smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
C=CCN(C(=O)c1cc(=O)n(C)[n-]1)[C@H](C)COC	ZINC000617583713	365687475	/nfs/dbraw/zinc/68/74/75/365687475.db2.gz	NZDNMFVYAWUDFU-SECBINFHSA-N	-1	0	253.302	0.789	20	30		CCEDRM
C=CCCNC(=O)N1C[C@H](C(=O)OC)CC[C@@H]1C(=O)[O-]	ZINC000600944547	362095469	/nfs/dbraw/zinc/09/54/69/362095469.db2.gz	UPZCMIURHCBEAW-NXEZZACHSA-N	-1	0	284.312	0.610	20	30		CCEDRM
C=CCC(C)(C)C(=O)NCCC(=O)[N-]S(C)(=O)=O	ZINC000294980371	199282205	/nfs/dbraw/zinc/28/22/05/199282205.db2.gz	SFQMWHMYFKLJPR-UHFFFAOYSA-N	-1	0	276.358	0.171	20	30		CCEDRM
CC(C)(CC(=O)[O-])NS(=O)(=O)CCCCC#N	ZINC000573540455	334945388	/nfs/dbraw/zinc/94/53/88/334945388.db2.gz	NPOVRDZNXNCVNR-UHFFFAOYSA-N	-1	0	262.331	0.853	20	30		CCEDRM
N#Cc1c[n-][nH]c1=NC(=O)[C@@H]1CCCN1CC(F)(F)F	ZINC000601638405	362335951	/nfs/dbraw/zinc/33/59/51/362335951.db2.gz	HIYWXHFQHOTNDP-QMMMGPOBSA-N	-1	0	287.245	0.668	20	30		CCEDRM
CC(C)c1cc(C(=O)N=c2[nH][n-]cc2C#N)nn1C	ZINC000601639331	362336151	/nfs/dbraw/zinc/33/61/51/362336151.db2.gz	OLQMFVOLOYHRBJ-UHFFFAOYSA-N	-1	0	258.285	0.812	20	30		CCEDRM
Cc1ncc2n1C[C@@H](C(=O)N=c1[nH][n-]c(C)c1C#N)CC2	ZINC000601679649	362352741	/nfs/dbraw/zinc/35/27/41/362352741.db2.gz	MOCYPTIBEDUSHB-JTQLQIEISA-N	-1	0	284.323	0.718	20	30		CCEDRM
C=CCSCCNC(=O)C[C@]1(C(=O)[O-])CCOC1	ZINC000602006956	362454766	/nfs/dbraw/zinc/45/47/66/362454766.db2.gz	KJLHGVZVBUHMDS-GFCCVEGCSA-N	-1	0	273.354	0.903	20	30		CCEDRM
CC(C)[C@@H](C)N(C)C(=O)Cn1cc(C#N)c(=O)[n-]c1=O	ZINC000602053928	362469924	/nfs/dbraw/zinc/46/99/24/362469924.db2.gz	ZAAWGSOLJRVKGZ-SECBINFHSA-N	-1	0	278.312	0.323	20	30		CCEDRM
CC[C@H]1C[C@H](C)CN1C(=O)Cn1cc(C#N)c(=O)[n-]c1=O	ZINC000602107687	362494015	/nfs/dbraw/zinc/49/40/15/362494015.db2.gz	OJEQWANGMVHMLM-ONGXEEELSA-N	-1	0	290.323	0.468	20	30		CCEDRM
N#Cc1cn(CC(=O)N2CC[C@@H]3CCC[C@@H]32)c(=O)[n-]c1=O	ZINC000602138888	362519219	/nfs/dbraw/zinc/51/92/19/362519219.db2.gz	KGJYBYBHOQRAHS-ONGXEEELSA-N	-1	0	288.307	0.222	20	30		CCEDRM
Cc1[nH]nc(C(=O)N2CCN(CCC#N)CC2)c1[O-]	ZINC000602205270	362557181	/nfs/dbraw/zinc/55/71/81/362557181.db2.gz	BWLCVGSZTQZNQO-UHFFFAOYSA-N	-1	0	263.301	0.095	20	30		CCEDRM
C[C@@H]1[C@H](C(=O)[O-])CCN1S(=O)(=O)CCCC#N	ZINC000370294181	267307382	/nfs/dbraw/zinc/30/73/82/267307382.db2.gz	MGDQBGQIFZPDHE-RKDXNWHRSA-N	-1	0	260.315	0.415	20	30		CCEDRM
CCC[C@H](NC(=O)c1ccc(C#N)[nH]1)c1nnn[n-]1	ZINC000119623620	349944962	/nfs/dbraw/zinc/94/49/62/349944962.db2.gz	CEWZHIZSQIHGGP-QMMMGPOBSA-N	-1	0	259.273	0.671	20	30		CCEDRM
C[C@@H]1COCC[C@H]1NC(=O)N=c1[n-]n(C)cc1C#N	ZINC000617891602	365818373	/nfs/dbraw/zinc/81/83/73/365818373.db2.gz	UEXIVXKYBHCRTM-PSASIEDQSA-N	-1	0	263.301	0.260	20	30		CCEDRM
C[C@](O)(CNc1nc2ccccn2c1C#N)C(=O)[O-]	ZINC000263561348	137068596	/nfs/dbraw/zinc/06/85/96/137068596.db2.gz	RUGJJOYDURWXBU-LBPRGKRZSA-N	-1	0	260.253	0.453	20	30		CCEDRM
Cc1ncc(S(=O)(=O)[N-]c2nncs2)cc1C#N	ZINC000310837915	137073192	/nfs/dbraw/zinc/07/31/92/137073192.db2.gz	HDEHKCBFPNPVEX-UHFFFAOYSA-N	-1	0	281.322	0.914	20	30		CCEDRM
Cc1cc([N-]S(=O)(=O)c2cncc(C#N)c2)n(C)n1	ZINC000312125353	137076631	/nfs/dbraw/zinc/07/66/31/137076631.db2.gz	YWZAKSAEYGNXCA-UHFFFAOYSA-N	-1	0	277.309	0.796	20	30		CCEDRM
N#Cc1ccc(S(=O)(=O)[N-]c2ccncc2F)o1	ZINC000342489123	137097051	/nfs/dbraw/zinc/09/70/51/137097051.db2.gz	JDLWRLNQXYUEAX-UHFFFAOYSA-N	-1	0	267.241	0.908	20	30		CCEDRM
N#Cc1ncn(CCN=c2nc(C(F)(F)F)[n-]s2)n1	ZINC000343528299	137140255	/nfs/dbraw/zinc/14/02/55/137140255.db2.gz	SNJIDNJAKKDQHK-UHFFFAOYSA-N	-1	0	289.246	0.554	20	30		CCEDRM
Cc1nc(C[N-]S(=O)(=O)c2ccc(C#N)o2)no1	ZINC000344507081	137197925	/nfs/dbraw/zinc/19/79/25/137197925.db2.gz	CBNHIACMLOKOJG-UHFFFAOYSA-N	-1	0	268.254	0.321	20	30		CCEDRM
C[C@H](O)[C@@H](NC(=O)Nc1cccc(C#N)c1)C(=O)[O-]	ZINC000037010007	348178696	/nfs/dbraw/zinc/17/86/96/348178696.db2.gz	GMYNTJBPYUKBKI-OIBJUYFYSA-N	-1	0	263.253	0.514	20	30		CCEDRM
Cn1cc(C#N)c(=NC(=O)NCCC[C@@H]2CCOC2)[n-]1	ZINC000602883674	362862699	/nfs/dbraw/zinc/86/26/99/362862699.db2.gz	WYKIGJMKAUERAN-SNVBAGLBSA-N	-1	0	277.328	0.652	20	30		CCEDRM
C[C@@H]1CN(C(=O)N=c2cccn[n-]2)C[C@H](C)N1CC#N	ZINC000602883915	362863483	/nfs/dbraw/zinc/86/34/83/362863483.db2.gz	SDHJPCYEKFBUOK-PHIMTYICSA-N	-1	0	274.328	0.349	20	30		CCEDRM
C[C@@H]1CN(C(=O)N=c2[n-]n(C)cc2C#N)C[C@]1(C)CO	ZINC000602888352	362867486	/nfs/dbraw/zinc/86/74/86/362867486.db2.gz	SSTJWNGLYSRDPG-NOZJJQNGSA-N	-1	0	277.328	0.196	20	30		CCEDRM
N#Cc1ccc(NC(=O)NCCc2n[n-]c(=N)o2)cc1	ZINC000346647851	137296758	/nfs/dbraw/zinc/29/67/58/137296758.db2.gz	SFYXMSRSYFMDTO-UHFFFAOYSA-N	-1	0	272.268	0.718	20	30		CCEDRM
C[C@H](C(=O)[O-])N(C)C(=O)COc1ccc(C#N)cc1	ZINC000054052451	348539344	/nfs/dbraw/zinc/53/93/44/348539344.db2.gz	FGDKDITVMROVKI-SECBINFHSA-N	-1	0	262.265	0.869	20	30		CCEDRM
C[C@H](NC(=O)c1ccoc1)C(=O)Nc1nc(C#N)c(C#N)[n-]1	ZINC000052557370	348511728	/nfs/dbraw/zinc/51/17/28/348511728.db2.gz	CFWYBEIHKRRVQT-ZETCQYMHSA-N	-1	0	298.262	0.503	20	30		CCEDRM
C[C@H](CNS(=O)(=O)Cc1cccc(C#N)c1)C(=O)[O-]	ZINC000054333875	348550942	/nfs/dbraw/zinc/55/09/42/348550942.db2.gz	HYIMOLDNQPLEBC-SECBINFHSA-N	-1	0	282.321	0.698	20	30		CCEDRM
C#CCN(CC#C)C(=O)c1cc(C)c2c(=O)[n-]c(=O)nc-2[nH]1	ZINC000074226571	348981349	/nfs/dbraw/zinc/98/13/49/348981349.db2.gz	OXNSVNBVCPAVGQ-UHFFFAOYSA-N	-1	0	296.286	0.041	20	30		CCEDRM
Cc1nc(C(=O)Nc2nc(C#N)c(C#N)[n-]2)ccc1C#N	ZINC000073758870	348961330	/nfs/dbraw/zinc/96/13/30/348961330.db2.gz	AZOJHXWJLSXNHL-UHFFFAOYSA-N	-1	0	277.247	0.980	20	30		CCEDRM
N#Cc1cccc(C(=O)N[C@@]2(C(=O)[O-])CCOC2)c1	ZINC000085848820	349335880	/nfs/dbraw/zinc/33/58/80/349335880.db2.gz	ZTKQHHIVIRPCGJ-ZDUSSCGKSA-N	-1	0	260.249	0.532	20	30		CCEDRM
CSc1[n-]c(=O)c(C(=O)N[C@]2(C)CCOC2)cc1C#N	ZINC000127824784	350178305	/nfs/dbraw/zinc/17/83/05/350178305.db2.gz	PRRBQNNNKCAZPQ-CYBMUJFWSA-N	-1	0	293.348	0.877	20	30		CCEDRM
Cc1nn(C)c(C)c1S(=O)(=O)[N-]c1nn(C)cc1C#N	ZINC000121387470	186969111	/nfs/dbraw/zinc/96/91/11/186969111.db2.gz	LHFVBOZBQAFKCQ-UHFFFAOYSA-N	-1	0	294.340	0.443	20	30		CCEDRM
CCC[C@@H](NC(=O)c1ccnc(C#N)c1)c1nnn[n-]1	ZINC000193471714	351829381	/nfs/dbraw/zinc/82/93/81/351829381.db2.gz	BKCJGVWPTRQXMO-SNVBAGLBSA-N	-1	0	271.284	0.738	20	30		CCEDRM
CCC[C@H](NC(=O)c1ccnc(C#N)c1)c1nnn[n-]1	ZINC000193471701	351829516	/nfs/dbraw/zinc/82/95/16/351829516.db2.gz	BKCJGVWPTRQXMO-JTQLQIEISA-N	-1	0	271.284	0.738	20	30		CCEDRM
C=CCN(CC(=O)[O-])S(=O)(=O)c1c(Cl)cnn1C	ZINC000227866526	352060722	/nfs/dbraw/zinc/06/07/22/352060722.db2.gz	SDMBFOYKBMULLL-UHFFFAOYSA-N	-1	0	293.732	0.335	20	30		CCEDRM
Cn1cc(C#N)c([N-]S(=O)(=O)C[C@H]2CCCO2)n1	ZINC000134979117	187786364	/nfs/dbraw/zinc/78/63/64/187786364.db2.gz	QMFDWCARIJIPLS-SECBINFHSA-N	-1	0	270.314	0.212	20	30		CCEDRM
CC#CC[C@H](NS(=O)(=O)c1ccc(OC)cc1)C(=O)[O-]	ZINC000275059928	353182458	/nfs/dbraw/zinc/18/24/58/353182458.db2.gz	UNTLGTYCHMZOKQ-LBPRGKRZSA-N	-1	0	297.332	0.840	20	30		CCEDRM
CO[C@H](C)CS(=O)(=O)[N-]c1n[nH]c(C)c1C#N	ZINC000283857463	353533888	/nfs/dbraw/zinc/53/38/88/353533888.db2.gz	BAFRHTOKDPFAHB-ZCFIWIBFSA-N	-1	0	258.303	0.366	20	30		CCEDRM
Cc1n[n-]c(=NC(=O)c2ncc(C#N)cc2C)n1C	ZINC000556723298	291002358	/nfs/dbraw/zinc/00/23/58/291002358.db2.gz	QEWDAZUVLKGYJC-UHFFFAOYSA-N	-1	0	256.269	0.373	20	30		CCEDRM
CC(C)CN(CC(=O)[O-])S(=O)(=O)c1ccc(C#N)o1	ZINC000287705124	353663054	/nfs/dbraw/zinc/66/30/54/353663054.db2.gz	XTURQTCBKLTHKD-UHFFFAOYSA-N	-1	0	286.309	0.883	20	30		CCEDRM
COC(=O)[C@H]1CC[C@@H](NC(=O)N=c2[n-]n(C)cc2C#N)C1	ZINC000618994223	366140626	/nfs/dbraw/zinc/14/06/26/366140626.db2.gz	MSMSXXJOUBCOIR-WCBMZHEXSA-N	-1	0	291.311	0.177	20	30		CCEDRM
N#Cc1c[nH]nc1[N-]S(=O)(=O)c1cncc(C#N)c1	ZINC000336816385	355190422	/nfs/dbraw/zinc/19/04/22/355190422.db2.gz	LUGYNYZQSBSHEU-UHFFFAOYSA-N	-1	0	274.265	0.349	20	30		CCEDRM
Cc1nnc(N(C)Cc2n[n-]c(=O)o2)c(C#N)c1C	ZINC000425274772	235280019	/nfs/dbraw/zinc/28/00/19/235280019.db2.gz	BAZWIVPEPPBXSD-UHFFFAOYSA-N	-1	0	260.257	0.690	20	30		CCEDRM
CN(CC(=O)[O-])S(=O)(=O)c1cccc([N+](=O)[O-])c1C#N	ZINC000340183607	355517720	/nfs/dbraw/zinc/51/77/20/355517720.db2.gz	FXCYVARQAPOSTO-UHFFFAOYSA-N	-1	0	299.264	0.172	20	30		CCEDRM
N#Cc1nc(NC(=O)[C@@H]2C[C@]23CCOC3)[n-]c1C#N	ZINC000368128954	137942738	/nfs/dbraw/zinc/94/27/38/137942738.db2.gz	LNGPOILKELZPGN-MADCSZMMSA-N	-1	0	257.253	0.518	20	30		CCEDRM
Cn1ccc(S(=O)(=O)[N-]c2cc(C#N)ccn2)n1	ZINC000352873478	356100891	/nfs/dbraw/zinc/10/08/91/356100891.db2.gz	BMFNMSILYKPPEM-UHFFFAOYSA-N	-1	0	263.282	0.488	20	30		CCEDRM
CCc1n[n-]c(=NC(=O)NC2CCN(CC#N)CC2)s1	ZINC000609338408	363491139	/nfs/dbraw/zinc/49/11/39/363491139.db2.gz	BILOWWPECGFMAL-UHFFFAOYSA-N	-1	0	294.384	0.632	20	30		CCEDRM
N#CCn1c(C(=O)NCc2n[nH]c(=O)[n-]2)cc2ccccc21	ZINC000610494338	363568156	/nfs/dbraw/zinc/56/81/56/363568156.db2.gz	ADUCFDFLMYMBLF-UHFFFAOYSA-N	-1	0	296.290	0.919	20	30		CCEDRM
C#CCO[C@H](C)C(=O)Nc1n[nH]c(C(F)(F)F)n1	ZINC000294374382	199015473	/nfs/dbraw/zinc/01/54/73/199015473.db2.gz	CILIUUMMLWFOAB-RXMQYKEDSA-N	-1	0	262.191	0.800	20	30		CCEDRM
CC(C)(C)n1cc(C#N)c(=NC(=O)[C@H]2COCCO2)[n-]1	ZINC000408282082	358008715	/nfs/dbraw/zinc/00/87/15/358008715.db2.gz	TXRQFPSMOQYDSB-SNVBAGLBSA-N	-1	0	278.312	0.286	20	30		CCEDRM
C=CCOC[C@@H](NC(=O)NCc1csc(C)n1)C(=O)[O-]	ZINC000684716601	545727281	/nfs/dbraw/zinc/72/72/81/545727281.db2.gz	FQKDFPOYGKVIQA-SNVBAGLBSA-N	-1	0	299.352	0.907	20	30		CCEDRM
Cc1nnc(Sc2n[nH]c(CO)n2)c(C#N)c1C	ZINC000530352230	358394152	/nfs/dbraw/zinc/39/41/52/358394152.db2.gz	VNPOFJGSNDHOQE-UHFFFAOYSA-N	-1	0	262.298	0.727	20	30		CCEDRM
N#Cc1cccc(S(=O)(=O)N2C[C@@H]3C[C@]3(C(=O)[O-])C2)c1	ZINC000567974766	358619665	/nfs/dbraw/zinc/61/96/65/358619665.db2.gz	ASPVBUVDHQKNOP-GWCFXTLKSA-N	-1	0	292.316	0.653	20	30		CCEDRM
N#CC1(CS(=O)(=O)N[C@@H](CC(F)F)C(=O)[O-])CC1	ZINC000580809132	359095861	/nfs/dbraw/zinc/09/58/61/359095861.db2.gz	IMJGOQPXXXHIOI-LURJTMIESA-N	-1	0	282.268	0.318	20	30		CCEDRM
Cn1cc(C#N)c(=NC(=O)NCC[C@H](O)C(F)(F)F)[n-]1	ZINC000610876599	363624659	/nfs/dbraw/zinc/62/46/59/363624659.db2.gz	AOGZQGVAAANJOL-ZETCQYMHSA-N	-1	0	291.233	0.148	20	30		CCEDRM
COCC1(NC(=O)N=c2[n-]n(C)cc2C#N)CCC1	ZINC000585797271	359277918	/nfs/dbraw/zinc/27/79/18/359277918.db2.gz	NDDOSAGSYIEKHX-UHFFFAOYSA-N	-1	0	263.301	0.404	20	30		CCEDRM
CN(CCc1nccs1)C(=O)N=c1[n-]n(C)cc1C#N	ZINC000611075653	363656555	/nfs/dbraw/zinc/65/65/55/363656555.db2.gz	SQYUDDLPOZPGRF-UHFFFAOYSA-N	-1	0	290.352	0.877	20	30		CCEDRM
C=CCC[C@H](CO)NC(=O)NC[C@@H](C(=O)[O-])C(C)C	ZINC000655897220	412685004	/nfs/dbraw/zinc/68/50/04/412685004.db2.gz	UUXXPWQDLFLDSO-GHMZBOCLSA-N	-1	0	272.345	0.970	20	30		CCEDRM
Cc1cc(C#N)ccc1C(=O)N=c1[n-]nc2nc[nH]n21	ZINC000590380285	359446639	/nfs/dbraw/zinc/44/66/39/359446639.db2.gz	XGHZYFNHWFBORQ-UHFFFAOYSA-N	-1	0	267.252	0.307	20	30		CCEDRM
C=C[C@H](C(=O)OC)N1CCC[C@H](c2n[n-]c(=O)o2)C1	ZINC000590737008	359512349	/nfs/dbraw/zinc/51/23/49/359512349.db2.gz	IEFGWMLYTQTOTP-DTWKUNHWSA-N	-1	0	267.285	0.682	20	30		CCEDRM
CC1(C)CC[C@@H](C(=O)[O-])N1S(=O)(=O)CC1(C#N)CC1	ZINC000590898057	359535917	/nfs/dbraw/zinc/53/59/17/359535917.db2.gz	RMZCDECJTISGGG-VIFPVBQESA-N	-1	0	286.353	0.948	20	30		CCEDRM
CC#CC[C@H](CO)N=c1[n-]c(C(=O)OCC)cs1	ZINC000591998691	359724371	/nfs/dbraw/zinc/72/43/71/359724371.db2.gz	HUMCLLQQMPODNQ-SECBINFHSA-N	-1	0	268.338	0.928	20	30		CCEDRM
N#Cc1cccc(CNC(=O)C(=O)NCCCC(=O)[O-])c1	ZINC000592439651	359841780	/nfs/dbraw/zinc/84/17/80/359841780.db2.gz	BUSAAFCOYZXQMN-UHFFFAOYSA-N	-1	0	289.291	0.155	20	30		CCEDRM
N#CCCCCNC(=O)C(=O)N[C@H]1CC[C@@H](C(=O)[O-])C1	ZINC000592440210	359842259	/nfs/dbraw/zinc/84/22/59/359842259.db2.gz	HCSUEJSLFCIVIC-ZJUUUORDSA-N	-1	0	281.312	0.166	20	30		CCEDRM
CCC[C@@H]1CN(C(=O)N=c2[n-]n(C)cc2C#N)CCO1	ZINC000611162050	363668499	/nfs/dbraw/zinc/66/84/99/363668499.db2.gz	OSUUJZJJFYXLTD-LLVKDONJSA-N	-1	0	277.328	0.746	20	30		CCEDRM
N#Cc1cccc(CNC(=O)c2n[nH]c(=O)[n-]c2=O)c1	ZINC000611218974	363685301	/nfs/dbraw/zinc/68/53/01/363685301.db2.gz	IMKAYXKCCYJMCE-UHFFFAOYSA-N	-1	0	271.236	0.084	20	30		CCEDRM
C[C@@H]1CCC[C@@](C#N)(NC(=O)c2n[nH]c(=O)[n-]c2=O)C1	ZINC000611219922	363685897	/nfs/dbraw/zinc/68/58/97/363685897.db2.gz	UYUTUZGKXCHVOR-JMCQJSRRSA-N	-1	0	277.284	0.485	20	30		CCEDRM
Cc1c(C#N)c(=NC(=O)[C@@H]2Cc3ccccc3O2)[n-]n1C	ZINC000592646926	359908350	/nfs/dbraw/zinc/90/83/50/359908350.db2.gz	OBRTUQAJDDVHNI-ZDUSSCGKSA-N	-1	0	282.303	0.964	20	30		CCEDRM
Cc1c(C#N)c(=NC(=O)[C@H](C)Cc2cnn(C)c2)[n-]n1C	ZINC000592648692	359908885	/nfs/dbraw/zinc/90/88/85/359908885.db2.gz	GZROIVQZNMOSRR-SECBINFHSA-N	-1	0	286.339	0.573	20	30		CCEDRM
Cc1c(C#N)c(=NC(=O)[C@@H]2O[C@@H](C)C[C@@H]2C)[n-]n1C	ZINC000592649244	359909020	/nfs/dbraw/zinc/90/90/20/359909020.db2.gz	LYVIPVOUWSDFSK-DKCNOQQISA-N	-1	0	262.313	0.774	20	30		CCEDRM
Cc1c(C#N)c(=NC(=O)[C@H]2CCc3cnn(C)c3C2)[n-]n1C	ZINC000592648648	359909522	/nfs/dbraw/zinc/90/95/22/359909522.db2.gz	DYHJBZVKHGNSGA-JTQLQIEISA-N	-1	0	298.350	0.499	20	30		CCEDRM
CCC(=O)N1CC[C@@H](C(=O)N=c2[n-]n(C)c(C)c2C#N)C1	ZINC000592654670	359910486	/nfs/dbraw/zinc/91/04/86/359910486.db2.gz	SKCCKJQIKBRIIR-SNVBAGLBSA-N	-1	0	289.339	0.219	20	30		CCEDRM
CCCn1cc(C(=O)N=c2[n-]n(C)c(C)c2C#N)nn1	ZINC000592655208	359910576	/nfs/dbraw/zinc/91/05/76/359910576.db2.gz	VWERGORQAFAXNO-UHFFFAOYSA-N	-1	0	273.300	0.276	20	30		CCEDRM
Cc1c(C#N)c(=NC(=O)c2cnc3n2CCCC3)[n-]n1C	ZINC000592655700	359910726	/nfs/dbraw/zinc/91/07/26/359910726.db2.gz	WWFJSCDFMFRPRH-UHFFFAOYSA-N	-1	0	284.323	0.807	20	30		CCEDRM
N#CC[C@]1(O)CCN(C(=O)c2cccc3n[nH]nc32)C1	ZINC000592848036	359953193	/nfs/dbraw/zinc/95/31/93/359953193.db2.gz	TULXMUOELHGPLO-ZDUSSCGKSA-N	-1	0	271.280	0.449	20	30		CCEDRM
CC(C)n1cnc(=NC(=O)c2ccc(C#N)cn2)[n-]1	ZINC000593234262	360054876	/nfs/dbraw/zinc/05/48/76/360054876.db2.gz	SDLLKIUXLHXIJA-UHFFFAOYSA-N	-1	0	256.269	0.800	20	30		CCEDRM
C[C@H](CC(=O)[O-])NS(=O)(=O)c1ccsc1C#N	ZINC000593251323	360055651	/nfs/dbraw/zinc/05/56/51/360055651.db2.gz	JFWPCFYUZNBDRH-ZCFIWIBFSA-N	-1	0	274.323	0.761	20	30		CCEDRM
C[C@@H](C(=O)[O-])C1(NS(=O)(=O)CCCC#N)CC1	ZINC000593273339	360059701	/nfs/dbraw/zinc/05/97/01/360059701.db2.gz	IHBCCQWIWAQMPP-QMMMGPOBSA-N	-1	0	260.315	0.463	20	30		CCEDRM
C[C@H]1CC[C@@H](C(=O)[O-])N1S(=O)(=O)CC1(CC#N)CC1	ZINC000594571270	360331929	/nfs/dbraw/zinc/33/19/29/360331929.db2.gz	PMKXWTYVKVOYBZ-UWVGGRQHSA-N	-1	0	286.353	0.948	20	30		CCEDRM
C[C@@H](CC#N)[N-]S(=O)(=O)c1ncccc1[N+](=O)[O-]	ZINC000594751850	360375721	/nfs/dbraw/zinc/37/57/21/360375721.db2.gz	DWSGXPSNSVVUKK-ZETCQYMHSA-N	-1	0	270.270	0.570	20	30		CCEDRM
CSCCN(CC(=O)[O-])S(=O)(=O)CCCC#N	ZINC000594670807	360358811	/nfs/dbraw/zinc/35/88/11/360358811.db2.gz	MWXCHLRGRQBWTO-UHFFFAOYSA-N	-1	0	280.371	0.370	20	30		CCEDRM
CCN(C[C@@H](C)C#N)C(=O)CN(C)Cc1n[n-]c(=O)o1	ZINC000595546862	360574981	/nfs/dbraw/zinc/57/49/81/360574981.db2.gz	JQQKWCIDQRBBTI-VIFPVBQESA-N	-1	0	281.316	0.215	20	30		CCEDRM
C=CCCn1cc(CN2CCOC[C@@H]2C(=O)[O-])nn1	ZINC000655927970	412703945	/nfs/dbraw/zinc/70/39/45/412703945.db2.gz	JYCWNVCPSFAJMQ-LLVKDONJSA-N	-1	0	266.301	0.140	20	30		CCEDRM
Cc1cc(N2C[C@@H]3COC[C@]3(C(=O)[O-])C2)cc(C#N)n1	ZINC000595973741	360748714	/nfs/dbraw/zinc/74/87/14/360748714.db2.gz	RTDNEQFMYCNVBZ-QMTHXVAHSA-N	-1	0	273.292	0.799	20	30		CCEDRM
N#Cc1cnc(N[C@@H]2C[C@@H](C(=O)[O-])C[C@H]2O)c(F)c1	ZINC000595978090	360753389	/nfs/dbraw/zinc/75/33/89/360753389.db2.gz	KCWDWPCZBPHMMV-SZEHBUNVSA-N	-1	0	265.244	0.728	20	30		CCEDRM
N#Cc1ccc(NC[C@H](C(=O)[O-])C2CCC2)nc1N	ZINC000595978280	360754898	/nfs/dbraw/zinc/75/48/98/360754898.db2.gz	SWWOBOBGRJCTGK-JTQLQIEISA-N	-1	0	260.297	0.870	20	30		CCEDRM
C[C@@]1(C#N)CCN(C(=O)c2cnc(C(=O)[O-])cn2)C1	ZINC000595999374	360771429	/nfs/dbraw/zinc/77/14/29/360771429.db2.gz	JUBSWTCZRJZNMK-LBPRGKRZSA-N	-1	0	260.253	0.551	20	30		CCEDRM
N#CCCn1ccc(=NC(=O)NCC2(C(=O)[O-])CC2)[nH]1	ZINC000596060019	360784109	/nfs/dbraw/zinc/78/41/09/360784109.db2.gz	XQVOMIMIWFSMEP-UHFFFAOYSA-N	-1	0	277.284	0.205	20	30		CCEDRM
Cc1cc(C)n2[n-]c(=NC(=O)N3CC[C@](C)(C#N)C3)nc2n1	ZINC000596486691	360907202	/nfs/dbraw/zinc/90/72/02/360907202.db2.gz	NYUVHTRWHUGUTN-CQSZACIVSA-N	-1	0	299.338	0.931	20	30		CCEDRM
COC(=O)c1ccc(=NC(=O)N2CC[C@@](C)(C#N)C2)[n-]n1	ZINC000596889391	360973452	/nfs/dbraw/zinc/97/34/52/360973452.db2.gz	HRMZFJZVTDEYES-ZDUSSCGKSA-N	-1	0	289.295	0.453	20	30		CCEDRM
CC[C@@](C)(C#N)NC(=O)c1cc(S(N)(=O)=O)ccc1[O-]	ZINC000597041905	360999875	/nfs/dbraw/zinc/99/98/75/360999875.db2.gz	RCPZIIYNCDCROD-LBPRGKRZSA-N	-1	0	297.336	0.462	20	30		CCEDRM
CC(C)n1cc(C#N)c(=NC(=O)[C@@H]2C[C@@H]2C(=O)N(C)C)[n-]1	ZINC000564216609	291270989	/nfs/dbraw/zinc/27/09/89/291270989.db2.gz	WKIJDIZEZLTASI-MNOVXSKESA-N	-1	0	289.339	0.420	20	30		CCEDRM
C[C@]1(C#N)CCN(C(=O)c2c[nH]c3nc(=O)[n-]c(=O)c-3c2)C1	ZINC000598412935	361407130	/nfs/dbraw/zinc/40/71/30/361407130.db2.gz	QAOKEXYPCWFWPF-CQSZACIVSA-N	-1	0	299.290	0.812	20	30		CCEDRM
N#Cc1nc(NC(=O)Cn2cc(C3CC3)cn2)[n-]c1C#N	ZINC000598660662	361475213	/nfs/dbraw/zinc/47/52/13/361475213.db2.gz	BSGHWKLGIRXUCN-UHFFFAOYSA-N	-1	0	281.279	0.866	20	30		CCEDRM
CC(=O)N[C@@H](CCC(C)C)C(=O)N=c1[nH][n-]c(C)c1C#N	ZINC000598702524	361491377	/nfs/dbraw/zinc/49/13/77/361491377.db2.gz	ZRNDJVQJCKQOQF-LBPRGKRZSA-N	-1	0	291.355	0.891	20	30		CCEDRM
CO[C@@H](C(=O)N=c1[nH][n-]c(C2CC2)c1C#N)[C@H]1CCOC1	ZINC000598733804	361500903	/nfs/dbraw/zinc/50/09/03/361500903.db2.gz	FIOZFLCQDYUTLI-JOYOIKCWSA-N	-1	0	290.323	0.571	20	30		CCEDRM
CO[C@@H](C(=O)N=c1[n-]n(C)c(C)c1C#N)C1CCC1	ZINC000598841063	361524755	/nfs/dbraw/zinc/52/47/55/361524755.db2.gz	DBVCCFYNNAQDPN-LLVKDONJSA-N	-1	0	262.313	0.776	20	30		CCEDRM
COC(=O)COCCN=c1[n-]c(C#N)c(Cl)s1	ZINC000599159295	361591440	/nfs/dbraw/zinc/59/14/40/361591440.db2.gz	PQCYVTWGNXKCIT-UHFFFAOYSA-N	-1	0	275.717	0.692	20	30		CCEDRM
Cc1cc(N2CC(n3cc(C#N)c(=O)[n-]c3=O)C2)nc(C)n1	ZINC000599128505	361581542	/nfs/dbraw/zinc/58/15/42/361581542.db2.gz	MCYLXQZJGCDSQC-UHFFFAOYSA-N	-1	0	298.306	0.289	20	30		CCEDRM
C=CCCCNC(=O)C(=O)NC[C@H](C(=O)[O-])C(C)C	ZINC000655991048	412726039	/nfs/dbraw/zinc/72/60/39/412726039.db2.gz	KAGFVTMQQVSSPM-JTQLQIEISA-N	-1	0	270.329	0.542	20	30		CCEDRM
CN=c1[n-]nc(CC(=O)N[C@@]2(C#N)CCSC2)s1	ZINC000612737436	364002850	/nfs/dbraw/zinc/00/28/50/364002850.db2.gz	GMWWCTGAMQLJRL-SNVBAGLBSA-N	-1	0	283.382	0.060	20	30		CCEDRM
CN=c1[n-]nc(CC(=O)N2CCC[C@@](C)(C#N)C2)s1	ZINC000612758424	364008095	/nfs/dbraw/zinc/00/80/95/364008095.db2.gz	CRXBKCIKJCLCOJ-LBPRGKRZSA-N	-1	0	279.369	0.696	20	30		CCEDRM
C=CCN(C(=O)C(=O)NC[C@@H](C(=O)[O-])C(C)C)C1CC1	ZINC000656014479	412732962	/nfs/dbraw/zinc/73/29/62/412732962.db2.gz	VCLZBXOWLGHRCS-LLVKDONJSA-N	-1	0	282.340	0.636	20	30		CCEDRM
C=C[C@@](C)(O)C(=O)N=c1cc(-c2nccn2C)[n-][nH]1	ZINC000621925813	366929739	/nfs/dbraw/zinc/92/97/39/366929739.db2.gz	ONPYPUVKFKGQLC-GFCCVEGCSA-N	-1	0	261.285	0.108	20	30		CCEDRM
C=C[C@](C)(O)C(=O)N=c1nc(C2CCOCC2)[n-]s1	ZINC000629104056	369521159	/nfs/dbraw/zinc/52/11/59/369521159.db2.gz	AZQZDKCRSDINDL-LBPRGKRZSA-N	-1	0	283.353	0.730	20	30		CCEDRM
C=CCCS(=O)(=O)N[C@@H](C[C@@H]1CCCOC1)C(=O)[O-]	ZINC000629338711	369635253	/nfs/dbraw/zinc/63/52/53/369635253.db2.gz	PZNRWQOMDSAJJM-QWRGUYRKSA-N	-1	0	291.369	0.752	20	30		CCEDRM
CC#CC[C@@H](NS(=O)(=O)C1(C(C)C)CC1)C(=O)[O-]	ZINC000629295921	369623257	/nfs/dbraw/zinc/62/32/57/369623257.db2.gz	OQEWYTQDBWGYTL-SNVBAGLBSA-N	-1	0	273.354	0.961	20	30		CCEDRM
C=CCOC[C@@H](NC(=O)c1ccncc1)C(=O)[O-]	ZINC000630185750	369996341	/nfs/dbraw/zinc/99/63/41/369996341.db2.gz	FZICWNQAFZBEJE-SNVBAGLBSA-N	-1	0	250.254	0.467	20	30		CCEDRM
C=C(C)C[C@H](NC(=O)CCNC(=O)c1ccco1)C(=O)[O-]	ZINC000630318885	370045836	/nfs/dbraw/zinc/04/58/36/370045836.db2.gz	OEAYHRQCPXSOGF-JTQLQIEISA-N	-1	0	294.307	0.935	20	30		CCEDRM
C=CCOCCCNC(=O)[C@H]1C[C@@H](C)[C@H](C(=O)[O-])O1	ZINC000630206667	370007908	/nfs/dbraw/zinc/00/79/08/370007908.db2.gz	FQQZNKVRCYIXNR-GMTAPVOTSA-N	-1	0	271.313	0.574	20	30		CCEDRM
C=C(C)C[C@H](NC(=O)c1cccn(C)c1=O)C(=O)[O-]	ZINC000630320282	370045972	/nfs/dbraw/zinc/04/59/72/370045972.db2.gz	SHLGMZCUXVHJCY-JTQLQIEISA-N	-1	0	264.281	0.535	20	30		CCEDRM
C=CCOCCNC(=O)c1cncc(C(=O)[O-])c1	ZINC000630211952	370011093	/nfs/dbraw/zinc/01/10/93/370011093.db2.gz	RZOYVKMBAZCSIE-UHFFFAOYSA-N	-1	0	250.254	0.712	20	30		CCEDRM
C=C(C)C[C@@H](NC(=O)c1ccn2nnnc2c1)C(=O)[O-]	ZINC000630321326	370046999	/nfs/dbraw/zinc/04/69/99/370046999.db2.gz	HTQQXFHIEQPVOD-SECBINFHSA-N	-1	0	275.268	0.274	20	30		CCEDRM
C=CCCOCCNC(=O)c1cc(C(=O)[O-])nn1C	ZINC000630171017	369984812	/nfs/dbraw/zinc/98/48/12/369984812.db2.gz	QBJZDGRRSDFHIC-UHFFFAOYSA-N	-1	0	267.285	0.441	20	30		CCEDRM
C=C(C)C[C@H](NC(=O)CCc1cnn(C)c1)C(=O)[O-]	ZINC000630317221	370044587	/nfs/dbraw/zinc/04/45/87/370044587.db2.gz	MUPIWTJLAHWIHR-NSHDSACASA-N	-1	0	265.313	0.888	20	30		CCEDRM
C=CCOC[C@H](NC(=O)c1ccnc(N(C)C)c1)C(=O)[O-]	ZINC000630185590	369995340	/nfs/dbraw/zinc/99/53/40/369995340.db2.gz	DMWLERIMMOTSMR-NSHDSACASA-N	-1	0	293.323	0.533	20	30		CCEDRM
C=C(C)C[C@H](NS(=O)(=O)CCOCC1CC1)C(=O)[O-]	ZINC000630438119	370115844	/nfs/dbraw/zinc/11/58/44/370115844.db2.gz	MAOAPDNCRDKSQO-NSHDSACASA-N	-1	0	291.369	0.752	20	30		CCEDRM
C=C(C)C[C@H](NS(=O)(=O)[C@H]1COC(C)(C)C1)C(=O)[O-]	ZINC000630438620	370117377	/nfs/dbraw/zinc/11/73/77/370117377.db2.gz	UCMSDQBXMNFSKQ-ZJUUUORDSA-N	-1	0	291.369	0.893	20	30		CCEDRM
COCCS(=O)(=O)[N-]c1n[nH]c(C2CC2)c1C#N	ZINC000277097894	193553504	/nfs/dbraw/zinc/55/35/04/193553504.db2.gz	UWXDFLONADVTSC-UHFFFAOYSA-N	-1	0	270.314	0.547	20	30		CCEDRM
C=CCN(C(=O)[C@H](C)O[C@@H](C)C(=O)[O-])[C@@H](C)COC	ZINC000634930110	372300004	/nfs/dbraw/zinc/30/00/04/372300004.db2.gz	YNFMZPHTFZVZQJ-DCAQKATOSA-N	-1	0	273.329	0.914	20	30		CCEDRM
C=C(C)[C@@H]1OCC[C@H]1CNC(=O)NCCOCC(=O)[O-]	ZINC000635513756	372576800	/nfs/dbraw/zinc/57/68/00/372576800.db2.gz	CXTLZICFGZRSCP-JQWIXIFHSA-N	-1	0	286.328	0.368	20	30		CCEDRM
C=CCC[C@H](NC(=O)[C@@H](OC)[C@H]1CCOC1)C(=O)[O-]	ZINC000656492053	412813576	/nfs/dbraw/zinc/81/35/76/412813576.db2.gz	UPGBSMZEMPZKFE-DCAQKATOSA-N	-1	0	271.313	0.574	20	30		CCEDRM
C=CCOCCCNC(=O)N[C@@H](C(=O)[O-])C1CC1	ZINC000656595104	412833376	/nfs/dbraw/zinc/83/33/76/412833376.db2.gz	BWRBNBHZVFXGFI-SNVBAGLBSA-N	-1	0	256.302	0.742	20	30		CCEDRM
C=CCOC[C@@H](NC(=O)NC[C@]1(C)CC1(F)F)C(=O)[O-]	ZINC000656598322	412833689	/nfs/dbraw/zinc/83/36/89/412833689.db2.gz	AWYNQEARGHMJQD-KCJUWKMLSA-N	-1	0	292.282	0.987	20	30		CCEDRM
CN(CCC(=O)[O-])S(=O)(=O)c1ccc(F)cc1C#N	ZINC000261746356	190043297	/nfs/dbraw/zinc/04/32/97/190043297.db2.gz	VQIUJJZWMXKNNS-UHFFFAOYSA-N	-1	0	286.284	0.793	20	30		CCEDRM
C#CCO[N-]C(=O)C1=NN(c2ccccc2)[C@@H](C(C)=O)C1	ZINC000291160781	388918004	/nfs/dbraw/zinc/91/80/04/388918004.db2.gz	CIGSXIHAWKOLKE-CQSZACIVSA-N	-1	0	285.303	0.891	20	30		CCEDRM
C=CCCCS(=O)(=O)N[C@@H]1C=C[C@H](C(=O)[O-])C1	ZINC000291827775	388939785	/nfs/dbraw/zinc/93/97/85/388939785.db2.gz	FVRREAWUUFYPKU-VHSXEESVSA-N	-1	0	259.327	0.901	20	30		CCEDRM
C=CCN(CC(=O)[O-])S(=O)(=O)c1cncc(F)c1	ZINC000092463987	389028505	/nfs/dbraw/zinc/02/85/05/389028505.db2.gz	QXXVGXCJPGEBJP-UHFFFAOYSA-N	-1	0	274.273	0.482	20	30		CCEDRM
N#C[C@]1(NC(=O)c2cc([O-])cc([N+](=O)[O-])c2)CCOC1	ZINC000358437595	389149951	/nfs/dbraw/zinc/14/99/51/389149951.db2.gz	FMPNVMFAURUJPE-GFCCVEGCSA-N	-1	0	277.236	0.713	20	30		CCEDRM
N#Cc1cc(F)ccc1S(=O)(=O)NCC(=O)[O-]	ZINC000340451493	389158928	/nfs/dbraw/zinc/15/89/28/389158928.db2.gz	NQVGAJAJHXDQAV-UHFFFAOYSA-N	-1	0	258.230	0.060	20	30		CCEDRM
C#CCSCCNS(=O)(=O)c1cn(C)c(Cl)n1	ZINC000124250132	389160445	/nfs/dbraw/zinc/16/04/45/389160445.db2.gz	GHXAZQIXLQJQBJ-UHFFFAOYSA-N	-1	0	293.801	0.718	20	30		CCEDRM
Cc1cc([N-]S(=O)(=O)c2ccc(C#N)o2)nn1C	ZINC000340989007	389176549	/nfs/dbraw/zinc/17/65/49/389176549.db2.gz	XKGLRSISVIJFKP-UHFFFAOYSA-N	-1	0	266.282	0.994	20	30		CCEDRM
CCCc1nc(=NC(=O)N[C@@H]2CCC(=O)N(C)C2)s[n-]1	ZINC000330496091	389235682	/nfs/dbraw/zinc/23/56/82/389235682.db2.gz	XSLIGRKGTCZDNH-MRVPVSSYSA-N	-1	0	297.384	0.859	20	30		CCEDRM
C=CC[C@H](CO)CNC(=O)N=c1ccc(OC)n[n-]1	ZINC000346667840	389334344	/nfs/dbraw/zinc/33/43/44/389334344.db2.gz	GZCYRHOATPOWMZ-VIFPVBQESA-N	-1	0	266.301	0.213	20	30		CCEDRM
C=C(C)COCCNC(=O)N=c1ccc(OC)n[n-]1	ZINC000346675344	389334389	/nfs/dbraw/zinc/33/43/89/389334389.db2.gz	RSMRNBOUEDVSML-UHFFFAOYSA-N	-1	0	266.301	0.621	20	30		CCEDRM
COC[C@@](C)(NC(=O)c1ccc(CC#N)cc1)C(=O)[O-]	ZINC000262168104	389282238	/nfs/dbraw/zinc/28/22/38/389282238.db2.gz	NOIWJCKIMLZBAR-CQSZACIVSA-N	-1	0	276.292	0.972	20	30		CCEDRM
CCN(CCO)C([O-])=Nc1c(C)ccn(C)c1=O	ZINC000331018149	389285289	/nfs/dbraw/zinc/28/52/89/389285289.db2.gz	YWGYPLXBIVRVMY-UHFFFAOYSA-N	-1	0	253.302	0.553	20	30		CCEDRM
C[C@@H]1C[C@H](C(=O)[N-]S(=O)(=O)c2cncc(C#N)c2)CO1	ZINC000408489604	389367857	/nfs/dbraw/zinc/36/78/57/389367857.db2.gz	UPHCBLOQRKRGQR-SCZZXKLOSA-N	-1	0	295.320	0.183	20	30		CCEDRM
CC[C@@H](C)N(CC(=O)[O-])S(=O)(=O)CCCC#N	ZINC000348951817	389396948	/nfs/dbraw/zinc/39/69/48/389396948.db2.gz	WUWMRMQAEVNZGB-SECBINFHSA-N	-1	0	262.331	0.805	20	30		CCEDRM
CCCCc1n[n-]c(=NC(=O)NCC(=O)NCC#N)s1	ZINC000348062592	389363981	/nfs/dbraw/zinc/36/39/81/389363981.db2.gz	KVXLQOIUVBQFSH-UHFFFAOYSA-N	-1	0	296.356	0.064	20	30		CCEDRM
C[C@@H](CN1CCOCC1)C(=O)Nc1nc(C#N)c(C#N)[n-]1	ZINC000273135269	389474965	/nfs/dbraw/zinc/47/49/65/389474965.db2.gz	VRRMLSLMMWEIOS-VIFPVBQESA-N	-1	0	288.311	0.060	20	30		CCEDRM
COC1(CNS(=O)(=O)CC2(C#N)CC2)CCC1	ZINC000166373071	389441703	/nfs/dbraw/zinc/44/17/03/389441703.db2.gz	NJDJXNJAMYYBQO-UHFFFAOYSA-N	-1	0	258.343	0.779	20	30		CCEDRM
C=C[C@H](CO)NC(=O)N=c1[n-]nc(SCC)s1	ZINC000349908543	389457458	/nfs/dbraw/zinc/45/74/58/389457458.db2.gz	VIFZRRDBOAQDDL-ZCFIWIBFSA-N	-1	0	274.371	0.740	20	30		CCEDRM
C=CCCn1cc(C(=O)N[C@@H](COCC=C)C(=O)[O-])nn1	ZINC000425248560	389642551	/nfs/dbraw/zinc/64/25/51/389642551.db2.gz	CFVRTEXKESBDRJ-NSHDSACASA-N	-1	0	294.311	0.240	20	30		CCEDRM
C=C(C)CNC(=O)N=c1nc2nc(C)cc(C)n2[n-]1	ZINC000426064600	389663060	/nfs/dbraw/zinc/66/30/60/389663060.db2.gz	VHWLNOWTRDFCGJ-UHFFFAOYSA-N	-1	0	260.301	0.861	20	30		CCEDRM
CC[C@H](C(=O)[O-])N(C)S(=O)(=O)c1cnc(C)c(C#N)c1	ZINC000380637773	389764327	/nfs/dbraw/zinc/76/43/27/389764327.db2.gz	JPDYGIAMRGPHTK-LLVKDONJSA-N	-1	0	297.336	0.745	20	30		CCEDRM
CNC(=O)c1cccc(C(=O)N=c2[nH][n-]c(C)c2C#N)c1	ZINC000431692095	389864619	/nfs/dbraw/zinc/86/46/19/389864619.db2.gz	NSQCBATUXAJABT-UHFFFAOYSA-N	-1	0	283.291	0.624	20	30		CCEDRM
C=CCOC[C@@H](NC(=O)c1ncccc1O)C(=O)OC	ZINC000435945019	389967671	/nfs/dbraw/zinc/96/76/71/389967671.db2.gz	UCBITWKFPOPLGD-SECBINFHSA-N	-1	0	280.280	0.261	20	30		CCEDRM
C=CCCC[C@@H](C)NC(=O)C(=O)N1CC[C@@H](C(=O)[O-])C1	ZINC000420570718	390013282	/nfs/dbraw/zinc/01/32/82/390013282.db2.gz	WOUFXQDVBODKKL-GHMZBOCLSA-N	-1	0	282.340	0.781	20	30		CCEDRM
C#C[C@H](NC(=O)C(=O)N=c1ccc(OC)n[n-]1)C(C)(C)C	ZINC000491426634	390113298	/nfs/dbraw/zinc/11/32/98/390113298.db2.gz	HDGQEFDZCHTQSD-VIFPVBQESA-N	-1	0	290.323	0.010	20	30		CCEDRM
C#CCCS(=O)(=O)[N-]C(=O)/C=C\c1cncc(C)c1	ZINC000493612381	390127469	/nfs/dbraw/zinc/12/74/69/390127469.db2.gz	AOELWZBACDAPTJ-WAYWQWQTSA-N	-1	0	278.333	0.873	20	30		CCEDRM
C=CCn1cc(C(=O)N2CCC[C@H](C)[C@@H]2C(=O)[O-])nn1	ZINC000647743674	390156388	/nfs/dbraw/zinc/15/63/88/390156388.db2.gz	VVCPIHFDGHTEKM-GXSJLCMTSA-N	-1	0	278.312	0.789	20	30		CCEDRM
C=CCCO[C@H](C)C(=O)N[C@@H](C(=O)[O-])c1ccnn1C	ZINC000647773724	390167331	/nfs/dbraw/zinc/16/73/31/390167331.db2.gz	FNUINRNZSMRKRR-MWLCHTKSSA-N	-1	0	281.312	0.643	20	30		CCEDRM
C=CCCO[C@H](C)C(=O)Nc1ncn(CC(=O)[O-])n1	ZINC000647782227	390170608	/nfs/dbraw/zinc/17/06/08/390170608.db2.gz	ASBJRBUGWFJRTL-MRVPVSSYSA-N	-1	0	268.273	0.282	20	30		CCEDRM
Cn1[n-]nnc1=NCc1nc(-c2cccc(C#N)c2)c[nH]1	ZINC000540709736	390223090	/nfs/dbraw/zinc/22/30/90/390223090.db2.gz	KIUJSEJOQXKWAO-UHFFFAOYSA-N	-1	0	280.295	0.506	20	30		CCEDRM
C[C@@H](Sc1n[n-]c(=N)n1C)C(=O)N(C)CCC#N	ZINC000563820508	390494414	/nfs/dbraw/zinc/49/44/14/390494414.db2.gz	WJMAQDOZJYTRER-SSDOTTSWSA-N	-1	0	268.346	0.080	20	30		CCEDRM
C=CC[C@H](NS(=O)(=O)c1cnccc1C)C(=O)[O-]	ZINC000646041049	390580626	/nfs/dbraw/zinc/58/06/26/390580626.db2.gz	LHMZJSFSYKEQIU-VIFPVBQESA-N	-1	0	270.310	0.698	20	30		CCEDRM
N#Cc1c2c(cnc1NCCc1n[n-]c(=N)o1)CCC2	ZINC000566136388	390584708	/nfs/dbraw/zinc/58/47/08/390584708.db2.gz	HPNOOYLRUAXUTQ-UHFFFAOYSA-N	-1	0	270.296	0.314	20	30		CCEDRM
C=CCn1cc(C(=O)N[C@@H](CC(F)(F)F)C(=O)[O-])nn1	ZINC000649249847	390537528	/nfs/dbraw/zinc/53/75/28/390537528.db2.gz	RPYMIFRLLJYWKZ-LURJTMIESA-N	-1	0	292.217	0.600	20	30		CCEDRM
C=CCn1cc(C(=O)NC[C@@H](CCC)C(=O)[O-])nn1	ZINC000649251316	390538155	/nfs/dbraw/zinc/53/81/55/390538155.db2.gz	VKVKEFGINOKZTI-SECBINFHSA-N	-1	0	266.301	0.695	20	30		CCEDRM
C=C(C)CN(C)S(=O)(=O)c1cccnc1C(=O)[O-]	ZINC000645987042	390559459	/nfs/dbraw/zinc/55/94/59/390559459.db2.gz	ZQLLTNQMEGSGKP-UHFFFAOYSA-N	-1	0	270.310	0.976	20	30		CCEDRM
CC#CC[C@@H](CO)NC(=O)N=c1ccc(C2CC2)n[n-]1	ZINC000646310080	390663159	/nfs/dbraw/zinc/66/31/59/390663159.db2.gz	ROEQYKQPGJGNNT-NSHDSACASA-N	-1	0	274.324	0.672	20	30		CCEDRM
CC(C)[C@@H](CNS(=O)(=O)N(C)C[C@@H](C)C#N)C(=O)[O-]	ZINC000568001588	390711931	/nfs/dbraw/zinc/71/19/31/390711931.db2.gz	BTUZAZUKPOOTOF-VHSXEESVSA-N	-1	0	291.373	0.269	20	30		CCEDRM
CC[C@H](C(=O)[O-])N(C)S(=O)(=O)N(CC)C[C@H](C)C#N	ZINC000569228026	390716026	/nfs/dbraw/zinc/71/60/26/390716026.db2.gz	ZQIVFMILLFFPRS-NXEZZACHSA-N	-1	0	291.373	0.508	20	30		CCEDRM
N#CCC1(CNC(=O)N=c2nc3n([n-]2)CCCC3)CC1	ZINC000570020922	390717170	/nfs/dbraw/zinc/71/71/70/390717170.db2.gz	GUMOEDVRPHITTF-UHFFFAOYSA-N	-1	0	274.328	0.852	20	30		CCEDRM
CC(C)[C@H](CC(=O)[O-])NS(=O)(=O)N(C)C[C@H](C)C#N	ZINC000567276297	390685961	/nfs/dbraw/zinc/68/59/61/390685961.db2.gz	CTMIVHAXDVQIIJ-ZJUUUORDSA-N	-1	0	291.373	0.412	20	30		CCEDRM
COCc1nc(=NC(=O)c2ccnc(C#N)c2)s[n-]1	ZINC000356739496	144028546	/nfs/dbraw/zinc/02/85/46/144028546.db2.gz	GFJZJTDPTROFDT-UHFFFAOYSA-N	-1	0	275.293	0.625	20	30		CCEDRM
Cc1[n-][nH]c(=NC(=O)c2nc(C)c(C)nc2C)c1C#N	ZINC000357265994	144076180	/nfs/dbraw/zinc/07/61/80/144076180.db2.gz	XTEKGBZCLRKUJG-UHFFFAOYSA-N	-1	0	270.296	0.979	20	30		CCEDRM
CC(C)n1cc(C#N)c(=NC(=O)C(=O)N[C@@H]2CC[C@@H]2C)[n-]1	ZINC000357310009	144081267	/nfs/dbraw/zinc/08/12/67/144081267.db2.gz	NLTKMXXBMKYGCV-GXSJLCMTSA-N	-1	0	289.339	0.611	20	30		CCEDRM
CC(C)n1cc(C#N)c(=NC(=O)C(=O)N[C@@H]2CC[C@H]2C)[n-]1	ZINC000357310015	144081396	/nfs/dbraw/zinc/08/13/96/144081396.db2.gz	NLTKMXXBMKYGCV-MWLCHTKSSA-N	-1	0	289.339	0.611	20	30		CCEDRM
Cc1[nH]nc([N-]S(=O)(=O)c2cncc(C#N)c2)c1C#N	ZINC000357372494	144086246	/nfs/dbraw/zinc/08/62/46/144086246.db2.gz	PUKIZMWKKADYQB-UHFFFAOYSA-N	-1	0	288.292	0.657	20	30		CCEDRM
N#Cc1c[nH]c(C(=O)NC2(c3nnn[n-]3)CCCC2)c1	ZINC000360101806	397472783	/nfs/dbraw/zinc/47/27/83/397472783.db2.gz	NLASDZOWIZJDHU-UHFFFAOYSA-N	-1	0	271.284	0.599	20	30		CCEDRM
CC(C)n1cc(C#N)c(=NC(=O)C(=O)NCC2(C)CC2)[n-]1	ZINC000359236480	144204794	/nfs/dbraw/zinc/20/47/94/144204794.db2.gz	BBFKJZXBBTZLOY-UHFFFAOYSA-N	-1	0	289.339	0.612	20	30		CCEDRM
N#CCC1(CS(=O)(=O)N2CCC[C@H]2CC(=O)[O-])CC1	ZINC000593269673	397584900	/nfs/dbraw/zinc/58/49/00/397584900.db2.gz	NQTQFFGGBIZQPK-JTQLQIEISA-N	-1	0	286.353	0.949	20	30		CCEDRM
C=C(C)[C@@H](CC(=O)N=c1ccc(C(=O)NC)n[n-]1)OCC	ZINC000650818093	397766092	/nfs/dbraw/zinc/76/60/92/397766092.db2.gz	WZDQJGXUOZTTQR-LLVKDONJSA-N	-1	0	292.339	0.568	20	30		CCEDRM
N#Cc1ccc(S(=O)(=O)NCCCC(=O)[O-])c(F)c1	ZINC000548210894	286016856	/nfs/dbraw/zinc/01/68/56/286016856.db2.gz	UUJOCUZIKBVEBV-UHFFFAOYSA-N	-1	0	286.284	0.840	20	30		CCEDRM
C=CCOC[C@@H](NC(=O)[C@H](OC)C1CCCC1)C(=O)[O-]	ZINC000659155944	413317398	/nfs/dbraw/zinc/31/73/98/413317398.db2.gz	GYCWOYCIAGNGPT-VXGBXAGGSA-N	-1	0	285.340	0.964	20	30		CCEDRM
C=CCOC[C@H](NC(=O)c1c(C2CC2)cnn1C)C(=O)[O-]	ZINC000659157936	413318683	/nfs/dbraw/zinc/31/86/83/413318683.db2.gz	XZIWOBWCKPSOEO-NSHDSACASA-N	-1	0	293.323	0.683	20	30		CCEDRM
C=CCn1cc(C(=O)N[C@@H]2CCC[C@@]2(C)C(=O)[O-])nn1	ZINC000659243197	413352572	/nfs/dbraw/zinc/35/25/72/413352572.db2.gz	SXEVLJNKVSFCDL-ZWNOBZJWSA-N	-1	0	278.312	0.837	20	30		CCEDRM
C=CCCNC(=O)C(=O)NCCC(C)(C)C(=O)[O-]	ZINC000659658713	413757884	/nfs/dbraw/zinc/75/78/84/413757884.db2.gz	BUWFACXTJWCRHE-UHFFFAOYSA-N	-1	0	256.302	0.296	20	30		CCEDRM
C[C@H](CC(=O)[O-])NS(=O)(=O)Cc1cccc(C#N)c1	ZINC000037463842	173225182	/nfs/dbraw/zinc/22/51/82/173225182.db2.gz	ZEBSJOTVONWUQE-SECBINFHSA-N	-1	0	282.321	0.841	20	30		CCEDRM
N#Cc1ccc(S(=O)(=O)N(CC(=O)[O-])C2CC2)cc1	ZINC000037592454	173541027	/nfs/dbraw/zinc/54/10/27/173541027.db2.gz	BLCHWNVIDMHICT-UHFFFAOYSA-N	-1	0	280.305	0.796	20	30		CCEDRM
C[C@@H](CC(=O)[O-])NS(=O)(=O)c1ccc(F)c(C#N)c1	ZINC000071238454	176094071	/nfs/dbraw/zinc/09/40/71/176094071.db2.gz	DSIVAWLVSDYLHE-ZETCQYMHSA-N	-1	0	286.284	0.839	20	30		CCEDRM
C[C@@]1(NC(=O)N=c2cn[n-]s2)CCS(=O)(=O)C1	ZINC000330003928	227011468	/nfs/dbraw/zinc/01/14/68/227011468.db2.gz	CEOZIFRCEWCFHD-MRVPVSSYSA-N	-1	0	276.343	0.250	20	30		CCEDRM
O=C(N=c1cn[n-]s1)NC[C@@H](O)C1CCOCC1	ZINC000330270725	228086789	/nfs/dbraw/zinc/08/67/89/228086789.db2.gz	USCBXUDAALCBKP-MRVPVSSYSA-N	-1	0	272.330	0.652	20	30		CCEDRM
C=C(C)CN(C)S(=O)(=O)c1cnn(CC(=O)[O-])c1	ZINC000135287944	544634963	/nfs/dbraw/zinc/63/49/63/544634963.db2.gz	IDXLIMYRROZQDA-UHFFFAOYSA-N	-1	0	273.314	0.164	20	30		CCEDRM
CS(=O)(=O)[N-]C(=O)[C@H]1CC(=O)N(CC(F)(F)F)C1	ZINC000069539630	260150402	/nfs/dbraw/zinc/15/04/02/260150402.db2.gz	KEGFCMUHUHYSDM-YFKPBYRVSA-N	-1	0	288.247	0.313	20	30		CCEDRM
CCN(C[C@H](C)C#N)S(=O)(=O)c1cc(C(=O)[O-])n(C)c1	ZINC000037838153	260657506	/nfs/dbraw/zinc/65/75/06/260657506.db2.gz	VSMAOHYZRBMHAL-SECBINFHSA-N	-1	0	299.352	0.894	20	30		CCEDRM
N#CCCCCS(=O)(=O)N[C@@H]1C=C[C@H](C(=O)[O-])C1	ZINC000275085084	263032519	/nfs/dbraw/zinc/03/25/19/263032519.db2.gz	ZLGHORXBHWDOKS-VHSXEESVSA-N	-1	0	272.326	0.629	20	30		CCEDRM
C=CCN=c1[n-]nc(S(=O)(=O)C[C@@H](O)CC)s1	ZINC000453015631	263177121	/nfs/dbraw/zinc/17/71/21/263177121.db2.gz	HLPTYHUOMWXWOQ-ZETCQYMHSA-N	-1	0	277.371	0.103	20	30		CCEDRM
CCCc1nc(=NC(=O)NCc2nnc(C)n2C)s[n-]1	ZINC000330815595	264045368	/nfs/dbraw/zinc/04/53/68/264045368.db2.gz	BVPVZCGXQJVOGY-UHFFFAOYSA-N	-1	0	295.372	0.876	20	30		CCEDRM
C[C@H](CC[S@@](C)=O)NC(=O)N=c1[n-]ncs1	ZINC000330957221	264088199	/nfs/dbraw/zinc/08/81/99/264088199.db2.gz	VMIRXQSFZUDTDU-ADNUTGFCSA-N	-1	0	262.360	0.443	20	30		CCEDRM
C[C@H](CC[S@](C)=O)NC(=O)N=c1[n-]ncs1	ZINC000330957222	264088207	/nfs/dbraw/zinc/08/82/07/264088207.db2.gz	VMIRXQSFZUDTDU-KXHHVGMCSA-N	-1	0	262.360	0.443	20	30		CCEDRM
Cn1cc(C(=O)NC2(CCO)CCCCC2)c(=O)[nH]c1=O	ZINC000330961718	264088756	/nfs/dbraw/zinc/08/87/56/264088756.db2.gz	LPZAJNNCSMKKQQ-UHFFFAOYSA-N	-1	0	295.339	0.876	20	30		CCEDRM
C[C@@H](C[S@](C)=O)N(C)C(=O)N=c1cn[n-]s1	ZINC000331133947	264134553	/nfs/dbraw/zinc/13/45/53/264134553.db2.gz	CDZVYUBBWDJUSS-MUCOVADDSA-N	-1	0	262.360	0.782	20	30		CCEDRM
COC(=O)C1CCN(C([O-])=Nc2cccn(C)c2=O)CC1	ZINC000331171597	264146783	/nfs/dbraw/zinc/14/67/83/264146783.db2.gz	OIJRMBZVYGPHII-UHFFFAOYSA-N	-1	0	293.323	0.816	20	30		CCEDRM
CCN(C[C@H](C)C#N)S(=O)(=O)N(C)CCCC(=O)[O-]	ZINC000417416438	264236248	/nfs/dbraw/zinc/23/62/48/264236248.db2.gz	IKVBBUJCLGUEAD-SNVBAGLBSA-N	-1	0	291.373	0.509	20	30		CCEDRM
C[C@H](CN(C)S(=O)(=O)CC1(C#N)CCC1)C(=O)[O-]	ZINC000417447539	264281459	/nfs/dbraw/zinc/28/14/59/264281459.db2.gz	QCJKAGLZBLRYKV-SECBINFHSA-N	-1	0	274.342	0.663	20	30		CCEDRM
C=C[C@@H](CO)NC(=O)c1nn(-c2cccc(F)c2)cc1[O-]	ZINC000356876017	266201703	/nfs/dbraw/zinc/20/17/03/266201703.db2.gz	RKTUBINTSVZACL-JTQLQIEISA-N	-1	0	291.282	0.994	20	30		CCEDRM
C=CCN=c1[n-]nc(S(=O)(=O)CCCOC)s1	ZINC000358733491	266490660	/nfs/dbraw/zinc/49/06/60/266490660.db2.gz	ASDNXEXXHZGEMD-UHFFFAOYSA-N	-1	0	277.371	0.368	20	30		CCEDRM
CC[C@@]1(C(=O)[O-])CCN(S(=O)(=O)CCCC#N)C1	ZINC000370420096	267317901	/nfs/dbraw/zinc/31/79/01/267317901.db2.gz	DUEFZRIKYBDZKU-LLVKDONJSA-N	-1	0	274.342	0.807	20	30		CCEDRM
C=CCOCCNC(=O)c1cccc(C(=O)[O-])n1	ZINC000381050334	545084422	/nfs/dbraw/zinc/08/44/22/545084422.db2.gz	QOVHFOKGCNAFAE-UHFFFAOYSA-N	-1	0	250.254	0.712	20	30		CCEDRM
COc1ccc(=NC(=O)N[C@@H]2CCC[C@H]2C#N)[n-]n1	ZINC000346679118	295073841	/nfs/dbraw/zinc/07/38/41/295073841.db2.gz	ZBZPWEDVHRONOE-DTWKUNHWSA-N	-1	0	261.285	0.721	20	30		CCEDRM
Cc1c([N-]S(=O)(=O)CCC(C)(C)C#N)nnn1C	ZINC000563222336	327980375	/nfs/dbraw/zinc/98/03/75/327980375.db2.gz	LYQAYLWSKYIYEM-UHFFFAOYSA-N	-1	0	271.346	0.805	20	30		CCEDRM
C=C(C)CS(=O)(=O)N[C@@H](C(=O)[O-])[C@@H](C)C1CC1	ZINC000569367645	327167514	/nfs/dbraw/zinc/16/75/14/327167514.db2.gz	JWOBHGCOOOLXHT-WCBMZHEXSA-N	-1	0	261.343	0.981	20	30		CCEDRM
C=CCCS(=O)(=O)N1C[C@H](C)O[C@@H](C)[C@H]1C(=O)[O-]	ZINC000574813172	327381856	/nfs/dbraw/zinc/38/18/56/327381856.db2.gz	SERLUWJVINRXNT-GUBZILKMSA-N	-1	0	277.342	0.455	20	30		CCEDRM
C[C@@H](C#N)CN(C)S(=O)(=O)N[C@H](C)CCCC(=O)[O-]	ZINC000572770065	327603568	/nfs/dbraw/zinc/60/35/68/327603568.db2.gz	GAHLUBLHRAQQDL-VHSXEESVSA-N	-1	0	291.373	0.556	20	30		CCEDRM
C[C@H]1CN(S(=O)(=O)CC2(C#N)CC2)CC[C@@H]1C(=O)[O-]	ZINC000526944187	328815735	/nfs/dbraw/zinc/81/57/35/328815735.db2.gz	BHMZNGDEULOFEU-UWVGGRQHSA-N	-1	0	286.353	0.663	20	30		CCEDRM
C=C(C)CS(=O)(=O)N1CCC[C@@H]([C@H](O)C(=O)[O-])C1	ZINC000584540802	329519378	/nfs/dbraw/zinc/51/93/78/329519378.db2.gz	LCLVTHRSGCQIAW-ZJUUUORDSA-N	-1	0	277.342	0.050	20	30		CCEDRM
C=CCC1(C(=O)N[C@@H](COC)C(=O)[O-])CCOCC1	ZINC000425240216	329646940	/nfs/dbraw/zinc/64/69/40/329646940.db2.gz	LTIYEUCCHQDLDY-JTQLQIEISA-N	-1	0	271.313	0.575	20	30		CCEDRM
C=C[C@@H]1OCCC[C@H]1C(=O)NC[C@H](OC)C(=O)[O-]	ZINC000425230489	329647270	/nfs/dbraw/zinc/64/72/70/329647270.db2.gz	CFWMYRUNJISCPZ-UTLUCORTSA-N	-1	0	257.286	0.183	20	30		CCEDRM
C=CCSCCNC(=O)N[C@@H](CF)C(=O)[O-]	ZINC000581056011	330004291	/nfs/dbraw/zinc/00/42/91/330004291.db2.gz	ABMJXYRMZJRFJI-ZETCQYMHSA-N	-1	0	250.295	0.628	20	30		CCEDRM
N#CCCCS(=O)(=O)N1CCC[C@H](C(=O)[O-])C1	ZINC000262340652	330007088	/nfs/dbraw/zinc/00/70/88/330007088.db2.gz	AGBHOIIVYAOCOX-VIFPVBQESA-N	-1	0	260.315	0.417	20	30		CCEDRM
C=CCOC[C@H](NC(=O)CCCSC)C(=O)[O-]	ZINC000262894712	330036361	/nfs/dbraw/zinc/03/63/61/330036361.db2.gz	DGGOJHLTXUCQIA-VIFPVBQESA-N	-1	0	261.343	0.902	20	30		CCEDRM
C=CCOC[C@H](NC(=O)Cn1nc(C)cc1C)C(=O)[O-]	ZINC000262919549	330037007	/nfs/dbraw/zinc/03/70/07/330037007.db2.gz	GBIQAVDKWIJHCJ-NSHDSACASA-N	-1	0	281.312	0.272	20	30		CCEDRM
C=CCOC[C@H](NC(=O)c1cc(OC)ccc1O)C(=O)[O-]	ZINC000262978259	330037972	/nfs/dbraw/zinc/03/79/72/330037972.db2.gz	KLTYAYHMBALAOJ-NSHDSACASA-N	-1	0	295.291	0.786	20	30		CCEDRM
C=CCOC[C@@H](NC(=O)COc1ccccc1)C(=O)[O-]	ZINC000263045793	330040527	/nfs/dbraw/zinc/04/05/27/330040527.db2.gz	PNFAWAYZFZBIIP-GFCCVEGCSA-N	-1	0	279.292	0.837	20	30		CCEDRM
C=CCOc1cccnc1C(=O)N[C@@H](CF)C(=O)[O-]	ZINC000263056945	330041254	/nfs/dbraw/zinc/04/12/54/330041254.db2.gz	WXPWWGWFBYGKTR-QMMMGPOBSA-N	-1	0	268.244	0.799	20	30		CCEDRM
C=CC[C@H](NS(=O)(=O)CCCCF)C(=O)[O-]	ZINC000287241339	330060575	/nfs/dbraw/zinc/06/05/75/330060575.db2.gz	OUENFNITWPKDRQ-QMMMGPOBSA-N	-1	0	253.295	0.685	20	30		CCEDRM
CC(C)C[C@H](NS(=O)(=O)N(C)C[C@@H](C)C#N)C(=O)[O-]	ZINC000263569302	330062147	/nfs/dbraw/zinc/06/21/47/330062147.db2.gz	ZHKSDPMYAWRPTQ-UWVGGRQHSA-N	-1	0	291.373	0.412	20	30		CCEDRM
C=C(C)CN(CC)C(=O)C(=O)N1CC[C@@](C)(C(=O)[O-])C1	ZINC000422716636	330151899	/nfs/dbraw/zinc/15/18/99/330151899.db2.gz	UTRXXKHTUCAPDT-CQSZACIVSA-N	-1	0	282.340	0.734	20	30		CCEDRM
C=C(C)CN(C)C(=O)C(=O)N1CC[C@](C)(C(=O)[O-])C1	ZINC000422856226	330157778	/nfs/dbraw/zinc/15/77/78/330157778.db2.gz	DYDKTMWPGLPUNC-ZDUSSCGKSA-N	-1	0	268.313	0.344	20	30		CCEDRM
C=CCCN(C)C(=O)C(=O)N1C[C@@H]2CCC[C@@]2(C(=O)[O-])C1	ZINC000422875819	330158670	/nfs/dbraw/zinc/15/86/70/330158670.db2.gz	PLHYXMIYPPLBOB-XHDPSFHLSA-N	-1	0	294.351	0.734	20	30		CCEDRM
C=CCN(C(=O)C(=O)N1CC[C@](C)(C(=O)[O-])C1)C1CC1	ZINC000422915396	330160355	/nfs/dbraw/zinc/16/03/55/330160355.db2.gz	XZZXFFSRUBVINU-AWEZNQCLSA-N	-1	0	280.324	0.487	20	30		CCEDRM
C=CCCn1cc(C(=O)N[C@@H](C(=O)[O-])C(C)C)nn1	ZINC000424228803	330330718	/nfs/dbraw/zinc/33/07/18/330330718.db2.gz	VBJSXIZXZFFKOE-SNVBAGLBSA-N	-1	0	266.301	0.693	20	30		CCEDRM
C[C@H]1CCCN(S(=O)(=O)N(C)CCC#N)[C@@H]1C(=O)[O-]	ZINC000424366140	330347887	/nfs/dbraw/zinc/34/78/87/330347887.db2.gz	ILPWMMZNNHMTAK-UWVGGRQHSA-N	-1	0	289.357	0.262	20	30		CCEDRM
C=C[C@@H](CO)NC(=O)NC[C@H](CC(C)C)C(=O)[O-]	ZINC000424428095	330351740	/nfs/dbraw/zinc/35/17/40/330351740.db2.gz	WQSGTGPOQGQMMC-UWVGGRQHSA-N	-1	0	258.318	0.579	20	30		CCEDRM
CC(C)(CCNC(=O)C(=O)N1CCC(C#N)CC1)C(=O)[O-]	ZINC000424488550	330356636	/nfs/dbraw/zinc/35/66/36/330356636.db2.gz	MROGJQOIDWZBBT-UHFFFAOYSA-N	-1	0	295.339	0.366	20	30		CCEDRM
C=CC(C)(C)CNC(=O)Cc1n[n-]c(=NC)s1	ZINC000456117797	331184641	/nfs/dbraw/zinc/18/46/41/331184641.db2.gz	PIQGGCZBUHAWLK-UHFFFAOYSA-N	-1	0	254.359	0.873	20	30		CCEDRM
C#CCN(CC#CC)C(=O)c1ccc(C(=O)[O-])nc1	ZINC000491623745	332248251	/nfs/dbraw/zinc/24/82/51/332248251.db2.gz	QFDUJOHWMPZZNA-UHFFFAOYSA-N	-1	0	256.261	0.879	20	30		CCEDRM
C#C[C@H](NC(=O)c1n[nH]c(=O)[n-]1)c1ccc(F)cc1	ZINC000491641624	332261107	/nfs/dbraw/zinc/26/11/07/332261107.db2.gz	RQFVXZNJRPEJEI-VIFPVBQESA-N	-1	0	260.228	0.754	20	30		CCEDRM
C#C[C@@H]1COCCN1CC(=O)[N-]OCc1ccccc1	ZINC000491791656	332352580	/nfs/dbraw/zinc/35/25/80/332352580.db2.gz	ALWSJKDJEALSSV-CQSZACIVSA-N	-1	0	274.320	0.568	20	30		CCEDRM
C=CCOC[C@H](NC(=O)N[C@@H](C)CCOC)C(=O)[O-]	ZINC000575448577	335104640	/nfs/dbraw/zinc/10/46/40/335104640.db2.gz	SVVUMCVEYNIGRK-UWVGGRQHSA-N	-1	0	274.317	0.366	20	30		CCEDRM
C=CCOC[C@H](NS(=O)(=O)c1ccoc1)C(=O)[O-]	ZINC000566066216	334619550	/nfs/dbraw/zinc/61/95/50/334619550.db2.gz	HHWMZZPKKOPBTG-VIFPVBQESA-N	-1	0	275.282	0.214	20	30		CCEDRM
CC#CC[C@@H](NS(=O)(=O)CC(C)(C)OC)C(=O)[O-]	ZINC000517239466	333095649	/nfs/dbraw/zinc/09/56/49/333095649.db2.gz	QCFXXYWQOZUINP-SECBINFHSA-N	-1	0	277.342	0.197	20	30		CCEDRM
C[C@H](CC#N)N(C)S(=O)(=O)N1CC[C@@H](C(=O)[O-])[C@@H]1C	ZINC000517376511	333098391	/nfs/dbraw/zinc/09/83/91/333098391.db2.gz	LPLSZTKVXNPMFC-KXUCPTDWSA-N	-1	0	289.357	0.260	20	30		CCEDRM
Cc1cc(C(=O)NC[C@H](C)C#N)[nH]c2nc(=O)[n-]c(=O)c1-2	ZINC000525194596	333403101	/nfs/dbraw/zinc/40/31/01/333403101.db2.gz	MHCCQFSOPYJAFP-ZCFIWIBFSA-N	-1	0	287.279	0.634	20	30		CCEDRM
CCC(C#N)(CC)C(=O)[N-]S(=O)(=O)c1cn(C)c(C)n1	ZINC000529028121	333469379	/nfs/dbraw/zinc/46/93/79/333469379.db2.gz	CQCIQXNFDGJVIN-UHFFFAOYSA-N	-1	0	298.368	0.863	20	30		CCEDRM
C=CCC[C@H](NS(=O)(=O)[C@H]1CCO[C@H](C)C1)C(=O)[O-]	ZINC000576105186	335154599	/nfs/dbraw/zinc/15/45/99/335154599.db2.gz	OITWUYHIWHUPON-VWYCJHECSA-N	-1	0	291.369	0.893	20	30		CCEDRM
C[C@H]1SC[C@@H](C(=O)[O-])N1S(=O)(=O)CC1(C#N)CC1	ZINC000547892354	334129000	/nfs/dbraw/zinc/12/90/00/334129000.db2.gz	UHODKILTWUHQGJ-SFYZADRCSA-N	-1	0	290.366	0.468	20	30		CCEDRM
C[C@H](CCCCC(=O)[O-])NS(=O)(=O)N(C)CCC#N	ZINC000547901277	334129012	/nfs/dbraw/zinc/12/90/12/334129012.db2.gz	SQVPEEONBXJHJT-SNVBAGLBSA-N	-1	0	291.373	0.700	20	30		CCEDRM
CCN(C[C@@H](C)C(=O)[O-])S(=O)(=O)N(C)CCC#N	ZINC000547906718	334129209	/nfs/dbraw/zinc/12/92/09/334129209.db2.gz	UMZRGICQSKASPF-SECBINFHSA-N	-1	0	277.346	0.119	20	30		CCEDRM
CC[C@@H](C(=O)[O-])N(C)S(=O)(=O)CC1(C#N)CC1	ZINC000547909833	334129095	/nfs/dbraw/zinc/12/90/95/334129095.db2.gz	RFIGDXLTNICEPO-QMMMGPOBSA-N	-1	0	260.315	0.415	20	30		CCEDRM
C=CCN(CC(=O)[O-])S(=O)(=O)c1cnc(CC)s1	ZINC000547906331	334129135	/nfs/dbraw/zinc/12/91/35/334129135.db2.gz	KEITVTSOMCIXGW-UHFFFAOYSA-N	-1	0	290.366	0.967	20	30		CCEDRM
C=CCCS(=O)(=O)NC[C@@H](Cc1ccccn1)C(=O)[O-]	ZINC000548209363	334146548	/nfs/dbraw/zinc/14/65/48/334146548.db2.gz	HQIIRTKTJPCINI-LLVKDONJSA-N	-1	0	298.364	0.820	20	30		CCEDRM
CC[C@H](C)[C@@H](C(=O)[O-])N(C)S(=O)(=O)N(C)CCC#N	ZINC000548250802	334147131	/nfs/dbraw/zinc/14/71/31/334147131.db2.gz	ZBRCYHPQMGXTRE-UWVGGRQHSA-N	-1	0	291.373	0.508	20	30		CCEDRM
C[C@@H](CCNS(=O)(=O)N(C)CCC#N)CC(=O)[O-]	ZINC000548267914	334147669	/nfs/dbraw/zinc/14/76/69/334147669.db2.gz	STPQUEHPAPTJCR-VIFPVBQESA-N	-1	0	277.346	0.167	20	30		CCEDRM
C=CCCS(=O)(=O)N(CCOC)CCC(=O)[O-]	ZINC000548564975	334162609	/nfs/dbraw/zinc/16/26/09/334162609.db2.gz	IDFGUDWIIHSWRF-UHFFFAOYSA-N	-1	0	265.331	0.315	20	30		CCEDRM
C=C(C)CN(CC)S(=O)(=O)N1CCC[C@@H]1C(=O)[O-]	ZINC000576277203	335181137	/nfs/dbraw/zinc/18/11/37/335181137.db2.gz	UJDLULZGMZQXNL-SNVBAGLBSA-N	-1	0	276.358	0.678	20	30		CCEDRM
N#C[C@@H]1N(C(=O)c2n[nH]c(=O)[n-]2)CCC[C@]12CCCCO2	ZINC000565427176	334562764	/nfs/dbraw/zinc/56/27/64/334562764.db2.gz	ILOLRLDOJMRRCC-TVQRCGJNSA-N	-1	0	291.311	0.578	20	30		CCEDRM
C=C[C@H](CCC(=O)[O-])NS(=O)(=O)[C@H](C)CCOC	ZINC000576834090	335253556	/nfs/dbraw/zinc/25/35/56/335253556.db2.gz	KQGXRXXDVVAPFX-NXEZZACHSA-N	-1	0	279.358	0.750	20	30		CCEDRM
N#Cc1cncc(S(=O)(=O)N2CC[C@@H](CC(=O)[O-])C2)c1	ZINC000380525633	335993806	/nfs/dbraw/zinc/99/38/06/335993806.db2.gz	JMUOQSCJQPCKKI-VIFPVBQESA-N	-1	0	295.320	0.439	20	30		CCEDRM
Cc1c(S(=O)(=O)[N-]c2ncccc2C#N)cnn1C	ZINC000427779692	533938792	/nfs/dbraw/zinc/93/87/92/533938792.db2.gz	LRAVMMRGEVKYKN-UHFFFAOYSA-N	-1	0	277.309	0.796	20	30		CCEDRM
N#Cc1c2c(cnc1NCCCc1n[nH]c(=O)[n-]1)CCC2	ZINC000425236237	534767657	/nfs/dbraw/zinc/76/76/57/534767657.db2.gz	PPGYNNLZOMMYHC-UHFFFAOYSA-N	-1	0	284.323	0.732	20	30		CCEDRM
N#Cc1cc(NCCCc2nc(=O)[n-][nH]2)ccc1[N+](=O)[O-]	ZINC000157744673	526570919	/nfs/dbraw/zinc/57/09/19/526570919.db2.gz	PALOXTMOSXBZOF-UHFFFAOYSA-N	-1	0	288.267	0.923	20	30		CCEDRM
N#Cc1ccc(OCC(=O)N2CC[C@@H](C(=O)[O-])C2)cc1	ZINC000062118862	526671645	/nfs/dbraw/zinc/67/16/45/526671645.db2.gz	ZFPPILOMBDULJZ-LLVKDONJSA-N	-1	0	274.276	0.870	20	30		CCEDRM
CO[C@H](C)c1nc(=NCCn2cnc(C#N)n2)s[n-]1	ZINC000343535161	536497565	/nfs/dbraw/zinc/49/75/65/536497565.db2.gz	YKCYCMNTPMNCKQ-SSDOTTSWSA-N	-1	0	279.329	0.243	20	30		CCEDRM
C=CCOC[C@@H](NC(=O)[C@@H]1C[C@H]2CC[C@@H]1O2)C(=O)[O-]	ZINC000668290563	545171435	/nfs/dbraw/zinc/17/14/35/545171435.db2.gz	SXVLRIMYTQDCSQ-DBIOUOCHSA-N	-1	0	269.297	0.326	20	30		CCEDRM
C=CCOC[C@H](NC(=O)[C@@H]1CC[C@@H](CC)O1)C(=O)[O-]	ZINC000668289644	545171438	/nfs/dbraw/zinc/17/14/38/545171438.db2.gz	BZNJIHZTOAPCKO-VWYCJHECSA-N	-1	0	271.313	0.716	20	30		CCEDRM
CC(C)C[C@@H](CNC(=O)Cn1cnc(C#N)n1)C(=O)[O-]	ZINC000424242225	528318954	/nfs/dbraw/zinc/31/89/54/528318954.db2.gz	HEDYDNAPDODJDX-VIFPVBQESA-N	-1	0	279.300	0.013	20	30		CCEDRM
CCCc1nc(=NC(=O)N2CCO[C@H](C#N)C2)s[n-]1	ZINC000351018055	528688706	/nfs/dbraw/zinc/68/87/06/528688706.db2.gz	UBTUKSMSPWRTEY-MRVPVSSYSA-N	-1	0	281.341	0.669	20	30		CCEDRM
C=C(C)[C@H](CO)Sc1n[n-]c2nc(=O)c(C)nn12	ZINC000677132669	545358112	/nfs/dbraw/zinc/35/81/12/545358112.db2.gz	MCPUATGMXHAKNN-ZETCQYMHSA-N	-1	0	267.314	0.150	20	30		CCEDRM
C=CC[C@H](NS(=O)(=O)CC[C@H]1CCCO1)C(=O)[O-]	ZINC000681559020	545456134	/nfs/dbraw/zinc/45/61/34/545456134.db2.gz	XUHXQTFUXHSJIS-ZJUUUORDSA-N	-1	0	277.342	0.504	20	30		CCEDRM
C=CC[C@@H](NS(=O)(=O)c1cncn1CC)C(=O)[O-]	ZINC000681559028	545456154	/nfs/dbraw/zinc/45/61/54/545456154.db2.gz	XZDUJZJGIMCNES-MRVPVSSYSA-N	-1	0	273.314	0.211	20	30		CCEDRM
CCN(CCCNC(=O)N1CCO[C@@H](C#N)C1)C(=O)[O-]	ZINC000739417923	581133328	/nfs/dbraw/zinc/13/33/28/581133328.db2.gz	VURXDTSCLJNZIV-JTQLQIEISA-N	-1	0	284.316	0.310	20	30		CCEDRM
CCOCC(=O)[N-]S(=O)(=O)CC1(C#N)CCCC1	ZINC000779313628	581180473	/nfs/dbraw/zinc/18/04/73/581180473.db2.gz	REYXGLQPSIAGAY-UHFFFAOYSA-N	-1	0	274.342	0.553	20	30		CCEDRM
CC[C@@H](C)[C@H](NC(=O)[O-])C(=O)NC1CCN(CC#N)CC1	ZINC000739225752	581208325	/nfs/dbraw/zinc/20/83/25/581208325.db2.gz	FOOXQMPNHLZUCQ-PWSUYJOCSA-N	-1	0	296.371	0.773	20	30		CCEDRM
Cc1nnc(NN=Cc2c(Cl)cnn2C)[n-]c1=O	ZINC000780197612	581222085	/nfs/dbraw/zinc/22/20/85/581222085.db2.gz	NKHOTYLFPXMQDV-UHFFFAOYSA-N	-1	0	267.680	0.719	20	30		CCEDRM
CNC(=O)C(C#N)=C([O-])c1sc2nccn2c1C	ZINC000780311754	581224512	/nfs/dbraw/zinc/22/45/12/581224512.db2.gz	FBSLAELZIGUWSA-ZETCQYMHSA-N	-1	0	262.294	0.773	20	30		CCEDRM
COc1cncc(C([O-])=C(C#N)C(=O)N2CCCC2)n1	ZINC000791770641	581233258	/nfs/dbraw/zinc/23/32/58/581233258.db2.gz	ZPQMZTRHHQQLDA-VIFPVBQESA-N	-1	0	274.280	0.430	20	30		CCEDRM
CC(C)(C)n1cc(C([O-])=C(C#N)C(=O)NC2CC2)nn1	ZINC000791772217	581233374	/nfs/dbraw/zinc/23/33/74/581233374.db2.gz	ZVKCLOYSOMWNBL-SECBINFHSA-N	-1	0	275.312	0.634	20	30		CCEDRM
CC[C@H](NN=C(C)C(C)(C)n1cncn1)C(=O)[O-]	ZINC000793058475	581282811	/nfs/dbraw/zinc/28/28/11/581282811.db2.gz	UOQACJZGBSHLIP-VIFPVBQESA-N	-1	0	253.306	0.842	20	30		CCEDRM
CC[C@H](NN=C(C)C1CCS(=O)(=O)CC1)C(=O)[O-]	ZINC000793072858	581283125	/nfs/dbraw/zinc/28/31/25/581283125.db2.gz	WUDJQILGUQVKOT-JTQLQIEISA-N	-1	0	276.358	0.640	20	30		CCEDRM
COCCCNC(=O)C(C#N)=C([O-])c1ccnc(C)c1	ZINC000793122879	581284684	/nfs/dbraw/zinc/28/46/84/581284684.db2.gz	JNEBGEOMTWMGGQ-LBPRGKRZSA-N	-1	0	275.308	0.865	20	30		CCEDRM
Cn1ncc(C([O-])=C(C#N)C(=O)NCc2ccccc2)n1	ZINC000793127783	581285163	/nfs/dbraw/zinc/28/51/63/581285163.db2.gz	YAZAYZIXTJLLJX-LLVKDONJSA-N	-1	0	283.291	0.454	20	30		CCEDRM
COCC1(C(=O)[N-]S(=O)(=O)CCCC#N)CCC1	ZINC000793189541	581287518	/nfs/dbraw/zinc/28/75/18/581287518.db2.gz	ISQNUQPZLVZRIT-UHFFFAOYSA-N	-1	0	274.342	0.553	20	30		CCEDRM
CN(Cc1ccccc1)C(=O)C(C#N)=C([O-])c1cnn(C)n1	ZINC000793278549	581291954	/nfs/dbraw/zinc/29/19/54/581291954.db2.gz	CLKMPLHXWHYUCB-LBPRGKRZSA-N	-1	0	297.318	0.796	20	30		CCEDRM
CC1(C)CCC[C@@H]1NN=Cc1cn(CC(=O)[O-])nn1	ZINC000782290643	581295688	/nfs/dbraw/zinc/29/56/88/581295688.db2.gz	ZRCOGRZMOZQPKY-JTQLQIEISA-N	-1	0	265.317	0.865	20	30		CCEDRM
C=CCS(=O)(=O)[N-]C(=O)c1cc(C)[nH]c(=O)c1	ZINC000782623257	581314962	/nfs/dbraw/zinc/31/49/62/581314962.db2.gz	CKKWUZVIMZSIFY-UHFFFAOYSA-N	-1	0	256.283	0.341	20	30		CCEDRM
CO[C@H](C)CCC(=O)[N-]S(=O)(=O)CC(C)(C)C#N	ZINC000782631773	581316141	/nfs/dbraw/zinc/31/61/41/581316141.db2.gz	OIHNWTCLKNWLOU-SECBINFHSA-N	-1	0	276.358	0.797	20	30		CCEDRM
CC1(C(=O)[N-]S(=O)(=O)CC2(C#N)CCCC2)COC1	ZINC000782644395	581316951	/nfs/dbraw/zinc/31/69/51/581316951.db2.gz	DZFRGBAEZYGDIF-UHFFFAOYSA-N	-1	0	286.353	0.553	20	30		CCEDRM
C#CCOCCC(=O)Nc1ccc(-n2nn[n-]c2=O)cc1	ZINC000793948279	581322504	/nfs/dbraw/zinc/32/25/04/581322504.db2.gz	BTQKUMWPGQSWSC-UHFFFAOYSA-N	-1	0	287.279	0.346	20	30		CCEDRM
N#CCCn1ccc(NC(=O)COCCNC(=O)[O-])n1	ZINC000740307663	581323210	/nfs/dbraw/zinc/32/32/10/581323210.db2.gz	AAFDUUSCVJBTFX-UHFFFAOYSA-N	-1	0	281.272	0.019	20	30		CCEDRM
N#CCSCC(=O)N[C@H](CNC(=O)[O-])C1CC1	ZINC000740311398	581323435	/nfs/dbraw/zinc/32/34/35/581323435.db2.gz	UNHRXLTYZMJUDJ-MRVPVSSYSA-N	-1	0	257.315	0.406	20	30		CCEDRM
N#CCCn1ccc(NC(=O)[C@@H]2COCCN2C(=O)[O-])n1	ZINC000740308607	581323450	/nfs/dbraw/zinc/32/34/50/581323450.db2.gz	MGAZPQCFNAIUBX-VIFPVBQESA-N	-1	0	293.283	0.114	20	30		CCEDRM
C#CCC[NH+]1CCC(NC(=O)[C@@H]2CCCN2C(=O)[O-])CC1	ZINC000738457397	581331566	/nfs/dbraw/zinc/33/15/66/581331566.db2.gz	MXYKQNYBJYZKMZ-ZDUSSCGKSA-N	-1	0	293.367	0.733	20	30		CCEDRM
C=C(Cl)CNC(=O)C(=O)Nc1ccc(NC(=O)[O-])nc1	ZINC000738486019	581356735	/nfs/dbraw/zinc/35/67/35/581356735.db2.gz	YPRSJRRYJUJYNO-UHFFFAOYSA-N	-1	0	298.686	0.979	20	30		CCEDRM
C#CCOC(=O)CNS(=O)(=O)c1ccc(Cl)s1	ZINC000728341942	581359132	/nfs/dbraw/zinc/35/91/32/581359132.db2.gz	YROUVRGXSHTFIY-UHFFFAOYSA-N	-1	0	293.753	0.856	20	30		CCEDRM
C=CCNC(=O)NC(=O)CN1C[C@@H](C)N(C(=O)[O-])[C@@H](C)C1	ZINC000738494330	581361668	/nfs/dbraw/zinc/36/16/68/581361668.db2.gz	AMZLAOOXHHZEIH-AOOOYVTPSA-N	-1	0	298.343	0.071	20	30		CCEDRM
CC(C)(C#N)CC(=O)[N-]S(=O)(=O)Cc1cccnc1	ZINC000786487169	581442404	/nfs/dbraw/zinc/44/24/04/581442404.db2.gz	MZHNJGQYHJNUBX-UHFFFAOYSA-N	-1	0	281.337	0.967	20	30		CCEDRM
C=CCS(=O)(=O)[N-]C(=O)c1cnn(CC(F)(F)F)c1	ZINC000786966770	581454817	/nfs/dbraw/zinc/45/48/17/581454817.db2.gz	IECRWAZMKGPEFG-UHFFFAOYSA-N	-1	0	297.258	0.691	20	30		CCEDRM
CCc1occc1C([O-])=C(C#N)C(=O)NCCOC	ZINC000797548520	581468361	/nfs/dbraw/zinc/46/83/61/581468361.db2.gz	GPERRRVIYBOYFJ-JTQLQIEISA-N	-1	0	264.281	0.927	20	30		CCEDRM
N#Cc1cccnc1NCCNC(=O)CCCNC(=O)[O-]	ZINC000739142343	581511021	/nfs/dbraw/zinc/51/10/21/581511021.db2.gz	LCXFZSVSSFDTAW-UHFFFAOYSA-N	-1	0	291.311	0.529	20	30		CCEDRM
C[C@@H]1OC(C)(C)N(C(=O)[O-])[C@H]1C(=O)N(C)CCC#N	ZINC000739196152	581521468	/nfs/dbraw/zinc/52/14/68/581521468.db2.gz	DPVHHTALJZXARE-DTWKUNHWSA-N	-1	0	269.301	0.862	20	30		CCEDRM
CCC[C@@H](NC(=O)[O-])C(=O)N1CCO[C@H](C#N)C1	ZINC000739314503	581535135	/nfs/dbraw/zinc/53/51/35/581535135.db2.gz	UMCKTJGGLGLWFV-RKDXNWHRSA-N	-1	0	255.274	0.174	20	30		CCEDRM
CCN(CC#N)C(=O)CN(C[C@H]1CCCO1)C(=O)[O-]	ZINC000739384079	581543885	/nfs/dbraw/zinc/54/38/85/581543885.db2.gz	CDCZEXMMZHGPIR-SNVBAGLBSA-N	-1	0	269.301	0.517	20	30		CCEDRM
CCN(CC(=O)[C@H](C#N)C(=O)N1CCCC1)C(=O)[O-]	ZINC000739384991	581544044	/nfs/dbraw/zinc/54/40/44/581544044.db2.gz	OAPPYSWXUPXDFM-VIFPVBQESA-N	-1	0	267.285	0.318	20	30		CCEDRM
CCN(C[C@H](C)C#N)C(=O)CN(CCOC)C(=O)[O-]	ZINC000739403803	581547754	/nfs/dbraw/zinc/54/77/54/581547754.db2.gz	NFJXZQZGZAJVGY-SNVBAGLBSA-N	-1	0	271.317	0.621	20	30		CCEDRM
CNC(=O)C(C#N)=C([O-])c1cccc2c1O[C@@H](C)C(=O)N2	ZINC000729186198	581557654	/nfs/dbraw/zinc/55/76/54/581557654.db2.gz	FUISOEMQTPRFIS-IONNQARKSA-N	-1	0	287.275	0.474	20	30		CCEDRM
CCOc1ccc(C#N)cc1NC(=O)C(=O)NCC(=O)[O-]	ZINC000739494568	581563003	/nfs/dbraw/zinc/56/30/03/581563003.db2.gz	PPKYESQBQRHSAW-UHFFFAOYSA-N	-1	0	291.263	0.096	20	30		CCEDRM
CN(CC(=O)[C@H](C#N)C(=O)Nc1ccccc1)C(=O)[O-]	ZINC000739618087	581582070	/nfs/dbraw/zinc/58/20/70/581582070.db2.gz	WARSGMJNLLORPL-JTQLQIEISA-N	-1	0	275.264	0.944	20	30		CCEDRM
CN(CC(=O)OCC(=O)Nc1ccc(C#N)cc1)C(=O)[O-]	ZINC000739630292	581584159	/nfs/dbraw/zinc/58/41/59/581584159.db2.gz	AVJYGXQYCBGUDV-UHFFFAOYSA-N	-1	0	291.263	0.650	20	30		CCEDRM
C=CCCOCC(=O)[N-]S(=O)(=O)C1CCCC1	ZINC000754744776	581607578	/nfs/dbraw/zinc/60/75/78/581607578.db2.gz	ZJMCURPXVLCSHT-UHFFFAOYSA-N	-1	0	261.343	0.968	20	30		CCEDRM
C=CCOCC(=O)[N-]S(=O)(=O)C1CCCCC1	ZINC000729894053	581618999	/nfs/dbraw/zinc/61/89/99/581618999.db2.gz	OLBVUSMWUAHTNW-UHFFFAOYSA-N	-1	0	261.343	0.968	20	30		CCEDRM
CC#CCCCC(=O)[N-]S(=O)(=O)N(C)C(C)C	ZINC000767974046	581639614	/nfs/dbraw/zinc/63/96/14/581639614.db2.gz	QLUFZUNZAQQTSO-UHFFFAOYSA-N	-1	0	260.359	0.881	20	30		CCEDRM
CC#CCCCC(=O)[N-]S(=O)(=O)[C@H](C)COC	ZINC000767989502	581640071	/nfs/dbraw/zinc/64/00/71/581640071.db2.gz	MRZDFRRYKACAMY-SNVBAGLBSA-N	-1	0	261.343	0.661	20	30		CCEDRM
Cc1nnc(NN=Cc2cn(-c3ccccc3)nn2)[n-]c1=O	ZINC000755523998	581644008	/nfs/dbraw/zinc/64/40/08/581644008.db2.gz	KIFIMVFTTYHBLM-UHFFFAOYSA-N	-1	0	296.294	0.912	20	30		CCEDRM
CSCC[C@H](NC(=O)[O-])C(=O)N1CCO[C@H](C#N)C1	ZINC000740013464	581644651	/nfs/dbraw/zinc/64/46/51/581644651.db2.gz	OUOGSPZWORLLNK-BDAKNGLRSA-N	-1	0	287.341	0.127	20	30		CCEDRM
Cc1cc(C#N)ccc1S(=O)(=O)NCCCNC(=O)[O-]	ZINC000740053004	581648000	/nfs/dbraw/zinc/64/80/00/581648000.db2.gz	QHTQHAKKJXJSMR-UHFFFAOYSA-N	-1	0	297.336	0.803	20	30		CCEDRM
CN(CCNS(=O)(=O)Cc1cccc(C#N)c1)C(=O)[O-]	ZINC000739701183	581650744	/nfs/dbraw/zinc/65/07/44/581650744.db2.gz	NWGNOUJNQCSPAF-UHFFFAOYSA-N	-1	0	297.336	0.587	20	30		CCEDRM
N#CC1(C(=O)N[C@@H]2CCC[C@H]2CNC(=O)[O-])CCOCC1	ZINC000740308798	581663393	/nfs/dbraw/zinc/66/33/93/581663393.db2.gz	CBFWLWAOXFCTDX-WDEREUQCSA-N	-1	0	295.339	0.859	20	30		CCEDRM
N#C[C@H]1CN(C(=O)NC[C@H]2CCCCN2C(=O)[O-])CCO1	ZINC000740307427	581663422	/nfs/dbraw/zinc/66/34/22/581663422.db2.gz	RCKMDSHPNRFPJY-MNOVXSKESA-N	-1	0	296.327	0.453	20	30		CCEDRM
N#C[C@H]1CN(C(=O)c2csc(CNC(=O)[O-])n2)CCO1	ZINC000740307153	581663443	/nfs/dbraw/zinc/66/34/43/581663443.db2.gz	OULZLQIMMJTLDB-ZETCQYMHSA-N	-1	0	296.308	0.275	20	30		CCEDRM
N#C[C@H]1CN(C(=O)CSCC(=O)[O-])CCN1C1CC1	ZINC000740307182	581663472	/nfs/dbraw/zinc/66/34/72/581663472.db2.gz	PYYFEMGMMHHSBQ-JTQLQIEISA-N	-1	0	283.353	0.003	20	30		CCEDRM
N#CC1CCN(C(=O)N[C@H]2CCN(C(=O)[O-])C2)CC1	ZINC000740311093	581663954	/nfs/dbraw/zinc/66/39/54/581663954.db2.gz	YCNBVUMFSXSNQS-JTQLQIEISA-N	-1	0	266.301	0.684	20	30		CCEDRM
N#Cc1ccc([C@@H](N[C@@H]2CCN(C(=O)[O-])C2)C(N)=O)cc1	ZINC000740312308	581664366	/nfs/dbraw/zinc/66/43/66/581664366.db2.gz	DLLMZXHYYRZYCJ-VXGBXAGGSA-N	-1	0	288.307	0.427	20	30		CCEDRM
N#Cc1cccc(CNC(=O)[C@H]2COCCN2C(=O)[O-])c1	ZINC000740320673	581665023	/nfs/dbraw/zinc/66/50/23/581665023.db2.gz	WOPCZTAWQQACSQ-GFCCVEGCSA-N	-1	0	289.291	0.553	20	30		CCEDRM
N#Cc1cccc(S(=O)(=O)[N-]C(=O)C[C@H]2CCOC2)c1	ZINC000740527351	581691934	/nfs/dbraw/zinc/69/19/34/581691934.db2.gz	DXPRHPYGRFNQPE-LLVKDONJSA-N	-1	0	294.332	0.790	20	30		CCEDRM
C=CCNC(=O)NC(=O)[C@H](C)S[C@@H](C)CC(=O)[O-]	ZINC000736105799	581697175	/nfs/dbraw/zinc/69/71/75/581697175.db2.gz	LQZNLVYKGKXCCU-YUMQZZPRSA-N	-1	0	274.342	0.983	20	30		CCEDRM
C=C(C)CN(CC)C(=O)[C@@H](C)N1CCO[C@@H](C(=O)[O-])C1	ZINC000736095102	581702205	/nfs/dbraw/zinc/70/22/05/581702205.db2.gz	IWAMYVDOHUVGEQ-VXGBXAGGSA-N	-1	0	284.356	0.585	20	30		CCEDRM
CNC(=S)NN=C(C)c1cc(C(=O)[O-])ccc1O	ZINC000757451596	581702388	/nfs/dbraw/zinc/70/23/88/581702388.db2.gz	VJBCJGCPNFNHBL-UHFFFAOYSA-N	-1	0	267.310	0.908	20	30		CCEDRM
C[C@@](C#N)(NC(=O)CN1CCC[C@@H]1C(=O)[O-])C1CC1	ZINC000736203673	581715224	/nfs/dbraw/zinc/71/52/24/581715224.db2.gz	VNXRWJMXLTWCPX-MFKMUULPSA-N	-1	0	265.313	0.344	20	30		CCEDRM
CC(C)(NS(=O)(=O)c1ccc(C#N)cc1F)C(=O)[O-]	ZINC000736341110	581744860	/nfs/dbraw/zinc/74/48/60/581744860.db2.gz	JMXAGRLMOVLHQW-UHFFFAOYSA-N	-1	0	286.284	0.839	20	30		CCEDRM
N#Cc1ccc(C(=O)[N-]S(=O)(=O)c2cnccn2)s1	ZINC000758556393	581755069	/nfs/dbraw/zinc/75/50/69/581755069.db2.gz	DIEPXPVCIOZMND-UHFFFAOYSA-N	-1	0	294.317	0.528	20	30		CCEDRM
O=C([O-])CCOc1ccc(C=NN2CN=NC2=O)cc1	ZINC000770622019	581757231	/nfs/dbraw/zinc/75/72/31/581757231.db2.gz	PMJJMOROBYVONH-UHFFFAOYSA-N	-1	0	276.252	0.719	20	30		CCEDRM
O=C([O-])c1ccc2c(C=NN3CN=NC3=O)[nH]nc2c1	ZINC000770621163	581757285	/nfs/dbraw/zinc/75/72/85/581757285.db2.gz	FNHYCGCUSKVPAR-UHFFFAOYSA-N	-1	0	272.224	0.440	20	30		CCEDRM
COCCNC(=O)CN[C@H](C(=O)[O-])c1ccc(C#N)cc1	ZINC000737815750	581771992	/nfs/dbraw/zinc/77/19/92/581771992.db2.gz	VSKHMSFAJJQYOP-ZDUSSCGKSA-N	-1	0	291.307	0.036	20	30		CCEDRM
N#CC1(C(=O)N2CCO[C@H](c3nnn[n-]3)C2)CCCC1	ZINC000731880332	581786665	/nfs/dbraw/zinc/78/66/65/581786665.db2.gz	KJMKUGXJVQWVEK-VIFPVBQESA-N	-1	0	276.300	0.184	20	30		CCEDRM
Cn1ccc(CC(=O)[N-]S(=O)(=O)CC2(C#N)CCC2)n1	ZINC000771074239	581789805	/nfs/dbraw/zinc/78/98/05/581789805.db2.gz	BGMHCLGFVATAKE-UHFFFAOYSA-N	-1	0	296.352	0.102	20	30		CCEDRM
CC1(C(=O)[N-]S(=O)(=O)CC2(C#N)CCC2)CC1	ZINC000771077217	581789823	/nfs/dbraw/zinc/78/98/23/581789823.db2.gz	SYEZEVWQMVGJEG-UHFFFAOYSA-N	-1	0	256.327	0.926	20	30		CCEDRM
CCOCC(=O)[N-]S(=O)(=O)CC1(C#N)CCC1	ZINC000771080208	581790348	/nfs/dbraw/zinc/79/03/48/581790348.db2.gz	XBXCYTWAASKABE-UHFFFAOYSA-N	-1	0	260.315	0.163	20	30		CCEDRM
COCC(C)(C)C(=O)[N-]S(=O)(=O)CC1(C#N)CCC1	ZINC000771080105	581790469	/nfs/dbraw/zinc/79/04/69/581790469.db2.gz	PIDQDDLCNVSMGQ-UHFFFAOYSA-N	-1	0	288.369	0.799	20	30		CCEDRM
C=CCCC(=O)[N-]S(=O)(=O)[C@@H](C)[C@@H](C)C(=O)OC	ZINC000771516788	581806369	/nfs/dbraw/zinc/80/63/69/581806369.db2.gz	FRMRRRMOMOKDPF-BDAKNGLRSA-N	-1	0	277.342	0.596	20	30		CCEDRM
CC[C@@](C)(NS(=O)(=O)CCCCC#N)C(=O)[O-]	ZINC000736864265	581858693	/nfs/dbraw/zinc/85/86/93/581858693.db2.gz	SFGUIWHIRMRCFS-SNVBAGLBSA-N	-1	0	262.331	0.853	20	30		CCEDRM
CC[C@](C)(NS(=O)(=O)CCCCC#N)C(=O)[O-]	ZINC000736864264	581858767	/nfs/dbraw/zinc/85/87/67/581858767.db2.gz	SFGUIWHIRMRCFS-JTQLQIEISA-N	-1	0	262.331	0.853	20	30		CCEDRM
CCC(CC)N1C[C@@H](C(=O)N(CC#N)CC(=O)[O-])CC1=O	ZINC000736900883	581867425	/nfs/dbraw/zinc/86/74/25/581867425.db2.gz	UYLBCVAWXDBSTD-JTQLQIEISA-N	-1	0	295.339	0.460	20	30		CCEDRM
CCCCCS(=O)(=O)CC(=O)N(CC#N)CC(=O)[O-]	ZINC000736990416	581880390	/nfs/dbraw/zinc/88/03/90/581880390.db2.gz	JNDCKULPUXHHNB-UHFFFAOYSA-N	-1	0	290.341	0.028	20	30		CCEDRM
C=CCS(=O)(=O)[N-]C(=O)c1cncnc1CC	ZINC000772713474	581885383	/nfs/dbraw/zinc/88/53/83/581885383.db2.gz	INTHLNWHBAXXGD-UHFFFAOYSA-N	-1	0	255.299	0.285	20	30		CCEDRM
CCCN(CC(=O)[O-])CC(=O)NCc1ccc(C#N)cc1	ZINC000737013231	581885630	/nfs/dbraw/zinc/88/56/30/581885630.db2.gz	IXPIYULETYXRIW-UHFFFAOYSA-N	-1	0	289.335	0.971	20	30		CCEDRM
CCCN(CC(=O)[O-])CC(=O)N[C@@](C)(C#N)C(C)C	ZINC000737013263	581885734	/nfs/dbraw/zinc/88/57/34/581885734.db2.gz	QOVHAYAXCVBOKY-ZDUSSCGKSA-N	-1	0	269.345	0.837	20	30		CCEDRM
N#Cc1cc(C(=O)NCCc2n[n-]c(=S)o2)c[nH]1	ZINC000773107237	581908972	/nfs/dbraw/zinc/90/89/72/581908972.db2.gz	RUFWNXHXCTWEEX-UHFFFAOYSA-N	-1	0	263.282	0.531	20	30		CCEDRM
CCOC(=O)N1CCC(C(=O)N(CC#N)CC(=O)[O-])CC1	ZINC000737144015	581913432	/nfs/dbraw/zinc/91/34/32/581913432.db2.gz	FUVRFORQBZMFAN-UHFFFAOYSA-N	-1	0	297.311	0.292	20	30		CCEDRM
C=CCN(CC(=O)[O-])C(=O)c1cccc(NC(N)=O)c1	ZINC000762065996	581930039	/nfs/dbraw/zinc/93/00/39/581930039.db2.gz	GSBNSHJUDVUTGW-UHFFFAOYSA-N	-1	0	277.280	0.890	20	30		CCEDRM
CC#CC[C@@H](NS(=O)(=O)CC1CCOCC1)C(=O)[O-]	ZINC000275085075	581937313	/nfs/dbraw/zinc/93/73/13/581937313.db2.gz	ZLBJYHWGHJKFQC-LLVKDONJSA-N	-1	0	289.353	0.199	20	30		CCEDRM
COc1cc(C([O-])=C(C#N)C(=O)NC2CCCC2)nn1C	ZINC000773983106	581950850	/nfs/dbraw/zinc/95/08/50/581950850.db2.gz	GXDUBVMBRKPMEJ-JTQLQIEISA-N	-1	0	290.323	0.810	20	30		CCEDRM
C=CCNc1ncc(C(=O)OCc2n[nH]c(=O)[n-]2)s1	ZINC000774971903	581985474	/nfs/dbraw/zinc/98/54/74/581985474.db2.gz	PGCIIQNAKZEWDI-UHFFFAOYSA-N	-1	0	281.297	0.922	20	30		CCEDRM
N#Cc1ccc(OCC(=O)OCc2n[nH]c(=O)[n-]2)cc1	ZINC000774881537	582000691	/nfs/dbraw/zinc/00/06/91/582000691.db2.gz	ABVIKAVAJXJABP-UHFFFAOYSA-N	-1	0	274.236	0.504	20	30		CCEDRM
COc1ccnc(N=NCc2ccc(C(=O)[O-])[nH]2)n1	ZINC000749809629	582023147	/nfs/dbraw/zinc/02/31/47/582023147.db2.gz	HRVHTDDIKCILSU-UHFFFAOYSA-N	-1	0	261.241	0.958	20	30		CCEDRM
C#CCCCCC(=O)[N-]S(=O)(=O)C[C@@H](C)OC	ZINC000764190597	582034937	/nfs/dbraw/zinc/03/49/37/582034937.db2.gz	ZFBLANAZAWDYOL-SNVBAGLBSA-N	-1	0	261.343	0.661	20	30		CCEDRM
Cc1cc(C(=O)N(CC#N)CC(=O)[O-])cc([N+](=O)[O-])c1	ZINC000738320037	582036443	/nfs/dbraw/zinc/03/64/43/582036443.db2.gz	NYQSZXPEUBFUCL-UHFFFAOYSA-N	-1	0	277.236	0.954	20	30		CCEDRM
CO[C@@H](C)CS(=O)(=O)[N-]C(=O)c1cccc(C#N)c1	ZINC000764215037	582037102	/nfs/dbraw/zinc/03/71/02/582037102.db2.gz	CDRCWKOBOPGZSV-VIFPVBQESA-N	-1	0	282.321	0.653	20	30		CCEDRM
N#C[C@@H](NC(=O)[C@H]1CCCN(C(=O)[O-])C1)C1CC1	ZINC000738421433	582047864	/nfs/dbraw/zinc/04/78/64/582047864.db2.gz	DFVWGBABIRUPJS-VHSXEESVSA-N	-1	0	251.286	0.795	20	30		CCEDRM
N#CCCN(CC1CC1)S(=O)(=O)CCCC(=O)[O-]	ZINC000738427677	582048259	/nfs/dbraw/zinc/04/82/59/582048259.db2.gz	FOFALXXFXGXICV-UHFFFAOYSA-N	-1	0	274.342	0.807	20	30		CCEDRM
N#Cc1cc(NC(=O)C(=O)NCCC(=O)[O-])ccc1Cl	ZINC000738424851	582048536	/nfs/dbraw/zinc/04/85/36/582048536.db2.gz	DXDYFJURZGHITL-UHFFFAOYSA-N	-1	0	295.682	0.741	20	30		CCEDRM
N#Cc1ccc([C@@H](C(N)=O)N2CCC(C(=O)[O-])CC2)cc1	ZINC000738431420	582049050	/nfs/dbraw/zinc/04/90/50/582049050.db2.gz	YVLMGNVBKOUDIW-ZDUSSCGKSA-N	-1	0	287.319	0.881	20	30		CCEDRM
CCOCCO[C@H](C)C(=O)[N-]S(=O)(=O)CCCC#N	ZINC000776115841	582052141	/nfs/dbraw/zinc/05/21/41/582052141.db2.gz	UHURETIAOGOSDG-SNVBAGLBSA-N	-1	0	292.357	0.178	20	30		CCEDRM
N#CCCCS(=O)(=O)[N-]C(=O)c1cnn2cccnc12	ZINC000776121330	582052869	/nfs/dbraw/zinc/05/28/69/582052869.db2.gz	DFNLAMHHVPWQKB-UHFFFAOYSA-N	-1	0	293.308	0.093	20	30		CCEDRM
N#CCCCS(=O)(=O)[N-]C(=O)Cc1ccc(C#N)cc1	ZINC000776122186	582052952	/nfs/dbraw/zinc/05/29/52/582052952.db2.gz	NKHRIFMQDUECPQ-UHFFFAOYSA-N	-1	0	291.332	0.851	20	30		CCEDRM
C#CCNC(=O)C1=NN(c2ccccc2)[C@H](C(=O)[O-])C1	ZINC000738462165	582053234	/nfs/dbraw/zinc/05/32/34/582053234.db2.gz	XGBGBPFGOROPOZ-LBPRGKRZSA-N	-1	0	271.276	0.455	20	30		CCEDRM
Cc1ccc(C)c(S(=O)(=O)N(CC#N)CC(=O)[O-])c1	ZINC000738577334	582064042	/nfs/dbraw/zinc/06/40/42/582064042.db2.gz	RHURNEAIEAIPKY-UHFFFAOYSA-N	-1	0	282.321	0.902	20	30		CCEDRM
C[C@H](C(=O)N(C)CCC#N)N1CCN(C(=O)[O-])[C@H](C)C1	ZINC000738605978	582065666	/nfs/dbraw/zinc/06/56/66/582065666.db2.gz	ZBYNIVRLTDSXFV-GHMZBOCLSA-N	-1	0	282.344	0.431	20	30		CCEDRM
C#Cc1cccc(NC(=O)c2cnc([O-])n(C)c2=O)c1	ZINC000751460331	582081902	/nfs/dbraw/zinc/08/19/02/582081902.db2.gz	OHXAGCCCCNMGFR-UHFFFAOYSA-N	-1	0	269.260	0.720	20	30		CCEDRM
CC(C)N(CCCNS(=O)(=O)CCCC#N)C(=O)[O-]	ZINC000738849196	582082733	/nfs/dbraw/zinc/08/27/33/582082733.db2.gz	YMKMYCWJHJIYSB-UHFFFAOYSA-N	-1	0	291.373	0.988	20	30		CCEDRM
Cc1nn(C)c2sc(C(=O)N(CC#N)CC(=O)[O-])cc12	ZINC000738918433	582088965	/nfs/dbraw/zinc/08/89/65/582088965.db2.gz	MSOUFEAAVQCUSG-UHFFFAOYSA-N	-1	0	292.320	0.994	20	30		CCEDRM
N#CCCNC(=O)COc1ccc(C(=O)[O-])cc1C=O	ZINC000739075782	582101142	/nfs/dbraw/zinc/10/11/42/582101142.db2.gz	MSYXXVUJAWWULK-UHFFFAOYSA-N	-1	0	276.248	0.606	20	30		CCEDRM
N#C[C@H](C(=O)CCCNC(=O)[O-])C(=O)NC1CCCC1	ZINC000739073541	582101318	/nfs/dbraw/zinc/10/13/18/582101318.db2.gz	DBLNARDQBLIAMT-SNVBAGLBSA-N	-1	0	281.312	0.802	20	30		CCEDRM
N#CCN(CC(=O)[O-])C(=O)[C@@H]1Cc2ccccc2C(=O)O1	ZINC000739076635	582101412	/nfs/dbraw/zinc/10/14/12/582101412.db2.gz	BEBDCXBXLMFKOZ-NSHDSACASA-N	-1	0	288.259	0.205	20	30		CCEDRM
N#CCN(CC(=O)[O-])C(=O)CCCc1ccccn1	ZINC000739077888	582101434	/nfs/dbraw/zinc/10/14/34/582101434.db2.gz	WBMHGGWEUMISOZ-UHFFFAOYSA-N	-1	0	261.281	0.841	20	30		CCEDRM
N#CCOc1ccc(Cn2cnc(C(=O)[O-])n2)cc1	ZINC000739087743	582102079	/nfs/dbraw/zinc/10/20/79/582102079.db2.gz	MHYWYJKTIMMNMH-UHFFFAOYSA-N	-1	0	258.237	0.927	20	30		CCEDRM
N#CCN(CC(=O)[O-])C(=O)c1ccnc(C2CC2)n1	ZINC000739087618	582102098	/nfs/dbraw/zinc/10/20/98/582102098.db2.gz	OXTFHFGDKLZFQF-UHFFFAOYSA-N	-1	0	260.253	0.404	20	30		CCEDRM
N#CCOc1ccc(COC(=O)CNC(=O)[O-])cc1	ZINC000739087370	582102117	/nfs/dbraw/zinc/10/21/17/582102117.db2.gz	HZFPHUZAHANHJM-UHFFFAOYSA-N	-1	0	264.237	0.900	20	30		CCEDRM
CCN(C)S(=O)(=O)[N-]C(=O)c1cc(C#N)cs1	ZINC000752184151	582102261	/nfs/dbraw/zinc/10/22/61/582102261.db2.gz	ACXOJUAPQZJLKL-UHFFFAOYSA-N	-1	0	273.339	0.546	20	30		CCEDRM
C=C(Br)CNC(=O)[C@H](C)O[C@@H](C)C(=O)[O-]	ZINC000872915027	613237935	/nfs/dbraw/zinc/23/79/35/613237935.db2.gz	WLANNFSKMQGMOJ-BQBZGAKWSA-N	-1	0	280.118	0.889	20	30		CCEDRM
CCN([C@H](C)C(=O)[O-])S(=O)(=O)CCCCC#N	ZINC000899563893	615077672	/nfs/dbraw/zinc/07/76/72/615077672.db2.gz	CVRUARIOJJIWMF-SECBINFHSA-N	-1	0	262.331	0.805	20	30		CCEDRM
N#Cc1c(-c2nnn[n-]2)nc(N)n1CCCCCCCO	ZINC000822814903	599126699	/nfs/dbraw/zinc/12/66/99/599126699.db2.gz	LAMBIGBBFABJAG-UHFFFAOYSA-N	-1	0	290.331	0.460	20	30		CCEDRM
Cc1c(C#N)cccc1NC(=O)C(=O)N[C@@H](C)C(=O)[O-]	ZINC000818763131	597324984	/nfs/dbraw/zinc/32/49/84/597324984.db2.gz	AKWJCUZAOZWPJE-QMMMGPOBSA-N	-1	0	275.264	0.395	20	30		CCEDRM
C#CCCCS(=O)(=O)[N-]c1n[nH]c2c1COCC2	ZINC000886479296	612985541	/nfs/dbraw/zinc/98/55/41/612985541.db2.gz	HWKRTODWCDYBNX-UHFFFAOYSA-N	-1	0	269.326	0.638	20	30		CCEDRM
N#Cc1cccc(C(=O)OCc2cn(CC(=O)[O-])nn2)c1	ZINC000821340610	597362826	/nfs/dbraw/zinc/36/28/26/597362826.db2.gz	QMQCHYNWMGZDSB-UHFFFAOYSA-N	-1	0	286.247	0.591	20	30		CCEDRM
C#CCCN(CC(F)(F)F)C(=O)CCc1nnn[n-]1	ZINC000867451460	612986144	/nfs/dbraw/zinc/98/61/44/612986144.db2.gz	XGUDZYXMLGEFQB-UHFFFAOYSA-N	-1	0	275.234	0.547	20	30		CCEDRM
C#CCOCCNC(=O)NC[C@@H](CC(C)C)C(=O)[O-]	ZINC000818623519	612987181	/nfs/dbraw/zinc/98/71/81/612987181.db2.gz	HFHJJXWLAVESNL-LLVKDONJSA-N	-1	0	270.329	0.682	20	30		CCEDRM
Cn1ccc(CNC(=O)[C@@](C)(C#N)CC(=O)[O-])n1	ZINC000821305191	597607157	/nfs/dbraw/zinc/60/71/57/597607157.db2.gz	RDJCSRBSAPYASI-LLVKDONJSA-N	-1	0	250.258	0.041	20	30		CCEDRM
C[C@H](NC(=O)[C@@](C)(C#N)CC(=O)[O-])[C@H]1CCCOC1	ZINC000820113890	597611788	/nfs/dbraw/zinc/61/17/88/597611788.db2.gz	HXFOIHXIZUELIF-OUJBWJOFSA-N	-1	0	268.313	0.922	20	30		CCEDRM
C[C@@H](OC(=O)[C@](C)(C#N)CC(=O)[O-])C(=O)NC(C)(C)C	ZINC000820160556	597617329	/nfs/dbraw/zinc/61/73/29/597617329.db2.gz	GQKVLZWCOUQCOS-OQPBUACISA-N	-1	0	284.312	0.837	20	30		CCEDRM
C[C@](C#N)(CC(=O)[O-])C(=O)OCc1cc(=O)c(O)co1	ZINC000819873325	597619597	/nfs/dbraw/zinc/61/95/97/597619597.db2.gz	AGYBFSFEECSJHC-GFCCVEGCSA-N	-1	0	281.220	0.393	20	30		CCEDRM
C[C@](C#N)(CC(=O)[O-])C(=O)NCCCn1ccnc1	ZINC000819834250	597628185	/nfs/dbraw/zinc/62/81/85/597628185.db2.gz	MFGQPLBNWVQZIQ-GFCCVEGCSA-N	-1	0	264.285	0.394	20	30		CCEDRM
C[C@@H](NC(=O)[C@](C)(C#N)CC(=O)[O-])c1nnc2n1CCC2	ZINC000820113941	597632201	/nfs/dbraw/zinc/63/22/01/597632201.db2.gz	IVEGGBMOHVVXSD-OQPBUACISA-N	-1	0	291.311	0.406	20	30		CCEDRM
C[C@@](C#N)(CC(=O)[O-])C(=O)NCc1ccccc1CO	ZINC000819842740	597636254	/nfs/dbraw/zinc/63/62/54/597636254.db2.gz	SEDLYTXEWXTJHZ-AWEZNQCLSA-N	-1	0	276.292	0.800	20	30		CCEDRM
C[C@H](CC[S@@](C)=O)NC(=O)[C@@](C)(C#N)CC(=O)[O-]	ZINC000820095705	597651533	/nfs/dbraw/zinc/65/15/33/597651533.db2.gz	MVAXFSRIEQQDJX-LPVDOIAESA-N	-1	0	274.342	0.264	20	30		CCEDRM
C[C@](C#N)(CC(=O)[O-])C(=O)NCC[C@@H](O)C(F)(F)F	ZINC000819834513	597652822	/nfs/dbraw/zinc/65/28/22/597652822.db2.gz	OCNAHNISFMRRKS-HZGVNTEJSA-N	-1	0	282.218	0.420	20	30		CCEDRM
C[C@](C#N)(CC(=O)[O-])C(=O)N1CCC(n2ccnn2)CC1	ZINC000819810836	597657997	/nfs/dbraw/zinc/65/79/97/597657997.db2.gz	GOJNOJZGCLINJA-CYBMUJFWSA-N	-1	0	291.311	0.446	20	30		CCEDRM
C[C@H](O)[C@H]1CCCN(C(=O)[C@](C)(C#N)CC(=O)[O-])C1	ZINC000820154109	597658714	/nfs/dbraw/zinc/65/87/14/597658714.db2.gz	GHLVJNUGIYUBDN-KWBADKCTSA-N	-1	0	268.313	0.610	20	30		CCEDRM
C[C@](C#N)(CC(=O)[O-])C(=O)N1CC[C@H](CCO)C1	ZINC000819812160	597659565	/nfs/dbraw/zinc/65/95/65/597659565.db2.gz	YYZNBBRSLJTKAG-BXKDBHETSA-N	-1	0	254.286	0.222	20	30		CCEDRM
C[C@](C#N)(CC(=O)[O-])C(=O)NCCc1ccc(CO)cc1	ZINC000819843164	597662735	/nfs/dbraw/zinc/66/27/35/597662735.db2.gz	YUDXXAOJWPXEBM-OAHLLOKOSA-N	-1	0	290.319	0.842	20	30		CCEDRM
C[C@](C#N)(CC(=O)[O-])C(=O)NC1CCC(CO)CC1	ZINC000819823309	597735044	/nfs/dbraw/zinc/73/50/44/597735044.db2.gz	SRDKZGPJTKTUSC-SRHKJQAYSA-N	-1	0	268.313	0.658	20	30		CCEDRM
O=C([O-])CCNN=C1CCN(Cc2ccccc2)C1=O	ZINC000821524452	597740941	/nfs/dbraw/zinc/74/09/41/597740941.db2.gz	BPBSUGMFKGWLMD-UHFFFAOYSA-N	-1	0	275.308	0.839	20	30		CCEDRM
N#CC1(C(=O)NCCCCC(=O)[O-])CCOCC1	ZINC000821320497	598168725	/nfs/dbraw/zinc/16/87/25/598168725.db2.gz	QNDYWVOKLFPOQQ-UHFFFAOYSA-N	-1	0	254.286	0.678	20	30		CCEDRM
COc1ncccc1CNC(=O)[C@](C)(C#N)CC(=O)[O-]	ZINC000820885493	598223476	/nfs/dbraw/zinc/22/34/76/598223476.db2.gz	AJJDVLUTSZCXSJ-ZDUSSCGKSA-N	-1	0	277.280	0.711	20	30		CCEDRM
C[C@](C#N)(CC(=O)[O-])C(=O)NCCOC1CCC1	ZINC000819842518	598228900	/nfs/dbraw/zinc/22/89/00/598228900.db2.gz	RCOAUJICIZHCAZ-GFCCVEGCSA-N	-1	0	254.286	0.676	20	30		CCEDRM
Cc1nn(C)c(C)c1CNC(=O)[C@](C)(C#N)CC(=O)[O-]	ZINC000821209315	598229156	/nfs/dbraw/zinc/22/91/56/598229156.db2.gz	SNEFRXFKGGXVJS-ZDUSSCGKSA-N	-1	0	278.312	0.658	20	30		CCEDRM
Cc1nsc(NC(=O)[C@@](C)(C#N)CC(=O)[O-])n1	ZINC000821248837	598229163	/nfs/dbraw/zinc/22/91/63/598229163.db2.gz	XQEPKHUDUQSWPS-SECBINFHSA-N	-1	0	254.271	0.790	20	30		CCEDRM
C[C@@H](NC(=O)[C@@](C)(C#N)CC(=O)OC(C)(C)C)C(=O)[O-]	ZINC000820115336	598230465	/nfs/dbraw/zinc/23/04/65/598230465.db2.gz	UWCHHAIJSBXPEO-AMIZOPFISA-N	-1	0	284.312	0.837	20	30		CCEDRM
C[C@](C#N)(CC(=O)[O-])C(=O)N[C@@H]1CCC[C@H](C(N)=O)C1	ZINC000819823050	598230553	/nfs/dbraw/zinc/23/05/53/598230553.db2.gz	RLOMPSLIRHGTJW-IGJMFERPSA-N	-1	0	281.312	0.151	20	30		CCEDRM
C#CCO[C@@H](C)C(=O)N[C@](C)(CC(=O)[O-])C1CC1	ZINC000910320464	612997569	/nfs/dbraw/zinc/99/75/69/612997569.db2.gz	ZEZSYESTVMJOKA-TVQRCGJNSA-N	-1	0	253.298	0.784	20	30		CCEDRM
C#CCO[C@H](C)C(=O)N1C[C@@H]2CCC[C@@H]2[C@@H]1C(=O)[O-]	ZINC000909675944	613000723	/nfs/dbraw/zinc/00/07/23/613000723.db2.gz	AHGVFRLOWORXPS-NOOOWODRSA-N	-1	0	265.309	0.736	20	30		CCEDRM
N#Cc1ccc(NS(=O)(=O)CCC(=O)[O-])cc1	ZINC000019983263	599867840	/nfs/dbraw/zinc/86/78/40/599867840.db2.gz	MGSLDVSJMBOLKI-UHFFFAOYSA-N	-1	0	254.267	0.775	20	30		CCEDRM
N#CCN(CC(=O)[O-])C(=O)c1n[nH]c2c1CCCC2	ZINC000739079203	600404717	/nfs/dbraw/zinc/40/47/17/600404717.db2.gz	UTYJEDUHRLNNSX-UHFFFAOYSA-N	-1	0	262.269	0.339	20	30		CCEDRM
N#CCN(CC(=O)[O-])C(=O)CNC(=O)C1CCCCC1	ZINC000739079192	600407642	/nfs/dbraw/zinc/40/76/42/600407642.db2.gz	SYISVOWEKFZRBK-UHFFFAOYSA-N	-1	0	281.312	0.120	20	30		CCEDRM
N#CC1(NC(=O)c2cccc(C(=O)[O-])n2)CCOCC1	ZINC000739066507	600621795	/nfs/dbraw/zinc/62/17/95/600621795.db2.gz	NICCJFCXEUQHLV-UHFFFAOYSA-N	-1	0	275.264	0.582	20	30		CCEDRM
C[C@@H]1CC[C@@H](CCC(=O)N(CC#N)CC(=O)[O-])O1	ZINC000828221275	600787479	/nfs/dbraw/zinc/78/74/79/600787479.db2.gz	LJLWMMOXEPBRHU-ZJUUUORDSA-N	-1	0	254.286	0.771	20	30		CCEDRM
C[C@H](C#N)C(=O)N(CCC(=O)[O-])C[C@H]1CCCO1	ZINC000825967251	600954920	/nfs/dbraw/zinc/95/49/20/600954920.db2.gz	RZVBXOPDHCHVJV-NXEZZACHSA-N	-1	0	254.286	0.628	20	30		CCEDRM
N#CCNC(=O)CN1C[C@@H](CC(=O)[O-])c2ccccc21	ZINC000148091132	600960814	/nfs/dbraw/zinc/96/08/14/600960814.db2.gz	JEFOPHHWRKFKET-SNVBAGLBSA-N	-1	0	273.292	0.705	20	30		CCEDRM
C[C@@H](C#N)CNS(=O)(=O)c1cc(C(=O)[O-])ccc1F	ZINC000054156587	600989687	/nfs/dbraw/zinc/98/96/87/600989687.db2.gz	XZKLFYOXXUQTBY-ZETCQYMHSA-N	-1	0	286.284	0.962	20	30		CCEDRM
N#CCN(CC(=O)[O-])C[C@H](O)COc1ccc(C#N)cc1	ZINC000833066499	601004103	/nfs/dbraw/zinc/00/41/03/601004103.db2.gz	BDIOGIIPJDKRJN-LBPRGKRZSA-N	-1	0	289.291	0.208	20	30		CCEDRM
N#CCN(CC(=O)[O-])CC(=O)NCCC1=CCCCC1	ZINC000833065533	601004247	/nfs/dbraw/zinc/00/42/47/601004247.db2.gz	CBESSXXCNDRNSS-UHFFFAOYSA-N	-1	0	279.340	0.903	20	30		CCEDRM
Cc1oc(S(=O)(=O)N(CC#N)C2CC2)cc1C(=O)[O-]	ZINC000833026397	601219241	/nfs/dbraw/zinc/21/92/41/601219241.db2.gz	GWLVXMBQAYJEFS-UHFFFAOYSA-N	-1	0	284.293	0.963	20	30		CCEDRM
N#CCN(CC(=O)[O-])Cc1nc(CC(F)(F)F)no1	ZINC000833067027	601226396	/nfs/dbraw/zinc/22/63/96/601226396.db2.gz	NVRWSIZOUNSYFH-UHFFFAOYSA-N	-1	0	278.190	0.585	20	30		CCEDRM
O=C([O-])Cc1nc(NC(=O)C#Cc2ccccc2)n[nH]1	ZINC000833270725	601286868	/nfs/dbraw/zinc/28/68/68/601286868.db2.gz	YAQJEZSATAUWFM-UHFFFAOYSA-N	-1	0	270.248	0.422	20	30		CCEDRM
N#CCNC(=O)CN1C[C@H](C2CCCCC2)C[C@H]1C(=O)[O-]	ZINC000833066611	601434358	/nfs/dbraw/zinc/43/43/58/601434358.db2.gz	CUILAGVRNSHIBH-OLZOCXBDSA-N	-1	0	293.367	0.982	20	30		CCEDRM
N#CCN1CCC[C@H](CNC(=O)[C@@H]2C[C@@H]2C(=O)[O-])C1	ZINC000833066837	601439126	/nfs/dbraw/zinc/43/91/26/601439126.db2.gz	JANKZCUVCUSXNH-MXWKQRLJSA-N	-1	0	265.313	0.059	20	30		CCEDRM
C#CCNC(=O)[C@@H](C)OC(=O)C1(NC(=O)[O-])CCCCC1	ZINC000823456336	612948404	/nfs/dbraw/zinc/94/84/04/612948404.db2.gz	LSBNLIQVJQDCMW-SNVBAGLBSA-N	-1	0	296.323	0.638	20	30		CCEDRM
N#CC1CCN(S(=O)(=O)CC2(CC(=O)[O-])CC2)CC1	ZINC000833063157	601512045	/nfs/dbraw/zinc/51/20/45/601512045.db2.gz	SZVBJRSNJPAKOT-UHFFFAOYSA-N	-1	0	286.353	0.807	20	30		CCEDRM
C#CCNS(=O)(=O)c1cc(F)c(F)c(C(=O)[O-])c1	ZINC000825626126	601567831	/nfs/dbraw/zinc/56/78/31/601567831.db2.gz	VBGZIMKWBMPQRB-UHFFFAOYSA-N	-1	0	275.232	0.575	20	30		CCEDRM
C[C@H]1CN(S(=O)(=O)c2ccc(C#N)nc2)C[C@@H]1C(=O)[O-]	ZINC000228697659	601588997	/nfs/dbraw/zinc/58/89/97/601588997.db2.gz	SRGYGWCEDOELSI-KWQFWETISA-N	-1	0	295.320	0.294	20	30		CCEDRM
C[C@@H](Cn1cc(C(=O)[O-])cc(C#N)c1=O)CS(C)(=O)=O	ZINC000827597055	601892819	/nfs/dbraw/zinc/89/28/19/601892819.db2.gz	KEWOCQBKZBAFMO-QMMMGPOBSA-N	-1	0	298.320	0.099	20	30		CCEDRM
CC1CC(C#N)(C(=O)Nc2cnn(CC(=O)[O-])c2)C1	ZINC000828156329	602023185	/nfs/dbraw/zinc/02/31/85/602023185.db2.gz	HOZYGZIKUUQHJA-UHFFFAOYSA-N	-1	0	262.269	0.846	20	30		CCEDRM
C[C@@H](CN(C)C(=O)C#Cc1ccc2c(c1)OCO2)C(=O)[O-]	ZINC000827431990	602285211	/nfs/dbraw/zinc/28/52/11/602285211.db2.gz	CSDRXKPEBGJPLJ-JTQLQIEISA-N	-1	0	289.287	0.946	20	30		CCEDRM
Cn1c(=O)[nH]cc(C(=O)C=Cc2ccc(C(=O)[O-])[nH]2)c1=O	ZINC000833037708	602300008	/nfs/dbraw/zinc/30/00/08/602300008.db2.gz	OSIWXHCACMFTMJ-HWKANZROSA-N	-1	0	289.247	0.408	20	30		CCEDRM
COc1cc(C=NNCC(=O)[O-])c([N+](=O)[O-])cc1OC	ZINC000814958271	617179327	/nfs/dbraw/zinc/17/93/27/617179327.db2.gz	ILDILTWAPODMEV-UHFFFAOYSA-N	-1	0	283.240	0.620	20	30		CCEDRM
COc1cc(C=Nn2c(=O)[n-][nH]c2=O)ccc1O	ZINC000814233523	617179584	/nfs/dbraw/zinc/17/95/84/617179584.db2.gz	UPIWSKCBRPSNAP-UHFFFAOYSA-N	-1	0	250.214	0.286	20	30		CCEDRM
CCC[C@H](C#N)NC(=O)CN(C[C@H]1CCCO1)C(=O)[O-]	ZINC000739281644	602875242	/nfs/dbraw/zinc/87/52/42/602875242.db2.gz	AJHZVBNCDNUIHX-GHMZBOCLSA-N	-1	0	283.328	0.954	20	30		CCEDRM
Cn1cc(C#N)cc1C(=O)NC[C@@H]1CCCN1C(=O)[O-]	ZINC000830989775	603512528	/nfs/dbraw/zinc/51/25/28/603512528.db2.gz	RTSWPKYYYSERSH-JTQLQIEISA-N	-1	0	276.296	0.769	20	30		CCEDRM
Cc1ccc(C(=O)N2CCN(C(=O)[O-])C[C@@H]2C#N)c(=O)[nH]1	ZINC000830193225	603594084	/nfs/dbraw/zinc/59/40/84/603594084.db2.gz	TWPJIBOZGYMAES-VIFPVBQESA-N	-1	0	290.279	0.424	20	30		CCEDRM
N#C[C@@H](OC(=O)CN(C[C@H]1CCCO1)C(=O)[O-])C1CC1	ZINC000831070285	603615173	/nfs/dbraw/zinc/61/51/73/603615173.db2.gz	IIEMJMFMGLGJMV-GHMZBOCLSA-N	-1	0	282.296	0.991	20	30		CCEDRM
N#CCN1CCN(C(=O)[C@H]2CC[C@H](NC(=O)[O-])C2)CC1	ZINC000831102707	603626164	/nfs/dbraw/zinc/62/61/64/603626164.db2.gz	RJCGDGLJAFOMAL-QWRGUYRKSA-N	-1	0	280.328	0.090	20	30		CCEDRM
Cc1noc(CN2CCN(C(=O)[O-])C[C@H]2C#N)n1	ZINC000830925421	603725410	/nfs/dbraw/zinc/72/54/10/603725410.db2.gz	VEIAFHYZYZNAAH-MRVPVSSYSA-N	-1	0	251.246	0.066	20	30		CCEDRM
N#Cc1ccc(OCCNC(=O)NCCNC(=O)[O-])cc1	ZINC000831141165	603746794	/nfs/dbraw/zinc/74/67/94/603746794.db2.gz	FFYZVCSFEUNVCZ-UHFFFAOYSA-N	-1	0	292.295	0.504	20	30		CCEDRM
C[C@H](CC#N)N(C)C(=O)COC1CN(C(=O)[O-])C1	ZINC000824542730	603765906	/nfs/dbraw/zinc/76/59/06/603765906.db2.gz	DDNDZBHGSCRRSW-MRVPVSSYSA-N	-1	0	255.274	0.126	20	30		CCEDRM
C[C@@H](CN(C)C(=O)[O-])C(=O)NCC1CCN(CC#N)CC1	ZINC000824854371	603918865	/nfs/dbraw/zinc/91/88/65/603918865.db2.gz	JLVVEXZZIIDGRP-NSHDSACASA-N	-1	0	296.371	0.584	20	30		CCEDRM
N#CC1(NC(=O)[C@@]2(F)CCN(C(=O)[O-])C2)CCOCC1	ZINC000831071081	604010220	/nfs/dbraw/zinc/01/02/20/604010220.db2.gz	XTGUQGAUEPSDPM-GFCCVEGCSA-N	-1	0	285.275	0.267	20	30		CCEDRM
N#Cc1cccc(Cn2nnnc2CNC(=O)[O-])c1	ZINC000831145791	604031332	/nfs/dbraw/zinc/03/13/32/604031332.db2.gz	ACQFENIFMMZLHL-UHFFFAOYSA-N	-1	0	258.241	0.361	20	30		CCEDRM
N#C[C@@H]1CN(C(=O)[O-])CCN1C(=O)c1ccc([N+](=O)[O-])[nH]1	ZINC000831087615	604068580	/nfs/dbraw/zinc/06/85/80/604068580.db2.gz	OPUWONLJIGJKHH-SSDOTTSWSA-N	-1	0	293.239	0.251	20	30		CCEDRM
N#Cc1cccc(CC(=O)N2CCN(C(=O)[O-])C[C@H]2C#N)c1	ZINC000831145919	604072188	/nfs/dbraw/zinc/07/21/88/604072188.db2.gz	FLFWNEQTAVMCFT-CYBMUJFWSA-N	-1	0	298.302	0.815	20	30		CCEDRM
C#CCNC(=O)CNc1ccc(OC)c(NC(=O)[O-])c1	ZINC000823457313	604214261	/nfs/dbraw/zinc/21/42/61/604214261.db2.gz	XPDIXCJWDINCNB-UHFFFAOYSA-N	-1	0	277.280	0.946	20	30		CCEDRM
N#C[C@@H]1CCC[C@@H]1NC(=O)[C@H]1CN(C(=O)[O-])CCO1	ZINC000831076858	604273183	/nfs/dbraw/zinc/27/31/83/604273183.db2.gz	UBYFLMWHFKLDJR-LPEHRKFASA-N	-1	0	267.285	0.174	20	30		CCEDRM
C=CCCOCCNS(=O)(=O)C[C@H](C)C(=O)[O-]	ZINC000833374962	604637367	/nfs/dbraw/zinc/63/73/67/604637367.db2.gz	PHBRPXSPINTMNM-VIFPVBQESA-N	-1	0	265.331	0.219	20	30		CCEDRM
CC(C)C[C@@H](C#N)NS(=O)(=O)c1ccc(C(=O)[O-])nc1	ZINC000833474869	604700811	/nfs/dbraw/zinc/70/08/11/604700811.db2.gz	ZRNLTRLRQDZUDJ-VIFPVBQESA-N	-1	0	297.336	0.996	20	30		CCEDRM
C[C@H](NC(=O)[O-])[C@H]1CN(C(=O)C(C)(C)C#N)CCO1	ZINC000825295738	604701441	/nfs/dbraw/zinc/70/14/41/604701441.db2.gz	WMMCLGZBGZWQSA-DTWKUNHWSA-N	-1	0	269.301	0.420	20	30		CCEDRM
C[C@H](CNC(=O)C(=O)Nc1ccc(C#N)cc1F)C(=O)[O-]	ZINC000827460785	604825596	/nfs/dbraw/zinc/82/55/96/604825596.db2.gz	BQSGYBVZTFDDJK-SSDOTTSWSA-N	-1	0	293.254	0.473	20	30		CCEDRM
C#CCNC(=O)[C@H](C)OC(=O)c1cnccc1C(=O)[O-]	ZINC000825620082	604869221	/nfs/dbraw/zinc/86/92/21/604869221.db2.gz	VDPIGGJXCOSPEX-QMMMGPOBSA-N	-1	0	276.248	0.075	20	30		CCEDRM
COc1ccc(OCC(=O)N(CC#N)CC(=O)[O-])cc1C	ZINC000832439096	604922980	/nfs/dbraw/zinc/92/29/80/604922980.db2.gz	IQFBIPPWXMSEKA-UHFFFAOYSA-N	-1	0	292.291	0.819	20	30		CCEDRM
C=C(Br)CN(CC(=O)[O-])CC(=O)OC	ZINC000833367015	604946022	/nfs/dbraw/zinc/94/60/22/604946022.db2.gz	GRGPMCBRFOHNNO-UHFFFAOYSA-N	-1	0	266.091	0.455	20	30		CCEDRM
Cc1cc(Cn2c(=O)c(C#N)cn(C)c2=O)oc1C(=O)[O-]	ZINC000833744577	605002762	/nfs/dbraw/zinc/00/27/62/605002762.db2.gz	IWFBIGQPTBVAFH-UHFFFAOYSA-N	-1	0	289.247	0.067	20	30		CCEDRM
C[C@@H](CC#N)N(C)S(=O)(=O)c1csnc1C(=O)[O-]	ZINC000833516638	605025132	/nfs/dbraw/zinc/02/51/32/605025132.db2.gz	ZFEHFUZTOHILOJ-LURJTMIESA-N	-1	0	289.338	0.764	20	30		CCEDRM
Cc1cc(NC(=O)NCCNC(=O)[O-])nn1CCC#N	ZINC000833900341	605574228	/nfs/dbraw/zinc/57/42/28/605574228.db2.gz	FUNYZCMIJCYTBH-UHFFFAOYSA-N	-1	0	280.288	0.494	20	30		CCEDRM
Cc1onc(CC(=O)NC(C)(C)CNC(=O)[O-])c1C#N	ZINC000833935436	605693388	/nfs/dbraw/zinc/69/33/88/605693388.db2.gz	GTJSGADLIRLYDM-UHFFFAOYSA-N	-1	0	280.284	0.560	20	30		CCEDRM
N#C[C@@H]1CN(C(=O)[O-])CCN1C(=O)Cc1cccc(O)c1	ZINC000833968341	605839992	/nfs/dbraw/zinc/83/99/92/605839992.db2.gz	VKGUQMAQQSJRJA-LLVKDONJSA-N	-1	0	289.291	0.649	20	30		CCEDRM
N#Cc1ccc(C(=O)N2CCN(C(=O)[O-])C[C@@H]2C#N)[nH]1	ZINC000833974796	605879715	/nfs/dbraw/zinc/87/97/15/605879715.db2.gz	XGHMKFWSHYSYBQ-VIFPVBQESA-N	-1	0	273.252	0.214	20	30		CCEDRM
N#C[C@H]1CN(C(=O)[O-])CCN1C(=O)[C@@H](O)c1ccccc1	ZINC000831076693	605966237	/nfs/dbraw/zinc/96/62/37/605966237.db2.gz	RBFFGOPNMNEHML-RYUDHWBXSA-N	-1	0	289.291	0.434	20	30		CCEDRM
N#C[C@H]1CSCCN1C(=O)C[C@H]1CN(C(=O)[O-])CCO1	ZINC000833966240	605975145	/nfs/dbraw/zinc/97/51/45/605975145.db2.gz	ISINJFQWOFVMRX-UWVGGRQHSA-N	-1	0	299.352	0.223	20	30		CCEDRM
N#C[C@H]1CSCCN1C(=O)CCCNC(=O)[O-]	ZINC000833966756	605978604	/nfs/dbraw/zinc/97/86/04/605978604.db2.gz	NIMFOIQNTVAERC-QMMMGPOBSA-N	-1	0	257.315	0.502	20	30		CCEDRM
N#C[C@@H]1CSCCN1C(=O)C[C@@H]1CCCN1C(=O)[O-]	ZINC000833967448	605978629	/nfs/dbraw/zinc/97/86/29/605978629.db2.gz	RBECERNSYCPSTD-VHSXEESVSA-N	-1	0	283.353	0.986	20	30		CCEDRM
N#CC1(NC(=O)COC2CN(C(=O)[O-])C2)CCSCC1	ZINC000833962791	606072965	/nfs/dbraw/zinc/07/29/65/606072965.db2.gz	ACQZCVACTHBJHR-UHFFFAOYSA-N	-1	0	299.352	0.271	20	30		CCEDRM
N#Cc1cc(C(=O)N2CCCN(C(=O)[O-])CC2)c[nH]1	ZINC000833970978	606089446	/nfs/dbraw/zinc/08/94/46/606089446.db2.gz	ZQXIAENXLXIBGY-UHFFFAOYSA-N	-1	0	262.269	0.712	20	30		CCEDRM
N#CC1(NC(=O)CCOC2CN(C(=O)[O-])C2)CCC1	ZINC000833963786	606099785	/nfs/dbraw/zinc/09/97/85/606099785.db2.gz	VHIXXKSQYMCVEI-UHFFFAOYSA-N	-1	0	267.285	0.318	20	30		CCEDRM
N#C[C@H]1CCC[C@@H]1Nc1nccnc1-c1nnn[n-]1	ZINC000822806384	606242363	/nfs/dbraw/zinc/24/23/63/606242363.db2.gz	MDDSZKINYZDIBJ-SFYZADRCSA-N	-1	0	256.273	0.761	20	30		CCEDRM
C#CCCS(=O)(=O)[N-]C(=O)C1CCSCC1	ZINC000810779415	613052845	/nfs/dbraw/zinc/05/28/45/613052845.db2.gz	LQCMJYOFOJURFU-UHFFFAOYSA-N	-1	0	261.368	0.599	20	30		CCEDRM
C#CCCS(=O)(=O)[N-]C(=O)[C@H]1Cc2ccccc21	ZINC000810784914	613053348	/nfs/dbraw/zinc/05/33/48/613053348.db2.gz	STRWVBRBTWKTME-LBPRGKRZSA-N	-1	0	263.318	0.796	20	30		CCEDRM
COC[C@@H](C)CC(=O)Nc1nc(C#N)c(-c2nn[nH]n2)[n-]1	ZINC000821681498	606694218	/nfs/dbraw/zinc/69/42/18/606694218.db2.gz	MFUSRTIPJQDJAS-LURJTMIESA-N	-1	0	290.287	0.073	20	30		CCEDRM
C#CC[C@H](NC(=O)[C@@H](O)Cc1ccccc1)C(=O)[O-]	ZINC000910051120	613068553	/nfs/dbraw/zinc/06/85/53/613068553.db2.gz	DPIJRHRSKADFCZ-RYUDHWBXSA-N	-1	0	261.277	0.183	20	30		CCEDRM
C#C[C@@H](C)NS(=O)(=O)c1cc(C(=O)[O-])oc1C	ZINC000122983939	613082422	/nfs/dbraw/zinc/08/24/22/613082422.db2.gz	DLQGHJCELDJGHY-ZCFIWIBFSA-N	-1	0	257.267	0.586	20	30		CCEDRM
C#CCN(CC#CC)C(=O)[C@H](C)O[C@@H](C)C(=O)[O-]	ZINC000872935836	613100176	/nfs/dbraw/zinc/10/01/76/613100176.db2.gz	UDJUABLVBOVYNK-QWRGUYRKSA-N	-1	0	251.282	0.350	20	30		CCEDRM
CS(C)(=O)=NS(=O)(=O)[N-][C@H](CC#N)C(F)(F)F	ZINC000901772473	617198735	/nfs/dbraw/zinc/19/87/35/617198735.db2.gz	TWAXKJXMOWQUNS-RXMQYKEDSA-N	-1	0	293.292	0.393	20	30		CCEDRM
C#CCCCCCC(=O)N1CCOC[C@H]1c1nnn[n-]1	ZINC000913495925	612975993	/nfs/dbraw/zinc/97/59/93/612975993.db2.gz	PQWWLJPMOFTTSB-NSHDSACASA-N	-1	0	277.328	0.683	20	30		CCEDRM
C#CCCCCNC(=O)C(=O)N1CC[C@](C)(C(=O)[O-])C1	ZINC000817111104	612977111	/nfs/dbraw/zinc/97/71/11/612977111.db2.gz	UAHQIOPCZKFGKF-AWEZNQCLSA-N	-1	0	280.324	0.229	20	30		CCEDRM
CCC[C@H](OC)C(=O)[N-]S(=O)(=O)CC1(C#N)CC1	ZINC000835293391	614432769	/nfs/dbraw/zinc/43/27/69/614432769.db2.gz	CZGCZDWJASADKZ-VIFPVBQESA-N	-1	0	274.342	0.551	20	30		CCEDRM
CSC[C@@H](NC(=O)[C@@]1(C#N)CCCOC1)C(=O)[O-]	ZINC000923104696	617249560	/nfs/dbraw/zinc/24/95/60/617249560.db2.gz	SBOQPKBZADDCEM-LDYMZIIASA-N	-1	0	272.326	0.239	20	30		CCEDRM
C[C@@H](C(=O)N1CCC(C(=O)[O-])CC1)N(C)CCC#N	ZINC000825978179	617302782	/nfs/dbraw/zinc/30/27/82/617302782.db2.gz	ZJCSSMBCKXIBAK-JTQLQIEISA-N	-1	0	267.329	0.544	20	30		CCEDRM
C#CCNC(=O)c1ccc(NC[C@H](C)C(=O)[O-])nc1	ZINC000848638262	612952528	/nfs/dbraw/zinc/95/25/28/612952528.db2.gz	RFXNCUJDTGHHHQ-VIFPVBQESA-N	-1	0	261.281	0.577	20	30		CCEDRM
C#CC1(O)CN(C(=O)c2cc(F)c([O-])c(F)c2)C1	ZINC000890524507	612958958	/nfs/dbraw/zinc/95/89/58/612958958.db2.gz	PFUPRIIZQCJJKQ-UHFFFAOYSA-N	-1	0	253.204	0.491	20	30		CCEDRM
C#CCCc1cc(=O)n(-c2ncnc3c2cnn3C)[n-]1	ZINC000899347038	612974351	/nfs/dbraw/zinc/97/43/51/612974351.db2.gz	FVGZDULMUMLNIT-UHFFFAOYSA-N	-1	0	268.280	0.869	20	30		CCEDRM
C#CCCCC(=O)N[C@H](Cc1ccncc1)C(=O)[O-]	ZINC000911427118	612975246	/nfs/dbraw/zinc/97/52/46/612975246.db2.gz	PSQNZEVCISUDDA-GFCCVEGCSA-N	-1	0	260.293	0.997	20	30		CCEDRM
C#CCCCCC(=O)N[C@H](C)C(=O)N[C@H](C)C(=O)[O-]	ZINC000910748647	612975797	/nfs/dbraw/zinc/97/57/97/612975797.db2.gz	TZCSGJBNDWEBNQ-NXEZZACHSA-N	-1	0	268.313	0.274	20	30		CCEDRM
C#CCCCCCC(=O)N1CC(n2cc(C(=O)[O-])nn2)C1	ZINC000833361652	612975952	/nfs/dbraw/zinc/97/59/52/612975952.db2.gz	GAHBPSZIPSMKJK-UHFFFAOYSA-N	-1	0	290.323	0.943	20	30		CCEDRM
C#CCCCNC(=O)N1CC[C@H](OC)C[C@@H]1C(=O)[O-]	ZINC000909027448	612981534	/nfs/dbraw/zinc/98/15/34/612981534.db2.gz	JQJUZVBERCOHGM-WDEREUQCSA-N	-1	0	268.313	0.673	20	30		CCEDRM
C#CCCCNC(=O)NC[C@@H](NC(=O)[O-])C(C)C	ZINC000823445230	612982112	/nfs/dbraw/zinc/98/21/12/612982112.db2.gz	WFTDXVWSUREVCK-SNVBAGLBSA-N	-1	0	255.318	0.991	20	30		CCEDRM
C#CCCCS(=O)(=O)NCc1nc(C(F)F)no1	ZINC000867427071	612984727	/nfs/dbraw/zinc/98/47/27/612984727.db2.gz	JMRFDTDOSQTQRS-UHFFFAOYSA-N	-1	0	279.268	0.840	20	30		CCEDRM
C#CCOCCOC(=O)C1CCN(C(=O)[O-])CC1	ZINC000823463747	612990233	/nfs/dbraw/zinc/99/02/33/612990233.db2.gz	VWNLFKXLUJRTRY-UHFFFAOYSA-N	-1	0	255.270	0.569	20	30		CCEDRM
C#CCO[N-]C(=O)[C@@H](NC(=O)N1CCCC1)[C@H](C)CC	ZINC000855603933	612992467	/nfs/dbraw/zinc/99/24/67/612992467.db2.gz	VMZOHVAVWCMBEY-NEPJUHHUSA-N	-1	0	281.356	0.888	20	30		CCEDRM
C#CCO[N-]C(=O)[C@H](CCSC)NC(=O)c1ccco1	ZINC000812781817	612992935	/nfs/dbraw/zinc/99/29/35/612992935.db2.gz	HCPXZOOQDYZQNC-JTQLQIEISA-N	-1	0	296.348	0.812	20	30		CCEDRM
C#CCO[C@@H](C)C(=O)N[C@](C)(COC)CC(=O)[O-]	ZINC000909375113	612997492	/nfs/dbraw/zinc/99/74/92/612997492.db2.gz	VLPSRBHDTLXPBF-CABZTGNLSA-N	-1	0	257.286	0.021	20	30		CCEDRM
C#CCO[C@H](C)C(=O)N(C[C@H](C)C(=O)[O-])C1CC1	ZINC000909456218	612999175	/nfs/dbraw/zinc/99/91/75/612999175.db2.gz	CPJDPQNQNAQBQQ-VHSXEESVSA-N	-1	0	253.298	0.736	20	30		CCEDRM
C#CCO[C@H](C)C(=O)N1CCCC[C@@H]1CC(=O)[O-]	ZINC000909496973	612999320	/nfs/dbraw/zinc/99/93/20/612999320.db2.gz	KNOLGJNZOKDUHQ-GHMZBOCLSA-N	-1	0	253.298	0.881	20	30		CCEDRM
C#CCO[C@H](C)C(=O)[N-]S(=O)(=O)C1CCCC1	ZINC000835214878	613002156	/nfs/dbraw/zinc/00/21/56/613002156.db2.gz	VGHGZNQLCKCJAJ-SECBINFHSA-N	-1	0	259.327	0.413	20	30		CCEDRM
C#CC[C@@H](NC(=O)CCc1nc(C)cs1)C(=O)[O-]	ZINC000910050022	613039871	/nfs/dbraw/zinc/03/98/71/613039871.db2.gz	BYRCHQKZFPZEOV-SECBINFHSA-N	-1	0	266.322	0.977	20	30		CCEDRM
C#CC[C@@H](NC(=O)Cn1ccnc1C(C)C)C(=O)[O-]	ZINC000910050383	613040255	/nfs/dbraw/zinc/04/02/55/613040255.db2.gz	JEPLXMOERMOWCY-SNVBAGLBSA-N	-1	0	263.297	0.599	20	30		CCEDRM
C#CC[C@@H](NC(=O)[C@@H]1CCc2cccnc21)C(=O)[O-]	ZINC000910048984	613040783	/nfs/dbraw/zinc/04/07/83/613040783.db2.gz	QLCXYZRPJNIEHA-GHMZBOCLSA-N	-1	0	258.277	0.704	20	30		CCEDRM
C#CC[C@@H](NC(=O)c1ccc(C)nc1NC)C(=O)[O-]	ZINC000910052079	613041860	/nfs/dbraw/zinc/04/18/60/613041860.db2.gz	NPMJETIPIZDBIG-SNVBAGLBSA-N	-1	0	261.281	0.638	20	30		CCEDRM
C#CC[C@@H](NC(=O)c1cnc(NCC)s1)C(=O)[O-]	ZINC000910050337	613042208	/nfs/dbraw/zinc/04/22/08/613042208.db2.gz	IGSLNAJMQOSBNW-SSDOTTSWSA-N	-1	0	267.310	0.781	20	30		CCEDRM
C#CCCNC(=O)[C@@H](O)c1ccc(-c2nn[nH]n2)cc1	ZINC000823844581	613047642	/nfs/dbraw/zinc/04/76/42/613047642.db2.gz	BTNAQSFOIJEWON-NSHDSACASA-N	-1	0	271.280	0.040	20	30		CCEDRM
C#CCCNS(=O)(=O)c1ccc(C)cc1C(=O)[O-]	ZINC000833364711	613048124	/nfs/dbraw/zinc/04/81/24/613048124.db2.gz	AUSRDHUNJNXEBD-UHFFFAOYSA-N	-1	0	267.306	0.995	20	30		CCEDRM
C#CCCS(=O)(=O)[N-]C(=O)C(C)(C)CCC(C)=O	ZINC000810781100	613052600	/nfs/dbraw/zinc/05/26/00/613052600.db2.gz	FNNYIJVBCOGOTA-UHFFFAOYSA-N	-1	0	273.354	0.851	20	30		CCEDRM
C#CCCS(=O)(=O)[N-]C(=O)[C@@H](C)c1c(C)noc1C	ZINC000810786736	613053000	/nfs/dbraw/zinc/05/30/00/613053000.db2.gz	UZZSHSGWWKPZPS-QMMMGPOBSA-N	-1	0	284.337	0.864	20	30		CCEDRM
C#CCCS(=O)(=O)[N-]C(=O)[C@@]1(C)CCCOC1	ZINC000810781789	613053176	/nfs/dbraw/zinc/05/31/76/613053176.db2.gz	DHUWOWUXJOTUKE-NSHDSACASA-N	-1	0	259.327	0.272	20	30		CCEDRM
C#CCCS(=O)(=O)[N-]C(=O)c1cn(C)nc1CC	ZINC000791111744	613053783	/nfs/dbraw/zinc/05/37/83/613053783.db2.gz	XNQGWUPXIYNFIL-UHFFFAOYSA-N	-1	0	269.326	0.065	20	30		CCEDRM
C#CCCS(=O)(=O)[N-]C(=O)c1cn(C(C)(C)C)nn1	ZINC000810779243	613053847	/nfs/dbraw/zinc/05/38/47/613053847.db2.gz	FMGCJSYDLMIRPB-UHFFFAOYSA-N	-1	0	284.341	0.116	20	30		CCEDRM
C#CCCS(=O)(=O)[N-]C(=O)c1cn(C)nc1C(C)C	ZINC000810779901	613053861	/nfs/dbraw/zinc/05/38/61/613053861.db2.gz	GJZFBCULQFMIHZ-UHFFFAOYSA-N	-1	0	283.353	0.626	20	30		CCEDRM
C#CCCS(=O)(=O)[N-]C(=O)c1noc2c1CCCC2	ZINC000810782119	613053959	/nfs/dbraw/zinc/05/39/59/613053959.db2.gz	XSMBINNUCJZSDQ-UHFFFAOYSA-N	-1	0	282.321	0.636	20	30		CCEDRM
C#CC[C@H](CO)NC(=O)c1oc(C(=O)[O-])cc1C	ZINC000911394650	613058245	/nfs/dbraw/zinc/05/82/45/613058245.db2.gz	BNYCIKOGFWIACH-MRVPVSSYSA-N	-1	0	251.238	0.400	20	30		CCEDRM
C#CCC[C@H](O)CN=c1nn[n-]n1Cc1ccccc1	ZINC000893674160	613059994	/nfs/dbraw/zinc/05/99/94/613059994.db2.gz	WYQDUQSSQHLHHL-ZDUSSCGKSA-N	-1	0	271.324	0.330	20	30		CCEDRM
C#CC[C@H](NC(=O)C1(C)CCC(=O)CC1)C(=O)[O-]	ZINC000910051450	613067416	/nfs/dbraw/zinc/06/74/16/613067416.db2.gz	VMWNEWWXQGAUJF-JTQLQIEISA-N	-1	0	251.282	0.729	20	30		CCEDRM
C#CC[C@H](NC(=O)CC[C@H]1CC[C@H](C)O1)C(=O)[O-]	ZINC000910053935	613067598	/nfs/dbraw/zinc/06/75/98/613067598.db2.gz	FJGOFGBWEUBCGY-AXFHLTTASA-N	-1	0	253.298	0.927	20	30		CCEDRM
C#CC[C@H](NC(=O)C(C)(C)c1cccnc1)C(=O)[O-]	ZINC000910048214	613067465	/nfs/dbraw/zinc/06/74/65/613067465.db2.gz	GURITEPBTWIJLP-NSHDSACASA-N	-1	0	260.293	0.952	20	30		CCEDRM
C#CC[C@H](NC(=O)COc1ccc(OC)c(C)c1)C(=O)[O-]	ZINC000910054156	613067920	/nfs/dbraw/zinc/06/79/20/613067920.db2.gz	MOSFTLVXPAQUNE-LBPRGKRZSA-N	-1	0	291.303	0.975	20	30		CCEDRM
C#CC[C@H](NC(=O)C[C@H]1CC[C@@H](C2CC2)O1)C(=O)[O-]	ZINC000923090051	613068027	/nfs/dbraw/zinc/06/80/27/613068027.db2.gz	PDVJVMSBLVUBBW-WOPDTQHZSA-N	-1	0	265.309	0.927	20	30		CCEDRM
C#CC[C@H](NC(=O)Cc1cccc(NC(C)=O)c1)C(=O)[O-]	ZINC000910046015	613068339	/nfs/dbraw/zinc/06/83/39/613068339.db2.gz	JLQOSMHQYCQLFW-ZDUSSCGKSA-N	-1	0	288.303	0.780	20	30		CCEDRM
C#CC[C@H](NC(=O)c1ccc2c(n1)OCCO2)C(=O)[O-]	ZINC000910045746	613070371	/nfs/dbraw/zinc/07/03/71/613070371.db2.gz	GFNRIERANIYJTB-VIFPVBQESA-N	-1	0	276.248	0.059	20	30		CCEDRM
C#CCc1c(C)[n-]n(-c2nccc(N3CCOCC3)n2)c1=O	ZINC000899351418	613071476	/nfs/dbraw/zinc/07/14/76/613071476.db2.gz	JQFQRSMLIISIGA-GFCCVEGCSA-N	-1	0	299.334	0.675	20	30		CCEDRM
C#CCn1ccc(CN(CC)C(=O)[C@@H]2C[C@H]2C(=O)[O-])n1	ZINC000907846984	613078542	/nfs/dbraw/zinc/07/85/42/613078542.db2.gz	LCYVULMZHUMUMY-VXGBXAGGSA-N	-1	0	275.308	0.586	20	30		CCEDRM
C#C[C@@H](NC(=O)CC1(C(=O)[O-])CCOCC1)[C@H]1CCCO1	ZINC000911581286	613091667	/nfs/dbraw/zinc/09/16/67/613091667.db2.gz	XFHOTLUVBWRWTQ-VXGBXAGGSA-N	-1	0	295.335	0.555	20	30		CCEDRM
C#C[C@@H](NC(=O)[C@H]1C[C@@H](C)[C@H](C(=O)[O-])O1)[C@@H]1CCCO1	ZINC000911579224	613098461	/nfs/dbraw/zinc/09/84/61/613098461.db2.gz	OLMACSXDZQGVMF-RMPHRYRLSA-N	-1	0	281.308	0.162	20	30		CCEDRM
C#CCN(CC#C)C[C@@H](O)COc1ccc(C(=O)[O-])cc1	ZINC000825609140	613099096	/nfs/dbraw/zinc/09/90/96/613099096.db2.gz	WLIZZXYQOHUCLC-CQSZACIVSA-N	-1	0	287.315	0.693	20	30		CCEDRM
C#CCN(CC)C(=O)C(=O)Nc1ccccc1C(=O)[O-]	ZINC000819700774	613105275	/nfs/dbraw/zinc/10/52/75/613105275.db2.gz	IHCAYJCEKJJILQ-UHFFFAOYSA-N	-1	0	274.276	0.805	20	30		CCEDRM
C#CCN(CC)S(=O)(=O)CC1(CC(=O)[O-])CC1	ZINC000825614530	613106670	/nfs/dbraw/zinc/10/66/70/613106670.db2.gz	QFJRTAFLUQIOOZ-UHFFFAOYSA-N	-1	0	259.327	0.526	20	30		CCEDRM
C#C[C@@H]1COCCN1C(=O)NCc1cccc(C(=O)[O-])c1	ZINC000840993175	613109911	/nfs/dbraw/zinc/10/99/11/613109911.db2.gz	MDSBFINCOWJUGG-CYBMUJFWSA-N	-1	0	288.303	0.928	20	30		CCEDRM
C#C[C@H](CCC)NC(=O)c1ccc([N-]S(C)(=O)=O)nc1	ZINC000861296761	613124355	/nfs/dbraw/zinc/12/43/55/613124355.db2.gz	FUBQUKKVUUCLRY-LLVKDONJSA-N	-1	0	295.364	0.985	20	30		CCEDRM
C#C[C@H](CO)[N-]S(=O)(=O)c1onc(C2CC2)c1Cl	ZINC000867341087	613130944	/nfs/dbraw/zinc/13/09/44/613130944.db2.gz	IBKPHKYMOKFULF-SSDOTTSWSA-N	-1	0	290.728	0.478	20	30		CCEDRM
C#C[C@H](NC(=O)N1CC[C@H](C(=O)[O-])[C@H](C)C1)[C@@H]1CCCO1	ZINC000861455714	613137371	/nfs/dbraw/zinc/13/73/71/613137371.db2.gz	SJWHJVKDGVYHKI-VOAKCMCISA-N	-1	0	294.351	0.919	20	30		CCEDRM
C#C[C@H](NC(=O)c1ccc(C(=O)[O-])nc1)C1CCOCC1	ZINC000911789047	613148675	/nfs/dbraw/zinc/14/86/75/613148675.db2.gz	FEWHUYLQVQDJBY-LBPRGKRZSA-N	-1	0	288.303	0.938	20	30		CCEDRM
C#C[C@H](NC(=O)c1csc(C(=O)[O-])n1)[C@H]1CCCO1	ZINC000911579745	613149864	/nfs/dbraw/zinc/14/98/64/613149864.db2.gz	PLFRDAITJBRRFY-IONNQARKSA-N	-1	0	280.305	0.752	20	30		CCEDRM
C#C[C@](C)(CC)NC(=O)CCCn1c(=O)[n-][nH]c1=O	ZINC000908529880	613163391	/nfs/dbraw/zinc/16/33/91/613163391.db2.gz	QQVHPULCAHUEBG-GFCCVEGCSA-N	-1	0	266.301	0.388	20	30		CCEDRM
C#Cc1ccc(C(=O)N2CCO[C@@H](C(=O)[O-])C2)cc1	ZINC000909217089	613171129	/nfs/dbraw/zinc/17/11/29/613171129.db2.gz	LLNJFNMBCGIGES-GFCCVEGCSA-N	-1	0	259.261	0.594	20	30		CCEDRM
C#Cc1ccc(C(=O)N2CC[C@](F)(C(=O)[O-])C2)cn1	ZINC000825636880	613174798	/nfs/dbraw/zinc/17/47/98/613174798.db2.gz	WDMLDEJCCOYIGF-CYBMUJFWSA-N	-1	0	262.240	0.702	20	30		CCEDRM
C#CCN1CCC[C@@H]1COC(=O)c1cc(C(=O)[O-])no1	ZINC000833364000	613177175	/nfs/dbraw/zinc/17/71/75/613177175.db2.gz	CMRFSNDKCKPBJL-SECBINFHSA-N	-1	0	278.264	0.627	20	30		CCEDRM
C#Cc1ccc(C(=O)N[C@@]2(C(=O)[O-])CCSC2)nc1	ZINC000833368329	613187977	/nfs/dbraw/zinc/18/79/77/613187977.db2.gz	LKXGFLMDIHDBKC-ZDUSSCGKSA-N	-1	0	276.317	0.753	20	30		CCEDRM
C#CCN1CCC[C@H]1C(=O)NCC(C)(C)CC(=O)[O-]	ZINC000910829204	613198483	/nfs/dbraw/zinc/19/84/83/613198483.db2.gz	FSZXJGNBQYKNKZ-NSHDSACASA-N	-1	0	266.341	0.701	20	30		CCEDRM
C#CCN1CCC[C@H]1C(=O)NCCc1n[n-]c(=S)o1	ZINC000907461918	613199507	/nfs/dbraw/zinc/19/95/07/613199507.db2.gz	OSPAFQNPSHLXSA-VIFPVBQESA-N	-1	0	280.353	0.115	20	30		CCEDRM
C#CCN1CCN(C(=O)CN(CC2CC2)C(=O)[O-])CC1	ZINC000823455993	613205369	/nfs/dbraw/zinc/20/53/69/613205369.db2.gz	IWOOFXHTRFLSQE-UHFFFAOYSA-N	-1	0	279.340	0.154	20	30		CCEDRM
C#Cc1cncc(C(=O)N[C@@H](C(=O)[O-])C2CCOCC2)c1	ZINC000910014521	613219051	/nfs/dbraw/zinc/21/90/51/613219051.db2.gz	GLIFAJRTZOJHPS-CYBMUJFWSA-N	-1	0	288.303	0.673	20	30		CCEDRM
C=C(C)C(C)(C)C(=O)[N-]S(=O)(=O)N1CCOCC1	ZINC000820123633	613244454	/nfs/dbraw/zinc/24/44/54/613244454.db2.gz	GHVQXGKJTAJSOI-UHFFFAOYSA-N	-1	0	276.358	0.282	20	30		CCEDRM
C#CCNC(=O)COC(=O)c1cccc(C(=O)[O-])c1	ZINC000819700867	613333199	/nfs/dbraw/zinc/33/31/99/613333199.db2.gz	LZXOZDDJKDNNIH-UHFFFAOYSA-N	-1	0	261.233	0.291	20	30		CCEDRM
C=C(C)COCCNC(=O)NC(C)(C)CNC(=O)[O-]	ZINC000823480560	613352067	/nfs/dbraw/zinc/35/20/67/613352067.db2.gz	GRJVEWBTVXCSSS-UHFFFAOYSA-N	-1	0	273.333	0.925	20	30		CCEDRM
C=C(C)CO[N-]C(=O)C(=O)Nc1c(C)c(C)nn1C	ZINC000846145965	613352346	/nfs/dbraw/zinc/35/23/46/613352346.db2.gz	JLLCULOOAMVKTC-UHFFFAOYSA-N	-1	0	266.301	0.599	20	30		CCEDRM
C=C(C)CO[N-]C(=O)CS(=O)(=O)N(CC)CC	ZINC000846538957	613352452	/nfs/dbraw/zinc/35/24/52/613352452.db2.gz	MWFAGLSKOKGSKP-UHFFFAOYSA-N	-1	0	264.347	0.282	20	30		CCEDRM
C=C(C)CO[N-]C(=O)CN(C)c1ncnc2nc[nH]c21	ZINC000846538413	613352564	/nfs/dbraw/zinc/35/25/64/613352564.db2.gz	QONOTKDGDCSLPZ-UHFFFAOYSA-N	-1	0	276.300	0.413	20	30		CCEDRM
C=C(C)CO[N-]C(=O)Cn1c(C)ncc1[N+](=O)[O-]	ZINC000824033140	613352619	/nfs/dbraw/zinc/35/26/19/613352619.db2.gz	DBPDYDWLHAYNKI-UHFFFAOYSA-N	-1	0	254.246	0.724	20	30		CCEDRM
C=C(C)CO[N-]C(=O)[C@@H](C(C)C)N1CCCS1(=O)=O	ZINC000846536769	613353731	/nfs/dbraw/zinc/35/37/31/613353731.db2.gz	ZGAKBUCPNKRYNR-LLVKDONJSA-N	-1	0	290.385	0.670	20	30		CCEDRM
C=C(C)CO[N-]C(=O)[C@@H]1COCCN1CC(F)F	ZINC000846536193	613353760	/nfs/dbraw/zinc/35/37/60/613353760.db2.gz	XJLAXPOBGYRXQU-VIFPVBQESA-N	-1	0	264.272	0.576	20	30		CCEDRM
C=C(C)CO[N-]C(=O)[C@@H](CO)NC(=O)OC(C)(C)C	ZINC000824028762	613353792	/nfs/dbraw/zinc/35/37/92/613353792.db2.gz	RZTMBADCEGOEBO-SECBINFHSA-N	-1	0	274.317	0.496	20	30		CCEDRM
C=C(C)CO[N-]C(=O)[C@@H]1C[C@H](O)CN1c1ccncn1	ZINC000824233824	613353837	/nfs/dbraw/zinc/35/38/37/613353837.db2.gz	YVEVTLRFZGSHBH-QWRGUYRKSA-N	-1	0	278.312	0.040	20	30		CCEDRM
C=C(C)CO[N-]C(=O)c1c(C)c(C)nn(C)c1=O	ZINC000846536356	613353880	/nfs/dbraw/zinc/35/38/80/613353880.db2.gz	IDFCPQILSZOWNK-UHFFFAOYSA-N	-1	0	251.286	0.635	20	30		CCEDRM
C=C(C)CS(=O)(=O)N1[C@H](C(=O)[O-])C[C@@H]2OCC[C@@H]21	ZINC000926595647	613354095	/nfs/dbraw/zinc/35/40/95/613354095.db2.gz	JWTZGCJYYSWQRE-GUBZILKMSA-N	-1	0	275.326	0.209	20	30		CCEDRM
C=C(C)CS(=O)(=O)N[C@H]1CCO[C@](C)(C(=O)[O-])C1	ZINC000906009277	613354309	/nfs/dbraw/zinc/35/43/09/613354309.db2.gz	LHHCEIVRQXDXSW-ONGXEEELSA-N	-1	0	277.342	0.504	20	30		CCEDRM
C=C(C)C[C@@H](CO)NS(=O)(=O)c1ccccc1[O-]	ZINC000882844794	613355579	/nfs/dbraw/zinc/35/55/79/613355579.db2.gz	AOGLVLILBBRZMP-JTQLQIEISA-N	-1	0	271.338	0.998	20	30		CCEDRM
C=C(C)C[C@@H](NC(=O)[C@H](C)n1cncn1)C(=O)[O-]	ZINC000864188375	613356042	/nfs/dbraw/zinc/35/60/42/613356042.db2.gz	TYWKJBFCCAKTBF-DTWKUNHWSA-N	-1	0	252.274	0.375	20	30		CCEDRM
C=C(C)C[C@@H](NC(=O)c1nn(CC)nc1C)C(=O)[O-]	ZINC000910293460	613356233	/nfs/dbraw/zinc/35/62/33/613356233.db2.gz	ZHRQVIFRYCBYAB-SECBINFHSA-N	-1	0	266.301	0.756	20	30		CCEDRM
C=C(C)C[C@@H](NC(C)=O)C(=O)[N-]OCCOC(C)C	ZINC000854578161	613356486	/nfs/dbraw/zinc/35/64/86/613356486.db2.gz	SBHKTLGCKXIHHR-GFCCVEGCSA-N	-1	0	272.345	0.930	20	30		CCEDRM
C=C(C)C[C@@H](NS(=O)(=O)c1cncc(F)c1)C(=O)[O-]	ZINC000864452806	613356886	/nfs/dbraw/zinc/35/68/86/613356886.db2.gz	SXUIYHZUAYORCN-SNVBAGLBSA-N	-1	0	288.300	0.918	20	30		CCEDRM
C=C(C)C[C@H](CO)NS(=O)(=O)c1c(C)noc1C	ZINC000882849390	613358573	/nfs/dbraw/zinc/35/85/73/613358573.db2.gz	IFXKYIZAMVWIMG-SNVBAGLBSA-N	-1	0	274.342	0.897	20	30		CCEDRM
C=C(C)C[C@H](NC(=O)c1cc2n(n1)CCO2)C(=O)[O-]	ZINC000910293349	613359216	/nfs/dbraw/zinc/35/92/16/613359216.db2.gz	XBWVCHNHTGLLRP-VIFPVBQESA-N	-1	0	265.269	0.425	20	30		CCEDRM
C=C(C)C[C@H](NC(C)=O)C(=O)[N-]S(=O)(=O)[C@H](C)CC	ZINC000850941978	613359449	/nfs/dbraw/zinc/35/94/49/613359449.db2.gz	AUDYFRVTRVJSFY-KOLCDFICSA-N	-1	0	290.385	0.702	20	30		CCEDRM
C=C(C)C[C@H](NS(=O)(=O)C[C@@H]1CCCOC1)C(=O)[O-]	ZINC000871995674	613359853	/nfs/dbraw/zinc/35/98/53/613359853.db2.gz	DYDFHCJGZQVBJF-MNOVXSKESA-N	-1	0	291.369	0.752	20	30		CCEDRM
C=C(C)[C@H](CO)n1cc(C[N-]C(=O)C(F)(F)F)nn1	ZINC000881319421	613362631	/nfs/dbraw/zinc/36/26/31/613362631.db2.gz	BTLOUHFQSIFKGS-QMMMGPOBSA-N	-1	0	278.234	0.566	20	30		CCEDRM
C=C(Cl)C[C@@H](NC(=O)NC[C@H]1COCCO1)C(=O)[O-]	ZINC000864526876	613388641	/nfs/dbraw/zinc/38/86/41/613388641.db2.gz	RNMFUFUSRFUINM-DTWKUNHWSA-N	-1	0	292.719	0.297	20	30		CCEDRM
C=C(Cl)C[C@@H](NS(=O)(=O)[C@@H]1CCOC1)C(=O)[O-]	ZINC000863419482	613388771	/nfs/dbraw/zinc/38/87/71/613388771.db2.gz	AWQAIJNFOPZUGI-HTQZYQBOSA-N	-1	0	283.733	0.291	20	30		CCEDRM
C=C(Cl)C[C@H](NC(=O)C1CCN(OC)CC1)C(=O)[O-]	ZINC000910270939	613390506	/nfs/dbraw/zinc/39/05/06/613390506.db2.gz	LMZASYXCZZIEPH-JTQLQIEISA-N	-1	0	290.747	0.972	20	30		CCEDRM
C=C(Cl)C[C@H](NC(=O)COC1CCOCC1)C(=O)[O-]	ZINC000910267767	613390594	/nfs/dbraw/zinc/39/05/94/613390594.db2.gz	UVRHLUNJHVRDPH-JTQLQIEISA-N	-1	0	291.731	0.894	20	30		CCEDRM
C=C(Cl)C[C@H](NC(=O)c1cncn1C)C(=O)[O-]	ZINC000864190173	613390756	/nfs/dbraw/zinc/39/07/56/613390756.db2.gz	YVYXDMHVTJQKOX-ZETCQYMHSA-N	-1	0	257.677	0.746	20	30		CCEDRM
C=C(Cl)C[C@H](NC(=O)c1cnc(N(C)C)cn1)C(=O)[O-]	ZINC000910270019	613390857	/nfs/dbraw/zinc/39/08/57/613390857.db2.gz	GCNCNHUPXADLKP-QMMMGPOBSA-N	-1	0	298.730	0.868	20	30		CCEDRM
C=CC[C@@H](CO)CNC(=O)c1ccc(-c2nn[nH]n2)[nH]1	ZINC000823888644	613402515	/nfs/dbraw/zinc/40/25/15/613402515.db2.gz	SKLUOLKTECLZDO-MRVPVSSYSA-N	-1	0	276.300	0.109	20	30		CCEDRM
C=CC[C@H](C)NC(=O)C(=O)Nc1cc(C(=O)[O-])n(C)c1	ZINC000833371248	613413671	/nfs/dbraw/zinc/41/36/71/613413671.db2.gz	REJYANZXANIBNC-QMMMGPOBSA-N	-1	0	279.296	0.743	20	30		CCEDRM
C=CC[C@H]1CCN(C(=O)C(=O)NC[C@H](CC)C(=O)[O-])C1	ZINC000927959385	613421751	/nfs/dbraw/zinc/42/17/51/613421751.db2.gz	NQECQGNIRWVXRX-QWRGUYRKSA-N	-1	0	282.340	0.638	20	30		CCEDRM
C=CCn1cc(C(=O)OCc2n[n-]c(C)cc2=O)nn1	ZINC000842763619	613433170	/nfs/dbraw/zinc/43/31/70/613433170.db2.gz	ALSQWXUSJIQKSO-UHFFFAOYSA-N	-1	0	275.268	0.625	20	30		CCEDRM
C=CC(C)(C)C(=O)N1CC[C@@H](n2cc(C(=O)[O-])nn2)C1	ZINC000910099088	613437205	/nfs/dbraw/zinc/43/72/05/613437205.db2.gz	OJAUJHVSDYYZJI-SECBINFHSA-N	-1	0	278.312	0.962	20	30		CCEDRM
C=CCn1nnn(CN2CC[C@@](F)(C(=O)[O-])C2)c1=S	ZINC000825710923	613439236	/nfs/dbraw/zinc/43/92/36/613439236.db2.gz	HKQJDLDTHRLHKH-JTQLQIEISA-N	-1	0	287.320	0.451	20	30		CCEDRM
C=C[C@@H](C)NC(=O)NCCN1CCN(C(=O)[O-])CC1	ZINC000823491065	613442307	/nfs/dbraw/zinc/44/23/07/613442307.db2.gz	QCHIPDDPRLWPHU-SNVBAGLBSA-N	-1	0	270.333	0.156	20	30		CCEDRM
C=C[C@@H](C)O[N-]C(=O)C(=O)Nc1c(C)c(C)nn1C	ZINC000846154024	613442869	/nfs/dbraw/zinc/44/28/69/613442869.db2.gz	NDULPUIINKLNLA-SSDOTTSWSA-N	-1	0	266.301	0.598	20	30		CCEDRM
C=CC(C)(C)C(=O)[N-]S(=O)(=O)CC(C)(C)C(=O)OC	ZINC000835452409	613444095	/nfs/dbraw/zinc/44/40/95/613444095.db2.gz	WGQBZXHBPRYUIA-UHFFFAOYSA-N	-1	0	291.369	0.844	20	30		CCEDRM
C=CC(C)(C)CC(=O)N1CCOC[C@@H]1c1nnn[n-]1	ZINC000913493635	613445073	/nfs/dbraw/zinc/44/50/73/613445073.db2.gz	DVZWILHESZYCMS-SECBINFHSA-N	-1	0	265.317	0.702	20	30		CCEDRM
C=C[C@@H](C)O[N-]C(=O)[C@@H](C)N1C(=O)NC2(CCCC2)C1=O	ZINC000846549162	613447167	/nfs/dbraw/zinc/44/71/67/613447167.db2.gz	IGSHWZYLISPVFL-NXEZZACHSA-N	-1	0	295.339	0.862	20	30		CCEDRM
C=C[C@@H](C)O[N-]C(=O)[C@@H]1OCCO[C@@H]1C(F)(F)F	ZINC000869153620	613447215	/nfs/dbraw/zinc/44/72/15/613447215.db2.gz	DIYYKHADNKMFHZ-PRJMDXOYSA-N	-1	0	269.219	0.955	20	30		CCEDRM
C=C[C@@H](C)O[N-]C(=O)[C@@]12CCC(=O)N1CCS2	ZINC000846543492	613447241	/nfs/dbraw/zinc/44/72/41/613447241.db2.gz	KUWHMCCWZKPVQV-KCJUWKMLSA-N	-1	0	256.327	0.674	20	30		CCEDRM
C=C[C@@H](O)C(=O)N1CCc2c(cccc2C(=O)[O-])C1	ZINC000910070057	613450475	/nfs/dbraw/zinc/45/04/75/613450475.db2.gz	GRVVMQXAZFZIKT-GFCCVEGCSA-N	-1	0	261.277	0.816	20	30		CCEDRM
C=CC1(S(=O)(=O)[N-]C(=O)Cc2ccn(CC)n2)CC1	ZINC000870838928	613450773	/nfs/dbraw/zinc/45/07/73/613450773.db2.gz	RULGKITYGNUSRK-UHFFFAOYSA-N	-1	0	283.353	0.610	20	30		CCEDRM
C=CC1(S(=O)(=O)[N-]C(=O)[C@@H](N)CC(=C)Cl)CC1	ZINC000901059963	613450798	/nfs/dbraw/zinc/45/07/98/613450798.db2.gz	UYOKSRJUMPMVQH-QMMMGPOBSA-N	-1	0	278.761	0.621	20	30		CCEDRM
C=CC1(S(=O)(=O)[N-]C(=O)c2cccn2C)CC1	ZINC000870831614	613451974	/nfs/dbraw/zinc/45/19/74/613451974.db2.gz	YGGLOJNROJASOS-UHFFFAOYSA-N	-1	0	254.311	0.803	20	30		CCEDRM
C=CC1(S(=O)(=O)[N-]C(=O)c2cn(C)nc2C)CC1	ZINC000870835009	613451977	/nfs/dbraw/zinc/45/19/77/613451977.db2.gz	YNCOTALRPXKJRB-UHFFFAOYSA-N	-1	0	269.326	0.507	20	30		CCEDRM
C=CC1(S(=O)(=O)[N-]C(=O)c2ncccc2OC)CC1	ZINC000870839839	613452196	/nfs/dbraw/zinc/45/21/96/613452196.db2.gz	XRGZGAQLTBTDJF-UHFFFAOYSA-N	-1	0	282.321	0.868	20	30		CCEDRM
C=CC1(S(=O)(=O)[N-]C(=O)c2cnn3cccnc23)CC1	ZINC000870830659	613452262	/nfs/dbraw/zinc/45/22/62/613452262.db2.gz	BBDBXJXVFVHHGV-UHFFFAOYSA-N	-1	0	292.320	0.508	20	30		CCEDRM
C=CC1(S(=O)(=O)[N-]C(=O)c2nnn(C(C)C)c2C)CC1	ZINC000870838373	613452365	/nfs/dbraw/zinc/45/23/65/613452365.db2.gz	WJNLCYQUSWATQN-UHFFFAOYSA-N	-1	0	298.368	0.946	20	30		CCEDRM
C=CCC(C)(C)C(=O)[N-]S(=O)(=O)c1cn(C)cn1	ZINC000838993344	613452892	/nfs/dbraw/zinc/45/28/92/613452892.db2.gz	UJYMDPHBUBIJJZ-UHFFFAOYSA-N	-1	0	271.342	0.827	20	30		CCEDRM
C=CCC(C)(C)C(=O)N[C@@H](C)C(=O)N[C@H](C)C(=O)[O-]	ZINC000910748713	613452928	/nfs/dbraw/zinc/45/29/28/613452928.db2.gz	VQUPUOQFCIDUAJ-DTWKUNHWSA-N	-1	0	270.329	0.683	20	30		CCEDRM
C=C[C@@H](O)C(=O)Nc1cc(S(=O)(=O)CC)ccc1[O-]	ZINC000816823086	613453103	/nfs/dbraw/zinc/45/31/03/613453103.db2.gz	HVDSVUFRXAQQHP-SNVBAGLBSA-N	-1	0	285.321	0.671	20	30		CCEDRM
C=C[C@@H](O)C(=O)N[C@](C)(CC(=O)[O-])c1ccncc1	ZINC000911620247	613453128	/nfs/dbraw/zinc/45/31/28/613453128.db2.gz	OJNOYDVHWUOAQV-ZWNOBZJWSA-N	-1	0	264.281	0.435	20	30		CCEDRM
C=CCC1(S(=O)(=O)[N-]C(=O)[C@H]2C[C@]23CCOC3)CC1	ZINC000810980233	613461421	/nfs/dbraw/zinc/46/14/21/613461421.db2.gz	SDXCPKBONAXQRB-PWSUYJOCSA-N	-1	0	285.365	0.968	20	30		CCEDRM
C=CCCC(=O)Cn1nc(C(=O)OC)cc1C(=O)[O-]	ZINC000833373594	613462002	/nfs/dbraw/zinc/46/20/02/613462002.db2.gz	UAMRIGQIGMZPHN-UHFFFAOYSA-N	-1	0	266.253	0.903	20	30		CCEDRM
C=C[C@@H]1OCC[C@H]1C(=O)[N-]S(=O)(=O)C1(C(F)F)CC1	ZINC000861159117	613465681	/nfs/dbraw/zinc/46/56/81/613465681.db2.gz	FJOTTZOWSXCJHU-SFYZADRCSA-N	-1	0	295.307	0.821	20	30		CCEDRM
C=C[C@@H]1OCC[C@H]1C(=O)[N-]S(=O)(=O)CC(F)F	ZINC000851363061	613465771	/nfs/dbraw/zinc/46/57/71/613465771.db2.gz	ACFVLYJUISEGQG-RQJHMYQMSA-N	-1	0	269.269	0.289	20	30		CCEDRM
C=CCCCCNC(=O)CCCn1c(=O)[n-][nH]c1=O	ZINC000907445251	613466306	/nfs/dbraw/zinc/46/63/06/613466306.db2.gz	ABUYNMOPQXQYLW-UHFFFAOYSA-N	-1	0	268.317	0.942	20	30		CCEDRM
C=CCCC[C@@H](NC(=O)[C@@]1(O)CCSC1)C(=O)[O-]	ZINC000910915839	613470956	/nfs/dbraw/zinc/47/09/56/613470956.db2.gz	BSBNBHUZTOCSSX-BXKDBHETSA-N	-1	0	273.354	0.780	20	30		CCEDRM
C=CCCC[C@@H](NC(=O)c1cnc2n1CCOC2)C(=O)[O-]	ZINC000910925669	613471514	/nfs/dbraw/zinc/47/15/14/613471514.db2.gz	NFRXAKJRMCOFJU-SNVBAGLBSA-N	-1	0	293.323	0.953	20	30		CCEDRM
C=CCCC[C@H](NC(=O)c1cnnn1CC)C(=O)[O-]	ZINC000910917642	613474858	/nfs/dbraw/zinc/47/48/58/613474858.db2.gz	SSYVTXZCNPBFKA-VIFPVBQESA-N	-1	0	266.301	0.837	20	30		CCEDRM
C=C[C@@](C)(CCOC)C(=O)N[C@@H]1CCCN(O)C1=O	ZINC000848134194	613476676	/nfs/dbraw/zinc/47/66/76/613476676.db2.gz	PFSBWDMKQYNSJV-MFKMUULPSA-N	-1	0	270.329	0.712	20	30		CCEDRM
C=C[C@@](C)(CCOC)C(=O)N[C@H](COC)C(=O)[O-]	ZINC000909658594	613476925	/nfs/dbraw/zinc/47/69/25/613476925.db2.gz	GFHCJYCTRSVKNW-SKDRFNHKSA-N	-1	0	259.302	0.431	20	30		CCEDRM
C=C[C@@](C)(O)C(=O)N1CCC2(C[C@H]2C(=O)[O-])CC1	ZINC000908652237	613477504	/nfs/dbraw/zinc/47/75/04/613477504.db2.gz	LXFUUZPREYXBDZ-JOYOIKCWSA-N	-1	0	253.298	0.637	20	30		CCEDRM
C=C[C@H](C)NS(=O)(=O)c1ccc(-c2nn[nH]n2)cc1	ZINC000819729039	613483439	/nfs/dbraw/zinc/48/34/39/613483439.db2.gz	ASKIKPPQDZNZEV-QMMMGPOBSA-N	-1	0	279.325	0.720	20	30		CCEDRM
C=C[C@H](C)O[N-]C(=O)C1(S(C)(=O)=O)CCCC1	ZINC000846549841	613483665	/nfs/dbraw/zinc/48/36/65/613483665.db2.gz	KTQYIVDGHZINEI-VIFPVBQESA-N	-1	0	261.343	0.966	20	30		CCEDRM
C=C[C@H](C)O[N-]C(=O)[C@@H]1COCCN1CC(F)(F)F	ZINC000846553232	613488318	/nfs/dbraw/zinc/48/83/18/613488318.db2.gz	ZVQMBAVDILMLHN-IUCAKERBSA-N	-1	0	282.262	0.872	20	30		CCEDRM
C=C[C@H](C)O[N-]C(=O)[C@H](O)[C@@H](O)c1nc2ccccc2[nH]1	ZINC000846551143	613488360	/nfs/dbraw/zinc/48/83/60/613488360.db2.gz	XCZDDQFEYYEQER-XXILOJSOSA-N	-1	0	291.307	0.580	20	30		CCEDRM
C=C[C@H](O)C(=O)NC[C@@](C)(C(=O)[O-])c1ccccc1	ZINC000909603062	613495916	/nfs/dbraw/zinc/49/59/16/613495916.db2.gz	XJGMEHXHENYMDZ-SMDDNHRTSA-N	-1	0	263.293	0.692	20	30		CCEDRM
C=C[C@](C)(CCOC)C(=O)NCC(=O)[N-]OCC	ZINC000846493102	613505423	/nfs/dbraw/zinc/50/54/23/613505423.db2.gz	NJYVMUKRQRPJMK-GFCCVEGCSA-N	-1	0	258.318	0.399	20	30		CCEDRM
CC(=O)N1CC[C@H](NC(=O)[C@@](C)(C#N)CC(=O)[O-])[C@H](C)C1	ZINC000819732036	613540381	/nfs/dbraw/zinc/54/03/81/613540381.db2.gz	SWELOSKVVKMOAP-OLUVUFQESA-N	-1	0	295.339	0.364	20	30		CCEDRM
C=CCCNC(=O)C(=O)N1CC[C@@](C)(C(=O)[O-])C1	ZINC000851683499	613568133	/nfs/dbraw/zinc/56/81/33/613568133.db2.gz	HUHOBYXEASBFEA-GFCCVEGCSA-N	-1	0	254.286	0.002	20	30		CCEDRM
C=CCCOCC(=O)N1CC[C@H](C(=O)[O-])C[C@@H]1C(=O)OC	ZINC000833374159	613571353	/nfs/dbraw/zinc/57/13/53/613571353.db2.gz	SZACEZSOBYXCOH-WDEREUQCSA-N	-1	0	299.323	0.444	20	30		CCEDRM
C=CCCOCC(=O)N1CCO[C@H]([C@@H](C)NC(=O)[O-])C1	ZINC000823495921	613571663	/nfs/dbraw/zinc/57/16/63/613571663.db2.gz	ANGLGYHVZJMMAQ-MNOVXSKESA-N	-1	0	286.328	0.463	20	30		CCEDRM
C=CCCO[N-]C(=O)[C@@H](C)Sc1nncn1C	ZINC000856030542	613576622	/nfs/dbraw/zinc/57/66/22/613576622.db2.gz	IEKWZIOCAXXVRC-MRVPVSSYSA-N	-1	0	256.331	0.920	20	30		CCEDRM
C=CCCO[N-]C(=O)[C@H](C)Sc1nncn1C	ZINC000856030543	613577034	/nfs/dbraw/zinc/57/70/34/613577034.db2.gz	IEKWZIOCAXXVRC-QMMMGPOBSA-N	-1	0	256.331	0.920	20	30		CCEDRM
C=CCCS(=O)(=O)N1CCN(C(=O)[O-])CC1(C)C	ZINC000823500816	613580617	/nfs/dbraw/zinc/58/06/17/613580617.db2.gz	LVXYVVXKPRGGMB-UHFFFAOYSA-N	-1	0	276.358	0.967	20	30		CCEDRM
C=CCCS(=O)(=O)N1CCC([C@H](O)C(=O)[O-])CC1	ZINC000833375024	613580849	/nfs/dbraw/zinc/58/08/49/613580849.db2.gz	SDENQVRXLRFUJJ-JTQLQIEISA-N	-1	0	277.342	0.050	20	30		CCEDRM
C=CCC[C@@H](NC(=O)Cc1cncn1C)C(=O)[O-]	ZINC000909714439	613584959	/nfs/dbraw/zinc/58/49/59/613584959.db2.gz	WUEYHMLZTZPURS-SNVBAGLBSA-N	-1	0	251.286	0.498	20	30		CCEDRM
C=CCC[C@@H](NC(=O)c1c(C)nn(C)c1OC)C(=O)[O-]	ZINC000909711495	613584980	/nfs/dbraw/zinc/58/49/80/613584980.db2.gz	CAKNXAJVVCESED-SECBINFHSA-N	-1	0	281.312	0.886	20	30		CCEDRM
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C=CCN(CC(=O)[O-])C(=O)Nc1ccnn1[C@H]1CCOC1	ZINC000900351993	613643227	/nfs/dbraw/zinc/64/32/27/613643227.db2.gz	VPXVZYXHDDUVOH-JTQLQIEISA-N	-1	0	294.311	0.949	20	30		CCEDRM
C=CCN(CC(=O)[O-])C(=O)[C@@H]1CCc2nccn2C1	ZINC000909514392	613643258	/nfs/dbraw/zinc/64/32/58/613643258.db2.gz	GIZKNWCMPHBNLW-SNVBAGLBSA-N	-1	0	263.297	0.545	20	30		CCEDRM
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CC#CCS(=O)(=O)[N-]C(=O)CCc1ccccn1	ZINC000810774268	613645828	/nfs/dbraw/zinc/64/58/28/613645828.db2.gz	VYUFZQJIBRKNNR-UHFFFAOYSA-N	-1	0	266.322	0.484	20	30		CCEDRM
CC#CCS(=O)(=O)[N-]C(=O)CCc1cscn1	ZINC000798202685	613645947	/nfs/dbraw/zinc/64/59/47/613645947.db2.gz	KAXVTLIRDHUVIX-UHFFFAOYSA-N	-1	0	272.351	0.545	20	30		CCEDRM
CC#CCS(=O)(=O)[N-]C(=O)CNC(=O)CCC(C)C	ZINC000810778854	613645951	/nfs/dbraw/zinc/64/59/51/613645951.db2.gz	PKBVYJLTXRMPKK-UHFFFAOYSA-N	-1	0	288.369	0.008	20	30		CCEDRM
CC#CCS(=O)(=O)[N-]C(=O)C[C@@H]1CC[C@@H]2C[C@@H]21	ZINC000835372396	613646239	/nfs/dbraw/zinc/64/62/39/613646239.db2.gz	SVLGOXCRPAWMLX-VWYCJHECSA-N	-1	0	255.339	0.892	20	30		CCEDRM
C=CCN(CC=C)C(=O)C(=O)Nc1cc(C(=O)[O-])n(C)c1	ZINC000833374955	613646341	/nfs/dbraw/zinc/64/63/41/613646341.db2.gz	BCACUQBIPJZCMU-UHFFFAOYSA-N	-1	0	291.307	0.862	20	30		CCEDRM
CC#CCS(=O)(=O)[N-]C(=O)[C@@H]1CC12CC(OCC)C2	ZINC000870329595	613646532	/nfs/dbraw/zinc/64/65/32/613646532.db2.gz	IKQNEEPNZKCCRM-AKJDGMEZSA-N	-1	0	285.365	0.661	20	30		CCEDRM
CC#CCS(=O)(=O)[N-]C(=O)[C@@H]1CCCC[C@@H]1OC	ZINC000816056534	613646538	/nfs/dbraw/zinc/64/65/38/613646538.db2.gz	WOTWAYOJRIBBIU-MNOVXSKESA-N	-1	0	273.354	0.661	20	30		CCEDRM
CC#CCS(=O)(=O)[N-]C(=O)[C@@H]1CCCSC1	ZINC000810776569	613646567	/nfs/dbraw/zinc/64/65/67/613646567.db2.gz	YTKOEYQNAZMWIB-SECBINFHSA-N	-1	0	261.368	0.599	20	30		CCEDRM
CC#CCS(=O)(=O)[N-]C(=O)c1cc(C(C)(C)C)n[nH]1	ZINC000810771294	613647518	/nfs/dbraw/zinc/64/75/18/613647518.db2.gz	IPBTUFMKHYLNGU-UHFFFAOYSA-N	-1	0	283.353	0.790	20	30		CCEDRM
CC#CCS(=O)(=O)[N-]C(=O)c1cc([N+](=O)[O-])ccc1C	ZINC000810777449	613647586	/nfs/dbraw/zinc/64/75/86/613647586.db2.gz	CKVWROVTPWYWCP-UHFFFAOYSA-N	-1	0	296.304	0.986	20	30		CCEDRM
CC#CCS(=O)(=O)[N-]C(=O)c1ccc(C)c(C#N)c1	ZINC000810773337	613647590	/nfs/dbraw/zinc/64/75/90/613647590.db2.gz	ABAYWXMWJISHHZ-UHFFFAOYSA-N	-1	0	276.317	0.950	20	30		CCEDRM
CC#CCS(=O)(=O)[N-]C(=O)c1ccc2cc[nH]c2n1	ZINC000810773247	613647805	/nfs/dbraw/zinc/64/78/05/613647805.db2.gz	WRRCPZMXKJGZDA-UHFFFAOYSA-N	-1	0	277.305	0.646	20	30		CCEDRM
CC#CCS(=O)(=O)[N-]C(=O)c1cnn2c1C[C@@H](C)CC2	ZINC000842781105	613648034	/nfs/dbraw/zinc/64/80/34/613648034.db2.gz	ZBUJFPRTOWPQNP-JTQLQIEISA-N	-1	0	295.364	0.548	20	30		CCEDRM
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CC(=NNc1ccnc(F)c1)c1cn(CC(=O)[O-])nn1	ZINC000833387011	613657178	/nfs/dbraw/zinc/65/71/78/613657178.db2.gz	JTEAKMSSZUDXMR-UHFFFAOYSA-N	-1	0	278.247	0.733	20	30		CCEDRM
CC(=O)NC1CCC(NC(=O)[C@@](C)(C#N)CC(=O)[O-])CC1	ZINC000819737580	613699154	/nfs/dbraw/zinc/69/91/54/613699154.db2.gz	XIGBMPCOBAIBQO-QIMFLAQGSA-N	-1	0	295.339	0.554	20	30		CCEDRM
C=CCNS(=O)(=O)c1cccc(F)c1C(=O)[O-]	ZINC000833376219	613860290	/nfs/dbraw/zinc/86/02/90/613860290.db2.gz	YBPOQXJIGBIZFU-UHFFFAOYSA-N	-1	0	259.258	0.988	20	30		CCEDRM
C=CCOCC(=O)N1C[C@@H](C(=O)[O-])[C@H](C2CC2)C1	ZINC000909904266	613879139	/nfs/dbraw/zinc/87/91/39/613879139.db2.gz	QGAMTSZHBJGCJA-WDEREUQCSA-N	-1	0	253.298	0.758	20	30		CCEDRM
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C=CCOC[C@@H](NC(=O)CCC(C)(C)O)C(=O)[O-]	ZINC000909769704	613881606	/nfs/dbraw/zinc/88/16/06/613881606.db2.gz	BEDWRJCXPUFVQN-SECBINFHSA-N	-1	0	259.302	0.310	20	30		CCEDRM
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C=CCOC[C@@H](NC(=O)c1cccc(OC)n1)C(=O)[O-]	ZINC000836751796	613881875	/nfs/dbraw/zinc/88/18/75/613881875.db2.gz	UWRAOWMJPXOXMV-SNVBAGLBSA-N	-1	0	280.280	0.476	20	30		CCEDRM
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C=CCOC[C@H](NC(=O)[C@@H]1CCO[C@@H](CC)C1)C(=O)[O-]	ZINC000909767837	613882415	/nfs/dbraw/zinc/88/24/15/613882415.db2.gz	QVYSXKFWLGVCNT-WOPDTQHZSA-N	-1	0	285.340	0.964	20	30		CCEDRM
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C=CCS(=O)(=O)[N-]C(=O)C[C@@H](C)[C@H]1CCCO1	ZINC000850912510	613886089	/nfs/dbraw/zinc/88/60/89/613886089.db2.gz	CNQHLNJKSOFMHY-NXEZZACHSA-N	-1	0	261.343	0.824	20	30		CCEDRM
C=CCS(=O)(=O)[N-]C(=O)C[C@@H]1CC(C)(C)CO1	ZINC000892881984	613886095	/nfs/dbraw/zinc/88/60/95/613886095.db2.gz	CIHQERIUGRYXPP-SECBINFHSA-N	-1	0	261.343	0.824	20	30		CCEDRM
C=CCS(=O)(=O)[N-]C(=O)COCC1CCCC1	ZINC000835253192	613886101	/nfs/dbraw/zinc/88/61/01/613886101.db2.gz	IQOVBVLPMGXCJS-UHFFFAOYSA-N	-1	0	261.343	0.825	20	30		CCEDRM
C=CCS(=O)(=O)[N-]C(=O)C1(C(=O)OCC)CCCC1	ZINC000842747120	613886156	/nfs/dbraw/zinc/88/61/56/613886156.db2.gz	IDJXNNYGYHPYBM-UHFFFAOYSA-N	-1	0	289.353	0.742	20	30		CCEDRM
C=CCS(=O)(=O)[N-]C(=O)[C@@H](CC(C)C)NC(C)=O	ZINC000860631017	613886180	/nfs/dbraw/zinc/88/61/80/613886180.db2.gz	MBNSZIVFZVIQOZ-SNVBAGLBSA-N	-1	0	276.358	0.169	20	30		CCEDRM
CC(C)(C)OC(=O)CN1CCN(C(=O)[O-])C[C@@H]1C#N	ZINC000823785724	613965845	/nfs/dbraw/zinc/96/58/45/613965845.db2.gz	PZQTUZUYJVVICP-VIFPVBQESA-N	-1	0	269.301	0.516	20	30		CCEDRM
CC(C)OC[C@H](C(=O)[O-])N(C)C(=O)c1ccc(C#N)[nH]1	ZINC000833506020	614032609	/nfs/dbraw/zinc/03/26/09/614032609.db2.gz	QGWQKNGTOYQDQL-LLVKDONJSA-N	-1	0	279.296	0.837	20	30		CCEDRM
CC(C)(CC(=O)NC[C@@H]1CCCN(CC#N)C1)NC(=O)[O-]	ZINC000823881816	614077826	/nfs/dbraw/zinc/07/78/26/614077826.db2.gz	KXABPSNLTAAGAV-NSHDSACASA-N	-1	0	296.371	0.774	20	30		CCEDRM
CC(C)[C@H](CNC(=O)c1cc(C#N)cn1C)NC(=O)[O-]	ZINC000824123032	614209910	/nfs/dbraw/zinc/20/99/10/614209910.db2.gz	MQMSWYNAAORUFZ-JTQLQIEISA-N	-1	0	278.312	0.919	20	30		CCEDRM
CC(C)C[C@H](O)CNC(=O)[C@](C)(C#N)CC(=O)[O-]	ZINC000819976752	614222896	/nfs/dbraw/zinc/22/28/96/614222896.db2.gz	AISYCQDLSRUVMD-CABZTGNLSA-N	-1	0	256.302	0.514	20	30		CCEDRM
CC(C)Cc1noc(CN(CC#N)CC(=O)[O-])n1	ZINC000826912791	614234067	/nfs/dbraw/zinc/23/40/67/614234067.db2.gz	HASYDFNMNCHDCG-UHFFFAOYSA-N	-1	0	252.274	0.678	20	30		CCEDRM
CC(=O)c1cccc(NC(=O)CN(CC#N)CC(=O)[O-])c1	ZINC000825960851	614256872	/nfs/dbraw/zinc/25/68/72/614256872.db2.gz	QQXBYWLNOHXTCA-UHFFFAOYSA-N	-1	0	289.291	0.738	20	30		CCEDRM
CC(C)(C#N)CNC(=O)N1CCC([C@@H](O)C(=O)[O-])CC1	ZINC000833412527	614285675	/nfs/dbraw/zinc/28/56/75/614285675.db2.gz	AQYJRIGAFPVZNH-SNVBAGLBSA-N	-1	0	283.328	0.403	20	30		CCEDRM
CC(C)(C#N)CS(=O)(=O)[N-]C(=O)CCCC#N	ZINC000813082327	614286668	/nfs/dbraw/zinc/28/66/68/614286668.db2.gz	UXVSCNDJBOTOJL-UHFFFAOYSA-N	-1	0	257.315	0.676	20	30		CCEDRM
CC1CCC(OCC(=O)[N-]S(=O)(=O)CCC#N)CC1	ZINC000835408158	614424694	/nfs/dbraw/zinc/42/46/94/614424694.db2.gz	CEANAHJNEBUOBP-UHFFFAOYSA-N	-1	0	288.369	0.941	20	30		CCEDRM
CCCNC(=O)CCNC(=O)[C@@](C)(C#N)CC(=O)[O-]	ZINC000820321129	614847348	/nfs/dbraw/zinc/84/73/48/614847348.db2.gz	MKOQEGZRRDDZDX-GFCCVEGCSA-N	-1	0	269.301	0.023	20	30		CCEDRM
CCN(C)S(=O)(=O)[N-]C(=O)c1ncc(C#N)cc1C	ZINC000815962948	614884886	/nfs/dbraw/zinc/88/48/86/614884886.db2.gz	HQXIXCSDZZKDIA-UHFFFAOYSA-N	-1	0	282.325	0.188	20	30		CCEDRM
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CCN(CC(=O)NCC1CCN(CC#N)CC1)C(=O)[O-]	ZINC000827002006	614939037	/nfs/dbraw/zinc/93/90/37/614939037.db2.gz	GVBBCPBVFVRIOS-UHFFFAOYSA-N	-1	0	282.344	0.338	20	30		CCEDRM
CCCO[N-]C(=O)C(=O)Nc1cc(C)c(C#N)cn1	ZINC000847534106	614942331	/nfs/dbraw/zinc/94/23/31/614942331.db2.gz	KFOPPRZOKZEEPG-UHFFFAOYSA-N	-1	0	262.269	0.658	20	30		CCEDRM
CCN(CC)C(=O)CCCC(=O)N[C@H]1CCCN(O)C1=O	ZINC000816755927	614962517	/nfs/dbraw/zinc/96/25/17/614962517.db2.gz	LXCGRPJNYWZRLY-NSHDSACASA-N	-1	0	299.371	0.522	20	30		CCEDRM
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CCN(CCC#N)C(=O)CN1CCC[C@@H]1CNC(=O)[O-]	ZINC000827112259	615021631	/nfs/dbraw/zinc/02/16/31/615021631.db2.gz	ZIQRFFSEPBVSSS-LLVKDONJSA-N	-1	0	282.344	0.481	20	30		CCEDRM
CCN(C[C@@H](C)C#N)C(=O)CC1CN(C(=O)[O-])C1	ZINC000827020070	615061578	/nfs/dbraw/zinc/06/15/78/615061578.db2.gz	LMGLAICZWKAUIP-VIFPVBQESA-N	-1	0	253.302	0.994	20	30		CCEDRM
CCNC(=S)N1CCc2[n-]c(=O)c(C#N)cc2C1	ZINC000865251090	615068846	/nfs/dbraw/zinc/06/88/46/615068846.db2.gz	OMBSBJMMUCWUQB-UHFFFAOYSA-N	-1	0	262.338	0.911	20	30		CCEDRM
CCOC1CC(C(=O)[N-]S(=O)(=O)CC2(C#N)CC2)C1	ZINC000805916363	615211442	/nfs/dbraw/zinc/21/14/42/615211442.db2.gz	VCJSVJTVVXXRCR-UHFFFAOYSA-N	-1	0	286.353	0.551	20	30		CCEDRM
CCOCCS(=O)(=O)[N-]C(=O)CCCCCC#N	ZINC000805879119	615296619	/nfs/dbraw/zinc/29/66/19/615296619.db2.gz	CERSDFGJNOUUJQ-UHFFFAOYSA-N	-1	0	276.358	0.943	20	30		CCEDRM
CCOC[C@@H](C(=O)[O-])N(C)C(=O)CSCC#N	ZINC000829954282	615303716	/nfs/dbraw/zinc/30/37/16/615303716.db2.gz	FRQAPQYPXJJBAL-QMMMGPOBSA-N	-1	0	260.315	0.191	20	30		CCEDRM
CCO[C@H](C)C(=O)N1CCN(C(=O)[O-])C[C@H]1C#N	ZINC000827362031	615476779	/nfs/dbraw/zinc/47/67/79/615476779.db2.gz	MDNXOVGIODLRLC-RKDXNWHRSA-N	-1	0	255.274	0.126	20	30		CCEDRM
CC[C@@H](CNS(=O)(=O)N(CC)C[C@@H](C)C#N)C(=O)[O-]	ZINC000844785665	615484735	/nfs/dbraw/zinc/48/47/35/615484735.db2.gz	NNJNVTVFGMEWFR-UWVGGRQHSA-N	-1	0	291.373	0.413	20	30		CCEDRM
CC[C@@H](NN=Cc1c2c(nn1C)CCC2)C(=O)[O-]	ZINC000901246836	615536384	/nfs/dbraw/zinc/53/63/84/615536384.db2.gz	RPJCQPQAAGQSQT-SECBINFHSA-N	-1	0	250.302	0.696	20	30		CCEDRM
CC[C@@H](O)CNN=Cc1ccc(OC)cc1OCC(=O)[O-]	ZINC000811655087	615542246	/nfs/dbraw/zinc/54/22/46/615542246.db2.gz	DWXCKJIHRHZIKC-LLVKDONJSA-N	-1	0	296.323	0.853	20	30		CCEDRM
CC[C@H](C#N)NS(=O)(=O)c1ccc(C(=O)[O-])o1	ZINC000833636664	615599967	/nfs/dbraw/zinc/59/99/67/615599967.db2.gz	ZAAGHEHYDAFTLG-ZCFIWIBFSA-N	-1	0	258.255	0.558	20	30		CCEDRM
CCn1nc(C)c(C([O-])=C(C#N)C(=O)NCCCOC)n1	ZINC000815904800	615650665	/nfs/dbraw/zinc/65/06/65/615650665.db2.gz	PZSAYIQDOMMEHK-SNVBAGLBSA-N	-1	0	293.327	0.082	20	30		CCEDRM
CC[C@H](C)[C@H](CN=Nc1nc2[nH][nH]cc-2c(=O)n1)OC	ZINC000834956151	615690612	/nfs/dbraw/zinc/69/06/12/615690612.db2.gz	KGKYGGSJZGHDKO-CBAPKCEASA-N	-1	0	278.316	0.891	20	30		CCEDRM
CC[C@H](NC(=O)[O-])C(=O)OCC(=O)N[C@@](C)(C#N)C(C)C	ZINC000827538763	615805664	/nfs/dbraw/zinc/80/56/64/615805664.db2.gz	JHARCSYEGOFAPK-ZANVPECISA-N	-1	0	299.327	0.630	20	30		CCEDRM
CC[C@](C)(C#N)C(=O)N1CC[C@](OC)(C(=O)[O-])C1	ZINC000923098704	615941995	/nfs/dbraw/zinc/94/19/95/615941995.db2.gz	NZCUPDVFLOCJGH-VXGBXAGGSA-N	-1	0	254.286	0.628	20	30		CCEDRM
CC[S@](=O)c1ccccc1C(=O)N[C@H]1CCN(O)C1=O	ZINC000820157121	616017756	/nfs/dbraw/zinc/01/77/56/616017756.db2.gz	SHJKQVFUUSFOEP-FVINQWEUSA-N	-1	0	296.348	0.534	20	30		CCEDRM
CN(C)c1nc(COC(=O)[C@](C)(C#N)CC(=O)[O-])ns1	ZINC000820554279	616034144	/nfs/dbraw/zinc/03/41/44/616034144.db2.gz	KZVBGWGSTTUDNU-NSHDSACASA-N	-1	0	298.324	0.652	20	30		CCEDRM
CN(Cc1nc[nH]n1)[C@@H](C(=O)[O-])c1cccc(C#N)c1	ZINC000830883530	616104428	/nfs/dbraw/zinc/10/44/28/616104428.db2.gz	PZKIQDWTVBKBOQ-GFCCVEGCSA-N	-1	0	271.280	0.934	20	30		CCEDRM
CN(C[C@@H](O)C1CC1)C(=O)[C@](C)(C#N)CC(=O)[O-]	ZINC000820574267	616131156	/nfs/dbraw/zinc/13/11/56/616131156.db2.gz	KRIDIRQYTBQNOG-SKDRFNHKSA-N	-1	0	254.286	0.220	20	30		CCEDRM
CN1C(=O)CN(NC(=O)c2cc(C#N)ccc2Cl)C1=O	ZINC000802975838	616137205	/nfs/dbraw/zinc/13/72/05/616137205.db2.gz	QSUCYTWZLJRGEO-UHFFFAOYSA-N	-1	0	292.682	0.750	20	30		CCEDRM
COC(=O)[C@@H]1CC[C@H](C(=O)Nc2cc(C#N)ccc2[O-])O1	ZINC000860445183	616358836	/nfs/dbraw/zinc/35/88/36/616358836.db2.gz	OOBCCIMCHPDTCN-NEPJUHHUSA-N	-1	0	290.275	0.923	20	30		CCEDRM
CN1CC[C@H](C(=O)[N-]Oc2cccc(C#N)c2)S1(=O)=O	ZINC000870690516	616374470	/nfs/dbraw/zinc/37/44/70/616374470.db2.gz	QFXGKDCSKLSQPU-LLVKDONJSA-N	-1	0	295.320	0.002	20	30		CCEDRM
COC/C(C)=C\C(=O)[N-]S(=O)(=O)CC1(C#N)CCC1	ZINC000845520955	616383164	/nfs/dbraw/zinc/38/31/64/616383164.db2.gz	UQXXWZRDIBVHSD-POHAHGRESA-N	-1	0	286.353	0.719	20	30		CCEDRM
COCC(C)=CC(=O)C(C#N)=C([O-])c1nccn1C	ZINC000845491829	616386627	/nfs/dbraw/zinc/38/66/27/616386627.db2.gz	RDHZJSHSKSFROZ-ABRRARGCSA-N	-1	0	261.281	0.904	20	30		CCEDRM
COCCNC(=O)C(C#N)=C([O-])c1ccc(OC)o1	ZINC000847623399	616496627	/nfs/dbraw/zinc/49/66/27/616496627.db2.gz	JXTJNEHVDMHXTD-MRVPVSSYSA-N	-1	0	266.253	0.373	20	30		CCEDRM
COC(=O)CCCS(=O)(=O)[N-]C(=O)CC1(C#N)CC1	ZINC000815949145	616541496	/nfs/dbraw/zinc/54/14/96/616541496.db2.gz	DVCGUQLEJKSEKZ-UHFFFAOYSA-N	-1	0	288.325	0.079	20	30		CCEDRM
COC[C@H](C)[C@H](C)C(=O)[N-]S(=O)(=O)CC1(C#N)CC1	ZINC000813084433	616637227	/nfs/dbraw/zinc/63/72/27/616637227.db2.gz	QJUKSGZGZZKNOM-UWVGGRQHSA-N	-1	0	288.369	0.655	20	30		CCEDRM
COC(=O)[C@H](c1cccc(-c2nn[nH]n2)c1)N(C)CC#N	ZINC000821649895	616644605	/nfs/dbraw/zinc/64/46/05/616644605.db2.gz	FXLZXQPRYGUYRT-NSHDSACASA-N	-1	0	286.295	0.536	20	30		CCEDRM
CO[C@@H]1CC[C@H](C(=O)[N-]S(=O)(=O)CCC#N)C1	ZINC000851016364	616699147	/nfs/dbraw/zinc/69/91/47/616699147.db2.gz	RTOICYIYSSHUIK-DTWKUNHWSA-N	-1	0	260.315	0.161	20	30		CCEDRM
CNC(=O)C(C#N)=C([O-])c1ccc(C)c(S(C)(=O)=O)c1	ZINC000917002791	616777036	/nfs/dbraw/zinc/77/70/36/616777036.db2.gz	SWGCZFQKLPYLPN-JTQLQIEISA-N	-1	0	294.332	0.467	20	30		CCEDRM
COC[C@](C)(C#N)NC(=O)CC(C)(C)NC(=O)[O-]	ZINC000828885957	616816250	/nfs/dbraw/zinc/81/62/50/616816250.db2.gz	QSZXISIZGOKTCU-NSHDSACASA-N	-1	0	257.290	0.468	20	30		CCEDRM
COC(=O)c1cc(C([O-])=C(C#N)C(=O)NC2CC2)c(C)o1	ZINC000850758448	616834659	/nfs/dbraw/zinc/83/46/59/616834659.db2.gz	FYHSARXMIDNSPY-JTQLQIEISA-N	-1	0	290.275	0.976	20	30		CCEDRM
COC(=O)c1cc(C([O-])=C(C#N)C(=O)NC2CC2)c[nH]1	ZINC000815908804	616834769	/nfs/dbraw/zinc/83/47/69/616834769.db2.gz	JQANBIGBJUIJQV-VIFPVBQESA-N	-1	0	275.264	0.402	20	30		CCEDRM
COCCCNC(=O)C(C#N)=C([O-])c1cncc(C)c1	ZINC000131956981	616901802	/nfs/dbraw/zinc/90/18/02/616901802.db2.gz	XQPBLBMNVMPBJF-GFCCVEGCSA-N	-1	0	275.308	0.865	20	30		CCEDRM
COCc1cccc(CC(=O)N[C@@H]2CCN(O)C2=O)c1	ZINC000816695566	616903441	/nfs/dbraw/zinc/90/34/41/616903441.db2.gz	FWAOVKXWQSDNJB-GFCCVEGCSA-N	-1	0	278.308	0.482	20	30		CCEDRM
CNC(=S)NN=Cc1ccc(OCC(=O)[O-])cc1	ZINC000916264955	616931700	/nfs/dbraw/zinc/93/17/00/616931700.db2.gz	BDGYOKXCJWPVOE-UHFFFAOYSA-N	-1	0	267.310	0.578	20	30		CCEDRM
COCCN(CC(=O)N[C@H](C#N)C(C)(C)C)C(=O)[O-]	ZINC000828971343	616979305	/nfs/dbraw/zinc/97/93/05/616979305.db2.gz	WGHJGVNMLKJSQP-SECBINFHSA-N	-1	0	271.317	0.667	20	30		CCEDRM
CO[C@H](C(=O)[N-]S(=O)(=O)CCC#N)C1CCC1	ZINC000851016607	616981317	/nfs/dbraw/zinc/98/13/17/616981317.db2.gz	YUIQHKAJIMKDJN-VIFPVBQESA-N	-1	0	260.315	0.161	20	30		CCEDRM
COCc1nsc(NC(=O)[C@@](C)(C#N)CC(=O)[O-])n1	ZINC000820749000	616986529	/nfs/dbraw/zinc/98/65/29/616986529.db2.gz	CRAAHRJQELIYJD-SNVBAGLBSA-N	-1	0	284.297	0.628	20	30		CCEDRM
COCCN(CCNC(=O)NC[C@H](C)C#N)C(=O)[O-]	ZINC000833886682	617015525	/nfs/dbraw/zinc/01/55/25/617015525.db2.gz	VVFMUZJKGIXTOY-SECBINFHSA-N	-1	0	272.305	0.072	20	30		CCEDRM
CO[C@H](C)CS(=O)(=O)[N-]C(=O)c1ccc(C)c(C#N)c1	ZINC000799628786	617076133	/nfs/dbraw/zinc/07/61/33/617076133.db2.gz	KQOIVAKLGMAOMA-SNVBAGLBSA-N	-1	0	296.348	0.961	20	30		CCEDRM
CO[C@H]1CC[C@H](C(=O)[N-]S(=O)(=O)CC2(C#N)CC2)C1	ZINC000850940309	617104422	/nfs/dbraw/zinc/10/44/22/617104422.db2.gz	LFACZHWEMWYAAQ-UWVGGRQHSA-N	-1	0	286.353	0.551	20	30		CCEDRM
CON=Cc1ccc(C(=O)NCC(=O)[N-]OC)cc1	ZINC000832776069	617106504	/nfs/dbraw/zinc/10/65/04/617106504.db2.gz	DTWGXWWHFDKUFA-UHFFFAOYSA-N	-1	0	265.269	0.074	20	30		CCEDRM
CNC(=O)C(C#N)=C([O-])c1cccc(C(=O)OC)c1	ZINC000103508199	625364966	/nfs/dbraw/zinc/36/49/66/625364966.db2.gz	NWPPIGJADOBYOX-SNVBAGLBSA-N	-1	0	260.249	0.542	20	30		CCEDRM
O=C(Nc1cnc(F)c(F)c1)N[C@H]1CCCN(O)C1=O	ZINC000934391737	622697403	/nfs/dbraw/zinc/69/74/03/622697403.db2.gz	QYYIQFPSLPQWIX-QMMMGPOBSA-N	-1	0	286.238	0.862	20	30		CCEDRM
Cc1c(C(=O)[N-]S(=O)(=O)CCCC#N)ccn1C	ZINC000194993638	625605774	/nfs/dbraw/zinc/60/57/74/625605774.db2.gz	QVINEDKRBPATCA-UHFFFAOYSA-N	-1	0	269.326	0.697	20	30		CCEDRM
CS(=O)(=O)[N-]C(=O)CCNC(=O)c1ccccc1	ZINC000042279203	624734660	/nfs/dbraw/zinc/73/46/60/624734660.db2.gz	RFHQLGYGXZGBLG-UHFFFAOYSA-N	-1	0	270.310	0.723	20	30		CCEDRM
CCC(CC)S(=O)(=O)[N-]C(=O)[C@H](C)NC(C)=O	ZINC000073837779	624812143	/nfs/dbraw/zinc/81/21/43/624812143.db2.gz	MBPBZISCLCQAPL-ZETCQYMHSA-N	-1	0	264.347	0.986	20	30		CCEDRM
C=CCN(CC(=O)[O-])C(=O)C1CCN(C(=O)N(C)C)CC1	ZINC000092462209	624851544	/nfs/dbraw/zinc/85/15/44/624851544.db2.gz	CJOJTYJHMLJJCG-UHFFFAOYSA-N	-1	0	297.355	0.479	20	30		CCEDRM
C=CCN(CC(=O)[O-])C(=O)NCCc1cn(C)cn1	ZINC000313252423	625762457	/nfs/dbraw/zinc/76/24/57/625762457.db2.gz	UEOYCZHHPLZJAV-UHFFFAOYSA-N	-1	0	266.301	0.245	20	30		CCEDRM
N#Cc1cnccc1[N-]S(=O)(=O)CC1(F)CC1	ZINC000903637752	634626525	/nfs/dbraw/zinc/62/65/25/634626525.db2.gz	QHFUXBYYFDEOQM-UHFFFAOYSA-N	-1	0	255.274	0.619	20	30		CCEDRM
C[C@@H](OCC1CC1)C(=O)[N-]S(=O)(=O)c1cnn(C)c1	ZINC000049135294	631903893	/nfs/dbraw/zinc/90/38/93/631903893.db2.gz	XFXQQGRIKALZIR-MRVPVSSYSA-N	-1	0	287.341	0.880	20	30		CCEDRM
N#CC1(CS(=O)(=O)[N-]C(=O)Cc2ccoc2)CC1	ZINC000793206314	631911529	/nfs/dbraw/zinc/91/15/29/631911529.db2.gz	YYXJEBOOCCXUJZ-UHFFFAOYSA-N	-1	0	268.294	0.572	20	30		CCEDRM
C#C[C@H](C)NC(=O)c1cc(C)c2c(=O)[n-]c(=O)nc-2[nH]1	ZINC000185341283	631955603	/nfs/dbraw/zinc/95/56/03/631955603.db2.gz	WWQCLWUHHMKMDG-ZETCQYMHSA-N	-1	0	272.264	0.084	20	30		CCEDRM
O=C([O-])C#C[C@@H]1CCCN(S(=O)(=O)c2ccco2)C1	ZINC000899925270	633923710	/nfs/dbraw/zinc/92/37/10/633923710.db2.gz	BNSWKUCOEHGWFQ-JTQLQIEISA-N	-1	0	283.305	0.768	20	30		CCEDRM
C[C@@H]1CC(NN=Cc2cc(C(=O)[O-])nn2C)C[C@@H](C)O1	ZINC000901300006	634221563	/nfs/dbraw/zinc/22/15/63/634221563.db2.gz	QCIDVAJJTUHUGX-RKDXNWHRSA-N	-1	0	280.328	0.998	20	30		CCEDRM
N#Cc1ccc(CC(=O)N(CC(=O)[O-])CC2CC2)cn1	ZINC000902006841	634298688	/nfs/dbraw/zinc/29/86/88/634298688.db2.gz	HRTVBBSRLNJIOB-UHFFFAOYSA-N	-1	0	273.292	0.819	20	30		CCEDRM
C[C@@H]1SC[C@H](C(=O)[O-])N1S(=O)(=O)CC(C)(C)C#N	ZINC000905985154	634943686	/nfs/dbraw/zinc/94/36/86/634943686.db2.gz	DVLGMOZGXKWGMR-JGVFFNPUSA-N	-1	0	292.382	0.714	20	30		CCEDRM
N#CCCCC(=O)N1CCSC[C@H]1c1nnn[n-]1	ZINC000907480374	635139782	/nfs/dbraw/zinc/13/97/82/635139782.db2.gz	ORDJARNPMUCDCH-QMMMGPOBSA-N	-1	0	266.330	0.510	20	30		CCEDRM
Cc1[nH]nc(Cl)c1C(=O)N[C@H]1CCCN(O)C1=O	ZINC000908402497	635366801	/nfs/dbraw/zinc/36/68/01/635366801.db2.gz	HQOQRYYCWWLSMX-LURJTMIESA-N	-1	0	272.692	0.482	20	30		CCEDRM
C#CCSCCNC(=O)N[C@@](C)(CC)C(=O)[O-]	ZINC000231960336	637235991	/nfs/dbraw/zinc/23/59/91/637235991.db2.gz	WLWZTTXUZWOECY-NSHDSACASA-N	-1	0	258.343	0.905	20	30		CCEDRM
C#CC[C@@H](NC(=O)COCC(F)(F)F)C(=O)[O-]	ZINC000232325333	637253926	/nfs/dbraw/zinc/25/39/26/637253926.db2.gz	PBHPGJBUJSOMCO-ZCFIWIBFSA-N	-1	0	253.176	0.158	20	30		CCEDRM
C=CCN(CC(=O)[O-])C(=O)NCCn1ccnc1C	ZINC000311564773	637323916	/nfs/dbraw/zinc/32/39/16/637323916.db2.gz	AOTQVICBANBKER-UHFFFAOYSA-N	-1	0	266.301	0.474	20	30		CCEDRM
COCCNC(=O)C(C#N)=C([O-])c1ccc(C)n1C	ZINC000193422893	637736215	/nfs/dbraw/zinc/73/62/15/637736215.db2.gz	RWCJSTYZSIJHGW-SNVBAGLBSA-N	-1	0	263.297	0.419	20	30		CCEDRM
N#CC(C(=O)N1CCCC1)=C([O-])c1cccc(C(N)=O)c1	ZINC000916871633	637930363	/nfs/dbraw/zinc/93/03/63/637930363.db2.gz	QCKRKWIRROJSTB-GFCCVEGCSA-N	-1	0	285.303	0.730	20	30		CCEDRM
COCCCC(=O)[N-]S(=O)(=O)Cc1cccc(C#N)c1	ZINC000195497232	638160787	/nfs/dbraw/zinc/16/07/87/638160787.db2.gz	RNSHRSBPMZDFJI-UHFFFAOYSA-N	-1	0	296.348	0.931	20	30		CCEDRM
C#CCOCCC(=O)[N-]S(=O)(=O)c1cn(CC)c(C)n1	ZINC000180207052	638261712	/nfs/dbraw/zinc/26/17/12/638261712.db2.gz	MTWMZMCSDFUXSD-UHFFFAOYSA-N	-1	0	299.352	0.056	20	30		CCEDRM
COc1n[nH]c(NC(=O)c2ccccc2OCC#N)n1	ZINC000182988249	638521335	/nfs/dbraw/zinc/52/13/35/638521335.db2.gz	QOTJJWJOTVKZOJ-UHFFFAOYSA-N	-1	0	273.252	0.968	20	30		CCEDRM
N#CC1(C(=O)N2CCO[C@H](CC(=O)[O-])C2)CC2(CC2)C1	ZINC000923066362	640013701	/nfs/dbraw/zinc/01/37/01/640013701.db2.gz	ZQPAZFPCVKZYBF-SNVBAGLBSA-N	-1	0	278.308	0.772	20	30		CCEDRM
N#C[C@]1(C(=O)N[C@@H](CC(F)(F)F)C(=O)[O-])CCCOC1	ZINC000923077601	640015599	/nfs/dbraw/zinc/01/55/99/640015599.db2.gz	UJRHOFYZISBDLW-OIBJUYFYSA-N	-1	0	294.229	0.829	20	30		CCEDRM
N#C[C@]1(C(=O)N[C@@H](CC2CC2)C(=O)[O-])CCCOC1	ZINC000923101495	640021959	/nfs/dbraw/zinc/02/19/59/640021959.db2.gz	GABWLURMXFSUIO-GXFFZTMASA-N	-1	0	266.297	0.676	20	30		CCEDRM
CC1CC(C#N)(C(=O)N2CC([C@@H](F)C(=O)[O-])C2)C1	ZINC000923100428	640022178	/nfs/dbraw/zinc/02/21/78/640022178.db2.gz	DUEJLLWWCDRVJC-QAHKDPLZSA-N	-1	0	254.261	0.807	20	30		CCEDRM
N#Cc1nc(NC(=O)c2cccnc2F)[n-]c1C#N	ZINC000806433958	640411785	/nfs/dbraw/zinc/41/17/85/640411785.db2.gz	YBAKDFRYFOHWMZ-UHFFFAOYSA-N	-1	0	256.200	0.939	20	30		CCEDRM
CC#CCS(=O)(=O)[N-]C(=O)c1ccn(CC(F)F)n1	ZINC000810769734	640948586	/nfs/dbraw/zinc/94/85/86/640948586.db2.gz	DMOADHRCCPNVKC-UHFFFAOYSA-N	-1	0	291.279	0.231	20	30		CCEDRM
CC#CCS(=O)(=O)[N-]C(=O)c1cccc(NC(C)=O)c1	ZINC000810774580	640949473	/nfs/dbraw/zinc/94/94/73/640949473.db2.gz	KLSCOWBMXQGGPE-UHFFFAOYSA-N	-1	0	294.332	0.728	20	30		CCEDRM
C[C@@H](C(=O)[N-]OC/C=C\Cl)n1cnc(C#N)n1	ZINC000812408659	641003379	/nfs/dbraw/zinc/00/33/79/641003379.db2.gz	RQIWZNHTLKPRDY-XDVGHUOJSA-N	-1	0	255.665	0.511	20	30		CCEDRM
O=c1[n-][nH]c(=O)n1N=Cc1cnn(Cc2ccccc2)c1	ZINC000814231621	641061052	/nfs/dbraw/zinc/06/10/52/641061052.db2.gz	BCYNRTCRCFZSBI-UHFFFAOYSA-N	-1	0	284.279	0.816	20	30		CCEDRM
Cc1csc2nc(C)c(C=Nn3c(=O)[n-][nH]c3=O)n12	ZINC000814232397	641062252	/nfs/dbraw/zinc/06/22/52/641062252.db2.gz	VCBJSRUUONKJNG-UHFFFAOYSA-N	-1	0	278.297	0.898	20	30		CCEDRM
O=c1[n-][nH]c(=O)n1N=Cc1ccn(-c2ccccc2)n1	ZINC000814231784	641062431	/nfs/dbraw/zinc/06/24/31/641062431.db2.gz	NRKREMQYPSYACG-UHFFFAOYSA-N	-1	0	270.252	0.757	20	30		CCEDRM
Cc1cccc(C=Nn2c(=O)cn[nH]c2=S)c1O	ZINC000814915563	641081914	/nfs/dbraw/zinc/08/19/14/641081914.db2.gz	AHNVHDISDOPGPA-UHFFFAOYSA-N	-1	0	262.294	0.823	20	30		CCEDRM
C[C@@H]1C(=NNCC(N)=O)CC[C@@H](C(=O)[O-])C1(C)C	ZINC000814904087	641082310	/nfs/dbraw/zinc/08/23/10/641082310.db2.gz	QQUAIAHYVBQUEB-SFYZADRCSA-N	-1	0	255.318	0.574	20	30		CCEDRM
N#CC1(CC(=O)[N-]S(=O)(=O)CC2(C#N)CC2)CC1	ZINC000816014876	641135999	/nfs/dbraw/zinc/13/59/99/641135999.db2.gz	QFYQSJAHZVCKKJ-UHFFFAOYSA-N	-1	0	267.310	0.430	20	30		CCEDRM
N#CC1(CC(=O)[N-]S(=O)(=O)C[C@@H]2CCCOC2)CC1	ZINC000816082667	641139783	/nfs/dbraw/zinc/13/97/83/641139783.db2.gz	LYMLMILGCFKEAZ-SNVBAGLBSA-N	-1	0	286.353	0.553	20	30		CCEDRM
Cn1cc(-c2nn[nH]n2)cc1C(=O)N(CCC#N)CCC#N	ZINC000822622285	641689649	/nfs/dbraw/zinc/68/96/49/641689649.db2.gz	ARQAJSNHBCVUCE-UHFFFAOYSA-N	-1	0	298.310	0.475	20	30		CCEDRM
C#C[C@@H](NC(=O)c1cccc(-n2[n-]nnc2=N)c1)C(C)(C)C	ZINC000822959002	641719636	/nfs/dbraw/zinc/71/96/36/641719636.db2.gz	BPZSTYNCVWOLPH-GFCCVEGCSA-N	-1	0	298.350	0.853	20	30		CCEDRM
N#Cc1c(-c2nnn[n-]2)ncn1Cc1cccc(C(N)=O)c1	ZINC000826383376	641929749	/nfs/dbraw/zinc/92/97/49/641929749.db2.gz	XVZWMZMTSFVMFF-UHFFFAOYSA-N	-1	0	294.278	0.082	20	30		CCEDRM
N#CC[C@@]1(O)CCN(CC(=O)[N-]OCc2ccccc2)C1	ZINC000829991049	642215539	/nfs/dbraw/zinc/21/55/39/642215539.db2.gz	CBLZQJUBEPMBFS-OAHLLOKOSA-N	-1	0	289.335	0.585	20	30		CCEDRM
CC#CCC[N-]S(=O)(=O)c1occc1C(=O)OC	ZINC000867066249	642239771	/nfs/dbraw/zinc/23/97/71/642239771.db2.gz	JHEYJEIKFOYGBD-UHFFFAOYSA-N	-1	0	271.294	0.758	20	30		CCEDRM
N#CCCNC(=O)COC(=O)C1(CNC(=O)[O-])CCCC1	ZINC000831097746	642313862	/nfs/dbraw/zinc/31/38/62/642313862.db2.gz	SLOZMZQTLHGAII-UHFFFAOYSA-N	-1	0	297.311	0.387	20	30		CCEDRM
C#CCO[C@@H](C)C(=O)[N-]S(=O)(=O)c1cccc(C)c1	ZINC000835034116	642646366	/nfs/dbraw/zinc/64/63/66/642646366.db2.gz	XWRMVUDOSMULNG-NSHDSACASA-N	-1	0	281.333	0.838	20	30		CCEDRM
C#CCO[C@@H](C)C(=O)[N-]S(=O)(=O)Cc1ccccc1C	ZINC000835392320	642659975	/nfs/dbraw/zinc/65/99/75/642659975.db2.gz	XRJQJPOYHSYUDZ-LBPRGKRZSA-N	-1	0	295.360	0.979	20	30		CCEDRM
N#CCCS(=O)(=O)[N-]C(=O)[C@H]1Cc2ccc(F)cc21	ZINC000835408641	642661038	/nfs/dbraw/zinc/66/10/38/642661038.db2.gz	LURPGRVKXXVGPZ-NSHDSACASA-N	-1	0	282.296	0.825	20	30		CCEDRM
N#CCCCCC(=O)[N-]S(=O)(=O)N1CCCCC1	ZINC000847631869	643539126	/nfs/dbraw/zinc/53/91/26/643539126.db2.gz	KUIPFRBEUDPSFK-UHFFFAOYSA-N	-1	0	273.358	0.917	20	30		CCEDRM
Cc1ccnc(S(=O)(=O)[N-]C(=O)[C@H](C)CC#N)c1	ZINC000850842307	643817440	/nfs/dbraw/zinc/81/74/40/643817440.db2.gz	UDOUKZRVLYQXED-SECBINFHSA-N	-1	0	267.310	0.745	20	30		CCEDRM
Cc1nc(S(=O)(=O)[N-]C(=O)[C@H](C)CC#N)cn1C	ZINC000851083894	643831081	/nfs/dbraw/zinc/83/10/81/643831081.db2.gz	OPAJPMOQBVEPBG-SSDOTTSWSA-N	-1	0	270.314	0.083	20	30		CCEDRM
C[C@H](C#N)CN(C)S(=O)(=O)N[C@@H]1CC=C(C(=O)[O-])C1	ZINC000853069912	644072297	/nfs/dbraw/zinc/07/22/97/644072297.db2.gz	SUOTYPVGEJQIAT-PSASIEDQSA-N	-1	0	287.341	0.086	20	30		CCEDRM
C#C[C@@](C)(CC)NC(=O)c1c[nH]c2nc(=O)[n-]c(=O)c-2c1	ZINC000854701165	644251332	/nfs/dbraw/zinc/25/13/32/644251332.db2.gz	NFSHXDMYISWPSG-AWEZNQCLSA-N	-1	0	286.291	0.968	20	30		CCEDRM
C[C@H](CC#N)C(=O)[N-]S(=O)(=O)[C@H]1COC(C)(C)C1	ZINC000861141623	644857980	/nfs/dbraw/zinc/85/79/80/644857980.db2.gz	ZNQIMNVJWROFSQ-RKDXNWHRSA-N	-1	0	274.342	0.550	20	30		CCEDRM
O=C(N[C@@H]1CCCN(O)C1=O)c1ccnn1CC1CCC1	ZINC000868562504	645785954	/nfs/dbraw/zinc/78/59/54/645785954.db2.gz	GJBFQSPVEHBHRZ-LLVKDONJSA-N	-1	0	292.339	0.793	20	30		CCEDRM
Cn1ccnc1C([O-])=C(C#N)C(=O)COCC1CC1	ZINC000122863248	645941309	/nfs/dbraw/zinc/94/13/09/645941309.db2.gz	JMNLFDYAYHYTLH-JTQLQIEISA-N	-1	0	261.281	0.738	20	30		CCEDRM
Cn1nc2c(c1C=NN=c1cc[nH]n1C)CCCC2	ZINC000872367099	646251937	/nfs/dbraw/zinc/25/19/37/646251937.db2.gz	PIBOWEXCQDEEEK-UHFFFAOYSA-N	-1	0	258.329	0.900	20	30		CCEDRM
O=[N+]([O-])c1ccc([O-])c(/C=N\[C@@H]2CCS(=O)(=O)C2)c1	ZINC000035361720	648803020	/nfs/dbraw/zinc/80/30/20/648803020.db2.gz	DBGWHLJEVHVTNJ-DKBJHAQFSA-N	-1	0	284.293	0.906	20	30		CCEDRM
Cc1[nH]nc(C(=O)N(C)[C@H]2CCCN(CC#N)CC2)c1[O-]	ZINC000948301414	649371622	/nfs/dbraw/zinc/37/16/22/649371622.db2.gz	AEPWFFYFQCHTES-NSHDSACASA-N	-1	0	291.355	0.874	20	30		CCEDRM
CS(=O)(=O)[N-]C(=O)c1cccc(OCC(F)F)n1	ZINC000089963969	649665770	/nfs/dbraw/zinc/66/57/70/649665770.db2.gz	WVNGQXKUEAYEHN-UHFFFAOYSA-N	-1	0	280.252	0.990	20	30		CCEDRM
CC[C@@H](C#CC(=O)OC)Oc1ncc(C(=O)OC)[n-]1	ZINC001230281654	805591058	/nfs/dbraw/zinc/59/10/58/805591058.db2.gz	CMXYQSLHUUSJCO-QMMMGPOBSA-N	-1	0	266.253	0.530	20	30		CCEDRM
C#CCN(CC(=O)[O-])C(=O)Nc1nnc(C)s1	ZINC000123662686	967617201	/nfs/dbraw/zinc/61/72/01/967617201.db2.gz	IAAXASCTPDCQRQ-UHFFFAOYSA-N	-1	0	254.271	0.398	20	30		CCEDRM
C#CCN(CC(=O)[O-])C(=O)N[C@@H](CC)CSC	ZINC000133586323	967637013	/nfs/dbraw/zinc/63/70/13/967637013.db2.gz	GETIZCXIJMKCHU-VIFPVBQESA-N	-1	0	258.343	0.857	20	30		CCEDRM
C=CCOC(=O)c1ccc(OC(=O)[C@@H](O)CC(=O)[O-])cc1	ZINC001231303804	805772899	/nfs/dbraw/zinc/77/28/99/805772899.db2.gz	XNNCTPXOIBQCKG-NSHDSACASA-N	-1	0	294.259	0.770	20	30		CCEDRM
COC(=O)[C@H]1CN(Cc2ccc(C#N)cc2O)CCO1	ZINC001233383714	806051967	/nfs/dbraw/zinc/05/19/67/806051967.db2.gz	SXDORBCWJMMTSD-CYBMUJFWSA-N	-1	0	276.292	0.638	20	30		CCEDRM
COC(=O)[C@H](CS)Nc1cccc(S(=O)(=O)[O-])n1	ZINC001167622652	791644748	/nfs/dbraw/zinc/64/47/48/791644748.db2.gz	XUMJKLHXUJUPLU-LURJTMIESA-N	-1	0	292.338	0.212	20	30		CCEDRM
NC(=O)c1ccc2nc(=O)[n-]c(O[C@@H]3C=CC(=O)C3)c2c1	ZINC001234515058	806265002	/nfs/dbraw/zinc/26/50/02/806265002.db2.gz	CDWJLEQKHNVUGK-SECBINFHSA-N	-1	0	285.259	0.711	20	30		CCEDRM
Cn1c(=O)[n-]c(SC[C@H]2CCCO2)c(C#N)c1=O	ZINC001120841056	798946989	/nfs/dbraw/zinc/94/69/89/798946989.db2.gz	QPYMIXZOPKSTCT-SSDOTTSWSA-N	-1	0	267.310	0.216	20	30		CCEDRM
CC(C)C[C@@H]1C[C@H]1Nc1[n-]c(=O)n(C)c(=O)c1C#N	ZINC001120856629	798949338	/nfs/dbraw/zinc/94/93/38/798949338.db2.gz	GYLJIFRHQQZMPG-PSASIEDQSA-N	-1	0	262.313	0.792	20	30		CCEDRM
C=CCn1c(-c2cc(=O)[nH][n-]2)nnc1N(C)CC(C)C	ZINC001121663676	799063014	/nfs/dbraw/zinc/06/30/14/799063014.db2.gz	WYHDLGKNHRQWEH-UHFFFAOYSA-N	-1	0	276.344	0.780	20	30		CCEDRM
C#C[C@H]1CCCCN1c1nnc(-c2nn[nH]n2)n1CC	ZINC001121679219	799064973	/nfs/dbraw/zinc/06/49/73/799064973.db2.gz	MHHXUIJRRBYYCM-VIFPVBQESA-N	-1	0	272.316	0.470	20	30		CCEDRM
C=CCNC(=O)C(C#N)=C([O-])c1ccc(C(N)=O)s1	ZINC001122406085	799225012	/nfs/dbraw/zinc/22/50/12/799225012.db2.gz	BLBMINXGWJUIJK-SSDOTTSWSA-N	-1	0	277.305	0.472	20	30		CCEDRM
CNC(=O)c1cccc(C([O-])=C(C#N)C(=O)NC2CC2)n1	ZINC001122413115	799227881	/nfs/dbraw/zinc/22/78/81/799227881.db2.gz	DLTHPEPJPXDMLD-VIFPVBQESA-N	-1	0	286.291	0.042	20	30		CCEDRM
COc1c(C([O-])=C(C#N)C(=O)NC(C)C)cnn1C	ZINC001122547597	799260795	/nfs/dbraw/zinc/26/07/95/799260795.db2.gz	UVXGACFIPBNOCY-QMMMGPOBSA-N	-1	0	264.285	0.276	20	30		CCEDRM
C=CCCOCC(=O)NC[C@@H](C(=O)[O-])[C@H]1CCOC1	ZINC001123400371	799406328	/nfs/dbraw/zinc/40/63/28/799406328.db2.gz	VVULHSHSOQITLJ-WDEREUQCSA-N	-1	0	271.313	0.433	20	30		CCEDRM
C#CCCCNC(=O)c1cccc(-n2[n-]nnc2=N)c1	ZINC001140050546	799877519	/nfs/dbraw/zinc/87/75/19/799877519.db2.gz	QPTLPKVURFOACA-UHFFFAOYSA-N	-1	0	270.296	0.218	20	30		CCEDRM
Nc1nc(Cl)ccc1C(=O)N[C@H]1CCN(O)C1=O	ZINC001141380662	800003790	/nfs/dbraw/zinc/00/37/90/800003790.db2.gz	XWMDBHOLQPJFDT-LURJTMIESA-N	-1	0	270.676	0.037	20	30		CCEDRM
N=C(c1nonc1N)N([O-])C(=O)C(=O)c1ccccc1	ZINC001142681927	800146262	/nfs/dbraw/zinc/14/62/62/800146262.db2.gz	NFLKDYJYTADCEX-UHFFFAOYSA-N	-1	0	275.224	0.078	20	30		CCEDRM
CC[C@H](O)CCNC(=O)c1[n-]c(=O)c(C#N)cc1C	ZINC001149707569	800292993	/nfs/dbraw/zinc/29/29/93/800292993.db2.gz	DQCHSROYWGFHHE-JTQLQIEISA-N	-1	0	263.297	0.858	20	30		CCEDRM
C=CC[C@@H](CO)NC(=O)c1cccc(-c2nc(=O)o[n-]2)c1	ZINC001156150263	801116757	/nfs/dbraw/zinc/11/67/57/801116757.db2.gz	UFEYFHKWULCVHT-NSHDSACASA-N	-1	0	289.291	0.697	20	30		CCEDRM
C#Cc1cnc([N-]S(=O)(=O)c2ccccn2)c(C#C)n1	ZINC001259281987	808747368	/nfs/dbraw/zinc/74/73/68/808747368.db2.gz	NIIQHNROHXNIAX-UHFFFAOYSA-N	-1	0	284.300	0.635	20	30		CCEDRM
CCOC(=O)[C@H](C#N)[N-]S(=O)(=O)C1CCCCC1	ZINC001259817180	808774478	/nfs/dbraw/zinc/77/44/78/808774478.db2.gz	AFLKYSKXJZRAFT-JTQLQIEISA-N	-1	0	274.342	0.694	20	30		CCEDRM
Cc1cc(C#N)nc(NCC[N-]C(=O)C(F)(F)F)n1	ZINC001164237674	802694097	/nfs/dbraw/zinc/69/40/97/802694097.db2.gz	FVKJQAIBKHETRS-UHFFFAOYSA-N	-1	0	273.218	0.747	20	30		CCEDRM
Cc1cnc(C#N)c(NCC[N-]C(=O)C(F)(F)F)n1	ZINC001164245096	802696677	/nfs/dbraw/zinc/69/66/77/802696677.db2.gz	RFMAERSAPBKJPJ-UHFFFAOYSA-N	-1	0	273.218	0.747	20	30		CCEDRM
C#CCO[N-]C(=O)[C@@H]1OCCO[C@@H]1C(F)(F)F	ZINC001166328350	802900201	/nfs/dbraw/zinc/90/02/01/802900201.db2.gz	OISSCWIYZZJMID-RQJHMYQMSA-N	-1	0	253.176	0.014	20	30		CCEDRM
N#Cc1ccc(C(=O)COC(=O)[C@H](O)CCC(=O)[O-])cc1	ZINC001206492046	803253980	/nfs/dbraw/zinc/25/39/80/803253980.db2.gz	QTSLDPVHLCETEQ-LLVKDONJSA-N	-1	0	291.259	0.510	20	30		CCEDRM
Cc1nc(OC2CN(CCC#N)C2)c([N+](=O)[O-])c(=O)[n-]1	ZINC001229377375	814951585	/nfs/dbraw/zinc/95/15/85/814951585.db2.gz	BJIWBCBLVVFKOY-UHFFFAOYSA-N	-1	0	279.256	0.376	20	30		CCEDRM
CC#CCN(C)S(=O)(=O)c1ccc([O-])c([N+](=O)[O-])c1	ZINC001212017216	814979031	/nfs/dbraw/zinc/97/90/31/814979031.db2.gz	AUHHXTVESHWXNP-UHFFFAOYSA-N	-1	0	284.293	0.944	20	30		CCEDRM
C=CCC[C@H](NC(=O)[C@@H](C)n1cncn1)C(=O)[O-]	ZINC000315705417	804640958	/nfs/dbraw/zinc/64/09/58/804640958.db2.gz	FQCPBHGUEUJCPP-BDAKNGLRSA-N	-1	0	252.274	0.375	20	30		CCEDRM
C=CCC[C@@H](NS(=O)(=O)c1cncc(C#N)c1)C(=O)[O-]	ZINC000315987657	804662189	/nfs/dbraw/zinc/66/21/89/804662189.db2.gz	BVKSMZVBMRVRCB-LLVKDONJSA-N	-1	0	295.320	0.651	20	30		CCEDRM
C=CCC[C@@H](NC(=O)c1cnn(C)c1C)C(=O)[O-]	ZINC000316219886	804680325	/nfs/dbraw/zinc/68/03/25/804680325.db2.gz	BYKUFKBYIYUVNN-SNVBAGLBSA-N	-1	0	251.286	0.878	20	30		CCEDRM
N#Cc1cccnc1COC(=O)[C@H](O)CCC(=O)[O-]	ZINC001222742882	804931298	/nfs/dbraw/zinc/93/12/98/804931298.db2.gz	WFIZQLGAINQQFA-SNVBAGLBSA-N	-1	0	264.237	0.222	20	30		CCEDRM
C=CCOCC(COCC=C)OCc1nnn[n-]1	ZINC001223029785	804949542	/nfs/dbraw/zinc/94/95/42/804949542.db2.gz	PRWGBQFZYQLENM-UHFFFAOYSA-N	-1	0	254.290	0.490	20	30		CCEDRM
C=CCOC[C@@H](CS(=O)(=O)[O-])OCC1(C)COC1	ZINC001224467496	805040640	/nfs/dbraw/zinc/04/06/40/805040640.db2.gz	NLXBTPCOGBPTAX-JTQLQIEISA-N	-1	0	280.342	0.499	20	30		CCEDRM
C=C[C@H](Oc1c([O-])c(=O)c(=O)c1=O)c1ccccc1	ZINC001225831871	805167883	/nfs/dbraw/zinc/16/78/83/805167883.db2.gz	DQPXFOGPPIKAPD-VIFPVBQESA-N	-1	0	258.229	0.655	20	30		CCEDRM
CC[C@@H](C#Cc1ccccc1)Oc1c([O-])c(=O)c(=O)c1=O	ZINC001225831312	805168600	/nfs/dbraw/zinc/16/86/00/805168600.db2.gz	SOSXMTTYHDQBOP-NSHDSACASA-N	-1	0	284.267	0.558	20	30		CCEDRM
CN1[C@@H]2C[C@@H](Oc3[n-]c(=O)ncc3F)C[C@H]1[C@@H]1O[C@@H]12	ZINC001225886380	805173093	/nfs/dbraw/zinc/17/30/93/805173093.db2.gz	XBHAPTDJNBIMGF-TZYSGJHYSA-N	-1	0	267.260	0.313	20	30		CCEDRM
N#Cc1ccc(OC(=O)[C@H](O)CCC(=O)[O-])c(F)c1	ZINC001226049113	805189167	/nfs/dbraw/zinc/18/91/67/805189167.db2.gz	GHZPEPBTAHBZPE-SECBINFHSA-N	-1	0	267.212	0.828	20	30		CCEDRM
N#Cc1cccnc1N1CCC(Oc2nncc(=O)[n-]2)CC1	ZINC001226169696	805201373	/nfs/dbraw/zinc/20/13/73/805201373.db2.gz	HRXZIBCCKVLHPW-UHFFFAOYSA-N	-1	0	298.306	0.892	20	30		CCEDRM
C=C[C@@H](Oc1[n-]c(=O)ncc1[N+](=O)[O-])C(=O)OC	ZINC001226336642	805221431	/nfs/dbraw/zinc/22/14/31/805221431.db2.gz	QXKPAQQDKJCRMY-ZCFIWIBFSA-N	-1	0	255.186	0.197	20	30		CCEDRM
C#CC(C#C)Oc1nc(C2CC2)[n-]c(=O)c1[N+](=O)[O-]	ZINC001228610162	805460065	/nfs/dbraw/zinc/46/00/65/805460065.db2.gz	QAZCOQOHFDGBNK-UHFFFAOYSA-N	-1	0	259.221	0.982	20	30		CCEDRM
N#Cc1ccc(-c2cc(=O)n(C(=O)c3nc[nH]n3)[n-]2)cc1	ZINC001245932070	807101551	/nfs/dbraw/zinc/10/15/51/807101551.db2.gz	BTKRMMDRVLRYCN-UHFFFAOYSA-N	-1	0	280.247	0.934	20	30		CCEDRM
CN(C)S(=O)(=O)Nc1cc(C#N)c(F)cc1[O-]	ZINC001251093578	807662905	/nfs/dbraw/zinc/66/29/05/807662905.db2.gz	BJOJADQWSCDQJN-UHFFFAOYSA-N	-1	0	259.262	0.621	20	30		CCEDRM
C=C[C@H](O)CNc1ccc(CC(=O)[N-]S(C)(=O)=O)cc1	ZINC001253596384	808094541	/nfs/dbraw/zinc/09/45/41/808094541.db2.gz	QIFKWYMBIWDGFW-LBPRGKRZSA-N	-1	0	298.364	0.264	20	30		CCEDRM
CC(C)CO[N-]C(=O)C(=O)NCC#Cc1ccccc1	ZINC001256944385	808570637	/nfs/dbraw/zinc/57/06/37/808570637.db2.gz	QVFNPNXTXXPZHL-UHFFFAOYSA-N	-1	0	274.320	0.858	20	30		CCEDRM
COC(=O)CS(=O)(=O)[N-]c1sc(C)cc1C#N	ZINC001259018036	808718456	/nfs/dbraw/zinc/71/84/56/808718456.db2.gz	PYLALAOPNGMLSU-UHFFFAOYSA-N	-1	0	274.323	0.843	20	30		CCEDRM
COC(=O)CS(=O)(=O)[N-]c1c(C)ccnc1C#N	ZINC001259020585	808720247	/nfs/dbraw/zinc/72/02/47/808720247.db2.gz	XNOMJNMCOAIIDQ-UHFFFAOYSA-N	-1	0	269.282	0.176	20	30		CCEDRM
N#Cc1cccc(S(=O)(=O)Nc2c([O-])nc[nH]c2=O)c1	ZINC001259118551	808732693	/nfs/dbraw/zinc/73/26/93/808732693.db2.gz	KREWYXVGPSNMGM-UHFFFAOYSA-N	-1	0	292.276	0.560	20	30		CCEDRM
N#Cc1cnoc1[N-]S(=O)(=O)c1cccnc1	ZINC001259602009	808760688	/nfs/dbraw/zinc/76/06/88/808760688.db2.gz	ACKSFVCWLMJZDR-UHFFFAOYSA-N	-1	0	250.239	0.742	20	30		CCEDRM
N#Cc1cncc([N-]S(=O)(=O)c2cccnc2)n1	ZINC001259602419	808761681	/nfs/dbraw/zinc/76/16/81/808761681.db2.gz	ZBHHSHDZIJFJJI-UHFFFAOYSA-N	-1	0	261.266	0.544	20	30		CCEDRM
C#Cc1cnc([N-]S(=O)(=O)c2cccnc2)c(C#C)n1	ZINC001259602744	808762008	/nfs/dbraw/zinc/76/20/08/808762008.db2.gz	SPFMDDGEWXKJCW-UHFFFAOYSA-N	-1	0	284.300	0.635	20	30		CCEDRM
N#Cc1ncc(Br)cc1[N-]S(N)(=O)=O	ZINC001260074193	808840699	/nfs/dbraw/zinc/84/06/99/808840699.db2.gz	CVUWDCVGIHKEGG-UHFFFAOYSA-N	-1	0	277.103	0.331	20	30		CCEDRM
N#C[C@@H]1CCCN1S(=O)(=O)c1ccc(O)c(C(=O)[O-])c1	ZINC001260393097	808860183	/nfs/dbraw/zinc/86/01/83/808860183.db2.gz	KVRUNXZYPUXXHZ-QMMMGPOBSA-N	-1	0	296.304	0.767	20	30		CCEDRM
Cc1nc(S(=O)(=O)[N-]c2ncccc2C#N)cn1C	ZINC001260542154	808863190	/nfs/dbraw/zinc/86/31/90/808863190.db2.gz	MFNYAFARMMGVHY-UHFFFAOYSA-N	-1	0	277.309	0.796	20	30		CCEDRM
Cc1nc(S(=O)(=O)[N-]c2nnccc2C#N)cn1C	ZINC001260542740	808863436	/nfs/dbraw/zinc/86/34/36/808863436.db2.gz	NGGQOFFVZUWIKE-UHFFFAOYSA-N	-1	0	278.297	0.191	20	30		CCEDRM
C#CCSCCNC(=O)C(=O)[N-]OCc1ccccc1	ZINC001261092862	808903714	/nfs/dbraw/zinc/90/37/14/808903714.db2.gz	RGQIVZNEEPHINM-UHFFFAOYSA-N	-1	0	292.360	0.717	20	30		CCEDRM
C=CCO[C@H]1CCN(S(=O)(=O)c2ncc[n-]2)C1	ZINC001261854861	809112108	/nfs/dbraw/zinc/11/21/08/809112108.db2.gz	YARRLUSVQVXRDL-VIFPVBQESA-N	-1	0	257.315	0.375	20	30		CCEDRM
N#Cc1cccc(O[N-]C(=O)CO[C@@H]2CCOC2)c1	ZINC001261885746	809120058	/nfs/dbraw/zinc/12/00/58/809120058.db2.gz	LHBIKCBAVYVCFS-GFCCVEGCSA-N	-1	0	262.265	0.774	20	30		CCEDRM
C=CC[C@H]1CCCN(C(=O)C(=O)N[C@H]2C[C@H](C(=O)[O-])C2)C1	ZINC001262057426	809176246	/nfs/dbraw/zinc/17/62/46/809176246.db2.gz	TWRFXLRXFXUYBF-SRVKXCTJSA-N	-1	0	294.351	0.781	20	30		CCEDRM
C=C[C@@H]1O[C@H](OCCS(=O)(=O)[O-])[C@H]2OC(C)(C)O[C@@H]12	ZINC001224570530	815271516	/nfs/dbraw/zinc/27/15/16/815271516.db2.gz	NPVDGYXIVZMYQQ-XKNYDFJKSA-N	-1	0	294.325	0.322	20	30		CCEDRM
C=C[C@@H](COC)NS(=O)(=O)c1ccc(CC(=O)[O-])cc1	ZINC001262205441	809241481	/nfs/dbraw/zinc/24/14/81/809241481.db2.gz	SNPYQVQXHLXHNN-NSHDSACASA-N	-1	0	299.348	0.793	20	30		CCEDRM
C=CCn1c(-c2cnc[nH]c2=O)nnc1N(C)OC	ZINC001262957509	809424844	/nfs/dbraw/zinc/42/48/44/809424844.db2.gz	WRLBHAWCKZGWIH-UHFFFAOYSA-N	-1	0	262.273	0.624	20	30		CCEDRM
C=C(C)CN(CC)c1nnc(-c2nn[nH]n2)n1CC	ZINC001263012404	809426571	/nfs/dbraw/zinc/42/65/71/809426571.db2.gz	KHXSBUSKCASRJT-UHFFFAOYSA-N	-1	0	262.321	0.881	20	30		CCEDRM
CNC(=O)C(C#N)=C([O-])c1cnn(-c2ccccc2)c1OC	ZINC001263292987	809504276	/nfs/dbraw/zinc/50/42/76/809504276.db2.gz	YUXPKTFIBGIWLY-NSHDSACASA-N	-1	0	298.302	0.949	20	30		CCEDRM
C=CC[C@H](NC(=O)NCC1=CCCOC1)C(=O)[O-]	ZINC000379567329	809515114	/nfs/dbraw/zinc/51/51/14/809515114.db2.gz	KBACXUGJQDRCHH-JTQLQIEISA-N	-1	0	254.286	0.662	20	30		CCEDRM
Cc1ccc(-n2nc(N)c(C#N)c2N)cc1C(=O)[O-]	ZINC001211596889	811111855	/nfs/dbraw/zinc/11/18/55/811111855.db2.gz	OUURIMPIQOIXCG-UHFFFAOYSA-N	-1	0	257.253	0.915	20	30		CCEDRM
C[C@@]1(C#N)CCN(C(=O)N[C@H]2C[C@H](C(=O)[O-])C2)C1	ZINC000694558809	811478117	/nfs/dbraw/zinc/47/81/17/811478117.db2.gz	COPBWDKFZSNZTE-AUTRQRHGSA-N	-1	0	251.286	0.795	20	30		CCEDRM
N#Cc1ccccc1CS(=O)(=O)NC1(C(=O)[O-])CC1	ZINC000201849163	811672144	/nfs/dbraw/zinc/67/21/44/811672144.db2.gz	BYIPOXBHOFVSSX-UHFFFAOYSA-N	-1	0	280.305	0.595	20	30		CCEDRM
C=CCOC[C@@H](CS(=O)(=O)[O-])OCc1cccnn1	ZINC001222997378	812063175	/nfs/dbraw/zinc/06/31/75/812063175.db2.gz	ULJTVACRAZLEDF-NSHDSACASA-N	-1	0	288.325	0.452	20	30		CCEDRM
C=CCOC[C@@H](CS(=O)(=O)[O-])OCc1c[nH]cn1	ZINC001223000219	812064176	/nfs/dbraw/zinc/06/41/76/812064176.db2.gz	LLLZYEQMZZGAHL-JTQLQIEISA-N	-1	0	276.314	0.385	20	30		CCEDRM
C=CCOC[C@H](CS(=O)(=O)[O-])Oc1ncncc1F	ZINC001226708763	814095568	/nfs/dbraw/zinc/09/55/68/814095568.db2.gz	YYOWTLCVFKQPMG-MRVPVSSYSA-N	-1	0	292.288	0.454	20	30		CCEDRM
N#Cc1nccc(NC(=N)SCCS(=O)(=O)[O-])n1	ZINC001168089896	814619563	/nfs/dbraw/zinc/61/95/63/814619563.db2.gz	YQTNVUNNDWQHGI-UHFFFAOYSA-N	-1	0	287.326	0.316	20	30		CCEDRM
C#C[C@@H](Oc1nnc(C(=O)OC)[n-]1)c1ccncc1	ZINC001228314939	814672465	/nfs/dbraw/zinc/67/24/65/814672465.db2.gz	VDMCHAMJPMYCID-SECBINFHSA-N	-1	0	258.237	0.740	20	30		CCEDRM
C=C(C)CCN1CC(NC(=O)c2[nH]nc(C)c2[O-])C1	ZINC001030222569	815906346	/nfs/dbraw/zinc/90/63/46/815906346.db2.gz	PPXVRUKQZHBEOL-UHFFFAOYSA-N	-1	0	264.329	0.804	20	30		CCEDRM
COc1ccnc(C(=N)Nc2cnc(C(=O)[O-])c(C)c2)n1	ZINC001168427649	816267637	/nfs/dbraw/zinc/26/76/37/816267637.db2.gz	FZNMYIUBTYLQDO-UHFFFAOYSA-N	-1	0	287.279	0.924	20	30		CCEDRM
CC(C)NC(=O)C(C#N)=C([O-])c1cccc(-n2cnnn2)c1	ZINC000130633255	817126779	/nfs/dbraw/zinc/12/67/79/817126779.db2.gz	QSARVQDIUBXVKX-LBPRGKRZSA-N	-1	0	298.306	0.509	20	30		CCEDRM
N#Cc1ncc(-n2[n-]c(=O)nc2C[NH3+])cc1C(F)(F)F	ZINC001168760566	819728179	/nfs/dbraw/zinc/72/81/79/819728179.db2.gz	BUTLBCZERAWPNN-UHFFFAOYSA-N	-1	0	284.201	0.717	20	30		CCEDRM
N#CC1(CS(=O)(=O)[N-]C(=O)COCC2CC2)CC1	ZINC000793200934	837399861	/nfs/dbraw/zinc/39/98/61/837399861.db2.gz	GAVOAQUKUPSYKM-UHFFFAOYSA-N	-1	0	272.326	0.163	20	30		CCEDRM
C[C@H]1C[C@@H](C(=O)[N-]S(=O)(=O)CC2(C#N)CC2)CCC1=O	ZINC000793198652	837404382	/nfs/dbraw/zinc/40/43/82/837404382.db2.gz	ZJGJGZORTKGNLX-UWVGGRQHSA-N	-1	0	298.364	0.741	20	30		CCEDRM
Cc1[nH]c2ccc(C#N)cc2c1CC(=O)N[C@@H]1CO[N-]C1=O	ZINC001183890074	844105734	/nfs/dbraw/zinc/10/57/34/844105734.db2.gz	PWHBTDKOGJBGKS-CYBMUJFWSA-N	-1	0	298.302	0.437	20	30		CCEDRM
COC(=O)n1ncc(C#N)c1Nc1ncnc2nc[nH]c21	ZINC001169961517	836489897	/nfs/dbraw/zinc/48/98/97/836489897.db2.gz	QPNNNTXZVXFMSO-UHFFFAOYSA-N	-1	0	284.239	0.779	20	30		CCEDRM
Nc1nc(=O)[nH]cc1NC(=O)CCC(=O)C1=CC=C[CH]1	ZINC001184244800	844187660	/nfs/dbraw/zinc/18/76/60/844187660.db2.gz	VSRQJNKPASBPJY-UHFFFAOYSA-N	-1	0	273.272	0.753	20	30		CCEDRM
O=C(CCC(=O)C1=CC=C[CH]1)NCCN1CC2(COC2)C1	ZINC001184245984	844187878	/nfs/dbraw/zinc/18/78/78/844187878.db2.gz	GQRSBUZFCXPDBN-UHFFFAOYSA-N	-1	0	289.355	0.485	20	30		CCEDRM
NC(=O)N1CCN(C(=O)CCC(=O)C2=CC=C[CH]2)CC1	ZINC001184244924	844187886	/nfs/dbraw/zinc/18/78/86/844187886.db2.gz	ZUXQCPTXEAIGMV-UHFFFAOYSA-N	-1	0	276.316	0.259	20	30		CCEDRM
CN1C[C@H](CNC(=O)CCC(=O)C2=CC=C[CH]2)CC1=O	ZINC001184246764	844188532	/nfs/dbraw/zinc/18/85/32/844188532.db2.gz	ZEIZDPIMMABQFD-NSHDSACASA-N	-1	0	275.328	0.631	20	30		CCEDRM
CC(C)(C)C#CC(=O)N1CCN(Cc2n[nH]c(=O)[n-]2)CC1	ZINC001112837068	836935499	/nfs/dbraw/zinc/93/54/99/836935499.db2.gz	PYILAYVAGQVARW-UHFFFAOYSA-N	-1	0	291.355	0.204	20	30		CCEDRM
CO[N-]C(=O)CNC(=O)/C=C/c1ccccc1C#N	ZINC001134634482	839031807	/nfs/dbraw/zinc/03/18/07/839031807.db2.gz	GKMJIUAHPJWBIP-VOTSOKGWSA-N	-1	0	259.265	0.365	20	30		CCEDRM
Cc1ccc(S(=O)(=O)NCC(C)(C)C#N)nn1	ZINC000712810380	841111587	/nfs/dbraw/zinc/11/15/87/841111587.db2.gz	OYQRVIQVXLRRTD-UHFFFAOYSA-N	-1	0	254.315	0.613	20	30		CCEDRM
Cc1n[nH]c(C(=O)NCCNc2ncccc2C#N)c1[O-]	ZINC001093585529	841353313	/nfs/dbraw/zinc/35/33/13/841353313.db2.gz	MSQVHQUHTHXVNB-UHFFFAOYSA-N	-1	0	286.295	0.532	20	30		CCEDRM
C=C(C)Nc1ccc(S(=O)(=O)[N-]C(N)=O)cc1	ZINC001174795228	842212447	/nfs/dbraw/zinc/21/24/47/842212447.db2.gz	SPOAGHDFPIUSIG-UHFFFAOYSA-N	-1	0	255.299	0.989	20	30		CCEDRM
N#CCc1cc(NC(=O)Cc2nnn[n-]2)ccc1F	ZINC001176844971	842443417	/nfs/dbraw/zinc/44/34/17/842443417.db2.gz	LVEPTWUTBNGGIY-UHFFFAOYSA-N	-1	0	260.232	0.586	20	30		CCEDRM
Cn1ccc(C(=O)NC2(C#N)CCOCC2)c1CC(=O)[O-]	ZINC001177369399	842550138	/nfs/dbraw/zinc/55/01/38/842550138.db2.gz	OZWFSKUZFGGWPI-UHFFFAOYSA-N	-1	0	291.307	0.455	20	30		CCEDRM
N#CCc1cc(NC(=O)Cn2nn[n-]c2=S)ccc1F	ZINC001177742293	842664676	/nfs/dbraw/zinc/66/46/76/842664676.db2.gz	CJNBSNDLSVOBMC-UHFFFAOYSA-N	-1	0	292.299	0.806	20	30		CCEDRM
O=C([O-])C(F)(F)C(F)(F)C(=O)NCCCS	ZINC001180176714	843110064	/nfs/dbraw/zinc/11/00/64/843110064.db2.gz	LUYXUGJMNLVWNA-UHFFFAOYSA-N	-1	0	263.212	0.778	20	30		CCEDRM
N#Cc1ccccc1CC(=O)N[C@H]1SC(=O)[N-]C1=O	ZINC001181802870	843619243	/nfs/dbraw/zinc/61/92/43/843619243.db2.gz	XSICLPYPUAPNLZ-NSHDSACASA-N	-1	0	275.289	0.526	20	30		CCEDRM
C=C(C[NH+]1CCCC1)C(=O)N[C@@H]1SC(=O)[N-]C1=O	ZINC001183079692	843960969	/nfs/dbraw/zinc/96/09/69/843960969.db2.gz	DIXIHTAKRNZTCP-SNVBAGLBSA-N	-1	0	269.326	0.064	20	30		CCEDRM
N#Cc1ccccc1C1(C(=O)NCc2nnn[n-]2)CC1	ZINC001183292944	844000763	/nfs/dbraw/zinc/00/07/63/844000763.db2.gz	FXXLRJKPHNTOCK-UHFFFAOYSA-N	-1	0	268.280	0.419	20	30		CCEDRM
C=C[C@@H](C)NS(=O)(=O)c1cc(C(=O)OC)[nH]n1	ZINC001188165897	844841064	/nfs/dbraw/zinc/84/10/64/844841064.db2.gz	WTPYJGBFLGBJQT-ZCFIWIBFSA-N	-1	0	259.287	0.049	20	30		CCEDRM
N#Cc1cncc([N-]S(=O)(=O)c2ccoc2)n1	ZINC001188570753	844909446	/nfs/dbraw/zinc/90/94/46/844909446.db2.gz	NHAXKNKNEATRFH-UHFFFAOYSA-N	-1	0	250.239	0.742	20	30		CCEDRM
N#CNC(=NC(=O)c1ccncc1[O-])c1ccncc1	ZINC001188636751	844941457	/nfs/dbraw/zinc/94/14/57/844941457.db2.gz	HNUZFAVDBOOCMZ-UHFFFAOYSA-N	-1	0	267.248	0.840	20	30		CCEDRM
C[C@@H](C#N)N(C)C(=O)c1ccccc1S(=O)(=O)[O-]	ZINC001189689664	845192943	/nfs/dbraw/zinc/19/29/43/845192943.db2.gz	LAENJKNPFGALDW-QMMMGPOBSA-N	-1	0	268.294	0.917	20	30		CCEDRM
C=CCC1(S(=O)(=O)[N-]c2c(C)n(C)nc2C(N)=O)CC1	ZINC001190773157	845493703	/nfs/dbraw/zinc/49/37/03/845493703.db2.gz	AEWJQEIXSFJVNK-UHFFFAOYSA-N	-1	0	298.368	0.678	20	30		CCEDRM
N#C[C@H]1CNCCN1C(=O)c1ccc(F)c(F)c1[O-]	ZINC001192796341	845910964	/nfs/dbraw/zinc/91/09/64/845910964.db2.gz	CWPXMZVKNUVMAZ-ZETCQYMHSA-N	-1	0	267.235	0.608	20	30		CCEDRM
N#CCS(=O)(=O)[N-]c1ccc2nnsc2c1	ZINC001192982413	845943063	/nfs/dbraw/zinc/94/30/63/845943063.db2.gz	PBFHOCARDBIKOV-UHFFFAOYSA-N	-1	0	254.296	0.957	20	30		CCEDRM
N#CCS(=O)(=O)[N-]c1cccc2c1CCNC2=O	ZINC001192985391	845945382	/nfs/dbraw/zinc/94/53/82/845945382.db2.gz	COTNFLHGFSGSDW-UHFFFAOYSA-N	-1	0	265.294	0.238	20	30		CCEDRM
N#CCS(=O)(=O)[N-]c1cccc(F)c1C(N)=O	ZINC001192972052	845957010	/nfs/dbraw/zinc/95/70/10/845957010.db2.gz	HEMRQRGQLLGCTQ-UHFFFAOYSA-N	-1	0	257.246	0.190	20	30		CCEDRM
COC(=O)c1ccc([N-]S(=O)(=O)CC#N)c(OC)c1	ZINC001192979073	845961219	/nfs/dbraw/zinc/96/12/19/845961219.db2.gz	XDOIAWPNUOAEAF-UHFFFAOYSA-N	-1	0	284.293	0.747	20	30		CCEDRM
Cc1cc([N-]S(=O)(=O)[C@H](C)C#N)n2ncnc2n1	ZINC001193105910	845978246	/nfs/dbraw/zinc/97/82/46/845978246.db2.gz	GMJRRTZLCBUVCU-SSDOTTSWSA-N	-1	0	266.286	0.087	20	30		CCEDRM
COC(=O)c1ccc([N-]S(=O)(=O)[C@H](C)C#N)cn1	ZINC001193106039	845979859	/nfs/dbraw/zinc/97/98/59/845979859.db2.gz	JQTNRFBUTYETGU-SSDOTTSWSA-N	-1	0	269.282	0.522	20	30		CCEDRM
C[C@H](C#N)S(=O)(=O)[N-]c1ccc2c(c1)CN(C)C2=O	ZINC001193146572	846004783	/nfs/dbraw/zinc/00/47/83/846004783.db2.gz	PHUSADRORGFJNM-MRVPVSSYSA-N	-1	0	279.321	0.926	20	30		CCEDRM
C[C@H](C#N)S(=O)(=O)[N-]c1cc(F)ccc1CO	ZINC001193150319	846007021	/nfs/dbraw/zinc/00/70/21/846007021.db2.gz	WNBJOPVUDXEYSJ-SSDOTTSWSA-N	-1	0	258.274	0.972	20	30		CCEDRM
C=CC[C@@](C)(NS(=O)(=O)[C@H](C)C#N)C(=O)OC	ZINC001193195236	846013926	/nfs/dbraw/zinc/01/39/26/846013926.db2.gz	XYOUJRIWYPDSGM-PSASIEDQSA-N	-1	0	260.315	0.326	20	30		CCEDRM
N#Cc1cnoc1[N-]S(=O)(=O)C[C@H]1CCCO1	ZINC001193205912	846017731	/nfs/dbraw/zinc/01/77/31/846017731.db2.gz	MYIFLPZEVFSEFG-MRVPVSSYSA-N	-1	0	257.271	0.467	20	30		CCEDRM
N#Cc1cc(C(=O)N2CCNC[C@@H]2C#N)ccc1[O-]	ZINC001193506867	846100956	/nfs/dbraw/zinc/10/09/56/846100956.db2.gz	RFLUNXDTYWIJHI-NSHDSACASA-N	-1	0	256.265	0.201	20	30		CCEDRM
CC1(C)C(=O)NCCN1C(=O)c1ccc([O-])c(C#N)c1	ZINC001193504421	846101278	/nfs/dbraw/zinc/10/12/78/846101278.db2.gz	RMCSXGPRCSLDKU-UHFFFAOYSA-N	-1	0	273.292	0.614	20	30		CCEDRM
N#Cc1cc(C(=O)NCCCc2c[nH][nH]c2=O)ccc1[O-]	ZINC001193511608	846101749	/nfs/dbraw/zinc/10/17/49/846101749.db2.gz	DEBATEMUOAPOIU-SNVBAGLBSA-N	-1	0	286.291	0.506	20	30		CCEDRM
CCOC(=O)CC(=N)NC(=O)c1ccc([O-])c(C#N)c1	ZINC001193512664	846103299	/nfs/dbraw/zinc/10/32/99/846103299.db2.gz	REOUHVDOLBXKKJ-UHFFFAOYSA-N	-1	0	275.264	0.924	20	30		CCEDRM
CSCC[C@H](NC(=O)c1ccc([O-])c(C#N)c1)C(N)=O	ZINC001193515187	846103579	/nfs/dbraw/zinc/10/35/79/846103579.db2.gz	KWJIFNNHKDXPOP-JTQLQIEISA-N	-1	0	293.348	0.601	20	30		CCEDRM
N#Cc1cccc(C(=O)Nc2oncc2C(N)=O)c1[O-]	ZINC001193643113	846135567	/nfs/dbraw/zinc/13/55/67/846135567.db2.gz	WNFCWWLCPXMCRL-UHFFFAOYSA-N	-1	0	272.220	0.603	20	30		CCEDRM
N#Cc1cccc(C(=O)N[C@H]2COCC[C@@H]2O)c1[O-]	ZINC001193658201	846139676	/nfs/dbraw/zinc/13/96/76/846139676.db2.gz	XVBOGQPXEKSAAL-QWRGUYRKSA-N	-1	0	262.265	0.143	20	30		CCEDRM
C=C[C@@H]1C[C@]1(NC(=O)c1cc(=O)n(C)[n-]1)C(=O)OCC	ZINC001194212545	846241974	/nfs/dbraw/zinc/24/19/74/846241974.db2.gz	SZMGDYUFNCYOSX-AMIZOPFISA-N	-1	0	279.296	0.363	20	30		CCEDRM
Cc1ccc([O-])c(C(=O)N=C(N)c2ccc(C(N)=O)cc2)n1	ZINC001195332525	846518949	/nfs/dbraw/zinc/51/89/49/846518949.db2.gz	XNUKFNRWCVKQFC-UHFFFAOYSA-N	-1	0	298.302	0.740	20	30		CCEDRM
N#Cc1ccc(C(=O)N=c2[nH]cnn3cccc23)c([O-])c1	ZINC001195733167	846603946	/nfs/dbraw/zinc/60/39/46/846603946.db2.gz	BVTCNFXJVZEJPJ-UHFFFAOYSA-N	-1	0	279.259	0.981	20	30		CCEDRM
N#Cc1ccc(C(=O)N[C@H]2CCS(=O)(=O)C2)c([O-])c1	ZINC001195757364	846609770	/nfs/dbraw/zinc/60/97/70/846609770.db2.gz	AZDKFFDCITUQLI-VIFPVBQESA-N	-1	0	280.305	0.181	20	30		CCEDRM
N#Cc1ccc(C(=O)N2CC[C@@H](O)[C@@H](CO)C2)c([O-])c1	ZINC001195740840	846618956	/nfs/dbraw/zinc/61/89/56/846618956.db2.gz	LUERJOLIEKUJPJ-ZYHUDNBSSA-N	-1	0	276.292	0.079	20	30		CCEDRM
CN1CCO[C@H]2CN(C(=O)c3ccc(C#N)cc3[O-])C[C@H]21	ZINC001195741078	846619552	/nfs/dbraw/zinc/61/95/52/846619552.db2.gz	NXTAYBDINJXYTP-OCCSQVGLSA-N	-1	0	287.319	0.419	20	30		CCEDRM
CCOC(=O)CS(=O)(=O)[N-]c1ccc(C#N)nc1C	ZINC001195943189	846648283	/nfs/dbraw/zinc/64/82/83/846648283.db2.gz	ZRNSMCAQGIDMIQ-UHFFFAOYSA-N	-1	0	283.309	0.567	20	30		CCEDRM
C#C[C@H](C)NS(=O)(=O)c1ccccc1C(=O)[O-]	ZINC001198802382	847173439	/nfs/dbraw/zinc/17/34/39/847173439.db2.gz	ZDWGTTRJYZFPOZ-QMMMGPOBSA-N	-1	0	253.279	0.685	20	30		CCEDRM
Cc1ccc(S(=O)(=O)[N-]c2cn(C)nn2)cc1C#N	ZINC001201295698	847760973	/nfs/dbraw/zinc/76/09/73/847760973.db2.gz	XNCAUKIYAYEBQJ-UHFFFAOYSA-N	-1	0	277.309	0.796	20	30		CCEDRM
CC(C)[C@H](NC(N)=O)C(=O)Nc1cc(C#N)ccc1[O-]	ZINC001153000711	847905877	/nfs/dbraw/zinc/90/58/77/847905877.db2.gz	XWRWIVWOUIQCTJ-NSHDSACASA-N	-1	0	276.296	0.895	20	30		CCEDRM
Cn1ncc([N-]S(=O)(=O)c2ccc(C#N)cc2)c1C#N	ZINC001258045367	849127692	/nfs/dbraw/zinc/12/76/92/849127692.db2.gz	ITFVNBJTJXSKFZ-UHFFFAOYSA-N	-1	0	287.304	0.964	20	30		CCEDRM
C=CCC1(C(=O)[O-])CN(S(=O)(=O)N(CC)CC)C1	ZINC000722908575	850166931	/nfs/dbraw/zinc/16/69/31/850166931.db2.gz	PVMZCYNRPHGJPN-UHFFFAOYSA-N	-1	0	276.358	0.536	20	30		CCEDRM
Cc1[nH]nc(C(=O)N2CC[C@H]3CCN(CC#N)[C@@H]3C2)c1[O-]	ZINC001042016462	850558329	/nfs/dbraw/zinc/55/83/29/850558329.db2.gz	PTQKJDYKTQOFDB-GHMZBOCLSA-N	-1	0	289.339	0.484	20	30		CCEDRM
Cc1n[nH]c(C(=O)N[C@@]2(C)CCN(CC#N)C2)c1[O-]	ZINC001046247168	851437389	/nfs/dbraw/zinc/43/73/89/851437389.db2.gz	XHDLGZMGHFNRJP-LBPRGKRZSA-N	-1	0	263.301	0.142	20	30		CCEDRM
CC(C)C[C@@H](C#N)[N-]S(=O)(=O)N=S(C)(C)=O	ZINC000903102461	852138014	/nfs/dbraw/zinc/13/80/14/852138014.db2.gz	NXOBEXLDZINYEU-QMMMGPOBSA-N	-1	0	267.376	0.487	20	30		CCEDRM
N#Cc1cccc(-c2cn(CCOCC(=O)[O-])nn2)c1	ZINC001254089442	852457293	/nfs/dbraw/zinc/45/72/93/852457293.db2.gz	GEJJLALWJUPJHS-UHFFFAOYSA-N	-1	0	272.264	0.918	20	30		CCEDRM
C#CCN1CCN(C(=O)c2ccc(C(=O)[O-])s2)CC1	ZINC000383809473	853081316	/nfs/dbraw/zinc/08/13/16/853081316.db2.gz	KBYPGRHYENFKOL-UHFFFAOYSA-N	-1	0	278.333	0.837	20	30		CCEDRM
C#CC[C@H](NC(=O)c1c(OC)cccc1OC)C(=O)[O-]	ZINC000149874838	854005941	/nfs/dbraw/zinc/00/59/41/854005941.db2.gz	WARUUHFMSNSVFI-VIFPVBQESA-N	-1	0	277.276	0.910	20	30		CCEDRM
C=CCCCC(=O)N1C[C@@H](C)[C@@H](NC(=O)c2cn[nH]n2)C1	ZINC001072632195	854433039	/nfs/dbraw/zinc/43/30/39/854433039.db2.gz	JMFUJKKGNBGRHT-PWSUYJOCSA-N	-1	0	291.355	0.738	20	30		CCEDRM
C=CC[C@H](NC(=O)C1(C(=O)NC)CCC1)C(=O)[O-]	ZINC001116906193	855862321	/nfs/dbraw/zinc/86/23/21/855862321.db2.gz	HLIMLTFWLUQFHN-QMMMGPOBSA-N	-1	0	254.286	0.048	20	30		CCEDRM
C=CC[C@@H](NC(=O)[C@@H](C)OCCOCC)C(=O)[O-]	ZINC001116906165	855862901	/nfs/dbraw/zinc/86/29/01/855862901.db2.gz	GJZXBIHLLWKMGH-NXEZZACHSA-N	-1	0	259.302	0.574	20	30		CCEDRM
C=C(C)COCCNC(=O)C(=O)[N-]OCC(C)C	ZINC001117605284	856024903	/nfs/dbraw/zinc/02/49/03/856024903.db2.gz	MUNSBMMFRXOFCP-UHFFFAOYSA-N	-1	0	258.318	0.399	20	30		CCEDRM
CC(C)NC(=S)NN=Cc1c(C(=O)[O-])cnn1C	ZINC001118322365	856260146	/nfs/dbraw/zinc/26/01/46/856260146.db2.gz	BRBVHLHOOAAILQ-UHFFFAOYSA-N	-1	0	269.330	0.325	20	30		CCEDRM
C=CC[C@H](NC(=O)Cc1nnn(C(C)(C)C)n1)C(=O)[O-]	ZINC001118483322	856310035	/nfs/dbraw/zinc/31/00/35/856310035.db2.gz	PLEQDJWFHOOFJJ-QMMMGPOBSA-N	-1	0	281.316	0.116	20	30		CCEDRM
C=CC[C@@H](NCc1cc(C(=O)[O-])nn1C)C(=O)OCC	ZINC001119035962	856535783	/nfs/dbraw/zinc/53/57/83/856535783.db2.gz	FOEWJPTVWOBROW-SNVBAGLBSA-N	-1	0	281.312	0.716	20	30		CCEDRM
C=CCO[C@H]1CCN(C(=O)C(=O)NCCCCC(=O)[O-])C1	ZINC001119335077	856638603	/nfs/dbraw/zinc/63/86/03/856638603.db2.gz	CKADYYBFJLJDKU-NSHDSACASA-N	-1	0	298.339	0.161	20	30		CCEDRM
C=CC[C@H](NC(=O)NC[C@H](C)CN1CCOCC1)C(=O)[O-]	ZINC001119577600	856751599	/nfs/dbraw/zinc/75/15/99/856751599.db2.gz	QSDOWNSKTANPLB-RYUDHWBXSA-N	-1	0	299.371	0.283	20	30		CCEDRM
C=CC[C@@H](NC(=O)[C@@H](C)Oc1cccnc1)C(=O)[O-]	ZINC001119580608	856752444	/nfs/dbraw/zinc/75/24/44/856752444.db2.gz	OIDMPAUDFTYJTA-MWLCHTKSSA-N	-1	0	264.281	0.994	20	30		CCEDRM
C=CC[C@H](NC(=O)N[C@@H]1CCO[C@@]2(CCOC2)C1)C(=O)[O-]	ZINC001119635751	856797227	/nfs/dbraw/zinc/79/72/27/856797227.db2.gz	RUNOLHRVOVJEJT-SUNKGSAMSA-N	-1	0	298.339	0.653	20	30		CCEDRM
C=CC[C@H](NC(=O)c1cnc([C@@H](C)O)s1)C(=O)[O-]	ZINC001119643724	856803065	/nfs/dbraw/zinc/80/30/65/856803065.db2.gz	GGLVLQDWZBAWEY-RQJHMYQMSA-N	-1	0	270.310	0.956	20	30		CCEDRM
Cn1cc(C(=O)[O-])cc1C=NN1CCN(C)CC1	ZINC001120341538	857039910	/nfs/dbraw/zinc/03/99/10/857039910.db2.gz	FLGCZTYVSVQSFO-UHFFFAOYSA-N	-1	0	250.302	0.305	20	30		CCEDRM
C=C[C@H](COC)NC(=O)C(=O)[N-]OCc1ccccc1	ZINC001323527491	912394427	/nfs/dbraw/zinc/39/44/27/912394427.db2.gz	GQINGSUBAJPPSN-GFCCVEGCSA-N	-1	0	278.308	0.552	20	30		CCEDRM
C=CCC(C)(C)C(=O)N[C@@H]1CCN(Cc2n[nH]c(=O)[n-]2)C1	ZINC001481706803	893055699	/nfs/dbraw/zinc/05/56/99/893055699.db2.gz	TXRKQONAXSXIAP-SNVBAGLBSA-N	-1	0	293.371	0.803	20	30		CCEDRM
C[C@H](CCNCC#N)NC(=O)c1ccc2oc(=O)nc-2[n-]1	ZINC001482888393	894670157	/nfs/dbraw/zinc/67/01/57/894670157.db2.gz	JQRKOBDZVXEFRL-MRVPVSSYSA-N	-1	0	289.295	0.550	20	30		CCEDRM
C#CCCCC(=O)N[C@@]1(C)CCN(Cc2n[nH]c(=O)[n-]2)C1	ZINC001484042249	896172157	/nfs/dbraw/zinc/17/21/57/896172157.db2.gz	ORNZANXQBWWIPN-AWEZNQCLSA-N	-1	0	291.355	0.394	20	30		CCEDRM
C=CC(C)(C)C(=O)N1C[C@@H]2C[C@H]1CN2Cc1n[nH]c(=O)[n-]1	ZINC001032562570	897750594	/nfs/dbraw/zinc/75/05/94/897750594.db2.gz	XFZOJRAXRWMYRP-UWVGGRQHSA-N	-1	0	291.355	0.508	20	30		CCEDRM
CCOC(=O)c1ncncc1[N-]S(=O)(=O)[C@H](C)C#N	ZINC001193106289	900031352	/nfs/dbraw/zinc/03/13/52/900031352.db2.gz	FIQZRPSFSSRFKB-SSDOTTSWSA-N	-1	0	284.297	0.307	20	30		CCEDRM
CC(C)n1ncc(C#N)c1[N-]S(=O)(=O)[C@H](C)C#N	ZINC001193106667	900031733	/nfs/dbraw/zinc/03/17/33/900031733.db2.gz	IVLZCTLHVWWIDW-MRVPVSSYSA-N	-1	0	267.314	0.989	20	30		CCEDRM
C[C@H](C#N)S(=O)(=O)[N-]c1nnc(Br)s1	ZINC001193106693	900031979	/nfs/dbraw/zinc/03/19/79/900031979.db2.gz	VMOLGJIRKWHKHO-GSVOUGTGSA-N	-1	0	297.159	0.954	20	30		CCEDRM
CCN(C)c1ncc([N-]S(=O)(=O)[C@@H](C)C#N)cn1	ZINC001193110651	900033260	/nfs/dbraw/zinc/03/32/60/900033260.db2.gz	AGIRNUKFWIKTAD-QMMMGPOBSA-N	-1	0	269.330	0.586	20	30		CCEDRM
N#CC1(C(=O)N2CCO[C@H](c3nnn[n-]3)C2)CC2(CC2)C1	ZINC001411778637	901248404	/nfs/dbraw/zinc/24/84/04/901248404.db2.gz	POIUXEYXIPCWLE-VIFPVBQESA-N	-1	0	288.311	0.184	20	30		CCEDRM
CC[C@@H]1CCN(C(=O)Cn2cc(C#N)c(=O)[n-]c2=O)[C@@H]1C	ZINC001412039025	901423041	/nfs/dbraw/zinc/42/30/41/901423041.db2.gz	ATJIRIQPSBQLGU-NXEZZACHSA-N	-1	0	290.323	0.468	20	30		CCEDRM
Cn1c(=O)[n-]c(Sc2ccccc2O)c(C#N)c1=O	ZINC001458523818	902094502	/nfs/dbraw/zinc/09/45/02/902094502.db2.gz	UPTKTUMBVCOUKD-UHFFFAOYSA-N	-1	0	275.289	0.802	20	30		CCEDRM
N#CCCCS(=O)(=O)[N-]C(=O)c1noc2c1COCC2	ZINC001334859239	906465734	/nfs/dbraw/zinc/46/57/34/906465734.db2.gz	UZOIYDKOVWODFG-UHFFFAOYSA-N	-1	0	299.308	0.111	20	30		CCEDRM
C[C@@H]1CCCC[C@H]1Nc1[n-]c(=O)n(C)c(=O)c1C#N	ZINC001337760412	921291918	/nfs/dbraw/zinc/29/19/18/921291918.db2.gz	UJHFNEWPMNVCHT-PSASIEDQSA-N	-1	0	262.313	0.936	20	30		CCEDRM
CNS(=O)(=O)c1cc(NC(=O)CC#N)ccc1[O-]	ZINC001297651939	907097827	/nfs/dbraw/zinc/09/78/27/907097827.db2.gz	JFSBKPYGJNQBBF-UHFFFAOYSA-N	-1	0	269.282	0.152	20	30		CCEDRM
C[C@@H]1CCCN(c2[n-]c(=O)n(C)c(=O)c2C#N)[C@@H]1C	ZINC001337867439	921300377	/nfs/dbraw/zinc/30/03/77/921300377.db2.gz	DYMGASARQHFZLX-RKDXNWHRSA-N	-1	0	262.313	0.570	20	30		CCEDRM
Cn1c(=O)[n-]c(NC2CC(F)(F)C2)c(C#N)c1=O	ZINC001337957697	921325480	/nfs/dbraw/zinc/32/54/80/921325480.db2.gz	JOMXKUKWMJDQIZ-UHFFFAOYSA-N	-1	0	256.212	0.155	20	30		CCEDRM
C#CCSCC(=O)[N-]S(=O)(=O)CC1CCC1	ZINC001338010879	921336780	/nfs/dbraw/zinc/33/67/80/921336780.db2.gz	GBYMAFUYUZHSSE-UHFFFAOYSA-N	-1	0	261.368	0.599	20	30		CCEDRM
Cc1cc(C#N)c(=O)[n-]c1C(=O)Nc1ccc[n+]([O-])c1	ZINC001301522535	907969440	/nfs/dbraw/zinc/96/94/40/907969440.db2.gz	WKKFDZFHVXGSGY-UHFFFAOYSA-N	-1	0	270.248	0.853	20	30		CCEDRM
C=C1CCC(CNC(=O)c2n[nH]c(=O)[n-]c2=O)CC1	ZINC001303406609	908078322	/nfs/dbraw/zinc/07/83/22/908078322.db2.gz	IWNACXADSXIYTB-UHFFFAOYSA-N	-1	0	264.285	0.759	20	30		CCEDRM
COC(=O)CCCO[N-]C(=O)Cc1noc(C)c1C#N	ZINC001304129162	908149227	/nfs/dbraw/zinc/14/92/27/908149227.db2.gz	FDQJDXKZSKQLCI-UHFFFAOYSA-N	-1	0	281.268	0.398	20	30		CCEDRM
C[C@@H]1CCC[C@@H]1NC(=O)CCn1cc(C#N)c(=O)[n-]c1=O	ZINC001417639531	921484419	/nfs/dbraw/zinc/48/44/19/921484419.db2.gz	DOZBSNGUFUJBMW-KOLCDFICSA-N	-1	0	290.323	0.515	20	30		CCEDRM
N#Cc1ccc(F)c(CNC(=O)CCc2nnn[n-]2)c1	ZINC001417651703	921496421	/nfs/dbraw/zinc/49/64/21/921496421.db2.gz	CLVWNVXYTVQPOU-UHFFFAOYSA-N	-1	0	274.259	0.459	20	30		CCEDRM
COC[C@@H](CCO)NC(=O)c1[n-]c(=O)c(C#N)cc1C	ZINC001417675293	921520357	/nfs/dbraw/zinc/52/03/57/921520357.db2.gz	CECFOEPUUAQAMP-SNVBAGLBSA-N	-1	0	279.296	0.095	20	30		CCEDRM
CC(=NNc1nnc(C)c(=O)[n-]1)c1cnn(C)c1C	ZINC001319900987	910340801	/nfs/dbraw/zinc/34/08/01/910340801.db2.gz	MNVPHMPLYJITOB-UHFFFAOYSA-N	-1	0	261.289	0.764	20	30		CCEDRM
C=C[C@](C)(CCOC)C(=O)NCc1nc(=O)o[n-]1	ZINC001320882532	910912465	/nfs/dbraw/zinc/91/24/65/910912465.db2.gz	VNHOAYBRXVXCLM-LLVKDONJSA-N	-1	0	255.274	0.208	20	30		CCEDRM
C=CC[C@H](NC(=O)CCCNC(=O)C1CC1)C(=O)[O-]	ZINC001321166393	911129117	/nfs/dbraw/zinc/12/91/17/911129117.db2.gz	DJMSGCREKLJNDM-JTQLQIEISA-N	-1	0	268.313	0.438	20	30		CCEDRM
N#CCCCS(=O)(=O)[N-]C(=O)CCc1ccncn1	ZINC001321906297	911554253	/nfs/dbraw/zinc/55/42/53/911554253.db2.gz	PQMTXQFITLWWPT-UHFFFAOYSA-N	-1	0	282.325	0.159	20	30		CCEDRM
C=C[C@H](C)O[N-]C(=O)C(=O)Nc1nc2c(s1)COCC2	ZINC001328727882	915389860	/nfs/dbraw/zinc/38/98/60/915389860.db2.gz	POBGMQHHXQJFQJ-ZETCQYMHSA-N	-1	0	297.336	0.777	20	30		CCEDRM
CC(C)(C#N)CS(=O)(=O)[N-]C(=O)C12CC(C1)C2	ZINC001329010357	915588958	/nfs/dbraw/zinc/58/89/58/915588958.db2.gz	CZITVQLVJRADLL-UHFFFAOYSA-N	-1	0	256.327	0.782	20	30		CCEDRM
C[C@@H](CN(C)C(=O)CCCCC#N)c1nnn[n-]1	ZINC001329053650	915627582	/nfs/dbraw/zinc/62/75/82/915627582.db2.gz	FLBLQUXWZBJQIP-VIFPVBQESA-N	-1	0	250.306	0.846	20	30		CCEDRM
C=CCn1c(-c2cc(=O)[nH][n-]2)nnc1N(CC)CC	ZINC001339709504	921803251	/nfs/dbraw/zinc/80/32/51/921803251.db2.gz	GVGNCODJDLAZAA-UHFFFAOYSA-N	-1	0	262.317	0.534	20	30		CCEDRM
C=CC[C@H](NC(=O)[C@@H](OCC)[C@@H]1CCOC1)C(=O)[O-]	ZINC001329655132	916102026	/nfs/dbraw/zinc/10/20/26/916102026.db2.gz	CHFOANQIGBHREI-VWYCJHECSA-N	-1	0	271.313	0.574	20	30		CCEDRM
C#CCO[C@@H](C)C(=O)[N-]S(=O)(=O)c1ccc(C)nc1	ZINC001330732493	916819863	/nfs/dbraw/zinc/81/98/63/916819863.db2.gz	OBTIDWVUXATBBF-JTQLQIEISA-N	-1	0	282.321	0.233	20	30		CCEDRM
C=CC[C@H](NC(=O)c1cnn(CCOCC)c1)C(=O)[O-]	ZINC001331339837	917275157	/nfs/dbraw/zinc/27/51/57/917275157.db2.gz	YYCXXSXXWLROEJ-NSHDSACASA-N	-1	0	281.312	0.679	20	30		CCEDRM
C#CC[C@@H](NC(=O)[C@@H](C)N(C)CC(F)(F)F)C(=O)[O-]	ZINC001332149980	917907288	/nfs/dbraw/zinc/90/72/88/917907288.db2.gz	QDCSQJDRIIMUGU-HTQZYQBOSA-N	-1	0	280.246	0.462	20	30		CCEDRM
C=CC[C@@H](CC)NC(=O)C(=O)N[C@H]1C[C@@H](C(=O)[O-])C1	ZINC001332150388	917908053	/nfs/dbraw/zinc/90/80/53/917908053.db2.gz	HQGPHBOPCPIFEP-BBBLOLIVSA-N	-1	0	268.313	0.437	20	30		CCEDRM
C=CC1(S(=O)(=O)[N-]C(=O)c2cnn3ccncc23)CC1	ZINC001332235147	917976813	/nfs/dbraw/zinc/97/68/13/917976813.db2.gz	ZGUILPAZCSRWIE-UHFFFAOYSA-N	-1	0	292.320	0.508	20	30		CCEDRM
N#C[C@@]1(C(=O)N2CCC(C(=O)[O-])CC2)CCCOC1	ZINC001332798294	918442703	/nfs/dbraw/zinc/44/27/03/918442703.db2.gz	SPEXVUFZPLCPQT-ZDUSSCGKSA-N	-1	0	266.297	0.630	20	30		CCEDRM
C#CCN(CC#C)c1nnc(-c2nc(Cl)n[nH]2)n1CC	ZINC001340049964	921934244	/nfs/dbraw/zinc/93/42/44/921934244.db2.gz	VZPATDLJZXLAGG-UHFFFAOYSA-N	-1	0	289.730	0.809	20	30		CCEDRM
CO[C@@H]1COCC[C@H]1CC(=O)Nc1nc(C#N)c(C#N)[n-]1	ZINC001418237855	921953813	/nfs/dbraw/zinc/95/38/13/921953813.db2.gz	OAJOJAOADNKIBZ-GZMMTYOYSA-N	-1	0	289.295	0.533	20	30		CCEDRM
Cc1ccc(C#N)cc1C(=O)N1CCOC[C@H]1c1nnn[n-]1	ZINC001418863213	922458922	/nfs/dbraw/zinc/45/89/22/922458922.db2.gz	KALAFTYUTUBBIL-LBPRGKRZSA-N	-1	0	298.306	0.594	20	30		CCEDRM
Cn1ncc2cc(C([O-])=C(C#N)C(=O)NC3CC3)cnc21	ZINC001341785734	922673417	/nfs/dbraw/zinc/67/34/17/922673417.db2.gz	MLNJJCXHKNENGI-LLVKDONJSA-N	-1	0	283.291	0.569	20	30		CCEDRM
CNC(=O)C(C#N)=C([O-])c1cnn(C2CCOCC2)c1C	ZINC001341905339	922716333	/nfs/dbraw/zinc/71/63/33/922716333.db2.gz	ZDWZZJUKMGLBKH-LLVKDONJSA-N	-1	0	290.323	0.612	20	30		CCEDRM
N#CCCCCCC(=O)[N-]S(=O)(=O)C[C@@H]1CCOC1	ZINC001342090582	922795817	/nfs/dbraw/zinc/79/58/17/922795817.db2.gz	WJCKGHVHSXTAKL-LLVKDONJSA-N	-1	0	288.369	0.943	20	30		CCEDRM
Cn1c(C#N)ccc1C([O-])=C(C#N)C(=O)NC1CC1	ZINC001342721767	923066166	/nfs/dbraw/zinc/06/61/66/923066166.db2.gz	IFPGUESBUPTVTD-SNVBAGLBSA-N	-1	0	256.265	0.498	20	30		CCEDRM
C=C[C@](C)(CCOC)C(=O)[N-]S(=O)(=O)C(F)F	ZINC001343271547	923253513	/nfs/dbraw/zinc/25/35/13/923253513.db2.gz	ALRFTLOCLXACCV-SECBINFHSA-N	-1	0	271.285	0.884	20	30		CCEDRM
C[S@@](=O)c1ccc(C=Nn2c(=O)[n-][nH]c2=O)cc1	ZINC001343847314	923481302	/nfs/dbraw/zinc/48/13/02/923481302.db2.gz	XTXAHBPJUHNSIW-GOSISDBHSA-N	-1	0	266.282	0.309	20	30		CCEDRM
CNC(=O)C(C#N)=C([O-])c1ccc([S@@](C)=O)cc1	ZINC001343982876	923521930	/nfs/dbraw/zinc/52/19/30/923521930.db2.gz	MPKINZUXOULKOT-XTZNXHDOSA-N	-1	0	264.306	0.492	20	30		CCEDRM
CNC(=O)C(C#N)=C([O-])c1nnn(Cc2ccncc2)c1C	ZINC001346087503	924068717	/nfs/dbraw/zinc/06/87/17/924068717.db2.gz	HOFHZLADXAXLDS-NSHDSACASA-N	-1	0	298.306	0.098	20	30		CCEDRM
C=C(Cl)C[C@H](NC(=O)c1n[nH]c(=O)[n-]1)C(=O)OCC	ZINC001421002295	924088016	/nfs/dbraw/zinc/08/80/16/924088016.db2.gz	RCADNCRSMMEBGF-LURJTMIESA-N	-1	0	288.691	0.314	20	30		CCEDRM
C=C[C@@H](C)O[N-]C(=O)C(=O)Nc1ncncc1OC	ZINC001346208897	924113474	/nfs/dbraw/zinc/11/34/74/924113474.db2.gz	QENATHGINJDYEL-SSDOTTSWSA-N	-1	0	266.257	0.046	20	30		CCEDRM
CC(C)NC(=O)C(C#N)=C([O-])c1ccc(C#N)n1C	ZINC001346247292	924131755	/nfs/dbraw/zinc/13/17/55/924131755.db2.gz	GDSJVBGGNAECAR-SNVBAGLBSA-N	-1	0	258.281	0.744	20	30		CCEDRM
Cn1c(=O)[n-]c(NCCC(C)(F)F)c(C#N)c1=O	ZINC001348195998	924614310	/nfs/dbraw/zinc/61/43/10/924614310.db2.gz	RQAAGUFISXUZMQ-UHFFFAOYSA-N	-1	0	258.228	0.402	20	30		CCEDRM
CSc1[n-]c(=O)c(C(=O)NC/C=C\CO)cc1C#N	ZINC001351065033	925355258	/nfs/dbraw/zinc/35/52/58/925355258.db2.gz	XXTDWHFTPKKWSU-IHWYPQMZSA-N	-1	0	279.321	0.659	20	30		CCEDRM
CNC(=O)C(C#N)=C([O-])c1sc(COC)nc1C	ZINC001356042087	926338283	/nfs/dbraw/zinc/33/82/83/926338283.db2.gz	JFYIPBJBGZRAPU-SSDOTTSWSA-N	-1	0	267.310	0.666	20	30		CCEDRM
CNC(=O)C(C#N)=C([O-])c1ccc(OC)nc1Cl	ZINC001356318418	926369058	/nfs/dbraw/zinc/36/90/58/926369058.db2.gz	UHDVLLICJHFQCF-ZETCQYMHSA-N	-1	0	267.672	0.812	20	30		CCEDRM
C=CC[C@H](NC(=O)CCCCCNC(C)=O)C(=O)[O-]	ZINC000150014095	926945321	/nfs/dbraw/zinc/94/53/21/926945321.db2.gz	RJKSXSQZJVAINO-NSHDSACASA-N	-1	0	270.329	0.828	20	30		CCEDRM
C=CC[C@H](NC(=O)CNC(=O)c1cccs1)C(=O)[O-]	ZINC000150043543	926947224	/nfs/dbraw/zinc/94/72/24/926947224.db2.gz	ICMSRYLJTAWTMM-QMMMGPOBSA-N	-1	0	282.321	0.623	20	30		CCEDRM
C=CC[C@@H](NC(=O)c1cc(C)nn1CC)C(=O)[O-]	ZINC000150322311	926949552	/nfs/dbraw/zinc/94/95/52/926949552.db2.gz	MHXKLHFZVMPJAK-SECBINFHSA-N	-1	0	251.286	0.971	20	30		CCEDRM
CSc1[n-]c(=O)c(C(=O)NC2(C(N)=O)CC2)cc1C#N	ZINC001361383998	927015392	/nfs/dbraw/zinc/01/53/92/927015392.db2.gz	HOYTVQARXNUKOV-UHFFFAOYSA-N	-1	0	292.320	0.128	20	30		CCEDRM
N#Cc1cn(CCC(=O)Nc2ccccc2)c(=O)[n-]c1=O	ZINC001361597772	927182491	/nfs/dbraw/zinc/18/24/91/927182491.db2.gz	CGQSQKRXURKPCV-UHFFFAOYSA-N	-1	0	284.275	0.849	20	30		CCEDRM
C[C@@H](CNC(=O)CCn1cc(C#N)c(=O)[n-]c1=O)C1CC1	ZINC001361857087	927393013	/nfs/dbraw/zinc/39/30/13/927393013.db2.gz	VHIGKONLNAIYSR-VIFPVBQESA-N	-1	0	290.323	0.373	20	30		CCEDRM
Cc1cc(C#N)cc(C)c1CC(=O)NCc1nnn[n-]1	ZINC001362057668	927568086	/nfs/dbraw/zinc/56/80/86/927568086.db2.gz	FSPKNUKYVTZRQM-UHFFFAOYSA-N	-1	0	270.296	0.547	20	30		CCEDRM
CCC1(NC(=O)CCn2cc(C#N)c(=O)[n-]c2=O)CCC1	ZINC001362428750	928005553	/nfs/dbraw/zinc/00/55/53/928005553.db2.gz	VQONGEBYMNLSJY-UHFFFAOYSA-N	-1	0	290.323	0.660	20	30		CCEDRM
Cc1cc(C#N)c(=O)[n-]c1C(=O)N1CCOCC12CC2	ZINC001362442781	928026788	/nfs/dbraw/zinc/02/67/88/928026788.db2.gz	IKYHANBZAKNWNY-UHFFFAOYSA-N	-1	0	273.292	0.972	20	30		CCEDRM
Cc1cc(C#N)c(=O)[n-]c1C(=O)N1CN(C)C(=O)[C@H]1C	ZINC001362909104	928640973	/nfs/dbraw/zinc/64/09/73/928640973.db2.gz	FTOFBDHAFHOREM-MRVPVSSYSA-N	-1	0	274.280	0.228	20	30		CCEDRM
N#Cc1cc(NC(=O)NCc2n[nH]c(=O)[n-]2)c(F)cc1F	ZINC001426140967	928772414	/nfs/dbraw/zinc/77/24/14/928772414.db2.gz	AQMMWVXIGUQYRG-UHFFFAOYSA-N	-1	0	294.221	0.982	20	30		CCEDRM
Cc1cc(C#N)c(=O)[n-]c1C(=O)N1CCO[C@@H]([C@@H](C)O)C1	ZINC001363028898	928778845	/nfs/dbraw/zinc/77/88/45/928778845.db2.gz	JOHLIYNUAKOELV-MWLCHTKSSA-N	-1	0	291.307	0.189	20	30		CCEDRM
Cc1ccccc1C(=O)NCCn1cc(C#N)c(=O)[n-]c1=O	ZINC001363130785	928901662	/nfs/dbraw/zinc/90/16/62/928901662.db2.gz	ZIENARCQACWDRU-UHFFFAOYSA-N	-1	0	298.302	0.559	20	30		CCEDRM
C[C@@]1(C(=O)Nc2nc(C#N)c(C#N)[n-]2)CCC(=O)NC1	ZINC001363465598	929268216	/nfs/dbraw/zinc/26/82/16/929268216.db2.gz	JIGGSSILQDIQQH-GFCCVEGCSA-N	-1	0	272.268	0.008	20	30		CCEDRM
Cc1cc(C#N)c(=O)[n-]c1C(=O)N1CC[C@H](O)C(F)(F)C1	ZINC001363478616	929282917	/nfs/dbraw/zinc/28/29/17/929282917.db2.gz	BHFKNSUJELZWFE-VIFPVBQESA-N	-1	0	297.261	0.809	20	30		CCEDRM
N#Cc1cn(CCNC(=O)C2=CCCC2)c(=O)[n-]c1=O	ZINC001363483676	929287662	/nfs/dbraw/zinc/28/76/62/929287662.db2.gz	ODXHKFPRXSVGBX-UHFFFAOYSA-N	-1	0	274.280	0.047	20	30		CCEDRM
Cc1cc(=O)[nH]c(CNC(=O)c2[n-]c(=O)c(C#N)cc2C)n1	ZINC001363771026	929561827	/nfs/dbraw/zinc/56/18/27/929561827.db2.gz	HGZJQUOMSDLMDI-UHFFFAOYSA-N	-1	0	299.290	0.701	20	30		CCEDRM
CS(=O)(=O)N1CC(C(=O)Nc2cc(C#N)ccc2[O-])C1	ZINC001447066045	930557659	/nfs/dbraw/zinc/55/76/59/930557659.db2.gz	VSRJGEKPOCQFME-UHFFFAOYSA-N	-1	0	295.320	0.094	20	30		CCEDRM
C=CCO[N-]C(=O)[C@@H](NC(=O)C1CCCC1)[C@@H](C)O	ZINC001449651010	931174812	/nfs/dbraw/zinc/17/48/12/931174812.db2.gz	BZMPPHVPVVZHIN-KOLCDFICSA-N	-1	0	270.329	0.276	20	30		CCEDRM
COC[C@@]1(C)CCN(C(=O)[C@@](C)(C#N)CC(=O)[O-])C1	ZINC001610994584	970838132	/nfs/dbraw/zinc/83/81/32/970838132.db2.gz	JNCJHTAHZASFKX-QWHCGFSZSA-N	-1	0	268.313	0.876	20	30		CCEDRM
N#Cc1c(F)cccc1C(=O)N1CCO[C@@H](C(=O)[O-])C1	ZINC001601082559	970928063	/nfs/dbraw/zinc/92/80/63/970928063.db2.gz	MWDWGGHFFBMKAR-LLVKDONJSA-N	-1	0	278.239	0.623	20	30		CCEDRM
C#CC(=O)N[C@H]1CCN([C@@H](C(=O)[O-])c2ccccc2)C1=O	ZINC001602671641	971234292	/nfs/dbraw/zinc/23/42/92/971234292.db2.gz	DUWSZNMQYWQCFP-WCQYABFASA-N	-1	0	286.287	0.163	20	30		CCEDRM
C#CCN(CC(=O)[O-])C(=O)[C@@H](C)OCCC(C)C	ZINC001602678761	971257130	/nfs/dbraw/zinc/25/71/30/971257130.db2.gz	FFPKIPJSUQFOLM-LLVKDONJSA-N	-1	0	255.314	0.984	20	30		CCEDRM
C#CCN(CC(=O)[O-])C(=O)COCc1ccc(OC)cc1	ZINC001602682199	971265425	/nfs/dbraw/zinc/26/54/25/971265425.db2.gz	IHBKWTVDWHIYRO-UHFFFAOYSA-N	-1	0	291.303	0.758	20	30		CCEDRM
C#CCN(CC(=O)[O-])C(=O)N[C@H]1CCO[C@@H](C2CC2)C1	ZINC001602684139	971278854	/nfs/dbraw/zinc/27/88/54/971278854.db2.gz	RIHJPGKHRMIZFI-NWDGAFQWSA-N	-1	0	280.324	0.673	20	30		CCEDRM
C#CCN(CC(=O)[O-])C(=O)c1cc2nc[nH]c2cc1F	ZINC001602691612	971296377	/nfs/dbraw/zinc/29/63/77/971296377.db2.gz	PCARZDGBNGZPNU-UHFFFAOYSA-N	-1	0	275.239	0.862	20	30		CCEDRM
C#CCN(CC(=O)[O-])[C@H]1CCN(c2ccccc2F)C1=O	ZINC001602695969	971314148	/nfs/dbraw/zinc/31/41/48/971314148.db2.gz	ZESMYZBNLRZORN-ZDUSSCGKSA-N	-1	0	290.294	0.951	20	30		CCEDRM
C#CCN(CC(=O)[O-])c1nnc(-c2cnn(C)c2)n1CC	ZINC001602699150	971316104	/nfs/dbraw/zinc/31/61/04/971316104.db2.gz	KTFMUSJBHTVYGT-UHFFFAOYSA-N	-1	0	288.311	0.223	20	30		CCEDRM
C#CCN(CC(=O)[O-])c1nnc([C@H](OC)C2CC2)n1CC	ZINC001602701167	971327968	/nfs/dbraw/zinc/32/79/68/971327968.db2.gz	ZOLXWMDKKJMIRW-GFCCVEGCSA-N	-1	0	292.339	0.920	20	30		CCEDRM
C#CCN(CC(=O)[O-])c1nnnn1CC[C@H]1CCCCO1	ZINC001602701111	971326088	/nfs/dbraw/zinc/32/60/88/971326088.db2.gz	WSDGCGJIKMCYJS-LLVKDONJSA-N	-1	0	293.327	0.157	20	30		CCEDRM
C#CCSCCNC(=O)[C@H]1CO[C@@H](CCC(=O)[O-])C1	ZINC001602704759	971337401	/nfs/dbraw/zinc/33/74/01/971337401.db2.gz	RSNOPVIWUPGCRJ-MNOVXSKESA-N	-1	0	285.365	0.739	20	30		CCEDRM
C#Cc1ccc(NC(=O)C(=O)N[C@@H](C)C(=O)[O-])c(Cl)c1	ZINC001602704837	971338034	/nfs/dbraw/zinc/33/80/34/971338034.db2.gz	WWIUBPZDOPVIBH-ZETCQYMHSA-N	-1	0	294.694	0.849	20	30		CCEDRM
C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)[C@@]1(C(=O)[O-])CCCO1	ZINC001602707443	971344773	/nfs/dbraw/zinc/34/47/73/971344773.db2.gz	VVNYNFHLCUAIEE-UHIISALHSA-N	-1	0	283.324	0.718	20	30		CCEDRM
C=C(C)CNC(=O)[C@H]1CCCN(CC(=O)[O-])C1=O	ZINC001602709428	971346002	/nfs/dbraw/zinc/34/60/02/971346002.db2.gz	ACANZPNOSZQYJS-SECBINFHSA-N	-1	0	254.286	0.002	20	30		CCEDRM
C=C(C)CCNC(=O)[C@@H]1CCCN(CC(=O)[O-])C1=O	ZINC001602710237	971350126	/nfs/dbraw/zinc/35/01/26/971350126.db2.gz	RVEGIZKXRIUHKH-JTQLQIEISA-N	-1	0	268.313	0.392	20	30		CCEDRM
C=C[C@@H](CC)CC(=O)Nc1ncn(CC(=O)[O-])n1	ZINC001602717237	971365234	/nfs/dbraw/zinc/36/52/34/971365234.db2.gz	FFCUXVYHLQSJAD-QMMMGPOBSA-N	-1	0	252.274	0.904	20	30		CCEDRM
C=CCN(CCC#N)C(=O)[C@@H]1CCCN(CC(=O)[O-])C1=O	ZINC001602722687	971388088	/nfs/dbraw/zinc/38/80/88/971388088.db2.gz	GMWUHEYPTLOYTR-NSHDSACASA-N	-1	0	293.323	0.238	20	30		CCEDRM
C=CCN(CCc1ccco1)[C@@H]1CCN(CC(=O)[O-])C1=O	ZINC001602722814	971389856	/nfs/dbraw/zinc/38/98/56/971389856.db2.gz	RXDQPXVOYJDMSD-CYBMUJFWSA-N	-1	0	292.335	0.996	20	30		CCEDRM
C=CCNC(=O)COC(=O)C1(C(=O)[O-])CC=CC1	ZINC001602722968	971392003	/nfs/dbraw/zinc/39/20/03/971392003.db2.gz	CZNYQPIICQOJTA-UHFFFAOYSA-N	-1	0	253.254	0.253	20	30		CCEDRM
C=CCNC(=O)c1ccccc1NC(=O)[C@H](OC)C(=O)[O-]	ZINC001602723155	971394450	/nfs/dbraw/zinc/39/44/50/971394450.db2.gz	PUFGKUYOGKBXJL-NSHDSACASA-N	-1	0	292.291	0.641	20	30		CCEDRM
C=CCO[C@H]1CCN(C(=O)Nc2ccn(CC(=O)[O-])n2)C1	ZINC001602723282	971395178	/nfs/dbraw/zinc/39/51/78/971395178.db2.gz	ZOAZNNGRSIHOLT-JTQLQIEISA-N	-1	0	294.311	0.777	20	30		CCEDRM
C=CCOc1ccc(CNC(=O)[C@@H](OC)C(=O)[O-])cc1	ZINC001602728795	971396354	/nfs/dbraw/zinc/39/63/54/971396354.db2.gz	GDYKWJGFHIIRCW-GFCCVEGCSA-N	-1	0	279.292	0.967	20	30		CCEDRM
CC#CCCOC(=O)c1cccn(CC(=O)[O-])c1=O	ZINC001602734909	971413869	/nfs/dbraw/zinc/41/38/69/971413869.db2.gz	BOZMPMABFJECLH-UHFFFAOYSA-N	-1	0	263.249	0.503	20	30		CCEDRM
C=CCn1cc(CN2CCC(C(=O)[O-])CC2)nn1	ZINC001602731226	971413888	/nfs/dbraw/zinc/41/38/88/971413888.db2.gz	ZPLZARKQLRHGRD-UHFFFAOYSA-N	-1	0	250.302	0.761	20	30		CCEDRM
C[C@@H](SCC(=O)N(CCC#N)CCC#N)C(=O)[O-]	ZINC000037405416	948828265	/nfs/dbraw/zinc/82/82/65/948828265.db2.gz	KFQCVVMKKMAUTK-SECBINFHSA-N	-1	0	269.326	0.849	20	30		CCEDRM
C[C@@](C#N)(CC(=O)[O-])C(=O)N[C@@H]1Cc2cccc(O)c2C1	ZINC001602780540	971519186	/nfs/dbraw/zinc/51/91/86/971519186.db2.gz	ISLSXRKZBYSSBE-BMIGLBTASA-N	-1	0	288.303	0.980	20	30		CCEDRM
C[C@](C#N)(CC(=O)[O-])C(=O)NCCO[C@@H]1CCCCO1	ZINC001602781390	971523208	/nfs/dbraw/zinc/52/32/08/971523208.db2.gz	YTSSKUDDKQDZDT-DGCLKSJQSA-N	-1	0	284.312	0.650	20	30		CCEDRM
C[C@](C#N)(CC(=O)[O-])C(=O)NCC[C@H](O)C1CC1	ZINC001602781419	971524652	/nfs/dbraw/zinc/52/46/52/971524652.db2.gz	ZYBAKOGDQUCOGI-JOYOIKCWSA-N	-1	0	254.286	0.268	20	30		CCEDRM
C#CCN(CC(=O)[O-])C(=O)[C@H]1COc2ccccc2C1	ZINC000092477580	949147185	/nfs/dbraw/zinc/14/71/85/949147185.db2.gz	IERXWOAFTSDGOZ-GFCCVEGCSA-N	-1	0	273.288	0.784	20	30		CCEDRM
C#Cc1cccc(NC(=O)NCCOCC(=O)[O-])c1	ZINC000093229194	949169882	/nfs/dbraw/zinc/16/98/82/949169882.db2.gz	FNBZZVDKSVLLBB-UHFFFAOYSA-N	-1	0	262.265	0.891	20	30		CCEDRM
N#CCCN1CCN(C(=O)CCCCC(=O)[O-])CC1	ZINC000134822099	949331882	/nfs/dbraw/zinc/33/18/82/949331882.db2.gz	PDLPWVHBGOOEOU-UHFFFAOYSA-N	-1	0	267.329	0.689	20	30		CCEDRM
N#Cc1ccc(S(=O)(=O)NC2(CC(=O)[O-])CCC2)cn1	ZINC000228698634	949636148	/nfs/dbraw/zinc/63/61/48/949636148.db2.gz	OSYMTONFQIPGMG-UHFFFAOYSA-N	-1	0	295.320	0.629	20	30		CCEDRM
CCN(C[C@H](C)C#N)C(=O)[C@@H]1CC(C(=O)[O-])=NO1	ZINC000230758478	949707028	/nfs/dbraw/zinc/70/70/28/949707028.db2.gz	YITUVIDIFGHPRZ-APPZFPTMSA-N	-1	0	253.258	0.224	20	30		CCEDRM
N#C[C@@H]1CN(CC2(O)CCC(C(=O)[O-])CC2)CCO1	ZINC000236427736	949900111	/nfs/dbraw/zinc/90/01/11/949900111.db2.gz	GYOZOZAJTYCKPX-QWKFWESOSA-N	-1	0	268.313	0.217	20	30		CCEDRM
N#Cc1cc(N2CCOC[C@@H]2C(=O)[O-])c([N+](=O)[O-])s1	ZINC000407113442	953391236	/nfs/dbraw/zinc/39/12/36/953391236.db2.gz	FXYDEHPZAKAQOW-MRVPVSSYSA-N	-1	0	283.265	0.818	20	30		CCEDRM
C[C@H](C(=O)N1CCC[C@@H](C)[C@H]1C(=O)[O-])n1cnc(C#N)n1	ZINC001589320449	953862425	/nfs/dbraw/zinc/86/24/25/953862425.db2.gz	LAOGNAVFCZNKQE-KKZNHRDASA-N	-1	0	291.311	0.422	20	30		CCEDRM
O=C([O-])c1c[nH]nc1NC(=O)c1cccc(C#CCO)c1	ZINC001594818827	953891368	/nfs/dbraw/zinc/89/13/68/953891368.db2.gz	VSOGTTKFHURTDX-UHFFFAOYSA-N	-1	0	285.259	0.704	20	30		CCEDRM
O=C([O-])[C@@H](C(=O)N[C@@H]1CCCN(O)C1=O)C1CCCC1	ZINC001594832699	953989497	/nfs/dbraw/zinc/98/94/97/953989497.db2.gz	KEPDVGQGNUYWOQ-NXEZZACHSA-N	-1	0	284.312	0.374	20	30		CCEDRM
CC[C@@H](CC#N)NC(=O)[C@@H]1CCCN(CC(=O)[O-])C1=O	ZINC001589464444	954889643	/nfs/dbraw/zinc/88/96/43/954889643.db2.gz	TYCHILOUUOOQOJ-UWVGGRQHSA-N	-1	0	281.312	0.118	20	30		CCEDRM
COC(=O)C1=CC[C@H](NC(=O)[C@](C)(C#N)CC(=O)[O-])C1	ZINC001593816529	955005434	/nfs/dbraw/zinc/00/54/34/955005434.db2.gz	QCPXXQXATQIZDN-ZANVPECISA-N	-1	0	280.280	0.369	20	30		CCEDRM
C=C(C)CCNS(=O)(=O)c1cnn(CC(=O)[O-])c1	ZINC000386737154	972076739	/nfs/dbraw/zinc/07/67/39/972076739.db2.gz	CMEBLOLGNACQJP-UHFFFAOYSA-N	-1	0	273.314	0.212	20	30		CCEDRM
Cc1nonc1COC(=O)[C@](C)(C#N)CC(=O)[O-]	ZINC001594503884	955349415	/nfs/dbraw/zinc/34/94/15/955349415.db2.gz	XOTRXGXRRAQVPT-JTQLQIEISA-N	-1	0	253.214	0.426	20	30		CCEDRM
C[C@H](CCCO)CNC(=O)[C@@](C)(C#N)CC(=O)[O-]	ZINC001589014021	955413747	/nfs/dbraw/zinc/41/37/47/955413747.db2.gz	IEPJQIKZXINDSR-BXKDBHETSA-N	-1	0	256.302	0.516	20	30		CCEDRM
Cn1c([C@H]2C[C@H]2C#N)nnc1N1CCC[C@@H](C(=O)[O-])C1	ZINC001594518349	955439413	/nfs/dbraw/zinc/43/94/13/955439413.db2.gz	VYFIJSOHSJQKSF-UTLUCORTSA-N	-1	0	275.312	0.743	20	30		CCEDRM
Cn1cncc1CCNC(=O)[C@](C)(C#N)CC(=O)[O-]	ZINC001594558473	955788056	/nfs/dbraw/zinc/78/80/56/955788056.db2.gz	JQSJOBFNJYIUFG-LBPRGKRZSA-N	-1	0	264.285	0.083	20	30		CCEDRM
N#CC1(COC(=O)c2ccc(C(=O)[O-])nc2)COC1	ZINC001594601583	956136276	/nfs/dbraw/zinc/13/62/76/956136276.db2.gz	DWGNPESGLDOEJV-UHFFFAOYSA-N	-1	0	262.221	0.477	20	30		CCEDRM
N#CC1(CNC(=O)[C@H]2CC[C@@H](C(=O)[O-])C2)CCOCC1	ZINC001594603702	956157261	/nfs/dbraw/zinc/15/72/61/956157261.db2.gz	IUWKNNJXPIXIKI-WDEREUQCSA-N	-1	0	280.324	0.924	20	30		CCEDRM
N#CC1(CCCON2C[C@H](C(=O)[O-])CC2=O)CCOCC1	ZINC001594604629	956164176	/nfs/dbraw/zinc/16/41/76/956164176.db2.gz	ZLRYXFUTGKURIJ-LLVKDONJSA-N	-1	0	296.323	0.952	20	30		CCEDRM
N#CCC1(O)CN(CCOc2ccccc2C(=O)[O-])C1	ZINC001594606650	956186099	/nfs/dbraw/zinc/18/60/99/956186099.db2.gz	YREZRUITDBSSJS-UHFFFAOYSA-N	-1	0	276.292	0.724	20	30		CCEDRM
N#CCCNC(=O)COC(=O)[C@H](C(=O)[O-])C1CCCC1	ZINC001594610411	956202441	/nfs/dbraw/zinc/20/24/41/956202441.db2.gz	RADDEUASZDBCTO-NSHDSACASA-N	-1	0	282.296	0.450	20	30		CCEDRM
N#CC[C@@H]1CC[C@H](NC(=O)N2CCO[C@@H](C(=O)[O-])C2)C1	ZINC001594610875	956207771	/nfs/dbraw/zinc/20/77/71/956207771.db2.gz	BHIPCTMFHWVYRL-GARJFASQSA-N	-1	0	281.312	0.564	20	30		CCEDRM
N#Cc1ccc(COC(=O)c2cnc(C(=O)[O-])cn2)nc1	ZINC001594619836	956272107	/nfs/dbraw/zinc/27/21/07/956272107.db2.gz	RPAAPRNHXQWGIZ-UHFFFAOYSA-N	-1	0	284.231	0.798	20	30		CCEDRM
N#Cc1ccc(CNC(=O)COCC(=O)[O-])cc1Cl	ZINC001594620248	956274906	/nfs/dbraw/zinc/27/49/06/956274906.db2.gz	CTJHXQBGBDMULS-UHFFFAOYSA-N	-1	0	282.683	0.929	20	30		CCEDRM
C[C@@](O)(CNC(=O)c1ccc(Cl)c(C#N)c1)C(=O)[O-]	ZINC001589144360	956275931	/nfs/dbraw/zinc/27/59/31/956275931.db2.gz	ILNIMLNGQAOCDH-GFCCVEGCSA-N	-1	0	282.683	0.777	20	30		CCEDRM
C[C@](O)(CNC(=O)c1ccc(C#N)cc1F)C(=O)[O-]	ZINC001589144561	956279651	/nfs/dbraw/zinc/27/96/51/956279651.db2.gz	OPZPDRRGRBPODP-LBPRGKRZSA-N	-1	0	266.228	0.263	20	30		CCEDRM
N#Cc1cccc(C(=O)COC(=O)COCC(=O)[O-])c1	ZINC001594625051	956306573	/nfs/dbraw/zinc/30/65/73/956306573.db2.gz	BQLDKORBUKFMMK-UHFFFAOYSA-N	-1	0	277.232	0.385	20	30		CCEDRM
N#Cc1cccc(CNc2cnn(CC(=O)[O-])c2)n1	ZINC001594628482	956331224	/nfs/dbraw/zinc/33/12/24/956331224.db2.gz	XDGPBLSYLDSYAB-UHFFFAOYSA-N	-1	0	257.253	0.846	20	30		CCEDRM
N#Cc1ccncc1C(=O)N1C[C@@H]2COC[C@]2(C(=O)[O-])C1	ZINC001594631371	956340216	/nfs/dbraw/zinc/34/02/16/956340216.db2.gz	CJDKRFMTSVHXID-QMTHXVAHSA-N	-1	0	287.275	0.126	20	30		CCEDRM
N#Cc1ccsc1C(=O)O[C@@H]1CCN(CC(=O)[O-])C1=O	ZINC001594631766	956345948	/nfs/dbraw/zinc/34/59/48/956345948.db2.gz	MMJPGCZSLBKLFC-MRVPVSSYSA-N	-1	0	294.288	0.462	20	30		CCEDRM
N#Cc1cn(CC(=O)[O-])c(=O)n(CCC2CCC2)c1=O	ZINC001594633794	956358909	/nfs/dbraw/zinc/35/89/09/956358909.db2.gz	XIYRKTYZNFJUSW-UHFFFAOYSA-N	-1	0	277.280	0.156	20	30		CCEDRM
C[C@H](OC(=O)C(C)(C)C(=O)[O-])C(=O)N(C)CCC#N	ZINC001589159455	956396118	/nfs/dbraw/zinc/39/61/18/956396118.db2.gz	UVUSYPKGRLPHQZ-QMMMGPOBSA-N	-1	0	270.285	0.401	20	30		CCEDRM
COC[C@@]1(C(=O)[O-])CCN(C(=O)C2(C#N)CCOCC2)C1	ZINC001593960002	956477429	/nfs/dbraw/zinc/47/74/29/956477429.db2.gz	INWGGDAOVHDHQA-CQSZACIVSA-N	-1	0	296.323	0.256	20	30		CCEDRM
C[C@]1(C#N)CCCN(CCS(=O)(=O)CC(=O)[O-])C1	ZINC001589182297	956535965	/nfs/dbraw/zinc/53/59/65/956535965.db2.gz	YVLNTTWOQCFGQJ-LLVKDONJSA-N	-1	0	274.342	0.111	20	30		CCEDRM
CC1(C)C[C@]1(C#N)NC(=O)c1cnc(C(=O)[O-])cn1	ZINC001589210854	956684027	/nfs/dbraw/zinc/68/40/27/956684027.db2.gz	CTRPWJURHQAQLK-GFCCVEGCSA-N	-1	0	260.253	0.597	20	30		CCEDRM
COC[C@]1(C(=O)[O-])CN(c2ccc(C#N)c(C)n2)CCO1	ZINC001593984208	956745093	/nfs/dbraw/zinc/74/50/93/956745093.db2.gz	GCEZGZVJHILRHL-AWEZNQCLSA-N	-1	0	291.307	0.568	20	30		CCEDRM
C=CCNS(=O)(=O)Cc1ccc(C(=O)[O-])cc1	ZINC000037465989	957303906	/nfs/dbraw/zinc/30/39/06/957303906.db2.gz	ORLNGEUYZOPJOI-UHFFFAOYSA-N	-1	0	255.295	0.990	20	30		CCEDRM
CC(C)(NS(=O)(=O)c1ccc(C#N)cc1)C(=O)[O-]	ZINC000040910822	957382064	/nfs/dbraw/zinc/38/20/64/957382064.db2.gz	CDCUGVVGYFFBBP-UHFFFAOYSA-N	-1	0	268.294	0.700	20	30		CCEDRM
C#C[C@H]1CCCCN1C(=O)C(=O)N1CCC[C@@H](C(=O)[O-])C1	ZINC001588385514	957971341	/nfs/dbraw/zinc/97/13/41/957971341.db2.gz	GLUSHMQDPTWCDV-NEPJUHHUSA-N	-1	0	292.335	0.324	20	30		CCEDRM
C#C[C@@H](C)N(C)C(=O)Nc1ccn(CC(=O)[O-])n1	ZINC001588388646	957998978	/nfs/dbraw/zinc/99/89/78/957998978.db2.gz	XHFZICDTXBDLKR-MRVPVSSYSA-N	-1	0	250.258	0.453	20	30		CCEDRM
C#CC[C@H](COC)NC(=O)[C@]1(C(=O)[O-])CC1(C)C	ZINC001588389079	958004531	/nfs/dbraw/zinc/00/45/31/958004531.db2.gz	LXGPHNMILNTERK-RNCFNFMXSA-N	-1	0	253.298	0.642	20	30		CCEDRM
C#CC[C@H](CCOC)NC(=O)C1(C(=O)[O-])CC=CC1	ZINC001588389408	958009074	/nfs/dbraw/zinc/00/90/74/958009074.db2.gz	UVHJPLNDDWAVCS-LLVKDONJSA-N	-1	0	265.309	0.952	20	30		CCEDRM
C#CCCN1CCN(C(=O)[C@H](C(=O)[O-])C2CC2)CC1	ZINC001588390871	958014930	/nfs/dbraw/zinc/01/49/30/958014930.db2.gz	PNXLIAOIVJPMIA-GFCCVEGCSA-N	-1	0	264.325	0.265	20	30		CCEDRM
C#CCCCC(=O)N1CC[C@](COC)(C(=O)[O-])C1	ZINC001588391123	958018366	/nfs/dbraw/zinc/01/83/66/958018366.db2.gz	AZBUWCUVLLIXKJ-ZDUSSCGKSA-N	-1	0	253.298	0.740	20	30		CCEDRM
C#CCC1(O)CCN(C(=O)[C@@]2(C(=O)[O-])CC2(C)C)CC1	ZINC001588391344	958022099	/nfs/dbraw/zinc/02/20/99/958022099.db2.gz	FZHJSSZLDNRIHM-OAHLLOKOSA-N	-1	0	279.336	0.864	20	30		CCEDRM
C#CCC[C@H](O)CNC(=O)c1cccc(OCC(=O)[O-])c1	ZINC001588391479	958024413	/nfs/dbraw/zinc/02/44/13/958024413.db2.gz	HVYVTCJGWSNURD-LBPRGKRZSA-N	-1	0	291.303	0.654	20	30		CCEDRM
C#CC[C@H](OC(=O)c1cn(CC(=O)[O-])nn1)C(C)C	ZINC001588392158	958030410	/nfs/dbraw/zinc/03/04/10/958030410.db2.gz	UKXDHVMMRYDULD-JTQLQIEISA-N	-1	0	265.269	0.567	20	30		CCEDRM
C#CCN(CC#N)C(=O)c1coc(/C=C\C(=O)[O-])c1	ZINC001588394951	958035935	/nfs/dbraw/zinc/03/59/35/958035935.db2.gz	HHFCAXGCQYWCAH-ARJAWSKDSA-N	-1	0	258.233	0.976	20	30		CCEDRM
C#CCN(CC(=O)[O-])C(=O)[C@H]1C[C@@]12C(=O)Nc1ccccc12	ZINC001588398629	958067522	/nfs/dbraw/zinc/06/75/22/958067522.db2.gz	AVZGBLFTMTVKDC-BZNIZROVSA-N	-1	0	298.298	0.443	20	30		CCEDRM
C#CCN(CC(=O)[O-])C(=O)CCCC(=O)NC(C)C	ZINC001588401813	958085451	/nfs/dbraw/zinc/08/54/51/958085451.db2.gz	DDOCYDRWWDCYSM-UHFFFAOYSA-N	-1	0	268.313	0.228	20	30		CCEDRM
C#CCN(CC(=O)[O-])C(=O)Cc1ccc(C#N)nc1	ZINC001588407534	958100931	/nfs/dbraw/zinc/10/09/31/958100931.db2.gz	PVEYVYISNVOGRY-UHFFFAOYSA-N	-1	0	257.249	0.042	20	30		CCEDRM
COc1cc(NC(=O)[C@](C)(C#N)CC(=O)[O-])[nH]n1	ZINC001594062411	958101477	/nfs/dbraw/zinc/10/14/77/958101477.db2.gz	YLYGPSLQWKHFGM-JTQLQIEISA-N	-1	0	252.230	0.361	20	30		CCEDRM
C[C@](O)(CNC(=O)c1ccccc1SCC#N)C(=O)[O-]	ZINC000090275238	958106688	/nfs/dbraw/zinc/10/66/88/958106688.db2.gz	QHVGBALAJBFTIW-ZDUSSCGKSA-N	-1	0	294.332	0.868	20	30		CCEDRM
C#CCN(CC(=O)[O-])C(=O)N[C@@H]1[C@@H]2CCCO[C@H]2C1(C)C	ZINC001588410056	958135711	/nfs/dbraw/zinc/13/57/11/958135711.db2.gz	OPOXXVJYJDIKFL-CYZMBNFOSA-N	-1	0	294.351	0.919	20	30		CCEDRM
C#CCN(CC(=O)[O-])C(=O)N[C@@H]1C[C@H]2OC(C)(C)O[C@H]2C1	ZINC001588411031	958144859	/nfs/dbraw/zinc/14/48/59/958144859.db2.gz	GBVOBKXNMACRLV-RTCCRHLQSA-N	-1	0	296.323	0.398	20	30		CCEDRM
N#CCc1ccc(S(=O)(=O)NCCC(=O)[O-])cc1	ZINC000092130602	958157655	/nfs/dbraw/zinc/15/76/55/958157655.db2.gz	CQOTYKFCIHGFMD-UHFFFAOYSA-N	-1	0	268.294	0.506	20	30		CCEDRM
C#CCN(CC(=O)[O-])Cc1ccc([S@](C)=O)cc1	ZINC001588423943	958209781	/nfs/dbraw/zinc/20/97/81/958209781.db2.gz	HVRIWTCUQFNNAL-SFHVURJKSA-N	-1	0	265.334	0.944	20	30		CCEDRM
C#CCN(CC(=O)[O-])c1nnc(-c2cccnc2)n1C	ZINC001588426255	958227385	/nfs/dbraw/zinc/22/73/85/958227385.db2.gz	CQRHGQHMBGJTOD-UHFFFAOYSA-N	-1	0	271.280	0.401	20	30		CCEDRM
C#CCN(CC(=O)[O-])c1nnnn1C[C@H]1CCO[C@@H](C)C1	ZINC001588426719	958231724	/nfs/dbraw/zinc/23/17/24/958231724.db2.gz	ABJNPSSIBFVBPG-QWRGUYRKSA-N	-1	0	293.327	0.012	20	30		CCEDRM
C#CCN(CC(=O)[O-])S(=O)(=O)c1cc(N)ccc1C	ZINC001588426700	958231831	/nfs/dbraw/zinc/23/18/31/958231831.db2.gz	ZBLHVKHFRUIKBB-UHFFFAOYSA-N	-1	0	282.321	0.286	20	30		CCEDRM
C#CCNC(=O)[C@H](C)OC(=O)C1(C(=O)[O-])CC=CC1	ZINC001588430107	958253534	/nfs/dbraw/zinc/25/35/34/958253534.db2.gz	HXAURSMVKSINHL-VIFPVBQESA-N	-1	0	265.265	0.089	20	30		CCEDRM
C#C[C@H]1CC[C@H](NC(=O)C(=O)NC[C@H](C)C(=O)[O-])CC1	ZINC001588433350	958295412	/nfs/dbraw/zinc/29/54/12/958295412.db2.gz	PCUUDEKCTSUMIO-DCAQKATOSA-N	-1	0	280.324	0.132	20	30		CCEDRM
C#Cc1ccc(S(=O)(=O)N2CC[C@@H](C(=O)[O-])C2)cc1	ZINC001588438904	958306730	/nfs/dbraw/zinc/30/67/30/958306730.db2.gz	IYTLHVPNLLSFOD-LLVKDONJSA-N	-1	0	279.317	0.763	20	30		CCEDRM
C=C(CC)C(=O)N(CCNC(C)=O)[C@H](C)C(=O)[O-]	ZINC001588444408	958359647	/nfs/dbraw/zinc/35/96/47/958359647.db2.gz	APNYBUBNFOKZLM-SECBINFHSA-N	-1	0	256.302	0.390	20	30		CCEDRM
C=C(CCC(=O)OC)C(=O)N(OC)[C@@H](C)C(=O)[O-]	ZINC001588444723	958366400	/nfs/dbraw/zinc/36/64/00/958366400.db2.gz	OZYKAPOEYPTUEV-QMMMGPOBSA-N	-1	0	259.258	0.359	20	30		CCEDRM
C=C(CC)CNC(=O)c1cccn(CC(=O)[O-])c1=O	ZINC001588444884	958369619	/nfs/dbraw/zinc/36/96/19/958369619.db2.gz	XGKQLGVRLLIREO-UHFFFAOYSA-N	-1	0	264.281	0.629	20	30		CCEDRM
C=CC[C@@H](CO)NC(=O)[C@@H](C(=O)[O-])C1CCCC1	ZINC001588453123	958431801	/nfs/dbraw/zinc/43/18/01/958431801.db2.gz	OAXQLGYHJXQWCR-QWRGUYRKSA-N	-1	0	255.314	0.931	20	30		CCEDRM
C#CCN(CC(=O)[O-])C(=O)CCCC(=O)NCCC	ZINC001573317477	958451195	/nfs/dbraw/zinc/45/11/95/958451195.db2.gz	BGBGDWYFEGAYQG-UHFFFAOYSA-N	-1	0	268.313	0.229	20	30		CCEDRM
C=CCC1(O)CN(Cc2cc(C(=O)[O-])nn2C)C1	ZINC001588458368	958460626	/nfs/dbraw/zinc/46/06/26/958460626.db2.gz	SYSQOJXKOCBIND-UHFFFAOYSA-N	-1	0	251.286	0.241	20	30		CCEDRM
C=CCC1(C(=O)O[C@H]2CCN(CC(=O)[O-])C2=O)CCC1	ZINC001588458432	958461848	/nfs/dbraw/zinc/46/18/48/958461848.db2.gz	UVGHOBREOCMQIP-JTQLQIEISA-N	-1	0	281.308	0.962	20	30		CCEDRM
C=CC[C@H](OC(=O)c1cc(C(=O)[O-])nn1C)C(=O)OC	ZINC001588458445	958462201	/nfs/dbraw/zinc/46/22/01/958462201.db2.gz	VBNKRZPHHOQDOQ-VIFPVBQESA-N	-1	0	282.252	0.393	20	30		CCEDRM
C#C[C@@H](C)NS(=O)(=O)Cc1cccc(C(=O)[O-])c1	ZINC000122961332	958491642	/nfs/dbraw/zinc/49/16/42/958491642.db2.gz	NIJFVINGNFWYIA-SECBINFHSA-N	-1	0	267.306	0.826	20	30		CCEDRM
C=CCOC[C@H](NC1CC(C(=O)[O-])C1)C(=O)OC	ZINC001588464999	958495290	/nfs/dbraw/zinc/49/52/90/958495290.db2.gz	ATXZNYHFRFIUET-RTBKNWGFSA-N	-1	0	257.286	0.183	20	30		CCEDRM
C=CCOC[C@H](NC(=O)CCCC(=O)[O-])C(=O)OC	ZINC001588465096	958496859	/nfs/dbraw/zinc/49/68/59/958496859.db2.gz	IIPIWQOYNFDFOT-VIFPVBQESA-N	-1	0	273.285	0.102	20	30		CCEDRM
C=CCNC(=O)NC(=O)[C@@H](C)S[C@@H](C)C(=O)[O-]	ZINC001588465663	958507169	/nfs/dbraw/zinc/50/71/69/958507169.db2.gz	WGVQSLYZUVMTBZ-RQJHMYQMSA-N	-1	0	260.315	0.593	20	30		CCEDRM
C=CCn1c(CCOCC)nnc1N1CC[C@H](C(=O)[O-])C1	ZINC001588472065	958538817	/nfs/dbraw/zinc/53/88/17/958538817.db2.gz	JCEVSBUANMROKG-NSHDSACASA-N	-1	0	294.355	0.954	20	30		CCEDRM
C=CCn1c([C@H]2CCOC2)nnc1N1CC[C@H](C(=O)[O-])C1	ZINC001588473343	958549635	/nfs/dbraw/zinc/54/96/35/958549635.db2.gz	XZMRYOYPNUHMDZ-QWRGUYRKSA-N	-1	0	292.339	0.879	20	30		CCEDRM
CC(=O)NCCN(C(=O)CC(C)(C)C#N)[C@@H](C)C(=O)[O-]	ZINC001573348473	958553743	/nfs/dbraw/zinc/55/37/43/958553743.db2.gz	DVLXCXBJUBPQOF-VIFPVBQESA-N	-1	0	283.328	0.364	20	30		CCEDRM
C=C[C@H](CO)NC(=O)Nc1cc(C(=O)[O-])ccn1	ZINC001588478327	958563372	/nfs/dbraw/zinc/56/33/72/958563372.db2.gz	GJKYWCNOWBHBRW-MRVPVSSYSA-N	-1	0	251.242	0.448	20	30		CCEDRM
C=C[C@@H]1OCC[C@H]1C(=O)N1CC[C@@](COC)(C(=O)[O-])C1	ZINC001588478388	958565442	/nfs/dbraw/zinc/56/54/42/958565442.db2.gz	KNOMXDMNRMOHCF-UHIISALHSA-N	-1	0	283.324	0.527	20	30		CCEDRM
C[C@@](C#N)(CC(=O)[O-])C(=O)N1CCc2ncccc21	ZINC001573359768	958587088	/nfs/dbraw/zinc/58/70/88/958587088.db2.gz	HIGPOYRKSVAYBM-ZDUSSCGKSA-N	-1	0	259.265	0.975	20	30		CCEDRM
C[C@H](C#N)C(=O)Nc1nc2n(c1C(=O)[O-])CCOC2	ZINC001573362414	958598971	/nfs/dbraw/zinc/59/89/71/958598971.db2.gz	ARKXBBORYNHCRW-ZCFIWIBFSA-N	-1	0	264.241	0.210	20	30		CCEDRM
N#Cc1ccc(C(=O)N2CCOC[C@H]2CC(=O)[O-])cc1	ZINC000129407769	958702099	/nfs/dbraw/zinc/70/20/99/958702099.db2.gz	XTJOMNHELHQFEA-GFCCVEGCSA-N	-1	0	274.276	0.874	20	30		CCEDRM
COc1cncnc1NC(=O)[C@](C)(C#N)CC(=O)[O-]	ZINC001594155198	958832114	/nfs/dbraw/zinc/83/21/14/958832114.db2.gz	UDOCZVJSBJNVIT-NSHDSACASA-N	-1	0	264.241	0.428	20	30		CCEDRM
C[C@](C#N)(CC(=O)[O-])C(=O)NCc1cnn2ccccc12	ZINC001588541691	958965221	/nfs/dbraw/zinc/96/52/21/958965221.db2.gz	KNMCEHYDEVUCII-CQSZACIVSA-N	-1	0	286.291	0.955	20	30		CCEDRM
C[C@H](C#N)CNC(=O)N1C[C@H](C)C[C@H](C(=O)[O-])C1	ZINC001588542667	958971976	/nfs/dbraw/zinc/97/19/76/958971976.db2.gz	BODVXELJJLFNPP-BBBLOLIVSA-N	-1	0	253.302	0.898	20	30		CCEDRM
C[C@H](C#N)C(=O)N1C[C@H](C(=O)[O-])C[C@@H](c2cnn(C)c2)C1	ZINC001588543884	958984840	/nfs/dbraw/zinc/98/48/40/958984840.db2.gz	VDVJGBDEIKRHOE-GMTAPVOTSA-N	-1	0	290.323	0.596	20	30		CCEDRM
C#CC[C@H](NC(=O)Cc1ccc([N+](=O)[O-])cc1)C(=O)[O-]	ZINC000149612075	959019663	/nfs/dbraw/zinc/01/96/63/959019663.db2.gz	CUHCGXRJWNCLJH-NSHDSACASA-N	-1	0	276.248	0.730	20	30		CCEDRM
C[C@](C#N)(CC(=O)[O-])C(=O)NCCOC(=O)C1CC1	ZINC001588557708	959072102	/nfs/dbraw/zinc/07/21/02/959072102.db2.gz	KEVGQDBQIVYJNC-GFCCVEGCSA-N	-1	0	268.269	0.060	20	30		CCEDRM
C[C@H](C(=O)Nc1cncc(C(=O)[O-])c1)n1cnc(C#N)n1	ZINC001588559595	959091190	/nfs/dbraw/zinc/09/11/90/959091190.db2.gz	CVUKMAPLEWRLBP-SSDOTTSWSA-N	-1	0	286.251	0.443	20	30		CCEDRM
C#CC[C@H](NS(=O)(=O)c1cc(F)ccc1F)C(=O)[O-]	ZINC000161241810	959178410	/nfs/dbraw/zinc/17/84/10/959178410.db2.gz	LRIHJTOTOODYNG-VIFPVBQESA-N	-1	0	289.259	0.720	20	30		CCEDRM
C[C@H](C(=O)[O-])C(=O)NCc1ccc(C(=O)NO)cc1	ZINC001588573998	959205903	/nfs/dbraw/zinc/20/59/03/959205903.db2.gz	RMGPDULQKOYGSE-ZETCQYMHSA-N	-1	0	266.253	0.143	20	30		CCEDRM
C[C@H](CNC(=O)Nc1cc(CC#N)ccn1)C(=O)[O-]	ZINC001573550187	959232550	/nfs/dbraw/zinc/23/25/50/959232550.db2.gz	DNLIVJQGRWPYDE-MRVPVSSYSA-N	-1	0	262.269	0.990	20	30		CCEDRM
CC(C)[C@@H]([NH2+]Cc1cc(=O)n2[n-]cc(C#N)c2n1)C(=O)[O-]	ZINC001573558211	959259351	/nfs/dbraw/zinc/25/93/51/959259351.db2.gz	JHENSLAQRNCHMG-LLVKDONJSA-N	-1	0	289.295	0.505	20	30		CCEDRM
C[C@@H](C(=O)[O-])N(C1CC1)S(=O)(=O)CC1(CC#N)CC1	ZINC001588591326	959344277	/nfs/dbraw/zinc/34/42/77/959344277.db2.gz	NGUIJLJWYGSVIZ-VIFPVBQESA-N	-1	0	286.353	0.948	20	30		CCEDRM
C[C@@H]1C[C@@]1(C(=O)[O-])C(=O)NCCNc1ccc(C#N)cn1	ZINC001594226636	959432824	/nfs/dbraw/zinc/43/28/24/959432824.db2.gz	XCDCEEBXNAULOT-OTYXRUKQSA-N	-1	0	288.307	0.592	20	30		CCEDRM
CC(C)(C#N)NC(=O)[C@H]1CO[C@@H](CCC(=O)[O-])C1	ZINC001588607850	959496790	/nfs/dbraw/zinc/49/67/90/959496790.db2.gz	VXPOKSBTUAPIAJ-BDAKNGLRSA-N	-1	0	254.286	0.675	20	30		CCEDRM
C[C@@](O)(CNC(=O)Nc1ccc(OCC#N)cc1)C(=O)[O-]	ZINC001603256602	972441767	/nfs/dbraw/zinc/44/17/67/972441767.db2.gz	ABRRBCDYZSGHCT-CYBMUJFWSA-N	-1	0	293.279	0.546	20	30		CCEDRM
CC(C)(C)[C@H](C#N)NC(=O)c1cc(C(=O)[O-])n[nH]1	ZINC001588630884	959607259	/nfs/dbraw/zinc/60/72/59/959607259.db2.gz	MSKQERAGMPNJFJ-QMMMGPOBSA-N	-1	0	250.258	0.776	20	30		CCEDRM
Cc1nnc(Nc2cnn(CC(=O)[O-])c2)c(C#N)c1C	ZINC001594492985	959722710	/nfs/dbraw/zinc/72/27/10/959722710.db2.gz	OXYPLTJTVYKCJQ-UHFFFAOYSA-N	-1	0	272.268	0.990	20	30		CCEDRM
C[C@@H]1[C@H](CO)CCN1C(=O)[C@@](C)(C#N)CC(=O)[O-]	ZINC001573691304	959784737	/nfs/dbraw/zinc/78/47/37/959784737.db2.gz	VEVAEOMKHCOOSD-VDDIYKPWSA-N	-1	0	254.286	0.220	20	30		CCEDRM
C[C@@H](OC(=O)[C@](C)(C#N)CC(=O)[O-])C(=O)N1CCCCC1	ZINC001603268236	972464223	/nfs/dbraw/zinc/46/42/23/972464223.db2.gz	GPJCDAWNCRNAOQ-YGRLFVJLSA-N	-1	0	296.323	0.935	20	30		CCEDRM
C#CC[C@H](NS(=O)(=O)c1ccc(C#N)s1)C(=O)[O-]	ZINC000230326452	960143943	/nfs/dbraw/zinc/14/39/43/960143943.db2.gz	IJNLIXCHBYTPJR-QMMMGPOBSA-N	-1	0	284.318	0.375	20	30		CCEDRM
CN(C)c1ccc2c(c1)N(C)C(=O)C2=NNCCC(=O)[O-]	ZINC001604091049	972490405	/nfs/dbraw/zinc/49/04/05/972490405.db2.gz	QPWZPDWMLWDQKL-UHFFFAOYSA-N	-1	0	290.323	0.497	20	30		CCEDRM
N#CCOc1cccc(NC(=O)N2CC(O)(C(=O)[O-])C2)c1	ZINC001571041116	960576614	/nfs/dbraw/zinc/57/66/14/960576614.db2.gz	AORLPAZOSNAVJG-UHFFFAOYSA-N	-1	0	291.263	0.252	20	30		CCEDRM
CN(CC(=O)[O-])S(=O)(=O)c1cc([N+](=O)[O-])ccc1C#N	ZINC001604113828	972515659	/nfs/dbraw/zinc/51/56/59/972515659.db2.gz	HIKIQHGSUHNTCL-UHFFFAOYSA-N	-1	0	299.264	0.172	20	30		CCEDRM
Cc1nn(CC2(C(=O)[O-])CCOCC2)c(=O)c(C#N)c1C	ZINC001571041492	960587632	/nfs/dbraw/zinc/58/76/32/960587632.db2.gz	TVHVAODDPCRJPQ-UHFFFAOYSA-N	-1	0	291.307	0.613	20	30		CCEDRM
N#Cc1csc(CNC(=O)N2CC[C@H](NC(=O)[O-])C2)n1	ZINC001571054075	960702707	/nfs/dbraw/zinc/70/27/07/960702707.db2.gz	AABCECPTIPGNKD-ZETCQYMHSA-N	-1	0	295.324	0.566	20	30		CCEDRM
CCCOC(=O)CCNC(=O)[C@](C)(C#N)CC(=O)[O-]	ZINC001573860520	961168849	/nfs/dbraw/zinc/16/88/49/961168849.db2.gz	PVOBOLNYJLUWGV-LBPRGKRZSA-N	-1	0	270.285	0.450	20	30		CCEDRM
N#C[C@H]1CC[C@@H](NC(=O)N2C[C@H]3COC[C@@]3(C(=O)[O-])C2)C1	ZINC001574480098	961658307	/nfs/dbraw/zinc/65/83/07/961658307.db2.gz	WCPWJLLKDBJGKV-DYNIEEOBSA-N	-1	0	293.323	0.421	20	30		CCEDRM
N#Cc1n[nH]cc1NC(=O)c1ccc(OCC(=O)[O-])cc1	ZINC001574480292	961660051	/nfs/dbraw/zinc/66/00/51/961660051.db2.gz	ZPPBXCLCNUYHNN-UHFFFAOYSA-N	-1	0	286.247	0.997	20	30		CCEDRM
N#C[C@H]1CSCCN1C(=O)[C@H]1CC[C@H]1C(=O)[O-]	ZINC001574481082	961669521	/nfs/dbraw/zinc/66/95/21/961669521.db2.gz	ULBMIWHZCUWXKH-XHNCKOQMSA-N	-1	0	254.311	0.565	20	30		CCEDRM
N#Cc1ccc(NCC(=O)Nc2n[nH]cc2C(=O)[O-])nc1	ZINC001574488464	961694049	/nfs/dbraw/zinc/69/40/49/961694049.db2.gz	PKGSXKOQCXMKAW-UHFFFAOYSA-N	-1	0	286.251	0.425	20	30		CCEDRM
N#Cc1cccc(S(=O)(=O)NCC(=O)[O-])c1Cl	ZINC001574489233	961705233	/nfs/dbraw/zinc/70/52/33/961705233.db2.gz	IMXBVJUJOIHXLJ-UHFFFAOYSA-N	-1	0	274.685	0.575	20	30		CCEDRM
N#Cc1csc(CNCCOCCOCC(=O)[O-])n1	ZINC001574493656	961720401	/nfs/dbraw/zinc/72/04/01/961720401.db2.gz	OXQKOGVPMNHHFF-UHFFFAOYSA-N	-1	0	285.325	0.222	20	30		CCEDRM
CNC(=O)c1c(C)[nH]nc1NC(=O)[C@@](C)(C#N)CC(=O)[O-]	ZINC001574039035	962077851	/nfs/dbraw/zinc/07/78/51/962077851.db2.gz	MLUKWLJIWNOGJG-GFCCVEGCSA-N	-1	0	293.283	0.021	20	30		CCEDRM
COC(=O)CCN(CC#N)C(=O)c1ccc(C(=O)[O-])cn1	ZINC001574055400	962174811	/nfs/dbraw/zinc/17/48/11/962174811.db2.gz	MWQMJEBWQQNZGT-UHFFFAOYSA-N	-1	0	291.263	0.309	20	30		CCEDRM
COC(=O)CCN(CC(=O)[O-])C(=O)c1ccc(C#N)o1	ZINC001574056171	962185544	/nfs/dbraw/zinc/18/55/44/962185544.db2.gz	JMHVZHCMBFMYPP-UHFFFAOYSA-N	-1	0	280.236	0.241	20	30		CCEDRM
COC(=O)CCN(CC(=O)[O-])C(=O)c1ccc(C#N)nc1	ZINC001574056543	962193045	/nfs/dbraw/zinc/19/30/45/962193045.db2.gz	RRNBTRXWNXRDKD-UHFFFAOYSA-N	-1	0	291.263	0.043	20	30		CCEDRM
CO[C@H](C(=O)[O-])C(=O)Nc1cc(C)nn1CCC#N	ZINC001574104178	962419458	/nfs/dbraw/zinc/41/94/58/962419458.db2.gz	GLAXBTYGRKGDGX-VIFPVBQESA-N	-1	0	266.257	0.143	20	30		CCEDRM
C#CCCCCNC(=O)N1C[C@H](C)O[C@H](C(=O)[O-])C1	ZINC001573302607	962657573	/nfs/dbraw/zinc/65/75/73/962657573.db2.gz	YLZCZFWIPHLAJS-QWRGUYRKSA-N	-1	0	268.313	0.673	20	30		CCEDRM
COCCN(CCC#N)C(=O)c1cc(C(=O)[O-])n[nH]1	ZINC001574153733	962670007	/nfs/dbraw/zinc/67/00/07/962670007.db2.gz	RHMAMEFSTBBANK-UHFFFAOYSA-N	-1	0	266.257	0.110	20	30		CCEDRM
C#CC[C@H](NC(=O)c1nncc2ccccc21)C(=O)[O-]	ZINC001573303755	962681391	/nfs/dbraw/zinc/68/13/91/962681391.db2.gz	RVQJWQJDIURZFO-NSHDSACASA-N	-1	0	269.260	0.836	20	30		CCEDRM
C#CC[C@H](NC(=O)c1ccc2[nH]c(CO)nc2c1)C(=O)[O-]	ZINC001573303911	962682647	/nfs/dbraw/zinc/68/26/47/962682647.db2.gz	UNEUYOMVJGPDAA-JTQLQIEISA-N	-1	0	287.275	0.262	20	30		CCEDRM
C=C(C)C(C)(C)C(=O)NC[C@@H](CC)NC(=O)CNC(=O)[O-]	ZINC001573322452	962771343	/nfs/dbraw/zinc/77/13/43/962771343.db2.gz	ZGCBBMMPRUIWHX-SNVBAGLBSA-N	-1	0	299.371	0.867	20	30		CCEDRM
C=C(C)CCN1CC2(C1)C[C@@H](NC(=O)CNC(=O)[O-])CO2	ZINC001573324565	962786951	/nfs/dbraw/zinc/78/69/51/962786951.db2.gz	UZICIIRKHYFSPN-LLVKDONJSA-N	-1	0	297.355	0.180	20	30		CCEDRM
C=C(C)CCN1CC2(C1)C[C@H](NC(=O)CNC(=O)[O-])CO2	ZINC001573324566	962787737	/nfs/dbraw/zinc/78/77/37/962787737.db2.gz	UZICIIRKHYFSPN-NSHDSACASA-N	-1	0	297.355	0.180	20	30		CCEDRM
C=CCN(CCc1ccco1)C(=O)COCC(=O)[O-]	ZINC001573328862	962811552	/nfs/dbraw/zinc/81/15/52/962811552.db2.gz	PWZSARMHXWCCRW-UHFFFAOYSA-N	-1	0	267.281	0.938	20	30		CCEDRM
C=C(CCC(=O)[O-])C(=O)N1CCC(NC(C)=O)CC1	ZINC001573332419	962833570	/nfs/dbraw/zinc/83/35/70/962833570.db2.gz	NBKBTLAJYVRDIY-UHFFFAOYSA-N	-1	0	268.313	0.535	20	30		CCEDRM
C=C(CCC(=O)[O-])C(=O)N[C@@H](CO)[C@@H](O)c1cccnc1	ZINC001573333113	962851263	/nfs/dbraw/zinc/85/12/63/962851263.db2.gz	VLTFSSCZZRIGNH-AAEUAGOBSA-N	-1	0	294.307	0.013	20	30		CCEDRM
C=C(Cl)CN(C)[C@H]1CCN(C(=O)CNC(=O)[O-])C1	ZINC001573338785	962881014	/nfs/dbraw/zinc/88/10/14/962881014.db2.gz	IPGYIEAJQXQAHJ-VIFPVBQESA-N	-1	0	275.736	0.539	20	30		CCEDRM
C=C(Cl)CN1CCC[C@H](NC(=O)CNC(=O)[O-])[C@@H]1C	ZINC001573338903	962883665	/nfs/dbraw/zinc/88/36/65/962883665.db2.gz	KLPSOABMEDHVTJ-UWVGGRQHSA-N	-1	0	289.763	0.976	20	30		CCEDRM
C#CC[C@H](NS(=O)(=O)CCCCF)C(=O)[O-]	ZINC000287394343	962892124	/nfs/dbraw/zinc/89/21/24/962892124.db2.gz	DHNHASOVTKHCES-QMMMGPOBSA-N	-1	0	251.279	0.132	20	30		CCEDRM
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C=CC(C)(C)C(=O)N(C)CCNc1ccnc(C(=O)[O-])n1	ZINC001573345182	962928554	/nfs/dbraw/zinc/92/85/54/962928554.db2.gz	KJHNXVWJPBLFLQ-UHFFFAOYSA-N	-1	0	292.339	0.679	20	30		CCEDRM
C=C[C@](C)(CC)C(=O)N(CC)CCNC(=O)CNC(=O)[O-]	ZINC001573348427	962959061	/nfs/dbraw/zinc/95/90/61/962959061.db2.gz	WZQLRLQHOLUVFS-CQSZACIVSA-N	-1	0	299.371	0.821	20	30		CCEDRM
C=CC[C@H](CO)CNC(=O)NC[C@H](CC(=O)[O-])C1CC1	ZINC001573350636	962971871	/nfs/dbraw/zinc/97/18/71/962971871.db2.gz	KXUZKYXKSDTBES-JQWIXIFHSA-N	-1	0	284.356	0.971	20	30		CCEDRM
C=CCCC(=O)NC/C=C/CNC(=O)CNC(=O)[O-]	ZINC001573353553	963003358	/nfs/dbraw/zinc/00/33/58/963003358.db2.gz	YRAQQWBIWWHLDF-SNAWJCMRSA-N	-1	0	269.301	0.009	20	30		CCEDRM
C=CCCCC(=O)NCCN(C)C(=O)[C@H]1C[C@@H]1C(=O)[O-]	ZINC001573356468	963008178	/nfs/dbraw/zinc/00/81/78/963008178.db2.gz	BYZWHJKBNHWOOF-QWRGUYRKSA-N	-1	0	282.340	0.638	20	30		CCEDRM
CC(=O)N[C@@H](CSc1cc(C#N)cc(C)n1)C(=O)[O-]	ZINC000300448193	963010239	/nfs/dbraw/zinc/01/02/39/963010239.db2.gz	QRRKKWYNWDEFHS-JTQLQIEISA-N	-1	0	279.321	0.943	20	30		CCEDRM
C=CCC[C@@H](CO)NS(=O)(=O)[C@H]1CC[C@@H](C(=O)[O-])C1	ZINC001573358069	963024195	/nfs/dbraw/zinc/02/41/95/963024195.db2.gz	WLYFEDFPZZRQNI-VWYCJHECSA-N	-1	0	291.369	0.486	20	30		CCEDRM
CC(=O)CSCC(=O)N1CCC(C#N)(C(=O)[O-])CC1	ZINC001573401688	963140191	/nfs/dbraw/zinc/14/01/91/963140191.db2.gz	FQZQOJTZBVJONU-UHFFFAOYSA-N	-1	0	284.337	0.526	20	30		CCEDRM
CN1C[C@H](C(=O)[O-])N(Cc2ccc(C#N)s2)CC1=O	ZINC001571009066	963267397	/nfs/dbraw/zinc/26/73/97/963267397.db2.gz	IULOGPDHTUTXSZ-SNVBAGLBSA-N	-1	0	279.321	0.347	20	30		CCEDRM
C[C@H](NC(=O)[C@H](C)NC(=O)C1(C#N)CCCC1)C(=O)[O-]	ZINC001571013028	963289937	/nfs/dbraw/zinc/28/99/37/963289937.db2.gz	GUYAHSOCGNKLQP-IUCAKERBSA-N	-1	0	281.312	0.164	20	30		CCEDRM
COC(=O)[C@H]1CCN(C(=O)[C@@H]2C[C@@H]2C#N)[C@@H](C(=O)[O-])C1	ZINC001571013543	963299419	/nfs/dbraw/zinc/29/94/19/963299419.db2.gz	LOTDXENSXAKNHZ-SGIHWFKDSA-N	-1	0	280.280	0.011	20	30		CCEDRM
N#Cc1cccn(Cc2ncccc2C(=O)[O-])c1=O	ZINC000311575226	963492474	/nfs/dbraw/zinc/49/24/74/963492474.db2.gz	CYRQBIANCNZCKT-UHFFFAOYSA-N	-1	0	255.233	0.861	20	30		CCEDRM
C#CCCCC(=O)NC[C@@H](C)Nc1ccnc(C(=O)[O-])n1	ZINC001588435365	964020855	/nfs/dbraw/zinc/02/08/55/964020855.db2.gz	NKCZYOWUFDVXOF-SNVBAGLBSA-N	-1	0	290.323	0.317	20	30		CCEDRM
C#CCCCCC(=O)O[C@H]1C[C@H](C(=O)[O-])N(C)C1	ZINC001588440774	964045367	/nfs/dbraw/zinc/04/53/67/964045367.db2.gz	QALAIYAHZGTTFE-WDEREUQCSA-N	-1	0	253.298	0.881	20	30		CCEDRM
C#CCCCCNC(=O)C(=O)N(C)[C@H]1C[C@@H](C(=O)[O-])C1	ZINC001588441566	964051882	/nfs/dbraw/zinc/05/18/82/964051882.db2.gz	INGPTIQPDORNKD-PHIMTYICSA-N	-1	0	280.324	0.228	20	30		CCEDRM
C#CCN(CC(=O)[O-])S(=O)(=O)CCc1ccccc1	ZINC000092479589	967595332	/nfs/dbraw/zinc/59/53/32/967595332.db2.gz	WDNWLFBHTNIPTE-UHFFFAOYSA-N	-1	0	281.333	0.579	20	30		CCEDRM
C#CCN(CC(=O)[O-])C(=O)NCc1ccnc(C)c1	ZINC000391631859	968189703	/nfs/dbraw/zinc/18/97/03/968189703.db2.gz	LXMHDPDZIKQJBS-UHFFFAOYSA-N	-1	0	261.281	0.619	20	30		CCEDRM
C[C@H]1C[C@H](C(=O)[O-])CN(C(=O)CSCC#N)C1	ZINC000398967814	968286077	/nfs/dbraw/zinc/28/60/77/968286077.db2.gz	YMIHBZMRZIYTQX-IUCAKERBSA-N	-1	0	256.327	0.812	20	30		CCEDRM
C#C[C@H](C)N(C)C(=O)C(=O)Nc1ccc(C(=O)[O-])cc1F	ZINC001609623795	970422124	/nfs/dbraw/zinc/42/21/24/970422124.db2.gz	CUNPRHJEVIQGAV-QMMMGPOBSA-N	-1	0	292.266	0.943	20	30		CCEDRM
C=CCCN(C)C(=O)C(=O)N1CCC(C(=O)[O-])CC1	ZINC001609626370	970428111	/nfs/dbraw/zinc/42/81/11/970428111.db2.gz	YXOXUNFRCVSSKQ-UHFFFAOYSA-N	-1	0	268.313	0.344	20	30		CCEDRM
C[C@H](C(=O)[O-])C(=O)OCC(=O)NCc1cccc(C#N)c1	ZINC001609706348	970481352	/nfs/dbraw/zinc/48/13/52/970481352.db2.gz	PUHZBTZJFBWDSC-SECBINFHSA-N	-1	0	290.275	0.438	20	30		CCEDRM
C[C@H](C(=O)[O-])C(=O)OCC(=O)N(C)C1(C#N)CCCCC1	ZINC001609706443	970482178	/nfs/dbraw/zinc/48/21/78/970482178.db2.gz	TVDFTPLJTFEICJ-SNVBAGLBSA-N	-1	0	296.323	0.935	20	30		CCEDRM
CC[C@@H](NC(=O)[C@](C)(C#N)CC(=O)[O-])C(OC)OC	ZINC001610133263	970680465	/nfs/dbraw/zinc/68/04/65/970680465.db2.gz	LJSCPCBYBUTEIS-PELKAZGASA-N	-1	0	272.301	0.505	20	30		CCEDRM
C[C@@H](NC(=O)N[C@@H](CC#N)C(F)(F)F)C(=O)[O-]	ZINC001604988894	972578557	/nfs/dbraw/zinc/57/85/57/972578557.db2.gz	HOTKYQBTIAJTGH-UHNVWZDZSA-N	-1	0	253.180	0.603	20	30		CCEDRM
C[C@@H](NC(=O)c1ccn(-c2cccc(C#N)c2)n1)C(=O)[O-]	ZINC001604994082	972586819	/nfs/dbraw/zinc/58/68/19/972586819.db2.gz	OZWAAXQRUUZTGG-SECBINFHSA-N	-1	0	284.275	0.947	20	30		CCEDRM
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Cc1[nH]c(C#N)cc1C(=O)N[C@H](C(=O)[O-])c1ccnn1C	ZINC001605064509	972686596	/nfs/dbraw/zinc/68/65/96/972686596.db2.gz	YWFVYGWUBJHNLI-NSHDSACASA-N	-1	0	287.279	0.484	20	30		CCEDRM
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C[C@](O)(CNC(=O)c1ccc(CC#N)cc1)C(=O)[O-]	ZINC001604373180	973084588	/nfs/dbraw/zinc/08/45/88/973084588.db2.gz	GRBCRLZRWHTYDR-ZDUSSCGKSA-N	-1	0	262.265	0.318	20	30		CCEDRM
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COC[C@]1(C(=O)[O-])CN(C(=O)c2coc(C#N)c2)CCO1	ZINC001604557785	973600455	/nfs/dbraw/zinc/60/04/55/973600455.db2.gz	JJZBRKBOAFAQET-ZDUSSCGKSA-N	-1	0	294.263	0.093	20	30		CCEDRM
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CCCCCn1c(=O)c(C#N)cn(CC(=O)[O-])c1=O	ZINC001603645417	973998619	/nfs/dbraw/zinc/99/86/19/973998619.db2.gz	GCVNKUGJLBWNFT-UHFFFAOYSA-N	-1	0	265.269	0.156	20	30		CCEDRM
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COc1nccc(COC(=O)[C@@](C)(C#N)CC(=O)[O-])n1	ZINC001604906946	974173274	/nfs/dbraw/zinc/17/32/74/974173274.db2.gz	RCSINFKZIMSJEP-GFCCVEGCSA-N	-1	0	279.252	0.533	20	30		CCEDRM
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CN(C(=O)c1cnc(C(=O)[O-])cn1)[C@H]1CCC[C@@H]1C#N	ZINC001604041649	974571396	/nfs/dbraw/zinc/57/13/96/974571396.db2.gz	UNNWAUXVRUNVJN-KCJUWKMLSA-N	-1	0	274.280	0.939	20	30		CCEDRM
CC(C)c1nc(C(=O)N(CC#N)CC(=O)[O-])c[nH]1	ZINC001592008744	976681386	/nfs/dbraw/zinc/68/13/86/976681386.db2.gz	RGGYGBIUZVFWJA-UHFFFAOYSA-N	-1	0	250.258	0.583	20	30		CCEDRM
C[C@@H](CC#N)OC(=O)CN1CCC[C@H](C(=O)[O-])C1=O	ZINC001592225682	977411852	/nfs/dbraw/zinc/41/18/52/977411852.db2.gz	JHGBPIYGHVSOQJ-IUCAKERBSA-N	-1	0	268.269	0.155	20	30		CCEDRM
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CC[C@H](CC#N)OC(=O)CN1CCC[C@@H](C(=O)[O-])C1=O	ZINC001595029554	979159800	/nfs/dbraw/zinc/15/98/00/979159800.db2.gz	CQHPNCREGFVGKF-NXEZZACHSA-N	-1	0	282.296	0.545	20	30		CCEDRM
CC[C@@H](CC#N)N[C@@H]1CCCN(CCC(=O)[O-])C1=O	ZINC001595030078	979163619	/nfs/dbraw/zinc/16/36/19/979163619.db2.gz	LBTOZMBZWCLTIE-WDEREUQCSA-N	-1	0	267.329	0.734	20	30		CCEDRM
CC[C@H]1CN(c2ccc(C(=O)[O-])nc2C#N)C[C@H]1O	ZINC001595491769	981251680	/nfs/dbraw/zinc/25/16/80/981251680.db2.gz	CLBVDJNEZJWMKP-QPUJVOFHSA-N	-1	0	261.281	0.859	20	30		CCEDRM
CCC[C@@](C)(NC(=O)[C@H](C)n1cnc(C#N)n1)C(=O)[O-]	ZINC001595547176	981417860	/nfs/dbraw/zinc/41/78/60/981417860.db2.gz	XHXLAQJVOOENLH-QPUJVOFHSA-N	-1	0	279.300	0.470	20	30		CCEDRM
CC[C@@](C)(C#N)C(=O)N[C@H](CC1OCCO1)C(=O)[O-]	ZINC001594778142	981772793	/nfs/dbraw/zinc/77/27/93/981772793.db2.gz	IZWZLTVPOGLWCB-PELKAZGASA-N	-1	0	270.285	0.259	20	30		CCEDRM
CC[C@H](C)[C@@H](C(=O)OC)N(CC#N)CCC(=O)[O-]	ZINC001594873793	982195808	/nfs/dbraw/zinc/19/58/08/982195808.db2.gz	PMIANEVIYHHIGM-ONGXEEELSA-N	-1	0	256.302	0.874	20	30		CCEDRM
N#Cc1ccc(S(=O)(=O)N2CC3CC2(C(=O)[O-])C3)nc1	ZINC001574249962	983203731	/nfs/dbraw/zinc/20/37/31/983203731.db2.gz	OVZAUWBQHKNXRK-UHFFFAOYSA-N	-1	0	293.304	0.191	20	30		CCEDRM
C#CC(C)(C)N(C)S(=O)(=O)c1csnc1C(=O)[O-]	ZINC001588367176	983297497	/nfs/dbraw/zinc/29/74/97/983297497.db2.gz	KRECLMMFMBKPRC-UHFFFAOYSA-N	-1	0	288.350	0.874	20	30		CCEDRM
C#C[C@H](C)N(C)C(=O)C(=O)Nc1ccc(F)cc1C(=O)[O-]	ZINC001588369074	983310442	/nfs/dbraw/zinc/31/04/42/983310442.db2.gz	ZRHROCJRNATAST-QMMMGPOBSA-N	-1	0	292.266	0.943	20	30		CCEDRM
C#C[C@@H](CO)NC(=O)c1ccc(C(=O)[O-])c(F)c1	ZINC001588370842	983322492	/nfs/dbraw/zinc/32/24/92/983322492.db2.gz	OMPNUUUIMPFMAN-QMMMGPOBSA-N	-1	0	251.213	0.248	20	30		CCEDRM
C#C[C@H](NC(=O)N1C[C@@H](C)O[C@H](C(=O)[O-])C1)[C@H]1CCCO1	ZINC001588372142	983328738	/nfs/dbraw/zinc/32/87/38/983328738.db2.gz	DQHKFFDBDMLXEM-KXNHARMFSA-N	-1	0	296.323	0.051	20	30		CCEDRM
C#C[C@H](NC(=O)N1C[C@@H](C)[C@H](C(=O)[O-])C1)[C@H]1CCCO1	ZINC001588372414	983330562	/nfs/dbraw/zinc/33/05/62/983330562.db2.gz	KFDSDJGHCZSFSI-WISYIIOYSA-N	-1	0	280.324	0.529	20	30		CCEDRM
C#C[C@H](NC(=O)CN1CCC[C@H](C(=O)[O-])C1=O)C(C)(C)C	ZINC001588372460	983331286	/nfs/dbraw/zinc/33/12/86/983331286.db2.gz	LEHDRBCSMNEUER-QWRGUYRKSA-N	-1	0	294.351	0.474	20	30		CCEDRM
C#C[C@H](NC(=O)c1ccc(C(=O)[O-])[nH]1)[C@H]1CCCO1	ZINC001588376351	983351282	/nfs/dbraw/zinc/35/12/82/983351282.db2.gz	DCEBSOQHHNSYMO-GZMMTYOYSA-N	-1	0	262.265	0.624	20	30		CCEDRM
C#C[C@@H](NS(=O)(=O)CC(C)(C)C(=O)[O-])[C@H]1CCCO1	ZINC001588377232	983356050	/nfs/dbraw/zinc/35/60/50/983356050.db2.gz	JYTQJYOLBQIMIG-NXEZZACHSA-N	-1	0	289.353	0.197	20	30		CCEDRM
C#C[C@@H]1COCCN1C(=O)[C@H]1CCCC[C@H]1C(=O)[O-]	ZINC001588383917	983385081	/nfs/dbraw/zinc/38/50/81/983385081.db2.gz	OXFCAQJJZWKDCY-GRYCIOLGSA-N	-1	0	265.309	0.738	20	30		CCEDRM
C#C[C@H]1COCCN1C(=O)c1ccc(C(=O)[O-])s1	ZINC001588383932	983385553	/nfs/dbraw/zinc/38/55/53/983385553.db2.gz	PPLQVZNUOUUBRY-QMMMGPOBSA-N	-1	0	265.290	0.921	20	30		CCEDRM
C#CC[C@@H](COC)NC(=O)N1CC[C@H](C(=O)[O-])[C@H](C)C1	ZINC001588394747	983403812	/nfs/dbraw/zinc/40/38/12/983403812.db2.gz	NZSNFWHUVKYDEX-WOPDTQHZSA-N	-1	0	282.340	0.777	20	30		CCEDRM
C#CC[C@H](CO)NC(=O)NCC(C)(C)CC(=O)[O-]	ZINC001588395788	983406286	/nfs/dbraw/zinc/40/62/86/983406286.db2.gz	UABQUURVWFVQJQ-SECBINFHSA-N	-1	0	256.302	0.171	20	30		CCEDRM
C#CC[C@@H](CO)NC(=O)NCC(C)(C)CC(=O)[O-]	ZINC001588395789	983406416	/nfs/dbraw/zinc/40/64/16/983406416.db2.gz	UABQUURVWFVQJQ-VIFPVBQESA-N	-1	0	256.302	0.171	20	30		CCEDRM
C#CC[C@@H](COC)OC(=O)c1cncc(C(=O)[O-])c1	ZINC001588396038	983407416	/nfs/dbraw/zinc/40/74/16/983407416.db2.gz	WGQNBUIHHYSBFC-NSHDSACASA-N	-1	0	263.249	0.975	20	30		CCEDRM
C#CC[C@H](NC(=O)C1CCN(CC(F)F)CC1)C(=O)[O-]	ZINC001588406646	983426045	/nfs/dbraw/zinc/42/60/45/983426045.db2.gz	RTFPFDYGBIQZSV-JTQLQIEISA-N	-1	0	288.294	0.556	20	30		CCEDRM
C#CC[C@H](NC(=O)[C@@H]1CCCCN1C(=O)CC)C(=O)[O-]	ZINC001588406723	983426344	/nfs/dbraw/zinc/42/63/44/983426344.db2.gz	SRLQQUUUWUSPFQ-QWRGUYRKSA-N	-1	0	280.324	0.370	20	30		CCEDRM
C#CC[C@H](NC(=O)Cc1ccnc(OC)c1)C(=O)[O-]	ZINC001588408030	983430274	/nfs/dbraw/zinc/43/02/74/983430274.db2.gz	VPPPINSUOJWDCW-JTQLQIEISA-N	-1	0	262.265	0.225	20	30		CCEDRM
C#CC[C@@H](NC(=O)c1ccsc1C(=O)[O-])C(=O)OC	ZINC001588416157	983436401	/nfs/dbraw/zinc/43/64/01/983436401.db2.gz	JTCSECXKDISGAX-MRVPVSSYSA-N	-1	0	281.289	0.741	20	30		CCEDRM
C#CC[C@H](NC(=O)c1cncc(-c2cnn(C)c2)c1)C(=O)[O-]	ZINC001588417033	983438197	/nfs/dbraw/zinc/43/81/97/983438197.db2.gz	VGSNNTUOGVXYOF-ZDUSSCGKSA-N	-1	0	298.302	0.688	20	30		CCEDRM
C#CC[C@@H](NCc1ccc(OCC(=O)[O-])cc1)C(=O)OC	ZINC001588422297	983445577	/nfs/dbraw/zinc/44/55/77/983445577.db2.gz	IQWUSBCQDNYQQX-CYBMUJFWSA-N	-1	0	291.303	0.805	20	30		CCEDRM
C#CC[C@@H](NS(=O)(=O)c1cnccc1OCC)C(=O)[O-]	ZINC001588428456	983461679	/nfs/dbraw/zinc/46/16/79/983461679.db2.gz	PDZCXFDNYVELQH-SECBINFHSA-N	-1	0	298.320	0.235	20	30		CCEDRM
C#CCC1(O)CCN(C(=O)c2cc(C(=O)[O-])on2)CC1	ZINC001588430722	983464226	/nfs/dbraw/zinc/46/42/26/983464226.db2.gz	CTNBFRGMEYXOHY-UHFFFAOYSA-N	-1	0	278.264	0.363	20	30		CCEDRM
C#CCC1(O)CCN(C(=O)[C@H](CC)C(=O)[O-])CC1	ZINC001588431923	983466462	/nfs/dbraw/zinc/46/64/62/983466462.db2.gz	REBQWZBMYHGCAA-JTQLQIEISA-N	-1	0	253.298	0.474	20	30		CCEDRM
C#CCCCC(=O)NCCN(C)C(=O)[C@@H]1C[C@H]1C(=O)[O-]	ZINC001588435236	983475482	/nfs/dbraw/zinc/47/54/82/983475482.db2.gz	HPSXOJCXGVQZHF-GHMZBOCLSA-N	-1	0	280.324	0.085	20	30		CCEDRM
C#CCCOc1ccc(C(=O)NC[C@@H](O)CC(=O)[O-])cc1	ZINC001588455915	983480837	/nfs/dbraw/zinc/48/08/37/983480837.db2.gz	WRZWFWALLZPDKG-LBPRGKRZSA-N	-1	0	291.303	0.654	20	30		CCEDRM
C#CCCOC(=O)N1CCSC[C@@H](C(=O)[O-])C1	ZINC001588456140	983481518	/nfs/dbraw/zinc/48/15/18/983481518.db2.gz	ZYEPKKSSUBESHS-VIFPVBQESA-N	-1	0	257.311	0.896	20	30		CCEDRM
C#CCCS(=O)(=O)N[C@H]1CCCn2nc(C(=O)[O-])cc21	ZINC001588457438	983481695	/nfs/dbraw/zinc/48/16/95/983481695.db2.gz	AIVKIJVYIRBFIC-VIFPVBQESA-N	-1	0	297.336	0.359	20	30		CCEDRM
C#CCN(C(=O)[C@@H]1C[C@H]1C(=O)[O-])C1CCN(CC#N)CC1	ZINC001588460294	983487851	/nfs/dbraw/zinc/48/78/51/983487851.db2.gz	XENVFGZUGGUZMP-CHWSQXEVSA-N	-1	0	289.335	0.157	20	30		CCEDRM
C#CCN(C)C(=O)[C@@H](CCC(=O)[O-])NC(=O)OC(C)(C)C	ZINC001588461059	983488580	/nfs/dbraw/zinc/48/85/80/983488580.db2.gz	DKFMVKZWIWCGCC-SNVBAGLBSA-N	-1	0	298.339	0.836	20	30		CCEDRM
C#CCN(C)C(=O)C(=O)Nc1sccc1C(=O)[O-]	ZINC001588461685	983490733	/nfs/dbraw/zinc/49/07/33/983490733.db2.gz	XDPSODNDNIZBBU-UHFFFAOYSA-N	-1	0	266.278	0.476	20	30		CCEDRM
C#CCN(C1CSC1)S(=O)(=O)C[C@@H](C)C(=O)[O-]	ZINC001588464647	983493804	/nfs/dbraw/zinc/49/38/04/983493804.db2.gz	APLWANNPSHGVTP-MRVPVSSYSA-N	-1	0	277.367	0.088	20	30		CCEDRM
C#CCN(CC(=O)OC(C)(C)C)C(=O)[C@H](CC)C(=O)[O-]	ZINC001588465813	983496540	/nfs/dbraw/zinc/49/65/40/983496540.db2.gz	IQRTZIZXVHEQFM-JTQLQIEISA-N	-1	0	283.324	0.901	20	30		CCEDRM
C#CCN(CC1CC1)Cn1nc(C(=O)[O-])ccc1=O	ZINC001588467634	983499048	/nfs/dbraw/zinc/49/90/48/983499048.db2.gz	AGTYFQYTRGBVFF-UHFFFAOYSA-N	-1	0	261.281	0.244	20	30		CCEDRM
C#CCN(CC)S(=O)(=O)c1ccc(C#N)cc1C(=O)[O-]	ZINC001588467938	983499666	/nfs/dbraw/zinc/49/96/66/983499666.db2.gz	IJNZFUNBDLAIDF-UHFFFAOYSA-N	-1	0	292.316	0.900	20	30		CCEDRM
C#CCN1CCC[C@H](NC(=O)N2CC[C@H](C(=O)[O-])[C@H]2C)C1	ZINC001588477370	983515840	/nfs/dbraw/zinc/51/58/40/983515840.db2.gz	ZCQBJQRCOXXHSX-AGIUHOORSA-N	-1	0	293.367	0.589	20	30		CCEDRM
C#CCNC(=O)[C@H](C)N(C)Cc1cc(C(=O)[O-])c(C)o1	ZINC001588479591	983520443	/nfs/dbraw/zinc/52/04/43/983520443.db2.gz	UYGNJDBCTAZXDW-VIFPVBQESA-N	-1	0	278.308	0.856	20	30		CCEDRM
C#CCNC(=S)NCc1cc(C)c(C(=O)[O-])o1	ZINC001588485137	983524164	/nfs/dbraw/zinc/52/41/64/983524164.db2.gz	DGAGTTRDDCMLGF-UHFFFAOYSA-N	-1	0	252.295	0.884	20	30		CCEDRM
C#CCO[C@@H](C)C(=O)N(C)[C@H](COC1CCC1)C(=O)[O-]	ZINC001588490764	983534205	/nfs/dbraw/zinc/53/42/05/983534205.db2.gz	YALBTUOIICVGCH-CMPLNLGQSA-N	-1	0	283.324	0.505	20	30		CCEDRM
C#CCOc1ccc(C(=O)N[C@@]2(C(=O)[O-])C[C@@H](O)C2)cc1	ZINC001588497399	983538472	/nfs/dbraw/zinc/53/84/72/983538472.db2.gz	COXLMTUHLPMZME-WGRBQBNCSA-N	-1	0	289.287	0.407	20	30		CCEDRM
C#Cc1ccc(C(=O)N2CC(F)(F)C[C@H]2C(=O)[O-])nc1	ZINC001588510327	983555059	/nfs/dbraw/zinc/55/50/59/983555059.db2.gz	AMNCLOZKEPLMAC-JTQLQIEISA-N	-1	0	280.230	0.997	20	30		CCEDRM
C#Cc1ccc(C(=O)N[C@H](CCC(=O)OC)C(=O)[O-])nc1	ZINC001588516168	983560521	/nfs/dbraw/zinc/56/05/21/983560521.db2.gz	BODJYZOVYWFBDU-LLVKDONJSA-N	-1	0	290.275	0.199	20	30		CCEDRM
C#Cc1cccc(CN2C(=O)N[C@@H]([C@@H]3C[C@H]3C(=O)[O-])C2=O)c1	ZINC001588518210	983568577	/nfs/dbraw/zinc/56/85/77/983568577.db2.gz	WCQQSCKHIWAZRS-UPJWGTAASA-N	-1	0	298.298	0.809	20	30		CCEDRM
C#Cc1ccccc1CC(=O)N[C@@](C)(CO)C(=O)[O-]	ZINC001588524350	983574357	/nfs/dbraw/zinc/57/43/57/983574357.db2.gz	FRCLAMDUKHGABL-AWEZNQCLSA-N	-1	0	261.277	0.162	20	30		CCEDRM
C=C(Br)CNC(=O)NC[C@H](F)C(=O)[O-]	ZINC001588528908	983579042	/nfs/dbraw/zinc/57/90/42/983579042.db2.gz	ILHJDGPIZPXOAJ-YFKPBYRVSA-N	-1	0	269.070	0.617	20	30		CCEDRM
C=C(C)[C@@H](CC(=O)NC[C@H]1CCO[C@H]1C(=O)[O-])OCC	ZINC001588529907	983582683	/nfs/dbraw/zinc/58/26/83/983582683.db2.gz	LELQYDNJGGCGLU-NQBHXWOUSA-N	-1	0	285.340	0.964	20	30		CCEDRM
C=C(C)[C@@H]1OCC[C@H]1CNC(=O)[C@H]1CC[C@@H](C(=O)[O-])O1	ZINC001588535134	983588180	/nfs/dbraw/zinc/58/81/80/983588180.db2.gz	FMEKXQWLZYMZCW-USZNOCQGSA-N	-1	0	283.324	0.716	20	30		CCEDRM
C=C(C)[C@H]1OCC[C@H]1CNC(=O)NC[C@H]1C[C@H]1C(=O)[O-]	ZINC001588535383	983589137	/nfs/dbraw/zinc/58/91/37/983589137.db2.gz	NPBFTDCWFTYCBY-IRCOFANPSA-N	-1	0	282.340	0.988	20	30		CCEDRM
C=C(C)C[C@@H](NC(=O)[C@@H](CC)NC(C)=O)C(=O)[O-]	ZINC001588537266	983598582	/nfs/dbraw/zinc/59/85/82/983598582.db2.gz	KQVMZJMELWNLMJ-NXEZZACHSA-N	-1	0	256.302	0.437	20	30		CCEDRM
C=C(C)C[C@@H](NC(=O)[C@H]1CCc2nnnn2CC1)C(=O)[O-]	ZINC001588540984	983605734	/nfs/dbraw/zinc/60/57/34/983605734.db2.gz	PVKJVDBBTFDFHL-VHSXEESVSA-N	-1	0	293.327	0.161	20	30		CCEDRM
C=C(C)C[C@@H](NC(=O)[C@H]1CCCN(C(N)=O)C1)C(=O)[O-]	ZINC001588541183	983606855	/nfs/dbraw/zinc/60/68/55/983606855.db2.gz	UZHFQMFKRNJKKA-VHSXEESVSA-N	-1	0	283.328	0.313	20	30		CCEDRM
C=C(C)C[C@H](NC(C)=O)C(=O)O[C@@H](C)CC(=O)[O-]	ZINC001588546698	983616387	/nfs/dbraw/zinc/61/63/87/983616387.db2.gz	AHBLEDIKZFXZEK-WPRPVWTQSA-N	-1	0	257.286	0.864	20	30		CCEDRM
C=C(C)C[C@@H](NC(C)=O)C(=O)Nc1cc(C(=O)[O-])nn1C	ZINC001588547824	983621762	/nfs/dbraw/zinc/62/17/62/983621762.db2.gz	NQZQWIWRHVIPPY-SECBINFHSA-N	-1	0	294.311	0.528	20	30		CCEDRM
C=C(C)C[C@@H](NC(=O)c1ccnc2ccnn21)C(=O)[O-]	ZINC001588547908	983621803	/nfs/dbraw/zinc/62/18/03/983621803.db2.gz	IQUPLNIYCQITSK-SECBINFHSA-N	-1	0	274.280	0.879	20	30		CCEDRM
C=C(C)C[C@@H](NC(=O)c1[nH]ncc1[N+](=O)[O-])C(=O)[O-]	ZINC001588548780	983625561	/nfs/dbraw/zinc/62/55/61/983625561.db2.gz	UASWUFBVHOKSQJ-ZCFIWIBFSA-N	-1	0	268.229	0.467	20	30		CCEDRM
C=C(C)C[C@H](NS(=O)(=O)C[C@H](OC)C(C)C)C(=O)[O-]	ZINC001588553085	983627485	/nfs/dbraw/zinc/62/74/85/983627485.db2.gz	GSWBHLHORJDQPJ-QWRGUYRKSA-N	-1	0	293.385	0.996	20	30		CCEDRM
C=C(C)C[C@H]1NC(=O)N(OCCCC(=O)[O-])C1=O	ZINC001588554601	983631428	/nfs/dbraw/zinc/63/14/28/983631428.db2.gz	LFDFGCCBTDUWJY-MRVPVSSYSA-N	-1	0	256.258	0.669	20	30		CCEDRM
C=C(C)COCCNC(=O)Nc1nn(C)cc1C(=O)[O-]	ZINC001588569462	983648806	/nfs/dbraw/zinc/64/88/06/983648806.db2.gz	BTRPMSFOWJMHTC-UHFFFAOYSA-N	-1	0	282.300	0.833	20	30		CCEDRM
C=C(C)[C@H]1OCC[C@H]1C(=O)O[C@H](C)C(=O)NCC(=O)[O-]	ZINC001588605337	983692169	/nfs/dbraw/zinc/69/21/69/983692169.db2.gz	HQXIQRZHEGTURP-FXPVBKGRSA-N	-1	0	285.296	0.100	20	30		CCEDRM
C=C(CCC(=O)[O-])C(=O)N1CCO[C@H](C(F)F)C1	ZINC001588614790	983708544	/nfs/dbraw/zinc/70/85/44/983708544.db2.gz	CANKYSHOSSFIGK-QMMMGPOBSA-N	-1	0	263.240	0.900	20	30		CCEDRM
C=C(CCC(=O)[O-])C(=O)N1CCO[C@H]([C@@H](C)O)C1	ZINC001588615284	983710995	/nfs/dbraw/zinc/71/09/95/983710995.db2.gz	PIGZUERRZZUHBP-ZJUUUORDSA-N	-1	0	257.286	0.016	20	30		CCEDRM
C=C(CCC(=O)[O-])C(=O)N[C@H]1CCCC12OCCO2	ZINC001588621382	983718674	/nfs/dbraw/zinc/71/86/74/983718674.db2.gz	CJCJROMIDOCZQC-JTQLQIEISA-N	-1	0	269.297	0.819	20	30		CCEDRM
C=C(CCC(=O)[O-])C(=O)N[C@@H](C[C@@H]1CCCO1)C(=O)OC	ZINC001588622197	983722476	/nfs/dbraw/zinc/72/24/76/983722476.db2.gz	RABGJSYDVGFIRD-QWRGUYRKSA-N	-1	0	299.323	0.634	20	30		CCEDRM
C=C(CCC(=O)[O-])C(=O)NCC[C@@H](COC)OC	ZINC001588624668	983734063	/nfs/dbraw/zinc/73/40/63/983734063.db2.gz	RUKPOMCYOJFQHT-JTQLQIEISA-N	-1	0	259.302	0.575	20	30		CCEDRM
C=C(CCC(=O)[O-])C(=O)NCc1nc(C(=O)OC)co1	ZINC001588629436	983737271	/nfs/dbraw/zinc/73/72/71/983737271.db2.gz	AXLIFPKQHAGVAX-UHFFFAOYSA-N	-1	0	282.252	0.498	20	30		CCEDRM
C=C(CO)C(=O)Nc1cc(OC)c(OC)cc1C(=O)[O-]	ZINC001588637203	983759385	/nfs/dbraw/zinc/75/93/85/983759385.db2.gz	JUYABFDNQBHKMA-UHFFFAOYSA-N	-1	0	281.264	0.889	20	30		CCEDRM
C=C(Cl)C[C@H]1NC(=O)N(C[C@H](F)C(=O)[O-])C1=O	ZINC001588641521	983762541	/nfs/dbraw/zinc/76/25/41/983762541.db2.gz	DQMPTDYCBURMGL-NTSWFWBYSA-N	-1	0	264.640	0.472	20	30		CCEDRM
C=C[C@@H](C(=O)[O-])N(C)CC(=O)NCc1ccco1	ZINC001588663774	983796734	/nfs/dbraw/zinc/79/67/34/983796734.db2.gz	KOXKYFKJJNMSEM-JTQLQIEISA-N	-1	0	252.270	0.467	20	30		CCEDRM
C=C[C@@H](C(=O)[O-])N1CCN(c2nccn2C)CC1	ZINC001588668941	983808482	/nfs/dbraw/zinc/80/84/82/983808482.db2.gz	DMESTDBZOGEJHB-JTQLQIEISA-N	-1	0	250.302	0.181	20	30		CCEDRM
C=CC(C)(C)C(=O)N1CC(N(C)C(=O)[C@@H]2C[C@H]2C(=O)[O-])C1	ZINC001588671495	983820681	/nfs/dbraw/zinc/82/06/81/983820681.db2.gz	BVTSUNXTPWAXMV-GHMZBOCLSA-N	-1	0	294.351	0.589	20	30		CCEDRM
C=C[C@](C)(CC)C(=O)N1C[C@@H](C(=O)[O-])[C@H](C(=O)OC)C1	ZINC001588681300	983840221	/nfs/dbraw/zinc/84/02/21/983840221.db2.gz	WAMIYLPFAPHPOC-GPCCPHFNSA-N	-1	0	283.324	0.921	20	30		CCEDRM
C=C[C@@](C)(CCOC)C(=O)N[C@H](C(=O)[O-])[C@@H](C)O	ZINC001588682564	983844341	/nfs/dbraw/zinc/84/43/41/983844341.db2.gz	NVAIIAIWNVYTRM-PTRXPTGYSA-N	-1	0	259.302	0.165	20	30		CCEDRM
C=C[C@](C)(O)CC(=O)N[C@H]1C[C@@H](C(=O)[O-])[C@@H]2C[C@@H]21	ZINC001588684174	983856093	/nfs/dbraw/zinc/85/60/93/983856093.db2.gz	MPFSMMKYQRSTAC-DUYQIWHPSA-N	-1	0	253.298	0.539	20	30		CCEDRM
C=C[C@@](C)(O)CC(=O)N(C)[C@H](COC(C)C)C(=O)[O-]	ZINC001588684274	983858024	/nfs/dbraw/zinc/85/80/24/983858024.db2.gz	ODXSOWBJQMRNCO-ZWNOBZJWSA-N	-1	0	273.329	0.650	20	30		CCEDRM
C=C[C@@](C)(O)CC(=O)N(CCC(=O)[O-])C[C@H]1CCCO1	ZINC001588684755	983863518	/nfs/dbraw/zinc/86/35/18/983863518.db2.gz	XQWLPQIQQXVJCD-BXUZGUMPSA-N	-1	0	285.340	0.796	20	30		CCEDRM
C=C[C@H](COC)NC(=O)N1C[C@@H](C)[C@](C)(C(=O)[O-])C1	ZINC001588693162	983891057	/nfs/dbraw/zinc/89/10/57/983891057.db2.gz	SIZIWDRQXGBPAT-GIPNMCIBSA-N	-1	0	270.329	0.940	20	30		CCEDRM
C=C[C@H](OC(=O)[C@@H](OCC)[C@@H]1CCOC1)C(=O)[O-]	ZINC001588705129	983926196	/nfs/dbraw/zinc/92/61/96/983926196.db2.gz	KALARPOUGZUNCX-UTLUCORTSA-N	-1	0	258.270	0.610	20	30		CCEDRM
C=C[C@@H](OC(=O)c1cnn(CCOC)c1)C(=O)[O-]	ZINC001588712147	983942131	/nfs/dbraw/zinc/94/21/31/983942131.db2.gz	HOYGNROUCYRTBQ-SECBINFHSA-N	-1	0	254.242	0.326	20	30		CCEDRM
C=C[C@@H](OC(=O)c1cnn(C)c1Br)C(=O)[O-]	ZINC001588712212	983942850	/nfs/dbraw/zinc/94/28/50/983942850.db2.gz	HRMJVPBCYCMQGX-ZCFIWIBFSA-N	-1	0	289.085	0.979	20	30		CCEDRM
C=CC[C@H](N[C@@H](C[C@@H]1CCCO1)C(=O)[O-])C(=O)OC	ZINC001588745760	984055183	/nfs/dbraw/zinc/05/51/83/984055183.db2.gz	MVEZCKPLPVGSIK-DCAQKATOSA-N	-1	0	271.313	0.716	20	30		CCEDRM
C=CC[C@@H](NCc1nnc2n1CCCC2)C(=O)[O-]	ZINC001588748948	984063041	/nfs/dbraw/zinc/06/30/41/984063041.db2.gz	BLFQGXQAPIRBPX-SECBINFHSA-N	-1	0	250.302	0.733	20	30		CCEDRM
C=CC[C@H](OC(=O)[C@@H](OC)c1cnn(C)c1)C(=O)[O-]	ZINC001588751319	984075890	/nfs/dbraw/zinc/07/58/90/984075890.db2.gz	LJULFRVAVBFEEH-UWVGGRQHSA-N	-1	0	268.269	0.680	20	30		CCEDRM
C=CC[C@H](OC(=O)[C@]1(C)CCC(=O)NC1)C(=O)[O-]	ZINC001588752116	984079844	/nfs/dbraw/zinc/07/98/44/984079844.db2.gz	UNKPWNGUWPQLGL-QPUJVOFHSA-N	-1	0	255.270	0.475	20	30		CCEDRM
C=CC[C@@H](OC(=O)CCc1ncccn1)C(=O)[O-]	ZINC001588753165	984082830	/nfs/dbraw/zinc/08/28/30/984082830.db2.gz	BGXOTDZMKIVMLA-SECBINFHSA-N	-1	0	250.254	0.982	20	30		CCEDRM
C=CC[C@@H](OC(=O)C[C@@]1(C)CCS(=O)(=O)N1)C(=O)[O-]	ZINC001588754236	984092964	/nfs/dbraw/zinc/09/29/64/984092964.db2.gz	VWBHWWACLSJCIF-LDYMZIIASA-N	-1	0	291.325	0.031	20	30		CCEDRM
C=CC[C@@H](OC(=O)c1ccn(CCOC)n1)C(=O)[O-]	ZINC001588758709	984107395	/nfs/dbraw/zinc/10/73/95/984107395.db2.gz	IRKJZXUWLCSZHV-SNVBAGLBSA-N	-1	0	268.269	0.716	20	30		CCEDRM
C=CC[C@H]1CCN1C(=O)C(=O)Nc1cc(C(=O)[O-])n(C)c1	ZINC001588772997	984146554	/nfs/dbraw/zinc/14/65/54/984146554.db2.gz	UEFUACMDJPJYFF-JTQLQIEISA-N	-1	0	291.307	0.839	20	30		CCEDRM
C=CCCC[C@H](NC(=O)[C@H](C)n1cnc(C#N)n1)C(=O)[O-]	ZINC001588785380	984180120	/nfs/dbraw/zinc/18/01/20/984180120.db2.gz	GCTQXKVOMBHUJI-UWVGGRQHSA-N	-1	0	291.311	0.636	20	30		CCEDRM
C=CCCC[C@H](NC(=O)C(C)(C)S(C)(=O)=O)C(=O)[O-]	ZINC001588786209	984182959	/nfs/dbraw/zinc/18/29/59/984182959.db2.gz	NQRKSKUKWXXNDI-VIFPVBQESA-N	-1	0	291.369	0.735	20	30		CCEDRM
C=CCCC[C@H](NC(=O)C[C@@H]1COC(=O)C1)C(=O)[O-]	ZINC001588789887	984202135	/nfs/dbraw/zinc/20/21/35/984202135.db2.gz	MCHJPRNIHZDQLS-UWVGGRQHSA-N	-1	0	269.297	0.865	20	30		CCEDRM
C=CCCC[C@H](NC(=O)[C@@H]1CC[C@H](C(=O)[O-])O1)C(=O)OC	ZINC001588794490	984227606	/nfs/dbraw/zinc/22/76/06/984227606.db2.gz	WFZNQFKLWJBICF-GARJFASQSA-N	-1	0	299.323	0.633	20	30		CCEDRM
C=CCCC[C@@H](NS(=O)(=O)C1COC1)C(=O)[O-]	ZINC001588797668	984230622	/nfs/dbraw/zinc/23/06/22/984230622.db2.gz	INXXOLAZXUFDLH-SECBINFHSA-N	-1	0	263.315	0.114	20	30		CCEDRM
C=CCCN(C)C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)[O-]	ZINC001588805863	984256857	/nfs/dbraw/zinc/25/68/57/984256857.db2.gz	RCWDRQIFWFIZNR-IUCAKERBSA-N	-1	0	271.317	0.182	20	30		CCEDRM
C=CCCOCC(=O)N[C@H](Cn1ccnc1)C(=O)[O-]	ZINC001588810313	984266351	/nfs/dbraw/zinc/26/63/51/984266351.db2.gz	IKANRHYZGVDIJJ-SNVBAGLBSA-N	-1	0	267.285	0.045	20	30		CCEDRM
C=CCCn1cc(CN2CC[C@](OC)(C(=O)[O-])C2)nn1	ZINC001588820085	984281578	/nfs/dbraw/zinc/28/15/78/984281578.db2.gz	PSQDEBDQMBIOIY-CYBMUJFWSA-N	-1	0	280.328	0.530	20	30		CCEDRM
C=CCN(C(=O)[C@H]1CC[C@@H](C(=O)[O-])O1)[C@H](C)COC	ZINC001588820703	984285692	/nfs/dbraw/zinc/28/56/92/984285692.db2.gz	OMMHRGUPZNDXMT-MXWKQRLJSA-N	-1	0	271.313	0.668	20	30		CCEDRM
C=CCN(CC=C)C(=O)C(=O)N[C@H]1C[C@@H]2C[C@]2(C(=O)[O-])C1	ZINC001588825432	984300761	/nfs/dbraw/zinc/30/07/61/984300761.db2.gz	PSZTUANIEWFLLZ-ZETOZRRWSA-N	-1	0	292.335	0.557	20	30		CCEDRM
C=CCN1C(=O)C(=O)N(C[C@H]2CCCC[C@@H]2C(=O)[O-])C1=O	ZINC001588832613	984324378	/nfs/dbraw/zinc/32/43/78/984324378.db2.gz	SQLRNSYGNWCIGK-ZJUUUORDSA-N	-1	0	294.307	0.854	20	30		CCEDRM
C=CCN1C(=O)C(=O)N(Cc2occc2C(=O)[O-])C1=O	ZINC001588832849	984326586	/nfs/dbraw/zinc/32/65/86/984326586.db2.gz	ZCVNEDAQOUBGKI-UHFFFAOYSA-N	-1	0	278.220	0.455	20	30		CCEDRM
C=CCN1CC[C@H](OC(=O)c2ccc(C(=O)[O-])o2)C1=O	ZINC001588839812	984350039	/nfs/dbraw/zinc/35/00/39/984350039.db2.gz	WCZIFDAXFDXSNL-QMMMGPOBSA-N	-1	0	279.248	0.922	20	30		CCEDRM
C=CCN1CC[C@H](N2CC[C@](F)(C(=O)[O-])C2)C1=O	ZINC001588840112	984352116	/nfs/dbraw/zinc/35/21/16/984352116.db2.gz	ZSXKGFUXYWNHEM-JOYOIKCWSA-N	-1	0	256.277	0.272	20	30		CCEDRM
C=CCNC(=O)CN[C@@H](C(=O)[O-])c1ccc2c(c1)CCO2	ZINC001588844528	984358437	/nfs/dbraw/zinc/35/84/37/984358437.db2.gz	KQNBAMUQSLUMSS-CQSZACIVSA-N	-1	0	290.319	0.639	20	30		CCEDRM
C=CCNS(=O)(=O)c1cc(C(=O)[O-])c(F)cc1OC	ZINC001588847539	984364998	/nfs/dbraw/zinc/36/49/98/984364998.db2.gz	CISMLMHTLFPPPX-UHFFFAOYSA-N	-1	0	289.284	0.997	20	30		CCEDRM
C=CCO[C@@H]1CCN(C(=O)Nc2ccc(C(=O)[O-])nn2)C1	ZINC001588849789	984375100	/nfs/dbraw/zinc/37/51/00/984375100.db2.gz	JPAXOHREERJBEX-SECBINFHSA-N	-1	0	292.295	0.984	20	30		CCEDRM
C=CCOC[C@@H](NC(=O)[C@H](C)n1cccc1)C(=O)[O-]	ZINC001588855444	984392435	/nfs/dbraw/zinc/39/24/35/984392435.db2.gz	GWOMJBUZSLKYRF-WDEREUQCSA-N	-1	0	266.297	0.821	20	30		CCEDRM
C=CCOC[C@@H](NC(=O)[C@@H]1CCN1C(C)(C)C)C(=O)[O-]	ZINC001588855666	984394346	/nfs/dbraw/zinc/39/43/46/984394346.db2.gz	NNHDLISIZFSYJD-MNOVXSKESA-N	-1	0	284.356	0.631	20	30		CCEDRM
C=CCOC[C@H](NC(=O)[C@H]1CCc2nc[nH]c2C1)C(=O)[O-]	ZINC001588855905	984395084	/nfs/dbraw/zinc/39/50/84/984395084.db2.gz	QZWIIIOPOQIBPE-CABZTGNLSA-N	-1	0	293.323	0.287	20	30		CCEDRM
C=CCOC[C@H](NC(=O)c1cc(CO)c(C)o1)C(=O)[O-]	ZINC001588859495	984405905	/nfs/dbraw/zinc/40/59/05/984405905.db2.gz	NKHVFYXEJCMXRR-JTQLQIEISA-N	-1	0	283.280	0.466	20	30		CCEDRM
C=CCOC[C@@H](NC(=O)c1cc(C(=O)[O-])co1)C(=O)OC	ZINC001588859557	984406494	/nfs/dbraw/zinc/40/64/94/984406494.db2.gz	PXLCVHWGAPVSDU-SECBINFHSA-N	-1	0	297.263	0.452	20	30		CCEDRM
C=CCOC[C@@H](NC(=O)c1cnc2[nH]cnc2c1)C(=O)[O-]	ZINC001588860412	984412674	/nfs/dbraw/zinc/41/26/74/984412674.db2.gz	UOHSUYOEVRHBDH-SNVBAGLBSA-N	-1	0	290.279	0.344	20	30		CCEDRM
C=CCOC[C@H](NC(=O)c1cnc2n[nH]cc2c1)C(=O)[O-]	ZINC001588860433	984413278	/nfs/dbraw/zinc/41/32/78/984413278.db2.gz	UTPSFGKGUCNJAG-JTQLQIEISA-N	-1	0	290.279	0.344	20	30		CCEDRM
C=CCOC[C@@H](NC(=O)c1ccccc1[N+](=O)[O-])C(=O)[O-]	ZINC001588861354	984414988	/nfs/dbraw/zinc/41/49/88/984414988.db2.gz	GAELESLDCUOZMX-SNVBAGLBSA-N	-1	0	294.263	0.980	20	30		CCEDRM
C=CCOC[C@H](NC(=O)c1ccccc1[N+](=O)[O-])C(=O)[O-]	ZINC001588861353	984415142	/nfs/dbraw/zinc/41/51/42/984415142.db2.gz	GAELESLDCUOZMX-JTQLQIEISA-N	-1	0	294.263	0.980	20	30		CCEDRM
C=CCONC(=O)N1CCC[C@](O)(C2(C(=O)[O-])CCC2)C1	ZINC001588868601	984433819	/nfs/dbraw/zinc/43/38/19/984433819.db2.gz	MJJPCMURFYDNNK-CQSZACIVSA-N	-1	0	298.339	0.895	20	30		CCEDRM
C=CCONC(=O)N1CCC[C@H](n2cc(C(=O)[O-])nn2)C1	ZINC001588868700	984434651	/nfs/dbraw/zinc/43/46/51/984434651.db2.gz	QXLCGVDQJYIXSG-VIFPVBQESA-N	-1	0	295.299	0.440	20	30		CCEDRM
C=CCn1c(C[S@](C)=O)nnc1N1CC[C@H](C(=O)[O-])C1	ZINC001588900680	984521606	/nfs/dbraw/zinc/52/16/06/984521606.db2.gz	KZLAZAFTNMTLIU-LXGOIASLSA-N	-1	0	298.368	0.254	20	30		CCEDRM
C=CCn1cc(C(=O)N[C@@H](C(=O)[O-])[C@H](C)CC)nn1	ZINC001588909806	984545921	/nfs/dbraw/zinc/54/59/21/984545921.db2.gz	AXWSWAXPKAZPRB-PSASIEDQSA-N	-1	0	266.301	0.693	20	30		CCEDRM
C=CCn1cc(C(=O)N2C[C@H](C)[C@@](C)(C(=O)[O-])C2)nn1	ZINC001588910368	984549154	/nfs/dbraw/zinc/54/91/54/984549154.db2.gz	TXGDKTULHVEWDQ-ZANVPECISA-N	-1	0	278.312	0.647	20	30		CCEDRM
C=C[C@@H]1OCC[C@H]1C(=O)NCC1(CC(=O)[O-])CCOCC1	ZINC001588916269	984559299	/nfs/dbraw/zinc/55/92/99/984559299.db2.gz	CCFVWMLYXRDONN-NEPJUHHUSA-N	-1	0	297.351	0.965	20	30		CCEDRM
C=C[C@H](CO)NC(=O)NCc1ccc(Cl)c(C(=O)[O-])n1	ZINC001588919962	984575214	/nfs/dbraw/zinc/57/52/14/984575214.db2.gz	QCBGGQOTQCIAJW-SSDOTTSWSA-N	-1	0	299.714	0.779	20	30		CCEDRM
CC#CCCCC(=O)N1C[C@H](O)C[C@H](C(=O)[O-])C1	ZINC001588925327	984586412	/nfs/dbraw/zinc/58/64/12/984586412.db2.gz	OYYMTHWKSSANGR-WDEREUQCSA-N	-1	0	253.298	0.474	20	30		CCEDRM
CC#CC(=O)Nc1ccc(CC(=O)NCC(=O)[O-])cc1	ZINC001588925910	984589880	/nfs/dbraw/zinc/58/98/80/984589880.db2.gz	ACJJKTOCEDRWHM-UHFFFAOYSA-N	-1	0	274.276	0.392	20	30		CCEDRM
CC#CCCCC(=O)NCCn1cc(C(=O)[O-])nn1	ZINC001588927073	984596376	/nfs/dbraw/zinc/59/63/76/984596376.db2.gz	LPOJFVMXSCLZGL-UHFFFAOYSA-N	-1	0	264.285	0.286	20	30		CCEDRM
C[C@H]1CN(C(=O)C2(C#N)CC3(CC3)C2)C[C@@H](C(=O)[O-])O1	ZINC001599911912	984995869	/nfs/dbraw/zinc/99/58/69/984995869.db2.gz	IGINWNXASIHDJU-UWVGGRQHSA-N	-1	0	278.308	0.771	20	30		CCEDRM
CCOC(=O)c1cnn(Cc2oncc2C(=O)[O-])c1C#N	ZINC001596744362	985061198	/nfs/dbraw/zinc/06/11/98/985061198.db2.gz	SERLQFPNRLNURY-UHFFFAOYSA-N	-1	0	290.235	0.666	20	30		CCEDRM
CCO[C@@H]1C[C@](NCC(=O)NCCC#N)(C(=O)[O-])C1(C)C	ZINC001596833736	985470968	/nfs/dbraw/zinc/47/09/68/985470968.db2.gz	PXHBCGNEQOFEKZ-YGRLFVJLSA-N	-1	0	297.355	0.264	20	30		CCEDRM
Cc1[nH]c(C#N)cc1C(=O)N[C@H]1CCO[C@H]1C(=O)[O-]	ZINC001599942477	985472562	/nfs/dbraw/zinc/47/25/62/985472562.db2.gz	LZBJATDETJQQFD-VHSXEESVSA-N	-1	0	263.253	0.167	20	30		CCEDRM
C[C@@H]1CN([C@@H](C(=O)[O-])c2ccc(C#N)cc2)C[C@@H](CO)O1	ZINC001594501964	985690064	/nfs/dbraw/zinc/69/00/64/985690064.db2.gz	QNIUHJDFRIEKIT-DDTOSNHZSA-N	-1	0	290.319	0.766	20	30		CCEDRM
CC(=O)c1ccc(C(=O)N(CC#N)CC(=O)[O-])o1	ZINC001589274019	985979812	/nfs/dbraw/zinc/97/98/12/985979812.db2.gz	WCJXSPYOMHHINN-UHFFFAOYSA-N	-1	0	250.210	0.533	20	30		CCEDRM
Cc1c(C#N)cccc1C(=O)N1CCC[C@H](O)[C@H]1C(=O)[O-]	ZINC001599973460	986049345	/nfs/dbraw/zinc/04/93/45/986049345.db2.gz	UPADQEKMWMAKEH-STQMWFEESA-N	-1	0	288.303	0.917	20	30		CCEDRM
C[C@H]1CN(Cc2cc(C(=O)[O-])no2)C[C@H](C)N1CC#N	ZINC001594534816	986144162	/nfs/dbraw/zinc/14/41/62/986144162.db2.gz	KNFJWZTZEBNRMD-UWVGGRQHSA-N	-1	0	278.312	0.791	20	30		CCEDRM
C[C@@H](C#N)C(=O)N(C)[C@@H](C)CNc1ncc(C(=O)[O-])cn1	ZINC001589323641	986147646	/nfs/dbraw/zinc/14/76/46/986147646.db2.gz	IRCZFIUOUDDNTG-IUCAKERBSA-N	-1	0	291.311	0.593	20	30		CCEDRM
C[C@@H](C#N)C(=O)N(C)CCNc1ncc(C(=O)[O-])cn1	ZINC001589324168	986154376	/nfs/dbraw/zinc/15/43/76/986154376.db2.gz	WSKNGUURTDRGRM-QMMMGPOBSA-N	-1	0	277.284	0.205	20	30		CCEDRM
C[C@H](C#N)CN(C)C(=O)C(=O)Nc1ccccc1C(=O)[O-]	ZINC001589328678	986158896	/nfs/dbraw/zinc/15/88/96/986158896.db2.gz	GLTSIZFFLMWEEX-SECBINFHSA-N	-1	0	289.291	0.941	20	30		CCEDRM
C[C@H]1CN=C(NN=Cc2cc(C(=O)[O-])ccc2O)N1	ZINC001594585289	986476382	/nfs/dbraw/zinc/47/63/82/986476382.db2.gz	XWSJHLJKWQOLDZ-ZETCQYMHSA-N	-1	0	262.269	0.362	20	30		CCEDRM
C[C@@H](C(=O)NCc1ccccc1C(=O)[O-])n1cnc(C#N)n1	ZINC001589416240	986653109	/nfs/dbraw/zinc/65/31/09/986653109.db2.gz	UDZAGCOTKSDFIW-VIFPVBQESA-N	-1	0	299.290	0.725	20	30		CCEDRM
C[C@H]1Cc2cn[nH]c2[C@H](C(=O)N(CC#N)CC(=O)[O-])C1	ZINC001594623437	986675626	/nfs/dbraw/zinc/67/56/26/986675626.db2.gz	CLTPXBKOXPFPAF-WCBMZHEXSA-N	-1	0	276.296	0.512	20	30		CCEDRM
CCS(=O)(=O)CCCNc1ccc(C(=O)[O-])nc1C#N	ZINC001597209145	987121431	/nfs/dbraw/zinc/12/14/31/987121431.db2.gz	BLZVVHOAPRBWKG-UHFFFAOYSA-N	-1	0	297.336	0.888	20	30		CCEDRM
CC[C@@H](C#N)C(=O)N1CC[C@H](n2cc(C(=O)[O-])nn2)C1	ZINC001594722663	987214916	/nfs/dbraw/zinc/21/49/16/987214916.db2.gz	SHDRSARCEVRELK-IUCAKERBSA-N	-1	0	277.284	0.299	20	30		CCEDRM
CC(C)(C#N)CC(=O)Nc1ccn(CC(=O)[O-])n1	ZINC001589553574	987291402	/nfs/dbraw/zinc/29/14/02/987291402.db2.gz	DXXKCUDVUSXYTF-UHFFFAOYSA-N	-1	0	250.258	0.846	20	30		CCEDRM
CSC[C@@](C)(C#N)NC(=O)Cn1ccc(C(=O)[O-])n1	ZINC001599790253	987994776	/nfs/dbraw/zinc/99/47/76/987994776.db2.gz	WJERLHOBMXQWRM-LLVKDONJSA-N	-1	0	282.325	0.343	20	30		CCEDRM
C[C@@H](C#N)NS(=O)(=O)c1ccc(CC(=O)[O-])c(F)c1	ZINC001599830482	988665046	/nfs/dbraw/zinc/66/50/46/988665046.db2.gz	XOERGAGDVZBTIS-ZETCQYMHSA-N	-1	0	286.284	0.643	20	30		CCEDRM
C[C@@H]1CN(S(=O)(=O)c2ccc(C#N)o2)C[C@H]1CC(=O)[O-]	ZINC001599868436	989309222	/nfs/dbraw/zinc/30/92/22/989309222.db2.gz	QHGUXPMEMZSGEH-RKDXNWHRSA-N	-1	0	298.320	0.883	20	30		CCEDRM
CC(C)(C)OC(=O)N[C@H](CCCC#N)C(=O)NCC(=O)[O-]	ZINC001590124412	989351003	/nfs/dbraw/zinc/35/10/03/989351003.db2.gz	MVIQFNDMUJKIMM-SECBINFHSA-N	-1	0	299.327	0.774	20	30		CCEDRM
CN([C@@H](C(=O)[O-])c1ccc(C#N)cc1)[C@@H]1COC[C@H]1O	ZINC001598103732	990476287	/nfs/dbraw/zinc/47/62/87/990476287.db2.gz	RFUXYFIKZXEDJR-JHJVBQTASA-N	-1	0	276.292	0.375	20	30		CCEDRM
CC(C)(CS(=O)(=O)N1CCC[C@@H](C#N)C1)C(=O)[O-]	ZINC001590788986	990611244	/nfs/dbraw/zinc/61/12/44/990611244.db2.gz	LRODTHCBANFTFU-VIFPVBQESA-N	-1	0	274.342	0.663	20	30		CCEDRM
CC(C)[C@](C)(C#N)NC(=O)c1cc(C(=O)[O-])nn1C	ZINC001590960893	991055807	/nfs/dbraw/zinc/05/58/07/991055807.db2.gz	KHSSYQSNGYGYHD-LBPRGKRZSA-N	-1	0	264.285	0.786	20	30		CCEDRM
COc1ccccc1[C@H](O)C(=O)N(CC#N)CCC(=O)[O-]	ZINC001599700750	991214655	/nfs/dbraw/zinc/21/46/55/991214655.db2.gz	AGRZEQPZZFSCJN-ZDUSSCGKSA-N	-1	0	292.291	0.555	20	30		CCEDRM
CS(=O)(=O)[C@H]1C[C@H](Nc2ccc(C(=O)[O-])nc2C#N)C1	ZINC001599761905	992133586	/nfs/dbraw/zinc/13/35/86/992133586.db2.gz	CCGPQAJWJAFSIB-ZKCHVHJHSA-N	-1	0	295.320	0.639	20	30		CCEDRM
CC(C)C[C@H](NC(=O)CNc1cc(C#N)cnn1)C(=O)[O-]	ZINC001591462939	992575724	/nfs/dbraw/zinc/57/57/24/992575724.db2.gz	SIOCRKWOZPUYNN-JTQLQIEISA-N	-1	0	291.311	0.376	20	30		CCEDRM
COc1ccc(F)cc1CC(=O)N(CC#N)CC(=O)[O-]	ZINC001599583510	993582218	/nfs/dbraw/zinc/58/22/18/993582218.db2.gz	USGFGMZKVWWKMI-UHFFFAOYSA-N	-1	0	280.255	0.814	20	30		CCEDRM
C[C@@H](O)CN(C)N=Cc1cccn1[C@H](C)C(=O)[O-]	ZINC001593456400	995357633	/nfs/dbraw/zinc/35/76/33/995357633.db2.gz	FUOTZUBRNPBLLI-NXEZZACHSA-N	-1	0	253.302	0.780	20	30		CCEDRM
COC(=O)[C@@H]1C[C@@H](C(=O)[O-])CCN1CC1(C#N)CC1	ZINC001598749974	995639431	/nfs/dbraw/zinc/63/94/31/995639431.db2.gz	JHQRLSRYOFKPGW-UWVGGRQHSA-N	-1	0	266.297	0.628	20	30		CCEDRM
COC(=O)[C@@H]1CCN(C(=O)C#CC(C)(C)C)[C@H](C(=O)[O-])C1	ZINC001598790758	996070923	/nfs/dbraw/zinc/07/09/23/996070923.db2.gz	SMAXVPOFBMZFPQ-MNOVXSKESA-N	-1	0	295.335	0.901	20	30		CCEDRM
COC(=O)[C@@H]1CN(C(=O)CCCCC#N)C[C@@H]1C(=O)[O-]	ZINC001598810869	996230257	/nfs/dbraw/zinc/23/02/57/996230257.db2.gz	MGKANVKUTYQKLA-VHSXEESVSA-N	-1	0	282.296	0.403	20	30		CCEDRM
C[C@]1(C#N)CN(C(=O)NCCCCCC(=O)[O-])CCO1	ZINC001593742739	996362046	/nfs/dbraw/zinc/36/20/46/996362046.db2.gz	CNRMWRORCHXLNO-ZDUSSCGKSA-N	-1	0	283.328	0.955	20	30		CCEDRM
CC1(C#N)CCN(S(=O)(=O)C2(C(=O)[O-])CCC2)CC1	ZINC001593743237	996366551	/nfs/dbraw/zinc/36/65/51/996366551.db2.gz	SZOVORPKYLXDFM-UHFFFAOYSA-N	-1	0	286.353	0.949	20	30		CCEDRM
COC(=O)[C@H]1CN(c2cccnc2C#N)C[C@H]1C(=O)[O-]	ZINC001598826545	996388797	/nfs/dbraw/zinc/38/87/97/996388797.db2.gz	IZMNTEZEPQDJNR-BDAKNGLRSA-N	-1	0	275.264	0.263	20	30		CCEDRM
COC(=O)[C@H]1CN(c2cc(C#N)ccn2)C[C@@H]1C(=O)[O-]	ZINC001598827956	996405008	/nfs/dbraw/zinc/40/50/08/996405008.db2.gz	OVYKHQBPKFRNAE-UWVGGRQHSA-N	-1	0	275.264	0.263	20	30		CCEDRM
COC(=O)[C@H]1CN(c2nccc(C)c2C#N)C[C@H]1C(=O)[O-]	ZINC001598829186	996417463	/nfs/dbraw/zinc/41/74/63/996417463.db2.gz	TVNCCTZYRBSFCS-MNOVXSKESA-N	-1	0	289.291	0.572	20	30		CCEDRM
CC1(C(=O)[O-])CN(C(=O)CNc2ccc(C#N)cn2)C1	ZINC001593802835	996530795	/nfs/dbraw/zinc/53/07/95/996530795.db2.gz	LQEXCDGMKJVXBJ-UHFFFAOYSA-N	-1	0	274.280	0.298	20	30		CCEDRM
COCc1cc(C(=O)[O-])cc(S(=O)(=O)N(C)CC#N)c1	ZINC001599278826	996858547	/nfs/dbraw/zinc/85/85/47/996858547.db2.gz	KBKWQJPDVQKKID-UHFFFAOYSA-N	-1	0	298.320	0.675	20	30		CCEDRM
COC[C@@H](OC(=O)c1ccc(C#N)s1)C(=O)[O-]	ZINC001599185665	997021340	/nfs/dbraw/zinc/02/13/40/997021340.db2.gz	VKTXSTCUEBMUEQ-SSDOTTSWSA-N	-1	0	255.251	0.876	20	30		CCEDRM
COC(=O)[C@@H](CCC(=O)[O-])NC(=O)c1cc(C#N)cs1	ZINC001598893413	997032955	/nfs/dbraw/zinc/03/29/55/997032955.db2.gz	VUCUFXHHYBUNSC-MRVPVSSYSA-N	-1	0	296.304	0.756	20	30		CCEDRM
COCC[C@@](C)(C#N)NC(=O)[C@H]1C[C@@H](C)[C@H](C(=O)[O-])O1	ZINC001599206942	997425125	/nfs/dbraw/zinc/42/51/25/997425125.db2.gz	FKDITKOPJNAXRW-PRFIWBCESA-N	-1	0	284.312	0.300	20	30		CCEDRM
COCC[C@@](C)(C#N)NC(=O)c1cc(C(=O)[O-])ccn1	ZINC001599207934	997444948	/nfs/dbraw/zinc/44/49/48/997444948.db2.gz	VVKBZWGZZMURAH-ZDUSSCGKSA-N	-1	0	277.280	0.828	20	30		CCEDRM
COc1ccc([C@H](NC(=O)[C@@H]2C[C@@H]2C#N)C(=O)[O-])cc1O	ZINC001599522424	997504061	/nfs/dbraw/zinc/50/40/61/997504061.db2.gz	QWVYVYOVWXGKPI-LNLATYFQSA-N	-1	0	290.275	0.802	20	30		CCEDRM
CO[C@@H]1CCN(C(=O)CSCC#N)[C@@H](C(=O)[O-])C1	ZINC001599118968	997704809	/nfs/dbraw/zinc/70/48/09/997704809.db2.gz	IWSWLWBUEFIMNL-RKDXNWHRSA-N	-1	0	272.326	0.334	20	30		CCEDRM
COc1ccc(CC(=O)N(CC#N)CC(=O)[O-])cc1O	ZINC001599547697	997951481	/nfs/dbraw/zinc/95/14/81/997951481.db2.gz	YMKBNWQRCAGTCR-UHFFFAOYSA-N	-1	0	278.264	0.380	20	30		CCEDRM
COCCN(CCC(=O)[O-])C(=O)c1cccc(C#N)n1	ZINC001599236242	997951675	/nfs/dbraw/zinc/95/16/75/997951675.db2.gz	BIQQHEJHOHCICT-UHFFFAOYSA-N	-1	0	277.280	0.517	20	30		CCEDRM
COCC#CC(=O)N[C@H](CC1CCOCC1)C(=O)[O-]	ZINC001599138087	998079081	/nfs/dbraw/zinc/07/90/81/998079081.db2.gz	HKJPJVZWBVBTFH-LLVKDONJSA-N	-1	0	269.297	0.022	20	30		CCEDRM
COCCOC(=O)CSc1ccc(C(=O)[O-])nc1C#N	ZINC001599246141	998146671	/nfs/dbraw/zinc/14/66/71/998146671.db2.gz	JKNTYOZROVZBJA-UHFFFAOYSA-N	-1	0	296.304	0.933	20	30		CCEDRM
COC[C@H](C#N)OC(=O)c1cc(C(=O)[O-])oc1C	ZINC001599143856	998178667	/nfs/dbraw/zinc/17/86/67/998178667.db2.gz	INAWDMHEWRNZOS-ZETCQYMHSA-N	-1	0	253.210	0.982	20	30		CCEDRM
COC[C@@](C)(NCC(=O)N[C@@](C)(C#N)C(C)C)C(=O)[O-]	ZINC001599154338	998344348	/nfs/dbraw/zinc/34/43/48/998344348.db2.gz	KWIZFQRXENKZCT-QWHCGFSZSA-N	-1	0	285.344	0.120	20	30		CCEDRM
C[C@H]1[C@H](C(=O)[O-])CCN1C(=O)C(=O)NCCCCC#N	ZINC001594138342	998404074	/nfs/dbraw/zinc/40/40/74/998404074.db2.gz	KATKBFKHVMPLNM-VHSXEESVSA-N	-1	0	281.312	0.118	20	30		CCEDRM
C[C@@H]1C[C@@H](C)[C@H](C(=O)N(CC#N)CCC(=O)[O-])O1	ZINC001594217745	998839680	/nfs/dbraw/zinc/83/96/80/998839680.db2.gz	YDGRYYVRAPBONZ-FXPVBKGRSA-N	-1	0	254.286	0.627	20	30		CCEDRM
CO[C@@H](C(=O)N(CC#N)CC(=O)[O-])c1ccc(F)cc1	ZINC001599024697	999007941	/nfs/dbraw/zinc/00/79/41/999007941.db2.gz	RLXLVNUBDLMEOO-GFCCVEGCSA-N	-1	0	280.255	0.950	20	30		CCEDRM
COC(OC)[C@@H](C)NC(=O)N1CCC(C#N)(C(=O)[O-])CC1	ZINC001599061770	999270814	/nfs/dbraw/zinc/27/08/14/999270814.db2.gz	NYMUFDSLFWRGPE-SECBINFHSA-N	-1	0	299.327	0.394	20	30		CCEDRM
COC1(C(=O)N2CCC(C#N)(C(=O)[O-])CC2)CCOCC1	ZINC001599061896	999271873	/nfs/dbraw/zinc/27/18/73/999271873.db2.gz	HJHUMXXTSMRREI-UHFFFAOYSA-N	-1	0	296.323	0.399	20	30		CCEDRM
CC[C@H](NN=Cc1cc(C(N)=O)cs1)C(=O)[O-]	ZINC000793056559	581282562	/nfs/dbraw/zinc/28/25/62/581282562.db2.gz	VUBJCXNULFTIFU-QMMMGPOBSA-N	-1	0	255.299	0.634	20	30		CCEDRM
CC[C@H](CC#N)NC(=O)c1ccc([N-]S(C)(=O)=O)nc1	ZINC000599760247	361807493	/nfs/dbraw/zinc/80/74/93/361807493.db2.gz	MPQUWLPJAJRABD-SNVBAGLBSA-N	-1	0	296.352	0.875	20	30		CCEDRM
N#Cc1ccc(CS(=O)(=O)NCCOCC(=O)[O-])cc1	ZINC000093228373	349532842	/nfs/dbraw/zinc/53/28/42/349532842.db2.gz	LAOCWJBLYOLZLH-UHFFFAOYSA-N	-1	0	298.320	0.079	20	30		CCEDRM
CNC(=O)c1ccc(C(=O)Nc2nc(C#N)c(C#N)[n-]2)cn1	ZINC000343815500	290626173	/nfs/dbraw/zinc/62/61/73/290626173.db2.gz	AHIROOIHFSKADZ-UHFFFAOYSA-N	-1	0	295.262	0.160	20	30		CCEDRM
N#Cc1ccc(N2CCO[C@@H](C(=O)[O-])C2)cc1[N+](=O)[O-]	ZINC000094592495	349571309	/nfs/dbraw/zinc/57/13/09/349571309.db2.gz	XGIZMZDRVGJCAT-LLVKDONJSA-N	-1	0	277.236	0.756	20	30		CCEDRM
Cc1cn2c(n1)C[C@@H](C(=O)Nc1nc(C#N)c(C#N)[n-]1)CC2	ZINC000600816597	362067966	/nfs/dbraw/zinc/06/79/66/362067966.db2.gz	PFSOMCJNTCNHFB-VIFPVBQESA-N	-1	0	295.306	0.859	20	30		CCEDRM
CC1(C)CN(S(=O)(=O)CCCC#N)[C@@H]1C(=O)[O-]	ZINC000600892358	362089409	/nfs/dbraw/zinc/08/94/09/362089409.db2.gz	NFNFWDISVBTZCB-MRVPVSSYSA-N	-1	0	260.315	0.415	20	30		CCEDRM
Cc1nn2c(S[C@H](C#N)C3CC3)n[n-]c2nc1=O	ZINC000601075681	362144576	/nfs/dbraw/zinc/14/45/76/362144576.db2.gz	HDWBRPSDOKRKLF-SSDOTTSWSA-N	-1	0	262.298	0.515	20	30		CCEDRM
Cc1nn2c(S[C@@H](C#N)C3CC3)n[n-]c2nc1=O	ZINC000601075682	362145903	/nfs/dbraw/zinc/14/59/03/362145903.db2.gz	HDWBRPSDOKRKLF-ZETCQYMHSA-N	-1	0	262.298	0.515	20	30		CCEDRM
CC(C)C[C@H](NS(=O)(=O)c1ccc(C#N)nc1)C(=O)[O-]	ZINC000127115160	187283050	/nfs/dbraw/zinc/28/30/50/187283050.db2.gz	JXCUYVRTTKXIKI-NSHDSACASA-N	-1	0	297.336	0.731	20	30		CCEDRM
C[C@@H](NS(=O)(=O)CC1(C#N)CC1)[C@H](O)C(F)(F)F	ZINC000601524648	362300118	/nfs/dbraw/zinc/30/01/18/362300118.db2.gz	UXJYSYPHTMWOCN-RQJHMYQMSA-N	-1	0	286.275	0.521	20	30		CCEDRM
C=CCSCCNC(=O)[C@H](C)O[C@@H](C)C(=O)[O-]	ZINC000602008558	362456165	/nfs/dbraw/zinc/45/61/65/362456165.db2.gz	LTLJGASKIIJZAU-IUCAKERBSA-N	-1	0	261.343	0.900	20	30		CCEDRM
N#Cc1c(NCCOCC(=O)[O-])nc2ccccn21	ZINC000602011430	362456896	/nfs/dbraw/zinc/45/68/96/362456896.db2.gz	MEPIAYANSKPIIT-UHFFFAOYSA-N	-1	0	260.253	0.719	20	30		CCEDRM
C[C@H]1CCCCN1C(=O)Cn1cc(C#N)c(=O)[n-]c1=O	ZINC000602029878	362464180	/nfs/dbraw/zinc/46/41/80/362464180.db2.gz	KFOJZUCRTLCZML-VIFPVBQESA-N	-1	0	276.296	0.222	20	30		CCEDRM
CCCN(CC)C(=O)Cn1cc(C#N)c(=O)[n-]c1=O	ZINC000602055608	362469462	/nfs/dbraw/zinc/46/94/62/362469462.db2.gz	AISYHYHVQOQWHT-UHFFFAOYSA-N	-1	0	264.285	0.079	20	30		CCEDRM
N#C[C@@]1(F)CCN(C(=O)NCCCCC(=O)[O-])C1	ZINC000602094835	362484216	/nfs/dbraw/zinc/48/42/16/362484216.db2.gz	XPAQRILTGMYKRX-NSHDSACASA-N	-1	0	257.265	0.888	20	30		CCEDRM
CC[C@H](C)CN(C)C(=O)CCn1cc(C#N)c(=O)[n-]c1=O	ZINC000602099691	362487170	/nfs/dbraw/zinc/48/71/70/362487170.db2.gz	ZISBVYNWUDDMMF-JTQLQIEISA-N	-1	0	292.339	0.715	20	30		CCEDRM
CC1=CCCN(C(=O)CCn2cc(C#N)c(=O)[n-]c2=O)C1	ZINC000602148366	362525118	/nfs/dbraw/zinc/52/51/18/362525118.db2.gz	KVROFAUMIFMZBD-UHFFFAOYSA-N	-1	0	288.307	0.389	20	30		CCEDRM
CC(C)(CN1CCOCC1)C(=O)N=c1[nH][n-]cc1C#N	ZINC000602162539	362536275	/nfs/dbraw/zinc/53/62/75/362536275.db2.gz	CNUVZZZSBMSZGK-UHFFFAOYSA-N	-1	0	277.328	0.000	20	30		CCEDRM
Cn1cc(C#N)c(=NC(=O)c2ncc3n2CCCC3)[n-]1	ZINC000602279065	362574078	/nfs/dbraw/zinc/57/40/78/362574078.db2.gz	BHEODEMEEJSJBA-UHFFFAOYSA-N	-1	0	270.296	0.499	20	30		CCEDRM
COc1cncc(C(=O)N=c2[n-]n(C)c(C)c2C#N)c1C	ZINC000602350013	362594287	/nfs/dbraw/zinc/59/42/87/362594287.db2.gz	XWYJHBJITKSJOZ-UHFFFAOYSA-N	-1	0	285.307	0.986	20	30		CCEDRM
C[C@@H]1C[C@H](C(=O)[O-])CN(S(=O)(=O)c2ccc(C#N)o2)C1	ZINC000263282147	137062444	/nfs/dbraw/zinc/06/24/44/137062444.db2.gz	XLEGQIAKPVNSTB-BDAKNGLRSA-N	-1	0	298.320	0.883	20	30		CCEDRM
C[C@@](O)(CNc1cc(C#N)ccc1[N+](=O)[O-])C(=O)[O-]	ZINC000263569681	137069036	/nfs/dbraw/zinc/06/90/36/137069036.db2.gz	ZNFSREVEPMVCNV-LLVKDONJSA-N	-1	0	265.225	0.714	20	30		CCEDRM
N#Cc1ccc(S(=O)(=O)N=c2nc3ccccn3[n-]2)o1	ZINC000342465210	137095438	/nfs/dbraw/zinc/09/54/38/137095438.db2.gz	LPVBIGUGUPDBPV-UHFFFAOYSA-N	-1	0	289.276	0.417	20	30		CCEDRM
N#Cc1ncn(CCN=c2[n-]nc(-c3ccon3)s2)n1	ZINC000343516576	137139632	/nfs/dbraw/zinc/13/96/32/137139632.db2.gz	IYLCMUSGJVVQGS-UHFFFAOYSA-N	-1	0	288.296	0.190	20	30		CCEDRM
N#Cc1nc(NC(=O)CCNC(=O)c2ccco2)[n-]c1C#N	ZINC000026275299	348093651	/nfs/dbraw/zinc/09/36/51/348093651.db2.gz	IWCAVPLBTIKLQV-UHFFFAOYSA-N	-1	0	298.262	0.505	20	30		CCEDRM
Cn1cc(C#N)c(=NC(=O)N2CC[C@@H]3OCC[C@@H]3C2)[n-]1	ZINC000602884702	362863455	/nfs/dbraw/zinc/86/34/55/362863455.db2.gz	CDPFSWURWJGPDV-KOLCDFICSA-N	-1	0	275.312	0.356	20	30		CCEDRM
CCN(C(=O)N=c1[n-]n(C)cc1C#N)[C@H]1CC[N@H+](C)C1	ZINC000602886049	362865232	/nfs/dbraw/zinc/86/52/32/362865232.db2.gz	IQWCGRYXFPAOSK-NSHDSACASA-N	-1	0	276.344	0.272	20	30		CCEDRM
Cn1cc(C#N)c(=NC(=O)N2CC[C@H]3COC[C@H]3C2)[n-]1	ZINC000602885516	362865332	/nfs/dbraw/zinc/86/53/32/362865332.db2.gz	FVRXXUWVCRJJLP-GXSJLCMTSA-N	-1	0	275.312	0.214	20	30		CCEDRM
CCn1cc(S(=O)(=O)NC[C@H](C)C#N)cc1C(=O)[O-]	ZINC000054156630	348544079	/nfs/dbraw/zinc/54/40/79/348544079.db2.gz	SHVIURIKAZSWDI-MRVPVSSYSA-N	-1	0	285.325	0.644	20	30		CCEDRM
CN(CCC(=O)[O-])S(=O)(=O)c1ccc(F)c(C#N)c1	ZINC000070533187	348892071	/nfs/dbraw/zinc/89/20/71/348892071.db2.gz	PBLHEOZKGIDLMZ-UHFFFAOYSA-N	-1	0	286.284	0.793	20	30		CCEDRM
N#Cc1cccc(N2CCO[C@H](C(=O)[O-])C2)c1[N+](=O)[O-]	ZINC000125768498	350129360	/nfs/dbraw/zinc/12/93/60/350129360.db2.gz	YCGFJCLMRRQWLK-JTQLQIEISA-N	-1	0	277.236	0.756	20	30		CCEDRM
Cc1cc(C#N)ccc1C(=O)NCc1n[nH]c(=O)[n-]1	ZINC000127294000	350165777	/nfs/dbraw/zinc/16/57/77/350165777.db2.gz	XEFXDSJLUPTQKA-UHFFFAOYSA-N	-1	0	257.253	0.208	20	30		CCEDRM
N#Cc1ccc(NC(=O)NCc2n[nH]c(=O)[n-]2)cc1Cl	ZINC000128578981	350195314	/nfs/dbraw/zinc/19/53/14/350195314.db2.gz	ARBFMJSRNHHDDB-UHFFFAOYSA-N	-1	0	292.686	0.945	20	30		CCEDRM
N#Cc1nc(NC(=O)CCCCc2c[nH]nn2)[n-]c1C#N	ZINC000138930666	350444394	/nfs/dbraw/zinc/44/43/94/350444394.db2.gz	XSVGGLFZMBVDKV-UHFFFAOYSA-N	-1	0	284.283	0.623	20	30		CCEDRM
N#Cc1cccc(CS(=O)(=O)NC2(C(=O)[O-])CCC2)c1	ZINC000164919184	350784747	/nfs/dbraw/zinc/78/47/47/350784747.db2.gz	PTKQIZCJVQYLJY-UHFFFAOYSA-N	-1	0	294.332	0.985	20	30		CCEDRM
Cc1nc([N-]S(=O)(=O)c2ccc(C#N)nc2)no1	ZINC000180188703	351280725	/nfs/dbraw/zinc/28/07/25/351280725.db2.gz	DPLWDUKQVBHLDX-UHFFFAOYSA-N	-1	0	265.254	0.446	20	30		CCEDRM
C[C@H](CC(=O)[O-])NS(=O)(=O)c1ccc(C#N)s1	ZINC000230323441	352111519	/nfs/dbraw/zinc/11/15/19/352111519.db2.gz	DBFSSRJWZNHYQK-ZCFIWIBFSA-N	-1	0	274.323	0.761	20	30		CCEDRM
C=CCCS(=O)(=O)N[C@H](CCSC)C(=O)[O-]	ZINC000274878466	353169609	/nfs/dbraw/zinc/16/96/09/353169609.db2.gz	CEHFDOBQMKLEKQ-MRVPVSSYSA-N	-1	0	267.372	0.688	20	30		CCEDRM
CC(C)CO[N-]C(=O)CNC(=O)c1ccc(C#N)cc1	ZINC000153502942	188086605	/nfs/dbraw/zinc/08/66/05/188086605.db2.gz	SZLAAGPSZRGECY-UHFFFAOYSA-N	-1	0	275.308	0.992	20	30		CCEDRM
CC(C)(C)[C@@H](NS(=O)(=O)c1cncc(C#N)c1)C(=O)[O-]	ZINC000290717648	353744738	/nfs/dbraw/zinc/74/47/38/353744738.db2.gz	UOZGAAUBEDYVDN-JTQLQIEISA-N	-1	0	297.336	0.731	20	30		CCEDRM
CC1(C#N)CCN(S(=O)(=O)c2ncc[n-]2)CC1	ZINC000310302702	354189343	/nfs/dbraw/zinc/18/93/43/354189343.db2.gz	URTGKCVPPABBTJ-UHFFFAOYSA-N	-1	0	254.315	0.724	20	30		CCEDRM
N#Cc1ccc(C(=O)NCCc2nc(=O)o[n-]2)cc1Cl	ZINC000619130742	366199511	/nfs/dbraw/zinc/19/95/11/366199511.db2.gz	KFMHACZDNYBSFR-UHFFFAOYSA-N	-1	0	292.682	0.860	20	30		CCEDRM
Cc1cccc(CCNC(=O)N=c2[n-]n(C)cc2C#N)n1	ZINC000619320073	366236062	/nfs/dbraw/zinc/23/60/62/366236062.db2.gz	FMXMBRWKRMLUCN-UHFFFAOYSA-N	-1	0	284.323	0.781	20	30		CCEDRM
Cc1n[n-]c(=NC(=O)c2ccc(C#N)cc2C)n1C	ZINC000345395972	355815968	/nfs/dbraw/zinc/81/59/68/355815968.db2.gz	SRGIVLNMPXISDD-UHFFFAOYSA-N	-1	0	255.281	0.978	20	30		CCEDRM
N#Cc1cnc(C(=O)NCc2n[nH]c(=O)[n-]2)c(Cl)c1	ZINC000428014837	235390022	/nfs/dbraw/zinc/39/00/22/235390022.db2.gz	BIDWSVAEOWCSBI-UHFFFAOYSA-N	-1	0	278.659	0.360	20	30		CCEDRM
CS(=O)(=O)c1nc(NC(=O)c2ccc(C#N)cc2)n[n-]1	ZINC000352747247	356069493	/nfs/dbraw/zinc/06/94/93/356069493.db2.gz	DQKGXCBOGDJMHP-UHFFFAOYSA-N	-1	0	291.292	0.332	20	30		CCEDRM
COc1cncc(S(=O)(=O)[N-]c2ncc(C#N)s2)c1	ZINC000619622818	366303145	/nfs/dbraw/zinc/30/31/45/366303145.db2.gz	HLXOZNQQNUTHRS-UHFFFAOYSA-N	-1	0	296.333	0.641	20	30		CCEDRM
COCc1nc(=NC(=O)c2cc(C#N)ccn2)s[n-]1	ZINC000355918155	356669709	/nfs/dbraw/zinc/66/97/09/356669709.db2.gz	AFVNCEUVTRRNPA-UHFFFAOYSA-N	-1	0	275.293	0.625	20	30		CCEDRM
N#CCc1cccc(S(=O)(=O)NC2(C(=O)[O-])CC2)c1	ZINC000619708630	366330239	/nfs/dbraw/zinc/33/02/39/366330239.db2.gz	JMTAMRLUXZVGBZ-UHFFFAOYSA-N	-1	0	280.305	0.648	20	30		CCEDRM
Cn1cc(C#N)c(=NC(=O)c2cc3c(cn2)OCCC3)[n-]1	ZINC000360044995	356939618	/nfs/dbraw/zinc/93/96/18/356939618.db2.gz	NRXXUEIQVYQWLM-UHFFFAOYSA-N	-1	0	283.291	0.686	20	30		CCEDRM
Cn1cc(C#N)c(=NC(=O)NCc2cccc(C#N)c2)[n-]1	ZINC000610560683	363575529	/nfs/dbraw/zinc/57/55/29/363575529.db2.gz	HWZZHMPRWOIISV-UHFFFAOYSA-N	-1	0	280.291	0.907	20	30		CCEDRM
CCOC(=O)CCCNC(=O)N=c1[n-]n(C)cc1C#N	ZINC000610564600	363578662	/nfs/dbraw/zinc/57/86/62/363578662.db2.gz	JPLKHJKGAGVCSG-UHFFFAOYSA-N	-1	0	279.300	0.178	20	30		CCEDRM
Cn1cc(C#N)c(=NC(=O)NC[C@@H]2CCC[C@@H](O)C2)[n-]1	ZINC000610564304	363579163	/nfs/dbraw/zinc/57/91/63/363579163.db2.gz	HEGWPQDNLSPYHJ-MWLCHTKSSA-N	-1	0	277.328	0.386	20	30		CCEDRM
C#Cc1ccccc1CC(=O)N1CCO[C@@H](c2nnn[n-]2)C1	ZINC000365987169	357182811	/nfs/dbraw/zinc/18/28/11/357182811.db2.gz	RKKODEGCLOCZKK-CYBMUJFWSA-N	-1	0	297.318	0.324	20	30		CCEDRM
Cn1cc(C#N)cc1C(=O)NC1(c2nnn[n-]2)CCCC1	ZINC000610579391	363581783	/nfs/dbraw/zinc/58/17/83/363581783.db2.gz	KGZRMNQOUFDXJQ-UHFFFAOYSA-N	-1	0	285.311	0.609	20	30		CCEDRM
N#Cc1cc(C(=O)N2CCC[C@H](c3n[nH]c(=O)[n-]3)C2)ccn1	ZINC000569852440	358800331	/nfs/dbraw/zinc/80/03/31/358800331.db2.gz	VMPCTDQYLUVIEF-JTQLQIEISA-N	-1	0	298.306	0.797	20	30		CCEDRM
C=C(C)CS(=O)(=O)N(CC(=O)[O-])C1CCOCC1	ZINC000572034074	358926454	/nfs/dbraw/zinc/92/64/54/358926454.db2.gz	PVJVKDWDGWCAOF-UHFFFAOYSA-N	-1	0	277.342	0.458	20	30		CCEDRM
C=CCOC[C@@H](NC(=O)N[C@H](CC)COC)C(=O)[O-]	ZINC000573781007	358998230	/nfs/dbraw/zinc/99/82/30/358998230.db2.gz	QBIFSSHUXZXZOR-NXEZZACHSA-N	-1	0	274.317	0.366	20	30		CCEDRM
N#Cc1c[n-]c(=O)n(CCCC2CCOCC2)c1=O	ZINC000573801645	359000752	/nfs/dbraw/zinc/00/07/52/359000752.db2.gz	HCJNGDGIUHEZKY-UHFFFAOYSA-N	-1	0	263.297	0.615	20	30		CCEDRM
C[C@H](CC#N)N(C)S(=O)(=O)N1CC([C@@H](C)C(=O)[O-])C1	ZINC000580776943	359093099	/nfs/dbraw/zinc/09/30/99/359093099.db2.gz	DUBLIHZXZZWUQT-RKDXNWHRSA-N	-1	0	289.357	0.118	20	30		CCEDRM
C=CCCCS(=O)(=O)N[C@H](C(=O)[O-])c1cnn(C)c1	ZINC000584696613	359192621	/nfs/dbraw/zinc/19/26/21/359192621.db2.gz	VKNJTZYOVXACQQ-JTQLQIEISA-N	-1	0	287.341	0.431	20	30		CCEDRM
Cc1cc(CNC(=O)N=c2[n-]n(C)cc2C#N)n(C)n1	ZINC000585797208	359277981	/nfs/dbraw/zinc/27/79/81/359277981.db2.gz	FCVFSXTWBKKFLK-UHFFFAOYSA-N	-1	0	273.300	0.077	20	30		CCEDRM
Cn1cc(C#N)c(=NC(=O)N2CCC[C@H]2[C@H]2CCCO2)[n-]1	ZINC000585797457	359278038	/nfs/dbraw/zinc/27/80/38/359278038.db2.gz	YMHRHOYHIIDTGF-NWDGAFQWSA-N	-1	0	289.339	0.889	20	30		CCEDRM
CNC(=O)C1(C(=O)N=c2[nH][n-]c(C3CC3)c2C#N)CCC1	ZINC000588769916	359335709	/nfs/dbraw/zinc/33/57/09/359335709.db2.gz	ANINQXXDZPPVET-UHFFFAOYSA-N	-1	0	287.323	0.435	20	30		CCEDRM
C=CC[C@@H](CO)NC(=O)NC[C@H](C(=O)[O-])C(C)C	ZINC000655893573	412683737	/nfs/dbraw/zinc/68/37/37/412683737.db2.gz	FZWFBPRLKPVLDS-UWVGGRQHSA-N	-1	0	258.318	0.579	20	30		CCEDRM
CN(C[C@@H]1CCC[C@@H]1O)C(=O)N=c1[n-]n(C)cc1C#N	ZINC000611112068	363660482	/nfs/dbraw/zinc/66/04/82/363660482.db2.gz	RZYHEUXVTUEEDE-ONGXEEELSA-N	-1	0	277.328	0.338	20	30		CCEDRM
N#Cc1cccc(C(=O)N2CCC[C@H](c3nnn[n-]3)C2)n1	ZINC000589460939	359384766	/nfs/dbraw/zinc/38/47/66/359384766.db2.gz	IENINQJKTXDNSS-VIFPVBQESA-N	-1	0	283.295	0.486	20	30		CCEDRM
N#Cc1cccc(C(=O)N2CCC[C@@H](c3nnn[n-]3)C2)n1	ZINC000589460936	359385063	/nfs/dbraw/zinc/38/50/63/359385063.db2.gz	IENINQJKTXDNSS-SECBINFHSA-N	-1	0	283.295	0.486	20	30		CCEDRM
Cc1nsc(N2CCO[C@@H](C(=O)[O-])C2)c1C#N	ZINC000591325398	359577765	/nfs/dbraw/zinc/57/77/65/359577765.db2.gz	NIMWWUXFLAVQTC-MRVPVSSYSA-N	-1	0	253.283	0.613	20	30		CCEDRM
C=CCCOCCNC(=O)N=c1[n-]n(C)cc1C#N	ZINC000611140982	363664346	/nfs/dbraw/zinc/66/43/46/363664346.db2.gz	RXRYCMDGHNJUFD-UHFFFAOYSA-N	-1	0	263.301	0.428	20	30		CCEDRM
COCc1nc(C(=O)N=c2[n-]n(C)c(C)c2C#N)cs1	ZINC000592645916	359908144	/nfs/dbraw/zinc/90/81/44/359908144.db2.gz	JWGVLGHLAQFPOJ-UHFFFAOYSA-N	-1	0	291.336	0.877	20	30		CCEDRM
C=C(C)CS(=O)(=O)N[C@@H](CCSC)C(=O)[O-]	ZINC000593252113	360056370	/nfs/dbraw/zinc/05/63/70/360056370.db2.gz	YEHZYBQNSNOTRE-QMMMGPOBSA-N	-1	0	267.372	0.688	20	30		CCEDRM
C=C(C)CS(=O)(=O)NCCSC[C@@H](C)C(=O)[O-]	ZINC000593274295	360059515	/nfs/dbraw/zinc/05/95/15/360059515.db2.gz	RSUARIRMQITVNG-SECBINFHSA-N	-1	0	281.399	0.936	20	30		CCEDRM
C[C@@H](C(=O)[O-])C1(NS(=O)(=O)CCCCC#N)CC1	ZINC000593274638	360059613	/nfs/dbraw/zinc/05/96/13/360059613.db2.gz	UITBFQZHQCZYOO-VIFPVBQESA-N	-1	0	274.342	0.853	20	30		CCEDRM
CNC(=O)c1ccc(=NC(=O)[C@]2(C#N)CC23CCCC3)[n-]n1	ZINC000593336616	360067155	/nfs/dbraw/zinc/06/71/55/360067155.db2.gz	KEPSUARYNHATFA-OAHLLOKOSA-N	-1	0	299.334	0.671	20	30		CCEDRM
C=CCCn1cc(C[S@@](=O)[C@@H](CC)C(=O)[O-])nn1	ZINC000593931318	360219390	/nfs/dbraw/zinc/21/93/90/360219390.db2.gz	INQBQFKRHCKUTD-XTZNXHDOSA-N	-1	0	271.342	0.966	20	30		CCEDRM
CCN(C[C@H](C)C#N)S(=O)(=O)N[C@@H](CCF)C(=O)[O-]	ZINC000594573221	360333015	/nfs/dbraw/zinc/33/30/15/360333015.db2.gz	LDXXSBATCNIHGN-BDAKNGLRSA-N	-1	0	295.336	0.115	20	30		CCEDRM
N#Cc1ccc(S(=O)(=O)N[C@@H](CCF)C(=O)[O-])cc1	ZINC000594573588	360333035	/nfs/dbraw/zinc/33/30/35/360333035.db2.gz	NYWSZCRKMJPBMI-JTQLQIEISA-N	-1	0	286.284	0.649	20	30		CCEDRM
C[C@H](NC(=O)N=c1[n-]n(C)cc1C#N)[C@@H]1CCCCO1	ZINC000611481074	363720431	/nfs/dbraw/zinc/72/04/31/363720431.db2.gz	VZXOUPMFXQWHCT-ONGXEEELSA-N	-1	0	277.328	0.793	20	30		CCEDRM
C[C@H](CNC(=O)C(=O)NCC1CCC(C#N)CC1)C(=O)[O-]	ZINC000594528475	360326010	/nfs/dbraw/zinc/32/60/10/360326010.db2.gz	BNYUQYYLPFSDMC-KPPDAEKUSA-N	-1	0	295.339	0.269	20	30		CCEDRM
C[C@@H](CNC(=O)C(=O)NCC1CCC(C#N)CC1)C(=O)[O-]	ZINC000594528481	360326669	/nfs/dbraw/zinc/32/66/69/360326669.db2.gz	BNYUQYYLPFSDMC-WHXUTIOJSA-N	-1	0	295.339	0.269	20	30		CCEDRM
CC(C)[C@H](CNC(=O)C(=O)NCC1(CC#N)CC1)C(=O)[O-]	ZINC000594531256	360327682	/nfs/dbraw/zinc/32/76/82/360327682.db2.gz	YTSZZULXWSINTN-JTQLQIEISA-N	-1	0	295.339	0.269	20	30		CCEDRM
C[C@@H]1OCCN(C(=O)N=c2[n-]n(C)cc2C#N)[C@H]1C	ZINC000611519416	363731789	/nfs/dbraw/zinc/73/17/89/363731789.db2.gz	BDOOLRJFDHKIOM-IUCAKERBSA-N	-1	0	263.301	0.355	20	30		CCEDRM
Cn1cc(C#N)c(=NC(=O)NCC[C@@H]2CCCCO2)[n-]1	ZINC000611557453	363738247	/nfs/dbraw/zinc/73/82/47/363738247.db2.gz	GKHIWSCCMNKZMQ-NSHDSACASA-N	-1	0	277.328	0.794	20	30		CCEDRM
CC(C)(CC#N)CNC(=O)C(=O)NCC1(C(=O)[O-])CCC1	ZINC000595275432	360473367	/nfs/dbraw/zinc/47/33/67/360473367.db2.gz	CYXGVUXZHPWXRI-UHFFFAOYSA-N	-1	0	295.339	0.414	20	30		CCEDRM
CN(CCC(=O)[O-])C(=O)CC1(C#N)CCOCC1	ZINC000595281462	360477484	/nfs/dbraw/zinc/47/74/84/360477484.db2.gz	LNSAWLCZVXEUQX-UHFFFAOYSA-N	-1	0	254.286	0.630	20	30		CCEDRM
N#Cc1ccc(NC[C@@H](C(=O)[O-])C2CCC2)nc1N	ZINC000595978281	360754636	/nfs/dbraw/zinc/75/46/36/360754636.db2.gz	SWWOBOBGRJCTGK-SNVBAGLBSA-N	-1	0	260.297	0.870	20	30		CCEDRM
Cc1nnc(N[C@@H]2C[C@H](C(=O)[O-])C[C@H]2O)c(C#N)c1C	ZINC000595980637	360755294	/nfs/dbraw/zinc/75/52/94/360755294.db2.gz	XDLDLCBRRPNFNI-JMJZKYOTSA-N	-1	0	276.296	0.601	20	30		CCEDRM
N#CCCCNC(=O)C(=O)NC[C@H](C(=O)[O-])C1CCC1	ZINC000596130013	360805992	/nfs/dbraw/zinc/80/59/92/360805992.db2.gz	LUASUYWLGIQDHL-JTQLQIEISA-N	-1	0	281.312	0.023	20	30		CCEDRM
N#Cc1cnnc(N2CCC(c3n[nH]c(=O)[n-]3)CC2)c1	ZINC000596223398	360842140	/nfs/dbraw/zinc/84/21/40/360842140.db2.gz	NPVIZFQSKHHYNS-UHFFFAOYSA-N	-1	0	271.284	0.556	20	30		CCEDRM
CN=c1[n-]nc(CC(=O)N2CCC[C@@H](CC#N)C2)s1	ZINC000597906111	361281133	/nfs/dbraw/zinc/28/11/33/361281133.db2.gz	UUUHRWFXYNAXBM-VIFPVBQESA-N	-1	0	279.369	0.696	20	30		CCEDRM
C=CCn1cc(C(=O)N2CCCCC[C@@H]2C(=O)[O-])nn1	ZINC000621569154	366795773	/nfs/dbraw/zinc/79/57/73/366795773.db2.gz	FBXRADOQLHBTDW-LLVKDONJSA-N	-1	0	278.312	0.934	20	30		CCEDRM
COc1cc(CNC(=O)N2CC(C(=O)[O-])C2)ccc1C#N	ZINC000598684497	361483124	/nfs/dbraw/zinc/48/31/24/361483124.db2.gz	ROIGEKZWNQHYHW-UHFFFAOYSA-N	-1	0	289.291	0.793	20	30		CCEDRM
Cc1[n-][nH]c(=NC(=O)c2cnc3n2CCC3)c1C#N	ZINC000598701145	361490329	/nfs/dbraw/zinc/49/03/29/361490329.db2.gz	RAEDDJGPHREYNN-UHFFFAOYSA-N	-1	0	256.269	0.407	20	30		CCEDRM
N#Cc1cccc(CS(=O)(=O)[N-]CC(F)(F)CO)c1	ZINC000184302688	189382509	/nfs/dbraw/zinc/38/25/09/189382509.db2.gz	LJGLYDKYOFZIBI-UHFFFAOYSA-N	-1	0	290.291	0.605	20	30		CCEDRM
C=CCCCC[N-]S(=O)(=O)c1nn(C)cc1[N+](=O)[O-]	ZINC000599281736	361632152	/nfs/dbraw/zinc/63/21/52/361632152.db2.gz	KCRNSGLSFFTKJE-UHFFFAOYSA-N	-1	0	288.329	0.963	20	30		CCEDRM
Cn1cc(C#N)c(=NC(=O)N[C@@]2(C)CCO[C@H]2C2CC2)[n-]1	ZINC000612313732	363883035	/nfs/dbraw/zinc/88/30/35/363883035.db2.gz	XVUUOAQBBSWDNH-FZMZJTMJSA-N	-1	0	289.339	0.793	20	30		CCEDRM
Cn1cc(C#N)c(=NC(=O)N[C@H](CO)c2ccsc2)[n-]1	ZINC000613772640	364367370	/nfs/dbraw/zinc/36/73/70/364367370.db2.gz	FKMOVCYASLLVTI-SNVBAGLBSA-N	-1	0	291.336	0.630	20	30		CCEDRM
Cn1cc(C#N)c(=NC(=O)c2coc(C3CC3)n2)[n-]1	ZINC000614416140	364599335	/nfs/dbraw/zinc/59/93/35/364599335.db2.gz	WINPNGGHTSEXNF-UHFFFAOYSA-N	-1	0	257.253	0.831	20	30		CCEDRM
CC[C@@]1(O)CCN(C(=O)N=c2[n-]n(C)cc2C#N)C1	ZINC000614688604	364699018	/nfs/dbraw/zinc/69/90/18/364699018.db2.gz	SBCZAGMTSSUNAS-GFCCVEGCSA-N	-1	0	263.301	0.092	20	30		CCEDRM
Cc1n[n-]c(=NC(=O)N2CC[C@](F)(C#N)C2)s1	ZINC000615521673	364992250	/nfs/dbraw/zinc/99/22/50/364992250.db2.gz	DXZIPHIWFNIEEN-VIFPVBQESA-N	-1	0	255.278	0.738	20	30		CCEDRM
Cc1cc(=NC(=O)N2CC[C@](F)(C#N)C2)[n-]nc1C	ZINC000615535634	364994859	/nfs/dbraw/zinc/99/48/59/364994859.db2.gz	UOTSIAPMCFEVQG-LBPRGKRZSA-N	-1	0	263.276	0.985	20	30		CCEDRM
C=CC(C)(C)CNC(=O)c1cc(S(N)(=O)=O)ccc1[O-]	ZINC000615832493	365100351	/nfs/dbraw/zinc/10/03/51/365100351.db2.gz	ZARVLZAJRRPWCW-UHFFFAOYSA-N	-1	0	298.364	0.982	20	30		CCEDRM
N#Cc1cc(S(=O)(=O)[N-]N2CCCNC2=O)ccc1F	ZINC000275841745	193144857	/nfs/dbraw/zinc/14/48/57/193144857.db2.gz	FAJMKOTUFRUHLX-UHFFFAOYSA-N	-1	0	298.299	0.306	20	30		CCEDRM
C=CCOC[C@H](NC(=O)c1ccc(OC)cc1O)C(=O)[O-]	ZINC000622000598	366973956	/nfs/dbraw/zinc/97/39/56/366973956.db2.gz	ULZOPNPINQKOGA-NSHDSACASA-N	-1	0	295.291	0.786	20	30		CCEDRM
C=CC(C)(C)CCNC(=O)C(=O)N(C)C[C@H](C)C(=O)[O-]	ZINC000627280563	368943455	/nfs/dbraw/zinc/94/34/55/368943455.db2.gz	KACTVTZJMVQOHZ-JTQLQIEISA-N	-1	0	284.356	0.884	20	30		CCEDRM
C=CCOCC(=O)N1CCC[C@@H](c2n[nH]c(=O)[n-]2)C1	ZINC000574280072	335006580	/nfs/dbraw/zinc/00/65/80/335006580.db2.gz	FAVUWGDNBPMMDZ-SECBINFHSA-N	-1	0	266.301	0.419	20	30		CCEDRM
C=CC[C@H]1CCN(C(=O)c2n[nH]c(=O)[n-]c2=O)C1	ZINC000628489971	369276591	/nfs/dbraw/zinc/27/65/91/369276591.db2.gz	LXJCSIIPKWDGOI-ZETCQYMHSA-N	-1	0	250.258	0.321	20	30		CCEDRM
C=CCOC[C@H](NC(=O)C1CC(OC)C1)C(=O)[O-]	ZINC000630186523	369996034	/nfs/dbraw/zinc/99/60/34/369996034.db2.gz	UKSMHFMEXIEUFM-RTBKNWGFSA-N	-1	0	257.286	0.183	20	30		CCEDRM
C=CCOC[C@H](NC(=O)Cc1cccnc1)C(=O)[O-]	ZINC000630186291	369996234	/nfs/dbraw/zinc/99/62/34/369996234.db2.gz	MUYPZQWZEBGCCR-NSHDSACASA-N	-1	0	264.281	0.396	20	30		CCEDRM
C=C(C)C[C@H](NC(=O)CCc1nc(C)no1)C(=O)[O-]	ZINC000630318221	370046080	/nfs/dbraw/zinc/04/60/80/370046080.db2.gz	FQJMBAPSRPCFTR-VIFPVBQESA-N	-1	0	267.285	0.846	20	30		CCEDRM
C=C(C)[C@H]1OCC[C@H]1CNC(=O)C1(C(=O)[O-])CC1	ZINC000630302812	370037915	/nfs/dbraw/zinc/03/79/15/370037915.db2.gz	HWJHKCUFUQXEDL-VHSXEESVSA-N	-1	0	253.298	0.949	20	30		CCEDRM
C=C(C)C[C@H](NC(=O)COC[C@@H]1CCCO1)C(=O)[O-]	ZINC000630325791	370047798	/nfs/dbraw/zinc/04/77/98/370047798.db2.gz	LRYMKAGONBUMAC-QWRGUYRKSA-N	-1	0	271.313	0.718	20	30		CCEDRM
C=CCOC[C@@H](NC(=O)CCc1ccncc1)C(=O)[O-]	ZINC000630185679	369995249	/nfs/dbraw/zinc/99/52/49/369995249.db2.gz	FSDBXCXMTHHGKV-GFCCVEGCSA-N	-1	0	278.308	0.786	20	30		CCEDRM
C=C(C)C[C@@H](NS(=O)(=O)N(C)[C@H](C)C1CC1)C(=O)[O-]	ZINC000630437875	370115991	/nfs/dbraw/zinc/11/59/91/370115991.db2.gz	HUROHKRIBPGBIU-MWLCHTKSSA-N	-1	0	290.385	0.971	20	30		CCEDRM
C=C(C)C[C@H](NS(=O)(=O)[C@H]1CCO[C@H](C)C1)C(=O)[O-]	ZINC000630438453	370116880	/nfs/dbraw/zinc/11/68/80/370116880.db2.gz	QITRNXMWAZDDEU-VWYCJHECSA-N	-1	0	291.369	0.893	20	30		CCEDRM
C=C(C)C[C@@H](NS(=O)(=O)C[C@@H]1CCCO1)C(=O)[O-]	ZINC000630438593	370117066	/nfs/dbraw/zinc/11/70/66/370117066.db2.gz	SITFDIXXQJSIHG-VHSXEESVSA-N	-1	0	277.342	0.504	20	30		CCEDRM
C=C(C)C[C@@H](NS(=O)(=O)C[C@@H]1CCCCO1)C(=O)[O-]	ZINC000630438761	370117425	/nfs/dbraw/zinc/11/74/25/370117425.db2.gz	YQXURLLZHFESEA-WDEREUQCSA-N	-1	0	291.369	0.894	20	30		CCEDRM
C=CC(C)(C)CCNC(=O)N[C@@H](COC)C(=O)[O-]	ZINC000630483771	370131610	/nfs/dbraw/zinc/13/16/10/370131610.db2.gz	SKBSTXZJIIZHSN-VIFPVBQESA-N	-1	0	258.318	0.988	20	30		CCEDRM
C=CCN(C(=O)[C@H](C)O[C@@H](C)C(=O)[O-])[C@H](C)COC	ZINC000634930113	372300308	/nfs/dbraw/zinc/30/03/08/372300308.db2.gz	YNFMZPHTFZVZQJ-VWYCJHECSA-N	-1	0	273.329	0.914	20	30		CCEDRM
C=CCOCCCNC(=O)NC1(C(=O)[O-])CCC1	ZINC000656595668	412833840	/nfs/dbraw/zinc/83/38/40/412833840.db2.gz	NAUKIUMPHSHYQW-UHFFFAOYSA-N	-1	0	256.302	0.886	20	30		CCEDRM
N#Cc1cncc(S(=O)(=O)N2CCC[C@H]2C(=O)[O-])c1	ZINC000261645564	190042104	/nfs/dbraw/zinc/04/21/04/190042104.db2.gz	XNNMQWHPTVCVPX-JTQLQIEISA-N	-1	0	281.293	0.191	20	30		CCEDRM
C#CCNC(=O)c1ccc(OCC(=O)[O-])c(OCC)c1	ZINC000262663612	190059911	/nfs/dbraw/zinc/05/99/11/190059911.db2.gz	VBBBJROXQKINMM-UHFFFAOYSA-N	-1	0	277.276	0.912	20	30		CCEDRM
CNC(=O)C(C#N)=C([O-])c1cc(C(C)=O)c(C)nc1C	ZINC000777298081	581112297	/nfs/dbraw/zinc/11/22/97/581112297.db2.gz	VBAGUCCLPWVXKQ-GFCCVEGCSA-N	-1	0	273.292	0.970	20	30		CCEDRM
Cc1c(S(=O)(=O)[N-]c2cc(C)c(C#N)cn2)cnn1C	ZINC000570410955	291755817	/nfs/dbraw/zinc/75/58/17/291755817.db2.gz	RZQBRFBMLIXNRJ-UHFFFAOYSA-N	-1	0	291.336	0.526	20	30		CCEDRM
COCCCO[N-]C(=O)C(=O)Nc1ccc(F)c(C#N)c1	ZINC000288383016	197063596	/nfs/dbraw/zinc/06/35/96/197063596.db2.gz	XXNJGKARNJYGEO-UHFFFAOYSA-N	-1	0	295.270	0.720	20	30		CCEDRM
C#CCN(CC#N)S(=O)(=O)c1ccc(C(=O)[O-])c(F)c1	ZINC000312416032	260008379	/nfs/dbraw/zinc/00/83/79/260008379.db2.gz	RNAPEWBQUNMSHN-UHFFFAOYSA-N	-1	0	296.279	0.671	20	30		CCEDRM
C#CCO[N-]C(=O)[C@@H]1CCCCN1C(=O)C(C)C	ZINC000291353265	388920881	/nfs/dbraw/zinc/92/08/81/388920881.db2.gz	XLEUDTTZNHQCJR-NSHDSACASA-N	-1	0	252.314	0.705	20	30		CCEDRM
Cn1cc(CNC(=O)c2ccc(C#N)c(O)c2)cn1	ZINC000188360122	388926357	/nfs/dbraw/zinc/92/63/57/388926357.db2.gz	KBXJLUUAEUEHOV-UHFFFAOYSA-N	-1	0	256.265	0.927	20	30		CCEDRM
COCC[N@H+](C)CCNC(=O)c1ccc(C#N)c(O)c1	ZINC000188422572	388926894	/nfs/dbraw/zinc/92/68/94/388926894.db2.gz	SOGXARQNDQYEMS-UHFFFAOYSA-N	-1	0	277.324	0.572	20	30		CCEDRM
CC(C)C[C@H](CNC(=O)N1CCO[C@H](C#N)C1)C(=O)[O-]	ZINC000094706403	389040334	/nfs/dbraw/zinc/04/03/34/389040334.db2.gz	VPHMCXCPDACFRX-GHMZBOCLSA-N	-1	0	283.328	0.667	20	30		CCEDRM
COc1ccc(=NC(=O)NC[C@H]2CCSC2)[n-]n1	ZINC000328936012	389146509	/nfs/dbraw/zinc/14/65/09/389146509.db2.gz	ANGFBJBBRSHQBE-MRVPVSSYSA-N	-1	0	268.342	0.986	20	30		CCEDRM
O=C(N=c1cn[n-]s1)N1C[C@@H]2COC[C@H](C1)O2	ZINC000328755015	389135233	/nfs/dbraw/zinc/13/52/33/389135233.db2.gz	SPUUMQUZZMLPHV-KNVOCYPGSA-N	-1	0	256.287	0.183	20	30		CCEDRM
C=C(CNC(=O)c1cnc([O-])n(C)c1=O)c1ccccc1	ZINC000360211942	389194042	/nfs/dbraw/zinc/19/40/42/389194042.db2.gz	HIRRHEJNZKOBDQ-UHFFFAOYSA-N	-1	0	285.303	0.929	20	30		CCEDRM
C=CCCCNC(=O)C(=O)N=c1ccc(OC(C)C)n[n-]1	ZINC000342231549	389201738	/nfs/dbraw/zinc/20/17/38/389201738.db2.gz	LBYTXACWEXVNQO-UHFFFAOYSA-N	-1	0	292.339	0.707	20	30		CCEDRM
CO[C@H](CNS(=O)(=O)c1ccccc1C#N)CC(=O)[O-]	ZINC000232108433	389161192	/nfs/dbraw/zinc/16/11/92/389161192.db2.gz	ARGHPPZSQMTZDN-JTQLQIEISA-N	-1	0	298.320	0.326	20	30		CCEDRM
N#CC1(CS(=O)(=O)N[C@@H]2CCO[C@@H]2C2CC2)CC1	ZINC000329597929	389173948	/nfs/dbraw/zinc/17/39/48/389173948.db2.gz	CVOKFJDNLGOMCW-GHMZBOCLSA-N	-1	0	270.354	0.777	20	30		CCEDRM
CCC[C@H](NC(=O)c1cc(C#N)cn1C)c1nnn[n-]1	ZINC000136664499	389268053	/nfs/dbraw/zinc/26/80/53/389268053.db2.gz	QFACZPIDDRFVIQ-VIFPVBQESA-N	-1	0	273.300	0.681	20	30		CCEDRM
N#CC1(CS(=O)(=O)N[C@H](CO)CC(F)(F)F)CC1	ZINC000361809711	389224948	/nfs/dbraw/zinc/22/49/48/389224948.db2.gz	RYROLCVFLLQJFT-ZETCQYMHSA-N	-1	0	286.275	0.523	20	30		CCEDRM
C[C@H](CC(=O)[O-])NS(=O)(=O)CC1(C#N)CCCC1	ZINC000361998142	389227904	/nfs/dbraw/zinc/22/79/04/389227904.db2.gz	BSCZPKPUQCFSTJ-SECBINFHSA-N	-1	0	274.342	0.853	20	30		CCEDRM
N#CCc1ccc(C(=O)N2CCOC[C@@H]2C(=O)[O-])cc1	ZINC000262051679	389280747	/nfs/dbraw/zinc/28/07/47/389280747.db2.gz	AIBOJDUROVJVJW-GFCCVEGCSA-N	-1	0	274.276	0.678	20	30		CCEDRM
C=CCCCC(=O)N(CCNC(C)=O)[C@@H](C)C(=O)[O-]	ZINC000262269436	389283698	/nfs/dbraw/zinc/28/36/98/389283698.db2.gz	UMGPXZVWOOBLRD-JTQLQIEISA-N	-1	0	270.329	0.781	20	30		CCEDRM
CC(C)n1cc(C#N)c(=NC(=O)[C@H]2COCCO2)[n-]1	ZINC000331051317	389297605	/nfs/dbraw/zinc/29/76/05/389297605.db2.gz	ILBMJHSZZIXERX-SNVBAGLBSA-N	-1	0	264.285	0.111	20	30		CCEDRM
Cc1cc([N-]S(=O)(=O)c2c[nH]cn2)nn1CCC#N	ZINC000348879170	389394937	/nfs/dbraw/zinc/39/49/37/389394937.db2.gz	BAEHJVWZIZVVLD-UHFFFAOYSA-N	-1	0	280.313	0.629	20	30		CCEDRM
CC[C@H](O)CCNC(=O)c1cc(C#N)c(SC)[n-]c1=O	ZINC000160881959	389402183	/nfs/dbraw/zinc/40/21/83/389402183.db2.gz	JASAUMVBLNZNCZ-VIFPVBQESA-N	-1	0	295.364	0.859	20	30		CCEDRM
N#CCCCS(=O)(=O)N1CSC[C@@H]1C(=O)[O-]	ZINC000275048330	389509254	/nfs/dbraw/zinc/50/92/54/389509254.db2.gz	WPEXNVCJVRVZEZ-SSDOTTSWSA-N	-1	0	264.328	0.079	20	30		CCEDRM
C=CCCn1cc(C(=O)N[C@](C)(CC)C(=O)[O-])nn1	ZINC000425246116	389643073	/nfs/dbraw/zinc/64/30/73/389643073.db2.gz	KUHLKJGDSUTPEZ-GFCCVEGCSA-N	-1	0	266.301	0.837	20	30		CCEDRM
Cn1cc(-c2ccc(=NC(=O)NCC(C)(C)C#N)[n-]n2)cn1	ZINC000351720801	389666845	/nfs/dbraw/zinc/66/68/45/389666845.db2.gz	GTRYFXAEUUEVBH-UHFFFAOYSA-N	-1	0	299.338	0.970	20	30		CCEDRM
C=CCNC(=O)CNC(=O)c1ccc(F)cc1[O-]	ZINC000181656743	389690827	/nfs/dbraw/zinc/69/08/27/389690827.db2.gz	RNIRIAIPBAITMG-UHFFFAOYSA-N	-1	0	252.245	0.563	20	30		CCEDRM
Cc1nnc(C[N-]S(=O)(=O)c2cccnc2C#N)s1	ZINC000392156695	389773932	/nfs/dbraw/zinc/77/39/32/389773932.db2.gz	OQDZUVPLERBNMJ-UHFFFAOYSA-N	-1	0	295.349	0.592	20	30		CCEDRM
CCn1cnc(S(=O)(=O)[N-]c2c(C#N)cnn2CC)c1	ZINC000438230635	390003800	/nfs/dbraw/zinc/00/38/00/390003800.db2.gz	UXNSYUUWXUBPLJ-UHFFFAOYSA-N	-1	0	294.340	0.792	20	30		CCEDRM
CS(=O)(=O)c1nnc(NC(=O)c2cc(C#N)cs2)[n-]1	ZINC000438938552	390012468	/nfs/dbraw/zinc/01/24/68/390012468.db2.gz	VUFDAPMHNQZOIP-UHFFFAOYSA-N	-1	0	297.321	0.394	20	30		CCEDRM
C=CCS(=O)(=O)[N-]C(=O)[C@@H](C)NC(=O)OC(C)(C)C	ZINC000494588999	390184232	/nfs/dbraw/zinc/18/42/32/390184232.db2.gz	GIAXDRBASLHKHE-MRVPVSSYSA-N	-1	0	292.357	0.532	20	30		CCEDRM
C[C@H](C#N)CNC(=O)C(=O)N=c1[n-]nc(C(C)(C)C)s1	ZINC000540313723	390219097	/nfs/dbraw/zinc/21/90/97/390219097.db2.gz	VMMINSYFBZBNNU-SSDOTTSWSA-N	-1	0	295.368	0.472	20	30		CCEDRM
CCOC(=O)c1cc(=NC(=O)C2(C#N)CC(C)C2)[nH][n-]1	ZINC000541904811	390253353	/nfs/dbraw/zinc/25/33/53/390253353.db2.gz	PNJCOFSDVGGDTN-UHFFFAOYSA-N	-1	0	276.296	0.887	20	30		CCEDRM
C=C(C)CS(=O)(=O)NC[C@@H](Cc1cccnc1)C(=O)[O-]	ZINC000583937783	390326414	/nfs/dbraw/zinc/32/64/14/390326414.db2.gz	AQZLCXZQXIIDCK-GFCCVEGCSA-N	-1	0	298.364	0.820	20	30		CCEDRM
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C=CCN(CC=C)C(=O)C(=O)N1CC[C@@](C)(C(=O)[O-])C1	ZINC000422702396	330151079	/nfs/dbraw/zinc/15/10/79/330151079.db2.gz	DZVDMWXOJZZAHU-CQSZACIVSA-N	-1	0	280.324	0.510	20	30		CCEDRM
C=CCCN(C)C(=O)C(=O)N1C[C@H](C(=O)[O-])C[C@H](C)C1	ZINC000422879891	330158815	/nfs/dbraw/zinc/15/88/15/330158815.db2.gz	WBFPINAVDGBMCC-WDEREUQCSA-N	-1	0	282.340	0.590	20	30		CCEDRM
C=C[C@@H]1CCCCN1C(=O)C(=O)N1CCC[C@H](C(=O)[O-])C1	ZINC000422913454	330160216	/nfs/dbraw/zinc/16/02/16/330160216.db2.gz	YKKSTFXBLIREQT-NWDGAFQWSA-N	-1	0	294.351	0.877	20	30		CCEDRM
C=C[C@@H]1CCCCN1C(=O)C(=O)N1CCC[C@@H](C(=O)[O-])C1	ZINC000422913456	330160344	/nfs/dbraw/zinc/16/03/44/330160344.db2.gz	YKKSTFXBLIREQT-VXGBXAGGSA-N	-1	0	294.351	0.877	20	30		CCEDRM
C=C[C@@H](C)[C@@H](NC(=O)c1noc2c1COCC2)C(=O)[O-]	ZINC000527595241	330264906	/nfs/dbraw/zinc/26/49/06/330264906.db2.gz	PIXYRKZJIKPJEF-GMSGAONNSA-N	-1	0	280.280	0.752	20	30		CCEDRM
C[C@@H](CC#N)N(C)S(=O)(=O)NCCC(C)(C)C(=O)[O-]	ZINC000424390159	330349985	/nfs/dbraw/zinc/34/99/85/330349985.db2.gz	JNRSLYJXYSHGSF-VIFPVBQESA-N	-1	0	291.373	0.556	20	30		CCEDRM
C=CC[C@H](CO)NC(=O)NC[C@@H](CC(C)C)C(=O)[O-]	ZINC000424427804	330351751	/nfs/dbraw/zinc/35/17/51/330351751.db2.gz	WBDZVZMSJFCZNZ-GHMZBOCLSA-N	-1	0	272.345	0.970	20	30		CCEDRM
CCC(CC)(CNC(=O)C(=O)NCCCCC#N)C(=O)[O-]	ZINC000424520184	330364054	/nfs/dbraw/zinc/36/40/54/330364054.db2.gz	PEJXETDNRHCGQU-UHFFFAOYSA-N	-1	0	297.355	0.804	20	30		CCEDRM
C=CC[C@H](CC)NC(=O)C(=O)N=c1ncn(C(C)(C)C)[n-]1	ZINC000440246519	330746822	/nfs/dbraw/zinc/74/68/22/330746822.db2.gz	WQCIFAGUAGKHSY-JTQLQIEISA-N	-1	0	293.371	0.864	20	30		CCEDRM
C=CCOC[C@@H](NC(=O)c1ccnc(C2CC2)n1)C(=O)[O-]	ZINC000455880215	331179435	/nfs/dbraw/zinc/17/94/35/331179435.db2.gz	REZPGBKLRDTELY-LLVKDONJSA-N	-1	0	291.307	0.740	20	30		CCEDRM
C=CCOC[C@H](NC(=O)c1ncccc1OCC)C(=O)[O-]	ZINC000455914803	331180798	/nfs/dbraw/zinc/18/07/98/331180798.db2.gz	SHUAEBBIOPSJGD-JTQLQIEISA-N	-1	0	294.307	0.866	20	30		CCEDRM
C=CCN(CCC#N)S(=O)(=O)[N-]CC(F)(F)F	ZINC000490101498	332081432	/nfs/dbraw/zinc/08/14/32/332081432.db2.gz	JFQMVKFBLQVQBV-UHFFFAOYSA-N	-1	0	271.264	0.785	20	30		CCEDRM
C#CCn1ccnc1C=NNc1nnc(C)c(=O)[n-]1	ZINC000491554206	332236560	/nfs/dbraw/zinc/23/65/60/332236560.db2.gz	HEBOVPPOHLTLGO-UHFFFAOYSA-N	-1	0	257.257	0.161	20	30		CCEDRM
C#CCNC(=O)c1ccc(NCCCCCC(=O)[O-])nc1	ZINC000491627931	332251259	/nfs/dbraw/zinc/25/12/59/332251259.db2.gz	KFFDCXRSWHZRDX-UHFFFAOYSA-N	-1	0	289.335	0.923	20	30		CCEDRM
C#C[C@H]1COCCN1C(=O)N=c1nc2ccccn2[n-]1	ZINC000491659597	332270175	/nfs/dbraw/zinc/27/01/75/332270175.db2.gz	BZCGISGJZFNAQX-JTQLQIEISA-N	-1	0	271.280	0.017	20	30		CCEDRM
C#C[C@@H]1COCCN1C(=O)N=c1[n-]nc(CCC)s1	ZINC000491740927	332319820	/nfs/dbraw/zinc/31/98/20/332319820.db2.gz	YVXKMVUTQZNDEC-SECBINFHSA-N	-1	0	280.353	0.778	20	30		CCEDRM
C=CCOC[C@@H](NC(=O)/C=C/c1ccnn1CC)C(=O)[O-]	ZINC000493298166	332434515	/nfs/dbraw/zinc/43/45/15/332434515.db2.gz	UWZMSKGIXZEQNO-BTDICHCPSA-N	-1	0	293.323	0.688	20	30		CCEDRM
CC[C@@H](CCNS(=O)(=O)N(C)[C@H](C)CC#N)C(=O)[O-]	ZINC000516575182	332601589	/nfs/dbraw/zinc/60/15/89/332601589.db2.gz	YJNYVZZNAHUEGW-ZJUUUORDSA-N	-1	0	291.373	0.556	20	30		CCEDRM
CCN(CC#N)S(=O)(=O)c1ccc(CC(=O)[O-])cc1	ZINC000575926934	335132064	/nfs/dbraw/zinc/13/20/64/335132064.db2.gz	NVHDAYFRPLKRMB-UHFFFAOYSA-N	-1	0	282.321	0.848	20	30		CCEDRM
C=CCS(=O)(=O)[N-]C(=O)c1cnn(CCCOC)c1	ZINC000528973727	333467075	/nfs/dbraw/zinc/46/70/75/333467075.db2.gz	NKMWJNUMWYOGAM-UHFFFAOYSA-N	-1	0	287.341	0.165	20	30		CCEDRM
CC#CC[C@@H](NS(=O)(=O)N1CC[C@@H](C)C1)C(=O)[O-]	ZINC000542857870	333845860	/nfs/dbraw/zinc/84/58/60/333845860.db2.gz	BHLIGIZBZHCPGJ-NXEZZACHSA-N	-1	0	274.342	0.029	20	30		CCEDRM
CC[C@@](C)(CNS(=O)(=O)CCCC#N)C(=O)[O-]	ZINC000547888519	334129060	/nfs/dbraw/zinc/12/90/60/334129060.db2.gz	KTAGGFNOTBWQPH-JTQLQIEISA-N	-1	0	262.331	0.710	20	30		CCEDRM
C=CCN(CC(=O)[O-])S(=O)(=O)N(C)[C@@H](C)C1CC1	ZINC000547915163	334129331	/nfs/dbraw/zinc/12/93/31/334129331.db2.gz	ZPYDTIMTNMBDMD-VIFPVBQESA-N	-1	0	276.358	0.534	20	30		CCEDRM
C[C@@H]1SC[C@H](C(=O)[O-])N1S(=O)(=O)CCCCC#N	ZINC000548556262	334162570	/nfs/dbraw/zinc/16/25/70/334162570.db2.gz	UXWZLMXDVOKVFC-DTWKUNHWSA-N	-1	0	292.382	0.858	20	30		CCEDRM
CSCC[C@H](NS(=O)(=O)CCCCC#N)C(=O)[O-]	ZINC000548564527	334162731	/nfs/dbraw/zinc/16/27/31/334162731.db2.gz	UOXRCHHIPTZRRG-VIFPVBQESA-N	-1	0	294.398	0.806	20	30		CCEDRM
C=CCCS(=O)(=O)N[C@@H](C(=O)[O-])[C@H](O)CCC	ZINC000548595212	334163241	/nfs/dbraw/zinc/16/32/41/334163241.db2.gz	NQMXWCGIXFUENI-RKDXNWHRSA-N	-1	0	265.331	0.096	20	30		CCEDRM
C=CCCS(=O)(=O)N[C@H](C(=O)[O-])[C@H](O)CCC	ZINC000548595208	334163257	/nfs/dbraw/zinc/16/32/57/334163257.db2.gz	NQMXWCGIXFUENI-BDAKNGLRSA-N	-1	0	265.331	0.096	20	30		CCEDRM
C=CCC[C@@H](NC(=O)[C@@H](C)n1cccn1)C(=O)[O-]	ZINC000262897330	334577124	/nfs/dbraw/zinc/57/71/24/334577124.db2.gz	LXHDGABLCCRIAZ-NXEZZACHSA-N	-1	0	251.286	0.980	20	30		CCEDRM
C=CCC[C@H](NC(=O)c1cc(C)nn1C)C(=O)[O-]	ZINC000262915100	334578832	/nfs/dbraw/zinc/57/88/32/334578832.db2.gz	NNJWGRWSWCTDLZ-VIFPVBQESA-N	-1	0	251.286	0.878	20	30		CCEDRM
C=CCOC[C@H](NC(=O)NCc1ccoc1)C(=O)[O-]	ZINC000578110133	335496944	/nfs/dbraw/zinc/49/69/44/335496944.db2.gz	XXVFUJMGJONMMT-JTQLQIEISA-N	-1	0	268.269	0.735	20	30		CCEDRM
C=C(C)CS(=O)(=O)NCc1nc(C(=O)[O-])cs1	ZINC000578753994	335670517	/nfs/dbraw/zinc/67/05/17/335670517.db2.gz	NOCQMOWLSXPVIR-UHFFFAOYSA-N	-1	0	276.339	0.837	20	30		CCEDRM
C=CCN(CC(=O)[O-])S(=O)(=O)c1ccc(C#N)c(F)c1	ZINC000581524924	336095104	/nfs/dbraw/zinc/09/51/04/336095104.db2.gz	SSINKYIMCGHPTD-UHFFFAOYSA-N	-1	0	298.295	0.959	20	30		CCEDRM
C=CCSCCNC(=O)N[C@H](C(=O)[O-])c1ccn(C)n1	ZINC000581922130	336167234	/nfs/dbraw/zinc/16/72/34/336167234.db2.gz	LJPMQFUDJONPEW-JTQLQIEISA-N	-1	0	298.368	0.764	20	30		CCEDRM
Cc1cc(=NC(=O)N=c2ccn(CCC#N)[nH]2)[n-]nc1C	ZINC000347496136	534025509	/nfs/dbraw/zinc/02/55/09/534025509.db2.gz	CSWGZAZHJJQWNO-UHFFFAOYSA-N	-1	0	285.311	0.691	20	30		CCEDRM
Cc1cnn(C)c1S(=O)(=O)[N-]c1ccc(C#N)c(C)n1	ZINC000451093354	534730724	/nfs/dbraw/zinc/73/07/24/534730724.db2.gz	VOURQDYAMKQSNG-UHFFFAOYSA-N	-1	0	291.336	0.526	20	30		CCEDRM
C=CCN1CC[C@H](Sc2n[n-]c(=NC)s2)C1=O	ZINC000347696063	526517927	/nfs/dbraw/zinc/51/79/27/526517927.db2.gz	ZJQJSFHFSQXNON-ZETCQYMHSA-N	-1	0	270.383	0.881	20	30		CCEDRM
C=C(C)[C@@H](CC(=O)NCc1n[n-]c(=N)o1)OCC	ZINC000354840576	526748847	/nfs/dbraw/zinc/74/88/47/526748847.db2.gz	NBTQUXFEPOURNA-MRVPVSSYSA-N	-1	0	254.290	0.470	20	30		CCEDRM
C=CCOCCCN1[N-]S(=O)(=O)c2ccccc2C1=O	ZINC000356033500	526760190	/nfs/dbraw/zinc/76/01/90/526760190.db2.gz	GLRVULOGMJOQIH-UHFFFAOYSA-N	-1	0	296.348	0.928	20	30		CCEDRM
CC(C)(C)CC[C@H](NC(=O)Cn1cnc(C#N)n1)C(=O)[O-]	ZINC000449139938	527677048	/nfs/dbraw/zinc/67/70/48/527677048.db2.gz	BHKBOBDGWHWYEM-VIFPVBQESA-N	-1	0	293.327	0.545	20	30		CCEDRM
CCCC(=O)N1CSC[C@@H]1C(=O)NCc1n[nH]c(=O)[n-]1	ZINC000330057099	527911337	/nfs/dbraw/zinc/91/13/37/527911337.db2.gz	WXHKPKSCOZSFKO-SSDOTTSWSA-N	-1	0	299.356	0.668	20	30		CCEDRM
CCC[C@H](NC(=O)c1ccc(C#N)n1C)c1nnn[n-]1	ZINC000450121948	528203120	/nfs/dbraw/zinc/20/31/20/528203120.db2.gz	LSKNISSXEYRFHE-VIFPVBQESA-N	-1	0	273.300	0.681	20	30		CCEDRM
C=CCCOCC(=O)N(CCNC(C)=O)[C@H](C)C(=O)[O-]	ZINC000679654951	545414133	/nfs/dbraw/zinc/41/41/33/545414133.db2.gz	MQVHLBFSOKOIGC-SNVBAGLBSA-N	-1	0	286.328	0.017	20	30		CCEDRM
C=CCCOCC(=O)N(C)C[C@H](C)c1nnn[n-]1	ZINC000681353669	545451433	/nfs/dbraw/zinc/45/14/33/545451433.db2.gz	RSAOYBWTXPSXLS-VIFPVBQESA-N	-1	0	253.306	0.354	20	30		CCEDRM
C=CC[C@H](NS(=O)(=O)c1cncn1CC)C(=O)[O-]	ZINC000681559029	545456232	/nfs/dbraw/zinc/45/62/32/545456232.db2.gz	XZDUJZJGIMCNES-QMMMGPOBSA-N	-1	0	273.314	0.211	20	30		CCEDRM
C=CC[C@H](NS(=O)(=O)N(C)[C@@H](C)C1CC1)C(=O)[O-]	ZINC000681558471	545456236	/nfs/dbraw/zinc/45/62/36/545456236.db2.gz	RJWJPJSTRKCKQL-WPRPVWTQSA-N	-1	0	276.358	0.580	20	30		CCEDRM
C=CCN(CC(=O)[O-])S(=O)(=O)CC[C@H]1CCCO1	ZINC000681586920	545457118	/nfs/dbraw/zinc/45/71/18/545457118.db2.gz	MSEHDQIBMFJJEC-SNVBAGLBSA-N	-1	0	277.342	0.458	20	30		CCEDRM
CCC[C@H](NC(=O)[O-])C(=O)NC1(C#N)CCOCC1	ZINC000739311417	581103107	/nfs/dbraw/zinc/10/31/07/581103107.db2.gz	KFVVQVRXNQBXAB-VIFPVBQESA-N	-1	0	269.301	0.612	20	30		CCEDRM
CCN(C[C@@H](C)C#N)C(=O)CN1CC[C@H](NC(=O)[O-])C1	ZINC000739404858	581132104	/nfs/dbraw/zinc/13/21/04/581132104.db2.gz	SAVGPSNILGYQSH-QWRGUYRKSA-N	-1	0	282.344	0.336	20	30		CCEDRM
CNC(=O)C(C#N)=C([O-])c1nnn(CC2CCCC2)c1C	ZINC000789406786	581147787	/nfs/dbraw/zinc/14/77/87/581147787.db2.gz	YDNXKKJNNZENFW-NSHDSACASA-N	-1	0	289.339	0.845	20	30		CCEDRM
CSc1[n-]c(=O)c(C(=O)N[C@@H](CO)C2CC2)cc1C#N	ZINC000778510641	581158647	/nfs/dbraw/zinc/15/86/47/581158647.db2.gz	LHSUIHOPFDHKEQ-JTQLQIEISA-N	-1	0	293.348	0.881	20	30		CCEDRM
CNC(=O)C(C#N)=C([O-])c1cc2c(c([N+](=O)[O-])c1)OCO2	ZINC000779194857	581176687	/nfs/dbraw/zinc/17/66/87/581176687.db2.gz	PBRILVKHGPTGIX-ZETCQYMHSA-N	-1	0	291.219	0.392	20	30		CCEDRM
N#CC1(CS(=O)(=O)[N-]C(=O)c2cocn2)CCCC1	ZINC000779317499	581180619	/nfs/dbraw/zinc/18/06/19/581180619.db2.gz	HPZCKDSCUPSZLQ-UHFFFAOYSA-N	-1	0	283.309	0.818	20	30		CCEDRM
C[C@H]1CN(C(=O)C2(C#N)CCOCC2)C[C@H](C)N1C(=O)[O-]	ZINC000739125142	581181637	/nfs/dbraw/zinc/18/16/37/581181637.db2.gz	RPUMEYSABCBTMV-QWRGUYRKSA-N	-1	0	295.339	0.906	20	30		CCEDRM
COc1cc(C=NNC2=NC[C@@H](C)N2)cc([N+](=O)[O-])c1[O-]	ZINC000779798365	581206111	/nfs/dbraw/zinc/20/61/11/581206111.db2.gz	OICDWBRSXIUKLE-SSDOTTSWSA-N	-1	0	293.283	0.580	20	30		CCEDRM
COc1cncc(C([O-])=C(C#N)C(=O)Nc2ccccn2)n1	ZINC000791785094	581234075	/nfs/dbraw/zinc/23/40/75/581234075.db2.gz	ZNYRLVBWSQEQBM-VIFPVBQESA-N	-1	0	297.274	0.841	20	30		CCEDRM
COCCO[N-]C(=O)[C@@](C)(C#N)CC(=O)OC(C)(C)C	ZINC000780613735	581236498	/nfs/dbraw/zinc/23/64/98/581236498.db2.gz	BMWQJFNHVNITPL-CYBMUJFWSA-N	-1	0	286.328	0.942	20	30		CCEDRM
CC[C@H](NN=Cc1c[nH]c(C(=O)OC)c1)C(=O)[O-]	ZINC000793071367	581283179	/nfs/dbraw/zinc/28/31/79/581283179.db2.gz	DFDBFFJRUXMFNJ-QMMMGPOBSA-N	-1	0	253.258	0.588	20	30		CCEDRM
CC[C@@H](NN=C(C)c1ccc(-n2cnnn2)cc1)C(=O)[O-]	ZINC000793077659	581283488	/nfs/dbraw/zinc/28/34/88/581283488.db2.gz	GFGJXRCSUPKTCC-GFCCVEGCSA-N	-1	0	288.311	0.839	20	30		CCEDRM
CC[C@@H](NN=C(C)c1ccc(S(N)(=O)=O)cc1)C(=O)[O-]	ZINC000793080461	581283765	/nfs/dbraw/zinc/28/37/65/581283765.db2.gz	ANIQWMKNSCBTBC-LLVKDONJSA-N	-1	0	299.352	0.511	20	30		CCEDRM
Cc1cc(C(C#N)=C([O-])c2cnn(C)n2)nc(C)n1	ZINC000793124829	581284803	/nfs/dbraw/zinc/28/48/03/581284803.db2.gz	NCKUVHHORMXYOT-VIFPVBQESA-N	-1	0	256.269	0.712	20	30		CCEDRM
C=CCS(=O)(=O)[N-]C(=O)c1scnc1COC	ZINC000793177128	581286746	/nfs/dbraw/zinc/28/67/46/581286746.db2.gz	GAJOEEMIVWTTHV-UHFFFAOYSA-N	-1	0	276.339	0.535	20	30		CCEDRM
CC(C)CO[C@H](C)C(=O)[N-]S(=O)(=O)CC1(C#N)CC1	ZINC000793202186	581288162	/nfs/dbraw/zinc/28/81/62/581288162.db2.gz	XDFOHOSYFZERPO-SNVBAGLBSA-N	-1	0	288.369	0.797	20	30		CCEDRM
CCO[C@@H](CC)C(=O)[N-]S(=O)(=O)CC1(C#N)CC1	ZINC000793211936	581288377	/nfs/dbraw/zinc/28/83/77/581288377.db2.gz	HIRORQMMEIJWFK-VIFPVBQESA-N	-1	0	274.342	0.551	20	30		CCEDRM
Cn1cc(/C=C\C(=O)[N-]S(=O)(=O)CC2(C#N)CC2)cn1	ZINC000793212172	581288457	/nfs/dbraw/zinc/28/84/57/581288457.db2.gz	KTHKPLJXBXTVPC-IHWYPQMZSA-N	-1	0	294.336	0.183	20	30		CCEDRM
COCc1nc(C(=O)[N-]S(=O)(=O)CC2(C#N)CC2)co1	ZINC000793205830	581288504	/nfs/dbraw/zinc/28/85/04/581288504.db2.gz	QJOQLAGGQCIJOY-UHFFFAOYSA-N	-1	0	299.308	0.184	20	30		CCEDRM
Cc1nnc(N2CC[C@@H](NC(=O)[O-])C2)c(C#N)c1C	ZINC000740253969	581313262	/nfs/dbraw/zinc/31/32/62/581313262.db2.gz	WWPBVBVFIUKXEM-SECBINFHSA-N	-1	0	261.285	0.811	20	30		CCEDRM
N#Cc1cccc(NC(=O)[C@@H]2C[C@H](O)CN2C(=O)[O-])c1	ZINC000740320121	581325748	/nfs/dbraw/zinc/32/57/48/581325748.db2.gz	HNJIQCZEUMPEJH-QWRGUYRKSA-N	-1	0	275.264	0.610	20	30		CCEDRM
C=CCCCS(=O)(=O)N1CCC(OCC(=O)[O-])CC1	ZINC000793988131	581325916	/nfs/dbraw/zinc/32/59/16/581325916.db2.gz	LHPKKRFZZHRSKP-UHFFFAOYSA-N	-1	0	291.369	0.848	20	30		CCEDRM
N#Cc1nc(N)n(C[C@@H]2CCN(C(=O)[O-])C2)c1C#N	ZINC000740325574	581326388	/nfs/dbraw/zinc/32/63/88/581326388.db2.gz	VTGUYRFUIQOMSV-SSDOTTSWSA-N	-1	0	260.257	0.209	20	30		CCEDRM
C#CCN(CC)C(=O)NC[C@H]1CCCN1C(=O)[O-]	ZINC000738460506	581333297	/nfs/dbraw/zinc/33/32/97/581333297.db2.gz	KNRZGLDIFVZOQQ-SNVBAGLBSA-N	-1	0	253.302	0.794	20	30		CCEDRM
C#CCN1CCN(C(=O)[C@H]2CCC[C@@H](NC(=O)[O-])C2)CC1	ZINC000738459639	581333406	/nfs/dbraw/zinc/33/34/06/581333406.db2.gz	BKOYJEXPMULXIU-QWHCGFSZSA-N	-1	0	293.367	0.590	20	30		CCEDRM
C#CCN1CCN(C(=O)C2(NC(=O)[O-])CCCCC2)CC1	ZINC000738462313	581333843	/nfs/dbraw/zinc/33/38/43/581333843.db2.gz	YSOWBUKNURWUMR-UHFFFAOYSA-N	-1	0	293.367	0.734	20	30		CCEDRM
C#Cc1cccc(NC(=O)C(=O)NCCCNC(=O)[O-])c1	ZINC000738468673	581342731	/nfs/dbraw/zinc/34/27/31/581342731.db2.gz	YYCQKDJRUFJXQK-UHFFFAOYSA-N	-1	0	289.291	0.380	20	30		CCEDRM
C=C(C)CN(CC)C(=O)[C@H]1C[C@H](O)CN1C(=O)[O-]	ZINC000738470098	581343720	/nfs/dbraw/zinc/34/37/20/581343720.db2.gz	HYXLMYBDONVZGM-VHSXEESVSA-N	-1	0	256.302	0.524	20	30		CCEDRM
C=C(Br)COC(=O)[C@H]1C[C@H](O)CN1C(=O)[O-]	ZINC000738470528	581343744	/nfs/dbraw/zinc/34/37/44/581343744.db2.gz	JFTFDVUPLXWMAY-NKWVEPMBSA-N	-1	0	294.101	0.551	20	30		CCEDRM
C[C@@H]1C[C@@H](C(=O)[N-]S(=O)(=O)CCCC#N)CCC1=O	ZINC000783430327	581347246	/nfs/dbraw/zinc/34/72/46/581347246.db2.gz	SGGWLNAQFRCMBZ-ZJUUUORDSA-N	-1	0	286.353	0.741	20	30		CCEDRM
C=CC1CCN(C(=O)[C@@H]2COCCN2C(=O)[O-])CC1	ZINC000738488758	581358607	/nfs/dbraw/zinc/35/86/07/581358607.db2.gz	MDEYUMYKJWPBDT-NSHDSACASA-N	-1	0	268.313	0.790	20	30		CCEDRM
N#Cc1ccc(S(=O)(=O)[N-]N2CCCNC2=O)c(F)c1	ZINC000784723308	581392793	/nfs/dbraw/zinc/39/27/93/581392793.db2.gz	FWSVRUVXPONPCT-UHFFFAOYSA-N	-1	0	298.299	0.306	20	30		CCEDRM
N#CCn1cc([N-]S(=O)(=O)c2ccoc2)cn1	ZINC000795304433	581403717	/nfs/dbraw/zinc/40/37/17/581403717.db2.gz	HQLLUMXWZUEDIH-UHFFFAOYSA-N	-1	0	252.255	0.800	20	30		CCEDRM
CC(C)(C#N)CC(=O)[N-]S(=O)(=O)N1CCCCC1	ZINC000786346753	581438390	/nfs/dbraw/zinc/43/83/90/581438390.db2.gz	WVUMSJWUGGVJGG-UHFFFAOYSA-N	-1	0	273.358	0.773	20	30		CCEDRM
N#Cc1ccc(C(=O)[N-]S(=O)(=O)N2CCCC2)o1	ZINC000796781360	581450599	/nfs/dbraw/zinc/45/05/99/581450599.db2.gz	AOSDIQXEPPFWRE-UHFFFAOYSA-N	-1	0	269.282	0.222	20	30		CCEDRM
N#Cc1ccc(C(=O)[N-]S(=O)(=O)N2CCCCC2)o1	ZINC000796781692	581450656	/nfs/dbraw/zinc/45/06/56/581450656.db2.gz	BMVHHZFYCGNKBS-UHFFFAOYSA-N	-1	0	283.309	0.612	20	30		CCEDRM
N#Cc1ccc(C(=O)[N-]S(=O)(=O)CC2CC2)o1	ZINC000796878241	581453210	/nfs/dbraw/zinc/45/32/10/581453210.db2.gz	MFGQUHARJIEBNE-UHFFFAOYSA-N	-1	0	254.267	0.621	20	30		CCEDRM
N#Cc1ccc(C(=O)[N-]S(=O)(=O)c2cnccn2)o1	ZINC000796972384	581456581	/nfs/dbraw/zinc/45/65/81/581456581.db2.gz	YPIZDZHXADAMNG-UHFFFAOYSA-N	-1	0	278.249	0.060	20	30		CCEDRM
Cc1c(C(=O)[N-]S(=O)(=O)CCCC#N)nnn1C(C)C	ZINC000797031306	581458229	/nfs/dbraw/zinc/45/82/29/581458229.db2.gz	JNLIBAYTCAZWDJ-UHFFFAOYSA-N	-1	0	299.356	0.531	20	30		CCEDRM
CC(C)n1cc(C(=O)[N-]S(=O)(=O)CCCC#N)nn1	ZINC000797033109	581458236	/nfs/dbraw/zinc/45/82/36/581458236.db2.gz	ZGCKSKCZGWLHRZ-UHFFFAOYSA-N	-1	0	285.329	0.222	20	30		CCEDRM
Cn1cc(C[C@H](O)C(=O)Nc2cc(C#N)ccc2[O-])cn1	ZINC000787156133	581458687	/nfs/dbraw/zinc/45/86/87/581458687.db2.gz	WJUJXXCTCHMDRC-ZDUSSCGKSA-N	-1	0	286.291	0.539	20	30		CCEDRM
CO[C@H](C)CS(=O)(=O)[N-]C(=O)c1ccc(C#N)o1	ZINC000797167841	581460851	/nfs/dbraw/zinc/46/08/51/581460851.db2.gz	AHEKFDYCYZSPTH-SSDOTTSWSA-N	-1	0	272.282	0.246	20	30		CCEDRM
C=CCS(=O)(=O)[N-]C(=O)c1nc(CC)oc1C	ZINC000797184216	581461288	/nfs/dbraw/zinc/46/12/88/581461288.db2.gz	NMZOISRHKRLSKN-UHFFFAOYSA-N	-1	0	258.299	0.791	20	30		CCEDRM
N#Cc1cccnc1NCCOC(=O)[C@@H]1C[C@@H]1C(=O)[O-]	ZINC000739141880	581511032	/nfs/dbraw/zinc/51/10/32/581511032.db2.gz	BSEWRURFDKESNY-VHSXEESVSA-N	-1	0	275.264	0.629	20	30		CCEDRM
COc1cccc(C(=O)Nc2nc(C#N)c(C#N)[n-]2)n1	ZINC000752792330	581517035	/nfs/dbraw/zinc/51/70/35/581517035.db2.gz	MKXJXMYJRGYDAM-UHFFFAOYSA-N	-1	0	268.236	0.809	20	30		CCEDRM
COCCCNC(=O)C(C#N)=C([O-])c1cn(C)nc1C	ZINC000733678327	581517998	/nfs/dbraw/zinc/51/79/98/581517998.db2.gz	XZWNTQBWWKCTBU-SNVBAGLBSA-N	-1	0	278.312	0.204	20	30		CCEDRM
Cn1c(Cl)cnc1/C=C\C(=O)c1cnc([O-])n(C)c1=O	ZINC000752884102	581520400	/nfs/dbraw/zinc/52/04/00/581520400.db2.gz	BNQCVFFRKWMTQG-ARJAWSKDSA-N	-1	0	294.698	0.769	20	30		CCEDRM
C#CCOc1ccccc1CNC(=O)c1n[nH]c(=O)[n-]1	ZINC000734176003	581548878	/nfs/dbraw/zinc/54/88/78/581548878.db2.gz	ABVRMSCNBFIGOC-UHFFFAOYSA-N	-1	0	272.264	0.452	20	30		CCEDRM
CCN(CCNS(=O)(=O)c1ccc(C#N)cc1)C(=O)[O-]	ZINC000739433845	581552611	/nfs/dbraw/zinc/55/26/11/581552611.db2.gz	GUOCLWQJYJRPKC-UHFFFAOYSA-N	-1	0	297.336	0.836	20	30		CCEDRM
CN(C(=O)COCCNC(=O)[O-])c1cccc(C#N)c1	ZINC000739575511	581574088	/nfs/dbraw/zinc/57/40/88/581574088.db2.gz	KKTZSYFZYVBHDE-UHFFFAOYSA-N	-1	0	277.280	0.805	20	30		CCEDRM
C[C@H](C#N)CN(C)C(=O)CN(C[C@@H]1CCCO1)C(=O)[O-]	ZINC000738595903	581575634	/nfs/dbraw/zinc/57/56/34/581575634.db2.gz	BZOSSWHJQNKNFM-MNOVXSKESA-N	-1	0	283.328	0.763	20	30		CCEDRM
CCCn1cc(C=Nn2c(=O)c(C)n[n-]c2=S)cn1	ZINC000734977268	581599472	/nfs/dbraw/zinc/59/94/72/581599472.db2.gz	LHLICNBBBZORNK-UHFFFAOYSA-N	-1	0	278.341	0.724	20	30		CCEDRM
COC(=O)CN(CC#N)C(=O)CC1CCN(C(=O)[O-])CC1	ZINC000739759735	581611670	/nfs/dbraw/zinc/61/16/70/581611670.db2.gz	CVRLVPIIAGMTSU-UHFFFAOYSA-N	-1	0	297.311	0.292	20	30		CCEDRM
COCCN(CC(=O)[C@@H](C#N)c1ccccn1)C(=O)[O-]	ZINC000739812754	581622319	/nfs/dbraw/zinc/62/23/19/581622319.db2.gz	KFJNKRBIWACROX-JTQLQIEISA-N	-1	0	277.280	0.884	20	30		CCEDRM
COCCNC(=O)C(C#N)=C([O-])c1cnn2ccccc12	ZINC000735208665	581631585	/nfs/dbraw/zinc/63/15/85/581631585.db2.gz	NJLJVEBPXQVMGC-JTQLQIEISA-N	-1	0	286.291	0.419	20	30		CCEDRM
C=C(C)C[C@H](C)C(=O)[N-]S(=O)(=O)c1cnccn1	ZINC000768003207	581639848	/nfs/dbraw/zinc/63/98/48/581639848.db2.gz	YKXGYKFOQXGUIR-VIFPVBQESA-N	-1	0	269.326	0.884	20	30		CCEDRM
CSCC[C@H](NC(=O)[O-])C(=O)N(C)CCC#N	ZINC000740007733	581644040	/nfs/dbraw/zinc/64/40/40/581644040.db2.gz	BFMOQJADGNVJOF-QMMMGPOBSA-N	-1	0	259.331	0.748	20	30		CCEDRM
C=CCCn1cc(C(=O)OC)cc(-c2nnn[n-]2)c1=O	ZINC000735415860	581647972	/nfs/dbraw/zinc/64/79/72/581647972.db2.gz	AFVGIOZRGLMOLK-UHFFFAOYSA-N	-1	0	275.268	0.391	20	30		CCEDRM
C=CCCO[C@@H](C)C(=O)N1CCOC[C@@H]1c1nnn[n-]1	ZINC000735416927	581648053	/nfs/dbraw/zinc/64/80/53/581648053.db2.gz	UJBAYDLTZNWIKV-VHSXEESVSA-N	-1	0	281.316	0.081	20	30		CCEDRM
COCCCNC(=O)C(C#N)=C([O-])c1oc(C)nc1C	ZINC000755599241	581648155	/nfs/dbraw/zinc/64/81/55/581648155.db2.gz	OELCHYVVTWGKHV-SNVBAGLBSA-N	-1	0	279.296	0.767	20	30		CCEDRM
C#CCOCCNC(=O)c1ccc([O-])c([N+](=O)[O-])c1	ZINC000756206692	581659427	/nfs/dbraw/zinc/65/94/27/581659427.db2.gz	MFQZDLOPAFVSPD-UHFFFAOYSA-N	-1	0	264.237	0.680	20	30		CCEDRM
Cn1ncc2c1ncnc2N=NC1CN(C(=O)[O-])C1	ZINC000740298890	581661381	/nfs/dbraw/zinc/66/13/81/581661381.db2.gz	XJCUQHBLUBTKCW-UHFFFAOYSA-N	-1	0	261.245	0.125	20	30		CCEDRM
N#C[C@@]1(NC(=O)[C@H]2CCN(C(=O)[O-])C2)CCSC1	ZINC000740309142	581663520	/nfs/dbraw/zinc/66/35/20/581663520.db2.gz	DYMFZPDDMWYAEL-KWQFWETISA-N	-1	0	269.326	0.502	20	30		CCEDRM
N#CC1(NC(=O)C2=NN(c3ccccc3)[C@H](C(=O)[O-])C2)CC1	ZINC000740310783	581663900	/nfs/dbraw/zinc/66/39/00/581663900.db2.gz	XKCXJLIWACAXSL-LBPRGKRZSA-N	-1	0	298.302	0.878	20	30		CCEDRM
N#Cc1ccccc1OCC(=O)NCCCNC(=O)[O-]	ZINC000740323425	581665641	/nfs/dbraw/zinc/66/56/41/581665641.db2.gz	MBHLQEAENMURKB-UHFFFAOYSA-N	-1	0	277.280	0.711	20	30		CCEDRM
COC(=O)CCC(C)=NNc1nc(=O)c2cnn(C)c2[nH]1	ZINC000756889815	581683923	/nfs/dbraw/zinc/68/39/23/581683923.db2.gz	PTLXAFLLRCCUEC-UHFFFAOYSA-N	-1	0	292.299	0.810	20	30		CCEDRM
C=C(C)CN(CC)C(=O)COC(=O)[C@@H]1C[C@@H]1C(=O)[O-]	ZINC000736095075	581702160	/nfs/dbraw/zinc/70/21/60/581702160.db2.gz	HLEDEYQBWQPBAT-VHSXEESVSA-N	-1	0	269.297	0.675	20	30		CCEDRM
C=CCCC(=O)N(CCN1CCOCC1)CC(=O)[O-]	ZINC000736096581	581702169	/nfs/dbraw/zinc/70/21/69/581702169.db2.gz	PVYUGYQTFLXNNB-UHFFFAOYSA-N	-1	0	270.329	0.198	20	30		CCEDRM
C[C@H](OCC1CC1)C(=O)[N-]S(=O)(=O)CC1(C#N)CC1	ZINC000753946082	581713592	/nfs/dbraw/zinc/71/35/92/581713592.db2.gz	XTFNNUAONXWIOG-VIFPVBQESA-N	-1	0	286.353	0.551	20	30		CCEDRM
C=C(C)CN(CC)C(=O)Cn1[n-]cc2c(=O)ncnc1-2	ZINC000730525045	581717714	/nfs/dbraw/zinc/71/77/14/581717714.db2.gz	DNSLXDIHLMJBEW-UHFFFAOYSA-N	-1	0	275.312	0.496	20	30		CCEDRM
CC(C)[C@](C)(C#N)NC(=O)CN1CCC[C@H]1C(=O)[O-]	ZINC000736348468	581746402	/nfs/dbraw/zinc/74/64/02/581746402.db2.gz	ALBIZFVFEWXXMX-GWCFXTLKSA-N	-1	0	267.329	0.590	20	30		CCEDRM
CC(C)[C@H](C#N)N1CCN(C(=O)CN(C)C(=O)[O-])CC1	ZINC000736348047	581746831	/nfs/dbraw/zinc/74/68/31/581746831.db2.gz	QYLBGVSGEGKGAV-NSHDSACASA-N	-1	0	282.344	0.289	20	30		CCEDRM
CC(C)C[C@H](NC(=O)CN(CC#N)C1CC1)C(=O)[O-]	ZINC000736414257	581760206	/nfs/dbraw/zinc/76/02/06/581760206.db2.gz	XOLNNGNONIWWEZ-NSHDSACASA-N	-1	0	267.329	0.590	20	30		CCEDRM
CC(C)C[C@H](NC(=O)COC(=O)C1(C#N)CCC1)C(=O)[O-]	ZINC000736415819	581761230	/nfs/dbraw/zinc/76/12/30/581761230.db2.gz	PTAKEIPNHDCSMF-JTQLQIEISA-N	-1	0	296.323	0.839	20	30		CCEDRM
CS[C@@H](C)C(=O)[N-]S(=O)(=O)CC1(C#N)CCC1	ZINC000771073610	581789276	/nfs/dbraw/zinc/78/92/76/581789276.db2.gz	DQAYXCAAKSIPCQ-QMMMGPOBSA-N	-1	0	276.383	0.878	20	30		CCEDRM
C[C@@H]1C[C@@H]1C(=O)[N-]S(=O)(=O)CC1(C#N)CCC1	ZINC000771077379	581789746	/nfs/dbraw/zinc/78/97/46/581789746.db2.gz	PARKHMXGEHCLRJ-BDAKNGLRSA-N	-1	0	256.327	0.782	20	30		CCEDRM
C[C@H](OC(=O)CCCN(C)C(=O)[O-])C(=O)N(C)CCC#N	ZINC000736682418	581817139	/nfs/dbraw/zinc/81/71/39/581817139.db2.gz	FLOFRLBURYPHSQ-JTQLQIEISA-N	-1	0	299.327	0.680	20	30		CCEDRM
C=CCOCCCC(=O)[N-]S(=O)(=O)N(C)C(C)C	ZINC000744112673	581832001	/nfs/dbraw/zinc/83/20/01/581832001.db2.gz	SWOXGIGFGZUWDS-UHFFFAOYSA-N	-1	0	278.374	0.670	20	30		CCEDRM
CCN(C)S(=O)(=O)[N-]C(=O)COc1ccc(C#N)cc1	ZINC000744239161	581835610	/nfs/dbraw/zinc/83/56/10/581835610.db2.gz	QWUMJJWGSWCZCD-UHFFFAOYSA-N	-1	0	297.336	0.250	20	30		CCEDRM
CCS(=O)(=O)[N-]C(=O)[C@@H](C)Oc1ccc(C#N)cc1	ZINC000732606973	581837105	/nfs/dbraw/zinc/83/71/05/581837105.db2.gz	GHLAGUOKWUNXGB-SECBINFHSA-N	-1	0	282.321	0.791	20	30		CCEDRM
CC#CCCOC(=O)Cn1[n-]cc2c(=O)ncnc1-2	ZINC000760284148	581852833	/nfs/dbraw/zinc/85/28/33/581852833.db2.gz	MOJKHPFJQABOEB-UHFFFAOYSA-N	-1	0	260.253	0.028	20	30		CCEDRM
C=CCOCC(=O)[N-]S(=O)(=O)Cc1ccccc1OC	ZINC000760366874	581856695	/nfs/dbraw/zinc/85/66/95/581856695.db2.gz	VPJIZLOOGTZKBX-UHFFFAOYSA-N	-1	0	299.348	0.844	20	30		CCEDRM
Cc1cnc(N)c(S(=O)(=O)[N-]c2cnn(CC#N)c2)c1	ZINC000773230028	581916579	/nfs/dbraw/zinc/91/65/79/581916579.db2.gz	APLUMYQLWQDKEF-UHFFFAOYSA-N	-1	0	292.324	0.493	20	30		CCEDRM
C=CCN(CC(=O)[O-])C(=O)c1ccc(C(=O)NC)nc1	ZINC000762023360	581928544	/nfs/dbraw/zinc/92/85/44/581928544.db2.gz	VXMJGDKVGYUOJC-UHFFFAOYSA-N	-1	0	277.280	0.154	20	30		CCEDRM
C=CCN(CC(=O)[O-])C(=O)CNC(=O)OC(C)(C)C	ZINC000762050879	581930018	/nfs/dbraw/zinc/93/00/18/581930018.db2.gz	WSMKYVZYMHKSME-UHFFFAOYSA-N	-1	0	272.301	0.610	20	30		CCEDRM
CCOCCO[N-]C(=O)C(=O)Nc1cccc(C#N)c1C	ZINC000773627906	581936509	/nfs/dbraw/zinc/93/65/09/581936509.db2.gz	ZKRGBDRRNCDYFM-UHFFFAOYSA-N	-1	0	291.307	0.890	20	30		CCEDRM
CNC(=O)C(C#N)=C([O-])c1ccc(C(=O)OC)cc1F	ZINC000773981763	581951089	/nfs/dbraw/zinc/95/10/89/581951089.db2.gz	FLDATXHZCSBTOV-SECBINFHSA-N	-1	0	278.239	0.681	20	30		CCEDRM
C#CCOCCOC(=O)Cc1c(C)nc2cc[n-]n2c1=O	ZINC000762724217	581959122	/nfs/dbraw/zinc/95/91/22/581959122.db2.gz	GIAXMFJEXIPQSY-UHFFFAOYSA-N	-1	0	289.291	0.067	20	30		CCEDRM
Cn1ccnc(N=NCc2ccc(C(=O)[O-])cc2)c1=O	ZINC000748079106	581961108	/nfs/dbraw/zinc/96/11/08/581961108.db2.gz	CIQOLYYPIGEQCU-UHFFFAOYSA-N	-1	0	272.264	0.925	20	30		CCEDRM
C=CCS(=O)(=O)[N-]C(=O)CN(C)[C@H]1CCSC1	ZINC000774248141	581966747	/nfs/dbraw/zinc/96/67/47/581966747.db2.gz	BGQNLAWWSQFTEI-VIFPVBQESA-N	-1	0	278.399	0.056	20	30		CCEDRM
COC(=O)c1c(C)[nH]c(C(=O)N(CC#N)CC(=O)[O-])c1C	ZINC000737642438	581996580	/nfs/dbraw/zinc/99/65/80/581996580.db2.gz	DHLITSFLRJSXLH-UHFFFAOYSA-N	-1	0	293.279	0.469	20	30		CCEDRM
CC(=NNS(C)(=O)=O)c1ccc([O-])c([N+](=O)[O-])c1	ZINC000749625500	582015886	/nfs/dbraw/zinc/01/58/86/582015886.db2.gz	CLDJHIPUBWSHSK-UHFFFAOYSA-N	-1	0	273.270	0.574	20	30		CCEDRM
C=CCNC(=O)C(C#N)=C([O-])c1nccn2cc(C)nc12	ZINC000763933863	582021766	/nfs/dbraw/zinc/02/17/66/582021766.db2.gz	WMJYDCPMFZEKFP-JTQLQIEISA-N	-1	0	283.291	0.662	20	30		CCEDRM
Cc1[nH]nc2ncc(C(=O)N(CC#N)CC(=O)[O-])cc12	ZINC000738249519	582032236	/nfs/dbraw/zinc/03/22/36/582032236.db2.gz	VEQJYWFEDFKRTG-UHFFFAOYSA-N	-1	0	273.252	0.317	20	30		CCEDRM
Cc1c(C(=O)N(CC#N)CC(=O)[O-])cnn1-c1ccccn1	ZINC000738258891	582032657	/nfs/dbraw/zinc/03/26/57/582032657.db2.gz	VCEVLVBGOMBOPH-UHFFFAOYSA-N	-1	0	299.290	0.626	20	30		CCEDRM
C=CCOCCCC(=O)[N-]S(=O)(=O)C[C@H](C)OC	ZINC000764214093	582037119	/nfs/dbraw/zinc/03/71/19/582037119.db2.gz	CHUFWBGWCPMMDR-JTQLQIEISA-N	-1	0	279.358	0.450	20	30		CCEDRM
N#CCN1CCC(NC(=O)N2CCC[C@H](C(=O)[O-])C2)CC1	ZINC000738426099	582048388	/nfs/dbraw/zinc/04/83/88/582048388.db2.gz	MFGGNZQMRFVTDP-NSHDSACASA-N	-1	0	294.355	0.481	20	30		CCEDRM
N#Cc1ccc(C(=O)N2CCC[C@@H](NC(=O)[O-])C2)cn1	ZINC000738430472	582048815	/nfs/dbraw/zinc/04/88/15/582048815.db2.gz	KPMNJBZAHRQRDH-LLVKDONJSA-N	-1	0	274.280	0.825	20	30		CCEDRM
N#Cc1ccc(C(=O)NC2CCN(C(=O)[O-])CC2)cn1	ZINC000738431085	582049047	/nfs/dbraw/zinc/04/90/47/582049047.db2.gz	SJSQLICYGYTQHC-UHFFFAOYSA-N	-1	0	274.280	0.825	20	30		CCEDRM
N#Cc1ccc(NCC(=O)NCCCC(=O)[O-])cc1	ZINC000738430097	582049104	/nfs/dbraw/zinc/04/91/04/582049104.db2.gz	AGAKYBAOBIBZRN-UHFFFAOYSA-N	-1	0	261.281	0.951	20	30		CCEDRM
CC(C)(C#N)CS(=O)(=O)[N-]C(=O)[C@@H]1CCCCO1	ZINC000776141029	582052726	/nfs/dbraw/zinc/05/27/26/582052726.db2.gz	VFENGBVJGRWBJB-VIFPVBQESA-N	-1	0	274.342	0.551	20	30		CCEDRM
C#CCN1CCC[C@H]1C(=O)N[C@H]1CCC[C@H]1CNC(=O)[O-]	ZINC000738459856	582053171	/nfs/dbraw/zinc/05/31/71/582053171.db2.gz	GLMFQKGHCMCXJX-AVGNSLFASA-N	-1	0	293.367	0.637	20	30		CCEDRM
C#CCNC(=O)[C@@H](C)OC(=O)[C@](C)(CCC)NC(=O)[O-]	ZINC000738459804	582053205	/nfs/dbraw/zinc/05/32/05/582053205.db2.gz	DUHWBSBCJXXIBZ-RNCFNFMXSA-N	-1	0	284.312	0.494	20	30		CCEDRM
C#CCN1CCC[C@H]1C(=O)NC[C@@H]1CCCN(C(=O)[O-])C1	ZINC000738462282	582053217	/nfs/dbraw/zinc/05/32/17/582053217.db2.gz	YBNOBUYAAVKVOV-STQMWFEESA-N	-1	0	293.367	0.590	20	30		CCEDRM
C#Cc1ccc(C(=O)N2CCN(C(=O)[O-])C[C@H]2C)nc1	ZINC000738467309	582054518	/nfs/dbraw/zinc/05/45/18/582054518.db2.gz	LLXKZNKZVRVFIF-SNVBAGLBSA-N	-1	0	273.292	0.887	20	30		CCEDRM
CS[C@@H](C)C(=O)[N-]S(=O)(=O)CC(C)(C)C#N	ZINC000776144365	582054646	/nfs/dbraw/zinc/05/46/46/582054646.db2.gz	MSOPOIWSAJBQIR-ZETCQYMHSA-N	-1	0	264.372	0.734	20	30		CCEDRM
C=CCCOCC(=O)N1CCN(C(=O)[O-])[C@@H](C)C1	ZINC000738494019	582055959	/nfs/dbraw/zinc/05/59/59/582055959.db2.gz	WAJGTUPSFFGTGL-JTQLQIEISA-N	-1	0	256.302	0.790	20	30		CCEDRM
C=CCOCC(=O)NCC1CCN(C(=O)[O-])CC1	ZINC000738492709	582056147	/nfs/dbraw/zinc/05/61/47/582056147.db2.gz	XXRUNSRBUNCBCG-UHFFFAOYSA-N	-1	0	256.302	0.695	20	30		CCEDRM
Cc1ccc([N+](=O)[O-])c(C(=O)N(CC#N)CC(=O)[O-])c1	ZINC000738668299	582069291	/nfs/dbraw/zinc/06/92/91/582069291.db2.gz	WGQWKIYTJJAFLS-UHFFFAOYSA-N	-1	0	277.236	0.954	20	30		CCEDRM
CC(C)(C(=O)OCCCC#N)N1CCN(C(=O)[O-])CC1	ZINC000738665664	582069491	/nfs/dbraw/zinc/06/94/91/582069491.db2.gz	PRNRNLSCAYYRMU-UHFFFAOYSA-N	-1	0	283.328	0.908	20	30		CCEDRM
CC(C)[C@](C)(C#N)NC(=O)CN1CC[C@H](NC(=O)[O-])C1	ZINC000738768146	582074938	/nfs/dbraw/zinc/07/49/38/582074938.db2.gz	WAYFLPGUDAWLFW-GWCFXTLKSA-N	-1	0	282.344	0.383	20	30		CCEDRM
Cc1cnn(CCC(=O)N(CC#N)CC(=O)[O-])c1	ZINC000738811133	582078976	/nfs/dbraw/zinc/07/89/76/582078976.db2.gz	FOZKWHFJZBXGFI-UHFFFAOYSA-N	-1	0	250.258	0.018	20	30		CCEDRM
C=CCC[C@@H](NS(=O)(=O)C[C@@H](C)C(=O)OC)C(=O)[O-]	ZINC000776588721	582083118	/nfs/dbraw/zinc/08/31/18/582083118.db2.gz	QUGHWVWMHPYPOD-RKDXNWHRSA-N	-1	0	293.341	0.134	20	30		CCEDRM
CC(C)NC(=O)[C@H](C#N)C(=O)CSCC(=O)[O-]	ZINC000738852805	582083398	/nfs/dbraw/zinc/08/33/98/582083398.db2.gz	AJLBMMWZBFTGJM-SSDOTTSWSA-N	-1	0	258.299	0.038	20	30		CCEDRM
C[C@@H](CNC(=O)[O-])N(C)CC(=O)N[C@@](C)(C#N)C1CC1	ZINC000738941787	582092176	/nfs/dbraw/zinc/09/21/76/582092176.db2.gz	UTTOJIYYQQNPFF-ZANVPECISA-N	-1	0	282.344	0.383	20	30		CCEDRM
N#CCN(CC(=O)[O-])C(=O)[C@@H]1Cc2cc(F)ccc2O1	ZINC000739076587	582101382	/nfs/dbraw/zinc/10/13/82/582101382.db2.gz	APNCVGNGKYFROC-NSHDSACASA-N	-1	0	278.239	0.566	20	30		CCEDRM
N#CCN(CC(=O)[O-])C(=O)CCCn1cccn1	ZINC000739077116	582101516	/nfs/dbraw/zinc/10/15/16/582101516.db2.gz	IBIMFSGTNUBLBJ-UHFFFAOYSA-N	-1	0	250.258	0.100	20	30		CCEDRM
O=C([O-])Cn1cc(C=NNc2ccc(F)cc2)nn1	ZINC000768476003	582107163	/nfs/dbraw/zinc/10/71/63/582107163.db2.gz	HEHZURILFIGITR-UHFFFAOYSA-N	-1	0	263.232	0.948	20	30		CCEDRM
COc1ccc(CNN=Cc2cn(CC(=O)[O-])nn2)cc1	ZINC000768484812	582107250	/nfs/dbraw/zinc/10/72/50/582107250.db2.gz	XKEBZMLWOHYCJR-UHFFFAOYSA-N	-1	0	289.295	0.495	20	30		CCEDRM
C=C(Br)COC(=O)[C@H]1CN(C(=O)[O-])CCO1	ZINC000823474348	613238935	/nfs/dbraw/zinc/23/89/35/613238935.db2.gz	OEFMBYKLLORQIA-SSDOTTSWSA-N	-1	0	294.101	0.817	20	30		CCEDRM
CN(CCC(=O)[O-])c1ncc([N+](=O)[O-])cc1C#N	ZINC000050442159	596982493	/nfs/dbraw/zinc/98/24/93/596982493.db2.gz	ALPQQTWMLSXLFZ-UHFFFAOYSA-N	-1	0	250.214	0.772	20	30		CCEDRM
N#Cc1c(F)cccc1S(=O)(=O)N1CCC[C@@H]1C(=O)[O-]	ZINC000070393928	597373367	/nfs/dbraw/zinc/37/33/67/597373367.db2.gz	GOFZYZMQLVFTRB-SNVBAGLBSA-N	-1	0	298.295	0.935	20	30		CCEDRM
C#CCOCCNC(=O)N1CC[C@H](C(=O)[O-])[C@H](C)C1	ZINC000861455795	612986406	/nfs/dbraw/zinc/98/64/06/612986406.db2.gz	TVCHMVURLHMUOM-MNOVXSKESA-N	-1	0	268.313	0.388	20	30		CCEDRM
C#CCOCCNC(=O)NC1CCC(C(=O)[O-])CC1	ZINC000819706371	612986784	/nfs/dbraw/zinc/98/67/84/612986784.db2.gz	ZZUCDEZFOOMDIK-UHFFFAOYSA-N	-1	0	268.313	0.579	20	30		CCEDRM
N#Cc1ccc(NC(=O)C(=O)N2CC[C@@H](C(=O)[O-])C2)cc1	ZINC000819100306	597523688	/nfs/dbraw/zinc/52/36/88/597523688.db2.gz	DCIRXJHTHNYFBV-SNVBAGLBSA-N	-1	0	287.275	0.430	20	30		CCEDRM
C[C@](C#N)(CC(=O)[O-])C(=O)NC1CCC(C(N)=O)CC1	ZINC000819822654	597643845	/nfs/dbraw/zinc/64/38/45/597643845.db2.gz	PFGPHRZUXMMIPG-KJHLLKJSSA-N	-1	0	281.312	0.151	20	30		CCEDRM
C[C@](C#N)(CC(=O)[O-])C(=O)N1CCC[C@@H]1Cn1cccn1	ZINC000819811520	597643872	/nfs/dbraw/zinc/64/38/72/597643872.db2.gz	QFNLHQYFTSZVJB-BXUZGUMPSA-N	-1	0	290.323	0.879	20	30		CCEDRM
Cc1cnn(CCNC(=O)[C@@](C)(C#N)CC(=O)[O-])c1	ZINC000821147182	597648895	/nfs/dbraw/zinc/64/88/95/597648895.db2.gz	ZOLSPMCRFWKPFR-GFCCVEGCSA-N	-1	0	264.285	0.312	20	30		CCEDRM
C[C@@H](CNC(=O)[C@](C)(C#N)CC(=O)[O-])CC1(C)OCCO1	ZINC000820095626	597650170	/nfs/dbraw/zinc/65/01/70/597650170.db2.gz	KFDFGKMQIJKCPU-MFKMUULPSA-N	-1	0	298.339	0.896	20	30		CCEDRM
C[C@](C#N)(CC(=O)[O-])C(=O)N[C@@H]1C=C[C@H](CO)C1	ZINC000819849102	597651535	/nfs/dbraw/zinc/65/15/35/597651535.db2.gz	WYGNMHIYQQHFFM-YGOYTEALSA-N	-1	0	252.270	0.044	20	30		CCEDRM
C[C@](C#N)(CC(=O)[O-])C(=O)NC[C@H](O)C(F)(F)F	ZINC000819834977	597652734	/nfs/dbraw/zinc/65/27/34/597652734.db2.gz	RJHLMFADUSMOCM-YLWLKBPMSA-N	-1	0	268.191	0.030	20	30		CCEDRM
C[C@@](C#N)(CC(=O)[O-])C(=O)NCCc1ccc(O)c(O)c1	ZINC000819842120	597656687	/nfs/dbraw/zinc/65/66/87/597656687.db2.gz	JKLXCEZEKDHSSB-AWEZNQCLSA-N	-1	0	292.291	0.761	20	30		CCEDRM
C[C@@](C#N)(CC(=O)[O-])C(=O)N1CC[C@@H](CCO)C1	ZINC000819812161	597659526	/nfs/dbraw/zinc/65/95/26/597659526.db2.gz	YYZNBBRSLJTKAG-CABZTGNLSA-N	-1	0	254.286	0.222	20	30		CCEDRM
N#Cc1ccc([C@H](O)C(=O)N2CC[C@@H](C(=O)[O-])C2)cc1	ZINC000821329545	597669087	/nfs/dbraw/zinc/66/90/87/597669087.db2.gz	ASCMPLMOUUHNQN-NEPJUHHUSA-N	-1	0	274.276	0.525	20	30		CCEDRM
O=C([O-])CCNN=Cc1ccc(-n2cncn2)c(F)c1	ZINC000821525069	597744014	/nfs/dbraw/zinc/74/40/14/597744014.db2.gz	XUNZXHSWQFNKGX-UHFFFAOYSA-N	-1	0	277.259	0.805	20	30		CCEDRM
Cc1nc2sccn2c1C=NOCC(=O)NCC(=O)[O-]	ZINC000821182471	597761779	/nfs/dbraw/zinc/76/17/79/597761779.db2.gz	YNOMZMLJKKJNAQ-UHFFFAOYSA-N	-1	0	296.308	0.256	20	30		CCEDRM
COc1ncccc1CNC(=O)[C@@](C)(C#N)CC(=O)[O-]	ZINC000820885491	598223551	/nfs/dbraw/zinc/22/35/51/598223551.db2.gz	AJJDVLUTSZCXSJ-CYBMUJFWSA-N	-1	0	277.280	0.711	20	30		CCEDRM
Cc1nn(C)cc1[C@@H](C)NC(=O)[C@](C)(C#N)CC(=O)[O-]	ZINC000821209373	598227617	/nfs/dbraw/zinc/22/76/17/598227617.db2.gz	UUBNPGMEBMKOKZ-OQPBUACISA-N	-1	0	278.312	0.910	20	30		CCEDRM
C#CCO[C@@H](C)C(=O)N[C@@H](C(=O)[O-])C1CCOCC1	ZINC000910018720	612997010	/nfs/dbraw/zinc/99/70/10/612997010.db2.gz	UHQNXKIIGAYEBW-GXSJLCMTSA-N	-1	0	269.297	0.021	20	30		CCEDRM
C#CCO[C@H](C)C(=O)[N-]S(=O)(=O)c1ccc(F)cc1	ZINC000835028371	613002119	/nfs/dbraw/zinc/00/21/19/613002119.db2.gz	HYQCBTPIVPBZTL-SECBINFHSA-N	-1	0	285.296	0.669	20	30		CCEDRM
C#CCO[C@H](C)C(=O)N1CC[C@@H](OC)C[C@@H]1C(=O)[O-]	ZINC000909984416	613000124	/nfs/dbraw/zinc/00/01/24/613000124.db2.gz	NLVUSVUQUGSDBR-GMTAPVOTSA-N	-1	0	269.297	0.115	20	30		CCEDRM
C#CCO[C@H](C)C(=O)N[C@H](Cc1ccncc1)C(=O)[O-]	ZINC000911427781	613003332	/nfs/dbraw/zinc/00/33/32/613003332.db2.gz	SCGWBBJEZCMSKM-ZYHUDNBSSA-N	-1	0	276.292	0.232	20	30		CCEDRM
N#CCCNC(=O)CN[C@H](C(=O)[O-])c1ccccc1	ZINC000050510823	599759284	/nfs/dbraw/zinc/75/92/84/599759284.db2.gz	ZEDNAUNBYDDCQY-LBPRGKRZSA-N	-1	0	261.281	0.432	20	30		CCEDRM
C#CC(C)(C)N(C)S(=O)(=O)c1c[nH]c(C(=O)[O-])c1	ZINC000871951541	612945859	/nfs/dbraw/zinc/94/58/59/612945859.db2.gz	QMFBPPFFDBMLDO-UHFFFAOYSA-N	-1	0	270.310	0.745	20	30		CCEDRM
C#CCNC(=O)N1CCC[C@@H]([C@@H](C)NC(=O)[O-])C1	ZINC000823456084	612946518	/nfs/dbraw/zinc/94/65/18/612946518.db2.gz	JQTPVASEOTZBAE-NXEZZACHSA-N	-1	0	253.302	0.697	20	30		CCEDRM
O=C([O-])c1ccc(Cn2ccc(C=NO)nc2=O)cc1	ZINC000740140862	600207506	/nfs/dbraw/zinc/20/75/06/600207506.db2.gz	QHPUTBOXMGWKGH-UHFFFAOYSA-N	-1	0	273.248	0.798	20	30		CCEDRM
COC(=O)c1cc(C#N)c(=O)n(C/C=C(/C)C(=O)[O-])c1	ZINC000831235623	600727591	/nfs/dbraw/zinc/72/75/91/600727591.db2.gz	AIQSCPVKBMOPKU-BAQGIRSFSA-N	-1	0	276.248	0.537	20	30		CCEDRM
Cc1cccc(NC(=O)C(=O)NCCC(=O)[O-])c1C#N	ZINC000818944231	600897351	/nfs/dbraw/zinc/89/73/51/600897351.db2.gz	IGJUQPHGQPBAPF-UHFFFAOYSA-N	-1	0	275.264	0.396	20	30		CCEDRM
N#CCN(CCOc1ccc(C#N)cc1)CC(=O)[O-]	ZINC000833067752	601002973	/nfs/dbraw/zinc/00/29/73/601002973.db2.gz	ZSTKNTLXHFQXAT-UHFFFAOYSA-N	-1	0	259.265	0.847	20	30		CCEDRM
Cc1ccccc1CNC(=O)CN(CC#N)CC(=O)[O-]	ZINC000832978110	601005071	/nfs/dbraw/zinc/00/50/71/601005071.db2.gz	JXRMUQFIXXPRGQ-UHFFFAOYSA-N	-1	0	275.308	0.521	20	30		CCEDRM
N#CCNC(=O)COC(=O)[C@H]1CCC[C@@H](C(=O)[O-])C1	ZINC000833066669	601186048	/nfs/dbraw/zinc/18/60/48/601186048.db2.gz	FXDIVJGRNFEKQB-BDAKNGLRSA-N	-1	0	268.269	0.060	20	30		CCEDRM
COc1cccc(C#CCOC(=O)CNC(=O)[O-])c1	ZINC000832514867	601206924	/nfs/dbraw/zinc/20/69/24/601206924.db2.gz	JJZSAQZJJHQROX-UHFFFAOYSA-N	-1	0	263.249	0.858	20	30		CCEDRM
COc1ccc(C(=O)[O-])cc1S(=O)(=O)N[C@H](C)CC#N	ZINC000050391989	601230090	/nfs/dbraw/zinc/23/00/90/601230090.db2.gz	JCPITBCGBRNOOU-MRVPVSSYSA-N	-1	0	298.320	0.974	20	30		CCEDRM
N#Cc1ccc(CCC(=O)N2CCOC[C@H]2C(=O)[O-])cc1	ZINC000833072697	601607169	/nfs/dbraw/zinc/60/71/69/601607169.db2.gz	PFHSUBJNAHFVCD-ZDUSSCGKSA-N	-1	0	288.303	0.803	20	30		CCEDRM
C=CCSCCNS(=O)(=O)C[C@@H](C)C(=O)[O-]	ZINC000825702290	601782403	/nfs/dbraw/zinc/78/24/03/601782403.db2.gz	IGYUMRWAWSGTCO-MRVPVSSYSA-N	-1	0	267.372	0.546	20	30		CCEDRM
Cn1ncc2c1ncnc2N=NCc1c[nH]c(C(=O)[O-])c1	ZINC000814803728	601797157	/nfs/dbraw/zinc/79/71/57/601797157.db2.gz	LOGZNHSFUBGIHH-UHFFFAOYSA-N	-1	0	285.267	0.836	20	30		CCEDRM
CC(C)[C@@](C)(C#N)NC(=O)[C@@H](C)OC(=O)CN(C)C(=O)[O-]	ZINC000739040591	602206591	/nfs/dbraw/zinc/20/65/91/602206591.db2.gz	CRQRVEQVAAGGFB-NOZJJQNGSA-N	-1	0	299.327	0.582	20	30		CCEDRM
C#CCSCCNC(=O)[C@@H]1CC[C@H](NC(=O)[O-])C1	ZINC000823466810	613017675	/nfs/dbraw/zinc/01/76/75/613017675.db2.gz	JBURSUSMCBSLQP-ZJUUUORDSA-N	-1	0	270.354	0.905	20	30		CCEDRM
Cn1cc(C#N)cc1C(=O)N1CCC[C@@H]1CNC(=O)[O-]	ZINC000830985828	603545045	/nfs/dbraw/zinc/54/50/45/603545045.db2.gz	YKFGJDNLZQGVNT-SNVBAGLBSA-N	-1	0	276.296	0.769	20	30		CCEDRM
N#C[C@@H]1CN(C(=O)[O-])CCN1C(=O)c1ccnc(F)c1	ZINC000831091360	603594768	/nfs/dbraw/zinc/59/47/68/603594768.db2.gz	CDZSCPKAFMMTCB-SECBINFHSA-N	-1	0	278.243	0.549	20	30		CCEDRM
N#C[C@H]1CN(C(=O)[O-])CCN1CC(=O)NC1CCCC1	ZINC000831092085	603726168	/nfs/dbraw/zinc/72/61/68/603726168.db2.gz	PMGXVEIQIUXYKH-NSHDSACASA-N	-1	0	280.328	0.233	20	30		CCEDRM
N#CCCn1ccc(NC(=O)CC2CN(C(=O)[O-])C2)n1	ZINC000831097938	603816283	/nfs/dbraw/zinc/81/62/83/603816283.db2.gz	ZBTBCDSDXASWLE-UHFFFAOYSA-N	-1	0	277.284	0.735	20	30		CCEDRM
N#CCNC(=O)CNc1cc(NC(=O)[O-])ccc1F	ZINC000831102531	603868990	/nfs/dbraw/zinc/86/89/90/603868990.db2.gz	MNOUHDVQHLMIRL-UHFFFAOYSA-N	-1	0	266.232	0.967	20	30		CCEDRM
N#CCCN(CCC#N)C(=O)[C@@]1(F)CCN(C(=O)[O-])C1	ZINC000831097930	603985873	/nfs/dbraw/zinc/98/58/73/603985873.db2.gz	ZAJOOBZSDKWSBC-GFCCVEGCSA-N	-1	0	282.275	0.734	20	30		CCEDRM
N#C[C@@H]1CN(C(=O)[O-])CCN1C(=O)c1c[nH]c2ncccc12	ZINC000831087523	604073787	/nfs/dbraw/zinc/07/37/87/604073787.db2.gz	MRQOQCZOZKFWIU-SECBINFHSA-N	-1	0	299.290	0.891	20	30		CCEDRM
N#C[C@@H]1CN(C(=O)[O-])CCN1C(=O)C1=CCCCO1	ZINC000831076270	604083131	/nfs/dbraw/zinc/08/31/31/604083131.db2.gz	IWXGCNJNRLQOPL-SECBINFHSA-N	-1	0	265.269	0.395	20	30		CCEDRM
N#C[C@H]1CN(C(=O)[O-])CCN1C(=O)C1=CCCCO1	ZINC000831076271	604083181	/nfs/dbraw/zinc/08/31/81/604083181.db2.gz	IWXGCNJNRLQOPL-VIFPVBQESA-N	-1	0	265.269	0.395	20	30		CCEDRM
Cc1cc(C(=O)N2CCN(C(=O)[O-])C[C@@H]2C#N)c(C)n1C	ZINC000829930126	604086434	/nfs/dbraw/zinc/08/64/34/604086434.db2.gz	IMILYXWYHMGWHD-NSHDSACASA-N	-1	0	290.323	0.970	20	30		CCEDRM
N#C[C@@H]1CN(C(=O)[O-])CCN1C(=O)CCc1ccoc1	ZINC000831083091	604088822	/nfs/dbraw/zinc/08/88/22/604088822.db2.gz	VYNJVPWVSUFMHB-LLVKDONJSA-N	-1	0	277.280	0.927	20	30		CCEDRM
N#CCN(CC#N)C(=O)CC1(NC(=O)[O-])CCC1	ZINC000831097269	604135659	/nfs/dbraw/zinc/13/56/59/604135659.db2.gz	HIRHHHJAUDRIOZ-UHFFFAOYSA-N	-1	0	250.258	0.443	20	30		CCEDRM
Cn1cc(C#N)c(NC(=O)N[C@@H]2CCCN(C(=O)[O-])C2)n1	ZINC000830984346	604154747	/nfs/dbraw/zinc/15/47/47/604154747.db2.gz	DFCMGBXFJMHHJO-SECBINFHSA-N	-1	0	292.299	0.556	20	30		CCEDRM
C[C@@H](CN(C)C(=O)[O-])C(=O)OCCn1ncc(C#N)c1N	ZINC000824896657	604256808	/nfs/dbraw/zinc/25/68/08/604256808.db2.gz	YILJQOWXPZOMQY-QMMMGPOBSA-N	-1	0	295.299	0.126	20	30		CCEDRM
N#Cc1ncn(CC(=O)N(CC(=O)[O-])Cc2ccccc2)n1	ZINC000833079651	604287270	/nfs/dbraw/zinc/28/72/70/604287270.db2.gz	YNAVAAUIFROVSB-UHFFFAOYSA-N	-1	0	299.290	0.263	20	30		CCEDRM
N#C[C@H]1COCCN1C(=O)c1ccc(C(=O)[O-])c(F)c1	ZINC000833061343	604292353	/nfs/dbraw/zinc/29/23/53/604292353.db2.gz	AGQBVEZOYFCRRM-VIFPVBQESA-N	-1	0	278.239	0.888	20	30		CCEDRM
N#Cc1ncn(CC(=O)N(CC(=O)[O-])C2CCCC2)n1	ZINC000833078296	604340567	/nfs/dbraw/zinc/34/05/67/604340567.db2.gz	GDGGTFSWCZZIOS-UHFFFAOYSA-N	-1	0	277.284	0.006	20	30		CCEDRM
N#C[C@H]1CN(C(=O)[O-])CCN1C(=O)[C@@H]1CC12CCC2	ZINC000831076897	604373451	/nfs/dbraw/zinc/37/34/51/604373451.db2.gz	UKJVOLNMINHVFO-UWVGGRQHSA-N	-1	0	263.297	0.891	20	30		CCEDRM
C#CCNC(=O)c1ccc(N[C@@H](CC)C(=O)[O-])nc1	ZINC000843036115	612952682	/nfs/dbraw/zinc/95/26/82/612952682.db2.gz	IRTUXOHWXYRZFS-JTQLQIEISA-N	-1	0	261.281	0.720	20	30		CCEDRM
C[C@H](NC(=O)[O-])[C@@H]1CN(C(=O)c2cc(C#N)c[nH]2)CCO1	ZINC000825325063	604447880	/nfs/dbraw/zinc/44/78/80/604447880.db2.gz	ISYKEOVEASYECR-KWQFWETISA-N	-1	0	292.295	0.383	20	30		CCEDRM
C=CCCOCCNC(=O)NCC(C)(C)C(=O)[O-]	ZINC000231836984	604639590	/nfs/dbraw/zinc/63/95/90/604639590.db2.gz	BQTDPHUGPMFILN-UHFFFAOYSA-N	-1	0	258.318	0.989	20	30		CCEDRM
N#Cc1ccc(OCCc2cn(CC(=O)[O-])nn2)c(F)c1	ZINC000833072385	604791344	/nfs/dbraw/zinc/79/13/44/604791344.db2.gz	YAGCRESGCSWJDN-UHFFFAOYSA-N	-1	0	290.254	0.995	20	30		CCEDRM
C#CCNC(=S)NCc1cc(-c2nn[nH]n2)ccc1F	ZINC000823850951	612953761	/nfs/dbraw/zinc/95/37/61/612953761.db2.gz	WCXCVIGGXIUTIG-UHFFFAOYSA-N	-1	0	290.327	0.603	20	30		CCEDRM
C[C@H](C(N)=O)N(C)[C@@H](C(=O)[O-])c1ccc(C#N)cc1	ZINC000833408947	604972290	/nfs/dbraw/zinc/97/22/90/604972290.db2.gz	XWRNVTQGSNNBBD-LDYMZIIASA-N	-1	0	261.281	0.490	20	30		CCEDRM
C[C@@H](C(N)=O)N(C)[C@H](C(=O)[O-])c1ccc(C#N)cc1	ZINC000833408946	604972753	/nfs/dbraw/zinc/97/27/53/604972753.db2.gz	XWRNVTQGSNNBBD-KWQFWETISA-N	-1	0	261.281	0.490	20	30		CCEDRM
C#CCCCCC(=O)N[C@@H](CC(=O)OC)C(=O)[O-]	ZINC000234535495	605004735	/nfs/dbraw/zinc/00/47/35/605004735.db2.gz	JXBBKRKFVJRWGT-VIFPVBQESA-N	-1	0	255.270	0.313	20	30		CCEDRM
C[C@H](CC#N)N(C)S(=O)(=O)c1csnc1C(=O)[O-]	ZINC000833516639	605024939	/nfs/dbraw/zinc/02/49/39/605024939.db2.gz	ZFEHFUZTOHILOJ-ZCFIWIBFSA-N	-1	0	289.338	0.764	20	30		CCEDRM
C[C@@H](C(=O)[O-])n1cccc1C=NN1CCOCC1	ZINC000833408282	605038382	/nfs/dbraw/zinc/03/83/82/605038382.db2.gz	SDHOJOZYURFDAK-JTQLQIEISA-N	-1	0	251.286	0.800	20	30		CCEDRM
Cc1ccc(C#N)c(N2CCC([C@H](O)C(=O)[O-])CC2)n1	ZINC000833747516	605161163	/nfs/dbraw/zinc/16/11/63/605161163.db2.gz	SMCYEFQQOSWXRC-LBPRGKRZSA-N	-1	0	275.308	0.924	20	30		CCEDRM
CC(C)CN(CCC#N)CN1C[C@@H](C(=O)[O-])CC1=O	ZINC000833488964	605170328	/nfs/dbraw/zinc/17/03/28/605170328.db2.gz	VHZUNXZONILZGE-NSHDSACASA-N	-1	0	267.329	0.749	20	30		CCEDRM
N#CCOc1ccc(Cn2nnnc2CNC(=O)[O-])cc1	ZINC000831109523	605180407	/nfs/dbraw/zinc/18/04/07/605180407.db2.gz	LHXLNUYFQYOULP-UHFFFAOYSA-N	-1	0	288.267	0.391	20	30		CCEDRM
C[C@H](CC#N)NS(=O)(=O)c1cc(C(=O)[O-])co1	ZINC000694211127	605198992	/nfs/dbraw/zinc/19/89/92/605198992.db2.gz	TXKCGUSRKDMZTH-ZCFIWIBFSA-N	-1	0	258.255	0.558	20	30		CCEDRM
N#CC1(C(=O)OC[C@H]2CCCN2C(=O)[O-])CCOCC1	ZINC000831070869	605199557	/nfs/dbraw/zinc/19/95/57/605199557.db2.gz	UDJVFQHDLKJGLZ-SNVBAGLBSA-N	-1	0	282.296	0.992	20	30		CCEDRM
C#CCOCCNS(=O)(=O)c1ccc(C(=O)[O-])cc1	ZINC000833366065	605418380	/nfs/dbraw/zinc/41/83/80/605418380.db2.gz	DTZGSQMHOMPAQJ-UHFFFAOYSA-N	-1	0	283.305	0.313	20	30		CCEDRM
N#CC1(C(=O)OC2CCN(C(=O)[O-])CC2)CCOCC1	ZINC000833964921	605420217	/nfs/dbraw/zinc/42/02/17/605420217.db2.gz	UOWIVSHZOXCACT-UHFFFAOYSA-N	-1	0	282.296	0.992	20	30		CCEDRM
N#C[C@@H]1CN(C(=O)CC[C@H]2CCN(C(=O)[O-])C2)CCO1	ZINC000833966143	605458509	/nfs/dbraw/zinc/45/85/09/605458509.db2.gz	ICAPJJGYRJAJMG-WDEREUQCSA-N	-1	0	281.312	0.517	20	30		CCEDRM
C[C@H](NC(=O)[O-])[C@H]1CCN(c2ccc(C#N)nn2)C1	ZINC000833815516	605502440	/nfs/dbraw/zinc/50/24/40/605502440.db2.gz	HKTPAOWCUXRHJW-IUCAKERBSA-N	-1	0	261.285	0.831	20	30		CCEDRM
N#CC1(C(=O)NC[C@@H]2CCN(C(=O)[O-])C2)CCC1	ZINC000833964276	605533601	/nfs/dbraw/zinc/53/36/01/605533601.db2.gz	DMWTWNSIYMODSK-VIFPVBQESA-N	-1	0	251.286	0.796	20	30		CCEDRM
C[C@@H](CS(=O)(=O)N1CCC(C)(C#N)CC1)C(=O)[O-]	ZINC000833517984	605611037	/nfs/dbraw/zinc/61/10/37/605611037.db2.gz	FMGTUJWOXVHGMK-VIFPVBQESA-N	-1	0	274.342	0.663	20	30		CCEDRM
N#CCN(CC#N)C(=O)c1ccc(NC(=O)[O-])cc1O	ZINC000833966764	605644520	/nfs/dbraw/zinc/64/45/20/605644520.db2.gz	LAZIUDPZAMSADC-UHFFFAOYSA-N	-1	0	274.236	0.971	20	30		CCEDRM
N#Cc1cccc(C(=O)Cn2nnnc2CNC(=O)[O-])c1	ZINC000833977632	605680492	/nfs/dbraw/zinc/68/04/92/605680492.db2.gz	VMNNKCZIIBVDSG-UHFFFAOYSA-N	-1	0	286.251	0.195	20	30		CCEDRM
N#C[C@@H]1CN(C(=O)[O-])C[C@@H]1NC[C@@H](O)c1cccc(F)c1	ZINC000833966535	605685365	/nfs/dbraw/zinc/68/53/65/605685365.db2.gz	LSHNAQSIGHLIOZ-KGYLQXTDSA-N	-1	0	293.298	0.951	20	30		CCEDRM
Cc1onc(CC(=O)NC2CCN(C(=O)[O-])CC2)c1C#N	ZINC000833936717	605693377	/nfs/dbraw/zinc/69/33/77/605693377.db2.gz	PTBVQQKXKGRXME-UHFFFAOYSA-N	-1	0	292.295	0.656	20	30		CCEDRM
Cc1onc(CC(=O)NCCN(C(=O)[O-])C2CC2)c1C#N	ZINC000833937267	605695817	/nfs/dbraw/zinc/69/58/17/605695817.db2.gz	VVKKLHQHBMNPGN-UHFFFAOYSA-N	-1	0	292.295	0.656	20	30		CCEDRM
C#CCCNC(=O)c1ccc([N-]S(C)(=O)=O)nc1	ZINC000859379286	613047901	/nfs/dbraw/zinc/04/79/01/613047901.db2.gz	ZPXGLFZVONYDGD-UHFFFAOYSA-N	-1	0	267.310	0.206	20	30		CCEDRM
Cc1nnc(CN[C@H]2CN(C(=O)[O-])C[C@H]2C#N)s1	ZINC000833927490	605809449	/nfs/dbraw/zinc/80/94/49/605809449.db2.gz	SYDFEIGXAPODFZ-SFYZADRCSA-N	-1	0	267.314	0.438	20	30		CCEDRM
N#Cc1ccc([C@H](O)C(=O)N2CCCN2C(=O)[O-])cc1	ZINC000833974819	605847311	/nfs/dbraw/zinc/84/73/11/605847311.db2.gz	XSAQIRIOSXAQKR-NSHDSACASA-N	-1	0	275.264	0.719	20	30		CCEDRM
C[C@@]1(C(=O)OCC(=O)NCCC#N)CCCCN1C(=O)[O-]	ZINC000833822444	605863663	/nfs/dbraw/zinc/86/36/63/605863663.db2.gz	QSMOEQNZFGJMGN-ZDUSSCGKSA-N	-1	0	297.311	0.482	20	30		CCEDRM
N#CC1(NC(=O)[C@H]2CC23CCN(C(=O)[O-])CC3)CC1	ZINC000833964680	605963991	/nfs/dbraw/zinc/96/39/91/605963991.db2.gz	NJXFZTZHJDOAIV-SECBINFHSA-N	-1	0	263.297	0.939	20	30		CCEDRM
N#C[C@H]1CSCCN1C(=O)[C@@H]1CCCN(C(=O)[O-])C1	ZINC000833968210	605973232	/nfs/dbraw/zinc/97/32/32/605973232.db2.gz	USAQZJUUPYKAPL-ZJUUUORDSA-N	-1	0	283.353	0.844	20	30		CCEDRM
Cc1ccc(C(=O)N2CCN(C(=O)[O-])C[C@@H]2C#N)nc1	ZINC000833903358	605976069	/nfs/dbraw/zinc/97/60/69/605976069.db2.gz	FMGUEOTUDBLIKO-JTQLQIEISA-N	-1	0	274.280	0.718	20	30		CCEDRM
N#C[C@H]1CSCCN1C(=O)C1CCN(C(=O)[O-])CC1	ZINC000833965868	605978483	/nfs/dbraw/zinc/97/84/83/605978483.db2.gz	FTAXHJNAUWOKPR-JTQLQIEISA-N	-1	0	283.353	0.844	20	30		CCEDRM
N#CCN(CN1C[C@H](NC(=O)[O-])CC1=O)C1CCCC1	ZINC000833968164	605995869	/nfs/dbraw/zinc/99/58/69/605995869.db2.gz	XXLKWEZDACKSOM-SNVBAGLBSA-N	-1	0	280.328	0.581	20	30		CCEDRM
N#C[C@@]1(NC(=O)[C@H](CC(F)F)NC(=O)[O-])CCSC1	ZINC000833964925	606030079	/nfs/dbraw/zinc/03/00/79/606030079.db2.gz	UPLCHXVQMIOJFU-WKEGUHRASA-N	-1	0	293.295	0.793	20	30		CCEDRM
C#CCCS(=O)(=O)[N-]C(=O)C1(C(F)(F)F)CC1	ZINC000810783484	613052479	/nfs/dbraw/zinc/05/24/79/613052479.db2.gz	RWHUJZGQAQNINK-UHFFFAOYSA-N	-1	0	269.244	0.798	20	30		CCEDRM
C#CCCS(=O)(=O)[N-]C(=O)c1ncccc1OCC	ZINC000810783862	613053926	/nfs/dbraw/zinc/05/39/26/613053926.db2.gz	IAXMSVJXTGSKSG-UHFFFAOYSA-N	-1	0	282.321	0.563	20	30		CCEDRM
CC1(C)C[C@@H]1C(=O)Nc1nc(C#N)c(-c2nn[nH]n2)[n-]1	ZINC000824796061	607808998	/nfs/dbraw/zinc/80/89/98/607808998.db2.gz	MBWDPGVZJBLCOK-RXMQYKEDSA-N	-1	0	272.272	0.446	20	30		CCEDRM
C#CC[C@H](NC(=O)[C@H](Cc1ccccc1)OC)C(=O)[O-]	ZINC000910050154	613069190	/nfs/dbraw/zinc/06/91/90/613069190.db2.gz	GLYCIARQGDJZBA-STQMWFEESA-N	-1	0	275.304	0.837	20	30		CCEDRM
C#CC[C@H](NC(=O)[C@H]1CCCc2n[nH]cc21)C(=O)[O-]	ZINC000910048535	613069457	/nfs/dbraw/zinc/06/94/57/613069457.db2.gz	MEKOSPRATSDUQC-KWQFWETISA-N	-1	0	261.281	0.422	20	30		CCEDRM
C#CC[C@H](NC(=O)c1onc2c1CCCC2)C(=O)[O-]	ZINC000910050384	613070882	/nfs/dbraw/zinc/07/08/82/613070882.db2.gz	JGEVWSDKKCYJJC-JTQLQIEISA-N	-1	0	262.265	0.760	20	30		CCEDRM
C=CCCC(=O)[N-]S(=O)(=O)C[C@H](COC)OC	ZINC000853203354	613462667	/nfs/dbraw/zinc/46/26/67/613462667.db2.gz	FYLROBZNSWJZPL-VIFPVBQESA-N	-1	0	265.331	0.060	20	30		CCEDRM
C#CCC(C)(C)C(=O)[N-]S(=O)(=O)c1ccccn1	ZINC000810586466	612966138	/nfs/dbraw/zinc/96/61/38/612966138.db2.gz	JRUGCEJROSBJOJ-UHFFFAOYSA-N	-1	0	266.322	0.936	20	30		CCEDRM
C=CCOC[C@H](NC(=O)C1(C(F)F)CC1)C(=O)[O-]	ZINC000844155020	613882268	/nfs/dbraw/zinc/88/22/68/613882268.db2.gz	FCUOXBXQVSQGIP-ZETCQYMHSA-N	-1	0	263.240	0.804	20	30		CCEDRM
CC(C)(C)OC(=O)CCC(=O)[N-]S(=O)(=O)CCC#N	ZINC000835408279	613963899	/nfs/dbraw/zinc/96/38/99/613963899.db2.gz	GCEDNYGMZILAIF-UHFFFAOYSA-N	-1	0	290.341	0.468	20	30		CCEDRM
CC(C)(C)[S@@](C)(=O)=NS(=O)(=O)[N-]CCC#N	ZINC000872480104	614044827	/nfs/dbraw/zinc/04/48/27/614044827.db2.gz	RDPKVQVNTHNEBS-OAHLLOKOSA-N	-1	0	267.376	0.631	20	30		CCEDRM
CC(C)[C@@](C)(C#N)NC(=O)CN1CCC[C@H]1CNC(=O)[O-]	ZINC000824057993	614180373	/nfs/dbraw/zinc/18/03/73/614180373.db2.gz	UOTKMPZCAOLUCX-SMDDNHRTSA-N	-1	0	296.371	0.773	20	30		CCEDRM
C#CCCCNC(=O)C(=O)[N-]OC1CCCCC1	ZINC000806910458	612980228	/nfs/dbraw/zinc/98/02/28/612980228.db2.gz	WLEXZBPKVFVCHP-UHFFFAOYSA-N	-1	0	252.314	0.897	20	30		CCEDRM
COc1ccc(C(=O)[O-])cc1C=NNC[C@@H](C)O	ZINC000901247694	617235310	/nfs/dbraw/zinc/23/53/10/617235310.db2.gz	KPLUHVQXCJYNNZ-MRVPVSSYSA-N	-1	0	252.270	0.698	20	30		CCEDRM
COc1ccc2c(c1)C(=NNCCC(=O)[O-])C(=O)N2	ZINC000820853292	617283385	/nfs/dbraw/zinc/28/33/85/617283385.db2.gz	IDTRVYKBAMJNRP-UHFFFAOYSA-N	-1	0	263.253	0.416	20	30		CCEDRM
CSc1[n-]c(=O)c(C(=O)NC[C@H]2COCO2)cc1C#N	ZINC000861966062	617283401	/nfs/dbraw/zinc/28/34/01/617283401.db2.gz	TXVVLMUFHQZPGI-QMMMGPOBSA-N	-1	0	295.320	0.483	20	30		CCEDRM
COc1cccc(CC(=O)N[C@H]2CCCN(O)C2=O)c1	ZINC000816759276	617295699	/nfs/dbraw/zinc/29/56/99/617295699.db2.gz	JKECRERINAJPSE-LBPRGKRZSA-N	-1	0	278.308	0.734	20	30		CCEDRM
COc1cccc(OCC(=O)[N-]S(=O)(=O)CCC#N)c1	ZINC000835412756	617306211	/nfs/dbraw/zinc/30/62/11/617306211.db2.gz	VWYXITVHPFOWGO-UHFFFAOYSA-N	-1	0	298.320	0.434	20	30		CCEDRM
C#CC1(O)CN(C(=O)c2ccc([O-])c(Cl)c2)C1	ZINC000890519590	612959192	/nfs/dbraw/zinc/95/91/92/612959192.db2.gz	AGFGPNRWLVLJRC-UHFFFAOYSA-N	-1	0	251.669	0.866	20	30		CCEDRM
C#CC1(O)CN(S(=O)(=O)c2ccc(C(=O)[O-])cc2C)C1	ZINC000907127430	612961845	/nfs/dbraw/zinc/96/18/45/612961845.db2.gz	KWAGARRQZOMGSF-UHFFFAOYSA-N	-1	0	295.316	0.062	20	30		CCEDRM
C#CCC1(C(=O)NC[C@@](C)(O)C(=O)[O-])CCCCC1	ZINC000911473145	612968300	/nfs/dbraw/zinc/96/83/00/612968300.db2.gz	ROGXDLUYHPXAGV-CYBMUJFWSA-N	-1	0	267.325	0.912	20	30		CCEDRM
C#CCC1(O)CCN(C(=O)c2cncc(O)c2)CC1	ZINC000882523886	612972926	/nfs/dbraw/zinc/97/29/26/612972926.db2.gz	CRHKPRBIEPUSCD-UHFFFAOYSA-N	-1	0	260.293	0.778	20	30		CCEDRM
C#CCOCCC(=O)N1CCC[C@H](c2n[nH]c(=O)[n-]2)C1	ZINC000843878094	612977836	/nfs/dbraw/zinc/97/78/36/612977836.db2.gz	LIQRVHSOYQPHRB-JTQLQIEISA-N	-1	0	278.312	0.256	20	30		CCEDRM
C#CCCCCNC(=O)N[C@H](C(=O)[O-])[C@@H]1CCCOC1	ZINC000797723191	612978195	/nfs/dbraw/zinc/97/81/95/612978195.db2.gz	BFNHHAHYKVOIDZ-NEPJUHHUSA-N	-1	0	282.340	0.969	20	30		CCEDRM
C#CCCCn1nc(CC)c(CC)c(-c2nnn[n-]2)c1=O	ZINC000823844946	612986122	/nfs/dbraw/zinc/98/61/22/612986122.db2.gz	LBUKLBVCOJLWJJ-UHFFFAOYSA-N	-1	0	286.339	0.962	20	30		CCEDRM
C#CCOCCNS(=O)(=O)Cc1cccc(C(=O)[O-])c1	ZINC000833366090	612989622	/nfs/dbraw/zinc/98/96/22/612989622.db2.gz	GCJLYSPXOZCZIA-UHFFFAOYSA-N	-1	0	297.332	0.454	20	30		CCEDRM
C#CCO[N-]C(=O)C(C)(C)N1C(=O)c2ccccc2C1=O	ZINC000812786719	612991932	/nfs/dbraw/zinc/99/19/32/612991932.db2.gz	QBJQSWLBGVQXKK-UHFFFAOYSA-N	-1	0	286.287	0.742	20	30		CCEDRM
C#CCO[N-]C(=O)C1=NN(Cc2ccccc2)C(=O)CC1	ZINC000855603067	612991937	/nfs/dbraw/zinc/99/19/37/612991937.db2.gz	LDRQVYKZCRMHLQ-UHFFFAOYSA-N	-1	0	285.303	0.846	20	30		CCEDRM
C#CCO[N-]C(=O)CNC(=O)c1ccc(F)c(F)c1	ZINC000812783044	612992086	/nfs/dbraw/zinc/99/20/86/612992086.db2.gz	VVJWWJIPZUQZBC-UHFFFAOYSA-N	-1	0	268.219	0.376	20	30		CCEDRM
C#CCO[N-]C(=O)Cc1nn(C)c(=O)c2ccccc12	ZINC000812784115	612992331	/nfs/dbraw/zinc/99/23/31/612992331.db2.gz	VUUXDRSQISMBAS-UHFFFAOYSA-N	-1	0	271.276	0.157	20	30		CCEDRM
C#CCO[N-]C(=O)[C@@H]1CCCN1C(=O)C(F)(F)F	ZINC000812781202	612992629	/nfs/dbraw/zinc/99/26/29/612992629.db2.gz	KXAXESAWSQZXEZ-ZETCQYMHSA-N	-1	0	264.203	0.221	20	30		CCEDRM
C#CCO[N-]C(=O)[C@@H]1CCCN1c1nccs1	ZINC000812785665	612992717	/nfs/dbraw/zinc/99/27/17/612992717.db2.gz	CJTAHCFKVRFXRJ-VIFPVBQESA-N	-1	0	251.311	0.793	20	30		CCEDRM
C#CCO[N-]C(=O)[C@H]1CCS(=O)(=O)c2ccccc21	ZINC000812781607	612993114	/nfs/dbraw/zinc/99/31/14/612993114.db2.gz	BQHYNFHCCXAZMU-NSHDSACASA-N	-1	0	279.317	0.629	20	30		CCEDRM
C#CCO[C@@H](C)C(=O)N(CCC(=O)[O-])Cc1ccncc1	ZINC000911525194	612993969	/nfs/dbraw/zinc/99/39/69/612993969.db2.gz	PYZMZDHICLQVRR-LBPRGKRZSA-N	-1	0	290.319	0.923	20	30		CCEDRM
C#CCO[C@@H](C)C(=O)NCC1(C(=O)[O-])CCOCC1	ZINC000909520656	612995707	/nfs/dbraw/zinc/99/57/07/612995707.db2.gz	DHYXNKVHUZDZRB-JTQLQIEISA-N	-1	0	269.297	0.022	20	30		CCEDRM
C#CCO[C@@H](C)C(=O)N[C@H](C(=O)[O-])c1ccc(OC)cc1	ZINC000909329698	612997264	/nfs/dbraw/zinc/99/72/64/612997264.db2.gz	XKUISANXDHNXDY-GWCFXTLKSA-N	-1	0	291.303	0.975	20	30		CCEDRM
C#CCO[C@@H](C)C(=O)N[C@@H](c1nnn[n-]1)c1ccccc1	ZINC000913437825	612997474	/nfs/dbraw/zinc/99/74/74/612997474.db2.gz	OMVHBGAAKUFUHY-CMPLNLGQSA-N	-1	0	285.307	0.444	20	30		CCEDRM
C#CCO[C@H](C)C(=O)NC[C@H](CC(=O)[O-])C1CC1	ZINC000909969663	613001839	/nfs/dbraw/zinc/00/18/39/613001839.db2.gz	UEYHMFKRQWCHJP-KOLCDFICSA-N	-1	0	253.298	0.642	20	30		CCEDRM
C#CCO[C@H](C)C(=O)[N-]S(=O)(=O)[C@H]1COC(C)(C)C1	ZINC000861138165	613002052	/nfs/dbraw/zinc/00/20/52/613002052.db2.gz	ADCINUOKXOYTHQ-NXEZZACHSA-N	-1	0	289.353	0.038	20	30		CCEDRM
C#CCO[C@H](C)C(=O)[N-]S(=O)(=O)CCCC(C)(F)F	ZINC000893802813	613002181	/nfs/dbraw/zinc/00/21/81/613002181.db2.gz	XRAZAUZEUCEVKA-SECBINFHSA-N	-1	0	297.323	0.906	20	30		CCEDRM
C#CCO[C@H](C)C(=O)N[C@H](CC1CCOCC1)C(=O)[O-]	ZINC000910453457	613002923	/nfs/dbraw/zinc/00/29/23/613002923.db2.gz	NJHYILBUWCLIFF-ZYHUDNBSSA-N	-1	0	283.324	0.411	20	30		CCEDRM
C#CCOc1ccccc1CNC(=O)N[C@@H](CF)C(=O)[O-]	ZINC000908960316	613007989	/nfs/dbraw/zinc/00/79/89/613007989.db2.gz	CNIGIKUJWNZWBC-NSHDSACASA-N	-1	0	294.282	0.921	20	30		CCEDRM
C#CC[C@@H](NC(=O)C1(CC)CCOCC1)C(=O)[O-]	ZINC000910050877	613039520	/nfs/dbraw/zinc/03/95/20/613039520.db2.gz	PGUFJMDMESNBJK-SNVBAGLBSA-N	-1	0	253.298	0.786	20	30		CCEDRM
C#CC[C@@H](NC(=O)C1(CCOC)CCC1)C(=O)[O-]	ZINC000910054464	613039608	/nfs/dbraw/zinc/03/96/08/613039608.db2.gz	ORRKGNCQTDYSAK-SNVBAGLBSA-N	-1	0	253.298	0.786	20	30		CCEDRM
C#CC[C@@H](NC(=O)COCc1ccc(OC)nc1)C(=O)[O-]	ZINC000910050145	613040052	/nfs/dbraw/zinc/04/00/52/613040052.db2.gz	GEYGNKBFKIGTPF-LLVKDONJSA-N	-1	0	292.291	0.200	20	30		CCEDRM
C#CC[C@@H](NC(=O)[C@@H]1CCn2cncc2C1)C(=O)[O-]	ZINC000910048187	613040775	/nfs/dbraw/zinc/04/07/75/613040775.db2.gz	GLYJFSLHJLYTAO-MWLCHTKSSA-N	-1	0	261.281	0.038	20	30		CCEDRM
C#CC[C@@H](NC(=O)c1cc(C(C)(C)C)n[nH]1)C(=O)[O-]	ZINC000910052971	613041540	/nfs/dbraw/zinc/04/15/40/613041540.db2.gz	LOHKEGCKGORZIT-MRVPVSSYSA-N	-1	0	263.297	0.914	20	30		CCEDRM
C#CC[C@@H](NC(=O)c1c(C2CCC2)cnn1C)C(=O)[O-]	ZINC000910046359	613041575	/nfs/dbraw/zinc/04/15/75/613041575.db2.gz	NGANZILOQHTVEV-LLVKDONJSA-N	-1	0	275.308	0.894	20	30		CCEDRM
C#CC[C@@H](NC(=O)c1cc(C(F)F)n[nH]1)C(=O)[O-]	ZINC000910050633	613041581	/nfs/dbraw/zinc/04/15/81/613041581.db2.gz	MHVDBFUUBDCFEZ-RXMQYKEDSA-N	-1	0	257.196	0.554	20	30		CCEDRM
C#CC[C@@H](NC(=O)c1ccnc(C2CC2)n1)C(=O)[O-]	ZINC000910052282	613041993	/nfs/dbraw/zinc/04/19/93/613041993.db2.gz	SBFAQYZDDUVCIW-SNVBAGLBSA-N	-1	0	259.265	0.560	20	30		CCEDRM
C#CCCNC(=O)N[C@@H]1CCC[C@H]1CNC(=O)[O-]	ZINC000823444576	613047564	/nfs/dbraw/zinc/04/75/64/613047564.db2.gz	MYKVZNILEYZODJ-VHSXEESVSA-N	-1	0	253.302	0.745	20	30		CCEDRM
C#CCCS(=O)(=O)[N-]C(=O)[C@@](C)(C=C)CCOC	ZINC000810781431	613053121	/nfs/dbraw/zinc/05/31/21/613053121.db2.gz	BPKCMUNATJORTC-LBPRGKRZSA-N	-1	0	273.354	0.685	20	30		CCEDRM
C#CCCS(=O)(=O)[N-]C(=O)[C@H](C)[C@@H](C)COC	ZINC000813095724	613053460	/nfs/dbraw/zinc/05/34/60/613053460.db2.gz	ZXZMYGQBHMPSKS-VHSXEESVSA-N	-1	0	261.343	0.374	20	30		CCEDRM
C#CCCS(=O)(=O)[N-]C(=O)c1cnc2n1CCCCC2	ZINC000857023202	613053765	/nfs/dbraw/zinc/05/37/65/613053765.db2.gz	OFDVWPMYMPCDCT-UHFFFAOYSA-N	-1	0	295.364	0.692	20	30		CCEDRM
C#CCCS(=O)(=O)[N-]C(=O)c1cncnc1C(C)C	ZINC000810779161	613053894	/nfs/dbraw/zinc/05/38/94/613053894.db2.gz	BEDKDKKDYWYRAN-UHFFFAOYSA-N	-1	0	281.337	0.683	20	30		CCEDRM
C#CC[C@H](CO)NC(=O)c1s[n-]c(=O)c1Cl	ZINC000854540699	613058665	/nfs/dbraw/zinc/05/86/65/613058665.db2.gz	BLLPKCGAACKEFU-RXMQYKEDSA-N	-1	0	260.702	0.616	20	30		CCEDRM
C#CC[C@H](NC(=O)CCC(=O)NC1CCCC1)C(=O)[O-]	ZINC000910054587	613067607	/nfs/dbraw/zinc/06/76/07/613067607.db2.gz	QYJIPBOPVNZQFY-NSHDSACASA-N	-1	0	280.324	0.418	20	30		CCEDRM
C#CC[C@H](NC(=O)Cc1cn2c(n1)CCCC2)C(=O)[O-]	ZINC000910046501	613068238	/nfs/dbraw/zinc/06/82/38/613068238.db2.gz	RFFHZWMIUWJDRK-NSHDSACASA-N	-1	0	275.308	0.355	20	30		CCEDRM
C#CC[C@H](NC(=O)[C@@H]1CC12CC(OCC)C2)C(=O)[O-]	ZINC000910048208	613068833	/nfs/dbraw/zinc/06/88/33/613068833.db2.gz	GUHUSBYNADTIJV-JXJNQWLDSA-N	-1	0	265.309	0.784	20	30		CCEDRM
C#CC[C@H](NC(=O)[C@@H](c1ccccc1)N(C)C)C(=O)[O-]	ZINC000910051799	613068817	/nfs/dbraw/zinc/06/88/17/613068817.db2.gz	HSDAJBAGRTXUEN-QWHCGFSZSA-N	-1	0	274.320	0.882	20	30		CCEDRM
C#CC[C@H](NC(=O)[C@@H]1CCc2ncncc2C1)C(=O)[O-]	ZINC000910046440	613069092	/nfs/dbraw/zinc/06/90/92/613069092.db2.gz	PLMWHNBUOSGFBJ-SKDRFNHKSA-N	-1	0	273.292	0.174	20	30		CCEDRM
C#CCN(C(=O)[C@H]1CN(C(=O)[O-])CCO1)C1CCCC1	ZINC000823450643	613069602	/nfs/dbraw/zinc/06/96/02/613069602.db2.gz	FGULQNJFSDOSPT-GFCCVEGCSA-N	-1	0	280.324	0.770	20	30		CCEDRM
C#CC[C@H](NC(=O)[C@]12C[C@H]1COC2(C)C)C(=O)[O-]	ZINC000910045824	613069697	/nfs/dbraw/zinc/06/96/97/613069697.db2.gz	HNUWIWIESXQMNW-RVBZMBCESA-N	-1	0	251.282	0.394	20	30		CCEDRM
C#CC[C@H](NC(=O)c1cc(CC)nnc1C)C(=O)[O-]	ZINC000910050600	613069914	/nfs/dbraw/zinc/06/99/14/613069914.db2.gz	LRPKRJAPNNJJAC-NSHDSACASA-N	-1	0	261.281	0.554	20	30		CCEDRM
C#CCn1ccc(CN(CC)C(=O)[C@H](CC)C(=O)[O-])n1	ZINC000911721464	613078694	/nfs/dbraw/zinc/07/86/94/613078694.db2.gz	RDXNHDUVXIAKON-LBPRGKRZSA-N	-1	0	277.324	0.976	20	30		CCEDRM
C#C[C@@H](CO)NC(=O)c1cc(C)c(OCC(=O)[O-])c(C)c1	ZINC000911613479	613089314	/nfs/dbraw/zinc/08/93/14/613089314.db2.gz	ZWSOPWZOXFJUPR-LBPRGKRZSA-N	-1	0	291.303	0.491	20	30		CCEDRM
C#C[C@@H](NC(=O)NCCOCC(=O)[O-])c1ccc(F)cc1	ZINC000874409236	613095979	/nfs/dbraw/zinc/09/59/79/613095979.db2.gz	XFXHVDYMSRLORF-GFCCVEGCSA-N	-1	0	294.282	0.900	20	30		CCEDRM
C#CCN(CC#C)CC(=O)N[C@@H](C(=O)[O-])[C@@H](C)CC	ZINC000825608853	613098993	/nfs/dbraw/zinc/09/89/93/613098993.db2.gz	MQUKSIZSWZATAW-WCQYABFASA-N	-1	0	264.325	0.170	20	30		CCEDRM
C#CCN(CC#C)CC(=O)Nc1ccccc1C(=O)[O-]	ZINC000825609061	613099014	/nfs/dbraw/zinc/09/90/14/613099014.db2.gz	QAGKYUDDUSXHAZ-UHFFFAOYSA-N	-1	0	270.288	0.892	20	30		CCEDRM
C#CCN(CC#C)S(=O)(=O)c1cc(C(=O)[O-])c(C)o1	ZINC000825609261	613099327	/nfs/dbraw/zinc/09/93/27/613099327.db2.gz	ZFIQXTDYOANEDD-UHFFFAOYSA-N	-1	0	281.289	0.543	20	30		CCEDRM
C#CCN(CC(=O)[O-])S(=O)(=O)CCCCC#N	ZINC000849219302	613103578	/nfs/dbraw/zinc/10/35/78/613103578.db2.gz	PLOOMBKXWDRQRS-UHFFFAOYSA-N	-1	0	258.299	0.030	20	30		CCEDRM
C#CCN(CC(=O)[O-])S(=O)(=O)CCCc1ccccc1	ZINC000903858051	613103606	/nfs/dbraw/zinc/10/36/06/613103606.db2.gz	WWCCTXSLWNWWFT-UHFFFAOYSA-N	-1	0	295.360	0.969	20	30		CCEDRM
C#CCN(CC(=O)[O-])S(=O)(=O)[C@@H](C)CC(C)C	ZINC000849219473	613103612	/nfs/dbraw/zinc/10/36/12/613103612.db2.gz	XMULEYDLLGVTIA-JTQLQIEISA-N	-1	0	261.343	0.771	20	30		CCEDRM
C#CCN(CC(=O)[O-])S(=O)(=O)c1cccc(OCC)c1	ZINC000849219143	613103981	/nfs/dbraw/zinc/10/39/81/613103981.db2.gz	JUHGUOSPCZOXLX-UHFFFAOYSA-N	-1	0	297.332	0.794	20	30		CCEDRM
C#C[C@H](C)NC(=O)[C@H]1CC(C(=O)[O-])=NN1c1ccccc1	ZINC000911393426	613118526	/nfs/dbraw/zinc/11/85/26/613118526.db2.gz	SYLFUZNMWGQNJN-GXFFZTMASA-N	-1	0	285.303	0.844	20	30		CCEDRM
C#Cc1ccc(C(=O)N2CC[C@@H](N(C)C(=O)[O-])C2)nc1	ZINC000823467542	613171649	/nfs/dbraw/zinc/17/16/49/613171649.db2.gz	ZMGKTKWGLCFAPJ-LLVKDONJSA-N	-1	0	273.292	0.887	20	30		CCEDRM
C#CCN1CCC[C@H](NC(=O)C(F)(F)F)[C@@H]1C(=O)[O-]	ZINC000852732535	613180943	/nfs/dbraw/zinc/18/09/43/613180943.db2.gz	DJTFCMYBZTXBFD-JGVFFNPUSA-N	-1	0	278.230	0.216	20	30		CCEDRM
C#CCN1CCC[C@H]1C(=O)N[C@H](CCC=C)C(=O)[O-]	ZINC000909716156	613201992	/nfs/dbraw/zinc/20/19/92/613201992.db2.gz	QBBRIWRSDTURBW-NEPJUHHUSA-N	-1	0	264.325	0.620	20	30		CCEDRM
C#CCN1CCC[C@H]1C(=O)Nc1ncc(C(=O)OCC)[n-]1	ZINC000846651331	613203552	/nfs/dbraw/zinc/20/35/52/613203552.db2.gz	RPFGNDGDNXOEJD-NSHDSACASA-N	-1	0	290.323	0.623	20	30		CCEDRM
C#CCN1CCN(C(=O)Cc2ccc(C(=O)[O-])cc2)CC1	ZINC000911150393	613206128	/nfs/dbraw/zinc/20/61/28/613206128.db2.gz	KBBOOWUMMQTZAB-UHFFFAOYSA-N	-1	0	286.331	0.705	20	30		CCEDRM
C#Cc1ccccc1CC(=O)NCCc1nc(=O)o[n-]1	ZINC000811470533	613206400	/nfs/dbraw/zinc/20/64/00/613206400.db2.gz	COMJRLVUQUBXSZ-UHFFFAOYSA-N	-1	0	271.276	0.246	20	30		CCEDRM
C#Cc1cncc(C(=O)N[C@H](C(=O)[O-])[C@@H]2CCCOC2)c1	ZINC000909540687	613220935	/nfs/dbraw/zinc/22/09/35/613220935.db2.gz	BXPHCULLVPSOPP-YPMHNXCESA-N	-1	0	288.303	0.673	20	30		CCEDRM
C/C(=C/COC(=O)C1(C#N)CCOCC1)C(=O)[O-]	ZINC000825754338	613242811	/nfs/dbraw/zinc/24/28/11/613242811.db2.gz	XSWIFZJZHLWHGL-MBXJOHMKSA-N	-1	0	253.254	0.881	20	30		CCEDRM
C#CCNC(=O)CN1Cc2ccc(C(=O)[O-])cc2C1	ZINC000131279254	613330735	/nfs/dbraw/zinc/33/07/35/613330735.db2.gz	MKUHJNSHWBKQJS-UHFFFAOYSA-N	-1	0	258.277	0.450	20	30		CCEDRM
C=C(C)CN1c2c(cnn2C)C([O-])=CS1(=O)=O	ZINC000902834428	613346392	/nfs/dbraw/zinc/34/63/92/613346392.db2.gz	WZAZKZCQFKLXDF-UHFFFAOYSA-N	-1	0	255.299	0.329	20	30		CCEDRM
C=C(C)CO[N-]C(=O)C(=O)Nc1cc(C2CC2)n(C)n1	ZINC000846145874	613352368	/nfs/dbraw/zinc/35/23/68/613352368.db2.gz	DBYXTOQOQLFGHY-UHFFFAOYSA-N	-1	0	278.312	0.860	20	30		CCEDRM
C=C(C)CO[N-]C(=O)C(=O)Nc1cnn2c1CCCC2	ZINC000873934459	613352412	/nfs/dbraw/zinc/35/24/12/613352412.db2.gz	MPIYFMLQKQJXOW-UHFFFAOYSA-N	-1	0	278.312	0.782	20	30		CCEDRM
C=C(C)CO[N-]C(=O)CNS(=O)(=O)c1cccs1	ZINC000846539003	613352433	/nfs/dbraw/zinc/35/24/33/613352433.db2.gz	WJWZSKGWKXAHOA-UHFFFAOYSA-N	-1	0	290.366	0.650	20	30		CCEDRM
C=C(C)CO[N-]C(=O)[C@H](NS(=O)(=O)C1CC1)C(C)C	ZINC000855026454	613353871	/nfs/dbraw/zinc/35/38/71/613353871.db2.gz	FMGXIVNFLQEIMD-LLVKDONJSA-N	-1	0	290.385	0.717	20	30		CCEDRM
C=C(C)C[C@@H](NC(=O)c1cn(CCC)nn1)C(=O)[O-]	ZINC000910293178	613356185	/nfs/dbraw/zinc/35/61/85/613356185.db2.gz	VIPKHUBEUKKUSO-SECBINFHSA-N	-1	0	266.301	0.837	20	30		CCEDRM
C=C(C)C[C@@H](NC(=O)c1cnn(C)c1C)C(=O)[O-]	ZINC000910287142	613356262	/nfs/dbraw/zinc/35/62/62/613356262.db2.gz	OEOCOOQUBFWRLZ-SNVBAGLBSA-N	-1	0	251.286	0.878	20	30		CCEDRM
C=C(C)C[C@H](C)C(=O)[N-]S(=O)(=O)c1cn(C)cn1	ZINC000838991858	613357098	/nfs/dbraw/zinc/35/70/98/613357098.db2.gz	XRBSZDSZJPGUNZ-VIFPVBQESA-N	-1	0	271.342	0.827	20	30		CCEDRM
C=C(C)C[C@H](NC(=O)/C=C/c1cnn(C)c1)C(=O)[O-]	ZINC000864187060	613358589	/nfs/dbraw/zinc/35/85/89/613358589.db2.gz	CUBVRGIJBYVIND-ZWNMCFTASA-N	-1	0	263.297	0.969	20	30		CCEDRM
C=C(C)C[C@H](NC(=O)NCCn1ccnc1C)C(=O)[O-]	ZINC000908914690	613358744	/nfs/dbraw/zinc/35/87/44/613358744.db2.gz	XNFKKGYXTWREMQ-NSHDSACASA-N	-1	0	280.328	0.910	20	30		CCEDRM
C=C(C)C[C@H](NC(=O)N[C@H]1COC[C@H]1C)C(=O)[O-]	ZINC000905607307	613358876	/nfs/dbraw/zinc/35/88/76/613358876.db2.gz	KEQPDEXHFOUGSD-UTLUCORTSA-N	-1	0	256.302	0.740	20	30		CCEDRM
C=C(C)C[C@H](NC(C)=O)C(=O)[N-]S(=O)(=O)C1CCC1	ZINC000850989176	613359488	/nfs/dbraw/zinc/35/94/88/613359488.db2.gz	KMXCCJKRDDLADJ-NSHDSACASA-N	-1	0	288.369	0.456	20	30		CCEDRM
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CC([C@@H](F)C(=O)[O-])C1	ZINC000910126133	613360995	/nfs/dbraw/zinc/36/09/95/613360995.db2.gz	VKJHELXNQGVABB-AXFHLTTASA-N	-1	0	271.288	0.849	20	30		CCEDRM
C=C(C)[C@@H]1OCC[C@@H]1C(=O)NC1CC(C(=O)[O-])C1	ZINC000902647454	613361247	/nfs/dbraw/zinc/36/12/47/613361247.db2.gz	BVGRCHJFZWJCGK-TVUZUIDESA-N	-1	0	253.298	0.947	20	30		CCEDRM
C=C(C)[C@@H]1OCC[C@@H]1C(=O)NCC1(C(=O)[O-])CC1	ZINC000909642352	613361298	/nfs/dbraw/zinc/36/12/98/613361298.db2.gz	HMYUXMDSHQLQKB-UWVGGRQHSA-N	-1	0	253.298	0.949	20	30		CCEDRM
C=C(C)[C@@H]1OCC[C@@H]1C(=O)NCCc1n[n-]c(=S)o1	ZINC000907461484	613361452	/nfs/dbraw/zinc/36/14/52/613361452.db2.gz	LPQVFYXKIIJIBR-WPRPVWTQSA-N	-1	0	283.353	0.998	20	30		CCEDRM
C=C(C)[C@H](CC(=O)N1CCO[C@@H](C(=O)[O-])C1)OCC	ZINC000819706360	613362212	/nfs/dbraw/zinc/36/22/12/613362212.db2.gz	YOSAUWNBGWNZKE-WDEREUQCSA-N	-1	0	271.313	0.670	20	30		CCEDRM
C=C(C)[C@H](CC(=O)N1CC[C@](O)(C(=O)[O-])C1)OCC	ZINC000910524410	613362265	/nfs/dbraw/zinc/36/22/65/613362265.db2.gz	BQONTIWUVGJRPT-GXFFZTMASA-N	-1	0	271.313	0.406	20	30		CCEDRM
C=C(C)[C@H](CC(=O)N[C@@H]1CCO[C@@H]1C(=O)[O-])OCC	ZINC000909944394	613362285	/nfs/dbraw/zinc/36/22/85/613362285.db2.gz	WFCXOGZXVUIUQT-SCVCMEIPSA-N	-1	0	271.313	0.716	20	30		CCEDRM
C=C(Cl)C[C@H](NC(=O)CN1CCCCC1=O)C(=O)[O-]	ZINC000864188286	613390488	/nfs/dbraw/zinc/39/04/88/613390488.db2.gz	GLQRBHTYOSJXPI-VIFPVBQESA-N	-1	0	288.731	0.711	20	30		CCEDRM
C=C(Cl)C[C@H](NC(=O)N[C@H]1CCOC1)C(=O)[O-]	ZINC000864525549	613390722	/nfs/dbraw/zinc/39/07/22/613390722.db2.gz	DPWKCYXJCALAPU-YUMQZZPRSA-N	-1	0	262.693	0.670	20	30		CCEDRM
C=C(Cl)C[C@H](NC(=O)c1cnn(CC)n1)C(=O)[O-]	ZINC000910269511	613390814	/nfs/dbraw/zinc/39/08/14/613390814.db2.gz	BYCLGFIQGKGKKY-ZETCQYMHSA-N	-1	0	272.692	0.624	20	30		CCEDRM
C=C(Cl)C[C@H](NS(=O)(=O)C[C@@H]1CCOC1)C(=O)[O-]	ZINC000863420163	613390950	/nfs/dbraw/zinc/39/09/50/613390950.db2.gz	KRBLTBZDYIJCIQ-BDAKNGLRSA-N	-1	0	297.760	0.538	20	30		CCEDRM
C=CC[C@@H](CO)CNC(=O)c1ccc(-c2nn[nH]n2)cc1	ZINC000823888071	613402153	/nfs/dbraw/zinc/40/21/53/613402153.db2.gz	FCQMSZUKJSDTFB-SNVBAGLBSA-N	-1	0	287.323	0.781	20	30		CCEDRM
C=CC[C@@H](CO)CNC(=O)[C@@H](NC(=O)[O-])C(C)C	ZINC000833371804	613402161	/nfs/dbraw/zinc/40/21/61/613402161.db2.gz	WOZHEHNXPHEGSR-ZJUUUORDSA-N	-1	0	258.318	0.579	20	30		CCEDRM
C=CC[C@@H](CO)CNS(=O)(=O)c1cc(C(=O)[O-])co1	ZINC000833370480	613403163	/nfs/dbraw/zinc/40/31/63/613403163.db2.gz	KUPPNQYIKIRKLG-MRVPVSSYSA-N	-1	0	289.309	0.441	20	30		CCEDRM
C=CC[C@@H](CO)NC(=O)Cc1cc(=O)n(CC(C)C)[n-]1	ZINC000935374535	613403899	/nfs/dbraw/zinc/40/38/99/613403899.db2.gz	BWVIZTCYCRDTFL-NSHDSACASA-N	-1	0	281.356	0.428	20	30		CCEDRM
C=CCn1cc(C(=O)N2CCC[C@@H]3C[C@@]32C(=O)[O-])nn1	ZINC000923146694	613425542	/nfs/dbraw/zinc/42/55/42/613425542.db2.gz	HXJDBFUPBUSPQX-RNCFNFMXSA-N	-1	0	276.296	0.543	20	30		CCEDRM
C=CCn1nnn(CN2CCO[C@@H](CC(=O)[O-])C2)c1=S	ZINC000825711090	613439340	/nfs/dbraw/zinc/43/93/40/613439340.db2.gz	NZJKQFWWUDAHOV-VIFPVBQESA-N	-1	0	299.356	0.128	20	30		CCEDRM
C=C[C@@H](C)O[N-]C(=O)C(=O)Nc1cc(C)[nH]c1C(=O)OC	ZINC000846152471	613443204	/nfs/dbraw/zinc/44/32/04/613443204.db2.gz	BBIJDVYAZWARDF-MRVPVSSYSA-N	-1	0	295.295	0.671	20	30		CCEDRM
C=C[C@@H](C)O[N-]C(=O)C1(n2cnnn2)CCCCC1	ZINC000846555198	613443236	/nfs/dbraw/zinc/44/32/36/613443236.db2.gz	RJAMZENWUICQIL-SNVBAGLBSA-N	-1	0	265.317	0.955	20	30		CCEDRM
C=C[C@@H](C)O[N-]C(=O)C(=O)Nc1cnn(C)c1C	ZINC000846154576	613443274	/nfs/dbraw/zinc/44/32/74/613443274.db2.gz	OBHYXLOFJJEWCO-SSDOTTSWSA-N	-1	0	252.274	0.289	20	30		CCEDRM
C=C[C@@H](C)O[N-]C(=O)C1(N2CCOCC2)CCC1	ZINC000846547341	613443287	/nfs/dbraw/zinc/44/32/87/613443287.db2.gz	DJWZTDXNGOVTQO-LLVKDONJSA-N	-1	0	254.330	0.864	20	30		CCEDRM
C=C[C@@H](C)O[N-]C(=O)C(=O)Nc1cnn(CC)c1	ZINC000846155874	613443353	/nfs/dbraw/zinc/44/33/53/613443353.db2.gz	XFZRGWUOQYCSLY-MRVPVSSYSA-N	-1	0	252.274	0.464	20	30		CCEDRM
C=C[C@@H](C)O[N-]C(=O)C(=O)Nc1ccn(CCCOC)n1	ZINC000846154927	613443362	/nfs/dbraw/zinc/44/33/62/613443362.db2.gz	RBGNSXPUWLNFGJ-SNVBAGLBSA-N	-1	0	296.327	0.480	20	30		CCEDRM
C=CC(C)(C)CNC(=O)CCCn1c(=O)[n-][nH]c1=O	ZINC000908939101	613447958	/nfs/dbraw/zinc/44/79/58/613447958.db2.gz	DGHAAKQMDDHTCA-UHFFFAOYSA-N	-1	0	268.317	0.798	20	30		CCEDRM
C=CC1(S(=O)(=O)[N-]C(=O)CN2CCCCC2=O)CC1	ZINC000870838458	613450444	/nfs/dbraw/zinc/45/04/44/613450444.db2.gz	ZYGAWBLQHBRJTI-UHFFFAOYSA-N	-1	0	286.353	0.164	20	30		CCEDRM
C=CC1(S(=O)(=O)[N-]C(=O)[C@H]2CC2(F)F)CC1	ZINC000870837268	613451724	/nfs/dbraw/zinc/45/17/24/613451724.db2.gz	FMLIQUOEDRLEBU-ZCFIWIBFSA-N	-1	0	251.254	0.806	20	30		CCEDRM
C=C[C@@H](O)C(=O)N[C@@H](CC(=O)[O-])c1ccncc1	ZINC000911663205	613452093	/nfs/dbraw/zinc/45/20/93/613452093.db2.gz	NFAZJOWWMVPWIB-VHSXEESVSA-N	-1	0	250.254	0.261	20	30		CCEDRM
C=CC1CCN(C(=O)C(=O)NC[C@H](CC)C(=O)[O-])CC1	ZINC000927958706	613452217	/nfs/dbraw/zinc/45/22/17/613452217.db2.gz	CUEXUASJUNEMGG-NSHDSACASA-N	-1	0	282.340	0.638	20	30		CCEDRM
CC(=O)N1CC[C@@H](CN(C)C(=O)[C@](C)(C#N)CC(=O)[O-])C1	ZINC000819731012	613452492	/nfs/dbraw/zinc/45/24/92/613452492.db2.gz	CVVQIZQEXSVWFJ-FZMZJTMJSA-N	-1	0	295.339	0.318	20	30		CCEDRM
C=C[C@@H](O)C(=O)N[C@H](C(=O)[O-])c1ccc2c(c1)CCO2	ZINC000909795011	613452546	/nfs/dbraw/zinc/45/25/46/613452546.db2.gz	SSSWOGAFKHFYHT-PWSUYJOCSA-N	-1	0	277.276	0.410	20	30		CCEDRM
C=C[C@@H](O)C(=O)N[C@]1(C(=O)[O-])CCc2ccccc21	ZINC000908979561	613453030	/nfs/dbraw/zinc/45/30/30/613453030.db2.gz	TVDUQVANWNVTBR-BXUZGUMPSA-N	-1	0	261.277	0.576	20	30		CCEDRM
C=C[C@@H](O)C(=O)N[C@](C)(Cc1ccc(F)cc1)C(=O)[O-]	ZINC000910512903	613453047	/nfs/dbraw/zinc/45/30/47/613453047.db2.gz	OMPNOLGKKOIHIK-BXUZGUMPSA-N	-1	0	281.283	0.875	20	30		CCEDRM
C=CCC(CC=C)C(=O)N1CCNC(=O)[C@H]1CC(=O)[O-]	ZINC000825660155	613453566	/nfs/dbraw/zinc/45/35/66/613453566.db2.gz	XHLLEFGTNGNHAD-LLVKDONJSA-N	-1	0	280.324	0.557	20	30		CCEDRM
C=C[C@@H](OC(=O)C(C)(C)[N-]C(=O)C(F)(F)F)C(=O)OC	ZINC000870532330	613454765	/nfs/dbraw/zinc/45/47/65/613454765.db2.gz	STYKCJBEMWHDIN-ZCFIWIBFSA-N	-1	0	297.229	0.714	20	30		CCEDRM
C=CCC(F)(F)C(=O)[N-]S(=O)(=O)C[C@H]1CCCO1	ZINC000816011202	613454909	/nfs/dbraw/zinc/45/49/09/613454909.db2.gz	IUZXVZXWPVBABK-MRVPVSSYSA-N	-1	0	283.296	0.823	20	30		CCEDRM
C=CCC1(S(=O)(=O)[N-]C(=O)C2(OC)CC2)CC1	ZINC000842799309	613460783	/nfs/dbraw/zinc/46/07/83/613460783.db2.gz	LIZRRTFYGNGDEZ-UHFFFAOYSA-N	-1	0	259.327	0.720	20	30		CCEDRM
C=CCC1(S(=O)(=O)[N-]C(=O)[C@@H]2CCCOC2)CC1	ZINC000810987687	613461381	/nfs/dbraw/zinc/46/13/81/613461381.db2.gz	VTFQEWBXAYAVNY-SNVBAGLBSA-N	-1	0	273.354	0.968	20	30		CCEDRM
C=CCC1(S(=O)(=O)[N-]C(=O)c2cn(CCC)nn2)CC1	ZINC000810987246	613461420	/nfs/dbraw/zinc/46/14/20/613461420.db2.gz	DHICRWZEHCXTLC-UHFFFAOYSA-N	-1	0	298.368	0.856	20	30		CCEDRM
C=CCCC(=O)N1CC[C@@H](C(=O)[O-])C[C@@H]1C(=O)OC	ZINC000833373386	613462427	/nfs/dbraw/zinc/46/24/27/613462427.db2.gz	NCMNGFCXSCSMJS-NXEZZACHSA-N	-1	0	269.297	0.817	20	30		CCEDRM
C=CCCC(=O)N1CCN(C)C[C@@H]1CNC(=O)[O-]	ZINC000823490454	613462604	/nfs/dbraw/zinc/46/26/04/613462604.db2.gz	CKEKOSWBMKAISF-JTQLQIEISA-N	-1	0	255.318	0.363	20	30		CCEDRM
C=CCCC(=O)[N-]S(=O)(=O)[C@@H]1COC(C)(C)C1	ZINC000861142450	613463094	/nfs/dbraw/zinc/46/30/94/613463094.db2.gz	ZFMLXJBGJIHTPH-VIFPVBQESA-N	-1	0	261.343	0.966	20	30		CCEDRM
C=CCCCC(=O)N1CCNC(=O)[C@@H]1CC(=O)[O-]	ZINC000825671338	613464477	/nfs/dbraw/zinc/46/44/77/613464477.db2.gz	MYTBJMZURIDCTN-VIFPVBQESA-N	-1	0	254.286	0.144	20	30		CCEDRM
C=CCCCCCNC(=O)N1C[C@H](O)C[C@@H]1C(=O)[O-]	ZINC000908711300	613465741	/nfs/dbraw/zinc/46/57/41/613465741.db2.gz	UOGHWKBIBKGBEF-GHMZBOCLSA-N	-1	0	270.329	0.962	20	30		CCEDRM
C=CCCCNC(=O)C(=O)NC[C@@H](CC)C(=O)[O-]	ZINC000927940932	613467772	/nfs/dbraw/zinc/46/77/72/613467772.db2.gz	APRRMLOPRCJDMJ-SECBINFHSA-N	-1	0	256.302	0.296	20	30		CCEDRM
C=C[C@@H]1OCC[C@H]1CNC(=O)C(=O)[N-]OCCSC	ZINC000824986670	613468371	/nfs/dbraw/zinc/46/83/71/613468371.db2.gz	FEQRLRNYCFYGNW-UWVGGRQHSA-N	-1	0	288.369	0.105	20	30		CCEDRM
C=CCCCS(=O)(=O)N1CC[C@@](F)(C(=O)[O-])C1	ZINC000829905129	613468753	/nfs/dbraw/zinc/46/87/53/613468753.db2.gz	OJPFYDHMNLIFQT-JTQLQIEISA-N	-1	0	265.306	0.781	20	30		CCEDRM
C=CCCCS(=O)(=O)N[C@H](C[C@@H]1CCCO1)C(=O)[O-]	ZINC000903030641	613469628	/nfs/dbraw/zinc/46/96/28/613469628.db2.gz	SLGKGIHCBYMTBE-WDEREUQCSA-N	-1	0	291.369	0.894	20	30		CCEDRM
C=CCCCS(=O)(=O)N[C@@H]1CCO[C@@](C)(C(=O)[O-])C1	ZINC000906007519	613469686	/nfs/dbraw/zinc/46/96/86/613469686.db2.gz	AIPNWOVVKPWRQD-ZYHUDNBSSA-N	-1	0	291.369	0.894	20	30		CCEDRM
C=CCCC[C@@H](NC(=O)C1(N2CCOCC2)CC1)C(=O)[O-]	ZINC000910927452	613470078	/nfs/dbraw/zinc/47/00/78/613470078.db2.gz	YTDDAAKEOVVLLW-GFCCVEGCSA-N	-1	0	296.367	0.777	20	30		CCEDRM
C=CCCC[C@@H](NC(=O)[C@](C)(O)COC)C(=O)[O-]	ZINC000910917651	613471528	/nfs/dbraw/zinc/47/15/28/613471528.db2.gz	SWCTWIHKBRBNAJ-BXKDBHETSA-N	-1	0	259.302	0.310	20	30		CCEDRM
C=CCCC[C@H](NC(=O)N[C@@H]1CCOC1)C(=O)[O-]	ZINC000905527962	613473173	/nfs/dbraw/zinc/47/31/73/613473173.db2.gz	AWWUDDVNKAJIQV-ZJUUUORDSA-N	-1	0	256.302	0.884	20	30		CCEDRM
C=CCCC[C@H](NC(=O)c1cnn(CC)n1)C(=O)[O-]	ZINC000910924849	613474936	/nfs/dbraw/zinc/47/49/36/613474936.db2.gz	FJVWUILXLBTTSE-VIFPVBQESA-N	-1	0	266.301	0.837	20	30		CCEDRM
C=C[C@@](C)(O)C(=O)N1C[C@@H](CC)[C@](F)(C(=O)[O-])C1	ZINC000910551189	613477938	/nfs/dbraw/zinc/47/79/38/613477938.db2.gz	UPDFHYFNPNBAGS-FXAINCCUSA-N	-1	0	259.277	0.585	20	30		CCEDRM
C=C[C@H](C)NS(=O)(=O)c1cccc(F)c1-c1nn[nH]n1	ZINC000823882671	613483314	/nfs/dbraw/zinc/48/33/14/613483314.db2.gz	BLJMWRAMTYLHQA-ZETCQYMHSA-N	-1	0	297.315	0.859	20	30		CCEDRM
C=C[C@H](C)O[N-]C(=O)C(=O)Nc1cnn(CC)c1C	ZINC000873934179	613483730	/nfs/dbraw/zinc/48/37/30/613483730.db2.gz	HXCMYDRBJBCCBK-QMMMGPOBSA-N	-1	0	266.301	0.772	20	30		CCEDRM
C=C[C@H](C)O[N-]C(=O)[C@@H]1CC[C@H](CN2CCOCC2)O1	ZINC000824033189	613488278	/nfs/dbraw/zinc/48/82/78/613488278.db2.gz	DZHQAUBUFSIHOB-XQQFMLRXSA-N	-1	0	284.356	0.489	20	30		CCEDRM
C=C[C@H](C)O[N-]C(=O)[C@@](C)(O)Cn1ccccc1=O	ZINC000846555972	613488356	/nfs/dbraw/zinc/48/83/56/613488356.db2.gz	WEFGXOZZBQBWOX-GWCFXTLKSA-N	-1	0	266.297	0.222	20	30		CCEDRM
C=C[C@H](C)O[N-]C(=O)[C@H]1Nc2ccccc2S(=O)(=O)N1	ZINC000846549718	613488641	/nfs/dbraw/zinc/48/86/41/613488641.db2.gz	JWRLVUDVJLOXTK-KWQFWETISA-N	-1	0	297.336	0.339	20	30		CCEDRM
C=C[C@H](CC)CC(=O)N1CCC(O)(c2nnn[n-]2)CC1	ZINC000935785495	613489202	/nfs/dbraw/zinc/48/92/02/613489202.db2.gz	SLAYDCWFVLVLTO-SNVBAGLBSA-N	-1	0	279.344	0.612	20	30		CCEDRM
C=C[C@H](O)C(=O)N1CCOc2ccccc2[C@@H]1C(=O)[O-]	ZINC000911058139	613494307	/nfs/dbraw/zinc/49/43/07/613494307.db2.gz	UJJBGLCACTYICR-CMPLNLGQSA-N	-1	0	277.276	0.580	20	30		CCEDRM
C=C[C@H](O)C(=O)N1CCOc2cc(C(=O)[O-])ccc2C1	ZINC000908149484	613494539	/nfs/dbraw/zinc/49/45/39/613494539.db2.gz	VJDGNRMFMPNRAO-NSHDSACASA-N	-1	0	277.276	0.653	20	30		CCEDRM
C=C[C@H](O)C(=O)N[C@]1(C(=O)[O-])CCc2ccccc21	ZINC000908979564	613497831	/nfs/dbraw/zinc/49/78/31/613497831.db2.gz	TVDUQVANWNVTBR-SMDDNHRTSA-N	-1	0	261.277	0.576	20	30		CCEDRM
C=C[C@](C)(CCOC)C(=O)N1CC[C@@](OC)(C(=O)[O-])C1	ZINC000910216187	613505611	/nfs/dbraw/zinc/50/56/11/613505611.db2.gz	DDLIMDICRPOXIZ-KGLIPLIRSA-N	-1	0	285.340	0.917	20	30		CCEDRM
CC#CCN(C)C(=O)[C@@H]1CC[C@H](CCC(=O)[O-])O1	ZINC000911703314	613524449	/nfs/dbraw/zinc/52/44/49/613524449.db2.gz	NFNQLMXVCHJZDH-MNOVXSKESA-N	-1	0	253.298	0.881	20	30		CCEDRM
C=CCCOCCCCC(=O)Nn1c(=O)[n-][nH]c1=O	ZINC000854613065	613573932	/nfs/dbraw/zinc/57/39/32/613573932.db2.gz	NPGBLJXXVVQUTO-UHFFFAOYSA-N	-1	0	270.289	0.522	20	30		CCEDRM
C=CCCO[N-]C(=O)CN1C(=O)NC2(CCCCC2)C1=O	ZINC000856029379	613576768	/nfs/dbraw/zinc/57/67/68/613576768.db2.gz	LDMSVWKMQUGFMK-UHFFFAOYSA-N	-1	0	295.339	0.865	20	30		CCEDRM
C=CCCS(=O)(=O)NCCN(C(=O)[O-])C1CC1	ZINC000823500753	613581108	/nfs/dbraw/zinc/58/11/08/613581108.db2.gz	KUDBXRKVMCYOGM-UHFFFAOYSA-N	-1	0	262.331	0.624	20	30		CCEDRM
C=CCCS(=O)(=O)N1CC[C@H](OC)C[C@H]1C(=O)[O-]	ZINC000833375058	613581180	/nfs/dbraw/zinc/58/11/80/613581180.db2.gz	UQWZCDDWARXTFZ-UWVGGRQHSA-N	-1	0	277.342	0.456	20	30		CCEDRM
C=CCC[C@@H](NC(=O)[C@H](O)c1cccnc1)C(=O)[O-]	ZINC000909718143	613584825	/nfs/dbraw/zinc/58/48/25/613584825.db2.gz	MYOOLEWSWQPAAV-GHMZBOCLSA-N	-1	0	264.281	0.651	20	30		CCEDRM
C=CCCn1cc(C(=O)[N-]S(=O)(=O)C2(C=C)CC2)nn1	ZINC000870837368	613595078	/nfs/dbraw/zinc/59/50/78/613595078.db2.gz	JHEULRPXDASBGJ-UHFFFAOYSA-N	-1	0	296.352	0.632	20	30		CCEDRM
C=CCCn1cc(C(=O)N[C@@H](CSC)C(=O)[O-])nn1	ZINC000910871907	613595458	/nfs/dbraw/zinc/59/54/58/613595458.db2.gz	NPLOOXXFGPMJFL-VIFPVBQESA-N	-1	0	284.341	0.400	20	30		CCEDRM
C=CCCn1cc(C(=O)OCc2n[nH]c(=O)[n-]2)nn1	ZINC000820970789	613597296	/nfs/dbraw/zinc/59/72/96/613597296.db2.gz	ICOISTUPPLKZRU-UHFFFAOYSA-N	-1	0	264.245	0.035	20	30		CCEDRM
C=CCN(C(=O)C(=O)N1CC[C@H](C(=O)[O-])[C@H](C)C1)C(C)C	ZINC000863748237	613601965	/nfs/dbraw/zinc/60/19/65/613601965.db2.gz	NONWFVNHANJCDW-NEPJUHHUSA-N	-1	0	296.367	0.979	20	30		CCEDRM
C=CCN(C(=O)C(=O)N1CC[C@H](C(=O)[O-])C1)C(C)C	ZINC000817894292	613602137	/nfs/dbraw/zinc/60/21/37/613602137.db2.gz	LIPYMUZEFKHYMZ-JTQLQIEISA-N	-1	0	268.313	0.343	20	30		CCEDRM
C=CCN(CC(=O)[O-])C(=O)NC[C@H](OC)[C@H]1CCOC1	ZINC000849237049	613642769	/nfs/dbraw/zinc/64/27/69/613642769.db2.gz	PQYCFKQMSADULN-QWRGUYRKSA-N	-1	0	286.328	0.320	20	30		CCEDRM
C=CCN(CC(=O)[O-])C(=O)[C@@H](C)Cc1c[nH]cn1	ZINC000864135472	613643144	/nfs/dbraw/zinc/64/31/44/613643144.db2.gz	NCPREEGLSOWWSI-VIFPVBQESA-N	-1	0	251.286	0.688	20	30		CCEDRM
C=CCN(CC(=O)[O-])C(=O)[C@@H](C)Cc1cnn(C)c1	ZINC000909515531	613643333	/nfs/dbraw/zinc/64/33/33/613643333.db2.gz	WYMXJFKBPNQQHS-JTQLQIEISA-N	-1	0	265.313	0.698	20	30		CCEDRM
C=CCN(CC(=O)[O-])C(=O)c1cc(OC)ns1	ZINC000909515881	613643700	/nfs/dbraw/zinc/64/37/00/613643700.db2.gz	HSQOIKBFODMMIE-UHFFFAOYSA-N	-1	0	256.283	0.865	20	30		CCEDRM
C=CCN(CC(=O)[O-])C(=O)c1cn(C2CCOCC2)nn1	ZINC000909517060	613643875	/nfs/dbraw/zinc/64/38/75/613643875.db2.gz	YYTFKNIOWBKXBM-UHFFFAOYSA-N	-1	0	294.311	0.342	20	30		CCEDRM
CC#CCNc1ncc([N+](=O)[O-])cc1-c1nn[nH]n1	ZINC000823942313	613645147	/nfs/dbraw/zinc/64/51/47/613645147.db2.gz	AYUHTYJMPXFMSI-UHFFFAOYSA-N	-1	0	259.229	0.605	20	30		CCEDRM
CC#CCS(=O)(=O)[N-]C(=O)CCC(C)(F)F	ZINC000810775059	613645800	/nfs/dbraw/zinc/64/58/00/613645800.db2.gz	SVBCKHFJROGTFV-UHFFFAOYSA-N	-1	0	253.270	0.891	20	30		CCEDRM
CC#CCS(=O)(=O)[N-]C(=O)COCC1CCCC1	ZINC000835372376	613645924	/nfs/dbraw/zinc/64/59/24/613645924.db2.gz	SMENBSKYGMCCOU-UHFFFAOYSA-N	-1	0	273.354	0.663	20	30		CCEDRM
CC#CCS(=O)(=O)[N-]C(=O)C[C@H](C)[C@@H]1CCCO1	ZINC000851000749	613646201	/nfs/dbraw/zinc/64/62/01/613646201.db2.gz	YYXDKCHGLAYRBO-QWRGUYRKSA-N	-1	0	273.354	0.661	20	30		CCEDRM
C=CCN(CC=C)C(=O)CN(CC#N)CC(=O)[O-]	ZINC000825681911	613646646	/nfs/dbraw/zinc/64/66/46/613646646.db2.gz	MEVWOWBGVDMYBC-UHFFFAOYSA-N	-1	0	251.286	0.097	20	30		CCEDRM
CC#CCS(=O)(=O)[N-]C(=O)[C@@H]1CCC[C@H]2C[C@H]21	ZINC000850999824	613646787	/nfs/dbraw/zinc/64/67/87/613646787.db2.gz	KVWJMTNAZIBFNP-HBNTYKKESA-N	-1	0	255.339	0.892	20	30		CCEDRM
CC(=NNCC(=O)[O-])c1cccc(-n2ccnn2)c1	ZINC000814960223	613654563	/nfs/dbraw/zinc/65/45/63/613654563.db2.gz	NCKNIUHGULWAFP-UHFFFAOYSA-N	-1	0	259.269	0.666	20	30		CCEDRM
Cc1cc(N=NC(C)c2cn(CC(=O)[O-])nn2)ncn1	ZINC000825804770	613657163	/nfs/dbraw/zinc/65/71/63/613657163.db2.gz	WIGBSUOEMBQIIB-UHFFFAOYSA-N	-1	0	275.272	0.297	20	30		CCEDRM
C=CC[N@H+]1CCC[C@H]([N-]C(=O)C(F)(F)F)[C@@H]1C(=O)[O-]	ZINC000852734389	613705812	/nfs/dbraw/zinc/70/58/12/613705812.db2.gz	APBRVEJIJNWDFT-JGVFFNPUSA-N	-1	0	280.246	0.769	20	30		CCEDRM
C=CCNC(=O)C(=O)Nc1cc(C(=O)[O-])cs1	ZINC000825687244	613844908	/nfs/dbraw/zinc/84/49/08/613844908.db2.gz	GSPNCKXRGXIAPK-UHFFFAOYSA-N	-1	0	254.267	0.687	20	30		CCEDRM
C=CCNC(=O)C(C#N)=C([O-])c1cc(C(C)=O)cn1C	ZINC000916916814	613852893	/nfs/dbraw/zinc/85/28/93/613852893.db2.gz	CHRDTMCLQDBMOH-NSHDSACASA-N	-1	0	273.292	0.852	20	30		CCEDRM
C=CCNC(=O)[C@@H](C)N1CC[C@@H](N(C)C(=O)[O-])C1	ZINC000823507354	613853370	/nfs/dbraw/zinc/85/33/70/613853370.db2.gz	WCQUICGIEAIWPS-NXEZZACHSA-N	-1	0	255.318	0.361	20	30		CCEDRM
C=CCNC(=O)[C@@H](C)OC(=O)[C@]1(C)CCN(C(=O)[O-])C1	ZINC000823506328	613854150	/nfs/dbraw/zinc/85/41/50/613854150.db2.gz	GNGNSNZUZBRZQP-NOZJJQNGSA-N	-1	0	284.312	0.610	20	30		CCEDRM
C=CCNC(=O)[C@@H](C)OC(=O)c1cc(C(=O)[O-])no1	ZINC000833377522	613854187	/nfs/dbraw/zinc/85/41/87/613854187.db2.gz	ZYPYJHSUVYFUED-ZCFIWIBFSA-N	-1	0	268.225	0.220	20	30		CCEDRM
C=CCNC(=O)C(C#N)=C([O-])c1ccnn1CCC	ZINC000850761044	613854937	/nfs/dbraw/zinc/85/49/37/613854937.db2.gz	ZNKMJPLKYKXRPK-SNVBAGLBSA-N	-1	0	260.297	0.918	20	30		CCEDRM
C=CCNC(=O)[C@H](C)OC(=O)[C@@H](NC(=O)[O-])C(C)C	ZINC000823506663	613855695	/nfs/dbraw/zinc/85/56/95/613855695.db2.gz	JTKOSIBNFKQPIY-IUCAKERBSA-N	-1	0	272.301	0.513	20	30		CCEDRM
C=CCOCC(=O)N[C@H](C(=O)[O-])[C@@H]1CCC[C@H](OC)C1	ZINC000909907789	613879548	/nfs/dbraw/zinc/87/95/48/613879548.db2.gz	PLUTZGDJOQNMQY-MDZLAQPJSA-N	-1	0	285.340	0.964	20	30		CCEDRM
C=CCOCCCC(=O)N1CCC[C@H]1C(=O)NCC(=O)[O-]	ZINC000910760277	613879639	/nfs/dbraw/zinc/87/96/39/613879639.db2.gz	FHFDVQHVRPHTRS-NSHDSACASA-N	-1	0	298.339	0.161	20	30		CCEDRM
C=CCOC[C@@H](NC(=O)C1(C(F)F)CC1)C(=O)[O-]	ZINC000844155019	613881514	/nfs/dbraw/zinc/88/15/14/613881514.db2.gz	FCUOXBXQVSQGIP-SSDOTTSWSA-N	-1	0	263.240	0.804	20	30		CCEDRM
C=CCOC[C@@H](NC(=O)Cn1cc(Cl)cn1)C(=O)[O-]	ZINC000909769733	613881620	/nfs/dbraw/zinc/88/16/20/613881620.db2.gz	BOLAPQUOQNBGSK-SECBINFHSA-N	-1	0	287.703	0.309	20	30		CCEDRM
C=CCOC[C@@H](NC(=O)[C@@H]1OC[C@@H]2CCC[C@@H]21)C(=O)[O-]	ZINC000909767912	613881764	/nfs/dbraw/zinc/88/17/64/613881764.db2.gz	RQGKAVCGFFMOSQ-NNYUYHANSA-N	-1	0	283.324	0.574	20	30		CCEDRM
C=CCOC[C@@H](NC(=O)c1cncc(C)c1)C(=O)[O-]	ZINC000909772258	613881909	/nfs/dbraw/zinc/88/19/09/613881909.db2.gz	WMUWXNUBEJMOIY-LLVKDONJSA-N	-1	0	264.281	0.776	20	30		CCEDRM
C=CCOC[C@H](NC(=O)C1CCC(O)CC1)C(=O)[O-]	ZINC000909772277	613882225	/nfs/dbraw/zinc/88/22/25/613882225.db2.gz	WRBPBONDIUGDAB-ILDUYXDCSA-N	-1	0	271.313	0.310	20	30		CCEDRM
C=CCOC[C@H](NC(=O)C[C@H]1CC(C)(C)CO1)C(=O)[O-]	ZINC000909766319	613882339	/nfs/dbraw/zinc/88/23/39/613882339.db2.gz	GRCNSPLDADUJTD-QWRGUYRKSA-N	-1	0	285.340	0.964	20	30		CCEDRM
C=CCOC[C@H](NC(=O)C[C@](C)(O)C1CC1)C(=O)[O-]	ZINC000909769490	613882386	/nfs/dbraw/zinc/88/23/86/613882386.db2.gz	CSCTUZLPDDLBHB-GWCFXTLKSA-N	-1	0	271.313	0.310	20	30		CCEDRM
C=CCOC[C@H](NC(=O)[C@@H]1CCO[C@H]1C)C(=O)[O-]	ZINC000909772968	613882410	/nfs/dbraw/zinc/88/24/10/613882410.db2.gz	ZCMHPDLAMOJPQF-AEJSXWLSSA-N	-1	0	257.286	0.183	20	30		CCEDRM
C=CCOC[C@H](NC(=O)[C@@H](C)[C@H](O)CC)C(=O)[O-]	ZINC000909770886	613882441	/nfs/dbraw/zinc/88/24/41/613882441.db2.gz	MJFHBESBLSUBIJ-LPEHRKFASA-N	-1	0	259.302	0.165	20	30		CCEDRM
C=CCOC[C@H](NC(=O)N[C@H]1CO[C@@H](C)C1)C(=O)[O-]	ZINC000909038575	613882457	/nfs/dbraw/zinc/88/24/57/613882457.db2.gz	YNAIZIPAPTUZCR-AEJSXWLSSA-N	-1	0	272.301	0.119	20	30		CCEDRM
C=CCOC[C@H](NC(=O)[C@@H]1CCO[C@H]1C1CC1)C(=O)[O-]	ZINC000909765788	613882461	/nfs/dbraw/zinc/88/24/61/613882461.db2.gz	FCCBZHVCTGVGCY-WOPDTQHZSA-N	-1	0	283.324	0.574	20	30		CCEDRM
C=CCOC[C@H](NC(=O)[C@@H]1CCCOCC1)C(=O)[O-]	ZINC000909767782	613882467	/nfs/dbraw/zinc/88/24/67/613882467.db2.gz	QKRJTSKEIHOGBX-MNOVXSKESA-N	-1	0	271.313	0.575	20	30		CCEDRM
C=CCOC[C@H](NC(=O)[C@@H](O)c1ccccc1)C(=O)[O-]	ZINC000909769148	613882494	/nfs/dbraw/zinc/88/24/94/613882494.db2.gz	BDZJNSCJHOMTJJ-RYUDHWBXSA-N	-1	0	279.292	0.492	20	30		CCEDRM
C=CCOC[C@H](NC(=O)c1ncccc1N(C)C)C(=O)[O-]	ZINC000909772808	613882787	/nfs/dbraw/zinc/88/27/87/613882787.db2.gz	VWGNYARDUYBKOT-JTQLQIEISA-N	-1	0	293.323	0.533	20	30		CCEDRM
C=CCO[N-]C(=O)CNC(=O)NCc1ccco1	ZINC000837045102	613883097	/nfs/dbraw/zinc/88/30/97/613883097.db2.gz	XFCGCDOUOLCRNK-UHFFFAOYSA-N	-1	0	253.258	0.313	20	30		CCEDRM
C=CCO[N-]C(=O)CNC(=O)c1cc(OC)cc(OC)c1	ZINC000837044701	613883213	/nfs/dbraw/zinc/88/32/13/613883213.db2.gz	REQFVDBZWFABLH-UHFFFAOYSA-N	-1	0	294.307	0.667	20	30		CCEDRM
C=CCO[N-]C(=O)COCc1ccc(OC)nc1	ZINC000861924939	613883215	/nfs/dbraw/zinc/88/32/15/613883215.db2.gz	YODZXSWFZQZACA-UHFFFAOYSA-N	-1	0	252.270	0.841	20	30		CCEDRM
C=CCOc1ccccc1C(=O)Nn1c(=O)[n-][nH]c1=O	ZINC000816733141	613884788	/nfs/dbraw/zinc/88/47/88/613884788.db2.gz	KWINUOGLLQXOSX-UHFFFAOYSA-N	-1	0	276.252	0.638	20	30		CCEDRM
C=CCS(=O)(=O)[N-]C(=O)c1ccn(CC(C)C)n1	ZINC000892881975	613886297	/nfs/dbraw/zinc/88/62/97/613886297.db2.gz	CAHWFKAHEZRATQ-UHFFFAOYSA-N	-1	0	271.342	0.785	20	30		CCEDRM
CC(C)NC(=O)C(C#N)=C([O-])c1nnc2ccccc2n1	ZINC000810533897	613930773	/nfs/dbraw/zinc/93/07/73/613930773.db2.gz	YXQFZVALCUVZAL-VIFPVBQESA-N	-1	0	283.291	0.872	20	30		CCEDRM
CC(C)NC(=O)C(C#N)=C([O-])c1cn(C2CC2)nn1	ZINC000860472185	613934430	/nfs/dbraw/zinc/93/44/30/613934430.db2.gz	DURMQSMPBMKYGJ-SECBINFHSA-N	-1	0	261.285	0.460	20	30		CCEDRM
CC(C)OC(=O)CCNC(=O)[C@@](C)(C#N)CC(=O)[O-]	ZINC000820029511	613988629	/nfs/dbraw/zinc/98/86/29/613988629.db2.gz	DCZOPSVQSZCWPY-GFCCVEGCSA-N	-1	0	270.285	0.449	20	30		CCEDRM
CC(C)OC[C@H](C(=O)[O-])N(C)C(=O)c1ccc(C#N)nc1	ZINC000827006807	614032648	/nfs/dbraw/zinc/03/26/48/614032648.db2.gz	PMZULFYPARRGGW-GFCCVEGCSA-N	-1	0	291.307	0.903	20	30		CCEDRM
CC(C)[C@@H](C#N)N1CCN(C(=O)[C@@H](C)CC(=O)[O-])CC1	ZINC000827264196	614071658	/nfs/dbraw/zinc/07/16/58/614071658.db2.gz	XJAWVEILGVXJRX-NWDGAFQWSA-N	-1	0	281.356	0.790	20	30		CCEDRM
CC(C)[C@@H](NC(=O)[C@@H](O)c1ccc(C#N)cc1)C(=O)[O-]	ZINC000820036829	614125736	/nfs/dbraw/zinc/12/57/36/614125736.db2.gz	ZTKZFLIQFXJBJP-NEPJUHHUSA-N	-1	0	276.292	0.817	20	30		CCEDRM
CC(C)[C@@](C)(C#N)NC(=O)[C@@H](C)[N@@H+]1CC[C@H](C(=O)[O-])C1	ZINC000817733688	614180803	/nfs/dbraw/zinc/18/08/03/614180803.db2.gz	SKYKCFROSVLFHI-UHIISALHSA-N	-1	0	281.356	0.836	20	30		CCEDRM
CC(C)[C@H](C#N)N1CCN(C(=O)C2(NC(=O)[O-])CC2)CC1	ZINC000824054933	614186827	/nfs/dbraw/zinc/18/68/27/614186827.db2.gz	DWQUAGGFIYKXDJ-NSHDSACASA-N	-1	0	294.355	0.479	20	30		CCEDRM
CC(C)[C@H](C#N)NC(=O)C[C@@H]1CN(C(=O)[O-])CCO1	ZINC000824055320	614187341	/nfs/dbraw/zinc/18/73/41/614187341.db2.gz	GDGGXSMAXIVMLM-ZJUUUORDSA-N	-1	0	269.301	0.420	20	30		CCEDRM
CC(C)(O)CNN=Cc1cc([O-])ccc1[N+](=O)[O-]	ZINC000863137669	614194201	/nfs/dbraw/zinc/19/42/01/614194201.db2.gz	HPGHCOMVANKXCN-UHFFFAOYSA-N	-1	0	253.258	0.995	20	30		CCEDRM
CC(C)[C@H](NS(=O)(=O)CC(C)(C)CC#N)C(=O)[O-]	ZINC000841774253	614250388	/nfs/dbraw/zinc/25/03/88/614250388.db2.gz	FRONFIMUXFJJED-VIFPVBQESA-N	-1	0	276.358	0.955	20	30		CCEDRM
CC(C)[C@H]1CN(C(=O)[C@@](C)(C#N)CC(=O)[O-])CCO1	ZINC000819962070	614270067	/nfs/dbraw/zinc/27/00/67/614270067.db2.gz	JHHQTNGKEGTSCR-ZWNOBZJWSA-N	-1	0	268.313	0.874	20	30		CCEDRM
CC(C)n1nccc1C(=O)N1CCN(C(=O)[O-])C[C@@H]1C#N	ZINC000824535158	614371553	/nfs/dbraw/zinc/37/15/53/614371553.db2.gz	VOEIWFXKQXATAE-JTQLQIEISA-N	-1	0	291.311	0.792	20	30		CCEDRM
CC1CCN(C(=O)CN2CCN(C(=O)[O-])C[C@@H]2C#N)CC1	ZINC000825937320	614429322	/nfs/dbraw/zinc/42/93/22/614429322.db2.gz	ISHGCXGXJGSOBY-LBPRGKRZSA-N	-1	0	294.355	0.433	20	30		CCEDRM
CC1(C(=O)[N-]S(=O)(=O)CC2(C#N)CC2)CCOCC1	ZINC000793203936	614465785	/nfs/dbraw/zinc/46/57/85/614465785.db2.gz	DIJOICNZDIWSRY-UHFFFAOYSA-N	-1	0	286.353	0.553	20	30		CCEDRM
CCCc1cc(C(=O)[N-]S(=O)(=O)CCC#N)[nH]n1	ZINC000835412803	614471022	/nfs/dbraw/zinc/47/10/22/614471022.db2.gz	XQXGTJINKQHMRG-UHFFFAOYSA-N	-1	0	270.314	0.335	20	30		CCEDRM
CCC(CC)[C@@H](O)CNC(=O)[C@@](C)(C#N)CC(=O)[O-]	ZINC000820272891	614577560	/nfs/dbraw/zinc/57/75/60/614577560.db2.gz	NHQUKZSBTPTOQE-GXFFZTMASA-N	-1	0	270.329	0.904	20	30		CCEDRM
CCC1(S(=O)(=O)[N-]C(=O)c2ccc(C#N)n2C)CC1	ZINC000835534943	614711269	/nfs/dbraw/zinc/71/12/69/614711269.db2.gz	CCBQYQWHYLLRFK-UHFFFAOYSA-N	-1	0	281.337	0.899	20	30		CCEDRM
C[C@](C#N)(CC(=O)[O-])C(=O)NC[C@@H]1COC(C)(C)O1	ZINC000820212040	614825018	/nfs/dbraw/zinc/82/50/18/614825018.db2.gz	WIKIXOADFCNCQS-PRHODGIISA-N	-1	0	270.285	0.259	20	30		CCEDRM
CCN(C(C)=O)c1nc(C=NNCCC(=O)[O-])cs1	ZINC000820333234	614829047	/nfs/dbraw/zinc/82/90/47/614829047.db2.gz	YGJGILGRFKICCK-UHFFFAOYSA-N	-1	0	284.341	0.914	20	30		CCEDRM
CCCO[N-]C(=O)C(=O)Nc1ccc(C#N)cc1OC	ZINC000834356459	614943076	/nfs/dbraw/zinc/94/30/76/614943076.db2.gz	BEUGKQVWQBOCKS-UHFFFAOYSA-N	-1	0	277.280	0.963	20	30		CCEDRM
CCN(CC(=O)N[C@](C)(C#N)C(C)C)C1CN(C(=O)[O-])C1	ZINC000827002495	614943300	/nfs/dbraw/zinc/94/33/00/614943300.db2.gz	NEHXZWZDTRPKRN-CQSZACIVSA-N	-1	0	296.371	0.725	20	30		CCEDRM
CCN(CC(=O)[O-])C(=O)C1(C#N)CCSCC1	ZINC000907575557	614943871	/nfs/dbraw/zinc/94/38/71/614943871.db2.gz	TVSCFEDJMBZJDV-UHFFFAOYSA-N	-1	0	256.327	0.956	20	30		CCEDRM
CCN(CC(C)(C)O)C(=O)[C@](C)(C#N)CC(=O)[O-]	ZINC000820333268	614951606	/nfs/dbraw/zinc/95/16/06/614951606.db2.gz	ZVYDCTQDROQEGJ-LBPRGKRZSA-N	-1	0	256.302	0.610	20	30		CCEDRM
CCCS(=O)(=O)[N-]C(=O)c1ncc(C#N)cc1C	ZINC000815956797	614967319	/nfs/dbraw/zinc/96/73/19/614967319.db2.gz	PAYSANLDZPQFDB-UHFFFAOYSA-N	-1	0	267.310	0.731	20	30		CCEDRM
CC1=CC(=O)C(=C([O-])C=Cc2cn(C)cn2)C(=O)O1	ZINC000800792686	614968741	/nfs/dbraw/zinc/96/87/41/614968741.db2.gz	WCVSCZZQOIHNQK-MVZIDQBPSA-N	-1	0	260.249	0.648	20	30		CCEDRM
CCN(CC)C(=O)COC(=O)[C@@](C)(C#N)CC(=O)[O-]	ZINC000820338582	614980390	/nfs/dbraw/zinc/98/03/90/614980390.db2.gz	CMMKTHPVYHCKKB-GFCCVEGCSA-N	-1	0	270.285	0.403	20	30		CCEDRM
CCC[C@@H](OC)C(=O)[N-]S(=O)(=O)c1cncc(C#N)c1	ZINC000835464441	615007174	/nfs/dbraw/zinc/00/71/74/615007174.db2.gz	QYTDUZPVHJPBIG-LLVKDONJSA-N	-1	0	297.336	0.573	20	30		CCEDRM
CC1CC(C#N)(C(=O)N2CCO[C@H](CC(=O)[O-])C2)C1	ZINC000828148819	615011163	/nfs/dbraw/zinc/01/11/63/615011163.db2.gz	DTZHOBJCMZYRNL-RUETXSTFSA-N	-1	0	266.297	0.628	20	30		CCEDRM
CCN(CCC#N)C(=O)CO[C@H]1CCCN(C(=O)[O-])C1	ZINC000827110880	615022845	/nfs/dbraw/zinc/02/28/45/615022845.db2.gz	HUDLGRFVLSLNRH-NSHDSACASA-N	-1	0	283.328	0.908	20	30		CCEDRM
CCC[C@H](NC(=O)[O-])C(=O)N[C@@](C)(C#N)COC	ZINC000826751141	615044704	/nfs/dbraw/zinc/04/47/04/615044704.db2.gz	MPBWVFRFVMAYLK-KWQFWETISA-N	-1	0	257.290	0.468	20	30		CCEDRM
CCN(CCNC(=O)c1cc(C#N)cn1C)C(=O)[O-]	ZINC000827146586	615051240	/nfs/dbraw/zinc/05/12/40/615051240.db2.gz	RJBHXCMJOWJDTR-UHFFFAOYSA-N	-1	0	264.285	0.626	20	30		CCEDRM
CCOC(=O)N1CCN(C(=O)[C@](C)(C#N)CC(=O)[O-])CC1	ZINC000820368970	615230114	/nfs/dbraw/zinc/23/01/14/615230114.db2.gz	AVXQQBYTOYXXLD-ZDUSSCGKSA-N	-1	0	297.311	0.292	20	30		CCEDRM
CC[C@@H](C#N)C(=O)N[C@@H](c1nnn[n-]1)c1ccccc1	ZINC000846632216	615366006	/nfs/dbraw/zinc/36/60/06/615366006.db2.gz	KHQNZIIJQDGQEA-GXSJLCMTSA-N	-1	0	270.296	0.955	20	30		CCEDRM
CC[C@@H](C#N)NS(=O)(=O)c1c[nH]c(C(=O)[O-])c1	ZINC000833636138	615366553	/nfs/dbraw/zinc/36/65/53/615366553.db2.gz	JFLUQEULQDJQMH-LURJTMIESA-N	-1	0	257.271	0.293	20	30		CCEDRM
CCO[C@@H](C(=O)[N-]S(=O)(=O)CC1(C#N)CC1)C1CC1	ZINC000860649927	615393014	/nfs/dbraw/zinc/39/30/14/615393014.db2.gz	RLRWXWFFLSLUCP-SNVBAGLBSA-N	-1	0	286.353	0.551	20	30		CCEDRM
CCO[C@H](C)C(=O)N1CCN(C(=O)[O-])C[C@@H]1C#N	ZINC000827362028	615476764	/nfs/dbraw/zinc/47/67/64/615476764.db2.gz	MDNXOVGIODLRLC-BDAKNGLRSA-N	-1	0	255.274	0.126	20	30		CCEDRM
CC[C@H](C)C(=O)[N-]S(=O)(=O)c1cncc(C#N)c1	ZINC000813982868	615645919	/nfs/dbraw/zinc/64/59/19/615645919.db2.gz	WMDATKHOBATLKQ-QMMMGPOBSA-N	-1	0	267.310	0.804	20	30		CCEDRM
CCc1nc(NC(=O)CN(CC#N)CC(=O)[O-])sc1C	ZINC000830318949	615750147	/nfs/dbraw/zinc/75/01/47/615750147.db2.gz	XBBFYEXXCKUTHA-UHFFFAOYSA-N	-1	0	296.352	0.863	20	30		CCEDRM
CCc1ncc(C([O-])=C(C#N)C(=O)NCCOC)s1	ZINC000920838864	615772231	/nfs/dbraw/zinc/77/22/31/615772231.db2.gz	UTROAXZWZUSADY-QMMMGPOBSA-N	-1	0	281.337	0.791	20	30		CCEDRM
CCc1noc(C)c1C(=O)N1CCN(C(=O)[O-])C[C@H]1C#N	ZINC000827663259	615830567	/nfs/dbraw/zinc/83/05/67/615830567.db2.gz	LCIWOXCIXAMJOY-SECBINFHSA-N	-1	0	292.295	0.873	20	30		CCEDRM
CN(C)c1cc(C(=O)[N-]S(=O)(=O)CCCC#N)ccn1	ZINC000127480461	616004523	/nfs/dbraw/zinc/00/45/23/616004523.db2.gz	RXSNZYZTPYOEDH-UHFFFAOYSA-N	-1	0	296.352	0.511	20	30		CCEDRM
CCn1ccc(C([O-])=C(C#N)C(=O)NCCOC)c1C	ZINC000873497993	616025136	/nfs/dbraw/zinc/02/51/36/616025136.db2.gz	QUGRTFXMACJPNN-LBPRGKRZSA-N	-1	0	277.324	0.902	20	30		CCEDRM
CN(C)c1nc(COC(=O)[C@@](C)(C#N)CC(=O)[O-])ns1	ZINC000820554277	616034196	/nfs/dbraw/zinc/03/41/96/616034196.db2.gz	KZVBGWGSTTUDNU-LLVKDONJSA-N	-1	0	298.324	0.652	20	30		CCEDRM
CN(CC(=O)[O-])C(=O)CCN(CCC#N)Cc1ccco1	ZINC000830692283	616049452	/nfs/dbraw/zinc/04/94/52/616049452.db2.gz	JVVGXCMLLCENON-UHFFFAOYSA-N	-1	0	293.323	0.928	20	30		CCEDRM
CN(CCCNC(=O)c1cc(C#N)c[nH]1)C(=O)[O-]	ZINC000828301908	616075316	/nfs/dbraw/zinc/07/53/16/616075316.db2.gz	IWUSFCANPSEFLC-UHFFFAOYSA-N	-1	0	250.258	0.616	20	30		CCEDRM
CN(Cc1nc[nH]n1)[C@H](C(=O)[O-])c1ccc(C#N)cc1	ZINC000830883857	616104533	/nfs/dbraw/zinc/10/45/33/616104533.db2.gz	UOWVIYVHTLLKLW-LBPRGKRZSA-N	-1	0	271.280	0.934	20	30		CCEDRM
CN(C[C@@H]1CCCO1)C(=O)[C@](C)(C#N)CC(=O)[O-]	ZINC000820574175	616137987	/nfs/dbraw/zinc/13/79/87/616137987.db2.gz	FDRNQIBRGBSCRT-CABZTGNLSA-N	-1	0	254.286	0.628	20	30		CCEDRM
CN(C[Si](C)(C)C)C(=O)Cn1cc(C#N)c(=O)[n-]c1=O	ZINC000911723054	616164084	/nfs/dbraw/zinc/16/40/84/616164084.db2.gz	SJGGFOHWIHFWKM-UHFFFAOYSA-N	-1	0	294.387	0.156	20	30		CCEDRM
COC/C=C/C(=O)[N-]S(=O)(=O)CC(C)(C)C#N	ZINC000870271563	616399567	/nfs/dbraw/zinc/39/95/67/616399567.db2.gz	XZGWRDFSDDFUMY-SNAWJCMRSA-N	-1	0	260.315	0.185	20	30		CCEDRM
COC/C=C\C(=O)[N-]S(=O)(=O)CC1(C#N)CCC1	ZINC000870297267	616408220	/nfs/dbraw/zinc/40/82/20/616408220.db2.gz	LQNWXZDOLQHMBT-RQOWECAXSA-N	-1	0	272.326	0.329	20	30		CCEDRM
COCCNC(=O)C(C#N)=C([O-])c1cocc1C	ZINC000860469766	616492651	/nfs/dbraw/zinc/49/26/51/616492651.db2.gz	UGQAWDBMEFKEHL-VIFPVBQESA-N	-1	0	250.254	0.673	20	30		CCEDRM
COC(=O)CCCO[N-]C(=O)COc1ccc(C#N)cc1	ZINC000811560876	616537680	/nfs/dbraw/zinc/53/76/80/616537680.db2.gz	IUYSZANZCIDLJB-UHFFFAOYSA-N	-1	0	292.291	0.938	20	30		CCEDRM
COC(=O)[C@@]1(C)CCN(C(=O)[C@@](C)(C#N)CC(=O)[O-])C1	ZINC000820653335	616542417	/nfs/dbraw/zinc/54/24/17/616542417.db2.gz	FFDNSHREDOKKLG-QWHCGFSZSA-N	-1	0	282.296	0.403	20	30		CCEDRM
COC(=O)CN(CC#N)C(=O)CC1(NC(=O)[O-])CCC1	ZINC000828683918	616586828	/nfs/dbraw/zinc/58/68/28/616586828.db2.gz	OKUSYAIKHMUIQO-UHFFFAOYSA-N	-1	0	283.284	0.092	20	30		CCEDRM
COC(=O)COc1c(C)cc(C=NNCC(=O)[O-])cc1C	ZINC000814960219	616617127	/nfs/dbraw/zinc/61/71/27/616617127.db2.gz	NBHBAGYUSLTXQV-UHFFFAOYSA-N	-1	0	294.307	0.863	20	30		CCEDRM
COC[C@H](NC(=O)C1(C#N)CCCCC1)C(=O)[O-]	ZINC000923077841	616689956	/nfs/dbraw/zinc/68/99/56/616689956.db2.gz	ZYNUHAKMAYLPFX-VIFPVBQESA-N	-1	0	254.286	0.676	20	30		CCEDRM
COCC(COC)NN=C1CCC(C(=O)[O-])CC1	ZINC000863192277	616735956	/nfs/dbraw/zinc/73/59/56/616735956.db2.gz	LNSDTULLMYLETK-UHFFFAOYSA-N	-1	0	258.318	0.868	20	30		CCEDRM
CNC(=O)C(C#N)=C([O-])c1ccc(C)c(C(=O)OC)c1	ZINC000870153895	616777040	/nfs/dbraw/zinc/77/70/40/616777040.db2.gz	VWZNEOCSFGHYSP-NSHDSACASA-N	-1	0	274.276	0.850	20	30		CCEDRM
COCC1(S(=O)(=O)[N-]C(=O)c2cccc(C#N)c2)CC1	ZINC000811161189	616801304	/nfs/dbraw/zinc/80/13/04/616801304.db2.gz	RWZGWNRXFCLJAZ-UHFFFAOYSA-N	-1	0	294.332	0.797	20	30		CCEDRM
COC[C@](C)(C#N)NC(=O)c1[nH]c(C)c(C(=O)[O-])c1C	ZINC000831540915	616817431	/nfs/dbraw/zinc/81/74/31/616817431.db2.gz	HTXYHULXDYJUPN-ZDUSSCGKSA-N	-1	0	279.296	0.988	20	30		CCEDRM
CNC(=O)C(C#N)=C([O-])c1cn2c(n1)C[C@H](C)CC2	ZINC000870154385	616839297	/nfs/dbraw/zinc/83/92/97/616839297.db2.gz	KKPXOXSMGNHBFN-RKDXNWHRSA-N	-1	0	260.297	0.534	20	30		CCEDRM
CNC(=O)C(C#N)=C([O-])c1nscc1Br	ZINC000845444709	616839344	/nfs/dbraw/zinc/83/93/44/616839344.db2.gz	DQOIKKFVEGFTIC-SCSAIBSYSA-N	-1	0	288.126	0.974	20	30		CCEDRM
CNC(=O)C(C#N)=C([O-])c1cnn(CC(C)C)c1C	ZINC000155592424	616839505	/nfs/dbraw/zinc/83/95/05/616839505.db2.gz	MUSBQWSFPBAWMP-SNVBAGLBSA-N	-1	0	262.313	0.916	20	30		CCEDRM
CNC(=O)C(C#N)=C([O-])c1cc(C)n(-c2ccn(C)n2)c1C	ZINC000857010116	616839681	/nfs/dbraw/zinc/83/96/81/616839681.db2.gz	DYUUZLAQXBTPOG-GFCCVEGCSA-N	-1	0	299.334	0.896	20	30		CCEDRM
CNC(=O)C(C#N)=C([O-])c1cccc2c1OCCCO2	ZINC000845446232	616839698	/nfs/dbraw/zinc/83/96/98/616839698.db2.gz	YDCDLYIDGLWFKF-SNVBAGLBSA-N	-1	0	274.276	0.916	20	30		CCEDRM
COC[C@@H](CS(=O)(=O)[N-]C(=O)CC(C)(C)C#N)OC	ZINC000853208192	616872495	/nfs/dbraw/zinc/87/24/95/616872495.db2.gz	RBYCKUAYFKIPNT-VIFPVBQESA-N	-1	0	292.357	0.034	20	30		CCEDRM
COC(=O)[C@@H](C)S(=O)(=O)[N-]C(=O)CCCCCC#N	ZINC000805916414	616951514	/nfs/dbraw/zinc/95/15/14/616951514.db2.gz	XVLPZQPIEYSNKS-SECBINFHSA-N	-1	0	290.341	0.468	20	30		CCEDRM
COC(=O)[C@@H](CC(F)F)[N-]S(=O)(=O)CC(C)(C)C#N	ZINC000914306110	616956573	/nfs/dbraw/zinc/95/65/73/616956573.db2.gz	ZTSZFNCVDRFHFQ-SSDOTTSWSA-N	-1	0	298.311	0.652	20	30		CCEDRM
COCCN(CC(=O)N[C@@H]1CCC[C@H]1C#N)C(=O)[O-]	ZINC000828976087	616978939	/nfs/dbraw/zinc/97/89/39/616978939.db2.gz	IBCHIBMUBSWRNA-VHSXEESVSA-N	-1	0	269.301	0.421	20	30		CCEDRM
COCCN(CC(=O)N[C@@H](C#N)C(C)(C)C)C(=O)[O-]	ZINC000828971344	616979232	/nfs/dbraw/zinc/97/92/32/616979232.db2.gz	WGHJGVNMLKJSQP-VIFPVBQESA-N	-1	0	271.317	0.667	20	30		CCEDRM
COCCN(CC(=O)[O-])C(=O)c1ccc(C#N)s1	ZINC000818539474	616983327	/nfs/dbraw/zinc/98/33/27/616983327.db2.gz	PIYAAEMQEJKLIQ-UHFFFAOYSA-N	-1	0	268.294	0.793	20	30		CCEDRM
COC[C@@](C)(C#N)NC(=O)CO[C@H]1CCCN(C(=O)[O-])C1	ZINC000828885887	617010960	/nfs/dbraw/zinc/01/09/60/617010960.db2.gz	PQYFSWWHWKFPEW-GXFFZTMASA-N	-1	0	299.327	0.190	20	30		CCEDRM
COC(=O)c1coc(CN(CC#N)CC(=O)[O-])c1	ZINC000831466956	617011708	/nfs/dbraw/zinc/01/17/08/617011708.db2.gz	NTYGESDGLXIKTB-UHFFFAOYSA-N	-1	0	252.226	0.476	20	30		CCEDRM
COC[C@@](C)(CC(=O)[O-])NC(=O)CSCC#N	ZINC000831554144	617011676	/nfs/dbraw/zinc/01/16/76/617011676.db2.gz	ZVKSKSZTRVFKPQ-SNVBAGLBSA-N	-1	0	260.315	0.239	20	30		CCEDRM
COC[C@@](C)(NC(=O)Cc1ccccc1CC#N)C(=O)[O-]	ZINC000833722082	617020941	/nfs/dbraw/zinc/02/09/41/617020941.db2.gz	ZFEVVKRQKPDNLL-OAHLLOKOSA-N	-1	0	290.319	0.901	20	30		CCEDRM
COC[C@H](C#N)OC(=O)[C@@H](Cc1ccccc1)NC(=O)[O-]	ZINC000833882370	617046902	/nfs/dbraw/zinc/04/69/02/617046902.db2.gz	LZGYWCPPOKXVFF-NWDGAFQWSA-N	-1	0	292.291	0.947	20	30		CCEDRM
CO[N-]C(=O)CNC(=O)Cc1c(C)cc(C#N)cc1C	ZINC000832740757	617110596	/nfs/dbraw/zinc/11/05/96/617110596.db2.gz	FAZZASURPZQPIH-UHFFFAOYSA-N	-1	0	275.308	0.511	20	30		CCEDRM
CO[C@@H](C(=O)[N-]S(=O)(=O)CCC#N)C1CCCCC1	ZINC000851015724	617126750	/nfs/dbraw/zinc/12/67/50/617126750.db2.gz	ICAVLRVQESKQNT-LLVKDONJSA-N	-1	0	288.369	0.941	20	30		CCEDRM
CO[C@@H](C)CC(=O)N1CCN(C(=O)[O-])C[C@H]1C#N	ZINC000828825223	617146777	/nfs/dbraw/zinc/14/67/77/617146777.db2.gz	YOVQLSVSMPKSQV-DTWKUNHWSA-N	-1	0	255.274	0.126	20	30		CCEDRM
N#CCCCS(=O)(=O)[N-]C(=O)COCC1CC1	ZINC000181291811	625369993	/nfs/dbraw/zinc/36/99/93/625369993.db2.gz	MYCZYMNESNREQE-UHFFFAOYSA-N	-1	0	260.315	0.163	20	30		CCEDRM
C[C@H](O)CN(C)N=Cc1ccc(OCC(=O)[O-])cc1	ZINC000841656415	625557395	/nfs/dbraw/zinc/55/73/95/625557395.db2.gz	SHJYRIKEZAMCBK-JTQLQIEISA-N	-1	0	266.297	0.797	20	30		CCEDRM
C[C@H](C(=O)Nc1cc(C#N)ccc1[O-])S(C)(=O)=O	ZINC000176823037	623083372	/nfs/dbraw/zinc/08/33/72/623083372.db2.gz	MWDYKRCDXFALJB-SSDOTTSWSA-N	-1	0	268.294	0.635	20	30		CCEDRM
COCCNC(=O)C(C#N)=C([O-])c1cc(C(C)C)nn1C	ZINC000177597387	623427026	/nfs/dbraw/zinc/42/70/26/623427026.db2.gz	MZVAMRCMXJDJRH-JTQLQIEISA-N	-1	0	292.339	0.629	20	30		CCEDRM
Cn1cc(S(=O)(=O)[N-]C(=O)c2ccco2)cn1	ZINC000048519902	624697477	/nfs/dbraw/zinc/69/74/77/624697477.db2.gz	KIRIIUQZTCNGJA-UHFFFAOYSA-N	-1	0	255.255	0.707	20	30		CCEDRM
CCO[C@@H]1C[C@@H]1C(=O)C(C#N)=C([O-])c1nccn1C	ZINC000178476560	625018043	/nfs/dbraw/zinc/01/80/43/625018043.db2.gz	DSTBENVJVFRYEM-IVZWLZJFSA-N	-1	0	261.281	0.737	20	30		CCEDRM
CCC[C@H](NS(=O)(=O)c1cccnc1C#N)C(=O)[O-]	ZINC000232008631	631659517	/nfs/dbraw/zinc/65/95/17/631659517.db2.gz	OKWIIVRKTYTUBE-QMMMGPOBSA-N	-1	0	283.309	0.485	20	30		CCEDRM
N#Cc1ccc(S(=O)(=O)NC/C=C/C(=O)[O-])s1	ZINC000304125996	631720478	/nfs/dbraw/zinc/72/04/78/631720478.db2.gz	KESIJXYJBIQYDW-OWOJBTEDSA-N	-1	0	272.307	0.539	20	30		CCEDRM
C#CCOCCC(=O)[N-]S(=O)(=O)c1ccc(F)cc1	ZINC000165190373	631900212	/nfs/dbraw/zinc/90/02/12/631900212.db2.gz	OUIWFLKDWHCATJ-UHFFFAOYSA-N	-1	0	285.296	0.671	20	30		CCEDRM
N#CCCCCS(=O)(=O)N1C[C@@H]2CC[C@]2(C(=O)[O-])C1	ZINC000899951229	633929405	/nfs/dbraw/zinc/92/94/05/633929405.db2.gz	SPWQAHZYGWNYKR-JQWIXIFHSA-N	-1	0	286.353	0.807	20	30		CCEDRM
N#Cc1nc(N2CCOC[C@@H]2C(=O)[O-])ccc1Cl	ZINC000900945129	634132494	/nfs/dbraw/zinc/13/24/94/634132494.db2.gz	MFDHBYFVSICSHR-SECBINFHSA-N	-1	0	267.672	0.896	20	30		CCEDRM
N#Cc1ccc(CC(=O)N2CCC[C@@H](C(=O)[O-])C2)cn1	ZINC000901501489	634254226	/nfs/dbraw/zinc/25/42/26/634254226.db2.gz	WUBILMASTMAYRM-LLVKDONJSA-N	-1	0	273.292	0.819	20	30		CCEDRM
C#CCCCS(=O)(=O)N1Cc2nc(C)[nH]c(=O)c2C1	ZINC000907371576	635114010	/nfs/dbraw/zinc/11/40/10/635114010.db2.gz	IJNWDHSKXKKPII-UHFFFAOYSA-N	-1	0	281.337	0.549	20	30		CCEDRM
N#C[C@@]1(C(=O)N[C@@H](CC(=O)[O-])C2CC2)CCCOC1	ZINC000907583675	635158738	/nfs/dbraw/zinc/15/87/38/635158738.db2.gz	CJZNTLSWWCYYQO-GWCFXTLKSA-N	-1	0	266.297	0.676	20	30		CCEDRM
C#CC1CCN(C(=O)c2ccnc3c(C(=O)[O-])cnn32)CC1	ZINC000911405781	636256123	/nfs/dbraw/zinc/25/61/23/636256123.db2.gz	AZSLZFVWZZEEAL-UHFFFAOYSA-N	-1	0	298.302	0.913	20	30		CCEDRM
C[C@H]1C(=O)N([N-]C(=O)c2sccc2C#N)C(=O)N1C	ZINC000912824020	636679682	/nfs/dbraw/zinc/67/96/82/636679682.db2.gz	LTFUHFOIBFJIET-LURJTMIESA-N	-1	0	278.293	0.547	20	30		CCEDRM
C#CCN(CC)C(=O)NCC1(C(=O)[O-])CCOCC1	ZINC000164773887	636882619	/nfs/dbraw/zinc/88/26/19/636882619.db2.gz	CXUBXNDQXXESEA-UHFFFAOYSA-N	-1	0	268.313	0.533	20	30		CCEDRM
Cc1ccc(C(=O)[N-]S(=O)(=O)N2CCCCC2)c(=O)[nH]1	ZINC000062677178	637178734	/nfs/dbraw/zinc/17/87/34/637178734.db2.gz	BXXCMPZNQLNHII-UHFFFAOYSA-N	-1	0	299.352	0.719	20	30		CCEDRM
Cc1cc(C)cc(NN=C2C(=O)[N-]C(=O)NC2=O)c1	ZINC000111869469	637812393	/nfs/dbraw/zinc/81/23/93/637812393.db2.gz	UNUWDJUIHIAFEC-UHFFFAOYSA-N	-1	0	260.253	0.437	20	30		CCEDRM
Cc1ncc(CO)c(C=NNc2nnc(C)c(=O)[n-]2)c1O	ZINC000916282356	637895674	/nfs/dbraw/zinc/89/56/74/637895674.db2.gz	BOSPZRFKCHUJNL-UHFFFAOYSA-N	-1	0	290.283	0.233	20	30		CCEDRM
O=C([O-])COc1ccccc1C=NN1CCOCC1	ZINC000916581606	637909309	/nfs/dbraw/zinc/90/93/09/637909309.db2.gz	MERTZFWAONHNHA-UHFFFAOYSA-N	-1	0	264.281	0.816	20	30		CCEDRM
CC(=O)c1cc(C(=O)[N-]S(=O)(=O)CCCC#N)n(C)c1	ZINC000181293728	638334076	/nfs/dbraw/zinc/33/40/76/638334076.db2.gz	FIHOULGVOSKCCF-UHFFFAOYSA-N	-1	0	297.336	0.591	20	30		CCEDRM
Cc1n[nH]c(C(=O)N[C@@H]2CCN(CC#N)CC2(C)C)c1[O-]	ZINC000940680743	638487230	/nfs/dbraw/zinc/48/72/30/638487230.db2.gz	LMHVTGKLHAHFPD-SNVBAGLBSA-N	-1	0	291.355	0.778	20	30		CCEDRM
N#C[C@@]1(C(=O)N2CC[C@@H](C(=O)[O-])C2)CCCOC1	ZINC000923069315	640013237	/nfs/dbraw/zinc/01/32/37/640013237.db2.gz	GEWYVNWDCWNYAU-SKDRFNHKSA-N	-1	0	252.270	0.240	20	30		CCEDRM
N#C[C@]1(C(=O)N2CCSC[C@@H](C(=O)[O-])C2)CCCOC1	ZINC000923101369	640022027	/nfs/dbraw/zinc/02/20/27/640022027.db2.gz	ICCYFCZTNLOTTP-GXFFZTMASA-N	-1	0	298.364	0.583	20	30		CCEDRM
CS(=O)(=O)CCNN=Cc1cc(C(=O)[O-])cs1	ZINC000755734600	640334400	/nfs/dbraw/zinc/33/44/00/640334400.db2.gz	SYMLHMSCTHNZEJ-UHFFFAOYSA-N	-1	0	276.339	0.414	20	30		CCEDRM
N#CCCCS(=O)(=O)[N-]C(=O)Cc1ccc(F)cn1	ZINC000805908781	640440619	/nfs/dbraw/zinc/44/06/19/640440619.db2.gz	FRRGAMIHZOPCMA-UHFFFAOYSA-N	-1	0	285.300	0.513	20	30		CCEDRM
Cc1cccc(CNC(=O)C(C#N)=C([O-])c2cnnn2C)c1	ZINC000798858783	640532955	/nfs/dbraw/zinc/53/29/55/640532955.db2.gz	RWKMUPCXJSJOIF-GFCCVEGCSA-N	-1	0	297.318	0.762	20	30		CCEDRM
NC(=O)CON=Cc1cn(CC(=O)[O-])c2ccccc12	ZINC000799883507	640598397	/nfs/dbraw/zinc/59/83/97/640598397.db2.gz	FVUWQMUSHHDCPN-UHFFFAOYSA-N	-1	0	275.264	0.562	20	30		CCEDRM
C#CCCCC(=O)[N-]S(=O)(=O)C[C@@H]1CCCOC1	ZINC000803010334	640714335	/nfs/dbraw/zinc/71/43/35/640714335.db2.gz	IJRQLSCCCZDVFE-LLVKDONJSA-N	-1	0	273.354	0.663	20	30		CCEDRM
N#CC(C(=O)NC1CC1)=C([O-])c1nnc2ccccc2n1	ZINC000810530294	640937170	/nfs/dbraw/zinc/93/71/70/640937170.db2.gz	AAWHRKCXCKOUNI-VIFPVBQESA-N	-1	0	281.275	0.626	20	30		CCEDRM
CC#CCS(=O)(=O)[N-]C(=O)C(C)(C)C(=O)OCC	ZINC000810775655	640949496	/nfs/dbraw/zinc/94/94/96/640949496.db2.gz	OLXSNZVKYMELEY-UHFFFAOYSA-N	-1	0	275.326	0.045	20	30		CCEDRM
Cc1cnn(C)c1S(=O)(=O)[N-]C(=O)CCCC#N	ZINC000813987067	641052278	/nfs/dbraw/zinc/05/22/78/641052278.db2.gz	AUSYXAFCYMRVOX-UHFFFAOYSA-N	-1	0	270.314	0.227	20	30		CCEDRM
O=C1[N-]C(=O)C(=NNc2cc(F)c(F)c(F)c2)C(=O)N1	ZINC000814222495	641060253	/nfs/dbraw/zinc/06/02/53/641060253.db2.gz	OKDMNMZXCPBJHE-UHFFFAOYSA-N	-1	0	286.169	0.238	20	30		CCEDRM
N#CCOc1cccc(C=Nn2c(=O)[n-][nH]c2=O)c1	ZINC000814231820	641062454	/nfs/dbraw/zinc/06/24/54/641062454.db2.gz	OOZBGCBYDQTBDJ-UHFFFAOYSA-N	-1	0	259.225	0.474	20	30		CCEDRM
C[C@H](C#N)Oc1ccc(C=Nn2c(=O)[n-][nH]c2=O)cc1	ZINC000814233339	641062460	/nfs/dbraw/zinc/06/24/60/641062460.db2.gz	LQNOPFNFJLUROH-MRVPVSSYSA-N	-1	0	273.252	0.862	20	30		CCEDRM
CN(C)c1cc(C#N)cc(C(=O)OCc2n[nH]c(=O)[n-]2)c1	ZINC000814571586	641070629	/nfs/dbraw/zinc/07/06/29/641070629.db2.gz	SMSFASHWPMZXSN-UHFFFAOYSA-N	-1	0	287.279	0.805	20	30		CCEDRM
C[C@@H]1C(N=Nc2ccc(C(N)=O)nn2)CC[C@@H]1CC(=O)[O-]	ZINC000814870106	641080105	/nfs/dbraw/zinc/08/01/05/641080105.db2.gz	NKDGSEOQEZCOCU-JGVFFNPUSA-N	-1	0	291.311	0.864	20	30		CCEDRM
C[C@@H](Oc1cccc(C=NNCCO)c1)C(=O)[O-]	ZINC000814944631	641083810	/nfs/dbraw/zinc/08/38/10/641083810.db2.gz	RXXVMJLYYBONJN-SECBINFHSA-N	-1	0	252.270	0.454	20	30		CCEDRM
C=CCC(C)(C)C(=O)N1CCO[C@@H](c2nnn[n-]2)C1	ZINC000815519774	641114759	/nfs/dbraw/zinc/11/47/59/641114759.db2.gz	HOQLIDUCXKTRIN-SECBINFHSA-N	-1	0	265.317	0.702	20	30		CCEDRM
Cc1nnc([S-])n(N=C2CCn3cccc32)c1=O	ZINC000818222262	641315113	/nfs/dbraw/zinc/31/51/13/641315113.db2.gz	VYKDEFHCGILNLI-UHFFFAOYSA-N	-1	0	261.310	0.693	20	30		CCEDRM
C[C@H]1CCn2ncc(C(=O)N[C@H]3CCN(O)C3=O)c2C1	ZINC000820131768	641464861	/nfs/dbraw/zinc/46/48/61/641464861.db2.gz	LIOAJTZYKMFQSL-WPRPVWTQSA-N	-1	0	278.312	0.185	20	30		CCEDRM
O=C(N[C@H]1CCN(O)C1=O)c1snnc1C1CC1	ZINC000820138357	641469782	/nfs/dbraw/zinc/46/97/82/641469782.db2.gz	YSILCJDMECHLEZ-LURJTMIESA-N	-1	0	268.298	0.135	20	30		CCEDRM
Cc1nscc1C(=O)[N-]S(=O)(=O)CCC#N	ZINC000821582175	641610516	/nfs/dbraw/zinc/61/05/16/641610516.db2.gz	GEDPYAIUAQHFHW-UHFFFAOYSA-N	-1	0	259.312	0.425	20	30		CCEDRM
C[C@@H](CC(=O)[O-])C(=O)OCC(=O)N[C@](C)(C#N)C1CC1	ZINC000827334612	641998162	/nfs/dbraw/zinc/99/81/62/641998162.db2.gz	TZVGHFVOFKFBCX-ISVAXAHUSA-N	-1	0	282.296	0.449	20	30		CCEDRM
C[C@H]1CC(=NC(=O)c2ccc3oc(=O)nc-3[n-]2)NO1	ZINC000831399808	642359180	/nfs/dbraw/zinc/35/91/80/642359180.db2.gz	RGJUAGYCEJJRBX-YFKPBYRVSA-N	-1	0	262.225	0.781	20	30		CCEDRM
CC(C)(C#N)C[N-]S(=O)(=O)N=S(C)(C)=O	ZINC000867081328	642532166	/nfs/dbraw/zinc/53/21/66/642532166.db2.gz	XOOCDTSXSSLTNZ-UHFFFAOYSA-N	-1	0	253.349	0.098	20	30		CCEDRM
N#CCCS(=O)(=O)[N-]C(=O)[C@@H]1Cc2ccc(F)cc21	ZINC000835408640	642660701	/nfs/dbraw/zinc/66/07/01/642660701.db2.gz	LURPGRVKXXVGPZ-LLVKDONJSA-N	-1	0	282.296	0.825	20	30		CCEDRM
N#CCCCS(=O)(=O)[N-]C(=O)C1SCCCS1	ZINC000842330287	642892399	/nfs/dbraw/zinc/89/23/99/642892399.db2.gz	RYJOKYRRGDCYFL-UHFFFAOYSA-N	-1	0	294.423	0.932	20	30		CCEDRM
C[C@@H](C(=O)[N-]S(=O)(=O)CCC#N)C(=O)OC(C)(C)C	ZINC000842354103	642893657	/nfs/dbraw/zinc/89/36/57/642893657.db2.gz	LWUXWHKWUZFLFW-QMMMGPOBSA-N	-1	0	290.341	0.324	20	30		CCEDRM
C[C@H](CO)N(C)N=Cc1ccc(O)c(C(=O)[O-])c1	ZINC000842539914	642909545	/nfs/dbraw/zinc/90/95/45/642909545.db2.gz	DDNHWCQUMMLRMT-MRVPVSSYSA-N	-1	0	252.270	0.737	20	30		CCEDRM
C[C@@H](Cc1ccco1)C(=O)[N-]S(=O)(=O)CCC#N	ZINC000851015957	643826362	/nfs/dbraw/zinc/82/63/62/643826362.db2.gz	KUXRVYZSAXZAIB-VIFPVBQESA-N	-1	0	270.310	0.818	20	30		CCEDRM
N#Cc1ccc(C(=O)[N-]S(=O)(=O)CC(F)F)o1	ZINC000851363494	643843887	/nfs/dbraw/zinc/84/38/87/643843887.db2.gz	OTVWKSLZYLYLAX-UHFFFAOYSA-N	-1	0	264.209	0.476	20	30		CCEDRM
C[C@@]1(C(=O)[O-])CCN(C(=O)C(=O)N2CC[C@](C)(C#N)C2)C1	ZINC000852915014	644056911	/nfs/dbraw/zinc/05/69/11/644056911.db2.gz	NEQHJXKFVXZQTP-ZIAGYGMSSA-N	-1	0	293.323	0.072	20	30		CCEDRM
Cc1nnc(NN=Cc2cc3n(n2)CCC3)[n-]c1=O	ZINC000853269983	644095793	/nfs/dbraw/zinc/09/57/93/644095793.db2.gz	DSWOAYKUWQGFDG-UHFFFAOYSA-N	-1	0	259.273	0.474	20	30		CCEDRM
Cc1nnc(NN=Cc2cnn3c2CCC3)[n-]c1=O	ZINC000853270006	644095898	/nfs/dbraw/zinc/09/58/98/644095898.db2.gz	FYIQXXHYZQVSMN-UHFFFAOYSA-N	-1	0	259.273	0.474	20	30		CCEDRM
Cn1ncc(C(F)(F)F)c1C=NNCC(=O)[O-]	ZINC000853350434	644100382	/nfs/dbraw/zinc/10/03/82/644100382.db2.gz	ISVZJWMNBLTVLH-UHFFFAOYSA-N	-1	0	250.180	0.447	20	30		CCEDRM
O=C([O-])C=NNCc1ccc(O[C@H]2CCOC2)cc1	ZINC000853350861	644101196	/nfs/dbraw/zinc/10/11/96/644101196.db2.gz	PNBYSMPOUFMZGE-LBPRGKRZSA-N	-1	0	264.281	0.862	20	30		CCEDRM
O=C([O-])C1(c2ccccc2)CC(=NNC2=NCC(=O)N2)C1	ZINC000863177561	645066785	/nfs/dbraw/zinc/06/67/85/645066785.db2.gz	QEBGHRDGASZFRB-UHFFFAOYSA-N	-1	0	286.291	0.234	20	30		CCEDRM
C[C@@H]1CC(=Nn2ccc(=O)[nH]c2=O)CC[C@@H]1C(=O)[O-]	ZINC000863182312	645067439	/nfs/dbraw/zinc/06/74/39/645067439.db2.gz	HMFMZOJHLLUUFG-APPZFPTMSA-N	-1	0	265.269	0.674	20	30		CCEDRM
N#Cc1cnn(CC(=O)CC[N-]C(=O)C(F)(F)F)c1	ZINC000865366017	645360718	/nfs/dbraw/zinc/36/07/18/645360718.db2.gz	FKPJDDRRZGESNX-UHFFFAOYSA-N	-1	0	274.202	0.392	20	30		CCEDRM
Cc1ccn(C[C@H](C)C(=O)N[C@@H]2CCCN(O)C2=O)n1	ZINC000868562227	645786196	/nfs/dbraw/zinc/78/61/96/645786196.db2.gz	DXQMOURRQFZGQJ-GXSJLCMTSA-N	-1	0	280.328	0.324	20	30		CCEDRM
O=C(N[C@H]1CCCN(O)C1=O)C1(c2ccccn2)CC1	ZINC000868562054	645786245	/nfs/dbraw/zinc/78/62/45/645786245.db2.gz	CAVAIUMXOPAGCE-JTQLQIEISA-N	-1	0	275.308	0.610	20	30		CCEDRM
C[C@@]1([N-]C(=O)C(F)(F)F)CCN(C(=O)NCCC#N)C1	ZINC000875540602	646537484	/nfs/dbraw/zinc/53/74/84/646537484.db2.gz	CICRGJGHRVEBNH-SNVBAGLBSA-N	-1	0	292.261	0.753	20	30		CCEDRM
Cc1[n-]sc(=NC(=O)NN2CCCC2=O)c1C#N	ZINC000931343930	648980470	/nfs/dbraw/zinc/98/04/70/648980470.db2.gz	SPVBEHPEOOKPHO-UHFFFAOYSA-N	-1	0	265.298	0.982	20	30		CCEDRM
Cn1cc(S(=O)(=O)[N-]C(=O)C2CC2)cc1C(N)=O	ZINC000042345709	649287876	/nfs/dbraw/zinc/28/78/76/649287876.db2.gz	TUCQWAUSVLAFDL-UHFFFAOYSA-N	-1	0	271.298	0.179	20	30		CCEDRM
N#CC(C(=O)NC1CC1)=C([O-])c1ccc(-n2cnnn2)cc1	ZINC000193459943	649541199	/nfs/dbraw/zinc/54/11/99/649541199.db2.gz	HDLNSYDPBLAFST-GFCCVEGCSA-N	-1	0	296.290	0.263	20	30		CCEDRM
C#C[C@H]1CC[C@H](NC(=O)[C@@](C)(OC)C(=O)[O-])CC1	ZINC001588432870	958289126	/nfs/dbraw/zinc/28/91/26/958289126.db2.gz	GFQGJTRXZDCYLY-GIPNMCIBSA-N	-1	0	253.298	0.784	20	30		CCEDRM
C=C(C)[C@@H]1OCC[C@H]1CNC(=O)[C@H](OC)C(=O)[O-]	ZINC001588440996	958332528	/nfs/dbraw/zinc/33/25/28/958332528.db2.gz	BEGJDIGUKPRYJK-GUBZILKMSA-N	-1	0	257.286	0.183	20	30		CCEDRM
C=CCOC[C@H](NC(=O)CC(C)(C)C#N)C(=O)[O-]	ZINC001573368523	963080924	/nfs/dbraw/zinc/08/09/24/963080924.db2.gz	GGFGHPKAHJJFAC-VIFPVBQESA-N	-1	0	254.286	0.698	20	30		CCEDRM
N#CCCCNS(=O)(=O)c1cc2oc(=O)[nH]c2cc1F	ZINC001211494767	790407494	/nfs/dbraw/zinc/40/74/94/790407494.db2.gz	YXNDUYPWXHAINT-UHFFFAOYSA-N	-1	0	299.283	0.842	20	30		CCEDRM
CCN1CCN(Cc2ccc(C#N)cc2O)CC1=O	ZINC001233387210	806054288	/nfs/dbraw/zinc/05/42/88/806054288.db2.gz	ZVLUEBAZWIPVCT-UHFFFAOYSA-N	-1	0	259.309	0.928	20	30		CCEDRM
N#Cc1cnc(N[C@@H]2CO[N-]C2=O)c2ccccc12	ZINC001167506549	791484164	/nfs/dbraw/zinc/48/41/64/791484164.db2.gz	IRMJHZGIRGMCAY-LLVKDONJSA-N	-1	0	254.249	0.948	20	30		CCEDRM
C#CC[C@H](C)Oc1c(C(=O)OC)n[n-]c1C(=O)OC	ZINC001234188066	806199614	/nfs/dbraw/zinc/19/96/14/806199614.db2.gz	CLGWPMFNFQHONU-ZETCQYMHSA-N	-1	0	266.253	0.774	20	30		CCEDRM
C=C[C@H](Oc1c(C(=O)OC)n[n-]c1C(=O)OC)C(=O)OC	ZINC001234188051	806199793	/nfs/dbraw/zinc/19/97/93/806199793.db2.gz	CACOBNVFWIGRME-LURJTMIESA-N	-1	0	298.251	0.089	20	30		CCEDRM
N#Cc1ccc2nc(=O)[n-]c(O[C@@H]3COC(=O)C3)c2c1	ZINC001234530992	806267306	/nfs/dbraw/zinc/26/73/06/806267306.db2.gz	QINOHIZKKDRWRG-QMMMGPOBSA-N	-1	0	271.232	0.901	20	30		CCEDRM
Cn1cc(CCC(=O)C(C#N)=C([O-])c2nccn2C)nn1	ZINC001122730582	799290843	/nfs/dbraw/zinc/29/08/43/799290843.db2.gz	JCURPJMNJQFGGV-JTQLQIEISA-N	-1	0	286.295	0.073	20	30		CCEDRM
C=CCC[C@H](NC(=O)[C@@H]1[C@H]2CCCO[C@H]21)C(=O)[O-]	ZINC001123379284	799400835	/nfs/dbraw/zinc/40/08/35/799400835.db2.gz	UBTLVSSGOLEIJE-LMLFDSFASA-N	-1	0	253.298	0.947	20	30		CCEDRM
O=C(C#Cc1ccccc1)NC1C(=O)N=CN=C1[O-]	ZINC001142857752	800167620	/nfs/dbraw/zinc/16/76/20/800167620.db2.gz	LYCJWVMYOFTUDR-UHFFFAOYSA-N	-1	0	255.233	0.878	20	30		CCEDRM
Cc1nc(C#N)cnc1NCC[N-]C(=O)C(F)(F)F	ZINC001156203295	801129468	/nfs/dbraw/zinc/12/94/68/801129468.db2.gz	NBBBMOGTMUFHEK-UHFFFAOYSA-N	-1	0	273.218	0.747	20	30		CCEDRM
CC[C@H](NC(=O)c1[n-]c(=O)c(C#N)cc1C)[C@H](C)O	ZINC001157766771	801475462	/nfs/dbraw/zinc/47/54/62/801475462.db2.gz	NBQJHZJXBRZJKO-WPRPVWTQSA-N	-1	0	263.297	0.857	20	30		CCEDRM
C=CCC[C@@H](NC(=O)c1c[n-]ncc1=O)C(=O)OCC	ZINC001158287377	801614272	/nfs/dbraw/zinc/61/42/72/801614272.db2.gz	BAADBVANCKEONY-SNVBAGLBSA-N	-1	0	279.296	0.810	20	30		CCEDRM
COc1cc(NCC(=O)CCC(=O)[O-])ncc1C#N	ZINC001160871341	802036265	/nfs/dbraw/zinc/03/62/65/802036265.db2.gz	NENHOCGYVMRJSZ-UHFFFAOYSA-N	-1	0	263.253	0.808	20	30		CCEDRM
COC(=O)c1cc(C#N)cnc1NCC(=O)CCC(=O)[O-]	ZINC001160876725	802039122	/nfs/dbraw/zinc/03/91/22/802039122.db2.gz	NTXBSJGBNUUXCN-UHFFFAOYSA-N	-1	0	291.263	0.586	20	30		CCEDRM
C#C[C@H](NC(=O)Cn1c(=O)[n-][nH]c1=O)c1ccccc1	ZINC001163097397	802481993	/nfs/dbraw/zinc/48/19/93/802481993.db2.gz	XOWPNQOHOZPAAT-JTQLQIEISA-N	-1	0	272.264	0.180	20	30		CCEDRM
C=CCS(=O)(=O)N[C@@H](C(=O)OC)c1ccccn1	ZINC001259933315	808809013	/nfs/dbraw/zinc/80/90/13/808809013.db2.gz	UOGDODBTPOYGKW-SNVBAGLBSA-N	-1	0	270.310	0.401	20	30		CCEDRM
Cn1c(=O)[n-]c(NCc2cnn3ccccc23)c(C#N)c1=O	ZINC001163265828	802524851	/nfs/dbraw/zinc/52/48/51/802524851.db2.gz	OPOZWIBPPXCCMG-UHFFFAOYSA-N	-1	0	296.290	0.205	20	30		CCEDRM
N#Cc1cnc(N[C@@H]2SC(=O)[N-]C2=O)c([N+](=O)[O-])c1	ZINC001163661683	802583454	/nfs/dbraw/zinc/58/34/54/802583454.db2.gz	BLCJTLYKLMWEFY-MRVPVSSYSA-N	-1	0	279.237	0.582	20	30		CCEDRM
C#CCN(C)S(=O)(=O)c1ccc(F)c(C(=O)[O-])c1	ZINC000164444812	803312119	/nfs/dbraw/zinc/31/21/19/803312119.db2.gz	BIGCHZDVKSMXPS-UHFFFAOYSA-N	-1	0	271.269	0.778	20	30		CCEDRM
C[C@H](C#N)S(=O)(=O)[N-]c1cccc2c1c(=O)[nH][nH]c2=O	ZINC000088475112	803480250	/nfs/dbraw/zinc/48/02/50/803480250.db2.gz	ITFBBJNDAYOERJ-ZCFIWIBFSA-N	-1	0	294.292	0.282	20	30		CCEDRM
N#Cc1cnccc1[N-]S(=O)(=O)c1ccccc1N	ZINC001214016910	803711406	/nfs/dbraw/zinc/71/14/06/803711406.db2.gz	WRIWLQGYEDSZTR-UHFFFAOYSA-N	-1	0	274.305	0.758	20	30		CCEDRM
Nc1nonc1C(=N[O-])Nc1ccc(F)c2n[nH]cc21	ZINC001215368615	803800488	/nfs/dbraw/zinc/80/04/88/803800488.db2.gz	PWKULKQJNKDFFF-UHFFFAOYSA-N	-1	0	277.219	0.915	20	30		CCEDRM
CC(=O)OC[C@H](N)C(=O)Nc1cc(C#N)c(F)cc1[O-]	ZINC001219067898	804189288	/nfs/dbraw/zinc/18/92/88/804189288.db2.gz	CQAMWUIQYMBLFJ-VIFPVBQESA-N	-1	0	281.243	0.232	20	30		CCEDRM
COC(=O)c1cc(=O)[n-]c(O[C@H]2C=CC(=O)C2)n1	ZINC001225729870	805155760	/nfs/dbraw/zinc/15/57/60/805155760.db2.gz	DQPNTWOZJXWNDM-ZETCQYMHSA-N	-1	0	250.210	0.245	20	30		CCEDRM
C=C[C@@]1(C)CC[C@H](Oc2c([O-])c(=O)c(=O)c2=O)C(C)(C)O1	ZINC001225830063	805166542	/nfs/dbraw/zinc/16/65/42/805166542.db2.gz	DNFSOVCKOGXLGQ-AYVTZFPOSA-N	-1	0	294.303	0.630	20	30		CCEDRM
C#C[C@@H](Oc1nc(C)[n-]c(=O)c1F)C(=O)OCC	ZINC001226423376	805229148	/nfs/dbraw/zinc/22/91/48/805229148.db2.gz	HIDPYHUKWGGPTL-SSDOTTSWSA-N	-1	0	254.217	0.573	20	30		CCEDRM
C=CCOC[C@H](CS(=O)(=O)[O-])Oc1ccc(N)nc1	ZINC001226779223	805280050	/nfs/dbraw/zinc/28/00/50/805280050.db2.gz	DNPPXYOUJIVNNY-SNVBAGLBSA-N	-1	0	288.325	0.502	20	30		CCEDRM
CC1=C(Oc2nc(C)[n-]c(=O)c2[N+](=O)[O-])C(=O)[C@@H](C)O1	ZINC001229378082	805526320	/nfs/dbraw/zinc/52/63/20/805526320.db2.gz	FOMKEXMRCSIZAB-SCSAIBSYSA-N	-1	0	281.224	0.997	20	30		CCEDRM
C#CCOC[C@@H](O)CNc1cccc(S(=O)(=O)[O-])c1	ZINC001251860789	807726348	/nfs/dbraw/zinc/72/63/48/807726348.db2.gz	UIKYCIDRMLAZKU-NSHDSACASA-N	-1	0	285.321	0.356	20	30		CCEDRM
C=CCOC[C@H](CS(=O)(=O)[O-])OCC(OC)OC	ZINC001204902580	815147058	/nfs/dbraw/zinc/14/70/58/815147058.db2.gz	OWJXQAYSHZBFMO-SECBINFHSA-N	-1	0	284.330	0.081	20	30		CCEDRM
CCS(=O)(=O)[N-]c1c(C#N)cnc2c(C#N)cnn21	ZINC001253284793	808042786	/nfs/dbraw/zinc/04/27/86/808042786.db2.gz	MOZIPUKAVINBPQ-UHFFFAOYSA-N	-1	0	276.281	0.234	20	30		CCEDRM
CCS(=O)(=O)[N-]c1c(C#N)cnn1C(=O)OC	ZINC001253397913	808057081	/nfs/dbraw/zinc/05/70/81/808057081.db2.gz	RZBCZAPRQQIGTG-UHFFFAOYSA-N	-1	0	258.259	0.131	20	30		CCEDRM
[NH3+]CCC[N@H+](C[C@@H](S)OP(=O)([O-])[O-])C1CCCC1	ZINC001257349445	808611275	/nfs/dbraw/zinc/61/12/75/808611275.db2.gz	NWKCSQSEWHMWLR-SNVBAGLBSA-N	-1	0	298.345	0.945	20	30		CCEDRM
COC(=O)CS(=O)(=O)[N-]c1ccc(C#N)s1	ZINC001259018348	808717768	/nfs/dbraw/zinc/71/77/68/808717768.db2.gz	HABBMLLRYFWHIQ-UHFFFAOYSA-N	-1	0	260.296	0.534	20	30		CCEDRM
COC(=O)CS(=O)(=O)[N-]c1cc(C#N)cnc1C	ZINC001259019196	808719103	/nfs/dbraw/zinc/71/91/03/808719103.db2.gz	XLWSOEHLZPPTSR-UHFFFAOYSA-N	-1	0	269.282	0.176	20	30		CCEDRM
COC(=O)CS(=O)(=O)[N-]c1cnc(C#N)c(Cl)c1	ZINC001259018900	808719493	/nfs/dbraw/zinc/71/94/93/808719493.db2.gz	YLPNJOVZDKZTOG-UHFFFAOYSA-N	-1	0	289.700	0.521	20	30		CCEDRM
Cc1nc(C#N)c([N-]S(=O)(=O)c2cnn(C)c2)o1	ZINC001259820737	808776321	/nfs/dbraw/zinc/77/63/21/808776321.db2.gz	NIOJCKGRJSAMAY-UHFFFAOYSA-N	-1	0	267.270	0.389	20	30		CCEDRM
Cc1nn(C)c(C)c1S(=O)(=O)[N-]c1oncc1C#N	ZINC001260105771	808853136	/nfs/dbraw/zinc/85/31/36/808853136.db2.gz	UIZQQHDWXQSYJV-UHFFFAOYSA-N	-1	0	281.297	0.697	20	30		CCEDRM
Cc1coc([N-]S(=O)(=O)CS(C)(=O)=O)c1C#N	ZINC001260585117	808869715	/nfs/dbraw/zinc/86/97/15/808869715.db2.gz	OXCMGSUPFPXBAI-UHFFFAOYSA-N	-1	0	278.311	0.204	20	30		CCEDRM
Cc1nc([N-]S(=O)(=O)c2cn[nH]c2)c(C#N)cc1C#N	ZINC001260954486	808887451	/nfs/dbraw/zinc/88/74/51/808887451.db2.gz	SMWJCUUUOGRYJP-UHFFFAOYSA-N	-1	0	288.292	0.657	20	30		CCEDRM
COC1(C=Nn2c(=O)c(C)n[n-]c2=S)CCC1	ZINC001261128550	808910708	/nfs/dbraw/zinc/91/07/08/808910708.db2.gz	VKAIJQLLBJLZJC-UHFFFAOYSA-N	-1	0	254.315	0.638	20	30		CCEDRM
C=C(C)Cn1c(-c2cc(=O)[nH][n-]2)nnc1N(C)CCCF	ZINC001263330140	809510848	/nfs/dbraw/zinc/51/08/48/809510848.db2.gz	BPRMABDZXRTFFG-UHFFFAOYSA-N	-1	0	294.334	0.874	20	30		CCEDRM
Cc1c(C#N)ccnc1N[C@@H]1C(=O)N(S(=O)(=O)[O-])[C@H]1C	ZINC001167857786	812317924	/nfs/dbraw/zinc/31/79/24/812317924.db2.gz	IFFSTPUHOQQYRV-CBAPKCEASA-N	-1	0	296.308	0.076	20	30		CCEDRM
C=CC(C=C)Oc1nc(=O)[n-]c(C(=O)OC)c1[N+](=O)[O-]	ZINC001226649597	814068418	/nfs/dbraw/zinc/06/84/18/814068418.db2.gz	MDMAPGYCZRLLTM-UHFFFAOYSA-N	-1	0	281.224	0.996	20	30		CCEDRM
C=CCOC[C@H](CS(=O)(=O)[O-])OCC#CC1CC1	ZINC001224850189	815610653	/nfs/dbraw/zinc/61/06/53/815610653.db2.gz	LRJDLURSUNRYPA-GFCCVEGCSA-N	-1	0	274.338	0.875	20	30		CCEDRM
C=CCCSCCNC(=O)N1CCOC[C@@H]1C(=O)[O-]	ZINC000696046191	815939559	/nfs/dbraw/zinc/93/95/59/815939559.db2.gz	RFQSJPKGRMOFGA-SNVBAGLBSA-N	-1	0	288.369	0.791	20	30		CCEDRM
CN1C[C@@H](C(=O)Nc2cc(C#N)ccc2[O-])CC1=O	ZINC000176394665	816467087	/nfs/dbraw/zinc/46/70/87/816467087.db2.gz	FYDCBQRXZRFXIF-VIFPVBQESA-N	-1	0	259.265	0.681	20	30		CCEDRM
C#CCN1CC(CNC(=O)c2ccc3oc(=O)nc-3[n-]2)C1	ZINC001032125451	817652788	/nfs/dbraw/zinc/65/27/88/817652788.db2.gz	NUMUNJAMRJUIHJ-UHFFFAOYSA-N	-1	0	286.291	0.223	20	30		CCEDRM
C#CCCCCC(=O)N1CCO[C@](C)(C(=O)[O-])C1	ZINC000711565223	820050904	/nfs/dbraw/zinc/05/09/04/820050904.db2.gz	OMRYFWAAENISRF-ZDUSSCGKSA-N	-1	0	253.298	0.882	20	30		CCEDRM
N#CCN[C@@H]1CCCC[C@H]1NC(=O)c1cnc[nH]c1=O	ZINC001085238447	821635631	/nfs/dbraw/zinc/63/56/31/821635631.db2.gz	PFNYVRWRDKSSNM-GHMZBOCLSA-N	-1	0	275.312	0.336	20	30		CCEDRM
COc1cc(N[C@H]2SC(=O)[N-]C2=O)ncc1C#N	ZINC001155838026	822258865	/nfs/dbraw/zinc/25/88/65/822258865.db2.gz	VZOSOHXXRBHMPB-VIFPVBQESA-N	-1	0	264.266	0.683	20	30		CCEDRM
N#CC1(CS(=O)(=O)[N-]C(=O)C[C@H]2CCCO2)CC1	ZINC000793200421	837400306	/nfs/dbraw/zinc/40/03/06/837400306.db2.gz	BBQQYPQRCACLSE-SECBINFHSA-N	-1	0	272.326	0.305	20	30		CCEDRM
C=CCOC[C@H](CS(=O)(=O)[O-])OCOCCOC	ZINC001205283936	844104379	/nfs/dbraw/zinc/10/43/79/844104379.db2.gz	BVTTZFQIHXUROD-SNVBAGLBSA-N	-1	0	284.330	0.083	20	30		CCEDRM
N#C[C@@H]1CNCCN1C(=O)CCC(=O)C1=CC=C[CH]1	ZINC001184244666	844187806	/nfs/dbraw/zinc/18/78/06/844187806.db2.gz	KTRSOYWKZDVXNS-GFCCVEGCSA-N	-1	0	258.301	0.360	20	30		CCEDRM
C[C@@]1(CO)CN(C(=O)CCC(=O)C2=CC=C[CH]2)CC[C@@H]1O	ZINC001184244008	844187931	/nfs/dbraw/zinc/18/79/31/844187931.db2.gz	GDIBXTHBFKFASV-HOCLYGCPSA-N	-1	0	292.355	0.628	20	30		CCEDRM
C=CCO[N-]C(=O)Cn1nnc(-c2ccc(C)cc2)n1	ZINC001158208315	837986507	/nfs/dbraw/zinc/98/65/07/837986507.db2.gz	FGMJWRFOHZWNAT-UHFFFAOYSA-N	-1	0	273.296	0.882	20	30		CCEDRM
CO[N-]C(=O)CNC(=O)[C@H](C)Oc1ccc(C#N)cc1	ZINC001134634287	839031888	/nfs/dbraw/zinc/03/18/88/839031888.db2.gz	CSUQJMMXZLZEAW-VIFPVBQESA-N	-1	0	277.280	0.119	20	30		CCEDRM
CO[C@H]1CCC[C@H]1C(=O)Nc1nc(C#N)c(C#N)[n-]1	ZINC001143815084	839882937	/nfs/dbraw/zinc/88/29/37/839882937.db2.gz	MGRQAPYTIFSEDU-XCBNKYQSSA-N	-1	0	259.269	0.907	20	30		CCEDRM
Cn1cc(C(=O)C(=O)[N-]Oc2cccc(C#N)c2)cn1	ZINC001171246554	840190545	/nfs/dbraw/zinc/19/05/45/840190545.db2.gz	KLUJCZDTAUURTB-UHFFFAOYSA-N	-1	0	270.248	0.585	20	30		CCEDRM
N#C[C@H](NC(=O)CCc1nnn[n-]1)C1CCCCC1	ZINC001148335193	840786235	/nfs/dbraw/zinc/78/62/35/840786235.db2.gz	UMMQIESLQHYEIA-JTQLQIEISA-N	-1	0	262.317	0.721	20	30		CCEDRM
COc1ncnc([N-]S(=O)(=O)c2ccco2)c1C#N	ZINC001186820076	844604232	/nfs/dbraw/zinc/60/42/32/844604232.db2.gz	LPIREPOYRPLQOH-UHFFFAOYSA-N	-1	0	280.265	0.751	20	30		CCEDRM
COc1cc(C(=O)[O-])ccc1-n1nc(N)c(C#N)c1N	ZINC001174674731	842199570	/nfs/dbraw/zinc/19/95/70/842199570.db2.gz	JMUQWRLOPPKQJR-UHFFFAOYSA-N	-1	0	273.252	0.615	20	30		CCEDRM
Cn1ccc(C(=O)N2C[C@@H](F)C[C@H]2C#N)c1CC(=O)[O-]	ZINC001177364575	842568074	/nfs/dbraw/zinc/56/80/74/842568074.db2.gz	DSBLQXVQTXPWCL-IUCAKERBSA-N	-1	0	279.271	0.728	20	30		CCEDRM
Cc1coc(NC(=O)Cn2nn[n-]c2=S)c1C#N	ZINC001177736308	842663489	/nfs/dbraw/zinc/66/34/89/842663489.db2.gz	JILFIIMMXXXTRK-UHFFFAOYSA-N	-1	0	264.270	0.374	20	30		CCEDRM
N#C[C@@H](Cc1cccs1)C(=O)NCS(=O)(=O)[O-]	ZINC001177915255	842707810	/nfs/dbraw/zinc/70/78/10/842707810.db2.gz	LMIMFBRGDKQZDQ-SSDOTTSWSA-N	-1	0	274.323	0.392	20	30		CCEDRM
N#C[C@H]1CNCCN1C(=O)C1(C(=O)[O-])CCCCC1	ZINC001180434854	843167541	/nfs/dbraw/zinc/16/75/41/843167541.db2.gz	QKMDAZWMFQLBEQ-JTQLQIEISA-N	-1	0	265.313	0.345	20	30		CCEDRM
N#Cc1ccccc1CC(=O)N[C@@H]1SC(=O)[N-]C1=O	ZINC001181802869	843619637	/nfs/dbraw/zinc/61/96/37/843619637.db2.gz	XSICLPYPUAPNLZ-LLVKDONJSA-N	-1	0	275.289	0.526	20	30		CCEDRM
C[C@H](C(=O)NCc1n[nH]c(=O)[n-]1)c1ccc(C#N)cc1	ZINC001182798092	843915628	/nfs/dbraw/zinc/91/56/28/843915628.db2.gz	IDMNZWHEHSNWMW-QMMMGPOBSA-N	-1	0	271.280	0.802	20	30		CCEDRM
N=C(c1nonc1N)N(O)C(=O)Cc1ccc([S-])cc1	ZINC001183184305	843974331	/nfs/dbraw/zinc/97/43/31/843974331.db2.gz	PCELWXRHMSTTFB-UHFFFAOYSA-N	-1	0	293.308	0.726	20	30		CCEDRM
C#Cc1nccnc1[N-]S(=O)(=O)c1nccs1	ZINC001187853040	844783430	/nfs/dbraw/zinc/78/34/30/844783430.db2.gz	FGRRTVDJLMAMHT-UHFFFAOYSA-N	-1	0	266.307	0.715	20	30		CCEDRM
Cn1cnc([N-]S(=O)(=O)c2ccoc2)c1C#N	ZINC001188579782	844925110	/nfs/dbraw/zinc/92/51/10/844925110.db2.gz	KMZYBRDCDDHBHB-UHFFFAOYSA-N	-1	0	252.255	0.686	20	30		CCEDRM
CC(C)[C@@H](CO)NS(=O)(=O)c1cc(C#N)ccc1F	ZINC001190608347	845443157	/nfs/dbraw/zinc/44/31/57/845443157.db2.gz	OMOYDAGTLXYBLL-LLVKDONJSA-N	-1	0	286.328	0.993	20	30		CCEDRM
Cn1cnc([N-]S(=O)(=O)c2ccncc2)c1C#N	ZINC001190859581	845527850	/nfs/dbraw/zinc/52/78/50/845527850.db2.gz	JNWHNHAVHJUJKY-UHFFFAOYSA-N	-1	0	263.282	0.488	20	30		CCEDRM
N#CCS(=O)(=O)[N-]c1cc(Cl)cnc1C#N	ZINC001192951003	845933186	/nfs/dbraw/zinc/93/31/86/845933186.db2.gz	FZVFOFBEFRHWNM-UHFFFAOYSA-N	-1	0	256.674	0.872	20	30		CCEDRM
COC(=O)c1cc(C)cnc1[N-]S(=O)(=O)CC#N	ZINC001192938876	845942219	/nfs/dbraw/zinc/94/22/19/845942219.db2.gz	ICFWPDVTMNTUAI-UHFFFAOYSA-N	-1	0	269.282	0.442	20	30		CCEDRM
COc1cc(OC)c(OC)cc1[N-]S(=O)(=O)CC#N	ZINC001192981190	845943239	/nfs/dbraw/zinc/94/32/39/845943239.db2.gz	YMICMBRTLIODOX-UHFFFAOYSA-N	-1	0	286.309	0.978	20	30		CCEDRM
COC(=O)c1ccc([N-]S(=O)(=O)CC#N)c(F)c1	ZINC001192979034	845961596	/nfs/dbraw/zinc/96/15/96/845961596.db2.gz	VGWUZBHEPGGCEE-UHFFFAOYSA-N	-1	0	272.257	0.878	20	30		CCEDRM
C[C@H](C#N)S(=O)(=O)[N-]c1cc2n(n1)CC1(CC1)CO2	ZINC001193111078	845980575	/nfs/dbraw/zinc/98/05/75/845980575.db2.gz	CAVWUJIBPFNBBM-MRVPVSSYSA-N	-1	0	282.325	0.709	20	30		CCEDRM
C[C@@H](C#N)S(=O)(=O)[N-]c1cc2n(n1)CCCO2	ZINC001193112374	845980836	/nfs/dbraw/zinc/98/08/36/845980836.db2.gz	SCWLRJMRYSABMC-ZETCQYMHSA-N	-1	0	256.287	0.319	20	30		CCEDRM
Cn1nncc1C(=O)Nc1cc(C#N)c(F)cc1[O-]	ZINC001193135144	845999745	/nfs/dbraw/zinc/99/97/45/845999745.db2.gz	RMQMYYWJHLIVPD-UHFFFAOYSA-N	-1	0	261.216	0.784	20	30		CCEDRM
COC(=O)[C@@H]([N-]S(=O)(=O)[C@@H](C)C#N)c1ccccn1	ZINC001193168865	846011420	/nfs/dbraw/zinc/01/14/20/846011420.db2.gz	MWSXCLZQEHCYAK-WPRPVWTQSA-N	-1	0	283.309	0.127	20	30		CCEDRM
C[C@@H]1C(=O)NCCN1C(=O)c1ccc([O-])c(C#N)c1	ZINC001193504541	846101417	/nfs/dbraw/zinc/10/14/17/846101417.db2.gz	TYHLBEBZZLDOAD-MRVPVSSYSA-N	-1	0	259.265	0.224	20	30		CCEDRM
CN1C[C@@H](NC(=O)c2cccc(C#N)c2[O-])CCC1=O	ZINC001193658241	846139503	/nfs/dbraw/zinc/13/95/03/846139503.db2.gz	ZQXPQNMQNJUXOE-JTQLQIEISA-N	-1	0	273.292	0.614	20	30		CCEDRM
COC(=O)[C@@H]1C[C@@H]1CNC(=O)c1cccc(C#N)c1[O-]	ZINC001193659360	846139977	/nfs/dbraw/zinc/13/99/77/846139977.db2.gz	LTLFJDFEABPUGK-MWLCHTKSSA-N	-1	0	274.276	0.803	20	30		CCEDRM
COC(=O)C1(C#N)CCN(C(=O)c2cc(=O)n(C)[n-]2)CC1	ZINC001194201961	846239582	/nfs/dbraw/zinc/23/95/82/846239582.db2.gz	RMLSBIWGOGKEHB-UHFFFAOYSA-N	-1	0	292.295	0.045	20	30		CCEDRM
C=C[C@H]1C[C@]1(NC(=O)c1cc(=O)n(C)[n-]1)C(=O)OCC	ZINC001194212547	846242546	/nfs/dbraw/zinc/24/25/46/846242546.db2.gz	SZMGDYUFNCYOSX-ISVAXAHUSA-N	-1	0	279.296	0.363	20	30		CCEDRM
Cn1ncc([N-]S(=O)(=O)C2CCC(=O)CC2)c1C#N	ZINC001194763735	846389600	/nfs/dbraw/zinc/38/96/00/846389600.db2.gz	HBZBDFNFOOZPJL-UHFFFAOYSA-N	-1	0	282.325	0.545	20	30		CCEDRM
N#Cc1ccc(C(=O)NCc2cccnn2)c([O-])c1	ZINC001195765050	846613855	/nfs/dbraw/zinc/61/38/55/846613855.db2.gz	WDJOFYKLUKEWIO-UHFFFAOYSA-N	-1	0	254.249	0.984	20	30		CCEDRM
Cn1ncc([N-]S(=O)(=O)c2ccc(O)cc2)c1C#N	ZINC001195766894	846615103	/nfs/dbraw/zinc/61/51/03/846615103.db2.gz	AWHVLICVOGGALV-UHFFFAOYSA-N	-1	0	278.293	0.798	20	30		CCEDRM
CC(=O)NC[C@H](C)CNC(=O)c1ccc(C#N)cc1[O-]	ZINC001195767860	846615432	/nfs/dbraw/zinc/61/54/32/846615432.db2.gz	AYSWAZXXIBEBJO-VIFPVBQESA-N	-1	0	275.308	0.766	20	30		CCEDRM
Cn1ncc(C#N)c1[N-]S(=O)(=O)Cc1cccnc1	ZINC001197421660	846908994	/nfs/dbraw/zinc/90/89/94/846908994.db2.gz	KRUYASDWXLRLKW-UHFFFAOYSA-N	-1	0	277.309	0.629	20	30		CCEDRM
C#C[C@@H](CO)NC(=O)CC1(CC(=O)[O-])CCCC1	ZINC000718138873	849231410	/nfs/dbraw/zinc/23/14/10/849231410.db2.gz	FDIAFTWWJACRBO-JTQLQIEISA-N	-1	0	253.298	0.522	20	30		CCEDRM
C=CCCS(=O)(=O)NCc1ncc(C(=O)[O-])s1	ZINC000720688538	849523071	/nfs/dbraw/zinc/52/30/71/849523071.db2.gz	NUEOKBRTFQCRJA-UHFFFAOYSA-N	-1	0	276.339	0.837	20	30		CCEDRM
C=CCCN1CC(N(C)C(=O)c2n[nH]c(C)c2[O-])C1	ZINC001042620058	850714254	/nfs/dbraw/zinc/71/42/54/850714254.db2.gz	SXGQYZMROLMIPN-UHFFFAOYSA-N	-1	0	264.329	0.756	20	30		CCEDRM
C#CC[C@@H](NC(=O)CNC(=O)c1cccs1)C(=O)[O-]	ZINC000149594974	853987941	/nfs/dbraw/zinc/98/79/41/853987941.db2.gz	UIPGUZILEQZJDK-MRVPVSSYSA-N	-1	0	280.305	0.071	20	30		CCEDRM
C#CC[C@H](NC(=O)[C@H]1CCCN1c1ncccn1)C(=O)[O-]	ZINC000149896709	854007130	/nfs/dbraw/zinc/00/71/30/854007130.db2.gz	IZIAXYZFPFAKIC-WDEREUQCSA-N	-1	0	288.307	0.038	20	30		CCEDRM
C#CC[C@@H](NC(=O)[C@H]1Cc2ccccc2O1)C(=O)[O-]	ZINC000149936139	854008836	/nfs/dbraw/zinc/00/88/36/854008836.db2.gz	BIADNVIVYFRBFJ-ZYHUDNBSSA-N	-1	0	259.261	0.583	20	30		CCEDRM
C#CC[C@H](NC(=O)[C@@H]1Oc2ccccc2O[C@@H]1C)C(=O)[O-]	ZINC000149961962	854010003	/nfs/dbraw/zinc/01/00/03/854010003.db2.gz	OCDHLCSGPKJLLC-GBIKHYSHSA-N	-1	0	289.287	0.808	20	30		CCEDRM
C=CCN(CC(=O)[O-])C(=O)N[C@@H]1C[C@H](C)O[C@H]1C	ZINC000394990696	854272441	/nfs/dbraw/zinc/27/24/41/854272441.db2.gz	DULYJLNJKBINFW-LPEHRKFASA-N	-1	0	256.302	0.835	20	30		CCEDRM
C[C@@H](CCC(=O)[O-])NC(=O)C1(C#N)CCOCC1	ZINC001116485045	855773753	/nfs/dbraw/zinc/77/37/53/855773753.db2.gz	POBVNRVMNFFVJU-VIFPVBQESA-N	-1	0	254.286	0.676	20	30		CCEDRM
N#CCCCS(=O)(=O)N[C@H](CC(=O)[O-])c1ccccn1	ZINC001116663105	855806707	/nfs/dbraw/zinc/80/67/07/855806707.db2.gz	KCOOCQQLPFGXBE-LLVKDONJSA-N	-1	0	297.336	0.821	20	30		CCEDRM
N#Cc1ccc(C(=O)[N-]S(=O)(=O)C(F)F)o1	ZINC001117681386	856045040	/nfs/dbraw/zinc/04/50/40/856045040.db2.gz	MZULVKMUENTAEM-UHFFFAOYSA-N	-1	0	250.182	0.433	20	30		CCEDRM
C=CCOC[C@H](NC(=O)c1ccc(OCC)nc1)C(=O)[O-]	ZINC001117845621	856091021	/nfs/dbraw/zinc/09/10/21/856091021.db2.gz	SPQVEMBWOTYEHM-NSHDSACASA-N	-1	0	294.307	0.866	20	30		CCEDRM
C=CCSCCNC(=O)C(=O)N[C@H]1C[C@H](C(=O)[O-])C1	ZINC001119331244	856635065	/nfs/dbraw/zinc/63/50/65/856635065.db2.gz	NLSOFIGGWGHQBR-KYZUINATSA-N	-1	0	286.353	0.001	20	30		CCEDRM
CN(C)c1ncc(CN[C@@H]2CCCN(O)C2=O)s1	ZINC001119450743	856689506	/nfs/dbraw/zinc/68/95/06/856689506.db2.gz	XEACWORWBYCBSQ-SECBINFHSA-N	-1	0	270.358	0.679	20	30		CCEDRM
C=CC(C)(C)CC(=O)[N-]S(=O)(=O)[C@@H](C)C(=O)OC	ZINC001119485122	856702018	/nfs/dbraw/zinc/70/20/18/856702018.db2.gz	CSOBBTHQDVGLBT-QMMMGPOBSA-N	-1	0	277.342	0.596	20	30		CCEDRM
CC(C)O[N-]C(=O)C/N=C1/NS(=O)(=O)c2ccccc21	ZINC001324494990	912873006	/nfs/dbraw/zinc/87/30/06/912873006.db2.gz	OSSVCRDVCGZPJQ-UHFFFAOYSA-N	-1	0	297.336	0.181	20	30		CCEDRM
CCCO[N-]C(=O)C(=O)Nc1cc(C)nn1CCC#N	ZINC001326834537	914217545	/nfs/dbraw/zinc/21/75/45/914217545.db2.gz	OWFAEEHAHSINOC-UHFFFAOYSA-N	-1	0	279.300	0.502	20	30		CCEDRM
N#CCC1(O)CN(C(=O)c2c([O-])cc(F)cc2F)C1	ZINC001116754549	898224450	/nfs/dbraw/zinc/22/44/50/898224450.db2.gz	YPXSHBSIBJXNHS-UHFFFAOYSA-N	-1	0	268.219	0.771	20	30		CCEDRM
Cc1n[nH]c(C(=O)N[C@@H]2C[C@@H](NCC#N)C23CCC3)c1[O-]	ZINC001078601816	898428439	/nfs/dbraw/zinc/42/84/39/898428439.db2.gz	MMGVLHVZFMLALL-NXEZZACHSA-N	-1	0	289.339	0.578	20	30		CCEDRM
C=CC[C@H](NC(=O)CN1Cc2ccccc2C1=O)C(=O)[O-]	ZINC001327012766	914312505	/nfs/dbraw/zinc/31/25/05/914312505.db2.gz	DIBASPDIGNZONI-LBPRGKRZSA-N	-1	0	288.303	0.788	20	30		CCEDRM
COC(=O)c1cccnc1[N-]S(=O)(=O)[C@H](C)C#N	ZINC001193106230	900031890	/nfs/dbraw/zinc/03/18/90/900031890.db2.gz	NDQICELGNDASRK-SSDOTTSWSA-N	-1	0	269.282	0.522	20	30		CCEDRM
C[C@H](C#N)S(=O)(=O)[N-]c1sccc1C(N)=O	ZINC001193106846	900031967	/nfs/dbraw/zinc/03/19/67/900031967.db2.gz	YQHGWUBLBRNVPQ-RXMQYKEDSA-N	-1	0	259.312	0.501	20	30		CCEDRM
CN(C)C(=O)[C@@H]1CC12CN(C(=O)c1cccc(C#N)c1[O-])C2	ZINC001276216011	901974218	/nfs/dbraw/zinc/97/42/18/901974218.db2.gz	VMTLGSJSFWGIAW-LBPRGKRZSA-N	-1	0	299.330	0.814	20	30		CCEDRM
Cc1cc(C#N)c(=O)[n-]c1C(=O)N1CC[C@H](C)[C@@H]1CO	ZINC001412841801	902292063	/nfs/dbraw/zinc/29/20/63/902292063.db2.gz	SRNYILGILYKZCT-KWQFWETISA-N	-1	0	275.308	0.810	20	30		CCEDRM
Cn1c(=O)[n-]c(NCCc2cccc(O)c2)c(C#N)c1=O	ZINC001412871061	902316872	/nfs/dbraw/zinc/31/68/72/902316872.db2.gz	CFBBADMBCKCCGF-UHFFFAOYSA-N	-1	0	286.291	0.305	20	30		CCEDRM
CN(Cc1nc(=O)o[n-]1)C(=O)COc1cccc(C#N)c1	ZINC001413178421	902759748	/nfs/dbraw/zinc/75/97/48/902759748.db2.gz	GEWVCZAZBJQZCK-UHFFFAOYSA-N	-1	0	288.263	0.272	20	30		CCEDRM
Cc1c(C#N)cccc1C(=O)NCc1nc([O-])cc(=O)[nH]1	ZINC001413348784	902894143	/nfs/dbraw/zinc/89/41/43/902894143.db2.gz	YCHBCHJQRRWDQL-UHFFFAOYSA-N	-1	0	284.275	0.998	20	30		CCEDRM
C=CC[C@H](NC(=O)c1ccnn1CC(F)F)C(=O)[O-]	ZINC001332613973	904515953	/nfs/dbraw/zinc/51/59/53/904515953.db2.gz	RZLMJQUZNABBHK-ZETCQYMHSA-N	-1	0	273.239	0.907	20	30		CCEDRM
C[C@@H]1OCC[C@@H]1Sc1[n-]c(=O)n(C)c(=O)c1C#N	ZINC001337091588	921184164	/nfs/dbraw/zinc/18/41/64/921184164.db2.gz	DSJWCSATGJFQPB-XPUUQOCRSA-N	-1	0	267.310	0.215	20	30		CCEDRM
CC[C@@](C)(C#N)NC(=O)c1cccc(-n2[n-]nnc2=N)c1	ZINC001292649967	906315467	/nfs/dbraw/zinc/31/54/67/906315467.db2.gz	FSFVZEKVWUVDQJ-ZDUSSCGKSA-N	-1	0	285.311	0.497	20	30		CCEDRM
C=CC[C@@H](NC(=O)c1cnn(CCOC)c1)C(=O)[O-]	ZINC001334981460	906506977	/nfs/dbraw/zinc/50/69/77/906506977.db2.gz	WKAKWUIODMMZTC-SNVBAGLBSA-N	-1	0	267.285	0.289	20	30		CCEDRM
C=C[C@@H]1OCC[C@H]1C(=O)N(C)C[C@@H](C)c1nnn[n-]1	ZINC001296062920	906858338	/nfs/dbraw/zinc/85/83/38/906858338.db2.gz	BLPMQKYVIKZUJA-BBBLOLIVSA-N	-1	0	265.317	0.353	20	30		CCEDRM
C[C@H]1CCCCN(c2[n-]c(=O)n(C)c(=O)c2C#N)C1	ZINC001337828533	921296632	/nfs/dbraw/zinc/29/66/32/921296632.db2.gz	BEVUJCXPJDYJJH-VIFPVBQESA-N	-1	0	262.313	0.572	20	30		CCEDRM
C[C@H]1CCCN(c2[n-]c(=O)n(C)c(=O)c2C#N)[C@H]1C	ZINC001337867437	921300322	/nfs/dbraw/zinc/30/03/22/921300322.db2.gz	DYMGASARQHFZLX-IUCAKERBSA-N	-1	0	262.313	0.570	20	30		CCEDRM
Cc1n[nH]c(C(=O)NC[C@@H](C)NC(=O)C#CC2CC2)c1[O-]	ZINC001298589581	907283636	/nfs/dbraw/zinc/28/36/36/907283636.db2.gz	BLVIIUUHRLSHAB-MRVPVSSYSA-N	-1	0	290.323	0.072	20	30		CCEDRM
Cn1c(=O)[n-]c(N2CCC(C)(F)CC2)c(C#N)c1=O	ZINC001337941572	921320837	/nfs/dbraw/zinc/32/08/37/921320837.db2.gz	LCLZPGSHYPSHSW-UHFFFAOYSA-N	-1	0	266.276	0.274	20	30		CCEDRM
N#CCCCCC(=O)Nc1ncn(CC(=O)[O-])n1	ZINC001329157036	908736021	/nfs/dbraw/zinc/73/60/21/908736021.db2.gz	FIFVYSMAYWOSFH-UHFFFAOYSA-N	-1	0	251.246	0.385	20	30		CCEDRM
Cc1nnc([S-])n(N=Cc2cccc3c[nH]nc32)c1=O	ZINC001319056925	909969901	/nfs/dbraw/zinc/96/99/01/909969901.db2.gz	DFYJCHQDGAPVOW-UHFFFAOYSA-N	-1	0	286.320	0.994	20	30		CCEDRM
Cc1nnc(NN=Cc2ccc(C(=O)N(C)C)[nH]2)[n-]c1=O	ZINC001319135809	909996366	/nfs/dbraw/zinc/99/63/66/909996366.db2.gz	YZJZTAGTDNPPQN-UHFFFAOYSA-N	-1	0	289.299	0.362	20	30		CCEDRM
O=C([O-])Cn1cc(C=CC(=O)c2cc[nH]c(=O)c2)nn1	ZINC001321003956	911005685	/nfs/dbraw/zinc/00/56/85/911005685.db2.gz	POJANUYMWFVVQX-UPHRSURJSA-N	-1	0	274.236	0.359	20	30		CCEDRM
C=CC[C@@H](NC(=O)NCCCO[C@H]1CCOC1)C(=O)[O-]	ZINC001321109992	911092574	/nfs/dbraw/zinc/09/25/74/911092574.db2.gz	JQUITLBXGJCXAW-WDEREUQCSA-N	-1	0	286.328	0.511	20	30		CCEDRM
C=CC[C@H](NC(=O)C(=O)c1c(C)nn(C)c1C)C(=O)[O-]	ZINC001321206273	911159515	/nfs/dbraw/zinc/15/95/15/911159515.db2.gz	MGJHCAMJGGWBFG-VIFPVBQESA-N	-1	0	279.296	0.365	20	30		CCEDRM
N#CCCN1CCN(C(=O)C2(C(=O)[O-])CCC2)CC1	ZINC001339182356	921673816	/nfs/dbraw/zinc/67/38/16/921673816.db2.gz	DVXYKCQIMPWFHA-UHFFFAOYSA-N	-1	0	265.313	0.299	20	30		CCEDRM
C=CC[C@@H](NC(=O)NC[C@H](C)Cn1cccn1)C(=O)[O-]	ZINC001322515252	911840235	/nfs/dbraw/zinc/84/02/35/911840235.db2.gz	VWTKWQOSLNIULZ-WDEREUQCSA-N	-1	0	280.328	0.848	20	30		CCEDRM
C=CC[C@H](NC(=O)c1c([N+](=O)[O-])cnn1C)C(=O)[O-]	ZINC001322602130	911878708	/nfs/dbraw/zinc/87/87/08/911878708.db2.gz	QGULHGCBLJSBNE-LURJTMIESA-N	-1	0	268.229	0.087	20	30		CCEDRM
C=C[C@@](C)(O)C(=O)N[C@@H]1CCOC2(CC(C(=O)[O-])C2)C1	ZINC001339568287	921763351	/nfs/dbraw/zinc/76/33/51/921763351.db2.gz	NKMVPRBFKHWYKZ-GAZZVSFRSA-N	-1	0	283.324	0.452	20	30		CCEDRM
C[C@H]1CN(C(=O)C(=O)NCCCCC#N)CC[C@H]1C(=O)[O-]	ZINC001329063069	915639169	/nfs/dbraw/zinc/63/91/69/915639169.db2.gz	UFTRFHYPYYLQNU-WDEREUQCSA-N	-1	0	295.339	0.366	20	30		CCEDRM
C=CC1(S(=O)(=O)[N-]C(=O)c2ccccn2)CC1	ZINC001330035278	916370815	/nfs/dbraw/zinc/37/08/15/916370815.db2.gz	OCBVJRILAOOUPF-UHFFFAOYSA-N	-1	0	252.295	0.860	20	30		CCEDRM
C#CCSCC(=O)[N-]S(=O)(=O)c1cccn1C	ZINC001331493322	917373040	/nfs/dbraw/zinc/37/30/40/917373040.db2.gz	BJPYLOJCRKBZAK-UHFFFAOYSA-N	-1	0	272.351	0.196	20	30		CCEDRM
C=C(Cl)C[C@H]([NH3+])C(=O)N1CCCC[C@H]1C(=O)[O-]	ZINC001331858402	917666879	/nfs/dbraw/zinc/66/68/79/917666879.db2.gz	RKDMNCNPEULFGN-IUCAKERBSA-N	-1	0	260.721	0.922	20	30		CCEDRM
CSc1[n-]c(=O)c(C(=O)N2CC=C[C@@H]2CO)cc1C#N	ZINC001332783704	918437197	/nfs/dbraw/zinc/43/71/97/918437197.db2.gz	PZFFFNNBJPGKAS-SECBINFHSA-N	-1	0	291.332	0.754	20	30		CCEDRM
C=C[C@@H](O)C(=O)NC1(C(=O)[O-])Cc2ccccc2C1	ZINC001333317822	918798714	/nfs/dbraw/zinc/79/87/14/918798714.db2.gz	IPDNEVINSVEIBO-LLVKDONJSA-N	-1	0	261.277	0.272	20	30		CCEDRM
C#CC[C@H](NC(=O)[C@@H]1CCCN(CC(F)F)C1)C(=O)[O-]	ZINC001334202531	919421864	/nfs/dbraw/zinc/42/18/64/919421864.db2.gz	NHTUEEIGNCEXBC-ZJUUUORDSA-N	-1	0	288.294	0.556	20	30		CCEDRM
C=CC(C)(C)CC(=O)[N-]S(=O)(=O)c1cc[nH]n1	ZINC001334261956	919464224	/nfs/dbraw/zinc/46/42/24/919464224.db2.gz	RWDLTIKXDRCOPU-UHFFFAOYSA-N	-1	0	257.315	0.817	20	30		CCEDRM
C=C(C)C[C@@H](NC(=O)/C=C(\C)CN1CCOCC1)C(=O)[O-]	ZINC001335003448	919890346	/nfs/dbraw/zinc/89/03/46/919890346.db2.gz	PXAJIRYWJVFTLB-CNELAYHGSA-N	-1	0	296.367	0.801	20	30		CCEDRM
Cn1c(=O)[n-]c(NCCC[C@H]2CCOC2)c(C#N)c1=O	ZINC001336647454	920899269	/nfs/dbraw/zinc/89/92/69/920899269.db2.gz	ACELIVAOIQJKHE-VIFPVBQESA-N	-1	0	278.312	0.174	20	30		CCEDRM
C=C(C)CCC(=O)N1CCN([C@]2(C(=O)[O-])CCOC2)CC1	ZINC001336884554	921081576	/nfs/dbraw/zinc/08/15/76/921081576.db2.gz	VMDGLIFQIKCXCE-OAHLLOKOSA-N	-1	0	296.367	0.731	20	30		CCEDRM
CN(Cc1nc(=O)o[n-]1)C(=O)c1ccccc1CC#N	ZINC001418189070	921883247	/nfs/dbraw/zinc/88/32/47/921883247.db2.gz	USMVGJOFEHRORU-UHFFFAOYSA-N	-1	0	272.264	0.701	20	30		CCEDRM
CC(C)NC(=O)C(C#N)=C([O-])c1ccc(C(N)=O)o1	ZINC001341904690	922718315	/nfs/dbraw/zinc/71/83/15/922718315.db2.gz	UUSNUJOENUSIQV-ZETCQYMHSA-N	-1	0	263.253	0.226	20	30		CCEDRM
C=CCn1cc(C([O-])=C(C#N)C(=O)N2CCCC2)nn1	ZINC001341952929	922737343	/nfs/dbraw/zinc/73/73/43/922737343.db2.gz	YDCOAAZPEWWFEC-JTQLQIEISA-N	-1	0	273.296	0.409	20	30		CCEDRM
COCc1nn(C)cc1C([O-])=C(C#N)C(=O)NC1CC1	ZINC001342047784	922778110	/nfs/dbraw/zinc/77/81/10/922778110.db2.gz	CHFPSAVUVAUWAC-VIFPVBQESA-N	-1	0	276.296	0.168	20	30		CCEDRM
CNC(=O)C(C#N)=C([O-])c1ccc2[nH]c(=O)oc2c1	ZINC001343293240	923260976	/nfs/dbraw/zinc/26/09/76/923260976.db2.gz	ULEALSKGRLNHCR-ZETCQYMHSA-N	-1	0	259.221	0.602	20	30		CCEDRM
COc1cccn2ncc(C([O-])=C(C#N)C(=O)NC3CC3)c12	ZINC001346240407	924127776	/nfs/dbraw/zinc/12/77/76/924127776.db2.gz	TWNMNDKBLBBALX-SNVBAGLBSA-N	-1	0	298.302	0.944	20	30		CCEDRM
C[C@@H](Nc1[n-]c(=O)n(C)c(=O)c1C#N)C(=O)OC(C)(C)C	ZINC001421130545	924173064	/nfs/dbraw/zinc/17/30/64/924173064.db2.gz	LCAUQUQUAGHELQ-SSDOTTSWSA-N	-1	0	294.311	0.087	20	30		CCEDRM
C=CCCOCC(=O)N1CC[C@@H](c2nnn[n-]2)C1	ZINC001347198458	924394788	/nfs/dbraw/zinc/39/47/88/924394788.db2.gz	OPBKMKPIRRGVAY-SECBINFHSA-N	-1	0	251.290	0.108	20	30		CCEDRM
C[C@H](N(C)c1[n-]c(=O)n(C)c(=O)c1C#N)C1(C)CC1	ZINC001348030993	924580871	/nfs/dbraw/zinc/58/08/71/924580871.db2.gz	AUJGSWBJFKSPNP-QMMMGPOBSA-N	-1	0	262.313	0.570	20	30		CCEDRM
CCCCN(c1[n-]c(=O)n(C)c(=O)c1C#N)C1CC1	ZINC001348044356	924582929	/nfs/dbraw/zinc/58/29/29/924582929.db2.gz	ZHPJDIZOMMRKHJ-UHFFFAOYSA-N	-1	0	262.313	0.714	20	30		CCEDRM
C=CC[C@@H](NC(=O)c1cc(OC)ccn1)C(=O)[O-]	ZINC001349458266	924966450	/nfs/dbraw/zinc/96/64/50/924966450.db2.gz	VSKCSIVWQZUUAT-SECBINFHSA-N	-1	0	250.254	0.849	20	30		CCEDRM
CC(=NN(C)C[C@@H](C)O)c1cncc(C(=O)[O-])c1	ZINC001349816419	925068771	/nfs/dbraw/zinc/06/87/71/925068771.db2.gz	BMXZVESNWFZBBX-MRVPVSSYSA-N	-1	0	251.286	0.816	20	30		CCEDRM
C=CCC[C@H](NC(=O)[C@H](c1cncn1C)N(C)C)C(=O)[O-]	ZINC001350768398	925274072	/nfs/dbraw/zinc/27/40/72/925274072.db2.gz	LYGWYFRPQWPCMS-JQWIXIFHSA-N	-1	0	294.355	0.558	20	30		CCEDRM
C#CCO[N-]C(=O)C1(CNC(=O)OC(C)(C)C)CC(O)C1	ZINC001351793103	925473159	/nfs/dbraw/zinc/47/31/59/925473159.db2.gz	ADFVYFSJMGVIQX-UHFFFAOYSA-N	-1	0	298.339	0.333	20	30		CCEDRM
CN1C(=O)CS/C1=C\C(=O)Nc1nc(C#N)c(C#N)[n-]1	ZINC001300045271	925593307	/nfs/dbraw/zinc/59/33/07/925593307.db2.gz	ZWYVJYRWURONBL-SGAXSIHGSA-N	-1	0	288.292	0.138	20	30		CCEDRM
C=C(Cl)CNC(=O)CN1CCC[C@H](C(=O)[O-])C1	ZINC001354040964	925992104	/nfs/dbraw/zinc/99/21/04/925992104.db2.gz	ZNYPCPKDYIOUNJ-VIFPVBQESA-N	-1	0	260.721	0.652	20	30		CCEDRM
O=C([N-][C@H](CO)C(F)(F)F)[C@H](F)C(F)(F)F	ZINC001472230963	925999724	/nfs/dbraw/zinc/99/97/24/925999724.db2.gz	GWWQCBSFMWEUEO-GBXIJSLDSA-N	-1	0	257.105	0.926	20	30		CCEDRM
Cn1ccnc1C(=O)C(C#N)=C([O-])c1ccc(C(N)=O)o1	ZINC001357598443	926567062	/nfs/dbraw/zinc/56/70/62/926567062.db2.gz	HGRXJGFGXIZLJG-ZETCQYMHSA-N	-1	0	286.247	0.317	20	30		CCEDRM
C=C[C@@H](C)O[N-]C(=O)[C@@H]1CC(c2cnn(C)c2)=NO1	ZINC001358353057	926680077	/nfs/dbraw/zinc/68/00/77/926680077.db2.gz	HATILUOLSJBZIW-KCJUWKMLSA-N	-1	0	264.285	0.535	20	30		CCEDRM
N#Cc1c[n-]n2c1nc(CN1C[C@H]3CC[C@@H](C1)O3)cc2=O	ZINC001414028576	926860110	/nfs/dbraw/zinc/86/01/10/926860110.db2.gz	JBLMIZCCWYECSX-TXEJJXNPSA-N	-1	0	285.307	0.670	20	30		CCEDRM
C#CC[C@@H](NC(=O)c1cnn2c1nc(C)cc2C)C(=O)[O-]	ZINC000149956209	926944395	/nfs/dbraw/zinc/94/43/95/926944395.db2.gz	PJSUNPVXHWWKDY-LLVKDONJSA-N	-1	0	286.291	0.552	20	30		CCEDRM
C=CC[C@@H](NC(=O)c1cc(C(C)=O)cn1C)C(=O)[O-]	ZINC000150020751	926944989	/nfs/dbraw/zinc/94/49/89/926944989.db2.gz	DJBBLDQHRBMSLX-SNVBAGLBSA-N	-1	0	264.281	0.987	20	30		CCEDRM
C=CC[C@H](NC(=O)c1cc(COC)on1)C(=O)[O-]	ZINC000150322490	926950486	/nfs/dbraw/zinc/95/04/86/926950486.db2.gz	ZEQJVMIQGPDVTO-QMMMGPOBSA-N	-1	0	254.242	0.580	20	30		CCEDRM
C[C@@H](NC(=O)Cn1cc(C#N)c(=O)[n-]c1=O)c1ccccc1	ZINC001361596373	927180222	/nfs/dbraw/zinc/18/02/22/927180222.db2.gz	MJSFNUAZYCBJMG-SNVBAGLBSA-N	-1	0	298.302	0.698	20	30		CCEDRM
CN(C(=O)[C@@](C)(C#N)CC(=O)OC(C)(C)C)c1nnn[n-]1	ZINC001361667515	927233387	/nfs/dbraw/zinc/23/33/87/927233387.db2.gz	RQVUVUNRKHSQCH-GFCCVEGCSA-N	-1	0	294.315	0.424	20	30		CCEDRM
Cc1nnc(CCNC(=O)c2[n-]c(=O)c(C#N)cc2C)[nH]1	ZINC001361914643	927443906	/nfs/dbraw/zinc/44/39/06/927443906.db2.gz	LDOFCAXOIPEZHU-UHFFFAOYSA-N	-1	0	286.295	0.366	20	30		CCEDRM
C[C@@H]1CCC[C@@H](NC(=O)Cn2cc(C#N)c(=O)[n-]c2=O)C1	ZINC001361920122	927450209	/nfs/dbraw/zinc/45/02/09/927450209.db2.gz	ZVLQHQYFCLSJCX-MWLCHTKSSA-N	-1	0	290.323	0.515	20	30		CCEDRM
C[C@@H]1CCCC[C@@H]1NC(=O)Cn1cc(C#N)c(=O)[n-]c1=O	ZINC001361999133	927507966	/nfs/dbraw/zinc/50/79/66/927507966.db2.gz	JDEPXJKNPYGNTI-KOLCDFICSA-N	-1	0	290.323	0.515	20	30		CCEDRM
N#Cc1cn(CC(=O)NCCc2ccccc2)c(=O)[n-]c1=O	ZINC001362011417	927518537	/nfs/dbraw/zinc/51/85/37/927518537.db2.gz	VYCAUJSTGABMFV-UHFFFAOYSA-N	-1	0	298.302	0.179	20	30		CCEDRM
Cc1cc(C#N)c(=O)[n-]c1C(=O)NCC(=O)N1CCCC1	ZINC001362035815	927541735	/nfs/dbraw/zinc/54/17/35/927541735.db2.gz	PALZUVQTBIXRAS-UHFFFAOYSA-N	-1	0	288.307	0.320	20	30		CCEDRM
N#Cc1ccc(CNC(=O)CCCc2nnn[n-]2)c(F)c1	ZINC001362055843	927563403	/nfs/dbraw/zinc/56/34/03/927563403.db2.gz	DGMPRWLXSPKAPO-UHFFFAOYSA-N	-1	0	288.286	0.850	20	30		CCEDRM
N#C[C@]1(C(=O)NCc2n[nH]c(=O)[n-]2)CC2CCC1CC2	ZINC001362066475	927578665	/nfs/dbraw/zinc/57/86/65/927578665.db2.gz	WUNJNNSFJKAAGQ-KJHLLKJSSA-N	-1	0	275.312	0.847	20	30		CCEDRM
Cc1cc(C#N)c(=O)[n-]c1C(=O)NC[C@H]1CCCNC1=O	ZINC001362120981	927633981	/nfs/dbraw/zinc/63/39/81/927633981.db2.gz	BSNCXXGIFGMZDB-SECBINFHSA-N	-1	0	288.307	0.223	20	30		CCEDRM
N#Cc1ccc(CNC(=O)CCc2nnn[n-]2)c(F)c1	ZINC001362137447	927652157	/nfs/dbraw/zinc/65/21/57/927652157.db2.gz	KYSXXPCNJNIBEP-UHFFFAOYSA-N	-1	0	274.259	0.459	20	30		CCEDRM
N#Cc1ccc2c(c1)N(C(=O)Cn1c(=O)[n-][nH]c1=O)CC2	ZINC001362436406	928018344	/nfs/dbraw/zinc/01/83/44/928018344.db2.gz	RWNHUCSBVSXUSI-UHFFFAOYSA-N	-1	0	285.263	0.150	20	30		CCEDRM
N#Cc1cc(C(=O)N2CCC[C@H](c3nnn[n-]3)C2)co1	ZINC001362563801	928182059	/nfs/dbraw/zinc/18/20/59/928182059.db2.gz	SPKIWTDUQHCZNP-QMMMGPOBSA-N	-1	0	272.268	0.684	20	30		CCEDRM
N#Cc1ccc2c(c1)C[C@@H](NC(=O)c1n[nH]c(=O)[n-]c1=O)C2	ZINC001363196912	928967787	/nfs/dbraw/zinc/96/77/87/928967787.db2.gz	OSATUGMOCZZWFS-JTQLQIEISA-N	-1	0	297.274	0.052	20	30		CCEDRM
Cc1oc(C#N)cc1C(=O)N1CC[C@@H](c2nnn[n-]2)C1	ZINC001363215963	928982994	/nfs/dbraw/zinc/98/29/94/928982994.db2.gz	FJFVJSCKHOAKPQ-MRVPVSSYSA-N	-1	0	272.268	0.603	20	30		CCEDRM
Cc1cc(F)c(C#N)cc1NC(=O)Cn1c(=O)[n-][nH]c1=O	ZINC001363336476	929128277	/nfs/dbraw/zinc/12/82/77/929128277.db2.gz	VCIQTNGMTZYKSO-UHFFFAOYSA-N	-1	0	291.242	0.647	20	30		CCEDRM
COC[C@H](CCNC(=O)c1[n-]c(=O)c(C#N)cc1C)OC	ZINC001363474756	929277578	/nfs/dbraw/zinc/27/75/78/929277578.db2.gz	KAAABGROFYPFOD-NSHDSACASA-N	-1	0	293.323	0.749	20	30		CCEDRM
Cc1cc(C#N)c(=O)[n-]c1C(=O)N(C[C@@H](C)O)C1CC1	ZINC001363722009	929521408	/nfs/dbraw/zinc/52/14/08/929521408.db2.gz	XHNDIMIKESSVIC-SECBINFHSA-N	-1	0	275.308	0.953	20	30		CCEDRM
C#C[C@@H](CO)NC(=O)c1cc([N+](=O)[O-])ccc1[O-]	ZINC001450338102	931274529	/nfs/dbraw/zinc/27/45/29/931274529.db2.gz	ZOANHIFEHABJSR-ZETCQYMHSA-N	-1	0	250.210	0.024	20	30		CCEDRM
CN(CC(C)(C)C#N)C(=O)[C@@](C)(C#N)CC(=O)[O-]	ZINC001610916156	970786690	/nfs/dbraw/zinc/78/66/90/970786690.db2.gz	IQRCQXFJESJDPY-GFCCVEGCSA-N	-1	0	251.286	0.999	20	30		CCEDRM
N#Cc1ccsc1NC(=O)CN[C@@]1(C(=O)[O-])CCOC1	ZINC001601129727	970940411	/nfs/dbraw/zinc/94/04/11/970940411.db2.gz	PTQWOXFJYYPMDL-LBPRGKRZSA-N	-1	0	295.320	0.392	20	30		CCEDRM
O=C([O-])c1ccc(/C=C/C(=O)N[C@H]2CCCN(O)C2=O)o1	ZINC001601237259	970962524	/nfs/dbraw/zinc/96/25/24/970962524.db2.gz	PMXXOYTXNQHPDZ-DNQSNQRASA-N	-1	0	294.263	0.487	20	30		CCEDRM
N#CCNC(=O)CNC(=O)Nc1ccccc1C(=O)[O-]	ZINC001611291057	970975981	/nfs/dbraw/zinc/97/59/81/970975981.db2.gz	HDMGVIGZIOJGJY-UHFFFAOYSA-N	-1	0	276.252	0.146	20	30		CCEDRM
C#C[C@@H](NC(=O)[C@]1(C(=O)[O-])C[C@H]1C)[C@H]1CCCO1	ZINC001602673291	971239159	/nfs/dbraw/zinc/23/91/59/971239159.db2.gz	SQNSQDOKIMDLHA-PRFIWBCESA-N	-1	0	251.282	0.394	20	30		CCEDRM
C#CCN(CC(=O)[O-])C(=O)[C@H]1CCCC[C@@H]1OC	ZINC001602681987	971264663	/nfs/dbraw/zinc/26/46/63/971264663.db2.gz	CLDXRRXEBZTXSI-QWRGUYRKSA-N	-1	0	253.298	0.738	20	30		CCEDRM
C#CCN(CC(=O)[O-])C(=O)Nc1nn(C)cc1Cl	ZINC001602688177	971288211	/nfs/dbraw/zinc/28/82/11/971288211.db2.gz	FPOFKSOWHFCWJL-UHFFFAOYSA-N	-1	0	270.676	0.625	20	30		CCEDRM
C#CCN(CC(=O)[O-])C(=O)c1ccn(C(F)F)n1	ZINC001602692524	971303245	/nfs/dbraw/zinc/30/32/45/971303245.db2.gz	SDKXCUTUUIVHLZ-UHFFFAOYSA-N	-1	0	257.196	0.438	20	30		CCEDRM
C#CCN(CC(=O)[O-])[C@@H](C(N)=O)c1ccc(F)cc1	ZINC001602695861	971312746	/nfs/dbraw/zinc/31/27/46/971312746.db2.gz	WBWWRLLHPCTHOI-GFCCVEGCSA-N	-1	0	264.256	0.372	20	30		CCEDRM
C#CCN(CC(=O)[O-])Cc1cccc(C(=O)OC)n1	ZINC001602695503	971307573	/nfs/dbraw/zinc/30/75/73/971307573.db2.gz	HSDRVKXBSWAYCC-UHFFFAOYSA-N	-1	0	262.265	0.388	20	30		CCEDRM
C#CCN(CC(=O)[O-])[C@H](C)C(=O)NCC(F)(F)F	ZINC001602695427	971307932	/nfs/dbraw/zinc/30/79/32/971307932.db2.gz	FRFVUIXXAWZQAU-SSDOTTSWSA-N	-1	0	266.219	0.073	20	30		CCEDRM
C=C(Br)COC(=O)[C@@](C)(OC)C(=O)[O-]	ZINC001602706828	971339090	/nfs/dbraw/zinc/33/90/90/971339090.db2.gz	AYNJVYJSQPYZCR-QMMMGPOBSA-N	-1	0	267.075	0.928	20	30		CCEDRM
C=C(C)CN(CC)C(=O)[C@@H]1CCCN(CC(=O)[O-])C1=O	ZINC001602709519	971346452	/nfs/dbraw/zinc/34/64/52/971346452.db2.gz	FODCXXNZJUXLCN-NSHDSACASA-N	-1	0	282.340	0.734	20	30		CCEDRM
C=C(C)COCCn1nnnc1N1CC[C@@H](C(=O)[O-])C1	ZINC001602709749	971347631	/nfs/dbraw/zinc/34/76/31/971347631.db2.gz	JKZIAUJVDZSOQG-SNVBAGLBSA-N	-1	0	281.316	0.177	20	30		CCEDRM
C=C[C@H](C)O[N-]C(=O)COc1ccc(-c2nn[nH]n2)cc1	ZINC001573317025	947292388	/nfs/dbraw/zinc/29/23/88/947292388.db2.gz	KTAWHQJLITVUOP-VIFPVBQESA-N	-1	0	289.295	0.868	20	30		CCEDRM
C=C(C)Cn1nnnc1N1CC[C@](C)(C(=O)[O-])C1	ZINC001602712485	971356469	/nfs/dbraw/zinc/35/64/69/971356469.db2.gz	SDVLDKYWUUGYLT-NSHDSACASA-N	-1	0	251.290	0.550	20	30		CCEDRM
C=CC(C)(C)C(=O)N(CCC(=O)OC)CC(=O)[O-]	ZINC001602713291	971363652	/nfs/dbraw/zinc/36/36/52/971363652.db2.gz	XXQSHERJUHHJBP-UHFFFAOYSA-N	-1	0	257.286	0.675	20	30		CCEDRM
C=CC1CCN(C(=O)C(=O)N2CCC(C(=O)[O-])CC2)CC1	ZINC001602717497	971368348	/nfs/dbraw/zinc/36/83/48/971368348.db2.gz	OSPHXFSJULOTMP-UHFFFAOYSA-N	-1	0	294.351	0.734	20	30		CCEDRM
C=CCO[C@@H]1CC[N@@H+](Cc2c(C(=O)[O-])cnn2C)C1	ZINC001602723272	971395240	/nfs/dbraw/zinc/39/52/40/971395240.db2.gz	YBYAFQTXPQXGHK-SNVBAGLBSA-N	-1	0	265.313	0.895	20	30		CCEDRM
C=C[C@H](CO)NC(=O)Nc1cccc(CC(=O)[O-])c1	ZINC001602731157	971412728	/nfs/dbraw/zinc/41/27/28/971412728.db2.gz	VETVOMPOHQPBDX-SNVBAGLBSA-N	-1	0	264.281	0.982	20	30		CCEDRM
CC(=O)NCCN(C(=O)CCCCCC#N)[C@@H](C)C(=O)[O-]	ZINC001602752760	971458870	/nfs/dbraw/zinc/45/88/70/971458870.db2.gz	GEFOWSFTZZDGSK-NSHDSACASA-N	-1	0	297.355	0.898	20	30		CCEDRM
CC[C@@](COC)(NC(=O)CSCC#N)C(=O)[O-]	ZINC000328502978	971484788	/nfs/dbraw/zinc/48/47/88/971484788.db2.gz	VYRUOGPXQFZJJA-JTQLQIEISA-N	-1	0	260.315	0.239	20	30		CCEDRM
C[C@](C#N)(CC(=O)[O-])C(=O)NCC1=CCCOC1	ZINC001602781325	971524005	/nfs/dbraw/zinc/52/40/05/971524005.db2.gz	WSYUACNTFDLJOH-GFCCVEGCSA-N	-1	0	252.270	0.454	20	30		CCEDRM
C[C@](C#N)(CC(=O)[O-])C(=O)Nc1nc2cnccn2n1	ZINC001602782599	971529707	/nfs/dbraw/zinc/52/97/07/971529707.db2.gz	WKQVKTPBFUMCLK-LLVKDONJSA-N	-1	0	274.240	0.067	20	30		CCEDRM
N#Cc1ccc(CN2CCOC[C@@H]2C(=O)[O-])c(F)c1	ZINC000088381200	949104561	/nfs/dbraw/zinc/10/45/61/949104561.db2.gz	DCPJGXIKUDKBJX-GFCCVEGCSA-N	-1	0	264.256	0.983	20	30		CCEDRM
C#CCN(CC(=O)[O-])C(=O)c1snnc1C(C)(C)C	ZINC000092477990	949146781	/nfs/dbraw/zinc/14/67/81/949146781.db2.gz	IPQVRNINMSBFBR-UHFFFAOYSA-N	-1	0	281.337	0.996	20	30		CCEDRM
C#CCN(CC(=O)[O-])C(=O)Nc1ccc(C(N)=O)cc1	ZINC000092482994	949157382	/nfs/dbraw/zinc/15/73/82/949157382.db2.gz	YIASNYZSCZTQPA-UHFFFAOYSA-N	-1	0	275.264	0.337	20	30		CCEDRM
C=C(Br)CNC(=O)[C@H]1CC(C(=O)[O-])=NO1	ZINC000230763040	949725002	/nfs/dbraw/zinc/72/50/02/949725002.db2.gz	ICAQZZSHIJLDPB-ZCFIWIBFSA-N	-1	0	277.074	0.241	20	30		CCEDRM
CCCCCCN(O)C(=O)c1cn(CC(=O)[O-])nn1	ZINC001589645622	949730967	/nfs/dbraw/zinc/73/09/67/949730967.db2.gz	KJVXWWAYUQXQNN-UHFFFAOYSA-N	-1	0	270.289	0.774	20	30		CCEDRM
CCN(C[C@H](C)C#N)C(=O)c1cnc(C(=O)[O-])cn1	ZINC001589720937	950420887	/nfs/dbraw/zinc/42/08/87/950420887.db2.gz	YCMPRBFFNUJDEB-MRVPVSSYSA-N	-1	0	262.269	0.797	20	30		CCEDRM
C[C@](O)(CNC(=O)Nc1cccc(CC#N)c1)C(=O)[O-]	ZINC000313409454	950789220	/nfs/dbraw/zinc/78/92/20/950789220.db2.gz	KYILVSIUKFSQPH-ZDUSSCGKSA-N	-1	0	277.280	0.710	20	30		CCEDRM
CC(C)(C)CN(CCC#N)[C@@H]1CCN(CC(=O)[O-])C1=O	ZINC001602867469	971730922	/nfs/dbraw/zinc/73/09/22/971730922.db2.gz	SZCJJAMTYOQKCR-LLVKDONJSA-N	-1	0	281.356	0.934	20	30		CCEDRM
COC[C@@]1(C(=O)[O-])CCN(C(=O)C#Cc2ccccc2)C1	ZINC000386914555	951306477	/nfs/dbraw/zinc/30/64/77/951306477.db2.gz	HWZIDUNIVVBMDM-MRXNPFEDSA-N	-1	0	287.315	0.988	20	30		CCEDRM
N#Cc1ccc(C(=O)N[C@@H](CC2CC2)C(=O)[O-])nc1	ZINC000382322735	971808850	/nfs/dbraw/zinc/80/88/50/971808850.db2.gz	VRQLLOQYXHMSCJ-NSHDSACASA-N	-1	0	259.265	0.936	20	30		CCEDRM
CCc1ncc(CNC(=O)[C@](C)(C#N)CC(=O)[O-])o1	ZINC001593652108	953714651	/nfs/dbraw/zinc/71/46/51/953714651.db2.gz	FVEHVPNNJFNUHJ-LBPRGKRZSA-N	-1	0	265.269	0.858	20	30		CCEDRM
CN(CCC#N)S(=O)(=O)N1CCCC[C@H]1CC(=O)[O-]	ZINC001593728810	954303928	/nfs/dbraw/zinc/30/39/28/954303928.db2.gz	OUPAILXUAJIMIZ-JTQLQIEISA-N	-1	0	289.357	0.406	20	30		CCEDRM
CN(CCS(=O)(=O)CC(=O)[O-])[C@@H]1CCC[C@H]1C#N	ZINC001593754730	954442783	/nfs/dbraw/zinc/44/27/83/954442783.db2.gz	YHYLMRKFJMFNQW-VHSXEESVSA-N	-1	0	274.342	0.110	20	30		CCEDRM
C[NH+]1CCC(O[N-]C(=O)[C@](C)(C#N)CC(=O)[O-])CC1	ZINC001593777687	954609333	/nfs/dbraw/zinc/60/93/33/954609333.db2.gz	FRGRBFNKHYYURC-LBPRGKRZSA-N	-1	0	269.301	0.133	20	30		CCEDRM
CC[C@H](C#N)N(C)C(=O)[C@H]1CCCN(CC(=O)[O-])C1=O	ZINC001589426953	954636410	/nfs/dbraw/zinc/63/64/10/954636410.db2.gz	ULTPQIVPJKVOBH-NXEZZACHSA-N	-1	0	281.312	0.070	20	30		CCEDRM
CC[C@@](C)(C#N)NC(=O)[C@@H]1CCCN(CC(=O)[O-])C1=O	ZINC001589448016	954782601	/nfs/dbraw/zinc/78/26/01/954782601.db2.gz	VIMNQOOZBCOUCI-ZANVPECISA-N	-1	0	281.312	0.118	20	30		CCEDRM
COC(=O)C(C)(C)CCNC(=O)[C@@](C)(C#N)CC(=O)[O-]	ZINC001593804216	954880409	/nfs/dbraw/zinc/88/04/09/954880409.db2.gz	HPTUIVZAWJEKLA-CYBMUJFWSA-N	-1	0	284.312	0.696	20	30		CCEDRM
C#Cc1cccc(NC(=O)N2CC[C@](O)(C(=O)[O-])C2)c1	ZINC000386483943	972057769	/nfs/dbraw/zinc/05/77/69/972057769.db2.gz	QZDYZTVHRMBGBG-CQSZACIVSA-N	-1	0	274.276	0.721	20	30		CCEDRM
COC(=O)CCN(CC(=O)[O-])C(=O)C1(C#N)CC2(CC2)C1	ZINC001593835995	955181137	/nfs/dbraw/zinc/18/11/37/955181137.db2.gz	OHJWBQDJLYRKAN-UHFFFAOYSA-N	-1	0	294.307	0.547	20	30		CCEDRM
C[C@@H](CNC(=O)CNc1ccc(C#N)cn1)C(=O)[O-]	ZINC001589045701	955625394	/nfs/dbraw/zinc/62/53/94/955625394.db2.gz	GEFWAKGEVAMCIA-QMMMGPOBSA-N	-1	0	262.269	0.202	20	30		CCEDRM
CO[C@H](C(=O)[O-])C(=O)Nc1ccc(F)cc1OCC#N	ZINC001593913333	955993240	/nfs/dbraw/zinc/99/32/40/955993240.db2.gz	XAHBBXPJKBUGKS-JTQLQIEISA-N	-1	0	282.227	0.766	20	30		CCEDRM
N#C[C@@H](C(=O)[C@H]1CC[C@@H](C(=O)[O-])C1)C(=O)N1CCCC1	ZINC001594601257	956133100	/nfs/dbraw/zinc/13/31/00/956133100.db2.gz	MBAJDRPCQGEELJ-AXFHLTTASA-N	-1	0	278.308	0.819	20	30		CCEDRM
N#CC[C@H]1CCCN(C(=O)[C@H]2CC(C(=O)[O-])=NO2)C1	ZINC001594605582	956168017	/nfs/dbraw/zinc/16/80/17/956168017.db2.gz	FUQONGAKXFNUIG-PSASIEDQSA-N	-1	0	265.269	0.368	20	30		CCEDRM
N#C[C@@H]1COCCN1C(=O)[C@H]1CO[C@H](CCC(=O)[O-])C1	ZINC001594606096	956176999	/nfs/dbraw/zinc/17/69/99/956176999.db2.gz	QCPTTYFGIYBHKW-GMTAPVOTSA-N	-1	0	282.296	0.007	20	30		CCEDRM
N#CC[C@@]1(O)CCN(C(=O)NC[C@H](C(=O)[O-])C2CCC2)C1	ZINC001594606603	956184581	/nfs/dbraw/zinc/18/45/81/956184581.db2.gz	WXGHVYDLCZNGTF-SMDDNHRTSA-N	-1	0	295.339	0.547	20	30		CCEDRM
CO[C@@H]([C@@H](C)NC(=O)[C@@](C)(C#N)CC(=O)[O-])C1CC1	ZINC001593938417	956247706	/nfs/dbraw/zinc/24/77/06/956247706.db2.gz	MZRDFJFECUHXPK-YDEJPDAXSA-N	-1	0	268.313	0.921	20	30		CCEDRM
N#Cc1ccc([C@@H](O)C(=O)N2CC(C(=O)[O-])C2)cc1	ZINC001594617910	956256342	/nfs/dbraw/zinc/25/63/42/956256342.db2.gz	QYJMCCWETVNHOW-LLVKDONJSA-N	-1	0	260.249	0.135	20	30		CCEDRM
N#Cc1ccc(C[C@@H](C#N)C(=O)OCC(=O)C(=O)[O-])cc1	ZINC001594618183	956262333	/nfs/dbraw/zinc/26/23/33/956262333.db2.gz	HPQQSAJVTSBDCS-NSHDSACASA-N	-1	0	286.243	0.437	20	30		CCEDRM
C[C@](O)(CNC(=O)c1cc(C#N)ccc1Cl)C(=O)[O-]	ZINC001589143628	956270649	/nfs/dbraw/zinc/27/06/49/956270649.db2.gz	CEEWRLRJZPWZOD-LBPRGKRZSA-N	-1	0	282.683	0.777	20	30		CCEDRM
N#Cc1ccccc1/C=C\C(=O)NCCOCC(=O)[O-]	ZINC001594628649	956335421	/nfs/dbraw/zinc/33/54/21/956335421.db2.gz	HYXQKFIHLDHGTF-WAYWQWQTSA-N	-1	0	274.276	0.789	20	30		CCEDRM
N#Cc1ccccc1NC(=S)NCCOCC(=O)[O-]	ZINC001594632173	956349909	/nfs/dbraw/zinc/34/99/09/956349909.db2.gz	SFTPPQLSJQUGJB-UHFFFAOYSA-N	-1	0	279.321	0.946	20	30		CCEDRM
N#Cc1nc(C2CC2)oc1N1CCN(C(=O)C(=O)[O-])CC1	ZINC001594634334	956361505	/nfs/dbraw/zinc/36/15/05/956361505.db2.gz	IDOGSHBALUMKTJ-UHFFFAOYSA-N	-1	0	290.279	0.157	20	30		CCEDRM
N#Cc1csc(C(=O)N2C[C@H]3COC[C@@]3(C(=O)[O-])C2)c1	ZINC001594635197	956368294	/nfs/dbraw/zinc/36/82/94/956368294.db2.gz	XMDNAONALXUXAB-ZANVPECISA-N	-1	0	292.316	0.793	20	30		CCEDRM
COC[C@](C)(C#N)NC(=O)[C@@H]1CC[C@H](C(=O)[O-])C1	ZINC001593952440	956406466	/nfs/dbraw/zinc/40/64/66/956406466.db2.gz	WUILNUGVTHZVFJ-PTRXPTGYSA-N	-1	0	254.286	0.532	20	30		CCEDRM
COC[C@]1(C(=O)[O-])CCN(C(=O)CC2(C#N)CC2)C1	ZINC001593961736	956491370	/nfs/dbraw/zinc/49/13/70/956491370.db2.gz	OBBQOARFHYYHRR-ZDUSSCGKSA-N	-1	0	266.297	0.630	20	30		CCEDRM
COC[C@]1(C(=O)[O-])CCN(C(=O)NCC2(C#N)CC2)C1	ZINC001593963149	956512367	/nfs/dbraw/zinc/51/23/67/956512367.db2.gz	IKGHJJDRMSGLFV-ZDUSSCGKSA-N	-1	0	281.312	0.423	20	30		CCEDRM
CC1(C)C[C@@]1(C#N)NC(=O)c1cnc(C(=O)[O-])cn1	ZINC001589210855	956684023	/nfs/dbraw/zinc/68/40/23/956684023.db2.gz	CTRPWJURHQAQLK-LBPRGKRZSA-N	-1	0	260.253	0.597	20	30		CCEDRM
C[C@@H](CC(=O)[O-])NS(=O)(=O)c1ccccc1CC#N	ZINC001603133543	972223961	/nfs/dbraw/zinc/22/39/61/972223961.db2.gz	RJBIWTBVQRADLJ-VIFPVBQESA-N	-1	0	282.321	0.894	20	30		CCEDRM
COCCN(CCC(=O)[O-])C(=O)c1cc(C)c(C#N)cn1	ZINC001594006562	956976457	/nfs/dbraw/zinc/97/64/57/956976457.db2.gz	AOMJUWCUVNGECD-UHFFFAOYSA-N	-1	0	291.307	0.825	20	30		CCEDRM
N#Cc1ccc(F)cc1CN1CCNC(=O)[C@H]1CC(=O)[O-]	ZINC000069401877	957651619	/nfs/dbraw/zinc/65/16/19/957651619.db2.gz	XYBUNCVISFARNW-GFCCVEGCSA-N	-1	0	291.282	0.472	20	30		CCEDRM
CON(C(=O)C#Cc1ccc2c(c1)OCO2)[C@@H](C)C(=O)[O-]	ZINC001594032824	957775706	/nfs/dbraw/zinc/77/57/06/957775706.db2.gz	HSEZMIGTJBAAFP-VIFPVBQESA-N	-1	0	291.259	0.630	20	30		CCEDRM
C#C[C@@H](NC(=O)[C@@H]1CC[C@H]1C(=O)[O-])C1CCOCC1	ZINC001588386088	957976972	/nfs/dbraw/zinc/97/69/72/957976972.db2.gz	NTTCUBWPQAVDIV-IJLUTSLNSA-N	-1	0	265.309	0.642	20	30		CCEDRM
C#C[C@@H](NC(=O)[C@@H]1CC(C(=O)[O-])=NO1)c1ccccc1	ZINC001588387367	957987258	/nfs/dbraw/zinc/98/72/58/957987258.db2.gz	HUSFSEBLGILNFR-PWSUYJOCSA-N	-1	0	272.260	0.707	20	30		CCEDRM
C#CC1CCN(C(=O)C(=O)N(C)C[C@H](C)C(=O)[O-])CC1	ZINC001588389091	958004219	/nfs/dbraw/zinc/00/42/19/958004219.db2.gz	MOPNWIZVNYRWBD-JTQLQIEISA-N	-1	0	280.324	0.037	20	30		CCEDRM
C#CC[C@H](CCOC)NC(=O)NC[C@@H](C)C(=O)[O-]	ZINC001588389491	958009369	/nfs/dbraw/zinc/00/93/69/958009369.db2.gz	VSBZITUNKFPUNA-NXEZZACHSA-N	-1	0	256.302	0.435	20	30		CCEDRM
C#CCCCCCn1c(=O)c(C#N)cn(CC(=O)[O-])c1=O	ZINC001588390870	958015648	/nfs/dbraw/zinc/01/56/48/958015648.db2.gz	PMORXBYOSYAYJB-UHFFFAOYSA-N	-1	0	289.291	0.160	20	30		CCEDRM
C#CCCN1CCN(C(=O)[C@@H](C(=O)[O-])C2CC2)CC1	ZINC001588390872	958015890	/nfs/dbraw/zinc/01/58/90/958015890.db2.gz	PNXLIAOIVJPMIA-LBPRGKRZSA-N	-1	0	264.325	0.265	20	30		CCEDRM
C#CCC[C@@H](O)CNC(=O)NCC1(C(=O)[O-])CCC1	ZINC001588391545	958024319	/nfs/dbraw/zinc/02/43/19/958024319.db2.gz	JEVAPRWUOILHFK-SNVBAGLBSA-N	-1	0	268.313	0.315	20	30		CCEDRM
C#CCCCCC(=O)N(CCNC(C)=O)[C@H](C)C(=O)[O-]	ZINC001588392328	958032798	/nfs/dbraw/zinc/03/27/98/958032798.db2.gz	XHPMDOJTFVBGQU-LLVKDONJSA-N	-1	0	282.340	0.618	20	30		CCEDRM
C#CCN(CC(=O)[O-])C(=O)C(=O)Nc1cccc(F)c1F	ZINC001588394426	958034268	/nfs/dbraw/zinc/03/42/68/958034268.db2.gz	CORRHVUEKIYUST-UHFFFAOYSA-N	-1	0	296.229	0.450	20	30		CCEDRM
C#CCN(CC(=O)[O-])C(=O)[C@H]1CCCN(C(=O)CCC)C1	ZINC001588398710	958068499	/nfs/dbraw/zinc/06/84/99/958068499.db2.gz	BSIUIEVHPSMURR-LBPRGKRZSA-N	-1	0	294.351	0.572	20	30		CCEDRM
C#CCN(CC(=O)[O-])C(=O)[C@@H]1Cc2ccccc2C(=O)O1	ZINC001588398889	958070205	/nfs/dbraw/zinc/07/02/05/958070205.db2.gz	DIUMEIPUJXLWFY-LBPRGKRZSA-N	-1	0	287.271	0.315	20	30		CCEDRM
C#CCN(CC(=O)[O-])C(=O)[C@H]1c2c[nH]nc2CC[C@@H]1C	ZINC001588400193	958079041	/nfs/dbraw/zinc/07/90/41/958079041.db2.gz	SNFBFVFVHMTAKT-TVQRCGJNSA-N	-1	0	275.308	0.622	20	30		CCEDRM
C#CCN(CC(=O)[O-])C(=O)COc1ccc(F)c(F)c1	ZINC001588407217	958098119	/nfs/dbraw/zinc/09/81/19/958098119.db2.gz	JJDHCQVECGNJIG-UHFFFAOYSA-N	-1	0	283.230	0.890	20	30		CCEDRM
C#CCN(CC(=O)[O-])C(=O)Cc1ccnc(F)c1	ZINC001588407800	958103664	/nfs/dbraw/zinc/10/36/64/958103664.db2.gz	VQJOJEIBKNTXMT-UHFFFAOYSA-N	-1	0	250.229	0.310	20	30		CCEDRM
C#CCN(CC(=O)[O-])C(=O)N[C@@H](C)c1nnc2n1CCC2	ZINC001588409923	958133516	/nfs/dbraw/zinc/13/35/16/958133516.db2.gz	MMGXGBFFGBDVMF-VIFPVBQESA-N	-1	0	291.311	0.015	20	30		CCEDRM
C#CCN(CC(=O)[O-])C(=O)N[C@@H]1CCO[C@@H](CC)C1	ZINC001588409930	958134207	/nfs/dbraw/zinc/13/42/07/958134207.db2.gz	MNEIWQFSBDGTQF-MNOVXSKESA-N	-1	0	268.313	0.673	20	30		CCEDRM
C#CCN(CC(=O)[O-])C(=O)c1cnc(NCC=C)s1	ZINC001588418723	958184976	/nfs/dbraw/zinc/18/49/76/958184976.db2.gz	PUJQKJLFIDVJPW-UHFFFAOYSA-N	-1	0	279.321	0.901	20	30		CCEDRM
C#CCN(CC(=O)[O-])C[C@@H](O)COc1ccccc1F	ZINC001588423774	958207778	/nfs/dbraw/zinc/20/77/78/958207778.db2.gz	FWELFSHDFXKYRR-LLVKDONJSA-N	-1	0	281.283	0.585	20	30		CCEDRM
C#CCN(CC(=O)[O-])Cc1nnc(-c2cccc(O)c2)o1	ZINC001588425471	958225839	/nfs/dbraw/zinc/22/58/39/958225839.db2.gz	UCHCUBRWARWYJP-UHFFFAOYSA-N	-1	0	287.275	0.962	20	30		CCEDRM
N#Cc1cccc(NC(=O)NCCOCC(=O)[O-])c1	ZINC000093228344	958238364	/nfs/dbraw/zinc/23/83/64/958238364.db2.gz	GVGJHZUFZCXFGG-UHFFFAOYSA-N	-1	0	263.253	0.781	20	30		CCEDRM
N#Cc1cccc(CNC(=O)NCCOCC(=O)[O-])c1	ZINC000093230028	958240746	/nfs/dbraw/zinc/24/07/46/958240746.db2.gz	LSKJUNJYWAJHSB-UHFFFAOYSA-N	-1	0	277.280	0.459	20	30		CCEDRM
C#CCN(CC(=O)[O-])c1nnc([C@H](O)CC(C)C)n1C	ZINC001588427332	958244344	/nfs/dbraw/zinc/24/43/44/958244344.db2.gz	ULJQLXNYDRCGJX-SNVBAGLBSA-N	-1	0	280.328	0.419	20	30		CCEDRM
C#CC[N@H+]1CCC[C@H]1COC(=O)[C@H]1CC[C@H]1C(=O)[O-]	ZINC001588430110	958253777	/nfs/dbraw/zinc/25/37/77/958253777.db2.gz	IECGFAHHCAUIAG-TUAOUCFPSA-N	-1	0	265.309	0.738	20	30		CCEDRM
C#CCNC(=O)[C@@H](C)OC(=O)C1(C(=O)[O-])CC=CC1	ZINC001588430106	958253978	/nfs/dbraw/zinc/25/39/78/958253978.db2.gz	HXAURSMVKSINHL-SECBINFHSA-N	-1	0	265.265	0.089	20	30		CCEDRM
C#CCOCCC(=O)N1CC[C@@H](C)[C@@H](C(=O)[O-])C1	ZINC001588430670	958259999	/nfs/dbraw/zinc/25/99/99/958259999.db2.gz	FQWVEGSLTCUCQT-MNOVXSKESA-N	-1	0	253.298	0.596	20	30		CCEDRM
C#CCN(CCc1nc(C(C)=O)c(C)[nH]1)CC(=O)[O-]	ZINC001588432514	958285306	/nfs/dbraw/zinc/28/53/06/958285306.db2.gz	ZTAPZESWYQARHY-UHFFFAOYSA-N	-1	0	263.297	0.483	20	30		CCEDRM
C#Cc1ccc(COC(=O)c2cnc(C(=O)[O-])cn2)nc1	ZINC001588438878	958306346	/nfs/dbraw/zinc/30/63/46/958306346.db2.gz	GNZDYSXWXWLFKH-UHFFFAOYSA-N	-1	0	283.243	0.908	20	30		CCEDRM
Cc1ccc(C(=O)/C=C/C(=O)NC[C@](C)(O)C(=O)[O-])cc1	ZINC001594343173	958313909	/nfs/dbraw/zinc/31/39/09/958313909.db2.gz	RRAHDVWTNBQLOB-KIUWMYQTSA-N	-1	0	291.303	0.686	20	30		CCEDRM
C=C(C)CN(C)C(=O)C(=O)N1CC[C@@H](C)[C@H](C(=O)[O-])C1	ZINC001588442702	958347909	/nfs/dbraw/zinc/34/79/09/958347909.db2.gz	VJOHDLYUUJVSBG-GHMZBOCLSA-N	-1	0	282.340	0.590	20	30		CCEDRM
C=C(C)Cn1c(CO)nnc1N1C[C@@H](C)C[C@H](C(=O)[O-])C1	ZINC001588442861	958347946	/nfs/dbraw/zinc/34/79/46/958347946.db2.gz	LBOAMUHOUCLKKP-QWRGUYRKSA-N	-1	0	294.355	0.894	20	30		CCEDRM
C=C(CC(C)C)C(=O)N1CCS(=O)(=O)C[C@H]1C(=O)[O-]	ZINC001588444460	958360497	/nfs/dbraw/zinc/36/04/97/958360497.db2.gz	CZESTGPWWJAZTF-JTQLQIEISA-N	-1	0	289.353	0.299	20	30		CCEDRM
C=C[C@@](C)(O)C(=O)Nc1ccc(O)c(C(=O)[O-])c1	ZINC001588450721	958399046	/nfs/dbraw/zinc/39/90/46/958399046.db2.gz	AMJWZWMKOASWEV-GFCCVEGCSA-N	-1	0	251.238	0.966	20	30		CCEDRM
C=CC[C@@H](C)NC(=O)N[C@@H]1CCCCN(CC(=O)[O-])C1=O	ZINC001588452764	958427059	/nfs/dbraw/zinc/42/70/59/958427059.db2.gz	JLQSHBXZEICELO-GHMZBOCLSA-N	-1	0	297.355	0.716	20	30		CCEDRM
C=CCCCS(=O)(=O)N(CCC(=O)OC)CC(=O)[O-]	ZINC001588459751	958469018	/nfs/dbraw/zinc/46/90/18/958469018.db2.gz	BRHSEOGUHPIWFG-UHFFFAOYSA-N	-1	0	293.341	0.232	20	30		CCEDRM
C#CCN(CC(=O)[O-])C(=O)c1cnc2c[nH]nc2c1	ZINC001573319940	958474926	/nfs/dbraw/zinc/47/49/26/958474926.db2.gz	GWTVNVJTBNNCMS-UHFFFAOYSA-N	-1	0	258.237	0.118	20	30		CCEDRM
C=CCCOCCNC(=O)[C@H]1CO[C@@H](CCC(=O)[O-])C1	ZINC001588460482	958476698	/nfs/dbraw/zinc/47/66/98/958476698.db2.gz	KEGHZBIMZDZYOJ-NEPJUHHUSA-N	-1	0	285.340	0.965	20	30		CCEDRM
C=CCCOCCNC(=O)[C@@](C)(C#N)CC(=O)[O-]	ZINC001588460768	958479402	/nfs/dbraw/zinc/47/94/02/958479402.db2.gz	WIOGIGVXGWUQNC-GFCCVEGCSA-N	-1	0	254.286	0.700	20	30		CCEDRM
C=CCN(CN1C[C@@H](C(=O)[O-])CC1=O)[C@@H](C)COC	ZINC001588464432	958491369	/nfs/dbraw/zinc/49/13/69/958491369.db2.gz	QPDMUGVMSWRILY-QWRGUYRKSA-N	-1	0	270.329	0.400	20	30		CCEDRM
C=CCOC[C@@H](NC1CC(C(=O)[O-])C1)C(=O)OC	ZINC001588465000	958494742	/nfs/dbraw/zinc/49/47/42/958494742.db2.gz	ATXZNYHFRFIUET-UDNWOFFPSA-N	-1	0	257.286	0.183	20	30		CCEDRM
C=CCCC[C@H](NC(=O)[C@](C)(OC)C(=O)[O-])C(=O)OC	ZINC001573328141	958496158	/nfs/dbraw/zinc/49/61/58/958496158.db2.gz	BRVVLPMSUUHJCY-ZANVPECISA-N	-1	0	287.312	0.490	20	30		CCEDRM
C=CCNC(=O)[C@@H](C#N)C(=O)Cc1ccccc1C(=O)[O-]	ZINC001588465352	958502021	/nfs/dbraw/zinc/50/20/21/958502021.db2.gz	DOJHWUJIWXFRSJ-LBPRGKRZSA-N	-1	0	286.287	0.938	20	30		CCEDRM
C=CCNC(=O)CNC(=O)c1coc(/C=C/C(=O)[O-])c1	ZINC001588465552	958504880	/nfs/dbraw/zinc/50/48/80/958504880.db2.gz	SHRXNBZLJVIBRV-ONEGZZNKSA-N	-1	0	278.264	0.409	20	30		CCEDRM
C=CCOCc1nnc(N2CC[C@@](C)(C(=O)[O-])C2)n1C	ZINC001588466427	958512296	/nfs/dbraw/zinc/51/22/96/958512296.db2.gz	PFELUQVYUDWHMZ-CYBMUJFWSA-N	-1	0	280.328	0.819	20	30		CCEDRM
C=C[C@@H]1OCCC[C@H]1NC(=O)c1cc(C(=O)[O-])n[nH]1	ZINC001573337965	958526685	/nfs/dbraw/zinc/52/66/85/958526685.db2.gz	ZWBFWMSEQOCVAL-XCBNKYQSSA-N	-1	0	265.269	0.571	20	30		CCEDRM
C=CCn1cc(C(=O)Nc2cccnc2C(=O)[O-])nn1	ZINC001588474352	958554730	/nfs/dbraw/zinc/55/47/30/958554730.db2.gz	HROWBBFDTRYXEG-UHFFFAOYSA-N	-1	0	273.252	0.810	20	30		CCEDRM
CC#CCn1nnnc1N1C[C@H](C)C[C@H](C(=O)[O-])C1	ZINC001588480255	958585751	/nfs/dbraw/zinc/58/57/51/958585751.db2.gz	MZRJQASITMESNU-ZJUUUORDSA-N	-1	0	263.301	0.243	20	30		CCEDRM
C[C@H](C(=O)Nc1ncccc1C(=O)[O-])n1cnc(C#N)n1	ZINC001573363173	958605059	/nfs/dbraw/zinc/60/50/59/958605059.db2.gz	JWVADDITHVRESA-SSDOTTSWSA-N	-1	0	286.251	0.443	20	30		CCEDRM
N#Cc1ccc(C(=O)N2CCOC[C@@H]2CC(=O)[O-])nc1	ZINC000129368880	958700656	/nfs/dbraw/zinc/70/06/56/958700656.db2.gz	HCELOSQUOFJLJU-JTQLQIEISA-N	-1	0	275.264	0.269	20	30		CCEDRM
CC(=O)NCCN(C(=O)CCCC#N)[C@H](C)C(=O)[O-]	ZINC001588506857	958733912	/nfs/dbraw/zinc/73/39/12/958733912.db2.gz	STOPBUZZPKEMFQ-SECBINFHSA-N	-1	0	269.301	0.118	20	30		CCEDRM
C#CC[C@H](NC(=O)[C@@H](C)Oc1ccc(C#N)cc1)C(=O)[O-]	ZINC000149803556	959027147	/nfs/dbraw/zinc/02/71/47/959027147.db2.gz	LVYPIEAUZPEPNP-MFKMUULPSA-N	-1	0	286.287	0.918	20	30		CCEDRM
C[C@H](C(=O)NC[C@@H](C(=O)[O-])C1CCC1)n1cnc(C#N)n1	ZINC001588554685	959048049	/nfs/dbraw/zinc/04/80/49/959048049.db2.gz	UCWDLORRAQDYJD-PSASIEDQSA-N	-1	0	291.311	0.328	20	30		CCEDRM
C[C@@](C#N)(CC(=O)[O-])C(=O)NCCc1cnoc1	ZINC001588557283	959065591	/nfs/dbraw/zinc/06/55/91/959065591.db2.gz	IUMDIHPTLQLVIO-NSHDSACASA-N	-1	0	251.242	0.338	20	30		CCEDRM
N#CCCNS(=O)(=O)c1ccc(C2(C(=O)[O-])CC2)cc1	ZINC000158995689	959102943	/nfs/dbraw/zinc/10/29/43/959102943.db2.gz	VQPUGUGQKFBVMJ-UHFFFAOYSA-N	-1	0	294.332	0.995	20	30		CCEDRM
C#CC[C@@H](NS(=O)(=O)c1ccc(C(C)=O)cc1)C(=O)[O-]	ZINC000159571067	959118743	/nfs/dbraw/zinc/11/87/43/959118743.db2.gz	GQWYIJGQVIPACG-GFCCVEGCSA-N	-1	0	295.316	0.644	20	30		CCEDRM
Cc1cc(C#N)cc(N2CCO[C@@H](CC(=O)[O-])C2)n1	ZINC000160893103	959162387	/nfs/dbraw/zinc/16/23/87/959162387.db2.gz	HKFHLTHSUWFOKQ-NSHDSACASA-N	-1	0	261.281	0.942	20	30		CCEDRM
C[C@H](C(=O)[O-])N(C1CC1)S(=O)(=O)CC1(CC#N)CC1	ZINC001588591324	959343592	/nfs/dbraw/zinc/34/35/92/959343592.db2.gz	NGUIJLJWYGSVIZ-SECBINFHSA-N	-1	0	286.353	0.948	20	30		CCEDRM
Cc1nc(C)c(CNC(=O)[C@](C)(C#N)CC(=O)[O-])o1	ZINC001594450223	959364500	/nfs/dbraw/zinc/36/45/00/959364500.db2.gz	DXLGMXDASDLGQN-LBPRGKRZSA-N	-1	0	265.269	0.912	20	30		CCEDRM
Cc1nnc(CN(C)C(=O)[C@](C)(C#N)CC(=O)[O-])s1	ZINC001594490960	959705311	/nfs/dbraw/zinc/70/53/11/959705311.db2.gz	CRQYXKRIERLPRC-NSHDSACASA-N	-1	0	282.325	0.810	20	30		CCEDRM
CC(C)N(CCC#N)C(=O)[C@H]1CC[C@@H](C(=O)[O-])O1	ZINC000222456874	959815776	/nfs/dbraw/zinc/81/57/76/959815776.db2.gz	UNGSTVQJUGVCPG-ZJUUUORDSA-N	-1	0	254.286	0.769	20	30		CCEDRM
C[C@@H](OC(=O)[C@@](C)(C#N)CC(=O)[O-])C(=O)C1CCOCC1	ZINC001603268919	972471649	/nfs/dbraw/zinc/47/16/49/972471649.db2.gz	PXMJIBRZHZHMBO-YMTOWFKASA-N	-1	0	297.307	0.918	20	30		CCEDRM
N#Cc1ccsc1NC(=O)CN1C[C@@H](O)C[C@H]1C(=O)[O-]	ZINC000229087957	960057537	/nfs/dbraw/zinc/05/75/37/960057537.db2.gz	HMTNKTHJMDWGNI-IUCAKERBSA-N	-1	0	295.320	0.078	20	30		CCEDRM
C[C@]1(C(=O)[O-])CCN(S(=O)(=O)c2cccnc2C#N)C1	ZINC000235700120	960481048	/nfs/dbraw/zinc/48/10/48/960481048.db2.gz	FVSSQJHXPYVGRI-LBPRGKRZSA-N	-1	0	295.320	0.439	20	30		CCEDRM
N#Cc1ccc(CNCc2cn(CC(=O)[O-])nn2)cc1F	ZINC001571034980	960516555	/nfs/dbraw/zinc/51/65/55/960516555.db2.gz	FGSJLBLPDCIXRE-UHFFFAOYSA-N	-1	0	289.270	0.663	20	30		CCEDRM
COc1ncc(NC(=O)N[C@H]2C[C@@H](C(=O)[O-])C2)cc1C#N	ZINC001571035995	960532620	/nfs/dbraw/zinc/53/26/20/960532620.db2.gz	KVTOEXNJDLRZOM-OTSSQURYSA-N	-1	0	290.279	0.947	20	30		CCEDRM
N#Cc1cccc(C(=O)NC[C@@H](C(=O)[O-])[C@@H]2CCOC2)n1	ZINC001571036243	960536342	/nfs/dbraw/zinc/53/63/42/960536342.db2.gz	WUMVJYNBSWGQEL-MWLCHTKSSA-N	-1	0	289.291	0.420	20	30		CCEDRM
C[C@@]1(NC(=O)N2CCC(C#N)(C(=O)[O-])CC2)CCOC1=O	ZINC001571055501	960717534	/nfs/dbraw/zinc/71/75/34/960717534.db2.gz	YHFMSVYGLHZYIA-GFCCVEGCSA-N	-1	0	295.295	0.092	20	30		CCEDRM
CC(C)(CC#N)CNC(=O)C(=O)N[C@H]1CC[C@@H](C(=O)[O-])C1	ZINC001588754811	961217908	/nfs/dbraw/zinc/21/79/08/961217908.db2.gz	NPQZFDZFJAPYED-ZJUUUORDSA-N	-1	0	295.339	0.412	20	30		CCEDRM
Cc1onc(CC(=O)N[C@H]2CCC[C@H]2C(=O)[O-])c1C#N	ZINC001574445881	961445065	/nfs/dbraw/zinc/44/50/65/961445065.db2.gz	AKTYZMISTVVMQF-SCZZXKLOSA-N	-1	0	277.280	0.767	20	30		CCEDRM
N#Cc1cc(C(=O)N2C[C@H]3COC[C@@]3(C(=O)[O-])C2)cs1	ZINC001574479626	961652196	/nfs/dbraw/zinc/65/21/96/961652196.db2.gz	MJKHIAHEGIOYBB-ZANVPECISA-N	-1	0	292.316	0.793	20	30		CCEDRM
N#CCCN(CCC#N)C(=O)[C@@H]1CO[C@H](CCC(=O)[O-])C1	ZINC001574480259	961659882	/nfs/dbraw/zinc/65/98/82/961659882.db2.gz	CUVHFXGNMXPEOL-NWDGAFQWSA-N	-1	0	293.323	0.912	20	30		CCEDRM
N#C[C@H]1CCC[C@@H](OC(=O)c2cn(CC(=O)[O-])nn2)C1	ZINC001574481343	961674598	/nfs/dbraw/zinc/67/45/98/961674598.db2.gz	ZNXPKGHVKSJNIY-DTWKUNHWSA-N	-1	0	278.268	0.602	20	30		CCEDRM
N#Cc1ncc(N[C@H]2CCC[C@H]2C(=O)[O-])nc1C#N	ZINC001574493420	961719295	/nfs/dbraw/zinc/71/92/95/961719295.db2.gz	LHVQMGHASDJXCX-SFYZADRCSA-N	-1	0	257.253	0.885	20	30		CCEDRM
COc1ncc(NC(=O)NC[C@H](C)C(=O)[O-])cc1C#N	ZINC001574053856	962158676	/nfs/dbraw/zinc/15/86/76/962158676.db2.gz	GRLYHJGVZODRCS-ZETCQYMHSA-N	-1	0	278.268	0.804	20	30		CCEDRM
COC(=O)CN(CC#N)C(=O)c1coc(/C=C\C(=O)[O-])c1	ZINC001574066022	962232125	/nfs/dbraw/zinc/23/21/25/962232125.db2.gz	IVPZDEOTHDJSJO-IHWYPQMZSA-N	-1	0	292.247	0.516	20	30		CCEDRM
CC(C)OC(=O)COC(=O)[C@](C)(C#N)CC(=O)[O-]	ZINC001588927710	962433995	/nfs/dbraw/zinc/43/39/95/962433995.db2.gz	CIPNFSLLJLEWET-NSHDSACASA-N	-1	0	257.242	0.486	20	30		CCEDRM
C[C@@H](CC#N)NC(=O)C(=O)Nc1cccc(C(=O)[O-])c1	ZINC001588988260	962776411	/nfs/dbraw/zinc/77/64/11/962776411.db2.gz	YHQVLCLPPFXZRV-QMMMGPOBSA-N	-1	0	275.264	0.742	20	30		CCEDRM
C=C(Cl)C[C@H](NC(=O)COCC(=O)[O-])C(=O)OCC	ZINC001573329689	962812925	/nfs/dbraw/zinc/81/29/25/962812925.db2.gz	KFYTULZLMMKYTK-QMMMGPOBSA-N	-1	0	293.703	0.278	20	30		CCEDRM
C=C(CCC(=O)[O-])C(=O)N1CCN(C(C)=O)C[C@@H]1C	ZINC001573331779	962816729	/nfs/dbraw/zinc/81/67/29/962816729.db2.gz	ANHAZTOCIWQTEO-JTQLQIEISA-N	-1	0	268.313	0.487	20	30		CCEDRM
C=C(CCC(=O)[O-])C(=O)N1CCC(NC(N)=O)CC1	ZINC001573332031	962823046	/nfs/dbraw/zinc/82/30/46/962823046.db2.gz	GWZGCCNKOCTMPE-UHFFFAOYSA-N	-1	0	269.301	0.067	20	30		CCEDRM
C=C(CCC(=O)[O-])C(=O)N[C@H]1CCn2ccnc2C1	ZINC001573332105	962824704	/nfs/dbraw/zinc/82/47/04/962824704.db2.gz	DLNMZHTUKVETEV-JTQLQIEISA-N	-1	0	263.297	0.735	20	30		CCEDRM
C=C(CCC(=O)[O-])C(=O)N[C@H]1CCc2cncn2C1	ZINC001573332471	962835666	/nfs/dbraw/zinc/83/56/66/962835666.db2.gz	JZPHVNJVVZCJNN-JTQLQIEISA-N	-1	0	263.297	0.735	20	30		CCEDRM
C=C(CCC(=O)[O-])C(=O)N[C@@H](C)[C@H](O)C(F)(F)F	ZINC001573332724	962840745	/nfs/dbraw/zinc/84/07/45/962840745.db2.gz	QVXPXQISMYEUEX-XPUUQOCRSA-N	-1	0	269.219	0.835	20	30		CCEDRM
C=C(CO)C(=O)N[C@]1(C(=O)[O-])C[C@@H](OCC)C1(C)C	ZINC001573340028	962899262	/nfs/dbraw/zinc/89/92/62/962899262.db2.gz	ZWOFJQMUQFZENY-RNCFNFMXSA-N	-1	0	271.313	0.310	20	30		CCEDRM
C=C1CC(C)(C(=O)NCC2(NC(=O)CNC(=O)[O-])CC2)C1	ZINC001573344460	962920367	/nfs/dbraw/zinc/92/03/67/962920367.db2.gz	ZXIDMNDNHPSGGX-UHFFFAOYSA-N	-1	0	295.339	0.375	20	30		CCEDRM
C=C[C@H](O)C(=O)N[C@H](C(=O)[O-])c1cc(F)ccc1F	ZINC001573346467	962939536	/nfs/dbraw/zinc/93/95/36/962939536.db2.gz	ANJIGHBLIAOENU-UWVGGRQHSA-N	-1	0	271.219	0.754	20	30		CCEDRM
C=CCCC(=O)NC/C=C\CNC(=O)CNC(=O)[O-]	ZINC001573353552	963004030	/nfs/dbraw/zinc/00/40/30/963004030.db2.gz	YRAQQWBIWWHLDF-PLNGDYQASA-N	-1	0	269.301	0.009	20	30		CCEDRM
C#C[C@H](NS(=O)(=O)c1ccc(C(=O)[O-])o1)C(C)C	ZINC000302255659	963067406	/nfs/dbraw/zinc/06/74/06/963067406.db2.gz	AXFDBGKDUYABQV-QMMMGPOBSA-N	-1	0	271.294	0.914	20	30		CCEDRM
N#Cc1csc(CNC(=O)c2cc(C(=O)[O-])on2)n1	ZINC001571007876	963253604	/nfs/dbraw/zinc/25/36/04/963253604.db2.gz	AWKVTUDXFXRVFW-UHFFFAOYSA-N	-1	0	278.249	0.631	20	30		CCEDRM
CCn1nc(C)c(CN2CCC(C#N)(C(=O)[O-])CC2)n1	ZINC001571008558	963262465	/nfs/dbraw/zinc/26/24/65/963262465.db2.gz	KMNJQCKMYNVELJ-UHFFFAOYSA-N	-1	0	277.328	0.797	20	30		CCEDRM
N#CCc1ccc(S(=O)(=O)NC2(C(=O)[O-])CC2)cc1	ZINC000311246159	963471068	/nfs/dbraw/zinc/47/10/68/963471068.db2.gz	SRZAHTYCSUFATG-UHFFFAOYSA-N	-1	0	280.305	0.648	20	30		CCEDRM
CC(C)(CC#N)CNC(=O)[C@H]1CC[C@@H](C(=O)[O-])O1	ZINC000315915281	963952287	/nfs/dbraw/zinc/95/22/87/963952287.db2.gz	FRSIZICIXWORKJ-BDAKNGLRSA-N	-1	0	254.286	0.675	20	30		CCEDRM
C#CCCCC(=O)N1CC[C@H](C(=O)OC)C[C@@H]1C(=O)[O-]	ZINC001588435425	964022124	/nfs/dbraw/zinc/02/21/24/964022124.db2.gz	PPWOGIORPXHLQP-WDEREUQCSA-N	-1	0	281.308	0.655	20	30		CCEDRM
C#CCCCCC(=O)N[C@H](C(=O)[O-])c1ccn(C)n1	ZINC001588439937	964031971	/nfs/dbraw/zinc/03/19/71/964031971.db2.gz	IROFSPFHBWYVLV-LBPRGKRZSA-N	-1	0	263.297	0.856	20	30		CCEDRM
C#CCCCN1C(=O)N[C@@](C)(CCC(=O)[O-])C1=O	ZINC001588446617	964076115	/nfs/dbraw/zinc/07/61/15/964076115.db2.gz	SUYQFTJDLILCTR-LBPRGKRZSA-N	-1	0	252.270	0.575	20	30		CCEDRM
C#CCCCNC(=O)N1CCSC[C@@H](C(=O)[O-])C1	ZINC001588446712	964077077	/nfs/dbraw/zinc/07/70/77/964077077.db2.gz	WQDLRNTZMAPYDN-JTQLQIEISA-N	-1	0	270.354	0.859	20	30		CCEDRM
Cc1nc(C(=O)N2CCO[C@H](C(=O)[O-])C2)ccc1C#N	ZINC000049871586	967533466	/nfs/dbraw/zinc/53/34/66/967533466.db2.gz	KLDNZUGLGPNMLM-NSHDSACASA-N	-1	0	275.264	0.187	20	30		CCEDRM
C#CCN(CC(=O)[O-])C(=O)CC1CC(OCC)C1	ZINC000232153864	967741546	/nfs/dbraw/zinc/74/15/46/967741546.db2.gz	FXTAHKUGEUKFNQ-UHFFFAOYSA-N	-1	0	253.298	0.738	20	30		CCEDRM
C=CCCc1ccccc1NC(=O)C(=O)NCC(=O)[O-]	ZINC001609626238	970427113	/nfs/dbraw/zinc/42/71/13/970427113.db2.gz	KZKIWTSFDZSJCI-UHFFFAOYSA-N	-1	0	276.292	0.945	20	30		CCEDRM
CC1(C#N)CCN(C(=O)C(=O)N2CC[C@H](C(=O)[O-])C2)CC1	ZINC001610018289	970639983	/nfs/dbraw/zinc/63/99/83/970639983.db2.gz	GXWUZLGTAGPALQ-JTQLQIEISA-N	-1	0	293.323	0.072	20	30		CCEDRM
C=CC[C@@H](CO)NS(=O)(=O)c1cccc(C(=O)[O-])c1C	ZINC000320280576	970642670	/nfs/dbraw/zinc/64/26/70/970642670.db2.gz	NTTFISKEIDJOBQ-JTQLQIEISA-N	-1	0	299.348	0.909	20	30		CCEDRM
CC[C@@H](OC(=O)[C@](C)(C#N)CC(=O)[O-])C(=O)OC	ZINC001610152208	970687018	/nfs/dbraw/zinc/68/70/18/970687018.db2.gz	SRMRRTCNGVUAJI-HQJQHLMTSA-N	-1	0	257.242	0.486	20	30		CCEDRM
Cc1cc(C#N)cnc1C(=O)N[C@@H](C(=O)[O-])c1ccnn1C	ZINC001600075818	970755170	/nfs/dbraw/zinc/75/51/70/970755170.db2.gz	CGHOCSQJCRCIPR-GFCCVEGCSA-N	-1	0	299.290	0.551	20	30		CCEDRM
C[C@H](NC(=O)C(=O)Nc1ccc(C#N)c(F)c1)C(=O)[O-]	ZINC001605040977	972649840	/nfs/dbraw/zinc/64/98/40/972649840.db2.gz	DUPHNVOMTANXRJ-LURJTMIESA-N	-1	0	279.227	0.225	20	30		CCEDRM
CO[C@@](C)(C(=O)[O-])C(=O)NCc1ccc(C#N)c(F)c1	ZINC001604462238	973310862	/nfs/dbraw/zinc/31/08/62/973310862.db2.gz	AXNLASQHGOCYCA-CYBMUJFWSA-N	-1	0	280.255	0.803	20	30		CCEDRM
C[C@@H]1OCC[C@@H]1COC(=O)[C@@](C)(C#N)CC(=O)[O-]	ZINC001603479519	973375176	/nfs/dbraw/zinc/37/51/76/973375176.db2.gz	DDUMYNGEFNHFLO-YGOYTEALSA-N	-1	0	255.270	0.959	20	30		CCEDRM
Cc1nnc(NC(=O)[C@](C)(C#N)CC(=O)[O-])n1C	ZINC001605444434	973508242	/nfs/dbraw/zinc/50/82/42/973508242.db2.gz	HNTMIMNMVBKZKP-JTQLQIEISA-N	-1	0	251.246	0.067	20	30		CCEDRM
Cc1noc(C2CN(C(=O)[C@](C)(C#N)CC(=O)[O-])C2)n1	ZINC001605448705	973523351	/nfs/dbraw/zinc/52/33/51/973523351.db2.gz	JFWFSDNKBPDOPO-LBPRGKRZSA-N	-1	0	278.268	0.308	20	30		CCEDRM
COC[C@@]1(C(=O)[O-])CN(c2cc(C)ncc2C#N)CCO1	ZINC001604564059	973621059	/nfs/dbraw/zinc/62/10/59/973621059.db2.gz	FRWNODZZTDNAIE-CQSZACIVSA-N	-1	0	291.307	0.568	20	30		CCEDRM
Cn1ccnc1[C@H](C#N)C(=O)[C@H]1CO[C@H](CCC(=O)[O-])C1	ZINC001605511301	973685842	/nfs/dbraw/zinc/68/58/42/973685842.db2.gz	GIEURGBPQKYVKZ-GMTAPVOTSA-N	-1	0	291.307	0.866	20	30		CCEDRM
N#CC1(C[C@H](O)CN2CCOC[C@@H]2C(=O)[O-])CCC1	ZINC001605576666	973850691	/nfs/dbraw/zinc/85/06/91/973850691.db2.gz	QGYZQYQGFDRCOU-WDEREUQCSA-N	-1	0	268.313	0.217	20	30		CCEDRM
N#CCC(=O)Nc1ccc(C(=O)OCC(=O)[O-])cc1	ZINC001605582144	973863935	/nfs/dbraw/zinc/86/39/35/973863935.db2.gz	UJFONPUDFRLTMC-UHFFFAOYSA-N	-1	0	262.221	0.780	20	30		CCEDRM
N#CCCCNC(=O)C(=O)NCc1ccc(C(=O)[O-])cc1	ZINC001605582270	973866177	/nfs/dbraw/zinc/86/61/77/973866177.db2.gz	YKYYRQMENYTINI-UHFFFAOYSA-N	-1	0	289.291	0.421	20	30		CCEDRM
N#CCN1CCC[C@H](CNC(=O)[C@H]2CC[C@H]2C(=O)[O-])C1	ZINC001605585859	973877505	/nfs/dbraw/zinc/87/75/05/973877505.db2.gz	KIZAARHLCXROMR-GRYCIOLGSA-N	-1	0	279.340	0.449	20	30		CCEDRM
N#Cc1cc(F)cc(Cl)c1OCC(=O)NCC(=O)[O-]	ZINC001605592091	973892860	/nfs/dbraw/zinc/89/28/60/973892860.db2.gz	UENZGHNYTOXMQG-UHFFFAOYSA-N	-1	0	286.646	0.930	20	30		CCEDRM
N#Cc1cnccc1N1C[C@H]2COC[C@@]2(C(=O)[O-])C1	ZINC001605626416	973954005	/nfs/dbraw/zinc/95/40/05/973954005.db2.gz	IYOOGLWSQVPZLC-GWCFXTLKSA-N	-1	0	259.265	0.491	20	30		CCEDRM
CCCNC(=O)[C@H](C)NC(=O)[C@@](C)(C#N)CC(=O)[O-]	ZINC001603674606	974058854	/nfs/dbraw/zinc/05/88/54/974058854.db2.gz	OAKKVKKSZGHURL-QPUJVOFHSA-N	-1	0	269.301	0.022	20	30		CCEDRM
CCO[C@@H]1C[C@H](NC(=O)[C@@](C)(C#N)CC(=O)[O-])[C@H]1OC	ZINC001603825212	974319991	/nfs/dbraw/zinc/31/99/91/974319991.db2.gz	FHMFCEYLCZEPRK-SEMCEJNYSA-N	-1	0	284.312	0.300	20	30		CCEDRM
CN(C)C[C@](C)(C#N)NC(=O)[C@@H]1CC[C@H]1C(=O)[O-]	ZINC001604057590	974588608	/nfs/dbraw/zinc/58/86/08/974588608.db2.gz	IFFAJDJEEYMOAV-LNLATYFQSA-N	-1	0	253.302	0.057	20	30		CCEDRM
CC(C)OC[C@@H](C(=O)[O-])N(C)CCO[C@H](C)C#N	ZINC001591712817	975611976	/nfs/dbraw/zinc/61/19/76/975611976.db2.gz	YNNSTORPXOQEBB-MNOVXSKESA-N	-1	0	258.318	0.725	20	30		CCEDRM
CC(C)c1nnc(CCC(=O)N(CC#N)CCC(=O)[O-])o1	ZINC001592050141	976785681	/nfs/dbraw/zinc/78/56/81/976785681.db2.gz	LZQZZKAVSXIXPI-UHFFFAOYSA-N	-1	0	294.311	0.952	20	30		CCEDRM
CC(C)n1cnc(C(=O)N(CC#N)CCC(=O)[O-])c1	ZINC001592144791	976999238	/nfs/dbraw/zinc/99/92/38/976999238.db2.gz	SPPYCALVOHENQQ-UHFFFAOYSA-N	-1	0	264.285	0.904	20	30		CCEDRM
C[C@H](/C=C/C(=O)[O-])NS(=O)(=O)c1ccc(C#N)s1	ZINC001592213434	977273782	/nfs/dbraw/zinc/27/37/82/977273782.db2.gz	XQPWNVNQOLCOIT-NUOXCJHRSA-N	-1	0	286.334	0.927	20	30		CCEDRM
C[C@H](CCN=Nc1ccccc1S(N)(=O)=O)C(=O)[O-]	ZINC001592470675	978224124	/nfs/dbraw/zinc/22/41/24/978224124.db2.gz	KJLSDPSLTLXREI-MRVPVSSYSA-N	-1	0	285.325	0.843	20	30		CCEDRM
CC[C@](COC)(NC(=O)c1cccc(C#N)n1)C(=O)[O-]	ZINC001595193068	979883540	/nfs/dbraw/zinc/88/35/40/979883540.db2.gz	BOHDZTHSFVQQQG-CYBMUJFWSA-N	-1	0	277.280	0.563	20	30		CCEDRM
CC[C@](C)(C#N)C(=O)N1CCN(CC(=O)[O-])CC1	ZINC001594777718	981770004	/nfs/dbraw/zinc/77/00/04/981770004.db2.gz	DBZSYPSIVDOWRY-GFCCVEGCSA-N	-1	0	253.302	0.155	20	30		CCEDRM
N#Cc1ccc(S(=O)(=O)N[C@H](C(=O)[O-])C2CC2)nc1	ZINC001574250056	983203405	/nfs/dbraw/zinc/20/34/05/983203405.db2.gz	RPSLJHWLGYFXHQ-JTQLQIEISA-N	-1	0	281.293	0.095	20	30		CCEDRM
CCC[C@@H](NC(=O)[C@@H](O)c1ccc(C#N)cc1)C(=O)[O-]	ZINC001595992886	983247819	/nfs/dbraw/zinc/24/78/19/983247819.db2.gz	LTBSGWKXVYFQAQ-NEPJUHHUSA-N	-1	0	276.292	0.961	20	30		CCEDRM
C#C[C@H](C)NC(=O)C(=O)Nc1cc2[nH]ccc2c(C(=O)[O-])c1	ZINC001588368023	983302828	/nfs/dbraw/zinc/30/28/28/983302828.db2.gz	FPPLQAJDHAUSFR-QMMMGPOBSA-N	-1	0	299.286	0.943	20	30		CCEDRM
C#C[C@H](C)NC(=O)N1CCC[C@@](O)(C2(C(=O)[O-])CCC2)C1	ZINC001588368170	983303708	/nfs/dbraw/zinc/30/37/08/983303708.db2.gz	HOIJBRKYCYERNP-NHYWBVRUSA-N	-1	0	294.351	0.800	20	30		CCEDRM
C#C[C@@H](C)N(C)S(=O)(=O)c1ccc(C(=O)[O-])nc1	ZINC001588369059	983310596	/nfs/dbraw/zinc/31/05/96/983310596.db2.gz	ZDFGHEBRVOFTOY-MRVPVSSYSA-N	-1	0	268.294	0.422	20	30		CCEDRM
C#C[C@@H](CC)NS(=O)(=O)CC1(C(=O)[O-])CCCC1	ZINC001588369542	983314642	/nfs/dbraw/zinc/31/46/42/983314642.db2.gz	PDKNCSWCCFRFPR-JTQLQIEISA-N	-1	0	273.354	0.963	20	30		CCEDRM
C#C[C@H](C)NS(=O)(=O)c1sc(C(=O)[O-])cc1OC	ZINC001588369856	983317982	/nfs/dbraw/zinc/31/79/82/983317982.db2.gz	ZBVCOSXSAVNHIW-LURJTMIESA-N	-1	0	289.334	0.755	20	30		CCEDRM
C#C[C@@H](CO)NC(=O)Nc1cccc(C(=O)[O-])c1C	ZINC001588370878	983322501	/nfs/dbraw/zinc/32/25/01/983322501.db2.gz	PLSGYOBMKGBQII-VIFPVBQESA-N	-1	0	262.265	0.809	20	30		CCEDRM
C#C[C@H](NC(=O)N1CC[C@H](C(=O)[O-])[C@H]1C)[C@H]1CCCO1	ZINC001588372147	983328718	/nfs/dbraw/zinc/32/87/18/983328718.db2.gz	DQTIMNBBRZEWQZ-NOOOWODRSA-N	-1	0	280.324	0.672	20	30		CCEDRM
C#C[C@H](NC(=O)NC[C@H](CC(=O)[O-])C1CC1)[C@H]1CCCO1	ZINC001588372281	983329475	/nfs/dbraw/zinc/32/94/75/983329475.db2.gz	HJFLJWUIMIPTPS-RWMBFGLXSA-N	-1	0	294.351	0.967	20	30		CCEDRM
C#C[C@H](NC(=O)N1CCC[C@@H]1CC(=O)[O-])[C@@H]1CCCO1	ZINC001588372297	983330104	/nfs/dbraw/zinc/33/01/04/983330104.db2.gz	HRCADVABUUUHOE-WOPDTQHZSA-N	-1	0	280.324	0.816	20	30		CCEDRM
C#C[C@H](NC(=O)N1CC[C@@H](C(=O)[O-])[C@@H](C)C1)[C@H]1CCCO1	ZINC001588372776	983333655	/nfs/dbraw/zinc/33/36/55/983333655.db2.gz	SJWHJVKDGVYHKI-QNWHQSFQSA-N	-1	0	294.351	0.919	20	30		CCEDRM
C#C[C@@H](NC(=O)NCC(C)(C)CC(=O)[O-])[C@@H]1CCCO1	ZINC001588372766	983333679	/nfs/dbraw/zinc/33/36/79/983333679.db2.gz	SFQNRMDMYNFZKI-MNOVXSKESA-N	-1	0	282.340	0.967	20	30		CCEDRM
C#C[C@@H](NCc1cnc(C(=O)[O-])cn1)[C@@H]1CCCO1	ZINC001588377086	983355046	/nfs/dbraw/zinc/35/50/46/983355046.db2.gz	IXEZTAHJISCWPM-PWSUYJOCSA-N	-1	0	261.281	0.445	20	30		CCEDRM
C#CC1(O)CN([C@H](C(=O)[O-])c2ccc(C#N)cc2)C1	ZINC001588382153	983369470	/nfs/dbraw/zinc/36/94/70/983369470.db2.gz	HUYDRKHJBJQKHN-LBPRGKRZSA-N	-1	0	256.261	0.364	20	30		CCEDRM
C#CC1(O)CN(c2cc(C)c([N+](=O)[O-])cc2C(=O)[O-])C1	ZINC001588382628	983372975	/nfs/dbraw/zinc/37/29/75/983372975.db2.gz	RBOXIIVPJUTUGV-UHFFFAOYSA-N	-1	0	276.248	0.786	20	30		CCEDRM
C#C[C@H]1CCCN(S(=O)(=O)c2cncc(C(=O)[O-])c2)C1	ZINC001588382760	983373922	/nfs/dbraw/zinc/37/39/22/983373922.db2.gz	HLNQDMVNKVKEAD-JTQLQIEISA-N	-1	0	294.332	0.814	20	30		CCEDRM
C#C[C@H]1CCCN(c2cc(C)nc3nc(C(=O)[O-])nn32)C1	ZINC001588383252	983379285	/nfs/dbraw/zinc/37/92/85/983379285.db2.gz	QMPDGSXBQSSEOM-JTQLQIEISA-N	-1	0	285.307	0.981	20	30		CCEDRM
C#CCC(CC#C)C(=O)Nc1cnn(CC(=O)[O-])c1C	ZINC001588389767	983388004	/nfs/dbraw/zinc/38/80/04/983388004.db2.gz	AKWQOTKMVGNHFZ-UHFFFAOYSA-N	-1	0	273.292	0.877	20	30		CCEDRM
C#CC[C@@H](NC(=O)C(=O)c1ccc(O)cc1)C(=O)[O-]	ZINC001588393357	983397496	/nfs/dbraw/zinc/39/74/96/983397496.db2.gz	AKPVBEZIEMCZDH-SNVBAGLBSA-N	-1	0	261.233	0.168	20	30		CCEDRM
C#CC[C@H](NC(=O)Cc1c[nH]c2ncccc12)C(=O)[O-]	ZINC001588404636	983418415	/nfs/dbraw/zinc/41/84/15/983418415.db2.gz	DJGYDDBSDAMBMS-NSHDSACASA-N	-1	0	271.276	0.698	20	30		CCEDRM
C#CC[C@@H](NC(=O)CNC(=O)c1ccccc1C)C(=O)[O-]	ZINC001588405496	983421788	/nfs/dbraw/zinc/42/17/88/983421788.db2.gz	PWXHLYAHUOEABL-GFCCVEGCSA-N	-1	0	288.303	0.318	20	30		CCEDRM
C#CC[C@H](NC(=O)CCCCC(=O)OC)C(=O)[O-]	ZINC001588406437	983425620	/nfs/dbraw/zinc/42/56/20/983425620.db2.gz	QEFLGSFAMPGQDV-VIFPVBQESA-N	-1	0	255.270	0.313	20	30		CCEDRM
C#CC[C@@H](NC(=O)[C@H]1CCCC[C@H]1C(=O)[O-])C(=O)OC	ZINC001588407771	983429420	/nfs/dbraw/zinc/42/94/20/983429420.db2.gz	OSMSYSHEDKTQIZ-HBNTYKKESA-N	-1	0	281.308	0.559	20	30		CCEDRM
C#CC[C@@H](NC(=O)[C@H](CC)NC(=O)OC(C)(C)C)C(=O)[O-]	ZINC001588407999	983429907	/nfs/dbraw/zinc/42/99/07/983429907.db2.gz	ULBIOOHDPIJJHB-VHSXEESVSA-N	-1	0	298.339	0.882	20	30		CCEDRM
C#CC[C@H](NC(=O)c1cc(=O)c2ccccc2n1C)C(=O)[O-]	ZINC001588413845	983432486	/nfs/dbraw/zinc/43/24/86/983432486.db2.gz	JNJRAHXEQDRGPB-NSHDSACASA-N	-1	0	298.298	0.745	20	30		CCEDRM
C#CC[C@H](NC(=O)c1cccc2oc(=O)[nH]c21)C(=O)[O-]	ZINC001588416724	983437594	/nfs/dbraw/zinc/43/75/94/983437594.db2.gz	QQBAYDOHIAURHH-QMMMGPOBSA-N	-1	0	274.232	0.740	20	30		CCEDRM
C#CC[C@@H](NC(=O)c1nnc(C(C)C)s1)C(=O)[O-]	ZINC001588421340	983440646	/nfs/dbraw/zinc/44/06/46/983440646.db2.gz	HGUTYHLEJGWPMJ-SSDOTTSWSA-N	-1	0	267.310	0.868	20	30		CCEDRM
C#CC[C@H](NC[C@H]1[C@@H](C(=O)[O-])C1(F)F)C(=O)OC	ZINC001588422837	983449055	/nfs/dbraw/zinc/44/90/55/983449055.db2.gz	PWUAXEGPAUCGQQ-FXQIFTODSA-N	-1	0	261.224	0.107	20	30		CCEDRM
C#CC[C@@H](NS(=O)(=O)CC12CCC(CC1)C2)C(=O)[O-]	ZINC001588423588	983453627	/nfs/dbraw/zinc/45/36/27/983453627.db2.gz	LRZAHTXQSGFWCC-QWKFWESOSA-N	-1	0	285.365	0.963	20	30		CCEDRM
C#CC[C@@H](OC(=O)CN1CCC[C@@H](C(=O)[O-])C1=O)C(C)C	ZINC001588428300	983460965	/nfs/dbraw/zinc/46/09/65/983460965.db2.gz	JKBHFKDYMRNQQQ-VXGBXAGGSA-N	-1	0	295.335	0.901	20	30		CCEDRM
C#CC[C@@H]1CCN(S(=O)(=O)CC2(C(=O)[O-])CCC2)C1	ZINC001588434437	983470218	/nfs/dbraw/zinc/47/02/18/983470218.db2.gz	JYWXMRKVGBNZSZ-LLVKDONJSA-N	-1	0	285.365	0.916	20	30		CCEDRM
C#CCCCC(=O)NCCN(C)C(=O)[C@H]1C[C@H]1C(=O)[O-]	ZINC001588435239	983475435	/nfs/dbraw/zinc/47/54/35/983475435.db2.gz	HPSXOJCXGVQZHF-WDEREUQCSA-N	-1	0	280.324	0.085	20	30		CCEDRM
C#CCCCC(=O)NCCN(C)C(=O)[C@@H]1C[C@@H]1C(=O)[O-]	ZINC001588435237	983475458	/nfs/dbraw/zinc/47/54/58/983475458.db2.gz	HPSXOJCXGVQZHF-MNOVXSKESA-N	-1	0	280.324	0.085	20	30		CCEDRM
C#CCCS(=O)(=O)N(CCc1ccccc1)CC(=O)[O-]	ZINC001588458637	983483751	/nfs/dbraw/zinc/48/37/51/983483751.db2.gz	QTSVUXGPLYYTRJ-UHFFFAOYSA-N	-1	0	295.360	0.969	20	30		CCEDRM
C#CCN1CCC[C@H](NC(=O)N2CC[C@H](C(=O)[O-])[C@@H]2C)C1	ZINC001588477380	983515881	/nfs/dbraw/zinc/51/58/81/983515881.db2.gz	ZCQBJQRCOXXHSX-AVGNSLFASA-N	-1	0	293.367	0.589	20	30		CCEDRM
C#CCNC(=O)[C@H](C)ON=Cc1ccc(C(=O)[O-])cc1	ZINC001588479477	983520282	/nfs/dbraw/zinc/52/02/82/983520282.db2.gz	POXVDBMQGCTNNE-JTQLQIEISA-N	-1	0	274.276	0.873	20	30		CCEDRM
C#CCNC(=O)[C@H](C)OC(=O)c1ccc(C)c(C(=O)[O-])c1	ZINC001588479562	983520744	/nfs/dbraw/zinc/52/07/44/983520744.db2.gz	UDHCYHKPEJLTLW-JTQLQIEISA-N	-1	0	289.287	0.988	20	30		CCEDRM
C#CCNS(=O)(=O)c1ccc(C(=O)OC)c(C(=O)[O-])c1	ZINC001588485920	983526195	/nfs/dbraw/zinc/52/61/95/983526195.db2.gz	AWOYDWYKNZHCNN-UHFFFAOYSA-N	-1	0	297.288	0.083	20	30		CCEDRM
C#CCO[C@@H](C)C(=O)N(C)[C@@H](COC(C)C)C(=O)[O-]	ZINC001588490043	983530567	/nfs/dbraw/zinc/53/05/67/983530567.db2.gz	FXBYKLZSXXTVQK-QWRGUYRKSA-N	-1	0	271.313	0.361	20	30		CCEDRM
C#CCO[C@H](C)C(=O)Nc1cc(C(=O)[O-])n(C)c1	ZINC001588490663	983533281	/nfs/dbraw/zinc/53/32/81/983533281.db2.gz	ULPAWZDKHAQPLH-MRVPVSSYSA-N	-1	0	250.254	0.700	20	30		CCEDRM
C#Cc1ccc(C(=O)N2C[C@H](C(=O)[O-])C[C@H](O)C2)cc1	ZINC001588511096	983558455	/nfs/dbraw/zinc/55/84/55/983558455.db2.gz	QKIOZNHHJXREBQ-OLZOCXBDSA-N	-1	0	273.288	0.576	20	30		CCEDRM
C#Cc1cncc(C(=O)N2CC(n3cc(C(=O)[O-])nn3)C2)c1	ZINC001588529028	983579260	/nfs/dbraw/zinc/57/92/60/983579260.db2.gz	NOKRZWJDMCRIRM-UHFFFAOYSA-N	-1	0	297.274	0.050	20	30		CCEDRM
CCN(CC#N)S(=O)(=O)c1ccc(C(=O)[O-])s1	ZINC001596200369	983585642	/nfs/dbraw/zinc/58/56/42/983585642.db2.gz	YGYYPFAHMDLZKZ-UHFFFAOYSA-N	-1	0	274.323	0.980	20	30		CCEDRM
C=C(C)C[C@@H](CO)NC(=O)CC[C@@H]1C[C@H](C(=O)[O-])CO1	ZINC001588534628	983586277	/nfs/dbraw/zinc/58/62/77/983586277.db2.gz	BGJXESZFVYLRER-SDDRHHMPSA-N	-1	0	285.340	0.700	20	30		CCEDRM
C=C(C)C[C@@H](CO)NC(=O)c1ccc(C(=O)[O-])n1C	ZINC001588536447	983593828	/nfs/dbraw/zinc/59/38/28/983593828.db2.gz	BKJXAQRQIABGMH-VIFPVBQESA-N	-1	0	266.297	0.780	20	30		CCEDRM
C=C(C)C[C@@H](NC(=O)CCC(=O)N1CCOCC1)C(=O)[O-]	ZINC001588540481	983603949	/nfs/dbraw/zinc/60/39/49/983603949.db2.gz	HHOCXUJSPOIAAY-LLVKDONJSA-N	-1	0	298.339	0.161	20	30		CCEDRM
C=C(C)C[C@@H](NC(=O)[C@@H]1CCCN(C(N)=O)C1)C(=O)[O-]	ZINC001588541180	983606749	/nfs/dbraw/zinc/60/67/49/983606749.db2.gz	UZHFQMFKRNJKKA-NXEZZACHSA-N	-1	0	283.328	0.313	20	30		CCEDRM
C=C(C)C[C@@H](NC(=O)CNC(=O)c1ccoc1C)C(=O)[O-]	ZINC001588542614	983609132	/nfs/dbraw/zinc/60/91/32/983609132.db2.gz	NRWYTZFDOWNJAG-LLVKDONJSA-N	-1	0	294.307	0.853	20	30		CCEDRM
C=C(C)C[C@H](NC(=O)CN1CCSC1=O)C(=O)[O-]	ZINC001588543051	983610693	/nfs/dbraw/zinc/61/06/93/983610693.db2.gz	VZXIYIJTNAFQCQ-QMMMGPOBSA-N	-1	0	272.326	0.691	20	30		CCEDRM
C=C(C)C[C@H](Nc1nccc(S(C)(=O)=O)n1)C(=O)[O-]	ZINC001588554486	983630468	/nfs/dbraw/zinc/63/04/68/983630468.db2.gz	IBLYILZQSRFXIK-QMMMGPOBSA-N	-1	0	285.325	0.711	20	30		CCEDRM
C=C(CC(C)C)C(=O)N1C[C@H](C(=O)OC)[C@H](C(=O)[O-])C1	ZINC001588605259	983691860	/nfs/dbraw/zinc/69/18/60/983691860.db2.gz	FRFAZLFQPHPGNM-MNOVXSKESA-N	-1	0	283.324	0.921	20	30		CCEDRM
C=C(CCC(=O)[O-])C(=O)N1CCC[C@H](CCC(N)=O)C1	ZINC001588614426	983707530	/nfs/dbraw/zinc/70/75/30/983707530.db2.gz	VAIDIUATKBDANM-LLVKDONJSA-N	-1	0	282.340	0.912	20	30		CCEDRM
C=C(CCC(=O)[O-])C(=O)N1CCC[C@H](NC(=O)NC)C1	ZINC001588615575	983712493	/nfs/dbraw/zinc/71/24/93/983712493.db2.gz	YXGKQVNCQLDYOL-JTQLQIEISA-N	-1	0	283.328	0.327	20	30		CCEDRM
C=C(CCC(=O)[O-])C(=O)N[C@H](C(N)=O)c1ccccn1	ZINC001588619515	983717226	/nfs/dbraw/zinc/71/72/26/983717226.db2.gz	WLLTYZSBSVLKBW-NSHDSACASA-N	-1	0	277.280	0.145	20	30		CCEDRM
C=C(CCC(=O)[O-])C(=O)N[C@@]1(CCOC)CCOC1	ZINC001588622387	983723159	/nfs/dbraw/zinc/72/31/59/983723159.db2.gz	WYIMAHWUYQZQSK-ZDUSSCGKSA-N	-1	0	271.313	0.719	20	30		CCEDRM
CCN(CCC#N)C(=O)Cn1cc([N+](=O)[O-])c(C(=O)[O-])n1	ZINC001596299439	983723874	/nfs/dbraw/zinc/72/38/74/983723874.db2.gz	HNCZEKBBYZLCQA-UHFFFAOYSA-N	-1	0	295.255	0.252	20	30		CCEDRM
C=C(CCC(=O)[O-])C(=O)NCCS(=O)(=O)C(C)C	ZINC001588624694	983734440	/nfs/dbraw/zinc/73/44/40/983734440.db2.gz	SRUQTHVJESKEGD-UHFFFAOYSA-N	-1	0	277.342	0.347	20	30		CCEDRM
C=C(CCC(=O)[O-])C(=O)NCCn1ccnc1CC	ZINC001588629906	983740323	/nfs/dbraw/zinc/74/03/23/983740323.db2.gz	MQJXSPSBKRGHBC-UHFFFAOYSA-N	-1	0	265.313	0.983	20	30		CCEDRM
C=C(CCC(=O)[O-])C(=O)NCc1cn(C)nc1C	ZINC001588630090	983741178	/nfs/dbraw/zinc/74/11/78/983741178.db2.gz	QFKXXSPGRIHJRA-UHFFFAOYSA-N	-1	0	251.286	0.766	20	30		CCEDRM
C=C(CCC(=O)[O-])C(=O)NCc1nc2cccnc2[nH]1	ZINC001588630285	983742878	/nfs/dbraw/zinc/74/28/78/983742878.db2.gz	WITUZECOMRDFBM-UHFFFAOYSA-N	-1	0	274.280	0.995	20	30		CCEDRM
CCN(CCC(=O)[O-])S(=O)(=O)N(C)C[C@@H](C)C#N	ZINC001596316095	983748853	/nfs/dbraw/zinc/74/88/53/983748853.db2.gz	RMQYUPXWXRYWKD-VIFPVBQESA-N	-1	0	277.346	0.119	20	30		CCEDRM
C=C(CO)C(=O)N(CCCOCC)C[C@@H](C)C(=O)[O-]	ZINC001588637297	983759389	/nfs/dbraw/zinc/75/93/89/983759389.db2.gz	LITXZBVDHHBBPR-SNVBAGLBSA-N	-1	0	273.329	0.511	20	30		CCEDRM
C=C[C@H](C(=O)[O-])N1CCC[C@@H](OC(=O)N(C)C)C1	ZINC001588664133	983799055	/nfs/dbraw/zinc/79/90/55/983799055.db2.gz	SYFIGWIAESPUMN-NXEZZACHSA-N	-1	0	256.302	0.788	20	30		CCEDRM
C=C[C@H](C(=O)OC)N1CCC[C@@H](n2cc(C(=O)[O-])nn2)C1	ZINC001588671794	983822777	/nfs/dbraw/zinc/82/27/77/983822777.db2.gz	IPGNPCDYJFOFSW-MWLCHTKSSA-N	-1	0	294.311	0.341	20	30		CCEDRM
C=C[C@@H](C(=O)[O-])n1cc(CN2CCC[C@H]2CO)nn1	ZINC001588672491	983825480	/nfs/dbraw/zinc/82/54/80/983825480.db2.gz	SXPLBYNAHSHKRJ-QWRGUYRKSA-N	-1	0	266.301	0.047	20	30		CCEDRM
C=C[C@@](C)(O)CC(=O)N[C@H]1C[C@@H](C(=O)[O-])[C@@H]2C[C@@H]21	ZINC001588684175	983856015	/nfs/dbraw/zinc/85/60/15/983856015.db2.gz	MPFSMMKYQRSTAC-WPYQSKQHSA-N	-1	0	253.298	0.539	20	30		CCEDRM
C=C[C@@H](COC)NC(=O)Nc1nn(C)cc1C(=O)[O-]	ZINC001588692830	983887046	/nfs/dbraw/zinc/88/70/46/983887046.db2.gz	KOSCTGPIMISVLZ-ZETCQYMHSA-N	-1	0	268.273	0.441	20	30		CCEDRM
C=C[C@@H](Nc1cnn(CC(=O)OC)c1C)C(=O)[O-]	ZINC001588701928	983917084	/nfs/dbraw/zinc/91/70/84/983917084.db2.gz	CZLBNLVMWUIRRL-MRVPVSSYSA-N	-1	0	253.258	0.416	20	30		CCEDRM
C=C[C@@H](Nc1cnn(CC(=O)[O-])c1C)C(=O)OC	ZINC001588702729	983921382	/nfs/dbraw/zinc/92/13/82/983921382.db2.gz	WYCPJHNXABZCTL-MRVPVSSYSA-N	-1	0	253.258	0.416	20	30		CCEDRM
C=C[C@H](OC(=O)[C@@H](C)Cc1cnn(C)c1)C(=O)[O-]	ZINC001588705222	983926510	/nfs/dbraw/zinc/92/65/10/983926510.db2.gz	LLIVZKDVWQYDMB-WPRPVWTQSA-N	-1	0	252.270	0.781	20	30		CCEDRM
C=C[C@H](O)c1nnc(N2C[C@@H](C(=O)[O-])[C@H](C3CC3)C2)n1C	ZINC001588706171	983929885	/nfs/dbraw/zinc/92/98/85/983929885.db2.gz	WARREISJEXAKEI-AXFHLTTASA-N	-1	0	292.339	0.582	20	30		CCEDRM
C=C[C@@H](OC(=O)C1CCN(C(=O)OC)CC1)C(=O)[O-]	ZINC001588710552	983932603	/nfs/dbraw/zinc/93/26/03/983932603.db2.gz	FFIPGRYZBXEHGV-SECBINFHSA-N	-1	0	271.269	0.647	20	30		CCEDRM
C=C[C@H](OC(=O)CN1Cc2ccccc2C1=O)C(=O)[O-]	ZINC001588712478	983944312	/nfs/dbraw/zinc/94/43/12/983944312.db2.gz	WJPQBZLBLPQUQH-NSHDSACASA-N	-1	0	275.260	0.825	20	30		CCEDRM
C=C[C@@H](Sc1nnc(-c2cc(C)[nH]n2)n1N)C(=O)[O-]	ZINC001588714518	983951859	/nfs/dbraw/zinc/95/18/59/983951859.db2.gz	ILEWHELGTIYMEO-SSDOTTSWSA-N	-1	0	280.313	0.422	20	30		CCEDRM
C=CCC(F)(F)C(=O)N[C@H](Cn1ccnc1)C(=O)[O-]	ZINC001588742430	984032737	/nfs/dbraw/zinc/03/27/37/984032737.db2.gz	CVFQVFXJOKMHAP-MRVPVSSYSA-N	-1	0	273.239	0.664	20	30		CCEDRM
C=CC[C@H](NC(=O)[C@H](C)CC(=O)[O-])C(=O)OCC	ZINC001588742833	984034568	/nfs/dbraw/zinc/03/45/68/984034568.db2.gz	LJOADTLWIVLXRW-BDAKNGLRSA-N	-1	0	257.286	0.721	20	30		CCEDRM
C=CC[C@H](N[C@H](C)c1nnnn1C1CC1)C(=O)[O-]	ZINC001588745535	984052785	/nfs/dbraw/zinc/05/27/85/984052785.db2.gz	KINJHYLBRPBSKK-APPZFPTMSA-N	-1	0	251.290	0.688	20	30		CCEDRM
C=CC[C@@H](OC(=O)CCc1cnn(C)n1)C(=O)[O-]	ZINC001588754411	984093963	/nfs/dbraw/zinc/09/39/63/984093963.db2.gz	ZOCYJNFHILPDLN-SECBINFHSA-N	-1	0	253.258	0.320	20	30		CCEDRM
C=CC[C@@H](OC(=O)c1nc2ncccn2n1)C(=O)[O-]	ZINC001588758903	984108805	/nfs/dbraw/zinc/10/88/05/984108805.db2.gz	LWHZLNGIEPDVGY-SSDOTTSWSA-N	-1	0	262.225	0.310	20	30		CCEDRM
C=CCC[C@H](CO)NS(=O)(=O)CC1(CC(=O)[O-])CC1	ZINC001588777867	984158409	/nfs/dbraw/zinc/15/84/09/984158409.db2.gz	NQTOZOKPQQFKMD-SNVBAGLBSA-N	-1	0	291.369	0.488	20	30		CCEDRM
C=CCC[C@@H](CO)NC(=O)Cn1cc(C(=O)[O-])cn1	ZINC001588778172	984159823	/nfs/dbraw/zinc/15/98/23/984159823.db2.gz	WEZJOTHPHYXLHC-JTQLQIEISA-N	-1	0	267.285	0.025	20	30		CCEDRM
C=CCCC[C@H](NC(=O)C1(C(=O)N(C)C)CC1)C(=O)[O-]	ZINC001588784740	984177603	/nfs/dbraw/zinc/17/76/03/984177603.db2.gz	ARJWIFOSERQAPV-JTQLQIEISA-N	-1	0	282.340	0.781	20	30		CCEDRM
C=CCCC[C@H](NC(=O)Cn1cnc([N+](=O)[O-])n1)C(=O)[O-]	ZINC001588793781	984221657	/nfs/dbraw/zinc/22/16/57/984221657.db2.gz	AUKDEHCZIUVYRG-QMMMGPOBSA-N	-1	0	297.271	0.112	20	30		CCEDRM
C=CCCC[C@@H](NC(=O)[C@@H]1C[C@@H]1C(N)=O)C(=O)[O-]	ZINC001588794154	984224702	/nfs/dbraw/zinc/22/47/02/984224702.db2.gz	MVHQWRIICOBCSD-DJLDLDEBSA-N	-1	0	254.286	0.034	20	30		CCEDRM
C=CCCO[C@@H](C)C(=O)N[C@@]1(C(=O)[O-])C[C@@H](O)C1	ZINC001588808983	984264897	/nfs/dbraw/zinc/26/48/97/984264897.db2.gz	UKSTUIRYTRKHCG-HOTUBEGUSA-N	-1	0	257.286	0.062	20	30		CCEDRM
C=CCN(CC=C)C(=O)COC(=O)C1(C(=O)[O-])CC1	ZINC001588825373	984299902	/nfs/dbraw/zinc/29/99/02/984299902.db2.gz	MSJLIVLXMYCBPH-UHFFFAOYSA-N	-1	0	267.281	0.595	20	30		CCEDRM
CCOC(=O)[C@](C)(O)CNc1ccc(C(=O)[O-])nc1C#N	ZINC001596516768	984300187	/nfs/dbraw/zinc/30/01/87/984300187.db2.gz	NBSZMUSPKFBOSU-CYBMUJFWSA-N	-1	0	293.279	0.377	20	30		CCEDRM
C=CCN(CC=C)C(=O)CN1C[C@H](OC)C[C@@]1(C)C(=O)[O-]	ZINC001588825492	984300587	/nfs/dbraw/zinc/30/05/87/984300587.db2.gz	RGNSBAHJAINPLN-DOMZBBRYSA-N	-1	0	296.367	0.751	20	30		CCEDRM
C=CCN(CCC#N)Cn1nc(C(=O)[O-])ccc1=O	ZINC001588826587	984305168	/nfs/dbraw/zinc/30/51/68/984305168.db2.gz	LLXKTHHBEANKPK-UHFFFAOYSA-N	-1	0	262.269	0.301	20	30		CCEDRM
C=CCOCC(=O)N1CCC2(CC(C(=O)[O-])=NO2)CC1	ZINC001588849773	984375478	/nfs/dbraw/zinc/37/54/78/984375478.db2.gz	IZXGLYTUGJFNQA-UHFFFAOYSA-N	-1	0	282.296	0.411	20	30		CCEDRM
C=CCOC[C@@H](NC(=O)C(C)(C)c1c[nH]cn1)C(=O)[O-]	ZINC001588850952	984381636	/nfs/dbraw/zinc/38/16/36/984381636.db2.gz	LJIARDHWKRHSIP-SECBINFHSA-N	-1	0	281.312	0.459	20	30		CCEDRM
C=CCOC[C@@H](NC(=O)[C@H]1CCCN(C(C)=O)C1)C(=O)[O-]	ZINC001588855837	984394452	/nfs/dbraw/zinc/39/44/52/984394452.db2.gz	PUZUPWYIMFKOLV-NWDGAFQWSA-N	-1	0	298.339	0.017	20	30		CCEDRM
C=CCOC[C@@H](NC(=O)[C@@H](CC)N1CCCC1=O)C(=O)[O-]	ZINC001588856452	984400401	/nfs/dbraw/zinc/40/04/01/984400401.db2.gz	ZOROYPCHSPWLQK-GHMZBOCLSA-N	-1	0	298.339	0.159	20	30		CCEDRM
C=CCOC[C@@H](NC(=O)Cc1cc(C)no1)C(=O)[O-]	ZINC001588856978	984402559	/nfs/dbraw/zinc/40/25/59/984402559.db2.gz	UIBCEPKQEPPJSF-SNVBAGLBSA-N	-1	0	268.269	0.298	20	30		CCEDRM
C=CCOC[C@@H](NC(=O)c1cc(F)ccc1N)C(=O)[O-]	ZINC001588859409	984405465	/nfs/dbraw/zinc/40/54/65/984405465.db2.gz	KPSGYHDDWYHBJN-LLVKDONJSA-N	-1	0	282.271	0.794	20	30		CCEDRM
C=CCOC[C@@H](NC(=O)c1cnc(OCC)cn1)C(=O)[O-]	ZINC001588860294	984412130	/nfs/dbraw/zinc/41/21/30/984412130.db2.gz	POIWWHDDIGMEBD-SNVBAGLBSA-N	-1	0	295.295	0.261	20	30		CCEDRM
C=CCOC[C@@H](NC(=O)c1ccc(C(N)=O)s1)C(=O)[O-]	ZINC001588861506	984415524	/nfs/dbraw/zinc/41/55/24/984415524.db2.gz	HYWBTVYTAOFRTQ-SSDOTTSWSA-N	-1	0	298.320	0.233	20	30		CCEDRM
C=CCOC[C@@H](NCc1ccc(OC)cn1)C(=O)[O-]	ZINC001588865901	984421173	/nfs/dbraw/zinc/42/11/73/984421173.db2.gz	FNDCFHAGLQBPCC-GFCCVEGCSA-N	-1	0	266.297	0.836	20	30		CCEDRM
C=CCOC[C@@H](NC1CC(CC(=O)[O-])C1)C(=O)OC	ZINC001588866088	984422387	/nfs/dbraw/zinc/42/23/87/984422387.db2.gz	JOBORXLBTUMLFC-VQXHTEKXSA-N	-1	0	271.313	0.574	20	30		CCEDRM
C=CCOc1ccc(CC(=O)NC[C@@H](O)CC(=O)[O-])cc1	ZINC001588873996	984447131	/nfs/dbraw/zinc/44/71/31/984447131.db2.gz	QNERZBXEXDDHSH-LBPRGKRZSA-N	-1	0	293.319	0.746	20	30		CCEDRM
C=CCn1c(CCO)nnc1N1C[C@@H](C)[C@H](C(=O)[O-])C1	ZINC001588900463	984521153	/nfs/dbraw/zinc/52/11/53/984521153.db2.gz	HJNWAPKPSWYTKK-NXEZZACHSA-N	-1	0	280.328	0.156	20	30		CCEDRM
C=CCn1c(N2CC[C@@](F)(C(=O)[O-])C2)nnc1C1(O)CC1	ZINC001588904271	984528173	/nfs/dbraw/zinc/52/81/73/984528173.db2.gz	NINHCKOIYZSEBX-LBPRGKRZSA-N	-1	0	296.302	0.449	20	30		CCEDRM
C=CCn1cc(C(=O)NCc2ocnc2C(=O)[O-])nn1	ZINC001588910295	984548355	/nfs/dbraw/zinc/54/83/55/984548355.db2.gz	PBMCOHIWQFSQSF-UHFFFAOYSA-N	-1	0	277.240	0.080	20	30		CCEDRM
C=C[C@@H]1OCCC[C@H]1[NH2+]Cc1cnc(C(=O)[O-])cn1	ZINC001588917193	984565086	/nfs/dbraw/zinc/56/50/86/984565086.db2.gz	OWLLJEVHRGVUAT-PWSUYJOCSA-N	-1	0	263.297	0.998	20	30		CCEDRM
CC#CC(=O)N1CC[C@H](C(=O)[O-])C[C@@H]1[C@H]1CCCO1	ZINC001588926333	984593283	/nfs/dbraw/zinc/59/32/83/984593283.db2.gz	SFCMIGXFNFWRSM-QJPTWQEYSA-N	-1	0	265.309	0.881	20	30		CCEDRM
CC#CCCCC(=O)O[C@@H]1CCN(CCC(=O)[O-])C1=O	ZINC001588926911	984595105	/nfs/dbraw/zinc/59/51/05/984595105.db2.gz	CFFMTJITJXONAL-LLVKDONJSA-N	-1	0	281.308	0.799	20	30		CCEDRM
CC#CCCOC(=O)CN1CCC[C@H](C(=O)[O-])C1=O	ZINC001588931044	984601411	/nfs/dbraw/zinc/60/14/11/984601411.db2.gz	JUYNRQAJIRCKOM-JTQLQIEISA-N	-1	0	267.281	0.266	20	30		CCEDRM
C[C@H](CC(=O)[O-])NC(=O)Nc1nn(C)cc1C#N	ZINC001599888293	984663499	/nfs/dbraw/zinc/66/34/99/984663499.db2.gz	MDGDCXXDSIUAIL-ZCFIWIBFSA-N	-1	0	251.246	0.276	20	30		CCEDRM
CCOC(=O)c1cnn(C[C@H]2CC(C(=O)[O-])=NO2)c1C#N	ZINC001596742924	985056071	/nfs/dbraw/zinc/05/60/71/985056071.db2.gz	FHIBTZYZOVOOKS-SSDOTTSWSA-N	-1	0	292.251	0.161	20	30		CCEDRM
C[C@H]1CN(C(=O)c2cccc(C#N)n2)C[C@@H](C(=O)[O-])O1	ZINC001599925081	985189108	/nfs/dbraw/zinc/18/91/08/985189108.db2.gz	DQZVOKDBUZUKNE-KWQFWETISA-N	-1	0	275.264	0.267	20	30		CCEDRM
C[C@H]1CN(C(=O)c2cscc2C#N)C[C@@H](C(=O)[O-])O1	ZINC001599926519	985207298	/nfs/dbraw/zinc/20/72/98/985207298.db2.gz	ANPLQMKMVQRBKQ-XVKPBYJWSA-N	-1	0	280.305	0.934	20	30		CCEDRM
C[C@H]1CN(c2nnc([C@@H]3C[C@@H]3C#N)n2C)C[C@]1(C)C(=O)[O-]	ZINC001599935363	985385207	/nfs/dbraw/zinc/38/52/07/985385207.db2.gz	PKHNUICCQNIUHF-KSQLKPTDSA-N	-1	0	289.339	0.989	20	30		CCEDRM
CC(=O)NCCN(C)Cc1cccc(C(=O)[O-])c1C#N	ZINC001589137530	985440309	/nfs/dbraw/zinc/44/03/09/985440309.db2.gz	FVADCSYWNXQYTL-UHFFFAOYSA-N	-1	0	275.308	0.824	20	30		CCEDRM
Cc1[nH]c(C(=O)[O-])c(C)c1C(=O)N1CC(O)(CC#N)C1	ZINC001599956498	985696885	/nfs/dbraw/zinc/69/68/85/985696885.db2.gz	TYADAUOXPZTBIW-UHFFFAOYSA-N	-1	0	277.280	0.430	20	30		CCEDRM
CCOC[C@H](C(=O)[O-])N(C)S(=O)(=O)CC(C)(C)C#N	ZINC001596884556	985772927	/nfs/dbraw/zinc/77/29/27/985772927.db2.gz	LSWKRYSAUQCDRB-SECBINFHSA-N	-1	0	292.357	0.287	20	30		CCEDRM
C[C@H](C#N)C(=O)N1[C@H](C(=O)NCCC(=O)[O-])CS[C@H]1C	ZINC001589323566	986146589	/nfs/dbraw/zinc/14/65/89/986146589.db2.gz	FRTGJLFUGKGMTA-VGMNWLOBSA-N	-1	0	299.352	0.027	20	30		CCEDRM
C[C@@](C#N)(NC(=O)Cn1nc(C(=O)[O-])nc1Cl)C1CC1	ZINC001589323676	986148877	/nfs/dbraw/zinc/14/88/77/986148877.db2.gz	JTAZUHOCCKQEFY-NSHDSACASA-N	-1	0	297.702	0.438	20	30		CCEDRM
C[C@@H](C#N)C(=O)N[C@H](Cc1cncs1)C(=O)[O-]	ZINC001589329064	986159785	/nfs/dbraw/zinc/15/97/85/986159785.db2.gz	IEZXOTJEEQGDRY-POYBYMJQSA-N	-1	0	253.283	0.415	20	30		CCEDRM
C[C@@H](C#N)OC(=O)[C@H](CC(=O)[O-])NC(=O)OC(C)(C)C	ZINC001589331568	986187325	/nfs/dbraw/zinc/18/73/25/986187325.db2.gz	IOFMFUZTKWRIOK-YUMQZZPRSA-N	-1	0	286.284	0.810	20	30		CCEDRM
C[C@@H](C(=O)NC1(C#N)CCC1)N1CC[C@](F)(C(=O)[O-])C1	ZINC001589388808	986498689	/nfs/dbraw/zinc/49/86/89/986498689.db2.gz	RDRIAGZXUOTMSA-TVQRCGJNSA-N	-1	0	283.303	0.436	20	30		CCEDRM
C[C@H](C(=O)[O-])n1cccc1C=NNCC(C)(C)O	ZINC001589539890	987238409	/nfs/dbraw/zinc/23/84/09/987238409.db2.gz	MQYPTVRGJNMWKF-SECBINFHSA-N	-1	0	253.302	0.828	20	30		CCEDRM
CC[C@H](C)[C@H](NC(C)=O)C(=O)N(CC#N)CCC(=O)[O-]	ZINC001597321947	987451019	/nfs/dbraw/zinc/45/10/19/987451019.db2.gz	NLCAJPFMEYVJNN-CABZTGNLSA-N	-1	0	283.328	0.364	20	30		CCEDRM
C[C@@H]1CN(C(=O)c2cc(C#N)cs2)C[C@@H](C(=O)[O-])O1	ZINC001599862787	989197024	/nfs/dbraw/zinc/19/70/24/989197024.db2.gz	DREDERBCTNBLBP-APPZFPTMSA-N	-1	0	280.305	0.934	20	30		CCEDRM
C[C@@H]1CN(C[C@H](C#N)CCC#N)C[C@@H](C(=O)[O-])O1	ZINC001599866099	989261257	/nfs/dbraw/zinc/26/12/57/989261257.db2.gz	WNYIZNMBNYXYNO-VWYCJHECSA-N	-1	0	251.286	0.604	20	30		CCEDRM
C[C@@H]1C[C@H](C(=O)N[C@@H](C#N)C(C)(C)C)O[C@H]1C(=O)[O-]	ZINC001599874066	989395007	/nfs/dbraw/zinc/39/50/07/989395007.db2.gz	SJIFBSVPTVVJNO-DOLQZWNJSA-N	-1	0	268.313	0.919	20	30		CCEDRM
C[C@]12CN(CC#N)C[C@@]1(C)CN(C(=O)[C@H]1C[C@@H]1C(=O)[O-])C2	ZINC001599883924	989523749	/nfs/dbraw/zinc/52/37/49/989523749.db2.gz	CJCGVGZALKSMLN-LWWSYDQCSA-N	-1	0	291.351	0.401	20	30		CCEDRM
CCn1nncc1/C=C1\CCn2nc(C(=O)[O-])cc2C1=O	ZINC001597976217	990041349	/nfs/dbraw/zinc/04/13/49/990041349.db2.gz	RKWNBDDWAMJPHN-VMPITWQZSA-N	-1	0	287.279	0.863	20	30		CCEDRM
CC(C)(CC#N)CNC(=O)C(=O)N[C@H]1C[C@@H](C(=O)[O-])C1	ZINC001590615020	990285732	/nfs/dbraw/zinc/28/57/32/990285732.db2.gz	GAORMXFVWLONRP-DTORHVGOSA-N	-1	0	281.312	0.022	20	30		CCEDRM
CC(C)(NC(=O)C1CC2(C1)C[NH2+]C[C@@H]2C#N)C(=O)[O-]	ZINC001590840957	990710614	/nfs/dbraw/zinc/71/06/14/990710614.db2.gz	WFVSRTUOEHGJTR-JVVWGOMOSA-N	-1	0	265.313	0.105	20	30		CCEDRM
CN(C)C[C@@](C)(C#N)NC(=O)/C=C\c1ccc(C(=O)[O-])o1	ZINC001598200103	990812045	/nfs/dbraw/zinc/81/20/45/990812045.db2.gz	YYJYFMJKOBNNJK-BRLPQQTGSA-N	-1	0	291.307	0.951	20	30		CCEDRM
CN(C)c1cc(C#N)cc(C(=O)NC[C@@H](O)CC(=O)[O-])c1	ZINC001598287675	991190262	/nfs/dbraw/zinc/19/02/62/991190262.db2.gz	IWWOSXFVRXBIHL-LBPRGKRZSA-N	-1	0	291.307	0.190	20	30		CCEDRM
CSC1([C@H](C#N)N(C)C(=O)[C@H]2CC[C@@H](C(=O)[O-])O2)CC1	ZINC001599783124	992391153	/nfs/dbraw/zinc/39/11/53/992391153.db2.gz	DMFFHVNOWVBHEH-UTLUCORTSA-N	-1	0	298.364	0.865	20	30		CCEDRM
CN(C[C@H](O)CC#N)[C@@H](COC1CCC1)C(=O)[O-]	ZINC001598503136	992462629	/nfs/dbraw/zinc/46/26/29/992462629.db2.gz	GHYZGHLCCDDMIO-KOLCDFICSA-N	-1	0	256.302	0.215	20	30		CCEDRM
CC(C)N(CCC(=O)[O-])C(=O)[C@@H](C)n1cnc(C#N)n1	ZINC001591575460	992786236	/nfs/dbraw/zinc/78/62/36/992786236.db2.gz	CHWWHSZCBSADDH-SECBINFHSA-N	-1	0	279.300	0.422	20	30		CCEDRM
CN(Cc1cn(CC(=O)[O-])nn1)CC(C)(C)C#N	ZINC001598533538	992819547	/nfs/dbraw/zinc/81/95/47/992819547.db2.gz	QGEDOWVWQZNKMW-UHFFFAOYSA-N	-1	0	251.290	0.344	20	30		CCEDRM
CN(Cn1nc(C(=O)[O-])ccc1=O)[C@H]1CCC[C@H]1C#N	ZINC001598540914	992899515	/nfs/dbraw/zinc/89/95/15/992899515.db2.gz	FZWOVXMEFOLXBD-ONGXEEELSA-N	-1	0	276.296	0.523	20	30		CCEDRM
CN1C(=O)CCC[C@@H]1C(=O)N1CCC(C#N)(C(=O)[O-])CC1	ZINC001598547128	992959392	/nfs/dbraw/zinc/95/93/92/992959392.db2.gz	GQGLOCGQCBQKQV-SNVBAGLBSA-N	-1	0	293.323	0.214	20	30		CCEDRM
C[C@H](O)CN(CCO)Cc1cccc(C(=O)[O-])c1C#N	ZINC001593459310	995373135	/nfs/dbraw/zinc/37/31/35/995373135.db2.gz	OYBVQCUDOUUOGK-JTQLQIEISA-N	-1	0	278.308	0.432	20	30		CCEDRM
C[C@H](OC(=O)[C@H]1CC[C@H]1C(=O)[O-])C(=O)N(C)CCC#N	ZINC001593563341	995651410	/nfs/dbraw/zinc/65/14/10/995651410.db2.gz	KDIFOVNLAPNYCN-AEJSXWLSSA-N	-1	0	282.296	0.401	20	30		CCEDRM
COC(=O)[C@@H]1C[C@H](C(=O)[O-])CCN1C(=O)CCCC#N	ZINC001598751159	995655230	/nfs/dbraw/zinc/65/52/30/995655230.db2.gz	UYYVBHKKWVYJPE-ZJUUUORDSA-N	-1	0	282.296	0.545	20	30		CCEDRM
COC(=O)[C@H]1CC[C@@H](C(=O)[O-])N(C(=O)CCCC#N)C1	ZINC001598772155	995893219	/nfs/dbraw/zinc/89/32/19/995893219.db2.gz	FMBCAHNLAFTBOV-UWVGGRQHSA-N	-1	0	282.296	0.545	20	30		CCEDRM
C[C@H](Sc1ccccc1C(=O)N[C@H](C#N)CO)C(=O)[O-]	ZINC001593668672	996065685	/nfs/dbraw/zinc/06/56/85/996065685.db2.gz	HJSWURRMEYYGGO-DTWKUNHWSA-N	-1	0	294.332	0.866	20	30		CCEDRM
C[C@]1(C#N)CN(Cc2cnc(C(=O)[O-])cn2)CCO1	ZINC001593742560	996360652	/nfs/dbraw/zinc/36/06/52/996360652.db2.gz	BEPSQVWAUMEUPE-LBPRGKRZSA-N	-1	0	262.269	0.289	20	30		CCEDRM
C[C@@]1(C#N)CCN(CN2C[C@@H](C(=O)[O-])OC2=O)C1	ZINC001593743231	996366641	/nfs/dbraw/zinc/36/66/41/996366641.db2.gz	SSEJPCWYWZOACE-KWQFWETISA-N	-1	0	253.258	0.085	20	30		CCEDRM
C[C@@]1(C#N)CN(C(=O)NC2CC(C(=O)[O-])C2)CCO1	ZINC001593743608	996369600	/nfs/dbraw/zinc/36/96/00/996369600.db2.gz	WITWTILHWLGVCT-SHVIVCPWSA-N	-1	0	267.285	0.174	20	30		CCEDRM
COC(=O)[C@@H]1CN(c2ncccc2C#N)C[C@@H]1C(=O)[O-]	ZINC001598825793	996381377	/nfs/dbraw/zinc/38/13/77/996381377.db2.gz	FAGPNHBJMNXNAK-VHSXEESVSA-N	-1	0	275.264	0.263	20	30		CCEDRM
COC(=O)[C@H]1CN(c2cc(C#N)cc(C)n2)C[C@H]1C(=O)[O-]	ZINC001598828353	996408568	/nfs/dbraw/zinc/40/85/68/996408568.db2.gz	QYFFFFHHJNZCIE-MNOVXSKESA-N	-1	0	289.291	0.572	20	30		CCEDRM
COC(=O)[C@H]1CN(c2cc(C)ncc2C#N)C[C@H]1C(=O)[O-]	ZINC001598830485	996431269	/nfs/dbraw/zinc/43/12/69/996431269.db2.gz	YBYJQVSCFFVWPF-MNOVXSKESA-N	-1	0	289.291	0.572	20	30		CCEDRM
COC(=O)C[C@@H](NC(=O)CC1(C#N)CCCCC1)C(=O)[O-]	ZINC001598838976	996509194	/nfs/dbraw/zinc/50/91/94/996509194.db2.gz	TXODDODXAGGRPA-SNVBAGLBSA-N	-1	0	296.323	0.983	20	30		CCEDRM
CO[C@@]1(C(=O)[O-])CCN(C[C@H](C#N)CCC#N)C1	ZINC001599076974	996894479	/nfs/dbraw/zinc/89/44/79/996894479.db2.gz	CGUFGLQRMLOOIS-JQWIXIFHSA-N	-1	0	251.286	0.605	20	30		CCEDRM
COC[C@H](OC(=O)Cc1ccccc1CC#N)C(=O)[O-]	ZINC001599180351	996932494	/nfs/dbraw/zinc/93/24/94/996932494.db2.gz	KCCPAMYZFRHUEP-LBPRGKRZSA-N	-1	0	277.276	0.938	20	30		CCEDRM
COC[C@@H](OC(=O)c1ccnc(C#N)c1)C(=O)[O-]	ZINC001599183156	996980299	/nfs/dbraw/zinc/98/02/99/996980299.db2.gz	UWDZVAPZYABURZ-SECBINFHSA-N	-1	0	250.210	0.210	20	30		CCEDRM
COC[C@@H](OC(=O)c1cccc(C#N)n1)C(=O)[O-]	ZINC001599185052	997011824	/nfs/dbraw/zinc/01/18/24/997011824.db2.gz	UGOLYXIDYQGAKT-SECBINFHSA-N	-1	0	250.210	0.210	20	30		CCEDRM
COC[C@@H](OC)C(=O)OCc1cccc(C(=O)[O-])c1C#N	ZINC001599185842	997024176	/nfs/dbraw/zinc/02/41/76/997024176.db2.gz	DDOZDVBLFYEFOR-GFCCVEGCSA-N	-1	0	293.275	0.961	20	30		CCEDRM
COC[C@H](OC)C(=O)OCc1cccc(C(=O)[O-])c1C#N	ZINC001599185843	997024369	/nfs/dbraw/zinc/02/43/69/997024369.db2.gz	DDOZDVBLFYEFOR-LBPRGKRZSA-N	-1	0	293.275	0.961	20	30		CCEDRM
COC[C@]1(C(=O)[O-])CCCN1C(=O)c1c[nH]c(C#N)c1	ZINC001599189962	997104481	/nfs/dbraw/zinc/10/44/81/997104481.db2.gz	FBBYBBUYTCKNSZ-ZDUSSCGKSA-N	-1	0	277.280	0.592	20	30		CCEDRM
COc1ccc(C(=O)[O-])cc1S(=O)(=O)N(C)[C@H](C)C#N	ZINC001599501930	997139055	/nfs/dbraw/zinc/13/90/55/997139055.db2.gz	UDTWLCRWQWYPBP-MRVPVSSYSA-N	-1	0	298.320	0.926	20	30		CCEDRM
COCC[C@@H](C)S(=O)(=O)N(CC#N)CCC(=O)[O-]	ZINC001599213255	997539422	/nfs/dbraw/zinc/53/94/22/997539422.db2.gz	YHHRVVWQDJENAN-SECBINFHSA-N	-1	0	278.330	0.041	20	30		CCEDRM
CON=CC(=O)N1C[C@@H](c2ccc(O)cc2)[C@H](C(=O)[O-])C1	ZINC001599319459	997555546	/nfs/dbraw/zinc/55/55/46/997555546.db2.gz	BHVIXGOHWVJAFM-NWDGAFQWSA-N	-1	0	292.291	0.651	20	30		CCEDRM
COCC[C@@H](NC(=O)C#Cc1cccs1)C(=O)[O-]	ZINC001599214368	997556087	/nfs/dbraw/zinc/55/60/87/997556087.db2.gz	UZXGHKCMGQOBIP-SNVBAGLBSA-N	-1	0	267.306	0.706	20	30		CCEDRM
CON=CC(=O)N[C@@H](CC1CCOCC1)C(=O)[O-]	ZINC001599319806	997560512	/nfs/dbraw/zinc/56/05/12/997560512.db2.gz	HIFXUBNCAFPTHI-VIFPVBQESA-N	-1	0	258.274	0.005	20	30		CCEDRM
CON=CC(=O)N[C@H](CC(=O)[O-])c1ccncc1	ZINC001599319795	997561050	/nfs/dbraw/zinc/56/10/50/997561050.db2.gz	HCPNCFLEYXLKKW-SECBINFHSA-N	-1	0	251.242	0.346	20	30		CCEDRM
CON=CC(=O)N[C@@](C)(CC(=O)[O-])c1ccccn1	ZINC001599320007	997564734	/nfs/dbraw/zinc/56/47/34/997564734.db2.gz	KLNRCVPJULXWGR-LBPRGKRZSA-N	-1	0	265.269	0.520	20	30		CCEDRM
CON=CC(=O)N1CCC[C@@H](C(C)(C)C(=O)[O-])C1	ZINC001599320575	997573244	/nfs/dbraw/zinc/57/32/44/997573244.db2.gz	QNBUVLFUDWOSCW-SECBINFHSA-N	-1	0	256.302	0.968	20	30		CCEDRM
COCCN(CCC#N)C[C@H]1[C@H](C(=O)[O-])C1(F)F	ZINC001599235888	997945312	/nfs/dbraw/zinc/94/53/12/997945312.db2.gz	WCLIOZXIUNEGTM-DTWKUNHWSA-N	-1	0	262.256	0.814	20	30		CCEDRM
CO[C@H]1CN([C@H](C(=O)[O-])c2ccc(C#N)cc2)CCO1	ZINC001599131140	997946589	/nfs/dbraw/zinc/94/65/89/997946589.db2.gz	NFGABEDWRCFSSQ-OLZOCXBDSA-N	-1	0	276.292	0.989	20	30		CCEDRM
COc1cc(C#N)ccc1C(=O)NC1(C(=O)[O-])CC1	ZINC001599348992	998060848	/nfs/dbraw/zinc/06/08/48/998060848.db2.gz	FQIHBNLUGDDWDM-UHFFFAOYSA-N	-1	0	260.249	0.914	20	30		CCEDRM
COCC#CC(=O)N1CCc2ccc(C(=O)[O-])cc21	ZINC001599137833	998074102	/nfs/dbraw/zinc/07/41/02/998074102.db2.gz	DQSILRMBCGZLGR-UHFFFAOYSA-N	-1	0	259.261	0.924	20	30		CCEDRM
COCC#CC(=O)N1CC[C@H](c2ncc(C(=O)[O-])s2)C1	ZINC001599139752	998107948	/nfs/dbraw/zinc/10/79/48/998107948.db2.gz	YETGWGMUQDQOQE-VIFPVBQESA-N	-1	0	294.332	0.807	20	30		CCEDRM
COCC#CCN(C)[C@@H](COC1CCC1)C(=O)[O-]	ZINC001599139898	998110434	/nfs/dbraw/zinc/11/04/34/998110434.db2.gz	ZSJHVAVKFGFSHV-LBPRGKRZSA-N	-1	0	255.314	0.590	20	30		CCEDRM
COC[C@@](C)(NCC(=O)N[C@](C)(C#N)C(C)C)C(=O)[O-]	ZINC001599154335	998343576	/nfs/dbraw/zinc/34/35/76/998343576.db2.gz	KWIZFQRXENKZCT-CHWSQXEVSA-N	-1	0	285.344	0.120	20	30		CCEDRM
COC[C@@H](C)[C@H](C)C(=O)N(CC#N)CCC(=O)[O-]	ZINC001599157202	998393085	/nfs/dbraw/zinc/39/30/85/998393085.db2.gz	AUMIELVPFALZFG-ZJUUUORDSA-N	-1	0	256.302	0.732	20	30		CCEDRM
CO[C@@]1(C(=O)[O-])CCN(C(=O)NCC2(C#N)CCC2)C1	ZINC001599072474	999342889	/nfs/dbraw/zinc/34/28/89/999342889.db2.gz	NKVAFQSGJUJXFY-ZDUSSCGKSA-N	-1	0	281.312	0.565	20	30		CCEDRM
N#Cc1cc([N+](=O)[O-])cnc1Sc1n[nH]c(=O)[n-]1	ZINC000337944135	214323686	/nfs/dbraw/zinc/32/36/86/214323686.db2.gz	DUTRZLXMLRKHSU-UHFFFAOYSA-N	-1	0	264.226	0.836	20	30		CCEDRM
N#Cc1csc(C(=O)[N-]N2CCCNC2=O)c1	ZINC000273127782	192050644	/nfs/dbraw/zinc/05/06/44/192050644.db2.gz	UMMTYWLCWOZZQV-UHFFFAOYSA-N	-1	0	250.283	0.680	20	30		CCEDRM
C[C@@H](C#N)CN(C)S(=O)(=O)N(C)[C@H]1C[C@@H](C(=O)[O-])C1	ZINC000600657941	362027341	/nfs/dbraw/zinc/02/73/41/362027341.db2.gz	MRLUAYSRIOOVFK-LPEHRKFASA-N	-1	0	289.357	0.118	20	30		CCEDRM
CCn1ncc(C#N)c1[N-]S(=O)(=O)c1cnc(C)n1C	ZINC000600667298	362028314	/nfs/dbraw/zinc/02/83/14/362028314.db2.gz	YBTYGJMPVQPXRU-UHFFFAOYSA-N	-1	0	294.340	0.617	20	30		CCEDRM
C=C(C)C[C@H](NC(=O)c1nn(C)cc1[N+](=O)[O-])C(=O)[O-]	ZINC000600871041	362083767	/nfs/dbraw/zinc/08/37/67/362083767.db2.gz	BOYKMSYNOPOUID-ZETCQYMHSA-N	-1	0	282.256	0.478	20	30		CCEDRM
N#CC1CN(S(=O)(=O)c2cc([O-])cc(F)c2)C1	ZINC000601420707	362265222	/nfs/dbraw/zinc/26/52/22/362265222.db2.gz	FOZWMJICDMTDHH-UHFFFAOYSA-N	-1	0	256.258	0.675	20	30		CCEDRM
CON1CCC(C(=O)N=c2[nH][n-]c(C3CC3)c2C#N)CC1	ZINC000601738211	362373697	/nfs/dbraw/zinc/37/36/97/362373697.db2.gz	PBWAEHHATIZUSI-UHFFFAOYSA-N	-1	0	289.339	0.793	20	30		CCEDRM
CC(=O)Nc1c(C)[n-]n(Cc2ccc(C#N)cc2)c1=O	ZINC000601944492	362432567	/nfs/dbraw/zinc/43/25/67/362432567.db2.gz	HROVAHBZLMUTMZ-ZDUSSCGKSA-N	-1	0	270.292	0.781	20	30		CCEDRM
CCN(C[C@H](C)C#N)C(=O)CCCc1nnn[n-]1	ZINC000602068948	362471789	/nfs/dbraw/zinc/47/17/89/362471789.db2.gz	CDPMCOQVLWVFHY-SECBINFHSA-N	-1	0	250.306	0.531	20	30		CCEDRM
C=C[C@@H]1CCCCN1C(=O)Cn1cc(C#N)c(=O)[n-]c1=O	ZINC000602138597	362518905	/nfs/dbraw/zinc/51/89/05/362518905.db2.gz	CHGNBUSYDNDSGI-LLVKDONJSA-N	-1	0	288.307	0.388	20	30		CCEDRM
CC1=CCN(C(=O)CCn2cc(C#N)c(=O)[n-]c2=O)CC1	ZINC000602127195	362506086	/nfs/dbraw/zinc/50/60/86/362506086.db2.gz	RENMWPLODKCVNC-UHFFFAOYSA-N	-1	0	288.307	0.389	20	30		CCEDRM
CCN(C(=O)Cn1cc(C#N)c(=O)[n-]c1=O)[C@@H](C)C(C)C	ZINC000602151078	362527406	/nfs/dbraw/zinc/52/74/06/362527406.db2.gz	GTXPFOVDBOIJNE-JTQLQIEISA-N	-1	0	292.339	0.714	20	30		CCEDRM
N#Cc1ccc(S(=O)(=O)N2CCC[C@H]2C(=O)[O-])c(F)c1	ZINC000097230077	185569236	/nfs/dbraw/zinc/56/92/36/185569236.db2.gz	OSFXNFOBXZDSKK-JTQLQIEISA-N	-1	0	298.295	0.935	20	30		CCEDRM
CN(CC(=O)[O-])S(=O)(=O)c1cc(C#N)ccc1Cl	ZINC000130612334	136834062	/nfs/dbraw/zinc/83/40/62/136834062.db2.gz	AVBRJBDEIQRPAY-UHFFFAOYSA-N	-1	0	288.712	0.917	20	30		CCEDRM
Cc1ncc(S(=O)(=O)N(C)C[C@H](C)C(=O)[O-])cc1C#N	ZINC000261726146	137017175	/nfs/dbraw/zinc/01/71/75/137017175.db2.gz	KVDWHRLHUZEKJA-QMMMGPOBSA-N	-1	0	297.336	0.603	20	30		CCEDRM
CN(CCC(=O)[O-])S(=O)(=O)c1ccccc1C#N	ZINC000037932465	348219770	/nfs/dbraw/zinc/21/97/70/348219770.db2.gz	BMBYIYBHHCZXME-UHFFFAOYSA-N	-1	0	268.294	0.653	20	30		CCEDRM
C=C(C)CN(CC)S(=O)(=O)c1n[nH]cc1C(=O)[O-]	ZINC000037731781	348199938	/nfs/dbraw/zinc/19/99/38/348199938.db2.gz	WTBBDRNAWGAKSQ-UHFFFAOYSA-N	-1	0	273.314	0.695	20	30		CCEDRM
Cc1noc(CCCC(=O)Nc2nc(C#N)c(C#N)[n-]2)n1	ZINC000052557109	348511432	/nfs/dbraw/zinc/51/14/32/348511432.db2.gz	CIRUPESQBVQQLZ-UHFFFAOYSA-N	-1	0	285.267	0.806	20	30		CCEDRM
Cc1ccc(C#N)cc1S(=O)(=O)[N-]c1nnc[nH]1	ZINC000070430752	348888982	/nfs/dbraw/zinc/88/89/82/348888982.db2.gz	SFKVCDNEPLQDLH-UHFFFAOYSA-N	-1	0	263.282	0.786	20	30		CCEDRM
N#Cc1cc(O)cc(C(=O)N[C@@H](CO)C[NH+]2CCCC2)c1	ZINC000603051420	362946893	/nfs/dbraw/zinc/94/68/93/362946893.db2.gz	CWKUNZSFRCYVFB-CYBMUJFWSA-N	-1	0	289.335	0.450	20	30		CCEDRM
CC1CCN(S(=O)(=O)[N-]c2nn(C)cc2C#N)CC1	ZINC000131951091	350293145	/nfs/dbraw/zinc/29/31/45/350293145.db2.gz	CLOJBCSIIWFQEN-UHFFFAOYSA-N	-1	0	283.357	0.680	20	30		CCEDRM
N#Cc1cccc(NC(=O)CS(=O)(=O)c2ncc[n-]2)c1	ZINC000172879606	351014656	/nfs/dbraw/zinc/01/46/56/351014656.db2.gz	GBVNMSGHFBYXJY-UHFFFAOYSA-N	-1	0	290.304	0.694	20	30		CCEDRM
CC[C@@H](NS(=O)(=O)c1ccc(C#N)s1)C(=O)[O-]	ZINC000230323491	352111451	/nfs/dbraw/zinc/11/14/51/352111451.db2.gz	JWZBDSPKMHFDPV-SSDOTTSWSA-N	-1	0	274.323	0.761	20	30		CCEDRM
N#Cc1ccc(S(=O)(=O)N[C@@H](C(=O)[O-])C2CC2)s1	ZINC000230324493	352111459	/nfs/dbraw/zinc/11/14/59/352111459.db2.gz	VOWQVSGKYUULIJ-SECBINFHSA-N	-1	0	286.334	0.761	20	30		CCEDRM
CC1(NS(=O)(=O)c2cccnc2C#N)CCOCC1	ZINC000232807880	352147381	/nfs/dbraw/zinc/14/73/81/352147381.db2.gz	GPKSBMZZAWPTGD-UHFFFAOYSA-N	-1	0	281.337	0.801	20	30		CCEDRM
CCCC[C@@H](NS(=O)(=O)c1ccc(C#N)nc1)C(=O)[O-]	ZINC000132361304	187623401	/nfs/dbraw/zinc/62/34/01/187623401.db2.gz	NUVXOTGYRDFURC-LLVKDONJSA-N	-1	0	297.336	0.875	20	30		CCEDRM
CC#CC[C@@H](NS(=O)(=O)CCC1CC1)C(=O)[O-]	ZINC000274976793	353177128	/nfs/dbraw/zinc/17/71/28/353177128.db2.gz	JEPMXBGBVPQXQR-SNVBAGLBSA-N	-1	0	259.327	0.573	20	30		CCEDRM
CC#CC[C@@H](NS(=O)(=O)N(C)CCC)C(=O)[O-]	ZINC000275003116	353178945	/nfs/dbraw/zinc/17/89/45/353178945.db2.gz	MCDCCJKMOSDGEQ-SECBINFHSA-N	-1	0	262.331	0.029	20	30		CCEDRM
CC#CC[C@H](NS(=O)(=O)N1CCCCC1)C(=O)[O-]	ZINC000275024256	353180232	/nfs/dbraw/zinc/18/02/32/353180232.db2.gz	PDPYDRULERXDRU-JTQLQIEISA-N	-1	0	274.342	0.173	20	30		CCEDRM
CC1CCN(C(=O)C(=O)Nc2nc(C#N)c(C#N)[n-]2)CC1	ZINC000283028600	353474807	/nfs/dbraw/zinc/47/48/07/353474807.db2.gz	UFMRIEAHJSXVNI-UHFFFAOYSA-N	-1	0	286.295	0.350	20	30		CCEDRM
N#Cc1ccc(S(=O)(=O)NC2(C(=O)[O-])CCC2)o1	ZINC000287500977	353650438	/nfs/dbraw/zinc/65/04/38/353650438.db2.gz	LHPGIURVZJXWGG-UHFFFAOYSA-N	-1	0	270.266	0.437	20	30		CCEDRM
N#Cc1ccc(S(=O)(=O)N[C@H]2CC[C@H](CO)CC2)o1	ZINC000287920892	353675660	/nfs/dbraw/zinc/67/56/60/353675660.db2.gz	UMAJLUQIILEUTM-MGCOHNPYSA-N	-1	0	284.337	0.981	20	30		CCEDRM
CC(=O)N1CC[C@@](C)(C(=O)N=c2[nH][n-]c(C)c2C#N)C1	ZINC000557815964	291045482	/nfs/dbraw/zinc/04/54/82/291045482.db2.gz	OOJLPUKXTWLPEG-CYBMUJFWSA-N	-1	0	275.312	0.209	20	30		CCEDRM
CO[C@]1(C)CCCN(C(=O)N=c2[n-]n(C)cc2C#N)C1	ZINC000619320126	366235530	/nfs/dbraw/zinc/23/55/30/366235530.db2.gz	MBIOMJUUJBKREG-CYBMUJFWSA-N	-1	0	277.328	0.746	20	30		CCEDRM
CO[C@@]1(C)CCCN(C(=O)N=c2[n-]n(C)cc2C#N)C1	ZINC000619320127	366235959	/nfs/dbraw/zinc/23/59/59/366235959.db2.gz	MBIOMJUUJBKREG-ZDUSSCGKSA-N	-1	0	277.328	0.746	20	30		CCEDRM
N#Cc1ccc(S(=O)(=O)N[C@H]2C=C[C@H](C(=O)[O-])C2)o1	ZINC000558473389	291057711	/nfs/dbraw/zinc/05/77/11/291057711.db2.gz	PQPULWAFKOPCDK-YUMQZZPRSA-N	-1	0	282.277	0.459	20	30		CCEDRM
N#Cc1nc(NC(=O)[C@@H]2C[C@@H]2C(F)F)[n-]c1C#N	ZINC000338368063	355333726	/nfs/dbraw/zinc/33/37/26/355333726.db2.gz	UOSYTHHOKSYYKY-CRCLSJGQSA-N	-1	0	251.196	0.993	20	30		CCEDRM
Cc1ncc2n1CC[C@@H](C(=O)Nc1nc(C#N)c(C#N)[n-]1)C2	ZINC000352609958	356029201	/nfs/dbraw/zinc/02/92/01/356029201.db2.gz	MLVVGSXAZYHEBM-SECBINFHSA-N	-1	0	295.306	0.859	20	30		CCEDRM
N#Cc1cccc(CCNC(=O)c2n[nH]c(=O)[n-]2)c1	ZINC000619623788	366303502	/nfs/dbraw/zinc/30/35/02/366303502.db2.gz	XRJOJIZLVXPMDL-UHFFFAOYSA-N	-1	0	257.253	0.354	20	30		CCEDRM
C=C[C@H](Sc1n[n-]c(=NCCOC)s1)C(=O)OC	ZINC000619686987	366321738	/nfs/dbraw/zinc/32/17/38/366321738.db2.gz	FZSINNLKLZMHED-ZETCQYMHSA-N	-1	0	289.382	0.838	20	30		CCEDRM
COCC1(C(=O)N=c2[nH][n-]c(C)c2C#N)CCOCC1	ZINC000356158330	356713414	/nfs/dbraw/zinc/71/34/14/356713414.db2.gz	AAWJRPZUBSKRPL-UHFFFAOYSA-N	-1	0	278.312	0.393	20	30		CCEDRM
CCc1cc(CNC(=O)N=c2[n-]n(C)cc2C#N)on1	ZINC000610562968	363577697	/nfs/dbraw/zinc/57/76/97/363577697.db2.gz	MQYNUHVXKXASNJ-UHFFFAOYSA-N	-1	0	274.284	0.586	20	30		CCEDRM
Cn1cc(C#N)c(=NC(=O)N[C@@H](CO)Cc2ccccc2)[n-]1	ZINC000610527765	363573024	/nfs/dbraw/zinc/57/30/24/363573024.db2.gz	GIKRTWDNPJLKHY-CYBMUJFWSA-N	-1	0	299.334	0.439	20	30		CCEDRM
Cn1cc(C#N)c(=NC(=O)NCc2cccc3c2OCO3)[n-]1	ZINC000610564996	363579812	/nfs/dbraw/zinc/57/98/12/363579812.db2.gz	XXWYPCYGDHEYTB-UHFFFAOYSA-N	-1	0	299.290	0.764	20	30		CCEDRM
N#CCCCS(=O)(=O)N1CCCCC[C@@H]1C(=O)[O-]	ZINC000368409440	357332141	/nfs/dbraw/zinc/33/21/41/357332141.db2.gz	DRFLEHPSPQYZHL-SNVBAGLBSA-N	-1	0	274.342	0.949	20	30		CCEDRM
Cc1[n-][nH]c(=NC(=O)c2occ3c2CCOC3)c1C#N	ZINC000377217234	357554462	/nfs/dbraw/zinc/55/44/62/357554462.db2.gz	KPEOUVPCRIQZHN-UHFFFAOYSA-N	-1	0	272.264	0.930	20	30		CCEDRM
C[C@@H](Oc1ccc(C#N)cc1)C(=O)N=c1[nH][n-]cc1C#N	ZINC000610620446	363587470	/nfs/dbraw/zinc/58/74/70/363587470.db2.gz	FAGJHLUVPXRDBZ-SECBINFHSA-N	-1	0	281.275	0.981	20	30		CCEDRM
CO[C@@H]1C[C@H](NC(=O)N=c2[n-]n(C)cc2C#N)C1(C)C	ZINC000610652610	363590769	/nfs/dbraw/zinc/59/07/69/363590769.db2.gz	ZHPPRIMRBDUTKU-VHSXEESVSA-N	-1	0	277.328	0.649	20	30		CCEDRM
C[C@@H]1C[C@@H](C(=O)N=c2[nH][n-]c(C3CC3)c2C#N)CO1	ZINC000408174575	357953975	/nfs/dbraw/zinc/95/39/75/357953975.db2.gz	SDDUXYJLCGIVCZ-VXNVDRBHSA-N	-1	0	260.297	0.944	20	30		CCEDRM
Cn1cc(C#N)c(=NC(=O)NC[C@@H]2CCCS2)[n-]1	ZINC000610698549	363600651	/nfs/dbraw/zinc/60/06/51/363600651.db2.gz	SESHZMKBINBOHX-VIFPVBQESA-N	-1	0	265.342	0.731	20	30		CCEDRM
N#Cc1cnc([N-]S(=O)(=O)c2ccc(C#N)nc2)s1	ZINC000610725332	363604370	/nfs/dbraw/zinc/60/43/70/363604370.db2.gz	WMJIEXYSGIDBKW-UHFFFAOYSA-N	-1	0	291.317	0.504	20	30		CCEDRM
N#Cc1cnc([N-]S(=O)(=O)c2ccoc2)s1	ZINC000586753016	359284430	/nfs/dbraw/zinc/28/44/30/359284430.db2.gz	DKXNGQCYZXYICD-UHFFFAOYSA-N	-1	0	255.280	0.830	20	30		CCEDRM
Cc1n[nH]c(C(=O)NC2(C#N)CCOCC2)c1[O-]	ZINC000610989500	363642343	/nfs/dbraw/zinc/64/23/43/363642343.db2.gz	UKNIQNQBRUXIJW-UHFFFAOYSA-N	-1	0	250.258	0.226	20	30		CCEDRM
CN(C)c1cccnc1CNC(=O)N=c1[n-]n(C)cc1C#N	ZINC000589332578	359378808	/nfs/dbraw/zinc/37/88/08/359378808.db2.gz	LOGGYLRKTWJAEB-UHFFFAOYSA-N	-1	0	299.338	0.496	20	30		CCEDRM
Cn1cc(C#N)c(=NC(=O)c2cnc3n2CCCC3)[n-]1	ZINC000611008405	363647631	/nfs/dbraw/zinc/64/76/31/363647631.db2.gz	KJVHOXIQFXGOAJ-UHFFFAOYSA-N	-1	0	270.296	0.499	20	30		CCEDRM
Cc1[n-][nH]c(=NC(=O)c2ccc(N(C)C)nc2)c1C#N	ZINC000588714678	359333008	/nfs/dbraw/zinc/33/30/08/359333008.db2.gz	GIQWLVKZYUXOKE-UHFFFAOYSA-N	-1	0	270.296	0.725	20	30		CCEDRM
CN(CC(C)(C)C#N)C(=O)N=c1[n-]n(C)cc1C#N	ZINC000590121552	359425334	/nfs/dbraw/zinc/42/53/34/359425334.db2.gz	MQLGLRVBTPSMRU-UHFFFAOYSA-N	-1	0	260.301	0.727	20	30		CCEDRM
CC[C@@](C)(CNC(=O)N=c1[n-]n(C)cc1C#N)OC	ZINC000590819508	359527072	/nfs/dbraw/zinc/52/70/72/359527072.db2.gz	LSTMKICINKIYAR-LBPRGKRZSA-N	-1	0	265.317	0.650	20	30		CCEDRM
COCCN(CC(=O)[O-])S(=O)(=O)CC1(CC#N)CC1	ZINC000591350321	359580269	/nfs/dbraw/zinc/58/02/69/359580269.db2.gz	LDZFSOAKAFOUMP-UHFFFAOYSA-N	-1	0	290.341	0.043	20	30		CCEDRM
N#Cc1ccc(S(=O)(=O)NC[C@H]2CCC[C@H]2C(=O)[O-])o1	ZINC000296902560	200030036	/nfs/dbraw/zinc/03/00/36/200030036.db2.gz	JLBSQXWIKMAEIR-PSASIEDQSA-N	-1	0	298.320	0.930	20	30		CCEDRM
CCc1nnc([C@H](C)NC(=O)N=c2[n-]n(C)cc2C#N)[nH]1	ZINC000611195591	363678898	/nfs/dbraw/zinc/67/88/98/363678898.db2.gz	OFVCQSNPCDTKAZ-ZETCQYMHSA-N	-1	0	288.315	0.277	20	30		CCEDRM
CC[C@@H](C(=O)N=c1[n-]n(C)c(C)c1C#N)N1CCCC1=O	ZINC000592645836	359908240	/nfs/dbraw/zinc/90/82/40/359908240.db2.gz	HCHAGEQWAFNPRA-NSHDSACASA-N	-1	0	289.339	0.362	20	30		CCEDRM
C[C@@H]1C[C@@H](CNC(=O)N=c2[n-]n(C)cc2C#N)CCO1	ZINC000611303355	363705065	/nfs/dbraw/zinc/70/50/65/363705065.db2.gz	XUIRMNIIPUXGBN-ZJUUUORDSA-N	-1	0	277.328	0.650	20	30		CCEDRM
N#CC[C@@]1(O)CCN(C(=O)c2ccc([N+](=O)[O-])cc2[O-])C1	ZINC000592848319	359953305	/nfs/dbraw/zinc/95/33/05/359953305.db2.gz	VZIROTBBYBLSDQ-CYBMUJFWSA-N	-1	0	291.263	0.791	20	30		CCEDRM
N#CC[C@]1(O)CCN(C(=O)c2cccc([N+](=O)[O-])c2[O-])C1	ZINC000592847075	359953693	/nfs/dbraw/zinc/95/36/93/359953693.db2.gz	ISQMGICCKZIEBF-ZDUSSCGKSA-N	-1	0	291.263	0.791	20	30		CCEDRM
N#CCCn1ccc(=NC(=O)NC2(CC(=O)[O-])CCC2)[nH]1	ZINC000593014381	360014222	/nfs/dbraw/zinc/01/42/22/360014222.db2.gz	JYIBLYKGWVDYPD-UHFFFAOYSA-N	-1	0	291.311	0.738	20	30		CCEDRM
C[C@H](CC#N)N(C)S(=O)(=O)N(CC(=O)[O-])CC1CC1	ZINC000593222720	360052563	/nfs/dbraw/zinc/05/25/63/360052563.db2.gz	SUEVHDLTOGQLLA-SECBINFHSA-N	-1	0	289.357	0.262	20	30		CCEDRM
CC(C)(C#N)c1ccc(S(=O)(=O)NCC(=O)[O-])cc1	ZINC000593217444	360052849	/nfs/dbraw/zinc/05/28/49/360052849.db2.gz	JUQDTANOVTVIMR-UHFFFAOYSA-N	-1	0	282.321	0.851	20	30		CCEDRM
C[C@H](C(=O)[O-])C1(NS(=O)(=O)c2ccc(C#N)nc2)CC1	ZINC000593272722	360058829	/nfs/dbraw/zinc/05/88/29/360058829.db2.gz	ARWNDBHPYPAOFH-MRVPVSSYSA-N	-1	0	295.320	0.485	20	30		CCEDRM
CC[C@H](C#N)C(=O)Nc1ccc([O-])c(S(=O)(=O)NC)c1	ZINC000593894557	360197142	/nfs/dbraw/zinc/19/71/42/360197142.db2.gz	QJJZPWVLPNXGTB-MRVPVSSYSA-N	-1	0	297.336	0.789	20	30		CCEDRM
N#Cc1cncc(S(=O)(=O)N(CC(=O)[O-])C2CCC2)c1	ZINC000593945861	360221123	/nfs/dbraw/zinc/22/11/23/360221123.db2.gz	ZPAGOXZBHRJQIZ-UHFFFAOYSA-N	-1	0	295.320	0.581	20	30		CCEDRM
CO[C@@H]1CCC[C@@H]1CNC(=O)N=c1[n-]n(C)cc1C#N	ZINC000611388938	363712753	/nfs/dbraw/zinc/71/27/53/363712753.db2.gz	XLGMKEKFAGTYKD-MWLCHTKSSA-N	-1	0	277.328	0.650	20	30		CCEDRM
Cc1[nH]nc(C(=O)N2CCSC[C@H]2C#N)c1[O-]	ZINC000611407415	363713973	/nfs/dbraw/zinc/71/39/73/363713973.db2.gz	IRAFOEGVEHHALB-SSDOTTSWSA-N	-1	0	252.299	0.505	20	30		CCEDRM
N#Cc1ccc(CCNC(=O)N[C@@H](CF)C(=O)[O-])cc1	ZINC000594690149	360361033	/nfs/dbraw/zinc/36/10/33/360361033.db2.gz	GAYBTKYXKLQFGV-NSHDSACASA-N	-1	0	279.271	0.823	20	30		CCEDRM
CC[C@H](NC(=O)CC1(C#N)CCOCC1)C(=O)[O-]	ZINC000595281588	360477195	/nfs/dbraw/zinc/47/71/95/360477195.db2.gz	NZCYUYXKPORVMD-VIFPVBQESA-N	-1	0	254.286	0.676	20	30		CCEDRM
CC[C@H](CC#N)NC(=O)C(=O)Nc1cccnc1C(=O)[O-]	ZINC000595238145	360453932	/nfs/dbraw/zinc/45/39/32/360453932.db2.gz	OMNQKZJNFBQTDU-MRVPVSSYSA-N	-1	0	290.279	0.527	20	30		CCEDRM
C[C@]1(C#N)CCN(C(=O)NCC2(C(=O)[O-])CCOCC2)C1	ZINC000595263083	360465506	/nfs/dbraw/zinc/46/55/06/360465506.db2.gz	NJUCAMKNZUXZOO-CYBMUJFWSA-N	-1	0	295.339	0.813	20	30		CCEDRM
N#Cc1ccc(N2C[C@@H]3COC[C@]3(C(=O)[O-])C2)cn1	ZINC000595968540	360742524	/nfs/dbraw/zinc/74/25/24/360742524.db2.gz	UPJRLTMGFAYGJA-NOZJJQNGSA-N	-1	0	259.265	0.491	20	30		CCEDRM
CCOC(=O)c1cc(=NC(=O)[C@@H](C)CC#N)[nH][n-]1	ZINC000597480167	361109440	/nfs/dbraw/zinc/10/94/40/361109440.db2.gz	MWIWEOKXXYEDCK-ZETCQYMHSA-N	-1	0	250.258	0.497	20	30		CCEDRM
Cc1nc(CN(C)C(=O)N=c2[n-]n(C)cc2C#N)no1	ZINC000611596418	363748854	/nfs/dbraw/zinc/74/88/54/363748854.db2.gz	LBYJUYPURFSELG-UHFFFAOYSA-N	-1	0	275.272	0.069	20	30		CCEDRM
N#CC1(C(=O)N2CCSC[C@@H](C(=O)[O-])C2)CCOCC1	ZINC000598659983	361475355	/nfs/dbraw/zinc/47/53/55/361475355.db2.gz	JNOUAESGGDGXNZ-JTQLQIEISA-N	-1	0	298.364	0.583	20	30		CCEDRM
CCCn1nccc1C(=O)N=c1[n-]n(C)c(C)c1C#N	ZINC000598846055	361525824	/nfs/dbraw/zinc/52/58/24/361525824.db2.gz	SXHVGCZLKSZMNP-UHFFFAOYSA-N	-1	0	272.312	0.881	20	30		CCEDRM
C=CCCC[N-]S(=O)(=O)c1cc(C(=O)OC)no1	ZINC000599293615	361638087	/nfs/dbraw/zinc/63/80/87/361638087.db2.gz	UXGMDNFXOFBXGF-UHFFFAOYSA-N	-1	0	274.298	0.706	20	30		CCEDRM
Cn1cc(C#N)c(=NC(=O)N[C@@]2(C)CCO[C@@H]2C2CC2)[n-]1	ZINC000612313733	363883189	/nfs/dbraw/zinc/88/31/89/363883189.db2.gz	XVUUOAQBBSWDNH-RISCZKNCSA-N	-1	0	289.339	0.793	20	30		CCEDRM
C=C[C@H]1CCCCN1C(=O)C(=O)NC[C@H](C)C(=O)[O-]	ZINC000656003858	412730875	/nfs/dbraw/zinc/73/08/75/412730875.db2.gz	KGGVHHNNLKLBLC-UWVGGRQHSA-N	-1	0	268.313	0.390	20	30		CCEDRM
C=CCN(C)C(=O)C(=O)N[C@H](C)[C@@H]1C[C@H](C(=O)[O-])C1(C)C	ZINC000656016173	412733424	/nfs/dbraw/zinc/73/34/24/412733424.db2.gz	UTGWZHGLNJWTET-OUAUKWLOSA-N	-1	0	296.367	0.882	20	30		CCEDRM
CC[C@@]1(CO)CCCN(C(=O)N=c2[n-]n(C)cc2C#N)C1	ZINC000614688609	364698161	/nfs/dbraw/zinc/69/81/61/364698161.db2.gz	UFIRIRIEZYHMTJ-CQSZACIVSA-N	-1	0	291.355	0.730	20	30		CCEDRM
C[C@@H](C(=O)[O-])C(=O)N1CCN(c2cc(C#N)ccn2)CC1	ZINC000564954178	291325035	/nfs/dbraw/zinc/32/50/35/291325035.db2.gz	LXDIMSZIRZLOPL-SNVBAGLBSA-N	-1	0	288.307	0.323	20	30		CCEDRM
CC(C)(C)n1cnc(=NC(=O)N2CC[C@@](F)(C#N)C2)[n-]1	ZINC000615550870	365003311	/nfs/dbraw/zinc/00/33/11/365003311.db2.gz	YDXDGPZTALLYEI-GFCCVEGCSA-N	-1	0	280.307	0.924	20	30		CCEDRM
C=CCCS(=O)(=O)N1C[C@H](OC)C[C@H]1CC(=O)[O-]	ZINC000576582594	335218564	/nfs/dbraw/zinc/21/85/64/335218564.db2.gz	VDQGDQUFEOHPCS-VHSXEESVSA-N	-1	0	277.342	0.456	20	30		CCEDRM
N#CCCCS(=O)(=O)NC[C@H]1CCC[C@H]1C(=O)[O-]	ZINC000574161664	334997176	/nfs/dbraw/zinc/99/71/76/334997176.db2.gz	VGNSSWRCGUBYIX-NXEZZACHSA-N	-1	0	274.342	0.710	20	30		CCEDRM
C=CC(C)(C)CCNC(=O)C(=O)NCCCC(=O)[O-]	ZINC000627276501	368941626	/nfs/dbraw/zinc/94/16/26/368941626.db2.gz	GWMUJZFNQPCUBY-UHFFFAOYSA-N	-1	0	270.329	0.686	20	30		CCEDRM
C=C(C)CS(=O)(=O)N1CC[C@H](C(=O)[O-])C(F)(F)C1	ZINC000574269260	335005152	/nfs/dbraw/zinc/00/51/52/335005152.db2.gz	ALDOQDWEHLRTSR-MRVPVSSYSA-N	-1	0	283.296	0.934	20	30		CCEDRM
C=CCCS(=O)(=O)N[C@@H](C[C@H]1CCCOC1)C(=O)[O-]	ZINC000629338710	369635199	/nfs/dbraw/zinc/63/51/99/369635199.db2.gz	PZNRWQOMDSAJJM-MNOVXSKESA-N	-1	0	291.369	0.752	20	30		CCEDRM
C=CCCCN(C)C(=O)C(=O)N1CC[C@H](C(=O)[O-])[C@H](C)C1	ZINC000629771445	369771823	/nfs/dbraw/zinc/77/18/23/369771823.db2.gz	ALTDXPLGNHHUPQ-NEPJUHHUSA-N	-1	0	296.367	0.980	20	30		CCEDRM
C=CCOC[C@H](NC(=O)CCn1cccn1)C(=O)[O-]	ZINC000630185771	369996367	/nfs/dbraw/zinc/99/63/67/369996367.db2.gz	GJZXGTNWOIMGCC-JTQLQIEISA-N	-1	0	267.285	0.045	20	30		CCEDRM
C=C(C)C[C@H](NC(=O)COc1c(C)nn(C)c1C)C(=O)[O-]	ZINC000630320259	370045877	/nfs/dbraw/zinc/04/58/77/370045877.db2.gz	RXZGVNWYHTWEQZ-NSHDSACASA-N	-1	0	295.339	0.951	20	30		CCEDRM
C=C(C)C[C@@H](NC(=O)CCCNC(=O)C1CC1)C(=O)[O-]	ZINC000630318825	370046069	/nfs/dbraw/zinc/04/60/69/370046069.db2.gz	MGRZKLDALUWEGR-LLVKDONJSA-N	-1	0	282.340	0.828	20	30		CCEDRM
C=C(C)C[C@@H](NC(=O)[C@@H](C)OCCOCC)C(=O)[O-]	ZINC000630327313	370047744	/nfs/dbraw/zinc/04/77/44/370047744.db2.gz	ZDLFXCYMNKSXGV-GHMZBOCLSA-N	-1	0	273.329	0.964	20	30		CCEDRM
C=C(C)C[C@@H](NC(=O)[C@@H](C)NC(=O)c1ccoc1)C(=O)[O-]	ZINC000630327064	370048138	/nfs/dbraw/zinc/04/81/38/370048138.db2.gz	VSFRBBGKVVCVGU-MWLCHTKSSA-N	-1	0	294.307	0.934	20	30		CCEDRM
C=CCC[C@H](NC(=O)COCc1ccnn1C)C(=O)[O-]	ZINC000630183641	369994804	/nfs/dbraw/zinc/99/48/04/369994804.db2.gz	ZUOIJADKYLFNLE-NSHDSACASA-N	-1	0	281.312	0.472	20	30		CCEDRM
C=CCC[C@@H](NC(=O)c1cnc2n1CCC2)C(=O)[O-]	ZINC000630183265	369995163	/nfs/dbraw/zinc/99/51/63/369995163.db2.gz	VNOWWOBUNAHATG-SECBINFHSA-N	-1	0	263.297	0.979	20	30		CCEDRM
C=C(C)C[C@@H](NS(=O)(=O)N(CC)CC)C(=O)[O-]	ZINC000630437817	370116085	/nfs/dbraw/zinc/11/60/85/370116085.db2.gz	LOPKLFZNASCZAP-SECBINFHSA-N	-1	0	264.347	0.582	20	30		CCEDRM
C=C(C)C[C@H](NS(=O)(=O)CCCOC)C(=O)[O-]	ZINC000630438553	370117336	/nfs/dbraw/zinc/11/73/36/370117336.db2.gz	RHVJTWDQKADHAE-VIFPVBQESA-N	-1	0	265.331	0.362	20	30		CCEDRM
O=C(CCCc1nnn[n-]1)NCC#Cc1ccccc1	ZINC000635174686	372403818	/nfs/dbraw/zinc/40/38/18/372403818.db2.gz	RZACPURNTHTNRV-UHFFFAOYSA-N	-1	0	269.308	0.690	20	30		CCEDRM
C=C(C)[C@H]1OCC[C@@H]1CNC(=O)CCCc1nnn[n-]1	ZINC000635890054	373059880	/nfs/dbraw/zinc/05/98/80/373059880.db2.gz	PYZXRNIGNRYDIS-ZWNOBZJWSA-N	-1	0	279.344	0.620	20	30		CCEDRM
C=CCCOCCNC(=O)C[C@]1(C(=O)[O-])CCOC1	ZINC000656481891	412811399	/nfs/dbraw/zinc/81/13/99/412811399.db2.gz	VVLNXPMQQKSVGG-CYBMUJFWSA-N	-1	0	271.313	0.577	20	30		CCEDRM
C=CCOC[C@@H](NC(=O)NC[C@@]1(C)CC1(F)F)C(=O)[O-]	ZINC000656598325	412833380	/nfs/dbraw/zinc/83/33/80/412833380.db2.gz	AWYNQEARGHMJQD-LDYMZIIASA-N	-1	0	292.282	0.987	20	30		CCEDRM
C=CCCNS(=O)(=O)c1ccc2c(c1)C[C@@H](C(=O)[O-])O2	ZINC000656718541	412846657	/nfs/dbraw/zinc/84/66/57/412846657.db2.gz	UKHVLDFNTQJJPV-LBPRGKRZSA-N	-1	0	297.332	0.929	20	30		CCEDRM
COc1cc(C#N)ccc1OCC(=O)NCCCC(=O)[O-]	ZINC000261616931	190041401	/nfs/dbraw/zinc/04/14/01/190041401.db2.gz	BGLZXBQGGDARJS-UHFFFAOYSA-N	-1	0	292.291	0.927	20	30		CCEDRM
C=CCCO[C@H](C)C(=O)N(CCOC)CC(=O)[O-]	ZINC000262494439	190056206	/nfs/dbraw/zinc/05/62/06/190056206.db2.gz	XYUPUPOTYZXZNB-SNVBAGLBSA-N	-1	0	259.302	0.527	20	30		CCEDRM
COc1cc(C#N)ccc1OCC(=O)N[C@@H](C)CC(=O)[O-]	ZINC000263054600	190066052	/nfs/dbraw/zinc/06/60/52/190066052.db2.gz	XFNOERLWRLSZPW-VIFPVBQESA-N	-1	0	292.291	0.925	20	30		CCEDRM
C=CC[C@@H](CO)NS(=O)(=O)c1ccccc1[O-]	ZINC000656959869	412868598	/nfs/dbraw/zinc/86/85/98/412868598.db2.gz	QJBQKXLOLBJYOH-VIFPVBQESA-N	-1	0	257.311	0.608	20	30		CCEDRM
COC(=O)NCCCC(=O)Nc1nc(C#N)c(C#N)[n-]1	ZINC000265033060	190153515	/nfs/dbraw/zinc/15/35/15/190153515.db2.gz	GMPWNPOMZJPOCF-UHFFFAOYSA-N	-1	0	276.256	0.228	20	30		CCEDRM
C=CCC[C@@H](CO)NS(=O)(=O)c1ccccc1[O-]	ZINC000657006652	412873258	/nfs/dbraw/zinc/87/32/58/412873258.db2.gz	VDIBDQNBEDIWGB-JTQLQIEISA-N	-1	0	271.338	0.998	20	30		CCEDRM
CSc1[n-]c(=O)c(C(=O)NC[C@H](O)C(C)C)cc1C#N	ZINC000134218027	284849262	/nfs/dbraw/zinc/84/92/62/284849262.db2.gz	YVSKKZCCWMPJQO-JTQLQIEISA-N	-1	0	295.364	0.715	20	30		CCEDRM
C=C[C@@H](CO)NC(=O)C(C)(C)[N-]C(=O)C(F)(F)F	ZINC000290624806	388908653	/nfs/dbraw/zinc/90/86/53/388908653.db2.gz	OWXGBNIUCUQMAE-LURJTMIESA-N	-1	0	268.235	0.107	20	30		CCEDRM
C#CCO[N-]C(=O)Cn1nc(C(F)(F)F)cc1C	ZINC000291182649	388918476	/nfs/dbraw/zinc/91/84/76/388918476.db2.gz	FTQWOSIQVLSYEF-UHFFFAOYSA-N	-1	0	261.203	0.891	20	30		CCEDRM
C=C[C@@H](CO)NC(=O)c1ccccc1[N-]S(=O)(=O)CC	ZINC000292791163	388958934	/nfs/dbraw/zinc/95/89/34/388958934.db2.gz	UGJGHRMKADXKTO-JTQLQIEISA-N	-1	0	298.364	0.725	20	30		CCEDRM
Cc1[nH]nc([N-]S(=O)(=O)c2cnn(C)c2C)c1C#N	ZINC000291829621	388939727	/nfs/dbraw/zinc/93/97/27/388939727.db2.gz	GDUUAIMVJLXTNE-UHFFFAOYSA-N	-1	0	280.313	0.433	20	30		CCEDRM
C#CCN(CC#N)S(=O)(=O)c1cc(C(=O)[O-])cs1	ZINC000302340955	389068471	/nfs/dbraw/zinc/06/84/71/389068471.db2.gz	UXWNMNGXJFHVRP-UHFFFAOYSA-N	-1	0	284.318	0.594	20	30		CCEDRM
Cc1ccc(NCCCc2nc(=O)[n-][nH]2)nc1C#N	ZINC000302611385	389075158	/nfs/dbraw/zinc/07/51/58/389075158.db2.gz	DZZLUJDUCABCMK-UHFFFAOYSA-N	-1	0	258.285	0.718	20	30		CCEDRM
N#CC1(C(=O)Nc2n[nH]c(SCCO)n2)CCC1	ZINC000120742100	389144470	/nfs/dbraw/zinc/14/44/70/389144470.db2.gz	NYHNYFYIKXMAMW-UHFFFAOYSA-N	-1	0	267.314	0.521	20	30		CCEDRM
C=C[C@](C)(O)CC(=O)N=c1nc(COC)[n-]s1	ZINC000355590531	389098099	/nfs/dbraw/zinc/09/80/99/389098099.db2.gz	VNKDWBRODTZXBZ-JTQLQIEISA-N	-1	0	257.315	0.372	20	30		CCEDRM
CCOC(=O)c1cnc(NC(=O)CSCC#N)[n-]1	ZINC000339169405	389126453	/nfs/dbraw/zinc/12/64/53/389126453.db2.gz	AMSNIBOYFSCOHT-UHFFFAOYSA-N	-1	0	268.298	0.782	20	30		CCEDRM
CN(CCC#N)S(=O)(=O)NC1CCC(C(=O)[O-])CC1	ZINC000361989635	389227860	/nfs/dbraw/zinc/22/78/60/389227860.db2.gz	YKVYGQGSXBEGEK-UHFFFAOYSA-N	-1	0	289.357	0.310	20	30		CCEDRM
CC(C)Oc1ccc(=NC(=O)N2CCO[C@H](C#N)C2)[n-]n1	ZINC000346505091	389330479	/nfs/dbraw/zinc/33/04/79/389330479.db2.gz	JAAPOCUDMVWZEA-SNVBAGLBSA-N	-1	0	291.311	0.442	20	30		CCEDRM
CC(C)[C@@H](C#N)NC(=O)CSc1n[nH]c(=O)[n-]1	ZINC000343636722	389268685	/nfs/dbraw/zinc/26/86/85/389268685.db2.gz	BMXMFSXGSAIFTO-ZCFIWIBFSA-N	-1	0	255.303	0.267	20	30		CCEDRM
CCNC(=O)[C@H](C)/N=C(/[O-])Nc1c(C)ccn(C)c1=O	ZINC000331002692	389279215	/nfs/dbraw/zinc/27/92/15/389279215.db2.gz	RDJUHXIRJZWFDY-VIFPVBQESA-N	-1	0	280.328	0.544	20	30		CCEDRM
C[C@@H]1C[C@@H](C(=O)Nc2nc(C#N)c(C#N)[n-]2)CCO1	ZINC000345274751	389296762	/nfs/dbraw/zinc/29/67/62/389296762.db2.gz	VPKMWJSZHBESPA-SFYZADRCSA-N	-1	0	259.269	0.907	20	30		CCEDRM
C[C@@H](CO)C[N-]S(=O)(=O)c1c(F)cc(C#N)cc1F	ZINC000159729038	389373112	/nfs/dbraw/zinc/37/31/12/389373112.db2.gz	OPVJNECPLYCFLH-SSDOTTSWSA-N	-1	0	290.291	0.743	20	30		CCEDRM
N#CC1(C(=O)NCCc2nc(=O)o[n-]2)CCCC1	ZINC000333026976	389402713	/nfs/dbraw/zinc/40/27/13/389402713.db2.gz	ACDNLWLNFNDRIR-UHFFFAOYSA-N	-1	0	250.258	0.106	20	30		CCEDRM
N#C[C@@H]1CN(C(=O)c2cc([O-])cc([N+](=O)[O-])c2)CCO1	ZINC000269296116	389412709	/nfs/dbraw/zinc/41/27/09/389412709.db2.gz	RPMWIXUXLVWMOJ-LLVKDONJSA-N	-1	0	277.236	0.665	20	30		CCEDRM
C=CCN(CC(=O)[O-])C(=O)[C@H]1C[C@H]1c1cnn(C)c1	ZINC000372900681	389460030	/nfs/dbraw/zinc/46/00/30/389460030.db2.gz	GKTKGGFCEGKGPA-QWRGUYRKSA-N	-1	0	263.297	0.623	20	30		CCEDRM
CC#CC[C@H](NS(=O)(=O)C[C@H]1CCCCO1)C(=O)[O-]	ZINC000274933556	389507269	/nfs/dbraw/zinc/50/72/69/389507269.db2.gz	CVTLTWRUJHKKOF-MNOVXSKESA-N	-1	0	289.353	0.342	20	30		CCEDRM
C=CCCn1cc(C(=O)NC[C@@H](C)CC(=O)[O-])nn1	ZINC000425242272	389642922	/nfs/dbraw/zinc/64/29/22/389642922.db2.gz	OMKKAEHZWMEUIZ-VIFPVBQESA-N	-1	0	266.301	0.695	20	30		CCEDRM
C#CCNC(=O)[C@H](C#N)Cn1[n-]c(C(F)(F)F)cc1=O	ZINC000181292363	389684208	/nfs/dbraw/zinc/68/42/08/389684208.db2.gz	AEJXGFYLRRHNOA-SSDOTTSWSA-N	-1	0	286.213	0.497	20	30		CCEDRM
Cc1[n-][nH]c(=NC(=O)c2ccc3nnn(C)c3c2)c1C#N	ZINC000431457866	389860056	/nfs/dbraw/zinc/86/00/56/389860056.db2.gz	JOUQEPCUMGZTRW-UHFFFAOYSA-N	-1	0	281.279	0.546	20	30		CCEDRM
N#Cc1nnc2ccccc2c1NCCc1n[n-]c(=N)o1	ZINC000436435014	389976320	/nfs/dbraw/zinc/97/63/20/389976320.db2.gz	SDUGVUOMGZDZDL-UHFFFAOYSA-N	-1	0	281.279	0.952	20	30		CCEDRM
N#CCNC(=O)CNC(=O)c1cc2c(cc1O)CCCC2	ZINC000436711962	389983801	/nfs/dbraw/zinc/98/38/01/389983801.db2.gz	CWIWVBMFMNZBCD-UHFFFAOYSA-N	-1	0	287.319	0.641	20	30		CCEDRM
CC(C)(NC(=O)c1cc(C#N)cs1)c1nnn[n-]1	ZINC000438669817	390009755	/nfs/dbraw/zinc/00/97/55/390009755.db2.gz	BGVYDLVVAYPCJW-UHFFFAOYSA-N	-1	0	262.298	0.798	20	30		CCEDRM
C=C(CC)CNC(=O)C(=O)NCCCCCC(=O)[O-]	ZINC000420581549	390014196	/nfs/dbraw/zinc/01/41/96/390014196.db2.gz	LIWSDVMUXLNYNH-UHFFFAOYSA-N	-1	0	270.329	0.830	20	30		CCEDRM
C#CCCS(=O)(=O)[N-]C(=O)/C=C/c1ccc(OC)cn1	ZINC000493132582	390119128	/nfs/dbraw/zinc/11/91/28/390119128.db2.gz	ZKAXACMNMCRSJW-SOFGYWHQSA-N	-1	0	294.332	0.573	20	30		CCEDRM
CS(=O)(=O)c1n[n-]c(NC(=O)c2ccc(C#N)s2)n1	ZINC000488717437	390095685	/nfs/dbraw/zinc/09/56/85/390095685.db2.gz	SKBBMRFLVURFQN-UHFFFAOYSA-N	-1	0	297.321	0.394	20	30		CCEDRM
Cn1nccc1/C=C/C(=O)[N-]S(=O)(=O)CC1(C#N)CC1	ZINC000493163755	390120055	/nfs/dbraw/zinc/12/00/55/390120055.db2.gz	UVLBDGJRLRBHPJ-NSCUHMNNSA-N	-1	0	294.336	0.183	20	30		CCEDRM
Cn1ccc(/C=C/C(=O)[N-]S(=O)(=O)CCCC#N)c1	ZINC000493488447	390126899	/nfs/dbraw/zinc/12/68/99/390126899.db2.gz	OMURXDYCDKKVLU-SNAWJCMRSA-N	-1	0	281.337	0.788	20	30		CCEDRM
C=CCn1cc(C(=O)N2C[C@H](C)C[C@@H](C(=O)[O-])C2)nn1	ZINC000647743067	390156360	/nfs/dbraw/zinc/15/63/60/390156360.db2.gz	WLHHPKHNFMHZMV-NXEZZACHSA-N	-1	0	278.312	0.647	20	30		CCEDRM
C=C[C@@H]1OCCC[C@H]1NC(=O)N=c1ccc(OC)n[n-]1	ZINC000580088116	390219578	/nfs/dbraw/zinc/21/95/78/390219578.db2.gz	UTPBHQZBUWFYSG-ZJUUUORDSA-N	-1	0	278.312	0.762	20	30		CCEDRM
C=C[C@@H]1OCC[C@H]1C(=O)N=c1ccc(-c2cnn(C)c2)n[n-]1	ZINC000580165814	390224418	/nfs/dbraw/zinc/22/44/18/390224418.db2.gz	CMSLLTDNKFWHOQ-YPMHNXCESA-N	-1	0	299.334	0.829	20	30		CCEDRM
CC#CC[C@@H](NS(=O)(=O)Cc1cc(C)no1)C(=O)[O-]	ZINC000543786310	390293897	/nfs/dbraw/zinc/29/38/97/390293897.db2.gz	CLWBVJOZVXCMCQ-SNVBAGLBSA-N	-1	0	286.309	0.269	20	30		CCEDRM
C#CCO[N-]C(=O)[C@H](COC)NC(=O)OC(C)(C)C	ZINC000496002138	390281675	/nfs/dbraw/zinc/28/16/75/390281675.db2.gz	NPKNATSXQSDBDZ-VIFPVBQESA-N	-1	0	272.301	0.207	20	30		CCEDRM
C=CCCn1cc(C(=O)N(CCC(=O)[O-])C2CC2)nn1	ZINC000644873088	390335884	/nfs/dbraw/zinc/33/58/84/390335884.db2.gz	WSHLFZVHENXKFP-UHFFFAOYSA-N	-1	0	278.312	0.934	20	30		CCEDRM
C=CCO[N-]C(=O)[C@@H](CNC(=O)OC(C)(C)C)OC	ZINC000496424043	390351853	/nfs/dbraw/zinc/35/18/53/390351853.db2.gz	JGEIUHPMNVVMEP-SECBINFHSA-N	-1	0	274.317	0.760	20	30		CCEDRM
Cn1cc(-c2ccc(=NC(=O)NCC3(C#N)CC3)[n-]n2)cn1	ZINC000515455058	390475790	/nfs/dbraw/zinc/47/57/90/390475790.db2.gz	YNRZKXAULCQBLE-UHFFFAOYSA-N	-1	0	297.322	0.724	20	30		CCEDRM
C[C@H](CCC(=O)[O-])NS(=O)(=O)N(C)[C@H](C)CC#N	ZINC000519653897	390525317	/nfs/dbraw/zinc/52/53/17/390525317.db2.gz	OVMNAPQAGFBCRI-RKDXNWHRSA-N	-1	0	277.346	0.308	20	30		CCEDRM
C=CCn1cc(C(=O)NC[C@H](C)CC(=O)[O-])nn1	ZINC000649247850	390536625	/nfs/dbraw/zinc/53/66/25/390536625.db2.gz	OYBKUEWJCQKAKR-MRVPVSSYSA-N	-1	0	252.274	0.305	20	30		CCEDRM
CC(C)N(CCC(=O)[O-])S(=O)(=O)N(C)C[C@@H](C)C#N	ZINC000566312348	390596694	/nfs/dbraw/zinc/59/66/94/390596694.db2.gz	MOAAPVIELZAIDX-JTQLQIEISA-N	-1	0	291.373	0.508	20	30		CCEDRM
C=C(C)CS(=O)(=O)N1CCC[C@](COC)(C(=O)[O-])C1	ZINC000567808455	390711242	/nfs/dbraw/zinc/71/12/42/390711242.db2.gz	QTHZBNJSKVNGRR-LBPRGKRZSA-N	-1	0	291.369	0.706	20	30		CCEDRM
CC(C)[C@H](CC(=O)[O-])NS(=O)(=O)CCCC#N	ZINC000567324196	390692572	/nfs/dbraw/zinc/69/25/72/390692572.db2.gz	WONLSEDNPCTJCC-VIFPVBQESA-N	-1	0	262.331	0.709	20	30		CCEDRM
C=C(CC)CNC(=O)C(=O)N[C@@H]1CC[C@H](C(=O)[O-])C1	ZINC000647588960	390844305	/nfs/dbraw/zinc/84/43/05/390844305.db2.gz	OYXRKIPPLFFFTE-VHSXEESVSA-N	-1	0	268.313	0.438	20	30		CCEDRM
C[C@H](C#N)CN(C)S(=O)(=O)N[C@@H](C(=O)[O-])C1CCC1	ZINC000578657491	390897157	/nfs/dbraw/zinc/89/71/57/390897157.db2.gz	NVPFTMDCAMDZNA-PSASIEDQSA-N	-1	0	289.357	0.166	20	30		CCEDRM
Cc1cc2ncc(C(=O)N=c3[nH][n-]c(C)c3C#N)c(C)n2n1	ZINC000357154298	144065421	/nfs/dbraw/zinc/06/54/21/144065421.db2.gz	DCPDGWDLKUZJFC-UHFFFAOYSA-N	-1	0	295.306	0.924	20	30		CCEDRM
N#Cc1cccc(NC(=O)NCc2n[nH]c(=O)[n-]2)c1	ZINC000357159568	144065786	/nfs/dbraw/zinc/06/57/86/144065786.db2.gz	LUJBTENFEAWXPZ-UHFFFAOYSA-N	-1	0	258.241	0.704	20	30		CCEDRM
C=C(C)CS(=O)(=O)NC[C@H](CC1CC1)C(=O)[O-]	ZINC000650430357	397719030	/nfs/dbraw/zinc/71/90/30/397719030.db2.gz	LVVIJBDHRYUALZ-JTQLQIEISA-N	-1	0	261.343	0.983	20	30		CCEDRM
O=C(N=c1cn[n-]s1)N1CCOC2(CCOCC2)C1	ZINC000330273051	304819910	/nfs/dbraw/zinc/81/99/10/304819910.db2.gz	YPCCOBIVULSKSX-UHFFFAOYSA-N	-1	0	284.341	0.965	20	30		CCEDRM
CCN(CC)c1n[nH]c([N-]S(C)(=O)=O)c1C#N	ZINC000548697764	286059143	/nfs/dbraw/zinc/05/91/43/286059143.db2.gz	LPOHKMZJQQFHBU-UHFFFAOYSA-N	-1	0	257.319	0.499	20	30		CCEDRM
N#C[C@H](C(=O)CSCC(=O)[O-])C(=O)N1CCCC1	ZINC000740304172	581662175	/nfs/dbraw/zinc/66/21/75/581662175.db2.gz	RILUJNQGNUAVDQ-MRVPVSSYSA-N	-1	0	270.310	0.135	20	30		CCEDRM
C=CCC[C@H](NC(=O)c1nc2ncccn2n1)C(=O)[O-]	ZINC000659154115	413315894	/nfs/dbraw/zinc/31/58/94/413315894.db2.gz	LWEXPRPDNJSUME-QMMMGPOBSA-N	-1	0	275.268	0.274	20	30		CCEDRM
C=CCC[C@H](NC(=O)c1ccn2nnnc2c1)C(=O)[O-]	ZINC000659153721	413315034	/nfs/dbraw/zinc/31/50/34/413315034.db2.gz	LFSJSWCFWIINDM-VIFPVBQESA-N	-1	0	275.268	0.274	20	30		CCEDRM
C=CCCn1cc(C(=O)N[C@@](C)(CCF)C(=O)[O-])nn1	ZINC000659215753	413342280	/nfs/dbraw/zinc/34/22/80/413342280.db2.gz	VMOOMMFBEBWPOR-LBPRGKRZSA-N	-1	0	284.291	0.787	20	30		CCEDRM
C=CCCN(C)C(=O)C(=O)N=c1ncn(C(C)C)[n-]1	ZINC000651743418	411926348	/nfs/dbraw/zinc/92/63/48/411926348.db2.gz	UNWBHLVQXRLLRB-UHFFFAOYSA-N	-1	0	265.317	0.254	20	30		CCEDRM
N#Cc1ccccc1CS(=O)(=O)NCCCC(=O)[O-]	ZINC000020551760	171247490	/nfs/dbraw/zinc/24/74/90/171247490.db2.gz	XHEZBMOVEPUUBM-UHFFFAOYSA-N	-1	0	282.321	0.842	20	30		CCEDRM
CN(CCC#N)S(=O)(=O)c1ccc(C(=O)[O-])cc1	ZINC000021948981	171338732	/nfs/dbraw/zinc/33/87/32/171338732.db2.gz	AJWYZXMRPAYVKD-UHFFFAOYSA-N	-1	0	268.294	0.919	20	30		CCEDRM
C=CCOCCCNC(=O)N1CCO[C@@H](C(=O)[O-])C1	ZINC000659412657	413483317	/nfs/dbraw/zinc/48/33/17/413483317.db2.gz	LBBWISLRLVCNLB-SNVBAGLBSA-N	-1	0	272.301	0.074	20	30		CCEDRM
C=CC[C@@H](CO)CNC(=O)NCC1(C(=O)[O-])CCC1	ZINC000659421518	413485599	/nfs/dbraw/zinc/48/55/99/413485599.db2.gz	SEAUOJAHXLYFGU-SNVBAGLBSA-N	-1	0	270.329	0.725	20	30		CCEDRM
C[C@H](C#N)CN(C)S(=O)(=O)c1cc(C(=O)[O-])n(C)c1	ZINC000037838497	173795311	/nfs/dbraw/zinc/79/53/11/173795311.db2.gz	GVRWEAOAUHLWBZ-MRVPVSSYSA-N	-1	0	285.325	0.503	20	30		CCEDRM
CCN(C[C@H](C)C#N)S(=O)(=O)CCCC(=O)[O-]	ZINC000037838159	173795326	/nfs/dbraw/zinc/79/53/26/173795326.db2.gz	AVDFJQHGRHHSCQ-SECBINFHSA-N	-1	0	262.331	0.663	20	30		CCEDRM
CCCN(CC(=O)[O-])CC(=O)N(CCC#N)CCC#N	ZINC000038022096	174002383	/nfs/dbraw/zinc/00/23/83/174002383.db2.gz	ARBUMWJYTIORFG-UHFFFAOYSA-N	-1	0	280.328	0.439	20	30		CCEDRM
CCOc1cc(C#N)ccc1OCC(=O)NCC(=O)[O-]	ZINC000575161580	335073894	/nfs/dbraw/zinc/07/38/94/335073894.db2.gz	HCUSXELKXIDWDW-UHFFFAOYSA-N	-1	0	278.264	0.537	20	30		CCEDRM
N#CC1(C(=O)N2CCC[C@@H](c3n[nH]c(=O)[n-]3)C2)CCC1	ZINC000329064064	227279967	/nfs/dbraw/zinc/27/99/67/227279967.db2.gz	KLUNURXROBSXAK-SECBINFHSA-N	-1	0	275.312	0.910	20	30		CCEDRM
O=C(N=c1[n-]ncs1)NCc1nnc(C2CC2)o1	ZINC000329351902	227462145	/nfs/dbraw/zinc/46/21/45/227462145.db2.gz	FLQUJWCRJAHYAR-UHFFFAOYSA-N	-1	0	266.286	0.747	20	30		CCEDRM
C[C@]12CCC(=O)N1[C@H](C(=O)NCc1n[nH]c(=O)[n-]1)CS2	ZINC000330035615	228023720	/nfs/dbraw/zinc/02/37/20/228023720.db2.gz	BVTCVLRRQLWSLI-KGFZYKRKSA-N	-1	0	297.340	0.421	20	30		CCEDRM
C=CCOCCNS(=O)(=O)c1c[nH]c(C(=O)[O-])c1	ZINC000302342327	544981762	/nfs/dbraw/zinc/98/17/62/544981762.db2.gz	HRNJUCAPCPRYRA-UHFFFAOYSA-N	-1	0	274.298	0.194	20	30		CCEDRM
C=CCOCCNC(=O)[C@H]1CC=CC[C@H]1C(=O)[O-]	ZINC000310745903	545011490	/nfs/dbraw/zinc/01/14/90/545011490.db2.gz	GIHITXAWCWIJLD-WDEREUQCSA-N	-1	0	253.298	0.972	20	30		CCEDRM
N#CCCNS(=O)(=O)c1cc(C(=O)[O-])cs1	ZINC000049538236	260664003	/nfs/dbraw/zinc/66/40/03/260664003.db2.gz	BKEJBJWOCFHIEK-UHFFFAOYSA-N	-1	0	260.296	0.638	20	30		CCEDRM
N#C[C@H]1CN(Cc2c([O-])nnn2-c2ccccc2)CCO1	ZINC000106064064	261321193	/nfs/dbraw/zinc/32/11/93/261321193.db2.gz	OFGKEONGGITMOX-LBPRGKRZSA-N	-1	0	285.307	0.697	20	30		CCEDRM
C=CCC1(S(=O)(=O)[N-]C(=O)[C@H](C)NC(=O)OC)CC1	ZINC000497254419	262127082	/nfs/dbraw/zinc/12/70/82/262127082.db2.gz	VGLHLRGGXKWVGV-QMMMGPOBSA-N	-1	0	290.341	0.286	20	30		CCEDRM
CC#CCN(C)C(=O)c1c[nH]c2nc(=O)[n-]c(=O)c-2c1	ZINC000341077248	263323732	/nfs/dbraw/zinc/32/37/32/263323732.db2.gz	GKFAEGZBVCTJKT-UHFFFAOYSA-N	-1	0	272.264	0.531	20	30		CCEDRM
C=CC[C@@H](CO)CNC(=O)N=c1[n-]nc(CC)s1	ZINC000341771409	263348192	/nfs/dbraw/zinc/34/81/92/263348192.db2.gz	LCPMNCFMYFKGGX-MRVPVSSYSA-N	-1	0	270.358	0.829	20	30		CCEDRM
N#Cc1ccc(CC(=O)[N-]S(=O)(=O)C2CCC2)cn1	ZINC000529003194	269960637	/nfs/dbraw/zinc/96/06/37/269960637.db2.gz	RYSLKDBUAOLWHM-UHFFFAOYSA-N	-1	0	279.321	0.494	20	30		CCEDRM
CCN(C[C@@H](C)C#N)S(=O)(=O)N[C@@H](C)CC(=O)[O-]	ZINC000417425264	264241394	/nfs/dbraw/zinc/24/13/94/264241394.db2.gz	XRVCPDPNLPQMHU-IUCAKERBSA-N	-1	0	277.346	0.166	20	30		CCEDRM
C=CC[C@H](NS(=O)(=O)c1c(C)n[nH]c1C)C(=O)[O-]	ZINC000161284165	264279711	/nfs/dbraw/zinc/27/97/11/264279711.db2.gz	ILTUPHFNZJQOTP-QMMMGPOBSA-N	-1	0	273.314	0.334	20	30		CCEDRM
C#CCSCCNC(=O)N1CCC[C@@H](C(=O)[O-])C1	ZINC000231960001	264804768	/nfs/dbraw/zinc/80/47/68/264804768.db2.gz	FREQFCQCRPQOQY-SNVBAGLBSA-N	-1	0	270.354	0.859	20	30		CCEDRM
C#CCO[N-]C(=O)[C@H]1C[C@@H](c2ccccc2)OC1=O	ZINC000291334916	264822324	/nfs/dbraw/zinc/82/23/24/264822324.db2.gz	VCTSNNCQUPHOKX-NEPJUHHUSA-N	-1	0	259.261	0.972	20	30		CCEDRM
C=C[C@@H](CO)NC(=O)c1ccc(-c2nc(=O)o[n-]2)cc1	ZINC000356833579	266183416	/nfs/dbraw/zinc/18/34/16/266183416.db2.gz	KMVNFYXLIBYEIF-JTQLQIEISA-N	-1	0	275.264	0.307	20	30		CCEDRM
C[C@H](C#N)C(=O)Nc1ccc(-n2nn[n-]c2=O)cc1	ZINC000357001381	266228757	/nfs/dbraw/zinc/22/87/57/266228757.db2.gz	SGNRLWIGQZWKLG-SSDOTTSWSA-N	-1	0	258.241	0.466	20	30		CCEDRM
CC(C)c1[n-]n(C)c(=O)c1C(=O)N[C@@H](C)c1nncn1C	ZINC000329010599	278706510	/nfs/dbraw/zinc/70/65/10/278706510.db2.gz	OKZKIHGDRGWFHC-IUCAKERBSA-N	-1	0	292.343	0.933	20	30		CCEDRM
C=CC(C)(C)CNC(=O)N1CCO[C@@H](C(=O)[O-])C1	ZINC000385048563	545085505	/nfs/dbraw/zinc/08/55/05/545085505.db2.gz	QDVYYPWQJXUDFT-SECBINFHSA-N	-1	0	256.302	0.694	20	30		CCEDRM
C=CCOCCNC(=O)N([C@@H](C)C(=O)[O-])C1CC1	ZINC000394951515	545088349	/nfs/dbraw/zinc/08/83/49/545088349.db2.gz	MOHUJODRHABVAV-VIFPVBQESA-N	-1	0	256.302	0.836	20	30		CCEDRM
C[C@@H](C#N)CN(C)S(=O)(=O)N[C@H](C)CCC(=O)[O-]	ZINC000580081928	327693464	/nfs/dbraw/zinc/69/34/64/327693464.db2.gz	IYOATYPIUGMQIV-DTWKUNHWSA-N	-1	0	277.346	0.166	20	30		CCEDRM
C[C@H]1CCN(S(=O)(=O)CC2(C#N)CC2)C[C@H]1C(=O)[O-]	ZINC000581192552	327862941	/nfs/dbraw/zinc/86/29/41/327862941.db2.gz	QVNFRZNAQWBPPV-VHSXEESVSA-N	-1	0	286.353	0.663	20	30		CCEDRM
CC[C@H](CCC(=O)[O-])NS(=O)(=O)N(C)C[C@H](C)C#N	ZINC000563226596	327983027	/nfs/dbraw/zinc/98/30/27/327983027.db2.gz	PBWJCCYZQCMSJH-NXEZZACHSA-N	-1	0	291.373	0.556	20	30		CCEDRM
N#CCC1(CS(=O)(=O)N[C@H](CC(F)F)C(=O)[O-])CC1	ZINC000563815657	328520767	/nfs/dbraw/zinc/52/07/67/328520767.db2.gz	QAVODCHLBBRPQH-SSDOTTSWSA-N	-1	0	296.295	0.708	20	30		CCEDRM
Cc1ccn2ncc(C(=O)[N-]S(C)(=O)=O)c2n1	ZINC000076100109	326922975	/nfs/dbraw/zinc/92/29/75/326922975.db2.gz	ZZGBMRTVMLMTQP-UHFFFAOYSA-N	-1	0	254.271	0.302	20	30		CCEDRM
C=CCS(=O)(=O)[N-]C(=O)[C@@H]1CCC[C@@H](OC)C1	ZINC000408132861	327107349	/nfs/dbraw/zinc/10/73/49/327107349.db2.gz	MGVYNUYMAAZGJI-NXEZZACHSA-N	-1	0	261.343	0.824	20	30		CCEDRM
C=CCOC[C@H](NC(=O)NCc1nc(C)cs1)C(=O)[O-]	ZINC000555710062	327249605	/nfs/dbraw/zinc/24/96/05/327249605.db2.gz	RVYQRMCIQUSHOZ-VIFPVBQESA-N	-1	0	299.352	0.907	20	30		CCEDRM
Cc1cnn(C)c1S(=O)(=O)[N-]c1cc(CC#N)ccn1	ZINC000560444251	327307986	/nfs/dbraw/zinc/30/79/86/327307986.db2.gz	ODLSIZJXCSQHSW-UHFFFAOYSA-N	-1	0	291.336	0.990	20	30		CCEDRM
C=CCC[C@@H](NC(=O)N[C@H](C)Cn1cncn1)C(=O)[O-]	ZINC000570022841	327563106	/nfs/dbraw/zinc/56/31/06/327563106.db2.gz	VQQSPPNDVJJFQK-NXEZZACHSA-N	-1	0	281.316	0.385	20	30		CCEDRM
C=CC[C@@H](CC)NC(=O)N[C@@]1(C(=O)[O-])CCOC1	ZINC000393763365	329089431	/nfs/dbraw/zinc/08/94/31/329089431.db2.gz	PTVBKZAQXHZIIB-SKDRFNHKSA-N	-1	0	256.302	0.884	20	30		CCEDRM
C=C[C@H](CCC(=O)[O-])NS(=O)(=O)c1c(C)noc1C	ZINC000582471205	329093413	/nfs/dbraw/zinc/09/34/13/329093413.db2.gz	IGVVLCUJZXMEHP-SECBINFHSA-N	-1	0	288.325	0.989	20	30		CCEDRM
Cc1ncsc1CCn1c(=O)[n-]cc(C#N)c1=O	ZINC000582845325	329273343	/nfs/dbraw/zinc/27/33/43/329273343.db2.gz	PBWZEWYJPSXPAP-UHFFFAOYSA-N	-1	0	262.294	0.416	20	30		CCEDRM
C=CCCn1cc(C(=O)N[C@@]2(CC(=O)[O-])CCOC2)nn1	ZINC000425240199	329646950	/nfs/dbraw/zinc/64/69/50/329646950.db2.gz	LSOHHIYOELHICC-CYBMUJFWSA-N	-1	0	294.311	0.218	20	30		CCEDRM
C=C(C)CS(=O)(=O)N[C@@H](Cc1ccco1)C(=O)[O-]	ZINC000571766778	329918653	/nfs/dbraw/zinc/91/86/53/329918653.db2.gz	LOGDTFGSXCHBHY-JTQLQIEISA-N	-1	0	273.310	0.771	20	30		CCEDRM
CC(C)N(CC(=O)[O-])S(=O)(=O)CCCCC#N	ZINC000262423599	330009503	/nfs/dbraw/zinc/00/95/03/330009503.db2.gz	NJXPBPPGOZWNNV-UHFFFAOYSA-N	-1	0	262.331	0.805	20	30		CCEDRM
C=CCOC[C@H](NC(=O)c1cccc(C)n1)C(=O)[O-]	ZINC000263031453	330039666	/nfs/dbraw/zinc/03/96/66/330039666.db2.gz	ONXGEVNRCGEFKZ-NSHDSACASA-N	-1	0	264.281	0.776	20	30		CCEDRM
C=CCOC[C@@H](NC(=O)CC[C@H](C)OC)C(=O)[O-]	ZINC000263105966	330043957	/nfs/dbraw/zinc/04/39/57/330043957.db2.gz	UKLJDDKXDXQYPX-VHSXEESVSA-N	-1	0	259.302	0.574	20	30		CCEDRM
C=C[C@@H]1OCC[C@H]1NC(=O)N1CCC[C@H](C(=O)[O-])C1	ZINC000263432160	330055446	/nfs/dbraw/zinc/05/54/46/330055446.db2.gz	ZAVRBRNYARWUHS-AXFHLTTASA-N	-1	0	268.313	0.836	20	30		CCEDRM
CCN(CCC#N)S(=O)(=O)N(CC(=O)[O-])C(C)C	ZINC000263451462	330056500	/nfs/dbraw/zinc/05/65/00/330056500.db2.gz	APSQPKNYOLLNCG-UHFFFAOYSA-N	-1	0	277.346	0.262	20	30		CCEDRM
C[C@H](C#N)CN(C)S(=O)(=O)N1CC[C@](C)(C(=O)[O-])C1	ZINC000263463468	330056961	/nfs/dbraw/zinc/05/69/61/330056961.db2.gz	FKCACYGFARMSFF-KOLCDFICSA-N	-1	0	289.357	0.119	20	30		CCEDRM
CCC[C@@H](NS(=O)(=O)CC1(CC#N)CC1)C(=O)[O-]	ZINC000263489568	330057660	/nfs/dbraw/zinc/05/76/60/330057660.db2.gz	ODGKZHXUTMWRDZ-SECBINFHSA-N	-1	0	274.342	0.853	20	30		CCEDRM
C[C@H](C(=O)[O-])N(C)S(=O)(=O)CC1(CC#N)CC1	ZINC000263539731	330059143	/nfs/dbraw/zinc/05/91/43/330059143.db2.gz	BUAKVWGVAHLAQE-MRVPVSSYSA-N	-1	0	260.315	0.415	20	30		CCEDRM
C=CCCS(=O)(=O)N1CCSC[C@H]1CC(=O)[O-]	ZINC000580428043	330130848	/nfs/dbraw/zinc/13/08/48/330130848.db2.gz	WKWDHSBREFNXCR-SECBINFHSA-N	-1	0	279.383	0.784	20	30		CCEDRM
C#CCN(CC#N)S(=O)(=O)c1cccc(C(=O)[O-])c1C	ZINC000379637579	330143979	/nfs/dbraw/zinc/14/39/79/330143979.db2.gz	PVWRFANZUPEKET-UHFFFAOYSA-N	-1	0	292.316	0.841	20	30		CCEDRM
C=CCCN(C)C(=O)C(=O)N1CCC[C@@H](C(=O)[O-])C1	ZINC000422873141	330158675	/nfs/dbraw/zinc/15/86/75/330158675.db2.gz	KFMCZQCJXNVCBN-SNVBAGLBSA-N	-1	0	268.313	0.344	20	30		CCEDRM
C=C[C@@H]1CCCCN1C(=O)C(=O)N1CC[C@](C)(C(=O)[O-])C1	ZINC000422905007	330159611	/nfs/dbraw/zinc/15/96/11/330159611.db2.gz	HMHKPSHQLBJUPQ-ABAIWWIYSA-N	-1	0	294.351	0.877	20	30		CCEDRM
C=C[C@H]1CCCCN1C(=O)C(=O)N(C)C[C@@H](C)C(=O)[O-]	ZINC000422902831	330162293	/nfs/dbraw/zinc/16/22/93/330162293.db2.gz	DRIDBSGJWOCGIB-MNOVXSKESA-N	-1	0	282.340	0.733	20	30		CCEDRM
C=CCCn1cc(C(=O)N(C)CCC(=O)[O-])nn1	ZINC000424221048	330329784	/nfs/dbraw/zinc/32/97/84/330329784.db2.gz	ASTXSIOGHQYWRD-UHFFFAOYSA-N	-1	0	252.274	0.401	20	30		CCEDRM
C=CCCn1cc(C(=O)N[C@H](CCC)C(=O)[O-])nn1	ZINC000424229066	330330786	/nfs/dbraw/zinc/33/07/86/330330786.db2.gz	WAKUOTCJSULMJD-SECBINFHSA-N	-1	0	266.301	0.837	20	30		CCEDRM
C=CCn1cc(CNC(=O)NCCC(C)(C)C(=O)[O-])nn1	ZINC000424401003	330350186	/nfs/dbraw/zinc/35/01/86/330350186.db2.gz	XGJQBGLGARGIEQ-UHFFFAOYSA-N	-1	0	295.343	0.764	20	30		CCEDRM
CC#CCCNC(=O)C(=O)NC[C@@H](CC(C)C)C(=O)[O-]	ZINC000424493736	330357310	/nfs/dbraw/zinc/35/73/10/330357310.db2.gz	ONYKUDDMMLARAG-LLVKDONJSA-N	-1	0	282.340	0.379	20	30		CCEDRM
CC(C)C[C@@H](CNC(=O)C(=O)NCCCC#N)C(=O)[O-]	ZINC000424500023	330359212	/nfs/dbraw/zinc/35/92/12/330359212.db2.gz	ZMCDOYNKRHYTNZ-JTQLQIEISA-N	-1	0	283.328	0.269	20	30		CCEDRM
N#CCC1(O)CN(C(=O)c2ccc([O-])c([N+](=O)[O-])c2)C1	ZINC000436921189	330688474	/nfs/dbraw/zinc/68/84/74/330688474.db2.gz	UZDLXTTUIUXNHD-UHFFFAOYSA-N	-1	0	277.236	0.401	20	30		CCEDRM
N#CCN(CC#N)C(=O)c1ccc([O-])c([N+](=O)[O-])c1	ZINC000436957950	330689910	/nfs/dbraw/zinc/68/99/10/330689910.db2.gz	YNUNMFVSBVBEKC-UHFFFAOYSA-N	-1	0	260.209	0.790	20	30		CCEDRM
C=C[C@@H]1OCCC[C@H]1NS(=O)(=O)[N-]CC(F)(F)F	ZINC000451909930	331047090	/nfs/dbraw/zinc/04/70/90/331047090.db2.gz	XUPQJIKWRHYLSB-SFYZADRCSA-N	-1	0	288.291	0.706	20	30		CCEDRM
C=CCOC[C@H](NC(=O)CCc1cncc(F)c1)C(=O)[O-]	ZINC000455893585	331179820	/nfs/dbraw/zinc/17/98/20/331179820.db2.gz	DQOIKEVOOGMPJQ-LBPRGKRZSA-N	-1	0	296.298	0.925	20	30		CCEDRM
C=CCN=c1[n-]nc(S[C@H]2CCCNC2=O)s1	ZINC000487214909	331959814	/nfs/dbraw/zinc/95/98/14/331959814.db2.gz	LAYYAULSMNZDFF-ZETCQYMHSA-N	-1	0	270.383	0.929	20	30		CCEDRM
C#C[C@H]1COCCN1C(=O)c1ccc([N+](=O)[O-])c([O-])c1	ZINC000491296643	332184131	/nfs/dbraw/zinc/18/41/31/332184131.db2.gz	MRLVMAZAMOXIJA-JTQLQIEISA-N	-1	0	276.248	0.775	20	30		CCEDRM
C#CCN(CC#N)CC1=Nc2ccccc2S(=O)(=O)[N-]1	ZINC000491307508	332186970	/nfs/dbraw/zinc/18/69/70/332186970.db2.gz	QKEBQLKBICBJBZ-UHFFFAOYSA-N	-1	0	288.332	0.467	20	30		CCEDRM
C#C[C@H]1COCCN1C(=O)c1cccc([N+](=O)[O-])c1[O-]	ZINC000491338417	332192526	/nfs/dbraw/zinc/19/25/26/332192526.db2.gz	IFRWIMNIDIQNTD-VIFPVBQESA-N	-1	0	276.248	0.775	20	30		CCEDRM
C#CCN(C)C(=O)c1ccc(-c2nc(=O)o[n-]2)cc1	ZINC000491503770	332224157	/nfs/dbraw/zinc/22/41/57/332224157.db2.gz	FGOZPZFIESTUEL-UHFFFAOYSA-N	-1	0	257.249	0.735	20	30		CCEDRM
C#C[C@@H]1COCCN1C(=O)N=c1[n-]nc2ccccn21	ZINC000491701917	332296233	/nfs/dbraw/zinc/29/62/33/332296233.db2.gz	XIWHRQHCYCXCDH-SNVBAGLBSA-N	-1	0	271.280	0.017	20	30		CCEDRM
C#CC(C)(C)N(C)CC(=O)N=c1cc[nH]n1CCC	ZINC000491747401	332324767	/nfs/dbraw/zinc/32/47/67/332324767.db2.gz	NGYSYTMSQWIQHH-UHFFFAOYSA-N	-1	0	262.357	0.997	20	30		CCEDRM
C#CCCS(=O)(=O)[N-]C(=O)/C=C\c1nccn1CC	ZINC000492975643	332420997	/nfs/dbraw/zinc/42/09/97/332420997.db2.gz	VUBCVCUJBSPRKQ-SREVYHEPSA-N	-1	0	281.337	0.386	20	30		CCEDRM
C#CCO[N-]C(=O)[C@@H]1CSCN1C(=O)OC(C)(C)C	ZINC000496387002	332548256	/nfs/dbraw/zinc/54/82/56/332548256.db2.gz	RWUGRLIIZPBOCR-VIFPVBQESA-N	-1	0	286.353	0.977	20	30		CCEDRM
C=CC1CCN(S(=O)(=O)N2CCC[C@@H]2C(=O)[O-])CC1	ZINC000568862250	334843808	/nfs/dbraw/zinc/84/38/08/334843808.db2.gz	ITWRWXFDYLOIJL-LLVKDONJSA-N	-1	0	288.369	0.678	20	30		CCEDRM
C=C(C)COCCNC(=O)N1C[C@H](OC)C[C@@H]1C(=O)[O-]	ZINC000164134866	334877248	/nfs/dbraw/zinc/87/72/48/334877248.db2.gz	WBFBJCMNXMRIMY-GHMZBOCLSA-N	-1	0	286.328	0.463	20	30		CCEDRM
CO[C@@H](CNS(=O)(=O)CC1(CC#N)CC1)CC(=O)[O-]	ZINC000516973263	333088634	/nfs/dbraw/zinc/08/86/34/333088634.db2.gz	BWEARRXUGFCHNA-SECBINFHSA-N	-1	0	290.341	0.089	20	30		CCEDRM
C=CCN(C1CC1)S(=O)(=O)N1CCC[C@@H](C(=O)[O-])C1	ZINC000227643616	333287035	/nfs/dbraw/zinc/28/70/35/333287035.db2.gz	CORACYSBCNTFHR-SNVBAGLBSA-N	-1	0	288.369	0.678	20	30		CCEDRM
CCC(C#N)(CC)C(=O)[N-]S(=O)(=O)c1ccnn1C	ZINC000528989017	333467878	/nfs/dbraw/zinc/46/78/78/333467878.db2.gz	MYGYVZWQVYISKZ-UHFFFAOYSA-N	-1	0	284.341	0.555	20	30		CCEDRM
C[C@@H]1SC[C@H](C(=O)[O-])N1S(=O)(=O)CC1(C#N)CC1	ZINC000547892353	334128899	/nfs/dbraw/zinc/12/88/99/334128899.db2.gz	UHODKILTWUHQGJ-JGVFFNPUSA-N	-1	0	290.366	0.468	20	30		CCEDRM
COC(=O)c1ncsc1S(=O)(=O)[N-]C(C)(C)C#N	ZINC000547952552	334131159	/nfs/dbraw/zinc/13/11/59/334131159.db2.gz	JTRNBVLQYKECPI-UHFFFAOYSA-N	-1	0	289.338	0.510	20	30		CCEDRM
CCN([C@H](C(=O)[O-])C(C)C)S(=O)(=O)N(C)CCC#N	ZINC000548560556	334162713	/nfs/dbraw/zinc/16/27/13/334162713.db2.gz	YHIOZZUPJAONDH-JTQLQIEISA-N	-1	0	291.373	0.508	20	30		CCEDRM
C[C@@H]1CCN(S(=O)(=O)CC2(C#N)CC2)[C@@H](C(=O)[O-])C1	ZINC000548577069	334162854	/nfs/dbraw/zinc/16/28/54/334162854.db2.gz	UJSGYZJKAIUGMS-NXEZZACHSA-N	-1	0	286.353	0.805	20	30		CCEDRM
C=CCN(CC(=O)[O-])S(=O)(=O)c1cccc2c1OCO2	ZINC000554711893	334447764	/nfs/dbraw/zinc/44/77/64/334447764.db2.gz	ZKZRJAMEGWLUKU-UHFFFAOYSA-N	-1	0	299.304	0.677	20	30		CCEDRM
C[C@@H](CC#N)N(C)S(=O)(=O)NCC1(C(=O)[O-])CCC1	ZINC000565056530	334536898	/nfs/dbraw/zinc/53/68/98/334536898.db2.gz	QNVYYVJHWMZBRT-VIFPVBQESA-N	-1	0	289.357	0.310	20	30		CCEDRM
C=C(C)[C@H]1OCC[C@@H]1CNc1ccc(C(=O)[O-])nn1	ZINC000566799754	334664877	/nfs/dbraw/zinc/66/48/77/334664877.db2.gz	LVGNJQYKIHCKFZ-BXKDBHETSA-N	-1	0	263.297	0.990	20	30		CCEDRM
C=CCN(C1CC1)S(=O)(=O)c1cnn(CC(=O)[O-])c1	ZINC000165217734	334893182	/nfs/dbraw/zinc/89/31/82/334893182.db2.gz	DCRIXVXAIXKMAH-UHFFFAOYSA-N	-1	0	285.325	0.307	20	30		CCEDRM
C=C[C@@H]1OCC[C@H]1CNC(=O)N=c1[n-]nc(OC)s1	ZINC000580642204	335309703	/nfs/dbraw/zinc/30/97/03/335309703.db2.gz	VXCDFNKBEHLPRA-YUMQZZPRSA-N	-1	0	284.341	0.681	20	30		CCEDRM
O=C([O-])CCCNC(=O)C(=O)NCC#Cc1ccccc1	ZINC000577177709	335317043	/nfs/dbraw/zinc/31/70/43/335317043.db2.gz	CMIZULXUHCYNFL-UHFFFAOYSA-N	-1	0	288.303	0.135	20	30		CCEDRM
C=CCOC[C@H](NS(=O)(=O)c1cccs1)C(=O)[O-]	ZINC000577726726	335392922	/nfs/dbraw/zinc/39/29/22/335392922.db2.gz	DMKLEPWUSQJYJH-QMMMGPOBSA-N	-1	0	291.350	0.682	20	30		CCEDRM
C=C(C)CS(=O)(=O)N1[C@@H](C)SC[C@H]1C(=O)[O-]	ZINC000577758258	335398294	/nfs/dbraw/zinc/39/82/94/335398294.db2.gz	XRBWKNBJJWHOBC-SFYZADRCSA-N	-1	0	265.356	0.740	20	30		CCEDRM
C[C@H](C#N)CN(C)C(=O)C(=O)N1CC[C@@H](C)[C@@H](C(=O)[O-])C1	ZINC000578131914	335512143	/nfs/dbraw/zinc/51/21/43/335512143.db2.gz	DBNDGSPUJIBVRW-MXWKQRLJSA-N	-1	0	295.339	0.174	20	30		CCEDRM
CCCc1nc(=NC(=O)[C@@H](N)CCCC#N)s[n-]1	ZINC000579100307	335707018	/nfs/dbraw/zinc/70/70/18/335707018.db2.gz	HRCBRBJGBJHDMM-QMMMGPOBSA-N	-1	0	267.358	0.872	20	30		CCEDRM
C[C@@H]1C[C@@]1(C#N)C(=O)N1CCC[C@H](c2n[nH]c(=O)[n-]2)C1	ZINC000579235047	335724954	/nfs/dbraw/zinc/72/49/54/335724954.db2.gz	VSKNLCWLBNDREB-ZDMBXUJBSA-N	-1	0	275.312	0.766	20	30		CCEDRM
N#Cc1ccc([N-]S(=O)(=O)CCOCC2CC2)nc1	ZINC000581661529	336119660	/nfs/dbraw/zinc/11/96/60/336119660.db2.gz	NJEHDZVRUYNJPC-UHFFFAOYSA-N	-1	0	281.337	0.543	20	30		CCEDRM
N#Cc1cncc(N2CCC[C@@H](c3n[nH]c(=O)[n-]3)C2)n1	ZINC000581881162	336158508	/nfs/dbraw/zinc/15/85/08/336158508.db2.gz	DLSOGMAMCGZTTB-MRVPVSSYSA-N	-1	0	271.284	0.556	20	30		CCEDRM
CC[C@@H](CO)[N-]S(=O)(=O)c1c(F)cc(C#N)cc1F	ZINC000157931801	522572281	/nfs/dbraw/zinc/57/22/81/522572281.db2.gz	PXXAIFWNSCJMGZ-QMMMGPOBSA-N	-1	0	290.291	0.886	20	30		CCEDRM
N#CCc1ccc(CS(=O)(=O)c2n[nH]c(=O)[n-]2)cc1	ZINC000350185969	534719237	/nfs/dbraw/zinc/71/92/37/534719237.db2.gz	ZQIXSULSOUISFN-UHFFFAOYSA-N	-1	0	278.293	0.550	20	30		CCEDRM
C[C@H](C#N)CNS(=O)(=O)c1ccc(C(=O)[O-])s1	ZINC000054156646	525922453	/nfs/dbraw/zinc/92/24/53/525922453.db2.gz	ZFCDQTPTWOSVBH-ZCFIWIBFSA-N	-1	0	274.323	0.884	20	30		CCEDRM
C=CCN=c1[n-]nc(S(=O)(=O)C[C@@H]2CCOC2)s1	ZINC000352752160	526520671	/nfs/dbraw/zinc/52/06/71/526520671.db2.gz	JIGTVELYHQBVKB-MRVPVSSYSA-N	-1	0	289.382	0.368	20	30		CCEDRM
C=C[C@H](CO)NC(=O)N=c1nc(CCC)[n-]s1	ZINC000350901979	527583340	/nfs/dbraw/zinc/58/33/40/527583340.db2.gz	QASANWCLGZABKO-SSDOTTSWSA-N	-1	0	256.331	0.581	20	30		CCEDRM
CC(C)Oc1ccc(=NC(=O)NC[C@@H](O)C2CC2)[n-]n1	ZINC000329057728	528130349	/nfs/dbraw/zinc/13/03/49/528130349.db2.gz	TUTCWMRIARIVLN-SNVBAGLBSA-N	-1	0	280.328	0.783	20	30		CCEDRM
CC1(C)CC[C@H](C(=O)NCCc2n[n-]c(=N)o2)O1	ZINC000329129206	529034381	/nfs/dbraw/zinc/03/43/81/529034381.db2.gz	ZYMUNUZXSNTGLZ-SSDOTTSWSA-N	-1	0	254.290	0.939	20	30		CCEDRM
CCCC[C@H](Nc1c(C#N)c(=O)n(C)c(=O)n1C)C(=O)[O-]	ZINC000263568049	535068997	/nfs/dbraw/zinc/06/89/97/535068997.db2.gz	YBGFFMWHHXBFAW-VIFPVBQESA-N	-1	0	294.311	0.011	20	30		CCEDRM
C=CC[C@@H](NS(=O)(=O)c1cn(C(C)C)cn1)C(=O)[O-]	ZINC000681557481	545456250	/nfs/dbraw/zinc/45/62/50/545456250.db2.gz	BAISZACYWXMKRI-SECBINFHSA-N	-1	0	287.341	0.772	20	30		CCEDRM
N#CCN(CC(=O)[O-])C(=O)c1cc(F)ccc1[N+](=O)[O-]	ZINC000739079010	581172566	/nfs/dbraw/zinc/17/25/66/581172566.db2.gz	OVPBVXOGQPJIEA-UHFFFAOYSA-N	-1	0	281.199	0.784	20	30		CCEDRM
C[C@@H]1CN(C(=O)[O-])CCN1S(=O)(=O)CCCC#N	ZINC000739153804	581185018	/nfs/dbraw/zinc/18/50/18/581185018.db2.gz	JTKHFEFMQAUMPP-SECBINFHSA-N	-1	0	275.330	0.304	20	30		CCEDRM
CC#CCS(=O)(=O)[N-]C(=O)CCCC(=O)NCCC	ZINC000791110307	581207735	/nfs/dbraw/zinc/20/77/35/581207735.db2.gz	BQBCEUVLXOFJSI-UHFFFAOYSA-N	-1	0	288.369	0.152	20	30		CCEDRM
C=CCC1(C(=O)[N-]S(=O)(=O)N(C)CCOC)CCC1	ZINC000791829608	581236206	/nfs/dbraw/zinc/23/62/06/581236206.db2.gz	IKUIAZILKJAESO-UHFFFAOYSA-N	-1	0	290.385	0.672	20	30		CCEDRM
C#CCCCCC(=O)[N-]S(=O)(=O)[C@H]1CCCOC1	ZINC000780623141	581237332	/nfs/dbraw/zinc/23/73/32/581237332.db2.gz	FBYYVOVOIKQWQC-NSHDSACASA-N	-1	0	273.354	0.805	20	30		CCEDRM
Cc1cc(C)n([C@H](C)CC(=O)N(CC#N)CC(=O)[O-])n1	ZINC000738371241	581278183	/nfs/dbraw/zinc/27/81/83/581278183.db2.gz	GMUAQIFDRPBFHM-LLVKDONJSA-N	-1	0	278.312	0.888	20	30		CCEDRM
N#CCCNS(=O)(=O)c1cc(C(=O)[O-])c(F)cc1F	ZINC000781959029	581282171	/nfs/dbraw/zinc/28/21/71/581282171.db2.gz	SVXMJELTWCDOSS-UHFFFAOYSA-N	-1	0	290.247	0.855	20	30		CCEDRM
CC[C@H](NN=C1CCCC[C@H]1S(C)(=O)=O)C(=O)[O-]	ZINC000793058553	581283295	/nfs/dbraw/zinc/28/32/95/581283295.db2.gz	VOWKTDVUWNMLBL-WCBMZHEXSA-N	-1	0	276.358	0.782	20	30		CCEDRM
CC[C@H](NN=C1C(=O)Nc2c1cccc2F)C(=O)[O-]	ZINC000793072669	581283696	/nfs/dbraw/zinc/28/36/96/581283696.db2.gz	URKGOTWCJAKJQO-QMMMGPOBSA-N	-1	0	265.244	0.935	20	30		CCEDRM
CCCCCCNC(=O)C(C#N)=C([O-])c1cnn(C)n1	ZINC000793123823	581284530	/nfs/dbraw/zinc/28/45/30/581284530.db2.gz	NGECXAVIZDRHHF-JTQLQIEISA-N	-1	0	277.328	0.834	20	30		CCEDRM
O=C([O-])Cn1cc(CN=Nc2cccc(Cl)n2)nn1	ZINC000793164622	581285882	/nfs/dbraw/zinc/28/58/82/581285882.db2.gz	WLBZJMVZNWNEQF-UHFFFAOYSA-N	-1	0	280.675	0.857	20	30		CCEDRM
CCc1ncncc1C(=O)[N-]S(=O)(=O)CC1(C#N)CC1	ZINC000793194471	581287757	/nfs/dbraw/zinc/28/77/57/581287757.db2.gz	LSIHOOHUJDVGRO-UHFFFAOYSA-N	-1	0	294.336	0.402	20	30		CCEDRM
N#C[C@H](NC(=O)CN(C[C@@H]1CCCO1)C(=O)[O-])C1CC1	ZINC000740304063	581322528	/nfs/dbraw/zinc/32/25/28/581322528.db2.gz	PWSQIYUEKOTPMY-QWRGUYRKSA-N	-1	0	281.312	0.564	20	30		CCEDRM
C#CCC[NH+]1CCC(NC(=O)[C@H]2CCCN2C(=O)[O-])CC1	ZINC000738457396	581331654	/nfs/dbraw/zinc/33/16/54/581331654.db2.gz	MXYKQNYBJYZKMZ-CYBMUJFWSA-N	-1	0	293.367	0.733	20	30		CCEDRM
C#CCSCCNC(=O)[C@@H]1CCC[C@H]1NC(=O)[O-]	ZINC000738470267	581343711	/nfs/dbraw/zinc/34/37/11/581343711.db2.gz	NPNWTSISBSWLGB-NXEZZACHSA-N	-1	0	270.354	0.905	20	30		CCEDRM
C=CCNC(=O)C[N@@H+](CCC)[C@H]1CCN(C(=O)[O-])C1	ZINC000738496005	581362373	/nfs/dbraw/zinc/36/23/73/581362373.db2.gz	TVLIIEPTSZNBBV-NSHDSACASA-N	-1	0	269.345	0.753	20	30		CCEDRM
C[C@@H]1C[C@H](C(=O)C(C#N)=C([O-])c2nccn2C)CO1	ZINC000784527912	581387186	/nfs/dbraw/zinc/38/71/86/581387186.db2.gz	XKIFJMHKBJYWFS-UTLUCORTSA-N	-1	0	261.281	0.737	20	30		CCEDRM
Cc1nn(C)c(Cl)c1S(=O)(=O)NCCC#N	ZINC000785281975	581404280	/nfs/dbraw/zinc/40/42/80/581404280.db2.gz	BGWGXRNWWLPWCP-UHFFFAOYSA-N	-1	0	262.722	0.574	20	30		CCEDRM
CC(C)N(C)S(=O)(=O)[N-]C(=O)CC(C)(C)C#N	ZINC000786395990	581439490	/nfs/dbraw/zinc/43/94/90/581439490.db2.gz	GPSNQNOEOMVLKM-UHFFFAOYSA-N	-1	0	261.347	0.627	20	30		CCEDRM
C=CCS(=O)(=O)[N-]C(=O)CCc1cncc(C)c1	ZINC000796997244	581457682	/nfs/dbraw/zinc/45/76/82/581457682.db2.gz	UEKODRTZZDQORW-UHFFFAOYSA-N	-1	0	268.338	0.955	20	30		CCEDRM
C=C(C)C[C@H](C)C(=O)[N-]S(=O)(=O)[C@H](C)C(=O)OC	ZINC000797306252	581464576	/nfs/dbraw/zinc/46/45/76/581464576.db2.gz	PBDSCXNIRLWSQC-DTWKUNHWSA-N	-1	0	277.342	0.596	20	30		CCEDRM
C=CCc1ccc(OCC(=O)[N-]OCCO)c(OC)c1	ZINC000787291797	581465093	/nfs/dbraw/zinc/46/50/93/581465093.db2.gz	CYYZCAOJMHEHME-UHFFFAOYSA-N	-1	0	281.308	0.843	20	30		CCEDRM
N#Cc1ccc(OCC(=O)OCCNC(=O)[O-])cc1	ZINC000739129037	581508766	/nfs/dbraw/zinc/50/87/66/581508766.db2.gz	PYUSZFIQZTWKRB-UHFFFAOYSA-N	-1	0	264.237	0.748	20	30		CCEDRM
N#Cc1ccc(OCC(=O)NCCC(=O)[O-])cc1F	ZINC000739128673	581508871	/nfs/dbraw/zinc/50/88/71/581508871.db2.gz	GRLBWKFBDUYWLY-UHFFFAOYSA-N	-1	0	266.228	0.667	20	30		CCEDRM
C[C@H]1CN(S(=O)(=O)CCCC#N)CC[C@H]1NC(=O)[O-]	ZINC000739188552	581519915	/nfs/dbraw/zinc/51/99/15/581519915.db2.gz	GBGFAYFLUIEKBS-VHSXEESVSA-N	-1	0	289.357	0.598	20	30		CCEDRM
CCN(CC(=O)[C@@H](C#N)C(=O)NC(C)C)C(=O)[O-]	ZINC000739384410	581543998	/nfs/dbraw/zinc/54/39/98/581543998.db2.gz	FXPNBKHZDHHYIU-MRVPVSSYSA-N	-1	0	255.274	0.220	20	30		CCEDRM
CC(C)n1cnc(S(=O)(=O)[N-]c2cnn(CC#N)c2)c1	ZINC000753953689	581566628	/nfs/dbraw/zinc/56/66/28/581566628.db2.gz	GCTNLYLWXAKHFO-UHFFFAOYSA-N	-1	0	294.340	0.985	20	30		CCEDRM
COC[C@H](C)S(=O)(=O)[N-]C(=O)c1ccc(C#N)nc1	ZINC000734714104	581580785	/nfs/dbraw/zinc/58/07/85/581580785.db2.gz	GASMYWLROGADQJ-QMMMGPOBSA-N	-1	0	283.309	0.048	20	30		CCEDRM
Cc1[nH]nc(C([O-])=C(C#N)C(=O)N2CCCC2)c1C	ZINC000734705413	581582650	/nfs/dbraw/zinc/58/26/50/581582650.db2.gz	DCPGKCSICFDUOR-JTQLQIEISA-N	-1	0	260.297	0.971	20	30		CCEDRM
CN(CCCC(=O)N1CCN(CC#N)CC1)C(=O)[O-]	ZINC000739665389	581589359	/nfs/dbraw/zinc/58/93/59/581589359.db2.gz	BFEMOEYNFVYWBP-UHFFFAOYSA-N	-1	0	268.317	0.044	20	30		CCEDRM
CN(CCCC(=O)NCC1CCN(CC#N)CC1)C(=O)[O-]	ZINC000739669000	581589919	/nfs/dbraw/zinc/58/99/19/581589919.db2.gz	VEZKPZLSJZVUHT-UHFFFAOYSA-N	-1	0	296.371	0.728	20	30		CCEDRM
CN(CCN1CCN(C(=O)[O-])CC1)c1ccc(C#N)cn1	ZINC000739686716	581593402	/nfs/dbraw/zinc/59/34/02/581593402.db2.gz	HUSPBNVACJTPKW-UHFFFAOYSA-N	-1	0	289.339	0.685	20	30		CCEDRM
C#Cc1ccc(C(=O)N[C@@H](CCC)c2nnn[n-]2)nc1	ZINC000735390224	581642557	/nfs/dbraw/zinc/64/25/57/581642557.db2.gz	TXNDKXNTGXDYOS-JTQLQIEISA-N	-1	0	270.296	0.847	20	30		CCEDRM
CSCC[C@@H](NC(=O)[O-])C(=O)N1CCO[C@H](C#N)C1	ZINC000740017711	581644557	/nfs/dbraw/zinc/64/45/57/581644557.db2.gz	OUOGSPZWORLLNK-RKDXNWHRSA-N	-1	0	287.341	0.127	20	30		CCEDRM
COCCNC(=O)C(C#N)=C([O-])c1cc(C)c(C)o1	ZINC000768168971	581646001	/nfs/dbraw/zinc/64/60/01/581646001.db2.gz	YTXXPPWNQCQHHX-JTQLQIEISA-N	-1	0	264.281	0.982	20	30		CCEDRM
CC#CCS(=O)(=O)[N-]C(=O)[C@H]1COc2ccccc2C1	ZINC000788072847	581658579	/nfs/dbraw/zinc/65/85/79/581658579.db2.gz	XJGDGMIDIPHNIP-GFCCVEGCSA-N	-1	0	293.344	0.707	20	30		CCEDRM
O=C([O-])Cn1cc(/C=C2/Cc3c(cccc3O)C2=O)nn1	ZINC000768850402	581659615	/nfs/dbraw/zinc/65/96/15/581659615.db2.gz	ZFSIKRNIBWKHAJ-YWEYNIOJSA-N	-1	0	285.259	0.891	20	30		CCEDRM
N#C[C@@H]1CN(C(=O)NCCCN(C(=O)[O-])C2CC2)CCO1	ZINC000740306670	581662920	/nfs/dbraw/zinc/66/29/20/581662920.db2.gz	IJACCGSILAZUGK-LLVKDONJSA-N	-1	0	296.327	0.453	20	30		CCEDRM
N#CCOc1ccc(CNC(=O)NCCNC(=O)[O-])cc1	ZINC000740305888	581663019	/nfs/dbraw/zinc/66/30/19/581663019.db2.gz	WLVNFVXJGNMIHJ-UHFFFAOYSA-N	-1	0	292.295	0.656	20	30		CCEDRM
N#CCCCCS(=O)(=O)N[C@H](CNC(=O)[O-])C1CC1	ZINC000740306146	581663090	/nfs/dbraw/zinc/66/30/90/581663090.db2.gz	DDHAZVMZWGLKFA-SNVBAGLBSA-N	-1	0	289.357	0.646	20	30		CCEDRM
N#Cc1cc(NC(=O)C(=O)NCCNC(=O)[O-])ccc1F	ZINC000740310552	581663966	/nfs/dbraw/zinc/66/39/66/581663966.db2.gz	IKFPGKHRWOOCTC-UHFFFAOYSA-N	-1	0	294.242	0.020	20	30		CCEDRM
N#C[C@H]1CN(C(=O)C2(NC(=O)[O-])CCCCC2)CCO1	ZINC000740309892	581664030	/nfs/dbraw/zinc/66/40/30/581664030.db2.gz	PEZCYFIBJWKZLX-JTQLQIEISA-N	-1	0	281.312	0.708	20	30		CCEDRM
COCCNC(=O)C(C#N)=C([O-])c1cc(OC)ccn1	ZINC000735910981	581670950	/nfs/dbraw/zinc/67/09/50/581670950.db2.gz	HMIVGZHKQAWGSF-SNVBAGLBSA-N	-1	0	277.280	0.175	20	30		CCEDRM
NC(=O)c1ccc(N=NCc2ccc(C(=O)[O-])[nH]2)nn1	ZINC000756843472	581680703	/nfs/dbraw/zinc/68/07/03/581680703.db2.gz	GBTOEIHFVCYHOX-UHFFFAOYSA-N	-1	0	274.240	0.048	20	30		CCEDRM
C#CCCN1CCN(C(=O)CCCN(C)C(=O)[O-])CC1	ZINC000736077418	581695367	/nfs/dbraw/zinc/69/53/67/581695367.db2.gz	UKPSSFSFCDOCGO-UHFFFAOYSA-N	-1	0	281.356	0.544	20	30		CCEDRM
C#CCSCCNC(=O)CCSCC(=O)[O-]	ZINC000736087095	581699419	/nfs/dbraw/zinc/69/94/19/581699419.db2.gz	BYXHBSMXBSTXEF-UHFFFAOYSA-N	-1	0	261.368	0.677	20	30		CCEDRM
Cn1ncc2c1nc(N=NC[C@H]1CCOC1)[n-]c2=O	ZINC000769817434	581708832	/nfs/dbraw/zinc/70/88/32/581708832.db2.gz	AMPFOEGOSLXJMA-SSDOTTSWSA-N	-1	0	262.273	0.503	20	30		CCEDRM
CC(C)n1ncc(C(=O)Nc2nc(C#N)c(C#N)[n-]2)c1N	ZINC000757808670	581710981	/nfs/dbraw/zinc/71/09/81/581710981.db2.gz	ZMUOEHCQHGTBQU-UHFFFAOYSA-N	-1	0	284.283	0.765	20	30		CCEDRM
C=CCN(C(=O)Cn1[n-]cc2c(=O)ncnc1-2)C(C)C	ZINC000730546820	581720181	/nfs/dbraw/zinc/72/01/81/581720181.db2.gz	VTUUDEJGJIOMJS-UHFFFAOYSA-N	-1	0	275.312	0.494	20	30		CCEDRM
CNC(=O)C(C#N)=C([O-])c1ccc(-c2ncon2)cc1	ZINC000730685696	581726724	/nfs/dbraw/zinc/72/67/24/581726724.db2.gz	BDWAKHZCRWGPLK-JTQLQIEISA-N	-1	0	270.248	0.805	20	30		CCEDRM
CC(C)[C@H](NC(=O)[O-])C(=O)N1CCO[C@@H](C#N)C1	ZINC000736365220	581752369	/nfs/dbraw/zinc/75/23/69/581752369.db2.gz	QKFCGMSCOUFKMD-IUCAKERBSA-N	-1	0	255.274	0.030	20	30		CCEDRM
CC(C)[C@H](NC(=O)[O-])C(=O)N1CCO[C@H](C#N)C1	ZINC000736365213	581752378	/nfs/dbraw/zinc/75/23/78/581752378.db2.gz	QKFCGMSCOUFKMD-BDAKNGLRSA-N	-1	0	255.274	0.030	20	30		CCEDRM
O=C([O-])CCOc1ccc(C=NN2C(=O)CNC2=O)cc1	ZINC000770615896	581756432	/nfs/dbraw/zinc/75/64/32/581756432.db2.gz	IYQYUPQZUXZNNZ-UHFFFAOYSA-N	-1	0	291.263	0.426	20	30		CCEDRM
C=CCNC(=O)c1cc(=O)n(-c2nc(C)cc(C)n2)[n-]1	ZINC000741740778	581761662	/nfs/dbraw/zinc/76/16/62/581761662.db2.gz	GRNXICPDDYYTMQ-UHFFFAOYSA-N	-1	0	273.296	0.488	20	30		CCEDRM
CC(C)NC(=O)[C@H](C#N)C(=O)CCCN(C)C(=O)[O-]	ZINC000736476931	581775808	/nfs/dbraw/zinc/77/58/08/581775808.db2.gz	ASSOUTJOCVTFBU-SECBINFHSA-N	-1	0	269.301	0.610	20	30		CCEDRM
O=C([O-])Cn1cc(/C=C\C(=O)c2cc(O)cc(O)c2)nn1	ZINC000759084240	581782628	/nfs/dbraw/zinc/78/26/28/581782628.db2.gz	UIYBAKJNSSDATC-UPHRSURJSA-N	-1	0	289.247	0.670	20	30		CCEDRM
N#Cc1ccc(CNC(=O)c2cc(=O)[nH][n-]2)c(F)c1	ZINC000732287744	581817437	/nfs/dbraw/zinc/81/74/37/581817437.db2.gz	DZIYHKGZVWJAMN-UHFFFAOYSA-N	-1	0	260.228	0.189	20	30		CCEDRM
C=CCCOCC(=O)[N-]S(=O)(=O)CC(F)(F)F	ZINC000744264665	581836943	/nfs/dbraw/zinc/83/69/43/581836943.db2.gz	BNQJLFZLAMZXRK-UHFFFAOYSA-N	-1	0	275.248	0.587	20	30		CCEDRM
C#CCCCCCOC(=O)Cn1[n-]cc2c(=O)ncnc1-2	ZINC000760256945	581851859	/nfs/dbraw/zinc/85/18/59/581851859.db2.gz	PKOJYMIVBLSAKX-UHFFFAOYSA-N	-1	0	288.307	0.808	20	30		CCEDRM
C=CCS(=O)(=O)[N-]C(=O)Cc1ccc2c(c1)OCO2	ZINC000772720328	581886085	/nfs/dbraw/zinc/88/60/85/581886085.db2.gz	IFLYDJJKFYHNOL-UHFFFAOYSA-N	-1	0	283.305	0.590	20	30		CCEDRM
CNC(=O)C(C#N)=C([O-])c1ccc2nccnc2c1	ZINC000761092896	581888008	/nfs/dbraw/zinc/88/80/08/581888008.db2.gz	JMKGNLLVVKCHKK-VIFPVBQESA-N	-1	0	254.249	0.698	20	30		CCEDRM
O=C([O-])COc1cccc(C=NN2CCOCC2)c1	ZINC000733200228	581890083	/nfs/dbraw/zinc/89/00/83/581890083.db2.gz	CGWWIKHQDITHAC-UHFFFAOYSA-N	-1	0	264.281	0.816	20	30		CCEDRM
CCN(CCC#N)C(=O)COC(=O)[C@H](NC(=O)[O-])C(C)C	ZINC000737094412	581902332	/nfs/dbraw/zinc/90/23/32/581902332.db2.gz	QJJWPBDTTRJSNJ-LLVKDONJSA-N	-1	0	299.327	0.584	20	30		CCEDRM
CCOCCO[N-]C(=O)C(=O)Nc1ccc(F)c(C#N)c1	ZINC000773625140	581936396	/nfs/dbraw/zinc/93/63/96/581936396.db2.gz	PPYUDXZBIXIIGJ-UHFFFAOYSA-N	-1	0	295.270	0.720	20	30		CCEDRM
C#Cc1cccc(NC(=O)C(=O)[N-]OC2CCOCC2)c1	ZINC000773633660	581936739	/nfs/dbraw/zinc/93/67/39/581936739.db2.gz	HZHCVCJJXOYDMG-UHFFFAOYSA-N	-1	0	288.303	0.833	20	30		CCEDRM
C[C@H](C(=O)N(C)CCC#N)N1C[C@H](C)N(C(=O)[O-])[C@@H](C)C1	ZINC000738602209	581940469	/nfs/dbraw/zinc/94/04/69/581940469.db2.gz	MQBLGQSNRGSWJN-SDDRHHMPSA-N	-1	0	296.371	0.820	20	30		CCEDRM
CCc1noc(CCCC(=O)N(CC#N)CC(=O)[O-])n1	ZINC000737291979	581941635	/nfs/dbraw/zinc/94/16/35/581941635.db2.gz	MNQYHEKZWDATPW-UHFFFAOYSA-N	-1	0	280.284	0.391	20	30		CCEDRM
C=CCS(=O)(=O)[N-]C(=O)CCCCc1c[nH]nn1	ZINC000774161286	581962539	/nfs/dbraw/zinc/96/25/39/581962539.db2.gz	MLMIAXVCORAQIT-UHFFFAOYSA-N	-1	0	272.330	0.150	20	30		CCEDRM
CN1CCN(N=Cc2ccc([N+](=O)[O-])c([O-])c2)CC1	ZINC000748132729	581963565	/nfs/dbraw/zinc/96/35/65/581963565.db2.gz	ZIFYVYCVANXSQU-UHFFFAOYSA-N	-1	0	264.285	0.882	20	30		CCEDRM
C=CCN(CC(=O)[O-])C(=O)c1cnn2ccc(C)nc12	ZINC000737527207	581973188	/nfs/dbraw/zinc/97/31/88/581973188.db2.gz	DYVAPXXXIGNAGM-UHFFFAOYSA-N	-1	0	274.280	0.751	20	30		CCEDRM
COCCS(=O)(=O)CC(=O)Nc1cc(C#N)ccc1[O-]	ZINC000748412116	581973975	/nfs/dbraw/zinc/97/39/75/581973975.db2.gz	JNFIZQMPZXFODP-UHFFFAOYSA-N	-1	0	298.320	0.264	20	30		CCEDRM
C[C@@](C#N)(NC(=O)CN1CCCC[C@H]1C(=O)[O-])C1CC1	ZINC000737560041	581979692	/nfs/dbraw/zinc/97/96/92/581979692.db2.gz	PPTTXVGHIDUILG-FZMZJTMJSA-N	-1	0	279.340	0.734	20	30		CCEDRM
COc1cc(CC(=O)N(CC#N)CC(=O)[O-])ccc1C	ZINC000737884335	582006275	/nfs/dbraw/zinc/00/62/75/582006275.db2.gz	RKLAGUGTWSMLCI-UHFFFAOYSA-N	-1	0	276.292	0.983	20	30		CCEDRM
CNc1ncc(C(=O)Nc2nc(C#N)c(C#N)[n-]2)s1	ZINC000763703864	582010236	/nfs/dbraw/zinc/01/02/36/582010236.db2.gz	XFIRMAWODLDJRC-UHFFFAOYSA-N	-1	0	273.281	0.904	20	30		CCEDRM
Cc1cn2ccnc(C([O-])=C(C#N)C(=O)NC(C)C)c2n1	ZINC000763929272	582021227	/nfs/dbraw/zinc/02/12/27/582021227.db2.gz	GSAKBUREGWKRGW-JTQLQIEISA-N	-1	0	285.307	0.885	20	30		CCEDRM
Cc1cn2ccnc(C([O-])=C(C#N)C(=O)NC(C)C)c2n1	ZINC000763929276	582021346	/nfs/dbraw/zinc/02/13/46/582021346.db2.gz	GSAKBUREGWKRGW-SNVBAGLBSA-N	-1	0	285.307	0.885	20	30		CCEDRM
CO[C@H](C)CS(=O)(=O)[N-]C(=O)c1cccc(CC#N)c1	ZINC000764174933	582033821	/nfs/dbraw/zinc/03/38/21/582033821.db2.gz	VFEQQQPQFGVDBB-SNVBAGLBSA-N	-1	0	296.348	0.847	20	30		CCEDRM
C=CCOCCCC(=O)[N-]S(=O)(=O)C[C@@H](C)OC	ZINC000764214095	582037226	/nfs/dbraw/zinc/03/72/26/582037226.db2.gz	CHUFWBGWCPMMDR-SNVBAGLBSA-N	-1	0	279.358	0.450	20	30		CCEDRM
CC[C@@H](OC)C(=O)[N-]S(=O)(=O)Cc1cccc(C#N)c1	ZINC000750420557	582043726	/nfs/dbraw/zinc/04/37/26/582043726.db2.gz	HJMCSZOTSFCKTH-GFCCVEGCSA-N	-1	0	296.348	0.929	20	30		CCEDRM
CC(C)(C#N)CS(=O)(=O)[N-]C(=O)CSCC#N	ZINC000776144204	582051497	/nfs/dbraw/zinc/05/14/97/582051497.db2.gz	MGRBKHTXYOPGMW-UHFFFAOYSA-N	-1	0	275.355	0.239	20	30		CCEDRM
CC1(OCC(=O)[N-]S(=O)(=O)CCCC#N)CCC1	ZINC000776115691	582051720	/nfs/dbraw/zinc/05/17/20/582051720.db2.gz	QRYDGSYCLFNYDE-UHFFFAOYSA-N	-1	0	274.342	0.695	20	30		CCEDRM
Cc1cccc(C(=O)[N-]S(=O)(=O)CCCC#N)n1	ZINC000776122525	582052863	/nfs/dbraw/zinc/05/28/63/582052863.db2.gz	RHYAPOSCEQSAJY-UHFFFAOYSA-N	-1	0	267.310	0.753	20	30		CCEDRM
CCO[C@H](CC)C(=O)[N-]S(=O)(=O)CC(C)(C)C#N	ZINC000776139098	582053298	/nfs/dbraw/zinc/05/32/98/582053298.db2.gz	UOSSNOAESODMBM-SECBINFHSA-N	-1	0	276.358	0.797	20	30		CCEDRM
C#CCNC(=O)c1ccc(N(C)CCCNC(=O)[O-])nc1	ZINC000738463106	582053906	/nfs/dbraw/zinc/05/39/06/582053906.db2.gz	MVNZLMBEKAGBLS-UHFFFAOYSA-N	-1	0	290.323	0.539	20	30		CCEDRM
Cn1ccc(C(=O)[N-]S(=O)(=O)CC(C)(C)C#N)c1	ZINC000776143448	582054030	/nfs/dbraw/zinc/05/40/30/582054030.db2.gz	GLJBYJILEMXZIM-UHFFFAOYSA-N	-1	0	269.326	0.634	20	30		CCEDRM
C#Cc1ccc(C(=O)NC[C@H]2CCCN2C(=O)[O-])nc1	ZINC000738468483	582054392	/nfs/dbraw/zinc/05/43/92/582054392.db2.gz	XBKSXZCTVRDLIC-LLVKDONJSA-N	-1	0	273.292	0.935	20	30		CCEDRM
C=CCOCC(=O)N1CCC[C@H](N(C)C(=O)[O-])C1	ZINC000738490506	582055339	/nfs/dbraw/zinc/05/53/39/582055339.db2.gz	BLSRWYGJWJCNIR-JTQLQIEISA-N	-1	0	256.302	0.790	20	30		CCEDRM
C=CCOCC(=O)N1CCC(CNC(=O)[O-])CC1	ZINC000738490889	582055591	/nfs/dbraw/zinc/05/55/91/582055591.db2.gz	DZAYXFYGVWUJNC-UHFFFAOYSA-N	-1	0	256.302	0.695	20	30		CCEDRM
C=CCOCC(=O)N1CC[C@H](NC(=O)[O-])[C@@H](C)C1	ZINC000738490421	582055653	/nfs/dbraw/zinc/05/56/53/582055653.db2.gz	ARWPKQIUEQIHOM-UWVGGRQHSA-N	-1	0	256.302	0.694	20	30		CCEDRM
C=CCOCC(=O)N1CC[C@H](NC(=O)[O-])[C@H](C)C1	ZINC000738490424	582055689	/nfs/dbraw/zinc/05/56/89/582055689.db2.gz	ARWPKQIUEQIHOM-ZJUUUORDSA-N	-1	0	256.302	0.694	20	30		CCEDRM
C=CCNC(=O)[C@H](C)N1C[C@H](C)N(C(=O)[O-])[C@@H](C)C1	ZINC000738494772	582055991	/nfs/dbraw/zinc/05/59/91/582055991.db2.gz	DTXNZJCFXQHCBA-DCAQKATOSA-N	-1	0	269.345	0.750	20	30		CCEDRM
C=CCNC(=O)COC(=O)c1ccc(NC(=O)[O-])cc1O	ZINC000738495917	582056790	/nfs/dbraw/zinc/05/67/90/582056790.db2.gz	QJMTVKQGLNIZJY-UHFFFAOYSA-N	-1	0	294.263	0.941	20	30		CCEDRM
C[C@@](C#N)(NC(=O)CN1CC[C@@H](NC(=O)[O-])C1)C1CC1	ZINC000738596090	582064430	/nfs/dbraw/zinc/06/44/30/582064430.db2.gz	FVJCEWWBPQDAKM-MFKMUULPSA-N	-1	0	280.328	0.137	20	30		CCEDRM
C[C@H](C#N)NC(=O)[C@H](Cc1ccccc1)NC(=O)[O-]	ZINC000738601093	582065160	/nfs/dbraw/zinc/06/51/60/582065160.db2.gz	KPCMLFPXRXYQGD-KOLCDFICSA-N	-1	0	261.281	0.894	20	30		CCEDRM
CC(C)(CC(=O)n1ncc(C#N)c1N)NC(=O)[O-]	ZINC000738738716	582072859	/nfs/dbraw/zinc/07/28/59/582072859.db2.gz	HZDJMKCBWPEUTF-UHFFFAOYSA-N	-1	0	251.246	0.413	20	30		CCEDRM
N#CC1(CS(=O)(=O)N[C@@H](CC(=O)[O-])C2CC2)CC1	ZINC000776574000	582078745	/nfs/dbraw/zinc/07/87/45/582078745.db2.gz	GZXDQFYGHZMMMB-VIFPVBQESA-N	-1	0	272.326	0.463	20	30		CCEDRM
C=CCN(CC(=O)[O-])S(=O)(=O)c1cccc2nonc21	ZINC000776681108	582086292	/nfs/dbraw/zinc/08/62/92/582086292.db2.gz	DDCHTRVBEFYKII-UHFFFAOYSA-N	-1	0	297.292	0.484	20	30		CCEDRM
CC(=NOCC(N)=O)c1cc(C(=O)[O-])c(C)nc1C	ZINC000776726617	582087836	/nfs/dbraw/zinc/08/78/36/582087836.db2.gz	RWSKBUZHWBHGCP-UHFFFAOYSA-N	-1	0	265.269	0.623	20	30		CCEDRM
N#CC1(C(=O)N[C@@H]2CCCN(C(=O)[O-])C2)CCOCC1	ZINC000739066204	582100501	/nfs/dbraw/zinc/10/05/01/582100501.db2.gz	HSBSXMITPVQLOP-SNVBAGLBSA-N	-1	0	281.312	0.565	20	30		CCEDRM
N#CCCCS(=O)(=O)N1CCSC[C@H]1CC(=O)[O-]	ZINC000739071945	582100939	/nfs/dbraw/zinc/10/09/39/582100939.db2.gz	BGWILZQXOGVIOK-SECBINFHSA-N	-1	0	292.382	0.512	20	30		CCEDRM
N#CCN(C1CC1)S(=O)(=O)c1ccc(CC(=O)[O-])cc1	ZINC000739076558	582101497	/nfs/dbraw/zinc/10/14/97/582101497.db2.gz	ZNEYZOPPDHENMD-UHFFFAOYSA-N	-1	0	294.332	0.990	20	30		CCEDRM
N#CCSCC(=O)Nc1ccn(CC(=O)[O-])n1	ZINC000739090953	582102065	/nfs/dbraw/zinc/10/20/65/582102065.db2.gz	BDZVZIBQLWEYOE-UHFFFAOYSA-N	-1	0	254.271	0.163	20	30		CCEDRM
N#Cc1cc(C(=O)[O-])cn(CC2CCOCC2)c1=O	ZINC000739091759	582102177	/nfs/dbraw/zinc/10/21/77/582102177.db2.gz	AQZPPGVRCKCQRC-UHFFFAOYSA-N	-1	0	262.265	0.845	20	30		CCEDRM
N#Cc1ccc(C(=O)N2CCSC[C@H]2CC(=O)[O-])cn1	ZINC000739102103	582102441	/nfs/dbraw/zinc/10/24/41/582102441.db2.gz	RQEXZUCAADARIZ-LLVKDONJSA-N	-1	0	291.332	0.986	20	30		CCEDRM
O=C([O-])Cn1cc(C=NOCc2ccccc2)nn1	ZINC000768481666	582107272	/nfs/dbraw/zinc/10/72/72/582107272.db2.gz	DTOLJCMXSCHLNC-UHFFFAOYSA-N	-1	0	260.253	0.913	20	30		CCEDRM
C#CCCCNC(=O)C[C@@H]1CN(C(=O)[O-])CCO1	ZINC000823445275	612981195	/nfs/dbraw/zinc/98/11/95/612981195.db2.gz	XDJDPMNMQQKNNQ-SNVBAGLBSA-N	-1	0	254.286	0.285	20	30		CCEDRM
C[C@H](NS(=O)(=O)c1cccc(F)c1C#N)C(=O)[O-]	ZINC000070393942	597373666	/nfs/dbraw/zinc/37/36/66/597373666.db2.gz	YDQAXMOXIZHEGD-LURJTMIESA-N	-1	0	272.257	0.449	20	30		CCEDRM
CN(CCC(=O)[O-])CCS(=O)(=O)c1cccc(C#N)c1	ZINC000163335332	597387315	/nfs/dbraw/zinc/38/73/15/597387315.db2.gz	LDYGDVKHQCOCKW-UHFFFAOYSA-N	-1	0	296.348	0.738	20	30		CCEDRM
C[C@](C#N)(CC(=O)[O-])C(=O)OCCN1CCCC1=O	ZINC000819866438	597616713	/nfs/dbraw/zinc/61/67/13/597616713.db2.gz	XAEZGYLQVGHRCH-GFCCVEGCSA-N	-1	0	268.269	0.157	20	30		CCEDRM
Cn1ncc2c1CCC[C@@H]2NC(=O)[C@@](C)(C#N)CC(=O)[O-]	ZINC000821315351	597634231	/nfs/dbraw/zinc/63/42/31/597634231.db2.gz	PFBUHYPBRJFYIH-IINYFYTJSA-N	-1	0	290.323	0.918	20	30		CCEDRM
Cn1c(Cl)cnc1CNC(=O)[C@@](C)(C#N)CC(=O)[O-]	ZINC000821277891	597643714	/nfs/dbraw/zinc/64/37/14/597643714.db2.gz	UAYVCDVVJVMXHM-LLVKDONJSA-N	-1	0	284.703	0.694	20	30		CCEDRM
C[C@](C#N)(CC(=O)[O-])C(=O)NC[C@@H](O)c1ccsc1	ZINC000819835954	597648244	/nfs/dbraw/zinc/64/82/44/597648244.db2.gz	YVFSZMOMILNHLF-BXKDBHETSA-N	-1	0	282.321	0.902	20	30		CCEDRM
C[C@](C#N)(CC(=O)[O-])C(=O)NC[C@@](C)(O)c1ccco1	ZINC000819832444	597649736	/nfs/dbraw/zinc/64/97/36/597649736.db2.gz	BIXUMJYTCSDQSZ-CHWSQXEVSA-N	-1	0	280.280	0.608	20	30		CCEDRM
C[C@](C#N)(CC(=O)[O-])C(=O)NCCc1ccc(O)c(O)c1	ZINC000819842121	597656612	/nfs/dbraw/zinc/65/66/12/597656612.db2.gz	JKLXCEZEKDHSSB-CQSZACIVSA-N	-1	0	292.291	0.761	20	30		CCEDRM
C[C@@](C#N)(CC(=O)[O-])C(=O)N[C@@H]1CCc2[nH]cnc2C1	ZINC000819832903	597657975	/nfs/dbraw/zinc/65/79/75/597657975.db2.gz	DKOKUXINVAPEAX-OQPBUACISA-N	-1	0	276.296	0.388	20	30		CCEDRM
C[C@](C#N)(CC(=O)[O-])C(=O)N[C@H]1CCCC2(C1)OCCO2	ZINC000819823441	597725925	/nfs/dbraw/zinc/72/59/25/597725925.db2.gz	UYOHCZRBIBFUAP-GXFFZTMASA-N	-1	0	296.323	0.793	20	30		CCEDRM
C[C@@](C#N)(CC(=O)[O-])C(=O)NCC[C@H]1CCOC1	ZINC000819835889	597816877	/nfs/dbraw/zinc/81/68/77/597816877.db2.gz	YLISYMRHPMHGJK-CABZTGNLSA-N	-1	0	254.286	0.534	20	30		CCEDRM
N#CCCCNC(=O)C(=O)Nc1cccc(CC(=O)[O-])c1	ZINC000821320342	597820160	/nfs/dbraw/zinc/82/01/60/597820160.db2.gz	LVCWTKLBMAVEEH-UHFFFAOYSA-N	-1	0	289.291	0.672	20	30		CCEDRM
N#Cc1ccc(CCC(=O)OCC(=O)NCC(=O)[O-])cc1	ZINC000821330277	597831130	/nfs/dbraw/zinc/83/11/30/597831130.db2.gz	YVLLQNKORISUQQ-UHFFFAOYSA-N	-1	0	290.275	0.235	20	30		CCEDRM
N#Cc1cnc(C(=O)NCCC(=O)[O-])c(Cl)c1	ZINC000821340283	598212477	/nfs/dbraw/zinc/21/24/77/598212477.db2.gz	ASNNEXYJBLCITE-UHFFFAOYSA-N	-1	0	253.645	0.811	20	30		CCEDRM
C[C@](C#N)(CC(=O)[O-])C(=O)Nc1ccc(CC(N)=O)cc1	ZINC000819849285	598223834	/nfs/dbraw/zinc/22/38/34/598223834.db2.gz	YSXSVPKSAMBINS-CQSZACIVSA-N	-1	0	289.291	0.657	20	30		CCEDRM
C[C@@](C#N)(CC(=O)[O-])C(=O)N[C@H]1CCc2nccn2C1	ZINC000819835522	598226049	/nfs/dbraw/zinc/22/60/49/598226049.db2.gz	WBLFJKXBWUHSNQ-ZANVPECISA-N	-1	0	276.296	0.319	20	30		CCEDRM
Cc1cnc(COC(=O)[C@@](C)(C#N)CC(=O)[O-])cn1	ZINC000821141177	598226405	/nfs/dbraw/zinc/22/64/05/598226405.db2.gz	ZLVJQUMACOVHDY-GFCCVEGCSA-N	-1	0	263.253	0.833	20	30		CCEDRM
Cc1nc2n(n1)C[C@@H](NC(=O)[C@@](C)(C#N)CC(=O)[O-])CC2	ZINC000821181845	598226453	/nfs/dbraw/zinc/22/64/53/598226453.db2.gz	MAOSXWMBKVVDPV-TVQRCGJNSA-N	-1	0	291.311	0.022	20	30		CCEDRM
Cc1cc(=O)n(C)cc1NC(=O)[C@](C)(C#N)CC(=O)[O-]	ZINC000820949240	598229392	/nfs/dbraw/zinc/22/93/92/598229392.db2.gz	IFQREGQKLKAPKC-ZDUSSCGKSA-N	-1	0	277.280	0.637	20	30		CCEDRM
C[C@@](C#N)(CC(=O)[O-])C(=O)NCCc1cscn1	ZINC000819842468	598230884	/nfs/dbraw/zinc/23/08/84/598230884.db2.gz	QMJRJKUSFBYLJS-NSHDSACASA-N	-1	0	267.310	0.806	20	30		CCEDRM
C#CCOCCOC(=O)C[C@H]1CSCCN1C(=O)[O-]	ZINC000823462431	612990481	/nfs/dbraw/zinc/99/04/81/612990481.db2.gz	ALSNFPNELYQHKJ-JTQLQIEISA-N	-1	0	287.337	0.665	20	30		CCEDRM
N#Cc1ccc(C(=O)Nc2ccn(CC(=O)[O-])n2)nc1	ZINC000123022060	599731017	/nfs/dbraw/zinc/73/10/17/599731017.db2.gz	WTTUNRJLZNCKIK-UHFFFAOYSA-N	-1	0	271.236	0.487	20	30		CCEDRM
C#CCSCC(=O)N(C)C[C@H](C)c1nnn[n-]1	ZINC000907349791	613008850	/nfs/dbraw/zinc/00/88/50/613008850.db2.gz	JCXQDZGENWDIPK-QMMMGPOBSA-N	-1	0	253.331	0.128	20	30		CCEDRM
O=C([O-])c1cc(F)ccc1Cn1ccc(C=NO)nc1=O	ZINC000740077455	600207574	/nfs/dbraw/zinc/20/75/74/600207574.db2.gz	IGKPPIMTKDIUHN-UHFFFAOYSA-N	-1	0	291.238	0.937	20	30		CCEDRM
N#CCN(CC(=O)[O-])CC(=O)NCCc1ccc(F)cc1	ZINC000833066803	601003354	/nfs/dbraw/zinc/00/33/54/601003354.db2.gz	JTMMTNIEXWQXPX-UHFFFAOYSA-N	-1	0	293.298	0.395	20	30		CCEDRM
N#C[C@H]1COCCN1CC(=O)Nc1ccc(C(=O)[O-])cc1	ZINC000833061347	601042211	/nfs/dbraw/zinc/04/22/11/601042211.db2.gz	AIPQJKPPGFLQKT-LBPRGKRZSA-N	-1	0	289.291	0.548	20	30		CCEDRM
C#CCSCC(=O)N[C@@H](C)c1nc(C(=O)OCC)n[nH]1	ZINC000898660257	613013009	/nfs/dbraw/zinc/01/30/09/613013009.db2.gz	RFNPPEAGZINZJY-QMMMGPOBSA-N	-1	0	296.352	0.525	20	30		CCEDRM
C#CCSCC(=O)[N-]OC(C)(C)C(=O)OCC	ZINC000897890949	613013066	/nfs/dbraw/zinc/01/30/66/613013066.db2.gz	KMRCAQRWYQXNIU-UHFFFAOYSA-N	-1	0	259.327	0.742	20	30		CCEDRM
C#CCSCC(=O)[N-]S(=O)(=O)CCCC#N	ZINC000892926393	613013154	/nfs/dbraw/zinc/01/31/54/613013154.db2.gz	SBEBRRRPBRZBOX-UHFFFAOYSA-N	-1	0	260.340	0.103	20	30		CCEDRM
N#C[C@H](C(=O)NC1CC1)C(=O)[C@@H]1CCC[C@H](C(=O)[O-])C1	ZINC000833062424	601237014	/nfs/dbraw/zinc/23/70/14/601237014.db2.gz	BIGFCRPMSPBTPB-YWVKMMECSA-N	-1	0	278.308	0.865	20	30		CCEDRM
Cc1cc(C)cc(OC[C@@H](O)CN(CC#N)CC(=O)[O-])c1	ZINC000832879220	601242312	/nfs/dbraw/zinc/24/23/12/601242312.db2.gz	ZTVQVVHWLUWUHU-ZDUSSCGKSA-N	-1	0	292.335	0.953	20	30		CCEDRM
Cn1cc(C#N)cc1C(=O)NCCSCCC(=O)[O-]	ZINC000833040315	601268167	/nfs/dbraw/zinc/26/81/67/601268167.db2.gz	AEACKEKQIMIPLU-UHFFFAOYSA-N	-1	0	281.337	0.834	20	30		CCEDRM
N#C[C@@]1(NC(=O)c2ccnc(C(=O)[O-])c2)CCSC1	ZINC000833064910	601282076	/nfs/dbraw/zinc/28/20/76/601282076.db2.gz	OWUCUFZMVMFZCC-LBPRGKRZSA-N	-1	0	277.305	0.909	20	30		CCEDRM
N#Cc1cccc([C@@H](NCc2nnnn2C2CC2)C(=O)[O-])c1	ZINC000833076773	601307646	/nfs/dbraw/zinc/30/76/46/601307646.db2.gz	YOLKCGRACUUUNH-CYBMUJFWSA-N	-1	0	298.306	0.795	20	30		CCEDRM
C[C@H]1CN(S(=O)(=O)c2cccc(C#N)c2)C[C@@H]1C(=O)[O-]	ZINC000111253074	601590312	/nfs/dbraw/zinc/59/03/12/601590312.db2.gz	GUIIRBMSFHBKJY-CABZTGNLSA-N	-1	0	294.332	0.899	20	30		CCEDRM
N#CCN(CC(=O)[O-])C(=O)c1csc(C=O)c1	ZINC000833066395	601631388	/nfs/dbraw/zinc/63/13/88/601631388.db2.gz	XJELCKODAZWMQJ-UHFFFAOYSA-N	-1	0	252.251	0.611	20	30		CCEDRM
N#Cc1cc(F)c(C(=O)N2CCOC[C@H]2C(=O)[O-])c(F)c1	ZINC000833068791	601683106	/nfs/dbraw/zinc/68/31/06/601683106.db2.gz	MIIMUOMAJGRPST-JTQLQIEISA-N	-1	0	296.229	0.762	20	30		CCEDRM
O=C([O-])c1cc(C=Nn2c(=S)[nH][nH]c2=S)c[nH]1	ZINC000814776851	601796789	/nfs/dbraw/zinc/79/67/89/601796789.db2.gz	GGKIXSULYZPWAN-UHFFFAOYSA-N	-1	0	269.311	0.764	20	30		CCEDRM
N#CCCN(CC(=O)NCCC(=O)[O-])Cc1ccco1	ZINC000833065415	601799559	/nfs/dbraw/zinc/79/95/59/601799559.db2.gz	BFEHCPIKMXBOGU-UHFFFAOYSA-N	-1	0	279.296	0.586	20	30		CCEDRM
C#CCNS(=O)(=O)c1ccc(Cl)c(C(=O)[O-])c1	ZINC000013077161	601832906	/nfs/dbraw/zinc/83/29/06/601832906.db2.gz	FVEPZSXZFZABHQ-UHFFFAOYSA-N	-1	0	273.697	0.950	20	30		CCEDRM
C[C@]1(C(=O)[O-])CCN(C(=O)c2ccc(C#N)nc2)C1	ZINC000828012756	602015304	/nfs/dbraw/zinc/01/53/04/602015304.db2.gz	MHOSCSOCUUKPEE-ZDUSSCGKSA-N	-1	0	259.265	0.890	20	30		CCEDRM
C[C@H](CC(=O)[O-])C(=O)[C@@H](C#N)C(=O)N1CCCC1	ZINC000827241477	602181295	/nfs/dbraw/zinc/18/12/95/602181295.db2.gz	WLOUPFWKWMXYIL-RKDXNWHRSA-N	-1	0	252.270	0.428	20	30		CCEDRM
COc1cc(C=NNCCC(=O)[O-])cc2c1OCCO2	ZINC000820764095	617179103	/nfs/dbraw/zinc/17/91/03/617179103.db2.gz	ZLLKJEVOYXBWBL-UHFFFAOYSA-N	-1	0	280.280	0.865	20	30		CCEDRM
Cn1c(=O)[nH]cc(C(=O)C=Cc2ccc(C(=O)[O-])o2)c1=O	ZINC000833037522	602300140	/nfs/dbraw/zinc/30/01/40/602300140.db2.gz	DBPVNAWELMOIKU-RQOWECAXSA-N	-1	0	290.231	0.673	20	30		CCEDRM
C#CCSCCNC(=O)[C@H](C)CN(C)C(=O)[O-]	ZINC000823466760	613017681	/nfs/dbraw/zinc/01/76/81/613017681.db2.gz	IBQAFVQIOYDQBB-SECBINFHSA-N	-1	0	258.343	0.715	20	30		CCEDRM
C[C@H](CC(=O)N1CCN(C2CC2)[C@@H](C#N)C1)NC(=O)[O-]	ZINC000824592157	602918670	/nfs/dbraw/zinc/91/86/70/602918670.db2.gz	SQUAIMVQZXROHR-KOLCDFICSA-N	-1	0	280.328	0.231	20	30		CCEDRM
Cn1cc(C#N)cc1C(=O)N[C@@H]1CCCN(C(=O)[O-])C1	ZINC000830990108	603540015	/nfs/dbraw/zinc/54/00/15/603540015.db2.gz	ZZOIRGFPFRZMLU-SNVBAGLBSA-N	-1	0	276.296	0.769	20	30		CCEDRM
COc1ncccc1C(=O)N1CCN(C(=O)[O-])C[C@@H]1C#N	ZINC000829663309	603595908	/nfs/dbraw/zinc/59/59/08/603595908.db2.gz	CFOWGEILBCVHTH-VIFPVBQESA-N	-1	0	290.279	0.418	20	30		CCEDRM
C[C@H](CC#N)N(C)CN1C[C@@H]2CN(C(=O)[O-])CCN2C1=O	ZINC000824544482	603602093	/nfs/dbraw/zinc/60/20/93/603602093.db2.gz	QSIPADNSKZRWTP-MNOVXSKESA-N	-1	0	295.343	0.278	20	30		CCEDRM
N#CCN1CCN(C(=O)c2ccc(CNC(=O)[O-])o2)CC1	ZINC000831102682	603626121	/nfs/dbraw/zinc/62/61/21/603626121.db2.gz	QRFNJTZLGWZVJK-UHFFFAOYSA-N	-1	0	292.295	0.329	20	30		CCEDRM
N#CC1(C(=O)O[C@@H]2CN(C(=O)[O-])CCC2=O)CCC1	ZINC000831071042	603839516	/nfs/dbraw/zinc/83/95/16/603839516.db2.gz	XDWAVGQIMDMVQI-SECBINFHSA-N	-1	0	266.253	0.545	20	30		CCEDRM
C[C@@H](CC#N)N(C)C(=O)[C@@]1(F)CCN(C(=O)[O-])C1	ZINC000824544793	603999167	/nfs/dbraw/zinc/99/91/67/603999167.db2.gz	SYIKKYINMVAMOW-GZMMTYOYSA-N	-1	0	257.265	0.839	20	30		CCEDRM
N#C[C@@H]1CCC[C@@H]1NC(=O)[C@H]1COCCN1C(=O)[O-]	ZINC000831077056	604029859	/nfs/dbraw/zinc/02/98/59/604029859.db2.gz	VZHCALHJNSHEFP-LPEHRKFASA-N	-1	0	267.285	0.174	20	30		CCEDRM
N#C[C@@H]1CCC[C@@H]1NC(=O)[C@@H]1COCCN1C(=O)[O-]	ZINC000831077054	604029964	/nfs/dbraw/zinc/02/99/64/604029964.db2.gz	VZHCALHJNSHEFP-GUBZILKMSA-N	-1	0	267.285	0.174	20	30		CCEDRM
N#C[C@@H]1CN(C(=O)[O-])CCN1C(=O)C#Cc1ccccc1	ZINC000831077364	604066417	/nfs/dbraw/zinc/06/64/17/604066417.db2.gz	ZOVHJVBOCOCJFT-CYBMUJFWSA-N	-1	0	283.287	0.752	20	30		CCEDRM
N#C[C@@H]1CN(C(=O)[O-])CCN1C(=O)/C=C/C1CCOCC1	ZINC000831076260	604067456	/nfs/dbraw/zinc/06/74/56/604067456.db2.gz	IUGNDFYITUVOGS-YYRQZUAOSA-N	-1	0	293.323	0.684	20	30		CCEDRM
CSCCCC(=O)N1CCN(C(=O)[O-])C[C@@H]1C#N	ZINC000829738277	604071539	/nfs/dbraw/zinc/07/15/39/604071539.db2.gz	XPMXFZANUJDFRT-VIFPVBQESA-N	-1	0	271.342	0.844	20	30		CCEDRM
N#Cc1ccc(CC(=O)N2CCN(C(=O)[O-])C[C@@H]2C#N)cc1	ZINC000831122505	604089370	/nfs/dbraw/zinc/08/93/70/604089370.db2.gz	JVQVWUYWBCIOHC-ZDUSSCGKSA-N	-1	0	298.302	0.815	20	30		CCEDRM
N#C[C@H](C(=O)[C@H]1CC[C@H](NC(=O)[O-])C1)C(=O)N1CCCC1	ZINC000831065950	604220177	/nfs/dbraw/zinc/22/01/77/604220177.db2.gz	UKBVGOLDTVDLKS-GARJFASQSA-N	-1	0	293.323	0.754	20	30		CCEDRM
N#Cc1ncn(CC(=O)Nc2ccc(F)c(C(=O)[O-])c2)n1	ZINC000833079801	604272854	/nfs/dbraw/zinc/27/28/54/604272854.db2.gz	ZJQCQCTZBQKHRR-UHFFFAOYSA-N	-1	0	289.226	0.626	20	30		CCEDRM
N#Cc1ncn(CC(=O)N[C@H](C(=O)[O-])c2cccs2)n1	ZINC000833079412	604299868	/nfs/dbraw/zinc/29/98/68/604299868.db2.gz	VHIXWAGYZMSDEY-JTQLQIEISA-N	-1	0	291.292	0.153	20	30		CCEDRM
N#Cc1ncn(CC(=O)N[C@@H](C(=O)[O-])C2CCCCC2)n1	ZINC000833078841	604336255	/nfs/dbraw/zinc/33/62/55/604336255.db2.gz	QIQCMLCTDDYMGW-GFCCVEGCSA-N	-1	0	291.311	0.299	20	30		CCEDRM
N#CCc1ccnc(NC(=O)C2(NC(=O)[O-])CC2)c1	ZINC000831109887	604524093	/nfs/dbraw/zinc/52/40/93/604524093.db2.gz	YJVWCVIUNBGCOO-UHFFFAOYSA-N	-1	0	260.253	0.886	20	30		CCEDRM
N#Cc1c(Cn2nc3n(c2=O)CCCC3)cccc1C(=O)[O-]	ZINC000833761104	604549448	/nfs/dbraw/zinc/54/94/48/604549448.db2.gz	NXVWXSZDNAGFPC-UHFFFAOYSA-N	-1	0	298.302	0.999	20	30		CCEDRM
C#CC[C@@H](NC(=O)Cc1csc(CC)n1)C(=O)[O-]	ZINC000910052005	613040299	/nfs/dbraw/zinc/04/02/99/613040299.db2.gz	KYRUZSOCTGVZKR-SECBINFHSA-N	-1	0	266.322	0.841	20	30		CCEDRM
C#CC[C@@H](NC(=O)[C@@H](OC)c1ccc(O)cc1)C(=O)[O-]	ZINC000910051402	613040855	/nfs/dbraw/zinc/04/08/55/613040855.db2.gz	ULAWSEXVKSXCHB-NEPJUHHUSA-N	-1	0	277.276	0.672	20	30		CCEDRM
C#CC[C@@H](NC(=O)c1cnn(CC2CC2)c1)C(=O)[O-]	ZINC000910048189	613042243	/nfs/dbraw/zinc/04/22/43/613042243.db2.gz	GMUDFZSPPPMDTO-LLVKDONJSA-N	-1	0	261.281	0.499	20	30		CCEDRM
C[C@H]1C[C@@H](C(=O)N(CC#N)CC(=O)[O-])CCC1=O	ZINC000833592768	604999833	/nfs/dbraw/zinc/99/98/33/604999833.db2.gz	OBQHNVZECZPBQE-IUCAKERBSA-N	-1	0	252.270	0.428	20	30		CCEDRM
C[C@H](CC#N)NS(=O)(=O)c1ccccc1C(=O)[O-]	ZINC000833516612	605023310	/nfs/dbraw/zinc/02/33/10/605023310.db2.gz	YTERDODINXHHQM-MRVPVSSYSA-N	-1	0	268.294	0.965	20	30		CCEDRM
CC(C)[C@@H](C#N)OC(=O)[C@H]1CN(C(=O)[O-])CCO1	ZINC000824054724	605069866	/nfs/dbraw/zinc/06/98/66/605069866.db2.gz	BXMBPSZUAGIOTJ-RKDXNWHRSA-N	-1	0	256.258	0.457	20	30		CCEDRM
N#Cc1c(Cn2nnnc2CNC(=O)[O-])cn2ccccc12	ZINC000831109189	605173978	/nfs/dbraw/zinc/17/39/78/605173978.db2.gz	CPCOJBCSDGZSIL-UHFFFAOYSA-N	-1	0	297.278	0.613	20	30		CCEDRM
N#Cc1ccc(COC(=O)[C@H](CC(N)=O)NC(=O)[O-])cc1	ZINC000833972257	605417235	/nfs/dbraw/zinc/41/72/35/605417235.db2.gz	XQGCZYNSKOXXKA-JTQLQIEISA-N	-1	0	291.263	0.113	20	30		CCEDRM
C[C@]1(C#N)CCCN(CCc2cn(CC(=O)[O-])nn2)C1	ZINC000833551529	605419661	/nfs/dbraw/zinc/41/96/61/605419661.db2.gz	NYLHHHYARSWTAY-CYBMUJFWSA-N	-1	0	277.328	0.531	20	30		CCEDRM
N#CCCCNC(=O)N1CCCN(C(=O)[O-])CC1	ZINC000833967342	605422824	/nfs/dbraw/zinc/42/28/24/605422824.db2.gz	DDOKMYYNQQSMMU-UHFFFAOYSA-N	-1	0	254.290	0.685	20	30		CCEDRM
CC(C)(C)[C@@H](C#N)NC(=O)c1cnc(C(=O)[O-])cn1	ZINC000833422674	605568440	/nfs/dbraw/zinc/56/84/40/605568440.db2.gz	GMTUBIAKDIVCBH-SECBINFHSA-N	-1	0	262.269	0.843	20	30		CCEDRM
N#CCN1CCN(Cc2ccc(NC(=O)[O-])nc2)CC1	ZINC000833967283	605583194	/nfs/dbraw/zinc/58/31/94/605583194.db2.gz	PREFQSVMFHKPKQ-UHFFFAOYSA-N	-1	0	275.312	0.813	20	30		CCEDRM
N#C[C@H](C(=O)Nc1ccccn1)C(=O)C1CN(C(=O)[O-])C1	ZINC000833961188	605586266	/nfs/dbraw/zinc/58/62/66/605586266.db2.gz	PCUWSNKRYQPMAU-VIFPVBQESA-N	-1	0	288.263	0.339	20	30		CCEDRM
N#CCCCNC(=O)C(=O)Nc1ccc(NC(=O)[O-])nc1	ZINC000833967470	605589075	/nfs/dbraw/zinc/58/90/75/605589075.db2.gz	FJKVVPNJWHEBLG-UHFFFAOYSA-N	-1	0	291.267	0.530	20	30		CCEDRM
Cn1cc(CCCN[C@H]2CN(C(=O)[O-])C[C@@H]2C#N)cn1	ZINC000833946606	605684634	/nfs/dbraw/zinc/68/46/34/605684634.db2.gz	IVYKMZCTBNNESQ-RYUDHWBXSA-N	-1	0	277.328	0.444	20	30		CCEDRM
N#Cc1cccc([C@@H]2CN(C(=O)CNC(=O)[O-])CCO2)c1	ZINC000833978820	605715567	/nfs/dbraw/zinc/71/55/67/605715567.db2.gz	YIDFFEQYLSTZAD-LBPRGKRZSA-N	-1	0	289.291	0.726	20	30		CCEDRM
C[C@H](CNC(=O)[O-])CNC(=O)c1ccc(C#N)nc1	ZINC000833806553	605810943	/nfs/dbraw/zinc/81/09/43/605810943.db2.gz	MKRHHGQPGBMQTB-QMMMGPOBSA-N	-1	0	262.269	0.587	20	30		CCEDRM
N#C[C@H]1CSCCN1C(=O)CC1CN(C(=O)[O-])C1	ZINC000833968855	605978515	/nfs/dbraw/zinc/97/85/15/605978515.db2.gz	YKGQRIXQLPWZKD-VIFPVBQESA-N	-1	0	269.326	0.454	20	30		CCEDRM
N#C[C@@]1(NC(=O)c2cnc(NC(=O)[O-])cn2)CCSC1	ZINC000833963211	606034290	/nfs/dbraw/zinc/03/42/90/606034290.db2.gz	IXTFDFWTTBMOJP-NSHDSACASA-N	-1	0	293.308	0.696	20	30		CCEDRM
O=C([O-])N1CCC[C@@H](C=NNC(=S)NC2CC2)C1	ZINC000834101386	606048019	/nfs/dbraw/zinc/04/80/19/606048019.db2.gz	XQTRGBQAIYTMQC-QMMMGPOBSA-N	-1	0	270.358	0.989	20	30		CCEDRM
N#C[C@H]1COCCN1C(=O)CCC1CCN(C(=O)[O-])CC1	ZINC000833967602	606059100	/nfs/dbraw/zinc/05/91/00/606059100.db2.gz	ROQQVWAEQQCWPL-LBPRGKRZSA-N	-1	0	295.339	0.908	20	30		CCEDRM
N#Cc1cc(C(=O)NC[C@H](NC(=O)[O-])C2CC2)c[nH]1	ZINC000833970835	606089428	/nfs/dbraw/zinc/08/94/28/606089428.db2.gz	UMMKZLHSMITLRA-JTQLQIEISA-N	-1	0	262.269	0.662	20	30		CCEDRM
C#CCCS(=O)(=O)[N-]C(=O)c1cncc(CC)c1	ZINC000810783568	613053805	/nfs/dbraw/zinc/05/38/05/613053805.db2.gz	VJVXBTMKFRPPLN-UHFFFAOYSA-N	-1	0	266.322	0.727	20	30		CCEDRM
C#CCCS(=O)(=O)[N-]C(=O)[C@H]1[C@@H]2CCCC[C@@H]21	ZINC000788071055	613053110	/nfs/dbraw/zinc/05/31/10/613053110.db2.gz	NVBPCBSKOZQYAM-URLYPYJESA-N	-1	0	255.339	0.892	20	30		CCEDRM
Cc1cc(C)n(N=CC2CC2)c(=O)c1-c1nnn[n-]1	ZINC000826265400	607885405	/nfs/dbraw/zinc/88/54/05/607885405.db2.gz	XQNWXTRPNPESQR-UHFFFAOYSA-N	-1	0	258.285	0.889	20	30		CCEDRM
C#C[C@@H](NC(=O)NCCCCC(=O)[O-])[C@H]1CCCO1	ZINC000840988729	613095566	/nfs/dbraw/zinc/09/55/66/613095566.db2.gz	LSCLRXJSKKNUDY-GHMZBOCLSA-N	-1	0	268.313	0.721	20	30		CCEDRM
C#CCN(CC(=O)[O-])S(=O)(=O)C[C@@H](C)CCC	ZINC000849219391	613103475	/nfs/dbraw/zinc/10/34/75/613103475.db2.gz	SQAQSDMTTXKEPK-JTQLQIEISA-N	-1	0	261.343	0.772	20	30		CCEDRM
C=CCO[N-]C(=O)[C@@H]1CS(=O)(=O)C[C@@H]1C(F)(F)F	ZINC000823421057	613884330	/nfs/dbraw/zinc/88/43/30/613884330.db2.gz	KCZMHEOWPYJKPE-RQJHMYQMSA-N	-1	0	287.259	0.443	20	30		CCEDRM
CC(C)CN(CCC#N)C(=O)[C@H]1CN(C(=O)[O-])CCO1	ZINC000824251581	614079105	/nfs/dbraw/zinc/07/91/05/614079105.db2.gz	KTBLVSGXHQEXPV-LLVKDONJSA-N	-1	0	283.328	0.763	20	30		CCEDRM
C#CCCCCC(=O)[N-]S(=O)(=O)CC(F)F	ZINC000851360612	612975723	/nfs/dbraw/zinc/97/57/23/612975723.db2.gz	HCCDPKCIDCXQHD-UHFFFAOYSA-N	-1	0	253.270	0.891	20	30		CCEDRM
COc1ccc(S(=O)(=O)NCC#N)cc1C(=O)[O-]	ZINC000040605476	617277789	/nfs/dbraw/zinc/27/77/89/617277789.db2.gz	AWQPQRYEBAFPJD-UHFFFAOYSA-N	-1	0	270.266	0.195	20	30		CCEDRM
COc1cccc(C=Nn2c(=O)[n-][nH]c2=O)c1O	ZINC000814232567	617295225	/nfs/dbraw/zinc/29/52/25/617295225.db2.gz	CISJAAMIWOHDSB-UHFFFAOYSA-N	-1	0	250.214	0.286	20	30		CCEDRM
C#CCCCC(=O)N(C)CC(=O)N1CCC(C(=O)[O-])CC1	ZINC000909201434	612974444	/nfs/dbraw/zinc/97/44/44/612974444.db2.gz	JIOFEUUISJIALY-UHFFFAOYSA-N	-1	0	294.351	0.572	20	30		CCEDRM
C#CCCCCCC(=O)N(C)Cc1nc(=O)o[n-]1	ZINC000880389317	612976017	/nfs/dbraw/zinc/97/60/17/612976017.db2.gz	GQHPUCFOMXWYDX-UHFFFAOYSA-N	-1	0	251.286	0.905	20	30		CCEDRM
C#CCCCCCC(=O)N1C[C@H](O)C[C@H]1C(=O)[O-]	ZINC000833361699	612976240	/nfs/dbraw/zinc/97/62/40/612976240.db2.gz	HVKMCDNGQOZTKT-MNOVXSKESA-N	-1	0	253.298	0.617	20	30		CCEDRM
C#CCOCCC(=O)N1CCC(CC(=O)[O-])CC1	ZINC000833364629	612977611	/nfs/dbraw/zinc/97/76/11/612977611.db2.gz	VNKVKLNPISRPKV-UHFFFAOYSA-N	-1	0	253.298	0.740	20	30		CCEDRM
C#CCOCCC(=O)N1CCCCC[C@@H]1C(=O)[O-]	ZINC000833364839	612977764	/nfs/dbraw/zinc/97/77/64/612977764.db2.gz	XYXASNAHHCOHIV-LLVKDONJSA-N	-1	0	253.298	0.882	20	30		CCEDRM
C#CCOCCC(=O)NC1(C(=O)[O-])CCCCC1	ZINC000819706107	612978972	/nfs/dbraw/zinc/97/89/72/612978972.db2.gz	OTCPIHQDJOSWJY-UHFFFAOYSA-N	-1	0	253.298	0.930	20	30		CCEDRM
C#CCCCNC(=O)C(=O)NC[C@@H](C(=O)[O-])C1CCC1	ZINC000853345315	612980120	/nfs/dbraw/zinc/98/01/20/612980120.db2.gz	QNNNHZMKLFYHRU-LLVKDONJSA-N	-1	0	280.324	0.133	20	30		CCEDRM
C#CCOCCC(=O)N[C@H](C(=O)[O-])c1ccccc1	ZINC000819706103	612980642	/nfs/dbraw/zinc/98/06/42/612980642.db2.gz	OMOXNQQXWPIRSN-ZDUSSCGKSA-N	-1	0	261.277	0.968	20	30		CCEDRM
C#CCCCNS(=O)(=O)CC1(CC(=O)[O-])CC1	ZINC000825605655	612982591	/nfs/dbraw/zinc/98/25/91/612982591.db2.gz	LNCHIUTZMNLWOH-UHFFFAOYSA-N	-1	0	259.327	0.574	20	30		CCEDRM
C#CCOCCNC(=O)NCc1cccc(C(=O)[O-])c1	ZINC000819706076	612987496	/nfs/dbraw/zinc/98/74/96/612987496.db2.gz	MBSOBCJVQJQQHJ-UHFFFAOYSA-N	-1	0	276.292	0.834	20	30		CCEDRM
C#CCO[N-]C(=O)[C@@H]1CSCN1C(=O)c1ccccc1	ZINC000812783449	612992677	/nfs/dbraw/zinc/99/26/77/612992677.db2.gz	PQWKOEBMMYVNAF-LBPRGKRZSA-N	-1	0	290.344	0.883	20	30		CCEDRM
C#CCO[N-]C(=O)[C@@H]1CC(c2ccccc2[N+](=O)[O-])=NO1	ZINC000812780969	612992746	/nfs/dbraw/zinc/99/27/46/612992746.db2.gz	CEOWEDBDSBIHAL-LBPRGKRZSA-N	-1	0	289.247	0.769	20	30		CCEDRM
C#CCO[N-]C(=O)[C@H]1CCCN1S(=O)(=O)CCCC	ZINC000855603314	612993045	/nfs/dbraw/zinc/99/30/45/612993045.db2.gz	MDZAPPDDVIPAKL-LLVKDONJSA-N	-1	0	288.369	0.262	20	30		CCEDRM
C#CCO[N-]C(=O)[C@]1(C2CCCC2)CCNC1=O	ZINC000862184236	612993296	/nfs/dbraw/zinc/99/32/96/612993296.db2.gz	CNYWQEDFOILCEW-ZDUSSCGKSA-N	-1	0	250.298	0.364	20	30		CCEDRM
C#CCO[C@@H](C)C(=O)N1CC[C@H](C(=O)[O-])C[C@@H]1C	ZINC000923155622	612995388	/nfs/dbraw/zinc/99/53/88/612995388.db2.gz	OWXXGPWFEWLAEF-DCAQKATOSA-N	-1	0	253.298	0.736	20	30		CCEDRM
C#CCO[C@@H](C)C(=O)N[C@@H]1CCCn2nc(C(=O)[O-])cc21	ZINC000908119036	612996898	/nfs/dbraw/zinc/99/68/98/612996898.db2.gz	YCNIHXAMWXZIEZ-VHSXEESVSA-N	-1	0	291.307	0.571	20	30		CCEDRM
C#CCO[C@H](C)C(=O)[N-]S(=O)(=O)c1ccccc1	ZINC000835027768	613002163	/nfs/dbraw/zinc/00/21/63/613002163.db2.gz	GUDCLNMSINEBIY-SNVBAGLBSA-N	-1	0	267.306	0.530	20	30		CCEDRM
C#CCO[C@H](C)C(=O)N[C@@H]1C[C@@H]2C[C@@H](C(=O)[O-])C[C@H]12	ZINC000907959319	613002750	/nfs/dbraw/zinc/00/27/50/613002750.db2.gz	NVGAOPWBWHPHPE-CSYMLDBXSA-N	-1	0	265.309	0.640	20	30		CCEDRM
C#CCO[C@H](C)C(=O)N[C@@]1(C(=O)[O-])C[C@@H](OCC)C1(C)C	ZINC000909599953	613003096	/nfs/dbraw/zinc/00/30/96/613003096.db2.gz	FETKCJJGYCHVCE-UEKVPHQBSA-N	-1	0	297.351	0.799	20	30		CCEDRM
C#CC[C@@H](NC(=O)/C=C/C1CCOCC1)C(=O)[O-]	ZINC000910054527	613039176	/nfs/dbraw/zinc/03/91/76/613039176.db2.gz	PIKFLISYQZSODH-SGUJLRQBSA-N	-1	0	251.282	0.562	20	30		CCEDRM
C#CC[C@@H](NC(=O)CC1CCN(OCC)CC1)C(=O)[O-]	ZINC000910051524	613039574	/nfs/dbraw/zinc/03/95/74/613039574.db2.gz	XENTVZISAGKNPI-GFCCVEGCSA-N	-1	0	282.340	0.633	20	30		CCEDRM
C#CC[C@@H](NC(=O)CCc1cc(C)on1)C(=O)[O-]	ZINC000910049001	613039730	/nfs/dbraw/zinc/03/97/30/613039730.db2.gz	QPUUSJCVZHDFNB-SNVBAGLBSA-N	-1	0	250.254	0.508	20	30		CCEDRM
C#CC[C@@H](NC(=O)Cc1cc(C2CC2)no1)C(=O)[O-]	ZINC000910049072	613040306	/nfs/dbraw/zinc/04/03/06/613040306.db2.gz	RZOQEUGOMOFRGT-SNVBAGLBSA-N	-1	0	262.265	0.687	20	30		CCEDRM
C#CC[C@@H](NC(=O)[C@@H](C)OCc1ccncc1)C(=O)[O-]	ZINC000910051385	613040563	/nfs/dbraw/zinc/04/05/63/613040563.db2.gz	UCRILHPJNCXDHJ-ZYHUDNBSSA-N	-1	0	276.292	0.579	20	30		CCEDRM
C#CC[C@@H](NC(=O)c1cc(CCC)on1)C(=O)[O-]	ZINC000910051712	613041867	/nfs/dbraw/zinc/04/18/67/613041867.db2.gz	ZCHIYPUZZDYFSE-SECBINFHSA-N	-1	0	250.254	0.833	20	30		CCEDRM
C#CC[C@@H](NC(=O)c1ccc(OC(F)F)cn1)C(=O)[O-]	ZINC000910051025	613042094	/nfs/dbraw/zinc/04/20/94/613042094.db2.gz	QLFIXYAULLGHGP-SECBINFHSA-N	-1	0	284.218	0.889	20	30		CCEDRM
C#CC[C@@H](NC(=O)c1cncnc1C1CC1)C(=O)[O-]	ZINC000910050879	613042205	/nfs/dbraw/zinc/04/22/05/613042205.db2.gz	PHGZQLBQGOQGJH-SNVBAGLBSA-N	-1	0	259.265	0.560	20	30		CCEDRM
C#CC[C@@H](NC(=O)c1cnc2n1CCCC2)C(=O)[O-]	ZINC000910049049	613042302	/nfs/dbraw/zinc/04/23/02/613042302.db2.gz	RXIQZQKBVMPANU-SECBINFHSA-N	-1	0	261.281	0.426	20	30		CCEDRM
C#CC[C@@H](OC(=O)CN1CCN(C(=O)[O-])CC1=O)C(C)C	ZINC000823441000	613043421	/nfs/dbraw/zinc/04/34/21/613043421.db2.gz	PGNLLWHWNIRBGP-LLVKDONJSA-N	-1	0	296.323	0.400	20	30		CCEDRM
C#CC[C@@H]1CCCN(C(=O)[C@@H]2CC[C@H](C(=O)[O-])O2)C1	ZINC000851615395	613044836	/nfs/dbraw/zinc/04/48/36/613044836.db2.gz	DFVPSOACEGSXIW-GRYCIOLGSA-N	-1	0	265.309	0.881	20	30		CCEDRM
C#CCCNS(=O)(=O)c1cccc(F)c1C(=O)[O-]	ZINC000833365175	613048153	/nfs/dbraw/zinc/04/81/53/613048153.db2.gz	LOJMJDIYMBZDAS-UHFFFAOYSA-N	-1	0	271.269	0.826	20	30		CCEDRM
C#CCCS(=O)(=O)[N-]C(=O)C(C1CC1)C1CC1	ZINC000810782941	613052508	/nfs/dbraw/zinc/05/25/08/613052508.db2.gz	XYLQTSRLWFBJPJ-UHFFFAOYSA-N	-1	0	255.339	0.892	20	30		CCEDRM
C#CCCS(=O)(=O)[N-]C(=O)C(C)(C)c1cccnc1	ZINC000810779186	613052568	/nfs/dbraw/zinc/05/25/68/613052568.db2.gz	CCILNWLGISLDBS-UHFFFAOYSA-N	-1	0	280.349	0.829	20	30		CCEDRM
C#CCCS(=O)(=O)[N-]C(=O)Cn1cc(Cl)cn1	ZINC000810786078	613053055	/nfs/dbraw/zinc/05/30/55/613053055.db2.gz	ZGKADHAHIJHPHZ-UHFFFAOYSA-N	-1	0	275.717	0.006	20	30		CCEDRM
C#CCCS(=O)(=O)[N-]C(=O)c1cc([N+](=O)[O-])ccc1C	ZINC000810784527	613053522	/nfs/dbraw/zinc/05/35/22/613053522.db2.gz	ITSHYAUJAFQUDZ-UHFFFAOYSA-N	-1	0	296.304	0.986	20	30		CCEDRM
C#CCCS(=O)(=O)[N-]C(=O)c1cccc([S@@](C)=O)c1	ZINC000810785210	613053626	/nfs/dbraw/zinc/05/36/26/613053626.db2.gz	BFMOAVROFPWHII-GOSISDBHSA-N	-1	0	299.373	0.507	20	30		CCEDRM
C#CCCS(=O)(=O)[N-]C(=O)c1cc(CC)c[nH]c1=O	ZINC000850999231	613053635	/nfs/dbraw/zinc/05/36/35/613053635.db2.gz	AUVDENHXWYDHKG-UHFFFAOYSA-N	-1	0	282.321	0.433	20	30		CCEDRM
C#CCCS(=O)(=O)[N-]C(=O)c1ccnn1C(F)F	ZINC000850999506	613053725	/nfs/dbraw/zinc/05/37/25/613053725.db2.gz	FDWWLEMSDBXLPW-UHFFFAOYSA-N	-1	0	277.252	0.361	20	30		CCEDRM
C#CCCS(=O)(=O)[N-]C(=O)c1cccc2[nH]c(=O)oc21	ZINC000810782352	613053794	/nfs/dbraw/zinc/05/37/94/613053794.db2.gz	NNGJXTYSNQFWJN-UHFFFAOYSA-N	-1	0	294.288	0.616	20	30		CCEDRM
C#CCCS(=O)(=O)[N-]C(=O)c1nn(C)c2c1CCCC2	ZINC000835372139	613053929	/nfs/dbraw/zinc/05/39/29/613053929.db2.gz	QOSOPJBISSXTKM-UHFFFAOYSA-N	-1	0	295.364	0.382	20	30		CCEDRM
C#CCC[C@H](O)CNC(=O)c1cc([N+](=O)[O-])ccc1[O-]	ZINC000799077746	613063467	/nfs/dbraw/zinc/06/34/67/613063467.db2.gz	OZMLOFBNKTYNAY-JTQLQIEISA-N	-1	0	278.264	0.805	20	30		CCEDRM
C#CCN(C(=O)C(=O)NC[C@H](C)C(=O)[O-])C1CCCC1	ZINC000848609961	613065101	/nfs/dbraw/zinc/06/51/01/613065101.db2.gz	QBSFWVLLUUQYCJ-JTQLQIEISA-N	-1	0	280.324	0.228	20	30		CCEDRM
C#CC[C@H](NC(=O)C[C@@H]1CC[C@H](C2CC2)O1)C(=O)[O-]	ZINC000923090049	613068124	/nfs/dbraw/zinc/06/81/24/613068124.db2.gz	PDVJVMSBLVUBBW-SDDRHHMPSA-N	-1	0	265.309	0.927	20	30		CCEDRM
C#CC[C@H](NC(=O)[C@H](C)Oc1ccccn1)C(=O)[O-]	ZINC000910051458	613069344	/nfs/dbraw/zinc/06/93/44/613069344.db2.gz	VPOOLHZUBXAGQM-UWVGGRQHSA-N	-1	0	262.265	0.442	20	30		CCEDRM
C#CC[C@H](NC(=O)[C@H]1C[C@@H]1c1cnn(C)c1)C(=O)[O-]	ZINC000910052637	613069668	/nfs/dbraw/zinc/06/96/68/613069668.db2.gz	DGYVGAJDEIYMJI-VWYCJHECSA-N	-1	0	261.281	0.116	20	30		CCEDRM
C#CC[C@H](NC(=O)c1scnc1CC)C(=O)[O-]	ZINC000910051437	613070870	/nfs/dbraw/zinc/07/08/70/613070870.db2.gz	VGAYTPCUPGGGNG-QMMMGPOBSA-N	-1	0	252.295	0.912	20	30		CCEDRM
C#CC[C@H]1CCCN(C(=O)Cn2[n-]cc3c(=O)ncnc2-3)C1	ZINC000843674682	613072169	/nfs/dbraw/zinc/07/21/69/613072169.db2.gz	JTJAIUWEGGAUMS-NSHDSACASA-N	-1	0	299.334	0.333	20	30		CCEDRM
C#C[C@@H](C)N(C)C(=O)c1cc(S(N)(=O)=O)ccc1[O-]	ZINC000834552614	613079543	/nfs/dbraw/zinc/07/95/43/613079543.db2.gz	QOVGCNVTSAUWNT-MRVPVSSYSA-N	-1	0	282.321	0.133	20	30		CCEDRM
C#C[C@@H](C)N(C)S(=O)(=O)c1cc(C(=O)[O-])n(C)c1	ZINC000906957543	613079751	/nfs/dbraw/zinc/07/97/51/613079751.db2.gz	OVKZOWSKWBVRNF-MRVPVSSYSA-N	-1	0	270.310	0.366	20	30		CCEDRM
C#C[C@@H](CC)NC(=O)c1cc(=O)n(-c2nc(C)cc(C)n2)[n-]1	ZINC000907713051	613084306	/nfs/dbraw/zinc/08/43/06/613084306.db2.gz	ADSJZPXKQPWOHK-NSHDSACASA-N	-1	0	299.334	0.714	20	30		CCEDRM
C#C[C@@H](NC(=O)C1(C(=O)[O-])CCCC1)[C@@H]1CCCO1	ZINC000911580786	613091672	/nfs/dbraw/zinc/09/16/72/613091672.db2.gz	UFBQABWMXMPQRU-MNOVXSKESA-N	-1	0	265.309	0.928	20	30		CCEDRM
C#CCN(CC#CC)C(=O)CCCCNC(=O)[O-]	ZINC000833787603	613099472	/nfs/dbraw/zinc/09/94/72/613099472.db2.gz	VJNZSFJLEYLNRY-UHFFFAOYSA-N	-1	0	250.298	0.909	20	30		CCEDRM
C#C[C@@H](NC(=O)[C@@H](C)CC(=O)[O-])C1CCOCC1	ZINC000911793419	613097898	/nfs/dbraw/zinc/09/78/98/613097898.db2.gz	VOYZLNXLVBGGAD-GXSJLCMTSA-N	-1	0	253.298	0.642	20	30		CCEDRM
C#C[C@@H](NC(=O)[C@H]1C[C@@H](C)[C@H](C(=O)[O-])O1)C1CCOCC1	ZINC000911787629	613098464	/nfs/dbraw/zinc/09/84/64/613098464.db2.gz	AHCLEOREQIHFRY-OJAKKHQRSA-N	-1	0	295.335	0.409	20	30		CCEDRM
C#CCN(CC#C)C(=O)C1CCC(NC(=O)[O-])CC1	ZINC000823451660	613098676	/nfs/dbraw/zinc/09/86/76/613098676.db2.gz	ZOHGSTCEGKVDBH-UHFFFAOYSA-N	-1	0	262.309	0.908	20	30		CCEDRM
C#CCN(CC#CC)C(=O)[C@@H]1CC[C@H](CCC(=O)[O-])O1	ZINC000872709220	613100078	/nfs/dbraw/zinc/10/00/78/613100078.db2.gz	KOBMRXQBLSKZFF-OLZOCXBDSA-N	-1	0	277.320	0.884	20	30		CCEDRM
C#CCN(CC#CC)C(=O)[C@H]1CC[C@@H](NC(=O)[O-])C1	ZINC000823451394	613100273	/nfs/dbraw/zinc/10/02/73/613100273.db2.gz	TWLFDFLAABSBQZ-NWDGAFQWSA-N	-1	0	262.309	0.908	20	30		CCEDRM
C#C[C@@H]1COCCN1C(=O)c1ccc2oc(=O)nc-2[n-]1	ZINC000854917036	613111156	/nfs/dbraw/zinc/11/11/56/613111156.db2.gz	KVSDJNNVIXWPFK-MRVPVSSYSA-N	-1	0	273.248	0.403	20	30		CCEDRM
C#CCN1CC(N2CCN(C(=O)c3ccccc3O)CC2)C1	ZINC000941320376	613115742	/nfs/dbraw/zinc/11/57/42/613115742.db2.gz	ZSUNLEDPSWKATK-UHFFFAOYSA-N	-1	0	299.374	0.467	20	30		CCEDRM
C#C[C@H](CO)NC(=O)c1cc(C#N)c(SC)[n-]c1=O	ZINC000854765651	613128926	/nfs/dbraw/zinc/12/89/26/613128926.db2.gz	OZGKZWUAKGUDGV-MRVPVSSYSA-N	-1	0	277.305	0.105	20	30		CCEDRM
C#C[C@H](NC(=O)CC1(C(=O)[O-])CCOCC1)[C@H]1CCCO1	ZINC000911581283	613132639	/nfs/dbraw/zinc/13/26/39/613132639.db2.gz	XFHOTLUVBWRWTQ-NWDGAFQWSA-N	-1	0	295.335	0.555	20	30		CCEDRM
C#C[C@H](NC(=O)CCCn1c(=O)[n-][nH]c1=O)C(C)(C)C	ZINC000908223367	613133070	/nfs/dbraw/zinc/13/30/70/613133070.db2.gz	ARHJZPXAWOAILD-VIFPVBQESA-N	-1	0	280.328	0.634	20	30		CCEDRM
C#C[C@H](NC(=O)[C@H]1CC[C@@H](C(=O)[O-])C1)[C@@H]1CCCO1	ZINC000911581741	613147604	/nfs/dbraw/zinc/14/76/04/613147604.db2.gz	ZPUFWNOFEIPIAC-USZNOCQGSA-N	-1	0	265.309	0.784	20	30		CCEDRM
C#C[C@H](NC(=O)c1ccc(C(=O)[O-])cn1)C1CCOCC1	ZINC000911789739	613148777	/nfs/dbraw/zinc/14/87/77/613148777.db2.gz	HIAHOXGIBWQCKW-LBPRGKRZSA-N	-1	0	288.303	0.938	20	30		CCEDRM
C#Cc1ccc(C(=O)N2CC[C@@H](OC)C[C@H]2C(=O)[O-])nc1	ZINC000833368174	613172977	/nfs/dbraw/zinc/17/29/77/613172977.db2.gz	IIMRYLVGCMILAO-YPMHNXCESA-N	-1	0	288.303	0.767	20	30		CCEDRM
C#Cc1ccc(C(=O)N2CC[C@@H](OC)C[C@@H]2C(=O)[O-])nc1	ZINC000833368172	613172986	/nfs/dbraw/zinc/17/29/86/613172986.db2.gz	IIMRYLVGCMILAO-DGCLKSJQSA-N	-1	0	288.303	0.767	20	30		CCEDRM
C#Cc1ccc(C(=O)N2C[C@H](C(=O)[O-])[C@H](C)C2)nc1	ZINC000825636887	613174742	/nfs/dbraw/zinc/17/47/42/613174742.db2.gz	WLRKYTPIZAVKSK-KOLCDFICSA-N	-1	0	258.277	0.856	20	30		CCEDRM
C#Cc1ccc(C(=O)N[C@](C)(COC)C(=O)[O-])nc1	ZINC000825636826	613192922	/nfs/dbraw/zinc/19/29/22/613192922.db2.gz	UZBWJAOAMHBNNB-CYBMUJFWSA-N	-1	0	262.265	0.282	20	30		CCEDRM
C#Cc1cccc(CNC(=O)C(=O)[N-]OCCOCC)c1	ZINC000817846707	613199584	/nfs/dbraw/zinc/19/95/84/613199584.db2.gz	WPKLAIHOVXVGGO-UHFFFAOYSA-N	-1	0	290.319	0.368	20	30		CCEDRM
C#CCN1CCC[C@H]1C(=O)N[C@@H](CSC)C(=O)[O-]	ZINC000910874356	613201483	/nfs/dbraw/zinc/20/14/83/613201483.db2.gz	VUJZDRABXHQEOW-UWVGGRQHSA-N	-1	0	270.354	0.016	20	30		CCEDRM
C#CCN1CCC[C@H]1C(=O)N[C@H](CC(C)C)C(=O)[O-]	ZINC000817668575	613202002	/nfs/dbraw/zinc/20/20/02/613202002.db2.gz	MBNOWCHMEJBPAW-NEPJUHHUSA-N	-1	0	266.341	0.700	20	30		CCEDRM
C#Cc1ccccc1CC(=O)NCC(=O)[N-]OCC	ZINC000846491776	613206145	/nfs/dbraw/zinc/20/61/45/613206145.db2.gz	UOVGUSBIXVJHDL-UHFFFAOYSA-N	-1	0	260.293	0.394	20	30		CCEDRM
C#Cc1ccccc1CC(=O)[N-]S(=O)(=O)[C@H]1CCOC1	ZINC000810584590	613207026	/nfs/dbraw/zinc/20/70/26/613207026.db2.gz	FJSKKMSCEBKFMJ-ZDUSSCGKSA-N	-1	0	293.344	0.445	20	30		CCEDRM
C#Cc1cncc(C(=O)NCCSCC(=O)[O-])c1	ZINC000909230181	613216902	/nfs/dbraw/zinc/21/69/02/613216902.db2.gz	TWZROIIBNPFTAB-UHFFFAOYSA-N	-1	0	264.306	0.611	20	30		CCEDRM
C=C(Br)Cn1nnnc1CNC(=O)[O-]	ZINC000823474345	613239729	/nfs/dbraw/zinc/23/97/29/613239729.db2.gz	OBSRRBLVJSBQJR-UHFFFAOYSA-N	-1	0	262.067	0.349	20	30		CCEDRM
C/C(=C/CN(CCC#N)CCN1CCOCC1)C(=O)[O-]	ZINC000825729983	613241460	/nfs/dbraw/zinc/24/14/60/613241460.db2.gz	PAKPGXUSOZHWHF-DXNYSGJVSA-N	-1	0	281.356	0.565	20	30		CCEDRM
C=C(C)C(C)(C)C(=O)[N-]S(=O)(=O)c1cnccn1	ZINC000820263101	613244609	/nfs/dbraw/zinc/24/46/09/613244609.db2.gz	IYQVDFFGLZIQOZ-UHFFFAOYSA-N	-1	0	269.326	0.884	20	30		CCEDRM
C=C(C)CO[N-]C(=O)C(=O)Nc1cc(OC)ncn1	ZINC000846147673	613352352	/nfs/dbraw/zinc/35/23/52/613352352.db2.gz	ZNVYQSDKGUKNKL-UHFFFAOYSA-N	-1	0	266.257	0.048	20	30		CCEDRM
C=C(C)CO[N-]C(=O)CN1CCC[C@H](C(=O)OC)C1=O	ZINC000824028675	613352566	/nfs/dbraw/zinc/35/25/66/613352566.db2.gz	OWZKMGYCKNFPSV-JTQLQIEISA-N	-1	0	284.312	0.022	20	30		CCEDRM
C=C(C)CO[N-]C(=O)Cn1nc2n(c1=O)CCCC2	ZINC000846531911	613352657	/nfs/dbraw/zinc/35/26/57/613352657.db2.gz	IOZNWSROGQLAQZ-UHFFFAOYSA-N	-1	0	266.301	0.005	20	30		CCEDRM
C=C(C)CO[N-]C(=O)[C@@H](NS(C)(=O)=O)C(C)(C)C	ZINC000846536404	613353836	/nfs/dbraw/zinc/35/38/36/613353836.db2.gz	JTCOTPQIANGHNG-SECBINFHSA-N	-1	0	278.374	0.574	20	30		CCEDRM
C=C(C)C[C@@H](NC(=O)CSCC(=O)[O-])C(=O)OC	ZINC000902321845	613355738	/nfs/dbraw/zinc/35/57/38/613355738.db2.gz	MTOFJWWQPKQCEF-MRVPVSSYSA-N	-1	0	275.326	0.428	20	30		CCEDRM
C=C(C)C[C@H](C)C(=O)[N-]S(=O)(=O)CCC(=O)OC	ZINC000842355743	613357066	/nfs/dbraw/zinc/35/70/66/613357066.db2.gz	NDMXISOVNHVWPA-VIFPVBQESA-N	-1	0	277.342	0.598	20	30		CCEDRM
C=C(C)C[C@H](CO)NS(=O)(=O)c1c[nH]nc1Cl	ZINC000882846176	613358586	/nfs/dbraw/zinc/35/85/86/613358586.db2.gz	HAIYKZJVXXXPRZ-SSDOTTSWSA-N	-1	0	279.749	0.669	20	30		CCEDRM
C=C(C)C[C@H](NS(=O)(=O)C[C@H]1CCCOC1)C(=O)[O-]	ZINC000871995675	613359758	/nfs/dbraw/zinc/35/97/58/613359758.db2.gz	DYDFHCJGZQVBJF-QWRGUYRKSA-N	-1	0	291.369	0.752	20	30		CCEDRM
C=C(C)[C@H]1OCC[C@H]1C(=O)N1CC[C@@](OC)(C(=O)[O-])C1	ZINC000910218449	613362949	/nfs/dbraw/zinc/36/29/49/613362949.db2.gz	HYRBIEGXEZDTMR-GYSYKLTISA-N	-1	0	283.324	0.670	20	30		CCEDRM
C=C(Cl)C[C@@H](NC(=O)NCCOCCOC)C(=O)[O-]	ZINC000908889099	613388598	/nfs/dbraw/zinc/38/85/98/613388598.db2.gz	MKIKBEKHAPTBHZ-SECBINFHSA-N	-1	0	294.735	0.544	20	30		CCEDRM
C=C(Cl)C[C@@H](NC(=O)[C@@H](COC)OC)C(=O)[O-]	ZINC000864186493	613388605	/nfs/dbraw/zinc/38/86/05/613388605.db2.gz	QURFFTGWAGWQRZ-HTQZYQBOSA-N	-1	0	265.693	0.360	20	30		CCEDRM
C=C(Cl)C[C@H](NC(=O)NCc1nccn1C)C(=O)[O-]	ZINC000908938042	613390664	/nfs/dbraw/zinc/39/06/64/613390664.db2.gz	XJUBMHFLXYSADK-QMMMGPOBSA-N	-1	0	286.719	0.815	20	30		CCEDRM
C=C(Cl)C[C@H](NC(=O)COC[C@H]1CCCO1)C(=O)[O-]	ZINC000864185208	613390675	/nfs/dbraw/zinc/39/06/75/613390675.db2.gz	WDWFKGPBUQVZOC-ZJUUUORDSA-N	-1	0	291.731	0.894	20	30		CCEDRM
C=C(Cl)C[C@H](NC(=O)c1cnn(C)c1)C(=O)[O-]	ZINC000864185632	613390813	/nfs/dbraw/zinc/39/08/13/613390813.db2.gz	YCEHATBZYSFWBA-QMMMGPOBSA-N	-1	0	257.677	0.746	20	30		CCEDRM
C=C1CC(C)(C(=O)NCCn2cc(C(=O)[O-])nn2)C1	ZINC000909819060	613395580	/nfs/dbraw/zinc/39/55/80/613395580.db2.gz	YJRMOKSNYROTAS-UHFFFAOYSA-N	-1	0	264.285	0.449	20	30		CCEDRM
C=CC[C@@H](CO)CNC(=O)[C@H](CC(C)C)NC(=O)[O-]	ZINC000833369902	613402691	/nfs/dbraw/zinc/40/26/91/613402691.db2.gz	HEDGOYKMGABVRZ-MNOVXSKESA-N	-1	0	272.345	0.970	20	30		CCEDRM
C=CC[C@@H]1CCCN(C(=O)C(=O)NCCOCC(=O)[O-])C1	ZINC000884476797	613407939	/nfs/dbraw/zinc/40/79/39/613407939.db2.gz	ATMPOKUJQAJRNI-LLVKDONJSA-N	-1	0	298.339	0.019	20	30		CCEDRM
C=CC[C@@H]1CCN1C(=O)Cn1[n-]cc2c(=O)ncnc1-2	ZINC000890558185	613409005	/nfs/dbraw/zinc/40/90/05/613409005.db2.gz	OKZFOTIZTPQHNV-SECBINFHSA-N	-1	0	273.296	0.248	20	30		CCEDRM
C=CC[C@H](CO)CNS(=O)(=O)c1ccc(C(=O)[O-])cc1	ZINC000833371526	613416367	/nfs/dbraw/zinc/41/63/67/613416367.db2.gz	UGKNQEOHQVJPTC-JTQLQIEISA-N	-1	0	299.348	0.848	20	30		CCEDRM
C=CC[C@H](CO)NC(=O)Cc1cc(=O)n(CC(C)C)[n-]1	ZINC000935374534	613417165	/nfs/dbraw/zinc/41/71/65/613417165.db2.gz	BWVIZTCYCRDTFL-LLVKDONJSA-N	-1	0	281.356	0.428	20	30		CCEDRM
C=C[C@@H](C)O[N-]C(=O)C(=O)Nc1cnn2c1CCCC2	ZINC000873934264	613443260	/nfs/dbraw/zinc/44/32/60/613443260.db2.gz	JJJPMQHXGUFQLR-SECBINFHSA-N	-1	0	278.312	0.780	20	30		CCEDRM
C=C[C@@H](C)O[N-]C(=O)CN(C)S(=O)(=O)c1cccnc1	ZINC000846550386	613443633	/nfs/dbraw/zinc/44/36/33/613443633.db2.gz	ORWGGLXZVGQVLS-SNVBAGLBSA-N	-1	0	299.352	0.324	20	30		CCEDRM
C=CC(C)(C)CC(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)[O-]	ZINC000910284408	613446077	/nfs/dbraw/zinc/44/60/77/613446077.db2.gz	QWTLPHHLKRMILD-IUCAKERBSA-N	-1	0	270.329	0.683	20	30		CCEDRM
C=CC1(S(=O)(=O)[N-]C(=O)COCCOCC)CC1	ZINC000870832804	613450334	/nfs/dbraw/zinc/45/03/34/613450334.db2.gz	QYFJWZRFSYDHJW-UHFFFAOYSA-N	-1	0	277.342	0.204	20	30		CCEDRM
C=C[C@@H](O)C(=O)NC[C@@H](Cc1cccc(C)c1)C(=O)[O-]	ZINC000909237664	613451632	/nfs/dbraw/zinc/45/16/32/613451632.db2.gz	IRQHGHZRCWBRHK-CHWSQXEVSA-N	-1	0	277.320	0.901	20	30		CCEDRM
C=CC1(S(=O)(=O)[N-]C(=O)[C@H]2CCOC[C@H]2C)CC1	ZINC000870836624	613451703	/nfs/dbraw/zinc/45/17/03/613451703.db2.gz	IJYBISPVWIBFRO-ZJUUUORDSA-N	-1	0	273.354	0.824	20	30		CCEDRM
C=CC1(S(=O)(=O)[N-]C(=O)[C@]2(C)CCOC2)CC1	ZINC000870835720	613451991	/nfs/dbraw/zinc/45/19/91/613451991.db2.gz	JUMCOHBJUBEPND-SNVBAGLBSA-N	-1	0	259.327	0.578	20	30		CCEDRM
C=CC1(S(=O)(=O)[N-]C(=O)c2cnn(C)c2)CC1	ZINC000870831240	613452331	/nfs/dbraw/zinc/45/23/31/613452331.db2.gz	SETKWNHHFQNTLR-UHFFFAOYSA-N	-1	0	255.299	0.198	20	30		CCEDRM
C=CCC(F)(F)C(=O)[N-]S(=O)(=O)c1cn(C)nc1C	ZINC000816086044	613455041	/nfs/dbraw/zinc/45/50/41/613455041.db2.gz	YHXNLECSUFZLFD-UHFFFAOYSA-N	-1	0	293.295	0.745	20	30		CCEDRM
C=CCC(F)(F)C(=O)[N-]S(=O)(=O)N1CCCC1	ZINC000815920042	613455131	/nfs/dbraw/zinc/45/51/31/613455131.db2.gz	XGRLIMNJYSLBMW-UHFFFAOYSA-N	-1	0	268.285	0.655	20	30		CCEDRM
C=CCC1(C(=O)[O-])CN(S(=O)(=O)CC2(F)CC2)C1	ZINC000906007273	613457017	/nfs/dbraw/zinc/45/70/17/613457017.db2.gz	ZKVYDOJRZTWPIB-UHFFFAOYSA-N	-1	0	277.317	0.781	20	30		CCEDRM
C=CCC1(C(=O)[O-])CN(S(=O)(=O)CC(C)(C)C#N)C1	ZINC000906006968	613457054	/nfs/dbraw/zinc/45/70/54/613457054.db2.gz	NLKNFHXTBPTXNL-UHFFFAOYSA-N	-1	0	286.353	0.829	20	30		CCEDRM
C=CCC1(S(=O)(=O)[N-]C(=O)C[C@@H](C)OC)CC1	ZINC000810988927	613460764	/nfs/dbraw/zinc/46/07/64/613460764.db2.gz	SUVDNSSMMGZAIC-SECBINFHSA-N	-1	0	261.343	0.966	20	30		CCEDRM
C=CCC1(S(=O)(=O)[N-]C(=O)[C@H]2CCN(C)C2=O)CC1	ZINC000810989086	613461443	/nfs/dbraw/zinc/46/14/43/613461443.db2.gz	ZSPDPDPVADCGJE-SECBINFHSA-N	-1	0	286.353	0.019	20	30		CCEDRM
C=CCCC(=O)[N-]S(=O)(=O)C(COC)COC	ZINC000851500467	613462303	/nfs/dbraw/zinc/46/23/03/613462303.db2.gz	SHMOVTDGTMKCGZ-UHFFFAOYSA-N	-1	0	265.331	0.060	20	30		CCEDRM
C=CCCCC(=O)[N-]S(=O)(=O)CC(=O)OCC	ZINC000838848278	613464796	/nfs/dbraw/zinc/46/47/96/613464796.db2.gz	SFUDKDAPJZGDIR-UHFFFAOYSA-N	-1	0	263.315	0.352	20	30		CCEDRM
C=CCCC[C@@H](NC(=O)c1cnnn1CC)C(=O)[O-]	ZINC000910917641	613471478	/nfs/dbraw/zinc/47/14/78/613471478.db2.gz	SSYVTXZCNPBFKA-SECBINFHSA-N	-1	0	266.301	0.837	20	30		CCEDRM
C=CCCC[C@@H](NS(=O)(=O)C[C@H](C)OC)C(=O)[O-]	ZINC000903059044	613471526	/nfs/dbraw/zinc/47/15/26/613471526.db2.gz	LEXCYHWEPWDHMX-VHSXEESVSA-N	-1	0	279.358	0.750	20	30		CCEDRM
C=CCCC[C@H](NC(=O)c1cn2c(n1)COCC2)C(=O)[O-]	ZINC000910924405	613474315	/nfs/dbraw/zinc/47/43/15/613474315.db2.gz	BINTYRYBWAKLTF-JTQLQIEISA-N	-1	0	293.323	0.953	20	30		CCEDRM
C=C[C@@](C)(O)C(=O)NCCc1ccc(C(=O)[O-])cc1OC	ZINC000909628418	613478605	/nfs/dbraw/zinc/47/86/05/613478605.db2.gz	BGXNOEDKQZYAQX-OAHLLOKOSA-N	-1	0	293.319	0.989	20	30		CCEDRM
C=C[C@H](C)NC(=O)NCCCN1CCN(C(=O)[O-])CC1	ZINC000823491324	613483002	/nfs/dbraw/zinc/48/30/02/613483002.db2.gz	UXMMUCOTHILYET-NSHDSACASA-N	-1	0	284.360	0.546	20	30		CCEDRM
C=C[C@H](C)O[N-]C(=O)C1(n2cnnn2)CCCCC1	ZINC000846555196	613483685	/nfs/dbraw/zinc/48/36/85/613483685.db2.gz	RJAMZENWUICQIL-JTQLQIEISA-N	-1	0	265.317	0.955	20	30		CCEDRM
C=C[C@H](C)O[N-]C(=O)C(=NOC)c1csc(N)n1	ZINC000824233843	613483737	/nfs/dbraw/zinc/48/37/37/613483737.db2.gz	ZLUKDMZGAQHEGP-LURJTMIESA-N	-1	0	270.314	0.698	20	30		CCEDRM
C=C[C@H](C)O[N-]C(=O)Cn1cc([N+](=O)[O-])ccc1=O	ZINC000846551500	613484573	/nfs/dbraw/zinc/48/45/73/613484573.db2.gz	SXRVNPYVPVZXMB-QMMMGPOBSA-N	-1	0	267.241	0.379	20	30		CCEDRM
C=C[C@H](CC)CC(=O)N[C@H](C)C(=O)N[C@@H](C)C(=O)[O-]	ZINC000907771931	613489929	/nfs/dbraw/zinc/48/99/29/613489929.db2.gz	NDOKSJPTQWSKTE-KXUCPTDWSA-N	-1	0	270.329	0.683	20	30		CCEDRM
C=C[C@H](O)C(=O)NC[C@@H](Cc1ccccc1)C(=O)[O-]	ZINC000909179691	613495876	/nfs/dbraw/zinc/49/58/76/613495876.db2.gz	IRXNQWRYMONQGB-NEPJUHHUSA-N	-1	0	263.293	0.593	20	30		CCEDRM
C=C[C@H](O)C(=O)N[C@@H]1CCSC2(CC(C(=O)[O-])C2)C1	ZINC000908175092	613496957	/nfs/dbraw/zinc/49/69/57/613496957.db2.gz	YBPBQSGSDGOIHR-YZOMMJAFSA-N	-1	0	285.365	0.779	20	30		CCEDRM
C=C[C@](C)(CC)C(=O)N[C@@H](C)C(=O)N[C@H](C)C(=O)[O-]	ZINC000910747734	613505393	/nfs/dbraw/zinc/50/53/93/613505393.db2.gz	RCYZRFPXVBUXNV-IGJMFERPSA-N	-1	0	270.329	0.683	20	30		CCEDRM
C=C[C@](C)(CCOC)C(=O)N[C@@H](CCOC)C(=O)[O-]	ZINC000909625151	613506237	/nfs/dbraw/zinc/50/62/37/613506237.db2.gz	LREUNTMXWKKORP-GXFFZTMASA-N	-1	0	273.329	0.821	20	30		CCEDRM
C=C[C@](C)(O)C(=O)NCc1ccc(CC(=O)[O-])cc1	ZINC000910194317	613507611	/nfs/dbraw/zinc/50/76/11/613507611.db2.gz	FNECVVXYPREYDQ-AWEZNQCLSA-N	-1	0	263.293	0.867	20	30		CCEDRM
C=C[C@](C)(O)C(=O)NC[C@H](Oc1ccc(F)cc1)C(=O)[O-]	ZINC000909388136	613507670	/nfs/dbraw/zinc/50/76/70/613507670.db2.gz	LWXGLTVOFOEAEJ-FZMZJTMJSA-N	-1	0	297.282	0.711	20	30		CCEDRM
C=C[C@](C)(O)c1cn(CC[N-]C(=O)C(F)(F)F)nn1	ZINC000849141457	613510605	/nfs/dbraw/zinc/51/06/05/613510605.db2.gz	XEUQPXBUYLBABG-VIFPVBQESA-N	-1	0	278.234	0.350	20	30		CCEDRM
CC#CCCCC(=O)[N-]S(=O)(=O)CC(F)F	ZINC000851361487	613520401	/nfs/dbraw/zinc/52/04/01/613520401.db2.gz	PTYOSDKVPQFPNN-UHFFFAOYSA-N	-1	0	253.270	0.891	20	30		CCEDRM
C=CCCOCC(=O)N[C@@H](C(=O)[O-])c1ccccn1	ZINC000825675774	613572836	/nfs/dbraw/zinc/57/28/36/613572836.db2.gz	FQPVUBADLVRENL-GFCCVEGCSA-N	-1	0	264.281	0.916	20	30		CCEDRM
C=CCCO[N-]C(=O)Cn1cccc(C(=O)OC)c1=O	ZINC000825556493	613576816	/nfs/dbraw/zinc/57/68/16/613576816.db2.gz	OQPZWLQBQAVFEN-UHFFFAOYSA-N	-1	0	280.280	0.259	20	30		CCEDRM
C=CCCO[N-]C(=O)[C@H](CCC)S(N)(=O)=O	ZINC000856035587	613577107	/nfs/dbraw/zinc/57/71/07/613577107.db2.gz	DXGVNZPCOGPCOQ-QMMMGPOBSA-N	-1	0	250.320	0.068	20	30		CCEDRM
C=CCCS(=O)(=O)N1CC[C@@H](CNC(=O)[O-])C1	ZINC000823500620	613580685	/nfs/dbraw/zinc/58/06/85/613580685.db2.gz	ILSDOXORXATKOG-VIFPVBQESA-N	-1	0	262.331	0.482	20	30		CCEDRM
C=CCCS(=O)(=O)N1CC[C@H](N(C)C(=O)[O-])C1	ZINC000823501471	613581045	/nfs/dbraw/zinc/58/10/45/613581045.db2.gz	XIJXBSJAMFPUAU-VIFPVBQESA-N	-1	0	262.331	0.576	20	30		CCEDRM
C=CCC[C@@H](CO)NS(=O)(=O)N=[S@@](C)(=O)CC	ZINC000867368364	613584447	/nfs/dbraw/zinc/58/44/47/613584447.db2.gz	QRSQXMCZFXPXAT-FVMDXXJSSA-N	-1	0	284.403	0.266	20	30		CCEDRM
C=CCC[C@@H](NC(=O)CCc1ncc[nH]1)C(=O)[O-]	ZINC000909711734	613584502	/nfs/dbraw/zinc/58/45/02/613584502.db2.gz	FKBDMMVHPGVGQN-SECBINFHSA-N	-1	0	251.286	0.878	20	30		CCEDRM
C=CCCn1cc(C(=O)NC2CC(C(=O)[O-])C2)nn1	ZINC000864207359	613594316	/nfs/dbraw/zinc/59/43/16/613594316.db2.gz	QSOYGQIWYRTDAK-UHFFFAOYSA-N	-1	0	264.285	0.447	20	30		CCEDRM
C=CCN(C(=O)[C@H](C)CC(=O)[O-])[C@H]1CCS(=O)(=O)C1	ZINC000825676057	613607004	/nfs/dbraw/zinc/60/70/04/613607004.db2.gz	QHTXNTQMTDXLME-ZJUUUORDSA-N	-1	0	289.353	0.299	20	30		CCEDRM
C=CCN(C)C(=O)c1cccn(CC(=O)[O-])c1=O	ZINC000901982996	613609733	/nfs/dbraw/zinc/60/97/33/613609733.db2.gz	AAJLFIUEFRJTGJ-UHFFFAOYSA-N	-1	0	250.254	0.191	20	30		CCEDRM
C=CCN(CC(=O)[O-])C(=O)N[C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@H]12	ZINC000900298091	613643004	/nfs/dbraw/zinc/64/30/04/613643004.db2.gz	PTFSKNWHXCOEDR-ULHKAFAUSA-N	-1	0	266.297	0.444	20	30		CCEDRM
C=CCN(CC(=O)[O-])C(=O)c1cc(OC)ncn1	ZINC000909516928	613643626	/nfs/dbraw/zinc/64/36/26/613643626.db2.gz	UETPJAVYPCGYPE-UHFFFAOYSA-N	-1	0	251.242	0.198	20	30		CCEDRM
C=CCN(CC(=O)[O-])C(=O)c1cc(N(C)C)ccn1	ZINC000909513994	613643847	/nfs/dbraw/zinc/64/38/47/613643847.db2.gz	AHCVURTWLKZQQW-UHFFFAOYSA-N	-1	0	263.297	0.860	20	30		CCEDRM
C=CCN(CC(=O)[O-])c1cc(OC)nc(COC)n1	ZINC000910396252	613644086	/nfs/dbraw/zinc/64/40/86/613644086.db2.gz	WYFIGVOFDSXMIV-UHFFFAOYSA-N	-1	0	267.285	0.709	20	30		CCEDRM
CC#CCS(=O)(=O)[N-]C(=O)[C@@H](NC(C)=O)[C@@H](C)CC	ZINC000810774261	613646566	/nfs/dbraw/zinc/64/65/66/613646566.db2.gz	VVHMUVBSJCWVST-ONGXEEELSA-N	-1	0	288.369	0.007	20	30		CCEDRM
CC#CCS(=O)(=O)[N-]C(=O)[C@H]1CCCC[C@@H]1OC	ZINC000816056535	613647230	/nfs/dbraw/zinc/64/72/30/613647230.db2.gz	WOTWAYOJRIBBIU-QWRGUYRKSA-N	-1	0	273.354	0.661	20	30		CCEDRM
CC#CCS(=O)(=O)[N-]C(=O)[C@H](Cc1ccccc1)OC	ZINC000835372090	613647249	/nfs/dbraw/zinc/64/72/49/613647249.db2.gz	PWTXVGYYCAIBCW-ZDUSSCGKSA-N	-1	0	295.360	0.713	20	30		CCEDRM
CC#CCS(=O)(=O)[N-]C(=O)c1ccc(C)c(C)n1	ZINC000842347559	613647434	/nfs/dbraw/zinc/64/74/34/613647434.db2.gz	QKMIBMJDQLYCOT-UHFFFAOYSA-N	-1	0	266.322	0.781	20	30		CCEDRM
C=CCN(CCc1ccco1)C(=O)N=c1nn[n-]n1CC	ZINC000888331162	613650562	/nfs/dbraw/zinc/65/05/62/613650562.db2.gz	FOLBXARVHPYEBS-UHFFFAOYSA-N	-1	0	290.327	0.971	20	30		CCEDRM
CC(=NNCC(=O)[O-])c1ccc(N2C(=O)CCC2=O)cc1	ZINC000814956662	613654359	/nfs/dbraw/zinc/65/43/59/613654359.db2.gz	KGJGCUAPRNBBHB-UHFFFAOYSA-N	-1	0	289.291	0.738	20	30		CCEDRM
C=CCNC(=O)C(C#N)=C([O-])c1cccc(NC(N)=O)c1	ZINC000916918693	613852883	/nfs/dbraw/zinc/85/28/83/613852883.db2.gz	VUKHLCGSPPLVPV-NSHDSACASA-N	-1	0	286.291	0.802	20	30		CCEDRM
C=CCNC(=O)C(C#N)=C([O-])c1cc(C2CC2)[nH]n1	ZINC000916921648	613852904	/nfs/dbraw/zinc/85/29/04/613852904.db2.gz	WMPATUOWHQLVGJ-VIFPVBQESA-N	-1	0	258.281	0.912	20	30		CCEDRM
C=CCNC(=O)[C@@H](C)OC(=O)[C@@]1(F)CCN(C(=O)[O-])C1	ZINC000823506275	613853913	/nfs/dbraw/zinc/85/39/13/613853913.db2.gz	FNSYXCOCIIHVJO-PRHODGIISA-N	-1	0	288.275	0.312	20	30		CCEDRM
C=CCNC(=O)[C@@H](C)OC(=O)[C@H](C)CN(C)C(=O)[O-]	ZINC000823506044	613854025	/nfs/dbraw/zinc/85/40/25/613854025.db2.gz	BDLOFIMOTNLMPZ-RKDXNWHRSA-N	-1	0	272.301	0.466	20	30		CCEDRM
C=CCNC(=O)C(C#N)=C([O-])c1ncc(C#N)cc1C	ZINC000815908454	613854860	/nfs/dbraw/zinc/85/48/60/613854860.db2.gz	BTUSXHDZXCUTSP-LLVKDONJSA-N	-1	0	268.276	0.886	20	30		CCEDRM
C=CCNC(=O)C(C#N)=C([O-])c1c(Cl)cnn1C	ZINC000850761012	613854975	/nfs/dbraw/zinc/85/49/75/613854975.db2.gz	ZFQVCPAYZVTDMS-SSDOTTSWSA-N	-1	0	266.688	0.698	20	30		CCEDRM
C=CCNC(=O)[C@H](C)OC(=O)[C@H](CC(C)C)NC(=O)[O-]	ZINC000825687141	613855663	/nfs/dbraw/zinc/85/56/63/613855663.db2.gz	CKLIFRHCULCFBJ-UWVGGRQHSA-N	-1	0	286.328	0.903	20	30		CCEDRM
C=CCNC(=O)[C@H](C)OC(=O)[C@H]1CCC[C@H]1NC(=O)[O-]	ZINC000823506024	613855806	/nfs/dbraw/zinc/85/58/06/613855806.db2.gz	AYWYRMLMDBNGAO-LPEHRKFASA-N	-1	0	284.312	0.657	20	30		CCEDRM
C=CCOCC(=O)N1CC[C@](COC)(C(=O)[O-])C1	ZINC000902313652	613879135	/nfs/dbraw/zinc/87/91/35/613879135.db2.gz	URNRKJPHTOTDFW-LBPRGKRZSA-N	-1	0	257.286	0.139	20	30		CCEDRM
C=CCOCC(=O)N1C[C@@H]2CCC[C@]2(C(=O)[O-])C1	ZINC000910416542	613879292	/nfs/dbraw/zinc/87/92/92/613879292.db2.gz	PEXJOWVPRRMJEF-GWCFXTLKSA-N	-1	0	253.298	0.902	20	30		CCEDRM
C=CCOCC(=O)[N-]S(=O)(=O)CCOC(C)(C)C	ZINC000835920656	613879415	/nfs/dbraw/zinc/87/94/15/613879415.db2.gz	OESRITRBKUKBHG-UHFFFAOYSA-N	-1	0	279.358	0.450	20	30		CCEDRM
C=CCOCC(=O)N[C@@](C)(Cn1cccn1)C(=O)[O-]	ZINC000908264141	613879525	/nfs/dbraw/zinc/87/95/25/613879525.db2.gz	LLIIUNHHAYSFJQ-LBPRGKRZSA-N	-1	0	267.285	0.045	20	30		CCEDRM
C=CCOCCCC(=O)N1CC[N@@H+](CCC(=O)[O-])C[C@@H]1C	ZINC000833375552	613879681	/nfs/dbraw/zinc/87/96/81/613879681.db2.gz	DXOZMPVBPHBTFT-ZDUSSCGKSA-N	-1	0	298.383	0.977	20	30		CCEDRM
C=CCOCC[N-]S(=O)(=O)N=[S@](C)(=O)C(C)(C)C	ZINC000872470533	613881244	/nfs/dbraw/zinc/88/12/44/613881244.db2.gz	HBGOTAZIEBSFDR-QGZVFWFLSA-N	-1	0	298.430	0.920	20	30		CCEDRM
C=CCOC[C@@H](NC(=O)NCC1=CCCOC1)C(=O)[O-]	ZINC000909226383	613881666	/nfs/dbraw/zinc/88/16/66/613881666.db2.gz	VZDBEHMEZUFMPF-LLVKDONJSA-N	-1	0	284.312	0.288	20	30		CCEDRM
C=CCOC[C@@H](NC(=O)N[C@@H]1COC2(CCC2)C1)C(=O)[O-]	ZINC000905572111	613881671	/nfs/dbraw/zinc/88/16/71/613881671.db2.gz	AYIUIUVNAWEFLJ-WDEREUQCSA-N	-1	0	298.339	0.653	20	30		CCEDRM
C=CCOC[C@@H](NC(=O)[C@H]1CCCOCC1)C(=O)[O-]	ZINC000909767785	613881925	/nfs/dbraw/zinc/88/19/25/613881925.db2.gz	QKRJTSKEIHOGBX-WDEREUQCSA-N	-1	0	271.313	0.575	20	30		CCEDRM
C=CCOC[C@H](NC(=O)Cc1ccn(C(C)C)n1)C(=O)[O-]	ZINC000907670304	613882311	/nfs/dbraw/zinc/88/23/11/613882311.db2.gz	ZXLAGGXPUPLAMR-LBPRGKRZSA-N	-1	0	295.339	0.779	20	30		CCEDRM
C=CCOC[C@H](NC(=O)C[C@H]1CCCC[C@@H]1O)C(=O)[O-]	ZINC000909770267	613882335	/nfs/dbraw/zinc/88/23/35/613882335.db2.gz	DRHFTWKKIBEQNR-WOPDTQHZSA-N	-1	0	285.340	0.700	20	30		CCEDRM
C=CCOC[C@H](NC(=O)COCC1CCCC1)C(=O)[O-]	ZINC000909772606	613882338	/nfs/dbraw/zinc/88/23/38/613882338.db2.gz	SSXNUJKLVTYHRG-LBPRGKRZSA-N	-1	0	285.340	0.965	20	30		CCEDRM
C=CCOC[C@H](NC(=O)N[C@@H]1COC2(CCC2)C1)C(=O)[O-]	ZINC000905572108	613882430	/nfs/dbraw/zinc/88/24/30/613882430.db2.gz	AYIUIUVNAWEFLJ-QWRGUYRKSA-N	-1	0	298.339	0.653	20	30		CCEDRM
C=CCOC[C@H](NC(=O)N[C@@H]1C[C@H]1CC)C(=O)[O-]	ZINC000909216297	613882473	/nfs/dbraw/zinc/88/24/73/613882473.db2.gz	DWJOFBUBLRHFBJ-BBBLOLIVSA-N	-1	0	256.302	0.740	20	30		CCEDRM
C=CCOC[C@H](NC(=O)[C@@H]1CCn2ccnc2C1)C(=O)[O-]	ZINC000909771554	613882532	/nfs/dbraw/zinc/88/25/32/613882532.db2.gz	NXVGPPSUBOLJIR-MNOVXSKESA-N	-1	0	293.323	0.218	20	30		CCEDRM
C=CCOC[C@H](NCc1cccc(OC)n1)C(=O)[O-]	ZINC000901808877	613882839	/nfs/dbraw/zinc/88/28/39/613882839.db2.gz	LYZXIVXWCQRAEJ-NSHDSACASA-N	-1	0	266.297	0.836	20	30		CCEDRM
C=CCO[N-]C(=O)C(=O)Nc1cnc(OC)c(OC)c1	ZINC000861880776	613883021	/nfs/dbraw/zinc/88/30/21/613883021.db2.gz	RBONWJMTXYEJJN-UHFFFAOYSA-N	-1	0	281.268	0.271	20	30		CCEDRM
C=CCO[N-]C(=O)CN1C(=O)[C@H]2CCCC[C@@H]2C1=O	ZINC000837045196	613883162	/nfs/dbraw/zinc/88/31/62/613883162.db2.gz	ZUPDZCVYNJXLGB-UWVGGRQHSA-N	-1	0	266.297	0.395	20	30		CCEDRM
C=CCO[N-]C(=O)[C@@H](C)Sc1nnnn1C1CC1	ZINC000837044190	613884378	/nfs/dbraw/zinc/88/43/78/613884378.db2.gz	JUIFSIWIXOFMOI-SSDOTTSWSA-N	-1	0	269.330	0.722	20	30		CCEDRM
C=CCO[N-]C(=O)[C@H]1CC(C(=O)OC(C)(C)C)=NO1	ZINC000837049370	613884506	/nfs/dbraw/zinc/88/45/06/613884506.db2.gz	GJAATRKWUQFYQE-SECBINFHSA-N	-1	0	270.285	0.707	20	30		CCEDRM
C=CCO[N-]C(=O)[C@H]1CC[C@@H](C(F)(F)F)NC1=O	ZINC000837043803	613884565	/nfs/dbraw/zinc/88/45/65/613884565.db2.gz	TUIQIGVKSDIEQV-BQBZGAKWSA-N	-1	0	266.219	0.677	20	30		CCEDRM
C=CCS(=O)(=O)[N-]C(=O)COCc1cccnc1	ZINC000805901949	613886121	/nfs/dbraw/zinc/88/61/21/613886121.db2.gz	DHVIYSMNHWRPOJ-UHFFFAOYSA-N	-1	0	270.310	0.230	20	30		CCEDRM
C=CCS(=O)(=O)[N-]C(=O)Cc1cn2c(n1)CCCC2	ZINC000845499087	613886144	/nfs/dbraw/zinc/88/61/44/613886144.db2.gz	OZBKRMMMFFRRMJ-UHFFFAOYSA-N	-1	0	283.353	0.394	20	30		CCEDRM
C=CCS(=O)(=O)[N-]C(=O)CCc1cncs1	ZINC000815996947	613886158	/nfs/dbraw/zinc/88/61/58/613886158.db2.gz	UFPHSXGBWLBXCC-UHFFFAOYSA-N	-1	0	260.340	0.708	20	30		CCEDRM
C=CCS(=O)(=O)[N-]C(=O)Cc1csc(CC)n1	ZINC000132734208	613886207	/nfs/dbraw/zinc/88/62/07/613886207.db2.gz	SKXJCSIWNHLNFR-UHFFFAOYSA-N	-1	0	274.367	0.880	20	30		CCEDRM
C=CCS(=O)(=O)[N-]C(=O)Cc1cnn2c1CCCC2	ZINC000870258136	613886228	/nfs/dbraw/zinc/88/62/28/613886228.db2.gz	HPSKOVXBLNVMDK-UHFFFAOYSA-N	-1	0	283.353	0.394	20	30		CCEDRM
C=CCS(=O)(=O)[N-]C(=O)c1ccccc1[N+](=O)[O-]	ZINC000132765384	613886371	/nfs/dbraw/zinc/88/63/71/613886371.db2.gz	JZZRPJQQIJTOOO-UHFFFAOYSA-N	-1	0	270.266	0.840	20	30		CCEDRM
CC(C)NC(=O)C(C#N)=C([O-])c1cnc2n1CCC2	ZINC000850761918	613930630	/nfs/dbraw/zinc/93/06/30/613930630.db2.gz	SSHHMBHWFDDXQS-VIFPVBQESA-N	-1	0	260.297	0.676	20	30		CCEDRM
CC(C)(C)N1C[C@H](NC(=O)[C@](C)(C#N)CC(=O)[O-])CC1=O	ZINC000819821661	613946493	/nfs/dbraw/zinc/94/64/93/613946493.db2.gz	IZSSDMQJSZWBOB-OTYXRUKQSA-N	-1	0	295.339	0.507	20	30		CCEDRM
CC(C)S(=O)(=O)NN=Cc1ccc(NC(=O)[O-])nc1	ZINC000824431256	614069183	/nfs/dbraw/zinc/06/91/83/614069183.db2.gz	KQSWUCWRRKTYHK-UHFFFAOYSA-N	-1	0	286.313	0.833	20	30		CCEDRM
CC(C)(CCNC(=O)[C@@]1(C#N)CCCOC1)C(=O)[O-]	ZINC000923078043	614084854	/nfs/dbraw/zinc/08/48/54/614084854.db2.gz	CNYPXIFGZDDKDO-CYBMUJFWSA-N	-1	0	268.313	0.924	20	30		CCEDRM
CC(C)[C@@](C)(C#N)NC(=O)CN(CC(=O)[O-])C1CC1	ZINC000826676405	614180077	/nfs/dbraw/zinc/18/00/77/614180077.db2.gz	HZJLKCFBPKTLJW-CYBMUJFWSA-N	-1	0	267.329	0.590	20	30		CCEDRM
CC(C)[C@@](C)(C#N)NC(=O)COC(=O)C1(NC(=O)[O-])CC1	ZINC000824055388	614180087	/nfs/dbraw/zinc/18/00/87/614180087.db2.gz	GSDSLLKXNXADIL-GFCCVEGCSA-N	-1	0	297.311	0.384	20	30		CCEDRM
CC(C)[C@H](C#N)N1CCN(C(=O)[C@@H](C)CC(=O)[O-])CC1	ZINC000827264197	614186762	/nfs/dbraw/zinc/18/67/62/614186762.db2.gz	XJAWVEILGVXJRX-RYUDHWBXSA-N	-1	0	281.356	0.790	20	30		CCEDRM
CC(=O)Nc1cc(C(=O)N[C@H]2CCN(O)C2=O)ccc1C	ZINC000820155958	614198356	/nfs/dbraw/zinc/19/83/56/614198356.db2.gz	BUMXSBXALKNZBN-NSHDSACASA-N	-1	0	291.307	0.673	20	30		CCEDRM
CC(C)[C@](C)(C#N)NC(=O)C[N@@H+]1CC[C@@H](C(=O)[O-])C1	ZINC000817853163	614285834	/nfs/dbraw/zinc/28/58/34/614285834.db2.gz	AIOJPSKVPYESAD-MFKMUULPSA-N	-1	0	267.329	0.447	20	30		CCEDRM
CC(C)(C#N)CS(=O)(=O)N1CCC[C@@H]2C[C@@]21C(=O)[O-]	ZINC000899935550	614286138	/nfs/dbraw/zinc/28/61/38/614286138.db2.gz	SHNSOJXOFSCBSD-SKDRFNHKSA-N	-1	0	286.353	0.805	20	30		CCEDRM
CC(C)(C#N)CS(=O)(=O)[N-]C(=O)CCc1ccncn1	ZINC000755835650	614287329	/nfs/dbraw/zinc/28/73/29/614287329.db2.gz	BWUREEZNYWIGJD-UHFFFAOYSA-N	-1	0	296.352	0.405	20	30		CCEDRM
CC(C)(C#N)CS(=O)(=O)[N-]C(=O)CCc1ncccn1	ZINC000813082787	614287383	/nfs/dbraw/zinc/28/73/83/614287383.db2.gz	ZSGACSXITXPQFJ-UHFFFAOYSA-N	-1	0	296.352	0.405	20	30		CCEDRM
CCCc1[nH]ccc1C(=O)[N-]S(=O)(=O)CCC#N	ZINC000817734147	614459504	/nfs/dbraw/zinc/45/95/04/614459504.db2.gz	COAIWEQTFGMAPD-UHFFFAOYSA-N	-1	0	269.326	0.940	20	30		CCEDRM
CCC(C#N)(CC)C(=O)NC[C@@H]1CCO[C@@H]1C(=O)[O-]	ZINC000923102261	614470533	/nfs/dbraw/zinc/47/05/33/614470533.db2.gz	VVKXLQKMEFDPGC-UWVGGRQHSA-N	-1	0	268.313	0.922	20	30		CCEDRM
CCCC[C@H](ON=C(C)C)C(=O)NCC(=O)[N-]OC	ZINC000832758292	614487591	/nfs/dbraw/zinc/48/75/91/614487591.db2.gz	YAIQSUOKPLBDIP-JTQLQIEISA-N	-1	0	273.333	0.751	20	30		CCEDRM
CC1(C)C(=O)NCCN1Cc1cccc(C(=O)[O-])c1C#N	ZINC000833555631	614502060	/nfs/dbraw/zinc/50/20/60/614502060.db2.gz	PCMHXDZHLRWAML-UHFFFAOYSA-N	-1	0	287.319	0.967	20	30		CCEDRM
CCCN(C)S(=O)(=O)[N-]C(=O)c1cc(C#N)cn1C	ZINC000153733030	614524439	/nfs/dbraw/zinc/52/44/39/614524439.db2.gz	SXMVWEOYYUEXBG-UHFFFAOYSA-N	-1	0	284.341	0.213	20	30		CCEDRM
CCC(CC)S(=O)(=O)[N-]C(=O)[C@@H](C)n1cnc(C#N)n1	ZINC000798829337	614576228	/nfs/dbraw/zinc/57/62/28/614576228.db2.gz	GURZHRFYCVAZEK-MRVPVSSYSA-N	-1	0	299.356	0.345	20	30		CCEDRM
CC1(C)C[C@H](S(=O)(=O)[N-]C(=O)CC2(C#N)CC2)CO1	ZINC000861139770	614782446	/nfs/dbraw/zinc/78/24/46/614782446.db2.gz	YWBHHRNOAOMXDX-VIFPVBQESA-N	-1	0	286.353	0.694	20	30		CCEDRM
CCCCCCCS(=O)(=O)N1CC[C@@](O)(C(=O)[O-])C1	ZINC000903017702	614902550	/nfs/dbraw/zinc/90/25/50/614902550.db2.gz	XQSQBBPICGCNTA-LBPRGKRZSA-N	-1	0	293.385	0.808	20	30		CCEDRM
CCCOCC(=O)N1CCN(C(=O)[O-])C[C@H]1C#N	ZINC000826935581	614935367	/nfs/dbraw/zinc/93/53/67/614935367.db2.gz	QIDYZCBGBHYUTR-SECBINFHSA-N	-1	0	255.274	0.127	20	30		CCEDRM
CCC[C@H](C(=O)Nc1cc(C#N)ccc1[O-])S(N)(=O)=O	ZINC000831272672	615035839	/nfs/dbraw/zinc/03/58/39/615035839.db2.gz	ZMEJMKRYEXGHKJ-LLVKDONJSA-N	-1	0	297.336	0.660	20	30		CCEDRM
CCN1CCN(C(=O)[C@](C)(C#N)CC(=O)[O-])C[C@@H]1C	ZINC000820353943	615153174	/nfs/dbraw/zinc/15/31/74/615153174.db2.gz	IWRNCYBRTDUGSL-GWCFXTLKSA-N	-1	0	267.329	0.544	20	30		CCEDRM
CCOCC(=O)[N-]S(=O)(=O)Cc1ccccc1C#N	ZINC000916178328	615231656	/nfs/dbraw/zinc/23/16/56/615231656.db2.gz	SEEQIZUDRVUQGS-UHFFFAOYSA-N	-1	0	282.321	0.541	20	30		CCEDRM
CCOCCO[C@@H](C)C(=O)C(C#N)=C([O-])c1nccn1C	ZINC000122759979	615293194	/nfs/dbraw/zinc/29/31/94/615293194.db2.gz	BSJYGODIJMMVHR-QWRGUYRKSA-N	-1	0	293.323	0.753	20	30		CCEDRM
CCOC(=O)[C@H](C)CNC(=O)[C@](C)(C#N)CC(=O)[O-]	ZINC000820360661	615338535	/nfs/dbraw/zinc/33/85/35/615338535.db2.gz	AQAANEZDMQMKJK-PELKAZGASA-N	-1	0	270.285	0.306	20	30		CCEDRM
CCOC(=O)[C@H](C)OC(=O)[C@](C)(C#N)CC(=O)[O-]	ZINC000820361217	615345449	/nfs/dbraw/zinc/34/54/49/615345449.db2.gz	WEOLXABFKFSJMO-CPCISQLKSA-N	-1	0	257.242	0.486	20	30		CCEDRM
CC[C@@H](C#N)[N-]S(=O)(=O)N=S1(=O)CCCC1	ZINC000906062477	615366542	/nfs/dbraw/zinc/36/65/42/615366542.db2.gz	ZNEHFTFPGTXLMC-QMMMGPOBSA-N	-1	0	265.360	0.385	20	30		CCEDRM
CC[C@@H](C#N)OC(=O)c1ccc(-c2nn[nH]n2)cn1	ZINC000820843114	615367046	/nfs/dbraw/zinc/36/70/46/615367046.db2.gz	TVIPHVFTOGBFJZ-QMMMGPOBSA-N	-1	0	258.241	0.721	20	30		CCEDRM
CCO[N-]C(=O)CNC(=O)Nc1cc(C#N)ccc1OC	ZINC000844524534	615367219	/nfs/dbraw/zinc/36/72/19/615367219.db2.gz	UFBRKECVNLMWKZ-UHFFFAOYSA-N	-1	0	292.295	0.756	20	30		CCEDRM
CCO[N-]C(=O)CNC(=O)Nc1ccc(CC#N)cc1	ZINC000844495309	615367825	/nfs/dbraw/zinc/36/78/25/615367825.db2.gz	KNZDYXJGNCKPJV-UHFFFAOYSA-N	-1	0	276.296	0.942	20	30		CCEDRM
CCO[N-]C(=O)CNC(=O)[C@@]1(C#N)CC12CCCC2	ZINC000846490668	615369475	/nfs/dbraw/zinc/36/94/75/615369475.db2.gz	JCGAOUYFWDDNLA-ZDUSSCGKSA-N	-1	0	265.313	0.644	20	30		CCEDRM
CCO[N-]C(=O)CNc1nc2ccccn2c1C#N	ZINC000845715450	615376933	/nfs/dbraw/zinc/37/69/33/615376933.db2.gz	LMGQXTLNJSHCMK-UHFFFAOYSA-N	-1	0	259.269	0.686	20	30		CCEDRM
CC[C@@H](C)CO[N-]C(=O)C(=O)Nc1cccc(C#N)n1	ZINC000832446909	615450054	/nfs/dbraw/zinc/45/00/54/615450054.db2.gz	PZBDODXIZGLERQ-SECBINFHSA-N	-1	0	276.296	0.986	20	30		CCEDRM
CCOc1nnc(CN(CC#N)CC(=O)[O-])s1	ZINC000830125441	615526767	/nfs/dbraw/zinc/52/67/67/615526767.db2.gz	DPGQXUIIBHLSDB-UHFFFAOYSA-N	-1	0	256.287	0.347	20	30		CCEDRM
CC[C@@H](OC)C(=O)N1CCN(C(=O)[O-])C[C@H]1C#N	ZINC000826631495	615545811	/nfs/dbraw/zinc/54/58/11/615545811.db2.gz	KNEFECUWZJDWRK-RKDXNWHRSA-N	-1	0	255.274	0.126	20	30		CCEDRM
CC[C@H](C)NC(=O)[C@@H](C)OC(=O)[C@](C)(C#N)CC(=O)[O-]	ZINC000820266581	615677834	/nfs/dbraw/zinc/67/78/34/615677834.db2.gz	MIWZPGPCIBJYFH-RWEMILLDSA-N	-1	0	284.312	0.837	20	30		CCEDRM
CCc1c[nH]c(=O)c(C(=O)[N-]S(=O)(=O)CCCC#N)c1	ZINC000850926327	615710134	/nfs/dbraw/zinc/71/01/34/615710134.db2.gz	LFGZUPPGGOKTCQ-UHFFFAOYSA-N	-1	0	297.336	0.713	20	30		CCEDRM
CCn1ncn([N-]C(=O)c2cc(C#N)oc2C)c1=O	ZINC000854628949	615732817	/nfs/dbraw/zinc/73/28/17/615732817.db2.gz	WWFVNANCNSOKQA-UHFFFAOYSA-N	-1	0	261.241	0.222	20	30		CCEDRM
CC[C@H](CS(=O)(=O)[N-]c1nn(C)c(C)c1C#N)OC	ZINC000886412646	615745027	/nfs/dbraw/zinc/74/50/27/615745027.db2.gz	NMBWDTJLHMYPNJ-SECBINFHSA-N	-1	0	286.357	0.767	20	30		CCEDRM
CN(C(=O)CSCC#N)[C@H]1CCN(C(=O)[O-])C1	ZINC000827774540	615819399	/nfs/dbraw/zinc/81/93/99/615819399.db2.gz	KLVDAVRHZBIMKJ-QMMMGPOBSA-N	-1	0	257.315	0.454	20	30		CCEDRM
CC[C@H](NN=C(C)CCC(=O)N(C)OC)C(=O)[O-]	ZINC000834981644	615819684	/nfs/dbraw/zinc/81/96/84/615819684.db2.gz	VGKGPWPETKJLAA-VIFPVBQESA-N	-1	0	259.306	0.615	20	30		CCEDRM
CC[C@H](NN=Cc1cnc2c(cnn2C)c1)C(=O)[O-]	ZINC000872376148	615819772	/nfs/dbraw/zinc/81/97/72/615819772.db2.gz	FXOPWRFSKOCUII-JTQLQIEISA-N	-1	0	261.285	0.755	20	30		CCEDRM
CC[C@H](NN=C1CNC(=O)c2ccccc21)C(=O)[O-]	ZINC000817328795	615819885	/nfs/dbraw/zinc/81/98/85/615819885.db2.gz	OAXFZXTWNGZUKO-JTQLQIEISA-N	-1	0	261.281	0.587	20	30		CCEDRM
CN(C(=O)[O-])[C@H]1CCN(CC(=O)N[C@](C)(C#N)C2CC2)C1	ZINC000827881504	615845872	/nfs/dbraw/zinc/84/58/72/615845872.db2.gz	FBBUDRULTFJESY-SMDDNHRTSA-N	-1	0	294.355	0.479	20	30		CCEDRM
CCn1[n-]nnc1=NC(=O)N(C)[C@@H]1CCC[C@@H]1C#N	ZINC000888319591	615910537	/nfs/dbraw/zinc/91/05/37/615910537.db2.gz	GXVSSNBEVRCDNA-RKDXNWHRSA-N	-1	0	263.305	0.271	20	30		CCEDRM
CCn1c(C)nnc1COC(=O)[C@](C)(C#N)CC(=O)[O-]	ZINC000820506768	615922404	/nfs/dbraw/zinc/92/24/04/615922404.db2.gz	NDOCQXZIGIYRBS-LBPRGKRZSA-N	-1	0	280.284	0.654	20	30		CCEDRM
CN(CC(=O)N1CCCC1)C(=O)[C@@](C)(C#N)CC(=O)[O-]	ZINC000820554556	616043106	/nfs/dbraw/zinc/04/31/06/616043106.db2.gz	VUOPIYYPJGBRHL-CYBMUJFWSA-N	-1	0	281.312	0.072	20	30		CCEDRM
CN(CC(=O)OC(C)(C)C)C(=O)[C@](C)(C#N)CC(=O)[O-]	ZINC000820574221	616050086	/nfs/dbraw/zinc/05/00/86/616050086.db2.gz	IGABSRWHEDTCKG-ZDUSSCGKSA-N	-1	0	284.312	0.791	20	30		CCEDRM
CN(CCc1cccc(C#N)c1)C(=O)COCC(=O)[O-]	ZINC000902409617	616124457	/nfs/dbraw/zinc/12/44/57/616124457.db2.gz	HBMKPROXVSRIFE-UHFFFAOYSA-N	-1	0	276.292	0.660	20	30		CCEDRM
COC(=O)[C@@H]1CCN(CC2(C#N)CC2)[C@@H](C(=O)[O-])C1	ZINC000833706030	616305723	/nfs/dbraw/zinc/30/57/23/616305723.db2.gz	FGZSSHKXZPGWSP-NXEZZACHSA-N	-1	0	266.297	0.628	20	30		CCEDRM
COC1(C(=O)[N-]S(=O)(=O)Cc2ccc(C#N)cc2)CC1	ZINC000842675428	616424719	/nfs/dbraw/zinc/42/47/19/616424719.db2.gz	BGSLCRZVZCPEDQ-UHFFFAOYSA-N	-1	0	294.332	0.683	20	30		CCEDRM
COCCNC(=O)C(C#N)=C([O-])c1cc(C)[nH]c1C	ZINC000916890988	616491599	/nfs/dbraw/zinc/49/15/99/616491599.db2.gz	NYCWQSLLCWSSNY-NSHDSACASA-N	-1	0	263.297	0.717	20	30		CCEDRM
COCCNC(=O)C(C#N)=C([O-])c1ncoc1C1CC1	ZINC000815906896	616492417	/nfs/dbraw/zinc/49/24/17/616492417.db2.gz	LZCZVJJNNVISKZ-VIFPVBQESA-N	-1	0	277.280	0.637	20	30		CCEDRM
COCCOC[C@@H]1CCN(C(=O)[C@](C)(C#N)CC(=O)[O-])C1	ZINC000820733087	616561870	/nfs/dbraw/zinc/56/18/70/616561870.db2.gz	LUDKOHACWVMJMF-RISCZKNCSA-N	-1	0	298.339	0.502	20	30		CCEDRM
COC(=O)CCS(=O)(=O)[N-]C(=O)c1ccc(C#N)cc1	ZINC000842359149	616566709	/nfs/dbraw/zinc/56/67/09/616566709.db2.gz	QHGGPPPTORRIAJ-UHFFFAOYSA-N	-1	0	296.304	0.181	20	30		CCEDRM
COC(=O)CN(CC(=O)[O-])C(=O)C#Cc1ccccc1	ZINC000831164894	616588324	/nfs/dbraw/zinc/58/83/24/616588324.db2.gz	UQUNFPGJWJORPC-UHFFFAOYSA-N	-1	0	275.260	0.124	20	30		CCEDRM
COC[C@H](C)[C@@H](C)C(=O)[N-]S(=O)(=O)CC(C)(C)C#N	ZINC000813081542	616634042	/nfs/dbraw/zinc/63/40/42/616634042.db2.gz	ORPKELANTRQBLC-VHSXEESVSA-N	-1	0	290.385	0.901	20	30		CCEDRM
COCC1(CC(=O)[N-]S(=O)(=O)CC(C)(C)C#N)CC1	ZINC000842752087	616760984	/nfs/dbraw/zinc/76/09/84/616760984.db2.gz	GREKKDSSXTYHRH-UHFFFAOYSA-N	-1	0	288.369	0.799	20	30		CCEDRM
CNC(=O)C(C#N)=C([O-])c1c2c(nn1C)CCCC2	ZINC000892518332	616776790	/nfs/dbraw/zinc/77/67/90/616776790.db2.gz	PVTOIZDEBABWGD-VIFPVBQESA-N	-1	0	260.297	0.367	20	30		CCEDRM
CNC(=O)C(C#N)=C([O-])c1cccc(NC(C)=O)c1	ZINC000917002399	616777673	/nfs/dbraw/zinc/77/76/73/616777673.db2.gz	JPLMJVWIXHOZMH-NSHDSACASA-N	-1	0	259.265	0.713	20	30		CCEDRM
CNC(=O)C(C#N)=C([O-])c1ccc2c(c1)NC(=O)C2(C)C	ZINC000815911681	616778126	/nfs/dbraw/zinc/77/81/26/616778126.db2.gz	KDFSYJBDJKLBQT-VIFPVBQESA-N	-1	0	285.303	0.985	20	30		CCEDRM
COC[C@](C)(C#N)NC(=O)C[C@@H]1CCCN1C(=O)[O-]	ZINC000828885473	616816648	/nfs/dbraw/zinc/81/66/48/616816648.db2.gz	FYUNELFMHYVIRW-CABZTGNLSA-N	-1	0	269.301	0.564	20	30		CCEDRM
COC[C@](C)(NS(=O)(=O)CCCCC#N)C(=O)[O-]	ZINC000831627559	616832999	/nfs/dbraw/zinc/83/29/99/616832999.db2.gz	AEWFQQLODGCXQV-JTQLQIEISA-N	-1	0	278.330	0.089	20	30		CCEDRM
COC[C@](C)(O)C(=O)O[C@H](C(=O)[O-])c1cccc(C#N)c1	ZINC000831638535	616839085	/nfs/dbraw/zinc/83/90/85/616839085.db2.gz	YYUCJOQWMFBMKR-FZMZJTMJSA-N	-1	0	293.275	0.625	20	30		CCEDRM
CNC(=O)C(C#N)=C([O-])c1ncc(OC)cc1F	ZINC000870152976	616839377	/nfs/dbraw/zinc/83/93/77/616839377.db2.gz	FGYOMVBLJSMBKZ-SSDOTTSWSA-N	-1	0	251.217	0.298	20	30		CCEDRM
CNC(=O)C(C#N)=C([O-])c1ccc2c(c1)NC(=O)C2(C)C	ZINC000815911680	616839538	/nfs/dbraw/zinc/83/95/38/616839538.db2.gz	KDFSYJBDJKLBQT-SECBINFHSA-N	-1	0	285.303	0.985	20	30		CCEDRM
COCCCCS(=O)(=O)[N-]C(=O)c1cccc(C#N)n1	ZINC000810679748	616869529	/nfs/dbraw/zinc/86/95/29/616869529.db2.gz	SUUDYHMLVHRQTQ-UHFFFAOYSA-N	-1	0	297.336	0.439	20	30		CCEDRM
COC(=O)[C@@H](CC(=O)[O-])NC(=O)Cc1cccc(C#N)c1	ZINC000831067308	616953306	/nfs/dbraw/zinc/95/33/06/616953306.db2.gz	OOPOHMFUFMCGCE-LLVKDONJSA-N	-1	0	290.275	0.233	20	30		CCEDRM
COCCN(CC(=O)N[C@@H]1CCC[C@@H]1C#N)C(=O)[O-]	ZINC000828976084	616979093	/nfs/dbraw/zinc/97/90/93/616979093.db2.gz	IBCHIBMUBSWRNA-NXEZZACHSA-N	-1	0	269.301	0.421	20	30		CCEDRM
CO[C@H](C(=O)[O-])C(=O)N1CCc2c(CC#N)cccc2C1	ZINC000902245479	616990850	/nfs/dbraw/zinc/99/08/50/616990850.db2.gz	DXDPYOZSZZXWHK-ZDUSSCGKSA-N	-1	0	288.303	0.737	20	30		CCEDRM
CO[C@H]1CC[C@@H](C(=O)[N-]S(=O)(=O)CC(C)(C)C#N)C1	ZINC000850930147	617102093	/nfs/dbraw/zinc/10/20/93/617102093.db2.gz	QMBSCHDZPLQTBT-ZJUUUORDSA-N	-1	0	288.369	0.797	20	30		CCEDRM
CO[N-]C(=O)CNC(=O)[C@@H](C#N)CCc1ccccc1	ZINC000832753280	617115217	/nfs/dbraw/zinc/11/52/17/617115217.db2.gz	LHLKEOVQAYSFIB-GFCCVEGCSA-N	-1	0	275.308	0.553	20	30		CCEDRM
CO[N-]C(=O)CNC(=O)[C@@]1(C#N)CC12CCCC2	ZINC000832749499	617115534	/nfs/dbraw/zinc/11/55/34/617115534.db2.gz	VUFNQUZMBYAASI-LBPRGKRZSA-N	-1	0	251.286	0.254	20	30		CCEDRM
CO[C@](C)(C(=O)[O-])C(=O)NCc1cc(C#N)ccc1F	ZINC000902812344	617125172	/nfs/dbraw/zinc/12/51/72/617125172.db2.gz	RXGXLQSQWAAYEK-ZDUSSCGKSA-N	-1	0	280.255	0.803	20	30		CCEDRM
CO[C@@H](CNC(=O)[C@](C)(C#N)CC(=O)[O-])C(C)C	ZINC000820697101	617168866	/nfs/dbraw/zinc/16/88/66/617168866.db2.gz	RNAXUSHTUCPRSN-CABZTGNLSA-N	-1	0	256.302	0.778	20	30		CCEDRM
CSCCC(=O)[N-]S(=O)(=O)CCCC#N	ZINC000181292788	625370296	/nfs/dbraw/zinc/37/02/96/625370296.db2.gz	YFUOSQGEDVNVIV-UHFFFAOYSA-N	-1	0	250.345	0.489	20	30		CCEDRM
N#CCSCC(=O)[N-]S(=O)(=O)C1(Cl)CC1	ZINC000893243112	625394704	/nfs/dbraw/zinc/39/47/04/625394704.db2.gz	ATVMUDDFGQKVKA-UHFFFAOYSA-N	-1	0	268.747	0.418	20	30		CCEDRM
C=CCN(CC(=O)[O-])C(=O)N[C@H]1CCO[C@H](C)C1	ZINC000235279161	623146290	/nfs/dbraw/zinc/14/62/90/623146290.db2.gz	UDNAZQICZSTTNQ-ZJUUUORDSA-N	-1	0	256.302	0.836	20	30		CCEDRM
C[C@@H]1CO[C@@H](C(=O)[N-]S(=O)(=O)c2ccc(C#N)cc2)C1	ZINC000892413818	623185990	/nfs/dbraw/zinc/18/59/90/623185990.db2.gz	ITLKPSVAJPKBJK-JOYOIKCWSA-N	-1	0	294.332	0.788	20	30		CCEDRM
Cc1noc(C)c1/C=C\C(=O)c1cnc([O-])n(C)c1=O	ZINC000255829583	623330711	/nfs/dbraw/zinc/33/07/11/623330711.db2.gz	GDLNHPPBBMPROO-PLNGDYQASA-N	-1	0	275.264	0.987	20	30		CCEDRM
Cc1n[nH]c(C(=O)N[C@@H]2CN(CC#N)CC2(C)C)c1[O-]	ZINC000973048816	623580672	/nfs/dbraw/zinc/58/06/72/623580672.db2.gz	UWKHEUAWEPIJFV-SECBINFHSA-N	-1	0	277.328	0.388	20	30		CCEDRM
N#Cc1ccccc1CS(=O)(=O)NC/C=C\C(=O)[O-]	ZINC000311780823	623799480	/nfs/dbraw/zinc/79/94/80/623799480.db2.gz	DGGDTSCLUCFEQE-UTCJRWHESA-N	-1	0	280.305	0.618	20	30		CCEDRM
CCC[C@H](C#N)[N-]S(=O)(=O)N=[S@@](C)(=O)CC	ZINC000906061405	634955249	/nfs/dbraw/zinc/95/52/49/634955249.db2.gz	RGHXZRMXPVNDBS-GLEZIHRCSA-N	-1	0	267.376	0.631	20	30		CCEDRM
C=CCN(CC(=O)[O-])C(=O)[C@@H]1CC(=O)N(CC(C)C)C1	ZINC000092462612	624851563	/nfs/dbraw/zinc/85/15/63/624851563.db2.gz	SUUDUNNZANSQID-LLVKDONJSA-N	-1	0	282.340	0.590	20	30		CCEDRM
CC(C)NC(=O)C(C#N)=C([O-])c1cc(C#N)cn1C	ZINC000176096288	624940571	/nfs/dbraw/zinc/94/05/71/624940571.db2.gz	IGRMJAYVARHQAK-JTQLQIEISA-N	-1	0	258.281	0.744	20	30		CCEDRM
Cn1ncc2c1N(CC1(CC#N)CC1)S(=O)(=O)C=C2[O-]	ZINC000902833461	634471703	/nfs/dbraw/zinc/47/17/03/634471703.db2.gz	CEJYTTOURMZQQL-UHFFFAOYSA-N	-1	0	294.336	0.446	20	30		CCEDRM
N#Cc1ccc(S(=O)(=O)NCCCC(=O)[O-])s1	ZINC000230322561	631524585	/nfs/dbraw/zinc/52/45/85/631524585.db2.gz	FJOUFYWIAKMSFH-UHFFFAOYSA-N	-1	0	274.323	0.763	20	30		CCEDRM
N#Cc1ccc(S(=O)(=O)NCCC(=O)[O-])s1	ZINC000230322522	631525181	/nfs/dbraw/zinc/52/51/81/631525181.db2.gz	NLXGGNMNNHPKRS-UHFFFAOYSA-N	-1	0	260.296	0.373	20	30		CCEDRM
Cc1n[nH]c(C(=O)N[C@@]23CCC[C@H]2N(CC#N)CC3)c1[O-]	ZINC000990264355	633499364	/nfs/dbraw/zinc/49/93/64/633499364.db2.gz	GIHUPBWUYHFQMI-QMTHXVAHSA-N	-1	0	289.339	0.674	20	30		CCEDRM
N#Cc1cnnc(N2C[C@@H](C(=O)[O-])[C@H](C3CC3)C2)c1	ZINC000900986264	634136427	/nfs/dbraw/zinc/13/64/27/634136427.db2.gz	XMCWWBQDILDJOQ-WDEREUQCSA-N	-1	0	258.281	0.895	20	30		CCEDRM
Cn1nc(C(=O)[O-])cc1C=NOC[C@@H]1CCOC1	ZINC000901228274	634217689	/nfs/dbraw/zinc/21/76/89/634217689.db2.gz	VBDOYJHGHNZCBP-MRVPVSSYSA-N	-1	0	253.258	0.505	20	30		CCEDRM
C[S@@](=O)(=NS(=O)(=O)[N-]CC#N)C1CCCCC1	ZINC000906060728	634955049	/nfs/dbraw/zinc/95/50/49/634955049.db2.gz	LWLMQKAQBDJKFZ-INIZCTEOSA-N	-1	0	279.387	0.775	20	30		CCEDRM
N#CC1(C(=O)N2CC[C@H](C(=O)[O-])C2)CCSCC1	ZINC000907618683	635173634	/nfs/dbraw/zinc/17/36/34/635173634.db2.gz	VIMCQMAAOOHMEL-VIFPVBQESA-N	-1	0	268.338	0.956	20	30		CCEDRM
C=CCC(C)(C)C(=O)NCCn1cc(C(=O)[O-])nn1	ZINC000909817700	635622367	/nfs/dbraw/zinc/62/23/67/635622367.db2.gz	JRRJXCHNWFEBSG-UHFFFAOYSA-N	-1	0	266.301	0.695	20	30		CCEDRM
C=CCN(CC(=O)[O-])C(=O)N[C@H](C)[C@H]1CCOC1	ZINC000166614674	636934338	/nfs/dbraw/zinc/93/43/38/636934338.db2.gz	TYTSMYCHUKLWRB-ZJUUUORDSA-N	-1	0	256.302	0.694	20	30		CCEDRM
CCOCC(=O)[N-]S(=O)(=O)c1ncn(C)c1Cl	ZINC000058052665	636936393	/nfs/dbraw/zinc/93/63/93/636936393.db2.gz	SHRLDQFJMGAMHV-UHFFFAOYSA-N	-1	0	281.721	0.755	20	30		CCEDRM
C#CCSCCNC(=O)N1CCC[C@@H]1C(=O)[O-]	ZINC000227418786	637024929	/nfs/dbraw/zinc/02/49/29/637024929.db2.gz	JJAZIDJTXDXPFP-SECBINFHSA-N	-1	0	256.327	0.611	20	30		CCEDRM
Cc1ocnc1C(=O)[N-]S(=O)(=O)c1cccc(C#N)c1	ZINC000170940197	637107115	/nfs/dbraw/zinc/10/71/15/637107115.db2.gz	LJFNLRSXUORTBS-UHFFFAOYSA-N	-1	0	291.288	0.973	20	30		CCEDRM
C=CCCOCCNC(=O)N[C@@]1(C(=O)[O-])CCOC1	ZINC000231837601	637230436	/nfs/dbraw/zinc/23/04/36/637230436.db2.gz	NQNZQIDTKSKXLN-LBPRGKRZSA-N	-1	0	272.301	0.122	20	30		CCEDRM
COCCNC(=O)C(C#N)=C([O-])c1cccc([N+](=O)[O-])c1	ZINC000193420078	637735684	/nfs/dbraw/zinc/73/56/84/637735684.db2.gz	MDIMAYHVWOWMGN-NSHDSACASA-N	-1	0	291.263	0.680	20	30		CCEDRM
O=[N+]([O-])c1ccc([O-])c(C=NN[C@H]2CCS(=O)(=O)C2)c1	ZINC000916240202	637893978	/nfs/dbraw/zinc/89/39/78/637893978.db2.gz	XNFMMCHXRPSGOA-VIFPVBQESA-N	-1	0	299.308	0.411	20	30		CCEDRM
N#CC1(CC(=O)[N-]S(=O)(=O)N2CCCCC2)CC1	ZINC000815920697	638835965	/nfs/dbraw/zinc/83/59/65/638835965.db2.gz	NNSBCCNCWZSWTD-UHFFFAOYSA-N	-1	0	271.342	0.527	20	30		CCEDRM
Cc1cc(C(=O)N[C@@H]2CCN(O)C2=O)cc(Cl)n1	ZINC000820142990	638864781	/nfs/dbraw/zinc/86/47/81/638864781.db2.gz	AAFPNRYQWQUIDN-MRVPVSSYSA-N	-1	0	269.688	0.763	20	30		CCEDRM
N#CC1(C(=O)N2CCO[C@@H](CC(=O)[O-])C2)CC2(CC2)C1	ZINC000923066361	640014057	/nfs/dbraw/zinc/01/40/57/640014057.db2.gz	ZQPAZFPCVKZYBF-JTQLQIEISA-N	-1	0	278.308	0.772	20	30		CCEDRM
N#C[C@@]1(C(=O)N[C@H](CC(F)F)C(=O)[O-])CCCOC1	ZINC000923080331	640016158	/nfs/dbraw/zinc/01/61/58/640016158.db2.gz	YOKFAOPFJCNAEG-HQJQHLMTSA-N	-1	0	276.239	0.531	20	30		CCEDRM
C[C@]1(C(=O)[O-])CN(C(=O)[C@]2(C#N)CCCOC2)CCO1	ZINC000923102577	640022397	/nfs/dbraw/zinc/02/23/97/640022397.db2.gz	XPQREQOLECWTHJ-OLZOCXBDSA-N	-1	0	282.296	0.009	20	30		CCEDRM
NC(=O)c1ccc(N=NCc2cc(C(=O)[O-])cs2)nn1	ZINC000755770602	640336937	/nfs/dbraw/zinc/33/69/37/640336937.db2.gz	LSWAOBYGSBEGBM-UHFFFAOYSA-N	-1	0	291.292	0.781	20	30		CCEDRM
Cc1oc(C#N)cc1C(=O)[N-]S(=O)(=O)N1CCCCC1	ZINC000797944135	640471990	/nfs/dbraw/zinc/47/19/90/640471990.db2.gz	SAJJAHHXHKJRQN-UHFFFAOYSA-N	-1	0	297.336	0.920	20	30		CCEDRM
CC#CCS(=O)(=O)[N-]C(=O)c1cccc([N+](=O)[O-])c1	ZINC000798202468	640485987	/nfs/dbraw/zinc/48/59/87/640485987.db2.gz	GEGYGGKFVRUVTN-UHFFFAOYSA-N	-1	0	282.277	0.678	20	30		CCEDRM
O=c1nc(C=NO)ccn1CCO[C@@H]1CCCCO1	ZINC000799584591	640586311	/nfs/dbraw/zinc/58/63/11/640586311.db2.gz	HLTZPUPIZFCBSU-LLVKDONJSA-N	-1	0	267.285	0.595	20	30		CCEDRM
CSC1(C=Nn2c(=O)c(C)n[n-]c2=S)CC1	ZINC000800805763	640621578	/nfs/dbraw/zinc/62/15/78/640621578.db2.gz	BMDFLTSKWRIYEU-UHFFFAOYSA-N	-1	0	256.356	0.965	20	30		CCEDRM
C[C@@H](CCNS(=O)(=O)c1ccc(C#N)o1)C(=O)[O-]	ZINC000806634710	640793607	/nfs/dbraw/zinc/79/36/07/640793607.db2.gz	KUHOPORLNBAXCJ-ZETCQYMHSA-N	-1	0	272.282	0.540	20	30		CCEDRM
C#CCCCC(=O)[N-]S(=O)(=O)c1cn(C)nc1C	ZINC000809031719	640888811	/nfs/dbraw/zinc/88/88/11/640888811.db2.gz	JJOJJLOUWWQKGR-UHFFFAOYSA-N	-1	0	269.326	0.337	20	30		CCEDRM
N#Cc1cccc(C(=O)[N-]S(=O)(=O)c2cccnc2)n1	ZINC000810518423	640937190	/nfs/dbraw/zinc/93/71/90/640937190.db2.gz	AXZYUVYJLJMCLS-UHFFFAOYSA-N	-1	0	288.288	0.467	20	30		CCEDRM
N#Cc1cccc(C(=O)[N-]S(=O)(=O)c2ccccn2)n1	ZINC000810586242	640939640	/nfs/dbraw/zinc/93/96/40/640939640.db2.gz	BUBVLKULYFUVFT-UHFFFAOYSA-N	-1	0	288.288	0.467	20	30		CCEDRM
O=c1[n-][nH]c(=O)n1N=Cc1cnn(CC(F)F)c1	ZINC000814232407	641062400	/nfs/dbraw/zinc/06/24/00/641062400.db2.gz	VGMWSWJSGLKGEZ-UHFFFAOYSA-N	-1	0	258.188	0.033	20	30		CCEDRM
C[C@@H]1C(=NNCCS(C)(=O)=O)CC[C@@H]1CC(=O)[O-]	ZINC000814849526	641078470	/nfs/dbraw/zinc/07/84/70/641078470.db2.gz	ZDPXNNJAIYWILH-DTWKUNHWSA-N	-1	0	276.358	0.497	20	30		CCEDRM
C[C@@H]1CC(=NNCCS(C)(=O)=O)CC[C@H]1C(=O)[O-]	ZINC000814849204	641078573	/nfs/dbraw/zinc/07/85/73/641078573.db2.gz	LUNYYYQQJZZGIO-PSASIEDQSA-N	-1	0	276.358	0.497	20	30		CCEDRM
C[C@H]1C[C@@H](C(=O)[O-])CCC1N=Nc1ccc(C(N)=O)nn1	ZINC000814870128	641079298	/nfs/dbraw/zinc/07/92/98/641079298.db2.gz	NQNFVGYMUSTHAZ-YUMQZZPRSA-N	-1	0	291.311	0.864	20	30		CCEDRM
N#CCN1CC[C@H](NC(=O)c2n[n-]c3ccccc3c2=O)C1	ZINC001015783353	650629706	/nfs/dbraw/zinc/62/97/06/650629706.db2.gz	OCRULHMQTUWAPO-JTQLQIEISA-N	-1	0	297.318	0.663	20	30		CCEDRM
Cn1cc(C=NNCC(=O)[O-])c(-c2cccnc2)n1	ZINC000814958324	641085038	/nfs/dbraw/zinc/08/50/38/641085038.db2.gz	MFXLHQQAJBPNIK-UHFFFAOYSA-N	-1	0	259.269	0.490	20	30		CCEDRM
O=C([O-])CNN=Cc1cn2cc(Cl)ccc2n1	ZINC000814958340	641085069	/nfs/dbraw/zinc/08/50/69/641085069.db2.gz	NBIIMAHXFNMGTH-UHFFFAOYSA-N	-1	0	252.661	0.996	20	30		CCEDRM
N#C[C@H]1CC[C@@H](NS(=O)(=O)c2c[nH]c(C(=O)[O-])c2)C1	ZINC000819158884	641386183	/nfs/dbraw/zinc/38/61/83/641386183.db2.gz	CFROLNBOJUESDE-JGVFFNPUSA-N	-1	0	283.309	0.683	20	30		CCEDRM
O=C(N[C@@H]1CCN(O)C1=O)c1cc(F)c([O-])c(F)c1	ZINC000820175227	641478594	/nfs/dbraw/zinc/47/85/94/641478594.db2.gz	VLSXAPHPVYAPNJ-MRVPVSSYSA-N	-1	0	272.207	0.390	20	30		CCEDRM
O=C(N[C@@H]1CCN(O)C1=O)c1ccc([O-])c([N+](=O)[O-])c1	ZINC000820185869	641482505	/nfs/dbraw/zinc/48/25/05/641482505.db2.gz	RFQJSBDRKPAVPD-SSDOTTSWSA-N	-1	0	281.224	0.020	20	30		CCEDRM
N#CCCS(=O)(=O)[N-]C(=O)c1ccc(F)c(F)c1	ZINC000821583964	641611751	/nfs/dbraw/zinc/61/17/51/641611751.db2.gz	NAZSYAXVRKUMGX-UHFFFAOYSA-N	-1	0	274.248	0.938	20	30		CCEDRM
N#Cc1cccc(O[N-]C(=O)CN2CCOC2=O)c1	ZINC000825266953	641877895	/nfs/dbraw/zinc/87/78/95/641877895.db2.gz	FXLKXMRJGHGDLU-UHFFFAOYSA-N	-1	0	261.237	0.420	20	30		CCEDRM
N#C[C@@H](NC(=O)c1ccc2oc(=O)nc-2[n-]1)C1CC1	ZINC000826937440	641969157	/nfs/dbraw/zinc/96/91/57/641969157.db2.gz	NJSNVNYHDCMVKG-MRVPVSSYSA-N	-1	0	258.237	0.960	20	30		CCEDRM
C[C@H](C1CC1)N(C(=O)CN(CC#N)CC(=O)[O-])C1CC1	ZINC000827213980	641990236	/nfs/dbraw/zinc/99/02/36/641990236.db2.gz	VPVPPOUWOXVNFF-SNVBAGLBSA-N	-1	0	279.340	0.686	20	30		CCEDRM
Cn1c(C#N)ccc1C(=O)[N-]S(=O)(=O)N1CCCCC1	ZINC000835096483	642646985	/nfs/dbraw/zinc/64/69/85/642646985.db2.gz	CIONRLBMRMTHIL-UHFFFAOYSA-N	-1	0	296.352	0.357	20	30		CCEDRM
N#CCCS(=O)(=O)[N-]C(=O)[C@@H](F)Cc1ccccc1	ZINC000835408768	642660468	/nfs/dbraw/zinc/66/04/68/642660468.db2.gz	NIGZNPZDGNEEBW-NSHDSACASA-N	-1	0	284.312	0.927	20	30		CCEDRM
N#CCCS(=O)(=O)[N-]C(=O)[C@H](F)Cc1ccccc1	ZINC000835408766	642660757	/nfs/dbraw/zinc/66/07/57/642660757.db2.gz	NIGZNPZDGNEEBW-LLVKDONJSA-N	-1	0	284.312	0.927	20	30		CCEDRM
C[C@@H](CO)N(C)N=Cc1ccc(O)c(C(=O)[O-])c1	ZINC000842539915	642908849	/nfs/dbraw/zinc/90/88/49/642908849.db2.gz	DDNHWCQUMMLRMT-QMMMGPOBSA-N	-1	0	252.270	0.737	20	30		CCEDRM
N#CC(C(=O)NC1CC1)=C([O-])c1cn(C2CCC2)nn1	ZINC000842685172	642932813	/nfs/dbraw/zinc/93/28/13/642932813.db2.gz	RDQJLXLBHWWBGO-SNVBAGLBSA-N	-1	0	273.296	0.604	20	30		CCEDRM
C[C@@H]1CCn2ncc(C(=O)[N-]S(=O)(=O)CCC#N)c2C1	ZINC000842792994	642952445	/nfs/dbraw/zinc/95/24/45/642952445.db2.gz	JPKPODDPAOVMIH-SECBINFHSA-N	-1	0	296.352	0.439	20	30		CCEDRM
C[C@@H]1CCCc2ncc(C(=O)[N-]S(=O)(=O)CCC#N)n21	ZINC000845559488	643328888	/nfs/dbraw/zinc/32/88/88/643328888.db2.gz	DJRXBRRZDVGNAF-SECBINFHSA-N	-1	0	296.352	0.754	20	30		CCEDRM
N#Cc1ccc([O-])c(NC(=O)C2(S(N)(=O)=O)CC2)c1	ZINC000845888759	643359014	/nfs/dbraw/zinc/35/90/14/643359014.db2.gz	XPWWXGBXDVNXRQ-UHFFFAOYSA-N	-1	0	281.293	0.023	20	30		CCEDRM
C[C@@H](CC#N)C(=O)[N-]S(=O)(=O)CCOC(C)(C)C	ZINC000851072304	643830443	/nfs/dbraw/zinc/83/04/43/643830443.db2.gz	XNENQNXEYSRJCP-VIFPVBQESA-N	-1	0	276.358	0.797	20	30		CCEDRM
Cc1nnc(NN=Cc2cn(C3CCC3)nn2)[n-]c1=O	ZINC000853270081	644095774	/nfs/dbraw/zinc/09/57/74/644095774.db2.gz	IRTLWRSKOOTXPB-UHFFFAOYSA-N	-1	0	274.288	0.648	20	30		CCEDRM
N#C[C@H](CO)[N-]C(=O)C(F)(F)c1ccc(F)cc1	ZINC000854872635	644268822	/nfs/dbraw/zinc/26/88/22/644268822.db2.gz	MICALIGPOVMSDI-SECBINFHSA-N	-1	0	258.199	0.918	20	30		CCEDRM
O=C([O-])c1ccccc1C=NN[C@@H]1CCCS(=O)(=O)C1	ZINC000863127863	645061693	/nfs/dbraw/zinc/06/16/93/645061693.db2.gz	AABVMWRSRCBJRB-LLVKDONJSA-N	-1	0	296.348	0.886	20	30		CCEDRM
Cc1[nH]c(C=NN[C@@H]2CCCS(=O)(=O)C2)cc1C(=O)[O-]	ZINC000863131880	645062362	/nfs/dbraw/zinc/06/23/62/645062362.db2.gz	PCCZZLYQDYDFCJ-SECBINFHSA-N	-1	0	299.352	0.522	20	30		CCEDRM
C[C@]1([N-]C(=O)C(F)(F)F)CCN(c2ccnc(C#N)n2)C1	ZINC000866283593	645513763	/nfs/dbraw/zinc/51/37/63/645513763.db2.gz	YBWMNLBXORXRCH-NSHDSACASA-N	-1	0	299.256	0.996	20	30		CCEDRM
N#Cc1cc(N2CC(C[N-]C(=O)C(F)(F)F)C2)ncn1	ZINC000866293836	645515645	/nfs/dbraw/zinc/51/56/45/645515645.db2.gz	DNZIZMGTHCDCJJ-UHFFFAOYSA-N	-1	0	285.229	0.463	20	30		CCEDRM
N#CCc1ccccc1C(=O)N[C@@H]1CCCN(O)C1=O	ZINC000868562576	645786931	/nfs/dbraw/zinc/78/69/31/645786931.db2.gz	IIXBTCVWKYEPTO-GFCCVEGCSA-N	-1	0	273.292	0.863	20	30		CCEDRM
Cc1cnc(F)c(C(=O)[N-]S(=O)(=O)CC2(C#N)CC2)c1	ZINC000870281823	645978276	/nfs/dbraw/zinc/97/82/76/645978276.db2.gz	QMNQDMKEHXCLEK-UHFFFAOYSA-N	-1	0	297.311	0.893	20	30		CCEDRM
N#Cc1c[n-]c(=O)n(C[C@@H]2C[C@@H]3CCC[C@H]3O2)c1=O	ZINC000871674635	646168148	/nfs/dbraw/zinc/16/81/48/646168148.db2.gz	FQABKSVEKJHTMB-INTQDDNPSA-N	-1	0	261.281	0.366	20	30		CCEDRM
C#CCOCCNS(=O)(=O)c1cccc(CC(=O)[O-])c1	ZINC000871939351	646197110	/nfs/dbraw/zinc/19/71/10/646197110.db2.gz	ADKHQTAMIKPSNP-UHFFFAOYSA-N	-1	0	297.332	0.242	20	30		CCEDRM
N#CC1CN(S(=O)(=O)c2ccc(C(=O)[O-])c(F)c2)C1	ZINC000871967218	646199875	/nfs/dbraw/zinc/19/98/75/646199875.db2.gz	GUAHQQYKTNEBCL-UHFFFAOYSA-N	-1	0	284.268	0.668	20	30		CCEDRM
O=C(Nc1ccc(F)cn1)N[C@@H]1CCCN(O)C1=O	ZINC000828012274	648306768	/nfs/dbraw/zinc/30/67/68/648306768.db2.gz	IYKJMSQOZHRZHB-MRVPVSSYSA-N	-1	0	268.248	0.722	20	30		CCEDRM
C[S@@](=O)c1ccc(C(=O)[N-]S(C)(=O)=O)cc1	ZINC000042279128	649287754	/nfs/dbraw/zinc/28/77/54/649287754.db2.gz	PHXOLHTVYPRCGC-HNNXBMFYSA-N	-1	0	261.324	0.688	20	30		CCEDRM
CC(=O)[N-]S(=O)(=O)c1cccc(-c2nnnn2C)c1	ZINC000048620944	649323757	/nfs/dbraw/zinc/32/37/57/649323757.db2.gz	CWYMCFWYMUPTNC-UHFFFAOYSA-N	-1	0	281.297	0.542	20	30		CCEDRM
C[C@H](NC(=O)C(C)(C)C)C(=O)[N-]S(C)(=O)=O	ZINC000077943405	649462394	/nfs/dbraw/zinc/46/23/94/649462394.db2.gz	XGHFWLAYBJPIMM-LURJTMIESA-N	-1	0	250.320	0.453	20	30		CCEDRM
C#CCCCC(=O)[N-]S(=O)(=O)C[C@@H]1CCCO1	ZINC000191415410	649476055	/nfs/dbraw/zinc/47/60/55/649476055.db2.gz	QDTLONHMHMTIOV-JTQLQIEISA-N	-1	0	259.327	0.415	20	30		CCEDRM
COCCCNC(=O)C(C#N)=C([O-])c1cc(C2CC2)[nH]n1	ZINC000193361470	649534897	/nfs/dbraw/zinc/53/48/97/649534897.db2.gz	OAFGSPJKONMRSU-JTQLQIEISA-N	-1	0	290.323	0.762	20	30		CCEDRM
COCCNC(=O)C(C#N)=C([O-])c1cccc(C#N)c1	ZINC000193413899	649537313	/nfs/dbraw/zinc/53/73/13/649537313.db2.gz	ODGDEFUDGDACBE-GFCCVEGCSA-N	-1	0	271.276	0.643	20	30		CCEDRM
CCCCS(=O)(=O)[N-]C(=O)c1cc(C(N)=O)cn1C	ZINC000088800454	649645236	/nfs/dbraw/zinc/64/52/36/649645236.db2.gz	CIFNCMXCLYUMPR-UHFFFAOYSA-N	-1	0	287.341	0.559	20	30		CCEDRM
C#CCN(CC(=O)[O-])C(=O)N1C[C@@H](C)O[C@@H](C)C1	ZINC000092482609	649724091	/nfs/dbraw/zinc/72/40/91/649724091.db2.gz	YLIUMWDJHCMJOZ-AOOOYVTPSA-N	-1	0	254.286	0.235	20	30		CCEDRM
CC(C)(C)OC(=O)N1C[C@@H](C#N)[C@H](Oc2n[nH]c(=O)[n-]2)C1	ZINC001231300263	805771660	/nfs/dbraw/zinc/77/16/60/805771660.db2.gz	CPELRIHJPGFSDD-HTQZYQBOSA-N	-1	0	295.299	0.648	20	30		CCEDRM
CNC(=O)N1CCN(Cc2cc(C#N)ccc2[O-])CC1	ZINC001232677440	805968783	/nfs/dbraw/zinc/96/87/83/805968783.db2.gz	DCMNJZPNBSTVSK-UHFFFAOYSA-N	-1	0	274.324	0.721	20	30		CCEDRM
CS(=O)(=O)[C@@H]1CCN(Cc2cc(C#N)ccc2[O-])C1	ZINC001232679251	805970138	/nfs/dbraw/zinc/97/01/38/805970138.db2.gz	HQGNNZFNOAJHHT-GFCCVEGCSA-N	-1	0	280.349	0.883	20	30		CCEDRM
N#Cc1ccc([O-])c(CN2C[C@@H]3COC[C@H](C2)C3=O)c1	ZINC001232680752	805970472	/nfs/dbraw/zinc/97/04/72/805970472.db2.gz	HEOOISDFAOGVPE-BETUJISGSA-N	-1	0	272.304	0.911	20	30		CCEDRM
N#Cc1ccc(CN2CC(=O)N(C3CC3)C(=O)C2)c(O)c1	ZINC001233383731	806053999	/nfs/dbraw/zinc/05/39/99/806053999.db2.gz	UDXOGHIGXPBPBL-UHFFFAOYSA-N	-1	0	285.303	0.597	20	30		CCEDRM
C=CCn1ccc2c1ncnc2N[C@@H]1CO[N-]C1=O	ZINC001167511003	791497669	/nfs/dbraw/zinc/49/76/69/791497669.db2.gz	LYLNGLWDEIBBRG-SECBINFHSA-N	-1	0	259.269	0.459	20	30		CCEDRM
C#C[C@@H](C)OC1=C([O-])C(C(=O)OC)N=C1C(=O)OC	ZINC001234349314	806228196	/nfs/dbraw/zinc/22/81/96/806228196.db2.gz	CBQYZJORCNFHLN-ZCFIWIBFSA-N	-1	0	267.237	0.694	20	30		CCEDRM
CC[C@@H](O)C(=O)Oc1[n-]c(=O)nc2cccc(C#N)c21	ZINC001234511378	806265098	/nfs/dbraw/zinc/26/50/98/806265098.db2.gz	OGUCNIGWAXEVTG-SECBINFHSA-N	-1	0	273.248	0.883	20	30		CCEDRM
Cn1c(=O)[n-]c(SC[C@@H]2CCCO2)c(C#N)c1=O	ZINC001120841057	798947236	/nfs/dbraw/zinc/94/72/36/798947236.db2.gz	QPYMIXZOPKSTCT-ZETCQYMHSA-N	-1	0	267.310	0.216	20	30		CCEDRM
COCCNC(=O)C(C#N)=C([O-])c1n[nH]c(C)c1C	ZINC001122409019	799226644	/nfs/dbraw/zinc/22/66/44/799226644.db2.gz	SQLVYFVRFONXSJ-VIFPVBQESA-N	-1	0	264.285	0.112	20	30		CCEDRM
C=C(C)Cn1c(Cc2nn[nH]n2)nnc1N1CCC[C@@H]1C	ZINC001122441401	799234629	/nfs/dbraw/zinc/23/46/29/799234629.db2.gz	BYGCONPWUMZPDV-JTQLQIEISA-N	-1	0	288.359	0.947	20	30		CCEDRM
C=CCCn1cc(C([O-])=C(C#N)C(=O)NC2CC2)nn1	ZINC001122512825	799254335	/nfs/dbraw/zinc/25/43/35/799254335.db2.gz	ODDFZLZUPANLNU-SNVBAGLBSA-N	-1	0	273.296	0.455	20	30		CCEDRM
C=CCC(F)(F)C(=O)N1CC[C@H](c2nnn[n-]2)C1	ZINC001123870044	799491103	/nfs/dbraw/zinc/49/11/03/799491103.db2.gz	WVDKZUVNGJFJDH-ZETCQYMHSA-N	-1	0	257.244	0.727	20	30		CCEDRM
N#C[C@@H]1C[C@H](F)CN1C(=O)c1c[n-]c2cccnc2c1=O	ZINC001153855974	800678914	/nfs/dbraw/zinc/67/89/14/800678914.db2.gz	NLWGRMKULWLPEU-IUCAKERBSA-N	-1	0	286.266	0.999	20	30		CCEDRM
C=CCOCCCC(=O)NC1(c2nnn[n-]2)CCC1	ZINC001153872546	800683894	/nfs/dbraw/zinc/68/38/94/800683894.db2.gz	QWVRRUUQVWLFPQ-UHFFFAOYSA-N	-1	0	265.317	0.678	20	30		CCEDRM
N#Cc1cncc(CNC(=O)c2c[n-]ncc2=O)c1	ZINC001156114148	801112229	/nfs/dbraw/zinc/11/22/29/801112229.db2.gz	DXPRTULGCSUMIV-UHFFFAOYSA-N	-1	0	255.237	0.379	20	30		CCEDRM
N#Cc1ccc2c(c1)n[nH]c2C(=O)NC1C(=O)N=CN=C1[O-]	ZINC001156877874	801252977	/nfs/dbraw/zinc/25/29/77/801252977.db2.gz	BKDJBCDXAQNTIY-UHFFFAOYSA-N	-1	0	296.246	0.888	20	30		CCEDRM
N#Cc1ccc2c(c1)n[nH]c2C(=O)NCS(=O)(=O)[O-]	ZINC001156889592	801254683	/nfs/dbraw/zinc/25/46/83/801254683.db2.gz	YDTJFZWBSQIKST-UHFFFAOYSA-N	-1	0	280.265	0.010	20	30		CCEDRM
N#Cc1nc(Cl)cnc1NCC(=O)CCC(=O)[O-]	ZINC001160874137	802037928	/nfs/dbraw/zinc/03/79/28/802037928.db2.gz	PDUMTKMQOIDCPT-UHFFFAOYSA-N	-1	0	268.660	0.847	20	30		CCEDRM
C=CCC(F)(F)C(=O)NCCCc1n[nH]c(=O)[n-]1	ZINC001160880044	802040859	/nfs/dbraw/zinc/04/08/59/802040859.db2.gz	SVKIGIOQVLKADD-UHFFFAOYSA-N	-1	0	260.244	0.771	20	30		CCEDRM
CN1CCC(C#N)(Nc2nccnc2CC(=O)[O-])CC1	ZINC001162231419	802293630	/nfs/dbraw/zinc/29/36/30/802293630.db2.gz	JLWGXVNQGCSITI-UHFFFAOYSA-N	-1	0	275.312	0.504	20	30		CCEDRM
Cn1c(=O)[n-]c(Oc2ccc3c[nH]nc3c2)c(C#N)c1=O	ZINC001162700274	802400450	/nfs/dbraw/zinc/40/04/50/802400450.db2.gz	FRYKHZCIKCLZGH-UHFFFAOYSA-N	-1	0	283.247	0.614	20	30		CCEDRM
C=CCS(=O)(=O)[N-][C@@H](C(=O)OCC)C(F)(F)F	ZINC001259933244	808809293	/nfs/dbraw/zinc/80/92/93/808809293.db2.gz	QECDPTINRIGSSM-LURJTMIESA-N	-1	0	275.248	0.586	20	30		CCEDRM
C=CCS(=O)(=O)[N-][C@@](C)(C(=O)OC)C(F)(F)F	ZINC001259936325	808811283	/nfs/dbraw/zinc/81/12/83/808811283.db2.gz	QNOKYBCPASYSAQ-ZETCQYMHSA-N	-1	0	275.248	0.586	20	30		CCEDRM
COCCS(=O)(=O)[N-]c1ccc(Cl)nc1C#N	ZINC001259965474	808828607	/nfs/dbraw/zinc/82/86/07/808828607.db2.gz	PROGRGFENRUOLN-UHFFFAOYSA-N	-1	0	275.717	0.995	20	30		CCEDRM
CN1C[C@@H]2COC[C@H](C1)N2C(=O)CCC(=O)C1=CC=C[CH]1	ZINC001272094716	814972736	/nfs/dbraw/zinc/97/27/36/814972736.db2.gz	ZIPZAXGPXMPCPW-OKILXGFUSA-N	-1	0	289.355	0.578	20	30		CCEDRM
C=CCSCCNS(=O)(=O)[C@H]1CC[C@H]1C(=O)[O-]	ZINC001465119562	804186192	/nfs/dbraw/zinc/18/61/92/804186192.db2.gz	WFANIMQTONSDMM-BDAKNGLRSA-N	-1	0	279.383	0.688	20	30		CCEDRM
N#Cc1cc(NC(=O)[C@@H]2COCCN2)c([O-])cc1F	ZINC001219068560	804189808	/nfs/dbraw/zinc/18/98/08/804189808.db2.gz	YGSKVIJNJXIJED-JTQLQIEISA-N	-1	0	265.244	0.330	20	30		CCEDRM
N#CN=C(NC([O-])=C(N)C(F)(F)F)c1ccncc1	ZINC001219972828	804461170	/nfs/dbraw/zinc/46/11/70/804461170.db2.gz	XHIMLYRRPWSNJT-SSDOTTSWSA-N	-1	0	271.202	0.315	20	30		CCEDRM
N#Cc1ccc(C(=O)N2CC3(C[C@@H]3C(N)=O)C2)c([O-])c1	ZINC001276864641	804954786	/nfs/dbraw/zinc/95/47/86/804954786.db2.gz	DQGXFDDKGHKHMT-SNVBAGLBSA-N	-1	0	271.276	0.211	20	30		CCEDRM
COC(=O)c1cc(=O)[n-]c(OC2=C(C)O[C@@H](C)C2=O)n1	ZINC001225734120	805154984	/nfs/dbraw/zinc/15/49/84/805154984.db2.gz	IJLBDOKILGFTRF-YFKPBYRVSA-N	-1	0	280.236	0.567	20	30		CCEDRM
C#C[C@H](CCCCC)Oc1c([O-])c(=O)c(=O)c1=O	ZINC001225831522	805168234	/nfs/dbraw/zinc/16/82/34/805168234.db2.gz	WPNFWXMCOWBPDX-MRVPVSSYSA-N	-1	0	250.250	0.309	20	30		CCEDRM
N#Cc1cc(F)c(=O)[n-]c1OC[C@@H]1COCCO1	ZINC001226009086	805186053	/nfs/dbraw/zinc/18/60/53/805186053.db2.gz	RPKWAEYOOSIOTC-QMMMGPOBSA-N	-1	0	254.217	0.592	20	30		CCEDRM
C#C[C@H](Oc1[n-]c(=O)cc(C)c1C#N)C(=O)OCC	ZINC001226222671	805206883	/nfs/dbraw/zinc/20/68/83/805206883.db2.gz	GJFXQRHFEOKADC-JTQLQIEISA-N	-1	0	260.249	0.911	20	30		CCEDRM
Cc1cc(=O)[n-]c(OC[C@@H]2COCCO2)c1C#N	ZINC001226221044	805207656	/nfs/dbraw/zinc/20/76/56/805207656.db2.gz	HDKOYFYBKAQQQK-VIFPVBQESA-N	-1	0	250.254	0.762	20	30		CCEDRM
COC(=O)c1[n-]c(=O)nc(O[C@@H](C)CS)c1[N+](=O)[O-]	ZINC001226647814	805259264	/nfs/dbraw/zinc/25/92/64/805259264.db2.gz	CLUZVRMWSALVDK-BYPYZUCNSA-N	-1	0	289.269	0.574	20	30		CCEDRM
N#Cc1nc2ccc(OC(=O)[C@@H](O)CC(=O)[O-])cc2s1	ZINC001226670941	805262717	/nfs/dbraw/zinc/26/27/17/805262717.db2.gz	CHPAPCWXORXZMO-QMMMGPOBSA-N	-1	0	292.272	0.909	20	30		CCEDRM
C#C[C@H](CC(C)C)Oc1[n-]c(=O)nc2c(=O)[n-]c(=O)[nH]c21	ZINC001226886293	805290275	/nfs/dbraw/zinc/29/02/75/805290275.db2.gz	MTBZAZAEMJTJSE-SSDOTTSWSA-N	-1	0	290.279	0.963	20	30		CCEDRM
C#C[C@@H](Oc1[n-]c(=O)nc2cnccc21)C(=O)OCC	ZINC001226976322	805301504	/nfs/dbraw/zinc/30/15/04/805301504.db2.gz	KUBCOHOOMGBOQB-SNVBAGLBSA-N	-1	0	273.248	0.262	20	30		CCEDRM
N#Cc1ccc2[nH]c(OC(=O)[C@H](O)CC(=O)[O-])nc2c1	ZINC001227216449	805331980	/nfs/dbraw/zinc/33/19/80/805331980.db2.gz	SRHCJWQRLOTFNA-SECBINFHSA-N	-1	0	275.220	0.176	20	30		CCEDRM
C=CCOC[C@@H](CS(=O)(=O)[O-])Oc1cc(C)on1	ZINC001227277177	805340185	/nfs/dbraw/zinc/34/01/85/805340185.db2.gz	AVCRAQQIRTZPLN-VIFPVBQESA-N	-1	0	277.298	0.821	20	30		CCEDRM
N#Cc1ccc(=O)[n-]c1O[C@@H]1[C@H]2C[C@H]3C(=O)O[C@@H]1[C@H]3C2	ZINC001228898091	805487664	/nfs/dbraw/zinc/48/76/64/805487664.db2.gz	BTPMBOKWZRQKRN-VNJKPEEASA-N	-1	0	272.260	0.988	20	30		CCEDRM
C=CCCCC(=O)NC1CCN(Cc2n[nH]c(=O)[n-]2)CC1	ZINC001228928135	805491132	/nfs/dbraw/zinc/49/11/32/805491132.db2.gz	WGISWKHIQAPUPS-UHFFFAOYSA-N	-1	0	293.371	0.947	20	30		CCEDRM
Cc1nc(O[C@@H]2CCN(CC#N)C2)c([N+](=O)[O-])c(=O)[n-]1	ZINC001229381659	805526244	/nfs/dbraw/zinc/52/62/44/805526244.db2.gz	OGXQVSXJGVGZIZ-MRVPVSSYSA-N	-1	0	279.256	0.376	20	30		CCEDRM
C=C[C@@H](Oc1nc(C)[n-]c(=O)c1[N+](=O)[O-])C(=O)OC	ZINC001229380878	805527800	/nfs/dbraw/zinc/52/78/00/805527800.db2.gz	MNLYUHANNYIVDS-ZCFIWIBFSA-N	-1	0	269.213	0.505	20	30		CCEDRM
CNC(=O)c1cc(C#N)cc(C)c1[N-]S(=O)(=O)N(C)C	ZINC001251097890	807663643	/nfs/dbraw/zinc/66/36/43/807663643.db2.gz	GKEJJDKVZUZHBG-UHFFFAOYSA-N	-1	0	296.352	0.445	20	30		CCEDRM
CC(C)C[C@H]([N-]S(=O)(=O)C(F)(F)F)C(=O)NO	ZINC001252407481	807821989	/nfs/dbraw/zinc/82/19/89/807821989.db2.gz	ZDUARQBHHHVEGS-YFKPBYRVSA-N	-1	0	278.252	0.346	20	30		CCEDRM
C#CC[S@@](=O)Cc1cn(CCCCC(=O)[O-])nn1	ZINC001254081803	808177891	/nfs/dbraw/zinc/17/78/91/808177891.db2.gz	VJTCLUNTOWIWBJ-GOSISDBHSA-N	-1	0	269.326	0.415	20	30		CCEDRM
COC(=O)CS(=O)(=O)[N-]c1ccc(C#N)c(C)c1	ZINC001259025953	808722621	/nfs/dbraw/zinc/72/26/21/808722621.db2.gz	FEXYIDMEJRYTLJ-UHFFFAOYSA-N	-1	0	268.294	0.781	20	30		CCEDRM
COC(=O)CS(=O)(=O)[N-]c1cc(F)c(C#N)c(F)c1	ZINC001259026794	808724198	/nfs/dbraw/zinc/72/41/98/808724198.db2.gz	DKTLBBHLYXAYIT-UHFFFAOYSA-N	-1	0	290.247	0.751	20	30		CCEDRM
N#Cc1cccc(S(=O)(=O)[N-]c2nnco2)c1	ZINC001259117385	808732274	/nfs/dbraw/zinc/73/22/74/808732274.db2.gz	KFRGDSORGASEDK-UHFFFAOYSA-N	-1	0	250.239	0.742	20	30		CCEDRM
COc1nonc1[N-]S(=O)(=O)c1cccc(C#N)c1	ZINC001259117805	808732509	/nfs/dbraw/zinc/73/25/09/808732509.db2.gz	HVYDDWUXUUICGO-UHFFFAOYSA-N	-1	0	280.265	0.751	20	30		CCEDRM
Cn1cc(S(=O)(=O)[N-]c2ccc(O)cc2C#N)cn1	ZINC001259826802	808779383	/nfs/dbraw/zinc/77/93/83/808779383.db2.gz	PWGMLPOQKPLUPT-UHFFFAOYSA-N	-1	0	278.293	0.798	20	30		CCEDRM
C=CCS(=O)(=O)[N-]c1cc2n(n1)CC1(CC1)CO2	ZINC001259923703	808805680	/nfs/dbraw/zinc/80/56/80/808805680.db2.gz	XMLKPCDEWFIBDU-UHFFFAOYSA-N	-1	0	269.326	0.983	20	30		CCEDRM
Cc1nc(S(=O)(=O)[N-]c2cncc(C#N)n2)cn1C	ZINC001260541852	808862638	/nfs/dbraw/zinc/86/26/38/808862638.db2.gz	CTGCINDPBVZVAV-UHFFFAOYSA-N	-1	0	278.297	0.191	20	30		CCEDRM
Cc1nc(S(=O)(=O)[N-]c2cccnc2C#N)cn1C	ZINC001260542500	808863168	/nfs/dbraw/zinc/86/31/68/808863168.db2.gz	VIJACCAOSBSTCA-UHFFFAOYSA-N	-1	0	277.309	0.796	20	30		CCEDRM
CS(=O)(=O)CS(=O)(=O)[N-]c1csc(C#N)c1	ZINC001260584881	808869974	/nfs/dbraw/zinc/86/99/74/808869974.db2.gz	DEYIUIWXSSLRPR-UHFFFAOYSA-N	-1	0	280.352	0.364	20	30		CCEDRM
N#Cc1ncc(F)cc1[N-]S(=O)(=O)c1cn[nH]c1	ZINC001260954981	808888533	/nfs/dbraw/zinc/88/85/33/808888533.db2.gz	ICQIBXZLMMYUIF-UHFFFAOYSA-N	-1	0	267.245	0.616	20	30		CCEDRM
N#Cc1ccc([N-]S(=O)(=O)c2cn[nH]c2)c(O)c1	ZINC001260961197	808891630	/nfs/dbraw/zinc/89/16/30/808891630.db2.gz	JJDUAHIJSMLIHG-UHFFFAOYSA-N	-1	0	264.266	0.788	20	30		CCEDRM
CCc1nocc1C=Nn1c(=O)c(C)n[n-]c1=S	ZINC001261236184	808935476	/nfs/dbraw/zinc/93/54/76/808935476.db2.gz	YEUHZZYKKUOOEX-UHFFFAOYSA-N	-1	0	265.298	0.668	20	30		CCEDRM
N#CCCCCC(=O)[N-]S(=O)(=O)c1cnccn1	ZINC001261549625	809015900	/nfs/dbraw/zinc/01/59/00/809015900.db2.gz	ZKJKOGRWFMITLO-UHFFFAOYSA-N	-1	0	268.298	0.365	20	30		CCEDRM
Cn1nccc1[C@@H](NC(=O)CCCCC#N)C(=O)[O-]	ZINC001261552733	809018885	/nfs/dbraw/zinc/01/88/85/809018885.db2.gz	BYZMCJWCTOLUKO-LLVKDONJSA-N	-1	0	264.285	0.746	20	30		CCEDRM
C=C(C)C[C@H](CO)NC(=O)c1c[n-]n2c1nccc2=O	ZINC001262030544	809164443	/nfs/dbraw/zinc/16/44/43/809164443.db2.gz	NPSMYIAVJHJSKZ-SECBINFHSA-N	-1	0	276.296	0.080	20	30		CCEDRM
C=CC[C@H](NC(=O)c1cnc(NC)s1)C(=O)[O-]	ZINC001262176858	809222782	/nfs/dbraw/zinc/22/27/82/809222782.db2.gz	BGSGFBGSSOYXNN-LURJTMIESA-N	-1	0	255.299	0.944	20	30		CCEDRM
C=CC[C@@H](NC(=O)[C@@H]1CCc2c[nH]nc2C1)C(=O)[O-]	ZINC001262177392	809223278	/nfs/dbraw/zinc/22/32/78/809223278.db2.gz	STQQCDXVLJQSLE-PSASIEDQSA-N	-1	0	263.297	0.660	20	30		CCEDRM
CNC(=O)C(C#N)=C([O-])c1c2c(nn1C)CCSC2	ZINC001263296670	809504350	/nfs/dbraw/zinc/50/43/50/809504350.db2.gz	MMCJUIDJJHNLEJ-ZETCQYMHSA-N	-1	0	278.337	0.278	20	30		CCEDRM
C=C[C@H](Oc1[nH]ccc(=O)c1[N+](=O)[O-])C(=O)OC	ZINC001225666115	813302399	/nfs/dbraw/zinc/30/23/99/813302399.db2.gz	GKAWLQLRRRDJDO-ZETCQYMHSA-N	-1	0	254.198	0.802	20	30		CCEDRM
C#CCN1C[C@@H]2CCN(C(=O)c3n[nH]c(C)c3[O-])[C@@H]2C1	ZINC001075693401	813338043	/nfs/dbraw/zinc/33/80/43/813338043.db2.gz	JDCNLMWIBGIRMQ-WDEREUQCSA-N	-1	0	274.324	0.203	20	30		CCEDRM
C=CCOC[C@@H](CS(=O)(=O)[O-])Oc1cccc[n+]1[O-]	ZINC001226796975	814155404	/nfs/dbraw/zinc/15/54/04/814155404.db2.gz	QGOUUUIXYGTIHG-JTQLQIEISA-N	-1	0	289.309	0.158	20	30		CCEDRM
N#Cc1ccc([N+](=O)[O-])cc1OC(=O)[C@@H](O)CC(=O)[O-]	ZINC001228922647	814861587	/nfs/dbraw/zinc/86/15/87/814861587.db2.gz	HFNHARRLWDDERT-QMMMGPOBSA-N	-1	0	280.192	0.207	20	30		CCEDRM
C=CCCSCCNC(=O)N1C[C@H](O)C[C@@H]1C(=O)[O-]	ZINC000696042282	815932826	/nfs/dbraw/zinc/93/28/26/815932826.db2.gz	CHPMJGPJHMEEGU-NXEZZACHSA-N	-1	0	288.369	0.525	20	30		CCEDRM
C#CCN1CC[C@H](N(C)C(=O)c2n[nH]c(C)c2[O-])C1	ZINC001033010057	818422449	/nfs/dbraw/zinc/42/24/49/818422449.db2.gz	QBWBYZLMDVMEGH-JTQLQIEISA-N	-1	0	262.313	0.203	20	30		CCEDRM
CC#CCN1CC[C@@H](N(C)C(=O)c2n[nH]c(C)c2[O-])C1	ZINC001033016139	818426898	/nfs/dbraw/zinc/42/68/98/818426898.db2.gz	QKPZBQDSTIXDPK-LLVKDONJSA-N	-1	0	276.340	0.593	20	30		CCEDRM
CCN(C(C)=O)c1nc(C=Nn2c(=O)[n-][nH]c2=O)cs1	ZINC001117735193	818642226	/nfs/dbraw/zinc/64/22/26/818642226.db2.gz	DETDOWWBWMEQMR-UHFFFAOYSA-N	-1	0	296.312	0.401	20	30		CCEDRM
C=CC[C@H]1CCN(C(=O)c2cn(CC(=O)[O-])nn2)C1	ZINC000703622831	819303296	/nfs/dbraw/zinc/30/32/96/819303296.db2.gz	OLYBVNVYJUNSHW-VIFPVBQESA-N	-1	0	264.285	0.401	20	30		CCEDRM
COC(=O)n1ncc(C#N)c1[N-]c1cccc[n+]1[O-]	ZINC001169968309	836486323	/nfs/dbraw/zinc/48/63/23/836486323.db2.gz	PGNOIJLGAWEUBE-UHFFFAOYSA-N	-1	0	259.225	0.746	20	30		CCEDRM
COC(=O)n1ncc(C#N)c1[N-]c1cnc([N+](=O)[O-])cn1	ZINC001169968419	836486529	/nfs/dbraw/zinc/48/65/29/836486529.db2.gz	SVHBDWVRMPPYOE-UHFFFAOYSA-N	-1	0	289.211	0.811	20	30		CCEDRM
COC(=O)n1ncc(C#N)c1[N-]c1ccc(C#N)nn1	ZINC001169961463	836489192	/nfs/dbraw/zinc/48/91/92/836489192.db2.gz	OCKFOCGMDVTCEN-UHFFFAOYSA-N	-1	0	269.224	0.775	20	30		CCEDRM
COC(=O)n1ncc(C#N)c1[N-]c1ncc([N+](=O)[O-])cn1	ZINC001169961350	836490074	/nfs/dbraw/zinc/49/00/74/836490074.db2.gz	NPPBISGUROGQII-UHFFFAOYSA-N	-1	0	289.211	0.811	20	30		CCEDRM
C=C(CC(=O)OCCCC)C(=O)NCc1nnn[n-]1	ZINC001184312707	844200276	/nfs/dbraw/zinc/20/02/76/844200276.db2.gz	XJNOTMADNZWRCU-UHFFFAOYSA-N	-1	0	267.289	0.106	20	30		CCEDRM
CCOC(=O)[C@@H](C#N)Nc1cncc(C(=O)[O-])n1	ZINC001170365641	837311285	/nfs/dbraw/zinc/31/12/85/837311285.db2.gz	AVGNZWPZHRLKGG-ZCFIWIBFSA-N	-1	0	250.214	0.042	20	30		CCEDRM
N#C[C@@H](Nc1[nH]c(=O)c(Cl)cc1Cl)C(N)=O	ZINC001170530969	837973063	/nfs/dbraw/zinc/97/30/63/837973063.db2.gz	GLABXWRWRNWSIF-RXMQYKEDSA-N	-1	0	261.068	0.883	20	30		CCEDRM
N#Cc1cccc(O[N-]C(=O)c2cccn3nnnc23)c1	ZINC001151431957	844320780	/nfs/dbraw/zinc/32/07/80/844320780.db2.gz	LTLVFOKCHFEITB-UHFFFAOYSA-N	-1	0	280.247	0.720	20	30		CCEDRM
CC#CCS(=O)(=O)[N-]C(=O)c1ccnc(N(C)C)c1	ZINC000810773896	838406301	/nfs/dbraw/zinc/40/63/01/838406301.db2.gz	IMRFNTWKXUARMM-UHFFFAOYSA-N	-1	0	281.337	0.231	20	30		CCEDRM
CSc1ncc([O-])c(C(=O)N2CCO[C@@H](C#N)C2)n1	ZINC001185176788	844355333	/nfs/dbraw/zinc/35/53/33/844355333.db2.gz	NXGMTVZDHNHQKB-ZETCQYMHSA-N	-1	0	280.309	0.269	20	30		CCEDRM
CC1=NO[C@@](C)(C(=O)Nc2nc(C#N)c(C#N)[n-]2)C1	ZINC001143814467	839882732	/nfs/dbraw/zinc/88/27/32/839882732.db2.gz	FEGPMVYMASABRE-LLVKDONJSA-N	-1	0	258.241	0.646	20	30		CCEDRM
N#Cc1cc(NC(=O)CN2CC[C@H](O)C2)c([O-])cc1F	ZINC001186051822	844499968	/nfs/dbraw/zinc/49/99/68/844499968.db2.gz	ZPTACXVRSIYRSN-VIFPVBQESA-N	-1	0	279.271	0.408	20	30		CCEDRM
N#Cc1cc(NC(=O)CN2CC[C@@H](O)C2)c([O-])cc1F	ZINC001186051820	844501993	/nfs/dbraw/zinc/50/19/93/844501993.db2.gz	ZPTACXVRSIYRSN-SECBINFHSA-N	-1	0	279.271	0.408	20	30		CCEDRM
CC(=O)/C=C(/C)NC(=O)c1c([O-])c(C)ncc1CO	ZINC001147842990	840696843	/nfs/dbraw/zinc/69/68/43/840696843.db2.gz	NQFQVWGZNLLFEC-DAXSKMNVSA-N	-1	0	264.281	0.811	20	30		CCEDRM
CC(C)Oc1ccc(C(=O)NCc2nnn[n-]2)cc1C#N	ZINC001148777539	840885589	/nfs/dbraw/zinc/88/55/89/840885589.db2.gz	KSFGLDZNCGFUTR-UHFFFAOYSA-N	-1	0	286.295	0.789	20	30		CCEDRM
N#Cc1c(N)nn(C(=O)c2cc(F)c(F)c([O-])c2F)c1N	ZINC001186771416	844600810	/nfs/dbraw/zinc/60/08/10/844600810.db2.gz	WDDNMTIDNTXTEE-UHFFFAOYSA-N	-1	0	297.196	0.731	20	30		CCEDRM
CC#CCCNC(=O)N1CC(F)(F)C[C@H]1C(=O)[O-]	ZINC000713556532	841143454	/nfs/dbraw/zinc/14/34/54/841143454.db2.gz	QMTCHYLBMYLJOM-QMMMGPOBSA-N	-1	0	260.240	0.904	20	30		CCEDRM
C#CCN(CC(=O)[O-])S(=O)(=O)CCCC1CC1	ZINC000714964691	841236330	/nfs/dbraw/zinc/23/63/30/841236330.db2.gz	VHSMNLDJBAPPIE-UHFFFAOYSA-N	-1	0	259.327	0.526	20	30		CCEDRM
N#Cc1ccc(NC(=O)Cn2nn[n-]c2=S)c(O)c1	ZINC001177741103	842664834	/nfs/dbraw/zinc/66/48/34/842664834.db2.gz	SXQLMSWYJDWKFU-UHFFFAOYSA-N	-1	0	276.281	0.178	20	30		CCEDRM
C#Cc1ccc(CNC(=O)Cn2nn[n-]c2=S)cc1	ZINC001177744029	842666519	/nfs/dbraw/zinc/66/65/19/842666519.db2.gz	QAXGFGSKWLEZHH-UHFFFAOYSA-N	-1	0	273.321	0.260	20	30		CCEDRM
O=C(C#Cc1ccccn1)NC1C(=O)N=CN=C1[O-]	ZINC001177798740	842679653	/nfs/dbraw/zinc/67/96/53/842679653.db2.gz	MEARYJYOCANMCO-UHFFFAOYSA-N	-1	0	256.221	0.273	20	30		CCEDRM
N#C[C@@H](Cc1cccs1)C(=O)NCc1nnn[n-]1	ZINC001177916737	842708069	/nfs/dbraw/zinc/70/80/69/842708069.db2.gz	ZPNJZKAUUGPEQA-SSDOTTSWSA-N	-1	0	262.298	0.260	20	30		CCEDRM
O=C(C#Cc1ccc(F)cc1F)NCc1nnn[n-]1	ZINC001178574398	842883309	/nfs/dbraw/zinc/88/33/09/842883309.db2.gz	YLKWOUBKUAZPMJ-UHFFFAOYSA-N	-1	0	263.207	0.146	20	30		CCEDRM
C=C(C)C[C@@H](NC(C)=O)C(=O)N[C@H](C)c1nn(C)cc1[O-]	ZINC001179926901	843081501	/nfs/dbraw/zinc/08/15/01/843081501.db2.gz	PKTNQNJZXAXTRO-MWLCHTKSSA-N	-1	0	294.355	0.774	20	30		CCEDRM
C=CCSCC(=O)NCCCC[P@](=O)([O-])O	ZINC001180561673	843208901	/nfs/dbraw/zinc/20/89/01/843208901.db2.gz	UGPQYCIJKYAVAC-UHFFFAOYSA-N	-1	0	267.287	0.980	20	30		CCEDRM
N#Cc1cc([N-]S(=O)(=O)c2c[nH]cn2)c(O)cc1F	ZINC001187763247	844769093	/nfs/dbraw/zinc/76/90/93/844769093.db2.gz	ZXHJLTDNEWUDAG-UHFFFAOYSA-N	-1	0	282.256	0.927	20	30		CCEDRM
Cn1cnc(C#N)c1[N-]S(=O)(=O)c1nccs1	ZINC001187861334	844786251	/nfs/dbraw/zinc/78/62/51/844786251.db2.gz	VOTHTTFFHSNJEU-UHFFFAOYSA-N	-1	0	269.311	0.549	20	30		CCEDRM
C#Cc1cnc([N-]S(=O)(=O)c2ccoc2)c(C#C)n1	ZINC001188576232	844923011	/nfs/dbraw/zinc/92/30/11/844923011.db2.gz	HJJQIQFFMUYDOQ-UHFFFAOYSA-N	-1	0	273.273	0.833	20	30		CCEDRM
N#C[C@H]1CN(C(=O)c2ccccc2S(=O)(=O)[O-])CCO1	ZINC001189689615	845192695	/nfs/dbraw/zinc/19/26/95/845192695.db2.gz	KPVRXJHCTFUPKI-VIFPVBQESA-N	-1	0	296.304	0.298	20	30		CCEDRM
CN(C)C(=O)CNS(=O)(=O)c1cc(C#N)ccc1F	ZINC001190608631	845444258	/nfs/dbraw/zinc/44/42/58/845444258.db2.gz	WWXNQYSRYILCKO-UHFFFAOYSA-N	-1	0	285.300	0.064	20	30		CCEDRM
CC1(C)CC(=O)C=C(NS(=O)(=O)c2ncc[n-]2)C1	ZINC001190748924	845490451	/nfs/dbraw/zinc/49/04/51/845490451.db2.gz	OJBVVTIDFRJLRM-UHFFFAOYSA-N	-1	0	269.326	0.961	20	30		CCEDRM
CCOc1ccc(S(=O)(=O)N(C)CC#N)cc1C(=O)[O-]	ZINC001192627386	845887311	/nfs/dbraw/zinc/88/73/11/845887311.db2.gz	RJAULYLUBDUMFA-UHFFFAOYSA-N	-1	0	298.320	0.928	20	30		CCEDRM
COC(=O)[C@H](CS)NC(=O)c1ccc(F)c(F)c1[O-]	ZINC001192812046	845915026	/nfs/dbraw/zinc/91/50/26/845915026.db2.gz	ZXCPVTYMSSDBNM-ZETCQYMHSA-N	-1	0	291.275	0.872	20	30		CCEDRM
N#CCS(=O)(=O)[N-]c1cnn2cccc(F)c12	ZINC001192951649	845934440	/nfs/dbraw/zinc/93/44/40/845934440.db2.gz	NQGNQMHMTQGAJA-UHFFFAOYSA-N	-1	0	254.246	0.739	20	30		CCEDRM
C[NH+]1CCN(c2ccc(NS(=O)(=O)CC#N)cn2)CC1	ZINC001192935025	845940039	/nfs/dbraw/zinc/94/00/39/845940039.db2.gz	HHUAHWCSBIQUEL-UHFFFAOYSA-N	-1	0	295.368	0.099	20	30		CCEDRM
N#CCS(=O)(=O)[N-]c1nccnc1Br	ZINC001192939615	845943097	/nfs/dbraw/zinc/94/30/97/845943097.db2.gz	UXVHOUPGDYVBBQ-UHFFFAOYSA-N	-1	0	277.103	0.504	20	30		CCEDRM
Cc1cc2ncc([N-]S(=O)(=O)CC#N)cn2n1	ZINC001192939017	845943560	/nfs/dbraw/zinc/94/35/60/845943560.db2.gz	KPKRQQQZGYQOOJ-UHFFFAOYSA-N	-1	0	251.271	0.303	20	30		CCEDRM
N#CCS(=O)(=O)[N-]c1cccc2c1NC(=O)CC2	ZINC001192986301	845944686	/nfs/dbraw/zinc/94/46/86/845944686.db2.gz	WMJFXFWTGLFUPA-UHFFFAOYSA-N	-1	0	265.294	0.837	20	30		CCEDRM
Cc1ccc(C(N)=O)c([N-]S(=O)(=O)CC#N)c1	ZINC001192979044	845961063	/nfs/dbraw/zinc/96/10/63/845961063.db2.gz	VSUQWEFIALPOEO-UHFFFAOYSA-N	-1	0	253.283	0.359	20	30		CCEDRM
Cn1ncc2c1cccc2[N-]S(=O)(=O)CC#N	ZINC001192978809	845961503	/nfs/dbraw/zinc/96/15/03/845961503.db2.gz	HOTACCTYDDUIHT-UHFFFAOYSA-N	-1	0	250.283	0.839	20	30		CCEDRM
CNC(=O)c1cccc([N-]S(=O)(=O)CC#N)c1	ZINC001192978757	845961751	/nfs/dbraw/zinc/96/17/51/845961751.db2.gz	DSHAAZQQGKARPS-UHFFFAOYSA-N	-1	0	253.283	0.311	20	30		CCEDRM
CC(=O)c1cccnc1[N-]S(=O)(=O)[C@H](C)C#N	ZINC001193105254	845979490	/nfs/dbraw/zinc/97/94/90/845979490.db2.gz	TUMHUVUDZBSIHD-SSDOTTSWSA-N	-1	0	253.283	0.938	20	30		CCEDRM
Cc1ccnc(C#N)c1[N-]S(=O)(=O)[C@@H](C)C#N	ZINC001193111658	845981493	/nfs/dbraw/zinc/98/14/93/845981493.db2.gz	KDICMRATHLJYSD-QMMMGPOBSA-N	-1	0	250.283	0.915	20	30		CCEDRM
C[C@@H](O)c1ccnc([N-]S(=O)(=O)[C@@H](C)C#N)c1	ZINC001193112400	845981515	/nfs/dbraw/zinc/98/15/15/845981515.db2.gz	SRUDHGMYTGRRGH-JGVFFNPUSA-N	-1	0	255.299	0.789	20	30		CCEDRM
COC(=O)/C=C/c1ccc([N-]S(=O)(=O)[C@H](C)C#N)nc1	ZINC001193112920	845982995	/nfs/dbraw/zinc/98/29/95/845982995.db2.gz	WPNUCSHAIUNBMM-OTQAPUNGSA-N	-1	0	295.320	0.922	20	30		CCEDRM
CCOc1cc(C(N)=O)ccc1[N-]S(=O)(=O)[C@@H](C)C#N	ZINC001193139744	846003641	/nfs/dbraw/zinc/00/36/41/846003641.db2.gz	LRWZHJANWZJLCK-QMMMGPOBSA-N	-1	0	297.336	0.838	20	30		CCEDRM
COc1ccc(CO)cc1[N-]S(=O)(=O)[C@H](C)C#N	ZINC001193149393	846006206	/nfs/dbraw/zinc/00/62/06/846006206.db2.gz	NTYFQMBPOPTGQY-MRVPVSSYSA-N	-1	0	270.310	0.841	20	30		CCEDRM
C[C@H](C#N)S(=O)(=O)[N-]c1cccc(C(N)=O)c1F	ZINC001193162224	846010562	/nfs/dbraw/zinc/01/05/62/846010562.db2.gz	WOHOGAWAIHYYKE-ZCFIWIBFSA-N	-1	0	271.273	0.578	20	30		CCEDRM
CCOC(=O)[C@H]([N-]S(=O)(=O)[C@@H](C)C#N)c1ccccn1	ZINC001193182966	846027292	/nfs/dbraw/zinc/02/72/92/846027292.db2.gz	UXXGZJYPTVBWNB-GXSJLCMTSA-N	-1	0	297.336	0.517	20	30		CCEDRM
Cn1cc([N-]S(=O)(=O)CC2CCC2)c(C#N)n1	ZINC001193479766	846090896	/nfs/dbraw/zinc/09/08/96/846090896.db2.gz	BIGJCZDUDVMSLN-UHFFFAOYSA-N	-1	0	254.315	0.834	20	30		CCEDRM
N#Cc1cccc(C(=O)n2c(=N)c(N)cnc2Cl)c1[O-]	ZINC001193643170	846135519	/nfs/dbraw/zinc/13/55/19/846135519.db2.gz	YSFLDEOKPUOIFT-UHFFFAOYSA-N	-1	0	289.682	0.864	20	30		CCEDRM
CN1CCOC[C@H]1CNC(=O)c1cccc(C#N)c1[O-]	ZINC001193657909	846140366	/nfs/dbraw/zinc/14/03/66/846140366.db2.gz	LISKNFFILPGKAK-LLVKDONJSA-N	-1	0	275.308	0.324	20	30		CCEDRM
Cn1cnc([N-]S(=O)(=O)c2ccccc2N)c1C#N	ZINC001193900217	846178281	/nfs/dbraw/zinc/17/82/81/846178281.db2.gz	IKKFFONXNWHOKS-UHFFFAOYSA-N	-1	0	277.309	0.675	20	30		CCEDRM
N#Cc1cncc(C(=O)NCCCC[P@](=O)([O-])O)c1	ZINC001194113591	846215936	/nfs/dbraw/zinc/21/59/36/846215936.db2.gz	NWKPQMZIXUQNNC-UHFFFAOYSA-N	-1	0	283.224	0.641	20	30		CCEDRM
N#Cc1ccc(C(=O)NC[C@@H]2CNC(=O)O2)c([O-])c1	ZINC001195768193	846615884	/nfs/dbraw/zinc/61/58/84/846615884.db2.gz	IOITVYREEIZOPI-MRVPVSSYSA-N	-1	0	261.237	0.102	20	30		CCEDRM
C[C@@]1(CO)CCN(C(=O)c2ccc(C#N)cc2[O-])C[C@@H]1O	ZINC001195741168	846618736	/nfs/dbraw/zinc/61/87/36/846618736.db2.gz	PXWZQUNLUSLMFZ-ZFWWWQNUSA-N	-1	0	290.319	0.469	20	30		CCEDRM
CC(C)(C)N(C[C@@H](O)CO)C(=O)c1ccc(C#N)cc1[O-]	ZINC001195740318	846619379	/nfs/dbraw/zinc/61/93/79/846619379.db2.gz	CPTNQIDRKBQMKD-LLVKDONJSA-N	-1	0	292.335	0.858	20	30		CCEDRM
N#Cc1cc(NC(=O)c2cncc(=O)[nH]2)c([O-])cc1F	ZINC001196164549	846698586	/nfs/dbraw/zinc/69/85/86/846698586.db2.gz	LCWVYIMMFMPCSA-UHFFFAOYSA-N	-1	0	274.211	0.739	20	30		CCEDRM
COC(=O)c1onc(C)c1[N-]C(=O)c1cnc(C#N)cn1	ZINC001199662689	847387150	/nfs/dbraw/zinc/38/71/50/847387150.db2.gz	XNDNEHWYLVSIDR-UHFFFAOYSA-N	-1	0	287.235	0.684	20	30		CCEDRM
N#Cc1cnc(C(=O)[N-]c2noc3nccnc23)cn1	ZINC001199661492	847387708	/nfs/dbraw/zinc/38/77/08/847387708.db2.gz	GDNRWPHGTWCZNK-UHFFFAOYSA-N	-1	0	267.208	0.532	20	30		CCEDRM
C=C[C@H](O)CNc1ccc(OC)cc1S(=O)(=O)[O-]	ZINC001253592651	849585275	/nfs/dbraw/zinc/58/52/75/849585275.db2.gz	UVBLOWLYSUVFSU-QMMMGPOBSA-N	-1	0	273.310	0.901	20	30		CCEDRM
C=CCN1CC[C@@H]1CNC(=O)c1c[n-]n2c1nccc2=O	ZINC001038777584	850013474	/nfs/dbraw/zinc/01/34/74/850013474.db2.gz	FERPWETZMNWEFO-SNVBAGLBSA-N	-1	0	287.323	0.013	20	30		CCEDRM
C#CCN1CC[C@H]1CNC(=O)c1ccc2oc(=O)nc-2[n-]1	ZINC001038920642	850084364	/nfs/dbraw/zinc/08/43/64/850084364.db2.gz	IIFUWWBELCAQDR-VIFPVBQESA-N	-1	0	286.291	0.366	20	30		CCEDRM
C=CCC1(C(=O)[O-])CN(S(=O)(=O)c2cccnc2)C1	ZINC000722908936	850166867	/nfs/dbraw/zinc/16/68/67/850166867.db2.gz	SWWGEQUFNJKYCN-UHFFFAOYSA-N	-1	0	282.321	0.733	20	30		CCEDRM
COC(=O)CS(=O)(=O)[N-]c1nc(Cl)ccc1C#N	ZINC001259019125	850168113	/nfs/dbraw/zinc/16/81/13/850168113.db2.gz	UMXGGRNHLPCYAY-UHFFFAOYSA-N	-1	0	289.700	0.521	20	30		CCEDRM
C=C1CCN(C(=O)c2cn(CC(=O)[O-])nn2)CC1	ZINC000382561018	853852170	/nfs/dbraw/zinc/85/21/70/853852170.db2.gz	UOXGWLBADLXBDE-UHFFFAOYSA-N	-1	0	250.258	0.155	20	30		CCEDRM
C#CC[C@@H](NC(=O)c1ccc(CNC(C)=O)cc1)C(=O)[O-]	ZINC000149897777	854006739	/nfs/dbraw/zinc/00/67/39/854006739.db2.gz	XDGYFJRURFHJJD-CYBMUJFWSA-N	-1	0	288.303	0.529	20	30		CCEDRM
C=CCN(CC(=O)[O-])C(=O)NC[C@]1(C)CCOC1	ZINC000397132825	854402162	/nfs/dbraw/zinc/40/21/62/854402162.db2.gz	XBBAJCQEXGUYJM-LBPRGKRZSA-N	-1	0	256.302	0.695	20	30		CCEDRM
N#Cc1ccc(C(=O)N2CC(CC(N)=O)C2)cc1O	ZINC001256370697	855281556	/nfs/dbraw/zinc/28/15/56/855281556.db2.gz	SOPGJJMWSQYSST-UHFFFAOYSA-N	-1	0	259.265	0.211	20	30		CCEDRM
CC(=NNc1nnc(C)c(=O)[n-]1)c1csc(N)n1	ZINC001115821412	855698237	/nfs/dbraw/zinc/69/82/37/855698237.db2.gz	POVUDWOHBKLLNI-UHFFFAOYSA-N	-1	0	265.302	0.760	20	30		CCEDRM
CC(C)CO[N-]C(=O)C(=O)NCc1cccc(C#N)c1	ZINC001117013031	855893589	/nfs/dbraw/zinc/89/35/89/855893589.db2.gz	XNZAQYMEZABGGC-UHFFFAOYSA-N	-1	0	275.308	0.878	20	30		CCEDRM
CSc1nc(CNC(=O)[C@H](C)C#N)cc(=O)[nH]1	ZINC001119272664	856606814	/nfs/dbraw/zinc/60/68/14/856606814.db2.gz	XUGPERMFVVXNJK-ZCFIWIBFSA-N	-1	0	252.299	0.680	20	30		CCEDRM
C=CC[C@@H](NC(=O)c1cnc(N(C)C)cn1)C(=O)[O-]	ZINC001119581213	856755241	/nfs/dbraw/zinc/75/52/41/856755241.db2.gz	ZDXMTJOWISNCPV-MRVPVSSYSA-N	-1	0	264.285	0.302	20	30		CCEDRM
C=CC[C@@H](NC(=O)c1cc([C@@H]2CCCN2C)n[nH]1)C(=O)[O-]	ZINC001119644477	856805085	/nfs/dbraw/zinc/80/50/85/856805085.db2.gz	KQVNFIGHEVMVOR-SKDRFNHKSA-N	-1	0	292.339	0.936	20	30		CCEDRM
C=CCC1(S(=O)(=O)[N-]C(=O)C[C@H]2COC(=O)C2)CC1	ZINC001324192506	912713377	/nfs/dbraw/zinc/71/33/77/912713377.db2.gz	JYZYLJKAFCPUOI-SECBINFHSA-N	-1	0	287.337	0.494	20	30		CCEDRM
C=CCCOCC(=O)[N-]OC(C)(C)C(=O)OCC	ZINC001324806107	913045617	/nfs/dbraw/zinc/04/56/17/913045617.db2.gz	NPKLAQJJFWBXAS-UHFFFAOYSA-N	-1	0	259.302	0.969	20	30		CCEDRM
C#CCSCCNC(=O)C(=O)[N-]OCCC(F)(F)F	ZINC001324963378	913120394	/nfs/dbraw/zinc/12/03/94/913120394.db2.gz	LSWJGCZSXDEWIW-UHFFFAOYSA-N	-1	0	298.286	0.469	20	30		CCEDRM
CSCC[C@@H](O)C(=O)Nc1nc(C#N)c(C#N)[n-]1	ZINC001300045005	892048611	/nfs/dbraw/zinc/04/86/11/892048611.db2.gz	OMIZPAYPKQVXMF-MRVPVSSYSA-N	-1	0	265.298	0.206	20	30		CCEDRM
COC(=O)CC1CC(N=Nc2nnc(C)c(=O)[n-]2)C1	ZINC001325905175	913633040	/nfs/dbraw/zinc/63/30/40/913633040.db2.gz	XZZWICVEBRZNBT-UHFFFAOYSA-N	-1	0	265.273	0.627	20	30		CCEDRM
N#CC(C(=O)N1CCCC1)=C([O-])c1cnn(CCF)c1	ZINC001342611625	892776104	/nfs/dbraw/zinc/77/61/04/892776104.db2.gz	OJYJSRUMYHVXOQ-NSHDSACASA-N	-1	0	278.287	0.797	20	30		CCEDRM
Cc1c(S(=O)(=O)[N-]C(=O)CCCCC#N)cnn1C	ZINC001326794543	914178667	/nfs/dbraw/zinc/17/86/67/914178667.db2.gz	ZIGFOQMCUBRTHR-UHFFFAOYSA-N	-1	0	284.341	0.617	20	30		CCEDRM
COc1ncc([N-]S(=O)(=O)[C@@H](C)C#N)cc1F	ZINC001193106993	900031901	/nfs/dbraw/zinc/03/19/01/900031901.db2.gz	NEOSSPGXGIGJPY-LURJTMIESA-N	-1	0	259.262	0.883	20	30		CCEDRM
COC(=O)c1scnc1[N-]S(=O)(=O)[C@H](C)C#N	ZINC001193106922	900032033	/nfs/dbraw/zinc/03/20/33/900032033.db2.gz	LJPMBHIAAPTUBD-RXMQYKEDSA-N	-1	0	275.311	0.583	20	30		CCEDRM
C[C@@H](C#N)S(=O)(=O)[N-]c1ncccc1N(C)C	ZINC001193110832	900033809	/nfs/dbraw/zinc/03/38/09/900033809.db2.gz	CACCJOSMJNNZLF-QMMMGPOBSA-N	-1	0	254.315	0.801	20	30		CCEDRM
CCN(C)c1ncc([N-]S(=O)(=O)[C@H](C)C#N)cn1	ZINC001193110650	900034371	/nfs/dbraw/zinc/03/43/71/900034371.db2.gz	AGIRNUKFWIKTAD-MRVPVSSYSA-N	-1	0	269.330	0.586	20	30		CCEDRM
N#Cc1cc(F)cc(NC(=O)Cn2c(=O)[n-][nH]c2=O)c1	ZINC001412457644	901735981	/nfs/dbraw/zinc/73/59/81/901735981.db2.gz	UWWQVGPXLDXVRI-UHFFFAOYSA-N	-1	0	277.215	0.339	20	30		CCEDRM
C[C@@H]1CC[C@H](C(=O)NCCn2cc(C#N)c(=O)[n-]c2=O)C1	ZINC001413311948	902861562	/nfs/dbraw/zinc/86/15/62/902861562.db2.gz	RJLRAABGLBVQGT-ZJUUUORDSA-N	-1	0	290.323	0.373	20	30		CCEDRM
N#Cc1cc(C(=O)N2CCC[C@@H](Cc3nnn[n-]3)C2)co1	ZINC001413563152	903055144	/nfs/dbraw/zinc/05/51/44/903055144.db2.gz	RXMZQHAFKLPTEO-VIFPVBQESA-N	-1	0	286.295	0.759	20	30		CCEDRM
Cn1c(=O)[n-]c(SC2CCOCC2)c(C#N)c1=O	ZINC001337092465	921184036	/nfs/dbraw/zinc/18/40/36/921184036.db2.gz	ORNLGCIUHYFQMU-UHFFFAOYSA-N	-1	0	267.310	0.216	20	30		CCEDRM
C=C(C)C[C@H](C)C(=O)NCCNC(=O)c1[nH]nc(C)c1[O-]	ZINC001292642701	906312816	/nfs/dbraw/zinc/31/28/16/906312816.db2.gz	ADNQXIJGAWFZQV-VIFPVBQESA-N	-1	0	294.355	0.872	20	30		CCEDRM
C=C[C@H](C)O[N-]C(=O)CNC(=O)c1ccc(O)cc1	ZINC001306869016	908269921	/nfs/dbraw/zinc/26/99/21/908269921.db2.gz	RKVBLNWVMPGVOJ-VIFPVBQESA-N	-1	0	264.281	0.744	20	30		CCEDRM
C=C(C)C[C@H](NS(=O)(=O)c1ccc(C#N)o1)C(=O)OC	ZINC001309762928	908472729	/nfs/dbraw/zinc/47/27/29/908472729.db2.gz	VRBWJKCPWVJVNA-JTQLQIEISA-N	-1	0	298.320	0.937	20	30		CCEDRM
N#CCCCS(=O)(=O)[N-]C(=O)C[C@@H]1CCOC1	ZINC001320640519	910776087	/nfs/dbraw/zinc/77/60/87/910776087.db2.gz	RTYQVDSYMZWICQ-VIFPVBQESA-N	-1	0	260.315	0.163	20	30		CCEDRM
C=CC[C@@H](NC(=O)c1ccc(C(N)=O)s1)C(=O)[O-]	ZINC001322600849	911876665	/nfs/dbraw/zinc/87/66/65/911876665.db2.gz	JPEKFENGNNYMJB-ZCFIWIBFSA-N	-1	0	268.294	0.606	20	30		CCEDRM
N#Cc1c[n-]c(=O)n(CCOc2ccc(F)cc2)c1=O	ZINC001413926908	915063964	/nfs/dbraw/zinc/06/39/64/915063964.db2.gz	BKKAPBQZQWUOOU-UHFFFAOYSA-N	-1	0	275.239	0.626	20	30		CCEDRM
C=CC[C@@H](NC(=O)N[C@H](C)c1ccnn1C)C(=O)[O-]	ZINC001329686392	916125184	/nfs/dbraw/zinc/12/51/84/916125184.db2.gz	UWUFDQPVSKICQW-RKDXNWHRSA-N	-1	0	266.301	0.810	20	30		CCEDRM
C=CC[C@H](NC(=O)[C@@H](C)Cc1cnn(C)c1)C(=O)[O-]	ZINC001332136848	917896707	/nfs/dbraw/zinc/89/67/07/917896707.db2.gz	RMNRSQIMOHEMMW-ONGXEEELSA-N	-1	0	265.313	0.744	20	30		CCEDRM
Cc1[n-]n(CCS(C)(=O)=O)c(=O)c1CCC#N	ZINC001332222613	917967162	/nfs/dbraw/zinc/96/71/62/917967162.db2.gz	MDMBAPFXKMFNEV-SECBINFHSA-N	-1	0	257.315	0.169	20	30		CCEDRM
COCC[C@H](NS(=O)(=O)CCCCC#N)C(=O)[O-]	ZINC001332253897	917993792	/nfs/dbraw/zinc/99/37/92/917993792.db2.gz	APCRSFNNPJAEQB-VIFPVBQESA-N	-1	0	278.330	0.089	20	30		CCEDRM
C#CCN1CCN(C(=O)CC[C@@H]2C[C@H](C(=O)[O-])CO2)CC1	ZINC001332647086	918347120	/nfs/dbraw/zinc/34/71/20/918347120.db2.gz	PNRKLBRFCBIOFP-QWHCGFSZSA-N	-1	0	294.351	0.034	20	30		CCEDRM
C=C(C)C[C@@H](NC(=O)[C@H](C)N1CCN(C)CC1)C(=O)[O-]	ZINC001334204828	919424777	/nfs/dbraw/zinc/42/47/77/919424777.db2.gz	GHCXBVDKQINVES-NWDGAFQWSA-N	-1	0	283.372	0.158	20	30		CCEDRM
C=CCCn1cc(CN2CCC[C@@H]2C(=O)[O-])nn1	ZINC001334768770	919752764	/nfs/dbraw/zinc/75/27/64/919752764.db2.gz	RQMCESFNENZWSM-LLVKDONJSA-N	-1	0	250.302	0.903	20	30		CCEDRM
C=CC[C@H](NC(=O)COCc1ccnn1C)C(=O)[O-]	ZINC001335429315	920190262	/nfs/dbraw/zinc/19/02/62/920190262.db2.gz	ACVHEEGJPUEYJV-JTQLQIEISA-N	-1	0	267.285	0.082	20	30		CCEDRM
CCn1[n-]nnc1=NC(=O)N[C@@H]1CCc2cc(C#N)ccc21	ZINC001414445393	920326794	/nfs/dbraw/zinc/32/67/94/920326794.db2.gz	CHTOZLQEYYWASG-GFCCVEGCSA-N	-1	0	297.322	0.796	20	30		CCEDRM
CC(C)Cn1[n-]c(CC(=O)NC2(C#N)CC2)cc1=O	ZINC001336324394	920717962	/nfs/dbraw/zinc/71/79/62/920717962.db2.gz	CDTUCQUTKUBBLJ-UHFFFAOYSA-N	-1	0	262.313	0.547	20	30		CCEDRM
Cn1c(=O)[n-]c(NC[C@@H]2CC2(Cl)Cl)c(C#N)c1=O	ZINC001336444331	920777173	/nfs/dbraw/zinc/77/71/73/920777173.db2.gz	HYIFKRTWUBISQB-YFKPBYRVSA-N	-1	0	289.122	0.551	20	30		CCEDRM
C=C(C)C[C@H](CO)NC(=O)N[C@@H]1CC[C@H](C(=O)[O-])C1	ZINC001341257631	922401431	/nfs/dbraw/zinc/40/14/31/922401431.db2.gz	OMDCMITUMYBRGJ-HBNTYKKESA-N	-1	0	270.329	0.866	20	30		CCEDRM
Cn1cnc2c1nccc2C([O-])=C(C#N)C(=O)N1CCCC1	ZINC001341821347	922687286	/nfs/dbraw/zinc/68/72/86/922687286.db2.gz	PSGSWWVLNDYICP-NSHDSACASA-N	-1	0	297.318	0.913	20	30		CCEDRM
C=CCNC(=O)C(C#N)=C([O-])c1nn(C)c2c1CCCC2	ZINC001341948879	922733449	/nfs/dbraw/zinc/73/34/49/922733449.db2.gz	YUVHZGQIJYHYOY-NSHDSACASA-N	-1	0	286.335	0.924	20	30		CCEDRM
CNC(=O)C(C#N)=C([O-])c1ccc([C@@H]2CCC(=O)N2)cc1	ZINC001341953408	922736487	/nfs/dbraw/zinc/73/64/87/922736487.db2.gz	DQRCEBHTPNQROR-RYUDHWBXSA-N	-1	0	285.303	0.706	20	30		CCEDRM
C=CCn1c(-c2cc(=O)n(C)[n-]2)nnc1N(C)OC	ZINC001342180991	922850298	/nfs/dbraw/zinc/85/02/98/922850298.db2.gz	UHUSLXOACPNSJM-UHFFFAOYSA-N	-1	0	264.289	0.568	20	30		CCEDRM
CNC(=O)C(C#N)=C([O-])c1cn2c(cccc2C)n1	ZINC001342608784	923024097	/nfs/dbraw/zinc/02/40/97/923024097.db2.gz	YIJKYNSFPWLCCY-SECBINFHSA-N	-1	0	256.265	0.711	20	30		CCEDRM
COc1ccc(CC(=O)C(C#N)=C([O-])c2nccn2C)nc1	ZINC001342893065	923126581	/nfs/dbraw/zinc/12/65/81/923126581.db2.gz	BFDIUANCGKQIQE-LBPRGKRZSA-N	-1	0	298.302	0.958	20	30		CCEDRM
C#CC1CCN(C(=O)NCCOCCOCC(=O)[O-])CC1	ZINC001343130325	923210726	/nfs/dbraw/zinc/21/07/26/923210726.db2.gz	BBGUDSFITNFXOA-UHFFFAOYSA-N	-1	0	298.339	0.159	20	30		CCEDRM
COCCNC(=O)C(C#N)=C([O-])c1cnc2nccnc2c1	ZINC001343461417	923328048	/nfs/dbraw/zinc/32/80/48/923328048.db2.gz	AUWLOJACODARPT-SNVBAGLBSA-N	-1	0	299.290	0.110	20	30		CCEDRM
CNC(=O)C(C#N)=C([O-])c1ccc(CN2CCCC2=O)cc1	ZINC001344543948	923631161	/nfs/dbraw/zinc/63/11/61/923631161.db2.gz	SPBHVFWNINMACB-ZDUSSCGKSA-N	-1	0	299.330	0.877	20	30		CCEDRM
C#C[C@H](NC(=O)[C@H]1C[C@@H](C(=O)[O-])C1)[C@H]1CCCO1	ZINC001345144790	923806635	/nfs/dbraw/zinc/80/66/35/923806635.db2.gz	IUGYASXUZVKTIJ-ZRUFSTJUSA-N	-1	0	251.282	0.394	20	30		CCEDRM
Cn1c(=O)[n-]c(N2CC=C(c3ccccc3)C2)c(C#N)c1=O	ZINC001421089362	924145617	/nfs/dbraw/zinc/14/56/17/924145617.db2.gz	PBFPBCHYFOZVBR-UHFFFAOYSA-N	-1	0	294.314	0.849	20	30		CCEDRM
C=CC[C@@H](NC(=O)c1ccc2c(n1)OCCO2)C(=O)[O-]	ZINC001346539271	924256792	/nfs/dbraw/zinc/25/67/92/924256792.db2.gz	AWIGESNKIZJSQU-SECBINFHSA-N	-1	0	278.264	0.612	20	30		CCEDRM
C#Cc1ccc(C(=O)N2CCC[C@H](Cc3nnn[n-]3)C2)cn1	ZINC001347304733	924418626	/nfs/dbraw/zinc/41/86/26/924418626.db2.gz	FKAARAPYKNFQPE-LLVKDONJSA-N	-1	0	296.334	0.671	20	30		CCEDRM
C#Cc1ccc(C(=O)N2CC[C@H](c3nnn[n-]3)C2)cc1	ZINC001347976410	924570184	/nfs/dbraw/zinc/57/01/84/924570184.db2.gz	YVPKVZGTCCRVTD-LBPRGKRZSA-N	-1	0	267.292	0.811	20	30		CCEDRM
C[C@H]1O[C@@H](C)[C@@H](C)[C@@H]1C(=O)[N-]S(=O)(=O)CCCC#N	ZINC001348272689	924634007	/nfs/dbraw/zinc/63/40/07/924634007.db2.gz	XCEYTNMUQIDULV-YTWAJWBKSA-N	-1	0	288.369	0.796	20	30		CCEDRM
C=CC[C@H](NC(=O)[C@H]1CCc2cnc(C)n2C1)C(=O)[O-]	ZINC001348489821	924704957	/nfs/dbraw/zinc/70/49/57/924704957.db2.gz	DMZKJSHDLPYZED-JQWIXIFHSA-N	-1	0	277.324	0.899	20	30		CCEDRM
C=C[C@H](C)O[N-]C(=O)Cn1ccc(=O)c([N+](=O)[O-])c1	ZINC001349644772	925011155	/nfs/dbraw/zinc/01/11/55/925011155.db2.gz	QTDWKIFIOJXEGV-QMMMGPOBSA-N	-1	0	267.241	0.379	20	30		CCEDRM
C=CCCO[C@H](C)C(=O)NC[C@H](C(=O)[O-])[C@@H]1CCOC1	ZINC001349983991	925110055	/nfs/dbraw/zinc/11/00/55/925110055.db2.gz	AWOUVDMDPHXYLJ-UTUOFQBUSA-N	-1	0	285.340	0.821	20	30		CCEDRM
C=CC[C@@H](NC(=O)c1cn(C(C)(C)C)nn1)C(=O)[O-]	ZINC001350767774	925272724	/nfs/dbraw/zinc/27/27/24/925272724.db2.gz	GQURQEJCBBSFCZ-MRVPVSSYSA-N	-1	0	266.301	0.792	20	30		CCEDRM
C=CCn1c(Cc2nn[nH]n2)nnc1N(C)[C@H](C)C1CC1	ZINC001351668747	925452932	/nfs/dbraw/zinc/45/29/32/925452932.db2.gz	ITUWVQLHIASUIS-SECBINFHSA-N	-1	0	288.359	0.803	20	30		CCEDRM
C=CC[C@H](NC(=O)[C@@H]1CCn2ccnc2C1)C(=O)[O-]	ZINC001354046438	925995881	/nfs/dbraw/zinc/99/58/81/925995881.db2.gz	BJTFMENLQFUQPX-ZJUUUORDSA-N	-1	0	263.297	0.591	20	30		CCEDRM
CNC(=O)C(C#N)=C([O-])c1c(C)nn2cccnc12	ZINC001356003131	926333167	/nfs/dbraw/zinc/33/31/67/926333167.db2.gz	HHXDWJNRLVFORB-MRVPVSSYSA-N	-1	0	257.253	0.106	20	30		CCEDRM
C=CCn1c(-c2cc(=O)[nH][n-]2)nnc1N1CC[C@@H](CF)C1	ZINC001356038648	926337566	/nfs/dbraw/zinc/33/75/66/926337566.db2.gz	SUBQENPAQWRTAS-VIFPVBQESA-N	-1	0	292.318	0.484	20	30		CCEDRM
Cn1cnc(C([O-])=C(C#N)c2nc(N)c3ccccc3n2)n1	ZINC001356086853	926341439	/nfs/dbraw/zinc/34/14/39/926341439.db2.gz	HNAMAJRTMWDUPB-VIFPVBQESA-N	-1	0	293.290	0.831	20	30		CCEDRM
CCn1nncc1C([O-])=C(C#N)C(=O)N1CCCC1	ZINC001356089287	926342665	/nfs/dbraw/zinc/34/26/65/926342665.db2.gz	ZOCIXWYPJMAQCU-VIFPVBQESA-N	-1	0	261.285	0.243	20	30		CCEDRM
C=CC[C@@H](NC(=O)c1ccc(OC)nc1)C(=O)[O-]	ZINC000150313534	926950703	/nfs/dbraw/zinc/95/07/03/926950703.db2.gz	BZZJZYVDAZPBIC-SECBINFHSA-N	-1	0	250.254	0.849	20	30		CCEDRM
C=CC[C@H](NC(=O)c1cnn(C)c1-n1cccc1)C(=O)[O-]	ZINC000150302261	926951021	/nfs/dbraw/zinc/95/10/21/926951021.db2.gz	FIQQUHIAQJBLJV-NSHDSACASA-N	-1	0	288.307	0.970	20	30		CCEDRM
Cc1occc1CNC(=O)Cn1cc(C#N)c(=O)[n-]c1=O	ZINC001361703297	927261155	/nfs/dbraw/zinc/26/11/55/927261155.db2.gz	UYBCUSZMWXGCTL-UHFFFAOYSA-N	-1	0	288.263	0.038	20	30		CCEDRM
CC1CC(NC(=O)CCn2cc(C#N)c(=O)[n-]c2=O)C1	ZINC001362059217	927571481	/nfs/dbraw/zinc/57/14/81/927571481.db2.gz	OWHOAMLZOIHDEW-UHFFFAOYSA-N	-1	0	276.296	0.125	20	30		CCEDRM
C[C@H](C#N)CNC(=O)c1nc[n-]c(=O)c1Br	ZINC001362158898	927620841	/nfs/dbraw/zinc/62/08/41/927620841.db2.gz	HPOCRNNJQAQFIY-RXMQYKEDSA-N	-1	0	285.101	0.834	20	30		CCEDRM
N#CCc1ccnc(NC(=O)CCCc2nnn[n-]2)c1	ZINC001362109295	927622184	/nfs/dbraw/zinc/62/21/84/927622184.db2.gz	RWGCYKYOWANZGH-UHFFFAOYSA-N	-1	0	271.284	0.622	20	30		CCEDRM
N#CCCn1ccc(NC(=O)CCCc2nnn[n-]2)n1	ZINC001362256754	927787188	/nfs/dbraw/zinc/78/71/88/927787188.db2.gz	QWEUEZRDCJWHJL-UHFFFAOYSA-N	-1	0	274.288	0.271	20	30		CCEDRM
Cc1cc(C#N)c(=O)[n-]c1C(=O)N1CCSC[C@@H]1CO	ZINC001362271627	927805175	/nfs/dbraw/zinc/80/51/75/927805175.db2.gz	WGSMJULHVGOPFK-JTQLQIEISA-N	-1	0	293.348	0.517	20	30		CCEDRM
Cc1cc(C#N)c(=O)[n-]c1C(=O)NCc1nccc(N)n1	ZINC001362368523	927932033	/nfs/dbraw/zinc/93/20/33/927932033.db2.gz	DQDDOASKZJVOOU-UHFFFAOYSA-N	-1	0	284.279	0.270	20	30		CCEDRM
CCc1cc(CNS(=O)(=O)c2ccc(C#N)cn2)on1	ZINC001423723405	927964452	/nfs/dbraw/zinc/96/44/52/927964452.db2.gz	WMFUZKYWYRCUQD-UHFFFAOYSA-N	-1	0	292.320	0.982	20	30		CCEDRM
N#C[C@]1(C(=O)NCCc2nc(=O)o[n-]2)CC2CCC1CC2	ZINC001362403552	927973770	/nfs/dbraw/zinc/97/37/70/927973770.db2.gz	VTXNCKIOSZTMJY-RPFQZYLTSA-N	-1	0	290.323	0.742	20	30		CCEDRM
CC[C@@H](CSC)NC(=O)Cn1cc(C#N)c(=O)[n-]c1=O	ZINC001362426626	928004687	/nfs/dbraw/zinc/00/46/87/928004687.db2.gz	SGZQKSQVGFPAEX-VIFPVBQESA-N	-1	0	296.352	0.078	20	30		CCEDRM
Cc1cc(C#N)c(=O)[n-]c1C(=O)N(C)c1nccn1C	ZINC001362484818	928080393	/nfs/dbraw/zinc/08/03/93/928080393.db2.gz	VSNRABKWVZRGRA-UHFFFAOYSA-N	-1	0	271.280	0.977	20	30		CCEDRM
N#Cc1ccc(C(=O)N2CCC(CO)(CO)CC2)cc1O	ZINC001362862306	928585097	/nfs/dbraw/zinc/58/50/97/928585097.db2.gz	ASAFZIQMURHDGG-UHFFFAOYSA-N	-1	0	290.319	0.471	20	30		CCEDRM
CN(Cc1nc(=O)o[n-]1)C(=O)c1c(F)cc(C#N)cc1F	ZINC001362948708	928685376	/nfs/dbraw/zinc/68/53/76/928685376.db2.gz	QBSRFAYOBOXACV-UHFFFAOYSA-N	-1	0	294.217	0.785	20	30		CCEDRM
N#Cc1ccc2c(c1)CN(C(=O)c1n[nH]c(=O)[n-]c1=O)C2	ZINC001362952903	928693114	/nfs/dbraw/zinc/69/31/14/928693114.db2.gz	BQFNPDMKCIDBGX-UHFFFAOYSA-N	-1	0	283.247	0.310	20	30		CCEDRM
Cc1cc(C#N)c(=O)[n-]c1C(=O)N(C)Cc1nncn1C	ZINC001362964994	928706045	/nfs/dbraw/zinc/70/60/45/928706045.db2.gz	YIKUMCVPQKFRTE-UHFFFAOYSA-N	-1	0	286.295	0.368	20	30		CCEDRM
Cc1oc(C#N)cc1C(=O)N1CCOC[C@H]1c1nnn[n-]1	ZINC001363117282	928888054	/nfs/dbraw/zinc/88/80/54/928888054.db2.gz	VISZKOVBTXNUGU-JTQLQIEISA-N	-1	0	288.267	0.187	20	30		CCEDRM
N#Cc1c[n-]n2c1nc(CN1CC[C@@]13CCOC3)cc2=O	ZINC001363261693	929042911	/nfs/dbraw/zinc/04/29/11/929042911.db2.gz	HIXPFTAMOVTEJD-AWEZNQCLSA-N	-1	0	285.307	0.671	20	30		CCEDRM
C[C@@H](NC(=O)c1cc(C#N)ccn1)c1nn(C)cc1[O-]	ZINC001363668513	929469149	/nfs/dbraw/zinc/46/91/49/929469149.db2.gz	UFENANCEOHGCMH-MRVPVSSYSA-N	-1	0	271.280	0.883	20	30		CCEDRM
CC(C)(C)[C@H](C#N)NC(=O)CCCn1c(=O)[n-][nH]c1=O	ZINC001449084736	931064305	/nfs/dbraw/zinc/06/43/05/931064305.db2.gz	QGXOURKRSQVENE-QMMMGPOBSA-N	-1	0	281.316	0.524	20	30		CCEDRM
Cc1n[nH]c(C(=O)NC[C@H](C)N(C)C(=O)[C@@H](C)C#N)c1[O-]	ZINC001449874679	931202778	/nfs/dbraw/zinc/20/27/78/931202778.db2.gz	VNIYYUFUVFLFSC-YUMQZZPRSA-N	-1	0	293.327	0.160	20	30		CCEDRM
CS(=O)(=O)CC1CCC(=NNCCC(=O)[O-])CC1	ZINC001611078421	970883119	/nfs/dbraw/zinc/88/31/19/970883119.db2.gz	PPHKMNGEZPIGSD-UHFFFAOYSA-N	-1	0	276.358	0.642	20	30		CCEDRM
C#CC1CCN(C(=O)C(=O)N2CCC[C@H](C(=O)[O-])C2)CC1	ZINC001602675348	971247560	/nfs/dbraw/zinc/24/75/60/971247560.db2.gz	RMARUKYMQNGGLS-LBPRGKRZSA-N	-1	0	292.335	0.181	20	30		CCEDRM
C#CC[C@H](CCOC)NC(=O)[C@@H]1CO[C@H](CCC(=O)[O-])C1	ZINC001602675547	971250487	/nfs/dbraw/zinc/25/04/87/971250487.db2.gz	ZDDCJYCBUQLUSA-YNEHKIRRSA-N	-1	0	297.351	0.801	20	30		CCEDRM
C#CCN(CC(=O)[O-])C(=O)[C@](C)(O)CCc1ccccc1	ZINC001602679320	971259051	/nfs/dbraw/zinc/25/90/51/971259051.db2.gz	NUTHHYLHUYOSNO-MRXNPFEDSA-N	-1	0	289.331	0.917	20	30		CCEDRM
C#CCN(CC(=O)[O-])C(=O)[C@@H]1CCOC2(CCC2)C1	ZINC001602682243	971267045	/nfs/dbraw/zinc/26/70/45/971267045.db2.gz	KAWACSCIFAGFSR-LLVKDONJSA-N	-1	0	265.309	0.882	20	30		CCEDRM
C#CCN(CC(=O)[O-])C(=O)c1ccc2nc[nH]c2n1	ZINC001602692044	971299684	/nfs/dbraw/zinc/29/96/84/971299684.db2.gz	CDMSSFMCVRSOOG-UHFFFAOYSA-N	-1	0	258.237	0.118	20	30		CCEDRM
C#CCN(CC(=O)[O-])C(=O)c1ccc2c(c1)COC(=O)N2	ZINC001602692244	971301134	/nfs/dbraw/zinc/30/11/34/971301134.db2.gz	HOCYPBGAGJQYDY-UHFFFAOYSA-N	-1	0	288.259	0.909	20	30		CCEDRM
C#CCN(CC(=O)[O-])c1nnnn1CC(C)(C)SC	ZINC001602700752	971321776	/nfs/dbraw/zinc/32/17/76/971321776.db2.gz	HRUKUWQNPCZFAT-UHFFFAOYSA-N	-1	0	283.357	0.339	20	30		CCEDRM
C=C(C)Cn1c(CO)nnc1N1CC[C@@H](C(=O)[O-])[C@@H](C)C1	ZINC001602711925	971352329	/nfs/dbraw/zinc/35/23/29/971352329.db2.gz	BEVPPEINAHLAPM-WDEREUQCSA-N	-1	0	294.355	0.894	20	30		CCEDRM
C=C(CCC(=O)OC)C(=O)N(CC(=O)[O-])C1CCC1	ZINC001602712616	971357206	/nfs/dbraw/zinc/35/72/06/971357206.db2.gz	UVFDZGMPIKDXPB-UHFFFAOYSA-N	-1	0	269.297	0.962	20	30		CCEDRM
C=CCC[C@H](CO)NC(=O)[C@H]1CO[C@H](CCC(=O)[O-])C1	ZINC001602719260	971383683	/nfs/dbraw/zinc/38/36/83/971383683.db2.gz	ZNQDDRJRKLRUOQ-IJLUTSLNSA-N	-1	0	285.340	0.700	20	30		CCEDRM
C=CCN1CC(=O)N([C@H]2CC[C@@H](C(=O)[O-])C2)C1=O	ZINC001602722618	971386767	/nfs/dbraw/zinc/38/67/67/971386767.db2.gz	BZSFUFDJRHZYIS-BDAKNGLRSA-N	-1	0	252.270	0.690	20	30		CCEDRM
C=CCO[C@H]1CCN(C(=O)C2(C(=O)[O-])CCOCC2)C1	ZINC001602723000	971391881	/nfs/dbraw/zinc/39/18/81/971391881.db2.gz	GXRZCKIGAUEJEK-NSHDSACASA-N	-1	0	283.324	0.671	20	30		CCEDRM
CC(=O)Nc1ccc(NC(=O)[C@](C)(C#N)CC(=O)[O-])nc1	ZINC001602765375	971491483	/nfs/dbraw/zinc/49/14/83/971491483.db2.gz	POMHJZVGDSYNGO-ZDUSSCGKSA-N	-1	0	290.279	0.983	20	30		CCEDRM
C[C@@](C#N)(CC(=O)[O-])C(=O)NCC(O)(C1CC1)C1CC1	ZINC001602780535	971519150	/nfs/dbraw/zinc/51/91/50/971519150.db2.gz	IMASMYLQCVZMKW-ZDUSSCGKSA-N	-1	0	280.324	0.658	20	30		CCEDRM
C[C@@](C#N)(CC(=O)[O-])C(=O)NCC1(CCO)CC1	ZINC001602781003	971521742	/nfs/dbraw/zinc/52/17/42/971521742.db2.gz	PXBGBRUHELIWPB-NSHDSACASA-N	-1	0	254.286	0.270	20	30		CCEDRM
C[C@@](C#N)(CC(=O)[O-])C(=O)Nc1nc2cnccn2n1	ZINC001602782605	971529328	/nfs/dbraw/zinc/52/93/28/971529328.db2.gz	WKQVKTPBFUMCLK-NSHDSACASA-N	-1	0	274.240	0.067	20	30		CCEDRM
C#CCN(CC(=O)[O-])C(=O)[C@@H]1COc2ccccc2O1	ZINC000092476579	949144073	/nfs/dbraw/zinc/14/40/73/949144073.db2.gz	YEEXOWAVZCQMFS-LBPRGKRZSA-N	-1	0	275.260	0.373	20	30		CCEDRM
C#CCN(CCC(=O)Nc1ccc(C#N)cc1)CC(=O)[O-]	ZINC000092481999	949155241	/nfs/dbraw/zinc/15/52/41/949155241.db2.gz	MYNXTNGMKYYMLX-UHFFFAOYSA-N	-1	0	285.303	0.907	20	30		CCEDRM
C#CCN(CC(=O)[O-])C(=O)NCc1cnccc1C	ZINC000163140840	949396306	/nfs/dbraw/zinc/39/63/06/949396306.db2.gz	JWHZBHIKRQETMC-UHFFFAOYSA-N	-1	0	261.281	0.619	20	30		CCEDRM
CC[C@@H]1COCCN1CCNC(=O)[C@@](C)(C#N)CC(=O)[O-]	ZINC001589626750	949488250	/nfs/dbraw/zinc/48/82/50/949488250.db2.gz	QADVKXKHAYWMCJ-BXUZGUMPSA-N	-1	0	297.355	0.218	20	30		CCEDRM
C=CCSCCNC(=O)c1cn(CC(=O)[O-])nn1	ZINC000231965137	949760237	/nfs/dbraw/zinc/76/02/37/949760237.db2.gz	VDLQDVOHAWYEAG-UHFFFAOYSA-N	-1	0	270.314	0.012	20	30		CCEDRM
CCN(C[C@H](C)OC)C(=O)[C@@](C)(C#N)CC(=O)[O-]	ZINC001589719690	950406229	/nfs/dbraw/zinc/40/62/29/950406229.db2.gz	GTZYKHBLNWLIRG-JOYOIKCWSA-N	-1	0	256.302	0.874	20	30		CCEDRM
COC[C@]1(C(=O)[O-])CCN(C(=O)C#Cc2ccccc2)C1	ZINC000386914554	951306743	/nfs/dbraw/zinc/30/67/43/951306743.db2.gz	HWZIDUNIVVBMDM-INIZCTEOSA-N	-1	0	287.315	0.988	20	30		CCEDRM
C[C@H]1CCC(=O)CN1C(=O)[C@](C)(C#N)CC(=O)[O-]	ZINC001589300487	953689566	/nfs/dbraw/zinc/68/95/66/953689566.db2.gz	WNHWWTBJTKAZRC-UFBFGSQYSA-N	-1	0	252.270	0.571	20	30		CCEDRM
CC(C)[C@@H](C(=O)[O-])C(=O)NCC1(C#N)CCOCC1	ZINC001602966482	971960756	/nfs/dbraw/zinc/96/07/56/971960756.db2.gz	YQLFIIDQFAXLGK-SNVBAGLBSA-N	-1	0	268.313	0.780	20	30		CCEDRM
CN(C)C(=O)c1cccc(C=NNCCC(=O)[O-])c1	ZINC001593689376	954017029	/nfs/dbraw/zinc/01/70/29/954017029.db2.gz	YRAOEPQWAPINAS-UHFFFAOYSA-N	-1	0	263.297	0.787	20	30		CCEDRM
CC(C)[C@@H](CNC(=O)Cc1ccc(C#N)nc1)C(=O)[O-]	ZINC001602978722	971997828	/nfs/dbraw/zinc/99/78/28/971997828.db2.gz	ORVIPMOMAUDHLH-GFCCVEGCSA-N	-1	0	275.308	0.969	20	30		CCEDRM
CC[C@H](C#N)OC(=O)[C@@H]1CCCN(CC(=O)[O-])C1=O	ZINC001589426981	954636669	/nfs/dbraw/zinc/63/66/69/954636669.db2.gz	VRCRGIXTCKMAJV-RKDXNWHRSA-N	-1	0	268.269	0.155	20	30		CCEDRM
COC(=O)C1(C)CN(C(=O)[C@](C)(C#N)CC(=O)[O-])C1	ZINC001593814165	954982645	/nfs/dbraw/zinc/98/26/45/954982645.db2.gz	YVLVVQJXZWYFAO-NSHDSACASA-N	-1	0	268.269	0.012	20	30		CCEDRM
COC(=O)CCN(CC#N)C(=O)[C@H](C(=O)[O-])C1CCCC1	ZINC001593836161	955314253	/nfs/dbraw/zinc/31/42/53/955314253.db2.gz	SLPKNCDOJAQMTM-GFCCVEGCSA-N	-1	0	296.323	0.793	20	30		CCEDRM
COC(=O)CC[C@H](NC(=O)c1cc(C#N)cs1)C(=O)[O-]	ZINC001593844120	955390469	/nfs/dbraw/zinc/39/04/69/955390469.db2.gz	NPNBPJLACUBBSM-QMMMGPOBSA-N	-1	0	296.304	0.756	20	30		CCEDRM
Cn1nc(C(=O)[O-])cc1C(=O)N1CCSC[C@@H]1C#N	ZINC001594563599	955816782	/nfs/dbraw/zinc/81/67/82/955816782.db2.gz	HOCCXMOQPYRZAH-ZETCQYMHSA-N	-1	0	280.309	0.199	20	30		CCEDRM
CO[C@@H](C(=O)[O-])C(=O)NCCC#C[Si](C)(C)C	ZINC001593907657	955943161	/nfs/dbraw/zinc/94/31/61/955943161.db2.gz	LMLVTVGSGCSZNM-SECBINFHSA-N	-1	0	257.362	0.473	20	30		CCEDRM
CO[C@H](C(=O)[O-])C(=O)NCc1ccc(C#N)c(Cl)c1	ZINC001593908689	955954143	/nfs/dbraw/zinc/95/41/43/955954143.db2.gz	KRVTZSNJUCJXDK-JTQLQIEISA-N	-1	0	282.683	0.927	20	30		CCEDRM
Cn1ncc(C(=O)[O-])c1CN1CCO[C@@](C)(C#N)C1	ZINC001594580850	955966803	/nfs/dbraw/zinc/96/68/03/955966803.db2.gz	GSBXPAOLICMRMR-LBPRGKRZSA-N	-1	0	264.285	0.233	20	30		CCEDRM
CO[C@@H](C(=O)[O-])C(=O)N[C@]1(C#N)CCc2ccccc2C1	ZINC001593920581	956071386	/nfs/dbraw/zinc/07/13/86/956071386.db2.gz	MSJRJEOFEFYCCF-IUODEOHRSA-N	-1	0	288.303	0.653	20	30		CCEDRM
CO[C@@](C)(C(=O)[O-])C(=O)N[C@H](CC#N)C(F)(F)F	ZINC001593925073	956110255	/nfs/dbraw/zinc/11/02/55/956110255.db2.gz	JSGIIFVFZLHIKV-SVGQVSJJSA-N	-1	0	268.191	0.437	20	30		CCEDRM
N#CC1(COC(=O)[C@H](C(=O)[O-])C2CCCC2)COC1	ZINC001594603582	956155712	/nfs/dbraw/zinc/15/57/12/956155712.db2.gz	FWGPYIUSYCWSBO-JTQLQIEISA-N	-1	0	267.281	0.961	20	30		CCEDRM
N#CC1(CNC(=O)N2CCO[C@H](C(=O)[O-])C2)CCCC1	ZINC001594603611	956157359	/nfs/dbraw/zinc/15/73/59/956157359.db2.gz	GWFWCGVCIPFZKE-JTQLQIEISA-N	-1	0	281.312	0.565	20	30		CCEDRM
N#C[C@H]1CCCN(CN2C[C@H](C(=O)[O-])CC2=O)C1	ZINC001594605508	956168166	/nfs/dbraw/zinc/16/81/66/956168166.db2.gz	FZLKDVOCDUIQLO-NXEZZACHSA-N	-1	0	251.286	0.113	20	30		CCEDRM
N#CCCCC(=O)N1C[C@H]2COC[C@@]2(C(=O)[O-])C1	ZINC001594606428	956182087	/nfs/dbraw/zinc/18/20/87/956182087.db2.gz	UFTHBWRJFSVTNS-CABZTGNLSA-N	-1	0	252.270	0.240	20	30		CCEDRM
N#CCc1ccccc1CC(=O)N[C@]1(C(=O)[O-])CCOC1	ZINC001594611315	956214109	/nfs/dbraw/zinc/21/41/09/956214109.db2.gz	RMFDPAHEHDLSNJ-OAHLLOKOSA-N	-1	0	288.303	0.655	20	30		CCEDRM
N#Cc1cc(CS(=O)(=O)NCC(=O)[O-])cs1	ZINC001594617138	956246632	/nfs/dbraw/zinc/24/66/32/956246632.db2.gz	ZLJNTHWUNKPVEW-UHFFFAOYSA-N	-1	0	260.296	0.124	20	30		CCEDRM
N#Cc1ccc(NC(=O)COC(=O)COCC(=O)[O-])cc1	ZINC001594622750	956292964	/nfs/dbraw/zinc/29/29/64/956292964.db2.gz	KLGQVNMGFVDWCA-UHFFFAOYSA-N	-1	0	292.247	0.141	20	30		CCEDRM
N#Cc1ccc2c(c1)C[C@H](NC(=O)c1cc(C(=O)[O-])n[nH]1)C2	ZINC001594627162	956321939	/nfs/dbraw/zinc/32/19/39/956321939.db2.gz	MWUWYVSJBIQZBA-LLVKDONJSA-N	-1	0	296.286	0.877	20	30		CCEDRM
N#Cc1ccc(SCCS(=O)(=O)CC(=O)[O-])nc1	ZINC001594627794	956325190	/nfs/dbraw/zinc/32/51/90/956325190.db2.gz	VXFKDQOGMSNTTP-UHFFFAOYSA-N	-1	0	286.334	0.545	20	30		CCEDRM
N#Cc1cnc(COC(=O)C2(C(=O)[O-])CC=CC2)nc1	ZINC001594633886	956359788	/nfs/dbraw/zinc/35/97/88/956359788.db2.gz	YQWBUNOGNJEDHD-UHFFFAOYSA-N	-1	0	273.248	0.812	20	30		CCEDRM
N#Cc1csc(CNC(=O)N2CC[C@H](C(=O)[O-])C2)n1	ZINC001594634347	956361929	/nfs/dbraw/zinc/36/19/29/956361929.db2.gz	ILAWMQRTARXRAD-ZETCQYMHSA-N	-1	0	280.309	0.631	20	30		CCEDRM
CC1(C#N)CN(C(=O)C2(C(=O)[O-])CCSCC2)C1	ZINC001589181394	956523328	/nfs/dbraw/zinc/52/33/28/956523328.db2.gz	HFQSLJVVHXBCCK-UHFFFAOYSA-N	-1	0	268.338	0.956	20	30		CCEDRM
C[C@@]1(C#N)CCN(CN2C[C@H](C(=O)[O-])CC2=O)C1	ZINC001589182274	956535610	/nfs/dbraw/zinc/53/56/10/956535610.db2.gz	XFRDVLVKLJLGNN-SKDRFNHKSA-N	-1	0	251.286	0.113	20	30		CCEDRM
C[C@@]1(C#N)CN(C(=O)[C@@H](C(=O)[O-])C2CC2)CCO1	ZINC001589182290	956535703	/nfs/dbraw/zinc/53/57/03/956535703.db2.gz	YBTZYRGIIREFQB-JOYOIKCWSA-N	-1	0	252.270	0.238	20	30		CCEDRM
N#CCN(CC#N)S(=O)(=O)c1ccc(C(=O)[O-])cc1	ZINC000019410731	957108939	/nfs/dbraw/zinc/10/89/39/957108939.db2.gz	UJBUYRGWLFTPCI-UHFFFAOYSA-N	-1	0	279.277	0.423	20	30		CCEDRM
N#Cc1cccc(C(=O)N[C@H](Cc2c[nH]cn2)C(=O)[O-])c1	ZINC000019400319	957108999	/nfs/dbraw/zinc/10/89/99/957108999.db2.gz	NRDIKMOZXWCIPE-GFCCVEGCSA-N	-1	0	284.275	0.707	20	30		CCEDRM
N#Cc1cc(NC(=O)NCC(=O)NCC(=O)[O-])ccc1F	ZINC000051638620	957506794	/nfs/dbraw/zinc/50/67/94/957506794.db2.gz	LGHVDEXIGLRZDT-UHFFFAOYSA-N	-1	0	294.242	0.020	20	30		CCEDRM
C#C[C@@H](NC(=O)N1C[C@H]2COC[C@@]2(C(=O)[O-])C1)C(C)C	ZINC001588386333	957976484	/nfs/dbraw/zinc/97/64/84/957976484.db2.gz	OQAWOYDCPPKMSU-WDMOLILDSA-N	-1	0	280.324	0.387	20	30		CCEDRM
C#CCC(C)(C)C(=O)N(CCOC)CCC(=O)[O-]	ZINC001588388749	957999479	/nfs/dbraw/zinc/99/94/79/957999479.db2.gz	FSGIBXUNEKWDPC-UHFFFAOYSA-N	-1	0	255.314	0.986	20	30		CCEDRM
C#CC[C@@H](COC)NC(=O)c1cccc(OCC(=O)[O-])c1	ZINC001588389077	958004721	/nfs/dbraw/zinc/00/47/21/958004721.db2.gz	LXASDEIFKUJCHL-LBPRGKRZSA-N	-1	0	291.303	0.918	20	30		CCEDRM
C#CCCN(CCOC)C(=O)[C@H]1CO[C@H](CCC(=O)[O-])C1	ZINC001588390781	958013258	/nfs/dbraw/zinc/01/32/58/958013258.db2.gz	IGWNOZVLEDAXSZ-CHWSQXEVSA-N	-1	0	297.351	0.755	20	30		CCEDRM
C#CCN(C(=O)[C@H]1CO[C@@H](CCC(=O)[O-])C1)C1CSC1	ZINC001588395659	958043854	/nfs/dbraw/zinc/04/38/54/958043854.db2.gz	KBMQFMAIRRFKBS-PWSUYJOCSA-N	-1	0	297.376	0.834	20	30		CCEDRM
C#CCN(CC(=O)[O-])C(=O)CO[C@H](C)c1nccn1C	ZINC001588406744	958096966	/nfs/dbraw/zinc/09/69/66/958096966.db2.gz	DKWWFIZMXGWSPF-SNVBAGLBSA-N	-1	0	279.296	0.044	20	30		CCEDRM
C#CCN(CC(=O)[O-])C(=O)NCC[C@H]1CCO[C@H](C)C1	ZINC001588408691	958116449	/nfs/dbraw/zinc/11/64/49/958116449.db2.gz	ZDSSAYGTEDGNSB-NEPJUHHUSA-N	-1	0	282.340	0.921	20	30		CCEDRM
C#CCN(CC(=O)[O-])C(=O)N[C@@H]1CCCO[C@H]1C=C	ZINC001588408794	958118070	/nfs/dbraw/zinc/11/80/70/958118070.db2.gz	FLTNQJXFMSPARN-MNOVXSKESA-N	-1	0	266.297	0.449	20	30		CCEDRM
C#CCN(CC(=O)[O-])C(=O)NC[C@H](C)CCOC	ZINC001588409159	958124104	/nfs/dbraw/zinc/12/41/04/958124104.db2.gz	COBYVBXUHPXNLE-SNVBAGLBSA-N	-1	0	256.302	0.388	20	30		CCEDRM
C#CCN(CC(=O)[O-])C(=O)Nc1cc(N(C)C)ncn1	ZINC001588411022	958145038	/nfs/dbraw/zinc/14/50/38/958145038.db2.gz	FNSAENNVVKLOJF-UHFFFAOYSA-N	-1	0	277.284	0.094	20	30		CCEDRM
C#CCN(CC(=O)[O-])C(=O)Nc1ccn(CCOC)n1	ZINC001588413135	958156732	/nfs/dbraw/zinc/15/67/32/958156732.db2.gz	RXRJOHREYFFTBB-UHFFFAOYSA-N	-1	0	280.284	0.081	20	30		CCEDRM
C#CCN(CC(=O)[O-])C(=O)Nc1cnc(C2CC2)nc1	ZINC001588413302	958157818	/nfs/dbraw/zinc/15/78/18/958157818.db2.gz	YLJSTPIHWMNQOO-UHFFFAOYSA-N	-1	0	274.280	0.906	20	30		CCEDRM
N#CCc1ccc(S(=O)(=O)N2CC[C@@H](C(=O)[O-])C2)cc1	ZINC000092130852	958160386	/nfs/dbraw/zinc/16/03/86/958160386.db2.gz	BYRUIBMFHUNWMW-LLVKDONJSA-N	-1	0	294.332	0.848	20	30		CCEDRM
C#CCN(CC(=O)[O-])C(=O)c1c(C)nn(CC(F)F)c1C	ZINC001588417442	958172547	/nfs/dbraw/zinc/17/25/47/958172547.db2.gz	ORRFADQTJPHWBE-UHFFFAOYSA-N	-1	0	299.277	0.925	20	30		CCEDRM
C#CCN(CC(=O)[O-])C(=O)c1c(C)[nH]nc1C(F)(F)F	ZINC001588417398	958173143	/nfs/dbraw/zinc/17/31/43/958173143.db2.gz	MBNRBJMAFPSWRD-UHFFFAOYSA-N	-1	0	289.213	0.897	20	30		CCEDRM
N#Cc1ccc(CN2CC(n3cc(C(=O)[O-])nn3)C2)cc1	ZINC000092697970	958174883	/nfs/dbraw/zinc/17/48/83/958174883.db2.gz	YHFCRLKDEIVKMJ-UHFFFAOYSA-N	-1	0	283.291	0.905	20	30		CCEDRM
C#CCN(CC(=O)[O-])C(=S)NCc1cc(C)on1	ZINC001588420117	958199501	/nfs/dbraw/zinc/19/95/01/958199501.db2.gz	MNDMKYOJKNVUPD-UHFFFAOYSA-N	-1	0	267.310	0.377	20	30		CCEDRM
C#CCN(CC(=O)[O-])C[C@@H](O)CC[C@H](O)c1ccccc1	ZINC001588424135	958210230	/nfs/dbraw/zinc/21/02/30/958210230.db2.gz	JZHGIVNGGVOYTF-GJZGRUSLSA-N	-1	0	291.347	0.881	20	30		CCEDRM
C#CCN(CC(=O)[O-])c1nnnn1[C@@H]1C[C@@H](C)O[C@@H](C)C1	ZINC001588427034	958238568	/nfs/dbraw/zinc/23/85/68/958238568.db2.gz	KOGFRIPFBIUAQP-JGPRNRPPSA-N	-1	0	293.327	0.326	20	30		CCEDRM
C#CCN1CCC[C@@H](NC(=O)N[C@H](C)CC(=O)[O-])C1	ZINC001588429850	958250908	/nfs/dbraw/zinc/25/09/08/958250908.db2.gz	FJZGBJVHMUSGRU-GHMZBOCLSA-N	-1	0	267.329	0.246	20	30		CCEDRM
C#CCN1CCN(C(=O)C(CC)(CC)C(=O)[O-])CC1	ZINC001588430577	958257179	/nfs/dbraw/zinc/25/71/79/958257179.db2.gz	NWPWGTCAEQAVEZ-UHFFFAOYSA-N	-1	0	266.341	0.655	20	30		CCEDRM
C#CCN1CCC[C@H](NC(=O)N2CC[C@](C)(C(=O)[O-])C2)C1	ZINC001588430940	958261875	/nfs/dbraw/zinc/26/18/75/958261875.db2.gz	QRPUELFOMVYZRF-WFASDCNBSA-N	-1	0	293.367	0.590	20	30		CCEDRM
C#CCN(CCS(=O)(=O)CC(=O)[O-])Cc1ccccc1	ZINC001588432463	958282267	/nfs/dbraw/zinc/28/22/67/958282267.db2.gz	WQOUMKAELYBBEV-UHFFFAOYSA-N	-1	0	295.360	0.621	20	30		CCEDRM
C#CCN(CCOc1cccc([N+](=O)[O-])c1)CC(=O)[O-]	ZINC001588432492	958285798	/nfs/dbraw/zinc/28/57/98/958285798.db2.gz	YKRUFIABFCMQKG-UHFFFAOYSA-N	-1	0	278.264	0.993	20	30		CCEDRM
C#CCOc1cccc(OC(=O)[C@@H](OC)C(=O)[O-])c1	ZINC001588433068	958290979	/nfs/dbraw/zinc/29/09/79/958290979.db2.gz	CMLPUUBKUWQPPB-NSHDSACASA-N	-1	0	264.233	0.704	20	30		CCEDRM
C#Cc1cncc(C(=O)N(CCC(=O)OC)CC(=O)[O-])c1	ZINC001588439707	958322914	/nfs/dbraw/zinc/32/29/14/958322914.db2.gz	RJSSUWMBMYNXSD-UHFFFAOYSA-N	-1	0	290.275	0.153	20	30		CCEDRM
C=C(CCC(=O)OC)C(=O)Nc1cc(C(=O)[O-])n[nH]1	ZINC001588444724	958366502	/nfs/dbraw/zinc/36/65/02/958366502.db2.gz	PCJURFYALPJFAM-UHFFFAOYSA-N	-1	0	267.241	0.556	20	30		CCEDRM
C=C[C@@](C)(O)CC(=O)N(CCC(=O)[O-])C1CCOCC1	ZINC001588451091	958405089	/nfs/dbraw/zinc/40/50/89/958405089.db2.gz	LUWVLMWSTQMYBA-CQSZACIVSA-N	-1	0	285.340	0.796	20	30		CCEDRM
C=CC[C@@H](C)OC(=O)C1(C(=O)[O-])CCS(=O)(=O)CC1	ZINC001588452677	958425357	/nfs/dbraw/zinc/42/53/57/958425357.db2.gz	HGHVPSYMOVYAOE-SECBINFHSA-N	-1	0	290.337	0.774	20	30		CCEDRM
C=C[C@@H]1CCCCN1C(=O)[C@H]1CCCN(CC(=O)[O-])C1=O	ZINC001588452944	958430257	/nfs/dbraw/zinc/43/02/57/958430257.db2.gz	SMAMXKRQLBKOOS-NEPJUHHUSA-N	-1	0	294.351	0.877	20	30		CCEDRM
C#C[C@@H](NC(=O)[C@@H]1CCCN(CC(=O)[O-])C1=O)C(C)(C)C	ZINC001573318775	958468571	/nfs/dbraw/zinc/46/85/71/958468571.db2.gz	RQJSCPRVDBJVLD-WDEREUQCSA-N	-1	0	294.351	0.474	20	30		CCEDRM
C#CCN(CC(=O)[O-])C(=O)c1c(C)ccc(F)c1N	ZINC001573319657	958475239	/nfs/dbraw/zinc/47/52/39/958475239.db2.gz	FEGLKLDQEGHIKL-UHFFFAOYSA-N	-1	0	264.256	0.876	20	30		CCEDRM
C=CCN(C(=O)C(=O)N1CCC[C@H](CC(=O)[O-])C1)C1CC1	ZINC001588460465	958476702	/nfs/dbraw/zinc/47/67/02/958476702.db2.gz	JCLPFJIBMYHGRP-LLVKDONJSA-N	-1	0	294.351	0.877	20	30		CCEDRM
C=CCN(CN1C[C@H](C(=O)[O-])CC1=O)[C@@H](C)COC	ZINC001588464434	958491823	/nfs/dbraw/zinc/49/18/23/958491823.db2.gz	QPDMUGVMSWRILY-WDEREUQCSA-N	-1	0	270.329	0.400	20	30		CCEDRM
C=CCOCC(=O)O[C@H]1CCCCN(CC(=O)[O-])C1=O	ZINC001588465013	958495258	/nfs/dbraw/zinc/49/52/58/958495258.db2.gz	CDFYILMZXRENQM-JTQLQIEISA-N	-1	0	285.296	0.198	20	30		CCEDRM
CC#CC[C@H](CO)NC(=O)C1(C(=O)[O-])CC=CC1	ZINC001588478535	958568867	/nfs/dbraw/zinc/56/88/67/958568867.db2.gz	FQECELYGWZTVKA-SNVBAGLBSA-N	-1	0	251.282	0.298	20	30		CCEDRM
C[C@](C#N)(CC(=O)[O-])C(=O)N[C@@H](CC#N)C(F)(F)F	ZINC001573359536	958585862	/nfs/dbraw/zinc/58/58/62/958585862.db2.gz	BULGXIHANFALOV-IMTBSYHQSA-N	-1	0	277.202	0.952	20	30		CCEDRM
C[C@@H](C#N)CN(C(=O)[C@H]1CC(C(=O)[O-])=NO1)C1CC1	ZINC001573362722	958601746	/nfs/dbraw/zinc/60/17/46/958601746.db2.gz	FFJZVTREWDBNPM-OIBJUYFYSA-N	-1	0	265.269	0.367	20	30		CCEDRM
C[C@@](C#N)(CC(=O)[O-])C(=O)N[C@@H]1CCO[C@H]1C1CC1	ZINC001573362970	958603903	/nfs/dbraw/zinc/60/39/03/958603903.db2.gz	HOHMVGCFYXNAJG-CDMKHQONSA-N	-1	0	266.297	0.675	20	30		CCEDRM
Cc1cccc([C@@H](NCC(=O)NCCC#N)C(=O)[O-])c1	ZINC001594399368	958827685	/nfs/dbraw/zinc/82/76/85/958827685.db2.gz	NNVHGFUYXILPST-CYBMUJFWSA-N	-1	0	275.308	0.740	20	30		CCEDRM
COc1ncc(COC(=O)[C@](C)(C#N)CC(=O)[O-])c(C)n1	ZINC001594160594	958882962	/nfs/dbraw/zinc/88/29/62/958882962.db2.gz	QJXXLVTXZKWMLU-ZDUSSCGKSA-N	-1	0	293.279	0.841	20	30		CCEDRM
C=C(C)CN(C)C(=O)NCCn1cc(C(=O)[O-])nn1	ZINC000135308730	958887129	/nfs/dbraw/zinc/88/71/29/958887129.db2.gz	OUQZHJZKPLPTDR-UHFFFAOYSA-N	-1	0	267.289	0.194	20	30		CCEDRM
C[C@](C#N)(CC(=O)[O-])C(=O)N1Cc2cccnc2C1	ZINC001588538004	958937772	/nfs/dbraw/zinc/93/77/72/958937772.db2.gz	BYAIUFSTOGKQAI-CYBMUJFWSA-N	-1	0	259.265	0.928	20	30		CCEDRM
C[C@](C#N)(CC(=O)[O-])C(=O)N[C@H](CO)C1CCC1	ZINC001588538732	958944627	/nfs/dbraw/zinc/94/46/27/958944627.db2.gz	NDRKIJMZSPTONH-BXKDBHETSA-N	-1	0	254.286	0.268	20	30		CCEDRM
C[C@](C#N)(CC(=O)[O-])C(=O)N1CCO[C@H](C2CC2)C1	ZINC001588539036	958950115	/nfs/dbraw/zinc/95/01/15/958950115.db2.gz	UPQZWFKEPRMPQC-GXFFZTMASA-N	-1	0	266.297	0.628	20	30		CCEDRM
C[C@](C#N)(CC(=O)[O-])C(=O)OCCC1OCCO1	ZINC001588539884	958953651	/nfs/dbraw/zinc/95/36/51/958953651.db2.gz	DLHDUHZMWYHYIW-LLVKDONJSA-N	-1	0	257.242	0.297	20	30		CCEDRM
C[C@](C#N)(CC(=O)[O-])C(=O)OCCC1(O)CCC1	ZINC001588540312	958959941	/nfs/dbraw/zinc/95/99/41/958959941.db2.gz	XDQWTAVIYWZFHW-LLVKDONJSA-N	-1	0	255.270	0.839	20	30		CCEDRM
C[C@H](C#N)N(C)C(=O)C1(C(=O)[O-])CCSCC1	ZINC001588543418	958978597	/nfs/dbraw/zinc/97/85/97/958978597.db2.gz	LLWDXMAKWYTGMW-MRVPVSSYSA-N	-1	0	256.327	0.955	20	30		CCEDRM
C[C@H](C#N)C(=O)NC[C@@H]1CCC2(CC(C(=O)[O-])C2)O1	ZINC001588543431	958979421	/nfs/dbraw/zinc/97/94/21/958979421.db2.gz	LTHYNEYJYJJCAA-PSHCNPEKSA-N	-1	0	266.297	0.675	20	30		CCEDRM
CC(C)[C@H](O)CCNC(=O)[C@@](C)(C#N)CC(=O)[O-]	ZINC001573500728	959061320	/nfs/dbraw/zinc/06/13/20/959061320.db2.gz	UBJINTSGWKCKIQ-BXKDBHETSA-N	-1	0	256.302	0.514	20	30		CCEDRM
C[C@@](C#N)(CC(=O)[O-])C(=O)NCC[C@]1(O)CCCOC1	ZINC001588558432	959085559	/nfs/dbraw/zinc/08/55/59/959085559.db2.gz	UYCQILVTQBBMDI-QWHCGFSZSA-N	-1	0	284.312	0.039	20	30		CCEDRM
C[C@H](C(=O)[O-])C(=O)N1CCC2(CC1)CC(=O)C=CO2	ZINC001588564610	959125757	/nfs/dbraw/zinc/12/57/57/959125757.db2.gz	JXXGXIULNSLDPV-VIFPVBQESA-N	-1	0	267.281	0.571	20	30		CCEDRM
C[C@@H](C(=O)[O-])C(=O)N1CCCc2nc(C#N)ccc21	ZINC001588566479	959150590	/nfs/dbraw/zinc/15/05/90/959150590.db2.gz	XZPYCBGFCUMDKN-MRVPVSSYSA-N	-1	0	259.265	0.953	20	30		CCEDRM
C#CC[C@H](NS(=O)(=O)N(C)C1CCCCC1)C(=O)[O-]	ZINC000161251716	959178104	/nfs/dbraw/zinc/17/81/04/959178104.db2.gz	SUJWILOAOHRTQS-NSHDSACASA-N	-1	0	288.369	0.562	20	30		CCEDRM
C#CCN(C)S(=O)(=O)Cc1cccc(C(=O)[O-])c1	ZINC000164447449	959256957	/nfs/dbraw/zinc/25/69/57/959256957.db2.gz	VHCNZZFHOXCEJN-UHFFFAOYSA-N	-1	0	267.306	0.780	20	30		CCEDRM
O=C(NCC#C[C@H]1CCCCO1)N[C@H]1C[C@H](C(=O)[O-])C1	ZINC001605753191	972416682	/nfs/dbraw/zinc/41/66/82/972416682.db2.gz	YOIRQMCPQNXVFM-IJLUTSLNSA-N	-1	0	280.324	0.721	20	30		CCEDRM
C#C[C@@H](C)NS(=O)(=O)c1ccsc1C(=O)[O-]	ZINC000166342100	959305911	/nfs/dbraw/zinc/30/59/11/959305911.db2.gz	CBKBDUJLMJOPQZ-ZCFIWIBFSA-N	-1	0	259.308	0.746	20	30		CCEDRM
Cc1nc([C@@H](C)OC(=O)[C@](C)(C#N)CC(=O)[O-])no1	ZINC001594449649	959354821	/nfs/dbraw/zinc/35/48/21/959354821.db2.gz	GFZIBTRIUVTHRL-KBUNVGBDSA-N	-1	0	267.241	0.987	20	30		CCEDRM
CC(C)(C#N)CS(=O)(=O)N[C@H]1C[C@@H](C(=O)[O-])C1	ZINC001588607847	959497115	/nfs/dbraw/zinc/49/71/15/959497115.db2.gz	VNOUXXFFDPKGJP-OCAPTIKFSA-N	-1	0	260.315	0.319	20	30		CCEDRM
CC(C)(C(=O)[O-])C(=O)OCC(=O)NC1(C#N)CCC1	ZINC001588618405	959529630	/nfs/dbraw/zinc/52/96/30/959529630.db2.gz	IXPZMACDRDODOT-UHFFFAOYSA-N	-1	0	268.269	0.203	20	30		CCEDRM
C[C@]1(C#N)CN(C(=O)[C@H]2CC[C@@H](C(=O)[O-])C2)CCO1	ZINC001573645692	959640190	/nfs/dbraw/zinc/64/01/90/959640190.db2.gz	KCSUWDYSFHHDNP-CWSCBRNRSA-N	-1	0	266.297	0.628	20	30		CCEDRM
C#CC[C@@H](NS(=O)(=O)N1C[C@H](C)C[C@H](C)C1)C(=O)[O-]	ZINC000227519890	959951881	/nfs/dbraw/zinc/95/18/81/959951881.db2.gz	CAPCVXAYKNEIMU-OUAUKWLOSA-N	-1	0	288.369	0.275	20	30		CCEDRM
C[C@@H](OC(=O)[C@](C)(C#N)CC(=O)[O-])C(=O)C1CC1	ZINC001603269163	972474277	/nfs/dbraw/zinc/47/42/77/972474277.db2.gz	UQUQXLBSEYLNGI-KRTXAFLBSA-N	-1	0	253.254	0.902	20	30		CCEDRM
C[C@@H]1CN(C(=O)NCC(C)(C)CC#N)C[C@@H](C(=O)[O-])O1	ZINC001571025326	960431841	/nfs/dbraw/zinc/43/18/41/960431841.db2.gz	RQZKVANTKALCHQ-ZJUUUORDSA-N	-1	0	283.328	0.810	20	30		CCEDRM
Cc1cc(C#N)cnc1C(=O)Nc1cc(C(=O)[O-])n(C)n1	ZINC001571026752	960442954	/nfs/dbraw/zinc/44/29/54/960442954.db2.gz	NVYRNGONYLLGLI-UHFFFAOYSA-N	-1	0	285.263	0.946	20	30		CCEDRM
N#Cc1ccc(NCC(=O)NC2(C(=O)[O-])CCCC2)nc1	ZINC001574249944	960505024	/nfs/dbraw/zinc/50/50/24/960505024.db2.gz	OFUSDSUJVWCQBH-UHFFFAOYSA-N	-1	0	288.307	0.879	20	30		CCEDRM
Cc1cc(C(=O)N2CCC[C@@H](O)[C@@H]2C(=O)[O-])ncc1C#N	ZINC001571034906	960514454	/nfs/dbraw/zinc/51/44/54/960514454.db2.gz	ADWUZEUBHXNMCU-VXGBXAGGSA-N	-1	0	289.291	0.312	20	30		CCEDRM
N#Cc1ncccc1S(=O)(=O)N[C@@H](CC(=O)[O-])C1CC1	ZINC000236424081	960576780	/nfs/dbraw/zinc/57/67/80/960576780.db2.gz	QXVPJDRUZOQPDR-VIFPVBQESA-N	-1	0	295.320	0.485	20	30		CCEDRM
CC[C@H](C(=O)[O-])[N@H+](C)Cc1cc(=O)n2[n-]cc(C#N)c2n1	ZINC001573767387	960623512	/nfs/dbraw/zinc/62/35/12/960623512.db2.gz	ASYOZNFWDKVNNY-SNVBAGLBSA-N	-1	0	289.295	0.602	20	30		CCEDRM
N#CCCN(CC(F)(F)F)C(=O)[C@H]1CC[C@@H](C(=O)[O-])O1	ZINC001571052664	960692482	/nfs/dbraw/zinc/69/24/82/960692482.db2.gz	MWNQPYYRSKQWCS-SFYZADRCSA-N	-1	0	294.229	0.923	20	30		CCEDRM
Cc1cc(=O)[nH]c(CNC(=O)[C@](C)(C#N)CC(=O)[O-])n1	ZINC001574307166	960744980	/nfs/dbraw/zinc/74/49/80/960744980.db2.gz	WFOPXRMNIHNICX-LBPRGKRZSA-N	-1	0	278.268	0.111	20	30		CCEDRM
CC[C@H](CNC(=O)NCc1nc(C#N)cs1)C(=O)[O-]	ZINC001573798257	960796052	/nfs/dbraw/zinc/79/60/52/960796052.db2.gz	UREKUKGPYFXOHV-SSDOTTSWSA-N	-1	0	282.325	0.925	20	30		CCEDRM
Cc1onc(CC(=O)NC(C)(C)CC(=O)[O-])c1C#N	ZINC001574446493	961451166	/nfs/dbraw/zinc/45/11/66/961451166.db2.gz	NXSGMIQDCGISMJ-UHFFFAOYSA-N	-1	0	265.269	0.767	20	30		CCEDRM
Cn1nc(C(=O)[O-])cc1C(=O)Nc1cnn(CC#N)c1	ZINC001574467034	961576158	/nfs/dbraw/zinc/57/61/58/961576158.db2.gz	MCUYJOWVEQUBRD-UHFFFAOYSA-N	-1	0	274.240	0.091	20	30		CCEDRM
CC[C@@H]1C[C@H]1Cn1c(=O)c(C#N)cn(CC(=O)[O-])c1=O	ZINC001573936654	961599042	/nfs/dbraw/zinc/59/90/42/961599042.db2.gz	CXJBOTKPVYHARC-BDAKNGLRSA-N	-1	0	277.280	0.012	20	30		CCEDRM
N#C[C@H]1C[C@H]1C(=O)N[C@H](Cc1ccccc1)C(=O)[O-]	ZINC001574480032	961655812	/nfs/dbraw/zinc/65/58/12/961655812.db2.gz	ULPJVJUQVIRIII-IJLUTSLNSA-N	-1	0	258.277	0.958	20	30		CCEDRM
N#CC[C@@]1(O)CCN(C(=O)Nc2cncc(C(=O)[O-])c2)C1	ZINC001574481191	961671839	/nfs/dbraw/zinc/67/18/39/961671839.db2.gz	WMOUTMHDFYLPPY-CYBMUJFWSA-N	-1	0	290.279	0.662	20	30		CCEDRM
N#CC[C@]1(O)CCN(C(=O)Nc2ccnc(C(=O)[O-])c2)C1	ZINC001574481350	961674625	/nfs/dbraw/zinc/67/46/25/961674625.db2.gz	ZWBHDQPGYRARNI-ZDUSSCGKSA-N	-1	0	290.279	0.662	20	30		CCEDRM
N#Cc1cnn(C(=O)C2(C(=O)[O-])CCSCC2)c1N	ZINC001574492858	961714869	/nfs/dbraw/zinc/71/48/69/961714869.db2.gz	DFCAHWLXPHYKTF-UHFFFAOYSA-N	-1	0	280.309	0.575	20	30		CCEDRM
N#Cc1cnccc1NC(=O)[C@H]1CO[C@H](CCC(=O)[O-])C1	ZINC001574492876	961715193	/nfs/dbraw/zinc/71/51/93/961715193.db2.gz	DGKZAHSBOFMDQB-MWLCHTKSSA-N	-1	0	289.291	0.584	20	30		CCEDRM
CC(C)CN1CCN(C(=O)[C@](C)(C#N)CC(=O)[O-])CC1=O	ZINC001588870216	962048797	/nfs/dbraw/zinc/04/87/97/962048797.db2.gz	AWQAMOSKBZGSBO-AWEZNQCLSA-N	-1	0	295.339	0.318	20	30		CCEDRM
COC(=O)CSCCNC(=O)[C@](C)(C#N)CC(=O)[O-]	ZINC001574070122	962247561	/nfs/dbraw/zinc/24/75/61/962247561.db2.gz	SDXPVCULEMDLSM-NSHDSACASA-N	-1	0	288.325	0.013	20	30		CCEDRM
COC1(C(F)(F)F)CN(C(=O)[C@](C)(C#N)CC(=O)[O-])C1	ZINC001574119879	962488308	/nfs/dbraw/zinc/48/83/08/962488308.db2.gz	IYSAJYMDKPOACA-VIFPVBQESA-N	-1	0	294.229	0.781	20	30		CCEDRM
C=C(CCC(=O)[O-])C(=O)N1CCN[C@@H](c2cn[nH]c2)C1	ZINC001573333052	962850048	/nfs/dbraw/zinc/85/00/48/962850048.db2.gz	WJICGNNEFJTAPS-LLVKDONJSA-N	-1	0	278.312	0.304	20	30		CCEDRM
C=C(CCC(=O)[O-])C(=O)NCC1N=NC(=S)N1CC	ZINC001573338129	962871910	/nfs/dbraw/zinc/87/19/10/962871910.db2.gz	YGRXPDDFOUXSBH-UHFFFAOYSA-N	-1	0	284.341	0.624	20	30		CCEDRM
C=C(CCC(=O)OC)C(=O)N1CC[C@H](C(=O)[O-])[C@H]1C	ZINC001573339452	962891440	/nfs/dbraw/zinc/89/14/40/962891440.db2.gz	SRBRZVOFBUKIPW-ZJUUUORDSA-N	-1	0	269.297	0.817	20	30		CCEDRM
C=C1CC(C)(C(=O)N[C@H](C)CN(C)C(=O)CNC(=O)[O-])C1	ZINC001573344289	962914466	/nfs/dbraw/zinc/91/44/66/962914466.db2.gz	RYBDTYYTGUWZOH-SNVBAGLBSA-N	-1	0	297.355	0.573	20	30		CCEDRM
N#Cc1cccc(CN2C[C@H](O)C[C@H]2C(=O)[O-])c1F	ZINC000300264824	962995354	/nfs/dbraw/zinc/99/53/54/962995354.db2.gz	PAVDXNBELCPACJ-MNOVXSKESA-N	-1	0	264.256	0.717	20	30		CCEDRM
C=CCCC(=O)N1CC(CNC(=O)[C@H]2C[C@H]2C(=O)[O-])C1	ZINC001573353480	963001831	/nfs/dbraw/zinc/00/18/31/963001831.db2.gz	WSTYODYNDCGAFH-WDEREUQCSA-N	-1	0	280.324	0.248	20	30		CCEDRM
C=CCCC(=O)N1CC(CNC(=O)[C@@H]2C[C@H]2C(=O)[O-])C1	ZINC001573353477	963002719	/nfs/dbraw/zinc/00/27/19/963002719.db2.gz	WSTYODYNDCGAFH-GHMZBOCLSA-N	-1	0	280.324	0.248	20	30		CCEDRM
C=CCCCC(=O)N[C@H]1CCCN(C(=O)CNC(=O)[O-])C1	ZINC001573357403	963015837	/nfs/dbraw/zinc/01/58/37/963015837.db2.gz	NEVOFDJYJNKDIB-NSHDSACASA-N	-1	0	297.355	0.718	20	30		CCEDRM
C=CCCCC(=O)N1CCC[C@@H]1CNC(=O)CNC(=O)[O-]	ZINC001573357985	963022774	/nfs/dbraw/zinc/02/27/74/963022774.db2.gz	VIQAIJQAUBLJAH-LLVKDONJSA-N	-1	0	297.355	0.718	20	30		CCEDRM
CN(CCN(C)c1cnc(C#N)c(C#N)n1)C(=O)[O-]	ZINC001570976471	963057000	/nfs/dbraw/zinc/05/70/00/963057000.db2.gz	JKGBCODGLLDQQY-UHFFFAOYSA-N	-1	0	260.257	0.266	20	30		CCEDRM
N#C[C@H]1C[C@H]1C(=O)N[C@@H](C[C@@H]1CCCOC1)C(=O)[O-]	ZINC001570986850	963120663	/nfs/dbraw/zinc/12/06/63/963120663.db2.gz	DELMAQRDWZDKNQ-ZDCRXTMVSA-N	-1	0	266.297	0.532	20	30		CCEDRM
N#CC1(CNC(=O)NC[C@H]2CCO[C@H]2C(=O)[O-])CCC1	ZINC001571013799	963303651	/nfs/dbraw/zinc/30/36/51/963303651.db2.gz	ZMTCPWWXBZYOKJ-NXEZZACHSA-N	-1	0	281.312	0.469	20	30		CCEDRM
C#CCC[C@@H](O)CNC(=O)Nc1nn(C)cc1C(=O)[O-]	ZINC001588435308	964019914	/nfs/dbraw/zinc/01/99/14/964019914.db2.gz	KXDKVYJZBZCOAN-MRVPVSSYSA-N	-1	0	280.284	0.014	20	30		CCEDRM
C#CCC[C@@H](O)CNC(=O)c1ccc(C(=O)[O-])cn1	ZINC001588435356	964021483	/nfs/dbraw/zinc/02/14/83/964021483.db2.gz	MXPGRCWHFFIMHS-SNVBAGLBSA-N	-1	0	262.265	0.284	20	30		CCEDRM
C#CCCCC(=O)N1CC(N(C)C(=O)[C@H]2C[C@@H]2C(=O)[O-])C1	ZINC001588435709	964025236	/nfs/dbraw/zinc/02/52/36/964025236.db2.gz	XKDZGRSFAXSVGK-RYUDHWBXSA-N	-1	0	292.335	0.180	20	30		CCEDRM
C#Cc1ccc(NC(=O)C(=O)NC[C@H](CC)C(=O)[O-])cc1	ZINC001588439449	964029083	/nfs/dbraw/zinc/02/90/83/964029083.db2.gz	VMWUOPYWWHZKKL-NSHDSACASA-N	-1	0	288.303	0.833	20	30		CCEDRM
C#CCCCCC(=O)N[C@H](Cn1cncn1)C(=O)[O-]	ZINC001588440547	964039355	/nfs/dbraw/zinc/03/93/55/964039355.db2.gz	ZPJCDDLAQYGVOQ-SNVBAGLBSA-N	-1	0	264.285	0.041	20	30		CCEDRM
C=C(C)C[C@@H](NC(C)=O)C(=O)N(C)C[C@H](C)C(=O)[O-]	ZINC001588443150	964060060	/nfs/dbraw/zinc/06/00/60/964060060.db2.gz	YKVLJTDVKKZETC-GXSJLCMTSA-N	-1	0	270.329	0.636	20	30		CCEDRM
C#CCCCS(=O)(=O)N(CC(F)F)[C@H](C)C(=O)[O-]	ZINC001588446348	964071901	/nfs/dbraw/zinc/07/19/01/964071901.db2.gz	FXLGSKNGXNDIJX-MRVPVSSYSA-N	-1	0	283.296	0.770	20	30		CCEDRM
C#CCCN(CCOC)C(=O)c1cnc(C(=O)[O-])cn1	ZINC001588447448	964087235	/nfs/dbraw/zinc/08/72/35/964087235.db2.gz	KIUYUOJMJMTCGQ-UHFFFAOYSA-N	-1	0	277.280	0.287	20	30		CCEDRM
C#CCN(CC(=O)[O-])CC(=O)Nc1cc(F)ccc1F	ZINC000092481884	967595260	/nfs/dbraw/zinc/59/52/60/967595260.db2.gz	FOPBWXPMLOGVAI-UHFFFAOYSA-N	-1	0	282.246	0.923	20	30		CCEDRM
C#CCN(CC(=O)[O-])C(=O)COc1cccc(C)c1	ZINC000092478772	967595898	/nfs/dbraw/zinc/59/58/98/967595898.db2.gz	HCYJQZAYACHRLV-UHFFFAOYSA-N	-1	0	261.277	0.920	20	30		CCEDRM
C#CCN(CC(=O)[O-])C(=O)c1sccc1OC	ZINC000161417212	967655416	/nfs/dbraw/zinc/65/54/16/967655416.db2.gz	WFDDLCLTCBWOBP-UHFFFAOYSA-N	-1	0	253.279	0.917	20	30		CCEDRM
C#CCN(CC(=O)[O-])C(=O)NCCc1ccccc1OC	ZINC000230300447	967725154	/nfs/dbraw/zinc/72/51/54/967725154.db2.gz	DMVIJIVPRHXDMO-UHFFFAOYSA-N	-1	0	290.319	0.967	20	30		CCEDRM
C#C[C@H](NC(=O)N[C@H](C)CC(=O)[O-])[C@H]1CCCO1	ZINC001609623774	970421951	/nfs/dbraw/zinc/42/19/51/970421951.db2.gz	BESDMVJTMNBSTN-KXUCPTDWSA-N	-1	0	254.286	0.330	20	30		CCEDRM
C[C@](C#N)(CC(=O)[O-])C(=O)N[C@@H]1C[C@H](O)C1(C)C	ZINC001609691409	970447780	/nfs/dbraw/zinc/44/77/80/970447780.db2.gz	NLZJEIHEBLYAPY-RGNHYFCHSA-N	-1	0	254.286	0.267	20	30		CCEDRM
C[C@@H](C(=O)[O-])C(=O)OCC(=O)Nc1ccc(C#N)cc1	ZINC001609705767	970476589	/nfs/dbraw/zinc/47/65/89/970476589.db2.gz	GWZOSSZWOYINGS-QMMMGPOBSA-N	-1	0	276.248	0.761	20	30		CCEDRM
CC(C)[C@H](C#N)N1CCN(C(=O)CCC(=O)[O-])CC1	ZINC001609789442	970528952	/nfs/dbraw/zinc/52/89/52/970528952.db2.gz	OKRVYINKDJBYDZ-NSHDSACASA-N	-1	0	267.329	0.544	20	30		CCEDRM
C[C@](O)(CNC(=O)C#Cc1cccs1)C(=O)[O-]	ZINC001609943328	970614749	/nfs/dbraw/zinc/61/47/49/970614749.db2.gz	UGMMHGLKSQYKFB-NSHDSACASA-N	-1	0	253.279	0.051	20	30		CCEDRM
Cc1cc(C#N)cnc1C(=O)Nc1cc(C(=O)[O-])n[nH]1	ZINC001605101779	972752728	/nfs/dbraw/zinc/75/27/28/972752728.db2.gz	CKHZSRDJSIECPI-UHFFFAOYSA-N	-1	0	271.236	0.935	20	30		CCEDRM
O=C([O-])C1CN(C(=O)C#Cc2ccc3c(c2)OCO3)C1	ZINC001606030675	973126180	/nfs/dbraw/zinc/12/61/80/973126180.db2.gz	LGTXRKNVKJBPEY-UHFFFAOYSA-N	-1	0	273.244	0.310	20	30		CCEDRM
CO[C@@](C)(C(=O)[O-])C(=O)OCc1ccnc(C#N)c1	ZINC001604472990	973362469	/nfs/dbraw/zinc/36/24/69/973362469.db2.gz	NJDDJDCWTLYUBP-LBPRGKRZSA-N	-1	0	264.237	0.486	20	30		CCEDRM
CC[C@H](C(=O)[O-])N(C)S(=O)(=O)CC(C)(C)C#N	ZINC001603500252	973463963	/nfs/dbraw/zinc/46/39/63/973463963.db2.gz	BMHROOSPZZFBNK-MRVPVSSYSA-N	-1	0	262.331	0.661	20	30		CCEDRM
O=C([O-])[C@@H]1C[C@H](O)CN(C(=O)C#Cc2ccccc2)C1	ZINC000401909818	973523074	/nfs/dbraw/zinc/52/30/74/973523074.db2.gz	SORSRONDXSJYNQ-OLZOCXBDSA-N	-1	0	273.288	0.332	20	30		CCEDRM
N#CC[C@@]1(O)CCN(C(=O)/C=C\c2ccc(C(=O)[O-])o2)C1	ZINC001605581944	973862921	/nfs/dbraw/zinc/86/29/21/973862921.db2.gz	PSPJQRPSSTWWNL-CTGSTSKSSA-N	-1	0	290.275	0.868	20	30		CCEDRM
CCc1nc([C@H](C)OC(=O)[C@@](C)(C#N)CC(=O)[O-])n[nH]1	ZINC001603980829	974478932	/nfs/dbraw/zinc/47/89/32/974478932.db2.gz	QVFVDRKSYDILJW-JVXZTZIISA-N	-1	0	280.284	0.976	20	30		CCEDRM
CCn1ccnc1C(C#N)C(=O)COCC(=O)[O-]	ZINC001604018420	974531440	/nfs/dbraw/zinc/53/14/40/974531440.db2.gz	QKJVCCDIKCKEJF-QMMMGPOBSA-N	-1	0	251.242	0.180	20	30		CCEDRM
CCn1nccc1CNC(=O)[C@@](C)(C#N)CC(=O)[O-]	ZINC001604024953	974548096	/nfs/dbraw/zinc/54/80/96/974548096.db2.gz	ZQFWGOKHBMHUQD-GFCCVEGCSA-N	-1	0	264.285	0.524	20	30		CCEDRM
C[C@H](CC#N)C(=O)N1CC[C@@H](n2cc(C(=O)[O-])nn2)C1	ZINC001592213535	977274120	/nfs/dbraw/zinc/27/41/20/977274120.db2.gz	YWEFJEJJIKVKCB-RKDXNWHRSA-N	-1	0	277.284	0.299	20	30		CCEDRM
C[C@@H](CC#N)NC(=O)COCc1ocnc1C(=O)[O-]	ZINC001592221502	977399366	/nfs/dbraw/zinc/39/93/66/977399366.db2.gz	JAJYFECPLQIIEH-ZETCQYMHSA-N	-1	0	267.241	0.308	20	30		CCEDRM
C[C@H](CC#N)C(=O)O[C@@H]1COC[C@H]1n1cc(C(=O)[O-])nn1	ZINC001592221579	977400909	/nfs/dbraw/zinc/40/09/09/977400909.db2.gz	KXZJRVLUYGXHDK-SZEHBUNVSA-N	-1	0	294.267	0.009	20	30		CCEDRM
C[C@](CCF)(NS(=O)(=O)c1ccc(C#N)o1)C(=O)[O-]	ZINC001592507474	978326253	/nfs/dbraw/zinc/32/62/53/978326253.db2.gz	KGQRAVTTYBLHGE-SNVBAGLBSA-N	-1	0	290.272	0.632	20	30		CCEDRM
C[C@@H](CN1CCOCC1)Nc1ccc(C(=O)[O-])nc1C#N	ZINC001592624763	978600942	/nfs/dbraw/zinc/60/09/42/978600942.db2.gz	LRXVKICVXYDBMV-JTQLQIEISA-N	-1	0	290.323	0.784	20	30		CCEDRM
CCC(CC)(NS(=O)(=O)N(C)[C@H](C)CC#N)C(=O)[O-]	ZINC001595101266	979405552	/nfs/dbraw/zinc/40/55/52/979405552.db2.gz	BVYVQHRXISXBQD-SECBINFHSA-N	-1	0	291.373	0.698	20	30		CCEDRM
C[C@](Cn1cccn1)(NC(=O)CCCC#N)C(=O)[O-]	ZINC001592917998	979899779	/nfs/dbraw/zinc/89/97/79/979899779.db2.gz	XOEHBYUVRADJMT-GFCCVEGCSA-N	-1	0	264.285	0.536	20	30		CCEDRM
C[C@@H](NC(=O)N1CC(O)(C(=O)[O-])C1)c1cccc(C#N)c1	ZINC001593054751	980364813	/nfs/dbraw/zinc/36/48/13/980364813.db2.gz	ZJYOOCOMFYDNSI-SECBINFHSA-N	-1	0	289.291	0.460	20	30		CCEDRM
CC[C@@H]1CN(c2ccc(C(=O)[O-])nc2C#N)C[C@@H]1O	ZINC001595491767	981251642	/nfs/dbraw/zinc/25/16/42/981251642.db2.gz	CLBVDJNEZJWMKP-PELKAZGASA-N	-1	0	261.281	0.859	20	30		CCEDRM
CC[C@H](C(=O)[O-])C(=O)N(CC#N)CCC(=O)OC	ZINC001594741640	981612909	/nfs/dbraw/zinc/61/29/09/981612909.db2.gz	RCAPXULNSLKWKN-QMMMGPOBSA-N	-1	0	256.258	0.012	20	30		CCEDRM
CC[C@@H](C(=O)[O-])C(=O)O[C@@H](C)C(=O)N(C)CCC#N	ZINC001594766505	981722575	/nfs/dbraw/zinc/72/25/75/981722575.db2.gz	XNFHITDEPSPSAH-IUCAKERBSA-N	-1	0	270.285	0.401	20	30		CCEDRM
CC[C@](C)(C#N)C(=O)O[C@H](C)c1cn(CC(=O)[O-])nn1	ZINC001594777603	981769025	/nfs/dbraw/zinc/76/90/25/981769025.db2.gz	BVFZMPLQEKFJLX-PRHODGIISA-N	-1	0	280.284	0.907	20	30		CCEDRM
CC[C@@H](C)[C@@H](NC(=O)COC(=O)C#CC1CC1)C(=O)[O-]	ZINC001594898104	982346100	/nfs/dbraw/zinc/34/61/00/982346100.db2.gz	UGXOVVNMDLNBNT-NOZJJQNGSA-N	-1	0	281.308	0.559	20	30		CCEDRM
CC[C@@H](C)[C@@H](NC(=O)COc1cnc(C#N)nc1)C(=O)[O-]	ZINC001594903560	982371815	/nfs/dbraw/zinc/37/18/15/982371815.db2.gz	UDJTVAHNOKRBED-PRHODGIISA-N	-1	0	292.295	0.343	20	30		CCEDRM
C#C[C@](C)(CC)NC(=O)CN1CCC[C@@H](C(=O)[O-])C1=O	ZINC001588366988	983295884	/nfs/dbraw/zinc/29/58/84/983295884.db2.gz	DHAPBTMZFVYFEU-QMTHXVAHSA-N	-1	0	280.324	0.228	20	30		CCEDRM
C#C[C@H](C)NS(=O)(=O)Cc1ccccc1C(=O)[O-]	ZINC001588367936	983303064	/nfs/dbraw/zinc/30/30/64/983303064.db2.gz	DFZUNKYKEXJOPX-VIFPVBQESA-N	-1	0	267.306	0.826	20	30		CCEDRM
C#C[C@@H](C)NC(=O)N1CCC[C@@](O)(C2(C(=O)[O-])CCC2)C1	ZINC001588368168	983303856	/nfs/dbraw/zinc/30/38/56/983303856.db2.gz	HOIJBRKYCYERNP-ABAIWWIYSA-N	-1	0	294.351	0.800	20	30		CCEDRM
C#C[C@H](C)NS(=O)(=O)c1ccc(Cl)nc1C(=O)[O-]	ZINC001588368437	983306282	/nfs/dbraw/zinc/30/62/82/983306282.db2.gz	MXFWZBWJXCTDSO-LURJTMIESA-N	-1	0	288.712	0.733	20	30		CCEDRM
CCCc1cc(C(=O)N(CC#N)CCC(=O)[O-])[nH]n1	ZINC001596052876	983353215	/nfs/dbraw/zinc/35/32/15/983353215.db2.gz	IXIQZKONDFEZAU-UHFFFAOYSA-N	-1	0	264.285	0.803	20	30		CCEDRM
C#C[C@H]1CCCCN1C(=O)CN1CCC[C@H](C(=O)[O-])C1=O	ZINC001588382170	983369349	/nfs/dbraw/zinc/36/93/49/983369349.db2.gz	IGZIXFKZTBINOF-RYUDHWBXSA-N	-1	0	292.335	0.324	20	30		CCEDRM
C#CC1(O)CN(Cc2[nH]cc(C(=O)[O-])c2C2CC2)C1	ZINC001588382422	983371203	/nfs/dbraw/zinc/37/12/03/983371203.db2.gz	OTIGAIDYRWFXJM-UHFFFAOYSA-N	-1	0	260.293	0.770	20	30		CCEDRM
C#C[C@@H]1CCCN(CC(=O)N[C@H](CC(C)C)C(=O)[O-])C1	ZINC001588382737	983374382	/nfs/dbraw/zinc/37/43/82/983374382.db2.gz	GXXDNEUTMPEDHM-CHWSQXEVSA-N	-1	0	280.368	0.947	20	30		CCEDRM
C#CC[C@H](NC(=O)C(=O)c1ccc2c(c1)CCC2)C(=O)[O-]	ZINC001588393623	983399314	/nfs/dbraw/zinc/39/93/14/983399314.db2.gz	CUWLSWPLJCWTLJ-ZDUSSCGKSA-N	-1	0	285.299	0.951	20	30		CCEDRM
C#CC[C@@H](CO)NC(=O)c1cc(C(=O)[O-])cc([N+](=O)[O-])c1	ZINC001588394054	983401262	/nfs/dbraw/zinc/40/12/62/983401262.db2.gz	MBPBKRCBPRJQII-JTQLQIEISA-N	-1	0	292.247	0.407	20	30		CCEDRM
C#CC[C@@H](COC)OC(=O)C12CC(C(=O)[O-])(C1)C2	ZINC001588394327	983402440	/nfs/dbraw/zinc/40/24/40/983402440.db2.gz	KUALDNNABKJMGE-ALXWSUNGSA-N	-1	0	252.266	0.823	20	30		CCEDRM
C#CC[C@@H](CCOC)NC(=O)[C@@H]1CC[C@H](C(=O)[O-])O1	ZINC001588396528	983408942	/nfs/dbraw/zinc/40/89/42/983408942.db2.gz	XBZMFMNQKDNZTR-GARJFASQSA-N	-1	0	269.297	0.163	20	30		CCEDRM
C#CC[C@@H](NC(=O)CN1C(=C)c2ccccc2C1=O)C(=O)[O-]	ZINC001588404364	983417482	/nfs/dbraw/zinc/41/74/82/983417482.db2.gz	AMOVVGJHEVFKIR-CYBMUJFWSA-N	-1	0	298.298	0.706	20	30		CCEDRM
C#CC[C@H](NC(=O)CN1C(=O)Cc2ccccc21)C(=O)[O-]	ZINC001588405025	983420039	/nfs/dbraw/zinc/42/00/39/983420039.db2.gz	JPKPDZRQXPKQBI-NSHDSACASA-N	-1	0	286.287	0.168	20	30		CCEDRM
C#CC[C@H](NC(=O)/C=C\c1ccncc1C)C(=O)[O-]	ZINC001588405967	983423442	/nfs/dbraw/zinc/42/34/42/983423442.db2.gz	KWQHHWGOWQKLNL-FJOGCWAESA-N	-1	0	258.277	0.996	20	30		CCEDRM
C#CC[C@@H](NC(=O)/C=C\c1cnccc1C)C(=O)[O-]	ZINC001588406225	983424670	/nfs/dbraw/zinc/42/46/70/983424670.db2.gz	NZEJSRFNBGPSCD-FOQNGQEVSA-N	-1	0	258.277	0.996	20	30		CCEDRM
C#CC[C@@H](NC(=O)/C=C/[C@H]1COC(C)(C)O1)C(=O)[O-]	ZINC001588406249	983424707	/nfs/dbraw/zinc/42/47/07/983424707.db2.gz	OCRMNNCJUQKNMA-LOSXEJPUSA-N	-1	0	267.281	0.287	20	30		CCEDRM
C#CC[C@H](NC(=O)c1cc(F)cc(C(=O)[O-])c1)C(=O)OC	ZINC001588413537	983431082	/nfs/dbraw/zinc/43/10/82/983431082.db2.gz	ALUDKVUSDKBKNE-NSHDSACASA-N	-1	0	293.250	0.819	20	30		CCEDRM
C#CC[C@H](NC(=O)c1c(C)[nH]nc1Cl)C(=O)[O-]	ZINC001588413552	983431176	/nfs/dbraw/zinc/43/11/76/983431176.db2.gz	ASQRKQKHBXOZIG-LURJTMIESA-N	-1	0	255.661	0.578	20	30		CCEDRM
C#CC[C@@H](NC(=O)c1cc(C)nc2c1cnn2C)C(=O)[O-]	ZINC001588414394	983433619	/nfs/dbraw/zinc/43/36/19/983433619.db2.gz	SJTRQHVVBIZYDD-LLVKDONJSA-N	-1	0	286.291	0.483	20	30		CCEDRM
C#CC[C@@H](NS(=O)(=O)C[C@H]1CCC1(F)F)C(=O)[O-]	ZINC001588423259	983451793	/nfs/dbraw/zinc/45/17/93/983451793.db2.gz	BAOYNLADCPTZEN-HTQZYQBOSA-N	-1	0	281.280	0.428	20	30		CCEDRM
C#CC[C@H](NS(=O)(=O)CC1CC(C)C1)C(=O)[O-]	ZINC001588424060	983454405	/nfs/dbraw/zinc/45/44/05/983454405.db2.gz	RTBTULOIMIKIQM-RTBKNWGFSA-N	-1	0	259.327	0.428	20	30		CCEDRM
C#CCCNC(=O)N1CCC[C@@H](n2cc(C(=O)[O-])nn2)C1	ZINC001588453743	983477343	/nfs/dbraw/zinc/47/73/43/983477343.db2.gz	QSWOARQGIPYLFK-SNVBAGLBSA-N	-1	0	291.311	0.346	20	30		CCEDRM
C#CCCS(=O)(=O)NCC1(CC(=O)[O-])CCCC1	ZINC001588458731	983483717	/nfs/dbraw/zinc/48/37/17/983483717.db2.gz	SYFWMPCDDAPHDV-UHFFFAOYSA-N	-1	0	273.354	0.964	20	30		CCEDRM
C#CCN1CCC[C@@H](Nc2ncc(C(=O)[O-])cn2)C1	ZINC001588477628	983517047	/nfs/dbraw/zinc/51/70/47/983517047.db2.gz	XELBENCSNJSRSL-LLVKDONJSA-N	-1	0	260.297	0.684	20	30		CCEDRM
C#CCOCCN(C)C(=O)CCc1ocnc1C(=O)[O-]	ZINC001588490313	983532191	/nfs/dbraw/zinc/53/21/91/983532191.db2.gz	YRCSXXLEZUFLFP-UHFFFAOYSA-N	-1	0	280.280	0.414	20	30		CCEDRM
C#CCO[C@H](C)C(=O)Nc1cc(C(=O)[O-])c[nH]c1=O	ZINC001588490583	983532921	/nfs/dbraw/zinc/53/29/21/983532921.db2.gz	QDCUEUGLJPUTNX-SSDOTTSWSA-N	-1	0	264.237	0.462	20	30		CCEDRM
C#Cc1ccc(C(=O)N2CCC[C@@]2(COC)C(=O)[O-])cn1	ZINC001588511279	983559120	/nfs/dbraw/zinc/55/91/20/983559120.db2.gz	UKCUUPNBCMWIMS-OAHLLOKOSA-N	-1	0	288.303	0.769	20	30		CCEDRM
C#Cc1ccccc1CC(=O)N[C@@H](COC)C(=O)[O-]	ZINC001588524184	983574161	/nfs/dbraw/zinc/57/41/61/983574161.db2.gz	BRFADWWRODPNGI-LBPRGKRZSA-N	-1	0	261.277	0.426	20	30		CCEDRM
C#Cc1ccccc1CC(=O)NCC[C@H](O)C(=O)[O-]	ZINC001588528711	983577865	/nfs/dbraw/zinc/57/78/65/983577865.db2.gz	FCUFNHYQKVBVNM-LBPRGKRZSA-N	-1	0	261.277	0.162	20	30		CCEDRM
CCN(CC#N)C(=O)[C@H](CC(=O)[O-])NC(=O)OC(C)(C)C	ZINC001596200350	983585638	/nfs/dbraw/zinc/58/56/38/983585638.db2.gz	WWMZXYAKUSIMLW-VIFPVBQESA-N	-1	0	299.327	0.726	20	30		CCEDRM
C=C(C)C[C@H](CO)NC(=O)CCSCC(=O)[O-]	ZINC001588536855	983596322	/nfs/dbraw/zinc/59/63/22/983596322.db2.gz	UVHKGMINSPBISK-SECBINFHSA-N	-1	0	261.343	0.638	20	30		CCEDRM
C=C(C)C[C@@H](NC(=O)/C=C1\SCC(=O)N1C)C(=O)[O-]	ZINC001588540328	983603626	/nfs/dbraw/zinc/60/36/26/983603626.db2.gz	CYHRFIJVRHOUDJ-SOUAVXJDSA-N	-1	0	284.337	0.569	20	30		CCEDRM
C=C(C)C[C@@H](NC(=O)[C@H]1CCCN(C(C)=O)C1)C(=O)[O-]	ZINC001588540925	983605977	/nfs/dbraw/zinc/60/59/77/983605977.db2.gz	PAENGHUTTJKQTM-NWDGAFQWSA-N	-1	0	282.340	0.781	20	30		CCEDRM
C=C(C)C[C@@H](NC(=O)CCCc1nnn[n-]1)C(=O)[O-]	ZINC001588541142	983606287	/nfs/dbraw/zinc/60/62/87/983606287.db2.gz	STGAXXSRUSQDSX-MRVPVSSYSA-N	-1	0	267.289	0.058	20	30		CCEDRM
C=C(C)C[C@H](NC(=O)CSCC(C)=O)C(=O)[O-]	ZINC001588542247	983608041	/nfs/dbraw/zinc/60/80/41/983608041.db2.gz	DRCREDFQBSZTFN-VIFPVBQESA-N	-1	0	259.327	0.844	20	30		CCEDRM
C=C(C)C[C@@H](NC(=O)c1cc(C(N)=O)c[nH]1)C(=O)[O-]	ZINC001588543399	983611689	/nfs/dbraw/zinc/61/16/89/983611689.db2.gz	INQNDOWFZVTHTI-SECBINFHSA-N	-1	0	265.269	0.263	20	30		CCEDRM
C=C(C)C[C@@H](NC(=O)c1cc(OCC)n[nH]1)C(=O)[O-]	ZINC001588546561	983616212	/nfs/dbraw/zinc/61/62/12/983616212.db2.gz	NJKCMBIIGYLYNN-SECBINFHSA-N	-1	0	267.285	0.958	20	30		CCEDRM
C=C(C)C[C@H](NC(=O)c1cnc2c(c1)nnn2C)C(=O)[O-]	ZINC001588548012	983622422	/nfs/dbraw/zinc/62/24/22/983622422.db2.gz	KVAMNFROODFHCF-JTQLQIEISA-N	-1	0	289.295	0.513	20	30		CCEDRM
C=C(C)C[C@@H](NC(=O)c1cccc(C(N)=O)n1)C(=O)[O-]	ZINC001588548612	983624308	/nfs/dbraw/zinc/62/43/08/983624308.db2.gz	ROQZZRWOZMHEAG-SNVBAGLBSA-N	-1	0	277.280	0.330	20	30		CCEDRM
C=C(C)C[C@@H]([NH2+]Cc1cc(C(=O)[O-])nn1C)C(=O)[O-]	ZINC001588553744	983628539	/nfs/dbraw/zinc/62/85/39/983628539.db2.gz	QXCQYNPULRGGHR-SECBINFHSA-N	-1	0	267.285	0.627	20	30		CCEDRM
C=C(C)C[C@@H](NS(=O)(=O)C1CCC(=O)CC1)C(=O)[O-]	ZINC001588553772	983628547	/nfs/dbraw/zinc/62/85/47/983628547.db2.gz	RUGFWCRNXIBBML-LLVKDONJSA-N	-1	0	289.353	0.837	20	30		CCEDRM
C=C(C)C[C@H](NS(=O)(=O)c1ccc(C#N)cn1)C(=O)[O-]	ZINC001588555320	983634313	/nfs/dbraw/zinc/63/43/13/983634313.db2.gz	FNBHKUYGINAXCJ-JTQLQIEISA-N	-1	0	295.320	0.651	20	30		CCEDRM
C=C(C)C[C@@H](Nc1cc(C(N)=O)ncn1)C(=O)[O-]	ZINC001588555562	983635532	/nfs/dbraw/zinc/63/55/32/983635532.db2.gz	MDMXDWOACMVBPL-MRVPVSSYSA-N	-1	0	250.258	0.407	20	30		CCEDRM
C=C(C)CN(C)C(=O)C(=O)N[C@H]1C[C@H]2C[C@@H](C(=O)[O-])C[C@H]21	ZINC001588561564	983642032	/nfs/dbraw/zinc/64/20/32/983642032.db2.gz	MKHREDBINNSDLQ-KKOKHZNYSA-N	-1	0	294.351	0.636	20	30		CCEDRM
C=C(C)CN(CC)C(=O)C(=O)N1CCO[C@H](CC(=O)[O-])C1	ZINC001588563119	983644262	/nfs/dbraw/zinc/64/42/62/983644262.db2.gz	MMADJHZJOUIREX-LLVKDONJSA-N	-1	0	298.339	0.113	20	30		CCEDRM
C=C(C)CN(CC)C(=O)Cn1cc(CC(=O)[O-])nn1	ZINC001588563491	983645682	/nfs/dbraw/zinc/64/56/82/983645682.db2.gz	XDQLWYJKRHMKBO-UHFFFAOYSA-N	-1	0	266.301	0.330	20	30		CCEDRM
C=C(C)COCCNC(=O)N1C[C@H](C)O[C@H](C(=O)[O-])C1	ZINC001588569401	983648957	/nfs/dbraw/zinc/64/89/57/983648957.db2.gz	AKGJHARFQMBMQW-QWRGUYRKSA-N	-1	0	286.328	0.463	20	30		CCEDRM
C=C(C)Cn1c(CCO)nnc1N1C[C@@H](C)[C@H](C(=O)[O-])C1	ZINC001588597937	983681090	/nfs/dbraw/zinc/68/10/90/983681090.db2.gz	OELWSZVTHZJILR-GHMZBOCLSA-N	-1	0	294.355	0.546	20	30		CCEDRM
C=C(C)Cn1nnnc1N1CC[C@H](C(=O)[O-])[C@H]1C	ZINC001588598989	983687347	/nfs/dbraw/zinc/68/73/47/983687347.db2.gz	CFLLZXGNBUPBAH-BDAKNGLRSA-N	-1	0	251.290	0.549	20	30		CCEDRM
C=C(CC)C(=O)N1CCN([C@]2(C(=O)[O-])CCOC2)CC1	ZINC001588605561	983693585	/nfs/dbraw/zinc/69/35/85/983693585.db2.gz	GRRQXRAMAWQNCL-CQSZACIVSA-N	-1	0	282.340	0.341	20	30		CCEDRM
C=C(CCC(=O)[O-])C(=O)N1C[C@@H](C)O[C@H](CO)C1	ZINC001588612581	983703444	/nfs/dbraw/zinc/70/34/44/983703444.db2.gz	SMBOLPLTDNCKNO-ZJUUUORDSA-N	-1	0	257.286	0.016	20	30		CCEDRM
C=C(CCC(=O)[O-])C(=O)N1CCN(C)C(=O)C1(C)C	ZINC001588615030	983709896	/nfs/dbraw/zinc/70/98/96/983709896.db2.gz	IAIZGJMSHWTIGK-UHFFFAOYSA-N	-1	0	268.313	0.487	20	30		CCEDRM
C=C(CCC(=O)[O-])C(=O)N[C@H](C)COCCOC	ZINC001588618787	983713145	/nfs/dbraw/zinc/71/31/45/983713145.db2.gz	ABXGAIPZORSZRK-SNVBAGLBSA-N	-1	0	259.302	0.575	20	30		CCEDRM
C=C(CCC(=O)[O-])C(=O)N1CCOC[C@H]1COC	ZINC001588618962	983714277	/nfs/dbraw/zinc/71/42/77/983714277.db2.gz	GQWJHZSURLHLKN-SNVBAGLBSA-N	-1	0	257.286	0.281	20	30		CCEDRM
C=C(CCC(=O)[O-])C(=O)N[C@H](C)C(=O)N[C@H](C)CC	ZINC001588619056	983714540	/nfs/dbraw/zinc/71/45/40/983714540.db2.gz	JMZUMVRDTDWDAK-NXEZZACHSA-N	-1	0	270.329	0.827	20	30		CCEDRM
C=C(CCC(=O)[O-])C(=O)N[C@H](C)c1nnc(C)[nH]1	ZINC001588622400	983723809	/nfs/dbraw/zinc/72/38/09/983723809.db2.gz	XDTDLSOIZNFIPQ-SSDOTTSWSA-N	-1	0	252.274	0.711	20	30		CCEDRM
CCN(CCC#N)C(=O)Cn1ccc(C(=O)[O-])n1	ZINC001596299390	983723840	/nfs/dbraw/zinc/72/38/40/983723840.db2.gz	FQBHGFVXMCXNTE-UHFFFAOYSA-N	-1	0	250.258	0.343	20	30		CCEDRM
C=C(CCC(=O)[O-])C(=O)N[C@](CC)(COC)C(=O)OC	ZINC001588622505	983724044	/nfs/dbraw/zinc/72/40/44/983724044.db2.gz	ZXZRXHYNSQATSR-CYBMUJFWSA-N	-1	0	287.312	0.492	20	30		CCEDRM
C=C(CCC(=O)[O-])C(=O)NC[C@@H]1CCCS(=O)(=O)C1	ZINC001588624276	983731163	/nfs/dbraw/zinc/73/11/63/983731163.db2.gz	CXTUEJVQBBAWIQ-JTQLQIEISA-N	-1	0	289.353	0.348	20	30		CCEDRM
C=C(CO)C(=O)N[C@H](CC(=O)[O-])c1ccc(OC)cc1	ZINC001588637212	983759577	/nfs/dbraw/zinc/75/95/77/983759577.db2.gz	KBZQXBWLUJTHAK-GFCCVEGCSA-N	-1	0	279.292	0.876	20	30		CCEDRM
C=C(CO)C(=O)N[C@@H](Cc1ccccc1O)C(=O)[O-]	ZINC001588637831	983761163	/nfs/dbraw/zinc/76/11/63/983761163.db2.gz	WQVDYIQAVKGPDV-JTQLQIEISA-N	-1	0	265.265	0.053	20	30		CCEDRM
C=CC(=O)N(CC)CC(=O)N[C@@H](CC(=C)C)C(=O)[O-]	ZINC001588654108	983776443	/nfs/dbraw/zinc/77/64/43/983776443.db2.gz	BPFVYDJZUQWCAL-JTQLQIEISA-N	-1	0	268.313	0.557	20	30		CCEDRM
C=C[C@@H](C(=O)[O-])N1CCC2(CCC2)S(=O)(=O)CC1	ZINC001588663868	983797070	/nfs/dbraw/zinc/79/70/70/983797070.db2.gz	RBIJGINHZMLFSP-JTQLQIEISA-N	-1	0	273.354	0.669	20	30		CCEDRM
C=C[C@@H](C(=O)[O-])n1cc(CC(C)(C)C(=O)OC)nn1	ZINC001588670037	983817387	/nfs/dbraw/zinc/81/73/87/983817387.db2.gz	USORXIWHMAWKAI-VIFPVBQESA-N	-1	0	267.285	0.832	20	30		CCEDRM
C=C[C@@](C)(CCOC)C(=O)N1CCC([C@H](O)C(=O)[O-])CC1	ZINC001588682830	983845601	/nfs/dbraw/zinc/84/56/01/983845601.db2.gz	QWYAXMUTZIHZOY-WFASDCNBSA-N	-1	0	299.367	0.899	20	30		CCEDRM
C=C[C@](C)(O)CC(=O)N1CC[C@@H](OC)C[C@H]1C(=O)[O-]	ZINC001588683889	983852185	/nfs/dbraw/zinc/85/21/85/983852185.db2.gz	GNBZZJNKIWRSQP-NRUUGDAUSA-N	-1	0	271.313	0.404	20	30		CCEDRM
CCN(Cn1nc(C(=O)[O-])cc1C(=O)OC)[C@@H](C)C#N	ZINC001596380317	983900352	/nfs/dbraw/zinc/90/03/52/983900352.db2.gz	BPWBHRKXWIHLGT-QMMMGPOBSA-N	-1	0	280.284	0.559	20	30		CCEDRM
C=C[C@@H](OC(=O)[C@@H](NS(C)(=O)=O)C(C)(C)C)C(=O)[O-]	ZINC001588703991	983923143	/nfs/dbraw/zinc/92/31/43/983923143.db2.gz	BSHPGYQUCUUDNV-HTQZYQBOSA-N	-1	0	293.341	0.133	20	30		CCEDRM
C=C[C@@H](O)C(=O)N[C@H](C(=O)[O-])c1cccc(OC)c1	ZINC001588705620	983928009	/nfs/dbraw/zinc/92/80/09/983928009.db2.gz	ORXPRVGGGFYGOQ-MNOVXSKESA-N	-1	0	265.265	0.484	20	30		CCEDRM
C=C[C@@H](O)c1nnc(N2C[C@@H](C(=O)[O-])[C@H](C3CC3)C2)n1C	ZINC001588706172	983929874	/nfs/dbraw/zinc/92/98/74/983929874.db2.gz	WARREISJEXAKEI-HBNTYKKESA-N	-1	0	292.339	0.582	20	30		CCEDRM
C=CC[C@H](C(=O)[O-])N1CCO[C@H](C(=O)C2CC2)C1	ZINC001588732215	984016207	/nfs/dbraw/zinc/01/62/07/984016207.db2.gz	WIDULPYCJFWQEQ-MNOVXSKESA-N	-1	0	253.298	0.696	20	30		CCEDRM
C=CC[C@@H](NC(=O)Cn1ccc(C(=O)[O-])n1)C(=O)OCC	ZINC001588742440	984032868	/nfs/dbraw/zinc/03/28/68/984032868.db2.gz	CYDXTBYZLIDWHG-SNVBAGLBSA-N	-1	0	295.295	0.205	20	30		CCEDRM
C=CC[C@H](CO)NC(=O)Nc1c(C(=O)[O-])cnn1C	ZINC001588744629	984043813	/nfs/dbraw/zinc/04/38/13/984043813.db2.gz	POFVCIRQYSRVIU-SSDOTTSWSA-N	-1	0	268.273	0.177	20	30		CCEDRM
C=CC[C@H](N[C@H](C[C@@H]1CCCO1)C(=O)[O-])C(=O)OC	ZINC001588745762	984054705	/nfs/dbraw/zinc/05/47/05/984054705.db2.gz	MVEZCKPLPVGSIK-GARJFASQSA-N	-1	0	271.313	0.716	20	30		CCEDRM
C=CC[C@@H](OC(=O)/C=C/Cn1cncn1)C(=O)[O-]	ZINC001588753794	984088570	/nfs/dbraw/zinc/08/85/70/984088570.db2.gz	NKSBYLVRJUAACG-HYYFJVDXSA-N	-1	0	251.242	0.407	20	30		CCEDRM
C=CC[C@H](OC(=O)CCc1ccnn1C)C(=O)[O-]	ZINC001588754221	984092294	/nfs/dbraw/zinc/09/22/94/984092294.db2.gz	VRRRSMYRXLJNTD-JTQLQIEISA-N	-1	0	252.270	0.925	20	30		CCEDRM
C=CCC1(O)CCN(Cn2cc(C(=O)[O-])nn2)CC1	ZINC001588769125	984132226	/nfs/dbraw/zinc/13/22/26/984132226.db2.gz	LVORMOHMYPBZGI-UHFFFAOYSA-N	-1	0	266.301	0.337	20	30		CCEDRM
C=CCCC(=O)COC(=O)[C@H]1CC[C@@H](C(=O)[O-])O1	ZINC001588773731	984149180	/nfs/dbraw/zinc/14/91/80/984149180.db2.gz	HOYNHZFRGVALOV-VHSXEESVSA-N	-1	0	256.254	0.697	20	30		CCEDRM
C=CC[C@@H]1NC(=O)N([C@H]2CC=C(C(=O)[O-])C2)C1=O	ZINC001588774099	984150952	/nfs/dbraw/zinc/15/09/52/984150952.db2.gz	SSSHDHKNYXYIEQ-IUCAKERBSA-N	-1	0	250.254	0.656	20	30		CCEDRM
C=CCCC(=O)Nc1[nH]nc(OCCO)c1C(=O)[O-]	ZINC001588776840	984153556	/nfs/dbraw/zinc/15/35/56/984153556.db2.gz	JJGPEUDIRSOCBE-UHFFFAOYSA-N	-1	0	269.257	0.384	20	30		CCEDRM
C=CCC[C@H](NCc1cn(CC(=O)[O-])nn1)C(=O)OCC	ZINC001588778633	984161920	/nfs/dbraw/zinc/16/19/20/984161920.db2.gz	HMUXWZCTFHHUCR-NSHDSACASA-N	-1	0	296.327	0.350	20	30		CCEDRM
C=CCCCC(=O)N1C[C@@H](C(=O)[O-])[C@H](C(=O)OC)C1	ZINC001588781528	984166456	/nfs/dbraw/zinc/16/64/56/984166456.db2.gz	AVVINCXDLSEHEQ-NXEZZACHSA-N	-1	0	269.297	0.675	20	30		CCEDRM
C=CCCCC(=O)N(C)CCNC(=O)[C@@H]1C[C@H]1C(=O)[O-]	ZINC001588781853	984168565	/nfs/dbraw/zinc/16/85/65/984168565.db2.gz	KAFIVSWWGMVZCE-GHMZBOCLSA-N	-1	0	282.340	0.638	20	30		CCEDRM
C=CCCC[C@@H](NC(=O)Cc1nonc1C)C(=O)[O-]	ZINC001588794158	984224995	/nfs/dbraw/zinc/22/49/95/984224995.db2.gz	MVKLFDDXZSHZLP-SECBINFHSA-N	-1	0	267.285	0.846	20	30		CCEDRM
C=CCCO[C@@H](C)C(=O)NC[C@H]1CCO[C@H]1C(=O)[O-]	ZINC001588808717	984263001	/nfs/dbraw/zinc/26/30/01/984263001.db2.gz	LZQYKGOEEWYDNK-HBNTYKKESA-N	-1	0	271.313	0.574	20	30		CCEDRM
CCNc1ncc(C(=O)N(CC#N)CC(=O)[O-])s1	ZINC001596507597	984265953	/nfs/dbraw/zinc/26/59/53/984265953.db2.gz	LUZDVBVTRXTCKM-UHFFFAOYSA-N	-1	0	268.298	0.625	20	30		CCEDRM
C=CCCOCCN1C(=O)[C@@H]2CC[C@@H](C(=O)[O-])CN2C1=O	ZINC001588810437	984266818	/nfs/dbraw/zinc/26/68/18/984266818.db2.gz	QMADKNRIPLQISV-MNOVXSKESA-N	-1	0	296.323	0.707	20	30		CCEDRM
C=CCCON1C(=O)[C@@H]2C[C@H](C(=O)[O-])CCN2C1=O	ZINC001588813324	984269117	/nfs/dbraw/zinc/26/91/17/984269117.db2.gz	MPHGMNIASBONIY-BDAKNGLRSA-N	-1	0	268.269	0.622	20	30		CCEDRM
C=CCCON1C(=O)[C@H]2C[C@@H](C(=O)[O-])CCN2C1=O	ZINC001588813325	984269122	/nfs/dbraw/zinc/26/91/22/984269122.db2.gz	MPHGMNIASBONIY-DTWKUNHWSA-N	-1	0	268.269	0.622	20	30		CCEDRM
C=CCCn1cc(CN2CCC[C@H](O)[C@@H]2C(=O)[O-])nn1	ZINC001588820050	984281642	/nfs/dbraw/zinc/28/16/42/984281642.db2.gz	OGUWZYBKNORYOU-NWDGAFQWSA-N	-1	0	280.328	0.264	20	30		CCEDRM
C=CCN([C@@H](C)COC)S(=O)(=O)C[C@H](C)C(=O)[O-]	ZINC001588820787	984286092	/nfs/dbraw/zinc/28/60/92/984286092.db2.gz	RXNSGPUAOXYNAE-UWVGGRQHSA-N	-1	0	279.358	0.560	20	30		CCEDRM
C=CCN(CC=C)C(=O)[C@H](C)OC(=O)C1(C(=O)[O-])CC1	ZINC001588825536	984301292	/nfs/dbraw/zinc/30/12/92/984301292.db2.gz	TWLKSIFWNZSCBS-JTQLQIEISA-N	-1	0	281.308	0.984	20	30		CCEDRM
C=CCN1CC[C@H](N(C)C(=O)c2ccc(C(=O)[O-])o2)C1=O	ZINC001588836915	984330768	/nfs/dbraw/zinc/33/07/68/984330768.db2.gz	MODLUPZQOSHDAZ-VIFPVBQESA-N	-1	0	292.291	0.837	20	30		CCEDRM
C=CCN1CCN(CN2CCO[C@@H](CC(=O)[O-])C2)C1=O	ZINC001588839134	984344200	/nfs/dbraw/zinc/34/42/00/984344200.db2.gz	OAPYBNQWYHYKLC-NSHDSACASA-N	-1	0	283.328	0.043	20	30		CCEDRM
C=CCN1CC[C@H](N(C)Cc2oncc2C(=O)[O-])C1=O	ZINC001588839747	984349668	/nfs/dbraw/zinc/34/96/68/984349668.db2.gz	VXJMVTCKGNNULL-JTQLQIEISA-N	-1	0	279.296	0.592	20	30		CCEDRM
C=CCN1CC[C@H](N2CCc3[nH]nc(C(=O)[O-])c3C2)C1=O	ZINC001588839976	984351197	/nfs/dbraw/zinc/35/11/97/984351197.db2.gz	YGTIDWODCGZNIJ-NSHDSACASA-N	-1	0	290.323	0.253	20	30		CCEDRM
C=CCNC(=O)NC(=O)[C@@H](C)OC(=O)CCCC(=O)[O-]	ZINC001588843863	984354459	/nfs/dbraw/zinc/35/44/59/984354459.db2.gz	JWTRGJOSWPFWAZ-MRVPVSSYSA-N	-1	0	286.284	0.185	20	30		CCEDRM
C=CCO[C@@H]1CCN(S(=O)(=O)CC(C)(C)C(=O)[O-])C1	ZINC001588849736	984374185	/nfs/dbraw/zinc/37/41/85/984374185.db2.gz	HNYBOMHQTTVTBO-SNVBAGLBSA-N	-1	0	291.369	0.704	20	30		CCEDRM
C=CCO[C@H]1CCN(C(=O)NC[C@H]2CCO[C@H]2C(=O)[O-])C1	ZINC001588849838	984376286	/nfs/dbraw/zinc/37/62/86/984376286.db2.gz	LMYVQASMHSBTLV-GRYCIOLGSA-N	-1	0	298.339	0.463	20	30		CCEDRM
C=CCOC[C@H](NC(=O)CCc1cn(C)nc1C)C(=O)[O-]	ZINC001588853775	984386356	/nfs/dbraw/zinc/38/63/56/984386356.db2.gz	HYBDUIGBRCWPHJ-LBPRGKRZSA-N	-1	0	295.339	0.433	20	30		CCEDRM
C=CCOC[C@H](NC(=O)CCc1cn[nH]c1)C(=O)[O-]	ZINC001588853920	984387425	/nfs/dbraw/zinc/38/74/25/984387425.db2.gz	LKUQIYQQBJSZJQ-JTQLQIEISA-N	-1	0	267.285	0.114	20	30		CCEDRM
C=CCOC[C@H](NC(=O)/C=C\c1cncc(O)c1)C(=O)[O-]	ZINC001588854335	984389811	/nfs/dbraw/zinc/38/98/11/984389811.db2.gz	WRYHQAKIPXOSFT-MVZIDQBPSA-N	-1	0	292.291	0.572	20	30		CCEDRM
C=CCOC[C@H](NC(=O)C1CCSCC1)C(=O)[O-]	ZINC001588855189	984391612	/nfs/dbraw/zinc/39/16/12/984391612.db2.gz	BKNKLCKUOAUVDL-JTQLQIEISA-N	-1	0	273.354	0.902	20	30		CCEDRM
C=CCOC[C@@H](NC(=O)[C@@H]1CCc2nc[nH]c2C1)C(=O)[O-]	ZINC001588855904	984395289	/nfs/dbraw/zinc/39/52/89/984395289.db2.gz	QZWIIIOPOQIBPE-BXKDBHETSA-N	-1	0	293.323	0.287	20	30		CCEDRM
C=CCOC[C@H](NC(=O)CSCC#N)C(=O)[O-]	ZINC001588856247	984398074	/nfs/dbraw/zinc/39/80/74/984398074.db2.gz	DYBMIBITDLVJMM-QMMMGPOBSA-N	-1	0	258.299	0.015	20	30		CCEDRM
C=CCOC[C@@H](NC(=O)Cc1ccccc1CO)C(=O)[O-]	ZINC001588856478	984400370	/nfs/dbraw/zinc/40/03/70/984400370.db2.gz	JRGDOHWCKKKGLT-CYBMUJFWSA-N	-1	0	293.319	0.493	20	30		CCEDRM
C=CCOC[C@H](NC(=O)[C@H]1C[C@@H]1C(F)F)C(=O)[O-]	ZINC001588856791	984402008	/nfs/dbraw/zinc/40/20/08/984402008.db2.gz	PYEGSIHGEHHVPY-FXQIFTODSA-N	-1	0	263.240	0.660	20	30		CCEDRM
C=CCOC[C@H](NC(=O)c1ccc(C(=O)OC)[nH]1)C(=O)[O-]	ZINC001588859395	984405529	/nfs/dbraw/zinc/40/55/29/984405529.db2.gz	KFMHNLNAHONTNA-JTQLQIEISA-N	-1	0	296.279	0.187	20	30		CCEDRM
C=CCOC[C@@H](NC(=O)c1cnoc1C1CC1)C(=O)[O-]	ZINC001588859882	984409242	/nfs/dbraw/zinc/40/92/42/984409242.db2.gz	AEOLFHVBJPOZJP-SNVBAGLBSA-N	-1	0	280.280	0.938	20	30		CCEDRM
C=CCOC[C@H](NC(=O)c1cnc(F)c(C)c1)C(=O)[O-]	ZINC001588859943	984409641	/nfs/dbraw/zinc/40/96/41/984409641.db2.gz	CIDPNFGAXCXTHA-JTQLQIEISA-N	-1	0	282.271	0.915	20	30		CCEDRM
C=CCOC[C@@H](NC(=O)c1ncc2ccccn21)C(=O)[O-]	ZINC001588860081	984410658	/nfs/dbraw/zinc/41/06/58/984410658.db2.gz	IHCYJFLLMFBRLP-LLVKDONJSA-N	-1	0	289.291	0.720	20	30		CCEDRM
C=CCOC[C@H](NC(=O)c1ccc(Cl)nn1)C(=O)[O-]	ZINC001588862539	984419021	/nfs/dbraw/zinc/41/90/21/984419021.db2.gz	ZPALQDHYHPMHQI-QMMMGPOBSA-N	-1	0	285.687	0.516	20	30		CCEDRM
C=CCOC[C@H](NC1CC(CC(=O)[O-])C1)C(=O)OC	ZINC001588866087	984422369	/nfs/dbraw/zinc/42/23/69/984422369.db2.gz	JOBORXLBTUMLFC-ILDUYXDCSA-N	-1	0	271.313	0.574	20	30		CCEDRM
C=CCOC[C@H](NC[C@@H]1[C@H](C(=O)[O-])C1(F)F)C(=O)OC	ZINC001588866082	984422490	/nfs/dbraw/zinc/42/24/90/984422490.db2.gz	IZVHPJXQYFQRNN-HRDYMLBCSA-N	-1	0	293.266	0.286	20	30		CCEDRM
C=CCOC[C@H]1NC(=O)N([C@H]2C[C@@H](C(=O)[O-])[C@@H]3C[C@@H]32)C1=O	ZINC001588866654	984426702	/nfs/dbraw/zinc/42/67/02/984426702.db2.gz	OQOLWAXWTYNISC-QGKZMRNZSA-N	-1	0	294.307	0.219	20	30		CCEDRM
C=CCOCCNC(=O)C(=O)Nc1cc(C)[nH]c1C(=O)[O-]	ZINC001588868987	984436918	/nfs/dbraw/zinc/43/69/18/984436918.db2.gz	JNVQTQXETMNSOJ-UHFFFAOYSA-N	-1	0	295.295	0.279	20	30		CCEDRM
C=CCn1c(CO)nnc1N1C[C@@H](C)[C@H](C(=O)[O-])C1	ZINC001588901737	984525272	/nfs/dbraw/zinc/52/52/72/984525272.db2.gz	ZSUFLZNCYLQNEI-RKDXNWHRSA-N	-1	0	266.301	0.113	20	30		CCEDRM
C=CCn1cc(C(=O)NCc2ccc(C(=O)[O-])o2)nn1	ZINC001588910058	984547091	/nfs/dbraw/zinc/54/70/91/984547091.db2.gz	ILNLVIMFDWZTLY-UHFFFAOYSA-N	-1	0	276.252	0.685	20	30		CCEDRM
C=C[C@@H]1OCCC[C@H]1NC(=O)N1C[C@H]2[C@H](C(=O)[O-])[C@H]2C1	ZINC001588913402	984555176	/nfs/dbraw/zinc/55/51/76/984555176.db2.gz	BGCLHZLCZVLZJN-LVEVGFFFSA-N	-1	0	280.324	0.692	20	30		CCEDRM
C=C[C@@H]1OCCC[C@H]1NC(=O)NC[C@H]1CCO[C@H]1C(=O)[O-]	ZINC001588913472	984555668	/nfs/dbraw/zinc/55/56/68/984555668.db2.gz	DKYGMWKWZSKPSO-WISYIIOYSA-N	-1	0	298.339	0.509	20	30		CCEDRM
C=C[C@@H]1OCC[C@H]1C(=O)N[C@H](CCC(=O)[O-])C(=O)OC	ZINC001588916530	984561596	/nfs/dbraw/zinc/56/15/96/984561596.db2.gz	QLGBIYDYRKECLT-BBBLOLIVSA-N	-1	0	285.296	0.100	20	30		CCEDRM
C=C[C@@H]1OCC[C@H]1CNC(=O)NC[C@H]1C[C@H]1C(=O)[O-]	ZINC001588917963	984568800	/nfs/dbraw/zinc/56/88/00/984568800.db2.gz	MPDXDATVZNPTRX-ZDCRXTMVSA-N	-1	0	268.313	0.597	20	30		CCEDRM
C=C[C@H](CO)NC(=O)/C=C/c1cc(C(=O)[O-])co1	ZINC001588919946	984575364	/nfs/dbraw/zinc/57/53/64/984575364.db2.gz	PTAICOWJWDMQDQ-CDAZIORVSA-N	-1	0	251.238	0.654	20	30		CCEDRM
CC#CC[C@@H](CO)NC(=O)Nc1ccc(C(=O)[O-])nn1	ZINC001588926136	984591575	/nfs/dbraw/zinc/59/15/75/984591575.db2.gz	KRSKSNDCPRWXQS-QMMMGPOBSA-N	-1	0	278.268	0.071	20	30		CCEDRM
CC#CCCCC(=O)O[C@@H]1C[C@H](C(=O)[O-])N(C)C1	ZINC001588926878	984594455	/nfs/dbraw/zinc/59/44/55/984594455.db2.gz	BDQRVUYRRBZDMG-GHMZBOCLSA-N	-1	0	253.298	0.881	20	30		CCEDRM
CC#CCCCC(=O)O[C@H]1CCN(CCC(=O)[O-])C1=O	ZINC001588926912	984595120	/nfs/dbraw/zinc/59/51/20/984595120.db2.gz	CFFMTJITJXONAL-NSHDSACASA-N	-1	0	281.308	0.799	20	30		CCEDRM
CC#CCCNC(=O)C(=O)Nc1cccc(F)c1C(=O)[O-]	ZINC001588927444	984599269	/nfs/dbraw/zinc/59/92/69/984599269.db2.gz	YPWDNMBWTIPDPP-UHFFFAOYSA-N	-1	0	292.266	0.992	20	30		CCEDRM
CC#CCNC(=O)C(=O)Nc1ccc(C)c(C(=O)[O-])c1	ZINC001588931538	984603410	/nfs/dbraw/zinc/60/34/10/984603410.db2.gz	ZKZXVMCZNUKCBU-UHFFFAOYSA-N	-1	0	274.276	0.771	20	30		CCEDRM
C[C@H](NS(=O)(=O)c1ccccc1CC#N)C(=O)[O-]	ZINC001599901429	984837490	/nfs/dbraw/zinc/83/74/90/984837490.db2.gz	AJAMAFAPHGEHNA-QMMMGPOBSA-N	-1	0	268.294	0.504	20	30		CCEDRM
CCOC[C@@H](C(=O)[O-])N(C)C(=O)Cc1ccc(C#N)nc1	ZINC001596872676	985707894	/nfs/dbraw/zinc/70/78/94/985707894.db2.gz	OLCUDZDPNFSZGR-LBPRGKRZSA-N	-1	0	291.307	0.444	20	30		CCEDRM
Cc1c(C(=O)N(CC#N)CC(=O)[O-])cnn1-c1ccncc1	ZINC001599975589	986084739	/nfs/dbraw/zinc/08/47/39/986084739.db2.gz	IRJWCKKYECEECP-UHFFFAOYSA-N	-1	0	299.290	0.626	20	30		CCEDRM
C[C@@H](C#N)CN(C)C(=O)C(=O)Nc1cccc(C(=O)[O-])n1	ZINC001589330065	986169195	/nfs/dbraw/zinc/16/91/95/986169195.db2.gz	XTPFZACWTGXHTG-QMMMGPOBSA-N	-1	0	290.279	0.336	20	30		CCEDRM
C[C@@H](C#N)CN(CCC(=O)NCC(=O)[O-])C1CC1	ZINC001589330570	986174720	/nfs/dbraw/zinc/17/47/20/986174720.db2.gz	JVPAOVKTJVGBLV-VIFPVBQESA-N	-1	0	253.302	0.201	20	30		CCEDRM
C[C@@H](C#N)CNN=C1CCCn2nc(C(=O)[O-])cc21	ZINC001589330535	986174764	/nfs/dbraw/zinc/17/47/64/986174764.db2.gz	JCURCSVWNQBJCG-QMMMGPOBSA-N	-1	0	261.285	0.828	20	30		CCEDRM
C[C@@H](C#N)CNC(=O)C(=O)Nc1ccc(F)c(C(=O)[O-])c1	ZINC001589330691	986177336	/nfs/dbraw/zinc/17/73/36/986177336.db2.gz	NOXORAYYZDVXJT-ZETCQYMHSA-N	-1	0	293.254	0.738	20	30		CCEDRM
CCOc1cc(C(=O)NO)ccc1OCC(=O)[O-]	ZINC001597005847	986331841	/nfs/dbraw/zinc/33/18/41/986331841.db2.gz	LCXSSVNYKURWAD-UHFFFAOYSA-N	-1	0	255.226	0.668	20	30		CCEDRM
C[C@H](C(=O)N[C@@H]1CCC[C@H]1CC(=O)[O-])n1cnc(C#N)n1	ZINC001589424520	986693975	/nfs/dbraw/zinc/69/39/75/986693975.db2.gz	YNDIQVFDNORUCQ-KXUCPTDWSA-N	-1	0	291.311	0.470	20	30		CCEDRM
CC(C)(C)C#CC(=O)NCCn1cc(C(=O)[O-])nn1	ZINC001589684798	987722602	/nfs/dbraw/zinc/72/26/02/987722602.db2.gz	LEXOPHAYJCHOQX-UHFFFAOYSA-N	-1	0	264.285	0.142	20	30		CCEDRM
CC(C)(C)OC(=O)C1(C(=O)N(CC#N)CCC(=O)[O-])CC1	ZINC001589844045	988353016	/nfs/dbraw/zinc/35/30/16/988353016.db2.gz	LHGKAOFMTZWZIE-UHFFFAOYSA-N	-1	0	296.323	0.935	20	30		CCEDRM
CCc1nnc([C@@H](C)N(CC#N)CCC(=O)[O-])[nH]1	ZINC001597644325	988651534	/nfs/dbraw/zinc/65/15/34/988651534.db2.gz	LWRYJMILWCVMNF-MRVPVSSYSA-N	-1	0	251.290	0.728	20	30		CCEDRM
C[C@@H]1C[C@H](C(=O)N[C@@H](C#N)C2CC2)O[C@H]1C(=O)[O-]	ZINC001599874059	989394965	/nfs/dbraw/zinc/39/49/65/989394965.db2.gz	RVJUXOITANBDEK-XCWAXFADSA-N	-1	0	252.270	0.283	20	30		CCEDRM
CCn1cnc(/C=C\C(=O)c2cn(CC(=O)[O-])nn2)c1	ZINC001597916418	989835341	/nfs/dbraw/zinc/83/53/41/989835341.db2.gz	GQTNHYPSTNOLJO-ARJAWSKDSA-N	-1	0	275.268	0.475	20	30		CCEDRM
CCn1ncc(/C=C2\CCn3nc(C(=O)[O-])cc3C2=O)n1	ZINC001597956772	989964353	/nfs/dbraw/zinc/96/43/53/989964353.db2.gz	AJZUJRZMFVTAOA-VMPITWQZSA-N	-1	0	287.279	0.863	20	30		CCEDRM
CCn1ncn(N=Cc2cc(C)c(C(=O)[O-])o2)c1=O	ZINC001597967921	990010449	/nfs/dbraw/zinc/01/04/49/990010449.db2.gz	HTCMYYHFJKFEET-UHFFFAOYSA-N	-1	0	264.241	0.547	20	30		CCEDRM
CN(C(=O)[C@H](O)c1ccc(C#N)cc1)[C@H]1C[C@@H](C(=O)[O-])C1	ZINC001597991664	990096876	/nfs/dbraw/zinc/09/68/76/990096876.db2.gz	SHEQIDUIURTCQI-FRRDWIJNSA-N	-1	0	288.303	0.913	20	30		CCEDRM
CN(C(=O)Cn1cc(C(=O)[O-])nn1)[C@@H]1CCC[C@H]1C#N	ZINC001598041807	990277288	/nfs/dbraw/zinc/27/72/88/990277288.db2.gz	ZNAJVIMKUQWOKG-WCBMZHEXSA-N	-1	0	277.284	0.127	20	30		CCEDRM
CC(C)(NS(=O)(=O)c1cccc(C#N)c1)[C@H](O)C(=O)[O-]	ZINC001590879953	990796620	/nfs/dbraw/zinc/79/66/20/990796620.db2.gz	XKIWSUMRKVIUIN-SNVBAGLBSA-N	-1	0	298.320	0.061	20	30		CCEDRM
CC(C)C#CC(=O)NCCCNc1ncc(C(=O)[O-])cn1	ZINC001590928255	990941649	/nfs/dbraw/zinc/94/16/49/990941649.db2.gz	YSKLMEBPXINMSG-UHFFFAOYSA-N	-1	0	290.323	0.752	20	30		CCEDRM
COc1nc(C)ccc1C(=O)N(CC#N)CCC(=O)[O-]	ZINC001599730787	991707895	/nfs/dbraw/zinc/70/78/95/991707895.db2.gz	ZTICSSZCEZNHJE-UHFFFAOYSA-N	-1	0	277.280	0.839	20	30		CCEDRM
CN(CC(C)(C)C#N)S(=O)(=O)c1cc(C(=O)[O-])cn1C	ZINC001598420275	991756511	/nfs/dbraw/zinc/75/65/11/991756511.db2.gz	VCFKPBLUUYSQKK-UHFFFAOYSA-N	-1	0	299.352	0.894	20	30		CCEDRM
CC(C)C[C@@H](NC(=O)CN1CC[C@@](C)(C#N)C1)C(=O)[O-]	ZINC001591167680	991937051	/nfs/dbraw/zinc/93/70/51/991937051.db2.gz	KXBZGRRDPOYLBQ-RISCZKNCSA-N	-1	0	281.356	0.837	20	30		CCEDRM
CC(C)N1CC[C@H](N(CC#N)CCC(=O)[O-])C1=O	ZINC001591619056	992886642	/nfs/dbraw/zinc/88/66/42/992886642.db2.gz	ZDHLRWZOFMLSKP-JTQLQIEISA-N	-1	0	253.302	0.296	20	30		CCEDRM
CN1CC[C@@H](CNc2ccc(C(=O)[O-])nc2C#N)CC1=O	ZINC001598584310	993360186	/nfs/dbraw/zinc/36/01/86/993360186.db2.gz	XIJPLLDYDXPYLB-SECBINFHSA-N	-1	0	288.307	0.932	20	30		CCEDRM
CN1CN([C@@H](C(=O)[O-])c2ccc(C#N)cc2)CC1=O	ZINC001598628159	994131559	/nfs/dbraw/zinc/13/15/59/994131559.db2.gz	LSFBQRSNSWTFDF-GFCCVEGCSA-N	-1	0	259.265	0.415	20	30		CCEDRM
CNC(=O)[C@@H]1CCCN(c2ccc(C(=O)[O-])nc2C#N)C1	ZINC001598638603	994281537	/nfs/dbraw/zinc/28/15/37/994281537.db2.gz	CDLDVSJEVFCWRQ-SECBINFHSA-N	-1	0	288.307	0.614	20	30		CCEDRM
C[C@](NS(=O)(=O)c1ccc(C#N)o1)(C(=O)[O-])C1CC1	ZINC001593333887	994907017	/nfs/dbraw/zinc/90/70/17/994907017.db2.gz	IOTNUGPVCWDOQC-LLVKDONJSA-N	-1	0	284.293	0.683	20	30		CCEDRM
CNc1ncccc1C(=O)N(CC#N)CCC(=O)[O-]	ZINC001598682068	994944929	/nfs/dbraw/zinc/94/49/29/994944929.db2.gz	STKSMXZKVTUQBY-UHFFFAOYSA-N	-1	0	262.269	0.564	20	30		CCEDRM
COC(=O)[C@H](CCC(=O)[O-])N1CC[C@](F)(C#N)C1	ZINC001598696992	995155696	/nfs/dbraw/zinc/15/56/96/995155696.db2.gz	COQJEQFIZMRAQS-KWQFWETISA-N	-1	0	258.249	0.330	20	30		CCEDRM
C[C@H](OC(=O)CC1(C#N)CCOCC1)C(=O)C(=O)[O-]	ZINC001593516351	995546190	/nfs/dbraw/zinc/54/61/90/995546190.db2.gz	QYKIXLKFMXXLRP-QMMMGPOBSA-N	-1	0	269.253	0.282	20	30		CCEDRM
COC(=O)[C@@H]1C[C@H](C(=O)[O-])CCN1CCCC#N	ZINC001598754794	995700481	/nfs/dbraw/zinc/70/04/81/995700481.db2.gz	YUQHZHPRYBIQBZ-ZJUUUORDSA-N	-1	0	254.286	0.628	20	30		CCEDRM
COC(=O)[C@@H]1CC[C@H](C(=O)[O-])N(C(=O)CC2(C#N)CC2)C1	ZINC001598779664	995970418	/nfs/dbraw/zinc/97/04/18/995970418.db2.gz	WYXJUVLALRWSKL-NXEZZACHSA-N	-1	0	294.307	0.545	20	30		CCEDRM
COC(=O)[C@@H]1CN(c2cc(C#N)ccn2)C[C@H]1C(=O)[O-]	ZINC001598827955	996404935	/nfs/dbraw/zinc/40/49/35/996404935.db2.gz	OVYKHQBPKFRNAE-NXEZZACHSA-N	-1	0	275.264	0.263	20	30		CCEDRM
COC(=O)CN(CCCSCC#N)CC(=O)[O-]	ZINC001598862125	996682951	/nfs/dbraw/zinc/68/29/51/996682951.db2.gz	BIZWGQWRQJWRQS-UHFFFAOYSA-N	-1	0	260.315	0.193	20	30		CCEDRM
COC1(CNC(=O)N2CCC(C#N)(C(=O)[O-])CC2)CCC1	ZINC001599089417	997161990	/nfs/dbraw/zinc/16/19/90/997161990.db2.gz	MWMBCMODRGWAKF-UHFFFAOYSA-N	-1	0	295.339	0.955	20	30		CCEDRM
CON(C(=O)c1cnn(CCC#N)c1C)[C@H](C)CC(=O)[O-]	ZINC001599311889	997430577	/nfs/dbraw/zinc/43/05/77/997430577.db2.gz	ANNSXKOOJHMGPI-SECBINFHSA-N	-1	0	294.311	0.972	20	30		CCEDRM
CON=CC(=O)N[C@H](C(=O)[O-])c1ccc(OC)c(O)c1	ZINC001599320866	997579032	/nfs/dbraw/zinc/57/90/32/997579032.db2.gz	UNJHGRPZXYDQLC-NSHDSACASA-N	-1	0	282.252	0.275	20	30		CCEDRM
COCC[C@H](NC(=O)c1ccc(C#N)s1)C(=O)[O-]	ZINC001599216111	997585242	/nfs/dbraw/zinc/58/52/42/997585242.db2.gz	JPGWVJWMDOHHSP-QMMMGPOBSA-N	-1	0	268.294	0.839	20	30		CCEDRM
COC(=O)c1cc(C(=O)[O-])nn1CCO[C@H](C)C#N	ZINC001598925731	997643746	/nfs/dbraw/zinc/64/37/46/997643746.db2.gz	XBPMJOPUJKJYAA-SSDOTTSWSA-N	-1	0	267.241	0.297	20	30		CCEDRM
COCCN(CC#N)C(=O)c1oc(C(=O)[O-])cc1C	ZINC001599231452	997863760	/nfs/dbraw/zinc/86/37/60/997863760.db2.gz	UBCZZSKSBJANSI-UHFFFAOYSA-N	-1	0	266.253	0.898	20	30		CCEDRM
COc1ccc(CC(=O)N(CC#N)CCC(=O)[O-])nc1	ZINC001599546880	997937862	/nfs/dbraw/zinc/93/78/62/997937862.db2.gz	BSYBNHYFBAOIAE-UHFFFAOYSA-N	-1	0	277.280	0.460	20	30		CCEDRM
COc1cc(C#N)ccc1C[NH2+][C@H]1CCO[C@H]1C(=O)[O-]	ZINC001599348422	998050021	/nfs/dbraw/zinc/05/00/21/998050021.db2.gz	XCILZZGFKLGCPY-WCQYABFASA-N	-1	0	276.292	0.899	20	30		CCEDRM
COc1cc(C#N)cc(OCc2cn(CC(=O)[O-])nn2)c1	ZINC001599349587	998069963	/nfs/dbraw/zinc/06/99/63/998069963.db2.gz	WLPUWRCMMOYOLV-UHFFFAOYSA-N	-1	0	288.263	0.822	20	30		CCEDRM
COC[C@](C)(CC(=O)[O-])NC(=O)Nc1ccc(C#N)cn1	ZINC001599146904	998228065	/nfs/dbraw/zinc/22/80/65/998228065.db2.gz	KAEXTZJNPTZJEG-ZDUSSCGKSA-N	-1	0	292.295	0.955	20	30		CCEDRM
COC[C@@](C)(CC(=O)[O-])NC(=O)Nc1ccc(C#N)cn1	ZINC001599146903	998228602	/nfs/dbraw/zinc/22/86/02/998228602.db2.gz	KAEXTZJNPTZJEG-CYBMUJFWSA-N	-1	0	292.295	0.955	20	30		CCEDRM
COCCc1noc(CN(CC#N)CCC(=O)[O-])n1	ZINC001599264137	998438546	/nfs/dbraw/zinc/43/85/46/998438546.db2.gz	ABZDUQRLBSTLNC-UHFFFAOYSA-N	-1	0	268.273	0.059	20	30		CCEDRM
COC[C@H](CNC(=O)N1CCC(C#N)(C(=O)[O-])CC1)OC	ZINC001599163225	998493756	/nfs/dbraw/zinc/49/37/56/998493756.db2.gz	BVVADFFEFSAOAZ-JTQLQIEISA-N	-1	0	299.327	0.048	20	30		CCEDRM
COC(=O)c1ccc(NC[C@H](F)C(=O)[O-])c(C#N)n1	ZINC001598983961	998683803	/nfs/dbraw/zinc/68/38/03/998683803.db2.gz	CCZPEUVMUYGHGY-LURJTMIESA-N	-1	0	267.216	0.574	20	30		CCEDRM
CC1CC(C#N)(C(=O)NC[C@]2(C(=O)[O-])CCOC2)C1	ZINC001594200404	998773922	/nfs/dbraw/zinc/77/39/22/998773922.db2.gz	ICSKZDAWSOEUJD-BKDHPRRPSA-N	-1	0	266.297	0.534	20	30		CCEDRM
N#Cc1ccc(S(=O)(=O)N[C@@H]2C=C[C@H](C(=O)[O-])C2)cc1	ZINC000092181580	349484610	/nfs/dbraw/zinc/48/46/10/349484610.db2.gz	YZIPLHUTBMPGSJ-WDEREUQCSA-N	-1	0	292.316	0.866	20	30		CCEDRM
N#Cc1cc(F)ccc1N1CCO[C@H](C(=O)[O-])C1	ZINC000111026065	349764995	/nfs/dbraw/zinc/76/49/95/349764995.db2.gz	PJNYUVGBNQBPOQ-NSHDSACASA-N	-1	0	250.229	0.987	20	30		CCEDRM
CN([C@H]1C[C@@H](C(=O)[O-])C1)S(=O)(=O)CCCC#N	ZINC000600657503	362027083	/nfs/dbraw/zinc/02/70/83/362027083.db2.gz	JFSYRPOKSMARTI-DTORHVGOSA-N	-1	0	260.315	0.415	20	30		CCEDRM
C[S@](=O)C1(C(=O)[O-])CCN(c2cccc(C#N)n2)CC1	ZINC000600677247	362031634	/nfs/dbraw/zinc/03/16/34/362031634.db2.gz	BQWYQANCJPABRM-FQEVSTJZSA-N	-1	0	293.348	0.755	20	30		CCEDRM
C=C(C)C[C@@H](NC(=O)c1c([N+](=O)[O-])cnn1C)C(=O)[O-]	ZINC000600872001	362084165	/nfs/dbraw/zinc/08/41/65/362084165.db2.gz	GRYJLBVJRNTIAQ-SSDOTTSWSA-N	-1	0	282.256	0.478	20	30		CCEDRM
CCc1n[n-]c(=NC(=O)c2ccc(C#N)n2C)s1	ZINC000448762861	529694137	/nfs/dbraw/zinc/69/41/37/529694137.db2.gz	UMWUSHMRSLKEPM-UHFFFAOYSA-N	-1	0	261.310	0.985	20	30		CCEDRM
C[C@H](C#N)CNS(=O)(=O)c1cc([O-])cc(F)c1	ZINC000601360110	362244188	/nfs/dbraw/zinc/24/41/88/362244188.db2.gz	UTBKOKBMPKGEEQ-SSDOTTSWSA-N	-1	0	258.274	0.969	20	30		CCEDRM
C#CCO[C@@H](C)C(=O)N[C@@H](CCC)c1nnn[n-]1	ZINC000295076690	199333868	/nfs/dbraw/zinc/33/38/68/199333868.db2.gz	WKNFYLOPFSYNAL-IUCAKERBSA-N	-1	0	251.290	0.195	20	30		CCEDRM
N#Cc1c[n-][nH]c1=NC(=O)c1cnc2n1CCCC2	ZINC000601638367	362335530	/nfs/dbraw/zinc/33/55/30/362335530.db2.gz	HDURPPNPYUMXFH-UHFFFAOYSA-N	-1	0	256.269	0.488	20	30		CCEDRM
CCCN(CCC)C(=O)CCn1cc(C#N)c(=O)[n-]c1=O	ZINC000602026777	362462412	/nfs/dbraw/zinc/46/24/12/362462412.db2.gz	NYKIFMUAYKUINO-UHFFFAOYSA-N	-1	0	292.339	0.859	20	30		CCEDRM
CCCCN(C)C(=O)Cn1cc(C#N)c(=O)[n-]c1=O	ZINC000602047869	362468657	/nfs/dbraw/zinc/46/86/57/362468657.db2.gz	YILBMRIVIKCYRM-UHFFFAOYSA-N	-1	0	264.285	0.079	20	30		CCEDRM
C[C@@H]1CCN(C(=O)CCn2cc(C#N)c(=O)[n-]c2=O)C1	ZINC000602091081	362480486	/nfs/dbraw/zinc/48/04/86/362480486.db2.gz	ZSPUKTPWBJOXHE-SECBINFHSA-N	-1	0	276.296	0.079	20	30		CCEDRM
N#Cc1ccc(CCC(=O)NCc2n[nH]c(=O)[n-]2)cc1	ZINC000358357775	232087298	/nfs/dbraw/zinc/08/72/98/232087298.db2.gz	ONMBJAZWUIKLOB-UHFFFAOYSA-N	-1	0	271.280	0.631	20	30		CCEDRM
C[C@H]1C[C@H](C)N(C(=O)Cn2cc(C#N)c(=O)[n-]c2=O)C1	ZINC000602113679	362496404	/nfs/dbraw/zinc/49/64/04/362496404.db2.gz	XTBRWSVRQQCPIM-IUCAKERBSA-N	-1	0	276.296	0.077	20	30		CCEDRM
CC[C@H]1[C@H](C)CCN1C(=O)Cn1cc(C#N)c(=O)[n-]c1=O	ZINC000602136698	362515570	/nfs/dbraw/zinc/51/55/70/362515570.db2.gz	BBSSWSXUIZKTGL-KOLCDFICSA-N	-1	0	290.323	0.468	20	30		CCEDRM
N#Cc1cn(CC(=O)N2CC[C@H]3CCC[C@H]32)c(=O)[n-]c1=O	ZINC000602138887	362519461	/nfs/dbraw/zinc/51/94/61/362519461.db2.gz	KGJYBYBHOQRAHS-MWLCHTKSSA-N	-1	0	288.307	0.222	20	30		CCEDRM
C[C@H]1CC[C@H](C)N1C(=O)Cn1cc(C#N)c(=O)[n-]c1=O	ZINC000602122486	362505707	/nfs/dbraw/zinc/50/57/07/362505707.db2.gz	ZTYMUTLOVBLDQE-IUCAKERBSA-N	-1	0	276.296	0.220	20	30		CCEDRM
CCN(CC(C)(C)C)C(=O)Cn1cc(C#N)c(=O)[n-]c1=O	ZINC000602152783	362528375	/nfs/dbraw/zinc/52/83/75/362528375.db2.gz	IFNZXQSEVMHPDN-UHFFFAOYSA-N	-1	0	292.339	0.715	20	30		CCEDRM
CC(C)(C)C1CN(C(=O)Cn2cc(C#N)c(=O)[n-]c2=O)C1	ZINC000602158552	362533396	/nfs/dbraw/zinc/53/33/96/362533396.db2.gz	MGYKYPAPRQWOCZ-UHFFFAOYSA-N	-1	0	290.323	0.325	20	30		CCEDRM
CC(C)[C@H](CNS(=O)(=O)c1cncc(C#N)c1)C(=O)[O-]	ZINC000290729077	197799976	/nfs/dbraw/zinc/79/99/76/197799976.db2.gz	VWVDOADXRRDXEP-NSHDSACASA-N	-1	0	297.336	0.588	20	30		CCEDRM
Cc1nnc([N-]S(=O)(=O)c2cncc(C#N)c2)s1	ZINC000311120817	137074011	/nfs/dbraw/zinc/07/40/11/137074011.db2.gz	HDNVUAAVSQIDSK-UHFFFAOYSA-N	-1	0	281.322	0.914	20	30		CCEDRM
Cc1nn(C)cc1S(=O)(=O)[N-]c1n[nH]cc1C#N	ZINC000342467568	137095798	/nfs/dbraw/zinc/09/57/98/137095798.db2.gz	XCTGVFRZDHDQQF-UHFFFAOYSA-N	-1	0	266.286	0.124	20	30		CCEDRM
N#Cc1nc(NC(=O)c2cccc(C(N)=O)c2)[n-]c1C#N	ZINC000026266462	348093888	/nfs/dbraw/zinc/09/38/88/348093888.db2.gz	URUXNKFYRRQMAW-UHFFFAOYSA-N	-1	0	280.247	0.504	20	30		CCEDRM
Cn1cc(C#N)c(=NC(=O)N2CCO[C@H](CCF)C2)[n-]1	ZINC000602885030	362864730	/nfs/dbraw/zinc/86/47/30/362864730.db2.gz	YEGDLOSLAHPRFM-SNVBAGLBSA-N	-1	0	281.291	0.306	20	30		CCEDRM
C[C@@H]1CCN(C(=O)N=c2[n-]n(C)cc2C#N)C[C@H](C)O1	ZINC000602885557	362865064	/nfs/dbraw/zinc/86/50/64/362865064.db2.gz	FZKPWLDSGWMTKJ-ZJUUUORDSA-N	-1	0	277.328	0.745	20	30		CCEDRM
C[C@@H](O)CN(C(=O)N=c1[n-]n(C)cc1C#N)C1CC1	ZINC000602889145	362867447	/nfs/dbraw/zinc/86/74/47/362867447.db2.gz	XHOBMJMEPVDSSV-MRVPVSSYSA-N	-1	0	263.301	0.091	20	30		CCEDRM
CC(C)n1cc(C#N)c(=NC(=O)c2ccc(=O)n(C)c2)[n-]1	ZINC000345152124	137237412	/nfs/dbraw/zinc/23/74/12/137237412.db2.gz	AHMWLMRKCDZUFQ-UHFFFAOYSA-N	-1	0	285.307	0.709	20	30		CCEDRM
CC(C)n1cc(C#N)c(=NC(=O)[C@@H]2CC(=O)N(C)C2)[n-]1	ZINC000345200015	137239176	/nfs/dbraw/zinc/23/91/76/137239176.db2.gz	GNUHWOUSOQYOCU-SECBINFHSA-N	-1	0	275.312	0.174	20	30		CCEDRM
N#Cc1cccc(NC(=O)N2CCO[C@H](C(=O)[O-])C2)c1	ZINC000043702756	348312473	/nfs/dbraw/zinc/31/24/73/348312473.db2.gz	ZZRUPJXZQRQWFZ-NSHDSACASA-N	-1	0	275.264	0.876	20	30		CCEDRM
COCC[C@@H](NS(=O)(=O)c1ccccc1C#N)C(=O)[O-]	ZINC000052785966	348514587	/nfs/dbraw/zinc/51/45/87/348514587.db2.gz	IIYZASHGLXWIOJ-SNVBAGLBSA-N	-1	0	298.320	0.326	20	30		CCEDRM
N#Cc1cccc(CS(=O)(=O)N[C@H](C(=O)[O-])C2CC2)c1	ZINC000054504989	348558505	/nfs/dbraw/zinc/55/85/05/348558505.db2.gz	NIANVKXRZAEWEJ-LBPRGKRZSA-N	-1	0	294.332	0.841	20	30		CCEDRM
C[C@H](OC[C@H]1CCCO1)C(=O)Nc1nc(C#N)c(C#N)[n-]1	ZINC000069127826	348832378	/nfs/dbraw/zinc/83/23/78/348832378.db2.gz	WHPFLQIFPGQNBP-DTWKUNHWSA-N	-1	0	289.295	0.676	20	30		CCEDRM
N#Cc1ccc([N+](=O)[O-])c(N2CCO[C@@H](C(=O)[O-])C2)c1	ZINC000124596161	350102143	/nfs/dbraw/zinc/10/21/43/350102143.db2.gz	VPJGOFSIQYJJOW-LLVKDONJSA-N	-1	0	277.236	0.756	20	30		CCEDRM
N#C[C@@H]1CN(C(=O)NCC2(C(=O)[O-])CCC2)CCO1	ZINC000138696805	350443534	/nfs/dbraw/zinc/44/35/34/350443534.db2.gz	DBPOCYRGAMFTTA-SECBINFHSA-N	-1	0	267.285	0.175	20	30		CCEDRM
N#Cc1ccc(S(=O)(=O)[N-]c2cnoc2)cn1	ZINC000165002283	350786080	/nfs/dbraw/zinc/78/60/80/350786080.db2.gz	UYTXBUPIWIPVAJ-UHFFFAOYSA-N	-1	0	250.239	0.742	20	30		CCEDRM
N#Cc1ccc(S(=O)(=O)NCC(=O)[O-])cc1Cl	ZINC000168593996	350829464	/nfs/dbraw/zinc/82/94/64/350829464.db2.gz	BGGUCWBMRXJFGT-UHFFFAOYSA-N	-1	0	274.685	0.575	20	30		CCEDRM
N#Cc1ccc2c(c1)CC[C@H]2N=c1ccc(C(N)=O)n[n-]1	ZINC000618693901	366076786	/nfs/dbraw/zinc/07/67/86/366076786.db2.gz	TVMWVPREUDKUKS-GFCCVEGCSA-N	-1	0	279.303	0.968	20	30		CCEDRM
CO[C@@H](CNC(=O)COc1ccc(C#N)cc1)C(=O)[O-]	ZINC000227279925	352043092	/nfs/dbraw/zinc/04/30/92/352043092.db2.gz	XARAMBJCWIZCCM-NSHDSACASA-N	-1	0	278.264	0.153	20	30		CCEDRM
Cc1cc(C#N)ccc1S(=O)(=O)N(C)[C@@H](C)C(=O)[O-]	ZINC000230275843	352110780	/nfs/dbraw/zinc/11/07/80/352110780.db2.gz	BBVRXLADGSNQNF-VIFPVBQESA-N	-1	0	282.321	0.960	20	30		CCEDRM
Cc1cc(S(=O)(=O)N[C@H](C)C(=O)[O-])ccc1C#N	ZINC000235190965	352181117	/nfs/dbraw/zinc/18/11/17/352181117.db2.gz	WNFMIXXAFSYGGF-MRVPVSSYSA-N	-1	0	268.294	0.618	20	30		CCEDRM
Cc1cc(S(=O)(=O)[N-]c2nnn(C)n2)ccc1C#N	ZINC000235906828	352189240	/nfs/dbraw/zinc/18/92/40/352189240.db2.gz	ZNENRVWTDWZBKB-UHFFFAOYSA-N	-1	0	278.297	0.191	20	30		CCEDRM
N#Cc1csc(C(=O)NCCc2n[n-]c(=N)o2)c1	ZINC000355029909	137605835	/nfs/dbraw/zinc/60/58/35/137605835.db2.gz	ICLSPVKLXDQFKA-UHFFFAOYSA-N	-1	0	263.282	0.388	20	30		CCEDRM
CC[C@@H](NS(=O)(=O)c1ccc(F)cc1C#N)C(=O)[O-]	ZINC000270508850	352941910	/nfs/dbraw/zinc/94/19/10/352941910.db2.gz	OTBGABRBGAQOEV-SECBINFHSA-N	-1	0	286.284	0.839	20	30		CCEDRM
CC[C@H](NS(=O)(=O)c1ccc(C#N)o1)C(=O)[O-]	ZINC000287195577	353631417	/nfs/dbraw/zinc/63/14/17/353631417.db2.gz	LGZXNOQWFGSPLL-ZETCQYMHSA-N	-1	0	258.255	0.293	20	30		CCEDRM
Cn1cc(C#N)c(=NC(=O)c2cn3c(n2)CCCC3)[n-]1	ZINC000328598030	354232962	/nfs/dbraw/zinc/23/29/62/354232962.db2.gz	AVVDENBZVCWPJK-UHFFFAOYSA-N	-1	0	270.296	0.499	20	30		CCEDRM
C[C@@H](CC(=O)[O-])NC(=O)CNc1cccc(C#N)c1	ZINC000427749930	235379191	/nfs/dbraw/zinc/37/91/91/235379191.db2.gz	VYPXTMOIHMZHOI-VIFPVBQESA-N	-1	0	261.281	0.950	20	30		CCEDRM
C[C@H](Oc1cccnc1)C(=O)N=c1[n-]n(C)cc1C#N	ZINC000361919942	138038434	/nfs/dbraw/zinc/03/84/34/138038434.db2.gz	QLAPWODLKWKUPK-VIFPVBQESA-N	-1	0	271.280	0.515	20	30		CCEDRM
N#Cc1ccc(N2CCC[C@@H]2C(=O)NCc2nnn[n-]2)cc1	ZINC000609531895	363502644	/nfs/dbraw/zinc/50/26/44/363502644.db2.gz	ANHAXZFAIZIYHV-GFCCVEGCSA-N	-1	0	297.322	0.357	20	30		CCEDRM
Cc1cccc(S(=O)(=O)[N-]c2cn(C)nn2)c1C#N	ZINC000359558160	356844144	/nfs/dbraw/zinc/84/41/44/356844144.db2.gz	FOLQHTBFTPDKDV-UHFFFAOYSA-N	-1	0	277.309	0.796	20	30		CCEDRM
CC(=O)Nc1ccc(C(=O)N=c2[n-]n(C)cc2C#N)nc1	ZINC000360046646	356940370	/nfs/dbraw/zinc/94/03/70/356940370.db2.gz	XIHLTYKUBSCCNH-UHFFFAOYSA-N	-1	0	284.279	0.319	20	30		CCEDRM
N#Cc1ccc(OCC(=O)NCc2n[nH]c(=O)[n-]2)cc1	ZINC000359795950	356895763	/nfs/dbraw/zinc/89/57/63/356895763.db2.gz	FDGXDWSXSFXMRO-UHFFFAOYSA-N	-1	0	273.252	0.077	20	30		CCEDRM
COCC[C@H](C)NC(=O)N=c1[n-]n(C)cc1C#N	ZINC000610528035	363572867	/nfs/dbraw/zinc/57/28/67/363572867.db2.gz	HWXRUIDKUNPRKH-QMMMGPOBSA-N	-1	0	251.290	0.260	20	30		CCEDRM
COCCN(CCC#N)C(=O)N=c1[n-]n(C)cc1C#N	ZINC000610561591	363576102	/nfs/dbraw/zinc/57/61/02/363576102.db2.gz	YITOKDUEOJHVMS-UHFFFAOYSA-N	-1	0	276.300	0.108	20	30		CCEDRM
Cc1ncsc1CNC(=O)N=c1[n-]n(C)cc1C#N	ZINC000610564796	363579796	/nfs/dbraw/zinc/57/97/96/363579796.db2.gz	SENMOBNFZQXJIY-UHFFFAOYSA-N	-1	0	276.325	0.800	20	30		CCEDRM
CC[C@@H]1C[C@H](C(=O)N=c2[n-]n(C)cc2C#N)CCO1	ZINC000408154030	357942951	/nfs/dbraw/zinc/94/29/51/357942951.db2.gz	HRHGETFLRULSLK-MWLCHTKSSA-N	-1	0	262.313	0.857	20	30		CCEDRM
C#CCN(C)C(=O)C(=O)N=c1ncn(C2CCCCC2)[n-]1	ZINC000491474237	358294718	/nfs/dbraw/zinc/29/47/18/358294718.db2.gz	LEMPWPMVSYGSDH-UHFFFAOYSA-N	-1	0	289.339	0.235	20	30		CCEDRM
Cn1cc(C#N)c(=NC(=O)N[C@@H]2CCC[C@@H]3OCC[C@H]32)[n-]1	ZINC000610767524	363611209	/nfs/dbraw/zinc/61/12/09/363611209.db2.gz	XWLJYIKZFCDADO-TUAOUCFPSA-N	-1	0	289.339	0.793	20	30		CCEDRM
CN(CC(C)(C)C(=O)[O-])S(=O)(=O)c1cncc(C#N)c1	ZINC000567803990	358588814	/nfs/dbraw/zinc/58/88/14/358588814.db2.gz	GUDZXDWNZMPXBX-UHFFFAOYSA-N	-1	0	297.336	0.685	20	30		CCEDRM
C=CCC[C@H](NS(=O)(=O)C[C@@H]1CCOC1)C(=O)[O-]	ZINC000572337299	358928777	/nfs/dbraw/zinc/92/87/77/358928777.db2.gz	OZPBBBWPBORMFM-ZJUUUORDSA-N	-1	0	277.342	0.362	20	30		CCEDRM
CC(C)N([C@@H](C)C(=O)[O-])S(=O)(=O)N(C)C[C@H](C)C#N	ZINC000580837155	359099928	/nfs/dbraw/zinc/09/99/28/359099928.db2.gz	NSCZIHWKVVVBGS-ZJUUUORDSA-N	-1	0	291.373	0.506	20	30		CCEDRM
CN(CCOC(C)(C)C)C(=O)N=c1[n-]n(C)cc1C#N	ZINC000610876636	363624878	/nfs/dbraw/zinc/62/48/78/363624878.db2.gz	IEPLVLWYOGEHRK-UHFFFAOYSA-N	-1	0	279.344	0.992	20	30		CCEDRM
C=CC[C@@H](CO)CNC(=O)NC[C@@H](C(=O)[O-])C(C)C	ZINC000655894887	412683887	/nfs/dbraw/zinc/68/38/87/412683887.db2.gz	OCSCDGAGFMNJQX-GHMZBOCLSA-N	-1	0	272.345	0.827	20	30		CCEDRM
COCC(C)(C)CNC(=O)N=c1[n-]n(C)cc1C#N	ZINC000590121612	359425640	/nfs/dbraw/zinc/42/56/40/359425640.db2.gz	PWMWSTUVTLRABW-UHFFFAOYSA-N	-1	0	265.317	0.508	20	30		CCEDRM
CCN(C[C@@H](C)OC)C(=O)N=c1[n-]n(C)cc1C#N	ZINC000589761815	359400754	/nfs/dbraw/zinc/40/07/54/359400754.db2.gz	HHMTXYRPTOLJJY-SECBINFHSA-N	-1	0	265.317	0.602	20	30		CCEDRM
Cc1[nH]nc([N-]S(=O)(=O)CCC(C)(C)C#N)c1C(N)=O	ZINC000590598024	359495943	/nfs/dbraw/zinc/49/59/43/359495943.db2.gz	ABHUEKVGEPVJIN-UHFFFAOYSA-N	-1	0	299.356	0.499	20	30		CCEDRM
CC1(C)CC[C@H](C(=O)[O-])N1S(=O)(=O)CC1(C#N)CC1	ZINC000590898055	359535338	/nfs/dbraw/zinc/53/53/38/359535338.db2.gz	RMZCDECJTISGGG-SECBINFHSA-N	-1	0	286.353	0.948	20	30		CCEDRM
COC1(CNC(=O)N=c2[n-]n(C)cc2C#N)CCCC1	ZINC000590819617	359526904	/nfs/dbraw/zinc/52/69/04/359526904.db2.gz	OMDSUDAVDADHQW-UHFFFAOYSA-N	-1	0	277.328	0.794	20	30		CCEDRM
C[C@@]1(C#N)CCCN(C(=O)C(=O)NCCCC(=O)[O-])C1	ZINC000592439999	359842016	/nfs/dbraw/zinc/84/20/16/359842016.db2.gz	DQKMNWIBDBMLFJ-ZDUSSCGKSA-N	-1	0	281.312	0.120	20	30		CCEDRM
CC[C@H]1CC[C@H](C(=O)[O-])N1S(=O)(=O)N(C)CCC#N	ZINC000592448259	359842949	/nfs/dbraw/zinc/84/29/49/359842949.db2.gz	NAJXPFZHTKDIKS-VHSXEESVSA-N	-1	0	289.357	0.404	20	30		CCEDRM
C#CCCCC(=O)Nc1n[nH]nc1C(=O)NC1CC1	ZINC000297822974	200286575	/nfs/dbraw/zinc/28/65/75/200286575.db2.gz	UYHWNUSNRACOGV-UHFFFAOYSA-N	-1	0	261.285	0.439	20	30		CCEDRM
Cc1c(C#N)c(=NC(=O)c2cc3n(n2)CCC3)[n-]n1C	ZINC000592652369	359909012	/nfs/dbraw/zinc/90/90/12/359909012.db2.gz	YCUAJXDSXRWWBN-UHFFFAOYSA-N	-1	0	270.296	0.417	20	30		CCEDRM
Cc1c(C#N)c(=NC(=O)[C@@H]2CCCS2)[n-]n1C	ZINC000592655896	359910554	/nfs/dbraw/zinc/91/05/54/359910554.db2.gz	YYFIVUINYYEDKA-VIFPVBQESA-N	-1	0	250.327	0.856	20	30		CCEDRM
C[C@@H](NS(=O)(=O)c1ccsc1C#N)C(=O)[O-]	ZINC000593254617	360056515	/nfs/dbraw/zinc/05/65/15/360056515.db2.gz	PEHBLZPATFPPTP-RXMQYKEDSA-N	-1	0	260.296	0.371	20	30		CCEDRM
C[C@@H](CC#N)N(C)S(=O)(=O)N(CC(=O)[O-])C1CCC1	ZINC000593942922	360220618	/nfs/dbraw/zinc/22/06/18/360220618.db2.gz	ATIFTCHIXDIWCR-VIFPVBQESA-N	-1	0	289.357	0.404	20	30		CCEDRM
C[C@H](CNS(=O)(=O)CC(C)(C)CC#N)C(=O)[O-]	ZINC000593945256	360221496	/nfs/dbraw/zinc/22/14/96/360221496.db2.gz	PLJCCGCLUOHQRF-MRVPVSSYSA-N	-1	0	262.331	0.566	20	30		CCEDRM
N#CCCCCS(=O)(=O)N(CC(=O)[O-])C1CCC1	ZINC000593945452	360221529	/nfs/dbraw/zinc/22/15/29/360221529.db2.gz	NMCUHOFECDNDNK-UHFFFAOYSA-N	-1	0	274.342	0.949	20	30		CCEDRM
CC(C)[C@H]1CN(C(=O)N=c2[n-]n(C)cc2C#N)CCO1	ZINC000611503744	363728086	/nfs/dbraw/zinc/72/80/86/363728086.db2.gz	BNRUBXKRUCJZAL-LLVKDONJSA-N	-1	0	277.328	0.602	20	30		CCEDRM
N#Cc1sccc1N1CCN(CC(=O)[O-])CC1	ZINC000595881682	360689518	/nfs/dbraw/zinc/68/95/18/360689518.db2.gz	FJQPDSUYNYENMV-UHFFFAOYSA-N	-1	0	251.311	0.826	20	30		CCEDRM
N#Cc1ccc(N2C[C@@H]3COC[C@]3(C(=O)[O-])C2)nc1N	ZINC000595971361	360745006	/nfs/dbraw/zinc/74/50/06/360745006.db2.gz	FMBODMFCLXYEGV-NOZJJQNGSA-N	-1	0	274.280	0.073	20	30		CCEDRM
N#Cc1cnc(N2C[C@@H]3COC[C@]3(C(=O)[O-])C2)c(F)c1	ZINC000595972297	360746466	/nfs/dbraw/zinc/74/64/66/360746466.db2.gz	LFCSIUJWUQLQKY-NOZJJQNGSA-N	-1	0	277.255	0.630	20	30		CCEDRM
N#Cc1cnc(N[C@@H]2C[C@@H](C(=O)[O-])C[C@H]2O)c([N+](=O)[O-])c1	ZINC000595977821	360753421	/nfs/dbraw/zinc/75/34/21/360753421.db2.gz	IQEVIGLRFUPUTP-NQMVMOMDSA-N	-1	0	292.251	0.497	20	30		CCEDRM
Cc1ccnc(N[C@@H]2C[C@@H](C(=O)[O-])C[C@@H]2O)c1C#N	ZINC000595978774	360754845	/nfs/dbraw/zinc/75/48/45/360754845.db2.gz	OMVXZVZMNWGDDS-IEBDPFPHSA-N	-1	0	261.281	0.898	20	30		CCEDRM
Cc1nc(=NC(=O)NCCc2ccc(C#N)cc2)[n-]n1C	ZINC000596917378	360978237	/nfs/dbraw/zinc/97/82/37/360978237.db2.gz	APKXOCOMYCINOA-UHFFFAOYSA-N	-1	0	284.323	0.781	20	30		CCEDRM
CCS(=O)(=O)[N-]c1ccccc1C(=O)N[C@H](C#N)CO	ZINC000597743698	361226683	/nfs/dbraw/zinc/22/66/83/361226683.db2.gz	GESOKIVJTGMPHO-SECBINFHSA-N	-1	0	297.336	0.062	20	30		CCEDRM
CCOC(=O)c1cc(=NC(=O)c2ccc(C#N)nc2)[nH][n-]1	ZINC000611593430	363748467	/nfs/dbraw/zinc/74/84/67/363748467.db2.gz	HEMANRUOBJGGMU-UHFFFAOYSA-N	-1	0	285.263	0.527	20	30		CCEDRM
C=CCCOCC(=O)N1CCSC[C@H](C(=O)[O-])C1	ZINC000621604835	366805805	/nfs/dbraw/zinc/80/58/05/366805805.db2.gz	OWIPUQJRIAJAIG-SNVBAGLBSA-N	-1	0	273.354	0.855	20	30		CCEDRM
C[C@@H](CC#N)C(=O)Nc1n[nH]nc1C(=O)NC1CC1	ZINC000598846268	361526149	/nfs/dbraw/zinc/52/61/49/361526149.db2.gz	UMPCLZCKYYLZLB-LURJTMIESA-N	-1	0	262.273	0.185	20	30		CCEDRM
CO[C@@H]1CCCN(C(=O)N=c2[n-]n(C)cc2C#N)CC1	ZINC000611944438	363810823	/nfs/dbraw/zinc/81/08/23/363810823.db2.gz	OKGMTBNZYOTTFB-LLVKDONJSA-N	-1	0	277.328	0.746	20	30		CCEDRM
N#Cc1c(C2CC2)[n-][nH]c1=NC(=O)[C@@H]1CCC(=O)C1	ZINC000564658670	291292338	/nfs/dbraw/zinc/29/23/38/291292338.db2.gz	JBRIPRAUQIJNSJ-MRVPVSSYSA-N	-1	0	258.281	0.888	20	30		CCEDRM
C=C(C)C[C@@H](NC(C)=O)C(=O)N(C)C[C@H](C)c1nnn[n-]1	ZINC000613473199	364260491	/nfs/dbraw/zinc/26/04/91/364260491.db2.gz	XYVBZGUGAQFWBI-GXSJLCMTSA-N	-1	0	294.359	0.233	20	30		CCEDRM
Cn1cc(C#N)c(=NC(=O)N2CCO[C@H](C3CC3)C2)[n-]1	ZINC000614430858	364604765	/nfs/dbraw/zinc/60/47/65/364604765.db2.gz	NVRVKUKABWCKSI-NSHDSACASA-N	-1	0	275.312	0.356	20	30		CCEDRM
Cn1cc(C#N)c(=NC(=O)N(CC(C)(C)O)C2CC2)[n-]1	ZINC000614688703	364699131	/nfs/dbraw/zinc/69/91/31/364699131.db2.gz	ZCILAGHZQDYQEZ-UHFFFAOYSA-N	-1	0	277.328	0.481	20	30		CCEDRM
Cc1n[n-]c(=NC(=O)N2CC[C@@](F)(C#N)C2)s1	ZINC000615521672	364991739	/nfs/dbraw/zinc/99/17/39/364991739.db2.gz	DXZIPHIWFNIEEN-SECBINFHSA-N	-1	0	255.278	0.738	20	30		CCEDRM
CC[C@]1(C)CN(C(=O)N=c2[n-]n(C)cc2C#N)CCO1	ZINC000615500864	364984954	/nfs/dbraw/zinc/98/49/54/364984954.db2.gz	SCJKQKYNMKDIRM-CYBMUJFWSA-N	-1	0	277.328	0.746	20	30		CCEDRM
C=C(C)C[C@H](NC(C)=O)C(=O)N=c1nc(C)[n-]s1	ZINC000622816448	367370628	/nfs/dbraw/zinc/37/06/28/367370628.db2.gz	CKUQHJUIRZCVDB-VIFPVBQESA-N	-1	0	268.342	0.678	20	30		CCEDRM
C=CCOC[C@H](NC(=O)c1ccc(OC)o1)C(=O)[O-]	ZINC000656244154	412772577	/nfs/dbraw/zinc/77/25/77/412772577.db2.gz	NWIPMRXKKZVCOC-QMMMGPOBSA-N	-1	0	269.253	0.674	20	30		CCEDRM
C=CCCNC(=O)C(=O)N1CC[C@@H](C(=O)[O-])[C@@H](C)C1	ZINC000627279030	368942457	/nfs/dbraw/zinc/94/24/57/368942457.db2.gz	FLBNTWZZSDSSCZ-VHSXEESVSA-N	-1	0	268.313	0.248	20	30		CCEDRM
C=CC(C)(C)CCNC(=O)C(=O)N1CCO[C@@H](C(=O)[O-])C1	ZINC000627281219	368943111	/nfs/dbraw/zinc/94/31/11/368943111.db2.gz	YMINASPCLKVDKK-SNVBAGLBSA-N	-1	0	298.339	0.017	20	30		CCEDRM
C=CCCCN(C)C(=O)C(=O)N1CC[C@H](C(=O)[O-])[C@@H](C)C1	ZINC000629771447	369771866	/nfs/dbraw/zinc/77/18/66/369771866.db2.gz	ALTDXPLGNHHUPQ-RYUDHWBXSA-N	-1	0	296.367	0.980	20	30		CCEDRM
CC#CCN(C)C(=O)C(=O)N1CC[C@@H](C(=O)[O-])[C@H](C)C1	ZINC000629781663	369773523	/nfs/dbraw/zinc/77/35/23/369773523.db2.gz	QTSDPBUQSWOHGZ-GHMZBOCLSA-N	-1	0	280.324	0.037	20	30		CCEDRM
C=CCOC[C@H](NC(=O)CCc1c(C)noc1C)C(=O)[O-]	ZINC000630186755	369995918	/nfs/dbraw/zinc/99/59/18/369995918.db2.gz	XLWRSRRMBYBCBW-LBPRGKRZSA-N	-1	0	296.323	0.996	20	30		CCEDRM
C=CCOC[C@@H](NC(=O)Cc1cccnc1)C(=O)[O-]	ZINC000630186290	369996069	/nfs/dbraw/zinc/99/60/69/369996069.db2.gz	MUYPZQWZEBGCCR-LLVKDONJSA-N	-1	0	264.281	0.396	20	30		CCEDRM
C=CCOC[C@@H](NC(=O)CCc1ccccn1)C(=O)[O-]	ZINC000630185758	369996189	/nfs/dbraw/zinc/99/61/89/369996189.db2.gz	GDXHXWZVRPAFAL-GFCCVEGCSA-N	-1	0	278.308	0.786	20	30		CCEDRM
C=CCOCCCNC(=O)Cn1cc(C(=O)[O-])cn1	ZINC000630206724	370007705	/nfs/dbraw/zinc/00/77/05/370007705.db2.gz	GRZLDVYLYGNQDY-UHFFFAOYSA-N	-1	0	267.285	0.290	20	30		CCEDRM
C=C(C)C[C@H](NC(=O)CNC(=O)C1CC1)C(=O)[O-]	ZINC000630318584	370045872	/nfs/dbraw/zinc/04/58/72/370045872.db2.gz	JOIPLJRXGYJQMM-VIFPVBQESA-N	-1	0	254.286	0.048	20	30		CCEDRM
C=C(C)C[C@H](NC(=O)CCCNC(=O)C1CC1)C(=O)[O-]	ZINC000630318826	370045882	/nfs/dbraw/zinc/04/58/82/370045882.db2.gz	MGRZKLDALUWEGR-NSHDSACASA-N	-1	0	282.340	0.828	20	30		CCEDRM
C=CCCO[C@H](C)C(=O)N1CC[C@](OC)(C(=O)[O-])C1	ZINC000630251460	370022043	/nfs/dbraw/zinc/02/20/43/370022043.db2.gz	DYPCYOWTCKXMGI-ZWNOBZJWSA-N	-1	0	271.313	0.670	20	30		CCEDRM
C=C(C)[C@@H]1OCC[C@H]1CNC(=O)Cn1cc(C(=O)[O-])nn1	ZINC000630302563	370037403	/nfs/dbraw/zinc/03/74/03/370037403.db2.gz	FHMQVCHMXKKBNK-CABZTGNLSA-N	-1	0	294.311	0.074	20	30		CCEDRM
C=C(C)C[C@H](NS(=O)(=O)[C@H](C)CCOC)C(=O)[O-]	ZINC000630437260	370115795	/nfs/dbraw/zinc/11/57/95/370115795.db2.gz	ABMDLXXMGCOOAF-ZJUUUORDSA-N	-1	0	279.358	0.750	20	30		CCEDRM
C=C(C)C[C@H](NS(=O)(=O)[C@H]1CCO[C@H]1C)C(=O)[O-]	ZINC000630437981	370115869	/nfs/dbraw/zinc/11/58/69/370115869.db2.gz	KFEAOXPQGCBOJM-GUBZILKMSA-N	-1	0	277.342	0.503	20	30		CCEDRM
C=CCCOCC(=O)NC[C@@]1(C(=O)[O-])CCCOC1	ZINC000630342620	370052932	/nfs/dbraw/zinc/05/29/32/370052932.db2.gz	YSGSJIAAVXLNDY-ZDUSSCGKSA-N	-1	0	271.313	0.577	20	30		CCEDRM
C=C(C)C[C@H](NS(=O)(=O)N1CCC[C@@H]1C)C(=O)[O-]	ZINC000630438363	370117100	/nfs/dbraw/zinc/11/71/00/370117100.db2.gz	OYGJFJIZUDYIKL-UWVGGRQHSA-N	-1	0	276.358	0.725	20	30		CCEDRM
C=C(C)C[C@@H](NC(=O)NC[C@H]1CCCO1)C(=O)[O-]	ZINC000630470150	370129317	/nfs/dbraw/zinc/12/93/17/370129317.db2.gz	SUYIWTRORRMLET-NXEZZACHSA-N	-1	0	256.302	0.884	20	30		CCEDRM
C=CCCn1cc(CNC(=O)N=c2[n-]ncs2)nn1	ZINC000631478939	370559768	/nfs/dbraw/zinc/55/97/68/370559768.db2.gz	NGGPQXRTRZNCAO-UHFFFAOYSA-N	-1	0	279.329	0.449	20	30		CCEDRM
Cc1[n-][nH]c(=NC(=O)[C@@H]2C[C@H]3CC(=O)[C@@H]2C3)c1C#N	ZINC000633666714	371666675	/nfs/dbraw/zinc/66/66/75/371666675.db2.gz	VHDRHCZRCBREMJ-DJLDLDEBSA-N	-1	0	258.281	0.565	20	30		CCEDRM
C=CCN(C(=O)CCc1nnn[n-]1)[C@@H](C)COC	ZINC000633612419	371629590	/nfs/dbraw/zinc/62/95/90/371629590.db2.gz	MTGGCRWFAUOIQA-VIFPVBQESA-N	-1	0	253.306	0.182	20	30		CCEDRM
C=CCN(CCOC)C(=O)CCCc1nnn[n-]1	ZINC000635847071	372998310	/nfs/dbraw/zinc/99/83/10/372998310.db2.gz	QEABJCDLFJTQLU-UHFFFAOYSA-N	-1	0	253.306	0.183	20	30		CCEDRM
C[C@H](C(=O)[O-])N(C)S(=O)(=O)c1cncc(C#N)c1	ZINC000261576281	190041221	/nfs/dbraw/zinc/04/12/21/190041221.db2.gz	NPOCKWQPLFICBE-SSDOTTSWSA-N	-1	0	269.282	0.047	20	30		CCEDRM
C=CC[C@H](CC)NC(=O)N=c1ccc(C(=O)NC)n[n-]1	ZINC000640337394	376330856	/nfs/dbraw/zinc/33/08/56/376330856.db2.gz	NCHGJDXQTUOTPC-VIFPVBQESA-N	-1	0	277.328	0.734	20	30		CCEDRM
C=CCN(CC(F)(F)F)C(=O)Cn1cc(C(=O)[O-])nn1	ZINC000263357950	190067649	/nfs/dbraw/zinc/06/76/49/190067649.db2.gz	SIGJUAVGFAMCDE-UHFFFAOYSA-N	-1	0	292.217	0.553	20	30		CCEDRM
C=CCCC[C@H](C)NC(=O)C(=O)N1CCO[C@H](C(=O)[O-])C1	ZINC000643162966	377721278	/nfs/dbraw/zinc/72/12/78/377721278.db2.gz	OHHQFCUIUGFAIG-QWRGUYRKSA-N	-1	0	298.339	0.159	20	30		CCEDRM
C=CCC1(C(=O)NCCC(=O)[N-]S(C)(=O)=O)CCC1	ZINC000278519855	194024355	/nfs/dbraw/zinc/02/43/55/194024355.db2.gz	BXWSYSWIWDIGIC-UHFFFAOYSA-N	-1	0	288.369	0.315	20	30		CCEDRM
C=CC[C@@H](CO)NC(=O)c1cc([N+](=O)[O-])ccc1[O-]	ZINC000185920723	388818411	/nfs/dbraw/zinc/81/84/11/388818411.db2.gz	KKASXNZWEPXESB-QMMMGPOBSA-N	-1	0	266.253	0.967	20	30		CCEDRM
CNC(=O)Cn1cc(NC(=O)c2ccc(C#N)c([O-])c2)cn1	ZINC000188340187	388925135	/nfs/dbraw/zinc/92/51/35/388925135.db2.gz	RBTGOGFPQYHTIT-UHFFFAOYSA-N	-1	0	299.290	0.459	20	30		CCEDRM
C=CCCCS(=O)(=O)N[C@@H](CCC(=O)OC)C(=O)[O-]	ZINC000291940943	388943324	/nfs/dbraw/zinc/94/33/24/388943324.db2.gz	YEGFEEISKXHHCV-VIFPVBQESA-N	-1	0	293.341	0.278	20	30		CCEDRM
CC[C@@H](CCNS(=O)(=O)c1ccc(C#N)o1)C(=O)[O-]	ZINC000296845219	389011026	/nfs/dbraw/zinc/01/10/26/389011026.db2.gz	CCTZYYJJTBZNRF-QMMMGPOBSA-N	-1	0	286.309	0.930	20	30		CCEDRM
CCN(CC#N)S(=O)(=O)c1cc(C(=O)[O-])oc1C	ZINC000355416585	389075088	/nfs/dbraw/zinc/07/50/88/389075088.db2.gz	XYMUXJSVBUDHMJ-UHFFFAOYSA-N	-1	0	272.282	0.820	20	30		CCEDRM
N#C[C@@H]1COCCN1CC(=O)[N-]OCc1ccccc1	ZINC000093194008	389035346	/nfs/dbraw/zinc/03/53/46/389035346.db2.gz	IJHWPJUJQMRIKJ-CYBMUJFWSA-N	-1	0	275.308	0.459	20	30		CCEDRM
Cc1c(C#N)cccc1C(=O)NCCc1nc(=O)o[n-]1	ZINC000338272149	389101651	/nfs/dbraw/zinc/10/16/51/389101651.db2.gz	PLVQHEKVWBJEFG-UHFFFAOYSA-N	-1	0	272.264	0.516	20	30		CCEDRM
COc1n[n-]c(=NC(=O)NCC(C)(C)C#N)s1	ZINC000338520979	389111812	/nfs/dbraw/zinc/11/18/12/389111812.db2.gz	WIWQSOVNMGMAOC-UHFFFAOYSA-N	-1	0	255.303	0.640	20	30		CCEDRM
CC[C@@H](CC#N)NC(=O)N=c1nc2nc(C)cc(C)n2[n-]1	ZINC000359227443	389169037	/nfs/dbraw/zinc/16/90/37/389169037.db2.gz	WRPJXOFPTIXNPG-JTQLQIEISA-N	-1	0	287.327	0.977	20	30		CCEDRM
O=C(NC1CC1)N[C@H]1CCN(C(=O)c2csc(=O)[nH]2)C1	ZINC000329963157	389214707	/nfs/dbraw/zinc/21/47/07/389214707.db2.gz	TVKZPYVRHBLXFT-QMMMGPOBSA-N	-1	0	296.352	0.729	20	30		CCEDRM
C[C@@H](CC(=O)[O-])NS(=O)(=O)CC1(C#N)CCCC1	ZINC000361998143	389227373	/nfs/dbraw/zinc/22/73/73/389227373.db2.gz	BSCZPKPUQCFSTJ-VIFPVBQESA-N	-1	0	274.342	0.853	20	30		CCEDRM
N#CCc1ccc(C(=O)N[C@]2(C(=O)[O-])CCOC2)cc1	ZINC000262103436	389281587	/nfs/dbraw/zinc/28/15/87/389281587.db2.gz	NFOXAEORPPFTNA-CQSZACIVSA-N	-1	0	274.276	0.726	20	30		CCEDRM
COCCS(=O)(=O)[N-]c1ccn(CCC#N)n1	ZINC000348734873	389389720	/nfs/dbraw/zinc/38/97/20/389389720.db2.gz	LBXVKSSEISBZGY-UHFFFAOYSA-N	-1	0	258.303	0.185	20	30		CCEDRM
C=CCNC(=O)N=c1[n-]nc(-c2c[nH]nc2C)s1	ZINC000372501966	389452072	/nfs/dbraw/zinc/45/20/72/389452072.db2.gz	FXVJYSHHBPWGFJ-UHFFFAOYSA-N	-1	0	264.314	0.966	20	30		CCEDRM
C=CCC1(C(=O)NC[C@H](OC)C(=O)[O-])CCOCC1	ZINC000425245080	389643098	/nfs/dbraw/zinc/64/30/98/389643098.db2.gz	TWYDQGTYIBHHFO-JTQLQIEISA-N	-1	0	271.313	0.575	20	30		CCEDRM
C=CCCS(=O)(=O)N[C@H]1CN(c2ccccc2)C1=O	ZINC000375155564	389643402	/nfs/dbraw/zinc/64/34/02/389643402.db2.gz	YWVVYABGCUHEJN-LBPRGKRZSA-N	-1	0	280.349	0.897	20	30		CCEDRM
C=CCn1cc(CN=c2[n-]nc(COC)s2)nn1	ZINC000425265328	389644136	/nfs/dbraw/zinc/64/41/36/389644136.db2.gz	UOZCZZLETYYOAR-UHFFFAOYSA-N	-1	0	266.330	0.496	20	30		CCEDRM
C=C(C)[C@H](CC(=O)NCCc1nc(=O)o[n-]1)OCC	ZINC000280034180	389596806	/nfs/dbraw/zinc/59/68/06/389596806.db2.gz	FQAYJHXMGHYSDG-VIFPVBQESA-N	-1	0	269.301	0.393	20	30		CCEDRM
C=CC[C@@H](NS(=O)(=O)c1cncc(OC)c1)C(=O)[O-]	ZINC000280908484	389605992	/nfs/dbraw/zinc/60/59/92/389605992.db2.gz	AEHLDJLMXRYQLW-SNVBAGLBSA-N	-1	0	286.309	0.398	20	30		CCEDRM
CC[C@@H](C#N)S(=O)(=O)[N-]c1ccc(F)cc1C(N)=O	ZINC000416944474	389782660	/nfs/dbraw/zinc/78/26/60/389782660.db2.gz	VIHANEPRFRDURB-QMMMGPOBSA-N	-1	0	285.300	0.968	20	30		CCEDRM
N#Cc1cc(C(=O)NC2(c3nnn[n-]3)CCCC2)c[nH]1	ZINC000352504400	389820563	/nfs/dbraw/zinc/82/05/63/389820563.db2.gz	QCCXMUSNHVUFIK-UHFFFAOYSA-N	-1	0	271.284	0.599	20	30		CCEDRM
C=CCC[C@@H](NC(=O)Cn1cc(C)cn1)C(=O)[O-]	ZINC000448994948	389991777	/nfs/dbraw/zinc/99/17/77/389991777.db2.gz	PHQQZIUTOLLEOH-SNVBAGLBSA-N	-1	0	251.286	0.727	20	30		CCEDRM
C=CC[C@H](CC)NC(=O)C(=O)N1C[C@@H](C)[C@H](C(=O)[O-])C1	ZINC000420550638	390012038	/nfs/dbraw/zinc/01/20/38/390012038.db2.gz	FTODJJCIHMOHGK-OUAUKWLOSA-N	-1	0	282.340	0.636	20	30		CCEDRM
CC(C)(C#N)CS(=O)(=O)[N-]C(=O)/C=C/c1ccncn1	ZINC000492732010	390118343	/nfs/dbraw/zinc/11/83/43/390118343.db2.gz	DSLBESKRWZTNSL-ONEGZZNKSA-N	-1	0	294.336	0.486	20	30		CCEDRM
Cn1nccc1/C=C\C(=O)[N-]S(=O)(=O)CC1(C#N)CC1	ZINC000493163754	390119958	/nfs/dbraw/zinc/11/99/58/390119958.db2.gz	UVLBDGJRLRBHPJ-IHWYPQMZSA-N	-1	0	294.336	0.183	20	30		CCEDRM
C#C[C@@H](C)N(C)C(=O)N=c1[n-]nc(CC(=O)OCC)s1	ZINC000491288813	390111425	/nfs/dbraw/zinc/11/14/25/390111425.db2.gz	VEXLNUHAUIZVDJ-MRVPVSSYSA-N	-1	0	296.352	0.551	20	30		CCEDRM
CC#CCS(=O)(=O)[N-]C(=O)/C=C\c1nccn1CC	ZINC000493350406	390123826	/nfs/dbraw/zinc/12/38/26/390123826.db2.gz	IZULVEDRMDCPIN-SREVYHEPSA-N	-1	0	281.337	0.386	20	30		CCEDRM
C=CCn1cc(C(=O)N2CCC(C)(C(=O)[O-])CC2)nn1	ZINC000647762975	390164405	/nfs/dbraw/zinc/16/44/05/390164405.db2.gz	DPYCHWAKAQUFQN-UHFFFAOYSA-N	-1	0	278.312	0.791	20	30		CCEDRM
N#Cc1ccc(S(=O)(=O)N[C@H]2C[C@H](C(=O)[O-])C2)c(F)c1	ZINC000580064454	390216290	/nfs/dbraw/zinc/21/62/90/390216290.db2.gz	DPQIBFKVJYVBPL-KYZUINATSA-N	-1	0	298.295	0.839	20	30		CCEDRM
C[C@H](NS(=O)(=O)c1cccnc1C#N)C1(CO)CC1	ZINC000594826624	390368240	/nfs/dbraw/zinc/36/82/40/390368240.db2.gz	HHIFSAPZDDQSBG-VIFPVBQESA-N	-1	0	281.337	0.393	20	30		CCEDRM
C=CCCn1cc(C(=O)NCC2(C(=O)[O-])CCC2)nn1	ZINC000644873283	390335805	/nfs/dbraw/zinc/33/58/05/390335805.db2.gz	POOAMINSGXSUSL-UHFFFAOYSA-N	-1	0	278.312	0.839	20	30		CCEDRM
C#CCO[N-]C(=O)C1(C)CN(C(=O)OC(C)(C)C)C1	ZINC000496562166	390354994	/nfs/dbraw/zinc/35/49/94/390354994.db2.gz	BGODFBXGHCLDJP-UHFFFAOYSA-N	-1	0	268.313	0.924	20	30		CCEDRM
C=CCC[C@H](NC(=O)C(C)(C)NC(C)=O)C(=O)[O-]	ZINC000648344998	390359766	/nfs/dbraw/zinc/35/97/66/390359766.db2.gz	BAAJODIAVCQHPH-VIFPVBQESA-N	-1	0	256.302	0.437	20	30		CCEDRM
C[C@@H](C(=O)[O-])C1CN(S(=O)(=O)c2ccc(C#N)o2)C1	ZINC000554430756	390426955	/nfs/dbraw/zinc/42/69/55/390426955.db2.gz	NUDJKUTXPJLXLG-SSDOTTSWSA-N	-1	0	284.293	0.492	20	30		CCEDRM
C[C@@H]1[C@H](C(=O)[O-])CCN1S(=O)(=O)CC1(C#N)CC1	ZINC000554677978	390439540	/nfs/dbraw/zinc/43/95/40/390439540.db2.gz	VLZRJMMSZWPGLY-RKDXNWHRSA-N	-1	0	272.326	0.415	20	30		CCEDRM
C=C[C@@H]1OCC[C@H]1C(=O)N[C@H](CCC)c1nnn[n-]1	ZINC000649145751	390496775	/nfs/dbraw/zinc/49/67/75/390496775.db2.gz	FWKKCMBAKOHCDY-BBBLOLIVSA-N	-1	0	265.317	0.748	20	30		CCEDRM
N#CCCCC(=O)N1CCC(c2n[nH]c(=O)[n-]2)CC1	ZINC000565026246	390498951	/nfs/dbraw/zinc/49/89/51/390498951.db2.gz	JHKNUGNSHPPBRK-UHFFFAOYSA-N	-1	0	263.301	0.910	20	30		CCEDRM
C[C@@H](C(=O)[O-])[C@H](C)NS(=O)(=O)CC1(CC#N)CC1	ZINC000565056728	390499531	/nfs/dbraw/zinc/49/95/31/390499531.db2.gz	ZVXHLXNFDHSNGB-BDAKNGLRSA-N	-1	0	274.342	0.709	20	30		CCEDRM
C=CCCCS(=O)(=O)N1C[C@@H](OC)C[C@H]1CC(=O)[O-]	ZINC000646049175	390585392	/nfs/dbraw/zinc/58/53/92/390585392.db2.gz	ZACDPTCVKCLPKF-QWRGUYRKSA-N	-1	0	291.369	0.846	20	30		CCEDRM
C=CCn1cc(C(=O)NC2(C(=O)[O-])CCC2)nn1	ZINC000649245915	390535044	/nfs/dbraw/zinc/53/50/44/390535044.db2.gz	BAXHXRUDVZHTPR-UHFFFAOYSA-N	-1	0	250.258	0.201	20	30		CCEDRM
C=C[C@H](CCC(=O)[O-])NS(=O)(=O)c1ccoc1	ZINC000565994903	390565636	/nfs/dbraw/zinc/56/56/36/390565636.db2.gz	KPBSVAXUCLFJAM-MRVPVSSYSA-N	-1	0	259.283	0.977	20	30		CCEDRM
C=CCCCS(=O)(=O)N1CCC[C@@]1(COC)C(=O)[O-]	ZINC000643971475	390611170	/nfs/dbraw/zinc/61/11/70/390611170.db2.gz	UFBARWCRRWTIEG-GFCCVEGCSA-N	-1	0	291.369	0.848	20	30		CCEDRM
N#CC1(CS(=O)(=O)NC[C@H](CC(=O)[O-])C(F)F)CC1	ZINC000569737163	390716509	/nfs/dbraw/zinc/71/65/09/390716509.db2.gz	VRKZMVYWTBSHFO-ZETCQYMHSA-N	-1	0	296.295	0.566	20	30		CCEDRM
CC#CC[C@H](CO)NC(=O)N=c1nc2ccccn2[n-]1	ZINC000646336993	390667853	/nfs/dbraw/zinc/66/78/53/390667853.db2.gz	LLDYOUWDEPCGIH-SNVBAGLBSA-N	-1	0	273.296	0.047	20	30		CCEDRM
N#Cc1ccc(CC(=O)N2CCC[C@@H](c3nnn[n-]3)C2)cn1	ZINC000528882156	390782497	/nfs/dbraw/zinc/78/24/97/390782497.db2.gz	KPRMIFDXNVMLMR-LLVKDONJSA-N	-1	0	297.322	0.415	20	30		CCEDRM
Cc1[nH]c(=O)c(C#N)c(C)c1CCC(=O)N[C@H](C)C(=O)[O-]	ZINC000572523139	390787691	/nfs/dbraw/zinc/78/76/91/390787691.db2.gz	VXTHFVXVETVYMI-SECBINFHSA-N	-1	0	291.307	0.798	20	30		CCEDRM
C=CCNc1ncc(C(=O)N2CCO[C@@H](C(=O)[O-])C2)s1	ZINC000647219667	390792053	/nfs/dbraw/zinc/79/20/53/390792053.db2.gz	SVXXBRBZFNIDIG-MRVPVSSYSA-N	-1	0	297.336	0.089	20	30		CCEDRM
C=CCC[C@@H](NC(=O)c1cn(CC=C)nn1)C(=O)[O-]	ZINC000647598361	390847822	/nfs/dbraw/zinc/84/78/22/390847822.db2.gz	LYRTZCKYWUTZCB-SECBINFHSA-N	-1	0	264.285	0.613	20	30		CCEDRM
Cc1[n-][nH]c(=NC(=O)c2ccc3c(c2)nnn3C)c1C#N	ZINC000431691373	533592906	/nfs/dbraw/zinc/59/29/06/533592906.db2.gz	MLXIIEKNLSXJDS-UHFFFAOYSA-N	-1	0	281.279	0.546	20	30		CCEDRM
CN(CC(C)(C)C(=O)[O-])S(=O)(=O)c1ccc(C#N)o1	ZINC000548770059	286066708	/nfs/dbraw/zinc/06/67/08/286066708.db2.gz	QCHKGJLSAJLBBK-UHFFFAOYSA-N	-1	0	286.309	0.883	20	30		CCEDRM
C=CCNS(=O)(=O)c1cc(C(=O)[O-])c(O)cc1C	ZINC000021035765	171292285	/nfs/dbraw/zinc/29/22/85/171292285.db2.gz	DDUQIOMGCILFBN-UHFFFAOYSA-N	-1	0	271.294	0.863	20	30		CCEDRM
C=CCCn1cc(C(=O)N2[C@H](C)CC[C@@H]2C(=O)[O-])nn1	ZINC000653319535	412288757	/nfs/dbraw/zinc/28/87/57/412288757.db2.gz	SIOBBBWBTYDRBW-MWLCHTKSSA-N	-1	0	278.312	0.932	20	30		CCEDRM
C=CCn1cc(CNC(=O)C(CC)(CC)C(=O)[O-])nn1	ZINC000653290494	412281618	/nfs/dbraw/zinc/28/16/18/412281618.db2.gz	XWNVDHWHYOFVBW-UHFFFAOYSA-N	-1	0	280.328	0.971	20	30		CCEDRM
C=CCCNC(=O)C(=O)N1CCC(CCC(=O)[O-])CC1	ZINC000659664071	413760650	/nfs/dbraw/zinc/76/06/50/413760650.db2.gz	OVHKPKPPMKGVCC-UHFFFAOYSA-N	-1	0	282.340	0.782	20	30		CCEDRM
C=CCCn1cc(CN2CC[C@@H](OC)C[C@@H]2C(=O)[O-])nn1	ZINC000659794567	413878892	/nfs/dbraw/zinc/87/88/92/413878892.db2.gz	RLKZWNWJLLVNKA-CHWSQXEVSA-N	-1	0	294.355	0.918	20	30		CCEDRM
C=CCOCCNS(=O)(=O)c1ccccc1C(=O)[O-]	ZINC000663430123	415064538	/nfs/dbraw/zinc/06/45/38/415064538.db2.gz	MYKYVQZBGSUATD-UHFFFAOYSA-N	-1	0	285.321	0.866	20	30		CCEDRM
C=CCOCCNC(=O)N[C@H](C(=O)[O-])C1CCOCC1	ZINC000663263724	415030953	/nfs/dbraw/zinc/03/09/53/415030953.db2.gz	AIXQEXQBGWYQQT-NSHDSACASA-N	-1	0	286.328	0.368	20	30		CCEDRM
C=CCN(CC=C)C(=O)C(=O)NC[C@H](C(=O)[O-])C1CCC1	ZINC000663633825	415099117	/nfs/dbraw/zinc/09/91/17/415099117.db2.gz	KEMWFRLKGMZJJZ-LBPRGKRZSA-N	-1	0	294.351	0.804	20	30		CCEDRM
C[C@@H](C(=O)[O-])N(C)S(=O)(=O)c1ccc(F)c(C#N)c1	ZINC000071238857	176094032	/nfs/dbraw/zinc/09/40/32/176094032.db2.gz	FAERPENBDVDDAE-ZETCQYMHSA-N	-1	0	286.284	0.791	20	30		CCEDRM
N#C[C@@H](CCc1ccccc1)C(=O)NCCc1n[n-]c(=N)o1	ZINC000355028245	227324917	/nfs/dbraw/zinc/32/49/17/227324917.db2.gz	FGFTYDQDHSVDQY-GFCCVEGCSA-N	-1	0	299.334	0.913	20	30		CCEDRM
Cn1cc(N=C([O-])C[C@H]2CCOC2)c(=O)n(C)c1=O	ZINC000330213071	228067391	/nfs/dbraw/zinc/06/73/91/228067391.db2.gz	KQMRYNZIPDTCRW-MRVPVSSYSA-N	-1	0	267.285	0.099	20	30		CCEDRM
CC[C@@H](C#N)S(=O)(=O)[N-]c1ccccc1C(N)=O	ZINC000229899616	261236183	/nfs/dbraw/zinc/23/61/83/261236183.db2.gz	SYOANZLYQULCJR-QMMMGPOBSA-N	-1	0	267.310	0.829	20	30		CCEDRM
C=CC[C@@H](CO)NC(=O)NCCCCCC(=O)[O-]	ZINC000414630527	263017188	/nfs/dbraw/zinc/01/71/88/263017188.db2.gz	UPRHGXAEBUDSKY-JTQLQIEISA-N	-1	0	258.318	0.868	20	30		CCEDRM
COC(=O)[C@H](C/N=C/c1cc([N+](=O)[O-])ccc1[O-])OC	ZINC000291806206	263125738	/nfs/dbraw/zinc/12/57/38/263125738.db2.gz	CHQJNBDOWOZKDA-HOVAHTAHSA-N	-1	0	282.252	0.907	20	30		CCEDRM
C=CCCCS(=O)(=O)N[C@H](COCC)C(=O)[O-]	ZINC000291884268	263126350	/nfs/dbraw/zinc/12/63/50/263126350.db2.gz	NKXKHYLIIYQWKD-SECBINFHSA-N	-1	0	265.331	0.362	20	30		CCEDRM
C#CC[C@H](NS(=O)(=O)Cc1ccccc1)C(=O)[O-]	ZINC000161243276	264275939	/nfs/dbraw/zinc/27/59/39/264275939.db2.gz	QVSWWCWZRCDAMZ-NSHDSACASA-N	-1	0	267.306	0.583	20	30		CCEDRM
C=CC[C@H](NS(=O)(=O)N1CCCC[C@H]1C)C(=O)[O-]	ZINC000161281908	264280433	/nfs/dbraw/zinc/28/04/33/264280433.db2.gz	FHHRSHZUDNCCIQ-ZJUUUORDSA-N	-1	0	276.358	0.725	20	30		CCEDRM
C[C@@H](CC#N)N(C)S(=O)(=O)N1CCCC[C@H]1C(=O)[O-]	ZINC000251659355	264294462	/nfs/dbraw/zinc/29/44/62/264294462.db2.gz	UDJIEBVZTIGIGU-UWVGGRQHSA-N	-1	0	289.357	0.404	20	30		CCEDRM
C#CCO[N-]C(=O)CN(C)C(=O)OCc1ccccc1	ZINC000291299387	264820701	/nfs/dbraw/zinc/82/07/01/264820701.db2.gz	QJTPIRWIVHZNRS-UHFFFAOYSA-N	-1	0	276.292	0.936	20	30		CCEDRM
C=CCOC[C@H](NS(=O)(=O)C[C@@H](C)CC)C(=O)[O-]	ZINC000519150071	265337819	/nfs/dbraw/zinc/33/78/19/265337819.db2.gz	VWMWVFCJSVGIIK-UWVGGRQHSA-N	-1	0	279.358	0.608	20	30		CCEDRM
C=CCOC[C@H](NS(=O)(=O)C[C@H](C)CC)C(=O)[O-]	ZINC000519150073	265338123	/nfs/dbraw/zinc/33/81/23/265338123.db2.gz	VWMWVFCJSVGIIK-ZJUUUORDSA-N	-1	0	279.358	0.608	20	30		CCEDRM
C[C@@H](C#N)C(=O)Nc1nnc([N-]S(C)(=O)=O)s1	ZINC000357810495	266369748	/nfs/dbraw/zinc/36/97/48/266369748.db2.gz	SDJXJACVGWMNAI-BYPYZUCNSA-N	-1	0	275.315	0.008	20	30		CCEDRM
C=C[C@H](CO)[N-]S(=O)(=O)c1c(F)cccc1[N+](=O)[O-]	ZINC000349786087	276922922	/nfs/dbraw/zinc/92/29/22/276922922.db2.gz	WTIDHHBPRWRCTI-SSDOTTSWSA-N	-1	0	290.272	0.559	20	30		CCEDRM
Cn1cc(C#N)c(=NC(=O)[C@@H]2CCc3cnn(C)c3C2)[n-]1	ZINC000408194856	279325566	/nfs/dbraw/zinc/32/55/66/279325566.db2.gz	ZRAURNHINDTOKE-SECBINFHSA-N	-1	0	284.323	0.191	20	30		CCEDRM
Cc1nc(C(=O)NC2(c3nnn[n-]3)CC2)ccc1C#N	ZINC000357049937	293177246	/nfs/dbraw/zinc/17/72/46/293177246.db2.gz	IDCSYSXEJDYVQP-UHFFFAOYSA-N	-1	0	269.268	0.194	20	30		CCEDRM
N#Cc1ccc(/C=C\C(=O)NCCc2n[n-]c(=N)o2)cc1	ZINC000492933810	303187475	/nfs/dbraw/zinc/18/74/75/303187475.db2.gz	UWBIELLPISAPPC-WAYWQWQTSA-N	-1	0	283.291	0.726	20	30		CCEDRM
N#Cc1nc(NC(=O)[C@@H]2CCCc3n[nH]cc32)[n-]c1C#N	ZINC000136037325	303216028	/nfs/dbraw/zinc/21/60/28/303216028.db2.gz	HFMCCDKUBDBXCD-SSDOTTSWSA-N	-1	0	281.279	0.935	20	30		CCEDRM
C=C[C@@H]1OCCC[C@H]1C(=O)N1C[C@H](OC)C[C@@H]1C(=O)[O-]	ZINC000563019666	327765696	/nfs/dbraw/zinc/76/56/96/327765696.db2.gz	KUCLANOCFAHKJC-KKOKHZNYSA-N	-1	0	283.324	0.668	20	30		CCEDRM
C=CC[C@@H](CO)CNC(=O)N=c1nc(SC)[n-]s1	ZINC000341690203	328415044	/nfs/dbraw/zinc/41/50/44/328415044.db2.gz	BDMWMVLNGIBBML-SSDOTTSWSA-N	-1	0	288.398	0.988	20	30		CCEDRM
C=C(C)CN(C)C(=O)c1cc(C)c2c(=O)[n-]c(=O)nc-2[nH]1	ZINC000180423148	326851040	/nfs/dbraw/zinc/85/10/40/326851040.db2.gz	MBYAOTVAALXPGF-UHFFFAOYSA-N	-1	0	288.307	0.980	20	30		CCEDRM
CC[C@H](C(=O)[O-])N(C)S(=O)(=O)CC1(CC#N)CC1	ZINC000564457560	327138404	/nfs/dbraw/zinc/13/84/04/327138404.db2.gz	HWXOSOFTUVRFNZ-SECBINFHSA-N	-1	0	274.342	0.805	20	30		CCEDRM
C=CCNc1ncc(C(=O)N(C)C[C@H](C)C(=O)[O-])s1	ZINC000583440743	327366334	/nfs/dbraw/zinc/36/63/34/327366334.db2.gz	TWEHUEOINOYIED-QMMMGPOBSA-N	-1	0	283.353	0.956	20	30		CCEDRM
C=CCNC(=O)NC(=O)C[N@H+]1CCCC[C@@H]1CCC(=O)[O-]	ZINC000050924481	327395533	/nfs/dbraw/zinc/39/55/33/327395533.db2.gz	CIDRCPNULCMXBB-LLVKDONJSA-N	-1	0	297.355	0.718	20	30		CCEDRM
C=C[C@@H]1OCC[C@H]1C(=O)N=c1cc(-c2nccn2C)[n-][nH]1	ZINC000562530819	327488556	/nfs/dbraw/zinc/48/85/56/327488556.db2.gz	AORIKQMVXBSWSS-KOLCDFICSA-N	-1	0	287.323	0.762	20	30		CCEDRM
C=C(C)[C@H]1OCC[C@H]1CNC(=O)c1n[nH]c(=O)[n-]1	ZINC000580392062	328803294	/nfs/dbraw/zinc/80/32/94/328803294.db2.gz	GEKILAYPVZJTLT-JGVFFNPUSA-N	-1	0	252.274	0.221	20	30		CCEDRM
COc1ccc(-n2cc([O-])c(C(=O)NCC#N)n2)cc1	ZINC000180729658	329222721	/nfs/dbraw/zinc/22/27/21/329222721.db2.gz	PKZMGCSVNLZDQL-UHFFFAOYSA-N	-1	0	272.264	0.840	20	30		CCEDRM
C=CCCn1cc(C(=O)N=c2nc(COC)[n-]s2)nn1	ZINC000424783479	329587398	/nfs/dbraw/zinc/58/73/98/329587398.db2.gz	QAFXPSIZENJZAU-UHFFFAOYSA-N	-1	0	294.340	0.526	20	30		CCEDRM
C=CCCn1cc(C(=O)N[C@@H](C)[C@H](C)C(=O)[O-])nn1	ZINC000425236401	329646065	/nfs/dbraw/zinc/64/60/65/329646065.db2.gz	FKIZILGHIJJWII-IUCAKERBSA-N	-1	0	266.301	0.693	20	30		CCEDRM
C=C[C@@H]1CCCCN1C(=O)C(=O)NCCC(=O)[O-]	ZINC000420597194	329778696	/nfs/dbraw/zinc/77/86/96/329778696.db2.gz	JDWOHAUXIYJZDJ-SECBINFHSA-N	-1	0	254.286	0.144	20	30		CCEDRM
C=CCCC(=O)N1C[C@H]2COCC[C@@]2(C(=O)[O-])C1	ZINC000262476310	330016037	/nfs/dbraw/zinc/01/60/37/330016037.db2.gz	XIXAEWGHSGDSIH-GXFFZTMASA-N	-1	0	253.298	0.902	20	30		CCEDRM
C=CCOCCCC(=O)N1CCC(O)(C(=O)[O-])CC1	ZINC000262761712	330029976	/nfs/dbraw/zinc/02/99/76/330029976.db2.gz	LMPHGWOFWHDORN-UHFFFAOYSA-N	-1	0	271.313	0.407	20	30		CCEDRM
C=CCCO[C@@H](C)C(=O)N1CC[C@@](F)(C(=O)[O-])C1	ZINC000262841391	330035130	/nfs/dbraw/zinc/03/51/30/330035130.db2.gz	UAPZHQQDEURHQK-CABZTGNLSA-N	-1	0	259.277	0.993	20	30		CCEDRM
C=CCOC[C@@H](NC(=O)[C@@H](C)CSC)C(=O)[O-]	ZINC000262903595	330036759	/nfs/dbraw/zinc/03/67/59/330036759.db2.gz	DWKGDICIONYCBA-DTWKUNHWSA-N	-1	0	261.343	0.758	20	30		CCEDRM
C=CCOC[C@H](NC(=O)C1(CCOC)CC1)C(=O)[O-]	ZINC000263120105	330044558	/nfs/dbraw/zinc/04/45/58/330044558.db2.gz	VFNANWWPTMXTNG-JTQLQIEISA-N	-1	0	271.313	0.575	20	30		CCEDRM
CC[C@H](C)[C@H](NS(=O)(=O)N(C)C[C@@H](C)C#N)C(=O)[O-]	ZINC000263553337	330059398	/nfs/dbraw/zinc/05/93/98/330059398.db2.gz	MMGATQITGHOPTG-GUBZILKMSA-N	-1	0	291.373	0.412	20	30		CCEDRM
CC(C)[C@@H](NS(=O)(=O)N(C)[C@@H](C)CC#N)C(=O)[O-]	ZINC000263553321	330059438	/nfs/dbraw/zinc/05/94/38/330059438.db2.gz	MLTDRJVDTODAAF-DTWKUNHWSA-N	-1	0	277.346	0.164	20	30		CCEDRM
C=C(C)CN(CC)C(=O)C(=O)N(C)C[C@@H](C)C(=O)[O-]	ZINC000422707308	330151146	/nfs/dbraw/zinc/15/11/46/330151146.db2.gz	HHIYOMSXRPPOGU-SNVBAGLBSA-N	-1	0	270.329	0.590	20	30		CCEDRM
C=C[C@H]1CCCCN1C(=O)C(=O)N1CC[C@@H](C(=O)[O-])C1	ZINC000422909723	330159887	/nfs/dbraw/zinc/15/98/87/330159887.db2.gz	OWJFAGHJHPRIJE-MNOVXSKESA-N	-1	0	280.324	0.487	20	30		CCEDRM
C[C@@H]1CCCN(S(=O)(=O)CCCC#N)[C@H]1C(=O)[O-]	ZINC000424364129	330347682	/nfs/dbraw/zinc/34/76/82/330347682.db2.gz	CUBRCBQSNCBONQ-NXEZZACHSA-N	-1	0	274.342	0.805	20	30		CCEDRM
C=CCn1cc(CNC(=O)N(C)C[C@@H](C)C(=O)[O-])nn1	ZINC000424397091	330350149	/nfs/dbraw/zinc/35/01/49/330350149.db2.gz	IYLQJCUDQKJXBD-SECBINFHSA-N	-1	0	281.316	0.326	20	30		CCEDRM
C=CCn1cc(CNC(=O)N(C)C[C@H](C)C(=O)[O-])nn1	ZINC000424397092	330350207	/nfs/dbraw/zinc/35/02/07/330350207.db2.gz	IYLQJCUDQKJXBD-VIFPVBQESA-N	-1	0	281.316	0.326	20	30		CCEDRM
C#CCN1CCC(NS(=O)(=O)[N-]CC(F)(F)F)CC1	ZINC000490715225	332107997	/nfs/dbraw/zinc/10/79/97/332107997.db2.gz	VIYGCMRXFZKUPH-UHFFFAOYSA-N	-1	0	299.318	0.070	20	30		CCEDRM
C#C[C@@H](C)N(C)C(=O)N=c1ccc(-c2ccnn2C)n[n-]1	ZINC000491340274	332193593	/nfs/dbraw/zinc/19/35/93/332193593.db2.gz	WPLYMFSBOUNWPT-SNVBAGLBSA-N	-1	0	284.323	0.784	20	30		CCEDRM
C#C[C@H]1COCCN1C(=O)N=c1[n-]nc(SCC)s1	ZINC000491638183	332258788	/nfs/dbraw/zinc/25/87/88/332258788.db2.gz	NHOIJZUEMHNLRL-QMMMGPOBSA-N	-1	0	298.393	0.938	20	30		CCEDRM
CC[C@@H](CCC(=O)[O-])NS(=O)(=O)N(C)[C@@H](C)CC#N	ZINC000566311911	334642494	/nfs/dbraw/zinc/64/24/94/334642494.db2.gz	LDYUBXUCYOJFAA-UWVGGRQHSA-N	-1	0	291.373	0.698	20	30		CCEDRM
C=C[C@@H](CCC(=O)[O-])NS(=O)(=O)N1CC[C@@H](C)C1	ZINC000567218150	334693450	/nfs/dbraw/zinc/69/34/50/334693450.db2.gz	XCVXIPIUUJIACU-ZJUUUORDSA-N	-1	0	276.358	0.582	20	30		CCEDRM
C=C[C@@H]1OCC[C@H]1NC(=O)N=c1[n-]nc(CC)s1	ZINC000517692489	333106162	/nfs/dbraw/zinc/10/61/62/333106162.db2.gz	VOSAWOAHBAMRGO-SFYZADRCSA-N	-1	0	268.342	0.987	20	30		CCEDRM
C[C@H](C#N)CNS(=O)(=O)c1ccc(C(=O)[O-])c(F)c1	ZINC000184988262	333134205	/nfs/dbraw/zinc/13/42/05/333134205.db2.gz	RQTGKKUDGPVXML-SSDOTTSWSA-N	-1	0	286.284	0.962	20	30		CCEDRM
N#CCCCS(=O)(=O)N1CCc2occc2[C@@H]1C(=O)[O-]	ZINC000530141498	333525550	/nfs/dbraw/zinc/52/55/50/333525550.db2.gz	YTHKKGNUMMJDCZ-LLVKDONJSA-N	-1	0	298.320	0.897	20	30		CCEDRM
CC#CCCNC(=O)N=c1[n-]nc(CCC(=O)OC)s1	ZINC000544567830	333935989	/nfs/dbraw/zinc/93/59/89/333935989.db2.gz	HSRMLMYRXPWMRI-UHFFFAOYSA-N	-1	0	296.352	0.601	20	30		CCEDRM
CC(C)N([C@H](C)C(=O)[O-])S(=O)(=O)CCCC#N	ZINC000547895230	334128964	/nfs/dbraw/zinc/12/89/64/334128964.db2.gz	GPPWHSXJEJRRDE-SECBINFHSA-N	-1	0	262.331	0.803	20	30		CCEDRM
CN(CCC#N)S(=O)(=O)N(CC(=O)[O-])C1CCCC1	ZINC000547898047	334129037	/nfs/dbraw/zinc/12/90/37/334129037.db2.gz	HIAFZXVSMHKNAQ-UHFFFAOYSA-N	-1	0	289.357	0.406	20	30		CCEDRM
N#CC1(CS(=O)(=O)N2CC(C(=O)[O-])C2)CCCC1	ZINC000547894206	334129064	/nfs/dbraw/zinc/12/90/64/334129064.db2.gz	LOBCDEUKZKYPHR-UHFFFAOYSA-N	-1	0	272.326	0.417	20	30		CCEDRM
N#CCCCCS(=O)(=O)N1CSC[C@@H]1C(=O)[O-]	ZINC000547908265	334129105	/nfs/dbraw/zinc/12/91/05/334129105.db2.gz	IAFOBSFKTFNYPY-MRVPVSSYSA-N	-1	0	278.355	0.470	20	30		CCEDRM
C=CCCS(=O)(=O)NC[C@H](Cc1ccccn1)C(=O)[O-]	ZINC000548209365	334146561	/nfs/dbraw/zinc/14/65/61/334146561.db2.gz	HQIIRTKTJPCINI-NSHDSACASA-N	-1	0	298.364	0.820	20	30		CCEDRM
C[C@H]1CCN(S(=O)(=O)CC2(C#N)CC2)[C@H]1C(=O)[O-]	ZINC000548245102	334147019	/nfs/dbraw/zinc/14/70/19/334147019.db2.gz	ZOMLAQPUFLVROK-DTWKUNHWSA-N	-1	0	272.326	0.415	20	30		CCEDRM
CC[C@@H](C)[C@@H](C(=O)[O-])N(C)S(=O)(=O)N(C)CCC#N	ZINC000548250804	334147101	/nfs/dbraw/zinc/14/71/01/334147101.db2.gz	ZBRCYHPQMGXTRE-ZJUUUORDSA-N	-1	0	291.373	0.508	20	30		CCEDRM
N#CC1(CS(=O)(=O)NCCSCC(=O)[O-])CC1	ZINC000548589428	334162958	/nfs/dbraw/zinc/16/29/58/334162958.db2.gz	QINMMSANRJYXHW-UHFFFAOYSA-N	-1	0	278.355	0.027	20	30		CCEDRM
CCN(C[C@@H](C)C(=O)[O-])S(=O)(=O)N(C)C[C@@H](C)C#N	ZINC000565838040	334602071	/nfs/dbraw/zinc/60/20/71/334602071.db2.gz	VEICUIJUMXPKJB-VHSXEESVSA-N	-1	0	291.373	0.365	20	30		CCEDRM
C=CCCS(=O)(=O)N(CCC(=O)[O-])C1CCOCC1	ZINC000566178906	334632470	/nfs/dbraw/zinc/63/24/70/334632470.db2.gz	JDNSDXLHYCDCSI-UHFFFAOYSA-N	-1	0	291.369	0.848	20	30		CCEDRM
C=CCOC[C@H](NC(=O)NC[C@H]1CCCCO1)C(=O)[O-]	ZINC000567372267	334709806	/nfs/dbraw/zinc/70/98/06/334709806.db2.gz	LRCLQZRLPSQHQE-MNOVXSKESA-N	-1	0	286.328	0.511	20	30		CCEDRM
C=CCC[C@@H](NS(=O)(=O)c1c[nH]cn1)C(=O)[O-]	ZINC000316380848	334820216	/nfs/dbraw/zinc/82/02/16/334820216.db2.gz	SUOHWIJDJTUJHI-SSDOTTSWSA-N	-1	0	259.287	0.107	20	30		CCEDRM
C=C[C@@H](CCC(=O)[O-])NS(=O)(=O)N(CC)CC1CC1	ZINC000576359018	335194326	/nfs/dbraw/zinc/19/43/26/335194326.db2.gz	KCETZRPJAKYRBE-NSHDSACASA-N	-1	0	290.385	0.972	20	30		CCEDRM
CC[C@@H](CCC(=O)[O-])NS(=O)(=O)CCCC#N	ZINC000576443157	335203772	/nfs/dbraw/zinc/20/37/72/335203772.db2.gz	NVRLBCAEVLEIFG-VIFPVBQESA-N	-1	0	262.331	0.853	20	30		CCEDRM
C=CCNc1ncc(C(=O)N[C@@H](C)C(=O)[O-])s1	ZINC000576464787	335207282	/nfs/dbraw/zinc/20/72/82/335207282.db2.gz	PBCNNPKRVNRMRU-LURJTMIESA-N	-1	0	255.299	0.366	20	30		CCEDRM
CN(CC(=O)[O-])S(=O)(=O)Cc1ccc(CC#N)cc1	ZINC000576874836	335258725	/nfs/dbraw/zinc/25/87/25/335258725.db2.gz	DPNVJEGZBBGTJF-UHFFFAOYSA-N	-1	0	282.321	0.599	20	30		CCEDRM
C=CCOC[C@@H](NC(=O)NC[C@@H](C)SC)C(=O)[O-]	ZINC000577342583	335340633	/nfs/dbraw/zinc/34/06/33/335340633.db2.gz	UFMCOLLOJHPZGC-RKDXNWHRSA-N	-1	0	276.358	0.693	20	30		CCEDRM
Cn1cc(S(=O)(=O)NCC2(CC#N)CC2)cc1C(=O)[O-]	ZINC000362330533	335854817	/nfs/dbraw/zinc/85/48/17/335854817.db2.gz	RPHKVBGEAMVFCN-UHFFFAOYSA-N	-1	0	297.336	0.695	20	30		CCEDRM
N#Cc1cncc(S(=O)(=O)N2CC[C@H](CC(=O)[O-])C2)c1	ZINC000380525632	335993843	/nfs/dbraw/zinc/99/38/43/335993843.db2.gz	JMUOQSCJQPCKKI-SECBINFHSA-N	-1	0	295.320	0.439	20	30		CCEDRM
COc1nc(C)cc(C)c1Cn1c(=O)[n-]cc(C#N)c1=O	ZINC000581488481	336088295	/nfs/dbraw/zinc/08/82/95/336088295.db2.gz	KAEKPJJKOVMBLY-UHFFFAOYSA-N	-1	0	286.291	0.477	20	30		CCEDRM
C=C[C@H](CCC(=O)[O-])NS(=O)(=O)c1cnc2n1CCC2	ZINC000581928682	336170296	/nfs/dbraw/zinc/17/02/96/336170296.db2.gz	TZOJHELZZJFAHT-SECBINFHSA-N	-1	0	299.352	0.527	20	30		CCEDRM
CC(C)(C)n1cc(C#N)c(=NC(=O)c2cncnc2)[n-]1	ZINC000354781211	519145788	/nfs/dbraw/zinc/14/57/88/519145788.db2.gz	ALPXWSPIPBBSJX-UHFFFAOYSA-N	-1	0	270.296	0.974	20	30		CCEDRM
Cc1nc([N-]S(=O)(=O)c2ccc(C#N)c(F)c2)nn1C	ZINC000427629151	534494077	/nfs/dbraw/zinc/49/40/77/534494077.db2.gz	HWNLVFDJDTVZSP-UHFFFAOYSA-N	-1	0	295.299	0.935	20	30		CCEDRM
COCC[C@@H](NC(=O)COc1ccc(C#N)cc1)C(=O)[O-]	ZINC000052784757	521836205	/nfs/dbraw/zinc/83/62/05/521836205.db2.gz	PYXMXAPGGBRWKT-GFCCVEGCSA-N	-1	0	292.291	0.543	20	30		CCEDRM
COCC[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)[O-]	ZINC000052785967	521975395	/nfs/dbraw/zinc/97/53/95/521975395.db2.gz	SCIOPVWYPCTRQB-NSHDSACASA-N	-1	0	298.320	0.326	20	30		CCEDRM
COCCN(CC(=O)[O-])C(=O)COc1ccc(C#N)cc1	ZINC000049606651	523658731	/nfs/dbraw/zinc/65/87/31/523658731.db2.gz	GWYCGKQIYTZPBN-UHFFFAOYSA-N	-1	0	292.291	0.497	20	30		CCEDRM
C=CCOc1cccnc1C(=O)NCCc1n[n-]c(=N)o1	ZINC000355028737	526962247	/nfs/dbraw/zinc/96/22/47/526962247.db2.gz	GHZGHOIHUKEHSI-UHFFFAOYSA-N	-1	0	289.295	0.414	20	30		CCEDRM
C=CC[C@H](C)NC(=O)C(=O)N=c1ncn(C(C)(C)C)[n-]1	ZINC000344494156	527123592	/nfs/dbraw/zinc/12/35/92/527123592.db2.gz	YZHXSDLBZOTXRN-VIFPVBQESA-N	-1	0	279.344	0.474	20	30		CCEDRM
C=CCCCN(C)C(=O)C(=O)N=c1ncn(C(C)(C)C)[n-]1	ZINC000344475700	527175505	/nfs/dbraw/zinc/17/55/05/527175505.db2.gz	BXYGTSNBEWRKAA-UHFFFAOYSA-N	-1	0	293.371	0.818	20	30		CCEDRM
CCOC(=O)[C@H](CC)C(=O)N=c1[nH][n-]c(C)c1C#N	ZINC000412291696	527988817	/nfs/dbraw/zinc/98/88/17/527988817.db2.gz	ZDTZOLIEMNERPI-MRVPVSSYSA-N	-1	0	264.285	0.540	20	30		CCEDRM
CCC[C@@H](NC(=O)c1cc(C#N)[nH]c1C)c1nnn[n-]1	ZINC000450119582	528990374	/nfs/dbraw/zinc/99/03/74/528990374.db2.gz	CYTYYPOQPKNSPB-SNVBAGLBSA-N	-1	0	273.300	0.979	20	30		CCEDRM
C=CCN(CCc1ccco1)C(=O)c1n[nH]c(=O)[n-]c1=O	ZINC000679359781	545407704	/nfs/dbraw/zinc/40/77/04/545407704.db2.gz	OMPKXFIBIIZOQA-UHFFFAOYSA-N	-1	0	290.279	0.747	20	30		CCEDRM
C=CC[C@@H](NS(=O)(=O)N(CC)CC1CC1)C(=O)[O-]	ZINC000681557733	545456166	/nfs/dbraw/zinc/45/61/66/545456166.db2.gz	FJWSUMPJCBXGHG-SNVBAGLBSA-N	-1	0	276.358	0.582	20	30		CCEDRM
C=CCOC[C@H](NC(=O)NCc1csc(C)n1)C(=O)[O-]	ZINC000684716598	545727750	/nfs/dbraw/zinc/72/77/50/545727750.db2.gz	FQKDFPOYGKVIQA-JTQLQIEISA-N	-1	0	299.352	0.907	20	30		CCEDRM
C=CCOC[C@H](NC(=O)NCCC1CC1)C(=O)[O-]	ZINC000684734249	545728704	/nfs/dbraw/zinc/72/87/04/545728704.db2.gz	FQPIUZIFGMIPJZ-JTQLQIEISA-N	-1	0	256.302	0.742	20	30		CCEDRM
Cc1ccc(C#N)cc1S(=O)(=O)NC/C=C/C(=O)[O-]	ZINC000305890756	649887109	/nfs/dbraw/zinc/88/71/09/649887109.db2.gz	UHMJEPZWAPNZEY-NSCUHMNNSA-N	-1	0	280.305	0.786	20	30		CCEDRM
CCN(CC(=O)N1CCN(C2CC2)[C@H](C#N)C1)C(=O)[O-]	ZINC000739394827	581129712	/nfs/dbraw/zinc/12/97/12/581129712.db2.gz	ULHJJGJYKOHICG-LLVKDONJSA-N	-1	0	280.328	0.185	20	30		CCEDRM
C=CCCO[C@@H](C)C(=O)[N-]S(=O)(=O)C[C@H]1CCCO1	ZINC000781515073	581135143	/nfs/dbraw/zinc/13/51/43/581135143.db2.gz	RARLTZQNSJUEJN-WDEREUQCSA-N	-1	0	291.369	0.593	20	30		CCEDRM
CC(C)NC(=O)C(C#N)=C([O-])c1ccnn1CC(F)F	ZINC000789402235	581147661	/nfs/dbraw/zinc/14/76/61/581147661.db2.gz	CHRGJBMITPGJAH-QMMMGPOBSA-N	-1	0	284.266	0.995	20	30		CCEDRM
N#Cc1c(F)cccc1C(=O)[N-]S(=O)(=O)[C@H]1CCOC1	ZINC000778643544	581103528	/nfs/dbraw/zinc/10/35/28/581103528.db2.gz	GOHKLTSQKDSQQR-QMMMGPOBSA-N	-1	0	298.295	0.546	20	30		CCEDRM
COCCO[N-]C(=O)C(=O)Nc1ccc(C#N)cc1	ZINC000789828016	581158744	/nfs/dbraw/zinc/15/87/44/581158744.db2.gz	WUUQVGTTYNSOEF-UHFFFAOYSA-N	-1	0	263.253	0.191	20	30		CCEDRM
N#Cc1cnn(C([O-])=CC(=O)NCC(F)(F)F)c1N	ZINC000789901677	581161486	/nfs/dbraw/zinc/16/14/86/581161486.db2.gz	SUQMJYGSZZNEJC-UHFFFAOYSA-N	-1	0	275.190	0.046	20	30		CCEDRM
Cn1nncc1S(=O)(=O)[N-]c1cc(C#N)ccc1O	ZINC000790004642	581170154	/nfs/dbraw/zinc/17/01/54/581170154.db2.gz	IQMIQBSYTDDFBM-UHFFFAOYSA-N	-1	0	279.281	0.193	20	30		CCEDRM
N#CCN(CC(=O)[O-])C(=O)CNC(=O)NC1CCCCC1	ZINC000739079104	581172545	/nfs/dbraw/zinc/17/25/45/581172545.db2.gz	RCHKSRNVFIJTGR-UHFFFAOYSA-N	-1	0	296.327	0.055	20	30		CCEDRM
N#Cc1ccccc1C=CC(=O)NCCc1nc(=O)o[n-]1	ZINC000790078110	581175963	/nfs/dbraw/zinc/17/59/63/581175963.db2.gz	BEQBUZPUVRCLTC-WAYWQWQTSA-N	-1	0	284.275	0.607	20	30		CCEDRM
N#Cc1cc(C(=O)[O-])cn(C[C@H]2CCOCO2)c1=O	ZINC000739093398	581176095	/nfs/dbraw/zinc/17/60/95/581176095.db2.gz	QZUASDZUXOZDEM-SNVBAGLBSA-N	-1	0	264.237	0.181	20	30		CCEDRM
C[C@@H](CCNC(=O)c1ccc(C#N)nc1)NC(=O)[O-]	ZINC000738908853	581180348	/nfs/dbraw/zinc/18/03/48/581180348.db2.gz	YGMYLMICSKPBIF-QMMMGPOBSA-N	-1	0	262.269	0.729	20	30		CCEDRM
CC(=NNC1=NC[C@H](C)N1)c1cc([N+](=O)[O-])ccc1[O-]	ZINC000779794194	581205647	/nfs/dbraw/zinc/20/56/47/581205647.db2.gz	DLWCPLFDWHLFDC-ZETCQYMHSA-N	-1	0	277.284	0.962	20	30		CCEDRM
C#CCCS(=O)(=O)[N-]C(=O)c1ccc2nnn(C)c2c1	ZINC000791110274	581207671	/nfs/dbraw/zinc/20/76/71/581207671.db2.gz	APHHSYRVBFQGTQ-UHFFFAOYSA-N	-1	0	292.320	0.051	20	30		CCEDRM
CC#CCS(=O)(=O)[N-]C(=O)c1cn(C)nc1CC	ZINC000791105307	581207686	/nfs/dbraw/zinc/20/76/86/581207686.db2.gz	CDOVBAUOTSRZRA-UHFFFAOYSA-N	-1	0	269.326	0.065	20	30		CCEDRM
C#CCCS(=O)(=O)[N-]C(=O)c1ccc(OC)cc1OC	ZINC000791110315	581207805	/nfs/dbraw/zinc/20/78/05/581207805.db2.gz	BZVHRXICQPBVMI-UHFFFAOYSA-N	-1	0	297.332	0.787	20	30		CCEDRM
COc1cncc(C([O-])=C(C#N)C(=O)NC2CCCC2)n1	ZINC000791776915	581234118	/nfs/dbraw/zinc/23/41/18/581234118.db2.gz	ISPVKTFAMMZURV-JTQLQIEISA-N	-1	0	288.307	0.866	20	30		CCEDRM
C=CCOCC(=O)[N-]S(=O)(=O)c1cccc(F)c1C#N	ZINC000781599215	581272785	/nfs/dbraw/zinc/27/27/85/581272785.db2.gz	OPHMHIRQYBNRRC-UHFFFAOYSA-N	-1	0	298.295	0.705	20	30		CCEDRM
COC1(C(=O)[N-]S(=O)(=O)CC(C)(C)C#N)CCC1	ZINC000781835368	581278508	/nfs/dbraw/zinc/27/85/08/581278508.db2.gz	PUAISHCJRZFYLA-UHFFFAOYSA-N	-1	0	274.342	0.551	20	30		CCEDRM
CC[C@H](NN=C(CS(=O)(=O)N(C)C)C(C)C)C(=O)[O-]	ZINC000793056718	581282658	/nfs/dbraw/zinc/28/26/58/581282658.db2.gz	JVYQOZMDMOGRIR-VIFPVBQESA-N	-1	0	293.389	0.343	20	30		CCEDRM
CC[C@@H](NN=C1C(=O)Nc2cc(F)ccc21)C(=O)[O-]	ZINC000793058563	581282772	/nfs/dbraw/zinc/28/27/72/581282772.db2.gz	VQZHGUYUWFQGTI-MRVPVSSYSA-N	-1	0	265.244	0.935	20	30		CCEDRM
CC[C@H](NN=C1CCC[C@H]1S(C)(=O)=O)C(=O)[O-]	ZINC000793072678	581283263	/nfs/dbraw/zinc/28/32/63/581283263.db2.gz	UZMGKUPUMKXKIQ-IONNQARKSA-N	-1	0	262.331	0.392	20	30		CCEDRM
COCc1ccc(C(=O)[N-]S(=O)(=O)CC2(C#N)CC2)o1	ZINC000793194321	581287847	/nfs/dbraw/zinc/28/78/47/581287847.db2.gz	IJESVDBYNBXOTD-UHFFFAOYSA-N	-1	0	298.320	0.789	20	30		CCEDRM
CC[C@@](C)(OC)C(=O)[N-]S(=O)(=O)CC1(C#N)CC1	ZINC000793212669	581288448	/nfs/dbraw/zinc/28/84/48/581288448.db2.gz	RAWNCICHZGYOID-SNVBAGLBSA-N	-1	0	274.342	0.551	20	30		CCEDRM
N#CC1(CS(=O)(=O)[N-]C(=O)COC2CCCC2)CC1	ZINC000793212705	581288537	/nfs/dbraw/zinc/28/85/37/581288537.db2.gz	SPDIZVKGYOVOIX-UHFFFAOYSA-N	-1	0	286.353	0.695	20	30		CCEDRM
N#Cc1ccc(S(=O)(=O)NC/C=C\C(=O)[O-])cc1F	ZINC000793989872	581326142	/nfs/dbraw/zinc/32/61/42/581326142.db2.gz	RZHXIGIJLTYUJK-UPHRSURJSA-N	-1	0	284.268	0.616	20	30		CCEDRM
C[C@@H]1C[C@H](Cn2ccc(C=NO)nc2=O)CCO1	ZINC000783027093	581334385	/nfs/dbraw/zinc/33/43/85/581334385.db2.gz	SLYPDQABQMUDMA-NXEZZACHSA-N	-1	0	251.286	0.867	20	30		CCEDRM
N#CC(C(=O)N1CCCC1)=C([O-])c1cnc2n[nH]nc2c1	ZINC000783068608	581335225	/nfs/dbraw/zinc/33/52/25/581335225.db2.gz	FCPMCJQZJUTNJF-SECBINFHSA-N	-1	0	284.279	0.298	20	30		CCEDRM
N#CC(C(=O)NC1CCCC1)=C([O-])c1cnc2n[nH]nc2c1	ZINC000783069990	581335308	/nfs/dbraw/zinc/33/53/08/581335308.db2.gz	PMQNECNQWXZMQI-SNVBAGLBSA-N	-1	0	298.306	0.734	20	30		CCEDRM
C#CCSCCNC(=O)N1CC[C@H](CN(C)C(=O)[O-])C1	ZINC000738469817	581343100	/nfs/dbraw/zinc/34/31/00/581343100.db2.gz	HMFJWGDVRSOAPG-LLVKDONJSA-N	-1	0	299.396	0.994	20	30		CCEDRM
N#CC(C(=O)NC1CCCC1)=C([O-])c1ncccn1	ZINC000750802105	581344612	/nfs/dbraw/zinc/34/46/12/581344612.db2.gz	ORAYVZHWGQWUEG-SNVBAGLBSA-N	-1	0	258.281	0.858	20	30		CCEDRM
N#CCn1cc([N-]S(=O)(=O)c2cnc3n2CCC3)cn1	ZINC000783529418	581348465	/nfs/dbraw/zinc/34/84/65/581348465.db2.gz	ZUOQJFROVFQQOK-UHFFFAOYSA-N	-1	0	292.324	0.350	20	30		CCEDRM
COc1cccc(COCC(=O)N(CC#N)CC(=O)[O-])c1	ZINC000738104066	581366369	/nfs/dbraw/zinc/36/63/69/581366369.db2.gz	GEKRMIXFODLNIT-UHFFFAOYSA-N	-1	0	292.291	0.649	20	30		CCEDRM
N#CCc1cccc(S(=O)(=O)[N-]N2CCCNC2=O)c1	ZINC000795174969	581400669	/nfs/dbraw/zinc/40/06/69/581400669.db2.gz	MLDRFLNDUKFKNR-UHFFFAOYSA-N	-1	0	294.336	0.361	20	30		CCEDRM
C=CCCN(C)C(=O)Cn1[n-]cc2c(=O)ncnc1-2	ZINC000786668748	581447272	/nfs/dbraw/zinc/44/72/72/581447272.db2.gz	AEXVNYBRIBVQJY-UHFFFAOYSA-N	-1	0	261.285	0.106	20	30		CCEDRM
N#Cc1cc(C(=O)[N-]S(=O)(=O)c2ccccn2)ccn1	ZINC000796718482	581449075	/nfs/dbraw/zinc/44/90/75/581449075.db2.gz	XBFVVBMFRORGQJ-UHFFFAOYSA-N	-1	0	288.288	0.467	20	30		CCEDRM
CCc1nc(C([O-])=C(C#N)C(=O)NCCOC)c(C)o1	ZINC000796789650	581450641	/nfs/dbraw/zinc/45/06/41/581450641.db2.gz	OPIHSIOGVUVARL-SECBINFHSA-N	-1	0	279.296	0.631	20	30		CCEDRM
CC(C)(C#N)CS(=O)(=O)[N-]C(=O)CCc1cnccn1	ZINC000796812620	581451268	/nfs/dbraw/zinc/45/12/68/581451268.db2.gz	QECOXCYIYGESSK-UHFFFAOYSA-N	-1	0	296.352	0.405	20	30		CCEDRM
CCOCCS(=O)(=O)[N-]C(=O)c1ccc(C#N)o1	ZINC000796865534	581452449	/nfs/dbraw/zinc/45/24/49/581452449.db2.gz	UCZKQPQRELDSOI-UHFFFAOYSA-N	-1	0	272.282	0.247	20	30		CCEDRM
Cc1nc2cc[n-]n2c(=O)c1CC(=O)OCCCC#N	ZINC000733545738	581511299	/nfs/dbraw/zinc/51/12/99/581511299.db2.gz	IAUBCTVPMLRMDR-UHFFFAOYSA-N	-1	0	274.280	0.721	20	30		CCEDRM
C[C@H]1CN(C(=O)c2ccc(C#N)cn2)CCN1C(=O)[O-]	ZINC000739166750	581515182	/nfs/dbraw/zinc/51/51/82/581515182.db2.gz	MVPQTFQBSVCVMP-VIFPVBQESA-N	-1	0	274.280	0.778	20	30		CCEDRM
CCn1cc(C([O-])=C(C#N)C(=O)N2CCCC2)cn1	ZINC000734079617	581542899	/nfs/dbraw/zinc/54/28/99/581542899.db2.gz	SGWOPYHUNMVZAM-LLVKDONJSA-N	-1	0	260.297	0.848	20	30		CCEDRM
Cc1nn(C)cc1C(=O)[N-]S(=O)(=O)CC1(C#N)CC1	ZINC000753945285	581566141	/nfs/dbraw/zinc/56/61/41/581566141.db2.gz	MGGZYHGKBPEKJS-UHFFFAOYSA-N	-1	0	282.325	0.092	20	30		CCEDRM
C[C@H](C#N)CN(C)C(=O)NCCN(C(=O)[O-])C1CC1	ZINC000738595854	581575958	/nfs/dbraw/zinc/57/59/58/581575958.db2.gz	ASAMMVHZOPAOCL-SECBINFHSA-N	-1	0	268.317	0.930	20	30		CCEDRM
CN(CC#N)C(=O)CN(C[C@H]1CCCO1)C(=O)[O-]	ZINC000739617980	581581979	/nfs/dbraw/zinc/58/19/79/581581979.db2.gz	TZQTZGDJYYIPFY-SECBINFHSA-N	-1	0	255.274	0.127	20	30		CCEDRM
CN(CCN1CCN(C(=O)[O-])CC1)C[C@@H](C#N)CCC#N	ZINC000739685720	581592873	/nfs/dbraw/zinc/59/28/73/581592873.db2.gz	WXUNDJHPIWZQDC-CYBMUJFWSA-N	-1	0	293.371	0.657	20	30		CCEDRM
C#CCCS(=O)(=O)[N-]C(=O)C1(CCOC)CC1	ZINC000788067521	581610253	/nfs/dbraw/zinc/61/02/53/581610253.db2.gz	FYBVCWHHDCTKHP-UHFFFAOYSA-N	-1	0	259.327	0.272	20	30		CCEDRM
C#CCCS(=O)(=O)[N-]C(=O)c1ccc(COC)o1	ZINC000788067588	581611269	/nfs/dbraw/zinc/61/12/69/581611269.db2.gz	HFVYQGXMZZSRRV-UHFFFAOYSA-N	-1	0	271.294	0.509	20	30		CCEDRM
COC1(C(=O)NC[C@H](C)C#N)CCN(C(=O)[O-])CC1	ZINC000739798969	581618414	/nfs/dbraw/zinc/61/84/14/581618414.db2.gz	MGGSIIHEVQHQIQ-SECBINFHSA-N	-1	0	269.301	0.421	20	30		CCEDRM
COc1cc(C=NNCCCO)cc([N+](=O)[O-])c1[O-]	ZINC000729933337	581624641	/nfs/dbraw/zinc/62/46/41/581624641.db2.gz	XSBCIUVRDIIJNB-UHFFFAOYSA-N	-1	0	269.257	0.615	20	30		CCEDRM
COCCN(CC(=O)N[C@H](C#N)C1CC1)C(=O)[O-]	ZINC000739822476	581625150	/nfs/dbraw/zinc/62/51/50/581625150.db2.gz	LEPNAPSPHNSPCO-SECBINFHSA-N	-1	0	255.274	0.031	20	30		CCEDRM
CN(CC(=O)OCC(=O)Nc1sccc1C#N)C(=O)[O-]	ZINC000739631746	581628372	/nfs/dbraw/zinc/62/83/72/581628372.db2.gz	VCLFWYPDAIDNFZ-UHFFFAOYSA-N	-1	0	297.292	0.711	20	30		CCEDRM
CC#CCCCC(=O)[N-]S(=O)(=O)c1cnn(CC)c1	ZINC000767991894	581639783	/nfs/dbraw/zinc/63/97/83/581639783.db2.gz	BIJXSLAMTZSQST-UHFFFAOYSA-N	-1	0	283.353	0.902	20	30		CCEDRM
CCn1nc(C)c(C=Nn2c(=O)c(C)n[n-]c2=S)c1C	ZINC000755510046	581643267	/nfs/dbraw/zinc/64/32/67/581643267.db2.gz	BUQDBPQXHMAHQV-UHFFFAOYSA-N	-1	0	292.368	0.951	20	30		CCEDRM
Cc1nnc(NN=Cc2cnc(N(C)C)s2)[n-]c1=O	ZINC000755526179	581643805	/nfs/dbraw/zinc/64/38/05/581643805.db2.gz	ZYXQVOLXAPGKEP-UHFFFAOYSA-N	-1	0	279.329	0.854	20	30		CCEDRM
C#CCCS(=O)(=O)[N-]C(=O)Cc1ccc2c(c1)OCO2	ZINC000788070212	581644202	/nfs/dbraw/zinc/64/42/02/581644202.db2.gz	JFYIILVNEFOYTR-UHFFFAOYSA-N	-1	0	295.316	0.427	20	30		CCEDRM
CC(C)[C@@H](C)C(=O)Nc1nc(C#N)c(-c2nn[nH]n2)[n-]1	ZINC000735703207	581651014	/nfs/dbraw/zinc/65/10/14/581651014.db2.gz	SSYHHXDJDHXUEK-ZCFIWIBFSA-N	-1	0	274.288	0.692	20	30		CCEDRM
CC#CCS(=O)(=O)[N-]C(=O)Cc1cc(F)ccc1F	ZINC000788072914	581658550	/nfs/dbraw/zinc/65/85/50/581658550.db2.gz	YEYFGRHGTBCQDC-UHFFFAOYSA-N	-1	0	287.287	0.977	20	30		CCEDRM
N#CCCCCS(=O)(=O)N[C@H]1CCN(C(=O)[O-])C1	ZINC000740307614	581663438	/nfs/dbraw/zinc/66/34/38/581663438.db2.gz	SCTTVEJROCIXOC-VIFPVBQESA-N	-1	0	275.330	0.352	20	30		CCEDRM
N#CCCCS(=O)(=O)NC1CCC(NC(=O)[O-])CC1	ZINC000740307704	581663487	/nfs/dbraw/zinc/66/34/87/581663487.db2.gz	SRESOXYTWMWCEV-UHFFFAOYSA-N	-1	0	289.357	0.788	20	30		CCEDRM
N#CC1(C(=O)N[C@@H](CNC(=O)[O-])C2CC2)CCC1	ZINC000740310690	581663884	/nfs/dbraw/zinc/66/38/84/581663884.db2.gz	VNXSBTVQEFCASN-VIFPVBQESA-N	-1	0	251.286	0.843	20	30		CCEDRM
N#Cc1cc([N+](=O)[O-])cnc1N1CC[C@@H](CNC(=O)[O-])C1	ZINC000740312297	581664460	/nfs/dbraw/zinc/66/44/60/581664460.db2.gz	CTEHOWYYYTVORG-QMMMGPOBSA-N	-1	0	291.267	0.955	20	30		CCEDRM
N#Cc1cc(S(=O)(=O)NCCNC(=O)[O-])ccc1F	ZINC000740313124	581664524	/nfs/dbraw/zinc/66/45/24/581664524.db2.gz	JGIIOGQLQWUGMM-UHFFFAOYSA-N	-1	0	287.272	0.243	20	30		CCEDRM
N#Cc1ccc(S(=O)(=O)N2CC[C@@H](NC(=O)[O-])C2)cc1	ZINC000740321629	581665166	/nfs/dbraw/zinc/66/51/66/581665166.db2.gz	PXQHEMVULQACON-SNVBAGLBSA-N	-1	0	295.320	0.589	20	30		CCEDRM
N#Cc1cccnc1NCCNC(=O)CSCC(=O)[O-]	ZINC000740321850	581665405	/nfs/dbraw/zinc/66/54/05/581665405.db2.gz	JTWKQBWJIPYXOQ-UHFFFAOYSA-N	-1	0	294.336	0.299	20	30		CCEDRM
N#Cc1ccccc1OCC(=O)N1CC[C@H](NC(=O)[O-])C1	ZINC000740323381	581665762	/nfs/dbraw/zinc/66/57/62/581665762.db2.gz	LLZWWZIUXKWREZ-NSHDSACASA-N	-1	0	289.291	0.806	20	30		CCEDRM
N#Cc1nccnc1NCCCN1CCN(C(=O)[O-])CC1	ZINC000740325647	581665774	/nfs/dbraw/zinc/66/57/74/581665774.db2.gz	WNGISFHXHVPQTK-UHFFFAOYSA-N	-1	0	290.327	0.446	20	30		CCEDRM
CNC(=O)C(C#N)=C([O-])c1ccnc(N2CCCCC2)n1	ZINC000740536320	581692767	/nfs/dbraw/zinc/69/27/67/581692767.db2.gz	RMWKUBKTPYUPBE-SNVBAGLBSA-N	-1	0	287.323	0.535	20	30		CCEDRM
C=CCNC(=O)[C@H](C#N)C(=O)CCCN(C)C(=O)[O-]	ZINC000736106358	581697033	/nfs/dbraw/zinc/69/70/33/581697033.db2.gz	BAIOVHBXPDTLAS-SECBINFHSA-N	-1	0	267.285	0.387	20	30		CCEDRM
C=CCN(CC=C)C(=O)[C@H](C)OC(=O)[C@@H]1C[C@H]1C(=O)[O-]	ZINC000736108479	581698230	/nfs/dbraw/zinc/69/82/30/581698230.db2.gz	UVUJZYIKNWEEHL-HBNTYKKESA-N	-1	0	281.308	0.839	20	30		CCEDRM
C=CCN(CC=C)C(=O)[C@H](C)OC(=O)[C@H]1C[C@@H]1C(=O)[O-]	ZINC000736108476	581698724	/nfs/dbraw/zinc/69/87/24/581698724.db2.gz	UVUJZYIKNWEEHL-DCAQKATOSA-N	-1	0	281.308	0.839	20	30		CCEDRM
C#Cc1ccc(C(=O)N[C@@H]2CCCN(C(=O)[O-])C2)nc1	ZINC000736092944	581701084	/nfs/dbraw/zinc/70/10/84/581701084.db2.gz	ODUJARIBHBTZSY-LLVKDONJSA-N	-1	0	273.292	0.935	20	30		CCEDRM
C=C(Cn1cc([N+](=O)[O-])cc(C(=O)[O-])c1=O)C(=O)OCC	ZINC000736094666	581702012	/nfs/dbraw/zinc/70/20/12/581702012.db2.gz	QNWMBTNMISXKCB-UHFFFAOYSA-N	-1	0	296.235	0.574	20	30		CCEDRM
O=C([O-])NC[C@@H]1CCCC1=NN[C@H]1CCS(=O)(=O)C1	ZINC000740621738	581702530	/nfs/dbraw/zinc/70/25/30/581702530.db2.gz	YUDWUXOZXYZGJP-IUCAKERBSA-N	-1	0	289.357	0.187	20	30		CCEDRM
CC(=O)c1[nH]c(CC(=O)OCC#N)c(C(=O)[O-])c1C	ZINC000736175184	581713343	/nfs/dbraw/zinc/71/33/43/581713343.db2.gz	BZXYQEBWFIUASI-UHFFFAOYSA-N	-1	0	264.237	0.833	20	30		CCEDRM
CC(C)C[C@@H](C#N)NC(=O)Cn1[n-]cc2c(=O)ncnc1-2	ZINC000730542645	581719385	/nfs/dbraw/zinc/71/93/85/581719385.db2.gz	XXSROXIIUZAFLF-VIFPVBQESA-N	-1	0	288.311	0.126	20	30		CCEDRM
CCCc1nc(Cn2ccc(C=NO)nc2=O)no1	ZINC000736302110	581733098	/nfs/dbraw/zinc/73/30/98/581733098.db2.gz	GAUIPTQUBKBLJE-UHFFFAOYSA-N	-1	0	263.257	0.435	20	30		CCEDRM
CC[C@](C)(C#N)NC(=O)c1ccc(-c2nn[nH]n2)nc1	ZINC000736315049	581737278	/nfs/dbraw/zinc/73/72/78/581737278.db2.gz	VMWCVJPFYSPVMR-GFCCVEGCSA-N	-1	0	271.284	0.684	20	30		CCEDRM
CC(C)(NC(=O)[O-])C(=O)OCC(=O)N[C@@](C)(C#N)C1CC1	ZINC000736333284	581743862	/nfs/dbraw/zinc/74/38/62/581743862.db2.gz	PGRDMAAXZIJXHM-ZDUSSCGKSA-N	-1	0	297.311	0.384	20	30		CCEDRM
CC(C)[C@H](C#N)N1CCN(C(=O)CCCNC(=O)[O-])CC1	ZINC000736347239	581746429	/nfs/dbraw/zinc/74/64/29/581746429.db2.gz	HRAYIPIHZUALMS-LBPRGKRZSA-N	-1	0	296.371	0.727	20	30		CCEDRM
CC(C)C[C@H](NC(=O)[O-])C(=O)N1CCO[C@H](C#N)C1	ZINC000736418625	581763409	/nfs/dbraw/zinc/76/34/09/581763409.db2.gz	BWGZKSWIYMSUGI-ZJUUUORDSA-N	-1	0	269.301	0.420	20	30		CCEDRM
CC(C)C[N@H+](CCC#N)CCC(=O)N(C)CC(=O)[O-]	ZINC000736437546	581766442	/nfs/dbraw/zinc/76/64/42/581766442.db2.gz	LIAFKGCZHFVLIB-UHFFFAOYSA-N	-1	0	269.345	0.791	20	30		CCEDRM
CCCCOCC(=O)Nc1nc(C#N)c(-c2nn[nH]n2)[n-]1	ZINC000736460825	581771033	/nfs/dbraw/zinc/77/10/33/581771033.db2.gz	RPIWTSQNRIKXNU-UHFFFAOYSA-N	-1	0	290.287	0.217	20	30		CCEDRM
Cn1ccnc1C([O-])=C(C#N)C(=O)COC[C@H]1CCCO1	ZINC000770865274	581775700	/nfs/dbraw/zinc/77/57/00/581775700.db2.gz	FAACIKLXORFUHS-GHMZBOCLSA-N	-1	0	291.307	0.507	20	30		CCEDRM
COC[C@H](/N=C\c1cc([N+](=O)[O-])ccc1[O-])C(N)=O	ZINC000759035843	581781044	/nfs/dbraw/zinc/78/10/44/581781044.db2.gz	LTQSTOHFHGUNNE-OUPPCGJOSA-N	-1	0	267.241	0.220	20	30		CCEDRM
COC(=O)C[C@H](C)C(=O)Nc1nc(C#N)c(C#N)[n-]1	ZINC000759078050	581781679	/nfs/dbraw/zinc/78/16/79/581781679.db2.gz	ZCFMJEHUUQJKMK-LURJTMIESA-N	-1	0	261.241	0.291	20	30		CCEDRM
CNC(=O)C(C#N)=C([O-])c1cc(Br)nn1C	ZINC000759435243	581798821	/nfs/dbraw/zinc/79/88/21/581798821.db2.gz	HFWSMOYOAAUCAH-YFKPBYRVSA-N	-1	0	285.101	0.251	20	30		CCEDRM
C[C@@H](NC(=O)c1cccs1)C(=O)N(CC#N)CC(=O)[O-]	ZINC000736660040	581810417	/nfs/dbraw/zinc/81/04/17/581810417.db2.gz	COWZWFZFQRVJHJ-MRVPVSSYSA-N	-1	0	295.320	0.303	20	30		CCEDRM
C[C@@H](OC[C@@H]1CCCO1)C(=O)N(CC#N)CC(=O)[O-]	ZINC000736697806	581820595	/nfs/dbraw/zinc/82/05/95/581820595.db2.gz	SHWNIKSCDRVPIJ-ZJUUUORDSA-N	-1	0	270.285	0.007	20	30		CCEDRM
C#Cc1cccc(-n2c([O-])c(C(=O)OCC)[nH]c2=O)c1	ZINC000771841846	581829468	/nfs/dbraw/zinc/82/94/68/581829468.db2.gz	KIVYFDNEHALHHA-LLVKDONJSA-N	-1	0	272.260	0.656	20	30		CCEDRM
CCCCCNC(=O)C(C#N)=C([O-])c1nnn(C)c1C	ZINC000744021677	581830022	/nfs/dbraw/zinc/83/00/22/581830022.db2.gz	CAHBSFDEDOTIAB-SNVBAGLBSA-N	-1	0	277.328	0.752	20	30		CCEDRM
Cc1ccc(C#N)cc1S(=O)(=O)[N-]C(=O)C1=COCC1	ZINC000744144855	581832729	/nfs/dbraw/zinc/83/27/29/581832729.db2.gz	ZZFASXIYIWJQDZ-UHFFFAOYSA-N	-1	0	292.316	0.976	20	30		CCEDRM
C=CCCO[C@@H](C)C(=O)[N-]S(=O)(=O)CCOC	ZINC000732522580	581833392	/nfs/dbraw/zinc/83/33/92/581833392.db2.gz	AYEZPKMOGGPKIJ-VIFPVBQESA-N	-1	0	265.331	0.060	20	30		CCEDRM
C=CC[C@H](CO)CNC(=O)C(C)(C)[N-]C(=O)C(F)(F)F	ZINC000760492490	581861947	/nfs/dbraw/zinc/86/19/47/581861947.db2.gz	UBPTVLZPVPZNCB-QMMMGPOBSA-N	-1	0	296.289	0.744	20	30		CCEDRM
C=CCS(=O)(=O)[N-]C(=O)Cc1ccccc1OC	ZINC000772715743	581885348	/nfs/dbraw/zinc/88/53/48/581885348.db2.gz	PVQVINNTNVKYOL-UHFFFAOYSA-N	-1	0	269.322	0.870	20	30		CCEDRM
CCCN(CC(=O)[O-])CC(=O)N[C@](C)(C#N)C1CC1	ZINC000737013196	581885555	/nfs/dbraw/zinc/88/55/55/581885555.db2.gz	BGKZPBKMVQBCCU-CYBMUJFWSA-N	-1	0	267.329	0.591	20	30		CCEDRM
COCCS(=O)(=O)[N-]C(=O)Cc1ccccc1CC#N	ZINC000761105463	581888577	/nfs/dbraw/zinc/88/85/77/581888577.db2.gz	UYASLCNCEBJPAO-UHFFFAOYSA-N	-1	0	296.348	0.388	20	30		CCEDRM
CCN(C[C@H](C)C#N)C(=O)COC(=O)[C@H]1C[C@H]1C(=O)[O-]	ZINC000737078388	581897927	/nfs/dbraw/zinc/89/79/27/581897927.db2.gz	LCAREDAQZKSTLL-BBBLOLIVSA-N	-1	0	282.296	0.258	20	30		CCEDRM
CCN(CCC#N)C(=O)COC(=O)C(C)(C)NC(=O)[O-]	ZINC000737094211	581902329	/nfs/dbraw/zinc/90/23/29/581902329.db2.gz	LOWHAUYVBISLEI-UHFFFAOYSA-N	-1	0	285.300	0.338	20	30		CCEDRM
CN(CC#N)CC(=O)N(C)c1ccccc1C(=O)[O-]	ZINC000737386071	581950497	/nfs/dbraw/zinc/95/04/97/581950497.db2.gz	ISZXEALMXNIFJZ-UHFFFAOYSA-N	-1	0	261.281	0.803	20	30		CCEDRM
CN(CC(=O)N(CC#N)CC(=O)[O-])c1ccc(Cl)cn1	ZINC000737388398	581950973	/nfs/dbraw/zinc/95/09/73/581950973.db2.gz	ZPDVGVLPOWECNF-UHFFFAOYSA-N	-1	0	296.714	0.608	20	30		CCEDRM
CN(CCCC(=O)[C@@H](C#N)C(=O)NC1CC1)C(=O)[O-]	ZINC000737415040	581955209	/nfs/dbraw/zinc/95/52/09/581955209.db2.gz	BLSPHNXYPDWZAR-SECBINFHSA-N	-1	0	267.285	0.364	20	30		CCEDRM
CN(CCCC(=O)[C@@H](C#N)C(=O)N1CCCC1)C(=O)[O-]	ZINC000737415543	581955806	/nfs/dbraw/zinc/95/58/06/581955806.db2.gz	PZHWKPVOIIOUBV-SNVBAGLBSA-N	-1	0	281.312	0.708	20	30		CCEDRM
CN1CCC(C#N)(NC(=O)c2cccc(C(=O)[O-])n2)CC1	ZINC000737509955	581969139	/nfs/dbraw/zinc/96/91/39/581969139.db2.gz	UXODYWVCFJCLNU-UHFFFAOYSA-N	-1	0	288.307	0.498	20	30		CCEDRM
Cc1c(C(=O)Nc2cc(C#N)ccc2[O-])nnn1C	ZINC000748410786	581974042	/nfs/dbraw/zinc/97/40/42/581974042.db2.gz	PCTJSROIOGCIFL-UHFFFAOYSA-N	-1	0	257.253	0.953	20	30		CCEDRM
CN1CCN(CC(=O)Nc2cc(C#N)ccc2[O-])CC1	ZINC000748411238	581974142	/nfs/dbraw/zinc/97/41/42/581974142.db2.gz	XWLISEXBZGLPJW-UHFFFAOYSA-N	-1	0	274.324	0.450	20	30		CCEDRM
Cc1ncc([N+](=O)[O-])cc1C(=O)N(CC#N)CC(=O)[O-]	ZINC000738887531	581977599	/nfs/dbraw/zinc/97/75/99/581977599.db2.gz	BZHJMPDJXASEPH-UHFFFAOYSA-N	-1	0	278.224	0.349	20	30		CCEDRM
C=CCS(=O)(=O)[N-]C(=O)c1cccc(NC(N)=O)c1	ZINC000763033886	581979376	/nfs/dbraw/zinc/97/93/76/581979376.db2.gz	LVWQFECQGHTURC-UHFFFAOYSA-N	-1	0	283.309	0.423	20	30		CCEDRM
COC(=O)CN(CC(=O)[O-])Cc1ccc(C#N)cc1F	ZINC000737614860	581991942	/nfs/dbraw/zinc/99/19/42/581991942.db2.gz	GEZVJLGSGXHJAW-UHFFFAOYSA-N	-1	0	280.255	0.757	20	30		CCEDRM
COc1cccc(Cn2cc(C(=O)[O-])cc(C#N)c2=O)n1	ZINC000738101856	582022139	/nfs/dbraw/zinc/02/21/39/582022139.db2.gz	DRMPEWQNLDNCLO-UHFFFAOYSA-N	-1	0	285.259	0.870	20	30		CCEDRM
C[C@@H](CO)NN=Cc1ccc(OCC(=O)[O-])c([N+](=O)[O-])c1	ZINC000749818432	582023894	/nfs/dbraw/zinc/02/38/94/582023894.db2.gz	WUKFXXYHMIMUFS-QMMMGPOBSA-N	-1	0	297.267	0.363	20	30		CCEDRM
N#CCCCS(=O)(=O)[N-]C(=O)c1cc2n(n1)CCCO2	ZINC000764052743	582029293	/nfs/dbraw/zinc/02/92/93/582029293.db2.gz	MWIVYSKSNKIZPT-UHFFFAOYSA-N	-1	0	298.324	0.029	20	30		CCEDRM
C=CCCOCC(=O)[N-]S(=O)(=O)CCC(C)(C)OC	ZINC000764311335	582042053	/nfs/dbraw/zinc/04/20/53/582042053.db2.gz	QBIBGJKRIHIYCD-UHFFFAOYSA-N	-1	0	293.385	0.840	20	30		CCEDRM
N#Cc1nncn1CC(=O)Nc1ccc(C(=O)[O-])cc1	ZINC000738435976	582049563	/nfs/dbraw/zinc/04/95/63/582049563.db2.gz	VXLHJAUTKWPLGB-UHFFFAOYSA-N	-1	0	271.236	0.487	20	30		CCEDRM
Cc1cc(C(=O)[N-]S(=O)(=O)CCCC#N)nn1C	ZINC000776117888	582052428	/nfs/dbraw/zinc/05/24/28/582052428.db2.gz	ZGFPHYUMKIBGAQ-UHFFFAOYSA-N	-1	0	270.314	0.092	20	30		CCEDRM
COCCCOCC(=O)[N-]S(=O)(=O)CC(C)(C)C#N	ZINC000776138129	582053378	/nfs/dbraw/zinc/05/33/78/582053378.db2.gz	FEWORIJIIHQLHZ-UHFFFAOYSA-N	-1	0	292.357	0.035	20	30		CCEDRM
C#CCOC(=O)C1=NN(c2ccccc2)[C@@H](C(=O)[O-])C1	ZINC000738463328	582053771	/nfs/dbraw/zinc/05/37/71/582053771.db2.gz	PZMQDFGWQQKGBU-GFCCVEGCSA-N	-1	0	272.260	0.882	20	30		CCEDRM
C#CCSCCNC(=O)N[C@@H]1CCN(C(=O)[O-])C1	ZINC000738470060	582054324	/nfs/dbraw/zinc/05/43/24/582054324.db2.gz	MRGCLOJVNQNTEG-SECBINFHSA-N	-1	0	271.342	0.404	20	30		CCEDRM
C#Cc1ccc(C(=O)NC[C@@H]2CCCN2C(=O)[O-])nc1	ZINC000738468484	582054352	/nfs/dbraw/zinc/05/43/52/582054352.db2.gz	XBKSXZCTVRDLIC-NSHDSACASA-N	-1	0	273.292	0.935	20	30		CCEDRM
C#CCOc1ccccc1CNC(=O)NCCNC(=O)[O-]	ZINC000738470874	582054428	/nfs/dbraw/zinc/05/44/28/582054428.db2.gz	SUYPKGBBTCEDGW-UHFFFAOYSA-N	-1	0	291.307	0.765	20	30		CCEDRM
C=CCNC(=O)COC(=O)[C@H]1CCC[C@H]1NC(=O)[O-]	ZINC000738496286	582056416	/nfs/dbraw/zinc/05/64/16/582056416.db2.gz	VVCUOYVMXIHLGI-DTWKUNHWSA-N	-1	0	270.285	0.268	20	30		CCEDRM
CC(=NNCCS(C)(=O)=O)c1cccc(C(=O)[O-])c1	ZINC000764692213	582062824	/nfs/dbraw/zinc/06/28/24/582062824.db2.gz	NLEBDGMEXFCAQK-UHFFFAOYSA-N	-1	0	284.337	0.743	20	30		CCEDRM
C[C@H](C#N)CNC(=O)[C@@H]1[C@H](C)OC(C)(C)N1C(=O)[O-]	ZINC000738597931	582064825	/nfs/dbraw/zinc/06/48/25/582064825.db2.gz	WEBAHPINPFTONK-VGMNWLOBSA-N	-1	0	269.301	0.766	20	30		CCEDRM
N#CCCCS(=O)(=O)[N-]C(=O)[C@@H]1C[C@@]12CCOC2	ZINC000764791878	582069151	/nfs/dbraw/zinc/06/91/51/582069151.db2.gz	WWEJGOWVJWPQEA-GXSJLCMTSA-N	-1	0	272.326	0.163	20	30		CCEDRM
CC(C)(CC(=O)N1CCN(C2CC2)[C@H](C#N)C1)NC(=O)[O-]	ZINC000738729646	582072054	/nfs/dbraw/zinc/07/20/54/582072054.db2.gz	BXMGNJJJHOKNNI-LLVKDONJSA-N	-1	0	294.355	0.621	20	30		CCEDRM
C=CC[C@@H](NS(=O)(=O)c1cn2c(n1)CCCC2)C(=O)[O-]	ZINC000776445868	582073534	/nfs/dbraw/zinc/07/35/34/582073534.db2.gz	XYDQQTUOJALONF-SECBINFHSA-N	-1	0	299.352	0.527	20	30		CCEDRM
CC[C@H](C)C[C@@H](NS(=O)(=O)N(C)CCC#N)C(=O)[O-]	ZINC000776615444	582085084	/nfs/dbraw/zinc/08/50/84/582085084.db2.gz	LXJIYAINHXDLCW-VHSXEESVSA-N	-1	0	291.373	0.556	20	30		CCEDRM
C[C@H](CC#N)N(C)C(=O)CN(C[C@H]1CCCO1)C(=O)[O-]	ZINC000738890991	582085878	/nfs/dbraw/zinc/08/58/78/582085878.db2.gz	BIQCEDGUORYQSO-GHMZBOCLSA-N	-1	0	283.328	0.906	20	30		CCEDRM
Cn1cc(C#N)cc1C(=O)[N-]S(=O)(=O)c1ccccn1	ZINC000751845938	582094527	/nfs/dbraw/zinc/09/45/27/582094527.db2.gz	UTXVILFEYVLPHN-UHFFFAOYSA-N	-1	0	290.304	0.410	20	30		CCEDRM
C[C@@H](Oc1ccccc1C#N)C(=O)NC1CN(C(=O)[O-])C1	ZINC000739052815	582099540	/nfs/dbraw/zinc/09/95/40/582099540.db2.gz	FJEYZAUCNGSXME-SECBINFHSA-N	-1	0	289.291	0.804	20	30		CCEDRM
N#CC1(C(=O)NCCSCCC(=O)[O-])CCOCC1	ZINC000739066374	582100205	/nfs/dbraw/zinc/10/02/05/582100205.db2.gz	KYMSORSXZJGISB-UHFFFAOYSA-N	-1	0	286.353	0.631	20	30		CCEDRM
N#C[C@@H](C(=O)CCSCC(=O)[O-])C(=O)NC1CC1	ZINC000739074998	582101168	/nfs/dbraw/zinc/10/11/68/582101168.db2.gz	PDZQWYHGRIDPJC-QMMMGPOBSA-N	-1	0	270.310	0.182	20	30		CCEDRM
N#C[C@H](C(=O)Nc1ccccn1)C(=O)[C@H]1C[C@H]1C(=O)[O-]	ZINC000739074063	582101324	/nfs/dbraw/zinc/10/13/24/582101324.db2.gz	GQLNBJFQGYFEII-YIZRAAEISA-N	-1	0	273.248	0.450	20	30		CCEDRM
N#CCN(CC(=O)[O-])C(=O)CCc1cscn1	ZINC000739078178	582101394	/nfs/dbraw/zinc/10/13/94/582101394.db2.gz	YQPGQQGBVNBHSH-UHFFFAOYSA-N	-1	0	253.283	0.512	20	30		CCEDRM
N#CCN(CC(=O)[O-])C(=O)CCn1cnc2ccccc21	ZINC000739078252	582101406	/nfs/dbraw/zinc/10/14/06/582101406.db2.gz	ZVFMNWYCXTWGPW-UHFFFAOYSA-N	-1	0	286.291	0.863	20	30		CCEDRM
N#CCN(CC(=O)[O-])C(=O)c1scnc1Cl	ZINC000739084946	582101857	/nfs/dbraw/zinc/10/18/57/582101857.db2.gz	AHCKEEREMGYJMN-UHFFFAOYSA-N	-1	0	259.674	0.847	20	30		CCEDRM
N#CCN(CC(=O)[O-])S(=O)(=O)Cc1ccccc1	ZINC000739085142	582101883	/nfs/dbraw/zinc/10/18/83/582101883.db2.gz	CNTJCBMDFXXLPW-UHFFFAOYSA-N	-1	0	268.294	0.427	20	30		CCEDRM
N#CCN1CCC(NC(=O)CCSCC(=O)[O-])CC1	ZINC000739086015	582101932	/nfs/dbraw/zinc/10/19/32/582101932.db2.gz	MZMOEBRGYXRVBR-UHFFFAOYSA-N	-1	0	285.369	0.298	20	30		CCEDRM
N#CCN(CC(=O)[O-])S(=O)(=O)c1cc(F)cc(F)c1	ZINC000739087426	582102180	/nfs/dbraw/zinc/10/21/80/582102180.db2.gz	YQXUEHQGSBGJOW-UHFFFAOYSA-N	-1	0	290.247	0.564	20	30		CCEDRM
COc1cccc(NN=Cc2cn(CC(=O)[O-])nn2)c1	ZINC000768484286	582107150	/nfs/dbraw/zinc/10/71/50/582107150.db2.gz	YCFVZCDAIVRURI-UHFFFAOYSA-N	-1	0	275.268	0.817	20	30		CCEDRM
CC[S@](C)(=O)=NS(=O)(=O)[N-]C[C@H](C)C#N	ZINC000866895731	616021200	/nfs/dbraw/zinc/02/12/00/616021200.db2.gz	YHGJLFBTUKKXJO-UOWDBTKRSA-N	-1	0	253.349	0.098	20	30		CCEDRM
COCCN(CC(=O)O[C@@H](C#N)C(C)C)C(=O)[O-]	ZINC000828979971	616987216	/nfs/dbraw/zinc/98/72/16/616987216.db2.gz	PPWKWHRSZAQNKW-VIFPVBQESA-N	-1	0	258.274	0.704	20	30		CCEDRM
N#Cc1ccc(NC(=O)CSCC(=O)[O-])nc1	ZINC000691122086	597092374	/nfs/dbraw/zinc/09/23/74/597092374.db2.gz	WCCBNSLNWHGPIC-UHFFFAOYSA-N	-1	0	251.267	0.710	20	30		CCEDRM
C[C@H](C(=O)[O-])N(C)CCS(=O)(=O)c1cccc(C#N)c1	ZINC000163337593	597387576	/nfs/dbraw/zinc/38/75/76/597387576.db2.gz	YDOIIIHXRXSANT-SNVBAGLBSA-N	-1	0	296.348	0.737	20	30		CCEDRM
N#CC1(C(=O)N2CC[C@@H](C(=O)[O-])C2)CCOCC1	ZINC000819084122	597497455	/nfs/dbraw/zinc/49/74/55/597497455.db2.gz	BGZOXKQSCRDWLO-SECBINFHSA-N	-1	0	252.270	0.240	20	30		CCEDRM
N#Cc1ccccc1S(=O)(=O)N1CC[C@H](C(=O)[O-])C1	ZINC000062119816	597533138	/nfs/dbraw/zinc/53/31/38/597533138.db2.gz	FNKFFZLNKHEOJT-JTQLQIEISA-N	-1	0	280.305	0.653	20	30		CCEDRM
C[C@@](C#N)(CC(=O)[O-])C(=O)NCc1cccc(F)n1	ZINC000819842577	597603413	/nfs/dbraw/zinc/60/34/13/597603413.db2.gz	RSGIWLOGCBJCKY-LBPRGKRZSA-N	-1	0	265.244	0.841	20	30		CCEDRM
C[C@@](C#N)(CC(=O)[O-])C(=O)N1CCC[C@@H](CO)C1	ZINC000819811245	597632864	/nfs/dbraw/zinc/63/28/64/597632864.db2.gz	MIEYPLMIKMPDRD-SKDRFNHKSA-N	-1	0	254.286	0.222	20	30		CCEDRM
C[C@](C#N)(CC(=O)[O-])C(=O)NCC(=O)N1CCCCC1	ZINC000819832249	597634280	/nfs/dbraw/zinc/63/42/80/597634280.db2.gz	ANAXSWFDBPLHJC-CYBMUJFWSA-N	-1	0	281.312	0.120	20	30		CCEDRM
C[C@](C#N)(CC(=O)[O-])C(=O)NCCNc1ncccn1	ZINC000819841618	597637700	/nfs/dbraw/zinc/63/77/00/597637700.db2.gz	BUZYEQQPSWUVOW-GFCCVEGCSA-N	-1	0	277.284	0.009	20	30		CCEDRM
C[C@](C#N)(CC(=O)[O-])C(=O)N1CCC[C@@H](n2cncn2)C1	ZINC000819811298	597644000	/nfs/dbraw/zinc/64/40/00/597644000.db2.gz	NAMXEKCSMWLDQC-ZWNOBZJWSA-N	-1	0	291.311	0.446	20	30		CCEDRM
Cn1ccnc1CNC(=O)[C@](C)(C#N)CC(=O)[O-]	ZINC000821304715	597644995	/nfs/dbraw/zinc/64/49/95/597644995.db2.gz	CQTSYZAXTKGSQH-NSHDSACASA-N	-1	0	250.258	0.041	20	30		CCEDRM
C[C@](C#N)(CC(=O)[O-])C(=O)NC[C@@H](CO)c1ccccc1	ZINC000819835499	597653976	/nfs/dbraw/zinc/65/39/76/597653976.db2.gz	VTYWYSSIITWERT-SWLSCSKDSA-N	-1	0	290.319	0.883	20	30		CCEDRM
N#Cc1ccc([C@@H](O)C(=O)N2CC[C@H](C(=O)[O-])C2)cc1	ZINC000821329546	597668860	/nfs/dbraw/zinc/66/88/60/597668860.db2.gz	ASCMPLMOUUHNQN-NWDGAFQWSA-N	-1	0	274.276	0.525	20	30		CCEDRM
Cc1cc(C=NNCCC(=O)[O-])ccc1-n1cncn1	ZINC000820976326	597739213	/nfs/dbraw/zinc/73/92/13/597739213.db2.gz	AYLGYGUVRVWXJK-UHFFFAOYSA-N	-1	0	273.296	0.974	20	30		CCEDRM
N#Cc1cc(S(N)(=O)=O)ccc1NCCCCC(=O)[O-]	ZINC000821329753	598164865	/nfs/dbraw/zinc/16/48/65/598164865.db2.gz	KAEVCMUFFBLAAN-UHFFFAOYSA-N	-1	0	297.336	0.872	20	30		CCEDRM
Cc1onc(CC(=O)N[C@@H](C(=O)[O-])C(C)C)c1C#N	ZINC000821258140	598220738	/nfs/dbraw/zinc/22/07/38/598220738.db2.gz	ZJRSUNCTPOTBSB-LLVKDONJSA-N	-1	0	265.269	0.623	20	30		CCEDRM
C[C@](C#N)(CC(=O)[O-])C(=O)NCCc1ccco1	ZINC000819841550	598222301	/nfs/dbraw/zinc/22/23/01/598222301.db2.gz	APCNSAYFWMHVOK-GFCCVEGCSA-N	-1	0	250.254	0.943	20	30		CCEDRM
Cc1noc(C)c1CNC(=O)[C@@](C)(C#N)CC(=O)[O-]	ZINC000821235871	598225500	/nfs/dbraw/zinc/22/55/00/598225500.db2.gz	PMWBFHNVKHYVTF-GFCCVEGCSA-N	-1	0	265.269	0.912	20	30		CCEDRM
C[C@@](C#N)(CC(=O)[O-])C(=O)N1CCCn2nccc21	ZINC000819811445	598225642	/nfs/dbraw/zinc/22/56/42/598225642.db2.gz	OWIUJKCJQAPLED-LBPRGKRZSA-N	-1	0	262.269	0.624	20	30		CCEDRM
Cc1noc(COC(=O)[C@@](C)(C#N)CC(=O)[O-])n1	ZINC000821236065	598227810	/nfs/dbraw/zinc/22/78/10/598227810.db2.gz	RXSMFGAGJXCGKE-SNVBAGLBSA-N	-1	0	253.214	0.426	20	30		CCEDRM
C[C@](C#N)(CC(=O)[O-])C(=O)Nc1nc2ccc(F)cn2n1	ZINC000819865211	598229169	/nfs/dbraw/zinc/22/91/69/598229169.db2.gz	JCMVQAHVKLBHLP-GFCCVEGCSA-N	-1	0	291.242	0.811	20	30		CCEDRM
C[C@](C#N)(CC(=O)[O-])C(=O)NCCCO[C@@H]1CCOC1	ZINC000819834866	598229961	/nfs/dbraw/zinc/22/99/61/598229961.db2.gz	POXYSYHFYMOPMV-ZWNOBZJWSA-N	-1	0	284.312	0.303	20	30		CCEDRM
C#CCO[N-]C(=O)c1nn(C)c(=O)c2ccccc21	ZINC000812782291	612993667	/nfs/dbraw/zinc/99/36/67/612993667.db2.gz	PWCPCVWGQXGCSC-UHFFFAOYSA-N	-1	0	257.249	0.228	20	30		CCEDRM
N#CCN(CC(=O)[O-])C[C@H](O)c1cccc(F)c1	ZINC000833067016	601226970	/nfs/dbraw/zinc/22/69/70/601226970.db2.gz	NOLIUIUNNXDZQW-NSHDSACASA-N	-1	0	252.245	0.769	20	30		CCEDRM
CCN(CCC(=O)[O-])S(=O)(=O)c1ccc(C#N)nc1	ZINC000228697295	599727992	/nfs/dbraw/zinc/72/79/92/599727992.db2.gz	SHIWPTRNKAHSKT-UHFFFAOYSA-N	-1	0	283.309	0.439	20	30		CCEDRM
N#C[C@@H]1CN(C(=O)c2ccc(C(=O)[O-])cc2)CCO1	ZINC000093937597	599953051	/nfs/dbraw/zinc/95/30/51/599953051.db2.gz	JHAOMNKVUUSLRS-LLVKDONJSA-N	-1	0	260.249	0.749	20	30		CCEDRM
N#Cc1ccc(CN2CCO[C@H](C(=O)[O-])C2)c(F)c1	ZINC000043704479	599971298	/nfs/dbraw/zinc/97/12/98/599971298.db2.gz	FZICYRATLCWRRQ-LBPRGKRZSA-N	-1	0	264.256	0.983	20	30		CCEDRM
COc1ccc(S(=O)(=O)N[C@@H](C)CC#N)cc1C(=O)[O-]	ZINC000050392044	600581833	/nfs/dbraw/zinc/58/18/33/600581833.db2.gz	JKVYPFUIRPLSBB-QMMMGPOBSA-N	-1	0	298.320	0.974	20	30		CCEDRM
N#CCN(CC(=O)[O-])S(=O)(=O)c1cccs1	ZINC000586162643	600764026	/nfs/dbraw/zinc/76/40/26/600764026.db2.gz	ZCXMNMMRKADWKA-UHFFFAOYSA-N	-1	0	260.296	0.347	20	30		CCEDRM
C[C@H]1CC[C@H](CCC(=O)N(CC#N)CC(=O)[O-])O1	ZINC000828221274	600787742	/nfs/dbraw/zinc/78/77/42/600787742.db2.gz	LJLWMMOXEPBRHU-VHSXEESVSA-N	-1	0	254.286	0.771	20	30		CCEDRM
C#CCN1CCN(C(=O)[C@@H]2CCC[C@@H](C(=O)[O-])C2)CC1	ZINC000312264610	600949179	/nfs/dbraw/zinc/94/91/79/600949179.db2.gz	HOYKRJAUCXJRSM-CHWSQXEVSA-N	-1	0	278.352	0.655	20	30		CCEDRM
Cc1cccn2c(=O)cc(CN(CC#N)CC(=O)[O-])nc12	ZINC000832981981	601002121	/nfs/dbraw/zinc/00/21/21/601002121.db2.gz	SEFDLCUWSHFDRJ-UHFFFAOYSA-N	-1	0	286.291	0.413	20	30		CCEDRM
N#CCN(CC(=O)[O-])CC(=O)N1CCO[C@@H]2CCCC[C@@H]21	ZINC000833066085	601006496	/nfs/dbraw/zinc/00/64/96/601006496.db2.gz	NMZLMJGERTYZGY-NWDGAFQWSA-N	-1	0	295.339	0.067	20	30		CCEDRM
Cn1cc(C#N)cc1C(=O)N1CCC[C@H](C(=O)[O-])C1	ZINC000833040498	601263123	/nfs/dbraw/zinc/26/31/23/601263123.db2.gz	KCAQHLLWEOOGAM-JTQLQIEISA-N	-1	0	261.281	0.834	20	30		CCEDRM
C[C@H](CS(=O)(=O)N(CCC#N)CC1CC1)C(=O)[O-]	ZINC000827534366	601275822	/nfs/dbraw/zinc/27/58/22/601275822.db2.gz	VYHPPSHACRJZLX-SECBINFHSA-N	-1	0	274.342	0.663	20	30		CCEDRM
C#CCSCC(=O)N[C@H](c1nc(=O)o[n-]1)C(C)(C)C	ZINC000911590771	613014051	/nfs/dbraw/zinc/01/40/51/613014051.db2.gz	ZMVCFCJTDRDTLB-SECBINFHSA-N	-1	0	283.353	0.933	20	30		CCEDRM
CCN(CCS(=O)(=O)c1ccc(C#N)cc1)CC(=O)[O-]	ZINC000163335599	601376110	/nfs/dbraw/zinc/37/61/10/601376110.db2.gz	OTUPYDRZZRQVNE-UHFFFAOYSA-N	-1	0	296.348	0.738	20	30		CCEDRM
N#Cc1ccc(NC(=O)CN2CCOC[C@H]2C(=O)[O-])cc1	ZINC000088378378	601561499	/nfs/dbraw/zinc/56/14/99/601561499.db2.gz	XPVJIVHNTNLFTL-LBPRGKRZSA-N	-1	0	289.291	0.282	20	30		CCEDRM
N#Cc1cc(F)ccc1S(=O)(=O)N1CC[C@H](C(=O)[O-])C1	ZINC000261676291	601778121	/nfs/dbraw/zinc/77/81/21/601778121.db2.gz	LADWDQHHZQGAML-QMMMGPOBSA-N	-1	0	298.295	0.793	20	30		CCEDRM
C[C@H]1CN(C(=O)Nc2nn(C)cc2C#N)C[C@H]1C(=O)[O-]	ZINC000828384802	601797250	/nfs/dbraw/zinc/79/72/50/601797250.db2.gz	CGOVVBWBHQUYGF-IONNQARKSA-N	-1	0	277.284	0.476	20	30		CCEDRM
C[C@H](CC(=O)[O-])C(=O)N(CCC#N)CCN1CCOCC1	ZINC000827248395	602134516	/nfs/dbraw/zinc/13/45/16/602134516.db2.gz	ZTVHOCUVVUYDTP-GFCCVEGCSA-N	-1	0	297.355	0.172	20	30		CCEDRM
C[C@@H](CC(=O)[O-])C(=O)[C@H](C#N)C(=O)N1CCCC1	ZINC000827241475	602181388	/nfs/dbraw/zinc/18/13/88/602181388.db2.gz	WLOUPFWKWMXYIL-IUCAKERBSA-N	-1	0	252.270	0.428	20	30		CCEDRM
N#CCN(CC(=O)[O-])C(=O)C#Cc1ccc2c(c1)OCO2	ZINC000833066044	602296021	/nfs/dbraw/zinc/29/60/21/602296021.db2.gz	NKOJRBQIBKNHAB-UHFFFAOYSA-N	-1	0	286.243	0.204	20	30		CCEDRM
C[C@@H](CNC(=O)C#Cc1ccc2c(c1)OCO2)C(=O)[O-]	ZINC000827461042	602350496	/nfs/dbraw/zinc/35/04/96/602350496.db2.gz	KQRAMZWXYXABJH-VIFPVBQESA-N	-1	0	275.260	0.604	20	30		CCEDRM
N#C[C@@H]1CN(C(=O)CN(CC2CC2)C(=O)[O-])CCO1	ZINC000831076577	602872462	/nfs/dbraw/zinc/87/24/62/602872462.db2.gz	PFIUMNRNIBVJCG-SNVBAGLBSA-N	-1	0	267.285	0.127	20	30		CCEDRM
N#C[C@@H]1CN(C(=O)C[C@@H]2CCCN2C(=O)[O-])CCO1	ZINC000831076716	602872558	/nfs/dbraw/zinc/87/25/58/602872558.db2.gz	RNAKCTXHJHKSTG-VHSXEESVSA-N	-1	0	267.285	0.270	20	30		CCEDRM
N#Cc1cccc(COC(=O)COC2CN(C(=O)[O-])C2)c1	ZINC000831145841	603445380	/nfs/dbraw/zinc/44/53/80/603445380.db2.gz	BXDDIOJMPBMNED-UHFFFAOYSA-N	-1	0	290.275	0.980	20	30		CCEDRM
C#CCNC(=O)[C@H](C)OC(=O)[C@H]1CCC[C@H](NC(=O)[O-])C1	ZINC000823455558	612951178	/nfs/dbraw/zinc/95/11/78/612951178.db2.gz	DWIDVQDESHFFDO-DCAQKATOSA-N	-1	0	296.323	0.494	20	30		CCEDRM
N#C[C@]1(NC(=O)[C@H]2CC[C@@H](NC(=O)[O-])C2)CCSC1	ZINC000831071184	603476122	/nfs/dbraw/zinc/47/61/22/603476122.db2.gz	ZUBHUMHGXUJYQO-YGOYTEALSA-N	-1	0	283.353	0.938	20	30		CCEDRM
N#C[C@H](OC(=O)[C@]1(F)CCN(C(=O)[O-])C1)C1CC1	ZINC000831070017	603498103	/nfs/dbraw/zinc/49/81/03/603498103.db2.gz	CAUVABDQBWQYBJ-KWQFWETISA-N	-1	0	256.233	0.924	20	30		CCEDRM
N#C[C@H]1CN(C(=O)[O-])CCN1C(=O)COc1ccccc1	ZINC000831082520	603591904	/nfs/dbraw/zinc/59/19/04/603591904.db2.gz	MTENYEBIEWSXMD-NSHDSACASA-N	-1	0	289.291	0.780	20	30		CCEDRM
N#C[C@H](OC(=O)CN(C[C@H]1CCCO1)C(=O)[O-])C1CC1	ZINC000831070286	603615143	/nfs/dbraw/zinc/61/51/43/603615143.db2.gz	IIEMJMFMGLGJMV-MNOVXSKESA-N	-1	0	282.296	0.991	20	30		CCEDRM
Cn1c(Cl)cnc1CN1CCN(C(=O)[O-])C[C@H]1C#N	ZINC000830975510	603727774	/nfs/dbraw/zinc/72/77/74/603727774.db2.gz	YPBQOJQZRRSSAO-MRVPVSSYSA-N	-1	0	283.719	0.761	20	30		CCEDRM
N#CCN1CCC(CNC(=O)[C@@H]2CCN(C(=O)[O-])C2)CC1	ZINC000831102646	603735454	/nfs/dbraw/zinc/73/54/54/603735454.db2.gz	PUPOYWFDUREDPY-GFCCVEGCSA-N	-1	0	294.355	0.338	20	30		CCEDRM
N#Cc1cc(NC(=O)[C@@H]2C[C@@H](O)CN2C(=O)[O-])ccc1F	ZINC000831118121	603746913	/nfs/dbraw/zinc/74/69/13/603746913.db2.gz	NAIHTVXGDYSHRV-KOLCDFICSA-N	-1	0	293.254	0.749	20	30		CCEDRM
C#Cc1cccc(N(C)C(=O)[C@H]2C[C@H](O)CN2C(=O)[O-])c1	ZINC000823466530	603747862	/nfs/dbraw/zinc/74/78/62/603747862.db2.gz	CUPQQCCNENMWSD-QWHCGFSZSA-N	-1	0	288.303	0.744	20	30		CCEDRM
C[C@H](CN(C)C(=O)[O-])C(=O)NCC1CCN(CC#N)CC1	ZINC000824854368	603918893	/nfs/dbraw/zinc/91/88/93/603918893.db2.gz	JLVVEXZZIIDGRP-LLVKDONJSA-N	-1	0	296.371	0.584	20	30		CCEDRM
N#C[C@@H]1CCC[C@@H]1NC(=O)[C@]1(F)CCN(C(=O)[O-])C1	ZINC000831075759	603959058	/nfs/dbraw/zinc/95/90/58/603959058.db2.gz	CWTTVSFQJGAWKM-AUTRQRHGSA-N	-1	0	269.276	0.887	20	30		CCEDRM
C[C@@H](OC(=O)C[C@H](C)NC(=O)[O-])C(=O)N(C)CCC#N	ZINC000824720518	603962454	/nfs/dbraw/zinc/96/24/54/603962454.db2.gz	OIQYMHRGYMIHIN-DTWKUNHWSA-N	-1	0	285.300	0.336	20	30		CCEDRM
C[C@@H](CC(=O)OCC(=O)N[C@@](C)(C#N)C1CC1)NC(=O)[O-]	ZINC000824730103	603964792	/nfs/dbraw/zinc/96/47/92/603964792.db2.gz	VUPCLBQLEFJGFA-SDBXPKJASA-N	-1	0	297.311	0.384	20	30		CCEDRM
N#C[C@H]1CN(C(=O)[O-])CCN1C(=O)CSC(F)(F)F	ZINC000831082053	604067597	/nfs/dbraw/zinc/06/75/97/604067597.db2.gz	GYIBQXCSDIILDE-LURJTMIESA-N	-1	0	297.258	0.954	20	30		CCEDRM
N#C[C@H]1CN(C(=O)[O-])CCN1C(=O)[C@@H]1CCCS1	ZINC000831076168	604080260	/nfs/dbraw/zinc/08/02/60/604080260.db2.gz	HFSXKSCFYPFAPR-IUCAKERBSA-N	-1	0	269.326	0.596	20	30		CCEDRM
Cn1cc(C#N)c(NC(=O)N[C@@H](CNC(=O)[O-])C2CC2)n1	ZINC000830985501	604154886	/nfs/dbraw/zinc/15/48/86/604154886.db2.gz	RFXIBHZXQZNDBW-VIFPVBQESA-N	-1	0	292.299	0.459	20	30		CCEDRM
C[C@]1(C(=O)N2CCN(C(=O)[O-])C[C@H]2C#N)CCCO1	ZINC000825650606	604221433	/nfs/dbraw/zinc/22/14/33/604221433.db2.gz	NJUQCOFVZWROGI-BXKDBHETSA-N	-1	0	267.285	0.270	20	30		CCEDRM
C[C@H](CN(C)C(=O)[O-])C(=O)O[C@@H](C)C(=O)N(C)CCC#N	ZINC000824880831	604246583	/nfs/dbraw/zinc/24/65/83/604246583.db2.gz	NTTGSRWEBIFZJI-ZJUUUORDSA-N	-1	0	299.327	0.536	20	30		CCEDRM
Cc1ccc(NC(=O)Cn2cnc(C#N)n2)cc1C(=O)[O-]	ZINC000832944875	604330163	/nfs/dbraw/zinc/33/01/63/604330163.db2.gz	ODQCEORMAQBPJA-UHFFFAOYSA-N	-1	0	285.263	0.795	20	30		CCEDRM
C#CCN(Cc1c[nH]c(C(=O)[O-])c1)[C@H]1CCS(=O)(=O)C1	ZINC000833364392	604590901	/nfs/dbraw/zinc/59/09/01/604590901.db2.gz	LMTSDCGGFPYGAR-NSHDSACASA-N	-1	0	296.348	0.335	20	30		CCEDRM
C#CC[C@@H](NC(=O)CNC(=O)CC(C)(C)C)C(=O)[O-]	ZINC000910052803	613039665	/nfs/dbraw/zinc/03/96/65/613039665.db2.gz	JDEBWCZEMVOOIT-SECBINFHSA-N	-1	0	268.313	0.132	20	30		CCEDRM
N#CCN1CCC(OC(=O)[C@H]2C[C@@H]2C(=O)[O-])CC1	ZINC000833067793	604733735	/nfs/dbraw/zinc/73/37/35/604733735.db2.gz	ZZJLEZPHXZABCS-UWVGGRQHSA-N	-1	0	252.270	0.238	20	30		CCEDRM
C#CC[C@@H](NC(=O)[C@@H](OC)C1CCCC1)C(=O)[O-]	ZINC000910046338	613040853	/nfs/dbraw/zinc/04/08/53/613040853.db2.gz	MUQDEOMMYOBALT-MNOVXSKESA-N	-1	0	253.298	0.784	20	30		CCEDRM
C#CC[C@@H](NC(=O)[C@@H](c1ccccc1)N(C)C)C(=O)[O-]	ZINC000910051797	613040857	/nfs/dbraw/zinc/04/08/57/613040857.db2.gz	HSDAJBAGRTXUEN-CHWSQXEVSA-N	-1	0	274.320	0.882	20	30		CCEDRM
C#CCNC(=O)CN1CC[C@@H](C(=O)[O-])c2ccccc21	ZINC000167284179	604773088	/nfs/dbraw/zinc/77/30/88/604773088.db2.gz	VNHCMAJXUSOTGJ-GFCCVEGCSA-N	-1	0	272.304	0.814	20	30		CCEDRM
C#CC[C@@H](NC(=O)c1noc2c1CCCC2)C(=O)[O-]	ZINC000910052977	613042372	/nfs/dbraw/zinc/04/23/72/613042372.db2.gz	LPVDZKTYOOSFRS-SECBINFHSA-N	-1	0	262.265	0.760	20	30		CCEDRM
C=C(Br)CN1CCOC[C@@H]1C(=O)[O-]	ZINC000083876188	604952586	/nfs/dbraw/zinc/95/25/86/604952586.db2.gz	OZRHCOLYAGZZRZ-SSDOTTSWSA-N	-1	0	250.092	0.680	20	30		CCEDRM
CN(Cc1ccc(C#N)cc1)CN1C[C@H](C(=O)[O-])CC1=O	ZINC000833696543	605170007	/nfs/dbraw/zinc/17/00/07/605170007.db2.gz	NHOBWSLDBBMSKE-CYBMUJFWSA-N	-1	0	287.319	0.881	20	30		CCEDRM
CC(C)(C#N)CCCn1nnnc1CNC(=O)[O-]	ZINC000823736795	605175109	/nfs/dbraw/zinc/17/51/09/605175109.db2.gz	AGOMSBVNCPBFCK-UHFFFAOYSA-N	-1	0	252.278	0.771	20	30		CCEDRM
C=CCNC(=O)CNC(=O)Nc1ccc(CC(=O)[O-])cc1	ZINC000393834059	605239431	/nfs/dbraw/zinc/23/94/31/605239431.db2.gz	HZXCJHUPVUWPGK-UHFFFAOYSA-N	-1	0	291.307	0.737	20	30		CCEDRM
C[C@@H](C#N)COC(=O)CN(C[C@H]1CCCO1)C(=O)[O-]	ZINC000823648892	605285578	/nfs/dbraw/zinc/28/55/78/605285578.db2.gz	YZQCUWSIOIFQJK-VHSXEESVSA-N	-1	0	270.285	0.848	20	30		CCEDRM
O=C([O-])Nc1ccc(C=NN2CCCNC2=O)cn1	ZINC000834257478	605382437	/nfs/dbraw/zinc/38/24/37/605382437.db2.gz	ZUGAJPXPVUIJQX-UHFFFAOYSA-N	-1	0	263.257	0.921	20	30		CCEDRM
N#CCCCNC(=O)N[C@@H]1CCCN(C(=O)[O-])C1	ZINC000833969691	605390601	/nfs/dbraw/zinc/39/06/01/605390601.db2.gz	WMDRNNIMDYIBIL-SECBINFHSA-N	-1	0	254.290	0.732	20	30		CCEDRM
N#Cc1cccc(COC(=O)[C@@H](CC(N)=O)NC(=O)[O-])c1	ZINC000833978767	605416905	/nfs/dbraw/zinc/41/69/05/605416905.db2.gz	WQVCVCICAWJNHD-SNVBAGLBSA-N	-1	0	291.263	0.113	20	30		CCEDRM
N#CCN(CC#N)C(=O)C[C@@H]1CSCCN1C(=O)[O-]	ZINC000831097210	605429610	/nfs/dbraw/zinc/42/96/10/605429610.db2.gz	FOIUOTTVFSMTKL-SECBINFHSA-N	-1	0	282.325	0.348	20	30		CCEDRM
Cc1cc(NC(=O)[C@H](C)NC(=O)[O-])nn1CCC#N	ZINC000833900632	605454332	/nfs/dbraw/zinc/45/43/32/605454332.db2.gz	ULOGBFKDXJLGJT-QMMMGPOBSA-N	-1	0	265.273	0.700	20	30		CCEDRM
C[C@@H](C#N)NC(=O)C[C@@H]1CSCCN1C(=O)[O-]	ZINC000823647416	605636426	/nfs/dbraw/zinc/63/64/26/605636426.db2.gz	KZMSNSNYFQPYRQ-JGVFFNPUSA-N	-1	0	257.315	0.500	20	30		CCEDRM
N#Cc1ccc(C(=O)NCC2CN(C(=O)[O-])C2)s1	ZINC000833975145	605749356	/nfs/dbraw/zinc/74/93/56/605749356.db2.gz	ZPIOWLPEBIERBT-UHFFFAOYSA-N	-1	0	265.294	0.959	20	30		CCEDRM
N#CC1(C(=O)NCC2CN(C(=O)[O-])C2)CCOCC1	ZINC000833964329	605754823	/nfs/dbraw/zinc/75/48/23/605754823.db2.gz	GIEKNVBYPSZJII-UHFFFAOYSA-N	-1	0	267.285	0.033	20	30		CCEDRM
N#C[C@H]1CN(C(=O)[C@H]2CC23CCN(C(=O)[O-])CC3)CCO1	ZINC000833968513	605919874	/nfs/dbraw/zinc/91/98/74/605919874.db2.gz	VYBSTNRNQHOWGT-WDEREUQCSA-N	-1	0	293.323	0.517	20	30		CCEDRM
N#CCC1CCN(C(=O)[C@@H]2COCCN2C(=O)[O-])CC1	ZINC000833968057	605932588	/nfs/dbraw/zinc/93/25/88/605932588.db2.gz	JOIRGNABIUBZIB-NSHDSACASA-N	-1	0	281.312	0.517	20	30		CCEDRM
N#C[C@H](C(=O)CN(C(=O)[O-])C1CC1)C(=O)NC1CC1	ZINC000833960403	605981984	/nfs/dbraw/zinc/98/19/84/605981984.db2.gz	IQVHKSCRNIFRDI-SECBINFHSA-N	-1	0	265.269	0.116	20	30		CCEDRM
N#CC1CCN(CN2C[C@@H](NC(=O)[O-])CC2=O)CC1	ZINC000833967055	605994465	/nfs/dbraw/zinc/99/44/65/605994465.db2.gz	PHOLMPCQCJPWAK-JTQLQIEISA-N	-1	0	266.301	0.048	20	30		CCEDRM
N#CC1(COC(=O)C[C@@H]2CN(C(=O)[O-])CCO2)CC1	ZINC000833964926	606001724	/nfs/dbraw/zinc/00/17/24/606001724.db2.gz	URKWYCQXZBEQQD-SECBINFHSA-N	-1	0	268.269	0.602	20	30		CCEDRM
N#CCN(C(=O)CCOC1CN(C(=O)[O-])C1)C1CC1	ZINC000833965298	606082420	/nfs/dbraw/zinc/08/24/20/606082420.db2.gz	ICJRATADRXBFGU-UHFFFAOYSA-N	-1	0	267.285	0.270	20	30		CCEDRM
N#CCNC(=O)COC(=O)Cc1ccccc1NC(=O)[O-]	ZINC000833966715	606088212	/nfs/dbraw/zinc/08/82/12/606088212.db2.gz	KFMUCQIBBOQSFW-UHFFFAOYSA-N	-1	0	291.263	0.502	20	30		CCEDRM
C#CCCS(=O)(=O)[N-]C(=O)[C@@H](C)[C@H](C)COC	ZINC000813095725	613052896	/nfs/dbraw/zinc/05/28/96/613052896.db2.gz	ZXZMYGQBHMPSKS-ZJUUUORDSA-N	-1	0	261.343	0.374	20	30		CCEDRM
C#CCCS(=O)(=O)[N-]C(=O)COc1ccccc1C#N	ZINC000810782878	613052916	/nfs/dbraw/zinc/05/29/16/613052916.db2.gz	VOCUMUGLPAXORK-UHFFFAOYSA-N	-1	0	292.316	0.406	20	30		CCEDRM
C#CCCS(=O)(=O)[N-]C(=O)c1ccnc(C#N)c1	ZINC000810782550	613053806	/nfs/dbraw/zinc/05/38/06/613053806.db2.gz	PKUVQCGKHZBXDZ-UHFFFAOYSA-N	-1	0	263.278	0.036	20	30		CCEDRM
C#CCCS(=O)(=O)[N-]C(=O)[C@@H]1CC[C@H](OC)C1	ZINC000850999769	613053232	/nfs/dbraw/zinc/05/32/32/613053232.db2.gz	IWUBIJBJBQYJKV-ZJUUUORDSA-N	-1	0	259.327	0.271	20	30		CCEDRM
N#Cc1nc(NC(=O)CCC2CCC2)[n-]c1-c1nn[nH]n1	ZINC000822815562	606591464	/nfs/dbraw/zinc/59/14/64/606591464.db2.gz	SWGYSSXUDPVVSW-UHFFFAOYSA-N	-1	0	286.299	0.980	20	30		CCEDRM
N#Cc1cc(Cn2cnc(-c3nnn[n-]3)n2)ccc1F	ZINC000822818813	607007186	/nfs/dbraw/zinc/00/71/86/607007186.db2.gz	GGFNFFKCXSVAKV-UHFFFAOYSA-N	-1	0	270.231	0.517	20	30		CCEDRM
C#CC[C@H](NC(=O)C[C@@H](C)[C@@H]1CCCO1)C(=O)[O-]	ZINC000910046417	613068019	/nfs/dbraw/zinc/06/80/19/613068019.db2.gz	ONYMIGDUEOUDCK-VWYCJHECSA-N	-1	0	253.298	0.784	20	30		CCEDRM
C=C(Cl)C[C@@H](NS(=O)(=O)N(C)C1CC1)C(=O)[O-]	ZINC000863419794	613388679	/nfs/dbraw/zinc/38/86/79/613388679.db2.gz	DCBMQWWGFQPMJI-MRVPVSSYSA-N	-1	0	282.749	0.511	20	30		CCEDRM
CC(C)NC(=O)COC(=O)[C@@](C)(C#N)CC(=O)[O-]	ZINC000820029382	613920633	/nfs/dbraw/zinc/92/06/33/613920633.db2.gz	ADTUUTCEEFOPBL-LLVKDONJSA-N	-1	0	256.258	0.059	20	30		CCEDRM
CC(C)(NC(=O)[C@H](O)c1ccc(C#N)cc1)C(=O)[O-]	ZINC000833460189	614168609	/nfs/dbraw/zinc/16/86/09/614168609.db2.gz	UVGVJJOLGXCDBR-SNVBAGLBSA-N	-1	0	262.265	0.571	20	30		CCEDRM
CC(C)[C@H](CO)O[N-]C(=O)C1(C#N)CCOCC1	ZINC000857285937	614211843	/nfs/dbraw/zinc/21/18/43/614211843.db2.gz	OHGVGPFQVZMVCC-JTQLQIEISA-N	-1	0	256.302	0.371	20	30		CCEDRM
C#CCCCCNC(=O)N[C@H](COCC=C)C(=O)[O-]	ZINC000797725450	612978110	/nfs/dbraw/zinc/97/81/10/612978110.db2.gz	XBJDLSRKJNDSAN-LLVKDONJSA-N	-1	0	268.313	0.745	20	30		CCEDRM
C#CCOCCC(=O)N[C@](C)(COC)CC(=O)[O-]	ZINC000833363881	612980868	/nfs/dbraw/zinc/98/08/68/612980868.db2.gz	DXQJVHSYNQONDF-LBPRGKRZSA-N	-1	0	257.286	0.022	20	30		CCEDRM
COc1ccc(C(=O)[N-]S(=O)(=O)CCC#N)c(OC)c1	ZINC000821583664	617231192	/nfs/dbraw/zinc/23/11/92/617231192.db2.gz	CWDHNCRJBAMUNI-UHFFFAOYSA-N	-1	0	298.320	0.677	20	30		CCEDRM
CSC[C@@H](CCO)NC(=O)[C@@](C)(C#N)CC(=O)[O-]	ZINC000820906258	617248708	/nfs/dbraw/zinc/24/87/08/617248708.db2.gz	UQCYFGQQAXNULR-LDYMZIIASA-N	-1	0	274.342	0.221	20	30		CCEDRM
C#CC1CCN(C(=O)Cn2cc(C(=O)[O-])cn2)CC1	ZINC000911406610	612962926	/nfs/dbraw/zinc/96/29/26/612962926.db2.gz	UGGXMXNIKSLMKI-UHFFFAOYSA-N	-1	0	261.281	0.453	20	30		CCEDRM
C#CCCCC(=O)N1C[C@H]2COCC[C@@]2(C(=O)[O-])C1	ZINC000909568122	612975025	/nfs/dbraw/zinc/97/50/25/612975025.db2.gz	SORYFXMWPMYXBY-SMDDNHRTSA-N	-1	0	265.309	0.740	20	30		CCEDRM
C#CCOCCC(=O)NCc1ccc(C(=O)[O-])o1	ZINC000833363897	612979767	/nfs/dbraw/zinc/97/97/67/612979767.db2.gz	FQNVKAJEQRWVJU-UHFFFAOYSA-N	-1	0	251.238	0.634	20	30		CCEDRM
C#CCOCCC(=O)N[C@@H]1CCCN(C(=O)[O-])C1	ZINC000833364505	612980448	/nfs/dbraw/zinc/98/04/48/612980448.db2.gz	STKVHJUAMWVTBZ-SNVBAGLBSA-N	-1	0	254.286	0.285	20	30		CCEDRM
C#CCOCCC(=O)N[C@@]1(C(=O)[O-])CCSC1	ZINC000833364870	612980594	/nfs/dbraw/zinc/98/05/94/612980594.db2.gz	YLZBDGHMEWZZDX-NSHDSACASA-N	-1	0	257.311	0.103	20	30		CCEDRM
C#CCCCNC(=O)C(=O)Nc1cccc(CC(=O)[O-])c1	ZINC000817668705	612981011	/nfs/dbraw/zinc/98/10/11/612981011.db2.gz	VKWXBZGOVKEDCZ-UHFFFAOYSA-N	-1	0	288.303	0.782	20	30		CCEDRM
C#CCCCNC(=O)[C@H]1CC[C@@H](CCC(=O)[O-])O1	ZINC000911401308	612982534	/nfs/dbraw/zinc/98/25/34/612982534.db2.gz	FMIUOHTUBNAVLW-WDEREUQCSA-N	-1	0	253.298	0.928	20	30		CCEDRM
C#CCOCCNC(=O)[C@H]1C[C@@]1(C(=O)[O-])C(C)C	ZINC000899782478	612988603	/nfs/dbraw/zinc/98/86/03/612988603.db2.gz	VGLUSGAWDOVPTL-ZWNOBZJWSA-N	-1	0	253.298	0.499	20	30		CCEDRM
C#CCO[N-]C(=O)[C@@H](O)Cc1ccccc1Cl	ZINC000812783316	612992493	/nfs/dbraw/zinc/99/24/93/612992493.db2.gz	JKSDUWLORXRKKH-NSHDSACASA-N	-1	0	253.685	0.924	20	30		CCEDRM
C#CCO[N-]C(=O)[C@H]1CC[C@H](C(F)(F)F)NC1=O	ZINC000812782473	612992896	/nfs/dbraw/zinc/99/28/96/612992896.db2.gz	ULXHRMDMCUGSCT-NKWVEPMBSA-N	-1	0	264.203	0.125	20	30		CCEDRM
C#CCO[C@@H](C)C(=O)N(CCC(=O)[O-])C1CCOCC1	ZINC000909031162	612994048	/nfs/dbraw/zinc/99/40/48/612994048.db2.gz	TYZCGXGKDVMRQS-NSHDSACASA-N	-1	0	283.324	0.507	20	30		CCEDRM
C#CCO[C@@H](C)C(=O)N1CC[C@H](C(=O)[O-])[C@H](C)C1	ZINC000909988766	612995352	/nfs/dbraw/zinc/99/53/52/612995352.db2.gz	ZKCZTTFYOAYZEP-VWYCJHECSA-N	-1	0	253.298	0.594	20	30		CCEDRM
C#CCO[C@@H](C)C(=O)N[C@@H](Cc1ccccc1)C(=O)[O-]	ZINC000908583638	612997043	/nfs/dbraw/zinc/99/70/43/612997043.db2.gz	SQRXYKBIULTKEO-AAEUAGOBSA-N	-1	0	275.304	0.837	20	30		CCEDRM
C#CCC[NH+]1CCC(NC(=O)c2cc(C(=O)[O-])no2)CC1	ZINC000833362189	612999036	/nfs/dbraw/zinc/99/90/36/612999036.db2.gz	DTALSJMNTHVGMB-UHFFFAOYSA-N	-1	0	291.307	0.590	20	30		CCEDRM
C#CCO[C@H](C)C(=O)N1CC[C@H](OC)C[C@@H]1C(=O)[O-]	ZINC000909984418	613000407	/nfs/dbraw/zinc/00/04/07/613000407.db2.gz	NLVUSVUQUGSDBR-OUAUKWLOSA-N	-1	0	269.297	0.115	20	30		CCEDRM
C#CCO[C@H](C)C(=O)N[C@H](C(=O)[O-])[C@@H]1CCC[C@H](OC)C1	ZINC000909914066	613003057	/nfs/dbraw/zinc/00/30/57/613003057.db2.gz	MXLUBNMZFJSGIB-NDBYEHHHSA-N	-1	0	297.351	0.799	20	30		CCEDRM
C#CCOc1cccc(NC(=O)N[C@@H](COC)C(=O)[O-])c1	ZINC000797744892	613007429	/nfs/dbraw/zinc/00/74/29/613007429.db2.gz	YEJHOZIAPZNLSY-LBPRGKRZSA-N	-1	0	292.291	0.920	20	30		CCEDRM
C#CCOc1ccccc1C=Nn1c(=O)[n-][nH]c1=O	ZINC000814231976	613007711	/nfs/dbraw/zinc/00/77/11/613007711.db2.gz	KANWMBGGYVTDFN-UHFFFAOYSA-N	-1	0	258.237	0.584	20	30		CCEDRM
C#CCCN1CCN(C(=O)c2cc(C(=O)[O-])no2)CC1	ZINC000833362592	613010628	/nfs/dbraw/zinc/01/06/28/613010628.db2.gz	ZSHPBWHVGHRIDW-UHFFFAOYSA-N	-1	0	277.280	0.154	20	30		CCEDRM
C#CC[C@@H](NC(=O)CCNC(=O)C1CCCCC1)C(=O)[O-]	ZINC000910053779	613039829	/nfs/dbraw/zinc/03/98/29/613039829.db2.gz	JIYNREGGDURARC-GFCCVEGCSA-N	-1	0	294.351	0.666	20	30		CCEDRM
C#CC[C@@H](NC(=O)Cc1c(C)cc(C)[nH]c1=O)C(=O)[O-]	ZINC000910048007	613040101	/nfs/dbraw/zinc/04/01/01/613040101.db2.gz	BQTOVPOUDOOLAZ-LLVKDONJSA-N	-1	0	276.292	0.539	20	30		CCEDRM
C#CC[C@@H](NC(=O)Cc1ccc(CC)cn1)C(=O)[O-]	ZINC000910051683	613040310	/nfs/dbraw/zinc/04/03/10/613040310.db2.gz	YLKHJXKCWSKHFX-GFCCVEGCSA-N	-1	0	260.293	0.779	20	30		CCEDRM
C#CC[C@H](CCOC)NC(=O)c1c[n-]n2c1nccc2=O	ZINC000863781966	613052624	/nfs/dbraw/zinc/05/26/24/613052624.db2.gz	SGTNLHMTTBKGOS-SNVBAGLBSA-N	-1	0	288.307	0.181	20	30		CCEDRM
C#CCCS(=O)(=O)[N-]C(=O)Cc1ccc2c(c1)CCO2	ZINC000810783923	613053021	/nfs/dbraw/zinc/05/30/21/613053021.db2.gz	KLWWGMVMRLLYOL-UHFFFAOYSA-N	-1	0	293.344	0.633	20	30		CCEDRM
C#CCCS(=O)(=O)[N-]C(=O)[C@H]1CCOC[C@@H]1C	ZINC000810780084	613053384	/nfs/dbraw/zinc/05/33/84/613053384.db2.gz	MPDIYFLWXJQBMD-UWVGGRQHSA-N	-1	0	259.327	0.128	20	30		CCEDRM
C#CCCS(=O)(=O)[N-]C(=O)c1ccc2c(c1)CCO2	ZINC000810783682	613053532	/nfs/dbraw/zinc/05/35/32/613053532.db2.gz	ZMTVSYIXVGMFCR-UHFFFAOYSA-N	-1	0	279.317	0.704	20	30		CCEDRM
C#CCCS(=O)(=O)[N-]C(=O)c1cc(OC)cnc1F	ZINC000847699640	613053579	/nfs/dbraw/zinc/05/35/79/613053579.db2.gz	UWSVARRQZKUODQ-UHFFFAOYSA-N	-1	0	286.284	0.312	20	30		CCEDRM
C#CC[C@H](CO)NC(=O)Cc1ccc(C(=O)[O-])cc1	ZINC000911396094	613053846	/nfs/dbraw/zinc/05/38/46/613053846.db2.gz	XGFOQEGRAOJYHQ-GFCCVEGCSA-N	-1	0	261.277	0.428	20	30		CCEDRM
C#CCCS(=O)(=O)[N-]C(=O)c1nc(Cl)cs1	ZINC000810784475	613053936	/nfs/dbraw/zinc/05/39/36/613053936.db2.gz	HEVYNJKUXAFCQP-UHFFFAOYSA-N	-1	0	278.742	0.879	20	30		CCEDRM
C#CC[C@H](COC)NC(=O)NCc1ncccc1O	ZINC000859035649	613063925	/nfs/dbraw/zinc/06/39/25/613063925.db2.gz	GPPXASRIHMEFLX-SNVBAGLBSA-N	-1	0	263.297	0.625	20	30		CCEDRM
C#CC[C@H](NC(=O)C(C)(C)n1cnc(C)c1)C(=O)[O-]	ZINC000910050368	613067444	/nfs/dbraw/zinc/06/74/44/613067444.db2.gz	ITWSLTUQBULEJT-JTQLQIEISA-N	-1	0	263.297	0.519	20	30		CCEDRM
C#CC[C@H](NC(=O)COc1ccsc1)C(=O)[O-]	ZINC000910051734	613067785	/nfs/dbraw/zinc/06/77/85/613067785.db2.gz	ZPBAISHJSHPJQJ-VIFPVBQESA-N	-1	0	253.279	0.720	20	30		CCEDRM
C#CC[C@H](NC(=O)CN1CCc2ccccc21)C(=O)[O-]	ZINC000910053384	613067826	/nfs/dbraw/zinc/06/78/26/613067826.db2.gz	GMBONTKIURRLDD-LBPRGKRZSA-N	-1	0	272.304	0.642	20	30		CCEDRM
C#CC[C@H](NC(=O)C[C@@H](OCC)C(=C)C)C(=O)[O-]	ZINC000910048824	613068061	/nfs/dbraw/zinc/06/80/61/613068061.db2.gz	PGQYYKUTKLEEEY-WDEREUQCSA-N	-1	0	253.298	0.950	20	30		CCEDRM
C#CC[C@H](NC(=O)[C@@H]1C[C@@]1(C)Br)C(=O)[O-]	ZINC000910050208	613069049	/nfs/dbraw/zinc/06/90/49/613069049.db2.gz	HAFIBMZEGWOAGW-MHYGZLNHSA-N	-1	0	274.114	0.753	20	30		CCEDRM
C#CC[C@H](NC(=O)[C@H]1COCCN1C1CCCC1)C(=O)[O-]	ZINC000910049521	613069770	/nfs/dbraw/zinc/06/97/70/613069770.db2.gz	WKARYIMDRJAJJS-QWHCGFSZSA-N	-1	0	294.351	0.223	20	30		CCEDRM
C#CC[C@H](NC(=O)c1c2c(nn1C)CCC2)C(=O)[O-]	ZINC000910048398	613070043	/nfs/dbraw/zinc/07/00/43/613070043.db2.gz	KRZNKCHIMLNWJW-JTQLQIEISA-N	-1	0	261.281	0.115	20	30		CCEDRM
C#CC[C@H](NC(=O)c1nc(C)sc1C)C(=O)[O-]	ZINC000910051409	613070826	/nfs/dbraw/zinc/07/08/26/613070826.db2.gz	UPZDKFYIBIUYNO-QMMMGPOBSA-N	-1	0	252.295	0.966	20	30		CCEDRM
C#CCN(C)C(=O)C(=O)N1CCC[C@@](CC)(C(=O)[O-])C1	ZINC000926411318	613070907	/nfs/dbraw/zinc/07/09/07/613070907.db2.gz	YZQMOPAPBXRUSB-CQSZACIVSA-N	-1	0	280.324	0.181	20	30		CCEDRM
C#C[C@@H](NC(=O)[C@@H]1C[C@H]1C(=O)[O-])C1CCOCC1	ZINC000907847004	613097994	/nfs/dbraw/zinc/09/79/94/613097994.db2.gz	LMCOCUVKQLRQRB-GMTAPVOTSA-N	-1	0	251.282	0.252	20	30		CCEDRM
C#CCN(C1CSC1)S(=O)(=O)c1ncc[n-]1	ZINC000867721535	613098433	/nfs/dbraw/zinc/09/84/33/613098433.db2.gz	CTLPUBKUOYURPR-UHFFFAOYSA-N	-1	0	257.340	0.149	20	30		CCEDRM
C#CCN(CC#CC)C(=O)C[C@H]1CN(C(=O)[O-])CCO1	ZINC000823451738	613099841	/nfs/dbraw/zinc/09/98/41/613099841.db2.gz	ZVCSUGGCKTUHEK-LBPRGKRZSA-N	-1	0	278.308	0.240	20	30		CCEDRM
C#CCN(CC#CC)C(=O)[C@H]1CC[C@H](NC(=O)[O-])C1	ZINC000823451395	613100188	/nfs/dbraw/zinc/10/01/88/613100188.db2.gz	TWLFDFLAABSBQZ-RYUDHWBXSA-N	-1	0	262.309	0.908	20	30		CCEDRM
C#C[C@@H](NS(=O)(=O)c1ccccc1[O-])[C@H]1CCCO1	ZINC000849388659	613100444	/nfs/dbraw/zinc/10/04/44/613100444.db2.gz	WDKJQAFNEIIJRG-ZYHUDNBSSA-N	-1	0	281.333	0.851	20	30		CCEDRM
C#C[C@@H](NS(=O)(=O)c1ccccc1[O-])[C@@H]1CCCO1	ZINC000849388658	613100450	/nfs/dbraw/zinc/10/04/50/613100450.db2.gz	WDKJQAFNEIIJRG-PWSUYJOCSA-N	-1	0	281.333	0.851	20	30		CCEDRM
C#C[C@@H]1CCCCN1S(=O)(=O)c1cc(C(=O)[O-])n(C)c1	ZINC000907126926	613102957	/nfs/dbraw/zinc/10/29/57/613102957.db2.gz	HRQXTYYVAKJFGW-SNVBAGLBSA-N	-1	0	296.348	0.900	20	30		CCEDRM
C#CCN(CC(=O)[O-])S(=O)(=O)c1sc(C)nc1C	ZINC000849219158	613103867	/nfs/dbraw/zinc/10/38/67/613103867.db2.gz	KNTOTAWCKBLQSE-UHFFFAOYSA-N	-1	0	288.350	0.468	20	30		CCEDRM
C#C[C@H](NC(=O)CCCCC(=O)[O-])[C@@H]1CCCO1	ZINC000911578831	613132632	/nfs/dbraw/zinc/13/26/32/613132632.db2.gz	KZRDQODPGAVHCV-QWRGUYRKSA-N	-1	0	253.298	0.928	20	30		CCEDRM
C#C[C@H](NC(=O)c1cc(C(=O)[O-])ccn1)[C@@H]1CCCO1	ZINC000911577470	613148346	/nfs/dbraw/zinc/14/83/46/613148346.db2.gz	CJUJZLASIUVGFH-JQWIXIFHSA-N	-1	0	274.276	0.690	20	30		CCEDRM
C#C[C@H](NC(=O)c1n[nH]c(=O)[n-]c1=O)C(C)(C)C	ZINC000813776932	613149910	/nfs/dbraw/zinc/14/99/10/613149910.db2.gz	FOPHWKJQOGBZEV-LURJTMIESA-N	-1	0	250.258	0.061	20	30		CCEDRM
C#C[C@H]1CCCCN1S(=O)(=O)c1cc(C(=O)[O-])n(C)c1	ZINC000907126925	613155946	/nfs/dbraw/zinc/15/59/46/613155946.db2.gz	HRQXTYYVAKJFGW-JTQLQIEISA-N	-1	0	296.348	0.900	20	30		CCEDRM
C#Cc1ccc(C(=O)N2CCC(O)(c3nnn[n-]3)CC2)cc1	ZINC000907940746	613168070	/nfs/dbraw/zinc/16/80/70/613168070.db2.gz	MKRVSINJLHLCTG-UHFFFAOYSA-N	-1	0	297.318	0.305	20	30		CCEDRM
C#Cc1ccc(C(=O)N2CCOC[C@H]2C(=O)[O-])cc1	ZINC000909057060	613170439	/nfs/dbraw/zinc/17/04/39/613170439.db2.gz	QAKZGBYUPBRTKM-LBPRGKRZSA-N	-1	0	259.261	0.594	20	30		CCEDRM
C#Cc1ccc(CNC(=O)N2CC(C(=O)[O-])C2)cc1	ZINC000857100659	613193609	/nfs/dbraw/zinc/19/36/09/613193609.db2.gz	ISTCUDHEKSFSTC-UHFFFAOYSA-N	-1	0	258.277	0.894	20	30		CCEDRM
C#Cc1cccc(NC(=O)C(=O)NCC(C)(C)C(=O)[O-])c1	ZINC000825636923	613202660	/nfs/dbraw/zinc/20/26/60/613202660.db2.gz	XCAARNMZGZPARM-UHFFFAOYSA-N	-1	0	288.303	0.833	20	30		CCEDRM
C#Cc1ccccc1CC(=O)[N-]S(=O)(=O)CCOC	ZINC000810579327	613206826	/nfs/dbraw/zinc/20/68/26/613206826.db2.gz	KROUOCZAWFLBCA-UHFFFAOYSA-N	-1	0	281.333	0.303	20	30		CCEDRM
C#Cc1cncc(C(=O)N(CCOC)CC(=O)[O-])c1	ZINC000908848880	613212083	/nfs/dbraw/zinc/21/20/83/613212083.db2.gz	INGXXHCYVDNUOC-UHFFFAOYSA-N	-1	0	262.265	0.236	20	30		CCEDRM
C#Cc1cncc(C(=O)N2CC[C@](C)(C(=O)[O-])C2)c1	ZINC000909299533	613215035	/nfs/dbraw/zinc/21/50/35/613215035.db2.gz	DEFKWRWGCYJPFG-AWEZNQCLSA-N	-1	0	258.277	1.000	20	30		CCEDRM
C#Cc1cncc(C(=O)NC[C@]2(C(=O)[O-])CCCOC2)c1	ZINC000910307619	613218127	/nfs/dbraw/zinc/21/81/27/613218127.db2.gz	BSCLONXOVZINQQ-OAHLLOKOSA-N	-1	0	288.303	0.674	20	30		CCEDRM
C#CCN1C[C@@H](NC(=O)c2[nH]nc(C)c2[O-])C(C)(C)C1	ZINC000973047770	613284913	/nfs/dbraw/zinc/28/49/13/613284913.db2.gz	MNMXWGVTHXUILN-SNVBAGLBSA-N	-1	0	276.340	0.497	20	30		CCEDRM
C=C(C)COCCNC(=O)N1CCN(C(=O)[O-])[C@H](C)C1	ZINC000823480864	613351961	/nfs/dbraw/zinc/35/19/61/613351961.db2.gz	QIWKMDXXPCTDAP-LLVKDONJSA-N	-1	0	285.344	0.973	20	30		CCEDRM
C=C(C)COCCNC(=O)NCCN(C)C(=O)[O-]	ZINC000823480681	613352059	/nfs/dbraw/zinc/35/20/59/613352059.db2.gz	KSDDGPJERSISNI-UHFFFAOYSA-N	-1	0	259.306	0.488	20	30		CCEDRM
C=C(C)CO[N-]C(=O)C(=O)Nc1cc(CCC)nn1C	ZINC000846146187	613352334	/nfs/dbraw/zinc/35/23/34/613352334.db2.gz	KXHDXOWKWIAISP-UHFFFAOYSA-N	-1	0	280.328	0.935	20	30		CCEDRM
C=C(C)CO[N-]C(=O)[C@@](C)(O)Cn1ccc(C)cc1=O	ZINC000846535106	613353844	/nfs/dbraw/zinc/35/38/44/613353844.db2.gz	PVRDVUGLMVPMKZ-AWEZNQCLSA-N	-1	0	280.324	0.532	20	30		CCEDRM
C=C(C)CONC(=O)c1ccc([N-]S(C)(=O)=O)nc1	ZINC000862132829	613353892	/nfs/dbraw/zinc/35/38/92/613353892.db2.gz	NLGFJFXDBUQUAJ-UHFFFAOYSA-N	-1	0	285.325	0.691	20	30		CCEDRM
C=C(C)CS(=O)(=O)N1CC[C@@H]2[C@H](C1)[C@H]2C(=O)[O-]	ZINC000871775032	613354061	/nfs/dbraw/zinc/35/40/61/613354061.db2.gz	DXPLYJJTMLUDHT-UTLUCORTSA-N	-1	0	259.327	0.545	20	30		CCEDRM
C=C(C)C[C@@H](NC(=O)/C=C/c1cnn(C)c1)C(=O)[O-]	ZINC000864187058	613355763	/nfs/dbraw/zinc/35/57/63/613355763.db2.gz	CUBVRGIJBYVIND-SGUJLRQBSA-N	-1	0	263.297	0.969	20	30		CCEDRM
C=C(C)C[C@@H](NC(=O)Nc1ccnn1C)C(=O)[O-]	ZINC000900327042	613355811	/nfs/dbraw/zinc/35/58/11/613355811.db2.gz	XZFZKQDHUVQNJW-MRVPVSSYSA-N	-1	0	252.274	0.961	20	30		CCEDRM
C=C(C)C[C@@H](NC(=O)NCCO[C@@H]1CCOC1)C(=O)[O-]	ZINC000929017020	613355917	/nfs/dbraw/zinc/35/59/17/613355917.db2.gz	MGHZIKJHMXBROC-GHMZBOCLSA-N	-1	0	286.328	0.511	20	30		CCEDRM
C=C(C)C[C@@H](NC(=O)c1cn(C)nc1OC)C(=O)[O-]	ZINC000910292104	613356168	/nfs/dbraw/zinc/35/61/68/613356168.db2.gz	CODVSGPMLLZXIE-SECBINFHSA-N	-1	0	267.285	0.578	20	30		CCEDRM
C=C(C)C[C@@H](NC(C)=O)C(=O)[N-]S(=O)(=O)CC(C)C	ZINC000850804127	613356414	/nfs/dbraw/zinc/35/64/14/613356414.db2.gz	FVXJZULZLLICKY-LLVKDONJSA-N	-1	0	290.385	0.559	20	30		CCEDRM
C=C(C)C[C@@H](NC(C)=O)C(=O)[N-]S(=O)(=O)[C@@H](C)CC	ZINC000850941977	613356417	/nfs/dbraw/zinc/35/64/17/613356417.db2.gz	AUDYFRVTRVJSFY-GXSJLCMTSA-N	-1	0	290.385	0.702	20	30		CCEDRM
C=C(C)C[C@@H](NS(=O)(=O)[C@H](C)COC)C(=O)OCC	ZINC000882645336	613356958	/nfs/dbraw/zinc/35/69/58/613356958.db2.gz	ZONBPDKOBRYXAO-GHMZBOCLSA-N	-1	0	293.385	0.839	20	30		CCEDRM
C=C(C)C[C@H](NC(=O)[C@@H](O)CCSC)C(=O)[O-]	ZINC000910288571	613358825	/nfs/dbraw/zinc/35/88/25/613358825.db2.gz	XLEGMWKDXCGFMP-IUCAKERBSA-N	-1	0	261.343	0.636	20	30		CCEDRM
C=C(C)C[C@H](NC(C)=O)C(=O)[N-]O[C@H](CO)C(C)C	ZINC000854827460	613359477	/nfs/dbraw/zinc/35/94/77/613359477.db2.gz	MARSWBODNDVQQH-NWDGAFQWSA-N	-1	0	272.345	0.522	20	30		CCEDRM
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CC[C@](O)(C(=O)[O-])C1	ZINC000910520140	613361196	/nfs/dbraw/zinc/36/11/96/613361196.db2.gz	HTONKSAZMFTGLH-OUJBWJOFSA-N	-1	0	269.297	0.016	20	30		CCEDRM
C=C(C)[C@@H]1OCC[C@@H]1C(=O)NC[C@]1(C(=O)[O-])CCCOC1	ZINC000910306882	613361519	/nfs/dbraw/zinc/36/15/19/613361519.db2.gz	KVVSQSDDIIASGR-SLEUVZQESA-N	-1	0	297.351	0.965	20	30		CCEDRM
C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)N[C@H](COC)C(=O)[O-]	ZINC000908704182	613361911	/nfs/dbraw/zinc/36/19/11/613361911.db2.gz	OTNNBIDWRGEVKM-MXWKQRLJSA-N	-1	0	286.328	0.366	20	30		CCEDRM
C=C(Cl)C[C@@H](N)C(=O)[N-]S(=O)(=O)CC(F)(F)F	ZINC000901028485	613388122	/nfs/dbraw/zinc/38/81/22/613388122.db2.gz	JQPOHBAWULODDH-RXMQYKEDSA-N	-1	0	294.682	0.465	20	30		CCEDRM
C=C(Cl)C[C@@H](NC(=O)[C@H]1OCCO[C@H]1C)C(=O)[O-]	ZINC000910267244	613388705	/nfs/dbraw/zinc/38/87/05/613388705.db2.gz	SKXGRFFGIOQZLW-YIZRAAEISA-N	-1	0	277.704	0.502	20	30		CCEDRM
C=C(Cl)C[C@@H](NC(=O)[C@H](O)CCSC)C(=O)[O-]	ZINC000910265335	613388714	/nfs/dbraw/zinc/38/87/14/613388714.db2.gz	DEUKEZCOJCDEJC-HTQZYQBOSA-N	-1	0	281.761	0.812	20	30		CCEDRM
C=C(Cl)C[C@H](NC(=O)NCc1cn(C)cn1)C(=O)[O-]	ZINC000900308442	613390706	/nfs/dbraw/zinc/39/07/06/613390706.db2.gz	IGZBQISHZWWRCY-VIFPVBQESA-N	-1	0	286.719	0.815	20	30		CCEDRM
C=CCS(=O)(=O)[N-]C(=O)c1nn(C)c2c1CCCC2	ZINC000835252521	613394631	/nfs/dbraw/zinc/39/46/31/613394631.db2.gz	AAXRYNURCFXHOI-UHFFFAOYSA-N	-1	0	283.353	0.545	20	30		CCEDRM
C=CC[C@@H](CO)CNC(=O)[C@H](NC(=O)[O-])C(C)C	ZINC000833371798	613402181	/nfs/dbraw/zinc/40/21/81/613402181.db2.gz	WOZHEHNXPHEGSR-NXEZZACHSA-N	-1	0	258.318	0.579	20	30		CCEDRM
CC(=O)N1CCN(C(=O)[C@@](C)(C#N)CC(=O)[O-])[C@H](C)C1	ZINC000819730996	613411114	/nfs/dbraw/zinc/41/11/14/613411114.db2.gz	CGQATWNUVHGIPL-NOZJJQNGSA-N	-1	0	281.312	0.070	20	30		CCEDRM
C=C1CCC(CNC(=O)C(=O)N[C@H]2C[C@H](C(=O)[O-])C2)CC1	ZINC000927947119	613413357	/nfs/dbraw/zinc/41/33/57/613413357.db2.gz	IQKTWUWKPNBWFW-HAQNSBGRSA-N	-1	0	294.351	0.828	20	30		CCEDRM
C=C1CCN(C(=O)[C@H]2C[C@H](O)CN2C(=O)[O-])CC1	ZINC000823486337	613414925	/nfs/dbraw/zinc/41/49/25/613414925.db2.gz	VMARSIGHCSGCEP-VHSXEESVSA-N	-1	0	254.286	0.278	20	30		CCEDRM
C=CC[C@H](CO)CNC(=O)c1cc(C(=O)[O-])co1	ZINC000911650766	613415711	/nfs/dbraw/zinc/41/57/11/613415711.db2.gz	GJNIFZJAQSAFSB-QMMMGPOBSA-N	-1	0	253.254	0.892	20	30		CCEDRM
C=CCn1cc(C(=O)[N-]S(=O)(=O)C2CCCCC2)nn1	ZINC000842703090	613429661	/nfs/dbraw/zinc/42/96/61/613429661.db2.gz	QMQZUUAALBRCLB-UHFFFAOYSA-N	-1	0	298.368	0.856	20	30		CCEDRM
C=C[C@@H](C)O[N-]C(=O)C(=O)Nc1c2c(nn1C)CCCC2	ZINC000873935034	613443301	/nfs/dbraw/zinc/44/33/01/613443301.db2.gz	XRJYJUWXKAYJTH-SECBINFHSA-N	-1	0	292.339	0.860	20	30		CCEDRM
C=C[C@@H](C)O[N-]C(=O)c1c(C)c(C)nn(C)c1=O	ZINC000846548853	613447084	/nfs/dbraw/zinc/44/70/84/613447084.db2.gz	OUWJRFLEHADRIL-SSDOTTSWSA-N	-1	0	251.286	0.633	20	30		CCEDRM
C=CC1(S(=O)(=O)[N-]C(=O)CC2(C#N)CCOCC2)CC1	ZINC000870839717	613450432	/nfs/dbraw/zinc/45/04/32/613450432.db2.gz	UFFRPHDXBWVPJS-UHFFFAOYSA-N	-1	0	298.364	0.861	20	30		CCEDRM
C=CC1(S(=O)(=O)[N-]C(=O)C[C@@H](C)n2cccn2)CC1	ZINC000870838893	613450847	/nfs/dbraw/zinc/45/08/47/613450847.db2.gz	QBCCWGOEGHOQIH-SNVBAGLBSA-N	-1	0	283.353	0.999	20	30		CCEDRM
C=CC1(S(=O)(=O)[N-]C(=O)Cn2cncc2C)CC1	ZINC000870839626	613450889	/nfs/dbraw/zinc/45/08/89/613450889.db2.gz	PNUWMQXPRGNTJH-UHFFFAOYSA-N	-1	0	269.326	0.356	20	30		CCEDRM
C=CC1(S(=O)(=O)[N-]C(=O)[C@@H]2OC[C@@H]3CCC[C@@H]32)CC1	ZINC000893305314	613451140	/nfs/dbraw/zinc/45/11/40/613451140.db2.gz	OXKBPTQHCFVRIU-GARJFASQSA-N	-1	0	285.365	0.966	20	30		CCEDRM
C=CC1(S(=O)(=O)[N-]C(=O)[C@@]23C[C@@H]2COC3(C)C)CC1	ZINC000870839348	613451529	/nfs/dbraw/zinc/45/15/29/613451529.db2.gz	ZVNWPAZQPNRMEF-NOZJJQNGSA-N	-1	0	285.365	0.966	20	30		CCEDRM
C=CC1(S(=O)(=O)[N-]C(=O)[C@H](NC(C)=O)C(C)C)CC1	ZINC000870839805	613451586	/nfs/dbraw/zinc/45/15/86/613451586.db2.gz	XERLTXVENZYDBJ-SNVBAGLBSA-N	-1	0	288.369	0.312	20	30		CCEDRM
C=CC1(S(=O)(=O)[N-]C(=O)[C@H](C(C)C)[NH+](C)C)CC1	ZINC000870835384	613451705	/nfs/dbraw/zinc/45/17/05/613451705.db2.gz	BLHOTLRVOWARLW-JTQLQIEISA-N	-1	0	274.386	0.737	20	30		CCEDRM
C=CC1(S(=O)(=O)[N-]C(=O)c2c(C)nn(C)c2C)CC1	ZINC000870831700	613451936	/nfs/dbraw/zinc/45/19/36/613451936.db2.gz	BENUTDWRFDDBHY-UHFFFAOYSA-N	-1	0	283.353	0.815	20	30		CCEDRM
C=CC1(S(=O)(=O)[N-]C(=O)c2cnc3nccn3c2)CC1	ZINC000870839640	613452279	/nfs/dbraw/zinc/45/22/79/613452279.db2.gz	QBUNDVJIWUISAH-UHFFFAOYSA-N	-1	0	292.320	0.508	20	30		CCEDRM
C=CCC1(C(=O)N[C@H](C)C(=O)N[C@@H](C)C(=O)[O-])CCC1	ZINC000910744332	613456987	/nfs/dbraw/zinc/45/69/87/613456987.db2.gz	XRVXWRDDGXSHSQ-ZJUUUORDSA-N	-1	0	282.340	0.827	20	30		CCEDRM
C=CCC1(S(=O)(=O)[N-]C(=O)c2ccc(=O)n(C)c2)CC1	ZINC000810985991	613461393	/nfs/dbraw/zinc/46/13/93/613461393.db2.gz	MBRSGOJXLNXWCN-UHFFFAOYSA-N	-1	0	296.348	0.554	20	30		CCEDRM
C=CCCC(=O)[N-]S(=O)(=O)c1ccc2n[nH]nc2c1	ZINC000821588892	613462827	/nfs/dbraw/zinc/46/28/27/613462827.db2.gz	NCMQUKFOEHTBLJ-UHFFFAOYSA-N	-1	0	280.309	0.729	20	30		CCEDRM
C=C[C@@H]1OCC[C@H]1C(=O)[N-]S(=O)(=O)C1(COC)CC1	ZINC000835451446	613465758	/nfs/dbraw/zinc/46/57/58/613465758.db2.gz	DOAFTXYZDIAKCM-ZJUUUORDSA-N	-1	0	289.353	0.203	20	30		CCEDRM
C=C[C@@H]1OCC[C@H]1C(=O)[N-]S(=O)(=O)c1cc(C)ccn1	ZINC000835160008	613466265	/nfs/dbraw/zinc/46/62/65/613466265.db2.gz	AEEGBVKLEACHSD-MNOVXSKESA-N	-1	0	296.348	0.786	20	30		CCEDRM
C=CCCCN(C)C(=O)[C@@H]1C[C@@H](O)CN1C(=O)[O-]	ZINC000823496167	613466539	/nfs/dbraw/zinc/46/65/39/613466539.db2.gz	DSMXRQJRTSZOCO-ZJUUUORDSA-N	-1	0	256.302	0.524	20	30		CCEDRM
C=CCCC[C@@H](C)NC(=O)Cn1cnc(-c2nnn[n-]2)n1	ZINC000823894366	613470263	/nfs/dbraw/zinc/47/02/63/613470263.db2.gz	OJELXSGINOVWML-SECBINFHSA-N	-1	0	290.331	0.319	20	30		CCEDRM
C=C[C@@H]1OCC[C@H]1NC(=O)Cc1cc(=O)n(CC(C)C)[n-]1	ZINC000821484737	613470351	/nfs/dbraw/zinc/47/03/51/613470351.db2.gz	VQNAJHBMGUCNJK-OLZOCXBDSA-N	-1	0	293.367	0.835	20	30		CCEDRM
C=CCCC[C@@H](NC(=O)c1cn(C)nc1OC)C(=O)[O-]	ZINC000910923860	613471517	/nfs/dbraw/zinc/47/15/17/613471517.db2.gz	WHPUIUHATCZLBG-SNVBAGLBSA-N	-1	0	281.312	0.968	20	30		CCEDRM
C=CCCC[C@H](NS(=O)(=O)N(C)C(C)C)C(=O)[O-]	ZINC000903059699	613474656	/nfs/dbraw/zinc/47/46/56/613474656.db2.gz	TXRIWBYDHFXXAO-JTQLQIEISA-N	-1	0	278.374	0.971	20	30		CCEDRM
C=C[C@@](C)(O)C(=O)N1CC[C@](C(=O)[O-])(C(F)(F)F)C1	ZINC000909764100	613477873	/nfs/dbraw/zinc/47/78/73/613477873.db2.gz	WXTUYSAWRYDBGY-ZJUUUORDSA-N	-1	0	281.230	0.789	20	30		CCEDRM
C=C[C@@](C)(O)CC(=O)N1CCSC[C@@H]1c1nnn[n-]1	ZINC000907479111	613480007	/nfs/dbraw/zinc/48/00/07/613480007.db2.gz	JJRGBSAUUQHSTN-LDYMZIIASA-N	-1	0	283.357	0.143	20	30		CCEDRM
C=C[C@H](C)O[N-]C(=O)C(=O)Nc1cc2n(n1)CCCC2	ZINC000846157586	613483713	/nfs/dbraw/zinc/48/37/13/613483713.db2.gz	VQEFMKYKYKYTOE-VIFPVBQESA-N	-1	0	278.312	0.780	20	30		CCEDRM
C=C[C@H](C)O[N-]C(=O)[C@@H](c1cncn1C)N(C)C	ZINC000846555631	613488241	/nfs/dbraw/zinc/48/82/41/613488241.db2.gz	TXKXQRXGHIVHFY-GXSJLCMTSA-N	-1	0	252.318	0.645	20	30		CCEDRM
C=C[C@H](CC(=O)NCC(=O)NCC(=O)[O-])c1ccccc1	ZINC000910332398	613488669	/nfs/dbraw/zinc/48/86/69/613488669.db2.gz	KRSONDUDUAVTGB-LLVKDONJSA-N	-1	0	290.319	0.663	20	30		CCEDRM
C=C[C@H](O)C(=O)N[C@@](C)(CC(=O)[O-])c1ccncc1	ZINC000911620244	613496859	/nfs/dbraw/zinc/49/68/59/613496859.db2.gz	OJNOYDVHWUOAQV-GWCFXTLKSA-N	-1	0	264.281	0.435	20	30		CCEDRM
C=C[C@](C)(CCOC)C(=O)NC[C@@](C)(O)C(=O)[O-]	ZINC000911474912	613505691	/nfs/dbraw/zinc/50/56/91/613505691.db2.gz	ZUCXKGZCHMPCAU-VXGBXAGGSA-N	-1	0	259.302	0.167	20	30		CCEDRM
CC#CCCCC(=O)[N-]S(=O)(=O)C[C@@H](COC)OC	ZINC000853206123	613520545	/nfs/dbraw/zinc/52/05/45/613520545.db2.gz	MQHVKVXEEBUJEO-LLVKDONJSA-N	-1	0	291.369	0.287	20	30		CCEDRM
CC#CCCCC(=O)N1CCOC[C@@H]1c1nnn[n-]1	ZINC000913496736	613520659	/nfs/dbraw/zinc/52/06/59/613520659.db2.gz	BDVACOULKPIEGC-SNVBAGLBSA-N	-1	0	263.301	0.293	20	30		CCEDRM
CC#CCCNC(=O)CCCn1ccc(C(=O)[O-])n1	ZINC000911409775	613521814	/nfs/dbraw/zinc/52/18/14/613521814.db2.gz	ZMMJJKJRWMFBJT-UHFFFAOYSA-N	-1	0	263.297	0.891	20	30		CCEDRM
CC#CCCNC(=O)N[C@]1(C(=O)[O-])CCSC1	ZINC000909032476	613522829	/nfs/dbraw/zinc/52/28/29/613522829.db2.gz	UWQHOWPLFGGEOL-LLVKDONJSA-N	-1	0	256.327	0.659	20	30		CCEDRM
C=CCCO[N-]C(=O)[C@@H]1Nc2ccccc2S(=O)(=O)N1	ZINC000856031295	613577025	/nfs/dbraw/zinc/57/70/25/613577025.db2.gz	KFRJFROYDTXMBS-LLVKDONJSA-N	-1	0	297.336	0.340	20	30		CCEDRM
C=CCCO[N-]C(=O)[C@]12CCC(=O)N1CCS2	ZINC000856029837	613577228	/nfs/dbraw/zinc/57/72/28/613577228.db2.gz	GBGCWOLKUIKXRQ-LLVKDONJSA-N	-1	0	256.327	0.676	20	30		CCEDRM
C=CCCO[C@@H](C)C(=O)N1CCN(C(=O)[O-])C[C@@H]1C#N	ZINC000823496524	613577783	/nfs/dbraw/zinc/57/77/83/613577783.db2.gz	KRITYVTWEZTWGS-QWRGUYRKSA-N	-1	0	281.312	0.682	20	30		CCEDRM
C=CCCO[C@H](C)C(=O)[N-]S(=O)(=O)c1cccn1C	ZINC000839062246	613579633	/nfs/dbraw/zinc/57/96/33/613579633.db2.gz	DOQFLZXWDWDRJY-SNVBAGLBSA-N	-1	0	286.353	0.811	20	30		CCEDRM
C=CCCS(=O)(=O)NC(C)(C)CNC(=O)[O-]	ZINC000823500546	613581059	/nfs/dbraw/zinc/58/10/59/613581059.db2.gz	GRQWYPTUXGZAGK-UHFFFAOYSA-N	-1	0	250.320	0.528	20	30		CCEDRM
C=CCC[C@@H](NC(=O)Cc1cncc(O)c1)C(=O)[O-]	ZINC000909714134	613584875	/nfs/dbraw/zinc/58/48/75/613584875.db2.gz	UCUQWRAXHACHSE-LLVKDONJSA-N	-1	0	264.281	0.865	20	30		CCEDRM
C=CCC[C@@H](NC(=O)[C@H]1CCc2nnn(C)c2C1)C(=O)[O-]	ZINC000909713588	613585063	/nfs/dbraw/zinc/58/50/63/613585063.db2.gz	GMOIQBCZWXPZSW-GXSJLCMTSA-N	-1	0	292.339	0.456	20	30		CCEDRM
C=CCC[C@H](NC(=O)Cc1cn(CC)nn1)C(=O)[O-]	ZINC000899296515	613589469	/nfs/dbraw/zinc/58/94/69/613589469.db2.gz	YYNDCGGUKMFNML-JTQLQIEISA-N	-1	0	266.301	0.376	20	30		CCEDRM
C=CCC[C@H](NC(=O)/C=C\c1cn(C)cn1)C(=O)[O-]	ZINC000923081644	613589546	/nfs/dbraw/zinc/58/95/46/613589546.db2.gz	LWCDXZZHVXMEHS-ZADCQDASSA-N	-1	0	263.297	0.969	20	30		CCEDRM
C=CCC[C@H](NC(=O)N[C@@H](C)[C@H]1CN(C)CCO1)C(=O)[O-]	ZINC000929049947	613589835	/nfs/dbraw/zinc/58/98/35/613589835.db2.gz	NQWXSCINHUIQAV-SDDRHHMPSA-N	-1	0	299.371	0.424	20	30		CCEDRM
C=CCC[C@H](NC(=O)[C@@H]1CCc2nnc(C)n2C1)C(=O)[O-]	ZINC000909719210	613589857	/nfs/dbraw/zinc/58/98/57/613589857.db2.gz	YVRITNOXTYRHRI-MNOVXSKESA-N	-1	0	292.339	0.685	20	30		CCEDRM
C=CCCn1cc(C(=O)N[C@H]2C[C@@H]3C[C@]3(C(=O)[O-])C2)nn1	ZINC000864211271	613596094	/nfs/dbraw/zinc/59/60/94/613596094.db2.gz	IUFBLCYRDDFNAB-BFVZDQMLSA-N	-1	0	290.323	0.837	20	30		CCEDRM
C=CCCn1cc(C([O-])=C(C#N)C(=O)NCC=C)nn1	ZINC000819943984	613598135	/nfs/dbraw/zinc/59/81/35/613598135.db2.gz	KMBKZWHUXJQEFY-JTQLQIEISA-N	-1	0	273.296	0.479	20	30		CCEDRM
C=CCCn1cc(C([O-])=C(C#N)C(=O)c2nccn2C)nn1	ZINC000820318816	613598156	/nfs/dbraw/zinc/59/81/56/613598156.db2.gz	FUYNQZOXJWMWAJ-JTQLQIEISA-N	-1	0	298.306	0.793	20	30		CCEDRM
C=CCN(C(=O)C(=O)NC[C@@H](C(=O)[O-])C(C)C)C(C)C	ZINC000848612575	613603214	/nfs/dbraw/zinc/60/32/14/613603214.db2.gz	RCHLGIONMSQTNW-LLVKDONJSA-N	-1	0	284.356	0.882	20	30		CCEDRM
CC#CCS(=O)(=O)[N-]C(=O)[C@H]1CCO[C@H](CC)C1	ZINC000810777808	613647067	/nfs/dbraw/zinc/64/70/67/613647067.db2.gz	PZZNXSFUFOVMMF-WDEREUQCSA-N	-1	0	273.354	0.661	20	30		CCEDRM
C=CCN(CC(=O)[O-])C(=O)Cc1cnn(CC)c1	ZINC000909517088	613642379	/nfs/dbraw/zinc/64/23/79/613642379.db2.gz	ZZXVYABJPGJMGY-UHFFFAOYSA-N	-1	0	251.286	0.545	20	30		CCEDRM
C=CCN(CC(=O)[O-])C(=O)Cc1ccn(CC)n1	ZINC000846117911	613642792	/nfs/dbraw/zinc/64/27/92/613642792.db2.gz	HZGXVAWAQGHNJG-UHFFFAOYSA-N	-1	0	251.286	0.545	20	30		CCEDRM
C=CCN(CC(=O)[O-])C(=O)[C@@H](OCC)C1CCOCC1	ZINC000864136040	613643211	/nfs/dbraw/zinc/64/32/11/613643211.db2.gz	RIDDFFYTNLMDEM-ZDUSSCGKSA-N	-1	0	285.340	0.917	20	30		CCEDRM
C=CCN(CC(=O)[O-])C(=O)[C@H](OC)[C@@H]1CCOC1	ZINC000851603306	613643376	/nfs/dbraw/zinc/64/33/76/613643376.db2.gz	NVGQEYNURNJPFD-MWLCHTKSSA-N	-1	0	257.286	0.137	20	30		CCEDRM
C=CCN(CC(=O)[O-])S(=O)(=O)c1cn(C)nc1CC	ZINC000902981779	613644079	/nfs/dbraw/zinc/64/40/79/613644079.db2.gz	DQESVVZEILPQLB-UHFFFAOYSA-N	-1	0	287.341	0.244	20	30		CCEDRM
C=CCN(CC(=O)OCC)C(=O)c1cc(=O)[nH]cn1	ZINC000860424753	613645420	/nfs/dbraw/zinc/64/54/20/613645420.db2.gz	MASRHXUZYSMHLK-UHFFFAOYSA-N	-1	0	265.269	0.374	20	30		CCEDRM
C=CCN(CC(=O)OCC)S(=O)(=O)C[C@@H](C)C(=O)[O-]	ZINC000825681544	613645859	/nfs/dbraw/zinc/64/58/59/613645859.db2.gz	AQQJDFSQIKWSJT-SECBINFHSA-N	-1	0	293.341	0.088	20	30		CCEDRM
CC#CCS(=O)(=O)[N-]C(=O)CCCc1cccnc1	ZINC000850999216	613645911	/nfs/dbraw/zinc/64/59/11/613645911.db2.gz	AKWZAXXZGNHIDB-UHFFFAOYSA-N	-1	0	280.349	0.874	20	30		CCEDRM
CC#CCS(=O)(=O)[N-]C(=O)[C@H](CC(C)C)OC	ZINC000842345645	613647183	/nfs/dbraw/zinc/64/71/83/613647183.db2.gz	IALQLLNCNQXFLZ-JTQLQIEISA-N	-1	0	261.343	0.517	20	30		CCEDRM
CC#CCS(=O)(=O)[N-]C(=O)c1cc(C)cc([N+](=O)[O-])c1	ZINC000810775542	613647533	/nfs/dbraw/zinc/64/75/33/613647533.db2.gz	KEOUQRVFNVEVLO-UHFFFAOYSA-N	-1	0	296.304	0.986	20	30		CCEDRM
CC#CCS(=O)(=O)[N-]C(=O)c1cccc(C#N)n1	ZINC000810776545	613647807	/nfs/dbraw/zinc/64/78/07/613647807.db2.gz	XRJYBHWFBQLYKO-UHFFFAOYSA-N	-1	0	263.278	0.036	20	30		CCEDRM
CC(=NNc1[n-]cnc2ncnc1-2)c1cc(C(N)=O)n(C)c1	ZINC000917556208	613657684	/nfs/dbraw/zinc/65/76/84/613657684.db2.gz	WKUCSDYYOOQNIP-UHFFFAOYSA-N	-1	0	298.310	0.626	20	30		CCEDRM
CC(=O)CCC(=O)[N-]S(=O)(=O)c1cncc(C#N)c1	ZINC000813980909	613668769	/nfs/dbraw/zinc/66/87/69/613668769.db2.gz	OGDROOZLMOHLEM-UHFFFAOYSA-N	-1	0	281.293	0.127	20	30		CCEDRM
C=CCNC(=O)N1CCO[C@@H]([C@H](C)NC(=O)[O-])C1	ZINC000823506325	613849256	/nfs/dbraw/zinc/84/92/56/613849256.db2.gz	GNFQGJGEFKSRTE-DTWKUNHWSA-N	-1	0	257.290	0.239	20	30		CCEDRM
C=CCNC(=O)[C@@H](C)OC(=O)CC1CN(C(=O)[O-])C1	ZINC000823506063	613853779	/nfs/dbraw/zinc/85/37/79/613853779.db2.gz	CEPUZTUJQAXCOL-MRVPVSSYSA-N	-1	0	270.285	0.220	20	30		CCEDRM
C=CCNC(=O)C(C#N)=C([O-])c1ccc(-n2cnnc2)cc1	ZINC000105757669	613854913	/nfs/dbraw/zinc/85/49/13/613854913.db2.gz	SXABTIPQXOVJDO-CYBMUJFWSA-N	-1	0	295.302	0.892	20	30		CCEDRM
C=CCNC(=O)[C@H](C)OC(=O)[C@H]1CCC[C@@H]1NC(=O)[O-]	ZINC000823506022	613855794	/nfs/dbraw/zinc/85/57/94/613855794.db2.gz	AYWYRMLMDBNGAO-GUBZILKMSA-N	-1	0	284.312	0.657	20	30		CCEDRM
C=CCNC(=O)[C@H](C)OC(=O)[C@](C)(C#N)CC(=O)[O-]	ZINC000819720446	613855851	/nfs/dbraw/zinc/85/58/51/613855851.db2.gz	ZBTIFIHBEZVCRK-UFBFGSQYSA-N	-1	0	268.269	0.225	20	30		CCEDRM
C=CCNS(=O)(=O)c1sc(C(=O)[O-])cc1OC	ZINC000825692417	613860210	/nfs/dbraw/zinc/86/02/10/613860210.db2.gz	UEFHHSNNRUFTCX-UHFFFAOYSA-N	-1	0	277.323	0.919	20	30		CCEDRM
C=CCOCC(=O)N(C)[C@H](COC(C)C)C(=O)[O-]	ZINC000825691885	613879092	/nfs/dbraw/zinc/87/90/92/613879092.db2.gz	CCQGAWDLBRLJFD-SNVBAGLBSA-N	-1	0	259.302	0.526	20	30		CCEDRM
C=CCOCC(=O)N1C[C@@H]2CCC[C@H]2[C@@H]1C(=O)[O-]	ZINC000909675224	613879282	/nfs/dbraw/zinc/87/92/82/613879282.db2.gz	FALWJOKRFFRUSL-HOSYDEDBSA-N	-1	0	253.298	0.901	20	30		CCEDRM
C=CCOCCCC(=O)N1CCN(C(=O)[O-])CC1	ZINC000823516705	613879601	/nfs/dbraw/zinc/87/96/01/613879601.db2.gz	SRDHRQHZECBJBK-UHFFFAOYSA-N	-1	0	256.302	0.791	20	30		CCEDRM
C=CCOCCCC(=O)N1CCN(C(=O)[O-])C[C@@H]1C#N	ZINC000823516324	613879630	/nfs/dbraw/zinc/87/96/30/613879630.db2.gz	GMMBHNYZGGKLAS-NSHDSACASA-N	-1	0	281.312	0.684	20	30		CCEDRM
C=CCOCCNC(=O)N1C[C@@H](F)C[C@H]1C(=O)[O-]	ZINC000837300238	613880729	/nfs/dbraw/zinc/88/07/29/613880729.db2.gz	DFEHMMXAVQVIOM-IUCAKERBSA-N	-1	0	260.265	0.396	20	30		CCEDRM
C=CCOCC[N-]S(=O)(=O)N=[S@@](C)(=O)CC	ZINC000867071847	613881236	/nfs/dbraw/zinc/88/12/36/613881236.db2.gz	MPPBBRZATVKTPS-HNNXBMFYSA-N	-1	0	270.376	0.141	20	30		CCEDRM
C=CCOC[C@@H](NC(=O)/C=C/c1cn(C)cn1)C(=O)[O-]	ZINC000923078136	613881601	/nfs/dbraw/zinc/88/16/01/613881601.db2.gz	DTLXIEUDOAETIZ-SGUJLRQBSA-N	-1	0	279.296	0.205	20	30		CCEDRM
C=CCOC[C@H](NC(=O)/C=C\[C@@H]1CCOC1)C(=O)[O-]	ZINC000909772950	613882204	/nfs/dbraw/zinc/88/22/04/613882204.db2.gz	YUGSNGCADHBKTL-CJOPTALJSA-N	-1	0	269.297	0.351	20	30		CCEDRM
C=CCOC[C@H](NC(=O)CCc1cccnc1)C(=O)[O-]	ZINC000909771560	613882366	/nfs/dbraw/zinc/88/23/66/613882366.db2.gz	RDAPVMNOFMAVOA-LBPRGKRZSA-N	-1	0	278.308	0.786	20	30		CCEDRM
C=CCOC[C@H](NC(=O)N[C@@H]1CSC[C@@H]1C)C(=O)[O-]	ZINC000929036145	613882445	/nfs/dbraw/zinc/88/24/45/613882445.db2.gz	CUZQICGXVGYLPA-LPEHRKFASA-N	-1	0	288.369	0.693	20	30		CCEDRM
C=CCOC[C@H](NC(=O)[C@@H]1[C@H](C)[C@@H]1OCC)C(=O)[O-]	ZINC000909765822	613882567	/nfs/dbraw/zinc/88/25/67/613882567.db2.gz	FRJFOMXXMFKECR-MMWGEVLESA-N	-1	0	271.313	0.429	20	30		CCEDRM
C=CCO[N-]C(=O)CNS(=O)(=O)c1ccc(C)cc1	ZINC000839788471	613883118	/nfs/dbraw/zinc/88/31/18/613883118.db2.gz	FLVSWGTVHJBSEB-UHFFFAOYSA-N	-1	0	284.337	0.507	20	30		CCEDRM
C=CCO[N-]C(=O)[C@@](C)(O)Cn1c(C)cccc1=O	ZINC000837048154	613884457	/nfs/dbraw/zinc/88/44/57/613884457.db2.gz	LVYDQYRJEOYMIG-ZDUSSCGKSA-N	-1	0	266.297	0.142	20	30		CCEDRM
C=CCS(=O)(=O)[N-]C(=O)[C@]1(OC)CCSC1	ZINC000892882959	613886274	/nfs/dbraw/zinc/88/62/74/613886274.db2.gz	RMTBSSGSWRGIKT-VIFPVBQESA-N	-1	0	265.356	0.141	20	30		CCEDRM
C=CCS(=O)(=O)[N-]C(=O)c1cnc2n1CCCC2	ZINC000835252607	613886295	/nfs/dbraw/zinc/88/62/95/613886295.db2.gz	BKDMALNRKAOGGJ-UHFFFAOYSA-N	-1	0	269.326	0.465	20	30		CCEDRM
C=CCS(=O)(=O)[N-]C(=O)c1ccc(Cl)nc1	ZINC000802121568	613886298	/nfs/dbraw/zinc/88/62/98/613886298.db2.gz	HQNJTZNNZYLAEC-UHFFFAOYSA-N	-1	0	260.702	0.981	20	30		CCEDRM
C=CCS(=O)(=O)[N-]C(=O)c1cn(C)nc1C1CCC1	ZINC000842330108	613886362	/nfs/dbraw/zinc/88/63/62/613886362.db2.gz	WFJSEFIXGAXAFK-UHFFFAOYSA-N	-1	0	283.353	0.933	20	30		CCEDRM
C=CCS(=O)(=O)[N-]C(=O)c1ccnn1CCC	ZINC000850913537	613886372	/nfs/dbraw/zinc/88/63/72/613886372.db2.gz	RXGJHTHNBHBGSV-UHFFFAOYSA-N	-1	0	257.315	0.539	20	30		CCEDRM
CC(C)(C)OC(=O)COC(=O)[C@@](C)(C#N)CC(=O)[O-]	ZINC000819914636	613967549	/nfs/dbraw/zinc/96/75/49/613967549.db2.gz	ABQUBAIFFPKQQA-GFCCVEGCSA-N	-1	0	271.269	0.876	20	30		CCEDRM
CC(C)(C)[C@H](NC(=O)[O-])C(=O)N1CCO[C@@H](C#N)C1	ZINC000823843864	614034889	/nfs/dbraw/zinc/03/48/89/614034889.db2.gz	TYLFSHMQNUPUCB-DTWKUNHWSA-N	-1	0	269.301	0.420	20	30		CCEDRM
CC(C)[C@@](C)(C#N)NC(=O)[C@@H](C)[N@@H+]1CC[C@@H](C(=O)[O-])C1	ZINC000817733686	614180824	/nfs/dbraw/zinc/18/08/24/614180824.db2.gz	SKYKCFROSVLFHI-JTNHKYCSSA-N	-1	0	281.356	0.836	20	30		CCEDRM
CC(C)(O)CNN=Cc1ccc([N+](=O)[O-])c([O-])c1	ZINC000863139915	614194241	/nfs/dbraw/zinc/19/42/41/614194241.db2.gz	WCBNIUVMBTVIAK-UHFFFAOYSA-N	-1	0	253.258	0.995	20	30		CCEDRM
CC(C)[C@H]([N-]C(=O)C(F)(F)F)C(=O)N1CC(C#N)C1	ZINC000817553295	614229408	/nfs/dbraw/zinc/22/94/08/614229408.db2.gz	AZAULPDBZSFJIK-QMMMGPOBSA-N	-1	0	277.246	0.671	20	30		CCEDRM
CC(C)Cn1[n-]c(CC(=O)NC(C)(C)C#N)cc1=O	ZINC000932347259	614235486	/nfs/dbraw/zinc/23/54/86/614235486.db2.gz	ASXRHVDYVMGQMH-UHFFFAOYSA-N	-1	0	264.329	0.793	20	30		CCEDRM
CC(C)(C#N)CNC(=O)N1CCN(C(=O)[O-])CC1	ZINC000833414345	614285745	/nfs/dbraw/zinc/28/57/45/614285745.db2.gz	ZXGJANXDJAQDDI-UHFFFAOYSA-N	-1	0	254.290	0.541	20	30		CCEDRM
CC(C)(C#N)CS(=O)(=O)NC[C@](C)(O)C(F)(F)F	ZINC000914304628	614287738	/nfs/dbraw/zinc/28/77/38/614287738.db2.gz	DILMZJJXAIBAOV-QMMMGPOBSA-N	-1	0	288.291	0.769	20	30		CCEDRM
CC(C)n1ccc(C(=O)N2CCN(C(=O)[O-])C[C@H]2C#N)n1	ZINC000824520228	614359521	/nfs/dbraw/zinc/35/95/21/614359521.db2.gz	MZXSFKCVMDAPAN-SNVBAGLBSA-N	-1	0	291.311	0.792	20	30		CCEDRM
CCC(C#N)(CC)C(=O)[N-]S(=O)(=O)CCC#N	ZINC000860752326	614470317	/nfs/dbraw/zinc/47/03/17/614470317.db2.gz	LSIJSLFRHSZEBO-UHFFFAOYSA-N	-1	0	257.315	0.676	20	30		CCEDRM
CC1(C(=O)[O-])CN(C(=O)[C@]2(C#N)CCCOC2)C1	ZINC000923088088	614495426	/nfs/dbraw/zinc/49/54/26/614495426.db2.gz	DSWJAHQMTNDJOI-LBPRGKRZSA-N	-1	0	252.270	0.240	20	30		CCEDRM
CC1(C)CC[C@@H](Cn2c(=O)[n-]cc(C#N)c2=O)OC1	ZINC000865369857	614560194	/nfs/dbraw/zinc/56/01/94/614560194.db2.gz	JCXAPNGXFFYMSW-JTQLQIEISA-N	-1	0	263.297	0.613	20	30		CCEDRM
CCN(C(=O)CCn1cc(C#N)c(=O)[n-]c1=O)C(C)C	ZINC000874110539	614591347	/nfs/dbraw/zinc/59/13/47/614591347.db2.gz	BKNPVWXFFIMFOH-UHFFFAOYSA-N	-1	0	278.312	0.468	20	30		CCEDRM
CCN(CC#N)C(=O)C[C@@H]1CSCCN1C(=O)[O-]	ZINC000826992773	614923116	/nfs/dbraw/zinc/92/31/16/614923116.db2.gz	UIIFJNLUQBVIBM-SECBINFHSA-N	-1	0	271.342	0.844	20	30		CCEDRM
CCCO[N-]C(=O)C(=O)Nc1cccc(OCC#N)c1	ZINC000834347834	614942833	/nfs/dbraw/zinc/94/28/33/614942833.db2.gz	WLGHAYAJVRRZTI-UHFFFAOYSA-N	-1	0	277.280	0.985	20	30		CCEDRM
CCC[C@@H](NC(=O)[O-])C(=O)OC1CCN(CC#N)CC1	ZINC000826758271	614991606	/nfs/dbraw/zinc/99/16/06/614991606.db2.gz	NAKNEQCYOPJCNZ-LLVKDONJSA-N	-1	0	283.328	0.954	20	30		CCEDRM
CC1CC(C#N)(C(=O)[N-]OCCN2CCCC2=O)C1	ZINC000856041598	615010941	/nfs/dbraw/zinc/01/09/41/615010941.db2.gz	SDFKHFCEGYSFMW-UHFFFAOYSA-N	-1	0	265.313	0.596	20	30		CCEDRM
CCN(CCCC(=O)[O-])S(=O)(=O)CCCC#N	ZINC000899939633	615042137	/nfs/dbraw/zinc/04/21/37/615042137.db2.gz	QIOLZMNQVSSYQY-UHFFFAOYSA-N	-1	0	262.331	0.807	20	30		CCEDRM
CCN(C[C@H](C)C#N)C(=O)C[C@H]1CN(C(=O)[O-])CCO1	ZINC000827020030	615064863	/nfs/dbraw/zinc/06/48/63/615064863.db2.gz	KHDYBASXXDDTHV-MNOVXSKESA-N	-1	0	283.328	0.763	20	30		CCEDRM
CCOC(=O)CCNC(=O)[C@@](C)(C#N)CC(=O)[O-]	ZINC000820364552	615178937	/nfs/dbraw/zinc/17/89/37/615178937.db2.gz	LHJORWHBKUDORR-LLVKDONJSA-N	-1	0	256.258	0.060	20	30		CCEDRM
CCOC[C@@H](C(=O)[O-])N(C)C(=O)c1cc(C#N)c[nH]1	ZINC000829961641	615304076	/nfs/dbraw/zinc/30/40/76/615304076.db2.gz	UDKDRKSZTMOZFY-JTQLQIEISA-N	-1	0	265.269	0.448	20	30		CCEDRM
CCOC[C@H](C(=O)[O-])N(C)C(=O)CSCC#N	ZINC000829954281	615312648	/nfs/dbraw/zinc/31/26/48/615312648.db2.gz	FRQAPQYPXJJBAL-MRVPVSSYSA-N	-1	0	260.315	0.191	20	30		CCEDRM
CCOC[C@H](C(=O)[O-])N(C)C(=O)c1cc(C#N)c[nH]1	ZINC000829961646	615313022	/nfs/dbraw/zinc/31/30/22/615313022.db2.gz	UDKDRKSZTMOZFY-SNVBAGLBSA-N	-1	0	265.269	0.448	20	30		CCEDRM
CCO[N-]C(=O)CNC(=O)N1CCC(CC#N)CC1	ZINC000845540505	615359595	/nfs/dbraw/zinc/35/95/95/615359595.db2.gz	PZSAPWLXFKBBMM-UHFFFAOYSA-N	-1	0	268.317	0.389	20	30		CCEDRM
CCO[N-]C(=O)CNC(=O)N1CCC[C@@H](CC#N)C1	ZINC000852399958	615360204	/nfs/dbraw/zinc/36/02/04/615360204.db2.gz	WBAULQJZGDDZSR-JTQLQIEISA-N	-1	0	268.317	0.389	20	30		CCEDRM
CC[C@@H](C#N)NS(=O)(=O)c1cc(C(=O)[O-])c(C)o1	ZINC000833636157	615366521	/nfs/dbraw/zinc/36/65/21/615366521.db2.gz	JUCGYNHHDHNWOU-ZETCQYMHSA-N	-1	0	272.282	0.867	20	30		CCEDRM
CCO[N-]C(=O)CNC(=O)[C@@H]1C[C@H]1c1cccc(C#N)c1	ZINC000846491904	615368914	/nfs/dbraw/zinc/36/89/14/615368914.db2.gz	UJXJOHVHOVNYOY-QWHCGFSZSA-N	-1	0	287.319	0.846	20	30		CCEDRM
CC[C@@](C)(C#N)C(=O)N1CCO[C@H](CC(=O)[O-])C1	ZINC000923063627	615587963	/nfs/dbraw/zinc/58/79/63/615587963.db2.gz	CAGYMAIMLDMGAA-SKDRFNHKSA-N	-1	0	254.286	0.628	20	30		CCEDRM
CCn1nc(C)c(C([O-])=C(C#N)C(=O)NC2CCCC2)n1	ZINC000815913304	615650740	/nfs/dbraw/zinc/65/07/40/615650740.db2.gz	OAVHJDXPDGGCIX-LLVKDONJSA-N	-1	0	289.339	0.988	20	30		CCEDRM
CCc1ccc(C=NOCC(=O)NCC(=O)[O-])cc1	ZINC000820479881	615670712	/nfs/dbraw/zinc/67/07/12/615670712.db2.gz	FAXXQYHOIDXFIJ-UHFFFAOYSA-N	-1	0	264.281	0.800	20	30		CCEDRM
CCn1ncn(N=Cc2ccccc2OCC(=O)[O-])c1=O	ZINC000814235603	615729391	/nfs/dbraw/zinc/72/93/91/615729391.db2.gz	RZMJHVLXTQXIJA-UHFFFAOYSA-N	-1	0	290.279	0.410	20	30		CCEDRM
CCc1nc(CCNC(=O)[C@@](C)(C#N)CC(=O)[O-])no1	ZINC000820492751	615740552	/nfs/dbraw/zinc/74/05/52/615740552.db2.gz	PRODNNPCXUWSLO-GFCCVEGCSA-N	-1	0	280.284	0.295	20	30		CCEDRM
CC[C@H](C[C@@H](C)CO)NC(=O)[C@](C)(C#N)CC(=O)[O-]	ZINC000820272482	615745901	/nfs/dbraw/zinc/74/59/01/615745901.db2.gz	CQUCQEWHZPGCMB-BREBYQMCSA-N	-1	0	270.329	0.904	20	30		CCEDRM
CCc1ncc(C([O-])=C(C#N)C(=O)NCCOC)s1	ZINC000920838859	615772327	/nfs/dbraw/zinc/77/23/27/615772327.db2.gz	UTROAXZWZUSADY-MRVPVSSYSA-N	-1	0	281.337	0.791	20	30		CCEDRM
CCc1noc(C)c1C(=O)[N-]S(=O)(=O)CC1(C#N)CC1	ZINC000793200435	615831689	/nfs/dbraw/zinc/83/16/89/615831689.db2.gz	BNUNTQHVIRMKAJ-UHFFFAOYSA-N	-1	0	297.336	0.909	20	30		CCEDRM
CCn1[n-]nnc1=NC(=O)N1CCC(C)(C#N)CC1	ZINC000888330974	615910954	/nfs/dbraw/zinc/91/09/54/615910954.db2.gz	AAPMIIAKMCYINF-UHFFFAOYSA-N	-1	0	263.305	0.272	20	30		CCEDRM
CC[C@](C)(C#N)C(=O)[N-]OCCN1CCCC1=O	ZINC000856044665	615942083	/nfs/dbraw/zinc/94/20/83/615942083.db2.gz	RQOHNYDSJXTBSD-GFCCVEGCSA-N	-1	0	253.302	0.596	20	30		CCEDRM
CCn1cc(S(=O)(=O)[N-]C(=O)[C@H](C)CC#N)cn1	ZINC000850877715	616010639	/nfs/dbraw/zinc/01/06/39/616010639.db2.gz	GWEVCVCEYLPXBT-MRVPVSSYSA-N	-1	0	270.314	0.258	20	30		CCEDRM
CN(C)c1cnc(C([O-])=C(C#N)C(=O)c2nccn2C)cn1	ZINC000847665483	616031989	/nfs/dbraw/zinc/03/19/89/616031989.db2.gz	VAJKYUAGVPNSES-VIFPVBQESA-N	-1	0	298.306	0.481	20	30		CCEDRM
CN(C)c1cnc(C([O-])=C(C#N)C(=O)c2nccn2C)cn1	ZINC000847665481	616032045	/nfs/dbraw/zinc/03/20/45/616032045.db2.gz	VAJKYUAGVPNSES-SECBINFHSA-N	-1	0	298.306	0.481	20	30		CCEDRM
CN(CCC(=O)[O-])c1ncnc2c1cnn2CCC#N	ZINC000818469918	616069255	/nfs/dbraw/zinc/06/92/55/616069255.db2.gz	LOPOJFHKCCGDBE-UHFFFAOYSA-N	-1	0	274.284	0.651	20	30		CCEDRM
CN(CCCC(=O)[O-])C(=O)[C@]1(C#N)CCCOC1	ZINC000923043185	616072031	/nfs/dbraw/zinc/07/20/31/616072031.db2.gz	IFRXEAJVPCDTKK-LBPRGKRZSA-N	-1	0	254.286	0.630	20	30		CCEDRM
COCCNC(=O)C(C#N)=C([O-])c1ccnn1C(F)F	ZINC000850757362	616492977	/nfs/dbraw/zinc/49/29/77/616492977.db2.gz	JOICDLKVFCFONT-ZETCQYMHSA-N	-1	0	286.238	0.363	20	30		CCEDRM
COC(=O)CCCO[N-]C(=O)CNc1ccc(C#N)cc1	ZINC000811557443	616537965	/nfs/dbraw/zinc/53/79/65/616537965.db2.gz	CQYNLKPCPMZVHM-UHFFFAOYSA-N	-1	0	291.307	0.971	20	30		CCEDRM
COCCOCCn1cc(C(=O)[O-])cc(C#N)c1=O	ZINC000831767841	616555361	/nfs/dbraw/zinc/55/53/61/616555361.db2.gz	TWDRSTCHHXPRNN-UHFFFAOYSA-N	-1	0	266.253	0.081	20	30		CCEDRM
COCCS(=O)(=O)[N-]C(=O)c1cc(C#N)oc1C	ZINC000797946952	616610149	/nfs/dbraw/zinc/61/01/49/616610149.db2.gz	JRBWUVRTBZRAQB-UHFFFAOYSA-N	-1	0	272.282	0.166	20	30		CCEDRM
COC(=O)C[C@H](C)C(=O)C(C#N)=C([O-])c1nccn1C	ZINC000122498189	616683374	/nfs/dbraw/zinc/68/33/74/616683374.db2.gz	TWKUWLPIEPTKAK-DTWKUNHWSA-N	-1	0	277.280	0.511	20	30		CCEDRM
COCCn1cc(NC(=O)[C@](C)(C#N)CC(=O)[O-])cn1	ZINC000820738501	616738312	/nfs/dbraw/zinc/73/83/12/616738312.db2.gz	FZDWGSSMVPSKIO-LBPRGKRZSA-N	-1	0	280.284	0.473	20	30		CCEDRM
CNC(=O)C(C#N)=C([O-])c1cc(C)nc2c1c(C)nn2C	ZINC000917002640	616839261	/nfs/dbraw/zinc/83/92/61/616839261.db2.gz	MJNYEALPFJXISO-SNVBAGLBSA-N	-1	0	285.307	0.654	20	30		CCEDRM
COCCCNC(=O)C(C#N)=C([O-])c1cncc(F)c1	ZINC000151543158	616898468	/nfs/dbraw/zinc/89/84/68/616898468.db2.gz	JJGCAXYZXRXGIQ-NSHDSACASA-N	-1	0	279.271	0.696	20	30		CCEDRM
COCc1cnc(C=NNc2nnc(C)c(=O)[n-]2)s1	ZINC000814735158	616912864	/nfs/dbraw/zinc/91/28/64/616912864.db2.gz	SSFXFVOVLRPVQT-UHFFFAOYSA-N	-1	0	280.313	0.935	20	30		CCEDRM
CNC(=S)NN=C(C)c1ccc(-c2nn[nH]n2)s1	ZINC000826073200	616930885	/nfs/dbraw/zinc/93/08/85/616930885.db2.gz	JGILMCKYJDNTMJ-UHFFFAOYSA-N	-1	0	281.370	0.746	20	30		CCEDRM
COCCN(CC(=O)[O-])C(=O)c1cc(C#N)c[nH]1	ZINC000818537166	616982509	/nfs/dbraw/zinc/98/25/09/616982509.db2.gz	XSMHHIPUFVQWEB-UHFFFAOYSA-N	-1	0	251.242	0.060	20	30		CCEDRM
CO[C@H](C(=O)[O-])C(=O)NCC1(C#N)CCCCC1	ZINC000902071869	616991509	/nfs/dbraw/zinc/99/15/09/616991509.db2.gz	JICAXSXYLDWZSF-VIFPVBQESA-N	-1	0	254.286	0.676	20	30		CCEDRM
COC[C@@](C)(C#N)NC(=O)[C@@H]1CC12CCN(C(=O)[O-])CC2	ZINC000833881834	617010935	/nfs/dbraw/zinc/01/09/35/617010935.db2.gz	DNXICNBUHBBRAC-GXFFZTMASA-N	-1	0	295.339	0.811	20	30		CCEDRM
CO[N-]C(=O)CNC(=O)N(C)Cc1cccc(C#N)c1	ZINC000927205589	617111057	/nfs/dbraw/zinc/11/10/57/617111057.db2.gz	SYCLCYPBKVJXKC-UHFFFAOYSA-N	-1	0	276.296	0.377	20	30		CCEDRM
COc1cc(C#N)ccc1OCCN(CC#N)CC(=O)[O-]	ZINC000831861054	617152917	/nfs/dbraw/zinc/15/29/17/617152917.db2.gz	MGCGKAPRWYRCGN-UHFFFAOYSA-N	-1	0	289.291	0.856	20	30		CCEDRM
CO[C@@H](CC(=O)N[C@H]1CCCN(O)C1=O)C(F)(F)F	ZINC000848130196	617161716	/nfs/dbraw/zinc/16/17/16/617161716.db2.gz	GOSXEBVAGUXQRA-BQBZGAKWSA-N	-1	0	284.234	0.450	20	30		CCEDRM
C=C(Br)CNC(=O)N[C@]1(C(=O)[O-])CCOC1	ZINC000168357501	623027354	/nfs/dbraw/zinc/02/73/54/623027354.db2.gz	SAJYVWUBWFHPSI-SECBINFHSA-N	-1	0	293.117	0.438	20	30		CCEDRM
N#Cc1cccc(CS(=O)(=O)NC/C=C/C(=O)[O-])c1	ZINC000311852349	623807173	/nfs/dbraw/zinc/80/71/73/623807173.db2.gz	PCIILCQIWMOPNG-GORDUTHDSA-N	-1	0	280.305	0.618	20	30		CCEDRM
Cc1cnc(F)cc1C(=O)[N-]S(=O)(=O)CCCC#N	ZINC000892926660	623865440	/nfs/dbraw/zinc/86/54/40/623865440.db2.gz	VLCLCJBWOTXRMV-UHFFFAOYSA-N	-1	0	285.300	0.893	20	30		CCEDRM
N#CCCCC(=O)[N-]S(=O)(=O)C[C@@H]1CCCO1	ZINC000813083369	624643726	/nfs/dbraw/zinc/64/37/26/624643726.db2.gz	NZVDZNVFDJUCNR-VIFPVBQESA-N	-1	0	260.315	0.305	20	30		CCEDRM
CNC(=O)C(C#N)=C([O-])c1ccc(C=NOC)cc1	ZINC000255078460	624675837	/nfs/dbraw/zinc/67/58/37/624675837.db2.gz	GXUNXPPSHRDBDV-NSHDSACASA-N	-1	0	259.265	0.735	20	30		CCEDRM
CCN(C[C@@H](C)C#N)S(=O)(=O)NCC[C@@H](C)C(=O)[O-]	ZINC000844785246	624706759	/nfs/dbraw/zinc/70/67/59/624706759.db2.gz	KNFBMRGMGOKOLC-VHSXEESVSA-N	-1	0	291.373	0.413	20	30		CCEDRM
O=C(CSc1n[nH]c(=O)[n-]1)NCC#C[C@@H]1CCCCO1	ZINC000891123961	624730976	/nfs/dbraw/zinc/73/09/76/624730976.db2.gz	ZBYQOIHRAZNXRD-VIFPVBQESA-N	-1	0	296.352	0.291	20	30		CCEDRM
CC(C)(C)[C@@H](C#N)[N-]S(=O)(=O)N=S(C)(C)=O	ZINC000903095343	634535709	/nfs/dbraw/zinc/53/57/09/634535709.db2.gz	VCSJFCXZXMSLFG-SSDOTTSWSA-N	-1	0	267.376	0.487	20	30		CCEDRM
CC#CCCNC(=O)N1CCSC[C@H]1C(=O)[O-]	ZINC000158555454	631549966	/nfs/dbraw/zinc/54/99/66/631549966.db2.gz	LZSNYTCTYMYUPW-VIFPVBQESA-N	-1	0	256.327	0.611	20	30		CCEDRM
C#CCN(C)S(=O)(=O)c1cc(C(=O)[O-])ccc1OC	ZINC000164450654	631835200	/nfs/dbraw/zinc/83/52/00/631835200.db2.gz	ORKIGYADLODWET-UHFFFAOYSA-N	-1	0	283.305	0.647	20	30		CCEDRM
C#C[C@@H](C)NS(=O)(=O)c1ccc(OCC(=O)[O-])cc1	ZINC000122976268	631888109	/nfs/dbraw/zinc/88/81/09/631888109.db2.gz	FRMNHVIGDIOEDO-SECBINFHSA-N	-1	0	283.305	0.450	20	30		CCEDRM
CS(=O)(=O)[N-]C(=O)COc1ccc(C(N)=O)cc1	ZINC000049135071	631904689	/nfs/dbraw/zinc/90/46/89/631904689.db2.gz	GWVSUKMGAAVRAG-UHFFFAOYSA-N	-1	0	272.282	0.080	20	30		CCEDRM
CCc1nnc(NCC(=O)[N-]OC)c(C#N)c1CC	ZINC000896196378	632212943	/nfs/dbraw/zinc/21/29/43/632212943.db2.gz	ZAORYANAFCBJHD-UHFFFAOYSA-N	-1	0	263.301	0.563	20	30		CCEDRM
CN(CC(=O)[N-]S(C)(=O)=O)C(=O)c1cccs1	ZINC000079731047	632810131	/nfs/dbraw/zinc/81/01/31/632810131.db2.gz	BAFFQSIVQONUAM-UHFFFAOYSA-N	-1	0	276.339	0.736	20	30		CCEDRM
O=C([O-])C#C[C@@H]1CCCN(S(=O)(=O)c2cccnc2)C1	ZINC000899927511	633923558	/nfs/dbraw/zinc/92/35/58/633923558.db2.gz	WNRDXYKWZWKXLS-NSHDSACASA-N	-1	0	294.332	0.570	20	30		CCEDRM
O=C([O-])C#C[C@@H]1CCCN(S(=O)(=O)N2CCCC2)C1	ZINC000899929800	633924328	/nfs/dbraw/zinc/92/43/28/633924328.db2.gz	JRUUXEJRIODWJL-NSHDSACASA-N	-1	0	286.353	0.127	20	30		CCEDRM
Cn1nc(C(=O)[O-])cc1C(=O)N1CC[C@](C)(C#N)C1	ZINC000902081093	634305708	/nfs/dbraw/zinc/30/57/08/634305708.db2.gz	RMBXOUBDOYQWJS-GFCCVEGCSA-N	-1	0	262.269	0.494	20	30		CCEDRM
CC(C)(C#N)CS(=O)(=O)N1CC(C)(C)[C@@H]1C(=O)[O-]	ZINC000905998465	634946211	/nfs/dbraw/zinc/94/62/11/634946211.db2.gz	YQFDDMHTOZPWFK-QMMMGPOBSA-N	-1	0	274.342	0.661	20	30		CCEDRM
O=C(C#CC1CC1)N1CCSC[C@H]1c1nnn[n-]1	ZINC000907480724	635142571	/nfs/dbraw/zinc/14/25/71/635142571.db2.gz	QPXLVXOUYOMCTF-VIFPVBQESA-N	-1	0	263.326	0.230	20	30		CCEDRM
C[C@@H]1CN(C(=O)C2(C#N)CCSCC2)C[C@@H](C(=O)[O-])O1	ZINC000907732291	635194730	/nfs/dbraw/zinc/19/47/30/635194730.db2.gz	PONQCEOCGFTUQO-ZJUUUORDSA-N	-1	0	298.364	0.724	20	30		CCEDRM
C#CCOc1ccc(C(=O)N2CC[C@](O)(C(=O)[O-])C2)cc1	ZINC000910525139	635791969	/nfs/dbraw/zinc/79/19/69/635791969.db2.gz	GTYRYQYZCGENDQ-OAHLLOKOSA-N	-1	0	289.287	0.360	20	30		CCEDRM
O=C([O-])C12CCC(C(=O)NCC#CCO)(CC1)CC2	ZINC000911401921	636254596	/nfs/dbraw/zinc/25/45/96/636254596.db2.gz	OWXRDQHFOOQEDM-UHFFFAOYSA-N	-1	0	265.309	0.524	20	30		CCEDRM
C=CC[C@H](CO)CNC(=O)CC[C@@H]1C[C@H](C(=O)[O-])CO1	ZINC000911650477	636333591	/nfs/dbraw/zinc/33/35/91/636333591.db2.gz	ARMRWZKAFAMHCN-SDDRHHMPSA-N	-1	0	285.340	0.557	20	30		CCEDRM
C#CCOCCC(=O)[N-]S(=O)(=O)c1ccccc1	ZINC000165176060	636896165	/nfs/dbraw/zinc/89/61/65/636896165.db2.gz	OQLNAPNQXLQNGP-UHFFFAOYSA-N	-1	0	267.306	0.531	20	30		CCEDRM
COCCNC(=O)C(C#N)=C([O-])c1cnc(C)s1	ZINC000171566458	637135105	/nfs/dbraw/zinc/13/51/05/637135105.db2.gz	HAWLREHCYXVYNN-QMMMGPOBSA-N	-1	0	267.310	0.537	20	30		CCEDRM
C=CCCOCCNC(=O)N1CCO[C@@H](CC(=O)[O-])C1	ZINC000231836249	637231110	/nfs/dbraw/zinc/23/11/10/637231110.db2.gz	SZDFYMRFXIWVKX-NSHDSACASA-N	-1	0	286.328	0.464	20	30		CCEDRM
N#CCCS(=O)(=O)[N-]C(=O)C[C@@H]1CC[C@H]2C[C@H]21	ZINC000835410605	637724079	/nfs/dbraw/zinc/72/40/79/637724079.db2.gz	WMVNCDQNLKBTJQ-LPEHRKFASA-N	-1	0	256.327	0.782	20	30		CCEDRM
CCCc1cc(C([O-])=C(C#N)C(=O)NCCCOC)n[nH]1	ZINC000916870109	637930666	/nfs/dbraw/zinc/93/06/66/637930666.db2.gz	FZHZQIXRKDZIKM-LLVKDONJSA-N	-1	0	292.339	0.837	20	30		CCEDRM
COCCC1(C(=O)[N-]S(=O)(=O)CCCC#N)CC1	ZINC000181278081	638329183	/nfs/dbraw/zinc/32/91/83/638329183.db2.gz	NDEOKEQXFYFDAK-UHFFFAOYSA-N	-1	0	274.342	0.553	20	30		CCEDRM
Cn1cccc1C(=O)[N-]S(=O)(=O)CCCC#N	ZINC000181277818	638329896	/nfs/dbraw/zinc/32/98/96/638329896.db2.gz	POJWPMLAQQFXDF-UHFFFAOYSA-N	-1	0	255.299	0.388	20	30		CCEDRM
COCc1ccc(C(=O)[N-]S(=O)(=O)CCCC#N)o1	ZINC000181299861	638334658	/nfs/dbraw/zinc/33/46/58/638334658.db2.gz	ITRCMYBIZGFHEM-UHFFFAOYSA-N	-1	0	286.309	0.789	20	30		CCEDRM
N#Cc1c(F)cccc1S(=O)(=O)N(CC(=O)[O-])C1CC1	ZINC000070393981	638482965	/nfs/dbraw/zinc/48/29/65/638482965.db2.gz	FOSMGFBDEDKSBG-UHFFFAOYSA-N	-1	0	298.295	0.935	20	30		CCEDRM
CCn1nc(C)cc1C(=O)[N-]S(=O)(=O)[C@@H](C)COC	ZINC000073839016	639836377	/nfs/dbraw/zinc/83/63/77/639836377.db2.gz	VZUAKPTYNZBPRN-VIFPVBQESA-N	-1	0	289.357	0.881	20	30		CCEDRM
N#C[C@@]1(C(=O)N2CCC[C@H](C(=O)[O-])C2)CCCOC1	ZINC000923042041	640007401	/nfs/dbraw/zinc/00/74/01/640007401.db2.gz	OMYCUMHJEOHJTL-GWCFXTLKSA-N	-1	0	266.297	0.630	20	30		CCEDRM
C[C@]1(C(=O)[O-])CCN(C(=O)[C@]2(C#N)CCCOC2)C1	ZINC000923064320	640012613	/nfs/dbraw/zinc/01/26/13/640012613.db2.gz	PFLNXWHIOYFFHN-STQMWFEESA-N	-1	0	266.297	0.630	20	30		CCEDRM
CC[C@](C)(C#N)C(=O)N1CCO[C@H](CC(=O)[O-])C1	ZINC000923063624	640013404	/nfs/dbraw/zinc/01/34/04/640013404.db2.gz	CAGYMAIMLDMGAA-BXKDBHETSA-N	-1	0	254.286	0.628	20	30		CCEDRM
N#C[C@]1(C(=O)N[C@H]2C[C@@H]3C[C@]3(C(=O)[O-])C2)CCCOC1	ZINC000923102048	640021860	/nfs/dbraw/zinc/02/18/60/640021860.db2.gz	UXSHIYAUCILQOV-QOBDMFJFSA-N	-1	0	278.308	0.676	20	30		CCEDRM
CC#CCS(=O)(=O)[N-]C(=O)C1(COC)CCCC1	ZINC000838870480	640278292	/nfs/dbraw/zinc/27/82/92/640278292.db2.gz	AHOWROSFDMTSGF-UHFFFAOYSA-N	-1	0	273.354	0.663	20	30		CCEDRM
Cc1[nH]c(C=NN2CCCNC2=O)cc1C(=O)[O-]	ZINC000800814857	640621562	/nfs/dbraw/zinc/62/15/62/640621562.db2.gz	BJPAYKIGQLQKTH-UHFFFAOYSA-N	-1	0	250.258	0.771	20	30		CCEDRM
Cc1nn2c([n-]nc2SCCO[C@H](C)C#N)nc1=O	ZINC000801657677	640663480	/nfs/dbraw/zinc/66/34/80/640663480.db2.gz	OMBUOMYRJMGBFB-ZCFIWIBFSA-N	-1	0	280.313	0.142	20	30		CCEDRM
N#Cc1cccc(S(=O)(=O)[N-]C(=O)C2=CCOCC2)c1	ZINC000802033725	640683758	/nfs/dbraw/zinc/68/37/58/640683758.db2.gz	LIQDDCBATSUYLS-UHFFFAOYSA-N	-1	0	292.316	0.710	20	30		CCEDRM
N#Cc1cccc(C(=O)[N-]S(=O)(=O)C[C@@H]2CCOC2)n1	ZINC000810643913	640942708	/nfs/dbraw/zinc/94/27/08/640942708.db2.gz	OJDVTOCJUQBDLM-SECBINFHSA-N	-1	0	295.320	0.049	20	30		CCEDRM
CC#CCS(=O)(=O)[N-]C(=O)C1(SC)CCC1	ZINC000810776146	640949387	/nfs/dbraw/zinc/94/93/87/640949387.db2.gz	HVPPACKNCLPBNU-UHFFFAOYSA-N	-1	0	261.368	0.741	20	30		CCEDRM
CC#CCS(=O)(=O)[N-]C(=O)C(C1CC1)C1CC1	ZINC000810775092	640949537	/nfs/dbraw/zinc/94/95/37/640949537.db2.gz	UVXGJDHAKAOPDE-UHFFFAOYSA-N	-1	0	255.339	0.892	20	30		CCEDRM
Cn1cnc2cc(C=Nn3c(=O)[n-][nH]c3=O)ccc21	ZINC000814233480	641062435	/nfs/dbraw/zinc/06/24/35/641062435.db2.gz	RQKOFVAADGKWSV-UHFFFAOYSA-N	-1	0	258.241	0.458	20	30		CCEDRM
C[C@@H]1C(=NN[C@@H]2CCS(=O)(=O)C2)CC[C@H]1CC(=O)[O-]	ZINC000814680177	641072790	/nfs/dbraw/zinc/07/27/90/641072790.db2.gz	DLKBDBGKJGOXKS-LPEHRKFASA-N	-1	0	288.369	0.640	20	30		CCEDRM
O=C([O-])c1cccc(C=NN2CC(=O)NC2=O)c1Cl	ZINC000814778255	641075096	/nfs/dbraw/zinc/07/50/96/641075096.db2.gz	XEYYDBMKESNEPS-UHFFFAOYSA-N	-1	0	281.655	0.924	20	30		CCEDRM
O=C([O-])C1CC(=NNC(=S)NCC(F)(F)F)C1	ZINC000814822151	641077228	/nfs/dbraw/zinc/07/72/28/641077228.db2.gz	SMWGEBTXAWIGIO-UHFFFAOYSA-N	-1	0	269.248	0.863	20	30		CCEDRM
C[C@@H]1CC(N=Nc2ccc(C(N)=O)nn2)CC[C@@H]1C(=O)[O-]	ZINC000814869639	641080043	/nfs/dbraw/zinc/08/00/43/641080043.db2.gz	AQSDLQWYBLQDJK-APPZFPTMSA-N	-1	0	291.311	0.864	20	30		CCEDRM
O=c1[n-][nH]c(=O)n1N=Cc1ccccc1-n1cncn1	ZINC000814940260	641083257	/nfs/dbraw/zinc/08/32/57/641083257.db2.gz	SIPLDADELPWPJP-UHFFFAOYSA-N	-1	0	271.240	0.152	20	30		CCEDRM
O=C([O-])CNN=C1CCOc2cc3c(cc21)OCO3	ZINC000814959239	641084717	/nfs/dbraw/zinc/08/47/17/641084717.db2.gz	WCAIKDNBWARICN-UHFFFAOYSA-N	-1	0	264.237	0.576	20	30		CCEDRM
COC(=O)CCn1nc(C)c(C=NNCC(=O)[O-])c1C	ZINC000814959253	641085103	/nfs/dbraw/zinc/08/51/03/641085103.db2.gz	WROPRFFZGAENLH-UHFFFAOYSA-N	-1	0	282.300	0.071	20	30		CCEDRM
COC(=O)COc1ccc(C=NNCC(=O)[O-])cc1	ZINC000814958614	641085120	/nfs/dbraw/zinc/08/51/20/641085120.db2.gz	GDSIMTQHGJGMPU-UHFFFAOYSA-N	-1	0	266.253	0.247	20	30		CCEDRM
Cc1cc(C#N)cnc1C(=O)[N-]S(=O)(=O)[C@H]1CCOC1	ZINC000815948449	641132159	/nfs/dbraw/zinc/13/21/59/641132159.db2.gz	KIXKKQFIXSNQDE-JTQLQIEISA-N	-1	0	295.320	0.110	20	30		CCEDRM
CC#CCS(=O)(=O)[N-]C(=O)c1sccc1F	ZINC000816056273	641138049	/nfs/dbraw/zinc/13/80/49/641138049.db2.gz	LIVNOHKWJGNGSG-UHFFFAOYSA-N	-1	0	261.299	0.970	20	30		CCEDRM
N#CC1(CS(=O)(=O)[N-]C(=O)/C=C/[C@@H]2CCCO2)CC1	ZINC000820595151	641519588	/nfs/dbraw/zinc/51/95/88/641519588.db2.gz	WCJCEOUHSKUSMC-FSIBCCDJSA-N	-1	0	284.337	0.471	20	30		CCEDRM
Cn1c([O-])c(C(=O)/C=C/c2ccsc2)c(=O)n(C)c1=O	ZINC000821012102	641555437	/nfs/dbraw/zinc/55/54/37/641555437.db2.gz	CSILMJSXFQCZAO-ONEGZZNKSA-N	-1	0	292.316	0.747	20	30		CCEDRM
N#CCCS(=O)(=O)[N-]C(=O)[C@@H]1CSCCS1	ZINC000821582312	641610377	/nfs/dbraw/zinc/61/03/77/641610377.db2.gz	JNAMCDCOCKIVAT-ZETCQYMHSA-N	-1	0	280.396	0.195	20	30		CCEDRM
N#CCCS(=O)(=O)[N-]C(=O)C1C[C@H]2CCC[C@@H](C1)C2=O	ZINC000821582620	641611630	/nfs/dbraw/zinc/61/16/30/641611630.db2.gz	RZOZCEFUZLPBLK-ZACCUICWSA-N	-1	0	298.364	0.741	20	30		CCEDRM
Cn1cncc1C(=O)[N-]S(=O)(=O)c1cccc(C#N)c1	ZINC000821620078	641613325	/nfs/dbraw/zinc/61/33/25/641613325.db2.gz	XKXBVSIHIWNLPJ-UHFFFAOYSA-N	-1	0	290.304	0.410	20	30		CCEDRM
C#C[C@@H](NC(=O)c1cccc(-n2[n-]nnc2=N)c1)C(C)C	ZINC000822666701	641692239	/nfs/dbraw/zinc/69/22/39/641692239.db2.gz	LNGIKDASOIBEFM-GFCCVEGCSA-N	-1	0	284.323	0.462	20	30		CCEDRM
C[C@]1(C(=O)[N-]Oc2cccc(C#N)c2)CCNC1=O	ZINC000825266063	641878295	/nfs/dbraw/zinc/87/82/95/641878295.db2.gz	BLULJPSLFVMLMF-ZDUSSCGKSA-N	-1	0	259.265	0.494	20	30		CCEDRM
C[C@@H]1CCC[C@@H](NC(=O)CN(CC#N)CC(=O)[O-])[C@@H]1C	ZINC000828240619	642075631	/nfs/dbraw/zinc/07/56/31/642075631.db2.gz	ZOENJKZAOAHJGU-IJLUTSLNSA-N	-1	0	281.356	0.837	20	30		CCEDRM
N#Cc1ccc2c(c1)CCC[C@H]2NC(=O)c1cc(=O)[nH][n-]1	ZINC000841466366	642819431	/nfs/dbraw/zinc/81/94/31/642819431.db2.gz	XTSLFWHFJJSPBH-GFCCVEGCSA-N	-1	0	282.303	0.928	20	30		CCEDRM
O=C([O-])c1cccc2c1CC(N=NC1=NCCN1)CC2	ZINC000841660555	642828412	/nfs/dbraw/zinc/82/84/12/642828412.db2.gz	RGUXYGRFBFIASZ-UHFFFAOYSA-N	-1	0	272.308	0.778	20	30		CCEDRM
C#CC[C@@H]1CCCN(C(=O)c2c[n-]n3c2nccc3=O)C1	ZINC000844004599	643142632	/nfs/dbraw/zinc/14/26/32/643142632.db2.gz	CWAMIRJLYFNFRR-LLVKDONJSA-N	-1	0	284.319	0.898	20	30		CCEDRM
N#Cc1cccc(CS(=O)(=O)[N-]C(=O)c2cocn2)c1	ZINC000105766042	643274678	/nfs/dbraw/zinc/27/46/78/643274678.db2.gz	YMKDBFWKUGKKRH-UHFFFAOYSA-N	-1	0	291.288	0.806	20	30		CCEDRM
C[C@H](CC(=O)[N-]S(=O)(=O)CCC#N)n1ccnc1	ZINC000845560144	643328471	/nfs/dbraw/zinc/32/84/71/643328471.db2.gz	KFYJMXFLRIMIJH-SECBINFHSA-N	-1	0	270.314	0.194	20	30		CCEDRM
N#CCCCCC(=O)[N-]S(=O)(=O)c1ccccn1	ZINC000847649483	643542008	/nfs/dbraw/zinc/54/20/08/643542008.db2.gz	NFTALRFGCFQZBX-UHFFFAOYSA-N	-1	0	267.310	0.970	20	30		CCEDRM
C[C@@H](CC#N)C(=O)[N-]S(=O)(=O)Cc1cccnc1	ZINC000850939343	643822463	/nfs/dbraw/zinc/82/24/63/643822463.db2.gz	SATGORWBDJMHNA-VIFPVBQESA-N	-1	0	267.310	0.577	20	30		CCEDRM
C[C@@H]1CCCCN1N=Cc1cn(CC(=O)[O-])nn1	ZINC000853378897	644102561	/nfs/dbraw/zinc/10/25/61/644102561.db2.gz	DWOLJFMEMTZOGK-SECBINFHSA-N	-1	0	251.290	0.571	20	30		CCEDRM
Cn1cc(C=NNCC(=O)[O-])c(Br)n1	ZINC000863117287	645060552	/nfs/dbraw/zinc/06/05/52/645060552.db2.gz	OOSJLJDBJKJFMQ-UHFFFAOYSA-N	-1	0	261.079	0.191	20	30		CCEDRM
C[C@@H](Cc1c[nH]cn1)C(=O)Nc1nc(C#N)c(C#N)[n-]1	ZINC000863858089	645138264	/nfs/dbraw/zinc/13/82/64/645138264.db2.gz	YTQIAVPXLXWWGH-ZETCQYMHSA-N	-1	0	269.268	0.693	20	30		CCEDRM
N#CCc1cccc(C(=O)NC[C@H]2CCO[C@H]2C(=O)[O-])c1	ZINC000864212061	645189130	/nfs/dbraw/zinc/18/91/30/645189130.db2.gz	SOLHIBMQDOZIPI-CHWSQXEVSA-N	-1	0	288.303	0.972	20	30		CCEDRM
C[C@@]1([N-]C(=O)C(F)(F)F)CCN(c2ncncc2C#N)C1	ZINC000866284836	645512792	/nfs/dbraw/zinc/51/27/92/645512792.db2.gz	UAQZYEBASSJORK-LLVKDONJSA-N	-1	0	299.256	0.996	20	30		CCEDRM
C[C@@]1([N-]C(=O)C(F)(F)F)CCN(c2cncc(C#N)n2)C1	ZINC000866283707	645513213	/nfs/dbraw/zinc/51/32/13/645513213.db2.gz	ZVISDBJEDRNEPD-LLVKDONJSA-N	-1	0	299.256	0.996	20	30		CCEDRM
C[C@]1([N-]C(=O)C(F)(F)F)CCN(c2cc(C#N)cnn2)C1	ZINC000866283697	645514254	/nfs/dbraw/zinc/51/42/54/645514254.db2.gz	ZPIXIYKUOISTEA-NSHDSACASA-N	-1	0	299.256	0.996	20	30		CCEDRM
O=S(=O)([N-]CC#CCO)c1ccc(Br)o1	ZINC000867467620	645617627	/nfs/dbraw/zinc/61/76/27/645617627.db2.gz	RPAMTQRBDZEOHK-UHFFFAOYSA-N	-1	0	294.126	0.316	20	30		CCEDRM
N#Cc1cnn(C(=O)c2cccc([N+](=O)[O-])c2[O-])c1N	ZINC000123267333	646017816	/nfs/dbraw/zinc/01/78/16/646017816.db2.gz	NSMOKGDLERZWQO-UHFFFAOYSA-N	-1	0	273.208	0.639	20	30		CCEDRM
N#Cc1cccc(O[N-]C(=O)[C@@]2(O)CCSC2)c1	ZINC000870692230	646018114	/nfs/dbraw/zinc/01/81/14/646018114.db2.gz	YYTIRPVWARQOPD-GFCCVEGCSA-N	-1	0	264.306	0.836	20	30		CCEDRM
N#Cc1cccc(O[N-]C(=O)[C@@H]2CC(=O)N(C3CC3)C2)c1	ZINC000870693941	646018777	/nfs/dbraw/zinc/01/87/77/646018777.db2.gz	ZKXUNUUQSRQLJU-LLVKDONJSA-N	-1	0	285.303	0.979	20	30		CCEDRM
CC#CC[C@H](NS(=O)(=O)CC[C@H]1CCOC1)C(=O)[O-]	ZINC000871652245	646162615	/nfs/dbraw/zinc/16/26/15/646162615.db2.gz	GXVAKYFTDYZANX-MNOVXSKESA-N	-1	0	289.353	0.199	20	30		CCEDRM
N#CC1CN(S(=O)(=O)c2cc(F)cc(C(=O)[O-])c2)C1	ZINC000871967493	646199758	/nfs/dbraw/zinc/19/97/58/646199758.db2.gz	SRQODOFOMYUKKR-UHFFFAOYSA-N	-1	0	284.268	0.668	20	30		CCEDRM
N#Cc1ccc(N2CCN(Cc3n[nH]c(=O)[n-]3)CC2)cc1	ZINC000879586633	647079152	/nfs/dbraw/zinc/07/91/52/647079152.db2.gz	QEMWQFCJWPRKPS-UHFFFAOYSA-N	-1	0	284.323	0.704	20	30		CCEDRM
C[C@@H](CCNS(=O)(=O)c1cccc(C#N)c1)C(=O)[O-]	ZINC000129253421	647341326	/nfs/dbraw/zinc/34/13/26/647341326.db2.gz	PVELLCQFRBJJDB-VIFPVBQESA-N	-1	0	282.321	0.947	20	30		CCEDRM
CCOCCCNC(=O)C(C#N)=C([O-])c1cccnc1	ZINC000193350478	649534881	/nfs/dbraw/zinc/53/48/81/649534881.db2.gz	HTVCWDVHIYJYNK-LBPRGKRZSA-N	-1	0	275.308	0.947	20	30		CCEDRM
Cn1cc(C(N)=O)cc1C(=O)[N-]S(=O)(=O)C1CCCC1	ZINC000088818511	649645105	/nfs/dbraw/zinc/64/51/05/649645105.db2.gz	SXWSYYOTDROOLX-UHFFFAOYSA-N	-1	0	299.352	0.701	20	30		CCEDRM
CCc1nn(C)cc1C(=O)[N-]S(=O)(=O)N1CCCC1	ZINC000092697032	649726090	/nfs/dbraw/zinc/72/60/90/649726090.db2.gz	JPFBTYSPAPLBLV-UHFFFAOYSA-N	-1	0	286.357	0.628	20	30		CCEDRM
N#Cc1ccccc1CS(=O)(=O)NCCOCC(=O)[O-]	ZINC000093228351	649733543	/nfs/dbraw/zinc/73/35/43/649733543.db2.gz	NQQKGNCPUPNUMO-UHFFFAOYSA-N	-1	0	298.320	0.079	20	30		CCEDRM
CC1=C(Oc2nc(Cl)nc(=O)[n-]2)C(=O)[C@H](C)O1	ZINC001230241327	805587906	/nfs/dbraw/zinc/58/79/06/805587906.db2.gz	BEBYAIGBTMKHME-VKHMYHEASA-N	-1	0	257.633	0.829	20	30		CCEDRM
N#Cc1cccc2c(OC(=O)[C@H](O)CC(=O)[O-])ncnc12	ZINC001231040302	805715433	/nfs/dbraw/zinc/71/54/33/805715433.db2.gz	MZTIRYVBKCQKJM-SECBINFHSA-N	-1	0	287.231	0.242	20	30		CCEDRM
Cc1oc(C)c(Oc2[nH]c(=O)nc3cn[n-]c32)c1O	ZINC001233940567	806151844	/nfs/dbraw/zinc/15/18/44/806151844.db2.gz	XSFMDRKHOFSFCW-SCSAIBSYSA-N	-1	0	262.225	0.244	20	30		CCEDRM
C#Cc1ccc(O[C@@H](COCC=C)CS(=O)(=O)[O-])nc1	ZINC001233965719	806159688	/nfs/dbraw/zinc/15/96/88/806159688.db2.gz	KSSKLHYSKBOLNI-LBPRGKRZSA-N	-1	0	297.332	0.901	20	30		CCEDRM
COC(=O)c1n[n-]c(C(=O)OC)c1O[C@@H](C)CS	ZINC001234194310	806201837	/nfs/dbraw/zinc/20/18/37/806201837.db2.gz	NVTQKOZAYBLWIB-YFKPBYRVSA-N	-1	0	274.298	0.680	20	30		CCEDRM
C#C[C@H](C)Oc1[n-]c(=O)nc2ccc(C(N)=O)cc21	ZINC001234520108	806267946	/nfs/dbraw/zinc/26/79/46/806267946.db2.gz	YZXSWNDASOJTGR-ZETCQYMHSA-N	-1	0	257.249	0.835	20	30		CCEDRM
Cn1c(=O)[n-]c(N2CCC23CCCC3)c(C#N)c1=O	ZINC001120857993	798950291	/nfs/dbraw/zinc/95/02/91/798950291.db2.gz	SHPPXKNNENXJQS-UHFFFAOYSA-N	-1	0	260.297	0.468	20	30		CCEDRM
C=C(C)Cn1c(Cc2nn[nH]n2)nnc1N1CCC[C@H]1C	ZINC001122441402	799235246	/nfs/dbraw/zinc/23/52/46/799235246.db2.gz	BYGCONPWUMZPDV-SNVBAGLBSA-N	-1	0	288.359	0.947	20	30		CCEDRM
N#CC(C(=O)NC1CCCC1)=C([O-])c1ccc(C(N)=O)o1	ZINC001122499963	799250025	/nfs/dbraw/zinc/25/00/25/799250025.db2.gz	QPXQOYQJSYBBAC-VIFPVBQESA-N	-1	0	289.291	0.760	20	30		CCEDRM
CC[C@@H](C#N)C(=O)N1CCC[C@@H](Cc2nnn[n-]2)C1	ZINC001123910725	799502236	/nfs/dbraw/zinc/50/22/36/799502236.db2.gz	VCBRNBPGHAAUKI-UWVGGRQHSA-N	-1	0	262.317	0.531	20	30		CCEDRM
N#Cc1ccc([O-])c(NC(=O)CS(=O)(=O)C2CC2)c1	ZINC001137934332	799695172	/nfs/dbraw/zinc/69/51/72/799695172.db2.gz	SBOSXQAIDVMPMF-UHFFFAOYSA-N	-1	0	280.305	0.780	20	30		CCEDRM
N#CC1(C(=O)NCc2nc(=O)o[n-]2)CCSCC1	ZINC001151977435	800476338	/nfs/dbraw/zinc/47/63/38/800476338.db2.gz	JJWBPQZXERWOQM-UHFFFAOYSA-N	-1	0	268.298	0.016	20	30		CCEDRM
N#CCNC(F)(F)c1cc(Cl)nnc1C(=O)[O-]	ZINC001155537450	801001482	/nfs/dbraw/zinc/00/14/82/801001482.db2.gz	MKEMWJJSICIPLV-UHFFFAOYSA-N	-1	0	262.603	0.991	20	30		CCEDRM
N#Cc1c[nH]c2ncnc(N[C@H]3SC(=O)[N-]C3=O)c12	ZINC001155837482	801062155	/nfs/dbraw/zinc/06/21/55/801062155.db2.gz	NMWVGCAXOYCPAC-VIFPVBQESA-N	-1	0	274.265	0.551	20	30		CCEDRM
N#Cc1c[nH]c2c1cccc2C(=O)NCc1nnn[n-]1	ZINC001157171528	801318660	/nfs/dbraw/zinc/31/86/60/801318660.db2.gz	LQENBCFVLCYJTR-UHFFFAOYSA-N	-1	0	267.252	0.483	20	30		CCEDRM
C=CCS(=O)(=O)[N-][C@@H](C(=O)OCC)c1cnccn1	ZINC001259934780	808809987	/nfs/dbraw/zinc/80/99/87/808809987.db2.gz	CZSJKOZKZFEIDK-SNVBAGLBSA-N	-1	0	285.325	0.186	20	30		CCEDRM
C#Cc1ccc(CNc2[n-]c(=O)n(C)c(=O)c2C#N)cc1	ZINC001163347358	802540664	/nfs/dbraw/zinc/54/06/64/802540664.db2.gz	ZUHNNADWSIUOJA-UHFFFAOYSA-N	-1	0	280.287	0.539	20	30		CCEDRM
N#Cc1ccnc(N[C@@H]2SC(=O)[N-]C2=O)c1[N+](=O)[O-]	ZINC001163667201	802586912	/nfs/dbraw/zinc/58/69/12/802586912.db2.gz	ZENPIMXHYOVIBN-MRVPVSSYSA-N	-1	0	279.237	0.582	20	30		CCEDRM
C=C(Br)CNC(=O)NC1(C(=O)[O-])CC1	ZINC000163555631	803171024	/nfs/dbraw/zinc/17/10/24/803171024.db2.gz	IGKJBRQDOKHSMF-UHFFFAOYSA-N	-1	0	263.091	0.811	20	30		CCEDRM
C[C@H](C#N)S(=O)(=O)[N-]c1ccc(C(N)=O)cc1	ZINC000088475034	803479861	/nfs/dbraw/zinc/47/98/61/803479861.db2.gz	WAWAZNAIAWCDIM-SSDOTTSWSA-N	-1	0	253.283	0.439	20	30		CCEDRM
Nc1nonc1C(=N[O-])Nc1ccc2[nH]c(=O)ccc2c1	ZINC001213766194	803702277	/nfs/dbraw/zinc/70/22/77/803702277.db2.gz	PDGZSTWNJVENFO-UHFFFAOYSA-N	-1	0	286.251	0.741	20	30		CCEDRM
C=C(Cl)CNS(=O)(=O)[C@H]1CCC[C@H]1C(=O)[O-]	ZINC001465107069	804085428	/nfs/dbraw/zinc/08/54/28/804085428.db2.gz	LIBDPZBEKGYVIX-SFYZADRCSA-N	-1	0	267.734	0.912	20	30		CCEDRM
N#Cc1cncc(COC(=O)[C@H](O)CCC(=O)[O-])c1	ZINC001224136268	805011688	/nfs/dbraw/zinc/01/16/88/805011688.db2.gz	FTVFQQPRVCCWAR-SNVBAGLBSA-N	-1	0	264.237	0.222	20	30		CCEDRM
C=CCOC[C@@H](CS(=O)(=O)[O-])OCCOCCOC	ZINC001224518080	805044163	/nfs/dbraw/zinc/04/41/63/805044163.db2.gz	HYIBETITPMXZMS-NSHDSACASA-N	-1	0	298.357	0.125	20	30		CCEDRM
C=CCOC[C@H](CS(=O)(=O)[O-])OCC(C)(OC)OC	ZINC001224678116	805069418	/nfs/dbraw/zinc/06/94/18/805069418.db2.gz	HQAMUUYGHJKNIC-SNVBAGLBSA-N	-1	0	298.357	0.471	20	30		CCEDRM
C=CCOC[C@H](CS(=O)(=O)[O-])Oc1ncccc1O	ZINC001225655549	805147669	/nfs/dbraw/zinc/14/76/69/805147669.db2.gz	WGDRJAUMJILDLN-SECBINFHSA-N	-1	0	289.309	0.625	20	30		CCEDRM
CC[C@H](C#Cc1ccccc1)Oc1c([O-])c(=O)c(=O)c1=O	ZINC001225831291	805168443	/nfs/dbraw/zinc/16/84/43/805168443.db2.gz	SOSXMTTYHDQBOP-LLVKDONJSA-N	-1	0	284.267	0.558	20	30		CCEDRM
O=C([O-])C[C@H](O)C(=O)Oc1cccc(/C=N/O)c1	ZINC001226115090	805193386	/nfs/dbraw/zinc/19/33/86/805193386.db2.gz	WOCFWFXMTFSASL-DAVUEJTQSA-N	-1	0	253.210	0.236	20	30		CCEDRM
Cc1cc(=O)[n-]c(O[C@@H]2C[C@@H]3[C@H]4O[C@H]4[C@H](C2)N3C)c1C#N	ZINC001226222463	805207196	/nfs/dbraw/zinc/20/71/96/805207196.db2.gz	CFHSTBBQRURMOC-LSVRBPJHSA-N	-1	0	287.319	0.959	20	30		CCEDRM
COc1ccc(C#N)c(OC(=O)[C@H](O)CC(=O)[O-])c1	ZINC001226791021	805282457	/nfs/dbraw/zinc/28/24/57/805282457.db2.gz	KKAWYFRIDJEDMC-SECBINFHSA-N	-1	0	265.221	0.308	20	30		CCEDRM
CC[C@@H](C#CC(=O)OC)Oc1[n-]c(=O)nc2nccnc21	ZINC001226988982	805303857	/nfs/dbraw/zinc/30/38/57/805303857.db2.gz	CTMOTIMQCBDJCF-QMMMGPOBSA-N	-1	0	288.263	0.459	20	30		CCEDRM
N#Cc1cc(F)cc(OC(=O)[C@H](O)CC(=O)[O-])c1	ZINC001229034485	805498521	/nfs/dbraw/zinc/49/85/21/805498521.db2.gz	FRSCLZIXTLQDKR-SECBINFHSA-N	-1	0	253.185	0.438	20	30		CCEDRM
C=CCCCNC(=S)N[C@H]1SC(=O)[N-]C1=O	ZINC001247776068	807489393	/nfs/dbraw/zinc/48/93/93/807489393.db2.gz	OYBCXCZNYFBXFJ-ZETCQYMHSA-N	-1	0	259.356	0.726	20	30		CCEDRM
Cc1nc(C#N)cnc1[N-]S(=O)(=O)C(F)(F)F	ZINC001252286645	807803693	/nfs/dbraw/zinc/80/36/93/807803693.db2.gz	RIIFOJDBWLXBJJ-UHFFFAOYSA-N	-1	0	266.204	0.918	20	30		CCEDRM
C=CCC[C@@H](O)CNc1ccc2c(c1)S(=O)(=O)[N-]C2=O	ZINC001252608946	807919146	/nfs/dbraw/zinc/91/91/46/807919146.db2.gz	LDROJXWONWSITA-SNVBAGLBSA-N	-1	0	296.348	0.858	20	30		CCEDRM
C#CCCCc1cn(CCOCCOCC(=O)[O-])nn1	ZINC001254090919	808180049	/nfs/dbraw/zinc/18/00/49/808180049.db2.gz	WOSBOLKYASMUAN-UHFFFAOYSA-N	-1	0	281.312	0.352	20	30		CCEDRM
C#CC[S@](=O)Cc1cn(-c2ccc(C(=O)[O-])cc2)nn1	ZINC001254098699	808181211	/nfs/dbraw/zinc/18/12/11/808181211.db2.gz	LVDZHWJSUPNSOM-FQEVSTJZSA-N	-1	0	289.316	0.847	20	30		CCEDRM
CC[C@@]1(C)NC(=O)N([N-]C(=O)c2ccc(C#N)cn2)C1=O	ZINC001255937689	808438898	/nfs/dbraw/zinc/43/88/98/808438898.db2.gz	KTCNXNBYRFBKHF-CYBMUJFWSA-N	-1	0	287.279	0.319	20	30		CCEDRM
C[C@@H](C(=O)[N-]OCc1cccnc1)n1cnc(C#N)n1	ZINC001256523757	808532514	/nfs/dbraw/zinc/53/25/14/808532514.db2.gz	RHCKMICZMIXVFO-VIFPVBQESA-N	-1	0	272.268	0.354	20	30		CCEDRM
C=CC[C@H](NC(=O)c1cnn2cccnc12)C(=O)[O-]	ZINC001256560850	808533712	/nfs/dbraw/zinc/53/37/12/808533712.db2.gz	WIGZEFYACVTRGB-VIFPVBQESA-N	-1	0	260.253	0.488	20	30		CCEDRM
N#Cc1ccnc([N-]S(=O)(=O)C2CCOCC2)c1	ZINC001259907600	808796870	/nfs/dbraw/zinc/79/68/70/808796870.db2.gz	STCJGQITUUWGOM-UHFFFAOYSA-N	-1	0	267.310	0.874	20	30		CCEDRM
Cc1ncc(C#N)cc1[N-]S(=O)(=O)c1ccn(C)n1	ZINC001259938247	808813791	/nfs/dbraw/zinc/81/37/91/808813791.db2.gz	GVPLDKUWFBUUHQ-UHFFFAOYSA-N	-1	0	277.309	0.796	20	30		CCEDRM
COCCS(=O)(=O)[N-]c1ccc(C#N)cc1C(=O)OC	ZINC001259971981	808832252	/nfs/dbraw/zinc/83/22/52/808832252.db2.gz	HCZRDXDHRCLXHI-UHFFFAOYSA-N	-1	0	298.320	0.733	20	30		CCEDRM
Cc1csc([N-]S(=O)(=O)CS(C)(=O)=O)c1C#N	ZINC001260583275	808867045	/nfs/dbraw/zinc/86/70/45/808867045.db2.gz	XFCDWLKRHSMTSA-UHFFFAOYSA-N	-1	0	294.379	0.672	20	30		CCEDRM
Cc1ncc(C#N)cc1[N-]S(=O)(=O)CS(C)(=O)=O	ZINC001260584590	808868251	/nfs/dbraw/zinc/86/82/51/808868251.db2.gz	NZRSHCYYALVWBQ-UHFFFAOYSA-N	-1	0	289.338	0.006	20	30		CCEDRM
CS(=O)(=O)CS(=O)(=O)[N-]c1ccc(O)cc1C#N	ZINC001260592875	808872414	/nfs/dbraw/zinc/87/24/14/808872414.db2.gz	QYVXHPKFNVYHPH-UHFFFAOYSA-N	-1	0	290.322	0.008	20	30		CCEDRM
C=C[C@@H]1OCC[C@H]1C(=O)[N-]OC(C)(C)C(=O)OCC	ZINC001261271035	808942773	/nfs/dbraw/zinc/94/27/73/808942773.db2.gz	SGJHWBSAVDIQSP-ZJUUUORDSA-N	-1	0	271.313	0.967	20	30		CCEDRM
C=CCN(CC(=O)[O-])C(=O)c1cc([C@H]2CCCN2C)[nH]n1	ZINC001262177496	809223479	/nfs/dbraw/zinc/22/34/79/809223479.db2.gz	WLLNGJVNNONTQA-GFCCVEGCSA-N	-1	0	292.339	0.889	20	30		CCEDRM
C#CCc1c(C)[n-]n(-c2nc3c(cnn3C)c(=O)[nH]2)c1=O	ZINC001262379808	809297882	/nfs/dbraw/zinc/29/78/82/809297882.db2.gz	MUVHOSYRAGQLFY-MRVPVSSYSA-N	-1	0	284.279	0.431	20	30		CCEDRM
C#CCCN(CCOC)c1nnc(-c2c[nH]oc2=O)n1C	ZINC001262892003	809420611	/nfs/dbraw/zinc/42/06/11/809420611.db2.gz	NCXRVYZJDQQZCY-UHFFFAOYSA-N	-1	0	291.311	0.652	20	30		CCEDRM
CNC(=O)C(C#N)=C([O-])c1cn(C)nc1-c1ccncc1	ZINC001263292401	809504004	/nfs/dbraw/zinc/50/40/04/809504004.db2.gz	FJPDDGJSZXLARP-SNVBAGLBSA-N	-1	0	283.291	0.551	20	30		CCEDRM
COc1ncc(C([O-])=C(C#N)c2ccncn2)cn1	ZINC001263379965	809515611	/nfs/dbraw/zinc/51/56/11/809515611.db2.gz	BZCWUHOGPGETAK-VIFPVBQESA-N	-1	0	255.237	0.765	20	30		CCEDRM
C=CCOC[C@@H](CS(=O)(=O)[O-])OC[C@@H]1CCCOC1	ZINC001224648662	815402468	/nfs/dbraw/zinc/40/24/68/815402468.db2.gz	CYNOUPVIGNMCGY-NEPJUHHUSA-N	-1	0	294.369	0.889	20	30		CCEDRM
C=CCC[C@@H](NC(=O)C1(OC)CCOCC1)C(=O)[O-]	ZINC000692739207	811891217	/nfs/dbraw/zinc/89/12/17/811891217.db2.gz	MXKXVHFQPIVUER-SNVBAGLBSA-N	-1	0	271.313	0.718	20	30		CCEDRM
C=CCOC[C@H](CS(=O)(=O)[O-])OCc1ccno1	ZINC001222730734	811984292	/nfs/dbraw/zinc/98/42/92/811984292.db2.gz	SXPYTMPYLYIZTJ-SNVBAGLBSA-N	-1	0	277.298	0.650	20	30		CCEDRM
C=CCOC[C@H](CS(=O)(=O)[O-])OCc1cncnc1	ZINC001223218512	812157276	/nfs/dbraw/zinc/15/72/76/812157276.db2.gz	ZGHDYIDVITWUBQ-LLVKDONJSA-N	-1	0	288.325	0.452	20	30		CCEDRM
C=C[C@@](C)(CC)C(=O)NCC1CN(Cc2n[nH]c(=O)[n-]2)C1	ZINC001268874811	813127217	/nfs/dbraw/zinc/12/72/17/813127217.db2.gz	YEGUAWVNJJQBKQ-AWEZNQCLSA-N	-1	0	293.371	0.661	20	30		CCEDRM
C=CCC(C)(C)C(=O)N1CC(n2cc(C(=O)[O-])nn2)C1	ZINC000909509785	814191367	/nfs/dbraw/zinc/19/13/67/814191367.db2.gz	YWYVNKSWRBTEEA-UHFFFAOYSA-N	-1	0	278.312	0.962	20	30		CCEDRM
N#Cc1cccc(F)c1OC(=O)[C@@H](O)CC(=O)[O-]	ZINC001227287568	814325780	/nfs/dbraw/zinc/32/57/80/814325780.db2.gz	KBRSKXDJNPKORZ-QMMMGPOBSA-N	-1	0	253.185	0.438	20	30		CCEDRM
CCC1=C(Oc2nnc(C(=O)OC)[n-]2)C(=O)[C@H](C)O1	ZINC001228311639	814670372	/nfs/dbraw/zinc/67/03/72/814670372.db2.gz	MEJCDLRYULLSKH-YFKPBYRVSA-N	-1	0	267.241	0.580	20	30		CCEDRM
CO[C@@]1(C(=O)[O-])CCN(c2ccc(C#N)c(C)n2)C1	ZINC000703760180	819323296	/nfs/dbraw/zinc/32/32/96/819323296.db2.gz	BLMRCDFSMKDKIS-ZDUSSCGKSA-N	-1	0	261.281	0.942	20	30		CCEDRM
Cc1nc(N2CCO[C@@](C)(C(=O)[O-])C2)ccc1C#N	ZINC000711576821	820053969	/nfs/dbraw/zinc/05/39/69/820053969.db2.gz	PSQLWLDDKWVGNP-CYBMUJFWSA-N	-1	0	261.281	0.942	20	30		CCEDRM
CC#CCS(=O)(=O)[N-]C(=O)c1cc(F)ncc1C	ZINC001119487960	821341759	/nfs/dbraw/zinc/34/17/59/821341759.db2.gz	RYWUOYGNQHLEMU-UHFFFAOYSA-N	-1	0	270.285	0.612	20	30		CCEDRM
COC(=O)n1ncc(C#N)c1[N-]c1nccc(C#N)n1	ZINC001169962785	836491011	/nfs/dbraw/zinc/49/10/11/836491011.db2.gz	YRUHDUWOTPXJII-UHFFFAOYSA-N	-1	0	269.224	0.775	20	30		CCEDRM
C=C(CC(=O)OCCCC)C(=O)NCS(=O)(=O)[O-]	ZINC001184313413	844201115	/nfs/dbraw/zinc/20/11/15/844201115.db2.gz	MKNJMWLBWQBDBH-UHFFFAOYSA-N	-1	0	279.314	0.238	20	30		CCEDRM
C=CCCC(=O)N1CCN(Cc2n[nH]c(=O)[n-]2)CC1	ZINC001112687638	836864470	/nfs/dbraw/zinc/86/44/70/836864470.db2.gz	KVWHPVFFERUPHU-UHFFFAOYSA-N	-1	0	265.317	0.121	20	30		CCEDRM
C=CCO[N-]C(=O)Cn1nnc(-c2ccccc2)n1	ZINC001158209049	837990046	/nfs/dbraw/zinc/99/00/46/837990046.db2.gz	YHKSEARHDSWTAE-UHFFFAOYSA-N	-1	0	259.269	0.574	20	30		CCEDRM
CSc1ncc([O-])c(C(=O)N(C)[C@H](C)C#N)n1	ZINC001185176892	844356292	/nfs/dbraw/zinc/35/62/92/844356292.db2.gz	ORTWXJQDYZHHSV-ZCFIWIBFSA-N	-1	0	252.299	0.888	20	30		CCEDRM
N#C[C@@H](NC(=O)C=C([O-])c1ccccc1Cl)C(N)=O	ZINC001185435042	844412621	/nfs/dbraw/zinc/41/26/21/844412621.db2.gz	DXZXYUXJQNBMMI-SECBINFHSA-N	-1	0	279.683	0.406	20	30		CCEDRM
N#C[C@@H](NC(=O)c1c[n-]n2c1nccc2=O)C1CC1	ZINC001136697485	839715969	/nfs/dbraw/zinc/71/59/69/839715969.db2.gz	SPQWCBXUWBCGBZ-SECBINFHSA-N	-1	0	257.253	0.055	20	30		CCEDRM
CO[C@@H]1CCC[C@@H]1C(=O)Nc1nc(C#N)c(C#N)[n-]1	ZINC001143815083	839882358	/nfs/dbraw/zinc/88/23/58/839882358.db2.gz	MGRQAPYTIFSEDU-OIBJUYFYSA-N	-1	0	259.269	0.907	20	30		CCEDRM
N#Cc1nc(NC(=O)c2ccn3nccc3n2)[n-]c1C#N	ZINC001143815242	839882125	/nfs/dbraw/zinc/88/21/25/839882125.db2.gz	QTJUCGMGQGKRIW-UHFFFAOYSA-N	-1	0	278.235	0.448	20	30		CCEDRM
C=CCCOCCNC(=O)N[C@H](CC=C)C(=O)[O-]	ZINC000231837678	840133760	/nfs/dbraw/zinc/13/37/60/840133760.db2.gz	QQZVDXQNMSMLLN-SNVBAGLBSA-N	-1	0	256.302	0.908	20	30		CCEDRM
CN(CC#N)S(=O)(=O)c1ccc(F)c(C(=O)[O-])c1	ZINC001186171530	844522030	/nfs/dbraw/zinc/52/20/30/844522030.db2.gz	ZAECTKUDLSPMLN-UHFFFAOYSA-N	-1	0	272.257	0.668	20	30		CCEDRM
COC(=O)n1ncc(C#N)c1[N-]C(=O)c1cc(OC)no1	ZINC001146942550	840420765	/nfs/dbraw/zinc/42/07/65/840420765.db2.gz	AYMPEEZEAJDQFD-UHFFFAOYSA-N	-1	0	291.223	0.618	20	30		CCEDRM
C#CCCCCC(=O)NC[C@H]1CCO[C@H]1C(=O)[O-]	ZINC000715103403	841255988	/nfs/dbraw/zinc/25/59/88/841255988.db2.gz	KJGONUUUAQIANZ-ZYHUDNBSSA-N	-1	0	253.298	0.786	20	30		CCEDRM
CCCCN(CC#N)C(=O)Cn1nn[n-]c1=S	ZINC001177738528	842663219	/nfs/dbraw/zinc/66/32/19/842663219.db2.gz	FDUNHERDWWUUCX-UHFFFAOYSA-N	-1	0	254.319	0.114	20	30		CCEDRM
Cc1cc(C#N)c(F)cc1NC(=O)Cn1nn[n-]c1=S	ZINC001177740938	842664792	/nfs/dbraw/zinc/66/47/92/842664792.db2.gz	LODRQUKUQCYDSQ-UHFFFAOYSA-N	-1	0	292.299	0.920	20	30		CCEDRM
N#Cc1ccc(NC(=O)Cn2nn[n-]c2=S)c(C#N)c1	ZINC001177740899	842665311	/nfs/dbraw/zinc/66/53/11/842665311.db2.gz	JXJFTVVXPMHKLX-UHFFFAOYSA-N	-1	0	285.292	0.344	20	30		CCEDRM
N#Cc1ccc(F)c(F)c1NC(=O)Cn1nn[n-]c1=S	ZINC001177740784	842665370	/nfs/dbraw/zinc/66/53/70/842665370.db2.gz	DEGKVTABWRLTNW-UHFFFAOYSA-N	-1	0	296.262	0.750	20	30		CCEDRM
N#Cc1c(N)nn(C(=O)C2(C(=O)[O-])CCCCC2)c1N	ZINC001180433943	843165293	/nfs/dbraw/zinc/16/52/93/843165293.db2.gz	ILUZEHISXWHTMK-UHFFFAOYSA-N	-1	0	277.284	0.594	20	30		CCEDRM
C#CC(C)(C)C(=O)Nc1cc(S(=O)(=O)NC)ccc1O	ZINC001182636673	843870868	/nfs/dbraw/zinc/87/08/68/843870868.db2.gz	SETOWCPADRTSIP-UHFFFAOYSA-N	-1	0	296.348	0.898	20	30		CCEDRM
C[C@H](C(=O)NCS(=O)(=O)[O-])c1ccc(C#N)cc1	ZINC001182800856	843917037	/nfs/dbraw/zinc/91/70/37/843917037.db2.gz	WKPVMFGZSUPLKO-QMMMGPOBSA-N	-1	0	268.294	0.623	20	30		CCEDRM
C=CCC1(S(=O)(=O)[N-][C@@H](CO)C(F)(F)F)CC1	ZINC001190832964	845515248	/nfs/dbraw/zinc/51/52/48/845515248.db2.gz	JOPGFPNVZOSCKK-ZETCQYMHSA-N	-1	0	273.276	0.938	20	30		CCEDRM
N#C[C@H]1CNCCN1C(=O)c1c(F)ccc(F)c1[O-]	ZINC001192693539	845893825	/nfs/dbraw/zinc/89/38/25/845893825.db2.gz	KRWVHUOCDHEERT-ZETCQYMHSA-N	-1	0	267.235	0.608	20	30		CCEDRM
Cc1nnc2cc([N-]S(=O)(=O)CC#N)ccn12	ZINC001192942860	845929837	/nfs/dbraw/zinc/92/98/37/845929837.db2.gz	DAIJQWKNFJUMBQ-UHFFFAOYSA-N	-1	0	251.271	0.303	20	30		CCEDRM
CCOC(=O)c1nc(C)oc1[N-]S(=O)(=O)CC#N	ZINC001192942868	845930023	/nfs/dbraw/zinc/93/00/23/845930023.db2.gz	DOJDQYVLTDKQHZ-UHFFFAOYSA-N	-1	0	273.270	0.425	20	30		CCEDRM
COc1cccc2ncnc([N-]S(=O)(=O)CC#N)c21	ZINC001192951717	845934589	/nfs/dbraw/zinc/93/45/89/845934589.db2.gz	OVQIDXIVDNJZPK-UHFFFAOYSA-N	-1	0	278.293	0.904	20	30		CCEDRM
CCOC(=O)c1occc1[N-]S(=O)(=O)CC#N	ZINC001192938088	845941515	/nfs/dbraw/zinc/94/15/15/845941515.db2.gz	AAFGEARHMNOYRP-UHFFFAOYSA-N	-1	0	258.255	0.722	20	30		CCEDRM
CN1CCN(c2ncccc2[N-]S(=O)(=O)CC#N)CC1	ZINC001192935527	845941989	/nfs/dbraw/zinc/94/19/89/845941989.db2.gz	WDWSMLZDAKBJSK-UHFFFAOYSA-N	-1	0	295.368	0.099	20	30		CCEDRM
COC(=O)c1ccc(OC)c([N-]S(=O)(=O)CC#N)c1	ZINC001192972287	845957617	/nfs/dbraw/zinc/95/76/17/845957617.db2.gz	QTRPMEHEMJCUSA-UHFFFAOYSA-N	-1	0	284.293	0.747	20	30		CCEDRM
C[C@@H](C#N)S(=O)(=O)[N-]c1nn(C)c2ncccc12	ZINC001193104330	845978176	/nfs/dbraw/zinc/97/81/76/845978176.db2.gz	HPLNFSVZXSETBU-ZETCQYMHSA-N	-1	0	265.298	0.622	20	30		CCEDRM
C[C@@H](C#N)S(=O)(=O)[N-]c1cncc(Br)n1	ZINC001193104712	845978257	/nfs/dbraw/zinc/97/82/57/845978257.db2.gz	MFORDLCOWUFEOO-YFKPBYRVSA-N	-1	0	291.130	0.893	20	30		CCEDRM
Cc1cc(C(N)=O)c([N-]S(=O)(=O)[C@@H](C)C#N)s1	ZINC001193104995	845979329	/nfs/dbraw/zinc/97/93/29/845979329.db2.gz	PZLYDWKVNMHWQX-LURJTMIESA-N	-1	0	273.339	0.809	20	30		CCEDRM
C[C@@H](C#N)S(=O)(=O)[N-]c1cc2n(n1)CC(C)(C)CO2	ZINC001193111434	845980909	/nfs/dbraw/zinc/98/09/09/845980909.db2.gz	GZFBUTJZEHPRKF-QMMMGPOBSA-N	-1	0	284.341	0.955	20	30		CCEDRM
COC(=O)c1ccc([N-]S(=O)(=O)[C@H](C)C#N)cc1O	ZINC001193146007	846004288	/nfs/dbraw/zinc/00/42/88/846004288.db2.gz	FPMIXPZCUMOKLV-SSDOTTSWSA-N	-1	0	284.293	0.833	20	30		CCEDRM
CNC(=O)c1ccc([N-]S(=O)(=O)[C@H](C)C#N)cc1F	ZINC001193148775	846004471	/nfs/dbraw/zinc/00/44/71/846004471.db2.gz	DZODTIGLKHBHQT-SSDOTTSWSA-N	-1	0	285.300	0.839	20	30		CCEDRM
C[C@H](C#N)S(=O)(=O)[N-]c1cc(F)cc2c1NC(=O)C2	ZINC001193148712	846004505	/nfs/dbraw/zinc/00/45/05/846004505.db2.gz	CTKWBKDYBWZFQA-ZCFIWIBFSA-N	-1	0	283.284	0.974	20	30		CCEDRM
COc1ccc(C(N)=O)cc1[N-]S(=O)(=O)[C@@H](C)C#N	ZINC001193151853	846006270	/nfs/dbraw/zinc/00/62/70/846006270.db2.gz	VDKAZTWEVACLOD-ZETCQYMHSA-N	-1	0	283.309	0.448	20	30		CCEDRM
C=C[C@@H]1C[C@@]1(NC(=O)c1cc(=O)[nH][n-]1)C(=O)OCC	ZINC001193476229	846088512	/nfs/dbraw/zinc/08/85/12/846088512.db2.gz	WHONYXPMPBANSE-KRTXAFLBSA-N	-1	0	265.269	0.353	20	30		CCEDRM
N#Cc1cc(C(=O)N2CCN3C(=O)OC[C@H]3C2)ccc1[O-]	ZINC001193503691	846099514	/nfs/dbraw/zinc/09/95/14/846099514.db2.gz	DUMYSZGGAOXBNV-LLVKDONJSA-N	-1	0	287.275	0.540	20	30		CCEDRM
C[C@@]1(CO)CCN(C(=O)c2ccc([O-])c(C#N)c2)C[C@@H]1O	ZINC001193505833	846101335	/nfs/dbraw/zinc/10/13/35/846101335.db2.gz	JGMOBMVCZGPWPU-ZFWWWQNUSA-N	-1	0	290.319	0.469	20	30		CCEDRM
N#Cc1cc(C(=O)N2CCC3(C2)OCCO3)ccc1[O-]	ZINC001193505452	846101491	/nfs/dbraw/zinc/10/14/91/846101491.db2.gz	ZAMBRTWPTQSVPL-UHFFFAOYSA-N	-1	0	274.276	0.853	20	30		CCEDRM
CC(C)(CNC(=O)c1ccc([O-])c(C#N)c1)C(N)=O	ZINC001193513212	846103668	/nfs/dbraw/zinc/10/36/68/846103668.db2.gz	ZPSUGHCCJFWVIR-UHFFFAOYSA-N	-1	0	261.281	0.505	20	30		CCEDRM
N#Cc1cccc(C(=O)N2CC[C@@H](O)[C@H](F)C2)c1[O-]	ZINC001193642566	846135005	/nfs/dbraw/zinc/13/50/05/846135005.db2.gz	JMFVWHVNIXDDOB-GHMZBOCLSA-N	-1	0	264.256	0.809	20	30		CCEDRM
N#C[C@H]1CNCCN1C(=O)c1ccc(F)c([O-])c1F	ZINC001193767902	846155495	/nfs/dbraw/zinc/15/54/95/846155495.db2.gz	AUDMTPYRUKQKSG-ZETCQYMHSA-N	-1	0	267.235	0.608	20	30		CCEDRM
COC(=O)c1cc(C(=O)Nc2cccc(C#N)n2)n[n-]1	ZINC001194278863	846245407	/nfs/dbraw/zinc/24/54/07/846245407.db2.gz	MNQZCOZATOFECB-UHFFFAOYSA-N	-1	0	271.236	0.715	20	30		CCEDRM
COC(=O)c1cc(C(=O)Nc2cn(C)nc2C#N)n[n-]1	ZINC001194282295	846262799	/nfs/dbraw/zinc/26/27/99/846262799.db2.gz	GWHMBBBKRUAKSV-UHFFFAOYSA-N	-1	0	274.240	0.054	20	30		CCEDRM
C=CC[C@H](NC(=O)[C@H]1COc2ccccc2O1)C(=O)[O-]	ZINC000159537303	846573329	/nfs/dbraw/zinc/57/33/29/846573329.db2.gz	KFNBGTZUJYMCRI-JOYOIKCWSA-N	-1	0	277.276	0.972	20	30		CCEDRM
N#Cc1ccc(C(=O)NC[C@H]2CCC(=O)N2)c([O-])c1	ZINC001195763669	846612127	/nfs/dbraw/zinc/61/21/27/846612127.db2.gz	AXPMGRAPQQUUFT-SECBINFHSA-N	-1	0	259.265	0.272	20	30		CCEDRM
COC(=O)[C@H](CCC(=O)[O-])NC(=O)c1ncccc1C#N	ZINC001196561015	846776843	/nfs/dbraw/zinc/77/68/43/846776843.db2.gz	DUCJQPVEIRMGJY-VIFPVBQESA-N	-1	0	291.263	0.089	20	30		CCEDRM
N#CC1CN(S(=O)(=O)c2ccccc2C(=O)[O-])C1	ZINC001198739947	847155518	/nfs/dbraw/zinc/15/55/18/847155518.db2.gz	SWPNWWOCXDFYTI-UHFFFAOYSA-N	-1	0	266.278	0.529	20	30		CCEDRM
CN1C[C@@H]2CN(C(=O)c3cccc(C#N)c3[O-])C[C@H](C1)O2	ZINC001275734303	848803037	/nfs/dbraw/zinc/80/30/37/848803037.db2.gz	BRNJSJALKSVTGS-TXEJJXNPSA-N	-1	0	287.319	0.419	20	30		CCEDRM
C#CC[N@H+](C)CCCNC(=O)N1CCSC[C@@H]1C(=O)[O-]	ZINC000380906687	849696138	/nfs/dbraw/zinc/69/61/38/849696138.db2.gz	IHTQWXXOEIKQPM-LLVKDONJSA-N	-1	0	299.396	0.153	20	30		CCEDRM
C#CC[S@@](=O)Cc1cn(-c2cncc(C(=O)[O-])c2)nn1	ZINC001254096461	852455197	/nfs/dbraw/zinc/45/51/97/852455197.db2.gz	WMCZINBEADZIJI-HXUWFJFHSA-N	-1	0	290.304	0.242	20	30		CCEDRM
C#CC[C@@H](NC(=O)CN(C)C(=O)c1cccs1)C(=O)[O-]	ZINC000149946037	854008781	/nfs/dbraw/zinc/00/87/81/854008781.db2.gz	VDHCFUKAVLILSA-SECBINFHSA-N	-1	0	294.332	0.413	20	30		CCEDRM
C#CC[C@H](NC(=O)CSc1nncn1C(C)C)C(=O)[O-]	ZINC000149908173	854008815	/nfs/dbraw/zinc/00/88/15/854008815.db2.gz	CMRVHNCXJHBSCL-VIFPVBQESA-N	-1	0	296.352	0.544	20	30		CCEDRM
CSc1[n-]c(=O)c(C(=O)NC[C@@H](C)O)cc1C#N	ZINC001116489726	855775984	/nfs/dbraw/zinc/77/59/84/855775984.db2.gz	UJJHTNBLYWCEOW-ZCFIWIBFSA-N	-1	0	267.310	0.491	20	30		CCEDRM
C=C[C@@H](COC)NC(=O)C(=O)[N-]OC1CCCCC1	ZINC001117543495	856009756	/nfs/dbraw/zinc/00/97/56/856009756.db2.gz	GTBFQEVUWYWUEP-JTQLQIEISA-N	-1	0	270.329	0.684	20	30		CCEDRM
CC1(C(=O)[O-])CCN(C(=O)C(=O)NCCCCC#N)CC1	ZINC001118191106	856193099	/nfs/dbraw/zinc/19/30/99/856193099.db2.gz	SWKVVYAVLVYYFI-UHFFFAOYSA-N	-1	0	295.339	0.510	20	30		CCEDRM
C=CCO[C@H]1CCN(C(=O)NC[C@@H](C)C(=O)[O-])C1	ZINC001118326528	856263410	/nfs/dbraw/zinc/26/34/10/856263410.db2.gz	VVQWTLNRNXTIAA-ZJUUUORDSA-N	-1	0	256.302	0.694	20	30		CCEDRM
C=CCO[C@@H]1CCN(C(=O)[C@H]2CC[C@H](C(=O)[O-])O2)C1	ZINC001119008308	856527841	/nfs/dbraw/zinc/52/78/41/856527841.db2.gz	NYEODNHNGLJDFH-GMTAPVOTSA-N	-1	0	269.297	0.422	20	30		CCEDRM
Cn1nc(C(=O)[O-])cc1CN1CC[C@@](F)(C#N)C1	ZINC001119097313	856557105	/nfs/dbraw/zinc/55/71/05/856557105.db2.gz	YGIDHISXDIJDQS-LLVKDONJSA-N	-1	0	252.249	0.556	20	30		CCEDRM
C#CC[C@@H](NC(=O)c1cnc(C)nc1C1CC1)C(=O)[O-]	ZINC001119645499	856806023	/nfs/dbraw/zinc/80/60/23/856806023.db2.gz	VCWJUBDREJZBEX-LLVKDONJSA-N	-1	0	273.292	0.869	20	30		CCEDRM
CC[C@@H](CC#N)NS(=O)(=O)C1(C(=O)[O-])CCC1	ZINC001595030864	979171190	/nfs/dbraw/zinc/17/11/90/979171190.db2.gz	YUTCSKSOFMFPIW-QMMMGPOBSA-N	-1	0	260.315	0.605	20	30		CCEDRM
N#CCCCC(=O)[N-]S(=O)(=O)C1CCOCC1	ZINC001324052849	912644038	/nfs/dbraw/zinc/64/40/38/912644038.db2.gz	CLHQCFNAXBUWEB-UHFFFAOYSA-N	-1	0	260.315	0.305	20	30		CCEDRM
CCc1ccc(C#CC(=O)NCc2nc(=O)o[n-]2)cc1	ZINC001324996526	913140598	/nfs/dbraw/zinc/14/05/98/913140598.db2.gz	OXQHTLSKZVJQNU-UHFFFAOYSA-N	-1	0	271.276	0.593	20	30		CCEDRM
CC#CCS(=O)(=O)[N-]C(=O)[C@@H]1CCC[C@@H](F)C1	ZINC001345658724	891455643	/nfs/dbraw/zinc/45/56/43/891455643.db2.gz	ZBKSDXONULYIJL-NXEZZACHSA-N	-1	0	261.318	0.984	20	30		CCEDRM
CCC1(NC(=O)CCn2cc(C#N)c(=O)[n-]c2=O)CC1	ZINC001362614627	893607302	/nfs/dbraw/zinc/60/73/02/893607302.db2.gz	NDOXASZITOOACJ-UHFFFAOYSA-N	-1	0	276.296	0.269	20	30		CCEDRM
C=C(C)CO[N-]C(=O)C(=O)Nc1ncncc1OC	ZINC001326483738	913980434	/nfs/dbraw/zinc/98/04/34/913980434.db2.gz	JWGMJTLQIBDDLW-UHFFFAOYSA-N	-1	0	266.257	0.048	20	30		CCEDRM
CSc1nccc([N-]S(=O)(=O)[C@@H](C)C#N)n1	ZINC001193106844	900031752	/nfs/dbraw/zinc/03/17/52/900031752.db2.gz	YOZSTMOROJTOLD-LURJTMIESA-N	-1	0	258.328	0.852	20	30		CCEDRM
CCOC(=O)c1ncsc1[N-]S(=O)(=O)[C@H](C)C#N	ZINC001193107679	900034329	/nfs/dbraw/zinc/03/43/29/900034329.db2.gz	ZSSHRAXSOCQWMZ-ZCFIWIBFSA-N	-1	0	289.338	0.974	20	30		CCEDRM
C[C@H](C#N)CNC(=O)c1cccc(-c2nc(=O)o[n-]2)c1	ZINC001411804987	901264794	/nfs/dbraw/zinc/26/47/94/901264794.db2.gz	WUJLPUCOUQGTMD-MRVPVSSYSA-N	-1	0	272.264	0.919	20	30		CCEDRM
CCC[C@@H](NC(=O)c1cc(C#N)ccn1)c1nnn[n-]1	ZINC001411855565	901292131	/nfs/dbraw/zinc/29/21/31/901292131.db2.gz	HWEOJOJNZNWUOE-SECBINFHSA-N	-1	0	271.284	0.738	20	30		CCEDRM
Cc1cc(C#N)c(=O)[n-]c1C(=O)N[C@@H](C)C[S@@](C)=O	ZINC001447627036	901295459	/nfs/dbraw/zinc/29/54/59/901295459.db2.gz	DMQSMHAXQVCWQC-WPCRTTGESA-N	-1	0	281.337	0.464	20	30		CCEDRM
Cc1cc(C#N)c(=O)[n-]c1C(=O)N1CCNC(=O)C1(C)C	ZINC001412495840	901770977	/nfs/dbraw/zinc/77/09/77/901770977.db2.gz	AKNPOJGFRHEXBG-UHFFFAOYSA-N	-1	0	288.307	0.318	20	30		CCEDRM
Cc1cc(CCNC(=O)c2[n-]c(=O)c(C#N)cc2C)nn1C	ZINC001412554050	901822688	/nfs/dbraw/zinc/82/26/88/901822688.db2.gz	RXSZKCFJNXITQI-UHFFFAOYSA-N	-1	0	299.334	0.982	20	30		CCEDRM
C=CCO[N-]C(=O)CNC(=O)Nc1cccc([N+](=O)[O-])c1	ZINC001297992350	901966011	/nfs/dbraw/zinc/96/60/11/901966011.db2.gz	XAIYDPHIQBKOCW-UHFFFAOYSA-N	-1	0	294.267	0.950	20	30		CCEDRM
COC[C@@H](NC(=O)c1cccc(CC#N)c1)c1nnn[n-]1	ZINC001413550891	903038084	/nfs/dbraw/zinc/03/80/84/903038084.db2.gz	GBOBEAPITLZUNH-LLVKDONJSA-N	-1	0	286.295	0.383	20	30		CCEDRM
Cc1n[nH]c(C(=O)NCCNC(=O)C#CC(C)(C)C)c1[O-]	ZINC001292643669	906313158	/nfs/dbraw/zinc/31/31/58/906313158.db2.gz	KLVKXPVWQYIMTO-UHFFFAOYSA-N	-1	0	292.339	0.319	20	30		CCEDRM
C=CCOC[C@H](NCc1cc(C)nn1C)C(=O)[O-]	ZINC001334778337	906372701	/nfs/dbraw/zinc/37/27/01/906372701.db2.gz	YWSXQJNVEFEJKX-NSHDSACASA-N	-1	0	253.302	0.474	20	30		CCEDRM
N#Cc1ccc([O-])c(NC(=O)C[C@@H]2CCNC2=O)c1	ZINC001295829061	906811482	/nfs/dbraw/zinc/81/14/82/906811482.db2.gz	XEBGHAKYHARBJG-VIFPVBQESA-N	-1	0	259.265	0.729	20	30		CCEDRM
C#CCO[C@H](C)C(=O)Nc1ccc([O-])c(S(N)(=O)=O)c1	ZINC001295841945	906813125	/nfs/dbraw/zinc/81/31/25/906813125.db2.gz	BHHHZDPKFQUYAY-MRVPVSSYSA-N	-1	0	298.320	0.016	20	30		CCEDRM
N#CC1(C(=O)NCCc2nc(=O)o[n-]2)CC2(CC2)C1	ZINC001297169094	907037174	/nfs/dbraw/zinc/03/71/74/907037174.db2.gz	MKKSHZUMRDUZRN-UHFFFAOYSA-N	-1	0	262.269	0.106	20	30		CCEDRM
Cn1c(=O)[n-]c(NC(C2CC2)C2CC2)c(C#N)c1=O	ZINC001337775728	921292812	/nfs/dbraw/zinc/29/28/12/921292812.db2.gz	JUMUTKPPSSZUGP-UHFFFAOYSA-N	-1	0	260.297	0.546	20	30		CCEDRM
C=CCO[N-]C(=O)COc1ccc(C(N)=O)cc1	ZINC001297991936	907135618	/nfs/dbraw/zinc/13/56/18/907135618.db2.gz	UOMGZWRISCYOSE-UHFFFAOYSA-N	-1	0	250.254	0.398	20	30		CCEDRM
Cc1cc(C#N)c(=O)[n-]c1C(=O)N1CCC[C@@H](C(N)=O)C1	ZINC001417597044	921439148	/nfs/dbraw/zinc/43/91/48/921439148.db2.gz	AULUWUVXQOLQRY-SECBINFHSA-N	-1	0	288.307	0.305	20	30		CCEDRM
Cc1nc2cc[n-]n2c(=O)c1CC(=O)NCCCC#N	ZINC001320079654	910452343	/nfs/dbraw/zinc/45/23/43/910452343.db2.gz	UQFFLBWBYZWMNR-UHFFFAOYSA-N	-1	0	273.296	0.294	20	30		CCEDRM
C=CCn1c(Cc2nn[nH]n2)nnc1N(CC)CC1CC1	ZINC001338930998	921605518	/nfs/dbraw/zinc/60/55/18/921605518.db2.gz	OUKAVJXIQBKOAY-UHFFFAOYSA-N	-1	0	288.359	0.804	20	30		CCEDRM
C=CC[C@H](NC(=O)CCc1cnn(C)c1)C(=O)[O-]	ZINC001321166577	911129756	/nfs/dbraw/zinc/12/97/56/911129756.db2.gz	FVNOHOJGHIZGJN-JTQLQIEISA-N	-1	0	251.286	0.498	20	30		CCEDRM
C#CCN(CC#N)C(=O)c1cc(C#N)c(SC)[n-]c1=O	ZINC001321200118	911154793	/nfs/dbraw/zinc/15/47/93/911154793.db2.gz	UGICHLPFDQGFMR-UHFFFAOYSA-N	-1	0	286.316	0.980	20	30		CCEDRM
C=CC[C@H](NC(=O)[C@H](NC(C)=O)C1CCCC1)C(=O)[O-]	ZINC001321202809	911159478	/nfs/dbraw/zinc/15/94/78/911159478.db2.gz	DXNUMFZXZSILMD-NWDGAFQWSA-N	-1	0	282.340	0.827	20	30		CCEDRM
C=CC[C@H](NC(=O)C1(S(C)(=O)=O)CCCC1)C(=O)[O-]	ZINC001321338894	911239673	/nfs/dbraw/zinc/23/96/73/911239673.db2.gz	KFQZZYZVNCCACC-VIFPVBQESA-N	-1	0	289.353	0.489	20	30		CCEDRM
C=CC[C@H](NC(=O)[C@@H](C)OC[C@H]1CCCO1)C(=O)[O-]	ZINC001321658120	911426934	/nfs/dbraw/zinc/42/69/34/911426934.db2.gz	OHPWXLUZLWEWMF-MXWKQRLJSA-N	-1	0	271.313	0.716	20	30		CCEDRM
C=CC[C@@H](NC(=O)c1c(C)nn2cccnc12)C(=O)[O-]	ZINC001321658028	911427669	/nfs/dbraw/zinc/42/76/69/911427669.db2.gz	MEQZTJPCGOSMQF-SECBINFHSA-N	-1	0	274.280	0.797	20	30		CCEDRM
Cc1cc(C#N)c(=O)[n-]c1C(=O)N1CCn2cncc2C1	ZINC001417888822	921686049	/nfs/dbraw/zinc/68/60/49/921686049.db2.gz	YHDKGYHLGLRUMU-UHFFFAOYSA-N	-1	0	283.291	0.820	20	30		CCEDRM
CSc1[n-]c(=O)c(C(=O)N(C)CCO)cc1C#N	ZINC001322613899	911886001	/nfs/dbraw/zinc/88/60/01/911886001.db2.gz	KYVMWUSAIMXJKU-UHFFFAOYSA-N	-1	0	267.310	0.445	20	30		CCEDRM
CC(N=NC(=O)C[n+]1ccccc1)=c1ccc(=C([O-])[O-])cc1	ZINC001323085845	912105761	/nfs/dbraw/zinc/10/57/61/912105761.db2.gz	OILCUEPLQZGXRS-UHFFFAOYSA-O	-1	0	298.322	0.963	20	30		CCEDRM
C=CC[C@@H](NC(=O)[C@@H]1CCc2cncn2C1)C(=O)[O-]	ZINC001339523086	921750198	/nfs/dbraw/zinc/75/01/98/921750198.db2.gz	GSJUCVFHEGZWTH-MWLCHTKSSA-N	-1	0	263.297	0.591	20	30		CCEDRM
C=CC[C@@H](NC(=O)Nc1cc(C)nn1C)C(=O)[O-]	ZINC001328451600	915204112	/nfs/dbraw/zinc/20/41/12/915204112.db2.gz	RFLXKNSSFYDFTE-MRVPVSSYSA-N	-1	0	252.274	0.879	20	30		CCEDRM
C=CCn1c(Cc2nn[nH]n2)nnc1N1CC[C@@H](C)[C@@H]1C	ZINC001339569427	921763739	/nfs/dbraw/zinc/76/37/39/921763739.db2.gz	BCDNPGRFHKGITP-ZJUUUORDSA-N	-1	0	288.359	0.803	20	30		CCEDRM
C=CC1(S(=O)(=O)[N-]C(=O)c2c(C)cnn2C)CC1	ZINC001329593136	916041932	/nfs/dbraw/zinc/04/19/32/916041932.db2.gz	JECLTYROVOKALW-UHFFFAOYSA-N	-1	0	269.326	0.507	20	30		CCEDRM
C=C(C)Cn1[n-]c(C)c([C@@H]2CCS(=O)(=O)C2)c1=O	ZINC001332221427	917963666	/nfs/dbraw/zinc/96/36/66/917963666.db2.gz	GZOFIFJLRRQMEX-GHMZBOCLSA-N	-1	0	270.354	0.832	20	30		CCEDRM
C=CC[C@@H](NC(=O)c1cncc(OCCOC)c1)C(=O)[O-]	ZINC001332613372	918310512	/nfs/dbraw/zinc/31/05/12/918310512.db2.gz	HAPQIFOSJVHBJE-GFCCVEGCSA-N	-1	0	294.307	0.866	20	30		CCEDRM
C#CCSCC(=O)[N-]S(=O)(=O)CCCCOC	ZINC001334249225	919454552	/nfs/dbraw/zinc/45/45/52/919454552.db2.gz	ZWIDMKCLDKOQEX-UHFFFAOYSA-N	-1	0	279.383	0.225	20	30		CCEDRM
C=CC[C@H](NC(=O)CCc1ccn(C)n1)C(=O)[O-]	ZINC001334981506	919881902	/nfs/dbraw/zinc/88/19/02/919881902.db2.gz	WQNRIPSOLHRYMR-JTQLQIEISA-N	-1	0	251.286	0.498	20	30		CCEDRM
C#CC[C@H](NC(=O)c1cccc(C[S@@](C)=O)c1)C(=O)[O-]	ZINC001334998502	919889216	/nfs/dbraw/zinc/88/92/16/919889216.db2.gz	RMUURWBBCOKTTM-FKIZINRSSA-N	-1	0	293.344	0.771	20	30		CCEDRM
C[C@H]1CSC[C@H]1Nc1[n-]c(=O)n(C)c(=O)c1C#N	ZINC001336636620	920892232	/nfs/dbraw/zinc/89/22/32/920892232.db2.gz	IPMOCRLNGVXSDO-POYBYMJQSA-N	-1	0	266.326	0.109	20	30		CCEDRM
Cn1c(=O)[n-]c(N[C@H]2CCC[C@@H](F)C2)c(C#N)c1=O	ZINC001336659851	920909624	/nfs/dbraw/zinc/90/96/24/920909624.db2.gz	FTXNZUMJOAFEJQ-SFYZADRCSA-N	-1	0	266.276	0.638	20	30		CCEDRM
C#C[C@@H]1CCCN(c2nc3c(nc([O-])n(C)c3=O)[nH]2)C1	ZINC001336683174	920925848	/nfs/dbraw/zinc/92/58/48/920925848.db2.gz	YQFRSKRNHSSUJB-MRVPVSSYSA-N	-1	0	273.296	0.212	20	30		CCEDRM
C=CCn1c(-c2cc(=O)[nH][n-]2)nnc1N1CCC(F)CC1	ZINC001340429681	922084265	/nfs/dbraw/zinc/08/42/65/922084265.db2.gz	NAGARCBTZHMFPO-UHFFFAOYSA-N	-1	0	292.318	0.626	20	30		CCEDRM
CCCn1cc(C([O-])=C(C#N)C(=O)NCCOC)c(C)n1	ZINC001341941143	922729350	/nfs/dbraw/zinc/72/93/50/922729350.db2.gz	YKRYVVFTVIKGKO-NSHDSACASA-N	-1	0	292.339	0.687	20	30		CCEDRM
CNC(=O)C(C#N)=C([O-])c1c[nH]c(Br)c1	ZINC001342567251	923006947	/nfs/dbraw/zinc/00/69/47/923006947.db2.gz	RZZLVZGZOMRDSQ-LURJTMIESA-N	-1	0	270.086	0.846	20	30		CCEDRM
C#C[C@@H](NC(=O)N(CCOC)CCC(=O)[O-])[C@@H]1CCCO1	ZINC001343040013	923178086	/nfs/dbraw/zinc/17/80/86/923178086.db2.gz	DBFONWYGRYHGJV-NEPJUHHUSA-N	-1	0	298.339	0.300	20	30		CCEDRM
CNC(=O)C(C#N)=C([O-])c1ccc(OCC2CC2)nc1	ZINC001343355728	923281802	/nfs/dbraw/zinc/28/18/02/923281802.db2.gz	UNERMINXHAIYOH-LLVKDONJSA-N	-1	0	273.292	0.939	20	30		CCEDRM
C=CCNC(=O)C(C#N)=C([O-])c1cnc(COC)s1	ZINC001343388261	923293285	/nfs/dbraw/zinc/29/32/85/923293285.db2.gz	ZPTBJAQYVRBDRE-QMMMGPOBSA-N	-1	0	279.321	0.914	20	30		CCEDRM
CC(C)(C)n1cnc(C([O-])=C(C#N)C(=O)NC2CC2)n1	ZINC001343387836	923294118	/nfs/dbraw/zinc/29/41/18/923294118.db2.gz	VFGYNLUXYPKWJN-VIFPVBQESA-N	-1	0	275.312	0.634	20	30		CCEDRM
COCCNC(=O)C(C#N)=C([O-])c1cc2n(n1)CCCC2	ZINC001343493473	923348124	/nfs/dbraw/zinc/34/81/24/923348124.db2.gz	YMGQCXLFIFVTDR-NSHDSACASA-N	-1	0	290.323	0.304	20	30		CCEDRM
Cn1ccnc1C([O-])=C(C#N)C(=O)CO[C@@H]1CCOC1	ZINC001344007527	923529610	/nfs/dbraw/zinc/52/96/10/923529610.db2.gz	ZOFZVHBEGOXGGF-NXEZZACHSA-N	-1	0	277.280	0.117	20	30		CCEDRM
CO[C@H](C(=O)C(C#N)=C([O-])c1nccn1C)[C@H]1CCOC1	ZINC001344059366	923544111	/nfs/dbraw/zinc/54/41/11/923544111.db2.gz	UFCFSVWUXGNQOJ-KWBADKCTSA-N	-1	0	291.307	0.363	20	30		CCEDRM
Cc1nn(C)cc1CC(=O)C(C#N)=C([O-])c1nccn1C	ZINC001344466922	923610425	/nfs/dbraw/zinc/61/04/25/923610425.db2.gz	RPXYPSNIGYWPIU-NSHDSACASA-N	-1	0	285.307	0.596	20	30		CCEDRM
C=C(C)CCC(=O)N[C@H](C)C(=O)N[C@@H](C)C(=O)[O-]	ZINC001345769240	923971195	/nfs/dbraw/zinc/97/11/95/923971195.db2.gz	PTGZJGMOMNVENA-BDAKNGLRSA-N	-1	0	256.302	0.437	20	30		CCEDRM
C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)c1c[n-]ncc1=O	ZINC001347060687	924360226	/nfs/dbraw/zinc/36/02/26/924360226.db2.gz	MEWWBCRUSSWSLS-SKDRFNHKSA-N	-1	0	263.297	0.893	20	30		CCEDRM
C#CCSCC(=O)N1CCC[C@H](Cc2nnn[n-]2)C1	ZINC001347659787	924504518	/nfs/dbraw/zinc/50/45/18/924504518.db2.gz	IHNLEHJPTGCKAX-SNVBAGLBSA-N	-1	0	279.369	0.347	20	30		CCEDRM
C#CCCS(=O)(=O)NCc1nc(C(F)F)no1	ZINC001348597496	924743400	/nfs/dbraw/zinc/74/34/00/924743400.db2.gz	UUVFMGKILSQYBE-UHFFFAOYSA-N	-1	0	265.241	0.450	20	30		CCEDRM
C=CCCO[C@H](C)C(=O)NC[C@@H](C(=O)[O-])[C@H]1CCOC1	ZINC001349983987	925110442	/nfs/dbraw/zinc/11/04/42/925110442.db2.gz	AWOUVDMDPHXYLJ-GRYCIOLGSA-N	-1	0	285.340	0.821	20	30		CCEDRM
Cc1cc(=O)c(C(=O)Nc2nc(C#N)c(C#N)[n-]2)c[nH]1	ZINC001350742922	925266509	/nfs/dbraw/zinc/26/65/09/925266509.db2.gz	DYAUZNCXKLKQQX-UHFFFAOYSA-N	-1	0	268.236	0.402	20	30		CCEDRM
C=C[C@@H](COC)NS(=O)(=O)c1cccc(CC(=O)[O-])c1	ZINC001352079987	925519283	/nfs/dbraw/zinc/51/92/83/925519283.db2.gz	BUPOSXXIALSNOR-NSHDSACASA-N	-1	0	299.348	0.793	20	30		CCEDRM
CCC(CC)[C@@H](O)CNc1[n-]c(=O)n(C)c(=O)c1C#N	ZINC001472698152	926125047	/nfs/dbraw/zinc/12/50/47/926125047.db2.gz	KONVTXHAILRMIY-JTQLQIEISA-N	-1	0	280.328	0.154	20	30		CCEDRM
C=CCn1c(-c2cc(=O)[nH][n-]2)nnc1N(CC)CCC	ZINC001356038037	926337982	/nfs/dbraw/zinc/33/79/82/926337982.db2.gz	IETQOBMCKMKDKG-UHFFFAOYSA-N	-1	0	276.344	0.924	20	30		CCEDRM
C#CCCCC(=O)NC[C@@H](C)NC(=O)c1[nH]nc(C)c1[O-]	ZINC001358122740	926642378	/nfs/dbraw/zinc/64/23/78/926642378.db2.gz	JVFDMOQRUZIJPH-SECBINFHSA-N	-1	0	292.339	0.462	20	30		CCEDRM
C[C@@]1(CO)CCC[N@@H+]1Cc1cc(=O)n2[n-]cc(C#N)c2n1	ZINC001413982960	926723073	/nfs/dbraw/zinc/72/30/73/926723073.db2.gz	ODSCCIYDIQRSSN-AWEZNQCLSA-N	-1	0	287.323	0.653	20	30		CCEDRM
CCC(CC)NC(=O)CCn1cc(C#N)c(=O)[n-]c1=O	ZINC001361590584	927175346	/nfs/dbraw/zinc/17/53/46/927175346.db2.gz	XGTUFXRUMSJAJP-UHFFFAOYSA-N	-1	0	278.312	0.515	20	30		CCEDRM
Cc1cc(C#N)c(=O)[n-]c1C(=O)N[C@@H](C)Cn1cncn1	ZINC001361877091	927414713	/nfs/dbraw/zinc/41/47/13/927414713.db2.gz	PQWCGAZHTUVQEE-VIFPVBQESA-N	-1	0	286.295	0.377	20	30		CCEDRM
CNC(=O)CCN(C)C(=O)c1[n-]c(=O)c(C#N)cc1C	ZINC001361908885	927439302	/nfs/dbraw/zinc/43/93/02/927439302.db2.gz	USWFKJHPRDMQPZ-UHFFFAOYSA-N	-1	0	276.296	0.175	20	30		CCEDRM
Cc1nc[nH]c1CNC(=O)c1[n-]c(=O)c(C#N)cc1C	ZINC001362043456	927550313	/nfs/dbraw/zinc/55/03/13/927550313.db2.gz	DNKRUPJCWJOXIL-UHFFFAOYSA-N	-1	0	271.280	0.929	20	30		CCEDRM
Cc1cc(C#N)c(=O)[n-]c1C(=O)N1CCC[C@H](CO)C1	ZINC001362044947	927551289	/nfs/dbraw/zinc/55/12/89/927551289.db2.gz	SBTVKDCFOJMQFP-JTQLQIEISA-N	-1	0	275.308	0.812	20	30		CCEDRM
CON1CCN(C(=O)c2[n-]c(=O)c(C#N)cc2C)CC1	ZINC001362657328	928314089	/nfs/dbraw/zinc/31/40/89/928314089.db2.gz	BNOCYXFWXIAVQH-UHFFFAOYSA-N	-1	0	276.296	0.287	20	30		CCEDRM
CCC(CC)(NC(=O)c1c[nH]c(C#N)c1)c1nnn[n-]1	ZINC001362785422	928485535	/nfs/dbraw/zinc/48/55/35/928485535.db2.gz	MDFJZCYFEOTRAG-UHFFFAOYSA-N	-1	0	273.300	0.845	20	30		CCEDRM
N#Cc1ccc(OCCn2c(=O)[n-]cc(C#N)c2=O)cc1	ZINC001363186993	928956603	/nfs/dbraw/zinc/95/66/03/928956603.db2.gz	VSRXBESEVKZBAB-UHFFFAOYSA-N	-1	0	282.259	0.359	20	30		CCEDRM
N#Cc1cc(C(=O)N2CCC(c3nnn[n-]3)CC2)co1	ZINC001363193604	928964972	/nfs/dbraw/zinc/96/49/72/928964972.db2.gz	BDWNJZXCVILVIU-UHFFFAOYSA-N	-1	0	272.268	0.684	20	30		CCEDRM
N#Cc1c[n-]n2c1nc(CN1CC[C@]13CCOC3)cc2=O	ZINC001363261697	929041280	/nfs/dbraw/zinc/04/12/80/929041280.db2.gz	HIXPFTAMOVTEJD-CQSZACIVSA-N	-1	0	285.307	0.671	20	30		CCEDRM
Cc1cc(C#N)c(=O)[n-]c1C(=O)N1C[C@@H](O)CC[C@H]1C	ZINC001363743627	929538747	/nfs/dbraw/zinc/53/87/47/929538747.db2.gz	VQLYBRGMMRZRBU-KOLCDFICSA-N	-1	0	275.308	0.953	20	30		CCEDRM
C[C@@]1(C#N)CCCN(C(=O)CSc2n[nH]c(=O)[n-]2)C1	ZINC001446653319	930453944	/nfs/dbraw/zinc/45/39/44/930453944.db2.gz	ISEHHALTBIQPPK-NSHDSACASA-N	-1	0	281.341	0.755	20	30		CCEDRM
Cc1cc(C#N)c(=O)[n-]c1C(=O)NC1COC(C)(C)OC1	ZINC001447514669	930649916	/nfs/dbraw/zinc/64/99/16/930649916.db2.gz	WHQWENWBKDBICI-UHFFFAOYSA-N	-1	0	291.307	0.849	20	30		CCEDRM
COC[C@@]1(C(=O)[O-])CCN(C(=O)CCCC#N)C1	ZINC001604526012	973476187	/nfs/dbraw/zinc/47/61/87/973476187.db2.gz	DPXSRONILDBWNO-GFCCVEGCSA-N	-1	0	254.286	0.630	20	30		CCEDRM
CNc1ccc(C#N)cc1NC(=O)[C@@H]1CC(C(=O)[O-])=NO1	ZINC001610960148	970808741	/nfs/dbraw/zinc/80/87/41/970808741.db2.gz	CKXBWCDEEPCFME-NSHDSACASA-N	-1	0	288.263	0.768	20	30		CCEDRM
N#Cc1c(N)c(NC(=O)COCC(=O)[O-])ccc1F	ZINC001601082327	970928307	/nfs/dbraw/zinc/92/83/07/970928307.db2.gz	KFYSPYZVBUWDLJ-UHFFFAOYSA-N	-1	0	267.216	0.319	20	30		CCEDRM
C#CC(=O)N[C@@H]1CCN([C@H](C(=O)[O-])c2ccccc2)C1=O	ZINC001602671642	971234252	/nfs/dbraw/zinc/23/42/52/971234252.db2.gz	DUWSZNMQYWQCFP-YPMHNXCESA-N	-1	0	286.287	0.163	20	30		CCEDRM
C#C[C@H](NC(=O)N[C@H](C)CC(=O)[O-])C1CCOCC1	ZINC001602671408	971234323	/nfs/dbraw/zinc/23/43/23/971234323.db2.gz	COBUILKFDZDZOT-KOLCDFICSA-N	-1	0	268.313	0.577	20	30		CCEDRM
C#C[C@H]1CCCCN1C(=O)C(=O)N1CCC(C(=O)[O-])CC1	ZINC001602673517	971240287	/nfs/dbraw/zinc/24/02/87/971240287.db2.gz	VYVHXFTXQYOJPE-LBPRGKRZSA-N	-1	0	292.335	0.324	20	30		CCEDRM
C#CC[C@H]1NC(=O)N(c2ccn(C(C)(C)C(=O)[O-])n2)C1=O	ZINC001602675098	971245639	/nfs/dbraw/zinc/24/56/39/971245639.db2.gz	KOBHGBGCRJYJJO-MRVPVSSYSA-N	-1	0	290.279	0.151	20	30		CCEDRM
C#CC[C@H](CCOC)NC(=O)N(CC#C)CC(=O)[O-]	ZINC001602675430	971248996	/nfs/dbraw/zinc/24/89/96/971248996.db2.gz	VQOMIZHKRUQREL-LLVKDONJSA-N	-1	0	266.297	0.144	20	30		CCEDRM
C#CC[C@@H](COC)OC(=O)c1cccn(CC(=O)[O-])c1=O	ZINC001602675441	971249947	/nfs/dbraw/zinc/24/99/47/971249947.db2.gz	VWQJOQXQXTVXBI-JTQLQIEISA-N	-1	0	293.275	0.128	20	30		CCEDRM
C#CC[C@H](CCOC)NC(=O)[C@H]1CO[C@@H](CCC(=O)[O-])C1	ZINC001602675545	971250863	/nfs/dbraw/zinc/25/08/63/971250863.db2.gz	ZDDCJYCBUQLUSA-UPJWGTAASA-N	-1	0	297.351	0.801	20	30		CCEDRM
C#CCN(CC(=O)[O-])C(=O)CCC(=O)N(CC)CC	ZINC001602682106	971265326	/nfs/dbraw/zinc/26/53/26/971265326.db2.gz	GFSNYCIOKTVTBA-UHFFFAOYSA-N	-1	0	268.313	0.181	20	30		CCEDRM
C#CCN(CC(=O)[O-])C(=O)N[C@@H]1CCC[C@@H](F)C1	ZINC001602684007	971277862	/nfs/dbraw/zinc/27/78/62/971277862.db2.gz	NRGYCXCJBZGRGN-NXEZZACHSA-N	-1	0	256.277	0.997	20	30		CCEDRM
C#CCN(CC(=O)[O-])C(=O)N[C@@H](C)CCC(=O)OC(C)C	ZINC001602684401	971281224	/nfs/dbraw/zinc/28/12/24/971281224.db2.gz	ZYBFDYFKJCYXTH-NSHDSACASA-N	-1	0	298.339	0.836	20	30		CCEDRM
C#CCN(CC(=O)[O-])C(=O)Nc1cc(CC)on1	ZINC001602688083	971288298	/nfs/dbraw/zinc/28/82/98/971288298.db2.gz	BKXUESVLGHEYOU-UHFFFAOYSA-N	-1	0	251.242	0.789	20	30		CCEDRM
C#CCN(CC(=O)[O-])C(=O)[C@@H]1CC[C@H]1C(=O)OC(C)(C)C	ZINC001602691253	971294453	/nfs/dbraw/zinc/29/44/53/971294453.db2.gz	DHZVWHIBXOFOSJ-GHMZBOCLSA-N	-1	0	295.335	0.901	20	30		CCEDRM
C#CCN(CC(=O)[O-])C(=O)c1cnc(NC)s1	ZINC001602692275	971302029	/nfs/dbraw/zinc/30/20/29/971302029.db2.gz	JGBHOSXMEDKNGZ-UHFFFAOYSA-N	-1	0	253.283	0.345	20	30		CCEDRM
C#CCN(CC(=O)[O-])C(=O)c1ccnc(-c2ccccn2)n1	ZINC001602692298	971302144	/nfs/dbraw/zinc/30/21/44/971302144.db2.gz	KNKDCOLHWOLCSX-UHFFFAOYSA-N	-1	0	296.286	0.699	20	30		CCEDRM
C#CCN(CC(=O)[O-])Cc1c(C)nc2sc(C)nn21	ZINC001602695554	971308651	/nfs/dbraw/zinc/30/86/51/971308651.db2.gz	JPCVABRVHWTVDT-UHFFFAOYSA-N	-1	0	278.337	0.927	20	30		CCEDRM
C#CCN(CC(=O)[O-])Cc1c2c(nn1C)CCCC2	ZINC001602695845	971312628	/nfs/dbraw/zinc/31/26/28/971312628.db2.gz	VQAGVPFCLJIJOJ-UHFFFAOYSA-N	-1	0	261.325	0.819	20	30		CCEDRM
C#CCN(CC(=O)[O-])c1nnnn1CCC(F)(F)F	ZINC001602700607	971318810	/nfs/dbraw/zinc/31/88/10/971318810.db2.gz	AUVCRBKNGINNKJ-UHFFFAOYSA-N	-1	0	277.206	0.150	20	30		CCEDRM
C#CCN(CC(=O)[O-])c1nnnn1C[C@@H]1C[C@H](C)O[C@@H]1C	ZINC001602700603	971319024	/nfs/dbraw/zinc/31/90/24/971319024.db2.gz	ATKLQNROTSVEQE-AXFHLTTASA-N	-1	0	293.327	0.011	20	30		CCEDRM
C#CCN(CC(=O)[O-])c1nnc([C@@H]2C[C@@H]2C#N)n1CC	ZINC001602701003	971325551	/nfs/dbraw/zinc/32/55/51/971325551.db2.gz	RHPNLOSXGOPPBJ-NXEZZACHSA-N	-1	0	273.296	0.449	20	30		CCEDRM
C#CCN(CC(=O)[O-])c1nnc([C@H]2C[C@@H]2C#N)n1CC	ZINC001602701006	971325562	/nfs/dbraw/zinc/32/55/62/971325562.db2.gz	RHPNLOSXGOPPBJ-ZJUUUORDSA-N	-1	0	273.296	0.449	20	30		CCEDRM
C=C(C)CONC(=O)N1CCO[C@](COC)(C(=O)[O-])C1	ZINC001602709505	971346906	/nfs/dbraw/zinc/34/69/06/971346906.db2.gz	DOZAVCIQCLWGAA-GFCCVEGCSA-N	-1	0	288.300	0.006	20	30		CCEDRM
C=C[C@H](O)c1nnc(N2CC[C@@H](C(=O)[O-])[C@@H](C)C2)n1C	ZINC001602717689	971370436	/nfs/dbraw/zinc/37/04/36/971370436.db2.gz	XZTJUSPBWAKPRJ-AEJSXWLSSA-N	-1	0	280.328	0.582	20	30		CCEDRM
C=CCCN(C)C(=O)c1[nH]c(=O)c(-c2nnn[n-]2)cc1C	ZINC001573335754	947486764	/nfs/dbraw/zinc/48/67/64/947486764.db2.gz	UJQUGLQFRLRCRV-UHFFFAOYSA-N	-1	0	288.311	0.924	20	30		CCEDRM
C=CCN(CCc1ccco1)[C@H]1CCN(CC(=O)[O-])C1=O	ZINC001602722815	971389844	/nfs/dbraw/zinc/38/98/44/971389844.db2.gz	RXDQPXVOYJDMSD-ZDUSSCGKSA-N	-1	0	292.335	0.996	20	30		CCEDRM
C=CCN1CC[C@@H](OC(=O)[C@H]2CC[C@@H](C(=O)[O-])C2)C1=O	ZINC001602723180	971394535	/nfs/dbraw/zinc/39/45/35/971394535.db2.gz	RTQNSQZTNPPFPZ-OUAUKWLOSA-N	-1	0	281.308	0.817	20	30		CCEDRM
C=CCSCCNC(=O)c1cccn(CC(=O)[O-])c1=O	ZINC001602728873	971397563	/nfs/dbraw/zinc/39/75/63/971397563.db2.gz	LZYSCCTZWQFPFD-UHFFFAOYSA-N	-1	0	296.348	0.582	20	30		CCEDRM
C=CCOCCCNC(=O)[C@H]1CCCN(CC(=O)[O-])C1=O	ZINC001602728924	971398246	/nfs/dbraw/zinc/39/82/46/971398246.db2.gz	OVNBQWMDQIWPPE-LLVKDONJSA-N	-1	0	298.339	0.019	20	30		CCEDRM
C=C[C@@H]1OCCC[C@H]1NC(=O)CSCC(=O)[O-]	ZINC001602731186	971412252	/nfs/dbraw/zinc/41/22/52/971412252.db2.gz	XGMFOPQTPGKGKW-BDAKNGLRSA-N	-1	0	259.327	0.654	20	30		CCEDRM
C=C[C@@H]1OCC[C@H]1NC(=O)N1C[C@H]2COC[C@@]2(C(=O)[O-])C1	ZINC001602731151	971412260	/nfs/dbraw/zinc/41/22/60/971412260.db2.gz	VCNWEPLGYCNFDC-MIJXAVMKSA-N	-1	0	296.323	0.073	20	30		CCEDRM
CC#CC[C@H](CO)NC(=O)[C@@H](C(=O)[O-])C1CCCC1	ZINC001602735354	971419343	/nfs/dbraw/zinc/41/93/43/971419343.db2.gz	ZAOKLMFFDSTGJO-NEPJUHHUSA-N	-1	0	267.325	0.768	20	30		CCEDRM
CC(C)N(CCC#N)C(=O)c1cn(CC(=O)[O-])nn1	ZINC000090719087	949130782	/nfs/dbraw/zinc/13/07/82/949130782.db2.gz	HJKNEITVFSJERY-UHFFFAOYSA-N	-1	0	265.273	0.127	20	30		CCEDRM
C#CCN(CC(=O)[O-])C(=O)c1ccc2nccnc2c1	ZINC000092479005	949150320	/nfs/dbraw/zinc/15/03/20/949150320.db2.gz	KDKJYHRQAJUHCU-UHFFFAOYSA-N	-1	0	269.260	0.790	20	30		CCEDRM
C#CCN(CC(=O)[O-])C(=O)NCc1cnc(C)s1	ZINC000092491031	949159892	/nfs/dbraw/zinc/15/98/92/949159892.db2.gz	RXAPKQDKMBXTKC-UHFFFAOYSA-N	-1	0	267.310	0.681	20	30		CCEDRM
C#CCN(CC(=O)[O-])C(=O)NC[C@@]1(C)CCCO1	ZINC000094807401	949185610	/nfs/dbraw/zinc/18/56/10/949185610.db2.gz	ZGOGDABGDSICBG-GFCCVEGCSA-N	-1	0	254.286	0.285	20	30		CCEDRM
C#CCN(CC(=O)[O-])C(=O)NCC1CCSCC1	ZINC000229349716	949653889	/nfs/dbraw/zinc/65/38/89/949653889.db2.gz	RRJXXVOLKJYJQB-UHFFFAOYSA-N	-1	0	270.354	0.859	20	30		CCEDRM
C#CCN(CC(=O)[O-])C(=O)N[C@@H](C)C1CCOCC1	ZINC000235495713	949866386	/nfs/dbraw/zinc/86/63/86/949866386.db2.gz	RSDXMHPUDYAPOO-JTQLQIEISA-N	-1	0	268.313	0.531	20	30		CCEDRM
CCN(CC(=O)NCc1cccc(C#N)c1)[C@H](C)C(=O)[O-]	ZINC001589718673	950380577	/nfs/dbraw/zinc/38/05/77/950380577.db2.gz	BSUKFFKVKKBUTG-LLVKDONJSA-N	-1	0	289.335	0.969	20	30		CCEDRM
CCN(C[C@@H](C)C#N)S(=O)(=O)N[C@H]1C[C@@H](C(=O)[O-])C1	ZINC001589719699	950405247	/nfs/dbraw/zinc/40/52/47/950405247.db2.gz	GZKPZEVDVQTSQB-LPEHRKFASA-N	-1	0	289.357	0.166	20	30		CCEDRM
C#CCN(CC(=O)[O-])C(=O)N[C@H]1CCS[C@@H]1C	ZINC000383869973	951261397	/nfs/dbraw/zinc/26/13/97/951261397.db2.gz	PPDUUKPZIDMOIA-BDAKNGLRSA-N	-1	0	256.327	0.610	20	30		CCEDRM
O=C([O-])Cn1cccc1C=NNCCCn1ccnc1	ZINC001595157781	952173115	/nfs/dbraw/zinc/17/31/15/952173115.db2.gz	BFHZAFITTGDTKZ-UHFFFAOYSA-N	-1	0	275.312	0.783	20	30		CCEDRM
CC[C@H](NS(=O)(=O)c1ccccc1CC#N)C(=O)[O-]	ZINC001593624742	953544542	/nfs/dbraw/zinc/54/45/42/953544542.db2.gz	MXVLHQTUKYOEMW-JTQLQIEISA-N	-1	0	282.321	0.894	20	30		CCEDRM
C[C@@H](C(=O)N1CCC[C@@H](C)[C@@H]1C(=O)[O-])n1cnc(C#N)n1	ZINC001589320450	953861835	/nfs/dbraw/zinc/86/18/35/953861835.db2.gz	LAOGNAVFCZNKQE-WCABBAIRSA-N	-1	0	291.311	0.422	20	30		CCEDRM
C[C@@H]1CN(C(=O)[C@@](C)(C#N)CC(=O)[O-])C[C@H](C)N1CC#N	ZINC001589366024	954194881	/nfs/dbraw/zinc/19/48/81/954194881.db2.gz	FOZMHEHXNWBEGY-UHIISALHSA-N	-1	0	292.339	0.436	20	30		CCEDRM
C[C@H]1O[C@@H](C)[C@@H](C)[C@H]1NC(=O)[C@@](C)(C#N)CC(=O)[O-]	ZINC001589416007	954549752	/nfs/dbraw/zinc/54/97/52/954549752.db2.gz	NIUXHDYJLYYDJT-OGNJEBSTSA-N	-1	0	268.313	0.919	20	30		CCEDRM
COC(=O)CCN(CC(=O)[O-])c1ncc(C#N)cc1F	ZINC001593843143	955381182	/nfs/dbraw/zinc/38/11/82/955381182.db2.gz	HVUQJCLCEBUMKN-UHFFFAOYSA-N	-1	0	281.243	0.546	20	30		CCEDRM
Cn1cc(C#N)cc1C(=O)N1CCC[C@@]1(C)C(=O)[O-]	ZINC001594525660	955498387	/nfs/dbraw/zinc/49/83/87/955498387.db2.gz	JZXCCNXZRZOYIN-ZDUSSCGKSA-N	-1	0	261.281	0.976	20	30		CCEDRM
Cn1nc(C(=O)[O-])cc1C(=O)NC1(C#N)CCSCC1	ZINC001594564931	955833006	/nfs/dbraw/zinc/83/30/06/955833006.db2.gz	LJSOKGRIEFSEID-UHFFFAOYSA-N	-1	0	294.336	0.637	20	30		CCEDRM
CO[C@H](C(=O)[O-])C(=O)[C@H](C#N)c1nc2ccccc2n1C	ZINC001593901417	955872338	/nfs/dbraw/zinc/87/23/38/955872338.db2.gz	ZSDAXBBPDCJCPK-UFBFGSQYSA-N	-1	0	287.275	0.849	20	30		CCEDRM
CO[C@](C)(C(=O)[O-])C(=O)NCc1ccc(C)c(C#N)c1	ZINC001593925873	956124874	/nfs/dbraw/zinc/12/48/74/956124874.db2.gz	MLKNQZDUMAHDFR-AWEZNQCLSA-N	-1	0	276.292	0.973	20	30		CCEDRM
N#CC1(CNC(=O)N2CCO[C@@H](C(=O)[O-])C2)CCC1	ZINC001594603380	956154909	/nfs/dbraw/zinc/15/49/09/956154909.db2.gz	BSXCFMKBVYPIBG-SECBINFHSA-N	-1	0	267.285	0.175	20	30		CCEDRM
N#CCC(=O)NC[C@H]1CCC2(CC(C(=O)[O-])C2)O1	ZINC001594606221	956178403	/nfs/dbraw/zinc/17/84/03/956178403.db2.gz	SLIMJSWDOGKXEZ-NBBOBHDQSA-N	-1	0	252.270	0.429	20	30		CCEDRM
CO[C@@](C)(C(=O)[O-])C(=O)OCC(=O)c1cccc(C#N)c1	ZINC001593930868	956178513	/nfs/dbraw/zinc/17/85/13/956178513.db2.gz	NHKKLRSSWZPWTP-AWEZNQCLSA-N	-1	0	291.259	0.774	20	30		CCEDRM
N#C[C@@H]1COCCN1C(=O)c1coc(/C=C/C(=O)[O-])c1	ZINC001594606369	956180775	/nfs/dbraw/zinc/18/07/75/956180775.db2.gz	VYFZLOXEMGKIKZ-TXXBHVLJSA-N	-1	0	276.248	0.742	20	30		CCEDRM
N#CCc1ccccc1CC(=O)OCC(=O)C(=O)[O-]	ZINC001594610760	956206638	/nfs/dbraw/zinc/20/66/38/956206638.db2.gz	DJNQTQVOKWSBSZ-UHFFFAOYSA-N	-1	0	261.233	0.492	20	30		CCEDRM
N#C[C@H]1CC[C@@H](COC(=O)COCC(=O)[O-])CC1	ZINC001594611063	956210697	/nfs/dbraw/zinc/21/06/97/956210697.db2.gz	MLWKBDJHZOGZNM-AOOOYVTPSA-N	-1	0	255.270	0.961	20	30		CCEDRM
N#CCc1ccsc1C(=O)N[C@]1(C(=O)[O-])CCOC1	ZINC001594611446	956214482	/nfs/dbraw/zinc/21/44/82/956214482.db2.gz	TYEFAGJPRLZFNP-GFCCVEGCSA-N	-1	0	280.305	0.788	20	30		CCEDRM
N#Cc1c(N2CC[C@H](C(=O)[O-])C2)cccc1S(N)(=O)=O	ZINC001594614089	956228080	/nfs/dbraw/zinc/22/80/80/956228080.db2.gz	IWNIXOJBYFLGDW-QMMMGPOBSA-N	-1	0	295.320	0.117	20	30		CCEDRM
N#Cc1cc(O)cc(C(=O)N2CCO[C@@H](C(=O)[O-])C2)c1	ZINC001594617100	956246542	/nfs/dbraw/zinc/24/65/42/956246542.db2.gz	CYBUWJSKJZLGJG-LLVKDONJSA-N	-1	0	276.248	0.189	20	30		CCEDRM
N#Cc1ccc(F)c(C(=O)N2CCOC[C@@H]2C(=O)[O-])c1	ZINC001594619612	956270092	/nfs/dbraw/zinc/27/00/92/956270092.db2.gz	KRGVGKRLBUKOCG-LLVKDONJSA-N	-1	0	278.239	0.623	20	30		CCEDRM
CC(C)[C@@H]([NH2+]CC(=O)NC1(C#N)CCC1)C(=O)[O-]	ZINC001603093251	972166218	/nfs/dbraw/zinc/16/62/18/972166218.db2.gz	PVEXNBYLYRKGTB-SNVBAGLBSA-N	-1	0	253.302	0.248	20	30		CCEDRM
N#Cc1ccc(NCCNC(=O)[C@H]2CC[C@H]2C(=O)[O-])nc1	ZINC001594622938	956294545	/nfs/dbraw/zinc/29/45/45/956294545.db2.gz	QKRLUQHVVBMFDI-WDEREUQCSA-N	-1	0	288.307	0.592	20	30		CCEDRM
C[C@@](O)(CNC(=O)c1ncc(C#N)cc1Cl)C(=O)[O-]	ZINC001589147209	956304886	/nfs/dbraw/zinc/30/48/86/956304886.db2.gz	QWMTTZFBUFDHIK-LLVKDONJSA-N	-1	0	283.671	0.172	20	30		CCEDRM
CO[C@@H]1CC[C@@H]1N(C)C(=O)[C@@](C)(C#N)CC(=O)[O-]	ZINC001593949843	956366296	/nfs/dbraw/zinc/36/62/96/956366296.db2.gz	SPOOMNPKGYZQSP-YGOYTEALSA-N	-1	0	254.286	0.627	20	30		CCEDRM
COC[C@@]1(C(=O)[O-])CN(Cc2nc(C#N)cs2)CCO1	ZINC001593982687	956723858	/nfs/dbraw/zinc/72/38/58/956723858.db2.gz	CQIZWUQZEUZNIX-GFCCVEGCSA-N	-1	0	297.336	0.317	20	30		CCEDRM
C[C@](C#N)(CC(=O)[O-])C(=O)NCC[N@@H+]1CCC(C)(C)C1	ZINC001589226497	956803583	/nfs/dbraw/zinc/80/35/83/956803583.db2.gz	XJQXMBRJVJTHDG-CQSZACIVSA-N	-1	0	281.356	0.839	20	30		CCEDRM
C[C@@H](CC#N)NS(=O)(=O)c1ccc(C(=O)[O-])cc1	ZINC000050391970	957490309	/nfs/dbraw/zinc/49/03/09/957490309.db2.gz	CVFUNCIKBWXVAL-QMMMGPOBSA-N	-1	0	268.294	0.965	20	30		CCEDRM
C[C@](CNC(=O)NCC#CCO)(C(=O)[O-])c1ccccc1	ZINC001603176840	972280905	/nfs/dbraw/zinc/28/09/05/972280905.db2.gz	XTVYQOVMSVYWCY-OAHLLOKOSA-N	-1	0	290.319	0.324	20	30		CCEDRM
Cc1cc(C(=O)Nc2ccn(CC(=O)[O-])n2)ncc1C#N	ZINC001594280923	957741601	/nfs/dbraw/zinc/74/16/01/957741601.db2.gz	YPIOWLFEUQUOQI-UHFFFAOYSA-N	-1	0	285.263	0.795	20	30		CCEDRM
C#C[C@H](NC(=O)N1CCO[C@H](C(=O)[O-])C1)c1ccccc1	ZINC001588385272	957970319	/nfs/dbraw/zinc/97/03/19/957970319.db2.gz	BYAJTLWOPQXJTQ-STQMWFEESA-N	-1	0	288.303	0.856	20	30		CCEDRM
C#C[C@H]1CCCN(C(=O)C(=O)N2CCC[C@H](C(=O)[O-])C2)C1	ZINC001588386683	957981683	/nfs/dbraw/zinc/98/16/83/957981683.db2.gz	UOLUYNPRVVWCPA-RYUDHWBXSA-N	-1	0	292.335	0.181	20	30		CCEDRM
C#C[C@H](C)N(C)C(=O)[C@H]1CO[C@@H](CCC(=O)[O-])C1	ZINC001588388756	958000259	/nfs/dbraw/zinc/00/02/59/958000259.db2.gz	ZOFODDKTYSCUHN-AXFHLTTASA-N	-1	0	253.298	0.736	20	30		CCEDRM
C#CC[C@@H](COC)NC(=O)N1CC[C@](COC)(C(=O)[O-])C1	ZINC001588389433	958008903	/nfs/dbraw/zinc/00/89/03/958008903.db2.gz	VEVGPPSDOCNQOF-FZMZJTMJSA-N	-1	0	298.339	0.157	20	30		CCEDRM
C[C@@H](CO)NN=Cc1ccc(N2CCC(C(=O)[O-])CC2)o1	ZINC001603202128	972310768	/nfs/dbraw/zinc/31/07/68/972310768.db2.gz	KWHALXSWBNVOLS-JTQLQIEISA-N	-1	0	295.339	0.885	20	30		CCEDRM
C#CCN(CC(=O)[O-])C(=O)[C@@H](CC(=C)C)NC(C)=O	ZINC001588397260	958053534	/nfs/dbraw/zinc/05/35/34/958053534.db2.gz	BOILIMOVFIVYTE-LLVKDONJSA-N	-1	0	266.297	0.004	20	30		CCEDRM
C#CCN(CC(=O)[O-])C(=O)C(=O)Nc1nc(CC)cs1	ZINC001588397252	958053618	/nfs/dbraw/zinc/05/36/18/958053618.db2.gz	BHXDZKBEGWTJKK-UHFFFAOYSA-N	-1	0	295.320	0.190	20	30		CCEDRM
C#CCN(CC(=O)[O-])C(=O)[C@@H](OC)C1CCCC1	ZINC001588397443	958057548	/nfs/dbraw/zinc/05/75/48/958057548.db2.gz	ILRJWOMJZOWLFA-LBPRGKRZSA-N	-1	0	253.298	0.738	20	30		CCEDRM
C#CCN(CC(=O)[O-])C(=O)[C@]1(C)COc2ccccc2O1	ZINC001588397534	958059110	/nfs/dbraw/zinc/05/91/10/958059110.db2.gz	LDXWNVACYSCAHI-HNNXBMFYSA-N	-1	0	289.287	0.763	20	30		CCEDRM
C#CCN(CC(=O)[O-])C(=O)[C@@H]1COc2ccc(O)cc2O1	ZINC001588399248	958070656	/nfs/dbraw/zinc/07/06/56/958070656.db2.gz	HVWXDGUDYIQEGQ-LBPRGKRZSA-N	-1	0	291.259	0.078	20	30		CCEDRM
C#CCN(CC(=O)[O-])C(=O)C[C@@H]1CCC(=O)[C@H]1C	ZINC001588402660	958094694	/nfs/dbraw/zinc/09/46/94/958094694.db2.gz	ZQFJYHKBRRTUQW-UWVGGRQHSA-N	-1	0	251.282	0.538	20	30		CCEDRM
C#CCN(CC(=O)[O-])C(=O)N[C@H](C)Cc1cccnc1	ZINC001588407124	958098053	/nfs/dbraw/zinc/09/80/53/958098053.db2.gz	HKJBDIAMVBXZIT-LLVKDONJSA-N	-1	0	275.308	0.742	20	30		CCEDRM
C[C@@H](Oc1ccccc1C#N)C(=O)NC[C@@](C)(O)C(=O)[O-]	ZINC000090275370	958107130	/nfs/dbraw/zinc/10/71/30/958107130.db2.gz	IVMPGUSZFDJZJG-YMTOWFKASA-N	-1	0	292.291	0.277	20	30		CCEDRM
C#CCN(CC(=O)[O-])C(=O)NCc1c(C)c(C)n[nH]c1=O	ZINC001588408948	958121594	/nfs/dbraw/zinc/12/15/94/958121594.db2.gz	NWVKBUKYKQKYTN-UHFFFAOYSA-N	-1	0	292.295	0.028	20	30		CCEDRM
C#CCN(CC(=O)[O-])C(=O)N[C@@H]1CCCC[C@H]1F	ZINC001588408937	958121640	/nfs/dbraw/zinc/12/16/40/958121640.db2.gz	NJQHQGQRWYZISN-NXEZZACHSA-N	-1	0	256.277	0.997	20	30		CCEDRM
C#CCN(CC(=O)[O-])C(=O)NC[C@H](CC(=O)OC)C1CC1	ZINC001588409095	958122937	/nfs/dbraw/zinc/12/29/37/958122937.db2.gz	BQQOLEUCWWVIID-NSHDSACASA-N	-1	0	296.323	0.305	20	30		CCEDRM
N#CCNS(=O)(=O)c1ccc(C(=O)[O-])cc1F	ZINC000092114555	958157770	/nfs/dbraw/zinc/15/77/70/958157770.db2.gz	QTWXMWUHUHKQNO-UHFFFAOYSA-N	-1	0	258.230	0.326	20	30		CCEDRM
C#CCN(CC(=O)[O-])C(=O)c1csc(COC)n1	ZINC001588418382	958177076	/nfs/dbraw/zinc/17/70/76/958177076.db2.gz	CYOYVUPXLANLCV-UHFFFAOYSA-N	-1	0	268.294	0.450	20	30		CCEDRM
C#CCN(CC(=O)[O-])C(=O)c1[nH]nc2c1cccc2OC	ZINC001588418391	958177243	/nfs/dbraw/zinc/17/72/43/958177243.db2.gz	DHORUQJWMPABOZ-UHFFFAOYSA-N	-1	0	287.275	0.732	20	30		CCEDRM
C#CCN(CC(=O)[O-])C(=O)c1csc2cncn21	ZINC001588418371	958177799	/nfs/dbraw/zinc/17/77/99/958177799.db2.gz	CPRCWRJTYKYQAP-UHFFFAOYSA-N	-1	0	263.278	0.556	20	30		CCEDRM
C#CCN(CC(=O)[O-])C(=O)c1ocnc1C(F)F	ZINC001588418480	958179528	/nfs/dbraw/zinc/17/95/28/958179528.db2.gz	IANYIEVQFGUUKZ-UHFFFAOYSA-N	-1	0	258.180	0.772	20	30		CCEDRM
C#CCN(CC(=O)[O-])C(=O)c1cnc(C(C)=O)s1	ZINC001588418527	958180876	/nfs/dbraw/zinc/18/08/76/958180876.db2.gz	KQKXQNCVSIUPHP-UHFFFAOYSA-N	-1	0	266.278	0.506	20	30		CCEDRM
C#CCN(CC(=O)[O-])C(=O)c1cn(-c2cccc(C)c2)nn1	ZINC001588418923	958187866	/nfs/dbraw/zinc/18/78/66/958187866.db2.gz	KXAKATPOCFFELV-UHFFFAOYSA-N	-1	0	298.302	0.736	20	30		CCEDRM
C#CCN(CC(=O)[O-])C(=O)c1cnn(-c2ccccn2)c1C	ZINC001588418973	958189795	/nfs/dbraw/zinc/18/97/95/958189795.db2.gz	YMDLZYMZLUFBHE-UHFFFAOYSA-N	-1	0	298.302	0.736	20	30		CCEDRM
C#CCN(CC(=O)[O-])C(=O)c1ccc2cccnn21	ZINC001588419177	958192289	/nfs/dbraw/zinc/19/22/89/958192289.db2.gz	WCUWCANZCPKUIA-UHFFFAOYSA-N	-1	0	257.249	0.494	20	30		CCEDRM
C#CCN(CC(=O)[O-])CC(=O)N1C[C@H](C)OC(C)(C)C1	ZINC001588420149	958199757	/nfs/dbraw/zinc/19/97/57/958199757.db2.gz	NMQZLQNAVWRQBI-NSHDSACASA-N	-1	0	282.340	0.032	20	30		CCEDRM
C#CCN(CC(=O)[O-])Cc1cc(OC)c(OC)cc1O	ZINC001588423651	958207852	/nfs/dbraw/zinc/20/78/52/958207852.db2.gz	BIAZQIMYVPYEKX-UHFFFAOYSA-N	-1	0	279.292	0.929	20	30		CCEDRM
C#CCN(CC(=O)[O-])Cc1ccc(-n2cncn2)cc1	ZINC001588424726	958218931	/nfs/dbraw/zinc/21/89/31/958218931.db2.gz	WWGZZJJXWRCWQT-UHFFFAOYSA-N	-1	0	270.292	0.787	20	30		CCEDRM
C#CCN(CC(=O)[O-])c1nnc([C@H](C)CO)n1CC(=C)C	ZINC001588426786	958233622	/nfs/dbraw/zinc/23/36/22/958233622.db2.gz	BUKGWOWADDFLDS-LLVKDONJSA-N	-1	0	292.339	0.474	20	30		CCEDRM
C#CCN(CC(=O)[O-])c1nnc(COC)n1CC1CC1	ZINC001588426945	958236590	/nfs/dbraw/zinc/23/65/90/958236590.db2.gz	HPYIBUDPXRHQKI-UHFFFAOYSA-N	-1	0	278.312	0.359	20	30		CCEDRM
C#CCN(CC(=O)[O-])c1nnc(Cc2cscn2)n1C	ZINC001588426921	958236961	/nfs/dbraw/zinc/23/69/61/958236961.db2.gz	GXWDIHLXQMLMRY-UHFFFAOYSA-N	-1	0	291.336	0.387	20	30		CCEDRM
C#CCN(CC(=O)[O-])c1nnc(C[C@H](O)C2CC2)n1CC	ZINC001588427069	958238493	/nfs/dbraw/zinc/23/84/93/958238493.db2.gz	LGRBFEDSEKWQMN-NSHDSACASA-N	-1	0	292.339	0.136	20	30		CCEDRM
C#CCN(CC(=O)[O-])c1nnc([C@@H](CC)OCC)n1C	ZINC001588427157	958241117	/nfs/dbraw/zinc/24/11/17/958241117.db2.gz	OQKDAFDASSGUSH-SNVBAGLBSA-N	-1	0	280.328	0.827	20	30		CCEDRM
C#CCN(CC(=O)[O-])c1nnc([C@@H](CC)[C@@H](C)O)n1C	ZINC001588427456	958246461	/nfs/dbraw/zinc/24/64/61/958246461.db2.gz	YPBDYPOWJVJXQT-ZJUUUORDSA-N	-1	0	280.328	0.214	20	30		CCEDRM
C#CCN(CC)C(=O)C(=O)Nc1cccnc1C(=O)[O-]	ZINC001588432378	958281313	/nfs/dbraw/zinc/28/13/13/958281313.db2.gz	PADXTVVWQKUQAO-UHFFFAOYSA-N	-1	0	275.264	0.200	20	30		CCEDRM
C#CCn1cc(CNC(=O)[C@@H](C(=O)[O-])C(C)(C)C)cn1	ZINC001588433317	958294393	/nfs/dbraw/zinc/29/43/93/958294393.db2.gz	OYJNALKWZSOXEC-NSHDSACASA-N	-1	0	277.324	0.879	20	30		CCEDRM
COc1ccc(CON2C[C@H](C(=O)[O-])CC2=O)cc1C#N	ZINC001594095725	958397762	/nfs/dbraw/zinc/39/77/62/958397762.db2.gz	CBULBDXTINNIJW-LLVKDONJSA-N	-1	0	290.275	0.932	20	30		CCEDRM
C=CCN1CC[C@@H]([N@H+](C)CCCCC(=O)[O-])C1=O	ZINC001588463897	958486538	/nfs/dbraw/zinc/48/65/38/958486538.db2.gz	AQDJUAVZCPWAIC-LLVKDONJSA-N	-1	0	254.330	0.960	20	30		CCEDRM
C=CCNC(=O)NC(=O)[C@@H](C)OC(=O)[C@H](C(=O)[O-])C1CC1	ZINC001588465470	958503359	/nfs/dbraw/zinc/50/33/59/958503359.db2.gz	LGRMVQWVYUFDON-APPZFPTMSA-N	-1	0	298.295	0.041	20	30		CCEDRM
C=CCN1CC[C@@H](OC(=O)[C@@H](C(=O)[O-])C2CC2)C1=O	ZINC001588465650	958507186	/nfs/dbraw/zinc/50/71/86/958507186.db2.gz	VYXZHZUFJDGOTC-NXEZZACHSA-N	-1	0	267.281	0.427	20	30		CCEDRM
C=CCS(=O)(=O)CCNC(=O)[C@H](C(=O)[O-])C(C)(C)C	ZINC001588469602	958518778	/nfs/dbraw/zinc/51/87/78/958518778.db2.gz	MKHPIAQZMJQRIW-SECBINFHSA-N	-1	0	291.369	0.450	20	30		CCEDRM
C=C(CC)CN1CCS(=O)(=O)C[C@@H]1CC(=O)[O-]	ZINC000124788105	958545296	/nfs/dbraw/zinc/54/52/96/958545296.db2.gz	ZPTUKRSEKHTTGP-JTQLQIEISA-N	-1	0	261.343	0.526	20	30		CCEDRM
C=CCn1c(CCOC)nnc1N1CCC[C@H](C(=O)[O-])C1	ZINC001588473089	958550502	/nfs/dbraw/zinc/55/05/02/958550502.db2.gz	XNSIIXXZJQFTJN-NSHDSACASA-N	-1	0	294.355	0.954	20	30		CCEDRM
C=CCn1c([C@@H](C)O)nnc1N1CCC(C(=O)[O-])CC1	ZINC001588474730	958558867	/nfs/dbraw/zinc/55/88/67/958558867.db2.gz	NXBKSLCHYFKRSI-SECBINFHSA-N	-1	0	280.328	0.818	20	30		CCEDRM
C[C@](C#N)(CC(=O)[O-])C(=O)NCCCOCC1CC1	ZINC001573362351	958598008	/nfs/dbraw/zinc/59/80/08/958598008.db2.gz	AEDLOUSLTXBIIV-CYBMUJFWSA-N	-1	0	268.313	0.924	20	30		CCEDRM
C[C@H](C#N)CN(C(=O)[C@H]1CC(C(=O)[O-])=NO1)C1CC1	ZINC001573362720	958601739	/nfs/dbraw/zinc/60/17/39/958601739.db2.gz	FFJZVTREWDBNPM-GMSGAONNSA-N	-1	0	265.269	0.367	20	30		CCEDRM
C#CC[C@@H](NS(=O)(=O)c1cccs1)C(=O)[O-]	ZINC000127523981	958615549	/nfs/dbraw/zinc/61/55/49/958615549.db2.gz	WAKCLRSXAVSRIZ-SSDOTTSWSA-N	-1	0	259.308	0.503	20	30		CCEDRM
C[C@H](C(=O)[O-])N(c1cnc(C#N)c(C#N)n1)C1CC1	ZINC001573381041	958659224	/nfs/dbraw/zinc/65/92/24/958659224.db2.gz	APWNGFXVSGFHJX-SSDOTTSWSA-N	-1	0	257.253	0.662	20	30		CCEDRM
COc1cccc(O)c1/C=N/CCOCC(=O)[O-]	ZINC001594131934	958686038	/nfs/dbraw/zinc/68/60/38/958686038.db2.gz	XKZVRGXPEHVPRF-NTUHNPAUSA-N	-1	0	253.254	0.921	20	30		CCEDRM
C[C@](C#N)(CC(=O)[O-])C(=O)N[C@@H]1CCN(CC(F)F)C1	ZINC001588538015	958937272	/nfs/dbraw/zinc/93/72/72/958937272.db2.gz	CBFHINJHEPXKKQ-PRHODGIISA-N	-1	0	289.282	0.447	20	30		CCEDRM
C[C@@](C#N)(CC(=O)[O-])C(=O)N[C@H]1COC2(CCC2)C1	ZINC001588538864	958945694	/nfs/dbraw/zinc/94/56/94/958945694.db2.gz	ORNRVOIBKQJCDE-SKDRFNHKSA-N	-1	0	266.297	0.819	20	30		CCEDRM
C[C@@](C#N)(CC(=O)[O-])C(=O)N[C@@H]1CCCC[C@H]1O	ZINC001588541907	958967226	/nfs/dbraw/zinc/96/72/26/958967226.db2.gz	OEYANBNLSGWDES-LNLATYFQSA-N	-1	0	254.286	0.411	20	30		CCEDRM
C[C@@H](C#N)OCCn1cc(CN2CCC[C@H]2C(=O)[O-])nn1	ZINC001588542928	958974646	/nfs/dbraw/zinc/97/46/46/958974646.db2.gz	FPNDJWPXSCAFSL-JQWIXIFHSA-N	-1	0	293.327	0.256	20	30		CCEDRM
C[C@@H](C#N)N(C)C(=O)C1(C(=O)[O-])CCSCC1	ZINC001588543419	958977949	/nfs/dbraw/zinc/97/79/49/958977949.db2.gz	LLWDXMAKWYTGMW-QMMMGPOBSA-N	-1	0	256.327	0.955	20	30		CCEDRM
C[C@@H](C#N)OCCOC(=O)[C@@]1(C(=O)[O-])CC1(C)C	ZINC001588543657	958982366	/nfs/dbraw/zinc/98/23/66/958982366.db2.gz	PCHONVLJQKLKBN-UFBFGSQYSA-N	-1	0	255.270	0.959	20	30		CCEDRM
C[C@@H](C#N)N(C(=O)[C@H]1CCCN(CC(=O)[O-])C1=O)C1CC1	ZINC001588543846	958983732	/nfs/dbraw/zinc/98/37/32/958983732.db2.gz	UGQNFOSZFROCDO-ONGXEEELSA-N	-1	0	293.323	0.213	20	30		CCEDRM
C[C@H](C(=O)NC[C@H](C(=O)[O-])C1CCC1)n1cnc(C#N)n1	ZINC001588554689	959047864	/nfs/dbraw/zinc/04/78/64/959047864.db2.gz	UCWDLORRAQDYJD-SCZZXKLOSA-N	-1	0	291.311	0.328	20	30		CCEDRM
CC(C)[C@H](O)CCNC(=O)[C@](C)(C#N)CC(=O)[O-]	ZINC001573500735	959061373	/nfs/dbraw/zinc/06/13/73/959061373.db2.gz	UBJINTSGWKCKIQ-SKDRFNHKSA-N	-1	0	256.302	0.514	20	30		CCEDRM
C[C@@](C#N)(CC(=O)[O-])C(=O)NCCC[C@H]1CCOC1	ZINC001588558418	959085225	/nfs/dbraw/zinc/08/52/25/959085225.db2.gz	TYJTXGPCAHCTOS-GWCFXTLKSA-N	-1	0	268.313	0.924	20	30		CCEDRM
CC#CCCNS(=O)(=O)c1cc(C(=O)[O-])n(C)c1	ZINC000158295356	959086048	/nfs/dbraw/zinc/08/60/48/959086048.db2.gz	GTUSYJARELTYRY-UHFFFAOYSA-N	-1	0	270.310	0.415	20	30		CCEDRM
C=C(Cl)CNC(=O)NCCn1cc(C(=O)[O-])nn1	ZINC000161186569	959172657	/nfs/dbraw/zinc/17/26/57/959172657.db2.gz	GTQNAUOSJJNXJW-UHFFFAOYSA-N	-1	0	273.680	0.028	20	30		CCEDRM
C#CC[C@@H](NS(=O)(=O)c1ccccc1OC)C(=O)[O-]	ZINC000161242900	959178740	/nfs/dbraw/zinc/17/87/40/959178740.db2.gz	VPTFUFCOZCOHIR-SECBINFHSA-N	-1	0	283.305	0.450	20	30		CCEDRM
C[C@H](C(=O)[O-])N(C(=O)c1ccc(C#N)n1C)C1CC1	ZINC001588589080	959330586	/nfs/dbraw/zinc/33/05/86/959330586.db2.gz	DXQTWUSSIQDIFU-MRVPVSSYSA-N	-1	0	261.281	0.974	20	30		CCEDRM
C[C@@H]1C[C@@]1(C(=O)[O-])C(=O)N1CCN(C2CC2)[C@@H](C#N)C1	ZINC001594223449	959398153	/nfs/dbraw/zinc/39/81/53/959398153.db2.gz	FFCGDIZRANOGHY-PUYPPJJSSA-N	-1	0	277.324	0.296	20	30		CCEDRM
C[C@@H](NC(=O)[C@](C)(C#N)CC(=O)[O-])c1csnn1	ZINC001573611757	959486949	/nfs/dbraw/zinc/48/69/49/959486949.db2.gz	ZTTRFSRVECJCQA-LDWIPMOCSA-N	-1	0	268.298	0.720	20	30		CCEDRM
C[C@@](C#N)(CC(=O)[O-])C(=O)N1CCO[C@](C)(C#N)C1	ZINC001573643835	959628416	/nfs/dbraw/zinc/62/84/16/959628416.db2.gz	SMQNQLHYCDRIMN-NWDGAFQWSA-N	-1	0	265.269	0.132	20	30		CCEDRM
C[C@@H](OC(=O)[C@@](C)(C#N)CC(=O)[O-])C(=O)N1CCCCC1	ZINC001603268235	972463808	/nfs/dbraw/zinc/46/38/08/972463808.db2.gz	GPJCDAWNCRNAOQ-QMTHXVAHSA-N	-1	0	296.323	0.935	20	30		CCEDRM
C#C[C@@H](CCC)NS(=O)(=O)N1CCC(C(=O)[O-])CC1	ZINC000229873198	960100489	/nfs/dbraw/zinc/10/04/89/960100489.db2.gz	GBYHXDLQRSYYSS-NSHDSACASA-N	-1	0	288.369	0.419	20	30		CCEDRM
C#CCCCCC(=O)N[C@H](CCC(=O)OC)C(=O)[O-]	ZINC000234505481	960353985	/nfs/dbraw/zinc/35/39/85/960353985.db2.gz	HXZGUHXDNPVBJT-SNVBAGLBSA-N	-1	0	269.297	0.703	20	30		CCEDRM
COc1ncc(NC(=O)N[C@H]2C[C@H](C(=O)[O-])C2)cc1C#N	ZINC001571035999	960531810	/nfs/dbraw/zinc/53/18/10/960531810.db2.gz	KVTOEXNJDLRZOM-XWEPSHTISA-N	-1	0	290.279	0.947	20	30		CCEDRM
Cc1cc(C)n(CC(=O)N2CCC(C#N)(C(=O)[O-])CC2)n1	ZINC001571037854	960546146	/nfs/dbraw/zinc/54/61/46/960546146.db2.gz	BVVKRBHYTWROSU-UHFFFAOYSA-N	-1	0	290.323	0.717	20	30		CCEDRM
C[C@H](NC(=O)N1CCC(C#N)(C(=O)[O-])CC1)[C@H]1CCOC1	ZINC001571056234	960731501	/nfs/dbraw/zinc/73/15/01/960731501.db2.gz	RWONUEWOLWLMPF-QWRGUYRKSA-N	-1	0	295.339	0.811	20	30		CCEDRM
CC[C@@H](NS(=O)(=O)c1ccc(C#N)cn1)C(=O)[O-]	ZINC001573936369	961595457	/nfs/dbraw/zinc/59/54/57/961595457.db2.gz	TYFGMCFIDUXXFV-MRVPVSSYSA-N	-1	0	269.282	0.095	20	30		CCEDRM
N#C[C@@H]1CN(C(=O)[C@H]2CC[C@@H](C(=O)[O-])C2)CCN1C1CC1	ZINC001574480574	961663875	/nfs/dbraw/zinc/66/38/75/961663875.db2.gz	MFZFCKJCIINPKN-DMDPSCGWSA-N	-1	0	291.351	0.686	20	30		CCEDRM
COC(=O)CCN(CC(=O)[O-])c1cc(C#N)nc(C)n1	ZINC001574061824	962210310	/nfs/dbraw/zinc/21/03/10/962210310.db2.gz	SZYQAOTVGVGOFZ-UHFFFAOYSA-N	-1	0	278.268	0.111	20	30		CCEDRM
C#CC[C@@H](NC(=O)CC[C@@H](O)CCCC)C(=O)[O-]	ZINC001573303340	962675820	/nfs/dbraw/zinc/67/58/20/962675820.db2.gz	WVYJJCNDKFGNPH-WDEREUQCSA-N	-1	0	255.314	0.910	20	30		CCEDRM
C#CC[C@H](CCOC)NC(=O)NC[C@H]1CCO[C@H]1C(=O)[O-]	ZINC001573303518	962678930	/nfs/dbraw/zinc/67/89/30/962678930.db2.gz	YNIPWYDXHNMNMX-IJLUTSLNSA-N	-1	0	298.339	0.204	20	30		CCEDRM
C#CCCCC(=O)N1C[C@H](NC(=O)CNC(=O)[O-])[C@@H](C)C1	ZINC001573303969	962683473	/nfs/dbraw/zinc/68/34/73/962683473.db2.gz	VANMLAFWLXKPHU-QWRGUYRKSA-N	-1	0	295.339	0.021	20	30		CCEDRM
C#CCN1CCC[C@@H](NC(=O)C(=C)CCC(=O)[O-])C1	ZINC001573311435	962703687	/nfs/dbraw/zinc/70/36/87/962703687.db2.gz	QCEYVTYTCGZEQR-GFCCVEGCSA-N	-1	0	264.325	0.621	20	30		CCEDRM
CC(C)n1cc(CNC(=O)[C@@](C)(C#N)CC(=O)[O-])nn1	ZINC001588980801	962718989	/nfs/dbraw/zinc/71/89/89/962718989.db2.gz	LOIGVRSCZWERLC-GFCCVEGCSA-N	-1	0	279.300	0.480	20	30		CCEDRM
C=C(CCC(=O)[O-])C(=O)N1CCOc2c1c(C)nn2C	ZINC001573331927	962820800	/nfs/dbraw/zinc/82/08/00/962820800.db2.gz	DXKBHEPLROJWTC-UHFFFAOYSA-N	-1	0	279.296	0.875	20	30		CCEDRM
C[C@@H](CC(=O)[O-])NC(=O)C(=O)Nc1ccc(C#N)cc1	ZINC001588993776	962820923	/nfs/dbraw/zinc/82/09/23/962820923.db2.gz	IODLULOWZPSVEM-QMMMGPOBSA-N	-1	0	275.264	0.476	20	30		CCEDRM
C[C@H](CC(=O)[O-])NC(=O)N1CCN(CCC#N)CC1	ZINC001588997538	962865617	/nfs/dbraw/zinc/86/56/17/962865617.db2.gz	DMVHYPNHTJOSCM-SNVBAGLBSA-N	-1	0	268.317	0.090	20	30		CCEDRM
C=CCOC[C@H](NC(=O)[C@@H]1[C@H]2CCCO[C@H]21)C(=O)[O-]	ZINC001526721003	962880542	/nfs/dbraw/zinc/88/05/42/962880542.db2.gz	HHURDPNXBWVFNZ-LMLFDSFASA-N	-1	0	269.297	0.183	20	30		CCEDRM
C=C1CC(C)(C(=O)N[C@@H](C)CNC(=O)CNC(=O)[O-])C1	ZINC001573343183	962901753	/nfs/dbraw/zinc/90/17/53/962901753.db2.gz	BAPLUBNWXFNSOI-VIFPVBQESA-N	-1	0	283.328	0.231	20	30		CCEDRM
C=C[C@](C)(CC)C(=O)NC[C@@H]1CCN1C(=O)CNC(=O)[O-]	ZINC001573347522	962948618	/nfs/dbraw/zinc/94/86/18/962948618.db2.gz	LGYOHKREFCGQCV-IINYFYTJSA-N	-1	0	297.355	0.573	20	30		CCEDRM
C=CC(C)(C)C(=O)NCC1CN(C(=O)[C@H]2C[C@H]2C(=O)[O-])C1	ZINC001573348433	962959237	/nfs/dbraw/zinc/95/92/37/962959237.db2.gz	XAESCDDHXFFXGJ-WDEREUQCSA-N	-1	0	294.351	0.494	20	30		CCEDRM
C=CCCCC(=O)N[C@H]1CN(C(=O)CNC(=O)[O-])C[C@H]1C	ZINC001573358318	963025575	/nfs/dbraw/zinc/02/55/75/963025575.db2.gz	YJAYOUVRTJSOBB-MNOVXSKESA-N	-1	0	297.355	0.573	20	30		CCEDRM
C=CCO[C@H]1CCN(C(=O)c2cc(C(=O)[O-])nn2C)C1	ZINC001573368892	963087861	/nfs/dbraw/zinc/08/78/61/963087861.db2.gz	KYCSDBQDKOVVNG-VIFPVBQESA-N	-1	0	279.296	0.535	20	30		CCEDRM
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C#CCCCC(=O)N1C[C@H](C(=O)OC)CC[C@@H]1C(=O)[O-]	ZINC001588435322	964020485	/nfs/dbraw/zinc/02/04/85/964020485.db2.gz	LQNUZWLVYVMDHG-GHMZBOCLSA-N	-1	0	281.308	0.655	20	30		CCEDRM
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C#CCCCS(=O)(=O)N[C@H](CC(=C)C)C(=O)[O-]	ZINC001588446972	964081288	/nfs/dbraw/zinc/08/12/88/964081288.db2.gz	PTXBOZAGDBCPLI-SNVBAGLBSA-N	-1	0	259.327	0.739	20	30		CCEDRM
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C#C[C@H](CC)NC(=O)N1CC[C@](COC)(C(=O)[O-])C1	ZINC000311868578	967953085	/nfs/dbraw/zinc/95/30/85/967953085.db2.gz	LIJTVNKJMKAOQG-MFKMUULPSA-N	-1	0	268.313	0.531	20	30		CCEDRM
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Cc1cc(C#N)ccc1C(=O)NCCOCC(=O)[O-]	ZINC001605102236	972759234	/nfs/dbraw/zinc/75/92/34/972759234.db2.gz	QHMFECBHEIOZBL-UHFFFAOYSA-N	-1	0	262.265	0.698	20	30		CCEDRM
Cc1cc(C(=O)OCC(=O)C(=O)[O-])cc(C)c1C#N	ZINC001605141502	972820842	/nfs/dbraw/zinc/82/08/42/972820842.db2.gz	ZXYLCEKYQUVJHK-UHFFFAOYSA-N	-1	0	261.233	0.986	20	30		CCEDRM
Cc1nnc(CN(C)C(=O)[C@](C)(C#N)CC(=O)[O-])o1	ZINC001605440476	973493221	/nfs/dbraw/zinc/49/32/21/973493221.db2.gz	HJWASBVXGBQHHW-NSHDSACASA-N	-1	0	266.257	0.341	20	30		CCEDRM
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Cc1cc(C#N)cc(N2C[C@H](O)C[C@@H](C(=O)[O-])C2)n1	ZINC000401966376	973572362	/nfs/dbraw/zinc/57/23/62/973572362.db2.gz	FQBPUABKKVPWAP-GHMZBOCLSA-N	-1	0	261.281	0.534	20	30		CCEDRM
COC[C@]1(C(=O)[O-])CN(c2nc(C)ccc2C#N)CCO1	ZINC001604565200	973630600	/nfs/dbraw/zinc/63/06/00/973630600.db2.gz	RIIIHMNMZWLGEG-AWEZNQCLSA-N	-1	0	291.307	0.568	20	30		CCEDRM
COCCN(CC(=O)[O-])C(=O)c1coc(C#N)c1	ZINC001604592502	973683068	/nfs/dbraw/zinc/68/30/68/973683068.db2.gz	HVBVNYJYMFNVML-UHFFFAOYSA-N	-1	0	252.226	0.324	20	30		CCEDRM
C#CC[C@@H](NC(=O)c1c(O)cccc1OC)C(=O)[O-]	ZINC000404588776	973734484	/nfs/dbraw/zinc/73/44/84/973734484.db2.gz	ADTLUBWOYNPQPO-MRVPVSSYSA-N	-1	0	263.249	0.607	20	30		CCEDRM
COCc1nc(COC(=O)[C@](C)(C#N)CC(=O)[O-])no1	ZINC001604648817	973782109	/nfs/dbraw/zinc/78/21/09/973782109.db2.gz	RYQHQNSNCROBAB-NSHDSACASA-N	-1	0	283.240	0.264	20	30		CCEDRM
N#CCC1(COC(=O)[C@H]2CC[C@@H](C(=O)[O-])C2)COC1	ZINC001605581616	973858267	/nfs/dbraw/zinc/85/82/67/973858267.db2.gz	DQNLCAGOZPEIRD-ZJUUUORDSA-N	-1	0	267.281	0.961	20	30		CCEDRM
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N#Cc1cncc(CON2C[C@H](C(=O)[O-])CC2=O)c1	ZINC001605627098	973963980	/nfs/dbraw/zinc/96/39/80/973963980.db2.gz	YVBHDYJKMPCWFX-SNVBAGLBSA-N	-1	0	261.237	0.318	20	30		CCEDRM
CCCC[C@@H](ON=C(C)C)C(=O)NC[C@](C)(O)C(=O)[O-]	ZINC001603640186	973979379	/nfs/dbraw/zinc/97/93/79/973979379.db2.gz	AOTGYMHHFONCQC-MFKMUULPSA-N	-1	0	288.344	0.909	20	30		CCEDRM
C[C@@H](CC(=O)[O-])CC(=O)NCCNc1ncccc1C#N	ZINC001592387937	977931267	/nfs/dbraw/zinc/93/12/67/977931267.db2.gz	IFFJUKQSAGPAFA-SNVBAGLBSA-N	-1	0	290.323	0.982	20	30		CCEDRM
CC[C@@H](CC#N)NCC(=O)Nc1nc(CC(=O)[O-])cs1	ZINC001595030528	979167784	/nfs/dbraw/zinc/16/77/84/979167784.db2.gz	QYKJZCMUIMKPIL-QMMMGPOBSA-N	-1	0	296.352	0.991	20	30		CCEDRM
CC[C@H](CNS(=O)(=O)CC1(C#N)CCC1)C(=O)[O-]	ZINC001595169669	979729836	/nfs/dbraw/zinc/72/98/36/979729836.db2.gz	CSAZPEHBUGUFCH-SECBINFHSA-N	-1	0	274.342	0.710	20	30		CCEDRM
CC[C@H](NS(=O)(=O)CC(C)(C)CC#N)C(=O)[O-]	ZINC001595307332	980465464	/nfs/dbraw/zinc/46/54/64/980465464.db2.gz	ZGBJOEMTWURUOX-QMMMGPOBSA-N	-1	0	262.331	0.709	20	30		CCEDRM
CC[C@H](C)NC(=O)[C@@H](C)N(CC#N)CCC(=O)[O-]	ZINC001594988366	982834832	/nfs/dbraw/zinc/83/48/32/982834832.db2.gz	ZWDUFYRKCXGLHO-VHSXEESVSA-N	-1	0	255.318	0.590	20	30		CCEDRM
N#Cc1ccc(C(=O)N[C@H](C[C@@H]2CCCO2)C(=O)[O-])[nH]1	ZINC001574245715	983201707	/nfs/dbraw/zinc/20/17/07/983201707.db2.gz	YRTVPQMUSOIAAL-GXSJLCMTSA-N	-1	0	277.280	0.638	20	30		CCEDRM
C#C[C@@H](C)NC(=O)C(=O)Nc1ccc(CC(=O)[O-])cc1	ZINC001588367977	983303060	/nfs/dbraw/zinc/30/30/60/983303060.db2.gz	FFAYDBZABDWJTL-SECBINFHSA-N	-1	0	274.276	0.390	20	30		CCEDRM
C#C[C@@H](CO)NC(=O)Nc1ccc(CCC(=O)[O-])cc1	ZINC001588371126	983324998	/nfs/dbraw/zinc/32/49/98/983324998.db2.gz	WUDHLKAPFPWEQF-NSHDSACASA-N	-1	0	276.292	0.819	20	30		CCEDRM
C#C[C@H](NS(=O)(=O)c1occc1C(=O)[O-])[C@@H]1CCCO1	ZINC001588376221	983350174	/nfs/dbraw/zinc/35/01/74/983350174.db2.gz	QTFYWERZMUUNNH-UWVGGRQHSA-N	-1	0	299.304	0.437	20	30		CCEDRM
C#C[C@@H](NS(=O)(=O)CC1(C(=O)[O-])CC1)C(C)(C)C	ZINC001588376484	983352119	/nfs/dbraw/zinc/35/21/19/983352119.db2.gz	FAIZJMLPAAETHA-SECBINFHSA-N	-1	0	273.354	0.819	20	30		CCEDRM
C#C[C@@H](NS(=O)(=O)c1cc(C(=O)[O-])[nH]n1)C(C)(C)C	ZINC001588377011	983355272	/nfs/dbraw/zinc/35/52/72/983355272.db2.gz	IGCYJQOKFFFKKQ-MRVPVSSYSA-N	-1	0	285.325	0.434	20	30		CCEDRM
C#C[C@@H]1CCCCN1C(=O)C(=O)N[C@@H]1CC=C(C(=O)[O-])C1	ZINC001588382482	983371587	/nfs/dbraw/zinc/37/15/87/983371587.db2.gz	PTGHQMZFCZSJKF-VXGBXAGGSA-N	-1	0	290.319	0.290	20	30		CCEDRM
C#C[C@@H]1CCCCN1S(=O)(=O)c1ccc(C(=O)[O-])nc1	ZINC001588383006	983376626	/nfs/dbraw/zinc/37/66/26/983376626.db2.gz	WCAGGDPYJQSIQV-SNVBAGLBSA-N	-1	0	294.332	0.956	20	30		CCEDRM
C#CC[C@H](CCOC)NC(=O)C(=C)CCC(=O)[O-]	ZINC001588390145	983392203	/nfs/dbraw/zinc/39/22/03/983392203.db2.gz	MCWXPPBHXCZURH-LLVKDONJSA-N	-1	0	253.298	0.952	20	30		CCEDRM
C#CC[C@H](CO)NC(=O)c1cc(F)cc(C(=O)[O-])c1	ZINC001588394098	983401754	/nfs/dbraw/zinc/40/17/54/983401754.db2.gz	MNIVFPRAOQBITO-LLVKDONJSA-N	-1	0	265.240	0.638	20	30		CCEDRM
C#CC[C@@H](NC(=O)Cc1ccc(-n2cnnc2)cc1)C(=O)[O-]	ZINC001588404906	983419453	/nfs/dbraw/zinc/41/94/53/983419453.db2.gz	IGHKCNHBBUVBPT-CYBMUJFWSA-N	-1	0	298.302	0.403	20	30		CCEDRM
C#CC[C@H](NC(=O)C[C@@H]1NC(=O)c2ccccc21)C(=O)[O-]	ZINC001588405983	983423447	/nfs/dbraw/zinc/42/34/47/983423447.db2.gz	LCDKEQWLWIMZEQ-RYUDHWBXSA-N	-1	0	286.287	0.454	20	30		CCEDRM
C#CC[C@@H](NC(=O)CCCc1nc(CCC)no1)C(=O)[O-]	ZINC001588406141	983424118	/nfs/dbraw/zinc/42/41/18/983424118.db2.gz	YLINTOPRRNUITL-SNVBAGLBSA-N	-1	0	293.323	0.938	20	30		CCEDRM
C#CC[C@H](NC(=O)/C=C/c1cnccc1C)C(=O)[O-]	ZINC001588406226	983424609	/nfs/dbraw/zinc/42/46/09/983424609.db2.gz	NZEJSRFNBGPSCD-FYJFLYSWSA-N	-1	0	258.277	0.996	20	30		CCEDRM
C#CC[C@H](NC(=O)[C@H]1CCCN(C(C)(C)C)C1=O)C(=O)[O-]	ZINC001588406967	983426886	/nfs/dbraw/zinc/42/68/86/983426886.db2.gz	UKFYLMXYYOBELR-MNOVXSKESA-N	-1	0	294.351	0.616	20	30		CCEDRM
C#CC[C@@H](NC(=O)CCCCC(=O)[O-])C(=O)OC	ZINC001588407108	983427167	/nfs/dbraw/zinc/42/71/67/983427167.db2.gz	WOZKCCHVJMZNKI-SECBINFHSA-N	-1	0	255.270	0.313	20	30		CCEDRM
C#CC[C@@H](NC(=O)Cc1cnccc1Cl)C(=O)[O-]	ZINC001588407345	983427972	/nfs/dbraw/zinc/42/79/72/983427972.db2.gz	GNJKFVRALIDEQH-SNVBAGLBSA-N	-1	0	266.684	0.870	20	30		CCEDRM
C#CC[C@@H](NC(=O)c1cc(C)ccc1-n1cnnc1)C(=O)[O-]	ZINC001588414456	983434258	/nfs/dbraw/zinc/43/42/58/983434258.db2.gz	SZXRHTYJMGMAHX-GFCCVEGCSA-N	-1	0	298.302	0.782	20	30		CCEDRM
C#CC[C@H](NC(=O)c1cc(C)cc(C(=O)OC)c1)C(=O)[O-]	ZINC001588414765	983435156	/nfs/dbraw/zinc/43/51/56/983435156.db2.gz	ZUMINYPPEGHLCR-LBPRGKRZSA-N	-1	0	289.287	0.988	20	30		CCEDRM
C#CC[C@H](NC(=O)c1cnc(NCC=C)s1)C(=O)[O-]	ZINC001588416166	983436302	/nfs/dbraw/zinc/43/63/02/983436302.db2.gz	JTXFEEOZYVQFES-QMMMGPOBSA-N	-1	0	279.321	0.947	20	30		CCEDRM
C#CC[C@@H](NC(=O)c1ncccc1NCC)C(=O)[O-]	ZINC001588421701	983442487	/nfs/dbraw/zinc/44/24/87/983442487.db2.gz	MZQUZLPVIYUJED-SNVBAGLBSA-N	-1	0	261.281	0.720	20	30		CCEDRM
C#CC[C@@H](NS(=O)(=O)CCC1CCOCC1)C(=O)[O-]	ZINC001588424687	983456479	/nfs/dbraw/zinc/45/64/79/983456479.db2.gz	ZEKMYXIMJYKIMA-LLVKDONJSA-N	-1	0	289.353	0.199	20	30		CCEDRM
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C#CCC[C@@H](O)CNC(=O)NCc1ncc(C(=O)[O-])s1	ZINC001588435053	983474387	/nfs/dbraw/zinc/47/43/87/983474387.db2.gz	ARVRDFVAMVSPIT-MRVPVSSYSA-N	-1	0	297.336	0.415	20	30		CCEDRM
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C#CCOCCC(=O)N1C[C@H](C)[C@@](C)(C(=O)[O-])C1	ZINC001588490308	983531681	/nfs/dbraw/zinc/53/16/81/983531681.db2.gz	YMTLVHXOIZMJQK-GWCFXTLKSA-N	-1	0	253.298	0.596	20	30		CCEDRM
C#CCO[C@@H](C)C(=O)N[C@H]1C[C@H]2C[C@@H](C(=O)[O-])C[C@H]21	ZINC001588490475	983532463	/nfs/dbraw/zinc/53/24/63/983532463.db2.gz	NVGAOPWBWHPHPE-KQSJRHEJSA-N	-1	0	265.309	0.640	20	30		CCEDRM
C#CCO[C@H](C)C(=O)N([C@H](C)C(=O)[O-])C1CCC1	ZINC001588490697	983533676	/nfs/dbraw/zinc/53/36/76/983533676.db2.gz	VUJKBYKHHAMZEA-NXEZZACHSA-N	-1	0	253.298	0.879	20	30		CCEDRM
C#Cc1ccc(C(=O)N2CC[C@](OC)(C(=O)[O-])C2)nc1	ZINC001588510834	983557332	/nfs/dbraw/zinc/55/73/32/983557332.db2.gz	LNSXQAQFQUPIGU-CQSZACIVSA-N	-1	0	274.276	0.379	20	30		CCEDRM
C#Cc1ccc(N2CC[C@]3(CC(C(=O)[O-])=NO3)C2)nc1	ZINC001588516861	983562649	/nfs/dbraw/zinc/56/26/49/983562649.db2.gz	FMFIHIOBLBFZOA-AWEZNQCLSA-N	-1	0	271.276	0.873	20	30		CCEDRM
C#Cc1ccccc1CC(=O)N1C[C@H](O)C[C@H](C(=O)[O-])C1	ZINC001588524901	983576614	/nfs/dbraw/zinc/57/66/14/983576614.db2.gz	YFHBQKWVRAXOJP-UONOGXRCSA-N	-1	0	287.315	0.504	20	30		CCEDRM
C=C(C)C[C@H](NC(=O)[C@H]1CCCC(=O)N1C)C(=O)[O-]	ZINC001588537132	983598129	/nfs/dbraw/zinc/59/81/29/983598129.db2.gz	IVUUTCURTDKUOT-VHSXEESVSA-N	-1	0	268.313	0.533	20	30		CCEDRM
C=C(C)C[C@H](NC(=O)[C@@H](C)n1ccnc1)C(=O)[O-]	ZINC001588537787	983602201	/nfs/dbraw/zinc/60/22/01/983602201.db2.gz	YDSHIAOREWOIBQ-ZJUUUORDSA-N	-1	0	251.286	0.980	20	30		CCEDRM
C=C(C)C[C@H](NC(=O)C[C@@H]1CCC(=O)N1)C(=O)[O-]	ZINC001588540373	983603603	/nfs/dbraw/zinc/60/36/03/983603603.db2.gz	DUTYPSKQMZSKSY-IUCAKERBSA-N	-1	0	254.286	0.191	20	30		CCEDRM
C=C(C)C[C@H](NC(C)=O)C(=O)NCCSCC(=O)[O-]	ZINC001588547466	983620386	/nfs/dbraw/zinc/62/03/86/983620386.db2.gz	KFPNDVXNGMZCSS-JTQLQIEISA-N	-1	0	288.369	0.391	20	30		CCEDRM
C=C(C)C[C@@H](NC(C)=O)C(=O)N1CCO[C@@H](CC(=O)[O-])C1	ZINC001588548688	983624865	/nfs/dbraw/zinc/62/48/65/983624865.db2.gz	WTWLCRWWLJTYOJ-NWDGAFQWSA-N	-1	0	298.339	0.159	20	30		CCEDRM
CCN(C[C@@H](C)C#N)S(=O)(=O)CC1(C(=O)[O-])CC1	ZINC001596230928	983625018	/nfs/dbraw/zinc/62/50/18/983625018.db2.gz	CJLBJILFPZKLKR-VIFPVBQESA-N	-1	0	274.342	0.663	20	30		CCEDRM
C=C(C)C[C@H](NS(=O)(=O)CC(C)(C)C#N)C(=O)[O-]	ZINC001588553631	983628067	/nfs/dbraw/zinc/62/80/67/983628067.db2.gz	OZPUBDADJIBPNV-VIFPVBQESA-N	-1	0	274.342	0.875	20	30		CCEDRM
C=C(C)C[C@@H](NS(=O)(=O)CC1(N(C)C)CC1)C(=O)[O-]	ZINC001588553473	983628151	/nfs/dbraw/zinc/62/81/51/983628151.db2.gz	NITAFJDKTLRSRV-SNVBAGLBSA-N	-1	0	290.385	0.419	20	30		CCEDRM
C=C(C)CCn1nnnc1N1CC[C@H](C(=O)[O-])C1	ZINC001588561614	983642468	/nfs/dbraw/zinc/64/24/68/983642468.db2.gz	QIOTVDYXNZHULY-VIFPVBQESA-N	-1	0	251.290	0.550	20	30		CCEDRM
C=C(C)CN1CC(N(C)C(=O)[C@H]2C[C@@H]2C(=O)[O-])C1	ZINC001588585115	983662495	/nfs/dbraw/zinc/66/24/95/983662495.db2.gz	JQLVGUWFGYTZIA-QWRGUYRKSA-N	-1	0	252.314	0.426	20	30		CCEDRM
C=C(C)[C@@H]1OCC[C@@H]1C(=O)NC[C@H]1C[C@H]1C(=O)[O-]	ZINC001588599532	983690586	/nfs/dbraw/zinc/69/05/86/983690586.db2.gz	VHVKDTGMABLIGH-YTWAJWBKSA-N	-1	0	253.298	0.805	20	30		CCEDRM
C=C(CC(C)C)C(=O)N1CCC[C@@H]1C(=O)NCC(=O)[O-]	ZINC001588605217	983691476	/nfs/dbraw/zinc/69/14/76/983691476.db2.gz	DCSYLYVEPUWECX-LLVKDONJSA-N	-1	0	282.340	0.781	20	30		CCEDRM
C=C(CCC(=O)[O-])C(=O)N1CC(=O)N[C@@H]2CCCC[C@@H]21	ZINC001588612320	983702609	/nfs/dbraw/zinc/70/26/09/983702609.db2.gz	MVVCRUMRGXMAGR-MNOVXSKESA-N	-1	0	280.324	0.677	20	30		CCEDRM
C=C(CCC(=O)[O-])C(=O)N1CCC(C(=O)OC)CC1	ZINC001588614021	983706289	/nfs/dbraw/zinc/70/62/89/983706289.db2.gz	JLROFOUAWFRUGT-UHFFFAOYSA-N	-1	0	269.297	0.819	20	30		CCEDRM
C=C(CCC(=O)[O-])C(=O)N1CC(n2cncn2)C1	ZINC001588614617	983708379	/nfs/dbraw/zinc/70/83/79/983708379.db2.gz	YPWLVBGCVKEYPY-UHFFFAOYSA-N	-1	0	250.258	0.082	20	30		CCEDRM
C=C(CCC(=O)[O-])C(=O)N1CCN(c2cnccn2)CC1	ZINC001588615237	983710909	/nfs/dbraw/zinc/71/09/09/983710909.db2.gz	NXGDAVSZUFEXOF-UHFFFAOYSA-N	-1	0	290.323	0.546	20	30		CCEDRM
C=C(CCC(=O)[O-])C(=O)N1CCO[C@H](CC(=O)OC)C1	ZINC001588615338	983711460	/nfs/dbraw/zinc/71/14/60/983711460.db2.gz	QVBAAXQYXWSJNP-SNVBAGLBSA-N	-1	0	285.296	0.198	20	30		CCEDRM
C=C(CCC(=O)[O-])C(=O)N[C@H](CCF)C(=O)OC	ZINC001588621517	983719596	/nfs/dbraw/zinc/71/95/96/983719596.db2.gz	FVEUFWMXIUXOJT-MRVPVSSYSA-N	-1	0	261.249	0.425	20	30		CCEDRM
C=C(CCC(=O)[O-])C(=O)N[C@@H]1CC(=O)N(C2CC2)C1	ZINC001588621821	983720996	/nfs/dbraw/zinc/72/09/96/983720996.db2.gz	KNTSVMXZTJMODQ-SECBINFHSA-N	-1	0	266.297	0.287	20	30		CCEDRM
C=C(CCC(=O)[O-])C(=O)NC[C@](C)(O)CCOC	ZINC001588623145	983726548	/nfs/dbraw/zinc/72/65/48/983726548.db2.gz	KGTXTKPGHJQGSM-GFCCVEGCSA-N	-1	0	259.302	0.311	20	30		CCEDRM
C=C(CCC(=O)[O-])C(=O)N[C@@H]1Cc2cccnc2NC1=O	ZINC001588623453	983728060	/nfs/dbraw/zinc/72/80/60/983728060.db2.gz	QMGGLSAABOBTOR-SNVBAGLBSA-N	-1	0	289.291	0.482	20	30		CCEDRM
C=C(CCC(=O)[O-])C(=O)N[C@@H]1CCN(C(=O)OCC)C1	ZINC001588623738	983729487	/nfs/dbraw/zinc/72/94/87/983729487.db2.gz	WDQVZTUFRAGJGH-SNVBAGLBSA-N	-1	0	284.312	0.754	20	30		CCEDRM
C=C(CCC(=O)[O-])C(=O)NCCCc1nncn1C	ZINC001588624301	983731075	/nfs/dbraw/zinc/73/10/75/983731075.db2.gz	DPNXJLHDFJBOPB-UHFFFAOYSA-N	-1	0	266.301	0.285	20	30		CCEDRM
C=C(CCC(=O)[O-])C(=O)Nc1nn(C)cc1C(=O)OC	ZINC001588633530	983750055	/nfs/dbraw/zinc/75/00/55/983750055.db2.gz	NOSQEOFFZXRZTH-UHFFFAOYSA-N	-1	0	281.268	0.566	20	30		CCEDRM
C=C[C@@H](C(=O)[O-])N(CC1CC1)[C@@H](C(N)=O)C1CC1	ZINC001588664330	983799606	/nfs/dbraw/zinc/79/96/06/983799606.db2.gz	POIRZHYROGHAFR-WDEREUQCSA-N	-1	0	252.314	0.602	20	30		CCEDRM
C=C[C@H](C(=O)[O-])N1CCO[C@H]([C@@H]2COC(C)(C)O2)C1	ZINC001588669443	983812363	/nfs/dbraw/zinc/81/23/63/983812363.db2.gz	LECCEBWRGLTAFN-VWYCJHECSA-N	-1	0	271.313	0.478	20	30		CCEDRM
C=C[C@H](C(=O)[O-])N1CCO[C@@H](C(=O)OC(C)(C)C)C1	ZINC001588669705	983814447	/nfs/dbraw/zinc/81/44/47/983814447.db2.gz	NTLHWFCACPIXKF-NXEZZACHSA-N	-1	0	271.313	0.668	20	30		CCEDRM
C=C[C@@H](C(=O)OC)N1CCC[C@](O)(C2(C(=O)[O-])CCC2)C1	ZINC001588672178	983823983	/nfs/dbraw/zinc/82/39/83/983823983.db2.gz	PDQFMOLMYZYPTO-XHDPSFHLSA-N	-1	0	297.351	0.796	20	30		CCEDRM
C=CC(C)(C)NC(=O)NCCn1cc(C(=O)[O-])nn1	ZINC001588681068	983838704	/nfs/dbraw/zinc/83/87/04/983838704.db2.gz	OGJILWODDSINKH-UHFFFAOYSA-N	-1	0	267.289	0.240	20	30		CCEDRM
C=C[C@@](C)(O)C(=O)N[C@@H]1CCCn2nc(C(=O)[O-])cc21	ZINC001588682673	983844793	/nfs/dbraw/zinc/84/47/93/983844793.db2.gz	PORNYWBZILFQFS-AMIZOPFISA-N	-1	0	279.296	0.469	20	30		CCEDRM
C=C[C@](C)(O)CC(=O)Nc1ccn(C(C)(C)C(=O)[O-])n1	ZINC001588683624	983849838	/nfs/dbraw/zinc/84/98/38/983849838.db2.gz	AUCLTOVLVDPWOT-ZDUSSCGKSA-N	-1	0	281.312	0.968	20	30		CCEDRM
C=C[C@](C)(O)CC(=O)N(CCC(=O)[O-])CC(OC)OC	ZINC001588683751	983850264	/nfs/dbraw/zinc/85/02/64/983850264.db2.gz	DFKVVTAVGDTEKJ-ZDUSSCGKSA-N	-1	0	289.328	0.236	20	30		CCEDRM
C=C[C@](C)(O)CC(=O)N1C[C@H](C(=O)[O-])CC[C@H]1C(=O)OC	ZINC001588684275	983857847	/nfs/dbraw/zinc/85/78/47/983857847.db2.gz	OEDHJBTUAZTHNS-BFVZDQMLSA-N	-1	0	299.323	0.178	20	30		CCEDRM
C=C[C@H](C)ONC(=O)CC[C@@H]1C[C@H](C(=O)[O-])CO1	ZINC001588686809	983867089	/nfs/dbraw/zinc/86/70/89/983867089.db2.gz	FYXPGEOIAQGKDR-LPEHRKFASA-N	-1	0	257.286	0.879	20	30		CCEDRM
C=C[C@@H](COC)NC(=O)Nc1c(C(=O)[O-])cnn1C	ZINC001588693106	983890237	/nfs/dbraw/zinc/89/02/37/983890237.db2.gz	RHBCQYLDSOGPQW-ZETCQYMHSA-N	-1	0	268.273	0.441	20	30		CCEDRM
C=C[C@H](N[C@@H]1CCN(c2cc(C)nn2C)C1=O)C(=O)[O-]	ZINC001588696558	983903142	/nfs/dbraw/zinc/90/31/42/983903142.db2.gz	OWNNVHAAQPRLNS-VHSXEESVSA-N	-1	0	278.312	0.063	20	30		CCEDRM
C=C[C@H](OC(=O)CN1C(=O)[C@@H]2CCCC[C@H]2C1=O)C(=O)[O-]	ZINC001588710401	983931755	/nfs/dbraw/zinc/93/17/55/983931755.db2.gz	AQGPSXRXOWXDGS-BBBLOLIVSA-N	-1	0	295.291	0.344	20	30		CCEDRM
C=C[C@@H](OC(=O)[C@H]1CCN(C(=O)CC)C1)C(=O)[O-]	ZINC001588710477	983932263	/nfs/dbraw/zinc/93/22/63/983932263.db2.gz	CLAACHKFLXBYEW-DTWKUNHWSA-N	-1	0	255.270	0.427	20	30		CCEDRM
C=C[C@H](OC(=O)[C@H]1CCc2ncncc2C1)C(=O)[O-]	ZINC001588711283	983936662	/nfs/dbraw/zinc/93/66/62/983936662.db2.gz	NRQPMYABABGNTH-KWQFWETISA-N	-1	0	262.265	0.764	20	30		CCEDRM
C=C[C@H](OC(=O)c1cnc2c(c1)NC(=O)CN2C)C(=O)[O-]	ZINC001588712415	983943819	/nfs/dbraw/zinc/94/38/19/983943819.db2.gz	KVAQVWHZPQIGLY-VIFPVBQESA-N	-1	0	291.263	0.266	20	30		CCEDRM
C=C[C@@H](Sc1nnc(Cn2cncn2)o1)C(=O)[O-]	ZINC001588715413	983955627	/nfs/dbraw/zinc/95/56/27/983955627.db2.gz	XCESBLPXXXCSQQ-ZCFIWIBFSA-N	-1	0	267.270	0.441	20	30		CCEDRM
C=C[C@@H]1CCCCN1C(=O)C(=O)NC[C@H](F)C(=O)[O-]	ZINC001588718817	983957449	/nfs/dbraw/zinc/95/74/49/983957449.db2.gz	GPXWUJQWHKHBHB-BDAKNGLRSA-N	-1	0	272.276	0.092	20	30		CCEDRM
C=CC[C@@H](C(=O)[O-])N1CCO[C@@](C)(C(=O)OCC)C1	ZINC001588731057	984005504	/nfs/dbraw/zinc/00/55/04/984005504.db2.gz	CKAOGOUYRUOSID-GXFFZTMASA-N	-1	0	271.313	0.670	20	30		CCEDRM
C=CC[C@H](CO)NC(=O)CCc1ocnc1C(=O)[O-]	ZINC001588743795	984039255	/nfs/dbraw/zinc/03/92/55/984039255.db2.gz	CRQPRMUEYDZLGL-MRVPVSSYSA-N	-1	0	268.269	0.359	20	30		CCEDRM
C=CC[C@@H](CO)NC(=O)C(=O)Nc1cc(C(=O)[O-])cs1	ZINC001588745450	984051854	/nfs/dbraw/zinc/05/18/54/984051854.db2.gz	ZQPCBYCSLGRXKK-QMMMGPOBSA-N	-1	0	298.320	0.438	20	30		CCEDRM
C=CC[C@@H](NCc1nnnn1-c1ccccc1)C(=O)[O-]	ZINC001588749631	984067219	/nfs/dbraw/zinc/06/72/19/984067219.db2.gz	NSENHOLKQOALIB-LLVKDONJSA-N	-1	0	273.296	0.781	20	30		CCEDRM
C=CC[C@H](OC(=O)[C@]1(COC)CCOC1)C(=O)[O-]	ZINC001588750940	984074737	/nfs/dbraw/zinc/07/47/37/984074737.db2.gz	ILCFVVICCFPULQ-CABZTGNLSA-N	-1	0	258.270	0.612	20	30		CCEDRM
C=CC[C@H](Nc1cc(C)n(CC(=O)NC)n1)C(=O)[O-]	ZINC001588751012	984075104	/nfs/dbraw/zinc/07/51/04/984075104.db2.gz	JOVREILNVVMVGY-VIFPVBQESA-N	-1	0	266.301	0.379	20	30		CCEDRM
C=CC[C@@H](OC(=O)[C@@H](NC(C)=O)C(C)C)C(=O)[O-]	ZINC001588751526	984077270	/nfs/dbraw/zinc/07/72/70/984077270.db2.gz	NQLPRSBJNJYNPS-ZJUUUORDSA-N	-1	0	257.286	0.720	20	30		CCEDRM
C=CC[C@@H](OC(=O)C[C@@H]1CCC(=O)NC1)C(=O)[O-]	ZINC001588753482	984086049	/nfs/dbraw/zinc/08/60/49/984086049.db2.gz	IEEKNWMXLLOWRJ-DTWKUNHWSA-N	-1	0	255.270	0.475	20	30		CCEDRM
C=CC[C@H](OC(=O)C1(n2cnnn2)CCCCC1)C(=O)[O-]	ZINC001588753687	984088180	/nfs/dbraw/zinc/08/81/80/984088180.db2.gz	LRXCPEFZIHDAFG-JTQLQIEISA-N	-1	0	294.311	0.905	20	30		CCEDRM
C=CC[C@H](OC(=O)[C@@H]1CCCN(C2CC2)C1=O)C(=O)[O-]	ZINC001588753760	984088911	/nfs/dbraw/zinc/08/89/11/984088911.db2.gz	MWMRGMRSXHUBII-MNOVXSKESA-N	-1	0	281.308	0.960	20	30		CCEDRM
C=CC[C@H](OC(=O)C[C@]1(C)CCS(=O)(=O)N1)C(=O)[O-]	ZINC001588754235	984093071	/nfs/dbraw/zinc/09/30/71/984093071.db2.gz	VWBHWWACLSJCIF-KWQFWETISA-N	-1	0	291.325	0.031	20	30		CCEDRM
C=CC[C@H](OC(=O)[C@@H]1[C@H]2CC[C@]3(COC(=O)[C@H]13)O2)C(=O)[O-]	ZINC001588757438	984103028	/nfs/dbraw/zinc/10/30/28/984103028.db2.gz	ZVLYGOOGSHNCDN-CROINBHNSA-N	-1	0	296.275	0.280	20	30		CCEDRM
C=CC[C@@H](OC(=O)[C@@H]1CC[C@@H]1C(=O)OC)C(=O)[O-]	ZINC001588757408	984103097	/nfs/dbraw/zinc/10/30/97/984103097.db2.gz	ZRQANYKTIJGOPQ-DJLDLDEBSA-N	-1	0	256.254	0.758	20	30		CCEDRM
C=CC[C@H](Sc1nnnn1C[C@H]1CCCO1)C(=O)[O-]	ZINC001588763244	984118771	/nfs/dbraw/zinc/11/87/71/984118771.db2.gz	QUTWJDGSQSITRN-BDAKNGLRSA-N	-1	0	284.341	0.974	20	30		CCEDRM
C=CC[C@@H]1CCN1C(=O)C(=O)Nc1nn(C)cc1C(=O)[O-]	ZINC001588772416	984143110	/nfs/dbraw/zinc/14/31/10/984143110.db2.gz	FLPVSIKZBJDRJK-MRVPVSSYSA-N	-1	0	292.295	0.234	20	30		CCEDRM
C=CCCC(=O)N[C@@H]1CCN(c2ccnc(C(=O)[O-])n2)C1	ZINC001588773587	984148264	/nfs/dbraw/zinc/14/82/64/984148264.db2.gz	AKHXDBNAQOBDHQ-SNVBAGLBSA-N	-1	0	290.323	0.836	20	30		CCEDRM
C=CCC[C@H](CO)NC(=O)Cc1ccc(C(=O)[O-])nc1	ZINC001588778055	984158876	/nfs/dbraw/zinc/15/88/76/984158876.db2.gz	RZNOVNXUACBWFO-LLVKDONJSA-N	-1	0	278.308	0.766	20	30		CCEDRM
C=CCC[C@H](CO)NC(=O)CCCn1ccc(C(=O)[O-])n1	ZINC001588778140	984159462	/nfs/dbraw/zinc/15/94/62/984159462.db2.gz	ULBWILJNWADLOC-LLVKDONJSA-N	-1	0	295.339	0.805	20	30		CCEDRM
C=CCCC[C@H](NC(=O)C[C@@H]1CCC(=O)N1)C(=O)[O-]	ZINC001588789330	984197892	/nfs/dbraw/zinc/19/78/92/984197892.db2.gz	AZXAZBOLPAVZOV-UWVGGRQHSA-N	-1	0	268.313	0.581	20	30		CCEDRM
C=CCCC[C@H](NC(=O)[C@H]1CCN(C)C1=O)C(=O)[O-]	ZINC001588789799	984201012	/nfs/dbraw/zinc/20/10/12/984201012.db2.gz	JWGUQYMEWBERQG-ZJUUUORDSA-N	-1	0	268.313	0.390	20	30		CCEDRM
C=CCCCCNC(=O)N1C[C@H](C(=O)[O-])[C@@H](C(=O)OC)C1	ZINC001588802503	984250229	/nfs/dbraw/zinc/25/02/29/984250229.db2.gz	PLIFSSYRKDQHJI-QWRGUYRKSA-N	-1	0	298.339	0.858	20	30		CCEDRM
C=CCCO[C@@H](C)C(=O)N[C@H]1CCO[C@H]1C(=O)[O-]	ZINC001588808528	984262272	/nfs/dbraw/zinc/26/22/72/984262272.db2.gz	GHUDVDIPQNWGRM-LPEHRKFASA-N	-1	0	257.286	0.326	20	30		CCEDRM
C=CCCO[C@H](C)C(=O)N[C@H](C(=O)[O-])c1ccn(C)n1	ZINC001588808519	984262530	/nfs/dbraw/zinc/26/25/30/984262530.db2.gz	FFUMICKPJRFUAN-KOLCDFICSA-N	-1	0	281.312	0.643	20	30		CCEDRM
C=CCCn1cc(C(=O)O[C@@H](C)C(=O)C(=O)[O-])nn1	ZINC001588817580	984276622	/nfs/dbraw/zinc/27/66/22/984276622.db2.gz	OBPNQTBEVJWDEU-ZETCQYMHSA-N	-1	0	267.241	0.053	20	30		CCEDRM
C=CCN1CC[C@H](n2cc([N+](=O)[O-])c(C(=O)[O-])n2)C1=O	ZINC001588838255	984336600	/nfs/dbraw/zinc/33/66/00/984336600.db2.gz	CSLUGHNCRLZSLV-ZETCQYMHSA-N	-1	0	280.240	0.449	20	30		CCEDRM
C=CCN1CC[C@H](N[C@H](Cc2cncs2)C(=O)[O-])C1=O	ZINC001588838786	984341159	/nfs/dbraw/zinc/34/11/59/984341159.db2.gz	JTQUEQJEWINWBB-WDEREUQCSA-N	-1	0	295.364	0.515	20	30		CCEDRM
C=CCN1CC[C@@H](OC(=O)C(C)(C)CC(=O)[O-])C1=O	ZINC001588839190	984345526	/nfs/dbraw/zinc/34/55/26/984345526.db2.gz	OOWHUFXDYTYMDF-SECBINFHSA-N	-1	0	269.297	0.817	20	30		CCEDRM
C=CCNC(=O)[C@H](C#N)C(=O)Cc1ccc(C(=O)[O-])cc1	ZINC001588839767	984349297	/nfs/dbraw/zinc/34/92/97/984349297.db2.gz	VCSBYGIXOZRQPM-GFCCVEGCSA-N	-1	0	286.287	0.938	20	30		CCEDRM
C=CCN1CC[C@@H](OC(=O)c2ccc(C(=O)[O-])o2)C1=O	ZINC001588839811	984350455	/nfs/dbraw/zinc/35/04/55/984350455.db2.gz	WCZIFDAXFDXSNL-MRVPVSSYSA-N	-1	0	279.248	0.922	20	30		CCEDRM
C=CCN1CC[C@@H](OC(=O)c2ccc(C(=O)[O-])cn2)C1=O	ZINC001588839914	984350989	/nfs/dbraw/zinc/35/09/89/984350989.db2.gz	XWYWORJDQYXHFC-LLVKDONJSA-N	-1	0	290.275	0.724	20	30		CCEDRM
C=CCNC(=O)N1CCC[C@H](n2cc(C(=O)[O-])nn2)C1	ZINC001588844898	984360850	/nfs/dbraw/zinc/36/08/50/984360850.db2.gz	YNSGVOJYMWDFJU-VIFPVBQESA-N	-1	0	279.300	0.509	20	30		CCEDRM
C=CCOC[C@@H](NC(=O)CCc1nc(C)no1)C(=O)[O-]	ZINC001588854224	984389240	/nfs/dbraw/zinc/38/92/40/984389240.db2.gz	RPTBPHFNFBAQLJ-SECBINFHSA-N	-1	0	283.284	0.083	20	30		CCEDRM
C=CCOC[C@H](NC(=O)[C@H](C)c1cncnc1)C(=O)[O-]	ZINC001588855344	984391933	/nfs/dbraw/zinc/39/19/33/984391933.db2.gz	FJKBDSXUENOMSD-KOLCDFICSA-N	-1	0	279.296	0.352	20	30		CCEDRM
C=CCOC[C@@H](NC(=O)[C@H](C)n1nc(C)cc1C)C(=O)[O-]	ZINC001588855588	984393810	/nfs/dbraw/zinc/39/38/10/984393810.db2.gz	MBTFIFMDASTDMI-NWDGAFQWSA-N	-1	0	295.339	0.833	20	30		CCEDRM
C=CCOC[C@@H](NC(=O)c1c(C)nn(CC)c1C)C(=O)[O-]	ZINC001588856659	984401406	/nfs/dbraw/zinc/40/14/06/984401406.db2.gz	OHKINHVYTSMPFM-LLVKDONJSA-N	-1	0	295.339	0.905	20	30		CCEDRM
C=CCOC[C@@H](NC(=O)c1nnn(C(C)C)c1C)C(=O)[O-]	ZINC001588860216	984411616	/nfs/dbraw/zinc/41/16/16/984411616.db2.gz	MJROVYSDQJVRGV-SNVBAGLBSA-N	-1	0	296.327	0.553	20	30		CCEDRM
C=CCOC[C@H](NC(=O)c1cn(C)nc1Cl)C(=O)[O-]	ZINC001588860376	984412728	/nfs/dbraw/zinc/41/27/28/984412728.db2.gz	SJIDWZGUWCDITE-QMMMGPOBSA-N	-1	0	287.703	0.459	20	30		CCEDRM
C=CCOC[C@@H](NC(=O)c1cnc2nccn2c1)C(=O)[O-]	ZINC001588860590	984414164	/nfs/dbraw/zinc/41/41/64/984414164.db2.gz	ZSFWAIKMBHRKGC-SNVBAGLBSA-N	-1	0	290.279	0.115	20	30		CCEDRM
C=CCOC[C@@H](NC(=O)c1ccc(C(N)=O)cc1)C(=O)[O-]	ZINC001588861166	984414595	/nfs/dbraw/zinc/41/45/95/984414595.db2.gz	BHUNZLPIVFRLHC-LLVKDONJSA-N	-1	0	292.291	0.171	20	30		CCEDRM
C=CCOC[C@H](NC(=O)c1ccc(C(N)=O)s1)C(=O)[O-]	ZINC001588861508	984415489	/nfs/dbraw/zinc/41/54/89/984415489.db2.gz	HYWBTVYTAOFRTQ-ZETCQYMHSA-N	-1	0	298.320	0.233	20	30		CCEDRM
C=CCOCCCNC(=O)C(=O)N(C)[C@H]1C[C@@H](C(=O)[O-])C1	ZINC001588867119	984430499	/nfs/dbraw/zinc/43/04/99/984430499.db2.gz	ZAFHRACZXCADLN-PHIMTYICSA-N	-1	0	298.339	0.017	20	30		CCEDRM
C=CCOCc1nnc(N2CCO[C@@H](CC(=O)[O-])C2)n1C	ZINC001588868610	984434157	/nfs/dbraw/zinc/43/41/57/984434157.db2.gz	MQNLIUFHDRAVTI-JTQLQIEISA-N	-1	0	296.327	0.198	20	30		CCEDRM
C=CCn1c(COC)nnc1N1CC[C@@](OC)(C(=O)[O-])C1	ZINC001588900628	984521188	/nfs/dbraw/zinc/52/11/88/984521188.db2.gz	IXDZLRJXQWRPJO-ZDUSSCGKSA-N	-1	0	296.327	0.290	20	30		CCEDRM
C=CCn1cc(C(=O)N(C)[C@@H](COC(C)C)C(=O)[O-])nn1	ZINC001588910373	984548967	/nfs/dbraw/zinc/54/89/67/984548967.db2.gz	UUVPHHIKJJQTJA-NSHDSACASA-N	-1	0	296.327	0.414	20	30		CCEDRM
C=C[C@@H]1OCC[C@H]1C(=O)Nc1cnn(CC(=O)[O-])c1C	ZINC001588916636	984562316	/nfs/dbraw/zinc/56/23/16/984562316.db2.gz	WNGQOMMTGVIJLH-KOLCDFICSA-N	-1	0	279.296	0.806	20	30		CCEDRM
C=C[C@@H]1OCC[C@H]1C(=O)N1C[C@H]2COCC[C@@]2(C(=O)[O-])C1	ZINC001588916738	984562896	/nfs/dbraw/zinc/56/28/96/984562896.db2.gz	BWNBLTQAGRCPRB-OZTPJHRESA-N	-1	0	295.335	0.527	20	30		CCEDRM
C=C[C@@H]1OCC[C@H]1C(=O)N1CCSC[C@H]1C(=O)[O-]	ZINC001588917266	984565868	/nfs/dbraw/zinc/56/58/68/984565868.db2.gz	SVRPNCLMWBXOJV-UTLUCORTSA-N	-1	0	271.338	0.606	20	30		CCEDRM
CC#CCNc1ccc(C(=O)[O-])cc1OCC(=O)NC	ZINC001588931960	984604629	/nfs/dbraw/zinc/60/46/29/984604629.db2.gz	HOPCSETZCOTSFO-UHFFFAOYSA-N	-1	0	276.292	0.945	20	30		CCEDRM
C/C(=C\CNC(=O)N1C[C@H](C)N(CC#N)[C@@H](C)C1)C(=O)[O-]	ZINC001588969801	984782850	/nfs/dbraw/zinc/78/28/50/984782850.db2.gz	XRLIGBDDQOBBPE-FDZLHUOSSA-N	-1	0	294.355	0.645	20	30		CCEDRM
CCO[C@H](C)c1noc(CN(CC#N)CCC(=O)[O-])n1	ZINC001596774316	985200990	/nfs/dbraw/zinc/20/09/90/985200990.db2.gz	DELCQNAMVDRNII-SECBINFHSA-N	-1	0	282.300	0.967	20	30		CCEDRM
CCOC[C@@H](C(=O)[O-])N(C)S(=O)(=O)CC(C)(C)C#N	ZINC001596884557	985772817	/nfs/dbraw/zinc/77/28/17/985772817.db2.gz	LSWKRYSAUQCDRB-VIFPVBQESA-N	-1	0	292.357	0.287	20	30		CCEDRM
C[C@@H](C#N)CN(C)C(=O)C(=O)N1CCC[C@@H]1CC(=O)[O-]	ZINC001589329892	986167885	/nfs/dbraw/zinc/16/78/85/986167885.db2.gz	VPKSKOVGRBQDQD-VHSXEESVSA-N	-1	0	281.312	0.070	20	30		CCEDRM
C[C@@H](C#N)CNC(=O)N[C@H]1C[C@H]2C[C@@H](C(=O)[O-])C[C@H]21	ZINC001589330684	986177075	/nfs/dbraw/zinc/17/70/75/986177075.db2.gz	NKCFYAAUNYGRIR-LXUNUROVSA-N	-1	0	265.313	0.945	20	30		CCEDRM
C[C@H](C#N)CN1C(=O)[C@@H]2CC[C@H](C(=O)[O-])CN2C1=O	ZINC001589330915	986180645	/nfs/dbraw/zinc/18/06/45/986180645.db2.gz	UVHDFFYYPCVLJJ-VGMNWLOBSA-N	-1	0	265.269	0.273	20	30		CCEDRM
C[C@H](C#N)CN(C)S(=O)(=O)c1cccnc1C(=O)[O-]	ZINC001589330904	986180725	/nfs/dbraw/zinc/18/07/25/986180725.db2.gz	ULTGCHADORJQLC-MRVPVSSYSA-N	-1	0	283.309	0.560	20	30		CCEDRM
C[C@@H](C(=O)NCC(=O)[O-])N1CCC[C@@H](CC#N)C1	ZINC001589396654	986524088	/nfs/dbraw/zinc/52/40/88/986524088.db2.gz	IYGRSLFYEFUVIH-UWVGGRQHSA-N	-1	0	253.302	0.201	20	30		CCEDRM
C[C@@H](C(=O)[O-])N(C(=O)[C@H](C)n1cnc(C#N)n1)C1CCC1	ZINC001589468667	986933260	/nfs/dbraw/zinc/93/32/60/986933260.db2.gz	LPKBVPXRMMVPFD-IUCAKERBSA-N	-1	0	291.311	0.565	20	30		CCEDRM
CCC(=O)C1(C(=O)N2CCC(C#N)(C(=O)[O-])CC2)CC1	ZINC001594693950	987105195	/nfs/dbraw/zinc/10/51/95/987105195.db2.gz	IYXXQZSEXBSKFK-UHFFFAOYSA-N	-1	0	278.308	0.963	20	30		CCEDRM
CC[C@H](C#N)C(=O)N[C@@H](Cc1cncs1)C(=O)[O-]	ZINC001594722192	987210093	/nfs/dbraw/zinc/21/00/93/987210093.db2.gz	LHHIEJWNJGOWGP-APPZFPTMSA-N	-1	0	267.310	0.805	20	30		CCEDRM
CC(C)(C)[C@H](C#N)NC(=O)Cn1cc(C(=O)[O-])cn1	ZINC001589699741	987787569	/nfs/dbraw/zinc/78/75/69/987787569.db2.gz	QATDNLHYADMEPB-VIFPVBQESA-N	-1	0	264.285	0.636	20	30		CCEDRM
C[C@@H](NC(=O)[C@@H](C#N)Cc1ccc(C#N)cc1)C(=O)[O-]	ZINC001599837467	988767039	/nfs/dbraw/zinc/76/70/39/988767039.db2.gz	JRUXQODFLWSFHF-BXKDBHETSA-N	-1	0	271.276	0.830	20	30		CCEDRM
C[C@@H]1CN(C(=O)NCC2(CC#N)CC2)C[C@@H](C(=O)[O-])O1	ZINC001599855651	989083466	/nfs/dbraw/zinc/08/34/66/989083466.db2.gz	GKTTVBOWLQQVOL-ZJUUUORDSA-N	-1	0	281.312	0.564	20	30		CCEDRM
CN(C(=O)[C@@H](O)c1ccc(C#N)cc1)[C@H]1C[C@@H](C(=O)[O-])C1	ZINC001597991665	990097178	/nfs/dbraw/zinc/09/71/78/990097178.db2.gz	SHEQIDUIURTCQI-XQQFMLRXSA-N	-1	0	288.303	0.913	20	30		CCEDRM
CC(C)(CC(=O)[O-])C(=O)OCC(=O)N[C@](C)(C#N)C1CC1	ZINC001590625165	990306956	/nfs/dbraw/zinc/30/69/56/990306956.db2.gz	GMKKYMQNHSIJDB-CQSZACIVSA-N	-1	0	296.323	0.839	20	30		CCEDRM
CN(C)C[C@@](C)(C#N)NC(=O)c1csc(C(=O)[O-])n1	ZINC001598199569	990808163	/nfs/dbraw/zinc/80/81/63/990808163.db2.gz	LBMAGITWOHGHOS-LLVKDONJSA-N	-1	0	282.325	0.415	20	30		CCEDRM
CC(C)[C@](C)(C#N)NC(=O)[C@H]1CC[C@@H](C(=O)[O-])O1	ZINC001590960395	991051432	/nfs/dbraw/zinc/05/14/32/991051432.db2.gz	CYOUCDTTWMTIHQ-PTRXPTGYSA-N	-1	0	254.286	0.673	20	30		CCEDRM
CC(C)[C@](C)(C#N)NC(=O)Cn1nc(C(=O)[O-])nc1Cl	ZINC001590961139	991055408	/nfs/dbraw/zinc/05/54/08/991055408.db2.gz	LWKVLSSGAZBLEQ-NSHDSACASA-N	-1	0	299.718	0.684	20	30		CCEDRM
CC(C)[C@H](O)CCn1cc(C(=O)[O-])cc(C#N)c1=O	ZINC001591041145	991386398	/nfs/dbraw/zinc/38/63/98/991386398.db2.gz	MOJHKBRSIJHVHL-LLVKDONJSA-N	-1	0	264.281	0.825	20	30		CCEDRM
CN(CC#N)S(=O)(=O)c1csc(C(=O)[O-])c1	ZINC001598376308	991565103	/nfs/dbraw/zinc/56/51/03/991565103.db2.gz	QIBGUOJJMIMBGS-UHFFFAOYSA-N	-1	0	260.296	0.590	20	30		CCEDRM
CN(CC(=O)N1CCC(C(=O)[O-])CC1)[C@H]1CCC[C@@H]1C#N	ZINC001598378891	991570614	/nfs/dbraw/zinc/57/06/14/991570614.db2.gz	GPHCTEAXUPPGIA-OLZOCXBDSA-N	-1	0	293.367	0.934	20	30		CCEDRM
CN(CC(C)(C)C#N)S(=O)(=O)c1n[nH]cc1C(=O)[O-]	ZINC001598419141	991751771	/nfs/dbraw/zinc/75/17/71/991751771.db2.gz	CONJTJZTPPNTKS-UHFFFAOYSA-N	-1	0	286.313	0.278	20	30		CCEDRM
COC(=O)[C@@H](CC(=O)[O-])NC(=O)c1cc(C)c(C#N)cn1	ZINC001598693958	995106988	/nfs/dbraw/zinc/10/69/88/995106988.db2.gz	QLGKEBKYQCTGQJ-SNVBAGLBSA-N	-1	0	291.263	0.008	20	30		CCEDRM
COC(=O)[C@H](CC(=O)[O-])NC(=O)c1cc(C)c(C#N)cn1	ZINC001598693957	995107317	/nfs/dbraw/zinc/10/73/17/995107317.db2.gz	QLGKEBKYQCTGQJ-JTQLQIEISA-N	-1	0	291.263	0.008	20	30		CCEDRM
COC(=O)C1(C#N)CCN(C/C(C)=C/C(=O)[O-])CC1	ZINC001598716562	995417325	/nfs/dbraw/zinc/41/73/25/995417325.db2.gz	MVBXAFQRVZKOJE-JXMROGBWSA-N	-1	0	266.297	0.796	20	30		CCEDRM
COC(=O)C1(NC(=O)CC#N)CCC(C(=O)[O-])CC1	ZINC001598722182	995493299	/nfs/dbraw/zinc/49/32/99/995493299.db2.gz	PWJSJJHKFPJURO-UHFFFAOYSA-N	-1	0	268.269	0.203	20	30		CCEDRM
C[C@H](OC(=O)c1ccc(C#N)cc1)C(=O)NCC(=O)[O-]	ZINC001593573418	995673096	/nfs/dbraw/zinc/67/30/96/995673096.db2.gz	UAGBLECRQJMVKD-QMMMGPOBSA-N	-1	0	276.248	0.304	20	30		CCEDRM
C[C@@H](OC(=O)c1sccc1C#N)C(=O)C(=O)[O-]	ZINC001593601089	995755043	/nfs/dbraw/zinc/75/50/43/995755043.db2.gz	GIQQRDMRGKYHDX-RXMQYKEDSA-N	-1	0	253.235	0.819	20	30		CCEDRM
COC(=O)[C@@H]1CN(C[C@H](C#N)CCC#N)C[C@@H]1C(=O)[O-]	ZINC001598823729	996358862	/nfs/dbraw/zinc/35/88/62/996358862.db2.gz	WYQAMLOAHJPUAR-GARJFASQSA-N	-1	0	279.296	0.236	20	30		CCEDRM
C[C@]1(C#N)CN([C@H]2CCCN(CCC(=O)[O-])C2=O)CCO1	ZINC001593743327	996367120	/nfs/dbraw/zinc/36/71/20/996367120.db2.gz	NLABYWHMHBMSTJ-FZMZJTMJSA-N	-1	0	295.339	0.067	20	30		CCEDRM
COC(=O)[C@H]1CN(c2ccc(C)nc2C#N)C[C@@H]1C(=O)[O-]	ZINC001598830030	996426279	/nfs/dbraw/zinc/42/62/79/996426279.db2.gz	WUQBRIDKBHFLPF-UWVGGRQHSA-N	-1	0	289.291	0.572	20	30		CCEDRM
COC(=O)C[C@@H](C)CC(=O)N(CC#N)CCC(=O)[O-]	ZINC001598835203	996477671	/nfs/dbraw/zinc/47/76/71/996477671.db2.gz	DRBRNIXPPQVGOP-VIFPVBQESA-N	-1	0	270.285	0.403	20	30		CCEDRM
COC(=O)C[C@H](NC(=O)c1ccc(C#N)c(O)c1)C(=O)[O-]	ZINC001598838055	996502459	/nfs/dbraw/zinc/50/24/59/996502459.db2.gz	IWLSRDQNQCHCCN-VIFPVBQESA-N	-1	0	292.247	0.010	20	30		CCEDRM
COC(=O)C[C@@H](NC(=O)c1cc(C)c(C#N)cn1)C(=O)[O-]	ZINC001598841692	996530595	/nfs/dbraw/zinc/53/05/95/996530595.db2.gz	QLQWNIAHLULHDQ-SNVBAGLBSA-N	-1	0	291.263	0.008	20	30		CCEDRM
COC(=O)C[C@H](NC(=O)c1cc(C)c(C#N)cn1)C(=O)[O-]	ZINC001598841689	996530602	/nfs/dbraw/zinc/53/06/02/996530602.db2.gz	QLQWNIAHLULHDQ-JTQLQIEISA-N	-1	0	291.263	0.008	20	30		CCEDRM
CC1(C(N)=O)CN([C@@H](C(=O)[O-])c2ccc(C#N)cc2)C1	ZINC001593815341	996549175	/nfs/dbraw/zinc/54/91/75/996549175.db2.gz	IZXPTAFIUJGIEN-LLVKDONJSA-N	-1	0	273.292	0.491	20	30		CCEDRM
COC(=O)CN(CC#N)C(=O)Cc1ccccc1C(=O)[O-]	ZINC001598860496	996670796	/nfs/dbraw/zinc/67/07/96/996670796.db2.gz	DIEJDJSPBDVWIJ-UHFFFAOYSA-N	-1	0	290.275	0.452	20	30		CCEDRM
COC[C@H](NC(=O)c1cc(C#N)[nH]c1C)C(=O)[O-]	ZINC001599174775	996821151	/nfs/dbraw/zinc/82/11/51/996821151.db2.gz	SMUDYMRHPFFRPL-VIFPVBQESA-N	-1	0	251.242	0.024	20	30		CCEDRM
CO[C@]1(C(=O)[O-])CCN(c2ncc(C#N)cc2F)C1	ZINC001599077963	996922504	/nfs/dbraw/zinc/92/25/04/996922504.db2.gz	NPFPIIFCRHUGKQ-GFCCVEGCSA-N	-1	0	265.244	0.772	20	30		CCEDRM
CO[C@@H]1CCN(C(=O)c2ccc(C#N)[nH]2)[C@H](C(=O)[O-])C1	ZINC001599119241	997709540	/nfs/dbraw/zinc/70/95/40/997709540.db2.gz	BEVYZQLTSLWLHW-KOLCDFICSA-N	-1	0	277.280	0.591	20	30		CCEDRM
CO[C@@H]1CCN(C(=O)c2ccc(C#N)nc2)[C@H](C(=O)[O-])C1	ZINC001599119681	997716032	/nfs/dbraw/zinc/71/60/32/997716032.db2.gz	GTBILUXRJVRKGY-NEPJUHHUSA-N	-1	0	289.291	0.657	20	30		CCEDRM
COCCCC(=O)N1CCC(C#N)(C(=O)[O-])CC1	ZINC001599224395	997731581	/nfs/dbraw/zinc/73/15/81/997731581.db2.gz	PCWBTKNTLNZLGD-UHFFFAOYSA-N	-1	0	254.286	0.630	20	30		CCEDRM
CC1(NC(=O)[C@@H]2C[C@H]2C(=O)[O-])CCN(CC#N)CC1	ZINC001594053685	997774602	/nfs/dbraw/zinc/77/46/02/997774602.db2.gz	WFNJNYVGLVZDQK-NXEZZACHSA-N	-1	0	265.313	0.201	20	30		CCEDRM
COCCN(CC#N)C(=O)[C@@H]1CCC[C@@H](C(=O)[O-])C1	ZINC001599230850	997850728	/nfs/dbraw/zinc/85/07/28/997850728.db2.gz	DCOOESPJUQQYNP-GHMZBOCLSA-N	-1	0	268.313	0.876	20	30		CCEDRM
COCCN(CC#N)C(=O)[C@H]1CC[C@@H](CCC(=O)[O-])O1	ZINC001599230863	997851401	/nfs/dbraw/zinc/85/14/01/997851401.db2.gz	DHZXGMWEBRKFQI-WDEREUQCSA-N	-1	0	284.312	0.397	20	30		CCEDRM
CO[C@@H]1CN(C(=O)c2cc(C#N)[nH]c2C)[C@](C)(C(=O)[O-])C1	ZINC001599129922	997923174	/nfs/dbraw/zinc/92/31/74/997923174.db2.gz	JWEZWHQGVCJDBJ-HZMBPMFUSA-N	-1	0	291.307	0.899	20	30		CCEDRM
COCC#CC(=O)N[C@@H](C(=O)[O-])c1ccc(OC)c(O)c1	ZINC001599138500	998085825	/nfs/dbraw/zinc/08/58/25/998085825.db2.gz	NHDHPPGASAEYGX-CYBMUJFWSA-N	-1	0	293.275	0.293	20	30		CCEDRM
COCC#CC(=O)N(C)[C@@H](COC1CCC1)C(=O)[O-]	ZINC001599139368	998099673	/nfs/dbraw/zinc/09/96/73/998099673.db2.gz	WAMMAHPALXVEDO-NSHDSACASA-N	-1	0	269.297	0.117	20	30		CCEDRM
COCC#CC(=O)NC1(CC(=O)[O-])CCCCC1	ZINC001599139895	998110816	/nfs/dbraw/zinc/11/08/16/998110816.db2.gz	ZRGJLQYZEUGMHM-UHFFFAOYSA-N	-1	0	253.298	0.930	20	30		CCEDRM
COC[C@@](C)(CC(=O)[O-])NC(=O)c1ncc(C#N)cc1C	ZINC001599149470	998270417	/nfs/dbraw/zinc/27/04/17/998270417.db2.gz	ZJEQRGPJCGFSNB-CQSZACIVSA-N	-1	0	291.307	0.871	20	30		CCEDRM
COc1ccc(C#N)cc1NC(=O)N1CC(O)(C(=O)[O-])C1	ZINC001599476797	998546183	/nfs/dbraw/zinc/54/61/83/998546183.db2.gz	NUFQIPFXUICPEF-UHFFFAOYSA-N	-1	0	291.263	0.230	20	30		CCEDRM
COC[C@@H](NC(=O)c1cc(O)cc(C#N)c1)C(=O)[O-]	ZINC001599171534	998615683	/nfs/dbraw/zinc/61/56/83/998615683.db2.gz	HQQBFLLHPAUZSE-SNVBAGLBSA-N	-1	0	264.237	0.093	20	30		CCEDRM
C[C@@H]1C[C@@H](C(=O)N2CCC(C#N)(C(=O)[O-])CC2)CO1	ZINC001594201331	998778316	/nfs/dbraw/zinc/77/83/16/998778316.db2.gz	HKOFAMQQTRSSSO-NXEZZACHSA-N	-1	0	266.297	0.628	20	30		CCEDRM
COC(CN(CCC(=O)[O-])C(=O)[C@H](C)C#N)OC	ZINC001599046114	999151553	/nfs/dbraw/zinc/15/15/53/999151553.db2.gz	BHYBADRQEDOXGY-MRVPVSSYSA-N	-1	0	258.274	0.068	20	30		CCEDRM
CO[C@H](CN(CC#N)CCC(=O)[O-])[C@@H]1CCOC1	ZINC001599046258	999152448	/nfs/dbraw/zinc/15/24/48/999152448.db2.gz	CXSRPRLXOQJTMA-GHMZBOCLSA-N	-1	0	256.302	0.338	20	30		CCEDRM
C/C=C\CNC(=O)C(=O)N=c1[n-]n(C(C)(C)C)cc1C#N	ZINC000600068681	361860138	/nfs/dbraw/zinc/86/01/38/361860138.db2.gz	IDDVCJVCEJVVJN-WAYWQWQTSA-N	-1	0	289.339	0.562	20	30		CCEDRM
Cc1ncc(S(=O)(=O)[N-]c2c(C#N)cnn2C)n1C	ZINC000600666855	362027804	/nfs/dbraw/zinc/02/78/04/362027804.db2.gz	HSPFBMGLUMVBKF-UHFFFAOYSA-N	-1	0	280.313	0.135	20	30		CCEDRM
Cn1cc([N+](=O)[O-])c(S(=O)(=O)[N-][C@]2(C#N)CC2(C)C)n1	ZINC000600669082	362028835	/nfs/dbraw/zinc/02/88/35/362028835.db2.gz	VDTVUMAUUVKZTI-JTQLQIEISA-N	-1	0	299.312	0.299	20	30		CCEDRM
C[C@H](C#N)CN(C1CC1)S(=O)(=O)c1ncc[n-]1	ZINC000601378278	362250265	/nfs/dbraw/zinc/25/02/65/362250265.db2.gz	QZFUWNFJYRCRFZ-MRVPVSSYSA-N	-1	0	254.315	0.722	20	30		CCEDRM
CN=c1[n-]nc(CC(=O)N(C)CC(C)(C)C#N)s1	ZINC000353288707	529834302	/nfs/dbraw/zinc/83/43/02/529834302.db2.gz	LPYQLKDTHUEQOA-UHFFFAOYSA-N	-1	0	267.358	0.552	20	30		CCEDRM
N#Cc1cc(F)c(S(=O)(=O)[N-][C@H]2C[C@@H](O)C2)c(F)c1	ZINC000601433765	362271831	/nfs/dbraw/zinc/27/18/31/362271831.db2.gz	IVNILTAQYSXKJK-OCAPTIKFSA-N	-1	0	288.275	0.638	20	30		CCEDRM
CC(C)[C@@H](NS(=O)(=O)c1ccc(C#N)nc1)C(=O)[O-]	ZINC000127104087	187281903	/nfs/dbraw/zinc/28/19/03/187281903.db2.gz	MJIUHKVVOWCEKZ-SNVBAGLBSA-N	-1	0	283.309	0.341	20	30		CCEDRM
N#Cc1c[n-][nH]c1=NC(=O)[C@@H]1CCN(CC(F)(F)F)C1	ZINC000601640538	362336921	/nfs/dbraw/zinc/33/69/21/362336921.db2.gz	ZHKJWISLQVPYNJ-SSDOTTSWSA-N	-1	0	287.245	0.526	20	30		CCEDRM
Cn1cc(C(=O)N=c2[nH][n-]cc2C#N)c(C2CCC2)n1	ZINC000601635793	362334045	/nfs/dbraw/zinc/33/40/45/362334045.db2.gz	BTSMSBGRRBBMGV-UHFFFAOYSA-N	-1	0	270.296	0.957	20	30		CCEDRM
N#Cc1cn(CCC(=O)N2CCCCCC2)c(=O)[n-]c1=O	ZINC000602028991	362463881	/nfs/dbraw/zinc/46/38/81/362463881.db2.gz	CCZXMIFQUCWSSJ-UHFFFAOYSA-N	-1	0	290.323	0.613	20	30		CCEDRM
CCC1CCN(C(=O)Cn2cc(C#N)c(=O)[n-]c2=O)CC1	ZINC000602074714	362471929	/nfs/dbraw/zinc/47/19/29/362471929.db2.gz	RPQGCPASYVSRDP-UHFFFAOYSA-N	-1	0	290.323	0.469	20	30		CCEDRM
N#CCN(C(=O)CCCc1nnn[n-]1)C1CCCC1	ZINC000602101755	362488340	/nfs/dbraw/zinc/48/83/40/362488340.db2.gz	COLGFNNZSHFDLO-UHFFFAOYSA-N	-1	0	262.317	0.817	20	30		CCEDRM
CC[C@@H]1CCN(C(=O)CCn2cc(C#N)c(=O)[n-]c2=O)C1	ZINC000602111584	362495180	/nfs/dbraw/zinc/49/51/80/362495180.db2.gz	ABAIYKAPSMQJRJ-SNVBAGLBSA-N	-1	0	290.323	0.469	20	30		CCEDRM
CC[C@@H]1CCN(C(=O)Cn2cc(C#N)c(=O)[n-]c2=O)C1	ZINC000602111590	362495096	/nfs/dbraw/zinc/49/50/96/362495096.db2.gz	ACMCROQKMZCFNI-SECBINFHSA-N	-1	0	276.296	0.079	20	30		CCEDRM
CC(C)CCc1noc(Cn2c(=O)[n-]cc(C#N)c2=O)n1	ZINC000515383009	534979751	/nfs/dbraw/zinc/97/97/51/534979751.db2.gz	KZKNRUDANNWSFS-UHFFFAOYSA-N	-1	0	289.295	0.428	20	30		CCEDRM
N#Cc1cn(CC(=O)N2C[C@H]3CCC[C@@H]3C2)c(=O)[n-]c1=O	ZINC000602118357	362501377	/nfs/dbraw/zinc/50/13/77/362501377.db2.gz	KRXXVSZNMOZYCF-NXEZZACHSA-N	-1	0	288.307	0.079	20	30		CCEDRM
C[C@@H]1CCN(C(=O)Cn2cc(C#N)c(=O)[n-]c2=O)C[C@H]1C	ZINC000602134188	362513256	/nfs/dbraw/zinc/51/32/56/362513256.db2.gz	TYEXFGBHAKGDIT-NXEZZACHSA-N	-1	0	290.323	0.325	20	30		CCEDRM
C[C@@H]1CCN(C(=O)Cn2cc(C#N)c(=O)[n-]c2=O)C[C@@H]1F	ZINC000602147083	362523967	/nfs/dbraw/zinc/52/39/67/362523967.db2.gz	YSPDRJZRKXMIDZ-SCZZXKLOSA-N	-1	0	294.286	0.027	20	30		CCEDRM
C[C@@H]1CN(C(=O)CCn2cc(C#N)c(=O)[n-]c2=O)[C@@H]1C	ZINC000602154247	362529553	/nfs/dbraw/zinc/52/95/53/362529553.db2.gz	BBODHJMAIDOQHH-RKDXNWHRSA-N	-1	0	276.296	0.077	20	30		CCEDRM
Cn1cc(C#N)c(=NC(=O)N[C@H](C(N)=O)c2ccccc2)[n-]1	ZINC000617995363	365865028	/nfs/dbraw/zinc/86/50/28/365865028.db2.gz	XUHJBLVIZXTAPI-NSHDSACASA-N	-1	0	298.306	0.062	20	30		CCEDRM
Cc1[nH]nc([N-]S(=O)(=O)c2ccc(C#N)nc2)c1C#N	ZINC000185647576	136908810	/nfs/dbraw/zinc/90/88/10/136908810.db2.gz	ICJHIORMEVKRLR-UHFFFAOYSA-N	-1	0	288.292	0.657	20	30		CCEDRM
N#Cc1ccc(OCC(=O)N2CC[C@@](F)(C(=O)[O-])C2)cc1	ZINC000262880553	137055092	/nfs/dbraw/zinc/05/50/92/137055092.db2.gz	YYQAYUPOAKKDMM-AWEZNQCLSA-N	-1	0	292.266	0.962	20	30		CCEDRM
C[C@@](O)(CNc1ccc(Cl)c(C#N)n1)C(=O)[O-]	ZINC000263550897	137068289	/nfs/dbraw/zinc/06/82/89/137068289.db2.gz	KULCHEGMFJKWAO-SNVBAGLBSA-N	-1	0	255.661	0.854	20	30		CCEDRM
C[C@](O)(CNc1cc(C#N)ccc1[N+](=O)[O-])C(=O)[O-]	ZINC000263569682	137068982	/nfs/dbraw/zinc/06/89/82/137068982.db2.gz	ZNFSREVEPMVCNV-NSHDSACASA-N	-1	0	265.225	0.714	20	30		CCEDRM
N#Cc1ccc(S(=O)(=O)[N-]c2ncc(C(N)=O)s2)o1	ZINC000342453348	137094890	/nfs/dbraw/zinc/09/48/90/137094890.db2.gz	SQOPGMFMBYVRGV-UHFFFAOYSA-N	-1	0	298.305	0.507	20	30		CCEDRM
CC1(NS(=O)(=O)c2ccc(C#N)o2)CCCOC1	ZINC000344724456	137209691	/nfs/dbraw/zinc/20/96/91/137209691.db2.gz	NAHYLRAIKIJDBK-LLVKDONJSA-N	-1	0	270.310	0.999	20	30		CCEDRM
Cn1cc(C#N)c(=NC(=O)N[C@@H]2COC(C)(C)C2)[n-]1	ZINC000602885421	362864163	/nfs/dbraw/zinc/86/41/63/362864163.db2.gz	DTBKJDQWSHPFBA-VIFPVBQESA-N	-1	0	263.301	0.403	20	30		CCEDRM
CC[C@H]1C[C@@H](NC(=O)N=c2[n-]n(C)cc2C#N)CCO1	ZINC000602885601	362864421	/nfs/dbraw/zinc/86/44/21/362864421.db2.gz	GOVLPSBOXFXSHC-QWRGUYRKSA-N	-1	0	277.328	0.793	20	30		CCEDRM
Cn1cc(C#N)c(=NC(=O)N2CCO[C@](C)(C(F)F)C2)[n-]1	ZINC000602887777	362867189	/nfs/dbraw/zinc/86/71/89/362867189.db2.gz	SJMNRCQTFUKJGD-LBPRGKRZSA-N	-1	0	299.281	0.602	20	30		CCEDRM
N#Cc1cscc1C(=O)NCCc1n[n-]c(=N)o1	ZINC000348797106	137377468	/nfs/dbraw/zinc/37/74/68/137377468.db2.gz	OBKBWOFDSHJPFF-UHFFFAOYSA-N	-1	0	263.282	0.388	20	30		CCEDRM
C[C@H](CNS(=O)(=O)c1cccc(C#N)c1)C(=O)[O-]	ZINC000054333748	348550877	/nfs/dbraw/zinc/55/08/77/348550877.db2.gz	JBGOUISIWUEXQD-MRVPVSSYSA-N	-1	0	268.294	0.557	20	30		CCEDRM
CNC(=O)[C@@H](C)NS(=O)(=O)c1ccc(F)cc1C#N	ZINC000125709663	350128314	/nfs/dbraw/zinc/12/83/14/350128314.db2.gz	CJGBVVFIXICARA-SSDOTTSWSA-N	-1	0	285.300	0.110	20	30		CCEDRM
N#C[C@H]1CN(C(=O)NCC2(C(=O)[O-])CCC2)CCO1	ZINC000138696910	350443681	/nfs/dbraw/zinc/44/36/81/350443681.db2.gz	DBPOCYRGAMFTTA-VIFPVBQESA-N	-1	0	267.285	0.175	20	30		CCEDRM
N#Cc1ccsc1C(=O)NCCCc1nc(=O)[n-][nH]1	ZINC000176265879	351166067	/nfs/dbraw/zinc/16/60/67/351166067.db2.gz	WQNBKHKHGUDEGP-UHFFFAOYSA-N	-1	0	277.309	0.394	20	30		CCEDRM
N#Cc1c[nH]c(C(=O)NCc2ccc(-c3nn[nH]n3)cc2)c1	ZINC000175602554	351136583	/nfs/dbraw/zinc/13/65/83/351136583.db2.gz	ZAWVDWFZORIEBA-UHFFFAOYSA-N	-1	0	293.290	0.996	20	30		CCEDRM
C[C@@H](C(=O)[O-])N(C)S(=O)(=O)c1ccc(C#N)s1	ZINC000230324443	352111589	/nfs/dbraw/zinc/11/15/89/352111589.db2.gz	DHMZQHNMIJBEJW-LURJTMIESA-N	-1	0	274.323	0.713	20	30		CCEDRM
CCc1cnc(C[N-]S(=O)(=O)c2cccnc2C#N)o1	ZINC000234248076	352156299	/nfs/dbraw/zinc/15/62/99/352156299.db2.gz	IXXCGBDFWVZPDB-UHFFFAOYSA-N	-1	0	292.320	0.982	20	30		CCEDRM
Cc1cc(S(=O)(=O)N(C)[C@H](C)C(=O)[O-])ccc1C#N	ZINC000235176851	352181239	/nfs/dbraw/zinc/18/12/39/352181239.db2.gz	ZLQBIFNPASEVDF-SECBINFHSA-N	-1	0	282.321	0.960	20	30		CCEDRM
C=CCCOCC(=O)N1CCC(COC)(C(=O)[O-])CC1	ZINC000684541649	545700727	/nfs/dbraw/zinc/70/07/27/545700727.db2.gz	OSMXRAJEDSOMMZ-UHFFFAOYSA-N	-1	0	285.340	0.919	20	30		CCEDRM
C=CCCS(=O)(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)[O-]	ZINC000274936024	353174359	/nfs/dbraw/zinc/17/43/59/353174359.db2.gz	PZFZNLICVOVWMU-LBPRGKRZSA-N	-1	0	299.348	0.883	20	30		CCEDRM
CC#CC[C@@H](NS(=O)(=O)c1ccc(N)cc1)C(=O)[O-]	ZINC000275052093	353181664	/nfs/dbraw/zinc/18/16/64/353181664.db2.gz	SNQAMHRWGFWRRC-LLVKDONJSA-N	-1	0	282.321	0.414	20	30		CCEDRM
CC#CCNC(=O)C(C)(C)[N-]C(=O)C(F)(F)F	ZINC000277279668	353234178	/nfs/dbraw/zinc/23/41/78/353234178.db2.gz	ICYWUOHGCCKDKC-UHFFFAOYSA-N	-1	0	250.220	0.583	20	30		CCEDRM
C[C@@H](CCCC(=O)[O-])NS(=O)(=O)c1cncc(C#N)c1	ZINC000290453989	353728069	/nfs/dbraw/zinc/72/80/69/353728069.db2.gz	CWXXBDLTXIVPDD-VIFPVBQESA-N	-1	0	297.336	0.875	20	30		CCEDRM
CC(C)n1cc(S(=O)(=O)[N-]c2n[nH]cc2C#N)cn1	ZINC000160951442	188499618	/nfs/dbraw/zinc/49/96/18/188499618.db2.gz	YDQCUIDPBRHIJI-UHFFFAOYSA-N	-1	0	280.313	0.860	20	30		CCEDRM
CC(C)(C)[C@H](NS(=O)(=O)c1cncc(C#N)c1)C(=O)[O-]	ZINC000290717653	353744787	/nfs/dbraw/zinc/74/47/87/353744787.db2.gz	UOZGAAUBEDYVDN-SNVBAGLBSA-N	-1	0	297.336	0.731	20	30		CCEDRM
CC(C)(C#N)C(=O)Nc1nnc([N-]S(C)(=O)=O)s1	ZINC000344188132	355788884	/nfs/dbraw/zinc/78/88/84/355788884.db2.gz	OAXQHSCTCDJQPO-UHFFFAOYSA-N	-1	0	289.342	0.398	20	30		CCEDRM
CCn1ncc(C#N)c1[N-]S(=O)(=O)c1cnn(C)c1C	ZINC000427751200	235379373	/nfs/dbraw/zinc/37/93/73/235379373.db2.gz	AZMNJXXXVPYTEW-UHFFFAOYSA-N	-1	0	294.340	0.617	20	30		CCEDRM
C=CCOCCCC(=O)N(C)C[C@@H](C)c1nnn[n-]1	ZINC000273561156	192205381	/nfs/dbraw/zinc/20/53/81/192205381.db2.gz	XJCJCZWDJOGMNQ-SNVBAGLBSA-N	-1	0	267.333	0.744	20	30		CCEDRM
Cn1ncc(C(=O)N=c2ccc(C(F)(F)F)n[n-]2)c1C#N	ZINC000361858139	138036817	/nfs/dbraw/zinc/03/68/17/138036817.db2.gz	OCBDABBDMSIVRF-UHFFFAOYSA-N	-1	0	296.212	0.775	20	30		CCEDRM
Cn1cnc(C(=O)N=c2[n-]n(C(C)(C)C)cc2C#N)n1	ZINC000361913336	138038026	/nfs/dbraw/zinc/03/80/26/138038026.db2.gz	IKNXFRAMNLMNOK-UHFFFAOYSA-N	-1	0	273.300	0.312	20	30		CCEDRM
CCc1nnsc1C(=O)Nc1nc(C#N)c(C#N)[n-]1	ZINC000355052907	356561001	/nfs/dbraw/zinc/56/10/01/356561001.db2.gz	NVFZQCAGHZKZPK-UHFFFAOYSA-N	-1	0	273.281	0.819	20	30		CCEDRM
CCC(CC)(CCO)NC(=O)N=c1[n-]n(C)cc1C#N	ZINC000619789371	366354349	/nfs/dbraw/zinc/35/43/49/366354349.db2.gz	VJLZZPSCIKRZTK-UHFFFAOYSA-N	-1	0	279.344	0.776	20	30		CCEDRM
CC(C)(C)n1cnc(C(=O)Nc2nc(C#N)c(C#N)[n-]2)n1	ZINC000359981093	356930955	/nfs/dbraw/zinc/93/09/55/356930955.db2.gz	KOBWWOJEFOIAEA-UHFFFAOYSA-N	-1	0	284.283	0.752	20	30		CCEDRM
N#Cc1cccnc1[N-]S(=O)(=O)c1cnc2n1CCC2	ZINC000443138631	235853997	/nfs/dbraw/zinc/85/39/97/235853997.db2.gz	FOWRJJHNXAVKBJ-UHFFFAOYSA-N	-1	0	289.320	0.897	20	30		CCEDRM
COC[C@@H](C)[C@H](C)C(=O)N=c1[nH][n-]c(C)c1C#N	ZINC000360453098	357015505	/nfs/dbraw/zinc/01/55/05/357015505.db2.gz	BDPQPTWWISSLMR-SFYZADRCSA-N	-1	0	250.302	0.869	20	30		CCEDRM
CCN(C[C@H]1CCCO1)C(=O)N=c1[n-]n(C)cc1C#N	ZINC000610528202	363572736	/nfs/dbraw/zinc/57/27/36/363572736.db2.gz	VVLIHKYTAFBZAO-LLVKDONJSA-N	-1	0	277.328	0.746	20	30		CCEDRM
CN(Cc1ccccn1)C(=O)N=c1[n-]n(C)cc1C#N	ZINC000610527999	363572546	/nfs/dbraw/zinc/57/25/46/363572546.db2.gz	FWUXUWXYFJOBSV-UHFFFAOYSA-N	-1	0	270.296	0.773	20	30		CCEDRM
C[C@@H](Cn1ccnc1)NC(=O)N=c1[n-]n(C)cc1C#N	ZINC000610528028	363572677	/nfs/dbraw/zinc/57/26/77/363572677.db2.gz	HSFAFLQPPSNYLB-VIFPVBQESA-N	-1	0	273.300	0.120	20	30		CCEDRM
CC[C@H](C)NC(=O)CCNC(=O)N=c1[n-]n(C)cc1C#N	ZINC000610562902	363577852	/nfs/dbraw/zinc/57/78/52/363577852.db2.gz	KFTXUOVNPKGIQD-VIFPVBQESA-N	-1	0	292.343	0.140	20	30		CCEDRM
C[C@@H](CNC(=O)N=c1[n-]n(C)cc1C#N)C[C@H](C)O	ZINC000610562324	363576114	/nfs/dbraw/zinc/57/61/14/363576114.db2.gz	OTMZISGIYHRRLH-BDAKNGLRSA-N	-1	0	265.317	0.242	20	30		CCEDRM
Cc1ccccc1[C@H](CO)NC(=O)N=c1[n-]n(C)cc1C#N	ZINC000610564242	363579278	/nfs/dbraw/zinc/57/92/78/363579278.db2.gz	GOAOEVXZEUBIHO-ZDUSSCGKSA-N	-1	0	299.334	0.877	20	30		CCEDRM
C[C@H](O)C1CCN(C(=O)N=c2[n-]n(C)cc2C#N)CC1	ZINC000610564807	363578817	/nfs/dbraw/zinc/57/88/17/363578817.db2.gz	SFFZAUOKQWMCJD-VIFPVBQESA-N	-1	0	277.328	0.338	20	30		CCEDRM
COC[C@@H](C)CNC(=O)N=c1[n-]n(C)cc1C#N	ZINC000610565582	363580550	/nfs/dbraw/zinc/58/05/50/363580550.db2.gz	ZKQKYHQABOHROY-QMMMGPOBSA-N	-1	0	251.290	0.118	20	30		CCEDRM
C[C@]1(C(=O)[N-]S(=O)(=O)c2cccc(C#N)c2)CCOC1	ZINC000408453215	358102009	/nfs/dbraw/zinc/10/20/09/358102009.db2.gz	RFZFBXBWCXWOLG-ZDUSSCGKSA-N	-1	0	294.332	0.790	20	30		CCEDRM
C=CCOC[C@@H](NC(=O)NCCC1CC1)C(=O)[O-]	ZINC000684734250	545730469	/nfs/dbraw/zinc/73/04/69/545730469.db2.gz	FQPIUZIFGMIPJZ-SNVBAGLBSA-N	-1	0	256.302	0.742	20	30		CCEDRM
C[C@H](C(=O)[O-])C1CN(S(=O)(=O)CCCC#N)C1	ZINC000564785437	358559027	/nfs/dbraw/zinc/55/90/27/358559027.db2.gz	YHVJHPJQGNDKFF-QMMMGPOBSA-N	-1	0	260.315	0.272	20	30		CCEDRM
CCOC(=O)C[C@@H](C)NC(=O)N=c1[n-]n(C)cc1C#N	ZINC000610767334	363611973	/nfs/dbraw/zinc/61/19/73/363611973.db2.gz	CDWVTKFLVYVEML-MRVPVSSYSA-N	-1	0	279.300	0.177	20	30		CCEDRM
Cn1c(SCc2nc(C#N)cs2)n[n-]c1=N	ZINC000570528046	358867204	/nfs/dbraw/zinc/86/72/04/358867204.db2.gz	ZCGRSJZLTWSJKX-UHFFFAOYSA-N	-1	0	252.328	0.848	20	30		CCEDRM
C=CCCCS(=O)(=O)NC1(C(=O)[O-])CCOCC1	ZINC000571737490	358924946	/nfs/dbraw/zinc/92/49/46/358924946.db2.gz	QRLBLNHROCPTOR-UHFFFAOYSA-N	-1	0	277.342	0.506	20	30		CCEDRM
C[C@H](CN(C)S(=O)(=O)N(C)[C@H](C)CC#N)C(=O)[O-]	ZINC000571926696	358926832	/nfs/dbraw/zinc/92/68/32/358926832.db2.gz	BKJJUSNCQJIIGK-RKDXNWHRSA-N	-1	0	277.346	0.118	20	30		CCEDRM
C[C@H](CN(C)S(=O)(=O)N(C)[C@@H](C)CC#N)C(=O)[O-]	ZINC000571926693	358926877	/nfs/dbraw/zinc/92/68/77/358926877.db2.gz	BKJJUSNCQJIIGK-BDAKNGLRSA-N	-1	0	277.346	0.118	20	30		CCEDRM
C=C(C)CS(=O)(=O)N1CC[C@H](C)[C@@H](C(=O)[O-])C1	ZINC000572121720	358927921	/nfs/dbraw/zinc/92/79/21/358927921.db2.gz	NXRNFDGORBJKPR-UWVGGRQHSA-N	-1	0	261.343	0.935	20	30		CCEDRM
C=CCOC[C@H](NC(=O)N[C@@H](CC)COC)C(=O)[O-]	ZINC000573781012	358998267	/nfs/dbraw/zinc/99/82/67/358998267.db2.gz	QBIFSSHUXZXZOR-UWVGGRQHSA-N	-1	0	274.317	0.366	20	30		CCEDRM
C=CCOC[C@H](NC(=O)[C@@H]1CCO[C@@H]1C(=C)C)C(=O)[O-]	ZINC000584612375	359180283	/nfs/dbraw/zinc/18/02/83/359180283.db2.gz	UDADDNCMXGAJSK-GRYCIOLGSA-N	-1	0	283.324	0.740	20	30		CCEDRM
Cn1cc(C#N)c(=NC(=O)N2CCC[C@H]2[C@@H]2CCCO2)[n-]1	ZINC000585797459	359277071	/nfs/dbraw/zinc/27/70/71/359277071.db2.gz	YMHRHOYHIIDTGF-RYUDHWBXSA-N	-1	0	289.339	0.889	20	30		CCEDRM
C[C@@H]1COCC[C@@H]1CNC(=O)N=c1[n-]n(C)cc1C#N	ZINC000588259040	359319615	/nfs/dbraw/zinc/31/96/15/359319615.db2.gz	VJQDVBUYBVGIIS-NXEZZACHSA-N	-1	0	277.328	0.508	20	30		CCEDRM
Cn1cc(C#N)c(=NC(=O)NC[C@@H]2CCCSC2)[n-]1	ZINC000588259693	359319693	/nfs/dbraw/zinc/31/96/93/359319693.db2.gz	GAWIABYAGAUAQQ-VIFPVBQESA-N	-1	0	279.369	0.978	20	30		CCEDRM
Cn1cc(C#N)c(=NC(=O)N2CC[C@H]([C@H]3CCOC3)C2)[n-]1	ZINC000611007141	363648478	/nfs/dbraw/zinc/64/84/78/363648478.db2.gz	MVGGKGAKIVIRAB-QWRGUYRKSA-N	-1	0	289.339	0.604	20	30		CCEDRM
CC[C@H]1CN(C)CCN1C(=O)N=c1[n-]n(C)cc1C#N	ZINC000590819236	359525624	/nfs/dbraw/zinc/52/56/24/359525624.db2.gz	ARDVPHOBYQRYRM-NSHDSACASA-N	-1	0	276.344	0.272	20	30		CCEDRM
CC(C)(CCNC(=O)C(=O)N1CC[C@@](F)(C#N)C1)C(=O)[O-]	ZINC000591692087	359640568	/nfs/dbraw/zinc/64/05/68/359640568.db2.gz	TVDMCFKGHCSJOI-CYBMUJFWSA-N	-1	0	299.302	0.068	20	30		CCEDRM
N#CC1(NC(=O)c2n[nH]c(=O)[n-]c2=O)CCCCC1	ZINC000611219502	363686032	/nfs/dbraw/zinc/68/60/32/363686032.db2.gz	LPGOBCTWZJLRLC-UHFFFAOYSA-N	-1	0	263.257	0.239	20	30		CCEDRM
CC#CC[C@H](CO)NC(=O)c1ccc([N+](=O)[O-])c([O-])c1	ZINC000592925221	359983717	/nfs/dbraw/zinc/98/37/17/359983717.db2.gz	MXMKSFFODITEJO-SNVBAGLBSA-N	-1	0	278.264	0.805	20	30		CCEDRM
C[C@@H]1CC[C@H](C(=O)[O-])N1S(=O)(=O)CCCC#N	ZINC000593217370	360052311	/nfs/dbraw/zinc/05/23/11/360052311.db2.gz	IHSZUYFIBNFUJJ-RKDXNWHRSA-N	-1	0	260.315	0.557	20	30		CCEDRM
C[C@@H](C#N)CN(C)S(=O)(=O)NCC(C)(C)CC(=O)[O-]	ZINC000593256531	360056739	/nfs/dbraw/zinc/05/67/39/360056739.db2.gz	JVPATCSJWBCRMF-VIFPVBQESA-N	-1	0	291.373	0.413	20	30		CCEDRM
N#Cc1sccc1S(=O)(=O)N[C@H]1C=C[C@@H](C(=O)[O-])C1	ZINC000593258948	360057130	/nfs/dbraw/zinc/05/71/30/360057130.db2.gz	QRCRLUGXKRZLKB-SFYZADRCSA-N	-1	0	298.345	0.927	20	30		CCEDRM
N#CC1(CS(=O)(=O)NC[C@H](CC2CC2)C(=O)[O-])CC1	ZINC000593272225	360058773	/nfs/dbraw/zinc/05/87/73/360058773.db2.gz	HBDBJDKHIXJGOJ-JTQLQIEISA-N	-1	0	286.353	0.710	20	30		CCEDRM
CC[C@](C)(C#N)C(=O)N=c1ccc(C(=O)NC)n[n-]1	ZINC000593340771	360068535	/nfs/dbraw/zinc/06/85/35/360068535.db2.gz	WCBUFOJOCWHGSX-GFCCVEGCSA-N	-1	0	261.285	0.136	20	30		CCEDRM
N#Cc1ncccc1S(=O)(=O)N(CC(=O)[O-])C1CCC1	ZINC000593943902	360221176	/nfs/dbraw/zinc/22/11/76/360221176.db2.gz	GJTCVUNBXMDMPO-UHFFFAOYSA-N	-1	0	295.320	0.581	20	30		CCEDRM
CN(C[C@@H](O)C(F)(F)F)C(=O)N=c1[n-]n(C)cc1C#N	ZINC000611388902	363712729	/nfs/dbraw/zinc/71/27/29/363712729.db2.gz	ROFCXMCXKWVIRX-SSDOTTSWSA-N	-1	0	291.233	0.101	20	30		CCEDRM
CC(C)[C@@H](O)C1(CNC(=O)N=c2[n-]n(C)cc2C#N)CC1	ZINC000611433102	363718587	/nfs/dbraw/zinc/71/85/87/363718587.db2.gz	HURVXBDJUKVQRD-LLVKDONJSA-N	-1	0	291.355	0.632	20	30		CCEDRM
CC(C)[C@H](CNC(=O)NCC1(C#N)CC1)C(=O)[O-]	ZINC000594527269	360326137	/nfs/dbraw/zinc/32/61/37/360326137.db2.gz	BZCXQJPYHWIVDV-VIFPVBQESA-N	-1	0	253.302	0.946	20	30		CCEDRM
CO[C@@H](CS(=O)(=O)N[C@@H](C#N)C(C)C)[C@H]1CCOC1	ZINC000594723932	360368401	/nfs/dbraw/zinc/36/84/01/360368401.db2.gz	REISTGDAPZDRQH-SRVKXCTJSA-N	-1	0	290.385	0.505	20	30		CCEDRM
N#CCC1(C[N-]S(=O)(=O)c2ncccc2[N+](=O)[O-])CC1	ZINC000594780592	360381878	/nfs/dbraw/zinc/38/18/78/360381878.db2.gz	FJRWLVJUGCPABZ-UHFFFAOYSA-N	-1	0	296.308	0.962	20	30		CCEDRM
C[C@](O)(CNC(=O)CC1(C#N)CCCCC1)C(=O)[O-]	ZINC000595281060	360477019	/nfs/dbraw/zinc/47/70/19/360477019.db2.gz	HJEBEWZEZHBKGR-LBPRGKRZSA-N	-1	0	268.313	0.802	20	30		CCEDRM
Cc1ccc(C#N)c(N[C@@H]2C[C@H](C(=O)[O-])C[C@@H]2O)n1	ZINC000595977779	360753754	/nfs/dbraw/zinc/75/37/54/360753754.db2.gz	IBOPLKGKBSTYOE-AXFHLTTASA-N	-1	0	261.281	0.898	20	30		CCEDRM
N#Cc1c(N[C@@H]2C[C@H](C(=O)[O-])C[C@@H]2O)nc2ccccn21	ZINC000595978834	360754871	/nfs/dbraw/zinc/75/48/71/360754871.db2.gz	PKAKWFPELHUBDC-NGZCFLSTSA-N	-1	0	286.291	0.842	20	30		CCEDRM
C[C@@]1(C#N)CCN(C(=O)C(=O)N2CCC(C(=O)[O-])CC2)C1	ZINC000595984776	360759622	/nfs/dbraw/zinc/75/96/22/360759622.db2.gz	CNZDMEHXHDJBDO-AWEZNQCLSA-N	-1	0	293.323	0.072	20	30		CCEDRM
N#CCCCCS(=O)(=O)N1CC2(CCC2)[C@H]1C(=O)[O-]	ZINC000596034612	360778835	/nfs/dbraw/zinc/77/88/35/360778835.db2.gz	LUDRTIASIBLTSQ-SNVBAGLBSA-N	-1	0	286.353	0.949	20	30		CCEDRM
N#CC1(CNC(=O)c2ccc3oc(=O)nc-3[n-]2)CC1	ZINC000597609155	361161176	/nfs/dbraw/zinc/16/11/76/361161176.db2.gz	GUFJFWFYZGZAEF-UHFFFAOYSA-N	-1	0	258.237	0.962	20	30		CCEDRM
N#Cc1ccc(NCCCc2nc(=O)[n-][nH]2)c([N+](=O)[O-])c1	ZINC000301438747	201008570	/nfs/dbraw/zinc/00/85/70/201008570.db2.gz	NSIMPSYPTPFUST-UHFFFAOYSA-N	-1	0	288.267	0.923	20	30		CCEDRM
N#Cc1ccc(OCCNC(=O)N2CC(C(=O)[O-])C2)cc1	ZINC000598681191	361480587	/nfs/dbraw/zinc/48/05/87/361480587.db2.gz	QRLGRQQMLFVMIG-UHFFFAOYSA-N	-1	0	289.291	0.663	20	30		CCEDRM
N#Cc1c(C2CC2)[n-][nH]c1=NC(=O)[C@@H]1CC[C@H]1C(N)=O	ZINC000598733718	361500745	/nfs/dbraw/zinc/50/07/45/361500745.db2.gz	CQFXFJQNOIIWQE-HTQZYQBOSA-N	-1	0	273.296	0.031	20	30		CCEDRM
N#Cc1c(C2CC2)[n-][nH]c1=NC(=O)[C@H]1CC[C@@H]1C(N)=O	ZINC000598733721	361501041	/nfs/dbraw/zinc/50/10/41/361501041.db2.gz	CQFXFJQNOIIWQE-YUMQZZPRSA-N	-1	0	273.296	0.031	20	30		CCEDRM
CC[C@H](C#N)NC(=O)c1ccc([N-]S(C)(=O)=O)nc1	ZINC000599238749	361618618	/nfs/dbraw/zinc/61/86/18/361618618.db2.gz	QNXNWMZKZKVDHH-SECBINFHSA-N	-1	0	282.325	0.485	20	30		CCEDRM
C=C(C)CC[N-]S(=O)(=O)c1cc(C(=O)OC)no1	ZINC000599317339	361650010	/nfs/dbraw/zinc/65/00/10/361650010.db2.gz	VBTKLOSDLIULDA-UHFFFAOYSA-N	-1	0	274.298	0.706	20	30		CCEDRM
C=CC[C@H](CO)CNC(=O)c1ccc2oc(=O)nc-2[n-]1	ZINC000613253045	364181963	/nfs/dbraw/zinc/18/19/63/364181963.db2.gz	MUOKWMWDUYJZLG-QMMMGPOBSA-N	-1	0	277.280	0.843	20	30		CCEDRM
C=CCCOCCNC(=O)c1c[n-]n2c1nccc2=O	ZINC000621933675	366934880	/nfs/dbraw/zinc/93/48/80/366934880.db2.gz	QHFUTSKNHIMUFT-UHFFFAOYSA-N	-1	0	276.296	0.345	20	30		CCEDRM
C=CCCCS(=O)(=O)NCc1nocc1C(=O)[O-]	ZINC000656165512	412756599	/nfs/dbraw/zinc/75/65/99/412756599.db2.gz	UOPMTRSHNXPPKE-UHFFFAOYSA-N	-1	0	274.298	0.758	20	30		CCEDRM
Cc1[n-][nH]c(=NC(=O)c2cnc(N(C)C)cn2)c1C#N	ZINC000566469904	291413962	/nfs/dbraw/zinc/41/39/62/291413962.db2.gz	JWXZMDKUFJIMDT-UHFFFAOYSA-N	-1	0	271.284	0.120	20	30		CCEDRM
C=CC[C@@H]1CCN(C(=O)C(=O)NCCC(=O)[O-])C1	ZINC000627277672	368941483	/nfs/dbraw/zinc/94/14/83/368941483.db2.gz	SXTYFUKCPARNPU-SECBINFHSA-N	-1	0	254.286	0.002	20	30		CCEDRM
C=CC(C)(C)CCNC(=O)C(=O)N1CC[C@@H](C(=O)[O-])C1	ZINC000627280688	368943053	/nfs/dbraw/zinc/94/30/53/368943053.db2.gz	MOLIADKZAKPQRM-SNVBAGLBSA-N	-1	0	282.340	0.638	20	30		CCEDRM
CC#CC[C@H](NS(=O)(=O)C1(C(C)C)CC1)C(=O)[O-]	ZINC000629295920	369623032	/nfs/dbraw/zinc/62/30/32/369623032.db2.gz	OQEWYTQDBWGYTL-JTQLQIEISA-N	-1	0	273.354	0.961	20	30		CCEDRM
C=CCOC[C@H](NC(=O)[C@H](C)c1ccnn1C)C(=O)[O-]	ZINC000630187310	369997323	/nfs/dbraw/zinc/99/73/23/369997323.db2.gz	MTDMURHGPUSBSB-ZJUUUORDSA-N	-1	0	281.312	0.296	20	30		CCEDRM
C=CCOC[C@@H](NC(=O)[C@H](C)Cc1c[nH]cn1)C(=O)[O-]	ZINC000630188051	369997434	/nfs/dbraw/zinc/99/74/34/369997434.db2.gz	UJGGTSDMXZBVAB-MWLCHTKSSA-N	-1	0	281.312	0.360	20	30		CCEDRM
C=C(C)C[C@@H](NC(=O)c1cccc(=O)n1C)C(=O)[O-]	ZINC000630319658	370045969	/nfs/dbraw/zinc/04/59/69/370045969.db2.gz	FHHJUOHXBKVURC-SECBINFHSA-N	-1	0	264.281	0.535	20	30		CCEDRM
C=CCCO[C@@H](C)C(=O)N1CC[C@@](OC)(C(=O)[O-])C1	ZINC000630251457	370022029	/nfs/dbraw/zinc/02/20/29/370022029.db2.gz	DYPCYOWTCKXMGI-GWCFXTLKSA-N	-1	0	271.313	0.670	20	30		CCEDRM
C=CCCn1cc(C(=O)N2CC[C@](OC)(C(=O)[O-])C2)nn1	ZINC000630256896	370027501	/nfs/dbraw/zinc/02/75/01/370027501.db2.gz	ZHZARNTUMUOPNA-CYBMUJFWSA-N	-1	0	294.311	0.170	20	30		CCEDRM
C=CCCOCC(=O)N[C@H](C[C@H]1CCCOC1)C(=O)[O-]	ZINC000630275418	370032740	/nfs/dbraw/zinc/03/27/40/370032740.db2.gz	VLUFFSVMSAHDTD-VXGBXAGGSA-N	-1	0	285.340	0.965	20	30		CCEDRM
C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)Cn1cc(C(=O)[O-])cn1	ZINC000630303393	370037680	/nfs/dbraw/zinc/03/76/80/370037680.db2.gz	WKSLXGNMYMLMNR-MFKMUULPSA-N	-1	0	293.323	0.679	20	30		CCEDRM
C=CCC[C@H](NC(=O)Cn1ccc(C)cc1=O)C(=O)[O-]	ZINC000630180229	369993200	/nfs/dbraw/zinc/99/32/00/369993200.db2.gz	BGFPFRYGWMIFTA-NSHDSACASA-N	-1	0	278.308	0.692	20	30		CCEDRM
C=C(C)C[C@@H](NS(=O)(=O)N1CCC(C)CC1)C(=O)[O-]	ZINC000630437340	370116099	/nfs/dbraw/zinc/11/60/99/370116099.db2.gz	DCQXPRSBISNXKS-LLVKDONJSA-N	-1	0	290.385	0.972	20	30		CCEDRM
C=C(C)C[C@H](NS(=O)(=O)C1(COC)CC1)C(=O)[O-]	ZINC000630437338	370116129	/nfs/dbraw/zinc/11/61/29/370116129.db2.gz	DBDYFKQUNDDBEA-VIFPVBQESA-N	-1	0	277.342	0.504	20	30		CCEDRM
C=CCCS(=O)(=O)N[C@H](C(=O)[O-])[C@@H]1CCCO1	ZINC000630423249	370108039	/nfs/dbraw/zinc/10/80/39/370108039.db2.gz	QPRVYVMWFFXWJK-IUCAKERBSA-N	-1	0	263.315	0.114	20	30		CCEDRM
C=C(C)C[C@@H](NS(=O)(=O)CC[C@@H]1CCOC1)C(=O)[O-]	ZINC000630438607	370116865	/nfs/dbraw/zinc/11/68/65/370116865.db2.gz	SVZFNKHQCTVUNB-WDEREUQCSA-N	-1	0	291.369	0.752	20	30		CCEDRM
C=C(C)C[C@H](NS(=O)(=O)N(C)CC)C(=O)[O-]	ZINC000630438353	370116894	/nfs/dbraw/zinc/11/68/94/370116894.db2.gz	OVCVLOMTOLIMSZ-QMMMGPOBSA-N	-1	0	250.320	0.192	20	30		CCEDRM
C=CCCn1cc(CN2C[C@@H](OC)C[C@@]2(C)C(=O)[O-])nn1	ZINC000634695197	372140766	/nfs/dbraw/zinc/14/07/66/372140766.db2.gz	QJAWWEQMGPBPPE-JSGCOSHPSA-N	-1	0	294.355	0.918	20	30		CCEDRM
C=CCn1cc(CNC(=O)[C@H]2CCC[C@@H]2C(=O)[O-])nn1	ZINC000634843806	372269115	/nfs/dbraw/zinc/26/91/15/372269115.db2.gz	WIHVMKRDEIYWOW-QWRGUYRKSA-N	-1	0	278.312	0.581	20	30		CCEDRM
C=C[C@@H]1OCCC[C@H]1NC(=O)CCCc1nnn[n-]1	ZINC000635996944	373225876	/nfs/dbraw/zinc/22/58/76/373225876.db2.gz	LZROTNHWKOHOFB-ZJUUUORDSA-N	-1	0	265.317	0.372	20	30		CCEDRM
C[C@@H](Oc1ccccc1C#N)C(=O)N[C@@H](CF)C(=O)[O-]	ZINC000262832807	296209776	/nfs/dbraw/zinc/20/97/76/296209776.db2.gz	BLDVKMBSKJPOHF-SCZZXKLOSA-N	-1	0	280.255	0.864	20	30		CCEDRM
C=CCCNC(=O)N[C@@H](C(=O)[O-])c1ccn(C)n1	ZINC000656588182	412831661	/nfs/dbraw/zinc/83/16/61/412831661.db2.gz	FBFUYFRALIRARB-SECBINFHSA-N	-1	0	252.274	0.421	20	30		CCEDRM
C=CCCCS(=O)(=O)N[C@H]1CCO[C@H]1C(=O)[O-]	ZINC000656717354	412846448	/nfs/dbraw/zinc/84/64/48/412846448.db2.gz	NFTKZKOHORCQEL-DTWKUNHWSA-N	-1	0	263.315	0.114	20	30		CCEDRM
COc1cc(C#N)ccc1OCC(=O)NC(C)(C)C(=O)[O-]	ZINC000262398628	190054644	/nfs/dbraw/zinc/05/46/44/190054644.db2.gz	HAYSWJZCNURMRG-UHFFFAOYSA-N	-1	0	292.291	0.925	20	30		CCEDRM
C=CCNC(=O)C(C#N)=C([O-])c1cnc(C)nc1C	ZINC000777302257	581112268	/nfs/dbraw/zinc/11/22/68/581112268.db2.gz	JWLCFCKMJQYBGO-SNVBAGLBSA-N	-1	0	258.281	0.718	20	30		CCEDRM
COC(=O)c1ccc(C(=O)Nc2nc(C#N)c(C#N)[n-]2)o1	ZINC000126099254	284718506	/nfs/dbraw/zinc/71/85/06/284718506.db2.gz	CPJFWPIWSQLSMF-UHFFFAOYSA-N	-1	0	285.219	0.785	20	30		CCEDRM
COC(=O)c1ccc(NCCc2nc(=N)[n-]o2)c(C#N)n1	ZINC000571820938	291840320	/nfs/dbraw/zinc/84/03/20/291840320.db2.gz	KHPFWIWRHDFLCK-UHFFFAOYSA-N	-1	0	288.267	0.190	20	30		CCEDRM
COC(=O)c1ccc(N(C)Cc2n[n-]c(=O)o2)c(C#N)n1	ZINC000572303307	291871159	/nfs/dbraw/zinc/87/11/59/291871159.db2.gz	CWZPFDINJIAOPI-UHFFFAOYSA-N	-1	0	289.251	0.465	20	30		CCEDRM
COCCCO[N-]C(=O)C(=O)Nc1cccc(C#N)c1	ZINC000288377525	197062583	/nfs/dbraw/zinc/06/25/83/197062583.db2.gz	XOSXDAMEJCPRTF-UHFFFAOYSA-N	-1	0	277.280	0.581	20	30		CCEDRM
C=C[C@@H](CO)NC(=O)c1ccccc1[N-]S(C)(=O)=O	ZINC000290673581	388910565	/nfs/dbraw/zinc/91/05/65/388910565.db2.gz	SSAAQRIAVQYVJZ-VIFPVBQESA-N	-1	0	284.337	0.335	20	30		CCEDRM
C#CCO[N-]C(=O)CNC(=O)c1ccc(OCC)cc1	ZINC000291178401	388918425	/nfs/dbraw/zinc/91/84/25/388918425.db2.gz	FLCXYCNASFTFRR-UHFFFAOYSA-N	-1	0	276.292	0.496	20	30		CCEDRM
C=CCN1C(=O)C(=O)N(CC(=O)[N-]OC[C@H](C)CC)C1=O	ZINC000293860517	388988884	/nfs/dbraw/zinc/98/88/84/388988884.db2.gz	XRGXPKSCTYXAKM-SECBINFHSA-N	-1	0	297.311	0.057	20	30		CCEDRM
C=C(C)CN(CC)C(=O)Cn1cc(C(=O)[O-])nn1	ZINC000090715487	389022117	/nfs/dbraw/zinc/02/21/17/389022117.db2.gz	BVYBFZXMILDLLH-UHFFFAOYSA-N	-1	0	252.274	0.401	20	30		CCEDRM
C=CCN(C)C(=O)C(=O)N=c1ccc(OC(C)C)n[n-]1	ZINC000342287175	389206643	/nfs/dbraw/zinc/20/66/43/389206643.db2.gz	VMICUOIWRVXXEZ-UHFFFAOYSA-N	-1	0	278.312	0.269	20	30		CCEDRM
C=CCN(CC(=O)[O-])S(=O)(=O)c1cnc(C)s1	ZINC000230108078	389157435	/nfs/dbraw/zinc/15/74/35/389157435.db2.gz	RIDVILXVTYTKCE-UHFFFAOYSA-N	-1	0	276.339	0.713	20	30		CCEDRM
C=CCN=c1[n-]nc(S(=O)(=O)Cc2ccnn2C)s1	ZINC000358738978	389159135	/nfs/dbraw/zinc/15/91/35/389159135.db2.gz	CSXWCXNGFSRIRP-UHFFFAOYSA-N	-1	0	299.381	0.265	20	30		CCEDRM
Cn1cc(N=C([O-])C[C@@H]2CCCC(=O)N2)c(=O)n(C)c1=O	ZINC000329612035	389176608	/nfs/dbraw/zinc/17/66/08/389176608.db2.gz	CJRJXPFGGKGVJI-QMMMGPOBSA-N	-1	0	294.311	0.571	20	30		CCEDRM
C=CCN(CCOC)C(=O)Cc1n[n-]c(=NC)s1	ZINC000361092885	389207853	/nfs/dbraw/zinc/20/78/53/389207853.db2.gz	QPWIDQPXJBDDAK-UHFFFAOYSA-N	-1	0	270.358	0.205	20	30		CCEDRM
CC[C@H](C#N)/N=C(/[O-])c1cnc2n(c1=O)CCS2	ZINC000330536391	389239403	/nfs/dbraw/zinc/23/94/03/389239403.db2.gz	PURMEAKFEGLJIJ-SSDOTTSWSA-N	-1	0	264.310	0.956	20	30		CCEDRM
N#CCc1ccc(C(=O)N[C@@]2(C(=O)[O-])CCOC2)cc1	ZINC000262103432	389281403	/nfs/dbraw/zinc/28/14/03/389281403.db2.gz	NFOXAEORPPFTNA-AWEZNQCLSA-N	-1	0	274.276	0.726	20	30		CCEDRM
C=CCCC(=O)N(CCNC(C)=O)[C@@H](C)C(=O)[O-]	ZINC000262263674	389283679	/nfs/dbraw/zinc/28/36/79/389283679.db2.gz	SQELRKWCIHWEFK-VIFPVBQESA-N	-1	0	256.302	0.390	20	30		CCEDRM
N#CC1(NC(=O)c2[nH]c(=O)[nH]c(=O)c2N)CCCCC1	ZINC000345243832	389292644	/nfs/dbraw/zinc/29/26/44/389292644.db2.gz	MHAIALIFBJWANZ-UHFFFAOYSA-N	-1	0	277.284	0.426	20	30		CCEDRM
CC(C)(C)c1n[n-]c(=NC(=O)NCC(=O)NCC#N)s1	ZINC000348829931	389393827	/nfs/dbraw/zinc/39/38/27/389393827.db2.gz	XAUACQVPVSGHCH-UHFFFAOYSA-N	-1	0	296.356	0.019	20	30		CCEDRM
C=CCS(=O)(=O)[N-]C(=O)[C@@H]1CCC(=O)C[C@@H]1C	ZINC000408475581	389361778	/nfs/dbraw/zinc/36/17/78/389361778.db2.gz	FWLXPUVXCAUTOQ-WCBMZHEXSA-N	-1	0	259.327	0.624	20	30		CCEDRM
C[C@]1(C(=O)[N-]S(=O)(=O)c2cccc(C#N)c2)CCCO1	ZINC000408480134	389363758	/nfs/dbraw/zinc/36/37/58/389363758.db2.gz	CIMVWLCOGLFEFC-CYBMUJFWSA-N	-1	0	294.332	0.932	20	30		CCEDRM
C=CCN1C(=O)N=NC1S[C@H](C)C(=O)NC(=O)NCC	ZINC000348143256	389365977	/nfs/dbraw/zinc/36/59/77/389365977.db2.gz	LOBZHTVZCOZLMR-SSDOTTSWSA-N	-1	0	299.356	0.496	20	30		CCEDRM
C=C(C)[C@H]1OCC[C@@H]1CNC(=O)CSc1n[nH]c(=O)[n-]1	ZINC000281260747	389612198	/nfs/dbraw/zinc/61/21/98/389612198.db2.gz	GJIUGVRGOGOJHV-PSASIEDQSA-N	-1	0	298.368	0.288	20	30		CCEDRM
C=CCN(CC=C)C(=O)N=c1ncn(CC(=O)OCC)[n-]1	ZINC000425729820	389655797	/nfs/dbraw/zinc/65/57/97/389655797.db2.gz	PUEIVLYTXQHHIQ-UHFFFAOYSA-N	-1	0	293.327	0.469	20	30		CCEDRM
C=CC(C)(C)CNC(=O)N=c1ncn(CC(=O)OCC)[n-]1	ZINC000425707950	389655850	/nfs/dbraw/zinc/65/58/50/389655850.db2.gz	GCFZWBZMBOPUFG-UHFFFAOYSA-N	-1	0	295.343	0.597	20	30		CCEDRM
C=CCN1C(=O)N=NC1S(=O)(=O)CCCC#N	ZINC000352398327	389803735	/nfs/dbraw/zinc/80/37/35/389803735.db2.gz	AQTBANYFBPWBLL-UHFFFAOYSA-N	-1	0	256.287	0.247	20	30		CCEDRM
C[C@@H](NC(=O)c1cnc([O-])n(C)c1=O)c1ccc(C#N)cc1	ZINC000434881843	389950064	/nfs/dbraw/zinc/95/00/64/389950064.db2.gz	XXQAXAAYPFWOKH-SECBINFHSA-N	-1	0	298.302	0.849	20	30		CCEDRM
C[C@@H](C(=O)[O-])N(C)S(=O)(=O)c1ccc(C#N)cc1F	ZINC000535513453	390144951	/nfs/dbraw/zinc/14/49/51/390144951.db2.gz	GWXYEBRVAPVVMQ-ZETCQYMHSA-N	-1	0	286.284	0.791	20	30		CCEDRM
C=CCn1cc(C(=O)N(CC(=O)[O-])[C@H](C)CC)nn1	ZINC000647728861	390149360	/nfs/dbraw/zinc/14/93/60/390149360.db2.gz	GWQAZXDVJSPEBG-SECBINFHSA-N	-1	0	266.301	0.789	20	30		CCEDRM
CC#CC[C@H](NS(=O)(=O)CCC(F)(F)F)C(=O)[O-]	ZINC000579481299	390178517	/nfs/dbraw/zinc/17/85/17/390178517.db2.gz	ZQDQNQWOEORJQF-ZETCQYMHSA-N	-1	0	287.259	0.725	20	30		CCEDRM
C=CCCS(=O)(=O)N1CCC[C@@](COC)(C(=O)[O-])C1	ZINC000644578417	390257372	/nfs/dbraw/zinc/25/73/72/390257372.db2.gz	LQDIMGMGYHSDOZ-GFCCVEGCSA-N	-1	0	291.369	0.706	20	30		CCEDRM
C=CCCCS(=O)(=O)N[C@H](C[C@@H]1CCOC1)C(=O)[O-]	ZINC000644629115	390269977	/nfs/dbraw/zinc/26/99/77/390269977.db2.gz	DDRDQMSESRXZJZ-WDEREUQCSA-N	-1	0	291.369	0.752	20	30		CCEDRM
Cc1c(C#N)c(=NC(=O)[C@@H]2CCC(=O)C[C@H]2C)[n-]n1C	ZINC000648434306	390372272	/nfs/dbraw/zinc/37/22/72/390372272.db2.gz	FXDNXTGYZBLZRN-LDYMZIIASA-N	-1	0	274.324	0.966	20	30		CCEDRM
C=CCCCS(=O)(=O)N[C@](C)(COC)C(=O)[O-]	ZINC000563079823	390492886	/nfs/dbraw/zinc/49/28/86/390492886.db2.gz	MJGCMVWVVAKDNK-SNVBAGLBSA-N	-1	0	265.331	0.362	20	30		CCEDRM
C[C@H]1C[C@]1(C#N)C(=O)N1CCC(c2n[nH]c(=O)[n-]2)CC1	ZINC000565026256	390498696	/nfs/dbraw/zinc/49/86/96/390498696.db2.gz	JPUJOOUCFZCFSQ-ISVAXAHUSA-N	-1	0	275.312	0.766	20	30		CCEDRM
C=C(CC)CNC(=O)C(=O)N1CC[C@@H](C)[C@H](C(=O)[O-])C1	ZINC000516468025	390482367	/nfs/dbraw/zinc/48/23/67/390482367.db2.gz	NPEQZWDRHWXFIR-GHMZBOCLSA-N	-1	0	282.340	0.638	20	30		CCEDRM
C=CCC[C@H](CO)Nc1ccc(C(=O)[O-])c(OC)n1	ZINC000516472560	390482600	/nfs/dbraw/zinc/48/26/00/390482600.db2.gz	GIHZAOZEENOGLF-SECBINFHSA-N	-1	0	266.297	0.949	20	30		CCEDRM
C=CC[C@@H](NS(=O)(=O)c1ccc(OC)nc1)C(=O)[O-]	ZINC000646041119	390581449	/nfs/dbraw/zinc/58/14/49/390581449.db2.gz	WBIJWVXCLMCSQO-SECBINFHSA-N	-1	0	286.309	0.398	20	30		CCEDRM
C=CCn1cc(C(=O)N[C@@H](CC2CC2)C(=O)[O-])nn1	ZINC000649248088	390536220	/nfs/dbraw/zinc/53/62/20/390536220.db2.gz	XHYHHNNFRHDRIP-VIFPVBQESA-N	-1	0	264.285	0.447	20	30		CCEDRM
C=CCn1cc(C(=O)N(C[C@H](C)C(=O)[O-])C2CC2)nn1	ZINC000649247309	390536500	/nfs/dbraw/zinc/53/65/00/390536500.db2.gz	KTRJICGOZNRIOH-VIFPVBQESA-N	-1	0	278.312	0.789	20	30		CCEDRM
C=CCn1cc(C(=O)NCC2(C(=O)[O-])CC2)nn1	ZINC000649249934	390537301	/nfs/dbraw/zinc/53/73/01/390537301.db2.gz	VUFJBEWZVMQRKA-UHFFFAOYSA-N	-1	0	250.258	0.059	20	30		CCEDRM
C=CCn1cc(C(=O)N2CCC[C@H]2CC(=O)[O-])nn1	ZINC000649250714	390538194	/nfs/dbraw/zinc/53/81/94/390538194.db2.gz	SEEFEGKIGBMXAS-VIFPVBQESA-N	-1	0	264.285	0.543	20	30		CCEDRM
C=CCCCS(=O)(=O)N[C@](C)(COC)CC(=O)[O-]	ZINC000646029802	390575326	/nfs/dbraw/zinc/57/53/26/390575326.db2.gz	MRQHPVRCDKIACD-NSHDSACASA-N	-1	0	279.358	0.752	20	30		CCEDRM
CC#CC[C@H](CO)NC(=O)N=c1ccc(C2CC2)n[n-]1	ZINC000646310079	390663180	/nfs/dbraw/zinc/66/31/80/390663180.db2.gz	ROEQYKQPGJGNNT-LLVKDONJSA-N	-1	0	274.324	0.672	20	30		CCEDRM
CC#CC[C@H](CO)NC(=O)N=c1[n-]nc2ccccn21	ZINC000646265661	390654153	/nfs/dbraw/zinc/65/41/53/390654153.db2.gz	GTSGUVMBZLZENJ-SNVBAGLBSA-N	-1	0	273.296	0.047	20	30		CCEDRM
CC(C)CN(CC(=O)[O-])S(=O)(=O)N(C)C[C@@H](C)C#N	ZINC000566311744	390596406	/nfs/dbraw/zinc/59/64/06/390596406.db2.gz	HWDMDUTXNKAGKO-JTQLQIEISA-N	-1	0	291.373	0.365	20	30		CCEDRM
N#CCC1(CS(=O)(=O)N2C[C@@H]3C[C@]3(C(=O)[O-])C2)CC1	ZINC000570400635	390718377	/nfs/dbraw/zinc/71/83/77/390718377.db2.gz	AXPUIBFNSDUKJV-CABZTGNLSA-N	-1	0	284.337	0.417	20	30		CCEDRM
C[C@@]1(C(=O)[O-])CCCN1S(=O)(=O)CC1(C#N)CC1	ZINC000526060897	390675352	/nfs/dbraw/zinc/67/53/52/390675352.db2.gz	LWHBAJHWZXKCPB-JTQLQIEISA-N	-1	0	272.326	0.559	20	30		CCEDRM
CSc1nc(=O)n(CC(=O)N[C@@](C)(C#N)C2CC2)[n-]1	ZINC000527309396	390702239	/nfs/dbraw/zinc/70/22/39/390702239.db2.gz	DFQSBRWPBWAQOK-NSHDSACASA-N	-1	0	281.341	0.102	20	30		CCEDRM
CC(C)(NC(=O)c1ccc(C#N)cn1)c1nnn[n-]1	ZINC000531336414	390878242	/nfs/dbraw/zinc/87/82/42/390878242.db2.gz	KHSNSOAXRFMLST-UHFFFAOYSA-N	-1	0	257.257	0.131	20	30		CCEDRM
CC#CCN(C)C(=O)C(=O)N1CCC(C)(C(=O)[O-])CC1	ZINC000647509185	390826241	/nfs/dbraw/zinc/82/62/41/390826241.db2.gz	SFQFCJOAQKNALJ-UHFFFAOYSA-N	-1	0	280.324	0.181	20	30		CCEDRM
COc1ccc(=NC(=O)NC[C@@H]2CCCC[C@H]2O)[n-]n1	ZINC000330247604	533253162	/nfs/dbraw/zinc/25/31/62/533253162.db2.gz	LUUNBGSWLZWSLA-VHSXEESVSA-N	-1	0	280.328	0.784	20	30		CCEDRM
C=CCOC[C@H](NC(=O)C(C)(C)n1cccn1)C(=O)[O-]	ZINC000578644752	390896433	/nfs/dbraw/zinc/89/64/33/390896433.db2.gz	FVJZMGKKHNPNKV-JTQLQIEISA-N	-1	0	281.312	0.390	20	30		CCEDRM
Cn1cccc(N=C([O-])[C@@]2(O)CCSC2)c1=O	ZINC000328979398	581113260	/nfs/dbraw/zinc/11/32/60/581113260.db2.gz	QZUFBTFZFSVHEC-LLVKDONJSA-N	-1	0	254.311	0.841	20	30		CCEDRM
CN(C)c1cc(C#N)cc(C(=O)NCc2n[nH]c(=O)[n-]2)c1	ZINC000341800353	130038429	/nfs/dbraw/zinc/03/84/29/130038429.db2.gz	RODUGILQDILVJY-UHFFFAOYSA-N	-1	0	286.295	0.378	20	30		CCEDRM
COCCN(CC(=O)N[C@H](C#N)C(C)C)C(=O)[O-]	ZINC000739822072	581624529	/nfs/dbraw/zinc/62/45/29/581624529.db2.gz	IMNIIKAIBBBEKS-SECBINFHSA-N	-1	0	257.290	0.277	20	30		CCEDRM
Cc1[n-][nH]c(=NC(=O)[C@H](C)NC(=O)c2ccccc2)c1C#N	ZINC000357251643	144074549	/nfs/dbraw/zinc/07/45/49/144074549.db2.gz	FFPVRNUXWLSLSE-JTQLQIEISA-N	-1	0	297.318	0.769	20	30		CCEDRM
C=CCC[C@@H](NC(=O)c1nc2ncccn2n1)C(=O)[O-]	ZINC000659154113	413314312	/nfs/dbraw/zinc/31/43/12/413314312.db2.gz	LWEXPRPDNJSUME-MRVPVSSYSA-N	-1	0	275.268	0.274	20	30		CCEDRM
C=CCC1(NC(=O)Cn2cc(C(=O)[O-])nn2)CCOCC1	ZINC000659189733	413334061	/nfs/dbraw/zinc/33/40/61/413334061.db2.gz	KXBVZSDKHLWMTR-UHFFFAOYSA-N	-1	0	294.311	0.218	20	30		CCEDRM
C=CCN(C(=O)c1cnc(C(=O)[O-])cn1)[C@@H](C)COC	ZINC000659193963	413337256	/nfs/dbraw/zinc/33/72/56/413337256.db2.gz	YRILOXOOKLGUKX-VIFPVBQESA-N	-1	0	279.296	0.838	20	30		CCEDRM
C=CCCn1cc(C(=O)N(C)[C@H]2C[C@@H](C(=O)[O-])C2)nn1	ZINC000659232026	413346857	/nfs/dbraw/zinc/34/68/57/413346857.db2.gz	RIXDMTQKEJZOMY-AOOOYVTPSA-N	-1	0	278.312	0.789	20	30		CCEDRM
N#Cc1ccccc1S(=O)(=O)NCCCC(=O)[O-]	ZINC000021516609	171312735	/nfs/dbraw/zinc/31/27/35/171312735.db2.gz	IAXVZWHNJGFCAM-UHFFFAOYSA-N	-1	0	268.294	0.701	20	30		CCEDRM
C=C[C@@H](CCC(=O)[O-])NS(=O)(=O)CCOCC	ZINC000654787563	412439178	/nfs/dbraw/zinc/43/91/78/412439178.db2.gz	GVEQUNATQSFPMJ-VIFPVBQESA-N	-1	0	265.331	0.362	20	30		CCEDRM
C=C[C@@H](CCC(=O)[O-])NS(=O)(=O)CC[C@H]1CCCO1	ZINC000654787535	412439456	/nfs/dbraw/zinc/43/94/56/412439456.db2.gz	AMWVERKNVOOWPD-WDEREUQCSA-N	-1	0	291.369	0.894	20	30		CCEDRM
C=CCN(C)C(=O)C(=O)NC[C@H](CC(=O)[O-])CC(C)C	ZINC000659667083	413762823	/nfs/dbraw/zinc/76/28/23/413762823.db2.gz	YSVLDUWFBXNSAZ-NSHDSACASA-N	-1	0	284.356	0.884	20	30		CCEDRM
C=CCn1cc(C(=O)N(CC)[C@H](C)C(=O)[O-])nn1	ZINC000663123616	414994767	/nfs/dbraw/zinc/99/47/67/414994767.db2.gz	DPOKJMJMWGSLRR-MRVPVSSYSA-N	-1	0	252.274	0.399	20	30		CCEDRM
C[C@H](CNS(=O)(=O)c1ccc(F)c(C#N)c1)C(=O)[O-]	ZINC000071238873	176093696	/nfs/dbraw/zinc/09/36/96/176093696.db2.gz	IAQGOVDSBIQMLL-SSDOTTSWSA-N	-1	0	286.284	0.696	20	30		CCEDRM
N#CC1(F)CCN(S(=O)(=O)[N-]CC(F)(F)F)CC1	ZINC000352297346	228216353	/nfs/dbraw/zinc/21/63/53/228216353.db2.gz	JURMECDRKPJUAX-UHFFFAOYSA-N	-1	0	289.254	0.711	20	30		CCEDRM
C=CC[C@H](C)NS(=O)(=O)N(C)CCC(=O)[O-]	ZINC000169065625	544732764	/nfs/dbraw/zinc/73/27/64/544732764.db2.gz	OHTJDPFJOIIJMY-QMMMGPOBSA-N	-1	0	250.320	0.192	20	30		CCEDRM
C=CC[C@@H](C)NS(=O)(=O)N(C)CCC(=O)[O-]	ZINC000169065708	544732893	/nfs/dbraw/zinc/73/28/93/544732893.db2.gz	OHTJDPFJOIIJMY-MRVPVSSYSA-N	-1	0	250.320	0.192	20	30		CCEDRM
C=CCCNS(=O)(=O)N1CCC[C@H](C(=O)[O-])C1	ZINC000161662134	544707761	/nfs/dbraw/zinc/70/77/61/544707761.db2.gz	SRSDPMPFKQDUGC-VIFPVBQESA-N	-1	0	262.331	0.194	20	30		CCEDRM
C=CCCNS(=O)(=O)N1CCC[C@@H](C(=O)[O-])C1	ZINC000161662274	544707801	/nfs/dbraw/zinc/70/78/01/544707801.db2.gz	SRSDPMPFKQDUGC-SECBINFHSA-N	-1	0	262.331	0.194	20	30		CCEDRM
C=CC[C@@H](C)NS(=O)(=O)N1CCC[C@H](C(=O)[O-])C1	ZINC000162557992	544712853	/nfs/dbraw/zinc/71/28/53/544712853.db2.gz	HVQDSAMZEOFFFD-ZJUUUORDSA-N	-1	0	276.358	0.582	20	30		CCEDRM
C=CCOCCNC(=O)[C@H]1CC=CC[C@@H]1C(=O)[O-]	ZINC000310745902	545011544	/nfs/dbraw/zinc/01/15/44/545011544.db2.gz	GIHITXAWCWIJLD-QWRGUYRKSA-N	-1	0	253.298	0.972	20	30		CCEDRM
CC(C)C[C@H](CNS(=O)(=O)N(C)CCC#N)C(=O)[O-]	ZINC000359143735	260801038	/nfs/dbraw/zinc/80/10/38/260801038.db2.gz	NQDURABBHUSZLR-SNVBAGLBSA-N	-1	0	291.373	0.413	20	30		CCEDRM
C#CC[C@H](NS(=O)(=O)c1ccc(C)s1)C(=O)[O-]	ZINC000161245774	261241788	/nfs/dbraw/zinc/24/17/88/261241788.db2.gz	ISPLEPYWERNYRU-QMMMGPOBSA-N	-1	0	273.335	0.811	20	30		CCEDRM
CCC(=O)C[C@@H](NS(=O)(=O)CCCC#N)C(=O)[O-]	ZINC000275032801	263032039	/nfs/dbraw/zinc/03/20/39/263032039.db2.gz	QFJDMCHOZMVBGE-SECBINFHSA-N	-1	0	276.314	0.032	20	30		CCEDRM
N#CC1(c2ccc(C(=O)NCCc3nc(=O)o[n-]3)cc2)CC1	ZINC000280120685	263059149	/nfs/dbraw/zinc/05/91/49/263059149.db2.gz	OEJBLUCFNIGCBK-UHFFFAOYSA-N	-1	0	298.302	0.891	20	30		CCEDRM
Cc1ccc([N-]S(C)(=O)=O)c(C(=O)NCC#N)c1	ZINC000299636171	263250151	/nfs/dbraw/zinc/25/01/51/263250151.db2.gz	HIJUVSSSZMOJGD-UHFFFAOYSA-N	-1	0	267.310	0.620	20	30		CCEDRM
C=CC[C@@H](CO)CN=c1nc(CCOC)[n-]s1	ZINC000340904155	263309135	/nfs/dbraw/zinc/30/91/35/263309135.db2.gz	WPIXKDBBKISMRO-SECBINFHSA-N	-1	0	257.359	0.745	20	30		CCEDRM
C=CC[C@@H](NS(=O)(=O)C[C@@H]1CCCO1)C(=O)[O-]	ZINC000161291689	264279405	/nfs/dbraw/zinc/27/94/05/264279405.db2.gz	ISTUXOXQLAUPPG-DTWKUNHWSA-N	-1	0	263.315	0.114	20	30		CCEDRM
C=C[C@@H](CO)NC(=O)c1nn(-c2ccccc2F)cc1[O-]	ZINC000356843250	266187622	/nfs/dbraw/zinc/18/76/22/266187622.db2.gz	YCXDCTJJNHPWKD-VIFPVBQESA-N	-1	0	291.282	0.994	20	30		CCEDRM
C=CCCC(=O)N1CC(n2cc(C#N)c(=O)[n-]c2=O)C1	ZINC000530270418	266815794	/nfs/dbraw/zinc/81/57/94/266815794.db2.gz	IVTZTVBEDJXPLQ-UHFFFAOYSA-N	-1	0	274.280	0.170	20	30		CCEDRM
C[C@@H]1CN(S(=O)(=O)[N-]c2nn(C)cc2C#N)[C@H](C)CO1	ZINC000340947240	297059608	/nfs/dbraw/zinc/05/96/08/297059608.db2.gz	GMSYILWJGDUNHP-RKDXNWHRSA-N	-1	0	299.356	0.058	20	30		CCEDRM
COc1ccc(=NC(=O)N[C@H]2CCCOC2)[n-]n1	ZINC000329074868	295064817	/nfs/dbraw/zinc/06/48/17/295064817.db2.gz	BOLZLHVUPOCANH-QMMMGPOBSA-N	-1	0	252.274	0.412	20	30		CCEDRM
N#C[C@H]1CN(C(=O)c2ccc([N+](=O)[O-])cc2[O-])CCO1	ZINC000157826213	303169630	/nfs/dbraw/zinc/16/96/30/303169630.db2.gz	QJAMTTVAVJSKAA-VIFPVBQESA-N	-1	0	277.236	0.665	20	30		CCEDRM
N#Cc1cc(F)ccc1S(=O)(=O)N1CC[C@H]1C(=O)[O-]	ZINC000279217301	303184064	/nfs/dbraw/zinc/18/40/64/303184064.db2.gz	HOVSBTLVZMBJGB-VIFPVBQESA-N	-1	0	284.268	0.545	20	30		CCEDRM
CC#CC[C@@H](NS(=O)(=O)c1ccc(OC)nc1)C(=O)[O-]	ZINC000581013981	328759097	/nfs/dbraw/zinc/75/90/97/328759097.db2.gz	HBCBYEHXUYIAMG-SNVBAGLBSA-N	-1	0	298.320	0.235	20	30		CCEDRM
C=C(C)COCCNC(=O)N[C@H](CC(F)F)C(=O)[O-]	ZINC000388459151	327882705	/nfs/dbraw/zinc/88/27/05/327882705.db2.gz	BOWAKJVMFNVAPD-MRVPVSSYSA-N	-1	0	280.271	0.987	20	30		CCEDRM
CC[C@@](C)(CNS(=O)(=O)N(C)C[C@@H](C)C#N)C(=O)[O-]	ZINC000582670281	329122578	/nfs/dbraw/zinc/12/25/78/329122578.db2.gz	TXCGOHCQRKMSDI-ONGXEEELSA-N	-1	0	291.373	0.413	20	30		CCEDRM
C=CCN(C(=O)CCC(=O)[O-])[C@H]1CCS(=O)(=O)C1	ZINC000557979439	327038928	/nfs/dbraw/zinc/03/89/28/327038928.db2.gz	WJOSNMGOPLXKAT-VIFPVBQESA-N	-1	0	275.326	0.053	20	30		CCEDRM
C=C(C)CS(=O)(=O)N1CC[C@](COC)(C(=O)[O-])C1	ZINC000569573816	327200191	/nfs/dbraw/zinc/20/01/91/327200191.db2.gz	ZLLRAWSQRSEQPC-NSHDSACASA-N	-1	0	277.342	0.315	20	30		CCEDRM
CC[C@@](C)(CNS(=O)(=O)N(C)[C@H](C)CC#N)C(=O)[O-]	ZINC000566313471	327304526	/nfs/dbraw/zinc/30/45/26/327304526.db2.gz	WSVJTPNADOWLJV-KOLCDFICSA-N	-1	0	291.373	0.556	20	30		CCEDRM
C=CCOC[C@@H](NC(=O)NC[C@@H]1CCSC1)C(=O)[O-]	ZINC000584395104	329453854	/nfs/dbraw/zinc/45/38/54/329453854.db2.gz	CBTXGRWZHPUMJY-VHSXEESVSA-N	-1	0	288.369	0.695	20	30		CCEDRM
C=CCCCNC(=O)C(=O)N1C[C@@H](C)[C@H](C(=O)[O-])C1	ZINC000420564036	329774812	/nfs/dbraw/zinc/77/48/12/329774812.db2.gz	PGLDZTKLQHPSPH-NXEZZACHSA-N	-1	0	268.313	0.248	20	30		CCEDRM
CC(C)(CC#N)CNC(=O)C(=O)N1CC[C@@](C)(C(=O)[O-])C1	ZINC000420589329	329778212	/nfs/dbraw/zinc/77/82/12/329778212.db2.gz	UKWFDDLFTQFXEY-CQSZACIVSA-N	-1	0	295.339	0.366	20	30		CCEDRM
C=CCN(CC=C)C(=O)C(=O)N1CC[C@@H](C)[C@@H](C(=O)[O-])C1	ZINC000572158235	329950636	/nfs/dbraw/zinc/95/06/36/329950636.db2.gz	GPCNSPNTBRQEHE-NEPJUHHUSA-N	-1	0	294.351	0.756	20	30		CCEDRM
C=CCCO[C@H](C)C(=O)N1CCC(O)(C(=O)[O-])CC1	ZINC000262445634	330013471	/nfs/dbraw/zinc/01/34/71/330013471.db2.gz	GRHOYJLMZFWSAC-SNVBAGLBSA-N	-1	0	271.313	0.406	20	30		CCEDRM
C=CCOC[C@H](NC(=O)C1(C#N)CCCC1)C(=O)[O-]	ZINC000262894647	330036314	/nfs/dbraw/zinc/03/63/14/330036314.db2.gz	DFJOKXAFNJIRBA-JTQLQIEISA-N	-1	0	266.297	0.842	20	30		CCEDRM
C#C[C@H](NC(=O)N1C[C@H](C)C[C@@H](C(=O)[O-])C1)[C@H]1CCCO1	ZINC000263132653	330045212	/nfs/dbraw/zinc/04/52/12/330045212.db2.gz	CZTQOWNAGYOSJH-FVCCEPFGSA-N	-1	0	294.351	0.919	20	30		CCEDRM
CCN(CCC#N)S(=O)(=O)N1C[C@@H](C)[C@H](C(=O)[O-])C1	ZINC000263136956	330045245	/nfs/dbraw/zinc/04/52/45/330045245.db2.gz	NSTISIZGXMRCIE-NXEZZACHSA-N	-1	0	289.357	0.119	20	30		CCEDRM
C=CCCN(C)C(=O)C(=O)N1C[C@H](C)C[C@H](C(=O)[O-])C1	ZINC000422879702	330158892	/nfs/dbraw/zinc/15/88/92/330158892.db2.gz	WBFPINAVDGBMCC-MNOVXSKESA-N	-1	0	282.340	0.590	20	30		CCEDRM
CN(CC(C)(C)C#N)C(=O)C(=O)N1CC[C@](C)(C(=O)[O-])C1	ZINC000422937548	330161528	/nfs/dbraw/zinc/16/15/28/330161528.db2.gz	OFKWWQLRQBWGAI-AWEZNQCLSA-N	-1	0	295.339	0.318	20	30		CCEDRM
C=C(C)C[C@@H](C)C(=O)N1CC2N=NC(=O)N2C[C@@H]1C(=O)[O-]	ZINC000424224876	330330251	/nfs/dbraw/zinc/33/02/51/330330251.db2.gz	BOIAZBMSGLHVJC-RKDXNWHRSA-N	-1	0	294.311	0.381	20	30		CCEDRM
C#CCN(CC#C)C(=O)c1cc(C#N)c(SC)[n-]c1=O	ZINC000120739525	330390909	/nfs/dbraw/zinc/39/09/09/330390909.db2.gz	OFFUGGFGPXXETB-UHFFFAOYSA-N	-1	0	285.328	0.677	20	30		CCEDRM
COC(=O)C1(NS(=O)(=O)CC(C)(C)CC#N)CC1	ZINC000451363436	331025896	/nfs/dbraw/zinc/02/58/96/331025896.db2.gz	SHJMDXKFHAOYKB-UHFFFAOYSA-N	-1	0	274.342	0.551	20	30		CCEDRM
C=CC(C)(C)CNC(=O)N=c1ncn(CC(=O)N(C)C)[n-]1	ZINC000454865513	331155187	/nfs/dbraw/zinc/15/51/87/331155187.db2.gz	AUBXBCNYGRMOKR-UHFFFAOYSA-N	-1	0	294.359	0.122	20	30		CCEDRM
C#CC(C)(C)NC(=O)N=c1nc2nc(C)cc(C)n2[n-]1	ZINC000490799382	332116017	/nfs/dbraw/zinc/11/60/17/332116017.db2.gz	HATYUTYXJVXEOE-UHFFFAOYSA-N	-1	0	272.312	0.696	20	30		CCEDRM
C#CCN(CC)C(=O)N=c1ccc(-c2ccnn2C)n[n-]1	ZINC000491515090	332226926	/nfs/dbraw/zinc/22/69/26/332226926.db2.gz	LSDMWHMTNJAYFI-UHFFFAOYSA-N	-1	0	284.323	0.786	20	30		CCEDRM
C#C[C@@H](CC)NC(=O)N=c1ccc(-c2ccnn2C)n[n-]1	ZINC000491732750	332313936	/nfs/dbraw/zinc/31/39/36/332313936.db2.gz	CGXQJGZGJQQXPC-JTQLQIEISA-N	-1	0	284.323	0.832	20	30		CCEDRM
C#C[C@H]1COCCN1C(=O)c1cc([N+](=O)[O-])ccc1[O-]	ZINC000491780280	332344944	/nfs/dbraw/zinc/34/49/44/332344944.db2.gz	KARANIKDQHAGOR-VIFPVBQESA-N	-1	0	276.248	0.775	20	30		CCEDRM
C#CCN(CC#N)S(=O)(=O)c1ccc(C(=O)[O-])cc1	ZINC000311281289	333066728	/nfs/dbraw/zinc/06/67/28/333066728.db2.gz	BRTOSMFANMJNJC-UHFFFAOYSA-N	-1	0	278.289	0.532	20	30		CCEDRM
C[C@H](CC#N)N(C)S(=O)(=O)N1CC[C@@H](C(=O)[O-])[C@H]1C	ZINC000517376513	333098317	/nfs/dbraw/zinc/09/83/17/333098317.db2.gz	LPLSZTKVXNPMFC-OPRDCNLKSA-N	-1	0	289.357	0.260	20	30		CCEDRM
C[C@H](C#N)CNC(=O)C(=O)N=c1nc(C(C)(C)C)[n-]s1	ZINC000539210794	333660968	/nfs/dbraw/zinc/66/09/68/333660968.db2.gz	GVAJYQYEVLEBMU-SSDOTTSWSA-N	-1	0	295.368	0.472	20	30		CCEDRM
CC#CC[C@H](NS(=O)(=O)N1CCC[C@H]1C)C(=O)[O-]	ZINC000543785859	333898786	/nfs/dbraw/zinc/89/87/86/333898786.db2.gz	CVAXSTSHMHTPDM-ZJUUUORDSA-N	-1	0	274.342	0.172	20	30		CCEDRM
CC#CC[C@@H](NC(=O)N1CCC(OC)CC1)C(=O)[O-]	ZINC000543788519	333898924	/nfs/dbraw/zinc/89/89/24/333898924.db2.gz	SXLOEJJYGKRCHF-LLVKDONJSA-N	-1	0	268.313	0.673	20	30		CCEDRM
N#CCCCCS(=O)(=O)N1CSC[C@H]1C(=O)[O-]	ZINC000547909154	334129228	/nfs/dbraw/zinc/12/92/28/334129228.db2.gz	IAFOBSFKTFNYPY-QMMMGPOBSA-N	-1	0	278.355	0.470	20	30		CCEDRM
CC[C@]1(C(=O)[O-])CCN(S(=O)(=O)N(C)CCC#N)C1	ZINC000548249667	334147077	/nfs/dbraw/zinc/14/70/77/334147077.db2.gz	OUJSLOLGDDADOW-NSHDSACASA-N	-1	0	289.357	0.263	20	30		CCEDRM
CC[C@H](C)[C@H](C(=O)[O-])N(C)S(=O)(=O)N(C)CCC#N	ZINC000548250803	334147229	/nfs/dbraw/zinc/14/72/29/334147229.db2.gz	ZBRCYHPQMGXTRE-VHSXEESVSA-N	-1	0	291.373	0.508	20	30		CCEDRM
CC[C@@H](CNS(=O)(=O)CC1(C#N)CC1)CC(=O)[O-]	ZINC000548591079	334163195	/nfs/dbraw/zinc/16/31/95/334163195.db2.gz	AQTGSRBCANUDQT-SECBINFHSA-N	-1	0	274.342	0.710	20	30		CCEDRM
C=CCOC[C@@H](NC(=O)C1(CF)CCC1)C(=O)[O-]	ZINC000566070816	334620305	/nfs/dbraw/zinc/62/03/05/334620305.db2.gz	QUPFHUQVHIQJTH-SECBINFHSA-N	-1	0	259.277	0.898	20	30		CCEDRM
CC(C)[C@@H](C(=O)[O-])[C@H](C)NS(=O)(=O)CCCC#N	ZINC000568384533	334821432	/nfs/dbraw/zinc/82/14/32/334821432.db2.gz	LSBBADWXXDFYEL-VHSXEESVSA-N	-1	0	276.358	0.955	20	30		CCEDRM
N#Cc1nc(N)n(Cc2ccc(C(=O)[O-])cc2)c1C#N	ZINC000579758338	335880028	/nfs/dbraw/zinc/88/00/28/335880028.db2.gz	PDURLWKHSZTOSG-UHFFFAOYSA-N	-1	0	267.248	0.786	20	30		CCEDRM
COCC[C@H](NC(=O)c1ccc(C#N)c(C)n1)C(=O)[O-]	ZINC000052784220	521969854	/nfs/dbraw/zinc/96/98/54/521969854.db2.gz	SBXZEUAYRYVPRP-NSHDSACASA-N	-1	0	277.280	0.481	20	30		CCEDRM
COCc1ncsc1C(=O)N=c1[nH][n-]c(C)c1C#N	ZINC000357163518	523239065	/nfs/dbraw/zinc/23/90/65/523239065.db2.gz	KHYHESDYRFYXSR-UHFFFAOYSA-N	-1	0	277.309	0.867	20	30		CCEDRM
C[C@@H](CNS(=O)(=O)c1cccc(C#N)c1)C(=O)[O-]	ZINC000054333747	524745644	/nfs/dbraw/zinc/74/56/44/524745644.db2.gz	JBGOUISIWUEXQD-QMMMGPOBSA-N	-1	0	268.294	0.557	20	30		CCEDRM
C=CC[C@H](CO)NC(=O)N=c1nc([C@H](C)OC)[n-]s1	ZINC000350636259	527195542	/nfs/dbraw/zinc/19/55/42/527195542.db2.gz	GHABFVUVMDAVIP-JGVFFNPUSA-N	-1	0	286.357	0.726	20	30		CCEDRM
C=C[C@@H](CO)NC(=O)N=c1ncn(C(C)(C)C)[n-]1	ZINC000350518310	527430760	/nfs/dbraw/zinc/43/07/60/527430760.db2.gz	ZOQUZUCOWOHUFO-QMMMGPOBSA-N	-1	0	253.306	0.123	20	30		CCEDRM
C=CCN(CC=C)C(=O)C(=O)N=c1ncn(C(C)(C)C)[n-]1	ZINC000344259044	527599209	/nfs/dbraw/zinc/59/92/09/527599209.db2.gz	CUIQRASLVZZEPY-UHFFFAOYSA-N	-1	0	291.355	0.594	20	30		CCEDRM
CCc1[n-]n(C)c(=O)c1C(=O)N[C@H](C)c1nncn1C	ZINC000329027080	527821445	/nfs/dbraw/zinc/82/14/45/527821445.db2.gz	VVZIELFVATYTQW-APPZFPTMSA-N	-1	0	278.316	0.687	20	30		CCEDRM
COc1nc(C)ccc1C(=O)N=c1[n-]n(C)cc1C#N	ZINC000346845811	537133186	/nfs/dbraw/zinc/13/31/86/537133186.db2.gz	MZEUJICSDNOWOZ-UHFFFAOYSA-N	-1	0	271.280	0.678	20	30		CCEDRM
CC#CCS(=O)(=O)[N-]C(=O)c1ccc(F)cc1	ZINC000791110282	581207627	/nfs/dbraw/zinc/20/76/27/581207627.db2.gz	ASKNHMOZZIEZQO-UHFFFAOYSA-N	-1	0	255.270	0.909	20	30		CCEDRM
C[C@@H](CNC(=O)[O-])N(C)S(=O)(=O)c1ccc(C#N)nc1	ZINC000738943043	581211461	/nfs/dbraw/zinc/21/14/61/581211461.db2.gz	QGYILTSPDKQFFO-QMMMGPOBSA-N	-1	0	298.324	0.230	20	30		CCEDRM
Cc1ncc(C(=O)[N-]S(=O)(=O)CCCC#N)c(C)n1	ZINC000777342752	581113203	/nfs/dbraw/zinc/11/32/03/581113203.db2.gz	XUNCTRUOTCTKAP-UHFFFAOYSA-N	-1	0	282.325	0.457	20	30		CCEDRM
Cc1cc(C(=O)/C=C\c2cn(CC(=O)[O-])nn2)n(C)n1	ZINC000789159739	581135727	/nfs/dbraw/zinc/13/57/27/581135727.db2.gz	QAJZWDNKUWANIX-ARJAWSKDSA-N	-1	0	275.268	0.301	20	30		CCEDRM
O=C([O-])Cn1cc(CN=Nc2cc(Cl)ccn2)nn1	ZINC000777906802	581138337	/nfs/dbraw/zinc/13/83/37/581138337.db2.gz	OBWSMHOTZSBRBC-UHFFFAOYSA-N	-1	0	280.675	0.857	20	30		CCEDRM
C=CCN(CC(=O)[O-])S(=O)(=O)c1cnn(CC2CC2)c1	ZINC000777912159	581138726	/nfs/dbraw/zinc/13/87/26/581138726.db2.gz	OLUDTKOMKIWDJO-UHFFFAOYSA-N	-1	0	299.352	0.554	20	30		CCEDRM
N#CCN(CC(=O)[O-])C(=O)COc1ccccc1C=O	ZINC000739078255	581172320	/nfs/dbraw/zinc/17/23/20/581172320.db2.gz	CIWVQSLENUQHCV-UHFFFAOYSA-N	-1	0	276.248	0.315	20	30		CCEDRM
N#Cc1ccc(C(=O)NCCSCC(=O)[O-])cn1	ZINC000739101110	581178605	/nfs/dbraw/zinc/17/86/05/581178605.db2.gz	AILCNXGXZDQGOX-UHFFFAOYSA-N	-1	0	265.294	0.501	20	30		CCEDRM
C[C@@H]1CN=C(NN=Cc2[nH]nc3cc(C(=O)[O-])ccc23)N1	ZINC000779791219	581205174	/nfs/dbraw/zinc/20/51/74/581205174.db2.gz	HZVPUJSNDQXTNB-SSDOTTSWSA-N	-1	0	286.295	0.532	20	30		CCEDRM
CC#CCS(=O)(=O)[N-]C(=O)[C@H](C)OC[C@@H]1CCCO1	ZINC000791105817	581207757	/nfs/dbraw/zinc/20/77/57/581207757.db2.gz	DUUZYYZXCMTYBJ-QWRGUYRKSA-N	-1	0	289.353	0.040	20	30		CCEDRM
C=CCS(=O)(=O)[N-]C(=O)c1sc2nccn2c1C	ZINC000780463497	581229077	/nfs/dbraw/zinc/22/90/77/581229077.db2.gz	GXRAKNUPLBBEFD-UHFFFAOYSA-N	-1	0	285.350	0.950	20	30		CCEDRM
C=CCS(=O)(=O)[N-]C(=O)[C@H]1CSCCS1	ZINC000780462938	581229480	/nfs/dbraw/zinc/22/94/80/581229480.db2.gz	DHEIUKBWKJGOCB-SSDOTTSWSA-N	-1	0	267.397	0.467	20	30		CCEDRM
CSc1c(C([O-])=C(C#N)C(=O)NC(C)C)cnn1C	ZINC000791773117	581233466	/nfs/dbraw/zinc/23/34/66/581233466.db2.gz	HZAZLKGXUHHISF-QMMMGPOBSA-N	-1	0	280.353	0.989	20	30		CCEDRM
CS(=O)(=O)C1(C(=O)Nc2cc(C#N)ccc2[O-])CC1	ZINC000792277718	581256547	/nfs/dbraw/zinc/25/65/47/581256547.db2.gz	QOXOFVFVHQYOMO-UHFFFAOYSA-N	-1	0	280.305	0.780	20	30		CCEDRM
CC1(C(=O)[N-]S(=O)(=O)c2cccc(F)c2C#N)COC1	ZINC000781599479	581272664	/nfs/dbraw/zinc/27/26/64/581272664.db2.gz	RYYBBQZYQKSWBJ-UHFFFAOYSA-N	-1	0	298.295	0.539	20	30		CCEDRM
CC1(CC(=O)[N-]S(=O)(=O)CC2(C#N)CC2)CC1	ZINC000793195807	581287749	/nfs/dbraw/zinc/28/77/49/581287749.db2.gz	GAAPXEBOXDSTLD-UHFFFAOYSA-N	-1	0	256.327	0.926	20	30		CCEDRM
C=C[C@@](C)(CCOC)C(=O)OCc1n[nH]c(=O)[n-]1	ZINC000782449684	581303866	/nfs/dbraw/zinc/30/38/66/581303866.db2.gz	PUBKPTZOSYVDQB-NSHDSACASA-N	-1	0	255.274	0.782	20	30		CCEDRM
N#CCNC(=O)C1(NC(=O)[O-])Cc2ccccc2C1	ZINC000740305616	581322689	/nfs/dbraw/zinc/32/26/89/581322689.db2.gz	QPBPFYNWZDGICA-UHFFFAOYSA-N	-1	0	259.265	0.431	20	30		CCEDRM
N#C[C@H]1CN(C(=O)[C@H]2CCCCN2C(=O)[O-])CCO1	ZINC000740308065	581322999	/nfs/dbraw/zinc/32/29/99/581322999.db2.gz	UKAUJZISHSQKDD-VHSXEESVSA-N	-1	0	267.285	0.270	20	30		CCEDRM
N#CC1CCN(C(=O)[C@H]2COCCN2C(=O)[O-])CC1	ZINC000740309727	581323667	/nfs/dbraw/zinc/32/36/67/581323667.db2.gz	MYQRYHNRXVGMRT-SNVBAGLBSA-N	-1	0	267.285	0.127	20	30		CCEDRM
C#CCCNC(=O)C1(OC)CCN(C(=O)[O-])CC1	ZINC000738457521	581331612	/nfs/dbraw/zinc/33/16/12/581331612.db2.gz	PTAUDKJUCYKNOL-UHFFFAOYSA-N	-1	0	254.286	0.285	20	30		CCEDRM
C=C[C@](C)(CCOC)C(=O)[N-]S(=O)(=O)N(C)C(C)C	ZINC000783090739	581335610	/nfs/dbraw/zinc/33/56/10/581335610.db2.gz	KQAUMIMIYPZFAU-GFCCVEGCSA-N	-1	0	292.401	0.916	20	30		CCEDRM
C=C[C@@](C)(CCOC)C(=O)[N-]S(=O)(=O)c1cnccn1	ZINC000783108693	581336406	/nfs/dbraw/zinc/33/64/06/581336406.db2.gz	ZKTYQHLAIUSHBS-LBPRGKRZSA-N	-1	0	299.352	0.510	20	30		CCEDRM
N#Cc1c[n-]n2c1nc(COC(=O)[C@H]1CCOC1)cc2=O	ZINC000783236914	581341042	/nfs/dbraw/zinc/34/10/42/581341042.db2.gz	YCCJNIBBNHOJML-QMMMGPOBSA-N	-1	0	288.263	0.386	20	30		CCEDRM
C#Cc1ccc(C(=O)N2CC[C@@H](NC(=O)[O-])C2)cn1	ZINC000738469863	581343060	/nfs/dbraw/zinc/34/30/60/581343060.db2.gz	INWPQAJFFQOKQD-LLVKDONJSA-N	-1	0	259.265	0.545	20	30		CCEDRM
C#CCOCCNC(=O)[C@H]1CC=CC[C@H]1C(=O)[O-]	ZINC000783686051	581356268	/nfs/dbraw/zinc/35/62/68/581356268.db2.gz	VSXLXZPHJKHTIU-WDEREUQCSA-N	-1	0	251.282	0.419	20	30		CCEDRM
C=CC1CCN(C(=O)COCCNC(=O)[O-])CC1	ZINC000738489180	581358483	/nfs/dbraw/zinc/35/84/83/581358483.db2.gz	SBAIDFMIOZOOPF-UHFFFAOYSA-N	-1	0	256.302	0.695	20	30		CCEDRM
C[C@@H]1C[C@@H](C(=O)C(C#N)=C([O-])c2nccn2C)CO1	ZINC000784527898	581387257	/nfs/dbraw/zinc/38/72/57/581387257.db2.gz	XKIFJMHKBJYWFS-BBBLOLIVSA-N	-1	0	261.281	0.737	20	30		CCEDRM
N#CCc1cccc(S(=O)(=O)NC/C=C/C(=O)[O-])c1	ZINC000794906408	581390289	/nfs/dbraw/zinc/39/02/89/581390289.db2.gz	JZXYRXOFPLYGLS-GORDUTHDSA-N	-1	0	280.305	0.672	20	30		CCEDRM
COc1cc(C)nc(=NN=C2C(=O)OC[C@@H]2C)[n-]1	ZINC000794914983	581390753	/nfs/dbraw/zinc/39/07/53/581390753.db2.gz	ORFZRQFNOLOYSF-LURJTMIESA-N	-1	0	250.258	0.754	20	30		CCEDRM
C=CCC(C)(C)C(=O)[N-]S(=O)(=O)c1cnn(C)c1	ZINC000796716450	581448813	/nfs/dbraw/zinc/44/88/13/581448813.db2.gz	YJJJEVSSNAEAQU-UHFFFAOYSA-N	-1	0	271.342	0.827	20	30		CCEDRM
C=CCS(=O)(=O)[N-]C(=O)C[C@@H]1CCC(=O)[C@@H]1C	ZINC000796794156	581450857	/nfs/dbraw/zinc/45/08/57/581450857.db2.gz	YLIKCDBWKDPSCL-BDAKNGLRSA-N	-1	0	259.327	0.624	20	30		CCEDRM
CCCN(C)S(=O)(=O)[N-]C(=O)c1ccc(C#N)o1	ZINC000796969614	581456648	/nfs/dbraw/zinc/45/66/48/581456648.db2.gz	AEVIFKSLLZUCJK-UHFFFAOYSA-N	-1	0	271.298	0.468	20	30		CCEDRM
C[C@H]1CN(C(=O)[O-])CCN1C(=O)CSCC#N	ZINC000739146618	581511421	/nfs/dbraw/zinc/51/14/21/581511421.db2.gz	CIVPWAYDUHQJPB-QMMMGPOBSA-N	-1	0	257.315	0.454	20	30		CCEDRM
C[C@@H]1CN(C(=O)[O-])CCN1C(=O)CSCC#N	ZINC000739146617	581511461	/nfs/dbraw/zinc/51/14/61/581511461.db2.gz	CIVPWAYDUHQJPB-MRVPVSSYSA-N	-1	0	257.315	0.454	20	30		CCEDRM
C=CCNC(=O)C(C#N)=C([O-])c1ccc2nncn2c1	ZINC000733678542	581517970	/nfs/dbraw/zinc/51/79/70/581517970.db2.gz	CTUGMUKVKMONFO-SNVBAGLBSA-N	-1	0	269.264	0.354	20	30		CCEDRM
Cn1nccc1S(=O)(=O)[N-]C(=O)c1cccc(C#N)c1	ZINC000765651806	581531518	/nfs/dbraw/zinc/53/15/18/581531518.db2.gz	JPXOIEQYDYFLKK-UHFFFAOYSA-N	-1	0	290.304	0.410	20	30		CCEDRM
CCC[C@H](NC(=O)[O-])C(=O)N1CCN(C2CC2)[C@H](C#N)C1	ZINC000739314382	581535217	/nfs/dbraw/zinc/53/52/17/581535217.db2.gz	PLVGSDKUHJIUIE-NEPJUHHUSA-N	-1	0	294.355	0.621	20	30		CCEDRM
CNC(=O)C(C#N)=C([O-])c1cccc2c1O[C@@H](C)C(=O)N2	ZINC000729186197	581557774	/nfs/dbraw/zinc/55/77/74/581557774.db2.gz	FUISOEMQTPRFIS-CBAPKCEASA-N	-1	0	287.275	0.474	20	30		CCEDRM
COC[C@@H](C)S(=O)(=O)[N-]C(=O)c1ccc(C#N)nc1	ZINC000734714103	581580930	/nfs/dbraw/zinc/58/09/30/581580930.db2.gz	GASMYWLROGADQJ-MRVPVSSYSA-N	-1	0	283.309	0.048	20	30		CCEDRM
CN(CC(=O)[C@H](C#N)c1nnc2n1CCCCC2)C(=O)[O-]	ZINC000739617942	581581660	/nfs/dbraw/zinc/58/16/60/581581660.db2.gz	SRFVVISTUZWMCP-VIFPVBQESA-N	-1	0	291.311	0.791	20	30		CCEDRM
CN(CCNC(=O)C1(C#N)CCOCC1)C(=O)[O-]	ZINC000739690062	581593874	/nfs/dbraw/zinc/59/38/74/581593874.db2.gz	KHPVAMAOMWYXNN-UHFFFAOYSA-N	-1	0	255.274	0.033	20	30		CCEDRM
C=CCCO[C@H](C)C(=O)[N-]S(=O)(=O)c1ccccn1	ZINC000734967433	581599562	/nfs/dbraw/zinc/59/95/62/581599562.db2.gz	DHVWXNWGBNNQJY-SNVBAGLBSA-N	-1	0	284.337	0.868	20	30		CCEDRM
C#CCCS(=O)(=O)[N-]C(=O)[C@H]1COc2ccccc2C1	ZINC000788067204	581610402	/nfs/dbraw/zinc/61/04/02/581610402.db2.gz	CZNKEXVTOODUQO-GFCCVEGCSA-N	-1	0	293.344	0.707	20	30		CCEDRM
COC(=O)CN(CC#N)C(=O)[C@H]1CCC[C@H](NC(=O)[O-])C1	ZINC000739762463	581612277	/nfs/dbraw/zinc/61/22/77/581612277.db2.gz	PZKMIBDUTPEIJM-UWVGGRQHSA-N	-1	0	297.311	0.338	20	30		CCEDRM
CCC(=NNc1nnc(C)c(=O)[n-]1)c1nccn1C	ZINC000755524144	581643971	/nfs/dbraw/zinc/64/39/71/581643971.db2.gz	LHZGMZAIWQKDFM-UHFFFAOYSA-N	-1	0	261.289	0.845	20	30		CCEDRM
CSCC[C@@H](NC(=O)[O-])C(=O)NC[C@@H](C)C#N	ZINC000740019457	581644727	/nfs/dbraw/zinc/64/47/27/581644727.db2.gz	XEFGQNJQNJZIEM-JGVFFNPUSA-N	-1	0	259.331	0.652	20	30		CCEDRM
N#CCCCCS(=O)(=O)N1CC[C@H](NC(=O)[O-])C1	ZINC000740306859	581662975	/nfs/dbraw/zinc/66/29/75/581662975.db2.gz	LWAMPTBUKNTEFR-VIFPVBQESA-N	-1	0	275.330	0.352	20	30		CCEDRM
N#C[C@@H]1CN(CC2CCN(C(=O)[O-])CC2)CCO1	ZINC000740306782	581662922	/nfs/dbraw/zinc/66/29/22/581662922.db2.gz	KMFRSUDSZJIFKO-LLVKDONJSA-N	-1	0	253.302	0.601	20	30		CCEDRM
N#CC1(C(=O)N[C@H](CNC(=O)[O-])C2CC2)CCOCC1	ZINC000740309145	581663456	/nfs/dbraw/zinc/66/34/56/581663456.db2.gz	DZIWXCMFOJPPKU-SNVBAGLBSA-N	-1	0	281.312	0.469	20	30		CCEDRM
N#CCCCCOC(=O)CN1CCN(C(=O)[O-])CC1=O	ZINC000740308596	581663497	/nfs/dbraw/zinc/66/34/97/581663497.db2.gz	ZWPRRVBWAARONJ-UHFFFAOYSA-N	-1	0	283.284	0.046	20	30		CCEDRM
N#CCCCCNC(=O)[C@@H]1CSCN1C(=O)[O-]	ZINC000740306892	581663560	/nfs/dbraw/zinc/66/35/60/581663560.db2.gz	MCNSVQWPEZQZNN-QMMMGPOBSA-N	-1	0	257.315	0.849	20	30		CCEDRM
N#CCSCC(=O)OC[C@H]1CCCN1C(=O)[O-]	ZINC000740311741	581664511	/nfs/dbraw/zinc/66/45/11/581664511.db2.gz	YGQOSASOOIWKBO-MRVPVSSYSA-N	-1	0	258.299	0.929	20	30		CCEDRM
N#Cc1ccc([C@@H](N[C@H]2CCN(C(=O)[O-])C2)C(N)=O)cc1	ZINC000740312306	581664780	/nfs/dbraw/zinc/66/47/80/581664780.db2.gz	DLLMZXHYYRZYCJ-NWDGAFQWSA-N	-1	0	288.307	0.427	20	30		CCEDRM
CNC(=O)[C@@H](C#N)C(=O)CCC(C)(C)NC(=O)[O-]	ZINC000739745406	581668054	/nfs/dbraw/zinc/66/80/54/581668054.db2.gz	VQOWHNOZKJWGRI-ZETCQYMHSA-N	-1	0	255.274	0.268	20	30		CCEDRM
NS(=O)(=O)c1ccc(N=NC2CN(C(=O)[O-])C2)cc1	ZINC000740344090	581669981	/nfs/dbraw/zinc/66/99/81/581669981.db2.gz	VUTXXDAXGIAVNG-UHFFFAOYSA-N	-1	0	284.297	0.096	20	30		CCEDRM
C=C(C)[C@H](CC(=O)[N-]S(=O)(=O)[C@@H]1CCOC1)OCC	ZINC000756565143	581671917	/nfs/dbraw/zinc/67/19/17/581671917.db2.gz	SRBHLAMVULHGMS-MNOVXSKESA-N	-1	0	291.369	0.593	20	30		CCEDRM
C=C(C)[C@H](CC(=O)[N-]S(=O)(=O)[C@@H](C)COC)OCC	ZINC000756563740	581671993	/nfs/dbraw/zinc/67/19/93/581671993.db2.gz	QMSOHNGRLFTACE-QWRGUYRKSA-N	-1	0	293.385	0.839	20	30		CCEDRM
CC(C)c1cnc(Cn2c(N)nc(-c3nnn[n-]3)c2C#N)o1	ZINC000735931673	581675525	/nfs/dbraw/zinc/67/55/25/581675525.db2.gz	BLOMDWNQPCUEQZ-UHFFFAOYSA-N	-1	0	299.298	0.677	20	30		CCEDRM
C#CCCNC(=O)C(=O)Nc1cccc(C(=O)[O-])c1	ZINC000736077086	581694435	/nfs/dbraw/zinc/69/44/35/581694435.db2.gz	MHYFTIZAVODYPG-UHFFFAOYSA-N	-1	0	260.249	0.463	20	30		CCEDRM
C#CCSCCNC(=O)[C@@H](NC(=O)[O-])C(C)C	ZINC000736087948	581700370	/nfs/dbraw/zinc/70/03/70/581700370.db2.gz	OCMQIDBVKVVCLO-VIFPVBQESA-N	-1	0	258.343	0.761	20	30		CCEDRM
C#Cc1ccc(C(=O)N[C@H]2CCCN(C(=O)[O-])C2)nc1	ZINC000736092946	581701032	/nfs/dbraw/zinc/70/10/32/581701032.db2.gz	ODUJARIBHBTZSY-NSHDSACASA-N	-1	0	273.292	0.935	20	30		CCEDRM
C=C(C)CN(CC)C(=O)COC(=O)[C@H]1C[C@@H]1C(=O)[O-]	ZINC000736095074	581701718	/nfs/dbraw/zinc/70/17/18/581701718.db2.gz	HLEDEYQBWQPBAT-UWVGGRQHSA-N	-1	0	269.297	0.675	20	30		CCEDRM
Cc1nc2cc[n-]n2c(=O)c1CC(=O)OC[C@@H](C)C#N	ZINC000770939319	581703685	/nfs/dbraw/zinc/70/36/85/581703685.db2.gz	ZEQZPUQGULSDFI-QMMMGPOBSA-N	-1	0	274.280	0.576	20	30		CCEDRM
CC(=O)N1CCN([C@@H](C(=O)[O-])c2ccc(C#N)cc2)CC1	ZINC000736135053	581705560	/nfs/dbraw/zinc/70/55/60/581705560.db2.gz	VWBYQQYBZNJTGP-CQSZACIVSA-N	-1	0	287.319	0.848	20	30		CCEDRM
N#Cc1nc(NC(=O)[C@H]2CCc3n[nH]cc3C2)[n-]c1C#N	ZINC000757845248	581711669	/nfs/dbraw/zinc/71/16/69/581711669.db2.gz	UZRBVLIZJVKIFP-ZETCQYMHSA-N	-1	0	281.279	0.620	20	30		CCEDRM
CC[C@H](C#N)NC(=O)c1ccc(-c2nn[nH]n2)nc1	ZINC000736309125	581735514	/nfs/dbraw/zinc/73/55/14/581735514.db2.gz	KKSLUJNBOQHNQF-MRVPVSSYSA-N	-1	0	257.257	0.294	20	30		CCEDRM
C=CCNC(=O)[C@H](C)OC(=O)c1cc(=O)[n-]c(OC)n1	ZINC000770519435	581750003	/nfs/dbraw/zinc/75/00/03/581750003.db2.gz	QCSZBEQXOCEKGC-ZETCQYMHSA-N	-1	0	281.268	0.038	20	30		CCEDRM
O=C1CNC(=O)N1N=Cc1cc(F)c([O-])c(F)c1	ZINC000770616815	581756858	/nfs/dbraw/zinc/75/68/58/581756858.db2.gz	ZFYLVCGHPGUSQY-UHFFFAOYSA-N	-1	0	255.180	0.556	20	30		CCEDRM
Cn1ccnc1C([O-])=C(C#N)C(=O)COC[C@@H]1CCCO1	ZINC000770865283	581775432	/nfs/dbraw/zinc/77/54/32/581775432.db2.gz	FAACIKLXORFUHS-QWRGUYRKSA-N	-1	0	291.307	0.507	20	30		CCEDRM
COCC1(C(=O)[N-]S(=O)(=O)CC2(C#N)CCC2)CC1	ZINC000771070286	581789181	/nfs/dbraw/zinc/78/91/81/581789181.db2.gz	AYHHWWNPXLCQJR-UHFFFAOYSA-N	-1	0	286.353	0.553	20	30		CCEDRM
Cn1cccc1C(=O)[N-]S(=O)(=O)CC1(C#N)CCC1	ZINC000771074477	581789850	/nfs/dbraw/zinc/78/98/50/581789850.db2.gz	MOYARXYHKJHGAL-UHFFFAOYSA-N	-1	0	281.337	0.779	20	30		CCEDRM
CC(C)(C)OCC(=O)[N-]S(=O)(=O)CC1(C#N)CCC1	ZINC000771077035	581789871	/nfs/dbraw/zinc/78/98/71/581789871.db2.gz	BODFSLYZBZBRNQ-UHFFFAOYSA-N	-1	0	288.369	0.941	20	30		CCEDRM
N#CC1(CS(=O)(=O)[N-]C(=O)C[C@@H]2CCOC2)CCC1	ZINC000771080181	581790369	/nfs/dbraw/zinc/79/03/69/581790369.db2.gz	WTUVVSHBMPBXJK-JTQLQIEISA-N	-1	0	286.353	0.553	20	30		CCEDRM
N#CC1(CS(=O)(=O)[N-]C(=O)[C@@H]2[C@@H]3CCCO[C@H]23)CCC1	ZINC000771077829	581790462	/nfs/dbraw/zinc/79/04/62/581790462.db2.gz	VPOCDFHLECIXGM-AXFHLTTASA-N	-1	0	298.364	0.551	20	30		CCEDRM
CC(C)([N-]C(=O)C(F)(F)F)C(=O)N1CC[C@@](F)(C#N)C1	ZINC000759328272	581793638	/nfs/dbraw/zinc/79/36/38/581793638.db2.gz	QVZPTEGLNDQTGV-SNVBAGLBSA-N	-1	0	295.236	0.908	20	30		CCEDRM
C[C@@H](CNC(=O)C(=O)Nc1cccc(C#N)c1)C(=O)[O-]	ZINC000736588950	581799244	/nfs/dbraw/zinc/79/92/44/581799244.db2.gz	SLJXMAWEXXUWBK-QMMMGPOBSA-N	-1	0	275.264	0.334	20	30		CCEDRM
C[C@@H](NC(=O)C1CCCCC1)C(=O)N(CC#N)CC(=O)[O-]	ZINC000736632193	581807295	/nfs/dbraw/zinc/80/72/95/581807295.db2.gz	VBXNPUQJLHYWLB-SNVBAGLBSA-N	-1	0	295.339	0.508	20	30		CCEDRM
N#C[C@H]1CN(C(=O)c2n[n-]c3ccccc3c2=O)CCO1	ZINC000732289260	581818245	/nfs/dbraw/zinc/81/82/45/581818245.db2.gz	NYKDFMSVDUJQDU-VIFPVBQESA-N	-1	0	284.275	0.700	20	30		CCEDRM
C[C@H](OC(=O)CCCNC(=O)[O-])C(=O)N(C)CCC#N	ZINC000736692199	581820267	/nfs/dbraw/zinc/82/02/67/581820267.db2.gz	YFKMZNFTDVKENA-VIFPVBQESA-N	-1	0	285.300	0.338	20	30		CCEDRM
C[C@@H](Oc1ccccc1)C(=O)N(CC#N)CC(=O)[O-]	ZINC000736703465	581821350	/nfs/dbraw/zinc/82/13/50/581821350.db2.gz	FWCCGOSRSLWURH-SNVBAGLBSA-N	-1	0	262.265	0.891	20	30		CCEDRM
C=CCS(=O)(=O)[N-]C(=O)c1ccccc1OCC#N	ZINC000772715838	581886170	/nfs/dbraw/zinc/88/61/70/581886170.db2.gz	VJGOJCRKPGUPQV-UHFFFAOYSA-N	-1	0	280.305	0.835	20	30		CCEDRM
CCN(C[C@H](C)C#N)C(=O)CN1CCC[C@H]1C(=O)[O-]	ZINC000737078729	581897597	/nfs/dbraw/zinc/89/75/97/581897597.db2.gz	RHQIVDSTYMYTBW-MNOVXSKESA-N	-1	0	267.329	0.544	20	30		CCEDRM
CC(C)[C@@H](Oc1ccccc1C#N)C(=O)[N-]OCC(N)=O	ZINC000772939178	581901343	/nfs/dbraw/zinc/90/13/43/581901343.db2.gz	NHICCMUHICTEIQ-CYBMUJFWSA-N	-1	0	291.307	0.495	20	30		CCEDRM
CCOc1ccc(OCC(=O)N(CC#N)CC(=O)[O-])cc1	ZINC000737203684	581922669	/nfs/dbraw/zinc/92/26/69/581922669.db2.gz	SCAAONCYNQBDRK-UHFFFAOYSA-N	-1	0	292.291	0.901	20	30		CCEDRM
C=CCN(CC(=O)[O-])C(=O)CCn1cc(C)cn1	ZINC000762049594	581929653	/nfs/dbraw/zinc/92/96/53/581929653.db2.gz	DZOIXABXNGRNBG-UHFFFAOYSA-N	-1	0	251.286	0.681	20	30		CCEDRM
COC(=O)N[C@@H](C)C(=O)C(C#N)=C([O-])c1nccn1C	ZINC000762082853	581930844	/nfs/dbraw/zinc/93/08/44/581930844.db2.gz	VEFXOTNUKMWYSI-YUMQZZPRSA-N	-1	0	278.268	0.056	20	30		CCEDRM
CCc1nc(C([O-])=C(C#N)C(=O)NCCOC)co1	ZINC000773976579	581950523	/nfs/dbraw/zinc/95/05/23/581950523.db2.gz	QOATYXJPAQGZPA-MRVPVSSYSA-N	-1	0	265.269	0.322	20	30		CCEDRM
C=CCNC(=O)C(C#N)=C([O-])c1ccnc(N(C)C)c1	ZINC000773979934	581951127	/nfs/dbraw/zinc/95/11/27/581951127.db2.gz	NBDKWUPAGDRZKU-NSHDSACASA-N	-1	0	272.308	0.772	20	30		CCEDRM
N#CCOc1ccccc1C(=O)OCc1n[nH]c(=O)[n-]1	ZINC000774925723	582002957	/nfs/dbraw/zinc/00/29/57/582002957.db2.gz	NCFNADRVRHWNFD-UHFFFAOYSA-N	-1	0	274.236	0.770	20	30		CCEDRM
N#Cc1ccc(NCC(=O)OCc2n[nH]c(=O)[n-]2)cc1	ZINC000774935652	582003504	/nfs/dbraw/zinc/00/35/04/582003504.db2.gz	YXUXKJPLTFOZSC-UHFFFAOYSA-N	-1	0	273.252	0.537	20	30		CCEDRM
Cc1[nH]c(C(=O)OCC(=O)NCC#N)c(C)c1C(=O)[O-]	ZINC000738167534	582026398	/nfs/dbraw/zinc/02/63/98/582026398.db2.gz	MFBBBGWIBRRTRB-UHFFFAOYSA-N	-1	0	279.252	0.126	20	30		CCEDRM
Cc1cc(C)n([C@@H](C)C(=O)N(CC#N)CC(=O)[O-])n1	ZINC000738372072	582040624	/nfs/dbraw/zinc/04/06/24/582040624.db2.gz	OLJBWZPXHSTRBT-JTQLQIEISA-N	-1	0	264.285	0.498	20	30		CCEDRM
Cc1cc(C)n(CCn2cc(C(=O)[O-])cc(C#N)c2=O)n1	ZINC000738377582	582041662	/nfs/dbraw/zinc/04/16/62/582041662.db2.gz	YECCGICFFZRJBX-UHFFFAOYSA-N	-1	0	286.291	0.932	20	30		CCEDRM
CCOCCCNC(=O)C(C#N)=C([O-])c1ccnn1C	ZINC000750390839	582042515	/nfs/dbraw/zinc/04/25/15/582042515.db2.gz	CHWQVHCTLDDLPB-SNVBAGLBSA-N	-1	0	278.312	0.285	20	30		CCEDRM
C=C(C)CN(CC)C(=O)[C@H](C)OC(=O)CN(C)C(=O)[O-]	ZINC000738469527	582053093	/nfs/dbraw/zinc/05/30/93/582053093.db2.gz	AOWNTUBLMOSHBF-JTQLQIEISA-N	-1	0	286.328	0.953	20	30		CCEDRM
CC(C)(C#N)CS(=O)(=O)[N-]C(=O)COC1CCCC1	ZINC000776142049	582053956	/nfs/dbraw/zinc/05/39/56/582053956.db2.gz	HDFNYVAIBUBQFH-UHFFFAOYSA-N	-1	0	288.369	0.941	20	30		CCEDRM
CC(C)(C#N)CS(=O)(=O)[N-]C(=O)COC1(C)CCC1	ZINC000776139430	582054102	/nfs/dbraw/zinc/05/41/02/582054102.db2.gz	RITDTNWOHSNLEZ-UHFFFAOYSA-N	-1	0	288.369	0.941	20	30		CCEDRM
C#Cc1cccc(N(C)C(=O)COCCNC(=O)[O-])c1	ZINC000738467636	582054358	/nfs/dbraw/zinc/05/43/58/582054358.db2.gz	ORPYTWNXIUOMDJ-UHFFFAOYSA-N	-1	0	276.292	0.915	20	30		CCEDRM
C#Cc1ccc(C(=O)NCCN(C(=O)[O-])C2CC2)cn1	ZINC000738467278	582054484	/nfs/dbraw/zinc/05/44/84/582054484.db2.gz	LEIJBNNIFAVMBC-UHFFFAOYSA-N	-1	0	273.292	0.935	20	30		CCEDRM
C=CCNC(=O)[C@@H](C)OC(=O)[C@@H]1CCN(C(=O)[O-])C1	ZINC000738495196	582056103	/nfs/dbraw/zinc/05/61/03/582056103.db2.gz	JPBJDCOOKDPSLX-RKDXNWHRSA-N	-1	0	270.285	0.220	20	30		CCEDRM
C=CCNC(=O)[C@@H](C)N1CCC[C@H](N(C)C(=O)[O-])C1	ZINC000738495703	582056514	/nfs/dbraw/zinc/05/65/14/582056514.db2.gz	OBDRYIIKGWNLPL-MNOVXSKESA-N	-1	0	269.345	0.751	20	30		CCEDRM
C=CCSCCNC(=O)[C@H]1COCCN1C(=O)[O-]	ZINC000738505788	582057141	/nfs/dbraw/zinc/05/71/41/582057141.db2.gz	SQDVXWAPLGSOBD-SECBINFHSA-N	-1	0	274.342	0.401	20	30		CCEDRM
N#Cc1ccc(C(=O)[N-]S(=O)(=O)Cc2ccon2)s1	ZINC000750742519	582057852	/nfs/dbraw/zinc/05/78/52/582057852.db2.gz	NFVWPXSGLHHRAC-UHFFFAOYSA-N	-1	0	297.317	0.868	20	30		CCEDRM
CN(CCS(C)(=O)=O)C(=O)c1cc(O)cc(C#N)c1	ZINC000776344155	582069684	/nfs/dbraw/zinc/06/96/84/582069684.db2.gz	MAWGVUSFQLTCTB-UHFFFAOYSA-N	-1	0	282.321	0.380	20	30		CCEDRM
CC(C)(C#N)CCOC(=O)Cn1[n-]cc2c(=O)ncnc1-2	ZINC000776387553	582071797	/nfs/dbraw/zinc/07/17/97/582071797.db2.gz	PHUCHHRMOHAJJM-UHFFFAOYSA-N	-1	0	289.295	0.554	20	30		CCEDRM
CC(C)(CC(=O)[C@H](C#N)C(=O)NC1CC1)NC(=O)[O-]	ZINC000738730845	582072331	/nfs/dbraw/zinc/07/23/31/582072331.db2.gz	PHBDIMILDDZCNH-QMMMGPOBSA-N	-1	0	267.285	0.410	20	30		CCEDRM
CC(C)(NC(=O)[O-])C(=O)NC[C@H]1CCCN(CC#N)C1	ZINC000738754960	582073579	/nfs/dbraw/zinc/07/35/79/582073579.db2.gz	ZHITVIZWHBKSBO-SNVBAGLBSA-N	-1	0	282.344	0.384	20	30		CCEDRM
Cc1ncc(CO)c(/C=N/C[C@@H](C)C(=O)[O-])c1O	ZINC000738885712	582085529	/nfs/dbraw/zinc/08/55/29/582085529.db2.gz	TVVYWYNMBQIKID-MOLHFAFQSA-N	-1	0	252.270	0.728	20	30		CCEDRM
C[C@@H](CCNC(=O)c1ccc(C#N)cn1)NC(=O)[O-]	ZINC000738902637	582087146	/nfs/dbraw/zinc/08/71/46/582087146.db2.gz	DFNAJPOKKARFKC-QMMMGPOBSA-N	-1	0	262.269	0.729	20	30		CCEDRM
Cc1nn(C)c2ncc(C(=O)N(CC#N)CC(=O)[O-])cc12	ZINC000738918105	582088739	/nfs/dbraw/zinc/08/87/39/582088739.db2.gz	HZYGJDHDTRVWGH-UHFFFAOYSA-N	-1	0	287.279	0.327	20	30		CCEDRM
C#CCN1CCC[C@H]1C(=O)N1CCC[C@H](c2nnn[n-]2)C1	ZINC000765108937	582089983	/nfs/dbraw/zinc/08/99/83/582089983.db2.gz	GIDDFBHMGJXASF-RYUDHWBXSA-N	-1	0	288.355	0.003	20	30		CCEDRM
COc1cc(C)nc(C=NNc2nc3[nH][nH]cc-3c(=O)n2)c1	ZINC000776768508	582090025	/nfs/dbraw/zinc/09/00/25/582090025.db2.gz	JLCLOKBCDRJZPI-UHFFFAOYSA-N	-1	0	299.294	0.590	20	30		CCEDRM
N#CCN(CC(=O)[O-])C(=O)c1cc2ccccn2c1	ZINC000739087465	582102189	/nfs/dbraw/zinc/10/21/89/582102189.db2.gz	MIBQXTBGCGFEJU-UHFFFAOYSA-N	-1	0	257.249	0.990	20	30		CCEDRM
N#CCN(CC(=O)[O-])S(=O)(=O)c1ccc(C#N)cc1F	ZINC000739087440	582102194	/nfs/dbraw/zinc/10/21/94/582102194.db2.gz	YTTWZNGNXYKGFT-UHFFFAOYSA-N	-1	0	297.267	0.296	20	30		CCEDRM
N#Cc1ccc([C@@H](C(=O)[O-])N2CCN(CCO)CC2)cc1	ZINC000739105413	582102706	/nfs/dbraw/zinc/10/27/06/582102706.db2.gz	MAMFLBMKMAUYEJ-AWEZNQCLSA-N	-1	0	289.335	0.294	20	30		CCEDRM
C=C(Br)CNC(=O)[C@](C)(OC)C(=O)[O-]	ZINC000852942298	613238065	/nfs/dbraw/zinc/23/80/65/613238065.db2.gz	GUIODPQYIPGSGX-QMMMGPOBSA-N	-1	0	266.091	0.501	20	30		CCEDRM
C=C(C)C[C@@H](C)C(=O)[N-]S(=O)(=O)C(COC)COC	ZINC000851503410	613354307	/nfs/dbraw/zinc/35/43/07/613354307.db2.gz	YPKFPSFATOOJDK-SNVBAGLBSA-N	-1	0	293.385	0.696	20	30		CCEDRM
C[C@@](C#N)(CC(=O)[O-])C(=O)Nc1nc2cc[nH]cc-2n1	ZINC000819866339	597604610	/nfs/dbraw/zinc/60/46/10/597604610.db2.gz	WAFXFZBOEOXGRE-LBPRGKRZSA-N	-1	0	273.252	0.901	20	30		CCEDRM
Cc1nnc(CNC(=O)[C@@](C)(C#N)CC(=O)[O-])s1	ZINC000821225025	597627569	/nfs/dbraw/zinc/62/75/69/597627569.db2.gz	QNTGOZAMWGGJEJ-SNVBAGLBSA-N	-1	0	268.298	0.467	20	30		CCEDRM
C[C@](C#N)(CC(=O)[O-])C(=O)NC[C@@H](O)c1ccco1	ZINC000819835540	597633321	/nfs/dbraw/zinc/63/33/21/597633321.db2.gz	WIUBQDUZAFRZSX-PRHODGIISA-N	-1	0	266.253	0.434	20	30		CCEDRM
Cc1n[nH]cc1CCCNC(=O)[C@@](C)(C#N)CC(=O)[O-]	ZINC000820934263	597641929	/nfs/dbraw/zinc/64/19/29/597641929.db2.gz	PWJCHKOEZUBFCW-CYBMUJFWSA-N	-1	0	278.312	0.772	20	30		CCEDRM
C[C@@](C#N)(CC(=O)[O-])C(=O)NC[C@@H](O)Cc1ccccc1	ZINC000819834289	597643882	/nfs/dbraw/zinc/64/38/82/597643882.db2.gz	MPQZBSVQAGPKHV-WFASDCNBSA-N	-1	0	290.319	0.711	20	30		CCEDRM
C[C@H]([C@H](C)NC(=O)[C@](C)(C#N)CC(=O)[O-])N1CCOCC1	ZINC000820114492	597644552	/nfs/dbraw/zinc/64/45/52/597644552.db2.gz	NXTGGQPJCGUDKB-WDMOLILDSA-N	-1	0	297.355	0.216	20	30		CCEDRM
C[C@](C#N)(CC(=O)[O-])C(=O)NCC1(O)CCCCC1	ZINC000819832371	597649631	/nfs/dbraw/zinc/64/96/31/597649631.db2.gz	AZPUTJNMYQUQFD-GFCCVEGCSA-N	-1	0	268.313	0.802	20	30		CCEDRM
C[C@@](C#N)(CC(=O)[O-])C(=O)NC[C@H](CO)c1ccccc1	ZINC000819835497	597654073	/nfs/dbraw/zinc/65/40/73/597654073.db2.gz	VTYWYSSIITWERT-DOMZBBRYSA-N	-1	0	290.319	0.883	20	30		CCEDRM
C[C@@](C#N)(CC(=O)[O-])C(=O)N[C@@H]1CCCc2c[nH]nc21	ZINC000819824129	597656647	/nfs/dbraw/zinc/65/66/47/597656647.db2.gz	XUILXRIUXWBZPT-RNCFNFMXSA-N	-1	0	276.296	0.908	20	30		CCEDRM
C#CCOCCNC(=O)N[C@@H]1CCCN(C(=O)[O-])C1	ZINC000833366278	612987647	/nfs/dbraw/zinc/98/76/47/612987647.db2.gz	PJSYOLQPHPRYPH-SNVBAGLBSA-N	-1	0	269.301	0.078	20	30		CCEDRM
Cn1ccnc(N=NC2CCC(C(=O)[O-])CC2)c1=O	ZINC000814863525	598097235	/nfs/dbraw/zinc/09/72/35/598097235.db2.gz	RHXIZEPLDKOOEK-UHFFFAOYSA-N	-1	0	264.285	0.823	20	30		CCEDRM
C#CCOCCNS(=O)(=O)c1cc(C(=O)[O-])oc1C	ZINC000833366034	612989695	/nfs/dbraw/zinc/98/96/95/612989695.db2.gz	CDBNNTFZATWDCM-UHFFFAOYSA-N	-1	0	287.293	0.214	20	30		CCEDRM
N#C[C@@H]1CN(C(=O)NCc2cccc(C(=O)[O-])c2)CCO1	ZINC000093937435	598191441	/nfs/dbraw/zinc/19/14/41/598191441.db2.gz	JLANRWNAEGQYDR-GFCCVEGCSA-N	-1	0	289.291	0.819	20	30		CCEDRM
C[C@](C#N)(CC(=O)[O-])C(=O)Nc1ccc(C(N)=O)cc1	ZINC000819846452	598221474	/nfs/dbraw/zinc/22/14/74/598221474.db2.gz	CTVHZLFGXQUUPN-CYBMUJFWSA-N	-1	0	275.264	0.729	20	30		CCEDRM
C[C@](C#N)(CC(=O)[O-])C(=O)NC[C@@H]1CCCOC1	ZINC000819833524	598224607	/nfs/dbraw/zinc/22/46/07/598224607.db2.gz	HPNJSSHEZCAERZ-JOYOIKCWSA-N	-1	0	254.286	0.534	20	30		CCEDRM
C[C@@](C#N)(CC(=O)[O-])C(=O)N1CCc2cncnc2C1	ZINC000819821562	598227318	/nfs/dbraw/zinc/22/73/18/598227318.db2.gz	IFYLNTLBHPWBQC-ZDUSSCGKSA-N	-1	0	274.280	0.366	20	30		CCEDRM
C[C@](C#N)(CC(=O)[O-])C(=O)N1CC[C@@]2(CCOC2)C1	ZINC000819811088	598229933	/nfs/dbraw/zinc/22/99/33/598229933.db2.gz	JTRJUCDOLWFOOQ-CHWSQXEVSA-N	-1	0	266.297	0.630	20	30		CCEDRM
C[C@](C#N)(CC(=O)[O-])C(=O)N1CCO[C@H]([C@@H]2CCCO2)C1	ZINC000819823657	598229957	/nfs/dbraw/zinc/22/99/57/598229957.db2.gz	VKNHGIRINKEUHS-COPLHBTASA-N	-1	0	296.323	0.397	20	30		CCEDRM
C#CCO[C@H](C)C(=O)N[C@@H](C(=O)[O-])c1ccccc1	ZINC000908907153	613002444	/nfs/dbraw/zinc/00/24/44/613002444.db2.gz	VWKISSVKNKWIMU-ZYHUDNBSSA-N	-1	0	261.277	0.967	20	30		CCEDRM
CC(C)(NS(=O)(=O)c1ccc(C#N)nc1)C(=O)[O-]	ZINC000228697402	599725071	/nfs/dbraw/zinc/72/50/71/599725071.db2.gz	FDIYRRCBWDKIDW-UHFFFAOYSA-N	-1	0	269.282	0.095	20	30		CCEDRM
N#Cc1ccsc1NC(=O)CN1C[C@H](O)C[C@H]1C(=O)[O-]	ZINC000229087941	600142197	/nfs/dbraw/zinc/14/21/97/600142197.db2.gz	HMTNKTHJMDWGNI-BDAKNGLRSA-N	-1	0	295.320	0.078	20	30		CCEDRM
N#CCN(CC(=O)[O-])C(=O)Cn1ccc(C(F)(F)F)n1	ZINC000739079027	600405925	/nfs/dbraw/zinc/40/59/25/600405925.db2.gz	PHWNYHYWBPFCOE-UHFFFAOYSA-N	-1	0	290.201	0.339	20	30		CCEDRM
C[C@@H](CC#N)NS(=O)(=O)c1ccc(CC(=O)[O-])cc1	ZINC000050391942	600649929	/nfs/dbraw/zinc/64/99/29/600649929.db2.gz	PLXWDPYACFMAPO-VIFPVBQESA-N	-1	0	282.321	0.894	20	30		CCEDRM
CCc1ccc(S(=O)(=O)N(CC#N)CC(=O)[O-])cc1	ZINC000586130134	600763819	/nfs/dbraw/zinc/76/38/19/600763819.db2.gz	PONJRKQMDJDWJS-UHFFFAOYSA-N	-1	0	282.321	0.848	20	30		CCEDRM
Cc1nc(SCCC(=O)N(CC#N)CC(=O)[O-])n[nH]1	ZINC000833021120	600963179	/nfs/dbraw/zinc/96/31/79/600963179.db2.gz	HWZQSAYKBKNYEI-UHFFFAOYSA-N	-1	0	283.313	0.032	20	30		CCEDRM
N#CCN(CCN1C(=O)c2ccccc2C1=O)CC(=O)[O-]	ZINC000833067457	601004481	/nfs/dbraw/zinc/00/44/81/601004481.db2.gz	VHLLBEZOFKKJEJ-UHFFFAOYSA-N	-1	0	287.275	0.193	20	30		CCEDRM
C=CCNC(=O)CN1CCSC[C@H]1CC(=O)[O-]	ZINC000091132108	601019194	/nfs/dbraw/zinc/01/91/94/601019194.db2.gz	PCHBDQUIAHNBTJ-SECBINFHSA-N	-1	0	258.343	0.181	20	30		CCEDRM
N#CCN(CC(=O)[O-])C(=O)c1ccncc1Cl	ZINC000833065996	601071883	/nfs/dbraw/zinc/07/18/83/601071883.db2.gz	MUKKPVFIFNQPIO-UHFFFAOYSA-N	-1	0	253.645	0.785	20	30		CCEDRM
N#CCN(CC(=O)[O-])CC(=O)NCCC1CCCCC1	ZINC000833065716	601226261	/nfs/dbraw/zinc/22/62/61/601226261.db2.gz	GNDNUUSVOJBDLC-UHFFFAOYSA-N	-1	0	281.356	0.983	20	30		CCEDRM
N#CCN(CC(=O)[O-])Cc1nnc2n1CCCCC2	ZINC000833067638	601226908	/nfs/dbraw/zinc/22/69/08/601226908.db2.gz	XSRSJXZRDPWMPY-UHFFFAOYSA-N	-1	0	263.301	0.415	20	30		CCEDRM
N#CCN(CC(=O)[O-])S(=O)(=O)C1Cc2ccccc2C1	ZINC000833067120	601256977	/nfs/dbraw/zinc/25/69/77/601256977.db2.gz	QFHPYZXHECHNDY-UHFFFAOYSA-N	-1	0	294.332	0.394	20	30		CCEDRM
Cn1cc(C#N)cc1C(=O)N1CCSC[C@@H]1CC(=O)[O-]	ZINC000833040533	601268633	/nfs/dbraw/zinc/26/86/33/601268633.db2.gz	LYQRLHNRZMAMDM-JTQLQIEISA-N	-1	0	293.348	0.929	20	30		CCEDRM
N#CCCCS(=O)(=O)NC1(CC(=O)[O-])CCOCC1	ZINC000833065463	601270538	/nfs/dbraw/zinc/27/05/38/601270538.db2.gz	FGARHIQEQOCTKX-UHFFFAOYSA-N	-1	0	290.341	0.233	20	30		CCEDRM
C=C1CCN(C(=O)Cn2cc(C(=O)[O-])nn2)CC1	ZINC000382535121	601282255	/nfs/dbraw/zinc/28/22/55/601282255.db2.gz	MVKPWNXQDNYGLR-UHFFFAOYSA-N	-1	0	250.258	0.155	20	30		CCEDRM
C#CCN(CC#C)S(=O)(=O)c1ccc(C(=O)[O-])o1	ZINC000708464669	601386983	/nfs/dbraw/zinc/38/69/83/601386983.db2.gz	GBQCYWOMUMMPGT-UHFFFAOYSA-N	-1	0	267.262	0.235	20	30		CCEDRM
N#Cc1ccc([C@@H](C(N)=O)N2CC[C@](F)(C(=O)[O-])C2)cc1	ZINC000833071156	601551067	/nfs/dbraw/zinc/55/10/67/601551067.db2.gz	DEJMLOCUTOVBLY-SMDDNHRTSA-N	-1	0	291.282	0.583	20	30		CCEDRM
N#Cc1ccc([C@H](C(N)=O)N2CC[C@@](F)(C(=O)[O-])C2)cc1	ZINC000833071153	601551069	/nfs/dbraw/zinc/55/10/69/601551069.db2.gz	DEJMLOCUTOVBLY-RISCZKNCSA-N	-1	0	291.282	0.583	20	30		CCEDRM
CC[C@H](C)[C@@H](NC(=O)CN(C)CCC#N)C(=O)[O-]	ZINC000828707307	601561792	/nfs/dbraw/zinc/56/17/92/601561792.db2.gz	GHBABPDXORXIFU-GXSJLCMTSA-N	-1	0	255.318	0.447	20	30		CCEDRM
N#Cc1ccc(CCC(=O)N2CCOC[C@@H]2C(=O)[O-])cc1	ZINC000833072695	601607022	/nfs/dbraw/zinc/60/70/22/601607022.db2.gz	PFHSUBJNAHFVCD-CYBMUJFWSA-N	-1	0	288.303	0.803	20	30		CCEDRM
N#Cc1ccsc1C(=O)N1CCOC[C@@H]1C(=O)[O-]	ZINC000833076640	601608914	/nfs/dbraw/zinc/60/89/14/601608914.db2.gz	LDPCIJLGKFTWSQ-MRVPVSSYSA-N	-1	0	266.278	0.545	20	30		CCEDRM
N#Cc1ccc(C(=O)N2CCO[C@@H](CC(=O)[O-])C2)nc1	ZINC000091292509	601669117	/nfs/dbraw/zinc/66/91/17/601669117.db2.gz	PEIFLAQKIBSCJZ-JTQLQIEISA-N	-1	0	275.264	0.269	20	30		CCEDRM
C#CCSCCNC(=O)C12CC(C(=O)[O-])(C1)C2	ZINC000911422982	613015461	/nfs/dbraw/zinc/01/54/61/613015461.db2.gz	HJGTXYXQERBDLH-UHFFFAOYSA-N	-1	0	253.323	0.724	20	30		CCEDRM
N#CCCCS(=O)(=O)Oc1cnccc1C(=O)[O-]	ZINC000833065848	601997947	/nfs/dbraw/zinc/99/79/47/601997947.db2.gz	NMSARKUOEBPPNP-UHFFFAOYSA-N	-1	0	270.266	0.792	20	30		CCEDRM
C[C@@H](CC(=O)[O-])C(=O)[C@@H](C#N)C(=O)Nc1ccccn1	ZINC000827241803	602184788	/nfs/dbraw/zinc/18/47/88/602184788.db2.gz	YOMCVYBFDHVTFQ-DTWKUNHWSA-N	-1	0	275.264	0.840	20	30		CCEDRM
N#CCN(CC(=O)[O-])S(=O)(=O)CC1CCCC1	ZINC000833066558	602208290	/nfs/dbraw/zinc/20/82/90/602208290.db2.gz	BFJMSSRNSVUZED-UHFFFAOYSA-N	-1	0	260.315	0.417	20	30		CCEDRM
Cc1cn(CC(=O)N2CCC(C(=O)[O-])CC2)cc1C#N	ZINC000832985190	602301644	/nfs/dbraw/zinc/30/16/44/602301644.db2.gz	GJGRXHDSFOGDFB-UHFFFAOYSA-N	-1	0	275.308	0.991	20	30		CCEDRM
C#CCNC(=O)[C@H](C)[N@@H+]1CCC[C@@H]([C@@H](C)NC(=O)[O-])C1	ZINC000823457186	612949897	/nfs/dbraw/zinc/94/98/97/612949897.db2.gz	WIAONUDBMTYTDG-GRYCIOLGSA-N	-1	0	281.356	0.492	20	30		CCEDRM
N#CC1(NC(=O)CN(CC2CC2)C(=O)[O-])CCOCC1	ZINC000831070371	602946429	/nfs/dbraw/zinc/94/64/29/602946429.db2.gz	JRFIRRHNHOPASG-UHFFFAOYSA-N	-1	0	281.312	0.565	20	30		CCEDRM
Cn1cc(C#N)cc1C(=O)NC[C@H]1CCCN1C(=O)[O-]	ZINC000830989776	603512297	/nfs/dbraw/zinc/51/22/97/603512297.db2.gz	RTSWPKYYYSERSH-SNVBAGLBSA-N	-1	0	276.296	0.769	20	30		CCEDRM
Cc1cnn(CCC(=O)N2CCN(C(=O)[O-])C[C@H]2C#N)c1	ZINC000830645980	603588997	/nfs/dbraw/zinc/58/89/97/603588997.db2.gz	PHTSJKYBECWWAX-LLVKDONJSA-N	-1	0	291.311	0.296	20	30		CCEDRM
N#C[C@@H]1CN(C(=O)[O-])CCN1C(=O)c1ccc([N+](=O)[O-])o1	ZINC000831087025	603591506	/nfs/dbraw/zinc/59/15/06/603591506.db2.gz	INEKXDXBQCJFHF-SSDOTTSWSA-N	-1	0	294.223	0.516	20	30		CCEDRM
N#CCN1CCN(C(=O)[C@@H]2CC[C@@H](NC(=O)[O-])C2)CC1	ZINC000831102705	603626124	/nfs/dbraw/zinc/62/61/24/603626124.db2.gz	RJCGDGLJAFOMAL-GHMZBOCLSA-N	-1	0	280.328	0.090	20	30		CCEDRM
N#CCCN(CCC#N)C(=O)CC1CN(C(=O)[O-])C1	ZINC000831097459	603690416	/nfs/dbraw/zinc/69/04/16/603690416.db2.gz	JUMYRRVNYUGFOH-UHFFFAOYSA-N	-1	0	264.285	0.642	20	30		CCEDRM
C=C(C)CN1C(=O)NC2(CCN(C(=O)[O-])CC2)C1=O	ZINC000823480474	603873417	/nfs/dbraw/zinc/87/34/17/603873417.db2.gz	DHLUYQHIAQGMBP-UHFFFAOYSA-N	-1	0	267.285	0.627	20	30		CCEDRM
N#CCN1CCC(NC(=O)[C@@]2(F)CCN(C(=O)[O-])C2)CC1	ZINC000831102808	603887225	/nfs/dbraw/zinc/88/72/25/603887225.db2.gz	VFRORKXLWKSVJK-CYBMUJFWSA-N	-1	0	298.318	0.183	20	30		CCEDRM
C[C@H](Cn1c(N)nc(-c2nnn[n-]2)c1C#N)C(F)(F)F	ZINC000824465231	607657565	/nfs/dbraw/zinc/65/75/65/607657565.db2.gz	MSYUHJGTFBHKBM-SCSAIBSYSA-N	-1	0	286.221	0.715	20	30		CCEDRM
N#C[C@@H]1CCC[C@H]1NC(=O)COCCNC(=O)[O-]	ZINC000831077138	603959891	/nfs/dbraw/zinc/95/98/91/603959891.db2.gz	WWEIZXUUPPIGPC-DTWKUNHWSA-N	-1	0	255.274	0.079	20	30		CCEDRM
C[C@H](CC(=O)O[C@@H](C)C(=O)N(C)CCC#N)NC(=O)[O-]	ZINC000824720515	603962734	/nfs/dbraw/zinc/96/27/34/603962734.db2.gz	OIQYMHRGYMIHIN-BDAKNGLRSA-N	-1	0	285.300	0.336	20	30		CCEDRM
N#C[C@@H]1CCC[C@@H]1NC(=O)[C@H]1CSCN1C(=O)[O-]	ZINC000831077193	604030224	/nfs/dbraw/zinc/03/02/24/604030224.db2.gz	XELHPJJWZORJNS-XHNCKOQMSA-N	-1	0	269.326	0.848	20	30		CCEDRM
N#C[C@@H]1CN(C(=O)[O-])CCN1C(=O)CCCn1cccn1	ZINC000831083366	604066861	/nfs/dbraw/zinc/06/68/61/604066861.db2.gz	ZXTUDFKOVDLLKJ-LLVKDONJSA-N	-1	0	291.311	0.378	20	30		CCEDRM
N#C[C@@H]1CN(C(=O)[O-])CCN1C(=O)C1CCSCC1	ZINC000831075738	604071503	/nfs/dbraw/zinc/07/15/03/604071503.db2.gz	CMXCYJNKWJRDFG-SNVBAGLBSA-N	-1	0	283.353	0.844	20	30		CCEDRM
N#Cc1c[nH]c(C(=O)N2CCN(C(=O)[O-])C[C@@H]2C#N)c1	ZINC000831113375	604079128	/nfs/dbraw/zinc/07/91/28/604079128.db2.gz	BHKBKMPKORYLLA-VIFPVBQESA-N	-1	0	273.252	0.214	20	30		CCEDRM
N#C[C@@H]1CCC[C@@H]1NC(=O)C[C@H]1CN(C(=O)[O-])CCO1	ZINC000831075655	604273258	/nfs/dbraw/zinc/27/32/58/604273258.db2.gz	BKIKYGYXHDWRNE-DCAQKATOSA-N	-1	0	281.312	0.564	20	30		CCEDRM
N#C[C@@H]1CCC[C@H]1NC(=O)C[C@@H]1CN(C(=O)[O-])CCO1	ZINC000831075659	604273354	/nfs/dbraw/zinc/27/33/54/604273354.db2.gz	BKIKYGYXHDWRNE-HBNTYKKESA-N	-1	0	281.312	0.564	20	30		CCEDRM
N#Cc1ccnc(N2CC[C@@H](NC(=O)[O-])C2)c1[N+](=O)[O-]	ZINC000831157502	604442771	/nfs/dbraw/zinc/44/27/71/604442771.db2.gz	YCGLMKDIPXPHIU-MRVPVSSYSA-N	-1	0	277.240	0.708	20	30		CCEDRM
O=C([O-])N1CCO[C@@H](C(=O)NCC#Cc2ccccc2)C1	ZINC000831610709	604672009	/nfs/dbraw/zinc/67/20/09/604672009.db2.gz	QNLMEZARBZFMDR-CYBMUJFWSA-N	-1	0	288.303	0.533	20	30		CCEDRM
C[C@H](C#N)COC(=O)CN(C[C@@H]1CCCO1)C(=O)[O-]	ZINC000823648893	605285420	/nfs/dbraw/zinc/28/54/20/605285420.db2.gz	YZQCUWSIOIFQJK-ZJUUUORDSA-N	-1	0	270.285	0.848	20	30		CCEDRM
N#C[C@H]1CN(C(=O)[O-])CCN1C(=O)c1ccc(F)cn1	ZINC000833966238	605334931	/nfs/dbraw/zinc/33/49/31/605334931.db2.gz	IQZBRSCACPGFFI-VIFPVBQESA-N	-1	0	278.243	0.549	20	30		CCEDRM
N#C[C@@H]1CCC[C@H]1NC(=O)CO[C@@H]1CCCN(C(=O)[O-])C1	ZINC000831077303	605385703	/nfs/dbraw/zinc/38/57/03/605385703.db2.gz	YVSALRRKKNWYSB-QJPTWQEYSA-N	-1	0	295.339	0.954	20	30		CCEDRM
N#CCCCS(=O)(=O)NC[C@H]1CCN(C(=O)[O-])C1	ZINC000833965731	605428186	/nfs/dbraw/zinc/42/81/86/605428186.db2.gz	QEXSACYMXWNWTN-SECBINFHSA-N	-1	0	275.330	0.209	20	30		CCEDRM
C[C@H](C#N)C(=O)N(C1CC1)[C@@H]1CCN(C(=O)[O-])C1	ZINC000823646342	605461307	/nfs/dbraw/zinc/46/13/07/605461307.db2.gz	AGWHVPVHXYRENJ-PSASIEDQSA-N	-1	0	251.286	0.889	20	30		CCEDRM
N#CC1(C(=O)NC[C@H]2CCN(C(=O)[O-])C2)CCC1	ZINC000833964275	605533584	/nfs/dbraw/zinc/53/35/84/605533584.db2.gz	DMWTWNSIYMODSK-SECBINFHSA-N	-1	0	251.286	0.796	20	30		CCEDRM
N#CCc1ccc(NC(=O)[C@@H](CC(N)=O)NC(=O)[O-])cc1	ZINC000833968774	605666200	/nfs/dbraw/zinc/66/62/00/605666200.db2.gz	WRIZRUNDYXAKTH-SNVBAGLBSA-N	-1	0	290.279	0.203	20	30		CCEDRM
N#C[C@@H]1CN(C(=O)[O-])C[C@H]1NC[C@H](O)c1cccc(F)c1	ZINC000833966537	605685168	/nfs/dbraw/zinc/68/51/68/605685168.db2.gz	LSHNAQSIGHLIOZ-RTXFEEFZSA-N	-1	0	293.298	0.951	20	30		CCEDRM
N#CC1CCN(C(=O)NCC2CN(C(=O)[O-])C2)CC1	ZINC000833965863	605741478	/nfs/dbraw/zinc/74/14/78/605741478.db2.gz	FPWMIFOLPKVRHA-UHFFFAOYSA-N	-1	0	266.301	0.541	20	30		CCEDRM
C[C@@H]1C[C@H](NC(=O)[O-])CCN1C(=O)CSCC#N	ZINC000825811096	605751768	/nfs/dbraw/zinc/75/17/68/605751768.db2.gz	ZIDWMSOULISWHC-RKDXNWHRSA-N	-1	0	271.342	0.890	20	30		CCEDRM
N#Cc1ccc(C(=O)NCC2CN(C(=O)[O-])C2)cc1	ZINC000833972379	605754365	/nfs/dbraw/zinc/75/43/65/605754365.db2.gz	CNPYBRMTXLCCSF-UHFFFAOYSA-N	-1	0	259.265	0.898	20	30		CCEDRM
C[C@@]1(C(=O)[O-])CCN(C(=O)[C@@H](O)c2ccc(C#N)cc2)C1	ZINC000833554357	605757963	/nfs/dbraw/zinc/75/79/63/605757963.db2.gz	WHUDBUPAYVQKMF-SWLSCSKDSA-N	-1	0	288.303	0.915	20	30		CCEDRM
Cn1cc(C#N)cc1C(=O)NC[C@H](NC(=O)[O-])C1CC1	ZINC000833945437	605814917	/nfs/dbraw/zinc/81/49/17/605814917.db2.gz	RMLXYJDSBILVDO-JTQLQIEISA-N	-1	0	276.296	0.673	20	30		CCEDRM
C[C@H]1CN(C(=O)c2ccc(C#N)[nH]2)CCN1C(=O)[O-]	ZINC000833838855	605872155	/nfs/dbraw/zinc/87/21/55/605872155.db2.gz	XUTTXXZUIHZDHD-QMMMGPOBSA-N	-1	0	262.269	0.711	20	30		CCEDRM
N#CCC1CCN(C(=O)C2(NC(=O)[O-])CC2)CC1	ZINC000833968448	605932539	/nfs/dbraw/zinc/93/25/39/605932539.db2.gz	KBGVTJQNKUFFJP-UHFFFAOYSA-N	-1	0	251.286	0.939	20	30		CCEDRM
N#C[C@H]1CSCCN1C(=O)[C@@H](CC(F)F)NC(=O)[O-]	ZINC000833967373	605978550	/nfs/dbraw/zinc/97/85/50/605978550.db2.gz	QWGJJOOGXSQPHN-NKWVEPMBSA-N	-1	0	293.295	0.745	20	30		CCEDRM
N#C[C@@H](OC(=O)[C@H](CC(N)=O)NC(=O)[O-])C1CCCCC1	ZINC000833961625	606019246	/nfs/dbraw/zinc/01/92/46/606019246.db2.gz	SEHSHLBUWRWNIT-VHSXEESVSA-N	-1	0	297.311	0.514	20	30		CCEDRM
N#C[C@H]1COCCN1C(=O)[C@H](CC(F)F)NC(=O)[O-]	ZINC000833965616	606059105	/nfs/dbraw/zinc/05/91/05/606059105.db2.gz	CHFMXZWNISXWAU-BQBZGAKWSA-N	-1	0	277.227	0.029	20	30		CCEDRM
C#CCCS(=O)(=O)[N-]C(=O)CCCOCCOCC	ZINC000851000535	613052790	/nfs/dbraw/zinc/05/27/90/613052790.db2.gz	VQLFBLDQFDVOHD-UHFFFAOYSA-N	-1	0	291.369	0.289	20	30		CCEDRM
C#CCCS(=O)(=O)[N-]C(=O)C1SCCS1	ZINC000842346465	613052840	/nfs/dbraw/zinc/05/28/40/613052840.db2.gz	MAGDVLMCGMYVPB-UHFFFAOYSA-N	-1	0	265.381	0.262	20	30		CCEDRM
C#CCCS(=O)(=O)[N-]C(=O)[C@@H](C)Oc1ccccn1	ZINC000835371150	613052924	/nfs/dbraw/zinc/05/29/24/613052924.db2.gz	FYHUCYGTQJDZTG-SNVBAGLBSA-N	-1	0	282.321	0.318	20	30		CCEDRM
C#CCCS(=O)(=O)[N-]C(=O)C[C@@H]1CSCCS1	ZINC000810779532	613053004	/nfs/dbraw/zinc/05/30/04/613053004.db2.gz	QZWYKXMRKXABSE-SECBINFHSA-N	-1	0	293.435	0.694	20	30		CCEDRM
C#CCCS(=O)(=O)[N-]C(=O)[C@@H]1CC[C@H]2C[C@H]2C1	ZINC000817733193	613053225	/nfs/dbraw/zinc/05/32/25/613053225.db2.gz	YAEXEXDQAQDUCR-AXFHLTTASA-N	-1	0	255.339	0.892	20	30		CCEDRM
Cc1nc(-c2nnn[n-]2)c(N=NCc2cnn(C)c2C)o1	ZINC000826322830	607886693	/nfs/dbraw/zinc/88/66/93/607886693.db2.gz	CZSHSAOEBWRNKL-UHFFFAOYSA-N	-1	0	287.287	0.651	20	30		CCEDRM
COCC#CCn1cc(-c2nnn[n-]2)c(=O)c2ccccc21	ZINC000826147719	608096937	/nfs/dbraw/zinc/09/69/37/608096937.db2.gz	JKBOFJQTTMVREJ-UHFFFAOYSA-N	-1	0	295.302	0.831	20	30		CCEDRM
C#CCN(CC#C)CC(=O)N[C@@H](CC(C)C)C(=O)[O-]	ZINC000825608753	613099085	/nfs/dbraw/zinc/09/90/85/613099085.db2.gz	ITSLWLXUKNOPGK-LBPRGKRZSA-N	-1	0	264.325	0.170	20	30		CCEDRM
C#CCN(CC#CC)C(=O)CO[C@@H]1CCCN(C(=O)[O-])C1	ZINC000823450801	613099480	/nfs/dbraw/zinc/09/94/80/613099480.db2.gz	JIYNXDTZCRJBEP-CYBMUJFWSA-N	-1	0	292.335	0.631	20	30		CCEDRM
COc1cc(F)cc(OC)c1C=NNCC(=O)[O-]	ZINC000872377775	617197653	/nfs/dbraw/zinc/19/76/53/617197653.db2.gz	JZBLWOWNVPZBJU-UHFFFAOYSA-N	-1	0	256.233	0.851	20	30		CCEDRM
C=CCCC[C@@H](NC(=O)[C@]1(O)CCSC1)C(=O)[O-]	ZINC000910915842	613471352	/nfs/dbraw/zinc/47/13/52/613471352.db2.gz	BSBNBHUZTOCSSX-SKDRFNHKSA-N	-1	0	273.354	0.780	20	30		CCEDRM
C=C[C@H](C)O[N-]C(=O)[C@@H](NS(C)(=O)=O)C(C)(C)C	ZINC000846550916	613488134	/nfs/dbraw/zinc/48/81/34/613488134.db2.gz	ZQZMHQYJBGRUPI-DTWKUNHWSA-N	-1	0	278.374	0.573	20	30		CCEDRM
C#CCCCC(=O)NC1(CC(=O)[O-])CCOCC1	ZINC000909052638	612974871	/nfs/dbraw/zinc/97/48/71/612974871.db2.gz	CKWNKTSCOYBOPC-UHFFFAOYSA-N	-1	0	253.298	0.930	20	30		CCEDRM
CC(CS(=O)(=O)c1ccccc1)=NNCC(=O)[O-]	ZINC000814958790	614381631	/nfs/dbraw/zinc/38/16/31/614381631.db2.gz	ROPGCGUNICJFQS-UHFFFAOYSA-N	-1	0	270.310	0.510	20	30		CCEDRM
COc1ccc(F)cc1C(=O)[N-]S(=O)(=O)CCC#N	ZINC000821583871	617265016	/nfs/dbraw/zinc/26/50/16/617265016.db2.gz	KBHPCDNCLRDEMH-UHFFFAOYSA-N	-1	0	286.284	0.808	20	30		CCEDRM
COc1ccc(OC)c(C=NOCC(=O)NCC(=O)[O-])c1	ZINC000820849697	617274922	/nfs/dbraw/zinc/27/49/22/617274922.db2.gz	QFVAJTGOHDZWBG-UHFFFAOYSA-N	-1	0	296.279	0.255	20	30		CCEDRM
COc1cccc(C=NOCC(=O)NCC(=O)[O-])c1OC	ZINC000820865397	617295246	/nfs/dbraw/zinc/29/52/46/617295246.db2.gz	MZTZYQAWTCQLEH-UHFFFAOYSA-N	-1	0	296.279	0.255	20	30		CCEDRM
C[C@@H](C(=O)N(C)CCC#N)N1CC[C@@H](N(C)C(=O)[O-])C1	ZINC000823653605	617300564	/nfs/dbraw/zinc/30/05/64/617300564.db2.gz	CGYGZYZIYWBSSN-WDEREUQCSA-N	-1	0	282.344	0.431	20	30		CCEDRM
C#CC1(O)CN(C(=O)c2cccc(Br)c2[O-])C1	ZINC000890523389	612959405	/nfs/dbraw/zinc/95/94/05/612959405.db2.gz	YKVRKCXGNVVPBT-UHFFFAOYSA-N	-1	0	296.120	0.975	20	30		CCEDRM
C#CCC(C)(C)C(=O)[N-]S(=O)(=O)C[C@@H]1CCCOC1	ZINC000810877047	612965675	/nfs/dbraw/zinc/96/56/75/612965675.db2.gz	QAYOUJGDLZJWAX-LLVKDONJSA-N	-1	0	287.381	0.909	20	30		CCEDRM
C#CCCCCNC(=O)C(=O)NCCC(C)(C)C(=O)[O-]	ZINC000818656638	612977187	/nfs/dbraw/zinc/97/71/87/612977187.db2.gz	HCMLBWNZVLZGCI-UHFFFAOYSA-N	-1	0	282.340	0.523	20	30		CCEDRM
C#CCCCCNC(=O)[C@@H]1CN(C(=O)[O-])CCO1	ZINC000823440949	612978229	/nfs/dbraw/zinc/97/82/29/612978229.db2.gz	NLCGSSYOGJJYQN-JTQLQIEISA-N	-1	0	254.286	0.285	20	30		CCEDRM
C#CCOCCC(=O)NCC1(C(=O)[O-])CCOCC1	ZINC000833364228	612979367	/nfs/dbraw/zinc/97/93/67/612979367.db2.gz	MBZAGUKLIPZYDA-UHFFFAOYSA-N	-1	0	269.297	0.024	20	30		CCEDRM
C#CCCCNC(=O)C(=O)N1CC[C@H](C(=O)[O-])[C@@H](C)C1	ZINC000861716372	612979711	/nfs/dbraw/zinc/97/97/11/612979711.db2.gz	QRWREVJKFCFGSZ-QWRGUYRKSA-N	-1	0	280.324	0.085	20	30		CCEDRM
C#CCCCNC(=O)C(=O)N1C[C@H](C)C[C@H](C(=O)[O-])C1	ZINC000817892610	612979730	/nfs/dbraw/zinc/97/97/30/612979730.db2.gz	VGGKXZKBTNXVRN-MNOVXSKESA-N	-1	0	280.324	0.085	20	30		CCEDRM
C#CCOCCC(=O)[N-]S(=O)(=O)CCOC(C)(C)C	ZINC000835919009	612980083	/nfs/dbraw/zinc/98/00/83/612980083.db2.gz	RTZRELQJGIXWJR-UHFFFAOYSA-N	-1	0	291.369	0.287	20	30		CCEDRM
C#CCOCCNC(=O)N1CCC[C@H](C(=O)[O-])C1	ZINC000840988648	612985992	/nfs/dbraw/zinc/98/59/92/612985992.db2.gz	AKQUUTRCEPLYKO-JTQLQIEISA-N	-1	0	254.286	0.142	20	30		CCEDRM
C#CCO[N-]C(=O)Cc1csc(S[C@@H](C)C(N)=O)n1	ZINC000880080073	612992517	/nfs/dbraw/zinc/99/25/17/612992517.db2.gz	ZFMWZHLCXFATBB-ZETCQYMHSA-N	-1	0	299.377	0.333	20	30		CCEDRM
C#CCO[N-]C(=O)[C@@](C)(O)CN1Cc2ccccc2C1=O	ZINC000855607172	612992603	/nfs/dbraw/zinc/99/26/03/612992603.db2.gz	XTPAQPDGAOCAJF-HNNXBMFYSA-N	-1	0	288.303	0.074	20	30		CCEDRM
C#CCO[C@@H](C)C(=O)NCCc1nc(C(=O)[O-])cs1	ZINC000909796616	612996309	/nfs/dbraw/zinc/99/63/09/612996309.db2.gz	PHABMMSEZNZLDA-QMMMGPOBSA-N	-1	0	282.321	0.538	20	30		CCEDRM
C#CCO[C@@H](C)C(=O)N[C@H](C(=O)[O-])c1cccc(O)c1	ZINC000911443531	612997244	/nfs/dbraw/zinc/99/72/44/612997244.db2.gz	KRXKIKRYXACBJN-CABZTGNLSA-N	-1	0	277.276	0.672	20	30		CCEDRM
C#CCOc1cccc(NC(=O)NCC(=O)[N-]OCC)c1	ZINC000844532811	613007421	/nfs/dbraw/zinc/00/74/21/613007421.db2.gz	USWWDAYDAVPBKY-UHFFFAOYSA-N	-1	0	291.307	0.888	20	30		CCEDRM
C#CCCN1CCN(C(=O)C2(C(=O)[O-])CCC2)CC1	ZINC000911252860	613009117	/nfs/dbraw/zinc/00/91/17/613009117.db2.gz	XWNJUHRBGNPESA-UHFFFAOYSA-N	-1	0	264.325	0.409	20	30		CCEDRM
C#CCCN1CCN(C(=O)C[C@@H]2CCCN2C(=O)[O-])CC1	ZINC000823444475	613009217	/nfs/dbraw/zinc/00/92/17/613009217.db2.gz	JPKMEBVZYMKVFY-ZDUSSCGKSA-N	-1	0	293.367	0.686	20	30		CCEDRM
C#CCCN1CCN(c2ncc(C(=O)[O-])s2)CC1	ZINC000910347291	613012290	/nfs/dbraw/zinc/01/22/90/613012290.db2.gz	WWMBQMVCGDUCBM-UHFFFAOYSA-N	-1	0	265.338	0.987	20	30		CCEDRM
C#CC[C@@H](CO)NC(=O)c1oc(C(=O)[O-])cc1C	ZINC000911394651	613029843	/nfs/dbraw/zinc/02/98/43/613029843.db2.gz	BNYCIKOGFWIACH-QMMMGPOBSA-N	-1	0	251.238	0.400	20	30		CCEDRM
C#CC[C@@H](NC(=O)[C@@H]1CCc2cnn(C)c2C1)C(=O)[O-]	ZINC000910050077	613040670	/nfs/dbraw/zinc/04/06/70/613040670.db2.gz	DZXZFORDAABASC-MWLCHTKSSA-N	-1	0	275.308	0.118	20	30		CCEDRM
C#CC[C@@H](NC(=O)[C@@H](OCC)C1CCOCC1)C(=O)[O-]	ZINC000910049010	613040733	/nfs/dbraw/zinc/04/07/33/613040733.db2.gz	QZNBWMNOLNAFBY-NEPJUHHUSA-N	-1	0	283.324	0.411	20	30		CCEDRM
C#CC[C@@H](NC(=O)[C@H](C)Oc1ccccn1)C(=O)[O-]	ZINC000910051459	613041030	/nfs/dbraw/zinc/04/10/30/613041030.db2.gz	VPOOLHZUBXAGQM-VHSXEESVSA-N	-1	0	262.265	0.442	20	30		CCEDRM
C#CC[C@@H]1CCCN(C(=O)NCC(=O)[N-]OCC)C1	ZINC000845531565	613044618	/nfs/dbraw/zinc/04/46/18/613044618.db2.gz	BXTWWFGQNSGRGO-LLVKDONJSA-N	-1	0	267.329	0.499	20	30		CCEDRM
C#CCCNC(=O)c1cc(=O)n(-c2nc(C)cc(C)n2)[n-]1	ZINC000900708739	613047909	/nfs/dbraw/zinc/04/79/09/613047909.db2.gz	KGMYTDLCPDTBNG-UHFFFAOYSA-N	-1	0	285.307	0.326	20	30		CCEDRM
C#CCCS(=O)(=O)[N-]C(=O)[C@@H]1CCC(=O)C[C@@H]1C	ZINC000798202495	613053122	/nfs/dbraw/zinc/05/31/22/613053122.db2.gz	GXAAYEJNYRORPQ-GXSJLCMTSA-N	-1	0	271.338	0.461	20	30		CCEDRM
C#CCCS(=O)(=O)[N-]C(=O)[C@](C)(OC)C1CC1	ZINC000813094271	613053315	/nfs/dbraw/zinc/05/33/15/613053315.db2.gz	JXZILRWPMFCCJV-LLVKDONJSA-N	-1	0	259.327	0.271	20	30		CCEDRM
C#CCCS(=O)(=O)[N-]C(=O)[C@H]1COc2ccccc21	ZINC000810784900	613053328	/nfs/dbraw/zinc/05/33/28/613053328.db2.gz	SAGUNOFZZLYFPO-NSHDSACASA-N	-1	0	279.317	0.632	20	30		CCEDRM
C#CCCS(=O)(=O)[N-]C(=O)c1cc(CCC)n[nH]1	ZINC000810783921	613053614	/nfs/dbraw/zinc/05/36/14/613053614.db2.gz	KFZVPEWAEBTJKU-UHFFFAOYSA-N	-1	0	269.326	0.445	20	30		CCEDRM
C#CCCS(=O)(=O)[N-]C(=O)c1ccc2oc(=O)[nH]c2c1	ZINC000810778844	613053623	/nfs/dbraw/zinc/05/36/23/613053623.db2.gz	PACOERVKZTVLQL-UHFFFAOYSA-N	-1	0	294.288	0.616	20	30		CCEDRM
C#CCN(C(=O)CCn1cc(C#N)c(=O)[n-]c1=O)C(C)C	ZINC000928622447	613065542	/nfs/dbraw/zinc/06/55/42/613065542.db2.gz	CKODMMVTIQZTIS-UHFFFAOYSA-N	-1	0	288.307	0.081	20	30		CCEDRM
C#CC[C@H](NC(=O)Cc1ccc(O)c(OC)c1)C(=O)[O-]	ZINC000910050968	613068353	/nfs/dbraw/zinc/06/83/53/613068353.db2.gz	BWGPTXCIIHNNPD-JTQLQIEISA-N	-1	0	277.276	0.536	20	30		CCEDRM
C#CC[C@H](NC(=O)[C@@H](O)CCc1ccccc1)C(=O)[O-]	ZINC000910052083	613068566	/nfs/dbraw/zinc/06/85/66/613068566.db2.gz	NQSGRBWDAJACBB-STQMWFEESA-N	-1	0	275.304	0.573	20	30		CCEDRM
C#CC[C@H](NC(=O)c1cc(C(F)(F)F)ncn1)C(=O)[O-]	ZINC000910048562	613069938	/nfs/dbraw/zinc/06/99/38/613069938.db2.gz	MOEBTKRFLXWHQN-LURJTMIESA-N	-1	0	287.197	0.702	20	30		CCEDRM
C#CC[C@H](NC(=O)c1cc(N(C)C)ccn1)C(=O)[O-]	ZINC000910052043	613070163	/nfs/dbraw/zinc/07/01/63/613070163.db2.gz	LXEZDPRCNGCTBE-JTQLQIEISA-N	-1	0	261.281	0.354	20	30		CCEDRM
C#CC[C@H](NC(=O)c1cn(CCC=C)nn1)C(=O)[O-]	ZINC000910045400	613070382	/nfs/dbraw/zinc/07/03/82/613070382.db2.gz	CLWPDWFHSYQDFW-VIFPVBQESA-N	-1	0	262.269	0.061	20	30		CCEDRM
C#CC[C@H](NC(=O)c1cnn(C(C)(C)C)c1)C(=O)[O-]	ZINC000910052741	613070561	/nfs/dbraw/zinc/07/05/61/613070561.db2.gz	HSLQYQJLGPKTPJ-JTQLQIEISA-N	-1	0	263.297	0.844	20	30		CCEDRM
C#CCN(CC#C)CC(=O)N[C@H](C(=O)[O-])[C@H](C)CC	ZINC000825608855	613099098	/nfs/dbraw/zinc/09/90/98/613099098.db2.gz	MQUKSIZSWZATAW-YPMHNXCESA-N	-1	0	264.325	0.170	20	30		CCEDRM
C#CCN(CC#CC)C(=O)[C@@H](C)CN(C)C(=O)[O-]	ZINC000823450358	613099952	/nfs/dbraw/zinc/09/99/52/613099952.db2.gz	AJIGOYQZDPUCEJ-NSHDSACASA-N	-1	0	250.298	0.717	20	30		CCEDRM
C#CCN(CC(=O)[O-])S(=O)(=O)CCC1CCOCC1	ZINC000849218878	613103550	/nfs/dbraw/zinc/10/35/50/613103550.db2.gz	LFSZRHTZIPBEGW-UHFFFAOYSA-N	-1	0	289.353	0.153	20	30		CCEDRM
C#CCN(CC(=O)[O-])S(=O)(=O)c1cnn(CC2CC2)c1	ZINC000849219347	613104011	/nfs/dbraw/zinc/10/40/11/613104011.db2.gz	QEZBVTPOVYGZGW-UHFFFAOYSA-N	-1	0	297.336	0.002	20	30		CCEDRM
C#CCN(CC)C(=O)CO[C@@H]1CCCN(C(=O)[O-])C1	ZINC000823451060	613105634	/nfs/dbraw/zinc/10/56/34/613105634.db2.gz	MMOBWRQIPDJPSN-LLVKDONJSA-N	-1	0	268.313	0.627	20	30		CCEDRM
C#C[C@H](C)NS(=O)(=O)c1cnn(C)c1Br	ZINC000867199164	613119018	/nfs/dbraw/zinc/11/90/18/613119018.db2.gz	VSFCNLYFBRLGOM-LURJTMIESA-N	-1	0	292.158	0.483	20	30		CCEDRM
C#C[C@H](NC(=O)CCCc1nnn[n-]1)C1CCOCC1	ZINC000824694071	613132959	/nfs/dbraw/zinc/13/29/59/613132959.db2.gz	SSJPVJXZFVWOPM-NSHDSACASA-N	-1	0	277.328	0.067	20	30		CCEDRM
C#C[C@H](NC(=O)N1C[C@@H]2COC[C@]2(C(=O)[O-])C1)C(C)C	ZINC000851651814	613138130	/nfs/dbraw/zinc/13/81/30/613138130.db2.gz	OQAWOYDCPPKMSU-UHIISALHSA-N	-1	0	280.324	0.387	20	30		CCEDRM
C#C[C@H](NC(=O)NC[C@@H](C(=O)[O-])C(C)C)[C@H]1CCCO1	ZINC000848583288	613140193	/nfs/dbraw/zinc/14/01/93/613140193.db2.gz	WLURTWVYTQEQEB-GRYCIOLGSA-N	-1	0	282.340	0.823	20	30		CCEDRM
C#C[C@H](NC(=O)[C@@H]1C[C@H]1C(=O)[O-])C1CCOCC1	ZINC000907847005	613146449	/nfs/dbraw/zinc/14/64/49/613146449.db2.gz	LMCOCUVKQLRQRB-MXWKQRLJSA-N	-1	0	251.282	0.252	20	30		CCEDRM
C#C[C@H](NC(=O)c1cncc(C(=O)[O-])c1)[C@H]1CCCO1	ZINC000911579758	613149396	/nfs/dbraw/zinc/14/93/96/613149396.db2.gz	PMVFFQRKJYECEG-NWDGAFQWSA-N	-1	0	274.276	0.690	20	30		CCEDRM
C#CCN1CCN(C(=O)[C@H](C)CN(C)C(=O)[O-])CC1	ZINC000823450724	613207510	/nfs/dbraw/zinc/20/75/10/613207510.db2.gz	HLILSBIRQRTCAA-LLVKDONJSA-N	-1	0	267.329	0.010	20	30		CCEDRM
C#Cc1cncc(C(=O)N2C[C@H](OC)C[C@]2(C)C(=O)[O-])c1	ZINC000910261626	613215818	/nfs/dbraw/zinc/21/58/18/613215818.db2.gz	DVVXMBCMFPXIMX-IUODEOHRSA-N	-1	0	288.303	0.767	20	30		CCEDRM
C#Cc1cncc(C(=O)N[C@H](CSC)C(=O)[O-])c1	ZINC000910875127	613221190	/nfs/dbraw/zinc/22/11/90/613221190.db2.gz	HRJFOEATVYMPOD-SNVBAGLBSA-N	-1	0	264.306	0.609	20	30		CCEDRM
C=C(C)C(C)(C)C(=O)[N-]S(=O)(=O)CC(=O)OCC	ZINC000820468471	613244482	/nfs/dbraw/zinc/24/44/82/613244482.db2.gz	JFOCISMAPURBJA-UHFFFAOYSA-N	-1	0	277.342	0.598	20	30		CCEDRM
C#CCNC(=O)COC(=O)C1CCC(C(=O)[O-])CC1	ZINC000833365844	613331445	/nfs/dbraw/zinc/33/14/45/613331445.db2.gz	UGVDWFXMQCEYFU-UHFFFAOYSA-N	-1	0	267.281	0.170	20	30		CCEDRM
C=C(C)COCCNC(=O)COC1CN(C(=O)[O-])C1	ZINC000823480394	613351879	/nfs/dbraw/zinc/35/18/79/613351879.db2.gz	AUMMXUUBHCHGKR-UHFFFAOYSA-N	-1	0	272.301	0.074	20	30		CCEDRM
C=C(C)CO[N-]C(=O)C(=O)Nc1nn(C)cc1C	ZINC000850477078	613352354	/nfs/dbraw/zinc/35/23/54/613352354.db2.gz	RYKDYZQEOQCMFZ-UHFFFAOYSA-N	-1	0	252.274	0.291	20	30		CCEDRM
C=C(C)CO[N-]C(=O)C(=O)Nc1ccc(OC)nc1	ZINC000846150586	613352378	/nfs/dbraw/zinc/35/23/78/613352378.db2.gz	JFIKBOYWYPKHDY-UHFFFAOYSA-N	-1	0	265.269	0.653	20	30		CCEDRM
C=C(C)CS(=O)(=O)NC[C@@H]1[C@H](C(=O)[O-])C1(F)F	ZINC000903004571	613354098	/nfs/dbraw/zinc/35/40/98/613354098.db2.gz	FGADNWKUXDGATA-RNFRBKRXSA-N	-1	0	269.269	0.448	20	30		CCEDRM
C=C(C)CS(=O)(=O)N[C@@H](C(=O)[O-])[C@H](O)c1ccccc1	ZINC000844785764	613354300	/nfs/dbraw/zinc/35/43/00/613354300.db2.gz	MSSQJMWBIZNABS-VXGBXAGGSA-N	-1	0	299.348	0.669	20	30		CCEDRM
C=C(C)CS(=O)(=O)N[C@H]1CCOC[C@H]1CC(=O)[O-]	ZINC000899949679	613354371	/nfs/dbraw/zinc/35/43/71/613354371.db2.gz	KBQJWRKTWAJCNH-ZJUUUORDSA-N	-1	0	277.342	0.362	20	30		CCEDRM
C=C(C)C[C@@H](NC(=O)CCc1cncnc1)C(=O)[O-]	ZINC000910293153	613355705	/nfs/dbraw/zinc/35/57/05/613355705.db2.gz	UXJKERJYSYLHRM-LLVKDONJSA-N	-1	0	263.297	0.945	20	30		CCEDRM
C=C(C)C[C@@H](NC(=O)CCn1ccnn1)C(=O)[O-]	ZINC000910286020	613355754	/nfs/dbraw/zinc/35/57/54/613355754.db2.gz	DZULZKCZPXESHV-SECBINFHSA-N	-1	0	252.274	0.204	20	30		CCEDRM
C=C(C)C[C@@H](NC(=O)CCc1ncc[nH]1)C(=O)[O-]	ZINC000910293424	613355783	/nfs/dbraw/zinc/35/57/83/613355783.db2.gz	YNSNSXXXCHMAGZ-SECBINFHSA-N	-1	0	251.286	0.878	20	30		CCEDRM
C=C(C)C[C@@H](NS(=O)(=O)c1cccn1C)C(=O)[O-]	ZINC000864450839	613356913	/nfs/dbraw/zinc/35/69/13/613356913.db2.gz	AIHSCKXFWVQUDW-SECBINFHSA-N	-1	0	272.326	0.723	20	30		CCEDRM
C=C(C)C[C@H](NC(=O)CCc1ncc[nH]1)C(=O)[O-]	ZINC000910293425	613358700	/nfs/dbraw/zinc/35/87/00/613358700.db2.gz	YNSNSXXXCHMAGZ-VIFPVBQESA-N	-1	0	251.286	0.878	20	30		CCEDRM
C=C(C)C[C@H](NC(=O)Cc1cnn(CC)c1)C(=O)[O-]	ZINC000910291770	613358801	/nfs/dbraw/zinc/35/88/01/613358801.db2.gz	AVONQQQUJORYFI-NSHDSACASA-N	-1	0	265.313	0.981	20	30		CCEDRM
C=C(C)C[C@H](NC(=O)NCc1ccn(C)n1)C(=O)[O-]	ZINC000908963336	613358804	/nfs/dbraw/zinc/35/88/04/613358804.db2.gz	WASWLYPAVDHEKU-JTQLQIEISA-N	-1	0	266.301	0.639	20	30		CCEDRM
C=C(C)C[C@H](NC(=O)c1cnn(CCOC)c1)C(=O)[O-]	ZINC000910294387	613359181	/nfs/dbraw/zinc/35/91/81/613359181.db2.gz	QKXDGPBBEVDAPH-NSHDSACASA-N	-1	0	281.312	0.679	20	30		CCEDRM
C=C(C)[C@@H]1OCC[C@H]1CNC(=O)[C@@H]1CC[C@H](C(=O)[O-])O1	ZINC000864178579	613362096	/nfs/dbraw/zinc/36/20/96/613362096.db2.gz	FMEKXQWLZYMZCW-YFKTTZPYSA-N	-1	0	283.324	0.716	20	30		CCEDRM
C=C(C)[C@H]1OCC[C@@H]1CNC(=O)[C@@H]1C[C@H]1C(=O)[O-]	ZINC000907737088	613362797	/nfs/dbraw/zinc/36/27/97/613362797.db2.gz	NDZKZBLLIOKUEW-GWOFURMSSA-N	-1	0	253.298	0.805	20	30		CCEDRM
C=C(Cl)CNC(=O)[C@H](O)c1ccc(-c2nn[nH]n2)cc1	ZINC000823883615	613383719	/nfs/dbraw/zinc/38/37/19/613383719.db2.gz	VOOQLDTZZQYFBH-SNVBAGLBSA-N	-1	0	293.714	0.769	20	30		CCEDRM
C=C(Cl)C[C@@H](NC(=O)CCc1cn(C)nn1)C(=O)[O-]	ZINC000864185787	613388521	/nfs/dbraw/zinc/38/85/21/613388521.db2.gz	CGHZSVBNQYHUFQ-SECBINFHSA-N	-1	0	286.719	0.460	20	30		CCEDRM
C=C(Cl)C[C@@H](NC(=O)Cn1ccnc1)C(=O)[O-]	ZINC000910266109	613388626	/nfs/dbraw/zinc/38/86/26/613388626.db2.gz	JWNYTYKTQHROSX-MRVPVSSYSA-N	-1	0	257.677	0.595	20	30		CCEDRM
C=C(Cl)C[C@H](NC(=O)NOC[C@@H]1CCOC1)C(=O)[O-]	ZINC000909250535	613390666	/nfs/dbraw/zinc/39/06/66/613390666.db2.gz	DBNQOAYJDHBAQU-BDAKNGLRSA-N	-1	0	292.719	0.850	20	30		CCEDRM
C=C(Cl)C[C@H](NC(=O)[C@H](OC)[C@H]1CCOC1)C(=O)[O-]	ZINC000864186591	613390764	/nfs/dbraw/zinc/39/07/64/613390764.db2.gz	SOWMEKYWQJDBEX-LPEHRKFASA-N	-1	0	291.731	0.750	20	30		CCEDRM
C=C(Cl)C[C@H](NS(=O)(=O)CCCOC)C(=O)[O-]	ZINC000863419621	613390781	/nfs/dbraw/zinc/39/07/81/613390781.db2.gz	DOCVCSSKRCHSFT-QMMMGPOBSA-N	-1	0	285.749	0.538	20	30		CCEDRM
C=C(Cl)C[C@H](NC(=O)[C@H](C)n1cncn1)C(=O)[O-]	ZINC000864183731	613390816	/nfs/dbraw/zinc/39/08/16/613390816.db2.gz	HWGQWHDEVGOXIV-YUMQZZPRSA-N	-1	0	272.692	0.551	20	30		CCEDRM
C=C(Cl)C[C@H](NS(=O)(=O)C[C@H]1CCOC1)C(=O)[O-]	ZINC000863420166	613390960	/nfs/dbraw/zinc/39/09/60/613390960.db2.gz	KRBLTBZDYIJCIQ-IUCAKERBSA-N	-1	0	297.760	0.538	20	30		CCEDRM
C=CCS(=O)(=O)[N-]C(=O)c1ocnc1C(F)F	ZINC000860630724	613394877	/nfs/dbraw/zinc/39/48/77/613394877.db2.gz	AHUBWWXRNAGQDW-UHFFFAOYSA-N	-1	0	266.225	0.858	20	30		CCEDRM
C=CCS(=O)(=O)[N-]C(=O)c1n[nH]c2c1C[C@H](C)CC2	ZINC000892883647	613394945	/nfs/dbraw/zinc/39/49/45/613394945.db2.gz	XYAZIUGDQNTICP-MRVPVSSYSA-N	-1	0	283.353	0.780	20	30		CCEDRM
C=C1CCC(C(=O)NCCC(=O)[N-]S(C)(=O)=O)CC1	ZINC000907684745	613407946	/nfs/dbraw/zinc/40/79/46/613407946.db2.gz	VJMGFJQXZMPQOJ-UHFFFAOYSA-N	-1	0	288.369	0.315	20	30		CCEDRM
C=CC[C@@H]1CCN(C(=O)NCC(=O)[N-]OCC)C1	ZINC000858589636	613408473	/nfs/dbraw/zinc/40/84/73/613408473.db2.gz	RUDZNWLVGDFGSP-SNVBAGLBSA-N	-1	0	255.318	0.662	20	30		CCEDRM
C=C1CCC(C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)[O-])CC1	ZINC000910284621	613409489	/nfs/dbraw/zinc/40/94/89/613409489.db2.gz	SQIDUQHDCGTPFI-UWVGGRQHSA-N	-1	0	282.340	0.827	20	30		CCEDRM
C=CC[C@H](C(=O)OC)N1CCC(c2n[nH]c(=O)[n-]2)CC1	ZINC000878538757	613410292	/nfs/dbraw/zinc/41/02/92/613410292.db2.gz	GYMGFXOYSYJLNT-SNVBAGLBSA-N	-1	0	280.328	0.807	20	30		CCEDRM
C=CC[C@H](CO)CNC(=O)Cc1cc(=O)n(CC(C)C)[n-]1	ZINC000935235822	613415240	/nfs/dbraw/zinc/41/52/40/613415240.db2.gz	OBQGQOGIFRVSGJ-LBPRGKRZSA-N	-1	0	295.383	0.676	20	30		CCEDRM
C=CC[C@H](CO)CNC(=O)[C@@H]1CC[C@H](CCC(=O)[O-])O1	ZINC000911651002	613415512	/nfs/dbraw/zinc/41/55/12/613415512.db2.gz	JUQJRODQZDGEGG-TUAOUCFPSA-N	-1	0	285.340	0.700	20	30		CCEDRM
C=CCn1cc(C(=O)N2CC[C@@H](C(=O)[O-])[C@H]2C)nn1	ZINC000844155483	613426148	/nfs/dbraw/zinc/42/61/48/613426148.db2.gz	PDEUKJZYAPYMSY-RKDXNWHRSA-N	-1	0	264.285	0.399	20	30		CCEDRM
C=C[C@@H](C)O[N-]C(=O)CN(C)C(=O)[C@H](C)n1cccn1	ZINC000846550770	613443471	/nfs/dbraw/zinc/44/34/71/613443471.db2.gz	REQVESGQRCGYOR-MNOVXSKESA-N	-1	0	280.328	0.525	20	30		CCEDRM
C=C[C@@H](C)O[N-]C(=O)CS(=O)(=O)NC(C)(C)C	ZINC000846547984	613443707	/nfs/dbraw/zinc/44/37/07/613443707.db2.gz	CJWOEZMRJNPPKY-MRVPVSSYSA-N	-1	0	264.347	0.327	20	30		CCEDRM
C=C[C@@H](C)O[N-]C(=O)Cn1cccc(C(=O)OC)c1=O	ZINC000824034111	613444165	/nfs/dbraw/zinc/44/41/65/613444165.db2.gz	XNLQNXVKJVZHIB-SECBINFHSA-N	-1	0	280.280	0.257	20	30		CCEDRM
C=C[C@@H](C)O[N-]C(=O)[C@H](OC)C(=O)OC(C)(C)C	ZINC000869153779	613447089	/nfs/dbraw/zinc/44/70/89/613447089.db2.gz	GHGMMBWYTLQVPP-BDAKNGLRSA-N	-1	0	259.302	0.965	20	30		CCEDRM
C=C[C@@H](C)O[N-]C(=O)[C@@H](NS(C)(=O)=O)C(C)(C)C	ZINC000846550918	613447105	/nfs/dbraw/zinc/44/71/05/613447105.db2.gz	ZQZMHQYJBGRUPI-RKDXNWHRSA-N	-1	0	278.374	0.573	20	30		CCEDRM
C=C[C@@H](CC)CC(=O)N1CCC[C@@H]1C(=O)NCC(=O)[O-]	ZINC000907772500	613448201	/nfs/dbraw/zinc/44/82/01/613448201.db2.gz	QSNVXLPKZREWIG-WDEREUQCSA-N	-1	0	282.340	0.781	20	30		CCEDRM
C=C[C@@H](O)C(=O)N1CC2(CCC2)[C@](F)(C(=O)[O-])C1	ZINC000909940650	613449435	/nfs/dbraw/zinc/44/94/35/613449435.db2.gz	LWONBYNIZYEFBY-PRHODGIISA-N	-1	0	257.261	0.339	20	30		CCEDRM
C=CC1(S(=O)(=O)[N-]C(=O)/C=C/c2cnn(C)c2)CC1	ZINC000870830860	613449758	/nfs/dbraw/zinc/44/97/58/613449758.db2.gz	JPVRMBXOFOALBL-SNAWJCMRSA-N	-1	0	281.337	0.598	20	30		CCEDRM
C=CC1(S(=O)(=O)[N-]C(=O)C2(C(=O)NC)CCC2)CC1	ZINC000870832370	613450345	/nfs/dbraw/zinc/45/03/45/613450345.db2.gz	FHIBEMGBTICDFZ-UHFFFAOYSA-N	-1	0	286.353	0.067	20	30		CCEDRM
C=CC1(S(=O)(=O)[N-]C(=O)CO[C@@H](C)CC)CC1	ZINC000870834223	613450815	/nfs/dbraw/zinc/45/08/15/613450815.db2.gz	SAKJTUMHVLTOFX-VIFPVBQESA-N	-1	0	261.343	0.966	20	30		CCEDRM
C=CC1(S(=O)(=O)[N-]C(=O)[C@H](OC)[C@@H]2CCOC2)CC1	ZINC000870838648	613451652	/nfs/dbraw/zinc/45/16/52/613451652.db2.gz	IXKPTDDBXVKMCY-NXEZZACHSA-N	-1	0	289.353	0.203	20	30		CCEDRM
C=C[C@@H](O)C(=O)NC[C@H](CC1CCCC1)C(=O)[O-]	ZINC000908288857	613451667	/nfs/dbraw/zinc/45/16/67/613451667.db2.gz	OVDVPYURHHAZNK-WDEREUQCSA-N	-1	0	255.314	0.931	20	30		CCEDRM
C=C[C@@H](O)C(=O)NC[C@@H](Cc1ccccc1)C(=O)[O-]	ZINC000909179694	613451733	/nfs/dbraw/zinc/45/17/33/613451733.db2.gz	IRXNQWRYMONQGB-VXGBXAGGSA-N	-1	0	263.293	0.593	20	30		CCEDRM
C=CC1(S(=O)(=O)[N-]C(=O)c2ccc(OC)nc2)CC1	ZINC000870830677	613451944	/nfs/dbraw/zinc/45/19/44/613451944.db2.gz	BPZKVEDKUDLPJK-UHFFFAOYSA-N	-1	0	282.321	0.868	20	30		CCEDRM
C=C[C@@H](O)C(=O)N[C@@H](CC(=O)[O-])c1ccc(OC)cc1	ZINC000908595339	613452174	/nfs/dbraw/zinc/45/21/74/613452174.db2.gz	PQHVCXKHNDENMU-NWDGAFQWSA-N	-1	0	279.292	0.874	20	30		CCEDRM
C=CC1(S(=O)(=O)[N-]C(=O)c2cncnc2)CC1	ZINC000870836064	613452349	/nfs/dbraw/zinc/45/23/49/613452349.db2.gz	PDIBHLNRWOBPDY-UHFFFAOYSA-N	-1	0	253.283	0.255	20	30		CCEDRM
C=CCC1(C(=O)[O-])CN(S(=O)(=O)CCCF)C1	ZINC000906007058	613457143	/nfs/dbraw/zinc/45/71/43/613457143.db2.gz	SNVJKZLIWUVBGU-UHFFFAOYSA-N	-1	0	265.306	0.639	20	30		CCEDRM
C=CCC1(S(=O)(=O)[N-]C(=O)c2cc3n(n2)CCO3)CC1	ZINC000810983914	613461451	/nfs/dbraw/zinc/46/14/51/613461451.db2.gz	LMANFOSZSAYTQG-UHFFFAOYSA-N	-1	0	297.336	0.444	20	30		CCEDRM
C=CCCC(=O)[N-]S(=O)(=O)c1cnn([C@H]2CCOC2)c1	ZINC000816463996	613463047	/nfs/dbraw/zinc/46/30/47/613463047.db2.gz	USLVOIJFQHXDQG-JTQLQIEISA-N	-1	0	299.352	0.616	20	30		CCEDRM
C=C[C@@H]1OCC[C@H]1C(=O)[N-]S(=O)(=O)CC1CC1	ZINC000835158605	613465679	/nfs/dbraw/zinc/46/56/79/613465679.db2.gz	NQZRXVKHWNAXII-ZJUUUORDSA-N	-1	0	259.327	0.434	20	30		CCEDRM
C=CCCCN(CC)C(=O)c1n[nH]c(=O)[n-]c1=O	ZINC000890811953	613466918	/nfs/dbraw/zinc/46/69/18/613466918.db2.gz	PVZNOSVJRQPPPC-UHFFFAOYSA-N	-1	0	252.274	0.711	20	30		CCEDRM
C=CCCC[C@@H](NC(=O)[C@H](O)C1CCOCC1)C(=O)[O-]	ZINC000910915828	613471067	/nfs/dbraw/zinc/47/10/67/613471067.db2.gz	BNUGEFHFMDIJNV-VXGBXAGGSA-N	-1	0	285.340	0.700	20	30		CCEDRM
C=C[C@@H]1OCC[C@H]1NC(=O)N[C@H]1C[C@H](C(=O)[O-])C1	ZINC000874402754	613471152	/nfs/dbraw/zinc/47/11/52/613471152.db2.gz	DDSWZJCTTBGMKY-KYXWUPHJSA-N	-1	0	254.286	0.492	20	30		CCEDRM
C=CCCC[C@H](NC(=O)C1(C(=O)NC)CCC1)C(=O)[O-]	ZINC000910915286	613472989	/nfs/dbraw/zinc/47/29/89/613472989.db2.gz	XCJAILGOODNOJV-JTQLQIEISA-N	-1	0	282.340	0.828	20	30		CCEDRM
C=CCCC[C@H](NC(=O)CN1CCOCC1)C(=O)[O-]	ZINC000910922848	613473496	/nfs/dbraw/zinc/47/34/96/613473496.db2.gz	NMYRLSLVFCQRPK-NSHDSACASA-N	-1	0	270.329	0.244	20	30		CCEDRM
C=CCCC[C@H](NS(=O)(=O)[C@@H]1CCO[C@@H]1C)C(=O)[O-]	ZINC000903057782	613474719	/nfs/dbraw/zinc/47/47/19/613474719.db2.gz	AIINEGKUVXTKBD-OUAUKWLOSA-N	-1	0	291.369	0.893	20	30		CCEDRM
C=CCCC[C@H](NS(=O)(=O)[C@@H]1CCO[C@H]1C)C(=O)[O-]	ZINC000903057781	613474729	/nfs/dbraw/zinc/47/47/29/613474729.db2.gz	AIINEGKUVXTKBD-GARJFASQSA-N	-1	0	291.369	0.893	20	30		CCEDRM
C=C[C@@](C)(O)C(=O)N1CC2(CCC2)[C@@](F)(C(=O)[O-])C1	ZINC000909937057	613477171	/nfs/dbraw/zinc/47/71/71/613477171.db2.gz	AIPWPVIXOUKTAA-YPMHNXCESA-N	-1	0	271.288	0.729	20	30		CCEDRM
C=C[C@H](C)NC(=O)c1cc(=O)n(-c2nc(C)cc(C)n2)[n-]1	ZINC000901020128	613482919	/nfs/dbraw/zinc/48/29/19/613482919.db2.gz	SBAORNBWVATRRM-QMMMGPOBSA-N	-1	0	287.323	0.877	20	30		CCEDRM
C=C[C@H](C)O[N-]C(=O)[C@@H](C(C)C)N1CCCS1(=O)=O	ZINC000846549915	613487853	/nfs/dbraw/zinc/48/78/53/613487853.db2.gz	UNUHJZATDHHWMJ-WDEREUQCSA-N	-1	0	290.385	0.669	20	30		CCEDRM
C=C[C@H](O)C(=O)N1CCC(n2ncc(C(=O)[O-])c2C)CC1	ZINC000909819695	613494054	/nfs/dbraw/zinc/49/40/54/613494054.db2.gz	MBERHWUAUKYIOC-LBPRGKRZSA-N	-1	0	293.323	0.600	20	30		CCEDRM
C=C[C@H](O)C(=O)N[C@H](CC(=O)[O-])c1ccc(OC)cc1	ZINC000908595338	613497611	/nfs/dbraw/zinc/49/76/11/613497611.db2.gz	PQHVCXKHNDENMU-NEPJUHHUSA-N	-1	0	279.292	0.874	20	30		CCEDRM
C=C[C@](C)(O)C(=O)N1CCC(n2cc(C(=O)[O-])cn2)CC1	ZINC000909834396	613506430	/nfs/dbraw/zinc/50/64/30/613506430.db2.gz	VDXVMPKVUWOJAH-AWEZNQCLSA-N	-1	0	293.323	0.682	20	30		CCEDRM
C=C[C@](C)(O)C(=O)NC[C@@H](Oc1ccc(F)cc1)C(=O)[O-]	ZINC000909388138	613507674	/nfs/dbraw/zinc/50/76/74/613507674.db2.gz	LWXGLTVOFOEAEJ-RISCZKNCSA-N	-1	0	297.282	0.711	20	30		CCEDRM
C=C[C@](C)(O)C(=O)N[C@@H](C)C1(C(=O)[O-])CCOCC1	ZINC000907919368	613508066	/nfs/dbraw/zinc/50/80/66/613508066.db2.gz	KPHFXIVLGVVKOR-CABZTGNLSA-N	-1	0	271.313	0.310	20	30		CCEDRM
C=C[C@](C)(O)C(=O)N[C@@H](CC(=O)[O-])C(F)(F)F	ZINC000911157690	613508093	/nfs/dbraw/zinc/50/80/93/613508093.db2.gz	KXTBNKGCERARPA-XNCJUZBTSA-N	-1	0	255.192	0.445	20	30		CCEDRM
CC#CCCCC(=O)[N-]S(=O)(=O)c1cnc(OC)nc1	ZINC000893773308	613520650	/nfs/dbraw/zinc/52/06/50/613520650.db2.gz	MRVBIVKVIWANAX-UHFFFAOYSA-N	-1	0	297.336	0.484	20	30		CCEDRM
CC#CCCNC(=O)N(C)[C@H](COCC)C(=O)[O-]	ZINC000909032695	613521482	/nfs/dbraw/zinc/52/14/82/613521482.db2.gz	ZZQVQGIUKPQPQY-SNVBAGLBSA-N	-1	0	256.302	0.531	20	30		CCEDRM
CC#CCN1C(=O)NC2(CCN(C(=O)[O-])CC2)C1=O	ZINC000823522043	613525213	/nfs/dbraw/zinc/52/52/13/613525213.db2.gz	QCPOFNWOTWKRJF-UHFFFAOYSA-N	-1	0	265.269	0.074	20	30		CCEDRM
C=CCCS(=O)(=O)N1CCC[C@H](CNC(=O)[O-])C1	ZINC000823501596	613580582	/nfs/dbraw/zinc/58/05/82/613580582.db2.gz	ZSPUNAQLDWCBGD-SNVBAGLBSA-N	-1	0	276.358	0.872	20	30		CCEDRM
C=CCCS(=O)(=O)N[C@@H]1CCC[C@@H]1CNC(=O)[O-]	ZINC000823501018	613581592	/nfs/dbraw/zinc/58/15/92/613581592.db2.gz	PSMOAXGNCCTDLS-NXEZZACHSA-N	-1	0	276.358	0.918	20	30		CCEDRM
C=CCCOCC(=O)N1CCC(c2nnn[n-]2)CC1	ZINC000913743452	613571554	/nfs/dbraw/zinc/57/15/54/613571554.db2.gz	WMAMSTIPVWZTCF-UHFFFAOYSA-N	-1	0	265.317	0.498	20	30		CCEDRM
C=CCCO[N-]C(=O)CN1C(=O)[C@@H]2CCCC[C@@H]2C1=O	ZINC000856028081	613576739	/nfs/dbraw/zinc/57/67/39/613576739.db2.gz	AFJTXTRSUSKIDU-PHIMTYICSA-N	-1	0	280.324	0.786	20	30		CCEDRM
C=CCCO[N-]C(=O)COCc1nc(CC)no1	ZINC000825556426	613576774	/nfs/dbraw/zinc/57/67/74/613576774.db2.gz	NDDAODIFKFLKKA-UHFFFAOYSA-N	-1	0	255.274	0.773	20	30		CCEDRM
C=CCCO[N-]C(=O)CN1CCCCS1(=O)=O	ZINC000880725107	613576875	/nfs/dbraw/zinc/57/68/75/613576875.db2.gz	NVCUZFUCSLECIT-UHFFFAOYSA-N	-1	0	262.331	0.036	20	30		CCEDRM
C=CCCO[C@H](C)C(=O)N1CC[C@](O)(C(=O)[O-])C1	ZINC000910531195	613579108	/nfs/dbraw/zinc/57/91/08/613579108.db2.gz	QSISPDWYTFFWCU-BXKDBHETSA-N	-1	0	257.286	0.016	20	30		CCEDRM
C=CCCS(=O)(=O)N[C@H]1CCC[C@H]1CNC(=O)[O-]	ZINC000823501019	613582133	/nfs/dbraw/zinc/58/21/33/613582133.db2.gz	PSMOAXGNCCTDLS-UWVGGRQHSA-N	-1	0	276.358	0.918	20	30		CCEDRM
C=CCC[C@@H](NC(=O)c1cn(CCOC)nc1C)C(=O)[O-]	ZINC000909716053	613585893	/nfs/dbraw/zinc/58/58/93/613585893.db2.gz	PHMPZKKJJBJHSL-GFCCVEGCSA-N	-1	0	295.339	0.987	20	30		CCEDRM
C=CCC[C@@H](NC(=O)c1csc(CO)n1)C(=O)[O-]	ZINC000909716146	613585909	/nfs/dbraw/zinc/58/59/09/613585909.db2.gz	PULUASHHAFGKGA-SSDOTTSWSA-N	-1	0	270.310	0.785	20	30		CCEDRM
C=CCC[C@H](NC(=O)Cc1cncn1C)C(=O)[O-]	ZINC000909714438	613589444	/nfs/dbraw/zinc/58/94/44/613589444.db2.gz	WUEYHMLZTZPURS-JTQLQIEISA-N	-1	0	251.286	0.498	20	30		CCEDRM
C=CCC[C@H](NC(=O)N[C@H](C)[C@H]1CN(C)CCO1)C(=O)[O-]	ZINC000929049934	613589985	/nfs/dbraw/zinc/58/99/85/613589985.db2.gz	NQWXSCINHUIQAV-GRYCIOLGSA-N	-1	0	299.371	0.424	20	30		CCEDRM
C=CCC[C@H](NS(=O)(=O)c1cnc(C)n1C)C(=O)[O-]	ZINC000863407503	613590409	/nfs/dbraw/zinc/59/04/09/613590409.db2.gz	RVXKZACHOXRTDZ-VIFPVBQESA-N	-1	0	287.341	0.426	20	30		CCEDRM
C=CCCn1cc(C(=O)N2C[C@H]3[C@H](C(=O)[O-])[C@H]3C2)nn1	ZINC000910802126	613593931	/nfs/dbraw/zinc/59/39/31/613593931.db2.gz	XBAXJNDHIUPYBI-JZYVYDRUSA-N	-1	0	276.296	0.257	20	30		CCEDRM
C=CCCn1cc(C(=O)[N-]S(=O)(=O)CC(F)F)nn1	ZINC000851363651	613594930	/nfs/dbraw/zinc/59/49/30/613594930.db2.gz	GGELQGYYOWDKOF-UHFFFAOYSA-N	-1	0	294.283	0.179	20	30		CCEDRM
C=CCCn1cc(C(=O)[N-]S(=O)(=O)CC2CCC2)nn1	ZINC000820381542	613595031	/nfs/dbraw/zinc/59/50/31/613595031.db2.gz	LECRALATGDSPKI-UHFFFAOYSA-N	-1	0	298.368	0.714	20	30		CCEDRM
C=CCCn1cc(C(=O)N[C@@H]2CC=C(C(=O)[O-])C2)nn1	ZINC000864166157	613595615	/nfs/dbraw/zinc/59/56/15/613595615.db2.gz	LFVBWBFHARZYTQ-SNVBAGLBSA-N	-1	0	276.296	0.757	20	30		CCEDRM
C=CCN(C(=O)[C@H](CC)C(=O)[O-])[C@@H]1CCS(=O)(=O)C1	ZINC000908752469	613607016	/nfs/dbraw/zinc/60/70/16/613607016.db2.gz	WFXSVIMWASTJMS-ZJUUUORDSA-N	-1	0	289.353	0.299	20	30		CCEDRM
CC#CCS(=O)(=O)[N-]C(=O)c1ccc(C)cn1	ZINC000810770869	613647583	/nfs/dbraw/zinc/64/75/83/613647583.db2.gz	CIDNZAJCBXGKIF-UHFFFAOYSA-N	-1	0	252.295	0.473	20	30		CCEDRM
C=CCN(CC(=O)[O-])C(=O)/C=C(/C)CN1CCOCC1	ZINC000909515787	613641851	/nfs/dbraw/zinc/64/18/51/613641851.db2.gz	GLOALBVCNKBTME-XFXZXTDPSA-N	-1	0	282.340	0.364	20	30		CCEDRM
C=CCN(C/C=C(/C)C(=O)[O-])[C@@H]1CCS(=O)(=O)C1	ZINC000825682149	613641914	/nfs/dbraw/zinc/64/19/14/613641914.db2.gz	PNERCWFRRHJYKJ-NEOSZVFXSA-N	-1	0	273.354	0.692	20	30		CCEDRM
C=CCN(CC(=O)[O-])C(=O)NC[C@H](C)Cn1cccn1	ZINC000797712459	613642771	/nfs/dbraw/zinc/64/27/71/613642771.db2.gz	LMWWHSMLJKWIMI-NSHDSACASA-N	-1	0	280.328	0.801	20	30		CCEDRM
C=CCN(CC(=O)[O-])C(=O)[C@@H]1CCc2ncncc2C1	ZINC000844155213	613643331	/nfs/dbraw/zinc/64/33/31/613643331.db2.gz	NIEVUGJEXNUDDV-SNVBAGLBSA-N	-1	0	275.308	0.681	20	30		CCEDRM
C=CCN(CC(=O)[O-])C(=O)c1ccnc(OC)n1	ZINC000907632674	613643638	/nfs/dbraw/zinc/64/36/38/613643638.db2.gz	FOJOYCAALPMSCH-UHFFFAOYSA-N	-1	0	251.242	0.198	20	30		CCEDRM
C=CCN(CC(=O)[O-])C(=O)c1cnn(CCCOC)c1	ZINC000864134906	613643655	/nfs/dbraw/zinc/64/36/55/613643655.db2.gz	FMTXXTXGVXAEFU-UHFFFAOYSA-N	-1	0	281.312	0.632	20	30		CCEDRM
C=CCN(CC(=O)[O-])C(=O)c1cnc(NC)cn1	ZINC000909517058	613643713	/nfs/dbraw/zinc/64/37/13/613643713.db2.gz	YXQDHWLLXYBOPJ-UHFFFAOYSA-N	-1	0	250.258	0.231	20	30		CCEDRM
C=CCN(CC(=O)[O-])C(=O)c1cn(CC)nc1C	ZINC000864136041	613643728	/nfs/dbraw/zinc/64/37/28/613643728.db2.gz	RKFOUQPNMQIPLX-UHFFFAOYSA-N	-1	0	251.286	0.924	20	30		CCEDRM
C=CCN(CC(=O)OCC)C(=O)[C@@H]1CC[C@H]1C(=O)[O-]	ZINC000901991407	613644832	/nfs/dbraw/zinc/64/48/32/613644832.db2.gz	ZSUZSOZOQMGRPQ-NXEZZACHSA-N	-1	0	269.297	0.675	20	30		CCEDRM
C=CCN(CC(=O)OCC)C(=O)[C@@H](C)NC(=O)[O-]	ZINC000833788320	613644868	/nfs/dbraw/zinc/64/48/68/613644868.db2.gz	UZZSVYDOFOKQRY-MRVPVSSYSA-N	-1	0	258.274	0.220	20	30		CCEDRM
CC#CCN[C@@H](C(N)=O)c1ccc(-c2nn[nH]n2)cc1	ZINC000823943075	613645007	/nfs/dbraw/zinc/64/50/07/613645007.db2.gz	MLMANSLZTXODDY-LLVKDONJSA-N	-1	0	270.296	0.006	20	30		CCEDRM
CC#CCS(=O)(=O)[N-]C(=O)CCc1ccncc1	ZINC000798202677	613645831	/nfs/dbraw/zinc/64/58/31/613645831.db2.gz	JSBCTVZJSFJVEE-UHFFFAOYSA-N	-1	0	266.322	0.484	20	30		CCEDRM
CC#CCS(=O)(=O)[N-]C(=O)CNC(=O)CC(C)(C)C	ZINC000798202701	613645836	/nfs/dbraw/zinc/64/58/36/613645836.db2.gz	KOHLYRBTBXZFPC-UHFFFAOYSA-N	-1	0	288.369	0.008	20	30		CCEDRM
CC#CCS(=O)(=O)[N-]C(=O)Cc1cccc(F)c1	ZINC000810773859	613646109	/nfs/dbraw/zinc/64/61/09/613646109.db2.gz	NZZJUPDBKKFBRO-UHFFFAOYSA-N	-1	0	269.297	0.838	20	30		CCEDRM
CC#CCS(=O)(=O)[N-]C(=O)Cc1cc(F)ccc1OC	ZINC000810776572	613646135	/nfs/dbraw/zinc/64/61/35/613646135.db2.gz	YVJBQNKKXFVWOM-UHFFFAOYSA-N	-1	0	299.323	0.846	20	30		CCEDRM
CC#CCS(=O)(=O)[N-]C(=O)Cc1ccc(C)o1	ZINC000810772239	613646166	/nfs/dbraw/zinc/64/61/66/613646166.db2.gz	XHMXGAZZHFZWMD-UHFFFAOYSA-N	-1	0	255.295	0.600	20	30		CCEDRM
CC#CCS(=O)(=O)[N-]C(=O)Cc1ccc2c(c1)CCO2	ZINC000810777575	613646254	/nfs/dbraw/zinc/64/62/54/613646254.db2.gz	JLLUDYJCRLJUBS-UHFFFAOYSA-N	-1	0	293.344	0.633	20	30		CCEDRM
CC#CCS(=O)(=O)[N-]C(=O)[C@@H]1C[C@H]1OC(C)(C)C	ZINC000851000551	613646711	/nfs/dbraw/zinc/64/67/11/613646711.db2.gz	WCKQPHXZNJAXGM-NXEZZACHSA-N	-1	0	273.354	0.659	20	30		CCEDRM
CC#CCS(=O)(=O)[N-]C(=O)c1ccc(OC(C)C)cn1	ZINC000810769780	613647451	/nfs/dbraw/zinc/64/74/51/613647451.db2.gz	DYXOSQJYPCSBOY-UHFFFAOYSA-N	-1	0	296.348	0.952	20	30		CCEDRM
CC#CCS(=O)(=O)[N-]C(=O)c1cc(C)ccc1[N+](=O)[O-]	ZINC000810775443	613647541	/nfs/dbraw/zinc/64/75/41/613647541.db2.gz	GNOGWLJUGHYGQB-UHFFFAOYSA-N	-1	0	296.304	0.986	20	30		CCEDRM
CC#CCS(=O)(=O)[N-]C(=O)c1cccc(Cl)n1	ZINC000810773961	613647824	/nfs/dbraw/zinc/64/78/24/613647824.db2.gz	QNFSJBDMTSXMFA-UHFFFAOYSA-N	-1	0	272.713	0.818	20	30		CCEDRM
CC#CCS(=O)(=O)[N-]C(=O)c1ccc2[nH]c(=O)oc2c1	ZINC000810771703	613647830	/nfs/dbraw/zinc/64/78/30/613647830.db2.gz	NJKILDQDYWLYDP-UHFFFAOYSA-N	-1	0	294.288	0.616	20	30		CCEDRM
CC#CCS(=O)(=O)[N-]C(=O)c1nc(CC)oc1C	ZINC000810773454	613648030	/nfs/dbraw/zinc/64/80/30/613648030.db2.gz	FXCOZKCMSKENRS-UHFFFAOYSA-N	-1	0	270.310	0.628	20	30		CCEDRM
CC#CCS(=O)(=O)[N-]C(=O)c1conc1C1CC1	ZINC000810776009	613648065	/nfs/dbraw/zinc/64/80/65/613648065.db2.gz	DRUIJPOHSMWRIV-UHFFFAOYSA-N	-1	0	268.294	0.635	20	30		CCEDRM
CC#CC[C@H](CO)NC(=O)C(C)(C)[N-]C(=O)C(F)(F)F	ZINC000844111927	613650836	/nfs/dbraw/zinc/65/08/36/613650836.db2.gz	GMZXBBMVZJJGPF-MRVPVSSYSA-N	-1	0	294.273	0.334	20	30		CCEDRM
CC(=NNCCO)c1cccc(O[C@@H](C)C(=O)[O-])c1	ZINC000814943512	613655798	/nfs/dbraw/zinc/65/57/98/613655798.db2.gz	FOYYYKWHDLTEJE-JTQLQIEISA-N	-1	0	266.297	0.844	20	30		CCEDRM
CC(=O)C(C)(C)CCC(=O)N(CC#N)CC(=O)[O-]	ZINC000833387224	613661923	/nfs/dbraw/zinc/66/19/23/613661923.db2.gz	VUPGYTDFNFOHCS-UHFFFAOYSA-N	-1	0	254.286	0.819	20	30		CCEDRM
C=CCNC(=O)C(=O)Nc1cc(C)[nH]c1C(=O)[O-]	ZINC000833377142	613844883	/nfs/dbraw/zinc/84/48/83/613844883.db2.gz	NQLOPDQNLGKZRI-UHFFFAOYSA-N	-1	0	251.242	0.262	20	30		CCEDRM
C=CCNC(=O)C(C#N)=C([O-])c1cccc(C#N)n1	ZINC000810533124	613852937	/nfs/dbraw/zinc/85/29/37/613852937.db2.gz	YOFLHDDIKPPWBF-JTQLQIEISA-N	-1	0	254.249	0.578	20	30		CCEDRM
C=CCNc1ncc(C(=O)[N-]n2cnn(CC)c2=O)s1	ZINC000857268862	613877124	/nfs/dbraw/zinc/87/71/24/613877124.db2.gz	WPNHQGKHRPBLLL-UHFFFAOYSA-N	-1	0	294.340	0.503	20	30		CCEDRM
C=CCOCC(=O)N[C@@H](CC(=O)[O-])c1ccncc1	ZINC000911658229	613879386	/nfs/dbraw/zinc/87/93/86/613879386.db2.gz	IMEJALLDDSSJJZ-NSHDSACASA-N	-1	0	264.281	0.916	20	30		CCEDRM
C=CCOC[C@@H](NC(=O)C1(OC)CCCC1)C(=O)[O-]	ZINC000909767587	613881605	/nfs/dbraw/zinc/88/16/05/613881605.db2.gz	PUIHLVGXBFNQAW-SNVBAGLBSA-N	-1	0	271.313	0.718	20	30		CCEDRM
C=CCOC[C@@H](NC(=O)NCC1(C)CC1)C(=O)[O-]	ZINC000909063468	613881618	/nfs/dbraw/zinc/88/16/18/613881618.db2.gz	WFNBOZJYBWHARR-SECBINFHSA-N	-1	0	256.302	0.742	20	30		CCEDRM
C=CCOC[C@@H](NC(=O)N[C@H]1CC12CCC2)C(=O)[O-]	ZINC000909041671	613881636	/nfs/dbraw/zinc/88/16/36/613881636.db2.gz	SLWMEDSINKBHGB-ZJUUUORDSA-N	-1	0	268.313	0.884	20	30		CCEDRM
C=CCOC[C@@H](NC(=O)N[C@@H]1COC(C)(C)C1)C(=O)[O-]	ZINC000909202593	613881698	/nfs/dbraw/zinc/88/16/98/613881698.db2.gz	QJUYSCIEKHZROS-VHSXEESVSA-N	-1	0	286.328	0.509	20	30		CCEDRM
C=CCOC[C@H](NC(=O)/C=C(/C)COC)C(=O)[O-]	ZINC000846118914	613882222	/nfs/dbraw/zinc/88/22/22/613882222.db2.gz	DFGFLBDKYMGPSY-MBACFSSFSA-N	-1	0	257.286	0.351	20	30		CCEDRM
C=CCOC[C@H](NC(=O)C[C@@H]1CC(C)(C)CO1)C(=O)[O-]	ZINC000909765873	613882393	/nfs/dbraw/zinc/88/23/93/613882393.db2.gz	GRCNSPLDADUJTD-MNOVXSKESA-N	-1	0	285.340	0.964	20	30		CCEDRM
C=CCOC[C@H](NC(=O)[C@@H]1CCCC[C@@H]1OC)C(=O)[O-]	ZINC000909772875	613882505	/nfs/dbraw/zinc/88/25/05/613882505.db2.gz	XKSGBXPKXIGMAM-WOPDTQHZSA-N	-1	0	285.340	0.964	20	30		CCEDRM
C=CCOC[C@H](NC(=O)c1cc2n(n1)CCCC2)C(=O)[O-]	ZINC000909772538	613882641	/nfs/dbraw/zinc/88/26/41/613882641.db2.gz	RRXRXBIBPMPJMO-LBPRGKRZSA-N	-1	0	293.323	0.605	20	30		CCEDRM
C=CCOC[C@H](NC(=O)[C@](C)(C#N)CC)C(=O)[O-]	ZINC000923078376	613882651	/nfs/dbraw/zinc/88/26/51/613882651.db2.gz	GNBNREBOJUZJNT-CABZTGNLSA-N	-1	0	254.286	0.698	20	30		CCEDRM
C=CCOC[C@H](NS(=O)(=O)CCCC1CC1)C(=O)[O-]	ZINC000902985537	613882813	/nfs/dbraw/zinc/88/28/13/613882813.db2.gz	ZAPIQSSCSOEPSU-NSHDSACASA-N	-1	0	291.369	0.752	20	30		CCEDRM
C=CCO[N-]C(=O)C(=O)Nc1cnn(CC)c1C	ZINC000873908358	613883004	/nfs/dbraw/zinc/88/30/04/613883004.db2.gz	VSLKBHNURBCCQH-UHFFFAOYSA-N	-1	0	252.274	0.384	20	30		CCEDRM
C=CCO[N-]C(=O)C(=O)Nc1cncc(N(C)C)c1	ZINC000873907312	613883073	/nfs/dbraw/zinc/88/30/73/613883073.db2.gz	DIEDHZNJGAFHLY-UHFFFAOYSA-N	-1	0	264.285	0.320	20	30		CCEDRM
C=CCO[N-]C(=O)CN1C(=O)[C@@H]2CCCC[C@H]2C1=O	ZINC000837045190	613883112	/nfs/dbraw/zinc/88/31/12/613883112.db2.gz	ZUPDZCVYNJXLGB-NXEZZACHSA-N	-1	0	266.297	0.395	20	30		CCEDRM
C=CCO[N-]C(=O)[C@@H]1CS(=O)(=O)C[C@H]1C(F)(F)F	ZINC000823421056	613884424	/nfs/dbraw/zinc/88/44/24/613884424.db2.gz	KCZMHEOWPYJKPE-RNFRBKRXSA-N	-1	0	287.259	0.443	20	30		CCEDRM
C=CCO[N-]C(=O)[C@H]1CC(=O)N(C)[C@@H]1c1cccnc1	ZINC000837046385	613884566	/nfs/dbraw/zinc/88/45/66/613884566.db2.gz	HROFJSGWQRDACI-WCQYABFASA-N	-1	0	275.308	0.835	20	30		CCEDRM
C=CCO[N-]C(=O)[C@H]1CS(=O)(=O)C[C@H]1C(F)(F)F	ZINC000823421055	613884602	/nfs/dbraw/zinc/88/46/02/613884602.db2.gz	KCZMHEOWPYJKPE-NKWVEPMBSA-N	-1	0	287.259	0.443	20	30		CCEDRM
C=CCS(=O)(=O)[N-]C(=O)C1(COC)CCOCC1	ZINC000810644204	613886115	/nfs/dbraw/zinc/88/61/15/613886115.db2.gz	VEFNLYNIFWXTNF-UHFFFAOYSA-N	-1	0	277.342	0.062	20	30		CCEDRM
C=CCS(=O)(=O)[N-]C(=O)COc1cc(F)cc(F)c1	ZINC000810644232	613886169	/nfs/dbraw/zinc/88/61/69/613886169.db2.gz	WCNXOUDUKZOMOT-UHFFFAOYSA-N	-1	0	291.275	0.976	20	30		CCEDRM
C=CCS(=O)(=O)[N-]C(=O)C[C@@H](C)n1ccc(C)n1	ZINC000850913915	613886171	/nfs/dbraw/zinc/88/61/71/613886171.db2.gz	XBYIXVDTSDWWJP-SNVBAGLBSA-N	-1	0	271.342	0.775	20	30		CCEDRM
CC(C)(C)[C@H](NC(=O)C#CC1CC1)c1nc(=O)o[n-]1	ZINC000911586688	614033946	/nfs/dbraw/zinc/03/39/46/614033946.db2.gz	GHFODRCBWSVQNQ-SNVBAGLBSA-N	-1	0	263.297	0.980	20	30		CCEDRM
CC(C)OC[C@H](NS(=O)(=O)CCCC#N)C(=O)[O-]	ZINC000863419159	614035770	/nfs/dbraw/zinc/03/57/70/614035770.db2.gz	VPEQJABELVYHPQ-VIFPVBQESA-N	-1	0	278.330	0.088	20	30		CCEDRM
CC(C)C[C@H](C#N)NC(=O)C[C@@H]1CN(C(=O)[O-])CCO1	ZINC000824170878	614210126	/nfs/dbraw/zinc/21/01/26/614210126.db2.gz	UDABRHHDJJCASB-GHMZBOCLSA-N	-1	0	283.328	0.810	20	30		CCEDRM
CC(C)C[C@H](O)CNC(=O)[C@@](C)(C#N)CC(=O)[O-]	ZINC000819976753	614223147	/nfs/dbraw/zinc/22/31/47/614223147.db2.gz	AISYCQDLSRUVMD-JOYOIKCWSA-N	-1	0	256.302	0.514	20	30		CCEDRM
CC(C)Cn1[n-]c(CC(=O)N2CCOC[C@@H]2C#N)cc1=O	ZINC000933558869	614235467	/nfs/dbraw/zinc/23/54/67/614235467.db2.gz	HUYIKZLMVIJURZ-LBPRGKRZSA-N	-1	0	292.339	0.126	20	30		CCEDRM
CCC(CC)(CNC(=O)N1CCO[C@H](C#N)C1)NC(=O)[O-]	ZINC000826141987	614523934	/nfs/dbraw/zinc/52/39/34/614523934.db2.gz	PQCMXDVHBSKJQN-SNVBAGLBSA-N	-1	0	298.343	0.747	20	30		CCEDRM
CCCn1nccc1/C=C/C(=O)c1cn(CC(=O)[O-])nn1	ZINC000853008232	614545110	/nfs/dbraw/zinc/54/51/10/614545110.db2.gz	MCOJNXXIYBEKTQ-ONEGZZNKSA-N	-1	0	289.295	0.865	20	30		CCEDRM
CCC(=O)N1CC[C@H](NC(=O)[C@](C)(C#N)CC(=O)[O-])C1	ZINC000820256801	614725884	/nfs/dbraw/zinc/72/58/84/614725884.db2.gz	JPCQOVWHXHDPCN-ZANVPECISA-N	-1	0	281.312	0.118	20	30		CCEDRM
CCN(C)C(=O)COC(=O)[C@](C)(C#N)CC(=O)[O-]	ZINC000820332762	614840992	/nfs/dbraw/zinc/84/09/92/614840992.db2.gz	IUYOKSDCMAPJMW-NSHDSACASA-N	-1	0	256.258	0.012	20	30		CCEDRM
CCCNC(=O)[C@@H](C)OC(=O)[C@@](C)(C#N)CC(=O)[O-]	ZINC000820321090	614868423	/nfs/dbraw/zinc/86/84/23/614868423.db2.gz	GVAQUSRAAMSEIX-PRHODGIISA-N	-1	0	270.285	0.449	20	30		CCEDRM
CCCO[N-]C(=O)C(=O)Nc1ccc(C#N)c(C)n1	ZINC000834361262	614943147	/nfs/dbraw/zinc/94/31/47/614943147.db2.gz	GKJOHWSFLDCHJA-UHFFFAOYSA-N	-1	0	262.269	0.658	20	30		CCEDRM
CCN(CC(=O)OCc1ccnc(C#N)c1)C(=O)[O-]	ZINC000827014851	614949562	/nfs/dbraw/zinc/94/95/62/614949562.db2.gz	WKAXNJQDPSPRIY-UHFFFAOYSA-N	-1	0	263.253	0.996	20	30		CCEDRM
CCC[C@@H](C#N)NC(=O)C[C@H]1CN(C(=O)[O-])CCO1	ZINC000826706118	614970929	/nfs/dbraw/zinc/97/09/29/614970929.db2.gz	MIUNQSJFLVFBSS-UWVGGRQHSA-N	-1	0	269.301	0.564	20	30		CCEDRM
CCN(CCC#N)C(=O)CN1CCSC[C@H]1CC(=O)[O-]	ZINC000829692298	615021561	/nfs/dbraw/zinc/02/15/61/615021561.db2.gz	FNFIYWPEXPZWJL-LLVKDONJSA-N	-1	0	299.396	0.641	20	30		CCEDRM
CCN(CCC#N)C(=O)COC(=O)[C@H](C)CC(=O)[O-]	ZINC000829693114	615022983	/nfs/dbraw/zinc/02/29/83/615022983.db2.gz	VQXALXLHSXPTJH-SECBINFHSA-N	-1	0	270.285	0.403	20	30		CCEDRM
CCN(CCO)N=Cc1cc([N+](=O)[O-])ccc1[O-]	ZINC000842534095	615055156	/nfs/dbraw/zinc/05/51/56/615055156.db2.gz	GLFDJWDJCZNQTO-UHFFFAOYSA-N	-1	0	253.258	0.949	20	30		CCEDRM
CCN(C[C@@H](C)C#N)C(=O)CN1CC[C@](F)(C(=O)[O-])C1	ZINC000829642709	615061544	/nfs/dbraw/zinc/06/15/44/615061544.db2.gz	ONFDTCVESANYCR-GXFFZTMASA-N	-1	0	285.319	0.493	20	30		CCEDRM
CCOC1(C(=O)N[C@H]2CCN(O)C2=O)CCCC1	ZINC000820180104	615206682	/nfs/dbraw/zinc/20/66/82/615206682.db2.gz	VPCYFSARFBXPDU-VIFPVBQESA-N	-1	0	256.302	0.442	20	30		CCEDRM
CCOC1CC(C(=O)[N-]S(=O)(=O)CC(C)(C)C#N)C1	ZINC000805910534	615211363	/nfs/dbraw/zinc/21/13/63/615211363.db2.gz	SIODURBOPAXAGL-UHFFFAOYSA-N	-1	0	288.369	0.797	20	30		CCEDRM
CCOCCCNC(=O)C(C#N)=C([O-])c1conc1C	ZINC000860461290	615244504	/nfs/dbraw/zinc/24/45/04/615244504.db2.gz	HYMKFSAFRXYWJF-JTQLQIEISA-N	-1	0	279.296	0.848	20	30		CCEDRM
CC[C@@H](C#N)C(=O)N[C@H](c1nnn[n-]1)c1ccccc1	ZINC000846632220	615365924	/nfs/dbraw/zinc/36/59/24/615365924.db2.gz	KHQNZIIJQDGQEA-ONGXEEELSA-N	-1	0	270.296	0.955	20	30		CCEDRM
CCO[N-]C(=O)CNC(=O)c1ccc(F)c(C#N)c1	ZINC000846489901	615371552	/nfs/dbraw/zinc/37/15/52/615371552.db2.gz	FSSQYHOIZHCEOA-UHFFFAOYSA-N	-1	0	265.244	0.495	20	30		CCEDRM
CC[C@@H](C)S(=O)(=O)[N-]C(=O)CC1(C#N)CCOCC1	ZINC000850941070	615464024	/nfs/dbraw/zinc/46/40/24/615464024.db2.gz	YVOKVHQJPSUDIA-SNVBAGLBSA-N	-1	0	288.369	0.941	20	30		CCEDRM
CC[C@@H](NN=C1CCC2(CS(=O)(=O)C2)CC1)C(=O)[O-]	ZINC000901246271	615536090	/nfs/dbraw/zinc/53/60/90/615536090.db2.gz	MXTXSZWXIJGOHJ-SNVBAGLBSA-N	-1	0	288.369	0.784	20	30		CCEDRM
CC[C@@H](NN=Cc1cn(C)nc1Br)C(=O)[O-]	ZINC000863114617	615536567	/nfs/dbraw/zinc/53/65/67/615536567.db2.gz	OTJJYGYYEVOLOA-SSDOTTSWSA-N	-1	0	289.133	0.969	20	30		CCEDRM
CC[C@@H](O)CNN=Cc1ccc(O)c(C(=O)[O-])c1	ZINC000811656768	615542210	/nfs/dbraw/zinc/54/22/10/615542210.db2.gz	VTOPGDRNQPWCNS-SECBINFHSA-N	-1	0	252.270	0.785	20	30		CCEDRM
CC[C@@H]1C[C@H]1C(=O)[N-]S(=O)(=O)c1cncc(C#N)c1	ZINC000835464419	615576706	/nfs/dbraw/zinc/57/67/06/615576706.db2.gz	QLORWOZGKUVQID-MWLCHTKSSA-N	-1	0	279.321	0.804	20	30		CCEDRM
CC[C@@](C)(NC(=O)Cc1noc(C)c1C#N)C(=O)[O-]	ZINC000833638665	615589605	/nfs/dbraw/zinc/58/96/05/615589605.db2.gz	VEODDKDHPQHMOJ-GFCCVEGCSA-N	-1	0	265.269	0.767	20	30		CCEDRM
CC[C@H](C)NC(=O)[C@H](C)NC(=O)[C@@](C)(C#N)CC(=O)[O-]	ZINC000820266603	615678614	/nfs/dbraw/zinc/67/86/14/615678614.db2.gz	NFGXIQJJOZOKMU-MWODSPESSA-N	-1	0	283.328	0.410	20	30		CCEDRM
CCn1ncn([N-]C(=O)c2sccc2CC#N)c1=O	ZINC000868543516	615734763	/nfs/dbraw/zinc/73/47/63/615734763.db2.gz	OBXQWKHVHKTKHX-UHFFFAOYSA-N	-1	0	277.309	0.576	20	30		CCEDRM
CN(C(=O)C1(C#N)CCC1)[C@@H]1CCN(C(=O)[O-])C1	ZINC000827730228	615781009	/nfs/dbraw/zinc/78/10/09/615781009.db2.gz	CXOUWQBQEPDXBQ-SECBINFHSA-N	-1	0	251.286	0.891	20	30		CCEDRM
CN(C(=O)COC1CN(C(=O)[O-])C1)c1cccc(C#N)c1	ZINC000827773890	615818216	/nfs/dbraw/zinc/81/82/16/615818216.db2.gz	CWUSCKALVWRTQQ-UHFFFAOYSA-N	-1	0	289.291	0.900	20	30		CCEDRM
CN(C(=O)C[C@H]1CN(C(=O)[O-])CCO1)C1(C#N)CCC1	ZINC000827750926	615823879	/nfs/dbraw/zinc/82/38/79/615823879.db2.gz	CJLISAQJSIISOR-JTQLQIEISA-N	-1	0	281.312	0.660	20	30		CCEDRM
CC[C@H](OC(=O)CCNC(=O)C1N=CC=CC1=O)C(=O)[O-]	ZINC000833646118	615845157	/nfs/dbraw/zinc/84/51/57/615845157.db2.gz	UCVVLCJQNHFDIV-QZOQKNACSA-N	-1	0	296.279	0.309	20	30		CCEDRM
CCc1oc(C(=O)[O-])cc1S(=O)(=O)NC[C@H](C)C#N	ZINC000833682311	615871000	/nfs/dbraw/zinc/87/10/00/615871000.db2.gz	IDYXJPBLJBKKKK-SSDOTTSWSA-N	-1	0	286.309	0.978	20	30		CCEDRM
CCn1cc(C(=O)N2CCN(C(=O)[O-])C[C@H]2C#N)cn1	ZINC000827699704	615937243	/nfs/dbraw/zinc/93/72/43/615937243.db2.gz	ADARTCHGEHMOHS-SNVBAGLBSA-N	-1	0	277.284	0.231	20	30		CCEDRM
CN(C)C(=O)C1CCN(C(=O)[C@](C)(C#N)CC(=O)[O-])CC1	ZINC000820524407	615947979	/nfs/dbraw/zinc/94/79/79/615947979.db2.gz	WUGSBRVZRRRJCE-AWEZNQCLSA-N	-1	0	295.339	0.318	20	30		CCEDRM
CC[S@@](C)(=O)=NS(=O)(=O)[N-][C@H](C#N)CC(C)C	ZINC000906061061	616012283	/nfs/dbraw/zinc/01/22/83/616012283.db2.gz	NUGGSRWWGTXRIR-XXFAHNHDSA-N	-1	0	281.403	0.877	20	30		CCEDRM
CN(C)c1ccc2c(c1)N(C)C(=O)C2=NNCC(=O)[O-]	ZINC000814960143	616019931	/nfs/dbraw/zinc/01/99/31/616019931.db2.gz	HFQRFHIMFNXQOQ-UHFFFAOYSA-N	-1	0	276.296	0.107	20	30		CCEDRM
CN(CCC#N)CC(=O)NC1(C(=O)[O-])CCCCC1	ZINC000830723565	616067551	/nfs/dbraw/zinc/06/75/51/616067551.db2.gz	ZFGSSYHMLVTHDP-UHFFFAOYSA-N	-1	0	267.329	0.736	20	30		CCEDRM
CN(CCCn1ccnc1)C(=O)[C@](C)(C#N)CC(=O)[O-]	ZINC000820597548	616076532	/nfs/dbraw/zinc/07/65/32/616076532.db2.gz	WSZHKABURFRWQN-ZDUSSCGKSA-N	-1	0	278.312	0.736	20	30		CCEDRM
CN([C@H]1CCN(C(=O)[O-])C1)S(=O)(=O)CCCCC#N	ZINC000828085799	616116557	/nfs/dbraw/zinc/11/65/57/616116557.db2.gz	KHVSHCNWWFAQLJ-JTQLQIEISA-N	-1	0	289.357	0.694	20	30		CCEDRM
CN(C[C@H]1CCCOC1)C(=O)[C@](C)(C#N)CC(=O)[O-]	ZINC000820574200	616154809	/nfs/dbraw/zinc/15/48/09/616154809.db2.gz	GVRSMZBGGLEEQQ-MFKMUULPSA-N	-1	0	268.313	0.876	20	30		CCEDRM
COC(=O)c1sccc1CN(CC#N)CC(=O)[O-]	ZINC000831478640	616283344	/nfs/dbraw/zinc/28/33/44/616283344.db2.gz	BZSKYFPPVQJFII-UHFFFAOYSA-N	-1	0	268.294	0.945	20	30		CCEDRM
CN1CC[C@H](N[C@@H](C(=O)[O-])c2cccc(C#N)c2)C1=O	ZINC000830927919	616416978	/nfs/dbraw/zinc/41/69/78/616416978.db2.gz	FCZRZYDSPWBBCR-NWDGAFQWSA-N	-1	0	273.292	0.504	20	30		CCEDRM
COCCNC(=O)[C@H](C#N)C(=O)[C@@H]1CCC[C@H](C(=O)[O-])C1	ZINC000831744965	616496055	/nfs/dbraw/zinc/49/60/55/616496055.db2.gz	NPBGBBMYUMXBGD-OUAUKWLOSA-N	-1	0	296.323	0.349	20	30		CCEDRM
COCCNC(=O)C(C#N)=C([O-])c1ccc2c(c1)CCO2	ZINC000916890151	616496525	/nfs/dbraw/zinc/49/65/25/616496525.db2.gz	FPQFLAYWMMYMFV-GFCCVEGCSA-N	-1	0	288.303	0.707	20	30		CCEDRM
COCCS(=O)(=O)[N-]C(=O)CC1(C#N)CCCCC1	ZINC000850835030	616609299	/nfs/dbraw/zinc/60/92/99/616609299.db2.gz	PBEPMDOWWVSLLA-UHFFFAOYSA-N	-1	0	288.369	0.943	20	30		CCEDRM
COC(=O)Cc1c(C)[n-]n(-c2ccc(C#N)cn2)c1=O	ZINC000887295137	616704229	/nfs/dbraw/zinc/70/42/29/616704229.db2.gz	YENZOOSHDHFHTF-SNVBAGLBSA-N	-1	0	272.264	0.855	20	30		CCEDRM
COCC(COC)NN=Cc1ccc([N+](=O)[O-])c([O-])c1	ZINC000863196924	616736713	/nfs/dbraw/zinc/73/67/13/616736713.db2.gz	AJZRZCWNMGQJCN-UHFFFAOYSA-N	-1	0	283.284	0.885	20	30		CCEDRM
COC[C@H](OC)C(=O)[N-]S(=O)(=O)c1ccc(C#N)cc1	ZINC000850733011	616755127	/nfs/dbraw/zinc/75/51/27/616755127.db2.gz	HFQJAYOGFWHDGB-NSHDSACASA-N	-1	0	298.320	0.025	20	30		CCEDRM
COC[C@@H](C#N)OC(=O)c1sccc1-c1nn[nH]n1	ZINC000826148003	616774506	/nfs/dbraw/zinc/77/45/06/616774506.db2.gz	UXGLRPFFPUTNQI-ZCFIWIBFSA-N	-1	0	279.281	0.624	20	30		CCEDRM
COC[C@](C)(CC(=O)[O-])NS(=O)(=O)CCCCC#N	ZINC000831586332	616820970	/nfs/dbraw/zinc/82/09/70/616820970.db2.gz	VGPLRCDNUXRVTA-NSHDSACASA-N	-1	0	292.357	0.479	20	30		CCEDRM
COC[C@](C)(NC(=O)COc1cccc(C#N)c1)C(=O)[O-]	ZINC000831608485	616827751	/nfs/dbraw/zinc/82/77/51/616827751.db2.gz	QNDISQWOVZSUMO-AWEZNQCLSA-N	-1	0	292.291	0.543	20	30		CCEDRM
COC[C@](C)(NC(=O)c1sccc1C#N)C(=O)[O-]	ZINC000831628074	616832764	/nfs/dbraw/zinc/83/27/64/616832764.db2.gz	XBHZWIQSJQUSGF-NSHDSACASA-N	-1	0	268.294	0.839	20	30		CCEDRM
CNC(=O)C(C#N)=C([O-])c1cnc2n1[C@H](C)CCC2	ZINC000845444740	616839288	/nfs/dbraw/zinc/83/92/88/616839288.db2.gz	DXQXIGCQPHMMPJ-RKDXNWHRSA-N	-1	0	260.297	0.849	20	30		CCEDRM
COC(=O)c1cc(C)c(F)c(S(=O)(=O)NCC#N)c1	ZINC000848693953	616839382	/nfs/dbraw/zinc/83/93/82/616839382.db2.gz	WGXOTIHMNXHHRX-UHFFFAOYSA-N	-1	0	286.284	0.723	20	30		CCEDRM
COC(=O)c1cc(C=NNCC(=O)[O-])n2c1CCCC2	ZINC000857209823	616843633	/nfs/dbraw/zinc/84/36/33/616843633.db2.gz	GWTZVYBDSNHMER-UHFFFAOYSA-N	-1	0	279.296	0.619	20	30		CCEDRM
COC[C@]1(C(=O)[O-])CCCN(C(=O)C(C)(C)C#N)C1	ZINC000923080770	616854662	/nfs/dbraw/zinc/85/46/62/616854662.db2.gz	IRVGKCAQZZLFCE-ZDUSSCGKSA-N	-1	0	268.313	0.876	20	30		CCEDRM
COCCCNC(=O)C(C#N)=C([O-])c1cscn1	ZINC000103329630	616898146	/nfs/dbraw/zinc/89/81/46/616898146.db2.gz	MTQKIMNJOUHTMO-QMMMGPOBSA-N	-1	0	267.310	0.618	20	30		CCEDRM
COCCCNC(=O)C(C#N)=C([O-])c1cccc(C#N)n1	ZINC000810528725	616898614	/nfs/dbraw/zinc/89/86/14/616898614.db2.gz	XEHRIEWICFRBTM-NSHDSACASA-N	-1	0	286.291	0.428	20	30		CCEDRM
CO[C@@](C)(C(=O)[N-]S(=O)(=O)CC1(C#N)CC1)C1CC1	ZINC000813084005	616899166	/nfs/dbraw/zinc/89/91/66/616899166.db2.gz	FCWLKPLDSAIALY-LLVKDONJSA-N	-1	0	286.353	0.551	20	30		CCEDRM
COCc1nc(C(=O)[N-]S(=O)(=O)CCC#N)cs1	ZINC000821582433	616927857	/nfs/dbraw/zinc/92/78/57/616927857.db2.gz	NFVHZYIVLHJTST-UHFFFAOYSA-N	-1	0	289.338	0.263	20	30		CCEDRM
CNC(=S)N(C)N=Cc1cc(C(=O)[O-])c(C)[nH]1	ZINC000841646295	616928043	/nfs/dbraw/zinc/92/80/43/616928043.db2.gz	NWPPAYVCMPTSSN-UHFFFAOYSA-N	-1	0	254.315	0.791	20	30		CCEDRM
COC(=O)c1ccoc1CN1CCN(C(=O)[O-])C[C@@H]1C#N	ZINC000828804825	616950835	/nfs/dbraw/zinc/95/08/35/616950835.db2.gz	RTICKVBSVVGYJX-VIFPVBQESA-N	-1	0	293.279	0.754	20	30		CCEDRM
COCc1nsc(NC(=O)[C@](C)(C#N)CC(=O)[O-])n1	ZINC000820748979	616987056	/nfs/dbraw/zinc/98/70/56/616987056.db2.gz	CRAAHRJQELIYJD-JTQLQIEISA-N	-1	0	284.297	0.628	20	30		CCEDRM
COC[C@@](C)(C#N)NC(=O)CCCCNC(=O)[O-]	ZINC000833883142	617011416	/nfs/dbraw/zinc/01/14/16/617011416.db2.gz	UNIQLJBMJWAIOG-LLVKDONJSA-N	-1	0	257.290	0.469	20	30		CCEDRM
COC[C@@](C)(NC(=O)COc1cccc(C#N)c1)C(=O)[O-]	ZINC000831608486	617020747	/nfs/dbraw/zinc/02/07/47/617020747.db2.gz	QNDISQWOVZSUMO-CQSZACIVSA-N	-1	0	292.291	0.543	20	30		CCEDRM
COC[C@H](C#N)OC(=O)[C@H](Cc1ccccc1)NC(=O)[O-]	ZINC000833882371	617047130	/nfs/dbraw/zinc/04/71/30/617047130.db2.gz	LZGYWCPPOKXVFF-RYUDHWBXSA-N	-1	0	292.291	0.947	20	30		CCEDRM
CO[C@H](CS(=O)(=O)[N-]c1ccncc1C#N)C1CC1	ZINC000903149877	617092158	/nfs/dbraw/zinc/09/21/58/617092158.db2.gz	GOFSMIWLSXMEMB-GFCCVEGCSA-N	-1	0	281.337	0.542	20	30		CCEDRM
CON=Cc1ccc(C(=O)N2CCOC[C@H]2C(=O)[O-])cc1	ZINC000823846782	617106572	/nfs/dbraw/zinc/10/65/72/617106572.db2.gz	IPCSOXUTXNBSAW-LBPRGKRZSA-N	-1	0	292.291	0.593	20	30		CCEDRM
CO[C@@H](C)CS(=O)(=O)[N-][C@H](CC#N)C(F)(F)F	ZINC000901772403	617159925	/nfs/dbraw/zinc/15/99/25/617159925.db2.gz	RVMSMAQAYGAEDY-NKWVEPMBSA-N	-1	0	274.264	0.785	20	30		CCEDRM
COc1cc(C(=O)[O-])cc(NCC(=O)NCC#N)c1OC	ZINC000831912611	617168240	/nfs/dbraw/zinc/16/82/40/617168240.db2.gz	CPIWZEBQFOWTDH-UHFFFAOYSA-N	-1	0	293.279	0.454	20	30		CCEDRM
CO[C@@H](CNC(=O)[C@@](C)(C#N)CC(=O)[O-])C(C)C	ZINC000820697103	617168689	/nfs/dbraw/zinc/16/86/89/617168689.db2.gz	RNAXUSHTUCPRSN-JOYOIKCWSA-N	-1	0	256.302	0.778	20	30		CCEDRM
C#CC[C@H](NC(=O)c1cc(C)nnc1CC)C(=O)[O-]	ZINC000229168262	623080591	/nfs/dbraw/zinc/08/05/91/623080591.db2.gz	OWIQEFLTUJVTDK-NSHDSACASA-N	-1	0	261.281	0.554	20	30		CCEDRM
C[C@H]1CO[C@H](C(=O)[N-]S(=O)(=O)c2cccc(C#N)c2)C1	ZINC000892422469	623224871	/nfs/dbraw/zinc/22/48/71/623224871.db2.gz	UYVIJJFIJAELQB-SKDRFNHKSA-N	-1	0	294.332	0.788	20	30		CCEDRM
C#CCOCCC(=O)[N-]S(=O)(=O)c1cccc(C#N)c1	ZINC000179376992	623249537	/nfs/dbraw/zinc/24/95/37/623249537.db2.gz	JOLWLVLEGKSWST-UHFFFAOYSA-N	-1	0	292.316	0.403	20	30		CCEDRM
C=CC(=O)NCCC(=O)Nc1cc(C#N)ccc1[O-]	ZINC000179729313	623348392	/nfs/dbraw/zinc/34/83/92/623348392.db2.gz	RYBRXOOYFKFAMS-UHFFFAOYSA-N	-1	0	259.265	0.895	20	30		CCEDRM
C[C@@H]1CO[C@@H](C(=O)C(C#N)=C([O-])c2nccn2C)C1	ZINC000892863829	623856880	/nfs/dbraw/zinc/85/68/80/623856880.db2.gz	OEAGKSLUVQSTPK-LPEHRKFASA-N	-1	0	261.281	0.737	20	30		CCEDRM
O=C1NC(=O)C(=N[N-]c2c(F)cccc2F)C(=O)N1	ZINC000006505359	624483896	/nfs/dbraw/zinc/48/38/96/624483896.db2.gz	WHXIUCIEQJNAGH-UHFFFAOYSA-N	-1	0	268.179	0.099	20	30		CCEDRM
CS(=O)(=O)[N-]C(=O)COCCOc1ccccc1	ZINC000048486966	624785603	/nfs/dbraw/zinc/78/56/03/624785603.db2.gz	KDRRDQRARWYDED-UHFFFAOYSA-N	-1	0	273.310	0.998	20	30		CCEDRM
C=CCN(CCOC)S(=O)(=O)c1c[nH]c(C(=O)[O-])c1	ZINC000234702276	624800818	/nfs/dbraw/zinc/80/08/18/624800818.db2.gz	LEYBFSUYTBIYBG-UHFFFAOYSA-N	-1	0	288.325	0.536	20	30		CCEDRM
C=CCN(CC(=O)[O-])C(=O)CCNC(=O)c1ccco1	ZINC000092461811	624851160	/nfs/dbraw/zinc/85/11/60/624851160.db2.gz	HDLHZANEZVLYMH-UHFFFAOYSA-N	-1	0	280.280	0.499	20	30		CCEDRM
Cn1cnc(S(=O)(=O)[N-]c2n[nH]cc2C#N)c1Cl	ZINC000160946212	624863262	/nfs/dbraw/zinc/86/32/62/624863262.db2.gz	YLAZJLVVAJBQSC-UHFFFAOYSA-N	-1	0	286.704	0.469	20	30		CCEDRM
N#Cc1ccc(F)c(CNC(=O)[C@@H]2CC[C@@H](C(=O)[O-])O2)c1	ZINC000905129918	634805208	/nfs/dbraw/zinc/80/52/08/634805208.db2.gz	ZTKMGEVJKQINLX-RYUDHWBXSA-N	-1	0	292.266	0.946	20	30		CCEDRM
C#CCO[C@@H](C)C(=O)[N-]S(=O)(=O)CC[C@H]1CCCO1	ZINC000893710604	631415022	/nfs/dbraw/zinc/41/50/22/631415022.db2.gz	URTINUSUQGWGOH-WDEREUQCSA-N	-1	0	289.353	0.040	20	30		CCEDRM
CC(=O)N(C)CC(=O)[N-]S(=O)(=O)c1cccc(C#N)c1	ZINC000048519521	631729367	/nfs/dbraw/zinc/72/93/67/631729367.db2.gz	HWXXFDXLRKFYLN-UHFFFAOYSA-N	-1	0	295.320	0.682	20	30		CCEDRM
Cc1c(C(=O)[N-]S(=O)(=O)N2CCCCC2)cnn1C	ZINC000048869914	631849334	/nfs/dbraw/zinc/84/93/34/631849334.db2.gz	XBGJMDMSYFSUDX-UHFFFAOYSA-N	-1	0	286.357	0.764	20	30		CCEDRM
CC[C@@H](CNS(=O)(=O)c1ccccc1C#N)C(=O)[O-]	ZINC000087499651	632013146	/nfs/dbraw/zinc/01/31/46/632013146.db2.gz	LMHYYTIZJFLHNV-VIFPVBQESA-N	-1	0	282.321	0.947	20	30		CCEDRM
Cc1c(C(=O)[N-]S(=O)(=O)c2cccnc2)cnn1C	ZINC000042322615	633969459	/nfs/dbraw/zinc/96/94/59/633969459.db2.gz	BJCVVTNXBJKHHJ-UHFFFAOYSA-N	-1	0	280.309	0.817	20	30		CCEDRM
C=CC1CCN(C(=O)c2cccn(CC(=O)[O-])c2=O)CC1	ZINC000901806405	634278971	/nfs/dbraw/zinc/27/89/71/634278971.db2.gz	UCYBNUNGDRTOPS-UHFFFAOYSA-N	-1	0	290.319	0.971	20	30		CCEDRM
N#Cc1ccc(CC(=O)NC2(C(=O)[O-])CCOCC2)cc1	ZINC000902091300	634311397	/nfs/dbraw/zinc/31/13/97/634311397.db2.gz	DPXIGRXNXADOES-UHFFFAOYSA-N	-1	0	288.303	0.851	20	30		CCEDRM
Cc1cc(F)c(C(=O)[O-])cc1S(=O)(=O)N1CC(C#N)C1	ZINC000906999826	635060977	/nfs/dbraw/zinc/06/09/77/635060977.db2.gz	YHTZQWNPDQYKOL-UHFFFAOYSA-N	-1	0	298.295	0.976	20	30		CCEDRM
CC(C)(C#N)CC(=O)N1CCSC[C@H]1c1nnn[n-]1	ZINC000907476249	635131299	/nfs/dbraw/zinc/13/12/99/635131299.db2.gz	CGALRJXHECDKPG-QMMMGPOBSA-N	-1	0	280.357	0.756	20	30		CCEDRM
N#C[C@@]1(C(=O)N[C@H](CC(=O)[O-])C2CC2)CCCOC1	ZINC000907583677	635159104	/nfs/dbraw/zinc/15/91/04/635159104.db2.gz	CJZNTLSWWCYYQO-MFKMUULPSA-N	-1	0	266.297	0.676	20	30		CCEDRM
C[C@@]1(C(=O)[O-])CN(C(=O)C2(C#N)CCSCC2)CCO1	ZINC000907747447	635202804	/nfs/dbraw/zinc/20/28/04/635202804.db2.gz	SJMSVFXOXHGKAL-LBPRGKRZSA-N	-1	0	298.364	0.725	20	30		CCEDRM
CSC[C@@H](NC(=O)C1(C#N)CCSCC1)C(=O)[O-]	ZINC000907780195	635206355	/nfs/dbraw/zinc/20/63/55/635206355.db2.gz	PAEJZRWRPIMFJX-MRVPVSSYSA-N	-1	0	288.394	0.956	20	30		CCEDRM
C#C[C@H](CO)N=c1nc(C)[nH]c2sc(C(=O)[O-])c(C)c21	ZINC000910375336	635752145	/nfs/dbraw/zinc/75/21/45/635752145.db2.gz	LSYKKXIKVSRQPT-MRVPVSSYSA-N	-1	0	291.332	0.834	20	30		CCEDRM
O=C([O-])C12CCC(C(=O)NCC#CCO)(CC1)C2	ZINC000911401100	636254410	/nfs/dbraw/zinc/25/44/10/636254410.db2.gz	DZEOSMWLKLTZLR-UHFFFAOYSA-N	-1	0	251.282	0.133	20	30		CCEDRM
CC#CCN(C)C(=O)CC1(C(=O)[O-])CCOCC1	ZINC000911703546	636356613	/nfs/dbraw/zinc/35/66/13/636356613.db2.gz	NXVHVIFYSHSCMH-UHFFFAOYSA-N	-1	0	253.298	0.740	20	30		CCEDRM
C[C@H](C(=O)[O-])N(C)S(=O)(=O)c1ccc(C#N)s1	ZINC000230324445	637166151	/nfs/dbraw/zinc/16/61/51/637166151.db2.gz	DHMZQHNMIJBEJW-ZCFIWIBFSA-N	-1	0	274.323	0.713	20	30		CCEDRM
C=CCN(CC(=O)[O-])C(=O)NCc1noc(C)n1	ZINC000231826351	637230327	/nfs/dbraw/zinc/23/03/27/637230327.db2.gz	OFQKTOQKDDEYAT-UHFFFAOYSA-N	-1	0	254.246	0.160	20	30		CCEDRM
C[C@H](CO)N(C)N=Cc1cc([O-])ccc1[N+](=O)[O-]	ZINC000842539676	637336996	/nfs/dbraw/zinc/33/69/96/637336996.db2.gz	CSYFUUALRJXFED-MRVPVSSYSA-N	-1	0	253.258	0.947	20	30		CCEDRM
Cc1n[nH]c(C(=O)N[C@@H]2CCCN(CC#N)C2)c1[O-]	ZINC001007123465	637539133	/nfs/dbraw/zinc/53/91/33/637539133.db2.gz	WKIAXLOVKOZQLA-SECBINFHSA-N	-1	0	263.301	0.142	20	30		CCEDRM
Cc1ccc([N+](=O)[O-])cc1NN=C1C(=O)[N-]C(=O)NC1=O	ZINC000111869467	637811879	/nfs/dbraw/zinc/81/18/79/637811879.db2.gz	FCGQEPNRGCPNSM-UHFFFAOYSA-N	-1	0	291.223	0.037	20	30		CCEDRM
N#CC(C(=O)N1CCCC1)=C([O-])c1cccc(C(N)=O)c1	ZINC000916871634	637930293	/nfs/dbraw/zinc/93/02/93/637930293.db2.gz	QCKRKWIRROJSTB-LBPRGKRZSA-N	-1	0	285.303	0.730	20	30		CCEDRM
N#Cc1c[n-]c(=O)n(C[C@H]2CC[C@@H](C3CC3)O2)c1=O	ZINC000917859216	637992194	/nfs/dbraw/zinc/99/21/94/637992194.db2.gz	PVOFTSOKUHNYES-MNOVXSKESA-N	-1	0	261.281	0.366	20	30		CCEDRM
CC[C@@H](C)S(=O)(=O)[N-]C(=O)CSCC#N	ZINC000181971241	638439397	/nfs/dbraw/zinc/43/93/97/638439397.db2.gz	CCFYZPVJIQBLKC-SSDOTTSWSA-N	-1	0	250.345	0.488	20	30		CCEDRM
C[C@H](CNS(=O)(=O)c1cccc(F)c1C#N)C(=O)[O-]	ZINC000070394004	638482601	/nfs/dbraw/zinc/48/26/01/638482601.db2.gz	LRDXEDQCVYFDTR-SSDOTTSWSA-N	-1	0	286.284	0.696	20	30		CCEDRM
C[C@@H]1CN(C(=O)C2(C#N)CC3(CC3)C2)C[C@H](C(=O)[O-])O1	ZINC000923085899	640018470	/nfs/dbraw/zinc/01/84/70/640018470.db2.gz	IGINWNXASIHDJU-NXEZZACHSA-N	-1	0	278.308	0.771	20	30		CCEDRM
N#C[C@]1(C(=O)NC[C@H]2C[C@H]2C(=O)[O-])CCCOC1	ZINC000923100167	640021952	/nfs/dbraw/zinc/02/19/52/640021952.db2.gz	BFEPZGONVPCKAZ-KBVBSXBZSA-N	-1	0	252.270	0.144	20	30		CCEDRM
Cn1cc(S(=O)(=O)[N-]C(=O)CCCCCC#N)cn1	ZINC000805844092	640436285	/nfs/dbraw/zinc/43/62/85/640436285.db2.gz	DFFNLDHPQLDXJK-UHFFFAOYSA-N	-1	0	284.341	0.699	20	30		CCEDRM
Cc1oc(C#N)cc1C(=O)[N-]S(=O)(=O)c1cc[nH]n1	ZINC000797962375	640472140	/nfs/dbraw/zinc/47/21/40/640472140.db2.gz	VFVCLXZWAYXCHN-UHFFFAOYSA-N	-1	0	280.265	0.302	20	30		CCEDRM
N#CCNC(=O)COC(=O)c1cc([S-])ccc1F	ZINC000798724148	640519506	/nfs/dbraw/zinc/51/95/06/640519506.db2.gz	GUVRLMJUCBCWOS-UHFFFAOYSA-N	-1	0	268.269	0.911	20	30		CCEDRM
C[C@H](C(=O)[N-]S(=O)(=O)C1CCCC1)n1cnc(C#N)n1	ZINC000798837352	640530759	/nfs/dbraw/zinc/53/07/59/640530759.db2.gz	AFDABWLIDWRIES-MRVPVSSYSA-N	-1	0	297.340	0.099	20	30		CCEDRM
Cc1cccc(CNC(=O)C(C#N)=C([O-])c2cnnn2C)c1	ZINC000798858784	640533019	/nfs/dbraw/zinc/53/30/19/640533019.db2.gz	RWKMUPCXJSJOIF-LBPRGKRZSA-N	-1	0	297.318	0.762	20	30		CCEDRM
N#Cc1nc(NC(=O)[C@H]2CCCC23OCCO3)[n-]c1C#N	ZINC000806433814	640783466	/nfs/dbraw/zinc/78/34/66/640783466.db2.gz	SFZSVKUUVJNEGM-MRVPVSSYSA-N	-1	0	287.279	0.635	20	30		CCEDRM
Cn1nncc1[N-]S(=O)(=O)c1cccc(CC#N)c1	ZINC000811831416	640989854	/nfs/dbraw/zinc/98/98/54/640989854.db2.gz	JTLTXHPADLJOFT-UHFFFAOYSA-N	-1	0	277.309	0.682	20	30		CCEDRM
O=c1[n-][nH]c(=O)n1N=Cc1cccc(-n2cccn2)c1	ZINC000814233183	641061931	/nfs/dbraw/zinc/06/19/31/641061931.db2.gz	FGCGPPINUYOGCI-UHFFFAOYSA-N	-1	0	270.252	0.757	20	30		CCEDRM
Cc1nnc([S-])n(N=C[C@H]2CCCOC2)c1=O	ZINC000814724251	641074705	/nfs/dbraw/zinc/07/47/05/641074705.db2.gz	KTGGGRLUTIMKTA-MRVPVSSYSA-N	-1	0	254.315	0.496	20	30		CCEDRM
O=C([O-])C1CC(N=Nc2ccc(-n3cccn3)nn2)C1	ZINC000814806830	641077595	/nfs/dbraw/zinc/07/75/95/641077595.db2.gz	SRLVMWJNOQTBMH-UHFFFAOYSA-N	-1	0	272.268	0.925	20	30		CCEDRM
Cn1ncc2c1nc(N=NC[C@@H]1CCCOC1)[n-]c2=O	ZINC000814848278	641078293	/nfs/dbraw/zinc/07/82/93/641078293.db2.gz	RMXMQGPSYMZYJX-QMMMGPOBSA-N	-1	0	276.300	0.893	20	30		CCEDRM
C[C@H]1C[C@H](C(=O)[O-])CCC1N=Nc1ccc(C(N)=O)nn1	ZINC000814870126	641079635	/nfs/dbraw/zinc/07/96/35/641079635.db2.gz	NQNFVGYMUSTHAZ-JGVFFNPUSA-N	-1	0	291.311	0.864	20	30		CCEDRM
O=C([O-])CNN=C1C(=O)Nc2cccc(Cl)c21	ZINC000814958987	641084441	/nfs/dbraw/zinc/08/44/41/641084441.db2.gz	DWOAUQSEOYFXKL-UHFFFAOYSA-N	-1	0	253.645	0.670	20	30		CCEDRM
C[C@@H](O)CNN=Cc1[nH]nc2cc(C(=O)[O-])ccc21	ZINC000814960750	641084684	/nfs/dbraw/zinc/08/46/84/641084684.db2.gz	VFXUZOMIPWBCCP-SSDOTTSWSA-N	-1	0	262.269	0.565	20	30		CCEDRM
C[C@@H](O)CNN=Cc1cccc(OCC(=O)[O-])c1	ZINC000814963065	641086053	/nfs/dbraw/zinc/08/60/53/641086053.db2.gz	BLCXXAPQQXVZOC-SECBINFHSA-N	-1	0	252.270	0.454	20	30		CCEDRM
N#CC1(CC(=O)[N-]S(=O)(=O)c2cnc3n2CCC3)CC1	ZINC000816034252	641137152	/nfs/dbraw/zinc/13/71/52/641137152.db2.gz	WGZLIWNBRDWRMW-UHFFFAOYSA-N	-1	0	294.336	0.328	20	30		CCEDRM
N#Cc1ccc(SCC(=O)Nn2c(=O)[n-][nH]c2=O)cc1	ZINC000820283168	641492840	/nfs/dbraw/zinc/49/28/40/641492840.db2.gz	UKGKRXMQHKZEIM-UHFFFAOYSA-N	-1	0	291.292	0.423	20	30		CCEDRM
O=C(N[C@H]1CCCN(O)C1=O)c1cccc(F)c1[O-]	ZINC000820544540	641515063	/nfs/dbraw/zinc/51/50/63/641515063.db2.gz	MYDCUWFJBCOJHB-VIFPVBQESA-N	-1	0	268.244	0.641	20	30		CCEDRM
N#CC1(CS(=O)(=O)[N-]C(=O)/C=C/[C@@H]2CCCO2)CCC1	ZINC000820658729	641522848	/nfs/dbraw/zinc/52/28/48/641522848.db2.gz	APVQDYXGLANYJB-ZWNMCFTASA-N	-1	0	298.364	0.861	20	30		CCEDRM
CC(C)C#CC(=O)Nc1nnc([N-]S(C)(=O)=O)s1	ZINC000823126560	641740550	/nfs/dbraw/zinc/74/05/50/641740550.db2.gz	ZEPCDYQNMHDYEV-UHFFFAOYSA-N	-1	0	288.354	0.508	20	30		CCEDRM
N#Cc1c(-c2nnn[n-]2)ncn1Cc1cccc([N+](=O)[O-])c1	ZINC000826382934	641930212	/nfs/dbraw/zinc/93/02/12/641930212.db2.gz	BLRBOWNQTJAYIN-UHFFFAOYSA-N	-1	0	296.250	0.891	20	30		CCEDRM
C=CCOc1cc(OC)ccc1C(=O)NCC(=O)[N-]OC	ZINC000832757663	642522378	/nfs/dbraw/zinc/52/23/78/642522378.db2.gz	JXCPHUMCUAQSCV-UHFFFAOYSA-N	-1	0	294.307	0.667	20	30		CCEDRM
C#CCO[C@@H](C)C(=O)[N-]S(=O)(=O)Cc1cccc(F)c1	ZINC000835296796	642656395	/nfs/dbraw/zinc/65/63/95/642656395.db2.gz	IAFKHOWVRQMILH-JTQLQIEISA-N	-1	0	299.323	0.810	20	30		CCEDRM
Cn1c(C#N)ccc1C(=O)[N-]S(=O)(=O)C[C@H]1CCCO1	ZINC000835285122	642656493	/nfs/dbraw/zinc/65/64/93/642656493.db2.gz	GNHBQRKOXOMXPP-SNVBAGLBSA-N	-1	0	297.336	0.135	20	30		CCEDRM
CC#CCS(=O)(=O)[N-]C(=O)c1cn(C)nc1C1CCC1	ZINC000842348361	642892472	/nfs/dbraw/zinc/89/24/72/642892472.db2.gz	VYHWKYUOTPZHMB-UHFFFAOYSA-N	-1	0	295.364	0.771	20	30		CCEDRM
O=C(CNS(=O)(=O)c1c(Cl)cccc1Cl)NO	ZINC000843043016	642978515	/nfs/dbraw/zinc/97/85/15/642978515.db2.gz	YZHCHEXDHHZLFL-UHFFFAOYSA-N	-1	0	299.135	0.777	20	30		CCEDRM
O=C([O-])C#CC1CCN(S(=O)(=O)c2ccoc2)CC1	ZINC000844820326	643251430	/nfs/dbraw/zinc/25/14/30/643251430.db2.gz	YTKWGXYEGGDDAI-UHFFFAOYSA-N	-1	0	283.305	0.768	20	30		CCEDRM
N#CCCCCC(=O)[N-]S(=O)(=O)CCCF	ZINC000847656036	643543369	/nfs/dbraw/zinc/54/33/69/643543369.db2.gz	YFHLWVMLFADTNQ-UHFFFAOYSA-N	-1	0	250.295	0.876	20	30		CCEDRM
C#CCCCC(=O)[N-]S(=O)(=O)Cc1cnn(C)c1	ZINC000847849338	643561207	/nfs/dbraw/zinc/56/12/07/643561207.db2.gz	YXJTUGFWHFQLFK-UHFFFAOYSA-N	-1	0	269.326	0.170	20	30		CCEDRM
C[C@@H](CC#N)C(=O)[N-]S(=O)(=O)C[C@@H]1CCCOC1	ZINC000851016901	643826463	/nfs/dbraw/zinc/82/64/63/643826463.db2.gz	JRZZJKJZCSZZFS-VHSXEESVSA-N	-1	0	274.342	0.409	20	30		CCEDRM
Cc1[nH]c(C#N)cc1C(=O)[N-]S(=O)(=O)CC(F)F	ZINC000851363710	643843836	/nfs/dbraw/zinc/84/38/36/643843836.db2.gz	SUAPYFQVNUGEBE-UHFFFAOYSA-N	-1	0	277.252	0.520	20	30		CCEDRM
C[C@@H](O)CNN=C1C(=O)Nc2cc([O-])c(Cl)cc21	ZINC000853350203	644100629	/nfs/dbraw/zinc/10/06/29/644100629.db2.gz	DOGKGKGBFAQVNA-RXMQYKEDSA-N	-1	0	269.688	0.672	20	30		CCEDRM
N#C[C@@H](CO)[N-]C(=O)C(F)(F)c1ccccc1F	ZINC000854870290	644268082	/nfs/dbraw/zinc/26/80/82/644268082.db2.gz	CXMLNUWSQACIKM-ZETCQYMHSA-N	-1	0	258.199	0.918	20	30		CCEDRM
Cc1onc(CC(=O)[N-]OCCN2CCCC2=O)c1C#N	ZINC000856042262	644384732	/nfs/dbraw/zinc/38/47/32/644384732.db2.gz	XDQZUPCMDUPAQB-UHFFFAOYSA-N	-1	0	292.295	0.067	20	30		CCEDRM
N#C[C@]1(C(=O)[N-]O[C@@H]2CCCCO2)CCCOC1	ZINC000865080095	645319740	/nfs/dbraw/zinc/31/97/40/645319740.db2.gz	JAINHEWNQKFXJP-ZYHUDNBSSA-N	-1	0	254.286	0.881	20	30		CCEDRM
COc1cnc(C([O-])=C(C#N)C(=O)NC2CC2)c(F)c1	ZINC000870143116	645964557	/nfs/dbraw/zinc/96/45/57/645964557.db2.gz	QJWWHSQRWZTRNN-SECBINFHSA-N	-1	0	277.255	0.830	20	30		CCEDRM
C[C@@H]1C[C@H](C(=O)[N-]S(=O)(=O)CC2(C#N)CC2)[C@@H](C)O1	ZINC000870281179	645977830	/nfs/dbraw/zinc/97/78/30/645977830.db2.gz	FHGQYYZWJPUTKM-BBBLOLIVSA-N	-1	0	286.353	0.550	20	30		CCEDRM
O=C([N-]C[C@@H](O)C(F)(F)C(F)(F)F)C(F)F	ZINC000882560149	647419073	/nfs/dbraw/zinc/41/90/73/647419073.db2.gz	JGFDLPGCWZLFLI-UWTATZPHSA-N	-1	0	257.105	0.926	20	30		CCEDRM
COC[C@@H](NS(=O)(=O)Cc1ccccc1C#N)C(=O)[O-]	ZINC000158597951	649307999	/nfs/dbraw/zinc/30/79/99/649307999.db2.gz	ALBRPQNZWIIJBW-LLVKDONJSA-N	-1	0	298.320	0.077	20	30		CCEDRM
C=CCN(CC(=O)[O-])C(=O)c1cc(OC)ccn1	ZINC000191264874	649471140	/nfs/dbraw/zinc/47/11/40/649471140.db2.gz	QMRRJKJIJHDJQS-UHFFFAOYSA-N	-1	0	250.254	0.803	20	30		CCEDRM
C=CCN(CC(=O)[O-])C(=O)c1n[nH]c(=O)c2ccccc21	ZINC000092462236	649723784	/nfs/dbraw/zinc/72/37/84/649723784.db2.gz	SBYOKWDKDQVNIY-UHFFFAOYSA-N	-1	0	287.275	0.636	20	30		CCEDRM
C=CCN(CC(=O)[O-])C(=O)c1ccnc(N(C)C)c1	ZINC000092463661	649724345	/nfs/dbraw/zinc/72/43/45/649724345.db2.gz	HTFYNFRWKPQFFW-UHFFFAOYSA-N	-1	0	263.297	0.860	20	30		CCEDRM
C#CC[C@H](NC(=O)[C@H]1[C@@H](C)[C@@H](C)O[C@H]1C)C(=O)[O-]	ZINC000252703334	649833742	/nfs/dbraw/zinc/83/37/42/649833742.db2.gz	VYYJAUGSZCUUIM-SSRBZLIGSA-N	-1	0	253.298	0.639	20	30		CCEDRM
COC(=O)c1cnc(OC2=C(C)O[C@H](C)C2=O)[n-]1	ZINC001230279947	805591659	/nfs/dbraw/zinc/59/16/59/805591659.db2.gz	KNPYSBNRBSFHAS-RXMQYKEDSA-N	-1	0	252.226	0.794	20	30		CCEDRM
C[C@@H](C#N)S(=O)(=O)[N-]c1nc2c(s1)CCC2	ZINC000088477110	790360800	/nfs/dbraw/zinc/36/08/00/790360800.db2.gz	BWNQQAYKFHTGMX-LURJTMIESA-N	-1	0	257.340	0.707	20	30		CCEDRM
Cc1cc(C#N)ccc1OC(=O)[C@H](O)CCC(=O)[O-]	ZINC001230682546	805646776	/nfs/dbraw/zinc/64/67/76/805646776.db2.gz	NZTIKEGFMFJMAR-SNVBAGLBSA-N	-1	0	263.249	0.998	20	30		CCEDRM
CN1C[C@H](C(=O)Nc2cc(C#N)ccc2[O-])CC1=O	ZINC000176394650	791694318	/nfs/dbraw/zinc/69/43/18/791694318.db2.gz	FYDCBQRXZRFXIF-SECBINFHSA-N	-1	0	259.265	0.681	20	30		CCEDRM
C=CCOC[C@@H](CS(=O)(=O)[O-])Oc1cnc(C#N)nc1	ZINC001233710664	806109827	/nfs/dbraw/zinc/10/98/27/806109827.db2.gz	WLUHRZHKPBYMNQ-JTQLQIEISA-N	-1	0	299.308	0.186	20	30		CCEDRM
C=C1O[C@@H](CC)C(=O)C1Oc1[nH]c(=O)nc2cn[n-]c21	ZINC001233939021	806151744	/nfs/dbraw/zinc/15/17/44/806151744.db2.gz	GJISXKLZRNHPSO-ZETCQYMHSA-N	-1	0	276.252	0.634	20	30		CCEDRM
C[C@H](O)C(=O)Oc1[n-]c(=O)nc2ccc(C#N)cc21	ZINC001234530937	806266912	/nfs/dbraw/zinc/26/69/12/806266912.db2.gz	OWMYARLGONYDPY-LURJTMIESA-N	-1	0	259.221	0.493	20	30		CCEDRM
C#C[C@@](C)(CC)[N-]S(=O)(=O)c1nn(C)cc1[N+](=O)[O-]	ZINC001211923355	814931255	/nfs/dbraw/zinc/93/12/55/814931255.db2.gz	ZRNGGHBEWBHEBJ-JTQLQIEISA-N	-1	0	286.313	0.409	20	30		CCEDRM
C=CCCO[N-]C(=O)[C@@H]1CC(c2cnn(C)c2)=NO1	ZINC001120756873	798929825	/nfs/dbraw/zinc/92/98/25/798929825.db2.gz	PECCYHSFUUJQCO-NSHDSACASA-N	-1	0	264.285	0.537	20	30		CCEDRM
Cn1c(=O)[n-]c(N2CCCC(C)(C)C2)c(C#N)c1=O	ZINC001120814969	798942179	/nfs/dbraw/zinc/94/21/79/798942179.db2.gz	LKNHTRKWKIQSGR-UHFFFAOYSA-N	-1	0	262.313	0.572	20	30		CCEDRM
C=C[C@@H](C)O[N-]C(=O)C(=O)Nc1ccnn1C1CC1	ZINC001120994472	798980167	/nfs/dbraw/zinc/98/01/67/798980167.db2.gz	HKRVTIABSJWFIU-MRVPVSSYSA-N	-1	0	264.285	0.779	20	30		CCEDRM
C=CCNC(=O)C(C#N)=C([O-])c1ccn(CCOC)n1	ZINC001122416399	799228945	/nfs/dbraw/zinc/22/89/45/799228945.db2.gz	YNZUEKGJCKCJOK-SNVBAGLBSA-N	-1	0	276.296	0.154	20	30		CCEDRM
COCc1nocc1C([O-])=C(C#N)C(=O)c1nccn1C	ZINC001122653732	799281379	/nfs/dbraw/zinc/28/13/79/799281379.db2.gz	TXEIUCBPFDRQLT-MRVPVSSYSA-N	-1	0	288.263	0.760	20	30		CCEDRM
C=CCCn1cc(C(=O)N2CC(C(=O)[O-])C2)nn1	ZINC001123294062	799385497	/nfs/dbraw/zinc/38/54/97/799385497.db2.gz	WAMAFWVHHZFBHA-UHFFFAOYSA-N	-1	0	250.258	0.011	20	30		CCEDRM
N#Cc1cnc(NCC[N-]C(=O)C(F)(F)F)c(C#N)c1	ZINC001156199029	801127546	/nfs/dbraw/zinc/12/75/46/801127546.db2.gz	BJRFKJJQURAJTH-UHFFFAOYSA-N	-1	0	283.213	0.915	20	30		CCEDRM
N#Cc1cc(F)c(Cl)nc1N[C@@H]1CO[N-]C1=O	ZINC001156685976	801209968	/nfs/dbraw/zinc/20/99/68/801209968.db2.gz	YMZKWURVRWQIDV-ZCFIWIBFSA-N	-1	0	256.624	0.588	20	30		CCEDRM
C=CCO[N-]C(=O)Cn1ncc2ccccc2c1=O	ZINC001158208852	801596289	/nfs/dbraw/zinc/59/62/89/801596289.db2.gz	TVTTXSJKMKMOFE-UHFFFAOYSA-N	-1	0	259.265	0.630	20	30		CCEDRM
CC#CCN(C)C(=O)c1ccc(-n2[nH]c(=O)[n-]c2=O)cc1	ZINC001160061004	801902358	/nfs/dbraw/zinc/90/23/58/801902358.db2.gz	YQOJPSIZVFZGAN-UHFFFAOYSA-N	-1	0	286.291	0.362	20	30		CCEDRM
C#C[C@@H](Nc1[n-]c(=O)n(C)c(=O)c1C#N)c1ccccc1	ZINC001163581419	802573229	/nfs/dbraw/zinc/57/32/29/802573229.db2.gz	CAZXWGGNCBZPEG-GFCCVEGCSA-N	-1	0	280.287	0.732	20	30		CCEDRM
N#Cc1ncc(N[C@H]2SC(=O)[N-]C2=O)cc1[N+](=O)[O-]	ZINC001163667661	802588603	/nfs/dbraw/zinc/58/86/03/802588603.db2.gz	YYNJISYFQOMCNG-QMMMGPOBSA-N	-1	0	279.237	0.582	20	30		CCEDRM
N#Cc1cnc(NCC[N-]C(=O)C(F)(F)F)nc1	ZINC001164236588	802692926	/nfs/dbraw/zinc/69/29/26/802692926.db2.gz	MLECWBJWIQDWOQ-UHFFFAOYSA-N	-1	0	259.191	0.439	20	30		CCEDRM
COc1c(C(=O)[O-])cccc1-n1nc(N)c(C#N)c1N	ZINC001211033106	803665589	/nfs/dbraw/zinc/66/55/89/803665589.db2.gz	KCNGWQHTUNONCQ-UHFFFAOYSA-N	-1	0	273.252	0.615	20	30		CCEDRM
N#Cc1cc([N-]S(=O)(=O)c2cncc(N)c2)ccc1N	ZINC001213434184	803695241	/nfs/dbraw/zinc/69/52/41/803695241.db2.gz	YGXONGMYABZXSI-UHFFFAOYSA-N	-1	0	289.320	0.918	20	30		CCEDRM
C=C(C)COCCNS(=O)(=O)[C@H]1CCC[C@@H]1C(=O)[O-]	ZINC001465107962	804094715	/nfs/dbraw/zinc/09/47/15/804094715.db2.gz	WESWQRMDLXNWLK-QWRGUYRKSA-N	-1	0	291.369	0.752	20	30		CCEDRM
C=CCC[C@H](NS(=O)(=O)c1cnn(C)c1)C(=O)[O-]	ZINC000315951647	804659299	/nfs/dbraw/zinc/65/92/99/804659299.db2.gz	VETQSVIXCPECFH-VIFPVBQESA-N	-1	0	273.314	0.118	20	30		CCEDRM
C=CCC[C@H](NC(=O)c1ccc(=O)[nH]c1)C(=O)[O-]	ZINC000316552760	804710375	/nfs/dbraw/zinc/71/03/75/804710375.db2.gz	DOWFKGSSHWHYIL-VIFPVBQESA-N	-1	0	250.254	0.936	20	30		CCEDRM
C=CCC[C@@H](NC(=O)NCCn1ccnc1C)C(=O)[O-]	ZINC000316716826	804719949	/nfs/dbraw/zinc/71/99/49/804719949.db2.gz	XNBHVQLWCGWGTA-LLVKDONJSA-N	-1	0	280.328	0.910	20	30		CCEDRM
C=CCOC[C@@H](CS(=O)(=O)[O-])OCc1nccn1C	ZINC001222936835	804940330	/nfs/dbraw/zinc/94/03/30/804940330.db2.gz	JQDVVIHBFMCRSZ-JTQLQIEISA-N	-1	0	290.341	0.396	20	30		CCEDRM
N#Cc1ccc(C(=O)N2CC[C@@H]3C[C@@]32C(N)=O)c([O-])c1	ZINC001276864711	804955026	/nfs/dbraw/zinc/95/50/26/804955026.db2.gz	HCCGOHGEXZHRNG-OTYXRUKQSA-N	-1	0	271.276	0.354	20	30		CCEDRM
N#Cc1cccc(OCCOC(=O)[C@H](O)CCC(=O)[O-])c1	ZINC001224314622	805026265	/nfs/dbraw/zinc/02/62/65/805026265.db2.gz	YKEUYJFCVARAAS-GFCCVEGCSA-N	-1	0	293.275	0.706	20	30		CCEDRM
C=CCOC[C@H](CS(=O)(=O)[O-])OCCn1cccc1	ZINC001224888917	805089799	/nfs/dbraw/zinc/08/97/99/805089799.db2.gz	SDDFQIJGJPROBH-GFCCVEGCSA-N	-1	0	289.353	0.964	20	30		CCEDRM
COc1ccc(C#N)cc1OC(=O)[C@H](O)CCC(=O)[O-]	ZINC001225683384	805150470	/nfs/dbraw/zinc/15/04/70/805150470.db2.gz	DDGPJNWYXGRGKR-SECBINFHSA-N	-1	0	279.248	0.698	20	30		CCEDRM
N#CCCCNC(=O)N1CCC[C@H](c2n[nH]c(=O)[n-]2)C1	ZINC001226132664	805196446	/nfs/dbraw/zinc/19/64/46/805196446.db2.gz	IXDFPBWJJZIYGR-VIFPVBQESA-N	-1	0	278.316	0.703	20	30		CCEDRM
COC(=O)c1cc(C#N)ccc1OC(=O)[C@@H](O)CC(=O)[O-]	ZINC001226306246	805214459	/nfs/dbraw/zinc/21/44/59/805214459.db2.gz	WFSJMAAZJMKDGS-VIFPVBQESA-N	-1	0	293.231	0.086	20	30		CCEDRM
N#Cc1ccc(F)c(OC(=O)[C@H](O)CC(=O)[O-])c1	ZINC001227057655	805314190	/nfs/dbraw/zinc/31/41/90/805314190.db2.gz	DULACLKCBSEQJO-MRVPVSSYSA-N	-1	0	253.185	0.438	20	30		CCEDRM
CCC1=C(Oc2nc(O)cc(=O)[n-]2)C(=O)[C@H](C)O1	ZINC001228387448	805442949	/nfs/dbraw/zinc/44/29/49/805442949.db2.gz	AKLFZGDLKRUWKP-YFKPBYRVSA-N	-1	0	252.226	0.876	20	30		CCEDRM
C=CCOC[C@H](CS(=O)(=O)[O-])Oc1ccc[n+]([O-])c1	ZINC001229324892	805521073	/nfs/dbraw/zinc/52/10/73/805521073.db2.gz	KPGJNSVXFXDKLZ-LLVKDONJSA-N	-1	0	289.309	0.158	20	30		CCEDRM
COc1cc(C#N)cnc1-c1cnn(CC(=O)[O-])c1	ZINC001242181675	806994357	/nfs/dbraw/zinc/99/43/57/806994357.db2.gz	HRUDPLWAGHCDJN-UHFFFAOYSA-N	-1	0	258.237	0.910	20	30		CCEDRM
CCc1ccc(C#CC(=O)N(C)c2nnn[n-]2)cc1	ZINC001168358588	815129780	/nfs/dbraw/zinc/12/97/80/815129780.db2.gz	JMRDWLJRRCQPSS-UHFFFAOYSA-N	-1	0	255.281	0.777	20	30		CCEDRM
C#CC[C@H](NC(=O)c1ccc(OC)cc1OC)C(=O)[O-]	ZINC000149777688	815139899	/nfs/dbraw/zinc/13/98/99/815139899.db2.gz	POACBFPKVGPZOU-NSHDSACASA-N	-1	0	277.276	0.910	20	30		CCEDRM
C=CCOC[C@@H](CS(=O)(=O)[O-])OCC(OC)OC	ZINC001204902581	815146915	/nfs/dbraw/zinc/14/69/15/815146915.db2.gz	OWJXQAYSHZBFMO-VIFPVBQESA-N	-1	0	284.330	0.081	20	30		CCEDRM
Cn1ccc(S(=O)(=O)[N-]c2oncc2C#N)n1	ZINC001259937661	808811936	/nfs/dbraw/zinc/81/19/36/808811936.db2.gz	IMERKSBBNBPAPQ-UHFFFAOYSA-N	-1	0	253.243	0.081	20	30		CCEDRM
C#Cc1nccnc1[N-]S(=O)(=O)c1c(C)nn(C)c1C	ZINC001260105038	808852019	/nfs/dbraw/zinc/85/20/19/808852019.db2.gz	HNBYTBBCGFWKPA-UHFFFAOYSA-N	-1	0	291.336	0.609	20	30		CCEDRM
C[C@H](C#N)NS(=O)(=O)c1cc(C(=O)[O-])ccc1F	ZINC001260219140	808857535	/nfs/dbraw/zinc/85/75/35/808857535.db2.gz	GQBISQLRIJUROV-ZCFIWIBFSA-N	-1	0	272.257	0.714	20	30		CCEDRM
N#CC1CN(S(=O)(=O)c2ccc(O)c(C(=O)[O-])c2)C1	ZINC001260393119	808860021	/nfs/dbraw/zinc/86/00/21/808860021.db2.gz	MMSNNNOSTGQILC-UHFFFAOYSA-N	-1	0	282.277	0.234	20	30		CCEDRM
CS(=O)(=O)CS(=O)(=O)[N-]C1=C(C#N)C(=O)CS1	ZINC001260584690	808864995	/nfs/dbraw/zinc/86/49/95/808864995.db2.gz	SYLRRZAJUDHWFO-UHFFFAOYSA-N	-1	0	296.351	0.069	20	30		CCEDRM
Cc1cc([N-]S(=O)(=O)CS(C)(=O)=O)cnc1C#N	ZINC001260584984	808869779	/nfs/dbraw/zinc/86/97/79/808869779.db2.gz	IINWOTHOIWNLPY-UHFFFAOYSA-N	-1	0	289.338	0.006	20	30		CCEDRM
C=CC[C@@H](NC(=O)C[C@@H](C)n1ccnc1)C(=O)[O-]	ZINC001261514893	809004935	/nfs/dbraw/zinc/00/49/35/809004935.db2.gz	QSIWGICVRXYQMM-NXEZZACHSA-N	-1	0	251.286	0.980	20	30		CCEDRM
C=C(C)CO[N-]C(=O)c1cn(C)c2c(cnn2C)c1=O	ZINC001261526413	809008309	/nfs/dbraw/zinc/00/83/09/809008309.db2.gz	INJUVRHDNUFKKV-UHFFFAOYSA-N	-1	0	276.296	0.510	20	30		CCEDRM
C=CC[C@@H](NC(=O)c1cc(=O)n(C)[n-]1)C(=O)OCC	ZINC001261737259	809068768	/nfs/dbraw/zinc/06/87/68/809068768.db2.gz	JKJROHHGGBKPMW-MRVPVSSYSA-N	-1	0	267.285	0.363	20	30		CCEDRM
C=CC[C@@H](NC(=O)[C@H](C)Cc1c[nH]cn1)C(=O)[O-]	ZINC001261843349	809106323	/nfs/dbraw/zinc/10/63/23/809106323.db2.gz	DEFSCHXATSNQKM-PSASIEDQSA-N	-1	0	251.286	0.734	20	30		CCEDRM
C=C(C)C[C@@H](CO)NC(=O)c1c[n-]n2c1nccc2=O	ZINC001262030545	809164471	/nfs/dbraw/zinc/16/44/71/809164471.db2.gz	NPSMYIAVJHJSKZ-VIFPVBQESA-N	-1	0	276.296	0.080	20	30		CCEDRM
C=CC[C@@H](NC(=O)c1cnc(NC)s1)C(=O)[O-]	ZINC001262176859	809223279	/nfs/dbraw/zinc/22/32/79/809223279.db2.gz	BGSGFBGSSOYXNN-ZCFIWIBFSA-N	-1	0	255.299	0.944	20	30		CCEDRM
C=CCOC[C@@H](CS(=O)(=O)[O-])OCCOC(C)=O	ZINC001224577637	815279856	/nfs/dbraw/zinc/27/98/56/815279856.db2.gz	KDPJKXFYICJNEM-JTQLQIEISA-N	-1	0	282.314	0.025	20	30		CCEDRM
COc1nn(C)cc1C([O-])=C(C#N)C(=O)N1CCCC1	ZINC001263303505	809505735	/nfs/dbraw/zinc/50/57/35/809505735.db2.gz	ZFZGJRRKSHJIIR-VIFPVBQESA-N	-1	0	276.296	0.374	20	30		CCEDRM
Cn1cc([N-]S(=O)(=O)c2ccc(F)c(C#N)c2)nn1	ZINC000702002656	809863055	/nfs/dbraw/zinc/86/30/55/809863055.db2.gz	ZZUQSSDPVAIQAD-UHFFFAOYSA-N	-1	0	281.272	0.627	20	30		CCEDRM
C#CC[C@H](NC(=O)COc1cccc(C)c1)C(=O)[O-]	ZINC000149799367	811484919	/nfs/dbraw/zinc/48/49/19/811484919.db2.gz	TZKXVZUUKGWLEE-LBPRGKRZSA-N	-1	0	261.277	0.967	20	30		CCEDRM
C=CCOC[C@H](CS(=O)(=O)[O-])OCc1cocn1	ZINC001223136417	812105417	/nfs/dbraw/zinc/10/54/17/812105417.db2.gz	VOUSKZXRCAKBBF-SNVBAGLBSA-N	-1	0	277.298	0.650	20	30		CCEDRM
C=CCOCC(COCC=C)Oc1nncc(=O)[n-]1	ZINC001226168485	813905729	/nfs/dbraw/zinc/90/57/29/813905729.db2.gz	WGGBBTDQNYSOLT-UHFFFAOYSA-N	-1	0	267.285	0.730	20	30		CCEDRM
C#C[C@H](Oc1[n-]c(=O)nc2cc[nH]c21)C(=O)OCC	ZINC001227810083	814533393	/nfs/dbraw/zinc/53/33/93/814533393.db2.gz	SMNKHXPFCURAGE-QMMMGPOBSA-N	-1	0	261.237	0.607	20	30		CCEDRM
CN(CCN(C)C(=O)C#CC(C)(C)C)Cc1n[nH]c(=O)[n-]1	ZINC001272013630	814717661	/nfs/dbraw/zinc/71/76/61/814717661.db2.gz	OHZXACSGGQCGEI-UHFFFAOYSA-N	-1	0	293.371	0.450	20	30		CCEDRM
C#CCN1CC[C@H](NC(=O)c2[nH]nc(C)c2[O-])[C@H]1C	ZINC001088525729	814852494	/nfs/dbraw/zinc/85/24/94/814852494.db2.gz	LBYKPPVJDUFJEO-ZJUUUORDSA-N	-1	0	262.313	0.250	20	30		CCEDRM
C=CCN1CC[C@]2(CCCN2C(=O)c2cc(=O)[nH][n-]2)C1=O	ZINC001272282409	816251085	/nfs/dbraw/zinc/25/10/85/816251085.db2.gz	CXJGVCJUPQJKIQ-CQSZACIVSA-N	-1	0	290.323	0.508	20	30		CCEDRM
N#Cc1ccc([O-])c(NC(=O)CCn2cncn2)c1	ZINC000176394495	816467216	/nfs/dbraw/zinc/46/72/16/816467216.db2.gz	MIPZYYDBAMABIF-UHFFFAOYSA-N	-1	0	257.253	0.884	20	30		CCEDRM
CCS(=O)(=O)CC(=O)Nc1cc(C#N)ccc1[O-]	ZINC000176403908	816470434	/nfs/dbraw/zinc/47/04/34/816470434.db2.gz	GEBVYIXINVKWRF-UHFFFAOYSA-N	-1	0	268.294	0.637	20	30		CCEDRM
C#CCN1CC[C@@H](N(C)C(=O)c2n[nH]c(C)c2[O-])C1	ZINC001033010063	818422999	/nfs/dbraw/zinc/42/29/99/818422999.db2.gz	QBWBYZLMDVMEGH-SNVBAGLBSA-N	-1	0	262.313	0.203	20	30		CCEDRM
Cc1n[nH]c(C(=O)N[C@H]2CC[C@H](NCC#N)CC2)c1[O-]	ZINC001034626395	819266863	/nfs/dbraw/zinc/26/68/63/819266863.db2.gz	NFRCFBVLBFYENR-MGCOHNPYSA-N	-1	0	277.328	0.578	20	30		CCEDRM
N#Cc1cncc(S(=O)(=O)N[C@@H]2CC=C(C(=O)[O-])C2)c1	ZINC000694945539	819892881	/nfs/dbraw/zinc/89/28/81/819892881.db2.gz	ZGOYKZMBXWYDPK-SNVBAGLBSA-N	-1	0	293.304	0.405	20	30		CCEDRM
C=CC[C@H](NC(=O)[C@H]1CCc2ncncc2C1)C(=O)[O-]	ZINC001118219304	820110031	/nfs/dbraw/zinc/11/00/31/820110031.db2.gz	VOLRAEQEYSUDDK-CABZTGNLSA-N	-1	0	275.308	0.727	20	30		CCEDRM
C#CC[C@H](NC(=O)[C@@H](NC(C)=O)C1CCCC1)C(=O)[O-]	ZINC000820352954	821440899	/nfs/dbraw/zinc/44/08/99/821440899.db2.gz	UEGMHIZVNJRQKA-RYUDHWBXSA-N	-1	0	280.324	0.274	20	30		CCEDRM
C#CC[C@H](NC(=O)[C@H]1CCCN1C(=O)CCC)C(=O)[O-]	ZINC000822751939	821493207	/nfs/dbraw/zinc/49/32/07/821493207.db2.gz	USQJQHCXRQCUTG-WDEREUQCSA-N	-1	0	280.324	0.370	20	30		CCEDRM
N#Cc1ccc(CNC(=O)c2n[nH]c(=O)[n-]2)cc1F	ZINC001183695549	844072037	/nfs/dbraw/zinc/07/20/37/844072037.db2.gz	XJEJJEVZNALVJD-UHFFFAOYSA-N	-1	0	261.216	0.451	20	30		CCEDRM
COC(=O)n1ncc(C#N)c1[N-]c1c(F)ccc[n+]1[O-]	ZINC001169962458	836489764	/nfs/dbraw/zinc/48/97/64/836489764.db2.gz	NXBCJIQHVRRFJE-UHFFFAOYSA-N	-1	0	277.215	0.885	20	30		CCEDRM
CCC(CO)(CO)NC(=O)CCC(=O)C1=CC=C[CH]1	ZINC001184244622	844187620	/nfs/dbraw/zinc/18/76/20/844187620.db2.gz	SKLCQNBORKKHQV-UHFFFAOYSA-N	-1	0	266.317	0.286	20	30		CCEDRM
Nc1nc(=O)c(F)cn1C(=O)CCC(=O)C1=CC=C[CH]1	ZINC001184244628	844187755	/nfs/dbraw/zinc/18/77/55/844187755.db2.gz	SMFCTTVQHMNDQD-UHFFFAOYSA-N	-1	0	276.247	0.897	20	30		CCEDRM
COCCOC1CN(C(=O)CCC(=O)C2=CC=C[CH]2)C1	ZINC001184244599	844187917	/nfs/dbraw/zinc/18/79/17/844187917.db2.gz	DRUXNFWURILXCY-UHFFFAOYSA-N	-1	0	278.328	0.910	20	30		CCEDRM
C[C@@H](NC(=O)c1cn[nH]n1)[C@H](C)Nc1nccnc1C#N	ZINC001113356273	837097118	/nfs/dbraw/zinc/09/71/18/837097118.db2.gz	DMXZZFLLKKITKQ-JGVFFNPUSA-N	-1	0	286.299	0.085	20	30		CCEDRM
CCOC(=O)[C@H](C#N)Nc1cnc(C(=O)[O-])c(C)c1	ZINC001170370573	837316049	/nfs/dbraw/zinc/31/60/49/837316049.db2.gz	GJBZKISAIWEUTR-VIFPVBQESA-N	-1	0	263.253	0.955	20	30		CCEDRM
Cn1cnc(C#N)c1[N-]S(=O)(=O)c1cnc(Cl)nc1	ZINC001185004860	844321801	/nfs/dbraw/zinc/32/18/01/844321801.db2.gz	VYRHUBMMUHQSMI-UHFFFAOYSA-N	-1	0	298.715	0.536	20	30		CCEDRM
COCCN(CC#N)Cc1cc(=O)n2[n-]cc(C#N)c2n1	ZINC001170881511	839503564	/nfs/dbraw/zinc/50/35/64/839503564.db2.gz	JYTIRDYQZSIWSJ-UHFFFAOYSA-N	-1	0	286.295	0.279	20	30		CCEDRM
C=C(CO)C(=O)Nc1cccc(-c2nc(=O)o[n-]2)c1	ZINC001136558862	839657669	/nfs/dbraw/zinc/65/76/69/839657669.db2.gz	FYMILWUXSCRGHI-UHFFFAOYSA-N	-1	0	261.237	0.517	20	30		CCEDRM
Cc1ccc(C(=O)[O-])cc1S(=O)(=O)NCCS	ZINC001185919518	844476392	/nfs/dbraw/zinc/47/63/92/844476392.db2.gz	AXLMMXBVMYZCLV-UHFFFAOYSA-N	-1	0	275.351	0.901	20	30		CCEDRM
N#Cc1nc(NC(=O)C2(F)CCOCC2)[n-]c1C#N	ZINC001143814997	839882600	/nfs/dbraw/zinc/88/26/00/839882600.db2.gz	KQEYVXHOYFEZKV-UHFFFAOYSA-N	-1	0	263.232	0.610	20	30		CCEDRM
C=C(C(=O)N[C@@H](CCC(=O)[O-])C(=O)OC)C(F)(F)F	ZINC001144213630	839976995	/nfs/dbraw/zinc/97/69/95/839976995.db2.gz	XQXFMPQNBRYGHY-LURJTMIESA-N	-1	0	283.202	0.628	20	30		CCEDRM
C/C=C(/CC)C(=O)NCCn1cc(C#N)c(=O)[n-]c1=O	ZINC001148392833	840789892	/nfs/dbraw/zinc/78/98/92/840789892.db2.gz	KMFRJSXWVLCFJZ-OQFOIZHKSA-N	-1	0	276.296	0.293	20	30		CCEDRM
Cc1c(C)n(-c2cnn(CC(=O)[O-])c2)c(N)c1C#N	ZINC001176265275	842346749	/nfs/dbraw/zinc/34/67/49/842346749.db2.gz	GSHHMHXQVGKKIE-UHFFFAOYSA-N	-1	0	259.269	0.829	20	30		CCEDRM
COc1ncnc(Nc2cnn(CC(=O)[O-])c2)c1C#N	ZINC001176269012	842349386	/nfs/dbraw/zinc/34/93/86/842349386.db2.gz	GACXTBAIYZUXSB-UHFFFAOYSA-N	-1	0	274.240	0.382	20	30		CCEDRM
O=C(C#Cc1ccccn1)NCCCC[P@](=O)([O-])O	ZINC001177806012	842683087	/nfs/dbraw/zinc/68/30/87/842683087.db2.gz	QRCZBPBKZSKJFM-UHFFFAOYSA-N	-1	0	282.236	0.507	20	30		CCEDRM
C[C@@H](C(=O)NCc1n[nH]c(=O)[n-]1)c1ccc(C#N)cc1	ZINC001182798089	843915556	/nfs/dbraw/zinc/91/55/56/843915556.db2.gz	IDMNZWHEHSNWMW-MRVPVSSYSA-N	-1	0	271.280	0.802	20	30		CCEDRM
C#Cc1cnc([N-]S(=O)(=O)C2CCC2)c(C#C)n1	ZINC001188104589	844830987	/nfs/dbraw/zinc/83/09/87/844830987.db2.gz	HWWMQBWIRQGQKM-UHFFFAOYSA-N	-1	0	261.306	0.733	20	30		CCEDRM
COC(=O)n1ncc(C#N)c1[N-]S(=O)(=O)C1CCC1	ZINC001188154413	844834888	/nfs/dbraw/zinc/83/48/88/844834888.db2.gz	AOLGZNIESZQJRT-UHFFFAOYSA-N	-1	0	284.297	0.663	20	30		CCEDRM
C=C[C@H]1C[C@@]1(NS(=O)(=O)C1CCC1)C(=O)OCC	ZINC001188160828	844849697	/nfs/dbraw/zinc/84/96/97/844849697.db2.gz	NABVXOKBFNPARF-CABZTGNLSA-N	-1	0	273.354	0.966	20	30		CCEDRM
C=C[C@@H]1C[C@]1(NS(=O)(=O)c1ncc[n-]1)C(=O)OCC	ZINC001190748582	845490532	/nfs/dbraw/zinc/49/05/32/845490532.db2.gz	DKRVFPXQZAJNBQ-LDYMZIIASA-N	-1	0	285.325	0.196	20	30		CCEDRM
C=CCC1(S(=O)(=O)[N-]c2cnn(C)c2C(N)=O)CC1	ZINC001190765679	845491682	/nfs/dbraw/zinc/49/16/82/845491682.db2.gz	BTHITFFREIYWBF-UHFFFAOYSA-N	-1	0	284.341	0.369	20	30		CCEDRM
C#Cc1ccccc1C(=O)N(O)C(=N)c1nonc1N	ZINC001191100791	845579007	/nfs/dbraw/zinc/57/90/07/845579007.db2.gz	KJACVSVKZJNDDH-UHFFFAOYSA-N	-1	0	271.236	0.490	20	30		CCEDRM
Cn1[n-]nnc1=NC(=O)c1ccc(C#CC(C)(C)O)cc1	ZINC001191157754	845598657	/nfs/dbraw/zinc/59/86/57/845598657.db2.gz	CEUKMIXCHHWHSY-UHFFFAOYSA-N	-1	0	285.307	0.007	20	30		CCEDRM
COc1cc(C#N)ccc1C(=O)NCS(=O)(=O)[O-]	ZINC001192268499	845810668	/nfs/dbraw/zinc/81/06/68/845810668.db2.gz	OOKVPNJBOHVWJU-UHFFFAOYSA-N	-1	0	270.266	0.142	20	30		CCEDRM
N#C[C@@H]1CNCCN1C(=O)c1c(F)ccc(F)c1[O-]	ZINC001192693537	845893472	/nfs/dbraw/zinc/89/34/72/845893472.db2.gz	KRWVHUOCDHEERT-SSDOTTSWSA-N	-1	0	267.235	0.608	20	30		CCEDRM
N#CCS(=O)(=O)[N-]c1cncc(OC(F)F)c1	ZINC001192950871	845932917	/nfs/dbraw/zinc/93/29/17/845932917.db2.gz	DGDFKQMBBKNTGE-UHFFFAOYSA-N	-1	0	263.225	0.948	20	30		CCEDRM
N#CCS(=O)(=O)[N-]c1c(C#N)cnn1-c1ccccn1	ZINC001192939358	845943429	/nfs/dbraw/zinc/94/34/29/845943429.db2.gz	NPIBKUSVEWPPAY-UHFFFAOYSA-N	-1	0	288.292	0.404	20	30		CCEDRM
Cn1cnc2cccc([N-]S(=O)(=O)CC#N)c21	ZINC001192982836	845945125	/nfs/dbraw/zinc/94/51/25/845945125.db2.gz	ZZSDWJMBEUQJQE-UHFFFAOYSA-N	-1	0	250.283	0.839	20	30		CCEDRM
COC(=O)[C@@H]([N-]S(=O)(=O)CC#N)c1ccccc1OC	ZINC001193005245	845954178	/nfs/dbraw/zinc/95/41/78/845954178.db2.gz	PKFXGNCHZPFKCD-NSHDSACASA-N	-1	0	298.320	0.352	20	30		CCEDRM
CCOC(=O)C(C)(C)S(=O)(=O)[N-]c1nnccc1C#N	ZINC001193024565	845968650	/nfs/dbraw/zinc/96/86/50/845968650.db2.gz	LIASPFMQMNVPOJ-UHFFFAOYSA-N	-1	0	298.324	0.432	20	30		CCEDRM
CCOC(=O)C(C)(C)S(=O)(=O)[N-]c1oncc1C#N	ZINC001193016794	845968858	/nfs/dbraw/zinc/96/88/58/845968858.db2.gz	IDCNIFRMHDPSET-UHFFFAOYSA-N	-1	0	287.297	0.630	20	30		CCEDRM
CCOC(=O)c1nccnc1[N-]S(=O)(=O)[C@H](C)C#N	ZINC001193111946	845981270	/nfs/dbraw/zinc/98/12/70/845981270.db2.gz	NITAUCUVNLGWPJ-SSDOTTSWSA-N	-1	0	284.297	0.307	20	30		CCEDRM
C[C@@H](C#N)S(=O)(=O)[N-]c1cccc2c1OCC(=O)N2	ZINC001193147098	846005331	/nfs/dbraw/zinc/00/53/31/846005331.db2.gz	XLODGKUVNCSQJQ-ZETCQYMHSA-N	-1	0	281.293	0.671	20	30		CCEDRM
C[C@H](C#N)S(=O)(=O)[N-]c1cc(F)cc(C(N)=O)c1	ZINC001193150047	846006450	/nfs/dbraw/zinc/00/64/50/846006450.db2.gz	CIGRFNCWMLDPEF-ZCFIWIBFSA-N	-1	0	271.273	0.578	20	30		CCEDRM
COC(=O)c1cc(O)ccc1[N-]S(=O)(=O)[C@H](C)C#N	ZINC001193149830	846006724	/nfs/dbraw/zinc/00/67/24/846006724.db2.gz	AARFYJTVVNFYNC-SSDOTTSWSA-N	-1	0	284.293	0.833	20	30		CCEDRM
C[C@@H](C#N)S(=O)(=O)[N-]c1cccc(F)c1CO	ZINC001193149720	846006850	/nfs/dbraw/zinc/00/68/50/846006850.db2.gz	RQISTDSSGJWMDH-ZETCQYMHSA-N	-1	0	258.274	0.972	20	30		CCEDRM
C[C@H](C#N)S(=O)(=O)[N-]c1cc(O)cc(C(N)=O)c1	ZINC001193160502	846010103	/nfs/dbraw/zinc/01/01/03/846010103.db2.gz	DNHTUGWWDVLRNR-ZCFIWIBFSA-N	-1	0	269.282	0.145	20	30		CCEDRM
COc1cc([N-]S(=O)(=O)[C@@H](C)C#N)cc(C(N)=O)c1	ZINC001193161663	846010480	/nfs/dbraw/zinc/01/04/80/846010480.db2.gz	SLEXETNTJPPHAZ-ZETCQYMHSA-N	-1	0	283.309	0.448	20	30		CCEDRM
N#Cc1ccnc([N-]S(=O)(=O)C[C@H]2CCCO2)c1	ZINC001193196340	846014292	/nfs/dbraw/zinc/01/42/92/846014292.db2.gz	KLPPCMZQBDGMNG-SNVBAGLBSA-N	-1	0	267.310	0.874	20	30		CCEDRM
N#Cc1cccnc1[N-]S(=O)(=O)C[C@H]1CCCO1	ZINC001193199560	846016976	/nfs/dbraw/zinc/01/69/76/846016976.db2.gz	QWVZSMBZVKKJKN-SNVBAGLBSA-N	-1	0	267.310	0.874	20	30		CCEDRM
N#Cc1cc(C(=O)N2CC[C@H](CO)[C@@H](O)C2)ccc1[O-]	ZINC001193506403	846101024	/nfs/dbraw/zinc/10/10/24/846101024.db2.gz	MGQSHCFVPFRYTH-MFKMUULPSA-N	-1	0	276.292	0.079	20	30		CCEDRM
N#Cc1cc(C(=O)N2CCNC[C@H]2C#N)ccc1[O-]	ZINC001193506864	846101686	/nfs/dbraw/zinc/10/16/86/846101686.db2.gz	RFLUNXDTYWIJHI-LLVKDONJSA-N	-1	0	256.265	0.201	20	30		CCEDRM
C#Cc1cc(=NC(=O)c2nccc(OC)c2[O-])cc[nH]1	ZINC001193521354	846104448	/nfs/dbraw/zinc/10/44/48/846104448.db2.gz	XBMCXUMVAMVJPN-UHFFFAOYSA-N	-1	0	269.260	0.846	20	30		CCEDRM
COC(=O)N1CCN(C(=O)c2cccc(C#N)c2[O-])CC1	ZINC001193635374	846131474	/nfs/dbraw/zinc/13/14/74/846131474.db2.gz	SUPRSCKJTNVKCG-UHFFFAOYSA-N	-1	0	289.291	0.788	20	30		CCEDRM
N#Cc1cccc(C(=O)NCCn2ccnn2)c1[O-]	ZINC001193634813	846131530	/nfs/dbraw/zinc/13/15/30/846131530.db2.gz	JUYOUKBZIAHDOH-UHFFFAOYSA-N	-1	0	257.253	0.285	20	30		CCEDRM
C[C@@]1(CO)CN(C(=O)c2cccc(C#N)c2[O-])CC[C@@H]1O	ZINC001193642949	846134956	/nfs/dbraw/zinc/13/49/56/846134956.db2.gz	UEJTYFXXLYMOFA-WFASDCNBSA-N	-1	0	290.319	0.469	20	30		CCEDRM
CN1CCC[C@H](NC(=O)c2cccc(C#N)c2[O-])C1=O	ZINC001193658947	846140013	/nfs/dbraw/zinc/14/00/13/846140013.db2.gz	HOJHFQMFZTXDKA-NSHDSACASA-N	-1	0	273.292	0.614	20	30		CCEDRM
N#Cc1cnoc1[N-]S(=O)(=O)c1ccccc1N	ZINC001193895742	846178763	/nfs/dbraw/zinc/17/87/63/846178763.db2.gz	ISKMCFLUBNGMNI-UHFFFAOYSA-N	-1	0	264.266	0.929	20	30		CCEDRM
N#Cc1cncc(C(=O)NC2C(=O)N=CN=C2[O-])c1	ZINC001194102640	846221377	/nfs/dbraw/zinc/22/13/77/846221377.db2.gz	KAAQLBUCNGEAEH-UHFFFAOYSA-N	-1	0	257.209	0.407	20	30		CCEDRM
CC(C)[C@](C)(NC(=O)c1ccc(C#N)cc1[O-])C(N)=O	ZINC001195763688	846611459	/nfs/dbraw/zinc/61/14/59/846611459.db2.gz	AZUYRAAOQBUMGQ-AWEZNQCLSA-N	-1	0	275.308	0.894	20	30		CCEDRM
N#Cc1ccc(C(=O)NC2(CO)CCOCC2)c([O-])c1	ZINC001195763833	846612289	/nfs/dbraw/zinc/61/22/89/846612289.db2.gz	DANYCAZRVGMWKD-UHFFFAOYSA-N	-1	0	276.292	0.535	20	30		CCEDRM
CC(=O)NC[C@@H](C)CNC(=O)c1ccc(C#N)cc1[O-]	ZINC001195767856	846614744	/nfs/dbraw/zinc/61/47/44/846614744.db2.gz	AYSWAZXXIBEBJO-SECBINFHSA-N	-1	0	275.308	0.766	20	30		CCEDRM
Cc1cc(N(C(=N)N)C(=O)c2ccc(C#N)cc2[O-])n[nH]1	ZINC001195768594	846616134	/nfs/dbraw/zinc/61/61/34/846616134.db2.gz	NNQQOPGLPRBGMG-UHFFFAOYSA-N	-1	0	284.279	0.836	20	30		CCEDRM
C#Cc1cnc([N-]S(=O)(=O)c2ccc(O)cc2)c(C#C)n1	ZINC001195767685	846616253	/nfs/dbraw/zinc/61/62/53/846616253.db2.gz	SEWLVJNBNMIKMR-UHFFFAOYSA-N	-1	0	299.311	0.946	20	30		CCEDRM
C[C@]1(CO)CN(C(=O)c2ccc(C#N)cc2[O-])CC[C@H]1O	ZINC001195741116	846618769	/nfs/dbraw/zinc/61/87/69/846618769.db2.gz	OIVVCRLSYQQHJA-UKRRQHHQSA-N	-1	0	290.319	0.469	20	30		CCEDRM
COC(CN(C)C(=O)c1ccc(C#N)cc1[O-])OC	ZINC001195740622	846619089	/nfs/dbraw/zinc/61/90/89/846619089.db2.gz	BKVPDWPMRHWHAZ-UHFFFAOYSA-N	-1	0	264.281	0.955	20	30		CCEDRM
N#Cc1ccccc1NC(=S)NCS(=O)(=O)[O-]	ZINC001196337747	846725399	/nfs/dbraw/zinc/72/53/99/846725399.db2.gz	FVKPVBZLKIGDOM-UHFFFAOYSA-N	-1	0	271.323	0.690	20	30		CCEDRM
COC(=O)CCCCS(=O)(=O)[N-]c1oncc1C#N	ZINC001196922723	846815114	/nfs/dbraw/zinc/81/51/14/846815114.db2.gz	PIZAJBXSRMNZEF-UHFFFAOYSA-N	-1	0	287.297	0.631	20	30		CCEDRM
C[C@@H](C#N)N(C)S(=O)(=O)c1ccccc1C(=O)[O-]	ZINC001198766890	847164484	/nfs/dbraw/zinc/16/44/84/847164484.db2.gz	AUHLTOHMZCQAIR-QMMMGPOBSA-N	-1	0	268.294	0.917	20	30		CCEDRM
N#Cc1cc(F)cc(S(=O)(=O)N2CC[C@H](C(=O)[O-])C2)c1	ZINC000718637984	849271057	/nfs/dbraw/zinc/27/10/57/849271057.db2.gz	ROFXAFSNNODMMD-VIFPVBQESA-N	-1	0	298.295	0.793	20	30		CCEDRM
C=CCN(CC(=O)[O-])C(=O)NC[C@]1(OC)CCSC1	ZINC000719323454	849308255	/nfs/dbraw/zinc/30/82/55/849308255.db2.gz	HAPXARMUHNHABB-GFCCVEGCSA-N	-1	0	288.369	0.791	20	30		CCEDRM
CC[C@H]1CN(C(=O)c2n[nH]c(C)c2[O-])CC[C@@H]1NCC#N	ZINC001037819695	849591572	/nfs/dbraw/zinc/59/15/72/849591572.db2.gz	OYPPQFYEPJKZAE-QWRGUYRKSA-N	-1	0	291.355	0.778	20	30		CCEDRM
CC[C@@H]1CN(C(=O)c2n[nH]c(C)c2[O-])CC[C@H]1NCC#N	ZINC001037819693	849592033	/nfs/dbraw/zinc/59/20/33/849592033.db2.gz	OYPPQFYEPJKZAE-GHMZBOCLSA-N	-1	0	291.355	0.778	20	30		CCEDRM
Cc1[nH]nc(C(=O)N2CC[C@@H](NCC#N)C[C@H]2C)c1[O-]	ZINC001044555567	851123053	/nfs/dbraw/zinc/12/30/53/851123053.db2.gz	UAMFDTLTUYEPBF-PSASIEDQSA-N	-1	0	277.328	0.530	20	30		CCEDRM
Cn1c(=O)[n-]c(S[C@H]2CCCOC2)c(C#N)c1=O	ZINC001262689771	852539673	/nfs/dbraw/zinc/53/96/73/852539673.db2.gz	JPNQKFDPZPXHQT-ZETCQYMHSA-N	-1	0	267.310	0.216	20	30		CCEDRM
C=CCN1CC2(C1)C[C@@H](NC(=O)c1[nH]nc(C)c1[O-])CO2	ZINC001053779096	852818666	/nfs/dbraw/zinc/81/86/66/852818666.db2.gz	MZXCHBBETRRYQR-SNVBAGLBSA-N	-1	0	292.339	0.183	20	30		CCEDRM
N#Cc1ccc(NCC2CC(NC(=O)c3cn[nH]n3)C2)nn1	ZINC001067900864	853864711	/nfs/dbraw/zinc/86/47/11/853864711.db2.gz	GPLCXKYIVFOHEG-UHFFFAOYSA-N	-1	0	298.310	0.087	20	30		CCEDRM
C#CC[C@H](NC(=O)[C@H]1COc2ccccc2O1)C(=O)[O-]	ZINC000149933503	854008831	/nfs/dbraw/zinc/00/88/31/854008831.db2.gz	ABRJJMQZGGFYMC-JOYOIKCWSA-N	-1	0	275.260	0.419	20	30		CCEDRM
C=CCC[C@H](NS(=O)(=O)[C@@H](C)COC)C(=O)[O-]	ZINC000399668571	854520999	/nfs/dbraw/zinc/52/09/99/854520999.db2.gz	QWJJXQGQHAKCDC-IUCAKERBSA-N	-1	0	265.331	0.360	20	30		CCEDRM
Cc1[n-]n(CCN2CCOCC2)c(=O)c1CCC#N	ZINC001115860710	855699860	/nfs/dbraw/zinc/69/98/60/855699860.db2.gz	ALSSNDYSBJOVOA-GFCCVEGCSA-N	-1	0	264.329	0.457	20	30		CCEDRM
C=CC[C@H](NCc1cc(C(=O)[O-])nn1C)C(=O)OCC	ZINC001119035961	856535650	/nfs/dbraw/zinc/53/56/50/856535650.db2.gz	FOEWJPTVWOBROW-JTQLQIEISA-N	-1	0	281.312	0.716	20	30		CCEDRM
C=CCOC[C@@H](NC(=O)CCc1ccn(C)n1)C(=O)[O-]	ZINC001119645355	856806280	/nfs/dbraw/zinc/80/62/80/856806280.db2.gz	UGCVHRNNUOQHSN-LLVKDONJSA-N	-1	0	281.312	0.125	20	30		CCEDRM
CC#CCN(C)C(=O)C(=O)N1CCC[C@@](CC)(C(=O)[O-])C1	ZINC001119704472	856845701	/nfs/dbraw/zinc/84/57/01/856845701.db2.gz	GFNKNPSNJFOQED-OAHLLOKOSA-N	-1	0	294.351	0.572	20	30		CCEDRM
COC[C@](C)(C#N)NC(=O)Cc1cc(=O)n(CC(C)C)[n-]1	ZINC001119961340	856936724	/nfs/dbraw/zinc/93/67/24/856936724.db2.gz	CDOLCUAEQZGWCJ-AWEZNQCLSA-N	-1	0	294.355	0.420	20	30		CCEDRM
Cc1cccnc1C=Nn1c(=O)c(C)n[n-]c1=S	ZINC001323627756	912454039	/nfs/dbraw/zinc/45/40/39/912454039.db2.gz	ZEGIUMMIZZEQAB-UHFFFAOYSA-N	-1	0	261.310	0.821	20	30		CCEDRM
C=CC[C@@H](NC(=O)c1ccnc(OCCOC)c1)C(=O)[O-]	ZINC001325142711	913241094	/nfs/dbraw/zinc/24/10/94/913241094.db2.gz	HQWLVBUJXLVJHK-LLVKDONJSA-N	-1	0	294.307	0.866	20	30		CCEDRM
COc1ccc2nc([N-]S(=O)(=O)[C@H](C)C#N)nnc2c1	ZINC001193106583	900031426	/nfs/dbraw/zinc/03/14/26/900031426.db2.gz	SOVYPRCHBASYEP-SSDOTTSWSA-N	-1	0	293.308	0.687	20	30		CCEDRM
COc1nc(C)cnc1[N-]S(=O)(=O)[C@H](C)C#N	ZINC001193106948	900031971	/nfs/dbraw/zinc/03/19/71/900031971.db2.gz	MCQYASNUAHILEY-SSDOTTSWSA-N	-1	0	256.287	0.447	20	30		CCEDRM
CCC[C@H](NC(=O)c1cc(C#N)ccn1)c1nnn[n-]1	ZINC001411855568	901291220	/nfs/dbraw/zinc/29/12/20/901291220.db2.gz	HWEOJOJNZNWUOE-VIFPVBQESA-N	-1	0	271.284	0.738	20	30		CCEDRM
CCO[C@@H](C(=O)Nc1nc(C#N)c(C#N)[n-]1)[C@H]1CCOC1	ZINC001412292672	901625187	/nfs/dbraw/zinc/62/51/87/901625187.db2.gz	OCFTTXRJCBYBMA-GZMMTYOYSA-N	-1	0	289.295	0.533	20	30		CCEDRM
Cc1cc(C#N)c(=O)[n-]c1C(=O)N1CCC[C@@H]1[C@@H](C)O	ZINC001412353523	901656745	/nfs/dbraw/zinc/65/67/45/901656745.db2.gz	RIVRNEPFGLHZIG-MWLCHTKSSA-N	-1	0	275.308	0.953	20	30		CCEDRM
N#Cc1cn(CCNC(=O)CC2CCCC2)c(=O)[n-]c1=O	ZINC001412376279	901671563	/nfs/dbraw/zinc/67/15/63/901671563.db2.gz	VUOLLVJWNUPEPQ-UHFFFAOYSA-N	-1	0	290.323	0.517	20	30		CCEDRM
Cn1c(C#N)ccc1C(=O)N1CCC[C@@H](Cc2nnn[n-]2)C1	ZINC001412603145	901863071	/nfs/dbraw/zinc/86/30/71/901863071.db2.gz	BBSHFWBHVFIXTH-JTQLQIEISA-N	-1	0	299.338	0.505	20	30		CCEDRM
Cc1nnc(CNC(=O)c2[n-]c(=O)c(C#N)cc2C)n1C	ZINC001412751546	902037157	/nfs/dbraw/zinc/03/71/57/902037157.db2.gz	MMPDZFZGKYTQNV-UHFFFAOYSA-N	-1	0	286.295	0.334	20	30		CCEDRM
Cc1cc(C#N)c(=O)[n-]c1C(=O)N[C@H](CO)[C@@H]1CCOC1	ZINC001412792078	902128281	/nfs/dbraw/zinc/12/82/81/902128281.db2.gz	YXWVTYYUWKRQIH-MWLCHTKSSA-N	-1	0	291.307	0.095	20	30		CCEDRM
Cc1cc(C#N)c(=O)[n-]c1C(=O)N1CC[C@@H](C)[C@H]1CO	ZINC001412841819	902291646	/nfs/dbraw/zinc/29/16/46/902291646.db2.gz	SRNYILGILYKZCT-LDYMZIIASA-N	-1	0	275.308	0.810	20	30		CCEDRM
COC(=O)[C@@H](CF)[N-]S(=O)(=O)CC1(CC#N)CC1	ZINC001413348415	902895230	/nfs/dbraw/zinc/89/52/30/902895230.db2.gz	ATOVVFWHEYIXGF-MRVPVSSYSA-N	-1	0	278.305	0.111	20	30		CCEDRM
Cc1cc(=O)c([N+](=O)[O-])c(O[C@@H]2CCN(CC#N)C2)[n-]1	ZINC001231265179	903935153	/nfs/dbraw/zinc/93/51/53/903935153.db2.gz	ZSVUYIMORNMZNQ-SECBINFHSA-N	-1	0	278.268	0.981	20	30		CCEDRM
C=CCCn1cc(CN[C@@H](COCC)C(=O)[O-])nn1	ZINC001327888604	914833230	/nfs/dbraw/zinc/83/32/30/914833230.db2.gz	KZXDADCQJOUXJL-NSHDSACASA-N	-1	0	268.317	0.434	20	30		CCEDRM
CC(C)[C@H](Nc1[n-]c(=O)n(C)c(=O)c1C#N)C1CC1	ZINC001337221172	908077711	/nfs/dbraw/zinc/07/77/11/908077711.db2.gz	SIPKDTGOHHCPGL-JTQLQIEISA-N	-1	0	262.313	0.792	20	30		CCEDRM
N#Cc1c[n-]c(=O)n(Cc2ccc(F)cc2F)c1=O	ZINC001307359675	908307870	/nfs/dbraw/zinc/30/78/70/908307870.db2.gz	OAJCZLYXGUYOIC-UHFFFAOYSA-N	-1	0	263.203	0.735	20	30		CCEDRM
C[C@@H](NC(=O)CCc1nnn[n-]1)c1ccc(C#N)cc1	ZINC001417608134	921448948	/nfs/dbraw/zinc/44/89/48/921448948.db2.gz	FNODCFINAXPABX-SECBINFHSA-N	-1	0	270.296	0.881	20	30		CCEDRM
CC(=Nn1c(=O)c(C)n[n-]c1=S)c1nccn1C	ZINC001319490860	910177636	/nfs/dbraw/zinc/17/76/36/910177636.db2.gz	ROKJFKCWAJIQRW-UHFFFAOYSA-N	-1	0	264.314	0.241	20	30		CCEDRM
C=CCO[C@@H]1CCN(C(=O)c2n[nH]c(C)c2[O-])C1	ZINC001320352344	910627712	/nfs/dbraw/zinc/62/77/12/910627712.db2.gz	NNQSZSIPCHQHKA-SECBINFHSA-N	-1	0	251.286	0.841	20	30		CCEDRM
CN(CC#N)C(=O)c1cccc(C(=O)N(C)CC#N)c1[O-]	ZINC001321298907	911214242	/nfs/dbraw/zinc/21/42/42/911214242.db2.gz	KJPLGFDXOPLMHO-UHFFFAOYSA-N	-1	0	286.291	0.583	20	30		CCEDRM
C=CC[C@@H](NC(=O)CCc1ccnn1C)C(=O)[O-]	ZINC001321339955	911245983	/nfs/dbraw/zinc/24/59/83/911245983.db2.gz	SVYYKEWRFGOWCG-SNVBAGLBSA-N	-1	0	251.286	0.498	20	30		CCEDRM
C=CC[C@H](NC(=O)[C@@H](C)OC[C@@H]1CCCO1)C(=O)[O-]	ZINC001321658121	911427816	/nfs/dbraw/zinc/42/78/16/911427816.db2.gz	OHPWXLUZLWEWMF-VWYCJHECSA-N	-1	0	271.313	0.716	20	30		CCEDRM
CSc1[n-]c(=O)c(C(=O)NCCCC(N)=O)cc1C#N	ZINC001322874885	912001996	/nfs/dbraw/zinc/00/19/96/912001996.db2.gz	XMOVGRXFGZMPPL-UHFFFAOYSA-N	-1	0	294.336	0.376	20	30		CCEDRM
C#CCO[C@@H](C)C(=O)[N-]OC(C)(C)C(=O)OCC	ZINC001328066871	914942240	/nfs/dbraw/zinc/94/22/40/914942240.db2.gz	YSHICTTZHFSOFT-VIFPVBQESA-N	-1	0	257.286	0.414	20	30		CCEDRM
C#CC[C@H](NC(=O)[C@H](C)N1CCSCC1)C(=O)[O-]	ZINC001339539454	921756930	/nfs/dbraw/zinc/75/69/30/921756930.db2.gz	MJWJYNPMZKCCKM-UWVGGRQHSA-N	-1	0	270.354	0.016	20	30		CCEDRM
C=C1CCN(C(=O)c2c[n-]n3c2nccc3=O)CC1	ZINC001328627297	915318881	/nfs/dbraw/zinc/31/88/81/915318881.db2.gz	KOXHBRISIDPPAK-UHFFFAOYSA-N	-1	0	258.281	0.815	20	30		CCEDRM
CCC[C@@H](OCC)C(=O)[N-]S(=O)(=O)CCCC#N	ZINC001328931987	915528154	/nfs/dbraw/zinc/52/81/54/915528154.db2.gz	JCPPIRBUBDHQFE-SNVBAGLBSA-N	-1	0	276.358	0.941	20	30		CCEDRM
Cc1nc(Cn2c(=O)[n-]cc(C#N)c2=O)c(C)s1	ZINC001329408561	915889176	/nfs/dbraw/zinc/88/91/76/915889176.db2.gz	BRWBGRBAZAQPQD-UHFFFAOYSA-N	-1	0	262.294	0.530	20	30		CCEDRM
C=C[C@H](COC)NC(=O)N1CC[C@@H](C(=O)[O-])[C@@H]1C	ZINC001588692575	983883152	/nfs/dbraw/zinc/88/31/52/983883152.db2.gz	FAEOEZKKVARIGE-IVZWLZJFSA-N	-1	0	256.302	0.692	20	30		CCEDRM
C=CCN(C(=O)C(=O)N[C@H]1C[C@@H](C(=O)[O-])C1)C(C)C	ZINC001331080807	917073747	/nfs/dbraw/zinc/07/37/47/917073747.db2.gz	QAHVYYYYYNPKPC-AOOOYVTPSA-N	-1	0	268.313	0.389	20	30		CCEDRM
C=C[C@@H](OC(=O)[C@@H]1CCN(C(=O)CC)C1)C(=O)[O-]	ZINC001588710479	983932178	/nfs/dbraw/zinc/93/21/78/983932178.db2.gz	CLAACHKFLXBYEW-RKDXNWHRSA-N	-1	0	255.270	0.427	20	30		CCEDRM
C=CCCN(C)C(=O)C(=O)N[C@H]1C[C@@H](C(=O)[O-])C1	ZINC001331523812	917395701	/nfs/dbraw/zinc/39/57/01/917395701.db2.gz	WRGUODMGAPTPJO-DTORHVGOSA-N	-1	0	254.286	0.000	20	30		CCEDRM
C=CC[C@H](NC(=O)C[C@@H]1CCOC[C@@H]1OCC)C(=O)[O-]	ZINC001331818383	917636510	/nfs/dbraw/zinc/63/65/10/917636510.db2.gz	JBBBPTCPWFRLRA-SRVKXCTJSA-N	-1	0	285.340	0.964	20	30		CCEDRM
C=CC[C@@H](NC(=O)[C@@H](OC)c1cnn(C)c1)C(=O)[O-]	ZINC001332135797	917896436	/nfs/dbraw/zinc/89/64/36/917896436.db2.gz	LHXAAKGPGXTGQL-ZJUUUORDSA-N	-1	0	267.285	0.253	20	30		CCEDRM
C=CC[C@H](NC(=O)[C@H](O)c1cccc(OC)c1)C(=O)[O-]	ZINC001332136869	917897015	/nfs/dbraw/zinc/89/70/15/917897015.db2.gz	RTQPCBRPBICLLO-NWDGAFQWSA-N	-1	0	279.292	0.874	20	30		CCEDRM
C[C@@H](C(=O)Nc1nc(C#N)c(C#N)[n-]1)n1ccnc1	ZINC001332227311	917970748	/nfs/dbraw/zinc/97/07/48/917970748.db2.gz	LTZIPLKDIWBKKL-ZETCQYMHSA-N	-1	0	255.241	0.549	20	30		CCEDRM
CC#CCS(=O)(=O)[N-]C(=O)CCC(=O)c1cccnc1	ZINC001332593669	918298051	/nfs/dbraw/zinc/29/80/51/918298051.db2.gz	VLZQSYMPDSYKBN-UHFFFAOYSA-N	-1	0	294.332	0.514	20	30		CCEDRM
C=CC[C@H](NC(=O)[C@@H]1CCc2nc[nH]c2C1)C(=O)[O-]	ZINC001332614528	918311130	/nfs/dbraw/zinc/31/11/30/918311130.db2.gz	YRMVOGIXRVBYJN-SCZZXKLOSA-N	-1	0	263.297	0.660	20	30		CCEDRM
C#CC[C@H](NC(=O)c1cccc2c1COCC2)C(=O)[O-]	ZINC001332624204	918323749	/nfs/dbraw/zinc/32/37/49/918323749.db2.gz	RCFORSIIRBSBOF-ZDUSSCGKSA-N	-1	0	273.288	0.966	20	30		CCEDRM
C=C[C@H](C)O[N-]C(=O)CNS(=O)(=O)c1ccccc1	ZINC001332712339	918399674	/nfs/dbraw/zinc/39/96/74/918399674.db2.gz	UGIWGMCYIYJEEH-JTQLQIEISA-N	-1	0	284.337	0.587	20	30		CCEDRM
C=CC[C@H](NC(=O)Cn1cc(Cl)cn1)C(=O)[O-]	ZINC001333333169	918812175	/nfs/dbraw/zinc/81/21/75/918812175.db2.gz	YYDCFYBAKPEQNC-QMMMGPOBSA-N	-1	0	257.677	0.682	20	30		CCEDRM
C=CC[C@H](NC(=O)[C@H]1CCCc2n[nH]cc21)C(=O)[O-]	ZINC001334185876	919408150	/nfs/dbraw/zinc/40/81/50/919408150.db2.gz	GAUJWTRIIOLJAE-KWQFWETISA-N	-1	0	263.297	0.975	20	30		CCEDRM
C=CC[C@@H](NC(=O)[C@@H]1CSCCS1)C(=O)[O-]	ZINC001334980374	919879950	/nfs/dbraw/zinc/87/99/50/919879950.db2.gz	HEHIOJOLQSPTAJ-SFYZADRCSA-N	-1	0	261.368	0.981	20	30		CCEDRM
Cn1c(=O)[n-]c(NCCC[C@@H]2CCOC2)c(C#N)c1=O	ZINC001336647453	920900847	/nfs/dbraw/zinc/90/08/47/920900847.db2.gz	ACELIVAOIQJKHE-SECBINFHSA-N	-1	0	278.312	0.174	20	30		CCEDRM
CN(Cc1nc(=O)o[n-]1)C(=O)c1ncc(C#N)cc1Cl	ZINC001418189192	921884540	/nfs/dbraw/zinc/88/45/40/921884540.db2.gz	WNEXJLPGQUSWRE-UHFFFAOYSA-N	-1	0	293.670	0.555	20	30		CCEDRM
C[C@@H](CC1CCC1)NC(=O)Cn1cc(C#N)c(=O)[n-]c1=O	ZINC001418734569	922394688	/nfs/dbraw/zinc/39/46/88/922394688.db2.gz	ULJJCQAPILGABJ-VIFPVBQESA-N	-1	0	290.323	0.515	20	30		CCEDRM
C=C(C)C[C@@H](CO)NC(=O)N[C@@H]1CC[C@H](C(=O)[O-])C1	ZINC001341257630	922401391	/nfs/dbraw/zinc/40/13/91/922401391.db2.gz	OMDCMITUMYBRGJ-AXFHLTTASA-N	-1	0	270.329	0.866	20	30		CCEDRM
C#CCN(C)c1nnc(-c2cc(=O)n(C)[n-]2)n1CCOC	ZINC001341433838	922485868	/nfs/dbraw/zinc/48/58/68/922485868.db2.gz	CGVOWTSNSVUVOO-UHFFFAOYSA-N	-1	0	290.327	0.100	20	30		CCEDRM
Cn1ccc(C([O-])=C(C#N)C(=O)NC2CCCC2)n1	ZINC001342112303	922809117	/nfs/dbraw/zinc/80/91/17/922809117.db2.gz	XPUFVQRNPOMQQJ-SNVBAGLBSA-N	-1	0	260.297	0.801	20	30		CCEDRM
C#CCCCNC(=O)C(=O)[N-]OCc1ccccc1	ZINC001342393465	922943948	/nfs/dbraw/zinc/94/39/48/922943948.db2.gz	WWSKKGOEORBNDG-UHFFFAOYSA-N	-1	0	260.293	0.764	20	30		CCEDRM
N#CCCCCCC(=O)NCCc1nc(=O)o[n-]1	ZINC001342552470	923000073	/nfs/dbraw/zinc/00/00/73/923000073.db2.gz	RSBDRYJPEZEQRZ-UHFFFAOYSA-N	-1	0	252.274	0.496	20	30		CCEDRM
Cc1cc(C#N)c(=O)[n-]c1C(=O)NC[C@@H](C)c1ncon1	ZINC001420018790	923240697	/nfs/dbraw/zinc/24/06/97/923240697.db2.gz	WEIBHMACYIAFNC-MRVPVSSYSA-N	-1	0	287.279	0.884	20	30		CCEDRM
Cc1nn2cccnc2c1C([O-])=C(C#N)C(=O)NC1CC1	ZINC001343432398	923313716	/nfs/dbraw/zinc/31/37/16/923313716.db2.gz	VMLGAPHJMUFXBA-JTQLQIEISA-N	-1	0	283.291	0.639	20	30		CCEDRM
C=CCNC(=O)C(C#N)=C([O-])c1cn2c(n1)CCCC2	ZINC001343468465	923333296	/nfs/dbraw/zinc/33/32/96/923333296.db2.gz	BTBLRSZHDHDAFP-SNVBAGLBSA-N	-1	0	272.308	0.844	20	30		CCEDRM
COCCNC(=O)C(C#N)=C([O-])c1nccc2occc21	ZINC001343492688	923347822	/nfs/dbraw/zinc/34/78/22/923347822.db2.gz	SJGGZXHALQNIHC-SNVBAGLBSA-N	-1	0	287.275	0.913	20	30		CCEDRM
CNC(=O)C(C#N)=C([O-])c1ccc([S@](C)=O)cc1	ZINC001343982865	923521036	/nfs/dbraw/zinc/52/10/36/923521036.db2.gz	MPKINZUXOULKOT-MGNBDDOMSA-N	-1	0	264.306	0.492	20	30		CCEDRM
CNC(=O)C(C#N)=C([O-])c1ccc([S@](C)=O)cc1	ZINC001343982878	923522233	/nfs/dbraw/zinc/52/22/33/923522233.db2.gz	MPKINZUXOULKOT-YPMLDQLKSA-N	-1	0	264.306	0.492	20	30		CCEDRM
C=CCCOCC(=O)N1CC[C@H]([C@H](F)C(=O)[O-])C1	ZINC001344536756	923628187	/nfs/dbraw/zinc/62/81/87/923628187.db2.gz	RXQHURGOOMCYKX-ONGXEEELSA-N	-1	0	259.277	0.850	20	30		CCEDRM
C=CC[C@@H](NC(=O)C(=O)Nc1cc(C)on1)C(=O)[O-]	ZINC001344553583	923634648	/nfs/dbraw/zinc/63/46/48/923634648.db2.gz	UNQGEYAIHVVCTP-SSDOTTSWSA-N	-1	0	267.241	0.067	20	30		CCEDRM
COc1nccc(C([O-])=C(C#N)c2nccn2C)n1	ZINC001346537260	924256911	/nfs/dbraw/zinc/25/69/11/924256911.db2.gz	IYWQTZZVHHNTDJ-MRVPVSSYSA-N	-1	0	257.253	0.709	20	30		CCEDRM
C=C[C@@H]1OCC[C@H]1C(=O)N1CCC[C@@H](Cc2nnn[n-]2)C1	ZINC001348166150	924608756	/nfs/dbraw/zinc/60/87/56/924608756.db2.gz	OXVNIZYTMRSCJR-TUAOUCFPSA-N	-1	0	291.355	0.572	20	30		CCEDRM
N#CCCCCC(=O)[N-]S(=O)(=O)C[C@@H]1CCOC1	ZINC001349801524	925063206	/nfs/dbraw/zinc/06/32/06/925063206.db2.gz	UHASSZCRVSVYEX-SNVBAGLBSA-N	-1	0	274.342	0.553	20	30		CCEDRM
C=CCOC[C@H](NCc1cc(OC)ns1)C(=O)[O-]	ZINC001350610505	925239570	/nfs/dbraw/zinc/23/95/70/925239570.db2.gz	IAYXTMHREYAMBM-VIFPVBQESA-N	-1	0	272.326	0.897	20	30		CCEDRM
CCCN(CCC)c1[n-]c(=O)n(C)c(=O)c1C#N	ZINC001354070080	926003369	/nfs/dbraw/zinc/00/33/69/926003369.db2.gz	JLGFQGBJCYPNFJ-UHFFFAOYSA-N	-1	0	250.302	0.572	20	30		CCEDRM
CC[C@@H](C)[C@@H](C)Nc1[n-]c(=O)n(C)c(=O)c1C#N	ZINC001354089999	926011939	/nfs/dbraw/zinc/01/19/39/926011939.db2.gz	NDVLNLIUDCRIKI-HTQZYQBOSA-N	-1	0	250.302	0.792	20	30		CCEDRM
O=C([O-])c1coc(C=NNCCCN2CCOCC2)c1	ZINC001356021625	926335818	/nfs/dbraw/zinc/33/58/18/926335818.db2.gz	MIEVPAPLUKHLQJ-UHFFFAOYSA-N	-1	0	281.312	0.624	20	30		CCEDRM
N#CC(C(=O)N1CCCC1)=C([O-])c1noc2c1COCC2	ZINC001356132217	926347765	/nfs/dbraw/zinc/34/77/65/926347765.db2.gz	ZBQLGBCVJNBHQB-SECBINFHSA-N	-1	0	289.291	0.692	20	30		CCEDRM
COCCNC(=O)C(C#N)=C([O-])c1ccc([N+](=O)[O-])[nH]1	ZINC001357542124	926560206	/nfs/dbraw/zinc/56/02/06/926560206.db2.gz	FGJVPAPZXIJRRI-SSDOTTSWSA-N	-1	0	280.240	0.008	20	30		CCEDRM
N#CC(C(=O)NC1CC1)=C([O-])c1cc(C(N)=O)cs1	ZINC001357557880	926561641	/nfs/dbraw/zinc/56/16/41/926561641.db2.gz	ZBSPJTXIVHDNAP-MRVPVSSYSA-N	-1	0	277.305	0.448	20	30		CCEDRM
CC(C)c1nn(C)cc1Nc1[n-]c(=O)n(C)c(=O)c1C#N	ZINC001413884664	926861844	/nfs/dbraw/zinc/86/18/44/926861844.db2.gz	FKDZBTRHURMNTQ-UHFFFAOYSA-N	-1	0	288.311	0.546	20	30		CCEDRM
N#Cc1cnccc1N1CC(n2cc(C#N)c(=O)[n-]c2=O)C1	ZINC001413901582	926901607	/nfs/dbraw/zinc/90/16/07/926901607.db2.gz	QPIUPVHYZZVMFJ-UHFFFAOYSA-N	-1	0	294.274	0.149	20	30		CCEDRM
C=CC[C@H](NC(=O)[C@@H]1CCCN1C(=O)C1CC1)C(=O)[O-]	ZINC000150152603	926946405	/nfs/dbraw/zinc/94/64/05/926946405.db2.gz	UBBAXDCCWCZBRG-QWRGUYRKSA-N	-1	0	280.324	0.533	20	30		CCEDRM
C=CC[C@H](NC(=O)[C@H](C)NC(=O)C(C)(C)C)C(=O)[O-]	ZINC000150212856	926948255	/nfs/dbraw/zinc/94/82/55/926948255.db2.gz	NJRPVOMTQKSCJV-IUCAKERBSA-N	-1	0	270.329	0.683	20	30		CCEDRM
Cc1cc(C#N)c(=O)[n-]c1C(=O)N(C)CC(=O)NC1CC1	ZINC001361868708	927403890	/nfs/dbraw/zinc/40/38/90/927403890.db2.gz	OVYZWFPLKMZSSM-UHFFFAOYSA-N	-1	0	288.307	0.318	20	30		CCEDRM
Cc1cc(C#N)c(=O)[n-]c1C(=O)N1CC[C@@H](n2cncn2)C1	ZINC001362390157	927956586	/nfs/dbraw/zinc/95/65/86/927956586.db2.gz	DTMAFGQRFLCKTB-LLVKDONJSA-N	-1	0	298.306	0.646	20	30		CCEDRM
Cc1cc(C(=O)NCc2n[nH]c(=O)[n-]2)cc(C)c1C#N	ZINC001362416865	927989107	/nfs/dbraw/zinc/98/91/07/927989107.db2.gz	SCNUKMRHTICYHL-UHFFFAOYSA-N	-1	0	271.280	0.929	20	30		CCEDRM
CCn1ncn([N-]C(=O)c2cc(C#N)ccc2F)c1=O	ZINC001362500629	928104283	/nfs/dbraw/zinc/10/42/83/928104283.db2.gz	GSIKXCWPWBITCC-UHFFFAOYSA-N	-1	0	275.243	0.459	20	30		CCEDRM
Cc1cc(C#N)c(=O)[n-]c1C(=O)N1CC(=O)N(C)[C@@H](C)C1	ZINC001362551009	928166828	/nfs/dbraw/zinc/16/68/28/928166828.db2.gz	UKPJSNWSAOCRSD-VIFPVBQESA-N	-1	0	288.307	0.270	20	30		CCEDRM
N#Cc1cc(C(=O)N2CCC[C@@H](c3nnn[n-]3)C2)co1	ZINC001362563783	928181894	/nfs/dbraw/zinc/18/18/94/928181894.db2.gz	SPKIWTDUQHCZNP-MRVPVSSYSA-N	-1	0	272.268	0.684	20	30		CCEDRM
Cc1cc(C#N)c(=O)[n-]c1C(=O)N[C@H]1C[C@H](C)n2ncnc21	ZINC001362665119	928326682	/nfs/dbraw/zinc/32/66/82/928326682.db2.gz	KQYKUKNZFPHXMD-WPRPVWTQSA-N	-1	0	298.306	0.995	20	30		CCEDRM
CC(=O)N1CC[C@@H](NC(=O)c2[n-]c(=O)c(C#N)cc2C)C1	ZINC001362700891	928381123	/nfs/dbraw/zinc/38/11/23/928381123.db2.gz	AHYBKQZHZXZPKR-LLVKDONJSA-N	-1	0	288.307	0.318	20	30		CCEDRM
Cc1cc(C#N)c(=O)[n-]c1C(=O)NC[C@H]1CC[C@H](O)C1	ZINC001362787195	928489617	/nfs/dbraw/zinc/48/96/17/928489617.db2.gz	RXGHHCODTJAZIR-ONGXEEELSA-N	-1	0	275.308	0.858	20	30		CCEDRM
Cc1cc(C#N)c(=O)[n-]c1C(=O)N[C@H]1CCn2cncc2C1	ZINC001362828198	928541676	/nfs/dbraw/zinc/54/16/76/928541676.db2.gz	SBNYLYBWCBTMBL-NSHDSACASA-N	-1	0	297.318	0.909	20	30		CCEDRM
C[C@@]1(C(=O)Nc2nc(C#N)c(C#N)[n-]2)CCNC(=O)C1	ZINC001362864054	928587799	/nfs/dbraw/zinc/58/77/99/928587799.db2.gz	LYGNDZDDDSUFBE-GFCCVEGCSA-N	-1	0	272.268	0.008	20	30		CCEDRM
CN(Cc1nc(=O)o[n-]1)C(=O)Cc1ccc(C#N)cc1	ZINC001362948310	928685541	/nfs/dbraw/zinc/68/55/41/928685541.db2.gz	NIVPXTDNXUPGMJ-UHFFFAOYSA-N	-1	0	272.264	0.436	20	30		CCEDRM
Cc1cc(C#N)c(=O)[n-]c1C(=O)N1CCO[C@@H]([C@H](C)O)C1	ZINC001363028891	928780099	/nfs/dbraw/zinc/78/00/99/928780099.db2.gz	JOHLIYNUAKOELV-GXSJLCMTSA-N	-1	0	291.307	0.189	20	30		CCEDRM
Cc1cc(C#N)c(=O)[n-]c1C(=O)N1CCO[C@H]([C@H](C)O)C1	ZINC001363028900	928780446	/nfs/dbraw/zinc/78/04/46/928780446.db2.gz	JOHLIYNUAKOELV-ONGXEEELSA-N	-1	0	291.307	0.189	20	30		CCEDRM
N#Cc1ccc(CCNC(=O)CCc2nnn[n-]2)cc1	ZINC001363053304	928813421	/nfs/dbraw/zinc/81/34/21/928813421.db2.gz	NVGAUIQOZOKTPX-UHFFFAOYSA-N	-1	0	270.296	0.363	20	30		CCEDRM
CN1CC2(CN(C(=O)c3ccc(C#N)c(O)c3)C2)OC1=O	ZINC001363069066	928832060	/nfs/dbraw/zinc/83/20/60/928832060.db2.gz	JCJPZFWAAUZQGK-UHFFFAOYSA-N	-1	0	287.275	0.540	20	30		CCEDRM
CCC(CC)(NC(=O)c1ccc(C#N)cn1)c1nnn[n-]1	ZINC001363137333	928910619	/nfs/dbraw/zinc/91/06/19/928910619.db2.gz	QWAPVYFUMNTOJI-UHFFFAOYSA-N	-1	0	285.311	0.912	20	30		CCEDRM
Cc1ccn(C[C@@H](C)C(=O)Nc2nc(C#N)c(C#N)[n-]2)n1	ZINC001363155694	928927488	/nfs/dbraw/zinc/92/74/88/928927488.db2.gz	IKTFJDJRYWTAPY-MRVPVSSYSA-N	-1	0	283.295	0.933	20	30		CCEDRM
N#Cc1nc(NC(=O)c2ccc3c(n2)OCCO3)[n-]c1C#N	ZINC001363162832	928936393	/nfs/dbraw/zinc/93/63/93/928936393.db2.gz	YAMSXLISLQLANZ-UHFFFAOYSA-N	-1	0	296.246	0.572	20	30		CCEDRM
CCOc1n[nH]c(NC(=O)c2[n-]c(=O)c(C#N)cc2C)n1	ZINC001363267670	929051714	/nfs/dbraw/zinc/05/17/14/929051714.db2.gz	FMAHROCKZYXSJK-UHFFFAOYSA-N	-1	0	288.267	0.736	20	30		CCEDRM
CNC(=O)[C@H]1CCN(C(=O)c2[n-]c(=O)c(C#N)cc2C)C1	ZINC001363456408	929258424	/nfs/dbraw/zinc/25/84/24/929258424.db2.gz	PNKSMHARLKWXHS-VIFPVBQESA-N	-1	0	288.307	0.175	20	30		CCEDRM
C=CCOCC(=O)Nc1ccc([O-])c(S(N)(=O)=O)c1	ZINC001447074460	930560148	/nfs/dbraw/zinc/56/01/48/930560148.db2.gz	HYHMDJLWZHZSFP-UHFFFAOYSA-N	-1	0	286.309	0.181	20	30		CCEDRM
C#CCO[C@H](C)C(=O)Nc1ccc(-n2nn[n-]c2=O)cc1	ZINC001447735788	930690467	/nfs/dbraw/zinc/69/04/67/930690467.db2.gz	RXYOADNSDLXZHP-SECBINFHSA-N	-1	0	287.279	0.345	20	30		CCEDRM
Cc1cc(C#N)c(=O)[n-]c1C(=O)N[C@H](CO)c1ccccn1	ZINC001450218345	931247962	/nfs/dbraw/zinc/24/79/62/931247962.db2.gz	HVJQMEXQWJQJRM-GFCCVEGCSA-N	-1	0	298.302	0.826	20	30		CCEDRM
CCn1ncc(C(=O)COC(=O)[C@](C)(C#N)CC(=O)[O-])n1	ZINC001610887585	970773445	/nfs/dbraw/zinc/77/34/45/970773445.db2.gz	CVVWVEVTSQTGIK-LBPRGKRZSA-N	-1	0	294.267	0.028	20	30		CCEDRM
CN(CC(=O)[O-])C(=O)[C@H](C#N)Cc1ccc(C#N)cc1	ZINC001610908471	970785115	/nfs/dbraw/zinc/78/51/15/970785115.db2.gz	ONPUCSVOMWQUTJ-LBPRGKRZSA-N	-1	0	271.276	0.784	20	30		CCEDRM
N#Cc1cccc(OCC(=O)N2CC(C(=O)[O-])C2)c1	ZINC001601121719	970937067	/nfs/dbraw/zinc/93/70/67/970937067.db2.gz	SFMQYABJVDSMGU-UHFFFAOYSA-N	-1	0	260.249	0.480	20	30		CCEDRM
N#Cc1cccc(N2CCN(C(=O)CCC(=O)[O-])CC2)n1	ZINC001601122705	970937577	/nfs/dbraw/zinc/93/75/77/970937577.db2.gz	SGBGGEFMTVNUII-UHFFFAOYSA-N	-1	0	288.307	0.467	20	30		CCEDRM
O=C([O-])c1ccc(/C=C\C(=O)N[C@H]2CCCN(O)C2=O)o1	ZINC001601237265	970962089	/nfs/dbraw/zinc/96/20/89/970962089.db2.gz	PMXXOYTXNQHPDZ-RNEXMXFGSA-N	-1	0	294.263	0.487	20	30		CCEDRM
Cc1onc(CC(=O)N2CC[C@](C)(C(=O)[O-])C2)c1C#N	ZINC001611268237	970962896	/nfs/dbraw/zinc/96/28/96/970962896.db2.gz	KTBRBWOHQPRXTR-ZDUSSCGKSA-N	-1	0	277.280	0.720	20	30		CCEDRM
C#CC1(O)CN(C(=O)NCc2cccc(C(=O)[O-])c2)C1	ZINC001602673324	971239283	/nfs/dbraw/zinc/23/92/83/971239283.db2.gz	SSUGRTYTXHDINI-UHFFFAOYSA-N	-1	0	274.276	0.274	20	30		CCEDRM
C#C[C@@H]1COCCN1C(=O)c1cccc(C(=O)[O-])c1	ZINC001602675278	971246463	/nfs/dbraw/zinc/24/64/63/971246463.db2.gz	OODCDLJHCSRVSV-GFCCVEGCSA-N	-1	0	259.261	0.859	20	30		CCEDRM
C#CC[C@@H]1NC(=O)N(C[C@H](C(=O)[O-])C(C)C)C1=O	ZINC001602675286	971247718	/nfs/dbraw/zinc/24/77/18/971247718.db2.gz	OSUGXJGIAIPNAR-IUCAKERBSA-N	-1	0	252.270	0.287	20	30		CCEDRM
C#CCN(CC(=O)[O-])C(=O)[C@@H]1Cc2cccc(C)c2O1	ZINC001602682286	971267997	/nfs/dbraw/zinc/26/79/97/971267997.db2.gz	LMHFNBSLVOHABA-LBPRGKRZSA-N	-1	0	273.288	0.845	20	30		CCEDRM
C#CCN(CC(=O)[O-])C(=O)C[C@H]1CSCCS1	ZINC001602682672	971269567	/nfs/dbraw/zinc/26/95/67/971269567.db2.gz	SNPONCAVDMMRDS-VIFPVBQESA-N	-1	0	273.379	0.772	20	30		CCEDRM
C#Cc1ccccc1CC(=O)Nc1c[nH]nc1-c1nnn[n-]1	ZINC001573290632	946907472	/nfs/dbraw/zinc/90/74/72/946907472.db2.gz	NIWWJICOERSIJS-UHFFFAOYSA-N	-1	0	293.290	0.752	20	30		CCEDRM
C#CCN(CC(=O)[O-])C(=O)c1c(C2CC2)cnn1C	ZINC001602691726	971298645	/nfs/dbraw/zinc/29/86/45/971298645.db2.gz	VRKOGHBZZCUQHK-UHFFFAOYSA-N	-1	0	261.281	0.458	20	30		CCEDRM
C#CCN(CC(=O)[O-])Cc1noc(CCCC(=O)OC)n1	ZINC001602699411	971317020	/nfs/dbraw/zinc/31/70/20/971317020.db2.gz	RDDKJSMDGSJFJA-UHFFFAOYSA-N	-1	0	295.295	0.085	20	30		CCEDRM
C#CCN(CC(=O)[O-])Cc1nn(C)cc1Br	ZINC001602699487	971317774	/nfs/dbraw/zinc/31/77/74/971317774.db2.gz	VYICPTOVGMTTHE-UHFFFAOYSA-N	-1	0	286.129	0.702	20	30		CCEDRM
C=C[C@H](O)C(=O)N[C@@H](C(=O)[O-])c1ccc(F)cc1	ZINC001602717502	971368706	/nfs/dbraw/zinc/36/87/06/971368706.db2.gz	PBQBDTQXMOICPE-VHSXEESVSA-N	-1	0	253.229	0.615	20	30		CCEDRM
C=CCCn1cc(COC(=O)[C@@H](C)C(=O)[O-])nn1	ZINC001602721952	971384712	/nfs/dbraw/zinc/38/47/12/971384712.db2.gz	JURGAMJPQJYYFW-QMMMGPOBSA-N	-1	0	253.258	0.618	20	30		CCEDRM
C=CCN(CCC#N)C(=O)Nc1ccn(CC(=O)[O-])n1	ZINC001602722784	971389338	/nfs/dbraw/zinc/38/93/38/971389338.db2.gz	PJTMZGRKCKDEJH-UHFFFAOYSA-N	-1	0	277.284	0.901	20	30		CCEDRM
C=CCN1CC[C@@H](N(C)C(=O)C2(C(=O)[O-])CCC2)C1=O	ZINC001602722849	971390118	/nfs/dbraw/zinc/39/01/18/971390118.db2.gz	UPZMQSJXEFDBSZ-SNVBAGLBSA-N	-1	0	280.324	0.487	20	30		CCEDRM
C=CCn1c(C2CC(O)C2)nnc1N1CC[C@@H](C(=O)[O-])C1	ZINC001602730116	971405905	/nfs/dbraw/zinc/40/59/05/971405905.db2.gz	ULSBZCQXQGYHHS-KPPDAEKUSA-N	-1	0	292.339	0.613	20	30		CCEDRM
N#CCCNC(=O)CN1CCc2ccccc2[C@@H]1C(=O)[O-]	ZINC000043594141	948891977	/nfs/dbraw/zinc/89/19/77/948891977.db2.gz	GZQKJFLNSNPTCZ-CQSZACIVSA-N	-1	0	287.319	0.700	20	30		CCEDRM
C[C@@](C#N)(CC(=O)[O-])C(=O)N[C@H]1CC12CC(O)C2	ZINC001602780482	971518675	/nfs/dbraw/zinc/51/86/75/971518675.db2.gz	HWOVAHXXFVZGNP-FLIATZMSSA-N	-1	0	252.270	0.021	20	30		CCEDRM
C[C@@](C#N)(CC(=O)[O-])C(=O)NCc1cccnc1F	ZINC001602781125	971522626	/nfs/dbraw/zinc/52/26/26/971522626.db2.gz	RTZASJRCZDFVHJ-LBPRGKRZSA-N	-1	0	265.244	0.841	20	30		CCEDRM
N#Cc1ccc(F)cc1CN1CCOC[C@H]1C(=O)[O-]	ZINC000088378125	949105721	/nfs/dbraw/zinc/10/57/21/949105721.db2.gz	PCNQVTOVJXRIKA-LBPRGKRZSA-N	-1	0	264.256	0.983	20	30		CCEDRM
C#CCN(CC(=O)[O-])C(=O)[C@H](OC)c1ccccc1	ZINC000092476540	949143988	/nfs/dbraw/zinc/14/39/88/949143988.db2.gz	NWCRBMVJNMTARZ-CYBMUJFWSA-N	-1	0	261.277	0.921	20	30		CCEDRM
C#CCN(CC(=O)[O-])C(=O)Cc1ccc(OC)c(OC)c1	ZINC000092476976	949143998	/nfs/dbraw/zinc/14/39/98/949143998.db2.gz	RVBZFMVXEUPCRG-UHFFFAOYSA-N	-1	0	291.303	0.793	20	30		CCEDRM
C#CCN(CC(=O)[O-])CC(=O)NCc1ccc(F)cc1	ZINC000092482577	949153936	/nfs/dbraw/zinc/15/39/36/949153936.db2.gz	WCBICYKMJDFNEL-UHFFFAOYSA-N	-1	0	278.283	0.462	20	30		CCEDRM
CC[C@@H]1COCCN1CCNC(=O)[C@](C)(C#N)CC(=O)[O-]	ZINC001589626759	949487393	/nfs/dbraw/zinc/48/73/93/949487393.db2.gz	QADVKXKHAYWMCJ-RISCZKNCSA-N	-1	0	297.355	0.218	20	30		CCEDRM
CC(C)CN(CCC#N)C(=O)[C@H]1CC(C(=O)[O-])=NO1	ZINC000230758819	949708833	/nfs/dbraw/zinc/70/88/33/949708833.db2.gz	RRKYMTXOBFOUJT-SNVBAGLBSA-N	-1	0	267.285	0.614	20	30		CCEDRM
O=C([O-])C1(C(=O)N2CCC3(CC2)CC(=O)C=CO3)CC1	ZINC001595280255	949974481	/nfs/dbraw/zinc/97/44/81/949974481.db2.gz	VMWWVGUYZCKFNI-UHFFFAOYSA-N	-1	0	279.292	0.716	20	30		CCEDRM
CCCn1ncnc1COC(=O)[C@](C)(C#N)CC(=O)[O-]	ZINC001589697407	950183151	/nfs/dbraw/zinc/18/31/51/950183151.db2.gz	SCATZIGIOPNFJV-LBPRGKRZSA-N	-1	0	280.284	0.736	20	30		CCEDRM
CCN(C[C@@H](C)C#N)C(=O)COC(=O)[C@]1(C(=O)[O-])C[C@H]1C	ZINC001589720494	950415686	/nfs/dbraw/zinc/41/56/86/950415686.db2.gz	QNPZDSSHTHDZBC-IMSIIYSGSA-N	-1	0	296.323	0.649	20	30		CCEDRM
O=C([O-])CC[C@@H]1CCCCN1C(=O)NCC#CCO	ZINC001595011623	951247588	/nfs/dbraw/zinc/24/75/88/951247588.db2.gz	SMOBWDFJBDLAEF-NSHDSACASA-N	-1	0	268.313	0.411	20	30		CCEDRM
C#CCN(CC(=O)[O-])C(=O)NC[C@](C)(OC)C1CC1	ZINC000388590915	951334208	/nfs/dbraw/zinc/33/42/08/951334208.db2.gz	LUFUYYXGBSPIQF-ZDUSSCGKSA-N	-1	0	268.313	0.531	20	30		CCEDRM
C#CCN(CC(=O)[O-])C(=O)N[C@H]1CCCC1(F)F	ZINC000398020548	951580647	/nfs/dbraw/zinc/58/06/47/951580647.db2.gz	KAELXMBWBAEGQU-QMMMGPOBSA-N	-1	0	260.240	0.904	20	30		CCEDRM
CN(C)C(=O)CCCOC(=O)[C@](C)(C#N)CC(=O)[O-]	ZINC001593683613	953978901	/nfs/dbraw/zinc/97/89/01/953978901.db2.gz	FWZCGKBAHTUSGW-LBPRGKRZSA-N	-1	0	270.285	0.403	20	30		CCEDRM
C[C@@H]1CN(C(=O)[C@@](C)(C#N)CC(=O)[O-])C[C@H](C)[S@@]1=O	ZINC001589366082	954194596	/nfs/dbraw/zinc/19/45/96/954194596.db2.gz	GSAPUFODWSIZJU-RABIIJGPSA-N	-1	0	286.353	0.359	20	30		CCEDRM
CC(=NNCC1CCOCC1)c1cn(CC(=O)[O-])nn1	ZINC001602990872	972015314	/nfs/dbraw/zinc/01/53/14/972015314.db2.gz	MQXBTOUXIAKKJD-UHFFFAOYSA-N	-1	0	281.316	0.103	20	30		CCEDRM
CC[C@H](C#N)C(=O)N[C@@H](C(=O)[O-])c1ccnn1C	ZINC001589426311	954625344	/nfs/dbraw/zinc/62/53/44/954625344.db2.gz	HJZGJJODOCKBOS-VXNVDRBHSA-N	-1	0	250.258	0.212	20	30		CCEDRM
CC[C@H](C(=O)[O-])N(C)CC(=O)NCc1cccc(C#N)c1	ZINC001589440722	954708447	/nfs/dbraw/zinc/70/84/47/954708447.db2.gz	HZHYTLSIQVZODL-CYBMUJFWSA-N	-1	0	289.335	0.969	20	30		CCEDRM
COC(=O)CCN(CC(=O)[O-])c1c(C#N)cccc1C#N	ZINC001593843379	955386082	/nfs/dbraw/zinc/38/60/82/955386082.db2.gz	WYFKJWGOEPGOHB-UHFFFAOYSA-N	-1	0	287.275	0.884	20	30		CCEDRM
C[C@@H](CCC#N)CN1CCS(=O)(=O)C[C@H]1C(=O)[O-]	ZINC001589012857	955395585	/nfs/dbraw/zinc/39/55/85/955395585.db2.gz	KIWNRIICZHKOAP-UWVGGRQHSA-N	-1	0	274.342	0.110	20	30		CCEDRM
C[C@H](CN(C)C(=O)C(=O)N1CCC[C@@H](CC#N)C1)C(=O)[O-]	ZINC001589019972	955461462	/nfs/dbraw/zinc/46/14/62/955461462.db2.gz	MGYGYZIRPBXEBB-MNOVXSKESA-N	-1	0	295.339	0.318	20	30		CCEDRM
Cn1cc(Cl)c(CNC(=O)[C@@](C)(C#N)CC(=O)[O-])n1	ZINC001594546547	955689188	/nfs/dbraw/zinc/68/91/88/955689188.db2.gz	UGTCTQBXYJDWCD-LLVKDONJSA-N	-1	0	284.703	0.694	20	30		CCEDRM
CO[C@@H](C(=O)[O-])C(=O)N[C@@]1(C#N)CCc2ccccc2C1	ZINC001593920572	956072059	/nfs/dbraw/zinc/07/20/59/956072059.db2.gz	MSJRJEOFEFYCCF-DOMZBBRYSA-N	-1	0	288.303	0.653	20	30		CCEDRM
CO[C@H](C(=O)[O-])C(=O)N[C@@]1(C#N)CCc2ccccc2C1	ZINC001593920589	956072298	/nfs/dbraw/zinc/07/22/98/956072298.db2.gz	MSJRJEOFEFYCCF-WFASDCNBSA-N	-1	0	288.303	0.653	20	30		CCEDRM
CO[C@](C)(C(=O)[O-])C(=O)N1CCN([C@@H](C#N)C(C)C)CC1	ZINC001593922496	956095962	/nfs/dbraw/zinc/09/59/62/956095962.db2.gz	QDQHBXACGNIFHN-FZMZJTMJSA-N	-1	0	297.355	0.168	20	30		CCEDRM
N#CC1(C(=O)O[C@H](C(=O)[O-])C2CC2)CCOCC1	ZINC001594604087	956160656	/nfs/dbraw/zinc/16/06/56/956160656.db2.gz	OBRPPRICMBIWCZ-VIFPVBQESA-N	-1	0	253.254	0.713	20	30		CCEDRM
N#CC1(CNS(=O)(=O)N2CCC[C@H]2C(=O)[O-])CCC1	ZINC001594604456	956163033	/nfs/dbraw/zinc/16/30/33/956163033.db2.gz	WHQAKHIRYQZRGU-VIFPVBQESA-N	-1	0	287.341	0.064	20	30		CCEDRM
N#CC[C@@H](OC(=O)[C@H]1CCCN(CC(=O)[O-])C1=O)C1CC1	ZINC001594606119	956177509	/nfs/dbraw/zinc/17/75/09/956177509.db2.gz	OYNTYTQJNFMWSL-WDEREUQCSA-N	-1	0	294.307	0.545	20	30		CCEDRM
N#C[C@@H]1COCCN1C(=O)[C@@H]1CO[C@@H](CCC(=O)[O-])C1	ZINC001594606094	956177514	/nfs/dbraw/zinc/17/75/14/956177514.db2.gz	QCPTTYFGIYBHKW-AXFHLTTASA-N	-1	0	282.296	0.007	20	30		CCEDRM
N#CCCCOC(=O)c1cccn(CC(=O)[O-])c1=O	ZINC001594609159	956190705	/nfs/dbraw/zinc/19/07/05/956190705.db2.gz	RNQZSSKIIHDFFK-UHFFFAOYSA-N	-1	0	264.237	0.393	20	30		CCEDRM
N#CCCn1ccc(NC(=O)N[C@@]2(C(=O)[O-])CCOC2)n1	ZINC001594609741	956194142	/nfs/dbraw/zinc/19/41/42/956194142.db2.gz	APWYDTFNDNUTFG-LBPRGKRZSA-N	-1	0	293.283	0.162	20	30		CCEDRM
N#Cc1cc(C(=O)NC2(CC(=O)[O-])CCOCC2)ccn1	ZINC001594614305	956229158	/nfs/dbraw/zinc/22/91/58/956229158.db2.gz	QMTSUAKHGGZKOO-UHFFFAOYSA-N	-1	0	289.291	0.707	20	30		CCEDRM
C[C@@](O)(CNC(=O)Cc1cccc(C#N)c1)C(=O)[O-]	ZINC001589140392	956264310	/nfs/dbraw/zinc/26/43/10/956264310.db2.gz	KTNPTHXNADOYRD-CYBMUJFWSA-N	-1	0	262.265	0.053	20	30		CCEDRM
N#Cc1ccc(COC(=O)COCC(=O)[O-])c([N+](=O)[O-])c1	ZINC001594619619	956269637	/nfs/dbraw/zinc/26/96/37/956269637.db2.gz	LAOXXVIVZZBIEW-UHFFFAOYSA-N	-1	0	294.219	0.611	20	30		CCEDRM
CO[C@@H](COC(=O)[C@@](C)(C#N)CC(=O)[O-])C1CC1	ZINC001593941290	956275611	/nfs/dbraw/zinc/27/56/11/956275611.db2.gz	DCDAFNKIUWSLTL-JOYOIKCWSA-N	-1	0	255.270	0.959	20	30		CCEDRM
C[C@@](O)(CNC(=O)c1cccc(F)c1C#N)C(=O)[O-]	ZINC001589144404	956277144	/nfs/dbraw/zinc/27/71/44/956277144.db2.gz	KTQIFZVRKDVVHE-GFCCVEGCSA-N	-1	0	266.228	0.263	20	30		CCEDRM
N#Cc1ccc(N[C@@H]2CCCN(C(=O)C(=O)[O-])C2)nc1	ZINC001594622967	956294559	/nfs/dbraw/zinc/29/45/59/956294559.db2.gz	RVOBPBBESSTBGB-SNVBAGLBSA-N	-1	0	274.280	0.441	20	30		CCEDRM
N#Cc1ccc(S(=O)(=O)N2CCCC[C@@H]2C(=O)[O-])nc1	ZINC001594624970	956305145	/nfs/dbraw/zinc/30/51/45/956305145.db2.gz	DLEIGBOZVIOLSU-SNVBAGLBSA-N	-1	0	295.320	0.581	20	30		CCEDRM
N#Cc1ccc2c(c1)CCCN2[C@@H]1CCN(CC(=O)[O-])C1=O	ZINC001594626739	956319303	/nfs/dbraw/zinc/31/93/03/956319303.db2.gz	GOWCOPVRHWDEAC-CQSZACIVSA-N	-1	0	299.330	0.996	20	30		CCEDRM
N#Cc1cccnc1NCCNC(=O)[C@@H]1CC[C@H]1C(=O)[O-]	ZINC001594631369	956339864	/nfs/dbraw/zinc/33/98/64/956339864.db2.gz	CEPATXDSTJRYCV-GHMZBOCLSA-N	-1	0	288.307	0.592	20	30		CCEDRM
N#Cc1cccnc1OC1CCC(NC(=O)C(=O)[O-])CC1	ZINC001594631571	956343073	/nfs/dbraw/zinc/34/30/73/956343073.db2.gz	ISTNAWXVUWAXET-UHFFFAOYSA-N	-1	0	289.291	0.844	20	30		CCEDRM
N#Cc1cn(CC(=O)[O-])c(=O)n(CC2CCCCC2)c1=O	ZINC001594633074	956356919	/nfs/dbraw/zinc/35/69/19/956356919.db2.gz	MALPGCGUMBESHX-UHFFFAOYSA-N	-1	0	291.307	0.547	20	30		CCEDRM
N#Cc1cn(CC(=O)[O-])c(=O)n(CCCC2CC2)c1=O	ZINC001594633502	956359317	/nfs/dbraw/zinc/35/93/17/956359317.db2.gz	UFVDEBFZNLMJOH-UHFFFAOYSA-N	-1	0	277.280	0.156	20	30		CCEDRM
COC[C@@]1(C(=O)[O-])CCN(C(=O)c2ccnc(C#N)c2)C1	ZINC001593967984	956580670	/nfs/dbraw/zinc/58/06/70/956580670.db2.gz	LQKOWJSKEKQWCP-CQSZACIVSA-N	-1	0	289.291	0.517	20	30		CCEDRM
CC1(C(=O)[O-])CCN(c2cnc(C#N)c(C#N)n2)CC1	ZINC001589202578	956642928	/nfs/dbraw/zinc/64/29/28/956642928.db2.gz	YWBVHCXANZUDKB-UHFFFAOYSA-N	-1	0	271.280	0.911	20	30		CCEDRM
C[C@H](CC#N)N(C)C(=O)C(=O)Nc1cncc(C(=O)[O-])c1	ZINC001603119403	972201180	/nfs/dbraw/zinc/20/11/80/972201180.db2.gz	XWVYETIDJIJNSY-MRVPVSSYSA-N	-1	0	290.279	0.479	20	30		CCEDRM
CC1(C)C[C@]1(C(=O)[O-])C(=O)N1CCN(C2CC2)[C@H](C#N)C1	ZINC001589212266	956700661	/nfs/dbraw/zinc/70/06/61/956700661.db2.gz	IDCMMVWAABONIS-IAQYHMDHSA-N	-1	0	291.351	0.686	20	30		CCEDRM
CC1(C)CCCN([C@@H]2CCN(CC(=O)[O-])C2=O)[C@H]1C#N	ZINC001589226047	956795527	/nfs/dbraw/zinc/79/55/27/956795527.db2.gz	VPPMWAXZEQVAOH-MNOVXSKESA-N	-1	0	279.340	0.686	20	30		CCEDRM
COCC[C@H](C)CNC(=O)[C@@](C)(C#N)CC(=O)[O-]	ZINC001593989611	956822329	/nfs/dbraw/zinc/82/23/29/956822329.db2.gz	ATJKRAPUBGRRBJ-JOYOIKCWSA-N	-1	0	256.302	0.780	20	30		CCEDRM
C[C@](C#N)(CC(=O)[O-])C(=O)NC1COC(C)(C)OC1	ZINC001589240207	956875644	/nfs/dbraw/zinc/87/56/44/956875644.db2.gz	NWTXQDFPPWRWDV-GFCCVEGCSA-N	-1	0	270.285	0.259	20	30		CCEDRM
C[C@@H](NC(=O)COCC(=O)[O-])c1ccc(C#N)cc1	ZINC000041072700	957384574	/nfs/dbraw/zinc/38/45/74/957384574.db2.gz	UVUQVWWFHFNTOE-SECBINFHSA-N	-1	0	262.265	0.837	20	30		CCEDRM
CON=CC(=O)N[C@@H](C(=O)[O-])c1ccc(F)cc1	ZINC001594042551	957889427	/nfs/dbraw/zinc/88/94/27/957889427.db2.gz	QYZJXZRQHOSLEQ-SNVBAGLBSA-N	-1	0	254.217	0.700	20	30		CCEDRM
C#C[C@@H](CC)NC(=O)C(=O)Nc1cccc(CC(=O)[O-])c1	ZINC001588369785	957964979	/nfs/dbraw/zinc/96/49/79/957964979.db2.gz	WMUIHRVRDXBMAZ-NSHDSACASA-N	-1	0	288.303	0.780	20	30		CCEDRM
C#CC1(F)CN(C(=O)NCCCCCC(=O)[O-])C1	ZINC001588385340	957969677	/nfs/dbraw/zinc/96/96/77/957969677.db2.gz	DYCUGMLTRMJSNL-UHFFFAOYSA-N	-1	0	256.277	0.998	20	30		CCEDRM
C#C[C@H](NC(=O)N1C[C@H]2COC[C@@]2(C(=O)[O-])C1)C(C)C	ZINC001588386330	957976086	/nfs/dbraw/zinc/97/60/86/957976086.db2.gz	OQAWOYDCPPKMSU-MJVIPROJSA-N	-1	0	280.324	0.387	20	30		CCEDRM
C#C[C@@H](CC)NC(=O)N[C@@H]1CCCCN(CC(=O)[O-])C1=O	ZINC001588387163	957986207	/nfs/dbraw/zinc/98/62/07/957986207.db2.gz	GMIHLZANGCJNCO-WDEREUQCSA-N	-1	0	295.339	0.163	20	30		CCEDRM
C#CC[C@@H](OC(=O)[C@@H](OC)C(=O)[O-])c1ccccn1	ZINC001588388489	957994648	/nfs/dbraw/zinc/99/46/48/957994648.db2.gz	BBQJNNGYEXHNPR-MNOVXSKESA-N	-1	0	263.249	0.789	20	30		CCEDRM
C#CC[C@H](CCOC)NC(=O)[C@]1(C(=O)[O-])C[C@H]1C	ZINC001588388975	958002894	/nfs/dbraw/zinc/00/28/94/958002894.db2.gz	JIDMTKLVRUYUBD-BREBYQMCSA-N	-1	0	253.298	0.642	20	30		CCEDRM
C#CC[C@H](CO)NC(=O)NC[C@H](C(=O)[O-])C(C)C	ZINC001588389062	958004438	/nfs/dbraw/zinc/00/44/38/958004438.db2.gz	LNQKFEZKOQEXST-ZJUUUORDSA-N	-1	0	256.302	0.027	20	30		CCEDRM
C#CCC[C@@H](O)CNC(=O)NCCCCC(=O)[O-]	ZINC001588391452	958023290	/nfs/dbraw/zinc/02/32/90/958023290.db2.gz	HHXIGGXFVVIPNV-SNVBAGLBSA-N	-1	0	256.302	0.315	20	30		CCEDRM
C#CCC1(NC(=O)[C@@H](OC)C(=O)[O-])CCCCC1	ZINC001588392141	958030424	/nfs/dbraw/zinc/03/04/24/958030424.db2.gz	TVXRLGMJTZFURI-SNVBAGLBSA-N	-1	0	253.298	0.928	20	30		CCEDRM
C#CCC[C@H](O)CNC(=O)NC[C@@H](C(=O)[O-])C1CCC1	ZINC001588392380	958033656	/nfs/dbraw/zinc/03/36/56/958033656.db2.gz	YQPZHJDQRRGOBQ-NWDGAFQWSA-N	-1	0	282.340	0.561	20	30		CCEDRM
C#CCN(CC(=O)[O-])C(=O)C(=O)Nc1cccc(C)c1C	ZINC001588395525	958041942	/nfs/dbraw/zinc/04/19/42/958041942.db2.gz	NFLGHEAXINYJBP-UHFFFAOYSA-N	-1	0	288.303	0.788	20	30		CCEDRM
C#CCN(CC(=O)[O-])C(=O)[C@@H]1CCCN(C(=O)CCC)C1	ZINC001588398709	958068030	/nfs/dbraw/zinc/06/80/30/958068030.db2.gz	BSIUIEVHPSMURR-GFCCVEGCSA-N	-1	0	294.351	0.572	20	30		CCEDRM
C#CCN(CC(=O)[O-])C(=O)CCc1nccs1	ZINC001588401678	958084570	/nfs/dbraw/zinc/08/45/70/958084570.db2.gz	AKUWXDXSBCANRD-UHFFFAOYSA-N	-1	0	252.295	0.622	20	30		CCEDRM
C#CCN(CC(=O)[O-])C(=O)NC[C@@H]1CCO[C@H]1C(=C)C	ZINC001588408697	958116229	/nfs/dbraw/zinc/11/62/29/958116229.db2.gz	ZKSKNASKJWNWEX-AAEUAGOBSA-N	-1	0	280.324	0.697	20	30		CCEDRM
CC[C@H](NS(=O)(=O)c1ccc(CC#N)cc1)C(=O)[O-]	ZINC000092130689	958158372	/nfs/dbraw/zinc/15/83/72/958158372.db2.gz	QJUBCKKCYUNNOR-NSHDSACASA-N	-1	0	282.321	0.894	20	30		CCEDRM
C#CCN(CC(=O)[O-])C(=O)c1cc(C(F)F)ncn1	ZINC001588417209	958167852	/nfs/dbraw/zinc/16/78/52/958167852.db2.gz	BHSILDYXCIACLY-UHFFFAOYSA-N	-1	0	269.207	0.574	20	30		CCEDRM
C#CCN(CC(=O)[O-])C(=O)c1cnc2[nH]ccc2c1	ZINC001588418567	958182683	/nfs/dbraw/zinc/18/26/83/958182683.db2.gz	MIVLHRCFLAZEOT-UHFFFAOYSA-N	-1	0	257.249	0.675	20	30		CCEDRM
C#CCN(CC(=O)[O-])C(=O)c1scnc1COC	ZINC001588419683	958195421	/nfs/dbraw/zinc/19/54/21/958195421.db2.gz	AWZUWYSKZVRWOF-UHFFFAOYSA-N	-1	0	268.294	0.450	20	30		CCEDRM
C#CCN(CC(=O)[O-])c1nnc(-c2ncccn2)n1CC=C	ZINC001588426273	958228655	/nfs/dbraw/zinc/22/86/55/958228655.db2.gz	FBMGZKOMBSNONE-UHFFFAOYSA-N	-1	0	298.306	0.445	20	30		CCEDRM
C#CCN(CC(=O)[O-])c1nnc(-c2coc(C#N)c2)n1CC	ZINC001588426477	958229237	/nfs/dbraw/zinc/22/92/37/958229237.db2.gz	MIKZQRBWGYIWNW-UHFFFAOYSA-N	-1	0	299.290	0.954	20	30		CCEDRM
C#CCN(CC(=O)[O-])c1nnc(C2(OC)CC2)n1CC	ZINC001588426907	958235053	/nfs/dbraw/zinc/23/50/53/958235053.db2.gz	GJAIDKXRAODPAH-UHFFFAOYSA-N	-1	0	278.312	0.458	20	30		CCEDRM
C#CCN(CC(=O)[O-])c1nnc([C@@H](O)CC)n1CC1CC1	ZINC001588426898	958235140	/nfs/dbraw/zinc/23/51/40/958235140.db2.gz	FXWCXZJNHQGYEI-NSHDSACASA-N	-1	0	292.339	0.656	20	30		CCEDRM
C#CCN(CC(=O)[O-])c1nnnn1C[C@H]1CCC(C)(C)O1	ZINC001588427474	958246437	/nfs/dbraw/zinc/24/64/37/958246437.db2.gz	ZFKBVJPEESOJBC-SNVBAGLBSA-N	-1	0	293.327	0.155	20	30		CCEDRM
Cc1oc(CNC(=O)N2CCO[C@@H](C#N)C2)cc1C(=O)[O-]	ZINC000093937417	958259774	/nfs/dbraw/zinc/25/97/74/958259774.db2.gz	YAATUSDYAAKOQB-JTQLQIEISA-N	-1	0	293.279	0.720	20	30		CCEDRM
C#CCNC(=O)COC(=O)[C@H](C(=O)[O-])C1CCCC1	ZINC001588431348	958268357	/nfs/dbraw/zinc/26/83/57/958268357.db2.gz	WOSZVXDRYLGRGZ-NSHDSACASA-N	-1	0	267.281	0.170	20	30		CCEDRM
C#CCOCCC(=O)N[C@H](Cc1ccncc1)C(=O)[O-]	ZINC001588431728	958273596	/nfs/dbraw/zinc/27/35/96/958273596.db2.gz	VTBXWKBCEPSZOA-GFCCVEGCSA-N	-1	0	276.292	0.233	20	30		CCEDRM
C#CCn1ccc(CN(CCOC)[C@H](CC)C(=O)[O-])n1	ZINC001588432801	958288766	/nfs/dbraw/zinc/28/87/66/958288766.db2.gz	DVKRDNZTGCPSBW-CYBMUJFWSA-N	-1	0	279.340	0.828	20	30		CCEDRM
C=C(C)COCCNC(=O)[C@H]1CCCN(CC(=O)[O-])C1=O	ZINC001588440251	958329791	/nfs/dbraw/zinc/32/97/91/958329791.db2.gz	RIXPUXAPJLWQTN-LLVKDONJSA-N	-1	0	298.339	0.019	20	30		CCEDRM
C=C(C)C[C@@H](C)C(=O)O[C@H]1CCN(CC(=O)[O-])C1=O	ZINC001588442467	958344939	/nfs/dbraw/zinc/34/49/39/958344939.db2.gz	QXHFOPYJFFYVOI-ZJUUUORDSA-N	-1	0	269.297	0.817	20	30		CCEDRM
C=C(Cl)CNC(=O)c1cccn(CC(=O)[O-])c1=O	ZINC001588445826	958376395	/nfs/dbraw/zinc/37/63/95/958376395.db2.gz	UBNYCXOTZNYLJD-UHFFFAOYSA-N	-1	0	270.672	0.415	20	30		CCEDRM
C=CC[C@@H](CO)NC(=O)Nc1ccn(C(C)(C)C(=O)[O-])n1	ZINC001588452672	958425280	/nfs/dbraw/zinc/42/52/80/958425280.db2.gz	HDNYOOIMLQXGFZ-VIFPVBQESA-N	-1	0	296.327	0.761	20	30		CCEDRM
C=CCC[C@H](NC(=O)CCC(=O)[O-])C(=O)OCC	ZINC001588457378	958449121	/nfs/dbraw/zinc/44/91/21/958449121.db2.gz	XDNWGSHKTGFRKM-VIFPVBQESA-N	-1	0	257.286	0.865	20	30		CCEDRM
C=CCC1(C(=O)OCC(=O)NCC(=O)[O-])CCC1	ZINC001588457447	958450937	/nfs/dbraw/zinc/45/09/37/958450937.db2.gz	AEMPWKQWWHPFFL-UHFFFAOYSA-N	-1	0	255.270	0.477	20	30		CCEDRM
C#C[C@H](NC(=O)[C@H]1CCCN(CC(=O)[O-])C1=O)C(C)(C)C	ZINC001573318773	958468293	/nfs/dbraw/zinc/46/82/93/958468293.db2.gz	RQJSCPRVDBJVLD-MNOVXSKESA-N	-1	0	294.351	0.474	20	30		CCEDRM
C=CCN(CCC#N)[C@@H]1CCN(CC(=O)[O-])C1=O	ZINC001588463352	958482560	/nfs/dbraw/zinc/48/25/60/958482560.db2.gz	NNVMMFAUFMUGIU-SNVBAGLBSA-N	-1	0	251.286	0.074	20	30		CCEDRM
C#CCOCCN(C)C(=O)C(CC)(CC)C(=O)[O-]	ZINC001573327510	958489649	/nfs/dbraw/zinc/48/96/49/958489649.db2.gz	OOVRAOBLEIWFNA-UHFFFAOYSA-N	-1	0	255.314	0.986	20	30		CCEDRM
C=CCN1CC[C@@H](N(C)C(=O)[C@@]2(C(=O)[O-])CC2(C)C)C1=O	ZINC001588464289	958490186	/nfs/dbraw/zinc/49/01/86/958490186.db2.gz	NDNHDHQOKZRQDM-MEBBXXQBSA-N	-1	0	294.351	0.733	20	30		CCEDRM
C=CCN1CC[C@H](N(C)C(=O)[C@@H]2CC[C@H]2C(=O)[O-])C1=O	ZINC001588464295	958492120	/nfs/dbraw/zinc/49/21/20/958492120.db2.gz	NFVWCQLDEWVEMW-MXWKQRLJSA-N	-1	0	280.324	0.343	20	30		CCEDRM
C=CCNc1ncc(C(=O)N2CC(C(=O)[O-])C2)s1	ZINC001588465020	958494784	/nfs/dbraw/zinc/49/47/84/958494784.db2.gz	CMRYXGCDACBRNG-UHFFFAOYSA-N	-1	0	267.310	0.898	20	30		CCEDRM
C=CCNC(=O)NC(=O)[C@H](C)OC(=O)C(C)(C)C(=O)[O-]	ZINC001588465391	958501059	/nfs/dbraw/zinc/50/10/59/958501059.db2.gz	HQYPGXUOZIECDQ-ZETCQYMHSA-N	-1	0	286.284	0.041	20	30		CCEDRM
C=C(CCC(=O)OC)C(=O)N1CC[C@H](C(=O)[O-])C1	ZINC001573330084	958515191	/nfs/dbraw/zinc/51/51/91/958515191.db2.gz	UGKZARVITRMKSX-VIFPVBQESA-N	-1	0	255.270	0.429	20	30		CCEDRM
C=CCn1c([C@@H](C)CO)nnc1N1CC[C@@H](C(=O)[O-])C1	ZINC001588470864	958532556	/nfs/dbraw/zinc/53/25/56/958532556.db2.gz	WYJDGQVVWHOXFT-VHSXEESVSA-N	-1	0	280.328	0.471	20	30		CCEDRM
C=CCn1c([C@H](C)CO)nnc1N1CC[C@H](C(=O)[O-])C1	ZINC001588470865	958532755	/nfs/dbraw/zinc/53/27/55/958532755.db2.gz	WYJDGQVVWHOXFT-ZJUUUORDSA-N	-1	0	280.328	0.471	20	30		CCEDRM
C=CCn1c(N2CC[C@@H](C(=O)[O-])C2)nnc1[C@](C)(O)CC	ZINC001588472983	958548176	/nfs/dbraw/zinc/54/81/76/958548176.db2.gz	VICGQJOBFVGIQV-QMTHXVAHSA-N	-1	0	294.355	0.993	20	30		CCEDRM
C=CCn1c(C[C@@H](C)O)nnc1N1CCC(C(=O)[O-])CC1	ZINC001588473086	958550377	/nfs/dbraw/zinc/55/03/77/958550377.db2.gz	XKCSRSVNZZXHIX-SNVBAGLBSA-N	-1	0	294.355	0.688	20	30		CCEDRM
C[C@@](C#N)(CC(=O)[O-])C(=O)N[C@@H](CC#N)C(F)(F)F	ZINC001573359538	958585049	/nfs/dbraw/zinc/58/50/49/958585049.db2.gz	BULGXIHANFALOV-RCOVLWMOSA-N	-1	0	277.202	0.952	20	30		CCEDRM
C[C@@H](C(=O)N1CCCC[C@H]1C(=O)[O-])n1cnc(C#N)n1	ZINC001573362436	958597875	/nfs/dbraw/zinc/59/78/75/958597875.db2.gz	BADKDMFNSMXTBB-IUCAKERBSA-N	-1	0	277.284	0.176	20	30		CCEDRM
CC(=O)c1cc(C#N)ccc1NCC(=O)NCC(=O)[O-]	ZINC001588528086	958880942	/nfs/dbraw/zinc/88/09/42/958880942.db2.gz	PWVFTSNHLIZNGP-UHFFFAOYSA-N	-1	0	275.264	0.374	20	30		CCEDRM
C[C@H](C#N)CN(C)C(=O)[C@@H]1CO[C@H](CCC(=O)[O-])C1	ZINC001588543788	958983702	/nfs/dbraw/zinc/98/37/02/958983702.db2.gz	RUZVRVFLZZGUKV-OUAUKWLOSA-N	-1	0	268.313	0.874	20	30		CCEDRM
C#CC[C@@H](NC(=O)[C@@H](C)Oc1ccccc1C#N)C(=O)[O-]	ZINC000149905499	959030970	/nfs/dbraw/zinc/03/09/70/959030970.db2.gz	OKURQGSJRDEBSO-ZYHUDNBSSA-N	-1	0	286.287	0.918	20	30		CCEDRM
C[C@@H](C(=O)NC[C@@H](C(=O)[O-])C1CCC1)n1cnc(C#N)n1	ZINC001588554691	959046640	/nfs/dbraw/zinc/04/66/40/959046640.db2.gz	UCWDLORRAQDYJD-WCBMZHEXSA-N	-1	0	291.311	0.328	20	30		CCEDRM
C[C@](C#N)(CC(=O)[O-])C(=O)NCCOCC1CCC1	ZINC001588558472	959087666	/nfs/dbraw/zinc/08/76/66/959087666.db2.gz	WNCUKOXPAHTZBQ-CYBMUJFWSA-N	-1	0	268.313	0.924	20	30		CCEDRM
CSC[C@@](C)(C#N)NC(=O)c1cc(C(=O)[O-])nn1C	ZINC001594185559	959120359	/nfs/dbraw/zinc/12/03/59/959120359.db2.gz	KXOIUTCKPLZWKL-LLVKDONJSA-N	-1	0	282.325	0.493	20	30		CCEDRM
N#Cc1ccc(C(=O)NCc2ccc(C(=O)[O-])nc2)nc1	ZINC000159917587	959132147	/nfs/dbraw/zinc/13/21/47/959132147.db2.gz	LFUUZABLAAQLRA-UHFFFAOYSA-N	-1	0	282.259	0.976	20	30		CCEDRM
C#CC[C@@H](NS(=O)(=O)N(C)C1CCCCC1)C(=O)[O-]	ZINC000161251855	959177949	/nfs/dbraw/zinc/17/79/49/959177949.db2.gz	SUJWILOAOHRTQS-LLVKDONJSA-N	-1	0	288.369	0.562	20	30		CCEDRM
C[C@@H](C(=O)[O-])C(=O)Nc1ccc(F)c(C#N)c1N	ZINC001588575211	959215181	/nfs/dbraw/zinc/21/51/81/959215181.db2.gz	HSISQQFFLLYXBN-RXMQYKEDSA-N	-1	0	251.217	0.939	20	30		CCEDRM
C#CCN(CC1CC1)S(=O)(=O)c1n[nH]cc1C(=O)[O-]	ZINC000164444386	959256653	/nfs/dbraw/zinc/25/66/53/959256653.db2.gz	ZQKHLEFEOUURJS-UHFFFAOYSA-N	-1	0	283.309	0.142	20	30		CCEDRM
C[C@H](C(=O)N([C@@H](C)C(=O)[O-])C1CC1)n1cnc(C#N)n1	ZINC001588582505	959270652	/nfs/dbraw/zinc/27/06/52/959270652.db2.gz	KYBDIBVYLWUSPZ-SFYZADRCSA-N	-1	0	277.284	0.175	20	30		CCEDRM
COC[C@H](NC(=O)c1ccc(C#N)c(C)n1)C(=O)[O-]	ZINC000167373499	959345192	/nfs/dbraw/zinc/34/51/92/959345192.db2.gz	GRWHYNDAOXWYBW-JTQLQIEISA-N	-1	0	263.253	0.091	20	30		CCEDRM
C[C@@H](NC(=O)[C@@](C)(C#N)CC(=O)[O-])c1csnn1	ZINC001573611758	959487469	/nfs/dbraw/zinc/48/74/69/959487469.db2.gz	ZTTRFSRVECJCQA-LHLIQPBNSA-N	-1	0	268.298	0.720	20	30		CCEDRM
CC(C)(C)[C@@H](C(=O)[O-])C(=O)OCC(=O)NC1(C#N)CCC1	ZINC001588640662	959688019	/nfs/dbraw/zinc/68/80/19/959688019.db2.gz	LDALCPHTDAEGQG-JTQLQIEISA-N	-1	0	296.323	0.839	20	30		CCEDRM
C[C@H]1CCN(c2cnc(C#N)c(C#N)n2)C[C@@H]1C(=O)[O-]	ZINC001573737370	960455291	/nfs/dbraw/zinc/45/52/91/960455291.db2.gz	QAEYTBCPEQRXJO-IUCAKERBSA-N	-1	0	271.280	0.767	20	30		CCEDRM
N#Cc1c[n-]n2c1nc(C[NH2+][C@H](C(=O)[O-])C1CC1)cc2=O	ZINC001571029456	960460632	/nfs/dbraw/zinc/46/06/32/960460632.db2.gz	NJNJYSZGECNQLC-NSHDSACASA-N	-1	0	287.279	0.259	20	30		CCEDRM
N#CC[C@@H](C(=O)N1CCO[C@@H](C(=O)[O-])C1)c1ccccc1	ZINC001574241500	960465919	/nfs/dbraw/zinc/46/59/19/960465919.db2.gz	MTBXXKKUZBKQGC-CHWSQXEVSA-N	-1	0	288.303	0.996	20	30		CCEDRM
C[C@@H]1CN(C[C@@H](O)c2ccc(C#N)cc2)C[C@@H](C(=O)[O-])O1	ZINC001571037873	960545977	/nfs/dbraw/zinc/54/59/77/960545977.db2.gz	CDVYRCVRIAMGPB-HONMWMINSA-N	-1	0	290.319	0.766	20	30		CCEDRM
Cc1cnn(CCC(=O)N2CCC(C#N)(C(=O)[O-])CC2)c1	ZINC001571038584	960551409	/nfs/dbraw/zinc/55/14/09/960551409.db2.gz	MFACTNCPCGUUEN-UHFFFAOYSA-N	-1	0	290.323	0.799	20	30		CCEDRM
N#Cc1c(N)sc2c1CCN(C(=O)[C@H]1C[C@H]1C(=O)[O-])C2	ZINC001571040713	960568481	/nfs/dbraw/zinc/56/84/81/960568481.db2.gz	NJFHJQFNKCBRAH-JGVFFNPUSA-N	-1	0	291.332	0.807	20	30		CCEDRM
Cc1cc(NC(=O)N2CCC(C#N)(C(=O)[O-])CC2)n(C)n1	ZINC001571040981	960572466	/nfs/dbraw/zinc/57/24/66/960572466.db2.gz	USARDKGXKKYWME-UHFFFAOYSA-N	-1	0	291.311	0.951	20	30		CCEDRM
N#Cc1ncccc1S(=O)(=O)N[C@H](CC(=O)[O-])C1CC1	ZINC000236423761	960577579	/nfs/dbraw/zinc/57/75/79/960577579.db2.gz	QXVPJDRUZOQPDR-SECBINFHSA-N	-1	0	295.320	0.485	20	30		CCEDRM
CC[C@H](CNC(=O)NCc1ccc(C#N)cn1)C(=O)[O-]	ZINC001573798234	960795283	/nfs/dbraw/zinc/79/52/83/960795283.db2.gz	UALNKAJHTRABJF-SNVBAGLBSA-N	-1	0	276.296	0.863	20	30		CCEDRM
CC(C)[C@@](C)(C#N)NC(=O)c1cn(CC(=O)[O-])nn1	ZINC001588812767	961533143	/nfs/dbraw/zinc/53/31/43/961533143.db2.gz	PPTKFZYMDYQVBN-LLVKDONJSA-N	-1	0	265.273	0.031	20	30		CCEDRM
Cn1cnc(CCNC(=O)[C@](C)(C#N)CC(=O)[O-])c1	ZINC001574462624	961548843	/nfs/dbraw/zinc/54/88/43/961548843.db2.gz	FQOKIBNWOCIERO-LBPRGKRZSA-N	-1	0	264.285	0.083	20	30		CCEDRM
Cn1nc(C(=O)[O-])cc1C(=O)Nc1ccncc1C#N	ZINC001574466791	961574563	/nfs/dbraw/zinc/57/45/63/961574563.db2.gz	GJESBDPTJJGTAH-UHFFFAOYSA-N	-1	0	271.236	0.637	20	30		CCEDRM
N#Cc1cc(C(=O)NCC2(C(=O)[O-])CCOCC2)co1	ZINC001574479147	961646714	/nfs/dbraw/zinc/64/67/14/961646714.db2.gz	FDWSKTDGXVLUDC-UHFFFAOYSA-N	-1	0	278.264	0.762	20	30		CCEDRM
N#Cc1ccc(F)cc1N1CCO[C@@H](C(=O)[O-])C1	ZINC001574487937	961691603	/nfs/dbraw/zinc/69/16/03/961691603.db2.gz	KOYZRGFAUXODDR-LLVKDONJSA-N	-1	0	250.229	0.987	20	30		CCEDRM
N#Cc1cccc(OCC(=O)Nc2n[nH]cc2C(=O)[O-])c1	ZINC001574490288	961713483	/nfs/dbraw/zinc/71/34/83/961713483.db2.gz	ZYFJUQDEVPKJBH-UHFFFAOYSA-N	-1	0	286.247	0.997	20	30		CCEDRM
CN(Cc1cccc(=O)[nH]1)C(=O)[C@](C)(C#N)CC(=O)[O-]	ZINC001574019910	961955277	/nfs/dbraw/zinc/95/52/77/961955277.db2.gz	NTFVVZAMIAFQPJ-ZDUSSCGKSA-N	-1	0	277.280	0.750	20	30		CCEDRM
COC[C@](C)(C#N)NC(=O)[C@H]1CC[C@@H](C(=O)[O-])C1	ZINC001574120394	962494118	/nfs/dbraw/zinc/49/41/18/962494118.db2.gz	WUILNUGVTHZVFJ-SBMIAAHKSA-N	-1	0	254.286	0.532	20	30		CCEDRM
C#CC[C@@H](CCOC)NC(=O)CC[C@@H]1C[C@H](C(=O)[O-])CO1	ZINC001573301777	962635920	/nfs/dbraw/zinc/63/59/20/962635920.db2.gz	FGLXIADODQHRAM-RWMBFGLXSA-N	-1	0	297.351	0.801	20	30		CCEDRM
C#CC[C@@H]1CCCN(S(=O)(=O)c2n[nH]cc2C(=O)[O-])C1	ZINC001573302391	962651096	/nfs/dbraw/zinc/65/10/96/962651096.db2.gz	BDGZFDPVZFMJJD-SECBINFHSA-N	-1	0	297.336	0.532	20	30		CCEDRM
C#C[C@@H](NC(=O)c1cc(C(=O)[O-])on1)[C@H]1CCCO1	ZINC001573302540	962655087	/nfs/dbraw/zinc/65/50/87/962655087.db2.gz	NYKZMJOTLKMOTR-VXNVDRBHSA-N	-1	0	264.237	0.283	20	30		CCEDRM
C#CCCCCC(=O)N(C)CCNC(=O)[C@H]1C[C@@H]1C(=O)[O-]	ZINC001573303347	962675184	/nfs/dbraw/zinc/67/51/84/962675184.db2.gz	NGUQHOPUAVVAQB-RYUDHWBXSA-N	-1	0	294.351	0.475	20	30		CCEDRM
C#C[C@@H](C)N(C)S(=O)(=O)c1n[nH]c(C)c1C(=O)[O-]	ZINC001573303544	962678707	/nfs/dbraw/zinc/67/87/07/962678707.db2.gz	ZGYHTRADYGJKAH-ZCFIWIBFSA-N	-1	0	271.298	0.059	20	30		CCEDRM
C#CC[C@H](NC(=O)c1cccc(-c2nc[nH]n2)c1)C(=O)[O-]	ZINC001573303813	962681166	/nfs/dbraw/zinc/68/11/66/962681166.db2.gz	TWDNNTLCNNUZQI-NSHDSACASA-N	-1	0	284.275	0.678	20	30		CCEDRM
C=C(C)C[C@@H](NC(C)=O)C(=O)NC[C@@]1(C(=O)[O-])CCOC1	ZINC001573323418	962773043	/nfs/dbraw/zinc/77/30/43/962773043.db2.gz	BIYHKYGCPAERGG-RISCZKNCSA-N	-1	0	298.339	0.065	20	30		CCEDRM
C=C(C)CCC(=O)NC[C@@H]1CCN(C(=O)CNC(=O)[O-])C1	ZINC001573323966	962777975	/nfs/dbraw/zinc/77/79/75/962777975.db2.gz	KELVRXUXEFKPAK-NSHDSACASA-N	-1	0	297.355	0.575	20	30		CCEDRM
C=C(C)[C@@H]1OCC[C@@H]1C(=O)NC[C@]1(C(=O)[O-])CCOC1	ZINC001573325987	962800727	/nfs/dbraw/zinc/80/07/27/962800727.db2.gz	QBQCHLPXOCETLV-COPLHBTASA-N	-1	0	283.324	0.575	20	30		CCEDRM
C=C(CCC(=O)[O-])C(=O)Nc1n[nH]c(SC)n1	ZINC001573338940	962883098	/nfs/dbraw/zinc/88/30/98/962883098.db2.gz	KYMSMRWNQGRHKE-UHFFFAOYSA-N	-1	0	256.287	0.886	20	30		CCEDRM
C=C[C@@](C)(CC)C(=O)N(C)[C@@H](C)CNC(=O)CNC(=O)[O-]	ZINC001573347069	962945256	/nfs/dbraw/zinc/94/52/56/962945256.db2.gz	IQDKOYBTYFDHCF-HZMBPMFUSA-N	-1	0	299.371	0.819	20	30		CCEDRM
C=CC[C@H](CO)CNC(=O)NC[C@@H](CC(=O)[O-])C1CC1	ZINC001573350635	962971180	/nfs/dbraw/zinc/97/11/80/962971180.db2.gz	KXUZKYXKSDTBES-CMPLNLGQSA-N	-1	0	284.356	0.971	20	30		CCEDRM
C=CCCC(=O)N[C@H]1CCCN(C(=O)CNC(=O)[O-])CC1	ZINC001573353176	962998017	/nfs/dbraw/zinc/99/80/17/962998017.db2.gz	QOICWLWHLWJZGR-NSHDSACASA-N	-1	0	297.355	0.718	20	30		CCEDRM
C=CCCC[C@H](NC(=O)[C@H]1CC[C@@H](C(N)=O)C1)C(=O)[O-]	ZINC001573356464	963008196	/nfs/dbraw/zinc/00/81/96/963008196.db2.gz	BWAYWOFQMNLKGS-VWYCJHECSA-N	-1	0	282.340	0.814	20	30		CCEDRM
C=CCN(CC(=O)OCC)C(=O)CCSCC(=O)[O-]	ZINC001573359948	963029769	/nfs/dbraw/zinc/02/97/69/963029769.db2.gz	BKAKKAKPHUTMEU-UHFFFAOYSA-N	-1	0	289.353	0.772	20	30		CCEDRM
C=C[C@@H]1OCC[C@H]1C(=O)N(C)[C@@H](COC(C)C)C(=O)[O-]	ZINC001573379500	963108048	/nfs/dbraw/zinc/10/80/48/963108048.db2.gz	LASDDKJSOQPBFK-WOPDTQHZSA-N	-1	0	285.340	0.914	20	30		CCEDRM
N#C[C@@H]1COCCN1C(=O)[C@H]1CCCC[C@H]1C(=O)[O-]	ZINC001570987640	963127095	/nfs/dbraw/zinc/12/70/95/963127095.db2.gz	UKNMOEAFVMTPRN-OUAUKWLOSA-N	-1	0	266.297	0.628	20	30		CCEDRM
C=CCCN(C)S(=O)(=O)c1cnn(CC(=O)[O-])c1	ZINC000305995069	963173529	/nfs/dbraw/zinc/17/35/29/963173529.db2.gz	HTLCSANVIYITSH-UHFFFAOYSA-N	-1	0	273.314	0.164	20	30		CCEDRM
Cn1cc(NC(=O)N2CCC(C#N)(C(=O)[O-])CC2)cn1	ZINC001571006329	963253881	/nfs/dbraw/zinc/25/38/81/963253881.db2.gz	YZXFYCPEOLWJAA-UHFFFAOYSA-N	-1	0	277.284	0.642	20	30		CCEDRM
Cc1nn(CCC#N)c(C)c1OC(=O)CCNC(=O)[O-]	ZINC001571013285	963295418	/nfs/dbraw/zinc/29/54/18/963295418.db2.gz	FVRXFAMVBGCBRB-UHFFFAOYSA-N	-1	0	280.284	0.977	20	30		CCEDRM
CC[C@@H](COC)NC(=O)N1CCC(C#N)(C(=O)[O-])CC1	ZINC001571024514	963358360	/nfs/dbraw/zinc/35/83/60/963358360.db2.gz	GFGSQYFSWKZSJV-JTQLQIEISA-N	-1	0	283.328	0.811	20	30		CCEDRM
Cc1nc(NCC(=O)NCC(=O)[O-])c(Cl)cc1C#N	ZINC000311724434	963507353	/nfs/dbraw/zinc/50/73/53/963507353.db2.gz	PXEMREAMLNYMCJ-UHFFFAOYSA-N	-1	0	282.687	0.528	20	30		CCEDRM
C=C(C)Cn1c(N2CC[C@@H](C(=O)[O-])C2)nnc1C(C)(C)O	ZINC001588441906	964054925	/nfs/dbraw/zinc/05/49/25/964054925.db2.gz	GDKLRUCDBRTJIO-SNVBAGLBSA-N	-1	0	294.355	0.993	20	30		CCEDRM
C=C(C)C[C@H](NC(C)=O)C(=O)N(C)C[C@@H](C)C(=O)[O-]	ZINC001588443151	964060121	/nfs/dbraw/zinc/06/01/21/964060121.db2.gz	YKVLJTDVKKZETC-KOLCDFICSA-N	-1	0	270.329	0.636	20	30		CCEDRM
C#CCCCS(=O)(=O)N(C)[C@@H](COC(C)C)C(=O)[O-]	ZINC001588446369	964072978	/nfs/dbraw/zinc/07/29/78/964072978.db2.gz	FXVBPBFIIGXNPQ-NSHDSACASA-N	-1	0	291.369	0.540	20	30		CCEDRM
Cc1nc(C(=O)N2CCO[C@@H](C(=O)[O-])C2)ccc1C#N	ZINC000049871587	967533171	/nfs/dbraw/zinc/53/31/71/967533171.db2.gz	KLDNZUGLGPNMLM-LLVKDONJSA-N	-1	0	275.264	0.187	20	30		CCEDRM
CN(CC(=O)[O-])S(=O)(=O)c1ccc(CC#N)cc1	ZINC000092130604	967592916	/nfs/dbraw/zinc/59/29/16/967592916.db2.gz	FNBQJFDDXIMYEE-UHFFFAOYSA-N	-1	0	268.294	0.458	20	30		CCEDRM
C#CCN(CC(=O)[O-])C(=O)NCCSCC=C	ZINC000231957557	967739593	/nfs/dbraw/zinc/73/95/93/967739593.db2.gz	FIMXQXKTHZDDOB-UHFFFAOYSA-N	-1	0	256.327	0.635	20	30		CCEDRM
COCC#CC(=O)NC1(C(=O)[O-])CCCCCC1	ZINC001593951323	970163742	/nfs/dbraw/zinc/16/37/42/970163742.db2.gz	MYGZKGDYJBTWMR-UHFFFAOYSA-N	-1	0	253.298	0.930	20	30		CCEDRM
C[C@@](C#N)(CC(=O)[O-])C(=O)N1CC[C@H](n2cncn2)C1	ZINC001609691374	970447742	/nfs/dbraw/zinc/44/77/42/970447742.db2.gz	LLBBSHFNSYNFJZ-CABZTGNLSA-N	-1	0	277.284	0.056	20	30		CCEDRM
C[C@@](C#N)(CC(=O)[O-])C(=O)NCc1ncccc1O	ZINC001609693068	970453815	/nfs/dbraw/zinc/45/38/15/970453815.db2.gz	SMETYWYAKFGNJK-LBPRGKRZSA-N	-1	0	263.253	0.408	20	30		CCEDRM
C[C@@](O)(CNC(=O)c1ccc(C2(C#N)CC2)cc1)C(=O)[O-]	ZINC001609784755	970526750	/nfs/dbraw/zinc/52/67/50/970526750.db2.gz	FDVXFWFMODZBOB-CQSZACIVSA-N	-1	0	288.303	0.807	20	30		CCEDRM
CN(CCC(=O)[O-])C(=O)C(=O)N1CCC[C@H](CC#N)C1	ZINC001604134480	972547198	/nfs/dbraw/zinc/54/71/98/972547198.db2.gz	ZJTFTHWBBLDSCK-SNVBAGLBSA-N	-1	0	281.312	0.072	20	30		CCEDRM
Cc1cc(NC(=O)C(=O)N(C)CCC(=O)[O-])ncc1C#N	ZINC001605194346	972919654	/nfs/dbraw/zinc/91/96/54/972919654.db2.gz	CKXMLCXPFJIYPJ-UHFFFAOYSA-N	-1	0	290.279	0.133	20	30		CCEDRM
N#CCc1ccc(CN2CCNC(=O)[C@H]2CC(=O)[O-])cc1	ZINC000399035499	973188598	/nfs/dbraw/zinc/18/85/98/973188598.db2.gz	NXKGNQCMYZGIDE-CYBMUJFWSA-N	-1	0	287.319	0.528	20	30		CCEDRM
N#Cc1sc(N2C[C@@H](O)C[C@H](C(=O)[O-])C2)nc1Cl	ZINC000401966161	973572316	/nfs/dbraw/zinc/57/23/16/973572316.db2.gz	FJQVXAIZCSUCOV-WDSKDSINSA-N	-1	0	287.728	0.940	20	30		CCEDRM
COCC1=CCN(C(=O)[C@@](C)(C#N)CC(=O)[O-])CC1	ZINC001604567383	973644983	/nfs/dbraw/zinc/64/49/83/973644983.db2.gz	OAZXVYTYMIHDJZ-CYBMUJFWSA-N	-1	0	266.297	0.796	20	30		CCEDRM
N#CC[C@@]1(O)CCN(C(=O)C2(CC(=O)[O-])CCC2)C1	ZINC001605581605	973858447	/nfs/dbraw/zinc/85/84/47/973858447.db2.gz	DECFWZXNTGGPFC-CYBMUJFWSA-N	-1	0	266.297	0.508	20	30		CCEDRM
N#CCC1(COC(=O)c2ccc(C(=O)[O-])cn2)COC1	ZINC001605581632	973859250	/nfs/dbraw/zinc/85/92/50/973859250.db2.gz	FPOIZEGDQZFOJC-UHFFFAOYSA-N	-1	0	276.248	0.867	20	30		CCEDRM
N#CC1(NC(=O)[C@@H]2CO[C@@H](CCC(=O)[O-])C2)CCOCC1	ZINC001605583649	973874931	/nfs/dbraw/zinc/87/49/31/973874931.db2.gz	XMZVRKUVPCPUPL-QWRGUYRKSA-N	-1	0	296.323	0.445	20	30		CCEDRM
CCO[C@H]1CCN(C(=O)[C@](C)(C#N)CC(=O)[O-])C1	ZINC001603850316	974354671	/nfs/dbraw/zinc/35/46/71/974354671.db2.gz	XENBTEYANBNFTE-CABZTGNLSA-N	-1	0	254.286	0.628	20	30		CCEDRM
CN(C(=O)c1cnc(C(=O)[O-])cn1)[C@@H]1CCC[C@@H]1C#N	ZINC001604041653	974571192	/nfs/dbraw/zinc/57/11/92/974571192.db2.gz	UNNWAUXVRUNVJN-LDYMZIIASA-N	-1	0	274.280	0.939	20	30		CCEDRM
C[C@@H](/C=C/C(=O)[O-])NC(=O)c1cccc(C#CCO)c1	ZINC001592206725	977245470	/nfs/dbraw/zinc/24/54/70/977245470.db2.gz	VMXXZXBZWKCAKZ-AEZGRPFRSA-N	-1	0	273.288	0.790	20	30		CCEDRM
C[C@H](CC#N)C(=O)N[C@H](CCC1OCCO1)C(=O)[O-]	ZINC001592210865	977257809	/nfs/dbraw/zinc/25/78/09/977257809.db2.gz	HKMWPDBSZCVKOL-RKDXNWHRSA-N	-1	0	270.285	0.259	20	30		CCEDRM
C[C@@H](CC#N)C(=O)O[C@@H]1COC[C@H]1n1cc(C(=O)[O-])nn1	ZINC001592221578	977400596	/nfs/dbraw/zinc/40/05/96/977400596.db2.gz	KXZJRVLUYGXHDK-FXBDTBDDSA-N	-1	0	294.267	0.009	20	30		CCEDRM
C[C@H](CC(=O)[O-])CC(=O)N[C@@](C)(C#N)CN(C)C	ZINC001592375691	977911936	/nfs/dbraw/zinc/91/19/36/977911936.db2.gz	SJMSFYZELOUCMB-CABZTGNLSA-N	-1	0	255.318	0.447	20	30		CCEDRM
CC[C@H](CC#N)NS(=O)(=O)CC(C)(C)C(=O)[O-]	ZINC001595030815	979170064	/nfs/dbraw/zinc/17/00/64/979170064.db2.gz	WQLDCDOBYNGHSZ-MRVPVSSYSA-N	-1	0	262.331	0.709	20	30		CCEDRM
C[C@@](CO)(NC(=O)C(=O)/C=C/c1ccc(F)cc1)C(=O)[O-]	ZINC001592734528	979262512	/nfs/dbraw/zinc/26/25/12/979262512.db2.gz	XKCGLNGRRHUTJH-GBXSZLQWSA-N	-1	0	295.266	0.360	20	30		CCEDRM
CC[C@H](C(=O)[O-])C(=O)O[C@@H](C)C(=O)N(C)CCC#N	ZINC001594766504	981722264	/nfs/dbraw/zinc/72/22/64/981722264.db2.gz	XNFHITDEPSPSAH-DTWKUNHWSA-N	-1	0	270.285	0.401	20	30		CCEDRM
CCCC[C@@H](NC(=O)[C@H](C)n1cnc(C#N)n1)C(=O)[O-]	ZINC001595634596	981890487	/nfs/dbraw/zinc/89/04/87/981890487.db2.gz	QQSMTQPHRKFKJB-DTWKUNHWSA-N	-1	0	279.300	0.470	20	30		CCEDRM
CC[C@H](C)[C@@H](NC(=O)COC(=O)[C@@H](C)CC#N)C(=O)[O-]	ZINC001594898457	982348834	/nfs/dbraw/zinc/34/88/34/982348834.db2.gz	XJPYKDSASCYOQR-ATZCPNFKSA-N	-1	0	284.312	0.695	20	30		CCEDRM
CC[C@@H](C)C[C@H](NC(=O)Cn1cnc(C#N)n1)C(=O)[O-]	ZINC001573674396	983081079	/nfs/dbraw/zinc/08/10/79/983081079.db2.gz	WDWBRMADOJNAEB-BDAKNGLRSA-N	-1	0	279.300	0.155	20	30		CCEDRM
C#CC(=O)N[C@H]1CCSC2(CC(C(=O)[O-])C2)C1	ZINC001588367536	983300186	/nfs/dbraw/zinc/30/01/86/983300186.db2.gz	XZKGSDVUFKYBFF-XEVUQIKYSA-N	-1	0	253.323	0.865	20	30		CCEDRM
C#C[C@H](NC(=O)NCc1ccc(C(=O)[O-])o1)[C@@H]1CCCO1	ZINC001588373200	983337234	/nfs/dbraw/zinc/33/72/34/983337234.db2.gz	BJVJQTSJNLRKEI-QWRGUYRKSA-N	-1	0	292.291	0.958	20	30		CCEDRM
C#CC1(O)CCN(C(=O)c2cncc(C(=O)[O-])c2)CC1	ZINC001588379662	983365151	/nfs/dbraw/zinc/36/51/51/983365151.db2.gz	ONGOUTAAZLIZNS-UHFFFAOYSA-N	-1	0	274.276	0.380	20	30		CCEDRM
C#C[C@@H]1CCCCN1C(=O)CN1CCC[C@@H](C(=O)[O-])C1=O	ZINC001588382171	983369377	/nfs/dbraw/zinc/36/93/77/983369377.db2.gz	IGZIXFKZTBINOF-VXGBXAGGSA-N	-1	0	292.335	0.324	20	30		CCEDRM
C#C[C@H]1CCCN(S(=O)(=O)C[C@@H](C)C(=O)[O-])C1	ZINC001588383247	983379260	/nfs/dbraw/zinc/37/92/60/983379260.db2.gz	QKRKNEXVFOLZPW-ZJUUUORDSA-N	-1	0	259.327	0.382	20	30		CCEDRM
C#CC[C@@H](NC(=O)C(=O)c1ccc2c(c1)CCC2)C(=O)[O-]	ZINC001588393622	983399232	/nfs/dbraw/zinc/39/92/32/983399232.db2.gz	CUWLSWPLJCWTLJ-CYBMUJFWSA-N	-1	0	285.299	0.951	20	30		CCEDRM
C#CC[C@H](COC)Nc1cc(C)nc2nc(C(=O)[O-])nn21	ZINC001588393934	983400707	/nfs/dbraw/zinc/40/07/07/983400707.db2.gz	GRWALHXAQIDPTO-SECBINFHSA-N	-1	0	289.295	0.581	20	30		CCEDRM
C#CC[C@H](COC)NC(=O)Nc1cc(C(=O)[O-])ccn1	ZINC001588394517	983402787	/nfs/dbraw/zinc/40/27/87/983402787.db2.gz	LZMRDWDGDHNBNX-SNVBAGLBSA-N	-1	0	277.280	0.940	20	30		CCEDRM
C#CC[C@@H](NC(=O)C(C)(C)C(=O)OCC)C(=O)[O-]	ZINC001588394688	983403427	/nfs/dbraw/zinc/40/34/27/983403427.db2.gz	NJUSDGRQXKKJJR-MRVPVSSYSA-N	-1	0	255.270	0.168	20	30		CCEDRM
C#CC[C@H](COC)NC(=O)CC[C@@H]1C[C@H](C(=O)[O-])CO1	ZINC001588396326	983407784	/nfs/dbraw/zinc/40/77/84/983407784.db2.gz	VUONZYSXBULIRX-QJPTWQEYSA-N	-1	0	283.324	0.411	20	30		CCEDRM
C#CC[C@H](NC(=O)C12CCC(C(=O)[O-])(CC1)C2)C(=O)OC	ZINC001588399184	983415305	/nfs/dbraw/zinc/41/53/05/983415305.db2.gz	RMDANKNENNJFLE-ISAOAKOHSA-N	-1	0	293.319	0.703	20	30		CCEDRM
C#CC[C@@H](NC(=O)C1=C[S@](=O)CCC1)C(=O)[O-]	ZINC001588399542	983415770	/nfs/dbraw/zinc/41/57/70/983415770.db2.gz	VJEWNPHDPLMFKF-VVVCHXIZSA-N	-1	0	255.295	0.006	20	30		CCEDRM
C#CC[C@H](NC(=O)CCC(=O)c1ccccn1)C(=O)[O-]	ZINC001588404835	983418951	/nfs/dbraw/zinc/41/89/51/983418951.db2.gz	AQOAKBWSPITCFD-NSHDSACASA-N	-1	0	274.276	0.637	20	30		CCEDRM
C#CC[C@H](NC(=O)CCc1cncs1)C(=O)[O-]	ZINC001588405062	983420319	/nfs/dbraw/zinc/42/03/19/983420319.db2.gz	KMBDLPZZBAQIIK-VIFPVBQESA-N	-1	0	252.295	0.668	20	30		CCEDRM
C#CC[C@H](NC(=O)C[C@@H]1OC(=O)c2ccccc21)C(=O)[O-]	ZINC001588405374	983421320	/nfs/dbraw/zinc/42/13/20/983421320.db2.gz	GWQWFIBXTOMZDU-RYUDHWBXSA-N	-1	0	287.271	0.881	20	30		CCEDRM
C#CC[C@@H](NC(=O)C[C@@H]1NC(=O)c2ccccc21)C(=O)[O-]	ZINC001588405978	983423269	/nfs/dbraw/zinc/42/32/69/983423269.db2.gz	LCDKEQWLWIMZEQ-NEPJUHHUSA-N	-1	0	286.287	0.454	20	30		CCEDRM
C#CC[C@H](NC(=O)[C@H]1CCC[C@H](OC)C1)C(=O)[O-]	ZINC001588406463	983425473	/nfs/dbraw/zinc/42/54/73/983425473.db2.gz	QRYMZUFTXSJXSM-DCAQKATOSA-N	-1	0	253.298	0.784	20	30		CCEDRM
C#CC[C@H](NC(=O)Cc1n[nH]c2ccccc12)C(=O)[O-]	ZINC001588407251	983427525	/nfs/dbraw/zinc/42/75/25/983427525.db2.gz	FPPUBYJTPWSZQD-NSHDSACASA-N	-1	0	271.276	0.698	20	30		CCEDRM
C#CC[C@H](NC(=O)Cc1sc(=S)[nH]c1C)C(=O)[O-]	ZINC001588408091	983430728	/nfs/dbraw/zinc/43/07/28/983430728.db2.gz	XIFNFFXGWSERNQ-ZETCQYMHSA-N	-1	0	284.362	0.875	20	30		CCEDRM
C#CC[C@H](NC(=O)c1cc(C)cc(C(=O)[O-])c1)C(=O)OC	ZINC001588414264	983433297	/nfs/dbraw/zinc/43/32/97/983433297.db2.gz	PZQSTKUYZRVHPK-LBPRGKRZSA-N	-1	0	289.287	0.988	20	30		CCEDRM
C#CC[C@H](NC(=O)c1nccn2cc(C)nc12)C(=O)[O-]	ZINC001588422092	983444371	/nfs/dbraw/zinc/44/43/71/983444371.db2.gz	SDXAFHUIILJHGZ-VIFPVBQESA-N	-1	0	272.264	0.244	20	30		CCEDRM
C#CC[C@H](NC(=O)c1ncc(F)cc1F)C(=O)[O-]	ZINC001588422395	983446258	/nfs/dbraw/zinc/44/62/58/983446258.db2.gz	XGJPJWQVAVVEIQ-QMMMGPOBSA-N	-1	0	254.192	0.566	20	30		CCEDRM
C#CC[C@H](OC(=O)CN1CCC[C@H](C(=O)[O-])C1=O)C1CC1	ZINC001588428448	983461691	/nfs/dbraw/zinc/46/16/91/983461691.db2.gz	OOOTWJNQEMQDGO-RYUDHWBXSA-N	-1	0	293.319	0.655	20	30		CCEDRM
C#CCC1(O)CCN(C(=O)c2cc(C(=O)[O-])no2)CC1	ZINC001588430716	983463726	/nfs/dbraw/zinc/46/37/26/983463726.db2.gz	CDAIZFJHWCNEGK-UHFFFAOYSA-N	-1	0	278.264	0.363	20	30		CCEDRM
C#CCC1(O)CCN(C(=O)c2ccc(C(=O)[O-])cn2)CC1	ZINC001588431551	983465258	/nfs/dbraw/zinc/46/52/58/983465258.db2.gz	KXQJDDSUTAKOJK-UHFFFAOYSA-N	-1	0	288.303	0.770	20	30		CCEDRM
C#CC[C@H]1CCCN(C(=O)C(=O)N2CC[C@@H](C(=O)[O-])C2)C1	ZINC001588431993	983466704	/nfs/dbraw/zinc/46/67/04/983466704.db2.gz	UNNKBDRUXIJRBS-NWDGAFQWSA-N	-1	0	292.335	0.181	20	30		CCEDRM
C#CCC[C@H](O)CNC(=O)c1ccsc1CC(=O)[O-]	ZINC001588435260	983475447	/nfs/dbraw/zinc/47/54/47/983475447.db2.gz	IPABARMWKIWWBE-VIFPVBQESA-N	-1	0	281.333	0.879	20	30		CCEDRM
C#CCN(C(=O)Cn1ccc(C(=O)[O-])n1)c1nccs1	ZINC001588459588	983484795	/nfs/dbraw/zinc/48/47/95/983484795.db2.gz	DBTCVLPFWUHWGM-UHFFFAOYSA-N	-1	0	290.304	0.704	20	30		CCEDRM
C#CCN(C(=O)Nc1cc(C(=O)[O-])nn1C)C1CC1	ZINC001588459821	983486444	/nfs/dbraw/zinc/48/64/44/983486444.db2.gz	LFHCXMBPRXNNFJ-UHFFFAOYSA-N	-1	0	262.269	0.748	20	30		CCEDRM
C#CCN(CC#CC)C(=O)C(=O)NCC(C)(C)CC(=O)[O-]	ZINC001588464660	983493873	/nfs/dbraw/zinc/49/38/73/983493873.db2.gz	BMRHIZATHFVOEE-UHFFFAOYSA-N	-1	0	292.335	0.089	20	30		CCEDRM
C#CCN(CC)CC(=O)Nc1cccc(C(=O)[O-])n1	ZINC001588468216	983500475	/nfs/dbraw/zinc/50/04/75/983500475.db2.gz	RVCAHYCAPKOJIF-UHFFFAOYSA-N	-1	0	261.281	0.673	20	30		CCEDRM
C#CCOCCC(=O)N[C@H]1CCOC2(CC(C(=O)[O-])C2)C1	ZINC001588489687	983528615	/nfs/dbraw/zinc/52/86/15/983528615.db2.gz	JHZJXUNHHMSJJO-AVERBVTBSA-N	-1	0	295.335	0.555	20	30		CCEDRM
C#CCO[C@@H](C)C(=O)OCC(=O)C1(C(=O)[O-])CC1	ZINC001588489767	983529076	/nfs/dbraw/zinc/52/90/76/983529076.db2.gz	CJQQDMSKVJMOIW-QMMMGPOBSA-N	-1	0	254.238	0.002	20	30		CCEDRM
C#CCO[C@H](C)C(=O)NCc1ccnc(C(=O)[O-])c1	ZINC001588490557	983533136	/nfs/dbraw/zinc/53/31/36/983533136.db2.gz	PNGJNSGDDVYITE-SECBINFHSA-N	-1	0	262.265	0.434	20	30		CCEDRM
C#CCO[C@H](C)C(=O)N1CC[C@@]2(C(=O)[O-])CCC[C@@H]12	ZINC001588490721	983533784	/nfs/dbraw/zinc/53/37/84/983533784.db2.gz	WROZVUUNWUYSTH-GYSYKLTISA-N	-1	0	265.309	0.881	20	30		CCEDRM
C#CCOCCN(C)S(=O)(=O)CC1(C(=O)[O-])CCC1	ZINC001588491151	983535456	/nfs/dbraw/zinc/53/54/56/983535456.db2.gz	DYNPZSXTDLBZJK-UHFFFAOYSA-N	-1	0	289.353	0.153	20	30		CCEDRM
CCN(C)C(=O)CN[C@@H](C(=O)[O-])c1cccc(C#N)c1	ZINC001596182919	983554619	/nfs/dbraw/zinc/55/46/19/983554619.db2.gz	BSNREDHOHIZOMJ-CYBMUJFWSA-N	-1	0	275.308	0.752	20	30		CCEDRM
C#C[C@H]1CC[C@H](NS(=O)(=O)CCCC(=O)[O-])CC1	ZINC001588510411	983555722	/nfs/dbraw/zinc/55/57/22/983555722.db2.gz	GEPFOHLGZMIBRZ-XYPYZODXSA-N	-1	0	273.354	0.963	20	30		CCEDRM
C#Cc1ccc(C(=O)N2CC[C@@](OC)(C(=O)[O-])C2)cn1	ZINC001588511155	983558694	/nfs/dbraw/zinc/55/86/94/983558694.db2.gz	SLMNYPADHKHZRG-AWEZNQCLSA-N	-1	0	274.276	0.379	20	30		CCEDRM
C#Cc1cccnc1N1C[C@H](C(=O)[O-])[C@@H](C(=O)OC)C1	ZINC001588528795	983578103	/nfs/dbraw/zinc/57/81/03/983578103.db2.gz	HJMPGNJVCZMCFL-QWRGUYRKSA-N	-1	0	274.276	0.373	20	30		CCEDRM
C=C(Br)COC(=O)Cn1cc(C(=O)[O-])nn1	ZINC001588529010	983579308	/nfs/dbraw/zinc/57/93/08/983579308.db2.gz	MNPBKJOEKHLMQD-UHFFFAOYSA-N	-1	0	290.073	0.428	20	30		CCEDRM
C=C(C)[C@H](CC(=O)N(CC(=O)[O-])CC(=O)OC)OCC	ZINC001588529873	983582734	/nfs/dbraw/zinc/58/27/34/983582734.db2.gz	KBJPEKQVZHXXNU-JTQLQIEISA-N	-1	0	287.312	0.444	20	30		CCEDRM
CCN(CC#N)C(=O)CCCn1ccc(C(=O)[O-])n1	ZINC001596200084	983583712	/nfs/dbraw/zinc/58/37/12/983583712.db2.gz	GGQVMHRQOMLCRG-UHFFFAOYSA-N	-1	0	264.285	0.734	20	30		CCEDRM
C=C(C)C[C@H](CO)NC(=S)NCCCC(=O)[O-]	ZINC001588536783	983595880	/nfs/dbraw/zinc/59/58/80/983595880.db2.gz	DXKMDNDLCPVDCH-SECBINFHSA-N	-1	0	260.359	0.642	20	30		CCEDRM
C=C(C)C[C@@H](NC(=O)[C@H](CC)NC(C)=O)C(=O)[O-]	ZINC001588537268	983598432	/nfs/dbraw/zinc/59/84/32/983598432.db2.gz	KQVMZJMELWNLMJ-VHSXEESVSA-N	-1	0	256.302	0.437	20	30		CCEDRM
C=C(C)C[C@H](NC(=O)C[C@@H]1CCC(=O)NC1)C(=O)[O-]	ZINC001588540157	983602610	/nfs/dbraw/zinc/60/26/10/983602610.db2.gz	BDMGRLBGLVSRQU-UWVGGRQHSA-N	-1	0	268.313	0.438	20	30		CCEDRM
C=C(C)C[C@H](NC(=O)C[C@@H]1CCOC[C@H]1OC)C(=O)[O-]	ZINC001588540933	983605862	/nfs/dbraw/zinc/60/58/62/983605862.db2.gz	PGONOYRQDHFLKB-SDDRHHMPSA-N	-1	0	285.340	0.964	20	30		CCEDRM
CCN(CC(=O)[O-])CC(=O)NCc1cccc(C#N)c1	ZINC001596222139	983613404	/nfs/dbraw/zinc/61/34/04/983613404.db2.gz	HYQGZBWROZFWHA-UHFFFAOYSA-N	-1	0	275.308	0.581	20	30		CCEDRM
C=C(C)C[C@@H](NC(=O)[C@H]1C[C@@H](C(=O)[O-])C1)C(=O)OC	ZINC001588544230	983613823	/nfs/dbraw/zinc/61/38/23/983613823.db2.gz	YOHRBNYVOGYXLY-KXUCPTDWSA-N	-1	0	269.297	0.721	20	30		CCEDRM
C=C(C)C[C@H](NC(=O)c1ccc(C=O)n1C)C(=O)[O-]	ZINC001588546387	983615201	/nfs/dbraw/zinc/61/52/01/983615201.db2.gz	IPUFVMQIXKIUAI-JTQLQIEISA-N	-1	0	264.281	0.987	20	30		CCEDRM
C=C(C)C[C@@H](NC(C)=O)C(=O)N1CCC[C@H](C(=O)[O-])C1	ZINC001588547946	983622294	/nfs/dbraw/zinc/62/22/94/983622294.db2.gz	OURZNNABFKFKIV-NWDGAFQWSA-N	-1	0	282.340	0.781	20	30		CCEDRM
C=C(C)C[C@H](NC(C)=O)C(=O)N1CC[C@H](C(=O)[O-])[C@@H]1C	ZINC001588548961	983626151	/nfs/dbraw/zinc/62/61/51/983626151.db2.gz	ZXXIGCPLZFJZIB-DLOVCJGASA-N	-1	0	282.340	0.779	20	30		CCEDRM
C=C(C)C[C@H](NS(=O)(=O)CCCOC(C)=O)C(=O)[O-]	ZINC001588553796	983628946	/nfs/dbraw/zinc/62/89/46/983628946.db2.gz	SRWHJQOYHQNIJW-JTQLQIEISA-N	-1	0	293.341	0.278	20	30		CCEDRM
C=C(C)CCNS(=O)(=O)c1cc(C(=O)[O-])[nH]n1	ZINC001588559697	983640606	/nfs/dbraw/zinc/64/06/06/983640606.db2.gz	RDJPJFWJOLOTKU-UHFFFAOYSA-N	-1	0	259.287	0.352	20	30		CCEDRM
C=C(C)CNS(=O)(=O)c1ccc(C(=O)[O-])nc1	ZINC001588569990	983650179	/nfs/dbraw/zinc/65/01/79/983650179.db2.gz	QJOFVEXEMNHSRA-UHFFFAOYSA-N	-1	0	256.283	0.634	20	30		CCEDRM
C=C(C)Cn1nnnc1N1CCC[C@@](C)(C(=O)[O-])C1	ZINC001588599504	983690323	/nfs/dbraw/zinc/69/03/23/983690323.db2.gz	TWXYBOLKRGARSJ-GFCCVEGCSA-N	-1	0	265.317	0.940	20	30		CCEDRM
C=C(C)[C@H]1OCC[C@H]1C(=O)NC[C@H]1C[C@H]1C(=O)[O-]	ZINC001588599531	983690543	/nfs/dbraw/zinc/69/05/43/983690543.db2.gz	VHVKDTGMABLIGH-GWOFURMSSA-N	-1	0	253.298	0.805	20	30		CCEDRM
C=C(CCC(=O)[O-])C(=O)N(C)[C@@H](C)C[S@](C)=O	ZINC001588607058	983699722	/nfs/dbraw/zinc/69/97/22/983699722.db2.gz	QNKZHCFWDXPYFQ-XYZCENFISA-N	-1	0	261.343	0.633	20	30		CCEDRM
C=C(CCC(=O)[O-])C(=O)N(C[C@H]1CCC(=O)N1)C(C)C	ZINC001588612130	983701852	/nfs/dbraw/zinc/70/18/52/983701852.db2.gz	JIXJRQVEIBTOJC-LLVKDONJSA-N	-1	0	282.340	0.923	20	30		CCEDRM
C=C(CCC(=O)[O-])C(=O)N1C[C@@H](C)[C@@](C)(CO)C1	ZINC001588612204	983702176	/nfs/dbraw/zinc/70/21/76/983702176.db2.gz	KWGIVLKKSCYULE-ZWNOBZJWSA-N	-1	0	255.314	0.884	20	30		CCEDRM
C=C(CCC(=O)[O-])C(=O)N1CC(=O)N(CC2CC2)C1	ZINC001588612305	983702512	/nfs/dbraw/zinc/70/25/12/983702512.db2.gz	LXJHVCPHYZHIHC-UHFFFAOYSA-N	-1	0	266.297	0.446	20	30		CCEDRM
C=C(CCC(=O)[O-])C(=O)N1CC[C@@H](CC(N)=O)C1	ZINC001588614343	983707209	/nfs/dbraw/zinc/70/72/09/983707209.db2.gz	QYRONKHZYWPYTJ-VIFPVBQESA-N	-1	0	254.286	0.131	20	30		CCEDRM
C=C(CCC(=O)[O-])C(=O)N1CCC[C@@]1(COC)C(=O)OC	ZINC001588614726	983708510	/nfs/dbraw/zinc/70/85/10/983708510.db2.gz	AGOMOZQTRVYXNW-CQSZACIVSA-N	-1	0	299.323	0.588	20	30		CCEDRM
C=C(CCC(=O)[O-])C(=O)N1CCO[C@@](C)(C(=O)OCC)C1	ZINC001588615041	983709788	/nfs/dbraw/zinc/70/97/88/983709788.db2.gz	IFOJFUGUYXYLFO-CQSZACIVSA-N	-1	0	299.323	0.588	20	30		CCEDRM
C=C(CCC(=O)[O-])C(=O)N1CCC[C@H]1C(=O)NC1CC1	ZINC001588615331	983711309	/nfs/dbraw/zinc/71/13/09/983711309.db2.gz	QNTMVDXLBNCUIH-NSHDSACASA-N	-1	0	280.324	0.677	20	30		CCEDRM
C=C(CCC(=O)[O-])C(=O)N1CCO[C@@H]2COCC[C@@H]21	ZINC001588619610	983717977	/nfs/dbraw/zinc/71/79/77/983717977.db2.gz	ZIRCSVXZOFZJBB-WDEREUQCSA-N	-1	0	269.297	0.424	20	30		CCEDRM
C=C(CCC(=O)[O-])C(=O)N[C@@H]1CCc2n[nH]cc2C1	ZINC001588622922	983725486	/nfs/dbraw/zinc/72/54/86/983725486.db2.gz	GURCBXQQIBXYQY-SNVBAGLBSA-N	-1	0	263.297	0.804	20	30		CCEDRM
CCN(CCC#N)C(=O)COC(=O)[C@@H]1CC[C@@H]1C(=O)[O-]	ZINC001596299749	983726335	/nfs/dbraw/zinc/72/63/35/983726335.db2.gz	ZWSQOLGJQTVDMU-VHSXEESVSA-N	-1	0	282.296	0.403	20	30		CCEDRM
C=C(CCC(=O)[O-])C(=O)NCCN1CCO[C@@H](C)C1	ZINC001588624472	983732937	/nfs/dbraw/zinc/73/29/37/983732937.db2.gz	JUWBGMSGKWRRKH-NSHDSACASA-N	-1	0	270.329	0.244	20	30		CCEDRM
C=C(CCC(=O)[O-])C(=O)NCc1ccc(=O)[nH]n1	ZINC001588630197	983742190	/nfs/dbraw/zinc/74/21/90/983742190.db2.gz	UFPMORINFNOAKR-UHFFFAOYSA-N	-1	0	251.242	0.219	20	30		CCEDRM
C=C(CO)C(=O)N(CCCOCC)C[C@H](C)C(=O)[O-]	ZINC001588637296	983759515	/nfs/dbraw/zinc/75/95/15/983759515.db2.gz	LITXZBVDHHBBPR-JTQLQIEISA-N	-1	0	273.329	0.511	20	30		CCEDRM
C=C1CC(C)(C(=O)N2C[C@H](O)C[C@@H](C(=O)[O-])C2)C1	ZINC001588643287	983765360	/nfs/dbraw/zinc/76/53/60/983765360.db2.gz	CDRTVXRCEJRSOM-NXEZZACHSA-N	-1	0	253.298	0.637	20	30		CCEDRM
C=C(Cl)Cn1nnnc1N1CC[C@@](C)(C(=O)[O-])C1	ZINC001588643494	983766136	/nfs/dbraw/zinc/76/61/36/983766136.db2.gz	JOJOOIZTGAHILY-SNVBAGLBSA-N	-1	0	271.708	0.727	20	30		CCEDRM
C=C(Cl)Cn1nnnc1N1CC[C@@H](C(=O)[O-])[C@H]1C	ZINC001588643928	983768130	/nfs/dbraw/zinc/76/81/30/983768130.db2.gz	YJUUQJBBBXPAAP-HTQZYQBOSA-N	-1	0	271.708	0.725	20	30		CCEDRM
C=CC(C)(C)C(=O)N1CCN(C(=O)[C@H]2C[C@@H]2C(=O)[O-])CC1	ZINC001588671994	983823275	/nfs/dbraw/zinc/82/32/75/983823275.db2.gz	MNAMFUVIPNHDBL-QWRGUYRKSA-N	-1	0	294.351	0.590	20	30		CCEDRM
C=C[C@@](C)(O)C(=O)NC[C@H](Cc1ccncc1)C(=O)[O-]	ZINC001588683154	983846520	/nfs/dbraw/zinc/84/65/20/983846520.db2.gz	VISYJNPTIUMVBM-SMDDNHRTSA-N	-1	0	278.308	0.378	20	30		CCEDRM
C=C[C@@](C)(O)CC(=O)N1CCSC[C@@H]1CC(=O)[O-]	ZINC001588684657	983862227	/nfs/dbraw/zinc/86/22/27/983862227.db2.gz	WFFMXBAYJRUGLC-JOYOIKCWSA-N	-1	0	273.354	0.732	20	30		CCEDRM
C=C[C@H](C)NC(=O)C(=O)Nc1cc(C)[nH]c1C(=O)[O-]	ZINC001588687341	983870608	/nfs/dbraw/zinc/87/06/08/983870608.db2.gz	NKZSWTVLKJLCJU-LURJTMIESA-N	-1	0	265.269	0.651	20	30		CCEDRM
C=C[C@H](COC)NC(=O)N1CC(c2cc(C(=O)[O-])n[nH]2)C1	ZINC001588692589	983883469	/nfs/dbraw/zinc/88/34/69/983883469.db2.gz	FLNKPDDYYYZTSD-SECBINFHSA-N	-1	0	294.311	0.418	20	30		CCEDRM
C=C[C@@H](COC)NC(=O)Nc1cc(C(=O)[O-])nn1C	ZINC001588693114	983891181	/nfs/dbraw/zinc/89/11/81/983891181.db2.gz	RJUGKKSHMQLTKJ-ZETCQYMHSA-N	-1	0	268.273	0.441	20	30		CCEDRM
C=C[C@H](OC(=O)[C@@H](NS(C)(=O)=O)C(C)(C)C)C(=O)[O-]	ZINC001588703993	983923026	/nfs/dbraw/zinc/92/30/26/983923026.db2.gz	BSHPGYQUCUUDNV-JGVFFNPUSA-N	-1	0	293.341	0.133	20	30		CCEDRM
CCN1C[C@@H](CN(CC#N)CCC(=O)[O-])OC1=O	ZINC001596395634	983933718	/nfs/dbraw/zinc/93/37/18/983933718.db2.gz	AMQXONKXFDTPJU-SECBINFHSA-N	-1	0	255.274	0.127	20	30		CCEDRM
C=C[C@H](OC(=O)[C@@H]1CCc2cnn(C)c2C1)C(=O)[O-]	ZINC001588712585	983945479	/nfs/dbraw/zinc/94/54/79/983945479.db2.gz	XOFIANFDWSHOCP-KCJUWKMLSA-N	-1	0	264.281	0.707	20	30		CCEDRM
C=C[C@@H](Sc1nnnn1C[C@@H]1CCCO1)C(=O)[O-]	ZINC001588715062	983954474	/nfs/dbraw/zinc/95/44/74/983954474.db2.gz	SZEQUZDCYHGBAY-JGVFFNPUSA-N	-1	0	270.314	0.583	20	30		CCEDRM
C=CCC(F)(F)C(=O)OCCn1cc(C(=O)[O-])nn1	ZINC001588742328	984032037	/nfs/dbraw/zinc/03/20/37/984032037.db2.gz	AXLIOMKHDMFICY-UHFFFAOYSA-N	-1	0	275.211	0.731	20	30		CCEDRM
C=CC[C@@H](CO)CNc1ncnc(C(=O)[O-])c1OC	ZINC001588743621	984038448	/nfs/dbraw/zinc/03/84/48/984038448.db2.gz	ARXNZKWMMBJYOY-MRVPVSSYSA-N	-1	0	267.285	0.780	20	30		CCEDRM
C=CC[C@H](CO)NC(=O)N[C@H]1C[C@@H]2C[C@]2(C(=O)[O-])C1	ZINC001588745270	984050468	/nfs/dbraw/zinc/05/04/68/984050468.db2.gz	XDGLRCDPDYOLCO-DNJQJEMRSA-N	-1	0	268.313	0.476	20	30		CCEDRM
C=CC[C@@H](OC(=O)CNC(=O)c1ccccn1)C(=O)[O-]	ZINC001588753652	984087674	/nfs/dbraw/zinc/08/76/74/984087674.db2.gz	LHJUYEMIFPTQKI-SNVBAGLBSA-N	-1	0	278.264	0.384	20	30		CCEDRM
C=CC[C@H](OC(=O)c1cnc2ncnn2c1CC)C(=O)[O-]	ZINC001588759528	984112018	/nfs/dbraw/zinc/11/20/18/984112018.db2.gz	WBOMCCFALDIHQU-JTQLQIEISA-N	-1	0	290.279	0.873	20	30		CCEDRM
C=CCCC(=O)NCCN(CC)C(=O)[C@H]1C[C@@H]1C(=O)[O-]	ZINC001588777014	984154975	/nfs/dbraw/zinc/15/49/75/984154975.db2.gz	RIEBVOGJWGANLO-QWRGUYRKSA-N	-1	0	282.340	0.638	20	30		CCEDRM
C=CCCC[C@@H](NC(=O)C1(C(=O)N(C)C)CC1)C(=O)[O-]	ZINC001588784743	984177421	/nfs/dbraw/zinc/17/74/21/984177421.db2.gz	ARJWIFOSERQAPV-SNVBAGLBSA-N	-1	0	282.340	0.781	20	30		CCEDRM
C=CCCC[C@@H](NC(=O)[C@@]1(COC)CCOC1)C(=O)[O-]	ZINC001588789533	984199114	/nfs/dbraw/zinc/19/91/14/984199114.db2.gz	DPYMJBYECXIVRA-BXUZGUMPSA-N	-1	0	285.340	0.965	20	30		CCEDRM
C=CCCC[C@@H](NC(=O)c1cn(C)c(=O)[nH]c1=O)C(=O)[O-]	ZINC001588792751	984213031	/nfs/dbraw/zinc/21/30/31/984213031.db2.gz	DHFAUABRSXSWGA-SECBINFHSA-N	-1	0	295.295	0.025	20	30		CCEDRM
C=CCCC[C@@H](NC(=O)c1cccnc1C(N)=O)C(=O)[O-]	ZINC001588792830	984213526	/nfs/dbraw/zinc/21/35/26/984213526.db2.gz	GFUIGWCIDVJFBK-SNVBAGLBSA-N	-1	0	291.307	0.720	20	30		CCEDRM
C=CCCN(C)C(=O)C(=O)NCc1cc(C(=O)[O-])c(C)o1	ZINC001588805638	984254807	/nfs/dbraw/zinc/25/48/07/984254807.db2.gz	ISEHRGKDOOEAKI-UHFFFAOYSA-N	-1	0	294.307	0.937	20	30		CCEDRM
C=CCCOCC(=O)N1CC[N@H+](CCC(=O)[O-])[C@H](C)C1	ZINC001588810505	984267718	/nfs/dbraw/zinc/26/77/18/984267718.db2.gz	UULBWEPNBKMKLB-GFCCVEGCSA-N	-1	0	284.356	0.587	20	30		CCEDRM
C=CCCn1cc(C(=O)N[C@@H](C)/C=C/C(=O)[O-])nn1	ZINC001588817899	984277849	/nfs/dbraw/zinc/27/78/49/984277849.db2.gz	XWCUQDXKTNPCKY-CYNONHLPSA-N	-1	0	264.285	0.613	20	30		CCEDRM
C=CCNC(=O)[C@H](C)OC(=O)c1c[nH]c(C(=O)[O-])c1	ZINC001588838818	984341997	/nfs/dbraw/zinc/34/19/97/984341997.db2.gz	JPBBMCANOSSXEB-ZETCQYMHSA-N	-1	0	266.253	0.560	20	30		CCEDRM
C=CCN1CC[C@@H](OC(=O)[C@H](CC)C(=O)[O-])C1=O	ZINC001588838870	984342566	/nfs/dbraw/zinc/34/25/66/984342566.db2.gz	KOLWASOYFNJNQF-RKDXNWHRSA-N	-1	0	255.270	0.427	20	30		CCEDRM
C=CCN1CC[C@H](n2cc(CO[C@H](C)C(=O)[O-])nn2)C1=O	ZINC001588839495	984347915	/nfs/dbraw/zinc/34/79/15/984347915.db2.gz	RSNNEGZZMTZVFC-KOLCDFICSA-N	-1	0	294.311	0.227	20	30		CCEDRM
C=CCNC(=O)[C@H](C)OC(=O)c1ccncc1C(=O)[O-]	ZINC001588839791	984349575	/nfs/dbraw/zinc/34/95/75/984349575.db2.gz	VPXZGCGANFSDPT-QMMMGPOBSA-N	-1	0	278.264	0.627	20	30		CCEDRM
C=CCNC(=O)COC(=O)[C@H]1CC[C@@H](CCC(=O)[O-])O1	ZINC001588844222	984356417	/nfs/dbraw/zinc/35/64/17/984356417.db2.gz	FQBAIMDYJNRFPQ-VHSXEESVSA-N	-1	0	285.296	0.244	20	30		CCEDRM
C=CCOCC(=O)N1CCCC[C@@]1(COC)C(=O)[O-]	ZINC001588849832	984375177	/nfs/dbraw/zinc/37/51/77/984375177.db2.gz	LHVCRGYWRVVOKC-CYBMUJFWSA-N	-1	0	271.313	0.671	20	30		CCEDRM
C=CCO[C@H]1CCN(CN2C[C@@H](C(=O)[O-])OC2=O)C1	ZINC001588849878	984376402	/nfs/dbraw/zinc/37/64/02/984376402.db2.gz	MWUQWCNHXXRNRK-UWVGGRQHSA-N	-1	0	270.285	0.126	20	30		CCEDRM
C=CCO[C@H]1CCN(Cn2cc(C(=O)[O-])nn2)C1	ZINC001588850143	984379046	/nfs/dbraw/zinc/37/90/46/984379046.db2.gz	ZCQYWBAISSDZCC-VIFPVBQESA-N	-1	0	252.274	0.211	20	30		CCEDRM
C=CCOC[C@H](NC(=O)/C=C/C1CCOCC1)C(=O)[O-]	ZINC001588853838	984386676	/nfs/dbraw/zinc/38/66/76/984386676.db2.gz	JLYJWURHEWMZMI-PCAWENJQSA-N	-1	0	283.324	0.741	20	30		CCEDRM
C=CCOC[C@H](NC(=O)CC[N@@H+]1CC[C@H](F)C1)C(=O)[O-]	ZINC001588854014	984388284	/nfs/dbraw/zinc/38/82/84/984388284.db2.gz	NXYOJEBFTKQWPG-QWRGUYRKSA-N	-1	0	288.319	0.192	20	30		CCEDRM
C=CCOC[C@H](NC(=O)CCc1nc(C)no1)C(=O)[O-]	ZINC001588854225	984389273	/nfs/dbraw/zinc/38/92/73/984389273.db2.gz	RPTBPHFNFBAQLJ-VIFPVBQESA-N	-1	0	283.284	0.083	20	30		CCEDRM
C=CCOC[C@H](NC(=O)[C@@H]1CCOC[C@H]1C)C(=O)[O-]	ZINC001588856030	984396560	/nfs/dbraw/zinc/39/65/60/984396560.db2.gz	UPPWPHKIOHATCL-MXWKQRLJSA-N	-1	0	271.313	0.431	20	30		CCEDRM
C=CCOC[C@@H](NC(=O)c1cc(C=O)c[nH]1)C(=O)[O-]	ZINC001588859314	984404826	/nfs/dbraw/zinc/40/48/26/984404826.db2.gz	HWGQILXKMMAERQ-SNVBAGLBSA-N	-1	0	266.253	0.213	20	30		CCEDRM
C=CCOC[C@H](NC(=O)c1cc(C#N)ccn1)C(=O)[O-]	ZINC001588859360	984405142	/nfs/dbraw/zinc/40/51/42/984405142.db2.gz	JGNCISBLIFIKRV-NSHDSACASA-N	-1	0	275.264	0.339	20	30		CCEDRM
C=CCOC[C@@H](NC(=O)c1cc(Cl)no1)C(=O)[O-]	ZINC001588859552	984406512	/nfs/dbraw/zinc/40/65/12/984406512.db2.gz	PUUUMPDAMGIBDW-ZCFIWIBFSA-N	-1	0	274.660	0.714	20	30		CCEDRM
C=CCOC[C@@H](NC(=O)c1cn(C(C)C)nn1)C(=O)[O-]	ZINC001588860148	984411186	/nfs/dbraw/zinc/41/11/86/984411186.db2.gz	KIVVROOFTXDWSO-SNVBAGLBSA-N	-1	0	282.300	0.245	20	30		CCEDRM
C=CCOC[C@H](NC(=O)c1ccc(C)nn1)C(=O)[O-]	ZINC001588862436	984418993	/nfs/dbraw/zinc/41/89/93/984418993.db2.gz	XZBQHFYBZAQQEW-JTQLQIEISA-N	-1	0	265.269	0.171	20	30		CCEDRM
C=CCOC[C@@H](NC(=O)c1ccc(O)cc1O)C(=O)[O-]	ZINC001588862482	984419034	/nfs/dbraw/zinc/41/90/34/984419034.db2.gz	YRZGVXYGSMOYHZ-SNVBAGLBSA-N	-1	0	281.264	0.483	20	30		CCEDRM
C=CCOCc1nnc(N2CCO[C@H](C(=O)[O-])C2)n1CC	ZINC001588868881	984435814	/nfs/dbraw/zinc/43/58/14/984435814.db2.gz	YUJZRIPYBFZFNC-JTQLQIEISA-N	-1	0	296.327	0.290	20	30		CCEDRM
C=CCOCCN1C(=O)[C@@H]2CC[C@@H](C(=O)[O-])CN2C1=O	ZINC001588869104	984438336	/nfs/dbraw/zinc/43/83/36/984438336.db2.gz	RPGOBCYHAYZHTP-ZJUUUORDSA-N	-1	0	282.296	0.316	20	30		CCEDRM
C=C[C@@H]1OCC[C@H]1C(=O)Nc1ccn(CC(=O)[O-])n1	ZINC001588916305	984559481	/nfs/dbraw/zinc/55/94/81/984559481.db2.gz	FATZFBNHTJEIET-BDAKNGLRSA-N	-1	0	265.269	0.497	20	30		CCEDRM
C=C[C@@H]1OCC[C@H]1C(=O)N(C)[C@@H](COCC)C(=O)[O-]	ZINC001588917352	984566396	/nfs/dbraw/zinc/56/63/96/984566396.db2.gz	XOHGTDQMGXYUDQ-VWYCJHECSA-N	-1	0	271.313	0.526	20	30		CCEDRM
CC#CC(=O)N1CCC2(CC(C(=O)[O-])=NO2)CC1	ZINC001588926379	984593728	/nfs/dbraw/zinc/59/37/28/984593728.db2.gz	VAVIJINGJWHGIZ-UHFFFAOYSA-N	-1	0	250.254	0.232	20	30		CCEDRM
CC#CCn1nnnc1N1C[C@@H]2CCC[C@]2(C(=O)[O-])C1	ZINC001588932310	984606950	/nfs/dbraw/zinc/60/69/50/984606950.db2.gz	QSKLXSYIVWVTRG-GWCFXTLKSA-N	-1	0	275.312	0.388	20	30		CCEDRM
CC(=NN1CCN(C)CC1)c1ncc(C(=O)[O-])s1	ZINC001589011130	984987329	/nfs/dbraw/zinc/98/73/29/984987329.db2.gz	PWGAYLHCALWYAK-UHFFFAOYSA-N	-1	0	268.342	0.813	20	30		CCEDRM
CC(=NN=c1cc[nH]n1C)c1ncc(C(=O)[O-])s1	ZINC001589011205	984988236	/nfs/dbraw/zinc/98/82/36/984988236.db2.gz	SXPXMUCXCQARLK-UHFFFAOYSA-N	-1	0	265.298	0.833	20	30		CCEDRM
CC(=O)N(C)c1ccc(C(=O)N(CC#N)CC(=O)[O-])cc1	ZINC001589042307	985112294	/nfs/dbraw/zinc/11/22/94/985112294.db2.gz	SVDVXLQADPCBMF-UHFFFAOYSA-N	-1	0	289.291	0.720	20	30		CCEDRM
Cc1[nH]c(C#N)cc1C(=O)N[C@@H](CC1OCCO1)C(=O)[O-]	ZINC001599942737	985475113	/nfs/dbraw/zinc/47/51/13/985475113.db2.gz	SINPWCUJULCDET-JTQLQIEISA-N	-1	0	293.279	0.141	20	30		CCEDRM
C[C@H]1CN(C(=O)c2cc(C(=O)[O-])on2)C[C@H](C)N1CC#N	ZINC001594490195	985599080	/nfs/dbraw/zinc/59/90/80/985599080.db2.gz	WSGORSIAPSLUDL-IUCAKERBSA-N	-1	0	292.295	0.431	20	30		CCEDRM
Cc1[nH]c(C(=O)OCC(=O)NCCC#N)c(C)c1C(=O)[O-]	ZINC001599962084	985804546	/nfs/dbraw/zinc/80/45/46/985804546.db2.gz	YTMUBLIMENYPEU-UHFFFAOYSA-N	-1	0	293.279	0.516	20	30		CCEDRM
Cc1c(C(=O)N2CCC(C#N)(C(=O)[O-])CC2)cnn1C	ZINC001599976157	986094217	/nfs/dbraw/zinc/09/42/17/986094217.db2.gz	OGTCZEZXMIANIU-UHFFFAOYSA-N	-1	0	276.296	0.559	20	30		CCEDRM
C[C@@H](C#N)C(=O)N1CC[C@H](Nc2ncc(C(=O)[O-])cn2)C1	ZINC001589323735	986150202	/nfs/dbraw/zinc/15/02/02/986150202.db2.gz	LEBLKJDVQNOZNZ-WPRPVWTQSA-N	-1	0	289.295	0.347	20	30		CCEDRM
C[C@H](C#N)C(=O)N[C@@H](CCC(=O)[O-])C(=O)OC(C)(C)C	ZINC001589329786	986166855	/nfs/dbraw/zinc/16/68/55/986166855.db2.gz	SKNABLIKSNWZAA-BDAKNGLRSA-N	-1	0	284.312	0.837	20	30		CCEDRM
C[C@H](C#N)OCCn1cc(CO[C@H](C)C(=O)[O-])nn1	ZINC001589331574	986188719	/nfs/dbraw/zinc/18/87/19/986188719.db2.gz	IPFBMFJGSKNMOP-RKDXNWHRSA-N	-1	0	268.273	0.196	20	30		CCEDRM
C[C@@H](C(=O)N1CCC(C#N)(C(=O)[O-])CC1)c1cnn(C)c1	ZINC001589345564	986279835	/nfs/dbraw/zinc/27/98/35/986279835.db2.gz	BPDOVJLHXXHTGH-SNVBAGLBSA-N	-1	0	290.323	0.741	20	30		CCEDRM
C[C@H](C(=O)N1CCC[C@@H]1CC(=O)[O-])n1cnc(C#N)n1	ZINC001589356378	986337255	/nfs/dbraw/zinc/33/72/55/986337255.db2.gz	KIKNHGDLCSYYTP-RKDXNWHRSA-N	-1	0	277.284	0.176	20	30		CCEDRM
C[C@@H](C(=O)NCc1cc(C(=O)[O-])co1)n1cnc(C#N)n1	ZINC001589413991	986623836	/nfs/dbraw/zinc/62/38/36/986623836.db2.gz	UIQDKCJLLQZANY-ZETCQYMHSA-N	-1	0	289.251	0.318	20	30		CCEDRM
C[C@@H](C(=O)N[C@@H]1CCC[C@H]1CC(=O)[O-])n1cnc(C#N)n1	ZINC001589424521	986693630	/nfs/dbraw/zinc/69/36/30/986693630.db2.gz	YNDIQVFDNORUCQ-LPEHRKFASA-N	-1	0	291.311	0.470	20	30		CCEDRM
CC[C@H](C#N)C(=O)Nc1cnn(CC(=O)[O-])c1C	ZINC001594722834	987217620	/nfs/dbraw/zinc/21/76/20/987217620.db2.gz	WUYUNHQMVQYUNA-MRVPVSSYSA-N	-1	0	250.258	0.764	20	30		CCEDRM
CC[C@H](C#N)OC(=O)Cn1cccc(C(=O)[O-])c1=O	ZINC001594725003	987225181	/nfs/dbraw/zinc/22/51/81/987225181.db2.gz	IAPCFMZFEYGPIN-MRVPVSSYSA-N	-1	0	264.237	0.392	20	30		CCEDRM
CC(C)(C(=O)NC[C@@H](O)CC(=O)[O-])c1ccc(C#N)cc1	ZINC001589571014	987341190	/nfs/dbraw/zinc/34/11/90/987341190.db2.gz	TVFPCTNOYAPHBD-LBPRGKRZSA-N	-1	0	290.319	0.788	20	30		CCEDRM
CC(C)(C(=O)[O-])c1csc(NC(=O)NCC#CCO)n1	ZINC001589654966	987609635	/nfs/dbraw/zinc/60/96/35/987609635.db2.gz	MHCLQSDQYVBSCJ-UHFFFAOYSA-N	-1	0	297.336	0.623	20	30		CCEDRM
CC(C)(C(N)=O)C(=O)O[C@H](C(=O)[O-])c1ccc(C#N)cc1	ZINC001589682073	987717711	/nfs/dbraw/zinc/71/77/11/987717711.db2.gz	OWPMDPBUJCFPRL-JTQLQIEISA-N	-1	0	290.275	0.739	20	30		CCEDRM
C[C@@H]1CN(c2cc(C#N)nc(C3CC3)n2)C[C@@H](C(=O)[O-])O1	ZINC001599868225	989306336	/nfs/dbraw/zinc/30/63/36/989306336.db2.gz	OOZQMOGLKBHAIE-KCJUWKMLSA-N	-1	0	288.307	0.904	20	30		CCEDRM
C[C@@H]1C[C@H](C(=O)NCC2(C#N)CCC2)O[C@H]1C(=O)[O-]	ZINC001599875481	989413331	/nfs/dbraw/zinc/41/33/31/989413331.db2.gz	XJTJJVLSBKYBKA-OPRDCNLKSA-N	-1	0	266.297	0.675	20	30		CCEDRM
CCn1cc(C#N)c(=O)n(Cc2ccccc2C(=O)[O-])c1=O	ZINC001597870150	989672438	/nfs/dbraw/zinc/67/24/38/989672438.db2.gz	FRNQMRNXFOFYMP-UHFFFAOYSA-N	-1	0	299.286	0.648	20	30		CCEDRM
CCn1ncc(Cn2cc(C(=O)[O-])cc(C#N)c2=O)n1	ZINC001597957658	989972657	/nfs/dbraw/zinc/97/26/57/989972657.db2.gz	ATHGEJSTBJPKFR-UHFFFAOYSA-N	-1	0	273.252	0.078	20	30		CCEDRM
CN(C)C[C@@](C)(C#N)NC(=O)[C@H]1C[C@@H](C(=O)[O-])C1	ZINC001598199733	990810069	/nfs/dbraw/zinc/81/00/69/990810069.db2.gz	QICPPMMTJWURKE-VDDIYKPWSA-N	-1	0	253.302	0.057	20	30		CCEDRM
CN(C)C[C@](C)(C#N)NC(=O)[C@@H]1CCC[C@@H](C(=O)[O-])C1	ZINC001598199735	990810119	/nfs/dbraw/zinc/81/01/19/990810119.db2.gz	QIYSVDPZPVZYPY-GYSYKLTISA-N	-1	0	281.356	0.837	20	30		CCEDRM
CN([C@@H](C(=O)[O-])c1cccc(C#N)c1)C1CS(=O)(=O)C1	ZINC001598375688	991560723	/nfs/dbraw/zinc/56/07/23/991560723.db2.gz	CTHAZLPYVMMJMO-GFCCVEGCSA-N	-1	0	294.332	0.413	20	30		CCEDRM
CN(CC(C)(C)C#N)C(=O)C(=O)N(C)[C@H]1C[C@@H](C(=O)[O-])C1	ZINC001598419737	991754129	/nfs/dbraw/zinc/75/41/29/991754129.db2.gz	MBVLMUWLJAHIGS-AOOOYVTPSA-N	-1	0	295.339	0.316	20	30		CCEDRM
CN(CCC#N)C(=O)Nc1nn(C)cc1C(=O)[O-]	ZINC001598469112	991996870	/nfs/dbraw/zinc/99/68/70/991996870.db2.gz	XHHZWZZNVKXAFN-UHFFFAOYSA-N	-1	0	251.246	0.496	20	30		CCEDRM
CS(=O)(=O)c1ccc(CN(CC#N)CC(=O)[O-])cc1	ZINC001599769733	992228634	/nfs/dbraw/zinc/22/86/34/992228634.db2.gz	BOJZHAWHLMQNQU-UHFFFAOYSA-N	-1	0	282.321	0.500	20	30		CCEDRM
CN(CCOCCO)Cc1cccc(C(=O)[O-])c1C#N	ZINC001598498063	992391097	/nfs/dbraw/zinc/39/10/97/992391097.db2.gz	OHKKNXQHUBWQMY-UHFFFAOYSA-N	-1	0	278.308	0.697	20	30		CCEDRM
CNC(=O)CON=C(C)c1ccc(OCC(=O)[O-])cc1	ZINC001598644652	994357284	/nfs/dbraw/zinc/35/72/84/994357284.db2.gz	HKJVCVPCDNXBDB-UHFFFAOYSA-N	-1	0	280.280	0.637	20	30		CCEDRM
C/N=C1/NC(=O)/C(=C/c2ccc(C(=O)[O-])n2C)S1	ZINC001598664040	994644860	/nfs/dbraw/zinc/64/48/60/994644860.db2.gz	CSAAOQMBIFKAAX-YVMONPNESA-N	-1	0	265.294	0.913	20	30		CCEDRM
COC(=O)[C@H](CC(=O)[O-])NC(=O)c1ccc(C#N)c(O)c1	ZINC001598693317	995097628	/nfs/dbraw/zinc/09/76/28/995097628.db2.gz	RRKADQRLDOWAJW-VIFPVBQESA-N	-1	0	292.247	0.010	20	30		CCEDRM
C[C@](O)(CNC(=O)c1c(F)cc(C#N)cc1F)C(=O)[O-]	ZINC001593408116	995177941	/nfs/dbraw/zinc/17/79/41/995177941.db2.gz	WKOQTADOVBEJLX-LBPRGKRZSA-N	-1	0	284.218	0.402	20	30		CCEDRM
CC(C)[C@](C)(C#N)NC(=O)[C@@H](C)OC(=O)C1(C(=O)[O-])CC1	ZINC001593490176	995453142	/nfs/dbraw/zinc/45/31/42/995453142.db2.gz	ATWMZWBSGIEQTD-RNCFNFMXSA-N	-1	0	296.323	0.837	20	30		CCEDRM
C[C@@]1(C#N)CCN(C(=O)[C@H]2CC[C@@H](C(=O)[O-])O2)C1	ZINC001593742781	996362740	/nfs/dbraw/zinc/36/27/40/996362740.db2.gz	FFOJRWAYWJFXGI-PTRXPTGYSA-N	-1	0	252.270	0.381	20	30		CCEDRM
C[C@@]1(C#N)CCCN(C(=O)c2cnc(C(=O)[O-])cn2)C1	ZINC001593742875	996363074	/nfs/dbraw/zinc/36/30/74/996363074.db2.gz	IEWSJAGGECWFCT-ZDUSSCGKSA-N	-1	0	274.280	0.941	20	30		CCEDRM
C[C@]1(C#N)CN(C(=O)CC[C@@H]2C[C@H](C(=O)[O-])CO2)CCO1	ZINC001593743718	996370650	/nfs/dbraw/zinc/37/06/50/996370650.db2.gz	ZTCAVPVRJHWIER-WDMOLILDSA-N	-1	0	296.323	0.397	20	30		CCEDRM
COC(=O)[C@@H]1CN(c2ccncc2C#N)C[C@H]1C(=O)[O-]	ZINC001598825234	996375093	/nfs/dbraw/zinc/37/50/93/996375093.db2.gz	CJFGXTOJVMCQQL-NXEZZACHSA-N	-1	0	275.264	0.263	20	30		CCEDRM
COC(=O)[C@H]1CN(c2ccc(C)nc2C#N)C[C@H]1C(=O)[O-]	ZINC001598830034	996426225	/nfs/dbraw/zinc/42/62/25/996426225.db2.gz	WUQBRIDKBHFLPF-ZJUUUORDSA-N	-1	0	289.291	0.572	20	30		CCEDRM
C[C@@]1(C(N)=O)CCN(c2ccc(C(=O)[O-])nc2C#N)C1	ZINC001593816060	996552844	/nfs/dbraw/zinc/55/28/44/996552844.db2.gz	RDZRWORDOCKDKM-CYBMUJFWSA-N	-1	0	274.280	0.353	20	30		CCEDRM
COC(=O)CC[C@@H](NC(=O)c1ccc(C#N)[nH]1)C(=O)[O-]	ZINC001598857876	996653227	/nfs/dbraw/zinc/65/32/27/996653227.db2.gz	SIVVZCGEENMFHS-SECBINFHSA-N	-1	0	279.252	0.023	20	30		CCEDRM
COCC[C@](C)(C#N)NC(=O)[C@H]1C[C@@H](C(=O)[O-])C1	ZINC001599207506	997436456	/nfs/dbraw/zinc/43/64/56/997436456.db2.gz	NKVAWFDCCSBUAY-VDDIYKPWSA-N	-1	0	254.286	0.532	20	30		CCEDRM
CON(C(=O)c1cc(C#N)c[nH]1)[C@@H](C)CC(=O)[O-]	ZINC001599312223	997436737	/nfs/dbraw/zinc/43/67/37/997436737.db2.gz	GZKRRZRSFYLRGL-ZETCQYMHSA-N	-1	0	251.242	0.753	20	30		CCEDRM
CON=CC(=O)N[C@@](C)(CC(=O)[O-])c1ccncc1	ZINC001599320425	997571496	/nfs/dbraw/zinc/57/14/96/997571496.db2.gz	OLCVDMCAUFWBDY-LBPRGKRZSA-N	-1	0	265.269	0.520	20	30		CCEDRM
COc1c(C(=O)[O-])ncnc1N1CCN(CCC#N)CC1	ZINC001599330808	997744965	/nfs/dbraw/zinc/74/49/65/997744965.db2.gz	BMUBFEUQVCZENC-UHFFFAOYSA-N	-1	0	291.311	0.219	20	30		CCEDRM
COCCN(CC#N)C(=O)c1cc(C(=O)[O-])co1	ZINC001599231011	997853549	/nfs/dbraw/zinc/85/35/49/997853549.db2.gz	KPFNGHFXIDOKEQ-UHFFFAOYSA-N	-1	0	252.226	0.590	20	30		CCEDRM
CC1(NS(=O)(=O)c2ccc(C#N)cc2C(=O)[O-])COC1	ZINC001594062210	997859359	/nfs/dbraw/zinc/85/93/59/997859359.db2.gz	VEJDRMFINLBQNU-UHFFFAOYSA-N	-1	0	296.304	0.324	20	30		CCEDRM
COCCN(CCC#N)C[C@H]1[C@@H](C(=O)[O-])C1(F)F	ZINC001599235889	997945735	/nfs/dbraw/zinc/94/57/35/997945735.db2.gz	WCLIOZXIUNEGTM-IUCAKERBSA-N	-1	0	262.256	0.814	20	30		CCEDRM
COCC#CC(=O)Nc1cc(CCC(=O)[O-])ccc1O	ZINC001599137706	998071968	/nfs/dbraw/zinc/07/19/68/998071968.db2.gz	AAQDZVGOXMEAJW-UHFFFAOYSA-N	-1	0	277.276	0.998	20	30		CCEDRM
COCC#CC(=O)N1CC[C@](C(=O)[O-])(C(F)(F)F)C1	ZINC001599139349	998099874	/nfs/dbraw/zinc/09/98/74/998099874.db2.gz	VKBGMGLZYFJRTL-JTQLQIEISA-N	-1	0	279.214	0.502	20	30		CCEDRM
COC[C@](C)(C#N)NC(=O)c1ccc(C(=O)[O-])n1C	ZINC001599143827	998177348	/nfs/dbraw/zinc/17/73/48/998177348.db2.gz	HJPIWQYXNMIEGC-LBPRGKRZSA-N	-1	0	265.269	0.382	20	30		CCEDRM
COC[C@@](C)(NC(=O)c1csc(C#N)c1)C(=O)[O-]	ZINC001599152653	998317268	/nfs/dbraw/zinc/31/72/68/998317268.db2.gz	HIUNRQUOMOEPNB-LLVKDONJSA-N	-1	0	268.294	0.839	20	30		CCEDRM
COC[C@](C)(NC(=O)c1ccc(C#N)c(OC)c1)C(=O)[O-]	ZINC001599152867	998320486	/nfs/dbraw/zinc/32/04/86/998320486.db2.gz	ZHTRUXVNHOVYHW-AWEZNQCLSA-N	-1	0	292.291	0.786	20	30		CCEDRM
C[C@@H]1[C@@H](C(=O)[O-])CCN1C(=O)C(=O)NCCCCC#N	ZINC001594138343	998404387	/nfs/dbraw/zinc/40/43/87/998404387.db2.gz	KATKBFKHVMPLNM-ZJUUUORDSA-N	-1	0	281.312	0.118	20	30		CCEDRM
COC[C@@H](C)NC(=S)NN=Cc1ccc(C(=O)[O-])n1C	ZINC001599158393	998414066	/nfs/dbraw/zinc/41/40/66/998414066.db2.gz	BCCXQZQBWMBMMA-MRVPVSSYSA-N	-1	0	298.368	0.556	20	30		CCEDRM
COCC(COC)N[C@@H](C(=O)[O-])c1ccc(C#N)cc1	ZINC001599166944	998556146	/nfs/dbraw/zinc/55/61/46/998556146.db2.gz	QWTIXJLSGLPMBX-CYBMUJFWSA-N	-1	0	278.308	0.935	20	30		CCEDRM
CO[C@]1(C(=O)[O-])CCN(C(=O)NCC(C)(C)CC#N)C1	ZINC001599072209	999341073	/nfs/dbraw/zinc/34/10/73/999341073.db2.gz	IXNSLPKEIRKVQQ-CYBMUJFWSA-N	-1	0	283.328	0.811	20	30		CCEDRM
C=C(C)C[C@H](NC(=O)Cn1ccc([N+](=O)[O-])n1)C(=O)[O-]	ZINC000600874912	362085336	/nfs/dbraw/zinc/08/53/36/362085336.db2.gz	RHQZCAYVHQQWAH-QMMMGPOBSA-N	-1	0	282.256	0.327	20	30		CCEDRM
N#Cc1c[n-]c(=O)n(Cc2cccc3c2CCOC3)c1=O	ZINC000601083332	362145922	/nfs/dbraw/zinc/14/59/22/362145922.db2.gz	DRUGEDHDJVYHIY-UHFFFAOYSA-N	-1	0	283.287	0.529	20	30		CCEDRM
C=CCCCCCNC(=O)C(=O)NCCC(=O)[O-]	ZINC000573458827	334939817	/nfs/dbraw/zinc/93/98/17/334939817.db2.gz	GPGGFEZIKKEAQY-UHFFFAOYSA-N	-1	0	256.302	0.440	20	30		CCEDRM
C=CC[C@H]1CCCN(C(=O)c2cnc([O-])n(C)c2=O)C1	ZINC000617782521	365776559	/nfs/dbraw/zinc/77/65/59/365776559.db2.gz	HHRAAJPYLJSXRL-JTQLQIEISA-N	-1	0	277.324	0.914	20	30		CCEDRM
CN(CC(C)(C)C#N)C(=O)c1cnc([O-])n(C)c1=O	ZINC000353248610	529843366	/nfs/dbraw/zinc/84/33/66/529843366.db2.gz	DQDNDFBUHCLWER-UHFFFAOYSA-N	-1	0	264.285	0.108	20	30		CCEDRM
CN=c1[n-]nc(CC(=O)N[C@H]2[C@@H]3COC[C@@H]32)s1	ZINC000330063882	529834208	/nfs/dbraw/zinc/83/42/08/529834208.db2.gz	QKDBGRLKSMYUIY-KPCSLPGQSA-N	-1	0	254.315	0.146	20	30		CCEDRM
C[C@@H]1C[C@H](C)CN1C(=O)Cn1cc(C#N)c(=O)[n-]c1=O	ZINC000602113678	362496038	/nfs/dbraw/zinc/49/60/38/362496038.db2.gz	XTBRWSVRQQCPIM-DTWKUNHWSA-N	-1	0	276.296	0.077	20	30		CCEDRM
C=CCCN(C)C(=O)CCn1cc(C#N)c(=O)[n-]c1=O	ZINC000602143207	362521907	/nfs/dbraw/zinc/52/19/07/362521907.db2.gz	RQVXCULIYYTDDK-UHFFFAOYSA-N	-1	0	276.296	0.245	20	30		CCEDRM
CCO[C@H](C(=O)N=c1[n-]n(C)c(C)c1C#N)C1CC1	ZINC000602347397	362594033	/nfs/dbraw/zinc/59/40/33/362594033.db2.gz	GDFBSDVHAIKUHH-NSHDSACASA-N	-1	0	262.313	0.776	20	30		CCEDRM
CN(C)c1noc(C[N-]S(=O)(=O)c2ccc(C#N)o2)n1	ZINC000344671028	137207070	/nfs/dbraw/zinc/20/70/70/137207070.db2.gz	TVFCPZPSCLNMMA-UHFFFAOYSA-N	-1	0	297.296	0.079	20	30		CCEDRM
CC[C@@H](NC(=O)COc1ccc(C#N)cc1)C(=O)[O-]	ZINC000035096456	348155172	/nfs/dbraw/zinc/15/51/72/348155172.db2.gz	WSUDXHZSZXNGAZ-LLVKDONJSA-N	-1	0	262.265	0.916	20	30		CCEDRM
C[C@@H]1CN(C(=O)N=c2[n-]n(C)cc2C#N)C[C@H](C)[C@H]1O	ZINC000602884524	362862527	/nfs/dbraw/zinc/86/25/27/362862527.db2.gz	BWOFLECMCLMBKD-JZYVYDRUSA-N	-1	0	277.328	0.194	20	30		CCEDRM
Cn1cc(C#N)c(=NC(=O)N2C[C@H]3COC[C@@]3(C)C2)[n-]1	ZINC000602886106	362864920	/nfs/dbraw/zinc/86/49/20/362864920.db2.gz	JDGCYVPVAFWEQJ-GXFFZTMASA-N	-1	0	275.312	0.214	20	30		CCEDRM
Cn1cc(C#N)c(=NC(=O)N2CCC[C@H](F)C2)[n-]1	ZINC000602887715	362866322	/nfs/dbraw/zinc/86/63/22/362866322.db2.gz	QQCQCZYMHMLPFI-VIFPVBQESA-N	-1	0	251.265	0.679	20	30		CCEDRM
CC(=O)N1CCc2cc(C(=O)[N-]S(C)(=O)=O)ccc21	ZINC000042279504	348273000	/nfs/dbraw/zinc/27/30/00/348273000.db2.gz	KVZLNNWYKQDGRJ-UHFFFAOYSA-N	-1	0	282.321	0.860	20	30		CCEDRM
CN(C)c1cc(C(=O)Nc2nc(C#N)c(C#N)[n-]2)ccn1	ZINC000047088045	348370940	/nfs/dbraw/zinc/37/09/40/348370940.db2.gz	YIGDFSXFEOITSL-UHFFFAOYSA-N	-1	0	281.279	0.866	20	30		CCEDRM
C[C@@H](CNS(=O)(=O)c1ccc(C#N)cc1)C(=O)[O-]	ZINC000054333731	348550875	/nfs/dbraw/zinc/55/08/75/348550875.db2.gz	UZHNDMODNZMYQD-QMMMGPOBSA-N	-1	0	268.294	0.557	20	30		CCEDRM
CCCN(CC#N)C(=O)c1c[nH]c2nc(=O)[n-]c(=O)c-2c1	ZINC000056485441	348591322	/nfs/dbraw/zinc/59/13/22/348591322.db2.gz	IJHAFXVUSVSYSY-UHFFFAOYSA-N	-1	0	287.279	0.399	20	30		CCEDRM
N#Cc1ccccc1S(=O)(=O)NCC1(C(=O)[O-])CC1	ZINC000138941484	350444101	/nfs/dbraw/zinc/44/41/01/350444101.db2.gz	FFAASPDJOKKMRG-UHFFFAOYSA-N	-1	0	280.305	0.701	20	30		CCEDRM
N#Cc1nccnc1NCC1(C(=O)[O-])CCOCC1	ZINC000138149237	350440174	/nfs/dbraw/zinc/44/01/74/350440174.db2.gz	IBJKWGQEHXYCLR-UHFFFAOYSA-N	-1	0	262.269	0.642	20	30		CCEDRM
N#Cc1ccc(CS(=O)(=O)[N-]CC(F)(F)CN)cc1	ZINC000162634073	350748309	/nfs/dbraw/zinc/74/83/09/350748309.db2.gz	OMCKADVIGHABQF-UHFFFAOYSA-N	-1	0	289.307	0.572	20	30		CCEDRM
CC[C@@]1(C)NC(=O)N([N-]C(=O)c2cc(C#N)cs2)C1=O	ZINC000193167893	351814337	/nfs/dbraw/zinc/81/43/37/351814337.db2.gz	CWYCMFGJPQJUFW-GFCCVEGCSA-N	-1	0	292.320	0.985	20	30		CCEDRM
C[C@@H](NS(=O)(=O)c1ccc(C#N)nc1)[C@@H](C)C(=O)[O-]	ZINC000228698915	352080647	/nfs/dbraw/zinc/08/06/47/352080647.db2.gz	BBFBSUHUUCOYBJ-HTQZYQBOSA-N	-1	0	283.309	0.341	20	30		CCEDRM
C#C[C@@H](CCC)NS(=O)(=O)[N-]CC(F)(F)F	ZINC000229959897	352098323	/nfs/dbraw/zinc/09/83/23/352098323.db2.gz	FYPKDMUIGIBEBM-ZETCQYMHSA-N	-1	0	258.265	0.775	20	30		CCEDRM
C=CC[C@@H](CO)NC(=O)CSc1n[n-]c(=S)s1	ZINC000273494653	192175552	/nfs/dbraw/zinc/17/55/52/192175552.db2.gz	OWFRVTXTDZPKNT-LURJTMIESA-N	-1	0	291.423	0.972	20	30		CCEDRM
CCn1cc(S(=O)(=O)[N-]c2n[nH]c(C)c2C#N)cn1	ZINC000272475101	353067471	/nfs/dbraw/zinc/06/74/71/353067471.db2.gz	SEOAEHXZMIGRHF-UHFFFAOYSA-N	-1	0	280.313	0.607	20	30		CCEDRM
CCC(=O)C[C@@H](NS(=O)(=O)CCCCC#N)C(=O)[O-]	ZINC000274971637	353176064	/nfs/dbraw/zinc/17/60/64/353176064.db2.gz	ITGLFBRBBWPETG-SNVBAGLBSA-N	-1	0	290.341	0.422	20	30		CCEDRM
C=CCCS(=O)(=O)NC[C@H](Cc1cccnc1)C(=O)[O-]	ZINC000275294055	353203172	/nfs/dbraw/zinc/20/31/72/353203172.db2.gz	PTWHYPBOKXYKBQ-LBPRGKRZSA-N	-1	0	298.364	0.820	20	30		CCEDRM
N#Cc1nccnc1N1CCC[C@@H](c2n[n-]c(=O)o2)C1	ZINC000285509728	353559778	/nfs/dbraw/zinc/55/97/78/353559778.db2.gz	FVUZPDJFDPUVRO-MRVPVSSYSA-N	-1	0	272.268	0.409	20	30		CCEDRM
N#Cc1ccc(S(=O)(=O)NC2(C(=O)[O-])CC2)o1	ZINC000287527225	353651577	/nfs/dbraw/zinc/65/15/77/353651577.db2.gz	MUUHSYMZAYHJKA-UHFFFAOYSA-N	-1	0	256.239	0.047	20	30		CCEDRM
C[C@H](NS(=O)(=O)c1ccc(C#N)o1)C(=O)NC(C)(C)C	ZINC000286715659	353605929	/nfs/dbraw/zinc/60/59/29/353605929.db2.gz	SALRMAGCMACKSW-QMMMGPOBSA-N	-1	0	299.352	0.733	20	30		CCEDRM
CCN(C[C@@H](C)C(=O)[O-])S(=O)(=O)c1cncc(C#N)c1	ZINC000290757565	353747438	/nfs/dbraw/zinc/74/74/38/353747438.db2.gz	YYCHFUWTGDLWGY-SECBINFHSA-N	-1	0	297.336	0.685	20	30		CCEDRM
CSc1nc(=NC(=O)c2cc(C#N)ccn2)[n-][nH]1	ZINC000352804039	356085112	/nfs/dbraw/zinc/08/51/12/356085112.db2.gz	KGDFWWRAWZYWOY-UHFFFAOYSA-N	-1	0	260.282	0.467	20	30		CCEDRM
C[C@@H](CN(C)C(=O)c1cccc(C#N)c1)c1nnn[n-]1	ZINC000273596986	192223880	/nfs/dbraw/zinc/22/38/80/192223880.db2.gz	WQCISIVIHBUGJO-VIFPVBQESA-N	-1	0	270.296	0.947	20	30		CCEDRM
CC(C)n1cc(C#N)c(=NC(=O)c2ccn(C)c(=O)c2)[n-]1	ZINC000354899927	356524780	/nfs/dbraw/zinc/52/47/80/356524780.db2.gz	WRAQANVOCGLISS-UHFFFAOYSA-N	-1	0	285.307	0.709	20	30		CCEDRM
N#Cc1cc(C(=O)NC2(c3nnn[n-]3)CC2)ccc1F	ZINC000355026921	356552989	/nfs/dbraw/zinc/55/29/89/356552989.db2.gz	YLRHUHGKNQDKJU-UHFFFAOYSA-N	-1	0	272.243	0.630	20	30		CCEDRM
N#Cc1cccc(N2CCN(Cc3n[nH]c(=O)[n-]3)CC2)n1	ZINC000355082956	356571543	/nfs/dbraw/zinc/57/15/43/356571543.db2.gz	RRYGVKHLBZWXFV-UHFFFAOYSA-N	-1	0	285.311	0.099	20	30		CCEDRM
C=CCN(C(=O)N=c1ccc(C(=O)OC)n[n-]1)C1CC1	ZINC000619637912	366308549	/nfs/dbraw/zinc/30/85/49/366308549.db2.gz	RUJQSSDRHJTNDN-UHFFFAOYSA-N	-1	0	276.296	0.867	20	30		CCEDRM
CC[C@@H](C[C@H](C)CO)NC(=O)N=c1[n-]n(C)cc1C#N	ZINC000610564013	363577651	/nfs/dbraw/zinc/57/76/51/363577651.db2.gz	JRIHQARBQADJON-ONGXEEELSA-N	-1	0	279.344	0.632	20	30		CCEDRM
COCCOCCCCNC(=O)N=c1[n-]n(C)cc1C#N	ZINC000610564345	363579014	/nfs/dbraw/zinc/57/90/14/363579014.db2.gz	NPDODTUMLBOCMD-UHFFFAOYSA-N	-1	0	295.343	0.278	20	30		CCEDRM
N#Cc1c[n-][nH]c1=NC(=O)[C@H]1CC(=O)N(Cc2ccco2)C1	ZINC000610620408	363587124	/nfs/dbraw/zinc/58/71/24/363587124.db2.gz	BUWNYVSKRYZWRA-VIFPVBQESA-N	-1	0	299.290	0.283	20	30		CCEDRM
N#CC[C@H]1CCCN(S(=O)(=O)c2ncc[n-]2)C1	ZINC000397676530	357771977	/nfs/dbraw/zinc/77/19/77/357771977.db2.gz	RUNJARHCYYSYAQ-SECBINFHSA-N	-1	0	254.315	0.724	20	30		CCEDRM
N#Cc1ccc(C(=O)N2CCN3C(=O)CC[C@H]3C2)cc1O	ZINC000408425376	358086816	/nfs/dbraw/zinc/08/68/16/358086816.db2.gz	FUHLLBDFTUJSEX-LBPRGKRZSA-N	-1	0	285.303	0.711	20	30		CCEDRM
Cn1cc(C#N)c(=NC(=O)NCCCO[C@@H]2CCOC2)[n-]1	ZINC000610698506	363600764	/nfs/dbraw/zinc/60/07/64/363600764.db2.gz	MNSBWCGCSAMEDE-LLVKDONJSA-N	-1	0	293.327	0.031	20	30		CCEDRM
COC(=O)[C@]1(C)CCN(C(=O)N=c2[n-]n(C)cc2C#N)C1	ZINC000610744194	363606681	/nfs/dbraw/zinc/60/66/81/363606681.db2.gz	NTCMQJGGCOOEJQ-CYBMUJFWSA-N	-1	0	291.311	0.131	20	30		CCEDRM
C=C[C@H](CCC(=O)[O-])NS(=O)(=O)N(C)CC	ZINC000563867911	358558334	/nfs/dbraw/zinc/55/83/34/358558334.db2.gz	GKQDGPNNUYHWOV-MRVPVSSYSA-N	-1	0	250.320	0.192	20	30		CCEDRM
Cn1cc(C#N)c(=NC(=O)NCC2(CCO)CCC2)[n-]1	ZINC000610876827	363624674	/nfs/dbraw/zinc/62/46/74/363624674.db2.gz	MFFHUGJEXWUETD-UHFFFAOYSA-N	-1	0	277.328	0.388	20	30		CCEDRM
C=C[C@@H](C(=O)OC)N1CCC[C@H](c2n[nH]c(=O)[n-]2)C1	ZINC000588973852	359354015	/nfs/dbraw/zinc/35/40/15/359354015.db2.gz	JUECWFXSVVDDPC-IUCAKERBSA-N	-1	0	266.301	0.417	20	30		CCEDRM
CS[C@H](C)CNC(=O)N=c1[n-]n(C)cc1C#N	ZINC000611049977	363653326	/nfs/dbraw/zinc/65/33/26/363653326.db2.gz	NHVIZCTWMCEPPF-SSDOTTSWSA-N	-1	0	253.331	0.587	20	30		CCEDRM
Cn1cc(C#N)c(=NC(=O)N2CC[C@H](c3nccn3C)C2)[n-]1	ZINC000611127448	363661820	/nfs/dbraw/zinc/66/18/20/363661820.db2.gz	JLVMPSYWBIYENV-JTQLQIEISA-N	-1	0	299.338	0.469	20	30		CCEDRM
N#CC1(CC(=O)N2CCC[C@@H](c3nnn[n-]3)C2)CC1	ZINC000590312776	359438548	/nfs/dbraw/zinc/43/85/48/359438548.db2.gz	XLZJOVYQYJXTON-SECBINFHSA-N	-1	0	260.301	0.600	20	30		CCEDRM
CC(C)[C@@H]1CN(C(=O)N=c2[n-]n(C)cc2C#N)CCCO1	ZINC000590819823	359527613	/nfs/dbraw/zinc/52/76/13/359527613.db2.gz	WTTSYUJVZKCINW-LBPRGKRZSA-N	-1	0	291.355	0.992	20	30		CCEDRM
Cn1cc(C#N)c(=NC(=O)NC[C@@H]2CCCC[C@H]2O)[n-]1	ZINC000590819620	359527655	/nfs/dbraw/zinc/52/76/55/359527655.db2.gz	OOMDWWGGPIOWAX-GXSJLCMTSA-N	-1	0	277.328	0.386	20	30		CCEDRM
CC#CC[C@H](NS(=O)(=O)C[C@H](C)CC)C(=O)[O-]	ZINC000274980456	192864544	/nfs/dbraw/zinc/86/45/44/192864544.db2.gz	JPBHOMJYXXVVBQ-ZJUUUORDSA-N	-1	0	261.343	0.819	20	30		CCEDRM
CO[C@H](CS(=O)(=O)[N-]c1n[nH]cc1C#N)C(C)C	ZINC000592382130	359829685	/nfs/dbraw/zinc/82/96/85/359829685.db2.gz	JKMVXLBDXGZVMG-SECBINFHSA-N	-1	0	272.330	0.694	20	30		CCEDRM
CC[C@@H]1CC[C@@H](C(=O)[O-])N1S(=O)(=O)CC1(C#N)CC1	ZINC000592447012	359843204	/nfs/dbraw/zinc/84/32/04/359843204.db2.gz	CBROKFQNNNBJPV-ZJUUUORDSA-N	-1	0	286.353	0.948	20	30		CCEDRM
Cn1nccc1[C@H](NCc1ccc(C#N)o1)C(=O)[O-]	ZINC000592423956	359836288	/nfs/dbraw/zinc/83/62/88/359836288.db2.gz	UKTNTMFWUHVUAK-NSHDSACASA-N	-1	0	260.253	0.800	20	30		CCEDRM
Cc1c(C#N)c(=NC(=O)[C@@H](C)Cc2cnn(C)c2)[n-]n1C	ZINC000592648693	359908912	/nfs/dbraw/zinc/90/89/12/359908912.db2.gz	GZROIVQZNMOSRR-VIFPVBQESA-N	-1	0	286.339	0.573	20	30		CCEDRM
Cc1c(C#N)c(=NC(=O)[C@@H]2CCc3ncncc3C2)[n-]n1C	ZINC000592649312	359909490	/nfs/dbraw/zinc/90/94/90/359909490.db2.gz	BZLAOPROFWFDBS-SNVBAGLBSA-N	-1	0	296.334	0.556	20	30		CCEDRM
CN(CC1CCOCC1)C(=O)N=c1[n-]n(C)cc1C#N	ZINC000611245817	363697009	/nfs/dbraw/zinc/69/70/09/363697009.db2.gz	YLTMIHOZSLDFNU-UHFFFAOYSA-N	-1	0	277.328	0.604	20	30		CCEDRM
CCC1(O)CCC(NC(=O)N=c2[n-]n(C)cc2C#N)CC1	ZINC000611323053	363707826	/nfs/dbraw/zinc/70/78/26/363707826.db2.gz	SHKITKMQIBVHTF-UHFFFAOYSA-N	-1	0	291.355	0.919	20	30		CCEDRM
N#Cc1cccc(C(=O)N2CCC(c3n[nH]c(=O)[n-]3)CC2)n1	ZINC000592796236	359938534	/nfs/dbraw/zinc/93/85/34/359938534.db2.gz	XBPDHMPQCIJAON-UHFFFAOYSA-N	-1	0	298.306	0.797	20	30		CCEDRM
CC#CC[C@@H](CO)NC(=O)c1ccc([N+](=O)[O-])cc1[O-]	ZINC000592923758	359982540	/nfs/dbraw/zinc/98/25/40/359982540.db2.gz	GZQAAORHGITXHD-VIFPVBQESA-N	-1	0	278.264	0.805	20	30		CCEDRM
C[C@@H]1CC[C@H](C(=O)[O-])N1S(=O)(=O)CC1(CC#N)CC1	ZINC000593222611	360052624	/nfs/dbraw/zinc/05/26/24/360052624.db2.gz	PMKXWTYVKVOYBZ-NXEZZACHSA-N	-1	0	286.353	0.948	20	30		CCEDRM
N#CCCCS(=O)(=O)NC[C@@H](CC1CC1)C(=O)[O-]	ZINC000593276367	360059563	/nfs/dbraw/zinc/05/95/63/360059563.db2.gz	ITRVUEDJOFMOJX-SNVBAGLBSA-N	-1	0	274.342	0.710	20	30		CCEDRM
Cc1cc(=NC(=O)NC[C@@H](C)C(=O)[O-])[nH]n1CCC#N	ZINC000593962139	360223912	/nfs/dbraw/zinc/22/39/12/360223912.db2.gz	RTLAGANRRFAPNF-MRVPVSSYSA-N	-1	0	279.300	0.369	20	30		CCEDRM
C[C@@H](Cc1ccc(C#N)cc1)C(=O)NCc1nnn[n-]1	ZINC000594288362	360268699	/nfs/dbraw/zinc/26/86/99/360268699.db2.gz	VCWOBWRJFNGKPA-VIFPVBQESA-N	-1	0	270.296	0.566	20	30		CCEDRM
C[C@@H](Cc1ccc(C#N)cc1)C(=O)NCc1n[nH]c(=O)[n-]1	ZINC000594307187	360271141	/nfs/dbraw/zinc/27/11/41/360271141.db2.gz	HCNGPAHNKXYMCR-VIFPVBQESA-N	-1	0	285.307	0.877	20	30		CCEDRM
C[C@H](Cc1ccc(C#N)cc1)C(=O)NCc1n[n-]c(=N)o1	ZINC000594343542	360277912	/nfs/dbraw/zinc/27/79/12/360277912.db2.gz	QUMSCUFKXWOTER-SECBINFHSA-N	-1	0	285.307	0.849	20	30		CCEDRM
CC(C)[C@H](C#N)N1CCN(Cc2n[nH]c(=O)[n-]2)CC1	ZINC000611432240	363718368	/nfs/dbraw/zinc/71/83/68/363718368.db2.gz	XIJYKEHGRFAATK-JTQLQIEISA-N	-1	0	264.333	0.176	20	30		CCEDRM
C[C@H](CNC(=O)NCCOc1ccc(C#N)cc1)C(=O)[O-]	ZINC000594527799	360326590	/nfs/dbraw/zinc/32/65/90/360326590.db2.gz	GRYQAJOYLKCPJU-SNVBAGLBSA-N	-1	0	291.307	0.957	20	30		CCEDRM
C[C@H](CNC(=O)C(=O)NCc1cccc(C#N)c1)C(=O)[O-]	ZINC000594539597	360326875	/nfs/dbraw/zinc/32/68/75/360326875.db2.gz	PBWYEIGDMITRNB-SECBINFHSA-N	-1	0	289.291	0.011	20	30		CCEDRM
C[C@H](CN(C)C(=O)CC1(C#N)CCOCC1)C(=O)[O-]	ZINC000595281556	360477414	/nfs/dbraw/zinc/47/74/14/360477414.db2.gz	MVKLXBXIURITOV-SNVBAGLBSA-N	-1	0	268.313	0.876	20	30		CCEDRM
C[C@@]1(C#N)CCN(Cc2cc(=O)n3[n-]ccc3n2)C1	ZINC000595841243	360675823	/nfs/dbraw/zinc/67/58/23/360675823.db2.gz	UIHUWRRNXSFETJ-ZDUSSCGKSA-N	-1	0	257.297	0.758	20	30		CCEDRM
C=CCCSCCNC(=O)[C@](C)(OC)C(=O)[O-]	ZINC000596002158	360773452	/nfs/dbraw/zinc/77/34/52/360773452.db2.gz	VYRDVDBKEUXHPN-NSHDSACASA-N	-1	0	261.343	0.902	20	30		CCEDRM
C[C@@H](NC(=O)N=c1[nH]n(C)cc1C#N)C1=CC[N@H+](C)CC1	ZINC000611596446	363748568	/nfs/dbraw/zinc/74/85/68/363748568.db2.gz	OFBFWLXGFZTGFQ-SNVBAGLBSA-N	-1	0	288.355	0.486	20	30		CCEDRM
CCN(C(=O)c1cc(S(N)(=O)=O)ccc1[O-])[C@@H](C)C#N	ZINC000598349444	361393818	/nfs/dbraw/zinc/39/38/18/361393818.db2.gz	KKBMRDFAIPTNSL-QMMMGPOBSA-N	-1	0	297.336	0.414	20	30		CCEDRM
N#Cc1nc(NCc2n[nH]c(=O)[n-]2)ccc1Cl	ZINC000301631359	201105965	/nfs/dbraw/zinc/10/59/65/201105965.db2.gz	TZYQTNSDQABKPP-UHFFFAOYSA-N	-1	0	250.649	0.630	20	30		CCEDRM
Cc1[n-][nH]c(=NC(=O)c2ccc(N3CCC3)nc2)c1C#N	ZINC000598699469	361489689	/nfs/dbraw/zinc/48/96/89/361489689.db2.gz	IWDCPVRYIOFPMV-UHFFFAOYSA-N	-1	0	282.307	0.869	20	30		CCEDRM
CC(C)(CC#N)CNC(=O)c1c[n-]n2c1nccc2=O	ZINC000598741224	361504857	/nfs/dbraw/zinc/50/48/57/361504857.db2.gz	WVEIVVVQFZAWDA-UHFFFAOYSA-N	-1	0	273.296	0.692	20	30		CCEDRM
COC(=O)c1cc(S(=O)(=O)[N-][C@H](C)CC#N)on1	ZINC000599225323	361615217	/nfs/dbraw/zinc/61/52/17/361615217.db2.gz	IFAPYJVLJSFZAH-ZCFIWIBFSA-N	-1	0	273.270	0.042	20	30		CCEDRM
CC[C@@](C)(C#N)NC(=O)c1ccc([N-]S(C)(=O)=O)nc1	ZINC000599233215	361616572	/nfs/dbraw/zinc/61/65/72/361616572.db2.gz	OMYCLVITVJNONK-LBPRGKRZSA-N	-1	0	296.352	0.875	20	30		CCEDRM
Cn1cc([N+](=O)[O-])c(S(=O)(=O)[N-]CCCCC#N)n1	ZINC000599230251	361616680	/nfs/dbraw/zinc/61/66/80/361616680.db2.gz	OAFVZJZUYCDUDB-UHFFFAOYSA-N	-1	0	287.301	0.300	20	30		CCEDRM
COCCC(C)(C)CNC(=O)N=c1[n-]n(C)cc1C#N	ZINC000612752076	364007895	/nfs/dbraw/zinc/00/78/95/364007895.db2.gz	VRYIMZGJPVUSHB-UHFFFAOYSA-N	-1	0	279.344	0.898	20	30		CCEDRM
C=C[C@](C)(O)C(=O)N1CCC(c2n[nH]c(=O)[n-]2)CC1	ZINC000614260164	364552001	/nfs/dbraw/zinc/55/20/01/364552001.db2.gz	RQBBPGGSSFXART-LBPRGKRZSA-N	-1	0	266.301	0.153	20	30		CCEDRM
CN(CCC#N)S(=O)(=O)N1CCCCC[C@@H]1C(=O)[O-]	ZINC000614381827	364589331	/nfs/dbraw/zinc/58/93/31/364589331.db2.gz	RHYMGAKNCOPNGS-SNVBAGLBSA-N	-1	0	289.357	0.406	20	30		CCEDRM
C=CC(C)(C)C(=O)Nc1nn2c([n-]1)nc(C)cc2=O	ZINC000622870369	367379304	/nfs/dbraw/zinc/37/93/04/367379304.db2.gz	ZYZWPMKJGJXDLO-UHFFFAOYSA-N	-1	0	261.285	0.877	20	30		CCEDRM
C=CCN(C)C(=O)c1ccc([N-]S(C)(=O)=O)nc1	ZINC000626518396	368571080	/nfs/dbraw/zinc/57/10/80/368571080.db2.gz	KVPASEWPAFWPNP-UHFFFAOYSA-N	-1	0	269.326	0.711	20	30		CCEDRM
N#Cc1c[n-]c(=O)n(Cc2ccn(CC(F)(F)F)n2)c1=O	ZINC000574277267	335006331	/nfs/dbraw/zinc/00/63/31/335006331.db2.gz	UFFNETREJMSORS-UHFFFAOYSA-N	-1	0	299.212	0.215	20	30		CCEDRM
C=CC(C)(C)CCNC(=O)c1cnc([O-])n(C)c1=O	ZINC000628315366	369239779	/nfs/dbraw/zinc/23/97/79/369239779.db2.gz	IYRZBBZICHFVPJ-UHFFFAOYSA-N	-1	0	265.313	0.818	20	30		CCEDRM
C=CCOC[C@H](NC(=O)c1ncoc1C)C(=O)[O-]	ZINC000630186884	369995982	/nfs/dbraw/zinc/99/59/82/369995982.db2.gz	ZJPAYTNEGRNSPM-QMMMGPOBSA-N	-1	0	254.242	0.369	20	30		CCEDRM
C=CCOC[C@H](NC(=O)[C@H](C)Cc1c[nH]cn1)C(=O)[O-]	ZINC000630188049	369997278	/nfs/dbraw/zinc/99/72/78/369997278.db2.gz	UJGGTSDMXZBVAB-KOLCDFICSA-N	-1	0	281.312	0.360	20	30		CCEDRM
C=CCOC[C@@H](NC(=O)c1cnn(C(F)F)c1)C(=O)[O-]	ZINC000630188104	369997353	/nfs/dbraw/zinc/99/73/53/369997353.db2.gz	URBKCBROKWKOPV-MRVPVSSYSA-N	-1	0	289.238	0.664	20	30		CCEDRM
C=CCOC[C@H](NC(=O)[C@@H](C)Cc1c[nH]cn1)C(=O)[O-]	ZINC000630188052	369997415	/nfs/dbraw/zinc/99/74/15/369997415.db2.gz	UJGGTSDMXZBVAB-ONGXEEELSA-N	-1	0	281.312	0.360	20	30		CCEDRM
C=C(C)C[C@H](NC(=O)CCCS(C)(=O)=O)C(=O)[O-]	ZINC000630319963	370045758	/nfs/dbraw/zinc/04/57/58/370045758.db2.gz	LZEIRGGMGKQUEH-VIFPVBQESA-N	-1	0	277.342	0.347	20	30		CCEDRM
C=C(C)C[C@H](NC(=O)c1nn(C)cc1C)C(=O)[O-]	ZINC000630320701	370045781	/nfs/dbraw/zinc/04/57/81/370045781.db2.gz	AEQOLHWRMMWKFH-VIFPVBQESA-N	-1	0	251.286	0.878	20	30		CCEDRM
C=C(C)C[C@H](NC(=O)Cc1ccnn1C)C(=O)[O-]	ZINC000630321769	370046928	/nfs/dbraw/zinc/04/69/28/370046928.db2.gz	MWZDWZMVAREOMH-JTQLQIEISA-N	-1	0	251.286	0.498	20	30		CCEDRM
C=C(C)[C@H]1OCC[C@@H]1CNC(=O)[C@H]1C[C@@H](C)[C@H](C(=O)[O-])O1	ZINC000630303463	370037397	/nfs/dbraw/zinc/03/73/97/370037397.db2.gz	YEHNVTITSXDGKJ-SYLRKERUSA-N	-1	0	297.351	0.962	20	30		CCEDRM
C=CCCOCCNC(=O)CC1(C(=O)[O-])CCOCC1	ZINC000630169734	369984190	/nfs/dbraw/zinc/98/41/90/369984190.db2.gz	FPVLVBDUQXEIAS-UHFFFAOYSA-N	-1	0	285.340	0.967	20	30		CCEDRM
C=CCC[C@@H](NC(=O)[C@@H]1COCCN1CC)C(=O)[O-]	ZINC000630181377	369993985	/nfs/dbraw/zinc/99/39/85/369993985.db2.gz	IUTUFWXNBVRJIW-MNOVXSKESA-N	-1	0	270.329	0.243	20	30		CCEDRM
C=C(C)C[C@@H](NS(=O)(=O)N1CCCC1)C(=O)[O-]	ZINC000630438215	370115848	/nfs/dbraw/zinc/11/58/48/370115848.db2.gz	NIAFRQRPIGJBRM-SECBINFHSA-N	-1	0	262.331	0.336	20	30		CCEDRM
C=CCn1cc(C(=O)NC[C@@]2(C(=O)[O-])CCCOC2)nn1	ZINC000630340196	370050925	/nfs/dbraw/zinc/05/09/25/370050925.db2.gz	ODGJMUSMIQDBQR-ZDUSSCGKSA-N	-1	0	294.311	0.075	20	30		CCEDRM
CC#CC[C@H](CO)NS(=O)(=O)c1cc([O-])cc(F)c1	ZINC000632506167	371109844	/nfs/dbraw/zinc/10/98/44/371109844.db2.gz	SKCTWSREKJTOCY-SNVBAGLBSA-N	-1	0	287.312	0.584	20	30		CCEDRM
CC[C@@H](C(=O)[O-])N(C)S(=O)(=O)N(C)C[C@@H](C)C#N	ZINC000574404752	335016966	/nfs/dbraw/zinc/01/69/66/335016966.db2.gz	SGYNQSSPCYVWCT-IUCAKERBSA-N	-1	0	277.346	0.118	20	30		CCEDRM
C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)C[C@]1(C(=O)[O-])CCOC1	ZINC000656483277	412811690	/nfs/dbraw/zinc/81/16/90/412811690.db2.gz	VGXCEZASCQIMIW-OSAQELSMSA-N	-1	0	297.351	0.965	20	30		CCEDRM
C=CCOCCCNC(=O)N[C@@H](CC(F)F)C(=O)[O-]	ZINC000656594876	412833748	/nfs/dbraw/zinc/83/37/48/412833748.db2.gz	AMQUJVKETKTXKF-QMMMGPOBSA-N	-1	0	280.271	0.987	20	30		CCEDRM
C=CCCO[C@@H](C)C(=O)N[C@@](C)(COC)C(=O)[O-]	ZINC000262047897	190047710	/nfs/dbraw/zinc/04/77/10/190047710.db2.gz	FBURFJBRMUIZBW-CABZTGNLSA-N	-1	0	259.302	0.574	20	30		CCEDRM
C=CCOCCCC(=O)N1C[C@@H](C)O[C@@H](C(=O)[O-])C1	ZINC000262287333	190052195	/nfs/dbraw/zinc/05/21/95/190052195.db2.gz	ZTNBWSFKVJKOCY-GHMZBOCLSA-N	-1	0	271.313	0.670	20	30		CCEDRM
C=C(C)CN(CC)C(=O)N=c1ccc(C(=O)NC)n[n-]1	ZINC000640323002	376315047	/nfs/dbraw/zinc/31/50/47/376315047.db2.gz	COADIZDXZKQULU-UHFFFAOYSA-N	-1	0	277.328	0.688	20	30		CCEDRM
COc1cc(C#N)ccc1S(=O)(=O)N1CC[C@H]1C(=O)[O-]	ZINC000569186133	291657092	/nfs/dbraw/zinc/65/70/92/291657092.db2.gz	PVDZUYURMXFQSZ-VIFPVBQESA-N	-1	0	296.304	0.414	20	30		CCEDRM
N#Cc1nc(NC(=O)c2ccc(C#N)cn2)[n-]c1C#N	ZINC000518610662	249256303	/nfs/dbraw/zinc/25/63/03/249256303.db2.gz	SJMLPDMSEZZAQE-UHFFFAOYSA-N	-1	0	263.220	0.672	20	30		CCEDRM
CC(C)[C@@H](CO)C/N=C(/[O-])c1cnc2n(c1=O)CCS2	ZINC000330676098	335038610	/nfs/dbraw/zinc/03/86/10/335038610.db2.gz	JWHCTDHERUFVGK-SECBINFHSA-N	-1	0	297.380	0.918	20	30		CCEDRM
C=C(C)CN(CC)C(=O)c1cnc([O-])n(C)c1=O	ZINC000267723230	190350398	/nfs/dbraw/zinc/35/03/98/190350398.db2.gz	VQIURXFCDBQHPW-UHFFFAOYSA-N	-1	0	251.286	0.524	20	30		CCEDRM
C#C[C@H](C)NC(=O)[C@H](C)NS(=O)(=O)c1ccccc1F	ZINC000186016417	388820233	/nfs/dbraw/zinc/82/02/33/388820233.db2.gz	NIJLEBMTWXWOCF-UWVGGRQHSA-N	-1	0	298.339	0.630	20	30		CCEDRM
COC(=O)N[N-]S(=O)(=O)c1ccc(F)cc1C	ZINC000042665817	388867438	/nfs/dbraw/zinc/86/74/38/388867438.db2.gz	NIDXIOXBFDVJSO-UHFFFAOYSA-N	-1	0	262.262	0.888	20	30		CCEDRM
C=C[C@H](CO)NS(=O)(=O)c1ccc(C)cc1F	ZINC000290261762	388902414	/nfs/dbraw/zinc/90/24/14/388902414.db2.gz	SQGLAOBSUJSVQS-SECBINFHSA-N	-1	0	259.302	0.959	20	30		CCEDRM
N#C[C@@]1(NC(=O)c2nn(-c3ccccc3)cc2[O-])CCOC1	ZINC000358444515	389150916	/nfs/dbraw/zinc/15/09/16/389150916.db2.gz	MNPDJKGQUFORTP-HNNXBMFYSA-N	-1	0	298.302	0.990	20	30		CCEDRM
C[C@@]1(C(=O)[N-]S(=O)(=O)c2cccc(C#N)c2)CCCO1	ZINC000408480135	389363574	/nfs/dbraw/zinc/36/35/74/389363574.db2.gz	CIMVWLCOGLFEFC-ZDUSSCGKSA-N	-1	0	294.332	0.932	20	30		CCEDRM
N#Cc1cccc(S(=O)(=O)[N-]C(=O)[C@H]2CCCOC2)c1	ZINC000171033795	389470187	/nfs/dbraw/zinc/47/01/87/389470187.db2.gz	BQQUVYCBFUCNTN-NSHDSACASA-N	-1	0	294.332	0.790	20	30		CCEDRM
N#CC1(CS(=O)(=O)NCC(=O)N2CCCC2)CCC1	ZINC000349721081	389426481	/nfs/dbraw/zinc/42/64/81/389426481.db2.gz	LVORDXATEUIVFM-UHFFFAOYSA-N	-1	0	285.369	0.222	20	30		CCEDRM
C=C[C@H](CO)NS(=O)(=O)c1cncc(Cl)c1	ZINC000349780373	389433239	/nfs/dbraw/zinc/43/32/39/389433239.db2.gz	BSZLATAFLZAVNT-MRVPVSSYSA-N	-1	0	262.718	0.560	20	30		CCEDRM
N#Cc1cccc(NC(=O)C(=O)N2CCC[C@@H]2C(=O)[O-])c1	ZINC000422659703	389451966	/nfs/dbraw/zinc/45/19/66/389451966.db2.gz	IMEMFBVJPXIJHZ-LLVKDONJSA-N	-1	0	287.275	0.572	20	30		CCEDRM
N#CCCCS(=O)(=O)N1CSC[C@H]1C(=O)[O-]	ZINC000275048332	389509424	/nfs/dbraw/zinc/50/94/24/389509424.db2.gz	WPEXNVCJVRVZEZ-ZETCQYMHSA-N	-1	0	264.328	0.079	20	30		CCEDRM
Cn1cccc1C(=O)C(=O)Nc1nc(C#N)c(C#N)[n-]1	ZINC000351251417	389570332	/nfs/dbraw/zinc/57/03/32/389570332.db2.gz	LMUBOHLVIBVBLL-UHFFFAOYSA-N	-1	0	268.236	0.313	20	30		CCEDRM
N#Cc1c[n-]c(=O)n(C[C@@H]2CCC(F)(F)C2)c1=O	ZINC000335480854	389570411	/nfs/dbraw/zinc/57/04/11/389570411.db2.gz	XPYDLMUVNSURBV-SSDOTTSWSA-N	-1	0	255.224	0.844	20	30		CCEDRM
N#Cc1nc(NC(=O)c2cnn(CCF)c2)[n-]c1C#N	ZINC000351308174	389573003	/nfs/dbraw/zinc/57/30/03/389573003.db2.gz	VIXKOPNRWSNHIE-UHFFFAOYSA-N	-1	0	273.231	0.571	20	30		CCEDRM
C=CCCN(C)C(=O)N=c1ncn(CC(=O)OCC)[n-]1	ZINC000425720467	389655407	/nfs/dbraw/zinc/65/54/07/389655407.db2.gz	YMQVUETWMPTLCD-UHFFFAOYSA-N	-1	0	281.316	0.303	20	30		CCEDRM
Cc1[nH]nc([N-]S(=O)(=O)c2cncc(F)c2)c1C#N	ZINC000351701355	389659885	/nfs/dbraw/zinc/65/98/85/389659885.db2.gz	WPZFFCOLHASOKU-UHFFFAOYSA-N	-1	0	281.272	0.925	20	30		CCEDRM
N#Cc1nc(NCCc2nc(=N)[n-]o2)ccc1Cl	ZINC000444071813	389889564	/nfs/dbraw/zinc/88/95/64/389889564.db2.gz	NAOBTELQOQGGLM-UHFFFAOYSA-N	-1	0	264.676	0.479	20	30		CCEDRM
C=C(C)CN(CC)C(=O)C(=O)N=c1ncn(C(C)(C)C)[n-]1	ZINC000445931944	389928014	/nfs/dbraw/zinc/92/80/14/389928014.db2.gz	IESAIFLTDXOBCD-UHFFFAOYSA-N	-1	0	293.371	0.818	20	30		CCEDRM
N#Cc1ccc(C2(C(=O)NCc3n[nH]c(=O)[n-]3)CC2)cc1	ZINC000440476438	390037643	/nfs/dbraw/zinc/03/76/43/390037643.db2.gz	VPBZAVPPVDJIQC-UHFFFAOYSA-N	-1	0	283.291	0.730	20	30		CCEDRM
N#Cc1ncn(CCNC(=O)c2cc(F)c([O-])c(F)c2)n1	ZINC000436659688	389981745	/nfs/dbraw/zinc/98/17/45/389981745.db2.gz	SORTVEDSWMDFTO-UHFFFAOYSA-N	-1	0	293.233	0.564	20	30		CCEDRM
C=CCN(Cc1ccccc1)C(=O)C(=O)NCCC(=O)[O-]	ZINC000420598488	390015303	/nfs/dbraw/zinc/01/53/03/390015303.db2.gz	LFLHDXDDXZYGHU-UHFFFAOYSA-N	-1	0	290.319	0.792	20	30		CCEDRM
C=CC1CCN(C(=O)C(=O)NCCC(=O)[O-])CC1	ZINC000420602152	390016166	/nfs/dbraw/zinc/01/61/66/390016166.db2.gz	RVCKRZJOAKUMKJ-UHFFFAOYSA-N	-1	0	254.286	0.002	20	30		CCEDRM
CC#CCS(=O)(=O)[N-]C(=O)/C=C/c1cncc(C)c1	ZINC000493020091	390118759	/nfs/dbraw/zinc/11/87/59/390118759.db2.gz	GSHXYLLVMNMBJE-AATRIKPKSA-N	-1	0	278.333	0.873	20	30		CCEDRM
C=CCn1cc(C(=O)N2C[C@H](C(=O)[O-])CC[C@@H]2C)nn1	ZINC000647743009	390156335	/nfs/dbraw/zinc/15/63/35/390156335.db2.gz	SZEVIYRCPAVTFA-VHSXEESVSA-N	-1	0	278.312	0.789	20	30		CCEDRM
CC#CC[C@@H](NS(=O)(=O)[C@@H](C)CCOC)C(=O)[O-]	ZINC000541001064	390233382	/nfs/dbraw/zinc/23/33/82/390233382.db2.gz	UPOQIEJERSJRSM-VHSXEESVSA-N	-1	0	277.342	0.197	20	30		CCEDRM
CC#CC[C@H](CO)N=c1nc([C@H](C)OC)[n-]s1	ZINC000645407328	390422214	/nfs/dbraw/zinc/42/22/14/390422214.db2.gz	SBZRDJOYJGOFRV-DTWKUNHWSA-N	-1	0	255.343	0.854	20	30		CCEDRM
C=CCN(CC(=O)[O-])S(=O)(=O)[C@H]1CCO[C@H]1C	ZINC000518764960	390494290	/nfs/dbraw/zinc/49/42/90/390494290.db2.gz	DWFDRIFZXGTAGF-IUCAKERBSA-N	-1	0	263.315	0.066	20	30		CCEDRM
C=CCOC[C@@H](NC(=O)[C@@H](CC)OCC)C(=O)[O-]	ZINC000519585196	390512891	/nfs/dbraw/zinc/51/28/91/390512891.db2.gz	QBESMDVQVSEBLU-NXEZZACHSA-N	-1	0	259.302	0.574	20	30		CCEDRM
C=CCC[C@@H](NS(=O)(=O)C[C@H](C)OC)C(=O)[O-]	ZINC000516179295	390480003	/nfs/dbraw/zinc/48/00/03/390480003.db2.gz	KJDWQZLKOOLKII-DTWKUNHWSA-N	-1	0	265.331	0.360	20	30		CCEDRM
C=CC[C@@H](NS(=O)(=O)c1cnccc1C)C(=O)[O-]	ZINC000646041048	390580333	/nfs/dbraw/zinc/58/03/33/390580333.db2.gz	LHMZJSFSYKEQIU-SECBINFHSA-N	-1	0	270.310	0.698	20	30		CCEDRM
C=CCOC[C@H](NC(=O)N[C@@H]1C[C@@H]2OCCC[C@@H]12)C(=O)[O-]	ZINC000570172465	390717422	/nfs/dbraw/zinc/71/74/22/390717422.db2.gz	YSQXMDIQFLZNCV-USZNOCQGSA-N	-1	0	298.339	0.509	20	30		CCEDRM
CC[C@]1(C(=O)[O-])CCCN1S(=O)(=O)CC1(C#N)CC1	ZINC000526060720	390674996	/nfs/dbraw/zinc/67/49/96/390674996.db2.gz	SKLDXZJLBMACKK-GFCCVEGCSA-N	-1	0	286.353	0.949	20	30		CCEDRM
C=CCS(=O)(=O)[N-]C(=O)[C@H]1C[C@]1(C)Br	ZINC000528974461	390785980	/nfs/dbraw/zinc/78/59/80/390785980.db2.gz	VIMWMSSLOSJSSA-SVRRBLITSA-N	-1	0	282.159	0.792	20	30		CCEDRM
N#Cc1nc(NC(=O)[C@H]2CC23CCOCC3)[n-]c1C#N	ZINC000530657274	390877273	/nfs/dbraw/zinc/87/72/73/390877273.db2.gz	CSCCZFXBVWWSFE-MRVPVSSYSA-N	-1	0	271.280	0.908	20	30		CCEDRM
C=CCC[C@H](NC(=O)Nc1cc(C)on1)C(=O)[O-]	ZINC000647610737	390850888	/nfs/dbraw/zinc/85/08/88/390850888.db2.gz	KNFLHQNVUPYVOK-QMMMGPOBSA-N	-1	0	253.258	0.946	20	30		CCEDRM
CCC1(C(=O)N2CC(n3cc(C#N)c(=O)[n-]c3=O)C2)CC1	ZINC000530270295	285587092	/nfs/dbraw/zinc/58/70/92/285587092.db2.gz	DUIKSLCNJDHNDK-UHFFFAOYSA-N	-1	0	288.307	0.394	20	30		CCEDRM
C[C@H](Oc1ccc(C#N)cc1)C(=O)NC1(c2nnn[n-]2)CC1	ZINC000357092918	144059660	/nfs/dbraw/zinc/05/96/60/144059660.db2.gz	CUFSLMAPVDEBPX-VIFPVBQESA-N	-1	0	298.306	0.644	20	30		CCEDRM
Cc1[n-][nH]c(=NC(=O)[C@H]2CCn3cncc3C2)c1C#N	ZINC000357250307	144074136	/nfs/dbraw/zinc/07/41/36/144074136.db2.gz	YOVNILSQLFUXPR-VIFPVBQESA-N	-1	0	270.296	0.409	20	30		CCEDRM
COC(=O)c1cc(C(=O)N=c2[nH][n-]c(C)c2C#N)ccn1	ZINC000357263893	144075984	/nfs/dbraw/zinc/07/59/84/144075984.db2.gz	UZKQVKRNOYRXOM-UHFFFAOYSA-N	-1	0	285.263	0.446	20	30		CCEDRM
C[C@@]1(C(=O)[N-]S(=O)(=O)c2cncc(C#N)c2)CCCO1	ZINC000408486957	144476414	/nfs/dbraw/zinc/47/64/14/144476414.db2.gz	KSHSXHAJFPNLBS-LBPRGKRZSA-N	-1	0	295.320	0.327	20	30		CCEDRM
C=C(C)CS(=O)(=O)N[C@@H](CC1(OC)CCC1)C(=O)[O-]	ZINC000650433792	397719686	/nfs/dbraw/zinc/71/96/86/397719686.db2.gz	JZZXXLVYMIWVQI-JTQLQIEISA-N	-1	0	291.369	0.894	20	30		CCEDRM
Cc1cc(C#N)cnc1C(=O)N1CCC[C@H](c2nnn[n-]2)C1	ZINC000551903386	286134640	/nfs/dbraw/zinc/13/46/40/286134640.db2.gz	QRBLLRDJHDBAAO-NSHDSACASA-N	-1	0	297.322	0.795	20	30		CCEDRM
C=CCn1cc(C(=O)N2CC[C@H](C(=O)[O-])[C@H](C)C2)nn1	ZINC000659225229	413344300	/nfs/dbraw/zinc/34/43/00/413344300.db2.gz	HJUFJUGZMNVSLX-ZJUUUORDSA-N	-1	0	278.312	0.647	20	30		CCEDRM
C=C[C@H]1CCCCN1C(=O)C(=O)N=c1ncn(C(C)C)[n-]1	ZINC000651759938	411931086	/nfs/dbraw/zinc/93/10/86/411931086.db2.gz	IJTFSRPPJLVCMM-NSHDSACASA-N	-1	0	291.355	0.787	20	30		CCEDRM
N#Cc1ccc(C(=O)N2C[C@H](O)C[C@@H]2C(=O)[O-])cc1	ZINC000022220017	171377057	/nfs/dbraw/zinc/37/70/57/171377057.db2.gz	CUHQFNLFCMGGLQ-GHMZBOCLSA-N	-1	0	260.249	0.218	20	30		CCEDRM
C=CCN(C)C(=O)C(=O)NCC1(C(=O)[O-])CCC1	ZINC000659668252	413762382	/nfs/dbraw/zinc/76/23/82/413762382.db2.gz	UWBASRPPQXNEHR-UHFFFAOYSA-N	-1	0	254.286	0.002	20	30		CCEDRM
N#Cc1cccc(CS(=O)(=O)NCCCC(=O)[O-])c1	ZINC000037461935	173224929	/nfs/dbraw/zinc/22/49/29/173224929.db2.gz	LKZLYVOHVROYIW-UHFFFAOYSA-N	-1	0	282.321	0.842	20	30		CCEDRM
CCN(C[C@@H](C)C#N)S(=O)(=O)c1n[nH]cc1C(=O)[O-]	ZINC000037838204	173795248	/nfs/dbraw/zinc/79/52/48/173795248.db2.gz	ILXAPNDZGCKMME-ZETCQYMHSA-N	-1	0	286.313	0.278	20	30		CCEDRM
C=C(C)CS(=O)(=O)N[C@H]1[C@@H]2CC[C@@H](C2)[C@H]1C(=O)[O-]	ZINC000663434233	415064928	/nfs/dbraw/zinc/06/49/28/415064928.db2.gz	IDWZOBZUJYDBKJ-ZDCRXTMVSA-N	-1	0	273.354	0.981	20	30		CCEDRM
C=CCN(C(=O)C(=O)NC[C@H](C(=O)[O-])C1CCC1)C1CC1	ZINC000663634535	415100549	/nfs/dbraw/zinc/10/05/49/415100549.db2.gz	DXUVHHZCYOSJKX-LBPRGKRZSA-N	-1	0	294.351	0.781	20	30		CCEDRM
Cc1nnc([C@H]2CN(C(=O)N=c3cn[n-]s3)CCO2)[nH]1	ZINC000330269299	228086471	/nfs/dbraw/zinc/08/64/71/228086471.db2.gz	RUXRRXCNJOAAGH-SSDOTTSWSA-N	-1	0	295.328	0.584	20	30		CCEDRM
CSc1nc(=NC(=O)N[C@H]2[C@@H]3COC[C@@H]32)s[n-]1	ZINC000330356067	228164139	/nfs/dbraw/zinc/16/41/39/228164139.db2.gz	RGHGOTUYXLMBNX-FMCRUOTFSA-N	-1	0	272.355	0.653	20	30		CCEDRM
CC[C@H](C#N)S(=O)(=O)[N-]c1cccc(C(N)=O)c1	ZINC000229899670	261235722	/nfs/dbraw/zinc/23/57/22/261235722.db2.gz	VSNJVNSDMYKZTG-SNVBAGLBSA-N	-1	0	267.310	0.829	20	30		CCEDRM
N#C[C@H]1CN(C(=O)c2ccc([N+](=O)[O-])c([O-])c2)CCO1	ZINC000106292489	261369203	/nfs/dbraw/zinc/36/92/03/261369203.db2.gz	ALZSCYKNFAQODB-VIFPVBQESA-N	-1	0	277.236	0.665	20	30		CCEDRM
C=CCN(Cc1ccccc1)C(=O)C(=O)N=c1ncn(C)[n-]1	ZINC000339920861	262694171	/nfs/dbraw/zinc/69/41/71/262694171.db2.gz	GYYJCTAXIDXNPU-UHFFFAOYSA-N	-1	0	299.334	0.390	20	30		CCEDRM
N#CCCCCS(=O)(=O)N[C@H]1C=C[C@H](C(=O)[O-])C1	ZINC000275085083	263032573	/nfs/dbraw/zinc/03/25/73/263032573.db2.gz	ZLGHORXBHWDOKS-UWVGGRQHSA-N	-1	0	272.326	0.629	20	30		CCEDRM
CC(C)Cc1n[n-]c(=NC(=O)N[C@@H]2CCCNC2=O)s1	ZINC000330425027	263936648	/nfs/dbraw/zinc/93/66/48/263936648.db2.gz	HTSNRWYXXKQFHS-MRVPVSSYSA-N	-1	0	297.384	0.763	20	30		CCEDRM
CS(=O)(=O)[N-]c1ccccc1C(=O)N[C@@H]1CNC(=O)C1	ZINC000330723343	264025011	/nfs/dbraw/zinc/02/50/11/264025011.db2.gz	DANPTXLPKSAFHH-QMMMGPOBSA-N	-1	0	297.336	0.251	20	30		CCEDRM
Cn1cccc(N/C([O-])=N/CC(=O)N2CCCC2)c1=O	ZINC000330874779	264060157	/nfs/dbraw/zinc/06/01/57/264060157.db2.gz	UBXGCWRMDRTHAM-UHFFFAOYSA-N	-1	0	278.312	0.334	20	30		CCEDRM
C=CC[C@H](NS(=O)(=O)c1c[nH]nc1C)C(=O)[O-]	ZINC000161287988	264279219	/nfs/dbraw/zinc/27/92/19/264279219.db2.gz	XNEOOZYOHQQGHM-ZETCQYMHSA-N	-1	0	259.287	0.026	20	30		CCEDRM
C=CCNC(=O)CN(C)Cc1nc(=O)c2sccc2[n-]1	ZINC000131866727	264381283	/nfs/dbraw/zinc/38/12/83/264381283.db2.gz	OKXATBVUKGCAFY-UHFFFAOYSA-N	-1	0	292.364	0.719	20	30		CCEDRM
C#CCO[N-]C(=O)[C@H]1CCCCN1C(=O)C(C)C	ZINC000291353262	264822504	/nfs/dbraw/zinc/82/25/04/264822504.db2.gz	XLEUDTTZNHQCJR-LLVKDONJSA-N	-1	0	252.314	0.705	20	30		CCEDRM
C[C@H](C#N)CN(C)C(=O)C(=O)Nc1cccc(C(=O)[O-])c1	ZINC000519770233	265602062	/nfs/dbraw/zinc/60/20/62/265602062.db2.gz	KNZBPJONLKNABN-SECBINFHSA-N	-1	0	289.291	0.941	20	30		CCEDRM
N#C[C@@H]1CN(C(=O)N=c2[n-]nc(C(F)F)s2)CCO1	ZINC000358351117	266456514	/nfs/dbraw/zinc/45/65/14/266456514.db2.gz	JVOFQOPKABXBND-RXMQYKEDSA-N	-1	0	289.267	0.654	20	30		CCEDRM
C[C@H](CC(=O)Nc1nc(C#N)c(C#N)[n-]1)n1cccn1	ZINC000425145821	533692271	/nfs/dbraw/zinc/69/22/71/533692271.db2.gz	OTDGSOBYFZFYAB-MRVPVSSYSA-N	-1	0	269.268	0.939	20	30		CCEDRM
C[C@@]1(NC(=O)c2cccn3c([O-])nnc23)CCOC1	ZINC000329338266	289124568	/nfs/dbraw/zinc/12/45/68/289124568.db2.gz	MZXMOSJQASOMEC-GFCCVEGCSA-N	-1	0	262.269	0.919	20	30		CCEDRM
N#Cc1nc(NC(=O)[C@H]2CCCc3n[nH]cc32)[n-]c1C#N	ZINC000136037289	303216315	/nfs/dbraw/zinc/21/63/15/303216315.db2.gz	HFMCCDKUBDBXCD-ZETCQYMHSA-N	-1	0	281.279	0.935	20	30		CCEDRM
C=C(C)CCNS(=O)(=O)c1cc(C(=O)[O-])n(C)c1	ZINC000395258583	328734054	/nfs/dbraw/zinc/73/40/54/328734054.db2.gz	BQTNQOOGIOSBBO-UHFFFAOYSA-N	-1	0	272.326	0.968	20	30		CCEDRM
C[C@H](C#N)CNS(=O)(=O)c1cccc(CC(=O)[O-])c1	ZINC000571215276	328092414	/nfs/dbraw/zinc/09/24/14/328092414.db2.gz	NOSBUPVIZZAEBW-SECBINFHSA-N	-1	0	282.321	0.752	20	30		CCEDRM
C=CCCS(=O)(=O)NC[C@H]1CCC[C@H]1C(=O)[O-]	ZINC000571401609	328119101	/nfs/dbraw/zinc/11/91/01/328119101.db2.gz	JDRUPSKFVKPMRH-NXEZZACHSA-N	-1	0	261.343	0.983	20	30		CCEDRM
Cc1ncc(CO)c(/C=N/[C@@H](C(N)=O)C(C)C)c1O	ZINC000264378334	328159300	/nfs/dbraw/zinc/15/93/00/328159300.db2.gz	NDNIVAGIXAJLIB-KDCOTVSISA-N	-1	0	265.313	0.517	20	30		CCEDRM
CCN(CC#N)S(=O)(=O)c1cc(C(=O)[O-])n(C)c1	ZINC000273684409	328205685	/nfs/dbraw/zinc/20/56/85/328205685.db2.gz	LHYZHLJCSRBAEQ-UHFFFAOYSA-N	-1	0	271.298	0.257	20	30		CCEDRM
C[C@H](Sc1n[n-]c(=N)n1C)C(=O)N(C)CCC#N	ZINC000563820511	328521303	/nfs/dbraw/zinc/52/13/03/328521303.db2.gz	WJMAQDOZJYTRER-ZETCQYMHSA-N	-1	0	268.346	0.080	20	30		CCEDRM
N#Cc1nc(NC(=O)c2ccnn2CC(F)F)[n-]c1C#N	ZINC000584212137	327067904	/nfs/dbraw/zinc/06/79/04/327067904.db2.gz	KJJONRMBAWBKDO-UHFFFAOYSA-N	-1	0	291.221	0.867	20	30		CCEDRM
COC(=O)[C@H](NS(=O)(=O)CCC(C)(C)C#N)C1CC1	ZINC000558426415	327093736	/nfs/dbraw/zinc/09/37/36/327093736.db2.gz	DEKISHPIKXIRAQ-SNVBAGLBSA-N	-1	0	288.369	0.797	20	30		CCEDRM
C=CCS(=O)(=O)[N-]C(=O)[C@H]1CCCC[C@H]1OC	ZINC000408130831	327104843	/nfs/dbraw/zinc/10/48/43/327104843.db2.gz	FLIQDSVCYYSDJW-VHSXEESVSA-N	-1	0	261.343	0.824	20	30		CCEDRM
C=CCn1cc(CNC(=O)N2CC[C@](C)(C(=O)[O-])C2)nn1	ZINC000566105040	327136352	/nfs/dbraw/zinc/13/63/52/327136352.db2.gz	XSGVFGLMSKNYMV-ZDUSSCGKSA-N	-1	0	293.327	0.470	20	30		CCEDRM
CC#CC[C@H](NS(=O)(=O)CCC1CCC1)C(=O)[O-]	ZINC000566312127	327303437	/nfs/dbraw/zinc/30/34/37/327303437.db2.gz	LHFVPTXSCDBGIE-NSHDSACASA-N	-1	0	273.354	0.963	20	30		CCEDRM
C=CCC[C@@H](NS(=O)(=O)N(C)[C@H](C)C1CC1)C(=O)[O-]	ZINC000562321076	327468773	/nfs/dbraw/zinc/46/87/73/327468773.db2.gz	CYZXFXHSIXEOBI-MWLCHTKSSA-N	-1	0	290.385	0.971	20	30		CCEDRM
C=CCOC[C@@H](NC(=O)CC1(COC)CC1)C(=O)[O-]	ZINC000583086741	329307672	/nfs/dbraw/zinc/30/76/72/329307672.db2.gz	TYYAEOXEKTXWJE-SNVBAGLBSA-N	-1	0	271.313	0.575	20	30		CCEDRM
C=C(C)CN(C)C(=O)N=c1ncn(CC(=O)OCC)[n-]1	ZINC000425696794	329641747	/nfs/dbraw/zinc/64/17/47/329641747.db2.gz	BNZQRKXGYMUUFC-UHFFFAOYSA-N	-1	0	281.316	0.303	20	30		CCEDRM
C=CCCO[C@@H](C)C(=O)N1C[C@H]2COCC[C@@]2(C(=O)[O-])C1	ZINC000262360416	330010641	/nfs/dbraw/zinc/01/06/41/330010641.db2.gz	INSTUVNXSCAPQD-SLEUVZQESA-N	-1	0	297.351	0.917	20	30		CCEDRM
N#CCCCS(=O)(=O)N1CCCC[C@@H]1C(=O)[O-]	ZINC000262692376	330027652	/nfs/dbraw/zinc/02/76/52/330027652.db2.gz	WKYXLYNWBZJRQW-SECBINFHSA-N	-1	0	260.315	0.559	20	30		CCEDRM
C=CCOc1cccnc1C(=O)N[C@H](COC)C(=O)[O-]	ZINC000262908839	330036810	/nfs/dbraw/zinc/03/68/10/330036810.db2.gz	IOYFSKLGJCDETH-SECBINFHSA-N	-1	0	280.280	0.476	20	30		CCEDRM
C=CCOC[C@H](NC(=O)COCC1CC1)C(=O)[O-]	ZINC000263028492	330039461	/nfs/dbraw/zinc/03/94/61/330039461.db2.gz	OIIPQPUJWDVBDN-JTQLQIEISA-N	-1	0	257.286	0.185	20	30		CCEDRM
C[C@@H]1C[C@H](C(=O)[O-])CN(S(=O)(=O)CC2(C#N)CC2)C1	ZINC000263074098	330042224	/nfs/dbraw/zinc/04/22/24/330042224.db2.gz	ATTYXJHIESTPCB-ZJUUUORDSA-N	-1	0	286.353	0.663	20	30		CCEDRM
C[C@H]1CC[C@H](C(=O)[O-])CN1S(=O)(=O)CC1(C#N)CC1	ZINC000263215543	330049776	/nfs/dbraw/zinc/04/97/76/330049776.db2.gz	ZXQVZCCTCAALDK-UWVGGRQHSA-N	-1	0	286.353	0.805	20	30		CCEDRM
C#C[C@H](NC(=O)NCCCC(=O)[O-])[C@@H]1CCCO1	ZINC000263333480	330052410	/nfs/dbraw/zinc/05/24/10/330052410.db2.gz	CWIWGAPUUFIUHC-UWVGGRQHSA-N	-1	0	254.286	0.331	20	30		CCEDRM
CCC[C@H](NS(=O)(=O)N(C)C[C@@H](C)C#N)C(=O)[O-]	ZINC000263505547	330058277	/nfs/dbraw/zinc/05/82/77/330058277.db2.gz	VNEUEILCCYJZNA-IUCAKERBSA-N	-1	0	277.346	0.166	20	30		CCEDRM
C[C@@H]1CN(S(=O)(=O)CCCC#N)CC[C@@H]1C(=O)[O-]	ZINC000527484133	330248850	/nfs/dbraw/zinc/24/88/50/330248850.db2.gz	HYSPHNMSJSLWOQ-ZJUUUORDSA-N	-1	0	274.342	0.663	20	30		CCEDRM
C=CCOC[C@H](NC(=O)[C@@H]1O[C@H](C)C[C@H]1C)C(=O)[O-]	ZINC000515487465	330478455	/nfs/dbraw/zinc/47/84/55/330478455.db2.gz	VOVUPNUETFMGSQ-CHWFTXMASA-N	-1	0	271.313	0.572	20	30		CCEDRM
C=CCn1c(SCc2cncn2C)n[n-]c1=N	ZINC000439538240	330740236	/nfs/dbraw/zinc/74/02/36/330740236.db2.gz	YSPJDCBRCXGZHW-UHFFFAOYSA-N	-1	0	250.331	0.902	20	30		CCEDRM
C=CCC[C@@H](CO)NC(=O)N=c1ccc(OC)n[n-]1	ZINC000455252624	331163209	/nfs/dbraw/zinc/16/32/09/331163209.db2.gz	NEWKFTBHQBWSHI-VIFPVBQESA-N	-1	0	266.301	0.356	20	30		CCEDRM
C#CCN(CC#CC)S(=O)(=O)CCCC(=O)[O-]	ZINC000491473934	332217842	/nfs/dbraw/zinc/21/78/42/332217842.db2.gz	ISMRMJAUFQSZNT-UHFFFAOYSA-N	-1	0	257.311	0.140	20	30		CCEDRM
C#C[C@H](C)N(C)C(=O)N=c1[n-]nc(CCC(=O)OC)s1	ZINC000491538386	332233193	/nfs/dbraw/zinc/23/31/93/332233193.db2.gz	YSZWDHSCDZWBHJ-QMMMGPOBSA-N	-1	0	296.352	0.551	20	30		CCEDRM
C#CCN(C)C(=O)N=c1nc([C@H](C)OC)[n-]s1	ZINC000491644831	332262912	/nfs/dbraw/zinc/26/29/12/332262912.db2.gz	LZANAJXARBTSSY-ZETCQYMHSA-N	-1	0	254.315	0.764	20	30		CCEDRM
C#CCN(C)CC1=Nc2ccccc2S(=O)(=O)[N-]1	ZINC000491697610	332292772	/nfs/dbraw/zinc/29/27/72/332292772.db2.gz	BFESRCRCNMUWHF-UHFFFAOYSA-N	-1	0	263.322	0.574	20	30		CCEDRM
C[C@@H](C#N)CNS(=O)(=O)c1ccc(C(=O)[O-])c(F)c1	ZINC000184988278	333134034	/nfs/dbraw/zinc/13/40/34/333134034.db2.gz	RQTGKKUDGPVXML-ZETCQYMHSA-N	-1	0	286.284	0.962	20	30		CCEDRM
CC[C@@]1(C(=O)[O-])CCCN1S(=O)(=O)N(C)CCC#N	ZINC000530339636	333543496	/nfs/dbraw/zinc/54/34/96/333543496.db2.gz	USTOTQVSPDHJBM-NSHDSACASA-N	-1	0	289.357	0.406	20	30		CCEDRM
C[C@@H](C#N)CNC(=O)N=c1ncn(C(C)(C)C)[n-]1	ZINC000541503476	333777521	/nfs/dbraw/zinc/77/75/21/333777521.db2.gz	CJCKUPCQPRGFFB-QMMMGPOBSA-N	-1	0	250.306	0.736	20	30		CCEDRM
C[C@H]1CCN(S(=O)(=O)CCCC#N)[C@H]1C(=O)[O-]	ZINC000547923472	334129284	/nfs/dbraw/zinc/12/92/84/334129284.db2.gz	CDWOHWQDRNZXAR-DTWKUNHWSA-N	-1	0	260.315	0.415	20	30		CCEDRM
C[C@H](CCNS(=O)(=O)CCCC#N)CC(=O)[O-]	ZINC000548235862	334146933	/nfs/dbraw/zinc/14/69/33/334146933.db2.gz	NFHUUOZAJSYWGX-SECBINFHSA-N	-1	0	262.331	0.710	20	30		CCEDRM
COC(=O)c1ncsc1S(=O)(=O)[N-]C[C@H](C)C#N	ZINC000136430581	334154880	/nfs/dbraw/zinc/15/48/80/334154880.db2.gz	OYAUCULYPCHFMG-ZCFIWIBFSA-N	-1	0	289.338	0.368	20	30		CCEDRM
N#CC1(CS(=O)(=O)N[C@@H](Cc2ccco2)C(=O)[O-])CC1	ZINC000548556579	334162498	/nfs/dbraw/zinc/16/24/98/334162498.db2.gz	XZHOTXKJZXIBOT-JTQLQIEISA-N	-1	0	298.320	0.498	20	30		CCEDRM
CCCSC[C@@H](NS(=O)(=O)CCCC#N)C(=O)[O-]	ZINC000548565628	334162674	/nfs/dbraw/zinc/16/26/74/334162674.db2.gz	RISDZNJGGKFRLM-SECBINFHSA-N	-1	0	294.398	0.806	20	30		CCEDRM
CCN([C@H](C)CC(=O)[O-])S(=O)(=O)CC1(C#N)CC1	ZINC000548570511	334162729	/nfs/dbraw/zinc/16/27/29/334162729.db2.gz	FNJXRRGASKGWFC-SECBINFHSA-N	-1	0	274.342	0.805	20	30		CCEDRM
C=CC[C@@H](CO)NC(=O)N=c1[n-]nc(C2CC2)s1	ZINC000554544924	334437044	/nfs/dbraw/zinc/43/70/44/334437044.db2.gz	GVVQGQKMIMLALI-QMMMGPOBSA-N	-1	0	268.342	0.896	20	30		CCEDRM
C=CCC[C@H](NC(=O)Cn1cc([N+](=O)[O-])cn1)C(=O)[O-]	ZINC000263009223	334583430	/nfs/dbraw/zinc/58/34/30/334583430.db2.gz	XBCTZPKFWLKRMD-VIFPVBQESA-N	-1	0	282.256	0.327	20	30		CCEDRM
C=C(C)[C@H]1OCC[C@H]1C(=O)N1CC[C@@](COC)(C(=O)[O-])C1	ZINC000567275662	334700209	/nfs/dbraw/zinc/70/02/09/334700209.db2.gz	WUWLFUFSNCMEHD-LALPHHSUSA-N	-1	0	297.351	0.917	20	30		CCEDRM
C=C(C)CS(=O)(=O)N1C[C@H](C(=O)[O-])[C@@]2(CCOC2)C1	ZINC000567506153	334726689	/nfs/dbraw/zinc/72/66/89/334726689.db2.gz	FNLLHPARTDTISD-PWSUYJOCSA-N	-1	0	289.353	0.315	20	30		CCEDRM
C=C[C@H](CCC(=O)[O-])NS(=O)(=O)C[C@H](C)C(=O)OC	ZINC000569076885	334854133	/nfs/dbraw/zinc/85/41/33/334854133.db2.gz	VQPTZZZQFJNHAX-DTWKUNHWSA-N	-1	0	293.341	0.134	20	30		CCEDRM
N#Cc1c(C2CC2)[n-][nH]c1=NC(=O)[C@@H]1CCc2cncn2C1	ZINC000576826239	335252693	/nfs/dbraw/zinc/25/26/93/335252693.db2.gz	MSCWLBXMNLYWMO-SNVBAGLBSA-N	-1	0	296.334	0.978	20	30		CCEDRM
C=CCOC[C@H](NC(=O)NC[C@@H](C)SC)C(=O)[O-]	ZINC000577342580	335340561	/nfs/dbraw/zinc/34/05/61/335340561.db2.gz	UFMCOLLOJHPZGC-BDAKNGLRSA-N	-1	0	276.358	0.693	20	30		CCEDRM
N#Cc1cncc(S(=O)(=O)N[C@H]2C[C@H](C(=O)[O-])C2)c1	ZINC000577860374	335412891	/nfs/dbraw/zinc/41/28/91/335412891.db2.gz	ZGYVIHAHJXKMTD-KYZUINATSA-N	-1	0	281.293	0.095	20	30		CCEDRM
C=C[C@H](CCC(=O)[O-])NS(=O)(=O)c1ccnn1CC	ZINC000578158427	335536149	/nfs/dbraw/zinc/53/61/49/335536149.db2.gz	TVHLOWMPOASBBP-SECBINFHSA-N	-1	0	287.341	0.601	20	30		CCEDRM
C=C[C@@H](CCC(=O)[O-])NS(=O)(=O)N(C)C[C@@H](C)C#N	ZINC000578446634	335635726	/nfs/dbraw/zinc/63/57/26/335635726.db2.gz	YLFRCQCUIISBQQ-UWVGGRQHSA-N	-1	0	289.357	0.332	20	30		CCEDRM
C=C[C@@H](CCC(=O)[O-])NS(=O)(=O)[C@H](C)COC	ZINC000578960743	335693279	/nfs/dbraw/zinc/69/32/79/335693279.db2.gz	LGIPPLTVILLAMO-BDAKNGLRSA-N	-1	0	265.331	0.360	20	30		CCEDRM
C[C@H]1CCN(S(=O)(=O)c2cncc(C#N)c2)[C@@H]1C(=O)[O-]	ZINC000380890748	336038574	/nfs/dbraw/zinc/03/85/74/336038574.db2.gz	ZGSSDXZERBNNIS-KWQFWETISA-N	-1	0	295.320	0.437	20	30		CCEDRM
COC(=O)c1cc(C(=O)N=c2[nH][n-]c(C3CC3)c2C#N)c[nH]1	ZINC000451696556	533729453	/nfs/dbraw/zinc/72/94/53/533729453.db2.gz	GIVGVAAYPVDHEE-UHFFFAOYSA-N	-1	0	299.290	0.948	20	30		CCEDRM
C=CCCC(=O)N(C)CC(=O)N1CCC[C@H](C(=O)[O-])C1	ZINC000237026329	534601268	/nfs/dbraw/zinc/60/12/68/534601268.db2.gz	MWLIOXALIDMUOT-NSHDSACASA-N	-1	0	282.340	0.734	20	30		CCEDRM
COc1nn(C)cc1[N-]S(=O)(=O)c1cncc(C#N)c1	ZINC000357076196	525093210	/nfs/dbraw/zinc/09/32/10/525093210.db2.gz	IGOVGDKQZFRXDI-UHFFFAOYSA-N	-1	0	293.308	0.496	20	30		CCEDRM
C=CCOC[C@H](NC(=O)C1CC(OCC)C1)C(=O)[O-]	ZINC000668290820	545171447	/nfs/dbraw/zinc/17/14/47/545171447.db2.gz	YTRNNKQOHAYMNH-ILDUYXDCSA-N	-1	0	271.313	0.574	20	30		CCEDRM
C#C[C@@H](NC(=O)N1CCO[C@@H](C(=O)[O-])C1)C(C)C	ZINC000305932926	649888667	/nfs/dbraw/zinc/88/86/67/649888667.db2.gz	PILULSATQSWDOP-NXEZZACHSA-N	-1	0	254.286	0.139	20	30		CCEDRM
N#CCN(CC(=O)[O-])S(=O)(=O)c1cccc(C#N)c1	ZINC000739085242	581174692	/nfs/dbraw/zinc/17/46/92/581174692.db2.gz	DIOMZICWELHNHQ-UHFFFAOYSA-N	-1	0	279.277	0.157	20	30		CCEDRM
CC(C)[C@](C)(C#N)NC(=O)CN(C)[C@H](C)CNC(=O)[O-]	ZINC000738942728	581211513	/nfs/dbraw/zinc/21/15/13/581211513.db2.gz	WZCRKMSPMDHWIB-MFKMUULPSA-N	-1	0	284.360	0.629	20	30		CCEDRM
O=C([O-])COc1ccc(C=NN[C@H]2CCOC2)cc1	ZINC000788452897	581111850	/nfs/dbraw/zinc/11/18/50/581111850.db2.gz	VVNZAXHPXCCFTC-NSHDSACASA-N	-1	0	264.281	0.862	20	30		CCEDRM
Cc1nnc(NN=C2CCCc3c[nH]nc32)[n-]c1=O	ZINC000788968127	581129263	/nfs/dbraw/zinc/12/92/63/581129263.db2.gz	TYZFLDIZFUPPLO-UHFFFAOYSA-N	-1	0	259.273	0.761	20	30		CCEDRM
O=C([O-])COc1ccccc1C=NN1CCCNC1=O	ZINC000777898958	581138473	/nfs/dbraw/zinc/13/84/73/581138473.db2.gz	SUKSQESIZQDMCX-UHFFFAOYSA-N	-1	0	277.280	0.899	20	30		CCEDRM
N#C[C@H](C(=O)CCSCC(=O)[O-])C(=O)N1CCCC1	ZINC000739075742	581170809	/nfs/dbraw/zinc/17/08/09/581170809.db2.gz	VNRFDTVRKTZGAT-SECBINFHSA-N	-1	0	284.337	0.526	20	30		CCEDRM
N#CCN(CC(=O)[O-])C(=O)Cn1ncc2ccccc21	ZINC000739078241	581172326	/nfs/dbraw/zinc/17/23/26/581172326.db2.gz	CFUQDTNRUQVHSD-UHFFFAOYSA-N	-1	0	272.264	0.473	20	30		CCEDRM
N#CCN(CC(=O)[O-])C(=O)c1csc2cncn21	ZINC000739086159	581174952	/nfs/dbraw/zinc/17/49/52/581174952.db2.gz	PMQKTRPFDWFBDB-UHFFFAOYSA-N	-1	0	264.266	0.446	20	30		CCEDRM
CON=Cc1ccc(C(=O)NCCc2nc(=O)o[n-]2)cc1	ZINC000790077234	581176025	/nfs/dbraw/zinc/17/60/25/581176025.db2.gz	RTDMYTYDIUWYJC-UHFFFAOYSA-N	-1	0	290.279	0.316	20	30		CCEDRM
C[C@]1(C(=O)[N-]S(=O)(=O)CCCC#N)CCCO1	ZINC000776122632	581180788	/nfs/dbraw/zinc/18/07/88/581180788.db2.gz	SIRWTAMGNXKILH-SNVBAGLBSA-N	-1	0	260.315	0.305	20	30		CCEDRM
C[C@@](CNC(=O)[O-])(NC(=O)CSCC#N)C1CC1	ZINC000738924469	581194860	/nfs/dbraw/zinc/19/48/60/581194860.db2.gz	KCORKSXZLIKGPP-NSHDSACASA-N	-1	0	271.342	0.796	20	30		CCEDRM
CC#CCS(=O)(=O)[N-]C(=O)c1cc(C(C)C)n[nH]1	ZINC000791111629	581207563	/nfs/dbraw/zinc/20/75/63/581207563.db2.gz	VKKKZXAKAXGWBJ-UHFFFAOYSA-N	-1	0	269.326	0.616	20	30		CCEDRM
N#CCCCS(=O)(=O)[N-]C(=O)[C@H]1CSCCS1	ZINC000780472650	581229947	/nfs/dbraw/zinc/22/99/47/581229947.db2.gz	AKHKQXXSTPLFQG-MRVPVSSYSA-N	-1	0	294.423	0.585	20	30		CCEDRM
COCCO[N-]C(=O)[C@](C)(C#N)CC(=O)OC(C)(C)C	ZINC000780613736	581236556	/nfs/dbraw/zinc/23/65/56/581236556.db2.gz	BMWQJFNHVNITPL-ZDUSSCGKSA-N	-1	0	286.328	0.942	20	30		CCEDRM
C=CCNC(=O)C(C#N)=C([O-])c1cc(C)nn1CC	ZINC000726321761	581236780	/nfs/dbraw/zinc/23/67/80/581236780.db2.gz	PQDJRUPEKXVICO-JTQLQIEISA-N	-1	0	260.297	0.836	20	30		CCEDRM
CC[C@H](NN=Cc1cc(O)c(O)c(OC)c1)C(=O)[O-]	ZINC000793070399	581283116	/nfs/dbraw/zinc/28/31/16/581283116.db2.gz	APDDXZOGMKTXSC-QMMMGPOBSA-N	-1	0	268.269	0.893	20	30		CCEDRM
Cc1cc(C(=O)[N-]S(=O)(=O)CC2(C#N)CC2)co1	ZINC000793195052	581287758	/nfs/dbraw/zinc/28/77/58/581287758.db2.gz	FGXFWMHCUCSNLT-UHFFFAOYSA-N	-1	0	268.294	0.951	20	30		CCEDRM
N#CC1(CS(=O)(=O)[N-]C(=O)[C@@H]2CCCOCC2)CC1	ZINC000793194931	581287892	/nfs/dbraw/zinc/28/78/92/581287892.db2.gz	AZHFQFQRSSRMIG-SNVBAGLBSA-N	-1	0	286.353	0.553	20	30		CCEDRM
COCCN(CC(=O)[O-])CC(=O)NC1(C#N)CCCCC1	ZINC000737777524	581320609	/nfs/dbraw/zinc/32/06/09/581320609.db2.gz	BNOOIVDYTQANGX-UHFFFAOYSA-N	-1	0	297.355	0.362	20	30		CCEDRM
C#CCN(CC)C(=O)CN(C[C@H]1CCCO1)C(=O)[O-]	ZINC000738461220	581333855	/nfs/dbraw/zinc/33/38/55/581333855.db2.gz	PFCNUYFOHZLVLQ-LLVKDONJSA-N	-1	0	268.313	0.627	20	30		CCEDRM
COCCNC(=O)C(C#N)=C([O-])c1cscn1	ZINC000728766694	581369842	/nfs/dbraw/zinc/36/98/42/581369842.db2.gz	GHSWIZRJJRSJTP-ZETCQYMHSA-N	-1	0	253.283	0.228	20	30		CCEDRM
CO[N-]C(=O)C(=O)Nc1cccc(OCCCC#N)c1	ZINC000785362957	581406413	/nfs/dbraw/zinc/40/64/13/581406413.db2.gz	VNOUQEJTQQJZBH-UHFFFAOYSA-N	-1	0	277.280	0.985	20	30		CCEDRM
N#Cc1c[n-]n2c1nc(COC(=O)Cc1ccon1)cc2=O	ZINC000786011576	581426962	/nfs/dbraw/zinc/42/69/62/581426962.db2.gz	UCQMCMMLJPSLJS-UHFFFAOYSA-N	-1	0	299.246	0.580	20	30		CCEDRM
COC(=O)c1ccc(C([O-])=C(C#N)C(=O)NC(C)C)[nH]1	ZINC000796747706	581449949	/nfs/dbraw/zinc/44/99/49/581449949.db2.gz	QKAMJXUGGAUXFD-MRVPVSSYSA-N	-1	0	277.280	0.648	20	30		CCEDRM
C=CCNC(=O)C(C#N)=C([O-])c1occ2c1CCOC2	ZINC000796798384	581450835	/nfs/dbraw/zinc/45/08/35/581450835.db2.gz	LHWFEPYHKCFIRB-LLVKDONJSA-N	-1	0	274.276	0.977	20	30		CCEDRM
CCc1nc(C(=O)[N-]S(=O)(=O)CCCC#N)c(C)o1	ZINC000797228949	581462522	/nfs/dbraw/zinc/46/25/22/581462522.db2.gz	WWCYUQAWXASWKD-UHFFFAOYSA-N	-1	0	285.325	0.909	20	30		CCEDRM
N#Cc1ccc(CNC(=O)CN2CCC[C@H]2C(=O)[O-])cc1	ZINC000739118714	581507974	/nfs/dbraw/zinc/50/79/74/581507974.db2.gz	WBIGIYMEISLYJS-ZDUSSCGKSA-N	-1	0	287.319	0.723	20	30		CCEDRM
N#Cc1ccc([C@@H](OC(=O)c2nccnc2N)C(=O)[O-])cc1	ZINC000739119326	581508019	/nfs/dbraw/zinc/50/80/19/581508019.db2.gz	ZJDAGEMOGSGMRX-LLVKDONJSA-N	-1	0	298.258	0.913	20	30		CCEDRM
N#Cc1ccc(OCCn2cnc(C(=O)[O-])n2)cc1	ZINC000739128409	581508916	/nfs/dbraw/zinc/50/89/16/581508916.db2.gz	CJNUWNUTRQOYOF-UHFFFAOYSA-N	-1	0	258.237	0.927	20	30		CCEDRM
N#Cc1cccc(NC(=O)COC(=O)[C@H]2C[C@H]2C(=O)[O-])c1	ZINC000739133601	581509769	/nfs/dbraw/zinc/50/97/69/581509769.db2.gz	KOKOJGANVAZQAM-MNOVXSKESA-N	-1	0	288.259	0.761	20	30		CCEDRM
C[C@@H]1CN(C(=O)CSCC#N)C[C@@H](C)N1C(=O)[O-]	ZINC000739133793	581509926	/nfs/dbraw/zinc/50/99/26/581509926.db2.gz	IRZSSYLMROZCCM-RKDXNWHRSA-N	-1	0	271.342	0.842	20	30		CCEDRM
CCN(C[C@@H](C)C#N)C(=O)CN(C)[C@H](C)CNC(=O)[O-]	ZINC000739405609	581547403	/nfs/dbraw/zinc/54/74/03/581547403.db2.gz	XUXIOHVZUYTYQC-WDEREUQCSA-N	-1	0	284.360	0.582	20	30		CCEDRM
Cn1nnc2cc(C([O-])=C(C#N)C(=O)NC3CC3)ccc21	ZINC000729188179	581557631	/nfs/dbraw/zinc/55/76/31/581557631.db2.gz	KXHQWAPTMJUHEZ-JTQLQIEISA-N	-1	0	283.291	0.569	20	30		CCEDRM
C=CCOCC(=O)[N-]S(=O)(=O)CCCC(F)(F)F	ZINC000766672777	581575246	/nfs/dbraw/zinc/57/52/46/581575246.db2.gz	BIWTTYFHGYIAQK-UHFFFAOYSA-N	-1	0	289.275	0.978	20	30		CCEDRM
CN(CCN1CCN(C(=O)[O-])CC1)c1nccnc1C#N	ZINC000739686746	581593446	/nfs/dbraw/zinc/59/34/46/581593446.db2.gz	JGCDNEPHLQPYHD-UHFFFAOYSA-N	-1	0	290.327	0.080	20	30		CCEDRM
CN(CCNC(=O)COc1cccc(C#N)c1)C(=O)[O-]	ZINC000739692116	581594464	/nfs/dbraw/zinc/59/44/64/581594464.db2.gz	NGKKWAHETWVBCD-UHFFFAOYSA-N	-1	0	277.280	0.663	20	30		CCEDRM
CCCNC(=O)CCCC(=O)Nc1nc(C#N)c(C#N)[n-]1	ZINC000729521993	581602297	/nfs/dbraw/zinc/60/22/97/581602297.db2.gz	CFRYNEUKQXJHOY-UHFFFAOYSA-N	-1	0	288.311	0.788	20	30		CCEDRM
C=CCCO[C@H](C)C(=O)[N-]S(=O)(=O)N(C)C(C)C	ZINC000729915054	581620567	/nfs/dbraw/zinc/62/05/67/581620567.db2.gz	XBISFPFDTNAPEP-SNVBAGLBSA-N	-1	0	278.374	0.669	20	30		CCEDRM
COc1ccc(NC(=S)NN=C2CN(C(=O)[O-])C2)cn1	ZINC000739918470	581634124	/nfs/dbraw/zinc/63/41/24/581634124.db2.gz	JSQNNRURMKDWCD-UHFFFAOYSA-N	-1	0	295.324	0.726	20	30		CCEDRM
Cc1nnc([S-])n(N=Cc2ccccc2C#N)c1=O	ZINC000755509922	581643182	/nfs/dbraw/zinc/64/31/82/581643182.db2.gz	AZPPZCMHKPTJOF-UHFFFAOYSA-N	-1	0	271.305	0.989	20	30		CCEDRM
Cc1c(C(=O)NCC#N)nnn1C1CCN(C(=O)[O-])CC1	ZINC000740038393	581647245	/nfs/dbraw/zinc/64/72/45/581647245.db2.gz	WNJVTTWPTDFLLU-UHFFFAOYSA-N	-1	0	292.299	0.155	20	30		CCEDRM
COCCCNC(=O)C(C#N)=C([O-])c1oc(C)nc1C	ZINC000755599237	581648180	/nfs/dbraw/zinc/64/81/80/581648180.db2.gz	OELCHYVVTWGKHV-JTQLQIEISA-N	-1	0	279.296	0.767	20	30		CCEDRM
CC#CCS(=O)(=O)[N-]C(=O)c1ccc(COC)o1	ZINC000788072563	581657721	/nfs/dbraw/zinc/65/77/21/581657721.db2.gz	WCPQFVBDIBFBOO-UHFFFAOYSA-N	-1	0	271.294	0.509	20	30		CCEDRM
N#CCNC(=O)COC(=O)c1ccc(F)c(NC(=O)[O-])c1	ZINC000740305167	581662361	/nfs/dbraw/zinc/66/23/61/581662361.db2.gz	FOPBDMLRWWIKGU-UHFFFAOYSA-N	-1	0	295.226	0.712	20	30		CCEDRM
N#CCN1CCC[C@@H](CNC(=O)[C@@H]2CCCN2C(=O)[O-])C1	ZINC000740305225	581662527	/nfs/dbraw/zinc/66/25/27/581662527.db2.gz	IDYBLODQZGOTGQ-RYUDHWBXSA-N	-1	0	294.355	0.481	20	30		CCEDRM
N#CCN1CCC(NC(=O)[C@H]2CCC[C@H]2NC(=O)[O-])CC1	ZINC000740305529	581662569	/nfs/dbraw/zinc/66/25/69/581662569.db2.gz	NMRMFFNCORSQBA-NWDGAFQWSA-N	-1	0	294.355	0.527	20	30		CCEDRM
N#C[C@H]1CN(C(=O)NC2CCC(NC(=O)[O-])CC2)CCO1	ZINC000740307780	581663543	/nfs/dbraw/zinc/66/35/43/581663543.db2.gz	TYOMPNAEJXIGJC-ILDUYXDCSA-N	-1	0	296.327	0.499	20	30		CCEDRM
N#CC1(NC(=O)CN(C[C@@H]2CCCO2)C(=O)[O-])CC1	ZINC000740309691	581663834	/nfs/dbraw/zinc/66/38/34/581663834.db2.gz	LXISEVLAYZIGOG-VIFPVBQESA-N	-1	0	267.285	0.318	20	30		CCEDRM
N#CC1(C(=O)N2CC[C@H](NC(=O)[O-])C2)CCCC1	ZINC000740309441	581664114	/nfs/dbraw/zinc/66/41/14/581664114.db2.gz	HHXAIRKGSKQDFY-VIFPVBQESA-N	-1	0	251.286	0.939	20	30		CCEDRM
N#CC1(C(=O)NCC[C@@H]2CCN(C(=O)[O-])C2)CCOCC1	ZINC000740309852	581664117	/nfs/dbraw/zinc/66/41/17/581664117.db2.gz	NUTBKKFIOAYXEZ-LLVKDONJSA-N	-1	0	295.339	0.813	20	30		CCEDRM
N#Cc1ccc(CNC(=O)[C@H]2C[C@H](O)CN2C(=O)[O-])cc1	ZINC000740312980	581664419	/nfs/dbraw/zinc/66/44/19/581664419.db2.gz	MKMSPXDQQXXUEN-NWDGAFQWSA-N	-1	0	289.291	0.288	20	30		CCEDRM
N#Cc1ccc(C(=O)N[C@@H]2CCN(C(=O)[O-])C2)nc1	ZINC000740312187	581664466	/nfs/dbraw/zinc/66/44/66/581664466.db2.gz	BHWIKYPWOFEXDX-SECBINFHSA-N	-1	0	260.253	0.435	20	30		CCEDRM
N#Cc1ccc(NC(=O)CN2CC[C@H](NC(=O)[O-])C2)cc1	ZINC000740314889	581664536	/nfs/dbraw/zinc/66/45/36/581664536.db2.gz	DFFMNAZQYJMNAC-LBPRGKRZSA-N	-1	0	288.307	0.839	20	30		CCEDRM
N#Cc1ccc(NCC(=O)N[C@@H]2CCN(C(=O)[O-])C2)cc1	ZINC000740317741	581665096	/nfs/dbraw/zinc/66/50/96/581665096.db2.gz	SHJMMWXQFREMQI-GFCCVEGCSA-N	-1	0	288.307	0.839	20	30		CCEDRM
N#Cc1cccc(S(=O)(=O)N[C@H]2CCN(C(=O)[O-])C2)c1	ZINC000740322410	581665392	/nfs/dbraw/zinc/66/53/92/581665392.db2.gz	BQYHTSKEXQMODH-JTQLQIEISA-N	-1	0	295.320	0.589	20	30		CCEDRM
C[C@](O)(CC(=O)Nc1nc(C#N)c(C#N)[n-]1)C1CC1	ZINC000756752670	581677307	/nfs/dbraw/zinc/67/73/07/581677307.db2.gz	GWPXLWDJYMSHGE-LBPRGKRZSA-N	-1	0	259.269	0.643	20	30		CCEDRM
C#CCOCCC(=O)N[C@@H](c1nnn[n-]1)c1ccccc1	ZINC000756759981	581677398	/nfs/dbraw/zinc/67/73/98/581677398.db2.gz	VWGNDJOIVQOWGH-CYBMUJFWSA-N	-1	0	285.307	0.445	20	30		CCEDRM
O=C([O-])N1CC(N=Nc2ccc(-n3cccn3)nn2)C1	ZINC000740488109	581686307	/nfs/dbraw/zinc/68/63/07/581686307.db2.gz	CLKWINOVHRPDLP-UHFFFAOYSA-N	-1	0	273.256	0.424	20	30		CCEDRM
N#Cc1ccc(S(=O)(=O)[N-]C(=O)C[C@@H]2CCOC2)cc1	ZINC000740524723	581691920	/nfs/dbraw/zinc/69/19/20/581691920.db2.gz	CREZZKMMJBMGQD-NSHDSACASA-N	-1	0	294.332	0.790	20	30		CCEDRM
C#Cc1ccc(C(=O)Nc2cnn(CC(=O)[O-])c2)nc1	ZINC000736092475	581700956	/nfs/dbraw/zinc/70/09/56/581700956.db2.gz	GNRJOEIBHKHSDU-UHFFFAOYSA-N	-1	0	270.248	0.596	20	30		CCEDRM
C#Cc1ccc(C(=O)N2CCN(C(=O)[O-])CC2)cn1	ZINC000736093019	581700962	/nfs/dbraw/zinc/70/09/62/581700962.db2.gz	PRHJHUBXBNZELS-UHFFFAOYSA-N	-1	0	259.265	0.499	20	30		CCEDRM
CC[C@@]1(C)NC(=O)N([N-]C(=O)c2ccc(C#N)nc2)C1=O	ZINC000769856682	581711446	/nfs/dbraw/zinc/71/14/46/581711446.db2.gz	WTPSLVSQXIWUKI-CYBMUJFWSA-N	-1	0	287.279	0.319	20	30		CCEDRM
C[C@](C#N)(NC(=O)COC(=O)[C@H]1C[C@@H]1C(=O)[O-])C1CC1	ZINC000736201070	581714305	/nfs/dbraw/zinc/71/43/05/581714305.db2.gz	FZWKJVSVBFTYRW-MWODSPESSA-N	-1	0	280.280	0.059	20	30		CCEDRM
Cc1ccc(S(=O)(=O)N(CC#N)CC(=O)[O-])c(F)c1	ZINC000738652022	581735157	/nfs/dbraw/zinc/73/51/57/581735157.db2.gz	ACUSRHPFFMZHAH-UHFFFAOYSA-N	-1	0	286.284	0.733	20	30		CCEDRM
COC[C@@H](C)CC(=O)C(C#N)=C([O-])c1nccn1C	ZINC000770871200	581775237	/nfs/dbraw/zinc/77/52/37/581775237.db2.gz	INMFLONHTOGEGT-UWVGGRQHSA-N	-1	0	263.297	0.984	20	30		CCEDRM
Cn1ccnc1C([O-])=C(C#N)C(=O)CCn1ccccc1=O	ZINC000770861515	581775583	/nfs/dbraw/zinc/77/55/83/581775583.db2.gz	FZKIQBYJANYADN-NSHDSACASA-N	-1	0	298.302	0.564	20	30		CCEDRM
Cn1ccnc1C(=O)C(C#N)=C([O-])c1ccc(C(N)=O)cc1	ZINC000770871126	581775600	/nfs/dbraw/zinc/77/56/00/581775600.db2.gz	HVIHIFCBRJBLJK-NSHDSACASA-N	-1	0	296.286	0.724	20	30		CCEDRM
CC(C)NC(=O)[C@@H](C#N)C(=O)CCCNC(=O)[O-]	ZINC000736478084	581775776	/nfs/dbraw/zinc/77/57/76/581775776.db2.gz	ZFIFQYIJYGCJOQ-QMMMGPOBSA-N	-1	0	255.274	0.268	20	30		CCEDRM
Cn1ccc(C([O-])=C(C#N)C(=O)c2nccn2C)c1	ZINC000770876477	581776160	/nfs/dbraw/zinc/77/61/60/581776160.db2.gz	LVOLKZKEIITHKK-JTQLQIEISA-N	-1	0	256.265	0.964	20	30		CCEDRM
CC(C)([N-]C(=O)C(F)(F)F)C(=O)N[C@@H](C#N)C1CC1	ZINC000758920940	581776144	/nfs/dbraw/zinc/77/61/44/581776144.db2.gz	KUXFJGBGNRBAMV-ZETCQYMHSA-N	-1	0	277.246	0.862	20	30		CCEDRM
O=C([O-])Cn1cc(/C=C/C(=O)c2cccnc2)nn1	ZINC000759074777	581781938	/nfs/dbraw/zinc/78/19/38/581781938.db2.gz	XWSDUYMUFOPUTL-ONEGZZNKSA-N	-1	0	258.237	0.654	20	30		CCEDRM
C#CCOCCNC(=O)C(C)(C)[N-]C(=O)C(F)(F)F	ZINC000759116895	581783760	/nfs/dbraw/zinc/78/37/60/581783760.db2.gz	MBXJMYOOHITNTF-UHFFFAOYSA-N	-1	0	280.246	0.210	20	30		CCEDRM
N#CC1(C(=O)N2CCO[C@@H](c3nnn[n-]3)C2)CCCC1	ZINC000731880331	581786697	/nfs/dbraw/zinc/78/66/97/581786697.db2.gz	KJMKUGXJVQWVEK-SECBINFHSA-N	-1	0	276.300	0.184	20	30		CCEDRM
CNC(=O)C(C#N)=C([O-])c1ccc2c(c1)CCC(=O)N2C	ZINC000759216662	581787179	/nfs/dbraw/zinc/78/71/79/581787179.db2.gz	OQTZDBPQNJBXOS-NSHDSACASA-N	-1	0	285.303	0.664	20	30		CCEDRM
CCO[C@@H]1C[C@@H]1C(=O)[N-]S(=O)(=O)CC1(C#N)CCC1	ZINC000771074943	581789750	/nfs/dbraw/zinc/78/97/50/581789750.db2.gz	WJGVSRJVQMXXGO-VHSXEESVSA-N	-1	0	286.353	0.551	20	30		CCEDRM
N#CC1(CS(=O)(=O)[N-]C(=O)[C@@H]2C[C@@]23CCOC3)CCC1	ZINC000771081400	581790286	/nfs/dbraw/zinc/79/02/86/581790286.db2.gz	XEZMABFAJOCDJH-GXFFZTMASA-N	-1	0	298.364	0.553	20	30		CCEDRM
N#CC1(CS(=O)(=O)[N-]C(=O)[C@H]2C[C@]23CCOC3)CCC1	ZINC000771081402	581790301	/nfs/dbraw/zinc/79/03/01/581790301.db2.gz	XEZMABFAJOCDJH-MFKMUULPSA-N	-1	0	298.364	0.553	20	30		CCEDRM
CCc1nn(C)cc1C([O-])=C(C#N)C(=O)N1CCCC1	ZINC000771259245	581797719	/nfs/dbraw/zinc/79/77/19/581797719.db2.gz	XFBRVERMYNSLQM-JTQLQIEISA-N	-1	0	274.324	0.927	20	30		CCEDRM
C=CCOc1ccccc1C(=O)[N-]S(=O)(=O)CCOC	ZINC000732522633	581833479	/nfs/dbraw/zinc/83/34/79/581833479.db2.gz	DPOWMQHYUDNRPJ-UHFFFAOYSA-N	-1	0	299.348	0.957	20	30		CCEDRM
CCS(=O)(=O)[N-]C(=O)COc1ccc(C#N)cc1	ZINC000732607286	581837697	/nfs/dbraw/zinc/83/76/97/581837697.db2.gz	UWFVQIIEMDPHMH-UHFFFAOYSA-N	-1	0	268.294	0.403	20	30		CCEDRM
CC(C)N(CCC(=O)N1CCO[C@H](C#N)C1)C(=O)[O-]	ZINC000738838916	581848728	/nfs/dbraw/zinc/84/87/28/581848728.db2.gz	BETROEFXMCIUAD-SNVBAGLBSA-N	-1	0	269.301	0.516	20	30		CCEDRM
CCCC(=O)N1CCC[C@@H](C(=O)N(CC#N)CC(=O)[O-])C1	ZINC000736949697	581871861	/nfs/dbraw/zinc/87/18/61/581871861.db2.gz	VKMMHXVZCBOLLM-LLVKDONJSA-N	-1	0	295.339	0.462	20	30		CCEDRM
CCC[C@](C)(NS(=O)(=O)CCCC#N)C(=O)[O-]	ZINC000736960011	581872363	/nfs/dbraw/zinc/87/23/63/581872363.db2.gz	TXYDJQLDXQAGCT-JTQLQIEISA-N	-1	0	262.331	0.853	20	30		CCEDRM
C=CCS(=O)(=O)[N-]C(=O)c1cc([N+](=O)[O-])cn1C	ZINC000772715428	581885423	/nfs/dbraw/zinc/88/54/23/581885423.db2.gz	LOIGPXXTXXKOFG-UHFFFAOYSA-N	-1	0	273.270	0.179	20	30		CCEDRM
C=CCS(=O)(=O)[N-]C(=O)COCc1ccccc1	ZINC000772718115	581886109	/nfs/dbraw/zinc/88/61/09/581886109.db2.gz	YBTIPGZGEQGQGK-UHFFFAOYSA-N	-1	0	269.322	0.835	20	30		CCEDRM
C=CCS(=O)(=O)[N-]C(=O)c1ccc(C#N)nc1	ZINC000772720337	581886213	/nfs/dbraw/zinc/88/62/13/581886213.db2.gz	IYSFIYLQXZZNNX-UHFFFAOYSA-N	-1	0	251.267	0.199	20	30		CCEDRM
C=CCS(=O)(=O)[N-]C(=O)c1ncccc1CC	ZINC000772715855	581886247	/nfs/dbraw/zinc/88/62/47/581886247.db2.gz	XCAUTHIGMWNVET-UHFFFAOYSA-N	-1	0	254.311	0.890	20	30		CCEDRM
C=CCS(=O)(=O)[N-]C(=O)c1ccccc1OCCOC	ZINC000772721012	581886630	/nfs/dbraw/zinc/88/66/30/581886630.db2.gz	ANFADDGBILKOCB-UHFFFAOYSA-N	-1	0	299.348	0.957	20	30		CCEDRM
CCN(C[C@H](C)C#N)C(=O)COC(=O)[C@@H]1C[C@@H]1C(=O)[O-]	ZINC000737078393	581897869	/nfs/dbraw/zinc/89/78/69/581897869.db2.gz	LCAREDAQZKSTLL-KXUCPTDWSA-N	-1	0	282.296	0.258	20	30		CCEDRM
C=CCN(CC(=O)[O-])C(=O)CNC(=O)NC1CCCCC1	ZINC000762053914	581929898	/nfs/dbraw/zinc/92/98/98/581929898.db2.gz	YOYIQBBSHJTUKM-UHFFFAOYSA-N	-1	0	297.355	0.718	20	30		CCEDRM
C=CCN(CC(=O)[O-])S(=O)(=O)[C@H](C)C(F)(F)F	ZINC000275304373	581937351	/nfs/dbraw/zinc/93/73/51/581937351.db2.gz	NOFFXJZHNJBVFS-ZCFIWIBFSA-N	-1	0	275.248	0.840	20	30		CCEDRM
C[C@H]1COCC[C@H]1C(=O)[N-]S(=O)(=O)CC(C)(C)C#N	ZINC000774174082	581963200	/nfs/dbraw/zinc/96/32/00/581963200.db2.gz	NXPKEOWNBQCHDV-VHSXEESVSA-N	-1	0	288.369	0.655	20	30		CCEDRM
CN1CC[C@H](N[C@@H](C(=O)[O-])c2ccc(C#N)cc2)C1=O	ZINC000737514042	581969750	/nfs/dbraw/zinc/96/97/50/581969750.db2.gz	DBRCCEAHWSGACO-NWDGAFQWSA-N	-1	0	273.292	0.504	20	30		CCEDRM
COC(=O)CN(CC(=O)[O-])C(=O)c1ccc(C#N)cc1	ZINC000737608777	581990865	/nfs/dbraw/zinc/99/08/65/581990865.db2.gz	MLZPKHNPLATSEC-UHFFFAOYSA-N	-1	0	276.248	0.258	20	30		CCEDRM
COC(=O)CN(CC(=O)[O-])Cc1cccc(C#N)c1	ZINC000737619038	581992709	/nfs/dbraw/zinc/99/27/09/581992709.db2.gz	XMGJUAFTYZKQFD-UHFFFAOYSA-N	-1	0	262.265	0.618	20	30		CCEDRM
N#CCc1ccccc1C(=O)OCc1n[nH]c(=O)[n-]1	ZINC000774908390	582001791	/nfs/dbraw/zinc/00/17/91/582001791.db2.gz	FXDDDQRYROBRRH-UHFFFAOYSA-N	-1	0	258.237	0.933	20	30		CCEDRM
C=C(C)[C@@H](CC(=O)OCc1n[nH]c(=O)[n-]1)OCC	ZINC000774986471	582007371	/nfs/dbraw/zinc/00/73/71/582007371.db2.gz	UHSNNPIFCRRITI-MRVPVSSYSA-N	-1	0	255.274	0.925	20	30		CCEDRM
C#C[C@@H](NCc1cc(=O)n2[n-]ccc2n1)[C@@H]1CCCO1	ZINC000775790237	582038279	/nfs/dbraw/zinc/03/82/79/582038279.db2.gz	HILAGYDGWHYLBR-NEPJUHHUSA-N	-1	0	272.308	0.293	20	30		CCEDRM
C=CCS(=O)(=O)[N-]C(=O)c1ccn(C(F)F)n1	ZINC000776101379	582051070	/nfs/dbraw/zinc/05/10/70/582051070.db2.gz	QSYNXVAOOQIOMB-UHFFFAOYSA-N	-1	0	265.241	0.524	20	30		CCEDRM
N#CCCCS(=O)(=O)[N-]C(=O)[C@@H]1CCSC1	ZINC000776115176	582051653	/nfs/dbraw/zinc/05/16/53/582051653.db2.gz	IUOAELQCDCPYIS-MRVPVSSYSA-N	-1	0	262.356	0.489	20	30		CCEDRM
CC(C)c1ncncc1C(=O)[N-]S(=O)(=O)CCCC#N	ZINC000776116434	582052303	/nfs/dbraw/zinc/05/23/03/582052303.db2.gz	RXBNSMLJBLOSEP-UHFFFAOYSA-N	-1	0	296.352	0.963	20	30		CCEDRM
N#CCCCS(=O)(=O)[N-]C(=O)c1ccc(C#N)nc1	ZINC000776123515	582052703	/nfs/dbraw/zinc/05/27/03/582052703.db2.gz	NSTDNSQLCNZRGN-UHFFFAOYSA-N	-1	0	278.293	0.317	20	30		CCEDRM
C#CCNC(=O)N1CCC(CN(C)C(=O)[O-])CC1	ZINC000738463380	582053883	/nfs/dbraw/zinc/05/38/83/582053883.db2.gz	RSZDREHIULDBHS-UHFFFAOYSA-N	-1	0	253.302	0.651	20	30		CCEDRM
Cc1nn(C)c(C)c1C(=O)[N-]S(=O)(=O)CC(C)(C)C#N	ZINC000776143245	582054124	/nfs/dbraw/zinc/05/41/24/582054124.db2.gz	OCLPWFMMFAVSKG-UHFFFAOYSA-N	-1	0	298.368	0.646	20	30		CCEDRM
C=C(Br)CNC(=O)CN(C)C(=O)[O-]	ZINC000738471610	582054466	/nfs/dbraw/zinc/05/44/66/582054466.db2.gz	UZADJVPAORFIHW-UHFFFAOYSA-N	-1	0	251.080	0.621	20	30		CCEDRM
CCOCCCC(=O)[N-]S(=O)(=O)CC(C)(C)C#N	ZINC000776145352	582054674	/nfs/dbraw/zinc/05/46/74/582054674.db2.gz	AWBUUFRTNDBGTG-UHFFFAOYSA-N	-1	0	276.358	0.799	20	30		CCEDRM
CC(C)(C#N)CS(=O)(=O)[N-]C(=O)CC[C@H]1CCOC1	ZINC000776146196	582055211	/nfs/dbraw/zinc/05/52/11/582055211.db2.gz	KUPSRXBVJKNJQF-JTQLQIEISA-N	-1	0	288.369	0.799	20	30		CCEDRM
C=CCNC(=O)[C@H](C)N1CCC[C@@H](N(C)C(=O)[O-])C1	ZINC000738495707	582056525	/nfs/dbraw/zinc/05/65/25/582056525.db2.gz	OBDRYIIKGWNLPL-WDEREUQCSA-N	-1	0	269.345	0.751	20	30		CCEDRM
C=CCn1c(C)nn(CN(C)CC(=O)[O-])c1=S	ZINC000738502917	582057171	/nfs/dbraw/zinc/05/71/71/582057171.db2.gz	JKTFVEDGJRPKEY-UHFFFAOYSA-N	-1	0	256.331	0.882	20	30		CCEDRM
C=CCOc1cccc(NC(=O)C(=O)NCC(=O)[O-])c1	ZINC000738505691	582057348	/nfs/dbraw/zinc/05/73/48/582057348.db2.gz	QQXKRTGSSTUWJO-UHFFFAOYSA-N	-1	0	278.264	0.391	20	30		CCEDRM
C=CCn1nnnc1SC[C@H]1CCN(C(=O)[O-])C1	ZINC000738503779	582057388	/nfs/dbraw/zinc/05/73/88/582057388.db2.gz	VOWDXJBBUZKHEO-QMMMGPOBSA-N	-1	0	269.330	0.951	20	30		CCEDRM
CC(C)(C#N)CS(=O)(=O)[N-]C(=O)[C@@H]1C[C@]12CCOC2	ZINC000764791452	582068986	/nfs/dbraw/zinc/06/89/86/582068986.db2.gz	VQGWQKOKPRFNHN-CABZTGNLSA-N	-1	0	286.353	0.409	20	30		CCEDRM
C#C[C@H](NC(=O)c1ccc(C(=O)[O-])nc1)[C@H]1CCCO1	ZINC000776403914	582071949	/nfs/dbraw/zinc/07/19/49/582071949.db2.gz	HFQDCNSWWZRJLA-CMPLNLGQSA-N	-1	0	274.276	0.690	20	30		CCEDRM
C=CC[C@H](NS(=O)(=O)c1cn2c(n1)CCCC2)C(=O)[O-]	ZINC000776445869	582073346	/nfs/dbraw/zinc/07/33/46/582073346.db2.gz	XYDQQTUOJALONF-VIFPVBQESA-N	-1	0	299.352	0.527	20	30		CCEDRM
Cc1nc2ccccc2n1CC(=O)N(CC#N)CC(=O)[O-]	ZINC000738874997	582085184	/nfs/dbraw/zinc/08/51/84/582085184.db2.gz	PDUJTVBPAHCCTA-UHFFFAOYSA-N	-1	0	286.291	0.782	20	30		CCEDRM
CC(C)(C)CN(CCC#N)C(=O)c1cc(=O)[nH][n-]1	ZINC000765179312	582094052	/nfs/dbraw/zinc/09/40/52/582094052.db2.gz	ZPOIYJIIPUDUBL-UHFFFAOYSA-N	-1	0	250.302	0.651	20	30		CCEDRM
N#CC1(NC(=O)c2ccc(C(=O)[O-])cn2)CCOCC1	ZINC000739066826	582100489	/nfs/dbraw/zinc/10/04/89/582100489.db2.gz	RYVXMYARAWXNMR-UHFFFAOYSA-N	-1	0	275.264	0.582	20	30		CCEDRM
N#CC1(NC(=O)COC(=O)[C@@H]2C[C@@H]2C(=O)[O-])CCCCC1	ZINC000739066911	582100497	/nfs/dbraw/zinc/10/04/97/582100497.db2.gz	UXIXAMJHHREYLF-VHSXEESVSA-N	-1	0	294.307	0.593	20	30		CCEDRM
N#CCCn1ccc(NC(=S)NCCCC(=O)[O-])n1	ZINC000739075634	582101228	/nfs/dbraw/zinc/10/12/28/582101228.db2.gz	KKDCTTZNWVEUGH-UHFFFAOYSA-N	-1	0	281.341	0.948	20	30		CCEDRM
N#CCN(CC(=O)[O-])C(=O)CCOc1cccc(C=O)c1	ZINC000739077435	582101454	/nfs/dbraw/zinc/10/14/54/582101454.db2.gz	OQUKLXXWTBJXOH-UHFFFAOYSA-N	-1	0	290.275	0.705	20	30		CCEDRM
N#CCN(CC(=O)[O-])C(=O)c1ccc2nccnc2c1	ZINC000739087493	582102122	/nfs/dbraw/zinc/10/21/22/582102122.db2.gz	MRNAZVMZSNKQAC-UHFFFAOYSA-N	-1	0	270.248	0.680	20	30		CCEDRM
C=C(Br)CNC(=O)[C@H]1CN(C(=O)[O-])CCO1	ZINC000823475526	613237814	/nfs/dbraw/zinc/23/78/14/613237814.db2.gz	YTNLIPPNJRWRKE-SSDOTTSWSA-N	-1	0	293.117	0.390	20	30		CCEDRM
CCCCCCCS(=O)(=O)N[C@H](COC)C(=O)[O-]	ZINC000830085928	614903796	/nfs/dbraw/zinc/90/37/96/614903796.db2.gz	RMNMFTICFSKWRQ-SNVBAGLBSA-N	-1	0	281.374	0.976	20	30		CCEDRM
CCN(CC)C(=O)N1CCN(C(=O)[O-])C[C@@H]1C#N	ZINC000827029305	614982084	/nfs/dbraw/zinc/98/20/84/614982084.db2.gz	IFCGQRJLXUHFQJ-VIFPVBQESA-N	-1	0	254.290	0.636	20	30		CCEDRM
COCC1(CC(=O)[N-]S(=O)(=O)CCCC#N)CC1	ZINC000842751952	616760755	/nfs/dbraw/zinc/76/07/55/616760755.db2.gz	FBCMZBDPQPFJDE-UHFFFAOYSA-N	-1	0	274.342	0.553	20	30		CCEDRM
N#Cc1csc(C(=O)N2CCO[C@H](C(=O)[O-])C2)c1	ZINC000819111005	596932476	/nfs/dbraw/zinc/93/24/76/596932476.db2.gz	IPCGMWLOMPYZGF-QMMMGPOBSA-N	-1	0	266.278	0.545	20	30		CCEDRM
C#CCCCS(=O)(=O)[N-]c1nn(C)cc1C(=O)OC	ZINC000903678002	612985721	/nfs/dbraw/zinc/98/57/21/612985721.db2.gz	AYQVDYUSGKMOFN-UHFFFAOYSA-N	-1	0	285.325	0.362	20	30		CCEDRM
Cc1ccc(C#N)cc1NC(=O)C(=O)N[C@@H](C)C(=O)[O-]	ZINC000818871034	597518167	/nfs/dbraw/zinc/51/81/67/597518167.db2.gz	KLAKKHOKRINYNG-QMMMGPOBSA-N	-1	0	275.264	0.395	20	30		CCEDRM
C[C@H](NC(=O)[C@](C)(C#N)CC(=O)[O-])[C@@H]1CCCOC1	ZINC000820113887	597611672	/nfs/dbraw/zinc/61/16/72/597611672.db2.gz	HXFOIHXIZUELIF-CWSCBRNRSA-N	-1	0	268.313	0.922	20	30		CCEDRM
C[C@](C#N)(CC(=O)[O-])C(=O)OCC(=O)C1CCOCC1	ZINC000819866082	597619559	/nfs/dbraw/zinc/61/95/59/597619559.db2.gz	RJXFFPLJNOTMOL-CYBMUJFWSA-N	-1	0	283.280	0.530	20	30		CCEDRM
C[C@@](C#N)(CC(=O)[O-])C(=O)OCC[C@@H]1CCOC1=O	ZINC000819865432	597622920	/nfs/dbraw/zinc/62/29/20/597622920.db2.gz	LDEJUWQWWOTEJS-UFBFGSQYSA-N	-1	0	269.253	0.487	20	30		CCEDRM
C[C@](C#N)(CC(=O)[O-])C(=O)NC[C@H](CO)Cc1ccco1	ZINC000819832469	597632961	/nfs/dbraw/zinc/63/29/61/597632961.db2.gz	BJFUVNJNTZHDGN-QMTHXVAHSA-N	-1	0	294.307	0.551	20	30		CCEDRM
Cc1cc(CN(C)C(=O)[C@](C)(C#N)CC(=O)[O-])no1	ZINC000820976648	597634102	/nfs/dbraw/zinc/63/41/02/597634102.db2.gz	OPPSEBQZYPDDMV-LBPRGKRZSA-N	-1	0	265.269	0.946	20	30		CCEDRM
C[C@@](C#N)(CC(=O)[O-])C(=O)NCc1cn2c(n1)CCCC2	ZINC000819847489	597643426	/nfs/dbraw/zinc/64/34/26/597643426.db2.gz	NAOJHOBHDABTFG-AWEZNQCLSA-N	-1	0	290.323	0.840	20	30		CCEDRM
C[C@](C#N)(CC(=O)[O-])C(=O)NCCOC[C@@H]1CCOC1	ZINC000819843143	597645618	/nfs/dbraw/zinc/64/56/18/597645618.db2.gz	YLSJPRXDTWDELC-ZWNOBZJWSA-N	-1	0	284.312	0.160	20	30		CCEDRM
C[C@](C#N)(CC(=O)[O-])C(=O)NC[C@H]1CCCC[C@@H]1O	ZINC000819834845	597652786	/nfs/dbraw/zinc/65/27/86/597652786.db2.gz	PLSICBKIPAUSAO-GBIKHYSHSA-N	-1	0	268.313	0.658	20	30		CCEDRM
C[C@@H](NC(=O)[C@](C)(C#N)CC(=O)[O-])c1cn[nH]c1	ZINC000820115861	597660152	/nfs/dbraw/zinc/66/01/52/597660152.db2.gz	ZTHBXVHXYVXOOT-HQJQHLMTSA-N	-1	0	250.258	0.591	20	30		CCEDRM
COc1cc(C)c(C=Nn2c(=O)[n-][nH]c2=O)c(C)n1	ZINC000814232721	617173997	/nfs/dbraw/zinc/17/39/97/617173997.db2.gz	JPCBDPUHFAYDKY-UHFFFAOYSA-N	-1	0	263.257	0.592	20	30		CCEDRM
N#Cc1cc(NCC(=O)NCC(=O)[O-])ccc1Cl	ZINC000821329955	597745054	/nfs/dbraw/zinc/74/50/54/597745054.db2.gz	PHDLFLVLTIPIJE-UHFFFAOYSA-N	-1	0	267.672	0.824	20	30		CCEDRM
O=C([O-])c1cccc(C=NN[C@@H]2CCS(=O)(=O)C2)c1	ZINC000814680610	598200953	/nfs/dbraw/zinc/20/09/53/598200953.db2.gz	ZJVVZEXGTCJEBM-LLVKDONJSA-N	-1	0	282.321	0.495	20	30		CCEDRM
C[C@@](C#N)(CC(=O)[O-])C(=O)N1CCN(C(=O)C2CC2)CC1	ZINC000819811563	598222222	/nfs/dbraw/zinc/22/22/22/598222222.db2.gz	QXPQEWUAICORGQ-AWEZNQCLSA-N	-1	0	293.323	0.072	20	30		CCEDRM
C[C@@](C#N)(CC(=O)[O-])C(=O)Nc1ccc(F)c(C(N)=O)c1	ZINC000819848269	598223806	/nfs/dbraw/zinc/22/38/06/598223806.db2.gz	RRCYCEIPLHRLSJ-ZDUSSCGKSA-N	-1	0	293.254	0.868	20	30		CCEDRM
C[C@@](C#N)(CC(=O)[O-])C(=O)N1CCN(C2CC2)[C@@H](C#N)C1	ZINC000819821221	598227347	/nfs/dbraw/zinc/22/73/47/598227347.db2.gz	DNYYXCSHMYDWLE-FZMZJTMJSA-N	-1	0	290.323	0.190	20	30		CCEDRM
C[C@@](C#N)(CC(=O)[O-])C(=O)N1CCN(C2CC2)[C@H](C#N)C1	ZINC000819821222	598227394	/nfs/dbraw/zinc/22/73/94/598227394.db2.gz	DNYYXCSHMYDWLE-RISCZKNCSA-N	-1	0	290.323	0.190	20	30		CCEDRM
Cc1noc(COC(=O)[C@](C)(C#N)CC(=O)[O-])n1	ZINC000821236063	598227761	/nfs/dbraw/zinc/22/77/61/598227761.db2.gz	RXSMFGAGJXCGKE-JTQLQIEISA-N	-1	0	253.214	0.426	20	30		CCEDRM
C#CCO[N-]C(=O)[C@H]1COc2cc(OC)ccc2C1	ZINC000812785239	612992988	/nfs/dbraw/zinc/99/29/88/612992988.db2.gz	XDVPQXBVVMZVQY-LLVKDONJSA-N	-1	0	261.277	0.927	20	30		CCEDRM
C#CCO[C@@H](C)C(=O)N[C@@H](CC(=O)[O-])c1ccncc1	ZINC000911663272	612996965	/nfs/dbraw/zinc/99/69/65/612996965.db2.gz	OOYKCDOOQHYHTO-JQWIXIFHSA-N	-1	0	276.292	0.752	20	30		CCEDRM
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C#CCCNS(=O)(=O)c1ccc(CC(=O)[O-])cc1	ZINC000070246341	600652144	/nfs/dbraw/zinc/65/21/44/600652144.db2.gz	ASPMXAQDXXKFNP-UHFFFAOYSA-N	-1	0	267.306	0.615	20	30		CCEDRM
N#CCSCC(=O)N(CCC(=O)[O-])C1CCOCC1	ZINC000833067960	600962688	/nfs/dbraw/zinc/96/26/88/600962688.db2.gz	LGTXWSKTXLUHLF-UHFFFAOYSA-N	-1	0	286.353	0.725	20	30		CCEDRM
N#CCN(CCn1cnc2ccccc2c1=O)CC(=O)[O-]	ZINC000833067479	601004469	/nfs/dbraw/zinc/00/44/69/601004469.db2.gz	VRWZRJKCTPLILU-UHFFFAOYSA-N	-1	0	286.291	0.307	20	30		CCEDRM
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N#Cc1ccc([C@@H](C(=O)[O-])N2CCn3cnnc3C2)cc1	ZINC000833070722	601114138	/nfs/dbraw/zinc/11/41/38/601114138.db2.gz	AHBPBKUYNWVNFX-ZDUSSCGKSA-N	-1	0	283.291	0.791	20	30		CCEDRM
N#Cc1ccc([C@@H](OC(=O)c2nonc2N)C(=O)[O-])cc1	ZINC000833071399	601122086	/nfs/dbraw/zinc/12/20/86/601122086.db2.gz	FJLPKJHTSQJLGN-SECBINFHSA-N	-1	0	288.219	0.506	20	30		CCEDRM
C#CCNC(=O)CNc1cc(C(=O)[O-])cc(OC)c1OC	ZINC000825620087	601250828	/nfs/dbraw/zinc/25/08/28/601250828.db2.gz	VHNJIWBJPOFXKY-UHFFFAOYSA-N	-1	0	292.291	0.563	20	30		CCEDRM
CC(C)(CCC(=O)[O-])NS(=O)(=O)CCCC#N	ZINC000261775396	601258140	/nfs/dbraw/zinc/25/81/40/601258140.db2.gz	ZPEMBDPJDQJCGR-UHFFFAOYSA-N	-1	0	262.331	0.853	20	30		CCEDRM
C#CCN(CC#C)S(=O)(=O)c1ccccc1C(=O)[O-]	ZINC000688514623	601386979	/nfs/dbraw/zinc/38/69/79/601386979.db2.gz	UOSYTNLYGIPULN-UHFFFAOYSA-N	-1	0	277.301	0.642	20	30		CCEDRM
N#Cc1c[nH]c(C(=O)N(CCC(=O)[O-])C2CCOCC2)c1	ZINC000833067425	601452870	/nfs/dbraw/zinc/45/28/70/601452870.db2.gz	CXXACWLILATCTP-UHFFFAOYSA-N	-1	0	291.307	0.982	20	30		CCEDRM
N#Cc1ccc(C(=O)N2CCOC[C@H]2C(=O)[O-])s1	ZINC000833070503	601606450	/nfs/dbraw/zinc/60/64/50/601606450.db2.gz	JLELAIJVYLHSCG-QMMMGPOBSA-N	-1	0	266.278	0.545	20	30		CCEDRM
N#Cc1ccc(C(=O)N2CCO[C@@H](CC(=O)[O-])C2)cc1	ZINC000091292543	601671089	/nfs/dbraw/zinc/67/10/89/601671089.db2.gz	KIIJBOZNNXTJEO-LBPRGKRZSA-N	-1	0	274.276	0.874	20	30		CCEDRM
N#CCN(CC(=O)[O-])C(=O)Cc1c(F)cccc1F	ZINC000833066133	601680200	/nfs/dbraw/zinc/68/02/00/601680200.db2.gz	OWHUODFDKYIHBM-UHFFFAOYSA-N	-1	0	268.219	0.944	20	30		CCEDRM
COC[C@](C)(NC(=O)c1ccc(C#N)cc1)C(=O)[O-]	ZINC000328543907	601692663	/nfs/dbraw/zinc/69/26/63/601692663.db2.gz	KYNYRMQFODSTLZ-ZDUSSCGKSA-N	-1	0	262.265	0.778	20	30		CCEDRM
C[C@@H]1CN(C(=O)c2cc(C#N)cn2C)C[C@@H]1C(=O)[O-]	ZINC000828386834	601694140	/nfs/dbraw/zinc/69/41/40/601694140.db2.gz	OSSPGPONAHVNDG-SCZZXKLOSA-N	-1	0	261.281	0.689	20	30		CCEDRM
N#Cc1cc(F)c(C(=O)N[C@]2(C(=O)[O-])CCOC2)c(F)c1	ZINC000833068596	601739173	/nfs/dbraw/zinc/73/91/73/601739173.db2.gz	DAWBHKIIGIRTLD-CYBMUJFWSA-N	-1	0	296.229	0.810	20	30		CCEDRM
C#CCSCCNC(=O)N1CCO[C@H](CC(=O)[O-])C1	ZINC000231959168	601777113	/nfs/dbraw/zinc/77/71/13/601777113.db2.gz	FNHSPOOSTDHZMK-SNVBAGLBSA-N	-1	0	286.353	0.238	20	30		CCEDRM
C[C@H](Cn1cc(C(=O)[O-])cc(C#N)c1=O)CS(C)(=O)=O	ZINC000827597054	601892486	/nfs/dbraw/zinc/89/24/86/601892486.db2.gz	KEWOCQBKZBAFMO-MRVPVSSYSA-N	-1	0	298.320	0.099	20	30		CCEDRM
C[C@@]1(C(=O)[O-])CCN(C(=O)C2(C#N)CCOCC2)C1	ZINC000827980562	602001611	/nfs/dbraw/zinc/00/16/11/602001611.db2.gz	DGTZLPMURUPLDC-GFCCVEGCSA-N	-1	0	266.297	0.630	20	30		CCEDRM
CC1CC(C#N)(C(=O)N2CCO[C@@H](CC(=O)[O-])C2)C1	ZINC000828148770	602048065	/nfs/dbraw/zinc/04/80/65/602048065.db2.gz	DTZHOBJCMZYRNL-QUNCOHTASA-N	-1	0	266.297	0.628	20	30		CCEDRM
C#CCNC(=O)[C@@H](C)OC(=O)[C@H](CC(C)C)NC(=O)[O-]	ZINC000823455287	612949127	/nfs/dbraw/zinc/94/91/27/612949127.db2.gz	BRUFEGJAEBUDEN-ZJUUUORDSA-N	-1	0	284.312	0.350	20	30		CCEDRM
C[C@H](CC(=O)[O-])C(=O)[C@H](C#N)C(=O)N1CCCC1	ZINC000827241379	602181092	/nfs/dbraw/zinc/18/10/92/602181092.db2.gz	WLOUPFWKWMXYIL-BDAKNGLRSA-N	-1	0	252.270	0.428	20	30		CCEDRM
N#C[C@@H](NC(=O)C[C@H]1CCCN1C(=O)[O-])C1CC1	ZINC000831070883	602895545	/nfs/dbraw/zinc/89/55/45/602895545.db2.gz	UKCQRWCTMMOOHS-NXEZZACHSA-N	-1	0	251.286	0.937	20	30		CCEDRM
COc1cc(C=NNc2nnc(C)c(=O)[n-]2)cc(O)c1O	ZINC000916282800	617179665	/nfs/dbraw/zinc/17/96/65/617179665.db2.gz	QRJMCUDOYRRKHD-UHFFFAOYSA-N	-1	0	291.267	0.751	20	30		CCEDRM
C#CCNC(=O)[C@H](C)OC(=O)[C@@H]1CCC[C@H](C(=O)[O-])C1	ZINC000825618334	612951056	/nfs/dbraw/zinc/95/10/56/612951056.db2.gz	AABPZMBQAHIZNM-GARJFASQSA-N	-1	0	281.308	0.559	20	30		CCEDRM
C[C@H](C#N)CN(C)C(=O)NCC(C)(C)NC(=O)[O-]	ZINC000823646714	603451605	/nfs/dbraw/zinc/45/16/05/603451605.db2.gz	GCUUGWWAUBXOMW-MRVPVSSYSA-N	-1	0	256.306	0.834	20	30		CCEDRM
Cn1cc(C#N)cc1C(=O)N[C@@H](CNC(=O)[O-])C1CC1	ZINC000830984769	603519719	/nfs/dbraw/zinc/51/97/19/603519719.db2.gz	HPLJYJMKUMPJPA-JTQLQIEISA-N	-1	0	276.296	0.673	20	30		CCEDRM
Cc1nccc(C(=O)N2CCN(C(=O)[O-])C[C@H]2C#N)n1	ZINC000830812441	603599987	/nfs/dbraw/zinc/59/99/87/603599987.db2.gz	FRVIHGASMQIGKR-SECBINFHSA-N	-1	0	275.268	0.113	20	30		CCEDRM
C[C@@H](CC#N)N(C)CN1C[C@@H]2CN(C(=O)[O-])CCN2C1=O	ZINC000824544483	603602352	/nfs/dbraw/zinc/60/23/52/603602352.db2.gz	QSIPADNSKZRWTP-QWRGUYRKSA-N	-1	0	295.343	0.278	20	30		CCEDRM
N#C[C@H]1CN(C(=O)[O-])CCN1C(=O)CCc1ccncc1	ZINC000831082841	603602420	/nfs/dbraw/zinc/60/24/20/603602420.db2.gz	SCUZJRMRQSQHQH-LBPRGKRZSA-N	-1	0	288.307	0.729	20	30		CCEDRM
C[C@@H](COC(=O)c1cc(C#N)cn1C)NC(=O)[O-]	ZINC000824993765	603675055	/nfs/dbraw/zinc/67/50/55/603675055.db2.gz	CBLSJGWZLWWJPI-ZETCQYMHSA-N	-1	0	251.242	0.710	20	30		CCEDRM
N#C[C@@H]1CN(C(=O)[O-])CCN1CCOC[C@H]1CCCO1	ZINC000831092678	603728253	/nfs/dbraw/zinc/72/82/53/603728253.db2.gz	XTPPHJCVUVUSTK-VXGBXAGGSA-N	-1	0	283.328	0.370	20	30		CCEDRM
N#Cc1cccc(NC(=O)COC2CN(C(=O)[O-])C2)c1	ZINC000831152696	603744148	/nfs/dbraw/zinc/74/41/48/603744148.db2.gz	JJLMOMRBSDQDSZ-UHFFFAOYSA-N	-1	0	275.264	0.876	20	30		CCEDRM
N#CCn1cc(NC(=O)[C@H]2CC[C@@H](NC(=O)[O-])C2)cn1	ZINC000831109645	603962252	/nfs/dbraw/zinc/96/22/52/603962252.db2.gz	PPUZVJWYGVZMHJ-DTWKUNHWSA-N	-1	0	277.284	0.781	20	30		CCEDRM
N#CCN(CC#N)C(=O)[C@@H]1CC[C@@H](NC(=O)[O-])C1	ZINC000831097544	603964648	/nfs/dbraw/zinc/96/46/48/603964648.db2.gz	KMSNPEDYZVOEFA-RKDXNWHRSA-N	-1	0	250.258	0.298	20	30		CCEDRM
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N#C[C@@H]1CN(C(=O)[O-])CCN1C(=O)[C@H]1C[C@@H]1C1CC1	ZINC000831076158	604071479	/nfs/dbraw/zinc/07/14/79/604071479.db2.gz	GWERNTVWBIOKAR-MXWKQRLJSA-N	-1	0	263.297	0.747	20	30		CCEDRM
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C[C@H](CCNC(=O)Nc1nn(C)cc1C#N)NC(=O)[O-]	ZINC000824803157	604153915	/nfs/dbraw/zinc/15/39/15/604153915.db2.gz	QALCIKVGLLNWFB-SSDOTTSWSA-N	-1	0	280.288	0.459	20	30		CCEDRM
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N#CCSCC(=O)NC[C@@H]1CCN(C(=O)[O-])C1	ZINC000833968554	605530212	/nfs/dbraw/zinc/53/02/12/605530212.db2.gz	TYOFSLUHDPIPON-QMMMGPOBSA-N	-1	0	257.315	0.359	20	30		CCEDRM
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N#C[C@@H]1CN(C(=O)[O-])C[C@H]1NC[C@H](O)c1ccccc1F	ZINC000833969042	605685608	/nfs/dbraw/zinc/68/56/08/605685608.db2.gz	ZQPWZPAFTBGHSZ-WQAKAFBOSA-N	-1	0	293.298	0.951	20	30		CCEDRM
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N#CCSCc1nc([C@@H]2COCCN2C(=O)[O-])no1	ZINC000833967315	605701340	/nfs/dbraw/zinc/70/13/40/605701340.db2.gz	JMPWEDRSMHJVST-ZETCQYMHSA-N	-1	0	284.297	0.878	20	30		CCEDRM
Cn1cc(C#N)c(NC(=O)NC[C@@H](NC(=O)[O-])C2CC2)n1	ZINC000833946178	605896246	/nfs/dbraw/zinc/89/62/46/605896246.db2.gz	XYAZULQICWPILI-SECBINFHSA-N	-1	0	292.299	0.459	20	30		CCEDRM
N#C[C@H]1CSCCN1C(=O)C[C@H]1CCCN1C(=O)[O-]	ZINC000833967450	605978683	/nfs/dbraw/zinc/97/86/83/605978683.db2.gz	RBECERNSYCPSTD-ZJUUUORDSA-N	-1	0	283.353	0.986	20	30		CCEDRM
N#CC1(NC(=O)c2cnc(NC(=O)[O-])cn2)CCC1	ZINC000833963082	606036594	/nfs/dbraw/zinc/03/65/94/606036594.db2.gz	GUJNUVBWDJPVHE-UHFFFAOYSA-N	-1	0	261.241	0.743	20	30		CCEDRM
Cc1[nH]nc(C(=O)Nc2nc(C#N)c(-c3nn[nH]n3)[n-]2)c1C	ZINC000822414623	606158472	/nfs/dbraw/zinc/15/84/72/606158472.db2.gz	NQYZZKUKMOUDJZ-UHFFFAOYSA-N	-1	0	298.270	0.054	20	30		CCEDRM
C#CCCS(=O)(=O)[N-]C(=O)CCNC(=O)CC(C)C	ZINC000810782057	613052794	/nfs/dbraw/zinc/05/27/94/613052794.db2.gz	HEMFSDLZMGWBDJ-UHFFFAOYSA-N	-1	0	288.369	0.008	20	30		CCEDRM
C#CCCS(=O)(=O)[N-]C(=O)CCn1cc(Cl)cn1	ZINC000810783636	613052817	/nfs/dbraw/zinc/05/28/17/613052817.db2.gz	XVZXXOOCRAESEK-UHFFFAOYSA-N	-1	0	289.744	0.396	20	30		CCEDRM
C#CCCS(=O)(=O)[N-]C(=O)CCc1ccncc1	ZINC000798203416	613052819	/nfs/dbraw/zinc/05/28/19/613052819.db2.gz	ZMERDSBONDEQJO-UHFFFAOYSA-N	-1	0	266.322	0.484	20	30		CCEDRM
C#CCCS(=O)(=O)[N-]C(=O)CCOC[C@@H]1CCCO1	ZINC000810783931	613052703	/nfs/dbraw/zinc/05/27/03/613052703.db2.gz	KWGRTQGLADTPQR-NSHDSACASA-N	-1	0	289.353	0.041	20	30		CCEDRM
C#CCCS(=O)(=O)[N-]C(=O)[C@@H]1CSCCS1	ZINC000798202796	613053155	/nfs/dbraw/zinc/05/31/55/613053155.db2.gz	MLZYMEJHTVYBMQ-QMMMGPOBSA-N	-1	0	279.408	0.304	20	30		CCEDRM
C#CC[C@H](CO)NC(=O)c1cc(C(=O)[O-])oc1C	ZINC000911395825	613057485	/nfs/dbraw/zinc/05/74/85/613057485.db2.gz	UEVGDRZGTKLADA-MRVPVSSYSA-N	-1	0	251.238	0.400	20	30		CCEDRM
C#CC[C@H]1NC(=O)N(Cc2nc(C(F)(F)F)n[nH]2)C1=O	ZINC000927677982	613075852	/nfs/dbraw/zinc/07/58/52/613075852.db2.gz	XAHFEBXLVNOUHI-RXMQYKEDSA-N	-1	0	287.201	0.267	20	30		CCEDRM
C#C[C@@H](C)NS(=O)(=O)N=[S@@](C)(=O)C(C)(C)C	ZINC000872480739	613082302	/nfs/dbraw/zinc/08/23/02/613082302.db2.gz	XKGBLGKAVSJFOE-GLEZIHRCSA-N	-1	0	266.388	0.739	20	30		CCEDRM
COc1cc2c(cc1OC)C(=NNCC(=O)[O-])C(=O)N2	ZINC000814960552	617218849	/nfs/dbraw/zinc/21/88/49/617218849.db2.gz	TZEQURPOKDEQBD-UHFFFAOYSA-N	-1	0	279.252	0.034	20	30		CCEDRM
CC(C)(C)[C@@H](C#N)NC(=O)[C@@H]1CN(C(=O)[O-])CCO1	ZINC000823754279	614021204	/nfs/dbraw/zinc/02/12/04/614021204.db2.gz	GJNULCYZFWRWLM-DTWKUNHWSA-N	-1	0	269.301	0.420	20	30		CCEDRM
CC(C)[C@@H](C#N)NC(=O)CO[C@@H]1CCCN(C(=O)[O-])C1	ZINC000824057230	614072233	/nfs/dbraw/zinc/07/22/33/614072233.db2.gz	PSHCFTNDFVZLHP-GHMZBOCLSA-N	-1	0	283.328	0.810	20	30		CCEDRM
C#CCOCCC(=O)NC1CCC(C(=O)[O-])CC1	ZINC000819705833	612979011	/nfs/dbraw/zinc/97/90/11/612979011.db2.gz	IIQGDQSSBCTMIC-UHFFFAOYSA-N	-1	0	253.298	0.786	20	30		CCEDRM
CC(CS(=O)(=O)c1ccccc1)=NNCCC(=O)[O-]	ZINC000820102004	614381937	/nfs/dbraw/zinc/38/19/37/614381937.db2.gz	MDTSKIYHZSZAMS-UHFFFAOYSA-N	-1	0	284.337	0.901	20	30		CCEDRM
CC(C)(C(=O)[N-]S(=O)(=O)CCC#N)[C@@H]1CCCCO1	ZINC000870350345	614299657	/nfs/dbraw/zinc/29/96/57/614299657.db2.gz	BBBVSWODQCTDDC-JTQLQIEISA-N	-1	0	288.369	0.941	20	30		CCEDRM
COc1ccc(C(=O)[N-]S(=O)(=O)CCC#N)cc1F	ZINC000835412716	617230942	/nfs/dbraw/zinc/23/09/42/617230942.db2.gz	WTVHYYKBPNDSMM-UHFFFAOYSA-N	-1	0	286.284	0.808	20	30		CCEDRM
COc1ccc(CCC(=O)[N-]S(=O)(=O)CCC#N)cc1	ZINC000821584290	617244487	/nfs/dbraw/zinc/24/44/87/617244487.db2.gz	XLJUYIOEYNRTSY-UHFFFAOYSA-N	-1	0	296.348	0.987	20	30		CCEDRM
COc1ccc2c(c1)C(=NNCC(=O)[O-])C(=O)N2C	ZINC000844599382	617283380	/nfs/dbraw/zinc/28/33/80/617283380.db2.gz	DVWCGLVCEZEFPH-UHFFFAOYSA-N	-1	0	263.253	0.050	20	30		CCEDRM
C[C@@H](C#N)[N-]S(=O)(=O)N=[S@@](C)(=O)C(C)(C)C	ZINC000906060214	617296851	/nfs/dbraw/zinc/29/68/51/617296851.db2.gz	FWVWUJRPXZTEIT-ZIDLFYJRSA-N	-1	0	267.376	0.629	20	30		CCEDRM
C#CCOCCC(=O)N1CCC2(C[C@H]2C(=O)[O-])CC1	ZINC000833364097	612977569	/nfs/dbraw/zinc/97/75/69/612977569.db2.gz	JKVOAGVEGUTCOO-NSHDSACASA-N	-1	0	265.309	0.740	20	30		CCEDRM
C#CCCCCNC(=O)c1cc(-c2nn[nH]n2)cn1C	ZINC000819693315	612978348	/nfs/dbraw/zinc/97/83/48/612978348.db2.gz	PXGHUIXUIAFJTQ-UHFFFAOYSA-N	-1	0	272.312	0.739	20	30		CCEDRM
C#CCO[N-]C(=O)[C@H]1CCCN1C(=O)Cc1cccs1	ZINC000812786469	612992937	/nfs/dbraw/zinc/99/29/37/612992937.db2.gz	LOVRCVPTOCXSOY-GFCCVEGCSA-N	-1	0	292.360	0.963	20	30		CCEDRM
C#CCO[C@H](C)C(=O)[N-]S(=O)(=O)c1cn(C(C)C)cn1	ZINC000835248354	613002131	/nfs/dbraw/zinc/00/21/31/613002131.db2.gz	HALXTEGEZLOZPE-SNVBAGLBSA-N	-1	0	299.352	0.307	20	30		CCEDRM
C#CCCN1CCN(C(=O)C(C)(C)CNC(=O)[O-])CC1	ZINC000823445400	613009119	/nfs/dbraw/zinc/00/91/19/613009119.db2.gz	ZNCQHPNOELXODR-UHFFFAOYSA-N	-1	0	281.356	0.448	20	30		CCEDRM
C#CC[C@@H](CO)NC(=O)c1cc([O-])ccc1[N+](=O)[O-]	ZINC000816669187	613028924	/nfs/dbraw/zinc/02/89/24/613028924.db2.gz	JREZRQSXXZVXSY-QMMMGPOBSA-N	-1	0	264.237	0.414	20	30		CCEDRM
C#CC[C@@H](NC(=O)CSc1nc(C)cc(C)n1)C(=O)[O-]	ZINC000910053612	613040146	/nfs/dbraw/zinc/04/01/46/613040146.db2.gz	WINMJTMTVFONJY-SNVBAGLBSA-N	-1	0	293.348	0.778	20	30		CCEDRM
C#CC[C@@H](NC(=O)[C@@H]1CCc2n[nH]cc2C1)C(=O)[O-]	ZINC000910050126	613040701	/nfs/dbraw/zinc/04/07/01/613040701.db2.gz	FQTKTNPKISJDTN-LDYMZIIASA-N	-1	0	261.281	0.107	20	30		CCEDRM
C#CC[C@@H](NC(=O)c1cc(C(C)C)n(C)n1)C(=O)[O-]	ZINC000910054104	613041577	/nfs/dbraw/zinc/04/15/77/613041577.db2.gz	JCMIEXJXDKSUPO-SECBINFHSA-N	-1	0	263.297	0.750	20	30		CCEDRM
C#CC[C@@H](NC(=O)c1cc(=O)[nH]c(C2CC2)c1)C(=O)[O-]	ZINC000910048949	613041840	/nfs/dbraw/zinc/04/18/40/613041840.db2.gz	PSNPCJGXPJFOFS-SNVBAGLBSA-N	-1	0	274.276	0.871	20	30		CCEDRM
C#CC[C@@H](NC(=O)c1cnn(C(C)(C)C)c1)C(=O)[O-]	ZINC000910052742	613042235	/nfs/dbraw/zinc/04/22/35/613042235.db2.gz	HSLQYQJLGPKTPJ-SNVBAGLBSA-N	-1	0	263.297	0.844	20	30		CCEDRM
C#CC[C@@H](OC(=O)[C@H]1CN(C(=O)[O-])CCO1)C(C)C	ZINC000823440897	613043255	/nfs/dbraw/zinc/04/32/55/613043255.db2.gz	MEBZGMCOZOTBBQ-GHMZBOCLSA-N	-1	0	269.297	0.956	20	30		CCEDRM
C#CCCNC(=O)C(=O)Nc1ccc(C(=O)[O-])c(F)c1	ZINC000825608869	613046864	/nfs/dbraw/zinc/04/68/64/613046864.db2.gz	MURZBBWJOVBLBY-UHFFFAOYSA-N	-1	0	278.239	0.602	20	30		CCEDRM
C#CCCNC(=O)C[C@H]1CSCCN1C(=O)[O-]	ZINC000823445407	613046888	/nfs/dbraw/zinc/04/68/88/613046888.db2.gz	ZTHZZVRGZBWLPZ-VIFPVBQESA-N	-1	0	256.327	0.611	20	30		CCEDRM
C#CCCS(=O)(=O)[N-]C(=O)Cc1cc(F)ccc1OC	ZINC000810783581	613052979	/nfs/dbraw/zinc/05/29/79/613052979.db2.gz	VYHROJCTOMIICG-UHFFFAOYSA-N	-1	0	299.323	0.846	20	30		CCEDRM
C#CCCS(=O)(=O)[N-]C(=O)C[C@H](C)n1ccnc1	ZINC000845545936	613053045	/nfs/dbraw/zinc/05/30/45/613053045.db2.gz	UADLWYALKCAMTH-JTQLQIEISA-N	-1	0	269.326	0.304	20	30		CCEDRM
C#CCCS(=O)(=O)[N-]C(=O)[C@H]1CCC(=O)C[C@H]1C	ZINC000798202496	613053456	/nfs/dbraw/zinc/05/34/56/613053456.db2.gz	GXAAYEJNYRORPQ-KOLCDFICSA-N	-1	0	271.338	0.461	20	30		CCEDRM
C#CCCS(=O)(=O)[N-]C(=O)c1cc(C#N)oc1C	ZINC000810783444	613053458	/nfs/dbraw/zinc/05/34/58/613053458.db2.gz	PPMMTOMPGRDMFJ-UHFFFAOYSA-N	-1	0	266.278	0.543	20	30		CCEDRM
C#CCCS(=O)(=O)[N-]C(=O)c1ccc(F)cc1	ZINC000791111661	613053517	/nfs/dbraw/zinc/05/35/17/613053517.db2.gz	WDLNTNILXRWCBD-UHFFFAOYSA-N	-1	0	255.270	0.909	20	30		CCEDRM
C#CCCS(=O)(=O)[N-]C(=O)c1ccc(N)c([N+](=O)[O-])c1	ZINC000810785413	613053557	/nfs/dbraw/zinc/05/35/57/613053557.db2.gz	GXEFJLXZRCUQIT-UHFFFAOYSA-N	-1	0	297.292	0.260	20	30		CCEDRM
C#CCCS(=O)(=O)[N-]C(=O)c1cnc(C)nc1C	ZINC000810779432	613053718	/nfs/dbraw/zinc/05/37/18/613053718.db2.gz	MKXBLYADCWNEAH-UHFFFAOYSA-N	-1	0	267.310	0.176	20	30		CCEDRM
C#CCCS(=O)(=O)[N-]C(=O)c1n[nH]c2c1CCCCC2	ZINC000798202713	613053886	/nfs/dbraw/zinc/05/38/86/613053886.db2.gz	KTNOHFGBEDCXLC-UHFFFAOYSA-N	-1	0	295.364	0.762	20	30		CCEDRM
C#CC[C@H](NC(=O)C(C)(C)c1ccccn1)C(=O)[O-]	ZINC000910050061	613067413	/nfs/dbraw/zinc/06/74/13/613067413.db2.gz	DOLKQFBDKAFPOV-JTQLQIEISA-N	-1	0	260.293	0.952	20	30		CCEDRM
C#CC[C@H](NC(=O)CCc1nc(C)cs1)C(=O)[O-]	ZINC000910050023	613067932	/nfs/dbraw/zinc/06/79/32/613067932.db2.gz	BYRCHQKZFPZEOV-VIFPVBQESA-N	-1	0	266.322	0.977	20	30		CCEDRM
C#CC[C@H](NC(=O)[C@@H]1CCCN1C(=O)NC(C)C)C(=O)[O-]	ZINC000910046047	613068664	/nfs/dbraw/zinc/06/86/64/613068664.db2.gz	KLSGBZNDMAKWAE-QWRGUYRKSA-N	-1	0	295.339	0.162	20	30		CCEDRM
C#CC[C@H](NC(=O)[C@@H]1CCc2nccn2C1)C(=O)[O-]	ZINC000910048043	613068998	/nfs/dbraw/zinc/06/89/98/613068998.db2.gz	CBOSAQXZOYOLIO-ZJUUUORDSA-N	-1	0	261.281	0.038	20	30		CCEDRM
C#CC[C@H](NC(=O)[C@H]1CCCC[C@H]1OC)C(=O)[O-]	ZINC000910050685	613069434	/nfs/dbraw/zinc/06/94/34/613069434.db2.gz	NPDVXJVDIIXZHJ-GARJFASQSA-N	-1	0	253.298	0.784	20	30		CCEDRM
C#CC[C@H](OC(=O)[C@@H]1CN(C(=O)[O-])CCO1)C(C)C	ZINC000823440899	613071493	/nfs/dbraw/zinc/07/14/93/613071493.db2.gz	MEBZGMCOZOTBBQ-QWRGUYRKSA-N	-1	0	269.297	0.956	20	30		CCEDRM
C#C[C@@H](C)NC(=O)[C@H]1CC(C(=O)[O-])=NN1c1ccccc1	ZINC000911393428	613082046	/nfs/dbraw/zinc/08/20/46/613082046.db2.gz	SYLFUZNMWGQNJN-ZWNOBZJWSA-N	-1	0	285.303	0.844	20	30		CCEDRM
C#C[C@@H](NC(=O)C1(C(=O)[O-])CCOCC1)[C@@H]1CCCO1	ZINC000911577158	613091646	/nfs/dbraw/zinc/09/16/46/613091646.db2.gz	BDDGVRPHXXBAKB-MNOVXSKESA-N	-1	0	281.308	0.165	20	30		CCEDRM
C#C[C@@H](NC(=O)CCSCC(=O)[O-])C1CCOCC1	ZINC000911792133	613092022	/nfs/dbraw/zinc/09/20/22/613092022.db2.gz	QRWQRCFYODOCIY-LLVKDONJSA-N	-1	0	285.365	0.739	20	30		CCEDRM
C#CCN(CC#CC)C(=O)C[C@@]1(C(=O)[O-])CCOC1	ZINC000872935488	613099556	/nfs/dbraw/zinc/09/95/56/613099556.db2.gz	PPVBNWZTOVLCAM-AWEZNQCLSA-N	-1	0	263.293	0.353	20	30		CCEDRM
C#CCN(CC(=O)[O-])S(=O)(=O)CCc1ccccc1F	ZINC000849219730	613103563	/nfs/dbraw/zinc/10/35/63/613103563.db2.gz	VSNQEOPYQQIADL-UHFFFAOYSA-N	-1	0	299.323	0.718	20	30		CCEDRM
C#CCN(CC(=O)[O-])S(=O)(=O)c1cnccc1C	ZINC000849219690	613103802	/nfs/dbraw/zinc/10/38/02/613103802.db2.gz	UJKQLHJROZNLLM-UHFFFAOYSA-N	-1	0	268.294	0.099	20	30		CCEDRM
C#C[C@H](C)N(C)S(=O)(=O)c1ccc(CC(=O)[O-])cc1	ZINC000926537041	613114457	/nfs/dbraw/zinc/11/44/57/613114457.db2.gz	JDLVRXOHGOTXSN-JTQLQIEISA-N	-1	0	281.333	0.956	20	30		CCEDRM
C#C[C@H](NC(=O)C1(C(=O)[O-])CC1)C1CCOCC1	ZINC000911789754	613132398	/nfs/dbraw/zinc/13/23/98/613132398.db2.gz	HSNQCUIDKINKKT-JTQLQIEISA-N	-1	0	251.282	0.396	20	30		CCEDRM
C#C[C@H](NC(=O)[C@H]1CC[C@@H](C(=O)[O-])C1)[C@H]1CCCO1	ZINC000911581743	613147639	/nfs/dbraw/zinc/14/76/39/613147639.db2.gz	ZPUFWNOFEIPIAC-WHOHXGKFSA-N	-1	0	265.309	0.784	20	30		CCEDRM
C#C[C@H]1COCCN1C(=O)NCC1(C(=O)[O-])CCC1	ZINC000851654111	613160631	/nfs/dbraw/zinc/16/06/31/613160631.db2.gz	PLDJBSFJCMGNOH-JTQLQIEISA-N	-1	0	266.297	0.285	20	30		CCEDRM
C#Cc1ccc(C(=O)N(C)[C@H](COCC)C(=O)[O-])cn1	ZINC000825636477	613165967	/nfs/dbraw/zinc/16/59/67/613165967.db2.gz	LGJOLZTXMHQIKG-GFCCVEGCSA-N	-1	0	276.292	0.625	20	30		CCEDRM
C#Cc1ccc(C(=O)N2CCO[C@@H](c3nnn[n-]3)C2)cc1	ZINC000900626510	613171175	/nfs/dbraw/zinc/17/11/75/613171175.db2.gz	SCKZRAPCXPJWRL-GFCCVEGCSA-N	-1	0	283.291	0.395	20	30		CCEDRM
C#Cc1ccc(C(=O)N[C@@H](CC(F)F)C(=O)[O-])cn1	ZINC000833368362	613183124	/nfs/dbraw/zinc/18/31/24/613183124.db2.gz	NLMPBPIAIPCZGU-VIFPVBQESA-N	-1	0	268.219	0.901	20	30		CCEDRM
C#CCN1CCC[C@H]1C(=O)NCc1cc(C(=O)[O-])co1	ZINC000910311325	613199762	/nfs/dbraw/zinc/19/97/62/613199762.db2.gz	VRWNXNSDIBQWBG-LBPRGKRZSA-N	-1	0	276.292	0.692	20	30		CCEDRM
C#Cc1cccc(NC(=O)COC2CN(C(=O)[O-])C2)c1	ZINC000823475567	613204308	/nfs/dbraw/zinc/20/43/08/613204308.db2.gz	ZPGNTNNDRYEECP-UHFFFAOYSA-N	-1	0	274.276	0.985	20	30		CCEDRM
C#CCN1CCN(C(=O)C23CCC(C(=O)[O-])(CC2)C3)CC1	ZINC000911150402	613204485	/nfs/dbraw/zinc/20/44/85/613204485.db2.gz	KOZOJHJXKZKMFO-UHFFFAOYSA-N	-1	0	290.363	0.799	20	30		CCEDRM
C#Cc1ccccc1CC(=O)[N-]S(=O)(=O)CCOCC	ZINC000810578434	613207065	/nfs/dbraw/zinc/20/70/65/613207065.db2.gz	FMPZHXCOXMQGJH-UHFFFAOYSA-N	-1	0	295.360	0.693	20	30		CCEDRM
C#Cc1cncc(C(=O)N2C[C@H](OC)C[C@@]2(C)C(=O)[O-])c1	ZINC000910261625	613215860	/nfs/dbraw/zinc/21/58/60/613215860.db2.gz	DVVXMBCMFPXIMX-DOMZBBRYSA-N	-1	0	288.303	0.767	20	30		CCEDRM
C#Cc1cncc(C(=O)NCC2(C(=O)[O-])CCOCC2)c1	ZINC000909520617	613216056	/nfs/dbraw/zinc/21/60/56/613216056.db2.gz	BYYOGYCNTREHTR-UHFFFAOYSA-N	-1	0	288.303	0.674	20	30		CCEDRM
C#Cc1cncc(C(=O)N[C@]2(C(=O)[O-])CCOC2)c1	ZINC000909378753	613222806	/nfs/dbraw/zinc/22/28/06/613222806.db2.gz	NDMFLMRANGSFMQ-CYBMUJFWSA-N	-1	0	260.249	0.036	20	30		CCEDRM
C=C(C)CCN1c2c(cnn2C)C([O-])=CS1(=O)=O	ZINC000902834345	613281579	/nfs/dbraw/zinc/28/15/79/613281579.db2.gz	RQQYECWGCFUTAL-UHFFFAOYSA-N	-1	0	269.326	0.719	20	30		CCEDRM
C#CCNC(=O)CN1CCC[C@@H](C)[C@@H]1CNC(=O)[O-]	ZINC000823456548	613328515	/nfs/dbraw/zinc/32/85/15/613328515.db2.gz	NOXIPFYMFUEFJI-MNOVXSKESA-N	-1	0	267.329	0.104	20	30		CCEDRM
C=C(C)CO[N-]C(=O)C(C)(C)NC(=O)C(C)(C)NC(C)=O	ZINC000862132514	613352395	/nfs/dbraw/zinc/35/23/95/613352395.db2.gz	HVASTBUFRYYGKN-UHFFFAOYSA-N	-1	0	299.371	0.420	20	30		CCEDRM
C=C(C)CO[N-]C(=O)C(=O)Nc1ccc(OC)nc1OC	ZINC000846149473	613352414	/nfs/dbraw/zinc/35/24/14/613352414.db2.gz	NKNDRYIDXKTVFW-UHFFFAOYSA-N	-1	0	295.295	0.661	20	30		CCEDRM
C=C(C)CO[N-]C(=O)Cn1ccc(C(=O)OC)n1	ZINC000880548631	613352661	/nfs/dbraw/zinc/35/26/61/613352661.db2.gz	ZZLOPVORZIXUBX-UHFFFAOYSA-N	-1	0	253.258	0.294	20	30		CCEDRM
C=C(C)CS(=O)(=O)N[C@]1(CC(=O)[O-])CCCOC1	ZINC000830098403	613354347	/nfs/dbraw/zinc/35/43/47/613354347.db2.gz	QORXHDHYHWOPCF-NSHDSACASA-N	-1	0	277.342	0.506	20	30		CCEDRM
C=C(C)C[C@@H](NC(=O)NCc1ccn(C)n1)C(=O)[O-]	ZINC000908963337	613355804	/nfs/dbraw/zinc/35/58/04/613355804.db2.gz	WASWLYPAVDHEKU-SNVBAGLBSA-N	-1	0	266.301	0.639	20	30		CCEDRM
C=C(C)C[C@@H](NC(=O)Cc1cnn(CC)c1)C(=O)[O-]	ZINC000910291769	613355834	/nfs/dbraw/zinc/35/58/34/613355834.db2.gz	AVONQQQUJORYFI-LLVKDONJSA-N	-1	0	265.313	0.981	20	30		CCEDRM
C=C(C)C[C@H](NC(=O)Cc1cn(C)nc1C)C(=O)[O-]	ZINC000910292593	613358715	/nfs/dbraw/zinc/35/87/15/613358715.db2.gz	ROERVGJAXABEDJ-NSHDSACASA-N	-1	0	265.313	0.807	20	30		CCEDRM
C=C(C)C[C@H](NC(=O)NOC[C@@H]1CCOC1)C(=O)[O-]	ZINC000909250201	613358781	/nfs/dbraw/zinc/35/87/81/613358781.db2.gz	ATHUNHQUYYXYIR-ZJUUUORDSA-N	-1	0	272.301	0.673	20	30		CCEDRM
C=C(C)C[C@H](NC(=O)[C@@H](O)c1cccnc1)C(=O)[O-]	ZINC000910286685	613358842	/nfs/dbraw/zinc/35/88/42/613358842.db2.gz	KSVLUDTVKFQKJB-QWRGUYRKSA-N	-1	0	264.281	0.651	20	30		CCEDRM
C=C(C)C[C@H](NC(=O)c1coc(CO)c1)C(=O)[O-]	ZINC000910291178	613359165	/nfs/dbraw/zinc/35/91/65/613359165.db2.gz	FZNDWNASTONHCZ-JTQLQIEISA-N	-1	0	253.254	0.921	20	30		CCEDRM
C=C(C)C[C@H](NS(=O)(=O)c1cncc(F)c1)C(=O)[O-]	ZINC000864452803	613359960	/nfs/dbraw/zinc/35/99/60/613359960.db2.gz	SXUIYHZUAYORCN-JTQLQIEISA-N	-1	0	288.300	0.918	20	30		CCEDRM
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CCC[C@H](c2nnn[n-]2)C1	ZINC000907102821	613361003	/nfs/dbraw/zinc/36/10/03/613361003.db2.gz	AGUYRSBAQBLECO-SRVKXCTJSA-N	-1	0	291.355	0.887	20	30		CCEDRM
C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)N[C@@H](COC)C(=O)[O-]	ZINC000905538224	613361908	/nfs/dbraw/zinc/36/19/08/613361908.db2.gz	OTNNBIDWRGEVKM-VWYCJHECSA-N	-1	0	286.328	0.366	20	30		CCEDRM
C=C(C)[C@H](CC(=O)N[C@]1(C(=O)[O-])CCOC1)OCC	ZINC000833368031	613362288	/nfs/dbraw/zinc/36/22/88/613362288.db2.gz	ZKJRLBOEZAYNFK-GXFFZTMASA-N	-1	0	271.313	0.718	20	30		CCEDRM
C=C(Cl)CNC(=O)CN1CCC(NC(=O)[O-])CC1	ZINC000823486524	613383480	/nfs/dbraw/zinc/38/34/80/613383480.db2.gz	YMLYMZGRZOHNKD-UHFFFAOYSA-N	-1	0	275.736	0.587	20	30		CCEDRM
C=C(Cl)C[C@@H](NC(=O)NC[C@@H](C)OC)C(=O)[O-]	ZINC000864529304	613388633	/nfs/dbraw/zinc/38/86/33/613388633.db2.gz	GXQLLLQBUVVZKQ-HTQZYQBOSA-N	-1	0	264.709	0.916	20	30		CCEDRM
C=C(Cl)C[C@@H](NC(=O)c1ccc(=O)n(CC)n1)C(=O)[O-]	ZINC000864184989	613388699	/nfs/dbraw/zinc/38/86/99/613388699.db2.gz	ZNMXXSNWIHHDND-SECBINFHSA-N	-1	0	299.714	0.589	20	30		CCEDRM
C=C(Cl)C[C@H](NC(=O)Cc1cn(CC)nn1)C(=O)[O-]	ZINC000907745164	613390641	/nfs/dbraw/zinc/39/06/41/613390641.db2.gz	XZTBTYGJMBZJJW-VIFPVBQESA-N	-1	0	286.719	0.553	20	30		CCEDRM
C=C(Cl)C[C@H](NC(=O)Cc1ccn(C)n1)C(=O)[O-]	ZINC000910271072	613390724	/nfs/dbraw/zinc/39/07/24/613390724.db2.gz	MPCQDMGVDDUICE-VIFPVBQESA-N	-1	0	271.704	0.675	20	30		CCEDRM
C=C(Cl)C[C@H](NC(=O)c1cccn(C)c1=O)C(=O)[O-]	ZINC000864186086	613390772	/nfs/dbraw/zinc/39/07/72/613390772.db2.gz	IQHTVXKGFIJSLG-VIFPVBQESA-N	-1	0	284.699	0.711	20	30		CCEDRM
C=C(Cl)C[C@H](NS(=O)(=O)CCOC)C(=O)[O-]	ZINC000863420781	613390832	/nfs/dbraw/zinc/39/08/32/613390832.db2.gz	RPVNYQYJDWIOME-ZETCQYMHSA-N	-1	0	271.722	0.148	20	30		CCEDRM
C=C(Cl)C[C@H](NS(=O)(=O)N1CCC[C@H]1C)C(=O)[O-]	ZINC000863421466	613390937	/nfs/dbraw/zinc/39/09/37/613390937.db2.gz	YJKIJAMOUDVFHI-BDAKNGLRSA-N	-1	0	296.776	0.901	20	30		CCEDRM
C=CCS(=O)(=O)[N-]C(=O)c1cnn2c1C[C@H](C)CC2	ZINC000842747529	613394857	/nfs/dbraw/zinc/39/48/57/613394857.db2.gz	KCMBKQNEPWRILP-SECBINFHSA-N	-1	0	283.353	0.711	20	30		CCEDRM
C=CC[C@H](C)NC(=O)c1cccn(CC(=O)[O-])c1=O	ZINC000901726028	613413790	/nfs/dbraw/zinc/41/37/90/613413790.db2.gz	YNGWUDGRHNHCOG-VIFPVBQESA-N	-1	0	264.281	0.627	20	30		CCEDRM
C=C1CCN(C(=O)[C@@H]2C[C@@H](O)CN2C(=O)[O-])CC1	ZINC000823486338	613415017	/nfs/dbraw/zinc/41/50/17/613415017.db2.gz	VMARSIGHCSGCEP-ZJUUUORDSA-N	-1	0	254.286	0.278	20	30		CCEDRM
C=CC[C@H](CO)CNC(=O)[C@H](CC(C)C)NC(=O)[O-]	ZINC000833369905	613415461	/nfs/dbraw/zinc/41/54/61/613415461.db2.gz	HEDGOYKMGABVRZ-QWRGUYRKSA-N	-1	0	272.345	0.970	20	30		CCEDRM
C=CC[C@H]1CCN(C(=O)C(=O)N2CC[C@@](C)(C(=O)[O-])C2)C1	ZINC000863745641	613421748	/nfs/dbraw/zinc/42/17/48/613421748.db2.gz	AZXYGWIMWGZPFT-XHDPSFHLSA-N	-1	0	294.351	0.734	20	30		CCEDRM
C=CCn1cc(C(=O)N2CC(C)(C(=O)[O-])C2)nn1	ZINC000910060730	613425601	/nfs/dbraw/zinc/42/56/01/613425601.db2.gz	ZIPJGQHEBJKNPG-UHFFFAOYSA-N	-1	0	250.258	0.011	20	30		CCEDRM
C=CCn1cc(C(=O)N2CC[C@H](C(=O)[O-])[C@@H](C)C2)nn1	ZINC000844155070	613427069	/nfs/dbraw/zinc/42/70/69/613427069.db2.gz	HJUFJUGZMNVSLX-UWVGGRQHSA-N	-1	0	278.312	0.647	20	30		CCEDRM
C=CCn1cc(C(=O)NC[C@H]2[C@@H](C(=O)[O-])C2(F)F)nn1	ZINC000910483070	613429591	/nfs/dbraw/zinc/42/95/91/613429591.db2.gz	MDVVFHKYBRHTGN-XPUUQOCRSA-N	-1	0	286.238	0.160	20	30		CCEDRM
C=CCn1cc(C(=O)N[C@](C)(CC)CC(=O)[O-])nn1	ZINC000844154554	613431657	/nfs/dbraw/zinc/43/16/57/613431657.db2.gz	CAIFNCZUJYCEDI-GFCCVEGCSA-N	-1	0	266.301	0.837	20	30		CCEDRM
C=CC(C)(C)C(=O)N1CCN(Cc2n[nH]c(=O)[n-]2)CC1	ZINC000949666724	613433860	/nfs/dbraw/zinc/43/38/60/613433860.db2.gz	ALUHASYWJNPCGS-UHFFFAOYSA-N	-1	0	279.344	0.367	20	30		CCEDRM
C=CCn1nnn(CN(C)[C@@H](C)C(=O)[O-])c1=S	ZINC000817690050	613439350	/nfs/dbraw/zinc/43/93/50/613439350.db2.gz	LJFDOGRLKXMKEA-ZETCQYMHSA-N	-1	0	257.319	0.357	20	30		CCEDRM
C=C[C@@H](C)O[N-]C(=O)C(=O)Nc1cc(C)nn1C	ZINC000846156126	613443131	/nfs/dbraw/zinc/44/31/31/613443131.db2.gz	YAHDLFDKSZQVFN-MRVPVSSYSA-N	-1	0	252.274	0.289	20	30		CCEDRM
C=C[C@@H](C)O[N-]C(=O)CN(C)S(=O)(=O)c1ccccc1	ZINC000846549040	613443692	/nfs/dbraw/zinc/44/36/92/613443692.db2.gz	IQUXSHZSSFLDRO-LLVKDONJSA-N	-1	0	298.364	0.929	20	30		CCEDRM
C=CC(C)(C)CC(=O)N1CCOC[C@H]1c1nnn[n-]1	ZINC000913493636	613445090	/nfs/dbraw/zinc/44/50/90/613445090.db2.gz	DVZWILHESZYCMS-VIFPVBQESA-N	-1	0	265.317	0.702	20	30		CCEDRM
C=C[C@@H](C)O[N-]C(=O)[C@@H](C)Sc1nncn1C	ZINC000846551382	613447141	/nfs/dbraw/zinc/44/71/41/613447141.db2.gz	UOCHNMVAAXLSDL-HTQZYQBOSA-N	-1	0	256.331	0.918	20	30		CCEDRM
C=CC(C)(C)CCNC(=O)Cn1[n-]cc2c(=O)ncnc1-2	ZINC000862397315	613447548	/nfs/dbraw/zinc/44/75/48/613447548.db2.gz	NUUGYQVUWPHLII-UHFFFAOYSA-N	-1	0	289.339	0.790	20	30		CCEDRM
C=C[C@@H](CC)CC(=O)N1CCC(O)(c2nnn[n-]2)CC1	ZINC000935785494	613447935	/nfs/dbraw/zinc/44/79/35/613447935.db2.gz	SLAYDCWFVLVLTO-JTQLQIEISA-N	-1	0	279.344	0.612	20	30		CCEDRM
C=C[C@@H](CCC(=O)[O-])NS(=O)(=O)CC[C@@H]1CCOC1	ZINC000871741568	613448945	/nfs/dbraw/zinc/44/89/45/613448945.db2.gz	BLMAOZTVLLEENQ-QWRGUYRKSA-N	-1	0	291.369	0.752	20	30		CCEDRM
C=C[C@@H](O)C(=O)N(C)[C@@H](C(=O)[O-])c1cccc(OC)c1	ZINC000910775710	613449430	/nfs/dbraw/zinc/44/94/30/613449430.db2.gz	WROKEWOPDZOWIQ-VXGBXAGGSA-N	-1	0	279.292	0.826	20	30		CCEDRM
C=CC1(S(=O)(=O)[N-]C(=O)CCOCC(F)F)CC1	ZINC000870836548	613450354	/nfs/dbraw/zinc/45/03/54/613450354.db2.gz	FAUDZBGRRHEUKW-UHFFFAOYSA-N	-1	0	283.296	0.823	20	30		CCEDRM
C=CC1(S(=O)(=O)[N-]C(=O)CCc2cnn(C)c2)CC1	ZINC000870833870	613450396	/nfs/dbraw/zinc/45/03/96/613450396.db2.gz	ZMUKFDSMMJSEGM-UHFFFAOYSA-N	-1	0	283.353	0.517	20	30		CCEDRM
C=CC1(S(=O)(=O)[N-]C(=O)CC2(COC)CC2)CC1	ZINC000870838856	613450436	/nfs/dbraw/zinc/45/04/36/613450436.db2.gz	OVYRRDDYTBOBKW-UHFFFAOYSA-N	-1	0	273.354	0.968	20	30		CCEDRM
C=CC1(S(=O)(=O)[N-]C(=O)Cc2ccc(N)cc2)CC1	ZINC000901061336	613450877	/nfs/dbraw/zinc/45/08/77/613450877.db2.gz	BGVYXBOPNWSHKS-UHFFFAOYSA-N	-1	0	280.349	0.976	20	30		CCEDRM
C=CC1(S(=O)(=O)[N-]C(=O)[C@H]2CC[C@H]2C(=O)OC)CC1	ZINC000873553549	613451886	/nfs/dbraw/zinc/45/18/86/613451886.db2.gz	WBNOPEMWODGEOS-DTWKUNHWSA-N	-1	0	287.337	0.350	20	30		CCEDRM
C=CC1(S(=O)(=O)[N-]C(=O)[C@H]2C[C@H]2OCC)CC1	ZINC000870832922	613451960	/nfs/dbraw/zinc/45/19/60/613451960.db2.gz	HXBRUAHNUZXXHH-DTWKUNHWSA-N	-1	0	259.327	0.576	20	30		CCEDRM
C=CC1(S(=O)(=O)[N-]C(=O)c2ocnc2C)CC1	ZINC000870835261	613452270	/nfs/dbraw/zinc/45/22/70/613452270.db2.gz	IVGLJEBBWQKTOB-UHFFFAOYSA-N	-1	0	256.283	0.761	20	30		CCEDRM
C=CC1(S(=O)(=O)[N-]C(=O)c2cnnn2CC)CC1	ZINC000870838023	613452303	/nfs/dbraw/zinc/45/23/03/613452303.db2.gz	IMHUQVOINUYLPW-UHFFFAOYSA-N	-1	0	270.314	0.076	20	30		CCEDRM
C=C[C@@H](O)C(=O)N[C@@H](CC(=O)[O-])c1cccc(OC)c1	ZINC000908852879	613452320	/nfs/dbraw/zinc/45/23/20/613452320.db2.gz	DHMFRIYPLUWSKG-NWDGAFQWSA-N	-1	0	279.292	0.874	20	30		CCEDRM
C=CCC(F)(F)C(=O)[N-]S(=O)(=O)c1c(C)cnn1C	ZINC000816095259	613455090	/nfs/dbraw/zinc/45/50/90/613455090.db2.gz	WKIOJYVHBQTZBN-UHFFFAOYSA-N	-1	0	293.295	0.745	20	30		CCEDRM
C=CCC1(C(=O)[O-])CN(S(=O)(=O)[C@@H]2CCO[C@@H]2C)C1	ZINC000906006893	613457083	/nfs/dbraw/zinc/45/70/83/613457083.db2.gz	LWUSURAGRDUSNM-NXEZZACHSA-N	-1	0	289.353	0.456	20	30		CCEDRM
C=CCC1(S(=O)(=O)[N-]C(=O)C[C@H](C)OC)CC1	ZINC000810988928	613460540	/nfs/dbraw/zinc/46/05/40/613460540.db2.gz	SUVDNSSMMGZAIC-VIFPVBQESA-N	-1	0	261.343	0.966	20	30		CCEDRM
C=CCC1(S(=O)(=O)[N-]C(=O)[C@H]2[C@@H]3COC[C@@H]32)CC1	ZINC000851031214	613461248	/nfs/dbraw/zinc/46/12/48/613461248.db2.gz	AJQIEKLSPJBQPT-MYJAWHEDSA-N	-1	0	271.338	0.434	20	30		CCEDRM
C=CCC1(S(=O)(=O)[N-]C(=O)c2cnn(C)c2C)CC1	ZINC000810979860	613461391	/nfs/dbraw/zinc/46/13/91/613461391.db2.gz	KVHUNDXXJXAMFP-UHFFFAOYSA-N	-1	0	283.353	0.897	20	30		CCEDRM
C=CCC1(S(=O)(=O)[N-]C(=O)[C@@H]2C[C@@H]2OCC)CC1	ZINC000810986457	613461411	/nfs/dbraw/zinc/46/14/11/613461411.db2.gz	AGKATFIZNUDXLQ-ZJUUUORDSA-N	-1	0	273.354	0.966	20	30		CCEDRM
C=CCCCC(=O)NCCN1CCN(C(=O)[O-])CC1	ZINC000823496901	613464900	/nfs/dbraw/zinc/46/49/00/613464900.db2.gz	SDWHNSVUQPNLOI-UHFFFAOYSA-N	-1	0	269.345	0.755	20	30		CCEDRM
C=CCCC[C@@H](NC(=O)[C@@H](C)C(=O)[O-])C(=O)OC	ZINC000902835903	613470447	/nfs/dbraw/zinc/47/04/47/613470447.db2.gz	RMAKZMDPNIPEDL-RKDXNWHRSA-N	-1	0	257.286	0.721	20	30		CCEDRM
C=CCCC[C@@H](NC(=O)NOCCOC)C(=O)[O-]	ZINC000909251710	613470704	/nfs/dbraw/zinc/47/07/04/613470704.db2.gz	LRPJVFHMHRASOG-SECBINFHSA-N	-1	0	260.290	0.673	20	30		CCEDRM
C=CCCC[C@@H](NC(=O)[C@H](COC)OC)C(=O)[O-]	ZINC000910922497	613471012	/nfs/dbraw/zinc/47/10/12/613471012.db2.gz	KJQOCHPKUMNAEL-ZJUUUORDSA-N	-1	0	259.302	0.574	20	30		CCEDRM
C=CCCC[C@@H](NC(=O)c1cn(C)nn1)C(=O)[O-]	ZINC000910922913	613471415	/nfs/dbraw/zinc/47/14/15/613471415.db2.gz	OTWFXDTZFJNWRH-MRVPVSSYSA-N	-1	0	252.274	0.354	20	30		CCEDRM
C=C[C@@](C)(O)C(=O)N[C@@H](CC1(OC)CCC1)C(=O)[O-]	ZINC000909893475	613478845	/nfs/dbraw/zinc/47/88/45/613478845.db2.gz	IQVALQZRTDPKIF-JOYOIKCWSA-N	-1	0	271.313	0.452	20	30		CCEDRM
C=C[C@H](C)NC(=O)N1CCO[C@H]([C@@H](C)NC(=O)[O-])C1	ZINC000823491608	613483091	/nfs/dbraw/zinc/48/30/91/613483091.db2.gz	YKFOVQRRWGXHKM-AEJSXWLSSA-N	-1	0	271.317	0.627	20	30		CCEDRM
C=C[C@H](C)O[N-]C(=O)C(=O)Nc1cnn(CC)c1	ZINC000846155877	613483709	/nfs/dbraw/zinc/48/37/09/613483709.db2.gz	XFZRGWUOQYCSLY-QMMMGPOBSA-N	-1	0	252.274	0.464	20	30		CCEDRM
C=C[C@H](C)O[N-]C(=O)COCc1nc(CC)no1	ZINC000824033713	613484123	/nfs/dbraw/zinc/48/41/23/613484123.db2.gz	SDUYCXCBNUPZQB-QMMMGPOBSA-N	-1	0	255.274	0.771	20	30		CCEDRM
C=C[C@H](C)ONC(=O)N=c1ccnc2n(C)[nH]cc1-2	ZINC000844650239	613486107	/nfs/dbraw/zinc/48/61/07/613486107.db2.gz	IZWLKRAOFOPXKN-QMMMGPOBSA-N	-1	0	261.285	0.969	20	30		CCEDRM
C=C[C@H](C)O[N-]C(=O)[C@H](CO)NC(=O)c1ccc(F)cc1	ZINC000846553870	613488253	/nfs/dbraw/zinc/48/82/53/613488253.db2.gz	BUARSMIYYMZSRR-CABZTGNLSA-N	-1	0	296.298	0.539	20	30		CCEDRM
C=C[C@H](C)O[N-]C(=O)[C@H](CCC)S(N)(=O)=O	ZINC000855026420	613488337	/nfs/dbraw/zinc/48/83/37/613488337.db2.gz	DTAVPVGOBGVURA-YUMQZZPRSA-N	-1	0	250.320	0.066	20	30		CCEDRM
C=C[C@H](O)C(=O)N[C@H](C)[C@H](Cc1ccccc1)C(=O)[O-]	ZINC000909817336	613497670	/nfs/dbraw/zinc/49/76/70/613497670.db2.gz	DERUBUBYYAMKSY-WXHSDQCUSA-N	-1	0	277.320	0.982	20	30		CCEDRM
C=C[C@H]1CCCCN1C(=O)C(=O)NC[C@@H](CC)C(=O)[O-]	ZINC000927958921	613500850	/nfs/dbraw/zinc/50/08/50/613500850.db2.gz	FSFPQGITYJSWBE-MNOVXSKESA-N	-1	0	282.340	0.781	20	30		CCEDRM
C=C[C@](C)(CC)C(=O)N[C@H](C)C(=O)N[C@@H](C)C(=O)[O-]	ZINC000910747736	613505714	/nfs/dbraw/zinc/50/57/14/613505714.db2.gz	RCYZRFPXVBUXNV-VYUIOLGVSA-N	-1	0	270.329	0.683	20	30		CCEDRM
C=C[C@](C)(CCOC)C(=O)[N-]S(=O)(=O)CC#CC	ZINC000810775691	613505952	/nfs/dbraw/zinc/50/59/52/613505952.db2.gz	QEYRQQGYZJOWHH-GFCCVEGCSA-N	-1	0	273.354	0.685	20	30		CCEDRM
CC#CCCCC(=O)[N-]S(=O)(=O)c1cncc(C#N)c1	ZINC000813984016	613520540	/nfs/dbraw/zinc/52/05/40/613520540.db2.gz	MBMLWGNOQRRTRS-UHFFFAOYSA-N	-1	0	291.332	0.952	20	30		CCEDRM
C=CCCOCC(=O)N1CC[C@@](COC)(C(=O)[O-])C1	ZINC000902311835	613571544	/nfs/dbraw/zinc/57/15/44/613571544.db2.gz	SPFMXVMBXRBHOM-CYBMUJFWSA-N	-1	0	271.313	0.529	20	30		CCEDRM
C=CCCOCC(=O)N1CC[C@@H](C(=O)[O-])C[C@H]1C(=O)OC	ZINC000833374156	613571682	/nfs/dbraw/zinc/57/16/82/613571682.db2.gz	SZACEZSOBYXCOH-MNOVXSKESA-N	-1	0	299.323	0.444	20	30		CCEDRM
C=CCCOCCNC(=O)N[C@@]1(C(=O)[O-])CCSC1	ZINC000909117127	613575254	/nfs/dbraw/zinc/57/52/54/613575254.db2.gz	IMJVZJHPHHLLEL-LBPRGKRZSA-N	-1	0	288.369	0.839	20	30		CCEDRM
C=CCCO[N-]C(=O)Cn1c(C)cc(O)cc1=O	ZINC000856032589	613576686	/nfs/dbraw/zinc/57/66/86/613576686.db2.gz	NCWXIULDPYHRTR-UHFFFAOYSA-N	-1	0	252.270	0.486	20	30		CCEDRM
C=CCCO[N-]C(=O)CNC(=O)OCC(F)(F)F	ZINC000856031564	613576724	/nfs/dbraw/zinc/57/67/24/613576724.db2.gz	UWBWPLUHFPXJRJ-UHFFFAOYSA-N	-1	0	270.207	0.899	20	30		CCEDRM
C=CCCS(=O)(=O)N[C@H](C)C1(C(=O)[O-])CCOCC1	ZINC000903540848	613581688	/nfs/dbraw/zinc/58/16/88/613581688.db2.gz	LMKQFLJOJYJERB-SNVBAGLBSA-N	-1	0	291.369	0.752	20	30		CCEDRM
C=CCCS(=O)(=O)NC[C@@H]1CCCN1C(=O)[O-]	ZINC000823501424	613581750	/nfs/dbraw/zinc/58/17/50/613581750.db2.gz	XDNOBKMMEMHOOB-VIFPVBQESA-N	-1	0	262.331	0.624	20	30		CCEDRM
C=CCCS(=O)(=O)N[C@H]1CCCN(C(=O)[O-])C1	ZINC000823501017	613582190	/nfs/dbraw/zinc/58/21/90/613582190.db2.gz	PLFRHIJLFMMVBC-VIFPVBQESA-N	-1	0	262.331	0.624	20	30		CCEDRM
C=CCC[C@@H](NC(=O)Cc1cc(C)[nH]n1)C(=O)[O-]	ZINC000909713421	613584400	/nfs/dbraw/zinc/58/44/00/613584400.db2.gz	PSPOMKVUBJGWPY-SNVBAGLBSA-N	-1	0	251.286	0.796	20	30		CCEDRM
C=CCC[C@H](NC(=O)COC1CCOCC1)C(=O)[O-]	ZINC000909712680	613589427	/nfs/dbraw/zinc/58/94/27/613589427.db2.gz	KYYRYSYHHCSOPI-NSHDSACASA-N	-1	0	271.313	0.718	20	30		CCEDRM
C=CCC[C@H](NC(=O)[C@H](OC)c1cnn(C)c1)C(=O)[O-]	ZINC000909715312	613589906	/nfs/dbraw/zinc/58/99/06/613589906.db2.gz	LNERIVSWGVMMDR-WDEREUQCSA-N	-1	0	281.312	0.643	20	30		CCEDRM
C=CCC[C@H](NC(=O)c1cn(C)nc1COC)C(=O)[O-]	ZINC000909716525	613590623	/nfs/dbraw/zinc/59/06/23/613590623.db2.gz	SQKAHECPSQUGCB-JTQLQIEISA-N	-1	0	281.312	0.716	20	30		CCEDRM
C=CCCn1cc(C(=O)NCCc2n[n-]c(=S)o2)nn1	ZINC000819500419	613594411	/nfs/dbraw/zinc/59/44/11/613594411.db2.gz	VPZLIKYBUCDNAU-UHFFFAOYSA-N	-1	0	294.340	0.498	20	30		CCEDRM
C=CCCn1cc(C(=O)N[C@H]2C[C@@H](C(=O)[O-])[C@@H]3C[C@@H]32)nn1	ZINC000923197581	613596165	/nfs/dbraw/zinc/59/61/65/613596165.db2.gz	MZPNWLJHIPVRQE-YTWAJWBKSA-N	-1	0	290.323	0.693	20	30		CCEDRM
C=CCN(C(=O)N=c1nn[n-]n1CC)[C@@H](C)COC	ZINC000888323509	613605116	/nfs/dbraw/zinc/60/51/16/613605116.db2.gz	ZFCRLSYCNWWGLI-VIFPVBQESA-N	-1	0	268.321	0.170	20	30		CCEDRM
C=CCN(C(=O)[C@H]1CN(C(=O)[O-])CCO1)C(C)C	ZINC000823501250	613607208	/nfs/dbraw/zinc/60/72/08/613607208.db2.gz	SNNPEVFDOCQAFN-SNVBAGLBSA-N	-1	0	256.302	0.788	20	30		CCEDRM
C=CCN(CC(=O)[O-])C(=O)COCc1ncc(C)o1	ZINC000909515056	613641877	/nfs/dbraw/zinc/64/18/77/613641877.db2.gz	ODCXQSRDZDDXPM-UHFFFAOYSA-N	-1	0	268.269	0.599	20	30		CCEDRM
C=CCN(CC(=O)[O-])C(=O)c1cncc(OCCOC)c1	ZINC000909515059	613643652	/nfs/dbraw/zinc/64/36/52/613643652.db2.gz	OFHKYOKSXJGTKV-UHFFFAOYSA-N	-1	0	294.307	0.820	20	30		CCEDRM
C=CCN(CC(=O)[O-])C(=O)c1cc2n(n1)CCCO2	ZINC000909514366	613643786	/nfs/dbraw/zinc/64/37/86/613643786.db2.gz	FUNHFDIKSDQLMQ-UHFFFAOYSA-N	-1	0	265.269	0.378	20	30		CCEDRM
C=CCN(CC(=O)[O-])C(=O)c1nn(C)cc1[N+](=O)[O-]	ZINC000799244344	613643829	/nfs/dbraw/zinc/64/38/29/613643829.db2.gz	RFSRHHHPTFPPEO-UHFFFAOYSA-N	-1	0	268.229	0.041	20	30		CCEDRM
C=CCN(CC(=O)[O-])S(=O)(=O)c1cnc2n1CCCC2	ZINC000899921570	613644405	/nfs/dbraw/zinc/64/44/05/613644405.db2.gz	LJVSDGUQSFJAFY-UHFFFAOYSA-N	-1	0	299.352	0.481	20	30		CCEDRM
CC#CCOC(=O)c1cn(C2CCN(C(=O)[O-])CC2)nn1	ZINC000823522098	613645601	/nfs/dbraw/zinc/64/56/01/613645601.db2.gz	RMVGIYDETSWKOD-UHFFFAOYSA-N	-1	0	292.295	0.773	20	30		CCEDRM
CC#CCS(=O)(=O)[N-]C(=O)COc1cccc(OC)c1	ZINC000810774128	613645855	/nfs/dbraw/zinc/64/58/55/613645855.db2.gz	DODIJPDLDZUBKQ-UHFFFAOYSA-N	-1	0	297.332	0.543	20	30		CCEDRM
CC#CCS(=O)(=O)[N-]C(=O)CSCC(F)(F)F	ZINC000810775532	613645888	/nfs/dbraw/zinc/64/58/88/613645888.db2.gz	JSKBHZLBHUKAAI-UHFFFAOYSA-N	-1	0	289.300	0.751	20	30		CCEDRM
CC#CCS(=O)(=O)[N-]C(=O)CCCn1ccccc1=O	ZINC000810771310	613645943	/nfs/dbraw/zinc/64/59/43/613645943.db2.gz	ITZGXXQMCDVEGC-UHFFFAOYSA-N	-1	0	296.348	0.098	20	30		CCEDRM
CC#CCS(=O)(=O)[N-]C(=O)[C@@H](C)C(C)(F)F	ZINC000816056128	613646120	/nfs/dbraw/zinc/64/61/20/613646120.db2.gz	GEJARBZNRHURFV-SSDOTTSWSA-N	-1	0	253.270	0.747	20	30		CCEDRM
CC#CCS(=O)(=O)[N-]C(=O)Cc1csc(C)n1	ZINC000791111260	613646156	/nfs/dbraw/zinc/64/61/56/613646156.db2.gz	RLBMEJDMIABIPL-UHFFFAOYSA-N	-1	0	272.351	0.463	20	30		CCEDRM
CC#CCS(=O)(=O)[N-]C(=O)[C@H](OC)C1CCCC1	ZINC000851000659	613647211	/nfs/dbraw/zinc/64/72/11/613647211.db2.gz	XYQJJRMTMYJGOT-LLVKDONJSA-N	-1	0	273.354	0.661	20	30		CCEDRM
CC#CCS(=O)(=O)[N-]C(=O)[C@H]1CCC(F)(F)C1	ZINC000810777589	613647266	/nfs/dbraw/zinc/64/72/66/613647266.db2.gz	JYQZRPHPXVSXLA-QMMMGPOBSA-N	-1	0	265.281	0.891	20	30		CCEDRM
CC#CCS(=O)(=O)[N-]C(=O)c1ccc(OC(C)C)nc1	ZINC000810777857	613647443	/nfs/dbraw/zinc/64/74/43/613647443.db2.gz	JJZGHYWQFMUPQQ-UHFFFAOYSA-N	-1	0	296.348	0.952	20	30		CCEDRM
CC#CCS(=O)(=O)[N-]C(=O)c1cc(C(C)C)nn1C	ZINC000791111608	613647475	/nfs/dbraw/zinc/64/74/75/613647475.db2.gz	UVHYRLVVFQJLAS-UHFFFAOYSA-N	-1	0	283.353	0.626	20	30		CCEDRM
CC#CCS(=O)(=O)[N-]C(=O)c1ccc([N+](=O)[O-])cc1	ZINC000810778819	613647500	/nfs/dbraw/zinc/64/75/00/613647500.db2.gz	NRURUWDFSKUDNP-UHFFFAOYSA-N	-1	0	282.277	0.678	20	30		CCEDRM
CC(=NNS(C)(=O)=O)[C@H]1CCCCN1C(=O)[O-]	ZINC000823532979	613656081	/nfs/dbraw/zinc/65/60/81/613656081.db2.gz	NMYVAJWYLRBGFN-MRVPVSSYSA-N	-1	0	263.319	0.444	20	30		CCEDRM
CC(=O)C1=C(C(=O)[O-])NC(=S)N[C@H]1c1ccc(C#N)o1	ZINC000825813103	613663802	/nfs/dbraw/zinc/66/38/02/613663802.db2.gz	FAAWUXAWVPUOGM-VIFPVBQESA-N	-1	0	291.288	0.598	20	30		CCEDRM
C=CCNC(=O)C(=O)Nc1cccc(CNC(=O)[O-])c1	ZINC000823506278	613845019	/nfs/dbraw/zinc/84/50/19/613845019.db2.gz	FPEDKVLPXMJQJX-UHFFFAOYSA-N	-1	0	277.280	0.695	20	30		CCEDRM
C=CCNC(=O)C(=O)Nc1cccc2c1CCN2C(=O)[O-]	ZINC000823506251	613845104	/nfs/dbraw/zinc/84/51/04/613845104.db2.gz	FBDMDWFCIQBPTI-UHFFFAOYSA-N	-1	0	289.291	0.968	20	30		CCEDRM
C=CCNC(=O)COC(=O)C1(CNC(=O)[O-])CCCC1	ZINC000823506057	613847457	/nfs/dbraw/zinc/84/74/57/613847457.db2.gz	BTXQXPAMQFLTPN-UHFFFAOYSA-N	-1	0	284.312	0.660	20	30		CCEDRM
C=CCNC(=O)[C@H](C)OC(=O)C[C@@H]1CCCN1C(=O)[O-]	ZINC000823506318	613855516	/nfs/dbraw/zinc/85/55/16/613855516.db2.gz	GIKXKNYMSLUDGT-UWVGGRQHSA-N	-1	0	284.312	0.753	20	30		CCEDRM
C=CCNC(=O)[C@H](C)OC(=O)[C@]1(F)CCN(C(=O)[O-])C1	ZINC000823506277	613855793	/nfs/dbraw/zinc/85/57/93/613855793.db2.gz	FNSYXCOCIIHVJO-UFBFGSQYSA-N	-1	0	288.275	0.312	20	30		CCEDRM
C=CCNc1ncc(C(=O)NCC(=O)[N-]OCC)s1	ZINC000846662034	613876725	/nfs/dbraw/zinc/87/67/25/613876725.db2.gz	QBJXMDHLKQXLNG-UHFFFAOYSA-N	-1	0	284.341	0.539	20	30		CCEDRM
C=CCOCC(=O)N[C@H](C[C@H]1CCCO1)C(=O)[O-]	ZINC000910589160	613879481	/nfs/dbraw/zinc/87/94/81/613879481.db2.gz	BRRSTJWVJLPCIH-NXEZZACHSA-N	-1	0	257.286	0.328	20	30		CCEDRM
C=CCOCC(=O)N[C@@]1(CC(=O)[O-])CCCOC1	ZINC000909701019	613879487	/nfs/dbraw/zinc/87/94/87/613879487.db2.gz	VVXPBOIURIMQDY-GFCCVEGCSA-N	-1	0	257.286	0.329	20	30		CCEDRM
C=CCOCC(=O)O[C@H](C)c1cn(CC(=O)[O-])nn1	ZINC000825698301	613879581	/nfs/dbraw/zinc/87/95/81/613879581.db2.gz	CKMBBEMFMDYZJH-MRVPVSSYSA-N	-1	0	269.257	0.170	20	30		CCEDRM
C=CCOCCCNC(=O)[C@@H]1CO[C@@H](CCC(=O)[O-])C1	ZINC000902070446	613880244	/nfs/dbraw/zinc/88/02/44/613880244.db2.gz	VOPDGSKPHPKLLD-RYUDHWBXSA-N	-1	0	285.340	0.965	20	30		CCEDRM
C=CCOCCNC(=O)C(=O)Nc1sccc1C(=O)[O-]	ZINC000833376100	613880707	/nfs/dbraw/zinc/88/07/07/613880707.db2.gz	SWLHSBQPFMHKFT-UHFFFAOYSA-N	-1	0	298.320	0.704	20	30		CCEDRM
C=CCOC[C@@H](NC(=O)N[C@H](C)c1cnn(C)c1)C(=O)[O-]	ZINC000797718569	613881647	/nfs/dbraw/zinc/88/16/47/613881647.db2.gz	DUPYBTKJFKNYPG-MWLCHTKSSA-N	-1	0	296.327	0.436	20	30		CCEDRM
C=CCOC[C@@H](NC(=O)COc1ccsc1)C(=O)[O-]	ZINC000909770933	613881663	/nfs/dbraw/zinc/88/16/63/613881663.db2.gz	JKTPLXQCZPKBKK-SNVBAGLBSA-N	-1	0	285.321	0.899	20	30		CCEDRM
C=CCOC[C@@H](NC(=O)COC(C)(C)CC)C(=O)[O-]	ZINC000909766668	613881716	/nfs/dbraw/zinc/88/17/16/613881716.db2.gz	JYPAFDUDHVGSGB-SNVBAGLBSA-N	-1	0	273.329	0.964	20	30		CCEDRM
C=CCOC[C@@H](NC(=O)COC1(C)CCC1)C(=O)[O-]	ZINC000836752326	613881721	/nfs/dbraw/zinc/88/17/21/613881721.db2.gz	FQSLPXAKRKNDIG-SNVBAGLBSA-N	-1	0	271.313	0.718	20	30		CCEDRM
C=CCOC[C@@H](NC(=O)[C@H]1CCc2nccn2C1)C(=O)[O-]	ZINC000909769938	613881850	/nfs/dbraw/zinc/88/18/50/613881850.db2.gz	CTEZPPBEIXXBEC-WDEREUQCSA-N	-1	0	293.323	0.218	20	30		CCEDRM
C=CCOC[C@@H](NC(=O)[C@H]1CCc2cncn2C1)C(=O)[O-]	ZINC000909769123	613881928	/nfs/dbraw/zinc/88/19/28/613881928.db2.gz	XMPOSJFDBOGZHD-CMPLNLGQSA-N	-1	0	293.323	0.218	20	30		CCEDRM
C=CCOC[C@@H](NC(=O)c1ccsn1)C(=O)[O-]	ZINC000909771762	613881949	/nfs/dbraw/zinc/88/19/49/613881949.db2.gz	PQSHSACKSYUAJP-MRVPVSSYSA-N	-1	0	256.283	0.529	20	30		CCEDRM
C=CCOC[C@H](NC(=O)N[C@@H](C)c1cnn(C)c1)C(=O)[O-]	ZINC000797718570	613882291	/nfs/dbraw/zinc/88/22/91/613882291.db2.gz	DUPYBTKJFKNYPG-ONGXEEELSA-N	-1	0	296.327	0.436	20	30		CCEDRM
C=CCOC[C@H](NC(=O)[C@H]1CCC(C)(C)O1)C(=O)[O-]	ZINC000909765847	613882549	/nfs/dbraw/zinc/88/25/49/613882549.db2.gz	GECAKZDVBOKNMT-VHSXEESVSA-N	-1	0	271.313	0.716	20	30		CCEDRM
C=CCOC[C@H](NC(=O)[C@](C)(CC)OC)C(=O)[O-]	ZINC000909769716	613882674	/nfs/dbraw/zinc/88/26/74/613882674.db2.gz	BJZAXFJBIJDZSS-CABZTGNLSA-N	-1	0	259.302	0.574	20	30		CCEDRM
C=CCOC[C@H](NC(=O)c1cnn(C(C)C)c1)C(=O)[O-]	ZINC000909771774	613882835	/nfs/dbraw/zinc/88/28/35/613882835.db2.gz	PULYOUHEYVVWFJ-NSHDSACASA-N	-1	0	281.312	0.850	20	30		CCEDRM
C=CCO[N-]C(=O)C(=O)Nc1cc(C)nn1CC	ZINC000861880718	613883091	/nfs/dbraw/zinc/88/30/91/613883091.db2.gz	PVHHGLZNBVAFTO-UHFFFAOYSA-N	-1	0	252.274	0.384	20	30		CCEDRM
C=CCO[N-]C(=O)COCCNC(=O)c1ccccc1	ZINC000837049094	613883153	/nfs/dbraw/zinc/88/31/53/613883153.db2.gz	ZBDMTQLGSHZKLM-UHFFFAOYSA-N	-1	0	278.308	0.667	20	30		CCEDRM
C=CCO[N-]C(=O)[C@H]1OCC[C@H]1NC(=O)OC(C)(C)C	ZINC000861925049	613884552	/nfs/dbraw/zinc/88/45/52/613884552.db2.gz	ZJOOMUZBHLUZRE-ZJUUUORDSA-N	-1	0	286.328	0.902	20	30		CCEDRM
C=CCO[N-]C(=O)[C@](C)(O)CN1Cc2ccccc2C1=O	ZINC000837047991	613884588	/nfs/dbraw/zinc/88/45/88/613884588.db2.gz	IJSGBOMGYOQDQM-OAHLLOKOSA-N	-1	0	290.319	0.627	20	30		CCEDRM
C=CCS(=O)(=O)CCNCc1ccc(C(=O)[O-])o1	ZINC000833378023	613885773	/nfs/dbraw/zinc/88/57/73/613885773.db2.gz	GEPFIYMCOWVJEM-UHFFFAOYSA-N	-1	0	273.310	0.668	20	30		CCEDRM
C=CCS(=O)(=O)[N-]C(=O)C1(c2cc(C)no2)CC1	ZINC000892882315	613886112	/nfs/dbraw/zinc/88/61/12/613886112.db2.gz	HRJUDXSYVIZFFU-UHFFFAOYSA-N	-1	0	270.310	0.647	20	30		CCEDRM
C=CCS(=O)(=O)[N-]C(=O)CC1(C#N)CCOCC1	ZINC000850913601	613886163	/nfs/dbraw/zinc/88/61/63/613886163.db2.gz	SHBQQZYDFZAEQQ-UHFFFAOYSA-N	-1	0	272.326	0.329	20	30		CCEDRM
C=CCS(=O)(=O)[N-]C(=O)[C@@H](C)Cn1ccc(C)n1	ZINC000870256577	613886255	/nfs/dbraw/zinc/88/62/55/613886255.db2.gz	JFDKBMNAZOXRRP-VIFPVBQESA-N	-1	0	271.342	0.460	20	30		CCEDRM
CC(C)NC(=O)C(C#N)=C([O-])c1cn(C2CCC2)nn1	ZINC000842690099	613930292	/nfs/dbraw/zinc/93/02/92/613930292.db2.gz	NUKZRANBIRWZHI-JTQLQIEISA-N	-1	0	275.312	0.850	20	30		CCEDRM
CC(C)NC(=O)[C@H](C#N)C(=O)[C@@H]1CC[C@@H](NC(=O)[O-])C1	ZINC000824368532	613933972	/nfs/dbraw/zinc/93/39/72/613933972.db2.gz	LWOTVQGPZPFZFY-OPRDCNLKSA-N	-1	0	281.312	0.656	20	30		CCEDRM
CC(C)(C)N1C[C@H](NC(=O)[C@@](C)(C#N)CC(=O)[O-])CC1=O	ZINC000819821663	613946327	/nfs/dbraw/zinc/94/63/27/613946327.db2.gz	IZSSDMQJSZWBOB-YMTOWFKASA-N	-1	0	295.339	0.507	20	30		CCEDRM
CC(=O)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1C#N	ZINC000816127808	613947273	/nfs/dbraw/zinc/94/72/73/613947273.db2.gz	ISNMITNZDRRWBD-UHFFFAOYSA-N	-1	0	269.238	0.291	20	30		CCEDRM
CC(C)OCCCNC(=O)[C@@](C)(C#N)CC(=O)[O-]	ZINC000820033078	614012739	/nfs/dbraw/zinc/01/27/39/614012739.db2.gz	WQJFDXSCWDWQJT-GFCCVEGCSA-N	-1	0	256.302	0.922	20	30		CCEDRM
CC(C)(C)[C@H](C#N)NC(=O)COC1CN(C(=O)[O-])C1	ZINC000823760578	614032304	/nfs/dbraw/zinc/03/23/04/614032304.db2.gz	SVMPKXGXSMXOIN-VIFPVBQESA-N	-1	0	269.301	0.420	20	30		CCEDRM
CC(C)CCS(=O)(=O)[N-]C(=O)[C@H](C)n1cnc(C#N)n1	ZINC000798828204	614058207	/nfs/dbraw/zinc/05/82/07/614058207.db2.gz	JYBPJUPMMQFMAM-VIFPVBQESA-N	-1	0	299.356	0.203	20	30		CCEDRM
CC(C)(C)n1nnc(C=NNc2[n-]cnc3ncnc2-3)n1	ZINC000853293067	614068959	/nfs/dbraw/zinc/06/89/59/614068959.db2.gz	QOUBKVGRAUPREO-UHFFFAOYSA-N	-1	0	286.303	0.540	20	30		CCEDRM
CC(C)S(=O)(=O)NN=Cc1ccc(-c2nn[nH]n2)o1	ZINC000820183477	614069206	/nfs/dbraw/zinc/06/92/06/614069206.db2.gz	DZTVFUWXEGEUFP-UHFFFAOYSA-N	-1	0	284.301	0.121	20	30		CCEDRM
CC(C)(CNC(=O)[O-])C(=O)NC[C@H]1CCCN(CC#N)C1	ZINC000823957210	614103126	/nfs/dbraw/zinc/10/31/26/614103126.db2.gz	YRJIHYCLWQLIKK-LLVKDONJSA-N	-1	0	296.371	0.632	20	30		CCEDRM
CC(C)(NC(=O)[O-])C(C)(C)C(=O)OCC(=O)NCCC#N	ZINC000824024974	614167726	/nfs/dbraw/zinc/16/77/26/614167726.db2.gz	KPLSKYZIOBJCCQ-UHFFFAOYSA-N	-1	0	299.327	0.632	20	30		CCEDRM
CC(C)=CC(=O)[N-]S(=O)(=O)c1cncc(C#N)c1	ZINC000813980534	614284198	/nfs/dbraw/zinc/28/41/98/614284198.db2.gz	CPDZHRJCHDUJPI-UHFFFAOYSA-N	-1	0	265.294	0.724	20	30		CCEDRM
CC(C)(C#N)CS(=O)(=O)[N-]C(=O)/C=C\[C@@H]1CCCO1	ZINC000820509354	614286738	/nfs/dbraw/zinc/28/67/38/614286738.db2.gz	KAVGOBKEGABJCT-OMMCCPJFSA-N	-1	0	286.353	0.717	20	30		CCEDRM
CC(C)C#CC(=O)N1CCSC[C@H]1c1nnn[n-]1	ZINC000907479846	614326085	/nfs/dbraw/zinc/32/60/85/614326085.db2.gz	JBIIOXHQHCMIBH-VIFPVBQESA-N	-1	0	265.342	0.476	20	30		CCEDRM
CC(C)n1cnc(S(=O)(=O)[N-]C(=O)[C@H](C)CC#N)c1	ZINC000850909979	614367808	/nfs/dbraw/zinc/36/78/08/614367808.db2.gz	ZDTLRPNEQQUCLA-SECBINFHSA-N	-1	0	284.341	0.819	20	30		CCEDRM
CC(C)n1ncnc1CN[C@@H]1CCCN(O)C1=O	ZINC000895158486	614374114	/nfs/dbraw/zinc/37/41/14/614374114.db2.gz	KEPHKCBMQOFEND-SECBINFHSA-N	-1	0	253.306	0.329	20	30		CCEDRM
CC(C[C@@H]1CCCN1C(=O)[O-])=NN1CC(=O)N(C)C1=O	ZINC000833804649	614382155	/nfs/dbraw/zinc/38/21/55/614382155.db2.gz	XEGVNYZWGDUFGY-VIFPVBQESA-N	-1	0	282.300	0.789	20	30		CCEDRM
CCC(C#N)(CC)C(=O)[N-]S(=O)(=O)CCC(=O)OC	ZINC000860758070	614470562	/nfs/dbraw/zinc/47/05/62/614470562.db2.gz	CLSZFPBLQPRRJA-UHFFFAOYSA-N	-1	0	290.341	0.325	20	30		CCEDRM
CCCc1noc(Cn2cnc(-c3nnn[n-]3)c2C#N)n1	ZINC000825352113	614503263	/nfs/dbraw/zinc/50/32/63/614503263.db2.gz	KBXKDJBUGNVIID-UHFFFAOYSA-N	-1	0	285.271	0.319	20	30		CCEDRM
CC1(C)CCCC[C@H]1NN=C1C(=O)[N-]C(=O)NC1=O	ZINC000814227845	614526661	/nfs/dbraw/zinc/52/66/61/614526661.db2.gz	OAPVCJGZIZKQLH-SSDOTTSWSA-N	-1	0	266.301	0.267	20	30		CCEDRM
CCC(=O)N[C@H](C)C(=O)[N-]Oc1cccc(C#N)c1	ZINC000870693228	614975709	/nfs/dbraw/zinc/97/57/09/614975709.db2.gz	ZGQHHOVHSHEYAB-SECBINFHSA-N	-1	0	261.281	0.883	20	30		CCEDRM
CCN(C[C@H](C)C#N)C(=O)CN(CC(=O)[O-])C1CC1	ZINC000829643303	615064442	/nfs/dbraw/zinc/06/44/42/615064442.db2.gz	ZWZBUGUNDJKJSN-SNVBAGLBSA-N	-1	0	267.329	0.544	20	30		CCEDRM
CCOC(=O)c1ccc(C(=O)N[C@H]2CCN(O)C2=O)cc1	ZINC000820136822	615180626	/nfs/dbraw/zinc/18/06/26/615180626.db2.gz	FUYJWBUIKHDVJL-NSHDSACASA-N	-1	0	292.291	0.583	20	30		CCEDRM
CCOCC1(C(=O)[N-]S(=O)(=O)CC(C)(C)C#N)CC1	ZINC000799622440	615234936	/nfs/dbraw/zinc/23/49/36/615234936.db2.gz	LYTIMGSMZFFBJM-UHFFFAOYSA-N	-1	0	288.369	0.799	20	30		CCEDRM
CCOCCO[N-]C(=O)C(=O)NCC1(C#N)CCCCC1	ZINC000830417549	615286446	/nfs/dbraw/zinc/28/64/46/615286446.db2.gz	KWRLQLVBPTWVEA-UHFFFAOYSA-N	-1	0	297.355	0.661	20	30		CCEDRM
CC[C@@H](C#N)NS(=O)(=O)c1cc(C(=O)[O-])oc1C	ZINC000833636198	615366380	/nfs/dbraw/zinc/36/63/80/615366380.db2.gz	LEOJWNLSOQQVKY-ZETCQYMHSA-N	-1	0	272.282	0.867	20	30		CCEDRM
CCO[N-]C(=O)CNS(=O)(=O)Cc1cccc(C#N)c1	ZINC000846001694	615375682	/nfs/dbraw/zinc/37/56/82/615375682.db2.gz	FLKTXCMZMUKNCQ-UHFFFAOYSA-N	-1	0	297.336	0.045	20	30		CCEDRM
CCO[N-]C(=O)CNc1nc2c(cc1C#N)COCC2	ZINC000845718154	615377025	/nfs/dbraw/zinc/37/70/25/615377025.db2.gz	QAMFHQLOWSGCTA-UHFFFAOYSA-N	-1	0	276.296	0.506	20	30		CCEDRM
CCN1C[C@H](C(=O)[N-]Oc2cccc(C#N)c2)CC1=O	ZINC000870693903	615389891	/nfs/dbraw/zinc/38/98/91/615389891.db2.gz	YJKYLVMUZOEJRD-LLVKDONJSA-N	-1	0	273.292	0.837	20	30		CCEDRM
CCO[C@@H](CC)C(=O)[N-]S(=O)(=O)c1cncc(C#N)c1	ZINC000813981249	615403284	/nfs/dbraw/zinc/40/32/84/615403284.db2.gz	WHHGKUHLTSMMNJ-NSHDSACASA-N	-1	0	297.336	0.573	20	30		CCEDRM
CC[C@@H]1CN(C(=O)[C@]2(C#N)CCCOC2)C[C@@]1(F)C(=O)[O-]	ZINC000923102579	615560824	/nfs/dbraw/zinc/56/08/24/615560824.db2.gz	PINYYVGQZUOFRD-SWHYSGLUSA-N	-1	0	298.314	0.968	20	30		CCEDRM
CC[C@@]1(C(=O)[N-]Oc2cccc(C#N)c2)CCNC1=O	ZINC000870693547	615595331	/nfs/dbraw/zinc/59/53/31/615595331.db2.gz	LIPNAEWWVFENDL-CQSZACIVSA-N	-1	0	273.292	0.885	20	30		CCEDRM
CC[C@H](C#N)OC(=O)c1cc(-c2nn[nH]n2)cn1C	ZINC000820842419	615600169	/nfs/dbraw/zinc/60/01/69/615600169.db2.gz	MOZGMEARPHUAHX-MRVPVSSYSA-N	-1	0	260.257	0.664	20	30		CCEDRM
CC[C@H](C[C@H](C)CO)NC(=O)[C@](C)(C#N)CC(=O)[O-]	ZINC000820272484	615748763	/nfs/dbraw/zinc/74/87/63/615748763.db2.gz	CQUCQEWHZPGCMB-CWSCBRNRSA-N	-1	0	270.329	0.904	20	30		CCEDRM
CN(C(=O)CN(CC#N)CC(=O)[O-])c1nccs1	ZINC000830478628	615813669	/nfs/dbraw/zinc/81/36/69/615813669.db2.gz	UHPAUJRSNCBJSG-UHFFFAOYSA-N	-1	0	268.298	0.016	20	30		CCEDRM
CCc1noc(CN2CCN(C(=O)[O-])C[C@H]2C#N)n1	ZINC000827675200	615838206	/nfs/dbraw/zinc/83/82/06/615838206.db2.gz	KGZRIZCMORJJBQ-MRVPVSSYSA-N	-1	0	265.273	0.320	20	30		CCEDRM
CCn1c(C=Nn2c(=O)[n-][nH]c2=O)nc2ccccc21	ZINC000814231252	615922977	/nfs/dbraw/zinc/92/29/77/615922977.db2.gz	RPIBOWDXUDMKEM-UHFFFAOYSA-N	-1	0	272.268	0.941	20	30		CCEDRM
CCn1cc(CN(C)C(=O)[C@@](C)(C#N)CC(=O)[O-])cn1	ZINC000820511454	615982708	/nfs/dbraw/zinc/98/27/08/615982708.db2.gz	OZGLOWLXPDKJLE-CYBMUJFWSA-N	-1	0	278.312	0.866	20	30		CCEDRM
CC[S@](C)(=O)=NS(=O)(=O)[N-][C@@H](C#N)C(C)(C)C	ZINC000906059926	616021875	/nfs/dbraw/zinc/02/18/75/616021875.db2.gz	CPUMLUKKYUQJHM-PWJLMRLQSA-N	-1	0	281.403	0.877	20	30		CCEDRM
CN(CC#N)C(=O)CO[C@H]1CCCN(C(=O)[O-])C1	ZINC000828085807	616039779	/nfs/dbraw/zinc/03/97/79/616039779.db2.gz	KQJUBEFLKDTDEH-VIFPVBQESA-N	-1	0	255.274	0.127	20	30		CCEDRM
CN(CCCNC(=O)Nc1nn(C)cc1C#N)C(=O)[O-]	ZINC000828294287	616075109	/nfs/dbraw/zinc/07/51/09/616075109.db2.gz	XINKKYITVIIWSK-UHFFFAOYSA-N	-1	0	280.288	0.413	20	30		CCEDRM
CN(CCNC(=O)Cc1cccc(C#N)c1)C(=O)[O-]	ZINC000828321425	616091994	/nfs/dbraw/zinc/09/19/94/616091994.db2.gz	QDLBBTHOXHGXLE-UHFFFAOYSA-N	-1	0	261.281	0.827	20	30		CCEDRM
CN1CCC[C@@H](N[C@H](C(=O)[O-])c2ccc(C#N)cc2)C1=O	ZINC000830935331	616190902	/nfs/dbraw/zinc/19/09/02/616190902.db2.gz	WFWBMLACQIJHCF-OLZOCXBDSA-N	-1	0	287.319	0.894	20	30		CCEDRM
COC(=O)c1oc(C([O-])=C(C#N)C(=O)NC2CC2)cc1C	ZINC000860474254	616279567	/nfs/dbraw/zinc/27/95/67/616279567.db2.gz	XPHNPOYAPLLVTH-SECBINFHSA-N	-1	0	290.275	0.976	20	30		CCEDRM
COC(C)(C)C(=O)[N-]S(=O)(=O)c1cncc(C#N)c1	ZINC000813981410	616286144	/nfs/dbraw/zinc/28/61/44/616286144.db2.gz	OMDFHVMDLQBLOI-UHFFFAOYSA-N	-1	0	283.309	0.183	20	30		CCEDRM
COC(C)(C)CCS(=O)(=O)[N-]C(=O)CCCC#N	ZINC000813091996	616293404	/nfs/dbraw/zinc/29/34/04/616293404.db2.gz	XISRMXXMMRNATA-UHFFFAOYSA-N	-1	0	276.358	0.941	20	30		CCEDRM
COC(=O)[C@@H]1CN(C(=O)[C@](C)(C#N)CC(=O)[O-])C[C@@H]1C	ZINC000820660608	616381201	/nfs/dbraw/zinc/38/12/01/616381201.db2.gz	JITALJGTYYRVGA-RWEMILLDSA-N	-1	0	282.296	0.258	20	30		CCEDRM
COCCNC(=O)C(C#N)=C([O-])c1ccc(OC)o1	ZINC000847623400	616491710	/nfs/dbraw/zinc/49/17/10/616491710.db2.gz	JXTJNEHVDMHXTD-QMMMGPOBSA-N	-1	0	266.253	0.373	20	30		CCEDRM
COCCNC(=O)C(C#N)=C([O-])c1cc(C(C)=O)cn1C	ZINC000916892473	616492014	/nfs/dbraw/zinc/49/20/14/616492014.db2.gz	MBBOUYHTKUKQMQ-NSHDSACASA-N	-1	0	291.307	0.313	20	30		CCEDRM
COCCNC(=O)C(C#N)=C([O-])c1ccc(OC)nc1	ZINC000916892909	616496520	/nfs/dbraw/zinc/49/65/20/616496520.db2.gz	SEVIWDIYESAISV-SNVBAGLBSA-N	-1	0	277.280	0.175	20	30		CCEDRM
COCCS(=O)(=O)[N-]C(=O)c1ccc(C#N)c(OC)c1	ZINC000850834613	616610370	/nfs/dbraw/zinc/61/03/70/616610370.db2.gz	KQADQLQFKQQDTF-UHFFFAOYSA-N	-1	0	298.320	0.273	20	30		CCEDRM
COC(=O)[C@H]1CCCN(C(=O)[C@](C)(C#N)CC(=O)[O-])C1	ZINC000820660995	616652110	/nfs/dbraw/zinc/65/21/10/616652110.db2.gz	QHRVZDGESFODKF-ZANVPECISA-N	-1	0	282.296	0.403	20	30		CCEDRM
COC(=O)[C@H]1CCC[C@@H](C(=O)N(CC#N)CC(=O)[O-])C1	ZINC000831100937	616657784	/nfs/dbraw/zinc/65/77/84/616657784.db2.gz	SKJLVNOVSQWLPZ-ZJUUUORDSA-N	-1	0	282.296	0.403	20	30		CCEDRM
CNC(=O)C(C#N)=C([O-])c1nc(C)cc(C(F)(F)F)n1	ZINC000873498673	616777922	/nfs/dbraw/zinc/77/79/22/616777922.db2.gz	SIXBAPLGDAUFIF-LURJTMIESA-N	-1	0	286.213	0.872	20	30		CCEDRM
CNC(=O)C(C#N)=C([O-])c1ncc(OC)cc1F	ZINC000870152977	616778112	/nfs/dbraw/zinc/77/81/12/616778112.db2.gz	FGYOMVBLJSMBKZ-ZETCQYMHSA-N	-1	0	251.217	0.298	20	30		CCEDRM
CNC(=O)C(C#N)=C([O-])c1cnc(C(C)(C)C)nc1	ZINC000808979669	616778136	/nfs/dbraw/zinc/77/81/36/616778136.db2.gz	YOHSLLPQNRBKNJ-VIFPVBQESA-N	-1	0	260.297	0.843	20	30		CCEDRM
CNC(=O)C(C#N)=C([O-])c1cccc(OCC(=O)OC)c1	ZINC000918490330	616778141	/nfs/dbraw/zinc/77/81/41/616778141.db2.gz	SLAXTOYVIOAMGL-NSHDSACASA-N	-1	0	290.275	0.307	20	30		CCEDRM
COC[C@](C)(CC(=O)[O-])NC(=O)CSCC#N	ZINC000831554143	616818380	/nfs/dbraw/zinc/81/83/80/616818380.db2.gz	ZVKSKSZTRVFKPQ-JTQLQIEISA-N	-1	0	260.315	0.239	20	30		CCEDRM
CNC(=O)C(C#N)=C([O-])c1cc(C(F)(F)F)ncn1	ZINC000870153307	616838718	/nfs/dbraw/zinc/83/87/18/616838718.db2.gz	OVHLDOVSSHGKLR-RXMQYKEDSA-N	-1	0	272.186	0.564	20	30		CCEDRM
CNC(=O)C(C#N)=C([O-])c1cnn2c1C[C@@H](C)CC2	ZINC000842687716	616839577	/nfs/dbraw/zinc/83/95/77/616839577.db2.gz	AHNBFLZVNWKXCW-DTWKUNHWSA-N	-1	0	260.297	0.534	20	30		CCEDRM
COCCCNC(=O)C(C#N)=C([O-])c1cc(C)n(C)n1	ZINC000917520425	616901860	/nfs/dbraw/zinc/90/18/60/616901860.db2.gz	NYYTXJUPUNLCAP-SNVBAGLBSA-N	-1	0	278.312	0.204	20	30		CCEDRM
COCCCNC(=O)C(C#N)=C([O-])c1nc(C)oc1C	ZINC000815904814	616902014	/nfs/dbraw/zinc/90/20/14/616902014.db2.gz	QNQDMFVEBCDLAR-SNVBAGLBSA-N	-1	0	279.296	0.767	20	30		CCEDRM
COCc1ccccc1C(=O)[N-]S(=O)(=O)CCC#N	ZINC000821583931	616906529	/nfs/dbraw/zinc/90/65/29/616906529.db2.gz	LXLDHLLRQRHLBH-UHFFFAOYSA-N	-1	0	282.321	0.806	20	30		CCEDRM
CNC(=O)c1ccc(NC(=O)[C@@](C)(C#N)CC(=O)[O-])cc1	ZINC000820640614	616912714	/nfs/dbraw/zinc/91/27/14/616912714.db2.gz	GZBFLHBBPOSEEC-CQSZACIVSA-N	-1	0	289.291	0.989	20	30		CCEDRM
CNC(=S)N(C)N=Cc1cc(C(=O)[O-])cn1C	ZINC000901252366	616928038	/nfs/dbraw/zinc/92/80/38/616928038.db2.gz	FBFXJCZRBQRCQF-UHFFFAOYSA-N	-1	0	254.315	0.493	20	30		CCEDRM
COCCN(CCC#N)C[C@@H]1CCN(C(=O)[O-])C1	ZINC000828980086	616992674	/nfs/dbraw/zinc/99/26/74/616992674.db2.gz	SBQPVNNMKVTVIN-NSHDSACASA-N	-1	0	255.318	0.848	20	30		CCEDRM
COC[C@@](C)(C#N)NC(=O)[C@@H](CC(F)F)NC(=O)[O-]	ZINC000833883369	617011409	/nfs/dbraw/zinc/01/14/09/617011409.db2.gz	XONNEZIKLULJGG-LHLIQPBNSA-N	-1	0	279.243	0.323	20	30		CCEDRM
COC[C@@](C)(CC(=O)[O-])NC(=O)c1ccc(C#N)[nH]1	ZINC000833722233	617012552	/nfs/dbraw/zinc/01/25/52/617012552.db2.gz	OHPDNWPGRCQFGO-GFCCVEGCSA-N	-1	0	265.269	0.496	20	30		CCEDRM
COC[C@@](C)(NC(=O)c1ccc(C=NOC)cc1)C(=O)[O-]	ZINC000831617355	617022969	/nfs/dbraw/zinc/02/29/69/617022969.db2.gz	HVOOPVZNECEMLT-CQSZACIVSA-N	-1	0	294.307	0.886	20	30		CCEDRM
CO[C@H](C)CS(=O)(=O)[N-]C(=O)c1cccc(C#N)n1	ZINC000810721887	617076189	/nfs/dbraw/zinc/07/61/89/617076189.db2.gz	GZMMGXOJUMYDDE-MRVPVSSYSA-N	-1	0	283.309	0.048	20	30		CCEDRM
CO[N-]C(=O)CNC(=O)N(C)CCc1cccc(C#N)c1	ZINC000927220815	617110816	/nfs/dbraw/zinc/11/08/16/617110816.db2.gz	XIKTWHACZMMWMA-UHFFFAOYSA-N	-1	0	290.323	0.420	20	30		CCEDRM
CO[N-]C(=O)CNC(=O)c1ccccc1SCC#N	ZINC000832776425	617116612	/nfs/dbraw/zinc/11/66/12/617116612.db2.gz	SDWLUIFHIAZJIG-UHFFFAOYSA-N	-1	0	279.321	0.710	20	30		CCEDRM
COc1cc(C#N)ccc1CN1CCO[C@@H](C(=O)[O-])C1	ZINC000820754507	617152663	/nfs/dbraw/zinc/15/26/63/617152663.db2.gz	GYBPNVUSORYYOY-CYBMUJFWSA-N	-1	0	276.292	0.852	20	30		CCEDRM
N#CC1(CC(=O)[N-]S(=O)(=O)C2(Cl)CC2)CC1	ZINC000893234759	625389598	/nfs/dbraw/zinc/38/95/98/625389598.db2.gz	KFSCLZSQDKITSM-UHFFFAOYSA-N	-1	0	262.718	0.855	20	30		CCEDRM
Cc1n[nH]c(C(=O)NC[C@@H]2CCCCN2CC#N)c1[O-]	ZINC001024396521	623310980	/nfs/dbraw/zinc/31/09/80/623310980.db2.gz	SFWQZVOJWLWOIJ-JTQLQIEISA-N	-1	0	277.328	0.532	20	30		CCEDRM
C[C@@H](CC(=O)[N-]S(C)(=O)=O)NC(=O)C1CCCC1	ZINC000066229799	623439695	/nfs/dbraw/zinc/43/96/95/623439695.db2.gz	RIERIWZDHGHZTE-QMMMGPOBSA-N	-1	0	276.358	0.988	20	30		CCEDRM
C=CCOCCCC(=O)[N-]S(=O)(=O)Cc1ccon1	ZINC000177701770	623450137	/nfs/dbraw/zinc/45/01/37/623450137.db2.gz	UTBNEVCDRAAMRM-UHFFFAOYSA-N	-1	0	288.325	0.603	20	30		CCEDRM
N#CC(C(=O)NC1CC1)=C([O-])c1ccnc(-n2cccn2)c1	ZINC000124058207	625651455	/nfs/dbraw/zinc/65/14/55/625651455.db2.gz	AUPCJRXMNUZNCZ-GFCCVEGCSA-N	-1	0	295.302	0.868	20	30		CCEDRM
Cc1cnn(C)c1S(=O)(=O)[N-]C(=O)[C@@H](C)CC#N	ZINC000851042771	623630696	/nfs/dbraw/zinc/63/06/96/623630696.db2.gz	RPGDGXLBSBWJBC-ZETCQYMHSA-N	-1	0	270.314	0.083	20	30		CCEDRM
CCCN(C)S(=O)(=O)[N-]C(=O)c1cc(C#N)cs1	ZINC000178290857	623823365	/nfs/dbraw/zinc/82/33/65/623823365.db2.gz	KJJPHVOEFBMOPN-UHFFFAOYSA-N	-1	0	287.366	0.936	20	30		CCEDRM
N#CCN[C@H]1C[C@H](NC(=O)c2n[n-]c3ccccc3c2=O)C1	ZINC001020660851	624569053	/nfs/dbraw/zinc/56/90/53/624569053.db2.gz	JLAWQDCTAGIDGC-MGCOHNPYSA-N	-1	0	297.318	0.709	20	30		CCEDRM
N#CCCN1CCN(C(=O)[C@]2(C(=O)[O-])CC=CCC2)CC1	ZINC000902487974	634398241	/nfs/dbraw/zinc/39/82/41/634398241.db2.gz	GFUBXGPUBVTPIF-HNNXBMFYSA-N	-1	0	291.351	0.855	20	30		CCEDRM
Cc1[nH]nc(C(=O)N2CC[C@H](N(C)CC#N)C2)c1[O-]	ZINC000971362229	624840895	/nfs/dbraw/zinc/84/08/95/624840895.db2.gz	VMHMMFSBLVBNQI-VIFPVBQESA-N	-1	0	263.301	0.094	20	30		CCEDRM
CCOCCC(=O)[N-]S(=O)(=O)c1cccc(C#N)c1	ZINC000176081949	624995286	/nfs/dbraw/zinc/99/52/86/624995286.db2.gz	FJCSIHCWXVZVGC-UHFFFAOYSA-N	-1	0	282.321	0.790	20	30		CCEDRM
C[C@@H](NC(=O)COCC(=O)[O-])c1cccc(C#N)c1	ZINC000902728779	634445644	/nfs/dbraw/zinc/44/56/44/634445644.db2.gz	BKULCWBNJJHRKV-SECBINFHSA-N	-1	0	262.265	0.837	20	30		CCEDRM
C#C[C@H](NC(=O)N1CC[C@@](COC)(C(=O)[O-])C1)C(C)C	ZINC000313602257	625856399	/nfs/dbraw/zinc/85/63/99/625856399.db2.gz	BJYDGRAYJFYWNN-SMDDNHRTSA-N	-1	0	282.340	0.777	20	30		CCEDRM
O=C([O-])C#CC1CCN(S(=O)(=O)CC2(F)CC2)CC1	ZINC000903853503	634666952	/nfs/dbraw/zinc/66/69/52/634666952.db2.gz	RXJRDAJDABUGBS-UHFFFAOYSA-N	-1	0	289.328	0.618	20	30		CCEDRM
CNC(=O)C(C#N)=C([O-])c1cccc(OCCOC)c1	ZINC000121413578	632491952	/nfs/dbraw/zinc/49/19/52/632491952.db2.gz	BTVRODMJIBYJPY-GFCCVEGCSA-N	-1	0	276.292	0.780	20	30		CCEDRM
COCCNC(=O)C(C#N)=C([O-])c1cccc(COC)c1	ZINC000193416518	633342572	/nfs/dbraw/zinc/34/25/72/633342572.db2.gz	QBCFVGKSGOCIJH-ZDUSSCGKSA-N	-1	0	290.319	0.918	20	30		CCEDRM
Cn1nc(C(=O)[O-])cc1/C=C1/S/C(=N/C2CC2)NC1=O	ZINC000899386247	633812767	/nfs/dbraw/zinc/81/27/67/633812767.db2.gz	LMSHMXBSSZYWBK-WEVVVXLNSA-N	-1	0	292.320	0.841	20	30		CCEDRM
N#CC1(C(=O)N2CCO[C@H](CC(=O)[O-])C2)CCSCC1	ZINC000907601709	635164303	/nfs/dbraw/zinc/16/43/03/635164303.db2.gz	PZZPWDIGQSNBAT-SNVBAGLBSA-N	-1	0	298.364	0.725	20	30		CCEDRM
C[C@H](NC(=O)C(C)(C)C#N)C1(C(=O)[O-])CCOCC1	ZINC000907920216	635243569	/nfs/dbraw/zinc/24/35/69/635243569.db2.gz	ZOYQSPSFVMWNNY-VIFPVBQESA-N	-1	0	268.313	0.922	20	30		CCEDRM
N#C[C@]1(C(=O)N[C@H]2C[C@H]3C[C@H](C(=O)[O-])C[C@H]32)CCCOC1	ZINC000907968654	635253184	/nfs/dbraw/zinc/25/31/84/635253184.db2.gz	JJLXIWJFYXXLEQ-VNUHZKFNSA-N	-1	0	292.335	0.922	20	30		CCEDRM
C#C[C@@H](NC(=O)c1cccc(C(=O)[O-])n1)[C@H]1CCCO1	ZINC000911581222	636297387	/nfs/dbraw/zinc/29/73/87/636297387.db2.gz	WPCACBZTTYHWFJ-BXKDBHETSA-N	-1	0	274.276	0.690	20	30		CCEDRM
C=CC[C@H](CO)CNC(=O)C1(C(=O)[O-])CCOCC1	ZINC000911651288	636333676	/nfs/dbraw/zinc/33/36/76/636333676.db2.gz	PEKBULQVFCJGGD-JTQLQIEISA-N	-1	0	271.313	0.169	20	30		CCEDRM
C#CCN(C)S(=O)(=O)c1ccc(OC)c(C(=O)[O-])c1	ZINC000164450795	636872387	/nfs/dbraw/zinc/87/23/87/636872387.db2.gz	ZHZJPNMCQNKMMM-UHFFFAOYSA-N	-1	0	283.305	0.647	20	30		CCEDRM
N#CC(C(=O)NC1CC1)=C([O-])c1cccc(-n2ccnn2)c1	ZINC000165527705	636905868	/nfs/dbraw/zinc/90/58/68/636905868.db2.gz	NYFPMCSHCPJGNA-ZDUSSCGKSA-N	-1	0	295.302	0.868	20	30		CCEDRM
C=CCN(CC(=O)[O-])C(=O)[C@@H]1CCCCS1(=O)=O	ZINC000167964252	636985683	/nfs/dbraw/zinc/98/56/83/636985683.db2.gz	OEWLSHGSPUHVSB-VIFPVBQESA-N	-1	0	275.326	0.053	20	30		CCEDRM
C[C@H](CC#N)NC(=O)c1n[n-]c2ccccc2c1=O	ZINC000171867945	637150202	/nfs/dbraw/zinc/15/02/02/637150202.db2.gz	ZKVZUCUXFUEGDR-MRVPVSSYSA-N	-1	0	256.265	0.955	20	30		CCEDRM
O=C(C#Cc1ccccc1)N1CCC(c2nnn[n-]2)CC1	ZINC000913743850	637427809	/nfs/dbraw/zinc/42/78/09/637427809.db2.gz	NVIGBTCVOMTZDE-UHFFFAOYSA-N	-1	0	281.319	0.957	20	30		CCEDRM
O=C1Nc2cc(O)ccc2C1=N[N-]c1ncccn1	ZINC000915959094	637880902	/nfs/dbraw/zinc/88/09/02/637880902.db2.gz	IOWJTBXKZYTGEG-UHFFFAOYSA-N	-1	0	255.237	0.951	20	30		CCEDRM
N#Cc1c[n-]c(=O)n(C[C@@H]2CC[C@H](C3CC3)O2)c1=O	ZINC000917859219	637991481	/nfs/dbraw/zinc/99/14/81/637991481.db2.gz	PVOFTSOKUHNYES-WDEREUQCSA-N	-1	0	261.281	0.366	20	30		CCEDRM
COCCC1(C(=O)[N-]S(=O)(=O)CCCC#N)CCC1	ZINC000181278578	638329451	/nfs/dbraw/zinc/32/94/51/638329451.db2.gz	YYRLCPLEQUJWTI-UHFFFAOYSA-N	-1	0	288.369	0.943	20	30		CCEDRM
C#CCOCCC(=O)[N-]S(=O)(=O)c1cc(C)oc1C	ZINC000181338436	638342889	/nfs/dbraw/zinc/34/28/89/638342889.db2.gz	WVVXINPSFVVVJV-UHFFFAOYSA-N	-1	0	285.321	0.741	20	30		CCEDRM
C[C@H](NC(=O)[C@]1(C#N)CCCOC1)[C@H](C)C(=O)[O-]	ZINC000923077757	640015658	/nfs/dbraw/zinc/01/56/58/640015658.db2.gz	YUQXPMZZNVSYSB-AUTRQRHGSA-N	-1	0	254.286	0.532	20	30		CCEDRM
N#C[C@@]1(C(=O)N[C@H]2C[C@@H](C(=O)[O-])C2)CCCOC1	ZINC000923084508	640018770	/nfs/dbraw/zinc/01/87/70/640018770.db2.gz	YIVHNATTXOKFNJ-SBMIAAHKSA-N	-1	0	252.270	0.286	20	30		CCEDRM
N#CCCCCCC(=O)[N-]S(=O)(=O)[C@H]1CCOC1	ZINC000805882061	640438583	/nfs/dbraw/zinc/43/85/83/640438583.db2.gz	PTGGCGGPXUKQKE-JTQLQIEISA-N	-1	0	274.342	0.695	20	30		CCEDRM
N#CC(C(=O)NC1CC1)=C([O-])c1cccc(C#N)n1	ZINC000810531237	640936841	/nfs/dbraw/zinc/93/68/41/640936841.db2.gz	KQUZUKUFOXPWHW-SNVBAGLBSA-N	-1	0	254.249	0.554	20	30		CCEDRM
N#Cc1cccc(C(=O)[N-]S(=O)(=O)N2CCCCC2)n1	ZINC000810547694	640937475	/nfs/dbraw/zinc/93/74/75/640937475.db2.gz	GHPSYYHFTPLAPV-UHFFFAOYSA-N	-1	0	294.336	0.414	20	30		CCEDRM
CC#CCS(=O)(=O)[N-]C(=O)C(C)(C)CCOC	ZINC000810776782	640949314	/nfs/dbraw/zinc/94/93/14/640949314.db2.gz	IAUASMVBGQKZBV-UHFFFAOYSA-N	-1	0	261.343	0.518	20	30		CCEDRM
CC#CCS(=O)(=O)[N-]C(=O)c1cnc(COC)s1	ZINC000810776993	640949338	/nfs/dbraw/zinc/94/93/38/640949338.db2.gz	QJHJCYKPWPDVEP-UHFFFAOYSA-N	-1	0	288.350	0.372	20	30		CCEDRM
Cc1nn(C)c(Cl)c1C=Nn1c(=O)c(C)n[n-]c1=S	ZINC000812489482	641004482	/nfs/dbraw/zinc/00/44/82/641004482.db2.gz	SJSRIRPGRWASGK-UHFFFAOYSA-N	-1	0	298.759	0.813	20	30		CCEDRM
N#CCCCC(=O)[N-]S(=O)(=O)N1CCCCC1	ZINC000813062487	641020749	/nfs/dbraw/zinc/02/07/49/641020749.db2.gz	AKECTZFXIAVLEN-UHFFFAOYSA-N	-1	0	259.331	0.527	20	30		CCEDRM
Cc1occc1C(=O)[N-]S(=O)(=O)c1cncc(C#N)c1	ZINC000813981388	641051435	/nfs/dbraw/zinc/05/14/35/641051435.db2.gz	NWLBQXOQFIHTRQ-UHFFFAOYSA-N	-1	0	291.288	0.973	20	30		CCEDRM
C[C@@H]1C[C@@H]1C(=O)[N-]S(=O)(=O)c1cncc(C#N)c1	ZINC000813983471	641052203	/nfs/dbraw/zinc/05/22/03/641052203.db2.gz	WJMKQNJNZAFASJ-XCBNKYQSSA-N	-1	0	265.294	0.414	20	30		CCEDRM
O=c1[n-][nH]c(=O)n1N=CC[C@H]1CCCCC12OCCO2	ZINC000814231312	641061022	/nfs/dbraw/zinc/06/10/22/641061022.db2.gz	COAUZOWYHZBUHZ-SECBINFHSA-N	-1	0	282.300	0.847	20	30		CCEDRM
O=c1[n-][nH]c(=O)n1N=CC[C@@H]1CCCCC12OCCO2	ZINC000814231314	641061438	/nfs/dbraw/zinc/06/14/38/641061438.db2.gz	COAUZOWYHZBUHZ-VIFPVBQESA-N	-1	0	282.300	0.847	20	30		CCEDRM
O=c1[n-][nH]c(=O)n1N=Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-]	ZINC000814231858	641062305	/nfs/dbraw/zinc/06/23/05/641062305.db2.gz	PVQAANNBVCQZOT-UHFFFAOYSA-N	-1	0	294.183	0.388	20	30		CCEDRM
O=c1[n-][nH]c(=O)n1N=Cc1cnc(C2CC2)s1	ZINC000814231679	641062370	/nfs/dbraw/zinc/06/23/70/641062370.db2.gz	LEBHKLBYSOTXFW-UHFFFAOYSA-N	-1	0	251.271	0.905	20	30		CCEDRM
Cc1nn2c(C=Nn3c(=O)[n-][nH]c3=O)c(C)nc2s1	ZINC000814232438	641062411	/nfs/dbraw/zinc/06/24/11/641062411.db2.gz	WQHMBKJCELEAGT-UHFFFAOYSA-N	-1	0	279.285	0.293	20	30		CCEDRM
C[C@@H]1C[C@H](C(=O)[O-])CCC1N=Nc1ccc(C(N)=O)nn1	ZINC000814870125	641079272	/nfs/dbraw/zinc/07/92/72/641079272.db2.gz	NQNFVGYMUSTHAZ-HTQZYQBOSA-N	-1	0	291.311	0.864	20	30		CCEDRM
C[C@@H]1CC(N=Nc2ccc(C(N)=O)nn2)CC[C@H]1C(=O)[O-]	ZINC000814869642	641079613	/nfs/dbraw/zinc/07/96/13/641079613.db2.gz	AQSDLQWYBLQDJK-VXNVDRBHSA-N	-1	0	291.311	0.864	20	30		CCEDRM
O=C([O-])CNN=Cc1ncc(C2OCCO2)s1	ZINC000814958863	641084380	/nfs/dbraw/zinc/08/43/80/641084380.db2.gz	XNCHFRVJNDSFJH-UHFFFAOYSA-N	-1	0	257.271	0.197	20	30		CCEDRM
O=C([O-])CNN=C1CCC(O)(C(F)(F)F)CC1	ZINC000814958591	641084614	/nfs/dbraw/zinc/08/46/14/641084614.db2.gz	DITYSKNBNVHDJD-UHFFFAOYSA-N	-1	0	254.208	0.884	20	30		CCEDRM
C[C@H](O)CNN=Cc1cccc(OCC(=O)[O-])c1	ZINC000814963066	641085788	/nfs/dbraw/zinc/08/57/88/641085788.db2.gz	BLCXXAPQQXVZOC-VIFPVBQESA-N	-1	0	252.270	0.454	20	30		CCEDRM
N#CC1(CS(=O)(=O)N2CCC3(C[C@H]3C(=O)[O-])CC2)CC1	ZINC000819097527	641380378	/nfs/dbraw/zinc/38/03/78/641380378.db2.gz	IAHIXQGGEOAKBT-JTQLQIEISA-N	-1	0	298.364	0.807	20	30		CCEDRM
N#Cc1csc(C(=O)N=c2nn[n-]n2C2CC2)c1	ZINC000821667419	641615224	/nfs/dbraw/zinc/61/52/24/641615224.db2.gz	JMKWEAAWWWKAGU-UHFFFAOYSA-N	-1	0	260.282	0.615	20	30		CCEDRM
N#Cc1ccc(CNC(=O)c2cc(-c3nn[nH]n3)c[nH]2)cc1	ZINC000822826017	641705497	/nfs/dbraw/zinc/70/54/97/641705497.db2.gz	RKJCIJDLEPQSIE-UHFFFAOYSA-N	-1	0	293.290	0.996	20	30		CCEDRM
NC(=O)CON=C1C[C@H](NC(=O)[O-])c2ccccc21	ZINC000833984536	642544954	/nfs/dbraw/zinc/54/49/54/642544954.db2.gz	FTFSXJRYWDUBAK-VIFPVBQESA-N	-1	0	263.253	0.605	20	30		CCEDRM
Cc1cc(N(C)C)ccc1C=Nn1c(=O)[n-][nH]c1=O	ZINC000841640717	642827901	/nfs/dbraw/zinc/82/79/01/642827901.db2.gz	MSVCNECQVOHYMG-UHFFFAOYSA-N	-1	0	261.285	0.946	20	30		CCEDRM
N#CCCCS(=O)(=O)N[C@H](C(=O)[O-])c1ccc(O)cc1	ZINC000844204066	643181715	/nfs/dbraw/zinc/18/17/15/643181715.db2.gz	FQCTWPSYMULXTM-NSHDSACASA-N	-1	0	298.320	0.741	20	30		CCEDRM
COc1cc[nH]c(=NNS(=O)(=O)CCC(C)(C)C#N)n1	ZINC000844648164	643231082	/nfs/dbraw/zinc/23/10/82/643231082.db2.gz	RDMKDYCSZVJKEX-UHFFFAOYSA-N	-1	0	299.356	0.671	20	30		CCEDRM
N#CCC1(CS(=O)(=O)NC/C=C/C(=O)[O-])CC1	ZINC000844795777	643248361	/nfs/dbraw/zinc/24/83/61/643248361.db2.gz	GZMKKCUOZTXKKG-OWOJBTEDSA-N	-1	0	258.299	0.240	20	30		CCEDRM
N#CCC1(CS(=O)(=O)N(CC(=O)[O-])C2CC2)CC1	ZINC000844796256	643248678	/nfs/dbraw/zinc/24/86/78/643248678.db2.gz	YAWUPWHMLIMDMT-UHFFFAOYSA-N	-1	0	272.326	0.559	20	30		CCEDRM
N#CC(C(=O)NC1CC1)=C([O-])c1cnc2n1CCC2	ZINC000850759850	643810955	/nfs/dbraw/zinc/81/09/55/643810955.db2.gz	RQTQMFGFRDEHJP-SECBINFHSA-N	-1	0	258.281	0.430	20	30		CCEDRM
Cc1ncc(S(=O)(=O)[N-]C(=O)[C@@H](C)CC#N)s1	ZINC000850985973	643825240	/nfs/dbraw/zinc/82/52/40/643825240.db2.gz	VFBPDQBRHWQDOY-LURJTMIESA-N	-1	0	273.339	0.806	20	30		CCEDRM
Cc1nnc(NN=Cc2nnn(C(C)(C)C)n2)[n-]c1=O	ZINC000853270371	644096063	/nfs/dbraw/zinc/09/60/63/644096063.db2.gz	UTSRPBAZVKCRGB-UHFFFAOYSA-N	-1	0	277.292	0.073	20	30		CCEDRM
N#CC(C(=O)NC1CCCC1)=C([O-])c1cn(C2CC2)nn1	ZINC000860478680	644804470	/nfs/dbraw/zinc/80/44/70/644804470.db2.gz	ZLOHNIVOHZEAIV-NSHDSACASA-N	-1	0	287.323	0.994	20	30		CCEDRM
N#Cc1ccc(C2(C(=O)[N-]OCC(N)=O)CCCC2)cc1	ZINC000860580840	644812571	/nfs/dbraw/zinc/81/25/71/644812571.db2.gz	KICCHSJTHQFDAP-UHFFFAOYSA-N	-1	0	287.319	0.903	20	30		CCEDRM
N#CCN[C@H]1CCN(C(=O)c2n[n-]c3ccccc3c2=O)C1	ZINC001019455613	650974755	/nfs/dbraw/zinc/97/47/55/650974755.db2.gz	CGFWNQWBUYIFTI-JTQLQIEISA-N	-1	0	297.318	0.663	20	30		CCEDRM
C[C@H]1CC(=Nn2ccc(=O)[nH]c2=O)CC[C@H]1C(=O)[O-]	ZINC000863182314	645067865	/nfs/dbraw/zinc/06/78/65/645067865.db2.gz	HMFMZOJHLLUUFG-IONNQARKSA-N	-1	0	265.269	0.674	20	30		CCEDRM
C[C@@]1([N-]C(=O)C(F)(F)F)CCN(c2ccc(C#N)nn2)C1	ZINC000866281902	645513599	/nfs/dbraw/zinc/51/35/99/645513599.db2.gz	CPODPDKGAHQVEO-LLVKDONJSA-N	-1	0	299.256	0.996	20	30		CCEDRM
O=C(N[C@@H]1CCCN(O)C1=O)c1ncc2n1CCCC2	ZINC000868562507	645786365	/nfs/dbraw/zinc/78/63/65/645786365.db2.gz	GKCCIQRFDDJBHH-SNVBAGLBSA-N	-1	0	278.312	0.329	20	30		CCEDRM
C[C@@H](C(=O)[N-]Oc1cccc(C#N)c1)N1C(=O)CCC1=O	ZINC000870693439	646017740	/nfs/dbraw/zinc/01/77/40/646017740.db2.gz	HQSKFOOXIMSBOT-VIFPVBQESA-N	-1	0	287.275	0.506	20	30		CCEDRM
Cc1cccc(C#N)c1S(=O)(=O)N(C)CC(=O)[O-]	ZINC000871636193	646160926	/nfs/dbraw/zinc/16/09/26/646160926.db2.gz	FXACJAUNRAYARY-UHFFFAOYSA-N	-1	0	268.294	0.572	20	30		CCEDRM
C[C@@H](CCNS(=O)(=O)c1ccc(C#N)cc1)C(=O)[O-]	ZINC000129253861	647341526	/nfs/dbraw/zinc/34/15/26/647341526.db2.gz	HJBWZFXDWABTKM-VIFPVBQESA-N	-1	0	282.321	0.947	20	30		CCEDRM
C#CC1([N-]S(=O)(=O)c2cc(C(=O)OC)no2)CCCC1	ZINC000882776417	647443518	/nfs/dbraw/zinc/44/35/18/647443518.db2.gz	XEQDZTIPFZHGHW-UHFFFAOYSA-N	-1	0	298.320	0.686	20	30		CCEDRM
CC(=O)N[C@@H](C)C(=O)[N-]S(=O)(=O)c1ccccc1F	ZINC000075799279	649361783	/nfs/dbraw/zinc/36/17/83/649361783.db2.gz	YNGKPTKZAIDETL-ZETCQYMHSA-N	-1	0	288.300	0.996	20	30		CCEDRM
C=C(Br)CNC(=O)[C@H]1CC[C@@H](C(=O)[O-])O1	ZINC000191184654	649469298	/nfs/dbraw/zinc/46/92/98/649469298.db2.gz	FWHVHMMZUMBFNP-RQJHMYQMSA-N	-1	0	278.102	0.643	20	30		CCEDRM
C=CCN(CC(=O)[O-])C(=O)c1ccc2c(c1)nnn2C	ZINC000191246403	649470068	/nfs/dbraw/zinc/47/00/68/649470068.db2.gz	GYVRAIMVLYPVDR-UHFFFAOYSA-N	-1	0	274.280	0.681	20	30		CCEDRM
COCCNC(=O)C(C#N)=C([O-])c1ccc([N+](=O)[O-])cc1	ZINC000193410870	649537344	/nfs/dbraw/zinc/53/73/44/649537344.db2.gz	BIEXYMPNTHIFBM-NSHDSACASA-N	-1	0	291.263	0.680	20	30		CCEDRM
C#CCN1CCN(C(=O)c2cccc([N+](=O)[O-])c2[O-])CC1	ZINC000089783575	649663461	/nfs/dbraw/zinc/66/34/61/649663461.db2.gz	ZLDQKQNPVFBEEG-UHFFFAOYSA-N	-1	0	289.291	0.691	20	30		CCEDRM
C=CCN(CC(=O)[O-])C(=O)NC[C@H]1CCCCO1	ZINC000092467854	649724216	/nfs/dbraw/zinc/72/42/16/649724216.db2.gz	ULTNWLKLUNBPKF-SNVBAGLBSA-N	-1	0	256.302	0.838	20	30		CCEDRM
C#CCN(CC(=O)[O-])S(=O)(=O)N1CCCC[C@H]1C	ZINC000092479805	649724408	/nfs/dbraw/zinc/72/44/08/649724408.db2.gz	IBTFWALSTMRKSW-SNVBAGLBSA-N	-1	0	274.342	0.125	20	30		CCEDRM
C[C@@H](C#N)S(=O)(=O)[N-]c1ccc(S(C)(=O)=O)cc1	ZINC000088475560	790360518	/nfs/dbraw/zinc/36/05/18/790360518.db2.gz	UWKSZKHWRQOWEB-QMMMGPOBSA-N	-1	0	288.350	0.744	20	30		CCEDRM
C=CCC1(C(=O)[O-])CN(S(=O)(=O)c2cn(C)c(C)n2)C1	ZINC000722896981	791019885	/nfs/dbraw/zinc/01/98/85/791019885.db2.gz	DIGPKTODUUWJKX-UHFFFAOYSA-N	-1	0	299.352	0.380	20	30		CCEDRM
CC(C)(C)OC(=O)N1C[C@H](Oc2n[nH]c(=O)[n-]2)[C@H](C#N)C1	ZINC001231300265	805772467	/nfs/dbraw/zinc/77/24/67/805772467.db2.gz	CPELRIHJPGFSDD-SFYZADRCSA-N	-1	0	295.299	0.648	20	30		CCEDRM
N#C[C@H]1CN(Cc2cc(C(=O)[O-])ccc2O)CCO1	ZINC001231566141	805817566	/nfs/dbraw/zinc/81/75/66/805817566.db2.gz	RSFUSNFGGHJDED-NSHDSACASA-N	-1	0	262.265	0.815	20	30		CCEDRM
C#CCN1CCN(Cc2ccccc2OCC(=O)[O-])CC1	ZINC001231797475	805858072	/nfs/dbraw/zinc/85/80/72/805858072.db2.gz	UWTLXIKLLXJULT-UHFFFAOYSA-N	-1	0	288.347	0.901	20	30		CCEDRM
N#Cc1ncc(NC(=O)C(=O)[O-])cc1C(F)(F)F	ZINC001143410178	791329754	/nfs/dbraw/zinc/32/97/54/791329754.db2.gz	VRPKEBJHMZWWGC-UHFFFAOYSA-N	-1	0	259.143	0.995	20	30		CCEDRM
Cc1cc(N=C(NO)c2nonc2N)cc(C(=O)[O-])c1	ZINC001211535189	791467784	/nfs/dbraw/zinc/46/77/84/791467784.db2.gz	SCSSBLVNZOPRIP-UHFFFAOYSA-N	-1	0	277.240	0.716	20	30		CCEDRM
N#Cc1c[nH]c2nc(Cl)cc(N[C@@H]3CO[N-]C3=O)c12	ZINC001167512799	791498644	/nfs/dbraw/zinc/49/86/44/791498644.db2.gz	DRYHSHUYAAEKLR-SSDOTTSWSA-N	-1	0	277.671	0.930	20	30		CCEDRM
N#CCC(=O)c1ccccc1OC(=O)[C@H](O)CC(=O)[O-]	ZINC001233524888	806075726	/nfs/dbraw/zinc/07/57/26/806075726.db2.gz	RHSIFBMSKCXNAX-SNVBAGLBSA-N	-1	0	277.232	0.524	20	30		CCEDRM
N#Cc1ccc2nc(=O)[n-]c(OC[C@H]3COCO3)c2c1	ZINC001234529810	806267759	/nfs/dbraw/zinc/26/77/59/806267759.db2.gz	GCYGWANFDKSDLL-SECBINFHSA-N	-1	0	273.248	0.959	20	30		CCEDRM
C=CCN(C(=O)c1c[n-]ncc1=O)[C@H](C)COC	ZINC001120756786	798930368	/nfs/dbraw/zinc/93/03/68/798930368.db2.gz	OOZLZFAUQNSURO-SECBINFHSA-N	-1	0	251.286	0.845	20	30		CCEDRM
Cn1c(=O)[n-]c(N[C@@H]2CCCC2(C)C)c(C#N)c1=O	ZINC001120821557	798943492	/nfs/dbraw/zinc/94/34/92/798943492.db2.gz	MQMAPXWCPUIXGF-SECBINFHSA-N	-1	0	262.313	0.936	20	30		CCEDRM
CON(C)c1nnc(-c2c[n-]c(=O)c(C#N)c2)n1C	ZINC001121304493	799030383	/nfs/dbraw/zinc/03/03/83/799030383.db2.gz	INNGPHMZYICTHI-UHFFFAOYSA-N	-1	0	260.257	0.452	20	30		CCEDRM
C=CCn1c(-c2cc(=O)[nH][n-]2)nnc1N1CC[C@@H](C)[C@@H]1C	ZINC001121561374	799057377	/nfs/dbraw/zinc/05/73/77/799057377.db2.gz	AYVWBFLZMDUPDJ-ZJUUUORDSA-N	-1	0	288.355	0.923	20	30		CCEDRM
C=CCNC(=O)C(C#N)=C([O-])c1ccn(CCOC)n1	ZINC001122416396	799229024	/nfs/dbraw/zinc/22/90/24/799229024.db2.gz	YNZUEKGJCKCJOK-JTQLQIEISA-N	-1	0	276.296	0.154	20	30		CCEDRM
CNC(=O)C(C#N)=C([O-])c1cc(C)c(C(=O)OC)o1	ZINC001122427864	799232449	/nfs/dbraw/zinc/23/24/49/799232449.db2.gz	ORCMJLIEFBJIFR-ZETCQYMHSA-N	-1	0	264.237	0.443	20	30		CCEDRM
CNC(=O)C(C#N)=C([O-])c1c[nH]c(C(=O)N2CCCC2)c1	ZINC001122624821	799278009	/nfs/dbraw/zinc/27/80/09/799278009.db2.gz	JBJYNAJFMHAMRC-SNVBAGLBSA-N	-1	0	288.307	0.319	20	30		CCEDRM
CNC(=O)C(C#N)=C([O-])c1cccc(C[S@@](C)=O)c1	ZINC001122707491	799288772	/nfs/dbraw/zinc/28/87/72/799288772.db2.gz	LJMVYSSUGZVQRA-JEOXALJRSA-N	-1	0	278.333	0.634	20	30		CCEDRM
C=CCn1cc(C(=O)N2CC[C@H]([C@@H](F)C(=O)[O-])C2)nn1	ZINC001123384544	799402647	/nfs/dbraw/zinc/40/26/47/799402647.db2.gz	MMRUETUQKNBJER-WCBMZHEXSA-N	-1	0	282.275	0.349	20	30		CCEDRM
C=CCO[N-]C(=O)Cn1ccc(Br)cc1=O	ZINC001140883835	799955626	/nfs/dbraw/zinc/95/56/26/799955626.db2.gz	GTPOIPSCELOSHF-UHFFFAOYSA-N	-1	0	287.113	0.845	20	30		CCEDRM
C=C(C)C(=O)N(CCC[NH3+])C[C@@H](S)OP(=O)([O-])[O-]	ZINC001142519232	800127715	/nfs/dbraw/zinc/12/77/15/800127715.db2.gz	XDADHCRAGLYJDV-MRVPVSSYSA-N	-1	0	298.301	0.105	20	30		CCEDRM
N#C[C@@H](NC(=O)c1c[n-]n2c1nccc2=O)C1CCCC1	ZINC001153356928	800625928	/nfs/dbraw/zinc/62/59/28/800625928.db2.gz	IDRLLEKKQNHWGG-LLVKDONJSA-N	-1	0	285.307	0.835	20	30		CCEDRM
N#Cc1cc(Cl)ncc1C(F)(F)N[C@@H]1CO[N-]C1=O	ZINC001156694250	801213657	/nfs/dbraw/zinc/21/36/57/801213657.db2.gz	DMKDNOZNJHXQEI-SSDOTTSWSA-N	-1	0	288.641	0.676	20	30		CCEDRM
N#Cc1ccc(-c2ccncc2)nc1N[C@@H]1CO[N-]C1=O	ZINC001156694510	801214261	/nfs/dbraw/zinc/21/42/61/801214261.db2.gz	GCFUIXYHRXSLSG-GFCCVEGCSA-N	-1	0	281.275	0.857	20	30		CCEDRM
Cc1cc(N[C@@H]2C(=O)N(S(=O)(=O)[O-])[C@H]2C)ncc1C#N	ZINC001157067588	801294201	/nfs/dbraw/zinc/29/42/01/801294201.db2.gz	IRZAANVXVAKKFA-XVKPBYJWSA-N	-1	0	296.308	0.076	20	30		CCEDRM
N#Cc1c[nH]c2c1cccc2C(=O)N[C@@H]1CO[N-]C1=O	ZINC001157172142	801318347	/nfs/dbraw/zinc/31/83/47/801318347.db2.gz	WUAXMDFVVORSRW-SNVBAGLBSA-N	-1	0	270.248	0.199	20	30		CCEDRM
N#Cc1nccnc1NC(=N)SCCS(=O)(=O)[O-]	ZINC001157322052	801352527	/nfs/dbraw/zinc/35/25/27/801352527.db2.gz	NXYKODZSJIBBLV-UHFFFAOYSA-N	-1	0	287.326	0.316	20	30		CCEDRM
CC[C@@H](NC(=O)c1[n-]c(=O)c(C#N)cc1C)[C@@H](C)O	ZINC001157766678	801474390	/nfs/dbraw/zinc/47/43/90/801474390.db2.gz	NBQJHZJXBRZJKO-PSASIEDQSA-N	-1	0	263.297	0.857	20	30		CCEDRM
N#Cc1sccc1C(=O)Nn1c(=O)[n-][nH]c1=O	ZINC001160073365	801903658	/nfs/dbraw/zinc/90/36/58/801903658.db2.gz	LSRLNCHPLRPWNQ-UHFFFAOYSA-N	-1	0	251.227	0.006	20	30		CCEDRM
N#Cc1cnoc1[N-]S(=O)(=O)C1CCOCC1	ZINC001259907959	808797576	/nfs/dbraw/zinc/79/75/76/808797576.db2.gz	NNIFBFVCDMENEL-UHFFFAOYSA-N	-1	0	257.271	0.467	20	30		CCEDRM
C=CCS(=O)(=O)[N-][C@](C)(C(=O)OC)C(F)(F)F	ZINC001259936324	808811415	/nfs/dbraw/zinc/81/14/15/808811415.db2.gz	QNOKYBCPASYSAQ-SSDOTTSWSA-N	-1	0	275.248	0.586	20	30		CCEDRM
N#Cc1nc(NC(=O)[C@@H]2C[C@H]3CC(=O)[C@@H]2C3)[n-]c1C#N	ZINC001163738214	802601367	/nfs/dbraw/zinc/60/13/67/802601367.db2.gz	PYNLESVVFYPGKM-XLPZGREQSA-N	-1	0	269.264	0.707	20	30		CCEDRM
CCc1ncncc1C(=O)Nc1nc(C#N)c(C#N)[n-]1	ZINC001163736545	802601717	/nfs/dbraw/zinc/60/17/17/802601717.db2.gz	BFXAYDCNVIRIPA-UHFFFAOYSA-N	-1	0	267.252	0.758	20	30		CCEDRM
C=CCC1(O)CN(C(=O)c2ccc3oc(=O)nc-3[n-]2)C1	ZINC001263931525	809609213	/nfs/dbraw/zinc/60/92/13/809609213.db2.gz	YKXSGCGVYQSLDO-UHFFFAOYSA-N	-1	0	275.264	0.691	20	30		CCEDRM
N#Cc1cccnc1N1CCC(OCc2nnn[n-]2)CC1	ZINC001223028236	804950185	/nfs/dbraw/zinc/95/01/85/804950185.db2.gz	ZJWQMTFYMFCOHU-UHFFFAOYSA-N	-1	0	285.311	0.652	20	30		CCEDRM
C=CCOC[C@@H](CS(=O)(=O)[O-])OCc1ncco1	ZINC001223118735	804955808	/nfs/dbraw/zinc/95/58/08/804955808.db2.gz	CZLUKEIUFLAYAN-VIFPVBQESA-N	-1	0	277.298	0.650	20	30		CCEDRM
C=CCOC[C@H](CS(=O)(=O)[O-])OCC[C@H]1CCOC1	ZINC001224704714	805070854	/nfs/dbraw/zinc/07/08/54/805070854.db2.gz	ONLPGMRBQCNCKG-VXGBXAGGSA-N	-1	0	294.369	0.889	20	30		CCEDRM
C=CCOC[C@@H](CS(=O)(=O)[O-])Oc1ncccc1C#N	ZINC001225407315	805125435	/nfs/dbraw/zinc/12/54/35/805125435.db2.gz	LOHYNDSIAWOAEX-NSHDSACASA-N	-1	0	298.320	0.791	20	30		CCEDRM
C=CCOC[C@@H](CS(=O)(=O)[O-])Oc1cccnc1C#N	ZINC001225673612	805150649	/nfs/dbraw/zinc/15/06/49/805150649.db2.gz	VLWAUCXULUNENL-JTQLQIEISA-N	-1	0	298.320	0.791	20	30		CCEDRM
N#C[C@H](Oc1c([O-])c(=O)c(=O)c1=O)c1ccccc1F	ZINC001225831788	805168106	/nfs/dbraw/zinc/16/81/06/805168106.db2.gz	CCPRWHMXSGINFG-QMMMGPOBSA-N	-1	0	275.191	0.131	20	30		CCEDRM
N#Cc1cc(F)c(=O)[n-]c1OC1CCN(N)CC1	ZINC001226008783	805186032	/nfs/dbraw/zinc/18/60/32/805186032.db2.gz	MKDJGZFONBJUOD-UHFFFAOYSA-N	-1	0	252.249	0.515	20	30		CCEDRM
C[C@@H](CN1CCOCC1)Oc1[n-]c(=O)c(F)cc1C#N	ZINC001226014693	805186197	/nfs/dbraw/zinc/18/61/97/805186197.db2.gz	ZHCZYWVBINKNSC-VIFPVBQESA-N	-1	0	281.287	0.897	20	30		CCEDRM
C=CCOC[C@H](CS(=O)(=O)[O-])Oc1cnc[nH]c1=O	ZINC001227048689	805314662	/nfs/dbraw/zinc/31/46/62/805314662.db2.gz	JASSFXOPMYDOBY-MRVPVSSYSA-N	-1	0	290.297	0.020	20	30		CCEDRM
N#CCN1CC[C@H](Oc2nc(=O)[n-]c3c2COC3)C1	ZINC001227686107	805377256	/nfs/dbraw/zinc/37/72/56/805377256.db2.gz	GJUIKIKDMGPAFQ-QMMMGPOBSA-N	-1	0	262.269	0.189	20	30		CCEDRM
C=CCOC[C@@H](CS(=O)(=O)[O-])Oc1ccn(C)n1	ZINC001227684191	805377826	/nfs/dbraw/zinc/37/78/26/805377826.db2.gz	JGMSVAWMCXVVOL-VIFPVBQESA-N	-1	0	276.314	0.258	20	30		CCEDRM
C[C@@H]1OCc2c1[n-]c(=O)nc2O[C@@H]1CCN(CC#N)C1	ZINC001227713325	805382479	/nfs/dbraw/zinc/38/24/79/805382479.db2.gz	NLWMCBRQHKOJJU-DTWKUNHWSA-N	-1	0	276.296	0.750	20	30		CCEDRM
N#Cc1cccc([N+](=O)[O-])c1OC(=O)[C@H](O)CCC(=O)[O-]	ZINC001228768815	805478014	/nfs/dbraw/zinc/47/80/14/805478014.db2.gz	NZCWCSUVRWNPRM-SECBINFHSA-N	-1	0	294.219	0.598	20	30		CCEDRM
N#Cc1ccc([N+](=O)[O-])c(OC(=O)[C@@H](O)CC(=O)[O-])c1	ZINC001229189429	805510812	/nfs/dbraw/zinc/51/08/12/805510812.db2.gz	UPVPPYQFUTZPFX-QMMMGPOBSA-N	-1	0	280.192	0.207	20	30		CCEDRM
C=C[C@](C)(O)CNc1ccc2c(c1)S(=O)(=O)[N-]C2=O	ZINC001252564281	807911632	/nfs/dbraw/zinc/91/16/32/807911632.db2.gz	DTGJZMPHGIYCJE-LBPRGKRZSA-N	-1	0	282.321	0.468	20	30		CCEDRM
C=CCC[C@@H](O)CN[C@@H](CCC(=O)[O-])C(=O)OC	ZINC001252615828	807920816	/nfs/dbraw/zinc/92/08/16/807920816.db2.gz	GRXNWJQWFJDLFE-ZJUUUORDSA-N	-1	0	259.302	0.310	20	30		CCEDRM
CC[C@H](C)[C@H]([N-]S(=O)(=O)CC(F)(F)F)C(=O)NO	ZINC001253261731	808039976	/nfs/dbraw/zinc/03/99/76/808039976.db2.gz	VXXJWXHSGXVLSN-WDSKDSINSA-N	-1	0	292.279	0.388	20	30		CCEDRM
C#Cc1cc(C#C)cc(-c2cn(CC(=O)[O-])nn2)c1	ZINC001254089979	808179467	/nfs/dbraw/zinc/17/94/67/808179467.db2.gz	BSCRNGPXKFDRGJ-UHFFFAOYSA-N	-1	0	251.245	0.992	20	30		CCEDRM
N#Cc1ccc(-c2cn(C3(C(=O)[O-])CC3)nn2)cn1	ZINC001254095464	808181070	/nfs/dbraw/zinc/18/10/70/808181070.db2.gz	SKAGIAOCNNYXRW-UHFFFAOYSA-N	-1	0	255.237	0.785	20	30		CCEDRM
C#CC[S@@](=O)Cc1cn(-c2ccccc2C(=O)[O-])nn1	ZINC001254098713	808181364	/nfs/dbraw/zinc/18/13/64/808181364.db2.gz	LYIFKXWJGMRSRF-HXUWFJFHSA-N	-1	0	289.316	0.847	20	30		CCEDRM
COC(=O)CS(=O)(=O)[N-]c1oc(C)c(C)c1C#N	ZINC001259018544	808718639	/nfs/dbraw/zinc/71/86/39/808718639.db2.gz	AODKYELLZBAMCV-UHFFFAOYSA-N	-1	0	272.282	0.683	20	30		CCEDRM
COC(=O)CS(=O)(=O)[N-]c1c(C#N)cnn1C(C)C	ZINC001259019034	808719453	/nfs/dbraw/zinc/71/94/53/808719453.db2.gz	QVNNTBLRFWOQMM-UHFFFAOYSA-N	-1	0	286.313	0.250	20	30		CCEDRM
COC(=O)CS(=O)(=O)[N-]c1ccccc1CC#N	ZINC001259026194	808723933	/nfs/dbraw/zinc/72/39/33/808723933.db2.gz	KXADGVVOUQTVJE-UHFFFAOYSA-N	-1	0	268.294	0.667	20	30		CCEDRM
Cn1cnc([N-]S(=O)(=O)c2cccc(C#N)c2)n1	ZINC001259117413	808732150	/nfs/dbraw/zinc/73/21/50/808732150.db2.gz	OJNLBXYKKNLYJY-UHFFFAOYSA-N	-1	0	263.282	0.488	20	30		CCEDRM
C=CCS(=O)(=O)[N-]c1c(C)noc1C(=O)OC	ZINC001259923137	808805342	/nfs/dbraw/zinc/80/53/42/808805342.db2.gz	UTSWCOAFBAPGOE-UHFFFAOYSA-N	-1	0	260.271	0.697	20	30		CCEDRM
C#Cc1cccnc1[N-]S(=O)(=O)c1cn(C)c(C)n1	ZINC001260542036	808863395	/nfs/dbraw/zinc/86/33/95/808863395.db2.gz	GCBYCOKTSORHRK-UHFFFAOYSA-N	-1	0	276.321	0.906	20	30		CCEDRM
Cn1ncc2c1ncn(N=Cc1c[nH]c(C(=O)[O-])c1)c2=O	ZINC001261236179	808935782	/nfs/dbraw/zinc/93/57/82/808935782.db2.gz	XYPPEQNOHUXDTG-UHFFFAOYSA-N	-1	0	286.251	0.039	20	30		CCEDRM
N#CCCCCC(=O)[N-]S(=O)(=O)C[C@@H]1CCCOC1	ZINC001261549623	809016727	/nfs/dbraw/zinc/01/67/27/809016727.db2.gz	ZJLGCCZOAAXQCQ-LLVKDONJSA-N	-1	0	288.369	0.943	20	30		CCEDRM
C=C1CCC(CNC(=O)C(=O)[N-]OC[C@@H]2CCOC2)CC1	ZINC001262312310	809273250	/nfs/dbraw/zinc/27/32/50/809273250.db2.gz	YOUCHFDDXSLCSC-CYBMUJFWSA-N	-1	0	296.367	0.933	20	30		CCEDRM
C=CCn1c(-c2cc(=O)[nH][n-]2)nnc1N1CCC[C@H](C)C1	ZINC001262969683	809424332	/nfs/dbraw/zinc/42/43/32/809424332.db2.gz	OGYPLEQJDSQSBW-JTQLQIEISA-N	-1	0	288.355	0.924	20	30		CCEDRM
CNC(=O)C(C#N)=C([O-])c1ccc(-n2ccnc2)nc1	ZINC001263292804	809504450	/nfs/dbraw/zinc/50/44/50/809504450.db2.gz	SXIWBAYGOHKAJI-JTQLQIEISA-N	-1	0	269.264	0.336	20	30		CCEDRM
C#CCCCC(=O)NC[C@H]1CCCN1Cc1n[nH]c(=O)[n-]1	ZINC001267267648	811068533	/nfs/dbraw/zinc/06/85/33/811068533.db2.gz	SMNASBDNVGOLLX-LLVKDONJSA-N	-1	0	291.355	0.394	20	30		CCEDRM
CN(CCNCC#N)C(=O)C(C)(C)[N-]C(=O)C(F)(F)F	ZINC001267473986	811357036	/nfs/dbraw/zinc/35/70/36/811357036.db2.gz	PTENQXUSEAYRQT-UHFFFAOYSA-N	-1	0	294.277	0.015	20	30		CCEDRM
C=CCN(CC(=O)[O-])C(=O)NCc1ncoc1C	ZINC000397919225	811878922	/nfs/dbraw/zinc/87/89/22/811878922.db2.gz	MLBCZVTVXRKOPY-UHFFFAOYSA-N	-1	0	253.258	0.765	20	30		CCEDRM
C[C@H]1[C@H](Nc2cc(C#N)ccc2F)C(=O)N1S(=O)(=O)[O-]	ZINC001167858936	812320994	/nfs/dbraw/zinc/32/09/94/812320994.db2.gz	NCSLTTXFVJERST-WKEGUHRASA-N	-1	0	299.283	0.511	20	30		CCEDRM
C#CC[C@@H](NC(=O)c1ccc([N+](=O)[O-])cc1[O-])C(=O)OC	ZINC001141998241	814432919	/nfs/dbraw/zinc/43/29/19/814432919.db2.gz	LZANWADUDIPPKF-SNVBAGLBSA-N	-1	0	292.247	0.595	20	30		CCEDRM
C#CCOCCC(=O)[N-]S(=O)(=O)c1ccccc1F	ZINC000165276011	815732445	/nfs/dbraw/zinc/73/24/45/815732445.db2.gz	UDLCJDGYXLCVMB-UHFFFAOYSA-N	-1	0	285.296	0.671	20	30		CCEDRM
CC#CC[C@H](NS(=O)(=O)c1ccc(C#N)s1)C(=O)[O-]	ZINC000541001138	816353503	/nfs/dbraw/zinc/35/35/03/816353503.db2.gz	JQSBSSUOTOZDMQ-VIFPVBQESA-N	-1	0	298.345	0.765	20	30		CCEDRM
CC[C@H](C#CC(=O)OC)Oc1c(=O)[nH]cnc1C(=O)OC	ZINC001233758798	816402493	/nfs/dbraw/zinc/40/24/93/816402493.db2.gz	DAIYUZMDINQOMR-MRVPVSSYSA-N	-1	0	294.263	0.303	20	30		CCEDRM
CO[C@]1(C(=O)[O-])CCN(c2cc(C)ncc2C#N)C1	ZINC000703756595	819320476	/nfs/dbraw/zinc/32/04/76/819320476.db2.gz	BUIFVFYDKNTWDX-CYBMUJFWSA-N	-1	0	261.281	0.942	20	30		CCEDRM
C#CCCCCC(=O)N1CC[C@](OC)(C(=O)[O-])C1	ZINC000703763271	819324298	/nfs/dbraw/zinc/32/42/98/819324298.db2.gz	XYQZXLRETLMBGB-CYBMUJFWSA-N	-1	0	253.298	0.882	20	30		CCEDRM
Cc1[nH]nc(C(=O)N2CC[C@@H]3[C@@H](CCN3CC#N)C2)c1[O-]	ZINC001036691598	820022861	/nfs/dbraw/zinc/02/28/61/820022861.db2.gz	RWUBWBCAADFYPA-WDEREUQCSA-N	-1	0	289.339	0.484	20	30		CCEDRM
CCN(CCC#N)c1ccc(S(=O)(=O)[N-]C(C)=O)cn1	ZINC001166593036	821157701	/nfs/dbraw/zinc/15/77/01/821157701.db2.gz	GZLOENFNRXFMTO-UHFFFAOYSA-N	-1	0	296.352	0.646	20	30		CCEDRM
C=CCCC[C@@H](NC(=O)[C@H](C)N1CCN(C)CC1)C(=O)[O-]	ZINC001119586323	821377841	/nfs/dbraw/zinc/37/78/41/821377841.db2.gz	FBOPQAPCCUEHEN-QWHCGFSZSA-N	-1	0	297.399	0.548	20	30		CCEDRM
C#CC[C@H](NC(=O)[C@@H]1CCCN1C(=O)CCC)C(=O)[O-]	ZINC000822751938	821493583	/nfs/dbraw/zinc/49/35/83/821493583.db2.gz	USQJQHCXRQCUTG-QWRGUYRKSA-N	-1	0	280.324	0.370	20	30		CCEDRM
C=CCOC[C@@H](CS(=O)(=O)[O-])Oc1cnn(C)c1	ZINC001231183754	821508452	/nfs/dbraw/zinc/50/84/52/821508452.db2.gz	WDTGNSDHNZDVCJ-JTQLQIEISA-N	-1	0	276.314	0.258	20	30		CCEDRM
C#CCN1CC[C@H]1CN(C)C(=O)c1n[nH]c(C)c1[O-]	ZINC001085550026	821782544	/nfs/dbraw/zinc/78/25/44/821782544.db2.gz	JNNAHNZMKPUITK-JTQLQIEISA-N	-1	0	262.313	0.203	20	30		CCEDRM
O=C(CCC(=O)N1CC[C@@H](O)[C@H](CO)C1)C1=CC=C[CH]1	ZINC001184245027	844187775	/nfs/dbraw/zinc/18/77/75/844187775.db2.gz	NMQWQYUSKHMGDH-GXTWGEPZSA-N	-1	0	278.328	0.238	20	30		CCEDRM
Cn1c(=O)cc(NC(=O)CCC(=O)C2=CC=C[CH]2)[nH]c1=O	ZINC001184245994	844187793	/nfs/dbraw/zinc/18/77/93/844187793.db2.gz	HHISFJDACRWSQB-UHFFFAOYSA-N	-1	0	288.283	0.474	20	30		CCEDRM
CCOC(=O)c1cccc([N+](=O)[O-])c1[N-][C@@H](C#N)C(N)=O	ZINC001170536615	837987220	/nfs/dbraw/zinc/98/72/20/837987220.db2.gz	PCMOHMHDTDEOFU-QMMMGPOBSA-N	-1	0	292.251	0.561	20	30		CCEDRM
C[C@H](CC#N)N(C)S(=O)(=O)NC1(CC(=O)[O-])CC1	ZINC001592221955	977404190	/nfs/dbraw/zinc/40/41/90/977404190.db2.gz	PJRJMIQNOPGXJQ-MRVPVSSYSA-N	-1	0	275.330	0.062	20	30		CCEDRM
C[C@@H](CC#N)NC(=O)CC[C@@H]1C[C@H](C(=O)[O-])CO1	ZINC001592222335	977407136	/nfs/dbraw/zinc/40/71/36/977407136.db2.gz	VFJNWNUXKAXXJM-LPEHRKFASA-N	-1	0	254.286	0.675	20	30		CCEDRM
N#C[C@H](NC(=O)c1c[n-]n2c1nccc2=O)C1CC1	ZINC001136697486	839716650	/nfs/dbraw/zinc/71/66/50/839716650.db2.gz	SPQWCBXUWBCGBZ-VIFPVBQESA-N	-1	0	257.253	0.055	20	30		CCEDRM
C#Cc1cc(=NC(=O)c2c([O-])c(C)ncc2CO)cc[nH]1	ZINC001147833560	840694841	/nfs/dbraw/zinc/69/48/41/840694841.db2.gz	HOJZPQRGOYQMPD-UHFFFAOYSA-N	-1	0	283.287	0.638	20	30		CCEDRM
C=CCN(CC(F)(F)F)C(=O)[C@@H](OC)C(=O)[O-]	ZINC000713258246	841127412	/nfs/dbraw/zinc/12/74/12/841127412.db2.gz	DRUBIXZJZMFWJS-ZCFIWIBFSA-N	-1	0	255.192	0.663	20	30		CCEDRM
N#Cc1nn(-c2cnn(CC(=O)[O-])c2)c2ccc(N)cc12	ZINC001176273044	842350906	/nfs/dbraw/zinc/35/09/06/842350906.db2.gz	GFLCMGPVHSJBRJ-UHFFFAOYSA-N	-1	0	282.263	0.760	20	30		CCEDRM
O=C([N-][C@H](CO)C(F)(F)F)C(F)(F)C(F)F	ZINC001179894768	843070950	/nfs/dbraw/zinc/07/09/50/843070950.db2.gz	SCNULPOPEWMSPW-UWTATZPHSA-N	-1	0	257.105	0.926	20	30		CCEDRM
N#Cc1cc(NC(=O)[C@H]2CSCC(=O)N2)c([O-])cc1F	ZINC001180552239	843203782	/nfs/dbraw/zinc/20/37/82/843203782.db2.gz	LCOOVXRQPBILCG-SECBINFHSA-N	-1	0	295.295	0.573	20	30		CCEDRM
N#Cc1cnc([N-]S(=O)(=O)c2nccs2)cn1	ZINC001187848710	844782188	/nfs/dbraw/zinc/78/21/88/844782188.db2.gz	XZSICMBNAJTLNF-UHFFFAOYSA-N	-1	0	267.295	0.606	20	30		CCEDRM
N#Cc1ccc(F)c(S(=O)(=O)NCCCCO)c1	ZINC001190608472	845443887	/nfs/dbraw/zinc/44/38/87/845443887.db2.gz	RFNINAGFWHYACV-UHFFFAOYSA-N	-1	0	272.301	0.748	20	30		CCEDRM
N#Cc1ccc(CCNS(=O)(=O)c2ncc[n-]2)cc1	ZINC001190744327	845485556	/nfs/dbraw/zinc/48/55/56/845485556.db2.gz	CGUOSCQLKXBRBM-UHFFFAOYSA-N	-1	0	276.321	0.802	20	30		CCEDRM
Cn1nnnc1[N-]S(=O)(=O)c1cc(C#N)ccc1Cl	ZINC001190925494	845539020	/nfs/dbraw/zinc/53/90/20/845539020.db2.gz	HCVMFEMNFBZGQO-UHFFFAOYSA-N	-1	0	298.715	0.536	20	30		CCEDRM
N#Cc1cnn2c1ncc(C#N)c2[N-]C(=O)c1ncon1	ZINC001192015415	845771953	/nfs/dbraw/zinc/77/19/53/845771953.db2.gz	SSOYQMXTOFGBCT-UHFFFAOYSA-N	-1	0	280.207	0.108	20	30		CCEDRM
Cc1ncc(C(=O)N[C@@H]2SC(=O)[N-]C2=O)cc1C#N	ZINC001192297043	845818381	/nfs/dbraw/zinc/81/83/81/845818381.db2.gz	RHNWFOOVBKITIC-SNVBAGLBSA-N	-1	0	276.277	0.301	20	30		CCEDRM
COC(=O)c1ccc([O-])c(C(=O)N2CCOC[C@H]2C#N)c1	ZINC001192385923	845833485	/nfs/dbraw/zinc/83/34/85/845833485.db2.gz	IQNIKEQNFVKJAT-SNVBAGLBSA-N	-1	0	290.275	0.543	20	30		CCEDRM
C[C@H](C#N)NS(=O)(=O)c1ccc(OCC(=O)[O-])cc1	ZINC001192750965	845910355	/nfs/dbraw/zinc/91/03/55/845910355.db2.gz	JZHVEICWXIJLSP-MRVPVSSYSA-N	-1	0	284.293	0.340	20	30		CCEDRM
COC(=O)c1ccnc(C)c1[N-]S(=O)(=O)CC#N	ZINC001192951943	845934022	/nfs/dbraw/zinc/93/40/22/845934022.db2.gz	SRSOLZFBSXABSR-UHFFFAOYSA-N	-1	0	269.282	0.442	20	30		CCEDRM
COc1cccc([N-]S(=O)(=O)CC#N)c1OC	ZINC001192928652	845937836	/nfs/dbraw/zinc/93/78/36/845937836.db2.gz	HIYMYEVGDKMKJX-UHFFFAOYSA-N	-1	0	256.283	0.969	20	30		CCEDRM
CCOC(=O)c1c(C)nsc1[N-]S(=O)(=O)CC#N	ZINC001192935099	845940871	/nfs/dbraw/zinc/94/08/71/845940871.db2.gz	IPIVICCEGIYRKL-UHFFFAOYSA-N	-1	0	289.338	0.894	20	30		CCEDRM
CCOC(=O)c1cc([N-]S(=O)(=O)CC#N)cnc1C	ZINC001192938739	845941827	/nfs/dbraw/zinc/94/18/27/845941827.db2.gz	GHTLONLQCJMYML-UHFFFAOYSA-N	-1	0	283.309	0.832	20	30		CCEDRM
Cc1nc2c(C)cc([N-]S(=O)(=O)CC#N)cn2n1	ZINC001192938540	845941977	/nfs/dbraw/zinc/94/19/77/845941977.db2.gz	FNVHDHDDDUHXLQ-UHFFFAOYSA-N	-1	0	265.298	0.611	20	30		CCEDRM
COC(=O)c1cnc(Cl)cc1[N-]S(=O)(=O)CC#N	ZINC001192939328	845943420	/nfs/dbraw/zinc/94/34/20/845943420.db2.gz	MTCZVXIZMGXXFG-UHFFFAOYSA-N	-1	0	289.700	0.787	20	30		CCEDRM
C[C@@H](C#N)S(=O)(=O)[N-]c1cncnc1Br	ZINC001193103835	845977341	/nfs/dbraw/zinc/97/73/41/845977341.db2.gz	BWJIPRWJMFXBIF-YFKPBYRVSA-N	-1	0	291.130	0.893	20	30		CCEDRM
C[C@H](C#N)S(=O)(=O)[N-]c1cnc2c(c1)CN(C)CC2	ZINC001193104974	845978712	/nfs/dbraw/zinc/97/87/12/845978712.db2.gz	PGNVHLYUJJCJKI-SECBINFHSA-N	-1	0	280.353	0.723	20	30		CCEDRM
CCOC(=O)c1ncc([N-]S(=O)(=O)[C@H](C)C#N)cn1	ZINC001193111415	845981009	/nfs/dbraw/zinc/98/10/09/845981009.db2.gz	GNQVARIYCRVFGS-SSDOTTSWSA-N	-1	0	284.297	0.307	20	30		CCEDRM
C[C@@H](C#N)S(=O)(=O)[N-]c1ncccc1N1CCOCC1	ZINC001193113019	845982782	/nfs/dbraw/zinc/98/27/82/845982782.db2.gz	XMGOLSCWWQAPNI-JTQLQIEISA-N	-1	0	296.352	0.572	20	30		CCEDRM
C[C@H](C#N)S(=O)(=O)[N-]c1ccc2c(c1)CNC2=O	ZINC001193147285	846004726	/nfs/dbraw/zinc/00/47/26/846004726.db2.gz	ZRMYBMGKLVEYDV-SSDOTTSWSA-N	-1	0	265.294	0.584	20	30		CCEDRM
COC(=O)c1cc(O)cc([N-]S(=O)(=O)[C@H](C)C#N)c1	ZINC001193148771	846004874	/nfs/dbraw/zinc/00/48/74/846004874.db2.gz	DUHLIVQMZCLMLM-SSDOTTSWSA-N	-1	0	284.293	0.833	20	30		CCEDRM
COc1cc(CO)ccc1[N-]S(=O)(=O)[C@H](C)C#N	ZINC001193149372	846006642	/nfs/dbraw/zinc/00/66/42/846006642.db2.gz	NQEGBMDKMOXEFL-MRVPVSSYSA-N	-1	0	270.310	0.841	20	30		CCEDRM
C[C@H](C#N)S(=O)(=O)[N-]c1ccc2c(c1)[nH]c(=O)[nH]c2=O	ZINC001193149531	846007090	/nfs/dbraw/zinc/00/70/90/846007090.db2.gz	PMPZMWZWWMKRIA-ZCFIWIBFSA-N	-1	0	294.292	0.695	20	30		CCEDRM
COC(=O)c1ccc(O)cc1[N-]S(=O)(=O)[C@H](C)C#N	ZINC001193161523	846010346	/nfs/dbraw/zinc/01/03/46/846010346.db2.gz	QTNWCLPSEJKBPO-SSDOTTSWSA-N	-1	0	284.293	0.833	20	30		CCEDRM
Cn1ncc([N-]S(=O)(=O)C[C@@H]2CCCO2)c1C#N	ZINC001193212417	846021951	/nfs/dbraw/zinc/02/19/51/846021951.db2.gz	CCTMTTGMZQGAEP-QMMMGPOBSA-N	-1	0	270.314	0.212	20	30		CCEDRM
COc1ncnc([N-]S(=O)(=O)CC2CCC2)c1C#N	ZINC001193478828	846090240	/nfs/dbraw/zinc/09/02/40/846090240.db2.gz	IOAJDPOHSKJKJE-UHFFFAOYSA-N	-1	0	282.325	0.899	20	30		CCEDRM
CCOC(=O)[C@@H](C#N)[N-]S(=O)(=O)CC1CCC1	ZINC001193534173	846096806	/nfs/dbraw/zinc/09/68/06/846096806.db2.gz	BFBRWGOOJOPQLR-SECBINFHSA-N	-1	0	260.315	0.161	20	30		CCEDRM
COCCOC1CN(C(=O)c2ccc([O-])c(C#N)c2)C1	ZINC001193506574	846101765	/nfs/dbraw/zinc/10/17/65/846101765.db2.gz	UKEXVLXVEJABIG-UHFFFAOYSA-N	-1	0	276.292	0.751	20	30		CCEDRM
N#Cc1cc(C(=O)N[C@H]2CCS(=O)(=O)C2)ccc1[O-]	ZINC001193511533	846101898	/nfs/dbraw/zinc/10/18/98/846101898.db2.gz	BXCNSDUKDYBOOY-JTQLQIEISA-N	-1	0	280.305	0.181	20	30		CCEDRM
N#Cc1cc(C(=O)NC(=N)c2ncc[nH]2)ccc1[O-]	ZINC001193514805	846103157	/nfs/dbraw/zinc/10/31/57/846103157.db2.gz	HLPWCHWGLAEXRT-UHFFFAOYSA-N	-1	0	255.237	0.742	20	30		CCEDRM
Cc1ccnc(C#N)c1[N-]S(=O)(=O)c1nccn1C	ZINC001193564988	846108063	/nfs/dbraw/zinc/10/80/63/846108063.db2.gz	LPZSMTGWGAZIJV-UHFFFAOYSA-N	-1	0	277.309	0.796	20	30		CCEDRM
N#Cc1cccc(C(=O)N2CCn3cnnc3C2)c1[O-]	ZINC001193634533	846131314	/nfs/dbraw/zinc/13/13/14/846131314.db2.gz	FCIBHQXXFWRNLN-UHFFFAOYSA-N	-1	0	269.264	0.511	20	30		CCEDRM
CN(C(=O)c1cccc(C#N)c1[O-])c1nccnc1N	ZINC001193642135	846133303	/nfs/dbraw/zinc/13/33/03/846133303.db2.gz	BBNHOQSQBKEIPJ-UHFFFAOYSA-N	-1	0	269.264	0.913	20	30		CCEDRM
Cn1ccnc1S(=O)(=O)[N-]c1cc(C#N)ccc1O	ZINC001193599628	846136639	/nfs/dbraw/zinc/13/66/39/846136639.db2.gz	CXHQPGCLKWYAAY-UHFFFAOYSA-N	-1	0	278.293	0.798	20	30		CCEDRM
COc1ccnc(C(=N)NC(=O)c2cccc(C#N)c2[O-])n1	ZINC001193658203	846139526	/nfs/dbraw/zinc/13/95/26/846139526.db2.gz	XWQWNXRGENQHQI-UHFFFAOYSA-N	-1	0	297.274	0.818	20	30		CCEDRM
CC(=O)N1CC(NC(=O)c2cccc(C#N)c2[O-])C1	ZINC001193660101	846139828	/nfs/dbraw/zinc/13/98/28/846139828.db2.gz	SYIZARPBBOHLKK-UHFFFAOYSA-N	-1	0	259.265	0.224	20	30		CCEDRM
N#Cc1cccc(C(=O)NC2(CO)CCOCC2)c1[O-]	ZINC001193657975	846140053	/nfs/dbraw/zinc/14/00/53/846140053.db2.gz	OHSDGRFLXAWSEH-UHFFFAOYSA-N	-1	0	276.292	0.535	20	30		CCEDRM
Cn1cnc(C#N)c1[N-]S(=O)(=O)c1ccccc1N	ZINC001193899882	846178964	/nfs/dbraw/zinc/17/89/64/846178964.db2.gz	CJJCDYFMKRIOTM-UHFFFAOYSA-N	-1	0	277.309	0.675	20	30		CCEDRM
C#CCCCC(=O)N1CCCN(Cc2n[nH]c(=O)[n-]2)CC1	ZINC001195674559	846595747	/nfs/dbraw/zinc/59/57/47/846595747.db2.gz	HCSPWXZLMOVHGE-UHFFFAOYSA-N	-1	0	291.355	0.348	20	30		CCEDRM
N#Cc1ccc(C(=O)n2c(N)csc2=N)c([O-])c1	ZINC001195733189	846604782	/nfs/dbraw/zinc/60/47/82/846604782.db2.gz	CYRWINCDGAGAHO-UHFFFAOYSA-N	-1	0	260.278	0.877	20	30		CCEDRM
CCC(CO)(CO)NC(=O)c1ccc(C#N)cc1[O-]	ZINC001195764326	846614078	/nfs/dbraw/zinc/61/40/78/846614078.db2.gz	JWQOCXRRHVJMMN-UHFFFAOYSA-N	-1	0	264.281	0.127	20	30		CCEDRM
CN1C[C@H](NC(=O)c2ccc(C#N)cc2[O-])CCC1=O	ZINC001195764163	846614149	/nfs/dbraw/zinc/61/41/49/846614149.db2.gz	HHBXFVURWITXFV-SNVBAGLBSA-N	-1	0	273.292	0.614	20	30		CCEDRM
C[C@H]1COCCN1CCNC(=O)c1ccc(C#N)cc1[O-]	ZINC001195767882	846616069	/nfs/dbraw/zinc/61/60/69/846616069.db2.gz	BDDYLSRETUYYOE-NSHDSACASA-N	-1	0	289.335	0.714	20	30		CCEDRM
N#Cc1ccc(C(=O)N2CC(=O)N(C3CC3)C(=O)C2)c([O-])c1	ZINC001195741189	846619032	/nfs/dbraw/zinc/61/90/32/846619032.db2.gz	QKTJUHZPSPLRGW-UHFFFAOYSA-N	-1	0	299.286	0.237	20	30		CCEDRM
N#Cc1ccc(C(=O)N2CCNC[C@H]2C#N)c([O-])c1	ZINC001195740347	846620081	/nfs/dbraw/zinc/62/00/81/846620081.db2.gz	DCONBBKEEYTIRC-SNVBAGLBSA-N	-1	0	256.265	0.201	20	30		CCEDRM
CCOC(=O)CS(=O)(=O)[N-]c1cc(C#N)cc(OC)c1	ZINC001195984835	846658946	/nfs/dbraw/zinc/65/89/46/846658946.db2.gz	XKWOWKXHKPSZTQ-UHFFFAOYSA-N	-1	0	298.320	0.872	20	30		CCEDRM
N#C[C@@H]1CNCCN1C(=O)c1cc(Cl)ncc1[O-]	ZINC001196388647	846741671	/nfs/dbraw/zinc/74/16/71/846741671.db2.gz	BGDNZIBHQYCMAT-SSDOTTSWSA-N	-1	0	266.688	0.378	20	30		CCEDRM
COC(=O)CCCCS(=O)(=O)[N-]c1cnc(C#N)cn1	ZINC001196912619	846818227	/nfs/dbraw/zinc/81/82/27/846818227.db2.gz	BZOAUMOVXGLGAC-UHFFFAOYSA-N	-1	0	298.324	0.433	20	30		CCEDRM
O=C([O-])c1ccccc1S(=O)(=O)NCCS	ZINC001198792942	847172730	/nfs/dbraw/zinc/17/27/30/847172730.db2.gz	XFMJVUBLTFSUEO-UHFFFAOYSA-N	-1	0	261.324	0.593	20	30		CCEDRM
N#Cc1cncc(C[N-]S(=O)(=O)C(F)(F)F)c1	ZINC001252391650	847933833	/nfs/dbraw/zinc/93/38/33/847933833.db2.gz	WFSLAJLZJUHCNQ-UHFFFAOYSA-N	-1	0	265.216	0.892	20	30		CCEDRM
C=CCC1(O)CCN(C(=O)N[C@H]2C[C@H](C(=O)[O-])C2)CC1	ZINC000717252545	848182812	/nfs/dbraw/zinc/18/28/12/848182812.db2.gz	ZNECTOXEFFNIMN-XYPYZODXSA-N	-1	0	282.340	0.962	20	30		CCEDRM
C=CCN1CC[C@H]1CNC(=O)c1c[n-]n2c1nccc2=O	ZINC001038777583	850013364	/nfs/dbraw/zinc/01/33/64/850013364.db2.gz	FERPWETZMNWEFO-JTQLQIEISA-N	-1	0	287.323	0.013	20	30		CCEDRM
C=CCC1(C(=O)[O-])CN(S(=O)(=O)c2cn(C)cn2)C1	ZINC000722897226	850167047	/nfs/dbraw/zinc/16/70/47/850167047.db2.gz	BGXWTTFYTXORSX-UHFFFAOYSA-N	-1	0	285.325	0.072	20	30		CCEDRM
C#CCN1[C@@H]2CC[C@H]1[C@H](NC(=O)c1[nH]nc(C)c1[O-])C2	ZINC001096962492	852473862	/nfs/dbraw/zinc/47/38/62/852473862.db2.gz	JAPSQSNFUBKAIH-MXWKQRLJSA-N	-1	0	274.324	0.392	20	30		CCEDRM
C#CC[C@@H](NC(=O)Cn1ccc(C(F)(F)F)n1)C(=O)[O-]	ZINC000149793133	853997770	/nfs/dbraw/zinc/99/77/70/853997770.db2.gz	IWFLRFPKDUWZHJ-SSDOTTSWSA-N	-1	0	289.213	0.495	20	30		CCEDRM
C#CC[C@@H](NC(=O)[C@@H]1CC(=O)N(CC(C)C)C1)C(=O)[O-]	ZINC000149977103	854011392	/nfs/dbraw/zinc/01/13/92/854011392.db2.gz	NSSMSKXCKUUTKV-GHMZBOCLSA-N	-1	0	280.324	0.084	20	30		CCEDRM
C=CCNC(=O)CNC(=O)C1CCC(C(=O)[O-])CC1	ZINC000393842743	854135096	/nfs/dbraw/zinc/13/50/96/854135096.db2.gz	VUPQCUFROAIGJP-UHFFFAOYSA-N	-1	0	268.313	0.296	20	30		CCEDRM
Cc1c(C(=O)Nc2nc(C#N)c(C#N)[n-]2)cnn1C	ZINC001115893609	855702500	/nfs/dbraw/zinc/70/25/00/855702500.db2.gz	JFPMZUUQPMMZHN-UHFFFAOYSA-N	-1	0	255.241	0.447	20	30		CCEDRM
C=CC[C@@H](NC(=O)c1cnn2ccc(C)nc12)C(=O)[O-]	ZINC001116922554	855868083	/nfs/dbraw/zinc/86/80/83/855868083.db2.gz	UUKGTJYZYHUNNR-SNVBAGLBSA-N	-1	0	274.280	0.797	20	30		CCEDRM
C=CCC1(S(=O)(=O)[N-]C(=O)CCc2nnc[nH]2)CC1	ZINC001117641333	856033584	/nfs/dbraw/zinc/03/35/84/856033584.db2.gz	SSOVYCDZJVKGGU-UHFFFAOYSA-N	-1	0	284.341	0.292	20	30		CCEDRM
C=CC[C@@H](NC(=O)Cc1nc(C2CC2)nn1C)C(=O)[O-]	ZINC001118284947	856244008	/nfs/dbraw/zinc/24/40/08/856244008.db2.gz	RKYGECYLXZFJFJ-SECBINFHSA-N	-1	0	278.312	0.381	20	30		CCEDRM
C=CCO[C@@H]1CCN(C(=O)[C@@H]2CC[C@H](C(=O)[O-])O2)C1	ZINC001119008310	856527933	/nfs/dbraw/zinc/52/79/33/856527933.db2.gz	NYEODNHNGLJDFH-OUAUKWLOSA-N	-1	0	269.297	0.422	20	30		CCEDRM
C=C(C)C[C@@H](NCc1cc(C(=O)[O-])nn1C)C(=O)OC	ZINC001119036658	856536786	/nfs/dbraw/zinc/53/67/86/856536786.db2.gz	RUTZCZRGCFXQHJ-LLVKDONJSA-N	-1	0	281.312	0.716	20	30		CCEDRM
C=CCN(CCOC)C(=O)N[C@H]1C[C@H](C(=O)[O-])C1	ZINC000693031446	891484296	/nfs/dbraw/zinc/48/42/96/891484296.db2.gz	YKWCJZJVDJUYNJ-MGCOHNPYSA-N	-1	0	256.302	0.694	20	30		CCEDRM
C=CCOCCN1CC(NC(=O)c2[nH]nc(C)c2[O-])C1	ZINC001481554249	892825630	/nfs/dbraw/zinc/82/56/30/892825630.db2.gz	OSSRTNGIHNMWGX-UHFFFAOYSA-N	-1	0	280.328	0.040	20	30		CCEDRM
CC(=NNc1[n-]cnc2ncnc1-2)c1ccc(=O)[nH]n1	ZINC001326247562	913845622	/nfs/dbraw/zinc/84/56/22/913845622.db2.gz	CTXHRKKMIIXAEW-UHFFFAOYSA-N	-1	0	270.256	0.685	20	30		CCEDRM
C#CCCCC(=O)[N-]S(=O)(=O)c1ccc(C)nc1	ZINC001326343622	913900810	/nfs/dbraw/zinc/90/08/10/913900810.db2.gz	RYKWCJDRPGPLJX-UHFFFAOYSA-N	-1	0	266.322	0.998	20	30		CCEDRM
CC(C)CCNC(=O)CCn1cc(C#N)c(=O)[n-]c1=O	ZINC001411608646	901153999	/nfs/dbraw/zinc/15/39/99/901153999.db2.gz	IMPGMCSCCMUQDZ-UHFFFAOYSA-N	-1	0	278.312	0.373	20	30		CCEDRM
CC1(C)CC[C@@H](NC(=O)Cn2cc(C#N)c(=O)[n-]c2=O)C1	ZINC001411937634	901342965	/nfs/dbraw/zinc/34/29/65/901342965.db2.gz	QMZHSIDZMPAIQW-SNVBAGLBSA-N	-1	0	290.323	0.515	20	30		CCEDRM
Cc1cc(C#N)c(=O)[n-]c1C(=O)N1CC(O)(C2CC2)C1	ZINC001412025830	901408952	/nfs/dbraw/zinc/40/89/52/901408952.db2.gz	BDXVDXAYGZJSLU-UHFFFAOYSA-N	-1	0	273.292	0.564	20	30		CCEDRM
Cc1cccc(NC(=O)CCn2cc(C#N)c(=O)[n-]c2=O)n1	ZINC001412416165	901701445	/nfs/dbraw/zinc/70/14/45/901701445.db2.gz	FUPVGDDORMRGDF-UHFFFAOYSA-N	-1	0	299.290	0.553	20	30		CCEDRM
N#CCc1ccc(C(=O)N2CCOC[C@H]2c2nnn[n-]2)cc1	ZINC001412435191	901720266	/nfs/dbraw/zinc/72/02/66/901720266.db2.gz	ZCAAYWPHBGHDRJ-LBPRGKRZSA-N	-1	0	298.306	0.479	20	30		CCEDRM
CC[C@H](C)[C@@H](C)NC(=O)CCn1cc(C#N)c(=O)[n-]c1=O	ZINC001412577014	901838856	/nfs/dbraw/zinc/83/88/56/901838856.db2.gz	NYUVSWJHRCYCPE-VHSXEESVSA-N	-1	0	292.339	0.761	20	30		CCEDRM
Cc1cc(C#N)c(=O)[n-]c1C(=O)N(C)[C@@H](C)C[S@](C)=O	ZINC001412753192	902038063	/nfs/dbraw/zinc/03/80/63/902038063.db2.gz	UWIKMOIVUJILOF-LXGOIASLSA-N	-1	0	295.364	0.806	20	30		CCEDRM
Cn1c(=O)[n-]c(Nc2cnn3c2CCCC3)c(C#N)c1=O	ZINC001412891607	902333207	/nfs/dbraw/zinc/33/32/07/902333207.db2.gz	HWTSAXPRARFZAF-UHFFFAOYSA-N	-1	0	286.295	0.222	20	30		CCEDRM
Cc1occc1C(=O)NCCn1cc(C#N)c(=O)[n-]c1=O	ZINC001413307123	902858384	/nfs/dbraw/zinc/85/83/84/902858384.db2.gz	GZDNSOKBCFCPHW-UHFFFAOYSA-N	-1	0	288.263	0.152	20	30		CCEDRM
C=CC[C@@H](NC(=O)NOC[C@@H]1CCOC1)C(=O)[O-]	ZINC001332165059	904066744	/nfs/dbraw/zinc/06/67/44/904066744.db2.gz	RTTQIGLYTDJBHQ-RKDXNWHRSA-N	-1	0	258.274	0.283	20	30		CCEDRM
O=C(NCC#C[C@@H]1CCCCO1)c1c[n-]ncc1=O	ZINC001337460701	921254433	/nfs/dbraw/zinc/25/44/33/921254433.db2.gz	ZTYFEMNXTBYFEF-JTQLQIEISA-N	-1	0	261.281	0.485	20	30		CCEDRM
C#CC1(O)CCN(C(=O)c2cc([O-])cc([N+](=O)[O-])c2)CC1	ZINC001301219917	907958936	/nfs/dbraw/zinc/95/89/36/907958936.db2.gz	RVUBUBLJBBYJEL-UHFFFAOYSA-N	-1	0	290.275	0.901	20	30		CCEDRM
CO[N-]C(=O)CNC(=O)/C=C\C(=O)c1ccc(C)cc1	ZINC001304258574	908160383	/nfs/dbraw/zinc/16/03/83/908160383.db2.gz	KVJTYDJFDIKQPL-FPLPWBNLSA-N	-1	0	276.292	0.528	20	30		CCEDRM
C=C[C@](C)(CC)C(=O)NCC=CCNCc1n[nH]c(=O)[n-]1	ZINC001321229912	911175273	/nfs/dbraw/zinc/17/52/73/911175273.db2.gz	APAXRKISCDYUJP-PSKZRQQASA-N	-1	0	293.371	0.875	20	30		CCEDRM
C[C@@H](C(=O)[O-])C1CN(S(=O)(=O)CCCCC#N)C1	ZINC001321228812	911178002	/nfs/dbraw/zinc/17/80/02/911178002.db2.gz	NLJCOTFSMZBZOF-SECBINFHSA-N	-1	0	274.342	0.663	20	30		CCEDRM
C=CC[C@@H](NC(=O)C1(S(C)(=O)=O)CCCC1)C(=O)[O-]	ZINC001321338893	911241061	/nfs/dbraw/zinc/24/10/61/911241061.db2.gz	KFQZZYZVNCCACC-SECBINFHSA-N	-1	0	289.353	0.489	20	30		CCEDRM
C=C(C)CO[N-]C(=O)C(=O)Nc1cc(C)nn1CCC#N	ZINC001328725424	915389586	/nfs/dbraw/zinc/38/95/86/915389586.db2.gz	CETNKLSIZNIXOW-UHFFFAOYSA-N	-1	0	291.311	0.668	20	30		CCEDRM
CCSCC[C@H](C)N(C)c1[n-]c(=O)n(C)c(=O)c1C#N	ZINC001339609072	921776323	/nfs/dbraw/zinc/77/63/23/921776323.db2.gz	FWDJDXTYZSFPTB-VIFPVBQESA-N	-1	0	296.396	0.913	20	30		CCEDRM
CC#CCS(=O)(=O)[N-]C(=O)C1(C(C)(F)F)CC1	ZINC001330509393	916669432	/nfs/dbraw/zinc/66/94/32/916669432.db2.gz	AAWILRIRFUKXIN-UHFFFAOYSA-N	-1	0	265.281	0.891	20	30		CCEDRM
C=CC[C@@H](C)OC(=O)CNS(=O)(=O)CCOCC	ZINC001331541877	917403516	/nfs/dbraw/zinc/40/35/16/917403516.db2.gz	JFOJCPPRBKMDQG-SNVBAGLBSA-N	-1	0	279.358	0.450	20	30		CCEDRM
C=CC(C)(C)CCCNC(=O)C(=O)NC[C@H](C)C(=O)[O-]	ZINC001332166532	917927162	/nfs/dbraw/zinc/92/71/62/917927162.db2.gz	JZEWCQJADBGZEP-JTQLQIEISA-N	-1	0	284.356	0.932	20	30		CCEDRM
C#CCOc1ccccc1C[NH2+][C@H](COC)C(=O)[O-]	ZINC001332473996	918189139	/nfs/dbraw/zinc/18/91/39/918189139.db2.gz	VVNLIVJIHWYPFP-GFCCVEGCSA-N	-1	0	263.293	0.888	20	30		CCEDRM
C=CC[C@@H](NC(=O)c1cnn(C)c1CC)C(=O)[O-]	ZINC001332590289	918294206	/nfs/dbraw/zinc/29/42/06/918294206.db2.gz	CRHUBMXZCMSSON-SECBINFHSA-N	-1	0	251.286	0.742	20	30		CCEDRM
C=CC[C@@H]1CCCN(c2nnc(-c3cc(=O)[nH][n-]3)n2C)C1	ZINC001339749383	921816036	/nfs/dbraw/zinc/81/60/36/921816036.db2.gz	VZSVZMGKYBYDGU-SNVBAGLBSA-N	-1	0	288.355	0.832	20	30		CCEDRM
CC1(C)OC[C@@H]2C[C@@]21C(=O)Nc1nc(C#N)c(C#N)[n-]1	ZINC001418240259	921952973	/nfs/dbraw/zinc/95/29/73/921952973.db2.gz	ZXGMHSDGNLNYGC-CPFSXVBKSA-N	-1	0	271.280	0.907	20	30		CCEDRM
CC(C)C(C)(C)NC(=O)CCn1cc(C#N)c(=O)[n-]c1=O	ZINC001418368273	922059088	/nfs/dbraw/zinc/05/90/88/922059088.db2.gz	SBBSUIBEMWAWMA-UHFFFAOYSA-N	-1	0	292.339	0.761	20	30		CCEDRM
C=CCn1c(-c2cc(=O)[nH][n-]2)nnc1N1CC[C@H]2C[C@H]2C1	ZINC001340427633	922083194	/nfs/dbraw/zinc/08/31/94/922083194.db2.gz	AJMADNGMOTUPRN-UWVGGRQHSA-N	-1	0	286.339	0.534	20	30		CCEDRM
C=CCn1c(-c2cc(=O)[nH][n-]2)nnc1N(C)CCOCC	ZINC001340560176	922123874	/nfs/dbraw/zinc/12/38/74/922123874.db2.gz	DGOLVDCEUZUIOE-UHFFFAOYSA-N	-1	0	292.343	0.161	20	30		CCEDRM
N#Cc1cn(CCNC(=O)[C@H]2CC23CCC3)c(=O)[n-]c1=O	ZINC001418536592	922237439	/nfs/dbraw/zinc/23/74/39/922237439.db2.gz	ONFLEOCRQXHAPS-SNVBAGLBSA-N	-1	0	288.307	0.127	20	30		CCEDRM
CNC(=O)C(C#N)=C([O-])c1cc(C(F)(F)F)nn1C	ZINC001342088678	922800421	/nfs/dbraw/zinc/80/04/21/922800421.db2.gz	OJFOVLQNRULJTG-RXMQYKEDSA-N	-1	0	274.202	0.507	20	30		CCEDRM
N#Cc1cnn(C(=O)C(=O)c2ccc([O-])cc2)c1N	ZINC001342252149	922877878	/nfs/dbraw/zinc/87/78/78/922877878.db2.gz	AHRYDWAOGWAFOY-UHFFFAOYSA-N	-1	0	256.221	0.566	20	30		CCEDRM
N#CC(C(=O)N1CCCC1)=C([O-])c1c[nH]c(C(N)=O)c1	ZINC001342522123	922989177	/nfs/dbraw/zinc/98/91/77/922989177.db2.gz	TXRAQIFJMYDRNP-VIFPVBQESA-N	-1	0	274.280	0.058	20	30		CCEDRM
C=C(C)Cn1c(-c2nn[nH]n2)nnc1N1CCSCC1	ZINC001342533513	922994087	/nfs/dbraw/zinc/99/40/87/922994087.db2.gz	SZBOXLCAIJDAOT-UHFFFAOYSA-N	-1	0	292.372	0.588	20	30		CCEDRM
Cn1ccnc1C([O-])=C(C#N)C(=O)COCc1cccnc1	ZINC001342610176	923025112	/nfs/dbraw/zinc/02/51/12/923025112.db2.gz	ITUSMZRPUMIKAZ-GFCCVEGCSA-N	-1	0	298.302	0.923	20	30		CCEDRM
COc1c(C([O-])=C(C#N)C(=O)NC2CCCC2)cnn1C	ZINC001342777543	923084997	/nfs/dbraw/zinc/08/49/97/923084997.db2.gz	CCSFTGSPVQIZFO-SNVBAGLBSA-N	-1	0	290.323	0.810	20	30		CCEDRM
Cc1cnn(C)c1C([O-])=C(C#N)C(=O)c1nccn1C	ZINC001342894691	923123084	/nfs/dbraw/zinc/12/30/84/923123084.db2.gz	KIWOJNPDXWJLJB-VIFPVBQESA-N	-1	0	271.280	0.667	20	30		CCEDRM
C=CC[C@@H](NC(=O)CNC(=O)NCc1ccco1)C(=O)[O-]	ZINC001344558397	923637619	/nfs/dbraw/zinc/63/76/19/923637619.db2.gz	ZLDHOEOXKZLWSJ-SNVBAGLBSA-N	-1	0	295.295	0.224	20	30		CCEDRM
Cn1c(=O)[n-]c(NC[C@@H](O)c2ccccc2)c(C#N)c1=O	ZINC001421040723	924109404	/nfs/dbraw/zinc/10/94/04/924109404.db2.gz	RLZHXQJMFHKBJI-LLVKDONJSA-N	-1	0	286.291	0.091	20	30		CCEDRM
Cc1nn(C)cc1C([O-])=C(C#N)C(=O)c1nccn1C	ZINC001347107903	924374938	/nfs/dbraw/zinc/37/49/38/924374938.db2.gz	PBNXFUIOUCDRQY-SECBINFHSA-N	-1	0	271.280	0.667	20	30		CCEDRM
C[C@H]1CN(c2[n-]c(=O)n(C)c(=O)c2C#N)CC[C@@H]1C	ZINC001348063532	924589394	/nfs/dbraw/zinc/58/93/94/924589394.db2.gz	QUZPOCOLCAGLMI-IUCAKERBSA-N	-1	0	262.313	0.428	20	30		CCEDRM
C=C[C@@H]1OCC[C@H]1C(=O)N1CCC[C@H](Cc2nnn[n-]2)C1	ZINC001348166152	924608868	/nfs/dbraw/zinc/60/88/68/924608868.db2.gz	OXVNIZYTMRSCJR-UTUOFQBUSA-N	-1	0	291.355	0.572	20	30		CCEDRM
CCC[C@@H]1CCCN1c1[n-]c(=O)n(C)c(=O)c1C#N	ZINC001348347908	924661283	/nfs/dbraw/zinc/66/12/83/924661283.db2.gz	RJRFTONWDVIZGN-SECBINFHSA-N	-1	0	262.313	0.714	20	30		CCEDRM
N#CCCCCC(=O)[N-]S(=O)(=O)C[C@H]1CCOC1	ZINC001349801522	925062444	/nfs/dbraw/zinc/06/24/44/925062444.db2.gz	UHASSZCRVSVYEX-JTQLQIEISA-N	-1	0	274.342	0.553	20	30		CCEDRM
C=C[C@@H]1OCC[C@H]1CNC(=O)[C@H]1C[C@@H](C(=O)[O-])C1	ZINC001349931689	925099124	/nfs/dbraw/zinc/09/91/24/925099124.db2.gz	JUXBHAKWIHMJEB-MMWGEVLESA-N	-1	0	253.298	0.805	20	30		CCEDRM
C=CC[C@H](NC(=O)NCCOC[C@H]1CCCO1)C(=O)[O-]	ZINC001350758528	925271525	/nfs/dbraw/zinc/27/15/25/925271525.db2.gz	HTZBKNYRGQQDPN-MNOVXSKESA-N	-1	0	286.328	0.511	20	30		CCEDRM
CCCCCCNc1[n-]c(=O)n(C)c(=O)c1C#N	ZINC001354053804	925997908	/nfs/dbraw/zinc/99/79/08/925997908.db2.gz	ZYPDREIOWPDHOL-UHFFFAOYSA-N	-1	0	250.302	0.937	20	30		CCEDRM
C#CCCCC(=O)N1CCN([C@@]2(C(=O)[O-])CCOC2)CC1	ZINC001354057533	925999606	/nfs/dbraw/zinc/99/96/06/925999606.db2.gz	JZGNFGVCRSAPPQ-HNNXBMFYSA-N	-1	0	294.351	0.178	20	30		CCEDRM
Cn1cnc(C([O-])=C(C#N)C(=O)NC2CCCC2)n1	ZINC001356089327	926341348	/nfs/dbraw/zinc/34/13/48/926341348.db2.gz	ZRPQHTGXUSETPT-VIFPVBQESA-N	-1	0	261.285	0.196	20	30		CCEDRM
C#CC[C@H]1CCN(C(=O)NCCOCCOCC(=O)[O-])C1	ZINC001357185520	926493427	/nfs/dbraw/zinc/49/34/27/926493427.db2.gz	XIWQGWHUNDHXFG-LBPRGKRZSA-N	-1	0	298.339	0.159	20	30		CCEDRM
C=CC[C@@H](NC(=O)CCNC(=O)c1ccco1)C(=O)[O-]	ZINC000150190311	926947616	/nfs/dbraw/zinc/94/76/16/926947616.db2.gz	JAVYSAICKRVEIN-SECBINFHSA-N	-1	0	280.280	0.545	20	30		CCEDRM
Cc1cc(C#N)c(=O)[n-]c1C(=O)N1CCO[C@H](C#N)C1	ZINC001361915878	927445336	/nfs/dbraw/zinc/44/53/36/927445336.db2.gz	VOPOQOVGPQVBGI-SNVBAGLBSA-N	-1	0	272.264	0.332	20	30		CCEDRM
COCC[C@](C)(O)CNC(=O)c1[n-]c(=O)c(C#N)cc1C	ZINC001362013622	927520458	/nfs/dbraw/zinc/52/04/58/927520458.db2.gz	MTBVPDCOLNVBPW-AWEZNQCLSA-N	-1	0	293.323	0.485	20	30		CCEDRM
CCNC(=O)[C@H](C)NC(=O)c1[n-]c(=O)c(C#N)cc1C	ZINC001362049852	927555644	/nfs/dbraw/zinc/55/56/44/927555644.db2.gz	PJEXCNOJQSXCJU-QMMMGPOBSA-N	-1	0	276.296	0.222	20	30		CCEDRM
N#CCCN(CC1CC1)C(=O)CCCn1c(=O)[n-][nH]c1=O	ZINC001362101183	927614712	/nfs/dbraw/zinc/61/47/12/927614712.db2.gz	SBACZJJHNAPGRL-UHFFFAOYSA-N	-1	0	293.327	0.622	20	30		CCEDRM
CSCC[C@H](C)NC(=O)Cn1cc(C#N)c(=O)[n-]c1=O	ZINC001362230635	927754655	/nfs/dbraw/zinc/75/46/55/927754655.db2.gz	SGFGCRVPKGWUQK-QMMMGPOBSA-N	-1	0	296.352	0.078	20	30		CCEDRM
Cc1cc(C#N)c(=O)[n-]c1C(=O)N1CC[C@H](n2cncn2)C1	ZINC001362390160	927957382	/nfs/dbraw/zinc/95/73/82/927957382.db2.gz	DTMAFGQRFLCKTB-NSHDSACASA-N	-1	0	298.306	0.646	20	30		CCEDRM
Cc1cc(C#N)c(=O)[n-]c1C(=O)NC[C@]1(O)CCO[C@@H]1C	ZINC001362455364	928039946	/nfs/dbraw/zinc/03/99/46/928039946.db2.gz	WEZTUMRLMNVNTN-YMTOWFKASA-N	-1	0	291.307	0.237	20	30		CCEDRM
Cc1cc(C#N)c(=O)[n-]c1C(=O)NC[C@]1(O)CCO[C@H]1C	ZINC001362455354	928041026	/nfs/dbraw/zinc/04/10/26/928041026.db2.gz	WEZTUMRLMNVNTN-LKFCYVNXSA-N	-1	0	291.307	0.237	20	30		CCEDRM
CCN1CCN(C(=O)c2[n-]c(=O)c(C#N)cc2C)CC1=O	ZINC001362458778	928044005	/nfs/dbraw/zinc/04/40/05/928044005.db2.gz	OVFLKMUFDJDZIQ-UHFFFAOYSA-N	-1	0	288.307	0.272	20	30		CCEDRM
C[C@@H](CN(C)C(=O)[C@]1(C#N)CCCOC1)c1nnn[n-]1	ZINC001362487047	928085284	/nfs/dbraw/zinc/08/52/84/928085284.db2.gz	CFONCXHQNVOAHZ-CABZTGNLSA-N	-1	0	278.316	0.082	20	30		CCEDRM
Cc1cc(C#N)c(=O)[n-]c1C(=O)N1C[C@@H]2C[C@]2(CO)C1	ZINC001362519947	928127972	/nfs/dbraw/zinc/12/79/72/928127972.db2.gz	KSAWJVJYZOSQND-IINYFYTJSA-N	-1	0	273.292	0.422	20	30		CCEDRM
Cc1cc(C#N)c(=O)[n-]c1C(=O)N1CC[C@@H](CO)[C@H]1C	ZINC001362585753	928212618	/nfs/dbraw/zinc/21/26/18/928212618.db2.gz	UOWRKPRVIKLLSE-ZJUUUORDSA-N	-1	0	275.308	0.810	20	30		CCEDRM
Cc1cc(C#N)c(=O)[n-]c1C(=O)NC(C)(C)c1cn[nH]n1	ZINC001362830473	928545415	/nfs/dbraw/zinc/54/54/15/928545415.db2.gz	KGDCHNLZTROJIT-UHFFFAOYSA-N	-1	0	286.295	0.751	20	30		CCEDRM
Cc1ccccc1N(C)C(=O)Cn1cc(C#N)c(=O)[n-]c1=O	ZINC001363131138	928901916	/nfs/dbraw/zinc/90/19/16/928901916.db2.gz	RPJLHQHZZSZFED-UHFFFAOYSA-N	-1	0	298.302	0.792	20	30		CCEDRM
CC(C)[C@H](NC(=O)Cn1cc(C#N)c(=O)[n-]c1=O)C1CC1	ZINC001363287505	929077738	/nfs/dbraw/zinc/07/77/38/929077738.db2.gz	NMQPYOAGBZJNSZ-LBPRGKRZSA-N	-1	0	290.323	0.371	20	30		CCEDRM
Cc1cc(C#N)c(=O)[n-]c1C(=O)N1CC[C@H](O)C1(C)C	ZINC001363346563	929136403	/nfs/dbraw/zinc/13/64/03/929136403.db2.gz	NPHXCVQAWFIRLQ-JTQLQIEISA-N	-1	0	275.308	0.953	20	30		CCEDRM
N#Cc1ccc(C(=O)N2CCC[C@@H](Cc3nnn[n-]3)C2)[nH]1	ZINC001363432961	929225255	/nfs/dbraw/zinc/22/52/55/929225255.db2.gz	JIDADSQSDGUGRF-VIFPVBQESA-N	-1	0	285.311	0.494	20	30		CCEDRM
N#Cc1ccc(C(=O)N2CCC[C@@H](Cc3nnn[n-]3)C2)o1	ZINC001363437205	929230851	/nfs/dbraw/zinc/23/08/51/929230851.db2.gz	UCAAEXSTZUMWGZ-VIFPVBQESA-N	-1	0	286.295	0.759	20	30		CCEDRM
N#Cc1ccc(C(=O)N2CCC[C@@H](Cc3nnn[n-]3)C2)nc1	ZINC001363437809	929231635	/nfs/dbraw/zinc/23/16/35/929231635.db2.gz	WMBWKSJARHVZSE-JTQLQIEISA-N	-1	0	297.322	0.561	20	30		CCEDRM
C[C@H](NC(=O)Cn1c(=O)[n-][nH]c1=O)c1cccc(C#N)c1	ZINC001363493587	929300410	/nfs/dbraw/zinc/30/04/10/929300410.db2.gz	HOINJBOBQLPCDQ-QMMMGPOBSA-N	-1	0	287.279	0.438	20	30		CCEDRM
COc1cc(CO)ccc1C(=O)Nc1nc(C#N)c(C#N)[n-]1	ZINC001363645611	929449463	/nfs/dbraw/zinc/44/94/63/929449463.db2.gz	SCUWASBZKWUNQA-UHFFFAOYSA-N	-1	0	297.274	0.906	20	30		CCEDRM
Cc1cc(C#N)c(=O)[n-]c1C(=O)N1C[C@H](CO)OC[C@@H]1C	ZINC001446085371	930329330	/nfs/dbraw/zinc/32/93/30/930329330.db2.gz	LFLDIVIJTXWNSI-GXSJLCMTSA-N	-1	0	291.307	0.189	20	30		CCEDRM
Cc1cc(C#N)c(=O)[n-]c1C(=O)N1CC[C@H]([C@@H](C)O)C1	ZINC001446730601	930468216	/nfs/dbraw/zinc/46/82/16/930468216.db2.gz	ALUPKWISOBBCRV-ZJUUUORDSA-N	-1	0	275.308	0.810	20	30		CCEDRM
Cc1cc(C#N)c(=O)[n-]c1C(=O)N1CC(=O)N(C)C[C@@H]1C	ZINC001447864892	930738300	/nfs/dbraw/zinc/73/83/00/930738300.db2.gz	MKKQXHMQAFEGCI-VIFPVBQESA-N	-1	0	288.307	0.270	20	30		CCEDRM
N#CC1(C(=O)NCCc2nc(=O)o[n-]2)CCSCC1	ZINC001448630930	930930829	/nfs/dbraw/zinc/93/08/29/930930829.db2.gz	RAEIRULMIZTUMM-UHFFFAOYSA-N	-1	0	282.325	0.059	20	30		CCEDRM
C=CCO[N-]C(=O)[C@@H](NC(=O)C1CCCC1)[C@H](C)O	ZINC001449651032	931173457	/nfs/dbraw/zinc/17/34/57/931173457.db2.gz	BZMPPHVPVVZHIN-ONGXEEELSA-N	-1	0	270.329	0.276	20	30		CCEDRM
CN(CC(C)(C)C#N)C(=O)[C@](C)(C#N)CC(=O)[O-]	ZINC001610916157	970785777	/nfs/dbraw/zinc/78/57/77/970785777.db2.gz	IQRCQXFJESJDPY-LBPRGKRZSA-N	-1	0	251.286	0.999	20	30		CCEDRM
Cc1nsc(N2CCN([C@@H](C)C(=O)[O-])CC2)c1C#N	ZINC001600819219	970871492	/nfs/dbraw/zinc/87/14/92/970871492.db2.gz	CBLXELKLIISESQ-VIFPVBQESA-N	-1	0	280.353	0.918	20	30		CCEDRM
Cc1cc(C#N)cc(NC(=O)C(=O)N[C@@H](C)C(=O)[O-])c1	ZINC001611125437	970901799	/nfs/dbraw/zinc/90/17/99/970901799.db2.gz	MPNOVJKOLNNUNR-QMMMGPOBSA-N	-1	0	275.264	0.395	20	30		CCEDRM
N#Cc1c(F)cccc1C(=O)N1CCO[C@H](C(=O)[O-])C1	ZINC001601082561	970928195	/nfs/dbraw/zinc/92/81/95/970928195.db2.gz	MWDWGGHFFBMKAR-NSHDSACASA-N	-1	0	278.239	0.623	20	30		CCEDRM
N#Cc1ccc(NCC(=O)N2CCC[C@@H]2C(=O)[O-])nc1	ZINC001611299637	970982612	/nfs/dbraw/zinc/98/26/12/970982612.db2.gz	LDQGLTXZQAUWLN-SNVBAGLBSA-N	-1	0	274.280	0.441	20	30		CCEDRM
O=C([O-])C1=NO[C@@H](C(=O)NCC#Cc2ccccc2)C1	ZINC001611362002	971010586	/nfs/dbraw/zinc/01/05/86/971010586.db2.gz	LWOLUYFLUMEFJY-GFCCVEGCSA-N	-1	0	272.260	0.384	20	30		CCEDRM
C#CCCCCC(=O)O[C@@H]1CCN(CC(=O)[O-])C1=O	ZINC001602675598	971250955	/nfs/dbraw/zinc/25/09/55/971250955.db2.gz	BZFWZTPALUYIQL-SNVBAGLBSA-N	-1	0	267.281	0.409	20	30		CCEDRM
C#CC[C@@H]1NC(=O)N(C[C@@H](C(=O)[O-])C(C)C)C1=O	ZINC001602675284	971247704	/nfs/dbraw/zinc/24/77/04/971247704.db2.gz	OSUGXJGIAIPNAR-BDAKNGLRSA-N	-1	0	252.270	0.287	20	30		CCEDRM
C#CCN(CC(=O)[O-])C(=O)N[C@@H]1CCO[C@@H](C2CC2)C1	ZINC001602684142	971278626	/nfs/dbraw/zinc/27/86/26/971278626.db2.gz	RIHJPGKHRMIZFI-VXGBXAGGSA-N	-1	0	280.324	0.673	20	30		CCEDRM
C#CCN(CC(=O)[O-])C(=O)NCC(C)(C)C[C@H](C)O	ZINC001602683602	971274207	/nfs/dbraw/zinc/27/42/07/971274207.db2.gz	HCOMUPLUCSESPN-JTQLQIEISA-N	-1	0	270.329	0.513	20	30		CCEDRM
C#CCN(CC(=O)[O-])C(=O)NCCC1(O)CCC1	ZINC001602686128	971285427	/nfs/dbraw/zinc/28/54/27/971285427.db2.gz	RMHHNTLVGIZYJZ-UHFFFAOYSA-N	-1	0	254.286	0.021	20	30		CCEDRM
C#CCN(CC(=O)[O-])C(=O)Nc1ccc(F)c(C(N)=O)c1	ZINC001602688191	971288224	/nfs/dbraw/zinc/28/82/24/971288224.db2.gz	FTWRJCAWXHFFKY-UHFFFAOYSA-N	-1	0	293.254	0.476	20	30		CCEDRM
C#CCN(CC(=O)[O-])C(=O)Nc1cc(C)n(CCC#N)n1	ZINC001602688562	971291778	/nfs/dbraw/zinc/29/17/78/971291778.db2.gz	PWEPSXAVIYXNFD-UHFFFAOYSA-N	-1	0	289.295	0.657	20	30		CCEDRM
C#CCN(CC(=O)[O-])C(=O)c1cc(C(F)(F)F)n(C)n1	ZINC001602691181	971293156	/nfs/dbraw/zinc/29/31/56/971293156.db2.gz	ARLXGQLNXCCODW-UHFFFAOYSA-N	-1	0	289.213	0.599	20	30		CCEDRM
C=C(C)COCCNc1cnc(C#N)c(-c2nnn[n-]2)n1	ZINC001573293905	946971486	/nfs/dbraw/zinc/97/14/86/946971486.db2.gz	NSFRFWIUWXMDQM-UHFFFAOYSA-N	-1	0	286.299	0.533	20	30		CCEDRM
C#CCN(CC(=O)[O-])c1nnc(C(C)(F)F)n1CC	ZINC001602699489	971317890	/nfs/dbraw/zinc/31/78/90/971317890.db2.gz	WAOSWHALYPVURK-UHFFFAOYSA-N	-1	0	272.255	0.934	20	30		CCEDRM
C#CCN(CC(=O)[O-])c1nnc([C@H](O)C=C)n1CC(=C)C	ZINC001602700844	971322634	/nfs/dbraw/zinc/32/26/34/971322634.db2.gz	LQHPBMZNEQDINH-LLVKDONJSA-N	-1	0	290.323	0.598	20	30		CCEDRM
C#CCSCC(=O)N1CC[C@@H](C)[C@H](C(=O)[O-])C1	ZINC001602704763	971337560	/nfs/dbraw/zinc/33/75/60/971337560.db2.gz	RWAYDFWDVABACA-NXEZZACHSA-N	-1	0	255.339	0.922	20	30		CCEDRM
C#CCSCC(=O)N1CC[C@@H](C)[C@@H](C(=O)[O-])C1	ZINC001602704766	971337609	/nfs/dbraw/zinc/33/76/09/971337609.db2.gz	RWAYDFWDVABACA-ZJUUUORDSA-N	-1	0	255.339	0.922	20	30		CCEDRM
C#Cc1cccc(NC(=O)CN(C)C(=O)[C@H](C)C(=O)[O-])c1	ZINC001602707220	971342821	/nfs/dbraw/zinc/34/28/21/971342821.db2.gz	MLKXCMBWWBJUCH-JTQLQIEISA-N	-1	0	288.303	0.786	20	30		CCEDRM
C=C(C)CNC(=S)NCC1(C(=O)[O-])CCOCC1	ZINC001602709507	971346768	/nfs/dbraw/zinc/34/67/68/971346768.db2.gz	DTZPVBIPOZDVMN-UHFFFAOYSA-N	-1	0	272.370	0.908	20	30		CCEDRM
C=C[C@H](COC)NC(=O)C(=O)N1CCC[C@@H](CC(=O)[O-])C1	ZINC001602717308	971366180	/nfs/dbraw/zinc/36/61/80/971366180.db2.gz	IARXXALIKDRSAZ-WDEREUQCSA-N	-1	0	298.339	0.017	20	30		CCEDRM
C=C[C@@H](C)ONC(=O)N1CC[C@@](COC)(C(=O)[O-])C1	ZINC001602717441	971367266	/nfs/dbraw/zinc/36/72/66/971367266.db2.gz	MPZKPEFOPQRBIW-BXKDBHETSA-N	-1	0	272.301	0.625	20	30		CCEDRM
C=C[C@@H](COC)NC(=O)C(=O)Nc1cncc(C(=O)[O-])c1	ZINC001602717666	971370167	/nfs/dbraw/zinc/37/01/67/971370167.db2.gz	XNEARLTUMONFDI-VIFPVBQESA-N	-1	0	293.279	0.036	20	30		CCEDRM
C=CCCC(=O)[C@@H]1CCCN1C(=O)COCC(=O)[O-]	ZINC001602718910	971378468	/nfs/dbraw/zinc/37/84/68/971378468.db2.gz	FTNJRCFOIUXTLU-JTQLQIEISA-N	-1	0	269.297	0.614	20	30		CCEDRM
C=CCONC(=O)Nc1cnc(OC)c(-c2nn[nH]n2)c1	ZINC001573347883	947576851	/nfs/dbraw/zinc/57/68/51/947576851.db2.gz	JEDCPYYIPZFBED-UHFFFAOYSA-N	-1	0	291.271	0.509	20	30		CCEDRM
C=CCn1c(C[C@@H](C)O)nnc1N1CC[C@@H](C(=O)[O-])C1	ZINC001602730199	971406942	/nfs/dbraw/zinc/40/69/42/971406942.db2.gz	WXAOWGSXRAFOCL-NXEZZACHSA-N	-1	0	280.328	0.298	20	30		CCEDRM
CC#CC[C@@H](CO)NC(=O)[C@@]1(C(=O)[O-])CC=CCC1	ZINC001602735165	971417151	/nfs/dbraw/zinc/41/71/51/971417151.db2.gz	UOJYNLCQIDAVCD-SMDDNHRTSA-N	-1	0	265.309	0.688	20	30		CCEDRM
C[C@](C#N)(CC(=O)[O-])C(=O)N1CC[C@]2(CCOC2=O)C1	ZINC001602778671	971512471	/nfs/dbraw/zinc/51/24/71/971512471.db2.gz	JYNJWSWUPCHPFM-OLZOCXBDSA-N	-1	0	280.280	0.157	20	30		CCEDRM
C[C@](C#N)(CC(=O)[O-])C(=O)N1CC[C@@]2(CCOC2=O)C1	ZINC001602778670	971512639	/nfs/dbraw/zinc/51/26/39/971512639.db2.gz	JYNJWSWUPCHPFM-CHWSQXEVSA-N	-1	0	280.280	0.157	20	30		CCEDRM
C[C@](C#N)(CC(=O)[O-])C(=O)NCCCOC(F)F	ZINC001602780316	971517989	/nfs/dbraw/zinc/51/79/89/971517989.db2.gz	DXNQSLTYUGUDIV-SNVBAGLBSA-N	-1	0	264.228	0.736	20	30		CCEDRM
C[C@@](C#N)(CC(=O)[O-])C(=O)NCC[C@H](O)C1CC1	ZINC001602781418	971524888	/nfs/dbraw/zinc/52/48/88/971524888.db2.gz	ZYBAKOGDQUCOGI-CABZTGNLSA-N	-1	0	254.286	0.268	20	30		CCEDRM
C[C@](C#N)(CC(=O)[O-])C(=O)OC[C@@H]1C[C@@H]2COC[C@H]2O1	ZINC001602782532	971529231	/nfs/dbraw/zinc/52/92/31/971529231.db2.gz	VXUDYJRDXIGKEP-BSTOTGJRSA-N	-1	0	283.280	0.338	20	30		CCEDRM
C[C@H](Oc1ccc(C#N)cc1)C(=O)NC[C@@](C)(O)C(=O)[O-]	ZINC000090276492	949120537	/nfs/dbraw/zinc/12/05/37/949120537.db2.gz	IQTAXYDVJBOUBE-LKFCYVNXSA-N	-1	0	292.291	0.277	20	30		CCEDRM
CCC[C@@H](CNC(=O)[C@](C)(C#N)CC(=O)[O-])OC	ZINC001589632512	949566908	/nfs/dbraw/zinc/56/69/08/949566908.db2.gz	UGLXGOJYPMXCGW-CABZTGNLSA-N	-1	0	256.302	0.922	20	30		CCEDRM
CCCCOCCNC(=O)[C@](C)(C#N)CC(=O)[O-]	ZINC001589652823	949790387	/nfs/dbraw/zinc/79/03/87/949790387.db2.gz	MKBDXLUJEPEFMP-LBPRGKRZSA-N	-1	0	256.302	0.924	20	30		CCEDRM
C#C[C@H](NS(=O)(=O)N1CCC(C(=O)[O-])CC1)C(C)C	ZINC000302358769	950563430	/nfs/dbraw/zinc/56/34/30/950563430.db2.gz	NNKLCVFEZFOXID-NSHDSACASA-N	-1	0	288.369	0.275	20	30		CCEDRM
CC(=O)N[C@@H](CSc1ncncc1C#N)C(=O)[O-]	ZINC000380590212	971707369	/nfs/dbraw/zinc/70/73/69/971707369.db2.gz	DAAVPMNGISIXLH-QMMMGPOBSA-N	-1	0	266.282	0.030	20	30		CCEDRM
CCOC(C)(C)CNC(=O)[C@@](C)(C#N)CC(=O)[O-]	ZINC001591531507	951155598	/nfs/dbraw/zinc/15/55/98/951155598.db2.gz	FSYXEFVPVUDGTH-GFCCVEGCSA-N	-1	0	256.302	0.922	20	30		CCEDRM
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CC(C)[C@@H](C(=O)[O-])C(=O)N1CC[C@](O)(CC#N)C1	ZINC001602960325	971945244	/nfs/dbraw/zinc/94/52/44/971945244.db2.gz	BSFIJAUTMKCEQR-BXKDBHETSA-N	-1	0	254.286	0.220	20	30		CCEDRM
C[C@H]1CCN(Cn2cccc(C#N)c2=O)C[C@H]1C(=O)[O-]	ZINC001589356060	954143447	/nfs/dbraw/zinc/14/34/47/954143447.db2.gz	YUGGJGRBKNMYFO-CMPLNLGQSA-N	-1	0	275.308	0.720	20	30		CCEDRM
C[C@H]1CCOCCN1C(=O)[C@](C)(C#N)CC(=O)[O-]	ZINC001589362847	954163098	/nfs/dbraw/zinc/16/30/98/954163098.db2.gz	SOYFLELOEZSQCV-CABZTGNLSA-N	-1	0	254.286	0.628	20	30		CCEDRM
CC(C)[C@@]1(CO)CCN(C(=O)[C@@](C)(C#N)CC(=O)[O-])C1	ZINC001602993890	972032212	/nfs/dbraw/zinc/03/22/12/972032212.db2.gz	RIBOGTPFVLMOEM-KGLIPLIRSA-N	-1	0	282.340	0.858	20	30		CCEDRM
CC(C)[C@@]1(CO)CCN(C(=O)[C@](C)(C#N)CC(=O)[O-])C1	ZINC001602993881	972032633	/nfs/dbraw/zinc/03/26/33/972032633.db2.gz	RIBOGTPFVLMOEM-KBPBESRZSA-N	-1	0	282.340	0.858	20	30		CCEDRM
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CO[C@H](C(=O)[O-])C(=O)O[C@@H](CC#N)c1ccco1	ZINC001593914803	956011328	/nfs/dbraw/zinc/01/13/28/956011328.db2.gz	KOSXMTXSZNWVEV-DTWKUNHWSA-N	-1	0	253.210	0.877	20	30		CCEDRM
Cn1nccc1[C@@H](NC(=O)c1ccnc(C#N)c1)C(=O)[O-]	ZINC001594590052	956047907	/nfs/dbraw/zinc/04/79/07/956047907.db2.gz	CEYUTDPEHKRDDW-LLVKDONJSA-N	-1	0	285.263	0.242	20	30		CCEDRM
CO[C@](C)(C(=O)[O-])C(=O)N1CCN([C@H](C#N)C(C)C)CC1	ZINC001593922497	956096411	/nfs/dbraw/zinc/09/64/11/956096411.db2.gz	QDQHBXACGNIFHN-RISCZKNCSA-N	-1	0	297.355	0.168	20	30		CCEDRM
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N#CCN(CC#N)C(=O)c1coc(/C=C/C(=O)[O-])c1	ZINC001594609672	956194024	/nfs/dbraw/zinc/19/40/24/956194024.db2.gz	GNNKIFDKWCJNQD-OWOJBTEDSA-N	-1	0	259.221	0.867	20	30		CCEDRM
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C[C@](O)(CNC(=O)C1(C#N)CCCCC1)C(=O)[O-]	ZINC001589137933	956241525	/nfs/dbraw/zinc/24/15/25/956241525.db2.gz	CXURYIPGNWXFHL-NSHDSACASA-N	-1	0	254.286	0.412	20	30		CCEDRM
N#Cc1cc2c(nc1N1CCO[C@H](C(=O)[O-])C1)CCOC2	ZINC001594617445	956249017	/nfs/dbraw/zinc/24/90/17/956249017.db2.gz	LCILKCVDJQJLLA-LBPRGKRZSA-N	-1	0	289.291	0.316	20	30		CCEDRM
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C[C@]1(C#N)CN(C(=O)c2ccc(C(=O)[O-])nc2)CCO1	ZINC001589181849	956530664	/nfs/dbraw/zinc/53/06/64/956530664.db2.gz	SALJCVHNUCDLBZ-ZDUSSCGKSA-N	-1	0	275.264	0.534	20	30		CCEDRM
C[C@]1(C#N)CN(CC2(O)CCC(C(=O)[O-])CC2)CCO1	ZINC001589182306	956535599	/nfs/dbraw/zinc/53/55/99/956535599.db2.gz	ZCLIGABFKFJYDS-QRMWWUJWSA-N	-1	0	282.340	0.607	20	30		CCEDRM
C[C@@]1(C#N)CCN(CN2C[C@@H](C(=O)[O-])CC2=O)C1	ZINC001589182272	956535803	/nfs/dbraw/zinc/53/58/03/956535803.db2.gz	XFRDVLVKLJLGNN-CABZTGNLSA-N	-1	0	251.286	0.113	20	30		CCEDRM
COC[C@]1(C(=O)[O-])CN(C(=O)C2(C#N)CCCC2)CCO1	ZINC001593969721	956594271	/nfs/dbraw/zinc/59/42/71/956594271.db2.gz	CLUJQSRZQLHTHZ-AWEZNQCLSA-N	-1	0	296.323	0.399	20	30		CCEDRM
COCC1(CNC(=O)[C@@](C)(C#N)CC(=O)[O-])CCOCC1	ZINC001593986705	956796468	/nfs/dbraw/zinc/79/64/68/956796468.db2.gz	GXZUXBZGMBBFIM-CYBMUJFWSA-N	-1	0	298.339	0.550	20	30		CCEDRM
C=CCNC(=O)COc1cc(C(=O)[O-])ccc1[N+](=O)[O-]	ZINC000013317864	957022899	/nfs/dbraw/zinc/02/28/99/957022899.db2.gz	JAFRPMAAVVPPJP-UHFFFAOYSA-N	-1	0	280.236	0.974	20	30		CCEDRM
CC[C@H](CC#N)NS(=O)(=O)c1cc(C(=O)[O-])n(C)c1	ZINC000054176796	957522597	/nfs/dbraw/zinc/52/25/97/957522597.db2.gz	ZCKKVWJHKCEEAA-MRVPVSSYSA-N	-1	0	285.325	0.694	20	30		CCEDRM
C[C@H](CNC(=O)N1C[C@@H](C)N(CC#N)[C@@H](C)C1)C(=O)[O-]	ZINC001603174812	972273094	/nfs/dbraw/zinc/27/30/94/972273094.db2.gz	XSHFGVHTAPWPKM-MXWKQRLJSA-N	-1	0	282.344	0.335	20	30		CCEDRM
CCN(CC(=O)N(CCC#N)CCC#N)C(C)(C)C(=O)[O-]	ZINC000061175548	957576800	/nfs/dbraw/zinc/57/68/00/957576800.db2.gz	CSHZHMIFTGLXNS-UHFFFAOYSA-N	-1	0	294.355	0.827	20	30		CCEDRM
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C#C[C@@H]1CCCN(C(=O)C(=O)NCCCCC(=O)[O-])C1	ZINC001588386776	957983345	/nfs/dbraw/zinc/98/33/45/957983345.db2.gz	VQIIHHMVYQCVSB-LLVKDONJSA-N	-1	0	280.324	0.229	20	30		CCEDRM
C#C[C@@H](CCC)NC(=O)N1C[C@@H]2COC[C@]2(C(=O)[O-])C1	ZINC001588388052	957991687	/nfs/dbraw/zinc/99/16/87/957991687.db2.gz	PBFORRDVRFPTJK-UHIISALHSA-N	-1	0	280.324	0.531	20	30		CCEDRM
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C#CCN(CC(=O)[O-])C(=O)Cc1ccc(F)cn1	ZINC001588406757	958096629	/nfs/dbraw/zinc/09/66/29/958096629.db2.gz	DVHJXPJPQKXJIX-UHFFFAOYSA-N	-1	0	250.229	0.310	20	30		CCEDRM
C#CCN(CC(=O)[O-])C(=O)Cc1ccc(C=O)cc1	ZINC001588407834	958103121	/nfs/dbraw/zinc/10/31/21/958103121.db2.gz	WYJKBLVWJRRUBW-UHFFFAOYSA-N	-1	0	259.261	0.588	20	30		CCEDRM
C#CCN(CC(=O)[O-])C(=O)NCC[C@@H]1CCCOC1	ZINC001588408292	958107859	/nfs/dbraw/zinc/10/78/59/958107859.db2.gz	FUASJOXUVCZBFZ-NSHDSACASA-N	-1	0	268.313	0.533	20	30		CCEDRM
N#CCN(CC#N)S(=O)(=O)c1ccc(C(=O)[O-])cc1F	ZINC000092114063	958155818	/nfs/dbraw/zinc/15/58/18/958155818.db2.gz	PKIPSMBUGBBXKX-UHFFFAOYSA-N	-1	0	297.267	0.562	20	30		CCEDRM
C#CCN(CC(=O)[O-])C(=O)c1cc(O)ccc1OC	ZINC001588415813	958159458	/nfs/dbraw/zinc/15/94/58/958159458.db2.gz	AJKTWZCXRVDLFW-UHFFFAOYSA-N	-1	0	263.249	0.561	20	30		CCEDRM
C#CCN(CC(=O)[O-])C(=O)c1cc2ncccc2o1	ZINC001588416248	958163443	/nfs/dbraw/zinc/16/34/43/958163443.db2.gz	KLXHFMRUMCXNQO-UHFFFAOYSA-N	-1	0	258.233	0.988	20	30		CCEDRM
C#CCN(CC(=O)[O-])C(=O)c1nc2cnccc2s1	ZINC001588418824	958186292	/nfs/dbraw/zinc/18/62/92/958186292.db2.gz	UMAFONCVPJRGKD-UHFFFAOYSA-N	-1	0	275.289	0.851	20	30		CCEDRM
C#CCN(CC(=O)[O-])C(=O)c1cccc(-n2ccnn2)c1	ZINC001588418901	958188276	/nfs/dbraw/zinc/18/82/76/958188276.db2.gz	JNRWQKGTYKGVIY-UHFFFAOYSA-N	-1	0	284.275	0.427	20	30		CCEDRM
C#CCN(CC(=O)[O-])C[C@@H]1CCC2(CCOCC2)O1	ZINC001588424096	958209478	/nfs/dbraw/zinc/20/94/78/958209478.db2.gz	JOOXRFXWIAWWRA-LBPRGKRZSA-N	-1	0	267.325	0.734	20	30		CCEDRM
C#CCN(CC(=O)[O-])Cc1ccc(/C=C\C(=O)OC)o1	ZINC001588424245	958212698	/nfs/dbraw/zinc/21/26/98/958212698.db2.gz	LZGZWJYLERQHCA-SREVYHEPSA-N	-1	0	277.276	0.986	20	30		CCEDRM
C#CCN(CC(=O)[O-])CC1=NS(=O)(=O)c2ccccc21	ZINC001588424807	958218118	/nfs/dbraw/zinc/21/81/18/958218118.db2.gz	XREPBYLQCVSHIO-UHFFFAOYSA-N	-1	0	292.316	0.198	20	30		CCEDRM
COc1ccc(C#N)cc1COC(=O)COCC(=O)[O-]	ZINC001594075409	958218755	/nfs/dbraw/zinc/21/87/55/958218755.db2.gz	ZLHMKNGWKNIFFF-UHFFFAOYSA-N	-1	0	279.248	0.711	20	30		CCEDRM
C#CCN(CC(=O)[O-])Cc1cnc2nc(C)cc(C)n12	ZINC001588425174	958222582	/nfs/dbraw/zinc/22/25/82/958222582.db2.gz	GZEKWNBPCNBODE-UHFFFAOYSA-N	-1	0	272.308	0.866	20	30		CCEDRM
C#CCN(CC(=O)[O-])Cc1cnc([C@@H](C)O)s1	ZINC001588425277	958224961	/nfs/dbraw/zinc/22/49/61/958224961.db2.gz	LQEDTJPETMSZOB-MRVPVSSYSA-N	-1	0	254.311	0.716	20	30		CCEDRM
C[C@@H](NC(=O)[C@@](C)(C#N)CC(=O)[O-])c1nnnn1C1CC1	ZINC001603216245	972330437	/nfs/dbraw/zinc/33/04/37/972330437.db2.gz	PEZPENGRJODETQ-JMCQJSRRSA-N	-1	0	292.299	0.190	20	30		CCEDRM
C#CCN(CC(=O)[O-])c1nnc([C@H](O)CC)n1CC	ZINC001588427007	958238658	/nfs/dbraw/zinc/23/86/58/958238658.db2.gz	JTWKWCSUQBTYDY-SECBINFHSA-N	-1	0	266.301	0.266	20	30		CCEDRM
C#CCN1CCC[C@H](NC(=O)C2(C(=O)[O-])CC=CC2)C1	ZINC001588430019	958249828	/nfs/dbraw/zinc/24/98/28/958249828.db2.gz	FYTQYYVEZXUYJN-LBPRGKRZSA-N	-1	0	276.336	0.621	20	30		CCEDRM
C#CCN1CCC[C@@H](NC(=O)N[C@@H](C)CC(=O)[O-])C1	ZINC001588429855	958250285	/nfs/dbraw/zinc/25/02/85/958250285.db2.gz	FJZGBJVHMUSGRU-WDEREUQCSA-N	-1	0	267.329	0.246	20	30		CCEDRM
C#CCOCCNC(=O)C1(C(=O)[O-])C(C)(C)C1(C)C	ZINC001588431061	958264942	/nfs/dbraw/zinc/26/49/42/958264942.db2.gz	KFRRUBUWYKCBDR-UHFFFAOYSA-N	-1	0	267.325	0.889	20	30		CCEDRM
C#CCNC(=O)CN[C@H](C(=O)[O-])c1ccc(F)cc1	ZINC001588431362	958268935	/nfs/dbraw/zinc/26/89/35/958268935.db2.gz	WUDPSNNRQOQYTD-LBPRGKRZSA-N	-1	0	264.256	0.290	20	30		CCEDRM
C#CCN1CCC[C@@H](NC(=O)C2(CC(=O)[O-])CCC2)C1	ZINC001588431315	958268987	/nfs/dbraw/zinc/26/89/87/958268987.db2.gz	WFWMHVNOOCBCIF-GFCCVEGCSA-N	-1	0	278.352	0.845	20	30		CCEDRM
C=C(C)COCCNC(=O)[C@H]1CO[C@H](CCC(=O)[O-])C1	ZINC001588439817	958324162	/nfs/dbraw/zinc/32/41/62/958324162.db2.gz	HJNQOHBRGQOOMJ-VXGBXAGGSA-N	-1	0	285.340	0.965	20	30		CCEDRM
C=C(C)[C@H](CO)n1cc(CN2CCC(C(=O)[O-])CC2)nn1	ZINC001588441254	958335468	/nfs/dbraw/zinc/33/54/68/958335468.db2.gz	HXNYRCIUSNNLBJ-ZDUSSCGKSA-N	-1	0	294.355	0.684	20	30		CCEDRM
C=C(C)CCC(=O)N(CCC(=O)OC)CC(=O)[O-]	ZINC001588441495	958336754	/nfs/dbraw/zinc/33/67/54/958336754.db2.gz	JAPVBEZPXVRSIS-UHFFFAOYSA-N	-1	0	257.286	0.819	20	30		CCEDRM
C=C(C)C[C@H](CO)NC(=O)[C@@H]1CO[C@@H](CCC(=O)[O-])C1	ZINC001588442675	958345850	/nfs/dbraw/zinc/34/58/50/958345850.db2.gz	UOUPRUGPAFIJGB-TUAOUCFPSA-N	-1	0	285.340	0.700	20	30		CCEDRM
C=C(CO)C(=O)N[C@@H](C(=O)[O-])c1ccc(F)cc1	ZINC001588445144	958371390	/nfs/dbraw/zinc/37/13/90/958371390.db2.gz	CDXXMYSRDNMYBS-SNVBAGLBSA-N	-1	0	253.229	0.616	20	30		CCEDRM
COc1ccc(CNC(=O)[C@@](C)(C#N)CC(=O)[O-])nc1	ZINC001594093980	958384165	/nfs/dbraw/zinc/38/41/65/958384165.db2.gz	FAFMITPMTRUOSU-CYBMUJFWSA-N	-1	0	277.280	0.711	20	30		CCEDRM
C=C[C@@](C)(O)CC(=O)NC[C@@H]1CCC2(CC(C(=O)[O-])C2)O1	ZINC001588450939	958401986	/nfs/dbraw/zinc/40/19/86/958401986.db2.gz	IFNWYCMPPMTFDD-VOOMFWRJSA-N	-1	0	297.351	0.842	20	30		CCEDRM
C=CC[C@@H](CO)NC(=O)Nc1cc(C(=O)[O-])ccn1	ZINC001588453443	958437949	/nfs/dbraw/zinc/43/79/49/958437949.db2.gz	XMUNRJCKRIUNNP-VIFPVBQESA-N	-1	0	265.269	0.838	20	30		CCEDRM
C=CCC[C@H](NC(=O)[C@@](C)(OC)C(=O)[O-])C(=O)OCC	ZINC001588456971	958440955	/nfs/dbraw/zinc/44/09/55/958440955.db2.gz	DGUHRXZKQFDFSD-TVQRCGJNSA-N	-1	0	287.312	0.490	20	30		CCEDRM
C#CCN(CC(=O)[O-])C(=O)CCOCC(F)(F)C(F)F	ZINC001573317930	958457321	/nfs/dbraw/zinc/45/73/21/958457321.db2.gz	PPKONRQOJCIQOF-UHFFFAOYSA-N	-1	0	299.220	0.840	20	30		CCEDRM
C#C[C@H](CC)NC(=O)N1C[C@H]2COC[C@@]2(C(=O)[O-])C1	ZINC001573318657	958467651	/nfs/dbraw/zinc/46/76/51/958467651.db2.gz	QEDBRXFRCGPLPS-CWSCBRNRSA-N	-1	0	266.297	0.141	20	30		CCEDRM
C=CCCn1cc(CN2CCC[C@H]2C(=O)[O-])nn1	ZINC001588460679	958477448	/nfs/dbraw/zinc/47/74/48/958477448.db2.gz	RQMCESFNENZWSM-NSHDSACASA-N	-1	0	250.302	0.903	20	30		CCEDRM
C=CCCn1cc(C(=O)N(OC)[C@H](C)C(=O)[O-])nn1	ZINC001588460681	958478311	/nfs/dbraw/zinc/47/83/11/958478311.db2.gz	RRPHNIVDXOPQEK-MRVPVSSYSA-N	-1	0	268.273	0.331	20	30		CCEDRM
C=CCN(C)C(=O)N[C@@H]1CCCCN(CC(=O)[O-])C1=O	ZINC001588463192	958481609	/nfs/dbraw/zinc/48/16/09/958481609.db2.gz	ATVKQIHLTZJSOL-SNVBAGLBSA-N	-1	0	283.328	0.280	20	30		CCEDRM
C=CCNC(=O)CNC(=O)/C=C/c1ccc(C(=O)[O-])o1	ZINC001588465349	958501847	/nfs/dbraw/zinc/50/18/47/958501847.db2.gz	DMLMLRAGEFIJMB-GQCTYLIASA-N	-1	0	278.264	0.409	20	30		CCEDRM
C=CCNC(=O)NC(=O)[C@H](C)OC(=O)[C@@H](C(=O)[O-])C1CC1	ZINC001588465472	958502847	/nfs/dbraw/zinc/50/28/47/958502847.db2.gz	LGRMVQWVYUFDON-IONNQARKSA-N	-1	0	298.295	0.041	20	30		CCEDRM
C=CCNC(=O)C(=O)Nc1cccc(CCC(=O)[O-])c1	ZINC001588465400	958503378	/nfs/dbraw/zinc/50/33/78/958503378.db2.gz	IDCUCBLZEIJBEV-UHFFFAOYSA-N	-1	0	276.292	0.945	20	30		CCEDRM
C=CCSCCn1nnnc1N1CC[C@@H](C(=O)[O-])C1	ZINC001588469418	958517276	/nfs/dbraw/zinc/51/72/76/958517276.db2.gz	GBDRHSHSWFXJND-SECBINFHSA-N	-1	0	283.357	0.503	20	30		CCEDRM
C=CCn1c(CO)nnc1N1CC[C@@H](C)[C@H](C(=O)[O-])C1	ZINC001588472620	958545310	/nfs/dbraw/zinc/54/53/10/958545310.db2.gz	QDDSBSKUUYFALN-NXEZZACHSA-N	-1	0	280.328	0.503	20	30		CCEDRM
CC#CC[C@H](CO)NC(=O)c1cccc(OCC(=O)[O-])c1	ZINC001588478636	958570321	/nfs/dbraw/zinc/57/03/21/958570321.db2.gz	FVQKKTMGUVGWNV-GFCCVEGCSA-N	-1	0	291.303	0.654	20	30		CCEDRM
CC#CCCCC(=O)N(CCC(=O)OC)CC(=O)[O-]	ZINC001588478851	958573580	/nfs/dbraw/zinc/57/35/80/958573580.db2.gz	NEPUUNXOKVYUSK-UHFFFAOYSA-N	-1	0	269.297	0.656	20	30		CCEDRM
CC#CCn1nnnc1N1CCC(CCC(=O)[O-])CC1	ZINC001588479934	958580166	/nfs/dbraw/zinc/58/01/66/958580166.db2.gz	JAQOTGMTIKYSEK-UHFFFAOYSA-N	-1	0	277.328	0.778	20	30		CCEDRM
C[C@@](C#N)(CC(=O)[O-])C(=O)NC[C@H](CO)c1cccnc1	ZINC001588538496	958942965	/nfs/dbraw/zinc/94/29/65/958942965.db2.gz	IVWKOVUECWKREM-RISCZKNCSA-N	-1	0	291.307	0.278	20	30		CCEDRM
C[C@](C#N)(CC(=O)[O-])C(=O)N[C@H]1COC2(CCC2)C1	ZINC001588538861	958946650	/nfs/dbraw/zinc/94/66/50/958946650.db2.gz	ORNRVOIBKQJCDE-BXKDBHETSA-N	-1	0	266.297	0.819	20	30		CCEDRM
C[C@H](C#N)OCCOC(=O)[C@@H]1CC[C@H](C(=O)[O-])C1	ZINC001588543022	958976013	/nfs/dbraw/zinc/97/60/13/958976013.db2.gz	GXXNCCHJPWOAFN-KXUCPTDWSA-N	-1	0	255.270	0.959	20	30		CCEDRM
C[C@](C#N)(NC(=O)CN1CCC[C@]1(C)C(=O)[O-])C1CC1	ZINC001588544004	958987298	/nfs/dbraw/zinc/98/72/98/958987298.db2.gz	XLBQLRIIIQQIRQ-ZIAGYGMSSA-N	-1	0	279.340	0.734	20	30		CCEDRM
C[C@@H](C(=O)NC1(C(=O)[O-])CCCC1)n1cnc(C#N)n1	ZINC001588551310	959024985	/nfs/dbraw/zinc/02/49/85/959024985.db2.gz	DLZQJIXCMHFSJC-QMMMGPOBSA-N	-1	0	277.284	0.224	20	30		CCEDRM
C#CC[C@H](NC(=O)COc1ccccc1O)C(=O)[O-]	ZINC000149810234	959027595	/nfs/dbraw/zinc/02/75/95/959027595.db2.gz	OWOZDIGNLGUJPZ-VIFPVBQESA-N	-1	0	263.249	0.364	20	30		CCEDRM
C#CC[C@H](NC(=O)c1ccc([N+](=O)[O-])o1)C(=O)[O-]	ZINC000149826892	959029125	/nfs/dbraw/zinc/02/91/25/959029125.db2.gz	FQCMJLGFONVBDZ-LURJTMIESA-N	-1	0	252.182	0.394	20	30		CCEDRM
C#CC[C@@H](NC(=O)c1ccc2nccnc2c1)C(=O)[O-]	ZINC000149981445	959031715	/nfs/dbraw/zinc/03/17/15/959031715.db2.gz	NVTIHDLEHPCWFO-LLVKDONJSA-N	-1	0	269.260	0.836	20	30		CCEDRM
C[S@@](=O)c1ccc(C=NNCCC(=O)[O-])cc1	ZINC001594178763	959062652	/nfs/dbraw/zinc/06/26/52/959062652.db2.gz	OTMMPXXPDHDNSH-QGZVFWFLSA-N	-1	0	254.311	0.822	20	30		CCEDRM
C[C@](C#N)(CC(=O)[O-])C(=O)NC[C@H]1CN(C2CC2)C(=O)O1	ZINC001588557099	959063472	/nfs/dbraw/zinc/06/34/72/959063472.db2.gz	FUMXYKRYFCHTCG-TVQRCGJNSA-N	-1	0	295.295	0.090	20	30		CCEDRM
CSc1ccc(CNC(=O)C(=O)[O-])cc1C#N	ZINC001594194057	959185131	/nfs/dbraw/zinc/18/51/31/959185131.db2.gz	ADAKXJFSMDNYKM-UHFFFAOYSA-N	-1	0	250.279	0.981	20	30		CCEDRM
C#C[C@@H](C)NS(=O)(=O)c1csc(C(=O)[O-])c1	ZINC000166341622	959304628	/nfs/dbraw/zinc/30/46/28/959304628.db2.gz	LVUXPGCJHOPXOU-ZCFIWIBFSA-N	-1	0	259.308	0.746	20	30		CCEDRM
Cc1nc(C(=O)Nc2ncn(CC(=O)[O-])n2)ccc1C#N	ZINC001594447469	959342511	/nfs/dbraw/zinc/34/25/11/959342511.db2.gz	PPJNYPCXUFJGDD-UHFFFAOYSA-N	-1	0	286.251	0.190	20	30		CCEDRM
C[C@H](CN(C)S(=O)(=O)c1ccc(C#N)cn1)C(=O)[O-]	ZINC001573588498	959382497	/nfs/dbraw/zinc/38/24/97/959382497.db2.gz	NLTSPOXRWYIZND-MRVPVSSYSA-N	-1	0	283.309	0.294	20	30		CCEDRM
CC(C)(C(=O)[O-])C(=O)NCC1CCN(CC#N)CC1	ZINC001588611108	959508897	/nfs/dbraw/zinc/50/88/97/959508897.db2.gz	DOZFLHJEDLRQFM-UHFFFAOYSA-N	-1	0	267.329	0.449	20	30		CCEDRM
CC(C)(C)C#CC(=O)NC1(C(=O)[O-])CCOCC1	ZINC001588626247	959579778	/nfs/dbraw/zinc/57/97/78/959579778.db2.gz	ZSUBZKLDZWSDGY-UHFFFAOYSA-N	-1	0	253.298	0.786	20	30		CCEDRM
C[C@](O)(CNC(=O)[C@]1(C#N)CC2CCC1CC2)C(=O)[O-]	ZINC001603256345	972441126	/nfs/dbraw/zinc/44/11/26/972441126.db2.gz	OZJGWOYPVGJLCN-FMPDERDJSA-N	-1	0	280.324	0.658	20	30		CCEDRM
C[C@@](O)(CNC(=O)c1ccc(C#N)c(Cl)c1)C(=O)[O-]	ZINC001603261902	972447381	/nfs/dbraw/zinc/44/73/81/972447381.db2.gz	UICLUVQVYJQHRT-GFCCVEGCSA-N	-1	0	282.683	0.777	20	30		CCEDRM
CC(C)(C)[C@H](C(=O)[O-])C(=O)OCC(=O)NC1(C#N)CCC1	ZINC001588640663	959688559	/nfs/dbraw/zinc/68/85/59/959688559.db2.gz	LDALCPHTDAEGQG-SNVBAGLBSA-N	-1	0	296.323	0.839	20	30		CCEDRM
C[C@H](OC(=O)[C@@H](C(=O)[O-])C1CC1)C(=O)NC1(C#N)CCC1	ZINC001603268951	972472771	/nfs/dbraw/zinc/47/27/71/972472771.db2.gz	QYOQSCJSMBVGGP-WCBMZHEXSA-N	-1	0	294.307	0.591	20	30		CCEDRM
CCN(C[C@H](C)C#N)C(=O)c1cc(C(=O)[O-])on1	ZINC000230046526	960116656	/nfs/dbraw/zinc/11/66/56/960116656.db2.gz	AOGPDSCSKYDCKT-SSDOTTSWSA-N	-1	0	251.242	0.995	20	30		CCEDRM
C[C@H]1CCN(C(=O)Nc2nn(C)cc2C#N)C[C@@H]1C(=O)[O-]	ZINC001573735957	960435033	/nfs/dbraw/zinc/43/50/33/960435033.db2.gz	MDKLUYFUVAHOON-WPRPVWTQSA-N	-1	0	291.311	0.866	20	30		CCEDRM
C[C@H]1CCN(C(=O)Nc2nn(C)cc2C#N)C[C@H]1C(=O)[O-]	ZINC001573735956	960435358	/nfs/dbraw/zinc/43/53/58/960435358.db2.gz	MDKLUYFUVAHOON-WCBMZHEXSA-N	-1	0	291.311	0.866	20	30		CCEDRM
C[C@@](Cn1cccn1)(NC(=O)c1c[nH]c(C#N)c1)C(=O)[O-]	ZINC001571029902	960471442	/nfs/dbraw/zinc/47/14/42/960471442.db2.gz	YCASZFQIGUPTNJ-ZDUSSCGKSA-N	-1	0	287.279	0.356	20	30		CCEDRM
N#Cc1ccc(CC(=O)NC[C@@]2(C(=O)[O-])CCOC2)cc1	ZINC001571034779	960511444	/nfs/dbraw/zinc/51/14/44/960511444.db2.gz	UUXUSZBGNOWPIK-HNNXBMFYSA-N	-1	0	288.303	0.708	20	30		CCEDRM
Cc1ccc(CNC(=O)N2CC(O)(C(=O)[O-])C2)cc1C#N	ZINC001571035324	960523953	/nfs/dbraw/zinc/52/39/53/960523953.db2.gz	LROOSTZWOHFPDN-UHFFFAOYSA-N	-1	0	289.291	0.208	20	30		CCEDRM
N#Cc1ccc(CC(=O)NC[C@@]2(C(=O)[O-])CCOC2)cn1	ZINC001571036494	960542140	/nfs/dbraw/zinc/54/21/40/960542140.db2.gz	ZJYBMMILDQDWRF-AWEZNQCLSA-N	-1	0	289.291	0.103	20	30		CCEDRM
CN(CC(C)(C)CO)C(=O)[C@](C)(C#N)CC(=O)[O-]	ZINC001604121877	972521456	/nfs/dbraw/zinc/52/14/56/972521456.db2.gz	TVQLBHNNVZSUMZ-LBPRGKRZSA-N	-1	0	256.302	0.468	20	30		CCEDRM
N#Cc1cc(C(=O)N[C@H](CCC2OCCO2)C(=O)[O-])co1	ZINC001571052998	960700534	/nfs/dbraw/zinc/70/05/34/960700534.db2.gz	WPRCORCLWQRMMG-SNVBAGLBSA-N	-1	0	294.263	0.487	20	30		CCEDRM
C[C@]1(CNC(=O)N2CCC(C#N)(C(=O)[O-])CC2)CCOC1	ZINC001571055367	960716574	/nfs/dbraw/zinc/71/65/74/960716574.db2.gz	AZUFBWYRQMVTGX-CYBMUJFWSA-N	-1	0	295.339	0.813	20	30		CCEDRM
CC[C@@H](CNC(=O)Cc1noc(C)c1C#N)C(=O)[O-]	ZINC001573796278	960778171	/nfs/dbraw/zinc/77/81/71/960778171.db2.gz	UMZHYVLBLSKMPQ-QMMMGPOBSA-N	-1	0	265.269	0.624	20	30		CCEDRM
CCN(CCC#N)C(=O)CN1[C@H](C)CC[C@@H]1C(=O)[O-]	ZINC001573879622	961267234	/nfs/dbraw/zinc/26/72/34/961267234.db2.gz	LXQPHUXCOSVGJW-GHMZBOCLSA-N	-1	0	267.329	0.686	20	30		CCEDRM
CC[N@H+](Cc1cc(=O)n2[n-]cc(C#N)c2n1)[C@@H](C)C(=O)[O-]	ZINC001573881541	961281393	/nfs/dbraw/zinc/28/13/93/961281393.db2.gz	PVVVCSKNDQRWBS-QMMMGPOBSA-N	-1	0	289.295	0.602	20	30		CCEDRM
CC(C)[C@H](C#N)N1CCN(C(=O)C(C)(C)C(=O)[O-])CC1	ZINC001588801883	961428835	/nfs/dbraw/zinc/42/88/35/961428835.db2.gz	NPFLPISOPLBOTH-NSHDSACASA-N	-1	0	281.356	0.790	20	30		CCEDRM
Cc1onc(CC(=O)N2[C@H](C)CC[C@@H]2C(=O)[O-])c1C#N	ZINC001574446755	961455441	/nfs/dbraw/zinc/45/54/41/961455441.db2.gz	ZEGOQUMSRCCJCS-RDDDGLTNSA-N	-1	0	277.280	0.861	20	30		CCEDRM
CC[C@H](C)[C@H](NC(=O)CNc1ccc(C#N)cn1)C(=O)[O-]	ZINC001573936919	961604852	/nfs/dbraw/zinc/60/48/52/961604852.db2.gz	FOPSEAYJXUCZIM-ZANVPECISA-N	-1	0	290.323	0.981	20	30		CCEDRM
N#Cc1ccc(CC(=O)N[C@H]2CCC[C@H]2C(=O)[O-])cn1	ZINC001574486038	961682161	/nfs/dbraw/zinc/68/21/61/961682161.db2.gz	PHDDGHNRFPIEHO-NEPJUHHUSA-N	-1	0	273.292	0.865	20	30		CCEDRM
N#Cc1cnc(N2C[C@H]3COC[C@@]3(C(=O)[O-])C2)c(F)c1	ZINC001574493364	961718790	/nfs/dbraw/zinc/71/87/90/961718790.db2.gz	LFCSIUJWUQLQKY-ZANVPECISA-N	-1	0	277.255	0.630	20	30		CCEDRM
COC[C@@H](CCNC(=O)[C@](C)(C#N)CC(=O)[O-])OC	ZINC001574130913	962529450	/nfs/dbraw/zinc/52/94/50/962529450.db2.gz	SOKYVLPWONQCGL-SKDRFNHKSA-N	-1	0	272.301	0.159	20	30		CCEDRM
C#CCN(C(=O)[C@H]1C[C@@H](C)[C@H](C(=O)[O-])O1)C(C)C	ZINC001573301551	962629895	/nfs/dbraw/zinc/62/98/95/962629895.db2.gz	GKRIKARHUOXOPQ-GMTAPVOTSA-N	-1	0	253.298	0.735	20	30		CCEDRM
C#CC[C@@H](NC(=O)Cc1cccc(OCC#N)c1)C(=O)[O-]	ZINC001573302114	962643972	/nfs/dbraw/zinc/64/39/72/962643972.db2.gz	JEEPGPLNOFVSMF-CYBMUJFWSA-N	-1	0	286.287	0.724	20	30		CCEDRM
C[C@H](CC#N)N(C)S(=O)(=O)N([C@H](C)C(=O)[O-])C1CC1	ZINC001588987713	962764000	/nfs/dbraw/zinc/76/40/00/962764000.db2.gz	BTHBQIIEILOFIY-RKDXNWHRSA-N	-1	0	289.357	0.403	20	30		CCEDRM
C[C@H](CC#N)C(=O)NCC1(C(=O)[O-])CCOCC1	ZINC001588987772	962765520	/nfs/dbraw/zinc/76/55/20/962765520.db2.gz	FXHMYMPGJSWHFX-SECBINFHSA-N	-1	0	254.286	0.534	20	30		CCEDRM
C=C(C)C[C@H](NC(C)=O)C(=O)N1C[C@@H](C)O[C@H](C(=O)[O-])C1	ZINC001573324021	962779629	/nfs/dbraw/zinc/77/96/29/962779629.db2.gz	MBMDIACYXLYMMM-USWWRNFRSA-N	-1	0	298.339	0.158	20	30		CCEDRM
C=C(C)C[C@H](NC(=O)c1cn[nH]c(=O)c1)C(=O)[O-]	ZINC001573324840	962790422	/nfs/dbraw/zinc/79/04/22/962790422.db2.gz	ZSWYXFPGTYQKNA-QMMMGPOBSA-N	-1	0	251.242	0.331	20	30		CCEDRM
C=C(CCC(=O)[O-])C(=O)N1CC[C@H](N2CCCC2=O)C1	ZINC001573332553	962837696	/nfs/dbraw/zinc/83/76/96/962837696.db2.gz	OUQULAYTGCUJDT-NSHDSACASA-N	-1	0	280.324	0.631	20	30		CCEDRM
C=C(CCC(=O)[O-])C(=O)N[C@@H](CCSC)C(=O)NC	ZINC001573336297	962858186	/nfs/dbraw/zinc/85/81/86/962858186.db2.gz	AVAGCSFVFQEBJI-VIFPVBQESA-N	-1	0	288.369	0.391	20	30		CCEDRM
C=C(CCC(=O)OC)C(=O)N(C)[C@@H](COCC)C(=O)[O-]	ZINC001573338431	962872958	/nfs/dbraw/zinc/87/29/58/962872958.db2.gz	ASSXRSWPACXSRY-JTQLQIEISA-N	-1	0	287.312	0.444	20	30		CCEDRM
C=CC[C@@H](CO)CNS(=O)(=O)[C@H]1CC[C@@H](C(=O)[O-])C1	ZINC001573350190	962966843	/nfs/dbraw/zinc/96/68/43/962966843.db2.gz	FQNKKPHMRNGEKY-MXWKQRLJSA-N	-1	0	291.369	0.344	20	30		CCEDRM
C=C(Cl)CN1CC(CNC(=O)[C@H]2C[C@@H]2C(=O)[O-])C1	ZINC001570999572	963209340	/nfs/dbraw/zinc/20/93/40/963209340.db2.gz	IOFBYJCLJWRMTM-UWVGGRQHSA-N	-1	0	272.732	0.508	20	30		CCEDRM
Cc1c(C(=O)N[C@H]2CC[C@H]2C(=O)[O-])cnn1CCC#N	ZINC001571005661	963242645	/nfs/dbraw/zinc/24/26/45/963242645.db2.gz	UCPBACPMWJZMNA-KOLCDFICSA-N	-1	0	276.296	0.698	20	30		CCEDRM
C[C@@H](C#N)CNS(=O)(=O)c1cc(C(=O)[O-])ccn1	ZINC000311197106	963467330	/nfs/dbraw/zinc/46/73/30/963467330.db2.gz	IQVJPJRXQKMGEH-ZETCQYMHSA-N	-1	0	269.282	0.218	20	30		CCEDRM
N#CCc1cccc(NC(=O)N2CC[C@](O)(C(=O)[O-])C2)c1	ZINC000313481177	963645348	/nfs/dbraw/zinc/64/53/48/963645348.db2.gz	QGNSHZFRXZXJAY-CQSZACIVSA-N	-1	0	289.291	0.806	20	30		CCEDRM
C#CCC[C@@H](O)CNS(=O)(=O)c1occc1C(=O)[O-]	ZINC001588435717	964026746	/nfs/dbraw/zinc/02/67/46/964026746.db2.gz	XYLHTGQLDKZMOI-MRVPVSSYSA-N	-1	0	287.293	0.030	20	30		CCEDRM
C=C(Cl)Cn1nnnc1N1CC[C@H](C(=O)[O-])C1	ZINC001588445136	964065816	/nfs/dbraw/zinc/06/58/16/964065816.db2.gz	BOHHKLYWXWIGLC-ZETCQYMHSA-N	-1	0	257.681	0.337	20	30		CCEDRM
N#CCc1ccc(NC(=O)[C@@H]2CC(C(=O)[O-])=NO2)cc1	ZINC000230759526	967732309	/nfs/dbraw/zinc/73/23/09/967732309.db2.gz	SMJIMQKPIJQNHS-NSHDSACASA-N	-1	0	273.248	0.921	20	30		CCEDRM
CC(C)(C)CCCn1c(=O)c(C#N)cn(CC(=O)[O-])c1=O	ZINC001573424921	969811463	/nfs/dbraw/zinc/81/14/63/969811463.db2.gz	QHWRYXJZCHYCGI-UHFFFAOYSA-N	-1	0	293.323	0.793	20	30		CCEDRM
N#Cc1ccc(C(=O)OCC(=O)NCC(=O)[O-])cc1Cl	ZINC001608200285	970402761	/nfs/dbraw/zinc/40/27/61/970402761.db2.gz	YJKOQEUSHWOZOX-UHFFFAOYSA-N	-1	0	296.666	0.569	20	30		CCEDRM
C=CC[C@H](CO)NS(=O)(=O)c1cccc(C(=O)[O-])c1	ZINC000320086552	970611657	/nfs/dbraw/zinc/61/16/57/970611657.db2.gz	CISWWRKIBPGFHH-SNVBAGLBSA-N	-1	0	285.321	0.600	20	30		CCEDRM
C=CC[C@H](CO)NS(=O)(=O)Cc1ccc(C(=O)[O-])cc1	ZINC000321136032	970747067	/nfs/dbraw/zinc/74/70/67/970747067.db2.gz	SIRLGSKQLVRPIZ-GFCCVEGCSA-N	-1	0	299.348	0.741	20	30		CCEDRM
C=CCNC(=O)CNC(=O)c1ccccc1C(=O)[O-]	ZINC000393833336	972648480	/nfs/dbraw/zinc/64/84/80/972648480.db2.gz	HGMKOMJPNZJGBH-UHFFFAOYSA-N	-1	0	262.265	0.417	20	30		CCEDRM
COC(=O)[C@]12C[C@H]1C[C@H](NC(=O)[C@](C)(C#N)CC(=O)[O-])C2	ZINC001604361941	973059999	/nfs/dbraw/zinc/05/99/99/973059999.db2.gz	WROFNJBDIWUYCO-GHSKTYPESA-N	-1	0	294.307	0.449	20	30		CCEDRM
Cc1ccn(CN2CCC[C@H](C(=O)[O-])C2)c(=O)c1C#N	ZINC001605360288	973292200	/nfs/dbraw/zinc/29/22/00/973292200.db2.gz	VTSFLGCNTDYITB-NSHDSACASA-N	-1	0	275.308	0.783	20	30		CCEDRM
CC[C@](C)(C#N)C(=O)N(CCC(=O)OC)CC(=O)[O-]	ZINC001603504554	973479523	/nfs/dbraw/zinc/47/95/23/973479523.db2.gz	CCDRGQDDHAYCJZ-GFCCVEGCSA-N	-1	0	270.285	0.403	20	30		CCEDRM
Cc1cc(C)c(C#N)c(N2C[C@H](C(=O)[O-])C[C@H](O)C2)n1	ZINC000401879126	973486763	/nfs/dbraw/zinc/48/67/63/973486763.db2.gz	HANJLMFOPPLSNK-MNOVXSKESA-N	-1	0	275.308	0.842	20	30		CCEDRM
COC[C@@H]1CN(C(=O)[C@@](C)(C#N)CC(=O)[O-])C[C@@H](C)O1	ZINC001604567162	973642152	/nfs/dbraw/zinc/64/21/52/973642152.db2.gz	IRXWEWZBWYBARC-GBIKHYSHSA-N	-1	0	284.312	0.253	20	30		CCEDRM
COCCN(CC(=O)[O-])C(=O)c1ccc(C#N)c(O)c1	ZINC001604591813	973681169	/nfs/dbraw/zinc/68/11/69/973681169.db2.gz	BRPYKGWKALHXBH-UHFFFAOYSA-N	-1	0	278.264	0.437	20	30		CCEDRM
COCCN(CCC(=O)[O-])C(=O)NCCCCC#N	ZINC001604599777	973698809	/nfs/dbraw/zinc/69/88/09/973698809.db2.gz	CYFZNKNCFDNDKD-UHFFFAOYSA-N	-1	0	271.317	0.813	20	30		CCEDRM
CO[C@H]1C[C@@H](N(C)C(=O)[C@](C)(C#N)CC(=O)[O-])C1	ZINC001604668995	973854682	/nfs/dbraw/zinc/85/46/82/973854682.db2.gz	BTHPIPKYRWTKQR-SBMIAAHKSA-N	-1	0	254.286	0.627	20	30		CCEDRM
N#CC[C@@]1(O)CCN(C(=O)[C@@]2(C(=O)[O-])CC=CCC2)C1	ZINC001605581631	973859821	/nfs/dbraw/zinc/85/98/21/973859821.db2.gz	FNPUOUAVNSNLQO-ZIAGYGMSSA-N	-1	0	278.308	0.675	20	30		CCEDRM
N#C[C@@]1(NC(=O)c2ccc(C(=O)[O-])nc2)CCSC1	ZINC001605582888	973868523	/nfs/dbraw/zinc/86/85/23/973868523.db2.gz	IEHDXAXCAHIHDW-LBPRGKRZSA-N	-1	0	277.305	0.909	20	30		CCEDRM
N#CC1(CNC(=O)c2cnc(C(=O)[O-])cn2)CCCC1	ZINC001605582860	973869196	/nfs/dbraw/zinc/86/91/96/973869196.db2.gz	GPUGCEQNTVIMQW-UHFFFAOYSA-N	-1	0	274.280	0.989	20	30		CCEDRM
N#C[C@]1(F)CCN(C(=O)Nc2ccn(CC(=O)[O-])n2)C1	ZINC001605583043	973869973	/nfs/dbraw/zinc/86/99/73/973869973.db2.gz	KLTRHCHGZHNIIJ-LLVKDONJSA-N	-1	0	281.247	0.437	20	30		CCEDRM
N#CCN1CCC[C@H](CNC(=O)C2(C(=O)[O-])CCC2)C1	ZINC001605585533	973875820	/nfs/dbraw/zinc/87/58/20/973875820.db2.gz	DQOAPXKPZZPEFI-LLVKDONJSA-N	-1	0	279.340	0.593	20	30		CCEDRM
N#Cc1c(NC(=O)CSCC(=O)[O-])n[nH]c1C1CC1	ZINC001605591361	973887832	/nfs/dbraw/zinc/88/78/32/973887832.db2.gz	YNCIDRBTQSSUDG-UHFFFAOYSA-N	-1	0	280.309	0.915	20	30		CCEDRM
N#Cc1cc(CNC(=O)c2cnc(C(=O)[O-])cn2)ccn1	ZINC001605592005	973891698	/nfs/dbraw/zinc/89/16/98/973891698.db2.gz	NEFXVXCEFIPDLC-UHFFFAOYSA-N	-1	0	283.247	0.371	20	30		CCEDRM
N#CCOc1cccc(OCC(=O)NCC(=O)[O-])c1	ZINC001605601506	973904505	/nfs/dbraw/zinc/90/45/05/973904505.db2.gz	OPXHMHZVFQZAOF-UHFFFAOYSA-N	-1	0	264.237	0.169	20	30		CCEDRM
CCC[C@H](C)[C@H](CO)NC(=O)[C@](C)(C#N)CC(=O)[O-]	ZINC001603632865	973954971	/nfs/dbraw/zinc/95/49/71/973954971.db2.gz	NGAFMQVFWPTESE-KWBADKCTSA-N	-1	0	270.329	0.904	20	30		CCEDRM
NC(=O)c1ccc(N=NCc2ccc(C(=O)[O-])s2)nn1	ZINC001605641492	974000434	/nfs/dbraw/zinc/00/04/34/974000434.db2.gz	IAVRACGORYNZIG-UHFFFAOYSA-N	-1	0	291.292	0.781	20	30		CCEDRM
COc1ccc(NC(=O)[C@@H](OC)C(=O)[O-])cc1C#N	ZINC001604809302	974046648	/nfs/dbraw/zinc/04/66/48/974046648.db2.gz	FISGSUPZMZPRPM-SNVBAGLBSA-N	-1	0	264.237	0.605	20	30		CCEDRM
CCN(CCC#N)S(=O)(=O)N(CC)[C@@H](C)C(=O)[O-]	ZINC001603736718	974176598	/nfs/dbraw/zinc/17/65/98/974176598.db2.gz	OPWOWKIVLGUKMI-VIFPVBQESA-N	-1	0	277.346	0.262	20	30		CCEDRM
CCN(CCC#N)C(=O)c1cccn(CC(=O)[O-])c1=O	ZINC001603737081	974178340	/nfs/dbraw/zinc/17/83/40/974178340.db2.gz	WENBUNGWCPJKQP-UHFFFAOYSA-N	-1	0	277.280	0.309	20	30		CCEDRM
CN(C(=O)c1cccn(CC(=O)[O-])c1=O)C1(C#N)CCC1	ZINC001604035423	974562842	/nfs/dbraw/zinc/56/28/42/974562842.db2.gz	RETNXQCPVSBUOX-UHFFFAOYSA-N	-1	0	289.291	0.451	20	30		CCEDRM
C[C@H](CC#N)C(=O)O[C@H]1CCN(CCC(=O)[O-])C1=O	ZINC001592221630	977401628	/nfs/dbraw/zinc/40/16/28/977401628.db2.gz	LLCMNEQJJXZBAC-BDAKNGLRSA-N	-1	0	268.269	0.155	20	30		CCEDRM
C[C@](CCF)(NS(=O)(=O)CCCC#N)C(=O)[O-]	ZINC001592507684	978327843	/nfs/dbraw/zinc/32/78/43/978327843.db2.gz	MMVHKGMSUAGJSD-SECBINFHSA-N	-1	0	266.294	0.412	20	30		CCEDRM
CC[C@@H](CC#N)N[C@H]1CCCN(CCC(=O)[O-])C1=O	ZINC001595030077	979163770	/nfs/dbraw/zinc/16/37/70/979163770.db2.gz	LBTOZMBZWCLTIE-QWRGUYRKSA-N	-1	0	267.329	0.734	20	30		CCEDRM
CC[C@H](NC(=O)CNc1ccc(C#N)cn1)C(=O)[O-]	ZINC001595242336	980163310	/nfs/dbraw/zinc/16/33/10/980163310.db2.gz	ARPOZJJRLRBXIJ-VIFPVBQESA-N	-1	0	262.269	0.345	20	30		CCEDRM
CCC[C@](C)(NC(=O)[C@H](C)n1cnc(C#N)n1)C(=O)[O-]	ZINC001595547177	981417733	/nfs/dbraw/zinc/41/77/33/981417733.db2.gz	XHXLAQJVOOENLH-UFBFGSQYSA-N	-1	0	279.300	0.470	20	30		CCEDRM
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C#C[C@](C)(CC)NS(=O)(=O)c1cc(C(=O)[O-])[nH]n1	ZINC001588367028	983296873	/nfs/dbraw/zinc/29/68/73/983296873.db2.gz	GJIWRJPPUBCRQY-SNVBAGLBSA-N	-1	0	271.298	0.188	20	30		CCEDRM
C#C[C@@H](C)NC(=O)N[C@H]1CCCn2nc(C(=O)[O-])cc21	ZINC001588368012	983302900	/nfs/dbraw/zinc/30/29/00/983302900.db2.gz	FMIIRVUCWZQEDS-BDAKNGLRSA-N	-1	0	276.296	0.737	20	30		CCEDRM
C#C[C@@H](NC(=O)C(=O)Nc1cc(C)[nH]c1C(=O)[O-])C(C)C	ZINC001588370516	983319926	/nfs/dbraw/zinc/31/99/26/983319926.db2.gz	GCZBDSGFLQHIOL-SECBINFHSA-N	-1	0	291.307	0.734	20	30		CCEDRM
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C#C[C@@H]1CCCN(C(=O)C(=O)N(C)[C@H]2C[C@@H](C(=O)[O-])C2)C1	ZINC001588382684	983373575	/nfs/dbraw/zinc/37/35/75/983373575.db2.gz	SOYNCQNIBJTWRQ-UTUOFQBUSA-N	-1	0	292.335	0.180	20	30		CCEDRM
C#CC1CCN(C(=O)C(=O)NCCCCC(=O)[O-])CC1	ZINC001588383426	983381095	/nfs/dbraw/zinc/38/10/95/983381095.db2.gz	ZHRFHBFCKDYULH-UHFFFAOYSA-N	-1	0	280.324	0.229	20	30		CCEDRM
C#CC1CCN(c2nnnn2C2CC(CC(=O)[O-])C2)CC1	ZINC001588383573	983382578	/nfs/dbraw/zinc/38/25/78/983382578.db2.gz	DTIUJBCWMHVQQK-UHFFFAOYSA-N	-1	0	289.339	0.949	20	30		CCEDRM
C#CC[C@H](CO)NC(=O)N[C@H]1C[C@H]2C[C@H](C(=O)[O-])C[C@H]21	ZINC001588394797	983403917	/nfs/dbraw/zinc/40/39/17/983403917.db2.gz	PMSWRXCORUINRR-ROHXPCBUSA-N	-1	0	280.324	0.169	20	30		CCEDRM
C#CC[C@H](COC)OC(=O)c1cncc(C(=O)[O-])c1	ZINC001588396035	983407379	/nfs/dbraw/zinc/40/73/79/983407379.db2.gz	WGQNBUIHHYSBFC-LLVKDONJSA-N	-1	0	263.249	0.975	20	30		CCEDRM
C#CC[C@@H](COC)NS(=O)(=O)c1ccc(C(=O)[O-])nc1	ZINC001588396244	983407954	/nfs/dbraw/zinc/40/79/54/983407954.db2.gz	XBRJGYTUKFFXEH-VIFPVBQESA-N	-1	0	298.320	0.096	20	30		CCEDRM
C#CC[C@@H](NC(=O)C1(Br)CC1)C(=O)[O-]	ZINC001588398134	983411203	/nfs/dbraw/zinc/41/12/03/983411203.db2.gz	DLTNXDSBJHVVDR-ZCFIWIBFSA-N	-1	0	260.087	0.507	20	30		CCEDRM
C#CC[C@H](NC(=O)[C@@H](C)CNC(=O)OC(C)(C)C)C(=O)[O-]	ZINC001588398573	983413590	/nfs/dbraw/zinc/41/35/90/983413590.db2.gz	LIUOWHAQSULCFW-UWVGGRQHSA-N	-1	0	298.339	0.740	20	30		CCEDRM
C#CC[C@H](NC(=O)Cc1c[nH]c2cnccc12)C(=O)[O-]	ZINC001588405522	983421669	/nfs/dbraw/zinc/42/16/69/983421669.db2.gz	QUPYJVWYIJXJBT-NSHDSACASA-N	-1	0	271.276	0.698	20	30		CCEDRM
C#CC[C@H](NC(=O)c1cccn(C(C)(C)C)c1=O)C(=O)[O-]	ZINC001588416164	983436310	/nfs/dbraw/zinc/43/63/10/983436310.db2.gz	JTOLMKRIARSDIV-NSHDSACASA-N	-1	0	290.319	0.810	20	30		CCEDRM
C#CC[C@H](NC(=O)c1cnn2ccc(C)nc12)C(=O)[O-]	ZINC001588421132	983439591	/nfs/dbraw/zinc/43/95/91/983439591.db2.gz	BULLEUOPFLZIPS-JTQLQIEISA-N	-1	0	272.264	0.244	20	30		CCEDRM
C#CC[C@@H](NC(=O)c1ncc(F)cc1F)C(=O)[O-]	ZINC001588422394	983446277	/nfs/dbraw/zinc/44/62/77/983446277.db2.gz	XGJPJWQVAVVEIQ-MRVPVSSYSA-N	-1	0	254.192	0.566	20	30		CCEDRM
C#CC[C@H](NS(=O)(=O)CC(CC)CC)C(=O)[O-]	ZINC001588424518	983455530	/nfs/dbraw/zinc/45/55/30/983455530.db2.gz	WOURLXIIDDNKCM-JTQLQIEISA-N	-1	0	261.343	0.819	20	30		CCEDRM
C#CCC1(NC(=O)COCc2ocnc2C(=O)[O-])CCC1	ZINC001588427571	983456790	/nfs/dbraw/zinc/45/67/90/983456790.db2.gz	CXNPVDFFKPIIKW-UHFFFAOYSA-N	-1	0	292.291	0.952	20	30		CCEDRM
C#CCC[C@H](O)CNC(=O)N[C@H]1C[C@H]2C[C@H](C(=O)[O-])C[C@H]21	ZINC001588435038	983474236	/nfs/dbraw/zinc/47/42/36/983474236.db2.gz	AHMSLUWFQJKLSE-SJHCENCUSA-N	-1	0	294.351	0.559	20	30		CCEDRM
C#CCCNC(=O)N[C@H]1C[C@H]2C[C@@H](C(=O)[O-])C[C@H]21	ZINC001588453593	983476603	/nfs/dbraw/zinc/47/66/03/983476603.db2.gz	FRYZLHZRVHNPNG-DBIOUOCHSA-N	-1	0	250.298	0.808	20	30		CCEDRM
C#CCCOc1ccc(C(=O)NC[C@H](O)CC(=O)[O-])cc1	ZINC001588455914	983480899	/nfs/dbraw/zinc/48/08/99/983480899.db2.gz	WRZWFWALLZPDKG-GFCCVEGCSA-N	-1	0	291.303	0.654	20	30		CCEDRM
C#CCN(C(=O)[C@@H]1C[C@H]1C(=O)[O-])C1CCN(CCF)CC1	ZINC001588459599	983484876	/nfs/dbraw/zinc/48/48/76/983484876.db2.gz	DMVNRCKVQKQDOV-CHWSQXEVSA-N	-1	0	296.342	0.603	20	30		CCEDRM
C#CCN(C)S(=O)(=O)c1ccc(C#N)cc1C(=O)[O-]	ZINC001588463612	983491818	/nfs/dbraw/zinc/49/18/18/983491818.db2.gz	FEOHVFHZFLLXBO-UHFFFAOYSA-N	-1	0	278.289	0.510	20	30		CCEDRM
C#CCN(CC(=O)NC(C)(C)C(=O)[O-])C(=O)OC(C)(C)C	ZINC001588465733	983496290	/nfs/dbraw/zinc/49/62/90/983496290.db2.gz	FCCSDNSFQKCIML-UHFFFAOYSA-N	-1	0	298.339	0.836	20	30		CCEDRM
C#CCN(CC)C(=O)N[C@H]1C[C@@H]2C[C@]2(C(=O)[O-])C1	ZINC001588468556	983500903	/nfs/dbraw/zinc/50/09/03/983500903.db2.gz	YXGVXYQTAFBQHS-NRUUGDAUSA-N	-1	0	250.298	0.904	20	30		CCEDRM
C#CCNC(=O)COC(=O)c1cc(C(=O)[O-])oc1C	ZINC001588484272	983523735	/nfs/dbraw/zinc/52/37/35/983523735.db2.gz	YJNQBGBSQXWTRL-UHFFFAOYSA-N	-1	0	265.221	0.192	20	30		CCEDRM
C#CCNCC(=O)Nc1ccc(CC(=O)[O-])c(F)c1	ZINC001588485231	983524496	/nfs/dbraw/zinc/52/44/96/983524496.db2.gz	JHSRMJLLPXFHKG-UHFFFAOYSA-N	-1	0	264.256	0.614	20	30		CCEDRM
C#CCOCCC(=O)N1C[C@@H](C(=O)[O-])[C@H](C2CC2)C1	ZINC001588489794	983529387	/nfs/dbraw/zinc/52/93/87/983529387.db2.gz	MDUJQCKKSAEAMR-NWDGAFQWSA-N	-1	0	265.309	0.596	20	30		CCEDRM
CCN([C@@H](C)C#N)S(=O)(=O)c1cc(C(=O)[O-])co1	ZINC001596177659	983546281	/nfs/dbraw/zinc/54/62/81/983546281.db2.gz	DFUAWOKNRAFTLF-ZETCQYMHSA-N	-1	0	272.282	0.900	20	30		CCEDRM
C#Cc1ccc(C(=O)N2CC(c3cc(C(=O)[O-])n[nH]3)C2)nc1	ZINC001588510460	983555810	/nfs/dbraw/zinc/55/58/10/983555810.db2.gz	DXIIJGLAMWAJMS-UHFFFAOYSA-N	-1	0	296.286	0.724	20	30		CCEDRM
C#Cc1cccc(NC(=O)CNc2ccnc(C(=O)[O-])n2)c1	ZINC001588523254	983572035	/nfs/dbraw/zinc/57/20/35/983572035.db2.gz	DSSMHXSQSCCSJV-UHFFFAOYSA-N	-1	0	296.286	0.629	20	30		CCEDRM
C#Cc1ccccc1CC(=O)N1C[C@H](O)C[C@@H](C(=O)[O-])C1	ZINC001588524902	983576658	/nfs/dbraw/zinc/57/66/58/983576658.db2.gz	YFHBQKWVRAXOJP-ZIAGYGMSSA-N	-1	0	287.315	0.504	20	30		CCEDRM
C=C(C)[C@H](CO)n1cc(CN2CCC[C@H]2C(=O)[O-])nn1	ZINC001588533842	983584365	/nfs/dbraw/zinc/58/43/65/983584365.db2.gz	APDCXYBNJXGPKE-RYUDHWBXSA-N	-1	0	280.328	0.437	20	30		CCEDRM
C=C(C)C[C@H](CO)NS(=O)(=O)c1cc(C(=O)[O-])co1	ZINC001588537382	983599406	/nfs/dbraw/zinc/59/94/06/983599406.db2.gz	OHODLJWGXWDHGH-SECBINFHSA-N	-1	0	289.309	0.583	20	30		CCEDRM
C=C(C)C[C@@H](NC(=O)Cc1nnc(C)[nH]1)C(=O)[O-]	ZINC001588543768	983612428	/nfs/dbraw/zinc/61/24/28/983612428.db2.gz	NLSJHMMRTMGHAP-MRVPVSSYSA-N	-1	0	252.274	0.191	20	30		CCEDRM
C=C(C)C[C@@H](NC(=O)c1ccc[n+]([O-])c1)C(=O)[O-]	ZINC001588548426	983623928	/nfs/dbraw/zinc/62/39/28/983623928.db2.gz	QLXVCSGURCTZJZ-SNVBAGLBSA-N	-1	0	250.254	0.469	20	30		CCEDRM
C=C(C)C[C@H](NS(=O)(=O)CCCC(=O)OC)C(=O)[O-]	ZINC001588553061	983627327	/nfs/dbraw/zinc/62/73/27/983627327.db2.gz	GMJGBHUUQQEVDY-VIFPVBQESA-N	-1	0	293.341	0.278	20	30		CCEDRM
C=C(C)C[C@H](Nc1nc2c(cnn2C)c(=O)[nH]1)C(=O)[O-]	ZINC001588554244	983629818	/nfs/dbraw/zinc/62/98/18/983629818.db2.gz	BPSNBDNMCVEDPN-QMMMGPOBSA-N	-1	0	277.284	0.900	20	30		CCEDRM
C=C(C)CS(=O)(=O)N(CC(F)F)[C@@H](C)C(=O)[O-]	ZINC001588576958	983654866	/nfs/dbraw/zinc/65/48/66/983654866.db2.gz	IXODTFFHAWSWAF-ZETCQYMHSA-N	-1	0	271.285	0.933	20	30		CCEDRM
C=C(C)CN1CC2(C1)CN(C(=O)[C@H]1C[C@H]1C(=O)[O-])CCO2	ZINC001588585656	983664094	/nfs/dbraw/zinc/66/40/94/983664094.db2.gz	SIWGPRCLAXBDBH-NWDGAFQWSA-N	-1	0	294.351	0.196	20	30		CCEDRM
C=C(C)Cn1c(CO)nnc1N1CC[C@@](F)(C(=O)[O-])C1	ZINC001588598156	983681877	/nfs/dbraw/zinc/68/18/77/983681877.db2.gz	SSBWHIRQQPTCLL-LBPRGKRZSA-N	-1	0	284.291	0.350	20	30		CCEDRM
C=C(CCC(=O)[O-])C(=O)N1CC(=O)N[C@H]2CCCC[C@@H]21	ZINC001588612321	983702664	/nfs/dbraw/zinc/70/26/64/983702664.db2.gz	MVVCRUMRGXMAGR-QWRGUYRKSA-N	-1	0	280.324	0.677	20	30		CCEDRM
C=C(CCC(=O)[O-])C(=O)N(CCOC)CCOC	ZINC001588612668	983703841	/nfs/dbraw/zinc/70/38/41/983703841.db2.gz	VJOJXYSZYUMRDI-UHFFFAOYSA-N	-1	0	259.302	0.529	20	30		CCEDRM
C=C(CCC(=O)[O-])C(=O)N1CCN[C@@H](c2cnn(C)c2)C1	ZINC001588615065	983709833	/nfs/dbraw/zinc/70/98/33/983709833.db2.gz	IWZQSGOHYQXAGZ-GFCCVEGCSA-N	-1	0	292.339	0.314	20	30		CCEDRM
C=C(CCC(=O)[O-])C(=O)N1CCN[C@H](c2cnn(C)c2)C1	ZINC001588615066	983709865	/nfs/dbraw/zinc/70/98/65/983709865.db2.gz	IWZQSGOHYQXAGZ-LBPRGKRZSA-N	-1	0	292.339	0.314	20	30		CCEDRM
C=C(CCC(=O)[O-])C(=O)N1CCc2n[nH]c(=O)cc2C1	ZINC001588619084	983714623	/nfs/dbraw/zinc/71/46/23/983714623.db2.gz	KORMZVNXBZRYMS-UHFFFAOYSA-N	-1	0	277.280	0.488	20	30		CCEDRM
C=C(CCC(=O)[O-])C(=O)N[C@@H]1C[C@@H](C)n2ncnc21	ZINC001588621959	983721374	/nfs/dbraw/zinc/72/13/74/983721374.db2.gz	MRUYRXSNWGJGGF-RKDXNWHRSA-N	-1	0	264.285	0.821	20	30		CCEDRM
C=C(CCC(=O)[O-])C(=O)NC1COC(C)(C)OC1	ZINC001588622999	983725879	/nfs/dbraw/zinc/72/58/79/983725879.db2.gz	ITJVBTNYIKHMQK-UHFFFAOYSA-N	-1	0	257.286	0.675	20	30		CCEDRM
C=C(CCC(=O)[O-])C(=O)NCCN1CCOC[C@H]1CC	ZINC001588624712	983734348	/nfs/dbraw/zinc/73/43/48/983734348.db2.gz	UBQZISHWNMJIMC-GFCCVEGCSA-N	-1	0	284.356	0.634	20	30		CCEDRM
C=C(CCC(=O)[O-])C(=O)Nc1ccc(OCC(N)=O)cc1	ZINC001588633056	983747139	/nfs/dbraw/zinc/74/71/39/983747139.db2.gz	ADSRNEFLYRXNMI-UHFFFAOYSA-N	-1	0	292.291	0.910	20	30		CCEDRM
C=C(CO)C(=O)Nc1cccc(OCC(=O)[O-])c1	ZINC001588637163	983758901	/nfs/dbraw/zinc/75/89/01/983758901.db2.gz	JDNOKKCZRQXSKB-UHFFFAOYSA-N	-1	0	251.238	0.637	20	30		CCEDRM
C=C(CO)C(=O)Nc1ccc(C(=O)[O-])cc1OCCOC	ZINC001588637214	983759454	/nfs/dbraw/zinc/75/94/54/983759454.db2.gz	KCMOKYCBHSTQOX-UHFFFAOYSA-N	-1	0	295.291	0.897	20	30		CCEDRM
C=C(CO)C(=O)N1C[C@H]2CCCC[C@@]2(C(=O)[O-])C1	ZINC001588637983	983761911	/nfs/dbraw/zinc/76/19/11/983761911.db2.gz	ZYHBRFLNJHCYHL-ZWNOBZJWSA-N	-1	0	253.298	0.638	20	30		CCEDRM
C=C[C@H](C(=O)[O-])N1Cc2cc(C(=O)OCC)nn2C[C@H]1C	ZINC001588669711	983814163	/nfs/dbraw/zinc/81/41/63/983814163.db2.gz	NWKCLVWDXHITPR-BXKDBHETSA-N	-1	0	293.323	0.903	20	30		CCEDRM
C=CC(C)(C)NS(=O)(=O)c1cc(C(=O)[O-])n(C)c1	ZINC001588681270	983839127	/nfs/dbraw/zinc/83/91/27/983839127.db2.gz	UWJIPEFHTJBHGG-UHFFFAOYSA-N	-1	0	272.326	0.966	20	30		CCEDRM
C=C[C@@](C)(O)C(=O)NCc1ccnc(C(=O)[O-])c1	ZINC001588681975	983842615	/nfs/dbraw/zinc/84/26/15/983842615.db2.gz	HFYXBXUGOUHDKC-GFCCVEGCSA-N	-1	0	250.254	0.333	20	30		CCEDRM
C=C[C@@](C)(O)CC(=O)N1CCC(C#N)(C(=O)[O-])CC1	ZINC001588684879	983864889	/nfs/dbraw/zinc/86/48/89/983864889.db2.gz	ZVEBTHVXZHNAJX-GFCCVEGCSA-N	-1	0	266.297	0.530	20	30		CCEDRM
C=C[C@H](COC)NS(=O)(=O)[C@H]1CCCC[C@@H]1C(=O)[O-]	ZINC001588692754	983886352	/nfs/dbraw/zinc/88/63/52/983886352.db2.gz	JFUTZNVOEHTHAQ-VWYCJHECSA-N	-1	0	291.369	0.750	20	30		CCEDRM
C=C[C@@H](N[C@@H](Cc1cncs1)C(=O)OC)C(=O)[O-]	ZINC001588696152	983902507	/nfs/dbraw/zinc/90/25/07/983902507.db2.gz	MCSHHVOUVFHLHT-BDAKNGLRSA-N	-1	0	270.310	0.456	20	30		CCEDRM
C=C[C@H](O)C(=O)OCC(=O)c1cc(C(=O)[O-])co1	ZINC001588704281	983923702	/nfs/dbraw/zinc/92/37/02/983923702.db2.gz	DHHLTQOAHBLYQO-ZETCQYMHSA-N	-1	0	254.194	0.251	20	30		CCEDRM
C=C[C@@H](OC(=O)[C@H]1COCCN1CC(F)(F)F)C(=O)[O-]	ZINC001588710862	983934252	/nfs/dbraw/zinc/93/42/52/983934252.db2.gz	JGSKGUHFTJZHNX-HTQZYQBOSA-N	-1	0	297.229	0.432	20	30		CCEDRM
C=C[C@@H](OC(=O)Cc1nc(C2CC2)nn1C)C(=O)[O-]	ZINC001588710954	983935088	/nfs/dbraw/zinc/93/50/88/983935088.db2.gz	KMXRGWDNGLBANB-MRVPVSSYSA-N	-1	0	265.269	0.417	20	30		CCEDRM
C=C[C@H](OC(=O)CCNC(=O)c1ccco1)C(=O)[O-]	ZINC001588710881	983935130	/nfs/dbraw/zinc/93/51/30/983935130.db2.gz	JPKLIFXBYBLXMH-QMMMGPOBSA-N	-1	0	267.237	0.582	20	30		CCEDRM
C=CC[C@@H](C(=O)[O-])N1CC[C@@H](C)S(=O)(=O)CC1	ZINC001588730171	983996627	/nfs/dbraw/zinc/99/66/27/983996627.db2.gz	WVMYAGNSFPRXAQ-ZJUUUORDSA-N	-1	0	261.343	0.525	20	30		CCEDRM
C=CCC(C)(C)C(=O)N[C@H](CC1OCCO1)C(=O)[O-]	ZINC001588732028	984015170	/nfs/dbraw/zinc/01/51/70/984015170.db2.gz	UQUPBVVPIYURQQ-SECBINFHSA-N	-1	0	271.313	0.921	20	30		CCEDRM
C=CC[C@H](C)NC(=O)N1CC[C@@H](n2cc(C(=O)[O-])nn2)C1	ZINC001588736045	984022588	/nfs/dbraw/zinc/02/25/88/984022588.db2.gz	CLXHVOOYUSHQDF-VHSXEESVSA-N	-1	0	293.327	0.897	20	30		CCEDRM
C=CC[C@H](CO)CNS(=O)(=O)CC(C)(C)C(=O)[O-]	ZINC001588737900	984030574	/nfs/dbraw/zinc/03/05/74/984030574.db2.gz	UWLBHPJVASGWGT-VIFPVBQESA-N	-1	0	279.358	0.201	20	30		CCEDRM
C=CC[C@H](NC(=O)Cn1ccc(C(=O)[O-])n1)C(=O)OCC	ZINC001588742439	984032951	/nfs/dbraw/zinc/03/29/51/984032951.db2.gz	CYDXTBYZLIDWHG-JTQLQIEISA-N	-1	0	295.295	0.205	20	30		CCEDRM
C=CC[C@@H](OC(=O)[C@@H](C)CS(C)(=O)=O)C(=O)[O-]	ZINC001588752360	984081156	/nfs/dbraw/zinc/08/11/56/984081156.db2.gz	WJMRFCPCZFLNFZ-JGVFFNPUSA-N	-1	0	264.299	0.240	20	30		CCEDRM
C=CC[C@@H](OC(=O)[C@@H]1CCc2nncn2CC1)C(=O)[O-]	ZINC001588753535	984087129	/nfs/dbraw/zinc/08/71/29/984087129.db2.gz	JDINYADBHLWBRX-NXEZZACHSA-N	-1	0	279.296	0.803	20	30		CCEDRM
C=CC[C@@H](OC(=O)c1ccc(C(=O)NC)nc1)C(=O)[O-]	ZINC001588757043	984100793	/nfs/dbraw/zinc/10/07/93/984100793.db2.gz	SXBIKIIVXGRKAF-SNVBAGLBSA-N	-1	0	278.264	0.627	20	30		CCEDRM
C=CC[C@@H](SC[C@H](NC(C)=O)C(=O)[O-])C(=O)OC	ZINC001588758432	984106065	/nfs/dbraw/zinc/10/60/65/984106065.db2.gz	GFTCVRRUDMLJBD-DTWKUNHWSA-N	-1	0	275.326	0.427	20	30		CCEDRM
C=CC[C@H](OC(=O)c1cn(C)nc1OC)C(=O)[O-]	ZINC001588758741	984107337	/nfs/dbraw/zinc/10/73/37/984107337.db2.gz	JEAPVTFORSAZPK-QMMMGPOBSA-N	-1	0	254.242	0.615	20	30		CCEDRM
C=CCCC(=O)NC[C@H]1C[C@H](NC(=O)[C@@H]2C[C@H]2C(=O)[O-])C1	ZINC001588776864	984154154	/nfs/dbraw/zinc/15/41/54/984154154.db2.gz	LAMAQPYBGKHEIW-DDHJBXDOSA-N	-1	0	294.351	0.684	20	30		CCEDRM
C=CCC[C@H](CO)NC(=O)Nc1nn(C)cc1C(=O)[O-]	ZINC001588777482	984156429	/nfs/dbraw/zinc/15/64/29/984156429.db2.gz	AQWXTQLGUQGZRW-MRVPVSSYSA-N	-1	0	282.300	0.567	20	30		CCEDRM
C=CCC[C@H](CO)NS(=O)(=O)CC1(C(=O)[O-])CC1	ZINC001588778200	984159974	/nfs/dbraw/zinc/15/99/74/984159974.db2.gz	XMRDWLPZDBMSSW-SECBINFHSA-N	-1	0	277.342	0.098	20	30		CCEDRM
C=CCC[C@@H](O)CN[C@H](C(=O)[O-])c1ccnn1C	ZINC001588778744	984162550	/nfs/dbraw/zinc/16/25/50/984162550.db2.gz	KXRRGECTRCVYST-KOLCDFICSA-N	-1	0	253.302	0.463	20	30		CCEDRM
C=CCCC[C@@H](NC(=O)[C@H](C)S(C)(=O)=O)C(=O)[O-]	ZINC001588785940	984182438	/nfs/dbraw/zinc/18/24/38/984182438.db2.gz	KSTKBEOCYLGNFY-DTWKUNHWSA-N	-1	0	277.342	0.345	20	30		CCEDRM
C=CCCC[C@@H](NC(=O)[C@@H](C)CC(N)=O)C(=O)[O-]	ZINC001588787627	984188010	/nfs/dbraw/zinc/18/80/10/984188010.db2.gz	WZULZZXZBSADMU-DTWKUNHWSA-N	-1	0	256.302	0.424	20	30		CCEDRM
C=CCCC[C@H](NC(=O)c1[nH]c(=O)[nH]c1C)C(=O)[O-]	ZINC001588794521	984228107	/nfs/dbraw/zinc/22/81/07/984228107.db2.gz	XFCZXFRCPMONGU-QMMMGPOBSA-N	-1	0	267.285	0.963	20	30		CCEDRM
C=CCCC[C@@H](NS(=O)(=O)c1cn(C)cn1)C(=O)[O-]	ZINC001588798419	984235856	/nfs/dbraw/zinc/23/58/56/984235856.db2.gz	FDFFZNIHCIODMY-SECBINFHSA-N	-1	0	287.341	0.508	20	30		CCEDRM
C=CCCCNC(=O)N1CC[C@@H](n2cc(C(=O)[O-])nn2)C1	ZINC001588803647	984251419	/nfs/dbraw/zinc/25/14/19/984251419.db2.gz	ADDVYKVJOKRZRP-SNVBAGLBSA-N	-1	0	293.327	0.899	20	30		CCEDRM
C=CCCOCCNC(=O)C(=O)N1CCC[C@H]1CC(=O)[O-]	ZINC001588810371	984266902	/nfs/dbraw/zinc/26/69/02/984266902.db2.gz	LFTRXOXMQVWQKM-NSHDSACASA-N	-1	0	298.339	0.161	20	30		CCEDRM
C=CCCOCCn1nnnc1N1CC[C@H](C(=O)[O-])[C@H]1C	ZINC001588813372	984269630	/nfs/dbraw/zinc/26/96/30/984269630.db2.gz	QGVIEMPIAFILNE-MNOVXSKESA-N	-1	0	295.343	0.565	20	30		CCEDRM
C=CCN(CC=C)C(=O)[C@H](C)N1C[C@@H](C)O[C@H](C(=O)[O-])C1	ZINC001588825189	984298850	/nfs/dbraw/zinc/29/88/50/984298850.db2.gz	FZIHAWINYGUJAZ-AGIUHOORSA-N	-1	0	296.367	0.749	20	30		CCEDRM
C=CCN(CC=C)C(=O)C(=O)N[C@@H]1CC=C(C(=O)[O-])C1	ZINC001588825607	984301667	/nfs/dbraw/zinc/30/16/67/984301667.db2.gz	UYOLZRQNCOIFNR-LLVKDONJSA-N	-1	0	278.308	0.477	20	30		CCEDRM
C=CCN(CCOC)c1cc(C)nc2nc(C(=O)[O-])nn21	ZINC001588828567	984306795	/nfs/dbraw/zinc/30/67/95/984306795.db2.gz	BAJKQTSBOBRUKI-UHFFFAOYSA-N	-1	0	291.311	0.770	20	30		CCEDRM
C=CCN1C(=O)C(=O)N(Cc2ccc(C(=O)[O-])o2)C1=O	ZINC001588832631	984324185	/nfs/dbraw/zinc/32/41/85/984324185.db2.gz	SYAUVZJVMBSDAE-UHFFFAOYSA-N	-1	0	278.220	0.455	20	30		CCEDRM
C=CCN1CC[C@H](OC(=O)c2occc2C(=O)[O-])C1=O	ZINC001588839197	984345173	/nfs/dbraw/zinc/34/51/73/984345173.db2.gz	OPCJKXPFXPSYOP-VIFPVBQESA-N	-1	0	279.248	0.922	20	30		CCEDRM
C=CCN1CC[C@H](OC(=O)c2ccc(C(=O)[O-])[nH]2)C1=O	ZINC001588839511	984347746	/nfs/dbraw/zinc/34/77/46/984347746.db2.gz	SNOACLMVHQIRLW-JTQLQIEISA-N	-1	0	278.264	0.657	20	30		CCEDRM
C=CCNC(=O)[C@H](C)S(=O)(=O)CC(C)(C)C(=O)[O-]	ZINC001588839894	984350874	/nfs/dbraw/zinc/35/08/74/984350874.db2.gz	XMMWXQQPIWJCQT-QMMMGPOBSA-N	-1	0	277.342	0.203	20	30		CCEDRM
C=CCN1CC[C@@H](N(C)c2nccc(C(=O)[O-])n2)C1=O	ZINC001588839980	984351505	/nfs/dbraw/zinc/35/15/05/984351505.db2.gz	YIXNVDGMUUHMTL-SNVBAGLBSA-N	-1	0	276.296	0.398	20	30		CCEDRM
C=CCO[C@@H]1CCN(Cn2cc(C(=O)[O-])nn2)C1	ZINC001588850142	984379344	/nfs/dbraw/zinc/37/93/44/984379344.db2.gz	ZCQYWBAISSDZCC-SECBINFHSA-N	-1	0	252.274	0.211	20	30		CCEDRM
C=CCOC[C@@H](NC(=O)C(=O)C(C)(C)CC)C(=O)[O-]	ZINC001588851119	984383222	/nfs/dbraw/zinc/38/32/22/984383222.db2.gz	VOQSYWFTOLXGCB-SECBINFHSA-N	-1	0	271.313	0.764	20	30		CCEDRM
C=CCOC[C@H](NC(=O)CCc1cscn1)C(=O)[O-]	ZINC001588854222	984389410	/nfs/dbraw/zinc/38/94/10/984389410.db2.gz	ROLZGAUIJDZAMZ-JTQLQIEISA-N	-1	0	284.337	0.848	20	30		CCEDRM
C=CCOC[C@@H](NC(=O)/C=C\c1cncc(O)c1)C(=O)[O-]	ZINC001588854337	984390098	/nfs/dbraw/zinc/39/00/98/984390098.db2.gz	WRYHQAKIPXOSFT-VSQXVHSFSA-N	-1	0	292.291	0.572	20	30		CCEDRM
C=CCOC[C@H](NC(=O)[C@@H](C)n1cccc1)C(=O)[O-]	ZINC001588855442	984392627	/nfs/dbraw/zinc/39/26/27/984392627.db2.gz	GWOMJBUZSLKYRF-MNOVXSKESA-N	-1	0	266.297	0.821	20	30		CCEDRM
C=CCOC[C@H](NC(=O)[C@H]1CCN1C(C)(C)C)C(=O)[O-]	ZINC001588855668	984394552	/nfs/dbraw/zinc/39/45/52/984394552.db2.gz	NNHDLISIZFSYJD-WDEREUQCSA-N	-1	0	284.356	0.631	20	30		CCEDRM
C=CCOC[C@@H](NC(=O)[C@@H]1CCCCN1C(C)=O)C(=O)[O-]	ZINC001588856115	984397265	/nfs/dbraw/zinc/39/72/65/984397265.db2.gz	VGOOFIAXFKHKEN-NEPJUHHUSA-N	-1	0	298.339	0.159	20	30		CCEDRM
C=CCOC[C@H](NC(=O)c1cnc2[nH]ccc2c1)C(=O)[O-]	ZINC001588859902	984409207	/nfs/dbraw/zinc/40/92/07/984409207.db2.gz	ARTRBAAHPXEMRE-NSHDSACASA-N	-1	0	289.291	0.900	20	30		CCEDRM
C=CCOC[C@@H](NC(=O)c1ccc(O)cn1)C(=O)[O-]	ZINC001588862220	984417381	/nfs/dbraw/zinc/41/73/81/984417381.db2.gz	SANVKZZJHZMOPC-SNVBAGLBSA-N	-1	0	266.253	0.173	20	30		CCEDRM
C=CCOC[C@@H](NC(=O)c1ccc(F)nc1)C(=O)[O-]	ZINC001588862241	984418030	/nfs/dbraw/zinc/41/80/30/984418030.db2.gz	SRPMRVXBNZUMAJ-SECBINFHSA-N	-1	0	268.244	0.606	20	30		CCEDRM
C=CCOCc1nnc(N2C[C@H](C)O[C@H](C(=O)[O-])C2)n1C	ZINC001588868609	984434190	/nfs/dbraw/zinc/43/41/90/984434190.db2.gz	MPNHWHYAIWHWKS-UWVGGRQHSA-N	-1	0	296.327	0.196	20	30		CCEDRM
C=CCn1c(CCC)nnc1N1CCO[C@H](C(=O)[O-])C1	ZINC001588898454	984518707	/nfs/dbraw/zinc/51/87/07/984518707.db2.gz	YPEGADMTZLITMZ-JTQLQIEISA-N	-1	0	280.328	0.706	20	30		CCEDRM
C=CCn1cc(CNC(=O)c2cc(C)c(C(=O)[O-])o2)nn1	ZINC001588909389	984543359	/nfs/dbraw/zinc/54/33/59/984543359.db2.gz	RWXJNCOLDWYIQI-UHFFFAOYSA-N	-1	0	290.279	0.994	20	30		CCEDRM
C=CCn1nnn(CN2C[C@@H](C)O[C@H](C(=O)[O-])C2)c1=S	ZINC001588912580	984552304	/nfs/dbraw/zinc/55/23/04/984552304.db2.gz	KMXJBGYODCRQDY-BDAKNGLRSA-N	-1	0	299.356	0.126	20	30		CCEDRM
C=C[C@@H]1OCC[C@H]1CNC(=O)NC[C@H](F)C(=O)[O-]	ZINC001588917860	984567491	/nfs/dbraw/zinc/56/74/91/984567491.db2.gz	FIWFNISHPSGMPO-CIUDSAMLSA-N	-1	0	260.265	0.299	20	30		CCEDRM
C=C[C@@H]1OCC[C@H]1NS(=O)(=O)c1cc(C(=O)[O-])co1	ZINC001588920379	984577419	/nfs/dbraw/zinc/57/74/19/984577419.db2.gz	XOXSCOSRMXXGSN-BDAKNGLRSA-N	-1	0	287.293	0.600	20	30		CCEDRM
CC#CC(=O)N1CC[C@H](C(=O)[O-])C[C@H]1[C@H]1CCCO1	ZINC001588926334	984593105	/nfs/dbraw/zinc/59/31/05/984593105.db2.gz	SFCMIGXFNFWRSM-SDDRHHMPSA-N	-1	0	265.309	0.881	20	30		CCEDRM
C[C@H]1CN(C(=O)c2ccc(C#N)o2)CCN1CCC(=O)[O-]	ZINC001594493677	985617019	/nfs/dbraw/zinc/61/70/19/985617019.db2.gz	WMTWQCQHNWDFMM-JTQLQIEISA-N	-1	0	291.307	0.772	20	30		CCEDRM
C[C@H](C#N)CNC(=O)N1C[C@@H](C)[C@H](CC(=O)[O-])C1	ZINC001589330661	986175651	/nfs/dbraw/zinc/17/56/51/986175651.db2.gz	MOPDEOBABXMLHH-OPRDCNLKSA-N	-1	0	253.302	0.898	20	30		CCEDRM
C[C@H](C#N)CNS(=O)(=O)CC1(C(=O)[O-])CCCC1	ZINC001589330672	986177349	/nfs/dbraw/zinc/17/73/49/986177349.db2.gz	MWFZOVJWTDNAFM-SECBINFHSA-N	-1	0	274.342	0.710	20	30		CCEDRM
C[C@H](C#N)OCCOC(=O)C12CC(C(=O)[O-])(C1)C2	ZINC001589331883	986193572	/nfs/dbraw/zinc/19/35/72/986193572.db2.gz	RXAXAHLKOUGTBU-HUUUCTMMSA-N	-1	0	253.254	0.713	20	30		CCEDRM
C[C@@H](C#N)N(C(=O)Cn1cccc(C(=O)[O-])c1=O)C1CC1	ZINC001589332086	986197186	/nfs/dbraw/zinc/19/71/86/986197186.db2.gz	XNEBQMGFYQOYLO-VIFPVBQESA-N	-1	0	289.291	0.450	20	30		CCEDRM
C[C@@H]1CN(c2ccc(C(=O)[O-])nn2)C[C@@H](C)N1CC#N	ZINC001594568139	986367948	/nfs/dbraw/zinc/36/79/48/986367948.db2.gz	JUKOPMPTVVLXOM-NXEZZACHSA-N	-1	0	275.312	0.597	20	30		CCEDRM
C[C@H](C(=O)N[C@H](CC(C)(C)C)C(=O)[O-])n1cnc(C#N)n1	ZINC001589384825	986471499	/nfs/dbraw/zinc/47/14/99/986471499.db2.gz	ALSWDDUXBMPQPJ-RKDXNWHRSA-N	-1	0	293.327	0.716	20	30		CCEDRM
CC[C@@H](C#N)C(=O)N[C@@]1(CC(=O)[O-])CCCOC1	ZINC001594722036	987208072	/nfs/dbraw/zinc/20/80/72/987208072.db2.gz	HPQZIHCYNZBWRR-JOYOIKCWSA-N	-1	0	254.286	0.676	20	30		CCEDRM
C[C@H](C(=O)[O-])n1cccc1C=NN1CCOC1=O	ZINC001589540563	987244784	/nfs/dbraw/zinc/24/47/84/987244784.db2.gz	ZGKYMRJDXMKSAA-MRVPVSSYSA-N	-1	0	251.242	0.920	20	30		CCEDRM
CC(C)(C#N)C(=O)N1CC[C@]2(CC(C(=O)[O-])=NO2)C1	ZINC001589553682	987292685	/nfs/dbraw/zinc/29/26/85/987292685.db2.gz	GHGKXXLNCBOQQC-LBPRGKRZSA-N	-1	0	265.269	0.368	20	30		CCEDRM
CC(C)(C#N)CNC(=O)C(=O)Nc1cccc(C(=O)[O-])n1	ZINC001589554644	987302366	/nfs/dbraw/zinc/30/23/66/987302366.db2.gz	IQHYGKUTKQTDQV-UHFFFAOYSA-N	-1	0	290.279	0.384	20	30		CCEDRM
CC(C)(C)C#CC(=O)N1CC[C@@]2(CC(C(=O)[O-])=NO2)C1	ZINC001589681699	987714145	/nfs/dbraw/zinc/71/41/45/987714145.db2.gz	ADBVABKYYLOUBE-CQSZACIVSA-N	-1	0	278.308	0.868	20	30		CCEDRM
CC(C)(C)C#CC(=O)N[C@H](Cc1c[nH]cn1)C(=O)[O-]	ZINC001589684290	987720890	/nfs/dbraw/zinc/72/08/90/987720890.db2.gz	CMBLNJUKHOHGKQ-SNVBAGLBSA-N	-1	0	263.297	0.571	20	30		CCEDRM
CCc1cc(C(=O)N(CC#N)CCC(=O)[O-])[nH]n1	ZINC001597427296	987755829	/nfs/dbraw/zinc/75/58/29/987755829.db2.gz	VUCVQLJDBLOLIQ-UHFFFAOYSA-N	-1	0	250.258	0.413	20	30		CCEDRM
CCc1ccc(C#CC(=O)N[C@@H](CO)C(=O)[O-])cc1	ZINC001597495027	988040333	/nfs/dbraw/zinc/04/03/33/988040333.db2.gz	OTSITJFTIKULFM-LBPRGKRZSA-N	-1	0	261.277	0.162	20	30		CCEDRM
CC(C)(C)OC(=O)N1CC2(C1)CN(CC#N)C[C@@H]2C(=O)[O-]	ZINC001589946970	988735507	/nfs/dbraw/zinc/73/55/07/988735507.db2.gz	CLRGOTLNHXDMRV-SNVBAGLBSA-N	-1	0	295.339	0.763	20	30		CCEDRM
CCc1nn(C)cc1C(=O)N(CC#N)CC(=O)[O-]	ZINC001597717745	988988425	/nfs/dbraw/zinc/98/84/25/988988425.db2.gz	HEPNTZQXIDOBSJ-UHFFFAOYSA-N	-1	0	250.258	0.033	20	30		CCEDRM
C[C@@H]1C[C@H](C(=O)NC2(C#N)CCCC2)O[C@H]1C(=O)[O-]	ZINC001599874161	989396460	/nfs/dbraw/zinc/39/64/60/989396460.db2.gz	YBXWBYABZCSYLT-OPRDCNLKSA-N	-1	0	266.297	0.817	20	30		CCEDRM
C[C@@H]1C[C@H](C(=O)OCc2ccncc2C#N)O[C@H]1C(=O)[O-]	ZINC001599879512	989464622	/nfs/dbraw/zinc/46/46/22/989464622.db2.gz	VDOSBSKAGUQWPY-GGZOMVNGSA-N	-1	0	290.275	0.875	20	30		CCEDRM
CC(C)(C)OC(=O)N[C@H]1C[C@H]1C(=O)N(CC#N)CC(=O)[O-]	ZINC001590297980	989726184	/nfs/dbraw/zinc/72/61/84/989726184.db2.gz	XENXPFIOGUDZKS-BDAKNGLRSA-N	-1	0	297.311	0.336	20	30		CCEDRM
CCn1ncn(N=Cc2ccc(C(=O)[O-])c(C)c2)c1=O	ZINC001597968571	990014406	/nfs/dbraw/zinc/01/44/06/990014406.db2.gz	ZTYWANZNYKXQAJ-UHFFFAOYSA-N	-1	0	274.280	0.954	20	30		CCEDRM
CC(C)(C)n1cc(CN(CC#N)CCC(=O)[O-])nn1	ZINC001590593412	990244761	/nfs/dbraw/zinc/24/47/61/990244761.db2.gz	IADCSJYTVFTXET-UHFFFAOYSA-N	-1	0	265.317	0.833	20	30		CCEDRM
CC(C)(C)n1nnnc1N1CCC(C#N)(C(=O)[O-])CC1	ZINC001590614936	990284954	/nfs/dbraw/zinc/28/49/54/990284954.db2.gz	BOAKLATUGKSKJG-UHFFFAOYSA-N	-1	0	278.316	0.623	20	30		CCEDRM
CC(C)(CC#N)CNC(=O)N1C[C@H](O)C[C@@H](C(=O)[O-])C1	ZINC001590615215	990288248	/nfs/dbraw/zinc/28/82/48/990288248.db2.gz	OJRNLGSWPXBTED-NXEZZACHSA-N	-1	0	283.328	0.403	20	30		CCEDRM
CC(C)(CC(=O)[O-])CC(=O)N1CC[C@@](O)(CC#N)C1	ZINC001590626530	990315815	/nfs/dbraw/zinc/31/58/15/990315815.db2.gz	XWDSKOIHZHNATB-ZDUSSCGKSA-N	-1	0	268.313	0.754	20	30		CCEDRM
CN(C)C(=O)OCn1cc(C(=O)[O-])cc(C#N)c1=O	ZINC001598145496	990616670	/nfs/dbraw/zinc/61/66/70/990616670.db2.gz	ORIPINWFVHTDJZ-UHFFFAOYSA-N	-1	0	265.225	0.074	20	30		CCEDRM
CC(C)C#CC(=O)NC[C@@H](C(=O)[O-])[C@@H]1CCOC1	ZINC001590927746	990936355	/nfs/dbraw/zinc/93/63/55/990936355.db2.gz	KIRYQSOLICHQDC-GHMZBOCLSA-N	-1	0	253.298	0.499	20	30		CCEDRM
CC(C)C[C@@H](NC(=O)Cn1cccc(C#N)c1=O)C(=O)[O-]	ZINC001591178936	991978960	/nfs/dbraw/zinc/97/89/60/991978960.db2.gz	YOZPUEVAFRLBGR-LLVKDONJSA-N	-1	0	291.307	0.335	20	30		CCEDRM
CN(CCN1CCCC1=O)c1ccc(C(=O)[O-])nc1C#N	ZINC001598487774	992230691	/nfs/dbraw/zinc/23/06/91/992230691.db2.gz	HXVPUJMLTOHIDK-UHFFFAOYSA-N	-1	0	288.307	0.710	20	30		CCEDRM
CC(C)CN(CCC#N)CN1C[C@@H](C(=O)[O-])OC1=O	ZINC001591322276	992292941	/nfs/dbraw/zinc/29/29/41/992292941.db2.gz	VLJROHIUTNDQRF-JTQLQIEISA-N	-1	0	269.301	0.721	20	30		CCEDRM
CC(C)COC[C@@H](O)Cn1cc(C(=O)[O-])cc(C#N)c1=O	ZINC001591390057	992439687	/nfs/dbraw/zinc/43/96/87/992439687.db2.gz	KTJZWHRDXBVPIP-LBPRGKRZSA-N	-1	0	294.307	0.452	20	30		CCEDRM
CC(C)NC(=O)[C@@H](C#N)C(=O)[C@H]1C[C@@H](C(=O)[O-])C1	ZINC001591635124	992943534	/nfs/dbraw/zinc/94/35/34/992943534.db2.gz	LHCSQPUGNZFZQB-YIZRAAEISA-N	-1	0	252.270	0.331	20	30		CCEDRM
CN1CC[C@@H](ON=Cc2ccc(C(=O)[O-])cc2)C1=O	ZINC001598587992	993411667	/nfs/dbraw/zinc/41/16/67/993411667.db2.gz	LFCKJRWHLLRITP-LLVKDONJSA-N	-1	0	262.265	0.966	20	30		CCEDRM
C[C@@H](Sc1ccccc1C(=O)N[C@H](C#N)CO)C(=O)[O-]	ZINC001593668674	996065762	/nfs/dbraw/zinc/06/57/62/996065762.db2.gz	HJSWURRMEYYGGO-RKDXNWHRSA-N	-1	0	294.332	0.866	20	30		CCEDRM
COC(=O)[C@@H]1CN(C(=O)C#CC(C)(C)C)C[C@H]1C(=O)[O-]	ZINC001598804184	996168457	/nfs/dbraw/zinc/16/84/57/996168457.db2.gz	STHIWKJDPUHCNC-NXEZZACHSA-N	-1	0	281.308	0.368	20	30		CCEDRM
C[C@@]1(C#N)CCN(S(=O)(=O)[C@H]2CC[C@@H](C(=O)[O-])C2)C1	ZINC001593743000	996364410	/nfs/dbraw/zinc/36/44/10/996364410.db2.gz	LWJGMHIXFXIYSK-SCVCMEIPSA-N	-1	0	286.353	0.805	20	30		CCEDRM
CC1(C#N)CCN(Cn2nc(C(=O)[O-])ccc2=O)CC1	ZINC001593743053	996364952	/nfs/dbraw/zinc/36/49/52/996364952.db2.gz	ODUVWVAECXYVCY-UHFFFAOYSA-N	-1	0	276.296	0.525	20	30		CCEDRM
C[C@@]1(C#N)CCN(C(=O)NC[C@H]2CCO[C@H]2C(=O)[O-])C1	ZINC001593743248	996366625	/nfs/dbraw/zinc/36/66/25/996366625.db2.gz	ULSRUDDVTQBAHO-BREBYQMCSA-N	-1	0	281.312	0.421	20	30		CCEDRM
C[C@@]1(C#N)CN(C(=O)CC[C@@H]2C[C@H](C(=O)[O-])CO2)CCO1	ZINC001593743717	996370936	/nfs/dbraw/zinc/37/09/36/996370936.db2.gz	ZTCAVPVRJHWIER-MISXGVKJSA-N	-1	0	296.323	0.397	20	30		CCEDRM
CC1(C)C[C@]1(C#N)NS(=O)(=O)c1n[nH]cc1C(=O)[O-]	ZINC001593863050	996661817	/nfs/dbraw/zinc/66/18/17/996661817.db2.gz	BCDDDYOQVHHELR-SNVBAGLBSA-N	-1	0	284.297	0.078	20	30		CCEDRM
CC1(C)C[C@@]1(C#N)NS(=O)(=O)c1n[nH]cc1C(=O)[O-]	ZINC001593863048	996661850	/nfs/dbraw/zinc/66/18/50/996661850.db2.gz	BCDDDYOQVHHELR-JTQLQIEISA-N	-1	0	284.297	0.078	20	30		CCEDRM
CC1(C)CC[C@@H](C(=O)N(CC#N)CCC(=O)[O-])O1	ZINC001593871580	996684492	/nfs/dbraw/zinc/68/44/92/996684492.db2.gz	ZIELJXVSYNMPDM-VIFPVBQESA-N	-1	0	254.286	0.771	20	30		CCEDRM
CC1(C)OC[C@@H]2C[C@@]21C(=O)N(CC#N)CCC(=O)[O-]	ZINC001593977016	997173475	/nfs/dbraw/zinc/17/34/75/997173475.db2.gz	LIPLFQFBBBISAJ-ZANVPECISA-N	-1	0	266.297	0.628	20	30		CCEDRM
COCC[C@](C)(C#N)NC(=O)c1cc(C(=O)[O-])ccn1	ZINC001599207933	997444937	/nfs/dbraw/zinc/44/49/37/997444937.db2.gz	VVKBZWGZZMURAH-CYBMUJFWSA-N	-1	0	277.280	0.828	20	30		CCEDRM
CON=CC(=O)N1C[C@H](C(=O)[O-])[C@@H](c2ccccc2)C1	ZINC001599319431	997555010	/nfs/dbraw/zinc/55/50/10/997555010.db2.gz	AFKDSEHZRJOFJG-NEPJUHHUSA-N	-1	0	276.292	0.945	20	30		CCEDRM
COC(=O)c1cc(C(=O)[O-])nn1CCOCCC#N	ZINC001598924610	997631257	/nfs/dbraw/zinc/63/12/57/997631257.db2.gz	DSWIQNXRXJNXOG-UHFFFAOYSA-N	-1	0	267.241	0.298	20	30		CCEDRM
CO[C@H](C)CNS(=O)(=O)c1ccc(C#N)cc1C(=O)[O-]	ZINC001599325423	997655278	/nfs/dbraw/zinc/65/52/78/997655278.db2.gz	YWWAVCWLSMVQSO-MRVPVSSYSA-N	-1	0	298.320	0.570	20	30		CCEDRM
COCCN(CC#N)C(=O)c1ccc(C(=O)[O-])nc1	ZINC001599231421	997864065	/nfs/dbraw/zinc/86/40/65/997864065.db2.gz	SVLPEEZZWJACRT-UHFFFAOYSA-N	-1	0	263.253	0.392	20	30		CCEDRM
COCCN(CCC#N)C(=O)[C@@H]1CC[C@H](CCC(=O)[O-])O1	ZINC001599235829	997944712	/nfs/dbraw/zinc/94/47/12/997944712.db2.gz	TVVARLMEPSKCJN-NEPJUHHUSA-N	-1	0	298.339	0.787	20	30		CCEDRM
COc1cc(C#N)cc(OCC(=O)NCC(=O)[O-])c1	ZINC001599349053	998061574	/nfs/dbraw/zinc/06/15/74/998061574.db2.gz	HNLAWUMLAIRHGT-UHFFFAOYSA-N	-1	0	264.237	0.146	20	30		CCEDRM
COCC#CC(=O)N[C@@H](Cc1ccc(F)cc1)C(=O)[O-]	ZINC001599137918	998074778	/nfs/dbraw/zinc/07/47/78/998074778.db2.gz	FNKDCTGEWCJHDK-LBPRGKRZSA-N	-1	0	279.267	0.587	20	30		CCEDRM
COCC#CC(=O)Nc1cc(C)c(C(=O)[O-])c(C)n1	ZINC001599139356	998099804	/nfs/dbraw/zinc/09/98/04/998099804.db2.gz	VPSHYYZSALZUHN-UHFFFAOYSA-N	-1	0	262.265	0.985	20	30		CCEDRM
COC[C@@](C)(C#N)NC(=O)c1oc(C(=O)[O-])cc1C	ZINC001599143966	998179664	/nfs/dbraw/zinc/17/96/64/998179664.db2.gz	NPPSUJRSHNPTSI-GFCCVEGCSA-N	-1	0	266.253	0.945	20	30		CCEDRM
COC[C@H](C)NN=Cc1cc(C(=O)[O-])c(C)n1C	ZINC001599159453	998431025	/nfs/dbraw/zinc/43/10/25/998431025.db2.gz	JTSKNQIHQNZTTC-QMMMGPOBSA-N	-1	0	253.302	0.990	20	30		CCEDRM
C[C@@H]1[C@H](C(=O)[O-])CCN1C(=O)c1cc(C#N)ccn1	ZINC001594158643	998587504	/nfs/dbraw/zinc/58/75/04/998587504.db2.gz	KUSSRIHZPMHNKM-PSASIEDQSA-N	-1	0	259.265	0.888	20	30		CCEDRM
COC[C@H](NC(=O)COc1cccc(C#N)c1)C(=O)[O-]	ZINC001599169387	998590029	/nfs/dbraw/zinc/59/00/29/998590029.db2.gz	WQXNOAREQHXCDT-NSHDSACASA-N	-1	0	278.264	0.153	20	30		CCEDRM
C[C@H]1CN(C(=O)NC2CC(C(=O)[O-])C2)C[C@H](C)N1CC#N	ZINC001594470497	999701954	/nfs/dbraw/zinc/70/19/54/999701954.db2.gz	KYEFTFUOZXEAFG-JYBOHDQNSA-N	-1	0	294.355	0.477	20	30		CCEDRM
N#CCc1cccc(C(=O)NCCOCC(=O)[O-])c1	ZINC000600868711	362083338	/nfs/dbraw/zinc/08/33/38/362083338.db2.gz	JCIZADFWBFQHFJ-UHFFFAOYSA-N	-1	0	262.265	0.584	20	30		CCEDRM
C[C@H](CN(C)C(=O)C1(C#N)CC2(CC2)C1)c1nnn[n-]1	ZINC000601436410	362272372	/nfs/dbraw/zinc/27/23/72/362272372.db2.gz	GNTQUMPVUVTGPN-SECBINFHSA-N	-1	0	274.328	0.846	20	30		CCEDRM
CC1(C)CCCN(C(=O)CCc2nnn[n-]2)[C@@H]1C#N	ZINC000601532461	362302798	/nfs/dbraw/zinc/30/27/98/362302798.db2.gz	BQIUOSIEJQJGTK-SECBINFHSA-N	-1	0	262.317	0.673	20	30		CCEDRM
C=CCCSCCNC(=O)CCc1nnn[n-]1	ZINC000601665366	362346795	/nfs/dbraw/zinc/34/67/95/362346795.db2.gz	VSWJIQDQCYJMQR-UHFFFAOYSA-N	-1	0	255.347	0.558	20	30		CCEDRM
C=C(C)C[C@@H](NC(=O)Cc1n[n-]c(=NC)s1)C(=O)OC	ZINC000601786754	362393188	/nfs/dbraw/zinc/39/31/88/362393188.db2.gz	ISKZSKCIHFPOON-MRVPVSSYSA-N	-1	0	298.368	0.168	20	30		CCEDRM
CC1(C)CCN(C(=O)CCn2cc(C#N)c(=O)[n-]c2=O)C1	ZINC000602107376	362492519	/nfs/dbraw/zinc/49/25/19/362492519.db2.gz	PPISJVCRUPANOP-UHFFFAOYSA-N	-1	0	290.323	0.469	20	30		CCEDRM
C[C@@H](C1CC1)N(C)C(=O)Cn1cc(C#N)c(=O)[n-]c1=O	ZINC000602044169	362466880	/nfs/dbraw/zinc/46/68/80/362466880.db2.gz	BLKRADFCTNANMI-QMMMGPOBSA-N	-1	0	276.296	0.077	20	30		CCEDRM
CCC[C@@H](C)N(C)C(=O)Cn1cc(C#N)c(=O)[n-]c1=O	ZINC000602061115	362469284	/nfs/dbraw/zinc/46/92/84/362469284.db2.gz	VMEMRPIWVBFIFD-SECBINFHSA-N	-1	0	278.312	0.468	20	30		CCEDRM
C[C@@H]1[C@@H](C)CCN1C(=O)CCn1cc(C#N)c(=O)[n-]c1=O	ZINC000602117537	362498852	/nfs/dbraw/zinc/49/88/52/362498852.db2.gz	SBZWRADFZRBLKD-VHSXEESVSA-N	-1	0	290.323	0.468	20	30		CCEDRM
C[C@H]1CCN(C(=O)CCn2cc(C#N)c(=O)[n-]c2=O)[C@H]1C	ZINC000602117535	362499423	/nfs/dbraw/zinc/49/94/23/362499423.db2.gz	SBZWRADFZRBLKD-UWVGGRQHSA-N	-1	0	290.323	0.468	20	30		CCEDRM
CCN(CC1CCC1)C(=O)Cn1cc(C#N)c(=O)[n-]c1=O	ZINC000602139986	362519006	/nfs/dbraw/zinc/51/90/06/362519006.db2.gz	BCKOOZLBMYMOJR-UHFFFAOYSA-N	-1	0	290.323	0.469	20	30		CCEDRM
CN(C(=O)Cn1cc(C#N)c(=O)[n-]c1=O)C1(C)CCCC1	ZINC000602141731	362520553	/nfs/dbraw/zinc/52/05/53/362520553.db2.gz	NLJKHIQAPSPORM-UHFFFAOYSA-N	-1	0	290.323	0.612	20	30		CCEDRM
C[C@@H](C#N)CN(C(=O)CCCc1nnn[n-]1)C1CC1	ZINC000602124550	362505614	/nfs/dbraw/zinc/50/56/14/362505614.db2.gz	HBNJCCMRRWOVMR-VIFPVBQESA-N	-1	0	262.317	0.673	20	30		CCEDRM
CC1=C[C@@H](C)CN(C(=O)Cn2cc(C#N)c(=O)[n-]c2=O)C1	ZINC000602148375	362525943	/nfs/dbraw/zinc/52/59/43/362525943.db2.gz	KYCAQXDPGDEMKA-SECBINFHSA-N	-1	0	288.307	0.245	20	30		CCEDRM
CN(C(=O)Cn1cc(C#N)c(=O)[n-]c1=O)C(C)(C)C	ZINC000602171844	362541136	/nfs/dbraw/zinc/54/11/36/362541136.db2.gz	JXDLLGGERGGTSR-UHFFFAOYSA-N	-1	0	264.285	0.077	20	30		CCEDRM
CCCN(C(=O)CCn1cc(C#N)c(=O)[n-]c1=O)C(C)C	ZINC000602175386	362543224	/nfs/dbraw/zinc/54/32/24/362543224.db2.gz	PRTCOCYMRMIUFT-UHFFFAOYSA-N	-1	0	292.339	0.858	20	30		CCEDRM
CC(C)n1cc(C#N)c([N-]S(=O)(=O)c2c[nH]cn2)n1	ZINC000164023862	290746082	/nfs/dbraw/zinc/74/60/82/290746082.db2.gz	WTJOPRBSBZRANV-UHFFFAOYSA-N	-1	0	280.313	0.860	20	30		CCEDRM
C=C[C@H](CCC(=O)[O-])NS(=O)(=O)c1cnn(CC)c1	ZINC000573683177	334957450	/nfs/dbraw/zinc/95/74/50/334957450.db2.gz	XTPXNFPNVJOHIU-SECBINFHSA-N	-1	0	287.341	0.601	20	30		CCEDRM
CN(CC(=O)[O-])S(=O)(=O)c1ccc(Cl)cc1C#N	ZINC000097230079	185569279	/nfs/dbraw/zinc/56/92/79/185569279.db2.gz	BIVMPXKGEAEYCQ-UHFFFAOYSA-N	-1	0	288.712	0.917	20	30		CCEDRM
Cn1cc(C#N)c(=NC(=O)N2CCC23CCOCC3)[n-]1	ZINC000617995286	365865175	/nfs/dbraw/zinc/86/51/75/365865175.db2.gz	AUKPEVXLZNIEGK-UHFFFAOYSA-N	-1	0	275.312	0.500	20	30		CCEDRM
N#Cc1nccnc1N1CCC(c2nc(=O)[n-][nH]2)CC1	ZINC000280976704	136653413	/nfs/dbraw/zinc/65/34/13/136653413.db2.gz	MTGXKRCCPWADDW-UHFFFAOYSA-N	-1	0	271.284	0.144	20	30		CCEDRM
N#Cc1ccc(OCC(=O)N[C@@]2(C(=O)[O-])CCOC2)cc1	ZINC000085851428	179188234	/nfs/dbraw/zinc/18/82/34/179188234.db2.gz	VIXDKBWRWBHOGO-AWEZNQCLSA-N	-1	0	290.275	0.297	20	30		CCEDRM
N#Cc1ccc(S(=O)(=O)NCCC(=O)[O-])cc1Cl	ZINC000168594104	136848092	/nfs/dbraw/zinc/84/80/92/136848092.db2.gz	BYYXQXRFKWEKKE-UHFFFAOYSA-N	-1	0	288.712	0.965	20	30		CCEDRM
N#Cc1ccc(CNC(=O)NCCC(=O)[O-])cc1F	ZINC000263351756	137064486	/nfs/dbraw/zinc/06/44/86/137064486.db2.gz	HYENFKIMCXNTCT-UHFFFAOYSA-N	-1	0	265.244	0.971	20	30		CCEDRM
N#Cc1ccnc(NCCc2n[n-]c(=N)o2)c1Cl	ZINC000343008248	137109352	/nfs/dbraw/zinc/10/93/52/137109352.db2.gz	LVSLUUOLPIOLBN-UHFFFAOYSA-N	-1	0	264.676	0.479	20	30		CCEDRM
N#CCCN(CCC#N)C(=O)CSCCC(=O)[O-]	ZINC000037116648	348184311	/nfs/dbraw/zinc/18/43/11/348184311.db2.gz	OTMDELAMYOQXLA-UHFFFAOYSA-N	-1	0	269.326	0.850	20	30		CCEDRM
COCc1nc(=NC(=O)c2cc(C#N)c[nH]2)s[n-]1	ZINC000345737928	137249848	/nfs/dbraw/zinc/24/98/48/137249848.db2.gz	MFVACHQOZDFJFH-UHFFFAOYSA-N	-1	0	263.282	0.558	20	30		CCEDRM
COC(=O)N[N-]S(=O)(=O)c1cc(F)ccc1C	ZINC000048652907	348420806	/nfs/dbraw/zinc/42/08/06/348420806.db2.gz	YHNVFDIHSXRPGB-UHFFFAOYSA-N	-1	0	262.262	0.888	20	30		CCEDRM
Cc1nc(C[N-]S(=O)(=O)c2ccc(F)cc2C#N)no1	ZINC000122152176	350062363	/nfs/dbraw/zinc/06/23/63/350062363.db2.gz	BEKKJAIXIYVIOA-UHFFFAOYSA-N	-1	0	296.283	0.867	20	30		CCEDRM
Cn1nnc([N-]S(=O)(=O)c2ccc(C#N)cc2Cl)n1	ZINC000126608232	350150324	/nfs/dbraw/zinc/15/03/24/350150324.db2.gz	MGJGHFVXIVYGBF-UHFFFAOYSA-N	-1	0	298.715	0.536	20	30		CCEDRM
N#Cc1cc(N2CCO[C@@H](C(=O)[O-])C2)ccc1[N+](=O)[O-]	ZINC000127731442	350176651	/nfs/dbraw/zinc/17/66/51/350176651.db2.gz	SHSRHODKQCJYAY-LLVKDONJSA-N	-1	0	277.236	0.756	20	30		CCEDRM
C[C@@H]1CN(C(=O)c2cc(=O)n(C)[n-]2)C[C@H](C)N1CC#N	ZINC000603090201	362957758	/nfs/dbraw/zinc/95/77/58/362957758.db2.gz	LZXMANIJZLWUBF-AOOOYVTPSA-N	-1	0	277.328	0.184	20	30		CCEDRM
COC[C@@H](NC(=O)Nc1ccc(C#N)cc1)C(=O)[O-]	ZINC000159153397	350670561	/nfs/dbraw/zinc/67/05/61/350670561.db2.gz	PVXQHDRGWRQBDY-SNVBAGLBSA-N	-1	0	263.253	0.779	20	30		CCEDRM
N#CCN1CCN(C(=O)c2c([O-])cccc2F)CC1	ZINC000186847700	351517890	/nfs/dbraw/zinc/51/78/90/351517890.db2.gz	JSOJODOYFMPSMD-UHFFFAOYSA-N	-1	0	263.272	0.813	20	30		CCEDRM
C=CCOCCCNC(=O)Cc1n[n-]c(=NC)s1	ZINC000618526793	366037962	/nfs/dbraw/zinc/03/79/62/366037962.db2.gz	SCFJPLAEKHOPFZ-UHFFFAOYSA-N	-1	0	270.358	0.253	20	30		CCEDRM
C[C@H]1CCCN(S(=O)(=O)[N-]c2nn(C)cc2C#N)C1	ZINC000123331487	187085648	/nfs/dbraw/zinc/08/56/48/187085648.db2.gz	YVWBNPPRAQZQMB-VIFPVBQESA-N	-1	0	283.357	0.680	20	30		CCEDRM
C[C@@H]1[C@@H](C(=O)[O-])CCN1S(=O)(=O)c1ccc(C#N)nc1	ZINC000228698541	352080978	/nfs/dbraw/zinc/08/09/78/352080978.db2.gz	QWGXOJWEJNYKQI-KCJUWKMLSA-N	-1	0	295.320	0.437	20	30		CCEDRM
N#Cc1ccc(S(=O)(=O)NC2(C(=O)[O-])CCC2)s1	ZINC000230326178	352111627	/nfs/dbraw/zinc/11/16/27/352111627.db2.gz	YGVOHOYBRSGLCD-UHFFFAOYSA-N	-1	0	286.334	0.905	20	30		CCEDRM
Cc1cc(S(=O)(=O)N[C@@H](C)C(=O)[O-])ccc1C#N	ZINC000235525389	352185004	/nfs/dbraw/zinc/18/50/04/352185004.db2.gz	WNFMIXXAFSYGGF-QMMMGPOBSA-N	-1	0	268.294	0.618	20	30		CCEDRM
Cc1cc(C#N)ccc1S(=O)(=O)NC1(C(=O)[O-])CC1	ZINC000235773863	352188711	/nfs/dbraw/zinc/18/87/11/352188711.db2.gz	OTOYJUMXSIBUEH-UHFFFAOYSA-N	-1	0	280.305	0.762	20	30		CCEDRM
N#Cc1ccc(S(=O)(=O)NCC2(C(=O)[O-])CC2)cc1	ZINC000138939534	187905359	/nfs/dbraw/zinc/90/53/59/187905359.db2.gz	FKZIFLGOYDINQB-UHFFFAOYSA-N	-1	0	280.305	0.701	20	30		CCEDRM
C=CC[C@@H](NS(=O)(=O)c1cnn(CC)c1)C(=O)[O-]	ZINC000274877343	353169727	/nfs/dbraw/zinc/16/97/27/353169727.db2.gz	BXRLVDHMJLZBTK-SECBINFHSA-N	-1	0	273.314	0.211	20	30		CCEDRM
CC#CC[C@H](NS(=O)(=O)c1ccccc1F)C(=O)[O-]	ZINC000275054255	353182299	/nfs/dbraw/zinc/18/22/99/353182299.db2.gz	SVWPXTKBLUMSLA-JTQLQIEISA-N	-1	0	285.296	0.971	20	30		CCEDRM
C[C@H](C(=O)N(C)C)S(=O)(=O)[N-]c1ncccc1C#N	ZINC000283742707	353526567	/nfs/dbraw/zinc/52/65/67/353526567.db2.gz	AYDKSVJDTKSBAF-MRVPVSSYSA-N	-1	0	282.325	0.172	20	30		CCEDRM
CCN(C[C@H](C)C(=O)[O-])S(=O)(=O)c1ccc(C#N)o1	ZINC000287634373	353658722	/nfs/dbraw/zinc/65/87/22/353658722.db2.gz	UBVUDMZSFZUOHJ-QMMMGPOBSA-N	-1	0	286.309	0.883	20	30		CCEDRM
Cn1cccc(N/C([O-])=N/[C@@H]2CCn3ccnc3C2)c1=O	ZINC000330236209	354311111	/nfs/dbraw/zinc/31/11/11/354311111.db2.gz	HFYRWQFAAWTNRS-SNVBAGLBSA-N	-1	0	287.323	0.923	20	30		CCEDRM
O=C(N=c1cn[n-]s1)N1CCN2C(=O)CC[C@@H]2C1	ZINC000330239151	354311190	/nfs/dbraw/zinc/31/11/90/354311190.db2.gz	DQKXRKCAHKPZGG-SSDOTTSWSA-N	-1	0	267.314	0.390	20	30		CCEDRM
COCCS(=O)(=O)[N-]c1nc2n(c1C#N)CCS2	ZINC000331363094	354552344	/nfs/dbraw/zinc/55/23/44/354552344.db2.gz	ACMYDJSAKHTPSX-UHFFFAOYSA-N	-1	0	288.354	0.249	20	30		CCEDRM
Cc1ncc2n1CC[C@@H](C(=O)N=c1[nH][n-]c(C)c1C#N)C2	ZINC000332229503	354632136	/nfs/dbraw/zinc/63/21/36/354632136.db2.gz	LSMHPCWOGUMALX-SNVBAGLBSA-N	-1	0	284.323	0.718	20	30		CCEDRM
Cn1cc(C#N)c(=NC(=O)N2CCC[C@](C)(O)CC2)[n-]1	ZINC000619320245	366235970	/nfs/dbraw/zinc/23/59/70/366235970.db2.gz	YOMGHCKTZSIATM-ZDUSSCGKSA-N	-1	0	277.328	0.482	20	30		CCEDRM
N#Cc1ccc(S(=O)(=O)NCc2ccc(C(=O)[O-])o2)o1	ZINC000558473075	291057706	/nfs/dbraw/zinc/05/77/06/291057706.db2.gz	JZWNTFRYMJLHBU-UHFFFAOYSA-N	-1	0	296.260	0.921	20	30		CCEDRM
CC(C)(NC(=O)CNc1ccc(C#N)cc1)c1nnn[n-]1	ZINC000354776773	356495374	/nfs/dbraw/zinc/49/53/74/356495374.db2.gz	RFECTIZLKNMZLC-UHFFFAOYSA-N	-1	0	285.311	0.535	20	30		CCEDRM
N#CCc1cccc(S(=O)(=O)N2CC(C(=O)[O-])C2)c1	ZINC000619470962	366264250	/nfs/dbraw/zinc/26/42/50/366264250.db2.gz	XWOIYIIVBBBCLL-UHFFFAOYSA-N	-1	0	280.305	0.458	20	30		CCEDRM
N#Cc1ccc(N2CCC(c3n[nH]c(=O)[n-]3)CC2)nn1	ZINC000619569970	366285257	/nfs/dbraw/zinc/28/52/57/366285257.db2.gz	KYZFHUIQUAKJCA-UHFFFAOYSA-N	-1	0	271.284	0.556	20	30		CCEDRM
C[C@H](C#N)CNC(=O)c1ccccc1[N-]S(C)(=O)=O	ZINC000609491905	363499293	/nfs/dbraw/zinc/49/92/93/363499293.db2.gz	FGHDBFUULSFLGM-SECBINFHSA-N	-1	0	281.337	0.948	20	30		CCEDRM
CCn1nccc1S(=O)(=O)[N-]c1n[nH]c(C)c1C#N	ZINC000274394905	192572242	/nfs/dbraw/zinc/57/22/42/192572242.db2.gz	BYRBQASCIRXGQH-UHFFFAOYSA-N	-1	0	280.313	0.607	20	30		CCEDRM
Cn1cc(C#N)c(=NC(=O)NCCc2ccccn2)[n-]1	ZINC000610528146	363572539	/nfs/dbraw/zinc/57/25/39/363572539.db2.gz	QRJSXYVBEAVSTC-UHFFFAOYSA-N	-1	0	270.296	0.473	20	30		CCEDRM
COCCN(CCC#N)C(=O)N=c1[n-]nc2ccccn21	ZINC000610558755	363575415	/nfs/dbraw/zinc/57/54/15/363575415.db2.gz	AAXMEBVAZQVKSR-UHFFFAOYSA-N	-1	0	288.311	0.545	20	30		CCEDRM
CC(C)C[C@@H]1COCCN1C(=O)N=c1[n-]n(C)cc1C#N	ZINC000610561072	363576162	/nfs/dbraw/zinc/57/61/62/363576162.db2.gz	PBYXJEKJHZSPDU-GFCCVEGCSA-N	-1	0	291.355	0.992	20	30		CCEDRM
Cn1cc(C#N)c(=NC(=O)N[C@H]2CCCc3c2cnn3C)[n-]1	ZINC000610561987	363576310	/nfs/dbraw/zinc/57/63/10/363576310.db2.gz	GTDCADYTDBTITN-NSHDSACASA-N	-1	0	299.338	0.646	20	30		CCEDRM
Cn1cc(C#N)c(=NC(=O)NC[C@H]2CCC[C@H](O)C2)[n-]1	ZINC000610564305	363579774	/nfs/dbraw/zinc/57/97/74/363579774.db2.gz	HEGWPQDNLSPYHJ-ONGXEEELSA-N	-1	0	277.328	0.386	20	30		CCEDRM
Cc1nn(C)cc1S(=O)(=O)[N-]c1ccc(C#N)c(C)n1	ZINC000451085699	236133202	/nfs/dbraw/zinc/13/32/02/236133202.db2.gz	CMEWFTGEQVPOPJ-UHFFFAOYSA-N	-1	0	291.336	0.526	20	30		CCEDRM
CCn1cnc(S(=O)(=O)[N-]c2ccc(C#N)c(C)n2)c1	ZINC000451094050	236135352	/nfs/dbraw/zinc/13/53/52/236135352.db2.gz	WTNOVUNKVXEJQV-UHFFFAOYSA-N	-1	0	291.336	0.701	20	30		CCEDRM
C=CCOC[C@@H](NC(=O)N[C@@H]1CCCOC1)C(=O)[O-]	ZINC000684730810	545729115	/nfs/dbraw/zinc/72/91/15/545729115.db2.gz	SXPWIMUOFRFHNT-NXEZZACHSA-N	-1	0	272.301	0.120	20	30		CCEDRM
CN(CCC1CCOCC1)C(=O)N=c1[n-]n(C)cc1C#N	ZINC000610713666	363601882	/nfs/dbraw/zinc/60/18/82/363601882.db2.gz	VFADKZBEEVXVNS-UHFFFAOYSA-N	-1	0	291.355	0.994	20	30		CCEDRM
C=CCNS(=O)(=O)c1cc2c(c(C(=O)[O-])c1)OCCO2	ZINC000556794844	358553306	/nfs/dbraw/zinc/55/33/06/358553306.db2.gz	TUXWEBXRPASMCM-UHFFFAOYSA-N	-1	0	299.304	0.620	20	30		CCEDRM
C[C@H](C#N)CN(C)S(=O)(=O)N[C@@H](CC(F)F)C(=O)[O-]	ZINC000563227538	358557326	/nfs/dbraw/zinc/55/73/26/358557326.db2.gz	YAROSJWWKBFCCI-RQJHMYQMSA-N	-1	0	299.299	0.021	20	30		CCEDRM
Cc1[n-][nH]c(=NC(=O)[C@H]2CCc3cncn3C2)c1C#N	ZINC000569490118	358769670	/nfs/dbraw/zinc/76/96/70/358769670.db2.gz	ZLJGOBIWHFWJLW-VIFPVBQESA-N	-1	0	270.296	0.409	20	30		CCEDRM
CCN([C@@H](C)CC(=O)[O-])S(=O)(=O)N(C)C[C@H](C)C#N	ZINC000570971303	358900023	/nfs/dbraw/zinc/90/00/23/358900023.db2.gz	CNNRFMCGCHESFN-ZJUUUORDSA-N	-1	0	291.373	0.508	20	30		CCEDRM
C=CCN(CC(=O)[O-])S(=O)(=O)C1(COC)CC1	ZINC000574037246	359021742	/nfs/dbraw/zinc/02/17/42/359021742.db2.gz	ISKJWCSRHPDEEL-UHFFFAOYSA-N	-1	0	263.315	0.068	20	30		CCEDRM
N#Cc1cc(C(=O)N=c2cc(C(N)=O)[n-][nH]2)ccc1F	ZINC000586799007	359292653	/nfs/dbraw/zinc/29/26/53/359292653.db2.gz	MZUUKBJMTZODSP-UHFFFAOYSA-N	-1	0	273.227	0.194	20	30		CCEDRM
N#Cc1cc(O)cc(C(=O)N=c2nc3ccccn3[n-]2)c1	ZINC000589196092	359368376	/nfs/dbraw/zinc/36/83/76/359368376.db2.gz	WRLADVKSCKGPNU-UHFFFAOYSA-N	-1	0	279.259	0.981	20	30		CCEDRM
N#Cc1ccc(S(=O)(=O)N2CCC[C@@H]2CC(=O)[O-])o1	ZINC000588316669	359321744	/nfs/dbraw/zinc/32/17/44/359321744.db2.gz	WKEBWNHKYGCXCX-MRVPVSSYSA-N	-1	0	284.293	0.779	20	30		CCEDRM
CC(C)(C(N)=O)C(=O)N=c1[nH][n-]c(C2CC2)c1C#N	ZINC000588767992	359336025	/nfs/dbraw/zinc/33/60/25/359336025.db2.gz	FUXNOLRMNHZALX-UHFFFAOYSA-N	-1	0	261.285	0.031	20	30		CCEDRM
N#Cc1c(NC(=O)c2ncccc2[O-])n[nH]c1C1CC1	ZINC000588770014	359336411	/nfs/dbraw/zinc/33/64/11/359336411.db2.gz	KGPRIENWQHQJAD-UHFFFAOYSA-N	-1	0	269.264	0.934	20	30		CCEDRM
Cn1cc(C#N)c(=NC(=O)NCC2CC(F)(F)C2)[n-]1	ZINC000590121331	359425920	/nfs/dbraw/zinc/42/59/20/359425920.db2.gz	DWVGETGTVMUXQQ-UHFFFAOYSA-N	-1	0	269.255	0.880	20	30		CCEDRM
C=C[C@H](C(=O)OC)N1CCC[C@@H](c2n[n-]c(=O)o2)C1	ZINC000590737010	359512966	/nfs/dbraw/zinc/51/29/66/359512966.db2.gz	IEFGWMLYTQTOTP-RKDXNWHRSA-N	-1	0	267.285	0.682	20	30		CCEDRM
Cn1cc(C#N)c(=NC(=O)N[C@H]2CCc3n[nH]cc3C2)[n-]1	ZINC000611125797	363662406	/nfs/dbraw/zinc/66/24/06/363662406.db2.gz	SIVCNTOKXJBZPZ-JTQLQIEISA-N	-1	0	285.311	0.116	20	30		CCEDRM
CC[C@](C)(CNC(=O)N=c1[n-]n(C)cc1C#N)OC	ZINC000590819507	359527281	/nfs/dbraw/zinc/52/72/81/359527281.db2.gz	LSTMKICINKIYAR-GFCCVEGCSA-N	-1	0	265.317	0.650	20	30		CCEDRM
CC1(C)CCN(S(=O)(=O)CC2(C#N)CC2)[C@H]1C(=O)[O-]	ZINC000591244278	359572736	/nfs/dbraw/zinc/57/27/36/359572736.db2.gz	ZVKABAGQOPKAEP-VIFPVBQESA-N	-1	0	286.353	0.805	20	30		CCEDRM
C[C@H]1C[C@@H](NC(=O)N=c2[n-]n(C)cc2C#N)CS1	ZINC000591338149	359579450	/nfs/dbraw/zinc/57/94/50/359579450.db2.gz	NHBDBZNYRIFHTJ-IONNQARKSA-N	-1	0	265.342	0.729	20	30		CCEDRM
Cn1cc(C#N)c(=NC(=O)N2CCO[C@@H](C3CCC3)C2)[n-]1	ZINC000591338195	359579460	/nfs/dbraw/zinc/57/94/60/359579460.db2.gz	WGPNKXPHEYTBHI-GFCCVEGCSA-N	-1	0	289.339	0.746	20	30		CCEDRM
CC#CC[C@@H](NS(=O)(=O)c1cnn(CC)c1)C(=O)[O-]	ZINC000274948148	192854183	/nfs/dbraw/zinc/85/41/83/192854183.db2.gz	FZUUSKYKGJCBJK-SNVBAGLBSA-N	-1	0	285.325	0.048	20	30		CCEDRM
COC[C@]1(C(=O)[O-])CCN(S(=O)(=O)CCCC#N)C1	ZINC000591744498	359651220	/nfs/dbraw/zinc/65/12/20/359651220.db2.gz	DKUJBPIJBMZJEB-NSHDSACASA-N	-1	0	290.341	0.043	20	30		CCEDRM
CC[C@@H](CCC(=O)[O-])NS(=O)(=O)c1ccc(C#N)nc1	ZINC000297213587	200116435	/nfs/dbraw/zinc/11/64/35/200116435.db2.gz	NNRXBMJIIQAKJQ-VIFPVBQESA-N	-1	0	297.336	0.875	20	30		CCEDRM
CC[C@@H](CCNS(=O)(=O)c1ccc(C#N)nc1)C(=O)[O-]	ZINC000297340342	200155051	/nfs/dbraw/zinc/15/50/51/200155051.db2.gz	YKIHQOHVCNTCRW-VIFPVBQESA-N	-1	0	297.336	0.732	20	30		CCEDRM
N#Cc1c[n-]c(=O)n(Cc2nc(C3CC3)cs2)c1=O	ZINC000563128588	291196335	/nfs/dbraw/zinc/19/63/35/291196335.db2.gz	QUZAARKFHIMODS-UHFFFAOYSA-N	-1	0	274.305	0.790	20	30		CCEDRM
C=CCCS(=O)(=O)NCCSC[C@@H](C)C(=O)[O-]	ZINC000592447643	359842941	/nfs/dbraw/zinc/84/29/41/359842941.db2.gz	FPZSQECRGKJTTR-SECBINFHSA-N	-1	0	281.399	0.936	20	30		CCEDRM
C[C@H]1CCC[C@](C#N)(NC(=O)c2n[nH]c(=O)[n-]c2=O)C1	ZINC000611219925	363685859	/nfs/dbraw/zinc/68/58/59/363685859.db2.gz	UYUTUZGKXCHVOR-MADCSZMMSA-N	-1	0	277.284	0.485	20	30		CCEDRM
CCO[C@@H](CC)C(=O)N=c1[n-]n(C)c(C)c1C#N	ZINC000592646450	359907965	/nfs/dbraw/zinc/90/79/65/359907965.db2.gz	ORDPOSDZFYJRIQ-JTQLQIEISA-N	-1	0	250.302	0.776	20	30		CCEDRM
CSC[C@@H](C)C(=O)N=c1[n-]n(C)c(C)c1C#N	ZINC000592646751	359908433	/nfs/dbraw/zinc/90/84/33/359908433.db2.gz	QIERWQLBKDXLMF-SSDOTTSWSA-N	-1	0	252.343	0.960	20	30		CCEDRM
COC[C@H](C)[C@H](C)C(=O)N=c1[n-]n(C)c(C)c1C#N	ZINC000592650127	359909179	/nfs/dbraw/zinc/90/91/79/359909179.db2.gz	OERNDJKFTAJMAX-IUCAKERBSA-N	-1	0	264.329	0.879	20	30		CCEDRM
N#CC[C@@]1(O)CCN(C(=O)c2cccc3n[nH]nc32)C1	ZINC000592848035	359953407	/nfs/dbraw/zinc/95/34/07/359953407.db2.gz	TULXMUOELHGPLO-CYBMUJFWSA-N	-1	0	271.280	0.449	20	30		CCEDRM
C[C@H](C#N)CN(C)S(=O)(=O)N(CC(=O)[O-])CC1CC1	ZINC000593222688	360052512	/nfs/dbraw/zinc/05/25/12/360052512.db2.gz	ROSDKMZIOOUFJD-SECBINFHSA-N	-1	0	289.357	0.119	20	30		CCEDRM
N#Cc1ccc(S(=O)(=O)N(CC(=O)[O-])CC2CC2)o1	ZINC000593221804	360052635	/nfs/dbraw/zinc/05/26/35/360052635.db2.gz	GKMWLFSDSQBAKR-UHFFFAOYSA-N	-1	0	284.293	0.637	20	30		CCEDRM
C[C@H](NS(=O)(=O)c1ccsc1C#N)C(=O)[O-]	ZINC000593254618	360056746	/nfs/dbraw/zinc/05/67/46/360056746.db2.gz	PEHBLZPATFPPTP-YFKPBYRVSA-N	-1	0	260.296	0.371	20	30		CCEDRM
C[C@H](C#N)CN(C)S(=O)(=O)N(CC(=O)[O-])C1CCC1	ZINC000593943938	360221269	/nfs/dbraw/zinc/22/12/69/360221269.db2.gz	HDPZSIIIWAWKNO-SECBINFHSA-N	-1	0	289.357	0.262	20	30		CCEDRM
Cn1cc(C#N)c(=NC(=O)c2scc3c2OCCO3)[n-]1	ZINC000593990027	360228820	/nfs/dbraw/zinc/22/88/20/360228820.db2.gz	VMYLRCFLWXJFDM-UHFFFAOYSA-N	-1	0	290.304	0.799	20	30		CCEDRM
C[C@H](CNC(=O)C(=O)NCc1ccc(C#N)cc1)C(=O)[O-]	ZINC000594540540	360327318	/nfs/dbraw/zinc/32/73/18/360327318.db2.gz	UFROVEDMVLAJKN-SECBINFHSA-N	-1	0	289.291	0.011	20	30		CCEDRM
CC#CC[C@H](CO)[N-]S(=O)(=O)c1ncccc1[N+](=O)[O-]	ZINC000594797661	360385032	/nfs/dbraw/zinc/38/50/32/360385032.db2.gz	XOJPWJZOHVQUGY-SECBINFHSA-N	-1	0	299.308	0.042	20	30		CCEDRM
Cc1cc(C#N)cc(N[C@@H]2C[C@H](C(=O)[O-])C[C@@H]2O)n1	ZINC000595977382	360753845	/nfs/dbraw/zinc/75/38/45/360753845.db2.gz	GDMKWYVVJSPCNH-AXFHLTTASA-N	-1	0	261.281	0.898	20	30		CCEDRM
Cc1nnc(N[C@@H]2C[C@H](C(=O)[O-])C[C@@H]2O)c(C#N)c1C	ZINC000595980635	360755773	/nfs/dbraw/zinc/75/57/73/360755773.db2.gz	XDLDLCBRRPNFNI-GDPRMGEGSA-N	-1	0	276.296	0.601	20	30		CCEDRM
Cc1nnc(N2C[C@@H]3COC[C@]3(C(=O)[O-])C2)c(C#N)c1C	ZINC000595967085	360741377	/nfs/dbraw/zinc/74/13/77/360741377.db2.gz	CXYVWMPOXJQMNL-QMTHXVAHSA-N	-1	0	288.307	0.503	20	30		CCEDRM
CN(CCC#N)S(=O)(=O)N1CC2(CCC2)[C@H]1C(=O)[O-]	ZINC000596035753	360779393	/nfs/dbraw/zinc/77/93/93/360779393.db2.gz	VOTGFFIZJVQZEC-SECBINFHSA-N	-1	0	287.341	0.016	20	30		CCEDRM
Cn1[nH]c([C@@H]2CCCN2c2ncc(C#N)cc2F)nc1=N	ZINC000596252806	360854058	/nfs/dbraw/zinc/85/40/58/360854058.db2.gz	SELGDFPSCMPYNU-JTQLQIEISA-N	-1	0	287.302	0.975	20	30		CCEDRM
Cc1[n-][nH]c(=NC(=O)C(C)(C)n2cccn2)c1C#N	ZINC000598698727	361488466	/nfs/dbraw/zinc/48/84/66/361488466.db2.gz	CWARPHGPSQOJQH-UHFFFAOYSA-N	-1	0	258.285	0.582	20	30		CCEDRM
Cc1cc(C#N)cnc1C(=O)N(C)Cc1n[n-]c(=O)o1	ZINC000598743628	361506531	/nfs/dbraw/zinc/50/65/31/361506531.db2.gz	BUTZAUCZOYMGKL-UHFFFAOYSA-N	-1	0	273.252	0.623	20	30		CCEDRM
Cn1cc(C#N)c(=NC(=O)c2cnc3n2CCCCC3)[n-]1	ZINC000598817022	361520727	/nfs/dbraw/zinc/52/07/27/361520727.db2.gz	FINHZMKWRJLFDJ-UHFFFAOYSA-N	-1	0	284.323	0.889	20	30		CCEDRM
C=C(C)C[N-]S(=O)(=O)c1cc(C(=O)OC)no1	ZINC000599280953	361629637	/nfs/dbraw/zinc/62/96/37/361629637.db2.gz	FDJVGTGZTDBDEU-UHFFFAOYSA-N	-1	0	260.271	0.316	20	30		CCEDRM
CCC[C@H](C#N)NC(=O)c1ccc([N-]S(C)(=O)=O)nc1	ZINC000599234013	361617681	/nfs/dbraw/zinc/61/76/81/361617681.db2.gz	DJVMXDDLUFMJMS-SNVBAGLBSA-N	-1	0	296.352	0.875	20	30		CCEDRM
C[C@H](CC#N)N(C)C(=O)c1ccc([N-]S(C)(=O)=O)nc1	ZINC000599329376	361654070	/nfs/dbraw/zinc/65/40/70/361654070.db2.gz	IHFSXFOPMPCDBX-SECBINFHSA-N	-1	0	296.352	0.827	20	30		CCEDRM
Cc1nn(C)cc1S(=O)(=O)[N-]c1cc(C#N)ccn1	ZINC000342577551	216410230	/nfs/dbraw/zinc/41/02/30/216410230.db2.gz	VZFJZWACUZUOLF-UHFFFAOYSA-N	-1	0	277.309	0.796	20	30		CCEDRM
Cn1cc(C#N)c(=NC(=O)N2CCC[C@]2(C)CCCO)[n-]1	ZINC000612573635	363961851	/nfs/dbraw/zinc/96/18/51/363961851.db2.gz	XDTYRAOQIDAASD-CQSZACIVSA-N	-1	0	291.355	0.873	20	30		CCEDRM
C/C=C/C[C@@H](CO)NC(=O)N=c1[n-]n(C)cc1C#N	ZINC000613772718	364367781	/nfs/dbraw/zinc/36/77/81/364367781.db2.gz	HVESFCPDLHXPIO-FSIBCCDJSA-N	-1	0	263.301	0.162	20	30		CCEDRM
CCO[C@@H]1C[C@H](NC(=O)N=c2[n-]n(C)cc2C#N)[C@H]1OC	ZINC000614325636	364570530	/nfs/dbraw/zinc/57/05/30/364570530.db2.gz	AIEQGTSFYDIXTD-HBNTYKKESA-N	-1	0	293.327	0.028	20	30		CCEDRM
Cn1cc(C#N)c(=NC(=O)NCCOCC(F)F)[n-]1	ZINC000615979603	365148639	/nfs/dbraw/zinc/14/86/39/365148639.db2.gz	IWKXHXQZXGOCBD-UHFFFAOYSA-N	-1	0	273.243	0.117	20	30		CCEDRM
C=CCOCCNC(=O)c1ccc([N-]S(C)(=O)=O)nc1	ZINC000626404186	368536901	/nfs/dbraw/zinc/53/69/01/368536901.db2.gz	VKJQISGTOWSYKY-UHFFFAOYSA-N	-1	0	299.352	0.386	20	30		CCEDRM
C=CCCN(C)S(=O)(=O)c1cc(C(=O)[O-])n(C)c1	ZINC000276363002	193301692	/nfs/dbraw/zinc/30/16/92/193301692.db2.gz	VZKDJTJCOHUDLA-UHFFFAOYSA-N	-1	0	272.326	0.920	20	30		CCEDRM
C=CC[C@H]1CCN(C(=O)C(=O)N2CCC(C(=O)[O-])CC2)C1	ZINC000629778512	369774069	/nfs/dbraw/zinc/77/40/69/369774069.db2.gz	BFOZKVDUWYKPAO-NSHDSACASA-N	-1	0	294.351	0.734	20	30		CCEDRM
C=CCOC[C@@H](NC(=O)c1cnn(C2CC2)c1)C(=O)[O-]	ZINC000630186241	369995727	/nfs/dbraw/zinc/99/57/27/369995727.db2.gz	MBZZQRIVOJADAR-LLVKDONJSA-N	-1	0	279.296	0.604	20	30		CCEDRM
C=C(C)C[C@@H](NC(=O)[C@H]1CCCCS1(=O)=O)C(=O)[O-]	ZINC000630320100	370045818	/nfs/dbraw/zinc/04/58/18/370045818.db2.gz	OYYCLEQHALGBMH-NXEZZACHSA-N	-1	0	289.353	0.489	20	30		CCEDRM
C=C(C)C[C@H](NC(=O)Cn1ccccc1=O)C(=O)[O-]	ZINC000630321417	370046820	/nfs/dbraw/zinc/04/68/20/370046820.db2.gz	ITJSGRTTWQTFOB-JTQLQIEISA-N	-1	0	264.281	0.384	20	30		CCEDRM
C=C(C)C[C@@H](NC(=O)Cc1cnn(C)c1)C(=O)[O-]	ZINC000630321406	370047060	/nfs/dbraw/zinc/04/70/60/370047060.db2.gz	IQDNCNTUPRAXQV-SNVBAGLBSA-N	-1	0	251.286	0.498	20	30		CCEDRM
C=C(C)C[C@H](NC(=O)CCC(=O)NCCC)C(=O)[O-]	ZINC000630325809	370047600	/nfs/dbraw/zinc/04/76/00/370047600.db2.gz	MEGWZIMIFDNKHF-JTQLQIEISA-N	-1	0	270.329	0.828	20	30		CCEDRM
C=C(C)C[C@@H](NS(=O)(=O)[C@H](C)CCOC)C(=O)[O-]	ZINC000630437257	370115810	/nfs/dbraw/zinc/11/58/10/370115810.db2.gz	ABMDLXXMGCOOAF-NXEZZACHSA-N	-1	0	279.358	0.750	20	30		CCEDRM
C=CCOC[C@@H](NC(=O)NCC(C)(C)F)C(=O)[O-]	ZINC000630497061	370136047	/nfs/dbraw/zinc/13/60/47/370136047.db2.gz	ITLOWSXEOOMLPA-MRVPVSSYSA-N	-1	0	262.281	0.690	20	30		CCEDRM
C=C(C)[C@H]1OCC[C@@H]1CNC(=O)CCc1nnn[n-]1	ZINC000632840597	371295467	/nfs/dbraw/zinc/29/54/67/371295467.db2.gz	HJBSDODETYWTAM-BXKDBHETSA-N	-1	0	265.317	0.230	20	30		CCEDRM
CCC(=O)C(=O)N=c1nc(C(C)(C)OC)[n-]s1	ZINC000634147868	371910716	/nfs/dbraw/zinc/91/07/16/371910716.db2.gz	CEFGRBTUJNIAPV-ZCFIWIBFSA-N	-1	0	257.315	0.327	20	30		CCEDRM
C=CCn1cc(CNC(=O)[C@@H]2CCCC[C@@H]2C(=O)[O-])nn1	ZINC000634843727	372268383	/nfs/dbraw/zinc/26/83/83/372268383.db2.gz	UMHRUKWIDHVAEV-NEPJUHHUSA-N	-1	0	292.339	0.971	20	30		CCEDRM
C=CCC1(NC(=O)CCCc2nnn[n-]2)CCOCC1	ZINC000636181671	373439421	/nfs/dbraw/zinc/43/94/21/373439421.db2.gz	FYNPPXWOCWBKPU-UHFFFAOYSA-N	-1	0	279.344	0.764	20	30		CCEDRM
C=CCCOCCNC(=O)C[C@@]1(C(=O)[O-])CCOC1	ZINC000656481892	412811053	/nfs/dbraw/zinc/81/10/53/412811053.db2.gz	VVLNXPMQQKSVGG-ZDUSSCGKSA-N	-1	0	271.313	0.577	20	30		CCEDRM
COc1cc(C(=O)Nc2nc(C#N)c(C#N)[n-]2)on1	ZINC000345267329	217473896	/nfs/dbraw/zinc/47/38/96/217473896.db2.gz	YDXDQWQSIJIMJG-UHFFFAOYSA-N	-1	0	258.197	0.402	20	30		CCEDRM
C=CCOC[C@@H](NC(=O)c1cnn2c1CCC2)C(=O)[O-]	ZINC000637794730	374318035	/nfs/dbraw/zinc/31/80/35/374318035.db2.gz	MPVHYRAZODEUOQ-SNVBAGLBSA-N	-1	0	279.296	0.215	20	30		CCEDRM
COCC#CCN1CCC(c2n[n-]c(=N)o2)CC1	ZINC000639740991	375965920	/nfs/dbraw/zinc/96/59/20/375965920.db2.gz	ZITLWTYIZNVFGU-UHFFFAOYSA-N	-1	0	250.302	0.311	20	30		CCEDRM
C=CCCO[C@@H](C)C(=O)N[C@](C)(COC)C(=O)[O-]	ZINC000262047901	190047829	/nfs/dbraw/zinc/04/78/29/190047829.db2.gz	FBURFJBRMUIZBW-JOYOIKCWSA-N	-1	0	259.302	0.574	20	30		CCEDRM
CC(C)[C@H](NS(=O)(=O)c1ccc(C#N)o1)C(=O)[O-]	ZINC000262255273	190051546	/nfs/dbraw/zinc/05/15/46/190051546.db2.gz	DYJLBONWTXMIKQ-VIFPVBQESA-N	-1	0	272.282	0.539	20	30		CCEDRM
COc1cc(C#N)ccc1OCC(=O)NC1(C(=O)[O-])CC1	ZINC000263151558	190066369	/nfs/dbraw/zinc/06/63/69/190066369.db2.gz	LZEFBJQTBSJFQE-UHFFFAOYSA-N	-1	0	290.275	0.679	20	30		CCEDRM
C=CCOCCCNS(=O)(=O)c1ccccn1	ZINC000657149140	412906398	/nfs/dbraw/zinc/90/63/98/412906398.db2.gz	JFFPKDDXKCISTA-UHFFFAOYSA-N	-1	0	256.327	0.953	20	30		CCEDRM
COCCCO[N-]C(=O)C(=O)Nc1ccc(C#N)cc1F	ZINC000288227400	197031317	/nfs/dbraw/zinc/03/13/17/197031317.db2.gz	MSVHFLQMHMLPHN-UHFFFAOYSA-N	-1	0	295.270	0.720	20	30		CCEDRM
CCCC(=O)N1CCC[C@@H](C(=O)[N-]S(C)(=O)=O)C1	ZINC000048761610	388902994	/nfs/dbraw/zinc/90/29/94/388902994.db2.gz	RFMWULBYQLZNJG-SECBINFHSA-N	-1	0	276.358	0.941	20	30		CCEDRM
O=C([N-]S(=O)(=O)c1ccccc1)[C@@H]1COCCO1	ZINC000048407197	388890952	/nfs/dbraw/zinc/89/09/52/388890952.db2.gz	OXIXTUAXJCQCRZ-JTQLQIEISA-N	-1	0	271.294	0.747	20	30		CCEDRM
C#CCO[N-]C(=O)[C@H]1COCC(=O)N1Cc1ccccc1	ZINC000291282418	388920201	/nfs/dbraw/zinc/92/02/01/388920201.db2.gz	OSTQNOPXUXSRAC-CYBMUJFWSA-N	-1	0	288.303	0.095	20	30		CCEDRM
CCOC(=O)CN(C)C(=O)c1ccc(C#N)c(O)c1	ZINC000188384882	388926417	/nfs/dbraw/zinc/92/64/17/388926417.db2.gz	HYXCXJOHNJGGIS-UHFFFAOYSA-N	-1	0	262.265	0.899	20	30		CCEDRM
N#Cc1cc([N+](=O)[O-])ccc1NCCc1nc(=N)[n-]o1	ZINC000338283746	389104866	/nfs/dbraw/zinc/10/48/66/389104866.db2.gz	MDQNTJRUMOCWLY-UHFFFAOYSA-N	-1	0	274.240	0.917	20	30		CCEDRM
C=CCN(CC=C)C(=O)c1c[n-]n2c1nccc2=O	ZINC000339228514	389129364	/nfs/dbraw/zinc/12/93/64/389129364.db2.gz	FQWYPRJOUIPNMX-UHFFFAOYSA-N	-1	0	258.281	0.837	20	30		CCEDRM
C[C@@H]1CN(C(=O)C2(C#N)CCCC2)C[C@@H](C(=O)[O-])O1	ZINC000237399052	389188691	/nfs/dbraw/zinc/18/86/91/389188691.db2.gz	BNKCMOKCZFBSNE-ZJUUUORDSA-N	-1	0	266.297	0.771	20	30		CCEDRM
COC(=O)c1ncsc1S(=O)(=O)[N-][C@H](C)CC#N	ZINC000134703288	389247965	/nfs/dbraw/zinc/24/79/65/389247965.db2.gz	YSFWAUKNCHKGEC-ZCFIWIBFSA-N	-1	0	289.338	0.510	20	30		CCEDRM
O=C(N=c1cn[n-]s1)N1C[C@@H]2CC[C@H](O)[C@H]2C1	ZINC000330252236	389219485	/nfs/dbraw/zinc/21/94/85/389219485.db2.gz	IFWKJNJKTVPSAX-FXQIFTODSA-N	-1	0	254.315	0.786	20	30		CCEDRM
CC(C)Oc1ccc(=NC(=O)N2CCO[C@@H](C#N)C2)[n-]n1	ZINC000346505085	389330502	/nfs/dbraw/zinc/33/05/02/389330502.db2.gz	JAAPOCUDMVWZEA-JTQLQIEISA-N	-1	0	291.311	0.442	20	30		CCEDRM
CN=c1[n-]nc(SCC(=O)NC2(C#N)CCC2)s1	ZINC000343850729	389273979	/nfs/dbraw/zinc/27/39/79/389273979.db2.gz	YYFIEIVUUOSNPZ-UHFFFAOYSA-N	-1	0	283.382	0.656	20	30		CCEDRM
Cc1cccc(S(=O)(=O)N(C)[C@H](C)C(=O)[O-])c1C#N	ZINC000261773631	389276277	/nfs/dbraw/zinc/27/62/77/389276277.db2.gz	ZKPDCGYIIASPEY-SECBINFHSA-N	-1	0	282.321	0.960	20	30		CCEDRM
CC1(C(=O)[N-]S(=O)(=O)c2cncc(C#N)c2)CCC1	ZINC000408490258	389367947	/nfs/dbraw/zinc/36/79/47/389367947.db2.gz	ZVXODSCMVQBPEA-UHFFFAOYSA-N	-1	0	279.321	0.948	20	30		CCEDRM
N#Cc1cc(C(=O)[N-]S(=O)(=O)[C@H]2CCCOC2)ccn1	ZINC000408488956	389367990	/nfs/dbraw/zinc/36/79/90/389367990.db2.gz	ZMKAKSXDJCOIGH-NSHDSACASA-N	-1	0	295.320	0.192	20	30		CCEDRM
Cc1cc([N-]S(=O)(=O)c2ccnn2C)nn1CCC#N	ZINC000348884789	389395176	/nfs/dbraw/zinc/39/51/76/389395176.db2.gz	QKQJMAUOJQHACP-UHFFFAOYSA-N	-1	0	294.340	0.640	20	30		CCEDRM
N#CC1(C(=O)N2CCO[C@@H](c3nnn[n-]3)C2)CCCCC1	ZINC000370868636	389421469	/nfs/dbraw/zinc/42/14/69/389421469.db2.gz	OIAOLWMZIBFKKP-SNVBAGLBSA-N	-1	0	290.327	0.574	20	30		CCEDRM
COC(=O)[C@H](CF)[N-]S(=O)(=O)CC1(C#N)CCC1	ZINC000349885027	389452863	/nfs/dbraw/zinc/45/28/63/389452863.db2.gz	SKRXZMOUWVNTHV-QMMMGPOBSA-N	-1	0	278.305	0.111	20	30		CCEDRM
C=CCNC(=O)c1ccccc1[N-]S(=O)(=O)N1CCC1	ZINC000349919555	389459949	/nfs/dbraw/zinc/45/99/49/389459949.db2.gz	GINYRVPPGBWCCJ-UHFFFAOYSA-N	-1	0	295.364	0.965	20	30		CCEDRM
C=CCCn1cc(C(=O)N[C@H]2CC[C@@H](C(=O)[O-])C2)nn1	ZINC000425240646	389642443	/nfs/dbraw/zinc/64/24/43/389642443.db2.gz	MFZMDDQTJDGPQL-ZJUUUORDSA-N	-1	0	278.312	0.837	20	30		CCEDRM
C=C(C)[C@H]1OCC[C@H]1C(=O)NC1(c2nnn[n-]2)CC1	ZINC000427499063	389681861	/nfs/dbraw/zinc/68/18/61/389681861.db2.gz	ZWIIRPQWDPXJPX-RKDXNWHRSA-N	-1	0	263.301	0.286	20	30		CCEDRM
N#CCCCS(=O)(=O)N1C[C@@H]2CCC[C@H]2[C@H]1C(=O)[O-]	ZINC000376273032	389731939	/nfs/dbraw/zinc/73/19/39/389731939.db2.gz	ARMZOSSAXTVPSL-AXFHLTTASA-N	-1	0	286.353	0.805	20	30		CCEDRM
C=CCCC[C@@H](C)NC(=O)C(=O)N(C)CCC(=O)[O-]	ZINC000420549594	390011640	/nfs/dbraw/zinc/01/16/40/390011640.db2.gz	DOALVJGDTMROJU-SNVBAGLBSA-N	-1	0	270.329	0.781	20	30		CCEDRM
C=C(C)[C@H]1OCC[C@@H]1CNC(=O)C(=O)NCCCC(=O)[O-]	ZINC000420578370	390013814	/nfs/dbraw/zinc/01/38/14/390013814.db2.gz	HOBTVUDWSBOUAS-ZYHUDNBSSA-N	-1	0	298.339	0.065	20	30		CCEDRM
C#C[C@H](CC)NC(=O)C(=O)N=c1[n-]nc(C(C)(C)C)s1	ZINC000491569802	390115066	/nfs/dbraw/zinc/11/50/66/390115066.db2.gz	XZAGLQYSRQQEJO-MRVPVSSYSA-N	-1	0	294.380	0.724	20	30		CCEDRM
C=CCn1cc(C(=O)N=c2nc([C@H](C)OC)[n-]s2)nn1	ZINC000648383809	390365143	/nfs/dbraw/zinc/36/51/43/390365143.db2.gz	IOZFTSDBRRBVKS-ZETCQYMHSA-N	-1	0	294.340	0.697	20	30		CCEDRM
COc1cccc(S([O-])=CC(=O)NC2(C#N)CC2)c1	ZINC000564865518	390497441	/nfs/dbraw/zinc/49/74/41/390497441.db2.gz	UGHGOKCSVKROSP-IBGZPJMESA-N	-1	0	278.333	0.975	20	30		CCEDRM
CC[C@@H](CCNS(=O)(=O)N(C)C[C@@H](C)C#N)C(=O)[O-]	ZINC000565054600	390499724	/nfs/dbraw/zinc/49/97/24/390499724.db2.gz	AGXSDVYXXURJRZ-UWVGGRQHSA-N	-1	0	291.373	0.413	20	30		CCEDRM
C=C[C@](C)(O)CC(=O)N=c1cc(C(=O)OCC)[n-][nH]1	ZINC000516220045	390480101	/nfs/dbraw/zinc/48/01/01/390480101.db2.gz	KSIZKELOZHLCMG-LBPRGKRZSA-N	-1	0	267.285	0.274	20	30		CCEDRM
C=C(CC)CNC(=O)C(=O)N1CC[C@H](C)[C@H](C(=O)[O-])C1	ZINC000516468028	390482226	/nfs/dbraw/zinc/48/22/26/390482226.db2.gz	NPEQZWDRHWXFIR-WDEREUQCSA-N	-1	0	282.340	0.638	20	30		CCEDRM
N#CC1(CNC(=O)C(=O)Nc2cccc(C(=O)[O-])c2)CC1	ZINC000520811753	390589301	/nfs/dbraw/zinc/58/93/01/390589301.db2.gz	SEIYTYYPCFLZFP-UHFFFAOYSA-N	-1	0	287.275	0.743	20	30		CCEDRM
C=CCOC[C@H](NC(=O)c1cn(C2CCC2)nn1)C(=O)[O-]	ZINC000649250761	390538523	/nfs/dbraw/zinc/53/85/23/390538523.db2.gz	WYIRAMLSJPIGRL-NSHDSACASA-N	-1	0	294.311	0.389	20	30		CCEDRM
C[C@@H](C#N)CN(C)C(=O)C(=O)Nc1cccc(C(=O)[O-])c1	ZINC000519770294	390541573	/nfs/dbraw/zinc/54/15/73/390541573.db2.gz	KNZBPJONLKNABN-VIFPVBQESA-N	-1	0	289.291	0.941	20	30		CCEDRM
CCOC[C@H](NS(=O)(=O)CC1(CC#N)CC1)C(=O)[O-]	ZINC000568001682	390711907	/nfs/dbraw/zinc/71/19/07/390711907.db2.gz	FHSATMHCANQFGU-VIFPVBQESA-N	-1	0	290.341	0.089	20	30		CCEDRM
C=C[C@H](CCC(=O)[O-])NS(=O)(=O)C[C@@H](C)C(=O)OC	ZINC000569076887	390715480	/nfs/dbraw/zinc/71/54/80/390715480.db2.gz	VQPTZZZQFJNHAX-RKDXNWHRSA-N	-1	0	293.341	0.134	20	30		CCEDRM
CC#CC[C@@H](CO)NC(=O)N=c1nc([C@H](C)OC)[n-]s1	ZINC000646407225	390678207	/nfs/dbraw/zinc/67/82/07/390678207.db2.gz	LDZMKOQXEUIUAM-IUCAKERBSA-N	-1	0	298.368	0.563	20	30		CCEDRM
CC(C)[C@H](CC(=O)[O-])NS(=O)(=O)N(C)C[C@@H](C)C#N	ZINC000567276295	390685633	/nfs/dbraw/zinc/68/56/33/390685633.db2.gz	CTMIVHAXDVQIIJ-UWVGGRQHSA-N	-1	0	291.373	0.412	20	30		CCEDRM
C=CC[C@@H](CO)CNc1ccc(C(=O)[O-])c(OC)n1	ZINC000571686384	390748856	/nfs/dbraw/zinc/74/88/56/390748856.db2.gz	AGVAKQDXZYCMBO-SECBINFHSA-N	-1	0	266.297	0.807	20	30		CCEDRM
C=CCCCS(=O)(=O)N1CC[C@](OC)(C(=O)[O-])C1	ZINC000530149343	390875427	/nfs/dbraw/zinc/87/54/27/390875427.db2.gz	BDOMUPDNJBNVPQ-LLVKDONJSA-N	-1	0	277.342	0.458	20	30		CCEDRM
C=C1CCN(S(=O)(=O)c2c(C(=O)[O-])cnn2C)CC1	ZINC000530155391	390875467	/nfs/dbraw/zinc/87/54/67/390875467.db2.gz	UAYMJUFPWKQXSQ-UHFFFAOYSA-N	-1	0	285.325	0.459	20	30		CCEDRM
CC(C)CCC(=O)N1CC(n2cc(C#N)c(=O)[n-]c2=O)C1	ZINC000530265810	390875917	/nfs/dbraw/zinc/87/59/17/390875917.db2.gz	IRRMCFQICTUPIW-UHFFFAOYSA-N	-1	0	290.323	0.640	20	30		CCEDRM
Cn1ccc(S(=O)(=O)[N-]c2cc(CC#N)ccn2)n1	ZINC000532162935	390879127	/nfs/dbraw/zinc/87/91/27/390879127.db2.gz	YZPIORSMGQJCES-UHFFFAOYSA-N	-1	0	277.309	0.682	20	30		CCEDRM
C=CCC[C@H](NC(=O)c1cn(CC=C)nn1)C(=O)[O-]	ZINC000647598362	390847855	/nfs/dbraw/zinc/84/78/55/390847855.db2.gz	LYRTZCKYWUTZCB-VIFPVBQESA-N	-1	0	264.285	0.613	20	30		CCEDRM
Cc1[n-][nH]c(=NC(=O)c2cnn3ccncc23)c1C#N	ZINC000357238740	144072013	/nfs/dbraw/zinc/07/20/13/144072013.db2.gz	GERAXIHVSZWXLG-UHFFFAOYSA-N	-1	0	267.252	0.307	20	30		CCEDRM
N#Cc1ccc(SCC(=O)NCc2n[nH]c(=O)[n-]2)cc1	ZINC000358957516	144188438	/nfs/dbraw/zinc/18/84/38/144188438.db2.gz	VVKURJQAZMTPLQ-UHFFFAOYSA-N	-1	0	289.320	0.790	20	30		CCEDRM
N#Cc1nc(NC(=O)c2cnc3n2CCCC3)[n-]c1C#N	ZINC000372155202	144355378	/nfs/dbraw/zinc/35/53/78/144355378.db2.gz	DPYUHWJPDDOSIJ-UHFFFAOYSA-N	-1	0	281.279	0.938	20	30		CCEDRM
C[C@@H](C(=O)[O-])N(C)S(=O)(=O)c1ccsc1C#N	ZINC000593268922	397584830	/nfs/dbraw/zinc/58/48/30/397584830.db2.gz	HGUNHGCLMHJSAM-LURJTMIESA-N	-1	0	274.323	0.713	20	30		CCEDRM
N#Cc1ccc(S(=O)(=O)N2CC[C@H](CC(=O)[O-])C2)o1	ZINC000548768341	286066723	/nfs/dbraw/zinc/06/67/23/286066723.db2.gz	NHSNHBQTKFSEJJ-MRVPVSSYSA-N	-1	0	284.293	0.637	20	30		CCEDRM
CC[C@@H](CNS(=O)(=O)c1ccc(C#N)o1)CC(=O)[O-]	ZINC000548768449	286066817	/nfs/dbraw/zinc/06/68/17/286066817.db2.gz	UHVRHJIKVCVTKV-MRVPVSSYSA-N	-1	0	286.309	0.930	20	30		CCEDRM
N#Cc1ccc(S(=O)(=O)NC2(C(=O)[O-])CC2)c(F)c1	ZINC000548771325	286067012	/nfs/dbraw/zinc/06/70/12/286067012.db2.gz	URMCCJWZZQOGBU-UHFFFAOYSA-N	-1	0	284.268	0.593	20	30		CCEDRM
C=CCCNC(=O)C(=O)Nc1ccn(C(C)(C)C(=O)[O-])n1	ZINC000659065333	413270134	/nfs/dbraw/zinc/27/01/34/413270134.db2.gz	VWXQFJFTOZNKCA-UHFFFAOYSA-N	-1	0	294.311	0.334	20	30		CCEDRM
C=CCN(C(=O)Cn1cc(C(=O)[O-])nn1)[C@H](C)COC	ZINC000659193896	413336333	/nfs/dbraw/zinc/33/63/33/413336333.db2.gz	WMHDJBCIPPFKIT-SECBINFHSA-N	-1	0	282.300	0.026	20	30		CCEDRM
C=CCCOCC(=O)N1CC[C@H](OC)C[C@@H]1C(=O)[O-]	ZINC000659220965	413344226	/nfs/dbraw/zinc/34/42/26/413344226.db2.gz	KDBZGYQUYIFUEZ-WDEREUQCSA-N	-1	0	271.313	0.670	20	30		CCEDRM
C=CCCOCC(=O)N1CC[C@@H](OC)C[C@@H]1C(=O)[O-]	ZINC000659220962	413344664	/nfs/dbraw/zinc/34/46/64/413344664.db2.gz	KDBZGYQUYIFUEZ-GHMZBOCLSA-N	-1	0	271.313	0.670	20	30		CCEDRM
C=C(CC)CNC(=O)C(=O)N=c1ncn(C(C)C)[n-]1	ZINC000651842130	411942983	/nfs/dbraw/zinc/94/29/83/411942983.db2.gz	KOHYZIAWLPNBBC-UHFFFAOYSA-N	-1	0	265.317	0.302	20	30		CCEDRM
C=CCOC[C@@H](NC(=O)C[C@H](OC)C(F)(F)F)C(=O)[O-]	ZINC000652070961	411985794	/nfs/dbraw/zinc/98/57/94/411985794.db2.gz	BZUFXEXDGAXHPP-SFYZADRCSA-N	-1	0	299.245	0.726	20	30		CCEDRM
C=CCn1cc(C(=O)N(C)[C@H](CC)C(=O)[O-])nn1	ZINC000653344943	412291558	/nfs/dbraw/zinc/29/15/58/412291558.db2.gz	HQWRRKLCYJOEIJ-SECBINFHSA-N	-1	0	252.274	0.399	20	30		CCEDRM
C=CCOCCCNC(=O)N1C[C@@H]2COC[C@]2(C(=O)[O-])C1	ZINC000659415064	413484424	/nfs/dbraw/zinc/48/44/24/413484424.db2.gz	YCIHAOOYKLUUHT-BXUZGUMPSA-N	-1	0	298.339	0.322	20	30		CCEDRM
C=CCN(C(=O)NC[C@H](C)C(=O)[O-])[C@H](C)COC	ZINC000659413702	413484443	/nfs/dbraw/zinc/48/44/43/413484443.db2.gz	XEXUCPWBDGGNHD-VHSXEESVSA-N	-1	0	258.318	0.940	20	30		CCEDRM
C[C@@H](C(=O)N(C)C)S(=O)(=O)[N-]c1ccc(C#N)cn1	ZINC000285280095	196239462	/nfs/dbraw/zinc/23/94/62/196239462.db2.gz	QFQWZFHYVFKJTB-QMMMGPOBSA-N	-1	0	282.325	0.172	20	30		CCEDRM
N#Cc1ccc(S(=O)(=O)N[C@@H](CC2CC2)C(=O)[O-])cn1	ZINC000285287699	196241346	/nfs/dbraw/zinc/24/13/46/196241346.db2.gz	XBXRUHZGCKFVIC-NSHDSACASA-N	-1	0	295.320	0.485	20	30		CCEDRM
CCN(C[C@H](C)C#N)S(=O)(=O)c1n[nH]cc1C(=O)[O-]	ZINC000037838205	173795269	/nfs/dbraw/zinc/79/52/69/173795269.db2.gz	ILXAPNDZGCKMME-SSDOTTSWSA-N	-1	0	286.313	0.278	20	30		CCEDRM
CN(CCC(=O)[O-])S(=O)(=O)c1cccc(C#N)c1	ZINC000037932466	173871620	/nfs/dbraw/zinc/87/16/20/173871620.db2.gz	UAGYVYYGAAOSDL-UHFFFAOYSA-N	-1	0	268.294	0.653	20	30		CCEDRM
C=CCOCCCC(=O)NC1(C(=O)[O-])CCOCC1	ZINC000663143104	415005775	/nfs/dbraw/zinc/00/57/75/415005775.db2.gz	HSLIPTNFYRWCIX-UHFFFAOYSA-N	-1	0	271.313	0.719	20	30		CCEDRM
C=CCOCCNC(=O)C[C@]1(C(=O)[O-])CCOC1	ZINC000663230419	415023575	/nfs/dbraw/zinc/02/35/75/415023575.db2.gz	SQMKYFDNRFJJBW-GFCCVEGCSA-N	-1	0	257.286	0.187	20	30		CCEDRM
Cc1cc(N=C([O-])CN2C(=O)CN(C)C2=O)cn(C)c1=O	ZINC000330259359	228082772	/nfs/dbraw/zinc/08/27/72/228082772.db2.gz	NHUVURURCLHACA-UHFFFAOYSA-N	-1	0	292.295	0.176	20	30		CCEDRM
C=CCOCCNS(=O)(=O)c1ccsc1C(=O)[O-]	ZINC000305999985	545009437	/nfs/dbraw/zinc/00/94/37/545009437.db2.gz	IKTKXQWUUQWFKJ-UHFFFAOYSA-N	-1	0	291.350	0.927	20	30		CCEDRM
O=C(NCc1n[nH]c(=O)[n-]1)[C@H]1COCCN1C1CCCC1	ZINC000329303431	545021680	/nfs/dbraw/zinc/02/16/80/545021680.db2.gz	XHGXEQYFCKFXAV-SNVBAGLBSA-N	-1	0	295.343	0.610	20	30		CCEDRM
N#C[C@H]1COCCN1S(=O)(=O)c1ccc(C(=O)[O-])cc1	ZINC000273635951	263018722	/nfs/dbraw/zinc/01/87/22/263018722.db2.gz	BCRBZYHIJJKAIY-JTQLQIEISA-N	-1	0	296.304	0.298	20	30		CCEDRM
CC(C)([N-]C(=O)C(F)(F)F)C(=O)N1CCO[C@@H](C#N)C1	ZINC000277457800	263041337	/nfs/dbraw/zinc/04/13/37/263041337.db2.gz	GWHFZZBRMCRFEP-ZETCQYMHSA-N	-1	0	293.245	0.194	20	30		CCEDRM
C=CC[C@@H](NS(=O)(=O)N(C)C(C)C)C(=O)[O-]	ZINC000127537633	264255929	/nfs/dbraw/zinc/25/59/29/264255929.db2.gz	FNSIRDKRTUXTKK-MRVPVSSYSA-N	-1	0	250.320	0.190	20	30		CCEDRM
C#CCO[N-]C(=O)[C@@H](c1ccccc1F)N1CCOCC1	ZINC000291310692	264820150	/nfs/dbraw/zinc/82/01/50/264820150.db2.gz	RQAIGJRAKGRTAO-CQSZACIVSA-N	-1	0	292.310	0.880	20	30		CCEDRM
C#CCCNC(=O)N=c1[n-]nc(-c2c[nH]nc2C)s1	ZINC000372510526	267573918	/nfs/dbraw/zinc/57/39/18/267573918.db2.gz	BMZKTXRFQWXPIS-UHFFFAOYSA-N	-1	0	276.325	0.803	20	30		CCEDRM
N#Cc1ncccc1S(=O)(=O)NC1(CC(N)=O)CCC1	ZINC000428396088	268324359	/nfs/dbraw/zinc/32/43/59/268324359.db2.gz	GFAGNRWGDONZQX-UHFFFAOYSA-N	-1	0	294.336	0.030	20	30		CCEDRM
C[C@@H](C#N)CN(C)S(=O)(=O)NCC1(C(=O)[O-])CCC1	ZINC000563227689	327983206	/nfs/dbraw/zinc/98/32/06/327983206.db2.gz	YQBOAXJWSLWMQH-VIFPVBQESA-N	-1	0	289.357	0.167	20	30		CCEDRM
C=CCCCCCNC(=O)C(=O)N1CC[C@H](C(=O)[O-])C1	ZINC000563426278	328065786	/nfs/dbraw/zinc/06/57/86/328065786.db2.gz	ZSXFNVKJAFYNHQ-NSHDSACASA-N	-1	0	282.340	0.782	20	30		CCEDRM
C=CCCCCCNC(=O)C(=O)N1CC[C@@H](C(=O)[O-])C1	ZINC000563426277	328065842	/nfs/dbraw/zinc/06/58/42/328065842.db2.gz	ZSXFNVKJAFYNHQ-LLVKDONJSA-N	-1	0	282.340	0.782	20	30		CCEDRM
CCN(C[C@H](C)C#N)S(=O)(=O)NC1(C(=O)[O-])CCC1	ZINC000571288638	328098515	/nfs/dbraw/zinc/09/85/15/328098515.db2.gz	DWZAFRXPFPHKOR-SECBINFHSA-N	-1	0	289.357	0.310	20	30		CCEDRM
C=C(C)CS(=O)(=O)N1CCSC[C@@H]1CC(=O)[O-]	ZINC000571400777	328119106	/nfs/dbraw/zinc/11/91/06/328119106.db2.gz	XUCJVBDJRNJCLU-VIFPVBQESA-N	-1	0	279.383	0.784	20	30		CCEDRM
C#CCN(CC#N)S(=O)(=O)c1cc(C)c(C(=O)[O-])s1	ZINC000281042597	328238581	/nfs/dbraw/zinc/23/85/81/328238581.db2.gz	POUQFAOAPQYPLR-UHFFFAOYSA-N	-1	0	298.345	0.902	20	30		CCEDRM
C=CCOc1ccc(C(=O)NC[C@@](C)(O)C(=O)[O-])cc1	ZINC000090276072	327087565	/nfs/dbraw/zinc/08/75/65/327087565.db2.gz	WRPGFLFJYUOORP-CQSZACIVSA-N	-1	0	279.292	0.817	20	30		CCEDRM
C[C@@H]1CN(S(=O)(=O)CCCC#N)[C@@H](C(=O)[O-])[C@@H](C)O1	ZINC000578193350	327304326	/nfs/dbraw/zinc/30/43/26/327304326.db2.gz	TUOFGBUXHRSPSA-OPRDCNLKSA-N	-1	0	290.341	0.182	20	30		CCEDRM
N#C[C@@H]1CN(C(=O)N=c2[n-]nc(C3CC3)s2)CCO1	ZINC000560903135	327351124	/nfs/dbraw/zinc/35/11/24/327351124.db2.gz	KONSRDJOGYILIN-MRVPVSSYSA-N	-1	0	279.325	0.594	20	30		CCEDRM
C[C@H]1C[C@@H](C(=O)[O-])CCN1S(=O)(=O)CC1(C#N)CC1	ZINC000530419948	329381503	/nfs/dbraw/zinc/38/15/03/329381503.db2.gz	DHTNKNQDZIQJRY-UWVGGRQHSA-N	-1	0	286.353	0.805	20	30		CCEDRM
CC(C)(CC#N)CNC(=O)C(=O)N1CC[C@](C)(C(=O)[O-])C1	ZINC000420589327	329778301	/nfs/dbraw/zinc/77/83/01/329778301.db2.gz	UKWFDDLFTQFXEY-AWEZNQCLSA-N	-1	0	295.339	0.366	20	30		CCEDRM
CCN(CCC(=O)[O-])C(=O)C1(C#N)CCOCC1	ZINC000262359430	330010632	/nfs/dbraw/zinc/01/06/32/330010632.db2.gz	CTVDMDPVMYJWJG-UHFFFAOYSA-N	-1	0	254.286	0.630	20	30		CCEDRM
N#CCCCCS(=O)(=O)N1CCC[C@@H](C(=O)[O-])C1	ZINC000262572826	330021886	/nfs/dbraw/zinc/02/18/86/330021886.db2.gz	ZJKCNVJWEYWUSK-SNVBAGLBSA-N	-1	0	274.342	0.807	20	30		CCEDRM
C=CCC[C@@H](NC(=O)CS(=O)(=O)CCC)C(=O)[O-]	ZINC000262786300	330031341	/nfs/dbraw/zinc/03/13/41/330031341.db2.gz	BMRJNBFDYOEBBN-SECBINFHSA-N	-1	0	277.342	0.347	20	30		CCEDRM
C=CCOC[C@H](NC(=O)C[C@H]1CCCCO1)C(=O)[O-]	ZINC000262878811	330032522	/nfs/dbraw/zinc/03/25/22/330032522.db2.gz	BYLQOUXIGNBMTR-MNOVXSKESA-N	-1	0	271.313	0.718	20	30		CCEDRM
C#CCOc1ccc(C(=O)N[C@H](COC)C(=O)[O-])cc1	ZINC000262943274	330037322	/nfs/dbraw/zinc/03/73/22/330037322.db2.gz	KVVYGAXZNPGVSK-GFCCVEGCSA-N	-1	0	277.276	0.528	20	30		CCEDRM
C=C(C)CS(=O)(=O)N1C[C@H](C)C[C@H](C(=O)[O-])C1	ZINC000263290471	330051796	/nfs/dbraw/zinc/05/17/96/330051796.db2.gz	YQXIBWYXFYTERX-ZJUUUORDSA-N	-1	0	261.343	0.935	20	30		CCEDRM
C#C[C@@H](NC(=O)N(C)CCC(=O)[O-])[C@H]1CCCO1	ZINC000263420660	330054996	/nfs/dbraw/zinc/05/49/96/330054996.db2.gz	WTWMIRRYHJUXSS-NXEZZACHSA-N	-1	0	254.286	0.283	20	30		CCEDRM
C#CCNC(=O)c1ccc(N(CCC)CC(=O)[O-])nc1	ZINC000263431530	330055474	/nfs/dbraw/zinc/05/54/74/330055474.db2.gz	SZPZNSVTBSBRTI-UHFFFAOYSA-N	-1	0	275.308	0.746	20	30		CCEDRM
N#CCC1(CS(=O)(=O)N2CCC[C@@H](C(=O)[O-])C2)CC1	ZINC000263480381	330057531	/nfs/dbraw/zinc/05/75/31/330057531.db2.gz	KQMGZQRHWVLJKR-SNVBAGLBSA-N	-1	0	286.353	0.807	20	30		CCEDRM
CCC[C@H](NS(=O)(=O)N(C)[C@H](C)CC#N)C(=O)[O-]	ZINC000263516172	330058630	/nfs/dbraw/zinc/05/86/30/330058630.db2.gz	ZZZGUTCJBQNIAQ-BDAKNGLRSA-N	-1	0	277.346	0.308	20	30		CCEDRM
CCCC[C@@H](NS(=O)(=O)N(C)[C@@H](C)CC#N)C(=O)[O-]	ZINC000263550868	330059352	/nfs/dbraw/zinc/05/93/52/330059352.db2.gz	KSGXWHJJJIZWNJ-VHSXEESVSA-N	-1	0	291.373	0.698	20	30		CCEDRM
C=CCCN(C)C(=O)C(=O)N1C[C@H](C)C[C@@H](C(=O)[O-])C1	ZINC000422879700	330158874	/nfs/dbraw/zinc/15/88/74/330158874.db2.gz	WBFPINAVDGBMCC-GHMZBOCLSA-N	-1	0	282.340	0.590	20	30		CCEDRM
CC#CCN(C)C(=O)C(=O)N1C[C@@H]2CCC[C@@]2(C(=O)[O-])C1	ZINC000422943572	330161734	/nfs/dbraw/zinc/16/17/34/330161734.db2.gz	YGBHPJORRPKZBG-XHDPSFHLSA-N	-1	0	292.335	0.181	20	30		CCEDRM
CN(CC(C)(C)C#N)C(=O)C(=O)N1CCC[C@@H](C(=O)[O-])C1	ZINC000422948106	330163709	/nfs/dbraw/zinc/16/37/09/330163709.db2.gz	ZRYULZNDKZHENS-SNVBAGLBSA-N	-1	0	295.339	0.318	20	30		CCEDRM
C=CCC1(C(=O)N2CCO[C@H](C(=O)[O-])C2)CCOCC1	ZINC000424228963	330330734	/nfs/dbraw/zinc/33/07/34/330330734.db2.gz	VNJRUHCZGAILKO-NSHDSACASA-N	-1	0	283.324	0.671	20	30		CCEDRM
CCC(CC)(CNC(=O)C(=O)NCCCC#N)C(=O)[O-]	ZINC000424492924	330357363	/nfs/dbraw/zinc/35/73/63/330357363.db2.gz	NKBFRJXNHVPMLR-UHFFFAOYSA-N	-1	0	283.328	0.414	20	30		CCEDRM
C=CCC[C@H](NC(=O)C(=O)c1c(C)nn(C)c1C)C(=O)[O-]	ZINC000448990897	330890474	/nfs/dbraw/zinc/89/04/74/330890474.db2.gz	IGGVLEOGHBKCIO-JTQLQIEISA-N	-1	0	293.323	0.755	20	30		CCEDRM
C=CCC[C@H](CO)N=c1nc(CCOC)[n-]s1	ZINC000450891397	331005163	/nfs/dbraw/zinc/00/51/63/331005163.db2.gz	AFPJLEYKNBJGBJ-SECBINFHSA-N	-1	0	257.359	0.888	20	30		CCEDRM
C#CCN(C)C(=O)N=c1[n-]nc(CCCC(=O)OC)s1	ZINC000491192371	332163123	/nfs/dbraw/zinc/16/31/23/332163123.db2.gz	NTDNTDDKSDBHSW-UHFFFAOYSA-N	-1	0	296.352	0.553	20	30		CCEDRM
C#CCN(C)C(=O)N=c1[n-]nc(-c2c[nH]nc2C)s1	ZINC000491667154	332275391	/nfs/dbraw/zinc/27/53/91/332275391.db2.gz	KYZORBGLASJVLD-UHFFFAOYSA-N	-1	0	276.325	0.755	20	30		CCEDRM
C#CCN(CC(=O)Nc1nnn[n-]1)[C@@H]1CCc2ccccc21	ZINC000491727953	332310780	/nfs/dbraw/zinc/31/07/80/332310780.db2.gz	CPVNVPCSPKNXBH-CYBMUJFWSA-N	-1	0	296.334	0.761	20	30		CCEDRM
C#C[C@@H]1COCCN1C(=O)N=c1nc([C@H](C)OC)[n-]s1	ZINC000491778595	332343820	/nfs/dbraw/zinc/34/38/20/332343820.db2.gz	GHEOTMAPQQBUOH-DTWKUNHWSA-N	-1	0	296.352	0.533	20	30		CCEDRM
C#C[C@@H]1COCCN1C(=O)N=c1nc([C@@H](C)OC)[n-]s1	ZINC000491778602	332343857	/nfs/dbraw/zinc/34/38/57/332343857.db2.gz	GHEOTMAPQQBUOH-RKDXNWHRSA-N	-1	0	296.352	0.533	20	30		CCEDRM
C#CCN(C(=O)C(=O)NCCC(=O)[O-])C1CCCCC1	ZINC000491786418	332349123	/nfs/dbraw/zinc/34/91/23/332349123.db2.gz	TWZMMMHMXRMYSH-UHFFFAOYSA-N	-1	0	280.324	0.372	20	30		CCEDRM
C#C[C@H](NC(=O)N=c1ncn(CC(=O)OCC)[n-]1)C(C)C	ZINC000491806109	332359513	/nfs/dbraw/zinc/35/95/13/332359513.db2.gz	QGVRGDWANTWANG-JTQLQIEISA-N	-1	0	293.327	0.042	20	30		CCEDRM
C=CCS(=O)(=O)[N-]C(=O)/C=C\c1nccn1CC	ZINC000492549064	332402690	/nfs/dbraw/zinc/40/26/90/332402690.db2.gz	KLKOMSRREXONAM-WAYWQWQTSA-N	-1	0	269.326	0.548	20	30		CCEDRM
N#CC1(CS(=O)(=O)[N-]C(=O)/C=C\C2CC2)CC1	ZINC000492915562	332418515	/nfs/dbraw/zinc/41/85/15/332418515.db2.gz	WTBJSWNZZBWJDN-ARJAWSKDSA-N	-1	0	254.311	0.702	20	30		CCEDRM
C=CCOC[C@@H](NS(=O)(=O)CCCCF)C(=O)[O-]	ZINC000516864687	333084656	/nfs/dbraw/zinc/08/46/56/333084656.db2.gz	DHFXGVUMKZMJIJ-SECBINFHSA-N	-1	0	283.321	0.311	20	30		CCEDRM
C#CCN(CC#C)S(=O)(=O)c1ccc(F)c(C(=O)[O-])c1	ZINC000185039370	333134887	/nfs/dbraw/zinc/13/48/87/333134887.db2.gz	SWAFOTYVRNAKFK-UHFFFAOYSA-N	-1	0	295.291	0.781	20	30		CCEDRM
C=CCN1CC[C@H](n2[n-]c(SC)nc2=O)C1=O	ZINC000539708352	333686622	/nfs/dbraw/zinc/68/66/22/333686622.db2.gz	SUEMRWSBADJWBP-ZETCQYMHSA-N	-1	0	254.315	0.253	20	30		CCEDRM
C=C(C)CS(=O)(=O)NCCSCC(=O)[O-]	ZINC000564327545	334107379	/nfs/dbraw/zinc/10/73/79/334107379.db2.gz	UQOGMFIAEVFEFH-UHFFFAOYSA-N	-1	0	253.345	0.300	20	30		CCEDRM
N#CC1(CS(=O)(=O)N2C[C@@H]3CCC[C@H]3[C@H]2C(=O)[O-])CC1	ZINC000548027999	334135671	/nfs/dbraw/zinc/13/56/71/334135671.db2.gz	KVENTBSFQYNVRU-AXFHLTTASA-N	-1	0	298.364	0.805	20	30		CCEDRM
CN(CCC#N)S(=O)(=O)Nc1ccc(C(=O)[O-])cc1	ZINC000548210760	334146571	/nfs/dbraw/zinc/14/65/71/334146571.db2.gz	FEDPBTQIHXAGNN-UHFFFAOYSA-N	-1	0	283.309	0.887	20	30		CCEDRM
C[C@@H]1CCN(S(=O)(=O)N(C)CCC#N)[C@@H](C(=O)[O-])C1	ZINC000548250930	334147200	/nfs/dbraw/zinc/14/72/00/334147200.db2.gz	YTHSOSSAWAXDSJ-NXEZZACHSA-N	-1	0	289.357	0.262	20	30		CCEDRM
CC[C@@](C)(CNS(=O)(=O)N(C)CCC#N)C(=O)[O-]	ZINC000548544059	334162514	/nfs/dbraw/zinc/16/25/14/334162514.db2.gz	RAUXAPUJOQIATH-JTQLQIEISA-N	-1	0	277.346	0.167	20	30		CCEDRM
CCC[C@H](O)[C@@H](NS(=O)(=O)CCCCC#N)C(=O)[O-]	ZINC000548592332	334163307	/nfs/dbraw/zinc/16/33/07/334163307.db2.gz	CKZQWMUMOLRNIN-VHSXEESVSA-N	-1	0	292.357	0.214	20	30		CCEDRM
C=CCN(CC(=O)[O-])S(=O)(=O)c1ccc(C#N)cc1	ZINC000092463899	334419130	/nfs/dbraw/zinc/41/91/30/334419130.db2.gz	SKAPJZVRMCRQLG-UHFFFAOYSA-N	-1	0	280.305	0.820	20	30		CCEDRM
C=CCN(CC(=O)[O-])S(=O)(=O)N1CCC[C@H](C)C1	ZINC000092464015	334419135	/nfs/dbraw/zinc/41/91/35/334419135.db2.gz	PZTGIWVWYBMIMY-JTQLQIEISA-N	-1	0	276.358	0.536	20	30		CCEDRM
COc1cccc(S([O-])=CC(=O)NC2(C#N)CC2)c1	ZINC000564865523	334525047	/nfs/dbraw/zinc/52/50/47/334525047.db2.gz	UGHGOKCSVKROSP-LJQANCHMSA-N	-1	0	278.333	0.975	20	30		CCEDRM
C=C[C@H](CCC(=O)[O-])NS(=O)(=O)N1CCC[C@@H]1C	ZINC000565523732	334570867	/nfs/dbraw/zinc/57/08/67/334570867.db2.gz	GSMOXVDYDXZEPD-VHSXEESVSA-N	-1	0	276.358	0.725	20	30		CCEDRM
C=C(C)COCCNC(=O)N1CCOC[C@H]1C(=O)[O-]	ZINC000166868321	334918722	/nfs/dbraw/zinc/91/87/22/334918722.db2.gz	DNUBGHYTXXHPPU-JTQLQIEISA-N	-1	0	272.301	0.074	20	30		CCEDRM
N#CC1(CNS(=O)(=O)[N-]CC(F)(F)F)CC1	ZINC000576457920	335205841	/nfs/dbraw/zinc/20/58/41/335205841.db2.gz	PINSQBCKYUSOEB-UHFFFAOYSA-N	-1	0	257.237	0.276	20	30		CCEDRM
C[C@H]1CCN(S(=O)(=O)CC2(CC#N)CC2)[C@@H]1C(=O)[O-]	ZINC000577519258	335364036	/nfs/dbraw/zinc/36/40/36/335364036.db2.gz	UCLLMFNZPQOQMN-UWVGGRQHSA-N	-1	0	286.353	0.805	20	30		CCEDRM
CC(C)[C@@H](CNS(=O)(=O)N(C)[C@@H](C)CC#N)C(=O)[O-]	ZINC000581194404	336022757	/nfs/dbraw/zinc/02/27/57/336022757.db2.gz	BOCMITVXVOASLK-VHSXEESVSA-N	-1	0	291.373	0.412	20	30		CCEDRM
C=CCOC[C@H](NC(=O)NC1CC(C)C1)C(=O)[O-]	ZINC000581704389	336131304	/nfs/dbraw/zinc/13/13/04/336131304.db2.gz	DTMBIXSZNKWJRX-RTBKNWGFSA-N	-1	0	256.302	0.740	20	30		CCEDRM
C[C@@H](Oc1ccc(C#N)cc1)C(=O)NCc1n[nH]c(=O)[n-]1	ZINC000358350669	533920496	/nfs/dbraw/zinc/92/04/96/533920496.db2.gz	DBGOUKJDHVPKRC-MRVPVSSYSA-N	-1	0	287.279	0.466	20	30		CCEDRM
O=C(N=c1cn[n-]s1)N1CCOC[C@H]1[C@H]1CCCO1	ZINC000329238247	534331524	/nfs/dbraw/zinc/33/15/24/534331524.db2.gz	KZBFJROVEDCMBC-DTWKUNHWSA-N	-1	0	284.341	0.963	20	30		CCEDRM
N#Cc1cc(NCCc2nc(=N)[n-]o2)ccc1[N+](=O)[O-]	ZINC000361708972	534777010	/nfs/dbraw/zinc/77/70/10/534777010.db2.gz	SKWOXXLAZAKSDW-UHFFFAOYSA-N	-1	0	274.240	0.917	20	30		CCEDRM
C=C[C@H](C)NC(=O)C(=O)N=c1ncn(C(C)(C)C)[n-]1	ZINC000344572137	527554375	/nfs/dbraw/zinc/55/43/75/527554375.db2.gz	WUEXCLNIKIKGGT-QMMMGPOBSA-N	-1	0	265.317	0.084	20	30		CCEDRM
CC(C)n1cc(C#N)c(=NC(=O)C(=O)N[C@@H]2CC23CC3)[n-]1	ZINC000425795625	528546778	/nfs/dbraw/zinc/54/67/78/528546778.db2.gz	GFGZGNCAGLLQJC-SNVBAGLBSA-N	-1	0	287.323	0.365	20	30		CCEDRM
CCC[C@@H](NC(=O)C1(C#N)CCOCC1)C(=O)[O-]	ZINC000347409151	528971115	/nfs/dbraw/zinc/97/11/15/528971115.db2.gz	HNQSUAIODOFHRR-SECBINFHSA-N	-1	0	254.286	0.676	20	30		CCEDRM
C=CC[C@H](NS(=O)(=O)N1CCC[C@@H]1C)C(=O)[O-]	ZINC000681558707	545456197	/nfs/dbraw/zinc/45/61/97/545456197.db2.gz	VRTUNYPAGDFIEL-IUCAKERBSA-N	-1	0	262.331	0.334	20	30		CCEDRM
C=CC[C@@H](NS(=O)(=O)c1cnc2n1CCC2)C(=O)[O-]	ZINC000681557423	545456008	/nfs/dbraw/zinc/45/60/08/545456008.db2.gz	ACDMWMDQZUMFIJ-MRVPVSSYSA-N	-1	0	285.325	0.137	20	30		CCEDRM
C[C@H]1OC(=O)N[C@H]1C(=O)Nc1cc(C#N)ccc1[O-]	ZINC000788662816	581120993	/nfs/dbraw/zinc/12/09/93/581120993.db2.gz	ZRNDNLZGOAPAPK-LHLIQPBNSA-N	-1	0	261.237	0.699	20	30		CCEDRM
CC#CCS(=O)(=O)[N-]C(=O)c1ccc(C)c([N+](=O)[O-])c1	ZINC000791110395	581207616	/nfs/dbraw/zinc/20/76/16/581207616.db2.gz	CQBSEHYPQBCYND-UHFFFAOYSA-N	-1	0	296.304	0.986	20	30		CCEDRM
CCCCCNC(=O)[C@@H](C#N)C(=O)CN(C)C(=O)[O-]	ZINC000739332288	581112322	/nfs/dbraw/zinc/11/23/22/581112322.db2.gz	SWDPNISABKPTFC-VIFPVBQESA-N	-1	0	269.301	0.611	20	30		CCEDRM
N#C[C@@H](C(=O)CCSCC(=O)[O-])C(=O)N1CCCC1	ZINC000739075744	581170802	/nfs/dbraw/zinc/17/08/02/581170802.db2.gz	VNRFDTVRKTZGAT-VIFPVBQESA-N	-1	0	284.337	0.526	20	30		CCEDRM
C#CCCCCCC(=O)NCCc1nc(=O)o[n-]1	ZINC000790079565	581176422	/nfs/dbraw/zinc/17/64/22/581176422.db2.gz	NEDZCCSDOPTSDY-UHFFFAOYSA-N	-1	0	251.286	0.605	20	30		CCEDRM
C[C@H](NC(=O)c1ccc(-n2ncc(C#N)c2N)cc1)C(=O)[O-]	ZINC000737682642	581216465	/nfs/dbraw/zinc/21/64/65/581216465.db2.gz	BSIDWKGOLXEBJB-QMMMGPOBSA-N	-1	0	299.290	0.529	20	30		CCEDRM
C=CCNC(=O)C(C#N)=C([O-])c1cc(C)nn1CC	ZINC000726321763	581236803	/nfs/dbraw/zinc/23/68/03/581236803.db2.gz	PQDJRUPEKXVICO-SNVBAGLBSA-N	-1	0	260.297	0.836	20	30		CCEDRM
Cn1ccnc(N=NCc2ccccc2C(=O)[O-])c1=O	ZINC000748079681	581265354	/nfs/dbraw/zinc/26/53/54/581265354.db2.gz	PQXVOTZDXHRKLZ-UHFFFAOYSA-N	-1	0	272.264	0.925	20	30		CCEDRM
COc1nccnc1C=NNc1nnc(C)c(=O)[n-]1	ZINC000792918194	581276067	/nfs/dbraw/zinc/27/60/67/581276067.db2.gz	WYGNCGHRUZLFIZ-UHFFFAOYSA-N	-1	0	261.245	0.130	20	30		CCEDRM
CC[C@H](NNC1=CC(=O)N2CCCC[C@H]12)C(=O)[O-]	ZINC000793057234	581283318	/nfs/dbraw/zinc/28/33/18/581283318.db2.gz	MZDONQIDPWAHMX-WCBMZHEXSA-N	-1	0	253.302	0.580	20	30		CCEDRM
N#CC1(CS(=O)(=O)[N-]C(=O)C[C@@H]2CCCOC2)CC1	ZINC000793195994	581287902	/nfs/dbraw/zinc/28/79/02/581287902.db2.gz	DZGOQUOVNHJRPD-JTQLQIEISA-N	-1	0	286.353	0.553	20	30		CCEDRM
N#CC1(C(=O)N2CCC[C@H](NC(=O)[O-])C2)CCOCC1	ZINC000738420938	581313935	/nfs/dbraw/zinc/31/39/35/581313935.db2.gz	AARXQKXYUBSRBS-JTQLQIEISA-N	-1	0	281.312	0.565	20	30		CCEDRM
N#C[C@H](NC(=O)COCCNC(=O)[O-])c1ccc(F)cc1	ZINC000740302614	581322117	/nfs/dbraw/zinc/32/21/17/581322117.db2.gz	BZNDEFBPCZKZCQ-NSHDSACASA-N	-1	0	295.270	0.791	20	30		CCEDRM
N#CCCCS(=O)(=O)NC[C@@H]1CCCN(C(=O)[O-])C1	ZINC000740307140	581323035	/nfs/dbraw/zinc/32/30/35/581323035.db2.gz	OQFICTDIPUFHDJ-JTQLQIEISA-N	-1	0	289.357	0.600	20	30		CCEDRM
N#CCSCC(=O)NCC[C@@H]1CCN(C(=O)[O-])C1	ZINC000740310810	581323487	/nfs/dbraw/zinc/32/34/87/581323487.db2.gz	NRITZHRHPWQKOT-SECBINFHSA-N	-1	0	271.342	0.749	20	30		CCEDRM
COCCCC(=O)OCc1cc(=O)n2[n-]cc(C#N)c2n1	ZINC000783025063	581334465	/nfs/dbraw/zinc/33/44/65/581334465.db2.gz	MTZAOOYVOGKVSU-UHFFFAOYSA-N	-1	0	290.279	0.776	20	30		CCEDRM
N#CCOc1ccc(CNC(=O)c2n[nH]c(=O)[n-]2)cc1	ZINC000727859666	581336956	/nfs/dbraw/zinc/33/69/56/581336956.db2.gz	XGEUDTWOEKYYCT-UHFFFAOYSA-N	-1	0	273.252	0.343	20	30		CCEDRM
C=CCS(=O)(=O)[N-]C(=O)[C@H](CC(C)C)NC(C)=O	ZINC000783414212	581346430	/nfs/dbraw/zinc/34/64/30/581346430.db2.gz	MBNSZIVFZVIQOZ-JTQLQIEISA-N	-1	0	276.358	0.169	20	30		CCEDRM
C=CCCOCC(=O)NC[C@@H]1CCCN1C(=O)[O-]	ZINC000738494214	581361439	/nfs/dbraw/zinc/36/14/39/581361439.db2.gz	XLGYIIYASCFMIJ-JTQLQIEISA-N	-1	0	256.302	0.838	20	30		CCEDRM
N#Cc1ccc(C(=O)[N-]S(=O)(=O)C[C@H]2CCCCO2)o1	ZINC000796821835	581363171	/nfs/dbraw/zinc/36/31/71/581363171.db2.gz	FGZGSZMJCZWVHO-SNVBAGLBSA-N	-1	0	298.320	0.780	20	30		CCEDRM
CS(=O)(=O)NN=Cc1ccc(C(=O)[O-])cc1Cl	ZINC000783854219	581366104	/nfs/dbraw/zinc/36/61/04/581366104.db2.gz	NFAUUDLPWMRVCU-UHFFFAOYSA-N	-1	0	276.701	0.921	20	30		CCEDRM
Cc1c(CC(=O)[N-]S(=O)(=O)CC2(C#N)CC2)cnn1C	ZINC000797063573	581368613	/nfs/dbraw/zinc/36/86/13/581368613.db2.gz	RBZZUDKYOLWIMW-UHFFFAOYSA-N	-1	0	296.352	0.021	20	30		CCEDRM
C=C(C)C[C@@H](C)C(=O)[N-]S(=O)(=O)[C@H](C)C(=O)OC	ZINC000797306258	581375644	/nfs/dbraw/zinc/37/56/44/581375644.db2.gz	PBDSCXNIRLWSQC-RKDXNWHRSA-N	-1	0	277.342	0.596	20	30		CCEDRM
Cn1cc(C(C)(C)C(=O)[N-]S(=O)(=O)CCCC#N)cn1	ZINC000784920181	581399187	/nfs/dbraw/zinc/39/91/87/581399187.db2.gz	BUCONGOXBKWLDQ-UHFFFAOYSA-N	-1	0	298.368	0.447	20	30		CCEDRM
CC(C)(C#N)CS(=O)(=O)[N-]C(=O)[C@@H]1CCCOCC1	ZINC000786479842	581442477	/nfs/dbraw/zinc/44/24/77/581442477.db2.gz	PCWLXNFWIVODKF-SNVBAGLBSA-N	-1	0	288.369	0.799	20	30		CCEDRM
CCOCCS(=O)(=O)[N-]C(=O)c1ccnc(C#N)c1	ZINC000796699442	581448627	/nfs/dbraw/zinc/44/86/27/581448627.db2.gz	HDNVRAIFPVAHLY-UHFFFAOYSA-N	-1	0	283.309	0.049	20	30		CCEDRM
C#CCOC(=O)[C@@H]([N-]C(=O)C(F)(F)F)C(C)C	ZINC000786779207	581448701	/nfs/dbraw/zinc/44/87/01/581448701.db2.gz	ZSXZUNQITDCKKD-ZETCQYMHSA-N	-1	0	251.204	0.866	20	30		CCEDRM
CS(=O)(=O)[N-]C(=O)C1(c2cc(F)cc(C#N)c2)CC1	ZINC000796727352	581449125	/nfs/dbraw/zinc/44/91/25/581449125.db2.gz	UQWZFWIQERJERL-UHFFFAOYSA-N	-1	0	282.296	0.805	20	30		CCEDRM
COC(=O)c1ccc(C([O-])=C(C#N)C(=O)N2CCCC2)[nH]1	ZINC000796743546	581449451	/nfs/dbraw/zinc/44/94/51/581449451.db2.gz	XWNWPIHKEHARSG-VIFPVBQESA-N	-1	0	289.291	0.746	20	30		CCEDRM
CO[C@H](C(=O)[N-]S(=O)(=O)CCCC#N)C1CC1	ZINC000796813065	581451171	/nfs/dbraw/zinc/45/11/71/581451171.db2.gz	TUDQFRQQJVJSEV-VIFPVBQESA-N	-1	0	260.315	0.161	20	30		CCEDRM
CO[C@@H](C(=O)[N-]S(=O)(=O)CC1(C#N)CCC1)C1CC1	ZINC000796852314	581452210	/nfs/dbraw/zinc/45/22/10/581452210.db2.gz	VDQDKTGVDJGLSP-SNVBAGLBSA-N	-1	0	286.353	0.551	20	30		CCEDRM
CC(C)(C#N)CC(=O)[N-]S(=O)(=O)c1cc[nH]n1	ZINC000796877944	581453151	/nfs/dbraw/zinc/45/31/51/581453151.db2.gz	XQKYSNHTUMGQFR-UHFFFAOYSA-N	-1	0	256.287	0.154	20	30		CCEDRM
CC(C)(C)OC(=O)C[C@](C)(C#N)C(=O)[N-]OCCO	ZINC000787283109	581464178	/nfs/dbraw/zinc/46/41/78/581464178.db2.gz	AOMYZFWCPUSDOF-GFCCVEGCSA-N	-1	0	272.301	0.288	20	30		CCEDRM
C=C(C)[C@@H](CC(=O)OCc1nn(C)c(=O)[n-]1)OCC	ZINC000765498286	581521210	/nfs/dbraw/zinc/52/12/10/581521210.db2.gz	VAVQNIKYCCTLBU-SECBINFHSA-N	-1	0	269.301	0.523	20	30		CCEDRM
CCCS(=O)(=O)[N-]C(=O)Cc1ccc(C#N)cc1	ZINC000739200779	581522506	/nfs/dbraw/zinc/52/25/06/581522506.db2.gz	KJPNUOUCMGIUHE-UHFFFAOYSA-N	-1	0	266.322	0.957	20	30		CCEDRM
CCn1cc(C([O-])=C(C#N)C(=O)N2CCCC2)cn1	ZINC000734079620	581542469	/nfs/dbraw/zinc/54/24/69/581542469.db2.gz	SGWOPYHUNMVZAM-NSHDSACASA-N	-1	0	260.297	0.848	20	30		CCEDRM
COCCCNC(=O)C(C#N)=C([O-])c1ccc(C)cn1	ZINC000753535106	581546498	/nfs/dbraw/zinc/54/64/98/581546498.db2.gz	WMBLRCHIKBFWBZ-LLVKDONJSA-N	-1	0	275.308	0.865	20	30		CCEDRM
CCN(CC(=O)O[C@@H](C)C(=O)N(C)CCC#N)C(=O)[O-]	ZINC000739401743	581547001	/nfs/dbraw/zinc/54/70/01/581547001.db2.gz	IIMCQDJOJBZGKL-VIFPVBQESA-N	-1	0	285.300	0.290	20	30		CCEDRM
CC(C)[C@H](CNC(=O)c1ccc(C#N)nc1)NC(=O)[O-]	ZINC000738787737	581558622	/nfs/dbraw/zinc/55/86/22/581558622.db2.gz	BQFQHOAAPQHDDM-NSHDSACASA-N	-1	0	276.296	0.975	20	30		CCEDRM
CNC(=O)C(C#N)=C([O-])c1cccc(-n2cncn2)c1	ZINC000734706768	581582412	/nfs/dbraw/zinc/58/24/12/581582412.db2.gz	VMZCVGXBMWIWOS-NSHDSACASA-N	-1	0	269.264	0.336	20	30		CCEDRM
CN(CCCNC(=O)NCCCCC#N)C(=O)[O-]	ZINC000739673956	581590496	/nfs/dbraw/zinc/59/04/96/581590496.db2.gz	WNYXCGLUACDENY-UHFFFAOYSA-N	-1	0	256.306	0.979	20	30		CCEDRM
CN(CCCNC(=O)[O-])S(=O)(=O)c1ccccc1C#N	ZINC000739678987	581591813	/nfs/dbraw/zinc/59/18/13/581591813.db2.gz	MWWOGKLWMWYHSY-UHFFFAOYSA-N	-1	0	297.336	0.836	20	30		CCEDRM
CN1CCN(N=C2CCC[C@H]2CNC(=O)[O-])CC1	ZINC000739735874	581606571	/nfs/dbraw/zinc/60/65/71/581606571.db2.gz	GAFDOBCMNZACID-JTQLQIEISA-N	-1	0	254.334	0.658	20	30		CCEDRM
C=CCOCC(=O)[N-]S(=O)(=O)c1c(C)nn(C)c1C	ZINC000729885927	581618507	/nfs/dbraw/zinc/61/85/07/581618507.db2.gz	SCCUIHDNPOFTTK-UHFFFAOYSA-N	-1	0	287.341	0.044	20	30		CCEDRM
CC#CCCCC(=O)[N-]S(=O)(=O)CCCC(=O)OC	ZINC000767987958	581640094	/nfs/dbraw/zinc/64/00/94/581640094.db2.gz	AQFQRRYJKVTUSQ-UHFFFAOYSA-N	-1	0	289.353	0.579	20	30		CCEDRM
C=C(C)C[C@@H](C)C(=O)[N-]S(=O)(=O)CCOCCOC	ZINC000768001745	581640410	/nfs/dbraw/zinc/64/04/10/581640410.db2.gz	TZYMPSQLPQZOOS-LLVKDONJSA-N	-1	0	293.385	0.698	20	30		CCEDRM
C#Cc1ccc(C(=O)N[C@H](CCC)c2nnn[n-]2)nc1	ZINC000735390225	581642186	/nfs/dbraw/zinc/64/21/86/581642186.db2.gz	TXNDKXNTGXDYOS-SNVBAGLBSA-N	-1	0	270.296	0.847	20	30		CCEDRM
C#CCCNC(=O)c1cc(S(=O)(=O)N(C)C)ccc1[O-]	ZINC000768142798	581645988	/nfs/dbraw/zinc/64/59/88/581645988.db2.gz	HQSXFJVOMIBPDI-UHFFFAOYSA-N	-1	0	296.348	0.396	20	30		CCEDRM
COCCCCn1cc(C(=O)[O-])cc(C#N)c1=O	ZINC000737759237	581655893	/nfs/dbraw/zinc/65/58/93/581655893.db2.gz	FNKGXYJWNAVACX-UHFFFAOYSA-N	-1	0	250.254	0.845	20	30		CCEDRM
N#C[C@H]1CN(C(=O)NC[C@@H]2CCCN(C(=O)[O-])C2)CCO1	ZINC000740306471	581663008	/nfs/dbraw/zinc/66/30/08/581663008.db2.gz	HCOLQBMJBJAJQP-QWRGUYRKSA-N	-1	0	296.327	0.310	20	30		CCEDRM
N#C[C@@H]1CN(C(=O)CSCC(=O)[O-])CCN1C1CC1	ZINC000740307183	581663382	/nfs/dbraw/zinc/66/33/82/581663382.db2.gz	PYYFEMGMMHHSBQ-SNVBAGLBSA-N	-1	0	283.353	0.003	20	30		CCEDRM
N#CCCN(CCC#N)C(=O)[C@H]1CCN(C(=O)[O-])C1	ZINC000740309198	581663508	/nfs/dbraw/zinc/66/35/08/581663508.db2.gz	XKZCKXYFPJAUNV-JTQLQIEISA-N	-1	0	264.285	0.642	20	30		CCEDRM
N#C[C@@H]1CN(C(=O)[C@H]2CCC[C@@H]2NC(=O)[O-])CCO1	ZINC000740309108	581663530	/nfs/dbraw/zinc/66/35/30/581663530.db2.gz	DJQAJVXZCSNDEM-UTLUCORTSA-N	-1	0	267.285	0.174	20	30		CCEDRM
N#C[C@@H]1CN(C(=O)[C@@H]2CCN(C(=O)[O-])C2)CCN1C1CC1	ZINC000740309715	581663969	/nfs/dbraw/zinc/66/39/69/581663969.db2.gz	MIHHHAOKULWBOL-ZYHUDNBSSA-N	-1	0	292.339	0.185	20	30		CCEDRM
N#Cc1ccc(NC(=O)C(=O)NCC(=O)[O-])cc1Cl	ZINC000740317088	581665110	/nfs/dbraw/zinc/66/51/10/581665110.db2.gz	POYIBJTYAXBVQA-UHFFFAOYSA-N	-1	0	281.655	0.351	20	30		CCEDRM
N#Cc1ccc(S(=O)(=O)NC2CN(C(=O)[O-])C2)cc1	ZINC000740321409	581665175	/nfs/dbraw/zinc/66/51/75/581665175.db2.gz	LMVRMWKFWZGZOG-UHFFFAOYSA-N	-1	0	281.293	0.199	20	30		CCEDRM
N#Cc1ccsc1NC(=O)CN1CC[C@@H](NC(=O)[O-])C1	ZINC000740322498	581665264	/nfs/dbraw/zinc/66/52/64/581665264.db2.gz	VIINJUJYPOVUIX-SECBINFHSA-N	-1	0	294.336	0.900	20	30		CCEDRM
N#Cc1ccc(OCC(=O)NCCCNC(=O)[O-])cc1	ZINC000740318869	581665283	/nfs/dbraw/zinc/66/52/83/581665283.db2.gz	GFBGOQYXLGUCSV-UHFFFAOYSA-N	-1	0	277.280	0.711	20	30		CCEDRM
C#CCN1CCC[C@H]1C(=O)NCc1ccc(C(=O)[O-])o1	ZINC000736079739	581687381	/nfs/dbraw/zinc/68/73/81/581687381.db2.gz	MYSWOFNDFPJWGK-NSHDSACASA-N	-1	0	276.292	0.692	20	30		CCEDRM
C=CCOCC(=O)O[C@@H](C)C(=O)N1CCC(C(=O)[O-])CC1	ZINC000736109526	581696761	/nfs/dbraw/zinc/69/67/61/581696761.db2.gz	NDNBWFGLCRKVFK-JTQLQIEISA-N	-1	0	299.323	0.444	20	30		CCEDRM
O=C([O-])Cn1cc(C=NN2CCc3ccccc3C2=O)nn1	ZINC000769597420	581697959	/nfs/dbraw/zinc/69/79/59/581697959.db2.gz	HMRTXUXIEAQRCE-UHFFFAOYSA-N	-1	0	299.290	0.395	20	30		CCEDRM
C#Cc1ccc(C(=O)Nc2ccn(CC(=O)[O-])n2)nc1	ZINC000736093596	581700969	/nfs/dbraw/zinc/70/09/69/581700969.db2.gz	WWXNOQDSACOCCQ-UHFFFAOYSA-N	-1	0	270.248	0.596	20	30		CCEDRM
C=C(Cn1cc(C(=O)[O-])cc(C#N)c1=O)C(=O)OCC	ZINC000736094677	581701619	/nfs/dbraw/zinc/70/16/19/581701619.db2.gz	QQEFJFFGIGCCCG-UHFFFAOYSA-N	-1	0	276.248	0.537	20	30		CCEDRM
CC[C@]1(C)NC(=O)N([N-]C(=O)c2ccc(C#N)nc2)C1=O	ZINC000769856689	581711645	/nfs/dbraw/zinc/71/16/45/581711645.db2.gz	WTPSLVSQXIWUKI-ZDUSSCGKSA-N	-1	0	287.279	0.319	20	30		CCEDRM
C[C@@H](C#N)C(=O)Nc1ccc(C(=O)NCC(=O)[O-])cc1	ZINC000736201550	581714412	/nfs/dbraw/zinc/71/44/12/581714412.db2.gz	HYRGCZMJFOJWEY-QMMMGPOBSA-N	-1	0	275.264	0.599	20	30		CCEDRM
CC(C)[C@@](C)(C#N)NC(=O)COC(=O)CCNC(=O)[O-]	ZINC000736349992	581748470	/nfs/dbraw/zinc/74/84/70/581748470.db2.gz	SQFVMWSZARAWDM-GFCCVEGCSA-N	-1	0	285.300	0.242	20	30		CCEDRM
CC(C)[C@@H](NC(=O)[O-])C(=O)NC1CCN(CC#N)CC1	ZINC000736366596	581753339	/nfs/dbraw/zinc/75/33/39/581753339.db2.gz	VNQCHXOHQYWDDM-LLVKDONJSA-N	-1	0	282.344	0.383	20	30		CCEDRM
CC(C)C[C@@H](NC(=O)[O-])C(=O)N1CCO[C@H](C#N)C1	ZINC000736418620	581763754	/nfs/dbraw/zinc/76/37/54/581763754.db2.gz	BWGZKSWIYMSUGI-NXEZZACHSA-N	-1	0	269.301	0.420	20	30		CCEDRM
CCNC(=O)CCCC(=O)C(C#N)=C([O-])c1nccn1C	ZINC000770730097	581764801	/nfs/dbraw/zinc/76/48/01/581764801.db2.gz	KYNFSPSLRQJJFQ-SNVBAGLBSA-N	-1	0	290.323	0.618	20	30		CCEDRM
COCc1nc(Cn2ccc(C=NO)nc2=O)cs1	ZINC000742359487	581779696	/nfs/dbraw/zinc/77/96/96/581779696.db2.gz	ZPRYWJGZLCXSEH-UHFFFAOYSA-N	-1	0	280.309	0.703	20	30		CCEDRM
C[C@H]1C[C@@H]1C(=O)[N-]S(=O)(=O)CC1(C#N)CCC1	ZINC000771071835	581789288	/nfs/dbraw/zinc/78/92/88/581789288.db2.gz	PARKHMXGEHCLRJ-IUCAKERBSA-N	-1	0	256.327	0.782	20	30		CCEDRM
Cn1nccc1C(=O)[N-]S(=O)(=O)CC1(C#N)CCC1	ZINC000771077450	581789630	/nfs/dbraw/zinc/78/96/30/581789630.db2.gz	FGAKRLVBKKGITH-UHFFFAOYSA-N	-1	0	282.325	0.174	20	30		CCEDRM
CCOCCC(=O)[N-]S(=O)(=O)CC1(C#N)CCC1	ZINC000771079969	581790361	/nfs/dbraw/zinc/79/03/61/581790361.db2.gz	KZOUCPJTVDEYNU-UHFFFAOYSA-N	-1	0	274.342	0.553	20	30		CCEDRM
CCc1ocnc1C(=O)[N-]S(=O)(=O)CC1(C#N)CCC1	ZINC000771079379	581790490	/nfs/dbraw/zinc/79/04/90/581790490.db2.gz	UKTRXLOSRONUSX-UHFFFAOYSA-N	-1	0	297.336	0.990	20	30		CCEDRM
C[C@@H](CN(C(=O)CSCC#N)C1CC1)C(=O)[O-]	ZINC000736562671	581792026	/nfs/dbraw/zinc/79/20/26/581792026.db2.gz	UMMKTOSSJOSSDB-QMMMGPOBSA-N	-1	0	256.327	0.955	20	30		CCEDRM
C[C@@H](CNC(=O)Cc1ccc(OCC#N)cc1)C(=O)[O-]	ZINC000736595515	581802103	/nfs/dbraw/zinc/80/21/03/581802103.db2.gz	MXFQGZYQRSOLAV-JTQLQIEISA-N	-1	0	276.292	0.968	20	30		CCEDRM
N#Cc1ccc(NCCNS(=O)(=O)c2c[nH]cn2)nc1	ZINC000736626044	581809007	/nfs/dbraw/zinc/80/90/07/581809007.db2.gz	SKIOQWKSKWJMLY-UHFFFAOYSA-N	-1	0	292.324	0.067	20	30		CCEDRM
CCS(=O)(=O)NCC(=O)Nc1cc(C#N)ccc1[O-]	ZINC000759713237	581817277	/nfs/dbraw/zinc/81/72/77/581817277.db2.gz	JQAAGWYEWPWRPP-UHFFFAOYSA-N	-1	0	283.309	0.142	20	30		CCEDRM
COC[C@](C)(O)C(=O)Nc1cc(C#N)ccc1[O-]	ZINC000759720446	581817802	/nfs/dbraw/zinc/81/78/02/581817802.db2.gz	FXESCWQKFUYZPB-LBPRGKRZSA-N	-1	0	250.254	0.600	20	30		CCEDRM
C[C@@H](OC[C@H]1CCCO1)C(=O)N(CC#N)CC(=O)[O-]	ZINC000736697798	581820567	/nfs/dbraw/zinc/82/05/67/581820567.db2.gz	SHWNIKSCDRVPIJ-NXEZZACHSA-N	-1	0	270.285	0.007	20	30		CCEDRM
CCc1ocnc1C(=O)Nc1nc(C#N)c(-c2nn[nH]n2)[n-]1	ZINC000736714303	581823277	/nfs/dbraw/zinc/82/32/77/581823277.db2.gz	UYZJALWUGMTXQD-UHFFFAOYSA-N	-1	0	299.254	0.264	20	30		CCEDRM
CNC(=O)C(C#N)=C([O-])c1cccc(C(=O)NC)c1	ZINC000744034505	581830403	/nfs/dbraw/zinc/83/04/03/581830403.db2.gz	DCCUBJUANWHSDJ-SNVBAGLBSA-N	-1	0	259.265	0.115	20	30		CCEDRM
CCCCCNC(=O)[C@@H](C#N)C(=O)CCNC(=O)[O-]	ZINC000736990387	581880689	/nfs/dbraw/zinc/88/06/89/581880689.db2.gz	IINBNPKTRSIPDU-VIFPVBQESA-N	-1	0	269.301	0.659	20	30		CCEDRM
COCCOCC(C)N=Nc1oc(C)nc1-c1nnn[n-]1	ZINC000737005548	581884054	/nfs/dbraw/zinc/88/40/54/581884054.db2.gz	IDJCVOPCMVVKKA-UHFFFAOYSA-N	-1	0	295.303	0.614	20	30		CCEDRM
C=CCS(=O)(=O)[N-]C(=O)c1cccc(OC)c1OC	ZINC000772710583	581884937	/nfs/dbraw/zinc/88/49/37/581884937.db2.gz	PFJVIKHGOCATFK-UHFFFAOYSA-N	-1	0	285.321	0.949	20	30		CCEDRM
C=CCS(=O)(=O)[N-]C(=O)Cc1ccc2c(c1)CCO2	ZINC000772712336	581885569	/nfs/dbraw/zinc/88/55/69/581885569.db2.gz	CIHPKUAQVDPLLH-UHFFFAOYSA-N	-1	0	281.333	0.796	20	30		CCEDRM
C=CCS(=O)(=O)[N-]C(=O)[C@H]1Cc2ccccc2C(=O)O1	ZINC000772720290	581886131	/nfs/dbraw/zinc/88/61/31/581886131.db2.gz	GQRHUOQKEQAVAI-LLVKDONJSA-N	-1	0	295.316	0.400	20	30		CCEDRM
C=CCS(=O)(=O)[N-]C(=O)[C@@H]1Cc2ccccc21	ZINC000772720341	581886229	/nfs/dbraw/zinc/88/62/29/581886229.db2.gz	JIDQYVTZCSSRFN-LLVKDONJSA-N	-1	0	251.307	0.958	20	30		CCEDRM
C=CCS(=O)(=O)[N-]C(=O)[C@H]1Cc2ccccc21	ZINC000772720342	581886284	/nfs/dbraw/zinc/88/62/84/581886284.db2.gz	JIDQYVTZCSSRFN-NSHDSACASA-N	-1	0	251.307	0.958	20	30		CCEDRM
C=CCS(=O)(=O)[N-]C(=O)c1ccc(OC)c(OC)c1	ZINC000772721228	581886838	/nfs/dbraw/zinc/88/68/38/581886838.db2.gz	HUIILLQKWQHVMF-UHFFFAOYSA-N	-1	0	285.321	0.949	20	30		CCEDRM
CC(C)OCCCNC(=O)C(C#N)=C([O-])c1cncnc1	ZINC000761099711	581887975	/nfs/dbraw/zinc/88/79/75/581887975.db2.gz	KPEDURRBDSXUJA-LBPRGKRZSA-N	-1	0	290.323	0.730	20	30		CCEDRM
CCCc1cc(C(=O)N(CC#N)CC(=O)[O-])[nH]n1	ZINC000737042320	581890835	/nfs/dbraw/zinc/89/08/35/581890835.db2.gz	AKQHUCFNPPXHAN-UHFFFAOYSA-N	-1	0	250.258	0.413	20	30		CCEDRM
C#CCCNC(=O)c1c[nH]c2nc(=O)[n-]c(=O)c-2c1	ZINC000733287881	581897848	/nfs/dbraw/zinc/89/78/48/581897848.db2.gz	VQPSSMYEUWOPJE-UHFFFAOYSA-N	-1	0	258.237	0.189	20	30		CCEDRM
CNC(=O)C(C#N)=C([O-])c1cccc(-n2cccn2)n1	ZINC000737323685	581945103	/nfs/dbraw/zinc/94/51/03/581945103.db2.gz	WWXBZINRNBMTFH-SECBINFHSA-N	-1	0	269.264	0.336	20	30		CCEDRM
Cn1nccc1CCC(=O)[N-]S(=O)(=O)CC(C)(C)C#N	ZINC000774287925	581945447	/nfs/dbraw/zinc/94/54/47/581945447.db2.gz	JIAFKEZCLHRZNP-UHFFFAOYSA-N	-1	0	298.368	0.348	20	30		CCEDRM
CNC(=O)C(C#N)=C([O-])c1ccc(OC(C)C)cn1	ZINC000774056502	581955630	/nfs/dbraw/zinc/95/56/30/581955630.db2.gz	SRVUNVSIGZSDQD-SNVBAGLBSA-N	-1	0	261.281	0.937	20	30		CCEDRM
CN(CCCC(=O)N1CCN(C2CC2)[C@H](C#N)C1)C(=O)[O-]	ZINC000737419378	581955765	/nfs/dbraw/zinc/95/57/65/581955765.db2.gz	XSQNJMPFNDECTO-GFCCVEGCSA-N	-1	0	294.355	0.575	20	30		CCEDRM
C=CCN(CC(=O)[O-])C(=O)c1ccc(N2CCCC2)nn1	ZINC000737527286	581973180	/nfs/dbraw/zinc/97/31/80/581973180.db2.gz	KQDYRPQQUTWFON-UHFFFAOYSA-N	-1	0	290.323	0.790	20	30		CCEDRM
CNC(=O)[C@H](C#N)C(=O)CCc1ccc(C(=O)[O-])cc1	ZINC000737535069	581975183	/nfs/dbraw/zinc/97/51/83/581975183.db2.gz	JZXADFGRGNEYJZ-LLVKDONJSA-N	-1	0	274.276	0.772	20	30		CCEDRM
C=CCS(=O)(=O)[N-]C(=O)c1cc(OC)ccc1OC	ZINC000763034744	581979424	/nfs/dbraw/zinc/97/94/24/581979424.db2.gz	VYGWMYDUPBRNRW-UHFFFAOYSA-N	-1	0	285.321	0.949	20	30		CCEDRM
COC(=O)CN(CC(=O)[O-])C(=O)Cc1ccc(C#N)cc1	ZINC000737604380	581989628	/nfs/dbraw/zinc/98/96/28/581989628.db2.gz	DMMLSZMMTFAQJX-UHFFFAOYSA-N	-1	0	290.275	0.187	20	30		CCEDRM
N#Cc1ncn(-c2c3ccccc3nnc2-c2nnn[n-]2)n1	ZINC000737729734	581997103	/nfs/dbraw/zinc/99/71/03/581997103.db2.gz	CJEJOFSEHORNPQ-UHFFFAOYSA-N	-1	0	290.250	0.262	20	30		CCEDRM
CCOCCO[N-]C(=O)[C@H](O)c1ccc(C#N)cc1	ZINC000775231972	582015102	/nfs/dbraw/zinc/01/51/02/582015102.db2.gz	DKBYIZQCUARZAS-GFCCVEGCSA-N	-1	0	264.281	0.676	20	30		CCEDRM
COc1ccc(OCCC(=O)N(CC#N)CC(=O)[O-])cc1	ZINC000738047125	582018274	/nfs/dbraw/zinc/01/82/74/582018274.db2.gz	BNZUIWVJIAXVKE-UHFFFAOYSA-N	-1	0	292.291	0.901	20	30		CCEDRM
C#C[C@@H](C)NC(=O)Cc1c(C)nc(-c2ncccn2)[n-]c1=O	ZINC000775382492	582021971	/nfs/dbraw/zinc/02/19/71/582021971.db2.gz	UYHPFVBBGPWOOJ-SECBINFHSA-N	-1	0	297.318	0.628	20	30		CCEDRM
C=CCNC(=O)C(C#N)=C([O-])c1cc2n(n1)CCCO2	ZINC000763933892	582021931	/nfs/dbraw/zinc/02/19/31/582021931.db2.gz	XHWWJCNZPJVYCO-VIFPVBQESA-N	-1	0	274.280	0.290	20	30		CCEDRM
CC[C@@]1(C)NC(=O)N(N=Cc2ccc(C(=O)[O-])[nH]2)C1=O	ZINC000749813286	582023452	/nfs/dbraw/zinc/02/34/52/582023452.db2.gz	XYLBDQANBITHCV-GFCCVEGCSA-N	-1	0	278.268	0.767	20	30		CCEDRM
C[C@@H](Oc1cccc(C=NN[C@@H](C)CO)c1)C(=O)[O-]	ZINC000749815068	582023483	/nfs/dbraw/zinc/02/34/83/582023483.db2.gz	FHKDCOBMGYQCDZ-VHSXEESVSA-N	-1	0	266.297	0.843	20	30		CCEDRM
Cc1[nH]c(C(=O)N2CCOC[C@H]2C#N)c(C)c1C(=O)[O-]	ZINC000738158326	582025977	/nfs/dbraw/zinc/02/59/77/582025977.db2.gz	FRVOJXJOWRIJSQ-SECBINFHSA-N	-1	0	277.280	0.694	20	30		CCEDRM
N#CC1(C(=O)N2CCCN(C(=O)[O-])CC2)CCOCC1	ZINC000738422957	582047873	/nfs/dbraw/zinc/04/78/73/582047873.db2.gz	OCMXVBKDALNAQH-UHFFFAOYSA-N	-1	0	281.312	0.519	20	30		CCEDRM
N#CCCCS(=O)(=O)[N-]C(=O)[C@H]1CCSC1	ZINC000776115180	582051785	/nfs/dbraw/zinc/05/17/85/582051785.db2.gz	IUOAELQCDCPYIS-QMMMGPOBSA-N	-1	0	262.356	0.489	20	30		CCEDRM
COC[C@@H](C)CC(=O)[N-]S(=O)(=O)CCCC#N	ZINC000776123098	582052765	/nfs/dbraw/zinc/05/27/65/582052765.db2.gz	LFWVNJFTHJFZRV-VIFPVBQESA-N	-1	0	262.331	0.409	20	30		CCEDRM
CCc1ocnc1C(=O)[N-]S(=O)(=O)CCCC#N	ZINC000776122330	582052908	/nfs/dbraw/zinc/05/29/08/582052908.db2.gz	PQODBEGLEMPHBS-UHFFFAOYSA-N	-1	0	271.298	0.600	20	30		CCEDRM
C#CCNC(=O)[C@H](C)OC(=O)CC(C)(C)NC(=O)[O-]	ZINC000738460298	582053290	/nfs/dbraw/zinc/05/32/90/582053290.db2.gz	JBQHGFBGIDWBSX-QMMMGPOBSA-N	-1	0	270.285	0.104	20	30		CCEDRM
CC(C)(C#N)CS(=O)(=O)[N-]C(=O)[C@H]1CCCOC1	ZINC000776137737	582053516	/nfs/dbraw/zinc/05/35/16/582053516.db2.gz	SXLPJXUEFHVYBU-VIFPVBQESA-N	-1	0	274.342	0.409	20	30		CCEDRM
CC(C)(C#N)CS(=O)(=O)[N-]C(=O)CCn1cccn1	ZINC000776143500	582053990	/nfs/dbraw/zinc/05/39/90/582053990.db2.gz	YFUCVHITMUPOJA-UHFFFAOYSA-N	-1	0	284.341	0.269	20	30		CCEDRM
CCc1ocnc1C(=O)[N-]S(=O)(=O)CC(C)(C)C#N	ZINC000776143091	582053999	/nfs/dbraw/zinc/05/39/99/582053999.db2.gz	MMZQRKLGFMUHTB-UHFFFAOYSA-N	-1	0	285.325	0.846	20	30		CCEDRM
CCO[C@H]1C[C@@H]1C(=O)[N-]S(=O)(=O)CC(C)(C)C#N	ZINC000776143227	582054065	/nfs/dbraw/zinc/05/40/65/582054065.db2.gz	UULMGORQJMAJBQ-IUCAKERBSA-N	-1	0	274.342	0.407	20	30		CCEDRM
C#Cc1ccc(C(=O)N2CC[C@H](CNC(=O)[O-])C2)cn1	ZINC000738468860	582054394	/nfs/dbraw/zinc/05/43/94/582054394.db2.gz	BGWBJUUKGAGKOD-SNVBAGLBSA-N	-1	0	273.292	0.793	20	30		CCEDRM
C#CCSCCNC(=O)[C@@H]1CCN(C(=O)[O-])C1	ZINC000738470305	582054528	/nfs/dbraw/zinc/05/45/28/582054528.db2.gz	NVNUIYUVCLNCHO-SECBINFHSA-N	-1	0	256.327	0.469	20	30		CCEDRM
CCc1cc(C(=O)[N-]S(=O)(=O)CC(C)(C)C#N)[nH]n1	ZINC000776143699	582054623	/nfs/dbraw/zinc/05/46/23/582054623.db2.gz	RTSKGOJVWOVYFU-UHFFFAOYSA-N	-1	0	284.341	0.581	20	30		CCEDRM
C=CCNC(=O)[C@@H](C#N)C(=O)CC(C)(C)NC(=O)[O-]	ZINC000738491459	582055971	/nfs/dbraw/zinc/05/59/71/582055971.db2.gz	IJNZICWRYAZIBU-QMMMGPOBSA-N	-1	0	267.285	0.434	20	30		CCEDRM
Cc1ccc(-n2cc(C(=O)N(CC#N)CC(=O)[O-])nn2)cc1	ZINC000738497889	582056538	/nfs/dbraw/zinc/05/65/38/582056538.db2.gz	BWICIBXESAJYSI-UHFFFAOYSA-N	-1	0	299.290	0.626	20	30		CCEDRM
Cc1c(C(=O)[O-])oc2c1C(=NNS(C)(=O)=O)CCC2	ZINC000764709393	582063820	/nfs/dbraw/zinc/06/38/20/582063820.db2.gz	XINJOENFPTUBBL-UHFFFAOYSA-N	-1	0	286.309	0.876	20	30		CCEDRM
C[C@@H](C#N)CNC(=O)CN(C[C@@H]1CCCO1)C(=O)[O-]	ZINC000738602741	582064844	/nfs/dbraw/zinc/06/48/44/582064844.db2.gz	NMBASUFWFPFGSO-UWVGGRQHSA-N	-1	0	269.301	0.421	20	30		CCEDRM
Cc1ccc([N+](=O)[O-])cc1C(=O)N(CC#N)CC(=O)[O-]	ZINC000738663916	582069437	/nfs/dbraw/zinc/06/94/37/582069437.db2.gz	DQRWNSKVVHQGGY-UHFFFAOYSA-N	-1	0	277.236	0.954	20	30		CCEDRM
CC(C)[C@H](C#N)NC(=O)CN(C[C@@H]1CCCO1)C(=O)[O-]	ZINC000738761889	582074269	/nfs/dbraw/zinc/07/42/69/582074269.db2.gz	NUMSKNJDMWPFET-QWRGUYRKSA-N	-1	0	283.328	0.810	20	30		CCEDRM
CC(C)[C@H](CNC(=O)c1ccc(C#N)cn1)NC(=O)[O-]	ZINC000738787778	582076762	/nfs/dbraw/zinc/07/67/62/582076762.db2.gz	CCSGJSDFRICZNS-NSHDSACASA-N	-1	0	276.296	0.975	20	30		CCEDRM
C=CCCS(=O)(=O)N[C@@H](C(=O)[O-])[C@H](O)c1ccccc1	ZINC000776601998	582084313	/nfs/dbraw/zinc/08/43/13/582084313.db2.gz	MSHRTYHDDAKZJU-VXGBXAGGSA-N	-1	0	299.348	0.669	20	30		CCEDRM
C[C@@H](CNC(=O)[O-])N(C)C(=O)c1ccc(C#N)nc1	ZINC000738934168	582091142	/nfs/dbraw/zinc/09/11/42/582091142.db2.gz	NNACIYRMISHOQH-QMMMGPOBSA-N	-1	0	262.269	0.681	20	30		CCEDRM
N#CCN(CC(=O)[O-])C(=O)c1cnc2ccccc2n1	ZINC000739085508	582101929	/nfs/dbraw/zinc/10/19/29/582101929.db2.gz	AXWCVLBUNGAXNC-UHFFFAOYSA-N	-1	0	270.248	0.680	20	30		CCEDRM
C[C@@H]1CCC[C@@](C#N)(NC(=O)COCCNC(=O)[O-])C1	ZINC000739091568	582102116	/nfs/dbraw/zinc/10/21/16/582102116.db2.gz	LFXRJHZTFZMKKQ-ZWNOBZJWSA-N	-1	0	283.328	0.859	20	30		CCEDRM
C[C@H]1CCC[C@@](C#N)(NC(=O)COCCNC(=O)[O-])C1	ZINC000739091565	582102158	/nfs/dbraw/zinc/10/21/58/582102158.db2.gz	LFXRJHZTFZMKKQ-GXFFZTMASA-N	-1	0	283.328	0.859	20	30		CCEDRM
CCCCCNC(=S)NN=Cc1cn(CC(=O)[O-])nn1	ZINC000768483989	582107339	/nfs/dbraw/zinc/10/73/39/582107339.db2.gz	WFCZNYBMPSBTAY-UHFFFAOYSA-N	-1	0	298.372	0.351	20	30		CCEDRM
C#CCCCS(=O)(=O)[N-]c1c(C#N)cnn1CC	ZINC000840946805	612985390	/nfs/dbraw/zinc/98/53/90/612985390.db2.gz	OOAMXJDIHLBNOT-UHFFFAOYSA-N	-1	0	266.326	0.930	20	30		CCEDRM
N#Cc1c(F)cccc1S(=O)(=O)NCC(=O)[O-]	ZINC000070393923	597372065	/nfs/dbraw/zinc/37/20/65/597372065.db2.gz	ZVUXYLVWSVHOLI-UHFFFAOYSA-N	-1	0	258.230	0.060	20	30		CCEDRM
C=CCNC(=O)c1ccc(NC(=O)NCC(=O)[O-])cc1	ZINC000585984982	597491283	/nfs/dbraw/zinc/49/12/83/597491283.db2.gz	ACWVMKVBZVTMFU-UHFFFAOYSA-N	-1	0	277.280	0.809	20	30		CCEDRM
C[C@@H](C#N)Oc1ccccc1NC(=O)C(=O)NCC(=O)[O-]	ZINC000819875179	597611131	/nfs/dbraw/zinc/61/11/31/597611131.db2.gz	VFQIEVYFNQRUOE-QMMMGPOBSA-N	-1	0	291.263	0.117	20	30		CCEDRM
C[C@@](C#N)(CC(=O)[O-])C(=O)OCCn1ccccc1=O	ZINC000819874847	597619582	/nfs/dbraw/zinc/61/95/82/597619582.db2.gz	RHSWAHKVRGOEDS-ZDUSSCGKSA-N	-1	0	278.264	0.396	20	30		CCEDRM
Cn1c(COC(=O)[C@](C)(C#N)CC(=O)[O-])nnc1C1CC1	ZINC000821277345	597619176	/nfs/dbraw/zinc/61/91/76/597619176.db2.gz	DDSKQDOZXHQJDO-ZDUSSCGKSA-N	-1	0	292.295	0.740	20	30		CCEDRM
C[C@H]1CCCN(C(=O)COC(=O)[C@](C)(C#N)CC(=O)[O-])C1	ZINC000820238495	597622318	/nfs/dbraw/zinc/62/23/18/597622318.db2.gz	QRCIFYUMRMTGFY-HZMBPMFUSA-N	-1	0	296.323	0.793	20	30		CCEDRM
C[C@@](C#N)(CC(=O)[O-])C(=O)Nc1n[nH]c(C(F)(F)F)n1	ZINC000819866431	597632163	/nfs/dbraw/zinc/63/21/63/597632163.db2.gz	WTLGQHJTXOXJDC-QMMMGPOBSA-N	-1	0	291.189	0.767	20	30		CCEDRM
C[C@@](C#N)(CC(=O)[O-])C(=O)N1CCN(CC(F)F)CC1	ZINC000819820884	597639070	/nfs/dbraw/zinc/63/90/70/597639070.db2.gz	APCIKKHSPHLPEN-LBPRGKRZSA-N	-1	0	289.282	0.400	20	30		CCEDRM
C[C@@](C#N)(CC(=O)[O-])C(=O)N1CCN(C2CC2)CC1	ZINC000819823655	597639079	/nfs/dbraw/zinc/63/90/79/597639079.db2.gz	VKAJDCFSATUCAI-ZDUSSCGKSA-N	-1	0	265.313	0.298	20	30		CCEDRM
C[C@@](C#N)(CC(=O)[O-])C(=O)N1CC(n2cccn2)C1	ZINC000819811427	597642553	/nfs/dbraw/zinc/64/25/53/597642553.db2.gz	OJSMDRLLWDJVPG-LBPRGKRZSA-N	-1	0	262.269	0.271	20	30		CCEDRM
C[C@@](C#N)(CC(=O)[O-])C(=O)N[C@@H]1C=C[C@H](CO)C1	ZINC000819849100	597651487	/nfs/dbraw/zinc/65/14/87/597651487.db2.gz	WYGNMHIYQQHFFM-SBMIAAHKSA-N	-1	0	252.270	0.044	20	30		CCEDRM
C[C@](C#N)(CC(=O)[O-])C(=O)N[C@H]1CCc2c[nH]nc2C1	ZINC000819835766	597655149	/nfs/dbraw/zinc/65/51/49/597655149.db2.gz	XQWLLACEMHFDKA-TVQRCGJNSA-N	-1	0	276.296	0.388	20	30		CCEDRM
CN(C[C@H](O)C(F)(F)F)C(=O)[C@@](C)(C#N)CC(=O)[O-]	ZINC000820574303	597671029	/nfs/dbraw/zinc/67/10/29/597671029.db2.gz	OLONKYDEJLPJGN-IMTBSYHQSA-N	-1	0	282.218	0.373	20	30		CCEDRM
Cn1c(CNC(=O)[C@@](C)(C#N)CC(=O)[O-])nnc1C1CC1	ZINC000821269288	597671800	/nfs/dbraw/zinc/67/18/00/597671800.db2.gz	SOMNDPQMMOCMNY-CYBMUJFWSA-N	-1	0	291.311	0.313	20	30		CCEDRM
C[C@](C#N)(CC(=O)[O-])C(=O)N1CCOCC2(CC2)C1	ZINC000819823393	597722843	/nfs/dbraw/zinc/72/28/43/597722843.db2.gz	UHRYBKSBCRKKCY-GFCCVEGCSA-N	-1	0	266.297	0.630	20	30		CCEDRM
O=C([O-])CCNN=Cc1ccc2c(c1)OCCO2	ZINC000821524628	597739802	/nfs/dbraw/zinc/73/98/02/597739802.db2.gz	MMVLLHJPYMFPOS-UHFFFAOYSA-N	-1	0	250.254	0.856	20	30		CCEDRM
O=C([O-])CCNN=C(CO)c1ccc(F)cc1F	ZINC000821525460	597740920	/nfs/dbraw/zinc/74/09/20/597740920.db2.gz	VYSIAVNKFIHSOL-UHFFFAOYSA-N	-1	0	258.224	0.726	20	30		CCEDRM
Cc1cc(C)n2c(C=NNCCC(=O)[O-])cnc2n1	ZINC000820972242	597742555	/nfs/dbraw/zinc/74/25/55/597742555.db2.gz	FFRLHICNGIEXNX-UHFFFAOYSA-N	-1	0	261.285	0.744	20	30		CCEDRM
Cc1cc(CNC(=O)[C@](C)(C#N)CC(=O)[O-])no1	ZINC000820976794	598225356	/nfs/dbraw/zinc/22/53/56/598225356.db2.gz	RNWYNTOBUKDTBW-NSHDSACASA-N	-1	0	251.242	0.604	20	30		CCEDRM
C[C@@](C#N)(CC(=O)[O-])C(=O)NCCc1nccs1	ZINC000819841799	598225775	/nfs/dbraw/zinc/22/57/75/598225775.db2.gz	DISFMEFLNVVEBV-NSHDSACASA-N	-1	0	267.310	0.806	20	30		CCEDRM
C[C@@](C#N)(CC(=O)[O-])C(=O)NCCCNC(=O)C1CCC1	ZINC000819835489	598229416	/nfs/dbraw/zinc/22/94/16/598229416.db2.gz	VJXXPUIYTBXHIM-AWEZNQCLSA-N	-1	0	295.339	0.414	20	30		CCEDRM
C[C@@H](C#N)CNS(=O)(=O)c1ccc(C(=O)[O-])o1	ZINC000054156481	600989372	/nfs/dbraw/zinc/98/93/72/600989372.db2.gz	LJPSUGIQJMQKPO-LURJTMIESA-N	-1	0	258.255	0.416	20	30		CCEDRM
C#CCO[N-]C(=O)[C@@H](C)NC(=O)CCc1ccccc1	ZINC000812782667	612992495	/nfs/dbraw/zinc/99/24/95/612992495.db2.gz	CMCSOINZYNWQLJ-GFCCVEGCSA-N	-1	0	274.320	0.805	20	30		CCEDRM
C#CCO[C@@H](C)C(=O)Nc1nc(CC(=O)[O-])cs1	ZINC000908582042	612997729	/nfs/dbraw/zinc/99/77/29/612997729.db2.gz	ONSVMBUAACFIGB-ZETCQYMHSA-N	-1	0	268.294	0.747	20	30		CCEDRM
C#CCO[C@H](C)C(=O)[N-]S(=O)(=O)c1ccccc1F	ZINC000835037439	613002112	/nfs/dbraw/zinc/00/21/12/613002112.db2.gz	OIJARUAFAGCGNN-SECBINFHSA-N	-1	0	285.296	0.669	20	30		CCEDRM
C#CC(C)(C)NC(=O)C[C@@H]1CSCCN1C(=O)[O-]	ZINC000823441164	612945843	/nfs/dbraw/zinc/94/58/43/612945843.db2.gz	WJKYBQNVNFBKEY-SECBINFHSA-N	-1	0	270.354	1.000	20	30		CCEDRM
C#CC(C)(C)[N-]S(=O)(=O)c1cc(C(=O)OC)no1	ZINC000881889283	612946167	/nfs/dbraw/zinc/94/61/67/612946167.db2.gz	XDWPNLWYZITRFU-UHFFFAOYSA-N	-1	0	272.282	0.151	20	30		CCEDRM
N#Cc1ccccc1OCC(=O)N1CCO[C@H](C(=O)[O-])C1	ZINC000049864822	599947916	/nfs/dbraw/zinc/94/79/16/599947916.db2.gz	OSFCWQFRTJOJGF-LBPRGKRZSA-N	-1	0	290.275	0.249	20	30		CCEDRM
N#CCSCC(=O)N1CCSC[C@@H]1CC(=O)[O-]	ZINC000091129647	600670189	/nfs/dbraw/zinc/67/01/89/600670189.db2.gz	VNFJJJNYXQKVQG-QMMMGPOBSA-N	-1	0	274.367	0.662	20	30		CCEDRM
C=CC[C@H](C)NS(=O)(=O)c1cc(C(=O)[O-])n(C)c1	ZINC000162559323	600783364	/nfs/dbraw/zinc/78/33/64/600783364.db2.gz	TWFPKVGNFFREEI-QMMMGPOBSA-N	-1	0	272.326	0.966	20	30		CCEDRM
C#CCSCC(=O)NCc1cc(=O)[nH]c(=S)[nH]1	ZINC000898241952	613012873	/nfs/dbraw/zinc/01/28/73/613012873.db2.gz	WNHXJOXUDZKAHQ-UHFFFAOYSA-N	-1	0	269.351	0.454	20	30		CCEDRM
N#Cc1ccc(OCCNC(=O)[C@H]2C[C@@H]2C(=O)[O-])cc1	ZINC000739128389	601032005	/nfs/dbraw/zinc/03/20/05/601032005.db2.gz	BPENZWRKFZNTTE-RYUDHWBXSA-N	-1	0	274.276	0.774	20	30		CCEDRM
N#CCN(CC[S@@](=O)c1ccccc1)CC(=O)[O-]	ZINC000833067257	601226240	/nfs/dbraw/zinc/22/62/40/601226240.db2.gz	SVYRIEMWEVEIHF-GOSISDBHSA-N	-1	0	266.322	0.704	20	30		CCEDRM
N#CCN(CC(=O)[O-])C[C@H]1COc2ccccc2O1	ZINC000833066709	601242450	/nfs/dbraw/zinc/24/24/50/601242450.db2.gz	HIYJWHVKHRVFCI-JTQLQIEISA-N	-1	0	262.265	0.737	20	30		CCEDRM
Cn1cc(C#N)cc1C(=O)Nc1cc(C(=O)[O-])c[nH]c1=O	ZINC000833040427	601254930	/nfs/dbraw/zinc/25/49/30/601254930.db2.gz	GNVOZARBSKOROP-UHFFFAOYSA-N	-1	0	286.247	0.948	20	30		CCEDRM
C[C@H](C(=O)N1CCC(C(=O)[O-])CC1)N(C)CCC#N	ZINC000825978180	601323062	/nfs/dbraw/zinc/32/30/62/601323062.db2.gz	ZJCSSMBCKXIBAK-SNVBAGLBSA-N	-1	0	267.329	0.544	20	30		CCEDRM
N#CCCCS(=O)(=O)N1CC[C@@](F)(C(=O)[O-])C1	ZINC000833065823	601391857	/nfs/dbraw/zinc/39/18/57/601391857.db2.gz	MUFOQIQOPJHEBK-VIFPVBQESA-N	-1	0	264.278	0.119	20	30		CCEDRM
N#C[C@@H]1COCCN1C(=O)c1cccc(OCC(=O)[O-])c1	ZINC000833063583	601439976	/nfs/dbraw/zinc/43/99/76/601439976.db2.gz	ZWTPYXBSECKLBD-LLVKDONJSA-N	-1	0	290.275	0.515	20	30		CCEDRM
N#Cc1cc(F)c(C(=O)N2CCOC[C@@H]2C(=O)[O-])c(F)c1	ZINC000833068824	601683124	/nfs/dbraw/zinc/68/31/24/601683124.db2.gz	MIIMUOMAJGRPST-SNVBAGLBSA-N	-1	0	296.229	0.762	20	30		CCEDRM
C[C@H](CS(=O)(=O)N[C@@H]1CCC[C@@H]1C#N)C(=O)[O-]	ZINC000827553894	601798661	/nfs/dbraw/zinc/79/86/61/601798661.db2.gz	RHIMUGCKIWRXPD-IWSPIJDZSA-N	-1	0	260.315	0.319	20	30		CCEDRM
Cc1noc(CCCn2cc(C(=O)[O-])cc(C#N)c2=O)n1	ZINC000833022773	601969831	/nfs/dbraw/zinc/96/98/31/601969831.db2.gz	GWTBKSVKWQIXJK-UHFFFAOYSA-N	-1	0	288.263	0.742	20	30		CCEDRM
N#CCN(CC(=O)[O-])C(=O)[C@H]1CCCc2n[nH]cc21	ZINC000833066299	602021228	/nfs/dbraw/zinc/02/12/28/602021228.db2.gz	SZMNNMRQPPVHRJ-QMMMGPOBSA-N	-1	0	262.269	0.266	20	30		CCEDRM
C#CCNC(=O)[C@@H](C)OC(=O)[C@]1(C)CCN(C(=O)[O-])C1	ZINC000823455271	612949137	/nfs/dbraw/zinc/94/91/37/612949137.db2.gz	BLHMUBMTWFDLSP-NOZJJQNGSA-N	-1	0	282.296	0.058	20	30		CCEDRM
Cc1nn(CC(=O)Nc2ccccc2C(=O)[O-])c(N)c1C#N	ZINC000833015982	602127239	/nfs/dbraw/zinc/12/72/39/602127239.db2.gz	QHGYUCRGBKQZFI-UHFFFAOYSA-N	-1	0	299.290	0.982	20	30		CCEDRM
C[C@H](CC(=O)[O-])C(=O)N1CCN(C2CC2)[C@H](C#N)C1	ZINC000827261691	602158332	/nfs/dbraw/zinc/15/83/32/602158332.db2.gz	ADLCHDOUEOLMEG-MWLCHTKSSA-N	-1	0	265.313	0.296	20	30		CCEDRM
COc1cc(C=NNCC(=O)[O-])cc2c1OCO2	ZINC000814956666	617179127	/nfs/dbraw/zinc/17/91/27/617179127.db2.gz	KJTIPVJRDHENRT-UHFFFAOYSA-N	-1	0	252.226	0.432	20	30		CCEDRM
C[C@@H](CC(=O)NC1CCN(CC#N)CC1)NC(=O)[O-]	ZINC000824621680	602882013	/nfs/dbraw/zinc/88/20/13/602882013.db2.gz	HFYVNJXLBXMZEB-VIFPVBQESA-N	-1	0	268.317	0.137	20	30		CCEDRM
C#CCNC(=O)[C@H](C)OC(=O)[C@@H]1CCC[C@H]1NC(=O)[O-]	ZINC000823456921	612950963	/nfs/dbraw/zinc/95/09/63/612950963.db2.gz	SBOCPSBWNDIAFQ-IVZWLZJFSA-N	-1	0	282.296	0.104	20	30		CCEDRM
N#CCN(C(=O)CN(CC1CC1)C(=O)[O-])C1CC1	ZINC000831097308	603404279	/nfs/dbraw/zinc/40/42/79/603404279.db2.gz	HUMANQYMDPQHNC-UHFFFAOYSA-N	-1	0	251.286	0.891	20	30		CCEDRM
C#CCNC(=O)[C@H](C)OC(=O)[C@H]1CCC[C@H]1NC(=O)[O-]	ZINC000823456923	612951260	/nfs/dbraw/zinc/95/12/60/612951260.db2.gz	SBOCPSBWNDIAFQ-LPEHRKFASA-N	-1	0	282.296	0.104	20	30		CCEDRM
N#C[C@@H]1CN(C(=O)[O-])CCN1C(=O)CC[C@H]1CCCO1	ZINC000831081871	603590535	/nfs/dbraw/zinc/59/05/35/603590535.db2.gz	CCMPVACUNUJTSF-GHMZBOCLSA-N	-1	0	281.312	0.660	20	30		CCEDRM
N#CCN1CCN(C(=O)C[C@@H]2CCCN2C(=O)[O-])CC1	ZINC000831102667	603627539	/nfs/dbraw/zinc/62/75/39/603627539.db2.gz	QFAOMXAGVFAYLO-NSHDSACASA-N	-1	0	280.328	0.187	20	30		CCEDRM
C[C@@H](C#N)NC(=O)C1(NC(=O)[O-])Cc2ccccc2C1	ZINC000823646936	603699906	/nfs/dbraw/zinc/69/99/06/603699906.db2.gz	HLQOSWLSVGVJRB-VIFPVBQESA-N	-1	0	273.292	0.820	20	30		CCEDRM
N#Cc1cc(F)ccc1S(=O)(=O)NCCNC(=O)[O-]	ZINC000831118109	603791556	/nfs/dbraw/zinc/79/15/56/603791556.db2.gz	MUNVIYMURFVUSS-UHFFFAOYSA-N	-1	0	287.272	0.243	20	30		CCEDRM
N#Cc1cccc(COC(=O)[C@@H]2COCCN2C(=O)[O-])c1	ZINC000831146114	603906302	/nfs/dbraw/zinc/90/63/02/603906302.db2.gz	ITSCEWMWEYMWJN-LBPRGKRZSA-N	-1	0	290.275	0.980	20	30		CCEDRM
N#Cc1c[nH]c(C(=O)N2CCC[C@H]2CNC(=O)[O-])c1	ZINC000831115038	603935407	/nfs/dbraw/zinc/93/54/07/603935407.db2.gz	YGDNWDUFDJCOTP-VIFPVBQESA-N	-1	0	262.269	0.759	20	30		CCEDRM
C[C@H](CC(=O)OCC(=O)N[C@@](C)(C#N)C1CC1)NC(=O)[O-]	ZINC000824730101	603965093	/nfs/dbraw/zinc/96/50/93/603965093.db2.gz	VUPCLBQLEFJGFA-OQPBUACISA-N	-1	0	297.311	0.384	20	30		CCEDRM
Cc1n[nH]cc1C(=O)N1CCN(C(=O)[O-])C[C@@H]1C#N	ZINC000829833014	604075910	/nfs/dbraw/zinc/07/59/10/604075910.db2.gz	DMVFCXIBVPSKPL-QMMMGPOBSA-N	-1	0	263.257	0.046	20	30		CCEDRM
Cn1cc(/C=C/C(=O)N2CCN(C(=O)[O-])C[C@H]2C#N)cn1	ZINC000830999667	604078401	/nfs/dbraw/zinc/07/84/01/604078401.db2.gz	LBSYRVQIGHPROI-KXMPLOMGSA-N	-1	0	289.295	0.148	20	30		CCEDRM
N#Cc1cc(COC(=O)[C@H]2CCN(C(=O)[O-])C2)ccn1	ZINC000831114411	604125610	/nfs/dbraw/zinc/12/56/10/604125610.db2.gz	NLAITSTYOIJECX-JTQLQIEISA-N	-1	0	275.264	0.996	20	30		CCEDRM
C[C@H](CN(C)C(=O)[O-])C(=O)N1CCC(C#N)CC1	ZINC000824831840	604128623	/nfs/dbraw/zinc/12/86/23/604128623.db2.gz	HDJSUWOHMMVCTA-SECBINFHSA-N	-1	0	253.302	0.994	20	30		CCEDRM
Cn1cc(C#N)c(NC(=O)NCC(C)(C)NC(=O)[O-])n1	ZINC000830984531	604154904	/nfs/dbraw/zinc/15/49/04/604154904.db2.gz	GODUMFPCSPAAMQ-UHFFFAOYSA-N	-1	0	280.288	0.459	20	30		CCEDRM
N#C[C@H]1CN(C(=O)[O-])CCN1C(=O)c1ccc(O)cc1O	ZINC000831087402	604156235	/nfs/dbraw/zinc/15/62/35/604156235.db2.gz	LMJOVCCASYHVFN-QMMMGPOBSA-N	-1	0	291.263	0.426	20	30		CCEDRM
N#C[C@H](NC(=O)[C@H]1CN(C(=O)[O-])CCO1)C1CCCCC1	ZINC000831071119	604274315	/nfs/dbraw/zinc/27/43/15/604274315.db2.gz	YMBINKUWLGRSFJ-NWDGAFQWSA-N	-1	0	295.339	0.954	20	30		CCEDRM
Cc1cc(NC(=O)Cn2cnc(C#N)n2)c(C(=O)[O-])[nH]1	ZINC000832895446	604309676	/nfs/dbraw/zinc/30/96/76/604309676.db2.gz	WKGWTKBKPVTPNI-UHFFFAOYSA-N	-1	0	274.240	0.123	20	30		CCEDRM
C[C@@H](C(=O)N(CC#N)CC(=O)[O-])C1CCOCC1	ZINC000833402436	604558922	/nfs/dbraw/zinc/55/89/22/604558922.db2.gz	MJNQVGVSYOTSLW-SECBINFHSA-N	-1	0	254.286	0.486	20	30		CCEDRM
C[C@@H](NC(=O)[O-])[C@H]1CN(C(=O)CSCC#N)CCO1	ZINC000825301834	604665491	/nfs/dbraw/zinc/66/54/91/604665491.db2.gz	MJHFZQAZNHNMTI-RKDXNWHRSA-N	-1	0	287.341	0.127	20	30		CCEDRM
C#CCNS(=O)(=O)c1ccc(F)cc1C(=O)[O-]	ZINC000833363943	604680428	/nfs/dbraw/zinc/68/04/28/604680428.db2.gz	FWYLSAKKUPBCMS-UHFFFAOYSA-N	-1	0	257.242	0.435	20	30		CCEDRM
C#CC[C@@H](NC(=O)[C@H](C)c1c(C)n[nH]c1C)C(=O)[O-]	ZINC000910051980	613040939	/nfs/dbraw/zinc/04/09/39/613040939.db2.gz	KLZTYDJBJWSFOZ-GMSGAONNSA-N	-1	0	263.297	0.723	20	30		CCEDRM
CC(C)(C#N)CNc1ccc(S(N)(=O)=O)cc1C(=O)[O-]	ZINC000833413838	605078868	/nfs/dbraw/zinc/07/88/68/605078868.db2.gz	SQUQZKJWCNJOAI-UHFFFAOYSA-N	-1	0	297.336	0.994	20	30		CCEDRM
N#CC1(C(=O)OC[C@@H]2CCN(C(=O)[O-])C2)CCOCC1	ZINC000831070999	605199517	/nfs/dbraw/zinc/19/95/17/605199517.db2.gz	WPOMOSMZYQSYEK-SNVBAGLBSA-N	-1	0	282.296	0.850	20	30		CCEDRM
C[C@H](NC(=O)[O-])C(=O)OC1CCN(CC#N)CC1	ZINC000825186891	605269158	/nfs/dbraw/zinc/26/91/58/605269158.db2.gz	VYZULXKENHIPIG-QMMMGPOBSA-N	-1	0	255.274	0.174	20	30		CCEDRM
CS[C@@H](C)CC(=O)N1CCN(C(=O)[O-])C[C@H]1C#N	ZINC000833893812	605321484	/nfs/dbraw/zinc/32/14/84/605321484.db2.gz	SPKMKJJWQVSZSC-DTWKUNHWSA-N	-1	0	271.342	0.842	20	30		CCEDRM
N#CCN(CC#N)C(=O)CC[C@H]1CCN(C(=O)[O-])C1	ZINC000833966383	605443740	/nfs/dbraw/zinc/44/37/40/605443740.db2.gz	FIHLWFQTHVVOBP-JTQLQIEISA-N	-1	0	264.285	0.642	20	30		CCEDRM
C[C@@H]1C[C@H](NC(=O)[O-])CCN1S(=O)(=O)CCCC#N	ZINC000825845867	605529949	/nfs/dbraw/zinc/52/99/49/605529949.db2.gz	RIWDBFXKFKCTCT-NXEZZACHSA-N	-1	0	289.357	0.740	20	30		CCEDRM
N#CCCCNC(=O)C[C@H]1CN(C(=O)[O-])CCO1	ZINC000833969133	605570740	/nfs/dbraw/zinc/57/07/40/605570740.db2.gz	RLAGPWOQAJOEJS-VIFPVBQESA-N	-1	0	255.274	0.175	20	30		CCEDRM
N#C[C@H](NC(=O)C[C@@H]1CSCCN1C(=O)[O-])C1CC1	ZINC000831070358	605646432	/nfs/dbraw/zinc/64/64/32/605646432.db2.gz	JOUQDHNVWILGII-ZJUUUORDSA-N	-1	0	283.353	0.890	20	30		CCEDRM
N#Cc1c[nH]c(-c2nc([C@@H]3COCCN3C(=O)[O-])no2)c1	ZINC000833969557	605702928	/nfs/dbraw/zinc/70/29/28/605702928.db2.gz	FSRWASAEYOBFGF-VIFPVBQESA-N	-1	0	289.251	0.988	20	30		CCEDRM
C=CCOCCNC(=O)N1CCO[C@@H](CC(=O)[O-])C1	ZINC000311757206	605752950	/nfs/dbraw/zinc/75/29/50/605752950.db2.gz	UPWPGIMRUSFNMR-JTQLQIEISA-N	-1	0	272.301	0.074	20	30		CCEDRM
C[C@H](CNC(=O)[C@@H](O)c1ccc(C#N)cc1)C(=O)[O-]	ZINC000833517087	605755447	/nfs/dbraw/zinc/75/54/47/605755447.db2.gz	GJWGCSMTWNEUEK-KCJUWKMLSA-N	-1	0	262.265	0.429	20	30		CCEDRM
N#CC1(COC(=O)CCNC(=O)[O-])CCOCC1	ZINC000833964256	605781207	/nfs/dbraw/zinc/78/12/07/605781207.db2.gz	CVYPSWIQZGASGE-UHFFFAOYSA-N	-1	0	256.258	0.508	20	30		CCEDRM
C[C@H](CNC(=O)[O-])CNC(=O)NCCCCC#N	ZINC000833809783	605792196	/nfs/dbraw/zinc/79/21/96/605792196.db2.gz	VZXBONSUTQANBZ-VIFPVBQESA-N	-1	0	256.306	0.883	20	30		CCEDRM
N#Cc1ccc([C@@H](O)C(=O)N2CC[C@H](NC(=O)[O-])C2)cc1	ZINC000833972385	605847447	/nfs/dbraw/zinc/84/74/47/605847447.db2.gz	COOVQHCCSGMACO-NWDGAFQWSA-N	-1	0	289.291	0.460	20	30		CCEDRM
C=CCCOCCNC(=O)c1cc(C(=O)[O-])no1	ZINC000386360892	605877945	/nfs/dbraw/zinc/87/79/45/605877945.db2.gz	YMXUPUPQODVUDX-UHFFFAOYSA-N	-1	0	254.242	0.695	20	30		CCEDRM
N#CC1(C(=O)NC[C@H](NC(=O)[O-])C2CC2)CCOCC1	ZINC000833964018	605915247	/nfs/dbraw/zinc/91/52/47/605915247.db2.gz	BGRXKBQYKNKVML-JTQLQIEISA-N	-1	0	281.312	0.469	20	30		CCEDRM
N#C[C@H]1CSCCN1C(=O)[C@H]1CCN(C(=O)[O-])C1	ZINC000833966126	605972884	/nfs/dbraw/zinc/97/28/84/605972884.db2.gz	HSJNOLXAABAOPC-IUCAKERBSA-N	-1	0	269.326	0.454	20	30		CCEDRM
N#C[C@H]1CSCCN1C(=O)CN(C(=O)[O-])C1CC1	ZINC000833965701	605972921	/nfs/dbraw/zinc/97/29/21/605972921.db2.gz	DIXZBGIBPFCMDB-VIFPVBQESA-N	-1	0	269.326	0.596	20	30		CCEDRM
Cn1cc(C#N)c(NC(=O)CN(C(=O)[O-])C2CC2)n1	ZINC000833946395	605975072	/nfs/dbraw/zinc/97/50/72/605975072.db2.gz	YWYFXQKRYLKIAA-UHFFFAOYSA-N	-1	0	263.257	0.373	20	30		CCEDRM
N#CC1(NC(=O)CCNC(=O)[O-])CCSCC1	ZINC000833963246	606072952	/nfs/dbraw/zinc/07/29/52/606072952.db2.gz	KAWYRPKEIAVVOI-UHFFFAOYSA-N	-1	0	257.315	0.550	20	30		CCEDRM
C#CCCS(=O)(=O)[N-]C(=O)[C@H]1CCO[C@H](CC)C1	ZINC000810785142	613053300	/nfs/dbraw/zinc/05/33/00/613053300.db2.gz	YQVLBKQCSLJFMU-WDEREUQCSA-N	-1	0	273.354	0.661	20	30		CCEDRM
C#CCCS(=O)(=O)[N-]C(=O)[C@H]1CCCCS1	ZINC000810781699	613053358	/nfs/dbraw/zinc/05/33/58/613053358.db2.gz	AHLLXVSQTIVNAJ-SECBINFHSA-N	-1	0	261.368	0.741	20	30		CCEDRM
C#CCCS(=O)(=O)[N-]C(=O)[C@@H]1C[C@@H](C)O[C@@H]1C	ZINC000870331740	613053160	/nfs/dbraw/zinc/05/31/60/613053160.db2.gz	PDVFYXJJUOJHEX-OPRDCNLKSA-N	-1	0	259.327	0.269	20	30		CCEDRM
Cc1nc(-c2nnn[n-]2)c(N=NCC[C@H]2CCOC2)o1	ZINC000826323297	608228862	/nfs/dbraw/zinc/22/88/62/608228862.db2.gz	YVFMJIRBNFWDCW-QMMMGPOBSA-N	-1	0	277.288	0.987	20	30		CCEDRM
C#CCN(C1CCCC1)S(=O)(=O)C[C@H](C)C(=O)[O-]	ZINC000825608768	613098092	/nfs/dbraw/zinc/09/80/92/613098092.db2.gz	KIXRLPDHKKYMGG-JTQLQIEISA-N	-1	0	273.354	0.915	20	30		CCEDRM
C#CCN(CC(=O)[O-])S(=O)(=O)c1cccc(COC)c1	ZINC000849219421	613103488	/nfs/dbraw/zinc/10/34/88/613103488.db2.gz	URPSAURIDDJOAT-UHFFFAOYSA-N	-1	0	297.332	0.542	20	30		CCEDRM
C=C(Cl)C[C@H](NC(=O)CS(=O)(=O)C(C)C)C(=O)[O-]	ZINC000864185640	613390629	/nfs/dbraw/zinc/39/06/29/613390629.db2.gz	YFGAFQXONHFUEM-QMMMGPOBSA-N	-1	0	297.760	0.522	20	30		CCEDRM
CC(C)(C)[C@@H](C#N)NC(=O)C[C@@H]1CN(C(=O)[O-])CCO1	ZINC000823755377	614021173	/nfs/dbraw/zinc/02/11/73/614021173.db2.gz	ZKSYXHHXGUHVQN-NXEZZACHSA-N	-1	0	283.328	0.810	20	30		CCEDRM
C#CCOCCC(=O)N(CCC(=O)[O-])CC(C)C	ZINC000833364661	612977352	/nfs/dbraw/zinc/97/73/52/612977352.db2.gz	WHJWVJBZNKCVSW-UHFFFAOYSA-N	-1	0	255.314	0.986	20	30		CCEDRM
C#CCCCCCC(=O)[N-]S(=O)(=O)CCC(=O)OC	ZINC000842356165	612976364	/nfs/dbraw/zinc/97/63/64/612976364.db2.gz	TXBVIPBKQCHMGW-UHFFFAOYSA-N	-1	0	289.353	0.579	20	30		CCEDRM
COc1ccc(C(=O)[N-]S(=O)(=O)CC2(C#N)CC2)o1	ZINC000847679233	617231012	/nfs/dbraw/zinc/23/10/12/617231012.db2.gz	NMPZSNPJNPLAKX-UHFFFAOYSA-N	-1	0	284.293	0.652	20	30		CCEDRM
CSC[C@@H](C)C(=O)N1CCN(C(=O)[O-])C[C@H]1C#N	ZINC000829716641	617247785	/nfs/dbraw/zinc/24/77/85/617247785.db2.gz	LSCAICGFOOWEQX-RKDXNWHRSA-N	-1	0	271.342	0.700	20	30		CCEDRM
COc1ccc(OC)c([C@@H](O)CN(CC#N)CC(=O)[O-])c1	ZINC000832431352	617275784	/nfs/dbraw/zinc/27/57/84/617275784.db2.gz	NNDKEFXTHSRELK-LBPRGKRZSA-N	-1	0	294.307	0.647	20	30		CCEDRM
CSc1[n-]c(=O)c(C(=O)N2CCOCN2)cc1C#N	ZINC000928953379	617283442	/nfs/dbraw/zinc/28/34/42/617283442.db2.gz	JJNTZAFQXVLXRR-UHFFFAOYSA-N	-1	0	280.309	0.315	20	30		CCEDRM
CSc1nccnc1C([O-])=C(C#N)C(=O)NC1CC1	ZINC000892497435	617286755	/nfs/dbraw/zinc/28/67/55/617286755.db2.gz	ZPLQKLYIJFYVDN-MRVPVSSYSA-N	-1	0	276.321	0.800	20	30		CCEDRM
C#CCCCn1cc(C(=O)OC)cc(-c2nnn[n-]2)c1=O	ZINC000823845468	612986203	/nfs/dbraw/zinc/98/62/03/612986203.db2.gz	UEFAFTPIRAQQOP-UHFFFAOYSA-N	-1	0	287.279	0.228	20	30		CCEDRM
C#CCOCCOC(=O)[C@@H]1CC[C@H](NC(=O)[O-])C1	ZINC000823463249	612990500	/nfs/dbraw/zinc/99/05/00/612990500.db2.gz	JXKIYTGFZDLIKC-ZJUUUORDSA-N	-1	0	255.270	0.616	20	30		CCEDRM
C#CCO[N-]C(=O)CNS(=O)(=O)c1cc(C)ccc1C	ZINC000812783521	612992169	/nfs/dbraw/zinc/99/21/69/612992169.db2.gz	TYHZKQJOYRXMSB-UHFFFAOYSA-N	-1	0	296.348	0.263	20	30		CCEDRM
C#CCO[N-]C(=O)[C@@]1(C)CN(C(=O)OC(C)(C)C)CCO1	ZINC000869252137	612992600	/nfs/dbraw/zinc/99/26/00/612992600.db2.gz	DRUBXRPTHJCHIA-CQSZACIVSA-N	-1	0	298.339	0.693	20	30		CCEDRM
C#CCO[N-]C(=O)[C@@H]1CCCCN1C(=O)c1ccco1	ZINC000855602982	612992605	/nfs/dbraw/zinc/99/26/05/612992605.db2.gz	IFKDVKGALKACLF-NSHDSACASA-N	-1	0	276.292	0.955	20	30		CCEDRM
C#CCO[N-]C(=O)[C@H](Oc1ccccc1)C(C)(C)O	ZINC000855606253	612992873	/nfs/dbraw/zinc/99/28/73/612992873.db2.gz	FIOPZKAQLFQDBX-LBPRGKRZSA-N	-1	0	263.293	0.886	20	30		CCEDRM
C#CCO[C@@H](C)C(=O)N[C@@H](CC(=O)[O-])C(F)(F)F	ZINC000911163635	612997090	/nfs/dbraw/zinc/99/70/90/612997090.db2.gz	ZURKMJWBBHRNOT-BQBZGAKWSA-N	-1	0	267.203	0.547	20	30		CCEDRM
C#CCO[C@H](C)C(=O)N(CCC(=O)[O-])C[C@H]1CCCO1	ZINC000908988284	612998901	/nfs/dbraw/zinc/99/89/01/612998901.db2.gz	OBCLNQYJGGYDNI-VXGBXAGGSA-N	-1	0	283.324	0.507	20	30		CCEDRM
C#CCO[C@H](C)C(=O)N[C@@H]1CC[C@H](CC(=O)[O-])C1	ZINC000908381905	613002799	/nfs/dbraw/zinc/00/27/99/613002799.db2.gz	BPOUSXNJTISZKR-OUAUKWLOSA-N	-1	0	253.298	0.784	20	30		CCEDRM
C#CCO[C@H](C)C(=O)N[C@@H]1CCC[C@@]1(C)C(=O)[O-]	ZINC000909993554	613002816	/nfs/dbraw/zinc/00/28/16/613002816.db2.gz	OFBMPNFNWXEVIX-GIPNMCIBSA-N	-1	0	253.298	0.784	20	30		CCEDRM
C#CCO[C@H](C)C(=O)N[C@H](CCCC=C)C(=O)[O-]	ZINC000910915776	613003088	/nfs/dbraw/zinc/00/30/88/613003088.db2.gz	ASZZSHKHPIIMCL-GHMZBOCLSA-N	-1	0	253.298	0.950	20	30		CCEDRM
C#CCOc1ccc(NC(=O)NCc2n[nH]c(=O)[n-]2)cc1	ZINC000137442439	613007171	/nfs/dbraw/zinc/00/71/71/613007171.db2.gz	DTSSSLZHHPLEDM-UHFFFAOYSA-N	-1	0	287.279	0.432	20	30		CCEDRM
C#CCOc1cccc(OCC(=O)NCC(=O)[O-])c1	ZINC000819706350	613007817	/nfs/dbraw/zinc/00/78/17/613007817.db2.gz	YHNGIDUDXDRAIS-UHFFFAOYSA-N	-1	0	263.249	0.278	20	30		CCEDRM
C#CCCN1CCN(C(=O)[C@@H]2CC[C@H](NC(=O)[O-])C2)CC1	ZINC000823444502	613009614	/nfs/dbraw/zinc/00/96/14/613009614.db2.gz	KUHMNAIQHCAUPM-OLZOCXBDSA-N	-1	0	293.367	0.590	20	30		CCEDRM
C#CCCN1CCN(C(=O)[C@H](CC)C(=O)[O-])CC1	ZINC000911251603	613010003	/nfs/dbraw/zinc/01/00/03/613010003.db2.gz	CKXZSJQRDKHYRK-NSHDSACASA-N	-1	0	252.314	0.265	20	30		CCEDRM
C#CC[C@@H](COC)NC(=O)C(C)(C)[N-]C(=O)C(F)(F)F	ZINC000876079766	613032429	/nfs/dbraw/zinc/03/24/29/613032429.db2.gz	LREDQYJOYREEGK-QMMMGPOBSA-N	-1	0	294.273	0.598	20	30		CCEDRM
C#CC[C@@H](NC(=O)[C@@H]1CCC(=O)c2cccn21)C(=O)[O-]	ZINC000910050156	613040655	/nfs/dbraw/zinc/04/06/55/613040655.db2.gz	GMQNSDZMEQTVON-KOLCDFICSA-N	-1	0	274.276	0.598	20	30		CCEDRM
C#CC[C@@H](NC(=O)[C@@H]1CCCc2n[nH]cc21)C(=O)[O-]	ZINC000910048536	613040667	/nfs/dbraw/zinc/04/06/67/613040667.db2.gz	MEKOSPRATSDUQC-LDYMZIIASA-N	-1	0	261.281	0.422	20	30		CCEDRM
C#CC[C@@H](NC(=O)c1cc(C2CC2)n(C)n1)C(=O)[O-]	ZINC000910049676	613041832	/nfs/dbraw/zinc/04/18/32/613041832.db2.gz	ZHFMIKUBZHQTKT-SECBINFHSA-N	-1	0	261.281	0.504	20	30		CCEDRM
C#CC[C@@H](NC(=O)c1cn(CCC=C)nn1)C(=O)[O-]	ZINC000910045399	613042238	/nfs/dbraw/zinc/04/22/38/613042238.db2.gz	CLWPDWFHSYQDFW-SECBINFHSA-N	-1	0	262.269	0.061	20	30		CCEDRM
C#CCCNC(=O)[C@H]1CC12CCN(C(=O)[O-])CC2	ZINC000833787366	613047881	/nfs/dbraw/zinc/04/78/81/613047881.db2.gz	MNZHVBPTDQEQIA-SNVBAGLBSA-N	-1	0	250.298	0.906	20	30		CCEDRM
C#CCCS(=O)(=O)[N-]C(=O)C1=Cc2ccccc2OC1	ZINC000810783779	613052720	/nfs/dbraw/zinc/05/27/20/613052720.db2.gz	DXEBQGLLGYUDCO-UHFFFAOYSA-N	-1	0	291.328	0.932	20	30		CCEDRM
C#CCCS(=O)(=O)[N-]C(=O)[C@H](Cc1ccccc1)OC	ZINC000835371005	613053395	/nfs/dbraw/zinc/05/33/95/613053395.db2.gz	CAHHOFZXUMAOQD-ZDUSSCGKSA-N	-1	0	295.360	0.713	20	30		CCEDRM
C#CCCS(=O)(=O)[N-]C(=O)c1ccc(C)nc1OCC	ZINC000810779830	613053526	/nfs/dbraw/zinc/05/35/26/613053526.db2.gz	CQQSHKVMEKHYJJ-UHFFFAOYSA-N	-1	0	296.348	0.872	20	30		CCEDRM
C#CCCS(=O)(=O)[N-]C(=O)c1ccc2c(c1)ncn2C	ZINC000810779552	613053645	/nfs/dbraw/zinc/05/36/45/613053645.db2.gz	ROAIOXQJFDNUPW-UHFFFAOYSA-N	-1	0	291.332	0.656	20	30		CCEDRM
C#CCCS(=O)(=O)[N-]C(=O)c1cn2ccnc2s1	ZINC000810783259	613053776	/nfs/dbraw/zinc/05/37/76/613053776.db2.gz	KQRYDZOLNDGPOL-UHFFFAOYSA-N	-1	0	283.334	0.479	20	30		CCEDRM
C#CCCS(=O)(=O)[N-]C(=O)c1coc(CCC)n1	ZINC000810782830	613053813	/nfs/dbraw/zinc/05/38/13/613053813.db2.gz	YZDFPUBTGOYEFI-UHFFFAOYSA-N	-1	0	270.310	0.710	20	30		CCEDRM
C#CCCS(=O)(=O)[N-][C@H](c1cnn(C)c1)C(F)(F)F	ZINC000808308386	613055290	/nfs/dbraw/zinc/05/52/90/613055290.db2.gz	CPZQSFIPLKPNBR-SECBINFHSA-N	-1	0	295.286	0.966	20	30		CCEDRM
C#CCN(C(=O)CCCn1c(=O)[n-][nH]c1=O)C(C)C	ZINC000928623395	613065520	/nfs/dbraw/zinc/06/55/20/613065520.db2.gz	LDVGGELKKINKTA-UHFFFAOYSA-N	-1	0	266.301	0.340	20	30		CCEDRM
C#CCN(C(=O)NCC1(C(=O)[O-])CCOCC1)C1CC1	ZINC000831057711	613066689	/nfs/dbraw/zinc/06/66/89/613066689.db2.gz	NROSNFHNSYRAMD-UHFFFAOYSA-N	-1	0	280.324	0.675	20	30		CCEDRM
C#CC[C@H](NC(=O)CCNC(=O)C1CCCCC1)C(=O)[O-]	ZINC000910053780	613067603	/nfs/dbraw/zinc/06/76/03/613067603.db2.gz	JIYNREGGDURARC-LBPRGKRZSA-N	-1	0	294.351	0.666	20	30		CCEDRM
C#CC[C@H](NC(=O)CSC(F)(F)F)C(=O)[O-]	ZINC000910052586	613067778	/nfs/dbraw/zinc/06/77/78/613067778.db2.gz	CAZUJYYWOCRLFJ-YFKPBYRVSA-N	-1	0	255.217	0.832	20	30		CCEDRM
C#CC[C@H](NC(=O)COC1CCCCC1)C(=O)[O-]	ZINC000910052891	613067845	/nfs/dbraw/zinc/06/78/45/613067845.db2.gz	JOCKYQHQPLGUES-NSHDSACASA-N	-1	0	253.298	0.928	20	30		CCEDRM
C#CC[C@H](NC(=O)C[C@H](C)[C@H]1CCCO1)C(=O)[O-]	ZINC000910046415	613068038	/nfs/dbraw/zinc/06/80/38/613068038.db2.gz	ONYMIGDUEOUDCK-GARJFASQSA-N	-1	0	253.298	0.784	20	30		CCEDRM
C#CC[C@H](NC(=O)[C@@H]1CCOC2(CCC2)C1)C(=O)[O-]	ZINC000910049003	613068720	/nfs/dbraw/zinc/06/87/20/613068720.db2.gz	QRGVWXZGCMUVHG-MNOVXSKESA-N	-1	0	265.309	0.928	20	30		CCEDRM
C#CC[C@H](NC(=O)[C@H](C)c1c(C)n[nH]c1C)C(=O)[O-]	ZINC000910051982	613069161	/nfs/dbraw/zinc/06/91/61/613069161.db2.gz	KLZTYDJBJWSFOZ-XCBNKYQSSA-N	-1	0	263.297	0.723	20	30		CCEDRM
C#CC[C@H](NC(=O)[C@@]1(c2ccccc2)C[C@@H](O)C1)C(=O)[O-]	ZINC000910050552	613069205	/nfs/dbraw/zinc/06/92/05/613069205.db2.gz	KTHWOCZCSOGTPU-HEHGZKQESA-N	-1	0	287.315	0.672	20	30		CCEDRM
C#CC[C@H](NC(=O)[C@H]1CCc2cnc(C)n2C1)C(=O)[O-]	ZINC000910049573	613069659	/nfs/dbraw/zinc/06/96/59/613069659.db2.gz	XYFRKZJMEWNOTG-JQWIXIFHSA-N	-1	0	275.308	0.347	20	30		CCEDRM
C#CC[C@H](NC(=O)c1c(C)nn(CC(F)F)c1C)C(=O)[O-]	ZINC000910048515	613069951	/nfs/dbraw/zinc/06/99/51/613069951.db2.gz	LJLBFOIUSDZXPB-VIFPVBQESA-N	-1	0	299.277	0.971	20	30		CCEDRM
C#CC[C@H](NC(=O)c1ccc(NC2CC2)nc1)C(=O)[O-]	ZINC000910052295	613070112	/nfs/dbraw/zinc/07/01/12/613070112.db2.gz	SOGKHXCIWSUTIW-NSHDSACASA-N	-1	0	273.292	0.862	20	30		CCEDRM
C#CC[C@H](NC(=O)c1scc2c1OCCO2)C(=O)[O-]	ZINC000910046497	613070731	/nfs/dbraw/zinc/07/07/31/613070731.db2.gz	RDRZMLLXMIKGIF-ZETCQYMHSA-N	-1	0	281.289	0.726	20	30		CCEDRM
C#C[C@@H](C)OC(=O)COc1cccc(-c2nn[nH]n2)c1	ZINC000819689315	613082583	/nfs/dbraw/zinc/08/25/83/613082583.db2.gz	ZDFYCUCIWBXXNU-SECBINFHSA-N	-1	0	272.264	0.810	20	30		CCEDRM
C#C[C@@H](NC(=O)N1CCC[C@@H](C(=O)[O-])C1)[C@H]1CCCO1	ZINC000874397723	613093860	/nfs/dbraw/zinc/09/38/60/613093860.db2.gz	AUZSTCSLNRXGSY-IJLUTSLNSA-N	-1	0	280.324	0.673	20	30		CCEDRM
C#C[C@@H](NC(=O)N[C@H]1C[C@H](C(=O)[O-])C1)[C@@H]1CCCO1	ZINC000874399286	613097429	/nfs/dbraw/zinc/09/74/29/613097429.db2.gz	VESYVDRNJMZPRU-DBIOUOCHSA-N	-1	0	266.297	0.330	20	30		CCEDRM
C#CCN(CC)C(=O)C(C)(C)N1CCN(C(=O)[O-])CC1	ZINC000833787622	613105296	/nfs/dbraw/zinc/10/52/96/613105296.db2.gz	VWCKDCCSVUIGOY-UHFFFAOYSA-N	-1	0	281.356	0.542	20	30		CCEDRM
C#CCN(CC)C(=O)[C@H]1[C@H](C)OC(C)(C)N1C(=O)[O-]	ZINC000833787606	613106204	/nfs/dbraw/zinc/10/62/04/613106204.db2.gz	VLUOXJSBMCJSRA-VHSXEESVSA-N	-1	0	268.313	0.972	20	30		CCEDRM
C#CCN(Cc1ccc(F)cc1)C(=O)NCC(=O)[N-]OC	ZINC000927209141	613108554	/nfs/dbraw/zinc/10/85/54/613108554.db2.gz	XGZFOXDGYYRBLX-UHFFFAOYSA-N	-1	0	293.298	0.648	20	30		CCEDRM
C#C[C@@](C)(CC)NC(=O)CSc1n[nH]c(=O)[n-]1	ZINC000854701495	613112722	/nfs/dbraw/zinc/11/27/22/613112722.db2.gz	BYRGFNDDONZMMJ-JTQLQIEISA-N	-1	0	254.315	0.521	20	30		CCEDRM
C#C[C@H](CC)NC(=O)N1CCC(c2n[nH]c(=O)[n-]2)CC1	ZINC000922524143	613119701	/nfs/dbraw/zinc/11/97/01/613119701.db2.gz	BCDWHDMKDPDGRX-SNVBAGLBSA-N	-1	0	277.328	0.811	20	30		CCEDRM
C#C[C@H](CC)NC(=O)c1cc(S(N)(=O)=O)ccc1[O-]	ZINC000834381748	613122100	/nfs/dbraw/zinc/12/21/00/613122100.db2.gz	TXOYLCLACWDLFR-MRVPVSSYSA-N	-1	0	282.321	0.181	20	30		CCEDRM
C#C[C@H](NC(=O)[C@H]1C[C@@H](C)[C@H](C(=O)[O-])O1)[C@H]1CCCO1	ZINC000911579222	613147967	/nfs/dbraw/zinc/14/79/67/613147967.db2.gz	OLMACSXDZQGVMF-IYKVGLELSA-N	-1	0	281.308	0.162	20	30		CCEDRM
C#C[C@H](NC(=O)c1cc(C(=O)[O-])nn1C)C1CCOCC1	ZINC000911793043	613148587	/nfs/dbraw/zinc/14/85/87/613148587.db2.gz	ULWSMUDFHFEYKL-JTQLQIEISA-N	-1	0	291.307	0.277	20	30		CCEDRM
C#Cc1ccc(C(=O)N2CCC[C@@H](O)[C@@H]2C(=O)[O-])cc1	ZINC000911630404	613169197	/nfs/dbraw/zinc/16/91/97/613169197.db2.gz	JEUHPDQKWKNZHN-CHWSQXEVSA-N	-1	0	273.288	0.718	20	30		CCEDRM
C#Cc1ccc(C(=O)N[C@]2(C(=O)[O-])CCSC2)cn1	ZINC000833368118	613192903	/nfs/dbraw/zinc/19/29/03/613192903.db2.gz	HJELZONVMBTYPD-CYBMUJFWSA-N	-1	0	276.317	0.753	20	30		CCEDRM
C#Cc1ccc(C(=O)N[C@]2(C(=O)[O-])CCOC2)nc1	ZINC000825636081	613192941	/nfs/dbraw/zinc/19/29/41/613192941.db2.gz	BGOHODNXYSWZCF-CYBMUJFWSA-N	-1	0	260.249	0.036	20	30		CCEDRM
C#CCN1CCN(C(=O)c2s[n-]c(=O)c2Cl)CC1	ZINC000825286818	613209362	/nfs/dbraw/zinc/20/93/62/613209362.db2.gz	MZTRMESXYFGMRS-UHFFFAOYSA-N	-1	0	285.756	0.893	20	30		CCEDRM
C#Cc1cncc(C(=O)N2CCO[C@H](CC(=O)[O-])C2)c1	ZINC000909265672	613214293	/nfs/dbraw/zinc/21/42/93/613214293.db2.gz	OGPPUSMJWMATDH-GFCCVEGCSA-N	-1	0	274.276	0.379	20	30		CCEDRM
C#Cc1cncc(C(=O)N[C@@H](CSC)C(=O)[O-])c1	ZINC000910875126	613219398	/nfs/dbraw/zinc/21/93/98/613219398.db2.gz	HRJFOEATVYMPOD-JTQLQIEISA-N	-1	0	264.306	0.609	20	30		CCEDRM
C#CCNC(=O)CN1CCC(N(CC2CC2)C(=O)[O-])CC1	ZINC000823457105	613328330	/nfs/dbraw/zinc/32/83/30/613328330.db2.gz	UYSPJLSJZKJFLB-UHFFFAOYSA-N	-1	0	293.367	0.590	20	30		CCEDRM
C=C(C)COCCNC(=O)CCSCC(=O)[O-]	ZINC000909560870	613351907	/nfs/dbraw/zinc/35/19/07/613351907.db2.gz	YEHNRJFQXVCXLF-UHFFFAOYSA-N	-1	0	261.343	0.903	20	30		CCEDRM
C=C(C)CO[N-]C(=O)C(=O)Nc1ccnn1CC1CC1	ZINC000846146439	613352398	/nfs/dbraw/zinc/35/23/98/613352398.db2.gz	OFKMQIKCYJUKCZ-UHFFFAOYSA-N	-1	0	278.312	0.856	20	30		CCEDRM
C=C(C)CO[N-]C(=O)C(=O)Nc1ccn([C@@H](C)COC)n1	ZINC000846147501	613352402	/nfs/dbraw/zinc/35/24/02/613352402.db2.gz	RGIYKZBANXHKHW-JTQLQIEISA-N	-1	0	296.327	0.653	20	30		CCEDRM
C=C(C)CO[N-]C(=O)[C@H]1CCCN1S(C)(=O)=O	ZINC000846536961	613353864	/nfs/dbraw/zinc/35/38/64/613353864.db2.gz	CWEPIASIZLGQBP-SECBINFHSA-N	-1	0	262.331	0.034	20	30		CCEDRM
C=C(C)C[C@@H](NC(=O)[C@@H]1CCn2ccnc2C1)C(=O)[O-]	ZINC000910291588	613355982	/nfs/dbraw/zinc/35/59/82/613355982.db2.gz	JYFCQPJHNKXGRN-GHMZBOCLSA-N	-1	0	277.324	0.981	20	30		CCEDRM
C=C(C)C[C@@H](NC(=O)[C@@H](O)CCSC)C(=O)[O-]	ZINC000910288569	613356039	/nfs/dbraw/zinc/35/60/39/613356039.db2.gz	XLEGMWKDXCGFMP-BDAKNGLRSA-N	-1	0	261.343	0.636	20	30		CCEDRM
C=C(C)C[C@@H](NS(=O)(=O)CCOCC)C(=O)[O-]	ZINC000864452940	613356796	/nfs/dbraw/zinc/35/67/96/613356796.db2.gz	UQICVQBEMCTTMK-SECBINFHSA-N	-1	0	265.331	0.362	20	30		CCEDRM
C=C(C)C[C@H](NC(=O)CSCC(=O)[O-])C(=O)OCC	ZINC000902692314	613358720	/nfs/dbraw/zinc/35/87/20/613358720.db2.gz	NFVKYPAKUDNGMY-VIFPVBQESA-N	-1	0	289.353	0.818	20	30		CCEDRM
C=C(C)C[C@H](NC(=O)c1cc2n(n1)CCC2)C(=O)[O-]	ZINC000910293217	613359208	/nfs/dbraw/zinc/35/92/08/613359208.db2.gz	VXFNCJHIFRRTFU-NSHDSACASA-N	-1	0	263.297	0.979	20	30		CCEDRM
C=C(C)[C@@H]1OCC[C@@H]1C(=O)NC[C@@H]1CCO[C@@H]1C(=O)[O-]	ZINC000910349537	613361379	/nfs/dbraw/zinc/36/13/79/613361379.db2.gz	UXVUAMXJTXURLK-BJDJZHNGSA-N	-1	0	283.324	0.574	20	30		CCEDRM
C=C(C)[C@@H]1OCC[C@H]1CNC(=O)Cn1ccc(C(=O)[O-])n1	ZINC000910252648	613362051	/nfs/dbraw/zinc/36/20/51/613362051.db2.gz	VXSFDHCOKAYKES-GWCFXTLKSA-N	-1	0	293.323	0.679	20	30		CCEDRM
C=C(C)[C@H]1OCC[C@@H]1CNC(=O)[C@@H]1C[C@@H]1C(=O)[O-]	ZINC000910251827	613362760	/nfs/dbraw/zinc/36/27/60/613362760.db2.gz	NDZKZBLLIOKUEW-CHWFTXMASA-N	-1	0	253.298	0.805	20	30		CCEDRM
C=C(COC(=O)[C@H]1CN(C(=O)[O-])CCO1)C(=O)OCC	ZINC000823480424	613367471	/nfs/dbraw/zinc/36/74/71/613367471.db2.gz	BTOWBRLCZWTBFT-SECBINFHSA-N	-1	0	287.268	0.028	20	30		CCEDRM
C=C(Cl)CNC(=O)Nc1ccn(CC(=O)[O-])n1	ZINC000825647621	613383760	/nfs/dbraw/zinc/38/37/60/613383760.db2.gz	SCWKZAOCRWCIKQ-UHFFFAOYSA-N	-1	0	258.665	0.842	20	30		CCEDRM
C=C(Cl)C[C@@H](NC(=O)CN1CCCCC1=O)C(=O)[O-]	ZINC000864188284	613388387	/nfs/dbraw/zinc/38/83/87/613388387.db2.gz	GLQRBHTYOSJXPI-SECBINFHSA-N	-1	0	288.731	0.711	20	30		CCEDRM
C=C(Cl)C[C@@H](NC(=O)CS(=O)(=O)CC)C(=O)[O-]	ZINC000864183112	613388519	/nfs/dbraw/zinc/38/85/19/613388519.db2.gz	HNEAEXFPVFILHH-SSDOTTSWSA-N	-1	0	283.733	0.133	20	30		CCEDRM
C=C(Cl)C[C@@H](NS(=O)(=O)C1(COC)CC1)C(=O)[O-]	ZINC000863421435	613388727	/nfs/dbraw/zinc/38/87/27/613388727.db2.gz	XOSKBEFKGUIKEX-MRVPVSSYSA-N	-1	0	297.760	0.681	20	30		CCEDRM
C=C(Cl)C[C@H](NC(=O)CCCn1cncn1)C(=O)[O-]	ZINC000864184297	613390495	/nfs/dbraw/zinc/39/04/95/613390495.db2.gz	MDWMAFHKDPSRQS-VIFPVBQESA-N	-1	0	286.719	0.770	20	30		CCEDRM
C=C(Cl)C[C@H](NC(=O)Cn1ccnc1C)C(=O)[O-]	ZINC000910266714	613390712	/nfs/dbraw/zinc/39/07/12/613390712.db2.gz	OBJPKDQWCOSCKV-VIFPVBQESA-N	-1	0	271.704	0.904	20	30		CCEDRM
C=C(Cl)C[C@H](NC(=O)c1nnn(C)c1C)C(=O)[O-]	ZINC000910267092	613390761	/nfs/dbraw/zinc/39/07/61/613390761.db2.gz	RNGXTSZLJISCRO-ZETCQYMHSA-N	-1	0	272.692	0.449	20	30		CCEDRM
C=C(Cl)C[C@H](NS(=O)(=O)N1CCC[C@@H]1C)C(=O)[O-]	ZINC000863421468	613390944	/nfs/dbraw/zinc/39/09/44/613390944.db2.gz	YJKIJAMOUDVFHI-IUCAKERBSA-N	-1	0	296.776	0.901	20	30		CCEDRM
C=CCS(=O)(=O)[N-]C(=O)c1oc(CC)nc1C	ZINC000815997265	613394935	/nfs/dbraw/zinc/39/49/35/613394935.db2.gz	HAVYNVRIEQEGJG-UHFFFAOYSA-N	-1	0	258.299	0.791	20	30		CCEDRM
C=C1CCC(C(=O)N2CCO[C@H](c3nnn[n-]3)C2)CC1	ZINC000900626000	613405443	/nfs/dbraw/zinc/40/54/43/613405443.db2.gz	PDGXOOKJCOBMRR-NSHDSACASA-N	-1	0	277.328	0.846	20	30		CCEDRM
C=CC[C@@H](NC(=O)[C@@H](OC)C(=O)[O-])c1ccncc1	ZINC000901894157	613405571	/nfs/dbraw/zinc/40/55/71/613405571.db2.gz	NGMJLPMPVIMIIH-GHMZBOCLSA-N	-1	0	264.281	0.915	20	30		CCEDRM
C=C1CCC(C(=O)[N-]S(=O)(=O)N(C)CCOC)CC1	ZINC000892843172	613409482	/nfs/dbraw/zinc/40/94/82/613409482.db2.gz	WJXWSGGZEZHOCW-UHFFFAOYSA-N	-1	0	290.385	0.672	20	30		CCEDRM
CC(=O)N1CCN(C(=O)[C@@](C)(C#N)CC(=O)[O-])[C@@H](C)C1	ZINC000819730998	613411041	/nfs/dbraw/zinc/41/10/41/613411041.db2.gz	CGQATWNUVHGIPL-TVQRCGJNSA-N	-1	0	281.312	0.070	20	30		CCEDRM
C=C1CCC(CNC(=O)C(=O)NCCCC(=O)[O-])CC1	ZINC000927945088	613413564	/nfs/dbraw/zinc/41/35/64/613413564.db2.gz	QGILUWYPBSUGKU-UHFFFAOYSA-N	-1	0	282.340	0.830	20	30		CCEDRM
C=CC[C@H](CO)CNS(=O)(=O)c1c[nH]c(C(=O)[O-])c1	ZINC000833369802	613416364	/nfs/dbraw/zinc/41/63/64/613416364.db2.gz	FONYWQXEQZBLNS-QMMMGPOBSA-N	-1	0	288.325	0.176	20	30		CCEDRM
C=CCn1cc(C(=O)[N-]S(=O)(=O)C2(C)CC2)nn1	ZINC000842796191	613429584	/nfs/dbraw/zinc/42/95/84/613429584.db2.gz	ZDNBQKOFPYORDS-UHFFFAOYSA-N	-1	0	270.314	0.076	20	30		CCEDRM
C=CCn1nnn(CN2C[C@H](C)[C@@H](C(=O)[O-])C2)c1=S	ZINC000825711072	613439799	/nfs/dbraw/zinc/43/97/99/613439799.db2.gz	NNPWROBPMCHDTO-IUCAKERBSA-N	-1	0	283.357	0.605	20	30		CCEDRM
C=C[C@@H](C)O[N-]C(=O)C1(C(=O)OCC)CCOCC1	ZINC000846552362	613443355	/nfs/dbraw/zinc/44/33/55/613443355.db2.gz	GEYXFVUJODJZMC-SNVBAGLBSA-N	-1	0	271.313	0.969	20	30		CCEDRM
C=C[C@@H](C)O[N-]C(=O)COCc1ocnc1C(=O)OC	ZINC000862132562	613443593	/nfs/dbraw/zinc/44/35/93/613443593.db2.gz	ISKKQXTYZAQNSW-MRVPVSSYSA-N	-1	0	284.268	0.600	20	30		CCEDRM
C=CC(C)(C)CC(=O)N1CCN(C(=O)C(=O)[O-])CC1	ZINC000902773702	613445264	/nfs/dbraw/zinc/44/52/64/613445264.db2.gz	WQULUTCOYHQKRN-UHFFFAOYSA-N	-1	0	268.313	0.344	20	30		CCEDRM
C=C[C@@H](C)O[N-]C(=O)[C@@H]1Nc2ccccc2S(=O)(=O)N1	ZINC000846549722	613447298	/nfs/dbraw/zinc/44/72/98/613447298.db2.gz	JWRLVUDVJLOXTK-LDYMZIIASA-N	-1	0	297.336	0.339	20	30		CCEDRM
C=CC(C)(C)CCNC(=O)C(=O)[N-]OCCOCC	ZINC000875486728	613447605	/nfs/dbraw/zinc/44/76/05/613447605.db2.gz	ZPBPXFDQSBVZKK-UHFFFAOYSA-N	-1	0	272.345	0.789	20	30		CCEDRM
C=CC1(S(=O)(=O)[N-]C(=O)CC2CCOCC2)CC1	ZINC000870834709	613450381	/nfs/dbraw/zinc/45/03/81/613450381.db2.gz	NLYHQUXWVQIUSV-UHFFFAOYSA-N	-1	0	273.354	0.968	20	30		CCEDRM
C=CC1(S(=O)(=O)[N-]C(=O)C2(COCC)CC2)CC1	ZINC000870836662	613450383	/nfs/dbraw/zinc/45/03/83/613450383.db2.gz	KTPNLMCZMUQTNP-UHFFFAOYSA-N	-1	0	273.354	0.968	20	30		CCEDRM
C=CC1(S(=O)(=O)[N-]C(=O)CC[C@@H]2CCOC2)CC1	ZINC000870834260	613450474	/nfs/dbraw/zinc/45/04/74/613450474.db2.gz	TVNCDJNXKPLILL-SNVBAGLBSA-N	-1	0	273.354	0.968	20	30		CCEDRM
C=CC1(S(=O)(=O)[N-]C(=O)C[C@H](C)COC)CC1	ZINC000870834282	613450775	/nfs/dbraw/zinc/45/07/75/613450775.db2.gz	UITCYMNFIULZNQ-VIFPVBQESA-N	-1	0	261.343	0.824	20	30		CCEDRM
C=CC1(S(=O)(=O)[N-]C(=O)COCc2ccccn2)CC1	ZINC000870838057	613450893	/nfs/dbraw/zinc/45/08/93/613450893.db2.gz	JQPSFTIZEOAZPY-UHFFFAOYSA-N	-1	0	296.348	0.763	20	30		CCEDRM
C=CC1(S(=O)(=O)[N-]C(=O)[C@H](C)NC(=O)CC)CC1	ZINC000870831849	613451710	/nfs/dbraw/zinc/45/17/10/613451710.db2.gz	IPGDOEVQRJADSV-QMMMGPOBSA-N	-1	0	274.342	0.066	20	30		CCEDRM
C=CC1CCN(C(=O)COC2CN(C(=O)[O-])C2)CC1	ZINC000823490514	613452367	/nfs/dbraw/zinc/45/23/67/613452367.db2.gz	FEJDQAWNDOATSG-UHFFFAOYSA-N	-1	0	268.313	0.790	20	30		CCEDRM
C=CCC(C)(C)C(=O)[N-]S(=O)(=O)Cc1cnn(C)c1	ZINC000847847235	613453132	/nfs/dbraw/zinc/45/31/32/613453132.db2.gz	CXLXTYPXQKYWAY-UHFFFAOYSA-N	-1	0	285.369	0.968	20	30		CCEDRM
C=CCC(CC=C)C(=O)N1CCC[C@@H]1C(=O)NCC(=O)[O-]	ZINC000910756429	613453611	/nfs/dbraw/zinc/45/36/11/613453611.db2.gz	DOPNEOHXBNJPHP-GFCCVEGCSA-N	-1	0	294.351	0.947	20	30		CCEDRM
C=CCC(F)(F)C(=O)[N-]S(=O)(=O)Cc1cnn(C)c1	ZINC000847847584	613455126	/nfs/dbraw/zinc/45/51/26/613455126.db2.gz	MQKAILWBILXZNU-UHFFFAOYSA-N	-1	0	293.295	0.578	20	30		CCEDRM
C=C[C@@H]1CCCCN1C(=O)N=c1nn[n-]n1CC	ZINC000888328567	613455803	/nfs/dbraw/zinc/45/58/03/613455803.db2.gz	RRKKDOLQAOTXGT-SECBINFHSA-N	-1	0	250.306	0.687	20	30		CCEDRM
C=C[C@@H]1OCC[C@H]1C(=O)[N-]S(=O)(=O)CC1(C#N)CCC1	ZINC000835318881	613465611	/nfs/dbraw/zinc/46/56/11/613465611.db2.gz	ZZNKMCIWIMUBLT-MNOVXSKESA-N	-1	0	298.364	0.717	20	30		CCEDRM
C=CCCCN(CC)C(=O)Cn1cc(C(=O)[O-])nn1	ZINC000908222723	613466840	/nfs/dbraw/zinc/46/68/40/613466840.db2.gz	XSQVGYBVLSOIRR-UHFFFAOYSA-N	-1	0	266.301	0.791	20	30		CCEDRM
C=C[C@@H]1OCC[C@H]1CNC(=O)CCSCC(=O)[O-]	ZINC000909851310	613468853	/nfs/dbraw/zinc/46/88/53/613468853.db2.gz	NWBQGOFUFORTFI-UWVGGRQHSA-N	-1	0	273.354	0.902	20	30		CCEDRM
C=C[C@@H]1OCC[C@H]1CNC(=O)N(CCOC)CC(=O)[O-]	ZINC000909239658	613468988	/nfs/dbraw/zinc/46/89/88/613468988.db2.gz	VLGKCYQFLYWSDH-QWRGUYRKSA-N	-1	0	286.328	0.320	20	30		CCEDRM
C=CCCCS(=O)(=O)N1C[C@@H](F)C[C@H]1C(=O)[O-]	ZINC000902995337	613469220	/nfs/dbraw/zinc/46/92/20/613469220.db2.gz	BJEJTZSBIWSPBN-IUCAKERBSA-N	-1	0	265.306	0.779	20	30		CCEDRM
C=C[C@@H]1OCC[C@H]1CNC(=O)[C@H]1CC[C@H]1C(=O)[O-]	ZINC000872729710	613469783	/nfs/dbraw/zinc/46/97/83/613469783.db2.gz	BSFUNZQDBNPMQR-MMWGEVLESA-N	-1	0	253.298	0.805	20	30		CCEDRM
C=CCCC[C@@H](NS(=O)(=O)N(CC)CC)C(=O)[O-]	ZINC000903059244	613471790	/nfs/dbraw/zinc/47/17/90/613471790.db2.gz	NKPCUYCOSITWJO-SNVBAGLBSA-N	-1	0	278.374	0.972	20	30		CCEDRM
C=CCCC[C@H](N)C(=O)[N-]S(=O)(=O)[C@H]1CCCOC1	ZINC000901038405	613472927	/nfs/dbraw/zinc/47/29/27/613472927.db2.gz	FDAVNSNJJNDGHW-QWRGUYRKSA-N	-1	0	290.385	0.295	20	30		CCEDRM
C=CCCC[C@H](NC(=O)CCc1cn(C)nn1)C(=O)[O-]	ZINC000910921786	613473139	/nfs/dbraw/zinc/47/31/39/613473139.db2.gz	FZUFVDFKFUOUDX-NSHDSACASA-N	-1	0	280.328	0.673	20	30		CCEDRM
C=CCCC[C@H](NC(=O)COCc1ccnn1C)C(=O)[O-]	ZINC000910921622	613473455	/nfs/dbraw/zinc/47/34/55/613473455.db2.gz	DCFGAZLTWCERBJ-LBPRGKRZSA-N	-1	0	295.339	0.862	20	30		CCEDRM
C=CCCC[C@H](NC(=O)Cc1ccn(C)n1)C(=O)[O-]	ZINC000910916126	613473507	/nfs/dbraw/zinc/47/35/07/613473507.db2.gz	DXHRACPDNSIOQS-NSHDSACASA-N	-1	0	265.313	0.888	20	30		CCEDRM
C=CCCC[C@H](NC(=O)c1cc2n(n1)CCO2)C(=O)[O-]	ZINC000910917581	613474367	/nfs/dbraw/zinc/47/43/67/613474367.db2.gz	RNFJPFPMXRWPKB-VIFPVBQESA-N	-1	0	279.296	0.815	20	30		CCEDRM
C=CCCC[C@H](NS(=O)(=O)N1CC[C@H](C)C1)C(=O)[O-]	ZINC000903059923	613474736	/nfs/dbraw/zinc/47/47/36/613474736.db2.gz	XOAITEHDESTWCC-QWRGUYRKSA-N	-1	0	290.385	0.972	20	30		CCEDRM
C=C[C@@](C)(CCOC)C(=O)N1CC[C@@](O)(C(=O)[O-])C1	ZINC000910526479	613476729	/nfs/dbraw/zinc/47/67/29/613476729.db2.gz	GULTXSMHHUGJJY-STQMWFEESA-N	-1	0	271.313	0.263	20	30		CCEDRM
C=C[C@@](C)(CCOC)C(=O)N1C[C@@H](C)O[C@H](C(=O)[O-])C1	ZINC000910227767	613476807	/nfs/dbraw/zinc/47/68/07/613476807.db2.gz	NINQFYDFQYOYTC-SUNKGSAMSA-N	-1	0	285.340	0.916	20	30		CCEDRM
C=C[C@@](C)(CCOC)C(=O)N[C@H](CCOC)C(=O)[O-]	ZINC000909625152	613476897	/nfs/dbraw/zinc/47/68/97/613476897.db2.gz	LREUNTMXWKKORP-MFKMUULPSA-N	-1	0	273.329	0.821	20	30		CCEDRM
C=C[C@H](C)NC(=O)NCCN1CCN(C(=O)[O-])CC1	ZINC000823491062	613483078	/nfs/dbraw/zinc/48/30/78/613483078.db2.gz	QCHIPDDPRLWPHU-JTQLQIEISA-N	-1	0	270.333	0.156	20	30		CCEDRM
C=C[C@H](C)O[N-]C(=O)CSc1nnc(CCC)n1N	ZINC000846553082	613484152	/nfs/dbraw/zinc/48/41/52/613484152.db2.gz	XEVZRQPFXMEFQU-QMMMGPOBSA-N	-1	0	285.373	0.659	20	30		CCEDRM
C=C[C@H](CCC(=O)[O-])NS(=O)(=O)C[C@H]1CCOC1	ZINC000871741768	613489924	/nfs/dbraw/zinc/48/99/24/613489924.db2.gz	DLOMRXKRPJUQPY-VHSXEESVSA-N	-1	0	277.342	0.362	20	30		CCEDRM
C=C[C@H](O)C(=O)N(CCC(=O)[O-])C[C@@H]1CCCO1	ZINC000908985411	613493565	/nfs/dbraw/zinc/49/35/65/613493565.db2.gz	XRMCTBTWCUJICU-UWVGGRQHSA-N	-1	0	257.286	0.016	20	30		CCEDRM
C=C[C@H](O)C(=O)N[C@H](C)c1nc(C)c(C(=O)[O-])s1	ZINC000909502817	613497504	/nfs/dbraw/zinc/49/75/04/613497504.db2.gz	GGVCZSNFWIHGLC-RQJHMYQMSA-N	-1	0	270.310	0.874	20	30		CCEDRM
C=C[C@H](O)C(=O)N[C@H](Cc1cccc(OC)c1)C(=O)[O-]	ZINC000910211303	613497677	/nfs/dbraw/zinc/49/76/77/613497677.db2.gz	JKWYRFDPMVXEBX-NEPJUHHUSA-N	-1	0	279.292	0.354	20	30		CCEDRM
C=C[C@](C)(O)C(=O)N1C[C@H](C(=O)[O-])[C@@H](C(F)(F)F)C1	ZINC000910393734	613507169	/nfs/dbraw/zinc/50/71/69/613507169.db2.gz	ZTWOFNOUGNAJRP-BYULHYEWSA-N	-1	0	281.230	0.645	20	30		CCEDRM
C=C[C@](C)(O)C(=O)N1CC[C@](C(=O)[O-])(C(F)(F)F)C1	ZINC000909764097	613507215	/nfs/dbraw/zinc/50/72/15/613507215.db2.gz	WXTUYSAWRYDBGY-UWVGGRQHSA-N	-1	0	281.230	0.789	20	30		CCEDRM
C=CCCOCC(=O)N1CCO[C@](C)(C(=O)[O-])C1	ZINC000910325544	613571398	/nfs/dbraw/zinc/57/13/98/613571398.db2.gz	XFPSGURGHZBNHI-LBPRGKRZSA-N	-1	0	257.286	0.281	20	30		CCEDRM
C=CCCOCC(=O)[N-]S(=O)(=O)CC(F)F	ZINC000851360511	613573009	/nfs/dbraw/zinc/57/30/09/613573009.db2.gz	WURKGFKAJROWJN-UHFFFAOYSA-N	-1	0	257.258	0.290	20	30		CCEDRM
C=CCCOCCNC(=O)N[C@H](CCF)C(=O)[O-]	ZINC000909117144	613575123	/nfs/dbraw/zinc/57/51/23/613575123.db2.gz	IXQCKMDEFNUSRL-SECBINFHSA-N	-1	0	262.281	0.691	20	30		CCEDRM
C=CCCO[N-]C(=O)Cn1nc2n(c1=O)CCCC2	ZINC000856028631	613576776	/nfs/dbraw/zinc/57/67/76/613576776.db2.gz	YXFWIAKJMODJPB-UHFFFAOYSA-N	-1	0	266.301	0.005	20	30		CCEDRM
C=CCCO[N-]C(=O)Cn1nnc2c1CCCC2	ZINC000856035942	613576840	/nfs/dbraw/zinc/57/68/40/613576840.db2.gz	OSTMDZFMYUSQHN-UHFFFAOYSA-N	-1	0	250.302	0.781	20	30		CCEDRM
C=CCCO[N-]C(=O)[C@H](C)N1C(=O)NC2(CCCC2)C1=O	ZINC000856031323	613577119	/nfs/dbraw/zinc/57/71/19/613577119.db2.gz	LHHHAPZIKLOTJM-JTQLQIEISA-N	-1	0	295.339	0.863	20	30		CCEDRM
C=CCCO[C@@H](C)C(=O)N1CC[C@@](O)(C(=O)[O-])C1	ZINC000910531196	613578046	/nfs/dbraw/zinc/57/80/46/613578046.db2.gz	QSISPDWYTFFWCU-CABZTGNLSA-N	-1	0	257.286	0.016	20	30		CCEDRM
C=CCCS(=O)(=O)N1CCC([C@@H](O)C(=O)[O-])CC1	ZINC000833375025	613580758	/nfs/dbraw/zinc/58/07/58/613580758.db2.gz	SDENQVRXLRFUJJ-SNVBAGLBSA-N	-1	0	277.342	0.050	20	30		CCEDRM
C=CCCS(=O)(=O)N[C@@H]1CCOC[C@H]1CC(=O)[O-]	ZINC000899950426	613581661	/nfs/dbraw/zinc/58/16/61/613581661.db2.gz	PCXUOCRSPXFVSY-NXEZZACHSA-N	-1	0	277.342	0.362	20	30		CCEDRM
C=CCC[C@H](NC(=O)[C@H]1OCCO[C@H]1C)C(=O)[O-]	ZINC000909714967	613590517	/nfs/dbraw/zinc/59/05/17/613590517.db2.gz	JKNAOVZNWVJAHP-GUBZILKMSA-N	-1	0	257.286	0.326	20	30		CCEDRM
C=CCC[C@H](O)CN1Cc2nnc(C)n2C[C@H]1C(=O)[O-]	ZINC000923243426	613591019	/nfs/dbraw/zinc/59/10/19/613591019.db2.gz	GYJUEYVHWRQSCI-QWRGUYRKSA-N	-1	0	280.328	0.182	20	30		CCEDRM
C=CCN(C(=O)C(=O)N[C@@H]1CC[C@H](C(=O)[O-])C1)C(C)C	ZINC000843259657	613604186	/nfs/dbraw/zinc/60/41/86/613604186.db2.gz	QPDNUEIDENXEDT-WDEREUQCSA-N	-1	0	282.340	0.779	20	30		CCEDRM
C=CCN(CC(=O)[O-])C(=O)C1CCN(OC)CC1	ZINC000909516710	613641885	/nfs/dbraw/zinc/64/18/85/613641885.db2.gz	ODPVZYJFAAXEGO-UHFFFAOYSA-N	-1	0	256.302	0.359	20	30		CCEDRM
C=CCN(CC(=O)[O-])C(=O)NCCCO[C@H]1CCOC1	ZINC000797730584	613642334	/nfs/dbraw/zinc/64/23/34/613642334.db2.gz	ZZDRTGIQVFCWAY-NSHDSACASA-N	-1	0	286.328	0.464	20	30		CCEDRM
C=CCN(CC(=O)[O-])C(=O)NCCC[C@@H](C)CO	ZINC000909171979	613642608	/nfs/dbraw/zinc/64/26/08/613642608.db2.gz	FYPZZTKAWFGWBI-SNVBAGLBSA-N	-1	0	258.318	0.677	20	30		CCEDRM
C=CCN(CC(=O)[O-])C(=O)N[C@H](COC)[C@@H]1CCCO1	ZINC000929049031	613643233	/nfs/dbraw/zinc/64/32/33/613643233.db2.gz	HZCAKHXUSKAYTM-MNOVXSKESA-N	-1	0	286.328	0.463	20	30		CCEDRM
C=CCN(CC(=O)[O-])S(=O)(=O)c1c[nH]nc1Cl	ZINC000837289833	613643659	/nfs/dbraw/zinc/64/36/59/613643659.db2.gz	FPYWYGPNCQEWQF-UHFFFAOYSA-N	-1	0	279.705	0.324	20	30		CCEDRM
C=CCN(CC(=O)OCC)C(=O)c1cncc(C(=O)[O-])c1	ZINC000833375346	613645343	/nfs/dbraw/zinc/64/53/43/613645343.db2.gz	SAFFDRNMUQTZMW-UHFFFAOYSA-N	-1	0	292.291	0.971	20	30		CCEDRM
CC#CCS(=O)(=O)[N-]C(=O)CC[C@@H]1CCCO1	ZINC000810777495	613645897	/nfs/dbraw/zinc/64/58/97/613645897.db2.gz	HKBSHQAVNFPSIG-JTQLQIEISA-N	-1	0	259.327	0.415	20	30		CCEDRM
CC#CCS(=O)(=O)[N-]C(=O)CCc1ccoc1	ZINC000810777289	613645941	/nfs/dbraw/zinc/64/59/41/613645941.db2.gz	YTTDFCKCOSBBRM-UHFFFAOYSA-N	-1	0	255.295	0.682	20	30		CCEDRM
CC#CCS(=O)(=O)[N-]C(=O)Cc1cnn2c1CCCC2	ZINC000870330891	613646110	/nfs/dbraw/zinc/64/61/10/613646110.db2.gz	XAMDASUIRRTFRO-UHFFFAOYSA-N	-1	0	295.364	0.231	20	30		CCEDRM
CC#CCS(=O)(=O)[N-]C(=O)C[C@@H]1CCC(=O)[C@H]1C	ZINC000810778172	613646144	/nfs/dbraw/zinc/64/61/44/613646144.db2.gz	XAIUBJDXTSQLEM-UWVGGRQHSA-N	-1	0	271.338	0.461	20	30		CCEDRM
C=CCN(CC=C)C(=O)CCCn1c(=O)[n-][nH]c1=O	ZINC000905046719	613646450	/nfs/dbraw/zinc/64/64/50/613646450.db2.gz	RNCZREFEYAPDFI-UHFFFAOYSA-N	-1	0	266.301	0.670	20	30		CCEDRM
CC#CCS(=O)(=O)[N-]C(=O)[C@@H]1Cc2ccccc21	ZINC000810778279	613646793	/nfs/dbraw/zinc/64/67/93/613646793.db2.gz	RYAZPKNBTKYSHK-GFCCVEGCSA-N	-1	0	263.318	0.796	20	30		CCEDRM
CC#CCS(=O)(=O)[N-]C(=O)[C@H]1CC(=O)c2ccccc21	ZINC000810772776	613647006	/nfs/dbraw/zinc/64/70/06/613647006.db2.gz	FDPLWIJVLGQGHE-LBPRGKRZSA-N	-1	0	291.328	0.826	20	30		CCEDRM
CC#CCS(=O)(=O)[N-]C(=O)[C@H](C)Oc1ccccn1	ZINC000835371136	613647043	/nfs/dbraw/zinc/64/70/43/613647043.db2.gz	FJAKRAPSZIEXPT-JTQLQIEISA-N	-1	0	282.321	0.318	20	30		CCEDRM
CC#CCS(=O)(=O)[N-]C(=O)[C@@]12C[C@@H]1COC2(C)C	ZINC000850999247	613647060	/nfs/dbraw/zinc/64/70/60/613647060.db2.gz	BMKJSDFJBPRMRT-BXKDBHETSA-N	-1	0	271.338	0.271	20	30		CCEDRM
CC#CCS(=O)(=O)[N-]C(=O)c1ccc(COC)cc1	ZINC000791111603	613647413	/nfs/dbraw/zinc/64/74/13/613647413.db2.gz	USYZHQIXHZPAHP-UHFFFAOYSA-N	-1	0	281.333	0.916	20	30		CCEDRM
CC#CCS(=O)(=O)[N-]C(=O)c1ccc2c(c1)CCO2	ZINC000810775458	613647837	/nfs/dbraw/zinc/64/78/37/613647837.db2.gz	HEBIFUHKRAFQQG-UHFFFAOYSA-N	-1	0	279.317	0.704	20	30		CCEDRM
CC(=NNCC(=O)[O-])c1ccc(-n2cncn2)cc1	ZINC000814958304	613654424	/nfs/dbraw/zinc/65/44/24/613654424.db2.gz	KOLOMLGOOUAVJA-UHFFFAOYSA-N	-1	0	259.269	0.666	20	30		CCEDRM
C=CCNC(=O)C(=O)Nc1sccc1C(=O)[O-]	ZINC000825687838	613844960	/nfs/dbraw/zinc/84/49/60/613844960.db2.gz	YXIVXILXANMBCV-UHFFFAOYSA-N	-1	0	254.267	0.687	20	30		CCEDRM
C=CCNC(=O)CNC(=O)c1cccc(NC(=O)[O-])c1	ZINC000833376654	613846985	/nfs/dbraw/zinc/84/69/85/613846985.db2.gz	NAGNSJCDKKJYLH-UHFFFAOYSA-N	-1	0	277.280	0.809	20	30		CCEDRM
C=CCNC(=O)NC(=O)[C@H](C)N1CC[C@@H](N(C)C(=O)[O-])C1	ZINC000823506933	613851874	/nfs/dbraw/zinc/85/18/74/613851874.db2.gz	PIZFAUWLUUNHMV-VHSXEESVSA-N	-1	0	298.343	0.071	20	30		CCEDRM
C=CCNC(=O)C(C#N)=C([O-])c1ccnc(-n2cccn2)c1	ZINC000124044489	613852918	/nfs/dbraw/zinc/85/29/18/613852918.db2.gz	ZJHVRGANSVXTPZ-LBPRGKRZSA-N	-1	0	295.302	0.892	20	30		CCEDRM
C=CCNC(=O)C(C#N)=C([O-])c1cc(CCC)[nH]n1	ZINC000916918813	613855042	/nfs/dbraw/zinc/85/50/42/613855042.db2.gz	WTPVXMFLKNAWND-SNVBAGLBSA-N	-1	0	260.297	0.987	20	30		CCEDRM
C=CCNC(=O)[C@H](C)OC(=O)[C@@H](C)CN(C)C(=O)[O-]	ZINC000823506043	613855627	/nfs/dbraw/zinc/85/56/27/613855627.db2.gz	BDLOFIMOTNLMPZ-IUCAKERBSA-N	-1	0	272.301	0.466	20	30		CCEDRM
C=CCNS(=O)(=O)c1ccc(CC(=O)[O-])cc1	ZINC000011731430	613860330	/nfs/dbraw/zinc/86/03/30/613860330.db2.gz	KMTCEMAEVMJBGE-UHFFFAOYSA-N	-1	0	255.295	0.778	20	30		CCEDRM
C=CCOCC(=O)N1CCc2occc2[C@H]1C(=O)[O-]	ZINC000910202049	613879216	/nfs/dbraw/zinc/87/92/16/613879216.db2.gz	DIIWKCRPOWCENH-LBPRGKRZSA-N	-1	0	265.265	0.993	20	30		CCEDRM
C=CCOCC(=O)N[C@@H](C(=O)[O-])[C@H]1CCCOC1	ZINC000909547424	613879358	/nfs/dbraw/zinc/87/93/58/613879358.db2.gz	XMQZFYCLQIGWCF-GXSJLCMTSA-N	-1	0	257.286	0.185	20	30		CCEDRM
C=CCOCC(=O)[N-]S(=O)(=O)C[C@H]1CCCOC1	ZINC000803004422	613879455	/nfs/dbraw/zinc/87/94/55/613879455.db2.gz	GKQKJKGYIYRQQT-JTQLQIEISA-N	-1	0	277.342	0.062	20	30		CCEDRM
C=CCOCCCC(=O)N[C@@H]1CCN(C(=O)[O-])C1	ZINC000823516947	613879825	/nfs/dbraw/zinc/87/98/25/613879825.db2.gz	ZHGGWDRHSCRQNZ-SNVBAGLBSA-N	-1	0	256.302	0.838	20	30		CCEDRM
C=CCOCCCNC(=O)c1c(C(=O)[O-])cnn1C	ZINC000902069773	613880255	/nfs/dbraw/zinc/88/02/55/613880255.db2.gz	OFMUAJXMACMKEY-UHFFFAOYSA-N	-1	0	267.285	0.441	20	30		CCEDRM
C=CCOC[C@@H](NC(=O)C(C)(C)CCOC)C(=O)[O-]	ZINC000909769107	613881585	/nfs/dbraw/zinc/88/15/85/613881585.db2.gz	AFAHTNYHQHGTTC-SNVBAGLBSA-N	-1	0	273.329	0.821	20	30		CCEDRM
C=CCOC[C@@H](NC(=O)C[C@H]1CCCOC1)C(=O)[O-]	ZINC000909769172	613881652	/nfs/dbraw/zinc/88/16/52/613881652.db2.gz	BLTFQWYKEOURPE-GHMZBOCLSA-N	-1	0	271.313	0.575	20	30		CCEDRM
C=CCOC[C@@H](NC(=O)Cc1cncs1)C(=O)[O-]	ZINC000909770999	613881673	/nfs/dbraw/zinc/88/16/73/613881673.db2.gz	KRDXLAHOBLZOTM-SECBINFHSA-N	-1	0	270.310	0.458	20	30		CCEDRM
C=CCOC[C@@H](NC(=O)NCCC(=C)C)C(=O)[O-]	ZINC000909031196	613881685	/nfs/dbraw/zinc/88/16/85/613881685.db2.gz	VQMYDFSVLBBFBU-SNVBAGLBSA-N	-1	0	256.302	0.908	20	30		CCEDRM
C=CCOC[C@@H](NC(=O)NC/C=C\CC)C(=O)[O-]	ZINC000909037843	613881709	/nfs/dbraw/zinc/88/17/09/613881709.db2.gz	OOQXRXGSYFXWFG-WWQCOOJYSA-N	-1	0	256.302	0.908	20	30		CCEDRM
C=CCOC[C@@H](NC(=O)[C@@H]1CC12CC(OCC)C2)C(=O)[O-]	ZINC000864146771	613881817	/nfs/dbraw/zinc/88/18/17/613881817.db2.gz	XUNRWMNXORTMLT-XWAURUHHSA-N	-1	0	297.351	0.964	20	30		CCEDRM
C=CCOC[C@H](NC(=O)C[C@@H](O)CC(C)(C)C)C(=O)[O-]	ZINC000909770297	613882346	/nfs/dbraw/zinc/88/23/46/613882346.db2.gz	DZQMYAFWUOZIOT-MNOVXSKESA-N	-1	0	287.356	0.946	20	30		CCEDRM
C=CCOC[C@H](NC(=O)c1c2c(nn1C)CCC2)C(=O)[O-]	ZINC000909766380	613882682	/nfs/dbraw/zinc/88/26/82/613882682.db2.gz	IAKDLFKKYUHWBE-NSHDSACASA-N	-1	0	293.323	0.294	20	30		CCEDRM
C=CCO[N-]C(=O)[C@@H]1CC[C@H](C(F)(F)F)NC1=O	ZINC000837043817	613884404	/nfs/dbraw/zinc/88/44/04/613884404.db2.gz	TUIQIGVKSDIEQV-RNFRBKRXSA-N	-1	0	266.219	0.677	20	30		CCEDRM
C=CCOc1cccc([N-]S(=O)(=O)[C@@H]2COC[C@H]2O)c1	ZINC000914331564	613884649	/nfs/dbraw/zinc/88/46/49/613884649.db2.gz	SKGJFQJNTXCZIE-CHWSQXEVSA-N	-1	0	299.348	0.753	20	30		CCEDRM
C=CCOc1cccc(NC(=O)C(=O)[N-]OC)c1	ZINC000134755997	613884764	/nfs/dbraw/zinc/88/47/64/613884764.db2.gz	QGCVNOHEJOGOMU-UHFFFAOYSA-N	-1	0	250.254	0.868	20	30		CCEDRM
C=CCS(=O)(=O)[N-]C(=O)c1ccnn1C1CCOCC1	ZINC000850912508	613886348	/nfs/dbraw/zinc/88/63/48/613886348.db2.gz	CMZXUDCUYBUTLI-UHFFFAOYSA-N	-1	0	299.352	0.480	20	30		CCEDRM
C=CCS(=O)(=O)[N-]C(=O)c1ccc(NC(C)=O)cc1	ZINC000132757646	613886349	/nfs/dbraw/zinc/88/63/49/613886349.db2.gz	ZEFYSRGJXSXNAF-UHFFFAOYSA-N	-1	0	282.321	0.891	20	30		CCEDRM
CC(C)N1C[C@H](NC(=O)[C@](C)(C#N)CC(=O)[O-])CC1=O	ZINC000820025098	613892507	/nfs/dbraw/zinc/89/25/07/613892507.db2.gz	RAQPPWAMMLRIFP-RNCFNFMXSA-N	-1	0	281.312	0.116	20	30		CCEDRM
CC(C)C(=O)NCCN(C)C(=O)[C@](C)(C#N)CC(=O)[O-]	ZINC000819955098	613909476	/nfs/dbraw/zinc/90/94/76/613909476.db2.gz	HZXCGCRWEKASLQ-ZDUSSCGKSA-N	-1	0	283.328	0.222	20	30		CCEDRM
CC(C)C(=O)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1C#N	ZINC000816127900	613913388	/nfs/dbraw/zinc/91/33/88/613913388.db2.gz	MWSRLBXCDKCLCI-UHFFFAOYSA-N	-1	0	297.292	0.927	20	30		CCEDRM
CC(C)(C)OCCS(=O)(=O)[N-]C(=O)CC1(C#N)CC1	ZINC000835916919	614011767	/nfs/dbraw/zinc/01/17/67/614011767.db2.gz	SXAZKNYOTSKOIL-UHFFFAOYSA-N	-1	0	288.369	0.941	20	30		CCEDRM
CC(C)OCCO[N-]C(=O)[C@]1(C#N)CCCOC1	ZINC000868493958	614021299	/nfs/dbraw/zinc/02/12/99/614021299.db2.gz	ZRQHQKVZBZPLGV-LBPRGKRZSA-N	-1	0	256.302	0.780	20	30		CCEDRM
CC(C)OC[C@@H](C(=O)[O-])N(C)C(=O)c1cc(C#N)cn1C	ZINC000827006503	614025613	/nfs/dbraw/zinc/02/56/13/614025613.db2.gz	MORQYZLOXNNHOI-LBPRGKRZSA-N	-1	0	293.323	0.847	20	30		CCEDRM
CC(C)OC[C@H](C(=O)[O-])N(C)C(=O)CSCC#N	ZINC000827002569	614032025	/nfs/dbraw/zinc/03/20/25/614032025.db2.gz	ZOIXLWUPVBLIGB-SECBINFHSA-N	-1	0	274.342	0.580	20	30		CCEDRM
CC(C)(C)[C@H](O)CNC(=O)[C@](C)(C#N)CC(=O)[O-]	ZINC000819833940	614039230	/nfs/dbraw/zinc/03/92/30/614039230.db2.gz	KQKLJHDQDMGCTE-PELKAZGASA-N	-1	0	256.302	0.514	20	30		CCEDRM
CC(=O)Nc1c(C)[n-]n(-c2ccc(C#N)cn2)c1=O	ZINC000887295150	614117041	/nfs/dbraw/zinc/11/70/41/614117041.db2.gz	YNGGOJMTHHMOKK-LLVKDONJSA-N	-1	0	257.253	0.180	20	30		CCEDRM
CC(C)[C@H](C#N)OC(=O)C[C@@H]1CN(C(=O)[O-])CCO1	ZINC000824056239	614187891	/nfs/dbraw/zinc/18/78/91/614187891.db2.gz	KPGDSCDOLHPNFV-ZJUUUORDSA-N	-1	0	270.285	0.847	20	30		CCEDRM
CC(C)[C@H](C#N)OC(=O)[C@H]1CN(C(=O)[O-])CCO1	ZINC000824054722	614187965	/nfs/dbraw/zinc/18/79/65/614187965.db2.gz	BXMBPSZUAGIOTJ-DTWKUNHWSA-N	-1	0	256.258	0.457	20	30		CCEDRM
CC(C)C[C@@H](CNC(=O)[O-])NC(=O)N1CCO[C@H](C#N)C1	ZINC000824188620	614189662	/nfs/dbraw/zinc/18/96/62/614189662.db2.gz	CYBPOCCCMLMSMA-WDEREUQCSA-N	-1	0	298.343	0.603	20	30		CCEDRM
CC(C)C[C@@H](NC(=O)Nc1nn(C)cc1C#N)C(=O)[O-]	ZINC000817887532	614193774	/nfs/dbraw/zinc/19/37/74/614193774.db2.gz	RYXRFSPAFURVGG-SECBINFHSA-N	-1	0	279.300	0.913	20	30		CCEDRM
CC(C)n1ncnc1CN[C@H]1CCCN(O)C1=O	ZINC000895158487	614373999	/nfs/dbraw/zinc/37/39/99/614373999.db2.gz	KEPHKCBMQOFEND-VIFPVBQESA-N	-1	0	253.306	0.329	20	30		CCEDRM
CCC(C)(C)NC(=O)COC(=O)[C@](C)(C#N)CC(=O)[O-]	ZINC000820261446	614501230	/nfs/dbraw/zinc/50/12/30/614501230.db2.gz	LMECAHKLXLEXDK-ZDUSSCGKSA-N	-1	0	284.312	0.839	20	30		CCEDRM
CCCn1c(C)nnc1CN(CC#N)CC(=O)[O-]	ZINC000833652537	614509141	/nfs/dbraw/zinc/50/91/41/614509141.db2.gz	KCMQLWYGHLJTNA-UHFFFAOYSA-N	-1	0	251.290	0.407	20	30		CCEDRM
CCCNC(=S)NN=Cc1ccc(C(=O)[O-])[nH]1	ZINC000829519522	614877396	/nfs/dbraw/zinc/87/73/96/614877396.db2.gz	LESPMDHPBKVKCE-UHFFFAOYSA-N	-1	0	254.315	0.921	20	30		CCEDRM
CCN(C)S(=O)(=O)[N-]C(=O)c1cc(C#N)[nH]c1C	ZINC000835184097	614884364	/nfs/dbraw/zinc/88/43/64/614884364.db2.gz	DDNNFQQDQOYQJO-UHFFFAOYSA-N	-1	0	270.314	0.121	20	30		CCEDRM
CCCC(=O)[N-]S(=O)(=O)c1cncc(C#N)c1	ZINC000813984859	614891044	/nfs/dbraw/zinc/89/10/44/614891044.db2.gz	DQDATRWSDNJFLF-UHFFFAOYSA-N	-1	0	253.283	0.558	20	30		CCEDRM
CCN(CC(C)(C)O)C(=O)[C@@](C)(C#N)CC(=O)[O-]	ZINC000820333267	614951866	/nfs/dbraw/zinc/95/18/66/614951866.db2.gz	ZVYDCTQDROQEGJ-GFCCVEGCSA-N	-1	0	256.302	0.610	20	30		CCEDRM
CC1=C(C(=O)[O-])C[C@@H](CN2CCOC[C@H]2C#N)O1	ZINC000833581206	614959334	/nfs/dbraw/zinc/95/93/34/614959334.db2.gz	VFRNXIUQPZPXMJ-ZJUUUORDSA-N	-1	0	252.270	0.358	20	30		CCEDRM
CC1=C(C(=O)[O-])C[C@H](CN2CCO[C@@H](C#N)C2)O1	ZINC000833581494	614960995	/nfs/dbraw/zinc/96/09/95/614960995.db2.gz	XJPNWXQXMAOASF-ZJUUUORDSA-N	-1	0	252.270	0.358	20	30		CCEDRM
CC1CC(C#N)(C(=O)N2CCO[C@H](C(=O)[O-])C2)C1	ZINC000818085183	615010878	/nfs/dbraw/zinc/01/08/78/615010878.db2.gz	OWRQNODZEMYUFK-XEVUQIKYSA-N	-1	0	252.270	0.238	20	30		CCEDRM
CCN(Cc1cn(C)nn1)C(=O)[C@@](C)(C#N)CC(=O)[O-]	ZINC000820348112	615068734	/nfs/dbraw/zinc/06/87/34/615068734.db2.gz	LSMSBUBXBPWQRG-GFCCVEGCSA-N	-1	0	279.300	0.168	20	30		CCEDRM
CCOC(=O)C(C)(C)O[N-]C(=O)[C@]1(C#N)CCCOC1	ZINC000869221895	615152142	/nfs/dbraw/zinc/15/21/42/615152142.db2.gz	WGRXEJHFOSBXAI-ZDUSSCGKSA-N	-1	0	284.312	0.696	20	30		CCEDRM
CCO[N-]C(=O)CNC(=O)/C=C\C(=O)c1ccc(C)cc1	ZINC000911897926	615356259	/nfs/dbraw/zinc/35/62/59/615356259.db2.gz	IIPUXKFLHJHNLR-HJWRWDBZSA-N	-1	0	290.319	0.918	20	30		CCEDRM
CCO[N-]C(=O)CNC(=O)[C@H](C)Oc1ccccc1C#N	ZINC000846497101	615369252	/nfs/dbraw/zinc/36/92/52/615369252.db2.gz	QEVMWYABMNMTJK-JTQLQIEISA-N	-1	0	291.307	0.509	20	30		CCEDRM
CCO[N-]C(=O)CNC(=O)c1ccc(C#N)c(O)c1	ZINC000846489854	615371067	/nfs/dbraw/zinc/37/10/67/615371067.db2.gz	FCTHKLFUKOMGLC-UHFFFAOYSA-N	-1	0	263.253	0.061	20	30		CCEDRM
CCO[N-]C(=O)CNc1ccc(C#N)c([N+](=O)[O-])c1	ZINC000845714297	615376487	/nfs/dbraw/zinc/37/64/87/615376487.db2.gz	FKFKYRLPWIXNAP-UHFFFAOYSA-N	-1	0	264.241	0.946	20	30		CCEDRM
CCOC(=O)c1[nH]c(C)c(C=Nn2c(=O)[n-][nH]c2=O)c1C	ZINC000863115432	615397641	/nfs/dbraw/zinc/39/76/41/615397641.db2.gz	OKZMKHNFZJJDPY-UHFFFAOYSA-N	-1	0	293.283	0.693	20	30		CCEDRM
CCOc1cc(C=Nn2c(=O)[n-][nH]c2=O)ccc1OC	ZINC000814231168	615507391	/nfs/dbraw/zinc/50/73/91/615507391.db2.gz	OGEMXSXPRMIVNG-UHFFFAOYSA-N	-1	0	278.268	0.979	20	30		CCEDRM
CCOc1cccc(/C=N\CC(=O)[N-]OC)c1O	ZINC000899227590	615512857	/nfs/dbraw/zinc/51/28/57/615512857.db2.gz	OFFFHZAKTFNVPU-QPEQYQDCSA-N	-1	0	252.270	0.887	20	30		CCEDRM
CC[C@@H](NC(=O)Cc1noc(C)c1C#N)C(=O)[O-]	ZINC000820410951	615526854	/nfs/dbraw/zinc/52/68/54/615526854.db2.gz	LABWELGHJSAZQP-MRVPVSSYSA-N	-1	0	251.242	0.377	20	30		CCEDRM
CC[C@@H](OC)C(=O)[N-]S(=O)(=O)c1cncc(C#N)c1	ZINC000813980157	615547550	/nfs/dbraw/zinc/54/75/50/615547550.db2.gz	SOVPOCAYEVQKLM-SNVBAGLBSA-N	-1	0	283.309	0.183	20	30		CCEDRM
CC[C@@H]1CC[C@@H](C(=O)N2CCN(C(=O)[O-])C[C@@H]2C#N)O1	ZINC000826662576	615554950	/nfs/dbraw/zinc/55/49/50/615554950.db2.gz	YUHOBOBUCRQASV-AXFHLTTASA-N	-1	0	281.312	0.658	20	30		CCEDRM
CC[C@@H]1CC[C@H](C(=O)N2CCN(C(=O)[O-])C[C@@H]2C#N)O1	ZINC000826662578	615556087	/nfs/dbraw/zinc/55/60/87/615556087.db2.gz	YUHOBOBUCRQASV-HBNTYKKESA-N	-1	0	281.312	0.658	20	30		CCEDRM
CC[C@@](C)(C#N)C(=O)N1CCO[C@@](C)(C(=O)[O-])C1	ZINC000923099290	615587930	/nfs/dbraw/zinc/58/79/30/615587930.db2.gz	ASMISVDKMVLCFP-NWDGAFQWSA-N	-1	0	254.286	0.628	20	30		CCEDRM
CCc1cc(NC(=O)[C@@](C)(C#N)CC(=O)[O-])n[nH]1	ZINC000820474531	615657429	/nfs/dbraw/zinc/65/74/29/615657429.db2.gz	ZMJCZHRITCTNQU-LLVKDONJSA-N	-1	0	250.258	0.915	20	30		CCEDRM
CCc1ccc2c(c1)C(=NNCCC(=O)[O-])C(=O)N2	ZINC000820485976	615678668	/nfs/dbraw/zinc/67/86/68/615678668.db2.gz	YUDKFXZGCIJMRP-UHFFFAOYSA-N	-1	0	261.281	0.970	20	30		CCEDRM
CCc1cccc(S(=O)(=O)N(CC#N)CC(=O)[O-])c1	ZINC000830265544	615684431	/nfs/dbraw/zinc/68/44/31/615684431.db2.gz	BNYDEHPYUUGKHV-UHFFFAOYSA-N	-1	0	282.321	0.848	20	30		CCEDRM
CCn1ncc(C([O-])=C(C#N)C(=O)NCc2ccccc2)n1	ZINC000815906494	615694508	/nfs/dbraw/zinc/69/45/08/615694508.db2.gz	BFAJUMAOVYXYBM-GFCCVEGCSA-N	-1	0	297.318	0.937	20	30		CCEDRM
CC[C@H](NN=C(C)c1nn(C)cc1OC)C(=O)[O-]	ZINC000901246541	615819807	/nfs/dbraw/zinc/81/98/07/615819807.db2.gz	PKEAKBBXYGPVCJ-QMMMGPOBSA-N	-1	0	254.290	0.606	20	30		CCEDRM
CC[C@H](O)CNN=Cc1ccc([O-])c([N+](=O)[O-])c1	ZINC000811654579	615830087	/nfs/dbraw/zinc/83/00/87/615830087.db2.gz	YXPLHLYLVFQNST-VIFPVBQESA-N	-1	0	253.258	0.995	20	30		CCEDRM
CN(C)c1ccc2c(c1)NC(=O)C2=NNCC(=O)[O-]	ZINC000814960516	616020049	/nfs/dbraw/zinc/02/00/49/616020049.db2.gz	SJMBUIQSKVNKTQ-UHFFFAOYSA-N	-1	0	262.269	0.083	20	30		CCEDRM
CCn1ccc(NC(=O)N[C@H]2CCCN(O)C2=O)n1	ZINC000880094962	616033764	/nfs/dbraw/zinc/03/37/64/616033764.db2.gz	SVMCKKAQHOGHKS-QMMMGPOBSA-N	-1	0	267.289	0.405	20	30		CCEDRM
CN(CC(=O)[O-])S(=O)(=O)c1ccc(CCC#N)cc1	ZINC000887328459	616050058	/nfs/dbraw/zinc/05/00/58/616050058.db2.gz	YQSHQDFZEHTLNR-UHFFFAOYSA-N	-1	0	282.321	0.848	20	30		CCEDRM
CN(C[C@H]1CCCN1S(=O)(=O)CCCC#N)C(=O)[O-]	ZINC000828230650	616154171	/nfs/dbraw/zinc/15/41/71/616154171.db2.gz	RURFGBHVSOFCBQ-SNVBAGLBSA-N	-1	0	289.357	0.694	20	30		CCEDRM
COCCNC(=O)C(C#N)=C([O-])c1cnn(C2CC2)c1	ZINC000860467749	616492545	/nfs/dbraw/zinc/49/25/45/616492545.db2.gz	GLUATRJBUCOOMU-NSHDSACASA-N	-1	0	276.296	0.303	20	30		CCEDRM
COCCNC(=O)C(C#N)=C([O-])c1coc(C2CC2)n1	ZINC000802040929	616496493	/nfs/dbraw/zinc/49/64/93/616496493.db2.gz	UNSSSYNMKMLXKV-SECBINFHSA-N	-1	0	277.280	0.637	20	30		CCEDRM
COCCNC(=O)C(C#N)=C([O-])c1cc(C)n(C)c1C	ZINC000916890900	616496576	/nfs/dbraw/zinc/49/65/76/616496576.db2.gz	NFVMSTBARORFRD-GFCCVEGCSA-N	-1	0	277.324	0.727	20	30		CCEDRM
COC(=O)CN(CC(=O)[O-])Cc1cc(F)ccc1C#N	ZINC000831170638	616589098	/nfs/dbraw/zinc/58/90/98/616589098.db2.gz	SPJCEJAPUKRNPN-UHFFFAOYSA-N	-1	0	280.255	0.757	20	30		CCEDRM
COC(=O)C[C@@H](NC(=O)c1ccc(C#N)s1)C(=O)[O-]	ZINC000831134162	616647070	/nfs/dbraw/zinc/64/70/70/616647070.db2.gz	MZSPPAKFFFTFMC-SSDOTTSWSA-N	-1	0	282.277	0.366	20	30		CCEDRM
COC[C@H](NC(=O)C1(C#N)CCSCC1)C(=O)[O-]	ZINC000907648541	616689997	/nfs/dbraw/zinc/68/99/97/616689997.db2.gz	GNVUQSDZABXSBY-QMMMGPOBSA-N	-1	0	272.326	0.239	20	30		CCEDRM
COC(=O)C[C@H](NC(=O)c1ccc(C#N)s1)C(=O)[O-]	ZINC000831134164	616700167	/nfs/dbraw/zinc/70/01/67/616700167.db2.gz	MZSPPAKFFFTFMC-ZETCQYMHSA-N	-1	0	282.277	0.366	20	30		CCEDRM
COC[C@H](NC(=O)[C@@](C)(C#N)CC(=O)[O-])C1CC1	ZINC000820710819	616710603	/nfs/dbraw/zinc/71/06/03/616710603.db2.gz	VPLRXISYOYILBM-JOYOIKCWSA-N	-1	0	254.286	0.532	20	30		CCEDRM
COC[C@](C)(O)C(=O)O[C@H](C(=O)[O-])c1ccc(C#N)cc1	ZINC000831638059	616838997	/nfs/dbraw/zinc/83/89/97/616838997.db2.gz	QFTIFZSVSWQZLK-FZMZJTMJSA-N	-1	0	293.275	0.625	20	30		CCEDRM
COC(=O)c1ccc(CC(=O)N[C@H]2CCN(O)C2=O)cc1	ZINC000820138372	616896287	/nfs/dbraw/zinc/89/62/87/616896287.db2.gz	YXXVKJBKDJCTAP-NSHDSACASA-N	-1	0	292.291	0.122	20	30		CCEDRM
COCCCNC(=O)C(C#N)=C([O-])c1cnc2n1CCC2	ZINC000850751690	616898163	/nfs/dbraw/zinc/89/81/63/616898163.db2.gz	GBTWJXVDUGBJHH-JTQLQIEISA-N	-1	0	290.323	0.304	20	30		CCEDRM
COC[C@@H](OC)C(=O)Nc1cc(C#N)ccc1[O-]	ZINC000831272109	616933603	/nfs/dbraw/zinc/93/36/03/616933603.db2.gz	QMXFATTURXLQOF-LLVKDONJSA-N	-1	0	250.254	0.864	20	30		CCEDRM
COCCCn1ccc(NC(=O)[C@@](C)(C#N)CC(=O)[O-])n1	ZINC000820719315	616937662	/nfs/dbraw/zinc/93/76/62/616937662.db2.gz	UWWQZMOGNJZRJY-CYBMUJFWSA-N	-1	0	294.311	0.863	20	30		CCEDRM
COC(=O)[C@@H](C)CN(C)C(=O)[C@@](C)(C#N)CC(=O)[O-]	ZINC000820653406	616938240	/nfs/dbraw/zinc/93/82/40/616938240.db2.gz	HLQXEFOXYWCGAS-QPUJVOFHSA-N	-1	0	270.285	0.258	20	30		CCEDRM
COC(=O)[C@@H](C)S(=O)(=O)[N-]C(=O)CCCCC#N	ZINC000847680655	616951860	/nfs/dbraw/zinc/95/18/60/616951860.db2.gz	NPCSATGJEIQRFW-MRVPVSSYSA-N	-1	0	276.314	0.078	20	30		CCEDRM
COCCN(CC(=O)[O-])C(=O)[C@@H](O)c1ccc(C#N)cc1	ZINC000820719239	616981270	/nfs/dbraw/zinc/98/12/70/616981270.db2.gz	RPWDOZLMRYOZLA-ZDUSSCGKSA-N	-1	0	292.291	0.151	20	30		CCEDRM
COC(=O)c1cncc(NC(=O)[C@](C)(C#N)CC(=O)[O-])c1	ZINC000820693985	616993496	/nfs/dbraw/zinc/99/34/96/616993496.db2.gz	VXGGTRFCOBYXON-ZDUSSCGKSA-N	-1	0	291.263	0.811	20	30		CCEDRM
COCCN(CCC(=O)[O-])c1cc(C#N)nc(C)n1	ZINC000900978674	616997285	/nfs/dbraw/zinc/99/72/85/616997285.db2.gz	NUISXYIRCZSPGB-UHFFFAOYSA-N	-1	0	264.285	0.584	20	30		CCEDRM
COC[C@@](C)(NC(=O)c1c[nH]c(C#N)c1)C(=O)[O-]	ZINC000833720707	617022981	/nfs/dbraw/zinc/02/29/81/617022981.db2.gz	CUYFVWKCXQKXQV-LLVKDONJSA-N	-1	0	251.242	0.106	20	30		CCEDRM
CO[N-]C(=O)CNC(=O)[C@H](C#N)CCc1ccccc1	ZINC000832753281	617115582	/nfs/dbraw/zinc/11/55/82/617115582.db2.gz	LHLKEOVQAYSFIB-LBPRGKRZSA-N	-1	0	275.308	0.553	20	30		CCEDRM
CO[N-]C(=O)CNC(=O)c1ccc(C2(C#N)CC2)cc1	ZINC000832758248	617116510	/nfs/dbraw/zinc/11/65/10/617116510.db2.gz	WHLQJBZLKWUMHE-UHFFFAOYSA-N	-1	0	273.292	0.649	20	30		CCEDRM
CO[C@](C)(C(=O)[N-]S(=O)(=O)CCC#N)c1ccccc1	ZINC000835411197	617125019	/nfs/dbraw/zinc/12/50/19/617125019.db2.gz	KAVYQTWCBCQBTN-ZDUSSCGKSA-N	-1	0	296.348	0.908	20	30		CCEDRM
CO[C@@H](C(=O)[O-])C(=O)N1Cc2ccc(C#N)cc2C1	ZINC000902031652	617128343	/nfs/dbraw/zinc/12/83/43/617128343.db2.gz	GNEVHQJZXOQPDX-LLVKDONJSA-N	-1	0	260.249	0.500	20	30		CCEDRM
CO[C@@H](CNC(=O)[C@@]1(C#N)CC12CCCC2)C(=O)[O-]	ZINC000923098919	617168635	/nfs/dbraw/zinc/16/86/35/617168635.db2.gz	ASDGHOWIAKQDBB-ZANVPECISA-N	-1	0	266.297	0.676	20	30		CCEDRM
CO[C@@H]1CCCC[C@H]1C(=O)[N-]S(=O)(=O)CCC#N	ZINC000835409640	617171788	/nfs/dbraw/zinc/17/17/88/617171788.db2.gz	KEFFQWGZOJLPTN-NXEZZACHSA-N	-1	0	274.342	0.551	20	30		CCEDRM
C#CCCC[N-]S(=O)(=O)c1occc1C(=O)OC	ZINC000866886109	625338416	/nfs/dbraw/zinc/33/84/16/625338416.db2.gz	RVGPJGYOQJYGET-UHFFFAOYSA-N	-1	0	271.294	0.758	20	30		CCEDRM
C#C[C@H](NC(=O)NCC1(C(=O)[O-])CCOCC1)C(C)C	ZINC000312156090	625382205	/nfs/dbraw/zinc/38/22/05/625382205.db2.gz	PNPCCRKBYLVPIX-NSHDSACASA-N	-1	0	282.340	0.825	20	30		CCEDRM
CC#CCCNC(=O)N1CCSC[C@@H]1C(=O)[O-]	ZINC000158555303	623041549	/nfs/dbraw/zinc/04/15/49/623041549.db2.gz	LZSNYTCTYMYUPW-SECBINFHSA-N	-1	0	256.327	0.611	20	30		CCEDRM
C#CCSCCNC(=O)N[C@](C)(COC)C(=O)[O-]	ZINC000328485124	623886200	/nfs/dbraw/zinc/88/62/00/623886200.db2.gz	LTRSAOQFPBGLAN-LLVKDONJSA-N	-1	0	274.342	0.142	20	30		CCEDRM
C[C@@H](CC#N)NS(=O)(=O)c1cc(C(=O)[O-])n(C)c1	ZINC000050391977	624810812	/nfs/dbraw/zinc/81/08/12/624810812.db2.gz	FQPFASSJEMXEGQ-ZETCQYMHSA-N	-1	0	271.298	0.304	20	30		CCEDRM
C=CCN(CC(=O)[O-])C(=O)Cc1cn2ccccc2n1	ZINC000092462178	624851408	/nfs/dbraw/zinc/85/14/08/624851408.db2.gz	BOJISUBPEKXSST-UHFFFAOYSA-N	-1	0	273.292	0.976	20	30		CCEDRM
CNC(=O)C(C#N)=C([O-])c1ccn(-c2ccc(OC)cc2)n1	ZINC000121407243	624865311	/nfs/dbraw/zinc/86/53/11/624865311.db2.gz	XSAFKKAXUYIQRI-LBPRGKRZSA-N	-1	0	298.302	0.949	20	30		CCEDRM
C#CCN(CC(=O)[O-])S(=O)(=O)c1cnc(C)s1	ZINC000235832787	624884191	/nfs/dbraw/zinc/88/41/91/624884191.db2.gz	UYZHRHUGFWNLOG-UHFFFAOYSA-N	-1	0	274.323	0.160	20	30		CCEDRM
CC(C)CS(=O)(=O)[N-]C(=O)c1cc(C#N)cn1C	ZINC000176123017	624999619	/nfs/dbraw/zinc/99/96/19/624999619.db2.gz	JDVMTUVAZYAGGB-UHFFFAOYSA-N	-1	0	269.326	0.612	20	30		CCEDRM
C#C[C@H](NC(=O)N1CC[C@](COC)(C(=O)[O-])C1)C(C)C	ZINC000313602250	625856396	/nfs/dbraw/zinc/85/63/96/625856396.db2.gz	BJYDGRAYJFYWNN-FZMZJTMJSA-N	-1	0	282.340	0.777	20	30		CCEDRM
N#Cc1cnccc1[N-]S(=O)(=O)CCC1CC1	ZINC000903149668	634538501	/nfs/dbraw/zinc/53/85/01/634538501.db2.gz	CKYVZTFVHFTQCE-UHFFFAOYSA-N	-1	0	251.311	0.917	20	30		CCEDRM
N#CC[C@H](NC(=O)C[C@@]1(C(=O)[O-])CCOC1)C(F)(F)F	ZINC000905130611	634805590	/nfs/dbraw/zinc/80/55/90/634805590.db2.gz	YBFXYMWCOIIFLH-XVKPBYJWSA-N	-1	0	294.229	0.829	20	30		CCEDRM
Cc1oc(C#N)cc1C(=O)[N-]S(=O)(=O)CCCC#N	ZINC000797957177	632643401	/nfs/dbraw/zinc/64/34/01/632643401.db2.gz	SAKSXGJVCMDXDE-UHFFFAOYSA-N	-1	0	281.293	0.823	20	30		CCEDRM
Cc1[nH]nc(C(=O)N2CC[C@@H](NCC#N)[C@@H]2C)c1[O-]	ZINC000986155744	632723264	/nfs/dbraw/zinc/72/32/64/632723264.db2.gz	CNSHDUJJEAXGMM-DTWKUNHWSA-N	-1	0	263.301	0.140	20	30		CCEDRM
C=CCCO[C@H](C)C(=O)N[C@@H](C(=O)[O-])[C@H]1CCCOC1	ZINC000262844264	632754398	/nfs/dbraw/zinc/75/43/98/632754398.db2.gz	SOYBGCXSERRMAT-GRYCIOLGSA-N	-1	0	285.340	0.964	20	30		CCEDRM
C[C@@H](CO)NN=Cc1cc(Cl)ncc1C(=O)[O-]	ZINC000905450506	634863522	/nfs/dbraw/zinc/86/35/22/634863522.db2.gz	SNFVEQNDOJQHIA-LURJTMIESA-N	-1	0	257.677	0.738	20	30		CCEDRM
C[C@@]1(C(=O)[N-]Oc2cccc(C#N)c2)CCNC(=O)C1	ZINC000899784761	633896051	/nfs/dbraw/zinc/89/60/51/633896051.db2.gz	APWLMFFWBNFTIM-CQSZACIVSA-N	-1	0	273.292	0.885	20	30		CCEDRM
N#Cc1cnc(N2CCOC[C@H]2C(=O)[O-])c(Cl)c1	ZINC000900946497	634126159	/nfs/dbraw/zinc/12/61/59/634126159.db2.gz	VWSHTFXGSRCRRQ-VIFPVBQESA-N	-1	0	267.672	0.896	20	30		CCEDRM
Cn1nc(C(=O)[O-])cc1C=NNCCOCC(F)(F)F	ZINC000901206607	634208511	/nfs/dbraw/zinc/20/85/11/634208511.db2.gz	VQSBKAIPIGCXPR-UHFFFAOYSA-N	-1	0	294.233	0.621	20	30		CCEDRM
CCC[C@@H](C#N)[N-]S(=O)(=O)N=[S@@](C)(=O)CC	ZINC000906061404	634954835	/nfs/dbraw/zinc/95/48/35/634954835.db2.gz	RGHXZRMXPVNDBS-AYVTZFPOSA-N	-1	0	267.376	0.631	20	30		CCEDRM
C#C[C@@H]1COCCN1S(=O)(=O)c1ccc(C(=O)[O-])cc1	ZINC000907016071	635062125	/nfs/dbraw/zinc/06/21/25/635062125.db2.gz	WACVTVPZIVEMDZ-LLVKDONJSA-N	-1	0	295.316	0.408	20	30		CCEDRM
C[C@@H](CNC(=O)C1(C#N)CCSCC1)C(=O)[O-]	ZINC000907589969	635160990	/nfs/dbraw/zinc/16/09/90/635160990.db2.gz	XFSOFZBMXPVQFC-QMMMGPOBSA-N	-1	0	256.327	0.860	20	30		CCEDRM
O=C(C#Cc1ccccc1)N1CCC(O)(c2nnn[n-]2)CC1	ZINC000907943986	635248110	/nfs/dbraw/zinc/24/81/10/635248110.db2.gz	OSUROOZJMPWYBN-UHFFFAOYSA-N	-1	0	297.318	0.061	20	30		CCEDRM
C#CCCCC(=O)N[C@@](C)(Cn1cccn1)C(=O)[O-]	ZINC000908266044	635330090	/nfs/dbraw/zinc/33/00/90/635330090.db2.gz	YPJAVJOUJQCLQW-ZDUSSCGKSA-N	-1	0	263.297	0.646	20	30		CCEDRM
C=CCOCC(=O)Nc1ncc(CC(=O)[O-])s1	ZINC000910673124	635821011	/nfs/dbraw/zinc/82/10/11/635821011.db2.gz	LONAJFURYXOTAO-UHFFFAOYSA-N	-1	0	256.283	0.911	20	30		CCEDRM
C=CC[C@@H](C(=O)N[C@@H](CO)C(=O)[O-])c1ccccc1	ZINC000911257882	636212687	/nfs/dbraw/zinc/21/26/87/636212687.db2.gz	ZEGWHUCHUFJIFJ-NEPJUHHUSA-N	-1	0	263.293	0.908	20	30		CCEDRM
O=C([N-]C[C@H](O)C(F)(F)F)C(F)(F)C(F)F	ZINC000229627436	637123418	/nfs/dbraw/zinc/12/34/18/637123418.db2.gz	HCHPCKHIHXCCAF-REOHCLBHSA-N	-1	0	257.105	0.926	20	30		CCEDRM
COCCNC(=O)C(C#N)=C([O-])c1scnc1C	ZINC000172378793	637171916	/nfs/dbraw/zinc/17/19/16/637171916.db2.gz	XOOOBQVPUVYAKC-MRVPVSSYSA-N	-1	0	267.310	0.537	20	30		CCEDRM
Cc1cc([N+](=O)[O-])ccc1NN=C1C(=O)[N-]C(=O)NC1=O	ZINC000111870299	637813502	/nfs/dbraw/zinc/81/35/02/637813502.db2.gz	YRJREADGMICEBL-UHFFFAOYSA-N	-1	0	291.223	0.037	20	30		CCEDRM
N#Cc1c[n-]c(=O)n(C[C@H]2CCC3(CCC3)CO2)c1=O	ZINC000917859162	637992182	/nfs/dbraw/zinc/99/21/82/637992182.db2.gz	ORKZBOAAGMOTGW-LLVKDONJSA-N	-1	0	275.308	0.758	20	30		CCEDRM
C[C@H](C#N)C(=O)N1CC[C@@H](NC(=O)c2ccccc2O)C1	ZINC000939496741	638371117	/nfs/dbraw/zinc/37/11/17/638371117.db2.gz	OQJHSDQAYFCZAZ-GHMZBOCLSA-N	-1	0	287.319	0.883	20	30		CCEDRM
Cc1[nH]nc(C(=O)N2C[C@H](NCC#N)C(C)(C)C2)c1[O-]	ZINC000995673722	638787279	/nfs/dbraw/zinc/78/72/79/638787279.db2.gz	DADNWRNFYDSGMG-VIFPVBQESA-N	-1	0	277.328	0.388	20	30		CCEDRM
N#Cc1ccc(F)cc1CN1CCO[C@H](C(=O)[O-])C1	ZINC000085148080	638900677	/nfs/dbraw/zinc/90/06/77/638900677.db2.gz	NTNDCZPWXJFIJM-LBPRGKRZSA-N	-1	0	264.256	0.983	20	30		CCEDRM
CC[C@](C)(C#N)C(=O)N1CCO[C@@H](CC(=O)[O-])C1	ZINC000923063626	640012716	/nfs/dbraw/zinc/01/27/16/640012716.db2.gz	CAGYMAIMLDMGAA-JOYOIKCWSA-N	-1	0	254.286	0.628	20	30		CCEDRM
N#C[C@@]1(C(=O)NCC2(C(=O)[O-])CC2)CCCOC1	ZINC000923077468	640015462	/nfs/dbraw/zinc/01/54/62/640015462.db2.gz	RLLKQJNMTZVWOW-LBPRGKRZSA-N	-1	0	252.270	0.288	20	30		CCEDRM
C[C@H](CCC(=O)[O-])NC(=O)[C@]1(C#N)CCCOC1	ZINC000923070810	640016343	/nfs/dbraw/zinc/01/63/43/640016343.db2.gz	XFTNOGUSOHMUHM-SKDRFNHKSA-N	-1	0	254.286	0.676	20	30		CCEDRM
N#C[C@]1(C(=O)NC[C@@H](CC2CC2)C(=O)[O-])CCCOC1	ZINC000923086373	640018598	/nfs/dbraw/zinc/01/85/98/640018598.db2.gz	KZRIGZUGCAHILN-BXUZGUMPSA-N	-1	0	280.324	0.924	20	30		CCEDRM
O=c1[n-][nH]c(=O)n1N=CC1CCC2(CC1)OCCO2	ZINC000814230750	641061553	/nfs/dbraw/zinc/06/15/53/641061553.db2.gz	AJLHWDVTFYUVEA-UHFFFAOYSA-N	-1	0	268.273	0.457	20	30		CCEDRM
O=c1[n-][nH]c(=O)n1N=Cc1nccn1-c1ccccc1	ZINC000814232501	641061940	/nfs/dbraw/zinc/06/19/40/641061940.db2.gz	YVOMSHNSICNTMS-UHFFFAOYSA-N	-1	0	270.252	0.757	20	30		CCEDRM
O=c1[n-][nH]c(=O)n1N=Cc1cnnn1Cc1ccccc1	ZINC000814232461	641062265	/nfs/dbraw/zinc/06/22/65/641062265.db2.gz	XNDAAOJRUBISIE-UHFFFAOYSA-N	-1	0	285.267	0.211	20	30		CCEDRM
Cn1c(=O)sc2cc(C=NNCC(=O)[O-])ccc21	ZINC000814960378	641085078	/nfs/dbraw/zinc/08/50/78/641085078.db2.gz	LHKQGELIAGLMRW-UHFFFAOYSA-N	-1	0	265.294	0.608	20	30		CCEDRM
Cn1cnn(CCC(=O)Nc2cc(C#N)ccc2[O-])c1=O	ZINC000815877868	641127652	/nfs/dbraw/zinc/12/76/52/641127652.db2.gz	JYOCMGNENYQQLQ-UHFFFAOYSA-N	-1	0	287.279	0.188	20	30		CCEDRM
C#CCCCCNC(=O)c1cccc(-n2[n-]nnc2=N)c1	ZINC000820837767	641538881	/nfs/dbraw/zinc/53/88/81/641538881.db2.gz	OIRCLRZNBVLZAK-UHFFFAOYSA-N	-1	0	284.323	0.608	20	30		CCEDRM
C#CCN1CC[C@@H](NC(=O)c2ccc3oc(=O)nc-3[n-]2)C1	ZINC001015989663	650671136	/nfs/dbraw/zinc/67/11/36/650671136.db2.gz	VNIYMUTYUVAXEH-SECBINFHSA-N	-1	0	286.291	0.366	20	30		CCEDRM
N#CCCS(=O)(=O)[N-]C(=O)[C@H]1CSCCS1	ZINC000821582311	641610582	/nfs/dbraw/zinc/61/05/82/641610582.db2.gz	JNAMCDCOCKIVAT-SSDOTTSWSA-N	-1	0	280.396	0.195	20	30		CCEDRM
Cn1cncc1C(=O)[N-]S(=O)(=O)c1ccc(C#N)cc1	ZINC000821620081	641613734	/nfs/dbraw/zinc/61/37/34/641613734.db2.gz	XLLAQXOHSNGTQB-UHFFFAOYSA-N	-1	0	290.304	0.410	20	30		CCEDRM
C[C@@]1(C#N)CCCN(CC(=O)N2CCC(C(=O)[O-])CC2)C1	ZINC000833551987	642539881	/nfs/dbraw/zinc/53/98/81/642539881.db2.gz	XKLLQDQAZHDJKV-HNNXBMFYSA-N	-1	0	293.367	0.935	20	30		CCEDRM
N#CC1(CS(=O)(=O)[N-]C(=O)[C@@H]2CCC(=O)C2)CCC1	ZINC000842762544	642945981	/nfs/dbraw/zinc/94/59/81/642945981.db2.gz	GXSCLDJMMDIZMS-SECBINFHSA-N	-1	0	284.337	0.495	20	30		CCEDRM
C[C@H]1CCn2ncc(C(=O)[N-]S(=O)(=O)CCC#N)c2C1	ZINC000842792995	642952751	/nfs/dbraw/zinc/95/27/51/642952751.db2.gz	JPKPODDPAOVMIH-VIFPVBQESA-N	-1	0	296.352	0.439	20	30		CCEDRM
O=C(CCn1c(=O)c2ccccc2[n-]c1=S)NO	ZINC000843045978	642981506	/nfs/dbraw/zinc/98/15/06/642981506.db2.gz	RRNQSRNLWJHZRW-UHFFFAOYSA-N	-1	0	265.294	0.581	20	30		CCEDRM
C#CC[C@@H]1CCCN(C(=O)c2n[nH]c(=O)[n-]c2=O)C1	ZINC000843998935	643140280	/nfs/dbraw/zinc/14/02/80/643140280.db2.gz	JPTFUJYLMUKEEA-MRVPVSSYSA-N	-1	0	262.269	0.158	20	30		CCEDRM
Cn1cc(CS(=O)(=O)[N-]C(=O)CC(C)(C)C#N)cn1	ZINC000847849304	643561028	/nfs/dbraw/zinc/56/10/28/643561028.db2.gz	XWXCEUVSIPYZRG-UHFFFAOYSA-N	-1	0	284.341	0.306	20	30		CCEDRM
CC#CCNCc1cn(CC[N-]C(=O)C(F)(F)F)nn1	ZINC000849141260	643709994	/nfs/dbraw/zinc/70/99/94/643709994.db2.gz	OGFWXMKXSMQTTC-UHFFFAOYSA-N	-1	0	289.261	0.070	20	30		CCEDRM
C[C@H](CC#N)C(=O)[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-]	ZINC000850730299	643810149	/nfs/dbraw/zinc/81/01/49/643810149.db2.gz	APARKIQJAKBXST-MRVPVSSYSA-N	-1	0	297.292	0.949	20	30		CCEDRM
N#CCC1(CS(=O)(=O)N[C@@H]2CC=C(C(=O)[O-])C2)CC1	ZINC000853068959	644071396	/nfs/dbraw/zinc/07/13/96/644071396.db2.gz	HQQZGVZFCNTWQC-SNVBAGLBSA-N	-1	0	284.337	0.773	20	30		CCEDRM
Cc1ccc(COCC(=O)[N-]S(=O)(=O)CCC#N)cc1	ZINC000857027492	644457217	/nfs/dbraw/zinc/45/72/17/644457217.db2.gz	RICUWLAFINHBSD-UHFFFAOYSA-N	-1	0	296.348	0.871	20	30		CCEDRM
C#C[C@@H](CCC)NC(=O)c1c[n-]n2c1nccc2=O	ZINC000857191011	644480586	/nfs/dbraw/zinc/48/05/86/644480586.db2.gz	GLPCSZNVPHKBQI-VIFPVBQESA-N	-1	0	258.281	0.554	20	30		CCEDRM
N#CCCCC(=O)[N-]S(=O)(=O)C1(C(F)F)CC1	ZINC000861159922	644863033	/nfs/dbraw/zinc/86/30/33/644863033.db2.gz	CERWDALTUKGXJW-UHFFFAOYSA-N	-1	0	266.269	0.924	20	30		CCEDRM
C=CCSCCNS(=O)(=O)N=S(C)(C)=O	ZINC000866647164	645559642	/nfs/dbraw/zinc/55/96/42/645559642.db2.gz	FAFLDMAXBFXYGE-UHFFFAOYSA-N	-1	0	272.417	0.468	20	30		CCEDRM
Cc1cc(F)cc(C#N)c1S(=O)(=O)[N-]N1CCCC1=O	ZINC000867593269	645636409	/nfs/dbraw/zinc/63/64/09/645636409.db2.gz	RLEYMVHGKXSVFU-UHFFFAOYSA-N	-1	0	297.311	0.822	20	30		CCEDRM
C[C@@H]1CCn2cc(C(=O)N[C@@H]3CCCN(O)C3=O)nc2C1	ZINC000868562463	645786558	/nfs/dbraw/zinc/78/65/58/645786558.db2.gz	FQOZZOZXOHPSFK-NXEZZACHSA-N	-1	0	292.339	0.575	20	30		CCEDRM
N#CC(C(=O)NC1CC1)=C([O-])c1cncc(N2CCCC2)n1	ZINC000870142287	645965089	/nfs/dbraw/zinc/96/50/89/645965089.db2.gz	IDORLMVEVNGUIF-NSHDSACASA-N	-1	0	299.334	0.678	20	30		CCEDRM
N#Cc1cccc(O[N-]C(=O)CN2CCOCC2)c1	ZINC000870691200	646017749	/nfs/dbraw/zinc/01/77/49/646017749.db2.gz	HCFQIOGVCAPOSY-UHFFFAOYSA-N	-1	0	261.281	0.300	20	30		CCEDRM
N#Cc1cccc(O[N-]C(=O)[C@H]2CCNC(=O)C2)c1	ZINC000870691201	646018172	/nfs/dbraw/zinc/01/81/72/646018172.db2.gz	HCTROWODHSNQKQ-JTQLQIEISA-N	-1	0	259.265	0.494	20	30		CCEDRM
N#Cc1c[n-]c(=O)n(C[C@@H]2C[C@H]3CCC[C@@H]3O2)c1=O	ZINC000871674637	646167385	/nfs/dbraw/zinc/16/73/85/646167385.db2.gz	FQABKSVEKJHTMB-MIMYLULJSA-N	-1	0	261.281	0.366	20	30		CCEDRM
C#Cc1ccc(CNC(=O)NCCOCC(=O)[O-])cc1	ZINC000874402619	646452963	/nfs/dbraw/zinc/45/29/63/646452963.db2.gz	WLROMOIKHPDGAS-UHFFFAOYSA-N	-1	0	276.292	0.568	20	30		CCEDRM
CC(=O)N(C)CC(=O)[N-]S(=O)(=O)c1ccc(C#N)cc1	ZINC000048503517	649322277	/nfs/dbraw/zinc/32/22/77/649322277.db2.gz	DDJQAJPZHAXUCZ-UHFFFAOYSA-N	-1	0	295.320	0.682	20	30		CCEDRM
CS(=O)(=O)[N-]C(=O)CCNC(=O)Cc1ccccc1	ZINC000048479585	649322291	/nfs/dbraw/zinc/32/22/91/649322291.db2.gz	QDDZRINMGWLVKU-UHFFFAOYSA-N	-1	0	284.337	0.652	20	30		CCEDRM
COCCOCCC(=O)[N-]S(=O)(=O)c1cccnc1	ZINC000049135147	649331053	/nfs/dbraw/zinc/33/10/53/649331053.db2.gz	FRORRNGSBCAIJK-UHFFFAOYSA-N	-1	0	288.325	0.780	20	30		CCEDRM
COCCNC(=O)C(C#N)=C([O-])c1ccc(OC)cc1	ZINC000193411163	649537199	/nfs/dbraw/zinc/53/71/99/649537199.db2.gz	NJHWHGAGXFHSLE-GFCCVEGCSA-N	-1	0	276.292	0.780	20	30		CCEDRM
CO[C@@H](C)CC(=O)[N-]S(=O)(=O)Cc1ccc(C#N)cc1	ZINC000195490526	649601836	/nfs/dbraw/zinc/60/18/36/649601836.db2.gz	DVSDXJTZWNFGEO-JTQLQIEISA-N	-1	0	296.348	0.929	20	30		CCEDRM
C#CC[C@H](NC(=O)[C@H](C(=O)[O-])C(C)C)C(=O)OC	ZINC001588389506	958008442	/nfs/dbraw/zinc/00/84/42/958008442.db2.gz	VWOJRBJCPZSKAW-DTWKUNHWSA-N	-1	0	255.270	0.024	20	30		CCEDRM
C#C[C@H](Oc1nc[n-]c(=O)c1Cl)C(=O)OCC	ZINC001230017324	805575966	/nfs/dbraw/zinc/57/59/66/805575966.db2.gz	KKQLLLQZIYVNTI-LURJTMIESA-N	-1	0	256.645	0.779	20	30		CCEDRM
CCOc1nc(OC(=O)[C@H](O)CC(=O)[O-])c(C#N)s1	ZINC001231091255	805727324	/nfs/dbraw/zinc/72/73/24/805727324.db2.gz	NOACYHDIDNJBOA-RXMQYKEDSA-N	-1	0	286.265	0.154	20	30		CCEDRM
C=CCOCCN1CC(N(C)C(=O)c2n[nH]c(C)c2[O-])C1	ZINC001277581219	805864363	/nfs/dbraw/zinc/86/43/63/805864363.db2.gz	YWXHWXYBJTWWJA-UHFFFAOYSA-N	-1	0	294.355	0.383	20	30		CCEDRM
CCOC(=O)c1cc(N[C@@H]2CO[N-]C2=O)ccc1C#N	ZINC001167522536	791509102	/nfs/dbraw/zinc/50/91/02/791509102.db2.gz	IBMURFXDABDWEO-LLVKDONJSA-N	-1	0	275.264	0.577	20	30		CCEDRM
N#CCC(=O)c1ccc(OC(=O)[C@H](O)CC(=O)[O-])cc1	ZINC001233527232	806074785	/nfs/dbraw/zinc/07/47/85/806074785.db2.gz	WTQXCVXZYVDUFI-LLVKDONJSA-N	-1	0	277.232	0.524	20	30		CCEDRM
C=CCC[C@H](CO)NC(=O)NC[C@H](CC)C(=O)[O-]	ZINC001121836496	799075645	/nfs/dbraw/zinc/07/56/45/799075645.db2.gz	QHOUZHNKBRSMJG-VHSXEESVSA-N	-1	0	258.318	0.724	20	30		CCEDRM
COCc1nocc1C([O-])=C(C#N)C(=O)NC1CC1	ZINC001122422732	799230216	/nfs/dbraw/zinc/23/02/16/799230216.db2.gz	JZQPZKQXLAIXON-QMMMGPOBSA-N	-1	0	263.253	0.422	20	30		CCEDRM
COc1c(C([O-])=C(C#N)c2nccn2C)cnn1C	ZINC001122609511	799273782	/nfs/dbraw/zinc/27/37/82/799273782.db2.gz	KWSKMWHTPWEZEY-QMMMGPOBSA-N	-1	0	259.269	0.652	20	30		CCEDRM
Cn1ccnc1C([O-])=C(C#N)C(=O)C[C@H]1CCOC1	ZINC001122715119	799288178	/nfs/dbraw/zinc/28/81/78/799288178.db2.gz	XNACCUFKXJPVHS-ZJUUUORDSA-N	-1	0	261.281	0.738	20	30		CCEDRM
Cn1ccc(C(=O)C(C#N)=C([O-])c2nccn2C)n1	ZINC001122729009	799291085	/nfs/dbraw/zinc/29/10/85/799291085.db2.gz	XBLYLUPZWRIGTC-QMMMGPOBSA-N	-1	0	257.253	0.359	20	30		CCEDRM
C#Cc1ccc(CNC(=O)c2c[n-]n3c2nccc3=O)cc1	ZINC001141042752	799974528	/nfs/dbraw/zinc/97/45/28/799974528.db2.gz	CPZQPOVXMRYBKG-UHFFFAOYSA-N	-1	0	292.298	0.934	20	30		CCEDRM
Nc1cc(F)ccc1C(=O)N[C@@H]1CCN(O)C1=O	ZINC001141380164	800003980	/nfs/dbraw/zinc/00/39/80/800003980.db2.gz	HYECQBUQDKBZHS-SECBINFHSA-N	-1	0	253.233	0.128	20	30		CCEDRM
C=C[C@@H](C)NC(=O)c1cc(S(N)(=O)=O)ccc1[O-]	ZINC001150695045	800360615	/nfs/dbraw/zinc/36/06/15/800360615.db2.gz	FDIJUKYJPNQYLC-SSDOTTSWSA-N	-1	0	270.310	0.344	20	30		CCEDRM
N#Cc1cnc(NC(=O)c2c[n-]c3cccnc3c2=O)cn1	ZINC001153854377	800679380	/nfs/dbraw/zinc/67/93/80/800679380.db2.gz	YJOIHLIJGDUJJU-UHFFFAOYSA-N	-1	0	292.258	0.837	20	30		CCEDRM
N#Cc1cnc(N[C@@H]2SC(=O)[N-]C2=O)c(F)c1	ZINC001155842905	801064435	/nfs/dbraw/zinc/06/44/35/801064435.db2.gz	NRTCYRIDMNFZCN-MRVPVSSYSA-N	-1	0	252.230	0.813	20	30		CCEDRM
C=C[C@H]1C[C@]1([N-]S(=O)(=O)C(F)F)C(=O)OCC	ZINC001259961238	808825518	/nfs/dbraw/zinc/82/55/18/808825518.db2.gz	BRUJAWRDHNONLD-IMTBSYHQSA-N	-1	0	269.269	0.636	20	30		CCEDRM
COc1nc(C)nc(N[C@@H]2SC(=O)[N-]C2=O)c1C#N	ZINC001163661725	802583383	/nfs/dbraw/zinc/58/33/83/802583383.db2.gz	CMJYIXMLXKHGSH-SECBINFHSA-N	-1	0	279.281	0.386	20	30		CCEDRM
C=C[C@H](C)[C@H](C)C(=O)NCCC[NH2+]Cc1n[nH]c(=O)[n-]1	ZINC001164221791	802690818	/nfs/dbraw/zinc/69/08/18/802690818.db2.gz	FEICPUFPZUJRLL-UWVGGRQHSA-N	-1	0	281.360	0.564	20	30		CCEDRM
N#Cc1cncc([N-]S(=O)(=O)c2cc(N)ccc2N)c1	ZINC001210088953	803637951	/nfs/dbraw/zinc/63/79/51/803637951.db2.gz	KDVINNRYKGYVCH-UHFFFAOYSA-N	-1	0	289.320	0.918	20	30		CCEDRM
N#Cc1cccc(C(=O)COC(=O)[C@H](O)CC(=O)[O-])c1	ZINC001210370047	803648580	/nfs/dbraw/zinc/64/85/80/803648580.db2.gz	ZPMDMHPDMNNXOH-SNVBAGLBSA-N	-1	0	277.232	0.120	20	30		CCEDRM
C=CCOC[C@@H](CS(=O)(=O)[O-])OCCCOC	ZINC001211347171	803677112	/nfs/dbraw/zinc/67/71/12/803677112.db2.gz	SBACVGGSLRGSKQ-JTQLQIEISA-N	-1	0	268.331	0.499	20	30		CCEDRM
N#Cc1nc(N)c(Nc2cnc(F)c(C(=O)[O-])c2)nc1C#N	ZINC001215103671	803776346	/nfs/dbraw/zinc/77/63/46/803776346.db2.gz	WKWYUPUMSLZVAZ-UHFFFAOYSA-N	-1	0	299.225	0.778	20	30		CCEDRM
C=CCOC[C@H](CS(=O)(=O)[O-])OCc1cc(C)on1	ZINC001222977218	804942703	/nfs/dbraw/zinc/94/27/03/804942703.db2.gz	HAVMUHBTQUMPBA-LLVKDONJSA-N	-1	0	291.325	0.959	20	30		CCEDRM
CN(C)C(=O)[C@@]12C[C@@H]1CCN2C(=O)c1ccc(C#N)cc1[O-]	ZINC001276864835	804954941	/nfs/dbraw/zinc/95/49/41/804954941.db2.gz	KOHAUDNPXAGGCO-MEDUHNTESA-N	-1	0	299.330	0.957	20	30		CCEDRM
CN(C)C(=O)[C@@H]1CC12CN(C(=O)c1ccc(C#N)cc1[O-])C2	ZINC001276864687	804955086	/nfs/dbraw/zinc/95/50/86/804955086.db2.gz	GEQVVBWAUUWEAJ-LBPRGKRZSA-N	-1	0	299.330	0.814	20	30		CCEDRM
C=CC(C)(C)C(=O)NC[C@H]1CCN1Cc1n[nH]c(=O)[n-]1	ZINC001276899199	804978858	/nfs/dbraw/zinc/97/88/58/804978858.db2.gz	NQDZSFVQSYVDJR-SECBINFHSA-N	-1	0	279.344	0.413	20	30		CCEDRM
C=CCOC[C@H](CS(=O)(=O)[O-])OCC[C@@H]1CCOC1	ZINC001224704712	805072204	/nfs/dbraw/zinc/07/22/04/805072204.db2.gz	ONLPGMRBQCNCKG-NWDGAFQWSA-N	-1	0	294.369	0.889	20	30		CCEDRM
C=C[C@H](OCCCC[P@@](=O)([O-])O)C(=O)OC	ZINC001225018557	805099718	/nfs/dbraw/zinc/09/97/18/805099718.db2.gz	AOQZYVNXPUPROG-QMMMGPOBSA-N	-1	0	252.203	0.689	20	30		CCEDRM
CC(C)(C)OC(=O)N1C[C@H](C#N)[C@@H](OCC(=O)[O-])C1	ZINC001225022576	805101750	/nfs/dbraw/zinc/10/17/50/805101750.db2.gz	QRMDWQPBWREPJS-IUCAKERBSA-N	-1	0	270.285	0.847	20	30		CCEDRM
CC[C@@H]1OC(C)=C(Oc2nc(C(=O)OC)cc(=O)[n-]2)C1=O	ZINC001225729656	805155870	/nfs/dbraw/zinc/15/58/70/805155870.db2.gz	CDLRXOYCTWWWIP-QMMMGPOBSA-N	-1	0	294.263	0.957	20	30		CCEDRM
C=CCOC[C@H](CS(=O)(=O)[O-])Oc1cccc(N)n1	ZINC001225754711	805158912	/nfs/dbraw/zinc/15/89/12/805158912.db2.gz	BANQUIKJMVJKKQ-SECBINFHSA-N	-1	0	288.325	0.502	20	30		CCEDRM
CN1[C@@H]2C[C@@H](Oc3[n-]c(=O)c(F)cc3C#N)C[C@H]1[C@@H]1O[C@@H]12	ZINC001226008573	805185719	/nfs/dbraw/zinc/18/57/19/805185719.db2.gz	JAJFGUOEVSMAQR-ZQLNZSQWSA-N	-1	0	291.282	0.789	20	30		CCEDRM
N#Cc1ccc(OC(=O)[C@H](O)CC(=O)[O-])c(F)c1F	ZINC001226017234	805187605	/nfs/dbraw/zinc/18/76/05/805187605.db2.gz	JXVHZYIFGAWBEW-ZCFIWIBFSA-N	-1	0	271.175	0.577	20	30		CCEDRM
Cc1cc(=O)[n-]c(OC2CS(=O)(=O)C2)c1C#N	ZINC001226222476	805206933	/nfs/dbraw/zinc/20/69/33/805206933.db2.gz	CUOVSBOPQNWXQN-UHFFFAOYSA-N	-1	0	254.267	0.143	20	30		CCEDRM
C#CC[C@@H](C)Oc1nc(=O)[n-]c(C(=O)OC)c1[N+](=O)[O-]	ZINC001226649010	805259526	/nfs/dbraw/zinc/25/95/26/805259526.db2.gz	IDGZLJVFEBKVPD-ZCFIWIBFSA-N	-1	0	281.224	0.668	20	30		CCEDRM
C=C1O[C@H](C)C(=O)C1Oc1[n-]c(=O)nc2nc[nH]c21	ZINC001227070262	805318351	/nfs/dbraw/zinc/31/83/51/805318351.db2.gz	MZPJGLOYDDCIBC-SCSAIBSYSA-N	-1	0	262.225	0.657	20	30		CCEDRM
N#Cc1cc(F)c(OC(=O)[C@@H](O)CC(=O)[O-])c(F)c1	ZINC001228075978	805412711	/nfs/dbraw/zinc/41/27/11/805412711.db2.gz	GKIXOGCGYBTKKS-QMMMGPOBSA-N	-1	0	271.175	0.577	20	30		CCEDRM
CC(=O)OCC(COC(C)=O)Oc1[n-]c(=O)ccc1C#N	ZINC001228902692	805488133	/nfs/dbraw/zinc/48/81/33/805488133.db2.gz	SUONDDIUQPYGOG-UHFFFAOYSA-N	-1	0	294.263	0.532	20	30		CCEDRM
N#Cc1nc(-c2cnn(CC(=O)[O-])c2)cc2nc[nH]c21	ZINC001242181773	806994288	/nfs/dbraw/zinc/99/42/88/806994288.db2.gz	JQIHSJFWQMSYLE-UHFFFAOYSA-N	-1	0	268.236	0.778	20	30		CCEDRM
C=C(C)c1cn(CCOCCOCCOCC(=O)[O-])nn1	ZINC001254083553	808179198	/nfs/dbraw/zinc/17/91/98/808179198.db2.gz	GZEHSUDDOOGQES-UHFFFAOYSA-N	-1	0	299.327	0.446	20	30		CCEDRM
N#Cc1cn(-c2cc3ccc([O-])cc3oc2=O)nn1	ZINC001254163561	808192460	/nfs/dbraw/zinc/19/24/60/808192460.db2.gz	DCTZKJJDMMUVKP-UHFFFAOYSA-N	-1	0	254.205	0.951	20	30		CCEDRM
COC(=O)CS(=O)(=O)[N-]c1cnc(C#N)c(C)c1	ZINC001259018354	808718711	/nfs/dbraw/zinc/71/87/11/808718711.db2.gz	HIWUACLBJNVFMH-UHFFFAOYSA-N	-1	0	269.282	0.176	20	30		CCEDRM
COC(=O)CS(=O)(=O)[N-]c1cc(C#N)ccc1F	ZINC001259025025	808722859	/nfs/dbraw/zinc/72/28/59/808722859.db2.gz	NCZBYSPJOYGHON-UHFFFAOYSA-N	-1	0	272.257	0.612	20	30		CCEDRM
COC(=O)CS(=O)(=O)[N-]c1ccc(O)cc1C#N	ZINC001259026396	808723679	/nfs/dbraw/zinc/72/36/79/808723679.db2.gz	SDKVHWQQSMAVQP-UHFFFAOYSA-N	-1	0	270.266	0.179	20	30		CCEDRM
C#Cc1ccc([N-]S(=O)(=O)c2cnn(C)c2)cn1	ZINC001259821756	808777228	/nfs/dbraw/zinc/77/72/28/808777228.db2.gz	OWBKZCDWPGDSAO-UHFFFAOYSA-N	-1	0	262.294	0.597	20	30		CCEDRM
Cn1cc(S(=O)(=O)[N-]c2cc(C#N)c(F)cc2O)cn1	ZINC001259827124	808778978	/nfs/dbraw/zinc/77/89/78/808778978.db2.gz	KFNDKBLFDHMKDM-UHFFFAOYSA-N	-1	0	296.283	0.937	20	30		CCEDRM
C=CCS(=O)(=O)[N-]c1nc(Cl)ccc1C(N)=O	ZINC001259922928	808805695	/nfs/dbraw/zinc/80/56/95/808805695.db2.gz	YLUXGTAOSSQWNJ-UHFFFAOYSA-N	-1	0	275.717	0.762	20	30		CCEDRM
Cc1ccnc(C#N)c1[N-]S(=O)(=O)c1ccn(C)n1	ZINC001259938385	808813498	/nfs/dbraw/zinc/81/34/98/808813498.db2.gz	OCFHIPMMUYSMLK-UHFFFAOYSA-N	-1	0	277.309	0.796	20	30		CCEDRM
N#Cc1cnnc(-c2ccccc2)c1[N-]S(N)(=O)=O	ZINC001260076135	808842331	/nfs/dbraw/zinc/84/23/31/808842331.db2.gz	XDMPWZGKCUNZLI-UHFFFAOYSA-N	-1	0	275.293	0.631	20	30		CCEDRM
Cc1nc(S(=O)(=O)[N-]c2cnn(C)c2C#N)cn1C	ZINC001260543385	808864008	/nfs/dbraw/zinc/86/40/08/808864008.db2.gz	UUAWYUKMQFGGMQ-UHFFFAOYSA-N	-1	0	280.313	0.135	20	30		CCEDRM
Cc1n[nH]c(C)c1S(=O)(=O)[N-]c1oncc1C#N	ZINC001261023583	808898112	/nfs/dbraw/zinc/89/81/12/808898112.db2.gz	OOUUCIKNWAICLO-UHFFFAOYSA-N	-1	0	267.270	0.687	20	30		CCEDRM
Cc1n[nH]c(C)c1S(=O)(=O)[N-]c1cnn(C)c1C#N	ZINC001261024051	808898195	/nfs/dbraw/zinc/89/81/95/808898195.db2.gz	LMNIJONCBOEXKC-UHFFFAOYSA-N	-1	0	280.313	0.433	20	30		CCEDRM
C#Cc1nccnc1[N-]S(=O)(=O)c1c(C)n[nH]c1C	ZINC001261023370	808898373	/nfs/dbraw/zinc/89/83/73/808898373.db2.gz	FGLCDNXZQMMICL-UHFFFAOYSA-N	-1	0	277.309	0.599	20	30		CCEDRM
Cc1nnc([S-])n(N=Cc2cccnc2N(C)C)c1=O	ZINC001261127919	808911075	/nfs/dbraw/zinc/91/10/75/808911075.db2.gz	BEZILRPXXSCPLA-UHFFFAOYSA-N	-1	0	290.352	0.579	20	30		CCEDRM
C#CCSCCNC(=O)N([C@@H](C)C(=O)[O-])C1CC1	ZINC000383572647	815643720	/nfs/dbraw/zinc/64/37/20/815643720.db2.gz	USAICAHZWULRLC-VIFPVBQESA-N	-1	0	270.354	1.000	20	30		CCEDRM
CC[C@@H](CNS(=O)(=O)c1ccc(C#N)nc1)C(=O)[O-]	ZINC000159651577	815263792	/nfs/dbraw/zinc/26/37/92/815263792.db2.gz	GAECRNHPOMJVLA-QMMMGPOBSA-N	-1	0	283.309	0.342	20	30		CCEDRM
C=C[C@H](COC)NS(=O)(=O)c1csc(C(=O)[O-])c1	ZINC001262496962	809321246	/nfs/dbraw/zinc/32/12/46/809321246.db2.gz	UDMMGDMTKCCHEE-SSDOTTSWSA-N	-1	0	291.350	0.926	20	30		CCEDRM
C/C=C(/C)C(=O)N1CC(n2cc(C#N)c(=O)[n-]c2=O)C1	ZINC001262661479	809388054	/nfs/dbraw/zinc/38/80/54/809388054.db2.gz	HDPGWELWZKKQNR-BAQGIRSFSA-N	-1	0	274.280	0.170	20	30		CCEDRM
C#CC[C@@H]1CCN(C(=O)NCC2(C(=O)[O-])CCOCC2)C1	ZINC001263064287	809431263	/nfs/dbraw/zinc/43/12/63/809431263.db2.gz	WKTAVNYGXXREQB-GFCCVEGCSA-N	-1	0	294.351	0.923	20	30		CCEDRM
COc1cc(C([O-])=C(C#N)c2nccn2C)nn1C	ZINC001263332640	809511998	/nfs/dbraw/zinc/51/19/98/809511998.db2.gz	VEYCZZFKTISVEO-MRVPVSSYSA-N	-1	0	259.269	0.652	20	30		CCEDRM
C=CCN(C)c1nnc(Cc2nn[nH]n2)n1CC1CC1	ZINC001263669719	809551122	/nfs/dbraw/zinc/55/11/22/809551122.db2.gz	YIYBRVQWQBYZAH-UHFFFAOYSA-N	-1	0	274.332	0.414	20	30		CCEDRM
C=CCCC(=O)N[C@H]1CCN(Cc2n[nH]c(=O)[n-]2)C1	ZINC001267722315	811687005	/nfs/dbraw/zinc/68/70/05/811687005.db2.gz	DNFYEUMCUJUETP-VIFPVBQESA-N	-1	0	265.317	0.167	20	30		CCEDRM
C=C[C@H](CC)CC(=O)N[C@H]1CCN(Cc2n[nH]c(=O)[n-]2)C1	ZINC001267729370	811698237	/nfs/dbraw/zinc/69/82/37/811698237.db2.gz	UBNSRBBDFXKHGW-MNOVXSKESA-N	-1	0	293.371	0.803	20	30		CCEDRM
C#CCO[N-]C(=O)CNC(=O)c1ccc(C)s1	ZINC000700602016	811755443	/nfs/dbraw/zinc/75/54/43/811755443.db2.gz	KAMBYOPHVIGSKP-UHFFFAOYSA-N	-1	0	252.295	0.467	20	30		CCEDRM
C=CCN(CC(=O)[O-])C(=O)NC[C@@]1(C)CCOC1	ZINC000397132824	811841752	/nfs/dbraw/zinc/84/17/52/811841752.db2.gz	XBBAJCQEXGUYJM-GFCCVEGCSA-N	-1	0	256.302	0.695	20	30		CCEDRM
COc1cccc(S([O-])=CC(=O)NCCC#N)c1	ZINC000424842380	812218653	/nfs/dbraw/zinc/21/86/53/812218653.db2.gz	AXEBVRFENJMDPB-SFHVURJKSA-N	-1	0	266.322	0.833	20	30		CCEDRM
Cc1[nH]nc(C(=O)N2CCC(CNCC#N)CC2)c1[O-]	ZINC001204981746	814126638	/nfs/dbraw/zinc/12/66/38/814126638.db2.gz	VTRRRSRIPGGXBW-UHFFFAOYSA-N	-1	0	277.328	0.389	20	30		CCEDRM
Cc1[nH]nc(C(=O)N2CC[C@@H]([C@@H](C)NCC#N)C2)c1[O-]	ZINC001271482574	814460032	/nfs/dbraw/zinc/46/00/32/814460032.db2.gz	OYIXHTWCHUOOIF-PSASIEDQSA-N	-1	0	277.328	0.388	20	30		CCEDRM
C=CCOC[C@@H](CS(=O)(=O)[O-])OCCSC	ZINC001225035267	815924123	/nfs/dbraw/zinc/92/41/23/815924123.db2.gz	FBCOQCRRMYHTSX-VIFPVBQESA-N	-1	0	270.372	0.825	20	30		CCEDRM
CC[C@@H](C#CC(=O)OC)Oc1c(=O)[nH]cnc1C(=O)OC	ZINC001233758799	816402652	/nfs/dbraw/zinc/40/26/52/816402652.db2.gz	DAIYUZMDINQOMR-QMMMGPOBSA-N	-1	0	294.263	0.303	20	30		CCEDRM
CC#CCN1C[C@@H]2C[C@H]1CN2C(=O)c1n[nH]c(C)c1[O-]	ZINC001032359417	817983996	/nfs/dbraw/zinc/98/39/96/817983996.db2.gz	VGOWQJJXWJHPEZ-QWRGUYRKSA-N	-1	0	274.324	0.346	20	30		CCEDRM
C#CCC[N@H+]1CC[C@@H](N(C)C(=O)c2n[nH]c(C)c2[O-])C1	ZINC001033011303	818420459	/nfs/dbraw/zinc/42/04/59/818420459.db2.gz	ATLANFBYVQFCSJ-LLVKDONJSA-N	-1	0	276.340	0.593	20	30		CCEDRM
C#CCC[N@H+]1CC[C@H](N(C)C(=O)c2n[nH]c(C)c2[O-])C1	ZINC001033011306	818421184	/nfs/dbraw/zinc/42/11/84/818421184.db2.gz	ATLANFBYVQFCSJ-NSHDSACASA-N	-1	0	276.340	0.593	20	30		CCEDRM
COc1ccc(CC(=O)[O-])cc1S(=O)(=O)NCCC#N	ZINC000447143557	818465566	/nfs/dbraw/zinc/46/55/66/818465566.db2.gz	CKQBBPHCHBXZNT-UHFFFAOYSA-N	-1	0	298.320	0.514	20	30		CCEDRM
CNC(=O)C(C#N)=C([O-])c1ccn(-c2ccccc2)n1	ZINC000133555483	818686231	/nfs/dbraw/zinc/68/62/31/818686231.db2.gz	GXBCRXBFBBJAMC-NSHDSACASA-N	-1	0	268.276	0.941	20	30		CCEDRM
CN(C)c1nc(NC(=O)CCC#N)c(N=O)c(=O)[n-]1	ZINC001143189593	818957706	/nfs/dbraw/zinc/95/77/06/818957706.db2.gz	RXGWBHJQFUIYJO-UHFFFAOYSA-N	-1	0	264.245	0.888	20	30		CCEDRM
C#CC[C@H](NC(=O)[C@H]1CC12CCOCC2)C(=O)[O-]	ZINC000709667886	819794979	/nfs/dbraw/zinc/79/49/79/819794979.db2.gz	QBXBCYCPFGPNCM-ZJUUUORDSA-N	-1	0	251.282	0.396	20	30		CCEDRM
Cc1nc(C#N)c(-n2[n-]c([C@H]3CCOC3)cc2=O)o1	ZINC001119064790	821045798	/nfs/dbraw/zinc/04/57/98/821045798.db2.gz	BKVMMNLQLXGINR-QMMMGPOBSA-N	-1	0	260.253	0.984	20	30		CCEDRM
N#Cc1cnc(N[C@H]2SC(=O)[N-]C2=O)c(C#N)c1	ZINC001155838008	822258630	/nfs/dbraw/zinc/25/86/30/822258630.db2.gz	VHUDHDCORKAWQU-VIFPVBQESA-N	-1	0	259.250	0.546	20	30		CCEDRM
N#CC1(CS(=O)(=O)[N-]C(=O)[C@H]2C[C@@H]2C2CC2)CC1	ZINC000793203779	837407241	/nfs/dbraw/zinc/40/72/41/837407241.db2.gz	GYIHVCRBXAJLLL-ZJUUUORDSA-N	-1	0	268.338	0.782	20	30		CCEDRM
COC(=O)n1ncc(C#N)c1[N-]c1ncc2c(n1)NC(=O)C2	ZINC001169961809	836489909	/nfs/dbraw/zinc/48/99/09/836489909.db2.gz	ATWVZLMTQJYGLG-UHFFFAOYSA-N	-1	0	299.250	0.397	20	30		CCEDRM
N#Cc1c(N)nn(C(=O)CCC(=O)C2=CC=C[CH]2)c1N	ZINC001184240842	844186259	/nfs/dbraw/zinc/18/62/59/844186259.db2.gz	FSGOEWLZUHVLKU-UHFFFAOYSA-N	-1	0	270.272	0.609	20	30		CCEDRM
C[C@@H]1CN(C(=O)c2cnc[nH]c2=O)CC[C@H]1CNCC#N	ZINC001184629537	844269719	/nfs/dbraw/zinc/26/97/19/844269719.db2.gz	HZUWDSPLZWLDDD-MNOVXSKESA-N	-1	0	289.339	0.394	20	30		CCEDRM
N#C[C@@H](Nc1ccc(C(=O)[O-])c([N+](=O)[O-])c1)C(N)=O	ZINC001170543134	838008436	/nfs/dbraw/zinc/00/84/36/838008436.db2.gz	WAYIPLKBTKCTIL-SSDOTTSWSA-N	-1	0	264.197	0.082	20	30		CCEDRM
C#Cc1ccc(NC(=O)Cn2[n-]cc3c(=O)ncnc2-3)cc1	ZINC001134904119	839109288	/nfs/dbraw/zinc/10/92/88/839109288.db2.gz	KSYUEXKYBWJGLD-UHFFFAOYSA-N	-1	0	293.286	0.691	20	30		CCEDRM
CC1(C#N)CN(C(=O)c2cc(S(=O)(=O)[O-])ccc2O)C1	ZINC001148915172	840901762	/nfs/dbraw/zinc/90/17/62/840901762.db2.gz	KDQRZNZMOWQHKZ-UHFFFAOYSA-N	-1	0	296.304	0.625	20	30		CCEDRM
C=CCCNC(=S)N[C@@H](CCC(=O)[O-])C(=O)OC	ZINC001247669356	841156400	/nfs/dbraw/zinc/15/64/00/841156400.db2.gz	ZHPCPOUASLSAIX-QMMMGPOBSA-N	-1	0	274.342	0.433	20	30		CCEDRM
N#Cc1cnc2ccnn2c1Nc1cnn(CC(=O)[O-])c1	ZINC001176265104	842345435	/nfs/dbraw/zinc/34/54/35/842345435.db2.gz	XFNUJKFFZZJOPU-UHFFFAOYSA-N	-1	0	283.251	0.626	20	30		CCEDRM
Cn1ccc(C(=O)Nc2nnccc2C#N)c1CC(=O)[O-]	ZINC001177363777	842565685	/nfs/dbraw/zinc/56/56/85/842565685.db2.gz	QCWXMAPLKHLRMR-UHFFFAOYSA-N	-1	0	285.263	0.566	20	30		CCEDRM
C=CCOC[C@H](CS(=O)(=O)[O-])O[C@@H](C)C(=O)OCC	ZINC001204260547	843101458	/nfs/dbraw/zinc/10/14/58/843101458.db2.gz	QZMYGZDMBGJSGA-VHSXEESVSA-N	-1	0	296.341	0.414	20	30		CCEDRM
N=C(c1nonc1N)N(O)C(=O)C1(C(=O)[O-])CCCCC1	ZINC001180434640	843165588	/nfs/dbraw/zinc/16/55/88/843165588.db2.gz	ONIOBEDFEAEQEQ-UHFFFAOYSA-N	-1	0	297.271	0.230	20	30		CCEDRM
CCOCCS(=O)(=O)[N-]c1cc(F)cnc1C#N	ZINC001187256186	844690272	/nfs/dbraw/zinc/69/02/72/844690272.db2.gz	ARYBZPVUDRWTAM-UHFFFAOYSA-N	-1	0	273.289	0.871	20	30		CCEDRM
C#C[C@@H](C)N(C)S(=O)(=O)c1ccc([O-])c([N+](=O)[O-])c1	ZINC001189795146	845210782	/nfs/dbraw/zinc/21/07/82/845210782.db2.gz	XFNRNXWWHKQCOR-MRVPVSSYSA-N	-1	0	284.293	0.943	20	30		CCEDRM
COc1nc(S(=O)(=O)[N-]c2oncc2C#N)ccc1F	ZINC001190064040	845318658	/nfs/dbraw/zinc/31/86/58/845318658.db2.gz	XKYIXXOBIVMSEB-UHFFFAOYSA-N	-1	0	298.255	0.890	20	30		CCEDRM
C#Cc1nccnc1[N-]S(=O)(=O)c1ncc(F)cc1F	ZINC001190141348	845330479	/nfs/dbraw/zinc/33/04/79/845330479.db2.gz	MHRJIAZRXSXPCS-UHFFFAOYSA-N	-1	0	296.258	0.932	20	30		CCEDRM
Cn1cnc([N-]S(=O)(=O)c2ncc(F)cc2F)c1C#N	ZINC001190141768	845330501	/nfs/dbraw/zinc/33/05/01/845330501.db2.gz	DIGRJQLCLVRYIE-UHFFFAOYSA-N	-1	0	299.262	0.766	20	30		CCEDRM
Cc1nc(C#N)ccc1[N-]S(=O)(=O)c1ncc[nH]1	ZINC001190690132	845465796	/nfs/dbraw/zinc/46/57/96/845465796.db2.gz	GTJLZDXDRYNDBA-UHFFFAOYSA-N	-1	0	263.282	0.786	20	30		CCEDRM
Cc1nc(C#N)c([N-]S(=O)(=O)c2ncc[nH]2)o1	ZINC001190690996	845467499	/nfs/dbraw/zinc/46/74/99/845467499.db2.gz	SZFQNRMZRUVWBZ-UHFFFAOYSA-N	-1	0	253.243	0.379	20	30		CCEDRM
N#Cc1ccccc1COC(=O)[C@H](O)CCC(=O)[O-]	ZINC001205579320	845792561	/nfs/dbraw/zinc/79/25/61/845792561.db2.gz	JNXTZUSDACSWHA-LLVKDONJSA-N	-1	0	263.249	0.827	20	30		CCEDRM
N#Cc1c(N)nn(C(=O)c2ccc([O-])c(F)c2F)c1N	ZINC001192828362	845917895	/nfs/dbraw/zinc/91/78/95/845917895.db2.gz	RHKCPFOQSHXMSA-UHFFFAOYSA-N	-1	0	279.206	0.591	20	30		CCEDRM
Cc1cc(C)c(C(N)=O)c([N-]S(=O)(=O)CC#N)n1	ZINC001192935101	845940653	/nfs/dbraw/zinc/94/06/53/845940653.db2.gz	ITTNXVVMNMQVJD-UHFFFAOYSA-N	-1	0	268.298	0.063	20	30		CCEDRM
COC(=O)c1scc(C#N)c1[N-]S(=O)(=O)CC#N	ZINC001192939116	845943034	/nfs/dbraw/zinc/94/30/34/845943034.db2.gz	LDHINYSBVGJQHJ-UHFFFAOYSA-N	-1	0	285.306	0.672	20	30		CCEDRM
N#CCS(=O)(=O)[N-]c1ccc2c(c1)C(=O)OC2	ZINC001192972020	845957182	/nfs/dbraw/zinc/95/71/82/845957182.db2.gz	FPCBXAQXUMFEJF-UHFFFAOYSA-N	-1	0	252.251	0.622	20	30		CCEDRM
N#CCS(=O)(=O)[N-]c1ccc2c(c1)[nH]c(=O)[nH]c2=O	ZINC001192980083	845962445	/nfs/dbraw/zinc/96/24/45/845962445.db2.gz	BORYJOQIGWHSJE-UHFFFAOYSA-N	-1	0	280.265	0.306	20	30		CCEDRM
CNC(=O)c1ccc([N-]S(=O)(=O)[C@@H](C)C#N)cc1	ZINC001193097747	845976381	/nfs/dbraw/zinc/97/63/81/845976381.db2.gz	RITWFNZOMMEJEK-QMMMGPOBSA-N	-1	0	267.310	0.700	20	30		CCEDRM
C[C@@H](C#N)S(=O)(=O)[N-]c1sc2c(c1C(N)=O)CCC2	ZINC001193104521	845978276	/nfs/dbraw/zinc/97/82/76/845978276.db2.gz	KDFASTZDQWYIGS-LURJTMIESA-N	-1	0	299.377	0.989	20	30		CCEDRM
COC(=O)c1ccncc1[N-]S(=O)(=O)[C@H](C)C#N	ZINC001193104092	845978594	/nfs/dbraw/zinc/97/85/94/845978594.db2.gz	FUJAPVVGCQAZRY-SSDOTTSWSA-N	-1	0	269.282	0.522	20	30		CCEDRM
C[C@@H](C#N)S(=O)(=O)[N-]c1cc2n(n1)CC1(CC1)CO2	ZINC001193111092	845980916	/nfs/dbraw/zinc/98/09/16/845980916.db2.gz	CAVWUJIBPFNBBM-QMMMGPOBSA-N	-1	0	282.325	0.709	20	30		CCEDRM
CSc1nc([N-]S(=O)(=O)[C@H](C)C#N)cc(=O)n1C	ZINC001193172595	845994930	/nfs/dbraw/zinc/99/49/30/845994930.db2.gz	DROPKBROXZBZGM-ZCFIWIBFSA-N	-1	0	288.354	0.156	20	30		CCEDRM
C[C@H](C#N)S(=O)(=O)[N-]c1ccc2c(c1)CCNC2=O	ZINC001193151982	846006313	/nfs/dbraw/zinc/00/63/13/846006313.db2.gz	XZMXNXUNYMGNGP-MRVPVSSYSA-N	-1	0	279.321	0.626	20	30		CCEDRM
N#Cc1cccc(C(=O)Nc2cnc(N)cn2)c1[O-]	ZINC001193642468	846135192	/nfs/dbraw/zinc/13/51/92/846135192.db2.gz	GANUIAYSAZCPJJ-UHFFFAOYSA-N	-1	0	255.237	0.888	20	30		CCEDRM
COC(=O)[C@H](CS)NC(=O)c1ccc(F)c([O-])c1F	ZINC001193793166	846153407	/nfs/dbraw/zinc/15/34/07/846153407.db2.gz	LAGAYAYJYFAYHI-ZETCQYMHSA-N	-1	0	291.275	0.872	20	30		CCEDRM
Cn1[n-]c(C(=O)NCc2ccc(C#N)nc2)cc1=O	ZINC001194210938	846241694	/nfs/dbraw/zinc/24/16/94/846241694.db2.gz	KBDWXDPQYSMGKV-UHFFFAOYSA-N	-1	0	257.253	0.322	20	30		CCEDRM
C#Cc1nccnc1[N-]S(=O)(=O)c1cccnc1OC	ZINC001194676617	846356097	/nfs/dbraw/zinc/35/60/97/846356097.db2.gz	NUCJQQWISJMXBA-UHFFFAOYSA-N	-1	0	290.304	0.662	20	30		CCEDRM
CC1(C)C(=O)NCCN1C(=O)c1ccc(C#N)cc1[O-]	ZINC001195740702	846619952	/nfs/dbraw/zinc/61/99/52/846619952.db2.gz	DBPQCFGZURKEJH-UHFFFAOYSA-N	-1	0	273.292	0.614	20	30		CCEDRM
CCOC(=O)CS(=O)(=O)[N-]c1cncc(C#N)c1	ZINC001195934509	846653553	/nfs/dbraw/zinc/65/35/53/846653553.db2.gz	USYSKJYWUYPXNE-UHFFFAOYSA-N	-1	0	269.282	0.258	20	30		CCEDRM
N#C[C@@H]1CN(C(=O)c2cc(Cl)ncc2[O-])CCO1	ZINC001196396551	846742213	/nfs/dbraw/zinc/74/22/13/846742213.db2.gz	VAFXJQHNGIBXOF-SSDOTTSWSA-N	-1	0	267.672	0.805	20	30		CCEDRM
C#C[C@H](C)NC(=O)c1sccc1[N-]S(C)(=O)=O	ZINC001196740500	846796290	/nfs/dbraw/zinc/79/62/90/846796290.db2.gz	YEMMSJAUPVURGN-ZETCQYMHSA-N	-1	0	272.351	0.871	20	30		CCEDRM
CCc1cc(C(=O)NCc2nnn[n-]2)ccc1C#N	ZINC001197292603	846894298	/nfs/dbraw/zinc/89/42/98/846894298.db2.gz	REFYKHQTXOIMMF-UHFFFAOYSA-N	-1	0	256.269	0.564	20	30		CCEDRM
Cc1ccc(S(=O)(=O)[N-]c2ncn(C)c2C#N)cn1	ZINC001198276906	847077901	/nfs/dbraw/zinc/07/79/01/847077901.db2.gz	XYOKYLWAVMUZDM-UHFFFAOYSA-N	-1	0	277.309	0.796	20	30		CCEDRM
N#Cc1cc(C(=O)N2CCC3(C[C@H]3C(N)=O)CC2)ccc1[O-]	ZINC001276156523	848942378	/nfs/dbraw/zinc/94/23/78/848942378.db2.gz	UOKMEACXZJOAFP-LBPRGKRZSA-N	-1	0	299.330	0.991	20	30		CCEDRM
N#CC1(C(=O)N2CCC(c3nnn[n-]3)CC2)CCC1	ZINC000720446309	849464110	/nfs/dbraw/zinc/46/41/10/849464110.db2.gz	VXAVOPAPSUUDJN-UHFFFAOYSA-N	-1	0	260.301	0.600	20	30		CCEDRM
N#Cc1ccc(C(=O)N2CCC[C@@H](c3nnn[n-]3)C2)o1	ZINC000720462234	849465208	/nfs/dbraw/zinc/46/52/08/849465208.db2.gz	IQWIGCQXGRLPKF-MRVPVSSYSA-N	-1	0	272.268	0.684	20	30		CCEDRM
CNC(=O)C(C#N)=C([O-])c1ccc(-n2cccn2)cc1	ZINC000133298135	853833122	/nfs/dbraw/zinc/83/31/22/853833122.db2.gz	CUGSCQXIXGJUFG-LBPRGKRZSA-N	-1	0	268.276	0.941	20	30		CCEDRM
C#CC[C@H](NC(=O)CCn1nc(C)cc1C)C(=O)[O-]	ZINC000149653064	853991246	/nfs/dbraw/zinc/99/12/46/853991246.db2.gz	JHTKKSVYKNFKEN-NSHDSACASA-N	-1	0	263.297	0.483	20	30		CCEDRM
C#CC[C@@H](NC(=O)[C@@H]1CCCN1C(=O)C(C)(C)C)C(=O)[O-]	ZINC000149754238	853995975	/nfs/dbraw/zinc/99/59/75/853995975.db2.gz	KYWZWEWWBDHXOD-MNOVXSKESA-N	-1	0	294.351	0.616	20	30		CCEDRM
C#CC[C@H](NC(=O)c1ccc2c(c1)OCCO2)C(=O)[O-]	ZINC000149881095	854007517	/nfs/dbraw/zinc/00/75/17/854007517.db2.gz	UWJQDERKIWYGJJ-JTQLQIEISA-N	-1	0	275.260	0.664	20	30		CCEDRM
Cc1nnc([S-])n(N=Cc2ccc(O)c(O)c2O)c1=O	ZINC001115832737	855698653	/nfs/dbraw/zinc/69/86/53/855698653.db2.gz	HPRUNYPZJFPXPZ-UHFFFAOYSA-N	-1	0	294.292	0.234	20	30		CCEDRM
C=CC[C@@H](NC(=O)CCn1cc([N+](=O)[O-])cn1)C(=O)[O-]	ZINC001116921925	855867948	/nfs/dbraw/zinc/86/79/48/855867948.db2.gz	JXMYJHRUGYJPQN-SECBINFHSA-N	-1	0	282.256	0.327	20	30		CCEDRM
C#C[C@H]1CC[C@H](NC(=O)C(=O)[N-]OC2CCOCC2)CC1	ZINC001119291056	856615106	/nfs/dbraw/zinc/61/51/06/856615106.db2.gz	JKNGLRMYRDQCAA-HAQNSBGRSA-N	-1	0	294.351	0.521	20	30		CCEDRM
C=CCN(C(=O)C(=O)N[C@H]1C[C@H](C(=O)[O-])C1)C(C)C	ZINC001119341348	856642648	/nfs/dbraw/zinc/64/26/48/856642648.db2.gz	QAHVYYYYYNPKPC-MGCOHNPYSA-N	-1	0	268.313	0.389	20	30		CCEDRM
C=CC[C@H](NC(=O)[C@H](C)Oc1cccnc1)C(=O)[O-]	ZINC001119580611	856752851	/nfs/dbraw/zinc/75/28/51/856752851.db2.gz	OIDMPAUDFTYJTA-ONGXEEELSA-N	-1	0	264.281	0.994	20	30		CCEDRM
C=CC[C@H](NC(=O)[C@@H](C)Oc1cccnc1)C(=O)[O-]	ZINC001119580607	856753434	/nfs/dbraw/zinc/75/34/34/856753434.db2.gz	OIDMPAUDFTYJTA-KOLCDFICSA-N	-1	0	264.281	0.994	20	30		CCEDRM
C=C(C)C[C@H](NC(=O)CO[C@H]1CCOC1)C(=O)[O-]	ZINC001119583848	856754205	/nfs/dbraw/zinc/75/42/05/856754205.db2.gz	PXYKQWOEFZNFFN-UWVGGRQHSA-N	-1	0	257.286	0.328	20	30		CCEDRM
C=CCN(C)C(=O)c1ncoc1COCC(=O)[O-]	ZINC001119601973	856770678	/nfs/dbraw/zinc/77/06/78/856770678.db2.gz	IGOVIDSDENMUQQ-UHFFFAOYSA-N	-1	0	254.242	0.534	20	30		CCEDRM
C=CC[C@@H](NC(=O)[C@@H](C)Oc1ccccn1)C(=O)[O-]	ZINC001119643959	856803766	/nfs/dbraw/zinc/80/37/66/856803766.db2.gz	HBEXHSLMJHPCNI-NXEZZACHSA-N	-1	0	264.281	0.994	20	30		CCEDRM
C=CC[C@@H](NC(=O)c1nn(CC)nc1C)C(=O)[O-]	ZINC001119645544	856806212	/nfs/dbraw/zinc/80/62/12/856806212.db2.gz	VPWRGNWAMZMNTI-MRVPVSSYSA-N	-1	0	252.274	0.366	20	30		CCEDRM
C=CCOC[C@H](NC(=O)c1ccn(CC)n1)C(=O)[O-]	ZINC001119645631	856807161	/nfs/dbraw/zinc/80/71/61/856807161.db2.gz	WUAIIMSYSJLZBU-JTQLQIEISA-N	-1	0	267.285	0.289	20	30		CCEDRM
C=CCCC[C@H](C)NC(=O)C(=O)[N-]OC[C@H]1CCOC1	ZINC001323547648	912402009	/nfs/dbraw/zinc/40/20/09/912402009.db2.gz	FINDURQWKZTBHU-RYUDHWBXSA-N	-1	0	284.356	0.932	20	30		CCEDRM
C=CCOC[C@@H](CS(=O)(=O)[O-])OCC1COC1	ZINC001224746472	895228722	/nfs/dbraw/zinc/22/87/22/895228722.db2.gz	OYXBITRVYGAKFF-JTQLQIEISA-N	-1	0	266.315	0.108	20	30		CCEDRM
C=C[C@H](C)O[N-]C(=O)C(=O)Nc1cnc(C)nc1	ZINC001326534001	914004466	/nfs/dbraw/zinc/00/44/66/914004466.db2.gz	HBVLCGJCSNRVNN-ZETCQYMHSA-N	-1	0	250.258	0.346	20	30		CCEDRM
C=CCC[C@@H](NC(=O)[C@H]1CSCN1C(C)=O)C(=O)[O-]	ZINC000448994191	897568023	/nfs/dbraw/zinc/56/80/23/897568023.db2.gz	NWIGUENRIQTARR-NXEZZACHSA-N	-1	0	286.353	0.443	20	30		CCEDRM
C=CC[C@H](NC(=O)CCCc1nc(C)no1)C(=O)[O-]	ZINC001327013602	914313285	/nfs/dbraw/zinc/31/32/85/914313285.db2.gz	MBUBYOKECNHMBT-VIFPVBQESA-N	-1	0	267.285	0.846	20	30		CCEDRM
C=CCS(=O)(=O)[N-]C(=O)Cc1c[nH]c2cnccc12	ZINC001324266891	899642682	/nfs/dbraw/zinc/64/26/82/899642682.db2.gz	SSTHKORHKOQVIE-UHFFFAOYSA-N	-1	0	279.321	0.737	20	30		CCEDRM
CCOC(=O)c1nnsc1[N-]S(=O)(=O)[C@H](C)C#N	ZINC001193106427	900031271	/nfs/dbraw/zinc/03/12/71/900031271.db2.gz	FVNULPLGEPTMKE-RXMQYKEDSA-N	-1	0	290.326	0.369	20	30		CCEDRM
COC(=O)c1ccc(OC)c([N-]S(=O)(=O)[C@H](C)C#N)n1	ZINC001193106749	900031741	/nfs/dbraw/zinc/03/17/41/900031741.db2.gz	JNGSPGQUZCDHEK-SSDOTTSWSA-N	-1	0	299.308	0.531	20	30		CCEDRM
Cc1cc(C#N)c(=O)[n-]c1C(=O)N1CC[C@@H]2CC[C@@H](O)[C@@H]21	ZINC001412431095	901716595	/nfs/dbraw/zinc/71/65/95/901716595.db2.gz	UNFOMNHTNWEZGA-UFGOTCBOSA-N	-1	0	287.319	0.953	20	30		CCEDRM
CC[C@@H](C)[C@H](C)NC(=O)CCn1cc(C#N)c(=O)[n-]c1=O	ZINC001412577020	901838890	/nfs/dbraw/zinc/83/88/90/901838890.db2.gz	NYUVSWJHRCYCPE-ZJUUUORDSA-N	-1	0	292.339	0.761	20	30		CCEDRM
COc1nn(C)cc1NC(=O)c1[n-]c(=O)c(C#N)cc1C	ZINC001412924089	902362774	/nfs/dbraw/zinc/36/27/74/902362774.db2.gz	QFULQXBOTBJEHH-UHFFFAOYSA-N	-1	0	287.279	0.962	20	30		CCEDRM
CCC(CC)(NC(=O)c1ccc(C#N)[nH]1)c1nnn[n-]1	ZINC001412934541	902375148	/nfs/dbraw/zinc/37/51/48/902375148.db2.gz	JKJRIPSSDLNXIP-UHFFFAOYSA-N	-1	0	273.300	0.845	20	30		CCEDRM
COC(=O)N(C)CCNC(=O)c1[n-]c(=O)c(C#N)cc1C	ZINC001413269254	902828574	/nfs/dbraw/zinc/82/85/74/902828574.db2.gz	JBIOCFMLKZFJJR-UHFFFAOYSA-N	-1	0	292.295	0.395	20	30		CCEDRM
C=CCOC[C@@H](NCc1c(C)cnn1C)C(=O)[O-]	ZINC001331964195	904035001	/nfs/dbraw/zinc/03/50/01/904035001.db2.gz	WATYXJURRKLFIK-SNVBAGLBSA-N	-1	0	253.302	0.474	20	30		CCEDRM
C#CCCN1CCN(C(=O)CCCCC(=O)[O-])CC1	ZINC001332652654	904555301	/nfs/dbraw/zinc/55/53/01/904555301.db2.gz	GLRYZMKRTGQHHK-UHFFFAOYSA-N	-1	0	266.341	0.799	20	30		CCEDRM
C=CCC[C@@H](NC(=O)CO[C@@H]1CCOC1)C(=O)[O-]	ZINC001333334555	905944438	/nfs/dbraw/zinc/94/44/38/905944438.db2.gz	LDKDFQDYRAODCQ-NXEZZACHSA-N	-1	0	257.286	0.328	20	30		CCEDRM
O=C([O-])c1ccccc1C=NNC1CCS(=O)(=O)CC1	ZINC001337313368	921233832	/nfs/dbraw/zinc/23/38/32/921233832.db2.gz	YQJUXAILEXFYAX-UHFFFAOYSA-N	-1	0	296.348	0.886	20	30		CCEDRM
C#Cc1ccc(NC(=O)C(=O)[N-]OC2CCOCC2)cc1	ZINC001337916646	921302431	/nfs/dbraw/zinc/30/24/31/921302431.db2.gz	MLTLPTNMODVXGG-UHFFFAOYSA-N	-1	0	288.303	0.833	20	30		CCEDRM
CN(C[C@H]1CC1(C)C)c1[n-]c(=O)n(C)c(=O)c1C#N	ZINC001338043636	921349718	/nfs/dbraw/zinc/34/97/18/921349718.db2.gz	UARLWNQJQGSCMN-MRVPVSSYSA-N	-1	0	262.313	0.428	20	30		CCEDRM
CC#CCS(=O)(=O)[N-]C(=O)C[C@@H]1CCC2(CCC2)O1	ZINC001338060211	921354128	/nfs/dbraw/zinc/35/41/28/921354128.db2.gz	WJHVBCVUZBRAGF-NSHDSACASA-N	-1	0	285.365	0.948	20	30		CCEDRM
C=C(C)[C@H](CC(=O)NCc1nc(=O)o[n-]1)OCC	ZINC001319831711	910309716	/nfs/dbraw/zinc/30/97/16/910309716.db2.gz	HJWZNEOXSMCDGY-QMMMGPOBSA-N	-1	0	255.274	0.350	20	30		CCEDRM
C=CCn1c(-c2cc(=O)[nH][n-]2)nnc1N1CCC(C#N)CC1	ZINC001338945626	921608613	/nfs/dbraw/zinc/60/86/13/921608613.db2.gz	ACDGOLXAAQMMEP-UHFFFAOYSA-N	-1	0	299.338	0.428	20	30		CCEDRM
C=C(Cl)CN1CC[C@@H](n2cc(C(=O)[O-])nn2)C1	ZINC001588641877	983763538	/nfs/dbraw/zinc/76/35/38/983763538.db2.gz	KUYFQKUZRHJWFJ-MRVPVSSYSA-N	-1	0	256.693	0.976	20	30		CCEDRM
C=CC[C@H](NC(=O)c1ccc2c(c1)nnn2C)C(=O)[O-]	ZINC001322602648	911878063	/nfs/dbraw/zinc/87/80/63/911878063.db2.gz	UFPOXUNDKPDUPV-VIFPVBQESA-N	-1	0	274.280	0.727	20	30		CCEDRM
N#CCCCS(=O)(=O)[N-]C(=O)COCc1ccncc1	ZINC001322947473	912033486	/nfs/dbraw/zinc/03/34/86/912033486.db2.gz	RHQSOQPDBFBYKL-UHFFFAOYSA-N	-1	0	297.336	0.348	20	30		CCEDRM
C[C@H]1CC[C@H](Nc2[n-]c(=O)n(C)c(=O)c2C#N)CC1	ZINC001339578865	921765028	/nfs/dbraw/zinc/76/50/28/921765028.db2.gz	NPHABAFIODCRQG-KYZUINATSA-N	-1	0	262.313	0.936	20	30		CCEDRM
C=C(C)C[C@@H](NC(C)=O)C(=O)NCCCc1c[nH][nH]c1=O	ZINC001339663219	921791756	/nfs/dbraw/zinc/79/17/56/921791756.db2.gz	MNJCYUPCQNNXCD-VXGBXAGGSA-N	-1	0	294.355	0.086	20	30		CCEDRM
Cc1[nH]nc(C(=O)N(C)CC(C)(C)CNCC#N)c1[O-]	ZINC001329280399	915790114	/nfs/dbraw/zinc/79/01/14/915790114.db2.gz	ZIONXXBJQONGKA-UHFFFAOYSA-N	-1	0	279.344	0.635	20	30		CCEDRM
N#CCCC[C@H]([NH3+])C(=O)N1CCC[C@@H](c2n[nH]c(=O)[n-]2)C1	ZINC001329287467	915792876	/nfs/dbraw/zinc/79/28/76/915792876.db2.gz	LNNFTTNAUKIBAK-ZJUUUORDSA-N	-1	0	292.343	0.237	20	30		CCEDRM
CC#CCS(=O)(=O)[N-]C(=O)C[C@@H]1CC(C)(C)CO1	ZINC001331480835	917362071	/nfs/dbraw/zinc/36/20/71/917362071.db2.gz	CLNCITHJXZQJHE-SNVBAGLBSA-N	-1	0	273.354	0.661	20	30		CCEDRM
C=CC[C@@H](NC(=O)c1c2c(nn1C)CCC2)C(=O)[O-]	ZINC001332135801	917896773	/nfs/dbraw/zinc/89/67/73/917896773.db2.gz	LKQNEOGSWWPFPQ-SNVBAGLBSA-N	-1	0	263.297	0.668	20	30		CCEDRM
Cc1nn2cccnc2c1C(=O)Nc1nc(C#N)c(C#N)[n-]1	ZINC001332141673	917898916	/nfs/dbraw/zinc/89/89/16/917898916.db2.gz	KCTQILZRNYBNFK-UHFFFAOYSA-N	-1	0	292.262	0.756	20	30		CCEDRM
C#CCN1CCC[C@H]1C(=O)NCc1ccoc1C(=O)[O-]	ZINC001332148340	917903880	/nfs/dbraw/zinc/90/38/80/917903880.db2.gz	KCMLYTCTQYEYJY-NSHDSACASA-N	-1	0	276.292	0.692	20	30		CCEDRM
C=CC[C@@H]1CCN(C(=O)C(=O)N[C@H]2C[C@@H](C(=O)[O-])C2)C1	ZINC001332189420	917943171	/nfs/dbraw/zinc/94/31/71/917943171.db2.gz	YGFSXRFAFBPBED-MXWKQRLJSA-N	-1	0	280.324	0.390	20	30		CCEDRM
C=C[C@H](C)O[N-]C(=O)C(=O)Nc1ncc(COC)s1	ZINC001332628874	918329960	/nfs/dbraw/zinc/32/99/60/918329960.db2.gz	WWNVFDRRVKTHOK-ZETCQYMHSA-N	-1	0	285.325	0.850	20	30		CCEDRM
C=CC[C@H](NC(=O)COCc1nccn1C)C(=O)[O-]	ZINC001333331657	918807763	/nfs/dbraw/zinc/80/77/63/918807763.db2.gz	DPTZOWUMRORPRE-VIFPVBQESA-N	-1	0	267.285	0.082	20	30		CCEDRM
C#CCSCC(=O)[N-]S(=O)(=O)CC[C@@H]1CCCO1	ZINC001333698767	919106736	/nfs/dbraw/zinc/10/67/36/919106736.db2.gz	QJVAXJSPVRDPOK-JTQLQIEISA-N	-1	0	291.394	0.368	20	30		CCEDRM
C=CC[C@H](NC(=O)c1cc2n(n1)CCCO2)C(=O)[O-]	ZINC001334188226	919409412	/nfs/dbraw/zinc/40/94/12/919409412.db2.gz	QAPFMLYVANKGRP-QMMMGPOBSA-N	-1	0	265.269	0.425	20	30		CCEDRM
C=CC[C@@H](NC(=O)c1cnn2c1OCCC2)C(=O)[O-]	ZINC001334981040	919879238	/nfs/dbraw/zinc/87/92/38/919879238.db2.gz	OLSKKERKJAINJF-SECBINFHSA-N	-1	0	265.269	0.425	20	30		CCEDRM
C=CC[C@H](NC(=O)C1C[C@@H]2COC[C@H](C1)C2=O)C(=O)[O-]	ZINC001334980176	919880636	/nfs/dbraw/zinc/88/06/36/919880636.db2.gz	FEEDNMAGVQOXPX-GYIHNLGQSA-N	-1	0	281.308	0.374	20	30		CCEDRM
C=C1C[C@H]2CC[C@@H](C1)N2c1nnnn1CC(=O)[N-]OC	ZINC001335863056	920484690	/nfs/dbraw/zinc/48/46/90/920484690.db2.gz	AYRILVLVGNEGQN-AOOOYVTPSA-N	-1	0	278.316	0.038	20	30		CCEDRM
Cn1c(=O)[n-]c(NC[C@H]2CC2(Cl)Cl)c(C#N)c1=O	ZINC001336444330	920776325	/nfs/dbraw/zinc/77/63/25/920776325.db2.gz	HYIFKRTWUBISQB-RXMQYKEDSA-N	-1	0	289.122	0.551	20	30		CCEDRM
CCC(CC)CC(=O)NCCn1cc(C#N)c(=O)[n-]c1=O	ZINC001418536594	922240066	/nfs/dbraw/zinc/24/00/66/922240066.db2.gz	OSCAMCNDGQNKQC-UHFFFAOYSA-N	-1	0	292.339	0.763	20	30		CCEDRM
C=CC(C)(C)NC(=O)NCCOCCOCC(=O)[O-]	ZINC001341330082	922428261	/nfs/dbraw/zinc/42/82/61/922428261.db2.gz	WRGPECOEQBRCRW-UHFFFAOYSA-N	-1	0	274.317	0.368	20	30		CCEDRM
C=CCC[C@H]1CCCN1c1nnc(Cc2nn[nH]n2)n1C	ZINC001341413924	922474478	/nfs/dbraw/zinc/47/44/78/922474478.db2.gz	GQACHKVLKGMSHZ-JTQLQIEISA-N	-1	0	288.359	0.854	20	30		CCEDRM
Cc1nn(C)cc1CCC(=O)[N-]S(=O)(=O)CCCC#N	ZINC001341793651	922674828	/nfs/dbraw/zinc/67/48/28/922674828.db2.gz	KBMXZNHVAJJGDD-UHFFFAOYSA-N	-1	0	298.368	0.411	20	30		CCEDRM
COCCn1cc(C([O-])=C(C#N)C(=O)NC2CC2)cn1	ZINC001341848727	922695351	/nfs/dbraw/zinc/69/53/51/922695351.db2.gz	FGXIQHXFIWBGJF-NSHDSACASA-N	-1	0	276.296	0.131	20	30		CCEDRM
CCCn1cc(C([O-])=C(C#N)C(=O)NCCCOC)nn1	ZINC001341905215	922717483	/nfs/dbraw/zinc/71/74/83/922717483.db2.gz	YQTUIJUSPWGNFU-SNVBAGLBSA-N	-1	0	293.327	0.163	20	30		CCEDRM
CCc1cc(C([O-])=C(C#N)C(=O)NCCOC)nn1C	ZINC001342583751	923011220	/nfs/dbraw/zinc/01/12/20/923011220.db2.gz	MVLGJQLXXZZBCT-JTQLQIEISA-N	-1	0	278.312	0.068	20	30		CCEDRM
CCOCCn1cc(C([O-])=C(C#N)C(=O)NC2CC2)cn1	ZINC001342631334	923032197	/nfs/dbraw/zinc/03/21/97/923032197.db2.gz	OQXQYVIWIKXSBY-GFCCVEGCSA-N	-1	0	290.323	0.521	20	30		CCEDRM
C#CCC(C)(C)C(=O)[N-]S(=O)(=O)N(C)C(C)C	ZINC001343535424	923365908	/nfs/dbraw/zinc/36/59/08/923365908.db2.gz	WHJIYYXPNRFIDW-UHFFFAOYSA-N	-1	0	260.359	0.737	20	30		CCEDRM
CCOCCCNC(=O)C(C#N)=C([O-])c1ccn(C)n1	ZINC001346199317	924107367	/nfs/dbraw/zinc/10/73/67/924107367.db2.gz	SRJUCXWSILSIPQ-JTQLQIEISA-N	-1	0	278.312	0.285	20	30		CCEDRM
C=C[C@H](C)O[N-]C(=O)C(=O)Nc1ncncc1OC	ZINC001346208898	924111978	/nfs/dbraw/zinc/11/19/78/924111978.db2.gz	QENATHGINJDYEL-ZETCQYMHSA-N	-1	0	266.257	0.046	20	30		CCEDRM
Cn1c(=O)[n-]c(N[C@H]2CCc3ccc(O)cc32)c(C#N)c1=O	ZINC001421201558	924211534	/nfs/dbraw/zinc/21/15/34/924211534.db2.gz	CCBNBQKXMXWWTP-LBPRGKRZSA-N	-1	0	298.302	0.750	20	30		CCEDRM
CNC(=O)C(C#N)=C([O-])c1cnn2c1nc(C)cc2C	ZINC001347063042	924364032	/nfs/dbraw/zinc/36/40/32/924364032.db2.gz	GTRXYBSYACFSNI-VIFPVBQESA-N	-1	0	271.280	0.415	20	30		CCEDRM
C=C[C@H](C)O[N-]C(=O)Cc1n[nH]c(C2CCOCC2)n1	ZINC001347204558	924398224	/nfs/dbraw/zinc/39/82/24/924398224.db2.gz	AIRQEPKVUIZZRF-VIFPVBQESA-N	-1	0	280.328	0.864	20	30		CCEDRM
C#CCCCCC(=O)N[C@@H](C(=O)[O-])[C@@H](O)c1ccncc1	ZINC001347561273	924480672	/nfs/dbraw/zinc/48/06/72/924480672.db2.gz	HLPYGBLLYPUEIR-KGLIPLIRSA-N	-1	0	290.319	0.878	20	30		CCEDRM
C[C@@H](N(C)c1[n-]c(=O)n(C)c(=O)c1C#N)C(C)(C)C	ZINC001347893446	924556950	/nfs/dbraw/zinc/55/69/50/924556950.db2.gz	NURVJUXVXGWKBO-MRVPVSSYSA-N	-1	0	264.329	0.816	20	30		CCEDRM
C=CCOC[C@@H](NCc1cc(OC)ns1)C(=O)[O-]	ZINC001350610504	925239055	/nfs/dbraw/zinc/23/90/55/925239055.db2.gz	IAYXTMHREYAMBM-SECBINFHSA-N	-1	0	272.326	0.897	20	30		CCEDRM
C=C(C)C[C@H](NC(=O)CCCC(=O)[O-])C(=O)OC	ZINC001350620687	925241732	/nfs/dbraw/zinc/24/17/32/925241732.db2.gz	DVUJWJXUACCHFP-VIFPVBQESA-N	-1	0	257.286	0.865	20	30		CCEDRM
C=C(Cl)C[C@@H](NC(=O)Cc1cc[nH]n1)C(=O)[O-]	ZINC001350781819	925278646	/nfs/dbraw/zinc/27/86/46/925278646.db2.gz	FPQMHMLDLSMOPH-MRVPVSSYSA-N	-1	0	257.677	0.664	20	30		CCEDRM
C=CCn1c(-c2cc(=O)[nH][n-]2)nnc1N1CC[C@H](CC)C1	ZINC001351851155	925484906	/nfs/dbraw/zinc/48/49/06/925484906.db2.gz	FXTSJNUMYXJBCB-JTQLQIEISA-N	-1	0	288.355	0.924	20	30		CCEDRM
C=C[C@@H](C)O[N-]C(=O)C1=CN(C)S(=O)(=O)N=C1C	ZINC001300213250	925743762	/nfs/dbraw/zinc/74/37/62/925743762.db2.gz	NMQVGPWWBJEVDB-SSDOTTSWSA-N	-1	0	273.314	0.144	20	30		CCEDRM
CC#CCS(=O)(=O)[N-]C(=O)c1cnc(C2CC2)o1	ZINC001353522230	925860802	/nfs/dbraw/zinc/86/08/02/925860802.db2.gz	LUYXSDYUKPXXBD-UHFFFAOYSA-N	-1	0	268.294	0.635	20	30		CCEDRM
CC(C)COCCCNc1[n-]c(=O)n(C)c(=O)c1C#N	ZINC001354060291	926002132	/nfs/dbraw/zinc/00/21/32/926002132.db2.gz	KSZXFVIJASAUCC-UHFFFAOYSA-N	-1	0	280.328	0.420	20	30		CCEDRM
CNC(=O)C(C#N)=C([O-])c1sc(COC)nc1C	ZINC001356042088	926336868	/nfs/dbraw/zinc/33/68/68/926336868.db2.gz	JFYIPBJBGZRAPU-ZETCQYMHSA-N	-1	0	267.310	0.666	20	30		CCEDRM
C=CCNC(=O)C(C#N)=C([O-])c1cnn(CCOC)c1C	ZINC001356131987	926348062	/nfs/dbraw/zinc/34/80/62/926348062.db2.gz	UGUAJPMYLPDEHC-NSHDSACASA-N	-1	0	290.323	0.463	20	30		CCEDRM
CC(C)OCCCNC(=O)C(C#N)=C([O-])c1ccn(C)n1	ZINC001356220284	926355924	/nfs/dbraw/zinc/35/59/24/926355924.db2.gz	FUEPNHUUFRRIIX-NSHDSACASA-N	-1	0	292.339	0.674	20	30		CCEDRM
Cc1cc(C#N)c(=O)[n-]c1C(=O)N1CCC(C(N)=O)CC1	ZINC001361857196	927393782	/nfs/dbraw/zinc/39/37/82/927393782.db2.gz	PVZDCYWHRNEQCM-UHFFFAOYSA-N	-1	0	288.307	0.305	20	30		CCEDRM
N#Cc1cn(CCC(=O)NCC2CCCC2)c(=O)[n-]c1=O	ZINC001361918291	927447153	/nfs/dbraw/zinc/44/71/53/927447153.db2.gz	OJSUWNXJSSDUBR-UHFFFAOYSA-N	-1	0	290.323	0.517	20	30		CCEDRM
Cc1cncc(NC(=O)Cn2cc(C#N)c(=O)[n-]c2=O)c1	ZINC001362182002	927704810	/nfs/dbraw/zinc/70/48/10/927704810.db2.gz	ORSDKSSNBDKYKB-UHFFFAOYSA-N	-1	0	285.263	0.163	20	30		CCEDRM
COC(=O)C(C)(C)CNC(=O)c1[n-]c(=O)c(C#N)cc1C	ZINC001362248010	927776956	/nfs/dbraw/zinc/77/69/56/927776956.db2.gz	JVCYMVGBDKIFSA-UHFFFAOYSA-N	-1	0	291.307	0.896	20	30		CCEDRM
Cc1cc(C#N)c(=O)[n-]c1C(=O)N(C)c1ccn(C)n1	ZINC001362690293	928363363	/nfs/dbraw/zinc/36/33/63/928363363.db2.gz	UUFQAYHUBWRAOF-UHFFFAOYSA-N	-1	0	271.280	0.977	20	30		CCEDRM
CCN(C(=O)c1[n-]c(=O)c(C#N)cc1C)[C@@H]1CCNC1=O	ZINC001362725273	928412810	/nfs/dbraw/zinc/41/28/10/928412810.db2.gz	UREIZXPEIYCIIW-SNVBAGLBSA-N	-1	0	288.307	0.318	20	30		CCEDRM
Cc1cc(C#N)c(=O)[n-]c1C(=O)N[C@@H]1CCNC(=O)CC1	ZINC001362787715	928489381	/nfs/dbraw/zinc/48/93/81/928489381.db2.gz	JBVPSXDAUQORRK-JTQLQIEISA-N	-1	0	288.307	0.366	20	30		CCEDRM
CC1(C)CC[C@@H]1NC(=O)Cn1cc(C#N)c(=O)[n-]c1=O	ZINC001362808142	928515477	/nfs/dbraw/zinc/51/54/77/928515477.db2.gz	COVJLLJIXUHVSY-VIFPVBQESA-N	-1	0	276.296	0.125	20	30		CCEDRM
C[C@H]1[C@@H]([N-]C(=O)C(F)(F)F)CCCN1C(=O)CC#N	ZINC001362966233	928705935	/nfs/dbraw/zinc/70/59/35/928705935.db2.gz	BOBDPVOHRJVFQB-YUMQZZPRSA-N	-1	0	277.246	0.958	20	30		CCEDRM
Cc1noc(C2CN(C(=O)c3[n-]c(=O)c(C#N)cc3C)C2)n1	ZINC001363137040	928909571	/nfs/dbraw/zinc/90/95/71/928909571.db2.gz	JJXKVHPGXVUYRV-UHFFFAOYSA-N	-1	0	299.290	0.898	20	30		CCEDRM
Cc1cc(C#N)ccc1C(=O)N(C)Cc1nc(=O)o[n-]1	ZINC001363138704	928913015	/nfs/dbraw/zinc/91/30/15/928913015.db2.gz	DNBUZOWHIGENFU-UHFFFAOYSA-N	-1	0	272.264	0.815	20	30		CCEDRM
N#Cc1ccncc1C(=O)N1CCC[C@@H](Cc2nnn[n-]2)C1	ZINC001363580645	929384475	/nfs/dbraw/zinc/38/44/75/929384475.db2.gz	FUGFLNXLHMFVOS-JTQLQIEISA-N	-1	0	297.322	0.561	20	30		CCEDRM
COC[C@H](Nc1[n-]c(=O)n(C)c(=O)c1C#N)c1ccco1	ZINC001363725326	929523416	/nfs/dbraw/zinc/52/34/16/929523416.db2.gz	CTHPZZGOUFLRGQ-VIFPVBQESA-N	-1	0	290.279	0.338	20	30		CCEDRM
Cn1c(=O)[n-]c(NCC[C@@H]2CCCC[C@@H]2O)c(C#N)c1=O	ZINC001363760888	929551363	/nfs/dbraw/zinc/55/13/63/929551363.db2.gz	IYLNGTQFEOBHQQ-ONGXEEELSA-N	-1	0	292.339	0.298	20	30		CCEDRM
COC(=O)c1sccc1Cn1c(=O)[n-]cc(C#N)c1=O	ZINC001363760999	929551685	/nfs/dbraw/zinc/55/16/85/929551685.db2.gz	MTZPDZMWGWCRKP-UHFFFAOYSA-N	-1	0	291.288	0.305	20	30		CCEDRM
Cc1cc(C#N)c(=O)[n-]c1C(=O)N1CC[C@H]([C@H](C)O)C1	ZINC001446730593	930468287	/nfs/dbraw/zinc/46/82/87/930468287.db2.gz	ALUPKWISOBBCRV-UWVGGRQHSA-N	-1	0	275.308	0.810	20	30		CCEDRM
N#CC1(CC(=O)N(CC(=O)[O-])C2CCOCC2)CC1	ZINC001601053674	970923346	/nfs/dbraw/zinc/92/33/46/970923346.db2.gz	NXSUPTJAMBYKCF-UHFFFAOYSA-N	-1	0	266.297	0.772	20	30		CCEDRM
Cc1[nH]nc(NC(=O)CSCC(=O)[O-])c1C#N	ZINC001611227613	970945626	/nfs/dbraw/zinc/94/56/26/970945626.db2.gz	YEXZOIAWQCIWCG-UHFFFAOYSA-N	-1	0	254.271	0.346	20	30		CCEDRM
C#C[C@@H](NC(=O)N[C@H]1CCC[C@H]1C(=O)[O-])C1CCOCC1	ZINC001602671644	971234120	/nfs/dbraw/zinc/23/41/20/971234120.db2.gz	DVMDGWCHPCDHNT-UPJWGTAASA-N	-1	0	294.351	0.967	20	30		CCEDRM
C#C[C@@H](CO)NC(=O)C1(C(=O)[O-])C(C)(C)C1(C)C	ZINC001602673639	971241260	/nfs/dbraw/zinc/24/12/60/971241260.db2.gz	YYVVZOYKVUFUOP-QMMMGPOBSA-N	-1	0	253.298	0.234	20	30		CCEDRM
C#CC[C@H](CCOC)NC(=O)N1CCC[C@@H](C(=O)[O-])C1	ZINC001602675296	971248070	/nfs/dbraw/zinc/24/80/70/971248070.db2.gz	PACQODPRTNDBDP-VXGBXAGGSA-N	-1	0	282.340	0.921	20	30		CCEDRM
C#CCN(CC(=O)[O-])C(=O)C(=O)Nc1ccccc1Cl	ZINC001602679852	971262217	/nfs/dbraw/zinc/26/22/17/971262217.db2.gz	XNNYPENHIZBOFC-UHFFFAOYSA-N	-1	0	294.694	0.825	20	30		CCEDRM
C#CCN(CC(=O)[O-])C(=O)N[C@@H](C)c1nccn1C	ZINC001602683351	971271858	/nfs/dbraw/zinc/27/18/58/971271858.db2.gz	BHVBQWQHPSZVJY-VIFPVBQESA-N	-1	0	264.285	0.211	20	30		CCEDRM
C#CCN(CC(=O)[O-])C(=O)N[C@@H]1CCC[C@H]1CC(=O)OC	ZINC001602685678	971281841	/nfs/dbraw/zinc/28/18/41/971281841.db2.gz	DQFWBXFTPWJSGW-WDEREUQCSA-N	-1	0	296.323	0.448	20	30		CCEDRM
C#CCN(CC(=O)[O-])C(=O)c1[nH]c(C)c(C(N)=O)c1CC	ZINC001602691597	971296688	/nfs/dbraw/zinc/29/66/88/971296688.db2.gz	OGMWSIUTDVIDOH-UHFFFAOYSA-N	-1	0	291.307	0.144	20	30		CCEDRM
C#CCN(CC(=O)[O-])C(=O)c1nn(CC)cc1Cl	ZINC001602692283	971302076	/nfs/dbraw/zinc/30/20/76/971302076.db2.gz	JTCSLRAPDKDPLK-UHFFFAOYSA-N	-1	0	269.688	0.716	20	30		CCEDRM
C#CCN(CC(=O)[O-])C(=O)c1ccnc(-n2cccn2)c1	ZINC001602692163	971301029	/nfs/dbraw/zinc/30/10/29/971301029.db2.gz	GIMQVFREUSPTTG-UHFFFAOYSA-N	-1	0	284.275	0.427	20	30		CCEDRM
C#CCN(CC(=O)[O-])C(=O)c1c[nH]nc1[C@@H]1CCCO1	ZINC001602692222	971301105	/nfs/dbraw/zinc/30/11/05/971301105.db2.gz	HAZRLSPDFWQAFN-JTQLQIEISA-N	-1	0	277.280	0.421	20	30		CCEDRM
C#CCN(CC(=O)[O-])c1nnc(C2(OCC)CCC2)n1C	ZINC001602700676	971320358	/nfs/dbraw/zinc/32/03/58/971320358.db2.gz	DNSLWTCTIIUYTR-UHFFFAOYSA-N	-1	0	292.339	0.755	20	30		CCEDRM
C#CCN(CC(=O)[O-])c1nnc([C@H]2CCO[C@H]2C)n1C	ZINC001602700868	971322286	/nfs/dbraw/zinc/32/22/86/971322286.db2.gz	MECTUKZLPFTYKD-UWVGGRQHSA-N	-1	0	278.312	0.232	20	30		CCEDRM
C=C(C)C[C@H](CO)Nc1cnc(C#N)c(-c2nnn[n-]2)n1	ZINC001573298726	947078687	/nfs/dbraw/zinc/07/86/87/947078687.db2.gz	GHFAQSPNSBUMGU-MRVPVSSYSA-N	-1	0	286.299	0.267	20	30		CCEDRM
C#Cc1ccc(NC(=O)C(=O)N(CC)[C@H](C)C(=O)[O-])cc1	ZINC001602704268	971332849	/nfs/dbraw/zinc/33/28/49/971332849.db2.gz	AHXGIMYCZUNZFP-SNVBAGLBSA-N	-1	0	288.303	0.928	20	30		CCEDRM
C#CCN(Cc1ccc(F)cc1)C(=O)[C@H](OC)C(=O)[O-]	ZINC001602701130	971326385	/nfs/dbraw/zinc/32/63/85/971326385.db2.gz	XUCPOZHPWJHKJN-LBPRGKRZSA-N	-1	0	279.267	0.887	20	30		CCEDRM
C=C(C)CNC(=O)[C@@H]1CCCN(CC(=O)[O-])C1=O	ZINC001602709429	971345936	/nfs/dbraw/zinc/34/59/36/971345936.db2.gz	ACANZPNOSZQYJS-VIFPVBQESA-N	-1	0	254.286	0.002	20	30		CCEDRM
C=CC(C)(C)C(=O)O[C@H]1CCN(CC(=O)[O-])C1=O	ZINC001602713174	971361282	/nfs/dbraw/zinc/36/12/82/971361282.db2.gz	OORUYFAHPKLAFZ-QMMMGPOBSA-N	-1	0	255.270	0.427	20	30		CCEDRM
C=C[C@@H](CC)OC(=O)C1(C(=O)[O-])CCS(=O)(=O)CC1	ZINC001602717158	971364074	/nfs/dbraw/zinc/36/40/74/971364074.db2.gz	BJSJZZQXQBPQAU-VIFPVBQESA-N	-1	0	290.337	0.774	20	30		CCEDRM
C=C[C@@H](OC(=O)[C@@H]1CC[C@H]1C(=O)[O-])C(=O)OCC	ZINC001602717440	971367161	/nfs/dbraw/zinc/36/71/61/971367161.db2.gz	MPHWMGJAKSLTAB-IWSPIJDZSA-N	-1	0	256.254	0.758	20	30		CCEDRM
C=CC1(OC(=O)[C@H]2CCCN(CC(=O)[O-])C2=O)CC1	ZINC001602717559	971369182	/nfs/dbraw/zinc/36/91/82/971369182.db2.gz	RELIPDORTGHCCY-VIFPVBQESA-N	-1	0	267.281	0.571	20	30		CCEDRM
C=CC[C@@H](NC(=O)C1(C(=O)[O-])CCOCC1)C(=O)OCC	ZINC001602718718	971376186	/nfs/dbraw/zinc/37/61/86/971376186.db2.gz	UCTODPMZNMBGOK-SNVBAGLBSA-N	-1	0	299.323	0.492	20	30		CCEDRM
C=CCC[C@H]1NC(=O)N([C@H]2C[C@H](C(=O)[O-])C2)C1=O	ZINC001602719094	971381821	/nfs/dbraw/zinc/38/18/21/971381821.db2.gz	PCHIVYDYLNTWJC-IWSPIJDZSA-N	-1	0	252.270	0.736	20	30		CCEDRM
C=CCCn1cc(CON2C[C@@H](C(=O)[O-])CC2=O)nn1	ZINC001602721932	971385137	/nfs/dbraw/zinc/38/51/37/971385137.db2.gz	GZQLTVVJJVBRAT-VIFPVBQESA-N	-1	0	280.284	0.219	20	30		CCEDRM
C=CCn1cc(CNC(=O)N[C@H]2CCC[C@H]2C(=O)[O-])nn1	ZINC001602731171	971412592	/nfs/dbraw/zinc/41/25/92/971412592.db2.gz	WKHIFTCMHKKVOC-MNOVXSKESA-N	-1	0	293.327	0.517	20	30		CCEDRM
C[C@@](C#N)(CC(=O)[O-])C(=O)N1CC(O)(c2ccccc2)C1	ZINC001602779096	971514579	/nfs/dbraw/zinc/51/45/79/971514579.db2.gz	RJNWGOYUYPKJHR-AWEZNQCLSA-N	-1	0	288.303	0.721	20	30		CCEDRM
C[C@@](C#N)(CC(=O)[O-])C(=O)NCCO[C@@H]1CCCCO1	ZINC001602781392	971523588	/nfs/dbraw/zinc/52/35/88/971523588.db2.gz	YTSSKUDDKQDZDT-YPMHNXCESA-N	-1	0	284.312	0.650	20	30		CCEDRM
C[C@H](C#N)N(CN1C[C@@H](C(=O)[O-])CC1=O)C1CC1	ZINC001602786221	971532452	/nfs/dbraw/zinc/53/24/52/971532452.db2.gz	GASZPQCZNCSOGE-BDAKNGLRSA-N	-1	0	251.286	0.253	20	30		CCEDRM
C#CCN(CC(=O)[O-])S(=O)(=O)c1ccc(F)c(F)c1	ZINC000092479703	949152606	/nfs/dbraw/zinc/15/26/06/949152606.db2.gz	OEHUFNCJVYSNIN-UHFFFAOYSA-N	-1	0	289.259	0.673	20	30		CCEDRM
C#CCN(CC(=O)[O-])C(=O)NCCC(=O)N[C@H](C)CC	ZINC000092491237	949160343	/nfs/dbraw/zinc/16/03/43/949160343.db2.gz	FZGSWGOWHDIDNF-SNVBAGLBSA-N	-1	0	283.328	0.021	20	30		CCEDRM
C#CCN(CC(=O)[O-])C(=O)c1ccc(F)c(OC)c1	ZINC000134064276	949328948	/nfs/dbraw/zinc/32/89/48/949328948.db2.gz	AOQKFNRHUCCOIA-UHFFFAOYSA-N	-1	0	265.240	0.994	20	30		CCEDRM
N#C[C@@H]1CN(C(=O)Cc2ccccc2C(=O)[O-])CCO1	ZINC000228051581	949619761	/nfs/dbraw/zinc/61/97/61/949619761.db2.gz	SSRXRKULISOOIW-LLVKDONJSA-N	-1	0	274.276	0.678	20	30		CCEDRM
C[C@@H](C(=O)[O-])C(=O)OCC(=O)NCc1ccc(C#N)cc1	ZINC001602810342	971599307	/nfs/dbraw/zinc/59/93/07/971599307.db2.gz	NTPDYOFDTATHNY-VIFPVBQESA-N	-1	0	290.275	0.438	20	30		CCEDRM
O=C([O-])c1cnc(C(=O)NCC#C[C@@H]2CCCCO2)cn1	ZINC001595267129	949761366	/nfs/dbraw/zinc/76/13/66/949761366.db2.gz	ATURMLBBVZDNRL-JTQLQIEISA-N	-1	0	289.291	0.477	20	30		CCEDRM
CC(C)(C)CC[C@@H](NC(=O)[C@](C)(C#N)CC(=O)[O-])C(N)=O	ZINC001602859256	971709373	/nfs/dbraw/zinc/70/93/73/971709373.db2.gz	CPHSXZJUJINKHQ-OTYXRUKQSA-N	-1	0	297.355	0.787	20	30		CCEDRM
C#CCN(CC(=O)[O-])C(=O)N[C@@H]1CCOC1(C)C	ZINC000328413825	951126699	/nfs/dbraw/zinc/12/66/99/951126699.db2.gz	WCHDVTCXXMAXCQ-SECBINFHSA-N	-1	0	254.286	0.283	20	30		CCEDRM
CC(C)CN(CCC#N)CCS(=O)(=O)CC(=O)[O-]	ZINC000386354428	951298509	/nfs/dbraw/zinc/29/85/09/951298509.db2.gz	NPMJIFXHTAMOPR-UHFFFAOYSA-N	-1	0	276.358	0.357	20	30		CCEDRM
O=C([O-])CCCCC(=O)N[C@@H]1CCCN(O)C1=O	ZINC001595034409	951385836	/nfs/dbraw/zinc/38/58/36/951385836.db2.gz	RESYVKUPDDSEDT-MRVPVSSYSA-N	-1	0	258.274	0.128	20	30		CCEDRM
C[C@]1(C#N)CCCN(C(=O)c2cc(C(=O)[O-])n[nH]2)C1	ZINC001603290289	972545234	/nfs/dbraw/zinc/54/52/34/972545234.db2.gz	JTFVARAAZNQPNV-GFCCVEGCSA-N	-1	0	262.269	0.874	20	30		CCEDRM
C[C@H](C(=O)N1C[C@H](C(=O)[O-])CC[C@H]1C)n1cnc(C#N)n1	ZINC001589300617	953691540	/nfs/dbraw/zinc/69/15/40/953691540.db2.gz	YOTDWWPNBBKBMT-OPRDCNLKSA-N	-1	0	291.311	0.422	20	30		CCEDRM
CCn1c([C@@H]2C[C@@H]2C#N)nnc1N1CC[C@H](C(=O)[O-])C1	ZINC001593661290	953805736	/nfs/dbraw/zinc/80/57/36/953805736.db2.gz	WASGXAUCLIFXFF-IVZWLZJFSA-N	-1	0	275.312	0.836	20	30		CCEDRM
CN(C(=O)COC(=O)C1(C(=O)[O-])CCC1)C(C)(C)C#N	ZINC001593675982	953927011	/nfs/dbraw/zinc/92/70/11/953927011.db2.gz	JAMFLJGMMJOZGB-UHFFFAOYSA-N	-1	0	282.296	0.545	20	30		CCEDRM
CN(C)C[C@](C)(C#N)NC(=O)[C@H]1CO[C@H](CCC(=O)[O-])C1	ZINC001593691870	954043645	/nfs/dbraw/zinc/04/36/45/954043645.db2.gz	DFEFQABKYLUKSW-GYSYKLTISA-N	-1	0	297.355	0.216	20	30		CCEDRM
C[C@@H]1CN(C(=O)[C@](C)(C#N)CC(=O)[O-])C[C@@H](C)C1O	ZINC001589366234	954197476	/nfs/dbraw/zinc/19/74/76/954197476.db2.gz	LBEIWLWDYPJOMS-KKFJDGPESA-N	-1	0	268.313	0.466	20	30		CCEDRM
CN(CC(=O)[O-])Cc1cn(CC2(CC#N)CC2)nn1	ZINC001593722406	954260523	/nfs/dbraw/zinc/26/05/23/954260523.db2.gz	FRPWDFLFEQQWGN-UHFFFAOYSA-N	-1	0	263.301	0.488	20	30		CCEDRM
CN(CC(=O)[O-])Cc1cn([C@H]2CC[C@H](C#N)C2)nn1	ZINC001593722921	954262446	/nfs/dbraw/zinc/26/24/46/954262446.db2.gz	VSWKEBZSGJNERW-ONGXEEELSA-N	-1	0	263.301	0.659	20	30		CCEDRM
CN(CCC(=O)[O-])S(=O)(=O)Cc1csc(C#N)c1	ZINC001593740072	954352811	/nfs/dbraw/zinc/35/28/11/954352811.db2.gz	RDFUTRVWGNPWIL-UHFFFAOYSA-N	-1	0	288.350	0.856	20	30		CCEDRM
CCC(C#N)(CC)C(=O)N1C[C@H]2COC[C@@]2(C(=O)[O-])C1	ZINC001589426809	954633592	/nfs/dbraw/zinc/63/35/92/954633592.db2.gz	RUAATKNTTJUHQB-HZMBPMFUSA-N	-1	0	280.324	0.876	20	30		CCEDRM
CC[C@@H](C(=O)[O-])N(C)CC(=O)N(CC)C[C@H](C)C#N	ZINC001589440785	954710585	/nfs/dbraw/zinc/71/05/85/954710585.db2.gz	LCKOSNAKWCYLJX-MNOVXSKESA-N	-1	0	269.345	0.790	20	30		CCEDRM
COC(=O)C1CC2(C1)CN(CC#N)C[C@@H]2C(=O)[O-]	ZINC001593823623	955064510	/nfs/dbraw/zinc/06/45/10/955064510.db2.gz	DOWZPTXOIVXXBQ-NBBOBHDQSA-N	-1	0	252.270	0.096	20	30		CCEDRM
O=C([O-])[C@]1(O)CCN(C(=O)C#Cc2ccccc2)C1	ZINC000386574863	972066193	/nfs/dbraw/zinc/06/61/93/972066193.db2.gz	RTIDMXQOSPIYEN-AWEZNQCLSA-N	-1	0	259.261	0.086	20	30		CCEDRM
Cn1c(C#N)ccc1C(=O)N(CC(=O)[O-])C1CCOCC1	ZINC001594525914	955501977	/nfs/dbraw/zinc/50/19/77/955501977.db2.gz	YJANNGWCTRZDFH-UHFFFAOYSA-N	-1	0	291.307	0.603	20	30		CCEDRM
CO[C@H](C(=O)[O-])C(=O)Nc1cccc(OCC#N)c1	ZINC001593912540	955980354	/nfs/dbraw/zinc/98/03/54/955980354.db2.gz	AELGFYATXCGEGP-JTQLQIEISA-N	-1	0	264.237	0.627	20	30		CCEDRM
N#C[C@@H](C(=O)NC1CC1)C(=O)[C@@H]1CC[C@H]1C(=O)[O-]	ZINC001594601720	956139426	/nfs/dbraw/zinc/13/94/26/956139426.db2.gz	PWPNTOUMSZALIN-IWSPIJDZSA-N	-1	0	250.254	0.085	20	30		CCEDRM
N#CC1(NC(=O)CN[C@]2(C(=O)[O-])CCOC2)CCCCC1	ZINC001594602310	956145598	/nfs/dbraw/zinc/14/55/98/956145598.db2.gz	LRCLSBQGVVBCKY-CQSZACIVSA-N	-1	0	295.339	0.162	20	30		CCEDRM
N#CC1(COC(=O)[C@H]2CO[C@@H](CCC(=O)[O-])C2)COC1	ZINC001594604359	956161524	/nfs/dbraw/zinc/16/15/24/956161524.db2.gz	RQLJRGNDKNHZII-ZJUUUORDSA-N	-1	0	283.280	0.340	20	30		CCEDRM
N#CC[C@@H]1CCCN(C(=O)C(=O)N[C@H]2C[C@@H](C(=O)[O-])C2)C1	ZINC001594605482	956167011	/nfs/dbraw/zinc/16/70/11/956167011.db2.gz	DJYTXCQUHQLLON-GARJFASQSA-N	-1	0	293.323	0.118	20	30		CCEDRM
N#CCCNC(=O)CN[C@@H](C(=O)[O-])c1ccc(F)cc1	ZINC001594609950	956196531	/nfs/dbraw/zinc/19/65/31/956196531.db2.gz	GPDUGAASNKIQNW-GFCCVEGCSA-N	-1	0	279.271	0.571	20	30		CCEDRM
N#CCc1cccc(NC(=O)N2CC(C(=O)[O-])C2)n1	ZINC001594611565	956216543	/nfs/dbraw/zinc/21/65/43/956216543.db2.gz	YAUCBWNBCMVNMO-UHFFFAOYSA-N	-1	0	260.253	0.696	20	30		CCEDRM
N#Cc1ccc(C[C@H](C#N)C(=O)OCC(=O)[O-])cc1	ZINC001594618215	956261919	/nfs/dbraw/zinc/26/19/19/956261919.db2.gz	JBQMKDCXHDWIMP-LLVKDONJSA-N	-1	0	258.233	0.868	20	30		CCEDRM
N#Cc1cccc([N+](=O)[O-])c1CN[C@]1(C(=O)[O-])CCOC1	ZINC001594628530	956332263	/nfs/dbraw/zinc/33/22/63/956332263.db2.gz	ATHMGRVMCPEUEG-CYBMUJFWSA-N	-1	0	291.263	0.800	20	30		CCEDRM
N#Cc1ncccc1COC(=O)c1cnc(C(=O)[O-])cn1	ZINC001594635055	956367461	/nfs/dbraw/zinc/36/74/61/956367461.db2.gz	HRDQKERSOXLGMI-UHFFFAOYSA-N	-1	0	284.231	0.798	20	30		CCEDRM
N#Cc1sc(NC(=O)NCC(=O)[O-])nc1Cl	ZINC001594635673	956370836	/nfs/dbraw/zinc/37/08/36/956370836.db2.gz	QZEOHUYLQMFKBP-UHFFFAOYSA-N	-1	0	260.662	0.874	20	30		CCEDRM
COC[C@H](NC(=O)[C@@](C)(C#N)CC(=O)[O-])[C@H]1CCCO1	ZINC001593957764	956451637	/nfs/dbraw/zinc/45/16/37/956451637.db2.gz	YBHZAJRKGRFNOJ-OPQQBVKSSA-N	-1	0	284.312	0.301	20	30		CCEDRM
CC1CC(C#N)(C(=O)N2C[C@H]3COC[C@@]3(C(=O)[O-])C2)C1	ZINC001589263060	957058816	/nfs/dbraw/zinc/05/88/16/957058816.db2.gz	FJAKOTSNRXDKLY-HNXNIXLTSA-N	-1	0	278.308	0.486	20	30		CCEDRM
N#CCSc1ccccc1C(=O)N[C@@H](CO)C(=O)[O-]	ZINC000037450920	957295415	/nfs/dbraw/zinc/29/54/15/957295415.db2.gz	SMDMJOWHKQHVCG-VIFPVBQESA-N	-1	0	280.305	0.478	20	30		CCEDRM
C#CC1(F)CN(CC2(O)CCC(C(=O)[O-])CC2)C1	ZINC001588385484	957971966	/nfs/dbraw/zinc/97/19/66/957971966.db2.gz	GHZBXFPEDPPSQN-UHFFFAOYSA-N	-1	0	255.289	0.649	20	30		CCEDRM
C#CC1(F)CN(C(=O)NC2CCC(C(=O)[O-])CC2)C1	ZINC001588386656	957980862	/nfs/dbraw/zinc/98/08/62/957980862.db2.gz	UDJKPUNLECYFSP-UHFFFAOYSA-N	-1	0	268.288	0.997	20	30		CCEDRM
C#CCCCn1nnnc1N1CCC[C@H](CC(=O)[O-])C1	ZINC001588390819	958016169	/nfs/dbraw/zinc/01/61/69/958016169.db2.gz	LEPMBEXXIOMCTP-LLVKDONJSA-N	-1	0	277.328	0.778	20	30		CCEDRM
C#CCC[C@@H](O)CNC(=O)/C=C/c1ccc(C(=O)[O-])o1	ZINC001588391742	958026565	/nfs/dbraw/zinc/02/65/65/958026565.db2.gz	NAWFGYKIEMAQBO-QEHWCHDUSA-N	-1	0	277.276	0.882	20	30		CCEDRM
C#CCC[C@H](O)CNC(=O)/C=C/c1ccc(C(=O)[O-])o1	ZINC001588391741	958026688	/nfs/dbraw/zinc/02/66/88/958026688.db2.gz	NAWFGYKIEMAQBO-PCGIRMHASA-N	-1	0	277.276	0.882	20	30		CCEDRM
C#CCN(CC(=O)[O-])C(=O)[C@H](NC(C)=O)C1CCCC1	ZINC001588397414	958055515	/nfs/dbraw/zinc/05/55/15/958055515.db2.gz	HLSJCEHQSSRYAO-CYBMUJFWSA-N	-1	0	280.324	0.228	20	30		CCEDRM
C#CCN(CC(=O)[O-])C(=O)[C@@H](Cc1ccccc1)OC	ZINC001588397387	958056619	/nfs/dbraw/zinc/05/66/19/958056619.db2.gz	GQCQLBDAPSSHFB-CYBMUJFWSA-N	-1	0	275.304	0.791	20	30		CCEDRM
C#CCN(CC(=O)[O-])C(=O)C(C)(C)CCC(C)=O	ZINC001588397449	958058038	/nfs/dbraw/zinc/05/80/38/958058038.db2.gz	IQCRURSSHPIOBH-UHFFFAOYSA-N	-1	0	253.298	0.928	20	30		CCEDRM
C#CCN(CC(=O)[O-])C(=O)[C@H](OC)C1CCCC1	ZINC001588397442	958058232	/nfs/dbraw/zinc/05/82/32/958058232.db2.gz	ILRJWOMJZOWLFA-GFCCVEGCSA-N	-1	0	253.298	0.738	20	30		CCEDRM
C#CCN(CC(=O)[O-])C(=O)[C@H]1CCN(CC(F)(F)F)C1	ZINC001588399538	958074447	/nfs/dbraw/zinc/07/44/47/958074447.db2.gz	MALBGFJYZSOOEH-VIFPVBQESA-N	-1	0	292.257	0.417	20	30		CCEDRM
N#Cc1cccc(C(=O)NCCn2cc(C(=O)[O-])nn2)c1	ZINC000089695554	958078061	/nfs/dbraw/zinc/07/80/61/958078061.db2.gz	ACPLXVWDDIYMOG-UHFFFAOYSA-N	-1	0	285.263	0.278	20	30		CCEDRM
C#CCN(CC(=O)[O-])C(=O)Cc1cccc(F)c1[N+](=O)[O-]	ZINC001588406720	958096119	/nfs/dbraw/zinc/09/61/19/958096119.db2.gz	DCJJAXHSVJNVDN-UHFFFAOYSA-N	-1	0	294.238	0.823	20	30		CCEDRM
C#CCN(CC(=O)[O-])C(=O)COc1ccc(C=O)cc1	ZINC001588407473	958099271	/nfs/dbraw/zinc/09/92/71/958099271.db2.gz	OTIGLZBMCKOBBU-UHFFFAOYSA-N	-1	0	275.260	0.424	20	30		CCEDRM
C#CCN(CC(=O)[O-])C(=O)NCc1ccc(CC#N)cc1	ZINC001588409122	958123306	/nfs/dbraw/zinc/12/33/06/958123306.db2.gz	RSAAJBXFDLTLBF-UHFFFAOYSA-N	-1	0	285.303	0.982	20	30		CCEDRM
C#CCN(CC(=O)[O-])C(=O)Nc1c2ncnn2ccc1C	ZINC001588411167	958146129	/nfs/dbraw/zinc/14/61/29/958146129.db2.gz	OJLHFGDWSIRRNI-UHFFFAOYSA-N	-1	0	287.279	0.589	20	30		CCEDRM
C#CCN(CC(=O)[O-])C(=O)N[C@@H]1CCO[C@H]1CC	ZINC001588411148	958146275	/nfs/dbraw/zinc/14/62/75/958146275.db2.gz	NLBJJPGDOZARKV-ZJUUUORDSA-N	-1	0	254.286	0.283	20	30		CCEDRM
C#CCN(CC(=O)[O-])C(=O)Nc1cccc(NC=O)c1	ZINC001588412419	958152262	/nfs/dbraw/zinc/15/22/62/958152262.db2.gz	FIZXVMIFRVSGHY-UHFFFAOYSA-N	-1	0	275.264	0.807	20	30		CCEDRM
C#CCN(CC(=O)[O-])C(=O)c1cc([N+](=O)[O-])ccc1NC	ZINC001588416712	958166312	/nfs/dbraw/zinc/16/63/12/958166312.db2.gz	SFVUHPXWVQWDHJ-UHFFFAOYSA-N	-1	0	291.263	0.797	20	30		CCEDRM
C#CCN(CC(=O)[O-])C(=O)c1c(C)ccnc1OCC	ZINC001588417253	958169676	/nfs/dbraw/zinc/16/96/76/958169676.db2.gz	DVZSKPVNDCHPGU-UHFFFAOYSA-N	-1	0	276.292	0.949	20	30		CCEDRM
C#CCN(CC(=O)[O-])C(=O)Nc1ncn(C(C)(C)C)n1	ZINC001588417316	958170583	/nfs/dbraw/zinc/17/05/83/958170583.db2.gz	HZMQUZKVJAGBHD-UHFFFAOYSA-N	-1	0	279.300	0.585	20	30		CCEDRM
C#CCN(CC(=O)[O-])C(=O)c1cc(C2CC2)n(C)n1	ZINC001588417390	958173001	/nfs/dbraw/zinc/17/30/01/958173001.db2.gz	LSLDIEJCUWPWHD-UHFFFAOYSA-N	-1	0	261.281	0.458	20	30		CCEDRM
C#CCN(CC(=O)[O-])C(=O)c1cnn(CCCOC)c1	ZINC001588418519	958180866	/nfs/dbraw/zinc/18/08/66/958180866.db2.gz	KCWXPEBJVOPYQO-UHFFFAOYSA-N	-1	0	279.296	0.080	20	30		CCEDRM
C#CCN(CC(=O)[O-])C(=S)Nc1cnn(C)c1	ZINC001588419941	958197261	/nfs/dbraw/zinc/19/72/61/958197261.db2.gz	JEWVOKJSGSSHOT-UHFFFAOYSA-N	-1	0	252.299	0.137	20	30		CCEDRM
C#CCN(CC(=O)[O-])[C@H](C(=O)OC)c1cccc(OC)c1	ZINC001588420354	958203726	/nfs/dbraw/zinc/20/37/26/958203726.db2.gz	XEXMLCXFGRGGSB-AWEZNQCLSA-N	-1	0	291.303	0.929	20	30		CCEDRM
C#CCN(CC(=O)[O-])c1nnc(-c2cccnc2)n1CC	ZINC001588426200	958228004	/nfs/dbraw/zinc/22/80/04/958228004.db2.gz	BVDNCPJFDMHXLE-UHFFFAOYSA-N	-1	0	285.307	0.884	20	30		CCEDRM
C#CCN(CC(=O)[O-])c1nnc(-c2c[nH]cn2)n1CC=C	ZINC001588426714	958232210	/nfs/dbraw/zinc/23/22/10/958232210.db2.gz	ZZQCPRSLMAZIRK-UHFFFAOYSA-N	-1	0	286.295	0.378	20	30		CCEDRM
C#CCN1CCN(C(=O)[C@@H](C(=O)[O-])C2CCCC2)CC1	ZINC001588430960	958263856	/nfs/dbraw/zinc/26/38/56/958263856.db2.gz	RFLFSQPBSAMLTP-ZDUSSCGKSA-N	-1	0	278.352	0.655	20	30		CCEDRM
C#CCN1CCC[C@@H](NC(=O)C(C)(C)C(=O)[O-])C1	ZINC001588431000	958264202	/nfs/dbraw/zinc/26/42/02/958264202.db2.gz	RPSOLLOVMDSFSN-SNVBAGLBSA-N	-1	0	252.314	0.311	20	30		CCEDRM
C#CCOCCNC(=O)/C=C/c1ccc(C(=O)[O-])o1	ZINC001588431456	958270722	/nfs/dbraw/zinc/27/07/22/958270722.db2.gz	PNTHVPICRZMTKZ-GQCTYLIASA-N	-1	0	263.249	0.757	20	30		CCEDRM
C#CCOCCNC(=O)N[C@H]1CCC[C@H]1C(=O)[O-]	ZINC001588431587	958271711	/nfs/dbraw/zinc/27/17/11/958271711.db2.gz	PXVMFSLFNKEQFV-ZJUUUORDSA-N	-1	0	254.286	0.189	20	30		CCEDRM
C#CCN1CCC[C@@H](NC(=O)NC[C@@H](C)C(=O)[O-])C1	ZINC001588431528	958271755	/nfs/dbraw/zinc/27/17/55/958271755.db2.gz	ZWEBMBWKVFQOCH-GHMZBOCLSA-N	-1	0	267.329	0.104	20	30		CCEDRM
C#C[C@H]1CC[C@H](NC(=O)C(=O)N2CC[C@@H](C(=O)[O-])C2)CC1	ZINC001588433255	958294525	/nfs/dbraw/zinc/29/45/25/958294525.db2.gz	OGVBKPREIQBYPZ-IJLUTSLNSA-N	-1	0	292.335	0.228	20	30		CCEDRM
C=C(C)COCCNC(=O)[C@@H]1CCCN(CC(=O)[O-])C1=O	ZINC001588440259	958329509	/nfs/dbraw/zinc/32/95/09/958329509.db2.gz	RIXPUXAPJLWQTN-NSHDSACASA-N	-1	0	298.339	0.019	20	30		CCEDRM
C=C(C)C[C@H](NC(C)=O)C(=O)N1CCC(C(=O)[O-])CC1	ZINC001588441014	958332395	/nfs/dbraw/zinc/33/23/95/958332395.db2.gz	CDKJKHWHKGSSNA-LBPRGKRZSA-N	-1	0	282.340	0.781	20	30		CCEDRM
C=CC(C)(C)CNC(=O)c1cccn(CC(=O)[O-])c1=O	ZINC001588450440	958391678	/nfs/dbraw/zinc/39/16/78/958391678.db2.gz	KVTYWJYCMSKWHZ-UHFFFAOYSA-N	-1	0	278.308	0.875	20	30		CCEDRM
C=C[C@@](C)(O)CC(=O)N1CC[C@@](COC)(C(=O)[O-])C1	ZINC001588450987	958403056	/nfs/dbraw/zinc/40/30/56/958403056.db2.gz	JIWNFYIIRAXZBK-CHWSQXEVSA-N	-1	0	271.313	0.263	20	30		CCEDRM
C=C[C@H](COC)NC(=O)N(CCOC)CCC(=O)[O-]	ZINC001588451435	958412347	/nfs/dbraw/zinc/41/23/47/958412347.db2.gz	WUEVMEBMMTYUEF-SNVBAGLBSA-N	-1	0	274.317	0.320	20	30		CCEDRM
C=CCC[C@H](CO)NC(=O)[C@](C)(C#N)CC(=O)[O-]	ZINC001588457239	958445897	/nfs/dbraw/zinc/44/58/97/958445897.db2.gz	RDGWPYQQSJBJKU-SKDRFNHKSA-N	-1	0	254.286	0.434	20	30		CCEDRM
C=CC[C@@H](NC(=O)c1cnc(C(=O)[O-])cn1)C(=O)OCC	ZINC001588458174	958460177	/nfs/dbraw/zinc/46/01/77/958460177.db2.gz	RISXPDNQELCWMH-MRVPVSSYSA-N	-1	0	293.279	0.412	20	30		CCEDRM
C=CCN1CC[C@@H](N(C)C(=O)C2(CC(=O)[O-])CCC2)C1=O	ZINC001588463943	958486509	/nfs/dbraw/zinc/48/65/09/958486509.db2.gz	CIOBLMILCUROIT-LLVKDONJSA-N	-1	0	294.351	0.877	20	30		CCEDRM
C=CCNc1ncc(C(=O)N[C@]2(C(=O)[O-])CCOC2)s1	ZINC001588465091	958496492	/nfs/dbraw/zinc/49/64/92/958496492.db2.gz	IBQGCBDWDYGGNO-GFCCVEGCSA-N	-1	0	297.336	0.715	20	30		CCEDRM
C=CCNC(=O)NC(=O)[C@H](C)S[C@H](C)C(=O)[O-]	ZINC001588465661	958506924	/nfs/dbraw/zinc/50/69/24/958506924.db2.gz	WGVQSLYZUVMTBZ-NKWVEPMBSA-N	-1	0	260.315	0.593	20	30		CCEDRM
C=CCO[C@H]1CCN(C(=O)[C@@H]2CC[C@H]2C(=O)[O-])C1	ZINC001573336486	958518385	/nfs/dbraw/zinc/51/83/85/958518385.db2.gz	AYSZVGADAUNEIC-HBNTYKKESA-N	-1	0	253.298	0.901	20	30		CCEDRM
C=CCn1c([C@H](C)CO)nnc1N1CCC(C(=O)[O-])CC1	ZINC001588470166	958523691	/nfs/dbraw/zinc/52/36/91/958523691.db2.gz	FWORRCCGDKVQFT-SNVBAGLBSA-N	-1	0	294.355	0.861	20	30		CCEDRM
CC#CC[C@@H](CO)NC(=O)NCCCCC(=O)[O-]	ZINC001573340226	958534946	/nfs/dbraw/zinc/53/49/46/958534946.db2.gz	NCPATWLEPNPSHW-JTQLQIEISA-N	-1	0	256.302	0.315	20	30		CCEDRM
C=CCn1c(N2CC[C@](C)(C(=O)[O-])C2)nnc1C(C)(C)O	ZINC001588472461	958543355	/nfs/dbraw/zinc/54/33/55/958543355.db2.gz	MVRCBNVDSDMDSB-AWEZNQCLSA-N	-1	0	294.355	0.993	20	30		CCEDRM
C=CCn1c([C@@H](C)O)nnc1N1CC[C@@H](C(=O)[O-])C1	ZINC001588475014	958560097	/nfs/dbraw/zinc/56/00/97/958560097.db2.gz	SQLVVOPIEOFBHH-RKDXNWHRSA-N	-1	0	266.301	0.428	20	30		CCEDRM
CC#CCn1nnnc1N1C[C@H](C)C[C@@H](C(=O)[O-])C1	ZINC001588480252	958585382	/nfs/dbraw/zinc/58/53/82/958585382.db2.gz	MZRJQASITMESNU-NXEZZACHSA-N	-1	0	263.301	0.243	20	30		CCEDRM
C[C@](C#N)(CC(=O)[O-])C(=O)N1C[C@@H]2CCC[C@]2(C(N)=O)C1	ZINC001573359529	958585696	/nfs/dbraw/zinc/58/56/96/958585696.db2.gz	BOFRRYSSQWMWBJ-FZZIBODNSA-N	-1	0	293.323	0.105	20	30		CCEDRM
C[C@H](C(=O)Nc1ccnc(C(=O)[O-])c1)n1cnc(C#N)n1	ZINC001573362700	958601872	/nfs/dbraw/zinc/60/18/72/958601872.db2.gz	FWSNEGBWHLUWDS-SSDOTTSWSA-N	-1	0	286.251	0.443	20	30		CCEDRM
C[C@@](C#N)(CC(=O)[O-])C(=O)Nc1ccn2nccc2n1	ZINC001573362930	958602902	/nfs/dbraw/zinc/60/29/02/958602902.db2.gz	HHCQXCNBOYCESU-LBPRGKRZSA-N	-1	0	273.252	0.672	20	30		CCEDRM
N#Cc1cccc(C(=O)N2CCOC[C@@H]2CC(=O)[O-])c1	ZINC000129377992	958702739	/nfs/dbraw/zinc/70/27/39/958702739.db2.gz	GICCWJBLTLQOTN-LBPRGKRZSA-N	-1	0	274.276	0.874	20	30		CCEDRM
C[C@@](C#N)(CC(=O)[O-])C(=O)N1CC[C@](O)(C(F)F)C1	ZINC001588536798	958935721	/nfs/dbraw/zinc/93/57/21/958935721.db2.gz	ZOOUULGTJBUAAV-WDEREUQCSA-N	-1	0	276.239	0.219	20	30		CCEDRM
C[C@](C#N)(CC(=O)[O-])C(=O)OC[C@H]1C[C@]12CCOC2	ZINC001588540426	958961771	/nfs/dbraw/zinc/96/17/71/958961771.db2.gz	ZJMOGDNPNSWQSA-WQAKAFBOSA-N	-1	0	267.281	0.961	20	30		CCEDRM
C[C@@H](C#N)C(=O)Nc1cnn(C(C)(C)C(=O)[O-])c1	ZINC001588543348	958977896	/nfs/dbraw/zinc/97/78/96/958977896.db2.gz	KYSPBXQZDNQQTL-ZETCQYMHSA-N	-1	0	250.258	0.801	20	30		CCEDRM
C[C@@H](C(=O)N1CCC[C@@H](CC(=O)[O-])C1)n1cnc(C#N)n1	ZINC001588549612	959012070	/nfs/dbraw/zinc/01/20/70/959012070.db2.gz	ZIMSHYZWGJIGCR-UWVGGRQHSA-N	-1	0	291.311	0.424	20	30		CCEDRM
C#CC[C@@H](NC(=O)c1ccc([N+](=O)[O-])o1)C(=O)[O-]	ZINC000149827106	959028391	/nfs/dbraw/zinc/02/83/91/959028391.db2.gz	FQCMJLGFONVBDZ-ZCFIWIBFSA-N	-1	0	252.182	0.394	20	30		CCEDRM
C#CC[C@@H](NC(=O)c1[nH]nc2ccccc21)C(=O)[O-]	ZINC000149932869	959031167	/nfs/dbraw/zinc/03/11/67/959031167.db2.gz	BNKWPOLSNQZQBU-SNVBAGLBSA-N	-1	0	257.249	0.769	20	30		CCEDRM
Cc1cnc(COC(=O)[C@@](C)(C#N)CC(=O)[O-])nc1	ZINC001594429014	959157435	/nfs/dbraw/zinc/15/74/35/959157435.db2.gz	QOWJSWGFRQVENQ-GFCCVEGCSA-N	-1	0	263.253	0.833	20	30		CCEDRM
C#CC[C@H](NS(=O)(=O)c1ccc(C)c(F)c1)C(=O)[O-]	ZINC000161249337	959178125	/nfs/dbraw/zinc/17/81/25/959178125.db2.gz	ZCTUXBAVVABJBQ-NSHDSACASA-N	-1	0	285.296	0.889	20	30		CCEDRM
C[C@@H](C(=O)[O-])C(=O)NCCNc1ncccc1C#N	ZINC001588572778	959193888	/nfs/dbraw/zinc/19/38/88/959193888.db2.gz	OZDUSBFXYPWPKG-MRVPVSSYSA-N	-1	0	262.269	0.202	20	30		CCEDRM
C[C@@H](C(=O)[O-])C(=O)NCc1ccc(C(=O)NO)cc1	ZINC001588573997	959206374	/nfs/dbraw/zinc/20/63/74/959206374.db2.gz	RMGPDULQKOYGSE-SSDOTTSWSA-N	-1	0	266.253	0.143	20	30		CCEDRM
C[C@H](C(=O)[O-])C(=O)OCCOC1(C#N)CCOCC1	ZINC001588580439	959251389	/nfs/dbraw/zinc/25/13/89/959251389.db2.gz	OWBIXDDZJPHDLC-SECBINFHSA-N	-1	0	271.269	0.340	20	30		CCEDRM
C[C@@H](C(=O)[O-])N(C(=O)[C@H](C)n1cnc(C#N)n1)C1CC1	ZINC001588582506	959270895	/nfs/dbraw/zinc/27/08/95/959270895.db2.gz	KYBDIBVYLWUSPZ-YUMQZZPRSA-N	-1	0	277.284	0.175	20	30		CCEDRM
Cc1c(C(=O)N2CCOC[C@@H]2C(=O)[O-])cnn1CCC#N	ZINC001594257839	959669599	/nfs/dbraw/zinc/66/95/99/959669599.db2.gz	PZXPDSRCRTZCTD-LLVKDONJSA-N	-1	0	292.295	0.031	20	30		CCEDRM
CCC(CC)(CNC(=O)[C@@H](C)n1cnc(C#N)n1)C(=O)[O-]	ZINC001573684639	959744981	/nfs/dbraw/zinc/74/49/81/959744981.db2.gz	AGOWZNHGURAMCG-SECBINFHSA-N	-1	0	293.327	0.718	20	30		CCEDRM
CC(C)[C@@H](C(=O)[O-])C(=O)O[C@H](C)C(=O)NC1(C#N)CCC1	ZINC001603268364	972465244	/nfs/dbraw/zinc/46/52/44/972465244.db2.gz	HGSVRFXSCOMJSR-ZJUUUORDSA-N	-1	0	296.323	0.837	20	30		CCEDRM
N#Cc1c(CN2C[C@@H](O)C[C@H]2C(=O)[O-])cn2ccccc12	ZINC000229089245	960057059	/nfs/dbraw/zinc/05/70/59/960057059.db2.gz	HCISQLAAFJPINR-FZMZJTMJSA-N	-1	0	285.303	0.831	20	30		CCEDRM
CN(C(C)(C)C(=O)[O-])S(=O)(=O)c1cccnc1C#N	ZINC000234274344	960347252	/nfs/dbraw/zinc/34/72/52/960347252.db2.gz	VWHLDNGVJXDZPM-UHFFFAOYSA-N	-1	0	283.309	0.437	20	30		CCEDRM
CN(CCC(=O)[O-])S(=O)(=O)c1cccnc1C#N	ZINC000234299825	960348580	/nfs/dbraw/zinc/34/85/80/960348580.db2.gz	ALYCXGWUMPKDLH-UHFFFAOYSA-N	-1	0	269.282	0.048	20	30		CCEDRM
COc1cc(CN2C[C@H](O)C[C@@H]2C(=O)[O-])ccc1C#N	ZINC000235012332	960381363	/nfs/dbraw/zinc/38/13/63/960381363.db2.gz	KYGDBPZELBZKIU-VXGBXAGGSA-N	-1	0	276.292	0.587	20	30		CCEDRM
N#C[C@H]1CC[C@@H](NS(=O)(=O)CC2(CC(=O)[O-])CC2)C1	ZINC001571028998	960451814	/nfs/dbraw/zinc/45/18/14/960451814.db2.gz	FCRWFFVOBBWVFB-VHSXEESVSA-N	-1	0	286.353	0.853	20	30		CCEDRM
N#Cc1cccc(C(=O)N[C@@H](C[C@@H]2CCCO2)C(=O)[O-])n1	ZINC001571035001	960518765	/nfs/dbraw/zinc/51/87/65/960518765.db2.gz	FWVYEUDQEIFYND-JQWIXIFHSA-N	-1	0	289.291	0.705	20	30		CCEDRM
C[C@H](CC#N)N(C)S(=O)(=O)N[C@H]1CC[C@@H](C(=O)[O-])C1	ZINC001571036713	960543207	/nfs/dbraw/zinc/54/32/07/960543207.db2.gz	ZRZYUZGKNCIBAG-BBBLOLIVSA-N	-1	0	289.357	0.308	20	30		CCEDRM
CC(C)C[C@H](NC(=O)CNc1nnccc1C#N)C(=O)[O-]	ZINC001571040453	960563612	/nfs/dbraw/zinc/56/36/12/960563612.db2.gz	GBJKUGDIMOICFM-JTQLQIEISA-N	-1	0	291.311	0.376	20	30		CCEDRM
CNC(=O)COc1cc(C(=O)[O-])ccc1NC(=O)CC#N	ZINC001571041310	960581104	/nfs/dbraw/zinc/58/11/04/960581104.db2.gz	KXZLXSZANQUTBB-UHFFFAOYSA-N	-1	0	291.263	0.362	20	30		CCEDRM
Cc1c(C#N)c(NC(=O)[C@@H]2CC[C@H]2C(=O)[O-])nn1C	ZINC001574299079	960720281	/nfs/dbraw/zinc/72/02/81/960720281.db2.gz	WYCBOYWPYBULMT-HTQZYQBOSA-N	-1	0	262.269	0.650	20	30		CCEDRM
CCC[C@H](CCO)CNC(=O)[C@@](C)(C#N)CC(=O)[O-]	ZINC001573836408	961056605	/nfs/dbraw/zinc/05/66/05/961056605.db2.gz	SJKKQXRDHZODJS-ZWNOBZJWSA-N	-1	0	270.329	0.906	20	30		CCEDRM
CC(C)(C)SCn1c(=O)c(C#N)cn(CC(=O)[O-])c1=O	ZINC001588738249	961138342	/nfs/dbraw/zinc/13/83/42/961138342.db2.gz	GICFXZIIVLLOKZ-UHFFFAOYSA-N	-1	0	297.336	0.455	20	30		CCEDRM
CCN(CCC#N)S(=O)(=O)N[C@H]1CCC[C@H]1C(=O)[O-]	ZINC001573879598	961268484	/nfs/dbraw/zinc/26/84/84/961268484.db2.gz	LEIVIUFZBMADHX-ZJUUUORDSA-N	-1	0	289.357	0.310	20	30		CCEDRM
CC(C)[C@@H](C(=O)[O-])C(=O)NCCNc1ccc(C#N)cn1	ZINC001588805154	961474959	/nfs/dbraw/zinc/47/49/59/961474959.db2.gz	QBCOHHMIODTGNS-GFCCVEGCSA-N	-1	0	290.323	0.838	20	30		CCEDRM
N#Cc1n[nH]cc1NC(=O)[C@@H]1CO[C@H](CCC(=O)[O-])C1	ZINC001574479649	961652277	/nfs/dbraw/zinc/65/22/77/961652277.db2.gz	NTBINPZAYDIZHY-JGVFFNPUSA-N	-1	0	278.268	0.490	20	30		CCEDRM
N#CC1(CC(=O)N2C[C@H]3COC[C@@]3(C(=O)[O-])C2)CC1	ZINC001574480579	961664219	/nfs/dbraw/zinc/66/42/19/961664219.db2.gz	MJJGSLWWGGGDJR-ZANVPECISA-N	-1	0	264.281	0.240	20	30		CCEDRM
N#CC[C@H](NC(=O)[C@@H]1CC(C(=O)[O-])=NO1)C(F)(F)F	ZINC001574481142	961669230	/nfs/dbraw/zinc/66/92/30/961669230.db2.gz	VHWLMDGPBJFMOY-WDSKDSINSA-N	-1	0	279.174	0.177	20	30		CCEDRM
N#Cc1ccc(C(=O)Nc2ccnc(C(=O)[O-])c2)o1	ZINC001574485276	961675898	/nfs/dbraw/zinc/67/58/98/961675898.db2.gz	DIFOQWHEXGXJLZ-UHFFFAOYSA-N	-1	0	257.205	0.919	20	30		CCEDRM
N#Cc1ccc(NCC(=O)N2CC[C@@H](C(=O)[O-])C2)nc1	ZINC001574488207	961693338	/nfs/dbraw/zinc/69/33/38/961693338.db2.gz	NDAPALGXGSKTCU-SNVBAGLBSA-N	-1	0	274.280	0.298	20	30		CCEDRM
N#Cc1ccc(F)c(NC(=O)c2cn(CC(=O)[O-])nn2)c1	ZINC001574488230	961693653	/nfs/dbraw/zinc/69/36/53/961693653.db2.gz	OJTPOVYXGZHZNV-UHFFFAOYSA-N	-1	0	289.226	0.626	20	30		CCEDRM
N#Cc1ccc(CNC(=O)c2cn(CC(=O)[O-])nn2)s1	ZINC001574488997	961699666	/nfs/dbraw/zinc/69/96/66/961699666.db2.gz	VXXQJKSCVWKPRR-UHFFFAOYSA-N	-1	0	291.292	0.226	20	30		CCEDRM
C=CCCCCNC(=O)C(=O)N[C@H]1C[C@H](C(=O)[O-])C1	ZINC001337274706	961978819	/nfs/dbraw/zinc/97/88/19/961978819.db2.gz	IUVBUOMURAAMDN-MGCOHNPYSA-N	-1	0	268.313	0.438	20	30		CCEDRM
CC(C)CCN(CCC#N)CCS(=O)(=O)CC(=O)[O-]	ZINC001588867789	962030932	/nfs/dbraw/zinc/03/09/32/962030932.db2.gz	CFFKWHGNWXUEBF-UHFFFAOYSA-N	-1	0	290.385	0.748	20	30		CCEDRM
CO[C@H](C(=O)[O-])C(=O)Nc1cc(C)n(CCC#N)n1	ZINC001574104812	962425513	/nfs/dbraw/zinc/42/55/13/962425513.db2.gz	JBWWGRDGHDMMLN-VIFPVBQESA-N	-1	0	266.257	0.143	20	30		CCEDRM
C#C[C@@H](NC(=O)C(=C)CCC(=O)[O-])[C@@H]1CCCO1	ZINC001573302859	962664927	/nfs/dbraw/zinc/66/49/27/962664927.db2.gz	RHEQPKXHKCATKU-MNOVXSKESA-N	-1	0	251.282	0.704	20	30		CCEDRM
C#CCCCC(=O)NC1(CNC(=O)CNC(=O)[O-])CCC1	ZINC001573303787	962681786	/nfs/dbraw/zinc/68/17/86/962681786.db2.gz	SQRKVNANIRVKAO-UHFFFAOYSA-N	-1	0	295.339	0.213	20	30		CCEDRM
C#CCOCCN(C)S(=O)(=O)CC(C)(C)C(=O)[O-]	ZINC001573310617	962688676	/nfs/dbraw/zinc/68/86/76/962688676.db2.gz	ACZWQDQRBIEWPZ-UHFFFAOYSA-N	-1	0	277.342	0.009	20	30		CCEDRM
C=C(CCC(=O)[O-])C(=O)Nc1cc(C(N)=O)n(C)c1	ZINC001573336845	962862720	/nfs/dbraw/zinc/86/27/20/962862720.db2.gz	HGQRFZRJKRWKSX-UHFFFAOYSA-N	-1	0	265.269	0.484	20	30		CCEDRM
C=C(CCC(=O)OC)C(=O)N[C@](C)(CC)C(=O)[O-]	ZINC001573338417	962873486	/nfs/dbraw/zinc/87/34/86/962873486.db2.gz	ABJAZTXGJNZBCZ-GFCCVEGCSA-N	-1	0	257.286	0.865	20	30		CCEDRM
C=C(Cl)CN(C)CCNC(=O)[C@@H]1C[C@@H]1C(=O)[O-]	ZINC001573338601	962877723	/nfs/dbraw/zinc/87/77/23/962877723.db2.gz	FDQMNRNJHNAXEV-BDAKNGLRSA-N	-1	0	260.721	0.508	20	30		CCEDRM
C=C(Cl)CN1CCC(NC(=O)CNC(=O)[O-])CC1	ZINC001573338998	962886097	/nfs/dbraw/zinc/88/60/97/962886097.db2.gz	MJEUWJJTEVNYAN-UHFFFAOYSA-N	-1	0	275.736	0.587	20	30		CCEDRM
C=C[C@H](COC)NC(=O)N1C[C@H](C)O[C@H](C(=O)[O-])C1	ZINC001573346552	962940515	/nfs/dbraw/zinc/94/05/15/962940515.db2.gz	CBCMOHASKGINJW-AEJSXWLSSA-N	-1	0	272.301	0.071	20	30		CCEDRM
C=CC(C)(C)CC(=O)NC[C@@H](C)NC(=O)CNC(=O)[O-]	ZINC001573346569	962941050	/nfs/dbraw/zinc/94/10/50/962941050.db2.gz	CNNQPXCPWVYQKY-SECBINFHSA-N	-1	0	285.344	0.477	20	30		CCEDRM
C=C[C@@H](C)[C@@H](C)C(=O)NC1(CNC(=O)CNC(=O)[O-])CC1	ZINC001573346625	962942684	/nfs/dbraw/zinc/94/26/84/962942684.db2.gz	FHNSFEDGSLMEAE-NXEZZACHSA-N	-1	0	297.355	0.477	20	30		CCEDRM
C[C@H](CC#N)NS(=O)(=O)c1occc1C(=O)[O-]	ZINC001570980554	963085247	/nfs/dbraw/zinc/08/52/47/963085247.db2.gz	UUHNLSUUXQQIHU-ZCFIWIBFSA-N	-1	0	258.255	0.558	20	30		CCEDRM
C=C[C@@H]1OCC[C@H]1C(=O)N1CCO[C@@H](CC(=O)[O-])C1	ZINC001573379519	963108252	/nfs/dbraw/zinc/10/82/52/963108252.db2.gz	LSUZVIKOUNJXFT-AXFHLTTASA-N	-1	0	269.297	0.280	20	30		CCEDRM
C[C@@H](CC#N)N(C)S(=O)(=O)c1cc(C(=O)[O-])[nH]n1	ZINC001570998739	963197994	/nfs/dbraw/zinc/19/79/94/963197994.db2.gz	IEFWSDOSRZHJCU-LURJTMIESA-N	-1	0	272.286	0.031	20	30		CCEDRM
Cc1nnc(NC[C@@]2(C(=O)[O-])CCOC2)c(C#N)c1C	ZINC001571005543	963239224	/nfs/dbraw/zinc/23/92/24/963239224.db2.gz	NSLRGRJZNLCHPH-ZDUSSCGKSA-N	-1	0	276.296	0.868	20	30		CCEDRM
Cc1nnc(NC[C@]2(C(=O)[O-])CCOC2)c(C#N)c1C	ZINC001571005541	963239919	/nfs/dbraw/zinc/23/99/19/963239919.db2.gz	NSLRGRJZNLCHPH-CYBMUJFWSA-N	-1	0	276.296	0.868	20	30		CCEDRM
N#Cc1ccc(S(=O)(=O)N[C@H]2CC[C@H]2C(=O)[O-])cc1	ZINC001571013558	963300736	/nfs/dbraw/zinc/30/07/36/963300736.db2.gz	MAQLTMKEVQKQCH-MNOVXSKESA-N	-1	0	280.305	0.700	20	30		CCEDRM
C[C@H]1CN(C(=O)[C@]2(C#N)CCCOC2)C[C@]1(C)C(=O)[O-]	ZINC001571013767	963303836	/nfs/dbraw/zinc/30/38/36/963303836.db2.gz	PSJBCHAZALUIQY-BPNCWPANSA-N	-1	0	280.324	0.876	20	30		CCEDRM
CC[C@](C)(NS(=O)(=O)c1cncc(C#N)c1)C(=O)[O-]	ZINC000312049577	963531160	/nfs/dbraw/zinc/53/11/60/963531160.db2.gz	BJPYJKJJADEPPG-NSHDSACASA-N	-1	0	283.309	0.485	20	30		CCEDRM
N#CCCN1CCN(C(=O)[C@@H]2CCC[C@@H](C(=O)[O-])C2)CC1	ZINC000314624750	963779089	/nfs/dbraw/zinc/77/90/89/963779089.db2.gz	KWLANRFUWMJIPA-CHWSQXEVSA-N	-1	0	293.367	0.935	20	30		CCEDRM
C#CCCCC(=O)N1CC[C@@H](C(=O)[O-])C[C@@H]1C(=O)OC	ZINC001588435475	964022469	/nfs/dbraw/zinc/02/24/69/964022469.db2.gz	RSPHHTVAMPJEII-GHMZBOCLSA-N	-1	0	281.308	0.655	20	30		CCEDRM
C#CCCCC(=O)N1CC[C@@H](C(=O)[O-])C[C@H]1C(=O)OC	ZINC001588435476	964022706	/nfs/dbraw/zinc/02/27/06/964022706.db2.gz	RSPHHTVAMPJEII-MNOVXSKESA-N	-1	0	281.308	0.655	20	30		CCEDRM
C=C(C)CNC(=O)C(=O)Nc1ccccc1CC(=O)[O-]	ZINC001588439584	964030062	/nfs/dbraw/zinc/03/00/62/964030062.db2.gz	DNYSBCFCDLPJIP-UHFFFAOYSA-N	-1	0	276.292	0.945	20	30		CCEDRM
C=C(CCC(=O)OC)C(=O)N1CCC(C(=O)[O-])CC1	ZINC001588444503	964064171	/nfs/dbraw/zinc/06/41/71/964064171.db2.gz	FZMRERRAVAQGJG-UHFFFAOYSA-N	-1	0	269.297	0.819	20	30		CCEDRM
C#CCCCNC(=O)N1C[C@H](C)O[C@H](C(=O)[O-])C1	ZINC001588446313	964071356	/nfs/dbraw/zinc/07/13/56/964071356.db2.gz	HAJYEKDDKPVAHU-UWVGGRQHSA-N	-1	0	254.286	0.283	20	30		CCEDRM
C#CCN(CC(=O)[O-])C(=O)N[C@@H](C)c1cccnc1	ZINC000092484008	967597116	/nfs/dbraw/zinc/59/71/16/967597116.db2.gz	URYBLSNDDLTJHH-JTQLQIEISA-N	-1	0	261.281	0.872	20	30		CCEDRM
C#CCN(CC(=O)[O-])Cc1ccc(S(C)(=O)=O)cc1	ZINC000306074715	967919635	/nfs/dbraw/zinc/91/96/35/967919635.db2.gz	YMXGBOOHDZDQEL-UHFFFAOYSA-N	-1	0	281.333	0.610	20	30		CCEDRM
O=C([O-])[C@]1(C(=O)N[C@H]2CCCN(O)C2=O)CC=CCC1	ZINC001606555349	970339242	/nfs/dbraw/zinc/33/92/42/970339242.db2.gz	KMUWWMXOIWDDLI-TVQRCGJNSA-N	-1	0	282.296	0.294	20	30		CCEDRM
CC[C@H](OC(=O)[C@@H](C)n1cnc(C#N)n1)C(=O)[O-]	ZINC001610152494	970688001	/nfs/dbraw/zinc/68/80/01/970688001.db2.gz	YTKVIKCEXPBEEJ-RQJHMYQMSA-N	-1	0	252.230	0.117	20	30		CCEDRM
CCOC1CC(O)(CNC(=O)[C@](C)(C#N)CC(=O)[O-])C1	ZINC001610341948	970726980	/nfs/dbraw/zinc/72/69/80/970726980.db2.gz	LBUHPDQXSQTVNT-YHECAPGISA-N	-1	0	284.312	0.037	20	30		CCEDRM
CC1CC(C#N)(C(=O)N2C[C@@H]3COC[C@]3(C(=O)[O-])C2)C1	ZINC001603354068	972784761	/nfs/dbraw/zinc/78/47/61/972784761.db2.gz	FJAKOTSNRXDKLY-SIYXEMFVSA-N	-1	0	278.308	0.486	20	30		CCEDRM
CO[C@H](CNC(=O)[C@](C)(C#N)CC(=O)[O-])[C@@H]1CCOC1	ZINC001604471084	973344072	/nfs/dbraw/zinc/34/40/72/973344072.db2.gz	KKUHEXNTFDLPCY-BREBYQMCSA-N	-1	0	284.312	0.159	20	30		CCEDRM
C[C@@H]1OCC[C@H]1COC(=O)[C@@](C)(C#N)CC(=O)[O-]	ZINC001603479517	973375580	/nfs/dbraw/zinc/37/55/80/973375580.db2.gz	DDUMYNGEFNHFLO-HOTUBEGUSA-N	-1	0	255.270	0.959	20	30		CCEDRM
Cc1ncc(COC(=O)[C@](C)(C#N)CC(=O)[O-])cn1	ZINC001605421378	973446407	/nfs/dbraw/zinc/44/64/07/973446407.db2.gz	VZCAFOZSAHZSGD-LBPRGKRZSA-N	-1	0	263.253	0.833	20	30		CCEDRM
Cn1nc(C(=O)[O-])cc1C(=O)N1CCC[C@](C)(C#N)C1	ZINC001605532943	973719485	/nfs/dbraw/zinc/71/94/85/973719485.db2.gz	MGODQRUQPSSVJA-CYBMUJFWSA-N	-1	0	276.296	0.884	20	30		CCEDRM
N#CC1(NC(=O)COC(=O)[C@@H](C(=O)[O-])C2CC2)CCC1	ZINC001605583540	973873187	/nfs/dbraw/zinc/87/31/87/973873187.db2.gz	VHDRZLHSOZQLGX-SNVBAGLBSA-N	-1	0	280.280	0.203	20	30		CCEDRM
N#CCN1CCC(NC(=O)[C@@]2(C(=O)[O-])CC=CCC2)CC1	ZINC001605586406	973880935	/nfs/dbraw/zinc/88/09/35/973880935.db2.gz	UTUITHULXHAEGZ-OAHLLOKOSA-N	-1	0	291.351	0.902	20	30		CCEDRM
N#Cc1ccc(C(=O)OCCOCCC(=O)[O-])cn1	ZINC001605601995	973908365	/nfs/dbraw/zinc/90/83/65/973908365.db2.gz	JYFANCCSYSWVNJ-UHFFFAOYSA-N	-1	0	264.237	0.601	20	30		CCEDRM
N#Cc1ccsc1NC(=O)N1CCO[C@H](C(=O)[O-])C1	ZINC001605623136	973948803	/nfs/dbraw/zinc/94/88/03/973948803.db2.gz	XGLDWLYUZDSOLY-QMMMGPOBSA-N	-1	0	281.293	0.937	20	30		CCEDRM
N#Cc1csc(CN2CCOC[C@H]2C(=O)[O-])n1	ZINC001605625946	973949939	/nfs/dbraw/zinc/94/99/39/973949939.db2.gz	DCWBLLGRCPNPGI-QMMMGPOBSA-N	-1	0	253.283	0.300	20	30		CCEDRM
CN(C(=O)c1cnc(C(=O)[O-])cn1)[C@H]1CCC[C@H]1C#N	ZINC001604041651	974571167	/nfs/dbraw/zinc/57/11/67/974571167.db2.gz	UNNWAUXVRUNVJN-KWQFWETISA-N	-1	0	274.280	0.939	20	30		CCEDRM
CC(C)[C@H](C(=O)N1CCC(C#N)(C(=O)[O-])CC1)[NH+](C)C	ZINC001591852618	976137595	/nfs/dbraw/zinc/13/75/95/976137595.db2.gz	SNILPSNJCSAKRA-LLVKDONJSA-N	-1	0	281.356	0.790	20	30		CCEDRM
C[C@@H](/C=C/C(=O)[O-])NC(=O)CC1(C#N)CCOCC1	ZINC001592189985	977122454	/nfs/dbraw/zinc/12/24/54/977122454.db2.gz	CDVUWORQWGAEBF-PBKGFPTLSA-N	-1	0	266.297	0.842	20	30		CCEDRM
C[C@@H](CC#N)C(=O)N[C@@H](C(=O)[O-])c1ccnn1C	ZINC001592210239	977253385	/nfs/dbraw/zinc/25/33/85/977253385.db2.gz	BTTGSPKGSPYBCC-IONNQARKSA-N	-1	0	250.258	0.212	20	30		CCEDRM
C[C@H](CC#N)C(=O)N1CCC[C@@H](n2cc(C(=O)[O-])nn2)C1	ZINC001592210737	977256211	/nfs/dbraw/zinc/25/62/11/977256211.db2.gz	GKBYVKCPOLPSBH-NXEZZACHSA-N	-1	0	291.311	0.690	20	30		CCEDRM
CC(CCC(=O)[O-])N=Nc1ccc(C(N)=O)nn1	ZINC001592471275	978230434	/nfs/dbraw/zinc/23/04/34/978230434.db2.gz	XGYMSKGIZIUVME-UHFFFAOYSA-N	-1	0	251.246	0.228	20	30		CCEDRM
CC[C@@H](C(=O)[O-])C(=O)N1CCN([C@@H](C#N)C(C)C)CC1	ZINC001594745109	981629608	/nfs/dbraw/zinc/62/96/08/981629608.db2.gz	LCHFRLPVAUVKOY-NEPJUHHUSA-N	-1	0	281.356	0.790	20	30		CCEDRM
CC[C@@](C)(C#N)C(=O)Nc1cnn(CC(=O)[O-])c1	ZINC001594778539	981778815	/nfs/dbraw/zinc/77/88/15/981778815.db2.gz	VAVPMUACKXQOGT-NSHDSACASA-N	-1	0	250.258	0.846	20	30		CCEDRM
CC[C@H](C)C[C@@H](NC(=O)Cn1cnc(C#N)n1)C(=O)[O-]	ZINC001573674402	983081372	/nfs/dbraw/zinc/08/13/72/983081372.db2.gz	WDWBRMADOJNAEB-DTWKUNHWSA-N	-1	0	279.300	0.155	20	30		CCEDRM
C#CC(C)(C)NS(=O)(=O)c1ccc(C#N)cc1C(=O)[O-]	ZINC001588367489	983299235	/nfs/dbraw/zinc/29/92/35/983299235.db2.gz	VWOILWQGBGUJFL-UHFFFAOYSA-N	-1	0	292.316	0.947	20	30		CCEDRM
C#C[C@@H](C)NS(=O)(=O)CC1(C(=O)[O-])CCCCC1	ZINC001588368334	983305787	/nfs/dbraw/zinc/30/57/87/983305787.db2.gz	KLLFCWDPKSWRJD-SNVBAGLBSA-N	-1	0	273.354	0.963	20	30		CCEDRM
C#C[C@H](CO)NCc1c(C)nn(CCC(=O)[O-])c1C	ZINC001588370693	983321690	/nfs/dbraw/zinc/32/16/90/983321690.db2.gz	LGXWTWNUSGQIKL-LLVKDONJSA-N	-1	0	265.313	0.058	20	30		CCEDRM
C#C[C@@H](CCC)NS(=O)(=O)c1ccc(C(=O)[O-])nc1	ZINC001588371239	983325715	/nfs/dbraw/zinc/32/57/15/983325715.db2.gz	ZSOCPZJQRKAGOV-VIFPVBQESA-N	-1	0	282.321	0.860	20	30		CCEDRM
C#C[C@H](NC(=O)NCC(C)(C)C(=O)[O-])[C@@H]1CCCO1	ZINC001588372369	983330719	/nfs/dbraw/zinc/33/07/19/983330719.db2.gz	JDGQMJRRUZREHD-UWVGGRQHSA-N	-1	0	268.313	0.577	20	30		CCEDRM
C#CC1(NS(=O)(=O)c2cc(C(=O)[O-])cn2C)CCCC1	ZINC001588379283	983363763	/nfs/dbraw/zinc/36/37/63/983363763.db2.gz	BLOUWDSXMYSJFA-UHFFFAOYSA-N	-1	0	296.348	0.948	20	30		CCEDRM
C#CC1(O)CCN(C(=O)C23CC(C(=O)[O-])(C2)C3)CC1	ZINC001588379522	983364902	/nfs/dbraw/zinc/36/49/02/983364902.db2.gz	JVVHDDPLSQHMTM-UHFFFAOYSA-N	-1	0	263.293	0.228	20	30		CCEDRM
C#C[C@@H]1COCCN1S(=O)(=O)c1occc1C(=O)[O-]	ZINC001588383735	983383920	/nfs/dbraw/zinc/38/39/20/983383920.db2.gz	JCTCCNWWBTVCLW-MRVPVSSYSA-N	-1	0	285.277	0.001	20	30		CCEDRM
C#C[C@H]1COCCN1CC(=O)Nc1ccc(C(=O)[O-])cc1	ZINC001588383777	983384144	/nfs/dbraw/zinc/38/41/44/983384144.db2.gz	KJWYUARCBPQCGO-ZDUSSCGKSA-N	-1	0	288.303	0.657	20	30		CCEDRM
C#CC[C@H](CCOC)NC(=O)NC[C@H](F)C(=O)[O-]	ZINC001588393412	983397486	/nfs/dbraw/zinc/39/74/86/983397486.db2.gz	FREYVACVDYTKTQ-BDAKNGLRSA-N	-1	0	260.265	0.137	20	30		CCEDRM
C#CC[C@H](NC(=O)C(=O)NCc1ccc(F)cc1)C(=O)[O-]	ZINC001588394581	983402814	/nfs/dbraw/zinc/40/28/14/983402814.db2.gz	MQRYRNPNUNMSQX-NSHDSACASA-N	-1	0	292.266	0.035	20	30		CCEDRM
C#CC[C@@H](NC(=O)[C@H](C)CNC(=O)OC(C)(C)C)C(=O)[O-]	ZINC001588398572	983413796	/nfs/dbraw/zinc/41/37/96/983413796.db2.gz	LIUOWHAQSULCFW-NXEZZACHSA-N	-1	0	298.339	0.740	20	30		CCEDRM
C#CC[C@@H](NC(=O)Cc1cn2cc(F)ccc2n1)C(=O)[O-]	ZINC001588408072	983430309	/nfs/dbraw/zinc/43/03/09/983430309.db2.gz	WRTNXLKPYOMJFM-LLVKDONJSA-N	-1	0	289.266	0.609	20	30		CCEDRM
C#CC[C@@H](NC(=O)c1cc(OCC)no1)C(=O)[O-]	ZINC001588414503	983434129	/nfs/dbraw/zinc/43/41/29/983434129.db2.gz	UQPFWCDGNDUPMH-SSDOTTSWSA-N	-1	0	252.226	0.280	20	30		CCEDRM
C#CC[C@@H](NC(=O)c1cccc(C(=O)[O-])n1)C(=O)OC	ZINC001588417075	983438316	/nfs/dbraw/zinc/43/83/16/983438316.db2.gz	WWDREFGJSNXWNC-SNVBAGLBSA-N	-1	0	276.248	0.075	20	30		CCEDRM
C#CC[C@H](NC(=O)c1nc(CC)oc1C)C(=O)[O-]	ZINC001588422621	983447652	/nfs/dbraw/zinc/44/76/52/983447652.db2.gz	ZYEREPIYTXAGPO-QMMMGPOBSA-N	-1	0	250.254	0.752	20	30		CCEDRM
C#CCC1(NC(=O)c2cc(C(=O)[O-])on2)CCOCC1	ZINC001588427526	983456365	/nfs/dbraw/zinc/45/63/65/983456365.db2.gz	AWMSRMAELVAHIX-UHFFFAOYSA-N	-1	0	278.264	0.675	20	30		CCEDRM
C#CC[C@@H](NS(=O)(=O)c1c(C)cccc1C#N)C(=O)[O-]	ZINC001588424709	983456523	/nfs/dbraw/zinc/45/65/23/983456523.db2.gz	ZPQUEVDRNNWEAS-LLVKDONJSA-N	-1	0	292.316	0.622	20	30		CCEDRM
C#CCC1(NC(=O)CCSCC(=O)[O-])CCOCC1	ZINC001588428056	983459704	/nfs/dbraw/zinc/45/97/04/983459704.db2.gz	ZAUKWYBFSFWECU-UHFFFAOYSA-N	-1	0	285.365	0.883	20	30		CCEDRM
C#CC[C@@H](NS(=O)(=O)c1ccc(N(C)C)cc1)C(=O)[O-]	ZINC001588428733	983463493	/nfs/dbraw/zinc/46/34/93/983463493.db2.gz	ZFAGTWRUGRPDJG-GFCCVEGCSA-N	-1	0	296.348	0.507	20	30		CCEDRM
C#CCCS(=O)(=O)N[C@@H](Cc1ccncc1)C(=O)[O-]	ZINC001588458204	983482893	/nfs/dbraw/zinc/48/28/93/983482893.db2.gz	KRZUMRJDNCLNEZ-NSHDSACASA-N	-1	0	282.321	0.020	20	30		CCEDRM
C#CCN(C(=O)CCc1ocnc1C(=O)[O-])C1CC1	ZINC001588459536	983484364	/nfs/dbraw/zinc/48/43/64/983484364.db2.gz	ALVOMDQVIWWPQE-UHFFFAOYSA-N	-1	0	262.265	0.930	20	30		CCEDRM
C#CCN(CC#N)C(=O)[C@H]1CC[C@@H](CCC(=O)[O-])O1	ZINC001588464928	983495415	/nfs/dbraw/zinc/49/54/15/983495415.db2.gz	VLBVMDWYBDITRO-WDEREUQCSA-N	-1	0	264.281	0.384	20	30		CCEDRM
C#CCN(Cc1cnc(C(=O)[O-])cn1)C1CSC1	ZINC001588471725	983507136	/nfs/dbraw/zinc/50/71/36/983507136.db2.gz	YPPLAKDWHVFQSA-UHFFFAOYSA-N	-1	0	263.322	0.725	20	30		CCEDRM
C#CCN1CCC[C@@H](NC(=O)C[C@H](C)CC(=O)[O-])C1	ZINC001588475324	983508387	/nfs/dbraw/zinc/50/83/87/983508387.db2.gz	BZDJPUHZXQCTEV-NWDGAFQWSA-N	-1	0	266.341	0.701	20	30		CCEDRM
C#CCN1CCC[C@@H](NC(=O)CCSCC(=O)[O-])C1	ZINC001588475976	983509760	/nfs/dbraw/zinc/50/97/60/983509760.db2.gz	KGGWBDOPVWZZTL-LLVKDONJSA-N	-1	0	284.381	0.408	20	30		CCEDRM
C#CCN1CCN(C(=O)CCc2ocnc2C(=O)[O-])CC1	ZINC001588476916	983513753	/nfs/dbraw/zinc/51/37/53/983513753.db2.gz	IFISSMSAKYECNV-UHFFFAOYSA-N	-1	0	291.307	0.083	20	30		CCEDRM
C#CCO[C@H](C)C(=O)N1[C@H]2C[C@@H](C(=O)[O-])O[C@H]2CC[C@H]1C	ZINC001588490839	983534453	/nfs/dbraw/zinc/53/44/53/983534453.db2.gz	ZQRFUYHKCTVREG-BNDIWNMDSA-N	-1	0	295.335	0.646	20	30		CCEDRM
C#CCOCCOC(=O)c1ccc(C(=O)[O-])n1C	ZINC001588491460	983536630	/nfs/dbraw/zinc/53/66/30/983536630.db2.gz	NGYCHBHELGHOON-UHFFFAOYSA-N	-1	0	251.238	0.530	20	30		CCEDRM
C#CCOCCNC(=O)c1ccsc1CC(=O)[O-]	ZINC001588491646	983536940	/nfs/dbraw/zinc/53/69/40/983536940.db2.gz	RSKCCSVWMAPRJY-UHFFFAOYSA-N	-1	0	267.306	0.755	20	30		CCEDRM
C#Cc1ccc(C(=O)N2CCC[C@H](O)[C@@H]2C(=O)[O-])nc1	ZINC001588510396	983555387	/nfs/dbraw/zinc/55/53/87/983555387.db2.gz	CAICSFMIUGVBDZ-NWDGAFQWSA-N	-1	0	274.276	0.113	20	30		CCEDRM
C#Cc1ccc(C(=O)N[C@@]2(CC(=O)[O-])CCCOC2)nc1	ZINC001588510708	983556534	/nfs/dbraw/zinc/55/65/34/983556534.db2.gz	IOWBIALZVMLGSL-OAHLLOKOSA-N	-1	0	288.303	0.817	20	30		CCEDRM
C#Cc1ccc(NC(=O)C(=O)NCC(C)(C)C(=O)[O-])cc1	ZINC001588517220	983563948	/nfs/dbraw/zinc/56/39/48/983563948.db2.gz	PDUDGNVNECUQNE-UHFFFAOYSA-N	-1	0	288.303	0.833	20	30		CCEDRM
C#Cc1ccc(S(=O)(=O)N2CC3CC2(C(=O)[O-])C3)cc1	ZINC001588517390	983564456	/nfs/dbraw/zinc/56/44/56/983564456.db2.gz	AJIRNGXSCQXDAR-UHFFFAOYSA-N	-1	0	291.328	0.906	20	30		CCEDRM
C#Cc1ccc(Cn2nnnc2N2CC[C@@H](C(=O)[O-])C2)cc1	ZINC001588517542	983565090	/nfs/dbraw/zinc/56/50/90/983565090.db2.gz	UOVACAZEIRJDKG-CYBMUJFWSA-N	-1	0	297.318	0.614	20	30		CCEDRM
C#Cc1ccc(S(=O)(=O)NCC(F)(F)C(=O)[O-])cc1	ZINC001588517976	983567326	/nfs/dbraw/zinc/56/73/26/983567326.db2.gz	LGIUXDOYIAHWHW-UHFFFAOYSA-N	-1	0	289.259	0.666	20	30		CCEDRM
C#Cc1cccc(NC(=O)C(=O)N2C[C@H]3[C@H](C(=O)[O-])[C@H]3C2)c1	ZINC001588523528	983572750	/nfs/dbraw/zinc/57/27/50/983572750.db2.gz	NHPRJNPORSDICI-ITGUQSILSA-N	-1	0	298.298	0.395	20	30		CCEDRM
C=C(C)[C@H]1OCC[C@@H]1CNC(=O)[C@H]1CC[C@@H](C(=O)[O-])O1	ZINC001588535137	983588290	/nfs/dbraw/zinc/58/82/90/983588290.db2.gz	FMEKXQWLZYMZCW-WISYIIOYSA-N	-1	0	283.324	0.716	20	30		CCEDRM
C=C(C)C[C@H](NC(=O)CN1CC(C)(C)C1)C(=O)[O-]	ZINC001588543179	983611089	/nfs/dbraw/zinc/61/10/89/983611089.db2.gz	YAMPBVLDIMZIHR-JTQLQIEISA-N	-1	0	254.330	0.864	20	30		CCEDRM
CCN(C[C@H](C)C#N)C(=O)CN1CCOC[C@@H]1CC(=O)[O-]	ZINC001596229573	983621344	/nfs/dbraw/zinc/62/13/44/983621344.db2.gz	AXWNWLFNFCGMMG-NEPJUHHUSA-N	-1	0	297.355	0.170	20	30		CCEDRM
CCN(C[C@@H](C)C#N)C(=O)CN1CCC[C@@H](C(=O)[O-])C1=O	ZINC001596229971	983623077	/nfs/dbraw/zinc/62/30/77/983623077.db2.gz	OVFDQOFNCVYVGN-WDEREUQCSA-N	-1	0	295.339	0.318	20	30		CCEDRM
C=C(C)C[C@@H]1NC(=O)N(C/C=C(\C)C(=O)[O-])C1=O	ZINC001588554938	983632689	/nfs/dbraw/zinc/63/26/89/983632689.db2.gz	VFFSBTIAQORBMU-SGDMMICCSA-N	-1	0	252.270	0.904	20	30		CCEDRM
C=C(C)C[C@H](NS(=O)(=O)c1cnn(CC)c1)C(=O)[O-]	ZINC001588555398	983634676	/nfs/dbraw/zinc/63/46/76/983634676.db2.gz	HRCRJBABSLVPOF-JTQLQIEISA-N	-1	0	287.341	0.601	20	30		CCEDRM
C=C(C)CCOC(=O)CN1CCC[C@@H](C(=O)[O-])C1=O	ZINC001588561686	983642850	/nfs/dbraw/zinc/64/28/50/983642850.db2.gz	WDJYRJTXWZTWIJ-SNVBAGLBSA-N	-1	0	269.297	0.819	20	30		CCEDRM
C=C(C)COCCNC(=O)C(=O)N1CC[C@H](C(=O)[O-])[C@H]1C	ZINC001588569592	983649392	/nfs/dbraw/zinc/64/93/92/983649392.db2.gz	GGLPQIWYQDNEES-MNOVXSKESA-N	-1	0	298.339	0.017	20	30		CCEDRM
C=C(C)CONC(=O)N1C[C@H](C)O[C@H](C(=O)[O-])C1	ZINC001588573701	983653519	/nfs/dbraw/zinc/65/35/19/983653519.db2.gz	SSOQEWQBRBLVBA-IUCAKERBSA-N	-1	0	258.274	0.378	20	30		CCEDRM
C=C(CCC(=O)[O-])C(=O)N1CCC[C@@](CO)(OC)C1	ZINC001588613986	983705917	/nfs/dbraw/zinc/70/59/17/983705917.db2.gz	ILQBBYWNDJPLRX-CYBMUJFWSA-N	-1	0	271.313	0.407	20	30		CCEDRM
C=C(CCC(=O)[O-])C(=O)N1CCCC[C@@H]1C(=O)OC	ZINC001588614831	983709039	/nfs/dbraw/zinc/70/90/39/983709039.db2.gz	CZTUJAWFUUYAHC-SNVBAGLBSA-N	-1	0	269.297	0.962	20	30		CCEDRM
C=C(CCC(=O)[O-])C(=O)N[C@H](C)/C=C/C(=O)OC	ZINC001588618933	983713705	/nfs/dbraw/zinc/71/37/05/983713705.db2.gz	FPNATLFJROCCAB-VPIOIWJLSA-N	-1	0	255.270	0.641	20	30		CCEDRM
C=C(CCC(=O)[O-])C(=O)N[C@@H](C)Cc1cnn(C)c1	ZINC001588619143	983715047	/nfs/dbraw/zinc/71/50/47/983715047.db2.gz	LXHHUBVDKRXYOG-JTQLQIEISA-N	-1	0	265.313	0.888	20	30		CCEDRM
C=C(CCC(=O)[O-])C(=O)NCCOc1cccnc1	ZINC001588624610	983733983	/nfs/dbraw/zinc/73/39/83/983733983.db2.gz	PVOIFWQMCVJBNJ-UHFFFAOYSA-N	-1	0	264.281	0.998	20	30		CCEDRM
C=C(CCC(=O)OC)C(=O)N[C@@](CC)(COC)C(=O)[O-]	ZINC001588633375	983749021	/nfs/dbraw/zinc/74/90/21/983749021.db2.gz	LXCXQXFCLFKKMB-ZDUSSCGKSA-N	-1	0	287.312	0.492	20	30		CCEDRM
C=C(CO)C(=O)N[C@H](C(=O)[O-])c1cc(F)ccc1F	ZINC001588637142	983758895	/nfs/dbraw/zinc/75/88/95/983758895.db2.gz	IMZZRNIXRCNLRN-JTQLQIEISA-N	-1	0	271.219	0.755	20	30		CCEDRM
CCN(CCNC(=O)C#CC1CC1)C(=O)[C@@H]1C[C@H]1C(=O)[O-]	ZINC001596328935	983765936	/nfs/dbraw/zinc/76/59/36/983765936.db2.gz	GRWZIFOEWJVUKL-VXGBXAGGSA-N	-1	0	292.335	0.085	20	30		CCEDRM
CCN(CCNC(=O)C#CC1CC1)C(=O)[C@H]1C[C@H]1C(=O)[O-]	ZINC001596328932	983765971	/nfs/dbraw/zinc/76/59/71/983765971.db2.gz	GRWZIFOEWJVUKL-NWDGAFQWSA-N	-1	0	292.335	0.085	20	30		CCEDRM
C=C(Cl)Cn1nnnc1N1CC[C@H](C(=O)[O-])[C@@H]1C	ZINC001588643931	983767895	/nfs/dbraw/zinc/76/78/95/983767895.db2.gz	YJUUQJBBBXPAAP-YUMQZZPRSA-N	-1	0	271.708	0.725	20	30		CCEDRM
C=C[C@H](C(=O)[O-])N1CCC2(CCC2)S(=O)(=O)CC1	ZINC001588663870	983797067	/nfs/dbraw/zinc/79/70/67/983797067.db2.gz	RBIJGINHZMLFSP-SNVBAGLBSA-N	-1	0	273.354	0.669	20	30		CCEDRM
C=C[C@H](C(=O)[O-])N1CCN(C(=O)c2ccc(=O)[nH]c2)CC1	ZINC001588669783	983815759	/nfs/dbraw/zinc/81/57/59/983815759.db2.gz	PJKZGGLKIIYMEZ-LLVKDONJSA-N	-1	0	291.307	0.184	20	30		CCEDRM
C=C[C@@](C)(O)C(=O)NCc1c(C)nn(CC(=O)[O-])c1C	ZINC001588681883	983842299	/nfs/dbraw/zinc/84/22/99/983842299.db2.gz	FWILUKLDSFYMCV-CYBMUJFWSA-N	-1	0	281.312	0.138	20	30		CCEDRM
C=C[C@@](C)(O)C(=O)NC[C@@H](Cc1ccncc1)C(=O)[O-]	ZINC001588683143	983846607	/nfs/dbraw/zinc/84/66/07/983846607.db2.gz	VISYJNPTIUMVBM-BXUZGUMPSA-N	-1	0	278.308	0.378	20	30		CCEDRM
C=C[C@](C)(O)CC(=O)NC[C@@H](CC(=O)[O-])C1CC1	ZINC001588683722	983850692	/nfs/dbraw/zinc/85/06/92/983850692.db2.gz	CSHUIXAQPUZEMJ-MFKMUULPSA-N	-1	0	255.314	0.931	20	30		CCEDRM
C=C[C@](C)(O)CC(=O)N1CC[C@@]2(CC(C(=O)[O-])=NO2)C1	ZINC001588683689	983850715	/nfs/dbraw/zinc/85/07/15/983850715.db2.gz	BWRLFFDHZUJHDR-QWHCGFSZSA-N	-1	0	282.296	0.146	20	30		CCEDRM
C=C[C@@H](N[C@H]1CCN(c2cc(C)nn2C)C1=O)C(=O)[O-]	ZINC001588696559	983903060	/nfs/dbraw/zinc/90/30/60/983903060.db2.gz	OWNNVHAAQPRLNS-ZJUUUORDSA-N	-1	0	278.312	0.063	20	30		CCEDRM
C=C[C@H](O)C(=O)Nc1nc(COC)c(C(=O)[O-])s1	ZINC001588704900	983925421	/nfs/dbraw/zinc/92/54/21/983925421.db2.gz	IUALHJWXFQNKHA-LURJTMIESA-N	-1	0	272.282	0.473	20	30		CCEDRM
C=C[C@H](OC(=O)[C@H](C)Sc1nncn1C)C(=O)[O-]	ZINC001588706194	983930438	/nfs/dbraw/zinc/93/04/38/983930438.db2.gz	WLKWORPOTBEAAW-BQBZGAKWSA-N	-1	0	271.298	0.478	20	30		CCEDRM
C=C[C@H](OC(=O)[C@H]1CCN(C(=O)CC)C1)C(=O)[O-]	ZINC001588710478	983932124	/nfs/dbraw/zinc/93/21/24/983932124.db2.gz	CLAACHKFLXBYEW-IUCAKERBSA-N	-1	0	255.270	0.427	20	30		CCEDRM
C=C[C@H](OC(=O)[C@@H]1CC[C@H](CN2CCOCC2)O1)C(=O)[O-]	ZINC001588712230	983942772	/nfs/dbraw/zinc/94/27/72/983942772.db2.gz	USFUZYVNSQZMNU-WOPDTQHZSA-N	-1	0	299.323	0.049	20	30		CCEDRM
C=C[C@@H](OC(=O)c1cc(C(=O)OC)co1)C(=O)[O-]	ZINC001588712792	983946442	/nfs/dbraw/zinc/94/64/42/983946442.db2.gz	NMZNCKLGMNPMSO-SSDOTTSWSA-N	-1	0	254.194	0.862	20	30		CCEDRM
C=C[C@H](OC(=O)c1cc(C(=O)[O-])nn1C)C(=O)OC	ZINC001588713495	983949215	/nfs/dbraw/zinc/94/92/15/983949215.db2.gz	WWGPXLMGFSOXMQ-QMMMGPOBSA-N	-1	0	268.225	0.003	20	30		CCEDRM
C=C[C@H](OC(=O)c1c(Br)cnn1C)C(=O)[O-]	ZINC001588713668	983950321	/nfs/dbraw/zinc/95/03/21/983950321.db2.gz	ZUFAMBILLXVLEQ-LURJTMIESA-N	-1	0	289.085	0.979	20	30		CCEDRM
C=C[C@H]1CCCCN1C(=O)C(=O)N[C@H]1CC=C(C(=O)[O-])C1	ZINC001588719622	983962143	/nfs/dbraw/zinc/96/21/43/983962143.db2.gz	WOLJDVDGJNWLKX-RYUDHWBXSA-N	-1	0	292.335	0.843	20	30		CCEDRM
C=CCC(C)(C)C(=O)N[C@@H](Cn1cncn1)C(=O)[O-]	ZINC001588731656	984009995	/nfs/dbraw/zinc/00/99/95/984009995.db2.gz	MJTSYWWHPCFSFF-VIFPVBQESA-N	-1	0	266.301	0.450	20	30		CCEDRM
C=CCC(F)(F)C(=O)N[C@H](CCC1OCCO1)C(=O)[O-]	ZINC001588742500	984032690	/nfs/dbraw/zinc/03/26/90/984032690.db2.gz	FOYQUBXMJWWDRL-MRVPVSSYSA-N	-1	0	293.266	0.920	20	30		CCEDRM
C=CC[C@H](NC(=O)[C@@H](C)CC(=O)[O-])C(=O)OCC	ZINC001588742835	984034602	/nfs/dbraw/zinc/03/46/02/984034602.db2.gz	LJOADTLWIVLXRW-IUCAKERBSA-N	-1	0	257.286	0.721	20	30		CCEDRM
C=CC[C@H](NC(=O)c1ccc(C(=O)[O-])n1C)C(=O)OCC	ZINC001588743456	984037174	/nfs/dbraw/zinc/03/71/74/984037174.db2.gz	WUYVZIRMFLCQOA-VIFPVBQESA-N	-1	0	294.307	0.961	20	30		CCEDRM
C=CC[C@@H](OC(=O)C1(C(=O)OCC)CC1)C(=O)[O-]	ZINC001588752520	984081800	/nfs/dbraw/zinc/08/18/00/984081800.db2.gz	XXIXIERPQQBKNU-MRVPVSSYSA-N	-1	0	256.254	0.902	20	30		CCEDRM
C=CC[C@H](OC(=O)CS(=O)(=O)CCC)C(=O)[O-]	ZINC001588753358	984084843	/nfs/dbraw/zinc/08/48/43/984084843.db2.gz	GFUVNIKRPPEVDJ-QMMMGPOBSA-N	-1	0	264.299	0.384	20	30		CCEDRM
C=CC[C@H](OC(=O)Cc1c(C)nc(C)[nH]c1=O)C(=O)[O-]	ZINC001588753719	984087953	/nfs/dbraw/zinc/08/79/53/984087953.db2.gz	MHMJXWVZPFBVNU-JTQLQIEISA-N	-1	0	280.280	0.914	20	30		CCEDRM
C=CC[C@H](OC(=O)Cn1ccc(C)cc1=O)C(=O)[O-]	ZINC001588757312	984102481	/nfs/dbraw/zinc/10/24/81/984102481.db2.gz	XZEKHWAVVIEDKI-JTQLQIEISA-N	-1	0	265.265	0.729	20	30		CCEDRM
C=CCC[C@H](CO)NC(=O)NC[C@H]1C[C@H]1C(=O)[O-]	ZINC001588777703	984157310	/nfs/dbraw/zinc/15/73/10/984157310.db2.gz	GNMSFFCTUXDOML-OPRDCNLKSA-N	-1	0	256.302	0.333	20	30		CCEDRM
C=CCC[C@H](O)Cn1cc(CO[C@H](C)C(=O)[O-])nn1	ZINC001588779395	984165779	/nfs/dbraw/zinc/16/57/79/984165779.db2.gz	XKHUZPFSGAHSBL-KOLCDFICSA-N	-1	0	269.301	0.595	20	30		CCEDRM
C=CCCC[C@@H](NC(=O)[C@H](C)CC(N)=O)C(=O)[O-]	ZINC001588787630	984187787	/nfs/dbraw/zinc/18/77/87/984187787.db2.gz	WZULZZXZBSADMU-RKDXNWHRSA-N	-1	0	256.302	0.424	20	30		CCEDRM
C=CCCC[C@@H](NC(=O)CSCC(N)=O)C(=O)[O-]	ZINC001588788839	984193759	/nfs/dbraw/zinc/19/37/59/984193759.db2.gz	PHYHMKHOVHDXPN-MRVPVSSYSA-N	-1	0	274.342	0.131	20	30		CCEDRM
C=CCCC[C@@H](NC(=O)CN(C)C(C)=O)C(=O)[O-]	ZINC001588788986	984195397	/nfs/dbraw/zinc/19/53/97/984195397.db2.gz	UIPQAPYOXQQLIA-SNVBAGLBSA-N	-1	0	256.302	0.390	20	30		CCEDRM
C=CCCC[C@H](NC(=O)[C@@H]1CCCNC1=O)C(=O)[O-]	ZINC001588790617	984207220	/nfs/dbraw/zinc/20/72/20/984207220.db2.gz	ZWGBMMYGFGYRNF-ZJUUUORDSA-N	-1	0	268.313	0.438	20	30		CCEDRM
C=CCCC[C@H](NC(=O)c1ccn2nnnc2c1)C(=O)[O-]	ZINC001588792557	984210684	/nfs/dbraw/zinc/21/06/84/984210684.db2.gz	ATDCFKOPVTXXHJ-JTQLQIEISA-N	-1	0	289.295	0.664	20	30		CCEDRM
C=CCCC[C@H](NC(=O)[C@H](C)NC(=O)OC)C(=O)[O-]	ZINC001588794570	984228236	/nfs/dbraw/zinc/22/82/36/984228236.db2.gz	YSROZWVYCYVKSO-IUCAKERBSA-N	-1	0	272.301	0.657	20	30		CCEDRM
C=CCCC[C@H]1NC(=O)N(C[C@H]2C[C@H]2C(=O)[O-])C1=O	ZINC001588798807	984238950	/nfs/dbraw/zinc/23/89/50/984238950.db2.gz	RKGWAFZDZZPENJ-OPRDCNLKSA-N	-1	0	266.297	0.984	20	30		CCEDRM
C=CCN(C(=O)C(=O)NC1CC(CC(=O)[O-])C1)C(C)C	ZINC001588820097	984281306	/nfs/dbraw/zinc/28/13/06/984281306.db2.gz	QCDOHUUTBADFDT-UHFFFAOYSA-N	-1	0	282.340	0.779	20	30		CCEDRM
C=CCN(C)C(=O)C(=O)Nc1cc(C(=O)[O-])n(C)c1	ZINC001588822951	984293993	/nfs/dbraw/zinc/29/39/93/984293993.db2.gz	ZLVHCHYCNXOOOA-UHFFFAOYSA-N	-1	0	265.269	0.306	20	30		CCEDRM
C=CCN(CC(=O)OCC)c1ncc(C(=O)[O-])cn1	ZINC001588824100	984296411	/nfs/dbraw/zinc/29/64/11/984296411.db2.gz	SFSLKSCVJDBHSA-UHFFFAOYSA-N	-1	0	265.269	0.730	20	30		CCEDRM
C=CCN(CC=C)C(=O)[C@@H](C)Nc1ccn(CC(=O)[O-])n1	ZINC001588825714	984301306	/nfs/dbraw/zinc/30/13/06/984301306.db2.gz	VMHJNEYNQCKENO-LLVKDONJSA-N	-1	0	292.339	0.969	20	30		CCEDRM
C=CCN(CCOC)C(=O)CCSCC(=O)[O-]	ZINC001588828700	984308394	/nfs/dbraw/zinc/30/83/94/984308394.db2.gz	JTYFNLHVAQNEGR-UHFFFAOYSA-N	-1	0	261.343	0.855	20	30		CCEDRM
C=CCN(CCc1ccco1)[C@H](C)C(=O)NCC(=O)[O-]	ZINC001588829180	984312464	/nfs/dbraw/zinc/31/24/64/984312464.db2.gz	HIKGHLIKECUTRS-LLVKDONJSA-N	-1	0	280.324	0.899	20	30		CCEDRM
C=CCNC(=O)[C@H](C)OC(=O)c1ccnc(C(=O)[O-])c1	ZINC001588838822	984342171	/nfs/dbraw/zinc/34/21/71/984342171.db2.gz	JSAFAPBBDDTMMA-QMMMGPOBSA-N	-1	0	278.264	0.627	20	30		CCEDRM
C=CCNC(=O)NC(=O)COC(=O)C(C)(C)CC(=O)[O-]	ZINC001588843665	984353930	/nfs/dbraw/zinc/35/39/30/984353930.db2.gz	DUFOBYKFJWYIAM-UHFFFAOYSA-N	-1	0	286.284	0.042	20	30		CCEDRM
C=CCOC[C@@H](NC(=O)C[C@H]1CCOC1)C(=O)[O-]	ZINC001588854044	984388781	/nfs/dbraw/zinc/38/87/81/984388781.db2.gz	PCDBVEZIUXYZJZ-NXEZZACHSA-N	-1	0	257.286	0.185	20	30		CCEDRM
C=CCOC[C@H](NC(=O)[C@@H]1CCC[C@H](C(N)=O)C1)C(=O)[O-]	ZINC001588855409	984392607	/nfs/dbraw/zinc/39/26/07/984392607.db2.gz	FZPANGHMLLQTGE-AXFHLTTASA-N	-1	0	298.339	0.050	20	30		CCEDRM
C=CCOC[C@H](NC(=O)c1cc(C)nc(C)n1)C(=O)[O-]	ZINC001588859454	984405950	/nfs/dbraw/zinc/40/59/50/984405950.db2.gz	LWKSBMWDJCBKQQ-NSHDSACASA-N	-1	0	279.296	0.479	20	30		CCEDRM
C=CCOC[C@H](NC(=O)c1cc(Cl)no1)C(=O)[O-]	ZINC001588859551	984406630	/nfs/dbraw/zinc/40/66/30/984406630.db2.gz	PUUUMPDAMGIBDW-LURJTMIESA-N	-1	0	274.660	0.714	20	30		CCEDRM
C=CCOC[C@H](NC(=O)c1cc(N)nc(Cl)c1)C(=O)[O-]	ZINC001588859712	984407512	/nfs/dbraw/zinc/40/75/12/984407512.db2.gz	URFHLPYCWAUTIC-QMMMGPOBSA-N	-1	0	299.714	0.703	20	30		CCEDRM
C=CCOC[C@H](NC(=O)c1nnc(CC)s1)C(=O)[O-]	ZINC001588859908	984409195	/nfs/dbraw/zinc/40/91/95/984409195.db2.gz	AXJJXGRZSRFODO-ZETCQYMHSA-N	-1	0	285.325	0.486	20	30		CCEDRM
C=CCOC[C@H](NC(=O)c1nccc(C)n1)C(=O)[O-]	ZINC001588860232	984411748	/nfs/dbraw/zinc/41/17/48/984411748.db2.gz	NEPLDNYARSNMCL-VIFPVBQESA-N	-1	0	265.269	0.171	20	30		CCEDRM
C=CCOC[C@@H](NC(=O)c1cnc2cccnn21)C(=O)[O-]	ZINC001588860483	984413163	/nfs/dbraw/zinc/41/31/63/984413163.db2.gz	VZEDFJKQWRZAFA-SECBINFHSA-N	-1	0	290.279	0.115	20	30		CCEDRM
C=CCOC[C@@H](NCc1ccc(CO)o1)C(=O)[O-]	ZINC001588865672	984418981	/nfs/dbraw/zinc/41/89/81/984418981.db2.gz	ADAXJZPQPGSVNB-LLVKDONJSA-N	-1	0	255.270	0.517	20	30		CCEDRM
C=CCOC[C@H](NCc1ccc(CO)o1)C(=O)[O-]	ZINC001588865673	984419006	/nfs/dbraw/zinc/41/90/06/984419006.db2.gz	ADAXJZPQPGSVNB-NSHDSACASA-N	-1	0	255.270	0.517	20	30		CCEDRM
C=CCOC[C@H](NCc1cc(C(=O)OC)no1)C(=O)[O-]	ZINC001588865875	984420827	/nfs/dbraw/zinc/42/08/27/984420827.db2.gz	DNQQVNOCLWSHAZ-JTQLQIEISA-N	-1	0	284.268	0.207	20	30		CCEDRM
C=CCOCCCC(=O)N[C@H](Cc1c[nH]cn1)C(=O)[O-]	ZINC001588867116	984430350	/nfs/dbraw/zinc/43/03/50/984430350.db2.gz	YTHBRYPWWGEPRI-LLVKDONJSA-N	-1	0	281.312	0.504	20	30		CCEDRM
C=CCS(=O)(=O)CCNC(=O)c1cc(C(=O)[O-])co1	ZINC001588878797	984455008	/nfs/dbraw/zinc/45/50/08/984455008.db2.gz	JFMBPEGAJZNBKY-UHFFFAOYSA-N	-1	0	287.293	0.308	20	30		CCEDRM
C=CCS(=O)(=O)CCNC(=O)C[C@@H](C)CC(=O)[O-]	ZINC001588879148	984456790	/nfs/dbraw/zinc/45/67/90/984456790.db2.gz	SZEHVCUADXXKNB-SECBINFHSA-N	-1	0	277.342	0.204	20	30		CCEDRM
C=CCSCCNC(=O)N1C[C@H](C)O[C@H](C(=O)[O-])C1	ZINC001588879644	984458482	/nfs/dbraw/zinc/45/84/82/984458482.db2.gz	IGNSQBHQWRUEGW-UWVGGRQHSA-N	-1	0	288.369	0.789	20	30		CCEDRM
C=CCn1c(N2CC[C@](F)(C(=O)[O-])C2)nnc1C1(O)CC1	ZINC001588904270	984528154	/nfs/dbraw/zinc/52/81/54/984528154.db2.gz	NINHCKOIYZSEBX-GFCCVEGCSA-N	-1	0	296.302	0.449	20	30		CCEDRM
C=CCn1cnn(CN2CCO[C@@H](C(=O)[O-])C2)c1=S	ZINC001588909390	984544168	/nfs/dbraw/zinc/54/41/68/984544168.db2.gz	RZXLLNRAPQQXCI-SECBINFHSA-N	-1	0	284.341	0.343	20	30		CCEDRM
C=C[C@@H]1OCCC[C@H]1NC(=O)Nc1cc(C(=O)[O-])nn1C	ZINC001588913403	984554963	/nfs/dbraw/zinc/55/49/63/984554963.db2.gz	BGDSMUBUKALLOI-SCZZXKLOSA-N	-1	0	294.311	0.973	20	30		CCEDRM
C=C[C@@H]1OCC[C@H]1C(=O)NCCSCC(=O)[O-]	ZINC001588916675	984562785	/nfs/dbraw/zinc/56/27/85/984562785.db2.gz	YRWBOLZMYFINRE-BDAKNGLRSA-N	-1	0	259.327	0.512	20	30		CCEDRM
C=C[C@@H]1OCC[C@H]1C(=O)N[C@@](C)(CCF)C(=O)[O-]	ZINC001588917377	984566967	/nfs/dbraw/zinc/56/69/67/984566967.db2.gz	YCZOUKFXGYSCBN-PTRXPTGYSA-N	-1	0	259.277	0.897	20	30		CCEDRM
C=C[C@H](CO)NS(=O)(=O)c1cccc(F)c1C(=O)[O-]	ZINC001588919428	984572385	/nfs/dbraw/zinc/57/23/85/984572385.db2.gz	LISOKAZICBSLKK-SSDOTTSWSA-N	-1	0	289.284	0.349	20	30		CCEDRM
C=C[C@H](CO)NC(=O)N[C@@H]1CCC[C@H]1CC(=O)[O-]	ZINC001588919909	984575370	/nfs/dbraw/zinc/57/53/70/984575370.db2.gz	OPBBISSWBBUXHI-IVZWLZJFSA-N	-1	0	256.302	0.476	20	30		CCEDRM
CC#CCCCC(=O)N(C)CCNC(=O)[C@@H]1C[C@@H]1C(=O)[O-]	ZINC001588925520	984587684	/nfs/dbraw/zinc/58/76/84/984587684.db2.gz	SAULILZHYUMPHK-NEPJUHHUSA-N	-1	0	294.351	0.475	20	30		CCEDRM
CC#CC[C@H](CO)NC(=O)C12CC(C(=O)[O-])(C1)C2	ZINC001588926339	984593171	/nfs/dbraw/zinc/59/31/71/984593171.db2.gz	SGYKNHDZXMAPGM-UHEGKEBESA-N	-1	0	251.282	0.132	20	30		CCEDRM
CC#CC[C@@H](CO)NC(=O)NC/C=C(/C)C(=O)[O-]	ZINC001588926465	984594489	/nfs/dbraw/zinc/59/44/89/984594489.db2.gz	YZNCFAVWQOKLGI-MBACFSSFSA-N	-1	0	254.286	0.091	20	30		CCEDRM
CC#CCNC(=O)Nc1nnc(CCC(=O)[O-])s1	ZINC001588932547	984609436	/nfs/dbraw/zinc/60/94/36/984609436.db2.gz	XVXKUSYHPDGKRE-UHFFFAOYSA-N	-1	0	268.298	0.700	20	30		CCEDRM
C[C@H](NC(=O)[C@H](C)NC(=O)CCCCCC#N)C(=O)[O-]	ZINC001599896228	984755905	/nfs/dbraw/zinc/75/59/05/984755905.db2.gz	QUUUYJKNNNGUGT-UWVGGRQHSA-N	-1	0	283.328	0.554	20	30		CCEDRM
C[C@@H]1CN(C(=O)N2CCC(C#N)(C(=O)[O-])CC2)C[C@H](C)O1	ZINC001599917130	985073750	/nfs/dbraw/zinc/07/37/50/985073750.db2.gz	FSBCGBMLNZQCEB-PHIMTYICSA-N	-1	0	295.339	0.906	20	30		CCEDRM
C[C@H]1CN(c2nnc([C@H]3C[C@@H]3C#N)n2C)C[C@]1(C)C(=O)[O-]	ZINC001599935361	985385395	/nfs/dbraw/zinc/38/53/95/985385395.db2.gz	PKHNUICCQNIUHF-JIXVBMEVSA-N	-1	0	289.339	0.989	20	30		CCEDRM
CC(=O)N[C@@H](CSC[C@@H](O)CC1(C#N)CC1)C(=O)[O-]	ZINC001589157067	985488954	/nfs/dbraw/zinc/48/89/54/985488954.db2.gz	HCWZWDMGXUNEIY-UWVGGRQHSA-N	-1	0	286.353	0.364	20	30		CCEDRM
Cc1c(C#N)cccc1C(=O)N1C[C@H](O)C[C@H]1C(=O)[O-]	ZINC001599973340	986045976	/nfs/dbraw/zinc/04/59/76/986045976.db2.gz	OBKKXWXZDFYTIO-PWSUYJOCSA-N	-1	0	274.276	0.527	20	30		CCEDRM
Cc1c(C#N)cccc1NC(=O)C(=O)NC1(C(=O)[O-])CC1	ZINC001599975299	986080295	/nfs/dbraw/zinc/08/02/95/986080295.db2.gz	ZHKNIQPNXAMFNZ-UHFFFAOYSA-N	-1	0	287.275	0.539	20	30		CCEDRM
C[C@H](C#N)C(=O)N(C)[C@@H](C)CNc1ncc(C(=O)[O-])cn1	ZINC001589323639	986147805	/nfs/dbraw/zinc/14/78/05/986147805.db2.gz	IRCZFIUOUDDNTG-BDAKNGLRSA-N	-1	0	291.311	0.593	20	30		CCEDRM
C[C@@H](C#N)CNC(=O)Nc1cc(C(=O)[O-])n(C)n1	ZINC001589330989	986181707	/nfs/dbraw/zinc/18/17/07/986181707.db2.gz	XZNUIHYNZBYSJR-LURJTMIESA-N	-1	0	251.246	0.399	20	30		CCEDRM
C[C@@H](C#N)N(C1CC1)S(=O)(=O)CC1(C(=O)[O-])CC1	ZINC001589331479	986186628	/nfs/dbraw/zinc/18/66/28/986186628.db2.gz	FWZPUURWQCNJTE-QMMMGPOBSA-N	-1	0	272.326	0.557	20	30		CCEDRM
C[C@@H](C#N)OCCOC(=O)CC[C@@H]1C[C@H](C(=O)[O-])CO1	ZINC001589331887	986193372	/nfs/dbraw/zinc/19/33/72/986193372.db2.gz	SGKIOPFRUQTDHR-GARJFASQSA-N	-1	0	285.296	0.728	20	30		CCEDRM
C[C@@H](C#N)N(C(=O)c1cnc(C(=O)[O-])cn1)C1CC1	ZINC001589332021	986196079	/nfs/dbraw/zinc/19/60/79/986196079.db2.gz	VXHMHCZIXXKBBJ-ZETCQYMHSA-N	-1	0	260.253	0.691	20	30		CCEDRM
CCOP(=O)(OCC)[C@H](O)CN(CC#N)CC(=O)[O-]	ZINC001596974830	986208861	/nfs/dbraw/zinc/20/88/61/986208861.db2.gz	WCVZJOJZIIZHIM-JTQLQIEISA-N	-1	0	294.244	0.481	20	30		CCEDRM
C[C@@H](C(=O)N1CCCCC1)N(CC#N)CCC(=O)[O-]	ZINC001589358681	986349991	/nfs/dbraw/zinc/34/99/91/986349991.db2.gz	CTVIGJQDXFCHON-NSHDSACASA-N	-1	0	267.329	0.688	20	30		CCEDRM
C[C@@H]1CN(c2ccc(C(=O)[O-])nc2C#N)CC(=O)N1C	ZINC001594568128	986367898	/nfs/dbraw/zinc/36/78/98/986367898.db2.gz	JTYCKZOKSHCMIO-MRVPVSSYSA-N	-1	0	274.280	0.318	20	30		CCEDRM
C[C@@H](C(=O)NC(C)(C)C)N(CC#N)CCC(=O)[O-]	ZINC001589378756	986449650	/nfs/dbraw/zinc/44/96/50/986449650.db2.gz	QPGFSGSZZKCNBX-VIFPVBQESA-N	-1	0	255.318	0.590	20	30		CCEDRM
C[C@@H]1CN(c2ncc(C(=O)[O-])cn2)C[C@@H](C)N1CC#N	ZINC001594583689	986451405	/nfs/dbraw/zinc/45/14/05/986451405.db2.gz	MPGFQINCEHSESU-NXEZZACHSA-N	-1	0	275.312	0.597	20	30		CCEDRM
C[C@@H]1CO[C@H](C(=O)N2CCC(C#N)(C(=O)[O-])CC2)C1	ZINC001594586925	986483714	/nfs/dbraw/zinc/48/37/14/986483714.db2.gz	LLKOGGGKQHFTDN-UWVGGRQHSA-N	-1	0	266.297	0.628	20	30		CCEDRM
C[C@@H]1COCC[C@H]1C(=O)N1CCC(C#N)(C(=O)[O-])CC1	ZINC001594595952	986514735	/nfs/dbraw/zinc/51/47/35/986514735.db2.gz	LYRJADAPTVDUPG-GHMZBOCLSA-N	-1	0	280.324	0.876	20	30		CCEDRM
C[C@H](C(=O)[O-])N(C1CCC1)S(=O)(=O)CC1(C#N)CC1	ZINC001589479105	987005769	/nfs/dbraw/zinc/00/57/69/987005769.db2.gz	PRSRSNQTSWEORI-SECBINFHSA-N	-1	0	286.353	0.948	20	30		CCEDRM
CC(C)(C#N)CC(=O)O[C@@H]1CCCN(CCC(=O)[O-])C1=O	ZINC001589553715	987293364	/nfs/dbraw/zinc/29/33/64/987293364.db2.gz	HZRMLJJOFBVBJP-SNVBAGLBSA-N	-1	0	296.323	0.935	20	30		CCEDRM
CC(C)(C#N)CC(=O)N[C@H](CCC1OCCO1)C(=O)[O-]	ZINC001589553738	987293318	/nfs/dbraw/zinc/29/33/18/987293318.db2.gz	JFSVQPMLMRXWJC-SECBINFHSA-N	-1	0	284.312	0.649	20	30		CCEDRM
CC(C)(C)OC(=O)CCCC(=O)N(CC#N)CC(=O)[O-]	ZINC001589873239	988517384	/nfs/dbraw/zinc/51/73/84/988517384.db2.gz	LMCLBHNLKVQYSS-UHFFFAOYSA-N	-1	0	284.312	0.935	20	30		CCEDRM
C[C@@H](CC(=O)[O-])NC(=O)COc1cccc(C#N)c1	ZINC001599832778	988698892	/nfs/dbraw/zinc/69/88/92/988698892.db2.gz	MJIKJYLDCIVLHP-VIFPVBQESA-N	-1	0	262.265	0.916	20	30		CCEDRM
C[C@@H]1C[C@H](C(=O)O[C@@H](C#N)C2CC2)O[C@H]1C(=O)[O-]	ZINC001599879151	989460398	/nfs/dbraw/zinc/46/03/98/989460398.db2.gz	OPGCWLAXDDJINX-SFKDOBOXSA-N	-1	0	253.254	0.710	20	30		CCEDRM
CC(C)(C)OC(=O)NCCN(CC#N)CC(=O)[O-]	ZINC001590195389	989555999	/nfs/dbraw/zinc/55/59/99/989555999.db2.gz	WXBKGBDNEJYOCD-UHFFFAOYSA-N	-1	0	257.290	0.421	20	30		CCEDRM
CC(C)(C)n1ccc(C(=O)N(CC#N)CC(=O)[O-])n1	ZINC001590593589	990247764	/nfs/dbraw/zinc/24/77/64/990247764.db2.gz	MWWWOZRCAIVPTA-UHFFFAOYSA-N	-1	0	264.285	0.688	20	30		CCEDRM
CC(C)(CC#N)CN1C(=O)N[C@H](CCC(=O)[O-])C1=O	ZINC001590615230	990288580	/nfs/dbraw/zinc/28/85/80/990288580.db2.gz	OUTXMGWMYRRPJX-MRVPVSSYSA-N	-1	0	267.285	0.711	20	30		CCEDRM
CC(C)(CNC(=O)NCC#C[C@H]1CCCCO1)C(=O)[O-]	ZINC001590723075	990501865	/nfs/dbraw/zinc/50/18/65/990501865.db2.gz	ZDBSOWONEIDBGA-LLVKDONJSA-N	-1	0	282.340	0.969	20	30		CCEDRM
CC(C)(CS(=O)(=O)Cc1cc(C#N)ccn1)C(=O)[O-]	ZINC001590787362	990604712	/nfs/dbraw/zinc/60/47/12/990604712.db2.gz	LCCFCXZMBRWFFM-UHFFFAOYSA-N	-1	0	282.321	0.979	20	30		CCEDRM
CN([C@@H]1CCC[C@H]1C#N)S(=O)(=O)c1cc(C(=O)[O-])[nH]n1	ZINC001598370457	991532267	/nfs/dbraw/zinc/53/22/67/991532267.db2.gz	PISGXMJNDXXVBA-IONNQARKSA-N	-1	0	298.324	0.421	20	30		CCEDRM
CN(CC(C)(C)C#N)S(=O)(=O)c1cc(C(=O)[O-])[nH]n1	ZINC001598419486	991752661	/nfs/dbraw/zinc/75/26/61/991752661.db2.gz	JANKJVRAOWYDEK-UHFFFAOYSA-N	-1	0	286.313	0.278	20	30		CCEDRM
CC(C)C[C@@H](C#N)NC(=O)Cn1cccc(C(=O)[O-])c1=O	ZINC001591117911	991778950	/nfs/dbraw/zinc/77/89/50/991778950.db2.gz	IIJPSKBMGNMFTF-JTQLQIEISA-N	-1	0	291.307	0.601	20	30		CCEDRM
CS(=O)(=O)CCCCN(CC#N)CCC(=O)[O-]	ZINC001599750223	991981275	/nfs/dbraw/zinc/98/12/75/991981275.db2.gz	QEJWAXFGAYKZHK-UHFFFAOYSA-N	-1	0	262.331	0.111	20	30		CCEDRM
CC(C)C[C@@]1(C(=O)N(CC#N)CCC(=O)[O-])CCNC1=O	ZINC001591191145	992000498	/nfs/dbraw/zinc/00/04/98/992000498.db2.gz	QHQPRMRODNEDTP-AWEZNQCLSA-N	-1	0	295.339	0.366	20	30		CCEDRM
CC(C)C[C@H](NS(=O)(=O)CC(C)(C)C#N)C(=O)[O-]	ZINC001591472518	992587504	/nfs/dbraw/zinc/58/75/04/992587504.db2.gz	CZWJHNPVTIFGDV-VIFPVBQESA-N	-1	0	276.358	0.955	20	30		CCEDRM
CN1CCOC[C@H]1CNc1ccc(C(=O)[O-])nc1C#N	ZINC001598625580	994084453	/nfs/dbraw/zinc/08/44/53/994084453.db2.gz	PANNWTFZWRYBFG-SECBINFHSA-N	-1	0	276.296	0.394	20	30		CCEDRM
C[C@@H](NCC(=O)NCCC#N)c1ncc(C(=O)[O-])s1	ZINC001593230744	994365899	/nfs/dbraw/zinc/36/58/99/994365899.db2.gz	LCZJAMZZAUZCDY-SSDOTTSWSA-N	-1	0	282.325	0.522	20	30		CCEDRM
COC(=O)[C@H]1CC[C@H](C(=O)[O-])CN1C(=O)CCCC#N	ZINC001598763924	995808100	/nfs/dbraw/zinc/80/81/00/995808100.db2.gz	WTXGQHNRZSRANC-VHSXEESVSA-N	-1	0	282.296	0.545	20	30		CCEDRM
C[C@@H](Oc1ccccc1C#N)C(=O)NC[C@H](F)C(=O)[O-]	ZINC001593641516	995952871	/nfs/dbraw/zinc/95/28/71/995952871.db2.gz	ONIMSDLMXDYICZ-SCZZXKLOSA-N	-1	0	280.255	0.864	20	30		CCEDRM
C[C@]1(C#N)CCCN(C(=O)NC[C@H]2CCO[C@H]2C(=O)[O-])C1	ZINC001593740885	996358736	/nfs/dbraw/zinc/35/87/36/996358736.db2.gz	XBOQQAJOFPWAEV-JTNHKYCSSA-N	-1	0	295.339	0.811	20	30		CCEDRM
CC1(C#N)CN(S(=O)(=O)c2ccc(C(=O)[O-])o2)C1	ZINC001593743089	996365554	/nfs/dbraw/zinc/36/55/54/996365554.db2.gz	JEALWWJFPQKAID-UHFFFAOYSA-N	-1	0	270.266	0.512	20	30		CCEDRM
C[C@@]1(C#N)CN(C(=O)c2csc(C(=O)[O-])n2)CCO1	ZINC001593743279	996366436	/nfs/dbraw/zinc/36/64/36/996366436.db2.gz	MDMBVBQORGLHHK-LLVKDONJSA-N	-1	0	281.293	0.596	20	30		CCEDRM
CC1(C#N)CCN(C(=O)Cn2ccc(C(=O)[O-])n2)CC1	ZINC001593743402	996367947	/nfs/dbraw/zinc/36/79/47/996367947.db2.gz	XCOFRQLTUWXXDC-UHFFFAOYSA-N	-1	0	276.296	0.734	20	30		CCEDRM
COC(=O)[C@@H]1CN(c2ccc(C(=O)[O-])nc2C#N)CCO1	ZINC001598825867	996381781	/nfs/dbraw/zinc/38/17/81/996381781.db2.gz	FMUKLZAVLANZLN-NSHDSACASA-N	-1	0	291.263	0.030	20	30		CCEDRM
COC(=O)CCN(CC#N)C[C@@H]1[C@@H](C(=O)[O-])C1(F)F	ZINC001598855672	996636311	/nfs/dbraw/zinc/63/63/11/996636311.db2.gz	XOXNUMCYRVDUDL-APPZFPTMSA-N	-1	0	276.239	0.341	20	30		CCEDRM
COC(=O)CN(CC(=O)[O-])CC1CCC(C#N)CC1	ZINC001598863423	996694073	/nfs/dbraw/zinc/69/40/73/996694073.db2.gz	NGXJQBQNOQWBBW-UHFFFAOYSA-N	-1	0	268.313	0.876	20	30		CCEDRM
CO[C@]1(C(=O)[O-])CCN(C(=O)c2cscc2C#N)C1	ZINC001599075483	996852505	/nfs/dbraw/zinc/85/25/05/996852505.db2.gz	HXYOWNWKIFPXIA-GFCCVEGCSA-N	-1	0	280.305	0.935	20	30		CCEDRM
COC[C@@]1(C(=O)[O-])CCCN1C(=O)c1ccnc(C#N)c1	ZINC001599192110	997141306	/nfs/dbraw/zinc/14/13/06/997141306.db2.gz	CNYJMHPGBXPMLT-CQSZACIVSA-N	-1	0	289.291	0.659	20	30		CCEDRM
COC1(CS(=O)(=O)N(CC#N)CC(=O)[O-])CCCC1	ZINC001599092193	997212868	/nfs/dbraw/zinc/21/28/68/997212868.db2.gz	FZXCIRPCYBMGPM-UHFFFAOYSA-N	-1	0	290.341	0.186	20	30		CCEDRM
CC1(C)[C@@]2(C)CC[C@]1(C(=O)N(CC#N)CC(=O)[O-])OC2=O	ZINC001593987136	997226195	/nfs/dbraw/zinc/22/61/95/997226195.db2.gz	HEYGHGSCSSWWCO-UONOGXRCSA-N	-1	0	294.307	0.545	20	30		CCEDRM
CON=CC(=O)N[C@@H](C)c1ncc(C(=O)[O-])s1	ZINC001599320525	997573605	/nfs/dbraw/zinc/57/36/05/997573605.db2.gz	POUCDBLXFWVEJC-YFKPBYRVSA-N	-1	0	257.271	0.651	20	30		CCEDRM
CO[C@@H]1CCN(C(=O)c2ccc(C#N)[nH]2)[C@@H](C(=O)[O-])C1	ZINC001599119244	997709291	/nfs/dbraw/zinc/70/92/91/997709291.db2.gz	BEVYZQLTSLWLHW-MWLCHTKSSA-N	-1	0	277.280	0.591	20	30		CCEDRM
COCCN(CC#N)CC(=O)Nc1ccsc1C(=O)[O-]	ZINC001599231355	997862278	/nfs/dbraw/zinc/86/22/78/997862278.db2.gz	SIYITNSXJQOHGF-UHFFFAOYSA-N	-1	0	297.336	0.857	20	30		CCEDRM
CO[C@H]1CN(C(=O)c2ccc(C#N)nc2)[C@@](C)(C(=O)[O-])C1	ZINC001599130700	997936937	/nfs/dbraw/zinc/93/69/37/997936937.db2.gz	PYIOMVUISQSMER-BXUZGUMPSA-N	-1	0	289.291	0.657	20	30		CCEDRM
COCC#CC(=O)N[C@H]1CCOC2(CC(C(=O)[O-])C2)C1	ZINC001599138171	998080609	/nfs/dbraw/zinc/08/06/09/998080609.db2.gz	JKCOYJUTSIICHU-CVZZAPKMSA-N	-1	0	281.308	0.165	20	30		CCEDRM
COCC#CC(=O)N[C@H](C(=O)[O-])c1ccc(OC)c(O)c1	ZINC001599138501	998086442	/nfs/dbraw/zinc/08/64/42/998086442.db2.gz	NHDHPPGASAEYGX-ZDUSSCGKSA-N	-1	0	293.275	0.293	20	30		CCEDRM
C[C@@H]1[C@H](C(=O)[O-])CCN1C(=O)C(=O)N1CC[C@](C)(C#N)C1	ZINC001594137193	998387270	/nfs/dbraw/zinc/38/72/70/998387270.db2.gz	CDLYHLMBOVONOO-GPCCPHFNSA-N	-1	0	293.323	0.070	20	30		CCEDRM
COC[C@@H](NC(=O)[C@@H](C#N)CCc1ccccc1)C(=O)[O-]	ZINC001599170675	998606346	/nfs/dbraw/zinc/60/63/46/998606346.db2.gz	ZQQXQVJHFKBPQN-CHWSQXEVSA-N	-1	0	290.319	0.975	20	30		CCEDRM
COC(C)(C)C(=O)N1CCC(C#N)(C(=O)[O-])CC1	ZINC001599030222	999045295	/nfs/dbraw/zinc/04/52/95/999045295.db2.gz	SWKZRJIWLVQLAG-UHFFFAOYSA-N	-1	0	254.286	0.628	20	30		CCEDRM
Cc1ncc(S(=O)(=O)[N-]c2nn(C)cc2C#N)n1C	ZINC000600650416	362027296	/nfs/dbraw/zinc/02/72/96/362027296.db2.gz	KUKBEAREQFQVIB-UHFFFAOYSA-N	-1	0	280.313	0.135	20	30		CCEDRM
C=CCCNC(=O)N1C[C@@H](C(=O)OC)CC[C@@H]1C(=O)[O-]	ZINC000600944550	362095418	/nfs/dbraw/zinc/09/54/18/362095418.db2.gz	UPZCMIURHCBEAW-VHSXEESVSA-N	-1	0	284.312	0.610	20	30		CCEDRM
Cc1[n-][nH]c(=NC(=O)[C@@]23C[C@@H]2COC3(C)C)c1C#N	ZINC000601678995	362352502	/nfs/dbraw/zinc/35/25/02/362352502.db2.gz	IQZOQSMYEDBSHL-AMIZOPFISA-N	-1	0	260.297	0.765	20	30		CCEDRM
Cc1cn2c(n1)C[C@@H](C(=O)N=c1[nH][n-]cc1C#N)CC2	ZINC000601636724	362334428	/nfs/dbraw/zinc/33/44/28/362334428.db2.gz	NTDMHNKXZYTZOQ-VIFPVBQESA-N	-1	0	270.296	0.409	20	30		CCEDRM
CCN(C(=O)CCn1cc(C#N)c(=O)[n-]c1=O)C1CC1	ZINC000602049446	362468640	/nfs/dbraw/zinc/46/86/40/362468640.db2.gz	NYTDKCLDOHAGIE-UHFFFAOYSA-N	-1	0	276.296	0.222	20	30		CCEDRM
C[C@@H]1CN(C(=O)CCn2cc(C#N)c(=O)[n-]c2=O)C[C@H]1C	ZINC000602110121	362494781	/nfs/dbraw/zinc/49/47/81/362494781.db2.gz	XVPRNSGFYPVUIF-NXEZZACHSA-N	-1	0	290.323	0.325	20	30		CCEDRM
Cc1nc(C(=O)NCc2n[nH]c(=O)[n-]2)ccc1C#N	ZINC000358350751	232086476	/nfs/dbraw/zinc/08/64/76/232086476.db2.gz	DZSRHUGPILRISC-UHFFFAOYSA-N	-1	0	258.241	0.015	20	30		CCEDRM
Cc1ccc(S(=O)(=O)[N-]c2n[nH]cc2C#N)o1	ZINC000358512373	232115482	/nfs/dbraw/zinc/11/54/82/232115482.db2.gz	IWZTVXTWIAIVLS-UHFFFAOYSA-N	-1	0	252.255	0.984	20	30		CCEDRM
C=C(C)CN(C)C(=O)CCn1cc(C#N)c(=O)[n-]c1=O	ZINC000602143638	362521323	/nfs/dbraw/zinc/52/13/23/362521323.db2.gz	NOSLPIGQKZHTGN-UHFFFAOYSA-N	-1	0	276.296	0.245	20	30		CCEDRM
C[C@H]1C[C@H](C)N1C(=O)CCn1cc(C#N)c(=O)[n-]c1=O	ZINC000602143150	362521832	/nfs/dbraw/zinc/52/18/32/362521832.db2.gz	IZLWSMDCQDYSCT-IUCAKERBSA-N	-1	0	276.296	0.220	20	30		CCEDRM
CCC1(C)CN(C(=O)CCn2cc(C#N)c(=O)[n-]c2=O)C1	ZINC000602152107	362528054	/nfs/dbraw/zinc/52/80/54/362528054.db2.gz	FJAKVBRAFLSSNA-UHFFFAOYSA-N	-1	0	290.323	0.469	20	30		CCEDRM
N#Cc1cn(CCC(=O)N2CC[C@H]2C(F)F)c(=O)[n-]c1=O	ZINC000602154971	362529909	/nfs/dbraw/zinc/52/99/09/362529909.db2.gz	JJLMSUUFBKKPDT-QMMMGPOBSA-N	-1	0	298.249	0.077	20	30		CCEDRM
Cc1nc(C(=O)N[C@@]2(C(=O)[O-])CCOC2)ccc1C#N	ZINC000085854355	179189497	/nfs/dbraw/zinc/18/94/97/179189497.db2.gz	YJMRDFCCLJRNPO-ZDUSSCGKSA-N	-1	0	275.264	0.235	20	30		CCEDRM
CN(CC(=O)[O-])S(=O)(=O)Cc1ccc(F)cc1C#N	ZINC000263548998	137068229	/nfs/dbraw/zinc/06/82/29/137068229.db2.gz	JHIZDLKMHCHDIX-UHFFFAOYSA-N	-1	0	286.284	0.544	20	30		CCEDRM
CCc1nc(C(=O)N=c2[n-]n(C)cc2C#N)c(C)o1	ZINC000342513009	137098369	/nfs/dbraw/zinc/09/83/69/137098369.db2.gz	JCMUCRCUWKJAQG-UHFFFAOYSA-N	-1	0	259.269	0.825	20	30		CCEDRM
N#Cc1ncn(CCN=c2nc(-c3ccccc3)o[n-]2)n1	ZINC000343510687	137139484	/nfs/dbraw/zinc/13/94/84/137139484.db2.gz	VPHDIHZVCHXVTD-UHFFFAOYSA-N	-1	0	281.279	0.734	20	30		CCEDRM
Cn1cc(C#N)c(=NC(=O)c2cn3ccnc3s2)[n-]1	ZINC000344037789	137174170	/nfs/dbraw/zinc/17/41/70/137174170.db2.gz	DEQCPHAMZAJNFU-UHFFFAOYSA-N	-1	0	272.293	0.675	20	30		CCEDRM
Cn1cc(C#N)c(=NC(=O)N[C@@H]2C[C@H]3CC[C@@H]2O3)[n-]1	ZINC000602886051	362864748	/nfs/dbraw/zinc/86/47/48/362864748.db2.gz	IRLYGIPFWIXIFG-BBBLOLIVSA-N	-1	0	261.285	0.155	20	30		CCEDRM
COCC1(CCNC(=O)N=c2[n-]n(C)cc2C#N)CC1	ZINC000602887250	362866226	/nfs/dbraw/zinc/86/62/26/362866226.db2.gz	NTHHVRNOOJQGPH-UHFFFAOYSA-N	-1	0	277.328	0.652	20	30		CCEDRM
COC[C@H]1CCCN(C(=O)N=c2[n-]n(C)cc2C#N)CC1	ZINC000602878920	362859107	/nfs/dbraw/zinc/85/91/07/362859107.db2.gz	COTUMCTWZVVGCW-NSHDSACASA-N	-1	0	291.355	0.994	20	30		CCEDRM
Cn1cc(C#N)c(=NC(=O)N2CCC[C@@H]3COC[C@@H]32)[n-]1	ZINC000602880957	362860516	/nfs/dbraw/zinc/86/05/16/362860516.db2.gz	OZGDPEXGWMAKSM-KOLCDFICSA-N	-1	0	275.312	0.356	20	30		CCEDRM
N#Cc1ccc(S(=O)(=O)N2CCO[C@H](C(=O)[O-])C2)cc1	ZINC000043703065	348312409	/nfs/dbraw/zinc/31/24/09/348312409.db2.gz	QFEQVUWACUSYLG-NSHDSACASA-N	-1	0	296.304	0.032	20	30		CCEDRM
N#Cc1nc(NC(=O)[C@@H]2CC(=O)N(C3CC3)C2)[n-]c1C#N	ZINC000045579442	348338604	/nfs/dbraw/zinc/33/86/04/348338604.db2.gz	ZPLRZEUHLUZJFT-SSDOTTSWSA-N	-1	0	284.279	0.102	20	30		CCEDRM
C[C@@H](C(=O)[O-])N(C)S(=O)(=O)Cc1cccc(C#N)c1	ZINC000054053538	348539228	/nfs/dbraw/zinc/53/92/28/348539228.db2.gz	QYUVMHQMUYISGR-VIFPVBQESA-N	-1	0	282.321	0.793	20	30		CCEDRM
C[C@H](CNS(=O)(=O)c1ccccc1C#N)C(=O)[O-]	ZINC000054333746	348550842	/nfs/dbraw/zinc/55/08/42/348550842.db2.gz	SXMFZNVBXSEILZ-MRVPVSSYSA-N	-1	0	268.294	0.557	20	30		CCEDRM
CCn1cnc(S(=O)(=O)[N-]c2n[nH]c(C)c2C#N)c1	ZINC000351689366	137442219	/nfs/dbraw/zinc/44/22/19/137442219.db2.gz	BDQOVSHUIGPRIV-UHFFFAOYSA-N	-1	0	280.313	0.607	20	30		CCEDRM
CCC[C@H](NC(=O)c1cc(C#N)c[nH]1)c1nnn[n-]1	ZINC000136648718	350425940	/nfs/dbraw/zinc/42/59/40/350425940.db2.gz	FBOBWGPSRSGCCA-QMMMGPOBSA-N	-1	0	259.273	0.671	20	30		CCEDRM
C[C@H](C#N)CN(C)C(=O)NCC1(C(=O)[O-])CCOCC1	ZINC000166142558	350796525	/nfs/dbraw/zinc/79/65/25/350796525.db2.gz	DUDGDGOIMJYQNF-SNVBAGLBSA-N	-1	0	283.328	0.669	20	30		CCEDRM
Cc1nc(CNS(=O)(=O)c2ccccc2C#N)no1	ZINC000122151137	187017674	/nfs/dbraw/zinc/01/76/74/187017674.db2.gz	ZDHGJNKGVBXOOH-UHFFFAOYSA-N	-1	0	278.293	0.728	20	30		CCEDRM
Cn1cc(C#N)c([N-]S(=O)(=O)C[C@H]2CCCCO2)n1	ZINC000123380206	187088458	/nfs/dbraw/zinc/08/84/58/187088458.db2.gz	GIDOYTIHBULVMN-SNVBAGLBSA-N	-1	0	284.341	0.603	20	30		CCEDRM
C=CCSCCNC(=O)[C@H]1CC[C@@H](C(=O)[O-])O1	ZINC000236436983	352195100	/nfs/dbraw/zinc/19/51/00/352195100.db2.gz	KZTFLSVACNSJEG-BDAKNGLRSA-N	-1	0	259.327	0.654	20	30		CCEDRM
CC#CC[C@H](NS(=O)(=O)CCCF)C(=O)[O-]	ZINC000274956542	353175546	/nfs/dbraw/zinc/17/55/46/353175546.db2.gz	GZZMHQALVYLOAR-QMMMGPOBSA-N	-1	0	251.279	0.132	20	30		CCEDRM
CC#CC[C@H](NS(=O)(=O)c1cccs1)C(=O)[O-]	ZINC000274976960	353177042	/nfs/dbraw/zinc/17/70/42/353177042.db2.gz	JIEQZNIIZVYHLK-QMMMGPOBSA-N	-1	0	273.335	0.893	20	30		CCEDRM
N#Cc1ccc(O[C@H]2CCN(Cc3nc(=O)[n-][nH]3)C2)nc1	ZINC000292364431	198259705	/nfs/dbraw/zinc/25/97/05/198259705.db2.gz	YDFGJNMFSFVMNY-JTQLQIEISA-N	-1	0	286.295	0.018	20	30		CCEDRM
CC#CC[C@H](NS(=O)(=O)c1cnc(C)s1)C(=O)[O-]	ZINC000275074515	353183267	/nfs/dbraw/zinc/18/32/67/353183267.db2.gz	XHQRASWHFQPQBV-QMMMGPOBSA-N	-1	0	288.350	0.596	20	30		CCEDRM
Cc1cccc(S(=O)(=O)NC2(C(=O)[O-])CC2)c1C#N	ZINC000282933017	353465105	/nfs/dbraw/zinc/46/51/05/353465105.db2.gz	UGARWULTIJYGMM-UHFFFAOYSA-N	-1	0	280.305	0.762	20	30		CCEDRM
O=C(N=c1[n-]nc(C(F)(F)F)s1)N[C@H]1[C@@H]2COC[C@@H]21	ZINC000330024393	354286541	/nfs/dbraw/zinc/28/65/41/354286541.db2.gz	JTEIGLMCTOLIPQ-SCDXWVJYSA-N	-1	0	294.258	0.950	20	30		CCEDRM
C#CCNC(=O)c1ccccc1[N-]S(=O)(=O)C1CC1	ZINC000171336500	188730764	/nfs/dbraw/zinc/73/07/64/188730764.db2.gz	MIEPXKXMMUQPLY-UHFFFAOYSA-N	-1	0	278.333	0.954	20	30		CCEDRM
C=CC1CCN(C(=O)c2cnc([O-])n(C)c2=O)CC1	ZINC000335824899	355020949	/nfs/dbraw/zinc/02/09/49/355020949.db2.gz	HXHWALLNEHRJFC-UHFFFAOYSA-N	-1	0	263.297	0.524	20	30		CCEDRM
Cn1cc([N-]S(=O)(=O)c2c(F)cc(C#N)cc2F)nn1	ZINC000359467418	137951442	/nfs/dbraw/zinc/95/14/42/137951442.db2.gz	AVKCDGMECLKSAE-UHFFFAOYSA-N	-1	0	299.262	0.766	20	30		CCEDRM
N#Cc1cc(C(=O)NCCc2nc(=O)o[n-]2)ccc1Cl	ZINC000560014578	291090434	/nfs/dbraw/zinc/09/04/34/291090434.db2.gz	MXHPNIMMLJEMPS-UHFFFAOYSA-N	-1	0	292.682	0.860	20	30		CCEDRM
N#Cc1ccc(S(=O)(=O)[N-]c2cnn(CCO)c2)s1	ZINC000619547358	366278912	/nfs/dbraw/zinc/27/89/12/366278912.db2.gz	PMCLOHRDNHPUGM-UHFFFAOYSA-N	-1	0	298.349	0.609	20	30		CCEDRM
Cn1ccnc1-c1cc(=NC(=O)c2cc(C#N)ccn2)[nH][n-]1	ZINC000355047182	356558712	/nfs/dbraw/zinc/55/87/12/356558712.db2.gz	QTVIIVWCOVIEOG-UHFFFAOYSA-N	-1	0	293.290	0.751	20	30		CCEDRM
COC(=O)c1ccc(=NC(=O)NCC2(CC#N)CC2)[n-]n1	ZINC000619629132	366304532	/nfs/dbraw/zinc/30/45/32/366304532.db2.gz	HGSGESDYAZAJJI-UHFFFAOYSA-N	-1	0	289.295	0.500	20	30		CCEDRM
CO[C@@H]1CCN(C(=O)N=c2[n-]n(C)cc2C#N)[C@H](C)C1	ZINC000619662356	366315567	/nfs/dbraw/zinc/31/55/67/366315567.db2.gz	CNFNZPYLGWKXJS-MWLCHTKSSA-N	-1	0	277.328	0.745	20	30		CCEDRM
Cn1cc(C#N)c(=NC(=O)N[C@H]2CSC2(C)C)[n-]1	ZINC000619795481	366355754	/nfs/dbraw/zinc/35/57/54/366355754.db2.gz	NTCOPAUPHDNLGQ-QMMMGPOBSA-N	-1	0	265.342	0.729	20	30		CCEDRM
Cn1cc(C#N)c(=NC(=O)N2CC[C@H](OC(F)F)C2)[n-]1	ZINC000619795447	366355769	/nfs/dbraw/zinc/35/57/69/366355769.db2.gz	LWWGNMRVJLJEBB-QMMMGPOBSA-N	-1	0	285.254	0.559	20	30		CCEDRM
COc1ccc(CNC(=O)N=c2[n-]n(C)cc2C#N)cn1	ZINC000610527859	363572959	/nfs/dbraw/zinc/57/29/59/363572959.db2.gz	UBXIEQLQBWLQSF-UHFFFAOYSA-N	-1	0	286.295	0.439	20	30		CCEDRM
CO[C@@H]1CCCN(C(=O)N=c2[n-]n(C)cc2C#N)C1	ZINC000610560385	363575243	/nfs/dbraw/zinc/57/52/43/363575243.db2.gz	BLXFKOVHARRIET-SNVBAGLBSA-N	-1	0	263.301	0.356	20	30		CCEDRM
Cc1noc([C@@H](C)NC(=O)N=c2[n-]n(C)cc2C#N)n1	ZINC000610561066	363576771	/nfs/dbraw/zinc/57/67/71/363576771.db2.gz	CXTADSJUBZAPRE-ZCFIWIBFSA-N	-1	0	275.272	0.288	20	30		CCEDRM
Cn1cc(C#N)c(=NC(=O)N[C@@H]2CCSC2)[n-]1	ZINC000610569844	363580435	/nfs/dbraw/zinc/58/04/35/363580435.db2.gz	BJFXUNORXATKBO-MRVPVSSYSA-N	-1	0	251.315	0.341	20	30		CCEDRM
COC(=O)C(C)(C)CNC(=O)N=c1[n-]n(C)cc1C#N	ZINC000610698475	363600775	/nfs/dbraw/zinc/60/07/75/363600775.db2.gz	HXDRUNYWCKTESA-UHFFFAOYSA-N	-1	0	279.300	0.034	20	30		CCEDRM
Cn1cc(C#N)c(=NC(=O)N[C@@H]2CCc3c[nH]nc3C2)[n-]1	ZINC000610718293	363604361	/nfs/dbraw/zinc/60/43/61/363604361.db2.gz	KQQLQJJFSRLGOB-SNVBAGLBSA-N	-1	0	285.311	0.116	20	30		CCEDRM
Cn1cnc(=NC(=O)N2CCC(CCC#N)CC2)[n-]1	ZINC000563098272	358556164	/nfs/dbraw/zinc/55/61/64/358556164.db2.gz	PNYSAHQSOABQIG-UHFFFAOYSA-N	-1	0	262.317	0.785	20	30		CCEDRM
Cn1cc(C#N)c(=NC(=O)N2CCSC[C@H]2CCO)[n-]1	ZINC000610876660	363625109	/nfs/dbraw/zinc/62/51/09/363625109.db2.gz	LLIOZUONDGMNIV-SNVBAGLBSA-N	-1	0	295.368	0.045	20	30		CCEDRM
Cn1cc(C#N)c(=NC(=O)N2CC[C@@]3(C2)CCCOC3)[n-]1	ZINC000585797237	359277030	/nfs/dbraw/zinc/27/70/30/359277030.db2.gz	JJWMHZIYZKGPCN-CQSZACIVSA-N	-1	0	289.339	0.748	20	30		CCEDRM
COC(=O)c1ccc(=NC(=O)c2cnccc2C#N)[n-]n1	ZINC000588985995	359355832	/nfs/dbraw/zinc/35/58/32/359355832.db2.gz	MDAJHTNTMCCDAX-UHFFFAOYSA-N	-1	0	283.247	0.204	20	30		CCEDRM
Cc1[n-][nH]c(=NC(=O)[C@H](C)N2CCSCC2)c1C#N	ZINC000588717828	359334430	/nfs/dbraw/zinc/33/44/30/359334430.db2.gz	DVTJGVJVCYVCBE-VIFPVBQESA-N	-1	0	279.369	0.388	20	30		CCEDRM
C[C@H](C(=O)N=c1[nH][n-]c(C2CC2)c1C#N)n1cccn1	ZINC000588767544	359336176	/nfs/dbraw/zinc/33/61/76/359336176.db2.gz	UZMMHQWRHVEXMO-MRVPVSSYSA-N	-1	0	270.296	0.977	20	30		CCEDRM
CC[C@H](C)[C@@H](CNC(=O)N=c1[n-]n(C)cc1C#N)OC	ZINC000590819569	359526615	/nfs/dbraw/zinc/52/66/15/359526615.db2.gz	NEWGPHNBHVSITH-GXSJLCMTSA-N	-1	0	279.344	0.896	20	30		CCEDRM
N#Cc1cnc(N2CCO[C@H](C(=O)[O-])C2)c(Cl)c1	ZINC000591325424	359577738	/nfs/dbraw/zinc/57/77/38/359577738.db2.gz	RDQTWOZCJGHUNS-VIFPVBQESA-N	-1	0	267.672	0.896	20	30		CCEDRM
CC[C@@H](CS(=O)(=O)[N-]c1ncc(C#N)s1)OC	ZINC000591498753	359597685	/nfs/dbraw/zinc/59/76/85/359597685.db2.gz	AXVSFFYRDFDHOC-ZETCQYMHSA-N	-1	0	275.355	0.603	20	30		CCEDRM
N#Cc1cccc(N2CC[C@@H](n3cc(C(=O)[O-])nn3)C2)n1	ZINC000591687345	359639630	/nfs/dbraw/zinc/63/96/30/359639630.db2.gz	KAWUKXDDECRYKA-SNVBAGLBSA-N	-1	0	284.279	0.694	20	30		CCEDRM
N#CCc1cccc(S(=O)(=O)N[C@H]2C[C@H](C(=O)[O-])C2)c1	ZINC000591741051	359651300	/nfs/dbraw/zinc/65/13/00/359651300.db2.gz	NARQYQBTHIIIRV-XYPYZODXSA-N	-1	0	294.332	0.894	20	30		CCEDRM
CC[C@@H](CCNS(=O)(=O)c1cncc(C#N)c1)C(=O)[O-]	ZINC000297324097	200149047	/nfs/dbraw/zinc/14/90/47/200149047.db2.gz	XEKFLILZYSMGFU-JTQLQIEISA-N	-1	0	297.336	0.732	20	30		CCEDRM
Cc1c(C#N)c(=NC(=O)[C@H](C)OC[C@H]2CCCO2)[n-]n1C	ZINC000592647330	359908358	/nfs/dbraw/zinc/90/83/58/359908358.db2.gz	TYCRTZQIUUYQBX-WDEREUQCSA-N	-1	0	292.339	0.545	20	30		CCEDRM
CC[C@@H]1CC[C@H](C(=O)N=c2[n-]n(C)c(C)c2C#N)O1	ZINC000592655076	359910278	/nfs/dbraw/zinc/91/02/78/359910278.db2.gz	VLFLMJDVFCVOMO-MWLCHTKSSA-N	-1	0	262.313	0.918	20	30		CCEDRM
C[C@@H](CC#N)N(C)S(=O)(=O)NCC(C)(C)CC(=O)[O-]	ZINC000593256209	360056672	/nfs/dbraw/zinc/05/66/72/360056672.db2.gz	FRLXDRNYPKGLFI-VIFPVBQESA-N	-1	0	291.373	0.556	20	30		CCEDRM
C[C@H](CC#N)N(C)S(=O)(=O)N1CCC[C@@]1(C)C(=O)[O-]	ZINC000593270397	360058754	/nfs/dbraw/zinc/05/87/54/360058754.db2.gz	QYLTXTPRSDZWMH-KOLCDFICSA-N	-1	0	289.357	0.404	20	30		CCEDRM
C=CCCn1cc(C[S@](=O)[C@H](CC)C(=O)[O-])nn1	ZINC000593931316	360219611	/nfs/dbraw/zinc/21/96/11/360219611.db2.gz	INQBQFKRHCKUTD-MGNBDDOMSA-N	-1	0	271.342	0.966	20	30		CCEDRM
CCN(C[C@@H](C)C#N)S(=O)(=O)N[C@@H](CCF)C(=O)[O-]	ZINC000594573223	360333152	/nfs/dbraw/zinc/33/31/52/360333152.db2.gz	LDXXSBATCNIHGN-IUCAKERBSA-N	-1	0	295.336	0.115	20	30		CCEDRM
N#Cc1ccc(CCNC(=O)N[C@H](CF)C(=O)[O-])cc1	ZINC000594690148	360360174	/nfs/dbraw/zinc/36/01/74/360360174.db2.gz	GAYBTKYXKLQFGV-LLVKDONJSA-N	-1	0	279.271	0.823	20	30		CCEDRM
C[C@H](C(=O)[O-])C(=O)N1CCN(c2ccsc2C#N)CC1	ZINC000594749495	360376010	/nfs/dbraw/zinc/37/60/10/360376010.db2.gz	RIJUNBUECHQXOC-VIFPVBQESA-N	-1	0	293.348	0.989	20	30		CCEDRM
Cc1nn2c([n-]nc2SCC2(CC#N)CC2)nc1=O	ZINC000594889136	360410436	/nfs/dbraw/zinc/41/04/36/360410436.db2.gz	YWUUHXAKCNPFRH-UHFFFAOYSA-N	-1	0	276.325	0.907	20	30		CCEDRM
N#CCCCCNC(=O)C(=O)NCC1(C(=O)[O-])CCC1	ZINC000595275700	360474521	/nfs/dbraw/zinc/47/45/21/360474521.db2.gz	RRKKQZCFAAFEKJ-UHFFFAOYSA-N	-1	0	281.312	0.168	20	30		CCEDRM
N#Cc1c(N[C@@H]2C[C@H](C(=O)[O-])C[C@H]2O)nc2ccccn21	ZINC000595978832	360754671	/nfs/dbraw/zinc/75/46/71/360754671.db2.gz	PKAKWFPELHUBDC-IQJOONFLSA-N	-1	0	286.291	0.842	20	30		CCEDRM
N#Cc1c(F)cccc1O[C@H]1CCN(CC(=O)[O-])C1=O	ZINC000596012328	360775233	/nfs/dbraw/zinc/77/52/33/360775233.db2.gz	IZUKXUKSVBUTQR-NSHDSACASA-N	-1	0	278.239	0.762	20	30		CCEDRM
CC[C@H](C(=O)[O-])N(C)S(=O)(=O)c1ccc(C#N)o1	ZINC000563829704	291253545	/nfs/dbraw/zinc/25/35/45/291253545.db2.gz	FPWBGUFXPMIRES-MRVPVSSYSA-N	-1	0	272.282	0.635	20	30		CCEDRM
CN(Cc1n[n-]c(=O)o1)C(=O)c1ccc(C#N)n1C	ZINC000598745787	361508140	/nfs/dbraw/zinc/50/81/40/361508140.db2.gz	PVRLZTDXFPFOLZ-UHFFFAOYSA-N	-1	0	261.241	0.258	20	30		CCEDRM
CS(=O)(=O)[N-]c1ccc(C(=O)NC2(C#N)CCC2)cn1	ZINC000599182864	361602343	/nfs/dbraw/zinc/60/23/43/361602343.db2.gz	NLFFRNMPEQKPHT-UHFFFAOYSA-N	-1	0	294.336	0.629	20	30		CCEDRM
C[C@@H](C#N)CN(C)C(=O)c1ccc([N-]S(C)(=O)=O)nc1	ZINC000599141954	361587995	/nfs/dbraw/zinc/58/79/95/361587995.db2.gz	JXFXLSCODMBGDA-VIFPVBQESA-N	-1	0	296.352	0.685	20	30		CCEDRM
C=CC[C@H](C)[N-]S(=O)(=O)c1nn(C)cc1[N+](=O)[O-]	ZINC000599237462	361617641	/nfs/dbraw/zinc/61/76/41/361617641.db2.gz	RHJCXVJUQJMNRJ-ZETCQYMHSA-N	-1	0	274.302	0.571	20	30		CCEDRM
COC(=O)c1cc(S(=O)(=O)[N-]CC2(C#N)CCC2)on1	ZINC000599325328	361651991	/nfs/dbraw/zinc/65/19/91/361651991.db2.gz	DJCPWOVYZOWTKI-UHFFFAOYSA-N	-1	0	299.308	0.433	20	30		CCEDRM
C=CCCC[C@H](C)NC(=O)C(=O)NC[C@@H](C)C(=O)[O-]	ZINC000655986730	412726060	/nfs/dbraw/zinc/72/60/60/412726060.db2.gz	HHCWRYHBRFRTDO-ZJUUUORDSA-N	-1	0	270.329	0.684	20	30		CCEDRM
Cn1ncc(C#N)c1[N-]S(=O)(=O)c1ccc(C#N)o1	ZINC000342550418	216395515	/nfs/dbraw/zinc/39/55/15/216395515.db2.gz	BETNERLAFXXUKY-UHFFFAOYSA-N	-1	0	277.265	0.557	20	30		CCEDRM
Cc1nc([N-]S(C)(=O)=O)n(-c2ccc(C#N)cc2)n1	ZINC000614079738	364496882	/nfs/dbraw/zinc/49/68/82/364496882.db2.gz	SIGJGZOBXNPDPS-UHFFFAOYSA-N	-1	0	277.309	0.241	20	30		CCEDRM
Cn1cc(C#N)c(=NC(=O)N2CCC[C@@H]2CCO)[n-]1	ZINC000614688557	364698424	/nfs/dbraw/zinc/69/84/24/364698424.db2.gz	DVJBKAXTCFFSTK-SNVBAGLBSA-N	-1	0	263.301	0.092	20	30		CCEDRM
C=CCCS(=O)(=O)N[C@H](C[C@H](OC)C1CC1)C(=O)[O-]	ZINC000656170533	412757841	/nfs/dbraw/zinc/75/78/41/412757841.db2.gz	XYVJYJRVKZHGMM-MNOVXSKESA-N	-1	0	291.369	0.750	20	30		CCEDRM
C=CC[C@H]1CCN(C(=O)C(=O)NCCCC(=O)[O-])C1	ZINC000627276601	368941320	/nfs/dbraw/zinc/94/13/20/368941320.db2.gz	KKUDLYGIMLZAJW-JTQLQIEISA-N	-1	0	268.313	0.392	20	30		CCEDRM
C=C(C)C[C@@H](NC(=O)c1cnc2n1CCC2)C(=O)[O-]	ZINC000630322015	370047011	/nfs/dbraw/zinc/04/70/11/370047011.db2.gz	OGKUXNSXSJPJMB-SECBINFHSA-N	-1	0	263.297	0.979	20	30		CCEDRM
C=CCn1cc(C(=O)N2C[C@@H](OC)C[C@]2(C)C(=O)[O-])nn1	ZINC000630308490	370040949	/nfs/dbraw/zinc/04/09/49/370040949.db2.gz	BZVAZKNBMITCFA-TVQRCGJNSA-N	-1	0	294.311	0.168	20	30		CCEDRM
C=CCC[C@@H](NC(=O)Cn1ccccc1=O)C(=O)[O-]	ZINC000630181371	369994342	/nfs/dbraw/zinc/99/43/42/369994342.db2.gz	INIPPYMPSSXKAC-SNVBAGLBSA-N	-1	0	264.281	0.384	20	30		CCEDRM
C=CCC[C@@H](NC(=O)COCc1ccnn1C)C(=O)[O-]	ZINC000630183640	369995189	/nfs/dbraw/zinc/99/51/89/369995189.db2.gz	ZUOIJADKYLFNLE-LLVKDONJSA-N	-1	0	281.312	0.472	20	30		CCEDRM
C=C(C)C[C@H](NC(=O)NC[C@H](C)COC)C(=O)[O-]	ZINC000630479538	370130122	/nfs/dbraw/zinc/13/01/22/370130122.db2.gz	GJZUWVXYPNWGFQ-UWVGGRQHSA-N	-1	0	258.318	0.988	20	30		CCEDRM
C=CCOC[C@H](NC(=O)N[C@@H]1C[C@@H](C)O[C@@H]1C)C(=O)[O-]	ZINC000630497207	370136330	/nfs/dbraw/zinc/13/63/30/370136330.db2.gz	IPCBHXXFYMFXTI-DBIOUOCHSA-N	-1	0	286.328	0.507	20	30		CCEDRM
C[C@H](C#N)CN(C)S(=O)(=O)N[C@@H](C(=O)[O-])C(C)(C)C	ZINC000576403714	327030741	/nfs/dbraw/zinc/03/07/41/327030741.db2.gz	XHHCXMBHPJKZLN-BDAKNGLRSA-N	-1	0	291.373	0.412	20	30		CCEDRM
C=CCC[C@H](NC(=O)[C@H](OC)[C@@H]1CCOC1)C(=O)[O-]	ZINC000656492056	412814389	/nfs/dbraw/zinc/81/43/89/412814389.db2.gz	UPGBSMZEMPZKFE-OUAUKWLOSA-N	-1	0	271.313	0.574	20	30		CCEDRM
C=CCCNC(=O)N[C@@H](C(=O)[O-])[C@@H]1CCCOC1	ZINC000656588668	412830846	/nfs/dbraw/zinc/83/08/46/412830846.db2.gz	POFWASHKZVVAQQ-NXEZZACHSA-N	-1	0	256.302	0.742	20	30		CCEDRM
C=CCCNS(=O)(=O)c1ccc2c(c1)C[C@H](C(=O)[O-])O2	ZINC000656718540	412846509	/nfs/dbraw/zinc/84/65/09/412846509.db2.gz	UKHVLDFNTQJJPV-GFCCVEGCSA-N	-1	0	297.332	0.929	20	30		CCEDRM
C=CCOCCCC(=O)N[C@@]1(C(=O)[O-])CCOC1	ZINC000262057960	190047973	/nfs/dbraw/zinc/04/79/73/190047973.db2.gz	GPFOVICRHVUZEK-LBPRGKRZSA-N	-1	0	257.286	0.329	20	30		CCEDRM
C[C@@H](C(=O)[O-])N(C)S(=O)(=O)c1ccc(C#N)o1	ZINC000262292308	190052335	/nfs/dbraw/zinc/05/23/35/190052335.db2.gz	HQCZYODDRYWPKS-LURJTMIESA-N	-1	0	258.255	0.245	20	30		CCEDRM
CC(C)CCc1n[n-]c(=NC(=O)NCC#CCO)s1	ZINC000640347456	376333876	/nfs/dbraw/zinc/33/38/76/376333876.db2.gz	IUOJXTQBDULWQF-UHFFFAOYSA-N	-1	0	282.369	0.666	20	30		CCEDRM
C=CCOCCCC(=O)N1CCO[C@@H](CC(=O)[O-])C1	ZINC000262872936	190064631	/nfs/dbraw/zinc/06/46/31/190064631.db2.gz	XWKMPVWUMYPNNB-NSHDSACASA-N	-1	0	271.313	0.671	20	30		CCEDRM
C#CCCNC(=O)c1cc(F)ccc1[N-]S(C)(=O)=O	ZINC000264950684	190147026	/nfs/dbraw/zinc/14/70/26/190147026.db2.gz	KYXWZXDBNIQQQY-UHFFFAOYSA-N	-1	0	284.312	0.950	20	30		CCEDRM
N#Cc1ccc(CCC(=O)NCCc2nc(=O)o[n-]2)cc1	ZINC000518357899	249246562	/nfs/dbraw/zinc/24/65/62/249246562.db2.gz	KQPMDTRDGVVEAI-UHFFFAOYSA-N	-1	0	286.291	0.526	20	30		CCEDRM
Cc1[n-][nH]c(=NC(=O)[C@@H]2CC(=O)N(CC(C)C)C2)c1C#N	ZINC000518423265	249249599	/nfs/dbraw/zinc/24/95/99/249249599.db2.gz	PWUKGDZCECVKFL-SNVBAGLBSA-N	-1	0	289.339	0.455	20	30		CCEDRM
CC#CC[C@H](CO)NS(=O)(=O)c1ccccc1[O-]	ZINC000657021151	412874583	/nfs/dbraw/zinc/87/45/83/412874583.db2.gz	OGFQROQGLPNWGS-SNVBAGLBSA-N	-1	0	269.322	0.445	20	30		CCEDRM
CCn1cc(S(=O)(=O)[N-]c2cc(C)c(C#N)cn2)cn1	ZINC000571226145	291800698	/nfs/dbraw/zinc/80/06/98/291800698.db2.gz	IUEASTKOTHPAIZ-UHFFFAOYSA-N	-1	0	291.336	0.701	20	30		CCEDRM
CC(C)(C)[C@@H](NS(=O)(=O)c1ccc(C#N)o1)C(=O)[O-]	ZINC000287326757	196832412	/nfs/dbraw/zinc/83/24/12/196832412.db2.gz	VOCCLEKURDWUHG-VIFPVBQESA-N	-1	0	286.309	0.929	20	30		CCEDRM
N#CC1(NC(=O)CSc2n[nH]c(=O)[n-]2)CCCCC1	ZINC000187637811	388888565	/nfs/dbraw/zinc/88/85/65/388888565.db2.gz	XENUONXDPANQKA-UHFFFAOYSA-N	-1	0	281.341	0.945	20	30		CCEDRM
CCn1ncc(C#N)c1[N-]S(=O)(=O)CCOC	ZINC000187766529	388895962	/nfs/dbraw/zinc/89/59/62/388895962.db2.gz	YBJSGRKVRYRVIP-UHFFFAOYSA-N	-1	0	258.303	0.163	20	30		CCEDRM
C#CCO[N-]C(=O)[C@@H](C)N1C(=O)c2ccc(C)cc2C1=O	ZINC000298558279	389030153	/nfs/dbraw/zinc/03/01/53/389030153.db2.gz	YYDXFMHHTHEKAX-SNVBAGLBSA-N	-1	0	286.287	0.661	20	30		CCEDRM
CCN(CC#N)S(=O)(=O)c1cc(C(=O)[O-])cs1	ZINC000355411803	389074882	/nfs/dbraw/zinc/07/48/82/389074882.db2.gz	QXMGYDLBNRKJAF-UHFFFAOYSA-N	-1	0	274.323	0.980	20	30		CCEDRM
C=CCNc1ncc(C(=O)N=c2[nH][n-]c(C)c2C#N)s1	ZINC000357249064	389132793	/nfs/dbraw/zinc/13/27/93/389132793.db2.gz	WRXPJIFHIIMKRB-UHFFFAOYSA-N	-1	0	288.336	0.740	20	30		CCEDRM
N#CCc1cccc(C(=O)NCCc2nc(=N)[n-]o2)c1	ZINC000358653253	389157226	/nfs/dbraw/zinc/15/72/26/389157226.db2.gz	VIPXIOCQKNGFLO-UHFFFAOYSA-N	-1	0	271.280	0.521	20	30		CCEDRM
O=C(N[C@H]1CCCOC1)c1cccn2c([O-])nnc12	ZINC000329363638	389160081	/nfs/dbraw/zinc/16/00/81/389160081.db2.gz	ZOPKUGZNRHGHJE-QMMMGPOBSA-N	-1	0	262.269	0.919	20	30		CCEDRM
CC(C)Oc1ccc(=NC(=O)N[C@H](C)CO)[n-]n1	ZINC000330587569	389244043	/nfs/dbraw/zinc/24/40/43/389244043.db2.gz	XEHKUUATCBPRRA-MRVPVSSYSA-N	-1	0	254.290	0.392	20	30		CCEDRM
COc1cc2c(cc1F)[n-]cc(C(=O)NCC#N)c2=O	ZINC000343284652	389262215	/nfs/dbraw/zinc/26/22/15/389262215.db2.gz	UQDIIHYEOJLCNQ-UHFFFAOYSA-N	-1	0	275.239	0.929	20	30		CCEDRM
CO[C@H](CNC(=O)c1cccc(CC#N)c1)C(=O)[O-]	ZINC000263048155	389296926	/nfs/dbraw/zinc/29/69/26/389296926.db2.gz	FTKXFLSNOMKGBG-LLVKDONJSA-N	-1	0	262.265	0.582	20	30		CCEDRM
Cc1[nH]c(C#N)cc1C(=O)[N-]S(=O)(=O)C(C)C	ZINC000408486296	389367338	/nfs/dbraw/zinc/36/73/38/389367338.db2.gz	SATKAGRJOTWKRF-UHFFFAOYSA-N	-1	0	255.299	0.663	20	30		CCEDRM
C=CCOCCCC(=O)NC1(c2nnn[n-]2)CC1	ZINC000348299000	389373826	/nfs/dbraw/zinc/37/38/26/389373826.db2.gz	VMECYNUOAWTYTC-UHFFFAOYSA-N	-1	0	251.290	0.288	20	30		CCEDRM
CC1(O)CC(C(=O)N=c2[nH][n-]c(C3CC3)c2C#N)C1	ZINC000408463393	389354648	/nfs/dbraw/zinc/35/46/48/389354648.db2.gz	GATUETFGNULCFB-UHFFFAOYSA-N	-1	0	260.297	0.680	20	30		CCEDRM
CC[C@H](C#N)NC(=O)c1coc(S(=O)(=O)NC)c1	ZINC000270018821	389427007	/nfs/dbraw/zinc/42/70/07/389427007.db2.gz	DSXYSMPSCFUQSU-MRVPVSSYSA-N	-1	0	271.298	0.220	20	30		CCEDRM
COC(=O)[C@H](C)NC(=O)c1cc(C#N)c(SC)[n-]c1=O	ZINC000349753331	389430606	/nfs/dbraw/zinc/43/06/06/389430606.db2.gz	CGNFUSDYFKSFKJ-LURJTMIESA-N	-1	0	295.320	0.672	20	30		CCEDRM
N#C[C@H]1CC[C@@H](NS(=O)(=O)[N-]CC(F)(F)F)C1	ZINC000425192173	389641836	/nfs/dbraw/zinc/64/18/36/389641836.db2.gz	ZHXHFIFIDVOSJH-NKWVEPMBSA-N	-1	0	271.264	0.665	20	30		CCEDRM
Cc1cnn(C)c1S(=O)(=O)[N-]c1cc(C#N)ccn1	ZINC000351394621	389580584	/nfs/dbraw/zinc/58/05/84/389580584.db2.gz	HMVFTXSZWIRYJW-UHFFFAOYSA-N	-1	0	277.309	0.796	20	30		CCEDRM
Cc1noc([C@H](C)[N-]S(=O)(=O)c2cccnc2C#N)n1	ZINC000428242359	389688165	/nfs/dbraw/zinc/68/81/65/389688165.db2.gz	LXOWEHDHZFPPPZ-ZETCQYMHSA-N	-1	0	293.308	0.684	20	30		CCEDRM
Cc1[n-][nH]c(=NC(=O)[C@@H](C)NC(=O)c2ccoc2)c1C#N	ZINC000431679631	389864329	/nfs/dbraw/zinc/86/43/29/389864329.db2.gz	CUBLJKWKSLYEOV-MRVPVSSYSA-N	-1	0	287.279	0.362	20	30		CCEDRM
CCC(=O)N1CCCC[C@H]1C(=O)N=c1[nH][n-]c(C)c1C#N	ZINC000431709376	389864560	/nfs/dbraw/zinc/86/45/60/389864560.db2.gz	GGJFPEMGGTWJEH-NSHDSACASA-N	-1	0	289.339	0.741	20	30		CCEDRM
Cc1noc(C[N-]S(=O)(=O)c2ccc(F)cc2C#N)n1	ZINC000447870954	389967279	/nfs/dbraw/zinc/96/72/79/389967279.db2.gz	GPIRVTUNOMQBMZ-UHFFFAOYSA-N	-1	0	296.283	0.867	20	30		CCEDRM
C=CCOC[C@H](NC(=O)c1ncccc1O)C(=O)OC	ZINC000435945022	389967598	/nfs/dbraw/zinc/96/75/98/389967598.db2.gz	UCBITWKFPOPLGD-VIFPVBQESA-N	-1	0	280.280	0.261	20	30		CCEDRM
Cc1cc(C#N)ccc1C(=O)NCCc1nc(=N)[n-]o1	ZINC000438831155	390010734	/nfs/dbraw/zinc/01/07/34/390010734.db2.gz	JETQWNXLGPWWCC-UHFFFAOYSA-N	-1	0	271.280	0.635	20	30		CCEDRM
C=CC[C@@H](CC)NC(=O)C(=O)N1CCC[C@H](C(=O)[O-])C1	ZINC000420556075	390012337	/nfs/dbraw/zinc/01/23/37/390012337.db2.gz	JJSSYUMRYSZLRJ-WDEREUQCSA-N	-1	0	282.340	0.781	20	30		CCEDRM
N#Cc1ccc(C(=O)N2CCC[C@@H](c3nnn[n-]3)C2)[nH]1	ZINC000538225347	390189813	/nfs/dbraw/zinc/18/98/13/390189813.db2.gz	UNULCJYNQLYORI-MRVPVSSYSA-N	-1	0	271.284	0.419	20	30		CCEDRM
N#Cc1c[nH]nc1[N-]S(=O)(=O)c1cccc(C(N)=O)c1	ZINC000540210698	390218438	/nfs/dbraw/zinc/21/84/38/390218438.db2.gz	BCNHNNTXLPSGTF-UHFFFAOYSA-N	-1	0	291.292	0.181	20	30		CCEDRM
Cn1[n-]nnc1=N[C@@H]1CCCN(c2ccc(C#N)cc2)C1=O	ZINC000541869037	390250576	/nfs/dbraw/zinc/25/05/76/390250576.db2.gz	ZUZYYBYKUWLNTB-GFCCVEGCSA-N	-1	0	297.322	0.111	20	30		CCEDRM
C=CCC[C@@H](NS(=O)(=O)c1cn(C)nc1C)C(=O)[O-]	ZINC000554433413	390426456	/nfs/dbraw/zinc/42/64/56/390426456.db2.gz	MVHPRIMBOJWPJT-SECBINFHSA-N	-1	0	287.341	0.426	20	30		CCEDRM
C=CCN(CC(=O)[O-])S(=O)(=O)[C@@H]1CCO[C@@H]1C	ZINC000518764961	390493826	/nfs/dbraw/zinc/49/38/26/390493826.db2.gz	DWFDRIFZXGTAGF-RKDXNWHRSA-N	-1	0	263.315	0.066	20	30		CCEDRM
N#CCCCS(=O)(=O)NC[C@H](CC(=O)[O-])C(F)F	ZINC000564204592	390494816	/nfs/dbraw/zinc/49/48/16/390494816.db2.gz	STWZFZJGLOQGRP-ZETCQYMHSA-N	-1	0	284.284	0.566	20	30		CCEDRM
C[C@@H](CC#N)N(C)S(=O)(=O)N[C@@H](CC1CC1)C(=O)[O-]	ZINC000515853935	390477607	/nfs/dbraw/zinc/47/76/07/390477607.db2.gz	NMKKYXBKDXHKFF-WPRPVWTQSA-N	-1	0	289.357	0.308	20	30		CCEDRM
C=CCn1cc(C(=O)N[C@@](C)(C(=O)[O-])C2CC2)nn1	ZINC000649246071	390535364	/nfs/dbraw/zinc/53/53/64/390535364.db2.gz	LLQSDHJCQAIMRC-GFCCVEGCSA-N	-1	0	264.285	0.447	20	30		CCEDRM
C=CCn1cc(C(=O)N[C@H]2C[C@@H](C(=O)[O-])C2)nn1	ZINC000649251677	390538381	/nfs/dbraw/zinc/53/83/81/390538381.db2.gz	LPRNUVLSALDBRB-OCAPTIKFSA-N	-1	0	250.258	0.057	20	30		CCEDRM
C=CCC[C@H](NC(=O)[C@@H]1OC[C@H]2COCC[C@@H]21)C(=O)[O-]	ZINC000565718766	390539791	/nfs/dbraw/zinc/53/97/91/390539791.db2.gz	PWPUSJIHEKKFCS-NOOOWODRSA-N	-1	0	283.324	0.574	20	30		CCEDRM
CC#CC[C@@H](CO)NC(=O)N=c1[n-]nc(C2CC2)s1	ZINC000646172601	390623400	/nfs/dbraw/zinc/62/34/00/390623400.db2.gz	DZPXBUAVWRAZMR-VIFPVBQESA-N	-1	0	280.353	0.733	20	30		CCEDRM
CCN(C[C@@H](C)C#N)S(=O)(=O)NC[C@H](C)C(=O)[O-]	ZINC000566564054	390629675	/nfs/dbraw/zinc/62/96/75/390629675.db2.gz	LOBITLBSLFZCPQ-IUCAKERBSA-N	-1	0	277.346	0.023	20	30		CCEDRM
CCN(C[C@H](C)C#N)S(=O)(=O)NC[C@@H](C)C(=O)[O-]	ZINC000566564055	390629918	/nfs/dbraw/zinc/62/99/18/390629918.db2.gz	LOBITLBSLFZCPQ-RKDXNWHRSA-N	-1	0	277.346	0.023	20	30		CCEDRM
CC(C)CN(CC(=O)[O-])S(=O)(=O)N(C)C[C@H](C)C#N	ZINC000566311748	390596770	/nfs/dbraw/zinc/59/67/70/390596770.db2.gz	HWDMDUTXNKAGKO-SNVBAGLBSA-N	-1	0	291.373	0.365	20	30		CCEDRM
N#Cc1cncnc1N1CCC(c2n[nH]c(=O)[n-]2)CC1	ZINC000521616838	390611495	/nfs/dbraw/zinc/61/14/95/390611495.db2.gz	MTRRUVNSJTUDGV-UHFFFAOYSA-N	-1	0	271.284	0.556	20	30		CCEDRM
CC#CC[C@@H](CO)NC(=O)N=c1ncn(C(C)(C)C)[n-]1	ZINC000646353978	390670478	/nfs/dbraw/zinc/67/04/78/390670478.db2.gz	FUSBQIDQFXCVLQ-JTQLQIEISA-N	-1	0	279.344	0.351	20	30		CCEDRM
N#Cc1cc(C(=O)N2CCC[C@H](c3nnn[n-]3)C2)ccn1	ZINC000527000935	390688374	/nfs/dbraw/zinc/68/83/74/390688374.db2.gz	SUCICEWYEXJFLX-JTQLQIEISA-N	-1	0	283.295	0.486	20	30		CCEDRM
N#Cc1ccc(CC(=O)[N-]S(=O)(=O)CC2CCC2)cn1	ZINC000528973450	390785989	/nfs/dbraw/zinc/78/59/89/390785989.db2.gz	QUTMGSSOGBMQAR-UHFFFAOYSA-N	-1	0	293.348	0.742	20	30		CCEDRM
C[C@@H](C#N)CN(C)S(=O)(=O)N[C@@H](C)CCCC(=O)[O-]	ZINC000572770064	390802577	/nfs/dbraw/zinc/80/25/77/390802577.db2.gz	GAHLUBLHRAQQDL-UWVGGRQHSA-N	-1	0	291.373	0.556	20	30		CCEDRM
C=C(C)[C@H]1OCC[C@H]1C(=O)NCCOCC(=O)[O-]	ZINC000578072637	390862611	/nfs/dbraw/zinc/86/26/11/390862611.db2.gz	JMCIGAFQBJQIIH-MWLCHTKSSA-N	-1	0	257.286	0.185	20	30		CCEDRM
C=CCOC[C@@H](NC(=O)C(C)(C)n1cccn1)C(=O)[O-]	ZINC000578644753	390896402	/nfs/dbraw/zinc/89/64/02/390896402.db2.gz	FVJZMGKKHNPNKV-SNVBAGLBSA-N	-1	0	281.312	0.390	20	30		CCEDRM
COc1ccc(=NC(=O)NC[C@H]2CCCCO2)[n-]n1	ZINC000329107976	533253465	/nfs/dbraw/zinc/25/34/65/533253465.db2.gz	FLILIUTYMWWQAI-SECBINFHSA-N	-1	0	266.301	0.802	20	30		CCEDRM
C[C@@H](C#N)CN(C)S(=O)(=O)N1CC[C@H](CC(=O)[O-])C1	ZINC000578775850	390902066	/nfs/dbraw/zinc/90/20/66/390902066.db2.gz	MOLGSYYQPSNESL-VHSXEESVSA-N	-1	0	289.357	0.119	20	30		CCEDRM
COc1ccc(=NC(=O)N[C@H]2CCC[C@@H]2C#N)[n-]n1	ZINC000346679116	533254980	/nfs/dbraw/zinc/25/49/80/533254980.db2.gz	ZBZPWEDVHRONOE-BDAKNGLRSA-N	-1	0	261.285	0.721	20	30		CCEDRM
CN(C(=O)[O-])[C@@H]1CCCN(C(=O)CSCC#N)C1	ZINC000739581595	581598689	/nfs/dbraw/zinc/59/86/89/581598689.db2.gz	HFGQNUKNSUYRPV-SECBINFHSA-N	-1	0	271.342	0.844	20	30		CCEDRM
C=CCOCCNC(=O)N[C@H]1CC[C@@H](C(=O)[O-])C1	ZINC000305966173	411744637	/nfs/dbraw/zinc/74/46/37/411744637.db2.gz	CIFODRSABSLPFE-ZJUUUORDSA-N	-1	0	256.302	0.742	20	30		CCEDRM
C=CCCCNC(=O)C(=O)N=c1ncn(C(C)C)[n-]1	ZINC000651762097	411931433	/nfs/dbraw/zinc/93/14/33/411931433.db2.gz	ZHEBWJOALNZINC-UHFFFAOYSA-N	-1	0	265.317	0.302	20	30		CCEDRM
C[C@@H](NS(=O)(=O)c1ccccc1C#N)C(=O)[O-]	ZINC000020557196	171250202	/nfs/dbraw/zinc/25/02/02/171250202.db2.gz	OLMXGGQQGCVNRA-SSDOTTSWSA-N	-1	0	254.267	0.310	20	30		CCEDRM
C=CCNS(=O)(=O)c1cc(C(=O)[O-])ccc1OC	ZINC000021949626	171338826	/nfs/dbraw/zinc/33/88/26/171338826.db2.gz	XNGFCPAPQKELIJ-UHFFFAOYSA-N	-1	0	271.294	0.858	20	30		CCEDRM
C=CCOCCNC(=O)N(C)[C@H](COC(C)C)C(=O)[O-]	ZINC000654814003	412440614	/nfs/dbraw/zinc/44/06/14/412440614.db2.gz	OPHVDZDUCNBAAZ-LLVKDONJSA-N	-1	0	288.344	0.709	20	30		CCEDRM
C=CCOCCNC(=O)N[C@H](C/C=C\C)C(=O)[O-]	ZINC000654813998	412441225	/nfs/dbraw/zinc/44/12/25/412441225.db2.gz	OCGWTIVATRJILP-TZGMSPROSA-N	-1	0	256.302	0.908	20	30		CCEDRM
C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)N1CCOC[C@H]1C(=O)[O-]	ZINC000654820095	412441761	/nfs/dbraw/zinc/44/17/61/412441761.db2.gz	SWNGHQHYONNHRF-WOPDTQHZSA-N	-1	0	298.339	0.463	20	30		CCEDRM
C=CC[C@H]1CCCN(C(=O)C(=O)N(C)CCC(=O)[O-])C1	ZINC000662912535	414887521	/nfs/dbraw/zinc/88/75/21/414887521.db2.gz	HIKDEEWSMLLCBV-NSHDSACASA-N	-1	0	282.340	0.734	20	30		CCEDRM
C[C@@H](CNS(=O)(=O)c1ccc(F)c(C#N)c1)C(=O)[O-]	ZINC000071238870	176093731	/nfs/dbraw/zinc/09/37/31/176093731.db2.gz	IAQGOVDSBIQMLL-ZETCQYMHSA-N	-1	0	286.284	0.696	20	30		CCEDRM
Cc1cc(C(=O)N(C)CCC#N)[nH]c2nc(=O)[n-]c(=O)c1-2	ZINC000353841913	228158431	/nfs/dbraw/zinc/15/84/31/228158431.db2.gz	MHKNRBYSUHJXED-UHFFFAOYSA-N	-1	0	287.279	0.730	20	30		CCEDRM
C=CCOCCNC(=O)N1CCSC[C@@H]1C(=O)[O-]	ZINC000306027769	545009363	/nfs/dbraw/zinc/00/93/63/545009363.db2.gz	NCWLEXIEVSAKTE-SECBINFHSA-N	-1	0	274.342	0.401	20	30		CCEDRM
Cc1ccc(O)c(C(=O)N2CCN(CC#N)CC2)c1	ZINC000071138075	260159655	/nfs/dbraw/zinc/15/96/55/260159655.db2.gz	QTTRXKFOGBSUKM-UHFFFAOYSA-N	-1	0	259.309	0.982	20	30		CCEDRM
C=C(C)[C@H](CC(=O)N1CCO[C@@H](c2nnn[n-]2)C1)OCC	ZINC000363443603	260260689	/nfs/dbraw/zinc/26/06/89/260260689.db2.gz	XDJJDPSJJLQZJG-WDEREUQCSA-N	-1	0	295.343	0.471	20	30		CCEDRM
CCN(CCC#N)S(=O)(=O)N1CCCC[C@H]1C(=O)[O-]	ZINC000249830712	261259080	/nfs/dbraw/zinc/25/90/80/261259080.db2.gz	OTXJCHHNCVVUHJ-JTQLQIEISA-N	-1	0	289.357	0.406	20	30		CCEDRM
COC(=O)c1cc(S(=O)(=O)N[C@@H](C)CC#N)c(C)o1	ZINC000166967970	261395772	/nfs/dbraw/zinc/39/57/72/261395772.db2.gz	GYNTYGVQHYTJBJ-ZETCQYMHSA-N	-1	0	286.309	0.955	20	30		CCEDRM
C=CCNC(=O)CNC(=O)c1cc([N+](=O)[O-])ccc1[O-]	ZINC000182189270	261439451	/nfs/dbraw/zinc/43/94/51/261439451.db2.gz	XTBPFKWYHFAKDU-UHFFFAOYSA-N	-1	0	279.252	0.332	20	30		CCEDRM
C=CCS(=O)(=O)[N-]C(=O)[C@H](CC(C)C)NC(=O)OC	ZINC000497299541	262136380	/nfs/dbraw/zinc/13/63/80/262136380.db2.gz	RNUXZGFTLCHOFZ-VIFPVBQESA-N	-1	0	292.357	0.389	20	30		CCEDRM
CC[C@@H](C#N)NC(=O)C(C)(C)[N-]C(=O)C(F)(F)F	ZINC000277669975	263042992	/nfs/dbraw/zinc/04/29/92/263042992.db2.gz	OXIVHQQKYCMNBV-LURJTMIESA-N	-1	0	265.235	0.862	20	30		CCEDRM
CCCC[C@@H](ON=C(C)C)C(=O)NCCc1nc(=O)o[n-]1	ZINC000280142051	263059148	/nfs/dbraw/zinc/05/91/48/263059148.db2.gz	QGWUQWHPCGXQBI-SNVBAGLBSA-N	-1	0	298.343	0.993	20	30		CCEDRM
C[C@@H](C#N)NC(=O)c1ccccc1[N-]S(C)(=O)=O	ZINC000340450453	263155096	/nfs/dbraw/zinc/15/50/96/263155096.db2.gz	IPSUFNYOOLVIOI-QMMMGPOBSA-N	-1	0	267.310	0.700	20	30		CCEDRM
C=C[C@@H](C)NC(=O)C(=O)N=c1nc(C(C)(C)C)[n-]s1	ZINC000340800573	263306670	/nfs/dbraw/zinc/30/66/70/263306670.db2.gz	NZPXWRDHSUOQOG-SSDOTTSWSA-N	-1	0	282.369	0.887	20	30		CCEDRM
C=CCN(CC=C)C(=O)C(=O)N=c1ccc(OC)n[n-]1	ZINC000342012152	263377800	/nfs/dbraw/zinc/37/78/00/263377800.db2.gz	HTGFAURUTGFPPM-UHFFFAOYSA-N	-1	0	276.296	0.046	20	30		CCEDRM
CC(C)(C#N)CNC(=O)CSc1n[nH]c(=O)[n-]1	ZINC000330763646	264032073	/nfs/dbraw/zinc/03/20/73/264032073.db2.gz	QSRPCKANODHZEG-UHFFFAOYSA-N	-1	0	255.303	0.268	20	30		CCEDRM
CCN(C[C@H](C)C#N)S(=O)(=O)N[C@@H](C)CC(=O)[O-]	ZINC000417425262	264241277	/nfs/dbraw/zinc/24/12/77/264241277.db2.gz	XRVCPDPNLPQMHU-BDAKNGLRSA-N	-1	0	277.346	0.166	20	30		CCEDRM
CC(C)N(CC(=O)[O-])S(=O)(=O)CC1(C#N)CCC1	ZINC000417448499	264277901	/nfs/dbraw/zinc/27/79/01/264277901.db2.gz	UZNKTVKOEKLQHQ-UHFFFAOYSA-N	-1	0	274.342	0.805	20	30		CCEDRM
C#CC[C@@H](NS(=O)(=O)CC1CCCCC1)C(=O)[O-]	ZINC000161256565	264279544	/nfs/dbraw/zinc/27/95/44/264279544.db2.gz	GFXMWUFEQFBLMK-LLVKDONJSA-N	-1	0	273.354	0.963	20	30		CCEDRM
C=C[C@@H](CO)NC(=O)c1ccc(NS(C)(=O)=O)cc1	ZINC000356850850	266190107	/nfs/dbraw/zinc/19/01/07/266190107.db2.gz	RRVNWAXDLCIGBI-JTQLQIEISA-N	-1	0	284.337	0.335	20	30		CCEDRM
C=CCCCS(=O)(=O)N1CC[C@@](COC)(C(=O)[O-])C1	ZINC000575248780	335088753	/nfs/dbraw/zinc/08/87/53/335088753.db2.gz	TVHDKKYOTMLAEQ-GFCCVEGCSA-N	-1	0	291.369	0.706	20	30		CCEDRM
N#CCC1(CS(=O)(=O)NC2(C(=O)[O-])CCCC2)CC1	ZINC000582170853	328604675	/nfs/dbraw/zinc/60/46/75/328604675.db2.gz	ARKDZNXLYVRMMV-UHFFFAOYSA-N	-1	0	286.353	0.997	20	30		CCEDRM
N#CCCCS(=O)(=O)NCCCCCC(=O)[O-]	ZINC000340452326	328279342	/nfs/dbraw/zinc/27/93/42/328279342.db2.gz	QQICLIXNNGQKDM-UHFFFAOYSA-N	-1	0	262.331	0.855	20	30		CCEDRM
C#CCO[N-]C(=O)[C@H](Cc1c[nH]c2ccccc12)NC(C)=O	ZINC000291363667	328534211	/nfs/dbraw/zinc/53/42/11/328534211.db2.gz	YQCFYIMINWTUQJ-HNNXBMFYSA-N	-1	0	299.330	0.896	20	30		CCEDRM
N#CC1(CS(=O)(=O)N[C@@H](CC2CC2)C(=O)[O-])CC1	ZINC000556775625	326963376	/nfs/dbraw/zinc/96/33/76/326963376.db2.gz	NLCAPXFQBKPOEI-VIFPVBQESA-N	-1	0	272.326	0.463	20	30		CCEDRM
C=CCCCS(=O)(=O)N[C@H](C(=O)[O-])[C@@H]1CCCOC1	ZINC000573084118	327089845	/nfs/dbraw/zinc/08/98/45/327089845.db2.gz	MALWKJVZPNWUQB-MNOVXSKESA-N	-1	0	291.369	0.752	20	30		CCEDRM
C=CCCCS(=O)(=O)N[C@@H](C(=O)[O-])[C@H]1CCCOC1	ZINC000573084122	327089887	/nfs/dbraw/zinc/08/98/87/327089887.db2.gz	MALWKJVZPNWUQB-WDEREUQCSA-N	-1	0	291.369	0.752	20	30		CCEDRM
C=CCOC[C@H](NC(=O)N[C@@H]1C[C@@H]2OCCC[C@H]12)C(=O)[O-]	ZINC000570172468	327573852	/nfs/dbraw/zinc/57/38/52/327573852.db2.gz	YSQXMDIQFLZNCV-WYUUTHIRSA-N	-1	0	298.339	0.509	20	30		CCEDRM
CC[C@@H](CNS(=O)(=O)N(C)C[C@@H](C)C#N)CC(=O)[O-]	ZINC000582245064	328846114	/nfs/dbraw/zinc/84/61/14/328846114.db2.gz	XLSKLJUMFLMBFI-VHSXEESVSA-N	-1	0	291.373	0.413	20	30		CCEDRM
C=CCCO[C@H](C)C(=O)N1C[C@@H](OC)C[C@H]1C(=O)[O-]	ZINC000262216086	330001883	/nfs/dbraw/zinc/00/18/83/330001883.db2.gz	YYJWEZLQBAZIAC-VWYCJHECSA-N	-1	0	271.313	0.668	20	30		CCEDRM
N#CC1(CS(=O)(=O)N2CCC[C@@H]2C(=O)[O-])CC1	ZINC000262489046	330017186	/nfs/dbraw/zinc/01/71/86/330017186.db2.gz	XBOVQAZSTRFVMB-MRVPVSSYSA-N	-1	0	258.299	0.169	20	30		CCEDRM
C#CCOc1ccc(C(=O)N2CCO[C@H](C(=O)[O-])C2)cc1	ZINC000263012356	330038780	/nfs/dbraw/zinc/03/87/80/330038780.db2.gz	RJKBHDBMYBSVGM-ZDUSSCGKSA-N	-1	0	289.287	0.624	20	30		CCEDRM
C=CCOC[C@@H](NC(=O)c1cc(C(C)C)n(C)n1)C(=O)[O-]	ZINC000263065796	330041722	/nfs/dbraw/zinc/04/17/22/330041722.db2.gz	QXKIUOBUZHLGFT-LLVKDONJSA-N	-1	0	295.339	0.929	20	30		CCEDRM
N#CCCCS(=O)(=O)N1C[C@@H]2CCC[C@@]2(C(=O)[O-])C1	ZINC000263145970	330045686	/nfs/dbraw/zinc/04/56/86/330045686.db2.gz	KQXNKWSHNRPYBC-CMPLNLGQSA-N	-1	0	286.353	0.807	20	30		CCEDRM
C=C[C@@H]1OCC[C@H]1NC(=O)N1CC[C@@](C)(C(=O)[O-])C1	ZINC000263396196	330054158	/nfs/dbraw/zinc/05/41/58/330054158.db2.gz	RHXNFXJLMRPOPX-GBIKHYSHSA-N	-1	0	268.313	0.836	20	30		CCEDRM
C=CCCCNC(=O)C(=O)N1C[C@H](C(=O)[O-])C[C@H](C)C1	ZINC000422698891	330150811	/nfs/dbraw/zinc/15/08/11/330150811.db2.gz	BQSUECYPKDUEKS-WDEREUQCSA-N	-1	0	282.340	0.638	20	30		CCEDRM
C=CCN(C)C(=O)C(=O)N1C[C@@H](C)C[C@H](C(=O)[O-])C1	ZINC000422746315	330152959	/nfs/dbraw/zinc/15/29/59/330152959.db2.gz	ZHEWLEMGFXYCGV-UWVGGRQHSA-N	-1	0	268.313	0.200	20	30		CCEDRM
C=CC1CCN(C(=O)C(=O)N(C)C[C@@H](C)C(=O)[O-])CC1	ZINC000422823127	330156460	/nfs/dbraw/zinc/15/64/60/330156460.db2.gz	LGKISKWXFGQKSZ-SNVBAGLBSA-N	-1	0	282.340	0.590	20	30		CCEDRM
C=CCCCN(C)C(=O)C(=O)N1C[C@H](C)C[C@H](C(=O)[O-])C1	ZINC000422837497	330156791	/nfs/dbraw/zinc/15/67/91/330156791.db2.gz	USVVZMKITBIVLH-NEPJUHHUSA-N	-1	0	296.367	0.980	20	30		CCEDRM
C=CCN(C(=O)C(=O)N1CCC[C@H](C(=O)[O-])C1)C1CC1	ZINC000422906728	330159769	/nfs/dbraw/zinc/15/97/69/330159769.db2.gz	AJXPWHCGXLIJPE-JTQLQIEISA-N	-1	0	280.324	0.487	20	30		CCEDRM
C=CCCCNC(=O)C(=O)NCCC(C)(C)C(=O)[O-]	ZINC000424505884	330360671	/nfs/dbraw/zinc/36/06/71/330360671.db2.gz	SFGMKHZBVKHGPK-UHFFFAOYSA-N	-1	0	270.329	0.686	20	30		CCEDRM
C=C[C@@H]1OCC[C@H]1CNC(=O)[C@@H](C)O[C@H](C)C(=O)[O-]	ZINC000424526332	330365575	/nfs/dbraw/zinc/36/55/75/330365575.db2.gz	BQXVVPAITSVPBQ-ZNSHCXBVSA-N	-1	0	271.313	0.572	20	30		CCEDRM
COC(=O)CN(CC#N)C(=O)c1ccc([N+](=O)[O-])cc1[O-]	ZINC000436998615	330690682	/nfs/dbraw/zinc/69/06/82/330690682.db2.gz	LBLKXNOINRGAKM-UHFFFAOYSA-N	-1	0	293.235	0.439	20	30		CCEDRM
C=CCOC[C@@H](NS(=O)(=O)CCCCC)C(=O)[O-]	ZINC000521621024	333180105	/nfs/dbraw/zinc/18/01/05/333180105.db2.gz	SYWROYPHQDCSPL-SNVBAGLBSA-N	-1	0	279.358	0.752	20	30		CCEDRM
C#C[C@H]1COCCN1C(=O)NC[C@H](CC(C)C)C(=O)[O-]	ZINC000491526422	332230867	/nfs/dbraw/zinc/23/08/67/332230867.db2.gz	ZENMCMRCBULXHO-RYUDHWBXSA-N	-1	0	282.340	0.777	20	30		CCEDRM
C#CCN(C(=O)C(=O)NCCCC(=O)[O-])C1CCCCC1	ZINC000491806737	332359779	/nfs/dbraw/zinc/35/97/79/332359779.db2.gz	AURYVWYJISBJIB-UHFFFAOYSA-N	-1	0	294.351	0.762	20	30		CCEDRM
CCn1nccc1/C=C\C(=O)[N-]S(=O)(=O)CCCC#N	ZINC000492363582	332394055	/nfs/dbraw/zinc/39/40/55/332394055.db2.gz	HALHXQHFJMEVAI-WAYWQWQTSA-N	-1	0	296.352	0.666	20	30		CCEDRM
CC#CCS(=O)(=O)[N-]C(=O)/C=C\c1ccc[nH]1	ZINC000492770766	332412958	/nfs/dbraw/zinc/41/29/58/332412958.db2.gz	GSAGZIPTBKMSGR-SREVYHEPSA-N	-1	0	252.295	0.497	20	30		CCEDRM
C=C[C@@H](C)O[N-]C(=O)CNC(=O)OCC(F)(F)F	ZINC000496169067	332541118	/nfs/dbraw/zinc/54/11/18/332541118.db2.gz	JKLQYTHWTMYVBA-ZCFIWIBFSA-N	-1	0	270.207	0.897	20	30		CCEDRM
C#CC[N-]S(=O)(=O)c1c(F)cccc1[N+](=O)[O-]	ZINC000310473431	333058688	/nfs/dbraw/zinc/05/86/88/333058688.db2.gz	ZZAPDJMPQQUZNB-UHFFFAOYSA-N	-1	0	258.230	0.645	20	30		CCEDRM
C#CCN(CC#C)S(=O)(=O)c1cc(F)cc(C(=O)[O-])c1	ZINC000185039275	333134768	/nfs/dbraw/zinc/13/47/68/333134768.db2.gz	HTMBPMUFPMFFSE-UHFFFAOYSA-N	-1	0	295.291	0.781	20	30		CCEDRM
N#C[C@@H]1COCCN1Cc1c([O-])nnn1-c1ccccc1	ZINC000172947539	335125266	/nfs/dbraw/zinc/12/52/66/335125266.db2.gz	HYGNGHBYNRHYKM-GFCCVEGCSA-N	-1	0	285.307	0.697	20	30		CCEDRM
C=C(C)CN(CC)S(=O)(=O)c1c(C(=O)[O-])cnn1C	ZINC000530147808	333525589	/nfs/dbraw/zinc/52/55/89/333525589.db2.gz	MMJCBXXLIQYZMV-UHFFFAOYSA-N	-1	0	287.341	0.705	20	30		CCEDRM
CN(CCC#N)C(=O)N=c1ncn(C(C)(C)C)[n-]1	ZINC000542435264	333824546	/nfs/dbraw/zinc/82/45/46/333824546.db2.gz	QFANGUIQGZXJLC-UHFFFAOYSA-N	-1	0	250.306	0.832	20	30		CCEDRM
CC(C)CN(CC(=O)[O-])S(=O)(=O)CC1(C#N)CC1	ZINC000547905278	334129220	/nfs/dbraw/zinc/12/92/20/334129220.db2.gz	KGCZADBDFWWOQH-UHFFFAOYSA-N	-1	0	274.342	0.663	20	30		CCEDRM
CN(CCC#N)S(=O)(=O)N[C@@H](CC(=O)[O-])C(C)(C)C	ZINC000548265708	334147837	/nfs/dbraw/zinc/14/78/37/334147837.db2.gz	IDOQOPFEBUZOST-VIFPVBQESA-N	-1	0	291.373	0.556	20	30		CCEDRM
CN(CCC#N)S(=O)(=O)N[C@H]1CCC[C@]1(C)C(=O)[O-]	ZINC000548545859	334162399	/nfs/dbraw/zinc/16/23/99/334162399.db2.gz	WFBGEIGKDPLUIA-ONGXEEELSA-N	-1	0	289.357	0.310	20	30		CCEDRM
C[C@@]1(C(=O)[O-])CCC[C@@H]1NS(=O)(=O)CCCC#N	ZINC000548556831	334162420	/nfs/dbraw/zinc/16/24/20/334162420.db2.gz	QEZKNRUXGZAJJC-GXSJLCMTSA-N	-1	0	274.342	0.853	20	30		CCEDRM
N#C[C@H]1N(C(=O)c2n[nH]c(=O)[n-]2)CCC[C@]12CCCCO2	ZINC000565427170	334562857	/nfs/dbraw/zinc/56/28/57/334562857.db2.gz	ILOLRLDOJMRRCC-NOZJJQNGSA-N	-1	0	291.311	0.578	20	30		CCEDRM
C=C[C@H](CCC(=O)[O-])NS(=O)(=O)N1CC[C@@H](C)C1	ZINC000567218147	334693992	/nfs/dbraw/zinc/69/39/92/334693992.db2.gz	XCVXIPIUUJIACU-NXEZZACHSA-N	-1	0	276.358	0.582	20	30		CCEDRM
C=CCOC[C@@H](NC(=O)NC[C@H]1CCCCO1)C(=O)[O-]	ZINC000567372266	334710064	/nfs/dbraw/zinc/71/00/64/334710064.db2.gz	LRCLQZRLPSQHQE-GHMZBOCLSA-N	-1	0	286.328	0.511	20	30		CCEDRM
C=C(C)CS(=O)(=O)N1CC(C)(C)OC[C@@H]1C(=O)[O-]	ZINC000576470120	335208320	/nfs/dbraw/zinc/20/83/20/335208320.db2.gz	USMLJOVPPHUAPO-SECBINFHSA-N	-1	0	277.342	0.456	20	30		CCEDRM
C=C[C@@H](CCC(=O)[O-])NS(=O)(=O)C1(COC)CC1	ZINC000576759266	335244607	/nfs/dbraw/zinc/24/46/07/335244607.db2.gz	WEZQHKWTTBMPMX-VIFPVBQESA-N	-1	0	277.342	0.504	20	30		CCEDRM
C#CCCNC(=O)NCC[C@@H]1CCN(C(=O)[O-])C1	ZINC000738457530	582052389	/nfs/dbraw/zinc/05/23/89/582052389.db2.gz	PYHWSSAPKAPHKR-SNVBAGLBSA-N	-1	0	253.302	0.699	20	30		CCEDRM
CC#CCN(C)CC1=Nc2ccccc2S(=O)(=O)[N-]1	ZINC000339757507	517347237	/nfs/dbraw/zinc/34/72/37/517347237.db2.gz	ULNOGSRKDGHWTG-UHFFFAOYSA-N	-1	0	277.349	0.964	20	30		CCEDRM
N#Cc1cccc(S(=O)(=O)N[C@H](C(=O)[O-])C2CC2)c1	ZINC000054504709	526732744	/nfs/dbraw/zinc/73/27/44/526732744.db2.gz	TVYGFNUNBMHBBA-NSHDSACASA-N	-1	0	280.305	0.700	20	30		CCEDRM
C=CCOc1ccc(C(=O)NCc2n[n-]c(=N)o2)cc1	ZINC000352119965	526849374	/nfs/dbraw/zinc/84/93/74/526849374.db2.gz	HHJREQHQYYACCZ-UHFFFAOYSA-N	-1	0	274.280	0.977	20	30		CCEDRM
C=C[C@@H](CO)NC(=O)N=c1ccc(C(F)(F)F)n[n-]1	ZINC000350456552	527430318	/nfs/dbraw/zinc/43/03/18/527430318.db2.gz	HCFFXVKXSXSDRO-LURJTMIESA-N	-1	0	276.218	0.586	20	30		CCEDRM
C=C[C@H](CO)NC(=O)N=c1ccc(OC(C)C)n[n-]1	ZINC000350515148	527583501	/nfs/dbraw/zinc/58/35/01/527583501.db2.gz	VAHSNKDBJZGLED-SECBINFHSA-N	-1	0	266.301	0.354	20	30		CCEDRM
C=CCCOCC(=O)N[C@@H](CCC)c1nnn[n-]1	ZINC000675145440	545322544	/nfs/dbraw/zinc/32/25/44/545322544.db2.gz	SETWUSMPHRZPGJ-VIFPVBQESA-N	-1	0	253.306	0.750	20	30		CCEDRM
C=CC[C@@H](NS(=O)(=O)[C@@H](C)CCOC)C(=O)[O-]	ZINC000681559066	545456267	/nfs/dbraw/zinc/45/62/67/545456267.db2.gz	ZKIKQCGDODAZPO-DTWKUNHWSA-N	-1	0	265.331	0.360	20	30		CCEDRM
C#CCCS(=O)(=O)[N-]C(=O)c1cccc(C(=O)OC)c1	ZINC000791109386	581207720	/nfs/dbraw/zinc/20/77/20/581207720.db2.gz	QCEBOBDWGGMGAV-UHFFFAOYSA-N	-1	0	295.316	0.556	20	30		CCEDRM
Cc1cc(C(=O)Nc2nc(C#N)c(C#N)[n-]2)cc(=O)[nH]1	ZINC000777522594	581118484	/nfs/dbraw/zinc/11/84/84/581118484.db2.gz	ULNQHAJJIPDQID-UHFFFAOYSA-N	-1	0	268.236	0.814	20	30		CCEDRM
CCN(C[C@H](C)C#N)C(=O)[C@H]1C[C@@H](O)CN1C(=O)[O-]	ZINC000739405647	581132198	/nfs/dbraw/zinc/13/21/98/581132198.db2.gz	ZLVAXABKSGZPOB-OPRDCNLKSA-N	-1	0	269.301	0.108	20	30		CCEDRM
CN(CC(=O)[O-])Cc1nc2ccccc2c(=O)n1CC#N	ZINC000737988375	581133485	/nfs/dbraw/zinc/13/34/85/581133485.db2.gz	YHUMMSNUKUZADJ-UHFFFAOYSA-N	-1	0	286.291	0.436	20	30		CCEDRM
CCN(CCNS(=O)(=O)CCCC#N)C(=O)[O-]	ZINC000739434484	581136461	/nfs/dbraw/zinc/13/64/61/581136461.db2.gz	QJUQFRFZNZZMLI-UHFFFAOYSA-N	-1	0	263.319	0.209	20	30		CCEDRM
C=CC[C@@H](NS(=O)(=O)c1cnn(CC2CC2)c1)C(=O)[O-]	ZINC000777908222	581138312	/nfs/dbraw/zinc/13/83/12/581138312.db2.gz	HGIQSQUWIGQFCP-LLVKDONJSA-N	-1	0	299.352	0.601	20	30		CCEDRM
N#CCN(CC(=O)[O-])S(=O)(=O)c1ccc2c(c1)COC2	ZINC000739085586	581174702	/nfs/dbraw/zinc/17/47/02/581174702.db2.gz	IMXCXWLGQYXRKR-UHFFFAOYSA-N	-1	0	296.304	0.316	20	30		CCEDRM
C[C@H](C(=O)[N-]S(=O)(=O)CC(C)(C)C#N)c1cnn(C)c1	ZINC000776139063	581180643	/nfs/dbraw/zinc/18/06/43/581180643.db2.gz	TYKCSEBMRZTVTG-VIFPVBQESA-N	-1	0	298.368	0.519	20	30		CCEDRM
CC(=NNC1=NC[C@@H](C)N1)c1cc([N+](=O)[O-])ccc1[O-]	ZINC000779794193	581205592	/nfs/dbraw/zinc/20/55/92/581205592.db2.gz	DLWCPLFDWHLFDC-SSDOTTSWSA-N	-1	0	277.284	0.962	20	30		CCEDRM
C[C@@H]1CN=C(NN=Cc2ccc([O-])c([N+](=O)[O-])c2)N1	ZINC000779793193	581205683	/nfs/dbraw/zinc/20/56/83/581205683.db2.gz	XSSOWLRDJPSISP-SSDOTTSWSA-N	-1	0	263.257	0.572	20	30		CCEDRM
Cc1cc(C(=O)/C=C\c2cn(CC(=O)[O-])nn2)no1	ZINC000791433946	581221835	/nfs/dbraw/zinc/22/18/35/581221835.db2.gz	VESOXEYBPZNWRY-IHWYPQMZSA-N	-1	0	262.225	0.555	20	30		CCEDRM
C=CCS(=O)(=O)[N-]C(=O)C1CCC(OC)CC1	ZINC000781527059	581271280	/nfs/dbraw/zinc/27/12/80/581271280.db2.gz	QKINFWVNKJUROH-UHFFFAOYSA-N	-1	0	261.343	0.824	20	30		CCEDRM
C=CCS(=O)(=O)[N-]C(=O)c1cnn(CCC)c1	ZINC000781822514	581277965	/nfs/dbraw/zinc/27/79/65/581277965.db2.gz	GCLYYFUBUJJUDQ-UHFFFAOYSA-N	-1	0	257.315	0.539	20	30		CCEDRM
CC[C@@H](NN=C1C(=O)Nc2ccc([N+](=O)[O-])cc21)C(=O)[O-]	ZINC000793059106	581282572	/nfs/dbraw/zinc/28/25/72/581282572.db2.gz	YNLSUKBBGVQLFD-MRVPVSSYSA-N	-1	0	292.251	0.704	20	30		CCEDRM
CC[C@H](NN=Cc1cc(C(=O)OC)c(C)n1C)C(=O)[O-]	ZINC000793057154	581282779	/nfs/dbraw/zinc/28/27/79/581282779.db2.gz	LNEAFCWQQUHALG-NSHDSACASA-N	-1	0	281.312	0.907	20	30		CCEDRM
CC[C@H](NN=Cc1cn(Cc2cccnc2)nn1)C(=O)[O-]	ZINC000793056419	581282836	/nfs/dbraw/zinc/28/28/36/581282836.db2.gz	RXTJAXNLPURFEP-LBPRGKRZSA-N	-1	0	288.311	0.508	20	30		CCEDRM
C[C@@H]1COCC[C@H]1C(=O)[N-]S(=O)(=O)CC1(C#N)CC1	ZINC000793195580	581287787	/nfs/dbraw/zinc/28/77/87/581287787.db2.gz	MTPVQYYMXOUDKZ-NXEZZACHSA-N	-1	0	286.353	0.409	20	30		CCEDRM
N#CC1(CS(=O)(=O)[N-]C(=O)CCc2ccncc2)CC1	ZINC000793195530	581287917	/nfs/dbraw/zinc/28/79/17/581287917.db2.gz	DNBYLINBBSVOKE-UHFFFAOYSA-N	-1	0	293.348	0.764	20	30		CCEDRM
CSC1(C(=O)[N-]S(=O)(=O)CC2(C#N)CC2)CC1	ZINC000793196274	581288061	/nfs/dbraw/zinc/28/80/61/581288061.db2.gz	SCYICWAVLAWFPF-UHFFFAOYSA-N	-1	0	274.367	0.632	20	30		CCEDRM
CC(C)OCCC(=O)[N-]S(=O)(=O)CC1(C#N)CC1	ZINC000793205763	581288439	/nfs/dbraw/zinc/28/84/39/581288439.db2.gz	ZGFXMHCIEVQXRT-UHFFFAOYSA-N	-1	0	274.342	0.551	20	30		CCEDRM
C=CCS(=O)(=O)[N-]C(=O)c1cn(CCOC)nc1C	ZINC000782628682	581316110	/nfs/dbraw/zinc/31/61/10/581316110.db2.gz	YLAUGUKHZGJNTQ-UHFFFAOYSA-N	-1	0	287.341	0.084	20	30		CCEDRM
N#Cc1ccc(NCC(=O)N2CCO[C@@H](C(=O)[O-])C2)cc1	ZINC000738430955	581318910	/nfs/dbraw/zinc/31/89/10/581318910.db2.gz	NBKSFZABGUXDEF-GFCCVEGCSA-N	-1	0	289.291	0.282	20	30		CCEDRM
N#CCCn1ccc(NC(=O)[C@@H]2CCCN2C(=O)[O-])n1	ZINC000740307969	581322842	/nfs/dbraw/zinc/32/28/42/581322842.db2.gz	DPOPFPVAVVMOQX-VIFPVBQESA-N	-1	0	277.284	0.878	20	30		CCEDRM
N#C[C@H]1CN(C(=O)NC[C@@H]2CCCN2C(=O)[O-])CCO1	ZINC000740306717	581323014	/nfs/dbraw/zinc/32/30/14/581323014.db2.gz	KGHTZPSUPYDAPP-UWVGGRQHSA-N	-1	0	282.300	0.063	20	30		CCEDRM
N#CCCNC(=O)COC(=O)[C@@H]1CCCCN1C(=O)[O-]	ZINC000740308741	581323229	/nfs/dbraw/zinc/32/32/29/581323229.db2.gz	NMXVYVOOOBTYSD-VIFPVBQESA-N	-1	0	283.284	0.092	20	30		CCEDRM
C#CCOC(=O)c1nnn(C2CCN(C(=O)[O-])CC2)c1C	ZINC000738463208	581335239	/nfs/dbraw/zinc/33/52/39/581335239.db2.gz	OLDKPFGUDNIACO-UHFFFAOYSA-N	-1	0	292.295	0.691	20	30		CCEDRM
C#Cc1ccc(C(=O)N2CCN(C(=O)[O-])[C@H](C)C2)nc1	ZINC000738466819	581341044	/nfs/dbraw/zinc/34/10/44/581341044.db2.gz	ILFWTSMCFBGSSG-SNVBAGLBSA-N	-1	0	273.292	0.887	20	30		CCEDRM
CC[C@H](OC)C(=O)OCc1cc(=O)n2[n-]cc(C#N)c2n1	ZINC000783265666	581342539	/nfs/dbraw/zinc/34/25/39/581342539.db2.gz	PLBHAMLVIOMVTC-JTQLQIEISA-N	-1	0	290.279	0.775	20	30		CCEDRM
Cc1ccn2ncc(C([O-])=C(C#N)C(=O)N3CCCC3)c2n1	ZINC000727952664	581342555	/nfs/dbraw/zinc/34/25/55/581342555.db2.gz	OZVNPSTZABMLSS-LLVKDONJSA-N	-1	0	297.318	0.983	20	30		CCEDRM
C#CCSCCNC(=O)NCCCNC(=O)[O-]	ZINC000738471066	581344418	/nfs/dbraw/zinc/34/44/18/581344418.db2.gz	VTPFTNHEFNYNHJ-UHFFFAOYSA-N	-1	0	259.331	0.310	20	30		CCEDRM
C#CCSCCNC(=O)NCCCN(C)C(=O)[O-]	ZINC000738470741	581344423	/nfs/dbraw/zinc/34/44/23/581344423.db2.gz	RYBLVXZSBVLDCX-UHFFFAOYSA-N	-1	0	273.358	0.652	20	30		CCEDRM
Cc1cnn(C)c1/C=C\C(=O)c1cnc([O-])n(C)c1=O	ZINC000794700837	581384276	/nfs/dbraw/zinc/38/42/76/581384276.db2.gz	JQWOLUGILZUARB-PLNGDYQASA-N	-1	0	274.280	0.424	20	30		CCEDRM
C[C@@H]1C[C@@H](C(=O)[N-]S(=O)(=O)CC(C)(C)C#N)CO1	ZINC000784542717	581387748	/nfs/dbraw/zinc/38/77/48/581387748.db2.gz	ZXJAPBAKAHOGPG-RKDXNWHRSA-N	-1	0	274.342	0.407	20	30		CCEDRM
CC(C)(C#N)CC(=O)[N-]S(=O)(=O)CCCC#N	ZINC000786478937	581442515	/nfs/dbraw/zinc/44/25/15/581442515.db2.gz	LNATXNDQJHRHIV-UHFFFAOYSA-N	-1	0	257.315	0.676	20	30		CCEDRM
COCCCCS(=O)(=O)[N-]C(=O)CC(C)(C)C#N	ZINC000786495488	581442882	/nfs/dbraw/zinc/44/28/82/581442882.db2.gz	CJWDQDQFNOBKHO-UHFFFAOYSA-N	-1	0	276.358	0.799	20	30		CCEDRM
CC[C@@](C)(OC)C(=O)[N-]S(=O)(=O)CC(C)(C)C#N	ZINC000796812317	581451312	/nfs/dbraw/zinc/45/13/12/581451312.db2.gz	MMNMTJAWPJQAAR-LLVKDONJSA-N	-1	0	276.358	0.797	20	30		CCEDRM
Cn1ccnc1C([O-])=C(C#N)C(=O)COC(F)F	ZINC000797161618	581460971	/nfs/dbraw/zinc/46/09/71/581460971.db2.gz	GPHWSKDPSPALMG-LURJTMIESA-N	-1	0	257.196	0.551	20	30		CCEDRM
C=CCC1(S(=O)(=O)[N-]C(=O)CCc2ccn(C)n2)CC1	ZINC000797273456	581463316	/nfs/dbraw/zinc/46/33/16/581463316.db2.gz	XZLBIYJZERMDLF-UHFFFAOYSA-N	-1	0	297.380	0.907	20	30		CCEDRM
C[C@H]1CN(C(=O)CSCC#N)CCN1C(=O)[O-]	ZINC000739135449	581509730	/nfs/dbraw/zinc/50/97/30/581509730.db2.gz	MCMUWYXDEWPKSY-QMMMGPOBSA-N	-1	0	257.315	0.454	20	30		CCEDRM
N#Cc1ccsc1C(=O)Nc1n[nH]c(CC(=O)[O-])n1	ZINC000739142485	581511181	/nfs/dbraw/zinc/51/11/81/581511181.db2.gz	NAQCVRNSFZUUGT-UHFFFAOYSA-N	-1	0	277.265	0.617	20	30		CCEDRM
CN1C(=O)CC[C@H]1C(=O)Nc1cc(C#N)ccc1[O-]	ZINC000752681572	581512739	/nfs/dbraw/zinc/51/27/39/581512739.db2.gz	YYWUHOFFNBWEQQ-JTQLQIEISA-N	-1	0	259.265	0.823	20	30		CCEDRM
CC[C@](C)(C#N)NC(=O)CN(CCOC)C(=O)[O-]	ZINC000739212360	581524019	/nfs/dbraw/zinc/52/40/19/581524019.db2.gz	BOBJPJJQFYFQQZ-LLVKDONJSA-N	-1	0	257.290	0.421	20	30		CCEDRM
Cn1ncc2c1nc(N=NCC[C@H]1CCOC1)[n-]c2=O	ZINC000765579699	581526022	/nfs/dbraw/zinc/52/60/22/581526022.db2.gz	ZIALTXKMYNXZPV-QMMMGPOBSA-N	-1	0	276.300	0.893	20	30		CCEDRM
CCN(CC#N)C(=O)c1csc(CNC(=O)[O-])n1	ZINC000739384447	581543810	/nfs/dbraw/zinc/54/38/10/581543810.db2.gz	GRPYCUWVJQXUIA-UHFFFAOYSA-N	-1	0	268.298	0.896	20	30		CCEDRM
CCN(CC(=O)N[C@]1(C#N)CCSC1)C(=O)[O-]	ZINC000739389426	581545106	/nfs/dbraw/zinc/54/51/06/581545106.db2.gz	NHWLXLIEAPCMJV-JTQLQIEISA-N	-1	0	257.315	0.502	20	30		CCEDRM
COc1cc(C)cnc1C(=O)[N-]S(=O)(=O)CCCC#N	ZINC000754001594	581570291	/nfs/dbraw/zinc/57/02/91/581570291.db2.gz	OMNFOLDXJXDSIL-UHFFFAOYSA-N	-1	0	297.336	0.762	20	30		CCEDRM
CNC(=O)C(C#N)=C([O-])c1cccc(-n2cncn2)c1	ZINC000734706767	581582365	/nfs/dbraw/zinc/58/23/65/581582365.db2.gz	VMZCVGXBMWIWOS-LLVKDONJSA-N	-1	0	269.264	0.336	20	30		CCEDRM
CCCn1cc(C=NNc2nnc(C)c(=O)[n-]2)cn1	ZINC000734978064	581599513	/nfs/dbraw/zinc/59/95/13/581599513.db2.gz	RLHBHRICNHYEJO-UHFFFAOYSA-N	-1	0	261.289	0.938	20	30		CCEDRM
COCC(C)(C)C=Nn1c(=O)c(C)n[n-]c1=S	ZINC000754910913	581616066	/nfs/dbraw/zinc/61/60/66/581616066.db2.gz	UYNVYNOVMKTZTD-UHFFFAOYSA-N	-1	0	256.331	0.742	20	30		CCEDRM
N#Cc1ccc(CS(=O)(=O)[N-]C(=O)c2cocn2)cc1	ZINC000729886086	581618469	/nfs/dbraw/zinc/61/84/69/581618469.db2.gz	ZEOZUFUDANPPRN-UHFFFAOYSA-N	-1	0	291.288	0.806	20	30		CCEDRM
C=CCCOCC(=O)[N-]S(=O)(=O)N(C)C(C)C	ZINC000729911660	581619816	/nfs/dbraw/zinc/61/98/16/581619816.db2.gz	AGRVSLZXXXSCGK-UHFFFAOYSA-N	-1	0	264.347	0.280	20	30		CCEDRM
COCCN(CC(=O)N[C@@](C)(C#N)C(C)C)C(=O)[O-]	ZINC000739822552	581624618	/nfs/dbraw/zinc/62/46/18/581624618.db2.gz	LYAHUNCLYYAWDZ-LBPRGKRZSA-N	-1	0	271.317	0.667	20	30		CCEDRM
N#CC(C(=O)NC1CC1)=C([O-])c1cnn2ccccc12	ZINC000735206445	581631807	/nfs/dbraw/zinc/63/18/07/581631807.db2.gz	KYMFLYXQIFTYRP-JTQLQIEISA-N	-1	0	268.276	0.935	20	30		CCEDRM
COCCNC(=O)C(C#N)=C([O-])c1cc(C)c(C)o1	ZINC000768168976	581645894	/nfs/dbraw/zinc/64/58/94/581645894.db2.gz	YTXXPPWNQCQHHX-SNVBAGLBSA-N	-1	0	264.281	0.982	20	30		CCEDRM
Cc1c(C(=O)OCC#N)nnn1C1CCN(C(=O)[O-])CC1	ZINC000740043337	581648080	/nfs/dbraw/zinc/64/80/80/581648080.db2.gz	GXOHESLRIBCOHH-UHFFFAOYSA-N	-1	0	293.283	0.582	20	30		CCEDRM
CNC(=O)C(C#N)=C([O-])c1ccc2nnn(C)c2c1	ZINC000755611129	581648243	/nfs/dbraw/zinc/64/82/43/581648243.db2.gz	IVZFUTZXPQKYID-MRVPVSSYSA-N	-1	0	257.253	0.037	20	30		CCEDRM
CC#CCS(=O)(=O)[N-]C(=O)[C@H](OC)c1ccccc1	ZINC000788071935	581650151	/nfs/dbraw/zinc/65/01/51/581650151.db2.gz	QOBNPYBLOMASGA-GFCCVEGCSA-N	-1	0	281.333	0.843	20	30		CCEDRM
C#CCOCCC(=O)N[C@H](CCC)c1nnn[n-]1	ZINC000755958917	581651975	/nfs/dbraw/zinc/65/19/75/581651975.db2.gz	XDONSFCZWLFIDR-SECBINFHSA-N	-1	0	251.290	0.197	20	30		CCEDRM
CC#CCS(=O)(=O)[N-]C(=O)c1cc(C(C)(C)C)nn1C	ZINC000788073030	581657015	/nfs/dbraw/zinc/65/70/15/581657015.db2.gz	ZNUIQRAXNMHXNJ-UHFFFAOYSA-N	-1	0	297.380	0.801	20	30		CCEDRM
Cn1c(=O)c2ccccc2nc1N=NC1CN(C(=O)[O-])C1	ZINC000740280398	581657626	/nfs/dbraw/zinc/65/76/26/581657626.db2.gz	AVSSPIKVCPVKBF-UHFFFAOYSA-N	-1	0	287.279	0.695	20	30		CCEDRM
CC#CCS(=O)(=O)[N-]C(=O)[C@@H]1COc2ccccc2C1	ZINC000788072848	581658420	/nfs/dbraw/zinc/65/84/20/581658420.db2.gz	XJGDGMIDIPHNIP-LBPRGKRZSA-N	-1	0	293.344	0.707	20	30		CCEDRM
N#CCN1CCC(NC(=O)[C@H]2CCC[C@@H]2NC(=O)[O-])CC1	ZINC000740305530	581662537	/nfs/dbraw/zinc/66/25/37/581662537.db2.gz	NMRMFFNCORSQBA-RYUDHWBXSA-N	-1	0	294.355	0.527	20	30		CCEDRM
N#C[C@@H]1CN(C(=O)NCC2CCN(C(=O)[O-])CC2)CCO1	ZINC000740306627	581662885	/nfs/dbraw/zinc/66/28/85/581662885.db2.gz	HKXBUTIAGKRGKG-LLVKDONJSA-N	-1	0	296.327	0.310	20	30		CCEDRM
N#CCN(CC#N)C(=O)CN(C[C@@H]1CCCO1)C(=O)[O-]	ZINC000740305744	581662898	/nfs/dbraw/zinc/66/28/98/581662898.db2.gz	URCKHROTSMYQKG-JTQLQIEISA-N	-1	0	280.284	0.021	20	30		CCEDRM
N#CCN1CCC(NC(=O)[C@H]2CCN(C(=O)[O-])C2)CC1	ZINC000740305991	581662990	/nfs/dbraw/zinc/66/29/90/581662990.db2.gz	ZLUVDCJSQKMLST-JTQLQIEISA-N	-1	0	280.328	0.090	20	30		CCEDRM
N#C[C@H]1CN(C(=O)NCCCNC(=O)[O-])CCN1C1CC1	ZINC000740308557	581663415	/nfs/dbraw/zinc/66/34/15/581663415.db2.gz	ZKQXYYSXLNHFMW-NSHDSACASA-N	-1	0	295.343	0.026	20	30		CCEDRM
N#CCCCS(=O)(=O)N1CCCC[C@@H]1CNC(=O)[O-]	ZINC000740308304	581663428	/nfs/dbraw/zinc/66/34/28/581663428.db2.gz	XILIIHBKZCOAJP-SNVBAGLBSA-N	-1	0	289.357	0.742	20	30		CCEDRM
N#Cc1cc(NC(=O)COCCNC(=O)[O-])ccc1F	ZINC000740311598	581664038	/nfs/dbraw/zinc/66/40/38/581664038.db2.gz	SDVPHWFDMJLPCJ-UHFFFAOYSA-N	-1	0	281.243	0.920	20	30		CCEDRM
N#Cc1ccc(C(=O)NC[C@H]2CCCN2C(=O)[O-])cn1	ZINC000740312330	581664712	/nfs/dbraw/zinc/66/47/12/581664712.db2.gz	DBSZVDZGBCWWNZ-LLVKDONJSA-N	-1	0	274.280	0.825	20	30		CCEDRM
N#Cc1cnccc1NC(=O)CSCC(=O)[O-]	ZINC000740322195	581665092	/nfs/dbraw/zinc/66/50/92/581665092.db2.gz	SFPMBXVDKQDFBL-UHFFFAOYSA-N	-1	0	251.267	0.131	20	30		CCEDRM
N#Cc1cccc(COC(=O)[C@@H]2C[C@H](O)CN2C(=O)[O-])c1	ZINC000740320682	581665219	/nfs/dbraw/zinc/66/52/19/581665219.db2.gz	WRRCUXJNAZTLBN-RYUDHWBXSA-N	-1	0	290.275	0.715	20	30		CCEDRM
COc1cc(C(=O)[O-])ccc1N=NC1CCS(=O)(=O)C1	ZINC000756899363	581684006	/nfs/dbraw/zinc/68/40/06/581684006.db2.gz	YBRYIZZTOKGEQN-UHFFFAOYSA-N	-1	0	298.320	0.980	20	30		CCEDRM
C#CCN1CCC[C@H]1C(=O)Nc1nc(CC(=O)[O-])cs1	ZINC000736080780	581688170	/nfs/dbraw/zinc/68/81/70/581688170.db2.gz	XQRMFQQPMCKHQC-JTQLQIEISA-N	-1	0	293.348	0.806	20	30		CCEDRM
C#CCNC(=O)COc1ccc(C(=O)[O-])cc1C=O	ZINC000736076017	581694523	/nfs/dbraw/zinc/69/45/23/581694523.db2.gz	JKUXEIIRVDRVSE-UHFFFAOYSA-N	-1	0	261.233	0.326	20	30		CCEDRM
C=CCOCC(=O)N1CCSC[C@@H]1CC(=O)[O-]	ZINC000736109584	581696331	/nfs/dbraw/zinc/69/63/31/581696331.db2.gz	QLDCXMWPCNUJSP-VIFPVBQESA-N	-1	0	259.327	0.608	20	30		CCEDRM
C=CCN(CC=C)C(=O)COC(=O)[C@@H]1C[C@H]1C(=O)[O-]	ZINC000736107934	581697604	/nfs/dbraw/zinc/69/76/04/581697604.db2.gz	BCWFMYMRKPNCIJ-NXEZZACHSA-N	-1	0	267.281	0.451	20	30		CCEDRM
C#Cc1ccc(C(=O)NC2CCN(C(=O)[O-])CC2)nc1	ZINC000736092816	581700945	/nfs/dbraw/zinc/70/09/45/581700945.db2.gz	LUPFCSITHGXPOF-UHFFFAOYSA-N	-1	0	273.292	0.935	20	30		CCEDRM
C=CCOCC(=O)NC[C@@H](Cc1ccc(O)cc1)C(=O)[O-]	ZINC000736109701	581702902	/nfs/dbraw/zinc/70/29/02/581702902.db2.gz	XNLSNHYULZDTIT-GFCCVEGCSA-N	-1	0	293.319	0.954	20	30		CCEDRM
N#Cc1ccc([C@H](O)C(=O)[N-]OCC(F)F)cc1	ZINC000760146951	581704860	/nfs/dbraw/zinc/70/48/60/581704860.db2.gz	JGPYHQNSDSNLDT-JTQLQIEISA-N	-1	0	256.208	0.905	20	30		CCEDRM
CC(=O)N1CCN([C@H](C(=O)[O-])c2ccc(C#N)cc2)CC1	ZINC000736135051	581705414	/nfs/dbraw/zinc/70/54/14/581705414.db2.gz	VWBYQQYBZNJTGP-AWEZNQCLSA-N	-1	0	287.319	0.848	20	30		CCEDRM
CC(=O)c1[nH]c(CC(=O)N(C)CC#N)c(C(=O)[O-])c1C	ZINC000736172588	581711179	/nfs/dbraw/zinc/71/11/79/581711179.db2.gz	JODFTCXNQSJQIH-UHFFFAOYSA-N	-1	0	277.280	0.748	20	30		CCEDRM
C[C@@H](C#N)CN(C)C(=O)N[C@H]1CCCN(C(=O)[O-])C1	ZINC000736200336	581714387	/nfs/dbraw/zinc/71/43/87/581714387.db2.gz	BSCDPOYWTFCTBJ-UWVGGRQHSA-N	-1	0	268.317	0.930	20	30		CCEDRM
C[C@@H](C#N)C(=O)NC[C@@H](Cc1ccc(O)cc1)C(=O)[O-]	ZINC000736203550	581714872	/nfs/dbraw/zinc/71/48/72/581714872.db2.gz	TZJUXJZGCJLJCC-GXSJLCMTSA-N	-1	0	276.292	0.911	20	30		CCEDRM
Cc1csc(C(C#N)=C([O-])COC(=O)[C@@H](O)C2CC2)n1	ZINC000730879384	581743095	/nfs/dbraw/zinc/74/30/95/581743095.db2.gz	QZSNMZSYIBISFC-ONGXEEELSA-N	-1	0	294.332	0.942	20	30		CCEDRM
C=CCOCCCC(=O)[N-]S(=O)(=O)c1cnccn1	ZINC000758580624	581756814	/nfs/dbraw/zinc/75/68/14/581756814.db2.gz	WZFUJNWIBDFQLH-UHFFFAOYSA-N	-1	0	285.325	0.264	20	30		CCEDRM
CCc1nn(C)cc1C([O-])=C(C#N)C(=O)NCCOC	ZINC000771259118	581759764	/nfs/dbraw/zinc/75/97/64/581759764.db2.gz	RDCJRTIEQHRBAI-VIFPVBQESA-N	-1	0	278.312	0.068	20	30		CCEDRM
CC(=NNCC(N)=O)c1ccc([O-])c([N+](=O)[O-])c1	ZINC000758898445	581774858	/nfs/dbraw/zinc/77/48/58/581774858.db2.gz	LHDROLHRMHXGON-UHFFFAOYSA-N	-1	0	252.230	0.099	20	30		CCEDRM
O=C([O-])Cn1cc(/C=C2/Oc3ccccc3C2=O)nn1	ZINC000759085640	581782720	/nfs/dbraw/zinc/78/27/20/581782720.db2.gz	WEJBNQDSWQIUCN-VZUCSPMQSA-N	-1	0	271.232	0.979	20	30		CCEDRM
Cc1c(CCC(=O)C(C#N)=C([O-])c2nccn2C)cnn1C	ZINC000759456815	581799700	/nfs/dbraw/zinc/79/97/00/581799700.db2.gz	MYGWVTIJLFRCIN-GFCCVEGCSA-N	-1	0	299.334	0.986	20	30		CCEDRM
CCCNC(=O)CCC(=O)Nc1nc(C#N)c(C#N)[n-]1	ZINC000732269465	581811886	/nfs/dbraw/zinc/81/18/86/581811886.db2.gz	SFFBHIRBKDETGC-UHFFFAOYSA-N	-1	0	274.284	0.398	20	30		CCEDRM
C[C@H](O)c1cn(CC(=O)Nc2cc(C#N)ccc2[O-])nn1	ZINC000759717593	581817126	/nfs/dbraw/zinc/81/71/26/581817126.db2.gz	JPTPVEYBITWYIA-QMMMGPOBSA-N	-1	0	287.279	0.547	20	30		CCEDRM
CCn1cc(CN=Nc2oc(C)nc2-c2nnn[n-]2)cn1	ZINC000736723763	581825395	/nfs/dbraw/zinc/82/53/95/581825395.db2.gz	ZIVYZQZQRIMAPX-UHFFFAOYSA-N	-1	0	287.287	0.826	20	30		CCEDRM
N#Cc1ccc(CS(=O)(=O)[N-]C(=O)C2=COCC2)cc1	ZINC000744007898	581829652	/nfs/dbraw/zinc/82/96/52/581829652.db2.gz	XFCXDVDHRNBXTI-UHFFFAOYSA-N	-1	0	292.316	0.808	20	30		CCEDRM
C=CCOCC(=O)[N-]S(=O)(=O)CC(F)(F)F	ZINC000744263773	581836872	/nfs/dbraw/zinc/83/68/72/581836872.db2.gz	PZJLROKYRHRFIB-UHFFFAOYSA-N	-1	0	261.221	0.197	20	30		CCEDRM
C=CCS(=O)(=O)[N-]C(=O)c1cnn(C)c1C1CC1	ZINC000772713304	581842386	/nfs/dbraw/zinc/84/23/86/581842386.db2.gz	NVRICOYPRVTIIO-UHFFFAOYSA-N	-1	0	269.326	0.543	20	30		CCEDRM
O=C([O-])COc1ccccc1C=NN1CC(=O)NC1=O	ZINC000744807325	581852818	/nfs/dbraw/zinc/85/28/18/581852818.db2.gz	WYSQXPBUVKYHBC-UHFFFAOYSA-N	-1	0	277.236	0.036	20	30		CCEDRM
CC[C@](NCC(=O)NCC#N)(C(=O)[O-])c1ccccc1	ZINC000736915495	581868012	/nfs/dbraw/zinc/86/80/12/581868012.db2.gz	DTTMNFXHTUVFOE-CQSZACIVSA-N	-1	0	275.308	0.606	20	30		CCEDRM
CC1=CC(=O)C(=C([O-])C=Cc2ccn(C)n2)C(=O)O1	ZINC000773145224	581878693	/nfs/dbraw/zinc/87/86/93/581878693.db2.gz	QBFKIDHLEGKMGM-PCAWENJQSA-N	-1	0	260.249	0.648	20	30		CCEDRM
C=CCS(=O)(=O)[N-]C(=O)c1ccc(N2CCCC2)nn1	ZINC000772713487	581885388	/nfs/dbraw/zinc/88/53/88/581885388.db2.gz	IXYILXQENPRRSP-UHFFFAOYSA-N	-1	0	296.352	0.322	20	30		CCEDRM
CCOc1cc(C(=O)NCC#N)ccc1OCC(=O)[O-]	ZINC000737185483	581921063	/nfs/dbraw/zinc/92/10/63/581921063.db2.gz	BLMGWJKCTKPYOA-UHFFFAOYSA-N	-1	0	278.264	0.802	20	30		CCEDRM
N#Cc1cccc([C@@H]2CN(C(=O)c3n[nH]c(=O)[n-]3)CCO2)c1	ZINC000762304149	581939238	/nfs/dbraw/zinc/93/92/38/581939238.db2.gz	VIVGQGOANSUURG-NSHDSACASA-N	-1	0	299.290	0.596	20	30		CCEDRM
CCn1nccc1C([O-])=C(C#N)C(=O)N1CCCC1	ZINC000773968443	581949788	/nfs/dbraw/zinc/94/97/88/581949788.db2.gz	PYXOPIUVCZMRRV-JTQLQIEISA-N	-1	0	260.297	0.848	20	30		CCEDRM
CCOc1nc(C([O-])=C(C#N)C(=O)NC2CC2)co1	ZINC000773981392	581950858	/nfs/dbraw/zinc/95/08/58/581950858.db2.gz	XQZRWUWRURPGGS-QMMMGPOBSA-N	-1	0	263.253	0.674	20	30		CCEDRM
CN(CC(=O)Nc1ccn(CCC#N)n1)C(=O)[O-]	ZINC000737400193	581953277	/nfs/dbraw/zinc/95/32/77/581953277.db2.gz	XGRMOFASMIKKCG-UHFFFAOYSA-N	-1	0	251.246	0.345	20	30		CCEDRM
C#CCN1CCC[C@H]1C(=O)NCC1(C(=O)[O-])CCC1	ZINC000737492277	581965696	/nfs/dbraw/zinc/96/56/96/581965696.db2.gz	IQMQERVUIARMFR-NSHDSACASA-N	-1	0	264.325	0.455	20	30		CCEDRM
C=CCN(CCCCC(=O)[O-])[C@H]1CCS(=O)(=O)C1	ZINC000737534504	581975146	/nfs/dbraw/zinc/97/51/46/581975146.db2.gz	PBQZIUYOEQMAFT-NSHDSACASA-N	-1	0	275.370	0.916	20	30		CCEDRM
CCc1nc(C(=O)[N-]S(=O)(=O)CC2(C#N)CCC2)co1	ZINC000774501360	581976928	/nfs/dbraw/zinc/97/69/28/581976928.db2.gz	FBJRKVQYVFCYNW-UHFFFAOYSA-N	-1	0	297.336	0.990	20	30		CCEDRM
COC(=O)CN(CC#N)C(=O)c1cccc(NC(=O)[O-])c1	ZINC000737604095	581989008	/nfs/dbraw/zinc/98/90/08/581989008.db2.gz	HSMVTPNZXKDGTC-UHFFFAOYSA-N	-1	0	291.263	0.915	20	30		CCEDRM
O=C(C#Cc1ccc2c(c1)OCO2)OCc1n[nH]c(=O)[n-]1	ZINC000774969399	582006401	/nfs/dbraw/zinc/00/64/01/582006401.db2.gz	QJSPAYXMPMGWAC-UHFFFAOYSA-N	-1	0	287.231	0.334	20	30		CCEDRM
COC(=O)[C@@H](c1ccc(C#N)cc1)N(C)CC(=O)[O-]	ZINC000738031697	582017132	/nfs/dbraw/zinc/01/71/32/582017132.db2.gz	ZBNYDRHFPGAUAD-GFCCVEGCSA-N	-1	0	262.265	0.789	20	30		CCEDRM
N#C[C@H]1CN(C(=O)[C@H]2CCCN(C(=O)[O-])C2)CCO1	ZINC000738422936	582047835	/nfs/dbraw/zinc/04/78/35/582047835.db2.gz	NSZAXSYMCOWZEO-UWVGGRQHSA-N	-1	0	267.285	0.127	20	30		CCEDRM
N#Cc1cnn(-c2ccc(C(=O)NCCC(=O)[O-])cc2)c1N	ZINC000738434697	582049179	/nfs/dbraw/zinc/04/91/79/582049179.db2.gz	APLJLPYUFDCFOR-UHFFFAOYSA-N	-1	0	299.290	0.531	20	30		CCEDRM
N#Cc1nnc2ccccc2c1N1CCO[C@H](C(=O)[O-])C1	ZINC000738435649	582049627	/nfs/dbraw/zinc/04/96/27/582049627.db2.gz	RBRIDSBXQLAYDF-LBPRGKRZSA-N	-1	0	284.275	0.791	20	30		CCEDRM
C[C@H](C(=O)[N-]S(=O)(=O)CCCC#N)c1cnn(C)c1	ZINC000776116016	582052358	/nfs/dbraw/zinc/05/23/58/582052358.db2.gz	FPNKGSLQYLGULR-VIFPVBQESA-N	-1	0	284.341	0.273	20	30		CCEDRM
CC(C)CO[C@@H](C)C(=O)[N-]S(=O)(=O)CCCC#N	ZINC000776122013	582052760	/nfs/dbraw/zinc/05/27/60/582052760.db2.gz	LFZOSECUWAMELA-JTQLQIEISA-N	-1	0	276.358	0.797	20	30		CCEDRM
C#CCN1CCN(C(=O)[C@@](C)(CCC)NC(=O)[O-])CC1	ZINC000738459373	582053188	/nfs/dbraw/zinc/05/31/88/582053188.db2.gz	AOISOWFYLVQOHR-CQSZACIVSA-N	-1	0	281.356	0.590	20	30		CCEDRM
C#CCNC(=O)N[C@H](C)[C@@H]1CCCN(C(=O)[O-])C1	ZINC000738463115	582053957	/nfs/dbraw/zinc/05/39/57/582053957.db2.gz	NEKFWRCIJXTQEC-NXEZZACHSA-N	-1	0	253.302	0.697	20	30		CCEDRM
C#Cc1ccc(C(=O)N[C@@H]2CCN(C(=O)[O-])C2)nc1	ZINC000738467539	582054295	/nfs/dbraw/zinc/05/42/95/582054295.db2.gz	MWGJKGQZQHSUJK-SNVBAGLBSA-N	-1	0	259.265	0.545	20	30		CCEDRM
C=CCOC(=O)C(C)(C)N1CCN(C(=O)[O-])CC1	ZINC000738490993	582055687	/nfs/dbraw/zinc/05/56/87/582055687.db2.gz	GFTXZBZSXKGJGP-UHFFFAOYSA-N	-1	0	256.302	0.790	20	30		CCEDRM
C[C@H](C#N)CN(C)C(=O)N[C@H]1CCN(C(=O)[O-])C1	ZINC000738597260	582064906	/nfs/dbraw/zinc/06/49/06/582064906.db2.gz	QDCPTTJBFSGGPJ-BDAKNGLRSA-N	-1	0	254.290	0.540	20	30		CCEDRM
Cn1nccc1S(=O)(=O)[N-]c1cc(C#N)ccc1O	ZINC000751215129	582072902	/nfs/dbraw/zinc/07/29/02/582072902.db2.gz	IGHMUIIIHGFOEJ-UHFFFAOYSA-N	-1	0	278.293	0.798	20	30		CCEDRM
C=CCOCC(=O)[N-]S(=O)(=O)c1cc(C)oc1C	ZINC000776563791	582078428	/nfs/dbraw/zinc/07/84/28/582078428.db2.gz	JEPSAKNBVCBVTI-UHFFFAOYSA-N	-1	0	273.310	0.904	20	30		CCEDRM
C=CCC[C@@H](NS(=O)(=O)c1cccc(N)c1)C(=O)[O-]	ZINC000776597445	582083516	/nfs/dbraw/zinc/08/35/16/582083516.db2.gz	QAHRSQRZOPNDDP-LLVKDONJSA-N	-1	0	284.337	0.967	20	30		CCEDRM
N#Cc1cc(F)ccc1S(=O)(=O)N(CC(=O)[O-])C1CC1	ZINC000776667417	582085874	/nfs/dbraw/zinc/08/58/74/582085874.db2.gz	GBVSBPJBXKSCLB-UHFFFAOYSA-N	-1	0	298.295	0.935	20	30		CCEDRM
C[C@H](NC(=O)[O-])C(=O)N(CCC#N)Cc1ccccn1	ZINC000738982300	582095243	/nfs/dbraw/zinc/09/52/43/582095243.db2.gz	XADKBHYBEYYPTD-JTQLQIEISA-N	-1	0	276.296	0.980	20	30		CCEDRM
N#CCN(CC(=O)[O-])C(=O)c1ccc(-n2ccnc2)nc1	ZINC000739085490	582101871	/nfs/dbraw/zinc/10/18/71/582101871.db2.gz	AKUPSZSLOXGJOX-UHFFFAOYSA-N	-1	0	285.263	0.318	20	30		CCEDRM
N#Cc1ccc(C(=O)Nc2cnn(CC(=O)[O-])c2)cn1	ZINC000739106682	582102692	/nfs/dbraw/zinc/10/26/92/582102692.db2.gz	SZVYCKBWXXXWJD-UHFFFAOYSA-N	-1	0	271.236	0.487	20	30		CCEDRM
C=C(Br)CNC(=O)C[C@]1(C(=O)[O-])CCOC1	ZINC000872914862	613236525	/nfs/dbraw/zinc/23/65/25/613236525.db2.gz	ROTWMXSSWFOUQB-SNVBAGLBSA-N	-1	0	292.129	0.893	20	30		CCEDRM
N#C[C@@H]1CCC[C@@H]1NS(=O)(=O)c1ccc(C(=O)[O-])o1	ZINC000061890057	601476720	/nfs/dbraw/zinc/47/67/20/601476720.db2.gz	URSJOFUFHJGBJV-YUMQZZPRSA-N	-1	0	284.293	0.948	20	30		CCEDRM
Cc1cc(NC(=O)CSCC(=O)[O-])n(CCC#N)n1	ZINC000740086005	597090278	/nfs/dbraw/zinc/09/02/78/597090278.db2.gz	IOZMEHVSXGWPFC-UHFFFAOYSA-N	-1	0	282.325	0.862	20	30		CCEDRM
N#Cc1ccccc1OCC(=O)NCCCC(=O)[O-]	ZINC000037409941	597275758	/nfs/dbraw/zinc/27/57/58/597275758.db2.gz	KGGDEMIXLBCUOD-UHFFFAOYSA-N	-1	0	262.265	0.918	20	30		CCEDRM
C#CCOCCN1c2ccccc2C([O-])=CS1(=O)=O	ZINC000902661532	612985151	/nfs/dbraw/zinc/98/51/51/612985151.db2.gz	NPNSVCUMBMFMMA-UHFFFAOYSA-N	-1	0	279.317	0.669	20	30		CCEDRM
C[C@@H](NC(=O)Cc1cccc(OCC#N)c1)C(=O)[O-]	ZINC000820121846	597454970	/nfs/dbraw/zinc/45/49/70/597454970.db2.gz	DKNIKRRLWILYHF-SECBINFHSA-N	-1	0	262.265	0.721	20	30		CCEDRM
C[C@@H](C(=O)[O-])N(C)CCS(=O)(=O)c1ccc(C#N)cc1	ZINC000163337703	597472730	/nfs/dbraw/zinc/47/27/30/597472730.db2.gz	NGYGADKYQMFATO-JTQLQIEISA-N	-1	0	296.348	0.737	20	30		CCEDRM
C[C@](C#N)(CC(=O)[O-])C(=O)N1CC[C@H]([C@H]2CCOC2)C1	ZINC000819811687	597603449	/nfs/dbraw/zinc/60/34/49/597603449.db2.gz	UNBGHYQVWPMJFR-COPLHBTASA-N	-1	0	280.324	0.876	20	30		CCEDRM
C[C@@](C#N)(CC(=O)[O-])C(=O)OCCN1CCCC1=O	ZINC000819866440	597616528	/nfs/dbraw/zinc/61/65/28/597616528.db2.gz	XAEZGYLQVGHRCH-LBPRGKRZSA-N	-1	0	268.269	0.157	20	30		CCEDRM
C[C@@H]1CCCN(C(=O)COC(=O)[C@](C)(C#N)CC(=O)[O-])C1	ZINC000820238498	597622328	/nfs/dbraw/zinc/62/23/28/597622328.db2.gz	QRCIFYUMRMTGFY-YGRLFVJLSA-N	-1	0	296.323	0.793	20	30		CCEDRM
C[C@@](C#N)(CC(=O)[O-])C(=O)OCCNC(=O)C1CCCC1	ZINC000819866086	597623022	/nfs/dbraw/zinc/62/30/22/597623022.db2.gz	RLEPDDYBLDMBRK-AWEZNQCLSA-N	-1	0	296.323	0.841	20	30		CCEDRM
C[C@](C#N)(CC(=O)[O-])C(=O)NCCNc1cnccn1	ZINC000819842179	597637691	/nfs/dbraw/zinc/63/76/91/597637691.db2.gz	KXDMTSSTLSQAAS-GFCCVEGCSA-N	-1	0	277.284	0.009	20	30		CCEDRM
C[C@](C#N)(CC(=O)[O-])C(=O)NCCOC[C@H]1CCOC1	ZINC000819843141	597645571	/nfs/dbraw/zinc/64/55/71/597645571.db2.gz	YLSJPRXDTWDELC-GXFFZTMASA-N	-1	0	284.312	0.160	20	30		CCEDRM
C[C@](C#N)(CC(=O)[O-])C(=O)NC[C@@H]1CCCN(CC#N)C1	ZINC000819834541	597649469	/nfs/dbraw/zinc/64/94/69/597649469.db2.gz	OHZVSOAYDVDATE-SMDDNHRTSA-N	-1	0	292.339	0.343	20	30		CCEDRM
C[C@@](C#N)(CC(=O)[O-])C(=O)NC[C@@H]1CSCCS1	ZINC000819833848	597653889	/nfs/dbraw/zinc/65/38/89/597653889.db2.gz	JMEBGIHQKZLYFG-KCJUWKMLSA-N	-1	0	288.394	0.956	20	30		CCEDRM
C[C@](C#N)(CC(=O)[O-])C(=O)NCc1ncccc1F	ZINC000819848660	597658885	/nfs/dbraw/zinc/65/88/85/597658885.db2.gz	ULSXXXVKPHNKKV-GFCCVEGCSA-N	-1	0	265.244	0.841	20	30		CCEDRM
C[C@](C#N)(CC(=O)[O-])C(=O)NC[C@](C)(O)C(F)(F)F	ZINC000819835483	597660122	/nfs/dbraw/zinc/66/01/22/597660122.db2.gz	VJCLPYPMHWJBND-BDAKNGLRSA-N	-1	0	282.218	0.420	20	30		CCEDRM
O=C([O-])CCNN=Cc1c[nH]nc1-c1cccnc1	ZINC000821524785	597740952	/nfs/dbraw/zinc/74/09/52/597740952.db2.gz	GELRNDSRFWROFR-UHFFFAOYSA-N	-1	0	259.269	0.870	20	30		CCEDRM
Cc1onc(CC(=O)N2CC[C@H](C(=O)[O-])C2)c1C#N	ZINC000821257474	598220585	/nfs/dbraw/zinc/22/05/85/598220585.db2.gz	PHLUPHSHOKXTPT-QMMMGPOBSA-N	-1	0	263.253	0.330	20	30		CCEDRM
C[C@](C#N)(CC(=O)[O-])C(=O)N1CCN(C(=O)C2CC2)CC1	ZINC000819811564	598222216	/nfs/dbraw/zinc/22/22/16/598222216.db2.gz	QXPQEWUAICORGQ-CQSZACIVSA-N	-1	0	293.323	0.072	20	30		CCEDRM
C[C@@H]1CN(C(=O)[C@](C)(C#N)CC(=O)[O-])[C@H](C)CO1	ZINC000820246058	598223664	/nfs/dbraw/zinc/22/36/64/598223664.db2.gz	RNOFGOJPZJIQSD-LNLATYFQSA-N	-1	0	254.286	0.627	20	30		CCEDRM
C[C@@](C#N)(CC(=O)[O-])C(=O)NCCC(=O)N1CCCCC1	ZINC000819832855	598224420	/nfs/dbraw/zinc/22/44/20/598224420.db2.gz	DJMWYWDAUYIOID-AWEZNQCLSA-N	-1	0	295.339	0.510	20	30		CCEDRM
C[C@H]1CN(C(=O)[C@@](C)(C#N)CC(=O)[O-])CCCO1	ZINC000820245560	598226614	/nfs/dbraw/zinc/22/66/14/598226614.db2.gz	OHIKKEAXSCNPQA-JOYOIKCWSA-N	-1	0	254.286	0.628	20	30		CCEDRM
C[C@](C#N)(CC(=O)[O-])C(=O)NCCOc1cccnc1	ZINC000819841763	598227660	/nfs/dbraw/zinc/22/76/60/598227660.db2.gz	CSXXSUYDDIITQO-CYBMUJFWSA-N	-1	0	277.280	0.581	20	30		CCEDRM
C#CCO[N-]C(=O)C1=NN(CC(C)C)C(=O)CC1	ZINC000812783234	612991811	/nfs/dbraw/zinc/99/18/11/612991811.db2.gz	FHHCFXQDVXKFMU-UHFFFAOYSA-N	-1	0	251.286	0.302	20	30		CCEDRM
C#CCO[C@H](C)C(=O)[N-]S(=O)(=O)C1(Cl)CC1	ZINC000893234757	613002245	/nfs/dbraw/zinc/00/22/45/613002245.db2.gz	KEXMFANGTZZMBG-SSDOTTSWSA-N	-1	0	265.718	0.200	20	30		CCEDRM
C#CCO[C@H](C)C(=O)N[C@@H](c1nc(=O)o[n-]1)C(C)(C)C	ZINC000911586275	613002381	/nfs/dbraw/zinc/00/23/81/613002381.db2.gz	AIKJGYLBWQWXNN-BDAKNGLRSA-N	-1	0	281.312	0.605	20	30		CCEDRM
Cc1cc(C)n(N=Cc2cc[nH]c2)c(=O)c1-c1nnn[n-]1	ZINC000822198657	599664290	/nfs/dbraw/zinc/66/42/90/599664290.db2.gz	DPBGCCMAHRFRBA-UHFFFAOYSA-N	-1	0	283.295	0.856	20	30		CCEDRM
C[C@@H](CC#N)NS(=O)(=O)c1ccc(C(=O)[O-])o1	ZINC000050391967	599774912	/nfs/dbraw/zinc/77/49/12/599774912.db2.gz	MKWROCPBQOZGPZ-LURJTMIESA-N	-1	0	258.255	0.558	20	30		CCEDRM
O=C([O-])c1ccc(O)c(C=NN[C@@H]2CCS(=O)(=O)C2)c1	ZINC000740154393	599906137	/nfs/dbraw/zinc/90/61/37/599906137.db2.gz	AIQYSBUUEFVELT-SNVBAGLBSA-N	-1	0	298.320	0.201	20	30		CCEDRM
C#CCNC(=O)CN1Cc2ccccc2C[C@H]1C(=O)[O-]	ZINC000061448884	600031553	/nfs/dbraw/zinc/03/15/53/600031553.db2.gz	AFADKRZGDBAMHI-ZDUSSCGKSA-N	-1	0	272.304	0.247	20	30		CCEDRM
C=C(Br)CNC(=O)N1CCO[C@H](C(=O)[O-])C1	ZINC000168360678	600038167	/nfs/dbraw/zinc/03/81/67/600038167.db2.gz	ZUIWKUIBOVKPNE-ZETCQYMHSA-N	-1	0	293.117	0.390	20	30		CCEDRM
N#CCN(CC(=O)[O-])C(=O)c1cc(-c2ccncc2)on1	ZINC000739079510	600400553	/nfs/dbraw/zinc/40/05/53/600400553.db2.gz	YERJCGJUGRPYIE-UHFFFAOYSA-N	-1	0	286.247	0.787	20	30		CCEDRM
C#CCCNS(=O)(=O)c1cc(C(=O)[O-])ccc1F	ZINC000070246330	600652119	/nfs/dbraw/zinc/65/21/19/600652119.db2.gz	VTYTYGBKNLXMKS-UHFFFAOYSA-N	-1	0	271.269	0.826	20	30		CCEDRM
N#CCN(CC(=O)[O-])S(=O)(=O)c1ccccc1	ZINC000586112749	600763913	/nfs/dbraw/zinc/76/39/13/600763913.db2.gz	QFPKDVBSMQZZSP-UHFFFAOYSA-N	-1	0	254.267	0.285	20	30		CCEDRM
N#CCN(CC(=O)[O-])S(=O)(=O)c1ccccc1Cl	ZINC000586169752	600763971	/nfs/dbraw/zinc/76/39/71/600763971.db2.gz	WETPMEQHUWNEHR-UHFFFAOYSA-N	-1	0	288.712	0.939	20	30		CCEDRM
N#CCN(CC(=O)[O-])CC(=O)Nc1ccc(F)cc1F	ZINC000833066893	601002760	/nfs/dbraw/zinc/00/27/60/601002760.db2.gz	LEINZTDBPBWNBB-UHFFFAOYSA-N	-1	0	283.234	0.813	20	30		CCEDRM
N#CCN(CC(=O)[O-])CC(=O)Nc1ccc2c(c1)OCO2	ZINC000833066885	601002819	/nfs/dbraw/zinc/00/28/19/601002819.db2.gz	KXSDMJDKIIAFLI-UHFFFAOYSA-N	-1	0	291.263	0.264	20	30		CCEDRM
N#CCN(CC(=O)[O-])Cc1nc(-c2ccoc2)no1	ZINC000833066620	601004156	/nfs/dbraw/zinc/00/41/56/601004156.db2.gz	FAEHMEWVMLEPNF-UHFFFAOYSA-N	-1	0	262.225	0.740	20	30		CCEDRM
CC(C)c1cc(C(=O)N(CC#N)CC(=O)[O-])n(C)n1	ZINC000827102144	601059149	/nfs/dbraw/zinc/05/91/49/601059149.db2.gz	QVHNZBOJFUCMQT-UHFFFAOYSA-N	-1	0	264.285	0.594	20	30		CCEDRM
Cc1cccc(OC[C@H](O)CN(CC#N)CC(=O)[O-])c1	ZINC000832972075	601242418	/nfs/dbraw/zinc/24/24/18/601242418.db2.gz	IJOVKEGIBQDDNT-GFCCVEGCSA-N	-1	0	278.308	0.645	20	30		CCEDRM
N#CC1(NC(=O)CN2CC[C@@](F)(C(=O)[O-])C2)CCCCC1	ZINC000833064945	601444326	/nfs/dbraw/zinc/44/43/26/601444326.db2.gz	PHFNXUVGVBHDCP-AWEZNQCLSA-N	-1	0	297.330	0.828	20	30		CCEDRM
N#CCCN(CCC#N)C(=O)CN1CC[C@@](F)(C(=O)[O-])C1	ZINC000833065693	601550923	/nfs/dbraw/zinc/55/09/23/601550923.db2.gz	KAQSGBPKZYKFEW-ZDUSSCGKSA-N	-1	0	296.302	0.141	20	30		CCEDRM
N#Cc1ccccc1/C=C\C(=O)N1CCOC[C@H]1C(=O)[O-]	ZINC000833075922	601609765	/nfs/dbraw/zinc/60/97/65/601609765.db2.gz	YWPMANZZWOYOHP-SZZPACECSA-N	-1	0	286.287	0.883	20	30		CCEDRM
N#Cc1ccc(CC(=O)N2CCO[C@@H](CC(=O)[O-])C2)cc1	ZINC000833072480	601670172	/nfs/dbraw/zinc/67/01/72/601670172.db2.gz	NAKMPZTXFPLIIY-ZDUSSCGKSA-N	-1	0	288.303	0.803	20	30		CCEDRM
N#Cc1cc(F)c(C(=O)N2CCO[C@H](C(=O)[O-])C2)c(F)c1	ZINC000819095998	601677816	/nfs/dbraw/zinc/67/78/16/601677816.db2.gz	QFJXQHYRPFHTTB-JTQLQIEISA-N	-1	0	296.229	0.762	20	30		CCEDRM
N#Cc1ccccc1/C=C/C(=O)N[C@]1(C(=O)[O-])CCOC1	ZINC000833075296	601725641	/nfs/dbraw/zinc/72/56/41/601725641.db2.gz	PTQMIKBJPFZXEU-LLYBFZRZSA-N	-1	0	286.287	0.931	20	30		CCEDRM
CCN(C[C@@H](C)C#N)S(=O)(=O)C[C@@H](C)C(=O)[O-]	ZINC000829642893	601781480	/nfs/dbraw/zinc/78/14/80/601781480.db2.gz	PCKWDOVKMQVVEJ-DTWKUNHWSA-N	-1	0	262.331	0.518	20	30		CCEDRM
C[C@H](CS(=O)(=O)N[C@@H]1CCC[C@H]1C#N)C(=O)[O-]	ZINC000827553893	601798669	/nfs/dbraw/zinc/79/86/69/601798669.db2.gz	RHIMUGCKIWRXPD-HRDYMLBCSA-N	-1	0	260.315	0.319	20	30		CCEDRM
C[C@]1(C(=O)[O-])CCN(C(=O)NC2CCN(CC#N)CC2)C1	ZINC000827995585	602068600	/nfs/dbraw/zinc/06/86/00/602068600.db2.gz	BXBWZJWYOMZTOL-AWEZNQCLSA-N	-1	0	294.355	0.481	20	30		CCEDRM
C[C@H](CC(=O)[O-])C(=O)[C@H](C#N)C(=O)NC1CCCC1	ZINC000827240732	602183255	/nfs/dbraw/zinc/18/32/55/602183255.db2.gz	MWQYQVLXAIGHFA-SCZZXKLOSA-N	-1	0	266.297	0.865	20	30		CCEDRM
Cc1ncc(CO)c(/C=N/[C@@H]2CCN(C(=O)[O-])C2)c1O	ZINC000740232596	602457480	/nfs/dbraw/zinc/45/74/80/602457480.db2.gz	QHBIZISGBDYOPJ-WEAXSSFESA-N	-1	0	279.296	0.759	20	30		CCEDRM
N#CCN(CC#N)C(=O)c1ccc(CNC(=O)[O-])o1	ZINC000831097735	602785071	/nfs/dbraw/zinc/78/50/71/602785071.db2.gz	RZYKJALECZRPQG-UHFFFAOYSA-N	-1	0	262.225	0.537	20	30		CCEDRM
N#CCN(CC#N)C(=O)CN(CC1CC1)C(=O)[O-]	ZINC000831097648	602785075	/nfs/dbraw/zinc/78/50/75/602785075.db2.gz	OPKKZTYONVNNHE-UHFFFAOYSA-N	-1	0	250.258	0.252	20	30		CCEDRM
N#Cc1cnn(C(=O)[C@H]2CCC[C@H](NC(=O)[O-])C2)c1N	ZINC000831162263	603520981	/nfs/dbraw/zinc/52/09/81/603520981.db2.gz	ZPMOLNVVLOVIPN-CBAPKCEASA-N	-1	0	277.284	0.804	20	30		CCEDRM
CCN(CCC#N)CN1C[C@@H]2CN(C(=O)[O-])CCN2C1=O	ZINC000827111741	603599648	/nfs/dbraw/zinc/59/96/48/603599648.db2.gz	RLHMXOOAQLOVDJ-NSHDSACASA-N	-1	0	295.343	0.279	20	30		CCEDRM
Cn1c(Cl)cnc1CN1CCN(C(=O)[O-])C[C@@H]1C#N	ZINC000830975515	603727460	/nfs/dbraw/zinc/72/74/60/603727460.db2.gz	YPBQOJQZRRSSAO-QMMMGPOBSA-N	-1	0	283.719	0.761	20	30		CCEDRM
O=C([O-])N1CCC(C=NNC(=S)NC2CC2)CC1	ZINC000831869086	603856503	/nfs/dbraw/zinc/85/65/03/603856503.db2.gz	IFRLLLBWYINCEA-UHFFFAOYSA-N	-1	0	270.358	0.989	20	30		CCEDRM
N#CCNC(=O)CNc1cccc2c1CCN(C(=O)[O-])C2	ZINC000831102602	603868917	/nfs/dbraw/zinc/86/89/17/603868917.db2.gz	OJQQAPCLPBIICZ-UHFFFAOYSA-N	-1	0	288.307	0.774	20	30		CCEDRM
C[C@@]1(C(=O)Nc2cnn(CC#N)c2)CCN(C(=O)[O-])C1	ZINC000825684934	603902249	/nfs/dbraw/zinc/90/22/49/603902249.db2.gz	NGJFVOMAAGZYRD-GFCCVEGCSA-N	-1	0	277.284	0.735	20	30		CCEDRM
N#C[C@@H]1CCC[C@H]1NC(=O)[C@@]1(F)CCN(C(=O)[O-])C1	ZINC000831075762	603959125	/nfs/dbraw/zinc/95/91/25/603959125.db2.gz	CWTTVSFQJGAWKM-YGOYTEALSA-N	-1	0	269.276	0.887	20	30		CCEDRM
N#C[C@@H]1CCC[C@@H]1NC(=O)CN(C[C@@H]1CCCO1)C(=O)[O-]	ZINC000831076654	603959762	/nfs/dbraw/zinc/95/97/62/603959762.db2.gz	QKWQICPZBLUMJP-SRVKXCTJSA-N	-1	0	295.339	0.954	20	30		CCEDRM
N#CC1(NC(=O)[C@@]2(F)CCN(C(=O)[O-])C2)CCC1	ZINC000831070179	603988198	/nfs/dbraw/zinc/98/81/98/603988198.db2.gz	GAOXEGPEBXSLGB-LLVKDONJSA-N	-1	0	255.249	0.641	20	30		CCEDRM
C[C@H](C(=O)N1CCN(C(=O)[O-])C[C@@H]1C#N)n1cccn1	ZINC000823669631	604072228	/nfs/dbraw/zinc/07/22/28/604072228.db2.gz	ONGDHFGZLJLJOC-ZJUUUORDSA-N	-1	0	277.284	0.158	20	30		CCEDRM
N#C[C@H]1CN(C(=O)[O-])CCN1C(=O)c1ccon1	ZINC000831092789	604079421	/nfs/dbraw/zinc/07/94/21/604079421.db2.gz	YVDZWOSHFZFBAU-ZETCQYMHSA-N	-1	0	250.214	0.003	20	30		CCEDRM
N#C[C@H]1CN(C(=O)[O-])CCN1C(=O)CCOCC1CC1	ZINC000831082068	604084022	/nfs/dbraw/zinc/08/40/22/604084022.db2.gz	HJNFPPNEKKWKOQ-NSHDSACASA-N	-1	0	281.312	0.517	20	30		CCEDRM
Cn1cc(C#N)c(NC(=O)NC[C@@H]2CCCN2C(=O)[O-])n1	ZINC000830985471	604154515	/nfs/dbraw/zinc/15/45/15/604154515.db2.gz	RAWUJCPEMBLDQZ-VIFPVBQESA-N	-1	0	292.299	0.556	20	30		CCEDRM
C#CCNC(=O)c1ccc(NC[C@@H](CC)C(=O)[O-])nc1	ZINC000900974605	612952391	/nfs/dbraw/zinc/95/23/91/612952391.db2.gz	NBBNHZFDODBSSM-SNVBAGLBSA-N	-1	0	275.308	0.967	20	30		CCEDRM
N#Cc1cc(F)c(C(=O)NCCNC(=O)[O-])c(F)c1	ZINC000831115082	604182093	/nfs/dbraw/zinc/18/20/93/604182093.db2.gz	ZCUPJWAOSBLJTR-UHFFFAOYSA-N	-1	0	269.207	0.834	20	30		CCEDRM
N#C[C@H](NC(=O)[C@@H]1CN(C(=O)[O-])CCO1)C1CCCCC1	ZINC000831071120	604274332	/nfs/dbraw/zinc/27/43/32/604274332.db2.gz	YMBINKUWLGRSFJ-RYUDHWBXSA-N	-1	0	295.339	0.954	20	30		CCEDRM
N#CCc1ccnc(NC(=O)[C@@H]2CN(C(=O)[O-])CCO2)c1	ZINC000831109247	604309268	/nfs/dbraw/zinc/30/92/68/604309268.db2.gz	DFEJOERAZZSIMK-JTQLQIEISA-N	-1	0	290.279	0.465	20	30		CCEDRM
N#Cc1ncn(CC(=O)N[C@H](C(=O)[O-])C2CCCCC2)n1	ZINC000833078848	604336275	/nfs/dbraw/zinc/33/62/75/604336275.db2.gz	QIQCMLCTDDYMGW-LBPRGKRZSA-N	-1	0	291.311	0.299	20	30		CCEDRM
Cc1cc(C#N)ccc1S(=O)(=O)NC1CN(C(=O)[O-])C1	ZINC000829904210	604413979	/nfs/dbraw/zinc/41/39/79/604413979.db2.gz	IUFNBOBUYYSKKP-UHFFFAOYSA-N	-1	0	295.320	0.507	20	30		CCEDRM
C#CC[C@@H](NC(=O)C1(OCC)CCOCC1)C(=O)[O-]	ZINC000910045932	613039363	/nfs/dbraw/zinc/03/93/63/613039363.db2.gz	HOLWWBIAVTYPNF-SNVBAGLBSA-N	-1	0	269.297	0.165	20	30		CCEDRM
Cn1cc(C#N)c(NC(=O)N2CCC[C@@H]2CC(=O)[O-])n1	ZINC000833041056	604635912	/nfs/dbraw/zinc/63/59/12/604635912.db2.gz	WYPVSJRKWYZFSX-SECBINFHSA-N	-1	0	277.284	0.763	20	30		CCEDRM
C[C@@H](CC#N)N(C)C(=O)[C@H]1CN(C(=O)[O-])CCO1	ZINC000824544498	604832216	/nfs/dbraw/zinc/83/22/16/604832216.db2.gz	QWIDKLPMGULZRD-DTWKUNHWSA-N	-1	0	255.274	0.126	20	30		CCEDRM
N#CCCN(CC1CC1)C(=O)[C@H]1CN(C(=O)[O-])CCO1	ZINC000831097057	604832910	/nfs/dbraw/zinc/83/29/10/604832910.db2.gz	CRPJWLJTULWHSR-LLVKDONJSA-N	-1	0	281.312	0.517	20	30		CCEDRM
N#CCCCS(=O)(=O)N1CCCC[C@@H]1CC(=O)[O-]	ZINC000833759946	604956266	/nfs/dbraw/zinc/95/62/66/604956266.db2.gz	AVMYWTBTCSEXFI-SNVBAGLBSA-N	-1	0	274.342	0.949	20	30		CCEDRM
Cc1cccc(S(=O)(=O)N(CC#N)CC(=O)[O-])c1C#N	ZINC000833753443	605029735	/nfs/dbraw/zinc/02/97/35/605029735.db2.gz	MUZNLMTYRIIZRW-UHFFFAOYSA-N	-1	0	293.304	0.466	20	30		CCEDRM
N#CCCCNC(=O)CN(C[C@H]1CCCO1)C(=O)[O-]	ZINC000833969703	605350792	/nfs/dbraw/zinc/35/07/92/605350792.db2.gz	WTGVOCHKPDXSPT-SNVBAGLBSA-N	-1	0	269.301	0.565	20	30		CCEDRM
NS(=O)(=O)c1ccc(N=NCCCNC(=O)[O-])cc1	ZINC000831252551	605459659	/nfs/dbraw/zinc/45/96/59/605459659.db2.gz	VQFZFYYETHHPDK-UHFFFAOYSA-N	-1	0	286.313	0.389	20	30		CCEDRM
N#Cc1ccc(C(=O)NC[C@H]2CCN(C(=O)[O-])C2)nc1	ZINC000833972698	605530242	/nfs/dbraw/zinc/53/02/42/605530242.db2.gz	GGYPKRMAGKEJBL-SNVBAGLBSA-N	-1	0	274.280	0.683	20	30		CCEDRM
C=CCCC(=O)N1CC(n2cc(C(=O)[O-])nn2)C1	ZINC000092696348	605537745	/nfs/dbraw/zinc/53/77/45/605537745.db2.gz	BMUVPZLPXTVBLJ-UHFFFAOYSA-N	-1	0	250.258	0.326	20	30		CCEDRM
O=C([O-])Nc1ccc(C=NN2C(=O)CNC2=O)cn1	ZINC000834255870	605700197	/nfs/dbraw/zinc/70/01/97/605700197.db2.gz	LWXRBNWATPCSBF-UHFFFAOYSA-N	-1	0	263.213	0.057	20	30		CCEDRM
N#CC1(NC(=O)CO[C@@H]2CCCN(C(=O)[O-])C2)CC1	ZINC000831076752	605726531	/nfs/dbraw/zinc/72/65/31/605726531.db2.gz	RYWMOXYXZHONBD-SECBINFHSA-N	-1	0	267.285	0.318	20	30		CCEDRM
Cn1ncn(Cc2cccc(C(=O)[O-])c2C#N)c1=O	ZINC000833759304	605787435	/nfs/dbraw/zinc/78/74/35/605787435.db2.gz	CRWZWVBDIRWWFZ-UHFFFAOYSA-N	-1	0	258.237	0.200	20	30		CCEDRM
N#Cc1ccc([C@@H](O)C(=O)N[C@H]2CCN(C(=O)[O-])C2)cc1	ZINC000833972875	605837952	/nfs/dbraw/zinc/83/79/52/605837952.db2.gz	IFBVWOJEEXXPSJ-NWDGAFQWSA-N	-1	0	289.291	0.460	20	30		CCEDRM
C=CCNC(=O)NC(=O)CN1CCCCC[C@H]1C(=O)[O-]	ZINC000080992810	605852891	/nfs/dbraw/zinc/85/28/91/605852891.db2.gz	LQGQOXYAQBRFQD-JTQLQIEISA-N	-1	0	283.328	0.327	20	30		CCEDRM
N#Cc1ccc(C(=O)N2CC[C@H](CNC(=O)[O-])C2)[nH]1	ZINC000833974970	605861506	/nfs/dbraw/zinc/86/15/06/605861506.db2.gz	YGGVVYCDQXTAGF-MRVPVSSYSA-N	-1	0	262.269	0.616	20	30		CCEDRM
N#CCSCC(=O)NC[C@@H](NC(=O)[O-])C1CC1	ZINC000833968637	605915472	/nfs/dbraw/zinc/91/54/72/605915472.db2.gz	VCBPDJOFPPHLFG-MRVPVSSYSA-N	-1	0	257.315	0.406	20	30		CCEDRM
N#C[C@@H]1COCCN1C(=O)[C@H]1CC12CCN(C(=O)[O-])CC2	ZINC000833967201	605936041	/nfs/dbraw/zinc/93/60/41/605936041.db2.gz	QGQNBXJNVLHTKJ-GHMZBOCLSA-N	-1	0	293.323	0.517	20	30		CCEDRM
N#CCCN(CCC#N)C(=O)CN(C(=O)[O-])C1CC1	ZINC000833965094	605965590	/nfs/dbraw/zinc/96/55/90/605965590.db2.gz	AAIQRTNCFGKAPZ-UHFFFAOYSA-N	-1	0	264.285	0.785	20	30		CCEDRM
N#CCN1CCC(CNC(=O)CN(C(=O)[O-])C2CC2)CC1	ZINC000833966408	605985292	/nfs/dbraw/zinc/98/52/92/605985292.db2.gz	GEGAIQSODHVVJN-UHFFFAOYSA-N	-1	0	294.355	0.481	20	30		CCEDRM
N#C[C@@H]1CN(C(=O)[C@H](CC(F)F)NC(=O)[O-])CCO1	ZINC000833968895	606039754	/nfs/dbraw/zinc/03/97/54/606039754.db2.gz	YNWLKLCPHIXFAH-RQJHMYQMSA-N	-1	0	277.227	0.029	20	30		CCEDRM
C#CCCS(=O)(=O)[N-]C(=O)C1SCCCS1	ZINC000842345494	613052814	/nfs/dbraw/zinc/05/28/14/613052814.db2.gz	GAPRONFCJSUVPG-UHFFFAOYSA-N	-1	0	279.408	0.652	20	30		CCEDRM
Cc1cc(C(=O)Nc2nc(C#N)c(-c3nn[nH]n3)[n-]2)oc1C	ZINC000822183836	607145868	/nfs/dbraw/zinc/14/58/68/607145868.db2.gz	KAUQMXGADDEYAT-UHFFFAOYSA-N	-1	0	298.266	0.924	20	30		CCEDRM
Cc1cc(C)n(N=Cc2cncn2C)c(=O)c1-c1nnn[n-]1	ZINC000826265930	607885281	/nfs/dbraw/zinc/88/52/81/607885281.db2.gz	UFTRXFFKVLLRKW-UHFFFAOYSA-N	-1	0	298.310	0.261	20	30		CCEDRM
C#C[C@@H](NC(=O)NCC(=O)[N-]OCC)c1ccccc1	ZINC000845537832	613095332	/nfs/dbraw/zinc/09/53/32/613095332.db2.gz	ZYWWJHCBRSZZJF-GFCCVEGCSA-N	-1	0	275.308	0.728	20	30		CCEDRM
C#CCN(CC(=O)[O-])S(=O)(=O)C[C@@H](OCC)C1CC1	ZINC000863409922	613103457	/nfs/dbraw/zinc/10/34/57/613103457.db2.gz	PBIXGGNXBHCJTM-LLVKDONJSA-N	-1	0	289.353	0.151	20	30		CCEDRM
C#CCN(CC(=O)[O-])S(=O)(=O)Cc1ccc(C)c(F)c1	ZINC000849218908	613103551	/nfs/dbraw/zinc/10/35/51/613103551.db2.gz	BKGZUNHXRVZZSZ-UHFFFAOYSA-N	-1	0	299.323	0.984	20	30		CCEDRM
COc1cc(NN=C2C(=O)[N-]C(=O)NC2=O)ccc1Cl	ZINC000814230308	617207151	/nfs/dbraw/zinc/20/71/51/617207151.db2.gz	MGNGZPVVZQQMDW-UHFFFAOYSA-N	-1	0	296.670	0.483	20	30		CCEDRM
CC(C)(C)[C@@H](C#N)NC(=O)COCCNC(=O)[O-]	ZINC000823760155	614021050	/nfs/dbraw/zinc/02/10/50/614021050.db2.gz	PBWYJDHNWJXBNN-MRVPVSSYSA-N	-1	0	257.290	0.325	20	30		CCEDRM
CC(C)[C@@H](C#N)NC(=O)[C@H]1CN(C(=O)[O-])CCO1	ZINC000824054682	614072280	/nfs/dbraw/zinc/07/22/80/614072280.db2.gz	BOKRMVGUOHQWCK-RKDXNWHRSA-N	-1	0	255.274	0.030	20	30		CCEDRM
C#CCCCCNC(=O)N[C@@H]1CCN(C(=O)[O-])C1	ZINC000823441200	612977972	/nfs/dbraw/zinc/97/79/72/612977972.db2.gz	XIWHQVAVPJFGLT-SNVBAGLBSA-N	-1	0	253.302	0.841	20	30		CCEDRM
C#CCCCNC(=O)C(=O)N1C[C@H](C)C[C@@H](C(=O)[O-])C1	ZINC000817892609	612979616	/nfs/dbraw/zinc/97/96/16/612979616.db2.gz	VGGKXZKBTNXVRN-GHMZBOCLSA-N	-1	0	280.324	0.085	20	30		CCEDRM
C#CCOCCC(=O)N[C@@](C)(COC)CC(=O)[O-]	ZINC000833363880	612980618	/nfs/dbraw/zinc/98/06/18/612980618.db2.gz	DXQJVHSYNQONDF-GFCCVEGCSA-N	-1	0	257.286	0.022	20	30		CCEDRM
COc1ccc(C=Nn2c(=O)[n-][nH]c2=O)c(O)c1	ZINC000814234088	617238502	/nfs/dbraw/zinc/23/85/02/617238502.db2.gz	QHQAIIGTLMMMQC-UHFFFAOYSA-N	-1	0	250.214	0.286	20	30		CCEDRM
CS[C@@H](C)CC(=O)[N-]S(=O)(=O)c1cncc(C#N)c1	ZINC000813984514	617265426	/nfs/dbraw/zinc/26/54/26/617265426.db2.gz	UDRNEWSRNUGBDL-QMMMGPOBSA-N	-1	0	299.377	0.900	20	30		CCEDRM
CS[C@H](C)C(=O)N1CCN(C(=O)[O-])C[C@@H]1C#N	ZINC000829703254	617271887	/nfs/dbraw/zinc/27/18/87/617271887.db2.gz	FPLLVMXRGCWVSY-SFYZADRCSA-N	-1	0	257.315	0.452	20	30		CCEDRM
C[C@@H](C#N)C(=O)N(CCC(=O)[O-])C[C@H]1CCCO1	ZINC000825967254	617286926	/nfs/dbraw/zinc/28/69/26/617286926.db2.gz	RZVBXOPDHCHVJV-VHSXEESVSA-N	-1	0	254.286	0.628	20	30		CCEDRM
CSc1[n-]c(=O)c(C(=O)NC[C@@H]2COCO2)cc1C#N	ZINC000861966061	617283489	/nfs/dbraw/zinc/28/34/89/617283489.db2.gz	TXVVLMUFHQZPGI-MRVPVSSYSA-N	-1	0	295.320	0.483	20	30		CCEDRM
COc1cccc(CCC(=O)[N-]S(=O)(=O)CCC#N)c1	ZINC000835411382	617296073	/nfs/dbraw/zinc/29/60/73/617296073.db2.gz	JCAAYVGAHCKAQN-UHFFFAOYSA-N	-1	0	296.348	0.987	20	30		CCEDRM
C[C@@H](C#N)CNC(=O)Nc1ccn(CC(=O)[O-])n1	ZINC000825966731	617296113	/nfs/dbraw/zinc/29/61/13/617296113.db2.gz	MAASSTFLGOEHOP-ZETCQYMHSA-N	-1	0	251.246	0.249	20	30		CCEDRM
C[C@@H](C(=O)N1CCN(C(=O)[O-])C[C@@H]1C#N)C(F)(F)F	ZINC000823669516	617304509	/nfs/dbraw/zinc/30/45/09/617304509.db2.gz	OJWGAUWBQUQKNU-BQBZGAKWSA-N	-1	0	279.218	0.899	20	30		CCEDRM
C#CC(=O)N1CC[C@@H](C)[C@@H]([N-]C(=O)C(F)(F)F)C1	ZINC000856419463	612945575	/nfs/dbraw/zinc/94/55/75/612945575.db2.gz	JFWDGMWICCHVOS-SFYZADRCSA-N	-1	0	262.231	0.535	20	30		CCEDRM
C#CCCCCC(=O)N1CC[C@H](n2cc(C(=O)[O-])nn2)C1	ZINC000910100577	612975513	/nfs/dbraw/zinc/97/55/13/612975513.db2.gz	WQJGOGSBCLSUME-NSHDSACASA-N	-1	0	290.323	0.943	20	30		CCEDRM
C#CCCCCC(=O)[N-]S(=O)(=O)c1c(C)onc1N	ZINC000810827994	612975649	/nfs/dbraw/zinc/97/56/49/612975649.db2.gz	FGCVRNFZWFDMGS-UHFFFAOYSA-N	-1	0	285.325	0.564	20	30		CCEDRM
C#CCCCNC(=O)C(=O)Nc1ccsc1C(=O)[O-]	ZINC000833362378	612980967	/nfs/dbraw/zinc/98/09/67/612980967.db2.gz	OMXNHNDCIPGBSU-UHFFFAOYSA-N	-1	0	280.305	0.914	20	30		CCEDRM
C#CCCCNC(=O)C(C)(C)N1CCN(C(=O)[O-])CC1	ZINC000823444254	612981059	/nfs/dbraw/zinc/98/10/59/612981059.db2.gz	FQMALCZNHBVHOB-UHFFFAOYSA-N	-1	0	281.356	0.590	20	30		CCEDRM
C#CCCCOC(=O)c1cc(-c2nn[nH]n2)cn1C	ZINC000819692369	612982884	/nfs/dbraw/zinc/98/28/84/612982884.db2.gz	DWSOHNJCNLRGOI-UHFFFAOYSA-N	-1	0	259.269	0.775	20	30		CCEDRM
C#CCOCCNC(=O)NCC(CC)(CC)C(=O)[O-]	ZINC000818623489	612986914	/nfs/dbraw/zinc/98/69/14/612986914.db2.gz	FRFOLNDUXYKTEK-UHFFFAOYSA-N	-1	0	270.329	0.826	20	30		CCEDRM
C#CCOCCNC(=O)NC[C@H](C(=O)[O-])C(C)C	ZINC000848581847	612987310	/nfs/dbraw/zinc/98/73/10/612987310.db2.gz	XYMMKFVAJAGWFL-JTQLQIEISA-N	-1	0	256.302	0.292	20	30		CCEDRM
C#CCOCCNC(=O)c1[nH]c(CC)c(C(=O)[O-])c1C	ZINC000833366083	612988812	/nfs/dbraw/zinc/98/88/12/612988812.db2.gz	FLVOBLBYSWCHPW-UHFFFAOYSA-N	-1	0	278.308	0.963	20	30		CCEDRM
C#CCO[N-]C(=O)CNC(=O)c1cccc([N+](=O)[O-])c1	ZINC000812784189	612992092	/nfs/dbraw/zinc/99/20/92/612992092.db2.gz	AAHRFBVJIODTTD-UHFFFAOYSA-N	-1	0	277.236	0.006	20	30		CCEDRM
C#CCO[N-]C(=O)CN1C(=C)c2ccccc2C1=O	ZINC000812782659	612992116	/nfs/dbraw/zinc/99/21/16/612992116.db2.gz	CICCTMVWJHVWKU-UHFFFAOYSA-N	-1	0	256.261	0.794	20	30		CCEDRM
C#CCO[N-]C(=O)[C@@H](CCOC)NC(=O)OC(C)(C)C	ZINC000880078725	612992280	/nfs/dbraw/zinc/99/22/80/612992280.db2.gz	HTRBMZXBBYBNKU-SNVBAGLBSA-N	-1	0	286.328	0.597	20	30		CCEDRM
C#CCO[N-]C(=O)[C@@H](CCSC)NC(=O)c1ccco1	ZINC000812781818	612992320	/nfs/dbraw/zinc/99/23/20/612992320.db2.gz	HCPXZOOQDYZQNC-SNVBAGLBSA-N	-1	0	296.348	0.812	20	30		CCEDRM
C#CCO[N-]C(=O)[C@@](C)(C#N)CC(=O)OC(C)(C)C	ZINC000812784261	612992722	/nfs/dbraw/zinc/99/27/22/612992722.db2.gz	FHERFBDKVKSRDR-CYBMUJFWSA-N	-1	0	266.297	0.929	20	30		CCEDRM
C#CCO[N-]C(=O)[C@@H]1CCCN1C(=O)Cc1cccs1	ZINC000812786470	612992809	/nfs/dbraw/zinc/99/28/09/612992809.db2.gz	LOVRCVPTOCXSOY-LBPRGKRZSA-N	-1	0	292.360	0.963	20	30		CCEDRM
C#CCO[C@@H](C)C(=O)N[C@@H](CC1CCOCC1)C(=O)[O-]	ZINC000910453453	612997040	/nfs/dbraw/zinc/99/70/40/612997040.db2.gz	NJHYILBUWCLIFF-JQWIXIFHSA-N	-1	0	283.324	0.411	20	30		CCEDRM
C#CCO[C@@H](C)C(=O)N[C@H](C)C1(C(=O)[O-])CCOCC1	ZINC000907916766	612997349	/nfs/dbraw/zinc/99/73/49/612997349.db2.gz	BXNHQWMAAKKAFA-WDEREUQCSA-N	-1	0	283.324	0.411	20	30		CCEDRM
C#CCO[C@H](C)C(=O)N1CCC(CC(=O)[O-])CC1	ZINC000908682205	612999136	/nfs/dbraw/zinc/99/91/36/612999136.db2.gz	VVBLECYCCRRMQO-SNVBAGLBSA-N	-1	0	253.298	0.738	20	30		CCEDRM
C#CCO[C@H](C)C(=O)N[C@@H](C[C@H]1CCCO1)C(=O)[O-]	ZINC000910590746	613002392	/nfs/dbraw/zinc/00/23/92/613002392.db2.gz	IYELKSGSNZLHEA-MXWKQRLJSA-N	-1	0	269.297	0.163	20	30		CCEDRM
C#CCO[C@H](C)C(=O)N[C@H](C(=O)[O-])[C@H]1CCCOC1	ZINC000909538730	613002999	/nfs/dbraw/zinc/00/29/99/613002999.db2.gz	MWTCFPYOYBLEKC-VWYCJHECSA-N	-1	0	269.297	0.021	20	30		CCEDRM
C#CCCN1CCN(C(=O)C(C)(C)C(=O)[O-])CC1	ZINC000911252740	613008884	/nfs/dbraw/zinc/00/88/84/613008884.db2.gz	SSPOKQFCJNEYMU-UHFFFAOYSA-N	-1	0	252.314	0.265	20	30		CCEDRM
C#CC[C@@H](CO)NC(=O)c1cc(C(=O)[O-])oc1C	ZINC000911395826	613028641	/nfs/dbraw/zinc/02/86/41/613028641.db2.gz	UEVGDRZGTKLADA-QMMMGPOBSA-N	-1	0	251.238	0.400	20	30		CCEDRM
C#CC[C@@H](NC(=O)C[C@@H](O)CC(C)(C)C)C(=O)[O-]	ZINC000910051053	613040075	/nfs/dbraw/zinc/04/00/75/613040075.db2.gz	RHLYNGTYMWJYCQ-NXEZZACHSA-N	-1	0	255.314	0.766	20	30		CCEDRM
C#CC[C@@H](NC(=O)[C@H]1CCO[C@H]1C(=C)C)C(=O)[O-]	ZINC000910049308	613041298	/nfs/dbraw/zinc/04/12/98/613041298.db2.gz	VLGNASSVSFEVFY-AXFHLTTASA-N	-1	0	251.282	0.560	20	30		CCEDRM
C#CC[C@@H](NC(=O)[C@H](O)Cc1ccccc1Cl)C(=O)[O-]	ZINC000910048108	613041359	/nfs/dbraw/zinc/04/13/59/613041359.db2.gz	DSASXWBMFXSLLS-VXGBXAGGSA-N	-1	0	295.722	0.836	20	30		CCEDRM
C#CC[C@@H](NC(=O)[C@]1(OC)CCSC1)C(=O)[O-]	ZINC000910049508	613041536	/nfs/dbraw/zinc/04/15/36/613041536.db2.gz	WFRIOAOAZPWUJG-KCJUWKMLSA-N	-1	0	257.311	0.101	20	30		CCEDRM
C#CC[C@@H](NC(=O)c1cn(C)nc1C(F)F)C(=O)[O-]	ZINC000910050236	613042212	/nfs/dbraw/zinc/04/22/12/613042212.db2.gz	HICVVLWJRNVDFU-SSDOTTSWSA-N	-1	0	271.223	0.564	20	30		CCEDRM
C#CC[C@@H](NC(=O)c1cn2c(n1)C[C@@H](C)CC2)C(=O)[O-]	ZINC000910048600	613042306	/nfs/dbraw/zinc/04/23/06/613042306.db2.gz	NIRZCOKRYLTCKM-VHSXEESVSA-N	-1	0	275.308	0.672	20	30		CCEDRM
C#CC[C@@H](NC(=O)c1csc(NCC)n1)C(=O)[O-]	ZINC000910051371	613042562	/nfs/dbraw/zinc/04/25/62/613042562.db2.gz	UBUXEBTYLWVIMP-SSDOTTSWSA-N	-1	0	267.310	0.781	20	30		CCEDRM
C#CC[C@@H](NC(=O)c1scc2c1OCCO2)C(=O)[O-]	ZINC000910046496	613042645	/nfs/dbraw/zinc/04/26/45/613042645.db2.gz	RDRZMLLXMIKGIF-SSDOTTSWSA-N	-1	0	281.289	0.726	20	30		CCEDRM
C#CC[C@@H](OC(=O)[C@H]1CN(C(=O)[O-])CCO1)C1CC1	ZINC000823440890	613043431	/nfs/dbraw/zinc/04/34/31/613043431.db2.gz	LYODVEQIVLVJEZ-GHMZBOCLSA-N	-1	0	267.281	0.710	20	30		CCEDRM
C#CCCS(=O)(=O)[N-]C(=O)[C@@H](C)OCC(C)C	ZINC000810784709	613052981	/nfs/dbraw/zinc/05/29/81/613052981.db2.gz	MRSFKKCSKRTKFA-SNVBAGLBSA-N	-1	0	261.343	0.517	20	30		CCEDRM
C#CCCS(=O)(=O)[N-]C(=O)CSC(C)(C)C	ZINC000810780431	613053027	/nfs/dbraw/zinc/05/30/27/613053027.db2.gz	CFGNFDNKKUSGQC-UHFFFAOYSA-N	-1	0	263.384	0.987	20	30		CCEDRM
C#CCCS(=O)(=O)[N-]C(=O)C[C@H](C)[C@H]1CCCO1	ZINC000851000586	613053051	/nfs/dbraw/zinc/05/30/51/613053051.db2.gz	XCTCEDJNSVZLBZ-WDEREUQCSA-N	-1	0	273.354	0.661	20	30		CCEDRM
C#CCCS(=O)(=O)[N-]C(=O)c1ccc(C)c(C)n1	ZINC000842347734	613053633	/nfs/dbraw/zinc/05/36/33/613053633.db2.gz	SMJUYUBIIYPODS-UHFFFAOYSA-N	-1	0	266.322	0.781	20	30		CCEDRM
C#CCCS(=O)(=O)[N-]C(=O)c1cnn(CC(C)C)c1	ZINC000791110980	613053863	/nfs/dbraw/zinc/05/38/63/613053863.db2.gz	JHWLTHUAFWSYKC-UHFFFAOYSA-N	-1	0	283.353	0.622	20	30		CCEDRM
C#CCCS(=O)(=O)[N-]C(=O)c1nccn2cc(C)nc12	ZINC000810782649	613053927	/nfs/dbraw/zinc/05/39/27/613053927.db2.gz	RDBDZYYPDARXSD-UHFFFAOYSA-N	-1	0	292.320	0.121	20	30		CCEDRM
C#CCCS(=O)(=O)[N-]C(=O)c1ncc(C)cc1OC	ZINC000810783523	613053930	/nfs/dbraw/zinc/05/39/30/613053930.db2.gz	UEALHKRPDSVQGK-UHFFFAOYSA-N	-1	0	282.321	0.482	20	30		CCEDRM
C#CC[C@H](NC(=O)C1(OCC)CCCC1)C(=O)[O-]	ZINC000910046010	613067406	/nfs/dbraw/zinc/06/74/06/613067406.db2.gz	JLJYFQYQAARRGA-JTQLQIEISA-N	-1	0	253.298	0.928	20	30		CCEDRM
C#CC[C@H](NC(=O)[C@@H]1CSCN1C(=O)CCC)C(=O)[O-]	ZINC000910055115	613069095	/nfs/dbraw/zinc/06/90/95/613069095.db2.gz	XQNKQXUIRGTWPZ-UWVGGRQHSA-N	-1	0	298.364	0.281	20	30		CCEDRM
C#CC[C@H](NC(=O)[C@H]1Cc2cccc(C)c2O1)C(=O)[O-]	ZINC000910050148	613069664	/nfs/dbraw/zinc/06/96/64/613069664.db2.gz	GHRCQWBLMDPKJT-NWDGAFQWSA-N	-1	0	273.288	0.891	20	30		CCEDRM
C#CC[C@H](NC(=O)[C@@]12CCO[C@@H]1CCCC2)C(=O)[O-]	ZINC000910052341	613069749	/nfs/dbraw/zinc/06/97/49/613069749.db2.gz	UPNVVKYHINITEA-WDMOLILDSA-N	-1	0	265.309	0.928	20	30		CCEDRM
C#CC[C@H](NC(=O)c1c[nH]nc1C(C)(C)C)C(=O)[O-]	ZINC000910048511	613069903	/nfs/dbraw/zinc/06/99/03/613069903.db2.gz	LCVVWXUBDLRNFN-VIFPVBQESA-N	-1	0	263.297	0.914	20	30		CCEDRM
C#CC[C@H](NC(=O)c1cc(OC(F)F)n(C)n1)C(=O)[O-]	ZINC000910049976	613070190	/nfs/dbraw/zinc/07/01/90/613070190.db2.gz	BGARYSDYEFYAHE-LURJTMIESA-N	-1	0	287.222	0.228	20	30		CCEDRM
C#CC[C@H](NC(=O)c1cnc(C2CC2)nc1)C(=O)[O-]	ZINC000910050827	613070372	/nfs/dbraw/zinc/07/03/72/613070372.db2.gz	OLKIVIQFDBYDBA-JTQLQIEISA-N	-1	0	259.265	0.560	20	30		CCEDRM
C#CCN(C(=O)c1c[n-]n2c1nccc2=O)C1CSC1	ZINC000912365185	613070496	/nfs/dbraw/zinc/07/04/96/613070496.db2.gz	FQRSPJGOAIEFME-UHFFFAOYSA-N	-1	0	288.332	0.213	20	30		CCEDRM
C#CC[C@H](NC(=O)c1cnc2n1[C@@H](C)CCC2)C(=O)[O-]	ZINC000910045402	613070655	/nfs/dbraw/zinc/07/06/55/613070655.db2.gz	CMKAGHHZJOPQGX-UWVGGRQHSA-N	-1	0	275.308	0.987	20	30		CCEDRM
C#C[C@@H](C)NC(=O)NCC1(C(=O)[O-])CCOCC1	ZINC000123861645	613081103	/nfs/dbraw/zinc/08/11/03/613081103.db2.gz	FTNHASIJNUWBSN-SECBINFHSA-N	-1	0	254.286	0.189	20	30		CCEDRM
C#C[C@@H](C)NS(=O)(=O)c1nc[nH]c1Br	ZINC000867199195	613082379	/nfs/dbraw/zinc/08/23/79/613082379.db2.gz	WQIPJYLLUVNOIR-RXMQYKEDSA-N	-1	0	278.131	0.472	20	30		CCEDRM
C#CCN(C1CC1)S(=O)(=O)c1ccc(O)c(C(=O)[O-])c1	ZINC000906931298	613097939	/nfs/dbraw/zinc/09/79/39/613097939.db2.gz	DSPFYRFKVCROAD-UHFFFAOYSA-N	-1	0	295.316	0.877	20	30		CCEDRM
C#CCN(CC#C)S(=O)(=O)c1cccc(F)c1C(=O)[O-]	ZINC000825608588	613099226	/nfs/dbraw/zinc/09/92/26/613099226.db2.gz	DPMRTJHQYZBFOC-UHFFFAOYSA-N	-1	0	295.291	0.781	20	30		CCEDRM
C#CCN(CC#C)S(=O)(=O)c1ccc(C)cc1C(=O)[O-]	ZINC000833364698	613099330	/nfs/dbraw/zinc/09/93/30/613099330.db2.gz	SGSZLDCJPWYBNO-UHFFFAOYSA-N	-1	0	291.328	0.950	20	30		CCEDRM
C#CCN(CC#CC)C(=O)[C@@H](CC(F)F)NC(=O)[O-]	ZINC000833787132	613099960	/nfs/dbraw/zinc/09/99/60/613099960.db2.gz	GURMUKZQNSPLAV-SECBINFHSA-N	-1	0	272.251	0.763	20	30		CCEDRM
C#CCN(CC(=O)[O-])S(=O)(=O)c1cccc(CC)c1	ZINC000849219135	613103589	/nfs/dbraw/zinc/10/35/89/613103589.db2.gz	JHFXWUKAPYTBCT-UHFFFAOYSA-N	-1	0	281.333	0.958	20	30		CCEDRM
C#CCN(CC(=O)[O-])S(=O)(=O)c1cnc(CC)s1	ZINC000849219452	613104002	/nfs/dbraw/zinc/10/40/02/613104002.db2.gz	WIJFGSWSKJCAPP-UHFFFAOYSA-N	-1	0	288.350	0.414	20	30		CCEDRM
C#C[C@@H]1CCCN(C(=O)c2ccc(-c3nn[nH]n3)cn2)C1	ZINC000898435762	613105528	/nfs/dbraw/zinc/10/55/28/613105528.db2.gz	FZTQIAKDGUAAHY-SNVBAGLBSA-N	-1	0	282.307	0.747	20	30		CCEDRM
C#CCN1CC(N(CC)C(=O)c2n[nH]c(C)c2[O-])C1	ZINC000949901460	613114283	/nfs/dbraw/zinc/11/42/83/613114283.db2.gz	WRKBQDDGAUFOPK-UHFFFAOYSA-N	-1	0	262.313	0.203	20	30		CCEDRM
C#C[C@H](CC)NC(=O)N1CCC[C@@H](c2n[nH]c(=O)[n-]2)C1	ZINC000922525102	613119920	/nfs/dbraw/zinc/11/99/20/613119920.db2.gz	JIVOHHHOIAQHLJ-NXEZZACHSA-N	-1	0	277.328	0.811	20	30		CCEDRM
C#C[C@H](CC)[N-]S(=O)(=O)c1occc1C(=O)OC	ZINC000867198798	613122031	/nfs/dbraw/zinc/12/20/31/613122031.db2.gz	RFQJHJSYZWLOLA-MRVPVSSYSA-N	-1	0	271.294	0.756	20	30		CCEDRM
C#C[C@H](NC(=O)NC[C@@H](C(=O)[O-])C(C)C)[C@@H]1CCCO1	ZINC000848583294	613140090	/nfs/dbraw/zinc/14/00/90/613140090.db2.gz	WLURTWVYTQEQEB-WOPDTQHZSA-N	-1	0	282.340	0.823	20	30		CCEDRM
C#C[C@H](NC(=O)c1cccc(C(=O)[O-])n1)[C@H]1CCCO1	ZINC000911581224	613149254	/nfs/dbraw/zinc/14/92/54/613149254.db2.gz	WPCACBZTTYHWFJ-JOYOIKCWSA-N	-1	0	274.276	0.690	20	30		CCEDRM
C#C[C@H](NC(=O)c1[nH]nc(C)c1[O-])C1CCOCC1	ZINC000856107633	613150029	/nfs/dbraw/zinc/15/00/29/613150029.db2.gz	REJMLPABYZUCTC-JTQLQIEISA-N	-1	0	263.297	0.582	20	30		CCEDRM
C#C[C@H]1COCCN1C(=O)NC[C@H](C(=O)[O-])C1CCC1	ZINC000854234660	613160922	/nfs/dbraw/zinc/16/09/22/613160922.db2.gz	HEVNNDKNIXNSMU-RYUDHWBXSA-N	-1	0	280.324	0.531	20	30		CCEDRM
C#Cc1ccc(C(=O)N[C@](C)(COC)C(=O)[O-])cn1	ZINC000825636052	613192794	/nfs/dbraw/zinc/19/27/94/613192794.db2.gz	AMKLFSFQODAKGB-CYBMUJFWSA-N	-1	0	262.265	0.282	20	30		CCEDRM
C#CCN1CCN(C(=O)C[C@@H]2CCCN2C(=O)[O-])CC1	ZINC000823451491	613205784	/nfs/dbraw/zinc/20/57/84/613205784.db2.gz	WWZVAKQHJJOZCF-LBPRGKRZSA-N	-1	0	279.340	0.296	20	30		CCEDRM
C#Cc1cncc(C(=O)N2CCC[C@]2(COC)C(=O)[O-])c1	ZINC000909937943	613213310	/nfs/dbraw/zinc/21/33/10/613213310.db2.gz	NJSZWQGIZJBLJW-HNNXBMFYSA-N	-1	0	288.303	0.769	20	30		CCEDRM
C=C(C)COCCNC(=O)N1CCN(C(=O)[O-])C[C@H]1C	ZINC000823480481	613351912	/nfs/dbraw/zinc/35/19/12/613351912.db2.gz	DOMSQSWFYMIPSG-LLVKDONJSA-N	-1	0	285.344	0.973	20	30		CCEDRM
C=C(C)CO[N-]C(=O)Cn1c(C)cc(O)cc1=O	ZINC000846538465	613352580	/nfs/dbraw/zinc/35/25/80/613352580.db2.gz	XFSZEROMIBTFJF-UHFFFAOYSA-N	-1	0	252.270	0.486	20	30		CCEDRM
C=C(C)C[C@@H](NC(=O)NC[C@]1(OC)CCOC1)C(=O)[O-]	ZINC000909190383	613355852	/nfs/dbraw/zinc/35/58/52/613355852.db2.gz	ODAQDOQOCPIFQS-ZWNOBZJWSA-N	-1	0	286.328	0.511	20	30		CCEDRM
C=C(C)C[C@H](NC(=O)N[C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@H]12)C(=O)[O-]	ZINC000900298347	613358749	/nfs/dbraw/zinc/35/87/49/613358749.db2.gz	TVXMXFUSCYSRKS-NAFSEIKSSA-N	-1	0	280.324	0.881	20	30		CCEDRM
C=C(C)C[C@H](NC(=O)N[C@@H]1COC[C@@H]1C)C(=O)[O-]	ZINC000905607305	613358756	/nfs/dbraw/zinc/35/87/56/613358756.db2.gz	KEQPDEXHFOUGSD-LPEHRKFASA-N	-1	0	256.302	0.740	20	30		CCEDRM
C=C(C)C[C@H](NC(=O)[C@H]1OCCO[C@H]1C)C(=O)[O-]	ZINC000910293709	613359035	/nfs/dbraw/zinc/35/90/35/613359035.db2.gz	KWGARIJPKQSTPY-GUBZILKMSA-N	-1	0	257.286	0.326	20	30		CCEDRM
C=C(C)[C@@H](CC(=O)NC[C@@](C)(O)C(=O)[O-])OCC	ZINC000911474747	613360157	/nfs/dbraw/zinc/36/01/57/613360157.db2.gz	YSPZDGSZQDJSHS-BXKDBHETSA-N	-1	0	259.302	0.310	20	30		CCEDRM
C=C(C)[C@@H](CC(=O)N1CC[C@](O)(C(=O)[O-])C1)OCC	ZINC000910524412	613360199	/nfs/dbraw/zinc/36/01/99/613360199.db2.gz	BQONTIWUVGJRPT-ZWNOBZJWSA-N	-1	0	271.313	0.406	20	30		CCEDRM
C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)NCC(=O)[N-]OCC	ZINC000845536350	613361889	/nfs/dbraw/zinc/36/18/89/613361889.db2.gz	VVRFJGRRRYFKFU-PWSUYJOCSA-N	-1	0	285.344	0.335	20	30		CCEDRM
C=C(C)[C@H](CC(=O)N1CCNC(=O)[C@@H]1CC(=O)[O-])OCC	ZINC000833366771	613362232	/nfs/dbraw/zinc/36/22/32/613362232.db2.gz	CVIGUWAAFPJOFR-QWRGUYRKSA-N	-1	0	298.339	0.159	20	30		CCEDRM
C=C(Cl)CNC(=O)N1CC[N@@H+](CCC(=O)[O-])C[C@H]1C	ZINC000833370163	613383645	/nfs/dbraw/zinc/38/36/45/613383645.db2.gz	LLEPXPZVTVJVDJ-SNVBAGLBSA-N	-1	0	289.763	0.929	20	30		CCEDRM
C=C(Cl)C[C@@H](NC(=O)Cc1cn(CC)nn1)C(=O)[O-]	ZINC000907745163	613388528	/nfs/dbraw/zinc/38/85/28/613388528.db2.gz	XZTBTYGJMBZJJW-SECBINFHSA-N	-1	0	286.719	0.553	20	30		CCEDRM
C=C(Cl)C[C@@H](NC(=O)[C@@H](C)S(C)(=O)=O)C(=O)[O-]	ZINC000864184256	613388577	/nfs/dbraw/zinc/38/85/77/613388577.db2.gz	LQCYHLIFSQTPCV-RNFRBKRXSA-N	-1	0	283.733	0.132	20	30		CCEDRM
C=C(Cl)C[C@@H](NS(=O)(=O)C[C@@H]1CCCO1)C(=O)[O-]	ZINC000863422047	613388728	/nfs/dbraw/zinc/38/87/28/613388728.db2.gz	ZFCYMDVYMLICRP-DTWKUNHWSA-N	-1	0	297.760	0.681	20	30		CCEDRM
C=C(Cl)C[C@H](NC(=O)c1ccc(OC)nn1)C(=O)[O-]	ZINC000864185514	613390770	/nfs/dbraw/zinc/39/07/70/613390770.db2.gz	ZLYAMQBBRXUDGT-QMMMGPOBSA-N	-1	0	285.687	0.811	20	30		CCEDRM
C=C(Cl)C[C@H](NC(=O)c1ccc(=O)n(C)c1)C(=O)[O-]	ZINC000864184915	613390836	/nfs/dbraw/zinc/39/08/36/613390836.db2.gz	YZFOYYKZUSCFDS-VIFPVBQESA-N	-1	0	284.699	0.711	20	30		CCEDRM
C=CCS(=O)(=O)[N-]C(=O)c1cnn(CCOCC)c1	ZINC000857013968	613394937	/nfs/dbraw/zinc/39/49/37/613394937.db2.gz	HEPWFGRXYATRCZ-UHFFFAOYSA-N	-1	0	287.341	0.165	20	30		CCEDRM
C=CCSCCNC(=O)COC1CN(C(=O)[O-])C1	ZINC000823516263	613395346	/nfs/dbraw/zinc/39/53/46/613395346.db2.gz	DKCNJFVPFRYMIK-UHFFFAOYSA-N	-1	0	274.342	0.401	20	30		CCEDRM
C=CC[C@@H](NC(=O)COCC(=O)[O-])c1ccncc1	ZINC000844250531	613405680	/nfs/dbraw/zinc/40/56/80/613405680.db2.gz	LVJFQKCWWLEMBH-LLVKDONJSA-N	-1	0	264.281	0.916	20	30		CCEDRM
C=CC[C@H](C(=O)OC)N1CCC[C@@H](c2n[nH]c(=O)[n-]2)C1	ZINC000878622182	613410344	/nfs/dbraw/zinc/41/03/44/613410344.db2.gz	LXDRIIPUBNMTMA-NXEZZACHSA-N	-1	0	280.328	0.807	20	30		CCEDRM
C=CC[C@H](CO)CNC(=O)[C@@H](NC(=O)[O-])C(C)C	ZINC000833371799	613415491	/nfs/dbraw/zinc/41/54/91/613415491.db2.gz	WOZHEHNXPHEGSR-UWVGGRQHSA-N	-1	0	258.318	0.579	20	30		CCEDRM
C=CC[C@H](CO)CNS(=O)(=O)N=[S@](C)(=O)CC	ZINC000867057203	613416335	/nfs/dbraw/zinc/41/63/35/613416335.db2.gz	JJTGXUITIZIDJO-XXFAHNHDSA-N	-1	0	284.403	0.123	20	30		CCEDRM
C=CC[C@H](NC(=O)C(=O)[N-]OCCOC)c1ccncc1	ZINC000805806882	613418707	/nfs/dbraw/zinc/41/87/07/613418707.db2.gz	WOEWXXPYOFAYQO-LBPRGKRZSA-N	-1	0	293.323	0.509	20	30		CCEDRM
C=CCn1cc(C(=O)N[C@@H](CC(=O)[O-])C2CC2)nn1	ZINC000844156336	613430135	/nfs/dbraw/zinc/43/01/35/613430135.db2.gz	MKKULEZAEOWWDZ-VIFPVBQESA-N	-1	0	264.285	0.447	20	30		CCEDRM
C=CCn1nnn(CN2CC[C@@H](N(C)C(=O)[O-])C2)c1=S	ZINC000823521540	613439328	/nfs/dbraw/zinc/43/93/28/613439328.db2.gz	FHYBKFQBFZFKOM-SECBINFHSA-N	-1	0	298.372	0.637	20	30		CCEDRM
C=CC(C)(C)CC(=O)N(CCN1CCOCC1)CC(=O)[O-]	ZINC000911365401	613444889	/nfs/dbraw/zinc/44/48/89/613444889.db2.gz	PVTVLMBHRYDGOD-UHFFFAOYSA-N	-1	0	298.383	0.834	20	30		CCEDRM
C=C[C@@H](C)O[N-]C(=O)[C@H](NS(C)(=O)=O)C(C)C	ZINC000846549719	613447179	/nfs/dbraw/zinc/44/71/79/613447179.db2.gz	KYABCIKIAFROGS-RKDXNWHRSA-N	-1	0	264.347	0.183	20	30		CCEDRM
C=C[C@@H](C)O[N-]C(=O)c1[nH]c(=O)[nH]c(=O)c1OC	ZINC000846556176	613447517	/nfs/dbraw/zinc/44/75/17/613447517.db2.gz	YVSUSIJFVUOYMI-RXMQYKEDSA-N	-1	0	255.230	0.132	20	30		CCEDRM
C=C[C@@H](CC)CC(=O)NCCn1cc(C(=O)[O-])nn1	ZINC000907675624	613448624	/nfs/dbraw/zinc/44/86/24/613448624.db2.gz	IDRONUUGXMXEGX-VIFPVBQESA-N	-1	0	266.301	0.695	20	30		CCEDRM
C=C[C@@H](O)C(=O)N(CCC(=O)[O-])C[C@H]1CCCO1	ZINC000908985410	613449487	/nfs/dbraw/zinc/44/94/87/613449487.db2.gz	XRMCTBTWCUJICU-NXEZZACHSA-N	-1	0	257.286	0.016	20	30		CCEDRM
C=CC1(S(=O)(=O)[N-]C(=O)/C=C\[C@@H]2CCCO2)CC1	ZINC000870838838	613449763	/nfs/dbraw/zinc/44/97/63/613449763.db2.gz	OFALEYBTFZNJPA-OMMCCPJFSA-N	-1	0	271.338	0.886	20	30		CCEDRM
C=CC1(S(=O)(=O)[N-]C(=O)CC2(C#N)CC2)CC1	ZINC000870837845	613450387	/nfs/dbraw/zinc/45/03/87/613450387.db2.gz	DRVZMXMTWXQWAO-UHFFFAOYSA-N	-1	0	254.311	0.845	20	30		CCEDRM
C=CC1(S(=O)(=O)[N-]C(=O)[C@](C)(OC)C2CC2)CC1	ZINC000870837818	613451930	/nfs/dbraw/zinc/45/19/30/613451930.db2.gz	CVAPPHJZABRNPP-LLVKDONJSA-N	-1	0	273.354	0.966	20	30		CCEDRM
C=CCC(CC=C)C(=O)[N-]S(=O)(=O)c1cn(C)cn1	ZINC000838991232	613453296	/nfs/dbraw/zinc/45/32/96/613453296.db2.gz	LZAONCLGHPQUKD-UHFFFAOYSA-N	-1	0	283.353	0.993	20	30		CCEDRM
C=CCC1(C(=O)NCC(=O)[N-]OCC)CCOCC1	ZINC000846490453	613456647	/nfs/dbraw/zinc/45/66/47/613456647.db2.gz	DXWFAGZYYDIQOI-UHFFFAOYSA-N	-1	0	270.329	0.543	20	30		CCEDRM
C=CCC1(S(=O)(=O)[N-]C(=O)CCc2cnccn2)CC1	ZINC000810986444	613460749	/nfs/dbraw/zinc/46/07/49/613460749.db2.gz	ZTWHVPKJTMYSCT-UHFFFAOYSA-N	-1	0	295.364	0.964	20	30		CCEDRM
C=CCC1(S(=O)(=O)[N-]C(=O)CCc2cn(C)nn2)CC1	ZINC000851031643	613460806	/nfs/dbraw/zinc/46/08/06/613460806.db2.gz	GKFPYXDCVPGEAL-UHFFFAOYSA-N	-1	0	298.368	0.302	20	30		CCEDRM
C=CCC1(S(=O)(=O)[N-]C(=O)/C=C\c2cnn(C)c2)CC1	ZINC000810987007	613460840	/nfs/dbraw/zinc/46/08/40/613460840.db2.gz	VFEWYHGVWYWXGZ-PLNGDYQASA-N	-1	0	295.364	0.988	20	30		CCEDRM
C=CCC1(S(=O)(=O)[N-]C(=O)c2cc(C)n(C)n2)CC1	ZINC000810988373	613461405	/nfs/dbraw/zinc/46/14/05/613461405.db2.gz	IAEXYBLJCDDKHA-UHFFFAOYSA-N	-1	0	283.353	0.897	20	30		CCEDRM
C=CCCC[C@@H](C)NC(=O)C(=O)[N-]OCCOC	ZINC000806622733	613470219	/nfs/dbraw/zinc/47/02/19/613470219.db2.gz	UDBOUGPHZIUFME-SNVBAGLBSA-N	-1	0	258.318	0.542	20	30		CCEDRM
C=C[C@@H]1OCC[C@H]1NC(=O)N[C@H]1C[C@@H](C(=O)[O-])C1	ZINC000874402755	613471181	/nfs/dbraw/zinc/47/11/81/613471181.db2.gz	DDSWZJCTTBGMKY-RGOKHQFPSA-N	-1	0	254.286	0.492	20	30		CCEDRM
C=CCCC[C@@H](NC(=O)c1ccn(C)n1)C(=O)[O-]	ZINC000910916506	613471446	/nfs/dbraw/zinc/47/14/46/613471446.db2.gz	WWRMLALDGADKKX-SNVBAGLBSA-N	-1	0	251.286	0.959	20	30		CCEDRM
C=C[C@@](C)(O)C(=O)N1CC[C@@](C(=O)[O-])(C(C)C)C1	ZINC000909699354	613477995	/nfs/dbraw/zinc/47/79/95/613477995.db2.gz	GJOTWPPIGYYDBT-OLZOCXBDSA-N	-1	0	255.314	0.883	20	30		CCEDRM
C=C[C@H](C)O[N-]C(=O)CN1CCCCC(=O)C1=O	ZINC000869154219	613484229	/nfs/dbraw/zinc/48/42/29/613484229.db2.gz	OPKGLBWSTGVDAV-VIFPVBQESA-N	-1	0	254.286	0.190	20	30		CCEDRM
C=C[C@H](C)O[N-]C(=O)C(=O)Nc1cnn(C(F)F)c1	ZINC000846155146	613483785	/nfs/dbraw/zinc/48/37/85/613483785.db2.gz	VDUGAKMFYFEWIL-LURJTMIESA-N	-1	0	274.227	0.839	20	30		CCEDRM
C=C[C@H](C)O[N-]C(=O)[C@@H](C)n1cnc2c1ncnc2N	ZINC000855026829	613487783	/nfs/dbraw/zinc/48/77/83/613487783.db2.gz	QECHRSPHICZIAB-JGVFFNPUSA-N	-1	0	276.300	0.592	20	30		CCEDRM
C=C[C@H](C)O[N-]C(=O)[C@@H]1CC(c2cn(C)nc2C)=NO1	ZINC000824033610	613488193	/nfs/dbraw/zinc/48/81/93/613488193.db2.gz	PULODNUCGBIDCU-UFBFGSQYSA-N	-1	0	278.312	0.844	20	30		CCEDRM
C=C[C@H](CC)CC(=O)N1CCO[C@H](c2nnn[n-]2)C1	ZINC000932281855	613488994	/nfs/dbraw/zinc/48/89/94/613488994.db2.gz	CRMCSMFKXXTNNF-ZJUUUORDSA-N	-1	0	265.317	0.702	20	30		CCEDRM
C=C[C@H](CCC(=O)[O-])NS(=O)(=O)[C@@H]1CCOC1	ZINC000871741764	613489854	/nfs/dbraw/zinc/48/98/54/613489854.db2.gz	DJKZUDKHOIPAAS-RKDXNWHRSA-N	-1	0	263.315	0.114	20	30		CCEDRM
C=C[C@H](O)C(=O)N1CCc2occc2[C@@H]1C(=O)[O-]	ZINC000910203749	613494838	/nfs/dbraw/zinc/49/48/38/613494838.db2.gz	AAESCQNKRGBWID-WCBMZHEXSA-N	-1	0	251.238	0.337	20	30		CCEDRM
C=C[C@](C)(O)C(=O)NC[C@H](C(=O)[O-])c1ccccc1	ZINC000909294392	613507810	/nfs/dbraw/zinc/50/78/10/613507810.db2.gz	OZELJWFDGRDYOR-FZMZJTMJSA-N	-1	0	263.293	0.908	20	30		CCEDRM
C=CCCOCC(=O)N1CCC([C@@H](O)C(=O)[O-])CC1	ZINC000833374066	613570818	/nfs/dbraw/zinc/57/08/18/613570818.db2.gz	QEOAXOUCXJPKNN-GFCCVEGCSA-N	-1	0	271.313	0.263	20	30		CCEDRM
C=CCCOCC(=O)[N-]S(=O)(=O)C1(CC)CC1	ZINC000835530890	613572784	/nfs/dbraw/zinc/57/27/84/613572784.db2.gz	NYSZEVILYSBPMJ-UHFFFAOYSA-N	-1	0	261.343	0.968	20	30		CCEDRM
C=CCCOCC(=O)N[C@@H]1CCCCN(CC(=O)[O-])C1=O	ZINC000902438821	613572918	/nfs/dbraw/zinc/57/29/18/613572918.db2.gz	YRLLAOZEBRHFJY-LLVKDONJSA-N	-1	0	298.339	0.161	20	30		CCEDRM
C=CCCOCC(=O)[N-]S(=O)(=O)c1cnn(C)c1C	ZINC000813952818	613572987	/nfs/dbraw/zinc/57/29/87/613572987.db2.gz	OEJCGZXLLGPHNW-UHFFFAOYSA-N	-1	0	287.341	0.126	20	30		CCEDRM
C=CCCO[N-]C(=O)[C@H]1C[C@@H](O)CN1c1ccncn1	ZINC000824660344	613577207	/nfs/dbraw/zinc/57/72/07/613577207.db2.gz	TUMXVWIXKOKMSY-GHMZBOCLSA-N	-1	0	278.312	0.040	20	30		CCEDRM
C=CCCO[C@H](C)C(=O)N1CC[C@@](O)(C(=O)[O-])C1	ZINC000910531198	613579045	/nfs/dbraw/zinc/57/90/45/613579045.db2.gz	QSISPDWYTFFWCU-SKDRFNHKSA-N	-1	0	257.286	0.016	20	30		CCEDRM
C=CCC[C@@H](NC(=O)c1cnn2c1OCCC2)C(=O)[O-]	ZINC000909711744	613585574	/nfs/dbraw/zinc/58/55/74/613585574.db2.gz	FPTYLOHLHQXYGH-SNVBAGLBSA-N	-1	0	279.296	0.815	20	30		CCEDRM
C=CCC[C@H](NC(=O)C1C[C@@H]2COC[C@H](C1)C2=O)C(=O)[O-]	ZINC000909712333	613589459	/nfs/dbraw/zinc/58/94/59/613589459.db2.gz	ITYIWYMVGWWVRJ-YATPEIPISA-N	-1	0	295.335	0.764	20	30		CCEDRM
C=CCC[C@H](NC(=O)[C@@H]1C[C@@]12CCOC2)C(=O)[O-]	ZINC000909715589	613589823	/nfs/dbraw/zinc/58/98/23/613589823.db2.gz	NAXIZYNPAMUPOF-OUJBWJOFSA-N	-1	0	253.298	0.949	20	30		CCEDRM
C=CCC[C@H](NC(=O)c1cn2c(n1)COCC2)C(=O)[O-]	ZINC000909714656	613590469	/nfs/dbraw/zinc/59/04/69/613590469.db2.gz	ZBLVEXGTFMXBGA-VIFPVBQESA-N	-1	0	279.296	0.563	20	30		CCEDRM
CC(=O)N1CSC[C@H]1C(=O)[N-]Oc1cccc(C#N)c1	ZINC000870693010	613594770	/nfs/dbraw/zinc/59/47/70/613594770.db2.gz	VJQXFXMFAYESNO-LBPRGKRZSA-N	-1	0	291.332	0.890	20	30		CCEDRM
C=CCCn1cc(C(=O)[N-]S(=O)(=O)CC2CC2)nn1	ZINC000820062324	613594900	/nfs/dbraw/zinc/59/49/00/613594900.db2.gz	AXKXGYAUYZIUTA-UHFFFAOYSA-N	-1	0	284.341	0.324	20	30		CCEDRM
C=CCN(C(=O)[C@H](C)CC(=O)[O-])[C@@H]1CCS(=O)(=O)C1	ZINC000825676054	613606940	/nfs/dbraw/zinc/60/69/40/613606940.db2.gz	QHTXNTQMTDXLME-NXEZZACHSA-N	-1	0	289.353	0.299	20	30		CCEDRM
C=CCN(CC(=O)[O-])C(=O)[C@H]1CCn2ccnc2C1	ZINC000909514219	613643639	/nfs/dbraw/zinc/64/36/39/613643639.db2.gz	DGFNCTNFGAPLEP-JTQLQIEISA-N	-1	0	263.297	0.545	20	30		CCEDRM
C=CCN(CC(=O)[O-])C(=O)c1cn(C2CC2)nn1	ZINC000864135464	613643802	/nfs/dbraw/zinc/64/38/02/613643802.db2.gz	NBAXFQOYYOXVJI-UHFFFAOYSA-N	-1	0	250.258	0.326	20	30		CCEDRM
CC#CCS(=O)(=O)[N-]C(=O)COCc1ccccc1	ZINC000810773646	613645901	/nfs/dbraw/zinc/64/59/01/613645901.db2.gz	JZWSTMUZAWPSTH-UHFFFAOYSA-N	-1	0	281.333	0.673	20	30		CCEDRM
CC#CCS(=O)(=O)[N-]C(=O)COc1ccc(OC)cc1	ZINC000810778724	613645935	/nfs/dbraw/zinc/64/59/35/613645935.db2.gz	KHZZYCWRNWFXHK-UHFFFAOYSA-N	-1	0	297.332	0.543	20	30		CCEDRM
CC#CCS(=O)(=O)[N-]C(=O)[C@@H]1CCc2ncncc2C1	ZINC000842779706	613646634	/nfs/dbraw/zinc/64/66/34/613646634.db2.gz	HDNUNPISRNFMNK-SNVBAGLBSA-N	-1	0	293.348	0.051	20	30		CCEDRM
CC#CCS(=O)(=O)[N-]C(=O)[C@@H]1CCC(=O)[C@H](C)C1	ZINC000810771213	613646699	/nfs/dbraw/zinc/64/66/99/613646699.db2.gz	ICDPRAWGJNHJDX-NXEZZACHSA-N	-1	0	271.338	0.461	20	30		CCEDRM
CC#CCS(=O)(=O)[N-]C(=O)[C@H]1[C@@H](C)[C@H](C)O[C@H]1C	ZINC000860721039	613646833	/nfs/dbraw/zinc/64/68/33/613646833.db2.gz	VWVHDHHDMYBERZ-NAKRPEOUSA-N	-1	0	273.354	0.515	20	30		CCEDRM
CC#CCS(=O)(=O)[N-]C(=O)[C@H]1CCc2ccccc2O1	ZINC000842345131	613647070	/nfs/dbraw/zinc/64/70/70/613647070.db2.gz	BYWLBFNBMQYAQI-CYBMUJFWSA-N	-1	0	293.344	0.850	20	30		CCEDRM
C=CCN1C(=O)N[C@]2(CCCC[C@@H]2CNC(=O)[O-])C1=O	ZINC000823506033	613652242	/nfs/dbraw/zinc/65/22/42/613652242.db2.gz	BBCAGBWSTCSLQU-RNCFNFMXSA-N	-1	0	281.312	0.921	20	30		CCEDRM
CC(=NNCC(=O)[O-])c1ccc(S(=O)(=O)N(C)C)cc1	ZINC000814960469	613654498	/nfs/dbraw/zinc/65/44/98/613654498.db2.gz	MPXXYLJYVOOMBW-UHFFFAOYSA-N	-1	0	299.352	0.335	20	30		CCEDRM
CC(=O)NCCN(Cc1ccc(C#N)o1)[C@H](C)C(=O)[O-]	ZINC000819770596	613737390	/nfs/dbraw/zinc/73/73/90/613737390.db2.gz	ZEHVPXURNMGFHR-SECBINFHSA-N	-1	0	279.296	0.562	20	30		CCEDRM
C=CCNC(=O)NC[C@H]1[C@H](C)OC(C)(C)N1C(=O)[O-]	ZINC000823511228	613852470	/nfs/dbraw/zinc/85/24/70/613852470.db2.gz	RJPJPBOCJFQMKJ-IUCAKERBSA-N	-1	0	271.317	0.975	20	30		CCEDRM
C=CCNC(=O)C(C#N)=C([O-])c1cn(-c2ccccc2)nn1	ZINC000916921117	613852950	/nfs/dbraw/zinc/85/29/50/613852950.db2.gz	LBIICBHKHURKNW-LBPRGKRZSA-N	-1	0	295.302	0.892	20	30		CCEDRM
C=CCNC(=O)C(C#N)=C([O-])c1nccnc1SC	ZINC000892488938	613852963	/nfs/dbraw/zinc/85/29/63/613852963.db2.gz	AVTFEWSDNXWGKD-QMMMGPOBSA-N	-1	0	276.321	0.823	20	30		CCEDRM
C=CCNC(=O)[C@@H](C)OC(=O)[C@@H](CC(C)C)NC(=O)[O-]	ZINC000825687139	613853749	/nfs/dbraw/zinc/85/37/49/613853749.db2.gz	CKLIFRHCULCFBJ-NXEZZACHSA-N	-1	0	286.328	0.903	20	30		CCEDRM
C=CCNC(=O)C(C#N)=C([O-])c1cn(-c2ccccc2)nn1	ZINC000916921115	613854990	/nfs/dbraw/zinc/85/49/90/613854990.db2.gz	LBIICBHKHURKNW-GFCCVEGCSA-N	-1	0	295.302	0.892	20	30		CCEDRM
C=CCNC(=O)C(C#N)=C([O-])c1ccc(C(N)=O)cc1	ZINC000916917333	613854992	/nfs/dbraw/zinc/85/49/92/613854992.db2.gz	ISEDHACLXYMYIA-LLVKDONJSA-N	-1	0	271.276	0.410	20	30		CCEDRM
C=CCOCC(=O)N1CC[C@H](OC)C[C@H]1C(=O)[O-]	ZINC000833375963	613879175	/nfs/dbraw/zinc/87/91/75/613879175.db2.gz	PMHUDTRSVFLMFM-UWVGGRQHSA-N	-1	0	257.286	0.280	20	30		CCEDRM
C=CCOCC(=O)N1CC2(CCC2)[C@](F)(C(=O)[O-])C1	ZINC000909938088	613879117	/nfs/dbraw/zinc/87/91/17/613879117.db2.gz	QTWFPEVQOPNXBT-CYBMUJFWSA-N	-1	0	271.288	0.994	20	30		CCEDRM
C=CCOCC(=O)NC[C@H](Oc1ccc(F)cc1)C(=O)[O-]	ZINC000833376152	613879408	/nfs/dbraw/zinc/87/94/08/613879408.db2.gz	VBINHMGBAZWVCH-LBPRGKRZSA-N	-1	0	297.282	0.977	20	30		CCEDRM
C=CCOCCCC(=O)NCCn1cnc(C(=O)[O-])c1	ZINC000909912678	613879808	/nfs/dbraw/zinc/87/98/08/613879808.db2.gz	NPCUGOUAJNAREM-UHFFFAOYSA-N	-1	0	281.312	0.680	20	30		CCEDRM
C=CCOC[C@@H](NC(=O)CC(C)(C)OC)C(=O)[O-]	ZINC000909771041	613881596	/nfs/dbraw/zinc/88/15/96/613881596.db2.gz	LAGSOZLKNAWUTJ-SECBINFHSA-N	-1	0	259.302	0.574	20	30		CCEDRM
C=CCOC[C@@H](NC(=O)[C@H]1CCO[C@H]1C(=C)C)C(=O)[O-]	ZINC000909768217	613881860	/nfs/dbraw/zinc/88/18/60/613881860.db2.gz	UDADDNCMXGAJSK-TUAOUCFPSA-N	-1	0	283.324	0.740	20	30		CCEDRM
C=CCOC[C@H](NC(=O)CCn1nc(C)cc1C)C(=O)[O-]	ZINC000909772240	613882324	/nfs/dbraw/zinc/88/23/24/613882324.db2.gz	WFYYZRNQXKVXRM-LBPRGKRZSA-N	-1	0	295.339	0.662	20	30		CCEDRM
C=CCO[N-]C(=O)CNc1ccc(S(C)(=O)=O)cc1	ZINC000823420978	613883110	/nfs/dbraw/zinc/88/31/10/613883110.db2.gz	HNHONDGGPJXGBP-UHFFFAOYSA-N	-1	0	284.337	0.736	20	30		CCEDRM
C=CCO[N-]C(=O)[C@@H]1CC(C(=O)OC(C)(C)C)=NO1	ZINC000837049371	613884350	/nfs/dbraw/zinc/88/43/50/613884350.db2.gz	GJAATRKWUQFYQE-VIFPVBQESA-N	-1	0	270.285	0.707	20	30		CCEDRM
C=CCO[N-]C(=O)[C@@H]1COCCN1C1CCCC1	ZINC000837048186	613884384	/nfs/dbraw/zinc/88/43/84/613884384.db2.gz	MIMMZLRJDDMKHA-LBPRGKRZSA-N	-1	0	254.330	0.864	20	30		CCEDRM
C=CCS(=O)(=O)[N-]C(=O)Cc1ccn(CC)n1	ZINC000845498487	613886134	/nfs/dbraw/zinc/88/61/34/613886134.db2.gz	FVHAJGHPTVXYCC-UHFFFAOYSA-N	-1	0	257.315	0.078	20	30		CCEDRM
C=CCS(=O)(=O)[N-]C(=O)C[C@H](C)n1ccc(C)n1	ZINC000850913914	613886151	/nfs/dbraw/zinc/88/61/51/613886151.db2.gz	XBYIXVDTSDWWJP-JTQLQIEISA-N	-1	0	271.342	0.775	20	30		CCEDRM
C=CCS(=O)(=O)[N-]C(=O)c1cnc(CC)s1	ZINC000132786421	613886303	/nfs/dbraw/zinc/88/63/03/613886303.db2.gz	FFPJTXUNTACIFZ-UHFFFAOYSA-N	-1	0	260.340	0.951	20	30		CCEDRM
CC(C)NC(=O)C(C#N)=C([O-])c1cn(C2CC2)nn1	ZINC000860472186	613930451	/nfs/dbraw/zinc/93/04/51/613930451.db2.gz	DURMQSMPBMKYGJ-VIFPVBQESA-N	-1	0	261.285	0.460	20	30		CCEDRM
CC(C)NC(=O)C(C#N)=C([O-])c1cnn(CCF)c1	ZINC000808979850	613934302	/nfs/dbraw/zinc/93/43/02/613934302.db2.gz	NUSFHOQEJJUZEA-SNVBAGLBSA-N	-1	0	266.276	0.700	20	30		CCEDRM
CC(C)[C@@H](C)NC(=O)COC(=O)[C@@](C)(C#N)CC(=O)[O-]	ZINC000819954931	614091189	/nfs/dbraw/zinc/09/11/89/614091189.db2.gz	DHVIRLFZJMQIQU-NOZJJQNGSA-N	-1	0	284.312	0.695	20	30		CCEDRM
CC(C)(CNC(=O)[O-])C(=O)N1CCN(C2CC2)[C@H](C#N)C1	ZINC000823952249	614102602	/nfs/dbraw/zinc/10/26/02/614102602.db2.gz	NBOWYOKAWWMDSK-LLVKDONJSA-N	-1	0	294.355	0.479	20	30		CCEDRM
CC(C)COCCC(=O)[N-]S(=O)(=O)CC1(C#N)CC1	ZINC000793201260	614162815	/nfs/dbraw/zinc/16/28/15/614162815.db2.gz	JZSMCXSBCAAYMB-UHFFFAOYSA-N	-1	0	288.369	0.799	20	30		CCEDRM
CC(C)CS(=O)(=O)C=C([O-])n1ncc(C#N)c1N	ZINC000124101815	614176095	/nfs/dbraw/zinc/17/60/95/614176095.db2.gz	ZYQNWFRRKXLGHC-UHFFFAOYSA-N	-1	0	270.314	0.048	20	30		CCEDRM
CC(C)[C@@](C)(C#N)NC(=O)CN(C)[C@@H](C)C(=O)[O-]	ZINC000817771978	614180366	/nfs/dbraw/zinc/18/03/66/614180366.db2.gz	APWXAXYEWORKNN-JOYOIKCWSA-N	-1	0	255.318	0.446	20	30		CCEDRM
CC(C)C[C@@H](CO)NC(=O)[C@](C)(C#N)CC(=O)[O-]	ZINC000819967325	614192156	/nfs/dbraw/zinc/19/21/56/614192156.db2.gz	ROAVSCMORMNPPA-CABZTGNLSA-N	-1	0	256.302	0.514	20	30		CCEDRM
CC(C)[C@H](CCO)NC(=O)[C@@](C)(C#N)CC(=O)[O-]	ZINC000819955316	614207007	/nfs/dbraw/zinc/20/70/07/614207007.db2.gz	RZFZJVCSPSEEHN-JOYOIKCWSA-N	-1	0	256.302	0.514	20	30		CCEDRM
CC(C)=CC(=O)[N-]S(=O)(=O)c1cc(C(N)=O)n(C)c1	ZINC000042345979	614238270	/nfs/dbraw/zinc/23/82/70/614238270.db2.gz	AEDGRKFYJVBPGG-UHFFFAOYSA-N	-1	0	285.325	0.735	20	30		CCEDRM
CC(C)(C#N)CS(=O)(=O)N1CCC[C@@H](C#CC(=O)[O-])C1	ZINC000899925269	614286315	/nfs/dbraw/zinc/28/63/15/614286315.db2.gz	BKOZRLOUVIHCCK-NSHDSACASA-N	-1	0	298.364	0.666	20	30		CCEDRM
CC(C)(C#N)CS(=O)(=O)N1C[C@@H]2CC[C@]2(C(=O)[O-])C1	ZINC000899956079	614286823	/nfs/dbraw/zinc/28/68/23/614286823.db2.gz	ZVYNKMPTEPBYRM-CABZTGNLSA-N	-1	0	286.353	0.663	20	30		CCEDRM
CC(C)(C#N)CS(=O)(=O)[N-]C(=O)Cc1ccc(F)cn1	ZINC000805910582	614287283	/nfs/dbraw/zinc/28/72/83/614287283.db2.gz	UOIBZDBBGMXDOI-UHFFFAOYSA-N	-1	0	299.327	0.759	20	30		CCEDRM
CC(C)(C#N)CS(=O)(=O)N[C@H](CC(=O)[O-])C1CC1	ZINC000833414327	614287701	/nfs/dbraw/zinc/28/77/01/614287701.db2.gz	ZFSUQLVELOEWSR-SECBINFHSA-N	-1	0	274.342	0.709	20	30		CCEDRM
CC(C)[C@](C)(O)CNC(=O)[C@](C)(C#N)CC(=O)[O-]	ZINC000819955375	614289552	/nfs/dbraw/zinc/28/95/52/614289552.db2.gz	WXZQMHGKSYGNCW-NWDGAFQWSA-N	-1	0	256.302	0.514	20	30		CCEDRM
CCCCc1nc(CN(CC#N)CC(=O)[O-])no1	ZINC000829439919	614490679	/nfs/dbraw/zinc/49/06/79/614490679.db2.gz	GOXXWWIIQMGGMT-UHFFFAOYSA-N	-1	0	252.274	0.822	20	30		CCEDRM
CCCn1nccc1/C=C\C(=O)c1cn(CC(=O)[O-])nn1	ZINC000853008231	614545119	/nfs/dbraw/zinc/54/51/19/614545119.db2.gz	MCOJNXXIYBEKTQ-ARJAWSKDSA-N	-1	0	289.295	0.865	20	30		CCEDRM
CCC1(C(=O)N2CCN(C(=O)[O-])C[C@H]2C#N)COC1	ZINC000826640834	614629457	/nfs/dbraw/zinc/62/94/57/614629457.db2.gz	YAQGMRMBSQFMNG-SECBINFHSA-N	-1	0	267.285	0.127	20	30		CCEDRM
C[C@@](C#N)(CC(=O)[O-])C(=O)NC[C@@H]1COC(C)(C)O1	ZINC000820212039	614824998	/nfs/dbraw/zinc/82/49/98/614824998.db2.gz	WIKIXOADFCNCQS-PELKAZGASA-N	-1	0	270.285	0.259	20	30		CCEDRM
CC1(C)OC[C@@H]2C[C@@]21C(=O)[N-]S(=O)(=O)CCCC#N	ZINC000850926423	614829508	/nfs/dbraw/zinc/82/95/08/614829508.db2.gz	MFOCCPJUPOPPRO-CABZTGNLSA-N	-1	0	286.353	0.551	20	30		CCEDRM
CCCCC(=O)[N-]S(=O)(=O)c1cncc(C#N)c1	ZINC000813982855	614897502	/nfs/dbraw/zinc/89/75/02/614897502.db2.gz	VVACOQGDUFICAX-UHFFFAOYSA-N	-1	0	267.310	0.948	20	30		CCEDRM
CCN(C1CN(C(=O)[O-])C1)S(=O)(=O)CCCC#N	ZINC000826992331	614922607	/nfs/dbraw/zinc/92/26/07/614922607.db2.gz	HWUFWEQKTVQCHA-UHFFFAOYSA-N	-1	0	275.330	0.304	20	30		CCEDRM
CCN(CC#N)C(=O)CN1CCC(NC(=O)[O-])CC1	ZINC000826992637	614923168	/nfs/dbraw/zinc/92/31/68/614923168.db2.gz	QORKBGZHMLUOCG-UHFFFAOYSA-N	-1	0	268.317	0.090	20	30		CCEDRM
CC1=CC(=O)C(=C([O-])C=Cc2cn(C)cn2)C(=O)O1	ZINC000800792684	614968446	/nfs/dbraw/zinc/96/84/46/614968446.db2.gz	WCVSCZZQOIHNQK-AAOUONPWSA-N	-1	0	260.249	0.648	20	30		CCEDRM
CC1CC(C#N)(C(=O)N[C@@H]2CCCN(O)C2=O)C1	ZINC000848137118	615010805	/nfs/dbraw/zinc/01/08/05/615010805.db2.gz	YWAMRBYMGAINDF-NBBOBHDQSA-N	-1	0	251.286	0.423	20	30		CCEDRM
CC1CC(C#N)(C(=O)N[C@H]2CCCN(O)C2=O)C1	ZINC000848137119	615010929	/nfs/dbraw/zinc/01/09/29/615010929.db2.gz	YWAMRBYMGAINDF-XEVUQIKYSA-N	-1	0	251.286	0.423	20	30		CCEDRM
CCN(CCC#N)C(=O)CNC(=O)[C@@H](NC(=O)[O-])C(C)C	ZINC000833856945	615022181	/nfs/dbraw/zinc/02/21/81/615022181.db2.gz	DATJLIREVJIDFK-NSHDSACASA-N	-1	0	298.343	0.157	20	30		CCEDRM
CCC[C@H](NC(=O)[O-])C(=O)N[C@](C)(C#N)COC	ZINC000826751137	615044806	/nfs/dbraw/zinc/04/48/06/615044806.db2.gz	MPBWVFRFVMAYLK-GZMMTYOYSA-N	-1	0	257.290	0.468	20	30		CCEDRM
CCN(CCO)c1ccc(C=[NH+]NCC(=O)[O-])c(C)c1	ZINC000814958300	615055398	/nfs/dbraw/zinc/05/53/98/615055398.db2.gz	KFLCMFHWXFPSFK-UHFFFAOYSA-N	-1	0	279.340	0.822	20	30		CCEDRM
CCOC(CC(=O)Nc1nc(C#N)c(C#N)[n-]1)OCC	ZINC000806433932	615200234	/nfs/dbraw/zinc/20/02/34/615200234.db2.gz	WXNZLFQGNAIHHI-UHFFFAOYSA-N	-1	0	277.284	0.881	20	30		CCEDRM
CCOC(=O)N1CCC(C)(C=Nn2c(=O)[n-][nH]c2=O)CC1	ZINC000853349439	615225012	/nfs/dbraw/zinc/22/50/12/615225012.db2.gz	YIXLTEDLZGWJSZ-UHFFFAOYSA-N	-1	0	297.315	0.782	20	30		CCEDRM
CCOC(=O)NC1CCC(=NNCC(=O)[O-])CC1	ZINC000853351028	615241002	/nfs/dbraw/zinc/24/10/02/615241002.db2.gz	SHFMIXUZGCQZKO-UHFFFAOYSA-N	-1	0	257.290	0.705	20	30		CCEDRM
CCOCCCNC(=O)C(C#N)=C([O-])c1cc(C)n(C)n1	ZINC000917520733	615244439	/nfs/dbraw/zinc/24/44/39/615244439.db2.gz	ZVEOHNICDABESE-NSHDSACASA-N	-1	0	292.339	0.594	20	30		CCEDRM
CCOCCS(=O)(=O)[N-]C(=O)c1cccc(C#N)n1	ZINC000810578971	615297303	/nfs/dbraw/zinc/29/73/03/615297303.db2.gz	XOPYSJYOZYFAFO-UHFFFAOYSA-N	-1	0	283.309	0.049	20	30		CCEDRM
CCO[N-]C(=O)C(=O)Nc1ccc(F)cc1C#N	ZINC000134741454	615355336	/nfs/dbraw/zinc/35/53/36/615355336.db2.gz	HVRAQOXUPNUXBK-UHFFFAOYSA-N	-1	0	251.217	0.704	20	30		CCEDRM
CCO[N-]C(=O)CNC(=O)N(C)Cc1cccc(C#N)c1	ZINC000845552586	615359490	/nfs/dbraw/zinc/35/94/90/615359490.db2.gz	NZNNLDRXUHQIPF-UHFFFAOYSA-N	-1	0	290.323	0.767	20	30		CCEDRM
CCO[N-]C(=O)CNC(=O)NCCc1ccc(C#N)cc1	ZINC000852400258	615363113	/nfs/dbraw/zinc/36/31/13/615363113.db2.gz	ZDVHQMFKMBWQNM-UHFFFAOYSA-N	-1	0	290.323	0.468	20	30		CCEDRM
CCO[N-]C(=O)CNC(=O)N[C@H]1CC[C@@H](CC#N)C1	ZINC000845529778	615366820	/nfs/dbraw/zinc/36/68/20/615366820.db2.gz	BLRXJBTVIIWUKB-UWVGGRQHSA-N	-1	0	268.317	0.436	20	30		CCEDRM
CCO[N-]C(=O)CNC(=O)Nc1ccc(C#N)cc1OC	ZINC000844629834	615367353	/nfs/dbraw/zinc/36/73/53/615367353.db2.gz	PKRCVQICULTEJO-UHFFFAOYSA-N	-1	0	292.295	0.756	20	30		CCEDRM
CCO[C@@H](C)C(=O)N1CCN(C(=O)[O-])C[C@H]1C#N	ZINC000827362029	615399486	/nfs/dbraw/zinc/39/94/86/615399486.db2.gz	MDNXOVGIODLRLC-DTWKUNHWSA-N	-1	0	255.274	0.126	20	30		CCEDRM
CCOc1nc2sccn2c1C=Nn1c(=O)[n-][nH]c1=O	ZINC000814231376	615525383	/nfs/dbraw/zinc/52/53/83/615525383.db2.gz	VOQFGNNWCBLHEG-UHFFFAOYSA-N	-1	0	294.296	0.679	20	30		CCEDRM
CC[C@@H](SC)C(=O)[N-]S(=O)(=O)CC1(C#N)CC1	ZINC000793196739	615548373	/nfs/dbraw/zinc/54/83/73/615548373.db2.gz	LZTCXRPCBXAKGL-MRVPVSSYSA-N	-1	0	276.383	0.878	20	30		CCEDRM
CC[C@@](C)(NC(=O)[C@H](O)c1ccc(C#N)cc1)C(=O)[O-]	ZINC000833636957	615589949	/nfs/dbraw/zinc/58/99/49/615589949.db2.gz	FWXBMPSGVJSUEN-BXUZGUMPSA-N	-1	0	276.292	0.961	20	30		CCEDRM
CCc1ccc([C@@H](C#N)NC(=O)c2cc(=O)[nH][n-]2)cc1	ZINC000813677113	615677539	/nfs/dbraw/zinc/67/75/39/615677539.db2.gz	WJJHOGWLXQBUBN-GFCCVEGCSA-N	-1	0	270.292	0.806	20	30		CCEDRM
CCc1cccc(CC(=O)N[C@H]2CCN(O)C2=O)c1	ZINC000820148744	615682423	/nfs/dbraw/zinc/68/24/23/615682423.db2.gz	JFNGLBONSKOFRG-LBPRGKRZSA-N	-1	0	262.309	0.898	20	30		CCEDRM
CCn1ncc(C([O-])=C(C#N)C(=O)NCc2ccccc2)n1	ZINC000815906495	615694510	/nfs/dbraw/zinc/69/45/10/615694510.db2.gz	BFAJUMAOVYXYBM-LBPRGKRZSA-N	-1	0	297.318	0.937	20	30		CCEDRM
CCn1ncn(N=Cc2ccc(O)c(C(=O)[O-])c2)c1=O	ZINC000814234747	615729096	/nfs/dbraw/zinc/72/90/96/615729096.db2.gz	IYDAYQOYEFWFOH-UHFFFAOYSA-N	-1	0	276.252	0.351	20	30		CCEDRM
CCn1ncn(N=Cc2ccccc2C(=O)[O-])c1=O	ZINC000814234762	615729399	/nfs/dbraw/zinc/72/93/99/615729399.db2.gz	UMMIWMUDBCTYBT-UHFFFAOYSA-N	-1	0	260.253	0.645	20	30		CCEDRM
CN(C(=O)C1(c2ccc(C#N)cc2)CC1)c1nnn[n-]1	ZINC000892955165	615787947	/nfs/dbraw/zinc/78/79/47/615787947.db2.gz	XBUSLWBAPNZYOQ-UHFFFAOYSA-N	-1	0	268.280	0.766	20	30		CCEDRM
CN(C)C(=S)NN=Cc1ccc(NC(=O)[O-])nc1	ZINC000827989184	615838308	/nfs/dbraw/zinc/83/83/08/615838308.db2.gz	SBBZLUACHRCFOP-UHFFFAOYSA-N	-1	0	267.314	0.942	20	30		CCEDRM
CN(C(=O)[C@@H](C#N)CCc1ccccc1)c1nnn[n-]1	ZINC000912617068	615846891	/nfs/dbraw/zinc/84/68/91/615846891.db2.gz	CQXOINRBSFAPHN-LLVKDONJSA-N	-1	0	270.296	0.935	20	30		CCEDRM
CC[C@H]1CN(C(=O)[C@](C)(C#N)CC(=O)[O-])CCO1	ZINC000820297264	615902894	/nfs/dbraw/zinc/90/28/94/615902894.db2.gz	QYIKSIKHTRZOCC-CABZTGNLSA-N	-1	0	254.286	0.628	20	30		CCEDRM
CCn1[n-]nnc1=NC(=O)N(C[C@@H](C)C#N)C1CC1	ZINC000888332727	615910640	/nfs/dbraw/zinc/91/06/40/615910640.db2.gz	HEZAEHAZQJMBRT-QMMMGPOBSA-N	-1	0	263.305	0.271	20	30		CCEDRM
CC[C@](C)(C#N)C(=O)N1C[C@H]2COCC[C@@]2(C(=O)[O-])C1	ZINC000923072589	615941898	/nfs/dbraw/zinc/94/18/98/615941898.db2.gz	IQPRLAZABITCNM-ZLKJLUDKSA-N	-1	0	280.324	0.876	20	30		CCEDRM
CCn1cc(S(=O)(=O)[N-]C(=O)[C@@H](C)CC#N)cn1	ZINC000850877718	616010555	/nfs/dbraw/zinc/01/05/55/616010555.db2.gz	GWEVCVCEYLPXBT-QMMMGPOBSA-N	-1	0	270.314	0.258	20	30		CCEDRM
CC[S@@](C)(=O)=NS(=O)(=O)[N-][C@@H](C#N)CC(C)C	ZINC000906061059	616012095	/nfs/dbraw/zinc/01/20/95/616012095.db2.gz	NUGGSRWWGTXRIR-JDNHERCYSA-N	-1	0	281.403	0.877	20	30		CCEDRM
CC[S@@](C)(=O)=NS(=O)(=O)[N-][C@@]1(C#N)CC1(C)C	ZINC000906066132	616012258	/nfs/dbraw/zinc/01/22/58/616012258.db2.gz	GWJLDPBVYVGNEN-JDNHERCYSA-N	-1	0	279.387	0.631	20	30		CCEDRM
CN(C)c1cccc(CNC(=O)[C@@](C)(C#N)CC(=O)[O-])n1	ZINC000820548090	616021705	/nfs/dbraw/zinc/02/17/05/616021705.db2.gz	XBIDYNDXERPXQX-CQSZACIVSA-N	-1	0	290.323	0.768	20	30		CCEDRM
CC[S@](C)(=O)=NS(=O)(=O)[N-][C@H](C#N)C(C)C	ZINC000906065955	616022766	/nfs/dbraw/zinc/02/27/66/616022766.db2.gz	WAEAQHWPYDEYPE-GLEZIHRCSA-N	-1	0	267.376	0.487	20	30		CCEDRM
CCc1[nH]nc(Cl)c1C=Nn1c(=O)[n-][nH]c1=O	ZINC000863115247	616033534	/nfs/dbraw/zinc/03/35/34/616033534.db2.gz	IEWWQCQSJSZONQ-UHFFFAOYSA-N	-1	0	256.653	0.510	20	30		CCEDRM
COC(=O)[C@@H]1CC[C@H](C(=O)[N-]Oc2cccc(C#N)c2)O1	ZINC000870691239	616355559	/nfs/dbraw/zinc/35/55/59/616355559.db2.gz	LYFZDOYQCNAZRN-NEPJUHHUSA-N	-1	0	290.275	0.689	20	30		CCEDRM
COCCN1CCN(C(=O)[C@](C)(C#N)CC(=O)[O-])C[C@H]1C	ZINC000820730700	616366955	/nfs/dbraw/zinc/36/69/55/616366955.db2.gz	YIDJICWNDFGWBS-RISCZKNCSA-N	-1	0	297.355	0.170	20	30		CCEDRM
COC(=O)[C@@H]1CN(C(=O)[C@@](C)(C#N)CC(=O)[O-])C[C@@H]1C	ZINC000820660603	616379934	/nfs/dbraw/zinc/37/99/34/616379934.db2.gz	JITALJGTYYRVGA-IGJMFERPSA-N	-1	0	282.296	0.258	20	30		CCEDRM
COCCNC(=O)C(C#N)=C([O-])c1ccc(F)s1	ZINC000850758195	616491789	/nfs/dbraw/zinc/49/17/89/616491789.db2.gz	ZWTXCGCVCXLBOF-ZETCQYMHSA-N	-1	0	270.285	0.972	20	30		CCEDRM
COCCON=C1C(=O)Nc2cc([O-])c(F)cc21	ZINC000834964998	616570006	/nfs/dbraw/zinc/57/00/06/616570006.db2.gz	SMIOALIPQXVPCE-UHFFFAOYSA-N	-1	0	254.217	0.851	20	30		CCEDRM
COCC(COC)NN=Cc1ccc([O-])c([N+](=O)[O-])c1	ZINC000863196615	616736856	/nfs/dbraw/zinc/73/68/56/616736856.db2.gz	PGWZAMNDQIJWDV-UHFFFAOYSA-N	-1	0	283.284	0.885	20	30		CCEDRM
COCC1(S(=O)(=O)[N-]C(=O)c2ccc(C#N)cc2)CC1	ZINC000811155115	616801331	/nfs/dbraw/zinc/80/13/31/616801331.db2.gz	JVAMTHGXEPOWLZ-UHFFFAOYSA-N	-1	0	294.332	0.797	20	30		CCEDRM
COCC1(S(=O)(=O)[N-]C(=O)c2ccc(C#N)nc2)CC1	ZINC000811155749	616801408	/nfs/dbraw/zinc/80/14/08/616801408.db2.gz	KKCBVRNCLQUXEG-UHFFFAOYSA-N	-1	0	295.320	0.192	20	30		CCEDRM
COC[C@](C)(C#N)NC(=O)CC[C@@H]1CCCN1C(=O)[O-]	ZINC000833882022	616816477	/nfs/dbraw/zinc/81/64/77/616816477.db2.gz	IDXXKLQHPXJXDA-GWCFXTLKSA-N	-1	0	283.328	0.954	20	30		CCEDRM
COC[C@](C)(NC(=O)Cc1cccc(C#N)c1)C(=O)[O-]	ZINC000831613609	616828675	/nfs/dbraw/zinc/82/86/75/616828675.db2.gz	YSXDNIJTZQXSFV-AWEZNQCLSA-N	-1	0	276.292	0.707	20	30		CCEDRM
COC[C@](C)(NC(=O)c1ccc(C#N)nc1)C(=O)[O-]	ZINC000831617846	616831415	/nfs/dbraw/zinc/83/14/15/616831415.db2.gz	VSHDJNDYFNWJCO-LBPRGKRZSA-N	-1	0	263.253	0.173	20	30		CCEDRM
CNC(=O)C(C#N)=C([O-])c1cncc(OCCOC)c1	ZINC000802044131	616839782	/nfs/dbraw/zinc/83/97/82/616839782.db2.gz	HARQXDGWESYJBF-LLVKDONJSA-N	-1	0	277.280	0.175	20	30		CCEDRM
COC(=O)c1cc(C=NNCCC(=O)[O-])oc1C	ZINC000820677884	616844019	/nfs/dbraw/zinc/84/40/19/616844019.db2.gz	WERPAZBEOPPVCY-UHFFFAOYSA-N	-1	0	254.242	0.773	20	30		CCEDRM
COCCN(CCC(=O)[O-])c1cnc(C#N)cn1	ZINC000900980017	616996939	/nfs/dbraw/zinc/99/69/39/616996939.db2.gz	WASSCBRORITBPK-UHFFFAOYSA-N	-1	0	250.258	0.276	20	30		CCEDRM
COCCN(CCC(=O)[O-])c1ccc(C#N)nn1	ZINC000900978980	616997296	/nfs/dbraw/zinc/99/72/96/616997296.db2.gz	VRSRDCSVKOAISC-UHFFFAOYSA-N	-1	0	250.258	0.276	20	30		CCEDRM
CO[C@@H](Cc1ccccc1)C(=O)N[C@@H]1CCCN(O)C1=O	ZINC000848132813	617170809	/nfs/dbraw/zinc/17/08/09/617170809.db2.gz	VIQWNNODAAHRCQ-OLZOCXBDSA-N	-1	0	292.335	0.741	20	30		CCEDRM
Cc1occc1C(=O)[N-]S(=O)(=O)CCCC#N	ZINC000181261124	625369609	/nfs/dbraw/zinc/36/96/09/625369609.db2.gz	NWQFTZRLHUQVSW-UHFFFAOYSA-N	-1	0	256.283	0.951	20	30		CCEDRM
Cc1ncsc1C(=O)[N-]S(=O)(=O)CCCC#N	ZINC000181284399	625370205	/nfs/dbraw/zinc/37/02/05/625370205.db2.gz	DYYIMUVLEABPQS-UHFFFAOYSA-N	-1	0	273.339	0.815	20	30		CCEDRM
N#Cc1ccc(CC(=O)[N-]S(=O)(=O)C2(Cl)CC2)cn1	ZINC000893232741	625389454	/nfs/dbraw/zinc/38/94/54/625389454.db2.gz	CHLINQMMQGSSQP-UHFFFAOYSA-N	-1	0	299.739	0.671	20	30		CCEDRM
N#Cc1cccc(S(=O)(=O)NC/C=C\C(=O)[O-])c1	ZINC000310672670	625455399	/nfs/dbraw/zinc/45/53/99/625455399.db2.gz	ITKSTQUNEWFMOL-DJWKRKHSSA-N	-1	0	266.278	0.477	20	30		CCEDRM
N#Cc1ccc([O-])c(NC(=O)c2nccnc2N)c1	ZINC000176813635	623080202	/nfs/dbraw/zinc/08/02/02/623080202.db2.gz	UNPCFHDTQQERIK-UHFFFAOYSA-N	-1	0	255.237	0.888	20	30		CCEDRM
C[C@H](CC(=O)[N-]S(C)(=O)=O)NC(=O)C1CCCC1	ZINC000066229800	623439041	/nfs/dbraw/zinc/43/90/41/623439041.db2.gz	RIERIWZDHGHZTE-MRVPVSSYSA-N	-1	0	276.358	0.988	20	30		CCEDRM
N#Cc1ccccc1S(=O)(=O)NC/C=C\C(=O)[O-]	ZINC000310708646	623476738	/nfs/dbraw/zinc/47/67/38/623476738.db2.gz	ZVWUCGZMEJZAKD-UTCJRWHESA-N	-1	0	266.278	0.477	20	30		CCEDRM
C=CCN(CC(=O)[O-])C(=O)N[C@@H](C)c1cn[nH]c1	ZINC000229753487	623561843	/nfs/dbraw/zinc/56/18/43/623561843.db2.gz	KYIGFKGGTUBLAF-QMMMGPOBSA-N	-1	0	252.274	0.753	20	30		CCEDRM
N#CCCNS(=O)(=O)c1ccc(C(=O)[O-])c(F)c1	ZINC000310845909	623585975	/nfs/dbraw/zinc/58/59/75/623585975.db2.gz	KMBXTGICNCCPLK-UHFFFAOYSA-N	-1	0	272.257	0.716	20	30		CCEDRM
COCCNC(=O)C(C#N)=C([O-])c1cnn(C(C)C)c1C	ZINC000181251144	623647061	/nfs/dbraw/zinc/64/70/61/623647061.db2.gz	ILFXGQIFWBGAHZ-LLVKDONJSA-N	-1	0	292.339	0.858	20	30		CCEDRM
C[C@@H](NC(=O)c1cccs1)C(=O)[N-]S(C)(=O)=O	ZINC000042279616	624479868	/nfs/dbraw/zinc/47/98/68/624479868.db2.gz	HVMIOLWQRGLRME-ZCFIWIBFSA-N	-1	0	276.339	0.783	20	30		CCEDRM
N#Cc1ccc(S(=O)(=O)N[C@@H](CC(=O)[O-])C2CC2)o1	ZINC000806636686	624635795	/nfs/dbraw/zinc/63/57/95/624635795.db2.gz	SUYDLZNTHPRCQI-VIFPVBQESA-N	-1	0	284.293	0.683	20	30		CCEDRM
COCCNC(=O)C(C#N)=C([O-])c1nc(C)sc1C	ZINC000178705947	631524543	/nfs/dbraw/zinc/52/45/43/631524543.db2.gz	KCAYTLOYNNNKIQ-SECBINFHSA-N	-1	0	281.337	0.845	20	30		CCEDRM
C[C@H](CNS(=O)(=O)Cc1ccccc1C#N)C(=O)[O-]	ZINC000054333744	632642352	/nfs/dbraw/zinc/64/23/52/632642352.db2.gz	NSFFDWUEFHCBIQ-SECBINFHSA-N	-1	0	282.321	0.698	20	30		CCEDRM
Cc1[nH]nc(C(=O)N2C[C@H](NCC#N)C[C@@H]2C)c1[O-]	ZINC000988659793	633073163	/nfs/dbraw/zinc/07/31/63/633073163.db2.gz	CTNQABJCYLZOEY-IONNQARKSA-N	-1	0	263.301	0.140	20	30		CCEDRM
CS(=O)(=O)[N-]C(=O)c1ccc2c(c1)NC(=O)CS2	ZINC000042279012	633897504	/nfs/dbraw/zinc/89/75/04/633897504.db2.gz	CAXGEMCDLVSXHR-UHFFFAOYSA-N	-1	0	286.334	0.995	20	30		CCEDRM
CC1(S(=O)(=O)N2CCC[C@@H](C#CC(=O)[O-])C2)CC1	ZINC000899925306	633923407	/nfs/dbraw/zinc/92/34/07/633923407.db2.gz	CQMDLPOUDUMMMB-JTQLQIEISA-N	-1	0	271.338	0.669	20	30		CCEDRM
N#Cc1ccc(S(=O)(=O)N2C[C@H]3[C@H](C(=O)[O-])[C@H]3C2)s1	ZINC000899938445	633925590	/nfs/dbraw/zinc/92/55/90/633925590.db2.gz	KXINMALUJHYBJU-MBTKJCJQSA-N	-1	0	298.345	0.571	20	30		CCEDRM
Cn1nc(C(=O)[O-])cc1C=NN[C@@H]1CCCSC1	ZINC000901277938	634219099	/nfs/dbraw/zinc/21/90/99/634219099.db2.gz	KSVJHAKFQIYHTC-MRVPVSSYSA-N	-1	0	268.342	0.937	20	30		CCEDRM
C[C@@H]1C(=O)N(N=Cc2cc(C(=O)[O-])cn2C)C(=O)N1C	ZINC000901266788	634220223	/nfs/dbraw/zinc/22/02/23/634220223.db2.gz	VQDBGLWLDSVWKF-SSDOTTSWSA-N	-1	0	278.268	0.340	20	30		CCEDRM
N#CC1(C(=O)N2CCO[C@@H](C(=O)[O-])C2)CC2(CC2)C1	ZINC000901448322	634250245	/nfs/dbraw/zinc/25/02/45/634250245.db2.gz	LMYNYKGFBAAJIS-SECBINFHSA-N	-1	0	264.281	0.382	20	30		CCEDRM
C[C@@H](CC#N)N(C)C(=O)c1cc(C(=O)[O-])nn1C	ZINC000902274008	634357067	/nfs/dbraw/zinc/35/70/67/634357067.db2.gz	RIPCJXGDCNQPOT-ZETCQYMHSA-N	-1	0	250.258	0.492	20	30		CCEDRM
CC(C)(C#N)CS(=O)(=O)N1CC(F)(F)C[C@@H]1C(=O)[O-]	ZINC000905996681	634946309	/nfs/dbraw/zinc/94/63/09/634946309.db2.gz	ITNRTAYOCATJIT-SSDOTTSWSA-N	-1	0	296.295	0.660	20	30		CCEDRM
N#CC1CN(S(=O)(=O)c2ccc(C(=O)[O-])cc2)C1	ZINC000906999587	635060680	/nfs/dbraw/zinc/06/06/80/635060680.db2.gz	WDKVVDWTFDFXOX-UHFFFAOYSA-N	-1	0	266.278	0.529	20	30		CCEDRM
N#CCC1CN(S(=O)(=O)c2csc(C(=O)[O-])c2)C1	ZINC000907038259	635065707	/nfs/dbraw/zinc/06/57/07/635065707.db2.gz	GSFFXPAVDPLLDP-UHFFFAOYSA-N	-1	0	286.334	0.980	20	30		CCEDRM
C#CCOCCC(=O)[N-]S(=O)(=O)c1ccc(C#N)cc1	ZINC000165218495	636897584	/nfs/dbraw/zinc/89/75/84/636897584.db2.gz	ZILYBEFBLSUZDL-UHFFFAOYSA-N	-1	0	292.316	0.403	20	30		CCEDRM
N#Cc1cnn(C(=O)c2c[n-]c3ccccc3c2=O)c1N	ZINC000060470807	637048837	/nfs/dbraw/zinc/04/88/37/637048837.db2.gz	FHKKRYOVAVZITM-UHFFFAOYSA-N	-1	0	279.259	0.867	20	30		CCEDRM
N#Cc1ccc(S(=O)(=O)[N-]C(=O)[C@H]2CCCOC2)cc1	ZINC000171032979	637112517	/nfs/dbraw/zinc/11/25/17/637112517.db2.gz	YVDZYOGNUIZNLP-NSHDSACASA-N	-1	0	294.332	0.790	20	30		CCEDRM
CCOCCS(=O)(=O)[N-]C(=O)c1cccc(CC#N)c1	ZINC000171800503	637147512	/nfs/dbraw/zinc/14/75/12/637147512.db2.gz	LVBPWLXZRQXVCL-UHFFFAOYSA-N	-1	0	296.348	0.849	20	30		CCEDRM
N#Cc1cn(CCC(=O)N2CCC(F)CC2)c(=O)[n-]c1=O	ZINC000914429469	637625746	/nfs/dbraw/zinc/62/57/46/637625746.db2.gz	VBMJEABOZMITNN-UHFFFAOYSA-N	-1	0	294.286	0.171	20	30		CCEDRM
N#CC(C(=O)N1CCCC1)=C([O-])c1cnn2cccnc12	ZINC000916869794	637930397	/nfs/dbraw/zinc/93/03/97/637930397.db2.gz	RTTFYIUVWYQKTB-SNVBAGLBSA-N	-1	0	283.291	0.674	20	30		CCEDRM
C=CCOC[C@@H](NC(=O)COCc1ccccc1)C(=O)[O-]	ZINC000262970882	638111711	/nfs/dbraw/zinc/11/17/11/638111711.db2.gz	JXVRHQATOQDCQR-CYBMUJFWSA-N	-1	0	293.319	0.975	20	30		CCEDRM
C=CCOC[C@H](NC(=O)COCc1ccccc1)C(=O)[O-]	ZINC000262970884	638112402	/nfs/dbraw/zinc/11/24/02/638112402.db2.gz	JXVRHQATOQDCQR-ZDUSSCGKSA-N	-1	0	293.319	0.975	20	30		CCEDRM
CCc1cc(C(=O)[N-]S(=O)(=O)CCCC#N)[nH]n1	ZINC000181298033	638334537	/nfs/dbraw/zinc/33/45/37/638334537.db2.gz	WEUYOARHGUJYEH-UHFFFAOYSA-N	-1	0	270.314	0.335	20	30		CCEDRM
CC(=O)N[C@H](C)C(=O)[N-]S(=O)(=O)Cc1ccccc1	ZINC000069612848	638388189	/nfs/dbraw/zinc/38/81/89/638388189.db2.gz	AZKYGUMVCAZTSF-SECBINFHSA-N	-1	0	284.337	0.998	20	30		CCEDRM
N#C[C@@]1(C(=O)NC[C@H]2[C@@H](C(=O)[O-])C2(F)F)CCCOC1	ZINC000923099573	640020631	/nfs/dbraw/zinc/02/06/31/640020631.db2.gz	LOAINGBFQJLLEK-LAEOZQHASA-N	-1	0	288.250	0.389	20	30		CCEDRM
Cn1cc(C#N)cc1C(=O)[N-]S(=O)(=O)C1(C)CC1	ZINC000806028024	640452545	/nfs/dbraw/zinc/45/25/45/640452545.db2.gz	WWWICWSQRIQWPL-UHFFFAOYSA-N	-1	0	267.310	0.509	20	30		CCEDRM
CS(=O)(=O)[N-]C(=O)c1ccn(-c2cccc(C#N)c2)n1	ZINC000798811929	640527804	/nfs/dbraw/zinc/52/78/04/640527804.db2.gz	NNZNKDSTVKNTHK-UHFFFAOYSA-N	-1	0	290.304	0.433	20	30		CCEDRM
C[C@H](C(=O)[N-]S(=O)(=O)CC(C)(C)C)n1cnc(C#N)n1	ZINC000798829800	640530431	/nfs/dbraw/zinc/53/04/31/640530431.db2.gz	KCRKQGUERLUWPK-MRVPVSSYSA-N	-1	0	299.356	0.203	20	30		CCEDRM
C[C@@H](C#N)OCCOC(=O)C(C)(C)[N-]C(=O)C(F)(F)F	ZINC000801862341	640671638	/nfs/dbraw/zinc/67/16/38/640671638.db2.gz	BUOMDVSXROGOGG-ZETCQYMHSA-N	-1	0	296.245	0.915	20	30		CCEDRM
N#Cc1ccc(CNC(=O)c2cc(=O)[nH][n-]2)cc1Cl	ZINC000802653181	640700674	/nfs/dbraw/zinc/70/06/74/640700674.db2.gz	PEEWKGVEOYRWNO-UHFFFAOYSA-N	-1	0	276.683	0.704	20	30		CCEDRM
O=C1Nc2cc3c(cc2C1=N[N-]c1nc[nH]n1)OCCO3	ZINC000807999145	640844556	/nfs/dbraw/zinc/84/45/56/640844556.db2.gz	YWTNRWSTCXXYGE-UHFFFAOYSA-N	-1	0	286.251	0.344	20	30		CCEDRM
CC#CCS(=O)(=O)[N-]C(=O)c1cccc([S@@](C)=O)c1	ZINC000810776759	640949353	/nfs/dbraw/zinc/94/93/53/640949353.db2.gz	HGQVPEVPRFRZRY-GOSISDBHSA-N	-1	0	299.373	0.507	20	30		CCEDRM
CC#CCS(=O)(=O)[N-]C(=O)c1cn2ccnc2s1	ZINC000810776441	640949515	/nfs/dbraw/zinc/94/95/15/640949515.db2.gz	TVMYNKFLACRVJQ-UHFFFAOYSA-N	-1	0	283.334	0.479	20	30		CCEDRM
Cc1c(S(=O)(=O)[N-]C(=O)c2ccc(C#N)o2)cnn1C	ZINC000813955122	641051147	/nfs/dbraw/zinc/05/11/47/641051147.db2.gz	BADFGQDPSKGHTI-UHFFFAOYSA-N	-1	0	294.292	0.312	20	30		CCEDRM
O=C1[N-]C(=O)C(=NNc2cccc3c2CCCC3)C(=O)N1	ZINC000814217514	641060246	/nfs/dbraw/zinc/06/02/46/641060246.db2.gz	BIUXFVHQRWYILT-UHFFFAOYSA-N	-1	0	286.291	0.699	20	30		CCEDRM
O=c1[n-][nH]c(=O)n1N=Cc1ccc(N2CCCC2)nc1	ZINC000814231425	641061057	/nfs/dbraw/zinc/06/10/57/641061057.db2.gz	WVPKZVSUDUJTBK-UHFFFAOYSA-N	-1	0	274.284	0.567	20	30		CCEDRM
O=c1[n-][nH]c(=O)n1N=Cc1nccn1CC(F)(F)F	ZINC000814231121	641061599	/nfs/dbraw/zinc/06/15/99/641061599.db2.gz	MPGJVEYSBQVWKL-UHFFFAOYSA-N	-1	0	276.178	0.330	20	30		CCEDRM
C[C@H](O)CNN=Cc1[nH]nc2cc(C(=O)[O-])ccc21	ZINC000814960755	641084882	/nfs/dbraw/zinc/08/48/82/641084882.db2.gz	VFXUZOMIPWBCCP-ZETCQYMHSA-N	-1	0	262.269	0.565	20	30		CCEDRM
Cc1cc(C#N)cnc1C(=O)[N-]S(=O)(=O)C1CCC1	ZINC000816050288	641138199	/nfs/dbraw/zinc/13/81/99/641138199.db2.gz	KQNDGCIKQMGRAT-UHFFFAOYSA-N	-1	0	279.321	0.874	20	30		CCEDRM
O=C(N[C@@H]1CCCN(O)C1=O)c1cc(F)cc2[nH]cnc21	ZINC000820482467	641510053	/nfs/dbraw/zinc/51/00/53/641510053.db2.gz	KQECYLSOLVZTPC-SECBINFHSA-N	-1	0	292.270	0.812	20	30		CCEDRM
CSCC(C)(C)C(=O)[N-]S(=O)(=O)CCC#N	ZINC000821582281	641610443	/nfs/dbraw/zinc/61/04/43/641610443.db2.gz	IUHHJBSPUDSQNX-UHFFFAOYSA-N	-1	0	264.372	0.735	20	30		CCEDRM
N#CCCS(=O)(=O)[N-]C(=O)Cc1ccc(F)c(F)c1	ZINC000821582115	641610598	/nfs/dbraw/zinc/61/05/98/641610598.db2.gz	CZRSOCDMDWNKEM-UHFFFAOYSA-N	-1	0	288.275	0.867	20	30		CCEDRM
N#CCCS(=O)(=O)[N-]C(=O)[C@H]1CCOc2ccccc21	ZINC000821582822	641611627	/nfs/dbraw/zinc/61/16/27/641611627.db2.gz	YOHYPCRVQJOMNG-NSHDSACASA-N	-1	0	294.332	0.912	20	30		CCEDRM
N#Cc1c(-c2nnn[n-]2)ncn1Cc1ccc(C(N)=O)cc1	ZINC000826383130	641930022	/nfs/dbraw/zinc/93/00/22/641930022.db2.gz	LYYHQQZRJJUENS-UHFFFAOYSA-N	-1	0	294.278	0.082	20	30		CCEDRM
C[C@H]1CN(C(=O)C2(C#N)CCOCC2)C[C@H]1C(=O)[O-]	ZINC000828318109	642087085	/nfs/dbraw/zinc/08/70/85/642087085.db2.gz	LARSPLSIIBAJBL-VHSXEESVSA-N	-1	0	266.297	0.486	20	30		CCEDRM
CN(Cc1ccc(C#N)cc1)C(=O)Cn1cc(C(=O)[O-])nn1	ZINC000830811297	642295444	/nfs/dbraw/zinc/29/54/44/642295444.db2.gz	ZAPHNVNDPJQZNV-UHFFFAOYSA-N	-1	0	299.290	0.507	20	30		CCEDRM
N#CCN1CCC(NC(=O)CC2CN(C(=O)[O-])C2)CC1	ZINC000831102478	642314250	/nfs/dbraw/zinc/31/42/50/642314250.db2.gz	KWSRJDBHWDBXAI-UHFFFAOYSA-N	-1	0	280.328	0.090	20	30		CCEDRM
C[C@H](CO)NN=C1CCC[C@H]1[C@@H]1COCCN1C(=O)[O-]	ZINC000833809884	642542558	/nfs/dbraw/zinc/54/25/58/642542558.db2.gz	UUPLFFDCIJISAD-FOGDFJRCSA-N	-1	0	285.344	0.492	20	30		CCEDRM
CC#CCS(=O)(=O)[N-]C(=O)c1nn(C)c2c1CCCC2	ZINC000835372347	642659773	/nfs/dbraw/zinc/65/97/73/642659773.db2.gz	RSLRSHSHCPKUGH-UHFFFAOYSA-N	-1	0	295.364	0.382	20	30		CCEDRM
N#Cc1ccc(S(=O)(=O)NCCOC(=O)C2CC2)o1	ZINC000841535503	642824297	/nfs/dbraw/zinc/82/42/97/642824297.db2.gz	ZEONIRQQVVPMLV-UHFFFAOYSA-N	-1	0	284.293	0.383	20	30		CCEDRM
N#CC1(CS(=O)(=O)[N-]C(=O)C2(C(F)F)CC2)CC1	ZINC000842754971	642946020	/nfs/dbraw/zinc/94/60/20/642946020.db2.gz	VBIIGYVUASXKMS-UHFFFAOYSA-N	-1	0	278.280	0.781	20	30		CCEDRM
C[C@@H](CC#N)N(C)S(=O)(=O)N[C@H](CC1CC1)C(=O)[O-]	ZINC000844801211	643249804	/nfs/dbraw/zinc/24/98/04/643249804.db2.gz	NMKKYXBKDXHKFF-WCBMZHEXSA-N	-1	0	289.357	0.308	20	30		CCEDRM
N#CCCCCC(=O)[N-]S(=O)(=O)N1CCCC1	ZINC000847631599	643539557	/nfs/dbraw/zinc/53/95/57/643539557.db2.gz	GQBVQRHQFSZYKX-UHFFFAOYSA-N	-1	0	259.331	0.527	20	30		CCEDRM
Cn1ncc(C2CC2)c1C(=O)[N-]S(=O)(=O)CCCC#N	ZINC000850926467	643822774	/nfs/dbraw/zinc/82/27/74/643822774.db2.gz	MSYZLDKVFKHNBJ-UHFFFAOYSA-N	-1	0	296.352	0.661	20	30		CCEDRM
C[C@@H](CC#N)C(=O)[N-]S(=O)(=O)c1ccc(F)cn1	ZINC000851075653	643830500	/nfs/dbraw/zinc/83/05/00/643830500.db2.gz	ACEMEFRTPGVWTH-ZETCQYMHSA-N	-1	0	271.273	0.575	20	30		CCEDRM
Cc1cc(C(=O)[N-]S(=O)(=O)CC(F)F)ncc1C#N	ZINC000851363637	643844232	/nfs/dbraw/zinc/84/42/32/643844232.db2.gz	GCJKNNPVPBVSKA-UHFFFAOYSA-N	-1	0	289.263	0.586	20	30		CCEDRM
N#CC1(CS(=O)(=O)[N-]C(=O)C23CC(C2)C3)CCC1	ZINC000860672509	644820765	/nfs/dbraw/zinc/82/07/65/644820765.db2.gz	WULLIFLWQQWCNR-UHFFFAOYSA-N	-1	0	268.338	0.926	20	30		CCEDRM
C[C@@H](CC#N)C(=O)[N-]S(=O)(=O)[C@@H]1COC(C)(C)C1	ZINC000861141622	644859253	/nfs/dbraw/zinc/85/92/53/644859253.db2.gz	ZNQIMNVJWROFSQ-IUCAKERBSA-N	-1	0	274.342	0.550	20	30		CCEDRM
O=C([O-])c1cc(C=NN[C@H]2CCCS(=O)(=O)C2)c[nH]1	ZINC000863133053	645061888	/nfs/dbraw/zinc/06/18/88/645061888.db2.gz	WOTNUNDRFWTBPT-VIFPVBQESA-N	-1	0	285.325	0.214	20	30		CCEDRM
C[C@H](C(=O)[O-])C(=O)N[C@H]1Cc2ccc(C#N)cc2C1	ZINC000868466451	645772727	/nfs/dbraw/zinc/77/27/27/645772727.db2.gz	UQCDMXRSRUGUFC-UFBFGSQYSA-N	-1	0	258.277	0.862	20	30		CCEDRM
C[C@@H]1C[C@@H](C(=O)[N-]S(=O)(=O)CC(C)(C)C#N)[C@H](C)O1	ZINC000870270138	645976932	/nfs/dbraw/zinc/97/69/32/645976932.db2.gz	ASSZTPOSURUAGR-KXUCPTDWSA-N	-1	0	288.369	0.796	20	30		CCEDRM
CC#CCS(=O)(=O)[N-]C(=O)c1ccsc1COC	ZINC000870329166	645983369	/nfs/dbraw/zinc/98/33/69/645983369.db2.gz	AXIUEJBPKIFRCN-UHFFFAOYSA-N	-1	0	287.362	0.977	20	30		CCEDRM
C[C@@H]1C[C@@H](C(=O)[N-]S(=O)(=O)CCC#N)[C@@H](C)O1	ZINC000870350379	645984739	/nfs/dbraw/zinc/98/47/39/645984739.db2.gz	BPKYABXGYYAGAK-IWSPIJDZSA-N	-1	0	260.315	0.160	20	30		CCEDRM
N#Cc1cccc(O[N-]C(=O)CN2CCCNC2=O)c1	ZINC000870692645	646018107	/nfs/dbraw/zinc/01/81/07/646018107.db2.gz	JCNFOGNVAABOHL-UHFFFAOYSA-N	-1	0	274.280	0.384	20	30		CCEDRM
N#Cc1cccc(O[N-]C(=O)[C@H]2CCCNC2=O)c1	ZINC000870689926	646018198	/nfs/dbraw/zinc/01/81/98/646018198.db2.gz	DQIHTFCFHVCUFV-NSHDSACASA-N	-1	0	259.265	0.494	20	30		CCEDRM
Cc1cccc(C#N)c1S(=O)(=O)N1CC[C@H]1C(=O)[O-]	ZINC000871769527	646179319	/nfs/dbraw/zinc/17/93/19/646179319.db2.gz	KUDMQDGXKBOTGT-JTQLQIEISA-N	-1	0	280.305	0.714	20	30		CCEDRM
Cc1nnc([S-])n(N=CCCOCC(F)F)c1=O	ZINC000872330569	646249041	/nfs/dbraw/zinc/24/90/41/646249041.db2.gz	QPXKXQGFNAXYGR-UHFFFAOYSA-N	-1	0	278.284	0.741	20	30		CCEDRM
Cn1ccnc1C([O-])=C(C#N)C(=O)[C@H]1CCCCO1	ZINC000132668575	647557241	/nfs/dbraw/zinc/55/72/41/647557241.db2.gz	PMDUQXXWNXIBNF-NXEZZACHSA-N	-1	0	261.281	0.881	20	30		CCEDRM
Cn1cc(C(=O)[N-]S(=O)(=O)C2CCCC2)cn1	ZINC000086056491	649616547	/nfs/dbraw/zinc/61/65/47/649616547.db2.gz	BIUPQAATYGMLKM-UHFFFAOYSA-N	-1	0	257.315	0.997	20	30		CCEDRM
C#CCN(CC(=O)[O-])S(=O)(=O)Cc1ccc(F)cc1	ZINC000092479814	649724074	/nfs/dbraw/zinc/72/40/74/649724074.db2.gz	GIQUBSFCDQLSNN-UHFFFAOYSA-N	-1	0	285.296	0.675	20	30		CCEDRM
C=CCN(CC(=O)[O-])C(=O)NCc1ccnn1C	ZINC000092468759	649724302	/nfs/dbraw/zinc/72/43/02/649724302.db2.gz	PMUSXNUCVLHUTH-UHFFFAOYSA-N	-1	0	252.274	0.202	20	30		CCEDRM
C#CCN(CC(=O)[O-])S(=O)(=O)c1ccc(OCC)cc1	ZINC000092479745	649724434	/nfs/dbraw/zinc/72/44/34/649724434.db2.gz	ZQXDTUSANCBENW-UHFFFAOYSA-N	-1	0	297.332	0.794	20	30		CCEDRM
N#Cc1ccc2ccc(OC(=O)[C@H](O)CC(=O)[O-])nc2c1	ZINC001231371363	805784790	/nfs/dbraw/zinc/78/47/90/805784790.db2.gz	UFMVYLBHROOPJY-LLVKDONJSA-N	-1	0	286.243	0.847	20	30		CCEDRM
COC(OC)c1c(/C=N/O)ccnc1N[C@@H]1CO[N-]C1=O	ZINC001167513105	791500649	/nfs/dbraw/zinc/50/06/49/791500649.db2.gz	GXZVZXJLUFMPHQ-VJYAUKRXSA-N	-1	0	296.283	0.023	20	30		CCEDRM
Cn1cc(/C=C\C(=O)c2sccc2[O-])c(=O)n(C)c1=O	ZINC000588577134	793250336	/nfs/dbraw/zinc/25/03/36/793250336.db2.gz	REUYEYVJWADHSP-ARJAWSKDSA-N	-1	0	292.316	0.747	20	30		CCEDRM
C#C[C@@H](C)N(C)c1nnc(-c2cc(=O)[nH][n-]2)n1CC=C	ZINC001121662956	799063900	/nfs/dbraw/zinc/06/39/00/799063900.db2.gz	JDUXHZSKYOQRFO-SECBINFHSA-N	-1	0	272.312	0.146	20	30		CCEDRM
C=CCN(C)c1nnc(-c2cc(=O)[nH][n-]2)n1CC1CC1	ZINC001123589008	799436743	/nfs/dbraw/zinc/43/67/43/799436743.db2.gz	KZSFSIZAJATOGP-UHFFFAOYSA-N	-1	0	274.328	0.534	20	30		CCEDRM
N#CCc1ccnc(NC(=O)CCc2nnn[n-]2)c1	ZINC001149720213	800294506	/nfs/dbraw/zinc/29/45/06/800294506.db2.gz	DXEBYHVVASNQCH-UHFFFAOYSA-N	-1	0	257.257	0.232	20	30		CCEDRM
C=C[C@H](C)NC(=O)c1cc(S(N)(=O)=O)ccc1[O-]	ZINC001150695046	800359940	/nfs/dbraw/zinc/35/99/40/800359940.db2.gz	FDIJUKYJPNQYLC-ZETCQYMHSA-N	-1	0	270.310	0.344	20	30		CCEDRM
C=C[C@@H](CO)NC(=O)c1sc(C(=O)[O-])c2c1OCCO2	ZINC001152714386	800549628	/nfs/dbraw/zinc/54/96/28/800549628.db2.gz	VYBDPYCUMMPZFH-LURJTMIESA-N	-1	0	299.304	0.494	20	30		CCEDRM
COc1nc(N[C@H]2SC(=O)[N-]C2=O)ncc1C#N	ZINC001155836110	801061380	/nfs/dbraw/zinc/06/13/80/801061380.db2.gz	BURUPTLZBFHCMI-ZETCQYMHSA-N	-1	0	265.254	0.078	20	30		CCEDRM
CC(C)(C)[C@H](C#N)NC(=O)c1cccc(-n2[n-]nnc2=N)c1	ZINC001157016875	801287929	/nfs/dbraw/zinc/28/79/29/801287929.db2.gz	FZUTVWSBPCHMDP-NSHDSACASA-N	-1	0	299.338	0.743	20	30		CCEDRM
C=C(C)C(=O)OCCNc1nccnc1CC(=O)[O-]	ZINC001157308789	801350737	/nfs/dbraw/zinc/35/07/37/801350737.db2.gz	ZKXFVIAJOCYHME-UHFFFAOYSA-N	-1	0	265.269	0.635	20	30		CCEDRM
C=CCS(=O)(=O)[N-]c1ncnc2c1ncn2C	ZINC001259922722	808804608	/nfs/dbraw/zinc/80/46/08/808804608.db2.gz	GIHRNLCPMUAECY-UHFFFAOYSA-N	-1	0	253.287	0.291	20	30		CCEDRM
COCCS(=O)(=O)[N-]c1ncc(C#N)nc1C	ZINC001259966143	808829043	/nfs/dbraw/zinc/82/90/43/808829043.db2.gz	MWIMBCOEXKBJAP-UHFFFAOYSA-N	-1	0	256.287	0.045	20	30		CCEDRM
COCCS(=O)(=O)[N-]c1c(C)ccnc1C#N	ZINC001259966710	808829936	/nfs/dbraw/zinc/82/99/36/808829936.db2.gz	SNSNOHJPUJWDHC-UHFFFAOYSA-N	-1	0	255.299	0.650	20	30		CCEDRM
N#Cc1ccnc(N[C@H]2SC(=O)[N-]C2=O)c1[N+](=O)[O-]	ZINC001163667202	802587312	/nfs/dbraw/zinc/58/73/12/802587312.db2.gz	ZENPIMXHYOVIBN-QMMMGPOBSA-N	-1	0	279.237	0.582	20	30		CCEDRM
N#Cc1ccc(C(=O)N2CC[C@H](c3nnn[n-]3)C2)cc1	ZINC000720620922	803771052	/nfs/dbraw/zinc/77/10/52/803771052.db2.gz	KWVMOZWAWTWVER-NSHDSACASA-N	-1	0	268.280	0.701	20	30		CCEDRM
C=CCOCCNS(=O)(=O)[C@@H]1CCCC[C@H]1C(=O)[O-]	ZINC001465114180	804139285	/nfs/dbraw/zinc/13/92/85/804139285.db2.gz	DIXGGDUJVJBRBJ-GHMZBOCLSA-N	-1	0	291.369	0.752	20	30		CCEDRM
C=CCOCCNS(=O)(=O)[C@H]1CCCC[C@@H]1C(=O)[O-]	ZINC001465114182	804139338	/nfs/dbraw/zinc/13/93/38/804139338.db2.gz	DIXGGDUJVJBRBJ-QWRGUYRKSA-N	-1	0	291.369	0.752	20	30		CCEDRM
C#CCN(Cc1ccco1)S(=O)(=O)[C@H]1CC[C@H]1C(=O)[O-]	ZINC001465116820	804167068	/nfs/dbraw/zinc/16/70/68/804167068.db2.gz	ASSNWZYORYKWMS-NEPJUHHUSA-N	-1	0	297.332	0.908	20	30		CCEDRM
N#CCc1ccc(S(=O)(=O)NC/C=C/C(=O)[O-])cc1	ZINC000311912479	804290494	/nfs/dbraw/zinc/29/04/94/804290494.db2.gz	AEFOCRXCAQUMHZ-OWOJBTEDSA-N	-1	0	280.305	0.672	20	30		CCEDRM
C=CCOC[C@@H](CS(=O)(=O)[O-])Oc1cncnc1	ZINC001225460093	805132340	/nfs/dbraw/zinc/13/23/40/805132340.db2.gz	PMEUKERHEULAQI-JTQLQIEISA-N	-1	0	274.298	0.314	20	30		CCEDRM
C=CCOC[C@H](CS(=O)(=O)[O-])Oc1ccc(C)nn1	ZINC001225646669	805147385	/nfs/dbraw/zinc/14/73/85/805147385.db2.gz	ZXVPBPZZPOYBTM-SNVBAGLBSA-N	-1	0	288.325	0.623	20	30		CCEDRM
N#C[C@@H](Oc1c([O-])c(=O)c(=O)c1=O)c1cccc(F)c1	ZINC001225832682	805168660	/nfs/dbraw/zinc/16/86/60/805168660.db2.gz	ODTWMDHMTGIXOP-MRVPVSSYSA-N	-1	0	275.191	0.131	20	30		CCEDRM
C#C[C@H](Oc1[n-]c(=O)ncc1[N+](=O)[O-])C(=O)OCC	ZINC001226336868	805221197	/nfs/dbraw/zinc/22/11/97/805221197.db2.gz	RUCZPZXQDCVOEA-ZETCQYMHSA-N	-1	0	267.197	0.034	20	30		CCEDRM
C[C@@H](Oc1[n-]c(=O)nc2c(=O)[n-]c(=O)[nH]c21)[C@H](C)S	ZINC001226885853	805289917	/nfs/dbraw/zinc/28/99/17/805289917.db2.gz	JNTLEIGNAJNOPY-DMTCNVIQSA-N	-1	0	284.297	0.622	20	30		CCEDRM
C=C[C@H](CC)Oc1[n-]c(=O)nc2c(=O)[n-]c(=O)[nH]c21	ZINC001226887130	805291362	/nfs/dbraw/zinc/29/13/62/805291362.db2.gz	BESSXZBKTRQUDL-RXMQYKEDSA-N	-1	0	264.241	0.880	20	30		CCEDRM
N#Cc1ccc(O)cc1OC(=O)[C@@H](O)CC(=O)[O-]	ZINC001228005957	805407447	/nfs/dbraw/zinc/40/74/47/805407447.db2.gz	UPNMAVLRXSXZJA-QMMMGPOBSA-N	-1	0	251.194	0.005	20	30		CCEDRM
N#Cc1c(F)cc(OC(=O)[C@H](O)CC(=O)[O-])cc1F	ZINC001228220461	805423070	/nfs/dbraw/zinc/42/30/70/805423070.db2.gz	CUHUSWXEGWISRV-SECBINFHSA-N	-1	0	271.175	0.577	20	30		CCEDRM
C=CCOC[C@H](CS(=O)(=O)[O-])OCC(=O)OCC	ZINC001204708573	815074264	/nfs/dbraw/zinc/07/42/64/815074264.db2.gz	LPZZUCAFEHNENV-SECBINFHSA-N	-1	0	282.314	0.025	20	30		CCEDRM
C#C[C@@H](Oc1[n-]c(=O)nc2ncn(C)c21)C(=O)OCC	ZINC001228673050	805467324	/nfs/dbraw/zinc/46/73/24/805467324.db2.gz	DXAGLPMEDKQFPB-SSDOTTSWSA-N	-1	0	276.252	0.013	20	30		CCEDRM
C=CCOC[C@@H](CS(=O)(=O)[O-])Oc1ccc[n+]([O-])c1	ZINC001229324893	805521813	/nfs/dbraw/zinc/52/18/13/805521813.db2.gz	KPGJNSVXFXDKLZ-NSHDSACASA-N	-1	0	289.309	0.158	20	30		CCEDRM
C=CCCOCC(=O)[N-]S(=O)(=O)c1ccccc1C#N	ZINC001251275558	807678100	/nfs/dbraw/zinc/67/81/00/807678100.db2.gz	IZZYBAPBRXOUPK-UHFFFAOYSA-N	-1	0	294.332	0.956	20	30		CCEDRM
Cc1[nH]nc(C(=O)N(CCN(C)CC#N)C(C)C)c1[O-]	ZINC001278904541	808449600	/nfs/dbraw/zinc/44/96/00/808449600.db2.gz	NULVIIAICKGOJW-UHFFFAOYSA-N	-1	0	279.344	0.730	20	30		CCEDRM
Cn1ncc([N-]S(=O)(=O)c2ccccc2C#N)c1C#N	ZINC001258207847	808664319	/nfs/dbraw/zinc/66/43/19/808664319.db2.gz	BLYVYPDOTCLVBC-UHFFFAOYSA-N	-1	0	287.304	0.964	20	30		CCEDRM
N#Cc1ncc([N-]S(=O)(=O)c2cccnc2)cn1	ZINC001259602689	808762298	/nfs/dbraw/zinc/76/22/98/808762298.db2.gz	PJAXWPLUTBIPML-UHFFFAOYSA-N	-1	0	261.266	0.544	20	30		CCEDRM
C=CCS(=O)(=O)[N-]c1ncnc(OC)c1C#N	ZINC001259923411	808805437	/nfs/dbraw/zinc/80/54/37/808805437.db2.gz	ITWSUEHIWSBLPD-UHFFFAOYSA-N	-1	0	254.271	0.285	20	30		CCEDRM
COCCS(=O)(=O)[N-]c1ccc(O)cc1C#N	ZINC001259972082	808832848	/nfs/dbraw/zinc/83/28/48/808832848.db2.gz	NRZDEUIXNPSZTH-UHFFFAOYSA-N	-1	0	256.283	0.652	20	30		CCEDRM
C[C@@H](CCNS(=O)(=O)c1ccc(C#N)nc1)C(=O)[O-]	ZINC000159665947	815262386	/nfs/dbraw/zinc/26/23/86/815262386.db2.gz	RKXPXSJGYMZZNG-QMMMGPOBSA-N	-1	0	283.309	0.342	20	30		CCEDRM
C#CCCCCC(=O)NCC[C@H](C)NC(=O)c1cn[nH]n1	ZINC001076212604	815259185	/nfs/dbraw/zinc/25/91/85/815259185.db2.gz	OKCYUWVSRLCEPE-NSHDSACASA-N	-1	0	291.355	0.623	20	30		CCEDRM
C=CC[C@@H](NC(=O)[C@H]1CCc2c[nH]nc2C1)C(=O)[O-]	ZINC001262177394	809222621	/nfs/dbraw/zinc/22/26/21/809222621.db2.gz	STQQCDXVLJQSLE-WCBMZHEXSA-N	-1	0	263.297	0.660	20	30		CCEDRM
Cn1c(=O)[n-]c(N2CC[C@@H](C3CC3)C2)c(C#N)c1=O	ZINC001262688970	809395213	/nfs/dbraw/zinc/39/52/13/809395213.db2.gz	KGOVNOINBZJQBW-SECBINFHSA-N	-1	0	260.297	0.182	20	30		CCEDRM
C=CCC[C@@H]1CCCN1C(=O)NCC(=O)[N-]OC	ZINC001263179177	809472590	/nfs/dbraw/zinc/47/25/90/809472590.db2.gz	HEBFOECATDWLOD-SNVBAGLBSA-N	-1	0	255.318	0.804	20	30		CCEDRM
C=CCOCCNC(=O)N(CC(=O)[O-])CC(F)(F)F	ZINC000388711447	809665791	/nfs/dbraw/zinc/66/57/91/809665791.db2.gz	VBQHQDDDHMZHPI-UHFFFAOYSA-N	-1	0	284.234	0.848	20	30		CCEDRM
Cc1c(C)c(OC(=O)[C@H](O)CC(=O)[O-])ccc1C#N	ZINC001225513198	812949770	/nfs/dbraw/zinc/94/97/70/812949770.db2.gz	LJWWDQYFRKVWMA-SNVBAGLBSA-N	-1	0	263.249	0.916	20	30		CCEDRM
C=C[C@H](Oc1[n-]c(=O)nc2nccnc21)C(=O)OC	ZINC001226989470	814234431	/nfs/dbraw/zinc/23/44/31/814234431.db2.gz	KATVVBDNINLURO-LURJTMIESA-N	-1	0	262.225	0.232	20	30		CCEDRM
C[C@H]1C[C@@H](Nc2[n-]c(=O)n(C)c(=O)c2C#N)CS1	ZINC001120857104	816244362	/nfs/dbraw/zinc/24/43/62/816244362.db2.gz	QSHCTOLDAYIYHK-NKWVEPMBSA-N	-1	0	266.326	0.251	20	30		CCEDRM
Cn1cc(C(=O)C(=O)Nc2cc(C#N)ccc2[O-])cn1	ZINC000176402275	816470110	/nfs/dbraw/zinc/47/01/10/816470110.db2.gz	WCKOELDSDDWGRZ-UHFFFAOYSA-N	-1	0	270.248	0.819	20	30		CCEDRM
CC(C)NC(=O)C(C#N)=C([O-])c1cn2c(n1)COCC2	ZINC001122428106	816694241	/nfs/dbraw/zinc/69/42/41/816694241.db2.gz	UFAAKPCYHFGRSP-VIFPVBQESA-N	-1	0	276.296	0.260	20	30		CCEDRM
Cc1nc2c(nccc2C(=O)N=c2[nH][n-]c(C)c2C#N)[nH]1	ZINC000357247676	818082815	/nfs/dbraw/zinc/08/28/15/818082815.db2.gz	VBVSVOHGSRMFLK-UHFFFAOYSA-N	-1	0	281.279	0.844	20	30		CCEDRM
C#CCN1C[C@@H](C)[C@H](NC(=O)c2[nH]nc(C)c2[O-])C1	ZINC001079577654	820429773	/nfs/dbraw/zinc/42/97/73/820429773.db2.gz	KYFIYFNWIWUTPY-PSASIEDQSA-N	-1	0	262.313	0.107	20	30		CCEDRM
C#CCSCC(=O)[N-]S(=O)(=O)[C@H]1COC(C)(C)C1	ZINC001119496333	821345069	/nfs/dbraw/zinc/34/50/69/821345069.db2.gz	MMRDHYMBVJTOMN-SECBINFHSA-N	-1	0	291.394	0.366	20	30		CCEDRM
C#CCN1CC[C@@H]1CN(C)C(=O)c1n[nH]c(C)c1[O-]	ZINC001085550027	821781306	/nfs/dbraw/zinc/78/13/06/821781306.db2.gz	JNNAHNZMKPUITK-SNVBAGLBSA-N	-1	0	262.313	0.203	20	30		CCEDRM
Cc1n[nH]c(C(=O)NC[C@H]2C[C@H](NCC#N)C2)c1[O-]	ZINC001086341814	822217144	/nfs/dbraw/zinc/21/71/44/822217144.db2.gz	JOWYKOKRMXPRFR-KYZUINATSA-N	-1	0	263.301	0.045	20	30		CCEDRM
C=CC[C@H](Nc1cccc(S(=O)(=O)[O-])n1)C(=O)OC	ZINC001169837158	836455577	/nfs/dbraw/zinc/45/55/77/836455577.db2.gz	YAVYXOLWQBGSBM-QMMMGPOBSA-N	-1	0	286.309	0.858	20	30		CCEDRM
C[C@@H](CNc1ccc(C#N)nn1)NC(=O)c1cnc[nH]c1=O	ZINC001108587295	836480779	/nfs/dbraw/zinc/48/07/79/836480779.db2.gz	VSWDTEICQUSSPG-QMMMGPOBSA-N	-1	0	299.294	0.074	20	30		CCEDRM
COC(=O)n1ncc(C#N)c1[N-]c1nccnc1[N+](=O)[O-]	ZINC001169962807	836491382	/nfs/dbraw/zinc/49/13/82/836491382.db2.gz	ZIXKOIBTVCCOAD-UHFFFAOYSA-N	-1	0	289.211	0.811	20	30		CCEDRM
C[C@]1(CO)CCN(C(=O)CCC(=O)C2=CC=C[CH]2)C[C@H]1O	ZINC001184244656	844187783	/nfs/dbraw/zinc/18/77/83/844187783.db2.gz	KRSKUIAPROXZFV-GDBMZVCRSA-N	-1	0	292.355	0.628	20	30		CCEDRM
CC(C)(CNC(=O)CCC(=O)C1=CC=C[CH]1)C(N)=O	ZINC001184244881	844187796	/nfs/dbraw/zinc/18/77/96/844187796.db2.gz	WZJWDCQBKBGOLO-UHFFFAOYSA-N	-1	0	263.317	0.664	20	30		CCEDRM
CC(=O)N1CC(NC(=O)CCC(=O)C2=CC=C[CH]2)C1	ZINC001184246109	844188508	/nfs/dbraw/zinc/18/85/08/844188508.db2.gz	LKJQMVLFKGFTTP-UHFFFAOYSA-N	-1	0	261.301	0.383	20	30		CCEDRM
C[C@@H](NC(=O)c1cn[nH]n1)[C@H](C)Nc1ccc(C#N)nc1	ZINC001113356265	837095453	/nfs/dbraw/zinc/09/54/53/837095453.db2.gz	DJUXLTAJBLQLBY-DTWKUNHWSA-N	-1	0	285.311	0.690	20	30		CCEDRM
CCOC(=O)[C@@H](C#N)Nc1ccc(C(=O)[O-])nn1	ZINC001170368482	837313361	/nfs/dbraw/zinc/31/33/61/837313361.db2.gz	NPBWUTUECGFGCR-SSDOTTSWSA-N	-1	0	250.214	0.042	20	30		CCEDRM
Cc1ccc(S(=O)(=O)N[C@H](C)C#N)cc1C(=O)[O-]	ZINC001184721804	844277840	/nfs/dbraw/zinc/27/78/40/844277840.db2.gz	ZIHSZTDFCFPQBS-MRVPVSSYSA-N	-1	0	268.294	0.884	20	30		CCEDRM
N#C[C@H](Nc1cc(Br)cc(C(=O)[O-])c1)C(N)=O	ZINC001170535725	837982124	/nfs/dbraw/zinc/98/21/24/837982124.db2.gz	JFGZXYRAPXXRNL-QMMMGPOBSA-N	-1	0	298.096	0.937	20	30		CCEDRM
N#Cc1cnc([N-]S(=O)(=O)c2cnc(Cl)nc2)cn1	ZINC001184996094	844324788	/nfs/dbraw/zinc/32/47/88/844324788.db2.gz	NKWHNVBYTJBITM-UHFFFAOYSA-N	-1	0	296.699	0.592	20	30		CCEDRM
COc1ccc(S(=O)(=O)N[C@H](C)C#N)cc1C(=O)[O-]	ZINC001185331482	844404361	/nfs/dbraw/zinc/40/43/61/844404361.db2.gz	HRHYDXGUFIBYCO-SSDOTTSWSA-N	-1	0	284.293	0.584	20	30		CCEDRM
CC(=O)N[C@@H](CS)C(=O)Nc1cc(=O)[n-]c(Cl)n1	ZINC001144402226	840037623	/nfs/dbraw/zinc/03/76/23/840037623.db2.gz	IPFGKKZBNPHUFL-YFKPBYRVSA-N	-1	0	290.732	0.209	20	30		CCEDRM
COC(=O)Cc1ccc(NC(=N[O-])c2nonc2N)cc1	ZINC001212615178	840234682	/nfs/dbraw/zinc/23/46/82/840234682.db2.gz	LEVIYPWCRSXKNA-UHFFFAOYSA-N	-1	0	291.267	0.615	20	30		CCEDRM
C=CCN(CC(F)(F)F)C(=O)[C@H](OC)C(=O)[O-]	ZINC000713258245	841126980	/nfs/dbraw/zinc/12/69/80/841126980.db2.gz	DRUBIXZJZMFWJS-LURJTMIESA-N	-1	0	255.192	0.663	20	30		CCEDRM
N#Cc1ccc(N2CC[C@@H](c3cc(=O)[nH][nH]3)C2)nn1	ZINC001186905645	844619080	/nfs/dbraw/zinc/61/90/80/844619080.db2.gz	JXQHVJIXGUDGTR-MRVPVSSYSA-N	-1	0	256.269	0.771	20	30		CCEDRM
N#Cc1ccc(OCC(=O)NC[C@H]2C[C@H]2C(=O)[O-])cc1	ZINC000715274463	841292582	/nfs/dbraw/zinc/29/25/82/841292582.db2.gz	CGNIRAOWMMRSFG-ZYHUDNBSSA-N	-1	0	274.276	0.774	20	30		CCEDRM
C[C@@H](Cc1ccc(C#N)cc1)NCS(=O)(=O)[O-]	ZINC001172302143	841916026	/nfs/dbraw/zinc/91/60/26/841916026.db2.gz	FAYFLUMIKHBPSI-VIFPVBQESA-N	-1	0	254.311	0.924	20	30		CCEDRM
CC(=O)NCc1ccc(NC(=N[O-])c2nonc2N)cc1	ZINC001174232413	842172312	/nfs/dbraw/zinc/17/23/12/842172312.db2.gz	PSNLMJUGSWLPRD-UHFFFAOYSA-N	-1	0	290.283	0.536	20	30		CCEDRM
N#CCc1cccc(NC(=O)c2c[n-]n3c2nccc3=O)n1	ZINC001175838383	842283516	/nfs/dbraw/zinc/28/35/16/842283516.db2.gz	PYDQFNQSFLSLDU-UHFFFAOYSA-N	-1	0	294.274	0.736	20	30		CCEDRM
N#Cc1cc(CC(=O)NCCCC[P@](=O)([O-])O)ccn1	ZINC001177672152	842648056	/nfs/dbraw/zinc/64/80/56/842648056.db2.gz	BQGJXMDTKSUYGW-UHFFFAOYSA-N	-1	0	297.251	0.570	20	30		CCEDRM
C=CCOC[C@H](CS(=O)(=O)[O-])O[C@H](C)C(=O)OCC	ZINC001204260541	843101118	/nfs/dbraw/zinc/10/11/18/843101118.db2.gz	QZMYGZDMBGJSGA-NXEZZACHSA-N	-1	0	296.341	0.414	20	30		CCEDRM
N=C(c1nonc1N)N([O-])C(=O)[C@@H](F)c1ccccc1	ZINC001180141513	843106408	/nfs/dbraw/zinc/10/64/08/843106408.db2.gz	YDAWQRRKQOZYJC-ZETCQYMHSA-N	-1	0	279.231	0.906	20	30		CCEDRM
C=CCN1CCN(C(=O)C(F)(F)C(F)(F)C(=O)[O-])CC1	ZINC001180171859	843109210	/nfs/dbraw/zinc/10/92/10/843109210.db2.gz	CTNVQDFHUUADNH-UHFFFAOYSA-N	-1	0	298.236	0.672	20	30		CCEDRM
CC(=O)OCC(=O)Nc1cc(C#N)c(F)cc1[O-]	ZINC001181406291	843490214	/nfs/dbraw/zinc/49/02/14/843490214.db2.gz	GBFOQACRXDEEFH-UHFFFAOYSA-N	-1	0	252.201	0.905	20	30		CCEDRM
COc1ccc(C#CC(=O)NCc2n[nH]c(=O)[n-]2)cc1	ZINC001182049241	843698103	/nfs/dbraw/zinc/69/81/03/843698103.db2.gz	BLNDCXDJXWEUDO-UHFFFAOYSA-N	-1	0	272.264	0.187	20	30		CCEDRM
N#Cc1cc(NC(=O)CN2CCC(=O)C2)c([O-])cc1F	ZINC001187330314	844696778	/nfs/dbraw/zinc/69/67/78/844696778.db2.gz	FECQOHJHSWPWCB-UHFFFAOYSA-N	-1	0	277.255	0.616	20	30		CCEDRM
N#C[C@@H](NC(=O)c1ccc([O-])c(C(F)(F)F)c1)C(N)=O	ZINC001188588269	844927713	/nfs/dbraw/zinc/92/77/13/844927713.db2.gz	LIZYMGDVSAQNSK-SSDOTTSWSA-N	-1	0	287.197	0.518	20	30		CCEDRM
Cc1nc(C#N)cnc1[N-]S(=O)(=O)CC1CC1	ZINC001188936995	845000071	/nfs/dbraw/zinc/00/00/71/845000071.db2.gz	GCWZZKQXCWUBQO-UHFFFAOYSA-N	-1	0	252.299	0.808	20	30		CCEDRM
C#Cc1cnc([N-]S(=O)(=O)CC2CC2)c(C#C)n1	ZINC001188937759	845000700	/nfs/dbraw/zinc/00/07/00/845000700.db2.gz	USUUZCPYZUDVDY-UHFFFAOYSA-N	-1	0	261.306	0.591	20	30		CCEDRM
N#CC1([N-]S(=O)(=O)c2ncc(F)cc2F)CC1	ZINC001190189499	845347646	/nfs/dbraw/zinc/34/76/46/845347646.db2.gz	GWVWRIGZYODGGY-UHFFFAOYSA-N	-1	0	259.237	0.694	20	30		CCEDRM
N#C[C@@H]1C[C@H]2CC[C@@H](C1)N2S(=O)(=O)c1ncc[n-]1	ZINC001190707892	845459022	/nfs/dbraw/zinc/45/90/22/845459022.db2.gz	PSABRSISVPKOME-OWUUHHOZSA-N	-1	0	266.326	0.865	20	30		CCEDRM
N#Cc1cnc2ccnn2c1[N-]S(=O)(=O)c1ncc[nH]1	ZINC001190689670	845466371	/nfs/dbraw/zinc/46/63/71/845466371.db2.gz	NKOJDUVRXACZKI-UHFFFAOYSA-N	-1	0	289.280	0.125	20	30		CCEDRM
C=CCC1(S(=O)(=O)[N-][C@@H](C#N)C(=O)OCC)CC1	ZINC001190832731	845514610	/nfs/dbraw/zinc/51/46/10/845514610.db2.gz	GEDFZDUHKUEBRC-VIFPVBQESA-N	-1	0	272.326	0.470	20	30		CCEDRM
N#Cc1cc(NC(=O)c2ncc[nH]c2=O)c([O-])cc1F	ZINC001191513375	845670959	/nfs/dbraw/zinc/67/09/59/845670959.db2.gz	RTUISAHPQQFZDP-UHFFFAOYSA-N	-1	0	274.211	0.739	20	30		CCEDRM
N#CCS(=O)(=O)[N-]c1cccc2nnsc21	ZINC001192982809	845945086	/nfs/dbraw/zinc/94/50/86/845945086.db2.gz	YWCHSFZJCUOJPQ-UHFFFAOYSA-N	-1	0	254.296	0.957	20	30		CCEDRM
N#CCS(=O)(=O)[N-]c1cc(C(F)(F)F)no1	ZINC001192935009	845940859	/nfs/dbraw/zinc/94/08/59/845940859.db2.gz	HDZWBRLOMYWPPS-UHFFFAOYSA-N	-1	0	255.177	0.959	20	30		CCEDRM
COC(=O)c1cnc([N-]S(=O)(=O)CC#N)c(Cl)c1	ZINC001192939683	845943351	/nfs/dbraw/zinc/94/33/51/845943351.db2.gz	VXOINFQQPIHUMZ-UHFFFAOYSA-N	-1	0	289.700	0.787	20	30		CCEDRM
CC1(C)CNC(=O)c2cc([N-]S(=O)(=O)CC#N)ccc21	ZINC001192986353	845944438	/nfs/dbraw/zinc/94/44/38/845944438.db2.gz	ZAYKXZONBNPMPA-UHFFFAOYSA-N	-1	0	293.348	0.973	20	30		CCEDRM
COC(=O)[C@H](NS(=O)(=O)CC#N)c1ccc(OC)cc1	ZINC001192987832	845947088	/nfs/dbraw/zinc/94/70/88/845947088.db2.gz	KDEUSWFSQOLHDN-LLVKDONJSA-N	-1	0	298.320	0.352	20	30		CCEDRM
Cn1ncc2cccc([N-]S(=O)(=O)CC#N)c21	ZINC001192978978	845961466	/nfs/dbraw/zinc/96/14/66/845961466.db2.gz	RIMREULIVAGRCS-UHFFFAOYSA-N	-1	0	250.283	0.839	20	30		CCEDRM
COC(=O)c1ccc([N-]S(=O)(=O)[C@@H](C)C#N)o1	ZINC001193104196	845978208	/nfs/dbraw/zinc/97/82/08/845978208.db2.gz	GLPWEODHZCQTOB-LURJTMIESA-N	-1	0	258.255	0.720	20	30		CCEDRM
C[C@@H](C#N)S(=O)(=O)[N-]c1ncnc2c1cnn2C	ZINC001193104715	845979508	/nfs/dbraw/zinc/97/95/08/845979508.db2.gz	MGGBHPROGABYGS-LURJTMIESA-N	-1	0	266.286	0.017	20	30		CCEDRM
CCOC(=O)Cc1ncc([N-]S(=O)(=O)[C@@H](C)C#N)cn1	ZINC001193106002	845979975	/nfs/dbraw/zinc/97/99/75/845979975.db2.gz	ALIDYBAOWJGKFX-QMMMGPOBSA-N	-1	0	298.324	0.236	20	30		CCEDRM
COC(=O)/C=C/c1cccc([N-]S(=O)(=O)[C@@H](C)C#N)n1	ZINC001193112291	845981546	/nfs/dbraw/zinc/98/15/46/845981546.db2.gz	QHGULJFQRAVBQE-UCUJLANTSA-N	-1	0	295.320	0.922	20	30		CCEDRM
C[C@@H](C#N)S(=O)(=O)[N-]c1ccc(F)cc1C(N)=O	ZINC001193150262	846005959	/nfs/dbraw/zinc/00/59/59/846005959.db2.gz	DHLQOCYDIIWKAH-LURJTMIESA-N	-1	0	271.273	0.578	20	30		CCEDRM
COc1cc(CO)ccc1[N-]S(=O)(=O)[C@@H](C)C#N	ZINC001193149373	846006717	/nfs/dbraw/zinc/00/67/17/846006717.db2.gz	NQEGBMDKMOXEFL-QMMMGPOBSA-N	-1	0	270.310	0.841	20	30		CCEDRM
C[C@H](C#N)S(=O)(=O)[N-]c1cccc(CO)c1F	ZINC001193151179	846007039	/nfs/dbraw/zinc/00/70/39/846007039.db2.gz	OBQLHBKEKOPEMK-SSDOTTSWSA-N	-1	0	258.274	0.972	20	30		CCEDRM
C[C@H](C#N)S(=O)(=O)[N-]c1cccc2c1CNC(=O)N2	ZINC001193158323	846008789	/nfs/dbraw/zinc/00/87/89/846008789.db2.gz	NUYWBRUFCBJCEM-SSDOTTSWSA-N	-1	0	280.309	0.975	20	30		CCEDRM
COc1ncnc([N-]S(=O)(=O)C[C@@H]2CCCO2)c1C#N	ZINC001193212239	846022303	/nfs/dbraw/zinc/02/23/03/846022303.db2.gz	BMZWTKWPMYGRNI-QMMMGPOBSA-N	-1	0	298.324	0.278	20	30		CCEDRM
Cn1cnc([N-]S(=O)(=O)CC2CCC2)c1C#N	ZINC001193480058	846090728	/nfs/dbraw/zinc/09/07/28/846090728.db2.gz	QJDMIVJQFVKTLD-UHFFFAOYSA-N	-1	0	254.315	0.834	20	30		CCEDRM
N#Cc1cc(C(=O)N[C@H]2C=CS(=O)(=O)C2)ccc1[O-]	ZINC001193511675	846101953	/nfs/dbraw/zinc/10/19/53/846101953.db2.gz	FWMIGDGOHGIFLC-JTQLQIEISA-N	-1	0	278.289	0.304	20	30		CCEDRM
N#Cc1cccc(C(=O)N2CC[C@@H](O)[C@H](CO)C2)c1[O-]	ZINC001193642768	846135753	/nfs/dbraw/zinc/13/57/53/846135753.db2.gz	PFZGJKQREGAUED-CMPLNLGQSA-N	-1	0	276.292	0.079	20	30		CCEDRM
CC(C)[C@@](C)(NC(=O)c1cccc(C#N)c1[O-])C(N)=O	ZINC001193658107	846140499	/nfs/dbraw/zinc/14/04/99/846140499.db2.gz	SUGOKICQLWWNJW-CQSZACIVSA-N	-1	0	275.308	0.894	20	30		CCEDRM
CC(C)C[C@H](NC(=O)c1cccc(C#N)c1[O-])C(=O)NO	ZINC001193660265	846140554	/nfs/dbraw/zinc/14/05/54/846140554.db2.gz	WNKYEXREZMYYHP-NSHDSACASA-N	-1	0	291.307	0.914	20	30		CCEDRM
C=C[C@@H]1C[C@@]1(NC(=O)c1cc(=O)n(C)[n-]1)C(=O)OCC	ZINC001194212548	846242680	/nfs/dbraw/zinc/24/26/80/846242680.db2.gz	SZMGDYUFNCYOSX-OQPBUACISA-N	-1	0	279.296	0.363	20	30		CCEDRM
N#Cc1cncc([N-]S(=O)(=O)c2ccc(O)cc2)n1	ZINC001195767036	846615660	/nfs/dbraw/zinc/61/56/60/846615660.db2.gz	WSRBWYKWHCCHEF-UHFFFAOYSA-N	-1	0	276.277	0.855	20	30		CCEDRM
N#C[C@H](NC(=S)Nc1ccc(C(=O)[O-])cc1)C(N)=O	ZINC001197137927	846840996	/nfs/dbraw/zinc/84/09/96/846840996.db2.gz	ZAHHDQSIRZXGCH-QMMMGPOBSA-N	-1	0	278.293	0.049	20	30		CCEDRM
N#Cc1cncc([N-]S(=O)(=O)Cc2ccccn2)n1	ZINC001197782190	846962296	/nfs/dbraw/zinc/96/22/96/846962296.db2.gz	GMXVJRCFBUAZGN-UHFFFAOYSA-N	-1	0	275.293	0.685	20	30		CCEDRM
Cc1ccc(S(=O)(=O)[N-]c2cn(C)nc2C#N)cn1	ZINC001198276654	847077533	/nfs/dbraw/zinc/07/75/33/847077533.db2.gz	ULCLNYIDXPMZBO-UHFFFAOYSA-N	-1	0	277.309	0.796	20	30		CCEDRM
N#Cc1cnc(C(=O)Nc2ccccc2-c2nn[nH]n2)cn1	ZINC001199665040	847388616	/nfs/dbraw/zinc/38/86/16/847388616.db2.gz	DVBHMZLGHWTFAE-UHFFFAOYSA-N	-1	0	292.262	0.781	20	30		CCEDRM
C#CCOc1cc(F)ccc1NC(=O)NCC(=O)[N-]OC	ZINC001201314707	847764509	/nfs/dbraw/zinc/76/45/09/847764509.db2.gz	PZBRGWDPDJSHRP-UHFFFAOYSA-N	-1	0	295.270	0.637	20	30		CCEDRM
Nc1nonc1C(=N[O-])Nc1ccc(CCO)cc1	ZINC001212925902	849353804	/nfs/dbraw/zinc/35/38/04/849353804.db2.gz	ZFUREFQCZSUEHB-UHFFFAOYSA-N	-1	0	263.257	0.435	20	30		CCEDRM
COC(=O)CS(=O)(=O)[N-]c1c(F)cc(C#N)cc1F	ZINC001259025328	850860902	/nfs/dbraw/zinc/86/09/02/850860902.db2.gz	RYOAXTJMURMUOE-UHFFFAOYSA-N	-1	0	290.247	0.751	20	30		CCEDRM
C=CCNC(=O)CNC(=O)c1c(C)[nH]c(C(=O)[O-])c1C	ZINC000393836603	850877445	/nfs/dbraw/zinc/87/74/45/850877445.db2.gz	LARVAMYGGPGLFH-UHFFFAOYSA-N	-1	0	279.296	0.362	20	30		CCEDRM
COC(=O)c1sc([N-]S(N)(=O)=O)c(C#N)c1C	ZINC001260074835	851973872	/nfs/dbraw/zinc/97/38/72/851973872.db2.gz	OUGNTUYPJVFBJY-UHFFFAOYSA-N	-1	0	275.311	0.330	20	30		CCEDRM
C#CC[C@@H](NC(=O)CCNC(=O)c1ccsc1)C(=O)[O-]	ZINC000149581703	853989172	/nfs/dbraw/zinc/98/91/72/853989172.db2.gz	YAFXXOOJWFVRGY-SNVBAGLBSA-N	-1	0	294.332	0.461	20	30		CCEDRM
C#CC[C@H](NC(=O)c1ccc(N(C)C)nc1)C(=O)[O-]	ZINC000149784940	853997842	/nfs/dbraw/zinc/99/78/42/853997842.db2.gz	ZBPYPWSLFCMNAD-JTQLQIEISA-N	-1	0	261.281	0.354	20	30		CCEDRM
C#CC[C@@H](NC(=O)COc1ccc(C)cc1)C(=O)[O-]	ZINC000149794029	853998336	/nfs/dbraw/zinc/99/83/36/853998336.db2.gz	ONERRLOUYUFVPI-GFCCVEGCSA-N	-1	0	261.277	0.967	20	30		CCEDRM
C#CC[C@@H](NC(=O)c1c(C)cc(C)[nH]c1=O)C(=O)[O-]	ZINC000149863514	854004372	/nfs/dbraw/zinc/00/43/72/854004372.db2.gz	VDIOAMNPMWJHBB-SECBINFHSA-N	-1	0	262.265	0.198	20	30		CCEDRM
C#CC[C@H](NC(=O)CCc1ccccc1O)C(=O)[O-]	ZINC000149859619	854004456	/nfs/dbraw/zinc/00/44/56/854004456.db2.gz	YSQYKWFICYLLJR-NSHDSACASA-N	-1	0	261.277	0.918	20	30		CCEDRM
C#CC[C@H](NC(=O)[C@H]1CS[C@]2(C)CCC(=O)N12)C(=O)[O-]	ZINC000149891831	854006299	/nfs/dbraw/zinc/00/62/99/854006299.db2.gz	OQNJJGUJMCPWOT-IGJMFERPSA-N	-1	0	296.348	0.033	20	30		CCEDRM
C=CCN(CC(=O)[O-])C(=O)N[C@@H]1C[C@H](C)O[C@@H]1C	ZINC000394990686	854273439	/nfs/dbraw/zinc/27/34/39/854273439.db2.gz	DULYJLNJKBINFW-IVZWLZJFSA-N	-1	0	256.302	0.835	20	30		CCEDRM
Cc1[nH]nc(C(=O)N2CC3(C2)CCN(CC#N)C3)c1[O-]	ZINC001072631466	854433348	/nfs/dbraw/zinc/43/33/48/854433348.db2.gz	ZYYATEFSLDJIOU-UHFFFAOYSA-N	-1	0	275.312	0.095	20	30		CCEDRM
C=CCN(CC(=O)[O-])C(=O)NCCO[C@@H]1CC1(F)F	ZINC000690691939	855581229	/nfs/dbraw/zinc/58/12/29/855581229.db2.gz	YJXCZDDHCVSHSI-MRVPVSSYSA-N	-1	0	278.255	0.693	20	30		CCEDRM
Cc1[n-]n(CCN2CCOCC2)c(=O)c1CCC#N	ZINC001115860717	855699892	/nfs/dbraw/zinc/69/98/92/855699892.db2.gz	ALSSNDYSBJOVOA-LBPRGKRZSA-N	-1	0	264.329	0.457	20	30		CCEDRM
N#CCCCCC(=O)[N-]S(=O)(=O)[C@@H]1CCOC1	ZINC001118378943	856280313	/nfs/dbraw/zinc/28/03/13/856280313.db2.gz	JSTHCDJERAQXCX-SECBINFHSA-N	-1	0	260.315	0.305	20	30		CCEDRM
C=CC[C@H](NC(=O)[C@@H](OC)[C@H]1CCOC1)C(=O)[O-]	ZINC001118544672	856334673	/nfs/dbraw/zinc/33/46/73/856334673.db2.gz	JBTTWJRUZDOGIE-GUBZILKMSA-N	-1	0	257.286	0.183	20	30		CCEDRM
C=CC1(S(=O)(=O)[N-]C(=O)c2ccnc(OC)c2)CC1	ZINC001119056587	856545268	/nfs/dbraw/zinc/54/52/68/856545268.db2.gz	SFNFERBKLRAQLK-UHFFFAOYSA-N	-1	0	282.321	0.868	20	30		CCEDRM
C=CC1(S(=O)(=O)[N-]C(=O)c2cn(C)nc2CC)CC1	ZINC001119055628	856545479	/nfs/dbraw/zinc/54/54/79/856545479.db2.gz	CUIOQTTZJXOAQW-UHFFFAOYSA-N	-1	0	283.353	0.761	20	30		CCEDRM
N#C[C@]1(C(=O)[N-]OC[C@H]2CCOC2)CCCOC1	ZINC001119255130	856600879	/nfs/dbraw/zinc/60/08/79/856600879.db2.gz	QMAUCSXUFTVVAG-CMPLNLGQSA-N	-1	0	254.286	0.391	20	30		CCEDRM
C=C[C@H]1CCCCN1C(=O)C(=O)N[C@H]1C[C@@H](C(=O)[O-])C1	ZINC001119337830	856641369	/nfs/dbraw/zinc/64/13/69/856641369.db2.gz	JYORDOBSNYQEKP-AXFHLTTASA-N	-1	0	280.324	0.533	20	30		CCEDRM
N#CCCCS(=O)(=O)[N-][C@@H](CCO)C(F)(F)F	ZINC001119436070	856684096	/nfs/dbraw/zinc/68/40/96/856684096.db2.gz	VTZYRXDCUYULTM-ZETCQYMHSA-N	-1	0	274.264	0.523	20	30		CCEDRM
N#Cc1cccc(NC(=O)C(=O)[N-]OC[C@H]2CCOC2)c1	ZINC001324447662	912850299	/nfs/dbraw/zinc/85/02/99/912850299.db2.gz	TYYMVEALCHVQAY-NSHDSACASA-N	-1	0	289.291	0.581	20	30		CCEDRM
C=CC[C@H]1CCN1C(=O)c1cccc(-n2[n-]nnc2=N)c1	ZINC000890549418	891417468	/nfs/dbraw/zinc/41/74/68/891417468.db2.gz	MDDZHORDQRSIOS-NSHDSACASA-N	-1	0	284.323	0.865	20	30		CCEDRM
CCOC(=O)CC[C@H](C)Nc1[n-]c(=O)n(C)c(=O)c1C#N	ZINC001365223197	895871613	/nfs/dbraw/zinc/87/16/13/895871613.db2.gz	DHTVAVDHKVZZBG-QMMMGPOBSA-N	-1	0	294.311	0.089	20	30		CCEDRM
CCOC(=O)CC[C@@H](C)Nc1[n-]c(=O)n(C)c(=O)c1C#N	ZINC001365223174	895874548	/nfs/dbraw/zinc/87/45/48/895874548.db2.gz	DHTVAVDHKVZZBG-MRVPVSSYSA-N	-1	0	294.311	0.089	20	30		CCEDRM
C=C(C)CO[N-]C(=O)C(=O)Nc1cc(C)n(CCC#N)n1	ZINC001326801444	914188174	/nfs/dbraw/zinc/18/81/74/914188174.db2.gz	XAXPXVKMMURUEP-UHFFFAOYSA-N	-1	0	291.311	0.668	20	30		CCEDRM
C[C@H](C#N)S(=O)(=O)[N-]C1=C(C#N)C(=O)CS1	ZINC001193107640	900032599	/nfs/dbraw/zinc/03/25/99/900032599.db2.gz	ZDDHHGWFYOTDIC-RXMQYKEDSA-N	-1	0	257.296	0.979	20	30		CCEDRM
C[C@H](C#N)S(=O)(=O)[N-]c1ccc(OC2COC2)nc1	ZINC001193107709	900033092	/nfs/dbraw/zinc/03/30/92/900033092.db2.gz	ZYCSCXZWYIIPON-MRVPVSSYSA-N	-1	0	283.309	0.513	20	30		CCEDRM
C[C@@H](C#N)S(=O)(=O)[N-]c1ccc(OC2COC2)nc1	ZINC001193107710	900033235	/nfs/dbraw/zinc/03/32/35/900033235.db2.gz	ZYCSCXZWYIIPON-QMMMGPOBSA-N	-1	0	283.309	0.513	20	30		CCEDRM
C=CCO[N-]C(=O)C(=O)Nc1ccn(C2CCOCC2)n1	ZINC001327216392	914424638	/nfs/dbraw/zinc/42/46/38/914424638.db2.gz	HYCXIGJUWDAJNT-UHFFFAOYSA-N	-1	0	294.311	0.407	20	30		CCEDRM
C=CCn1cc(C(=O)NC2(CC(=O)[O-])CCOCC2)nn1	ZINC001327430240	914540708	/nfs/dbraw/zinc/54/07/08/914540708.db2.gz	SOYBZHLWWHPLHT-UHFFFAOYSA-N	-1	0	294.311	0.218	20	30		CCEDRM
C=CC[C@@H](NC(=O)Cn1cc(C2CC2)cn1)C(=O)[O-]	ZINC001327457050	914552243	/nfs/dbraw/zinc/55/22/43/914552243.db2.gz	FUXTVNZJSPDBAA-LLVKDONJSA-N	-1	0	263.297	0.906	20	30		CCEDRM
N#Cc1csc(C(=O)N2CCOC[C@H]2c2nnn[n-]2)c1	ZINC001412434177	901721300	/nfs/dbraw/zinc/72/13/00/901721300.db2.gz	UTNSMUVIQFDIKA-QMMMGPOBSA-N	-1	0	290.308	0.347	20	30		CCEDRM
CN(C(=O)CSc1n[nH]c(=O)[n-]1)[C@H]1CCC[C@H]1C#N	ZINC001412443632	901725314	/nfs/dbraw/zinc/72/53/14/901725314.db2.gz	MAVXBIYITFUPTI-YUMQZZPRSA-N	-1	0	281.341	0.753	20	30		CCEDRM
C[C@H](CC#N)NC(=O)C(=O)Nc1cccnc1C(=O)[O-]	ZINC001327478911	914561573	/nfs/dbraw/zinc/56/15/73/914561573.db2.gz	JAHHQILINJHCJY-SSDOTTSWSA-N	-1	0	276.252	0.137	20	30		CCEDRM
CCCC(C)(C)NC(=O)Cn1cc(C#N)c(=O)[n-]c1=O	ZINC001412469772	901747159	/nfs/dbraw/zinc/74/71/59/901747159.db2.gz	HBNACCIYRDJNJP-UHFFFAOYSA-N	-1	0	278.312	0.515	20	30		CCEDRM
Cc1cc(C#N)c(=O)[n-]c1C(=O)NCc1nnnn1C1CC1	ZINC001412616356	901874481	/nfs/dbraw/zinc/87/44/81/901874481.db2.gz	FNAADZCLLQGXNO-UHFFFAOYSA-N	-1	0	299.294	0.219	20	30		CCEDRM
N#Cc1c[n-]n2c1nc(C[N@H+]1CCCC[C@@H]1CO)cc2=O	ZINC001412944455	902379132	/nfs/dbraw/zinc/37/91/32/902379132.db2.gz	OABRJJYAXZQCOW-GFCCVEGCSA-N	-1	0	287.323	0.653	20	30		CCEDRM
CC[C@@H](NC(=O)CCn1cc(C#N)c(=O)[n-]c1=O)C1CC1	ZINC001413274314	902836791	/nfs/dbraw/zinc/83/67/91/902836791.db2.gz	XAQJIICZGGGFCV-LLVKDONJSA-N	-1	0	290.323	0.515	20	30		CCEDRM
CCCC[C@@H](C)C(=O)NCCn1cc(C#N)c(=O)[n-]c1=O	ZINC001413306682	902857683	/nfs/dbraw/zinc/85/76/83/902857683.db2.gz	GNDDRUQHAXDRKA-SNVBAGLBSA-N	-1	0	292.339	0.763	20	30		CCEDRM
CCC[C@H](C)CC(=O)NCCn1cc(C#N)c(=O)[n-]c1=O	ZINC001413308840	902859032	/nfs/dbraw/zinc/85/90/32/902859032.db2.gz	LEWSLMQUFXIZNW-JTQLQIEISA-N	-1	0	292.339	0.763	20	30		CCEDRM
N#C[C@@H](CO)NC(=O)c1ccc2[n-]c(=S)oc2c1	ZINC001468042962	903206303	/nfs/dbraw/zinc/20/63/03/903206303.db2.gz	IEZGSPMMLKJIJZ-ZETCQYMHSA-N	-1	0	263.278	0.731	20	30		CCEDRM
Cc1c(C(=O)[O-])cccc1-n1nc(N)c(C#N)c1N	ZINC001216657585	903861977	/nfs/dbraw/zinc/86/19/77/903861977.db2.gz	FFKJESMVELYCLW-UHFFFAOYSA-N	-1	0	257.253	0.915	20	30		CCEDRM
C=CC[C@@H](NC(=O)c1cn(CC)nc1C)C(=O)[O-]	ZINC001331818073	904015780	/nfs/dbraw/zinc/01/57/80/904015780.db2.gz	HINUXPPWPQXAFJ-SNVBAGLBSA-N	-1	0	251.286	0.971	20	30		CCEDRM
C=CCOC[C@@H](NCc1nc(C)c(C)[nH]1)C(=O)[O-]	ZINC001332422312	904112863	/nfs/dbraw/zinc/11/28/63/904112863.db2.gz	GBDWWANCYDVZPS-SNVBAGLBSA-N	-1	0	253.302	0.772	20	30		CCEDRM
C=CC[C@H](C)NC(=O)c1cccc(-n2[n-]nnc2=N)c1	ZINC001293502585	906480631	/nfs/dbraw/zinc/48/06/31/906480631.db2.gz	KQEBNDURJSUHFK-VIFPVBQESA-N	-1	0	272.312	0.769	20	30		CCEDRM
C=CCO[C@@H]1CCN(c2nc3c(nc([O-])n(C)c3=O)[nH]2)C1	ZINC001337831283	921296630	/nfs/dbraw/zinc/29/66/30/921296630.db2.gz	KYBVXSPCAABNEJ-MRVPVSSYSA-N	-1	0	291.311	0.144	20	30		CCEDRM
Cc1n[nH]c(C(=O)N[C@H](C)CN(C)C(=O)[C@@H](C)C#N)c1[O-]	ZINC001382199088	907615890	/nfs/dbraw/zinc/61/58/90/907615890.db2.gz	PQCLYXJYQHXOMX-JGVFFNPUSA-N	-1	0	293.327	0.160	20	30		CCEDRM
C=CCCONC(=O)Cc1c(C)[nH]c(=O)[nH]c1=O	ZINC001301632617	907982437	/nfs/dbraw/zinc/98/24/37/907982437.db2.gz	AOJQFGOWPDIFQN-UHFFFAOYSA-N	-1	0	253.258	0.363	20	30		CCEDRM
C=C(CCC(=O)OC)C(=O)NC1(c2nnn[n-]2)CCC1	ZINC001303222336	908068930	/nfs/dbraw/zinc/06/89/30/908068930.db2.gz	RRTFZZDAYNEWRX-UHFFFAOYSA-N	-1	0	279.300	0.205	20	30		CCEDRM
Cc1nnc([S-])n(N=Cc2cnc3cnccn23)c1=O	ZINC001319282655	910071318	/nfs/dbraw/zinc/07/13/18/910071318.db2.gz	AUHVBTCXISHKHR-UHFFFAOYSA-N	-1	0	287.308	0.160	20	30		CCEDRM
C=CC[C@@H](NC(=O)c1ccc(OC)nn1)C(=O)[O-]	ZINC001321167576	911132715	/nfs/dbraw/zinc/13/27/15/911132715.db2.gz	ZLGYHLSDBYFNQJ-MRVPVSSYSA-N	-1	0	251.242	0.244	20	30		CCEDRM
C=CC[C@@H](NC(=O)CCOC[C@@H]1CCCO1)C(=O)[O-]	ZINC001321658519	911426813	/nfs/dbraw/zinc/42/68/13/911426813.db2.gz	UPMWBLIQHYQVBN-WDEREUQCSA-N	-1	0	271.313	0.718	20	30		CCEDRM
Cc1nc(NC(=O)c2[n-]c(=O)c(C#N)cc2C)nn1C	ZINC001417882539	921676444	/nfs/dbraw/zinc/67/64/44/921676444.db2.gz	ZZEGTWMYUQPDOS-UHFFFAOYSA-N	-1	0	272.268	0.657	20	30		CCEDRM
N#Cc1cn(CC(=O)N[C@@H]2CCCC[C@H]2F)c(=O)[n-]c1=O	ZINC001418013854	921759347	/nfs/dbraw/zinc/75/93/47/921759347.db2.gz	UVQAZCGAIOZHQD-NXEZZACHSA-N	-1	0	294.286	0.217	20	30		CCEDRM
C=CC1(S(=O)(=O)[N-]C(=O)Cn2cc(C3CC3)nn2)CC1	ZINC001329651484	916097744	/nfs/dbraw/zinc/09/77/44/916097744.db2.gz	JOHXFOWZMVJTLY-UHFFFAOYSA-N	-1	0	296.352	0.320	20	30		CCEDRM
C=CCCC(=O)NC[C@@H]1[C@H]2CN(Cc3n[nH]c(=O)[n-]3)C[C@H]21	ZINC001330273056	916519018	/nfs/dbraw/zinc/51/90/18/916519018.db2.gz	CFVWLIDVZSUACJ-RTCCRHLQSA-N	-1	0	291.355	0.271	20	30		CCEDRM
C=CC[C@H](NC(=O)/C=C(\C)CN1CCOCC1)C(=O)[O-]	ZINC001332135883	917895760	/nfs/dbraw/zinc/89/57/60/917895760.db2.gz	MOBRTMUGIBQHPK-ZKQHCESOSA-N	-1	0	282.340	0.410	20	30		CCEDRM
C=CC[C@@H](NC(=O)c1cnc2n1CCOC2)C(=O)[O-]	ZINC001332135957	917896697	/nfs/dbraw/zinc/89/66/97/917896697.db2.gz	MXUWPROWFWNTLM-MRVPVSSYSA-N	-1	0	265.269	0.172	20	30		CCEDRM
C=C(C)CO[N-]C(=O)C(=O)Nc1ncn(C(C)C)n1	ZINC001332628278	918328236	/nfs/dbraw/zinc/32/82/36/918328236.db2.gz	PPJYJXQRGKZGFQ-UHFFFAOYSA-N	-1	0	267.289	0.421	20	30		CCEDRM
C=CCCn1cc(CN2CC[C@](F)(C(=O)[O-])C2)nn1	ZINC001333121540	918666782	/nfs/dbraw/zinc/66/67/82/918666782.db2.gz	KIUXCEKUKRNAFA-GFCCVEGCSA-N	-1	0	268.292	0.853	20	30		CCEDRM
C#CC[C@@H](COC)NC(=O)C(=O)[N-]OCc1ccccc1	ZINC001333169579	918705316	/nfs/dbraw/zinc/70/53/16/918705316.db2.gz	OALBASCEAMTBIV-ZDUSSCGKSA-N	-1	0	290.319	0.389	20	30		CCEDRM
CCN(CCNC(=O)C#CC(C)(C)C)Cc1n[nH]c(=O)[n-]1	ZINC001492950562	919202793	/nfs/dbraw/zinc/20/27/93/919202793.db2.gz	WMCQPCRHIOPQDQ-UHFFFAOYSA-N	-1	0	293.371	0.498	20	30		CCEDRM
C=CC[C@H](NC(=O)C1(N2CCOCC2)CCC1)C(=O)[O-]	ZINC001334980554	919879983	/nfs/dbraw/zinc/87/99/83/919879983.db2.gz	JXHJMMWETLJPIU-NSHDSACASA-N	-1	0	282.340	0.387	20	30		CCEDRM
C=CC[C@@H]1CCCC[C@H]1NC(=O)C(=O)NCC(=O)[N-]OC	ZINC001335142979	919979427	/nfs/dbraw/zinc/97/94/27/919979427.db2.gz	GWXGANIIUFDHKS-GHMZBOCLSA-N	-1	0	297.355	0.031	20	30		CCEDRM
CC(C)[C@H](C)N(C)c1[n-]c(=O)n(C)c(=O)c1C#N	ZINC001336471693	920790902	/nfs/dbraw/zinc/79/09/02/920790902.db2.gz	PAAZTFZNDRNZGL-QMMMGPOBSA-N	-1	0	250.302	0.426	20	30		CCEDRM
CC(C)C[C@H](C)Nc1[n-]c(=O)n(C)c(=O)c1C#N	ZINC001336560890	920834290	/nfs/dbraw/zinc/83/42/90/920834290.db2.gz	WCXKWHBCZSXSLA-QMMMGPOBSA-N	-1	0	250.302	0.792	20	30		CCEDRM
Cn1c(=O)[n-]c(N[C@@H]2CSC2(C)C)c(C#N)c1=O	ZINC001336596106	920863067	/nfs/dbraw/zinc/86/30/67/920863067.db2.gz	RJAYEAUQZNSJQK-SSDOTTSWSA-N	-1	0	266.326	0.251	20	30		CCEDRM
C=CCC[C@@H]1CCCN1C(=O)c1n[nH]c(=O)[n-]c1=O	ZINC001336758697	920984662	/nfs/dbraw/zinc/98/46/62/920984662.db2.gz	IEYFLYTXWSKQQB-MRVPVSSYSA-N	-1	0	264.285	0.854	20	30		CCEDRM
N#Cc1ccc2c(c1)C[C@H](NC(=O)c1c[n-]ncc1=O)C2	ZINC001418996552	922554165	/nfs/dbraw/zinc/55/41/65/922554165.db2.gz	CHKHNJWGGOLLOA-GFCCVEGCSA-N	-1	0	280.287	0.951	20	30		CCEDRM
C#C[C@@H](C)N(C)c1nnc(-c2c[n-]n(CC)c2=O)n1C	ZINC001341788459	922672667	/nfs/dbraw/zinc/67/26/67/922672667.db2.gz	GUCZVWZOOIVZRQ-SECBINFHSA-N	-1	0	274.328	0.862	20	30		CCEDRM
CC(C)NC(=O)C(C#N)=C([O-])c1ccc(C(N)=O)o1	ZINC001341904680	922718087	/nfs/dbraw/zinc/71/80/87/922718087.db2.gz	UUSNUJOENUSIQV-SSDOTTSWSA-N	-1	0	263.253	0.226	20	30		CCEDRM
C#C[C@H](NC(=O)N(C)CCCC(=O)[O-])[C@@H]1CCCO1	ZINC001342699527	923057570	/nfs/dbraw/zinc/05/75/70/923057570.db2.gz	IMSAYJAPKJDIAN-QWRGUYRKSA-N	-1	0	268.313	0.673	20	30		CCEDRM
C[C@]1(C#N)CN(C(=O)c2ccc(-c3nn[nH]n3)cn2)CCO1	ZINC001420291985	923506118	/nfs/dbraw/zinc/50/61/18/923506118.db2.gz	PAXGKQJKYWTFJM-ZDUSSCGKSA-N	-1	0	299.294	0.016	20	30		CCEDRM
Cn1c(=O)[n-]c(NC[C@@]2(C)CCCC[C@@H]2O)c(C#N)c1=O	ZINC001421074865	924136682	/nfs/dbraw/zinc/13/66/82/924136682.db2.gz	ALLVIUQQJXLFLJ-IINYFYTJSA-N	-1	0	292.339	0.298	20	30		CCEDRM
Cn1c(=O)[n-]c(N[C@H]2C[C@@H]2c2cccnc2)c(C#N)c1=O	ZINC001421121818	924163324	/nfs/dbraw/zinc/16/33/24/924163324.db2.gz	MFXXTOWIYYIYHW-KOLCDFICSA-N	-1	0	283.291	0.308	20	30		CCEDRM
C=CCCCNC(=O)C(=O)[N-]OC[C@H]1CCOC1	ZINC001346917899	924330962	/nfs/dbraw/zinc/33/09/62/924330962.db2.gz	QIGRJMQZLJVRHL-JTQLQIEISA-N	-1	0	256.302	0.153	20	30		CCEDRM
CC[C@H]1[C@@H](C)CCN1c1[n-]c(=O)n(C)c(=O)c1C#N	ZINC001348096875	924595022	/nfs/dbraw/zinc/59/50/22/924595022.db2.gz	HWMSTVAUQZWOKE-WPRPVWTQSA-N	-1	0	262.313	0.570	20	30		CCEDRM
C#C[C@H](CCC)[N-]S(=O)(=O)c1nn(C)cc1[N+](=O)[O-]	ZINC001348135329	924601381	/nfs/dbraw/zinc/60/13/81/924601381.db2.gz	GBCVATPWAHSIIE-MRVPVSSYSA-N	-1	0	286.313	0.409	20	30		CCEDRM
C=C[C@@H](C)O[N-]C(=O)CN1CCCC2(CC2)S1(=O)=O	ZINC001348771008	924799104	/nfs/dbraw/zinc/79/91/04/924799104.db2.gz	QDBHYXUOMAQGSW-SNVBAGLBSA-N	-1	0	288.369	0.567	20	30		CCEDRM
C#C[C@H]1CCCN(C(=O)c2c[n-]n3c2nccc3=O)C1	ZINC001349811583	925067450	/nfs/dbraw/zinc/06/74/50/925067450.db2.gz	LJTUHTLTKZTPBZ-JTQLQIEISA-N	-1	0	270.292	0.508	20	30		CCEDRM
C=CC1(S(=O)(=O)[N-]C(=O)C[C@@H]2COC(=O)C2)CC1	ZINC001352047677	925514109	/nfs/dbraw/zinc/51/41/09/925514109.db2.gz	CJLMKWURAJFBIY-QMMMGPOBSA-N	-1	0	273.310	0.104	20	30		CCEDRM
COc1cnc(F)c(C(=O)Nc2nc(C#N)c(C#N)[n-]2)c1	ZINC001300045240	925593768	/nfs/dbraw/zinc/59/37/68/925593768.db2.gz	YXTQQRIBJWEVLQ-UHFFFAOYSA-N	-1	0	286.226	0.948	20	30		CCEDRM
CN1CCCC[C@H](C(=O)Nc2nc(C#N)c(C#N)[n-]2)C1=O	ZINC001300044239	925594012	/nfs/dbraw/zinc/59/40/12/925594012.db2.gz	DNFBLHWINGPQGW-MRVPVSSYSA-N	-1	0	286.295	0.350	20	30		CCEDRM
CC(C)CCN(C)c1[n-]c(=O)n(C)c(=O)c1C#N	ZINC001354079075	926007429	/nfs/dbraw/zinc/00/74/29/926007429.db2.gz	JGKHXBNQZFOWQB-UHFFFAOYSA-N	-1	0	250.302	0.428	20	30		CCEDRM
CC[C@H](C)[C@H](C)Nc1[n-]c(=O)n(C)c(=O)c1C#N	ZINC001354090003	926012487	/nfs/dbraw/zinc/01/24/87/926012487.db2.gz	NDVLNLIUDCRIKI-YUMQZZPRSA-N	-1	0	250.302	0.792	20	30		CCEDRM
C=C(C)Cn1c(Cc2nn[nH]n2)nnc1N1CCCC1	ZINC001356229279	926357325	/nfs/dbraw/zinc/35/73/25/926357325.db2.gz	YDWMBQCQXOQEQM-UHFFFAOYSA-N	-1	0	274.332	0.558	20	30		CCEDRM
COC(=O)c1oc(Cn2c(=O)[n-]cc(C#N)c2=O)cc1C	ZINC001421407541	926733142	/nfs/dbraw/zinc/73/31/42/926733142.db2.gz	GVQBWJWGWSCGID-UHFFFAOYSA-N	-1	0	289.247	0.145	20	30		CCEDRM
CC(=O)N1CCN(C(=O)c2[n-]c(=O)c(C#N)cc2C)CC1	ZINC001361588181	927173503	/nfs/dbraw/zinc/17/35/03/927173503.db2.gz	KZOWVQXMLFXMOU-UHFFFAOYSA-N	-1	0	288.307	0.272	20	30		CCEDRM
CCOC(=O)CCNC(=O)c1[n-]c(=O)c(C#N)cc1C	ZINC001362084480	927598047	/nfs/dbraw/zinc/59/80/47/927598047.db2.gz	RXDXFUGSSDNGGF-UHFFFAOYSA-N	-1	0	277.280	0.650	20	30		CCEDRM
N#C[C@H]1C[C@H]1C(=O)Nc1ccc(OCc2nnn[n-]2)cc1	ZINC001362164654	927685072	/nfs/dbraw/zinc/68/50/72/927685072.db2.gz	CWFJNWSVWGHIRK-LDYMZIIASA-N	-1	0	284.279	0.877	20	30		CCEDRM
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Cc1cc(C#N)c(=O)[n-]c1C(=O)NCc1cc(=O)cc[nH]1	ZINC001362982651	928724456	/nfs/dbraw/zinc/72/44/56/928724456.db2.gz	NSHNPXJHJBHTNA-UHFFFAOYSA-N	-1	0	284.275	0.586	20	30		CCEDRM
CCC[C@@H](C)NC(=O)NCCn1cc(C#N)c(=O)[n-]c1=O	ZINC001426644654	928892215	/nfs/dbraw/zinc/89/22/15/928892215.db2.gz	QPCYQYPNVXCKDY-SECBINFHSA-N	-1	0	293.327	0.308	20	30		CCEDRM
CCc1nnc(N(C)Cc2nc(=O)o[n-]2)c(C#N)c1CC	ZINC001363147584	928918950	/nfs/dbraw/zinc/91/89/50/928918950.db2.gz	RCOZJFKTKCPRLW-UHFFFAOYSA-N	-1	0	288.311	0.786	20	30		CCEDRM
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N#CCOc1ccccc1C(=O)N1CC[C@H](c2nnn[n-]2)C1	ZINC001363527697	929325522	/nfs/dbraw/zinc/32/55/22/929325522.db2.gz	UCRJUGQTAULSOF-JTQLQIEISA-N	-1	0	298.306	0.732	20	30		CCEDRM
CC(=O)NCC(C)(C)C(=O)Nc1nc(C#N)c(C#N)[n-]1	ZINC001363641752	929443938	/nfs/dbraw/zinc/44/39/38/929443938.db2.gz	LWFZNLZJOFTVRG-UHFFFAOYSA-N	-1	0	274.284	0.254	20	30		CCEDRM
Cc1cc(C(=O)Cn2c(=O)[n-]cc(C#N)c2=O)ccc1F	ZINC001363760964	929550583	/nfs/dbraw/zinc/55/05/83/929550583.db2.gz	MCHSOLPFIZRHDA-UHFFFAOYSA-N	-1	0	287.250	0.739	20	30		CCEDRM
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CCN(CCNC(=O)[C@@H](C)C#N)C(=O)c1n[nH]c(C)c1[O-]	ZINC001373938894	930375323	/nfs/dbraw/zinc/37/53/23/930375323.db2.gz	XRCFUBLLPZOXCS-QMMMGPOBSA-N	-1	0	293.327	0.162	20	30		CCEDRM
C#C[C@@H]1CCCN(C(=O)C(=O)NCCCCCC(=O)[O-])C1	ZINC001602674695	971242252	/nfs/dbraw/zinc/24/22/52/971242252.db2.gz	AKDKOHPGHKWTSX-GFCCVEGCSA-N	-1	0	294.351	0.619	20	30		CCEDRM
C#C[C@H]1CCCN(C(=O)C(=O)N2CC[C@@](C)(C(=O)[O-])C2)C1	ZINC001602674994	971244686	/nfs/dbraw/zinc/24/46/86/971244686.db2.gz	IGBLKEXSAFSCOZ-XHDPSFHLSA-N	-1	0	292.335	0.181	20	30		CCEDRM
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C#CCN(CC(=O)[O-])C(=O)CCc1cscn1	ZINC001602682815	971270048	/nfs/dbraw/zinc/27/00/48/971270048.db2.gz	VCNQASHSUUFNGT-UHFFFAOYSA-N	-1	0	252.295	0.622	20	30		CCEDRM
C#CCN(CC(=O)[O-])C(=O)C[C@H]1CCCC[C@@H]1O	ZINC001602683332	971272213	/nfs/dbraw/zinc/27/22/13/971272213.db2.gz	AOELLNLCOPKXSE-MNOVXSKESA-N	-1	0	253.298	0.474	20	30		CCEDRM
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C#CCN(CC(=O)[O-])C(=O)c1ncoc1-c1ccon1	ZINC001602692014	971299641	/nfs/dbraw/zinc/29/96/41/971299641.db2.gz	AHEWYUJHSHZIFT-UHFFFAOYSA-N	-1	0	275.220	0.490	20	30		CCEDRM
C#CCN(CC(=O)[O-])C(=O)c1cnn(CCOCC)c1	ZINC001602692226	971300746	/nfs/dbraw/zinc/30/07/46/971300746.db2.gz	HBPCWQGDGVETRV-UHFFFAOYSA-N	-1	0	279.296	0.080	20	30		CCEDRM
C#CCN(CC(=O)[O-])c1nnc(CC(F)F)n1C	ZINC001602700879	971322439	/nfs/dbraw/zinc/32/24/39/971322439.db2.gz	MLWMPDFUDLHNNS-UHFFFAOYSA-N	-1	0	258.228	0.147	20	30		CCEDRM
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C#CCN1CCN(C(=O)c2coc(/C=C\C(=O)[O-])c2)CC1	ZINC001602702094	971330348	/nfs/dbraw/zinc/33/03/48/971330348.db2.gz	ICURJZMNLRLXKS-ARJAWSKDSA-N	-1	0	288.303	0.768	20	30		CCEDRM
C#CCOCCNC(=O)Nc1cncc(C(=O)[O-])c1	ZINC001602702892	971331901	/nfs/dbraw/zinc/33/19/01/971331901.db2.gz	VYXOXIDWFLOWDL-UHFFFAOYSA-N	-1	0	263.253	0.551	20	30		CCEDRM
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C=C(C)[C@@H]1OCC[C@@H]1C(=O)N(CCOC)CCC(=O)[O-]	ZINC001602712285	971355041	/nfs/dbraw/zinc/35/50/41/971355041.db2.gz	MUGPALXWMNYITJ-AAEUAGOBSA-N	-1	0	285.340	0.917	20	30		CCEDRM
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C=C[C@H](CO)NC(=O)NC[C@@H](C(=O)[O-])C1CCC1	ZINC001602730809	971409203	/nfs/dbraw/zinc/40/92/03/971409203.db2.gz	CNHRGAIBDAPJRD-NXEZZACHSA-N	-1	0	256.302	0.333	20	30		CCEDRM
CC#CCCOC(=O)[C@H]1CCCN(CC(=O)[O-])C1=O	ZINC001602734868	971413636	/nfs/dbraw/zinc/41/36/36/971413636.db2.gz	ABGKJLVPRXMPJQ-JTQLQIEISA-N	-1	0	267.281	0.266	20	30		CCEDRM
CC(=O)NCCN(CC#Cc1ccccc1)[C@@H](C)C(=O)[O-]	ZINC001602757643	971472397	/nfs/dbraw/zinc/47/23/97/971472397.db2.gz	KOIVFWCUGGIJKZ-ZDUSSCGKSA-N	-1	0	288.347	0.949	20	30		CCEDRM
CC[C@H](C(=O)[O-])N(C)CC(=O)N(CCC#N)CCC#N	ZINC000044620128	948900272	/nfs/dbraw/zinc/90/02/72/948900272.db2.gz	CBKMGVBYAFSWKY-LLVKDONJSA-N	-1	0	280.328	0.437	20	30		CCEDRM
C[C@@](C#N)(CC(=O)[O-])C(=O)NCC1SCCS1	ZINC001602781036	971521417	/nfs/dbraw/zinc/52/14/17/971521417.db2.gz	QSCJGTMGFGIWMR-JTQLQIEISA-N	-1	0	274.367	0.913	20	30		CCEDRM
C[C@@H](C#N)OCCOC(=O)c1cnc(C(=O)[O-])cn1	ZINC001602786528	971535160	/nfs/dbraw/zinc/53/51/60/971535160.db2.gz	WLXJTSIGFKQNMF-ZETCQYMHSA-N	-1	0	265.225	0.260	20	30		CCEDRM
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C[C@@H](CCO)CCNC(=O)[C@](C)(C#N)CC(=O)[O-]	ZINC001589015792	955436641	/nfs/dbraw/zinc/43/66/41/955436641.db2.gz	XBELZVMBXOSRDQ-SKDRFNHKSA-N	-1	0	256.302	0.516	20	30		CCEDRM
C[C@@H](CN(C)C(=O)C(=O)Nc1ccc(C#N)cc1)C(=O)[O-]	ZINC001589022114	955480744	/nfs/dbraw/zinc/48/07/44/955480744.db2.gz	KJQVTECRZHLEFG-VIFPVBQESA-N	-1	0	289.291	0.676	20	30		CCEDRM
C[C@@H](CNC(=O)NCC#C[C@H]1CCCCO1)C(=O)[O-]	ZINC001589052452	955676479	/nfs/dbraw/zinc/67/64/79/955676479.db2.gz	XNGBSUYEYQQHCN-WDEREUQCSA-N	-1	0	268.313	0.579	20	30		CCEDRM
Cn1ccc(COC(=O)[C@](C)(C#N)CC(=O)[O-])n1	ZINC001594550380	955720878	/nfs/dbraw/zinc/72/08/78/955720878.db2.gz	GTCARDFJDYIZER-NSHDSACASA-N	-1	0	251.242	0.468	20	30		CCEDRM
Cn1ccnc(N=NCc2cccn2CC(=O)[O-])c1=O	ZINC001594551477	955728984	/nfs/dbraw/zinc/72/89/84/955728984.db2.gz	GMKAYGWKRKRSHH-UHFFFAOYSA-N	-1	0	275.268	0.112	20	30		CCEDRM
CO[C@H](C(=O)[O-])C(=O)N(C1CC1)C1(C#N)CCC1	ZINC001593902287	955882088	/nfs/dbraw/zinc/88/20/88/955882088.db2.gz	OYTZVHOIYARLKM-VIFPVBQESA-N	-1	0	252.270	0.523	20	30		CCEDRM
Cn1nc2c(c1C=NNCCC(=O)[O-])CCCC2	ZINC001594577839	955937082	/nfs/dbraw/zinc/93/70/82/955937082.db2.gz	WJJPJKCQXKONGW-UHFFFAOYSA-N	-1	0	250.302	0.697	20	30		CCEDRM
CO[C@@H](C(=O)[O-])C(=O)OCc1nc(C#N)cs1	ZINC001593921592	956083333	/nfs/dbraw/zinc/08/33/33/956083333.db2.gz	ZHGRDVSMESMLDY-ZETCQYMHSA-N	-1	0	256.239	0.158	20	30		CCEDRM
N#CC1(CNC(=O)N2C[C@H]3COC[C@@]3(C(=O)[O-])C2)CC1	ZINC001594604510	956162975	/nfs/dbraw/zinc/16/29/75/956162975.db2.gz	XNUYASYBIXFYTR-ZANVPECISA-N	-1	0	279.296	0.033	20	30		CCEDRM
N#CC[C@H](NC(=O)N1CCO[C@H](C(=O)[O-])C1)C(F)(F)F	ZINC001594606346	956180998	/nfs/dbraw/zinc/18/09/98/956180998.db2.gz	RVRAVNTXHNNGSP-BQBZGAKWSA-N	-1	0	295.217	0.326	20	30		CCEDRM
CO[C@@](C)(C(=O)[O-])C(=O)OCc1cc(C#N)ccn1	ZINC001593933618	956204865	/nfs/dbraw/zinc/20/48/65/956204865.db2.gz	KKYOTPZQFBOUES-LBPRGKRZSA-N	-1	0	264.237	0.486	20	30		CCEDRM
N#Cc1c(F)cc(C(=O)N2CCOC[C@@H]2C(=O)[O-])cc1F	ZINC001594611730	956219227	/nfs/dbraw/zinc/21/92/27/956219227.db2.gz	AISPJIPGVIJHRD-LLVKDONJSA-N	-1	0	296.229	0.762	20	30		CCEDRM
N#Cc1ccc(C(=O)NC2(C(=O)[O-])CCOCC2)cc1O	ZINC001594617464	956249322	/nfs/dbraw/zinc/24/93/22/956249322.db2.gz	AHDLWJJOYLZCKM-UHFFFAOYSA-N	-1	0	290.275	0.627	20	30		CCEDRM
N#Cc1ccc([C@@H](O)C(=O)N[C@H]2C[C@@H](C(=O)[O-])C2)cc1	ZINC001594617551	956250310	/nfs/dbraw/zinc/25/03/10/956250310.db2.gz	FBQNEFFRSSUGTB-GRYCIOLGSA-N	-1	0	274.276	0.571	20	30		CCEDRM
N#Cc1ccccc1C=CC(=O)OCC(=O)C(=O)[O-]	ZINC001594628823	956337236	/nfs/dbraw/zinc/33/72/36/956337236.db2.gz	QWUCTFUQBOCAJS-WAYWQWQTSA-N	-1	0	259.217	0.768	20	30		CCEDRM
N#Cc1cnccc1COC(=O)c1cnc(C(=O)[O-])cn1	ZINC001594634735	956364418	/nfs/dbraw/zinc/36/44/18/956364418.db2.gz	OLQOHTKTPSHHSH-UHFFFAOYSA-N	-1	0	284.231	0.798	20	30		CCEDRM
C[C@@H](OC(=O)[C@@H](C)C(=O)[O-])C(=O)N(C)CCC#N	ZINC001589158792	956387327	/nfs/dbraw/zinc/38/73/27/956387327.db2.gz	MMJHZAXZRFJQMI-JGVFFNPUSA-N	-1	0	256.258	0.011	20	30		CCEDRM
C[C@H](Oc1ccc(C#N)cc1)C(=O)OCC(=O)C(=O)[O-]	ZINC001589167808	956437325	/nfs/dbraw/zinc/43/73/25/956437325.db2.gz	LLGRTARZGCGBEJ-QMMMGPOBSA-N	-1	0	277.232	0.522	20	30		CCEDRM
C[C@@]1(C#N)CN(C(=O)C2(C(=O)[O-])CCC2)CCO1	ZINC001589181330	956522047	/nfs/dbraw/zinc/52/20/47/956522047.db2.gz	FTAFDNRYIOLWGF-LLVKDONJSA-N	-1	0	252.270	0.382	20	30		CCEDRM
COC[C@@]1(C(=O)[O-])CCN(C(=O)c2ccc(C#N)[nH]2)C1	ZINC001593966041	956538246	/nfs/dbraw/zinc/53/82/46/956538246.db2.gz	VEJBJNBKEYJQIB-CYBMUJFWSA-N	-1	0	277.280	0.450	20	30		CCEDRM
CC1(C)CCCN(C(=O)[C@H]2CC(C(=O)[O-])=NO2)[C@H]1C#N	ZINC001589225952	956794644	/nfs/dbraw/zinc/79/46/44/956794644.db2.gz	PTULYANGHXSJDS-ZJUUUORDSA-N	-1	0	279.296	0.757	20	30		CCEDRM
C#CCN(CC1CC1)C(=O)NCCSCC(=O)[O-]	ZINC000389461589	972226795	/nfs/dbraw/zinc/22/67/95/972226795.db2.gz	GILTZNPLEBDROF-UHFFFAOYSA-N	-1	0	270.354	0.859	20	30		CCEDRM
C=CCNC(=O)NC(=O)CN(CC(=O)[O-])CC(C)C	ZINC000062743159	957606418	/nfs/dbraw/zinc/60/64/18/957606418.db2.gz	LLZRLDDRMCOTEB-UHFFFAOYSA-N	-1	0	271.317	0.041	20	30		CCEDRM
N#Cc1ccc(F)c(CN2CCNC(=O)[C@H]2CC(=O)[O-])c1	ZINC000071246544	957713373	/nfs/dbraw/zinc/71/33/73/957713373.db2.gz	MKUDKYPZOKVXSW-GFCCVEGCSA-N	-1	0	291.282	0.472	20	30		CCEDRM
N#Cc1ccccc1C[N@H+](CCC(=O)[O-])CC(=O)[O-]	ZINC000071736925	957730919	/nfs/dbraw/zinc/73/09/19/957730919.db2.gz	VTOOGLOEMGICQD-UHFFFAOYSA-N	-1	0	262.265	0.920	20	30		CCEDRM
Cc1cc(C(=O)NC2(C(=O)[O-])CCOCC2)ncc1C#N	ZINC001594279463	957731965	/nfs/dbraw/zinc/73/19/65/957731965.db2.gz	HJIXFTOLHVBVNR-UHFFFAOYSA-N	-1	0	289.291	0.625	20	30		CCEDRM
C#C[C@@H]1CCCN(C(=O)C(=O)N2CCC(C(=O)[O-])CC2)C1	ZINC001588382087	957966330	/nfs/dbraw/zinc/96/63/30/957966330.db2.gz	GBNYXIQJXOKKTD-LLVKDONJSA-N	-1	0	292.335	0.181	20	30		CCEDRM
C#C[C@H](OC(=O)[C@H]1CCCN(CC(=O)[O-])C1=O)C1CC1	ZINC001588385240	957968517	/nfs/dbraw/zinc/96/85/17/957968517.db2.gz	BHKOIMQINWLXBY-QWRGUYRKSA-N	-1	0	279.292	0.265	20	30		CCEDRM
C#C[C@@H](NC(=O)CSCC(=O)[O-])[C@H]1CCCO1	ZINC001588387654	957988874	/nfs/dbraw/zinc/98/88/74/957988874.db2.gz	LOJBDUIGAVBXIU-RKDXNWHRSA-N	-1	0	257.311	0.101	20	30		CCEDRM
C#C[C@H](CCC)NC(=O)[C@H]1CCCN(CC(=O)[O-])C1=O	ZINC001588388767	957999508	/nfs/dbraw/zinc/99/95/08/957999508.db2.gz	ZTEPORWCIMTRBG-GHMZBOCLSA-N	-1	0	280.324	0.228	20	30		CCEDRM
C#C[C@H]1CCCN(C(=O)Nc2ccn(CC(=O)[O-])n2)C1	ZINC001588388802	958000998	/nfs/dbraw/zinc/00/09/98/958000998.db2.gz	GRJIKYHDCBKNHE-JTQLQIEISA-N	-1	0	276.296	0.845	20	30		CCEDRM
C#CC[C@H](CCOC)NC(=O)c1cc(C(=O)[O-])n[nH]1	ZINC001588389145	958006374	/nfs/dbraw/zinc/00/63/74/958006374.db2.gz	OJUBRWJBNNUOKT-MRVPVSSYSA-N	-1	0	265.269	0.266	20	30		CCEDRM
C#CC[C@H](CCOC)NC(=O)[C@H]1CC[C@H]1C(=O)[O-]	ZINC001588389402	958009142	/nfs/dbraw/zinc/00/91/42/958009142.db2.gz	URTDAGXHKMKLTB-OUAUKWLOSA-N	-1	0	253.298	0.642	20	30		CCEDRM
C#CCC[C@@H](O)CNC(=O)Nc1cc(C(=O)[O-])ccn1	ZINC001588391326	958022159	/nfs/dbraw/zinc/02/21/59/958022159.db2.gz	FMMYTRVDVAEWPP-SNVBAGLBSA-N	-1	0	277.280	0.676	20	30		CCEDRM
C#CC[C@H]1NC(=O)N(CCCCCC(=O)[O-])C1=O	ZINC001588391884	958028284	/nfs/dbraw/zinc/02/82/84/958028284.db2.gz	QUBDQXBFLMHMST-SECBINFHSA-N	-1	0	252.270	0.575	20	30		CCEDRM
C#CC[C@H](OC(=O)COCC(=O)[O-])c1ccccn1	ZINC001588391867	958028965	/nfs/dbraw/zinc/02/89/65/958028965.db2.gz	PUOUUASPHKVKNP-NSHDSACASA-N	-1	0	263.249	0.790	20	30		CCEDRM
C#CCN(CC(=O)[O-])C(=O)[C@@H]1CCCN1CC(F)(F)F	ZINC001588399274	958071278	/nfs/dbraw/zinc/07/12/78/958071278.db2.gz	IHYPVAPLGLFCSG-VIFPVBQESA-N	-1	0	292.257	0.560	20	30		CCEDRM
C#CCN(CC(=O)[O-])C(=O)[C@]1(OC)CCSC1	ZINC001588400436	958082786	/nfs/dbraw/zinc/08/27/86/958082786.db2.gz	XRGZFHUSCWNWQJ-NSHDSACASA-N	-1	0	257.311	0.055	20	30		CCEDRM
C[C@@](O)(CNC(=O)c1ccccc1SCC#N)C(=O)[O-]	ZINC000090275237	958107038	/nfs/dbraw/zinc/10/70/38/958107038.db2.gz	QHVGBALAJBFTIW-CYBMUJFWSA-N	-1	0	294.332	0.868	20	30		CCEDRM
C#CCN(CC(=O)[O-])C(=O)NCC1(CF)CCOCC1	ZINC001588408483	958111450	/nfs/dbraw/zinc/11/14/50/958111450.db2.gz	PEHZNFRBQPBSAW-UHFFFAOYSA-N	-1	0	286.303	0.482	20	30		CCEDRM
C#CCN(CC(=O)[O-])C(=O)Nc1ccc([S@@](C)=O)cc1	ZINC001588413161	958156660	/nfs/dbraw/zinc/15/66/60/958156660.db2.gz	SZVCSELHHVTVFE-HXUWFJFHSA-N	-1	0	294.332	0.976	20	30		CCEDRM
C#CCN(CC(=O)[O-])C(=O)c1cc2n[nH]nc2cc1F	ZINC001588416904	958166151	/nfs/dbraw/zinc/16/61/51/958166151.db2.gz	WPYGJYDDFQPOBZ-UHFFFAOYSA-N	-1	0	276.227	0.257	20	30		CCEDRM
C#CCN(CC(=O)[O-])C(=O)c1cnc2ccc(C)cc2c1O	ZINC001588418517	958180896	/nfs/dbraw/zinc/18/08/96/958180896.db2.gz	KAMIPBMJWFAWHX-UHFFFAOYSA-N	-1	0	298.298	0.997	20	30		CCEDRM
C#CCN(CC(=O)[O-])C(=O)c1cnn(CCC)c1C	ZINC001588418742	958185567	/nfs/dbraw/zinc/18/55/67/958185567.db2.gz	QFOMETLIOPTMEY-UHFFFAOYSA-N	-1	0	263.297	0.762	20	30		CCEDRM
C#CCN(CC(=O)[O-])C(=O)c1cccc(-c2nc[nH]n2)c1	ZINC001588419102	958191073	/nfs/dbraw/zinc/19/10/73/958191073.db2.gz	QSGIWLOWLJRUQA-UHFFFAOYSA-N	-1	0	284.275	0.632	20	30		CCEDRM
C#CCN(CC(=O)[O-])C(=O)c1cccc(C(=O)NC)c1	ZINC001588419074	958191448	/nfs/dbraw/zinc/19/14/48/958191448.db2.gz	PMZBLHZJFAJBRL-UHFFFAOYSA-N	-1	0	274.276	0.206	20	30		CCEDRM
C#CCN(CC(=O)[O-])[C@@H](C)C(=O)NCc1ccccc1	ZINC001588420129	958199949	/nfs/dbraw/zinc/19/99/49/958199949.db2.gz	MRLLDUISCMUZCA-LBPRGKRZSA-N	-1	0	274.320	0.711	20	30		CCEDRM
C#CCN(CC(=O)[O-])[C@H](C)C(=O)NC(=O)NC(C)(C)C	ZINC001588420278	958203796	/nfs/dbraw/zinc/20/37/96/958203796.db2.gz	TYAHVACAELQJEF-SECBINFHSA-N	-1	0	283.328	0.019	20	30		CCEDRM
C#CCN(CC(=O)[O-])C[C@H](O)c1ccc([N+](=O)[O-])cc1	ZINC001588424284	958214075	/nfs/dbraw/zinc/21/40/75/958214075.db2.gz	NHWWRHTYUWIEQB-LBPRGKRZSA-N	-1	0	278.264	0.648	20	30		CCEDRM
C#CCN(CC(=O)[O-])c1nnc([C@@H](C)CC)n1C	ZINC001588426814	958233660	/nfs/dbraw/zinc/23/36/60/958233660.db2.gz	CUTUXZUXAPABFN-VIFPVBQESA-N	-1	0	250.302	0.853	20	30		CCEDRM
C#CCN(CC(=O)[O-])c1nnc(CCC)n1CC	ZINC001588427046	958238308	/nfs/dbraw/zinc/23/83/08/958238308.db2.gz	KSYBSRIJIKFKLL-UHFFFAOYSA-N	-1	0	250.302	0.775	20	30		CCEDRM
C#CCN(CC(=O)[O-])c1nnc([C@@H](O)CC)n1CC(C)C	ZINC001588427439	958246332	/nfs/dbraw/zinc/24/63/32/958246332.db2.gz	XVZXKMXPZPCURX-NSHDSACASA-N	-1	0	294.355	0.902	20	30		CCEDRM
C#CCNC(=O)CN[C@](C)(C(=O)[O-])c1ccccc1	ZINC001588430046	958249440	/nfs/dbraw/zinc/24/94/40/958249440.db2.gz	GTQXGKPNJHSGPL-AWEZNQCLSA-N	-1	0	260.293	0.325	20	30		CCEDRM
C#CCNC(=O)[C@H](C)OC(=O)[C@H](C(=O)[O-])C(C)C	ZINC001588430220	958254068	/nfs/dbraw/zinc/25/40/68/958254068.db2.gz	JWTYDLZDDHNBEV-IUCAKERBSA-N	-1	0	255.270	0.024	20	30		CCEDRM
C#CCOCCNC(=O)C1(C(=O)[O-])CCCCC1	ZINC001588431352	958268824	/nfs/dbraw/zinc/26/88/24/958268824.db2.gz	NRZRYQDBXKBXEW-UHFFFAOYSA-N	-1	0	253.298	0.788	20	30		CCEDRM
C=C(C)[C@@H]1OCC[C@H]1CNC(=O)[C@@H](OC)C(=O)[O-]	ZINC001588440998	958332708	/nfs/dbraw/zinc/33/27/08/958332708.db2.gz	BEGJDIGUKPRYJK-LPEHRKFASA-N	-1	0	257.286	0.183	20	30		CCEDRM
C=C(C)CN(C)C(=O)N[C@H]1CCCCN(CC(=O)[O-])C1=O	ZINC001588443009	958349110	/nfs/dbraw/zinc/34/91/10/958349110.db2.gz	XEWHHQPWCKFKKF-NSHDSACASA-N	-1	0	297.355	0.670	20	30		CCEDRM
C=C(CC)C(=O)N(CCNC(C)=O)[C@@H](C)C(=O)[O-]	ZINC001588444409	958360093	/nfs/dbraw/zinc/36/00/93/958360093.db2.gz	APNYBUBNFOKZLM-VIFPVBQESA-N	-1	0	256.302	0.390	20	30		CCEDRM
C=C(C)Cn1nnnc1N1CC[C@](COC)(C(=O)[O-])C1	ZINC001588444863	958367875	/nfs/dbraw/zinc/36/78/75/958367875.db2.gz	WHDMYDGFJUITJU-LBPRGKRZSA-N	-1	0	281.316	0.177	20	30		CCEDRM
C=C[C@@](C)(O)CC(=O)NC[C@H](C(=O)[O-])C1CCC1	ZINC001588451077	958405026	/nfs/dbraw/zinc/40/50/26/958405026.db2.gz	LNNGCQJMXHXBQI-GXFFZTMASA-N	-1	0	255.314	0.931	20	30		CCEDRM
C=C[C@H]1CCCCN1CCS(=O)(=O)CC(=O)[O-]	ZINC001588451805	958415301	/nfs/dbraw/zinc/41/53/01/958415301.db2.gz	BFUKBBCHUVIMGB-JTQLQIEISA-N	-1	0	261.343	0.526	20	30		CCEDRM
C=CC[C@H](CO)CNC(=O)C1(CC(=O)[O-])CCOCC1	ZINC001588452492	958423450	/nfs/dbraw/zinc/42/34/50/958423450.db2.gz	BSXBDKIUHQBCFT-NSHDSACASA-N	-1	0	285.340	0.559	20	30		CCEDRM
C=CC[C@@H](NC(=O)[C@@H](C(=O)[O-])C(C)C)C(=O)OCC	ZINC001588453253	958435259	/nfs/dbraw/zinc/43/52/59/958435259.db2.gz	TVJRDTWNGLZZKZ-ZJUUUORDSA-N	-1	0	271.313	0.967	20	30		CCEDRM
C=CCC[C@@H](CO)NC(=O)[C@]1(C(=O)[O-])CC1(C)C	ZINC001588457269	958448221	/nfs/dbraw/zinc/44/82/21/958448221.db2.gz	SDUCHJGJEQMJPY-ZANVPECISA-N	-1	0	255.314	0.931	20	30		CCEDRM
C=CCOC[C@H]1NC(=O)N(C[C@@H](CC)C(=O)[O-])C1=O	ZINC001588465061	958494882	/nfs/dbraw/zinc/49/48/82/958494882.db2.gz	FUSWSXXGXVZBOC-RKDXNWHRSA-N	-1	0	270.285	0.220	20	30		CCEDRM
C=CCNC(=O)NC(=O)[C@H](C)SCCC(=O)[O-]	ZINC001588465385	958501324	/nfs/dbraw/zinc/50/13/24/958501324.db2.gz	HKOPVKLXJZDSAP-ZETCQYMHSA-N	-1	0	260.315	0.595	20	30		CCEDRM
C=CCN1CC[C@H](OC(=O)c2cc(C(=O)[O-])nn2C)C1=O	ZINC001588465558	958505465	/nfs/dbraw/zinc/50/54/65/958505465.db2.gz	SRTMKPDUZVFDRT-JTQLQIEISA-N	-1	0	293.279	0.062	20	30		CCEDRM
C=CCN1CC[C@@H](OC(=O)[C@H](C(=O)[O-])C2CC2)C1=O	ZINC001588465653	958506423	/nfs/dbraw/zinc/50/64/23/958506423.db2.gz	VYXZHZUFJDGOTC-ZJUUUORDSA-N	-1	0	267.281	0.427	20	30		CCEDRM
C=CCn1c(CCO)nnc1N1CCC[C@@H](C(=O)[O-])C1	ZINC001588472574	958545138	/nfs/dbraw/zinc/54/51/38/958545138.db2.gz	PFZGTGRIAUDMDZ-SNVBAGLBSA-N	-1	0	280.328	0.300	20	30		CCEDRM
C[C@H]1CCN(C(=O)CSCC#N)[C@@H](C(=O)[O-])C1	ZINC000125438769	958565368	/nfs/dbraw/zinc/56/53/68/958565368.db2.gz	IEOHOAOWHUPRIH-DTWKUNHWSA-N	-1	0	256.327	0.955	20	30		CCEDRM
N#Cc1cccc(NCC(=O)NCC(=O)[O-])c1[N+](=O)[O-]	ZINC000125759812	958571058	/nfs/dbraw/zinc/57/10/58/958571058.db2.gz	PDVPXFFFGMKYPN-UHFFFAOYSA-N	-1	0	278.224	0.079	20	30		CCEDRM
COc1ncc(NC(=O)N[C@@H](C)C(=O)[O-])cc1C#N	ZINC001594160358	958877864	/nfs/dbraw/zinc/87/78/64/958877864.db2.gz	CMOXAYYYVQRHDQ-LURJTMIESA-N	-1	0	264.241	0.556	20	30		CCEDRM
C[C@@](C#N)(CC(=O)[O-])C(=O)N[C@H]1CCN(CC(F)F)C1	ZINC001588538017	958937371	/nfs/dbraw/zinc/93/73/71/958937371.db2.gz	CBFHINJHEPXKKQ-UFBFGSQYSA-N	-1	0	289.282	0.447	20	30		CCEDRM
C[C@H](C#N)C(=O)NC[C@H]1CCC2(CC(C(=O)[O-])C2)O1	ZINC001588543432	958979638	/nfs/dbraw/zinc/97/96/38/958979638.db2.gz	LTHYNEYJYJJCAA-SUIRZZFNSA-N	-1	0	266.297	0.675	20	30		CCEDRM
C[C@@H](C#N)OCCOC(=O)C1(C(=O)[O-])CC=CC1	ZINC001588544081	958986763	/nfs/dbraw/zinc/98/67/63/958986763.db2.gz	YSMWKSQLVUQTMV-VIFPVBQESA-N	-1	0	253.254	0.879	20	30		CCEDRM
C#CC[C@H](NC(=O)c1c(C)oc2nc[nH]c(=O)c21)C(=O)[O-]	ZINC000149559069	959020037	/nfs/dbraw/zinc/02/00/37/959020037.db2.gz	SNKLLVWNIRPCKJ-ZETCQYMHSA-N	-1	0	289.247	0.031	20	30		CCEDRM
C#CC[C@H](NC(=O)[C@H](C)Oc1ccc(C#N)cc1)C(=O)[O-]	ZINC000149803355	959026765	/nfs/dbraw/zinc/02/67/65/959026765.db2.gz	LVYPIEAUZPEPNP-GWCFXTLKSA-N	-1	0	286.287	0.918	20	30		CCEDRM
C#CC[C@H](NC(=O)COc1ccc(C#N)cc1)C(=O)[O-]	ZINC000149857953	959028524	/nfs/dbraw/zinc/02/85/24/959028524.db2.gz	YTUWLXSWNTWIEU-LBPRGKRZSA-N	-1	0	272.260	0.530	20	30		CCEDRM
C#CC[C@H](NC(=O)[C@H](C)Oc1ccccc1C#N)C(=O)[O-]	ZINC000149904853	959030884	/nfs/dbraw/zinc/03/08/84/959030884.db2.gz	OKURQGSJRDEBSO-JQWIXIFHSA-N	-1	0	286.287	0.918	20	30		CCEDRM
CCN(CCS(=O)(=O)c1cccc(C#N)c1)CC(=O)[O-]	ZINC000163335465	959231816	/nfs/dbraw/zinc/23/18/16/959231816.db2.gz	HXYBLARHIXDXGQ-UHFFFAOYSA-N	-1	0	296.348	0.738	20	30		CCEDRM
C#CCN(C)S(=O)(=O)c1ccc(F)c(C(=O)[O-])c1F	ZINC000164452278	959258258	/nfs/dbraw/zinc/25/82/58/959258258.db2.gz	GAUMVXAINXGENL-UHFFFAOYSA-N	-1	0	289.259	0.917	20	30		CCEDRM
C[C@@]1(C#N)CN(C(=O)Nc2ccnc(C(=O)[O-])c2)CCO1	ZINC001573644280	959632342	/nfs/dbraw/zinc/63/23/42/959632342.db2.gz	XLWJCFOESAKXDT-CYBMUJFWSA-N	-1	0	290.279	0.926	20	30		CCEDRM
Cc1nnc(CNC(=O)[C@](C)(C#N)CC(=O)[O-])n1C1CC1	ZINC001594491275	959712763	/nfs/dbraw/zinc/71/27/63/959712763.db2.gz	OUKFLZUOFDKPGC-ZDUSSCGKSA-N	-1	0	291.311	0.542	20	30		CCEDRM
C#CCNC(=O)COc1cc(C(=O)[O-])ccc1[N+](=O)[O-]	ZINC000219334437	959793214	/nfs/dbraw/zinc/79/32/14/959793214.db2.gz	CZKRJOQTXSMOMG-UHFFFAOYSA-N	-1	0	278.220	0.421	20	30		CCEDRM
N#Cc1ccc(F)cc1CN1C[C@@H](O)C[C@H]1C(=O)[O-]	ZINC000229088373	960057284	/nfs/dbraw/zinc/05/72/84/960057284.db2.gz	AVRLQTRGQLDKLF-RYUDHWBXSA-N	-1	0	264.256	0.717	20	30		CCEDRM
Cc1cc(C#N)nc(N2CCOC[C@H]2CC(=O)[O-])n1	ZINC000231894254	960214444	/nfs/dbraw/zinc/21/44/44/960214444.db2.gz	BXJZPYPGKJTHCC-SNVBAGLBSA-N	-1	0	262.269	0.337	20	30		CCEDRM
CC(C)CN(CC(=O)[O-])S(=O)(=O)c1cccnc1C#N	ZINC000232584722	960285067	/nfs/dbraw/zinc/28/50/67/960285067.db2.gz	SDVPEWLPDWWRKN-UHFFFAOYSA-N	-1	0	297.336	0.685	20	30		CCEDRM
C[C@](CO)(NC(=O)c1[nH]c2ccccc2c1C#N)C(=O)[O-]	ZINC001571029435	960458151	/nfs/dbraw/zinc/45/81/51/960458151.db2.gz	MPDLKVTXGLCJSV-CQSZACIVSA-N	-1	0	287.275	0.605	20	30		CCEDRM
CN(C(=O)c1cc(C#N)c[nH]1)[C@@H](COC1CCC1)C(=O)[O-]	ZINC001571041132	960576100	/nfs/dbraw/zinc/57/61/00/960576100.db2.gz	BAVFQZSXPZTYHC-LBPRGKRZSA-N	-1	0	291.307	0.981	20	30		CCEDRM
C#CC[C@H](NC(=O)c1ccnc(Cl)c1)C(=O)[O-]	ZINC000236449480	960618891	/nfs/dbraw/zinc/61/88/91/960618891.db2.gz	DHPANMAJOWNXHY-QMMMGPOBSA-N	-1	0	252.657	0.941	20	30		CCEDRM
Cc1cc(N2C[C@H]3COC[C@@]3(C(=O)[O-])C2)ncc1C#N	ZINC001574334194	960903806	/nfs/dbraw/zinc/90/38/06/960903806.db2.gz	WXRPGUPUQXQZLL-FZMZJTMJSA-N	-1	0	273.292	0.799	20	30		CCEDRM
Cc1ncc(NC(=O)[C@@](C)(C#N)CC(=O)[O-])cc1C(N)=O	ZINC001574428832	961379866	/nfs/dbraw/zinc/37/98/66/961379866.db2.gz	JKYAJDNFSYNGAR-CYBMUJFWSA-N	-1	0	290.279	0.432	20	30		CCEDRM
Cn1nc(C(=O)[O-])cc1C(=O)NCc1ccc(C#N)cn1	ZINC001574465603	961563994	/nfs/dbraw/zinc/56/39/94/961563994.db2.gz	LZQUMYMHCUBSLX-UHFFFAOYSA-N	-1	0	285.263	0.315	20	30		CCEDRM
N#Cc1c(N)sc2c1CCN(C(=O)CCC(=O)[O-])C2	ZINC001574479003	961646590	/nfs/dbraw/zinc/64/65/90/961646590.db2.gz	BAODYJIJQGLMNG-UHFFFAOYSA-N	-1	0	279.321	0.951	20	30		CCEDRM
N#CC1(C(=O)N2C[C@H]3COC[C@@]3(C(=O)[O-])C2)CCCC1	ZINC001574480481	961664618	/nfs/dbraw/zinc/66/46/18/961664618.db2.gz	KGJXDTSMBIGOHU-HZMBPMFUSA-N	-1	0	278.308	0.630	20	30		CCEDRM
N#C[C@]1(C(=O)Nc2cnn(CC(=O)[O-])c2)CCCOC1	ZINC001574481340	961673226	/nfs/dbraw/zinc/67/32/26/961673226.db2.gz	ZNHJSFBBAIKGNZ-GFCCVEGCSA-N	-1	0	278.268	0.227	20	30		CCEDRM
N#Cc1ccc(NC(=O)N[C@]2(C(=O)[O-])CCOC2)nc1	ZINC001574487505	961687796	/nfs/dbraw/zinc/68/77/96/961687796.db2.gz	BJYPZUVUUCMFEK-GFCCVEGCSA-N	-1	0	276.252	0.318	20	30		CCEDRM
N#Cc1ccc(CNC(=O)N[C@H]2C[C@H](C(=O)[O-])C2)nc1	ZINC001574488531	961696136	/nfs/dbraw/zinc/69/61/36/961696136.db2.gz	REVFQUZNDWOZOH-HOMQSWHASA-N	-1	0	274.280	0.616	20	30		CCEDRM
N#Cc1cccc(N2C[C@H]3COC[C@@]3(C(=O)[O-])C2)n1	ZINC001574489749	961706085	/nfs/dbraw/zinc/70/60/85/961706085.db2.gz	NRYHFPRDHLMDRS-ZANVPECISA-N	-1	0	259.265	0.491	20	30		CCEDRM
N#Cc1cccc([C@H](O)CN2CCOC[C@@H]2C(=O)[O-])c1	ZINC001574490062	961711538	/nfs/dbraw/zinc/71/15/38/961711538.db2.gz	TWZJBNWYLCXQHD-CHWSQXEVSA-N	-1	0	276.292	0.377	20	30		CCEDRM
N#Cc1cnccc1NC(=O)[C@H]1CC[C@@H](C(=O)[O-])C1	ZINC001574493236	961719200	/nfs/dbraw/zinc/71/92/00/961719200.db2.gz	KTRZXFVVELCWTF-DTWKUNHWSA-N	-1	0	259.265	0.815	20	30		CCEDRM
CN(C(=O)c1cnc(C(=O)[O-])cn1)c1cc(C#N)ccn1	ZINC001573983644	961785402	/nfs/dbraw/zinc/78/54/02/961785402.db2.gz	WSQFTKJIUKFGGI-UHFFFAOYSA-N	-1	0	283.247	0.718	20	30		CCEDRM
CC(C)CN1CCN(C(=O)[C@@](C)(C#N)CC(=O)[O-])CC1=O	ZINC001588870217	962049713	/nfs/dbraw/zinc/04/97/13/962049713.db2.gz	AWQAMOSKBZGSBO-CQSZACIVSA-N	-1	0	295.339	0.318	20	30		CCEDRM
C#CC[C@H](NC(=O)c1cc(-c2ccco2)n[nH]1)C(=O)[O-]	ZINC001573302812	962663355	/nfs/dbraw/zinc/66/33/55/962663355.db2.gz	GLLHBDLWKKKZMI-QMMMGPOBSA-N	-1	0	273.248	0.876	20	30		CCEDRM
C#Cc1ccc(C(=O)N[C@H]2C[C@@H](C(=O)[O-])[C@@H]3C[C@@H]32)cn1	ZINC001573312438	962723228	/nfs/dbraw/zinc/72/32/28/962723228.db2.gz	UAHAPYCPNICDJO-XQHKEYJVSA-N	-1	0	270.288	0.902	20	30		CCEDRM
C=C(C)CCN1CC(NC(=O)[C@H]2C[C@@H]2C(=O)[O-])C1	ZINC001573324560	962786468	/nfs/dbraw/zinc/78/64/68/962786468.db2.gz	UXEONNGMJSTKEJ-QWRGUYRKSA-N	-1	0	252.314	0.474	20	30		CCEDRM
C=C(CCC(=O)[O-])C(=O)NCCCc1nc(C)no1	ZINC001573331983	962822136	/nfs/dbraw/zinc/82/21/36/962822136.db2.gz	BSIJXGHKBUQKPR-UHFFFAOYSA-N	-1	0	267.285	0.848	20	30		CCEDRM
C[C@H](CC(=O)[O-])NC(=O)C(=O)Nc1ccc(C#N)c(F)c1	ZINC001588994380	962828979	/nfs/dbraw/zinc/82/89/79/962828979.db2.gz	RJOXKNXVPWNRMA-SSDOTTSWSA-N	-1	0	293.254	0.615	20	30		CCEDRM
C=C(CCC(=O)[O-])C(=O)NC[C@@H](CO)CC1CC1	ZINC001573332663	962838840	/nfs/dbraw/zinc/83/88/40/962838840.db2.gz	MQZTZCOXAWOJED-NSHDSACASA-N	-1	0	255.314	0.932	20	30		CCEDRM
C=C(CCC(=O)[O-])C(=O)NCCCO[C@H]1CCOC1	ZINC001573332821	962844738	/nfs/dbraw/zinc/84/47/38/962844738.db2.gz	PVHDKLHTMNIQPF-NSHDSACASA-N	-1	0	271.313	0.719	20	30		CCEDRM
C=CC(C)(C)NC(=O)NC[C@H]1CCO[C@H]1C(=O)[O-]	ZINC001573348467	962959123	/nfs/dbraw/zinc/95/91/23/962959123.db2.gz	XJKCMBOIQUWRII-RKDXNWHRSA-N	-1	0	256.302	0.740	20	30		CCEDRM
C=CCCCC(=O)N1CC[C@@H]1CN(C)C(=O)CNC(=O)[O-]	ZINC001573356557	963007821	/nfs/dbraw/zinc/00/78/21/963007821.db2.gz	DMOGKSPYNYNTOD-LLVKDONJSA-N	-1	0	297.355	0.670	20	30		CCEDRM
Cc1cc(C(=O)N2CC(NC(=O)[O-])C2)ncc1C#N	ZINC001570976516	963056600	/nfs/dbraw/zinc/05/66/00/963056600.db2.gz	KKNQAHFRZGKJDZ-UHFFFAOYSA-N	-1	0	260.253	0.354	20	30		CCEDRM
C=CCNS(=O)(=O)c1ccc(C(=O)[O-])c([N+](=O)[O-])c1	ZINC001573368427	963080257	/nfs/dbraw/zinc/08/02/57/963080257.db2.gz	LYHVVJPMRVIIRO-UHFFFAOYSA-N	-1	0	286.265	0.757	20	30		CCEDRM
C=CCN1CC[C@@H](N(C)C(=O)[C@H]2CC[C@@H](C(=O)[O-])C2)C1=O	ZINC001573368692	963085033	/nfs/dbraw/zinc/08/50/33/963085033.db2.gz	PEOXHEZLIQBUAC-QJPTWQEYSA-N	-1	0	294.351	0.733	20	30		CCEDRM
N#Cc1cnccc1NC(=O)c1cc(C(=O)[O-])on1	ZINC001570980644	963088943	/nfs/dbraw/zinc/08/89/43/963088943.db2.gz	YPVXGFMXHCPCGN-UHFFFAOYSA-N	-1	0	258.193	0.314	20	30		CCEDRM
N#Cc1c[nH]c2cc(C(=O)N[C@@H](CO)C(=O)[O-])ccc12	ZINC001571000051	963215908	/nfs/dbraw/zinc/21/59/08/963215908.db2.gz	YWOUVZQUDMSKMN-NSHDSACASA-N	-1	0	273.248	0.215	20	30		CCEDRM
N#Cc1cccc(NC(=O)N2CC[C@](O)(C(=O)[O-])C2)n1	ZINC001571005167	963236773	/nfs/dbraw/zinc/23/67/73/963236773.db2.gz	FMXHHGRGRMDMSW-GFCCVEGCSA-N	-1	0	276.252	0.007	20	30		CCEDRM
N#Cc1cc(C(=O)NC[C@@H](C(=O)[O-])[C@@H]2CCOC2)co1	ZINC001571008001	963255530	/nfs/dbraw/zinc/25/55/30/963255530.db2.gz	CHFNMWXTFVLDDL-LDYMZIIASA-N	-1	0	278.264	0.618	20	30		CCEDRM
C=C(CC)CNS(=O)(=O)N1CCC(C(=O)[O-])CC1	ZINC000313540506	963664299	/nfs/dbraw/zinc/66/42/99/963664299.db2.gz	RRBDRNBYVFXCKD-UHFFFAOYSA-N	-1	0	276.358	0.584	20	30		CCEDRM
C#Cc1cccc(NC(=O)NCCn2cc(C(=O)[O-])nn2)c1	ZINC000316257227	963996131	/nfs/dbraw/zinc/99/61/31/963996131.db2.gz	FXILGMHCVHCDNH-UHFFFAOYSA-N	-1	0	299.290	0.779	20	30		CCEDRM
CCN(C[C@H](C)C#N)S(=O)(=O)c1cc(C(=O)[O-])no1	ZINC000316262570	963996369	/nfs/dbraw/zinc/99/63/69/963996369.db2.gz	RTKJTFLMBPBJAM-SSDOTTSWSA-N	-1	0	287.297	0.543	20	30		CCEDRM
C#CCC[C@H](O)CNC(=O)c1ccoc1CC(=O)[O-]	ZINC001588435382	964021304	/nfs/dbraw/zinc/02/13/04/964021304.db2.gz	NZQZZEKLTWEJAH-VIFPVBQESA-N	-1	0	265.265	0.411	20	30		CCEDRM
C#CCCCCC(=O)N[C@@H](CCC1OCCO1)C(=O)[O-]	ZINC001588440533	964039615	/nfs/dbraw/zinc/03/96/15/964039615.db2.gz	YXBCIBBQTHXJNF-NSHDSACASA-N	-1	0	283.324	0.903	20	30		CCEDRM
C#CCN(CC(=O)[O-])C(=O)NCC(C)(C)OCC	ZINC000159666575	967652366	/nfs/dbraw/zinc/65/23/66/967652366.db2.gz	QBPWDRAROYVPII-UHFFFAOYSA-N	-1	0	256.302	0.531	20	30		CCEDRM
C#CCN(CC(=O)[O-])C(=O)NCc1ncc(C)s1	ZINC000235805240	967768418	/nfs/dbraw/zinc/76/84/18/967768418.db2.gz	QEQWYLSIILBJJW-UHFFFAOYSA-N	-1	0	267.310	0.681	20	30		CCEDRM
C#CCN(CC(=O)[O-])C(=O)NCc1nnc(C)s1	ZINC000391792113	968191442	/nfs/dbraw/zinc/19/14/42/968191442.db2.gz	GTSFUJLNAXAQNE-UHFFFAOYSA-N	-1	0	268.298	0.076	20	30		CCEDRM
C#CCN(CC(=O)[O-])c1nnc(-c2cccnn2)n1CC=C	ZINC001588426408	969881706	/nfs/dbraw/zinc/88/17/06/969881706.db2.gz	IZNVSTYKQVDWBB-UHFFFAOYSA-N	-1	0	298.306	0.445	20	30		CCEDRM
C[C@](C#N)(CC(=O)[O-])C(=O)OCC(=O)NC1(C#N)CCC1	ZINC001609693014	970452239	/nfs/dbraw/zinc/45/22/39/970452239.db2.gz	NGZBRZFYYOTCCY-GFCCVEGCSA-N	-1	0	293.279	0.097	20	30		CCEDRM
CC[C@H](NC(=O)[C@@](C)(C#N)CC(=O)[O-])C(OC)OC	ZINC001610133283	970680396	/nfs/dbraw/zinc/68/03/96/970680396.db2.gz	LJSCPCBYBUTEIS-QPUJVOFHSA-N	-1	0	272.301	0.505	20	30		CCEDRM
CCc1nc(NC(=O)[C@@](C)(C#N)CC(=O)[O-])n[nH]1	ZINC001610437812	970743462	/nfs/dbraw/zinc/74/34/62/970743462.db2.gz	HBNLSWDMIPJVID-SNVBAGLBSA-N	-1	0	251.246	0.310	20	30		CCEDRM
CN(CCNC(=O)[C@@](C)(C#N)CC(=O)[O-])CC(F)F	ZINC001604174897	972591675	/nfs/dbraw/zinc/59/16/75/972591675.db2.gz	JRIXMIJEWBNDOT-LLVKDONJSA-N	-1	0	277.271	0.304	20	30		CCEDRM
Cc1cccc(NC(=O)C(=O)N(C)CCC(=O)[O-])c1C#N	ZINC001605340891	973233380	/nfs/dbraw/zinc/23/33/80/973233380.db2.gz	WNLJVEFQDMBNES-UHFFFAOYSA-N	-1	0	289.291	0.738	20	30		CCEDRM
CO[C@@H](C(=O)[O-])C(=O)Nc1nn(C(C)(C)C)cc1C#N	ZINC001604442560	973250040	/nfs/dbraw/zinc/25/00/40/973250040.db2.gz	WNONRDAWAHHNGW-MRVPVSSYSA-N	-1	0	280.284	0.548	20	30		CCEDRM
CO[C@@](C)(C(=O)[O-])C(=O)[C@@H](C#N)c1nccn1C	ZINC001604450826	973279429	/nfs/dbraw/zinc/27/94/29/973279429.db2.gz	NARYNJHELINCRC-RDDDGLTNSA-N	-1	0	251.242	0.086	20	30		CCEDRM
COC[C@@]1(C(=O)[O-])CCN(Cc2nc(C#N)cs2)C1	ZINC001604541717	973524892	/nfs/dbraw/zinc/52/48/92/973524892.db2.gz	SZOJXAFRDGNALM-GFCCVEGCSA-N	-1	0	281.337	0.938	20	30		CCEDRM
Cc1ccnc(N2C[C@H](C(=O)[O-])C[C@H](O)C2)c1C#N	ZINC000401968047	973574042	/nfs/dbraw/zinc/57/40/42/973574042.db2.gz	HQGIEVDQPOHMMH-ZJUUUORDSA-N	-1	0	261.281	0.534	20	30		CCEDRM
Cn1c(=O)sc2cc(C=NNCCC(=O)[O-])ccc21	ZINC001605467703	973578409	/nfs/dbraw/zinc/57/84/09/973578409.db2.gz	SKYJSZQGXKYWMW-UHFFFAOYSA-N	-1	0	279.321	0.998	20	30		CCEDRM
N#CCC1(CNC(=O)N[C@H]2C[C@@H](C(=O)[O-])C2)CC1	ZINC001605582016	973864363	/nfs/dbraw/zinc/86/43/63/973864363.db2.gz	RROUPYCEJWEYDD-DTORHVGOSA-N	-1	0	251.286	0.843	20	30		CCEDRM
N#CC1(NC(=O)CN(CC(=O)[O-])C2CCOCC2)CCC1	ZINC001605583431	973873413	/nfs/dbraw/zinc/87/34/13/973873413.db2.gz	UIUSOSIKRTWIBW-UHFFFAOYSA-N	-1	0	295.339	0.114	20	30		CCEDRM
N#Cc1c2ccccc2[nH]c1C(=O)N1CCO[C@@H](C(=O)[O-])C1	ZINC001605590956	973886084	/nfs/dbraw/zinc/88/60/84/973886084.db2.gz	PGXTYWDNMZJNFD-GFCCVEGCSA-N	-1	0	299.286	0.965	20	30		CCEDRM
N#Cc1ccc(C(=O)N(CC(=O)[O-])CC2CC2)cn1	ZINC001605597226	973896614	/nfs/dbraw/zinc/89/66/14/973896614.db2.gz	HUWJFODEOKSAKC-UHFFFAOYSA-N	-1	0	259.265	0.890	20	30		CCEDRM
N#Cc1ccc(NCC(=O)N2CCC[C@@H](C(=O)[O-])C2)nc1	ZINC001605612582	973926744	/nfs/dbraw/zinc/92/67/44/973926744.db2.gz	NLBNZXIOTAFSGH-LLVKDONJSA-N	-1	0	288.307	0.688	20	30		CCEDRM
N#Cc1ccc(NCC(=O)N2CCOC[C@H]2C(=O)[O-])cc1	ZINC001605612942	973929181	/nfs/dbraw/zinc/92/91/81/973929181.db2.gz	UEWCRJIIJVGWMB-LBPRGKRZSA-N	-1	0	289.291	0.282	20	30		CCEDRM
CC(C)OCC(=O)N1CCC(C#N)(C(=O)[O-])CC1	ZINC001591702095	975548512	/nfs/dbraw/zinc/54/85/12/975548512.db2.gz	KBJYPWDULBRZCD-UHFFFAOYSA-N	-1	0	254.286	0.628	20	30		CCEDRM
CC(C)[C@H](NC(=O)CN1CCC[C@](C)(C#N)C1)C(=O)[O-]	ZINC001591866745	976174954	/nfs/dbraw/zinc/17/49/54/976174954.db2.gz	LARZJANJNNLJJT-GXTWGEPZSA-N	-1	0	281.356	0.837	20	30		CCEDRM
CC(C)[C@H](NC(=O)COC(=O)C#CC1CC1)C(=O)[O-]	ZINC001591871473	976210519	/nfs/dbraw/zinc/21/05/19/976210519.db2.gz	DSSOIRFTKRJOJJ-LBPRGKRZSA-N	-1	0	267.281	0.168	20	30		CCEDRM
CC(C)[C@H](O)C(=O)N1CCC(C#N)(C(=O)[O-])CC1	ZINC001591907302	976311031	/nfs/dbraw/zinc/31/10/31/976311031.db2.gz	KRCRYFAWBYQHIZ-VIFPVBQESA-N	-1	0	254.286	0.220	20	30		CCEDRM
C=CCOCCCNC(=O)N[C@H]1C[C@@H](C(=O)[O-])C1	ZINC000693410394	976623884	/nfs/dbraw/zinc/62/38/84/976623884.db2.gz	DSYLARSLLSGQKM-AOOOYVTPSA-N	-1	0	256.302	0.742	20	30		CCEDRM
C[C@H](/C=C\C(=O)[O-])NS(=O)(=O)CC1(C#N)CC1	ZINC001592220376	977394060	/nfs/dbraw/zinc/39/40/60/977394060.db2.gz	XJVUKZORTBKEDU-YAJNLLPGSA-N	-1	0	258.299	0.239	20	30		CCEDRM
C[C@@H](CC#N)NC(=O)C(=O)Nc1cc(C(=O)[O-])cs1	ZINC001592221773	977402768	/nfs/dbraw/zinc/40/27/68/977402768.db2.gz	NJLUPDLLNMCXEM-LURJTMIESA-N	-1	0	281.293	0.803	20	30		CCEDRM
C[C@H](CC#N)NS(=O)(=O)[C@@H]1CCCC[C@@H]1C(=O)[O-]	ZINC001592222589	977409110	/nfs/dbraw/zinc/40/91/10/977409110.db2.gz	ZBNJUVNSXQJZDR-KXUCPTDWSA-N	-1	0	274.342	0.851	20	30		CCEDRM
C[C@@H](CC(=O)[O-])CC(=O)N1CCO[C@](C)(C#N)C1	ZINC001592375958	977915124	/nfs/dbraw/zinc/91/51/24/977915124.db2.gz	YHJDWNSFHXMMCU-BXKDBHETSA-N	-1	0	254.286	0.628	20	30		CCEDRM
C[C@](CCF)(NS(=O)(=O)CC1(C#N)CCC1)C(=O)[O-]	ZINC001592506371	978318894	/nfs/dbraw/zinc/31/88/94/978318894.db2.gz	AFDNPWGIUOSFHR-SNVBAGLBSA-N	-1	0	292.332	0.803	20	30		CCEDRM
C[C@H](CS(=O)(=O)NCC1CCC(C#N)CC1)C(=O)[O-]	ZINC001592807005	979472910	/nfs/dbraw/zinc/47/29/10/979472910.db2.gz	BVVJHZGBBQLELB-KPPDAEKUSA-N	-1	0	288.369	0.956	20	30		CCEDRM
CC[C@@H](CNC(=O)[C@H](C)C#N)Nc1ncc(C(=O)[O-])cn1	ZINC001595135057	979571461	/nfs/dbraw/zinc/57/14/61/979571461.db2.gz	ISGLCWAZFXACCY-SCZZXKLOSA-N	-1	0	291.311	0.641	20	30		CCEDRM
C[C@H](Cc1c[nH]cn1)C(=O)N(CC#N)CCC(=O)[O-]	ZINC001592906395	979845826	/nfs/dbraw/zinc/84/58/26/979845826.db2.gz	GJPASPSAZRUZHC-SECBINFHSA-N	-1	0	264.285	0.415	20	30		CCEDRM
CC[C@H](C(=O)[O-])C(=O)O[C@H](C)C(=O)N(C)CCC#N	ZINC001594766506	981722354	/nfs/dbraw/zinc/72/23/54/981722354.db2.gz	XNFHITDEPSPSAH-RKDXNWHRSA-N	-1	0	270.285	0.401	20	30		CCEDRM
CC#CC[C@H](NC(=O)OC(C)(C)C)C(=O)NCC(=O)[O-]	ZINC001573496965	983048603	/nfs/dbraw/zinc/04/86/03/983048603.db2.gz	BOVGNFQAURTAII-VIFPVBQESA-N	-1	0	284.312	0.494	20	30		CCEDRM
C[C@H](C(=O)NCCCCCC(=O)[O-])n1cnc(C#N)n1	ZINC001573590999	983066959	/nfs/dbraw/zinc/06/69/59/983066959.db2.gz	QPOQIKCPJAMYFL-SECBINFHSA-N	-1	0	279.300	0.472	20	30		CCEDRM
C#CC(C)(C)N(C)S(=O)(=O)c1cc(C(=O)[O-])no1	ZINC001588367589	983300394	/nfs/dbraw/zinc/30/03/94/983300394.db2.gz	ZAOTYHUOOVIXHD-UHFFFAOYSA-N	-1	0	272.282	0.405	20	30		CCEDRM
C#C[C@H](C)N(C)S(=O)(=O)[C@H]1CCCC[C@H]1C(=O)[O-]	ZINC001588368492	983306579	/nfs/dbraw/zinc/30/65/79/983306579.db2.gz	OBOHORBZLYMPEK-AXFHLTTASA-N	-1	0	273.354	0.913	20	30		CCEDRM
C#C[C@@H](CO)NC(=O)Nc1cc(C(=O)[O-])c(F)cc1F	ZINC001588371210	983325998	/nfs/dbraw/zinc/32/59/98/983325998.db2.gz	YVYSYGLZTROKSS-LURJTMIESA-N	-1	0	284.218	0.779	20	30		CCEDRM
C#C[C@@H](NCc1cc(C(=O)[O-])no1)[C@@H]1CCCO1	ZINC001588377080	983355248	/nfs/dbraw/zinc/35/52/48/983355248.db2.gz	IUYFXFXFUBSUDF-KOLCDFICSA-N	-1	0	250.254	0.643	20	30		CCEDRM
C#CC1(O)CN(C(=O)Nc2ccc(C(=O)[O-])cc2OC)C1	ZINC001588379289	983363585	/nfs/dbraw/zinc/36/35/85/983363585.db2.gz	BSIDFRQXKBBYHX-UHFFFAOYSA-N	-1	0	290.275	0.605	20	30		CCEDRM
C#CC1(O)CN(Cc2snc(OC)c2C(=O)[O-])C1	ZINC001588382185	983369087	/nfs/dbraw/zinc/36/90/87/983369087.db2.gz	JDPSKENJKOBDQX-UHFFFAOYSA-N	-1	0	268.294	0.030	20	30		CCEDRM
C#CC1(O)CN(c2ccc(CC(=O)[O-])cc2[N+](=O)[O-])C1	ZINC001588382189	983369130	/nfs/dbraw/zinc/36/91/30/983369130.db2.gz	JGHLYORWFGHBRJ-UHFFFAOYSA-N	-1	0	276.248	0.406	20	30		CCEDRM
C#CC1(O)CN(CC(=O)c2[nH]c(C)c(C(=O)[O-])c2C)C1	ZINC001588382679	983373281	/nfs/dbraw/zinc/37/32/81/983373281.db2.gz	SJDLAXIRKBPBSX-UHFFFAOYSA-N	-1	0	276.292	0.192	20	30		CCEDRM
C#CC1CCN(Cn2nc(C(=O)OC)cc2C(=O)[O-])CC1	ZINC001588383387	983380696	/nfs/dbraw/zinc/38/06/96/983380696.db2.gz	YCGPEMWBJSOPOQ-UHFFFAOYSA-N	-1	0	291.307	0.671	20	30		CCEDRM
C#C[C@H]1COCCN1C(=O)c1ccnc(C(=O)[O-])c1	ZINC001588383468	983381457	/nfs/dbraw/zinc/38/14/57/983381457.db2.gz	ANOOQTNOHJRWNC-JTQLQIEISA-N	-1	0	260.249	0.254	20	30		CCEDRM
C#CCC(C)(C)C(=O)N1CCC([C@@H](O)C(=O)[O-])CC1	ZINC001588383566	983382498	/nfs/dbraw/zinc/38/24/98/983382498.db2.gz	DMCVCEOUSVSAQF-LLVKDONJSA-N	-1	0	267.325	0.720	20	30		CCEDRM
C#CC[C@H](CO)NC(=O)Nc1ccc(C(=O)[O-])cn1	ZINC001588393130	983396463	/nfs/dbraw/zinc/39/64/63/983396463.db2.gz	BQOPFLCJXMXCNA-SECBINFHSA-N	-1	0	263.253	0.286	20	30		CCEDRM
C#CC[C@H](NC(=O)C(=O)c1ccc(C)cc1)C(=O)[O-]	ZINC001588393912	983400825	/nfs/dbraw/zinc/40/08/25/983400825.db2.gz	GHCJDXPJVOOHHV-NSHDSACASA-N	-1	0	259.261	0.770	20	30		CCEDRM
C#CC[C@@H](NC(=O)C1(C)COC(C)(C)OC1)C(=O)[O-]	ZINC001588398116	983411127	/nfs/dbraw/zinc/41/11/27/983411127.db2.gz	DBZJECJPRWQHDH-SECBINFHSA-N	-1	0	269.297	0.368	20	30		CCEDRM
C#CC[C@H](NC(=O)C1(Br)CC1)C(=O)[O-]	ZINC001588398131	983411277	/nfs/dbraw/zinc/41/12/77/983411277.db2.gz	DLTNXDSBJHVVDR-LURJTMIESA-N	-1	0	260.087	0.507	20	30		CCEDRM
C#CC[C@@H](NC(=O)COc1ccccc1C=O)C(=O)[O-]	ZINC001588404453	983417840	/nfs/dbraw/zinc/41/78/40/983417840.db2.gz	BSYOKXXNJBFCMV-LLVKDONJSA-N	-1	0	275.260	0.471	20	30		CCEDRM
C#CC[C@@H](NC(=O)[C@H](C)N(C)C(=O)OC(C)(C)C)C(=O)[O-]	ZINC001588407492	983428251	/nfs/dbraw/zinc/42/82/51/983428251.db2.gz	IJCMHYPZAKNTCN-VHSXEESVSA-N	-1	0	298.339	0.835	20	30		CCEDRM
C#CC[C@H](NC(=O)c1cc(C)c(C(=O)OC)o1)C(=O)[O-]	ZINC001588413555	983431151	/nfs/dbraw/zinc/43/11/51/983431151.db2.gz	ATOALDHPSOBSKB-QMMMGPOBSA-N	-1	0	279.248	0.581	20	30		CCEDRM
C#CC[C@H](NC(=O)c1c(C)nc2sccn21)C(=O)[O-]	ZINC001588413700	983431696	/nfs/dbraw/zinc/43/16/96/983431696.db2.gz	GOYPQXOFKYKRGN-QMMMGPOBSA-N	-1	0	277.305	0.911	20	30		CCEDRM
C#CC[C@H](NC(=O)c1cc(F)c(C=O)cc1F)C(=O)[O-]	ZINC001588414125	983433396	/nfs/dbraw/zinc/43/33/96/983433396.db2.gz	ORVGRXSTPCRRMJ-NSHDSACASA-N	-1	0	281.214	0.984	20	30		CCEDRM
C#CC[C@@H](NC(=O)c1cccc([N+](=O)[O-])c1N)C(=O)[O-]	ZINC001588415876	983436074	/nfs/dbraw/zinc/43/60/74/983436074.db2.gz	HSKBFOCCTADKBM-MRVPVSSYSA-N	-1	0	277.236	0.383	20	30		CCEDRM
C#CC[C@@H](NCc1cc(C(=O)[O-])co1)C(=O)OC	ZINC001588422025	983444050	/nfs/dbraw/zinc/44/40/50/983444050.db2.gz	FWKSPBWYRKDYNR-SNVBAGLBSA-N	-1	0	251.238	0.632	20	30		CCEDRM
C#CC[C@H](NC(=O)c1nc(CC)ncc1Cl)C(=O)[O-]	ZINC001588422601	983447243	/nfs/dbraw/zinc/44/72/43/983447243.db2.gz	ZVWXAGUCVKZUFY-QMMMGPOBSA-N	-1	0	281.699	0.899	20	30		CCEDRM
C#CC[C@@H](NS(=O)(=O)c1cccc(CC#N)c1)C(=O)[O-]	ZINC001588428205	983460452	/nfs/dbraw/zinc/46/04/52/983460452.db2.gz	FVVQQWAOMJPNKN-GFCCVEGCSA-N	-1	0	292.316	0.507	20	30		CCEDRM
C#CC[C@@H](NS(=O)(=O)c1ccccc1N)C(=O)[O-]	ZINC001588428239	983460487	/nfs/dbraw/zinc/46/04/87/983460487.db2.gz	GSESUYPFNGSVGI-SECBINFHSA-N	-1	0	268.294	0.024	20	30		CCEDRM
C#CC[C@H](NS(=O)(=O)c1cccc(CC#N)c1)C(=O)[O-]	ZINC001588428206	983460715	/nfs/dbraw/zinc/46/07/15/983460715.db2.gz	FVVQQWAOMJPNKN-LBPRGKRZSA-N	-1	0	292.316	0.507	20	30		CCEDRM
C#CCC[C@H](O)CNC(=O)Nc1ccc(C(=O)[O-])cn1	ZINC001588435113	983474849	/nfs/dbraw/zinc/47/48/49/983474849.db2.gz	CWAYSAOBSXCBJD-JTQLQIEISA-N	-1	0	277.280	0.676	20	30		CCEDRM
C#CCCCC(=O)N1CC[C@@]2(CC(C(=O)[O-])=NO2)C1	ZINC001588435230	983475208	/nfs/dbraw/zinc/47/52/08/983475208.db2.gz	HMGWUPAKTSFWGM-CYBMUJFWSA-N	-1	0	264.281	0.622	20	30		CCEDRM
C#CCCOC(=O)N1CCC2(CC(C(=O)[O-])=NO2)CC1	ZINC001588455518	983479889	/nfs/dbraw/zinc/47/98/89/983479889.db2.gz	OQKRHPIMQKDSPQ-UHFFFAOYSA-N	-1	0	280.280	0.842	20	30		CCEDRM
C#CCCOC(=O)N[C@@H](C(=O)[O-])C1CCOCC1	ZINC001588455740	983480495	/nfs/dbraw/zinc/48/04/95/983480495.db2.gz	RUYHMRBELWBICE-SNVBAGLBSA-N	-1	0	255.270	0.616	20	30		CCEDRM
C#CCCOC(=O)N[C@H](C(=O)[O-])c1ccn(C)n1	ZINC001588456062	983481178	/nfs/dbraw/zinc/48/11/78/983481178.db2.gz	YTFPMADUGMAZHS-VIFPVBQESA-N	-1	0	251.242	0.295	20	30		CCEDRM
C#CCCn1nnnc1N1C[C@@H](C(=O)[O-])[C@H](C2CC2)C1	ZINC001588458606	983483668	/nfs/dbraw/zinc/48/36/68/983483668.db2.gz	PXFDPLRDKRXLPO-WDEREUQCSA-N	-1	0	275.312	0.243	20	30		CCEDRM
C#CCN(C(=O)[C@H]1CC[C@@H](C(=O)[O-])O1)c1nccs1	ZINC001588460095	983486722	/nfs/dbraw/zinc/48/67/22/983486722.db2.gz	RTFIHLYCAAKNGY-BDAKNGLRSA-N	-1	0	280.305	0.742	20	30		CCEDRM
C#CCN(C)C(=O)C(=O)Nc1cccc(C(=O)[O-])c1C	ZINC001588461407	983490037	/nfs/dbraw/zinc/49/00/37/983490037.db2.gz	NZHMXAUDTCICQV-UHFFFAOYSA-N	-1	0	274.276	0.723	20	30		CCEDRM
C#CCN(CC#N)CC(=O)Nc1cccc(C(=O)[O-])c1	ZINC001588464785	983494636	/nfs/dbraw/zinc/49/46/36/983494636.db2.gz	LGACLVCOCIKJIF-UHFFFAOYSA-N	-1	0	271.276	0.782	20	30		CCEDRM
C#CCN(CC#C)C(=O)CCCn1ccc(C(=O)[O-])n1	ZINC001588464967	983495389	/nfs/dbraw/zinc/49/53/89/983495389.db2.gz	YLHKMQDDXJWFOB-UHFFFAOYSA-N	-1	0	273.292	0.457	20	30		CCEDRM
C#CCNC(=O)C1CCN(c2ncc(C(=O)[O-])cn2)CC1	ZINC001588479261	983518326	/nfs/dbraw/zinc/51/83/26/983518326.db2.gz	GLZFCKRZITUVBF-UHFFFAOYSA-N	-1	0	288.307	0.141	20	30		CCEDRM
C#CCNC(=O)[C@@H](C)N[C@@H](C)c1ncc(C(=O)[O-])s1	ZINC001588479386	983519090	/nfs/dbraw/zinc/51/90/90/983519090.db2.gz	LUGFTSMGMSDHMK-SFYZADRCSA-N	-1	0	281.337	0.630	20	30		CCEDRM
C#CCNC(=O)[C@@H](C)N1CCc2cc(C(=O)[O-])ccc2C1	ZINC001588479427	983519609	/nfs/dbraw/zinc/51/96/09/983519609.db2.gz	NQZFOCVRSNXUIW-LLVKDONJSA-N	-1	0	286.331	0.881	20	30		CCEDRM
C#CCNC(=O)[C@@H](CCC(=O)[O-])NC(=O)OC(C)(C)C	ZINC001588485205	983524633	/nfs/dbraw/zinc/52/46/33/983524633.db2.gz	IMZIQJXJYFZFHK-SECBINFHSA-N	-1	0	284.312	0.494	20	30		CCEDRM
C#CCOCCCOC(=O)[C@H]1CC[C@@H](C(=O)[O-])O1	ZINC001588490320	983532155	/nfs/dbraw/zinc/53/21/55/983532155.db2.gz	YYJYYWLNCLOGET-VHSXEESVSA-N	-1	0	256.254	0.202	20	30		CCEDRM
C#CCOCCNC(=O)N[C@H]1C[C@@H]2C[C@]2(C(=O)[O-])C1	ZINC001588491336	983535858	/nfs/dbraw/zinc/53/58/58/983535858.db2.gz	KFACYBHMHWTWAB-NRUUGDAUSA-N	-1	0	266.297	0.189	20	30		CCEDRM
C#CCOCCNC(=O)N1CCC(C#N)(C(=O)[O-])CC1	ZINC001588491374	983536049	/nfs/dbraw/zinc/53/60/49/983536049.db2.gz	LNGSRWGJCHCZKF-UHFFFAOYSA-N	-1	0	279.296	0.036	20	30		CCEDRM
C#Cc1ccc(C(=O)N[C@@H](CCF)C(=O)[O-])nc1	ZINC001588510473	983556105	/nfs/dbraw/zinc/55/61/05/983556105.db2.gz	FLZALFGGNMHRQO-JTQLQIEISA-N	-1	0	250.229	0.606	20	30		CCEDRM
C#Cc1ccc(C(=O)N[C@](C)(Cn2cccn2)C(=O)[O-])nc1	ZINC001588510859	983557569	/nfs/dbraw/zinc/55/75/69/983557569.db2.gz	MOGMMJUODIXPKP-OAHLLOKOSA-N	-1	0	298.302	0.533	20	30		CCEDRM
C#Cc1ccc(C(=O)N(OC)[C@@H](C)CC(=O)[O-])nc1	ZINC001588511480	983559899	/nfs/dbraw/zinc/55/98/99/983559899.db2.gz	WSQWAYPPZZUXTC-VIFPVBQESA-N	-1	0	262.265	0.930	20	30		CCEDRM
C#Cc1ccc(CNS(=O)(=O)N(C)CCC(=O)[O-])cc1	ZINC001588517061	983563208	/nfs/dbraw/zinc/56/32/08/983563208.db2.gz	JDQOJMMNYCIYSV-UHFFFAOYSA-N	-1	0	296.348	0.409	20	30		CCEDRM
C#Cc1cccc(NC(=O)CN(C)C(=O)CC(=O)[O-])c1	ZINC001588523911	983573790	/nfs/dbraw/zinc/57/37/90/983573790.db2.gz	YBNPCQBBWFMBQE-UHFFFAOYSA-N	-1	0	274.276	0.540	20	30		CCEDRM
C#Cc1cncc(C(=O)N(OC)[C@H](C)CC(=O)[O-])c1	ZINC001588528648	983577439	/nfs/dbraw/zinc/57/74/39/983577439.db2.gz	DEVYSNWENIMCEL-SECBINFHSA-N	-1	0	262.265	0.930	20	30		CCEDRM
C=C(C)[C@@H]1OCC[C@@H]1CN1C(=O)N[C@H](CCC(=O)[O-])C1=O	ZINC001588535431	983589020	/nfs/dbraw/zinc/58/90/20/983589020.db2.gz	OLTQKWIFHWKNPJ-FOGDFJRCSA-N	-1	0	296.323	0.753	20	30		CCEDRM
CCN(CC(=O)N[C@H](C(=O)[O-])C(C)C)[C@H](C)C#N	ZINC001596207185	983594239	/nfs/dbraw/zinc/59/42/39/983594239.db2.gz	QGNGNUGYNNGBLV-KOLCDFICSA-N	-1	0	255.318	0.446	20	30		CCEDRM
C=C(C)C[C@@H](NC(=O)C[C@@H]1CCC(=O)NC1)C(=O)[O-]	ZINC001588540158	983602611	/nfs/dbraw/zinc/60/26/11/983602611.db2.gz	BDMGRLBGLVSRQU-VHSXEESVSA-N	-1	0	268.313	0.438	20	30		CCEDRM
C=C(C)C[C@@H](NC(=O)CN1CC(C)(C)C1)C(=O)[O-]	ZINC001588543180	983611054	/nfs/dbraw/zinc/61/10/54/983611054.db2.gz	YAMPBVLDIMZIHR-SNVBAGLBSA-N	-1	0	254.330	0.864	20	30		CCEDRM
C=C(C)C[C@H](NC(=O)Cc1nnc(C)[nH]1)C(=O)[O-]	ZINC001588543771	983612300	/nfs/dbraw/zinc/61/23/00/983612300.db2.gz	NLSJHMMRTMGHAP-QMMMGPOBSA-N	-1	0	252.274	0.191	20	30		CCEDRM
CCN(CC(=O)[O-])CC(=O)N(CC)C[C@@H](C)C#N	ZINC001596222040	983612773	/nfs/dbraw/zinc/61/27/73/983612773.db2.gz	APMSLHODBYVVPB-JTQLQIEISA-N	-1	0	255.318	0.401	20	30		CCEDRM
C=C(C)C[C@H](NC(=O)c1cc(N)nn1C)C(=O)[O-]	ZINC001588546438	983615472	/nfs/dbraw/zinc/61/54/72/983615472.db2.gz	LCAAAPYTLKYTEY-ZETCQYMHSA-N	-1	0	252.274	0.152	20	30		CCEDRM
CCN(C[C@H](C)C#N)C(=O)c1cc(C(=O)[O-])nn1C	ZINC001596231948	983627817	/nfs/dbraw/zinc/62/78/17/983627817.db2.gz	ZCCMEPXDZNTQTK-MRVPVSSYSA-N	-1	0	264.285	0.740	20	30		CCEDRM
C=C(C)C[C@H](NS(=O)(=O)c1cccnc1F)C(=O)[O-]	ZINC001588555533	983635738	/nfs/dbraw/zinc/63/57/38/983635738.db2.gz	LISLHXCWZKRBHJ-QMMMGPOBSA-N	-1	0	288.300	0.918	20	30		CCEDRM
C=C(C)CCn1nnnc1N1CCO[C@H](CC(=O)[O-])C1	ZINC001588561701	983642954	/nfs/dbraw/zinc/64/29/54/983642954.db2.gz	YAPIYOILSMHXTK-SNVBAGLBSA-N	-1	0	281.316	0.319	20	30		CCEDRM
C=C(CCC(=O)[O-])C(=O)N1C[C@@H](CO)OC[C@@H]1C	ZINC001588612291	983702166	/nfs/dbraw/zinc/70/21/66/983702166.db2.gz	LQUDJFDIWXHFOO-UWVGGRQHSA-N	-1	0	257.286	0.016	20	30		CCEDRM
C=C(CCC(=O)[O-])C(=O)N1CC(OCC(F)F)C1	ZINC001588613638	983704788	/nfs/dbraw/zinc/70/47/88/983704788.db2.gz	ATPGLFOUZGEBKF-UHFFFAOYSA-N	-1	0	263.240	0.900	20	30		CCEDRM
C=C(CCC(=O)[O-])C(=O)N1CC[C@H](C(=O)N(C)C)C1	ZINC001588614448	983707646	/nfs/dbraw/zinc/70/76/46/983707646.db2.gz	VIIZBBSFEMGSAT-JTQLQIEISA-N	-1	0	268.313	0.344	20	30		CCEDRM
C=C(CCC(=O)[O-])C(=O)N[C@H](C)CO[C@H]1CCOC1	ZINC001588619268	983715870	/nfs/dbraw/zinc/71/58/70/983715870.db2.gz	PKUQAIKJUITFQG-MNOVXSKESA-N	-1	0	271.313	0.718	20	30		CCEDRM
C=C(CCC(=O)[O-])C(=O)N[C@H]1CCOC12CCOCC2	ZINC001588623180	983727014	/nfs/dbraw/zinc/72/70/14/983727014.db2.gz	KTQULSVUYSTTJD-NSHDSACASA-N	-1	0	283.324	0.862	20	30		CCEDRM
C=C(CCC(=O)[O-])C(=O)N[C@H]1CCS(=O)(=O)[C@H](C)C1	ZINC001588623174	983727021	/nfs/dbraw/zinc/72/70/21/983727021.db2.gz	KROUTDGDPGIQAW-ZJUUUORDSA-N	-1	0	289.353	0.489	20	30		CCEDRM
C=C(CCC(=O)[O-])C(=O)N[C@H]1CCc2c(nnn2C)C1	ZINC001588623335	983727650	/nfs/dbraw/zinc/72/76/50/983727650.db2.gz	ORGWPRGVWMCTCB-VIFPVBQESA-N	-1	0	278.312	0.210	20	30		CCEDRM
C=C(CCC(=O)[O-])C(=O)NC[C@H]1CCOC[C@@H]1OC	ZINC001588624464	983732715	/nfs/dbraw/zinc/73/27/15/983732715.db2.gz	JSDSZDYZHJZWLG-MNOVXSKESA-N	-1	0	271.313	0.575	20	30		CCEDRM
C=C(CCC(=O)[O-])C(=O)NCC[C@H](COC)OC	ZINC001588624669	983733775	/nfs/dbraw/zinc/73/37/75/983733775.db2.gz	RUKPOMCYOJFQHT-SNVBAGLBSA-N	-1	0	259.302	0.575	20	30		CCEDRM
C=C(CO)C(=O)N1CC[C@H](C(=O)[O-])[C@H]2CCC[C@H]21	ZINC001588637262	983759412	/nfs/dbraw/zinc/75/94/12/983759412.db2.gz	KWCMWYFLLFFYNH-OUAUKWLOSA-N	-1	0	253.298	0.637	20	30		CCEDRM
C=C(CO)C(=O)N1CC[C@H](C(=O)[O-])[C@@H]2CCC[C@@H]21	ZINC001588637259	983759568	/nfs/dbraw/zinc/75/95/68/983759568.db2.gz	KWCMWYFLLFFYNH-DCAQKATOSA-N	-1	0	253.298	0.637	20	30		CCEDRM
C=C(Cl)Cn1nnnc1N1C[C@@H](C)[C@H](CC(=O)[O-])C1	ZINC001588643530	983766459	/nfs/dbraw/zinc/76/64/59/983766459.db2.gz	JZNDHTHONPDECQ-VXNVDRBHSA-N	-1	0	285.735	0.973	20	30		CCEDRM
C=C[C@@H](C(=O)[O-])N1CCN(c2nccnc2C)CC1	ZINC001588669379	983812170	/nfs/dbraw/zinc/81/21/70/983812170.db2.gz	JXJMBEXCQIFAGA-NSHDSACASA-N	-1	0	262.313	0.546	20	30		CCEDRM
C=C[C@@H](C(=O)[O-])n1cc(CCNCC(F)(F)F)nn1	ZINC001588672796	983826833	/nfs/dbraw/zinc/82/68/33/983826833.db2.gz	YQFKIALOSHSCTC-QMMMGPOBSA-N	-1	0	278.234	0.784	20	30		CCEDRM
C=C[C@@](C)(O)C(=O)N(CCCOCC)C[C@H](C)C(=O)[O-]	ZINC001588682279	983843053	/nfs/dbraw/zinc/84/30/53/983843053.db2.gz	KWUKNTGPMHPYPV-SMDDNHRTSA-N	-1	0	287.356	0.899	20	30		CCEDRM
C=C[C@](C)(CCOC)C(=O)N1C[C@H](O)C[C@@H](C(=O)[O-])C1	ZINC001588682554	983843777	/nfs/dbraw/zinc/84/37/77/983843777.db2.gz	NRQUIWXTRXEZLJ-JTNHKYCSSA-N	-1	0	285.340	0.509	20	30		CCEDRM
C=C[C@](C)(CCOC)C(=O)Nc1n[nH]c(CC(=O)[O-])n1	ZINC001588682825	983845830	/nfs/dbraw/zinc/84/58/30/983845830.db2.gz	QVRSKWAAILALST-GFCCVEGCSA-N	-1	0	282.300	0.599	20	30		CCEDRM
C=C[C@@](C)(O)CC(=O)N[C@@]1(CC(=O)[O-])CCOC1	ZINC001588684340	983858606	/nfs/dbraw/zinc/85/86/06/983858606.db2.gz	OXXZWUJICOCIBF-VXGBXAGGSA-N	-1	0	257.286	0.064	20	30		CCEDRM
C=C[C@](C)(O)CC(=O)N[C@]1(CC(=O)[O-])CCOC1	ZINC001588684339	983859155	/nfs/dbraw/zinc/85/91/55/983859155.db2.gz	OXXZWUJICOCIBF-RYUDHWBXSA-N	-1	0	257.286	0.064	20	30		CCEDRM
C=C[C@@H](C)NC(=O)N1CC[C@@H](n2cc(C(=O)[O-])nn2)C1	ZINC001588687513	983870990	/nfs/dbraw/zinc/87/09/90/983870990.db2.gz	OPBXDNPXCAQPJS-RKDXNWHRSA-N	-1	0	279.300	0.507	20	30		CCEDRM
C=C[C@H](COC)NS(=O)(=O)c1ccc(C(=O)[O-])o1	ZINC001588692777	983886368	/nfs/dbraw/zinc/88/63/68/983886368.db2.gz	JRHMGWPXYFFVHF-SSDOTTSWSA-N	-1	0	275.282	0.457	20	30		CCEDRM
C=C[C@@H](O)C(=O)N1Cc2cc(O)ccc2C[C@H]1C(=O)[O-]	ZINC001588701816	983916697	/nfs/dbraw/zinc/91/66/97/983916697.db2.gz	ABDJPODWLTWYGQ-NWDGAFQWSA-N	-1	0	277.276	0.277	20	30		CCEDRM
C=C[C@H](Nc1ccc2c(c1)n(C)c(=O)n2C)C(=O)[O-]	ZINC001588702554	983920936	/nfs/dbraw/zinc/92/09/36/983920936.db2.gz	UNTJURZUSUNKSO-VIFPVBQESA-N	-1	0	261.281	0.928	20	30		CCEDRM
C=C[C@@H](OC(=O)CN1Cc2ccccc2C1=O)C(=O)[O-]	ZINC001588712474	983944482	/nfs/dbraw/zinc/94/44/82/983944482.db2.gz	WJPQBZLBLPQUQH-LLVKDONJSA-N	-1	0	275.260	0.825	20	30		CCEDRM
C=C[C@@H](OC(=O)c1ccc2c(c1)N(C)C(=O)CO2)C(=O)[O-]	ZINC001588713661	983950183	/nfs/dbraw/zinc/95/01/83/983950183.db2.gz	ZPWNWMNTVPBGIZ-SNVBAGLBSA-N	-1	0	291.259	0.838	20	30		CCEDRM
C=CC[C@H](C(=O)[O-])N1CCO[C@H]([C@@H]2CCCO2)C1	ZINC001588730976	984003191	/nfs/dbraw/zinc/00/31/91/984003191.db2.gz	AIWAFMJRRBEKDS-WOPDTQHZSA-N	-1	0	255.314	0.896	20	30		CCEDRM
C=CC[C@H](C(=O)[O-])N1CCO[C@@H](C(=O)C2CC2)C1	ZINC001588732214	984015946	/nfs/dbraw/zinc/01/59/46/984015946.db2.gz	WIDULPYCJFWQEQ-GHMZBOCLSA-N	-1	0	253.298	0.696	20	30		CCEDRM
C=CC[C@@H](C(=O)[O-])N1CCO[C@@H](C(=O)C2CC2)C1	ZINC001588732217	984016276	/nfs/dbraw/zinc/01/62/76/984016276.db2.gz	WIDULPYCJFWQEQ-WDEREUQCSA-N	-1	0	253.298	0.696	20	30		CCEDRM
C=CC[C@H](CO)NC(=O)N[C@H]1CC=C(C(=O)[O-])C1	ZINC001588743748	984039232	/nfs/dbraw/zinc/03/92/32/984039232.db2.gz	CKEIBSMSOIPPFE-VHSXEESVSA-N	-1	0	254.286	0.396	20	30		CCEDRM
C=CC[C@H](OC(=O)[C@@H](CC)N1CCCC1=O)C(=O)[O-]	ZINC001588752678	984082476	/nfs/dbraw/zinc/08/24/76/984082476.db2.gz	ZIKIWLDZUGMHHJ-ZJUUUORDSA-N	-1	0	269.297	0.960	20	30		CCEDRM
C=CC[C@@H](OC(=O)[C@@H]1C[C@H](C)[C@@H](C(=O)[O-])O1)C(=O)OC	ZINC001588756026	984095867	/nfs/dbraw/zinc/09/58/67/984095867.db2.gz	FQKGMYOAEAIQOM-JXUBOQSCSA-N	-1	0	286.280	0.526	20	30		CCEDRM
C=CC[C@@H](OC(=O)[C@@H]1C[C@H]1C(=O)OCC)C(=O)[O-]	ZINC001588756602	984098147	/nfs/dbraw/zinc/09/81/47/984098147.db2.gz	MDOBLZTYISUWQM-IWSPIJDZSA-N	-1	0	256.254	0.758	20	30		CCEDRM
C=CCC1(C(=O)N2C[C@H](O)C[C@H](C(=O)[O-])C2)CCOCC1	ZINC001588762663	984116819	/nfs/dbraw/zinc/11/68/19/984116819.db2.gz	LGTYIZZRAITWAY-NWDGAFQWSA-N	-1	0	297.351	0.653	20	30		CCEDRM
C=CCC1(C(=O)N[C@@H](Cn2cncn2)C(=O)[O-])CCC1	ZINC001588763014	984118196	/nfs/dbraw/zinc/11/81/96/984118196.db2.gz	PSZBZXDIUATFJC-JTQLQIEISA-N	-1	0	278.312	0.594	20	30		CCEDRM
C=CCC1(O)CN(C(=O)CCSCC(=O)[O-])C1	ZINC001588770774	984136267	/nfs/dbraw/zinc/13/62/67/984136267.db2.gz	GNXIEHSEYUMTST-UHFFFAOYSA-N	-1	0	259.327	0.344	20	30		CCEDRM
C=CCCC(=O)NC1(CNC(=O)[C@@H]2C[C@H]2C(=O)[O-])CC1	ZINC001588773903	984149897	/nfs/dbraw/zinc/14/98/97/984149897.db2.gz	MOMUDZQQHWSKAO-NXEZZACHSA-N	-1	0	280.324	0.438	20	30		CCEDRM
C=CCCC(=O)N[C@@H](CCC1OCCO1)C(=O)[O-]	ZINC001588774081	984150901	/nfs/dbraw/zinc/15/09/01/984150901.db2.gz	SAOARMJUQIEKDY-VIFPVBQESA-N	-1	0	257.286	0.675	20	30		CCEDRM
C=CCC[C@@H](CO)NC(=O)c1cc(C(=O)[O-])no1	ZINC001588777967	984158543	/nfs/dbraw/zinc/15/85/43/984158543.db2.gz	OAZKLAIJBFPWTF-ZETCQYMHSA-N	-1	0	254.242	0.430	20	30		CCEDRM
C=CCCCC(=O)N[C@H](C)CNc1ccnc(C(=O)[O-])n1	ZINC001588782253	984170954	/nfs/dbraw/zinc/17/09/54/984170954.db2.gz	AWWLPYCRVYGELC-SNVBAGLBSA-N	-1	0	292.339	0.870	20	30		CCEDRM
C=CCCC[C@H](NC(=O)[C@H](O)CC(=O)OCC)C(=O)[O-]	ZINC001588784955	984178833	/nfs/dbraw/zinc/17/88/33/984178833.db2.gz	DOHAPFROHFMRRZ-VHSXEESVSA-N	-1	0	287.312	0.226	20	30		CCEDRM
C=CCCC[C@@H](NC(=O)CCc1nnc[nH]1)C(=O)[O-]	ZINC001588788895	984194578	/nfs/dbraw/zinc/19/45/78/984194578.db2.gz	QMJWZQAZXIJYAP-SECBINFHSA-N	-1	0	266.301	0.663	20	30		CCEDRM
C=CCCC[C@@H](NC(=O)[C@H]1CN(C(C)=O)CCO1)C(=O)[O-]	ZINC001588790277	984205334	/nfs/dbraw/zinc/20/53/34/984205334.db2.gz	UQFPNEZAODDULB-VXGBXAGGSA-N	-1	0	298.339	0.159	20	30		CCEDRM
C=CCCC[C@H](NS(=O)(=O)N=S(C)(C)=O)C(=O)[O-]	ZINC001588798227	984234358	/nfs/dbraw/zinc/23/43/58/984234358.db2.gz	YKNKPZHFIKJQAK-QMMMGPOBSA-N	-1	0	298.386	0.358	20	30		CCEDRM
C=CCCCNC(=O)C(=O)Nc1cccc(C(=O)[O-])n1	ZINC001588803701	984251849	/nfs/dbraw/zinc/25/18/49/984251849.db2.gz	DUTCISWHFAUUSB-UHFFFAOYSA-N	-1	0	277.280	0.801	20	30		CCEDRM
C=CCCCNS(=O)(=O)c1cc(C(=O)[O-])cn1C	ZINC001588804007	984253486	/nfs/dbraw/zinc/25/34/86/984253486.db2.gz	UDUXPYUEJBMOJD-UHFFFAOYSA-N	-1	0	272.326	0.968	20	30		CCEDRM
C=CCCO[C@@H](C)C(=O)N[C@H](C(=O)[O-])c1ccn(C)n1	ZINC001588808521	984262363	/nfs/dbraw/zinc/26/23/63/984262363.db2.gz	FFUMICKPJRFUAN-ONGXEEELSA-N	-1	0	281.312	0.643	20	30		CCEDRM
C=CCCOC(=O)Cn1cccc(C(=O)[O-])c1=O	ZINC001588808686	984262856	/nfs/dbraw/zinc/26/28/56/984262856.db2.gz	KNCSDFXXXZRWBK-UHFFFAOYSA-N	-1	0	251.238	0.666	20	30		CCEDRM
C=CCCn1cc(C(=O)O[C@H](CC)C(=O)[O-])nn1	ZINC001588817155	984274804	/nfs/dbraw/zinc/27/48/04/984274804.db2.gz	AZFFSPDZPRBLKF-SECBINFHSA-N	-1	0	253.258	0.874	20	30		CCEDRM
C=CCCn1cc(C(=O)Nc2ccc(C(=O)[O-])nn2)nn1	ZINC001588817226	984275571	/nfs/dbraw/zinc/27/55/71/984275571.db2.gz	FWMDJEYKAOYUJI-UHFFFAOYSA-N	-1	0	288.267	0.595	20	30		CCEDRM
C=CCN(C(=O)C(=O)N[C@H]1CC=C(C(=O)[O-])C1)C(C)C	ZINC001588819873	984279408	/nfs/dbraw/zinc/27/94/08/984279408.db2.gz	FQMGUPUZLXGNDC-NSHDSACASA-N	-1	0	280.324	0.699	20	30		CCEDRM
C=CCN(C(=O)CN1CCC[C@H](C(=O)[O-])C1=O)C(C)C	ZINC001588820794	984286194	/nfs/dbraw/zinc/28/61/94/984286194.db2.gz	SDMNMXRYESBXJN-NSHDSACASA-N	-1	0	282.340	0.733	20	30		CCEDRM
C=CCN(CC(=O)N[C@H](C(=O)[O-])C(C)C)[C@H](C)COC	ZINC001588823946	984294549	/nfs/dbraw/zinc/29/45/49/984294549.db2.gz	GDCRSBHSEHQZRG-YPMHNXCESA-N	-1	0	286.372	0.735	20	30		CCEDRM
C=CCN1CC[C@@H](OC(=O)C23CC(C(=O)[O-])(C2)C3)C1=O	ZINC001588839770	984349664	/nfs/dbraw/zinc/34/96/64/984349664.db2.gz	VDMJDLGXWXVTRW-BZFQTPOWSA-N	-1	0	279.292	0.571	20	30		CCEDRM
C=CCOC[C@@H](NC(=O)CCn1ccccc1=O)C(=O)[O-]	ZINC001588853612	984384521	/nfs/dbraw/zinc/38/45/21/984384521.db2.gz	CCEHRMALWDPCLG-LLVKDONJSA-N	-1	0	294.307	0.010	20	30		CCEDRM
C=CCOC[C@H](NC(=O)Cc1ccc(C#N)nc1)C(=O)[O-]	ZINC001588856809	984401827	/nfs/dbraw/zinc/40/18/27/984401827.db2.gz	QGNNBTVABJVSQZ-LBPRGKRZSA-N	-1	0	289.291	0.268	20	30		CCEDRM
C=CCOC[C@@H](NC(=O)c1cc(C)on1)C(=O)[O-]	ZINC001588859153	984403593	/nfs/dbraw/zinc/40/35/93/984403593.db2.gz	BFBRJCUGBNSPTB-SECBINFHSA-N	-1	0	254.242	0.369	20	30		CCEDRM
C=CCOC[C@@H](NC(=O)c1cc(C#N)ccn1)C(=O)[O-]	ZINC001588859359	984404862	/nfs/dbraw/zinc/40/48/62/984404862.db2.gz	JGNCISBLIFIKRV-LLVKDONJSA-N	-1	0	275.264	0.339	20	30		CCEDRM
C=CCOCCN1C(=O)[C@@H]2C[C@@H](C(=O)[O-])CCN2C1=O	ZINC001588868815	984435257	/nfs/dbraw/zinc/43/52/57/984435257.db2.gz	BQVHIQBXGPGVDV-UWVGGRQHSA-N	-1	0	282.296	0.316	20	30		CCEDRM
C=CCn1c(CCOC)nnc1N1C[C@@H](C)[C@H](C(=O)[O-])C1	ZINC001588901306	984523420	/nfs/dbraw/zinc/52/34/20/984523420.db2.gz	SUQBVHLUNXIUQF-GHMZBOCLSA-N	-1	0	294.355	0.810	20	30		CCEDRM
C=CCn1cnn(CN2C[C@H](C)O[C@H](C(=O)[O-])C2)c1=S	ZINC001588909500	984544629	/nfs/dbraw/zinc/54/46/29/984544629.db2.gz	WTISBVRCXYDDAR-UWVGGRQHSA-N	-1	0	298.368	0.731	20	30		CCEDRM
C=C[C@@H]1OCC[C@H]1C(=O)N[C@H]1CC=C(C(=O)[O-])C1	ZINC001588916464	984561112	/nfs/dbraw/zinc/56/11/12/984561112.db2.gz	NNACSRSCNRGTMJ-AXFHLTTASA-N	-1	0	251.282	0.867	20	30		CCEDRM
C=C[C@@H]1OCC[C@H]1NC(=O)N1CCO[C@H](CC(=O)[O-])C1	ZINC001588919800	984573967	/nfs/dbraw/zinc/57/39/67/984573967.db2.gz	MLRVRMZLRULFAY-MXWKQRLJSA-N	-1	0	284.312	0.215	20	30		CCEDRM
CC#CCCCC(=O)N1C[C@H](C(=O)[O-])C[C@H](O)C1	ZINC001588925323	984586337	/nfs/dbraw/zinc/58/63/37/984586337.db2.gz	OYYMTHWKSSANGR-MNOVXSKESA-N	-1	0	253.298	0.474	20	30		CCEDRM
CC#CCCNC(=O)C(=O)Nc1cccc(C(=O)[O-])n1	ZINC001588927455	984599378	/nfs/dbraw/zinc/59/93/78/984599378.db2.gz	ZEVUWBZCEXCRLW-UHFFFAOYSA-N	-1	0	275.264	0.248	20	30		CCEDRM
CCOC(=O)c1ccc(CN(CC#N)CCC(=O)[O-])[nH]1	ZINC001596720179	984961982	/nfs/dbraw/zinc/96/19/82/984961982.db2.gz	DYFSUMQIVYCWPV-UHFFFAOYSA-N	-1	0	279.296	0.992	20	30		CCEDRM
CC(=NN[C@H]1CCOC1)c1ncc(C(=O)[O-])s1	ZINC001589016605	984996529	/nfs/dbraw/zinc/99/65/29/984996529.db2.gz	CIQPZZRPRYIRGJ-ZETCQYMHSA-N	-1	0	255.299	0.944	20	30		CCEDRM
C[C@H]1CN(C(=O)C2(C#N)CCOCC2)C[C@@H](C(=O)[O-])O1	ZINC001599913391	985018470	/nfs/dbraw/zinc/01/84/70/985018470.db2.gz	ROCXBAQJGODQQS-UWVGGRQHSA-N	-1	0	282.296	0.007	20	30		CCEDRM
CCOC(=O)c1cnn(C[C@@H]2CC(C(=O)[O-])=NO2)c1C#N	ZINC001596742932	985055745	/nfs/dbraw/zinc/05/57/45/985055745.db2.gz	FHIBTZYZOVOOKS-ZETCQYMHSA-N	-1	0	292.251	0.161	20	30		CCEDRM
C[C@H]1CN(S(=O)(=O)CCCC#N)C[C@]1(C)C(=O)[O-]	ZINC001599930693	985309447	/nfs/dbraw/zinc/30/94/47/985309447.db2.gz	SVAHPCNDGXFENR-ONGXEEELSA-N	-1	0	274.342	0.663	20	30		CCEDRM
Cc1c(C#N)cccc1C(=O)NC[C@H](O)CC(=O)[O-]	ZINC001599973056	986041426	/nfs/dbraw/zinc/04/14/26/986041426.db2.gz	GDMXSEJWMBEGHY-SNVBAGLBSA-N	-1	0	262.265	0.432	20	30		CCEDRM
C[C@@H]1CN(c2ccnc(C(=O)[O-])n2)C[C@H](C)N1CC#N	ZINC001594579826	986443473	/nfs/dbraw/zinc/44/34/73/986443473.db2.gz	WXOKUXCWYSNCKE-AOOOYVTPSA-N	-1	0	275.312	0.597	20	30		CCEDRM
CC[C@H](C#N)C(=O)N[C@]1(CC(=O)[O-])CCCOC1	ZINC001594722037	987208090	/nfs/dbraw/zinc/20/80/90/987208090.db2.gz	HPQZIHCYNZBWRR-SKDRFNHKSA-N	-1	0	254.286	0.676	20	30		CCEDRM
CC[C@@H](C#N)N(CC)C(=O)[C@@H]1CC[C@H](C(=O)[O-])O1	ZINC001594725000	987225295	/nfs/dbraw/zinc/22/52/95/987225295.db2.gz	HVRPSKQQZUSMLI-LPEHRKFASA-N	-1	0	254.286	0.769	20	30		CCEDRM
CCc1ccc(C#CC(=O)N2CCO[C@H](C(=O)[O-])C2)cc1	ZINC001597494994	988040349	/nfs/dbraw/zinc/04/03/49/988040349.db2.gz	NUYXJPVKBXPGDW-AWEZNQCLSA-N	-1	0	287.315	0.913	20	30		CCEDRM
CCc1ccc(NCC(=O)NCC#N)c(C(=O)[O-])c1	ZINC001597551501	988276168	/nfs/dbraw/zinc/27/61/68/988276168.db2.gz	IYHXFSVQWMYYRM-UHFFFAOYSA-N	-1	0	261.281	0.999	20	30		CCEDRM
C[C@@H](O)[C@H](NC(=O)C(=O)/C=C/c1ccc(F)cc1)C(=O)[O-]	ZINC001599843477	988891860	/nfs/dbraw/zinc/89/18/60/988891860.db2.gz	HLOZDVVQGRISPY-VYPOBNEISA-N	-1	0	295.266	0.358	20	30		CCEDRM
C[C@@H]1CN(C(=O)NCCCCC#N)C[C@@H](C(=O)[O-])O1	ZINC001599861246	989170597	/nfs/dbraw/zinc/17/05/97/989170597.db2.gz	VMRSTWMDELLRLU-ZJUUUORDSA-N	-1	0	269.301	0.564	20	30		CCEDRM
C[C@@H]1C[C@H](C(=O)NCC#C[C@@H]2CCCCO2)O[C@H]1C(=O)[O-]	ZINC001599874570	989401916	/nfs/dbraw/zinc/40/19/16/989401916.db2.gz	GMDVFLGZKRILSP-YVECIDJPSA-N	-1	0	295.335	0.553	20	30		CCEDRM
CCn1ccc(CC(=O)N(CC#N)CCC(=O)[O-])n1	ZINC001597905221	989794630	/nfs/dbraw/zinc/79/46/30/989794630.db2.gz	WQHGGGKAMDYQMO-UHFFFAOYSA-N	-1	0	264.285	0.272	20	30		CCEDRM
CCn1ncc(/C=C2/CCn3nc(C(=O)[O-])cc3C2=O)n1	ZINC001597956773	989964415	/nfs/dbraw/zinc/96/44/15/989964415.db2.gz	AJZUJRZMFVTAOA-YVMONPNESA-N	-1	0	287.279	0.863	20	30		CCEDRM
CC(C)(CS(=O)(=O)NCc1ccnc(C#N)c1)C(=O)[O-]	ZINC001590820862	990658706	/nfs/dbraw/zinc/65/87/06/990658706.db2.gz	ZVAKZBZXAJDFJN-UHFFFAOYSA-N	-1	0	297.336	0.483	20	30		CCEDRM
CC(C)(NC(=O)C1CC2(C1)C[NH2+]C[C@H]2C#N)C(=O)[O-]	ZINC001590840960	990711044	/nfs/dbraw/zinc/71/10/44/990711044.db2.gz	WFVSRTUOEHGJTR-XQVHRTOBSA-N	-1	0	265.313	0.105	20	30		CCEDRM
CN(C)C[C@](C)(C#N)NC(=O)[C@H]1C[C@@H](C(=O)[O-])C1	ZINC001598199731	990809979	/nfs/dbraw/zinc/80/99/79/990809979.db2.gz	QICPPMMTJWURKE-SBMIAAHKSA-N	-1	0	253.302	0.057	20	30		CCEDRM
COc1ccccc1C[C@H](CNC(=O)CC#N)C(=O)[O-]	ZINC001599706448	991299237	/nfs/dbraw/zinc/29/92/37/991299237.db2.gz	MWCLXUPHHAUUIY-LLVKDONJSA-N	-1	0	276.292	0.968	20	30		CCEDRM
CS(C)(=O)=NCCNc1ccc(C(=O)[O-])nc1C#N	ZINC001599781753	992373690	/nfs/dbraw/zinc/37/36/90/992373690.db2.gz	UTVJFMXEJCEDHW-UHFFFAOYSA-N	-1	0	282.325	0.791	20	30		CCEDRM
CNC(=O)CSc1ccc(C(=O)[O-])nc1C#N	ZINC001598647512	994394167	/nfs/dbraw/zinc/39/41/67/994394167.db2.gz	MBHJCTJTKNDFPA-UHFFFAOYSA-N	-1	0	251.267	0.490	20	30		CCEDRM
C[C@@H](Nc1ccc(C(=O)[O-])nc1C#N)c1ncn(C)n1	ZINC001593363442	995035796	/nfs/dbraw/zinc/03/57/96/995035796.db2.gz	QQNMXZQULFECKG-SSDOTTSWSA-N	-1	0	272.268	0.953	20	30		CCEDRM
C[C@H](OC(=O)C1(C#N)CCOCC1)C(=O)C(C)(C)C(=O)[O-]	ZINC001593490991	995459313	/nfs/dbraw/zinc/45/93/13/995459313.db2.gz	JAMUGYOBNCIYTC-VIFPVBQESA-N	-1	0	297.307	0.918	20	30		CCEDRM
COC(=O)[C@@H]1C[C@H](C(=O)[O-])CCN1CC1(C#N)CC1	ZINC001598749976	995640461	/nfs/dbraw/zinc/64/04/61/995640461.db2.gz	JHQRLSRYOFKPGW-ZJUUUORDSA-N	-1	0	266.297	0.628	20	30		CCEDRM
COC(=O)[C@H]1CC[C@@H](C(=O)[O-])CN1C(=O)CCCC#N	ZINC001598763922	995807870	/nfs/dbraw/zinc/80/78/70/995807870.db2.gz	WTXGQHNRZSRANC-NXEZZACHSA-N	-1	0	282.296	0.545	20	30		CCEDRM
COC(=O)[C@@H]1CC[C@@H](C(=O)[O-])CN1CCO[C@@H](C)C#N	ZINC001598779007	995962255	/nfs/dbraw/zinc/96/22/55/995962255.db2.gz	PULQNBLEIJNKNU-AXFHLTTASA-N	-1	0	284.312	0.253	20	30		CCEDRM
C[C@@]1(C#N)CN(C(=O)NCCSCC(=O)[O-])CCO1	ZINC001593743316	996367222	/nfs/dbraw/zinc/36/72/22/996367222.db2.gz	MXYOFEHWHHIVTE-LLVKDONJSA-N	-1	0	287.341	0.128	20	30		CCEDRM
C[C@@]1(C#N)CN(C(=O)N[C@H]2C[C@H](C(=O)[O-])C2)CCO1	ZINC001593743606	996369506	/nfs/dbraw/zinc/36/95/06/996369506.db2.gz	WITWTILHWLGVCT-KBVBSXBZSA-N	-1	0	267.285	0.174	20	30		CCEDRM
COC(=O)[C@@H]1CN(c2ccc(C)nc2C#N)C[C@H]1C(=O)[O-]	ZINC001598830028	996426312	/nfs/dbraw/zinc/42/63/12/996426312.db2.gz	WUQBRIDKBHFLPF-NXEZZACHSA-N	-1	0	289.291	0.572	20	30		CCEDRM
COC(=O)CCN(CC#N)C(=O)[C@H]1C[C@@H](C(=O)[O-])C1	ZINC001598854604	996627277	/nfs/dbraw/zinc/62/72/77/996627277.db2.gz	FPAYORZGIKKELE-DTORHVGOSA-N	-1	0	268.269	0.012	20	30		CCEDRM
COC(=O)CN(C)[C@@H](C(=O)[O-])c1ccc(C#N)cc1	ZINC001598859488	996662828	/nfs/dbraw/zinc/66/28/28/996662828.db2.gz	BKPXJEZGROBFJB-GFCCVEGCSA-N	-1	0	262.265	0.789	20	30		CCEDRM
COC(=O)CN(CC#N)C(=O)c1ccc(/C=C/C(=O)[O-])o1	ZINC001598860703	996672580	/nfs/dbraw/zinc/67/25/80/996672580.db2.gz	FHOJTZKCDNNCMX-HWKANZROSA-N	-1	0	292.247	0.516	20	30		CCEDRM
COC(=O)CN(CC#N)Cc1cc(C(=O)[O-])ccc1OC	ZINC001598860709	996672681	/nfs/dbraw/zinc/67/26/81/996672681.db2.gz	FLKYVKKJZQGSNS-UHFFFAOYSA-N	-1	0	292.291	0.892	20	30		CCEDRM
COC[C@]1(C(=O)[O-])CCCN1C(=O)c1ccc(C#N)cn1	ZINC001599192155	997140931	/nfs/dbraw/zinc/14/09/31/997140931.db2.gz	HYOUURQJZLIAEW-AWEZNQCLSA-N	-1	0	289.291	0.659	20	30		CCEDRM
C[C@@]1(CO)C[C@@H](O)CN1Cc1cccc(C(=O)[O-])c1C#N	ZINC001594031772	997610004	/nfs/dbraw/zinc/61/00/04/997610004.db2.gz	GXFFONHUOFWWTE-ABAIWWIYSA-N	-1	0	290.319	0.574	20	30		CCEDRM
COC(=O)c1cc(C(=O)[O-])nn1CN(C)C[C@H](C)C#N	ZINC001598925426	997639935	/nfs/dbraw/zinc/63/99/35/997639935.db2.gz	SJEMCZUWRQQCQV-MRVPVSSYSA-N	-1	0	280.284	0.417	20	30		CCEDRM
CO[C@H]1CCN(C(=O)CC2(C#N)CC2)[C@H](C(=O)[O-])C1	ZINC001599121635	997749934	/nfs/dbraw/zinc/74/99/34/997749934.db2.gz	YZSQWIKTJQGWCL-UWVGGRQHSA-N	-1	0	266.297	0.771	20	30		CCEDRM
CC1=C(C(=O)N(CC#N)CCC(=O)[O-])SCCO1	ZINC001594091031	998040917	/nfs/dbraw/zinc/04/09/17/998040917.db2.gz	XPRXHIDNZMJGKU-UHFFFAOYSA-N	-1	0	270.310	0.808	20	30		CCEDRM
CC1CC(C#N)(C(=O)NC[C@H]2CCO[C@H]2C(=O)[O-])C1	ZINC001594200996	998775955	/nfs/dbraw/zinc/77/59/55/998775955.db2.gz	UAOVMNHHVGFYKJ-LIVJGEBJSA-N	-1	0	266.297	0.532	20	30		CCEDRM
Cc1nn(C)c(C)c1S(=O)(=O)[N-]c1n[nH]cc1C#N	ZINC000093338529	349539641	/nfs/dbraw/zinc/53/96/41/349539641.db2.gz	SJXFIQWMPFADLS-UHFFFAOYSA-N	-1	0	280.313	0.433	20	30		CCEDRM
C[C@@H](C#N)C([O-])=Nc1nc(C2CCOCC2)ns1	ZINC000600515121	362001078	/nfs/dbraw/zinc/00/10/78/362001078.db2.gz	SKYSLFVMSBOISG-ZETCQYMHSA-N	-1	0	266.326	0.952	20	30		CCEDRM
C[C@@H](NS(=O)(=O)CC1(C#N)CC1)[C@@H](O)C(F)(F)F	ZINC000601524647	362300003	/nfs/dbraw/zinc/30/00/03/362300003.db2.gz	UXJYSYPHTMWOCN-RNFRBKRXSA-N	-1	0	286.275	0.521	20	30		CCEDRM
CCCN1CCC[C@H]1C(=O)N=c1[nH][n-]c(C)c1C#N	ZINC000601678931	362353098	/nfs/dbraw/zinc/35/30/98/362353098.db2.gz	HYSVVUXQGKEYQD-NSHDSACASA-N	-1	0	261.329	0.825	20	30		CCEDRM
C[C@@H]1CCCN(C(=O)Cn2cc(C#N)c(=O)[n-]c2=O)[C@H]1C	ZINC000602107425	362492514	/nfs/dbraw/zinc/49/25/14/362492514.db2.gz	DHNXGAMVMVZCBB-ZJUUUORDSA-N	-1	0	290.323	0.468	20	30		CCEDRM
CCN(CC1CC1)C(=O)Cn1cc(C#N)c(=O)[n-]c1=O	ZINC000602100399	362488559	/nfs/dbraw/zinc/48/85/59/362488559.db2.gz	QALTYNQDEILLLQ-UHFFFAOYSA-N	-1	0	276.296	0.079	20	30		CCEDRM
CC(C)[C@H]1CCN(C(=O)Cn2cc(C#N)c(=O)[n-]c2=O)C1	ZINC000602114695	362497483	/nfs/dbraw/zinc/49/74/83/362497483.db2.gz	XLCDWGGWRQXDQT-JTQLQIEISA-N	-1	0	290.323	0.325	20	30		CCEDRM
C[C@]1(C#N)CCCN(C(=O)CCCc2nnn[n-]2)C1	ZINC000602134875	362513979	/nfs/dbraw/zinc/51/39/79/362513979.db2.gz	GXDNXNVUQJOIAK-GFCCVEGCSA-N	-1	0	262.317	0.675	20	30		CCEDRM
N#Cc1cn(CC(=O)N2CCC3(CCC3)C2)c(=O)[n-]c1=O	ZINC000602122463	362504844	/nfs/dbraw/zinc/50/48/44/362504844.db2.gz	ZEIVFHBKRLQLND-UHFFFAOYSA-N	-1	0	288.307	0.223	20	30		CCEDRM
CC1=C(C)CN(C(=O)Cn2cc(C#N)c(=O)[n-]c2=O)CC1	ZINC000602144571	362522025	/nfs/dbraw/zinc/52/20/25/362522025.db2.gz	XJAPJJKNZMIUBU-UHFFFAOYSA-N	-1	0	288.307	0.389	20	30		CCEDRM
C[C@@H]1CCC(C)(C)N1C(=O)Cn1cc(C#N)c(=O)[n-]c1=O	ZINC000602156849	362532110	/nfs/dbraw/zinc/53/21/10/362532110.db2.gz	DERHCWHHRMCBRI-SECBINFHSA-N	-1	0	290.323	0.610	20	30		CCEDRM
CCc1nocc1C(=O)N=c1[n-]n(C)c(C)c1C#N	ZINC000602349053	362594104	/nfs/dbraw/zinc/59/41/04/362594104.db2.gz	QELULFIAMMCGRP-UHFFFAOYSA-N	-1	0	259.269	0.825	20	30		CCEDRM
Cc1cc([N-]S(=O)(=O)c2ccc(C#N)o2)n(C)n1	ZINC000342491024	137097203	/nfs/dbraw/zinc/09/72/03/137097203.db2.gz	NAKCINXVPSOYOH-UHFFFAOYSA-N	-1	0	266.282	0.994	20	30		CCEDRM
CSc1[n-]c(=O)c(C(=O)NC[C@@H](C)CO)cc1C#N	ZINC000344145821	137179914	/nfs/dbraw/zinc/17/99/14/137179914.db2.gz	WUVXWYXTOQZTAE-SSDOTTSWSA-N	-1	0	281.337	0.739	20	30		CCEDRM
C[C@H]1CN(C(=O)N=c2[n-]n(C)cc2C#N)C[C@H](C)C1O	ZINC000602884517	362863559	/nfs/dbraw/zinc/86/35/59/362863559.db2.gz	BWOFLECMCLMBKD-IUCAKERBSA-N	-1	0	277.328	0.194	20	30		CCEDRM
Cn1cc(C#N)c(=NC(=O)N[C@@]23C[C@@H]2COC3(C)C)[n-]1	ZINC000602885709	362864217	/nfs/dbraw/zinc/86/42/17/362864217.db2.gz	ZDSVISRCKAJMKP-RNCFNFMXSA-N	-1	0	275.312	0.403	20	30		CCEDRM
C[C@@H]1C[C@@H](CNC(=O)N=c2[n-]n(C)cc2C#N)[C@@H](C)O1	ZINC000602888404	362867222	/nfs/dbraw/zinc/86/72/22/362867222.db2.gz	URIRSWDCILMEKK-BBBLOLIVSA-N	-1	0	277.328	0.649	20	30		CCEDRM
N#Cc1cccc(C(=O)N[C@]2(C(=O)[O-])CCOC2)c1	ZINC000085848818	349335860	/nfs/dbraw/zinc/33/58/60/349335860.db2.gz	ZTKQHHIVIRPCGJ-CYBMUJFWSA-N	-1	0	260.249	0.532	20	30		CCEDRM
N#Cc1cnc(NCC2(C(=O)[O-])CCOCC2)cn1	ZINC000138148627	350440659	/nfs/dbraw/zinc/44/06/59/350440659.db2.gz	SWRMRVWPFMXGFW-UHFFFAOYSA-N	-1	0	262.269	0.642	20	30		CCEDRM
CC[C@@H](C(=O)[O-])N(C)S(=O)(=O)c1ccc(C#N)nc1	ZINC000159688521	350685161	/nfs/dbraw/zinc/68/51/61/350685161.db2.gz	GXEGWJZRHIJYEP-JTQLQIEISA-N	-1	0	283.309	0.437	20	30		CCEDRM
N#Cc1ccc2c(c1)CC[C@@H]2N=c1ccc(C(N)=O)n[n-]1	ZINC000618693902	366076704	/nfs/dbraw/zinc/07/67/04/366076704.db2.gz	TVMWVPREUDKUKS-LBPRGKRZSA-N	-1	0	279.303	0.968	20	30		CCEDRM
Cn1ccc(CCNS(=O)(=O)c2cccnc2C#N)n1	ZINC000236091801	352190950	/nfs/dbraw/zinc/19/09/50/352190950.db2.gz	GMVFPHLFEVFGGB-UHFFFAOYSA-N	-1	0	291.336	0.208	20	30		CCEDRM
C=CCSCCNC(=O)NC1(C(=O)[O-])CCOCC1	ZINC000231958272	352139065	/nfs/dbraw/zinc/13/90/65/352139065.db2.gz	SHKVIRGNAHKWKE-UHFFFAOYSA-N	-1	0	288.369	0.839	20	30		CCEDRM
CCCN(CC(=O)[O-])S(=O)(=O)c1cccnc1C#N	ZINC000233008233	352149389	/nfs/dbraw/zinc/14/93/89/352149389.db2.gz	IZHFTVVTSKXUQL-UHFFFAOYSA-N	-1	0	283.309	0.439	20	30		CCEDRM
C[C@@H](CC(=O)[O-])NS(=O)(=O)c1ccc(F)cc1C#N	ZINC000270545768	352945996	/nfs/dbraw/zinc/94/59/96/352945996.db2.gz	YXVCZPDTXMHSJK-ZETCQYMHSA-N	-1	0	286.284	0.839	20	30		CCEDRM
C=CC[C@H](NS(=O)(=O)c1cnn(CC)c1)C(=O)[O-]	ZINC000274877345	353169510	/nfs/dbraw/zinc/16/95/10/353169510.db2.gz	BXRLVDHMJLZBTK-VIFPVBQESA-N	-1	0	273.314	0.211	20	30		CCEDRM
CC#CC[C@@H](NS(=O)(=O)c1cccc(N)c1)C(=O)[O-]	ZINC000274945448	353174694	/nfs/dbraw/zinc/17/46/94/353174694.db2.gz	FRLISINXKRJHGF-LLVKDONJSA-N	-1	0	282.321	0.414	20	30		CCEDRM
CC#CC[C@@H](NS(=O)(=O)c1ccc(F)cc1)C(=O)[O-]	ZINC000275054332	353182557	/nfs/dbraw/zinc/18/25/57/353182557.db2.gz	SXWQLLQVKMYOJB-LLVKDONJSA-N	-1	0	285.296	0.971	20	30		CCEDRM
N#Cc1ccc(S(=O)(=O)[N-]N2CCCNC2=O)cc1F	ZINC000292509062	198314010	/nfs/dbraw/zinc/31/40/10/198314010.db2.gz	HMVKHPFNTLUZPA-UHFFFAOYSA-N	-1	0	298.299	0.306	20	30		CCEDRM
CC(C)[C@H](CNS(=O)(=O)c1ccc(C#N)o1)C(=O)[O-]	ZINC000287199400	353631602	/nfs/dbraw/zinc/63/16/02/353631602.db2.gz	LQEGOCRSAKMZES-VIFPVBQESA-N	-1	0	286.309	0.786	20	30		CCEDRM
C[C@@H]1CN(S(=O)(=O)c2ccc(C#N)o2)CC[C@H]1C(=O)[O-]	ZINC000287426216	353646542	/nfs/dbraw/zinc/64/65/42/353646542.db2.gz	GLFGCDFCKQUPEW-PSASIEDQSA-N	-1	0	298.320	0.883	20	30		CCEDRM
C[C@@H](CCCNS(=O)(=O)c1ccc(C#N)o1)C(=O)[O-]	ZINC000287475947	353648877	/nfs/dbraw/zinc/64/88/77/353648877.db2.gz	JRUPKSHRROSEBJ-QMMMGPOBSA-N	-1	0	286.309	0.930	20	30		CCEDRM
Cc1cc(C#N)nc(N2CCC(c3nc(=O)[n-][nH]3)CC2)n1	ZINC000287891913	353674155	/nfs/dbraw/zinc/67/41/55/353674155.db2.gz	UXXMRJBDWJHMGI-UHFFFAOYSA-N	-1	0	285.311	0.452	20	30		CCEDRM
N#Cc1cncc(S(=O)(=O)N[C@H](CC2CC2)C(=O)[O-])c1	ZINC000290651856	353739851	/nfs/dbraw/zinc/73/98/51/353739851.db2.gz	NADBKJSZJXHSKK-LLVKDONJSA-N	-1	0	295.320	0.485	20	30		CCEDRM
N#Cc1ccc(S(=O)(=O)NCC(=O)[O-])cc1F	ZINC000427667713	235375072	/nfs/dbraw/zinc/37/50/72/235375072.db2.gz	FKKVGLLVWXORQU-UHFFFAOYSA-N	-1	0	258.230	0.060	20	30		CCEDRM
N#Cc1ccc(C2(C(=O)NCc3n[n-]c(=N)o3)CC2)cc1	ZINC000354840878	356511193	/nfs/dbraw/zinc/51/11/93/356511193.db2.gz	SWIXUFCJLQSAAW-UHFFFAOYSA-N	-1	0	283.291	0.702	20	30		CCEDRM
N#CCc1cccc(S(=O)(=O)[N-]c2nnc[nH]2)c1	ZINC000619569716	366284808	/nfs/dbraw/zinc/28/48/08/366284808.db2.gz	ZOPDNJRDAMZQFQ-UHFFFAOYSA-N	-1	0	263.282	0.672	20	30		CCEDRM
COC(=O)c1ccc(=NC2CCN(CC#N)CC2)[n-]n1	ZINC000609333769	363490023	/nfs/dbraw/zinc/49/00/23/363490023.db2.gz	MGTCIXCCPDFCNT-UHFFFAOYSA-N	-1	0	275.312	0.085	20	30		CCEDRM
N#Cc1c[nH]c(C(=O)N[C@H](c2nnn[n-]2)c2ccccc2)c1	ZINC000610489949	363566529	/nfs/dbraw/zinc/56/65/29/363566529.db2.gz	WLZYVYAKLIRZPU-LBPRGKRZSA-N	-1	0	293.290	0.919	20	30		CCEDRM
COC1(C(=O)N=c2[nH][n-]c(C3CC3)c2C#N)CCOCC1	ZINC000359718741	356878466	/nfs/dbraw/zinc/87/84/66/356878466.db2.gz	QSJDUFKJEFQGIK-UHFFFAOYSA-N	-1	0	290.323	0.715	20	30		CCEDRM
CN(Cc1ccoc1)C(=O)N=c1[n-]n(C)cc1C#N	ZINC000610560921	363576474	/nfs/dbraw/zinc/57/64/74/363576474.db2.gz	LYTDSTZGRZMQQS-UHFFFAOYSA-N	-1	0	259.269	0.971	20	30		CCEDRM
C[C@@H](CO[C@@H]1CCOC1)NC(=O)N=c1[n-]n(C)cc1C#N	ZINC000610655673	363591828	/nfs/dbraw/zinc/59/18/28/363591828.db2.gz	GSDFSGOPRIGHMP-GXSJLCMTSA-N	-1	0	293.327	0.029	20	30		CCEDRM
C[C@@H]1OCC[C@@H]1C(=O)N=c1[nH][n-]c(C2CC2)c1C#N	ZINC000408173211	357952770	/nfs/dbraw/zinc/95/27/70/357952770.db2.gz	HJZCKQXKEJPHMR-CBAPKCEASA-N	-1	0	260.297	0.944	20	30		CCEDRM
C[C@H](C#N)CN(C)S(=O)(=O)N[C@H](CC(F)F)C(=O)[O-]	ZINC000563227535	358557169	/nfs/dbraw/zinc/55/71/69/358557169.db2.gz	YAROSJWWKBFCCI-RNFRBKRXSA-N	-1	0	299.299	0.021	20	30		CCEDRM
C=C(C)[C@H]1OCC[C@H]1CNc1ncncc1C(=O)[O-]	ZINC000565661875	358565412	/nfs/dbraw/zinc/56/54/12/358565412.db2.gz	WWGCVHJRGFIXJZ-GXSJLCMTSA-N	-1	0	263.297	0.990	20	30		CCEDRM
C=C(C)[C@H]1OCC[C@@H]1CNc1ncncc1C(=O)[O-]	ZINC000565661883	358565718	/nfs/dbraw/zinc/56/57/18/358565718.db2.gz	WWGCVHJRGFIXJZ-MWLCHTKSSA-N	-1	0	263.297	0.990	20	30		CCEDRM
C=CCCCNC(=O)C(=O)N1CCC[C@@H](CC(=O)[O-])C1	ZINC000573909355	359010375	/nfs/dbraw/zinc/01/03/75/359010375.db2.gz	NEIHRCCQKFPSEQ-NSHDSACASA-N	-1	0	282.340	0.782	20	30		CCEDRM
CCN(C[C@@H](C)C#N)S(=O)(=O)N[C@@H](C)CCC(=O)[O-]	ZINC000573971622	359016933	/nfs/dbraw/zinc/01/69/33/359016933.db2.gz	AAVFJWLYRIUHDU-UWVGGRQHSA-N	-1	0	291.373	0.556	20	30		CCEDRM
Cn1cc(C#N)c(=NC(=O)N[C@@H](CO)C(C)(C)C)[n-]1	ZINC000610923070	363631458	/nfs/dbraw/zinc/63/14/58/363631458.db2.gz	USYSIZYNIQAZKU-VIFPVBQESA-N	-1	0	265.317	0.242	20	30		CCEDRM
C=CCCCS(=O)(=O)[N-]c1ccc(C(=O)OC)nn1	ZINC000589976901	359413336	/nfs/dbraw/zinc/41/33/36/359413336.db2.gz	QAGCQIDBFVQNLP-UHFFFAOYSA-N	-1	0	285.325	0.971	20	30		CCEDRM
CCOC(=O)Cc1n[n-]c(=NC(=O)N2CC(C#N)C2)s1	ZINC000590124376	359425476	/nfs/dbraw/zinc/42/54/76/359425476.db2.gz	YYXAJNQATUYXOI-UHFFFAOYSA-N	-1	0	295.324	0.053	20	30		CCEDRM
Cc1cccnc1CCNC(=O)N=c1[n-]n(C)cc1C#N	ZINC000590819353	359526766	/nfs/dbraw/zinc/52/67/66/359526766.db2.gz	HGUHVYRVPREUAC-UHFFFAOYSA-N	-1	0	284.323	0.781	20	30		CCEDRM
CC[C@H](CCC(=O)[O-])NS(=O)(=O)c1cncc(C#N)c1	ZINC000296845191	200013846	/nfs/dbraw/zinc/01/38/46/200013846.db2.gz	CCMUTHCMOCVLCF-SNVBAGLBSA-N	-1	0	297.336	0.875	20	30		CCEDRM
N#Cc1ccc(C(=O)N2CCC[C@H](c3nnn[n-]3)C2)cn1	ZINC000611215210	363685052	/nfs/dbraw/zinc/68/50/52/363685052.db2.gz	YJQIJBPVMOLZJB-JTQLQIEISA-N	-1	0	283.295	0.486	20	30		CCEDRM
N#Cc1nc(NC(=O)[C@H]2CCc3cncn3C2)[n-]c1C#N	ZINC000563203271	291205286	/nfs/dbraw/zinc/20/52/86/291205286.db2.gz	RUGVAFFKMDTUIR-QMMMGPOBSA-N	-1	0	281.279	0.551	20	30		CCEDRM
N#CCC1(CS(=O)(=O)N(CC(=O)[O-])CC2CC2)CC1	ZINC000593221644	360052859	/nfs/dbraw/zinc/05/28/59/360052859.db2.gz	AZLWHGWQFLGDAI-UHFFFAOYSA-N	-1	0	286.353	0.807	20	30		CCEDRM
C[C@@H]1CC[C@H](C(=O)[O-])N1S(=O)(=O)c1cncc(C#N)c1	ZINC000593222710	360052908	/nfs/dbraw/zinc/05/29/08/360052908.db2.gz	RWHQARMHJMOMPO-LDYMZIIASA-N	-1	0	295.320	0.579	20	30		CCEDRM
CC[C@H](NS(=O)(=O)c1ccsc1C#N)C(=O)[O-]	ZINC000593252068	360055902	/nfs/dbraw/zinc/05/59/02/360055902.db2.gz	WCDJWUHWSAGLHO-LURJTMIESA-N	-1	0	274.323	0.761	20	30		CCEDRM
N#Cc1sccc1S(=O)(=O)N[C@H]1C[C@H](C(=O)[O-])C1	ZINC000593271917	360058803	/nfs/dbraw/zinc/05/88/03/360058803.db2.gz	XACAILOUYZVBBX-LJGSYFOKSA-N	-1	0	286.334	0.761	20	30		CCEDRM
C[NH+]1CCC(NS(=O)(=O)c2ccsc2C#N)CC1	ZINC000593525841	360107202	/nfs/dbraw/zinc/10/72/02/360107202.db2.gz	LRUQNNDUXLQMRF-UHFFFAOYSA-N	-1	0	285.394	0.992	20	30		CCEDRM
N#Cc1ccccc1S(=O)(=O)N[C@@H](CCF)C(=O)[O-]	ZINC000594573166	360332748	/nfs/dbraw/zinc/33/27/48/360332748.db2.gz	GVDIWQBTAMGDGO-VIFPVBQESA-N	-1	0	286.284	0.649	20	30		CCEDRM
N#Cc1cncc(S(=O)(=O)N[C@H](CCF)C(=O)[O-])c1	ZINC000594572825	360333199	/nfs/dbraw/zinc/33/31/99/360333199.db2.gz	DBSLPCSVFXJKEV-SECBINFHSA-N	-1	0	287.272	0.044	20	30		CCEDRM
CC12CC(C(=O)[O-])(C1)N(S(=O)(=O)CC1(C#N)CC1)C2	ZINC000594674102	360358305	/nfs/dbraw/zinc/35/83/05/360358305.db2.gz	VVVDMZHNVVAPMS-UHFFFAOYSA-N	-1	0	284.337	0.559	20	30		CCEDRM
COCCN(CC(=O)[O-])C(=O)CC1(C#N)CCOCC1	ZINC000595281536	360477035	/nfs/dbraw/zinc/47/70/35/360477035.db2.gz	MLWHPFPXEUNDMF-UHFFFAOYSA-N	-1	0	284.312	0.256	20	30		CCEDRM
C=CCN(C(=O)CSCC(=O)[O-])[C@H](C)COC	ZINC000595245851	360456449	/nfs/dbraw/zinc/45/64/49/360456449.db2.gz	RSKIDAMXJCHQJS-SECBINFHSA-N	-1	0	261.343	0.854	20	30		CCEDRM
N#Cc1c(N[C@@H]2C[C@@H](C(=O)[O-])C[C@@H]2O)nc2ccccn21	ZINC000595978833	360754932	/nfs/dbraw/zinc/75/49/32/360754932.db2.gz	PKAKWFPELHUBDC-KKZNHRDASA-N	-1	0	286.291	0.842	20	30		CCEDRM
N#CCCCCNC(=O)C(=O)NC[C@H](C(=O)[O-])C1CCC1	ZINC000596132108	360807276	/nfs/dbraw/zinc/80/72/76/360807276.db2.gz	GQRCKYFOZNMXHP-NSHDSACASA-N	-1	0	295.339	0.414	20	30		CCEDRM
COC[C@](C)(C#N)NC(=O)c1ccc2oc(=O)nc-2[n-]1	ZINC000597383284	361079559	/nfs/dbraw/zinc/07/95/59/361079559.db2.gz	YBXKOMBPVVQWFV-LBPRGKRZSA-N	-1	0	276.252	0.587	20	30		CCEDRM
Cn1[n-]c(C(=O)N2CCSC[C@@H]2C#N)cc1=O	ZINC000597478474	361108603	/nfs/dbraw/zinc/10/86/03/361108603.db2.gz	RQTRGLBOSGQENW-ZETCQYMHSA-N	-1	0	252.299	0.207	20	30		CCEDRM
CCS(=O)(=O)[N-]c1ccccc1C(=O)N[C@@H](C#N)CO	ZINC000597743699	361226573	/nfs/dbraw/zinc/22/65/73/361226573.db2.gz	GESOKIVJTGMPHO-VIFPVBQESA-N	-1	0	297.336	0.062	20	30		CCEDRM
CN=c1[n-]nc(CC(=O)N([C@H](C)C#N)C2CC2)s1	ZINC000598134644	361340798	/nfs/dbraw/zinc/34/07/98/361340798.db2.gz	XVDJJQACRVTGJV-SSDOTTSWSA-N	-1	0	265.342	0.447	20	30		CCEDRM
C=CCOC[C@H](NC(=O)C1(CF)CCOCC1)C(=O)[O-]	ZINC000621538234	366790672	/nfs/dbraw/zinc/79/06/72/366790672.db2.gz	JSVRXWWRPQICAB-JTQLQIEISA-N	-1	0	289.303	0.525	20	30		CCEDRM
CO[C@@H]1CC[C@@H](C(=O)Nc2nc(C#N)c(C#N)[n-]2)C1	ZINC000598662129	361475263	/nfs/dbraw/zinc/47/52/63/361475263.db2.gz	PSZBSNPULDXKBY-HTQZYQBOSA-N	-1	0	259.269	0.907	20	30		CCEDRM
Cc1nccnc1C(=O)N=c1[nH][n-]c(C2CC2)c1C#N	ZINC000598735138	361500817	/nfs/dbraw/zinc/50/08/17/361500817.db2.gz	PKNXKMYIVGPGST-UHFFFAOYSA-N	-1	0	268.280	0.931	20	30		CCEDRM
N#CC1(CC(=O)N=c2ccc(O)n[n-]2)CCOCC1	ZINC000598832079	361522713	/nfs/dbraw/zinc/52/27/13/361522713.db2.gz	OBXXMYTWHZEJQK-UHFFFAOYSA-N	-1	0	262.269	0.253	20	30		CCEDRM
CCn1ncc(C#N)c1[N-]S(=O)(=O)c1cn(C)nc1C	ZINC000342578662	216411840	/nfs/dbraw/zinc/41/18/40/216411840.db2.gz	XSMBODUGKSFLFO-UHFFFAOYSA-N	-1	0	294.340	0.617	20	30		CCEDRM
Cn1cc(C#N)c(=NC(=O)N2CCC[C@@](C)(C#N)C2)[n-]1	ZINC000612313459	363883308	/nfs/dbraw/zinc/88/33/08/363883308.db2.gz	HGWCKWSNJPIYDR-ZDUSSCGKSA-N	-1	0	272.312	0.871	20	30		CCEDRM
Cc1nnc([C@@H](C)NC(=O)N=c2[n-]n(C)cc2C#N)s1	ZINC000612752048	364008134	/nfs/dbraw/zinc/00/81/34/364008134.db2.gz	OPHPLUAVDJCBOA-ZCFIWIBFSA-N	-1	0	291.340	0.756	20	30		CCEDRM
C=C[C@@H]1CCCCN1C(=O)C(=O)NC[C@@H](C)C(=O)[O-]	ZINC000656003853	412730501	/nfs/dbraw/zinc/73/05/01/412730501.db2.gz	KGGVHHNNLKLBLC-NXEZZACHSA-N	-1	0	268.313	0.390	20	30		CCEDRM
C/C=C\C[C@H](CO)NC(=O)N=c1[n-]n(C)cc1C#N	ZINC000613772727	364367213	/nfs/dbraw/zinc/36/72/13/364367213.db2.gz	HVESFCPDLHXPIO-UMBAGQNISA-N	-1	0	263.301	0.162	20	30		CCEDRM
C=CC1CCN(C(=O)C(=O)NC[C@H](C(=O)[O-])C(C)C)CC1	ZINC000656014387	412733874	/nfs/dbraw/zinc/73/38/74/412733874.db2.gz	SZJJCCOWDBSELQ-LBPRGKRZSA-N	-1	0	296.367	0.884	20	30		CCEDRM
C=C(C)[C@H]1OCC[C@H]1CNC(=O)c1cc(=O)n(C)[n-]1	ZINC000614373945	364587980	/nfs/dbraw/zinc/58/79/80/364587980.db2.gz	WIRCQTPKTBXUNK-JOYOIKCWSA-N	-1	0	265.313	0.837	20	30		CCEDRM
CCOC[C@@H](NC(=O)N=c1[n-]n(C)cc1C#N)C(C)C	ZINC000616096209	365176283	/nfs/dbraw/zinc/17/62/83/365176283.db2.gz	PQFORSCIRGIQOL-LLVKDONJSA-N	-1	0	279.344	0.896	20	30		CCEDRM
C=CCCCCCNC(=O)CC[C@H]1NC(=O)NC1=O	ZINC000616697639	365430584	/nfs/dbraw/zinc/43/05/84/365430584.db2.gz	BSNYWVNODFJJKX-SNVBAGLBSA-N	-1	0	267.329	0.837	20	30		CCEDRM
Cc1nc(C)c(Cn2c(=O)[n-]cc(C#N)c2=O)s1	ZINC000566220371	291378179	/nfs/dbraw/zinc/37/81/79/291378179.db2.gz	RSFACSFJQOGCQC-UHFFFAOYSA-N	-1	0	262.294	0.530	20	30		CCEDRM
C=CC[C@@H]1CCN(C(=O)C(=O)NC[C@H](C)C(=O)[O-])C1	ZINC000627279413	368942208	/nfs/dbraw/zinc/94/22/08/368942208.db2.gz	MPGDIVOMORNEIW-VHSXEESVSA-N	-1	0	268.313	0.248	20	30		CCEDRM
Cc1[nH]c(=O)c(C#N)c(C)c1CCC(=O)NCC(=O)[O-]	ZINC000567048528	291454964	/nfs/dbraw/zinc/45/49/64/291454964.db2.gz	GNKKAYIXIIXEKP-UHFFFAOYSA-N	-1	0	277.280	0.409	20	30		CCEDRM
CCn1cc(S(=O)(=O)[N-]c2n[nH]c(C)c2C#N)nc1C	ZINC000330843562	203303061	/nfs/dbraw/zinc/30/30/61/203303061.db2.gz	KMVHNVTXQOPBLS-UHFFFAOYSA-N	-1	0	294.340	0.915	20	30		CCEDRM
C=C(C)[C@@H]1OCC[C@@H]1CNS(=O)(=O)c1ncc[n-]1	ZINC000632301452	370972282	/nfs/dbraw/zinc/97/22/82/370972282.db2.gz	ZURFNMXNCVYWOM-ZJUUUORDSA-N	-1	0	271.342	0.669	20	30		CCEDRM
C=CCCS(=O)(=O)N1CC(F)(F)C[C@@H]1C(=O)[O-]	ZINC000629307039	369626969	/nfs/dbraw/zinc/62/69/69/369626969.db2.gz	PJIIZCYSHCHZLP-SSDOTTSWSA-N	-1	0	269.269	0.687	20	30		CCEDRM
C=CCN(CC=C)C(=O)C(=O)N1CC[C@H](C(=O)[O-])[C@H](C)C1	ZINC000629770938	369771806	/nfs/dbraw/zinc/77/18/06/369771806.db2.gz	CCJHQGRODQZBGO-NEPJUHHUSA-N	-1	0	294.351	0.756	20	30		CCEDRM
C=CCOC[C@@H](NC(=O)c1ocnc1C1CC1)C(=O)[O-]	ZINC000630186900	369996001	/nfs/dbraw/zinc/99/60/01/369996001.db2.gz	DCMKRZWBNPYUBS-SECBINFHSA-N	-1	0	280.280	0.938	20	30		CCEDRM
C=CCOC[C@H](NC(=O)[C@H]1[C@@H](C)[C@@H](C)O[C@H]1C)C(=O)[O-]	ZINC000630186836	369996280	/nfs/dbraw/zinc/99/62/80/369996280.db2.gz	ZCBLBYRYGUAGRD-OSUNSFLBSA-N	-1	0	285.340	0.818	20	30		CCEDRM
C=C(C)C[C@@H](NC(=O)c1nc2ncccn2n1)C(=O)[O-]	ZINC000630322879	370046954	/nfs/dbraw/zinc/04/69/54/370046954.db2.gz	XKIYUSJQSLMEQD-MRVPVSSYSA-N	-1	0	275.268	0.274	20	30		CCEDRM
C=C(C)C[C@H](NC(=O)c1cn(C2CC2)nn1)C(=O)[O-]	ZINC000630321185	370046987	/nfs/dbraw/zinc/04/69/87/370046987.db2.gz	GQXCYYAZFIVCHM-VIFPVBQESA-N	-1	0	264.285	0.762	20	30		CCEDRM
C=C(C)C[C@@H](NC(=O)Cc1ccn(CC)n1)C(=O)[O-]	ZINC000630322734	370047026	/nfs/dbraw/zinc/04/70/26/370047026.db2.gz	VOIPCEPTPAYWRH-LLVKDONJSA-N	-1	0	265.313	0.981	20	30		CCEDRM
C=C(C)[C@@H]1OCC[C@H]1CNC(=O)C1(C(=O)[O-])CCOCC1	ZINC000630302643	370037363	/nfs/dbraw/zinc/03/73/63/370037363.db2.gz	GLGFTLBUMGIBRT-RYUDHWBXSA-N	-1	0	297.351	0.965	20	30		CCEDRM
C=C(C)C[C@H](NC(=O)CS(=O)(=O)CCC)C(=O)[O-]	ZINC000630326406	370047857	/nfs/dbraw/zinc/04/78/57/370047857.db2.gz	PUAHXKBALWGVEC-VIFPVBQESA-N	-1	0	277.342	0.347	20	30		CCEDRM
C=CCn1cc(C(=O)N2C[C@@H](OC)C[C@@]2(C)C(=O)[O-])nn1	ZINC000630308492	370040921	/nfs/dbraw/zinc/04/09/21/370040921.db2.gz	BZVAZKNBMITCFA-ZANVPECISA-N	-1	0	294.311	0.168	20	30		CCEDRM
C=C(C)C[C@@H](NC(=O)[C@@H]1CC(=O)N(C2CC2)C1)C(=O)[O-]	ZINC000630316334	370043919	/nfs/dbraw/zinc/04/39/19/370043919.db2.gz	BLUJGJLXNKNRDE-MWLCHTKSSA-N	-1	0	280.324	0.533	20	30		CCEDRM
C=CCC[C@H](NC(=O)[C@@H]1COCCN1CC)C(=O)[O-]	ZINC000630181378	369993853	/nfs/dbraw/zinc/99/38/53/369993853.db2.gz	IUTUFWXNBVRJIW-QWRGUYRKSA-N	-1	0	270.329	0.243	20	30		CCEDRM
C=CCOC[C@H](NC(=O)c1cnn(CC(C)C)c1)C(=O)[O-]	ZINC000630185601	369995226	/nfs/dbraw/zinc/99/52/26/369995226.db2.gz	DPCSRXJBIPBLAW-LBPRGKRZSA-N	-1	0	295.339	0.925	20	30		CCEDRM
C=C(C)C[C@@H](NS(=O)(=O)N1CCCCC1)C(=O)[O-]	ZINC000630438114	370115980	/nfs/dbraw/zinc/11/59/80/370115980.db2.gz	LYGCVVAWDXFOPC-SNVBAGLBSA-N	-1	0	276.358	0.726	20	30		CCEDRM
C=C(C)CS(=O)(=O)N[C@@H](C(=O)[O-])[C@@H]1CCCO1	ZINC000630421811	370106864	/nfs/dbraw/zinc/10/68/64/370106864.db2.gz	IBYMAKBJVJYBSO-DTWKUNHWSA-N	-1	0	263.315	0.114	20	30		CCEDRM
C=C(C)C[C@H](NS(=O)(=O)N1CCC[C@H]1C)C(=O)[O-]	ZINC000630438365	370116860	/nfs/dbraw/zinc/11/68/60/370116860.db2.gz	OYGJFJIZUDYIKL-ZJUUUORDSA-N	-1	0	276.358	0.725	20	30		CCEDRM
C=C(C)C[C@@H](NC(=O)NC[C@@H]1CCOC1)C(=O)[O-]	ZINC000630468283	370128119	/nfs/dbraw/zinc/12/81/19/370128119.db2.gz	GERBAZFSTGDCIY-VHSXEESVSA-N	-1	0	256.302	0.742	20	30		CCEDRM
C=CCOC[C@H](NC(=O)N[C@@H]1C[C@H](C)O[C@@H]1C)C(=O)[O-]	ZINC000630497210	370136160	/nfs/dbraw/zinc/13/61/60/370136160.db2.gz	IPCBHXXFYMFXTI-ZDCRXTMVSA-N	-1	0	286.328	0.507	20	30		CCEDRM
CC(C)(C)n1cc(C#N)c(=NC(=O)C(=O)NC2CC2)[n-]1	ZINC000331667257	204058530	/nfs/dbraw/zinc/05/85/30/204058530.db2.gz	NGNXFVXEEOJZIH-UHFFFAOYSA-N	-1	0	275.312	0.149	20	30		CCEDRM
C[C@@H]1CCn2ncc(C(=O)N=c3[n-]n(C)cc3C#N)c2C1	ZINC000574401640	335016587	/nfs/dbraw/zinc/01/65/87/335016587.db2.gz	NJKCFULTOKUERP-SECBINFHSA-N	-1	0	284.323	0.745	20	30		CCEDRM
C=CCn1c(Cc2cc(C)[nH]n2)n[n-]c1=Nc1cnn(C)c1	ZINC000634336379	372017817	/nfs/dbraw/zinc/01/78/17/372017817.db2.gz	OLVUZHXPGTUXKM-UHFFFAOYSA-N	-1	0	298.354	0.985	20	30		CCEDRM
C=C[C@@H]1OCC[C@H]1NC(=O)[C@@H]1[C@@H](C(=O)[O-])C1(C)C	ZINC000634840764	372267162	/nfs/dbraw/zinc/26/71/62/372267162.db2.gz	UYCVLAWXQYVWRI-KATARQTJSA-N	-1	0	253.298	0.803	20	30		CCEDRM
C=C[C@@H]1OCC[C@H]1C(=O)N1CCC[C@H](c2n[n-]c(=N)o2)C1	ZINC000636197578	373442323	/nfs/dbraw/zinc/44/23/23/373442323.db2.gz	HXXFNRGPIJGMOW-AXFHLTTASA-N	-1	0	292.339	0.779	20	30		CCEDRM
C=CCOCCNC(=O)N1CC2CC1(C(=O)[O-])C2	ZINC000656582313	412829885	/nfs/dbraw/zinc/82/98/85/412829885.db2.gz	JHUNQQXTBVZGNR-UHFFFAOYSA-N	-1	0	254.286	0.448	20	30		CCEDRM
Cc1nnc([C@@H](C)[N-]S(=O)(=O)c2cccnc2C#N)o1	ZINC000515546593	249138577	/nfs/dbraw/zinc/13/85/77/249138577.db2.gz	YTZZISJDTMHTFK-SSDOTTSWSA-N	-1	0	293.308	0.684	20	30		CCEDRM
N#CCCCCS(=O)(=O)N[C@H]1C[C@H](C(=O)[O-])C1	ZINC000574869149	335053394	/nfs/dbraw/zinc/05/33/94/335053394.db2.gz	PHNURKRGGMBYBK-KYZUINATSA-N	-1	0	260.315	0.463	20	30		CCEDRM
CCOc1cnc(C(=O)Nc2nc(C#N)c(C#N)[n-]2)cn1	ZINC000188200522	388917677	/nfs/dbraw/zinc/91/76/77/388917677.db2.gz	YRSBUPHSHWAXAK-UHFFFAOYSA-N	-1	0	283.251	0.594	20	30		CCEDRM
C#CCN(C)C(=O)c1cc(F)ccc1[N-]S(C)(=O)=O	ZINC000191006571	389003009	/nfs/dbraw/zinc/00/30/09/389003009.db2.gz	QTSPEKJDCYBHNS-UHFFFAOYSA-N	-1	0	284.312	0.902	20	30		CCEDRM
CC(C)C[C@@H](CNC(=O)N1CCO[C@@H](C#N)C1)C(=O)[O-]	ZINC000094706404	389040199	/nfs/dbraw/zinc/04/01/99/389040199.db2.gz	VPHMCXCPDACFRX-QWRGUYRKSA-N	-1	0	283.328	0.667	20	30		CCEDRM
C=CCCO[C@@H](C)C(=O)NC(C)(C)c1nnn[n-]1	ZINC000359802509	389183865	/nfs/dbraw/zinc/18/38/65/389183865.db2.gz	UDEUFJMYSASLJG-QMMMGPOBSA-N	-1	0	253.306	0.532	20	30		CCEDRM
Cc1cc(N=C([O-])CN2CCOCC2=O)cn(C)c1=O	ZINC000329823382	389204504	/nfs/dbraw/zinc/20/45/04/389204504.db2.gz	BEOPQOQXRIAWFW-UHFFFAOYSA-N	-1	0	279.296	0.141	20	30		CCEDRM
CCN(C[C@@H](C)C#N)S(=O)(=O)NCc1nc(C)no1	ZINC000330388391	389223583	/nfs/dbraw/zinc/22/35/83/389223583.db2.gz	NITIPSBZLMAHBC-QMMMGPOBSA-N	-1	0	287.345	0.194	20	30		CCEDRM
Cn1c(NC(C)(C)CCC(=O)[O-])c(C#N)c(=O)n(C)c1=O	ZINC000263435656	389299436	/nfs/dbraw/zinc/29/94/36/389299436.db2.gz	VGEZDKGRLKFJPA-UHFFFAOYSA-N	-1	0	294.311	0.011	20	30		CCEDRM
C=CCCO[C@@H](C)C(=O)NC1(c2nnn[n-]2)CC1	ZINC000348279707	389372195	/nfs/dbraw/zinc/37/21/95/389372195.db2.gz	FTAQNZCACCVXDF-QMMMGPOBSA-N	-1	0	251.290	0.286	20	30		CCEDRM
COC(=O)c1ccc(F)cc1S(=O)(=O)NC1(C#N)CC1	ZINC000179232894	389647511	/nfs/dbraw/zinc/64/75/11/389647511.db2.gz	TZYGCVDDFXBFKL-UHFFFAOYSA-N	-1	0	298.295	0.947	20	30		CCEDRM
C=CC[C@@H](CC)NC(=O)c1cnc([O-])n(C)c1=O	ZINC000281863994	389629881	/nfs/dbraw/zinc/62/98/81/389629881.db2.gz	YXTFNRKFGBJLSD-MRVPVSSYSA-N	-1	0	251.286	0.570	20	30		CCEDRM
C=CCCn1cc(C(=O)N2C[C@@H](C)O[C@H](C(=O)[O-])C2)nn1	ZINC000425240049	389642653	/nfs/dbraw/zinc/64/26/53/389642653.db2.gz	LKHGIEXAOMRNSC-KOLCDFICSA-N	-1	0	294.311	0.168	20	30		CCEDRM
C=CCCn1cc(C(=O)N[C@@](C)(COC)CC(=O)[O-])nn1	ZINC000425240581	389643170	/nfs/dbraw/zinc/64/31/70/389643170.db2.gz	MAHMJIWXYZGPHH-CYBMUJFWSA-N	-1	0	296.327	0.464	20	30		CCEDRM
C=CCN(C(=O)N=c1ncn(CC(=O)OCC)[n-]1)C1CC1	ZINC000425707254	389655344	/nfs/dbraw/zinc/65/53/44/389655344.db2.gz	ZVQZFOFQQLUYEG-UHFFFAOYSA-N	-1	0	293.327	0.445	20	30		CCEDRM
N#Cc1csc(CN[C@]2(C(=O)[O-])CCOC2)n1	ZINC000417565424	389832090	/nfs/dbraw/zinc/83/20/90/389832090.db2.gz	KTRZOOITYDLPHB-SNVBAGLBSA-N	-1	0	253.283	0.348	20	30		CCEDRM
C[C@@H](C#N)NC(=O)c1cc(S(=O)(=O)N(C)C)ccc1[O-]	ZINC000436771729	389984679	/nfs/dbraw/zinc/98/46/79/389984679.db2.gz	YAWINQJEXDPNGF-QMMMGPOBSA-N	-1	0	297.336	0.284	20	30		CCEDRM
N#C[C@@]1(NC(=O)c2c([O-])cccc2F)CCOC1	ZINC000436924358	389987078	/nfs/dbraw/zinc/98/70/78/389987078.db2.gz	GFOCIGLMNNSTLK-LBPRGKRZSA-N	-1	0	250.229	0.944	20	30		CCEDRM
C=CCn1cc(C(=O)N(C)C[C@H](C)C(=O)[O-])nn1	ZINC000647743108	390156338	/nfs/dbraw/zinc/15/63/38/390156338.db2.gz	YIAYUYBOHUBPNA-QMMMGPOBSA-N	-1	0	252.274	0.257	20	30		CCEDRM
C=CCOCC(=O)N1CCC[C@H](c2nnn[n-]2)C1	ZINC000540424506	390220437	/nfs/dbraw/zinc/22/04/37/390220437.db2.gz	KREJJBCAWSMELC-VIFPVBQESA-N	-1	0	251.290	0.108	20	30		CCEDRM
C[C@H](CCCC(=O)[O-])NS(=O)(=O)N(C)[C@H](C)CC#N	ZINC000580333682	390240606	/nfs/dbraw/zinc/24/06/06/390240606.db2.gz	XWXMNCYAUVZRIR-NXEZZACHSA-N	-1	0	291.373	0.698	20	30		CCEDRM
CC#CC[C@H](NS(=O)(=O)[C@@H](C)CCOC)C(=O)[O-]	ZINC000541001063	390233368	/nfs/dbraw/zinc/23/33/68/390233368.db2.gz	UPOQIEJERSJRSM-UWVGGRQHSA-N	-1	0	277.342	0.197	20	30		CCEDRM
CC#CC[C@H](NS(=O)(=O)c1cn(CC)cn1)C(=O)[O-]	ZINC000543790351	390294192	/nfs/dbraw/zinc/29/41/92/390294192.db2.gz	IGHYNIWQJPMMAE-VIFPVBQESA-N	-1	0	285.325	0.048	20	30		CCEDRM
C=CCn1cc(CNC(=O)[C@H]2CC=CC[C@@H]2C(=O)[O-])nn1	ZINC000644538324	390248937	/nfs/dbraw/zinc/24/89/37/390248937.db2.gz	UIKXGHROTCZUPD-RYUDHWBXSA-N	-1	0	290.323	0.747	20	30		CCEDRM
C=CCCCS(=O)(=O)N[C@@H](C[C@@H]1CCOC1)C(=O)[O-]	ZINC000644629114	390269849	/nfs/dbraw/zinc/26/98/49/390269849.db2.gz	DDRDQMSESRXZJZ-QWRGUYRKSA-N	-1	0	291.369	0.752	20	30		CCEDRM
C=CCC1(S(=O)(=O)[N-]C(=O)CN(C)C(=O)OC)CC1	ZINC000495997451	390280792	/nfs/dbraw/zinc/28/07/92/390280792.db2.gz	FNSAEKYWGIMVRS-UHFFFAOYSA-N	-1	0	290.341	0.239	20	30		CCEDRM
C=C[C@@H](CCC(=O)[O-])NS(=O)(=O)C[C@@H](C)COCC	ZINC000583875511	390320705	/nfs/dbraw/zinc/32/07/05/390320705.db2.gz	KGCNXNOLUXZGNL-QWRGUYRKSA-N	-1	0	293.385	0.998	20	30		CCEDRM
C=CCCn1cc(C(=O)N(CC(=O)[O-])CC2CC2)nn1	ZINC000644873076	390335735	/nfs/dbraw/zinc/33/57/35/390335735.db2.gz	VSCFPZZOHIUVPZ-UHFFFAOYSA-N	-1	0	278.312	0.791	20	30		CCEDRM
N#Cc1ccc(F)c(CS(=O)(=O)NC2(C(=O)[O-])CC2)c1	ZINC000554539134	390431605	/nfs/dbraw/zinc/43/16/05/390431605.db2.gz	LTWXDXMTRWPUDI-UHFFFAOYSA-N	-1	0	298.295	0.734	20	30		CCEDRM
C=CCOC[C@@H](NC(=O)c1cc([N+](=O)[O-])cn1C)C(=O)[O-]	ZINC000562620543	390490424	/nfs/dbraw/zinc/49/04/24/390490424.db2.gz	DBTQAPPATFZIFK-SECBINFHSA-N	-1	0	297.267	0.319	20	30		CCEDRM
C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H](CCC)c1nnn[n-]1	ZINC000649145752	390496720	/nfs/dbraw/zinc/49/67/20/390496720.db2.gz	FWKKCMBAKOHCDY-UTLUCORTSA-N	-1	0	265.317	0.748	20	30		CCEDRM
C=CC[C@@H](CO)NC(=O)N[C@@H]1CC[C@H](C(=O)[O-])C1	ZINC000646177982	390624403	/nfs/dbraw/zinc/62/44/03/390624403.db2.gz	UJOCVJZPVAWPBO-AEJSXWLSSA-N	-1	0	256.302	0.476	20	30		CCEDRM
N#CCC1(CS(=O)(=O)N2CSC[C@@H]2C(=O)[O-])CC1	ZINC000566311812	390596415	/nfs/dbraw/zinc/59/64/15/390596415.db2.gz	IMBGMXGFYNOMNU-MRVPVSSYSA-N	-1	0	290.366	0.470	20	30		CCEDRM
COCCN=c1[n-]nc(Sc2cc(C#N)ncn2)s1	ZINC000527380086	390704789	/nfs/dbraw/zinc/70/47/89/390704789.db2.gz	JWUIQWUFYJSZFZ-UHFFFAOYSA-N	-1	0	294.365	0.831	20	30		CCEDRM
Cn1cc(C#N)c([N-]S(=O)(=O)CCOCC2CC2)n1	ZINC000567658856	390708934	/nfs/dbraw/zinc/70/89/34/390708934.db2.gz	OPQQJFKVZXSSFW-UHFFFAOYSA-N	-1	0	284.341	0.460	20	30		CCEDRM
C=C(C)[C@H]1OCC[C@H]1C(=O)N[C@@H](COC)C(=O)[O-]	ZINC000567970490	390711929	/nfs/dbraw/zinc/71/19/29/390711929.db2.gz	PVIDQBPHDNSVFV-KXUCPTDWSA-N	-1	0	257.286	0.183	20	30		CCEDRM
CC#CC[C@H](CO)NC(=O)N=c1ccc(OC(C)C)n[n-]1	ZINC000646369340	390673463	/nfs/dbraw/zinc/67/34/63/390673463.db2.gz	NOVATHMFPFYBFE-LLVKDONJSA-N	-1	0	292.339	0.582	20	30		CCEDRM
C=C[C@@H](CCC(=O)[O-])NS(=O)(=O)N1CC[C@H](C)C1	ZINC000567218148	390680047	/nfs/dbraw/zinc/68/00/47/390680047.db2.gz	XCVXIPIUUJIACU-UWVGGRQHSA-N	-1	0	276.358	0.582	20	30		CCEDRM
N#CCCCS(=O)(=O)N1CC[C@H](C(=O)[O-])C(F)(F)C1	ZINC000567276034	390685679	/nfs/dbraw/zinc/68/56/79/390685679.db2.gz	QZHJFXQMUIRORX-MRVPVSSYSA-N	-1	0	296.295	0.662	20	30		CCEDRM
N#Cc1nc(NC(=O)CCOCC2CC2)[n-]c1C#N	ZINC000531430855	390878361	/nfs/dbraw/zinc/87/83/61/390878361.db2.gz	FQHBKGKIKMKHCB-UHFFFAOYSA-N	-1	0	259.269	0.908	20	30		CCEDRM
C=CCn1cc(C(=O)N[C@@H](CCC)C(=O)[O-])nn1	ZINC000647598320	390847840	/nfs/dbraw/zinc/84/78/40/390847840.db2.gz	LDDTTWLAJVBKLN-QMMMGPOBSA-N	-1	0	252.274	0.447	20	30		CCEDRM
C=CCC[C@@H](NC(=O)Nc1cc(C)on1)C(=O)[O-]	ZINC000647610736	390850649	/nfs/dbraw/zinc/85/06/49/390850649.db2.gz	KNFLHQNVUPYVOK-MRVPVSSYSA-N	-1	0	253.258	0.946	20	30		CCEDRM
C=CCOCCCC(=O)N1CCC[C@@H](c2nnn[n-]2)C1	ZINC000532793158	390884921	/nfs/dbraw/zinc/88/49/21/390884921.db2.gz	GMAPKDQUIGSNLY-LLVKDONJSA-N	-1	0	279.344	0.889	20	30		CCEDRM
N#Cc1ccc(S(=O)(=O)NCCCC(=O)[O-])o1	ZINC000262291509	131209081	/nfs/dbraw/zinc/20/90/81/131209081.db2.gz	HKSRNHYFNNZCJD-UHFFFAOYSA-N	-1	0	258.255	0.294	20	30		CCEDRM
CS(=O)(=O)NCCNC(=O)c1s[n-]c(=O)c1Cl	ZINC000330465172	397452056	/nfs/dbraw/zinc/45/20/56/397452056.db2.gz	WCMUTDKTCVBBRL-UHFFFAOYSA-N	-1	0	299.761	0.356	20	30		CCEDRM
Cc1[n-][nH]c(=NC(=O)c2cccn3c(=O)[nH]nc23)c1C#N	ZINC000357261611	144075833	/nfs/dbraw/zinc/07/58/33/144075833.db2.gz	RCBCSAYGOIFAEU-UHFFFAOYSA-N	-1	0	283.251	0.012	20	30		CCEDRM
Cc1cnc(N)c(S(=O)(=O)[N-]c2nn(C)cc2C#N)c1	ZINC000358562024	144162834	/nfs/dbraw/zinc/16/28/34/144162834.db2.gz	BKKDCFHKJHNFOO-UHFFFAOYSA-N	-1	0	292.324	0.378	20	30		CCEDRM
N#Cc1cccc(-c2c[nH]c(CNC(=O)C(=O)[O-])n2)c1	ZINC000368649939	144237574	/nfs/dbraw/zinc/23/75/74/144237574.db2.gz	LDYNRXYLBILJPJ-UHFFFAOYSA-N	-1	0	270.248	0.649	20	30		CCEDRM
C=CCC[C@H](NC(=O)Cc1ccn(CC)n1)C(=O)[O-]	ZINC000649473249	397617192	/nfs/dbraw/zinc/61/71/92/397617192.db2.gz	UEPUVEHZWFPDPN-NSHDSACASA-N	-1	0	265.313	0.981	20	30		CCEDRM
C[C@H](CNS(=O)(=O)c1ccc(C#N)cc1F)C(=O)[O-]	ZINC000547870711	285985031	/nfs/dbraw/zinc/98/50/31/285985031.db2.gz	IMBSMWPIJOKXBZ-SSDOTTSWSA-N	-1	0	286.284	0.696	20	30		CCEDRM
CCO[C@@H]1C[C@H](NC(=O)N=c2ccc(OC)n[n-]2)[C@@H]1OC	ZINC000329038772	286313199	/nfs/dbraw/zinc/31/31/99/286313199.db2.gz	NRTSFXJOFOROGJ-SBMIAAHKSA-N	-1	0	296.327	0.425	20	30		CCEDRM
C=CCC[C@H](NC(=O)CCc1cn(C)nn1)C(=O)[O-]	ZINC000659154798	413318892	/nfs/dbraw/zinc/31/88/92/413318892.db2.gz	VOIPWWJDVGGKMC-JTQLQIEISA-N	-1	0	266.301	0.283	20	30		CCEDRM
C=CCN(C(=O)[C@@H]1CC[C@H](C(=O)[O-])O1)[C@@H](C)COC	ZINC000659192707	413336195	/nfs/dbraw/zinc/33/61/95/413336195.db2.gz	OMMHRGUPZNDXMT-GARJFASQSA-N	-1	0	271.313	0.668	20	30		CCEDRM
C#CCNS(=O)(=O)c1cc(C(=O)[O-])ccc1Cl	ZINC000013077160	170530807	/nfs/dbraw/zinc/53/08/07/170530807.db2.gz	XUYBDIACVSVEOW-UHFFFAOYSA-N	-1	0	273.697	0.950	20	30		CCEDRM
C=CCOCCNC(=O)N[C@](C)(C(=O)[O-])C1CC1	ZINC000310717930	411747212	/nfs/dbraw/zinc/74/72/12/411747212.db2.gz	PCLSAOIEQUCFNE-LBPRGKRZSA-N	-1	0	256.302	0.742	20	30		CCEDRM
C=CCOc1cccnc1C(=O)N(CCOC)CC(=O)[O-]	ZINC000653536977	412312834	/nfs/dbraw/zinc/31/28/34/412312834.db2.gz	BLHZHIYCYVGNDL-UHFFFAOYSA-N	-1	0	294.307	0.820	20	30		CCEDRM
C=C[C@@H]1OCC[C@H]1NC(=O)NCC1(C(=O)[O-])CCC1	ZINC000659405617	413477575	/nfs/dbraw/zinc/47/75/75/413477575.db2.gz	JFQGRAXEPTWLPI-ZJUUUORDSA-N	-1	0	268.313	0.884	20	30		CCEDRM
C=CC[C@H]1CCCN(C(=O)C(=O)NCCC(=O)[O-])C1	ZINC000659659292	413758030	/nfs/dbraw/zinc/75/80/30/413758030.db2.gz	RCSSDBZXINCSME-JTQLQIEISA-N	-1	0	268.313	0.392	20	30		CCEDRM
C=CC[C@H]1CCCN(C(=O)C(=O)NCCCC(=O)[O-])C1	ZINC000659655526	413758059	/nfs/dbraw/zinc/75/80/59/413758059.db2.gz	KTUQAJHXVQLDES-NSHDSACASA-N	-1	0	282.340	0.782	20	30		CCEDRM
C=CC1CCN(C(=O)C(=O)NCC2(C(=O)[O-])CCC2)CC1	ZINC000659668476	413763659	/nfs/dbraw/zinc/76/36/59/413763659.db2.gz	KZZVGUOWTPYVJV-UHFFFAOYSA-N	-1	0	294.351	0.782	20	30		CCEDRM
C=CCCn1cc(CN2CC[C@H](OC)C[C@H]2C(=O)[O-])nn1	ZINC000659794572	413878535	/nfs/dbraw/zinc/87/85/35/413878535.db2.gz	RLKZWNWJLLVNKA-STQMWFEESA-N	-1	0	294.355	0.918	20	30		CCEDRM
C[C@H](Oc1ccccc1C#N)C(=O)N(C)CC(=O)[O-]	ZINC000036974980	172842386	/nfs/dbraw/zinc/84/23/86/172842386.db2.gz	SSDUSSLOVXRKTO-VIFPVBQESA-N	-1	0	262.265	0.869	20	30		CCEDRM
N#CCC1(O)CN(C(=O)c2cc([O-])ccc2[N+](=O)[O-])C1	ZINC000354859722	227176907	/nfs/dbraw/zinc/17/69/07/227176907.db2.gz	ZVMCUHKWHAKIFI-UHFFFAOYSA-N	-1	0	277.236	0.401	20	30		CCEDRM
C[C@H]1CN(C(=O)N=c2cn[n-]s2)CCS1(=O)=O	ZINC000330242071	228077322	/nfs/dbraw/zinc/07/73/22/228077322.db2.gz	FZPOITLMHYOEOB-LURJTMIESA-N	-1	0	276.343	0.203	20	30		CCEDRM
C=C(C)COCCNC(=O)N1CCC[C@H]1C(=O)[O-]	ZINC000166864449	544725469	/nfs/dbraw/zinc/72/54/69/544725469.db2.gz	JIVBLLYSHALZQQ-JTQLQIEISA-N	-1	0	256.302	0.838	20	30		CCEDRM
C=CC[C@H](NS(=O)(=O)N(CCC)CCC)C(=O)[O-]	ZINC000161297293	544706089	/nfs/dbraw/zinc/70/60/89/544706089.db2.gz	LQAMVBMXENQZLR-JTQLQIEISA-N	-1	0	278.374	0.972	20	30		CCEDRM
CS(=O)(=O)[N-]C(=O)[C@@H]1CC(=O)N(CC(F)(F)F)C1	ZINC000069539626	260150410	/nfs/dbraw/zinc/15/04/10/260150410.db2.gz	KEGFCMUHUHYSDM-RXMQYKEDSA-N	-1	0	288.247	0.313	20	30		CCEDRM
CC(C)CCN(CCC#N)C(=O)c1cnc([O-])n(C)c1=O	ZINC000267681866	262940264	/nfs/dbraw/zinc/94/02/64/262940264.db2.gz	WTUIUJMXGNFSRM-UHFFFAOYSA-N	-1	0	292.339	0.888	20	30		CCEDRM
C[C@@H](CN(C)C(=O)C1(C#N)CCCC1)c1nnn[n-]1	ZINC000273590695	263018100	/nfs/dbraw/zinc/01/81/00/263018100.db2.gz	SQHUGKYAMZQVRX-VIFPVBQESA-N	-1	0	262.317	0.846	20	30		CCEDRM
N#CC1(CS(=O)(=O)NCc2ccc(C(=O)[O-])o2)CC1	ZINC000275005672	263031910	/nfs/dbraw/zinc/03/19/10/263031910.db2.gz	MNDGMBJQWOHFDK-UHFFFAOYSA-N	-1	0	284.293	0.701	20	30		CCEDRM
C#CCN(CC#N)CC(=O)[N-]OCc1ccccc1	ZINC000281309521	263068116	/nfs/dbraw/zinc/06/81/16/263068116.db2.gz	IIEZJXCXYTUGSM-UHFFFAOYSA-N	-1	0	257.293	0.693	20	30		CCEDRM
C=C(CN=c1ccc(C(=O)NCCO)n[n-]1)c1ccccc1	ZINC000340854327	263308778	/nfs/dbraw/zinc/30/87/78/263308778.db2.gz	SZRNKVYAGNIOLU-UHFFFAOYSA-N	-1	0	298.346	0.746	20	30		CCEDRM
CNC(=O)[C@H](C)CN(C)C(=O)N=c1cn[n-]s1	ZINC000331080176	264115805	/nfs/dbraw/zinc/11/58/05/264115805.db2.gz	XIGKMWKYFUDSMB-ZCFIWIBFSA-N	-1	0	257.319	0.398	20	30		CCEDRM
CNC(=O)CCCN(C)C(=O)N=c1cn[n-]s1	ZINC000331168043	264145893	/nfs/dbraw/zinc/14/58/93/264145893.db2.gz	NENRXZNNMCNFRY-UHFFFAOYSA-N	-1	0	257.319	0.542	20	30		CCEDRM
COCCO[C@H]1CCN(C([O-])=Nc2cccn(C)c2=O)C1	ZINC000331296695	264197964	/nfs/dbraw/zinc/19/79/64/264197964.db2.gz	NZMIWOIAERDRKS-NSHDSACASA-N	-1	0	295.339	0.668	20	30		CCEDRM
C#CC[C@H](NS(=O)(=O)N1CCCC[C@H]1C)C(=O)[O-]	ZINC000161252231	264279485	/nfs/dbraw/zinc/27/94/85/264279485.db2.gz	CIOYUQUSMBXNKJ-ZJUUUORDSA-N	-1	0	274.342	0.172	20	30		CCEDRM
C#CC[C@H](NS(=O)(=O)Cc1ccc(F)cc1)C(=O)[O-]	ZINC000161252515	264280583	/nfs/dbraw/zinc/28/05/83/264280583.db2.gz	TYISBXYQJFDGMO-NSHDSACASA-N	-1	0	285.296	0.722	20	30		CCEDRM
C=C(C)[C@H]1OCC[C@@H]1CNC(=O)c1cnc([O-])n(C)c1=O	ZINC000281187868	264475816	/nfs/dbraw/zinc/47/58/16/264475816.db2.gz	CAIVJQVDHJGRCT-MWLCHTKSSA-N	-1	0	293.323	0.197	20	30		CCEDRM
N#CCC1(O)CN(C(=O)c2nn(-c3ccccc3)cc2[O-])C1	ZINC000356558416	266137808	/nfs/dbraw/zinc/13/78/08/266137808.db2.gz	UOQSZSGVPWAPSR-UHFFFAOYSA-N	-1	0	298.302	0.678	20	30		CCEDRM
C=C[C@H](CO)NC(=O)c1ccc([N+](=O)[O-])c([O-])c1	ZINC000356830106	266182826	/nfs/dbraw/zinc/18/28/26/266182826.db2.gz	GHXIGKHBFNUJJB-MRVPVSSYSA-N	-1	0	252.226	0.577	20	30		CCEDRM
C=CCC1(C(=O)Nc2n[n-]c(S(C)(=O)=O)n2)CCC1	ZINC000361857275	266894947	/nfs/dbraw/zinc/89/49/47/266894947.db2.gz	DKFYQELYEYSTKE-UHFFFAOYSA-N	-1	0	284.341	0.893	20	30		CCEDRM
COC(=O)CN(CC#N)C(=O)c1ccc(C#N)c(O)c1	ZINC000442674011	267363803	/nfs/dbraw/zinc/36/38/03/267363803.db2.gz	WRFLDZOKCMWBHN-UHFFFAOYSA-N	-1	0	273.248	0.403	20	30		CCEDRM
N#Cc1ccc(C(=O)NCCc2nc(=O)o[n-]2)cc1	ZINC000392175190	268033782	/nfs/dbraw/zinc/03/37/82/268033782.db2.gz	SRDCUQSQWZJHBV-UHFFFAOYSA-N	-1	0	258.237	0.207	20	30		CCEDRM
C=CCCS(=O)(=O)N1CCO[C@H](C)[C@H]1C(=O)[O-]	ZINC000278801725	277834908	/nfs/dbraw/zinc/83/49/08/277834908.db2.gz	WFOWLMYHYWIAEV-BDAKNGLRSA-N	-1	0	263.315	0.066	20	30		CCEDRM
N#Cc1ccc(S(=O)(=O)N2CCCC[C@H]2C(=O)[O-])o1	ZINC000262244594	303196868	/nfs/dbraw/zinc/19/68/68/303196868.db2.gz	AWKIGTDYXSFHTM-VIFPVBQESA-N	-1	0	284.293	0.779	20	30		CCEDRM
CC#CC[C@H](NS(=O)(=O)[C@H]1CCO[C@@H](C)C1)C(=O)[O-]	ZINC000570850624	327626577	/nfs/dbraw/zinc/62/65/77/327626577.db2.gz	XCQYJIFPWHWKFO-DCAQKATOSA-N	-1	0	289.353	0.340	20	30		CCEDRM
CCN([C@H](C)CC(=O)[O-])S(=O)(=O)N(C)C[C@H](C)C#N	ZINC000570971300	327967266	/nfs/dbraw/zinc/96/72/66/327967266.db2.gz	CNNRFMCGCHESFN-NXEZZACHSA-N	-1	0	291.373	0.508	20	30		CCEDRM
CCC(=O)C[C@@H](NS(=O)(=O)CC1(C#N)CC1)C(=O)[O-]	ZINC000274956643	328213775	/nfs/dbraw/zinc/21/37/75/328213775.db2.gz	HARBBYMFSJCRJS-SECBINFHSA-N	-1	0	288.325	0.032	20	30		CCEDRM
C=CCCC[C@H](C)NC(=O)Cn1cc(C(=O)[O-])nn1	ZINC000263555289	327080143	/nfs/dbraw/zinc/08/01/43/327080143.db2.gz	YMDHMFAGFYEUGF-VIFPVBQESA-N	-1	0	266.301	0.837	20	30		CCEDRM
C=CCS(=O)(=O)[N-]C(=O)[C@@H]1CCCC[C@H]1OC	ZINC000408130828	327104655	/nfs/dbraw/zinc/10/46/55/327104655.db2.gz	FLIQDSVCYYSDJW-NXEZZACHSA-N	-1	0	261.343	0.824	20	30		CCEDRM
C=C[C@@H](CCC(=O)[O-])NS(=O)(=O)c1ccco1	ZINC000573181969	327119606	/nfs/dbraw/zinc/11/96/06/327119606.db2.gz	GPUUPSRPORIYEH-QMMMGPOBSA-N	-1	0	259.283	0.977	20	30		CCEDRM
CC#CC[C@H](NS(=O)(=O)c1cccn1C)C(=O)[O-]	ZINC000570614756	327604428	/nfs/dbraw/zinc/60/44/28/327604428.db2.gz	BPTUPDMCKJWYBQ-VIFPVBQESA-N	-1	0	270.310	0.170	20	30		CCEDRM
N#C[C@H]1COCCN1Cc1nc(=O)c2sccc2[n-]1	ZINC000174849111	329164044	/nfs/dbraw/zinc/16/40/44/329164044.db2.gz	FTMGLIWNBQRVEN-QMMMGPOBSA-N	-1	0	276.321	0.709	20	30		CCEDRM
C=CCC1(C(=O)NC2(c3nnn[n-]3)CC2)CCOCC1	ZINC000583140081	329320773	/nfs/dbraw/zinc/32/07/73/329320773.db2.gz	LTZBGVLBRASJJL-UHFFFAOYSA-N	-1	0	277.328	0.678	20	30		CCEDRM
C=CCCC[C@H](C)NC(=O)C(=O)NCCCC(=O)[O-]	ZINC000420551948	329777845	/nfs/dbraw/zinc/77/78/45/329777845.db2.gz	GSOBJGBUALLVSQ-JTQLQIEISA-N	-1	0	270.329	0.828	20	30		CCEDRM
C=C(C)C[C@@H](C)C(=O)NCc1cn(CC(=O)[O-])nn1	ZINC000262850807	330035426	/nfs/dbraw/zinc/03/54/26/330035426.db2.gz	WXHGLXYISBALCJ-SECBINFHSA-N	-1	0	266.301	0.581	20	30		CCEDRM
C=CCOC[C@@H](NC(=O)c1ccc(C)o1)C(=O)[O-]	ZINC000263145623	330045750	/nfs/dbraw/zinc/04/57/50/330045750.db2.gz	WYXBXHINUWAMAI-SECBINFHSA-N	-1	0	253.254	0.974	20	30		CCEDRM
C[C@@H]1CC[C@@H](C(=O)[O-])CN1S(=O)(=O)CC1(C#N)CC1	ZINC000263215542	330049590	/nfs/dbraw/zinc/04/95/90/330049590.db2.gz	ZXQVZCCTCAALDK-NXEZZACHSA-N	-1	0	286.353	0.805	20	30		CCEDRM
C=CCSCCNC(=O)c1cnc(C(=O)[O-])cn1	ZINC000263281159	330051641	/nfs/dbraw/zinc/05/16/41/330051641.db2.gz	OIMTZKROPPCTCW-UHFFFAOYSA-N	-1	0	267.310	0.824	20	30		CCEDRM
CCCN(CC(=O)[O-])S(=O)(=O)CC1(CC#N)CC1	ZINC000263474409	330057288	/nfs/dbraw/zinc/05/72/88/330057288.db2.gz	IUAIKTIOCNEADO-UHFFFAOYSA-N	-1	0	274.342	0.807	20	30		CCEDRM
C#CCNC(=O)c1ccc(N(C)C[C@H](C)C(=O)[O-])nc1	ZINC000263549897	330059470	/nfs/dbraw/zinc/05/94/70/330059470.db2.gz	JZGGKWHXBQOWJP-JTQLQIEISA-N	-1	0	275.308	0.602	20	30		CCEDRM
C=CCCCNC(=O)C(=O)N1C[C@@H](C)C[C@H](C(=O)[O-])C1	ZINC000422698890	330150933	/nfs/dbraw/zinc/15/09/33/330150933.db2.gz	BQSUECYPKDUEKS-QWRGUYRKSA-N	-1	0	282.340	0.638	20	30		CCEDRM
C=C(CC)CNC(=O)C(=O)N1C[C@H](C(=O)[O-])C[C@H](C)C1	ZINC000422702561	330151022	/nfs/dbraw/zinc/15/10/22/330151022.db2.gz	KZZQHSMMAFRCOO-WDEREUQCSA-N	-1	0	282.340	0.638	20	30		CCEDRM
C=C(CC)CNC(=O)C(=O)N1C[C@@H](C)C[C@H](C(=O)[O-])C1	ZINC000422702560	330151207	/nfs/dbraw/zinc/15/12/07/330151207.db2.gz	KZZQHSMMAFRCOO-QWRGUYRKSA-N	-1	0	282.340	0.638	20	30		CCEDRM
C=CCCN(C)C(=O)C(=O)N1C[C@@H](C)[C@H](C(=O)[O-])C1	ZINC000422876254	330158512	/nfs/dbraw/zinc/15/85/12/330158512.db2.gz	QCXOQNHBADYISJ-NXEZZACHSA-N	-1	0	268.313	0.200	20	30		CCEDRM
C[C@@H]1CN(S(=O)(=O)N(C)CCC#N)CC[C@@H]1C(=O)[O-]	ZINC000527484464	330249103	/nfs/dbraw/zinc/24/91/03/330249103.db2.gz	BNWVJCUMFMFPSG-ZJUUUORDSA-N	-1	0	289.357	0.119	20	30		CCEDRM
C=CCCn1cc(C(=O)N(CCOC)CC(=O)[O-])nn1	ZINC000424229350	330330804	/nfs/dbraw/zinc/33/08/04/330330804.db2.gz	WYRPBYRQOKOGKH-UHFFFAOYSA-N	-1	0	282.300	0.027	20	30		CCEDRM
C[C@H]1CCCN(S(=O)(=O)CCCC#N)[C@@H]1C(=O)[O-]	ZINC000424364131	330347658	/nfs/dbraw/zinc/34/76/58/330347658.db2.gz	CUBRCBQSNCBONQ-UWVGGRQHSA-N	-1	0	274.342	0.805	20	30		CCEDRM
CC(C)(CCNC(=O)N=c1ccn(CCC#N)[nH]1)C(=O)[O-]	ZINC000424381648	330349249	/nfs/dbraw/zinc/34/92/49/330349249.db2.gz	NAFOYHZWCIACRV-UHFFFAOYSA-N	-1	0	293.327	0.841	20	30		CCEDRM
C=CC[C@H](CO)CNC(=O)NCCC(C)(C)C(=O)[O-]	ZINC000424410666	330350347	/nfs/dbraw/zinc/35/03/47/330350347.db2.gz	ZGJDVDCZIKQAMA-JTQLQIEISA-N	-1	0	272.345	0.971	20	30		CCEDRM
C=CCN(C)C(=O)C(=O)NC[C@@H](CC(C)C)C(=O)[O-]	ZINC000424493809	330357375	/nfs/dbraw/zinc/35/73/75/330357375.db2.gz	OUQTXEVWVSVFNE-SNVBAGLBSA-N	-1	0	270.329	0.494	20	30		CCEDRM
C=CCC[C@@H](CO)NC(=O)N=c1cc(C)c(C)n[n-]1	ZINC000454805755	331153990	/nfs/dbraw/zinc/15/39/90/331153990.db2.gz	PZAJMSLEIMBGTA-NSHDSACASA-N	-1	0	264.329	0.964	20	30		CCEDRM
C=CCOC[C@H](NC(=O)COc1cccc(F)c1)C(=O)[O-]	ZINC000455879362	331179441	/nfs/dbraw/zinc/17/94/41/331179441.db2.gz	QBIDXSMEDJETSR-LBPRGKRZSA-N	-1	0	297.282	0.977	20	30		CCEDRM
C#CCN(Cc1ccc(F)cc1)C(=O)c1cc(=O)[nH][n-]1	ZINC000490635359	332098263	/nfs/dbraw/zinc/09/82/63/332098263.db2.gz	GQZODGSARGHREY-UHFFFAOYSA-N	-1	0	273.267	0.663	20	30		CCEDRM
C#CCN(C)C(=O)N=c1[n-]nc(CCC(=O)OC)s1	ZINC000491044576	332142385	/nfs/dbraw/zinc/14/23/85/332142385.db2.gz	HWVZNPYUNQBFGK-UHFFFAOYSA-N	-1	0	282.325	0.163	20	30		CCEDRM
C#C[C@@H]1COCCN1C(=O)N=c1ccc(OC(C)C)n[n-]1	ZINC000491475233	332218574	/nfs/dbraw/zinc/21/85/74/332218574.db2.gz	UZMIYRFCQRGFIN-LLVKDONJSA-N	-1	0	290.323	0.552	20	30		CCEDRM
C#C[C@H]1COCCN1C(=O)N=c1[n-]nc(C)s1	ZINC000491627849	332251177	/nfs/dbraw/zinc/25/11/77/332251177.db2.gz	MTRSJIJELSFKJG-QMMMGPOBSA-N	-1	0	252.299	0.134	20	30		CCEDRM
C#C[C@H]1COCCN1C(=O)N=c1ccc(C2CC2)n[n-]1	ZINC000491632720	332254661	/nfs/dbraw/zinc/25/46/61/332254661.db2.gz	SHZUVHSKVPUQLI-NSHDSACASA-N	-1	0	272.308	0.642	20	30		CCEDRM
C#C[C@H]1COCCN1C(=O)c1ccc(-c2nc(=O)o[n-]2)cc1	ZINC000491655719	332267782	/nfs/dbraw/zinc/26/77/82/332267782.db2.gz	HFIFUGQXICJWSR-LBPRGKRZSA-N	-1	0	299.286	0.504	20	30		CCEDRM
C#C[C@@H](C)N(C)C(=O)C(=O)N=c1nc(C(C)(C)C)[n-]s1	ZINC000491752671	332328307	/nfs/dbraw/zinc/32/83/07/332328307.db2.gz	YZTAFSMVBXLRMU-MRVPVSSYSA-N	-1	0	294.380	0.676	20	30		CCEDRM
C#CCCS(=O)(=O)[N-]C(=O)/C=C/c1cscn1	ZINC000493180933	332429512	/nfs/dbraw/zinc/42/95/12/332429512.db2.gz	BLPJEAKBOARIBB-SNAWJCMRSA-N	-1	0	270.335	0.626	20	30		CCEDRM
C#CCO[N-]C(=O)CNC(=O)OCc1ccccc1	ZINC000496810897	332560994	/nfs/dbraw/zinc/56/09/94/332560994.db2.gz	RXVORWSSHCOPBZ-UHFFFAOYSA-N	-1	0	262.265	0.594	20	30		CCEDRM
N#CCCCCNC(=O)c1c[nH]c2nc(=O)[n-]c(=O)c-2c1	ZINC000505519864	332742776	/nfs/dbraw/zinc/74/27/76/332742776.db2.gz	MSRIVEITJXYXMQ-UHFFFAOYSA-N	-1	0	287.279	0.860	20	30		CCEDRM
C#CC[N-]S(=O)(=O)c1ccc(Br)o1	ZINC000306483966	333007021	/nfs/dbraw/zinc/00/70/21/333007021.db2.gz	FSNGLXIVSOPAKD-UHFFFAOYSA-N	-1	0	264.100	0.954	20	30		CCEDRM
C=CCC[C@H](NS(=O)(=O)N1CCC[C@@H]1C)C(=O)[O-]	ZINC000575927307	335132305	/nfs/dbraw/zinc/13/23/05/335132305.db2.gz	AUXVOXABKHGJFI-UWVGGRQHSA-N	-1	0	276.358	0.725	20	30		CCEDRM
C=CCNC(=O)NC(=O)CN1CCC[C@H](C)[C@@H]1C(=O)[O-]	ZINC000235594132	333371217	/nfs/dbraw/zinc/37/12/17/333371217.db2.gz	MATYUBKRPLQLQE-GXSJLCMTSA-N	-1	0	283.328	0.183	20	30		CCEDRM
C=CCC[C@H](NC(=O)NCCCn1ccnn1)C(=O)[O-]	ZINC000315929209	333384646	/nfs/dbraw/zinc/38/46/46/333384646.db2.gz	QREPVGOXDQPFSL-JTQLQIEISA-N	-1	0	281.316	0.387	20	30		CCEDRM
CC#CC[C@H](NC(=O)N1CCC(OC)CC1)C(=O)[O-]	ZINC000543788858	333898905	/nfs/dbraw/zinc/89/89/05/333898905.db2.gz	SXLOEJJYGKRCHF-NSHDSACASA-N	-1	0	268.313	0.673	20	30		CCEDRM
CN(CCC#N)S(=O)(=O)Nc1cccc(C(=O)[O-])c1	ZINC000547883937	334128803	/nfs/dbraw/zinc/12/88/03/334128803.db2.gz	ZIGSJMLVTHZIKU-UHFFFAOYSA-N	-1	0	283.309	0.887	20	30		CCEDRM
CCN([C@@H](C(=O)[O-])C(C)C)S(=O)(=O)N(C)CCC#N	ZINC000548560557	334162624	/nfs/dbraw/zinc/16/26/24/334162624.db2.gz	YHIOZZUPJAONDH-SNVBAGLBSA-N	-1	0	291.373	0.508	20	30		CCEDRM
C=CCCS(=O)(=O)N[C@H](C(=O)[O-])[C@H](C)C1CC1	ZINC000548867642	334177652	/nfs/dbraw/zinc/17/76/52/334177652.db2.gz	QVBOJWNIMCPZKI-SCZZXKLOSA-N	-1	0	261.343	0.981	20	30		CCEDRM
N#CCCCS(=O)(=O)N[C@@H](CC(=O)[O-])c1ccncc1	ZINC000580581478	335290830	/nfs/dbraw/zinc/29/08/30/335290830.db2.gz	LHYDJUIZEBFDBZ-NSHDSACASA-N	-1	0	297.336	0.821	20	30		CCEDRM
C=CCn1c([C@H]2COCCO2)n[n-]c1=Nc1cnn(C)c1	ZINC000577285209	335335681	/nfs/dbraw/zinc/33/56/81/335335681.db2.gz	JYADEAIXDNOZFW-LLVKDONJSA-N	-1	0	290.327	0.451	20	30		CCEDRM
CC[C@@H](NC(=O)C(=O)Nc1cccc(C)c1C#N)C(=O)[O-]	ZINC000578518710	335643985	/nfs/dbraw/zinc/64/39/85/335643985.db2.gz	ATADGGZZMYFVRF-SNVBAGLBSA-N	-1	0	289.291	0.785	20	30		CCEDRM
C[C@@H]1C[C@]1(C#N)C(=O)N1CCC[C@@H](c2n[nH]c(=O)[n-]2)C1	ZINC000579235044	335725001	/nfs/dbraw/zinc/72/50/01/335725001.db2.gz	VSKNLCWLBNDREB-JRKPZEMJSA-N	-1	0	275.312	0.766	20	30		CCEDRM
CC(C)Oc1ccc(=NC(=O)NC[C@H](C)C#N)[n-]n1	ZINC000579427096	335747643	/nfs/dbraw/zinc/74/76/43/335747643.db2.gz	PJTPGJQCLKZEGD-SECBINFHSA-N	-1	0	263.301	0.967	20	30		CCEDRM
C=C[C@H](CCC(=O)[O-])NS(=O)(=O)C[C@H]1CCCO1	ZINC000579562008	335802700	/nfs/dbraw/zinc/80/27/00/335802700.db2.gz	WSCHFZFXLRUOBD-NXEZZACHSA-N	-1	0	277.342	0.504	20	30		CCEDRM
CC(C)[C@H](CNS(=O)(=O)N(C)[C@H](C)CC#N)C(=O)[O-]	ZINC000581194406	336022765	/nfs/dbraw/zinc/02/27/65/336022765.db2.gz	BOCMITVXVOASLK-ZJUUUORDSA-N	-1	0	291.373	0.412	20	30		CCEDRM
C[C@H](C(=O)[O-])C1CN(S(=O)(=O)c2cncc(C#N)c2)C1	ZINC000380877679	336038042	/nfs/dbraw/zinc/03/80/42/336038042.db2.gz	SUGZOVRXAZKMHN-QMMMGPOBSA-N	-1	0	295.320	0.294	20	30		CCEDRM
C=C[C@@H](CCC(=O)[O-])NS(=O)(=O)c1cncc(C#N)c1	ZINC000581473188	336085639	/nfs/dbraw/zinc/08/56/39/336085639.db2.gz	OPIRPTAUGSPYTI-JTQLQIEISA-N	-1	0	295.320	0.651	20	30		CCEDRM
CC(C)(C)OC(=O)CCCn1c(=O)[n-]cc(C#N)c1=O	ZINC000581943516	336174160	/nfs/dbraw/zinc/17/41/60/336174160.db2.gz	KPHWFDXOIBQZTI-UHFFFAOYSA-N	-1	0	279.296	0.530	20	30		CCEDRM
C[C@H](C#N)CN(C)S(=O)(=O)N1CC[C@H](C)[C@H]1C(=O)[O-]	ZINC000582006260	336189846	/nfs/dbraw/zinc/18/98/46/336189846.db2.gz	FBOQSAFCHSYOOB-UTLUCORTSA-N	-1	0	289.357	0.118	20	30		CCEDRM
C[C@H](C#N)CN(C)S(=O)(=O)N1CC[C@@H](C)[C@@H]1C(=O)[O-]	ZINC000582006259	336189852	/nfs/dbraw/zinc/18/98/52/336189852.db2.gz	FBOQSAFCHSYOOB-OPRDCNLKSA-N	-1	0	289.357	0.118	20	30		CCEDRM
N#Cc1ccccc1OCC(=O)NCc1n[nH]c(=O)[n-]1	ZINC000358351526	534819006	/nfs/dbraw/zinc/81/90/06/534819006.db2.gz	FXYHLJRMSQRVRA-UHFFFAOYSA-N	-1	0	273.252	0.077	20	30		CCEDRM
C=CCN1C(=O)c2ccc(C(=O)NCC(=O)[O-])cc2C1=O	ZINC000345216683	526409410	/nfs/dbraw/zinc/40/94/10/526409410.db2.gz	WGGJSCQKTOOZDT-UHFFFAOYSA-N	-1	0	288.259	0.283	20	30		CCEDRM
N#Cc1ccc(OCC(=O)N[C@@H](C(=O)[O-])C2CC2)cc1	ZINC000054503362	526671814	/nfs/dbraw/zinc/67/18/14/526671814.db2.gz	DRGIVFFRWIWMBA-CYBMUJFWSA-N	-1	0	274.276	0.916	20	30		CCEDRM
C=CCCCCNC(=O)N=c1ncn(CC(=O)N(C)C)[n-]1	ZINC000352578192	527155051	/nfs/dbraw/zinc/15/50/51/527155051.db2.gz	XKRICYUBNJENKH-UHFFFAOYSA-N	-1	0	294.359	0.266	20	30		CCEDRM
C=CCOC[C@H](NC(=O)[C@@H](OC)[C@@H](C)CC)C(=O)[O-]	ZINC000668289986	545171408	/nfs/dbraw/zinc/17/14/08/545171408.db2.gz	IAECUQOLXNSVSR-DCAQKATOSA-N	-1	0	273.329	0.820	20	30		CCEDRM
C=C[C@H](CO)[N-]S(=O)(=O)c1c(F)cc(C#N)cc1F	ZINC000349803822	527592289	/nfs/dbraw/zinc/59/22/89/527592289.db2.gz	SZMFNABLNDQLNZ-MRVPVSSYSA-N	-1	0	288.275	0.662	20	30		CCEDRM
Cc1nn(C)cc1S(=O)(=O)[N-]c1nn(C)cc1C#N	ZINC000340947294	527695020	/nfs/dbraw/zinc/69/50/20/527695020.db2.gz	GTWJGCXDPOKDDP-UHFFFAOYSA-N	-1	0	280.313	0.135	20	30		CCEDRM
C=CC[C@@H](NS(=O)(=O)c1cccc2c1OCO2)C(=O)[O-]	ZINC000669837627	545222126	/nfs/dbraw/zinc/22/21/26/545222126.db2.gz	DQDVHJLQDUDSMS-MRVPVSSYSA-N	-1	0	299.304	0.723	20	30		CCEDRM
COC[C@@H](C)[C@H](C)C(=O)N=c1[n-]n(C)cc1C#N	ZINC000361919762	536579079	/nfs/dbraw/zinc/57/90/79/536579079.db2.gz	NXGCATLNCFQKPQ-BDAKNGLRSA-N	-1	0	250.302	0.571	20	30		CCEDRM
C#C[C@@H](NS(=O)(=O)c1c[nH]c(C(=O)[O-])c1)C(C)C	ZINC000305964763	649891587	/nfs/dbraw/zinc/89/15/87/649891587.db2.gz	OYHGTYUADSAFBE-SECBINFHSA-N	-1	0	270.310	0.649	20	30		CCEDRM
N#Cc1ccc([C@H](O)C(=O)[N-]OC[C@@H]2CCOC2)cc1	ZINC000788573580	581116809	/nfs/dbraw/zinc/11/68/09/581116809.db2.gz	GLMRFIJYAMEQJF-YPMHNXCESA-N	-1	0	276.292	0.676	20	30		CCEDRM
CN(CC(=O)[O-])[C@@H]1CCN(c2ccc(C#N)cc2)C1=O	ZINC000737988293	581133573	/nfs/dbraw/zinc/13/35/73/581133573.db2.gz	JGRTZDZVKNWFLC-GFCCVEGCSA-N	-1	0	273.292	0.680	20	30		CCEDRM
O=C([O-])COc1ccc(C=NN2CCCNC2=O)cc1	ZINC000777903485	581138424	/nfs/dbraw/zinc/13/84/24/581138424.db2.gz	ZCNZJZHCPOKHIV-UHFFFAOYSA-N	-1	0	277.280	0.899	20	30		CCEDRM
COCCO[N-]C(=O)C(=O)Nc1cc(C#N)ccc1C	ZINC000789821758	581158195	/nfs/dbraw/zinc/15/81/95/581158195.db2.gz	IPUZAHGQSCJDGL-UHFFFAOYSA-N	-1	0	277.280	0.499	20	30		CCEDRM
N#CCN(CC(=O)[O-])C(=O)C[C@@H]1C(=O)Nc2ccccc21	ZINC000739078129	581172275	/nfs/dbraw/zinc/17/22/75/581172275.db2.gz	YEGZFIVIUMREBV-JTQLQIEISA-N	-1	0	287.275	0.549	20	30		CCEDRM
COC[C@@](C)([N-]S(=O)(=O)CC(C)(C)C#N)C(=O)OC	ZINC000790038283	581173065	/nfs/dbraw/zinc/17/30/65/581173065.db2.gz	RYTBCCHLNMJJKG-LLVKDONJSA-N	-1	0	292.357	0.034	20	30		CCEDRM
CNC(=O)C(C#N)=C([O-])c1cc2c(c([N+](=O)[O-])c1)OCO2	ZINC000779194855	581176588	/nfs/dbraw/zinc/17/65/88/581176588.db2.gz	PBRILVKHGPTGIX-SSDOTTSWSA-N	-1	0	291.219	0.392	20	30		CCEDRM
Cc1nnc(N=NC(C)CCn2cccn2)[n-]c1=O	ZINC000776760121	581185803	/nfs/dbraw/zinc/18/58/03/581185803.db2.gz	KGLAMTDOZWGERF-UHFFFAOYSA-N	-1	0	261.289	0.960	20	30		CCEDRM
C#CCCS(=O)(=O)[N-]C(=O)c1ccc(OC)cc1	ZINC000791110514	581207704	/nfs/dbraw/zinc/20/77/04/581207704.db2.gz	DRWZZAJAJUHIKB-UHFFFAOYSA-N	-1	0	267.306	0.778	20	30		CCEDRM
COc1cncc(C([O-])=C(C#N)C(=O)NC(C)C)n1	ZINC000791772629	581233253	/nfs/dbraw/zinc/23/32/53/581233253.db2.gz	DNZMLSGCMGQGGE-QMMMGPOBSA-N	-1	0	262.269	0.332	20	30		CCEDRM
Cc1ccc(C#N)cc1NC(=O)C(=O)NCCC(=O)[O-]	ZINC000738251916	581236349	/nfs/dbraw/zinc/23/63/49/581236349.db2.gz	XOGYLBZZUFGTHC-UHFFFAOYSA-N	-1	0	275.264	0.396	20	30		CCEDRM
COCCN(CC(=O)[O-])C(=O)CNc1ccc(C#N)cc1	ZINC000737770173	581276745	/nfs/dbraw/zinc/27/67/45/581276745.db2.gz	KOWKXAJSDOINLX-UHFFFAOYSA-N	-1	0	291.307	0.530	20	30		CCEDRM
CC[C@@H](NN=C1C(=O)Nc2cc(N(C)C)ccc21)C(=O)[O-]	ZINC000793071471	581283117	/nfs/dbraw/zinc/28/31/17/581283117.db2.gz	JMVVZQYFTGYAIU-SNVBAGLBSA-N	-1	0	290.323	0.862	20	30		CCEDRM
CC[C@H](NN=C1CCC[C@@H](S(C)(=O)=O)C1)C(=O)[O-]	ZINC000793073501	581283576	/nfs/dbraw/zinc/28/35/76/581283576.db2.gz	WLCWESJXFDFQSU-ZJUUUORDSA-N	-1	0	276.358	0.782	20	30		CCEDRM
Cc1ccc(C(=O)[N-]S(=O)(=O)CC2(C#N)CC2)c(=O)[nH]1	ZINC000793205647	581288496	/nfs/dbraw/zinc/28/84/96/581288496.db2.gz	YQNVCPSQEGFFBS-UHFFFAOYSA-N	-1	0	295.320	0.459	20	30		CCEDRM
C=CCCOCC(=O)[N-]S(=O)(=O)Cc1ccccn1	ZINC000793317047	581294565	/nfs/dbraw/zinc/29/45/65/581294565.db2.gz	LHUODTVDPJDLSN-UHFFFAOYSA-N	-1	0	284.337	0.620	20	30		CCEDRM
N#CC1(NC(=O)CN2CCO[C@@H](C(=O)[O-])C2)CCCCC1	ZINC000738421512	581315757	/nfs/dbraw/zinc/31/57/57/581315757.db2.gz	FFXPXCOHVMNCMX-LLVKDONJSA-N	-1	0	295.339	0.114	20	30		CCEDRM
Cc1cc(C(=O)[N-]S(=O)(=O)CC(C)(C)C#N)cc(=O)[nH]1	ZINC000782632418	581316108	/nfs/dbraw/zinc/31/61/08/581316108.db2.gz	ZSDDIFLCQIVXDN-UHFFFAOYSA-N	-1	0	297.336	0.705	20	30		CCEDRM
N#CC1(C(=O)N2CCC[C@H](CNC(=O)[O-])C2)CCOCC1	ZINC000740309072	581322864	/nfs/dbraw/zinc/32/28/64/581322864.db2.gz	DGXSQQKBODPHQE-LLVKDONJSA-N	-1	0	295.339	0.813	20	30		CCEDRM
N#C[C@@H]1CN(C(=O)NC[C@H]2CCCN2C(=O)[O-])CCO1	ZINC000740306716	581322982	/nfs/dbraw/zinc/32/29/82/581322982.db2.gz	KGHTZPSUPYDAPP-NXEZZACHSA-N	-1	0	282.300	0.063	20	30		CCEDRM
C#CCN(CC#CC)C(=O)CC(C)(C)NC(=O)[O-]	ZINC000738457288	581331495	/nfs/dbraw/zinc/33/14/95/581331495.db2.gz	MHZCLASCCXFTJA-UHFFFAOYSA-N	-1	0	250.298	0.908	20	30		CCEDRM
C=CCNC(=O)NC(=O)[C@@H](C)N1CCN(C(=O)[O-])[C@@H](C)C1	ZINC000738494325	581361657	/nfs/dbraw/zinc/36/16/57/581361657.db2.gz	AJZIAMBQPVAUSZ-VHSXEESVSA-N	-1	0	298.343	0.071	20	30		CCEDRM
COc1cc(C=NOCC(N)=O)ccc1OCCC(=O)[O-]	ZINC000783865190	581366402	/nfs/dbraw/zinc/36/64/02/581366402.db2.gz	WWHJAIUGEYWIFI-UHFFFAOYSA-N	-1	0	296.279	0.385	20	30		CCEDRM
C=C(C)[C@H]1OCC[C@H]1C(=O)[N-]S(=O)(=O)c1cnn(C)c1	ZINC000786283478	581436197	/nfs/dbraw/zinc/43/61/97/581436197.db2.gz	ZDOARPOWFQKEED-GHMZBOCLSA-N	-1	0	299.352	0.206	20	30		CCEDRM
CC(C)(C#N)CC(=O)[N-]S(=O)(=O)C[C@@H]1CCCCO1	ZINC000786383299	581439092	/nfs/dbraw/zinc/43/90/92/581439092.db2.gz	KOEFARMITZOCNI-JTQLQIEISA-N	-1	0	288.369	0.941	20	30		CCEDRM
COCCNC(=O)C(C#N)=C([O-])c1occ2c1CCC2	ZINC000796788624	581450514	/nfs/dbraw/zinc/45/05/14/581450514.db2.gz	KHGGRPPKLUIZMS-NSHDSACASA-N	-1	0	276.292	0.853	20	30		CCEDRM
CC[C@H](C)[C@@H](OC)C(=O)[N-]S(=O)(=O)CCCC#N	ZINC000796813110	581451247	/nfs/dbraw/zinc/45/12/47/581451247.db2.gz	UFSSFZDVGOXRRO-VHSXEESVSA-N	-1	0	276.358	0.797	20	30		CCEDRM
C=CCCO[C@H](C)C(=O)[N-]S(=O)(=O)c1cc[nH]n1	ZINC000796877533	581453256	/nfs/dbraw/zinc/45/32/56/581453256.db2.gz	WHYRRXCZVIBXBL-MRVPVSSYSA-N	-1	0	273.314	0.196	20	30		CCEDRM
N#Cc1ccc(C(=O)[N-]S(=O)(=O)c2cc[nH]n2)s1	ZINC000796881763	581453395	/nfs/dbraw/zinc/45/33/95/581453395.db2.gz	AUFTXTDZTZPABM-UHFFFAOYSA-N	-1	0	282.306	0.462	20	30		CCEDRM
N#Cc1csc(C(=O)[N-]S(=O)(=O)c2cc[nH]n2)c1	ZINC000796882546	581453734	/nfs/dbraw/zinc/45/37/34/581453734.db2.gz	GFXZJTYIQUHFFA-UHFFFAOYSA-N	-1	0	282.306	0.462	20	30		CCEDRM
C=CCC(C)(C)C(=O)[N-]S(=O)(=O)N(C)CCOC	ZINC000796965553	581456697	/nfs/dbraw/zinc/45/66/97/581456697.db2.gz	ZLLJXROLMFUMAA-UHFFFAOYSA-N	-1	0	278.374	0.528	20	30		CCEDRM
C=CCOCC(=O)[N-]S(=O)(=O)c1ccc2c(c1)CCO2	ZINC000797248665	581462772	/nfs/dbraw/zinc/46/27/72/581462772.db2.gz	ADUNCTIYNAPFPU-UHFFFAOYSA-N	-1	0	297.332	0.629	20	30		CCEDRM
C[C@H]1CN(C(=O)C2(C#N)CCOCC2)CC[C@@H]1NC(=O)[O-]	ZINC000739118088	581507497	/nfs/dbraw/zinc/50/74/97/581507497.db2.gz	CEPDVIUNVXFVQB-QWRGUYRKSA-N	-1	0	295.339	0.811	20	30		CCEDRM
N#Cc1ccc(CNC(=O)CN2CCC[C@@H]2C(=O)[O-])cc1	ZINC000739118708	581508023	/nfs/dbraw/zinc/50/80/23/581508023.db2.gz	WBIGIYMEISLYJS-CYBMUJFWSA-N	-1	0	287.319	0.723	20	30		CCEDRM
C[C@H]1OC(C)(C)N(C(=O)[O-])[C@@H]1C(=O)N(C)CCC#N	ZINC000739196151	581521516	/nfs/dbraw/zinc/52/15/16/581521516.db2.gz	DPVHHTALJZXARE-BDAKNGLRSA-N	-1	0	269.301	0.862	20	30		CCEDRM
COCCNC(=O)C(C#N)=C([O-])c1cncc(COC)c1	ZINC000765586692	581526953	/nfs/dbraw/zinc/52/69/53/581526953.db2.gz	JPKHYLYOITYFCS-LBPRGKRZSA-N	-1	0	291.307	0.313	20	30		CCEDRM
CCn1cc(C([O-])=C(C#N)C(=O)NCCCOC)cn1	ZINC000734079146	581542772	/nfs/dbraw/zinc/54/27/72/581542772.db2.gz	LCGPNSPKBLDZKS-NSHDSACASA-N	-1	0	278.312	0.378	20	30		CCEDRM
CCN(CCNC(=O)NC1CCN(CC#N)CC1)C(=O)[O-]	ZINC000739429754	581551786	/nfs/dbraw/zinc/55/17/86/581551786.db2.gz	AONHWEUYIAOPSH-UHFFFAOYSA-N	-1	0	297.359	0.273	20	30		CCEDRM
COc1ccccc1OCCC(=O)N(CC#N)CC(=O)[O-]	ZINC000738137224	581570030	/nfs/dbraw/zinc/57/00/30/581570030.db2.gz	XKCULDHJDSHLLF-UHFFFAOYSA-N	-1	0	292.291	0.901	20	30		CCEDRM
C=CC[C@@H](NC(=O)c1n[nH]c(=O)[n-]1)c1ccncc1	ZINC000734554379	581572677	/nfs/dbraw/zinc/57/26/77/581572677.db2.gz	BEVYXMYHYURVGX-SECBINFHSA-N	-1	0	259.269	0.953	20	30		CCEDRM
Cn1c(=O)[nH]cc(C(=O)Nc2cc(C#N)ccc2[O-])c1=O	ZINC000754430449	581591393	/nfs/dbraw/zinc/59/13/93/581591393.db2.gz	GPIRTJAULUWBJR-UHFFFAOYSA-N	-1	0	286.247	0.315	20	30		CCEDRM
CN(CC(=O)[C@@H](C#N)C(=O)Nc1ccccn1)C(=O)[O-]	ZINC000739617368	581616472	/nfs/dbraw/zinc/61/64/72/581616472.db2.gz	PMKDNAIHRAJMBM-MRVPVSSYSA-N	-1	0	276.252	0.339	20	30		CCEDRM
O=C([O-])Cn1cc(S(=O)(=O)OCC(F)(F)F)cn1	ZINC000739911564	581633845	/nfs/dbraw/zinc/63/38/45/581633845.db2.gz	CMGQDHSFWOYESM-UHFFFAOYSA-N	-1	0	288.203	0.235	20	30		CCEDRM
C=C(C)C[C@@H](C)C(=O)[N-]S(=O)(=O)[C@H]1CCOC1	ZINC000767991386	581640138	/nfs/dbraw/zinc/64/01/38/581640138.db2.gz	SDQKIPZQLGJTSR-ZJUUUORDSA-N	-1	0	261.343	0.824	20	30		CCEDRM
CC#CCS(=O)(=O)[N-]C(=O)C1(CCOC)CC1	ZINC000788070065	581643218	/nfs/dbraw/zinc/64/32/18/581643218.db2.gz	HNVMRDUKZZIBMX-UHFFFAOYSA-N	-1	0	259.327	0.272	20	30		CCEDRM
CNC(=O)C(C#N)=C([O-])c1ccc(C(=O)OC)c(F)c1	ZINC000768765124	581655010	/nfs/dbraw/zinc/65/50/10/581655010.db2.gz	JMDLAXXBWPSRNH-VIFPVBQESA-N	-1	0	278.239	0.681	20	30		CCEDRM
C#CCCS(=O)(=O)[N-]C(=O)[C@@H]1CCO[C@@H](C)C1	ZINC000788072591	581657355	/nfs/dbraw/zinc/65/73/55/581657355.db2.gz	WKYZTYMCULOHKT-VHSXEESVSA-N	-1	0	259.327	0.271	20	30		CCEDRM
C#CCCS(=O)(=O)[N-]C(=O)c1oc(C)nc1C	ZINC000788073001	581658406	/nfs/dbraw/zinc/65/84/06/581658406.db2.gz	ZHFXAAPVHWRAQS-UHFFFAOYSA-N	-1	0	256.283	0.374	20	30		CCEDRM
N#C[C@H](C(=O)CSCC(=O)[O-])C(=O)NC1CCCCC1	ZINC000740303898	581661883	/nfs/dbraw/zinc/66/18/83/581661883.db2.gz	NJPFVKKPBLSFIW-SNVBAGLBSA-N	-1	0	298.364	0.962	20	30		CCEDRM
N#CCNC(=O)[C@@H]1C[C@H]2CCCC[C@H]2N1C(=O)[O-]	ZINC000740305907	581663013	/nfs/dbraw/zinc/66/30/13/581663013.db2.gz	WWCKBOYMBMBMSZ-BBBLOLIVSA-N	-1	0	251.286	0.937	20	30		CCEDRM
N#CCNC(=O)CN1CCN(C(=O)[O-])Cc2ccccc21	ZINC000740305659	581663037	/nfs/dbraw/zinc/66/30/37/581663037.db2.gz	RNGFNBYVDSPQKR-UHFFFAOYSA-N	-1	0	288.307	0.626	20	30		CCEDRM
N#CCCn1ccc(NC(=O)[C@@H]2CCN(C(=O)[O-])C2)n1	ZINC000740308956	581663427	/nfs/dbraw/zinc/66/34/27/581663427.db2.gz	RZMZVAGWIRKYQG-SECBINFHSA-N	-1	0	277.284	0.735	20	30		CCEDRM
N#C[C@H]1CN(C(=O)CCCCCCNC(=O)[O-])CCO1	ZINC000740310723	581663796	/nfs/dbraw/zinc/66/37/96/581663796.db2.gz	WLABYSNLXDAQLZ-NSHDSACASA-N	-1	0	283.328	0.955	20	30		CCEDRM
N#Cc1ccc(C(=O)N[C@H](CNC(=O)[O-])C2CC2)nc1	ZINC000740313461	581664395	/nfs/dbraw/zinc/66/43/95/581664395.db2.gz	MVRHYBYRZYHOIF-LLVKDONJSA-N	-1	0	274.280	0.729	20	30		CCEDRM
N#Cc1cc([N+](=O)[O-])cnc1N1CC[C@H](NC(=O)[O-])C1	ZINC000740314342	581664507	/nfs/dbraw/zinc/66/45/07/581664507.db2.gz	VALVHONVXBFFPH-QMMMGPOBSA-N	-1	0	277.240	0.708	20	30		CCEDRM
N#Cc1ccc(NC(=O)CN2CC[C@@H](NC(=O)[O-])C2)cc1	ZINC000740314888	581664598	/nfs/dbraw/zinc/66/45/98/581664598.db2.gz	DFFMNAZQYJMNAC-GFCCVEGCSA-N	-1	0	288.307	0.839	20	30		CCEDRM
N#Cc1cc([N+](=O)[O-])cnc1NCCCNC(=O)[O-]	ZINC000740312985	581664753	/nfs/dbraw/zinc/66/47/53/581664753.db2.gz	HJDRDBBRDPJQLH-UHFFFAOYSA-N	-1	0	265.229	0.931	20	30		CCEDRM
N#Cc1cccc(NC(=O)CN2CC[C@@H](NC(=O)[O-])C2)c1	ZINC000740323712	581665724	/nfs/dbraw/zinc/66/57/24/581665724.db2.gz	TVPTXZPXQCEMNC-GFCCVEGCSA-N	-1	0	288.307	0.839	20	30		CCEDRM
N#Cc1nccnc1N1CCC(CNC(=O)[O-])CC1	ZINC000740323892	581665874	/nfs/dbraw/zinc/66/58/74/581665874.db2.gz	LIGQZXWAXQPKTP-UHFFFAOYSA-N	-1	0	261.285	0.832	20	30		CCEDRM
N#Cc1cccc(S(=O)(=O)N2CC[C@H](NC(=O)[O-])C2)c1	ZINC000740323088	581665883	/nfs/dbraw/zinc/66/58/83/581665883.db2.gz	LVPYPBZEAIETPO-JTQLQIEISA-N	-1	0	295.320	0.589	20	30		CCEDRM
C#CCNC(=O)[C@H](C)SCc1noc(CCC(=O)[O-])n1	ZINC000736078645	581686113	/nfs/dbraw/zinc/68/61/13/581686113.db2.gz	CVWDCENVQKSCMY-QMMMGPOBSA-N	-1	0	297.336	0.458	20	30		CCEDRM
C#CCN1CCC[C@H]1C(=O)N[C@H]1CCCN(C(=O)[O-])C1	ZINC000736080263	581688154	/nfs/dbraw/zinc/68/81/54/581688154.db2.gz	RMFMONLAZOTYGU-RYUDHWBXSA-N	-1	0	279.340	0.343	20	30		CCEDRM
C#CCN(Cc1ccoc1C(=O)[O-])[C@H]1CCS(=O)(=O)C1	ZINC000736080300	581688158	/nfs/dbraw/zinc/68/81/58/581688158.db2.gz	SIRCHJCUKFDRKZ-NSHDSACASA-N	-1	0	297.332	0.600	20	30		CCEDRM
CNC(=O)C(C#N)=C([O-])c1ccnc(-n2cccn2)c1	ZINC000740534021	581692928	/nfs/dbraw/zinc/69/29/28/581692928.db2.gz	BCXUWLLRINTQOK-SNVBAGLBSA-N	-1	0	269.264	0.336	20	30		CCEDRM
C#Cc1ccc(C(=O)Nc2n[nH]c(CC(=O)[O-])n2)nc1	ZINC000736092996	581701046	/nfs/dbraw/zinc/70/10/46/581701046.db2.gz	PBUUKQQFWAPGQL-UHFFFAOYSA-N	-1	0	271.236	0.060	20	30		CCEDRM
C=C(C)CN(CC)C(=O)Cn1cnc(C(=O)[O-])n1	ZINC000736095089	581702029	/nfs/dbraw/zinc/70/20/29/581702029.db2.gz	IJVSOUFQNVSVDW-UHFFFAOYSA-N	-1	0	252.274	0.401	20	30		CCEDRM
C=CCn1c(C)nn(CN2CCO[C@H](C(=O)[O-])C2)c1=S	ZINC000736118553	581703557	/nfs/dbraw/zinc/70/35/57/581703557.db2.gz	VWUYYAORYKEGIA-JTQLQIEISA-N	-1	0	298.368	0.651	20	30		CCEDRM
O=C([O-])COc1cccc(C=NN2C(=O)CNC2=O)c1	ZINC000770606789	581755855	/nfs/dbraw/zinc/75/58/55/581755855.db2.gz	FIPNDAGAGQSPRZ-UHFFFAOYSA-N	-1	0	277.236	0.036	20	30		CCEDRM
CC(C)C[C@H](NC(=O)[O-])C(=O)N1CCN(CC#N)CC1	ZINC000736422085	581764481	/nfs/dbraw/zinc/76/44/81/581764481.db2.gz	ORBWOGXUGGPZKS-NSHDSACASA-N	-1	0	282.344	0.336	20	30		CCEDRM
NC(=O)CON=Cc1ccc(OCCC(=O)[O-])cc1	ZINC000771578960	581786739	/nfs/dbraw/zinc/78/67/39/581786739.db2.gz	VTFINKKOJGLDIZ-UHFFFAOYSA-N	-1	0	266.253	0.376	20	30		CCEDRM
CCc1nn(C)cc1C([O-])=C(C#N)C(=O)NC(C)C	ZINC000771262047	581797856	/nfs/dbraw/zinc/79/78/56/581797856.db2.gz	UPDJSGJHOZVIEL-VIFPVBQESA-N	-1	0	262.313	0.830	20	30		CCEDRM
CN(CC(=O)C(C#N)=C([O-])c1nccn1C)C(=O)C1CC1	ZINC000759460332	581799801	/nfs/dbraw/zinc/79/98/01/581799801.db2.gz	ZBKASSURJRHLJJ-SNVBAGLBSA-N	-1	0	288.307	0.180	20	30		CCEDRM
N#Cc1ccc([O-])c(NC(=O)[C@H]2CCCN(C(N)=O)C2)c1	ZINC000759714365	581817327	/nfs/dbraw/zinc/81/73/27/581817327.db2.gz	YGQRMNHAPWZKKJ-JTQLQIEISA-N	-1	0	288.307	0.993	20	30		CCEDRM
C[C@@H](Oc1ccc(C#N)cc1)C(=O)N(CC#N)CC(=O)[O-]	ZINC000736700361	581820994	/nfs/dbraw/zinc/82/09/94/581820994.db2.gz	JVNUHTKAANAECE-SNVBAGLBSA-N	-1	0	287.275	0.762	20	30		CCEDRM
Cc1c(C([O-])=C(C#N)C(=O)NC2CCCCC2)nnn1C	ZINC000744028352	581830336	/nfs/dbraw/zinc/83/03/36/581830336.db2.gz	GYTQICGXDTVHFG-NSHDSACASA-N	-1	0	289.339	0.895	20	30		CCEDRM
CCS(=O)(=O)[N-]C(=O)CCc1ccc(C#N)cc1	ZINC000732604625	581835719	/nfs/dbraw/zinc/83/57/19/581835719.db2.gz	JPGQXDFUPUFIJP-UHFFFAOYSA-N	-1	0	266.322	0.957	20	30		CCEDRM
C[C@H](C#N)CNC(=O)C(C)(C)[N-]C(=O)C(F)(F)F	ZINC000760313666	581854304	/nfs/dbraw/zinc/85/43/04/581854304.db2.gz	BUNMMNMLVWQSDM-ZCFIWIBFSA-N	-1	0	265.235	0.719	20	30		CCEDRM
CC(C)[C@@](C)(C#N)NC(=O)CN1CC[C@@H](CNC(=O)[O-])C1	ZINC000738761636	581856096	/nfs/dbraw/zinc/85/60/96/581856096.db2.gz	AHXFSCMSDHJQCK-SMDDNHRTSA-N	-1	0	296.371	0.630	20	30		CCEDRM
CCOCC(=O)[N-]S(=O)(=O)CC1(C#N)CCCCC1	ZINC000760400759	581857676	/nfs/dbraw/zinc/85/76/76/581857676.db2.gz	OIURHGFGRQKPEO-UHFFFAOYSA-N	-1	0	288.369	0.943	20	30		CCEDRM
CC#CCCNC(=O)C(C)(C)[N-]C(=O)C(F)(F)F	ZINC000760495156	581861894	/nfs/dbraw/zinc/86/18/94/581861894.db2.gz	BUVSJFPUROTGHE-UHFFFAOYSA-N	-1	0	264.247	0.973	20	30		CCEDRM
CC[C@@H](C)[C@H](NC(=O)CN(CC)CC#N)C(=O)[O-]	ZINC000736880688	581863667	/nfs/dbraw/zinc/86/36/67/581863667.db2.gz	ZFBRBGUCYIEAPL-KOLCDFICSA-N	-1	0	255.318	0.447	20	30		CCEDRM
C#CCCNC(=O)Cn1c(=O)c2ccccc2[n-]c1=S	ZINC000746688867	581922094	/nfs/dbraw/zinc/92/20/94/581922094.db2.gz	CEZFOMCSAZCNHG-UHFFFAOYSA-N	-1	0	287.344	0.825	20	30		CCEDRM
CN(CC#N)CC(=O)NC1(C(=O)[O-])CCCCC1	ZINC000737388298	581951121	/nfs/dbraw/zinc/95/11/21/581951121.db2.gz	WGHGXKKNHLHELC-UHFFFAOYSA-N	-1	0	253.302	0.345	20	30		CCEDRM
COCCNC(=O)C(C#N)=C([O-])c1nccs1	ZINC000774042186	581954804	/nfs/dbraw/zinc/95/48/04/581954804.db2.gz	DNXJELHPYBELNY-SSDOTTSWSA-N	-1	0	253.283	0.228	20	30		CCEDRM
Cn1cc([C@H](O)C(=O)Nc2cc(C#N)ccc2[O-])cn1	ZINC000774079458	581957279	/nfs/dbraw/zinc/95/72/79/581957279.db2.gz	BJYXPSYFPRNVSC-LBPRGKRZSA-N	-1	0	272.264	0.669	20	30		CCEDRM
O=[N+]([O-])c1ccc(C=NN[C@H]2CCS(=O)(=O)C2)cc1[O-]	ZINC000748134973	581963333	/nfs/dbraw/zinc/96/33/33/581963333.db2.gz	ZXVBNDKOVPIDBQ-VIFPVBQESA-N	-1	0	299.308	0.411	20	30		CCEDRM
N#Cc1cccc(OCC(=O)[N-]S(=O)(=O)C2CCC2)c1	ZINC000774293343	581968954	/nfs/dbraw/zinc/96/89/54/581968954.db2.gz	MUURIGMXWHAMTG-UHFFFAOYSA-N	-1	0	294.332	0.936	20	30		CCEDRM
CNC(=S)NN=C1C(=O)Nc2c1cc([N+](=O)[O-])cc2F	ZINC000774310624	581969860	/nfs/dbraw/zinc/96/98/60/581969860.db2.gz	QHUQOUYVQQYFSY-UHFFFAOYSA-N	-1	0	297.271	0.484	20	30		CCEDRM
C=CCOCC(=O)NCc1nc(C(=O)[O-])cs1	ZINC000737533362	581974394	/nfs/dbraw/zinc/97/43/94/581974394.db2.gz	XLPVDUGRBVSUHN-UHFFFAOYSA-N	-1	0	256.283	0.660	20	30		CCEDRM
CNc1cc(C(=O)N(CC#N)CC(=O)[O-])cc(Cl)n1	ZINC000737556990	581978952	/nfs/dbraw/zinc/97/89/52/581978952.db2.gz	FTWUUGREIDZFTA-UHFFFAOYSA-N	-1	0	282.687	0.827	20	30		CCEDRM
C[C@](C#N)(NC(=O)CN1CCCC[C@@H]1C(=O)[O-])C1CC1	ZINC000737560038	581979639	/nfs/dbraw/zinc/97/96/39/581979639.db2.gz	PPTTXVGHIDUILG-BXUZGUMPSA-N	-1	0	279.340	0.734	20	30		CCEDRM
CNc1ccc(C(=O)N(CC#N)CC(=O)[O-])cc1[N+](=O)[O-]	ZINC000737561555	581980395	/nfs/dbraw/zinc/98/03/95/581980395.db2.gz	HBLYDXYLFIHAOZ-UHFFFAOYSA-N	-1	0	292.251	0.687	20	30		CCEDRM
COc1cc(C#N)ccc1OCCn1cnc(C(=O)[O-])n1	ZINC000737843994	582003273	/nfs/dbraw/zinc/00/32/73/582003273.db2.gz	DXLORELKKCXZLH-UHFFFAOYSA-N	-1	0	288.263	0.936	20	30		CCEDRM
N#Cc1ccsc1C(=O)OCc1n[nH]c(=O)[n-]1	ZINC000774936753	582003508	/nfs/dbraw/zinc/00/35/08/582003508.db2.gz	YSHKITGYPYTOGO-UHFFFAOYSA-N	-1	0	250.239	0.800	20	30		CCEDRM
CC(C)S(=O)(=O)NN=Cc1ccc([N+](=O)[O-])c([O-])c1	ZINC000749748100	582021120	/nfs/dbraw/zinc/02/11/20/582021120.db2.gz	WQTBBURVHGLQPV-UHFFFAOYSA-N	-1	0	287.297	0.962	20	30		CCEDRM
N#CC(C(=O)N1CCCC1)=C([O-])c1cc2n(n1)CCCO2	ZINC000763928474	582021330	/nfs/dbraw/zinc/02/13/30/582021330.db2.gz	DCNXDFVBGIMWOD-SNVBAGLBSA-N	-1	0	288.307	0.610	20	30		CCEDRM
CO[C@H](C)CS(=O)(=O)[N-]C(=O)c1ccc(C#N)s1	ZINC000764206141	582036738	/nfs/dbraw/zinc/03/67/38/582036738.db2.gz	DQTCSQKNIGHAJT-SSDOTTSWSA-N	-1	0	288.350	0.714	20	30		CCEDRM
N#CC1(C(=O)N2CCC[C@@H](NC(=O)[O-])C2)CCC1	ZINC000738421532	582047710	/nfs/dbraw/zinc/04/77/10/582047710.db2.gz	FMTAUNGQTTXDTI-SECBINFHSA-N	-1	0	251.286	0.939	20	30		CCEDRM
N#C[C@@H](NC(=O)C1CCN(C(=O)[O-])CC1)C1CC1	ZINC000738421477	582047899	/nfs/dbraw/zinc/04/78/99/582047899.db2.gz	DVSMSXQGZXXIFS-SNVBAGLBSA-N	-1	0	251.286	0.795	20	30		CCEDRM
N#CCCCS(=O)(=O)[N-]C(=O)[C@H]1CC12CCC2	ZINC000776116867	582052218	/nfs/dbraw/zinc/05/22/18/582052218.db2.gz	BKDYZIGOHJEVAH-SECBINFHSA-N	-1	0	256.327	0.926	20	30		CCEDRM
CCO[C@H](C)C(=O)[N-]S(=O)(=O)CC(C)(C)C#N	ZINC000776145980	582054631	/nfs/dbraw/zinc/05/46/31/582054631.db2.gz	JFCQXVTWRFQXAY-MRVPVSSYSA-N	-1	0	262.331	0.407	20	30		CCEDRM
C=CCOCC(=O)N[C@@](C)(CNC(=O)[O-])C(C)C	ZINC000738491664	582055820	/nfs/dbraw/zinc/05/58/20/582055820.db2.gz	NRNMSTIAKHDSQG-LBPRGKRZSA-N	-1	0	258.318	0.988	20	30		CCEDRM
COCCNC(=O)C(C#N)=C([O-])c1ccc(C#N)s1	ZINC000750684846	582056238	/nfs/dbraw/zinc/05/62/38/582056238.db2.gz	WZBOGYPVPJZQLR-SECBINFHSA-N	-1	0	277.305	0.705	20	30		CCEDRM
CN1C(=O)CN([N-]C(=O)c2ncc(C#N)cc2Cl)C1=O	ZINC000776241727	582064041	/nfs/dbraw/zinc/06/40/41/582064041.db2.gz	BRUORNLVZLCAEL-UHFFFAOYSA-N	-1	0	293.670	0.145	20	30		CCEDRM
C=CC[C@H](NS(=O)(=O)c1cccc2nonc21)C(=O)[O-]	ZINC000776442200	582073476	/nfs/dbraw/zinc/07/34/76/582073476.db2.gz	AMAIQMFAHRNGQN-QMMMGPOBSA-N	-1	0	297.292	0.530	20	30		CCEDRM
Cc1csc(=O)n1CCC(=O)N(CC#N)CC(=O)[O-]	ZINC000738814911	582079717	/nfs/dbraw/zinc/07/97/17/582079717.db2.gz	ZVJXRCVZTWVAEN-UHFFFAOYSA-N	-1	0	283.309	0.045	20	30		CCEDRM
CC[C@@H](C)C[C@@H](NS(=O)(=O)N(C)CCC#N)C(=O)[O-]	ZINC000776615438	582084912	/nfs/dbraw/zinc/08/49/12/582084912.db2.gz	LXJIYAINHXDLCW-NXEZZACHSA-N	-1	0	291.373	0.556	20	30		CCEDRM
N#Cc1nc(N)n(CCC[N-]C(=O)C(F)(F)F)c1C#N	ZINC000776842991	582091828	/nfs/dbraw/zinc/09/18/28/582091828.db2.gz	NUAHIASEOLKAQF-UHFFFAOYSA-N	-1	0	286.217	0.277	20	30		CCEDRM
N#CC1CCN(C(=O)CCSCC(=O)[O-])CC1	ZINC000739067106	582100531	/nfs/dbraw/zinc/10/05/31/582100531.db2.gz	XAUNYNXOOFHXDG-UHFFFAOYSA-N	-1	0	256.327	0.956	20	30		CCEDRM
N#C[C@H]1CN(C(=O)c2ccc(OCC(=O)[O-])cc2)CCO1	ZINC000739069700	582100585	/nfs/dbraw/zinc/10/05/85/582100585.db2.gz	UHHJDCLAIOXFIQ-LBPRGKRZSA-N	-1	0	290.275	0.515	20	30		CCEDRM
N#CCN(CC(=O)[O-])C(=O)Cc1ccccc1[N+](=O)[O-]	ZINC000739078277	582101418	/nfs/dbraw/zinc/10/14/18/582101418.db2.gz	CTEWBHOSKYAEIV-UHFFFAOYSA-N	-1	0	277.236	0.574	20	30		CCEDRM
N#CCN(CC(=O)[O-])C(=O)c1ccc2c(c1)NC(=O)CO2	ZINC000739088488	582102053	/nfs/dbraw/zinc/10/20/53/582102053.db2.gz	VMAKPPVXDKWWQQ-UHFFFAOYSA-N	-1	0	289.247	0.068	20	30		CCEDRM
N#CCN(CC(=O)[O-])C(=O)c1ccc(Cn2cccn2)o1	ZINC000739088510	582102146	/nfs/dbraw/zinc/10/21/46/582102146.db2.gz	VXHNGVXCVLHDMU-UHFFFAOYSA-N	-1	0	288.263	0.575	20	30		CCEDRM
N#Cc1ccc(C(=O)N2CCSC[C@@H]2CC(=O)[O-])cn1	ZINC000739102164	582102350	/nfs/dbraw/zinc/10/23/50/582102350.db2.gz	RQEXZUCAADARIZ-NSHDSACASA-N	-1	0	291.332	0.986	20	30		CCEDRM
N#CCSCC(=O)Nc1nnc(CCC(=O)[O-])s1	ZINC000739092636	582102365	/nfs/dbraw/zinc/10/23/65/582102365.db2.gz	RBXOVTPYYLWZPC-UHFFFAOYSA-N	-1	0	286.338	0.751	20	30		CCEDRM
N#Cc1ccc([C@H](C(=O)[O-])N2CCN(CCO)CC2)cc1	ZINC000739105415	582102772	/nfs/dbraw/zinc/10/27/72/582102772.db2.gz	MAMFLBMKMAUYEJ-CQSZACIVSA-N	-1	0	289.335	0.294	20	30		CCEDRM
Cc1nc(Cl)cc(N=NCc2cn(CC(=O)[O-])nn2)n1	ZINC000768486098	582107299	/nfs/dbraw/zinc/10/72/99/582107299.db2.gz	XFNXDSISACZTIQ-UHFFFAOYSA-N	-1	0	295.690	0.561	20	30		CCEDRM
C=C(Br)CNC(=O)[C@@H](C)O[C@@H](C)C(=O)[O-]	ZINC000872915030	613237387	/nfs/dbraw/zinc/23/73/87/613237387.db2.gz	WLANNFSKMQGMOJ-RQJHMYQMSA-N	-1	0	280.118	0.889	20	30		CCEDRM
C#CCCCNC(=O)N[C@@H](C[C@@H]1CCCOC1)C(=O)[O-]	ZINC000909028705	612982089	/nfs/dbraw/zinc/98/20/89/612982089.db2.gz	VBKCXXNUIUYARX-RYUDHWBXSA-N	-1	0	282.340	0.969	20	30		CCEDRM
N#CCN(CC(=O)[O-])C(=O)c1cnc2ccccn21	ZINC000833066428	602295727	/nfs/dbraw/zinc/29/57/27/602295727.db2.gz	YOVJFYAMGQZFIX-UHFFFAOYSA-N	-1	0	258.237	0.385	20	30		CCEDRM
C#CCOCCNC(=O)N1CC[C@@](C)(C(=O)[O-])C1	ZINC000840988675	612986423	/nfs/dbraw/zinc/98/64/23/612986423.db2.gz	DEDMSSGXLCHQLA-GFCCVEGCSA-N	-1	0	254.286	0.142	20	30		CCEDRM
C[C@H](C(=O)[O-])N(C)CC(=O)Nc1cccc(C#N)c1	ZINC000054070824	597472600	/nfs/dbraw/zinc/47/26/00/597472600.db2.gz	FAFHUDWBTLPQKQ-SECBINFHSA-N	-1	0	261.281	0.902	20	30		CCEDRM
Cc1cc(CN(C)C(=O)[C@@](C)(C#N)CC(=O)[O-])no1	ZINC000820976647	597634200	/nfs/dbraw/zinc/63/42/00/597634200.db2.gz	OPPSEBQZYPDDMV-GFCCVEGCSA-N	-1	0	265.269	0.946	20	30		CCEDRM
Cn1ncc2c1CCC[C@H]2NC(=O)[C@](C)(C#N)CC(=O)[O-]	ZINC000821315355	597634286	/nfs/dbraw/zinc/63/42/86/597634286.db2.gz	PFBUHYPBRJFYIH-YGRLFVJLSA-N	-1	0	290.323	0.918	20	30		CCEDRM
C[C@@H](CN1CCCC1=O)NC(=O)[C@@](C)(C#N)CC(=O)[O-]	ZINC000820095653	597636374	/nfs/dbraw/zinc/63/63/74/597636374.db2.gz	LBBAMZKDVANIIL-TVQRCGJNSA-N	-1	0	281.312	0.118	20	30		CCEDRM
C[C@](C#N)(CC(=O)[O-])C(=O)NCC1(C(N)=O)CCCC1	ZINC000819835543	597647024	/nfs/dbraw/zinc/64/70/24/597647024.db2.gz	WJAUJEVSCSJABG-GFCCVEGCSA-N	-1	0	281.312	0.153	20	30		CCEDRM
C[C@](C#N)(CC(=O)[O-])C(=O)NCCN1CCSCC1	ZINC000819842457	597646936	/nfs/dbraw/zinc/64/69/36/597646936.db2.gz	QHWQRKUHSZWZPD-GFCCVEGCSA-N	-1	0	285.369	0.156	20	30		CCEDRM
C[C@@](C#N)(CC(=O)[O-])C(=O)N1CCO[C@H](C(F)(F)F)C1	ZINC000819821601	597648334	/nfs/dbraw/zinc/64/83/34/597648334.db2.gz	IQJYYJGEPNRXNB-XVKPBYJWSA-N	-1	0	294.229	0.781	20	30		CCEDRM
C[C@@](C#N)(CC(=O)[O-])C(=O)N1CCC(n2ccnn2)CC1	ZINC000819810838	597657949	/nfs/dbraw/zinc/65/79/49/597657949.db2.gz	GOJNOJZGCLINJA-ZDUSSCGKSA-N	-1	0	291.311	0.446	20	30		CCEDRM
C[C@](C#N)(CC(=O)[O-])C(=O)N1CC2(CC(F)C2)C1	ZINC000819812402	597657951	/nfs/dbraw/zinc/65/79/51/597657951.db2.gz	ZUQMPOLEHXSDFW-LLVKDONJSA-N	-1	0	254.261	0.951	20	30		CCEDRM
C#CCOCCNC(=O)[C@H](C)S[C@@H](C)C(=O)[O-]	ZINC000872857335	612988508	/nfs/dbraw/zinc/98/85/08/612988508.db2.gz	PHCKHQSDMQQYIE-IUCAKERBSA-N	-1	0	259.327	0.347	20	30		CCEDRM
C[C@@H]1CN(C(=O)[C@@](C)(C#N)CC(=O)[O-])[C@H](C)CO1	ZINC000820246057	598223694	/nfs/dbraw/zinc/22/36/94/598223694.db2.gz	RNOFGOJPZJIQSD-KBVBSXBZSA-N	-1	0	254.286	0.627	20	30		CCEDRM
Cc1noc([C@H](C)NC(=O)[C@@](C)(C#N)CC(=O)[O-])n1	ZINC000821224746	598225975	/nfs/dbraw/zinc/22/59/75/598225975.db2.gz	JWANDKWBIKARLM-UPONEAKYSA-N	-1	0	266.257	0.560	20	30		CCEDRM
C#CCO[C@@H](C)C(=O)[N-]S(=O)(=O)c1ccccc1F	ZINC000835037441	612997013	/nfs/dbraw/zinc/99/70/13/612997013.db2.gz	OIJARUAFAGCGNN-VIFPVBQESA-N	-1	0	285.296	0.669	20	30		CCEDRM
C#CCO[C@@H](C)C(=O)N1C[C@@H](C)[C@](C)(C(=O)[O-])C1	ZINC000910260466	612995671	/nfs/dbraw/zinc/99/56/71/612995671.db2.gz	PBRSNNFJWOEJGY-GBIKHYSHSA-N	-1	0	253.298	0.594	20	30		CCEDRM
C#CC(=O)N(CC(=O)[O-])Cc1cc(OC)cc(OC)c1	ZINC000833359534	612945389	/nfs/dbraw/zinc/94/53/89/612945389.db2.gz	CIYBGUMRYWTUTK-UHFFFAOYSA-N	-1	0	277.276	0.750	20	30		CCEDRM
C#CCO[C@H](C)C(=O)[N-]S(=O)(=O)c1ccc(C)cc1F	ZINC000835195566	613002242	/nfs/dbraw/zinc/00/22/42/613002242.db2.gz	KEDSOVZQBYQRCK-SNVBAGLBSA-N	-1	0	299.323	0.977	20	30		CCEDRM
C#CC(C)(C)[N-]S(=O)(=O)c1occc1C(=O)OC	ZINC000881888022	612946097	/nfs/dbraw/zinc/94/60/97/612946097.db2.gz	JFILDFHHVCQKCH-UHFFFAOYSA-N	-1	0	271.294	0.756	20	30		CCEDRM
N#CC1(NS(=O)(=O)c2cc(C(=O)[O-])ccc2F)CC1	ZINC000739066225	600577761	/nfs/dbraw/zinc/57/77/61/600577761.db2.gz	IQSXWJITHKYFTD-UHFFFAOYSA-N	-1	0	284.268	0.858	20	30		CCEDRM
C#CCN(CC)S(=O)(=O)c1ccc(CC(=O)[O-])cc1	ZINC000164453443	600648861	/nfs/dbraw/zinc/64/88/61/600648861.db2.gz	RMALGBHTYLXIFK-UHFFFAOYSA-N	-1	0	281.333	0.958	20	30		CCEDRM
CN(CCC(=O)[O-])S(=O)(=O)c1cccc(F)c1C#N	ZINC000070535472	600709907	/nfs/dbraw/zinc/70/99/07/600709907.db2.gz	RSQUJKJPRUEUAH-UHFFFAOYSA-N	-1	0	286.284	0.793	20	30		CCEDRM
C=C(Cl)CNS(=O)(=O)c1c[nH]c(C(=O)[O-])c1	ZINC000167680627	600753477	/nfs/dbraw/zinc/75/34/77/600753477.db2.gz	ROZRGCZAMWMHCO-UHFFFAOYSA-N	-1	0	264.690	0.744	20	30		CCEDRM
C#CCN(CC#CC)CC(=O)N[C@@H](CC(C)C)C(=O)[O-]	ZINC000825614007	600836802	/nfs/dbraw/zinc/83/68/02/600836802.db2.gz	ANVPSPDSWIDKLX-ZDUSSCGKSA-N	-1	0	278.352	0.560	20	30		CCEDRM
N#CCN1CCN(C(=O)[C@@H]2CCC[C@@H](C(=O)[O-])C2)CC1	ZINC000833067533	600964521	/nfs/dbraw/zinc/96/45/21/600964521.db2.gz	WNNYEYIEZOSOON-VXGBXAGGSA-N	-1	0	279.340	0.545	20	30		CCEDRM
CN(C)C(=O)c1cccc(CN(CC#N)CC(=O)[O-])c1	ZINC000830575413	601004257	/nfs/dbraw/zinc/00/42/57/601004257.db2.gz	QGNLIVVNCRMGSN-UHFFFAOYSA-N	-1	0	275.308	0.799	20	30		CCEDRM
N#CCN(CC(=O)[O-])CC(=O)NC(=O)Nc1ccccc1	ZINC000833065779	601005006	/nfs/dbraw/zinc/00/50/06/601005006.db2.gz	HUERLAYXJCUBQO-UHFFFAOYSA-N	-1	0	290.279	0.245	20	30		CCEDRM
CS(=O)(=O)NN=Cc1c[nH]c2ccc(C(=O)[O-])cc12	ZINC000832699292	617176756	/nfs/dbraw/zinc/17/67/56/617176756.db2.gz	DFFRKFSFHSAWGL-UHFFFAOYSA-N	-1	0	281.293	0.749	20	30		CCEDRM
C#Cc1cccc(NC(=O)Cn2cc(C(=O)[O-])nn2)c1	ZINC000090715416	601195131	/nfs/dbraw/zinc/19/51/31/601195131.db2.gz	XXPVRJMGWMYYRG-UHFFFAOYSA-N	-1	0	270.248	0.596	20	30		CCEDRM
C[C@@H]1Cc2ccccc2N1C(=O)CN(CC#N)CC(=O)[O-]	ZINC000828515716	601227187	/nfs/dbraw/zinc/22/71/87/601227187.db2.gz	FJWRDWZKMIRTGX-LLVKDONJSA-N	-1	0	287.319	0.874	20	30		CCEDRM
N#CCN(CC(=O)[O-])C[C@@H]1COc2ccccc2O1	ZINC000833066712	601242430	/nfs/dbraw/zinc/24/24/30/601242430.db2.gz	HIYJWHVKHRVFCI-SNVBAGLBSA-N	-1	0	262.265	0.737	20	30		CCEDRM
C#CCCNS(=O)(=O)c1ccc(F)c(C(=O)[O-])c1	ZINC000070246304	601244033	/nfs/dbraw/zinc/24/40/33/601244033.db2.gz	ODBDHPWEDMGURM-UHFFFAOYSA-N	-1	0	271.269	0.826	20	30		CCEDRM
C#CCNC(=O)CNc1cc(OC)ccc1C(=O)[O-]	ZINC000825618361	601250008	/nfs/dbraw/zinc/25/00/08/601250008.db2.gz	BBRREJMQOFDUFU-UHFFFAOYSA-N	-1	0	262.265	0.555	20	30		CCEDRM
C[C@H]1CCC[C@@](C#N)(NC(=O)Cn2cc(C(=O)[O-])nn2)C1	ZINC000828232503	601287330	/nfs/dbraw/zinc/28/73/30/601287330.db2.gz	GNNQTALHVFZWEF-TVQRCGJNSA-N	-1	0	291.311	0.565	20	30		CCEDRM
N#CCN(CCC(=O)Nc1cc(N)ccc1F)CC(=O)[O-]	ZINC000833067284	601319314	/nfs/dbraw/zinc/31/93/14/601319314.db2.gz	UDYSRGTXPSRJIU-UHFFFAOYSA-N	-1	0	294.286	0.647	20	30		CCEDRM
N#CC1(NC(=O)CN(CC(=O)[O-])C2CC2)CCCCC1	ZINC000833064509	601463851	/nfs/dbraw/zinc/46/38/51/601463851.db2.gz	KGHKUWJECLLIAQ-UHFFFAOYSA-N	-1	0	279.340	0.878	20	30		CCEDRM
Cc1[nH]c(C(=O)CN2CCOC[C@H]2C#N)c(C)c1C(=O)[O-]	ZINC000832843873	601644476	/nfs/dbraw/zinc/64/44/76/601644476.db2.gz	IIBNNCDUGOHYBE-SNVBAGLBSA-N	-1	0	291.307	0.737	20	30		CCEDRM
C[C@@H]1CN(C(=O)NC2CCN(CC#N)CC2)C[C@H]1C(=O)[O-]	ZINC000828348184	601660826	/nfs/dbraw/zinc/66/08/26/601660826.db2.gz	IEXCIKNQQATZBS-ZYHUDNBSSA-N	-1	0	294.355	0.336	20	30		CCEDRM
C[C@H]1CN(C(=O)c2ccc(C#N)cn2)C[C@@H]1C(=O)[O-]	ZINC000104211911	601692202	/nfs/dbraw/zinc/69/22/02/601692202.db2.gz	RSRBUCOROINXDZ-WPRPVWTQSA-N	-1	0	259.265	0.746	20	30		CCEDRM
C[C@H](CC(=O)[O-])C(=O)OCC(=O)NC1(C#N)CCCCC1	ZINC000827332205	602280732	/nfs/dbraw/zinc/28/07/32/602280732.db2.gz	AUEYBUHZIVXYOD-SNVBAGLBSA-N	-1	0	296.323	0.983	20	30		CCEDRM
C#CCNC(=O)[C@H](C)OC(=O)[C@H]1CC[C@H](NC(=O)[O-])C1	ZINC000823455609	612951231	/nfs/dbraw/zinc/95/12/31/612951231.db2.gz	FICWTCVIYKORRC-GUBZILKMSA-N	-1	0	282.296	0.104	20	30		CCEDRM
Cn1cc(C#N)cc1C(=O)NC1CCN(C(=O)[O-])CC1	ZINC000830989780	603529213	/nfs/dbraw/zinc/52/92/13/603529213.db2.gz	RXFWEKAYNABQIK-UHFFFAOYSA-N	-1	0	276.296	0.769	20	30		CCEDRM
N#CCN1CCC(NC(=O)[C@@H]2CC[C@H](NC(=O)[O-])C2)CC1	ZINC000831102779	603581025	/nfs/dbraw/zinc/58/10/25/603581025.db2.gz	UJYJIFFPMIURRR-PWSUYJOCSA-N	-1	0	294.355	0.527	20	30		CCEDRM
N#C[C@H]1CN(C(=O)[O-])CCN1Cc1nnc(C2CC2)o1	ZINC000831092589	603726878	/nfs/dbraw/zinc/72/68/78/603726878.db2.gz	XJZJPHGTAZVUCJ-VIFPVBQESA-N	-1	0	277.284	0.635	20	30		CCEDRM
N#Cc1c[nH]c(C(=O)NC[C@@H]2CCCN2C(=O)[O-])c1	ZINC000831114698	603888898	/nfs/dbraw/zinc/88/88/98/603888898.db2.gz	RFYOMTWJURDROS-VIFPVBQESA-N	-1	0	262.269	0.759	20	30		CCEDRM
C[C@@]1(C(=O)N2CCO[C@@H](C#N)C2)CCN(C(=O)[O-])C1	ZINC000825657633	603929856	/nfs/dbraw/zinc/92/98/56/603929856.db2.gz	VCHBWLXFWGKQNH-JOYOIKCWSA-N	-1	0	267.285	0.127	20	30		CCEDRM
N#CCCNC(=O)CN1CC[C@H]2CC[C@@H](C1)N2C(=O)[O-]	ZINC000831097000	603978330	/nfs/dbraw/zinc/97/83/30/603978330.db2.gz	AXTJFPMFHFMFCY-MNOVXSKESA-N	-1	0	280.328	0.233	20	30		CCEDRM
N#CC1(NC(=O)COC2CN(C(=O)[O-])C2)CCCCC1	ZINC000831075840	603991534	/nfs/dbraw/zinc/99/15/34/603991534.db2.gz	DESWAPWPQSJEPV-UHFFFAOYSA-N	-1	0	281.312	0.708	20	30		CCEDRM
N#C[C@@H]1CN(C(=O)[O-])CCN1C(=O)/C=C\C1CCOCC1	ZINC000831076259	604067745	/nfs/dbraw/zinc/06/77/45/604067745.db2.gz	IUGNDFYITUVOGS-UDSFMNFJSA-N	-1	0	293.323	0.684	20	30		CCEDRM
N#C[C@@H]1CN(C(=O)[O-])CCN1C(=O)[C@H]1C[C@H]1C1CC1	ZINC000831076160	604071346	/nfs/dbraw/zinc/07/13/46/604071346.db2.gz	GWERNTVWBIOKAR-VWYCJHECSA-N	-1	0	263.297	0.747	20	30		CCEDRM
Cc1cc(C(=O)N2CCN(C(=O)[O-])C[C@@H]2C#N)n(C)n1	ZINC000829930309	604081847	/nfs/dbraw/zinc/08/18/47/604081847.db2.gz	OJRSMUPJSVZFPS-VIFPVBQESA-N	-1	0	277.284	0.057	20	30		CCEDRM
C[C@@H](CNC(=O)[O-])N(C)C(=O)Nc1nn(C)cc1C#N	ZINC000824966253	604153912	/nfs/dbraw/zinc/15/39/12/604153912.db2.gz	CEWZRDRYUVMUGI-ZETCQYMHSA-N	-1	0	280.288	0.412	20	30		CCEDRM
N#CCOc1cc(F)ccc1NC(=O)CNC(=O)[O-]	ZINC000831102751	604639665	/nfs/dbraw/zinc/63/96/65/604639665.db2.gz	TWUKWNKZAOKDFA-UHFFFAOYSA-N	-1	0	267.216	0.934	20	30		CCEDRM
C[C@H](C#N)C(=O)N1CCO[C@@H]([C@H](C)NC(=O)[O-])C1	ZINC000823646483	604676794	/nfs/dbraw/zinc/67/67/94/604676794.db2.gz	COCHZONMXCRKMD-HRDYMLBCSA-N	-1	0	255.274	0.030	20	30		CCEDRM
N#CCNC(=O)COC(=O)c1ccc(C(=O)[O-])c(F)c1	ZINC000833066988	604855164	/nfs/dbraw/zinc/85/51/64/604855164.db2.gz	NEJZSVVYJDEUAS-UHFFFAOYSA-N	-1	0	280.211	0.320	20	30		CCEDRM
N#C[C@@H]1CN(C(=O)c2ccc(C(=O)[O-])c(F)c2)CCO1	ZINC000833062936	604998255	/nfs/dbraw/zinc/99/82/55/604998255.db2.gz	RIPWVMYIXWQGMQ-SECBINFHSA-N	-1	0	278.239	0.888	20	30		CCEDRM
C[C@H]1C[C@H](C(=O)N(CC#N)CC(=O)[O-])CCC1=O	ZINC000833592766	604999770	/nfs/dbraw/zinc/99/97/70/604999770.db2.gz	OBQHNVZECZPBQE-DTWKUNHWSA-N	-1	0	252.270	0.428	20	30		CCEDRM
C#CCNS(=O)(=O)c1cc(Cl)ccc1C(=O)[O-]	ZINC000833364246	605013868	/nfs/dbraw/zinc/01/38/68/605013868.db2.gz	MSDPXCWWMZLEPF-UHFFFAOYSA-N	-1	0	273.697	0.950	20	30		CCEDRM
C=CCOc1ccc(C(=O)NC[C@H](O)C(=O)[O-])cc1	ZINC000090261997	605024921	/nfs/dbraw/zinc/02/49/21/605024921.db2.gz	AVHDSMYEAZUJEY-NSHDSACASA-N	-1	0	265.265	0.427	20	30		CCEDRM
C#CC[C@@H]([N-]S(=O)(=O)C[C@@H](OC)C(C)C)C(=O)OC	ZINC000827683487	613043006	/nfs/dbraw/zinc/04/30/06/613043006.db2.gz	INJJISUKIZZLEO-GHMZBOCLSA-N	-1	0	291.369	0.142	20	30		CCEDRM
N#CC1(OC(=O)C[C@@H]2CN(C(=O)[O-])CCO2)CCC1	ZINC000831076313	605087646	/nfs/dbraw/zinc/08/76/46/605087646.db2.gz	JSMSVVSSAJTZQO-SECBINFHSA-N	-1	0	268.269	0.745	20	30		CCEDRM
C[C@H](C#N)CN(C)C(=O)CO[C@H]1CCCN(C(=O)[O-])C1	ZINC000823647781	605262266	/nfs/dbraw/zinc/26/22/66/605262266.db2.gz	NTNNLQPWCVBYNC-MNOVXSKESA-N	-1	0	283.328	0.763	20	30		CCEDRM
N#CCCCNS(=O)(=O)c1cc(C(=O)[O-])co1	ZINC000694208937	605405738	/nfs/dbraw/zinc/40/57/38/605405738.db2.gz	AMDZVKQYFQIDMM-UHFFFAOYSA-N	-1	0	258.255	0.560	20	30		CCEDRM
N#Cc1ccccc1COC(=O)[C@@H](CC(N)=O)NC(=O)[O-]	ZINC000833977352	605417058	/nfs/dbraw/zinc/41/70/58/605417058.db2.gz	YIUVFZADKDSTCK-SNVBAGLBSA-N	-1	0	291.263	0.113	20	30		CCEDRM
C[C@@H](C#N)NC(=O)CO[C@@H]1CCCN(C(=O)[O-])C1	ZINC000823647133	605669220	/nfs/dbraw/zinc/66/92/20/605669220.db2.gz	JDHKEVBTRXUSQY-DTWKUNHWSA-N	-1	0	255.274	0.174	20	30		CCEDRM
N#C[C@@H]1CN(C(=O)[O-])C[C@H]1NC[C@H](O)Cc1ccccc1	ZINC000833965572	605673883	/nfs/dbraw/zinc/67/38/83/605673883.db2.gz	BWWGJMRULBZMKJ-MGPQQGTHSA-N	-1	0	289.335	0.682	20	30		CCEDRM
N#C[C@H]1CN(C(=O)[O-])C[C@@H]1NCC1(O)CCCCC1	ZINC000833967514	605685150	/nfs/dbraw/zinc/68/51/50/605685150.db2.gz	RHZHGKMHANWOAU-QWRGUYRKSA-N	-1	0	267.329	0.773	20	30		CCEDRM
Cc1onc(CC(=O)N[C@H](C)CCNC(=O)[O-])c1C#N	ZINC000833934827	605699198	/nfs/dbraw/zinc/69/91/98/605699198.db2.gz	CKHCAYQFKXOYMH-SSDOTTSWSA-N	-1	0	280.284	0.560	20	30		CCEDRM
Cc1onc(CC(=O)NC[C@H](NC(=O)[O-])C2CC2)c1C#N	ZINC000833936699	605699944	/nfs/dbraw/zinc/69/99/44/605699944.db2.gz	PFVMYIBXNICTLQ-NSHDSACASA-N	-1	0	292.295	0.560	20	30		CCEDRM
N#CC1(NC(=O)CO[C@H]2CCCN(C(=O)[O-])C2)CC1	ZINC000831076753	605726867	/nfs/dbraw/zinc/72/68/67/605726867.db2.gz	RYWMOXYXZHONBD-VIFPVBQESA-N	-1	0	267.285	0.318	20	30		CCEDRM
N#CCNC(=O)COC(=O)Cc1cccc(NC(=O)[O-])c1	ZINC000833966332	605798873	/nfs/dbraw/zinc/79/88/73/605798873.db2.gz	DLPLHRTUHXHKAC-UHFFFAOYSA-N	-1	0	291.263	0.502	20	30		CCEDRM
Cc1nnc(CN[C@H]2CN(C(=O)[O-])C[C@@H]2C#N)s1	ZINC000833927497	605810011	/nfs/dbraw/zinc/81/00/11/605810011.db2.gz	SYDFEIGXAPODFZ-YUMQZZPRSA-N	-1	0	267.314	0.438	20	30		CCEDRM
C[C@@H](CCNC(=O)c1ccc(C#N)[nH]1)NC(=O)[O-]	ZINC000833803904	605859753	/nfs/dbraw/zinc/85/97/53/605859753.db2.gz	AHIRSGCYKVQLMG-ZETCQYMHSA-N	-1	0	250.258	0.662	20	30		CCEDRM
Cc1ccc(C(=O)N2CCN(C(=O)[O-])C[C@H]2C#N)nc1	ZINC000833903359	605976055	/nfs/dbraw/zinc/97/60/55/605976055.db2.gz	FMGUEOTUDBLIKO-SNVBAGLBSA-N	-1	0	274.280	0.718	20	30		CCEDRM
O=C([O-])N1CC(N=NC2=N[C@H]3CCCC[C@@H]3N2)C1	ZINC000834064912	605992807	/nfs/dbraw/zinc/99/28/07/605992807.db2.gz	DWYPKPXJCZUUTA-IUCAKERBSA-N	-1	0	251.290	0.196	20	30		CCEDRM
N#C[C@@H]1CN(C(=O)[O-])CCN1C(=O)c1cccc(F)n1	ZINC000833965861	606058821	/nfs/dbraw/zinc/05/88/21/606058821.db2.gz	FOPHPRKOTLQHHS-MRVPVSSYSA-N	-1	0	278.243	0.549	20	30		CCEDRM
N#Cc1cc(C(=O)N2CC[C@H](CNC(=O)[O-])C2)c[nH]1	ZINC000833969999	606089371	/nfs/dbraw/zinc/08/93/71/606089371.db2.gz	HUELPXYPRKBNLE-MRVPVSSYSA-N	-1	0	262.269	0.616	20	30		CCEDRM
N#C[C@H](OC(=O)CCOC1CN(C(=O)[O-])C1)C1CC1	ZINC000833964322	606111969	/nfs/dbraw/zinc/11/19/69/606111969.db2.gz	GFTZULKLQONNBM-JTQLQIEISA-N	-1	0	268.269	0.601	20	30		CCEDRM
C#CCCS(=O)(=O)[N-]C(=O)c1cccc([S@](C)=O)c1	ZINC000810785211	613053534	/nfs/dbraw/zinc/05/35/34/613053534.db2.gz	BFMOAVROFPWHII-SFHVURJKSA-N	-1	0	299.373	0.507	20	30		CCEDRM
Cn1ccc(C(=O)Nc2nc(C#N)c(-c3nn[nH]n3)[n-]2)c1	ZINC000822684773	606966449	/nfs/dbraw/zinc/96/64/49/606966449.db2.gz	HRMIBOCBAUCTDY-UHFFFAOYSA-N	-1	0	283.255	0.052	20	30		CCEDRM
Cc1cc(C)n(N=Cc2cc[nH]n2)c(=O)c1-c1nnn[n-]1	ZINC000826266049	607885340	/nfs/dbraw/zinc/88/53/40/607885340.db2.gz	ZXSBWOPPRSVITD-UHFFFAOYSA-N	-1	0	284.283	0.251	20	30		CCEDRM
C#CC[C@H]1CCCN(C(=O)CSc2n[nH]c(=O)[n-]2)C1	ZINC000844004505	613072212	/nfs/dbraw/zinc/07/22/12/613072212.db2.gz	CCZFZVMIFZSTAA-VIFPVBQESA-N	-1	0	280.353	0.864	20	30		CCEDRM
CS(C)(=O)=NS(=O)(=O)[N-]C1(C#N)CCCCC1	ZINC000820802240	617197479	/nfs/dbraw/zinc/19/74/79/617197479.db2.gz	JHVFIFLAHSENMV-UHFFFAOYSA-N	-1	0	279.387	0.775	20	30		CCEDRM
C#CCN(CC#CC)C(=O)NCCN(C)C(=O)[O-]	ZINC000823450604	613099709	/nfs/dbraw/zinc/09/97/09/613099709.db2.gz	DVIMMYFBHGCAHI-UHFFFAOYSA-N	-1	0	251.286	0.264	20	30		CCEDRM
C=C(Cl)C[C@H](NC(=O)[C@H]1CCS(=O)(=O)C1)C(=O)[O-]	ZINC000864184250	613390749	/nfs/dbraw/zinc/39/07/49/613390749.db2.gz	LOVXRFVFNSMWRL-YUMQZZPRSA-N	-1	0	295.744	0.133	20	30		CCEDRM
C=CCOC[C@H](NC(=O)c1cncs1)C(=O)[O-]	ZINC000909772919	613882793	/nfs/dbraw/zinc/88/27/93/613882793.db2.gz	YGCQBZKQKHBIOQ-ZETCQYMHSA-N	-1	0	256.283	0.529	20	30		CCEDRM
CC(C)(C)C[C@H](O)CC(=O)N[C@H]1CCCN(O)C1=O	ZINC000848133099	613921674	/nfs/dbraw/zinc/92/16/74/613921674.db2.gz	SCBODPAFCPHCFQ-ZJUUUORDSA-N	-1	0	272.345	0.670	20	30		CCEDRM
C#CCC1(NS(=O)(=O)c2ncc[n-]2)CCOCC1	ZINC000885840657	612971334	/nfs/dbraw/zinc/97/13/34/612971334.db2.gz	KXDDWGHTFMLPME-UHFFFAOYSA-N	-1	0	269.326	0.261	20	30		CCEDRM
C#CCCCCC(=O)[N-]S(=O)(=O)CC(=O)OCC	ZINC000838845863	612975762	/nfs/dbraw/zinc/97/57/62/612975762.db2.gz	WVPYWZXMMJUWPK-UHFFFAOYSA-N	-1	0	275.326	0.189	20	30		CCEDRM
C#CCCCCNC(=O)c1ccc([N-]S(C)(=O)=O)nc1	ZINC000860021659	612978291	/nfs/dbraw/zinc/97/82/91/612978291.db2.gz	NZUSHIHHYWGZTP-UHFFFAOYSA-N	-1	0	295.364	0.986	20	30		CCEDRM
COc1ccc(C=NNC[C@@H](C)O)c(OCC(=O)[O-])c1	ZINC000814962842	617238213	/nfs/dbraw/zinc/23/82/13/617238213.db2.gz	VZMRVPMSVCEZLN-SECBINFHSA-N	-1	0	282.296	0.463	20	30		CCEDRM
CSCCO[N-]C(=O)C(=O)NCC1(C#N)CCCCC1	ZINC000830416941	617237395	/nfs/dbraw/zinc/23/73/95/617237395.db2.gz	BZCUWMZKYXSLRF-UHFFFAOYSA-N	-1	0	299.396	0.987	20	30		CCEDRM
CS[C@H](C)CC(=O)N1CCN(C(=O)[O-])C[C@@H]1C#N	ZINC000833893811	617275433	/nfs/dbraw/zinc/27/54/33/617275433.db2.gz	SPKMKJJWQVSZSC-BDAKNGLRSA-N	-1	0	271.342	0.842	20	30		CCEDRM
COc1ccc2c(c1)C(=N[N-]c1nc[nH]n1)C(=O)N2	ZINC000807996322	617283463	/nfs/dbraw/zinc/28/34/63/617283463.db2.gz	PMLIRCLUTMCTBJ-UHFFFAOYSA-N	-1	0	258.241	0.582	20	30		CCEDRM
C[C@@H](C#N)CN(C)C(=O)C[C@H]1CN(C(=O)[O-])CCO1	ZINC000823648086	617295594	/nfs/dbraw/zinc/29/55/94/617295594.db2.gz	PRUOBMWPMAPIQE-UWVGGRQHSA-N	-1	0	269.301	0.373	20	30		CCEDRM
COc1cccc(CC(=O)N[C@H]2CCN(O)C2=O)c1Cl	ZINC000820133633	617295639	/nfs/dbraw/zinc/29/56/39/617295639.db2.gz	YPJDJFFYXWXSEM-VIFPVBQESA-N	-1	0	298.726	0.997	20	30		CCEDRM
C[C@@H](C(=O)N1CCN(C(=O)[O-])C[C@@H]1C#N)c1cccnc1	ZINC000823670309	617304462	/nfs/dbraw/zinc/30/44/62/617304462.db2.gz	UCUQBDLWUZBNFZ-PWSUYJOCSA-N	-1	0	288.307	0.899	20	30		CCEDRM
C[C@@H](C(=O)N1CCN(C(=O)[O-])C[C@H]1C#N)C(F)(F)F	ZINC000823669517	617304503	/nfs/dbraw/zinc/30/45/03/617304503.db2.gz	OJWGAUWBQUQKNU-NKWVEPMBSA-N	-1	0	279.218	0.899	20	30		CCEDRM
C#CC(C)(C)NC(=O)CO[C@@H]1CCCN(C(=O)[O-])C1	ZINC000823441145	612945934	/nfs/dbraw/zinc/94/59/34/612945934.db2.gz	VKJNMVITTDDHTD-SNVBAGLBSA-N	-1	0	268.313	0.673	20	30		CCEDRM
C#CCC(C)(C)C(=O)[N-]S(=O)(=O)C1(COC)CC1	ZINC000811158718	612965699	/nfs/dbraw/zinc/96/56/99/612965699.db2.gz	BHRRLABMANOUEN-UHFFFAOYSA-N	-1	0	273.354	0.661	20	30		CCEDRM
C#CCC1(C(=O)N[C@@H](CO)C(=O)[O-])CCCCC1	ZINC000911257242	612968355	/nfs/dbraw/zinc/96/83/55/612968355.db2.gz	OUMTXYVXMNUDDT-JTQLQIEISA-N	-1	0	253.298	0.522	20	30		CCEDRM
C#CCCCC(=O)N1CC(n2cc(C(=O)[O-])nn2)C1	ZINC000909509747	612974323	/nfs/dbraw/zinc/97/43/23/612974323.db2.gz	YPBLCSYYTWPSRG-UHFFFAOYSA-N	-1	0	262.269	0.163	20	30		CCEDRM
C#CCCCC(=O)N[C@H](C[C@@H]1CCCO1)C(=O)[O-]	ZINC000910591229	612975279	/nfs/dbraw/zinc/97/52/79/612975279.db2.gz	QFDSUFGFQFECRS-WDEREUQCSA-N	-1	0	253.298	0.928	20	30		CCEDRM
C#CCCCCC(=O)N[C@H](C)C(=O)N[C@@H](C)C(=O)[O-]	ZINC000910748649	612975803	/nfs/dbraw/zinc/97/58/03/612975803.db2.gz	TZCSGJBNDWEBNQ-ZJUUUORDSA-N	-1	0	268.313	0.274	20	30		CCEDRM
C#CCCCCCC(=O)N1CCOC[C@@H]1c1nnn[n-]1	ZINC000913495924	612975958	/nfs/dbraw/zinc/97/59/58/612975958.db2.gz	PQWWLJPMOFTTSB-LLVKDONJSA-N	-1	0	277.328	0.683	20	30		CCEDRM
C#CCCCCNC(=O)C(=O)NCC1(C(=O)[O-])CCC1	ZINC000851680803	612977117	/nfs/dbraw/zinc/97/71/17/612977117.db2.gz	KACLSFFRVVZBLK-UHFFFAOYSA-N	-1	0	280.324	0.277	20	30		CCEDRM
C#CCCCCNC(=O)C(=O)N1C[C@H](C(=O)[O-])C[C@H](C)C1	ZINC000817891692	612977120	/nfs/dbraw/zinc/97/71/20/612977120.db2.gz	NJZRPKTUQYHIQZ-NWDGAFQWSA-N	-1	0	294.351	0.475	20	30		CCEDRM
C#CCOCCC(=O)N1C[C@@H](C(=O)[O-])Oc2ccccc21	ZINC000833364432	612978773	/nfs/dbraw/zinc/97/87/73/612978773.db2.gz	QRHGUZNDAIEOQD-ZDUSSCGKSA-N	-1	0	289.287	0.905	20	30		CCEDRM
C#CCOCCNC(=O)C(=O)Nc1ccsc1C(=O)[O-]	ZINC000833366381	612985322	/nfs/dbraw/zinc/98/53/22/612985322.db2.gz	UQTWJSWUULGOBT-UHFFFAOYSA-N	-1	0	296.304	0.151	20	30		CCEDRM
C#CCOCCNC(=O)C(C)(C)SCC(=O)[O-]	ZINC000872857207	612985378	/nfs/dbraw/zinc/98/53/78/612985378.db2.gz	NCEAEOGOAJZWNF-UHFFFAOYSA-N	-1	0	259.327	0.349	20	30		CCEDRM
C#CCOCCNC(=O)[C@@H]1C[C@@]1(C(=O)[O-])C(C)C	ZINC000899782475	612988282	/nfs/dbraw/zinc/98/82/82/612988282.db2.gz	VGLUSGAWDOVPTL-GXFFZTMASA-N	-1	0	253.298	0.499	20	30		CCEDRM
C#CCOCCNc1ccc(S(N)(=O)=O)cc1C(=O)[O-]	ZINC000833366438	612990060	/nfs/dbraw/zinc/99/00/60/612990060.db2.gz	XBBKMSYVLPVHDN-UHFFFAOYSA-N	-1	0	298.320	0.094	20	30		CCEDRM
C#CCO[N-]C(=O)COCc1ccnc(OC)c1	ZINC000862184158	612992007	/nfs/dbraw/zinc/99/20/07/612992007.db2.gz	ZBOLBVVXFDIHOP-UHFFFAOYSA-N	-1	0	250.254	0.288	20	30		CCEDRM
C#CCO[N-]C(=O)Cc1cnn(-c2ccccc2)n1	ZINC000812786271	612992295	/nfs/dbraw/zinc/99/22/95/612992295.db2.gz	GNWWHLBZFXXDDO-UHFFFAOYSA-N	-1	0	256.265	0.491	20	30		CCEDRM
C#CCO[N-]C(=O)[C@@H](NC(=O)c1ccccn1)C(C)C	ZINC000855603895	612992458	/nfs/dbraw/zinc/99/24/58/612992458.db2.gz	UOJDQBJFYJNLLN-LBPRGKRZSA-N	-1	0	275.308	0.517	20	30		CCEDRM
C#CCO[N-]C(=O)[C@@H](CC)N1CCO[C@@H](CC)C1	ZINC000855606752	612992508	/nfs/dbraw/zinc/99/25/08/612992508.db2.gz	PNCZPHOCAWKZGR-NWDGAFQWSA-N	-1	0	254.330	0.557	20	30		CCEDRM
C#CCO[C@@H](C)C(=O)NC1(CC(=O)[O-])CCOCC1	ZINC000909050775	612995898	/nfs/dbraw/zinc/99/58/98/612995898.db2.gz	SEBCZPZCNZUJKD-JTQLQIEISA-N	-1	0	269.297	0.165	20	30		CCEDRM
C#CCO[C@@H](C)C(=O)NC1(c2nnn[n-]2)CCCC1	ZINC000826047096	612995969	/nfs/dbraw/zinc/99/59/69/612995969.db2.gz	HBYORSSHUNOJAT-VIFPVBQESA-N	-1	0	263.301	0.124	20	30		CCEDRM
C#CCO[C@@H](C)C(=O)N[C@@H](CC1(OC)CCC1)C(=O)[O-]	ZINC000909892053	612997028	/nfs/dbraw/zinc/99/70/28/612997028.db2.gz	FTFYBVORNKWGHH-QWRGUYRKSA-N	-1	0	283.324	0.553	20	30		CCEDRM
C#CCO[C@H](C)C(=O)N1CCC[C@@H]2C[C@@]21C(=O)[O-]	ZINC000923149587	612999322	/nfs/dbraw/zinc/99/93/22/612999322.db2.gz	NOBYCZIGULNXAO-BREBYQMCSA-N	-1	0	251.282	0.490	20	30		CCEDRM
C#CCO[C@H](C)C(=O)N[C@@H](CCCC=C)C(=O)[O-]	ZINC000910915777	613002432	/nfs/dbraw/zinc/00/24/32/613002432.db2.gz	ASZZSHKHPIIMCL-MNOVXSKESA-N	-1	0	253.298	0.950	20	30		CCEDRM
C#CCO[C@H](C)C(=O)N[C@H](C(=O)[O-])c1cccc(OC)c1	ZINC000909944512	613002986	/nfs/dbraw/zinc/00/29/86/613002986.db2.gz	JRHGRAIFUPKXLT-MFKMUULPSA-N	-1	0	291.303	0.975	20	30		CCEDRM
C#CCO[C@H](C)C(=O)N[C@H](C(=O)[O-])[C@H]1CCC[C@@H](OC)C1	ZINC000909914070	613003008	/nfs/dbraw/zinc/00/30/08/613003008.db2.gz	MXLUBNMZFJSGIB-XQHKEYJVSA-N	-1	0	297.351	0.799	20	30		CCEDRM
C#CCOc1cccc(NC(=O)C(=O)N[C@@H](C)C(=O)[O-])c1	ZINC000817675454	613007382	/nfs/dbraw/zinc/00/73/82/613007382.db2.gz	XIJIUVIXUWHKQH-VIFPVBQESA-N	-1	0	290.275	0.226	20	30		CCEDRM
C#CCSCCNC(=O)CN(CC1CC1)C(=O)[O-]	ZINC000823467228	613015635	/nfs/dbraw/zinc/01/56/35/613015635.db2.gz	SBHZQJKABBZVBH-UHFFFAOYSA-N	-1	0	270.354	0.859	20	30		CCEDRM
C#CC[C@@H](NC(=O)COCc1ccc(OC)cc1)C(=O)[O-]	ZINC000910052745	613039993	/nfs/dbraw/zinc/03/99/93/613039993.db2.gz	HUWFUTYHQZUCNZ-CYBMUJFWSA-N	-1	0	291.303	0.805	20	30		CCEDRM
C#CC[C@@H](NC(=O)C[C@@](C)(O)c1ccccc1)C(=O)[O-]	ZINC000910049915	613040121	/nfs/dbraw/zinc/04/01/21/613040121.db2.gz	ABPPYDDZRJRLIK-IUODEOHRSA-N	-1	0	275.304	0.877	20	30		CCEDRM
C#CC[C@@H](NC(=O)COCCc1ccccc1)C(=O)[O-]	ZINC000910054057	613040140	/nfs/dbraw/zinc/04/01/40/613040140.db2.gz	ILXNHZSTXAEFQP-CYBMUJFWSA-N	-1	0	275.304	0.838	20	30		CCEDRM
C#CC[C@@H](NC(=O)[C@@H](O)CCc1ccccc1)C(=O)[O-]	ZINC000910052081	613040559	/nfs/dbraw/zinc/04/05/59/613040559.db2.gz	NQSGRBWDAJACBB-OLZOCXBDSA-N	-1	0	275.304	0.573	20	30		CCEDRM
C#CC[C@@H](NC(=O)[C@@H]1CCc2cncn2C1)C(=O)[O-]	ZINC000910047975	613040867	/nfs/dbraw/zinc/04/08/67/613040867.db2.gz	BDLPAZMXWUYBHP-MWLCHTKSSA-N	-1	0	261.281	0.038	20	30		CCEDRM
C#CC[C@@H](NC(=O)[C@H]1CCc2ncncc2C1)C(=O)[O-]	ZINC000910046439	613041161	/nfs/dbraw/zinc/04/11/61/613041161.db2.gz	PLMWHNBUOSGFBJ-JOYOIKCWSA-N	-1	0	273.292	0.174	20	30		CCEDRM
C#CC[C@@H](NC(=O)c1c(Cl)cnn1CC)C(=O)[O-]	ZINC000910045967	613041471	/nfs/dbraw/zinc/04/14/71/613041471.db2.gz	IQPZGEWHECKJAT-MRVPVSSYSA-N	-1	0	269.688	0.763	20	30		CCEDRM
C#CC[C@@H](NC(=O)c1cccc(C(=O)N(C)C)c1)C(=O)[O-]	ZINC000910053091	613041996	/nfs/dbraw/zinc/04/19/96/613041996.db2.gz	ATGQZOLAJTVBNB-GFCCVEGCSA-N	-1	0	288.303	0.595	20	30		CCEDRM
C#CC[C@@H](NC(=O)c1cncc(OCCOC)c1)C(=O)[O-]	ZINC000910050601	613042290	/nfs/dbraw/zinc/04/22/90/613042290.db2.gz	LTUXWVFQOGRNGU-GFCCVEGCSA-N	-1	0	292.291	0.313	20	30		CCEDRM
C#CC[C@@H]1CCN(C(=O)c2c[nH]c3nc(=O)[n-]c(=O)c-3c2)C1	ZINC000862564018	613046959	/nfs/dbraw/zinc/04/69/59/613046959.db2.gz	QVDYTJPEPCNXEV-SECBINFHSA-N	-1	0	298.302	0.921	20	30		CCEDRM
C#CCCS(=O)(=O)[N-]C(=O)C1(C(F)F)CCC1	ZINC000870330723	613052531	/nfs/dbraw/zinc/05/25/31/613052531.db2.gz	HNJRXTUACYZHBB-UHFFFAOYSA-N	-1	0	265.281	0.891	20	30		CCEDRM
C#CCCS(=O)(=O)[N-]C(=O)C[C@@H](C)n1nc(C)cc1C	ZINC000810779684	613052982	/nfs/dbraw/zinc/05/29/82/613052982.db2.gz	XIKDYARALNDIEW-GFCCVEGCSA-N	-1	0	297.380	0.920	20	30		CCEDRM
C#CCCS(=O)(=O)[N-]C(=O)Cc1cscn1	ZINC000853122142	613052991	/nfs/dbraw/zinc/05/29/91/613052991.db2.gz	GFKUCAUZYDAMMC-UHFFFAOYSA-N	-1	0	258.324	0.155	20	30		CCEDRM
C#CCCS(=O)(=O)[N-]C(=O)[C@@H]1CCCOCC1	ZINC000810783049	613053114	/nfs/dbraw/zinc/05/31/14/613053114.db2.gz	CNTFXHDTRUNMDF-SNVBAGLBSA-N	-1	0	259.327	0.272	20	30		CCEDRM
C#CCCS(=O)(=O)[N-]C(=O)[C@H](CC(C)C)NC(C)=O	ZINC000810785514	613053323	/nfs/dbraw/zinc/05/33/23/613053323.db2.gz	KPPOFBVRIWWHPD-NSHDSACASA-N	-1	0	288.369	0.007	20	30		CCEDRM
C#CCCS(=O)(=O)[N-]C(=O)c1cc(C)c(C(=O)OC)o1	ZINC000860722547	613053515	/nfs/dbraw/zinc/05/35/15/613053515.db2.gz	YYMAAKIULZMECO-UHFFFAOYSA-N	-1	0	299.304	0.458	20	30		CCEDRM
C#CCCS(=O)(=O)[N-]C(=O)c1cc(Cl)cn1C	ZINC000810783608	613053595	/nfs/dbraw/zinc/05/35/95/613053595.db2.gz	WZKYSWWREQPAQH-UHFFFAOYSA-N	-1	0	274.729	0.761	20	30		CCEDRM
C#CCCS(=O)(=O)[N-]C(=O)c1cnc(COC)s1	ZINC000810785274	613053751	/nfs/dbraw/zinc/05/37/51/613053751.db2.gz	DUTVOCLVJIMCDV-UHFFFAOYSA-N	-1	0	288.350	0.372	20	30		CCEDRM
C#CCCS(=O)(=O)[N-]C(=O)c1cnn(C)c1SC	ZINC000810779264	613053840	/nfs/dbraw/zinc/05/38/40/613053840.db2.gz	GBMQBNINOGTFQU-UHFFFAOYSA-N	-1	0	287.366	0.225	20	30		CCEDRM
C#CCCS(=O)(=O)[N-]C(=O)c1cnc2n1[C@H](C)CCC2	ZINC000845543867	613053883	/nfs/dbraw/zinc/05/38/83/613053883.db2.gz	FLQBIRQQERHBAX-SNVBAGLBSA-N	-1	0	295.364	0.863	20	30		CCEDRM
C#CCC[C@H](O)CNC(=O)c1cc([O-])cc([N+](=O)[O-])c1	ZINC000799084206	613063351	/nfs/dbraw/zinc/06/33/51/613063351.db2.gz	WGNINPNRPMXPJS-NSHDSACASA-N	-1	0	278.264	0.805	20	30		CCEDRM
C#CCC[C@H](O)CNS(=O)(=O)c1ccccc1[O-]	ZINC000849391059	613064305	/nfs/dbraw/zinc/06/43/05/613064305.db2.gz	GPMCGAMHWUUSQH-JTQLQIEISA-N	-1	0	269.322	0.445	20	30		CCEDRM
C#CCN(C(=O)NCC(=O)[N-]OCC)C1CCCC1	ZINC000845544142	613066672	/nfs/dbraw/zinc/06/66/72/613066672.db2.gz	OLLQGYBGTYVOEY-UHFFFAOYSA-N	-1	0	267.329	0.642	20	30		CCEDRM
C#CC[C@H](NC(=O)Cn1nc(C)c(Cl)c1C)C(=O)[O-]	ZINC000910052895	613068236	/nfs/dbraw/zinc/06/82/36/613068236.db2.gz	JSWACJYKDQERTD-VIFPVBQESA-N	-1	0	283.715	0.746	20	30		CCEDRM
C#CC[C@H](NC(=O)[C@@H](C)OCc1ccncc1)C(=O)[O-]	ZINC000910051384	613068429	/nfs/dbraw/zinc/06/84/29/613068429.db2.gz	UCRILHPJNCXDHJ-PWSUYJOCSA-N	-1	0	276.292	0.579	20	30		CCEDRM
C#CC[C@H](NC(=O)c1ccnc(OCCOC)c1)C(=O)[O-]	ZINC000910045521	613070351	/nfs/dbraw/zinc/07/03/51/613070351.db2.gz	FEKGRTBEKAZGTA-NSHDSACASA-N	-1	0	292.291	0.313	20	30		CCEDRM
C#CC[C@H](NC(=O)c1cnn(CC)c1C1CC1)C(=O)[O-]	ZINC000910049489	613070620	/nfs/dbraw/zinc/07/06/20/613070620.db2.gz	VUCAECOJILEATK-NSHDSACASA-N	-1	0	275.308	0.987	20	30		CCEDRM
C#CC[C@H](NC(=O)c1cncc(OC)c1C)C(=O)[O-]	ZINC000910050386	613070621	/nfs/dbraw/zinc/07/06/21/613070621.db2.gz	JHHKPPHDLPMJIP-JTQLQIEISA-N	-1	0	262.265	0.605	20	30		CCEDRM
C#CC[C@H](NC(=O)c1ncn(C(C)(C)C)n1)C(=O)[O-]	ZINC000910046401	613070787	/nfs/dbraw/zinc/07/07/87/613070787.db2.gz	OFZVKFVKTWHJQE-QMMMGPOBSA-N	-1	0	264.285	0.239	20	30		CCEDRM
C#CC[C@H](NC(=O)c1ocnc1C(F)F)C(=O)[O-]	ZINC000910049102	613070834	/nfs/dbraw/zinc/07/08/34/613070834.db2.gz	SHQVWHHLQPXMMC-YFKPBYRVSA-N	-1	0	258.180	0.819	20	30		CCEDRM
C#C[C@@H](NC(=O)[C@H]1CC[C@H]1C(=O)[O-])[C@H]1CCCO1	ZINC000911581210	613098623	/nfs/dbraw/zinc/09/86/23/613098623.db2.gz	WMUOVFDOIYSNHZ-LNFKQOIKSA-N	-1	0	251.282	0.394	20	30		CCEDRM
C#C[C@@H](NC(=O)c1ccc(C(=O)[O-])c(C)n1)[C@@H]1CCCO1	ZINC000911579794	613098980	/nfs/dbraw/zinc/09/89/80/613098980.db2.gz	PUFYHLLUASLCNQ-YPMHNXCESA-N	-1	0	288.303	0.999	20	30		CCEDRM
C#CCN(CC#CC)C(=O)[C@@H]1C[C@H](C)[C@@H](C(=O)[O-])O1	ZINC000864110947	613100231	/nfs/dbraw/zinc/10/02/31/613100231.db2.gz	NDFWOCHDQHMMAR-SRVKXCTJSA-N	-1	0	263.293	0.350	20	30		CCEDRM
C#C[C@@H]1CCCN(C(=O)CSc2n[nH]c(=O)[n-]2)C1	ZINC000848278212	613104018	/nfs/dbraw/zinc/10/40/18/613104018.db2.gz	GCERVFDYDUZZDR-MRVPVSSYSA-N	-1	0	266.326	0.474	20	30		CCEDRM
C#C[C@H](NC(=O)[C@H](CC)C(=O)[O-])C1CCOCC1	ZINC000911790317	613147181	/nfs/dbraw/zinc/14/71/81/613147181.db2.gz	JINZWTLPCLFZRH-QWRGUYRKSA-N	-1	0	253.298	0.642	20	30		CCEDRM
C#C[C@H](NC(=O)c1ccnc(C(=O)[O-])c1)[C@@H]1CCCO1	ZINC000911577945	613149301	/nfs/dbraw/zinc/14/93/01/613149301.db2.gz	GEUJDDSNSLVNNN-JQWIXIFHSA-N	-1	0	274.276	0.690	20	30		CCEDRM
C#Cc1ccc(C(=O)N2CCC(c3n[nH]c(=O)[n-]3)CC2)cn1	ZINC000843874796	613167997	/nfs/dbraw/zinc/16/79/97/613167997.db2.gz	HXPSNNPBABRCPE-UHFFFAOYSA-N	-1	0	297.318	0.906	20	30		CCEDRM
C#Cc1ccc(C(=O)N2CC[C@@](O)(C(=O)[O-])C2)cc1	ZINC000910524649	613173473	/nfs/dbraw/zinc/17/34/73/613173473.db2.gz	FWLWQVBBWOJXIX-AWEZNQCLSA-N	-1	0	259.261	0.330	20	30		CCEDRM
C#Cc1ccc(C(=O)N2C[C@@H](C)O[C@H](C(=O)[O-])C2)cc1	ZINC000910227828	613174790	/nfs/dbraw/zinc/17/47/90/613174790.db2.gz	ONWAVBZULYWLQJ-MFKMUULPSA-N	-1	0	273.288	0.982	20	30		CCEDRM
C#Cc1ccc(C(=O)NCC2(C(=O)[O-])CCOCC2)nc1	ZINC000833368073	613177709	/nfs/dbraw/zinc/17/77/09/613177709.db2.gz	FFWGHXCUKBOYSM-UHFFFAOYSA-N	-1	0	288.303	0.674	20	30		CCEDRM
C#Cc1ccc(CNC(=O)CCCc2nnn[n-]2)cc1	ZINC000823258870	613193020	/nfs/dbraw/zinc/19/30/20/613193020.db2.gz	UZOORGHGKNNWNS-UHFFFAOYSA-N	-1	0	269.308	0.820	20	30		CCEDRM
C#Cc1cccc(NC(=O)CNC(=O)CCCC(=O)[O-])c1	ZINC000833368866	613203594	/nfs/dbraw/zinc/20/35/94/613203594.db2.gz	WONDMFZJQMZLIC-UHFFFAOYSA-N	-1	0	288.303	0.978	20	30		CCEDRM
C#Cc1cncc(C(=O)N2CC[C@@H](OC)C[C@H]2C(=O)[O-])c1	ZINC000909982948	613214782	/nfs/dbraw/zinc/21/47/82/613214782.db2.gz	OFLTYQANMOUGBC-OLZOCXBDSA-N	-1	0	288.303	0.767	20	30		CCEDRM
C=C(C)C(C)(C)C(=O)N1CCN(Cc2n[nH]c(=O)[n-]2)CC1	ZINC000949627391	613241231	/nfs/dbraw/zinc/24/12/31/613241231.db2.gz	CSTRLROJFKFHLX-UHFFFAOYSA-N	-1	0	293.371	0.757	20	30		CCEDRM
C#CCNC(=O)C1CCN(C(=O)C[C@H](C)NC(=O)[O-])CC1	ZINC000823455463	613322971	/nfs/dbraw/zinc/32/29/71/613322971.db2.gz	CSADWICOAUKQHR-JTQLQIEISA-N	-1	0	295.339	0.021	20	30		CCEDRM
C=C(C)COCCNC(=O)CC[C@@H]1C[C@H](C(=O)[O-])CO1	ZINC000872722857	613351929	/nfs/dbraw/zinc/35/19/29/613351929.db2.gz	VRFZTWBGABSUPM-NWDGAFQWSA-N	-1	0	285.340	0.965	20	30		CCEDRM
C=C(C)CO[N-]C(=O)[C@@H]1CSCN1C(=O)CC	ZINC000846538302	613353759	/nfs/dbraw/zinc/35/37/59/613353759.db2.gz	HDBABTSOCFQPCY-VIFPVBQESA-N	-1	0	258.343	0.922	20	30		CCEDRM
C=C(C)CO[N-]C(=O)[C@@H]1CC[C@H](CN2CCOCC2)O1	ZINC000824028682	613353850	/nfs/dbraw/zinc/35/38/50/613353850.db2.gz	PEJWJXBICQDDRD-OLZOCXBDSA-N	-1	0	284.356	0.490	20	30		CCEDRM
C=C(C)CO[N-]C(=O)[C@H]1CSCN1C(=O)CC	ZINC000846538300	613353859	/nfs/dbraw/zinc/35/38/59/613353859.db2.gz	HDBABTSOCFQPCY-SECBINFHSA-N	-1	0	258.343	0.922	20	30		CCEDRM
C=C(C)CS(=O)(=O)N[C@H](Cc1cncs1)C(=O)[O-]	ZINC000871770649	613354329	/nfs/dbraw/zinc/35/43/29/613354329.db2.gz	GIOZSAHFIVWNOR-SECBINFHSA-N	-1	0	290.366	0.634	20	30		CCEDRM
C=C(C)C[C@@H](NC(=O)[C@H](C)N1CCSCC1)C(=O)[O-]	ZINC000910292743	613355951	/nfs/dbraw/zinc/35/59/51/613355951.db2.gz	IBKWNOBXQBYFHO-WDEREUQCSA-N	-1	0	286.397	0.959	20	30		CCEDRM
C=C(C)C[C@@H](NC(=O)[C@H]1CCc2nccn2C1)C(=O)[O-]	ZINC000910286010	613356071	/nfs/dbraw/zinc/35/60/71/613356071.db2.gz	DUULVOUEDYRFIU-WDEREUQCSA-N	-1	0	277.324	0.981	20	30		CCEDRM
C=C(C)C[C@H](CO)NS(=O)(=O)c1cscn1	ZINC000882845868	613358552	/nfs/dbraw/zinc/35/85/52/613358552.db2.gz	YWKMKESHVSPHSL-MRVPVSSYSA-N	-1	0	262.356	0.749	20	30		CCEDRM
C=C(C)C[C@H](NC(=O)[C@H]1CCc2nccn2C1)C(=O)[O-]	ZINC000910286008	613359045	/nfs/dbraw/zinc/35/90/45/613359045.db2.gz	DUULVOUEDYRFIU-QWRGUYRKSA-N	-1	0	277.324	0.981	20	30		CCEDRM
C=C(C)C[C@H](NC(C)=O)C(=O)[N-]OCC(F)F	ZINC000832185239	613359431	/nfs/dbraw/zinc/35/94/31/613359431.db2.gz	FJELHXDEFHYJRS-QMMMGPOBSA-N	-1	0	250.245	0.770	20	30		CCEDRM
C=C(C)[C@@H]1OCC[C@@H]1C(=O)[N-]OCCN1CCCC1=O	ZINC000912628387	613361474	/nfs/dbraw/zinc/36/14/74/613361474.db2.gz	AHJDXTDOJHUHAD-AAEUAGOBSA-N	-1	0	282.340	0.638	20	30		CCEDRM
C=C(C)[C@H](CC(=O)NCC(=O)[N-]OCC)OCC	ZINC000846493499	613362235	/nfs/dbraw/zinc/36/22/35/613362235.db2.gz	IFDFMBPRGPEIDJ-JTQLQIEISA-N	-1	0	258.318	0.542	20	30		CCEDRM
C=C(C)[C@H](CC(=O)N[C@@H]1CCCN(O)C1=O)OCC	ZINC000848134950	613362220	/nfs/dbraw/zinc/36/22/20/613362220.db2.gz	GVQIHTDRZWWTKQ-MNOVXSKESA-N	-1	0	270.329	0.854	20	30		CCEDRM
C=C(Cl)C[C@@H](NC(=O)NCCn1ccnc1)C(=O)[O-]	ZINC000908753643	613388573	/nfs/dbraw/zinc/38/85/73/613388573.db2.gz	KFJVRUUUMKCSSM-SECBINFHSA-N	-1	0	286.719	0.778	20	30		CCEDRM
C=C(Cl)C[C@@H](NC(=O)c1cn(C)nc1OC)C(=O)[O-]	ZINC000910269298	613388668	/nfs/dbraw/zinc/38/86/68/613388668.db2.gz	ABJCIECGKWDISE-MRVPVSSYSA-N	-1	0	287.703	0.754	20	30		CCEDRM
C=C(Cl)C[C@H](NS(=O)(=O)c1c[nH]cn1)C(=O)[O-]	ZINC000863421226	613390914	/nfs/dbraw/zinc/39/09/14/613390914.db2.gz	PXQDSPTTWKSIKN-LURJTMIESA-N	-1	0	279.705	0.284	20	30		CCEDRM
C=C(Cl)Cn1cnc2c(cnn2CC(=O)[O-])c1=O	ZINC000825647930	613391140	/nfs/dbraw/zinc/39/11/40/613391140.db2.gz	XIOWLWUMDUREFJ-UHFFFAOYSA-N	-1	0	268.660	0.430	20	30		CCEDRM
C=CCSCCNC(=O)C(=O)[N-]OC1CCOCC1	ZINC000803209733	613395315	/nfs/dbraw/zinc/39/53/15/613395315.db2.gz	XURWBODIICFBAS-UHFFFAOYSA-N	-1	0	288.369	0.249	20	30		CCEDRM
C=CC[C@@H](CO)CNC(=O)c1ccoc1CC(=O)[O-]	ZINC000911651586	613402690	/nfs/dbraw/zinc/40/26/90/613402690.db2.gz	RUKWCIOPUURZKV-SECBINFHSA-N	-1	0	267.281	0.821	20	30		CCEDRM
C=CC[C@@H](NS(=O)(=O)CC[C@@H]1CCOC1)C(=O)[O-]	ZINC000830081400	613406171	/nfs/dbraw/zinc/40/61/71/613406171.db2.gz	OROMAGIEFGPZQY-VHSXEESVSA-N	-1	0	277.342	0.362	20	30		CCEDRM
C=CC[C@H](CO)CNC(=O)c1cnc(C(=O)[O-])cn1	ZINC000833371820	613416344	/nfs/dbraw/zinc/41/63/44/613416344.db2.gz	WZWJYHUQDGEMGQ-QMMMGPOBSA-N	-1	0	265.269	0.089	20	30		CCEDRM
C=CC[C@H]1CCN1C(=O)CSc1n[nH]c(=O)[n-]1	ZINC000890551314	613422315	/nfs/dbraw/zinc/42/23/15/613422315.db2.gz	ACFVSZPIYGOBRO-ZETCQYMHSA-N	-1	0	254.315	0.779	20	30		CCEDRM
C=CCn1c(=O)[nH]nc1SC[C@H](O)CC(=O)[O-]	ZINC000825710825	613424472	/nfs/dbraw/zinc/42/44/72/613424472.db2.gz	CLVMTIJSOLBRAB-ZCFIWIBFSA-N	-1	0	259.287	0.097	20	30		CCEDRM
C=CCn1cc(C(=O)[N-]S(=O)(=O)CC2CCC2)nn1	ZINC000842740474	613429513	/nfs/dbraw/zinc/42/95/13/613429513.db2.gz	DLXVACQIGSSBPO-UHFFFAOYSA-N	-1	0	284.341	0.324	20	30		CCEDRM
C=CCn1cc(C(=O)N[C@H](CSC)C(=O)[O-])nn1	ZINC000910872266	613431302	/nfs/dbraw/zinc/43/13/02/613431302.db2.gz	RFUFYSYHTVOHQS-MRVPVSSYSA-N	-1	0	270.314	0.010	20	30		CCEDRM
C=CCn1cc(C([O-])=C(C#N)C(=O)NC(C)C)nn1	ZINC000842690555	613433828	/nfs/dbraw/zinc/43/38/28/613433828.db2.gz	XSEWZGNTGFPITO-SECBINFHSA-N	-1	0	261.285	0.311	20	30		CCEDRM
C=CCn1nnn(CN2CC[C@@H](C(=O)[O-])C2)c1=S	ZINC000817690090	613439167	/nfs/dbraw/zinc/43/91/67/613439167.db2.gz	OAVDIAOCYOMIMG-MRVPVSSYSA-N	-1	0	269.330	0.359	20	30		CCEDRM
C=C[C@@H](C)O[N-]C(=O)C(=O)Nc1ccn(CC(F)F)n1	ZINC000846154875	613443307	/nfs/dbraw/zinc/44/33/07/613443307.db2.gz	QLTRNZVQQQMIKJ-SSDOTTSWSA-N	-1	0	288.254	0.709	20	30		CCEDRM
C=CC(C)(C)C(=O)N[C@@H](C)C(=O)N[C@H](C)C(=O)[O-]	ZINC000910749188	613444537	/nfs/dbraw/zinc/44/45/37/613444537.db2.gz	WIIRGWPKTHYHEM-JGVFFNPUSA-N	-1	0	256.302	0.293	20	30		CCEDRM
C=CC1(S(=O)(=O)[N-]C(=O)COC(C)(C)C)CC1	ZINC000870835111	613450412	/nfs/dbraw/zinc/45/04/12/613450412.db2.gz	CEPAYUPHRUMRTI-UHFFFAOYSA-N	-1	0	261.343	0.966	20	30		CCEDRM
C=CC1(S(=O)(=O)[N-]C(=O)Cc2ccccc2N)CC1	ZINC000901058874	613450758	/nfs/dbraw/zinc/45/07/58/613450758.db2.gz	HHNFQTRCQHVHRJ-UHFFFAOYSA-N	-1	0	280.349	0.976	20	30		CCEDRM
C=CC1(S(=O)(=O)[N-]C(=O)Cc2cncnc2)CC1	ZINC000870837942	613450839	/nfs/dbraw/zinc/45/08/39/613450839.db2.gz	FSZKYESKDLPIEB-UHFFFAOYSA-N	-1	0	267.310	0.184	20	30		CCEDRM
C=CC1(S(=O)(=O)[N-]C(=O)[C@H](C)c2cnn(C)c2)CC1	ZINC000870835034	613451713	/nfs/dbraw/zinc/45/17/13/613451713.db2.gz	YZYOSVUSEWWURE-SECBINFHSA-N	-1	0	283.353	0.688	20	30		CCEDRM
C=CC1(S(=O)(=O)[N-]C(=O)c2cnn(CC)c2)CC1	ZINC000870833770	613452179	/nfs/dbraw/zinc/45/21/79/613452179.db2.gz	CFMBVQVASHUUHA-UHFFFAOYSA-N	-1	0	269.326	0.681	20	30		CCEDRM
C=CC1(S(=O)(=O)[N-]C(=O)c2cnc(OC)nc2)CC1	ZINC000870834592	613452214	/nfs/dbraw/zinc/45/22/14/613452214.db2.gz	JFAGDSLBLVRUKP-UHFFFAOYSA-N	-1	0	283.309	0.263	20	30		CCEDRM
C=CC1(S(=O)(=O)[N-]C(=O)c2cnc(OCC)cn2)CC1	ZINC000870835936	613452249	/nfs/dbraw/zinc/45/22/49/613452249.db2.gz	OAHPZPKUZSYGFU-UHFFFAOYSA-N	-1	0	297.336	0.654	20	30		CCEDRM
C=CC1CCN(C(=O)[C@H]2C[C@@H](O)CN2C(=O)[O-])CC1	ZINC000823491539	613452626	/nfs/dbraw/zinc/45/26/26/613452626.db2.gz	WTHAAUDCBBYROE-GHMZBOCLSA-N	-1	0	268.313	0.524	20	30		CCEDRM
C=CCC1(C(=O)[O-])CN(S(=O)(=O)c2ccnn2CC)C1	ZINC000906006852	613457010	/nfs/dbraw/zinc/45/70/10/613457010.db2.gz	KOJMYMYEPLYUDL-UHFFFAOYSA-N	-1	0	299.352	0.554	20	30		CCEDRM
C=CCC1(S(=O)(=O)[N-]C(=O)COCC2CC2)CC1	ZINC000810983786	613460804	/nfs/dbraw/zinc/46/08/04/613460804.db2.gz	ZDUMWGOCCBVZGG-UHFFFAOYSA-N	-1	0	273.354	0.968	20	30		CCEDRM
C=CCC1(S(=O)(=O)[N-]C(=O)[C@@H]2C[C@H]2OCC)CC1	ZINC000810986454	613461301	/nfs/dbraw/zinc/46/13/01/613461301.db2.gz	AGKATFIZNUDXLQ-NXEZZACHSA-N	-1	0	273.354	0.966	20	30		CCEDRM
C=CCCCS(=O)(=O)N1CCC[C@@](OC)(C(=O)[O-])C1	ZINC000871773523	613468655	/nfs/dbraw/zinc/46/86/55/613468655.db2.gz	XUHFJXWXYNIJFP-LBPRGKRZSA-N	-1	0	291.369	0.848	20	30		CCEDRM
C=CCCCS(=O)(=O)[N-]c1cc(C(=O)OC)n(C)n1	ZINC000863449742	613469808	/nfs/dbraw/zinc/46/98/08/613469808.db2.gz	WWGYMOKEBKAVFV-UHFFFAOYSA-N	-1	0	287.341	0.915	20	30		CCEDRM
C=CCCC[C@@H](NS(=O)(=O)C1(COC)CC1)C(=O)[O-]	ZINC000903058620	613471574	/nfs/dbraw/zinc/47/15/74/613471574.db2.gz	IMEJFLGVZNRBGA-SNVBAGLBSA-N	-1	0	291.369	0.894	20	30		CCEDRM
C=CCCC[C@H](NC(=O)Cn1cncn1)C(=O)[O-]	ZINC000910914189	613473164	/nfs/dbraw/zinc/47/31/64/613473164.db2.gz	CZRTVYCVWXYCES-VIFPVBQESA-N	-1	0	252.274	0.204	20	30		CCEDRM
C=CCCC[C@H](NC(=O)c1ccnn1C)C(=O)[O-]	ZINC000910919248	613474337	/nfs/dbraw/zinc/47/43/37/613474337.db2.gz	VLODNUVGQFPGND-VIFPVBQESA-N	-1	0	251.286	0.959	20	30		CCEDRM
C=CCCC[C@H](NS(=O)(=O)C[C@H]1CCCO1)C(=O)[O-]	ZINC000903059130	613474829	/nfs/dbraw/zinc/47/48/29/613474829.db2.gz	NGXHVIKUCAHFST-MNOVXSKESA-N	-1	0	291.369	0.894	20	30		CCEDRM
C=C[C@@](C)(O)C(=O)NCCc1nc(C(=O)[O-])cs1	ZINC000909796023	613478598	/nfs/dbraw/zinc/47/85/98/613478598.db2.gz	LNJSCZBKTRUTAH-LLVKDONJSA-N	-1	0	270.310	0.437	20	30		CCEDRM
C=C[C@@](C)(O)C(=O)[N-]OC[C@H](C)NC(=O)OC(C)(C)C	ZINC000857165746	613479037	/nfs/dbraw/zinc/47/90/37/613479037.db2.gz	AFXHMZNLPQNDOR-TVQRCGJNSA-N	-1	0	288.344	0.884	20	30		CCEDRM
C=C[C@@](C)(O)C(=O)NCc1ccc(C(=O)[O-])cn1	ZINC000911732741	613479156	/nfs/dbraw/zinc/47/91/56/613479156.db2.gz	XLWAZZIDTSSUJG-GFCCVEGCSA-N	-1	0	250.254	0.333	20	30		CCEDRM
C=C[C@H](C)O[N-]C(=O)C(=O)Nc1c2c(nn1C)CCC2	ZINC000846154391	613483667	/nfs/dbraw/zinc/48/36/67/613483667.db2.gz	QHWQSYJWUUETKE-QMMMGPOBSA-N	-1	0	278.312	0.470	20	30		CCEDRM
C=C[C@H](CCC(=O)[O-])NS(=O)(=O)CC[C@@H]1CCOC1	ZINC000871741569	613490014	/nfs/dbraw/zinc/49/00/14/613490014.db2.gz	BLMAOZTVLLEENQ-WDEREUQCSA-N	-1	0	291.369	0.752	20	30		CCEDRM
C=C[C@H](O)C(=O)NC[C@H](C(=O)[O-])c1ccc(C)cc1	ZINC000909251488	613495996	/nfs/dbraw/zinc/49/59/96/613495996.db2.gz	YEUBAGJBFWHFKR-RYUDHWBXSA-N	-1	0	263.293	0.826	20	30		CCEDRM
C=C[C@H](O)C(=O)N[C@H](C(=O)[O-])[C@@H]1CCC[C@@H](OC)C1	ZINC000909911973	613497543	/nfs/dbraw/zinc/49/75/43/613497543.db2.gz	FOOCWYUWTGNVAH-ZNSHCXBVSA-N	-1	0	271.313	0.308	20	30		CCEDRM
CC#CCCCC(=O)[N-]S(=O)(=O)c1c(C)cnn1C	ZINC000813990713	613520350	/nfs/dbraw/zinc/52/03/50/613520350.db2.gz	PCFMOFXWHZXFSI-UHFFFAOYSA-N	-1	0	283.353	0.727	20	30		CCEDRM
CC#CCN(C)C(=O)Cc1cc(=O)n(CC(C)C)[n-]1	ZINC000820820980	613523604	/nfs/dbraw/zinc/52/36/04/613523604.db2.gz	VWMSYKMLRYPEMS-UHFFFAOYSA-N	-1	0	263.341	0.857	20	30		CCEDRM
C=CCCOCC(=O)[N-]S(=O)(=O)CCOC(C)(C)C	ZINC000835921609	613572663	/nfs/dbraw/zinc/57/26/63/613572663.db2.gz	ZIJJDYGRASAALZ-UHFFFAOYSA-N	-1	0	293.385	0.840	20	30		CCEDRM
C=CCCOCC(=O)[N-]S(=O)(=O)C[C@H]1CCCOC1	ZINC000802999532	613572851	/nfs/dbraw/zinc/57/28/51/613572851.db2.gz	CBRBSYAIFHBDBE-NSHDSACASA-N	-1	0	291.369	0.452	20	30		CCEDRM
C=CCCO[N-]C(=O)CN(C)S(=O)(=O)c1ccccc1	ZINC000856029799	613576187	/nfs/dbraw/zinc/57/61/87/613576187.db2.gz	DNWNQPAEYCIAPB-UHFFFAOYSA-N	-1	0	298.364	0.931	20	30		CCEDRM
C=CCCO[N-]C(=O)CSc1nnc(CCC)n1N	ZINC000856036192	613576583	/nfs/dbraw/zinc/57/65/83/613576583.db2.gz	VGIMHKVWXXPWAH-UHFFFAOYSA-N	-1	0	285.373	0.660	20	30		CCEDRM
C=CCCO[N-]C(=O)[C@H](C)n1cnc2c1ncnc2N	ZINC000856027262	613577057	/nfs/dbraw/zinc/57/70/57/613577057.db2.gz	GCJGXGWHABBWIB-QMMMGPOBSA-N	-1	0	276.300	0.593	20	30		CCEDRM
C=CCCO[C@H](C)C(=O)NCCn1cnc(C(=O)[O-])c1	ZINC000909912975	613579415	/nfs/dbraw/zinc/57/94/15/613579415.db2.gz	PWKGHHDBEKDWPE-SNVBAGLBSA-N	-1	0	281.312	0.679	20	30		CCEDRM
C=CCCS(=O)(=O)N1CC[C@@H](OC)C[C@@H]1C(=O)[O-]	ZINC000833375056	613580556	/nfs/dbraw/zinc/58/05/56/613580556.db2.gz	UQWZCDDWARXTFZ-NXEZZACHSA-N	-1	0	277.342	0.456	20	30		CCEDRM
C=CCCS(=O)(=O)N1CCC[C@@H]2C[C@@]21C(=O)[O-]	ZINC000926604224	613580657	/nfs/dbraw/zinc/58/06/57/613580657.db2.gz	BPFVWZZZJPWSCO-KOLCDFICSA-N	-1	0	259.327	0.831	20	30		CCEDRM
C=CCCS(=O)(=O)N1CCC(CNC(=O)[O-])CC1	ZINC000823501173	613580660	/nfs/dbraw/zinc/58/06/60/613580660.db2.gz	RQGLJUHFXRTYRF-UHFFFAOYSA-N	-1	0	276.358	0.872	20	30		CCEDRM
C=CCCS(=O)(=O)N1CCN(CCC(=O)[O-])C[C@H]1C	ZINC000833375112	613580768	/nfs/dbraw/zinc/58/07/68/613580768.db2.gz	WUQNDZXYRCQZQG-LLVKDONJSA-N	-1	0	290.385	0.373	20	30		CCEDRM
C=CCCS(=O)(=O)N1CCN([C@H](C)CC(=O)[O-])CC1	ZINC000825675996	613580796	/nfs/dbraw/zinc/58/07/96/613580796.db2.gz	NOQHGRBSZMUXCH-LLVKDONJSA-N	-1	0	290.385	0.373	20	30		CCEDRM
C=CCC[C@@H](NC(=O)[C@@H]1CCc2nnn(C)c2C1)C(=O)[O-]	ZINC000909713596	613585187	/nfs/dbraw/zinc/58/51/87/613585187.db2.gz	GMOIQBCZWXPZSW-MWLCHTKSSA-N	-1	0	292.339	0.456	20	30		CCEDRM
C=CCC[C@@H](NC(=O)[C@@H](C)N1CCSCC1)C(=O)[O-]	ZINC000909713017	613585233	/nfs/dbraw/zinc/58/52/33/613585233.db2.gz	CWBGUKQIEIPBDG-GHMZBOCLSA-N	-1	0	286.397	0.959	20	30		CCEDRM
C=CCC[C@@H](NC(=O)c1coc(CO)c1)C(=O)[O-]	ZINC000909714488	613585651	/nfs/dbraw/zinc/58/56/51/613585651.db2.gz	XPYXZVYIHDQVGQ-SNVBAGLBSA-N	-1	0	253.254	0.921	20	30		CCEDRM
C=CCC[C@H](NC(=O)C1(COC)CCOCC1)C(=O)[O-]	ZINC000909713558	613589493	/nfs/dbraw/zinc/58/94/93/613589493.db2.gz	RLWGDYZFFWCVOO-NSHDSACASA-N	-1	0	285.340	0.965	20	30		CCEDRM
C=CCC[C@H](NC(=O)CCc1cn[nH]c1)C(=O)[O-]	ZINC000909713511	613589563	/nfs/dbraw/zinc/58/95/63/613589563.db2.gz	FPYOFUJNKGOCBA-JTQLQIEISA-N	-1	0	251.286	0.878	20	30		CCEDRM
C=CCN(C(=O)Cn1[n-]cc2c(=O)ncnc1-2)C(C)(C)C	ZINC000857650683	613605301	/nfs/dbraw/zinc/60/53/01/613605301.db2.gz	CMEFFDZYESZTOT-UHFFFAOYSA-N	-1	0	289.339	0.884	20	30		CCEDRM
C=CCN(CC(=O)[O-])Cc1cc2c(cn1)OCCO2	ZINC000901585789	613643646	/nfs/dbraw/zinc/64/36/46/613643646.db2.gz	IJPASSSMUTWZMR-UHFFFAOYSA-N	-1	0	264.281	0.925	20	30		CCEDRM
C=CCN(CC(=O)[O-])c1ncnc2c1ncn2CC	ZINC000910402512	613644075	/nfs/dbraw/zinc/64/40/75/613644075.db2.gz	OJDZYYDJYDUPEB-UHFFFAOYSA-N	-1	0	261.285	0.923	20	30		CCEDRM
C=CCN(CC(=O)[O-])S(=O)(=O)c1ccnn1C1CCC1	ZINC000926474942	613644172	/nfs/dbraw/zinc/64/41/72/613644172.db2.gz	WLLMDGVZLAKRBX-UHFFFAOYSA-N	-1	0	299.352	0.869	20	30		CCEDRM
C=CCN(CC(=O)[O-])c1cc(N2CCOCC2)ncn1	ZINC000910401864	613644367	/nfs/dbraw/zinc/64/43/67/613644367.db2.gz	JRTDEOXHKSOJHY-UHFFFAOYSA-N	-1	0	278.312	0.390	20	30		CCEDRM
C=CCN(CC(=O)[O-])c1nc(CCOC)ns1	ZINC000910401917	613644431	/nfs/dbraw/zinc/64/44/31/613644431.db2.gz	LFWXIJQUFLGZKQ-UHFFFAOYSA-N	-1	0	257.315	0.804	20	30		CCEDRM
CC#CCS(=O)(=O)[N-]C(=O)[C@@H](C)Cc1ccco1	ZINC000850999202	613646293	/nfs/dbraw/zinc/64/62/93/613646293.db2.gz	ACIGKUAVCGRMNP-JTQLQIEISA-N	-1	0	269.322	0.928	20	30		CCEDRM
CC#CCS(=O)(=O)[N-]C(=O)[C@H](C)c1c(C)noc1C	ZINC000810778622	613646932	/nfs/dbraw/zinc/64/69/32/613646932.db2.gz	GEXFXLSPDSNCNY-MRVPVSSYSA-N	-1	0	284.337	0.864	20	30		CCEDRM
CC#CCS(=O)(=O)[N-]C(=O)c1cnn(C(F)F)c1	ZINC000870330208	613648045	/nfs/dbraw/zinc/64/80/45/613648045.db2.gz	AMMPWGXNHMSOSZ-UHFFFAOYSA-N	-1	0	277.252	0.361	20	30		CCEDRM
C=CCN(CN1C[C@H]2CN(C(=O)[O-])CCN2C1=O)C1CC1	ZINC000833788034	613651343	/nfs/dbraw/zinc/65/13/43/613651343.db2.gz	LMAKGFGFCUTDGB-GFCCVEGCSA-N	-1	0	294.355	0.694	20	30		CCEDRM
C=CCN1C(=O)C(=NNCCC(=O)[O-])c2ccccc21	ZINC000819713335	613651592	/nfs/dbraw/zinc/65/15/92/613651592.db2.gz	JZIFTUYSNYIGHA-UHFFFAOYSA-N	-1	0	273.292	0.988	20	30		CCEDRM
CC(=NNCC(=O)[O-])c1ccc(NS(C)(=O)=O)cc1	ZINC000814958420	613654532	/nfs/dbraw/zinc/65/45/32/613654532.db2.gz	RBDGUCQMZBVCOC-UHFFFAOYSA-N	-1	0	285.325	0.456	20	30		CCEDRM
CC(=NNCC(=O)[O-])[C@H]1CN(Cc2ccccc2)CCO1	ZINC000814959746	613654553	/nfs/dbraw/zinc/65/45/53/613654553.db2.gz	BDDNSXJUYPZHOV-CQSZACIVSA-N	-1	0	291.351	0.938	20	30		CCEDRM
CC(=NNCCC(=O)[O-])c1ccc(NS(C)(=O)=O)cc1	ZINC000819727004	613655147	/nfs/dbraw/zinc/65/51/47/613655147.db2.gz	YGMNXZHWZYONRM-UHFFFAOYSA-N	-1	0	299.352	0.846	20	30		CCEDRM
CC(=NNC[C@@H](C)O)c1ccc([O-])c([N+](=O)[O-])c1	ZINC000814965428	613655871	/nfs/dbraw/zinc/65/58/71/613655871.db2.gz	AOVQDOBUWIYHFA-SSDOTTSWSA-N	-1	0	253.258	0.995	20	30		CCEDRM
CC(=NN[C@H](C)CO)c1cccc(-c2nn[nH]n2)c1	ZINC000819772591	613656811	/nfs/dbraw/zinc/65/68/11/613656811.db2.gz	HCTGEIISOMFCNC-MRVPVSSYSA-N	-1	0	260.301	0.561	20	30		CCEDRM
CC(N=Nc1nccnc1Cl)c1cn(CC(=O)[O-])nn1	ZINC000825809505	613657705	/nfs/dbraw/zinc/65/77/05/613657705.db2.gz	XYLGMNZPAFMOEA-UHFFFAOYSA-N	-1	0	295.690	0.642	20	30		CCEDRM
CC(=O)CC1(C(=O)N[C@@H]2CCN(O)C2=O)CCC1	ZINC000820144287	613667896	/nfs/dbraw/zinc/66/78/96/613667896.db2.gz	SMCJTVRIEQMTQM-SECBINFHSA-N	-1	0	254.286	0.242	20	30		CCEDRM
C=CCNS(=O)(=O)c1cc(C(=O)[O-])ccc1COC	ZINC000902971116	613860041	/nfs/dbraw/zinc/86/00/41/613860041.db2.gz	QQAQCHMECBJMCL-UHFFFAOYSA-N	-1	0	285.321	0.996	20	30		CCEDRM
C=CCOCCNC(=O)N1CCC[C@@H]2C[C@@]21C(=O)[O-]	ZINC000929009737	613880831	/nfs/dbraw/zinc/88/08/31/613880831.db2.gz	TZJDIAYNAMFQOW-MFKMUULPSA-N	-1	0	268.313	0.838	20	30		CCEDRM
C=CCOC[C@@H](NC(=O)NCCC#CC)C(=O)[O-]	ZINC000909030294	613881667	/nfs/dbraw/zinc/88/16/67/613881667.db2.gz	GHVUAYHXUVGSET-SNVBAGLBSA-N	-1	0	254.286	0.355	20	30		CCEDRM
C=CCOC[C@@H](NC(=O)C[C@H](C)COC)C(=O)[O-]	ZINC000909770913	613881648	/nfs/dbraw/zinc/88/16/48/613881648.db2.gz	MPYHORFVUZEJCZ-VHSXEESVSA-N	-1	0	259.302	0.431	20	30		CCEDRM
C=CCOC[C@@H](NC(=O)c1cn2ccnc2s1)C(=O)[O-]	ZINC000909769712	613881886	/nfs/dbraw/zinc/88/18/86/613881886.db2.gz	BJNDVSDXYBVIIT-MRVPVSSYSA-N	-1	0	295.320	0.781	20	30		CCEDRM
C=CCOC[C@@H](NC(=O)[C@H]1CCn2cncc2C1)C(=O)[O-]	ZINC000909767132	613881904	/nfs/dbraw/zinc/88/19/04/613881904.db2.gz	MNVACEHMRSVDNM-CMPLNLGQSA-N	-1	0	293.323	0.218	20	30		CCEDRM
C=CCOC[C@H]([N-]C(=O)C(F)(F)C(F)F)C(=O)OC	ZINC000797761121	613882200	/nfs/dbraw/zinc/88/22/00/613882200.db2.gz	DHDNHRFMKYXNIN-LURJTMIESA-N	-1	0	287.209	0.747	20	30		CCEDRM
C=CCOC[C@H](NC(=O)NC[C@H](C)C1CC1)C(=O)[O-]	ZINC000908894640	613882315	/nfs/dbraw/zinc/88/23/15/613882315.db2.gz	VSHCGZGSKQWGJU-ONGXEEELSA-N	-1	0	270.329	0.988	20	30		CCEDRM
C=CCOC[C@H](NC(=O)CN(C)c1ccccc1)C(=O)[O-]	ZINC000909771864	613882373	/nfs/dbraw/zinc/88/23/73/613882373.db2.gz	SHLWMWBFYHDTRN-ZDUSSCGKSA-N	-1	0	292.335	0.895	20	30		CCEDRM
C=CCO[N-]C(=O)[C@H]1CSCN1C(=O)OCC	ZINC000821891736	613884557	/nfs/dbraw/zinc/88/45/57/613884557.db2.gz	NPZDKRJSEIIYMO-MRVPVSSYSA-N	-1	0	260.315	0.752	20	30		CCEDRM
C=CCOc1ccccc1CNC(=O)[C@@H](OC)C(=O)[O-]	ZINC000901873640	613884834	/nfs/dbraw/zinc/88/48/34/613884834.db2.gz	SZZKVTXDMOMFQE-GFCCVEGCSA-N	-1	0	279.292	0.967	20	30		CCEDRM
C=CCS(=O)(=O)CCNCc1ccoc1C(=O)[O-]	ZINC000833377874	613885873	/nfs/dbraw/zinc/88/58/73/613885873.db2.gz	CYOUACLTSGTATP-UHFFFAOYSA-N	-1	0	273.310	0.668	20	30		CCEDRM
C=CCS(=O)(=O)[N-]C(=O)CCNC(=O)C(C)(C)C	ZINC000132804836	613886154	/nfs/dbraw/zinc/88/61/54/613886154.db2.gz	YGXVOLPSHOIFLJ-UHFFFAOYSA-N	-1	0	276.358	0.171	20	30		CCEDRM
C=CCS(=O)(=O)[N-]C(=O)[C@@H]1C[C@H]1OC(C)(C)C	ZINC000850913958	613886214	/nfs/dbraw/zinc/88/62/14/613886214.db2.gz	XQDLCHHIEWRKQG-RKDXNWHRSA-N	-1	0	261.343	0.822	20	30		CCEDRM
C=CCS(=O)(=O)[N-]C(=O)[C@@H](NC(C)=O)C(C)(C)C	ZINC000835253238	613886251	/nfs/dbraw/zinc/88/62/51/613886251.db2.gz	JGUCTKZEDLGSHB-SECBINFHSA-N	-1	0	276.358	0.169	20	30		CCEDRM
C=CCS(=O)(=O)[N-]C(=O)[C@@]12CCC[C@]1(OC)OCC2	ZINC000873514538	613886256	/nfs/dbraw/zinc/88/62/56/613886256.db2.gz	YAKUPUUECSBRMT-RYUDHWBXSA-N	-1	0	289.353	0.552	20	30		CCEDRM
CC(C)NC(=O)C(C#N)=C([O-])c1ccc2c(c1)nnn2C	ZINC000103799139	613930311	/nfs/dbraw/zinc/93/03/11/613930311.db2.gz	QXFSIFDUOKCTNU-JTQLQIEISA-N	-1	0	285.307	0.815	20	30		CCEDRM
CC(C)NC(=O)C(C#N)=C([O-])c1ccnc2c1ncn2C	ZINC000805856369	613930551	/nfs/dbraw/zinc/93/05/51/613930551.db2.gz	URADALSHFQYIEZ-JTQLQIEISA-N	-1	0	285.307	0.815	20	30		CCEDRM
CC(C)(C)[C@@H]1CC(N=NC2=NC(=O)C(=O)N2)CCO1	ZINC000872361004	614026005	/nfs/dbraw/zinc/02/60/05/614026005.db2.gz	JNXDWUXHSJCXDI-QMMMGPOBSA-N	-1	0	266.301	0.170	20	30		CCEDRM
CC(C)(C)n1cc(C(=O)[N-]S(=O)(=O)CCC#N)cn1	ZINC000821583902	614060148	/nfs/dbraw/zinc/06/01/48/614060148.db2.gz	KWZUHCVQEMCHDP-UHFFFAOYSA-N	-1	0	284.341	0.611	20	30		CCEDRM
CC(C)[C@@H]1CN(C(=O)[C@@](C)(C#N)CC(=O)[O-])CCO1	ZINC000819962068	614161364	/nfs/dbraw/zinc/16/13/64/614161364.db2.gz	JHHQTNGKEGTSCR-GXFFZTMASA-N	-1	0	268.313	0.874	20	30		CCEDRM
CC(C)C[C@@H](C(=O)N[C@@H]1CCN(O)C1=O)n1ccnc1	ZINC000820132311	614180263	/nfs/dbraw/zinc/18/02/63/614180263.db2.gz	PDYVBPKVKZNACA-MNOVXSKESA-N	-1	0	280.328	0.577	20	30		CCEDRM
CC(C)(O)CO[N-]C(=O)[C@@H](O)c1ccc(C#N)cc1	ZINC000834622005	614197197	/nfs/dbraw/zinc/19/71/97/614197197.db2.gz	PCCMJBTVLDAWLQ-NSHDSACASA-N	-1	0	264.281	0.410	20	30		CCEDRM
CC(C)[C@H](NC(=O)Nc1nn(C)cc1C#N)C(=O)[O-]	ZINC000817969428	614233670	/nfs/dbraw/zinc/23/36/70/614233670.db2.gz	NDQVBDISCMBMCB-QMMMGPOBSA-N	-1	0	265.273	0.522	20	30		CCEDRM
CC(C)Cn1nccc1C=Nn1c(=O)[n-][nH]c1=O	ZINC000842533543	614244597	/nfs/dbraw/zinc/24/45/97/614244597.db2.gz	NQJPXNGABMKZJU-UHFFFAOYSA-N	-1	0	250.262	0.424	20	30		CCEDRM
CC(C)[C@](C)(C#N)NC(=O)COC(=O)[C@@H](C)CC(=O)[O-]	ZINC000827335239	614286101	/nfs/dbraw/zinc/28/61/01/614286101.db2.gz	YTAKIXSKCIBFAT-ZANVPECISA-N	-1	0	284.312	0.695	20	30		CCEDRM
CC(C)[C@](C)(C#N)NC(=O)COC(=O)C[C@@H](C)NC(=O)[O-]	ZINC000824727436	614286246	/nfs/dbraw/zinc/28/62/46/614286246.db2.gz	HVWYSCKPPSKYEF-RNCFNFMXSA-N	-1	0	299.327	0.630	20	30		CCEDRM
CC(C)(C#N)OC(=O)c1ccc([N-]S(C)(=O)=O)nc1	ZINC000860605011	614288905	/nfs/dbraw/zinc/28/89/05/614288905.db2.gz	CBHFIHDPWOWDLP-UHFFFAOYSA-N	-1	0	283.309	0.912	20	30		CCEDRM
CC(C)n1cc(CN[C@H]2CCCN(O)C2=O)nn1	ZINC000895158884	614356277	/nfs/dbraw/zinc/35/62/77/614356277.db2.gz	PXCJFSQIQCSTMA-JTQLQIEISA-N	-1	0	253.306	0.329	20	30		CCEDRM
CCCCO[C@H](C)C(=O)N1CCN(C(=O)[O-])C[C@H]1C#N	ZINC000826842851	614454820	/nfs/dbraw/zinc/45/48/20/614454820.db2.gz	YCANLGBTXAXWDZ-GHMZBOCLSA-N	-1	0	283.328	0.906	20	30		CCEDRM
CCCn1cc(C=CC([O-])=C2C(=O)C=C(C)OC2=O)nn1	ZINC000865214520	614511403	/nfs/dbraw/zinc/51/14/03/614511403.db2.gz	UDMGMRSPARZKIR-DSYXLKISSA-N	-1	0	289.291	0.916	20	30		CCEDRM
CCN(C(=O)CN(CC#N)CC(=O)[O-])c1ccccc1	ZINC000829590699	614591115	/nfs/dbraw/zinc/59/11/15/614591115.db2.gz	BPDULTHXGKGQPB-UHFFFAOYSA-N	-1	0	275.308	0.950	20	30		CCEDRM
C[C@](C#N)(CC(=O)[O-])C(=O)NCCN1CCOC(C)(C)C1	ZINC000820211778	614655898	/nfs/dbraw/zinc/65/58/98/614655898.db2.gz	HFAZCZDOCHSNDS-CQSZACIVSA-N	-1	0	297.355	0.218	20	30		CCEDRM
CCCO[N-]C(=O)CNS(=O)(=O)c1cccc(C#N)c1	ZINC000844150598	614944200	/nfs/dbraw/zinc/94/42/00/614944200.db2.gz	QTCURDOZMXONMW-UHFFFAOYSA-N	-1	0	297.336	0.294	20	30		CCEDRM
CCN(CC)C(=O)CCC(=O)N(CC#N)CC(=O)[O-]	ZINC000829649011	614959347	/nfs/dbraw/zinc/95/93/47/614959347.db2.gz	XUMIWVMIKIQIIF-UHFFFAOYSA-N	-1	0	269.301	0.072	20	30		CCEDRM
CCN(CCC#N)C(=O)COC(=O)[C@@H](C)CC(=O)[O-]	ZINC000829693115	615022414	/nfs/dbraw/zinc/02/24/14/615022414.db2.gz	VQXALXLHSXPTJH-VIFPVBQESA-N	-1	0	270.285	0.403	20	30		CCEDRM
CCOC(=O)CCC(=O)N1CCN(C(=O)[O-])C[C@H]1C#N	ZINC000827307189	615171538	/nfs/dbraw/zinc/17/15/38/615171538.db2.gz	ZVZTWIXHJPBMTL-SECBINFHSA-N	-1	0	283.284	0.044	20	30		CCEDRM
CCOCCN(CC)C(=O)[C@@](C)(C#N)CC(=O)[O-]	ZINC000820377822	615250608	/nfs/dbraw/zinc/25/06/08/615250608.db2.gz	KASOVIWBAKWKIR-GFCCVEGCSA-N	-1	0	256.302	0.876	20	30		CCEDRM
CCOCCO[C@H](C)C(=O)C(C#N)=C([O-])c1nccn1C	ZINC000122760203	615294760	/nfs/dbraw/zinc/29/47/60/615294760.db2.gz	BSJYGODIJMMVHR-MNOVXSKESA-N	-1	0	293.323	0.753	20	30		CCEDRM
CCO[N-]C(=O)CNC(=O)NCc1ccc(CC#N)cc1	ZINC000845536377	615364944	/nfs/dbraw/zinc/36/49/44/615364944.db2.gz	PJHBCYOGNMIUQX-UHFFFAOYSA-N	-1	0	290.323	0.620	20	30		CCEDRM
CC[C@@H](C#N)NS(=O)(=O)c1cccc(C(=O)[O-])c1	ZINC000833635804	615366261	/nfs/dbraw/zinc/36/62/61/615366261.db2.gz	ANTSOBFUYBUGTA-VIFPVBQESA-N	-1	0	268.294	0.965	20	30		CCEDRM
CCOc1cccc(C=Nn2c(=O)[n-][nH]c2=O)c1O	ZINC000814231116	615513405	/nfs/dbraw/zinc/51/34/05/615513405.db2.gz	MHHOEDRXZPOEOI-UHFFFAOYSA-N	-1	0	264.241	0.676	20	30		CCEDRM
CC[C@@H](O)CNN=Cc1cc([N+](=O)[O-])ccc1[O-]	ZINC000811657179	615542317	/nfs/dbraw/zinc/54/23/17/615542317.db2.gz	HGIOHJSQAURDOP-SNVBAGLBSA-N	-1	0	253.258	0.995	20	30		CCEDRM
CC[C@@H](OC(=O)CNC(=O)c1ccc(C#N)cc1)C(=O)[O-]	ZINC000833646998	615544142	/nfs/dbraw/zinc/54/41/42/615544142.db2.gz	ZPBZYCGXRYGNNB-LLVKDONJSA-N	-1	0	290.275	0.694	20	30		CCEDRM
CC[C@@H](SC)C(=O)[N-]S(=O)(=O)c1cncc(C#N)c1	ZINC000813984813	615548474	/nfs/dbraw/zinc/54/84/74/615548474.db2.gz	BWMQWIDNIFRTGA-SNVBAGLBSA-N	-1	0	299.377	0.900	20	30		CCEDRM
CC[C@@]1(C)NC(=O)N(N=Cc2c[nH]c(C(=O)[O-])c2)C1=O	ZINC000814746129	615598032	/nfs/dbraw/zinc/59/80/32/615598032.db2.gz	QPXSVGQDMHXFJT-GFCCVEGCSA-N	-1	0	278.268	0.767	20	30		CCEDRM
CCn1ncn([N-]C(=O)c2cc(C#N)cs2)c1=O	ZINC000816736397	615732824	/nfs/dbraw/zinc/73/28/24/615732824.db2.gz	UXBNIKDMNHSODO-UHFFFAOYSA-N	-1	0	263.282	0.382	20	30		CCEDRM
CN(C(=O)COC(=O)[C@@](C)(C#N)CC(=O)[O-])C(C)(C)C#N	ZINC000820517355	615817744	/nfs/dbraw/zinc/81/77/44/615817744.db2.gz	GELGRMXUKGQXLN-CYBMUJFWSA-N	-1	0	295.295	0.295	20	30		CCEDRM
CCc1ocnc1C(=O)N1CCN(C(=O)[O-])C[C@H]1C#N	ZINC000827681982	615879324	/nfs/dbraw/zinc/87/93/24/615879324.db2.gz	SSJYNLKUXAPDQI-MRVPVSSYSA-N	-1	0	278.268	0.565	20	30		CCEDRM
CCn1[n-]nnc1=NC(=O)N(C)CCc1cccc(C#N)c1	ZINC000888319706	615910094	/nfs/dbraw/zinc/91/00/94/615910094.db2.gz	KRSAYNBVJWGIPY-UHFFFAOYSA-N	-1	0	299.338	0.693	20	30		CCEDRM
CCn1cc(C([O-])=C(C#N)C(=O)NC2CC2)c(C)n1	ZINC000860473502	615962517	/nfs/dbraw/zinc/96/25/17/615962517.db2.gz	NCSFQPSTEOOSDU-JTQLQIEISA-N	-1	0	260.297	0.813	20	30		CCEDRM
CN(CC#N)C(=O)[C@@H]1CC12CCN(C(=O)[O-])CC2	ZINC000833869841	616039700	/nfs/dbraw/zinc/03/97/00/616039700.db2.gz	GBZJJWDPAPZGBF-VIFPVBQESA-N	-1	0	251.286	0.748	20	30		CCEDRM
CN(CC1CC1)C(=O)COC(=O)[C@@](C)(C#N)CC(=O)[O-]	ZINC000820574159	616058589	/nfs/dbraw/zinc/05/85/89/616058589.db2.gz	DQKLCGRGIIWEEM-CYBMUJFWSA-N	-1	0	282.296	0.403	20	30		CCEDRM
CN(CCC#N)C(=O)C[C@H]1CN(C(=O)[O-])CCO1	ZINC000828273375	616067614	/nfs/dbraw/zinc/06/76/14/616067614.db2.gz	MUZLLLRBVQTVNL-VIFPVBQESA-N	-1	0	255.274	0.127	20	30		CCEDRM
CN1CCC[C@H](C(=O)[N-]Oc2cccc(C#N)c2)C1=O	ZINC000870691053	616203782	/nfs/dbraw/zinc/20/37/82/616203782.db2.gz	YROYUUKRDSLLTC-GFCCVEGCSA-N	-1	0	273.292	0.837	20	30		CCEDRM
COC(=O)[C@@H]1CN(C(=O)[C@@](C)(C#N)CC(=O)[O-])C[C@H]1C	ZINC000820660605	616380402	/nfs/dbraw/zinc/38/04/02/616380402.db2.gz	JITALJGTYYRVGA-JRKPZEMJSA-N	-1	0	282.296	0.258	20	30		CCEDRM
COCCNC(=O)C(C#N)=C([O-])c1cnn(C(F)F)c1	ZINC000870138369	616492366	/nfs/dbraw/zinc/49/23/66/616492366.db2.gz	KODQZACXUQFTRH-QMMMGPOBSA-N	-1	0	286.238	0.363	20	30		CCEDRM
COCCNC(=O)C(C#N)=C([O-])c1nnc2ccccc2n1	ZINC000810529419	616496532	/nfs/dbraw/zinc/49/65/32/616496532.db2.gz	GKZZHTZYMJZNTP-SECBINFHSA-N	-1	0	299.290	0.110	20	30		CCEDRM
COCCNC(=O)C(C#N)=C([O-])c1cccc2c1OCO2	ZINC000917424853	616496549	/nfs/dbraw/zinc/49/65/49/616496549.db2.gz	QBTCFQWCKJFVMU-SNVBAGLBSA-N	-1	0	290.275	0.500	20	30		CCEDRM
COCCNC(=O)C(C#N)=C([O-])c1cnn(C2CC2)c1	ZINC000860467748	616496581	/nfs/dbraw/zinc/49/65/81/616496581.db2.gz	GLUATRJBUCOOMU-LLVKDONJSA-N	-1	0	276.296	0.303	20	30		CCEDRM
COC1CC(C(=O)[N-]S(=O)(=O)c2cccc(C#N)c2)C1	ZINC000860450812	616499524	/nfs/dbraw/zinc/49/95/24/616499524.db2.gz	BDHVBPQJGBHSCB-UHFFFAOYSA-N	-1	0	294.332	0.788	20	30		CCEDRM
COCCO[N-]C(=O)C(=O)NCC1(C#N)CCCCC1	ZINC000830417645	616570937	/nfs/dbraw/zinc/57/09/37/616570937.db2.gz	NTEIAICPUKDHGU-UHFFFAOYSA-N	-1	0	283.328	0.271	20	30		CCEDRM
COC(=O)CN(CC#N)Cc1ccoc1C(=O)[O-]	ZINC000831164592	616588341	/nfs/dbraw/zinc/58/83/41/616588341.db2.gz	OTFZPAZBGWBLBM-UHFFFAOYSA-N	-1	0	252.226	0.476	20	30		CCEDRM
COC(=O)[C@H](C)[C@H](C)S(=O)(=O)[N-]C(=O)[C@@H](C)CC#N	ZINC000850958492	616588622	/nfs/dbraw/zinc/58/86/22/616588622.db2.gz	QZBQOLBQNVTULI-YIZRAAEISA-N	-1	0	290.341	0.180	20	30		CCEDRM
CO[C@@H]1CCC[C@H]1CNC(=O)[C@@](C)(C#N)CC(=O)[O-]	ZINC000820702804	616638065	/nfs/dbraw/zinc/63/80/65/616638065.db2.gz	GFSMJCOSSCXRNX-OPQQBVKSSA-N	-1	0	268.313	0.922	20	30		CCEDRM
COC[C@@H](C#N)OC(=O)c1ccc(CNC(=O)[O-])o1	ZINC000833881775	616774664	/nfs/dbraw/zinc/77/46/64/616774664.db2.gz	CZHMICDYUJCBOO-MRVPVSSYSA-N	-1	0	268.225	0.743	20	30		CCEDRM
CNC(=O)C(C#N)=C([O-])c1scc2c1OCCO2	ZINC000847626314	616778020	/nfs/dbraw/zinc/77/80/20/616778020.db2.gz	JGKYUSNPLZSYEJ-LURJTMIESA-N	-1	0	266.278	0.588	20	30		CCEDRM
COCCCCS(=O)(=O)[N-]C(=O)CC1(C#N)CC1	ZINC000816022128	616868585	/nfs/dbraw/zinc/86/85/85/616868585.db2.gz	LXASWWDEQMLLOS-UHFFFAOYSA-N	-1	0	274.342	0.553	20	30		CCEDRM
COCCCNC(=O)C(C#N)=C([O-])c1cncc(C)c1	ZINC000131957177	616898586	/nfs/dbraw/zinc/89/85/86/616898586.db2.gz	XQPBLBMNVMPBJF-LBPRGKRZSA-N	-1	0	275.308	0.865	20	30		CCEDRM
COCCCNC(=O)C(C#N)=C([O-])c1cc(C#N)oc1C	ZINC000797940999	616898594	/nfs/dbraw/zinc/89/85/94/616898594.db2.gz	MIBDZLLXAVKKLM-LBPRGKRZSA-N	-1	0	289.291	0.935	20	30		CCEDRM
CNC(=O)c1ccc(CN(CC#N)CC(=O)[O-])cc1	ZINC000831011305	616907404	/nfs/dbraw/zinc/90/74/04/616907404.db2.gz	MDZJWPNWBIJLEW-UHFFFAOYSA-N	-1	0	261.281	0.456	20	30		CCEDRM
CNC(=O)c1ccc(NC(=O)[C@](C)(C#N)CC(=O)[O-])cc1	ZINC000820640612	616912925	/nfs/dbraw/zinc/91/29/25/616912925.db2.gz	GZBFLHBBPOSEEC-AWEZNQCLSA-N	-1	0	289.291	0.989	20	30		CCEDRM
COC(=O)c1cccc(C(=O)[N-]S(=O)(=O)CCC#N)c1	ZINC000821583574	616925500	/nfs/dbraw/zinc/92/55/00/616925500.db2.gz	AEJFRVCKKLEQHT-UHFFFAOYSA-N	-1	0	296.304	0.446	20	30		CCEDRM
COC(=O)c1cccc(C[N@H+](C)CC(=O)[O-])c1C#N	ZINC000820689318	616926949	/nfs/dbraw/zinc/92/69/49/616926949.db2.gz	CENCPRDGMNDXJC-UHFFFAOYSA-N	-1	0	262.265	0.861	20	30		CCEDRM
CNC(=S)NN=C(C)[C@@H]1CCCCN1C(=O)[O-]	ZINC000828573582	616931069	/nfs/dbraw/zinc/93/10/69/616931069.db2.gz	UECGIIBXPZQTIZ-QMMMGPOBSA-N	-1	0	258.347	0.989	20	30		CCEDRM
CNC(=S)NN=Cc1ccc(-c2nn[nH]n2)s1	ZINC000821636672	616931880	/nfs/dbraw/zinc/93/18/80/616931880.db2.gz	YMUBDVALSDEZGT-UHFFFAOYSA-N	-1	0	267.343	0.356	20	30		CCEDRM
CO[C@H](C(=O)[N-]S(=O)(=O)CCC#N)C1CCCC1	ZINC000851015729	616981400	/nfs/dbraw/zinc/98/14/00/616981400.db2.gz	IECYHZCXUYIYOL-JTQLQIEISA-N	-1	0	274.342	0.551	20	30		CCEDRM
COCCN(CCC#N)C(=O)CC1CN(C(=O)[O-])C1	ZINC000828979924	616992161	/nfs/dbraw/zinc/99/21/61/616992161.db2.gz	OPJLBOVJMQKQMI-UHFFFAOYSA-N	-1	0	269.301	0.375	20	30		CCEDRM
COC[C@H](C#N)OC(=O)CCC(C)(C)NC(=O)[O-]	ZINC000833882559	617046882	/nfs/dbraw/zinc/04/68/82/617046882.db2.gz	OJUXPWUCTBHBNP-QMMMGPOBSA-N	-1	0	258.274	0.895	20	30		CCEDRM
CO[C@H](CS(=O)(=O)[N-]c1nn(C)c(C)c1C#N)C1CC1	ZINC000886412481	617093061	/nfs/dbraw/zinc/09/30/61/617093061.db2.gz	IKDZPCOERPDWGI-LLVKDONJSA-N	-1	0	298.368	0.767	20	30		CCEDRM
CON=C(C(=O)[N-]OC(C)C)c1csc(N)n1	ZINC000823302735	617103005	/nfs/dbraw/zinc/10/30/05/617103005.db2.gz	QSWOLZISEAEXHA-UHFFFAOYSA-N	-1	0	258.303	0.532	20	30		CCEDRM
CO[C@@H](C(=O)[N-]S(=O)(=O)CC1(C#N)CC1)C1CCC1	ZINC000850940302	617126677	/nfs/dbraw/zinc/12/66/77/617126677.db2.gz	KZVHPPXMBRLMLE-SNVBAGLBSA-N	-1	0	286.353	0.551	20	30		CCEDRM
CO[C@@H](C(=O)[N-]S(=O)(=O)c1cncc(C#N)c1)C1CC1	ZINC000813984503	617126721	/nfs/dbraw/zinc/12/67/21/617126721.db2.gz	WKJIQLBTNLJSTF-LLVKDONJSA-N	-1	0	295.320	0.183	20	30		CCEDRM
COc1cc(C#N)ccc1S(=O)(=O)[N-]N1CCCC1=O	ZINC000867594994	617153004	/nfs/dbraw/zinc/15/30/04/617153004.db2.gz	VKHXSDXUPYLJES-UHFFFAOYSA-N	-1	0	295.320	0.383	20	30		CCEDRM
COc1cc(C(=O)[O-])sc1S(=O)(=O)NCC#N	ZINC000831934834	617168123	/nfs/dbraw/zinc/16/81/23/617168123.db2.gz	XGNCEWRHPIWKIN-UHFFFAOYSA-N	-1	0	276.295	0.257	20	30		CCEDRM
N#CC1CN(S(=O)(=O)c2ccc(CC(=O)[O-])cc2)C1	ZINC000926550512	623050936	/nfs/dbraw/zinc/05/09/36/623050936.db2.gz	MZOCNSAYRWBSIA-UHFFFAOYSA-N	-1	0	280.305	0.458	20	30		CCEDRM
COCCNC(=O)C(C#N)=C([O-])c1cc(C(C)C)n(C)n1	ZINC000177597508	623426831	/nfs/dbraw/zinc/42/68/31/623426831.db2.gz	KPSAGRGRYCAWPK-JTQLQIEISA-N	-1	0	292.339	0.629	20	30		CCEDRM
N#Cc1cccc(C(=O)[N-]S(=O)(=O)Cc2ccon2)c1	ZINC000177706450	623449563	/nfs/dbraw/zinc/44/95/63/623449563.db2.gz	CJBQHVXSMLTVQL-UHFFFAOYSA-N	-1	0	291.288	0.806	20	30		CCEDRM
C=CCN(CC(=O)[O-])C(=O)NCc1cccnn1	ZINC000236423126	623502155	/nfs/dbraw/zinc/50/21/55/623502155.db2.gz	SPIUBUMGRFMCSZ-UHFFFAOYSA-N	-1	0	250.258	0.259	20	30		CCEDRM
C#CCCCCNC(=O)N[C@@]1(C(=O)[O-])CCOC1	ZINC000229755284	623562390	/nfs/dbraw/zinc/56/23/90/623562390.db2.gz	HGHYWHSOIYFOCY-LBPRGKRZSA-N	-1	0	254.286	0.333	20	30		CCEDRM
C#CCCCCNC(=O)N[C@](C)(COC)C(=O)[O-]	ZINC000328542551	623886516	/nfs/dbraw/zinc/88/65/16/623886516.db2.gz	JJQCZTRKSMDZBN-GFCCVEGCSA-N	-1	0	256.302	0.579	20	30		CCEDRM
CO[C@H](C)C(=O)[N-]S(=O)(=O)c1ncn(C)c1Cl	ZINC000049502235	624463055	/nfs/dbraw/zinc/46/30/55/624463055.db2.gz	GICUHSUFUNGWCY-RXMQYKEDSA-N	-1	0	281.721	0.754	20	30		CCEDRM
CC1(C)C[C@]1(C(=O)[O-])C(=O)N1CCN(CCC#N)CC1	ZINC000902489702	634397503	/nfs/dbraw/zinc/39/75/03/634397503.db2.gz	NOESTBVLZDUGBL-CQSZACIVSA-N	-1	0	279.340	0.545	20	30		CCEDRM
CS(=O)(=O)[N-]C(=O)Cc1cc2ccccc2[nH]c1=O	ZINC000048487281	624785550	/nfs/dbraw/zinc/78/55/50/624785550.db2.gz	ZEZZDRYIGUKZPG-UHFFFAOYSA-N	-1	0	280.305	0.987	20	30		CCEDRM
C=C[C@](C)(CCOC)C(=O)[N-]S(=O)(=O)N(C)CCC	ZINC000187616327	624806590	/nfs/dbraw/zinc/80/65/90/624806590.db2.gz	HSCHOKBIOAENOO-GFCCVEGCSA-N	-1	0	292.401	0.918	20	30		CCEDRM
COCCCNC(=O)C(C#N)=C([O-])c1cccn1C	ZINC000124988133	625747311	/nfs/dbraw/zinc/74/73/11/625747311.db2.gz	GJVCSYGJUQHYJU-SNVBAGLBSA-N	-1	0	263.297	0.500	20	30		CCEDRM
CC(C)OCCCNC(=O)C(C#N)=C([O-])c1cnn(C)c1	ZINC000125485482	625884262	/nfs/dbraw/zinc/88/42/62/625884262.db2.gz	CCKMJEUNTNESSW-LBPRGKRZSA-N	-1	0	292.339	0.674	20	30		CCEDRM
C=CCCCN(CC)C(=O)C(=O)N1CCO[C@@H](C(=O)[O-])C1	ZINC000904948973	634771108	/nfs/dbraw/zinc/77/11/08/634771108.db2.gz	VJAZBIAHZKDCKA-LLVKDONJSA-N	-1	0	298.339	0.113	20	30		CCEDRM
C=CCSCCNS(=O)(=O)C1(C(=O)[O-])CCC1	ZINC000905033987	634779029	/nfs/dbraw/zinc/77/90/29/634779029.db2.gz	GMYNVSLHLZNHRB-UHFFFAOYSA-N	-1	0	279.383	0.832	20	30		CCEDRM
Cc1n[nH]c(C(=O)N[C@H]2CCC[C@H](NCC#N)C2)c1[O-]	ZINC000981019598	631220192	/nfs/dbraw/zinc/22/01/92/631220192.db2.gz	FKDNPRLPFGSAGF-UWVGGRQHSA-N	-1	0	277.328	0.578	20	30		CCEDRM
O=c1[n-][nH]c(=O)n1N=Cc1cccc2c1OCCO2	ZINC000814230773	631593583	/nfs/dbraw/zinc/59/35/83/631593583.db2.gz	AUZXZPBYFBDICN-UHFFFAOYSA-N	-1	0	262.225	0.343	20	30		CCEDRM
CCCC(=O)[N-]S(=O)(=O)c1cc(C(N)=O)n(C)c1	ZINC000048518737	631728605	/nfs/dbraw/zinc/72/86/05/631728605.db2.gz	VWZUFEPFMUMJTK-UHFFFAOYSA-N	-1	0	273.314	0.569	20	30		CCEDRM
O=C([N-]S(=O)(=O)Cc1ccccc1)[C@H]1COCCO1	ZINC000048519455	631729428	/nfs/dbraw/zinc/72/94/28/631729428.db2.gz	XSOUFRXLYFUAPF-LLVKDONJSA-N	-1	0	285.321	0.888	20	30		CCEDRM
Cc1n[nH]c(C(=O)NC[C@H]2CCCCCN2CC#N)c1[O-]	ZINC000968815787	650030299	/nfs/dbraw/zinc/03/02/99/650030299.db2.gz	DUSCIOUSEWSCOZ-LLVKDONJSA-N	-1	0	291.355	0.922	20	30		CCEDRM
C=CCN(CC(=O)[O-])C(=O)c1c(C)nn(C)c1C	ZINC000092461682	631925990	/nfs/dbraw/zinc/92/59/90/631925990.db2.gz	NZBVVVVFYVIAEU-UHFFFAOYSA-N	-1	0	251.286	0.750	20	30		CCEDRM
C=CCN(CC(=O)[O-])C(=O)CCCC(=O)NC(C)C	ZINC000191260414	633333883	/nfs/dbraw/zinc/33/38/83/633333883.db2.gz	BGDXKQYFNSLETE-UHFFFAOYSA-N	-1	0	270.329	0.781	20	30		CCEDRM
N#Cc1ccc2c(c1)C[C@H](NC(=O)[C@H]1C[C@H]1C(=O)[O-])C2	ZINC000899832880	633900950	/nfs/dbraw/zinc/90/09/50/633900950.db2.gz	JGWULCNVYMFXDR-FRRDWIJNSA-N	-1	0	270.288	0.862	20	30		CCEDRM
O=C([O-])C#C[C@@H]1CCCN(S(=O)(=O)CCCF)C1	ZINC000899925714	633923342	/nfs/dbraw/zinc/92/33/42/633923342.db2.gz	GSIRSPYRVGAAMN-JTQLQIEISA-N	-1	0	277.317	0.476	20	30		CCEDRM
N#Cc1ccc(S(=O)(=O)N2C[C@H]3[C@H](C(=O)[O-])[C@H]3C2)cc1	ZINC000899938724	633926603	/nfs/dbraw/zinc/92/66/03/633926603.db2.gz	BQFATIBCQKGBPO-GDNZZTSVSA-N	-1	0	292.316	0.509	20	30		CCEDRM
Cn1cc(C(=O)[O-])cc1C=NN1CCC[C@H]1CO	ZINC000901252132	634215016	/nfs/dbraw/zinc/21/50/16/634215016.db2.gz	ADLNLVXONITSJY-JTQLQIEISA-N	-1	0	251.286	0.514	20	30		CCEDRM
C[C@H]1C(=O)N(N=Cc2cc(C(=O)[O-])cn2C)C(=O)N1C	ZINC000901266789	634219862	/nfs/dbraw/zinc/21/98/62/634219862.db2.gz	VQDBGLWLDSVWKF-ZETCQYMHSA-N	-1	0	278.268	0.340	20	30		CCEDRM
C#C[C@@H](CCC)NC(=O)NCC1(C(=O)[O-])CCOCC1	ZINC000230018946	637142612	/nfs/dbraw/zinc/14/26/12/637142612.db2.gz	AVIJHCDVPPEXRO-NSHDSACASA-N	-1	0	282.340	0.969	20	30		CCEDRM
C[C@@H](CO)N(C)N=Cc1ccc(OCC(=O)[O-])cc1	ZINC000842545249	637353381	/nfs/dbraw/zinc/35/33/81/637353381.db2.gz	RMMOVNSESOSDGO-JTQLQIEISA-N	-1	0	266.297	0.797	20	30		CCEDRM
N#CC(C(=O)N1CCCC1)=C([O-])c1ccc([N+](=O)[O-])[nH]1	ZINC000916871540	637930336	/nfs/dbraw/zinc/93/03/36/637930336.db2.gz	OZIBPRCFZIPVGZ-MRVPVSSYSA-N	-1	0	276.252	0.868	20	30		CCEDRM
COCCNC(=O)C(C#N)=C([O-])c1oc(C)cc1C	ZINC000175102874	638194995	/nfs/dbraw/zinc/19/49/95/638194995.db2.gz	NSYXEFYPXUPREX-JTQLQIEISA-N	-1	0	264.281	0.982	20	30		CCEDRM
CCCn1cc(C(=O)[N-]S(=O)(=O)CCCC#N)cn1	ZINC000181803559	638421542	/nfs/dbraw/zinc/42/15/42/638421542.db2.gz	WQPKEARCPKKYCD-UHFFFAOYSA-N	-1	0	284.341	0.656	20	30		CCEDRM
N#C[C@]1(C(=O)N2CCO[C@@H](C(=O)[O-])C2)CC12CCCC2	ZINC000923059541	640011419	/nfs/dbraw/zinc/01/14/19/640011419.db2.gz	YSDAMBLMHMQLGK-YGRLFVJLSA-N	-1	0	278.308	0.772	20	30		CCEDRM
C[C@@H]1C[C@@H](C)[C@H](C(=O)[N-]S(=O)(=O)CCCC#N)O1	ZINC000800404243	640612287	/nfs/dbraw/zinc/61/22/87/640612287.db2.gz	WDOYIOBMYSBCDN-OPRDCNLKSA-N	-1	0	274.342	0.550	20	30		CCEDRM
C#CCCCC(=O)[N-]S(=O)(=O)[C@@H](C)[C@H](C)C(=O)OC	ZINC000802162895	640688563	/nfs/dbraw/zinc/68/85/63/640688563.db2.gz	DETLCMILVFMYLZ-UWVGGRQHSA-N	-1	0	289.353	0.434	20	30		CCEDRM
C#Cc1cncc(C(=O)Nc2n[nH]c(SCCO)n2)c1	ZINC000807072449	640813310	/nfs/dbraw/zinc/81/33/10/640813310.db2.gz	PTYUHSBCNLJXQR-UHFFFAOYSA-N	-1	0	289.320	0.518	20	30		CCEDRM
N#Cc1cncc(S(=O)(=O)[N-]C(=O)C2=CCCC2)c1	ZINC000813981781	641051660	/nfs/dbraw/zinc/05/16/60/641051660.db2.gz	XEOJYDCUOVAYQQ-UHFFFAOYSA-N	-1	0	277.305	0.868	20	30		CCEDRM
O=C1[N-]C(=O)C(=NNCc2cccc3cccnc32)C(=O)N1	ZINC000814218987	641060096	/nfs/dbraw/zinc/06/00/96/641060096.db2.gz	TXDJLVKWPRUXQR-UHFFFAOYSA-N	-1	0	297.274	0.046	20	30		CCEDRM
Cc1nn(C(C)C)cc1C=Nn1c(=O)[n-][nH]c1=O	ZINC000814231219	641061447	/nfs/dbraw/zinc/06/14/47/641061447.db2.gz	QPXAMPXUSKLNEI-UHFFFAOYSA-N	-1	0	250.262	0.657	20	30		CCEDRM
Cc1cc(C=Nn2c(=O)[n-][nH]c2=O)cc(Cl)n1	ZINC000814233399	641061802	/nfs/dbraw/zinc/06/18/02/641061802.db2.gz	OAHUKLMAEMTINH-UHFFFAOYSA-N	-1	0	253.649	0.928	20	30		CCEDRM
O=C([O-])C1CC(N=Nc2nccc(N3CCOCC3)n2)C1	ZINC000814871331	641079586	/nfs/dbraw/zinc/07/95/86/641079586.db2.gz	PFBBAILWUYXVFW-UHFFFAOYSA-N	-1	0	291.311	0.576	20	30		CCEDRM
NC(=O)CON=C1CCCc2cc(C(=O)[O-])ccc21	ZINC000814893483	641081242	/nfs/dbraw/zinc/08/12/42/641081242.db2.gz	SWDJTPRXTVCRJR-UHFFFAOYSA-N	-1	0	262.265	0.927	20	30		CCEDRM
OCCNN=Cc1cc(O)c(O)c(Br)c1	ZINC000814943359	641083833	/nfs/dbraw/zinc/08/38/33/641083833.db2.gz	DCYNDUXPPHPHJZ-UHFFFAOYSA-N	-1	0	275.102	0.776	20	30		CCEDRM
O=C([O-])CNN=C1CCOc2c1cc(F)cc2[N+](=O)[O-]	ZINC000814957092	641084534	/nfs/dbraw/zinc/08/45/34/641084534.db2.gz	UQNCJOOUPMPXFA-UHFFFAOYSA-N	-1	0	283.215	0.895	20	30		CCEDRM
Cc1ccccc1-n1cc(C=NNCC(=O)[O-])nn1	ZINC000814958267	641084667	/nfs/dbraw/zinc/08/46/67/641084667.db2.gz	IFQLZXQLBPQRAI-UHFFFAOYSA-N	-1	0	259.269	0.584	20	30		CCEDRM
N#Cc1cscc1C(=O)[N-]N1CCCNC1=O	ZINC000815982408	641134196	/nfs/dbraw/zinc/13/41/96/641134196.db2.gz	WRKPRHNUWWUWQY-UHFFFAOYSA-N	-1	0	250.283	0.680	20	30		CCEDRM
O=C(N[C@@H]1CCN(O)C1=O)c1cccc([N+](=O)[O-])c1[O-]	ZINC000816695388	641198403	/nfs/dbraw/zinc/19/84/03/641198403.db2.gz	BBLZKQNINNAXMY-SSDOTTSWSA-N	-1	0	281.224	0.020	20	30		CCEDRM
N#CCCCS(=O)(=O)[N-]C(=O)/C=C/[C@@H]1CCCO1	ZINC000820510403	641512529	/nfs/dbraw/zinc/51/25/29/641512529.db2.gz	UGWLPPXHUAFNGD-PORFMDCZSA-N	-1	0	272.326	0.471	20	30		CCEDRM
C[C@H](CC(=O)[N-]S(=O)(=O)CCC#N)n1cccn1	ZINC000821047842	641558047	/nfs/dbraw/zinc/55/80/47/641558047.db2.gz	WVWCJOPFTPHHIY-SECBINFHSA-N	-1	0	270.314	0.194	20	30		CCEDRM
N#CCCS(=O)(=O)[N-]C(=O)C1=Cc2ccccc2OC1	ZINC000821582796	641611712	/nfs/dbraw/zinc/61/17/12/641611712.db2.gz	XUBXBYHBWBRLRM-UHFFFAOYSA-N	-1	0	292.316	0.822	20	30		CCEDRM
C[C@@H]1CC[C@H](C(=O)Nc2nc(C#N)c(-c3nn[nH]n3)[n-]2)C1	ZINC000824911057	641852778	/nfs/dbraw/zinc/85/27/78/641852778.db2.gz	ZXSSYHDAKQCCGH-RQJHMYQMSA-N	-1	0	286.299	0.836	20	30		CCEDRM
N#Cc1cccc(NC(=O)C(=O)[N-]O[C@@H]2CCCCO2)n1	ZINC000832388658	642473912	/nfs/dbraw/zinc/47/39/12/642473912.db2.gz	QKTKMVPOYWGFMO-LLVKDONJSA-N	-1	0	290.279	0.466	20	30		CCEDRM
C[C@H](CO)NN=C1CCC[C@@H]1[C@H]1COCCN1C(=O)[O-]	ZINC000833809885	642543309	/nfs/dbraw/zinc/54/33/09/642543309.db2.gz	UUPLFFDCIJISAD-JFGNBEQYSA-N	-1	0	285.344	0.492	20	30		CCEDRM
Cc1cc(C(=O)[N-]S(=O)(=O)CCC#N)oc1C	ZINC000835410732	642660529	/nfs/dbraw/zinc/66/05/29/642660529.db2.gz	HYLNHNXQQVVPHK-UHFFFAOYSA-N	-1	0	256.283	0.870	20	30		CCEDRM
N#Cc1ccc(S(=O)(=O)[N-]C(=O)[C@@H]2CCC(=O)C2)cc1	ZINC000842675659	642931528	/nfs/dbraw/zinc/93/15/28/642931528.db2.gz	HPAOQABUKASWOK-SNVBAGLBSA-N	-1	0	292.316	0.732	20	30		CCEDRM
O=C(N[C@H]1CCCN(O)C1=O)c1cc([O-])cc([N+](=O)[O-])c1	ZINC000848137082	643608330	/nfs/dbraw/zinc/60/83/30/643608330.db2.gz	YFWKTGPFXYBHKL-JTQLQIEISA-N	-1	0	295.251	0.410	20	30		CCEDRM
N#CCC[N-]S(=O)(=O)c1ncccc1[N+](=O)[O-]	ZINC000849389607	643736529	/nfs/dbraw/zinc/73/65/29/643736529.db2.gz	QZINKBLWRUOXHS-UHFFFAOYSA-N	-1	0	256.243	0.182	20	30		CCEDRM
N#CC(C(=O)N1CCCC1)=C([O-])c1ccn2nnnc2c1	ZINC000850751312	643811524	/nfs/dbraw/zinc/81/15/24/643811524.db2.gz	AGXJEZSFRPWPNV-SNVBAGLBSA-N	-1	0	284.279	0.069	20	30		CCEDRM
C[C@@H](CC(=O)[N-]S(=O)(=O)CCCC#N)[C@@H]1CCCO1	ZINC000850926745	643822841	/nfs/dbraw/zinc/82/28/41/643822841.db2.gz	QWNQPMKSNPKWCI-QWRGUYRKSA-N	-1	0	288.369	0.941	20	30		CCEDRM
N#CC1(CS(=O)(=O)[N-]C(=O)Cc2cscn2)CCC1	ZINC000853118021	644076410	/nfs/dbraw/zinc/07/64/10/644076410.db2.gz	HDSYQDKZYYHDQV-UHFFFAOYSA-N	-1	0	299.377	0.825	20	30		CCEDRM
O=c1[n-][nH]c(=O)n1N=Cc1ccc(O[C@@H]2CCOC2)cc1	ZINC000853349431	644100814	/nfs/dbraw/zinc/10/08/14/644100814.db2.gz	YFSLZNRRUNLMOT-LLVKDONJSA-N	-1	0	290.279	0.739	20	30		CCEDRM
C#CCSCCNC(=O)c1c[n-]n2c1nccc2=O	ZINC000857134631	644475097	/nfs/dbraw/zinc/47/50/97/644475097.db2.gz	UARRBSVYIUMKMX-UHFFFAOYSA-N	-1	0	276.321	0.119	20	30		CCEDRM
N#Cc1ccc(S(=O)(=O)[N-]N2CCCC2=O)s1	ZINC000867592493	645634902	/nfs/dbraw/zinc/63/49/02/645634902.db2.gz	DZNDYZMQRHUYSW-UHFFFAOYSA-N	-1	0	271.323	0.435	20	30		CCEDRM
N#Cc1cc(S(=O)(=O)[N-]N2CCCC2=O)ccc1F	ZINC000867595049	645637313	/nfs/dbraw/zinc/63/73/13/645637313.db2.gz	WWENPUXVGKTDAN-UHFFFAOYSA-N	-1	0	283.284	0.513	20	30		CCEDRM
Cc1cc(F)ncc1C(=O)[N-]S(=O)(=O)CCCC#N	ZINC000870270368	645976813	/nfs/dbraw/zinc/97/68/13/645976813.db2.gz	VXZHYZXPRCNMRW-UHFFFAOYSA-N	-1	0	285.300	0.893	20	30		CCEDRM
N#Cc1cccc(O[N-]C(=O)[C@@H]2CCC(=O)NC2)c1	ZINC000870692873	646017435	/nfs/dbraw/zinc/01/74/35/646017435.db2.gz	PWAPLOALRVLCFF-SNVBAGLBSA-N	-1	0	259.265	0.494	20	30		CCEDRM
Cn1nnc2c1C[C@@H](C(=O)NOc1cccc(C#N)c1)CC2	ZINC000870689784	646017851	/nfs/dbraw/zinc/01/78/51/646017851.db2.gz	BIFOPYFWWXGLEU-NSHDSACASA-N	-1	0	297.318	0.902	20	30		CCEDRM
CS(=O)(=O)C1(C(=O)[N-]Oc2cccc(C#N)c2)CCC1	ZINC000870691008	646018241	/nfs/dbraw/zinc/01/82/41/646018241.db2.gz	XMGJPKILJCLXFO-UHFFFAOYSA-N	-1	0	294.332	0.936	20	30		CCEDRM
Cc1ccc(S(=O)(=O)N2CC[C@H](C(=O)[O-])C2)c(C#N)c1	ZINC000871636575	646160948	/nfs/dbraw/zinc/16/09/48/646160948.db2.gz	MUKYNWGXUCGPGA-JTQLQIEISA-N	-1	0	294.332	0.962	20	30		CCEDRM
Cc1[nH]nc(C(=O)N2C[C@@H](C)N(CC#N)[C@H](C)C2)c1[O-]	ZINC000880456966	647203471	/nfs/dbraw/zinc/20/34/71/647203471.db2.gz	ZSXLKGVISPCPEP-RKDXNWHRSA-N	-1	0	277.328	0.482	20	30		CCEDRM
Cc1nc(C#N)cc(N2CC(C[N-]C(=O)C(F)(F)F)C2)n1	ZINC000882708291	647434988	/nfs/dbraw/zinc/43/49/88/647434988.db2.gz	YVOSQOOKFHQGBG-UHFFFAOYSA-N	-1	0	299.256	0.771	20	30		CCEDRM
COC[C@H](NS(=O)(=O)Cc1ccccc1C#N)C(=O)[O-]	ZINC000158597789	649308166	/nfs/dbraw/zinc/30/81/66/649308166.db2.gz	ALBRPQNZWIIJBW-NSHDSACASA-N	-1	0	298.320	0.077	20	30		CCEDRM
CS(=O)(=O)[N-]C(=O)[C@H]1CC(=O)N(C2CCCC2)C1	ZINC000048479933	649322191	/nfs/dbraw/zinc/32/21/91/649322191.db2.gz	DNEOPWMMCIAUOH-QMMMGPOBSA-N	-1	0	274.342	0.694	20	30		CCEDRM
C[C@@H](NC(=O)c1ccoc1)C(=O)[N-]S(C)(=O)=O	ZINC000048480991	649322321	/nfs/dbraw/zinc/32/23/21/649322321.db2.gz	LJPNRPPRIRMATD-ZCFIWIBFSA-N	-1	0	260.271	0.314	20	30		CCEDRM
CC(=O)N[C@@H](C(=O)[N-]S(=O)(=O)N1CCCC1)C(C)C	ZINC000048869439	649327291	/nfs/dbraw/zinc/32/72/91/649327291.db2.gz	ZTHYJDBOOOXWBK-SNVBAGLBSA-N	-1	0	291.373	0.444	20	30		CCEDRM
C=CCN(CC(=O)[O-])C(=O)CCCC(=O)N(C)C	ZINC000191256473	649471008	/nfs/dbraw/zinc/47/10/08/649471008.db2.gz	VZOVOCDIHZGRKO-UHFFFAOYSA-N	-1	0	256.302	0.344	20	30		CCEDRM
COCCNC(=O)C(C#N)=C([O-])c1ccc(C#N)cc1	ZINC000193411623	649537279	/nfs/dbraw/zinc/53/72/79/649537279.db2.gz	KBAMFYNVFQDNNF-LBPRGKRZSA-N	-1	0	271.276	0.643	20	30		CCEDRM
C=CCN(CC(=O)[O-])C(=O)CNC(=O)C(C)(C)C	ZINC000092461830	649723866	/nfs/dbraw/zinc/72/38/66/649723866.db2.gz	IGHZHIYQWCLQFT-UHFFFAOYSA-N	-1	0	256.302	0.248	20	30		CCEDRM
C=CCN(CC(=O)[O-])C(=O)NCc1c(C)nn(C)c1C	ZINC000092469639	649724202	/nfs/dbraw/zinc/72/42/02/649724202.db2.gz	XHGUYSIFXXZKDX-UHFFFAOYSA-N	-1	0	280.328	0.819	20	30		CCEDRM
C=CCCN(C)S(=O)(=O)c1c[nH]c(C(=O)[O-])c1	ZINC000303798738	649825325	/nfs/dbraw/zinc/82/53/25/649825325.db2.gz	QBJIFJNHLRDIIH-UHFFFAOYSA-N	-1	0	258.299	0.910	20	30		CCEDRM
N#Cc1ccc(F)cc1OC(=O)[C@H](O)CCC(=O)[O-]	ZINC001230636435	805636860	/nfs/dbraw/zinc/63/68/60/805636860.db2.gz	KRBIUSKSPLVMJX-SECBINFHSA-N	-1	0	267.212	0.828	20	30		CCEDRM
C=CCN1CC[C@@H]1CNC(=O)c1[nH]nc(C)c1[O-]	ZINC001038169686	790440258	/nfs/dbraw/zinc/44/02/58/790440258.db2.gz	JRMRAUPFMMTFMN-SECBINFHSA-N	-1	0	250.302	0.414	20	30		CCEDRM
C#CC1CCN(S(=O)(=O)c2c[nH]c(C(=O)[O-])c2)CC1	ZINC000692299961	791069155	/nfs/dbraw/zinc/06/91/55/791069155.db2.gz	JWBGCRJNIKJHMH-UHFFFAOYSA-N	-1	0	282.321	0.747	20	30		CCEDRM
COC(=O)[C@@H]1CN(C)CCN1Cc1cc(C#N)ccc1[O-]	ZINC001232681252	805970340	/nfs/dbraw/zinc/97/03/40/805970340.db2.gz	OLLHYALNUWODLD-ZDUSSCGKSA-N	-1	0	289.335	0.553	20	30		CCEDRM
COC(=O)[C@@H]1CN(Cc2ccc(C#N)cc2O)CCO1	ZINC001233383715	806052593	/nfs/dbraw/zinc/05/25/93/806052593.db2.gz	SXDORBCWJMMTSD-ZDUSSCGKSA-N	-1	0	276.292	0.638	20	30		CCEDRM
C=C[C@@H](C)Oc1c(C(=O)OC)n[n-]c1C(=O)OC	ZINC001234186949	806197860	/nfs/dbraw/zinc/19/78/60/806197860.db2.gz	MIUBXUABWWHOOR-ZCFIWIBFSA-N	-1	0	254.242	0.936	20	30		CCEDRM
C=C[C@@H](Oc1c(C(=O)OC)n[n-]c1C(=O)OC)C(=O)OC	ZINC001234188052	806199490	/nfs/dbraw/zinc/19/94/90/806199490.db2.gz	CACOBNVFWIGRME-ZCFIWIBFSA-N	-1	0	298.251	0.089	20	30		CCEDRM
CNC(=O)C(C#N)=C([O-])c1csc(-c2cnccn2)n1	ZINC001122406462	799226758	/nfs/dbraw/zinc/22/67/58/799226758.db2.gz	MLOWXSVBCFVQHU-SSDOTTSWSA-N	-1	0	287.304	0.669	20	30		CCEDRM
COCCNC(=O)C(C#N)=C([O-])c1n[nH]c(C)c1C	ZINC001122409018	799226870	/nfs/dbraw/zinc/22/68/70/799226870.db2.gz	SQLVYFVRFONXSJ-SECBINFHSA-N	-1	0	264.285	0.112	20	30		CCEDRM
CNC(=O)C(C#N)=C([O-])c1cnn(C)c1Br	ZINC001122415725	799227821	/nfs/dbraw/zinc/22/78/21/799227821.db2.gz	MTHURWCLLPDNRQ-RXMQYKEDSA-N	-1	0	285.101	0.251	20	30		CCEDRM
CNC(=O)C(C#N)=C([O-])c1cnc2nccnc2c1	ZINC001122502488	799251858	/nfs/dbraw/zinc/25/18/58/799251858.db2.gz	QLYGIHDOPLNPFG-QMMMGPOBSA-N	-1	0	255.237	0.093	20	30		CCEDRM
CNC(=O)C(C#N)=C([O-])c1ccnc(F)c1OC	ZINC001122557509	799262568	/nfs/dbraw/zinc/26/25/68/799262568.db2.gz	YOQNJQJGLRUJAA-ZETCQYMHSA-N	-1	0	251.217	0.298	20	30		CCEDRM
Cn1ccnc1C([O-])=C(C#N)C(=O)COCc1ccncc1	ZINC001122727504	799290574	/nfs/dbraw/zinc/29/05/74/799290574.db2.gz	MKCCSHZJPPFOHB-LBPRGKRZSA-N	-1	0	298.302	0.923	20	30		CCEDRM
O=C(N[C@H]1CCCN(O)C1=O)c1cc(F)c[nH]c1=O	ZINC001141463798	800009319	/nfs/dbraw/zinc/00/93/19/800009319.db2.gz	TVDMOTFVJWKSQN-QMMMGPOBSA-N	-1	0	269.232	0.036	20	30		CCEDRM
CN(C(=O)c1[nH]c2ccccc2c1C#N)c1nnn[n-]1	ZINC001149219932	800237390	/nfs/dbraw/zinc/23/73/90/800237390.db2.gz	JXIOUSLYZOAHEK-UHFFFAOYSA-N	-1	0	267.252	0.829	20	30		CCEDRM
C=C(C)[C@@H](CC(=O)NCc1nc([O-])cc(=O)[nH]1)OCC	ZINC001149284003	800242317	/nfs/dbraw/zinc/24/23/17/800242317.db2.gz	LNQQGJQLQBBTRT-SECBINFHSA-N	-1	0	281.312	0.875	20	30		CCEDRM
N#Cc1ccc2[nH]c(C(=O)N[C@@H]3CO[N-]C3=O)cc2c1	ZINC001156461582	801169950	/nfs/dbraw/zinc/16/99/50/801169950.db2.gz	QVXNCRYTEPUCDK-LLVKDONJSA-N	-1	0	270.248	0.199	20	30		CCEDRM
COCCS(=O)(=O)[N-]c1ccc(C#N)cc1C#N	ZINC001259972893	808833277	/nfs/dbraw/zinc/83/32/77/808833277.db2.gz	FTBTZNZLTKDKSG-UHFFFAOYSA-N	-1	0	265.294	0.818	20	30		CCEDRM
COC(=O)n1ncc(C#N)c1[N-]S(=O)(=O)C(F)F	ZINC001259961447	808825958	/nfs/dbraw/zinc/82/59/58/808825958.db2.gz	INRIIVZYPIXLPZ-UHFFFAOYSA-N	-1	0	280.212	0.334	20	30		CCEDRM
N#CCOc1ccc(N[C@@H]2SC(=O)[N-]C2=O)nc1	ZINC001163666303	802586971	/nfs/dbraw/zinc/58/69/71/802586971.db2.gz	SBJFJGDPOWEXHU-SECBINFHSA-N	-1	0	264.266	0.705	20	30		CCEDRM
C=CCNC(=O)c1ccc(N[C@@H]2SC(=O)[N-]C2=O)nc1	ZINC001163666712	802587564	/nfs/dbraw/zinc/58/75/64/802587564.db2.gz	UXUKGUOLVYUGMZ-LLVKDONJSA-N	-1	0	292.320	0.718	20	30		CCEDRM
N#CNC(=Nc1cnc2nn[n-]c2c1)c1ccncc1	ZINC001164509665	802752906	/nfs/dbraw/zinc/75/29/06/802752906.db2.gz	AQOSETPVSKLHTF-UHFFFAOYSA-N	-1	0	264.252	0.897	20	30		CCEDRM
N#CCOc1ccc(-c2cnn(CC(=O)[O-])c2)nc1	ZINC001242184267	806996120	/nfs/dbraw/zinc/99/61/20/806996120.db2.gz	MLNNXFFIELTHNC-UHFFFAOYSA-N	-1	0	258.237	0.932	20	30		CCEDRM
C=CCCCC(=O)N[C@@H]1CN(Cc2n[nH]c(=O)[n-]2)C[C@H]1C	ZINC001208452623	803515224	/nfs/dbraw/zinc/51/52/24/803515224.db2.gz	UZFUDFHJLCIESY-GHMZBOCLSA-N	-1	0	293.371	0.803	20	30		CCEDRM
C=CCN(CC(=O)[O-])C(=O)NCc1cn(CC)nn1	ZINC000404408684	803851728	/nfs/dbraw/zinc/85/17/28/803851728.db2.gz	GKNBLMNSORXXEO-UHFFFAOYSA-N	-1	0	267.289	0.080	20	30		CCEDRM
C=CCC[C@H](NS(=O)(=O)c1cncc(F)c1)C(=O)[O-]	ZINC000316228064	804681015	/nfs/dbraw/zinc/68/10/15/804681015.db2.gz	BIBSBUYFHYZPCQ-JTQLQIEISA-N	-1	0	288.300	0.918	20	30		CCEDRM
C=CCC[C@H](NS(=O)(=O)c1ccc(C#N)nc1)C(=O)[O-]	ZINC000316303925	804687437	/nfs/dbraw/zinc/68/74/37/804687437.db2.gz	JJLMYCWHRLZLAR-NSHDSACASA-N	-1	0	295.320	0.651	20	30		CCEDRM
N=C(Nc1cccc(S(=O)(=O)[O-])n1)c1nccs1	ZINC001168276234	815039053	/nfs/dbraw/zinc/03/90/53/815039053.db2.gz	SLUPOILKRYQOMM-UHFFFAOYSA-N	-1	0	284.322	0.822	20	30		CCEDRM
N#Cc1cc(COC(=O)[C@H](O)CCC(=O)[O-])ccn1	ZINC001222733604	804929786	/nfs/dbraw/zinc/92/97/86/804929786.db2.gz	XPIJEHSBVODDQB-SNVBAGLBSA-N	-1	0	264.237	0.222	20	30		CCEDRM
C=CCOC[C@H](CS(=O)(=O)[O-])Oc1ncccc1C#N	ZINC001225407314	805125922	/nfs/dbraw/zinc/12/59/22/805125922.db2.gz	LOHYNDSIAWOAEX-LLVKDONJSA-N	-1	0	298.320	0.791	20	30		CCEDRM
C=CCOC[C@@H](CS(=O)(=O)[O-])Oc1cc(=O)cc[nH]1	ZINC001225605180	805143607	/nfs/dbraw/zinc/14/36/07/805143607.db2.gz	RJQSXROUPFUKGK-JTQLQIEISA-N	-1	0	289.309	0.625	20	30		CCEDRM
CCC[C@H](C#Cc1ccccc1)Oc1c([O-])c(=O)c(=O)c1=O	ZINC001225831051	805167245	/nfs/dbraw/zinc/16/72/45/805167245.db2.gz	PXDLXCXJIJSQKT-GFCCVEGCSA-N	-1	0	298.294	0.948	20	30		CCEDRM
COC(=O)C1CC(Oc2nccc(/C=N/O)n2)C1	ZINC001226254278	805212086	/nfs/dbraw/zinc/21/20/86/805212086.db2.gz	UFRNJVRVDJBPNF-AWNIVKPZSA-N	-1	0	251.242	0.615	20	30		CCEDRM
COC(=O)c1[n-]c(=O)nc(OC2CC(C#N)C2)c1[N+](=O)[O-]	ZINC001226649017	805260066	/nfs/dbraw/zinc/26/00/66/805260066.db2.gz	IHRDSRSQHNNGDR-UHFFFAOYSA-N	-1	0	294.223	0.558	20	30		CCEDRM
CC[C@H](C#CC(=O)OC)Oc1[n-]c(=O)nc2cnncc21	ZINC001226692332	805266496	/nfs/dbraw/zinc/26/64/96/805266496.db2.gz	NLXCEZDSNFFOSE-MRVPVSSYSA-N	-1	0	288.263	0.459	20	30		CCEDRM
C=CC(C=C)Oc1[n-]c(=O)nc2c(=O)[n-]c(=O)[nH]c21	ZINC001226886076	805290489	/nfs/dbraw/zinc/29/04/89/805290489.db2.gz	KOXWXZWLTWEEQD-UHFFFAOYSA-N	-1	0	262.225	0.656	20	30		CCEDRM
C#C[C@@H](CC(C)C)Oc1[n-]c(=O)nc2c(=O)[n-]c(=O)[nH]c21	ZINC001226886296	805291457	/nfs/dbraw/zinc/29/14/57/805291457.db2.gz	MTBZAZAEMJTJSE-ZETCQYMHSA-N	-1	0	290.279	0.963	20	30		CCEDRM
CC[C@H](C#CC(=O)OC)Oc1[n-]c(=O)nc2nccnc21	ZINC001226988980	805302957	/nfs/dbraw/zinc/30/29/57/805302957.db2.gz	CTMOTIMQCBDJCF-MRVPVSSYSA-N	-1	0	288.263	0.459	20	30		CCEDRM
CCC1=C(Oc2nc(=O)[n-]c(=O)[nH]2)C(=O)[C@H](C)O1	ZINC001227566823	805365216	/nfs/dbraw/zinc/36/52/16/805365216.db2.gz	JKPIFTXTUPBEBN-BYPYZUCNSA-N	-1	0	253.214	0.271	20	30		CCEDRM
Cn1[n-]nnc1=NC(=S)Nc1ccc(C#N)cc1	ZINC001245875238	807096751	/nfs/dbraw/zinc/09/67/51/807096751.db2.gz	YGVIBALDVFACSX-UHFFFAOYSA-N	-1	0	259.298	0.313	20	30		CCEDRM
C#Cc1cnc([N-]S(=O)(=O)C(F)(F)F)c(C#C)n1	ZINC001252287191	807804259	/nfs/dbraw/zinc/80/42/59/807804259.db2.gz	VLHCNOVRZCSWGO-UHFFFAOYSA-N	-1	0	275.211	0.701	20	30		CCEDRM
C=C[C@@H]1C[C@@]1([N-]S(=O)(=O)C(F)(F)F)C(=O)OCC	ZINC001252385918	807817259	/nfs/dbraw/zinc/81/72/59/807817259.db2.gz	HHJNJRGNMKXMQR-SVRRBLITSA-N	-1	0	287.259	0.933	20	30		CCEDRM
C=CCOC[C@H](CS(=O)(=O)[O-])OCC(=C)C(=O)OC	ZINC001224369789	815154756	/nfs/dbraw/zinc/15/47/56/815154756.db2.gz	WHQIGDLAGLBXMM-SNVBAGLBSA-N	-1	0	294.325	0.191	20	30		CCEDRM
C#CCCc1cn(CCOCCOCCC(=O)[O-])nn1	ZINC001254088952	808179402	/nfs/dbraw/zinc/17/94/02/808179402.db2.gz	PUSDBAOYLJOCTR-UHFFFAOYSA-N	-1	0	281.312	0.352	20	30		CCEDRM
C=C[C@@](C)(CCOC)C(=O)[N-]S(=O)(=O)N(CC)CC	ZINC001255453846	808376077	/nfs/dbraw/zinc/37/60/77/808376077.db2.gz	JNUFVLYXFIDXDG-LBPRGKRZSA-N	-1	0	292.401	0.918	20	30		CCEDRM
C/C(=C/C(=O)C(F)(F)F)NS(=O)(=O)c1cn(C)cn1	ZINC001259003037	808712584	/nfs/dbraw/zinc/71/25/84/808712584.db2.gz	HUYBCSOKHKABFM-UTCJRWHESA-N	-1	0	297.258	0.734	20	30		CCEDRM
COC(=O)CS(=O)(=O)[N-]c1ccc(C#N)c(OC)c1	ZINC001259026161	808723749	/nfs/dbraw/zinc/72/37/49/808723749.db2.gz	KPNUBYXOZGUFNP-UHFFFAOYSA-N	-1	0	284.293	0.482	20	30		CCEDRM
Cn1cc([N-]S(=O)(=O)c2cccc(C#N)c2)c(C#N)n1	ZINC001259118139	808732820	/nfs/dbraw/zinc/73/28/20/808732820.db2.gz	DOOJDXPQQPFDCV-UHFFFAOYSA-N	-1	0	287.304	0.964	20	30		CCEDRM
CCn1cc(S(=O)(=O)[N-]c2cnc(C#N)cn2)cn1	ZINC001259831634	808781744	/nfs/dbraw/zinc/78/17/44/808781744.db2.gz	DNBBIPNBYMXYRN-UHFFFAOYSA-N	-1	0	278.297	0.365	20	30		CCEDRM
N#Cc1cnn2c1[nH]c(=O)cc2[N-]S(=O)(=O)C(F)F	ZINC001259950254	808819475	/nfs/dbraw/zinc/81/94/75/808819475.db2.gz	KDXNNYDLBIXONF-UHFFFAOYSA-N	-1	0	289.223	0.271	20	30		CCEDRM
C#CC1(NS(=O)(=O)c2ccc(O)c(C(=O)[O-])c2)CC1	ZINC001260404306	808859872	/nfs/dbraw/zinc/85/98/72/808859872.db2.gz	VDOBMUOYZPOOST-UHFFFAOYSA-N	-1	0	281.289	0.535	20	30		CCEDRM
N#CC1(CNS(=O)(=O)c2ccc(O)c(C(=O)[O-])c2)CC1	ZINC001260403686	808860332	/nfs/dbraw/zinc/86/03/32/808860332.db2.gz	LPDPEXSKCARYLW-UHFFFAOYSA-N	-1	0	296.304	0.672	20	30		CCEDRM
Cc1nsc([N-]S(=O)(=O)c2cn[nH]c2)c1C#N	ZINC001260953500	808886194	/nfs/dbraw/zinc/88/61/94/808886194.db2.gz	LBRSBGAKLAELGV-UHFFFAOYSA-N	-1	0	269.311	0.847	20	30		CCEDRM
Cc1ccc(C(=NS(=O)(=O)c2cn[n-]c2)NO)nc1	ZINC001260964753	808895069	/nfs/dbraw/zinc/89/50/69/808895069.db2.gz	WDYHUIHTZCQVBG-UHFFFAOYSA-N	-1	0	281.297	0.227	20	30		CCEDRM
Cc1n[nH]c(C)c1S(=O)(=O)[N-]c1onc(C)c1C#N	ZINC001261022919	808898405	/nfs/dbraw/zinc/89/84/05/808898405.db2.gz	KYKHUJBMRQVSLV-UHFFFAOYSA-N	-1	0	281.297	0.995	20	30		CCEDRM
C=C(C)CN=c1ccc(C(=O)NC2CCOCC2)n[n-]1	ZINC000489914383	808915824	/nfs/dbraw/zinc/91/58/24/808915824.db2.gz	DARMYMVZVRYXFR-UHFFFAOYSA-N	-1	0	276.340	0.795	20	30		CCEDRM
C=CC[C@H](NC(=O)[C@H](C)Cc1c[nH]cn1)C(=O)[O-]	ZINC001261843350	809106004	/nfs/dbraw/zinc/10/60/04/809106004.db2.gz	DEFSCHXATSNQKM-SCZZXKLOSA-N	-1	0	251.286	0.734	20	30		CCEDRM
C=CCO[C@@H]1CCN(Cc2cc(C(=O)[O-])n[nH]2)C1	ZINC001262156350	809209206	/nfs/dbraw/zinc/20/92/06/809209206.db2.gz	OEWQLLSXRGZNFU-SNVBAGLBSA-N	-1	0	251.286	0.885	20	30		CCEDRM
C#CCc1c(C)[n-]n(-c2nc3c(cnn3C)c(=O)[nH]2)c1=O	ZINC001262379809	809297834	/nfs/dbraw/zinc/29/78/34/809297834.db2.gz	MUVHOSYRAGQLFY-QMMMGPOBSA-N	-1	0	284.279	0.431	20	30		CCEDRM
COCCn1ncc(C([O-])=C(C#N)C(=O)NC2CC2)c1C	ZINC001263296413	809503930	/nfs/dbraw/zinc/50/39/30/809503930.db2.gz	FAGGEMARBPFGKO-LLVKDONJSA-N	-1	0	290.323	0.439	20	30		CCEDRM
COCCn1ncc(C([O-])=C(C#N)C(=O)NC2CC2)c1C	ZINC001263296414	809504095	/nfs/dbraw/zinc/50/40/95/809504095.db2.gz	FAGGEMARBPFGKO-NSHDSACASA-N	-1	0	290.323	0.439	20	30		CCEDRM
Cc1[nH]nc(C(=O)N2CC[C@@H](CN(C)CC#N)C2)c1[O-]	ZINC001267581712	811478925	/nfs/dbraw/zinc/47/89/25/811478925.db2.gz	RUQYGTZAUKSVPS-JTQLQIEISA-N	-1	0	277.328	0.341	20	30		CCEDRM
N#C[C@@H]1CN(C(=O)c2cc3c(cc2O)OCO3)CCO1	ZINC000436556166	815498717	/nfs/dbraw/zinc/49/87/17/815498717.db2.gz	PPPHFLKTRLNLAF-MRVPVSSYSA-N	-1	0	276.248	0.485	20	30		CCEDRM
C=CCOC[C@H](CS(=O)(=O)[O-])OCc1c[nH]cn1	ZINC001223000220	812064271	/nfs/dbraw/zinc/06/42/71/812064271.db2.gz	LLLZYEQMZZGAHL-SNVBAGLBSA-N	-1	0	276.314	0.385	20	30		CCEDRM
C=CCCC(=O)NC[C@H](C)N(C)C(=O)c1n[nH]c(C)c1[O-]	ZINC001280439513	814744024	/nfs/dbraw/zinc/74/40/24/814744024.db2.gz	OPHDDKWTPINLSC-VIFPVBQESA-N	-1	0	294.355	0.967	20	30		CCEDRM
Cn1c(=O)[n-]c(N[C@@H]2CC[C@H]3C[C@H]3C2)c(C#N)c1=O	ZINC001120857646	816245745	/nfs/dbraw/zinc/24/57/45/816245745.db2.gz	JJWFCFWFIPHLER-XHNCKOQMSA-N	-1	0	260.297	0.546	20	30		CCEDRM
C=CCC[C@H](NC(=O)c1cnn(C)c1C)C(=O)[O-]	ZINC000316219883	816559254	/nfs/dbraw/zinc/55/92/54/816559254.db2.gz	BYKUFKBYIYUVNN-JTQLQIEISA-N	-1	0	251.286	0.878	20	30		CCEDRM
C=CCN(CC(=O)[O-])C(=O)N[C@H]1CO[C@H](C2CC2)C1	ZINC000691258781	817580209	/nfs/dbraw/zinc/58/02/09/817580209.db2.gz	YTRHJMCBFWSETC-MNOVXSKESA-N	-1	0	268.313	0.836	20	30		CCEDRM
N#Cc1cc([N+](=O)[O-])ccc1-n1[n-]c(=O)nc1C[NH3+]	ZINC001168760846	819759340	/nfs/dbraw/zinc/75/93/40/819759340.db2.gz	GEKOCINCKYZRET-UHFFFAOYSA-N	-1	0	260.213	0.211	20	30		CCEDRM
Cc1[nH]nc(C(=O)N2CC[C@H]3[C@@H](CCN3CC#N)C2)c1[O-]	ZINC001036691597	820022195	/nfs/dbraw/zinc/02/21/95/820022195.db2.gz	RWUBWBCAADFYPA-QWRGUYRKSA-N	-1	0	289.339	0.484	20	30		CCEDRM
Cc1[nH]nc(C(=O)N2CC[C@H]3[C@H](CCN3CC#N)C2)c1[O-]	ZINC001036691596	820022378	/nfs/dbraw/zinc/02/23/78/820022378.db2.gz	RWUBWBCAADFYPA-MNOVXSKESA-N	-1	0	289.339	0.484	20	30		CCEDRM
Cc1cc(N2CCO[C@](C)(C(=O)[O-])C2)c(C#N)cn1	ZINC000711535322	820048361	/nfs/dbraw/zinc/04/83/61/820048361.db2.gz	LDCMHMXFPCNQQV-ZDUSSCGKSA-N	-1	0	261.281	0.942	20	30		CCEDRM
C=CC[C@H](NC(=O)[C@@H]1CCc2ncncc2C1)C(=O)[O-]	ZINC001118219308	820110569	/nfs/dbraw/zinc/11/05/69/820110569.db2.gz	VOLRAEQEYSUDDK-SKDRFNHKSA-N	-1	0	275.308	0.727	20	30		CCEDRM
COc1cc(N[C@@H]2SC(=O)[N-]C2=O)ncc1C#N	ZINC001155838025	822258774	/nfs/dbraw/zinc/25/87/74/822258774.db2.gz	VZOSOHXXRBHMPB-SECBINFHSA-N	-1	0	264.266	0.683	20	30		CCEDRM
COc1nc(N[C@H]2SC(=O)[N-]C2=O)c(F)cc1C#N	ZINC001155844667	822263825	/nfs/dbraw/zinc/26/38/25/822263825.db2.gz	RLGVNCFJDKPYKL-VIFPVBQESA-N	-1	0	282.256	0.822	20	30		CCEDRM
Cc1cc(C(=O)[N-]S(=O)(=O)CC2(C#N)CC2)n(C)n1	ZINC000793203517	837406728	/nfs/dbraw/zinc/40/67/28/837406728.db2.gz	MNMDYOQKOGTHMO-UHFFFAOYSA-N	-1	0	282.325	0.092	20	30		CCEDRM
C[C@@]1(C(=O)[N-]S(=O)(=O)CC2(C#N)CC2)CCCOC1	ZINC000793204010	837407418	/nfs/dbraw/zinc/40/74/18/837407418.db2.gz	IOCRAFLQGOCIPT-LLVKDONJSA-N	-1	0	286.353	0.553	20	30		CCEDRM
O=C(CCC(=O)N1CC[C@H](CO)[C@@H](O)C1)C1=CC=C[CH]1	ZINC001184245531	844187358	/nfs/dbraw/zinc/18/73/58/844187358.db2.gz	XMZDVUORLGJVSP-OCCSQVGLSA-N	-1	0	278.328	0.238	20	30		CCEDRM
CC(C)(C)OC(=O)N(CCC#N)CC(=O)[N-]C#N	ZINC001184861909	844301882	/nfs/dbraw/zinc/30/18/82/844301882.db2.gz	QQAROCGVGOAGSK-UHFFFAOYSA-N	-1	0	252.274	0.734	20	30		CCEDRM
COC(=O)CCCNC(=O)c1[n-]c(=O)c(C#N)cc1C	ZINC001135922206	839472493	/nfs/dbraw/zinc/47/24/93/839472493.db2.gz	CVVHTMIDSNTMPD-UHFFFAOYSA-N	-1	0	277.280	0.650	20	30		CCEDRM
N#CCCCCNC(=O)CCCn1c(=O)[n-][nH]c1=O	ZINC001136708904	839729892	/nfs/dbraw/zinc/72/98/92/839729892.db2.gz	REBGYHYBEFHWRR-UHFFFAOYSA-N	-1	0	267.289	0.280	20	30		CCEDRM
CC(=O)N[C@@H](CS)C(=O)Nc1ccc(F)c(O)c1	ZINC001144411234	840036337	/nfs/dbraw/zinc/03/63/37/840036337.db2.gz	ZMENXLSMMOZQMT-VIFPVBQESA-N	-1	0	272.301	0.904	20	30		CCEDRM
N#CNC(=NC(=O)c1cc(O)c([O-])c(O)c1)c1ccncc1	ZINC001148589544	840852847	/nfs/dbraw/zinc/85/28/47/840852847.db2.gz	AYWYPLPHNLBUDL-UHFFFAOYSA-N	-1	0	298.258	0.856	20	30		CCEDRM
COCCOc1ccc(NC(=N[O-])c2nonc2N)cc1	ZINC001175784414	842280584	/nfs/dbraw/zinc/28/05/84/842280584.db2.gz	RHJOMXRXPKFUTR-UHFFFAOYSA-N	-1	0	293.283	0.925	20	30		CCEDRM
COC(=O)NCC(=O)Nc1cc(C#N)c(F)cc1[O-]	ZINC001182160570	843739189	/nfs/dbraw/zinc/73/91/89/843739189.db2.gz	RLIWWZRSTXMPTJ-UHFFFAOYSA-N	-1	0	267.216	0.697	20	30		CCEDRM
N#Cc1cc(NC(=O)[C@H]2C[C@@H]2C(N)=O)c([O-])cc1F	ZINC001182382825	843781832	/nfs/dbraw/zinc/78/18/32/843781832.db2.gz	LVDCTUOEZXUPPR-BQBZGAKWSA-N	-1	0	263.228	0.463	20	30		CCEDRM
N#Cc1ccccc1C1(C(=O)N[C@@H]2CO[N-]C2=O)CC1	ZINC001183293965	844000131	/nfs/dbraw/zinc/00/01/31/844000131.db2.gz	XEOIYNNSXUGZBR-LLVKDONJSA-N	-1	0	271.276	0.136	20	30		CCEDRM
C=CCC1(S(=O)(=O)NCC(=O)CCC(=O)[O-])CC1	ZINC001190836331	845516140	/nfs/dbraw/zinc/51/61/40/845516140.db2.gz	QMWIMFXBPGBWFW-UHFFFAOYSA-N	-1	0	275.326	0.448	20	30		CCEDRM
COC(=O)[C@H](CS)NC(=O)c1cc(F)c([O-])cc1F	ZINC001192876030	845920647	/nfs/dbraw/zinc/92/06/47/845920647.db2.gz	IITDLBOQUYLOJF-QMMMGPOBSA-N	-1	0	291.275	0.872	20	30		CCEDRM
N#CCS(=O)(=O)[N-]c1cnc(C(F)(F)F)nc1	ZINC001192939664	845943339	/nfs/dbraw/zinc/94/33/39/845943339.db2.gz	VFIZSVDBGVIZSV-UHFFFAOYSA-N	-1	0	266.204	0.761	20	30		CCEDRM
N#CCS(=O)(=O)[N-]c1cccc2c1OCC[C@@H]2O	ZINC001192982597	845943493	/nfs/dbraw/zinc/94/34/93/845943493.db2.gz	TXTBSBRUIZVEPR-JTQLQIEISA-N	-1	0	268.294	0.768	20	30		CCEDRM
COC(=O)c1cc([N-]S(=O)(=O)CC#N)cn1C	ZINC001192939007	845943634	/nfs/dbraw/zinc/94/36/34/845943634.db2.gz	KLAWRXUQEGPKNR-UHFFFAOYSA-N	-1	0	257.271	0.077	20	30		CCEDRM
COc1cc(C#N)cc([N-]S(=O)(=O)CC#N)c1	ZINC001192985741	845944743	/nfs/dbraw/zinc/94/47/43/845944743.db2.gz	MBGGEWGUBWRFSD-UHFFFAOYSA-N	-1	0	251.267	0.832	20	30		CCEDRM
N#CCS(=O)(=O)[N-]c1cccc(C(N)=O)c1F	ZINC001192985339	845944897	/nfs/dbraw/zinc/94/48/97/845944897.db2.gz	AJNCIVFQRFMCPN-UHFFFAOYSA-N	-1	0	257.246	0.190	20	30		CCEDRM
C[C@@H](C#N)S(=O)(=O)[N-]c1cnn2c1OCC(C)(C)C2	ZINC001193112964	845982353	/nfs/dbraw/zinc/98/23/53/845982353.db2.gz	WYOPGFVEDMJWHF-QMMMGPOBSA-N	-1	0	284.341	0.955	20	30		CCEDRM
COC(=O)c1ccc(O)c([N-]S(=O)(=O)[C@H](C)C#N)c1	ZINC001193146003	846004366	/nfs/dbraw/zinc/00/43/66/846004366.db2.gz	FFOWOJCYBHPHMI-SSDOTTSWSA-N	-1	0	284.293	0.833	20	30		CCEDRM
COc1ccc(C(N)=O)c([N-]S(=O)(=O)[C@H](C)C#N)c1	ZINC001193148799	846005319	/nfs/dbraw/zinc/00/53/19/846005319.db2.gz	FLAVDOJIDPDTRH-SSDOTTSWSA-N	-1	0	283.309	0.448	20	30		CCEDRM
C[C@H](C#N)S(=O)(=O)NCC(=O)c1ccc(O)cc1	ZINC001193194872	846013857	/nfs/dbraw/zinc/01/38/57/846013857.db2.gz	WJRCCDOBMBLYJC-MRVPVSSYSA-N	-1	0	268.294	0.406	20	30		CCEDRM
C#Cc1cccnc1[N-]S(=O)(=O)C[C@@H]1CCCO1	ZINC001193205661	846018633	/nfs/dbraw/zinc/01/86/33/846018633.db2.gz	LFIUMWZTHZPVQP-NSHDSACASA-N	-1	0	266.322	0.984	20	30		CCEDRM
C#Cc1cnc([N-]S(=O)(=O)C[C@H]2CCCO2)c(C#C)n1	ZINC001193208331	846020553	/nfs/dbraw/zinc/02/05/53/846020553.db2.gz	UZRPGIJKZJFEJJ-LLVKDONJSA-N	-1	0	291.332	0.360	20	30		CCEDRM
C=CC[C@@](C)(NC(=O)c1cc(=O)[nH][n-]1)C(=O)OC	ZINC001193475451	846087205	/nfs/dbraw/zinc/08/72/05/846087205.db2.gz	YXDGPXOUCKVSEW-LLVKDONJSA-N	-1	0	253.258	0.353	20	30		CCEDRM
CCN(CCC(N)=O)C(=O)c1ccc([O-])c(C#N)c1	ZINC001193504417	846101541	/nfs/dbraw/zinc/10/15/41/846101541.db2.gz	RLRIDYWGJFHMBT-UHFFFAOYSA-N	-1	0	261.281	0.601	20	30		CCEDRM
Cc1nsc([N-]S(=O)(=O)c2nccn2C)c1C#N	ZINC001193551342	846117052	/nfs/dbraw/zinc/11/70/52/846117052.db2.gz	ZESLWMBSVPQINK-UHFFFAOYSA-N	-1	0	283.338	0.858	20	30		CCEDRM
CC1(C)C(=O)NCCN1C(=O)c1cccc(C#N)c1[O-]	ZINC001193644224	846135706	/nfs/dbraw/zinc/13/57/06/846135706.db2.gz	SWCRVWAFYNCENM-UHFFFAOYSA-N	-1	0	273.292	0.614	20	30		CCEDRM
COC(=O)[C@@H]1C[C@H]1CNC(=O)c1cccc(C#N)c1[O-]	ZINC001193659355	846139899	/nfs/dbraw/zinc/13/98/99/846139899.db2.gz	LTLFJDFEABPUGK-GXSJLCMTSA-N	-1	0	274.276	0.803	20	30		CCEDRM
COC(=O)c1cc(C(=O)Nc2c[nH]nc2C#N)n[n-]1	ZINC001194282418	846262649	/nfs/dbraw/zinc/26/26/49/846262649.db2.gz	HYAKGTSDIUZUSM-UHFFFAOYSA-N	-1	0	260.213	0.043	20	30		CCEDRM
Cc1cc(C#N)cc(C(=O)N[C@H]2SC(=O)[N-]C2=O)c1	ZINC001195429962	846540617	/nfs/dbraw/zinc/54/06/17/846540617.db2.gz	WJAGOLVRHCGVSV-NSHDSACASA-N	-1	0	275.289	0.906	20	30		CCEDRM
CCOC([O-])=NC(=S)N=C(NO)c1ccc(OC)cn1	ZINC001195503211	846555117	/nfs/dbraw/zinc/55/51/17/846555117.db2.gz	QRZYPIDPYYHDLL-UHFFFAOYSA-N	-1	0	298.324	0.847	20	30		CCEDRM
C=CC(=O)NCCNC(=O)c1ccc(C#N)cc1[O-]	ZINC001195763636	846611285	/nfs/dbraw/zinc/61/12/85/846611285.db2.gz	ATDZSJXHYZNBKZ-UHFFFAOYSA-N	-1	0	259.265	0.296	20	30		CCEDRM
CCOC(=O)CS(=O)(=O)[N-]c1cnccc1C#N	ZINC001195939187	846644155	/nfs/dbraw/zinc/64/41/55/846644155.db2.gz	PFLMJHJLWLWQRR-UHFFFAOYSA-N	-1	0	269.282	0.258	20	30		CCEDRM
CCOC(=O)CS(=O)(=O)[N-]c1c(C#N)cccc1C#N	ZINC001195968397	846656765	/nfs/dbraw/zinc/65/67/65/846656765.db2.gz	ZMPIQDADCGKXQY-UHFFFAOYSA-N	-1	0	293.304	0.735	20	30		CCEDRM
COC(=O)n1ncc(C#N)c1[N-]C(=O)c1ncc(F)cn1	ZINC001197218297	846881225	/nfs/dbraw/zinc/88/12/25/846881225.db2.gz	CKRKFOUHLDEKJN-UHFFFAOYSA-N	-1	0	290.214	0.551	20	30		CCEDRM
C#Cc1cc([N-]S(=O)(=O)c2cc(C)ccn2)ccn1	ZINC001197954474	847008076	/nfs/dbraw/zinc/00/80/76/847008076.db2.gz	KTYYYFXWBZGSCH-UHFFFAOYSA-N	-1	0	273.317	0.989	20	30		CCEDRM
COC(=O)[C@H](CCC(=O)[O-])NC(=O)c1ccc(C#N)[nH]1	ZINC001199681279	847398913	/nfs/dbraw/zinc/39/89/13/847398913.db2.gz	QVUJSZSZUUJBAA-VIFPVBQESA-N	-1	0	279.252	0.023	20	30		CCEDRM
COC(=O)CCCS(=O)(=O)[N-]c1cncc(C#N)n1	ZINC001201905533	847832875	/nfs/dbraw/zinc/83/28/75/847832875.db2.gz	VNWSBKJAEUIRDE-UHFFFAOYSA-N	-1	0	284.297	0.043	20	30		CCEDRM
C#Cc1cc([N-]S(=O)(=O)C(F)(F)F)ccn1	ZINC001252271989	847921591	/nfs/dbraw/zinc/92/15/91/847921591.db2.gz	DPSWOMJPUIUKHV-UHFFFAOYSA-N	-1	0	250.201	0.746	20	30		CCEDRM
COC(=O)CS(=O)(=O)[N-]c1cc(F)cc(C#N)c1	ZINC000720008896	848971044	/nfs/dbraw/zinc/97/10/44/848971044.db2.gz	VSVKIZJLGYMQMU-UHFFFAOYSA-N	-1	0	272.257	0.612	20	30		CCEDRM
C#CCCCNC(=O)N[C@](CC)(COC)C(=O)[O-]	ZINC000392788307	849421013	/nfs/dbraw/zinc/42/10/13/849421013.db2.gz	CAROUFTWHCHKAL-GFCCVEGCSA-N	-1	0	256.302	0.579	20	30		CCEDRM
C[C@H](CN(C)C(=O)Cc1ccc(C#N)nc1)C(=O)[O-]	ZINC000901646122	851785765	/nfs/dbraw/zinc/78/57/65/851785765.db2.gz	FFDKIDBOIHDMQP-SECBINFHSA-N	-1	0	261.281	0.675	20	30		CCEDRM
C#CC[C@H](NC(=O)Cn1ccc(C(F)(F)F)n1)C(=O)[O-]	ZINC000149792920	853997790	/nfs/dbraw/zinc/99/77/90/853997790.db2.gz	IWFLRFPKDUWZHJ-ZETCQYMHSA-N	-1	0	289.213	0.495	20	30		CCEDRM
C#CC[C@H](NC(=O)c1snnc1CC)C(=O)[O-]	ZINC000149982786	854011431	/nfs/dbraw/zinc/01/14/31/854011431.db2.gz	VOVSLWRSWXZBJS-ZETCQYMHSA-N	-1	0	253.283	0.307	20	30		CCEDRM
C#CC[C@@H](NC(=O)[C@H]1CC(=O)N(CC(C)C)C1)C(=O)[O-]	ZINC000149977279	854011514	/nfs/dbraw/zinc/01/15/14/854011514.db2.gz	NSSMSKXCKUUTKV-WDEREUQCSA-N	-1	0	280.324	0.084	20	30		CCEDRM
C=CCNC(=O)CNC(=O)[C@H]1CCC[C@@H](C(=O)[O-])C1	ZINC000393823519	854134191	/nfs/dbraw/zinc/13/41/91/854134191.db2.gz	LCEAYZFWPNMPSA-VHSXEESVSA-N	-1	0	268.313	0.296	20	30		CCEDRM
CCOC(=O)Cc1n[n-]c(=NC(=O)NCCC#N)s1	ZINC000488894039	854518929	/nfs/dbraw/zinc/51/89/29/854518929.db2.gz	STVOQJMPROMAQD-UHFFFAOYSA-N	-1	0	283.313	0.101	20	30		CCEDRM
C=CCN(CC(=O)[O-])C(=O)NCC1(COC)CC1	ZINC000691868831	855589270	/nfs/dbraw/zinc/58/92/70/855589270.db2.gz	XAMUJPJMVZVJCY-UHFFFAOYSA-N	-1	0	256.302	0.695	20	30		CCEDRM
CC1=CC(=O)C(=C([O-])C=Cc2cnnn2C)C(=O)O1	ZINC001116219147	855732928	/nfs/dbraw/zinc/73/29/28/855732928.db2.gz	CHZVEZNCYJTBLG-DLRQAJBASA-N	-1	0	261.237	0.043	20	30		CCEDRM
C=CC[C@H](NC(=O)C1(C#N)CCOCC1)C(=O)[O-]	ZINC001116921668	855868680	/nfs/dbraw/zinc/86/86/80/855868680.db2.gz	FOPFBPQOMJKKPN-VIFPVBQESA-N	-1	0	252.270	0.452	20	30		CCEDRM
C=C[C@H](C)O[N-]C(=O)C(=O)Nc1ccnc(COC)n1	ZINC001118488887	856314478	/nfs/dbraw/zinc/31/44/78/856314478.db2.gz	AVKBFSFTNSPCKB-QMMMGPOBSA-N	-1	0	280.284	0.184	20	30		CCEDRM
C#CCO[C@H](C)C(=O)N[C@H]1CCOC2(CC(C(=O)[O-])C2)C1	ZINC001119649598	856811956	/nfs/dbraw/zinc/81/19/56/856811956.db2.gz	RJSQJCGTIDDAQF-AKUZOMFGSA-N	-1	0	295.335	0.553	20	30		CCEDRM
N#Cc1csc(C(=O)NCc2nc(=O)o[n-]2)c1	ZINC001323318765	912260586	/nfs/dbraw/zinc/26/05/86/912260586.db2.gz	OGJRVBHOAHTPTA-UHFFFAOYSA-N	-1	0	250.239	0.226	20	30		CCEDRM
Cc1nnc([S-])n(N=Cc2c(Cl)nc(N)n2C)c1=O	ZINC001324253745	912741669	/nfs/dbraw/zinc/74/16/69/912741669.db2.gz	KYCTZPMSQOSQJD-UHFFFAOYSA-N	-1	0	299.747	0.087	20	30		CCEDRM
CC(C)CO[N-]C(=O)C(=O)NCC(C)(C)CC#N	ZINC001325687180	913523302	/nfs/dbraw/zinc/52/33/02/913523302.db2.gz	KDDOANKJILCKQZ-UHFFFAOYSA-N	-1	0	255.318	0.746	20	30		CCEDRM
C=CCO[C@@H]1CCN(C(=O)NCCCC(=O)[O-])C1	ZINC001326001331	913687429	/nfs/dbraw/zinc/68/74/29/913687429.db2.gz	HUYMUOGUFIDDBP-SNVBAGLBSA-N	-1	0	256.302	0.838	20	30		CCEDRM
Cc1cc(C=Nn2c(=O)c(C)n[n-]c2=S)ncn1	ZINC001326194745	913812576	/nfs/dbraw/zinc/81/25/76/913812576.db2.gz	WRZHHUWVGIGBPA-UHFFFAOYSA-N	-1	0	262.298	0.216	20	30		CCEDRM
C=C[C@@H](C)O[N-]C(=O)C(=O)Nc1cc(C)cn(C)c1=O	ZINC001326801126	914188558	/nfs/dbraw/zinc/18/85/58/914188558.db2.gz	TXOLBQUOAHVLSP-SECBINFHSA-N	-1	0	279.296	0.255	20	30		CCEDRM
N#Cc1cc(C(=O)NCC(=O)CCC(=O)[O-])ccn1	ZINC001191559729	900020584	/nfs/dbraw/zinc/02/05/84/900020584.db2.gz	UEWUCUZFZDCQEF-UHFFFAOYSA-N	-1	0	261.237	0.117	20	30		CCEDRM
COC(=O)c1ncccc1[N-]S(=O)(=O)[C@H](C)C#N	ZINC001193106222	900032017	/nfs/dbraw/zinc/03/20/17/900032017.db2.gz	NBLXQBCTVNBJJU-SSDOTTSWSA-N	-1	0	269.282	0.522	20	30		CCEDRM
COc1cc(F)ncc1[N-]S(=O)(=O)[C@H](C)C#N	ZINC001193110749	900034208	/nfs/dbraw/zinc/03/42/08/900034208.db2.gz	BSZOSUUUPMQVDO-ZCFIWIBFSA-N	-1	0	259.262	0.883	20	30		CCEDRM
COC(=O)[C@@H](CF)NC(=O)c1[n-]c(=O)c(C#N)cc1C	ZINC001412188971	901537617	/nfs/dbraw/zinc/53/76/17/901537617.db2.gz	QBFJYUZRYDYHLY-MRVPVSSYSA-N	-1	0	281.243	0.208	20	30		CCEDRM
Cc1cc(C#N)c(=O)[n-]c1C(=O)N1CC[C@@H](c2ncon2)C1	ZINC001412581815	901842835	/nfs/dbraw/zinc/84/28/35/901842835.db2.gz	BWEBBSNEEUMFLZ-SECBINFHSA-N	-1	0	299.290	0.980	20	30		CCEDRM
Cc1cnc(SCC(=O)NCCC#N)[nH]c1=O	ZINC001327567001	914621039	/nfs/dbraw/zinc/62/10/39/914621039.db2.gz	RJWCLMSUVCRGRR-UHFFFAOYSA-N	-1	0	252.299	0.613	20	30		CCEDRM
Cn1c(C#N)ccc1C(=O)N1CC[C@@H](c2nnn[n-]2)C1	ZINC001413466783	902973075	/nfs/dbraw/zinc/97/30/75/902973075.db2.gz	HJBDINLHKXMOFT-MRVPVSSYSA-N	-1	0	271.284	0.040	20	30		CCEDRM
N#Cc1ccc(C(=O)NC2(c3nnn[n-]3)CCC2)s1	ZINC001413512478	903004432	/nfs/dbraw/zinc/00/44/32/903004432.db2.gz	WLVSSXFTTHMACY-UHFFFAOYSA-N	-1	0	274.309	0.942	20	30		CCEDRM
N#C[C@H](CO)NC(=O)c1ccc2[n-]c(=S)oc2c1	ZINC001468042961	903206431	/nfs/dbraw/zinc/20/64/31/903206431.db2.gz	IEZGSPMMLKJIJZ-SSDOTTSWSA-N	-1	0	263.278	0.731	20	30		CCEDRM
C=CC(C)(C)C(=O)NC[C@@H](C)N(C)Cc1n[nH]c(=O)[n-]1	ZINC001282443164	904478484	/nfs/dbraw/zinc/47/84/84/904478484.db2.gz	FNNHFKCFPQJKTG-SECBINFHSA-N	-1	0	281.360	0.659	20	30		CCEDRM
CO[N-]C(=O)CNC(=O)Nc1ccc(F)c(C#N)c1	ZINC001310249938	908489252	/nfs/dbraw/zinc/48/92/52/908489252.db2.gz	JGGDTYGSHBVBJC-UHFFFAOYSA-N	-1	0	266.232	0.496	20	30		CCEDRM
C=CC[C@H](NC(=O)NCCCO[C@@H]1CCOC1)C(=O)[O-]	ZINC001321109990	911094851	/nfs/dbraw/zinc/09/48/51/911094851.db2.gz	JQUITLBXGJCXAW-MNOVXSKESA-N	-1	0	286.328	0.511	20	30		CCEDRM
C=CC[C@@H](NC(=O)CC(=O)NCC(F)(F)F)C(=O)[O-]	ZINC001321340484	911243048	/nfs/dbraw/zinc/24/30/48/911243048.db2.gz	XGMXSTYPQCVPBU-ZCFIWIBFSA-N	-1	0	282.218	0.201	20	30		CCEDRM
C=CC[C@H](NC(=O)CC(=O)NCC(F)(F)F)C(=O)[O-]	ZINC001321340483	911244463	/nfs/dbraw/zinc/24/44/63/911244463.db2.gz	XGMXSTYPQCVPBU-LURJTMIESA-N	-1	0	282.218	0.201	20	30		CCEDRM
CC[C@@H]1CC[C@@H](C)N1c1[n-]c(=O)n(C)c(=O)c1C#N	ZINC001339648757	921785975	/nfs/dbraw/zinc/78/59/75/921785975.db2.gz	KMPOEPVQSDNDBF-RKDXNWHRSA-N	-1	0	262.313	0.713	20	30		CCEDRM
Cc1nnc([S-])n(N=Cc2cc3n(n2)CCC3)c1=O	ZINC001330637769	916755610	/nfs/dbraw/zinc/75/56/10/916755610.db2.gz	VURHJXPLQFNALP-UHFFFAOYSA-N	-1	0	276.325	0.260	20	30		CCEDRM
CC#CCS(=O)(=O)[N-]C(=O)C[C@H]1CC(C)(C)CO1	ZINC001331480832	917360847	/nfs/dbraw/zinc/36/08/47/917360847.db2.gz	CLNCITHJXZQJHE-JTQLQIEISA-N	-1	0	273.354	0.661	20	30		CCEDRM
C#CCO[C@H](C)C(=O)NC1(C(=O)[O-])Cc2ccccc2C1	ZINC001332158142	917917637	/nfs/dbraw/zinc/91/76/37/917917637.db2.gz	AFJLKLVLXQOWLH-LLVKDONJSA-N	-1	0	287.315	0.763	20	30		CCEDRM
C=CCCC[C@@H](NC(=O)CO[C@@H]1CCOC1)C(=O)[O-]	ZINC001332164429	917925106	/nfs/dbraw/zinc/92/51/06/917925106.db2.gz	BBYAENIWDYYRQE-GHMZBOCLSA-N	-1	0	271.313	0.718	20	30		CCEDRM
C=CCOC[C@@H](NCc1cn(C2CCC2)nn1)C(=O)[O-]	ZINC001332424571	918149294	/nfs/dbraw/zinc/14/92/94/918149294.db2.gz	YRQUNEXDHYUKJS-GFCCVEGCSA-N	-1	0	280.328	0.749	20	30		CCEDRM
N#CC1(CS(=O)(=O)[N-]C(=O)CCF)CCCC1	ZINC001334240804	919448809	/nfs/dbraw/zinc/44/88/09/919448809.db2.gz	IUQUQAAFYADHJT-UHFFFAOYSA-N	-1	0	262.306	0.876	20	30		CCEDRM
COCCOCc1cc(C#N)ccc1NCC(=O)[N-]OC	ZINC001334317232	919493560	/nfs/dbraw/zinc/49/35/60/919493560.db2.gz	CJWWZLLWWYJIOK-UHFFFAOYSA-N	-1	0	293.323	0.811	20	30		CCEDRM
CCN1CCOC[C@H]1C(=O)Nc1cc(C#N)ccc1[O-]	ZINC001336372065	920743008	/nfs/dbraw/zinc/74/30/08/920743008.db2.gz	ZVSCTTBZCNGVPT-LBPRGKRZSA-N	-1	0	275.308	0.923	20	30		CCEDRM
Cn1c(=O)[n-]c(N2C[C@@H]3[C@@H]4C=C[C@@H](C4)[C@]3(C)C2)c(C#N)c1=O	ZINC001339840762	921846888	/nfs/dbraw/zinc/84/68/88/921846888.db2.gz	MZJUDGSDHJXWNC-HDINQQKLSA-N	-1	0	298.346	0.594	20	30		CCEDRM
C=C(CC)CNC(=O)N[C@@H]1CCCCN(CC(=O)[O-])C1=O	ZINC001341368383	922448336	/nfs/dbraw/zinc/44/83/36/922448336.db2.gz	MKIIRKADKMMILE-LLVKDONJSA-N	-1	0	297.355	0.718	20	30		CCEDRM
CC(C)(C)n1nnc(C([O-])=C(C#N)C(=O)NC2CC2)n1	ZINC001341950037	922733795	/nfs/dbraw/zinc/73/37/95/922733795.db2.gz	NZWJLSVEWRPNSI-QMMMGPOBSA-N	-1	0	276.300	0.029	20	30		CCEDRM
CNC(=O)C(C#N)=C([O-])c1ccc([C@H]2CCC(=O)N2)cc1	ZINC001341953407	922736230	/nfs/dbraw/zinc/73/62/30/922736230.db2.gz	DQRCEBHTPNQROR-NWDGAFQWSA-N	-1	0	285.303	0.706	20	30		CCEDRM
C=C[C@@](C)(CCOC)C(=O)[N-]S(=O)(=O)C(F)F	ZINC001343271554	923254932	/nfs/dbraw/zinc/25/49/32/923254932.db2.gz	ALRFTLOCLXACCV-VIFPVBQESA-N	-1	0	271.285	0.884	20	30		CCEDRM
Cc1noc(CCC(=O)C(C#N)=C([O-])c2nccn2C)n1	ZINC001343311864	923268379	/nfs/dbraw/zinc/26/83/79/923268379.db2.gz	HBFNCWMWHKEGRL-VIFPVBQESA-N	-1	0	287.279	0.636	20	30		CCEDRM
Cn1ccnc1C([O-])=C(C#N)C(=O)[C@H]1CCC(=O)C1	ZINC001343385173	923293960	/nfs/dbraw/zinc/29/39/60/923293960.db2.gz	JPELQDHPZJOTOU-WCBMZHEXSA-N	-1	0	259.265	0.681	20	30		CCEDRM
CCOCCCNC(=O)C(C#N)=C([O-])c1cncn1C	ZINC001343473771	923335304	/nfs/dbraw/zinc/33/53/04/923335304.db2.gz	NFJKWMOEFVHDLS-JTQLQIEISA-N	-1	0	278.312	0.285	20	30		CCEDRM
CNC(=O)C(C#N)=C([O-])c1ccc(CN2CCCC2=O)cc1	ZINC001344543946	923631986	/nfs/dbraw/zinc/63/19/86/923631986.db2.gz	SPBHVFWNINMACB-CYBMUJFWSA-N	-1	0	299.330	0.877	20	30		CCEDRM
CCn1ncc(Cl)c1C([O-])=C(C#N)C(=O)NC	ZINC001346121891	924080825	/nfs/dbraw/zinc/08/08/25/924080825.db2.gz	NDWBUWPNVDERFR-ZCFIWIBFSA-N	-1	0	254.677	0.625	20	30		CCEDRM
CC[C@H](NN=Cc1c(Cl)nc(OC)n1C)C(=O)[O-]	ZINC001347634397	924499228	/nfs/dbraw/zinc/49/92/28/924499228.db2.gz	NSZROUJWLRICDX-LURJTMIESA-N	-1	0	274.708	0.869	20	30		CCEDRM
Cn1c(=O)[n-]c(NC2C(C)(C)C2(C)C)c(C#N)c1=O	ZINC001348021746	924579723	/nfs/dbraw/zinc/57/97/23/924579723.db2.gz	VJVAUYWYQRUTBM-UHFFFAOYSA-N	-1	0	262.313	0.792	20	30		CCEDRM
Cn1c(=O)[n-]c(NCC#C[Si](C)(C)C)c(C#N)c1=O	ZINC001348272363	924634201	/nfs/dbraw/zinc/63/42/01/924634201.db2.gz	ZHKGXWHZQPQKMH-UHFFFAOYSA-N	-1	0	276.372	0.238	20	30		CCEDRM
C=C(C)CCC(=O)NCCNC(=O)c1[nH]nc(C)c1[O-]	ZINC001348787648	924804006	/nfs/dbraw/zinc/80/40/06/924804006.db2.gz	BYISWWKVBHSKSL-UHFFFAOYSA-N	-1	0	280.328	0.626	20	30		CCEDRM
C=C(C)CCC(=O)NCCNC(=O)c1c(C)nc[nH]c1=O	ZINC001349142420	924890130	/nfs/dbraw/zinc/89/01/30/924890130.db2.gz	DSFOLHXQTUBKNL-UHFFFAOYSA-N	-1	0	292.339	0.693	20	30		CCEDRM
C=CC[C@@H](NC(=O)[C@@H]1C[C@H]1c1cncn1C)C(=O)[O-]	ZINC001350768052	925275140	/nfs/dbraw/zinc/27/51/40/925275140.db2.gz	IZLPFZNRLDSAQC-OPRDCNLKSA-N	-1	0	263.297	0.669	20	30		CCEDRM
C=CCn1c(Cc2nn[nH]n2)nnc1N(C)[C@@H](C)C1CC1	ZINC001351668749	925453349	/nfs/dbraw/zinc/45/33/49/925453349.db2.gz	ITUWVQLHIASUIS-VIFPVBQESA-N	-1	0	288.359	0.803	20	30		CCEDRM
CO[C@@](C)(C(=O)Nc1nc(C#N)c(C#N)[n-]1)C1CC1	ZINC001300045143	925593818	/nfs/dbraw/zinc/59/38/18/925593818.db2.gz	VEZRESKEIUQJGB-GFCCVEGCSA-N	-1	0	259.269	0.907	20	30		CCEDRM
C=CC[C@@H](NC(=O)C[C@@H](C)n1cccn1)C(=O)[O-]	ZINC001354047093	925995634	/nfs/dbraw/zinc/99/56/34/925995634.db2.gz	LROZLMWPFJZXKS-NXEZZACHSA-N	-1	0	251.286	0.980	20	30		CCEDRM
C#CCCN1CCN(C(=O)c2csc(C(=O)[O-])n2)CC1	ZINC001354073513	926008422	/nfs/dbraw/zinc/00/84/22/926008422.db2.gz	NPMLWLHMRBPXGB-UHFFFAOYSA-N	-1	0	293.348	0.622	20	30		CCEDRM
C#CCN(CC#C)c1nnc(-c2c[n-]n(CC)c2=O)n1C	ZINC001355718578	926305771	/nfs/dbraw/zinc/30/57/71/926305771.db2.gz	OEDZGZRLBPANTE-UHFFFAOYSA-N	-1	0	284.323	0.477	20	30		CCEDRM
C#CC[C@H](NC(=O)c1snnc1C(C)C)C(=O)[O-]	ZINC000149604126	926942574	/nfs/dbraw/zinc/94/25/74/926942574.db2.gz	OIGYYNMJFWDASQ-ZETCQYMHSA-N	-1	0	267.310	0.868	20	30		CCEDRM
C#CC[C@H](NC(=O)c1cnn2c1nc(C)cc2C)C(=O)[O-]	ZINC000149955996	926943727	/nfs/dbraw/zinc/94/37/27/926943727.db2.gz	PJSUNPVXHWWKDY-NSHDSACASA-N	-1	0	286.291	0.552	20	30		CCEDRM
Cc1ncccc1NC(=O)Cn1cc(C#N)c(=O)[n-]c1=O	ZINC001361953268	927473200	/nfs/dbraw/zinc/47/32/00/927473200.db2.gz	XUODSMQUGJBQEX-UHFFFAOYSA-N	-1	0	285.263	0.163	20	30		CCEDRM
N#C[C@@]1(C(=O)NCc2n[nH]c(=O)[n-]2)CC2CCC1CC2	ZINC001362066523	927579152	/nfs/dbraw/zinc/57/91/52/927579152.db2.gz	WUNJNNSFJKAAGQ-RPTIHFLNSA-N	-1	0	275.312	0.847	20	30		CCEDRM
C[C@H](CC#N)NC(=O)c1cccc(-n2[n-]nnc2=N)c1	ZINC001362146231	927662915	/nfs/dbraw/zinc/66/29/15/927662915.db2.gz	ZHJBRFCLSGAZFO-MRVPVSSYSA-N	-1	0	271.284	0.107	20	30		CCEDRM
Cc1cc(C#N)c(=O)[n-]c1C(=O)N[C@@H](C)CS(C)(=O)=O	ZINC001362280618	927819896	/nfs/dbraw/zinc/81/98/96/927819896.db2.gz	XKEXEAYKDHWNJI-QMMMGPOBSA-N	-1	0	297.336	0.130	20	30		CCEDRM
Cc1cc(C(=O)N(C)C[C@H](C)c2nnn[n-]2)ncc1C#N	ZINC001362304799	927852296	/nfs/dbraw/zinc/85/22/96/927852296.db2.gz	ZCJXHOPUIPUTOV-VIFPVBQESA-N	-1	0	285.311	0.651	20	30		CCEDRM
Cc1cc(C#N)c(=O)[n-]c1C(=O)N1CCN(C)C(=O)[C@H]1C	ZINC001362517095	928124687	/nfs/dbraw/zinc/12/46/87/928124687.db2.gz	IEMFQCRTCYFUSD-SECBINFHSA-N	-1	0	288.307	0.270	20	30		CCEDRM
N#CCc1ccccc1C(=O)NCCc1nc(=O)o[n-]1	ZINC001362770760	928467930	/nfs/dbraw/zinc/46/79/30/928467930.db2.gz	BZDCJOYWTUDGAP-UHFFFAOYSA-N	-1	0	272.264	0.401	20	30		CCEDRM
CCC[C@H](O)[C@@H](CO)NC(=O)c1[n-]c(=O)c(C#N)cc1C	ZINC001362841068	928559395	/nfs/dbraw/zinc/55/93/95/928559395.db2.gz	XJIAOWHJTZUXBE-MNOVXSKESA-N	-1	0	293.323	0.219	20	30		CCEDRM
N#Cc1cn(CCC(=O)N[C@@H]2[C@@H]3CCC[C@@H]32)c(=O)[n-]c1=O	ZINC001363066478	928827512	/nfs/dbraw/zinc/82/75/12/928827512.db2.gz	PWIDJCVKRGFZPT-PEGIJTEDSA-N	-1	0	288.307	0.125	20	30		CCEDRM
COc1cc(Oc2[n-]c(=O)n(C)c(=O)c2C#N)ccc1F	ZINC001363145150	928916577	/nfs/dbraw/zinc/91/65/77/928916577.db2.gz	BSTUTTFWJJFMMY-UHFFFAOYSA-N	-1	0	291.238	0.885	20	30		CCEDRM
N#Cc1c[n-]n2c1nc(CN1CCOC[C@H]1C#N)cc2=O	ZINC001363196679	928967292	/nfs/dbraw/zinc/96/72/92/928967292.db2.gz	JWCHYXBVBYUKLA-LLVKDONJSA-N	-1	0	284.279	0.031	20	30		CCEDRM
CC(C)C1(O)CN(Cc2cc(=O)n3[n-]cc(C#N)c3n2)C1	ZINC001363233246	929005364	/nfs/dbraw/zinc/00/53/64/929005364.db2.gz	IRGDQJLRAIKDRI-UHFFFAOYSA-N	-1	0	287.323	0.509	20	30		CCEDRM
C=C(Cl)C[C@@H](NC(=O)c1c[n-]ncc1=O)C(=O)OCC	ZINC001363244603	929018876	/nfs/dbraw/zinc/01/88/76/929018876.db2.gz	VIPXBXCQDDFLEP-SECBINFHSA-N	-1	0	299.714	0.986	20	30		CCEDRM
C=C(Cl)C[C@H](NC(=O)c1c[n-]ncc1=O)C(=O)OCC	ZINC001363244605	929019662	/nfs/dbraw/zinc/01/96/62/929019662.db2.gz	VIPXBXCQDDFLEP-VIFPVBQESA-N	-1	0	299.714	0.986	20	30		CCEDRM
CCCC(C)(C)C(=O)NCCn1cc(C#N)c(=O)[n-]c1=O	ZINC001363481592	929286667	/nfs/dbraw/zinc/28/66/67/929286667.db2.gz	HXMVDMKVUHBUPQ-UHFFFAOYSA-N	-1	0	292.339	0.763	20	30		CCEDRM
C[C@@H](NC(=O)c1ccc(C#N)n1C)c1nn(C)cc1[O-]	ZINC001363657721	929460066	/nfs/dbraw/zinc/46/00/66/929460066.db2.gz	CDLQGTCPJJMWHL-MRVPVSSYSA-N	-1	0	273.296	0.827	20	30		CCEDRM
Cn1c(=O)[n-]c(Nc2cnn(C(F)F)c2)c(C#N)c1=O	ZINC001363730432	929527227	/nfs/dbraw/zinc/52/72/27/929527227.db2.gz	JEMRCGSQHZEGPO-UHFFFAOYSA-N	-1	0	282.210	0.280	20	30		CCEDRM
Cn1c(=O)[n-]c(NCC=C(Cl)Cl)c(C#N)c1=O	ZINC001363747710	929542465	/nfs/dbraw/zinc/54/24/65/929542465.db2.gz	DJOUDRMZECZQHS-UHFFFAOYSA-N	-1	0	275.095	0.676	20	30		CCEDRM
COc1ccc(CNC(=O)c2cc(=O)n(C)[n-]2)cc1C#N	ZINC001363753253	929547436	/nfs/dbraw/zinc/54/74/36/929547436.db2.gz	OFKSERFSENZZPJ-UHFFFAOYSA-N	-1	0	286.291	0.936	20	30		CCEDRM
C=CCNC(=O)CNC(=O)c1cccc(F)c1[O-]	ZINC001446849157	930499681	/nfs/dbraw/zinc/49/96/81/930499681.db2.gz	NQXJNOREAAIUCW-UHFFFAOYSA-N	-1	0	252.245	0.563	20	30		CCEDRM
C[C@@H](C#N)C(=O)NC1(C)CCN(Cc2n[nH]c(=O)[n-]2)CC1	ZINC001375773527	930971989	/nfs/dbraw/zinc/97/19/89/930971989.db2.gz	LJXLYCDMORLBSU-VIFPVBQESA-N	-1	0	292.343	0.141	20	30		CCEDRM
CN(CCC(=O)[O-])C(=O)C(=O)NCC1CCC(C#N)CC1	ZINC001610920728	970791372	/nfs/dbraw/zinc/79/13/72/970791372.db2.gz	VTOIGPOTUUXFRA-UHFFFAOYSA-N	-1	0	295.339	0.366	20	30		CCEDRM
Cc1nsc(N2CCN([C@H](C)C(=O)[O-])CC2)c1C#N	ZINC001600819218	970870913	/nfs/dbraw/zinc/87/09/13/970870913.db2.gz	CBLXELKLIISESQ-SECBINFHSA-N	-1	0	280.353	0.918	20	30		CCEDRM
Cn1c(C#N)ccc1C(=O)N[C@H]1CC[C@@H](C(=O)[O-])C1	ZINC001600899052	970878687	/nfs/dbraw/zinc/87/86/87/970878687.db2.gz	FNLORBRZVZGKOS-BDAKNGLRSA-N	-1	0	261.281	0.880	20	30		CCEDRM
Cn1nccc1[C@H](NC(=O)c1ccc(C#N)o1)C(=O)[O-]	ZINC001601034235	970916119	/nfs/dbraw/zinc/91/61/19/970916119.db2.gz	NIZGLAJXZKJJCS-JTQLQIEISA-N	-1	0	274.236	0.440	20	30		CCEDRM
N#Cc1c(F)cccc1CN1CCO[C@@H](C(=O)[O-])C1	ZINC001601083062	970929228	/nfs/dbraw/zinc/92/92/28/970929228.db2.gz	YZUNLSSFVLETQU-GFCCVEGCSA-N	-1	0	264.256	0.983	20	30		CCEDRM
Cn1c(CC#N)nn(CN2CCC(C(=O)[O-])CC2)c1=S	ZINC001611272126	970966290	/nfs/dbraw/zinc/96/62/90/970966290.db2.gz	ZILPOCLZVPQRTL-UHFFFAOYSA-N	-1	0	295.368	0.771	20	30		CCEDRM
C#C[C@@H](NC(=O)NCCC(=O)[O-])C1CCOCC1	ZINC001602671267	971233330	/nfs/dbraw/zinc/23/33/30/971233330.db2.gz	AXQDHHBQQCLZPF-SNVBAGLBSA-N	-1	0	254.286	0.189	20	30		CCEDRM
C#CC1(O)CN(C(=O)Nc2ccccc2CC(=O)[O-])C1	ZINC001602673662	971241216	/nfs/dbraw/zinc/24/12/16/971241216.db2.gz	ZKVNMLDECLCXSF-UHFFFAOYSA-N	-1	0	274.276	0.526	20	30		CCEDRM
C#CCN(CC(=O)[O-])C(=O)C(C)(C)c1cccnc1	ZINC001602678592	971255672	/nfs/dbraw/zinc/25/56/72/971255672.db2.gz	CBJFWXBWSMWCJP-UHFFFAOYSA-N	-1	0	260.293	0.906	20	30		CCEDRM
C#CCN(CC(=O)[O-])C(=O)NCc1ocnc1C	ZINC001602686040	971285213	/nfs/dbraw/zinc/28/52/13/971285213.db2.gz	OTJATQIVVGAABB-UHFFFAOYSA-N	-1	0	251.242	0.212	20	30		CCEDRM
C#CCN(CC(=O)[O-])C(=O)c1ncc(C)cc1OC	ZINC001602692377	971301823	/nfs/dbraw/zinc/30/18/23/971301823.db2.gz	MRJMRMKGINRTGI-UHFFFAOYSA-N	-1	0	262.265	0.559	20	30		CCEDRM
C#CCN(CC(=O)[O-])Cc1cn(C)nc1C(F)F	ZINC001602699681	971318033	/nfs/dbraw/zinc/31/80/33/971318033.db2.gz	YRLRTCFGJWJSPW-UHFFFAOYSA-N	-1	0	257.240	0.878	20	30		CCEDRM
C#CCN1CCC[C@@H](NC(=O)C2(C(=O)[O-])CCC2)C1	ZINC001602700715	971320463	/nfs/dbraw/zinc/32/04/63/971320463.db2.gz	FVBJWSUVXBWLAZ-LLVKDONJSA-N	-1	0	264.325	0.455	20	30		CCEDRM
C#CCN(CC(=O)[O-])c1nnc([C@@H](O)CC)n1CC	ZINC001602700800	971321267	/nfs/dbraw/zinc/32/12/67/971321267.db2.gz	JTWKWCSUQBTYDY-VIFPVBQESA-N	-1	0	266.301	0.266	20	30		CCEDRM
C#CCN(CC(=O)[O-])c1nnnn1[C@@H]1CCS[C@H]1C	ZINC001602700910	971324151	/nfs/dbraw/zinc/32/41/51/971324151.db2.gz	NQBZGSGMDYQHKA-DTWKUNHWSA-N	-1	0	281.341	0.264	20	30		CCEDRM
C#CCN(CCOc1ccccc1[N+](=O)[O-])CC(=O)[O-]	ZINC001602701046	971325410	/nfs/dbraw/zinc/32/54/10/971325410.db2.gz	TWBZGRYPICLKTR-UHFFFAOYSA-N	-1	0	278.264	0.993	20	30		CCEDRM
C=C[C@H](C(=O)NC[C@@](C)(O)C(=O)[O-])c1ccccc1	ZINC001602713121	971360111	/nfs/dbraw/zinc/36/01/11/971360111.db2.gz	MDPMNQDPDZZTRG-SMDDNHRTSA-N	-1	0	263.293	0.908	20	30		CCEDRM
C=CC[C@H]1NC(=O)N(CCC(C)(C)C(=O)[O-])C1=O	ZINC001602718889	971378253	/nfs/dbraw/zinc/37/82/53/971378253.db2.gz	FFLYOAWRRGEAKU-MRVPVSSYSA-N	-1	0	254.286	0.984	20	30		CCEDRM
C=CCN1CC[C@@H](OC(=O)[C@]2(C(=O)[O-])CC2(C)C)C1=O	ZINC001602722950	971390929	/nfs/dbraw/zinc/39/09/29/971390929.db2.gz	CFKVVEPQZWJAPO-YMTOWFKASA-N	-1	0	281.308	0.817	20	30		CCEDRM
C=CCONC(=O)NC[C@@H]1CCC2(CC(C(=O)[O-])C2)O1	ZINC001602728865	971397353	/nfs/dbraw/zinc/39/73/53/971397353.db2.gz	LFJYALWITWNMGR-QUNCOHTASA-N	-1	0	284.312	0.816	20	30		CCEDRM
C[C@H](CC(=O)[O-])NC(=O)COc1ccccc1C#N	ZINC000036966868	948821904	/nfs/dbraw/zinc/82/19/04/948821904.db2.gz	UAELHJZAFPVYPC-SECBINFHSA-N	-1	0	262.265	0.916	20	30		CCEDRM
C[C@H](SCC(=O)N(CCC#N)CCC#N)C(=O)[O-]	ZINC000037405415	948828466	/nfs/dbraw/zinc/82/84/66/948828466.db2.gz	KFQCVVMKKMAUTK-VIFPVBQESA-N	-1	0	269.326	0.849	20	30		CCEDRM
C[C@@](C#N)(CC(=O)[O-])C(=O)N1CCC2(CC1)OCCCO2	ZINC001602778358	971511381	/nfs/dbraw/zinc/51/13/81/971511381.db2.gz	GGFBGWVLMRIYCP-ZDUSSCGKSA-N	-1	0	296.323	0.747	20	30		CCEDRM
C[C@@](C#N)(CC(=O)[O-])C(=O)NCCCOC[C@H]1CCOC1	ZINC001602780450	971518919	/nfs/dbraw/zinc/51/89/19/971518919.db2.gz	GNRFOAHQAFWQAK-RISCZKNCSA-N	-1	0	298.339	0.550	20	30		CCEDRM
C[C@@](C#N)(CC(=O)[O-])C(=O)NC[C@@H]1C=C[C@H]2C[C@@H]1CO2	ZINC001602781370	971523641	/nfs/dbraw/zinc/52/36/41/971523641.db2.gz	YJBYWYXBCFXKEB-MIJXAVMKSA-N	-1	0	278.308	0.698	20	30		CCEDRM
C[C@H](Oc1ccccc1C#N)C(=O)N1CC(C(=O)[O-])C1	ZINC000071173117	948991513	/nfs/dbraw/zinc/99/15/13/948991513.db2.gz	XPMFZYPUTFSXIX-VIFPVBQESA-N	-1	0	274.276	0.869	20	30		CCEDRM
C[C@](C#N)(CC(=O)[O-])C(=O)OC[C@@H]1C[C@H]2COC[C@H]2O1	ZINC001602782541	971529656	/nfs/dbraw/zinc/52/96/56/971529656.db2.gz	VXUDYJRDXIGKEP-QISWUMQESA-N	-1	0	283.280	0.338	20	30		CCEDRM
N#CCc1ccc(S(=O)(=O)NCCCC(=O)[O-])cc1	ZINC000092130609	949141215	/nfs/dbraw/zinc/14/12/15/949141215.db2.gz	BKAWSLVIFCLYGN-UHFFFAOYSA-N	-1	0	282.321	0.896	20	30		CCEDRM
CCC[C@H](O)CCNC(=O)[C@@](C)(C#N)CC(=O)[O-]	ZINC001589634308	949592393	/nfs/dbraw/zinc/59/23/93/949592393.db2.gz	OOIYKUXEOGUSDG-JOYOIKCWSA-N	-1	0	256.302	0.658	20	30		CCEDRM
C[C@H](C(=O)[O-])C(=O)OCCNc1ncccc1C#N	ZINC001602810400	971599903	/nfs/dbraw/zinc/59/99/03/971599903.db2.gz	OREKAMXHIZGSBF-MRVPVSSYSA-N	-1	0	263.253	0.629	20	30		CCEDRM
CCCCCCn1c(=O)c(C#N)cn(CC(=O)[O-])c1=O	ZINC001589645833	949733254	/nfs/dbraw/zinc/73/32/54/949733254.db2.gz	TUGDVIWFEXWKSN-UHFFFAOYSA-N	-1	0	279.296	0.547	20	30		CCEDRM
CCN1CCCN(C(=O)[C@](C)(C#N)CC(=O)[O-])CC1=O	ZINC001589744779	950669768	/nfs/dbraw/zinc/66/97/68/950669768.db2.gz	DYOBEUVXNFZRBE-ZDUSSCGKSA-N	-1	0	281.312	0.072	20	30		CCEDRM
C#C[C@](C)(CC)NS(=O)(=O)c1n[nH]cc1C(=O)[O-]	ZINC000384137692	971912391	/nfs/dbraw/zinc/91/23/91/971912391.db2.gz	CJIBDZLORSWUIE-SNVBAGLBSA-N	-1	0	271.298	0.188	20	30		CCEDRM
C[C@@H]1CCN(c2nnc([C@@H]3C[C@H]3C#N)n2C)C[C@@H]1C(=O)[O-]	ZINC001589360487	954151387	/nfs/dbraw/zinc/15/13/87/954151387.db2.gz	BHLNHVZNUKBIBA-YTWAJWBKSA-N	-1	0	289.339	0.989	20	30		CCEDRM
C[C@@H]1CN(C(=O)[C@]2(C(=O)[O-])CCCO2)C[C@H](C)N1CC#N	ZINC001589374129	954235070	/nfs/dbraw/zinc/23/50/70/954235070.db2.gz	JCNBCSBZRFMVQJ-WDMOLILDSA-N	-1	0	295.339	0.065	20	30		CCEDRM
COC(=O)[C@@H]1CCN(C(=O)[C@@](C)(C#N)CC(=O)[O-])C[C@@H]1C	ZINC001593861108	955545448	/nfs/dbraw/zinc/54/54/48/955545448.db2.gz	LAAQJIRPYXKULJ-IMSIIYSGSA-N	-1	0	296.323	0.649	20	30		CCEDRM
CO[C@@](C)(C(=O)[O-])C(=O)N1CCC2(CC1)CC(=O)C=CO2	ZINC001593922067	956089135	/nfs/dbraw/zinc/08/91/35/956089135.db2.gz	GJRAFOFLAFQXDO-CYBMUJFWSA-N	-1	0	297.307	0.340	20	30		CCEDRM
N#CC1(NC(=O)[C@@H]2CO[C@@H](CCC(=O)[O-])C2)CC1	ZINC001594602747	956151312	/nfs/dbraw/zinc/15/13/12/956151312.db2.gz	RBPAYKLARJPMON-IUCAKERBSA-N	-1	0	252.270	0.429	20	30		CCEDRM
N#C[C@]1(NC(=O)c2cnc(C(=O)[O-])cn2)CCSC1	ZINC001594603128	956153631	/nfs/dbraw/zinc/15/36/31/956153631.db2.gz	YEDDHQWFIALLNY-LLVKDONJSA-N	-1	0	278.293	0.304	20	30		CCEDRM
N#CC1(C(=O)Nc2cnn(CC(=O)[O-])c2)CCSCC1	ZINC001594603366	956155000	/nfs/dbraw/zinc/15/50/00/956155000.db2.gz	BHVSHQXHRLCPJE-UHFFFAOYSA-N	-1	0	294.336	0.943	20	30		CCEDRM
N#CC1(C(=O)Nc2cnn(CC(=O)[O-])c2)CCOCC1	ZINC001594603829	956157335	/nfs/dbraw/zinc/15/73/35/956157335.db2.gz	JLWJZETZHHWUNU-UHFFFAOYSA-N	-1	0	278.268	0.227	20	30		CCEDRM
N#CC[C@H]1CCCN(C(=O)C(=O)NCCCC(=O)[O-])C1	ZINC001594605654	956169380	/nfs/dbraw/zinc/16/93/80/956169380.db2.gz	GNTWDYROIRPFOV-SNVBAGLBSA-N	-1	0	281.312	0.120	20	30		CCEDRM
N#CCN(C(=O)c1cnc(C(=O)[O-])cn1)c1ccccn1	ZINC001594609962	956196557	/nfs/dbraw/zinc/19/65/57/956196557.db2.gz	MREHOYULYPVJBO-UHFFFAOYSA-N	-1	0	283.247	0.740	20	30		CCEDRM
N#Cc1ccc([C@H](O)C(=O)N2CC(C(=O)[O-])C2)cc1	ZINC001594617911	956256148	/nfs/dbraw/zinc/25/61/48/956256148.db2.gz	QYJMCCWETVNHOW-NSHDSACASA-N	-1	0	260.249	0.135	20	30		CCEDRM
N#Cc1ccc([C@H](O)C(=O)N[C@H]2CCC[C@H]2C(=O)[O-])cc1	ZINC001594617859	956256169	/nfs/dbraw/zinc/25/61/69/956256169.db2.gz	MZNFDEWXARVWRM-AGIUHOORSA-N	-1	0	288.303	0.961	20	30		CCEDRM
N#Cc1ccc(N2C[C@@H](C(=O)OCC(=O)[O-])CC2=O)cc1	ZINC001594621939	956288501	/nfs/dbraw/zinc/28/85/01/956288501.db2.gz	VFAQNVNSUATLDZ-JTQLQIEISA-N	-1	0	288.259	0.539	20	30		CCEDRM
N#Cc1ccc(N2C[C@H]3COC[C@@]3(C(=O)[O-])C2)nc1	ZINC001594621772	956288555	/nfs/dbraw/zinc/28/85/55/956288555.db2.gz	RGNRGSHQBSHKAL-GWCFXTLKSA-N	-1	0	259.265	0.491	20	30		CCEDRM
C[C@@](O)(CNc1snc(Cl)c1C#N)C(=O)[O-]	ZINC001589147599	956311184	/nfs/dbraw/zinc/31/11/84/956311184.db2.gz	ICRUAUCDZIWNKP-MRVPVSSYSA-N	-1	0	261.690	0.916	20	30		CCEDRM
N#Cc1ccnc(C(=O)N(CC(=O)[O-])CC2CC2)c1	ZINC001594631776	956345077	/nfs/dbraw/zinc/34/50/77/956345077.db2.gz	NJQDMFMLSVRTGZ-UHFFFAOYSA-N	-1	0	259.265	0.890	20	30		CCEDRM
N#Cc1cscc1C(=O)O[C@@H]1CCN(CC(=O)[O-])C1=O	ZINC001594634473	956362799	/nfs/dbraw/zinc/36/27/99/956362799.db2.gz	KWVSYFKRKVCEAE-SECBINFHSA-N	-1	0	294.288	0.462	20	30		CCEDRM
N#Cc1ncn(CC(=O)Nc2ccc(O)c(C(=O)[O-])c2)n1	ZINC001594635550	956369247	/nfs/dbraw/zinc/36/92/47/956369247.db2.gz	OWRNEIZJDHDSJI-UHFFFAOYSA-N	-1	0	287.235	0.192	20	30		CCEDRM
COC[C@]1(C(=O)[O-])CCN(C(=O)C2(C#N)CCOCC2)C1	ZINC001593960001	956477011	/nfs/dbraw/zinc/47/70/11/956477011.db2.gz	INWGGDAOVHDHQA-AWEZNQCLSA-N	-1	0	296.323	0.256	20	30		CCEDRM
C[C@]1(C#N)CN(C(=O)C2(C(=O)[O-])CCC2)CCO1	ZINC001589181336	956521777	/nfs/dbraw/zinc/52/17/77/956521777.db2.gz	FTAFDNRYIOLWGF-NSHDSACASA-N	-1	0	252.270	0.382	20	30		CCEDRM
COC[C@@]1(C(=O)[O-])CN(C(=O)NCC(C)(C)C#N)CCO1	ZINC001593970385	956605501	/nfs/dbraw/zinc/60/55/01/956605501.db2.gz	HYLJRQIUKWOCNC-CYBMUJFWSA-N	-1	0	299.327	0.048	20	30		CCEDRM
COCCN(CCC(=O)[O-])C(=O)c1cc(C#N)ccn1	ZINC001594007080	956981817	/nfs/dbraw/zinc/98/18/17/956981817.db2.gz	WITAGCLXEUGTMM-UHFFFAOYSA-N	-1	0	277.280	0.517	20	30		CCEDRM
COCC[C@@H](NC(=O)C#Cc1ccccc1)C(=O)[O-]	ZINC000052783982	957510694	/nfs/dbraw/zinc/51/06/94/957510694.db2.gz	XDNXVCIHXVZXCT-GFCCVEGCSA-N	-1	0	261.277	0.644	20	30		CCEDRM
C#C[C@@H](NC(=O)Nc1ccn(CC(=O)[O-])n1)[C@@H]1CCCO1	ZINC001588385322	957969537	/nfs/dbraw/zinc/96/95/37/957969537.db2.gz	DSXUZUORKVTOBA-ZJUUUORDSA-N	-1	0	292.295	0.270	20	30		CCEDRM
C#C[C@H](NC(=O)NC[C@H](C)C(=O)[O-])C1CCOCC1	ZINC001588385725	957973938	/nfs/dbraw/zinc/97/39/38/957973938.db2.gz	HBUNSVHATNIQBS-ONGXEEELSA-N	-1	0	268.313	0.435	20	30		CCEDRM
C#C[C@H](NC(=O)NC[C@H](CC)C(=O)[O-])C1CCOCC1	ZINC001588386358	957976026	/nfs/dbraw/zinc/97/60/26/957976026.db2.gz	PLEZQOARYABEQG-JQWIXIFHSA-N	-1	0	282.340	0.825	20	30		CCEDRM
C#C[C@@H](NC(=O)[C@@H]1CC(C(=O)[O-])=NO1)c1ccc(F)cc1	ZINC001588387898	957990622	/nfs/dbraw/zinc/99/06/22/957990622.db2.gz	MVRDFQKOHGPQDV-PWSUYJOCSA-N	-1	0	290.250	0.846	20	30		CCEDRM
C#CC[C@@H](NC(=O)[C@H](C(=O)[O-])C(C)C)C(=O)OC	ZINC001588389512	958009261	/nfs/dbraw/zinc/00/92/61/958009261.db2.gz	VWOJRBJCPZSKAW-RKDXNWHRSA-N	-1	0	255.270	0.024	20	30		CCEDRM
C#CCCCc1nnc(N2CC[C@H](C(=O)[O-])C2)n1C	ZINC001588390799	958016139	/nfs/dbraw/zinc/01/61/39/958016139.db2.gz	JLDMYVUBGREQIH-JTQLQIEISA-N	-1	0	262.313	0.682	20	30		CCEDRM
C#CCCN(CC(F)(F)F)C(=O)COCC(=O)[O-]	ZINC001588390891	958016798	/nfs/dbraw/zinc/01/67/98/958016798.db2.gz	QQMJIBYGIBCHKO-UHFFFAOYSA-N	-1	0	267.203	0.502	20	30		CCEDRM
C#CC[C@H]1CCCN(C(=O)C(=O)N[C@H]2C[C@@H](C(=O)[O-])C2)C1	ZINC001588391269	958022741	/nfs/dbraw/zinc/02/27/41/958022741.db2.gz	DRRFDAIODMGLPD-SDDRHHMPSA-N	-1	0	292.335	0.228	20	30		CCEDRM
C#CCC[C@H](O)CNC(=O)NCC1(C(=O)[O-])CCC1	ZINC001588391543	958024536	/nfs/dbraw/zinc/02/45/36/958024536.db2.gz	JEVAPRWUOILHFK-JTQLQIEISA-N	-1	0	268.313	0.315	20	30		CCEDRM
C#CCCC[C@@H](C)OC(=O)c1cn(CC(=O)[O-])nn1	ZINC001588391620	958024944	/nfs/dbraw/zinc/02/49/44/958024944.db2.gz	KHGGDEGJHKDOIX-SECBINFHSA-N	-1	0	265.269	0.712	20	30		CCEDRM
C#CCC1(NC(=O)c2cnc(C(=O)[O-])cn2)CCC1	ZINC001588391831	958026618	/nfs/dbraw/zinc/02/66/18/958026618.db2.gz	OJCHIUPQRSHBGM-UHFFFAOYSA-N	-1	0	259.265	0.851	20	30		CCEDRM
C#CCCCC(=O)N1CCO[C@@](COC)(C(=O)[O-])C1	ZINC001588391754	958027586	/nfs/dbraw/zinc/02/75/86/958027586.db2.gz	NQJBKZPEWUREOM-ZDUSSCGKSA-N	-1	0	269.297	0.119	20	30		CCEDRM
C#CCN(C(=O)[C@@H]1CO[C@H](CCC(=O)[O-])C1)C1CSC1	ZINC001588395649	958042758	/nfs/dbraw/zinc/04/27/58/958042758.db2.gz	KBMQFMAIRRFKBS-CMPLNLGQSA-N	-1	0	297.376	0.834	20	30		CCEDRM
C#CCN(CC(=O)[O-])C(=O)C1(CF)CCOCC1	ZINC001588397572	958059023	/nfs/dbraw/zinc/05/90/23/958059023.db2.gz	MHKOPNBDMSHCGZ-UHFFFAOYSA-N	-1	0	257.261	0.299	20	30		CCEDRM
C#CCN(CC(=O)[O-])C(=O)C(C)(C)COCC(F)F	ZINC001588397629	958060312	/nfs/dbraw/zinc/06/03/12/958060312.db2.gz	OMYCYVIHWCAJLV-UHFFFAOYSA-N	-1	0	277.267	0.841	20	30		CCEDRM
C#CCN(CC(=O)[O-])C(=O)[C@H]1CCCN1C(=O)CCC	ZINC001588398822	958069181	/nfs/dbraw/zinc/06/91/81/958069181.db2.gz	CSGYZLGEZCBLBW-LLVKDONJSA-N	-1	0	280.324	0.324	20	30		CCEDRM
C#CCN(CC(=O)[O-])C(=O)CC(C)(C)C(=O)OCC	ZINC001588399277	958071132	/nfs/dbraw/zinc/07/11/32/958071132.db2.gz	IJWKMSNMPABNGY-UHFFFAOYSA-N	-1	0	269.297	0.512	20	30		CCEDRM
C=C(C)CN(CC)C(=O)NCCn1cc(C(=O)[O-])nn1	ZINC000089697147	958080804	/nfs/dbraw/zinc/08/08/04/958080804.db2.gz	UZCDBMXGOJGUIA-UHFFFAOYSA-N	-1	0	281.316	0.584	20	30		CCEDRM
C#CCN(CC(=O)[O-])C(=O)N[C@@H](C)CC(C)(C)OC	ZINC001588406559	958094263	/nfs/dbraw/zinc/09/42/63/958094263.db2.gz	ACRSAIJAXMURMV-JTQLQIEISA-N	-1	0	270.329	0.919	20	30		CCEDRM
C#CCN(CC(=O)[O-])C(=O)NCCc1cnc(C)cn1	ZINC001588408741	958116030	/nfs/dbraw/zinc/11/60/30/958116030.db2.gz	BIDSJQIUQTVIFE-UHFFFAOYSA-N	-1	0	276.296	0.057	20	30		CCEDRM
C#CCN(CC(=O)[O-])C(=O)N[C@@H]1[C@@H]2CCO[C@H]2C1(C)C	ZINC001588410486	958139398	/nfs/dbraw/zinc/13/93/98/958139398.db2.gz	VVPHZMOSZZYZRI-MVWJERBFSA-N	-1	0	280.324	0.529	20	30		CCEDRM
C#CCN(CC(=O)[O-])C(=O)Nc1ccc(C(N)=O)c(C)c1	ZINC001588411295	958148657	/nfs/dbraw/zinc/14/86/57/958148657.db2.gz	VJAULZWYBKAJMT-UHFFFAOYSA-N	-1	0	289.291	0.646	20	30		CCEDRM
C#CCN(CC(=O)[O-])C(=O)c1cc(C(=O)OC)co1	ZINC001588417571	958176355	/nfs/dbraw/zinc/17/63/55/958176355.db2.gz	WTGNBSHDOQXYRC-UHFFFAOYSA-N	-1	0	265.221	0.226	20	30		CCEDRM
C#CCN(CC(=O)[O-])C(=O)c1[nH]nc(C(C)C)c1[N+](=O)[O-]	ZINC001588418403	958179049	/nfs/dbraw/zinc/17/90/49/958179049.db2.gz	DULBRTOVQXAKOK-UHFFFAOYSA-N	-1	0	294.267	0.601	20	30		CCEDRM
C#CCN(CC(=O)[O-])C(=O)c1ccoc1CC(=O)OC	ZINC001588418803	958186425	/nfs/dbraw/zinc/18/64/25/958186425.db2.gz	GCDGYCAGALNYED-UHFFFAOYSA-N	-1	0	279.248	0.155	20	30		CCEDRM
C#CCN(CC(=O)[O-])C(=O)c1cccc(O)c1F	ZINC001588419151	958192990	/nfs/dbraw/zinc/19/29/90/958192990.db2.gz	UFWQJKIKPLKGDH-UHFFFAOYSA-N	-1	0	251.213	0.691	20	30		CCEDRM
C#CCN(CC(=O)[O-])Cc1cnc(CCOC)s1	ZINC001588425372	958224511	/nfs/dbraw/zinc/22/45/11/958224511.db2.gz	PNCKQJMRXSQLST-UHFFFAOYSA-N	-1	0	268.338	0.852	20	30		CCEDRM
C#CCN(CC(=O)[O-])c1nnc(-c2cccc(C#N)c2)n1C	ZINC001588426160	958228175	/nfs/dbraw/zinc/22/81/75/958228175.db2.gz	ASCRPAVELBYTEL-UHFFFAOYSA-N	-1	0	295.302	0.878	20	30		CCEDRM
C#CCN(CC(=O)[O-])c1nnc([C@@H](O)CC)n1CC(=C)C	ZINC001588426731	958232387	/nfs/dbraw/zinc/23/23/87/958232387.db2.gz	AHGPOPALXVAQAG-NSHDSACASA-N	-1	0	292.339	0.822	20	30		CCEDRM
N#Cc1cc(NC(=O)NCCOCC(=O)[O-])ccc1F	ZINC000093230027	958240506	/nfs/dbraw/zinc/24/05/06/958240506.db2.gz	PQEXLQGYGVNGLS-UHFFFAOYSA-N	-1	0	281.243	0.920	20	30		CCEDRM
C#CCN1CCC[C@@H](NC(=O)N[C@H]2C[C@H](C(=O)[O-])C2)C1	ZINC001588430440	958255511	/nfs/dbraw/zinc/25/55/11/958255511.db2.gz	LVIAKAPFMVBCSN-IJLUTSLNSA-N	-1	0	279.340	0.246	20	30		CCEDRM
C#CCn1cc(CNC(=O)[C@H](C(=O)[O-])C(C)(C)C)cn1	ZINC001588433315	958294935	/nfs/dbraw/zinc/29/49/35/958294935.db2.gz	OYJNALKWZSOXEC-LLVKDONJSA-N	-1	0	277.324	0.879	20	30		CCEDRM
C=C(C)CN(C)C(=O)C(=O)N1CC[C@H](C)[C@H](C(=O)[O-])C1	ZINC001588442708	958348264	/nfs/dbraw/zinc/34/82/64/958348264.db2.gz	VJOHDLYUUJVSBG-WDEREUQCSA-N	-1	0	282.340	0.590	20	30		CCEDRM
C=C(Cl)Cn1nnnc1N1CCC[C@@H](C(=O)[O-])C1	ZINC001588445338	958372585	/nfs/dbraw/zinc/37/25/85/958372585.db2.gz	FPTDRIQSOBMMKK-MRVPVSSYSA-N	-1	0	271.708	0.727	20	30		CCEDRM
C=C[C@@](C)(CCOC)C(=O)N1C[C@@H]2COC[C@]2(C(=O)[O-])C1	ZINC001588450947	958401671	/nfs/dbraw/zinc/40/16/71/958401671.db2.gz	IKJGGGFXQGRJBS-BYCMXARLSA-N	-1	0	297.351	0.775	20	30		CCEDRM
C=CC[C@H](CC)NC(=O)[C@H]1CCCN(CC(=O)[O-])C1=O	ZINC001588453476	958440147	/nfs/dbraw/zinc/44/01/47/958440147.db2.gz	XZOHHOXKHRBCCC-WDEREUQCSA-N	-1	0	282.340	0.781	20	30		CCEDRM
C=CCCCC(=O)N1CCO[C@](COC)(C(=O)[O-])C1	ZINC001588457831	958455499	/nfs/dbraw/zinc/45/54/99/958455499.db2.gz	GAVWOVNGYOXLIO-CYBMUJFWSA-N	-1	0	271.313	0.671	20	30		CCEDRM
C=CCC1(O)CN(C(=O)[C@@]2(C(=O)[O-])CC=CCC2)C1	ZINC001588457961	958457289	/nfs/dbraw/zinc/45/72/89/958457289.db2.gz	NKSHTEAIUVASTD-CQSZACIVSA-N	-1	0	265.309	0.947	20	30		CCEDRM
C#CCN(CC(=O)[O-])C(=O)[C@H]1CC(=O)N(C(CC)CC)C1	ZINC001573318305	958462718	/nfs/dbraw/zinc/46/27/18/958462718.db2.gz	NIIDTQCIYOQSRQ-NSHDSACASA-N	-1	0	294.351	0.570	20	30		CCEDRM
C#C[C@H](NC(=O)[C@@H]1CCCN(CC(=O)[O-])C1=O)C(C)(C)C	ZINC001573318774	958468535	/nfs/dbraw/zinc/46/85/35/958468535.db2.gz	RQJSCPRVDBJVLD-QWRGUYRKSA-N	-1	0	294.351	0.474	20	30		CCEDRM
C=CCCCN(C)C(=O)C(=O)Nc1ccn(CC(=O)[O-])n1	ZINC001588459038	958469106	/nfs/dbraw/zinc/46/91/06/958469106.db2.gz	ZUULVUYOODLIRD-UHFFFAOYSA-N	-1	0	294.311	0.331	20	30		CCEDRM
C=CCN(C(=O)C(=O)N(C)C[C@H](C)C(=O)[O-])C1CC1	ZINC001588460472	958476477	/nfs/dbraw/zinc/47/64/77/958476477.db2.gz	JOAYHIIZTRHTEJ-VIFPVBQESA-N	-1	0	268.313	0.343	20	30		CCEDRM
C=CCNC(=O)[C@H](C#N)C(=O)Cc1ccccc1C(=O)[O-]	ZINC001588465351	958500975	/nfs/dbraw/zinc/50/09/75/958500975.db2.gz	DOJHWUJIWXFRSJ-GFCCVEGCSA-N	-1	0	286.287	0.938	20	30		CCEDRM
C[C@H]1CCN(C(=O)CSCC#N)[C@H](C(=O)[O-])C1	ZINC000125438296	958564611	/nfs/dbraw/zinc/56/46/11/958564611.db2.gz	IEOHOAOWHUPRIH-IUCAKERBSA-N	-1	0	256.327	0.955	20	30		CCEDRM
C=C[C@@H]1OCC[C@H]1C(=O)N(CCNC(C)=O)[C@H](C)C(=O)[O-]	ZINC001588478367	958565122	/nfs/dbraw/zinc/56/51/22/958565122.db2.gz	JCIDFYNUXIWJCY-JLLWLGSASA-N	-1	0	298.339	0.015	20	30		CCEDRM
CC#CC[C@@H](CO)NC(=O)c1coc(/C=C/C(=O)[O-])c1	ZINC001588479030	958577146	/nfs/dbraw/zinc/57/71/46/958577146.db2.gz	UKFZVQQCVUQPHN-QRGHLMKCSA-N	-1	0	277.276	0.882	20	30		CCEDRM
CC(=NN[C@@H]1CCOC(C)(C)C1)c1cn(CC(=O)[O-])nn1	ZINC001588486063	958608755	/nfs/dbraw/zinc/60/87/55/958608755.db2.gz	PNIJSJGJYMUORN-SNVBAGLBSA-N	-1	0	295.343	0.634	20	30		CCEDRM
C[C@](C#N)(CC(=O)[O-])C(=O)NCCC[C@H]1CCOC1=O	ZINC001573364730	958617844	/nfs/dbraw/zinc/61/78/44/958617844.db2.gz	QNJJVXFBHSTDQS-TVQRCGJNSA-N	-1	0	282.296	0.450	20	30		CCEDRM
N#Cc1ccc(F)cc1CN1C[C@@H](O)C[C@@H]1C(=O)[O-]	ZINC000132223764	958778601	/nfs/dbraw/zinc/77/86/01/958778601.db2.gz	AVRLQTRGQLDKLF-NWDGAFQWSA-N	-1	0	264.256	0.717	20	30		CCEDRM
CC(=O)NCCN(Cc1ccncc1C#N)[C@H](C)C(=O)[O-]	ZINC001588514972	958790610	/nfs/dbraw/zinc/79/06/10/958790610.db2.gz	QGMYJJMORGQNRC-SNVBAGLBSA-N	-1	0	290.323	0.364	20	30		CCEDRM
CC(C)(O)[C@@H]1CCN(C(=O)[C@@](C)(C#N)CC(=O)[O-])C1	ZINC001588534013	958914126	/nfs/dbraw/zinc/91/41/26/958914126.db2.gz	CZSFESAIQXEKMI-NOZJJQNGSA-N	-1	0	268.313	0.610	20	30		CCEDRM
CC(C)(O)[C@@H]1CCN(C(=O)[C@](C)(C#N)CC(=O)[O-])C1	ZINC001588534015	958914816	/nfs/dbraw/zinc/91/48/16/958914816.db2.gz	CZSFESAIQXEKMI-RNCFNFMXSA-N	-1	0	268.313	0.610	20	30		CCEDRM
C[C@@H](C#N)CN(C)C(=O)c1cc(C(=O)[O-])nn1C	ZINC001588542831	958974090	/nfs/dbraw/zinc/97/40/90/958974090.db2.gz	DMHISWVNWPYSGD-ZETCQYMHSA-N	-1	0	250.258	0.350	20	30		CCEDRM
CC#CCCNC(=O)N1CCO[C@@H](CC(=O)[O-])C1	ZINC000158561247	959096960	/nfs/dbraw/zinc/09/69/60/959096960.db2.gz	LCIAPZLFCXELGC-JTQLQIEISA-N	-1	0	254.286	0.285	20	30		CCEDRM
CC(C)COC[C@@H](O)CNC(=O)[C@@](C)(C#N)CC(=O)[O-]	ZINC001573522809	959131023	/nfs/dbraw/zinc/13/10/23/959131023.db2.gz	PVCSCWUYWMKGHW-GXFFZTMASA-N	-1	0	286.328	0.141	20	30		CCEDRM
C[C@H](C(=O)[O-])N(C(=O)[C@H](C)n1cnc(C#N)n1)C1CC1	ZINC001588582503	959270709	/nfs/dbraw/zinc/27/07/09/959270709.db2.gz	KYBDIBVYLWUSPZ-JGVFFNPUSA-N	-1	0	277.284	0.175	20	30		CCEDRM
C#C[C@H](C)NS(=O)(=O)c1csc(C(=O)[O-])c1	ZINC000166341500	959305483	/nfs/dbraw/zinc/30/54/83/959305483.db2.gz	LVUXPGCJHOPXOU-LURJTMIESA-N	-1	0	259.308	0.746	20	30		CCEDRM
C[C@H](CC#N)C(=O)Nc1nc2n(c1C(=O)[O-])CCOC2	ZINC001573577687	959338061	/nfs/dbraw/zinc/33/80/61/959338061.db2.gz	YOFAEQHBOGNBBC-SSDOTTSWSA-N	-1	0	278.268	0.600	20	30		CCEDRM
C[C@@H]1CC[C@H](C(=O)[O-])N1CC(=O)NC1(C#N)CCC1	ZINC001594219456	959357587	/nfs/dbraw/zinc/35/75/87/959357587.db2.gz	WNLHOTPTBORYCY-NXEZZACHSA-N	-1	0	265.313	0.486	20	30		CCEDRM
C[C@](O)(CNC(=O)[C@@H](C#N)CCc1ccccc1)C(=O)[O-]	ZINC001573583055	959362030	/nfs/dbraw/zinc/36/20/30/959362030.db2.gz	RPHKDZGQJYOXCG-DOMZBBRYSA-N	-1	0	290.319	0.711	20	30		CCEDRM
C[C@@](O)(CNC(=O)Nc1cc(C#N)ccc1F)C(=O)[O-]	ZINC001573633015	959568008	/nfs/dbraw/zinc/56/80/08/959568008.db2.gz	IOLKGIAQXHCNBJ-GFCCVEGCSA-N	-1	0	281.243	0.654	20	30		CCEDRM
Cc1[nH]c(C#N)cc1C(=O)NC1(C(=O)[O-])CCOCC1	ZINC001594248030	959598792	/nfs/dbraw/zinc/59/87/92/959598792.db2.gz	VAGJKZNOADGWTJ-UHFFFAOYSA-N	-1	0	277.280	0.558	20	30		CCEDRM
CC(C)(C)[C@@H](C#N)NC(=O)c1cn(CC(=O)[O-])nn1	ZINC001588630768	959603837	/nfs/dbraw/zinc/60/38/37/959603837.db2.gz	CHLKOVKIDKSLCT-MRVPVSSYSA-N	-1	0	265.273	0.031	20	30		CCEDRM
C[C@@]1(C#N)CN(C(=O)Nc2cc(C(=O)[O-])ccn2)CCO1	ZINC001573643389	959627373	/nfs/dbraw/zinc/62/73/73/959627373.db2.gz	OTAKFQRTZGKJBL-CYBMUJFWSA-N	-1	0	290.279	0.926	20	30		CCEDRM
C[C@]1(C#N)CN(C(=O)[C@H]2CC[C@H]2C(=O)[O-])CCO1	ZINC001573645682	959639885	/nfs/dbraw/zinc/63/98/85/959639885.db2.gz	JPGCMBLEGLAJIV-SBMIAAHKSA-N	-1	0	252.270	0.238	20	30		CCEDRM
Cc1c(C(=O)NCCC(=O)[O-])cnn1CCC#N	ZINC001594256882	959658401	/nfs/dbraw/zinc/65/84/01/959658401.db2.gz	UWTULNYOQWZRDR-UHFFFAOYSA-N	-1	0	250.258	0.310	20	30		CCEDRM
C#CC[C@@H](NS(=O)(=O)N1CCCC[C@@H]1C)C(=O)[O-]	ZINC000227519829	959951444	/nfs/dbraw/zinc/95/14/44/959951444.db2.gz	CIOYUQUSMBXNKJ-VHSXEESVSA-N	-1	0	274.342	0.172	20	30		CCEDRM
C#CCSCCNC(=O)N1CC[C@H](C(=O)[O-])[C@@H]1C	ZINC000231958696	960236687	/nfs/dbraw/zinc/23/66/87/960236687.db2.gz	JQGUFVCHQCUZAC-UWVGGRQHSA-N	-1	0	270.354	0.857	20	30		CCEDRM
COc1ncc(NC(=O)[C@@H]2CC(C(=O)[O-])=NO2)cc1C#N	ZINC001574244561	960483878	/nfs/dbraw/zinc/48/38/78/960483878.db2.gz	NPLJRLQBHXCREU-VIFPVBQESA-N	-1	0	290.235	0.130	20	30		CCEDRM
Cc1cc(C(=O)N2CCOC[C@H]2CC(=O)[O-])ncc1C#N	ZINC001571035368	960524338	/nfs/dbraw/zinc/52/43/38/960524338.db2.gz	NXHSSOFMPMPQOP-LLVKDONJSA-N	-1	0	289.291	0.577	20	30		CCEDRM
C[C@@H]1CN(C(=O)Nc2nn(C)cc2C#N)CC[C@@H]1C(=O)[O-]	ZINC001573750040	960548527	/nfs/dbraw/zinc/54/85/27/960548527.db2.gz	UQRNJRWMLRPMHA-SCZZXKLOSA-N	-1	0	291.311	0.866	20	30		CCEDRM
CN(CC(=O)[O-])Cc1cn(-c2cccc(C#N)c2)nn1	ZINC001604113809	972514353	/nfs/dbraw/zinc/51/43/53/972514353.db2.gz	FEYVZFNOZCYWQQ-UHFFFAOYSA-N	-1	0	271.280	0.655	20	30		CCEDRM
Cc1ocnc1CNC(=O)N1CCC(C#N)(C(=O)[O-])CC1	ZINC001571042331	960596161	/nfs/dbraw/zinc/59/61/61/960596161.db2.gz	GTBWIEXGSWFDAF-UHFFFAOYSA-N	-1	0	292.295	0.883	20	30		CCEDRM
CC[C@@H](C(=O)[O-])N(C)S(=O)(=O)c1ccc(C#N)cn1	ZINC001573767787	960631190	/nfs/dbraw/zinc/63/11/90/960631190.db2.gz	FKDPMTUCAFNXKP-VIFPVBQESA-N	-1	0	283.309	0.437	20	30		CCEDRM
Cc1cc(C#N)cc(NC(=O)c2cn(CC(=O)[O-])nn2)n1	ZINC001574307592	960749262	/nfs/dbraw/zinc/74/92/62/960749262.db2.gz	CPYHNERHZMMIAF-UHFFFAOYSA-N	-1	0	286.251	0.190	20	30		CCEDRM
Cc1cc(C#N)cc(NC(=O)c2cc(C(=O)[O-])nn2C)n1	ZINC001574308044	960756448	/nfs/dbraw/zinc/75/64/48/960756448.db2.gz	UIVXOMKPSOPCQI-UHFFFAOYSA-N	-1	0	285.263	0.946	20	30		CCEDRM
Cc1cc(NC(=O)c2cc(C(=O)[O-])n[nH]2)nn1CCC#N	ZINC001574341421	960940032	/nfs/dbraw/zinc/94/00/32/960940032.db2.gz	RDQWZRYPRBEWQP-UHFFFAOYSA-N	-1	0	288.267	0.779	20	30		CCEDRM
CC[C@@]1(C(=O)[O-])CCCN(C(=O)Cn2cnc(C#N)n2)C1	ZINC001573821548	960959665	/nfs/dbraw/zinc/95/96/65/960959665.db2.gz	XWAXQWOQIKOKQY-CYBMUJFWSA-N	-1	0	291.311	0.253	20	30		CCEDRM
C#CC[C@@H](NS(=O)(=O)N1CCC[C@H](C)C1)C(=O)[O-]	ZINC000252110546	961263339	/nfs/dbraw/zinc/26/33/39/961263339.db2.gz	HSDJEHWDPILUKZ-VHSXEESVSA-N	-1	0	274.342	0.029	20	30		CCEDRM
CC(C)[C@H](C(=O)[O-])C(=O)NCc1ccc(C#N)cn1	ZINC001588808434	961501375	/nfs/dbraw/zinc/50/13/75/961501375.db2.gz	ZPSUOZOJTPPJAV-NSHDSACASA-N	-1	0	261.281	0.926	20	30		CCEDRM
CC(C)[C@H](C(=O)[O-])C(=O)OCC(=O)N[C@@](C)(C#N)C(C)C	ZINC001588813864	961542580	/nfs/dbraw/zinc/54/25/80/961542580.db2.gz	MFJNXYILSWTGSP-RISCZKNCSA-N	-1	0	298.339	0.941	20	30		CCEDRM
N#CCc1ccnc(NC(=O)[C@@H]2CC(C(=O)[O-])=NO2)c1	ZINC001574480054	961656484	/nfs/dbraw/zinc/65/64/84/961656484.db2.gz	VCXMUZITCLWOSN-VIFPVBQESA-N	-1	0	274.236	0.316	20	30		CCEDRM
N#CCc1ccnc(NC(=O)[C@H]2CC(C(=O)[O-])=NO2)c1	ZINC001574480052	961656559	/nfs/dbraw/zinc/65/65/59/961656559.db2.gz	VCXMUZITCLWOSN-SECBINFHSA-N	-1	0	274.236	0.316	20	30		CCEDRM
N#CC1(CC(=O)Nc2nc3n(c2C(=O)[O-])CCOC3)CC1	ZINC001574480532	961663469	/nfs/dbraw/zinc/66/34/69/961663469.db2.gz	LEGLCSPUSXJNEN-UHFFFAOYSA-N	-1	0	290.279	0.744	20	30		CCEDRM
N#CC[C@@]1(O)CCN(C(=O)Nc2ccnc(C(=O)[O-])c2)C1	ZINC001574481349	961673441	/nfs/dbraw/zinc/67/34/41/961673441.db2.gz	ZWBHDQPGYRARNI-CYBMUJFWSA-N	-1	0	290.279	0.662	20	30		CCEDRM
N#Cc1ccc(S(=O)(=O)N2CCC[C@H]2C(=O)[O-])nc1	ZINC001574490109	961711379	/nfs/dbraw/zinc/71/13/79/961711379.db2.gz	WIVHAKBCZFNUGR-VIFPVBQESA-N	-1	0	281.293	0.191	20	30		CCEDRM
N#Cc1ccnc(C(=O)Nc2cc(C(=O)[O-])n[nH]2)c1	ZINC001574492776	961713686	/nfs/dbraw/zinc/71/36/86/961713686.db2.gz	AFFVONUIJSZKDV-UHFFFAOYSA-N	-1	0	257.209	0.627	20	30		CCEDRM
CC(C)[C@@H](CNS(=O)(=O)c1ccc(C#N)cn1)C(=O)[O-]	ZINC001588831053	961720725	/nfs/dbraw/zinc/72/07/25/961720725.db2.gz	CAEHMMABABNIQA-SNVBAGLBSA-N	-1	0	297.336	0.588	20	30		CCEDRM
CC(C)NC(=O)OC1CN(C(=O)[C@@](C)(C#N)CC(=O)[O-])C1	ZINC001588928123	962444749	/nfs/dbraw/zinc/44/47/49/962444749.db2.gz	SKKKXSPCVZRMJB-CYBMUJFWSA-N	-1	0	297.311	0.336	20	30		CCEDRM
C#C[C@@H](CO)NS(=O)(=O)c1ccc(NC(=O)[O-])c(C)c1	ZINC001573301642	962632045	/nfs/dbraw/zinc/63/20/45/962632045.db2.gz	BUJHJCIJOFZQMJ-VIFPVBQESA-N	-1	0	298.320	0.357	20	30		CCEDRM
C#CC[C@@H](NC(=O)c1ccnc2c1ncn2C)C(=O)[O-]	ZINC001573302534	962654836	/nfs/dbraw/zinc/65/48/36/962654836.db2.gz	CHQNKNJVDYPMFF-SECBINFHSA-N	-1	0	272.264	0.175	20	30		CCEDRM
C#CC[C@H](NC(=O)c1ccc2n[nH]c(=S)n2c1)C(=O)[O-]	ZINC001573302651	962659661	/nfs/dbraw/zinc/65/96/61/962659661.db2.gz	DDEHSZXRMDWJCF-QMMMGPOBSA-N	-1	0	290.304	0.224	20	30		CCEDRM
C#C[C@H](NC(=O)C(=C)CCC(=O)[O-])[C@@H]1CCCO1	ZINC001573302860	962664427	/nfs/dbraw/zinc/66/44/27/962664427.db2.gz	RHEQPKXHKCATKU-QWRGUYRKSA-N	-1	0	251.282	0.704	20	30		CCEDRM
C#Cc1ccc(C(=O)NC[C@@]2(C(=O)[O-])CCOC2)nc1	ZINC001573311468	962702774	/nfs/dbraw/zinc/70/27/74/962702774.db2.gz	AFQJMUFFGIQQQE-AWEZNQCLSA-N	-1	0	274.276	0.284	20	30		CCEDRM
C=C(C)C[C@H](NC(=O)COCc1nc(CC)no1)C(=O)[O-]	ZINC001573322074	962766260	/nfs/dbraw/zinc/76/62/60/962766260.db2.gz	UYEHZSZMOZHDGQ-VIFPVBQESA-N	-1	0	297.311	0.684	20	30		CCEDRM
C[C@H](CC#N)NC(=O)[C@@H]1CO[C@H](CCC(=O)[O-])C1	ZINC001588988126	962775514	/nfs/dbraw/zinc/77/55/14/962775514.db2.gz	UFYJVSRSTNWTJJ-KXUCPTDWSA-N	-1	0	254.286	0.675	20	30		CCEDRM
C[C@@H](CC#N)N(C)C(=O)Nc1ccn(CC(=O)[O-])n1	ZINC001588988169	962775666	/nfs/dbraw/zinc/77/56/66/962775666.db2.gz	VETVRQILKJQFRB-QMMMGPOBSA-N	-1	0	265.273	0.734	20	30		CCEDRM
C=C(C)C[C@@H](NC(C)=O)C(=O)N1C[C@@H](C)O[C@H](C(=O)[O-])C1	ZINC001573324020	962780255	/nfs/dbraw/zinc/78/02/55/962780255.db2.gz	MBMDIACYXLYMMM-JLLWLGSASA-N	-1	0	298.339	0.158	20	30		CCEDRM
C=C(C)C[C@@H](NC(=O)c1cn[nH]c(=O)c1)C(=O)[O-]	ZINC001573324839	962790905	/nfs/dbraw/zinc/79/09/05/962790905.db2.gz	ZSWYXFPGTYQKNA-MRVPVSSYSA-N	-1	0	251.242	0.331	20	30		CCEDRM
C=C(CCC(=O)[O-])C(=O)N[C@H](C)[C@H](O)C(F)(F)F	ZINC001573332723	962841260	/nfs/dbraw/zinc/84/12/60/962841260.db2.gz	QVXPXQISMYEUEX-SVRRBLITSA-N	-1	0	269.219	0.835	20	30		CCEDRM
C=C(CCC(=O)[O-])C(=O)N1CCC(S(C)(=O)=O)CC1	ZINC001573333006	962847700	/nfs/dbraw/zinc/84/77/00/962847700.db2.gz	VKEKTAIYUYISEA-UHFFFAOYSA-N	-1	0	289.353	0.443	20	30		CCEDRM
C[C@H](CC(=O)[O-])NC(=O)N1CCC2(CC1)CC(=O)C=CO2	ZINC001588997076	962855596	/nfs/dbraw/zinc/85/55/96/962855596.db2.gz	UJEWFNDSSWXFBL-SNVBAGLBSA-N	-1	0	296.323	0.897	20	30		CCEDRM
C=C(CCC(=O)[O-])C(=O)NCc1cnn(CC)n1	ZINC001573336341	962858825	/nfs/dbraw/zinc/85/88/25/962858825.db2.gz	BGUVUWZRTRXURA-UHFFFAOYSA-N	-1	0	252.274	0.335	20	30		CCEDRM
C=C(CCC(=O)OC)C(=O)N(C)[C@H](COCC)C(=O)[O-]	ZINC001573338432	962873547	/nfs/dbraw/zinc/87/35/47/962873547.db2.gz	ASSXRSWPACXSRY-SNVBAGLBSA-N	-1	0	287.312	0.444	20	30		CCEDRM
C=C1CC(C)(C(=O)NCCN(C)C(=O)[C@H]2C[C@H]2C(=O)[O-])C1	ZINC001573343381	962903563	/nfs/dbraw/zinc/90/35/63/962903563.db2.gz	DCBJIJMLAAYCDD-WDEREUQCSA-N	-1	0	294.351	0.638	20	30		CCEDRM
C=C(Cl)CN1C[C@@H]2C[C@H]1CN2C(=O)CNC(=O)[O-]	ZINC001573344432	962918542	/nfs/dbraw/zinc/91/85/42/962918542.db2.gz	XXMPWXVDZYLBDH-IUCAKERBSA-N	-1	0	273.720	0.292	20	30		CCEDRM
C=C[C@@](C)(O)CC(=O)N[C@@](C)(COC)CC(=O)[O-]	ZINC001573347817	962952228	/nfs/dbraw/zinc/95/22/28/962952228.db2.gz	ONIRPCBSRUVOET-VXGBXAGGSA-N	-1	0	259.302	0.310	20	30		CCEDRM
C=C[C@](C)(O)CC(=O)N1C[C@@H](C)O[C@H](C(=O)[O-])C1	ZINC001573347972	962953923	/nfs/dbraw/zinc/95/39/23/962953923.db2.gz	QRWDEAAMEUUDMW-PTRXPTGYSA-N	-1	0	257.286	0.014	20	30		CCEDRM
C=CC(C)(C)C(=O)NCCN(CC)C(=O)[C@H]1C[C@@H]1C(=O)[O-]	ZINC001573348664	962960820	/nfs/dbraw/zinc/96/08/20/962960820.db2.gz	ZEMGEUWARLWFJI-QWRGUYRKSA-N	-1	0	296.367	0.884	20	30		CCEDRM
C=CCCC(=O)N[C@@H](C)C[C@H](C)NC(=O)CNC(=O)[O-]	ZINC001573352533	962988503	/nfs/dbraw/zinc/98/85/03/962988503.db2.gz	FITYAORWULJJEB-UWVGGRQHSA-N	-1	0	285.344	0.620	20	30		CCEDRM
C=CCCC[C@@H](NC(=O)Cn1nc(C)oc1=O)C(=O)[O-]	ZINC001573357368	963016088	/nfs/dbraw/zinc/01/60/88/963016088.db2.gz	MCLORRSEQNSGKF-SECBINFHSA-N	-1	0	283.284	0.070	20	30		CCEDRM
C=CCOC[C@H](NC(=O)c1cc(C#N)[nH]c1C)C(=O)[O-]	ZINC001573369409	963096734	/nfs/dbraw/zinc/09/67/34/963096734.db2.gz	SJVBQQRBTPZIMT-NSHDSACASA-N	-1	0	277.280	0.580	20	30		CCEDRM
N#Cc1c2ccccc2[nH]c1C(=O)N[C@@H](CO)C(=O)[O-]	ZINC001570999674	963210512	/nfs/dbraw/zinc/21/05/12/963210512.db2.gz	NHELRBWESCMMKH-JTQLQIEISA-N	-1	0	273.248	0.215	20	30		CCEDRM
COC(=O)[C@@H]1CCN(C(=O)[C@@H]2C[C@@H]2C#N)[C@@H](C(=O)[O-])C1	ZINC001571013545	963298929	/nfs/dbraw/zinc/29/89/29/963298929.db2.gz	LOTDXENSXAKNHZ-ZYUZMQFOSA-N	-1	0	280.280	0.011	20	30		CCEDRM
C=C[C@H](C(=O)[O-])[N@@H+]1CCC[C@@H](CS(C)(=O)=O)C1	ZINC000310104721	963382044	/nfs/dbraw/zinc/38/20/44/963382044.db2.gz	COQWPRYLFGSEMF-NXEZZACHSA-N	-1	0	261.343	0.382	20	30		CCEDRM
C#CCC[C@H](O)CNC(=O)c1ccc(C(=O)[O-])cn1	ZINC001588435355	964021165	/nfs/dbraw/zinc/02/11/65/964021165.db2.gz	MXPGRCWHFFIMHS-JTQLQIEISA-N	-1	0	262.265	0.284	20	30		CCEDRM
C#CCCCCC(=O)NCCNc1ncc(C(=O)[O-])cn1	ZINC001588440431	964037620	/nfs/dbraw/zinc/03/76/20/964037620.db2.gz	UGHMYEXOTXWUCE-UHFFFAOYSA-N	-1	0	290.323	0.897	20	30		CCEDRM
C=C(C)C[C@@H](NC(C)=O)C(=O)Nc1ccn(CC(=O)[O-])n1	ZINC001588443372	964061528	/nfs/dbraw/zinc/06/15/28/964061528.db2.gz	ZTMPJWAECZPGBR-SNVBAGLBSA-N	-1	0	294.311	0.377	20	30		CCEDRM
C#CCN(CC(=O)[O-])C(=O)Cc1c(C)noc1C	ZINC000092476672	967594105	/nfs/dbraw/zinc/59/41/05/967594105.db2.gz	WRIWKCWCZLALLG-UHFFFAOYSA-N	-1	0	250.254	0.380	20	30		CCEDRM
C#CCN(CC(=O)[O-])CC(=O)NCc1ccc(C)cc1	ZINC000092484148	967597428	/nfs/dbraw/zinc/59/74/28/967597428.db2.gz	MQZCMQJVQWKSBV-UHFFFAOYSA-N	-1	0	274.320	0.631	20	30		CCEDRM
C#CCN1CCN(C(=O)[C@@H](C(=O)[O-])C(C)(C)C)CC1	ZINC000394891606	968219267	/nfs/dbraw/zinc/21/92/67/968219267.db2.gz	IUXPUAHIABNICT-NSHDSACASA-N	-1	0	266.341	0.511	20	30		CCEDRM
C[C@@](C#N)(CC(=O)[O-])C(=O)OC[C@@H]1CCCOC1	ZINC001609692975	970452744	/nfs/dbraw/zinc/45/27/44/970452744.db2.gz	KFMXWGOSZBVRKH-SKDRFNHKSA-N	-1	0	255.270	0.961	20	30		CCEDRM
C=CC[C@H](CO)NS(=O)(=O)c1ccc(C(=O)[O-])cc1C	ZINC000320234051	970635471	/nfs/dbraw/zinc/63/54/71/970635471.db2.gz	FIKXCMHWZXGQRJ-LLVKDONJSA-N	-1	0	299.348	0.909	20	30		CCEDRM
CN(CCC#N)C(=O)[C@@H]1CO[C@H](CCC(=O)[O-])C1	ZINC001604126643	972533167	/nfs/dbraw/zinc/53/31/67/972533167.db2.gz	FZEDXMHVIIQFNG-VHSXEESVSA-N	-1	0	254.286	0.628	20	30		CCEDRM
CN(Cc1ccc(C#N)cc1)C(=O)[C@H]1CC(C(=O)[O-])=NO1	ZINC001604187364	972614194	/nfs/dbraw/zinc/61/41/94/972614194.db2.gz	PGALYQXTONUPNR-GFCCVEGCSA-N	-1	0	287.275	0.746	20	30		CCEDRM
C[C@@H]1C[C@H](CNC(=O)[C@@](C)(C#N)CC(=O)[O-])[C@H](C)O1	ZINC001603376304	972937338	/nfs/dbraw/zinc/93/73/38/972937338.db2.gz	WNBFNGARAZZWPW-BSTOTGJRSA-N	-1	0	268.313	0.921	20	30		CCEDRM
N#CCSc1ccccc1C(=O)NC[C@H](O)CC(=O)[O-]	ZINC000398273202	973101030	/nfs/dbraw/zinc/10/10/30/973101030.db2.gz	RBXCKHDLQLTVTH-SECBINFHSA-N	-1	0	294.332	0.868	20	30		CCEDRM
O=C([O-])/C=C\c1cc(C(=O)N[C@@H]2CCN(O)C2=O)co1	ZINC001606064024	973196884	/nfs/dbraw/zinc/19/68/84/973196884.db2.gz	XBGXSJIRPYPDDH-JKERVTFKSA-N	-1	0	280.236	0.097	20	30		CCEDRM
C=C(Br)CN1C[C@H](O)C[C@@H](C(=O)[O-])C1	ZINC000401910974	973524351	/nfs/dbraw/zinc/52/43/51/973524351.db2.gz	SYYLOWSOFPSLJK-HTQZYQBOSA-N	-1	0	264.119	0.662	20	30		CCEDRM
CC[C@H](CC#N)OC(=O)c1cccn(CC(=O)[O-])c1=O	ZINC001603515944	973525609	/nfs/dbraw/zinc/52/56/09/973525609.db2.gz	JCTAXDFWSWRTLS-SECBINFHSA-N	-1	0	278.264	0.782	20	30		CCEDRM
COC[C@]1(C(=O)[O-])CN(C(=O)CCCCC#N)CCO1	ZINC001604551379	973571794	/nfs/dbraw/zinc/57/17/94/973571794.db2.gz	QNAURNZCJZCXEO-ZDUSSCGKSA-N	-1	0	284.312	0.399	20	30		CCEDRM
Cn1c(CCCC#N)nnc1N1CCC[C@@H](C(=O)[O-])C1	ZINC001605467429	973574676	/nfs/dbraw/zinc/57/46/76/973574676.db2.gz	BQJXZNSNWFWVKJ-SNVBAGLBSA-N	-1	0	277.328	0.962	20	30		CCEDRM
N#CCC1(CNS(=O)(=O)CCCC(=O)[O-])CC1	ZINC000404140116	973705389	/nfs/dbraw/zinc/70/53/89/973705389.db2.gz	YSCXHMAZAISYNI-UHFFFAOYSA-N	-1	0	260.315	0.464	20	30		CCEDRM
C#C[C@H](C)NC(=O)N1CCC2(C[C@H]2C(=O)[O-])CC1	ZINC000405380578	973859708	/nfs/dbraw/zinc/85/97/08/973859708.db2.gz	GNDKYFHKZDPXIE-UWVGGRQHSA-N	-1	0	250.298	0.904	20	30		CCEDRM
N#CC[C@]1(O)CCN(C(=O)/C=C\c2ccc(C(=O)[O-])o2)C1	ZINC001605581947	973862669	/nfs/dbraw/zinc/86/26/69/973862669.db2.gz	PSPJQRPSSTWWNL-XBPVQUQDSA-N	-1	0	290.275	0.868	20	30		CCEDRM
N#CC[C@@H]1CCCN([C@H]2CCN(CC(=O)[O-])C2=O)C1	ZINC001605582037	973864438	/nfs/dbraw/zinc/86/44/38/973864438.db2.gz	SBRZSUBVJISWAA-QWRGUYRKSA-N	-1	0	265.313	0.298	20	30		CCEDRM
N#CCCCCNC(=O)[C@H]1CCCN(CC(=O)[O-])C1=O	ZINC001605582181	973864539	/nfs/dbraw/zinc/86/45/39/973864539.db2.gz	UVLHAZDRLKMJEM-SNVBAGLBSA-N	-1	0	281.312	0.120	20	30		CCEDRM
N#Cc1c(F)cccc1C(=O)OCC(=O)C(=O)[O-]	ZINC001605590840	973886042	/nfs/dbraw/zinc/88/60/42/973886042.db2.gz	ODHRNJPCQUYGJQ-UHFFFAOYSA-N	-1	0	251.169	0.508	20	30		CCEDRM
N#Cc1cc(C(=O)N2CCOC[C@@H]2C(=O)[O-])ccc1F	ZINC001605591924	973890843	/nfs/dbraw/zinc/89/08/43/973890843.db2.gz	IQGKPXCZOZWJEE-LLVKDONJSA-N	-1	0	278.239	0.623	20	30		CCEDRM
N#Cc1cc(N[C@H]2CCCCN(CC(=O)[O-])C2=O)ccn1	ZINC001605597192	973895863	/nfs/dbraw/zinc/89/58/63/973895863.db2.gz	GDQPXLNVDOYUPC-LBPRGKRZSA-N	-1	0	288.307	0.253	20	30		CCEDRM
N#CCn1cc(NC(=O)C2(C(=O)[O-])CCOCC2)cn1	ZINC001605601484	973903844	/nfs/dbraw/zinc/90/38/44/973903844.db2.gz	NLLNHJYOXCZSKS-UHFFFAOYSA-N	-1	0	278.268	0.227	20	30		CCEDRM
N#Cc1ccc(NCCNC(=O)[C@H](C(=O)[O-])C2CC2)nc1	ZINC001605612345	973925239	/nfs/dbraw/zinc/92/52/39/973925239.db2.gz	IADRFDJCEQBKKE-GFCCVEGCSA-N	-1	0	288.307	0.592	20	30		CCEDRM
C=CCCCS(=O)(=O)N1CCSC[C@@H]1C(=O)[O-]	ZINC000417474959	973957119	/nfs/dbraw/zinc/95/71/19/973957119.db2.gz	OLTVIVMYECMXHV-SECBINFHSA-N	-1	0	279.383	0.784	20	30		CCEDRM
CCN(CCC#N)S(=O)(=O)N(CC)[C@H](C)C(=O)[O-]	ZINC001603736717	974176646	/nfs/dbraw/zinc/17/66/46/974176646.db2.gz	OPWOWKIVLGUKMI-SECBINFHSA-N	-1	0	277.346	0.262	20	30		CCEDRM
CC(C)NC(=S)NN=Cc1cc(C(=O)[O-])n(C)c1	ZINC001591660533	975393486	/nfs/dbraw/zinc/39/34/86/975393486.db2.gz	BDSAQAWFOWICQG-UHFFFAOYSA-N	-1	0	268.342	0.930	20	30		CCEDRM
C[C@H](CC(=O)N(CC#N)CC(=O)[O-])[C@@H]1CCCO1	ZINC001592226338	977417406	/nfs/dbraw/zinc/41/74/06/977417406.db2.gz	WTPRYRVNWGHZGD-ZJUUUORDSA-N	-1	0	254.286	0.628	20	30		CCEDRM
C[C@@H](CC(=O)[O-])CC(=O)N1CCN(CC#N)CC1	ZINC001592375142	977906302	/nfs/dbraw/zinc/90/63/02/977906302.db2.gz	MGLFPQQSELNCQF-SNVBAGLBSA-N	-1	0	253.302	0.155	20	30		CCEDRM
C[C@@H](CN(C)c1ccc(C(=O)[O-])nc1C#N)c1nn[nH]n1	ZINC001592588605	978513875	/nfs/dbraw/zinc/51/38/75/978513875.db2.gz	MWUWNSGSCBWEAK-ZETCQYMHSA-N	-1	0	287.283	0.404	20	30		CCEDRM
CC[C@@H](C(=O)[O-])C(=O)N1CCC2(CC1)CC(=O)C=CO2	ZINC001594743416	981623032	/nfs/dbraw/zinc/62/30/32/981623032.db2.gz	QXNXISCGVVVXLM-LLVKDONJSA-N	-1	0	281.308	0.962	20	30		CCEDRM
CC[C@@H](C(=O)[O-])C(=O)O[C@H](C)C(=O)N(C)CCC#N	ZINC001594766503	981722584	/nfs/dbraw/zinc/72/25/84/981722584.db2.gz	XNFHITDEPSPSAH-BDAKNGLRSA-N	-1	0	270.285	0.401	20	30		CCEDRM
CC[C@](C)(C#N)C(=O)O[C@H](C)C(=O)NCC(=O)[O-]	ZINC001594778360	981775692	/nfs/dbraw/zinc/77/56/92/981775692.db2.gz	POHPWKFEMSBHEA-RDDDGLTNSA-N	-1	0	256.258	0.059	20	30		CCEDRM
CC[C@](C)(NS(=O)(=O)CC(C)(C)C#N)C(=O)[O-]	ZINC001594853181	982108166	/nfs/dbraw/zinc/10/81/66/982108166.db2.gz	JZOACGDLAQRFOZ-JTQLQIEISA-N	-1	0	262.331	0.709	20	30		CCEDRM
N#CCc1ccccc1S(=O)(=O)NCC(=O)[O-]	ZINC001574790695	983276344	/nfs/dbraw/zinc/27/63/44/983276344.db2.gz	FBAJSGNJFXAQRD-UHFFFAOYSA-N	-1	0	254.267	0.116	20	30		CCEDRM
C#C[C@H](CC)NS(=O)(=O)[C@@H]1CCCC[C@@H]1C(=O)[O-]	ZINC001588369389	983313744	/nfs/dbraw/zinc/31/37/44/983313744.db2.gz	KFWNFRMNTPWGFQ-OUAUKWLOSA-N	-1	0	273.354	0.961	20	30		CCEDRM
C#C[C@H](NC(=O)N1CC[C@@]2(CC(C(=O)[O-])=NO2)C1)C(C)C	ZINC001588372114	983328019	/nfs/dbraw/zinc/32/80/19/983328019.db2.gz	DJMKHBAAQLCBIU-IINYFYTJSA-N	-1	0	293.323	0.659	20	30		CCEDRM
C#C[C@H](NC(=O)Cn1cccc(C(=O)[O-])c1=O)C(C)C	ZINC001588372994	983335348	/nfs/dbraw/zinc/33/53/48/983335348.db2.gz	XJPLQKLXKHWOPJ-NSHDSACASA-N	-1	0	276.292	0.321	20	30		CCEDRM
C#CCC(C)(C)C(=O)N[C@H](Cc1c[nH]cn1)C(=O)[O-]	ZINC001588383592	983382511	/nfs/dbraw/zinc/38/25/11/983382511.db2.gz	FGYZULQDCINOOZ-SNVBAGLBSA-N	-1	0	263.297	0.571	20	30		CCEDRM
C#C[C@@H]1COCCN1CC(=O)Nc1ccc(C(=O)[O-])cc1	ZINC001588383776	983383859	/nfs/dbraw/zinc/38/38/59/983383859.db2.gz	KJWYUARCBPQCGO-CYBMUJFWSA-N	-1	0	288.303	0.657	20	30		CCEDRM
C#CCC(CC#C)C(=O)NCc1nc(C(=O)[O-])co1	ZINC001588390243	983392483	/nfs/dbraw/zinc/39/24/83/983392483.db2.gz	PCCPTFDVIWUHFI-UHFFFAOYSA-N	-1	0	260.249	0.652	20	30		CCEDRM
C#CC[C@@H](COC)Nc1cc(C)nc2nc(C(=O)[O-])nn21	ZINC001588393935	983400694	/nfs/dbraw/zinc/40/06/94/983400694.db2.gz	GRWALHXAQIDPTO-VIFPVBQESA-N	-1	0	289.295	0.581	20	30		CCEDRM
C#CC[C@H](COC)NC(=O)c1ccc(C(=O)[O-])n1C	ZINC001588395398	983405524	/nfs/dbraw/zinc/40/55/24/983405524.db2.gz	QPFJIFWXQDRBLI-SECBINFHSA-N	-1	0	264.281	0.491	20	30		CCEDRM
C#CC[C@@H](CO)NC(=O)NCc1ccc(C(=O)[O-])s1	ZINC001588395799	983406275	/nfs/dbraw/zinc/40/62/75/983406275.db2.gz	UIPHLSQNBNQCTF-QMMMGPOBSA-N	-1	0	282.321	0.630	20	30		CCEDRM
C#CC[C@@H](NC(=O)[C@@H](NC(=O)OCC)C(C)C)C(=O)[O-]	ZINC001588398035	983410596	/nfs/dbraw/zinc/41/05/96/983410596.db2.gz	BGOOQSJSDBGYNQ-ZJUUUORDSA-N	-1	0	284.312	0.350	20	30		CCEDRM
C#CC[C@@H](NC(=O)[C@](C)(OC)C(=O)OC(C)(C)C)C(=O)[O-]	ZINC001588398200	983411268	/nfs/dbraw/zinc/41/12/68/983411268.db2.gz	FNFJLFOQZJFQID-OTYXRUKQSA-N	-1	0	299.323	0.326	20	30		CCEDRM
C#CC[C@H](NC(=O)/C=C/CN(C)CC(F)(F)F)C(=O)[O-]	ZINC001588407291	983428031	/nfs/dbraw/zinc/42/80/31/983428031.db2.gz	YJCBKRWYLGMTPN-DNQSNQRASA-N	-1	0	292.257	0.629	20	30		CCEDRM
C#CC[C@H](NC(=O)Cc1ccccc1C(=O)OC)C(=O)[O-]	ZINC001588408125	983430597	/nfs/dbraw/zinc/43/05/97/983430597.db2.gz	YPCLOXPVJOGUKP-LBPRGKRZSA-N	-1	0	289.287	0.608	20	30		CCEDRM
C#CC[C@@H](NC(=O)c1cc(=O)c2ccccc2n1C)C(=O)[O-]	ZINC001588413843	983432507	/nfs/dbraw/zinc/43/25/07/983432507.db2.gz	JNJRAHXEQDRGPB-LLVKDONJSA-N	-1	0	298.298	0.745	20	30		CCEDRM
C#CC[C@@H](NC(=O)c1cncc2[nH]cnc21)C(=O)[O-]	ZINC001588417146	983438674	/nfs/dbraw/zinc/43/86/74/983438674.db2.gz	YYPMRMOMLKXTPW-MRVPVSSYSA-N	-1	0	258.237	0.164	20	30		CCEDRM
C#CC[C@@H](NC(=O)c1ncc2c(F)cccn21)C(=O)[O-]	ZINC001588422412	983446252	/nfs/dbraw/zinc/44/62/52/983446252.db2.gz	XUFUNWBYJSERSO-SECBINFHSA-N	-1	0	275.239	0.680	20	30		CCEDRM
C#CCC1(O)CCN(C(=O)[C@H]2C[C@@H](C)[C@H](C(=O)[O-])O2)CC1	ZINC001588431736	983465426	/nfs/dbraw/zinc/46/54/26/983465426.db2.gz	MSZNUSBLZBQPAD-IJLUTSLNSA-N	-1	0	295.335	0.241	20	30		CCEDRM
C#CC[C@@H]1NC(=O)N([C@H]2C[C@@H](C(=O)[O-])[C@@H]3C[C@@H]32)C1=O	ZINC001588433625	983468028	/nfs/dbraw/zinc/46/80/28/983468028.db2.gz	BHSPYEAIPZQHNM-KGDYZURWSA-N	-1	0	262.265	0.039	20	30		CCEDRM
C#CC[C@@H]1NC(=O)N([C@H](C)c2ncc(C(=O)[O-])s2)C1=O	ZINC001588433652	983468118	/nfs/dbraw/zinc/46/81/18/983468118.db2.gz	BLEKCNUUYWXDIK-RQJHMYQMSA-N	-1	0	293.304	0.846	20	30		CCEDRM
C#CC[C@@H]1CCN(S(=O)(=O)c2cc(C(=O)[O-])no2)C1	ZINC001588434513	983470549	/nfs/dbraw/zinc/47/05/49/983470549.db2.gz	MCPWQPQSJOWWOH-MRVPVSSYSA-N	-1	0	284.293	0.407	20	30		CCEDRM
C#CC[C@H]1CCN(C(=O)CN2CCC[C@H](C(=O)[O-])C2=O)C1	ZINC001588434627	983471309	/nfs/dbraw/zinc/47/13/09/983471309.db2.gz	OYWBXYSEJJQEQK-RYUDHWBXSA-N	-1	0	292.335	0.181	20	30		CCEDRM
C#CC[C@H]1NC(=O)N(Cc2ccccc2CC(=O)[O-])C1=O	ZINC001588434753	983472394	/nfs/dbraw/zinc/47/23/94/983472394.db2.gz	SBGZEXREOCUZGP-GFCCVEGCSA-N	-1	0	286.287	0.757	20	30		CCEDRM
C#CCCOC(=O)N1CC[C@]2(CC(C(=O)[O-])=NO2)C1	ZINC001588456124	983481765	/nfs/dbraw/zinc/48/17/65/983481765.db2.gz	ZROWZNDTRFNZQQ-LBPRGKRZSA-N	-1	0	266.253	0.452	20	30		CCEDRM
C#CCCS(=O)(=O)N[C@](C)(CCF)C(=O)[O-]	ZINC001588459079	983484594	/nfs/dbraw/zinc/48/45/94/983484594.db2.gz	YFBCMTFTSDISOA-SECBINFHSA-N	-1	0	251.279	0.132	20	30		CCEDRM
C#CCN(CC#C)S(=O)(=O)c1cc(C)c(C(=O)[O-])o1	ZINC001588464780	983494427	/nfs/dbraw/zinc/49/44/27/983494427.db2.gz	KTDFNBDMXQJERM-UHFFFAOYSA-N	-1	0	281.289	0.543	20	30		CCEDRM
C#CCN1CCC[C@@H](NC(=O)N2CC[C@H](C(=O)[O-])C2)C1	ZINC001588477392	983515611	/nfs/dbraw/zinc/51/56/11/983515611.db2.gz	ZFWBIKUFCVDOHC-NWDGAFQWSA-N	-1	0	279.340	0.200	20	30		CCEDRM
C#CCNC(=O)COC(=O)c1[nH]c(CC)c(C(=O)[O-])c1C	ZINC001588483584	983521224	/nfs/dbraw/zinc/52/12/24/983521224.db2.gz	BTWSUZSYCIBMEG-UHFFFAOYSA-N	-1	0	292.291	0.490	20	30		CCEDRM
C#CCNC(=O)CN[C@H](C(=O)[O-])c1ccc(C)c(C)c1	ZINC001588483593	983521533	/nfs/dbraw/zinc/52/15/33/983521533.db2.gz	CFHPPIGDYVMCSP-AWEZNQCLSA-N	-1	0	274.320	0.768	20	30		CCEDRM
C#CCO[C@@H](C)C(=O)Nc1cccc(CC(=O)[O-])n1	ZINC001588490148	983530971	/nfs/dbraw/zinc/53/09/71/983530971.db2.gz	HNTBUHIPFLOKFT-VIFPVBQESA-N	-1	0	262.265	0.686	20	30		CCEDRM
C#CCO[C@@H](C)C(=O)Nc1cc(C(=O)[O-])c[nH]c1=O	ZINC001588490584	983532900	/nfs/dbraw/zinc/53/29/00/983532900.db2.gz	QDCUEUGLJPUTNX-ZETCQYMHSA-N	-1	0	264.237	0.462	20	30		CCEDRM
C#CCOCCOC(=O)[C@H]1C[C@@H](C)[C@H](C(=O)[O-])O1	ZINC001588491477	983536315	/nfs/dbraw/zinc/53/63/15/983536315.db2.gz	NYBLJKIYCDIBNF-OPRDCNLKSA-N	-1	0	256.254	0.058	20	30		CCEDRM
C#CCOCCNC(=O)N1C[C@@H](C)[C@H](CC(=O)[O-])C1	ZINC001588491755	983537473	/nfs/dbraw/zinc/53/74/73/983537473.db2.gz	UUWXOAHWTZPADB-GHMZBOCLSA-N	-1	0	268.313	0.388	20	30		CCEDRM
C#CCSCC(=O)N[C@H](Cc1ccccc1O)C(=O)[O-]	ZINC001588506446	983551576	/nfs/dbraw/zinc/55/15/76/983551576.db2.gz	QTPFWEBRWPNUOG-LLVKDONJSA-N	-1	0	293.344	0.871	20	30		CCEDRM
C#CCSCC(=O)Nc1cc(C(=O)[O-])n(C)n1	ZINC001588506467	983551860	/nfs/dbraw/zinc/55/18/60/983551860.db2.gz	ROXBFHXGMYVKJZ-UHFFFAOYSA-N	-1	0	253.283	0.423	20	30		CCEDRM
C#CCn1cc(CNC(=O)c2ccc(C(=O)[O-])o2)cn1	ZINC001588509913	983554056	/nfs/dbraw/zinc/55/40/56/983554056.db2.gz	UANDOAZKYYBWOS-UHFFFAOYSA-N	-1	0	273.248	0.738	20	30		CCEDRM
C#Cc1ccc(C(=O)NC[C@H](C(=O)[O-])[C@H]2CCOC2)cn1	ZINC001588511292	983559305	/nfs/dbraw/zinc/55/93/05/983559305.db2.gz	UNNWIQSHCLMBBW-AAEUAGOBSA-N	-1	0	288.303	0.530	20	30		CCEDRM
C=C(C)[C@H](CC(=O)NC[C@H]1CCO[C@H]1C(=O)[O-])OCC	ZINC001588529908	983582687	/nfs/dbraw/zinc/58/26/87/983582687.db2.gz	LELQYDNJGGCGLU-NTZNESFSSA-N	-1	0	285.340	0.964	20	30		CCEDRM
C=C(C)[C@@H](CO)n1cc(CCC(=O)CC(=O)[O-])nn1	ZINC001588536035	983592023	/nfs/dbraw/zinc/59/20/23/983592023.db2.gz	TVUXFGTWIZMWET-LLVKDONJSA-N	-1	0	267.285	0.364	20	30		CCEDRM
C=C(C)C[C@H](NC(=O)C(=O)N1CCC[C@@H](C)C1)C(=O)[O-]	ZINC001588537515	983600223	/nfs/dbraw/zinc/60/02/23/983600223.db2.gz	QXGGCRGRSGZGTB-MNOVXSKESA-N	-1	0	282.340	0.781	20	30		CCEDRM
CCN(CC(=O)[O-])C(=O)[C@@H](O)c1ccc(C#N)cc1	ZINC001596212732	983603745	/nfs/dbraw/zinc/60/37/45/983603745.db2.gz	RPJBZJJEZKXCJA-LBPRGKRZSA-N	-1	0	262.265	0.525	20	30		CCEDRM
C=C(C)C[C@H](NC(=O)[C@H]1CCc2nnnn2CC1)C(=O)[O-]	ZINC001588540981	983605885	/nfs/dbraw/zinc/60/58/85/983605885.db2.gz	PVKJVDBBTFDFHL-UWVGGRQHSA-N	-1	0	293.327	0.161	20	30		CCEDRM
C=C(C)C[C@@H](NC(=O)[C@@H]1CCCN(C(C)=O)C1)C(=O)[O-]	ZINC001588540927	983605928	/nfs/dbraw/zinc/60/59/28/983605928.db2.gz	PAENGHUTTJKQTM-VXGBXAGGSA-N	-1	0	282.340	0.781	20	30		CCEDRM
C=C(C)C[C@H](NC(C)=O)C(=O)N1CC[C@@H](C(=O)[O-])C1	ZINC001588547013	983617864	/nfs/dbraw/zinc/61/78/64/983617864.db2.gz	GVYDOESLPQTNED-MNOVXSKESA-N	-1	0	268.313	0.390	20	30		CCEDRM
C=C(C)C[C@@H](NC(=O)c1cnc(CN)s1)C(=O)[O-]	ZINC001588547507	983620220	/nfs/dbraw/zinc/62/02/20/983620220.db2.gz	DBNINYXBNQTODO-SSDOTTSWSA-N	-1	0	269.326	0.751	20	30		CCEDRM
C=C(C)C[C@H](NC(=O)c1cnc(C(=O)OC)cn1)C(=O)[O-]	ZINC001588547448	983620301	/nfs/dbraw/zinc/62/03/01/983620301.db2.gz	CALPLGOCYBJLDL-QMMMGPOBSA-N	-1	0	293.279	0.412	20	30		CCEDRM
C=C(C)C[C@@H](NC(=O)c1ccnc2[nH]c(=O)[nH]c21)C(=O)[O-]	ZINC001588548952	983625992	/nfs/dbraw/zinc/62/59/92/983625992.db2.gz	UWLREEGNEXNBQU-MRVPVSSYSA-N	-1	0	290.279	0.813	20	30		CCEDRM
C=C(C)C[C@@H](NS(=O)(=O)C[C@H](OC)C(C)C)C(=O)[O-]	ZINC001588553083	983627298	/nfs/dbraw/zinc/62/72/98/983627298.db2.gz	GSWBHLHORJDQPJ-MNOVXSKESA-N	-1	0	293.385	0.996	20	30		CCEDRM
C=C(C)CN(CC)C(=O)CN1CCC[C@@H](O)[C@H]1C(=O)[O-]	ZINC001588563366	983645111	/nfs/dbraw/zinc/64/51/11/983645111.db2.gz	RUYDCSKHDAAHDS-YPMHNXCESA-N	-1	0	284.356	0.321	20	30		CCEDRM
C=C(CCC(=O)[O-])C(=O)N(CCCCC)CC(N)=O	ZINC001588612057	983701855	/nfs/dbraw/zinc/70/18/55/983701855.db2.gz	HJDNXPUZISOXHR-UHFFFAOYSA-N	-1	0	270.329	0.912	20	30		CCEDRM
C=C(CCC(=O)[O-])C(=O)N1CC[S@@](=O)C[C@H](C)C1	ZINC001588619519	983717162	/nfs/dbraw/zinc/71/71/62/983717162.db2.gz	WOETZBZIUXMIJO-DYBLOJMWSA-N	-1	0	273.354	0.634	20	30		CCEDRM
C=C(CCC(=O)[O-])C(=O)N[C@H]1CC(C)(C)OC1=O	ZINC001588621224	983718880	/nfs/dbraw/zinc/71/88/80/983718880.db2.gz	BFVHWZYGCLNHKR-QMMMGPOBSA-N	-1	0	255.270	0.618	20	30		CCEDRM
C=C(CCC(=O)[O-])C(=O)N[C@H](C)c1nnc2n1CCC2	ZINC001588621948	983721517	/nfs/dbraw/zinc/72/15/17/983721517.db2.gz	MQHHAZXSNGWRBP-SECBINFHSA-N	-1	0	278.312	0.823	20	30		CCEDRM
C=C(CCC(=O)[O-])C(=O)NC[C@@H](C(=O)OC)[C@H]1CCOC1	ZINC001588622957	983725960	/nfs/dbraw/zinc/72/59/60/983725960.db2.gz	HKGXYELECCWWAR-WDEREUQCSA-N	-1	0	299.323	0.349	20	30		CCEDRM
C=C(CCC(=O)[O-])C(=O)NC1CN(c2ccncn2)C1	ZINC001588623710	983729030	/nfs/dbraw/zinc/72/90/30/983729030.db2.gz	UYOUWLWMWCJFIE-UHFFFAOYSA-N	-1	0	276.296	0.202	20	30		CCEDRM
C=C(CCC(=O)OC)C(=O)NC[C@H](C(=O)[O-])[C@H]1CCOC1	ZINC001588634039	983751801	/nfs/dbraw/zinc/75/18/01/983751801.db2.gz	VDWBPWJFKBXNPV-QWRGUYRKSA-N	-1	0	299.323	0.349	20	30		CCEDRM
CCN(CCNC(=O)C#CC1CC1)C(=O)[C@H]1C[C@@H]1C(=O)[O-]	ZINC001596328933	983765843	/nfs/dbraw/zinc/76/58/43/983765843.db2.gz	GRWZIFOEWJVUKL-RYUDHWBXSA-N	-1	0	292.335	0.085	20	30		CCEDRM
C=C(Cn1cnc(C(=O)[O-])cc1=O)C(=O)OCC	ZINC001588643497	983766119	/nfs/dbraw/zinc/76/61/19/983766119.db2.gz	JPMHANBUTYMPTM-UHFFFAOYSA-N	-1	0	252.226	0.061	20	30		CCEDRM
C=C1CCC(CNC(=O)C(=O)NC[C@H](F)C(=O)[O-])CC1	ZINC001588649860	983770869	/nfs/dbraw/zinc/77/08/69/983770869.db2.gz	IPLSPMUIXUUJTN-JTQLQIEISA-N	-1	0	286.303	0.388	20	30		CCEDRM
C=C[C@@H](C(=O)[O-])N1Cc2cc(C(=O)OCC)nn2C[C@@H]1C	ZINC001588669712	983814552	/nfs/dbraw/zinc/81/45/52/983814552.db2.gz	NWKCLVWDXHITPR-CABZTGNLSA-N	-1	0	293.323	0.903	20	30		CCEDRM
C=C[C@](C)(O)CC(=O)NC1(C(=O)[O-])CCSCC1	ZINC001588684548	983860828	/nfs/dbraw/zinc/86/08/28/983860828.db2.gz	SXBVYKSICGVWOX-NSHDSACASA-N	-1	0	273.354	0.780	20	30		CCEDRM
C=C[C@](C)(O)CC(=O)N1CC[C@H](C(=O)[O-])C[C@@H]1C(=O)OC	ZINC001588684775	983863935	/nfs/dbraw/zinc/86/39/35/983863935.db2.gz	YAGSPQKOWAGCSS-RBZYPMLTSA-N	-1	0	299.323	0.178	20	30		CCEDRM
C=C[C@@H](C)NC(=O)C(=O)Nc1cnn(C(C)(C)C(=O)[O-])c1	ZINC001588688019	983872740	/nfs/dbraw/zinc/87/27/40/983872740.db2.gz	WGXJCCYAKPLZLS-MRVPVSSYSA-N	-1	0	294.311	0.332	20	30		CCEDRM
C=C[C@H](N[C@@H](Cc1cncs1)C(=O)OC)C(=O)[O-]	ZINC001588696155	983902423	/nfs/dbraw/zinc/90/24/23/983902423.db2.gz	MCSHHVOUVFHLHT-IUCAKERBSA-N	-1	0	270.310	0.456	20	30		CCEDRM
C=C[C@H](OC(=O)[C@@H](OCC)[C@H]1CCOC1)C(=O)[O-]	ZINC001588705077	983926005	/nfs/dbraw/zinc/92/60/05/983926005.db2.gz	KALARPOUGZUNCX-GUBZILKMSA-N	-1	0	258.270	0.610	20	30		CCEDRM
C=C[C@H](O)c1nnc(N2CC[C@@](F)(C(=O)[O-])C2)n1C	ZINC001588705819	983928245	/nfs/dbraw/zinc/92/82/45/983928245.db2.gz	POULUITYRZZKQF-CPCISQLKSA-N	-1	0	270.264	0.038	20	30		CCEDRM
C=C[C@@H](OC(=O)Cn1c(C)c(C)sc1=O)C(=O)[O-]	ZINC001588710572	983932817	/nfs/dbraw/zinc/93/28/17/983932817.db2.gz	FNKNGARHINNDHK-MRVPVSSYSA-N	-1	0	271.294	0.709	20	30		CCEDRM
C=C[C@H](OC(=O)C[S@@](=O)c1cccc(OC)c1)C(=O)[O-]	ZINC001588711202	983936739	/nfs/dbraw/zinc/93/67/39/983936739.db2.gz	MWWJVKPTHIFJSE-PRWKNARSSA-N	-1	0	298.316	0.985	20	30		CCEDRM
C=C[C@H](OC(=O)[C@H](CC(C)C)NC(C)=O)C(=O)[O-]	ZINC001588712480	983944499	/nfs/dbraw/zinc/94/44/99/983944499.db2.gz	MATSSWVFAHOZNU-UWVGGRQHSA-N	-1	0	257.286	0.720	20	30		CCEDRM
C=C[C@@H](OC(=O)c1ccc(C(=O)[O-])o1)C(=O)OC	ZINC001588713427	983949165	/nfs/dbraw/zinc/94/91/65/983949165.db2.gz	WIGUPMNLPMORNW-ZCFIWIBFSA-N	-1	0	254.194	0.862	20	30		CCEDRM
C=CC[C@@H](C(=O)OC)N1CC[C@@H](n2cc(C(=O)[O-])nn2)C1	ZINC001588731700	984011693	/nfs/dbraw/zinc/01/16/93/984011693.db2.gz	NILJIBWRAMUNQD-KOLCDFICSA-N	-1	0	294.311	0.341	20	30		CCEDRM
C=CC[C@@H](CO)NC(=O)c1ccc(C(=O)[O-])n1C	ZINC001588743824	984040151	/nfs/dbraw/zinc/04/01/51/984040151.db2.gz	DDDYFBCVHFIKNY-QMMMGPOBSA-N	-1	0	252.270	0.390	20	30		CCEDRM
C=CC[C@H](OC(=O)[C@H](OC)c1cnn(C)c1)C(=O)[O-]	ZINC001588751320	984075967	/nfs/dbraw/zinc/07/59/67/984075967.db2.gz	LJULFRVAVBFEEH-VHSXEESVSA-N	-1	0	268.269	0.680	20	30		CCEDRM
C=CC[C@@H](OC(=O)CN(C)[C@H]1CCSC1)C(=O)[O-]	ZINC001588753239	984083369	/nfs/dbraw/zinc/08/33/69/984083369.db2.gz	CXAQTVDSSLMQKV-VHSXEESVSA-N	-1	0	273.354	0.996	20	30		CCEDRM
C=CC[C@H](OC(=O)[C@@H]1CCc2nnn(C)c2C1)C(=O)[O-]	ZINC001588753694	984087991	/nfs/dbraw/zinc/08/79/91/984087991.db2.gz	LXDAKSAFYPAZOP-KCJUWKMLSA-N	-1	0	279.296	0.493	20	30		CCEDRM
C=CC[C@@H](OC(=O)[C@H]1CCCN(C2CC2)C1=O)C(=O)[O-]	ZINC001588753762	984088763	/nfs/dbraw/zinc/08/87/63/984088763.db2.gz	MWMRGMRSXHUBII-WDEREUQCSA-N	-1	0	281.308	0.960	20	30		CCEDRM
C=CCC1(C(=O)N[C@H](Cn2cncn2)C(=O)[O-])CCC1	ZINC001588763016	984118004	/nfs/dbraw/zinc/11/80/04/984118004.db2.gz	PSZBZXDIUATFJC-SNVBAGLBSA-N	-1	0	278.312	0.594	20	30		CCEDRM
C=CCC1(O)CCN(S(=O)(=O)C[C@H](C)C(=O)[O-])CC1	ZINC001588769142	984132350	/nfs/dbraw/zinc/13/23/50/984132350.db2.gz	NAHPSJMXSHQRKO-JTQLQIEISA-N	-1	0	291.369	0.440	20	30		CCEDRM
C=CCCC(=O)NC1(CC(=O)[O-])CCS(=O)(=O)CC1	ZINC001588774053	984150970	/nfs/dbraw/zinc/15/09/70/984150970.db2.gz	QRJGMLZQTQKAJD-UHFFFAOYSA-N	-1	0	289.353	0.491	20	30		CCEDRM
C=CCC[C@H](CO)NC(=O)CCc1ocnc1C(=O)[O-]	ZINC001588777693	984157414	/nfs/dbraw/zinc/15/74/14/984157414.db2.gz	GCEHFIWAMZREQU-SECBINFHSA-N	-1	0	282.296	0.749	20	30		CCEDRM
C=CCC[C@@H](O)Cn1cc(CO[C@H](C)C(=O)[O-])nn1	ZINC001588779397	984165765	/nfs/dbraw/zinc/16/57/65/984165765.db2.gz	XKHUZPFSGAHSBL-MWLCHTKSSA-N	-1	0	269.301	0.595	20	30		CCEDRM
C=CCCCC(=O)N(C)CCNC(=O)[C@H]1C[C@H]1C(=O)[O-]	ZINC001588781856	984168416	/nfs/dbraw/zinc/16/84/16/984168416.db2.gz	KAFIVSWWGMVZCE-WDEREUQCSA-N	-1	0	282.340	0.638	20	30		CCEDRM
C=CCCCC(=O)N[C@@H](Cn1cncn1)C(=O)[O-]	ZINC001588782513	984172870	/nfs/dbraw/zinc/17/28/70/984172870.db2.gz	GNVSLJUAPLPDGB-VIFPVBQESA-N	-1	0	252.274	0.204	20	30		CCEDRM
C=CCCC[C@H](NC(=O)[C@H](C)S(C)(=O)=O)C(=O)[O-]	ZINC001588785941	984182250	/nfs/dbraw/zinc/18/22/50/984182250.db2.gz	KSTKBEOCYLGNFY-IUCAKERBSA-N	-1	0	277.342	0.345	20	30		CCEDRM
C=CCCC[C@@H](NC(=O)C[C@H]1CCC(=O)N1)C(=O)[O-]	ZINC001588789329	984197878	/nfs/dbraw/zinc/19/78/78/984197878.db2.gz	AZXAZBOLPAVZOV-NXEZZACHSA-N	-1	0	268.313	0.581	20	30		CCEDRM
C=CCCC[C@H](NC(=O)c1nccnc1N)C(=O)[O-]	ZINC001588797277	984228923	/nfs/dbraw/zinc/22/89/23/984228923.db2.gz	ASEAUUWKHWCDPW-QMMMGPOBSA-N	-1	0	264.285	0.598	20	30		CCEDRM
C=CCCc1ccc(S(=O)(=O)N[C@@H](CO)C(=O)[O-])cc1	ZINC001588814694	984271920	/nfs/dbraw/zinc/27/19/20/984271920.db2.gz	LZIBSYCRPPGNDB-LBPRGKRZSA-N	-1	0	299.348	0.529	20	30		CCEDRM
C=CCN(CCC#N)Cn1nc(C(=O)[O-])cc1C(=O)OC	ZINC001588826548	984304296	/nfs/dbraw/zinc/30/42/96/984304296.db2.gz	JUZJPBZMDSZBRH-UHFFFAOYSA-N	-1	0	292.295	0.727	20	30		CCEDRM
C=CCN1CC[C@H](N2CCCC[C@]2(COC)C(=O)[O-])C1=O	ZINC001588838936	984342525	/nfs/dbraw/zinc/34/25/25/984342525.db2.gz	MLDPUMIMXLRQRV-WFASDCNBSA-N	-1	0	296.367	0.729	20	30		CCEDRM
C=CCNC(=O)NC(=O)[C@H](C)Sc1nc(C(=O)[O-])c[nH]1	ZINC001588843835	984354418	/nfs/dbraw/zinc/35/44/18/984354418.db2.gz	INBXLASSUAAXKY-LURJTMIESA-N	-1	0	298.324	0.600	20	30		CCEDRM
C=CCNC(=S)NN=C1CCCn2nc(C(=O)[O-])cc21	ZINC001588845405	984362788	/nfs/dbraw/zinc/36/27/88/984362788.db2.gz	LZVSAOHWBXVXEJ-UHFFFAOYSA-N	-1	0	293.352	0.729	20	30		CCEDRM
C=CCOC[C@H](NC(=O)[C@H]1CCC[C@@H](OC)C1)C(=O)[O-]	ZINC001588855450	984392516	/nfs/dbraw/zinc/39/25/16/984392516.db2.gz	GZKTXDCEPBMGJB-TUAOUCFPSA-N	-1	0	285.340	0.964	20	30		CCEDRM
C=CCOC[C@H](NC(=O)[C@@H]1CCC[C@H](OC)C1)C(=O)[O-]	ZINC001588855452	984392649	/nfs/dbraw/zinc/39/26/49/984392649.db2.gz	GZKTXDCEPBMGJB-WOPDTQHZSA-N	-1	0	285.340	0.964	20	30		CCEDRM
C=CCOC[C@@H](NC(=O)[C@@H]1CCCN(C(C)=O)C1)C(=O)[O-]	ZINC001588855840	984394499	/nfs/dbraw/zinc/39/44/99/984394499.db2.gz	PUZUPWYIMFKOLV-VXGBXAGGSA-N	-1	0	298.339	0.017	20	30		CCEDRM
C=CCOC[C@H](NC(=O)[C@@H](O)C(C)(C)C)C(=O)[O-]	ZINC001588856346	984399272	/nfs/dbraw/zinc/39/92/72/984399272.db2.gz	YHPQTLQIKSPZAY-DTWKUNHWSA-N	-1	0	259.302	0.165	20	30		CCEDRM
C=CCOC[C@H](NC(=O)c1ccc([N+](=O)[O-])n1C)C(=O)[O-]	ZINC001588861832	984416889	/nfs/dbraw/zinc/41/68/89/984416889.db2.gz	NAONUYMGRHTVFA-QMMMGPOBSA-N	-1	0	297.267	0.319	20	30		CCEDRM
C=CCOC[C@H](NC(=O)c1ccn(C(F)F)n1)C(=O)[O-]	ZINC001588862162	984417481	/nfs/dbraw/zinc/41/74/81/984417481.db2.gz	RLKACJLALUUXBX-QMMMGPOBSA-N	-1	0	289.238	0.664	20	30		CCEDRM
C=CCOC[C@@H](NS(=O)(=O)c1ccccn1)C(=O)[O-]	ZINC001588866249	984424052	/nfs/dbraw/zinc/42/40/52/984424052.db2.gz	CNUJRLUYZAYKBT-SECBINFHSA-N	-1	0	286.309	0.016	20	30		CCEDRM
C=CCOC[C@@H](NCc1nnn(C(C)(C)C)n1)C(=O)[O-]	ZINC001588866348	984424670	/nfs/dbraw/zinc/42/46/70/984424670.db2.gz	MOBGEALJEIDAOD-SECBINFHSA-N	-1	0	283.332	0.174	20	30		CCEDRM
C=CCOCCCN1C(=O)[C@H]2C[C@H](C(=O)[O-])CCN2C1=O	ZINC001588867079	984429983	/nfs/dbraw/zinc/42/99/83/984429983.db2.gz	WILCQUCSFBBVDX-GHMZBOCLSA-N	-1	0	296.323	0.707	20	30		CCEDRM
C=CCOCCNC(=O)NCCc1ncc(C(=O)[O-])s1	ZINC001588869061	984437641	/nfs/dbraw/zinc/43/76/41/984437641.db2.gz	PRUDKBBFBFBAQY-UHFFFAOYSA-N	-1	0	299.352	0.886	20	30		CCEDRM
C=CCSCCn1nnnc1N1C[C@@H](C)[C@H](C(=O)[O-])C1	ZINC001588879937	984460051	/nfs/dbraw/zinc/46/00/51/984460051.db2.gz	ZEBJKTFHBLDSMF-NXEZZACHSA-N	-1	0	297.384	0.749	20	30		CCEDRM
C=CCn1nnnc1S[C@H]1CCN(CCC(=O)[O-])C1=O	ZINC001588912823	984552648	/nfs/dbraw/zinc/55/26/48/984552648.db2.gz	PBUILLXKICOPLU-QMMMGPOBSA-N	-1	0	297.340	0.027	20	30		CCEDRM
C=C[C@H](CO)NS(=O)(=O)c1cc(C(=O)[O-])oc1CC	ZINC001588919299	984571136	/nfs/dbraw/zinc/57/11/36/984571136.db2.gz	GTGNWDYMHKSLBG-SSDOTTSWSA-N	-1	0	289.309	0.365	20	30		CCEDRM
CC#CCNC(=O)N1CCC[C@@H](n2cc(C(=O)[O-])nn2)C1	ZINC001588931929	984604681	/nfs/dbraw/zinc/60/46/81/984604681.db2.gz	GNGREGRHPHNZMV-SNVBAGLBSA-N	-1	0	291.311	0.346	20	30		CCEDRM
CC#CCNC(=O)N[C@H]1CCCn2nc(C(=O)[O-])cc21	ZINC001588932315	984607547	/nfs/dbraw/zinc/60/75/47/984607547.db2.gz	RAEDLANGENYRCH-VIFPVBQESA-N	-1	0	276.296	0.739	20	30		CCEDRM
C[C@H](/N=C/c1ccccc1O)C(=O)N[C@@H](C)C(=O)[O-]	ZINC001599891404	984698452	/nfs/dbraw/zinc/69/84/52/984698452.db2.gz	NFHZXDVSRKNFJL-CFQUMVPPSA-N	-1	0	264.281	0.789	20	30		CCEDRM
C[C@H](Cc1cn(C)nn1)Nc1ccc(C(=O)[O-])nc1C#N	ZINC001599892520	984712696	/nfs/dbraw/zinc/71/26/96/984712696.db2.gz	SWLWQWLDECSBRX-MRVPVSSYSA-N	-1	0	286.295	0.823	20	30		CCEDRM
C/C(=C/CNC(=O)N1C[C@H](C)N(CC#N)[C@@H](C)C1)C(=O)[O-]	ZINC001588969803	984783266	/nfs/dbraw/zinc/78/32/66/984783266.db2.gz	XRLIGBDDQOBBPE-UWMOLUOFSA-N	-1	0	294.355	0.645	20	30		CCEDRM
C[C@H]1CN(c2nnc([C@@H]3C[C@H]3C#N)n2C)C[C@]1(C)C(=O)[O-]	ZINC001599935367	985385253	/nfs/dbraw/zinc/38/52/53/985385253.db2.gz	PKHNUICCQNIUHF-RZGXBDKHSA-N	-1	0	289.339	0.989	20	30		CCEDRM
C[C@H]1CN(C(=O)NC[C@H](F)C(=O)[O-])C[C@H](C)N1CC#N	ZINC001594476024	985488656	/nfs/dbraw/zinc/48/86/56/985488656.db2.gz	PVPWCKMFASVZBX-GUBZILKMSA-N	-1	0	286.307	0.037	20	30		CCEDRM
C[C@@H]1CN(C(=O)c2ccc(C#N)o2)CCN1CCC(=O)[O-]	ZINC001594493680	985617146	/nfs/dbraw/zinc/61/71/46/985617146.db2.gz	WMTWQCQHNWDFMM-SNVBAGLBSA-N	-1	0	291.307	0.772	20	30		CCEDRM
C[C@H](C#N)C(=O)N(C)CCN(C)c1ncc(C(=O)[O-])cn1	ZINC001589323415	986145340	/nfs/dbraw/zinc/14/53/40/986145340.db2.gz	CXUTUHUXMRZKQI-SECBINFHSA-N	-1	0	291.311	0.229	20	30		CCEDRM
C[C@H](C#N)C(=O)N1CC[C@@H](Nc2ncc(C(=O)[O-])cn2)C1	ZINC001589323732	986149100	/nfs/dbraw/zinc/14/91/00/986149100.db2.gz	LEBLKJDVQNOZNZ-PSASIEDQSA-N	-1	0	289.295	0.347	20	30		CCEDRM
C[C@@H](C#N)CN(C)C(=O)NC[C@H]1CCO[C@H]1C(=O)[O-]	ZINC001589329119	986161391	/nfs/dbraw/zinc/16/13/91/986161391.db2.gz	JAVNVTSMOSCGRK-IVZWLZJFSA-N	-1	0	269.301	0.277	20	30		CCEDRM
C[C@@H](C#N)CN(Cc1cn(CC(=O)[O-])nn1)C1CC1	ZINC001589330516	986173273	/nfs/dbraw/zinc/17/32/73/986173273.db2.gz	HZMIJQKCDUCROQ-VIFPVBQESA-N	-1	0	263.301	0.487	20	30		CCEDRM
C[C@H](C#N)OCCOC(=O)c1cccc(C(=O)[O-])n1	ZINC001589331354	986183683	/nfs/dbraw/zinc/18/36/83/986183683.db2.gz	BVOGWWAISPWQQB-MRVPVSSYSA-N	-1	0	264.237	0.865	20	30		CCEDRM
C[C@H](C#N)N(C(=O)[C@H]1C[C@@H](C)[C@H](C(=O)[O-])O1)C1CC1	ZINC001589331379	986185197	/nfs/dbraw/zinc/18/51/97/986185197.db2.gz	CMJLQLBXIAPMAP-YJFSRANCSA-N	-1	0	266.297	0.768	20	30		CCEDRM
C[C@H](C#N)OCCOC(=O)CC[C@@H]1C[C@H](C(=O)[O-])CO1	ZINC001589331888	986193566	/nfs/dbraw/zinc/19/35/66/986193566.db2.gz	SGKIOPFRUQTDHR-OUAUKWLOSA-N	-1	0	285.296	0.728	20	30		CCEDRM
C[C@@H](C#N)N(Cn1nc(C(=O)[O-])ccc1=O)C1CC1	ZINC001589331870	986193657	/nfs/dbraw/zinc/19/36/57/986193657.db2.gz	RKROKYBMKMUONE-QMMMGPOBSA-N	-1	0	262.269	0.275	20	30		CCEDRM
C[C@H](C#N)N(C1CC1)S(=O)(=O)[C@H]1CC[C@@H](C(=O)[O-])C1	ZINC001589332137	986198150	/nfs/dbraw/zinc/19/81/50/986198150.db2.gz	ZAJXWIGKKCLRQZ-KKZNHRDASA-N	-1	0	286.353	0.946	20	30		CCEDRM
C[C@@H](C#N)N(C)S(=O)(=O)c1csc(C(=O)[O-])c1	ZINC001589332141	986198205	/nfs/dbraw/zinc/19/82/05/986198205.db2.gz	ZGTUYZSSOZXJCD-LURJTMIESA-N	-1	0	274.323	0.979	20	30		CCEDRM
C[C@@H](C(=O)N(C)C(C)(C)C(=O)[O-])n1cnc(C#N)n1	ZINC001589336216	986220025	/nfs/dbraw/zinc/22/00/25/986220025.db2.gz	XOBZQJITEWHESQ-ZETCQYMHSA-N	-1	0	265.273	0.032	20	30		CCEDRM
C[C@H](C(=O)N(CC(=O)[O-])c1ccccc1)n1cnc(C#N)n1	ZINC001589341669	986254493	/nfs/dbraw/zinc/25/44/93/986254493.db2.gz	LEAUQUUHJVORIR-SNVBAGLBSA-N	-1	0	299.290	0.829	20	30		CCEDRM
C[C@H]1CN(c2ccc(C(=O)[O-])nc2C#N)C[C@@H](CO)O1	ZINC001594569799	986383651	/nfs/dbraw/zinc/38/36/51/986383651.db2.gz	QXDNRHZQAGRADJ-IUCAKERBSA-N	-1	0	277.280	0.237	20	30		CCEDRM
C[C@H](C(=O)N[C@@H](CC1CC1)C(=O)[O-])n1cnc(C#N)n1	ZINC001589385947	986482183	/nfs/dbraw/zinc/48/21/83/986482183.db2.gz	QBCPSGRPUZLGQO-APPZFPTMSA-N	-1	0	277.284	0.080	20	30		CCEDRM
CCC(=O)N1CCC[C@@H](C(=O)N(CC#N)CCC(=O)[O-])C1	ZINC001594700674	987135886	/nfs/dbraw/zinc/13/58/86/987135886.db2.gz	ZEMWSWDUVFJANR-LLVKDONJSA-N	-1	0	295.339	0.462	20	30		CCEDRM
CC[C@@H](C#N)N(CC)C(=O)Cn1ccc(C(=O)[O-])n1	ZINC001594724668	987221740	/nfs/dbraw/zinc/22/17/40/987221740.db2.gz	ACDNWESYCWWLFH-VIFPVBQESA-N	-1	0	264.285	0.732	20	30		CCEDRM
CC(C)(C#N)CC(=O)N1CC[C@H](n2cc(C(=O)[O-])nn2)C1	ZINC001589554185	987298800	/nfs/dbraw/zinc/29/88/00/987298800.db2.gz	WYOCBOUYAFBYAB-VIFPVBQESA-N	-1	0	291.311	0.690	20	30		CCEDRM
CC(C)(C(=O)[O-])n1cc(NC(=O)N2CC(C#N)C2)cn1	ZINC001589673903	987680392	/nfs/dbraw/zinc/68/03/92/987680392.db2.gz	YRLFVDHIAQNMGV-UHFFFAOYSA-N	-1	0	277.284	0.690	20	30		CCEDRM
CSCCNC(=S)NN=CC[C@@H](C)C(=O)[O-]	ZINC001599800775	988172253	/nfs/dbraw/zinc/17/22/53/988172253.db2.gz	IXRJTTWQWQBDJM-SSDOTTSWSA-N	-1	0	263.388	0.910	20	30		CCEDRM
C[C@@H](C#N)NS(=O)(=O)c1cccc(F)c1C(=O)[O-]	ZINC001599830298	988662688	/nfs/dbraw/zinc/66/26/88/988662688.db2.gz	MTBGXSGIFJZQJL-LURJTMIESA-N	-1	0	272.257	0.714	20	30		CCEDRM
C[C@@H]1CN(S(=O)(=O)CC(C)(C)C#N)C[C@@H](C(=O)[O-])O1	ZINC001599867757	989298610	/nfs/dbraw/zinc/29/86/10/989298610.db2.gz	ORSAXCGULBYVTI-BDAKNGLRSA-N	-1	0	290.341	0.040	20	30		CCEDRM
C[C@@H]1CN(c2nnc([C@@H]3C[C@@H]3C#N)n2C)C[C@H]1CC(=O)[O-]	ZINC001599870558	989343524	/nfs/dbraw/zinc/34/35/24/989343524.db2.gz	UVDRYGQMTKWIAK-GWOFURMSSA-N	-1	0	289.339	0.989	20	30		CCEDRM
CN(C(=O)Cn1cc(C(=O)[O-])nn1)[C@H]1CCC[C@@H]1C#N	ZINC001598041806	990277379	/nfs/dbraw/zinc/27/73/79/990277379.db2.gz	ZNAJVIMKUQWOKG-SCZZXKLOSA-N	-1	0	277.284	0.127	20	30		CCEDRM
CC(C)(CS(=O)(=O)N1CCC[C@H](C#N)C1)C(=O)[O-]	ZINC001590788985	990611063	/nfs/dbraw/zinc/61/10/63/990611063.db2.gz	LRODTHCBANFTFU-SECBINFHSA-N	-1	0	274.342	0.663	20	30		CCEDRM
CN(C)Cc1ccc(C(=O)N(CC#N)CC(=O)[O-])o1	ZINC001598248569	991022293	/nfs/dbraw/zinc/02/22/93/991022293.db2.gz	DZUUIRQFEBCMMT-UHFFFAOYSA-N	-1	0	265.269	0.392	20	30		CCEDRM
CN(C1(C#N)CCC1)S(=O)(=O)c1cncc(C(=O)[O-])c1	ZINC001598365176	991514793	/nfs/dbraw/zinc/51/47/93/991514793.db2.gz	ZKRBNJOZWVTXSA-UHFFFAOYSA-N	-1	0	295.320	0.847	20	30		CCEDRM
CN(CCc1cccc(C#N)c1)CC(=O)NCC(=O)[O-]	ZINC001598500098	992423464	/nfs/dbraw/zinc/42/34/64/992423464.db2.gz	FDLBTECQIAHANM-UHFFFAOYSA-N	-1	0	275.308	0.233	20	30		CCEDRM
CN1C[C@@H](OC(=O)c2ccc(C#N)s2)C[C@H]1C(=O)[O-]	ZINC001598575590	993269299	/nfs/dbraw/zinc/26/92/99/993269299.db2.gz	OZDLFOVGXLKOEX-CBAPKCEASA-N	-1	0	280.305	0.934	20	30		CCEDRM
CNC(=S)N(C)N=Cc1ccc(C(=O)[O-])cn1	ZINC001598661759	994607679	/nfs/dbraw/zinc/60/76/79/994607679.db2.gz	MQHVRNWHSPZSQK-UHFFFAOYSA-N	-1	0	252.299	0.550	20	30		CCEDRM
COc1cccc(O)c1C(=O)N(CC#N)CCC(=O)[O-]	ZINC001599680555	994973907	/nfs/dbraw/zinc/97/39/07/994973907.db2.gz	XPPIBLZWBAVILR-UHFFFAOYSA-N	-1	0	278.264	0.841	20	30		CCEDRM
COc1cccc(OCC(=O)N(CC#N)CCC(=O)[O-])c1	ZINC001599682291	995002643	/nfs/dbraw/zinc/00/26/43/995002643.db2.gz	XEPAROWKHYGRDE-UHFFFAOYSA-N	-1	0	292.291	0.901	20	30		CCEDRM
COC(=O)[C@H](CCC(=O)[O-])N1CC[C@@](F)(C#N)C1	ZINC001598696977	995155358	/nfs/dbraw/zinc/15/53/58/995155358.db2.gz	COQJEQFIZMRAQS-GZMMTYOYSA-N	-1	0	258.249	0.330	20	30		CCEDRM
COC(=O)[C@@H](CCC(=O)[O-])N1CC[C@](F)(C#N)C1	ZINC001598696990	995155585	/nfs/dbraw/zinc/15/55/85/995155585.db2.gz	COQJEQFIZMRAQS-KCJUWKMLSA-N	-1	0	258.249	0.330	20	30		CCEDRM
COC(=O)[C@@H]1C[C@@H](C(=O)[O-])CCN1C(=O)C#CC(C)(C)C	ZINC001598746059	995595035	/nfs/dbraw/zinc/59/50/35/995595035.db2.gz	WTWHXAWDYYMIHG-QWRGUYRKSA-N	-1	0	295.335	0.901	20	30		CCEDRM
COC(=O)[C@@H]1CC[C@H](C(=O)[O-])CN1CCO[C@H](C)C#N	ZINC001598779012	995962374	/nfs/dbraw/zinc/96/23/74/995962374.db2.gz	PULQNBLEIJNKNU-VWYCJHECSA-N	-1	0	284.312	0.253	20	30		CCEDRM
COC(=O)[C@@H]1CN(Cc2ccncc2C#N)C[C@@H]1C(=O)[O-]	ZINC001598826493	996388447	/nfs/dbraw/zinc/38/84/47/996388447.db2.gz	HZOHMXNNVRWXOS-NWDGAFQWSA-N	-1	0	289.291	0.259	20	30		CCEDRM
CC1(C(N)=O)CN([C@H](C(=O)[O-])c2ccc(C#N)cc2)C1	ZINC001593815342	996549237	/nfs/dbraw/zinc/54/92/37/996549237.db2.gz	IZXPTAFIUJGIEN-NSHDSACASA-N	-1	0	273.292	0.491	20	30		CCEDRM
CO[C@@]1(C(=O)[O-])CCN(C[C@@H](C#N)CCC#N)C1	ZINC001599076975	996892812	/nfs/dbraw/zinc/89/28/12/996892812.db2.gz	CGUFGLQRMLOOIS-PWSUYJOCSA-N	-1	0	251.286	0.605	20	30		CCEDRM
COCC[C@](C)(C#N)NC(=O)c1cncc(C(=O)[O-])c1	ZINC001599207518	997437225	/nfs/dbraw/zinc/43/72/25/997437225.db2.gz	NNITXJLROPXETM-CYBMUJFWSA-N	-1	0	277.280	0.828	20	30		CCEDRM
CON=CC(=O)N[C@@H](CC(=O)[O-])c1ccc(OC)cc1	ZINC001599319995	997564598	/nfs/dbraw/zinc/56/45/98/997564598.db2.gz	KBWJPMYAORIDIY-NSHDSACASA-N	-1	0	280.280	0.959	20	30		CCEDRM
CO[C@H]1CCN(C(=O)C#CC2CC2)[C@@H](C(=O)[O-])C1	ZINC001599116675	997666501	/nfs/dbraw/zinc/66/65/01/997666501.db2.gz	KEBMPODGMICXFP-WDEREUQCSA-N	-1	0	251.282	0.490	20	30		CCEDRM
CO[C@@H]1CN(C(=O)c2ccc(C#N)nc2)[C@@](C)(C(=O)[O-])C1	ZINC001599130703	997937484	/nfs/dbraw/zinc/93/74/84/997937484.db2.gz	PYIOMVUISQSMER-SMDDNHRTSA-N	-1	0	289.291	0.657	20	30		CCEDRM
COc1cc(OC(=O)COCC(=O)[O-])ccc1C#N	ZINC001599446316	998015166	/nfs/dbraw/zinc/01/51/66/998015166.db2.gz	XZKKHGAIDSWGGR-UHFFFAOYSA-N	-1	0	265.221	0.573	20	30		CCEDRM
COCC#CC(=O)N[C@@H]1CCOC2(CC(C(=O)[O-])C2)C1	ZINC001599138172	998080546	/nfs/dbraw/zinc/08/05/46/998080546.db2.gz	JKCOYJUTSIICHU-IQLKVPPVSA-N	-1	0	281.308	0.165	20	30		CCEDRM
COC[C@H](C#N)OC(=O)c1csc(C(=O)[O-])n1	ZINC001599144138	998182845	/nfs/dbraw/zinc/18/28/45/998182845.db2.gz	WFGOESWUZRKPAH-YFKPBYRVSA-N	-1	0	256.239	0.537	20	30		CCEDRM
COC(=O)c1cnc(CN(CC#N)CCC(=O)[O-])cn1	ZINC001599007817	998870692	/nfs/dbraw/zinc/87/06/92/998870692.db2.gz	WYUGUKZUFKXLTK-UHFFFAOYSA-N	-1	0	278.268	0.063	20	30		CCEDRM
CO[C@@](C)(C(=O)N(CC#N)CCC(=O)[O-])C1CC1	ZINC001599031790	999055551	/nfs/dbraw/zinc/05/55/51/999055551.db2.gz	NQSNDVZOZIBODV-GFCCVEGCSA-N	-1	0	254.286	0.628	20	30		CCEDRM
N#Cc1cccc(S(=O)(=O)N[C@H]2C=C[C@@H](C(=O)[O-])C2)c1	ZINC000092181573	290647126	/nfs/dbraw/zinc/64/71/26/290647126.db2.gz	USLJRUYAAKLFFE-MNOVXSKESA-N	-1	0	292.316	0.866	20	30		CCEDRM
Cn1cnc(S(=O)(=O)NCc2ccc(C#N)cc2F)c1	ZINC000109542102	349754242	/nfs/dbraw/zinc/75/42/42/349754242.db2.gz	QPJUBGXUVMPKPH-UHFFFAOYSA-N	-1	0	294.311	0.909	20	30		CCEDRM
C[C@@H](CC#N)N(C)S(=O)(=O)N(C)[C@H]1C[C@@H](C(=O)[O-])C1	ZINC000600658383	362027389	/nfs/dbraw/zinc/02/73/89/362027389.db2.gz	PXKJXYDSRKJKOE-LPEHRKFASA-N	-1	0	289.357	0.260	20	30		CCEDRM
CN(CC(=O)[O-])S(=O)(=O)c1ccccc1CC#N	ZINC000600941436	362095620	/nfs/dbraw/zinc/09/56/20/362095620.db2.gz	XNPQAZBALKRFMB-UHFFFAOYSA-N	-1	0	268.294	0.458	20	30		CCEDRM
CC(C)[C@H](NS(=O)(=O)c1ccc(C#N)nc1)C(=O)[O-]	ZINC000127103851	187282535	/nfs/dbraw/zinc/28/25/35/187282535.db2.gz	MJIUHKVVOWCEKZ-JTQLQIEISA-N	-1	0	283.309	0.341	20	30		CCEDRM
N#Cc1c[n-][nH]c1=NC(=O)C1(CF)CCOCC1	ZINC000601637856	362336287	/nfs/dbraw/zinc/33/62/87/362336287.db2.gz	YEHVPTABOLCMNP-UHFFFAOYSA-N	-1	0	252.249	0.408	20	30		CCEDRM
C[C@H](Cc1cnn(C)c1)C(=O)N=c1[nH][n-]cc1C#N	ZINC000601636706	362334659	/nfs/dbraw/zinc/33/46/59/362334659.db2.gz	NSGVWTSDCJUDJY-MRVPVSSYSA-N	-1	0	258.285	0.254	20	30		CCEDRM
CN(C(=O)c1cnc([O-])n(C)c1=O)[C@@H]1CCC[C@H]1C#N	ZINC000601817717	362399676	/nfs/dbraw/zinc/39/96/76/362399676.db2.gz	VTLBVRRCVOKMNV-WCBMZHEXSA-N	-1	0	276.296	0.250	20	30		CCEDRM
C[C@H]1CCCN(C(=O)Cn2cc(C#N)c(=O)[n-]c2=O)C1	ZINC000602024609	362463146	/nfs/dbraw/zinc/46/31/46/362463146.db2.gz	CMCIKNMVSMFNCB-VIFPVBQESA-N	-1	0	276.296	0.079	20	30		CCEDRM
C[C@@H]1CCCCN1C(=O)Cn1cc(C#N)c(=O)[n-]c1=O	ZINC000602029876	362464022	/nfs/dbraw/zinc/46/40/22/362464022.db2.gz	KFOJZUCRTLCZML-SECBINFHSA-N	-1	0	276.296	0.222	20	30		CCEDRM
CCC(C)(C)N(C)C(=O)Cn1cc(C#N)c(=O)[n-]c1=O	ZINC000602102217	362489453	/nfs/dbraw/zinc/48/94/53/362489453.db2.gz	LVAFFCFPVOPOCY-UHFFFAOYSA-N	-1	0	278.312	0.468	20	30		CCEDRM
N#Cc1cn(CC(=O)N2CC[C@@H](C3CC3)C2)c(=O)[n-]c1=O	ZINC000602132437	362511569	/nfs/dbraw/zinc/51/15/69/362511569.db2.gz	GTYUMQWAVDXVCN-SNVBAGLBSA-N	-1	0	288.307	0.079	20	30		CCEDRM
C[C@H]1CCN(C(=O)Cn2cc(C#N)c(=O)[n-]c2=O)C[C@@H]1F	ZINC000602147087	362523830	/nfs/dbraw/zinc/52/38/30/362523830.db2.gz	YSPDRJZRKXMIDZ-WPRPVWTQSA-N	-1	0	294.286	0.027	20	30		CCEDRM
Cn1cc(C#N)c(=NC(=O)c2cnn(C3CC3)c2)[n-]1	ZINC000602282191	362574718	/nfs/dbraw/zinc/57/47/18/362574718.db2.gz	MZQYVJJCUMWRON-UHFFFAOYSA-N	-1	0	256.269	0.497	20	30		CCEDRM
CC(C)(C)n1cc(C#N)c(=NC(=O)c2cccnn2)[n-]1	ZINC000602283843	362575135	/nfs/dbraw/zinc/57/51/35/362575135.db2.gz	SAOYTRPHLDDEQA-UHFFFAOYSA-N	-1	0	270.296	0.974	20	30		CCEDRM
C=C[C@@H](CCC(=O)[O-])NS(=O)(=O)c1cnn(CC)c1	ZINC000573683178	334957473	/nfs/dbraw/zinc/95/74/73/334957473.db2.gz	XTPXNFPNVJOHIU-VIFPVBQESA-N	-1	0	287.341	0.601	20	30		CCEDRM
Cc1cc(=NC(=O)c2cnn(C)c2C#N)[n-]nc1C	ZINC000361703345	232199561	/nfs/dbraw/zinc/19/95/61/232199561.db2.gz	RKICZCGBGOHIHO-UHFFFAOYSA-N	-1	0	256.269	0.373	20	30		CCEDRM
C[C@@]1(C(=O)[O-])CCN(S(=O)(=O)c2ccc(C#N)nc2)C1	ZINC000159702881	136840256	/nfs/dbraw/zinc/84/02/56/136840256.db2.gz	POVUQEZJYWKQRQ-GFCCVEGCSA-N	-1	0	295.320	0.439	20	30		CCEDRM
N#Cc1ccc(S(=O)(=O)[N-]c2cncnc2)o1	ZINC000260306821	137006506	/nfs/dbraw/zinc/00/65/06/137006506.db2.gz	WFADCCWZNQQAPP-UHFFFAOYSA-N	-1	0	250.239	0.742	20	30		CCEDRM
Cc1[n-][nH]c(=NC(=O)c2nccn3ccnc23)c1C#N	ZINC000344108154	137177587	/nfs/dbraw/zinc/17/75/87/137177587.db2.gz	MJFVZLPUUQAKMU-UHFFFAOYSA-N	-1	0	267.252	0.307	20	30		CCEDRM
N#Cc1cccc(CCNC(=O)[C@@H]2CC[C@H](C(=O)[O-])O2)c1	ZINC000344542693	137200493	/nfs/dbraw/zinc/20/04/93/137200493.db2.gz	CFTNAWIRAQVCOC-QWHCGFSZSA-N	-1	0	288.303	0.849	20	30		CCEDRM
C[C@@H](Oc1ccc(C#N)cc1)C(=O)N(C)CC(=O)[O-]	ZINC000036966333	348175414	/nfs/dbraw/zinc/17/54/14/348175414.db2.gz	IMOAUMCAHFFDJP-SECBINFHSA-N	-1	0	262.265	0.869	20	30		CCEDRM
C=C(C)CN(CC)S(=O)(=O)N1CCC(C(=O)[O-])CC1	ZINC000037656139	348197575	/nfs/dbraw/zinc/19/75/75/348197575.db2.gz	MLCDAYPIXQCKOX-UHFFFAOYSA-N	-1	0	290.385	0.926	20	30		CCEDRM
COCC[C@@H](C)CNC(=O)N=c1[n-]n(C)cc1C#N	ZINC000602884239	362862926	/nfs/dbraw/zinc/86/29/26/362862926.db2.gz	APVVIUFDRZEVQV-SECBINFHSA-N	-1	0	265.317	0.508	20	30		CCEDRM
Cn1cc(C#N)c(=NC(=O)NC[C@H]2CCOC2(C)C)[n-]1	ZINC000602889181	362866966	/nfs/dbraw/zinc/86/69/66/362866966.db2.gz	XZGYMWZJOFARTM-SNVBAGLBSA-N	-1	0	277.328	0.650	20	30		CCEDRM
Cc1cc(C)c(C#N)c(N2CCO[C@@H](C(=O)[O-])C2)n1	ZINC000043703218	348313498	/nfs/dbraw/zinc/31/34/98/348313498.db2.gz	DLSBYFYOXPNTEJ-LLVKDONJSA-N	-1	0	261.281	0.860	20	30		CCEDRM
CC(C)(C)CC(=O)NCC(=O)Nc1nc(C#N)c(C#N)[n-]1	ZINC000053799837	348533934	/nfs/dbraw/zinc/53/39/34/348533934.db2.gz	YJNSJJREESYCLB-UHFFFAOYSA-N	-1	0	288.311	0.644	20	30		CCEDRM
C[C@H](NS(=O)(=O)c1cc(C#N)ccc1Cl)C(=O)[O-]	ZINC000130612791	350242469	/nfs/dbraw/zinc/24/24/69/350242469.db2.gz	NFYIKFSYUFIEEL-LURJTMIESA-N	-1	0	288.712	0.963	20	30		CCEDRM
COC[C@@H](NS(=O)(=O)Cc1cccc(C#N)c1)C(=O)[O-]	ZINC000158589163	350660586	/nfs/dbraw/zinc/66/05/86/350660586.db2.gz	ALMAVZABMLOKBY-LLVKDONJSA-N	-1	0	298.320	0.077	20	30		CCEDRM
CCn1nccc1C(=O)Nc1nc(C#N)c(C#N)[n-]1	ZINC000162036225	350734399	/nfs/dbraw/zinc/73/43/99/350734399.db2.gz	NVERGNUEWDZGJG-UHFFFAOYSA-N	-1	0	255.241	0.622	20	30		CCEDRM
Cc1nc(S(=O)(=O)[N-]c2nn(C)cc2C#N)c[nH]1	ZINC000123403666	187090085	/nfs/dbraw/zinc/09/00/85/187090085.db2.gz	DXOXTZFODCMQPF-UHFFFAOYSA-N	-1	0	266.286	0.124	20	30		CCEDRM
N#Cc1ccc(S(=O)(=O)N(CC(=O)[O-])CC2CC2)cn1	ZINC000228697215	352080928	/nfs/dbraw/zinc/08/09/28/352080928.db2.gz	GROLWBRATIXYTM-UHFFFAOYSA-N	-1	0	295.320	0.439	20	30		CCEDRM
N#Cc1ncccc1S(=O)(=O)N[C@@H]1CCCC[C@@H]1CO	ZINC000236505577	352195870	/nfs/dbraw/zinc/19/58/70/352195870.db2.gz	IENTYGNZTMNIJE-GHMZBOCLSA-N	-1	0	295.364	0.783	20	30		CCEDRM
COCC1(S(=O)(=O)[N-]c2ccn(CCC#N)n2)CC1	ZINC000603416823	363120722	/nfs/dbraw/zinc/12/07/22/363120722.db2.gz	ARJMDTMTTHXJCX-UHFFFAOYSA-N	-1	0	284.341	0.717	20	30		CCEDRM
C#CCCNC(=O)c1ccccc1[N-]S(C)(=O)=O	ZINC000264963841	352611310	/nfs/dbraw/zinc/61/13/10/352611310.db2.gz	OGNAUVVQNKLUIJ-UHFFFAOYSA-N	-1	0	266.322	0.811	20	30		CCEDRM
CCC(=O)C[C@H](NS(=O)(=O)CCCCC#N)C(=O)[O-]	ZINC000274971635	353176494	/nfs/dbraw/zinc/17/64/94/353176494.db2.gz	ITGLFBRBBWPETG-JTQLQIEISA-N	-1	0	290.341	0.422	20	30		CCEDRM
CC#CC[C@@H](NS(=O)(=O)CC1CCCC1)C(=O)[O-]	ZINC000275040063	353181014	/nfs/dbraw/zinc/18/10/14/353181014.db2.gz	QYULCQYQZIGWQQ-LLVKDONJSA-N	-1	0	273.354	0.963	20	30		CCEDRM
C=CCCS(=O)(=O)N[C@@H](CC(F)F)C(=O)[O-]	ZINC000275263385	353200150	/nfs/dbraw/zinc/20/01/50/353200150.db2.gz	MNLKVWLEVMRTOK-LURJTMIESA-N	-1	0	257.258	0.590	20	30		CCEDRM
C#CCCNC(=O)C(C)(C)[N-]C(=O)C(F)(F)F	ZINC000276953831	353213117	/nfs/dbraw/zinc/21/31/17/353213117.db2.gz	CJHKCYNSNQQJQV-UHFFFAOYSA-N	-1	0	250.220	0.583	20	30		CCEDRM
CC#CCNC(=O)c1ccccc1[N-]S(C)(=O)=O	ZINC000154518765	188148211	/nfs/dbraw/zinc/14/82/11/188148211.db2.gz	FGJXLIHCJMOFNN-UHFFFAOYSA-N	-1	0	266.322	0.811	20	30		CCEDRM
CC(C)(C)[C@@H](NS(=O)(=O)c1ccc(C#N)nc1)C(=O)[O-]	ZINC000159636115	188435441	/nfs/dbraw/zinc/43/54/41/188435441.db2.gz	VABUNYLEAJBFPK-JTQLQIEISA-N	-1	0	297.336	0.731	20	30		CCEDRM
CC[C@@H](NS(=O)(=O)c1ccc(C#N)o1)C(=O)[O-]	ZINC000287195572	353631445	/nfs/dbraw/zinc/63/14/45/353631445.db2.gz	LGZXNOQWFGSPLL-SSDOTTSWSA-N	-1	0	258.255	0.293	20	30		CCEDRM
C[C@H]1CCN(S(=O)(=O)c2ccc(C#N)nc2)[C@H]1C(=O)[O-]	ZINC000299900388	354055722	/nfs/dbraw/zinc/05/57/22/354055722.db2.gz	SSYPJUVFFAZQIU-GZMMTYOYSA-N	-1	0	295.320	0.437	20	30		CCEDRM
N#Cc1cccc(C#N)c1NCCCc1nc(=O)[n-][nH]1	ZINC000302904801	354092078	/nfs/dbraw/zinc/09/20/78/354092078.db2.gz	VHXGVYYVPYNSEB-UHFFFAOYSA-N	-1	0	268.280	0.886	20	30		CCEDRM
C[C@@H]1CN(C(=O)N=c2[n-]n(C)cc2C#N)C[C@@H](C2CC2)O1	ZINC000619320234	366235736	/nfs/dbraw/zinc/23/57/36/366235736.db2.gz	VDYJNPLXLQKXSJ-SKDRFNHKSA-N	-1	0	289.339	0.745	20	30		CCEDRM
N#Cc1ccc(S(=O)(=O)N[C@@H](C(=O)[O-])C2CCC2)o1	ZINC000558475688	291057538	/nfs/dbraw/zinc/05/75/38/291057538.db2.gz	UTNQVZPDXVMIHW-SNVBAGLBSA-N	-1	0	284.293	0.683	20	30		CCEDRM
Cc1ncc(S(=O)(=O)[N-]c2cncnc2)cc1C#N	ZINC000336818169	355192096	/nfs/dbraw/zinc/19/20/96/355192096.db2.gz	UJLOQIJEICZVOS-UHFFFAOYSA-N	-1	0	275.293	0.853	20	30		CCEDRM
COc1cc(C#N)ccc1S(=O)(=O)NCCC(=O)[O-]	ZINC000362000498	138041561	/nfs/dbraw/zinc/04/15/61/138041561.db2.gz	MAPFUCSULCYMIZ-UHFFFAOYSA-N	-1	0	284.293	0.320	20	30		CCEDRM
Cc1cc([N-]S(=O)(=O)c2ccn(C)n2)n(CCC#N)n1	ZINC000608926749	363467549	/nfs/dbraw/zinc/46/75/49/363467549.db2.gz	SXORZTRVUBSHQU-UHFFFAOYSA-N	-1	0	294.340	0.640	20	30		CCEDRM
CN(CCC(=O)[O-])S(=O)(=O)c1cccc(CC#N)c1	ZINC000619471094	366264178	/nfs/dbraw/zinc/26/41/78/366264178.db2.gz	TYYPMQAMXJBNBB-UHFFFAOYSA-N	-1	0	282.321	0.848	20	30		CCEDRM
CO[C@@H](C)CS(=O)(=O)[N-]c1n[nH]c(C2CC2)c1C#N	ZINC000295953994	199732069	/nfs/dbraw/zinc/73/20/69/199732069.db2.gz	MECXRHCGFGZPEX-ZETCQYMHSA-N	-1	0	284.341	0.935	20	30		CCEDRM
C[C@H](NS(=O)(=O)c1ccc(C#N)o1)[C@H](C)C(=O)[O-]	ZINC000560481738	291104426	/nfs/dbraw/zinc/10/44/26/291104426.db2.gz	SQGULSKWKHVNTN-BQBZGAKWSA-N	-1	0	272.282	0.539	20	30		CCEDRM
CC(=O)N1CCC[C@H](C(=O)Nc2nc(C#N)c(C#N)[n-]2)C1	ZINC000355021131	356552077	/nfs/dbraw/zinc/55/20/77/356552077.db2.gz	SBZJLYIQWNTDAQ-VIFPVBQESA-N	-1	0	286.295	0.350	20	30		CCEDRM
C[C@@H](C(=O)N=c1[nH][n-]c(C2CC2)c1C#N)n1cnc(C#N)n1	ZINC000359724911	356880182	/nfs/dbraw/zinc/88/01/82/356880182.db2.gz	OJGYBUWGBXENQQ-ZETCQYMHSA-N	-1	0	296.294	0.244	20	30		CCEDRM
COCCCN(C)C(=O)N=c1[n-]n(C)cc1C#N	ZINC000610527803	363572931	/nfs/dbraw/zinc/57/29/31/363572931.db2.gz	KHRDJYSZVYFGMF-UHFFFAOYSA-N	-1	0	251.290	0.214	20	30		CCEDRM
Cn1cc(C#N)c(=NC(=O)NCC2CCOCC2)[n-]1	ZINC000610561008	363576991	/nfs/dbraw/zinc/57/69/91/363576991.db2.gz	CIVUUTSYZZCQJF-UHFFFAOYSA-N	-1	0	263.301	0.262	20	30		CCEDRM
C[C@]1(C(=O)[O-])CCCN(S(=O)(=O)CCCC#N)C1	ZINC000368413102	357331986	/nfs/dbraw/zinc/33/19/86/357331986.db2.gz	UTTXCSMXSJNDLK-NSHDSACASA-N	-1	0	274.342	0.807	20	30		CCEDRM
N#Cc1c(C2CC2)[n-][nH]c1=NC(=O)[C@@H]1[C@@H]2CCCO[C@H]12	ZINC000377107726	357539185	/nfs/dbraw/zinc/53/91/85/357539185.db2.gz	ZULXFTDUTCLEGM-XRNSZHNASA-N	-1	0	272.308	0.944	20	30		CCEDRM
Cc1[n-][nH]c(=NC(=O)[C@@H]2CCCc3nn(C)cc32)c1C#N	ZINC000377269259	357559753	/nfs/dbraw/zinc/55/97/53/357559753.db2.gz	DZZMEKQFISNOTN-SECBINFHSA-N	-1	0	284.323	0.804	20	30		CCEDRM
N#CCC1CCN(S(=O)(=O)c2ncc[n-]2)CC1	ZINC000397180560	357770579	/nfs/dbraw/zinc/77/05/79/357770579.db2.gz	JABDSDKTHDSOIX-UHFFFAOYSA-N	-1	0	254.315	0.724	20	30		CCEDRM
CCOC(=O)[C@@H](C)CNC(=O)N=c1[n-]n(C)cc1C#N	ZINC000610634396	363588899	/nfs/dbraw/zinc/58/88/99/363588899.db2.gz	JZMAPZLQTOGJCF-QMMMGPOBSA-N	-1	0	279.300	0.034	20	30		CCEDRM
C[C@@H]1C[C@H](C(=O)N=c2[nH][n-]c(C3CC3)c2C#N)CO1	ZINC000408174572	357953765	/nfs/dbraw/zinc/95/37/65/357953765.db2.gz	SDDUXYJLCGIVCZ-APPZFPTMSA-N	-1	0	260.297	0.944	20	30		CCEDRM
Cn1cc(C#N)c(=NC(=O)N2CC[C@]3(CCOC3)C2)[n-]1	ZINC000610698474	363600566	/nfs/dbraw/zinc/60/05/66/363600566.db2.gz	HSKHDSJCZZQDCE-ZDUSSCGKSA-N	-1	0	275.312	0.358	20	30		CCEDRM
C#C[C@H](NC(=O)N=c1nc2n([n-]1)CCCC2)C(C)C	ZINC000491338264	358293372	/nfs/dbraw/zinc/29/33/72/358293372.db2.gz	HKIFCDANWJBXOH-JTQLQIEISA-N	-1	0	261.329	0.816	20	30		CCEDRM
C=C[C@@H](CCC(=O)[O-])NS(=O)(=O)N1CCC[C@H](C)C1	ZINC000516627605	358340537	/nfs/dbraw/zinc/34/05/37/358340537.db2.gz	NMZATWCODDEGLE-QWRGUYRKSA-N	-1	0	290.385	0.972	20	30		CCEDRM
C[C@H](C[C@H]1CCOC1)NC(=O)N=c1[n-]n(C)cc1C#N	ZINC000610744167	363606716	/nfs/dbraw/zinc/60/67/16/363606716.db2.gz	CUMSXKDMBFBJSM-NXEZZACHSA-N	-1	0	277.328	0.650	20	30		CCEDRM
CC#CCCNC(=O)c1c[nH]c2nc(=O)[n-]c(=O)c-2c1	ZINC000544580647	358548517	/nfs/dbraw/zinc/54/85/17/358548517.db2.gz	CIYLHLIBQYOTCZ-UHFFFAOYSA-N	-1	0	272.264	0.579	20	30		CCEDRM
Cn1cc(C#N)c(=NC(=O)N[C@@H]2CCC[C@@H]3OCC[C@@H]32)[n-]1	ZINC000610767525	363611863	/nfs/dbraw/zinc/61/18/63/363611863.db2.gz	XWLJYIKZFCDADO-UTUOFQBUSA-N	-1	0	289.339	0.793	20	30		CCEDRM
N#Cc1c(C2CC2)[n-][nH]c1=NC(=O)[C@H]1CCC(=O)NC1	ZINC000588770131	359336350	/nfs/dbraw/zinc/33/63/50/359336350.db2.gz	YPWBZHGGYBIUCB-QMMMGPOBSA-N	-1	0	273.296	0.045	20	30		CCEDRM
N#Cc1ccc(Cn2[n-]c(=O)c3nccnc3c2=O)cc1	ZINC000589954413	359414118	/nfs/dbraw/zinc/41/41/18/359414118.db2.gz	GKVVZVOJVMJCDQ-UHFFFAOYSA-N	-1	0	279.259	0.812	20	30		CCEDRM
C=CC[C@H](CO)CNC(=O)NC[C@@H](C(=O)[O-])C(C)C	ZINC000655894890	412684160	/nfs/dbraw/zinc/68/41/60/412684160.db2.gz	OCSCDGAGFMNJQX-WDEREUQCSA-N	-1	0	272.345	0.827	20	30		CCEDRM
Cn1ccnc1-c1cc(=NC(=O)c2cccc(C#N)n2)[nH][n-]1	ZINC000589455617	359383159	/nfs/dbraw/zinc/38/31/59/359383159.db2.gz	SJYGUKDQGWMGGJ-UHFFFAOYSA-N	-1	0	293.290	0.751	20	30		CCEDRM
CC[C@@H](NC(=O)N=c1[n-]n(C)cc1C#N)C(F)F	ZINC000590819887	359526719	/nfs/dbraw/zinc/52/67/19/359526719.db2.gz	ZGTAYCFPIBDUIG-SSDOTTSWSA-N	-1	0	257.244	0.879	20	30		CCEDRM
C=C(CC)CNC(=O)N=c1ccc(C(=O)OC)n[n-]1	ZINC000590833956	359528675	/nfs/dbraw/zinc/52/86/75/359528675.db2.gz	BHSQTLFFNFSEJA-UHFFFAOYSA-N	-1	0	264.285	0.773	20	30		CCEDRM
CC[C@H](NC(=O)N=c1[n-]n(C)cc1C#N)[C@@H](O)C(C)C	ZINC000591338188	359579402	/nfs/dbraw/zinc/57/94/02/359579402.db2.gz	UPUZRFYGDHSWLE-QWRGUYRKSA-N	-1	0	279.344	0.631	20	30		CCEDRM
COC1([C@@H](C)NC(=O)N=c2[n-]n(C)cc2C#N)CCC1	ZINC000591338108	359579879	/nfs/dbraw/zinc/57/98/79/359579879.db2.gz	GIOCAOYTDYPSNH-SECBINFHSA-N	-1	0	277.328	0.793	20	30		CCEDRM
CC#CC[C@@H](CO)N=c1[n-]c(C(=O)OCC)co1	ZINC000591999636	359724220	/nfs/dbraw/zinc/72/42/20/359724220.db2.gz	OWDPZUPDAOFYOH-VIFPVBQESA-N	-1	0	252.270	0.459	20	30		CCEDRM
CO[C@H](C)c1nc(Cn2c(=O)[n-]cc(C#N)c2=O)cs1	ZINC000592354427	359822937	/nfs/dbraw/zinc/82/29/37/359822937.db2.gz	ZLTHDFZIOVDVKS-SSDOTTSWSA-N	-1	0	292.320	0.620	20	30		CCEDRM
CO[C@@H](CS(=O)(=O)[N-]c1n[nH]cc1C#N)C(C)C	ZINC000592382131	359828968	/nfs/dbraw/zinc/82/89/68/359828968.db2.gz	JKMVXLBDXGZVMG-VIFPVBQESA-N	-1	0	272.330	0.694	20	30		CCEDRM
N#Cc1cccc(S(=O)(=O)[N-]c2cc(C(N)=O)n[nH]2)c1	ZINC000611164897	363668196	/nfs/dbraw/zinc/66/81/96/363668196.db2.gz	USNOKPNXMMOBHX-UHFFFAOYSA-N	-1	0	291.292	0.181	20	30		CCEDRM
CCc1nnsc1C(=O)N=c1[n-]n(C)c(C)c1C#N	ZINC000592647112	359908502	/nfs/dbraw/zinc/90/85/02/359908502.db2.gz	PTKSHNRHGFZAAY-UHFFFAOYSA-N	-1	0	276.325	0.688	20	30		CCEDRM
Cc1c(C#N)c(=NC(=O)c2cnn(CCF)c2)[n-]n1C	ZINC000592651790	359909642	/nfs/dbraw/zinc/90/96/42/359909642.db2.gz	VOGILJTVWOMGDO-UHFFFAOYSA-N	-1	0	276.275	0.440	20	30		CCEDRM
Cc1c(C#N)c(=NC(=O)c2ccn(C(F)F)n2)[n-]n1C	ZINC000592655912	359910262	/nfs/dbraw/zinc/91/02/62/359910262.db2.gz	ZDVNNSBXXPRFBH-UHFFFAOYSA-N	-1	0	280.238	0.866	20	30		CCEDRM
N#CC[C@]1(O)CCN(C(=O)c2ccc([N+](=O)[O-])c([O-])c2)C1	ZINC000592841140	359950096	/nfs/dbraw/zinc/95/00/96/359950096.db2.gz	YGZVAKVKRAYWIL-ZDUSSCGKSA-N	-1	0	291.263	0.791	20	30		CCEDRM
N#CC[C@@]1(O)CCN(C(=O)c2ccc([N+](=O)[O-])c([O-])c2)C1	ZINC000592841131	359950450	/nfs/dbraw/zinc/95/04/50/359950450.db2.gz	YGZVAKVKRAYWIL-CYBMUJFWSA-N	-1	0	291.263	0.791	20	30		CCEDRM
C[C@@H]1CC[C@H](C(=O)[O-])N1S(=O)(=O)c1ccc(C#N)o1	ZINC000593222923	360052578	/nfs/dbraw/zinc/05/25/78/360052578.db2.gz	ZFHVEUCEKFUKGH-VXNVDRBHSA-N	-1	0	284.293	0.777	20	30		CCEDRM
C[C@@H]1CC[C@H](C(=O)[O-])N1S(=O)(=O)N(C)CCC#N	ZINC000593218990	360052864	/nfs/dbraw/zinc/05/28/64/360052864.db2.gz	ZFDHWVZGZYXGCF-RKDXNWHRSA-N	-1	0	275.330	0.014	20	30		CCEDRM
C[C@@H](CNS(=O)(=O)c1ccsc1C#N)C(=O)[O-]	ZINC000593254871	360056599	/nfs/dbraw/zinc/05/65/99/360056599.db2.gz	TWFSNWRZKQINQH-LURJTMIESA-N	-1	0	274.323	0.619	20	30		CCEDRM
CC[C@@H](C#N)C(=O)N1CCC[C@@H](c2n[nH]c(=O)[n-]2)C1	ZINC000593688064	360136526	/nfs/dbraw/zinc/13/65/26/360136526.db2.gz	HMYKLHKKNYPFJD-DTWKUNHWSA-N	-1	0	263.301	0.766	20	30		CCEDRM
N#Cc1cc(F)c(S(=O)(=O)[N-]C2(CO)CC2)c(F)c1	ZINC000611407927	363714991	/nfs/dbraw/zinc/71/49/91/363714991.db2.gz	OVIYYFAQMAWVIU-UHFFFAOYSA-N	-1	0	288.275	0.640	20	30		CCEDRM
N#CCCCS(=O)(=O)N1CCC[C@@H]1CCC(=O)[O-]	ZINC000594571202	360331721	/nfs/dbraw/zinc/33/17/21/360331721.db2.gz	SBYISIQHVXRVHP-SNVBAGLBSA-N	-1	0	274.342	0.949	20	30		CCEDRM
C[C@H](NC(=O)N=c1[n-]n(C)cc1C#N)[C@H]1CCCCO1	ZINC000611481071	363720365	/nfs/dbraw/zinc/72/03/65/363720365.db2.gz	VZXOUPMFXQWHCT-GXSJLCMTSA-N	-1	0	277.328	0.793	20	30		CCEDRM
N#CC1(c2ccc(C(=O)NCc3nnn[n-]3)cc2)CC1	ZINC000611478140	363720948	/nfs/dbraw/zinc/72/09/48/363720948.db2.gz	SOXHAHLVNXWCEC-UHFFFAOYSA-N	-1	0	268.280	0.685	20	30		CCEDRM
CC(=O)NCCN(C(=O)CCCCC#N)[C@H](C)C(=O)[O-]	ZINC000594458385	360318296	/nfs/dbraw/zinc/31/82/96/360318296.db2.gz	WSDMZCQGNNTAME-SNVBAGLBSA-N	-1	0	283.328	0.508	20	30		CCEDRM
N#Cc1nc(NC(=O)c2ccn(C(F)F)n2)[n-]c1C#N	ZINC000611442200	363717815	/nfs/dbraw/zinc/71/78/15/363717815.db2.gz	NMBMRGAQJAVORG-UHFFFAOYSA-N	-1	0	277.194	0.997	20	30		CCEDRM
CC[C@@H](C#N)S(=O)(=O)[N-]c1cc(F)ccc1C(N)=O	ZINC000594699880	360361815	/nfs/dbraw/zinc/36/18/15/360361815.db2.gz	MSQZPUMYHKGBGL-QMMMGPOBSA-N	-1	0	285.300	0.968	20	30		CCEDRM
CC(C)(CC#N)CNC(=O)C[C@@]1(C(=O)[O-])CCOC1	ZINC000594662384	360357260	/nfs/dbraw/zinc/35/72/60/360357260.db2.gz	YCNAZZAZAPRIRM-ZDUSSCGKSA-N	-1	0	268.313	0.924	20	30		CCEDRM
N#CC1(CNC(=O)N2C[C@@H]3COC[C@]3(C(=O)[O-])C2)CC1	ZINC000595264032	360465552	/nfs/dbraw/zinc/46/55/52/360465552.db2.gz	XNUYASYBIXFYTR-NOZJJQNGSA-N	-1	0	279.296	0.033	20	30		CCEDRM
C[C@@]1(C#N)CCN(C(=O)NCC2(C(=O)[O-])CCOCC2)C1	ZINC000595263084	360465698	/nfs/dbraw/zinc/46/56/98/360465698.db2.gz	NJUCAMKNZUXZOO-ZDUSSCGKSA-N	-1	0	295.339	0.813	20	30		CCEDRM
CO[C@@H](C)CS(=O)(=O)[N-]c1cc(C)c(C#N)cn1	ZINC000563426000	291228196	/nfs/dbraw/zinc/22/81/96/291228196.db2.gz	YVRDPAMROFLKLH-VIFPVBQESA-N	-1	0	269.326	0.460	20	30		CCEDRM
Cc1cc(N[C@@H]2C[C@@H](C(=O)[O-])C[C@H]2O)c(C#N)cn1	ZINC000595977570	360753353	/nfs/dbraw/zinc/75/33/53/360753353.db2.gz	GYYCBTOIEUGQOK-GGZOMVNGSA-N	-1	0	261.281	0.320	20	30		CCEDRM
N#Cc1cc([N+](=O)[O-])cnc1N[C@@H]1C[C@@H](C(=O)[O-])C[C@H]1O	ZINC000595978398	360754498	/nfs/dbraw/zinc/75/44/98/360754498.db2.gz	LNWRTRGYGSKKNQ-BDODKLCJSA-N	-1	0	292.251	0.497	20	30		CCEDRM
N#Cc1cnnc(N2CCC[C@H](c3n[nH]c(=O)[n-]3)C2)c1	ZINC000596227311	360844516	/nfs/dbraw/zinc/84/45/16/360844516.db2.gz	VFPOGEZFYFIYGO-VIFPVBQESA-N	-1	0	271.284	0.556	20	30		CCEDRM
CCN(C(=O)c1cc(S(N)(=O)=O)ccc1[O-])[C@H](C)C#N	ZINC000598349443	361393221	/nfs/dbraw/zinc/39/32/21/361393221.db2.gz	KKBMRDFAIPTNSL-MRVPVSSYSA-N	-1	0	297.336	0.414	20	30		CCEDRM
Cc1[n-][nH]c(=NC(=O)C2(S(C)(=O)=O)CCCC2)c1C#N	ZINC000598699955	361490418	/nfs/dbraw/zinc/49/04/18/361490418.db2.gz	LEEZZRLYHYLEED-UHFFFAOYSA-N	-1	0	296.352	0.308	20	30		CCEDRM
C=C[C@@H](C)[N-]S(=O)(=O)c1cc(C(=O)OC)no1	ZINC000599258899	361624371	/nfs/dbraw/zinc/62/43/71/361624371.db2.gz	RUGDHEXUHZXTPE-ZCFIWIBFSA-N	-1	0	260.271	0.314	20	30		CCEDRM
C=CCC[N-]S(=O)(=O)c1nn(C)cc1[N+](=O)[O-]	ZINC000599338925	361659711	/nfs/dbraw/zinc/65/97/11/361659711.db2.gz	JZYIQMXSUQFRAN-UHFFFAOYSA-N	-1	0	260.275	0.183	20	30		CCEDRM
C=CCCCCCNC(=O)C(=O)N1CCO[C@@H](C(=O)[O-])C1	ZINC000655997460	412727486	/nfs/dbraw/zinc/72/74/86/412727486.db2.gz	IAYDUFONWCZOCR-LLVKDONJSA-N	-1	0	298.339	0.161	20	30		CCEDRM
C[C@@H]1OCC[C@@]1(C)NC(=O)N=c1[n-]n(C)cc1C#N	ZINC000612313486	363883340	/nfs/dbraw/zinc/88/33/40/363883340.db2.gz	KFSAADBCZPMZKD-QPUJVOFHSA-N	-1	0	263.301	0.403	20	30		CCEDRM
N#Cc1cc(C(=O)NCc2nnn[n-]2)ccc1Cl	ZINC000613152863	364132274	/nfs/dbraw/zinc/13/22/74/364132274.db2.gz	ZLRSKMRJUOCDIW-UHFFFAOYSA-N	-1	0	262.660	0.655	20	30		CCEDRM
Cn1cc(C#N)c(=NC(=O)N[C@@H]2CCO[C@H](C3CC3)C2)[n-]1	ZINC000613205028	364157107	/nfs/dbraw/zinc/15/71/07/364157107.db2.gz	LPFDTMKFHOMXAW-NEPJUHHUSA-N	-1	0	289.339	0.793	20	30		CCEDRM
C=CCCCCNC(=O)C(=O)NC[C@@H](C(=O)[O-])C(C)C	ZINC000656010534	412731903	/nfs/dbraw/zinc/73/19/03/412731903.db2.gz	CWDZARNLCMWSMH-LLVKDONJSA-N	-1	0	284.356	0.932	20	30		CCEDRM
C/C=C\C[C@@H](CO)NC(=O)N=c1[n-]n(C)cc1C#N	ZINC000613772728	364367568	/nfs/dbraw/zinc/36/75/68/364367568.db2.gz	HVESFCPDLHXPIO-XOULXFPDSA-N	-1	0	263.301	0.162	20	30		CCEDRM
C=CCCN(C)C(=O)c1cc(S(N)(=O)=O)ccc1[O-]	ZINC000613842345	364404227	/nfs/dbraw/zinc/40/42/27/364404227.db2.gz	JBJBAUSSKVANRX-UHFFFAOYSA-N	-1	0	284.337	0.688	20	30		CCEDRM
CCc1n[n-]c(=NC(=O)N2CC[C@](F)(C#N)C2)s1	ZINC000615521641	364991976	/nfs/dbraw/zinc/99/19/76/364991976.db2.gz	BUXZGWNDJNDPEN-JTQLQIEISA-N	-1	0	269.305	0.992	20	30		CCEDRM
C=C(C)[C@@H]1OCC[C@H]1CNC(=O)N1CC(C(=O)[O-])C1	ZINC000621834276	366882152	/nfs/dbraw/zinc/88/21/52/366882152.db2.gz	FJXRPMCPETXNGK-ONGXEEELSA-N	-1	0	268.313	0.694	20	30		CCEDRM
C=CCN(C)S(=O)(=O)c1csnc1C(=O)[O-]	ZINC000574199621	335000207	/nfs/dbraw/zinc/00/02/07/335000207.db2.gz	ADDMYPIVFZZZJD-UHFFFAOYSA-N	-1	0	262.312	0.648	20	30		CCEDRM
C=CC[C@@H](CO)NS(=O)(=O)c1cc([O-])cc(F)c1	ZINC000632207483	370922404	/nfs/dbraw/zinc/92/24/04/370922404.db2.gz	JCLRJDOKFCOTOY-VIFPVBQESA-N	-1	0	275.301	0.747	20	30		CCEDRM
C=CC(C)(C)CCNC(=O)c1n[nH]c(=O)[n-]c1=O	ZINC000628314511	369239945	/nfs/dbraw/zinc/23/99/45/369239945.db2.gz	COSXWLVRWXNQMQ-UHFFFAOYSA-N	-1	0	252.274	0.615	20	30		CCEDRM
C=C(C)CS(=O)(=O)N[C@H](C[C@H]1CCCOC1)C(=O)[O-]	ZINC000629338556	369635058	/nfs/dbraw/zinc/63/50/58/369635058.db2.gz	PHBDDSPNIPMZNL-GHMZBOCLSA-N	-1	0	291.369	0.752	20	30		CCEDRM
C=CCN(C(=O)C(=O)N1CC[C@H](C(=O)[O-])[C@H](C)C1)C1CC1	ZINC000629776962	369773630	/nfs/dbraw/zinc/77/36/30/369773630.db2.gz	ZPLUORXAOAIWEA-PWSUYJOCSA-N	-1	0	294.351	0.733	20	30		CCEDRM
C=C(C)C[C@@H](NC(=O)[C@@H]1CCCCS1(=O)=O)C(=O)[O-]	ZINC000630320103	370045917	/nfs/dbraw/zinc/04/59/17/370045917.db2.gz	OYYCLEQHALGBMH-ZJUUUORDSA-N	-1	0	289.353	0.489	20	30		CCEDRM
C=C(C)C[C@@H](NC(=O)c1ccc(C(=O)NC)nc1)C(=O)[O-]	ZINC000630320230	370046023	/nfs/dbraw/zinc/04/60/23/370046023.db2.gz	RKQYTOFNJYVFRE-LLVKDONJSA-N	-1	0	291.307	0.590	20	30		CCEDRM
C=C(C)C[C@H](NC(=O)CCn1cccn1)C(=O)[O-]	ZINC000630322726	370046964	/nfs/dbraw/zinc/04/69/64/370046964.db2.gz	VMILDAVKPCGIRH-JTQLQIEISA-N	-1	0	251.286	0.809	20	30		CCEDRM
C=C(C)C[C@H](NC(=O)Cc1ccn(CC)n1)C(=O)[O-]	ZINC000630322735	370046995	/nfs/dbraw/zinc/04/69/95/370046995.db2.gz	VOIPCEPTPAYWRH-NSHDSACASA-N	-1	0	265.313	0.981	20	30		CCEDRM
C=C(C)[C@H]1OCC[C@@H]1CNC(=O)c1cnc(C(=O)[O-])cn1	ZINC000630303451	370037434	/nfs/dbraw/zinc/03/74/34/370037434.db2.gz	XZONAOOQIUIVCV-BXKDBHETSA-N	-1	0	291.307	0.886	20	30		CCEDRM
C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)[C@H]1C[C@@H](C)[C@H](C(=O)[O-])O1	ZINC000630303460	370037778	/nfs/dbraw/zinc/03/77/78/370037778.db2.gz	YEHNVTITSXDGKJ-NJMOYASZSA-N	-1	0	297.351	0.962	20	30		CCEDRM
C=C(C)[C@H]1OCC[C@H]1CNC(=O)c1cc(C(=O)[O-])nn1C	ZINC000630303157	370037901	/nfs/dbraw/zinc/03/79/01/370037901.db2.gz	QMMUTOWVMXYDGV-JOYOIKCWSA-N	-1	0	293.323	0.829	20	30		CCEDRM
C=CCC[C@@H](NC(=O)Cn1ccc(C)cc1=O)C(=O)[O-]	ZINC000630180228	369993009	/nfs/dbraw/zinc/99/30/09/369993009.db2.gz	BGFPFRYGWMIFTA-LLVKDONJSA-N	-1	0	278.308	0.692	20	30		CCEDRM
C=CCC[C@H](NC(=O)c1ccc(=O)n(C)c1)C(=O)[O-]	ZINC000630182967	369993970	/nfs/dbraw/zinc/99/39/70/369993970.db2.gz	QWLJXTSVSXHDCQ-JTQLQIEISA-N	-1	0	264.281	0.535	20	30		CCEDRM
C=CCCCS(=O)(=O)N[C@H](C(=O)[O-])[C@@H]1CCCO1	ZINC000630423882	370109146	/nfs/dbraw/zinc/10/91/46/370109146.db2.gz	SQFBUBUCPYBUTQ-UWVGGRQHSA-N	-1	0	277.342	0.504	20	30		CCEDRM
C=CCn1cc(C(=O)NC[C@]2(C(=O)[O-])CCCOC2)nn1	ZINC000630340195	370050949	/nfs/dbraw/zinc/05/09/49/370050949.db2.gz	ODGJMUSMIQDBQR-CYBMUJFWSA-N	-1	0	294.311	0.075	20	30		CCEDRM
C=C(C)C[C@H](NS(=O)(=O)N(C)CCC)C(=O)[O-]	ZINC000630438633	370117365	/nfs/dbraw/zinc/11/73/65/370117365.db2.gz	UQXVRHVHIPOKSE-VIFPVBQESA-N	-1	0	264.347	0.582	20	30		CCEDRM
C=C(C)CN(CC)C(=O)C(=O)N1CC[C@H](C)[C@@H](C(=O)[O-])C1	ZINC000574400800	335016492	/nfs/dbraw/zinc/01/64/92/335016492.db2.gz	YAVXRMLLQVEZQG-RYUDHWBXSA-N	-1	0	296.367	0.980	20	30		CCEDRM
C=C(C)COCCNC(=O)[C@@H](C)O[C@@H](C)C(=O)[O-]	ZINC000634910003	372290834	/nfs/dbraw/zinc/29/08/34/372290834.db2.gz	RUKNAEJXCYJVJE-ZJUUUORDSA-N	-1	0	259.302	0.574	20	30		CCEDRM
C=CCn1cc(CNC(=O)[C@](C)(CC)CC(=O)[O-])nn1	ZINC000634843928	372269132	/nfs/dbraw/zinc/26/91/32/372269132.db2.gz	ZDORJSBZROYBKI-CYBMUJFWSA-N	-1	0	280.328	0.971	20	30		CCEDRM
C=CC(C)(C)CCNC(=O)NCCOCC(=O)[O-]	ZINC000635521233	372584567	/nfs/dbraw/zinc/58/45/67/372584567.db2.gz	PRMPWBCYHDIXDU-UHFFFAOYSA-N	-1	0	258.318	0.989	20	30		CCEDRM
C=CCOCCCNC(=O)N[C@](C)(COC)C(=O)[O-]	ZINC000656594908	412833403	/nfs/dbraw/zinc/83/34/03/412833403.db2.gz	BAEXGFYTQZKEIB-GFCCVEGCSA-N	-1	0	274.317	0.368	20	30		CCEDRM
C#CCO[N-]C(=O)c1cnc2sc(C)c(C)n2c1=O	ZINC000291186739	388919269	/nfs/dbraw/zinc/91/92/69/388919269.db2.gz	GDQYOONYCJJMBV-UHFFFAOYSA-N	-1	0	277.305	0.667	20	30		CCEDRM
C=CCC1(C(=O)N2CCC[C@@]3(C2)NC(=O)NC3=O)CCC1	ZINC000194998315	389112940	/nfs/dbraw/zinc/11/29/40/389112940.db2.gz	KYKFRAYTBPRXJY-HNNXBMFYSA-N	-1	0	291.351	0.933	20	30		CCEDRM
C=C(C)CNC(=O)C(=O)N=c1ccc(OC(C)C)n[n-]1	ZINC000342277283	389205870	/nfs/dbraw/zinc/20/58/70/389205870.db2.gz	CDKDPNGCCMEIMI-UHFFFAOYSA-N	-1	0	278.312	0.317	20	30		CCEDRM
N#C[C@@H]1CN(C(=O)c2c([O-])cccc2F)CCO1	ZINC000123446487	389156282	/nfs/dbraw/zinc/15/62/82/389156282.db2.gz	RSTUJNYDCCMZRS-MRVPVSSYSA-N	-1	0	250.229	0.896	20	30		CCEDRM
C[C@@H](NS(=O)(=O)c1ccc(F)cc1C#N)C(=O)[O-]	ZINC000340451780	389159139	/nfs/dbraw/zinc/15/91/39/389159139.db2.gz	QGVFCOWFOOEOGK-ZCFIWIBFSA-N	-1	0	272.257	0.449	20	30		CCEDRM
CCCC[C@H](NS(=O)(=O)N(C)CCC#N)C(=O)[O-]	ZINC000359088635	389166935	/nfs/dbraw/zinc/16/69/35/389166935.db2.gz	QFKTXGNXPWWVPW-VIFPVBQESA-N	-1	0	277.346	0.310	20	30		CCEDRM
Cn1cc([N-]S(=O)(=O)c2ccccc2CC#N)nn1	ZINC000359594190	389178487	/nfs/dbraw/zinc/17/84/87/389178487.db2.gz	LNBDCSOCKNDCHP-UHFFFAOYSA-N	-1	0	277.309	0.682	20	30		CCEDRM
C=CCNC(=O)CN=c1nc(C(F)(F)F)[n-]s1	ZINC000342915051	389255242	/nfs/dbraw/zinc/25/52/42/389255242.db2.gz	CYVGJLKFESPZIS-UHFFFAOYSA-N	-1	0	266.248	0.693	20	30		CCEDRM
C[C@H](NS(=O)(=O)CC1(C#N)CC1)c1ccon1	ZINC000361811521	389224773	/nfs/dbraw/zinc/22/47/73/389224773.db2.gz	FECAUIDJOQBQTI-QMMMGPOBSA-N	-1	0	255.299	0.959	20	30		CCEDRM
C=C(C)C(C)(C)C(=O)[N-]S(=O)(=O)[C@@H]1CCOC1	ZINC000408497043	389369718	/nfs/dbraw/zinc/36/97/18/389369718.db2.gz	IGNFWUHDXGBVDT-SECBINFHSA-N	-1	0	261.343	0.824	20	30		CCEDRM
C[C@H](CCC(=O)[O-])NS(=O)(=O)c1ccc(C#N)nc1	ZINC000159657443	389370416	/nfs/dbraw/zinc/37/04/16/389370416.db2.gz	RXQUEJZXOXTRIJ-MRVPVSSYSA-N	-1	0	283.309	0.485	20	30		CCEDRM
N#Cc1cc(F)c(S(=O)(=O)[N-][C@H]2CCOC2)c(F)c1	ZINC000178820418	389624335	/nfs/dbraw/zinc/62/43/35/389624335.db2.gz	YMHJWKJLPDZEMA-QMMMGPOBSA-N	-1	0	288.275	0.904	20	30		CCEDRM
COc1cccc(S([O-])=CC(=O)N[C@@H](C)C#N)c1	ZINC000424620418	389626665	/nfs/dbraw/zinc/62/66/65/389626665.db2.gz	VACXZKNOTYORHJ-YYSFKGJASA-N	-1	0	266.322	0.831	20	30		CCEDRM
C=CCCn1cc(C(=O)N=c2nc(C)[n-]s2)nn1	ZINC000424688729	389629309	/nfs/dbraw/zinc/62/93/09/389629309.db2.gz	KKLPVVYBTBEKOB-UHFFFAOYSA-N	-1	0	264.314	0.688	20	30		CCEDRM
C=CCC1(C(=O)N=c2ccc(O)n[n-]2)CCOCC1	ZINC000425563348	389652743	/nfs/dbraw/zinc/65/27/43/389652743.db2.gz	SMNDSRUGGDMGTI-UHFFFAOYSA-N	-1	0	263.297	0.916	20	30		CCEDRM
N#Cc1cc(F)c(C(=O)NCCc2nc(=O)o[n-]2)c(F)c1	ZINC000392268913	389774801	/nfs/dbraw/zinc/77/48/01/389774801.db2.gz	ZUVCECBVHCOWMB-UHFFFAOYSA-N	-1	0	294.217	0.485	20	30		CCEDRM
CC[C@H](CO)NC(=O)c1cc(C#N)c(SC)[n-]c1=O	ZINC000444775480	389918389	/nfs/dbraw/zinc/91/83/89/389918389.db2.gz	NMZQXVIQUPHGNM-MRVPVSSYSA-N	-1	0	281.337	0.881	20	30		CCEDRM
C[C@H](C#N)NC(=O)c1cc(S(=O)(=O)N(C)C)ccc1[O-]	ZINC000436771727	389984897	/nfs/dbraw/zinc/98/48/97/389984897.db2.gz	YAWINQJEXDPNGF-MRVPVSSYSA-N	-1	0	297.336	0.284	20	30		CCEDRM
Cn1cc(C#N)c([N-]S(=O)(=O)c2cnc3n2CCC3)n1	ZINC000437651528	389995598	/nfs/dbraw/zinc/99/55/98/389995598.db2.gz	DWYRLFWSXRUZEP-UHFFFAOYSA-N	-1	0	292.324	0.235	20	30		CCEDRM
CC#CCS(=O)(=O)[N-]C(=O)/C=C/c1ccn(C)c1	ZINC000493023423	390118775	/nfs/dbraw/zinc/11/87/75/390118775.db2.gz	LPCXBKITPIBRCL-AATRIKPKSA-N	-1	0	266.322	0.508	20	30		CCEDRM
C=CCn1cc(C(=O)N2CC[C@H](C)[C@@H](C(=O)[O-])C2)nn1	ZINC000647747649	390158683	/nfs/dbraw/zinc/15/86/83/390158683.db2.gz	TVMJAFVCBMXEGN-UWVGGRQHSA-N	-1	0	278.312	0.647	20	30		CCEDRM
Cn1cc(C#N)cc1C(=O)N1CCC[C@@H](c2nnn[n-]2)C1	ZINC000540427202	390220110	/nfs/dbraw/zinc/22/01/10/390220110.db2.gz	UFDQYALROXJQLI-SNVBAGLBSA-N	-1	0	285.311	0.430	20	30		CCEDRM
CC#CC[C@@H](NS(=O)(=O)c1ccccc1OC)C(=O)[O-]	ZINC000543788200	390294203	/nfs/dbraw/zinc/29/42/03/390294203.db2.gz	UCFATOXVTQMXRG-SNVBAGLBSA-N	-1	0	297.332	0.840	20	30		CCEDRM
C=C[C@@H]1OCC[C@H]1CNC(=O)C1CC(C(=O)[O-])C1	ZINC000644875085	390335879	/nfs/dbraw/zinc/33/58/79/390335879.db2.gz	JUXBHAKWIHMJEB-PMUOWJKOSA-N	-1	0	253.298	0.805	20	30		CCEDRM
C=CCC[C@@H](NC(=O)C1(C(=O)NC)CCC1)C(=O)[O-]	ZINC000648345010	390359627	/nfs/dbraw/zinc/35/96/27/390359627.db2.gz	CRICPGOGJYUOBB-SECBINFHSA-N	-1	0	268.313	0.438	20	30		CCEDRM
C[C@H]([C@@H](NS(=O)(=O)CCCC#N)C(=O)[O-])C1CC1	ZINC000554676737	390438829	/nfs/dbraw/zinc/43/88/29/390438829.db2.gz	IKSKRFRSUOUPPK-WCBMZHEXSA-N	-1	0	274.342	0.709	20	30		CCEDRM
C=CCCCS(=O)(=O)N1CCO[C@@H](CC(=O)[O-])C1	ZINC000563072613	390492652	/nfs/dbraw/zinc/49/26/52/390492652.db2.gz	RORWVHGPWJXMEE-JTQLQIEISA-N	-1	0	277.342	0.458	20	30		CCEDRM
C=CC[C@H](NS(=O)(=O)[C@@H]1CCO[C@H]1C)C(=O)[O-]	ZINC000646041150	390581301	/nfs/dbraw/zinc/58/13/01/390581301.db2.gz	YXCOCIGCQRAETF-XHNCKOQMSA-N	-1	0	263.315	0.113	20	30		CCEDRM
C=CCn1cc(C(=O)N[C@](C)(CC)C(=O)[O-])nn1	ZINC000649244167	390535059	/nfs/dbraw/zinc/53/50/59/390535059.db2.gz	PHOHFYVSMQMZOZ-LLVKDONJSA-N	-1	0	252.274	0.447	20	30		CCEDRM
C=CCn1cc(C(=O)N2C[C@H](OC)C[C@H]2CC(=O)[O-])nn1	ZINC000649250911	390538224	/nfs/dbraw/zinc/53/82/24/390538224.db2.gz	BYLMRSUKFYADPU-VHSXEESVSA-N	-1	0	294.311	0.168	20	30		CCEDRM
C=CCn1cc(C(=O)N2C[C@H](OC)C[C@@H]2CC(=O)[O-])nn1	ZINC000649250909	390538544	/nfs/dbraw/zinc/53/85/44/390538544.db2.gz	BYLMRSUKFYADPU-NXEZZACHSA-N	-1	0	294.311	0.168	20	30		CCEDRM
C=C(C)[C@H]1OCC[C@H]1C(=O)N[C@@H](CCOC)C(=O)[O-]	ZINC000520411658	390573032	/nfs/dbraw/zinc/57/30/32/390573032.db2.gz	AVWRODOPPXBLMC-OUAUKWLOSA-N	-1	0	271.313	0.574	20	30		CCEDRM
C=CC[C@H](CO)NC(=O)N[C@@H]1CC[C@H](C(=O)[O-])C1	ZINC000646177983	390624421	/nfs/dbraw/zinc/62/44/21/390624421.db2.gz	UJOCVJZPVAWPBO-IVZWLZJFSA-N	-1	0	256.302	0.476	20	30		CCEDRM
C=C(C)[C@H]1OCC[C@H]1C(=O)N[C@H](COC)C(=O)[O-]	ZINC000567970491	390711884	/nfs/dbraw/zinc/71/18/84/390711884.db2.gz	PVIDQBPHDNSVFV-OPRDCNLKSA-N	-1	0	257.286	0.183	20	30		CCEDRM
C=CCn1cc(CNc2nc(C(=O)[O-])c(C)s2)nn1	ZINC000567983778	390711899	/nfs/dbraw/zinc/71/18/99/390711899.db2.gz	RRWUPHAVRHEGAL-UHFFFAOYSA-N	-1	0	279.325	0.961	20	30		CCEDRM
C=CCOC[C@@H](NC(=O)NC[C@@]1(C)CCCO1)C(=O)[O-]	ZINC000567108102	390671862	/nfs/dbraw/zinc/67/18/62/390671862.db2.gz	OWGBARBBJAZUDM-ZWNOBZJWSA-N	-1	0	286.328	0.511	20	30		CCEDRM
C=CCOC[C@@H](NC(=O)NCCCn1cccn1)C(=O)[O-]	ZINC000571666219	390747504	/nfs/dbraw/zinc/74/75/04/390747504.db2.gz	NKXVMEKAJOLHRI-LLVKDONJSA-N	-1	0	296.327	0.228	20	30		CCEDRM
COc1ccc(=NC(=O)NC[C@@H]2CCCCO2)[n-]n1	ZINC000329107977	533252651	/nfs/dbraw/zinc/25/26/51/533252651.db2.gz	FLILIUTYMWWQAI-VIFPVBQESA-N	-1	0	266.301	0.802	20	30		CCEDRM
Cn1nncc1CNS(=O)(=O)c1ccccc1C#N	ZINC000341902128	130143144	/nfs/dbraw/zinc/14/31/44/130143144.db2.gz	UPPZHPVBUVJEMS-UHFFFAOYSA-N	-1	0	277.309	0.165	20	30		CCEDRM
C[C@@H]1[C@H](C(=O)[O-])CCN1S(=O)(=O)c1ccc(C#N)nc1	ZINC000228698521	130874799	/nfs/dbraw/zinc/87/47/99/130874799.db2.gz	QWGXOJWEJNYKQI-LDYMZIIASA-N	-1	0	295.320	0.437	20	30		CCEDRM
Cn1cnc(=NC(=O)c2ccn(-c3cccc(C#N)c3)n2)[n-]1	ZINC000356447709	144003399	/nfs/dbraw/zinc/00/33/99/144003399.db2.gz	VJRRRLQORFQMTC-UHFFFAOYSA-N	-1	0	293.290	0.547	20	30		CCEDRM
CCc1nn(C)cc1C(=O)N=c1[nH][n-]c(C)c1C#N	ZINC000357168897	144067006	/nfs/dbraw/zinc/06/70/06/144067006.db2.gz	WKJHBLBORUUQFU-UHFFFAOYSA-N	-1	0	258.285	0.560	20	30		CCEDRM
Cc1[n-][nH]c(=NC(=O)c2cnn(C)c2-n2cccc2)c1C#N	ZINC000357235141	144072064	/nfs/dbraw/zinc/07/20/64/144072064.db2.gz	VNQJWGPXQKZZDQ-UHFFFAOYSA-N	-1	0	295.306	0.788	20	30		CCEDRM
Cc1[n-][nH]c(=NC(=O)c2ccc3[nH]c(=O)n(C)c3c2)c1C#N	ZINC000357264316	144075872	/nfs/dbraw/zinc/07/58/72/144075872.db2.gz	VUMQZOZEAHESEF-UHFFFAOYSA-N	-1	0	296.290	0.856	20	30		CCEDRM
COc1cc(C(=O)N=c2[nH][n-]c(C)c2C#N)cc(C)n1	ZINC000357264555	144075965	/nfs/dbraw/zinc/07/59/65/144075965.db2.gz	WDMFFRVRCSMTOY-UHFFFAOYSA-N	-1	0	271.280	0.976	20	30		CCEDRM
COc1ccc([N-]S(=O)(=O)c2cncc(C#N)c2)nn1	ZINC000357376759	144086687	/nfs/dbraw/zinc/08/66/87/144086687.db2.gz	WVTVETBAFYHHCU-UHFFFAOYSA-N	-1	0	291.292	0.553	20	30		CCEDRM
C#CCN(C(=O)C(=O)N(C)CCC(=O)[O-])C1CCCCC1	ZINC000491737682	397560812	/nfs/dbraw/zinc/56/08/12/397560812.db2.gz	QRPSSIIGCFZAKY-UHFFFAOYSA-N	-1	0	294.351	0.714	20	30		CCEDRM
C[C@H](CC#N)N(C)S(=O)(=O)N[C@@H](CC(F)F)C(=O)[O-]	ZINC000565425092	397577528	/nfs/dbraw/zinc/57/75/28/397577528.db2.gz	BDERSIAJRWNXER-RQJHMYQMSA-N	-1	0	299.299	0.163	20	30		CCEDRM
C=C[C@H](CCC(=O)[O-])NS(=O)(=O)[C@H]1CCO[C@H](C)C1	ZINC000650421429	397718018	/nfs/dbraw/zinc/71/80/18/397718018.db2.gz	DFPHJMQJKYGTSZ-MXWKQRLJSA-N	-1	0	291.369	0.893	20	30		CCEDRM
C=CCCCS(=O)(=O)N[C@H](Cc1ncccn1)C(=O)[O-]	ZINC000650428131	397719001	/nfs/dbraw/zinc/71/90/01/397719001.db2.gz	CFHDCZCORBGOQL-SNVBAGLBSA-N	-1	0	299.352	0.358	20	30		CCEDRM
C=CC[C@H](NS(=O)(=O)CCC(F)(F)F)C(=O)[O-]	ZINC000650389395	397716006	/nfs/dbraw/zinc/71/60/06/397716006.db2.gz	JETZVLRZJKBMLP-LURJTMIESA-N	-1	0	275.248	0.888	20	30		CCEDRM
C=C(C)C[C@@H](C)C(=O)N=c1ccc(C(=O)NC)n[n-]1	ZINC000650817885	397765958	/nfs/dbraw/zinc/76/59/58/397765958.db2.gz	QECFQHTVMLTWRE-SECBINFHSA-N	-1	0	262.313	0.799	20	30		CCEDRM
N#Cc1ccc(C(=O)N2CCC[C@H](c3n[nH]c(=O)[n-]3)C2)nc1	ZINC000551987739	286144050	/nfs/dbraw/zinc/14/40/50/286144050.db2.gz	YBVXECRDIRCTHQ-JTQLQIEISA-N	-1	0	298.306	0.797	20	30		CCEDRM
N#Cc1cccc(C(=O)N2CCO[C@@H](C(=O)[O-])C2)c1	ZINC000049864769	411677107	/nfs/dbraw/zinc/67/71/07/411677107.db2.gz	CLKQWKJYRCNXND-LLVKDONJSA-N	-1	0	260.249	0.484	20	30		CCEDRM
C=CCOCCNC(=O)N[C@@](C)(C(=O)[O-])C1CC1	ZINC000310717929	411747500	/nfs/dbraw/zinc/74/75/00/411747500.db2.gz	PCLSAOIEQUCFNE-GFCCVEGCSA-N	-1	0	256.302	0.742	20	30		CCEDRM
C=CCNS(=O)(=O)c1ccc(O)c(C(=O)[O-])c1	ZINC000021797134	171325071	/nfs/dbraw/zinc/32/50/71/171325071.db2.gz	SBATZNVXHDDURV-UHFFFAOYSA-N	-1	0	257.267	0.555	20	30		CCEDRM
C=CCCNC(=O)C(=O)NC[C@@H](CC(C)C)C(=O)[O-]	ZINC000659659015	413758115	/nfs/dbraw/zinc/75/81/15/413758115.db2.gz	FPFWHWBIPCYZHA-SNVBAGLBSA-N	-1	0	270.329	0.542	20	30		CCEDRM
C=C(C)CN(CC)C(=O)C(=O)NCC1(C(=O)[O-])CCC1	ZINC000659667818	413763643	/nfs/dbraw/zinc/76/36/43/413763643.db2.gz	DPVUNEIPCOLVSS-UHFFFAOYSA-N	-1	0	282.340	0.782	20	30		CCEDRM
C=CCCS(=O)(=O)NC[C@H](C(=O)[O-])C1CCC1	ZINC000663253926	415029829	/nfs/dbraw/zinc/02/98/29/415029829.db2.gz	CTLGCPAKOSNQOL-JTQLQIEISA-N	-1	0	261.343	0.983	20	30		CCEDRM
C=CCN(C)C(=O)C(=O)NC[C@H](C(=O)[O-])C1CCC1	ZINC000663635527	415100736	/nfs/dbraw/zinc/10/07/36/415100736.db2.gz	SSHWMGUKQCBKGO-JTQLQIEISA-N	-1	0	268.313	0.248	20	30		CCEDRM
CC[C@H](NS(=O)(=O)c1ccc(F)c(C#N)c1)C(=O)[O-]	ZINC000071238471	176094115	/nfs/dbraw/zinc/09/41/15/176094115.db2.gz	DLKKVJYIGHSBKV-JTQLQIEISA-N	-1	0	286.284	0.839	20	30		CCEDRM
CC(C)C[N@H+](CCC#N)CCC(=O)NCC(=O)[O-]	ZINC000736436979	581766381	/nfs/dbraw/zinc/76/63/81/581766381.db2.gz	CXNFYEUCTOWANN-UHFFFAOYSA-N	-1	0	255.318	0.449	20	30		CCEDRM
CC#CCCNC(=O)NCC1(C(=O)[O-])CCOCC1	ZINC000158555163	544689868	/nfs/dbraw/zinc/68/98/68/544689868.db2.gz	YJLGXRJCHDYITJ-UHFFFAOYSA-N	-1	0	268.313	0.580	20	30		CCEDRM
C=CC[C@H](C)NS(=O)(=O)N1CCC[C@H](C(=O)[O-])C1	ZINC000162557869	544712120	/nfs/dbraw/zinc/71/21/20/544712120.db2.gz	HVQDSAMZEOFFFD-UWVGGRQHSA-N	-1	0	276.358	0.582	20	30		CCEDRM
CC#CCNC(=O)c1cc(C)c2c(=O)[n-]c(=O)nc-2[nH]1	ZINC000179677598	260062943	/nfs/dbraw/zinc/06/29/43/260062943.db2.gz	UMQYUOLPLOCCLE-UHFFFAOYSA-N	-1	0	272.264	0.085	20	30		CCEDRM
CC#CCCCC(=O)N1CCO[C@@H](c2nnn[n-]2)C1	ZINC000364170447	262179232	/nfs/dbraw/zinc/17/92/32/262179232.db2.gz	RFSKJCQXMNIGJW-SNVBAGLBSA-N	-1	0	263.301	0.293	20	30		CCEDRM
N#CCCn1ccc([N-]S(=O)(=O)c2cn[nH]c2)n1	ZINC000117740709	262280088	/nfs/dbraw/zinc/28/00/88/262280088.db2.gz	CBUUJBQYLLFSPQ-UHFFFAOYSA-N	-1	0	266.286	0.321	20	30		CCEDRM
C[C@@H]1CCC[C@](C#N)(NC(=O)c2cnc([O-])n(C)c2=O)C1	ZINC000267677148	262940320	/nfs/dbraw/zinc/94/03/20/262940320.db2.gz	LEUHZYMNUNVTCX-OTYXRUKQSA-N	-1	0	290.323	0.688	20	30		CCEDRM
N#C[C@H]1CN(C(=O)c2cc([N+](=O)[O-])ccc2[O-])CCO1	ZINC000271299857	262995641	/nfs/dbraw/zinc/99/56/41/262995641.db2.gz	SCIHRYWFFJXTKM-VIFPVBQESA-N	-1	0	277.236	0.665	20	30		CCEDRM
C#CCO[N-]C(=O)[C@H](C)NC(=O)c1cccs1	ZINC000291377453	263121888	/nfs/dbraw/zinc/12/18/88/263121888.db2.gz	ZYEMORWPYBTCQN-QMMMGPOBSA-N	-1	0	252.295	0.547	20	30		CCEDRM
C[C@@H](CC#N)/N=C(/[O-])c1cnc2n(c1=O)CCS2	ZINC000330631019	264000075	/nfs/dbraw/zinc/00/00/75/264000075.db2.gz	DXNKMQFKPSEDKK-ZETCQYMHSA-N	-1	0	264.310	0.956	20	30		CCEDRM
C=C[C@@](C)(O)CC(=O)N1CCC[C@@H](c2n[n-]c(=O)o2)C1	ZINC000331244850	264178826	/nfs/dbraw/zinc/17/88/26/264178826.db2.gz	QXJRRVSONMLFRS-NOZJJQNGSA-N	-1	0	281.312	0.808	20	30		CCEDRM
CC[C@@H](CC#N)NS(=O)(=O)[N-]CC(F)(F)F	ZINC000126941465	264238930	/nfs/dbraw/zinc/23/89/30/264238930.db2.gz	SQVGKWDEPYMLJK-LURJTMIESA-N	-1	0	259.253	0.665	20	30		CCEDRM
N#CCC1(O)CN(C(=O)c2cc([O-])cc([N+](=O)[O-])c2)C1	ZINC000356558824	266137722	/nfs/dbraw/zinc/13/77/22/266137722.db2.gz	VOABXFOGBJDRMR-UHFFFAOYSA-N	-1	0	277.236	0.401	20	30		CCEDRM
COc1cc(C(=O)N=c2[n-]n(C)cc2C#N)cc(C)n1	ZINC000337167492	294939220	/nfs/dbraw/zinc/93/92/20/294939220.db2.gz	JHNHOKXKAUMBJG-UHFFFAOYSA-N	-1	0	271.280	0.678	20	30		CCEDRM
Cc1cc(C#N)ccc1S(=O)(=O)N[C@H](C)C(=O)[O-]	ZINC000230275477	301077520	/nfs/dbraw/zinc/07/75/20/301077520.db2.gz	NADCLVHUDXROBT-MRVPVSSYSA-N	-1	0	268.294	0.618	20	30		CCEDRM
Cn1cccc(N=C([O-])N2C[C@@H]3CC[C@@H](O)[C@H]3C2)c1=O	ZINC000329576663	302960260	/nfs/dbraw/zinc/96/02/60/302960260.db2.gz	SJWFKZWUWHZYLM-JBLDHEPKSA-N	-1	0	277.324	0.634	20	30		CCEDRM
N#Cc1ccccc1S(=O)(=O)N1CCOC[C@H]1C(=O)[O-]	ZINC000088376959	303207280	/nfs/dbraw/zinc/20/72/80/303207280.db2.gz	OCGBPQMYVDCVSG-JTQLQIEISA-N	-1	0	296.304	0.032	20	30		CCEDRM
C=C[C@H](CCC(=O)[O-])NS(=O)(=O)N(C)[C@@H](C)CC#N	ZINC000571645734	328190093	/nfs/dbraw/zinc/19/00/93/328190093.db2.gz	ITMVSACMBGSARP-VHSXEESVSA-N	-1	0	289.357	0.474	20	30		CCEDRM
C=C(C)COCCNC(=O)N(C)C[C@H](C)C(=O)[O-]	ZINC000164156156	328302039	/nfs/dbraw/zinc/30/20/39/328302039.db2.gz	BWKNWNUAKRDHFR-JTQLQIEISA-N	-1	0	258.318	0.941	20	30		CCEDRM
Cc1n[n-]c(=NC(=O)NCc2nncn2C(C)C)s1	ZINC000330607203	328463267	/nfs/dbraw/zinc/46/32/67/328463267.db2.gz	ORSOJFGHYSOYQQ-UHFFFAOYSA-N	-1	0	281.345	0.967	20	30		CCEDRM
C=CCCCS(=O)(=O)[N-]c1nc2ncccn2n1	ZINC000291843901	328535386	/nfs/dbraw/zinc/53/53/86/328535386.db2.gz	HSJPEXYRHGKDDM-UHFFFAOYSA-N	-1	0	267.314	0.832	20	30		CCEDRM
C=CC1CCN(S(=O)(=O)c2cnn(CC(=O)[O-])c2)CC1	ZINC000564919393	327147025	/nfs/dbraw/zinc/14/70/25/327147025.db2.gz	LEZJCNJLQBUWSO-UHFFFAOYSA-N	-1	0	299.352	0.554	20	30		CCEDRM
Cc1[n-][nH]c(=NC(=O)c2snnc2C2CC2)c1C#N	ZINC000583353431	327316190	/nfs/dbraw/zinc/31/61/90/327316190.db2.gz	PWZDTTWVGMLUEF-UHFFFAOYSA-N	-1	0	274.309	0.993	20	30		CCEDRM
N#C[C@H]1CN(C(=O)N=c2[n-]nc(C3CC3)s2)CCO1	ZINC000560903137	327351092	/nfs/dbraw/zinc/35/10/92/327351092.db2.gz	KONSRDJOGYILIN-QMMMGPOBSA-N	-1	0	279.325	0.594	20	30		CCEDRM
C=CCOC[C@@H](NC(=O)NC[C@]1(C)CCOC1)C(=O)[O-]	ZINC000562459801	327482688	/nfs/dbraw/zinc/48/26/88/327482688.db2.gz	RYXJPJITPVMLHP-MFKMUULPSA-N	-1	0	286.328	0.368	20	30		CCEDRM
C=CCOC[C@H](NC(=O)N[C@@H]1C[C@H]2OCCC[C@H]12)C(=O)[O-]	ZINC000570172467	327574033	/nfs/dbraw/zinc/57/40/33/327574033.db2.gz	YSQXMDIQFLZNCV-WISYIIOYSA-N	-1	0	298.339	0.509	20	30		CCEDRM
Cn1ccnc1-c1cc(=NC(=O)[C@H](N)CCCC#N)[nH][n-]1	ZINC000583320763	329450812	/nfs/dbraw/zinc/45/08/12/329450812.db2.gz	MRZZETMXIOLGMT-SECBINFHSA-N	-1	0	287.327	0.192	20	30		CCEDRM
C=C[C@@H]1OCCC[C@H]1C(=O)N1C[C@@H](C)O[C@@H](C(=O)[O-])C1	ZINC000425239164	329646632	/nfs/dbraw/zinc/64/66/32/329646632.db2.gz	KFKXBHMEGYAABS-WISYIIOYSA-N	-1	0	283.324	0.668	20	30		CCEDRM
COC(=O)c1ncsc1S(=O)(=O)[N-][C@@H](C)CC#N	ZINC000134703269	329660391	/nfs/dbraw/zinc/66/03/91/329660391.db2.gz	YSFWAUKNCHKGEC-LURJTMIESA-N	-1	0	289.338	0.510	20	30		CCEDRM
C=CC[C@H](CC)NC(=O)C(=O)N(C)C[C@@H](C)C(=O)[O-]	ZINC000420567895	329774898	/nfs/dbraw/zinc/77/48/98/329774898.db2.gz	UMSHARYLHHDFFY-ZJUUUORDSA-N	-1	0	270.329	0.636	20	30		CCEDRM
N#CCCCCS(=O)(=O)N1CCC(C(=O)[O-])CC1	ZINC000261631713	329973744	/nfs/dbraw/zinc/97/37/44/329973744.db2.gz	DTNJZAGQLWRILT-UHFFFAOYSA-N	-1	0	274.342	0.807	20	30		CCEDRM
C=CCC[C@@H](NS(=O)(=O)C[C@H]1CCOC1)C(=O)[O-]	ZINC000572337298	329984929	/nfs/dbraw/zinc/98/49/29/329984929.db2.gz	OZPBBBWPBORMFM-VHSXEESVSA-N	-1	0	277.342	0.362	20	30		CCEDRM
C=CCCO[C@H](C)C(=O)N1C[C@H]2COCC[C@@]2(C(=O)[O-])C1	ZINC000262360417	330010711	/nfs/dbraw/zinc/01/07/11/330010711.db2.gz	INSTUVNXSCAPQD-TYNCELHUSA-N	-1	0	297.351	0.917	20	30		CCEDRM
N#CCCCCS(=O)(=O)N1CCC[C@H](C(=O)[O-])C1	ZINC000262572824	330021713	/nfs/dbraw/zinc/02/17/13/330021713.db2.gz	ZJKCNVJWEYWUSK-JTQLQIEISA-N	-1	0	274.342	0.807	20	30		CCEDRM
C=CCOC[C@@H](NC(=O)C[C@H]1CCCCO1)C(=O)[O-]	ZINC000262878809	330036098	/nfs/dbraw/zinc/03/60/98/330036098.db2.gz	BYLQOUXIGNBMTR-GHMZBOCLSA-N	-1	0	271.313	0.718	20	30		CCEDRM
C=CCOC[C@H](NC(=O)CC1(OC)CCC1)C(=O)[O-]	ZINC000262875806	330036099	/nfs/dbraw/zinc/03/60/99/330036099.db2.gz	BTGZRTVQEKKHCP-JTQLQIEISA-N	-1	0	271.313	0.718	20	30		CCEDRM
C=CCOC[C@@H](NC(=O)CO[C@@H](C)CC)C(=O)[O-]	ZINC000263011122	330038804	/nfs/dbraw/zinc/03/88/04/330038804.db2.gz	NCFBVGKCNAPBJR-VHSXEESVSA-N	-1	0	259.302	0.574	20	30		CCEDRM
C=CCOC[C@@H](NC(=O)c1ccc(OC)nc1)C(=O)[O-]	ZINC000263040711	330040171	/nfs/dbraw/zinc/04/01/71/330040171.db2.gz	PFCLBAZDOSAHRI-SNVBAGLBSA-N	-1	0	280.280	0.476	20	30		CCEDRM
C=CCOC[C@H](NC(=O)COc1ccccc1)C(=O)[O-]	ZINC000263045795	330040491	/nfs/dbraw/zinc/04/04/91/330040491.db2.gz	PNFAWAYZFZBIIP-LBPRGKRZSA-N	-1	0	279.292	0.837	20	30		CCEDRM
C#CCNC(=O)c1ccc(N(C)[C@@H](C)C(=O)[O-])nc1	ZINC000263453336	330056727	/nfs/dbraw/zinc/05/67/27/330056727.db2.gz	AHQRPXNVVGWZCS-VIFPVBQESA-N	-1	0	261.281	0.354	20	30		CCEDRM
CC(C)(CC#N)CS(=O)(=O)N1CCC[C@@H]1C(=O)[O-]	ZINC000263555624	330059339	/nfs/dbraw/zinc/05/93/39/330059339.db2.gz	OAEVXXODWCVEGI-SECBINFHSA-N	-1	0	274.342	0.805	20	30		CCEDRM
C=CCCCN(C)C(=O)C(=O)N1CC[C@@H](C(=O)[O-])C1	ZINC000422834865	330156848	/nfs/dbraw/zinc/15/68/48/330156848.db2.gz	OJBCLMUXZAFGSB-SNVBAGLBSA-N	-1	0	268.313	0.344	20	30		CCEDRM
C[C@H](C#N)CN(C)C(=O)C(=O)N1C[C@H](C)C[C@H](C(=O)[O-])C1	ZINC000422944304	330161878	/nfs/dbraw/zinc/16/18/78/330161878.db2.gz	LJJVNSQJIYPLFJ-MXWKQRLJSA-N	-1	0	295.339	0.174	20	30		CCEDRM
CN(CCC#N)S(=O)(=O)NCc1cc(C(=O)[O-])co1	ZINC000527491212	330251259	/nfs/dbraw/zinc/25/12/59/330251259.db2.gz	CIWJMSDHUPAIEU-UHFFFAOYSA-N	-1	0	287.297	0.158	20	30		CCEDRM
C=CCN(CC(=O)[O-])S(=O)(=O)c1cc(C)cnc1N	ZINC000548562135	330284489	/nfs/dbraw/zinc/28/44/89/330284489.db2.gz	KHPTYGCZZDBNFO-UHFFFAOYSA-N	-1	0	285.325	0.234	20	30		CCEDRM
COc1cccc(S([O-])=CC(=O)N(C)CC#N)c1	ZINC000424627936	330430296	/nfs/dbraw/zinc/43/02/96/330430296.db2.gz	LWKBJSFIFFVEPB-GOSISDBHSA-N	-1	0	266.322	0.785	20	30		CCEDRM
N#CCCCC(=O)N1CCC[C@H](c2n[nH]c(=O)[n-]2)C1	ZINC000515654052	330481161	/nfs/dbraw/zinc/48/11/61/330481161.db2.gz	CJXWDOYPOKJGST-VIFPVBQESA-N	-1	0	263.301	0.910	20	30		CCEDRM
CNC(=O)C(C#N)=C([O-])c1ccc(NC(=O)OC)cc1	ZINC000490652362	332100137	/nfs/dbraw/zinc/10/01/37/332100137.db2.gz	PYJXYMOHFYAIRJ-SNVBAGLBSA-N	-1	0	275.264	0.933	20	30		CCEDRM
C#CCN(CC#N)C(=O)c1cccc([N+](=O)[O-])c1[O-]	ZINC000490985802	332136187	/nfs/dbraw/zinc/13/61/87/332136187.db2.gz	NPPCMJGSMNVJIS-UHFFFAOYSA-N	-1	0	259.221	0.899	20	30		CCEDRM
C#CCN(C1CCCC1)S(=O)(=O)c1n[nH]cc1C(=O)[O-]	ZINC000491484082	332219643	/nfs/dbraw/zinc/21/96/43/332219643.db2.gz	HBVOYJHJAQOUGI-UHFFFAOYSA-N	-1	0	297.336	0.674	20	30		CCEDRM
C#CCn1ccc(CN(CC)C(=O)N=c2[n-]ncs2)n1	ZINC000491626693	332250231	/nfs/dbraw/zinc/25/02/31/332250231.db2.gz	LRBKKWMHRXFNOK-UHFFFAOYSA-N	-1	0	290.352	0.844	20	30		CCEDRM
C#CCN(CC#CC)C(=O)c1cnc(C(=O)[O-])cn1	ZINC000491669402	332276825	/nfs/dbraw/zinc/27/68/25/332276825.db2.gz	XKMWMFJPMCFZBY-UHFFFAOYSA-N	-1	0	257.249	0.274	20	30		CCEDRM
C#C[C@H](CC)NC(=O)C(=O)N=c1nc(C(C)(C)C)[n-]s1	ZINC000491682750	332285421	/nfs/dbraw/zinc/28/54/21/332285421.db2.gz	UPXLVLMAIFRLAG-MRVPVSSYSA-N	-1	0	294.380	0.724	20	30		CCEDRM
COC[C@](C)(C#N)NC(=O)/C=C\c1cncc(O)c1	ZINC000492470067	332398990	/nfs/dbraw/zinc/39/89/90/332398990.db2.gz	DRDCRYIGWCHDCQ-SCOBNMCVSA-N	-1	0	261.281	0.845	20	30		CCEDRM
C=CCS(=O)(=O)[N-]C(=O)/C=C/c1ccc(OC)cn1	ZINC000492511259	332401032	/nfs/dbraw/zinc/40/10/32/332401032.db2.gz	XLIFPHHEQAUHTH-FNORWQNLSA-N	-1	0	282.321	0.735	20	30		CCEDRM
C#CCCS(=O)(=O)[N-]C(=O)/C=C\c1ccn(C)c1	ZINC000493699173	332450267	/nfs/dbraw/zinc/45/02/67/332450267.db2.gz	VLWHPEFAXVKZPO-WAYWQWQTSA-N	-1	0	266.322	0.508	20	30		CCEDRM
N#CC1(CS(=O)(=O)[N-]C(=O)/C=C\c2ccc[nH]2)CC1	ZINC000493864168	332456973	/nfs/dbraw/zinc/45/69/73/332456973.db2.gz	YDZJOFVKVFJUHI-ARJAWSKDSA-N	-1	0	279.321	0.778	20	30		CCEDRM
C=CCN(C)S(=O)(=O)c1ccc2c(c1)C[C@@H](C(=O)[O-])O2	ZINC000516968109	333088295	/nfs/dbraw/zinc/08/82/95/333088295.db2.gz	CVHNHCNYJLWONU-LBPRGKRZSA-N	-1	0	297.332	0.881	20	30		CCEDRM
C=CCC[C@@H](NS(=O)(=O)N1CCC(C)CC1)C(=O)[O-]	ZINC000316334184	333388310	/nfs/dbraw/zinc/38/83/10/333388310.db2.gz	IBIUUEFHBWGCCD-LLVKDONJSA-N	-1	0	290.385	0.972	20	30		CCEDRM
CNC(=O)C(C#N)=C([O-])c1ccc2c(c1)N(C)C(=O)CO2	ZINC000528925252	333465188	/nfs/dbraw/zinc/46/51/88/333465188.db2.gz	UGCNIARXRIKIHT-VIFPVBQESA-N	-1	0	287.275	0.110	20	30		CCEDRM
CN(C(=O)CSc1n[nH]c(=O)[n-]1)C1(C#N)CCC1	ZINC000547603299	334102043	/nfs/dbraw/zinc/10/20/43/334102043.db2.gz	OKLCELLKFFVNFB-UHFFFAOYSA-N	-1	0	267.314	0.507	20	30		CCEDRM
N#CC1(CS(=O)(=O)N(CC(=O)[O-])C2CCCC2)CC1	ZINC000547897421	334128935	/nfs/dbraw/zinc/12/89/35/334128935.db2.gz	RIARAVCKABNWHS-UHFFFAOYSA-N	-1	0	286.353	0.949	20	30		CCEDRM
C=CCN(CC(=O)[O-])S(=O)(=O)c1cn(C(C)C)cn1	ZINC000548242664	334146918	/nfs/dbraw/zinc/14/69/18/334146918.db2.gz	HLLVSTHMMUGYMF-UHFFFAOYSA-N	-1	0	287.341	0.725	20	30		CCEDRM
C=CCN(CC(=O)[O-])S(=O)(=O)CC1(C#N)CCCC1	ZINC000548234266	334146945	/nfs/dbraw/zinc/14/69/45/334146945.db2.gz	ZBTUMGYTQMNLFD-UHFFFAOYSA-N	-1	0	286.353	0.973	20	30		CCEDRM
C[C@@H]1C[C@]1(C#N)C(=O)N1CCC(c2n[nH]c(=O)[n-]2)CC1	ZINC000565026255	334535210	/nfs/dbraw/zinc/53/52/10/334535210.db2.gz	JPUJOOUCFZCFSQ-AMIZOPFISA-N	-1	0	275.312	0.766	20	30		CCEDRM
C[C@@H]1CCN(S(=O)(=O)CCC#N)C[C@H]1C(=O)[O-]	ZINC000565363153	334556216	/nfs/dbraw/zinc/55/62/16/334556216.db2.gz	ILCYKCXQPKOKBD-RKDXNWHRSA-N	-1	0	260.315	0.272	20	30		CCEDRM
C=CCOC[C@@H](NC(=O)C[C@@H](C)n1ccnc1)C(=O)[O-]	ZINC000566345918	334643807	/nfs/dbraw/zinc/64/38/07/334643807.db2.gz	ZIWUNTVCEGJJAI-GHMZBOCLSA-N	-1	0	281.312	0.606	20	30		CCEDRM
C=CCOC[C@@H](NC(=O)Nc1cc(C)nn1C)C(=O)[O-]	ZINC000576875148	335258693	/nfs/dbraw/zinc/25/86/93/335258693.db2.gz	IJSVMZUQTSUZRQ-SECBINFHSA-N	-1	0	282.300	0.506	20	30		CCEDRM
C=CCCCS(=O)(=O)N1C[C@@H]2C[C@]2(C(=O)[O-])C1	ZINC000581108228	336009007	/nfs/dbraw/zinc/00/90/07/336009007.db2.gz	TYZYAMZSSWUWBK-ONGXEEELSA-N	-1	0	259.327	0.689	20	30		CCEDRM
C=C(C)CS(=O)(=O)NC[C@H](Cc1ccccn1)C(=O)[O-]	ZINC000581373547	336063811	/nfs/dbraw/zinc/06/38/11/336063811.db2.gz	ZZIUVRAGWPQTFX-NSHDSACASA-N	-1	0	298.364	0.820	20	30		CCEDRM
C=CCCS(=O)(=O)N1[C@H](C(=O)[O-])CS[C@H]1C	ZINC000381529671	336067618	/nfs/dbraw/zinc/06/76/18/336067618.db2.gz	YKIIWFADNHYMFB-YUMQZZPRSA-N	-1	0	265.356	0.740	20	30		CCEDRM
CCO[C@@H]1C[C@H]1C(=O)[N-]S(=O)(=O)CC(C)(C)C#N	ZINC000776143228	582053934	/nfs/dbraw/zinc/05/39/34/582053934.db2.gz	UULMGORQJMAJBQ-RKDXNWHRSA-N	-1	0	274.342	0.407	20	30		CCEDRM
Cn1nncc1/C=C\c1nc(C(=O)[O-])ccc1C#N	ZINC000430976704	534355095	/nfs/dbraw/zinc/35/50/95/534355095.db2.gz	HEPNFYMVGBVIIA-HYXAFXHYSA-N	-1	0	255.237	0.950	20	30		CCEDRM
CCc1nn(C)cc1C(=O)Nc1nc(C#N)c(C#N)[n-]1	ZINC000356543744	522685995	/nfs/dbraw/zinc/68/59/95/522685995.db2.gz	ZCHHGWBNXWBTEI-UHFFFAOYSA-N	-1	0	269.268	0.701	20	30		CCEDRM
N#Cc1cc(F)c(S(=O)(=O)[N-][C@@H]2CC[C@H]2O)c(F)c1	ZINC000425201927	534773842	/nfs/dbraw/zinc/77/38/42/534773842.db2.gz	BHLVHUBBJRSHBY-NXEZZACHSA-N	-1	0	288.275	0.638	20	30		CCEDRM
C=CCNC(=O)CNC(=O)N=c1nc([C@H](C)OC)[n-]s1	ZINC000350653090	526551625	/nfs/dbraw/zinc/55/16/25/526551625.db2.gz	LQXZGYDGFPGENS-ZETCQYMHSA-N	-1	0	299.356	0.091	20	30		CCEDRM
CC(=O)N1CCC[C@@H](C(=O)N=c2[nH][n-]c(C)c2C#N)C1	ZINC000431675743	526564323	/nfs/dbraw/zinc/56/43/23/526564323.db2.gz	ZKMONFNZDMXZRX-SNVBAGLBSA-N	-1	0	275.312	0.209	20	30		CCEDRM
C=CC[C@H](CO)NC(=O)N=c1nc(CCC)[n-]s1	ZINC000350869646	527195505	/nfs/dbraw/zinc/19/55/05/527195505.db2.gz	QGXHRGXZOWKRRV-MRVPVSSYSA-N	-1	0	270.358	0.971	20	30		CCEDRM
C=C[C@@H]1OCCC[C@H]1NC(=O)N=c1nc(C)n(C)[n-]1	ZINC000333732266	527472690	/nfs/dbraw/zinc/47/26/90/527472690.db2.gz	WTRMJRDXUJTAIX-ZJUUUORDSA-N	-1	0	265.317	0.401	20	30		CCEDRM
C=CCOC[C@@H](NC(=O)[C@H](OC)C1CC1)C(=O)[O-]	ZINC000668290192	545171419	/nfs/dbraw/zinc/17/14/19/545171419.db2.gz	LWMPAZRBTJBXAC-NXEZZACHSA-N	-1	0	257.286	0.183	20	30		CCEDRM
CC(C)c1n[n-]c(=NCCCc2[nH]nc(N)c2C#N)o1	ZINC000450222732	528243750	/nfs/dbraw/zinc/24/37/50/528243750.db2.gz	GAIHIMWLGZHYCJ-UHFFFAOYSA-N	-1	0	275.316	0.667	20	30		CCEDRM
C=CCOCCNC(=O)N(CC(=O)[O-])CC(C)C	ZINC000306050306	649893709	/nfs/dbraw/zinc/89/37/09/649893709.db2.gz	SFISTLLFSONMSK-UHFFFAOYSA-N	-1	0	258.318	0.941	20	30		CCEDRM
CC#CCS(=O)(=O)[N-]C(=O)[C@@H](C)OC[C@H]1CCCO1	ZINC000791105809	581207612	/nfs/dbraw/zinc/20/76/12/581207612.db2.gz	DUUZYYZXCMTYBJ-GHMZBOCLSA-N	-1	0	289.353	0.040	20	30		CCEDRM
CCN(C[C@H](C)C#N)C(=O)[C@H]1C[C@H](O)CN1C(=O)[O-]	ZINC000739405646	581132214	/nfs/dbraw/zinc/13/22/14/581132214.db2.gz	ZLVAXABKSGZPOB-KXUCPTDWSA-N	-1	0	269.301	0.108	20	30		CCEDRM
CCN(CCC#N)C(=O)CN1CCN(C(=O)[O-])C[C@@H]1C	ZINC000739416091	581133349	/nfs/dbraw/zinc/13/33/49/581133349.db2.gz	XMVOOUGYECUCGL-NSHDSACASA-N	-1	0	282.344	0.433	20	30		CCEDRM
CCN(CCC#N)C(=O)CN1CCN(C(=O)[O-])C[C@H]1C	ZINC000739416090	581133588	/nfs/dbraw/zinc/13/35/88/581133588.db2.gz	XMVOOUGYECUCGL-LLVKDONJSA-N	-1	0	282.344	0.433	20	30		CCEDRM
CCc1cncc(C([O-])=C(C#N)C(=O)NCCOC)c1	ZINC000789402892	581147689	/nfs/dbraw/zinc/14/76/89/581147689.db2.gz	HYYKPWFKHDFNPY-GFCCVEGCSA-N	-1	0	275.308	0.729	20	30		CCEDRM
CNC(=O)C(C#N)=C([O-])c1nnn(CC2CCCC2)c1C	ZINC000789406785	581147704	/nfs/dbraw/zinc/14/77/04/581147704.db2.gz	YDNXKKJNNZENFW-LLVKDONJSA-N	-1	0	289.339	0.845	20	30		CCEDRM
C=CCNC(=O)C(C#N)=C([O-])c1ccnn1CC(F)F	ZINC000789405357	581147903	/nfs/dbraw/zinc/14/79/03/581147903.db2.gz	XNNNPENHMSISIG-MRVPVSSYSA-N	-1	0	282.250	0.773	20	30		CCEDRM
N#CCCN(Cc1cccnc1)C(=O)CCNC(=O)[O-]	ZINC000739075569	581170513	/nfs/dbraw/zinc/17/05/13/581170513.db2.gz	IHAMEJSOUCINGS-UHFFFAOYSA-N	-1	0	276.296	0.982	20	30		CCEDRM
N#CCN(CC(=O)[O-])C(=O)COCc1ccccc1	ZINC000739079050	581172463	/nfs/dbraw/zinc/17/24/63/581172463.db2.gz	PVYJUUDTHZFNPU-UHFFFAOYSA-N	-1	0	262.265	0.640	20	30		CCEDRM
N#CCN(CC(=O)[O-])S(=O)(=O)c1ccc2c(c1)CCC2	ZINC000739085086	581174597	/nfs/dbraw/zinc/17/45/97/581174597.db2.gz	CBMUUDBNMUKOKB-UHFFFAOYSA-N	-1	0	294.332	0.774	20	30		CCEDRM
COCC1(C(=O)[N-]S(=O)(=O)c2cccc(C#N)c2)CC1	ZINC000779194092	581176770	/nfs/dbraw/zinc/17/67/70/581176770.db2.gz	JUDGQTQLUYNRHW-UHFFFAOYSA-N	-1	0	294.332	0.790	20	30		CCEDRM
CC#CCS(=O)(=O)[N-]C(=O)[C@@H](C)OCC1CC1	ZINC000791110415	581207699	/nfs/dbraw/zinc/20/76/99/581207699.db2.gz	CYMBFJRIMZKCQX-SECBINFHSA-N	-1	0	259.327	0.271	20	30		CCEDRM
C#CCCCCCC(=O)[N-]S(=O)(=O)N1CCOCC1	ZINC000780387504	581226721	/nfs/dbraw/zinc/22/67/21/581226721.db2.gz	HJFDNALHZBHWLO-UHFFFAOYSA-N	-1	0	288.369	0.263	20	30		CCEDRM
C=CCCOCC(=O)[N-]S(=O)(=O)C[C@H]1CCCO1	ZINC000781512119	581270544	/nfs/dbraw/zinc/27/05/44/581270544.db2.gz	HJAOSDXMFLVVBO-SNVBAGLBSA-N	-1	0	277.342	0.204	20	30		CCEDRM
CCCn1cc(C([O-])=C(C#N)C(=O)NC2CC2)cn1	ZINC000781762950	581276905	/nfs/dbraw/zinc/27/69/05/581276905.db2.gz	GJLMUEOCLPEBAR-NSHDSACASA-N	-1	0	260.297	0.894	20	30		CCEDRM
CC[C@H](NN=Cc1cc(C(=O)OC)n(C)c1)C(=O)[O-]	ZINC000793055904	581282167	/nfs/dbraw/zinc/28/21/67/581282167.db2.gz	OYFSFUJAGUBYAF-VIFPVBQESA-N	-1	0	267.285	0.598	20	30		CCEDRM
CC[C@@H](NN=C1CCC[C@@H]1S(C)(=O)=O)C(=O)[O-]	ZINC000793072676	581283252	/nfs/dbraw/zinc/28/32/52/581283252.db2.gz	UZMGKUPUMKXKIQ-APPZFPTMSA-N	-1	0	262.331	0.392	20	30		CCEDRM
CC[C@H](C)[C@@H](OC)C(=O)[N-]S(=O)(=O)CC1(C#N)CC1	ZINC000793196009	581287755	/nfs/dbraw/zinc/28/77/55/581287755.db2.gz	FHFWGMNCHRIPJU-VHSXEESVSA-N	-1	0	288.369	0.797	20	30		CCEDRM
Cc1noc(C)c1CC(=O)[N-]S(=O)(=O)CC1(C#N)CC1	ZINC000793195174	581287796	/nfs/dbraw/zinc/28/77/96/581287796.db2.gz	HIMVYLBVCKPMCE-UHFFFAOYSA-N	-1	0	297.336	0.584	20	30		CCEDRM
O=C([O-])c1occc1C=NNc1nc2[nH][nH]cc-2c(=O)n1	ZINC000740280470	581319335	/nfs/dbraw/zinc/31/93/35/581319335.db2.gz	BSWUNHZFWUKWCM-UHFFFAOYSA-N	-1	0	288.223	0.169	20	30		CCEDRM
N#Cc1nc(NC(=O)C2=COCCC2)[n-]c1-c1nn[nH]n1	ZINC000737704496	581322629	/nfs/dbraw/zinc/32/26/29/581322629.db2.gz	GSEZMYRVWWIQNM-UHFFFAOYSA-N	-1	0	286.255	0.094	20	30		CCEDRM
N#Cc1ccc(OCC(=O)N2CC[C@@H](NC(=O)[O-])C2)cc1	ZINC000740319048	581325878	/nfs/dbraw/zinc/32/58/78/581325878.db2.gz	KNWATPDGDVMOOH-LLVKDONJSA-N	-1	0	289.291	0.806	20	30		CCEDRM
C#CCN1CCN(C(=O)[C@@H]2CCC[C@@H](NC(=O)[O-])C2)CC1	ZINC000738459623	581333378	/nfs/dbraw/zinc/33/33/78/581333378.db2.gz	BKOYJEXPMULXIU-CHWSQXEVSA-N	-1	0	293.367	0.590	20	30		CCEDRM
N#Cc1nc(NC(=O)COc2cccnc2)[n-]c1C#N	ZINC000728067390	581346599	/nfs/dbraw/zinc/34/65/99/581346599.db2.gz	LLFIVWPIMSNTKJ-UHFFFAOYSA-N	-1	0	268.236	0.566	20	30		CCEDRM
C[C@H]1C[C@H](C(=O)[N-]S(=O)(=O)CCCC#N)CCC1=O	ZINC000783430324	581347039	/nfs/dbraw/zinc/34/70/39/581347039.db2.gz	SGGWLNAQFRCMBZ-VHSXEESVSA-N	-1	0	286.353	0.741	20	30		CCEDRM
C[C@@H]1C[C@H](C(=O)[N-]S(=O)(=O)CCCC#N)CCC1=O	ZINC000783430319	581347170	/nfs/dbraw/zinc/34/71/70/581347170.db2.gz	SGGWLNAQFRCMBZ-NXEZZACHSA-N	-1	0	286.353	0.741	20	30		CCEDRM
N#Cc1c(F)cccc1-n1cnc(-c2nnn[n-]2)n1	ZINC000737706357	581351814	/nfs/dbraw/zinc/35/18/14/581351814.db2.gz	XBQMTALFKLVWKG-UHFFFAOYSA-N	-1	0	256.204	0.458	20	30		CCEDRM
C[C@H]1C(=O)CC[C@@H]1CC(=O)[N-]S(=O)(=O)CCCC#N	ZINC000796812985	581362912	/nfs/dbraw/zinc/36/29/12/581362912.db2.gz	RELUBEWOMFLZIJ-NXEZZACHSA-N	-1	0	286.353	0.741	20	30		CCEDRM
CC(C)[C@H](F)C(=O)[N-]S(=O)(=O)CC(C)(C)C#N	ZINC000784541282	581387555	/nfs/dbraw/zinc/38/75/55/581387555.db2.gz	OQCTXQVVJHYZNW-QMMMGPOBSA-N	-1	0	264.322	0.976	20	30		CCEDRM
CC(C)(C#N)CC(=O)[N-]S(=O)(=O)C[C@H]1CCCCO1	ZINC000786383301	581438975	/nfs/dbraw/zinc/43/89/75/581438975.db2.gz	KOEFARMITZOCNI-SNVBAGLBSA-N	-1	0	288.369	0.941	20	30		CCEDRM
CC(C)NC(=O)C(C#N)=C([O-])c1ccnc(C#N)c1	ZINC000796629650	581446517	/nfs/dbraw/zinc/44/65/17/581446517.db2.gz	LZLUGGWHEYIXMW-LLVKDONJSA-N	-1	0	256.265	0.800	20	30		CCEDRM
C=C[C@@](C)(CCOC)C(=O)[N-]S(=O)(=O)c1cc[nH]n1	ZINC000796877906	581453032	/nfs/dbraw/zinc/45/30/32/581453032.db2.gz	IZMPRUYNJWVKNO-NSHDSACASA-N	-1	0	287.341	0.443	20	30		CCEDRM
N#Cc1ccc(C(=O)[N-]S(=O)(=O)C[C@H]2CCCO2)o1	ZINC000797056477	581458561	/nfs/dbraw/zinc/45/85/61/581458561.db2.gz	VMVCRQUCZJJZCT-SECBINFHSA-N	-1	0	284.293	0.390	20	30		CCEDRM
C#CCCCCC(=O)[N-]S(=O)(=O)[C@H](C)C(=O)OC	ZINC000797290034	581463712	/nfs/dbraw/zinc/46/37/12/581463712.db2.gz	IJVSSAIFOQDXCB-SECBINFHSA-N	-1	0	275.326	0.188	20	30		CCEDRM
N#Cc1ccc(NCCNC(=O)[C@H]2C[C@H]2C(=O)[O-])nc1	ZINC000739120674	581507997	/nfs/dbraw/zinc/50/79/97/581507997.db2.gz	BZRMYSKKUYTGOV-VHSXEESVSA-N	-1	0	274.280	0.202	20	30		CCEDRM
N#Cc1ccc(NCCNC(=O)[C@@H]2C[C@H]2C(=O)[O-])nc1	ZINC000739120671	581508064	/nfs/dbraw/zinc/50/80/64/581508064.db2.gz	BZRMYSKKUYTGOV-NXEZZACHSA-N	-1	0	274.280	0.202	20	30		CCEDRM
N#Cc1ccsc1NC(=O)COC(=O)[C@H]1C[C@@H]1C(=O)[O-]	ZINC000739142598	581511146	/nfs/dbraw/zinc/51/11/46/581511146.db2.gz	QBKUALHBVFAIQT-YUMQZZPRSA-N	-1	0	294.288	0.822	20	30		CCEDRM
Cn1c(Cl)cnc1/C=C/C(=O)c1cnc([O-])n(C)c1=O	ZINC000752884105	581520430	/nfs/dbraw/zinc/52/04/30/581520430.db2.gz	BNQCVFFRKWMTQG-ONEGZZNKSA-N	-1	0	294.698	0.769	20	30		CCEDRM
CC[C@H](C#N)Oc1cccc(CN=c2nn[n-]n2C)c1	ZINC000733792357	581524332	/nfs/dbraw/zinc/52/43/32/581524332.db2.gz	HCZFQMFUKSLWAD-LLVKDONJSA-N	-1	0	272.312	0.925	20	30		CCEDRM
C=CCCO[C@@H](C)C(=O)[N-]S(=O)(=O)c1ccnn1C	ZINC000765651641	581531473	/nfs/dbraw/zinc/53/14/73/581531473.db2.gz	IRQNUFAVNZIAHV-VIFPVBQESA-N	-1	0	287.341	0.206	20	30		CCEDRM
CCN(CC(=O)OCC(=O)N(C)C(C)(C)C#N)C(=O)[O-]	ZINC000739399997	581547074	/nfs/dbraw/zinc/54/70/74/581547074.db2.gz	PHOROFVVBKWMPB-UHFFFAOYSA-N	-1	0	285.300	0.290	20	30		CCEDRM
CN(C(=O)[O-])[C@H]1CCCN(S(=O)(=O)CCCC#N)C1	ZINC000739588801	581576560	/nfs/dbraw/zinc/57/65/60/581576560.db2.gz	RFGYBZDSGKRWPJ-JTQLQIEISA-N	-1	0	289.357	0.694	20	30		CCEDRM
CC#CCS(=O)(=O)[N-]C(=O)CC[C@@H]1CCOC1	ZINC000788067559	581609903	/nfs/dbraw/zinc/60/99/03/581609903.db2.gz	GWXANZKIUHGKBZ-SNVBAGLBSA-N	-1	0	259.327	0.272	20	30		CCEDRM
C=CCOCC(=O)[N-]S(=O)(=O)N1CCc2ccccc21	ZINC000729903018	581619308	/nfs/dbraw/zinc/61/93/08/581619308.db2.gz	NTPVJUAZGHXMJX-UHFFFAOYSA-N	-1	0	296.348	0.613	20	30		CCEDRM
C=CCOCC(=O)[N-]S(=O)(=O)C[C@H]1CCCCO1	ZINC000729900154	581619380	/nfs/dbraw/zinc/61/93/80/581619380.db2.gz	PHUWBXPSFGAOCQ-SNVBAGLBSA-N	-1	0	277.342	0.204	20	30		CCEDRM
CC#CCCCC(=O)[N-]S(=O)(=O)CCOCCOC	ZINC000768002040	581640375	/nfs/dbraw/zinc/64/03/75/581640375.db2.gz	WHCKRKOPWDFVFE-UHFFFAOYSA-N	-1	0	291.369	0.289	20	30		CCEDRM
C=CCOCC(=O)N1CCC(c2nnn[n-]2)CC1	ZINC000735437655	581647290	/nfs/dbraw/zinc/64/72/90/581647290.db2.gz	NNVDJQDQWWWBRF-UHFFFAOYSA-N	-1	0	251.290	0.108	20	30		CCEDRM
Cc1nn(CCC#N)c(C)c1CCC(=O)N[C@@H](C)C(=O)[O-]	ZINC000740254845	581652555	/nfs/dbraw/zinc/65/25/55/581652555.db2.gz	VDVBSYSOGRAJSP-JTQLQIEISA-N	-1	0	292.339	0.936	20	30		CCEDRM
N#CCOc1ccc(CC(=O)NCCNC(=O)[O-])cc1	ZINC000740305198	581662476	/nfs/dbraw/zinc/66/24/76/581662476.db2.gz	GUPNGLLGILEMEW-UHFFFAOYSA-N	-1	0	277.280	0.515	20	30		CCEDRM
N#CCN(C(=O)CN(C[C@H]1CCCO1)C(=O)[O-])C1CC1	ZINC000740307918	581663450	/nfs/dbraw/zinc/66/34/50/581663450.db2.gz	DCYDJIIHHPEODM-LLVKDONJSA-N	-1	0	281.312	0.660	20	30		CCEDRM
N#CCn1cc(NC(=O)[C@@H]2CCN(C(=O)[O-])C2)cn1	ZINC000740310565	581663886	/nfs/dbraw/zinc/66/38/86/581663886.db2.gz	INVAQWNDDQNWRK-MRVPVSSYSA-N	-1	0	263.257	0.345	20	30		CCEDRM
N#CC1(NC(=O)C2CCC(NC(=O)[O-])CC2)CC1	ZINC000740309491	581664094	/nfs/dbraw/zinc/66/40/94/581664094.db2.gz	JORCTCIZSOADNX-UHFFFAOYSA-N	-1	0	251.286	0.985	20	30		CCEDRM
N#Cc1cnccc1NC(=O)[C@H]1CCN(C(=O)[O-])C1	ZINC000740321451	581665204	/nfs/dbraw/zinc/66/52/04/581665204.db2.gz	ASKKHQFDUBHDKM-QMMMGPOBSA-N	-1	0	260.253	0.314	20	30		CCEDRM
N#Cc1ccc(NCC(=O)N2CC[C@@H](NC(=O)[O-])C2)cc1	ZINC000740316570	581665280	/nfs/dbraw/zinc/66/52/80/581665280.db2.gz	MLIXVLQDLORPCZ-GFCCVEGCSA-N	-1	0	288.307	0.839	20	30		CCEDRM
N#Cc1cccc(NC(=O)COCCNC(=O)[O-])c1	ZINC000740323348	581665638	/nfs/dbraw/zinc/66/56/38/581665638.db2.gz	OOCSHWSIKBWGOY-UHFFFAOYSA-N	-1	0	263.253	0.781	20	30		CCEDRM
COCc1ccc(C(=O)N(CC#N)CC(=O)[O-])cc1	ZINC000737830330	581670906	/nfs/dbraw/zinc/67/09/06/581670906.db2.gz	XVIQQZBXAFNZGB-UHFFFAOYSA-N	-1	0	262.265	0.883	20	30		CCEDRM
C#CCOCCC(=O)[N-]S(=O)(=O)c1ccccc1OC	ZINC000756564688	581671913	/nfs/dbraw/zinc/67/19/13/581671913.db2.gz	GSVPVYVIKDFSSU-UHFFFAOYSA-N	-1	0	297.332	0.540	20	30		CCEDRM
C[C@@H](C#N)NC(=O)CN(C[C@@H]1CCCO1)C(=O)[O-]	ZINC000738605376	581686249	/nfs/dbraw/zinc/68/62/49/581686249.db2.gz	UXEKBRKQFJIKDC-IUCAKERBSA-N	-1	0	255.274	0.174	20	30		CCEDRM
C#CCN1CCC[C@H]1C(=O)NCCSCCC(=O)[O-]	ZINC000736079434	581686748	/nfs/dbraw/zinc/68/67/48/581686748.db2.gz	MNZHPTMJTBVRNI-NSHDSACASA-N	-1	0	284.381	0.408	20	30		CCEDRM
C#CCNC(=O)[C@H](C)OC(=O)c1ccccc1C(=O)[O-]	ZINC000736079388	581687037	/nfs/dbraw/zinc/68/70/37/581687037.db2.gz	LXPAOIIXPINEIY-VIFPVBQESA-N	-1	0	275.260	0.680	20	30		CCEDRM
CNC(=O)C(C#N)=C([O-])c1ccnc(N2CCCCC2)n1	ZINC000740536317	581693069	/nfs/dbraw/zinc/69/30/69/581693069.db2.gz	RMWKUBKTPYUPBE-JTQLQIEISA-N	-1	0	287.323	0.535	20	30		CCEDRM
C#CCN(CC)C(=O)N[C@@H]1CCCN(C(=O)[O-])C1	ZINC000736076250	581694655	/nfs/dbraw/zinc/69/46/55/581694655.db2.gz	CTHPAHGUUCRXML-SNVBAGLBSA-N	-1	0	253.302	0.794	20	30		CCEDRM
C=CCNC(=O)CN[C@@H](C(=O)[O-])c1ccc(OC)cc1	ZINC000736105882	581696705	/nfs/dbraw/zinc/69/67/05/581696705.db2.gz	NNSHPCZALBLAPO-CYBMUJFWSA-N	-1	0	278.308	0.713	20	30		CCEDRM
C=CCN(CC=C)C(=O)COC(=O)[C@H]1C[C@H]1C(=O)[O-]	ZINC000736107937	581697735	/nfs/dbraw/zinc/69/77/35/581697735.db2.gz	BCWFMYMRKPNCIJ-ZJUUUORDSA-N	-1	0	267.281	0.451	20	30		CCEDRM
C#CCOc1ccccc1CNC(=O)CN(C)C(=O)[O-]	ZINC000736087792	581700460	/nfs/dbraw/zinc/70/04/60/581700460.db2.gz	KOHXCSPQUAFKBW-UHFFFAOYSA-N	-1	0	276.292	0.925	20	30		CCEDRM
CC(=O)N(C)CC(=O)O[C@H](C(=O)[O-])c1ccc(C#N)cc1	ZINC000736123699	581704800	/nfs/dbraw/zinc/70/48/00/581704800.db2.gz	MLFLXCMPVFEMEE-ZDUSSCGKSA-N	-1	0	290.275	0.705	20	30		CCEDRM
C#CCCCNC(=O)Cc1c(C)nc2cc[n-]n2c1=O	ZINC000742787057	581795170	/nfs/dbraw/zinc/79/51/70/581795170.db2.gz	FIZVOEQZOVPLNT-UHFFFAOYSA-N	-1	0	272.308	0.403	20	30		CCEDRM
C[C@@H](CNC(=O)CNc1ccc(C#N)cc1)C(=O)[O-]	ZINC000736594813	581801392	/nfs/dbraw/zinc/80/13/92/581801392.db2.gz	AXFALSJOMCOOJQ-VIFPVBQESA-N	-1	0	261.281	0.807	20	30		CCEDRM
CC#CCCOC(=O)Cc1c(C)nc2cc[n-]n2c1=O	ZINC000760284309	581852856	/nfs/dbraw/zinc/85/28/56/581852856.db2.gz	NUGMGANRCRVXBF-UHFFFAOYSA-N	-1	0	273.292	0.830	20	30		CCEDRM
CCCCCNC(=O)[C@H](C#N)C(=O)CCNC(=O)[O-]	ZINC000736990384	581880353	/nfs/dbraw/zinc/88/03/53/581880353.db2.gz	IINBNPKTRSIPDU-SECBINFHSA-N	-1	0	269.301	0.659	20	30		CCEDRM
C=CCS(=O)(=O)[N-]C(=O)Cc1cn2ccccc2n1	ZINC000772711026	581884949	/nfs/dbraw/zinc/88/49/49/581884949.db2.gz	RLIXALIPHSUUJA-UHFFFAOYSA-N	-1	0	279.321	0.509	20	30		CCEDRM
C=CCS(=O)(=O)[N-]C(=O)c1ccc(NC(N)=O)cc1	ZINC000772712693	581885373	/nfs/dbraw/zinc/88/53/73/581885373.db2.gz	DVGLULJHDCAEBD-UHFFFAOYSA-N	-1	0	283.309	0.423	20	30		CCEDRM
CCN(CC#N)Cc1noc(CCCC(=O)[O-])n1	ZINC000737067119	581895028	/nfs/dbraw/zinc/89/50/28/581895028.db2.gz	HBHQWQDBOQFQHH-UHFFFAOYSA-N	-1	0	252.274	0.822	20	30		CCEDRM
CCN(C[C@@H](C)C#N)C(=O)CN1CCC[C@@H]1C(=O)[O-]	ZINC000737078731	581897722	/nfs/dbraw/zinc/89/77/22/581897722.db2.gz	RHQIVDSTYMYTBW-WDEREUQCSA-N	-1	0	267.329	0.544	20	30		CCEDRM
C=CCOCCCC(=O)N1CCSC[C@@H]1c1nnn[n-]1	ZINC000773152819	581911159	/nfs/dbraw/zinc/91/11/59/581911159.db2.gz	NPYBRYFJEWQAEU-SNVBAGLBSA-N	-1	0	297.384	0.799	20	30		CCEDRM
CCOC(=O)N1CCC[C@@H](C(=O)N(CC#N)CC(=O)[O-])C1	ZINC000737146038	581913991	/nfs/dbraw/zinc/91/39/91/581913991.db2.gz	LAHTVHFYGJNHJV-SNVBAGLBSA-N	-1	0	297.311	0.292	20	30		CCEDRM
CN1CC[C@@H](C(=O)Nc2cc(C#N)ccc2[O-])C1=O	ZINC000773499535	581930004	/nfs/dbraw/zinc/93/00/04/581930004.db2.gz	ALIVMYUTGFVMAO-VIFPVBQESA-N	-1	0	259.265	0.681	20	30		CCEDRM
C=CCCOCC(=O)[N-]S(=O)(=O)C[C@@H]1CCOC1	ZINC000762133552	581932579	/nfs/dbraw/zinc/93/25/79/581932579.db2.gz	PDDQJIVUPBOEKJ-SNVBAGLBSA-N	-1	0	277.342	0.062	20	30		CCEDRM
CC(C)S(=O)(=O)NN=C1CCC(NC(=O)[O-])CC1	ZINC000738869526	581946114	/nfs/dbraw/zinc/94/61/14/581946114.db2.gz	JYPVXVGWAGDHOE-UHFFFAOYSA-N	-1	0	277.346	0.880	20	30		CCEDRM
COC(=O)c1ccc(C=NNc2nnc(C)c(=O)[n-]2)[nH]1	ZINC000747627523	581947076	/nfs/dbraw/zinc/94/70/76/581947076.db2.gz	GPHMDEVXHJMJRR-UHFFFAOYSA-N	-1	0	276.256	0.446	20	30		CCEDRM
CN(C)C(=O)CN[C@@H](C(=O)[O-])c1ccc(C#N)cc1	ZINC000737349858	581947475	/nfs/dbraw/zinc/94/74/75/581947475.db2.gz	IFNBWOFCAIWIGV-GFCCVEGCSA-N	-1	0	261.281	0.362	20	30		CCEDRM
C#CCSCCNC(=O)[C@H]1CCCN(C(=O)[O-])C1	ZINC000737495359	581965277	/nfs/dbraw/zinc/96/52/77/581965277.db2.gz	CHJZVZYXJBJFIM-JTQLQIEISA-N	-1	0	270.354	0.859	20	30		CCEDRM
C=CCS(=O)(=O)[N-]C(=O)c1ccc(N2CCCC2)nc1	ZINC000774253246	581966716	/nfs/dbraw/zinc/96/67/16/581966716.db2.gz	ZMYDEOCEOFHLCY-UHFFFAOYSA-N	-1	0	295.364	0.927	20	30		CCEDRM
O=C(NCC#CCO)c1ccc2c(=O)[nH]c(=S)[n-]c2c1	ZINC000774294199	581969535	/nfs/dbraw/zinc/96/95/35/581969535.db2.gz	VLPYYXLDYPMOJG-UHFFFAOYSA-N	-1	0	289.316	0.350	20	30		CCEDRM
C[C@@](C#N)(NC(=O)CN1CCCC[C@@H]1C(=O)[O-])C1CC1	ZINC000737560255	581979568	/nfs/dbraw/zinc/97/95/68/581979568.db2.gz	PPTTXVGHIDUILG-RISCZKNCSA-N	-1	0	279.340	0.734	20	30		CCEDRM
COC(=O)CN(CCOc1cccc(C#N)c1)CC(=O)[O-]	ZINC000737620499	581992610	/nfs/dbraw/zinc/99/26/10/581992610.db2.gz	ZRPMXDHNEOCASZ-UHFFFAOYSA-N	-1	0	292.291	0.497	20	30		CCEDRM
C=CCCOCC(=O)[N-]S(=O)(=O)c1cnn(CC)c1	ZINC000749216022	581999697	/nfs/dbraw/zinc/99/96/97/581999697.db2.gz	FFFZGALDTCKCLY-UHFFFAOYSA-N	-1	0	287.341	0.301	20	30		CCEDRM
C[C@@H](Oc1ccc(C#N)cc1)C(=O)OCc1n[nH]c(=O)[n-]1	ZINC000774902643	582001646	/nfs/dbraw/zinc/00/16/46/582001646.db2.gz	WCPLXDIWVMAPAN-MRVPVSSYSA-N	-1	0	288.263	0.893	20	30		CCEDRM
CO[C@H](C)CS(=O)(=O)[N-]C(=O)c1ccc(C#N)cc1C	ZINC000764180830	582034507	/nfs/dbraw/zinc/03/45/07/582034507.db2.gz	MUGFXWYGDGDJMR-SNVBAGLBSA-N	-1	0	296.348	0.961	20	30		CCEDRM
Cc1cc2nc(C)cc(C(=O)N(CC#N)CC(=O)[O-])n2n1	ZINC000738320470	582035776	/nfs/dbraw/zinc/03/57/76/582035776.db2.gz	UFHUVISKMXOLTQ-UHFFFAOYSA-N	-1	0	287.279	0.397	20	30		CCEDRM
C#CCOc1ccccc1NC(=O)c1cnc([O-])n(C)c1=O	ZINC000775946087	582047160	/nfs/dbraw/zinc/04/71/60/582047160.db2.gz	LIURXICVXOEMLC-UHFFFAOYSA-N	-1	0	299.286	0.750	20	30		CCEDRM
COCCNC(=O)C(C#N)=C([O-])c1ccn(C(F)F)n1	ZINC000776078291	582050624	/nfs/dbraw/zinc/05/06/24/582050624.db2.gz	XDZAGYBHOOFYNF-SSDOTTSWSA-N	-1	0	286.238	0.363	20	30		CCEDRM
C#CCCN1CCN(C(=O)[C@@H]2CCN(C(=O)[O-])C2)CC1	ZINC000738456903	582052598	/nfs/dbraw/zinc/05/25/98/582052598.db2.gz	FFJGHGXMYZYWEL-GFCCVEGCSA-N	-1	0	279.340	0.154	20	30		CCEDRM
CC[C@H]1CC[C@@H](C(=O)[N-]S(=O)(=O)CCCC#N)O1	ZINC000776122984	582052905	/nfs/dbraw/zinc/05/29/05/582052905.db2.gz	VXGCDXFOVIHFOA-UWVGGRQHSA-N	-1	0	274.342	0.694	20	30		CCEDRM
C#CCNC(=O)C1(NC(=O)[O-])Cc2ccccc2C1	ZINC000738462087	582053190	/nfs/dbraw/zinc/05/31/90/582053190.db2.gz	WKJVXBGETXVBLP-UHFFFAOYSA-N	-1	0	258.277	0.541	20	30		CCEDRM
C#CCNC(=O)N[C@H](C)[C@H]1CCCN(C(=O)[O-])C1	ZINC000738463118	582053897	/nfs/dbraw/zinc/05/38/97/582053897.db2.gz	NEKFWRCIJXTQEC-ZJUUUORDSA-N	-1	0	253.302	0.697	20	30		CCEDRM
C=CCNC(=O)C[N@H+]1CC[C@H](CN(C)C(=O)[O-])C1	ZINC000738494883	582055448	/nfs/dbraw/zinc/05/54/48/582055448.db2.gz	GFTIPEDOOGLGDF-SNVBAGLBSA-N	-1	0	255.318	0.220	20	30		CCEDRM
C=CCNC(=O)[C@H](C#N)C(=O)CC(C)(C)NC(=O)[O-]	ZINC000738491458	582055806	/nfs/dbraw/zinc/05/58/06/582055806.db2.gz	IJNZICWRYAZIBU-MRVPVSSYSA-N	-1	0	267.285	0.434	20	30		CCEDRM
Cn1ccnc1C([O-])=C(C#N)C(=O)[C@@H]1C[C@]12CCOC2	ZINC000764781588	582068626	/nfs/dbraw/zinc/06/86/26/582068626.db2.gz	DWYRJQWUZCDTSO-BFVZDQMLSA-N	-1	0	273.292	0.738	20	30		CCEDRM
C=CC[C@@H](NS(=O)(=O)c1cccc2nonc21)C(=O)[O-]	ZINC000776442193	582073367	/nfs/dbraw/zinc/07/33/67/582073367.db2.gz	AMAIQMFAHRNGQN-MRVPVSSYSA-N	-1	0	297.292	0.530	20	30		CCEDRM
CC(C)(CNC(=O)[O-])NC(=O)c1ccc(C#N)cn1	ZINC000738752927	582073745	/nfs/dbraw/zinc/07/37/45/582073745.db2.gz	VPWZBYLJEMPCDZ-UHFFFAOYSA-N	-1	0	262.269	0.729	20	30		CCEDRM
CC(C)[C@H](CNC(=O)CSCC#N)NC(=O)[O-]	ZINC000738775666	582075570	/nfs/dbraw/zinc/07/55/70/582075570.db2.gz	CGJBJERHHGMQFK-QMMMGPOBSA-N	-1	0	259.331	0.652	20	30		CCEDRM
CC[C@H](CNS(=O)(=O)CCCCC#N)C(=O)[O-]	ZINC000776539445	582076800	/nfs/dbraw/zinc/07/68/00/582076800.db2.gz	WHLKMOFVCGSOGO-SECBINFHSA-N	-1	0	262.331	0.710	20	30		CCEDRM
C[C@@H]1C[C@H](C(=O)[N-]S(=O)(=O)CCCC#N)CCO1	ZINC000776560868	582077777	/nfs/dbraw/zinc/07/77/77/582077777.db2.gz	UCLZGMDEKLHWRC-NXEZZACHSA-N	-1	0	274.342	0.551	20	30		CCEDRM
N#CCCCCS(=O)(=O)N[C@@H](CC(=O)[O-])C1CC1	ZINC000776578879	582079353	/nfs/dbraw/zinc/07/93/53/582079353.db2.gz	ZIOAWXJAGNSQSS-JTQLQIEISA-N	-1	0	274.342	0.853	20	30		CCEDRM
N#C[C@@H](C(=O)CCNC(=O)[O-])C(=O)Nc1ccccn1	ZINC000739074223	582101333	/nfs/dbraw/zinc/10/13/33/582101333.db2.gz	HIZNRBDSUPFTMQ-QMMMGPOBSA-N	-1	0	276.252	0.387	20	30		CCEDRM
C=C(Br)COC(=O)[C@@H]1COCCN1C(=O)[O-]	ZINC000823474976	613238953	/nfs/dbraw/zinc/23/89/53/613238953.db2.gz	SJWWLCUMCJKEOR-ZETCQYMHSA-N	-1	0	294.101	0.817	20	30		CCEDRM
CCS(=O)(CC)=NS(=O)(=O)[N-][C@H](C#N)C(C)C	ZINC000903116273	615358209	/nfs/dbraw/zinc/35/82/09/615358209.db2.gz	GBCDYKZZPWCCGL-SECBINFHSA-N	-1	0	281.403	0.877	20	30		CCEDRM
CC[S@@](C)(=O)=NS(=O)(=O)[N-]CC1(C#N)CCC1	ZINC000867415365	616010634	/nfs/dbraw/zinc/01/06/34/616010634.db2.gz	DKXISESNJFWEMS-MRXNPFEDSA-N	-1	0	279.387	0.632	20	30		CCEDRM
N#CCCn1ccc(NC(=O)N2CC[C@@H](C(=O)[O-])C2)n1	ZINC000819091204	596913770	/nfs/dbraw/zinc/91/37/70/596913770.db2.gz	SITRPIWRVWDTOD-SECBINFHSA-N	-1	0	277.284	0.735	20	30		CCEDRM
Cn1cc(C#N)c(NC(=O)NC2(C(=O)[O-])CCCC2)n1	ZINC000819063534	597211155	/nfs/dbraw/zinc/21/11/55/597211155.db2.gz	BYMQVZQEIDGFSB-UHFFFAOYSA-N	-1	0	277.284	0.811	20	30		CCEDRM
C#CCOCCNC(=O)N1C[C@H](C(=O)[O-])C[C@H](C)C1	ZINC000817876447	612986593	/nfs/dbraw/zinc/98/65/93/612986593.db2.gz	LDTGFMUHTHPMKX-WDEREUQCSA-N	-1	0	268.313	0.388	20	30		CCEDRM
C[C@@](C#N)(CC(=O)[O-])C(=O)N1CCN2C(=O)OCC[C@H]2C1	ZINC000819822436	597605882	/nfs/dbraw/zinc/60/58/82/597605882.db2.gz	NVDMAVVMYUJRRI-ZANVPECISA-N	-1	0	295.295	0.044	20	30		CCEDRM
C[C@](C#N)(CC(=O)[O-])C(=O)NC[C@@H]1COC2(CCCC2)O1	ZINC000819834199	597607099	/nfs/dbraw/zinc/60/70/99/597607099.db2.gz	LPXYRHATGAKSIL-ZWNOBZJWSA-N	-1	0	296.323	0.793	20	30		CCEDRM
C[C@@H]1C[C@@H](NC(=O)[C@](C)(C#N)CC(=O)[O-])CCO1	ZINC000820228887	597607826	/nfs/dbraw/zinc/60/78/26/597607826.db2.gz	WPYKSBXMPCWFFS-PTRXPTGYSA-N	-1	0	254.286	0.675	20	30		CCEDRM
C[C@@](C#N)(CC(=O)[O-])C(=O)OC[C@@H]1COC(=O)O1	ZINC000819865490	597615466	/nfs/dbraw/zinc/61/54/66/597615466.db2.gz	LTDKLQGTPSMWFL-LDWIPMOCSA-N	-1	0	257.198	0.070	20	30		CCEDRM
Cc1nccn1CCOC(=O)[C@@](C)(C#N)CC(=O)[O-]	ZINC000821196750	597616492	/nfs/dbraw/zinc/61/64/92/597616492.db2.gz	MKUHGHLDXZVFLQ-GFCCVEGCSA-N	-1	0	265.269	0.739	20	30		CCEDRM
Cc1nnc([C@H](C)OC(=O)[C@@](C)(C#N)CC(=O)[O-])o1	ZINC000821216876	597617880	/nfs/dbraw/zinc/61/78/80/597617880.db2.gz	RIPPJPFZKPOHFK-UPONEAKYSA-N	-1	0	267.241	0.987	20	30		CCEDRM
C[C@](C#N)(CC(=O)[O-])C(=O)OCCn1ccccc1=O	ZINC000819874846	597619646	/nfs/dbraw/zinc/61/96/46/597619646.db2.gz	RHSWAHKVRGOEDS-CYBMUJFWSA-N	-1	0	278.264	0.396	20	30		CCEDRM
C[C@](C#N)(CC(=O)[O-])C(=O)NCCCN1CCCC1=O	ZINC000819835441	597628174	/nfs/dbraw/zinc/62/81/74/597628174.db2.gz	USIHPUCELYLLFG-CYBMUJFWSA-N	-1	0	281.312	0.120	20	30		CCEDRM
C[C@](C#N)(CC(=O)[O-])C(=O)Nc1n[nH]c(C(F)(F)F)n1	ZINC000819866428	597631907	/nfs/dbraw/zinc/63/19/07/597631907.db2.gz	WTLGQHJTXOXJDC-MRVPVSSYSA-N	-1	0	291.189	0.767	20	30		CCEDRM
C[C@](C#N)(CC(=O)[O-])C(=O)NCc1nccs1	ZINC000819848146	597634862	/nfs/dbraw/zinc/63/48/62/597634862.db2.gz	QNFMVLSDQMKMES-SNVBAGLBSA-N	-1	0	253.283	0.764	20	30		CCEDRM
Cc1noc(CCCNC(=O)[C@](C)(C#N)CC(=O)[O-])n1	ZINC000821235672	597643763	/nfs/dbraw/zinc/64/37/63/597643763.db2.gz	KDLLIXZOKULIIU-LBPRGKRZSA-N	-1	0	280.284	0.431	20	30		CCEDRM
C[C@](C#N)(CC(=O)[O-])C(=O)NC[C@H]1CCC[C@@H](O)C1	ZINC000819833552	597649662	/nfs/dbraw/zinc/64/96/62/597649662.db2.gz	HSELSUJYGCASDL-OPQQBVKSSA-N	-1	0	268.313	0.658	20	30		CCEDRM
Cc1ocnc1CNC(=O)[C@@](C)(C#N)CC(=O)[O-]	ZINC000821257129	597660868	/nfs/dbraw/zinc/66/08/68/597660868.db2.gz	JARJNAKDVUHBJV-LLVKDONJSA-N	-1	0	251.242	0.604	20	30		CCEDRM
O=C([O-])CCNN=Cc1cnc(N2CCCC2)nc1	ZINC000821524977	597742570	/nfs/dbraw/zinc/74/25/70/597742570.db2.gz	UNUKTLFTKFORMH-UHFFFAOYSA-N	-1	0	263.301	0.475	20	30		CCEDRM
C[C@](C#N)(CC(=O)[O-])C(=O)N1CCC2(COC(=O)N2)CC1	ZINC000819810921	597814436	/nfs/dbraw/zinc/81/44/36/597814436.db2.gz	HUOYPKSALNYKQX-GFCCVEGCSA-N	-1	0	295.295	0.092	20	30		CCEDRM
N#CCCn1ccc(NC(=O)N2CCC[C@@H]2C(=O)[O-])n1	ZINC000821324848	598207110	/nfs/dbraw/zinc/20/71/10/598207110.db2.gz	SGICAYBQUFVOCS-SECBINFHSA-N	-1	0	277.284	0.878	20	30		CCEDRM
Cc1nnc(NC(=O)[C@@](C)(C#N)CC(=O)[O-])s1	ZINC000821224981	598222268	/nfs/dbraw/zinc/22/22/68/598222268.db2.gz	OUIQVVUXHFIMNW-SECBINFHSA-N	-1	0	254.271	0.790	20	30		CCEDRM
C[C@](C#N)(CC(=O)[O-])C(=O)NCCNC(=O)c1ccco1	ZINC000819842862	598223055	/nfs/dbraw/zinc/22/30/55/598223055.db2.gz	VWTFQTIUROEGTL-CYBMUJFWSA-N	-1	0	293.279	0.130	20	30		CCEDRM
C[C@H](NC(=O)[C@](C)(C#N)CC(=O)[O-])[C@H]1CCCO1	ZINC000820113800	598223656	/nfs/dbraw/zinc/22/36/56/598223656.db2.gz	GRNBATUIVRRGPU-SBMIAAHKSA-N	-1	0	254.286	0.675	20	30		CCEDRM
C[C@@](C#N)(CC(=O)[O-])C(=O)Nc1nnc2ccccn21	ZINC000819865867	598223907	/nfs/dbraw/zinc/22/39/07/598223907.db2.gz	PAOVIBLLYDMHIL-LBPRGKRZSA-N	-1	0	273.252	0.672	20	30		CCEDRM
C[C@](C#N)(CC(=O)[O-])C(=O)N[C@@H]1CCc2nccn2C1	ZINC000819835519	598226003	/nfs/dbraw/zinc/22/60/03/598226003.db2.gz	WBLFJKXBWUHSNQ-NOZJJQNGSA-N	-1	0	276.296	0.319	20	30		CCEDRM
Cc1noc(C)c1CCNC(=O)[C@@](C)(C#N)CC(=O)[O-]	ZINC000821235270	598227166	/nfs/dbraw/zinc/22/71/66/598227166.db2.gz	CPBRWYQMOOGCPB-CYBMUJFWSA-N	-1	0	279.296	0.955	20	30		CCEDRM
N#CCN(CC(=O)[O-])C[C@@H](O)COc1ccc(Cl)cc1	ZINC000833066929	601226968	/nfs/dbraw/zinc/22/69/68/601226968.db2.gz	LWBYIOZQOYSEDK-LLVKDONJSA-N	-1	0	298.726	0.990	20	30		CCEDRM
C#CCO[C@@H](C)C(=O)N[C@@H](C(=O)[O-])c1cccnc1	ZINC000910992030	612996980	/nfs/dbraw/zinc/99/69/80/612996980.db2.gz	MUYGQGYLGUUJIU-GXSJLCMTSA-N	-1	0	262.265	0.362	20	30		CCEDRM
Cc1[nH]nc(C(=O)N(C)C2CCC(NCC#N)CC2)c1[O-]	ZINC000963246288	649909789	/nfs/dbraw/zinc/90/97/89/649909789.db2.gz	AZYAMHRNJRBUSM-UHFFFAOYSA-N	-1	0	291.355	0.920	20	30		CCEDRM
C#CCO[C@H](C)C(=O)Nc1ncc(CC(=O)[O-])s1	ZINC000910669268	613003903	/nfs/dbraw/zinc/00/39/03/613003903.db2.gz	BCDXZXYORDFZIW-SSDOTTSWSA-N	-1	0	268.294	0.747	20	30		CCEDRM
O=C([O-])c1ccc(O)c(C=NN[C@H]2CCS(=O)(=O)C2)c1	ZINC000740154389	599906040	/nfs/dbraw/zinc/90/60/40/599906040.db2.gz	AIQYSBUUEFVELT-JTQLQIEISA-N	-1	0	298.320	0.201	20	30		CCEDRM
N#Cc1cc([N+](=O)[O-])cnc1N1CCO[C@@H](C(=O)[O-])C1	ZINC000050442199	599958855	/nfs/dbraw/zinc/95/88/55/599958855.db2.gz	FNTIYIBNBIAMCQ-SECBINFHSA-N	-1	0	278.224	0.151	20	30		CCEDRM
C#CC(C)(C)NS(=O)(=O)c1ccc(OCC(=O)[O-])cc1	ZINC000070118950	600399639	/nfs/dbraw/zinc/39/96/39/600399639.db2.gz	PNQJIPJAIFXYCK-UHFFFAOYSA-N	-1	0	297.332	0.840	20	30		CCEDRM
N#CCSCC(=O)N[C@H](C(=O)[O-])c1ccccn1	ZINC000833068205	600904948	/nfs/dbraw/zinc/90/49/48/600904948.db2.gz	SLCSZJARQFYNKS-JTQLQIEISA-N	-1	0	265.294	0.580	20	30		CCEDRM
N#Cc1ccc(C(=O)N[C@H](C(=O)[O-])c2ccccn2)nc1	ZINC000833070716	600916221	/nfs/dbraw/zinc/91/62/21/600916221.db2.gz	SFLVUONBHUGWKE-LBPRGKRZSA-N	-1	0	282.259	0.904	20	30		CCEDRM
N#CCN(CCC(=O)NCC1CCCCC1)CC(=O)[O-]	ZINC000833067191	601005356	/nfs/dbraw/zinc/00/53/56/601005356.db2.gz	RMTFTFIBZJFMSL-UHFFFAOYSA-N	-1	0	281.356	0.983	20	30		CCEDRM
Cn1cc(C#N)c(NC(=O)N2CCC(C(=O)[O-])CC2)n1	ZINC000819063860	601137709	/nfs/dbraw/zinc/13/77/09/601137709.db2.gz	QWDBKLRLYSDZQI-UHFFFAOYSA-N	-1	0	277.284	0.620	20	30		CCEDRM
N#CCN(CCOc1ccc([N+](=O)[O-])cc1)CC(=O)[O-]	ZINC000833066607	601226378	/nfs/dbraw/zinc/22/63/78/601226378.db2.gz	COEFUAXABKAONS-UHFFFAOYSA-N	-1	0	279.252	0.884	20	30		CCEDRM
Cc1nc(C)c(S(=O)(=O)N(CC#N)CC(=O)[O-])s1	ZINC000832996342	601257086	/nfs/dbraw/zinc/25/70/86/601257086.db2.gz	ZSIAURMGRPLFIR-UHFFFAOYSA-N	-1	0	289.338	0.359	20	30		CCEDRM
N#Cc1ccc(C(=O)N2CCO[C@H](C(=O)[O-])C2)s1	ZINC000819095592	601282850	/nfs/dbraw/zinc/28/28/50/601282850.db2.gz	DDQBIQIAYZQQSG-QMMMGPOBSA-N	-1	0	266.278	0.545	20	30		CCEDRM
C[C@@H](NC(=O)Cn1cc(C(=O)[O-])nn1)c1cccc(C#N)c1	ZINC000827646283	601290935	/nfs/dbraw/zinc/29/09/35/601290935.db2.gz	PSQAIIPUJFJMFK-SECBINFHSA-N	-1	0	299.290	0.725	20	30		CCEDRM
C[C@H](NC(=O)Cn1cc(C(=O)[O-])nn1)c1cccc(C#N)c1	ZINC000827646286	601290979	/nfs/dbraw/zinc/29/09/79/601290979.db2.gz	PSQAIIPUJFJMFK-VIFPVBQESA-N	-1	0	299.290	0.725	20	30		CCEDRM
N#Cc1ccccc1S(=O)(=O)N1CC[C@@](F)(C(=O)[O-])C1	ZINC000833076573	601391877	/nfs/dbraw/zinc/39/18/77/601391877.db2.gz	JFAYDIIYAUQEOR-LBPRGKRZSA-N	-1	0	298.295	0.746	20	30		CCEDRM
N#CCN1CCC(CNC(=O)[C@H]2C[C@H]2C(=O)[O-])CC1	ZINC000833067489	601439026	/nfs/dbraw/zinc/43/90/26/601439026.db2.gz	VSTBKZYIJUIFOL-WDEREUQCSA-N	-1	0	265.313	0.059	20	30		CCEDRM
N#CCCCS(=O)(=O)NC1(CC(=O)[O-])CCC1	ZINC000833065753	601443771	/nfs/dbraw/zinc/44/37/71/601443771.db2.gz	LATJWNLXHBWCAJ-UHFFFAOYSA-N	-1	0	260.315	0.607	20	30		CCEDRM
Cn1cc(S(=O)(=O)N[C@@H]2CCC[C@H]2C#N)cc1C(=O)[O-]	ZINC000061890068	601477297	/nfs/dbraw/zinc/47/72/97/601477297.db2.gz	RIVUKJHGAQEKFO-WCBMZHEXSA-N	-1	0	297.336	0.694	20	30		CCEDRM
N#CCCN(CCC#N)C(=O)CN1CC[C@](F)(C(=O)[O-])C1	ZINC000833065691	601551005	/nfs/dbraw/zinc/55/10/05/601551005.db2.gz	KAQSGBPKZYKFEW-CYBMUJFWSA-N	-1	0	296.302	0.141	20	30		CCEDRM
N#Cc1ccccc1OCC(=O)N1CCOC[C@@H]1C(=O)[O-]	ZINC000088374279	601606130	/nfs/dbraw/zinc/60/61/30/601606130.db2.gz	RQRDOXFTDXDOCV-LLVKDONJSA-N	-1	0	290.275	0.249	20	30		CCEDRM
NC(=O)c1ccc(N=NCc2ccc(C(=O)[O-])o2)nn1	ZINC000833085991	601627321	/nfs/dbraw/zinc/62/73/21/601627321.db2.gz	DYOFQFMZKSIULO-UHFFFAOYSA-N	-1	0	275.224	0.313	20	30		CCEDRM
N#CCN(CC(=O)[O-])C(=O)Cc1ccn(-c2ccccc2)n1	ZINC000833066466	601673579	/nfs/dbraw/zinc/67/35/79/601673579.db2.gz	ZRAQYBZXQJUZOD-UHFFFAOYSA-N	-1	0	298.302	0.852	20	30		CCEDRM
N#CCN(CC(=O)[O-])C(=O)c1ccc(-n2cccc2)nc1	ZINC000833066458	601804963	/nfs/dbraw/zinc/80/49/63/601804963.db2.gz	ZHRRQANUBWUOKI-UHFFFAOYSA-N	-1	0	284.275	0.923	20	30		CCEDRM
C#CCCCCNS(=O)(=O)CC1(CC(=O)[O-])CC1	ZINC000825605823	602123198	/nfs/dbraw/zinc/12/31/98/602123198.db2.gz	RLTOPHWBNWTUDS-UHFFFAOYSA-N	-1	0	273.354	0.964	20	30		CCEDRM
Cc1cccc(S(=O)(=O)NCC#N)c1C(=O)[O-]	ZINC000832972966	602154184	/nfs/dbraw/zinc/15/41/84/602154184.db2.gz	RWYCHSUDVJBJBI-UHFFFAOYSA-N	-1	0	254.267	0.495	20	30		CCEDRM
C[C@@H](CC(=O)[O-])C(=O)Nc1ccn(CCC#N)n1	ZINC000827317407	602166256	/nfs/dbraw/zinc/16/62/56/602166256.db2.gz	LXEAZBJIBVKRLH-QMMMGPOBSA-N	-1	0	250.258	0.846	20	30		CCEDRM
C[C@@H](CC(=O)[O-])C(=O)[C@@H](C#N)C(=O)N1CCCC1	ZINC000827241380	602181348	/nfs/dbraw/zinc/18/13/48/602181348.db2.gz	WLOUPFWKWMXYIL-DTWKUNHWSA-N	-1	0	252.270	0.428	20	30		CCEDRM
C[C@H](CC(=O)[O-])C(=O)[C@H](C#N)C(=O)Nc1ccccn1	ZINC000827241801	602184853	/nfs/dbraw/zinc/18/48/53/602184853.db2.gz	YOMCVYBFDHVTFQ-BDAKNGLRSA-N	-1	0	275.264	0.840	20	30		CCEDRM
COc1cc(C=NNCCC(=O)[O-])cc2c1OCO2	ZINC000820763863	617179134	/nfs/dbraw/zinc/17/91/34/617179134.db2.gz	IEZICINOQQMGRR-UHFFFAOYSA-N	-1	0	266.253	0.822	20	30		CCEDRM
Cc1c(C(=O)[O-])cccc1S(=O)(=O)NCC#N	ZINC000113457485	602387091	/nfs/dbraw/zinc/38/70/91/602387091.db2.gz	SYOFVQXWRGPTHP-UHFFFAOYSA-N	-1	0	254.267	0.495	20	30		CCEDRM
CN(CCCC(=O)NC[C@H]1CCCN(CC#N)C1)C(=O)[O-]	ZINC000739668945	603059358	/nfs/dbraw/zinc/05/93/58/603059358.db2.gz	CGAFPWWFUXIRMR-GFCCVEGCSA-N	-1	0	296.371	0.728	20	30		CCEDRM
C#CCNC(=O)[C@H](C)OC(=O)[C@@H](NC(=O)[O-])[C@@H](C)CC	ZINC000823456862	612950757	/nfs/dbraw/zinc/95/07/57/612950757.db2.gz	RBRGGMZZMUCLLM-GUBZILKMSA-N	-1	0	284.312	0.350	20	30		CCEDRM
Cn1cc(C#N)cc1C(=O)N1CCC[C@H]1CNC(=O)[O-]	ZINC000830985827	603544823	/nfs/dbraw/zinc/54/48/23/603544823.db2.gz	YKFGJDNLZQGVNT-JTQLQIEISA-N	-1	0	276.296	0.769	20	30		CCEDRM
C[C@H](C#N)NC(=O)[C@@H]1[C@@H](C)OC(C)(C)N1C(=O)[O-]	ZINC000823647430	603699518	/nfs/dbraw/zinc/69/95/18/603699518.db2.gz	LGCCJUAPUGZDJQ-PRJMDXOYSA-N	-1	0	255.274	0.518	20	30		CCEDRM
N#C[C@H]1CN(C(=O)[O-])CCN1CC(=O)N1CCCCCC1	ZINC000831091579	603726395	/nfs/dbraw/zinc/72/63/95/603726395.db2.gz	IEVYQIYBKQCXPJ-LBPRGKRZSA-N	-1	0	294.355	0.577	20	30		CCEDRM
N#C[C@H]1CN(C(=O)[O-])CCN1CC(=O)N1CCCCC1	ZINC000831092115	603728313	/nfs/dbraw/zinc/72/83/13/603728313.db2.gz	QAJQVEPXZYAALL-NSHDSACASA-N	-1	0	280.328	0.187	20	30		CCEDRM
N#Cc1ccc(C(=O)O[C@H]2CN(C(=O)[O-])CCC2=O)cn1	ZINC000831122679	603832825	/nfs/dbraw/zinc/83/28/25/603832825.db2.gz	OMTDEVSWACTSII-NSHDSACASA-N	-1	0	289.247	0.431	20	30		CCEDRM
C[C@@H](C#N)CN(C)C(=O)[C@]1(C)CCN(C(=O)[O-])C1	ZINC000823646330	603893109	/nfs/dbraw/zinc/89/31/09/603893109.db2.gz	AFKZCRMFKWCYHG-JOYOIKCWSA-N	-1	0	253.302	0.994	20	30		CCEDRM
N#C[C@@H]1CCC[C@H]1NC(=O)[C@@H]1CCN(C(=O)[O-])C1	ZINC000831076325	603959041	/nfs/dbraw/zinc/95/90/41/603959041.db2.gz	KAKGGZACYJUUQW-IVZWLZJFSA-N	-1	0	251.286	0.795	20	30		CCEDRM
N#CC1(NC(=O)[C@]2(F)CCN(C(=O)[O-])C2)CCOCC1	ZINC000831071082	604011538	/nfs/dbraw/zinc/01/15/38/604011538.db2.gz	XTGUQGAUEPSDPM-LBPRGKRZSA-N	-1	0	285.275	0.267	20	30		CCEDRM
N#Cc1cccc(OCCn2nnnc2CNC(=O)[O-])c1	ZINC000831152835	604032832	/nfs/dbraw/zinc/03/28/32/604032832.db2.gz	OCXQANKFAJXHPZ-UHFFFAOYSA-N	-1	0	288.267	0.391	20	30		CCEDRM
Cc1[nH]ccc1C(=O)N1CCN(C(=O)[O-])C[C@H]1C#N	ZINC000829828203	604077828	/nfs/dbraw/zinc/07/78/28/604077828.db2.gz	MBRFQULOYZQGAP-SECBINFHSA-N	-1	0	262.269	0.651	20	30		CCEDRM
C[C@@H](OCC1CC1)C(=O)N1CCN(C(=O)[O-])C[C@H]1C#N	ZINC000825609898	604079340	/nfs/dbraw/zinc/07/93/40/604079340.db2.gz	DRECWLXEMXANMH-MWLCHTKSSA-N	-1	0	281.312	0.516	20	30		CCEDRM
C[C@H](C(=O)N1CCN(C(=O)[O-])C[C@@H]1C#N)C(F)(F)F	ZINC000823669519	604087979	/nfs/dbraw/zinc/08/79/79/604087979.db2.gz	OJWGAUWBQUQKNU-RQJHMYQMSA-N	-1	0	279.218	0.899	20	30		CCEDRM
C[C@H]1CN(C(=O)Nc2nn(C)cc2C#N)CCN1C(=O)[O-]	ZINC000826020852	604154028	/nfs/dbraw/zinc/15/40/28/604154028.db2.gz	OOZIZVIKMOZEKJ-QMMMGPOBSA-N	-1	0	292.299	0.508	20	30		CCEDRM
N#C[C@H]1CN(C(=O)[O-])CCN1C(=O)c1ccccc1O	ZINC000831091441	604155782	/nfs/dbraw/zinc/15/57/82/604155782.db2.gz	DZMKZJHUJVKACE-VIFPVBQESA-N	-1	0	275.264	0.720	20	30		CCEDRM
N#Cc1ccnc(N2CCN(CCNC(=O)[O-])CC2)c1	ZINC000831156734	604359390	/nfs/dbraw/zinc/35/93/90/604359390.db2.gz	JAZDBTQODNICOF-UHFFFAOYSA-N	-1	0	275.312	0.343	20	30		CCEDRM
C[C@H](NC(=O)[O-])[C@H]1CN(c2cccc(C#N)n2)CCO1	ZINC000825372622	604452246	/nfs/dbraw/zinc/45/22/46/604452246.db2.gz	PNKIWOZGVOXDJI-GXSJLCMTSA-N	-1	0	276.296	0.815	20	30		CCEDRM
N#Cc1ccnc(SCCc2cn(CC(=O)[O-])nn2)c1	ZINC000833076758	604787526	/nfs/dbraw/zinc/78/75/26/604787526.db2.gz	ORDVCZLOGKPFDI-UHFFFAOYSA-N	-1	0	289.320	0.964	20	30		CCEDRM
N#C[C@@H]1CN(C(=O)[O-])CCN1C(=O)[C@H]1CCSC1	ZINC000831076666	604868521	/nfs/dbraw/zinc/86/85/21/604868521.db2.gz	QRJUEJMRIHTQLI-DTWKUNHWSA-N	-1	0	269.326	0.454	20	30		CCEDRM
CC1CC(C#N)(C(=O)N2CCC([C@@H](O)C(=O)[O-])CC2)C1	ZINC000833591760	604899875	/nfs/dbraw/zinc/89/98/75/604899875.db2.gz	IVXOPBHWZZXHIH-GOSTWBGLSA-N	-1	0	280.324	0.610	20	30		CCEDRM
C#CCNC(=O)[C@@H](C)OC(=O)c1cncc(C(=O)[O-])c1	ZINC000833365416	605017775	/nfs/dbraw/zinc/01/77/75/605017775.db2.gz	IPUWRFAYMYITEK-MRVPVSSYSA-N	-1	0	276.248	0.075	20	30		CCEDRM
C[C@]1(C(=O)[O-])CCN(C(=O)CNc2ccc(C#N)cn2)C1	ZINC000833552910	605227759	/nfs/dbraw/zinc/22/77/59/605227759.db2.gz	CKZMELCELXDRIX-AWEZNQCLSA-N	-1	0	288.307	0.688	20	30		CCEDRM
O=C([O-])N1CCCN1C(=O)C#Cc1ccc2c(c1)OCO2	ZINC000834108720	605316596	/nfs/dbraw/zinc/31/65/96/605316596.db2.gz	CNKYPBCIRRPSRD-UHFFFAOYSA-N	-1	0	288.259	0.894	20	30		CCEDRM
O=C([O-])NCCC=NN1C(=O)c2ccccc2C1=O	ZINC000832604858	605459541	/nfs/dbraw/zinc/45/95/41/605459541.db2.gz	BSNFVAPGRKJCCZ-UHFFFAOYSA-N	-1	0	261.237	0.926	20	30		CCEDRM
C[C@H](NC(=O)[O-])[C@@H]1CCN(c2ccc(C#N)nn2)C1	ZINC000833815515	605502282	/nfs/dbraw/zinc/50/22/82/605502282.db2.gz	HKTPAOWCUXRHJW-DTWKUNHWSA-N	-1	0	261.285	0.831	20	30		CCEDRM
N#Cc1ccc(CNC(=O)C2CN(C(=O)[O-])C2)c(F)c1	ZINC000833972047	605523608	/nfs/dbraw/zinc/52/36/08/605523608.db2.gz	SPTAFHPWXDBIMM-UHFFFAOYSA-N	-1	0	277.255	0.923	20	30		CCEDRM
N#CC1(C(=O)NC[C@H]2CCN(C(=O)[O-])C2)CCOCC1	ZINC000833964459	605533687	/nfs/dbraw/zinc/53/36/87/605533687.db2.gz	HMNQLNVJQCKRQR-SNVBAGLBSA-N	-1	0	281.312	0.423	20	30		CCEDRM
N#C[C@@H](C(=O)Nc1ccccn1)C(=O)C1CN(C(=O)[O-])C1	ZINC000833961186	605586503	/nfs/dbraw/zinc/58/65/03/605586503.db2.gz	PCUWSNKRYQPMAU-SECBINFHSA-N	-1	0	288.263	0.339	20	30		CCEDRM
C=CCOCCNC(=O)N1C[C@@H](C)[C@H](C(=O)[O-])C1	ZINC000306043530	605634937	/nfs/dbraw/zinc/63/49/37/605634937.db2.gz	QKVSXAPAFOEFAK-NXEZZACHSA-N	-1	0	256.302	0.551	20	30		CCEDRM
N#CCc1ccc(NC(=O)[C@H](CC(N)=O)NC(=O)[O-])cc1	ZINC000833968772	605666061	/nfs/dbraw/zinc/66/60/61/605666061.db2.gz	WRIZRUNDYXAKTH-JTQLQIEISA-N	-1	0	290.279	0.203	20	30		CCEDRM
Cc1onc(CC(=O)N2CCC[C@@H](NC(=O)[O-])C2)c1C#N	ZINC000833936989	605695746	/nfs/dbraw/zinc/69/57/46/605695746.db2.gz	SVWWEVHWMAZWIA-SECBINFHSA-N	-1	0	292.295	0.656	20	30		CCEDRM
Cc1onc(CC(=O)N[C@H]2CCCN(C(=O)[O-])C2)c1C#N	ZINC000833936188	605700073	/nfs/dbraw/zinc/70/00/73/605700073.db2.gz	LOCUIIWFKGWNPL-VIFPVBQESA-N	-1	0	292.295	0.656	20	30		CCEDRM
C=CCOCCNC(=O)N1CC[C@](C)(C(=O)[O-])C1	ZINC000310774382	605752924	/nfs/dbraw/zinc/75/29/24/605752924.db2.gz	PECRVWUZVPWFOX-LBPRGKRZSA-N	-1	0	256.302	0.695	20	30		CCEDRM
N#CC1(COC(=O)CN(C(=O)[O-])C2CC2)CCOCC1	ZINC000833964791	605781183	/nfs/dbraw/zinc/78/11/83/605781183.db2.gz	QAQFLLUAKVCGET-UHFFFAOYSA-N	-1	0	282.296	0.992	20	30		CCEDRM
Cn1cc(C#N)cc1C(=O)NC[C@@H](NC(=O)[O-])C1CC1	ZINC000833945438	605817104	/nfs/dbraw/zinc/81/71/04/605817104.db2.gz	RMLXYJDSBILVDO-SNVBAGLBSA-N	-1	0	276.296	0.673	20	30		CCEDRM
N#Cc1ccc([C@H](O)C(=O)NCCCNC(=O)[O-])cc1	ZINC000833972581	605838184	/nfs/dbraw/zinc/83/81/84/605838184.db2.gz	FDNUYZOOWJVKNM-NSHDSACASA-N	-1	0	277.280	0.366	20	30		CCEDRM
N#C[C@@H]1CSCCN1C(=O)[C@@H](CC(F)F)NC(=O)[O-]	ZINC000833967376	605978618	/nfs/dbraw/zinc/97/86/18/605978618.db2.gz	QWGJJOOGXSQPHN-RNFRBKRXSA-N	-1	0	293.295	0.745	20	30		CCEDRM
N#C[C@H]1CSCCN1C(=O)CN(CC1CC1)C(=O)[O-]	ZINC000833967519	605978682	/nfs/dbraw/zinc/97/86/82/605978682.db2.gz	RIAXQWZAUQANQV-JTQLQIEISA-N	-1	0	283.353	0.844	20	30		CCEDRM
N#CCN(CN1C[C@@H](NC(=O)[O-])CC1=O)C1CCCC1	ZINC000833968162	605995693	/nfs/dbraw/zinc/99/56/93/605995693.db2.gz	XXLKWEZDACKSOM-JTQLQIEISA-N	-1	0	280.328	0.581	20	30		CCEDRM
N#C[C@H]1CN(C(=O)[O-])CCN1C(=O)c1cccc2nccn21	ZINC000833969026	606098759	/nfs/dbraw/zinc/09/87/59/606098759.db2.gz	ZLSBESIYQYJLSC-JTQLQIEISA-N	-1	0	299.290	0.662	20	30		CCEDRM
C#CCCS(=O)(=O)[N-]C(=O)CCOCC(F)(F)F	ZINC000810785575	613052806	/nfs/dbraw/zinc/05/28/06/613052806.db2.gz	MFXPCOXJFYCGSI-UHFFFAOYSA-N	-1	0	287.259	0.425	20	30		CCEDRM
C#CCCS(=O)(=O)[N-]C(=O)Cc1cccc(F)c1F	ZINC000810779380	613052913	/nfs/dbraw/zinc/05/29/13/613052913.db2.gz	KMMMQZPKUAOZAZ-UHFFFAOYSA-N	-1	0	287.287	0.977	20	30		CCEDRM
C#CCCS(=O)(=O)[N-]C(=O)[C@@H]1CCC(F)(F)C1	ZINC000810784397	613053243	/nfs/dbraw/zinc/05/32/43/613053243.db2.gz	DAQDLHXYQAOYGQ-MRVPVSSYSA-N	-1	0	265.281	0.891	20	30		CCEDRM
C#CCCS(=O)(=O)[N-]C(=O)c1cn(CCC(C)C)nn1	ZINC000810784500	613053903	/nfs/dbraw/zinc/05/39/03/613053903.db2.gz	HXJLVAQASZEDGK-UHFFFAOYSA-N	-1	0	298.368	0.407	20	30		CCEDRM
C#CCCS(=O)(=O)[N-]C(=O)[C@@H]1CC[C@H](CC)O1	ZINC000810782249	613053153	/nfs/dbraw/zinc/05/31/53/613053153.db2.gz	JMCNELMJRKHGAY-UWVGGRQHSA-N	-1	0	259.327	0.413	20	30		CCEDRM
C#CC[C@H](NC(=O)Cc1ccn(C(C)C)n1)C(=O)[O-]	ZINC000910054559	613068299	/nfs/dbraw/zinc/06/82/99/613068299.db2.gz	PZNHAEDWVJDAJQ-NSHDSACASA-N	-1	0	263.297	0.599	20	30		CCEDRM
C#CC[C@H](NC(=O)[C@@H]1CCc2cccnc21)C(=O)[O-]	ZINC000910048985	613068893	/nfs/dbraw/zinc/06/88/93/613068893.db2.gz	QLCXYZRPJNIEHA-MNOVXSKESA-N	-1	0	258.277	0.704	20	30		CCEDRM
C#CC[C@H](NC(=O)c1csc(NC2CC2)n1)C(=O)[O-]	ZINC000910051543	613070634	/nfs/dbraw/zinc/07/06/34/613070634.db2.gz	XTGWXADQYZVGCN-QMMMGPOBSA-N	-1	0	279.321	0.924	20	30		CCEDRM
COc1cc(F)c(C=NNCC(=O)[O-])cc1OC	ZINC000844599493	617196447	/nfs/dbraw/zinc/19/64/47/617196447.db2.gz	GTBGICOWPBDKOL-UHFFFAOYSA-N	-1	0	256.233	0.851	20	30		CCEDRM
C#CCNS(=O)(=O)c1sc(C(=O)[O-])cc1OC	ZINC000825625429	612957122	/nfs/dbraw/zinc/95/71/22/612957122.db2.gz	AUGGZWLNCUXSAS-UHFFFAOYSA-N	-1	0	275.307	0.366	20	30		CCEDRM
Cc1ccc(Cn2c(N)nc(-c3nnn[n-]3)c2C#N)nc1	ZINC000826289245	609176748	/nfs/dbraw/zinc/17/67/48/609176748.db2.gz	RQVVCIGYORFMKS-UHFFFAOYSA-N	-1	0	281.283	0.269	20	30		CCEDRM
C#CCN(CC#CC)C(=O)Cn1ccc(C(=O)[O-])n1	ZINC000908810530	613099740	/nfs/dbraw/zinc/09/97/40/613099740.db2.gz	ZBUJACKUMFUVEE-UHFFFAOYSA-N	-1	0	259.265	0.066	20	30		CCEDRM
C#CCC(C)(C)C(=O)[N-]S(=O)(=O)C[C@H](COC)OC	ZINC000853209333	612965622	/nfs/dbraw/zinc/96/56/22/612965622.db2.gz	JBEDNMKCBMKVFZ-JTQLQIEISA-N	-1	0	291.369	0.143	20	30		CCEDRM
C#CCC(CC#C)C(=O)NCCCc1n[nH]c(=O)[n-]1	ZINC000806974701	612967029	/nfs/dbraw/zinc/96/70/29/612967029.db2.gz	RTKGVGFCBHCRDS-UHFFFAOYSA-N	-1	0	260.297	0.222	20	30		CCEDRM
CC(C)CCN(CCC#N)C(=O)Cn1cc(C(=O)[O-])nn1	ZINC000826848751	614026318	/nfs/dbraw/zinc/02/63/18/614026318.db2.gz	BPMFXIIDKRQFIY-UHFFFAOYSA-N	-1	0	293.327	0.765	20	30		CCEDRM
C#CCCCC(=O)N1CC[C@H](OC)C[C@@H]1C(=O)[O-]	ZINC000909981676	612974734	/nfs/dbraw/zinc/97/47/34/612974734.db2.gz	VUVQATJFQJDXQN-WDEREUQCSA-N	-1	0	253.298	0.881	20	30		CCEDRM
C#CCCCCNC(=O)N[C@H](C(=O)[O-])c1ccn(C)n1	ZINC000797725254	612978063	/nfs/dbraw/zinc/97/80/63/612978063.db2.gz	WWOFEKPWOTUZDL-NSHDSACASA-N	-1	0	278.312	0.649	20	30		CCEDRM
COc1ccc(C)cc1CC(=O)[N-]S(=O)(=O)CCC#N	ZINC000835412697	617237439	/nfs/dbraw/zinc/23/74/39/617237439.db2.gz	WPMLEWVVQGUEOO-UHFFFAOYSA-N	-1	0	296.348	0.906	20	30		CCEDRM
COc1ccc(F)c(OC)c1C(=O)N[C@@H]1CCN(O)C1=O	ZINC000820127239	617264639	/nfs/dbraw/zinc/26/46/39/617264639.db2.gz	KAKUGPIBLGYAEF-MRVPVSSYSA-N	-1	0	298.270	0.563	20	30		CCEDRM
COc1ccc(OCC(=O)[N-]S(=O)(=O)CCC#N)cc1	ZINC000835414245	617276397	/nfs/dbraw/zinc/27/63/97/617276397.db2.gz	YGZURXLWRWTBDG-UHFFFAOYSA-N	-1	0	298.320	0.434	20	30		CCEDRM
C#CCCCC(=O)N1CCC[C@]1(COC)C(=O)[O-]	ZINC000909938582	612974641	/nfs/dbraw/zinc/97/46/41/612974641.db2.gz	ROISMFFBBZSTOA-ZDUSSCGKSA-N	-1	0	253.298	0.882	20	30		CCEDRM
C#CCCCCNC(=O)C[C@]1(C(=O)[O-])CCOC1	ZINC000849181840	612977347	/nfs/dbraw/zinc/97/73/47/612977347.db2.gz	WVPISWCJIARXRW-CYBMUJFWSA-N	-1	0	253.298	0.788	20	30		CCEDRM
C#CCCCCNC(=O)N(C)[C@H](COCC)C(=O)[O-]	ZINC000797723108	612977512	/nfs/dbraw/zinc/97/75/12/612977512.db2.gz	AKBACIMZFNNIRD-LLVKDONJSA-N	-1	0	270.329	0.921	20	30		CCEDRM
C#CCOCCC(=O)N(C[C@@H](C)C(=O)[O-])C1CC1	ZINC000833364385	612977517	/nfs/dbraw/zinc/97/75/17/612977517.db2.gz	PWBNYMVFCYFXBE-SNVBAGLBSA-N	-1	0	253.298	0.738	20	30		CCEDRM
C#CCCCCNC(=O)N1CC[C@@H](NC(=O)[O-])C1	ZINC000823441128	612977628	/nfs/dbraw/zinc/97/76/28/612977628.db2.gz	UWXPUHIJSFPVSW-SNVBAGLBSA-N	-1	0	253.302	0.841	20	30		CCEDRM
C#CCCCNC(=O)C(=O)N1CC[C@H](C)[C@@H](C(=O)[O-])C1	ZINC000843257524	612979674	/nfs/dbraw/zinc/97/96/74/612979674.db2.gz	QVXNKJVIMFXWHM-QWRGUYRKSA-N	-1	0	280.324	0.085	20	30		CCEDRM
C#CCOCCC(=O)N[C@@H](c1nc(=O)o[n-]1)C(C)(C)C	ZINC000911585713	612980455	/nfs/dbraw/zinc/98/04/55/612980455.db2.gz	LNCZOELTBAKCFM-JTQLQIEISA-N	-1	0	281.312	0.606	20	30		CCEDRM
C#CCCCNC(=O)N1CCC(c2n[nH]c(=O)[n-]2)CC1	ZINC000920756577	612981259	/nfs/dbraw/zinc/98/12/59/612981259.db2.gz	WODHHXYDIBYTEA-UHFFFAOYSA-N	-1	0	277.328	0.813	20	30		CCEDRM
C#CCCCNC(=O)NC[C@@H]1CCCN1C(=O)[O-]	ZINC000823444990	612982107	/nfs/dbraw/zinc/98/21/07/612982107.db2.gz	SJKHOWJDAHOQRD-JTQLQIEISA-N	-1	0	253.302	0.841	20	30		CCEDRM
C#CCCCS(=O)(=O)N1CCC(c2n[nH]c(=O)[n-]2)CC1	ZINC000815097495	612983224	/nfs/dbraw/zinc/98/32/24/612983224.db2.gz	GCJCGRSRGPCJQS-UHFFFAOYSA-N	-1	0	298.368	0.433	20	30		CCEDRM
C#CCCCn1cc(C(=O)[O-])cc([N+](=O)[O-])c1=O	ZINC000833362339	612986118	/nfs/dbraw/zinc/98/61/18/612986118.db2.gz	MZSUVPWDZAZNBZ-UHFFFAOYSA-N	-1	0	250.210	0.868	20	30		CCEDRM
C#CCOCCNC(=O)[C@@H](CC(=O)[O-])CC(C)C	ZINC000899779802	612988344	/nfs/dbraw/zinc/98/83/44/612988344.db2.gz	COZQALOHHSJXIM-LLVKDONJSA-N	-1	0	255.314	0.889	20	30		CCEDRM
C#CCOCCOC(=O)[C@]1(F)CCN(C(=O)[O-])C1	ZINC000823463884	612990855	/nfs/dbraw/zinc/99/08/55/612990855.db2.gz	XMFQAABBHVUKTM-NSHDSACASA-N	-1	0	259.233	0.271	20	30		CCEDRM
C#CCO[N-]C(=O)CN1CC[C@@H](c2ccccc2)NC1=O	ZINC000855607262	612992203	/nfs/dbraw/zinc/99/22/03/612992203.db2.gz	WHCTXMSVAJJBLS-ZDUSSCGKSA-N	-1	0	287.319	0.824	20	30		CCEDRM
C#CCO[N-]C(=O)Cn1cnc2sc(C)c(C)c2c1=O	ZINC000812784212	612992302	/nfs/dbraw/zinc/99/23/02/612992302.db2.gz	BRCDYKLYQUOMHE-UHFFFAOYSA-N	-1	0	291.332	0.756	20	30		CCEDRM
C#CCO[N-]C(=O)[C@H]1CCCN1C(=O)c1ccccc1O	ZINC000812782017	612993004	/nfs/dbraw/zinc/99/30/04/612993004.db2.gz	LZVBRJBSJFYWPX-GFCCVEGCSA-N	-1	0	288.303	0.678	20	30		CCEDRM
C#CCO[N-]C(=O)[C@H]1CCCN(CC(F)(F)F)C1=O	ZINC000825136513	612993024	/nfs/dbraw/zinc/99/30/24/612993024.db2.gz	CICJZVBQOYKDMO-MRVPVSSYSA-N	-1	0	278.230	0.468	20	30		CCEDRM
C#CCO[C@@H](C)C(=O)N[C@H](c1nnn[n-]1)c1ccccc1	ZINC000913437826	612996915	/nfs/dbraw/zinc/99/69/15/612996915.db2.gz	OMVHBGAAKUFUHY-JQWIXIFHSA-N	-1	0	285.307	0.444	20	30		CCEDRM
C#CCO[C@H](C)C(=O)N1CCCCC[C@@H]1C(=O)[O-]	ZINC000910044223	612999421	/nfs/dbraw/zinc/99/94/21/612999421.db2.gz	IYDCAPRMMFHWLQ-GHMZBOCLSA-N	-1	0	253.298	0.881	20	30		CCEDRM
C#CCO[C@H](C)C(=O)NC1CCC(C(=O)[O-])CC1	ZINC000909157365	613001349	/nfs/dbraw/zinc/00/13/49/613001349.db2.gz	NFBOUPNUWVJHDE-KPPDAEKUSA-N	-1	0	253.298	0.784	20	30		CCEDRM
C#CCO[C@H](C)C(=O)[N-]S(=O)(=O)CC(C)(C)C	ZINC000835156035	613002217	/nfs/dbraw/zinc/00/22/17/613002217.db2.gz	LWTMWRDQDDABAY-SECBINFHSA-N	-1	0	261.343	0.517	20	30		CCEDRM
C#CCO[C@H](C)C(=O)OCC(=O)[N-]OCc1ccccc1	ZINC000837847281	613003954	/nfs/dbraw/zinc/00/39/54/613003954.db2.gz	IWZPDVSBCYLIDG-GFCCVEGCSA-N	-1	0	291.303	0.816	20	30		CCEDRM
C#CCOc1ccc(CN2CCOC[C@H]2C(=O)[O-])cc1	ZINC000833366982	613005810	/nfs/dbraw/zinc/00/58/10/613005810.db2.gz	NRKPTHGIDBRNKZ-AWEZNQCLSA-N	-1	0	275.304	0.984	20	30		CCEDRM
C#CCOc1ccc(CN(CC(=O)[O-])CC(=O)OC)cc1	ZINC000833366851	613005920	/nfs/dbraw/zinc/00/59/20/613005920.db2.gz	JTYYVFMQXAVIGA-UHFFFAOYSA-N	-1	0	291.303	0.758	20	30		CCEDRM
C#CC[C@@H](NC(=O)CCc1scnc1C)C(=O)[O-]	ZINC000910050661	613039679	/nfs/dbraw/zinc/03/96/79/613039679.db2.gz	MZXJKWGHJBJQKI-SECBINFHSA-N	-1	0	266.322	0.977	20	30		CCEDRM
C#CC[C@@H](NC(=O)CCCOC1CCOCC1)C(=O)[O-]	ZINC000910049594	613039875	/nfs/dbraw/zinc/03/98/75/613039875.db2.gz	YJCYOLACCOHILQ-GFCCVEGCSA-N	-1	0	283.324	0.555	20	30		CCEDRM
C#CC[C@@H](NC(=O)[C@H](C)NC(=O)C1CCCCC1)C(=O)[O-]	ZINC000910053466	613041039	/nfs/dbraw/zinc/04/10/39/613041039.db2.gz	HGJWZSSDUFFEOA-CMPLNLGQSA-N	-1	0	294.351	0.664	20	30		CCEDRM
C#CC[C@@H](NC(=O)[C@H]1CCc2cncn2C1)C(=O)[O-]	ZINC000910047973	613041348	/nfs/dbraw/zinc/04/13/48/613041348.db2.gz	BDLPAZMXWUYBHP-GXSJLCMTSA-N	-1	0	261.281	0.038	20	30		CCEDRM
C#CC[C@@H](NC(=O)c1cc(CC)nnc1C)C(=O)[O-]	ZINC000910050599	613041872	/nfs/dbraw/zinc/04/18/72/613041872.db2.gz	LRPKRJAPNNJJAC-LLVKDONJSA-N	-1	0	261.281	0.554	20	30		CCEDRM
C#CC[C@@H](NC(=O)c1ccc(OCCOC)cc1)C(=O)[O-]	ZINC000910055106	613042109	/nfs/dbraw/zinc/04/21/09/613042109.db2.gz	XNTZXOLIJCYFCW-CYBMUJFWSA-N	-1	0	291.303	0.918	20	30		CCEDRM
C#CC[C@@H](OC(=O)CN1CCN(C(=O)[O-])CC1=O)C1CC1	ZINC000823440959	613043418	/nfs/dbraw/zinc/04/34/18/613043418.db2.gz	NWXREWVKJLNURM-LLVKDONJSA-N	-1	0	294.307	0.154	20	30		CCEDRM
C#CCCNC(=O)N1CCO[C@@H]([C@H](C)NC(=O)[O-])C1	ZINC000823445294	613047184	/nfs/dbraw/zinc/04/71/84/613047184.db2.gz	XKRJZKZSJALVEB-VHSXEESVSA-N	-1	0	269.301	0.076	20	30		CCEDRM
C#CCCNC(=O)N1CC[C@@H]([C@@H](C)NC(=O)[O-])C1	ZINC000833787582	613047190	/nfs/dbraw/zinc/04/71/90/613047190.db2.gz	UTZRIEDTJXYKDQ-NXEZZACHSA-N	-1	0	253.302	0.697	20	30		CCEDRM
C#CCCS(=O)(=O)[N-]C(=O)CCCCCNC(C)=O	ZINC000791111480	613052754	/nfs/dbraw/zinc/05/27/54/613052754.db2.gz	STAUOVLZMRRNNE-UHFFFAOYSA-N	-1	0	288.369	0.152	20	30		CCEDRM
C#CCCS(=O)(=O)[N-]C(=O)Cc1occc1C	ZINC000851000718	613052962	/nfs/dbraw/zinc/05/29/62/613052962.db2.gz	WXTPSWWLOMNSFC-UHFFFAOYSA-N	-1	0	255.295	0.600	20	30		CCEDRM
C#CCCS(=O)(=O)[N-]C(=O)Cc1cccc(OC)c1	ZINC000791110622	613053052	/nfs/dbraw/zinc/05/30/52/613053052.db2.gz	GHXOQNYIXQILRH-UHFFFAOYSA-N	-1	0	281.333	0.707	20	30		CCEDRM
C#CCCS(=O)(=O)[N-]C(=O)[C@H](OCC)C1CC1	ZINC000860722599	613053419	/nfs/dbraw/zinc/05/34/19/613053419.db2.gz	ZRCFHIKKEJXZGH-SNVBAGLBSA-N	-1	0	259.327	0.271	20	30		CCEDRM
C#CC[C@H](CO)NC(=O)CCc1ccccc1C(=O)[O-]	ZINC000911395184	613053463	/nfs/dbraw/zinc/05/34/63/613053463.db2.gz	NNHRCOYBGIZSPC-GFCCVEGCSA-N	-1	0	275.304	0.818	20	30		CCEDRM
C#CCCS(=O)(=O)[N-]C(=O)c1ccc(Cl)nc1	ZINC000810785188	613053552	/nfs/dbraw/zinc/05/35/52/613053552.db2.gz	AUYNCBZJKLRFRJ-UHFFFAOYSA-N	-1	0	272.713	0.818	20	30		CCEDRM
C#CCCS(=O)(=O)[N-]C(=O)c1cc(C2CC2)n(C)n1	ZINC000810781464	613053573	/nfs/dbraw/zinc/05/35/73/613053573.db2.gz	QYZJYVASCHULGD-UHFFFAOYSA-N	-1	0	281.337	0.380	20	30		CCEDRM
C#CCCS(=O)(=O)[N-]C(=O)c1ccccc1COC	ZINC000791110976	613053722	/nfs/dbraw/zinc/05/37/22/613053722.db2.gz	JDKCQSZDPWPWIW-UHFFFAOYSA-N	-1	0	281.333	0.916	20	30		CCEDRM
C#CCCS(=O)(=O)[N-]C(=O)c1nc(C)c(C)s1	ZINC000810782464	613053891	/nfs/dbraw/zinc/05/38/91/613053891.db2.gz	QACWKTFZVHOGOW-UHFFFAOYSA-N	-1	0	272.351	0.843	20	30		CCEDRM
C#CC[C@H](NC(=O)C[C@@H]1CC[C@@H](C2CC2)O1)C(=O)[O-]	ZINC000923090050	613068006	/nfs/dbraw/zinc/06/80/06/613068006.db2.gz	PDVJVMSBLVUBBW-SRVKXCTJSA-N	-1	0	265.309	0.927	20	30		CCEDRM
C#CC[C@H](NC(=O)Cc1cc(OC)ccc1OC)C(=O)[O-]	ZINC000910046145	613068088	/nfs/dbraw/zinc/06/80/88/613068088.db2.gz	MDAFDGASKQQVEV-LBPRGKRZSA-N	-1	0	291.303	0.839	20	30		CCEDRM
C#CC[C@H](NC(=O)[C@@H](C)Oc1cccc(CO)c1)C(=O)[O-]	ZINC000910048263	613068571	/nfs/dbraw/zinc/06/85/71/613068571.db2.gz	HNPOIYKRKDHSSA-MFKMUULPSA-N	-1	0	291.303	0.539	20	30		CCEDRM
C#CC[C@H](NC(=O)[C@@H](OC)c1cccc(OC)c1)C(=O)[O-]	ZINC000910045376	613068702	/nfs/dbraw/zinc/06/87/02/613068702.db2.gz	BWIPHBJTTIPWAO-STQMWFEESA-N	-1	0	291.303	0.975	20	30		CCEDRM
C#CC[C@H](NC(=O)[C@@H]1CCCN1c1nccs1)C(=O)[O-]	ZINC000910051749	613068848	/nfs/dbraw/zinc/06/88/48/613068848.db2.gz	ZUWUPSREENUCIF-UWVGGRQHSA-N	-1	0	293.348	0.705	20	30		CCEDRM
C#CC[C@H](NC(=O)[C@H](C)c1c(C)nn(C)c1C)C(=O)[O-]	ZINC000910053518	613069152	/nfs/dbraw/zinc/06/91/52/613069152.db2.gz	BAZWATVCHPXDQC-KCJUWKMLSA-N	-1	0	277.324	0.733	20	30		CCEDRM
C#CC[C@H](NC(=O)[C@H]1CCO[C@H](CC)C1)C(=O)[O-]	ZINC000910048980	613069475	/nfs/dbraw/zinc/06/94/75/613069475.db2.gz	QISHDVSHZAGBLL-AXFHLTTASA-N	-1	0	253.298	0.784	20	30		CCEDRM
C#CC[C@H](NC(=O)c1ccc(C)nc1OCC)C(=O)[O-]	ZINC000910050691	613070105	/nfs/dbraw/zinc/07/01/05/613070105.db2.gz	NRXDKSJHBDWDDW-NSHDSACASA-N	-1	0	276.292	0.995	20	30		CCEDRM
C#CC[C@H](NC(=O)c1cnc(COC)s1)C(=O)[O-]	ZINC000910050888	613070587	/nfs/dbraw/zinc/07/05/87/613070587.db2.gz	PNMWXVANWASOHI-ZETCQYMHSA-N	-1	0	268.294	0.496	20	30		CCEDRM
C#CCc1c(C)[n-]n(-c2ncnc3c2cnn3C)c1=O	ZINC000899347487	613071397	/nfs/dbraw/zinc/07/13/97/613071397.db2.gz	WHQBQWJMYUJRBM-SECBINFHSA-N	-1	0	268.280	0.725	20	30		CCEDRM
C#CC[C@H]1CCN(C(=O)NCC(=O)[N-]OCC)C1	ZINC000889312174	613073325	/nfs/dbraw/zinc/07/33/25/613073325.db2.gz	ZGZMLMYPFUSEHD-JTQLQIEISA-N	-1	0	253.302	0.109	20	30		CCEDRM
C#CCn1cc(CNC(=O)[C@@H](C(=O)[O-])C(C)C)cn1	ZINC000911716682	613076978	/nfs/dbraw/zinc/07/69/78/613076978.db2.gz	MDFDDTRMOQMARQ-NSHDSACASA-N	-1	0	263.297	0.489	20	30		CCEDRM
C#C[C@@H](C)N(C)C(=O)COCc1ocnc1C(=O)[O-]	ZINC000911385547	613079272	/nfs/dbraw/zinc/07/92/72/613079272.db2.gz	WSQBTSUTMPUADD-MRVPVSSYSA-N	-1	0	266.253	0.370	20	30		CCEDRM
C#C[C@@H](NC(=O)CCSCC(=O)[O-])[C@H]1CCCO1	ZINC000911578274	613092062	/nfs/dbraw/zinc/09/20/62/613092062.db2.gz	IAKHUXAWJXOWAX-NXEZZACHSA-N	-1	0	271.338	0.491	20	30		CCEDRM
C#CC[N@@H+](CC(=O)NCC(=O)[O-])C1CCCCC1	ZINC000819700705	613102893	/nfs/dbraw/zinc/10/28/93/613102893.db2.gz	FDBFZAMTHUTBJE-UHFFFAOYSA-N	-1	0	252.314	0.455	20	30		CCEDRM
C#C[C@@H]1CCCCN1S(=O)(=O)c1c[nH]c(C(=O)[O-])c1	ZINC000907126104	613102968	/nfs/dbraw/zinc/10/29/68/613102968.db2.gz	BQSQPHOTEVYYIN-SECBINFHSA-N	-1	0	282.321	0.889	20	30		CCEDRM
C#CCN(CC(=O)[O-])S(=O)(=O)c1cc(C)cc(F)c1	ZINC000849219160	613103524	/nfs/dbraw/zinc/10/35/24/613103524.db2.gz	KOWGUDFRXULLKF-UHFFFAOYSA-N	-1	0	285.296	0.843	20	30		CCEDRM
C#CCN(CC(=O)[O-])S(=O)(=O)Cc1cccc(OC)c1	ZINC000849219228	613103630	/nfs/dbraw/zinc/10/36/30/613103630.db2.gz	NCMJTNXIYZMCPL-UHFFFAOYSA-N	-1	0	297.332	0.545	20	30		CCEDRM
C#C[C@H](C)NS(=O)(=O)c1cn(C)nc1Br	ZINC000867198045	613118850	/nfs/dbraw/zinc/11/88/50/613118850.db2.gz	CZIIPQFUUFGADI-LURJTMIESA-N	-1	0	292.158	0.483	20	30		CCEDRM
C#C[C@H](CC)NC(=O)c1cc(=O)n(-c2nc(C)cc(C)n2)[n-]1	ZINC000907713050	613122036	/nfs/dbraw/zinc/12/20/36/613122036.db2.gz	ADSJZPXKQPWOHK-LLVKDONJSA-N	-1	0	299.334	0.714	20	30		CCEDRM
C#C[C@H](NC(=O)CCSCC(=O)[O-])[C@H]1CCCO1	ZINC000911578278	613133117	/nfs/dbraw/zinc/13/31/17/613133117.db2.gz	IAKHUXAWJXOWAX-VHSXEESVSA-N	-1	0	271.338	0.491	20	30		CCEDRM
C#C[C@H](NC(=O)[C@H]1CC[C@H]1C(=O)[O-])[C@H]1CCCO1	ZINC000911581213	613147545	/nfs/dbraw/zinc/14/75/45/613147545.db2.gz	WMUOVFDOIYSNHZ-ZRUFSTJUSA-N	-1	0	251.282	0.394	20	30		CCEDRM
C#C[C@H](NC(=O)c1cc(C(=O)[O-])cnc1C)[C@H]1CCCO1	ZINC000911577611	613148480	/nfs/dbraw/zinc/14/84/80/613148480.db2.gz	DACKLLYLABFFJJ-QWHCGFSZSA-N	-1	0	288.303	0.999	20	30		CCEDRM
C#C[C@H](NC(=O)c1cncc(C(=O)[O-])c1)C1CCOCC1	ZINC000911794097	613149654	/nfs/dbraw/zinc/14/96/54/613149654.db2.gz	XQNFFVGGUOLDHB-ZDUSSCGKSA-N	-1	0	288.303	0.938	20	30		CCEDRM
C#C[C@H](NC(=O)c1csc(C(=O)[O-])n1)[C@@H]1CCCO1	ZINC000911579743	613149960	/nfs/dbraw/zinc/14/99/60/613149960.db2.gz	PLFRDAITJBRRFY-CBAPKCEASA-N	-1	0	280.305	0.752	20	30		CCEDRM
C#Cc1ccc(C(=O)N2CCC[C@@H]2CNC(=O)[O-])cn1	ZINC000823466679	613169070	/nfs/dbraw/zinc/16/90/70/613169070.db2.gz	GQRRHXNGARKBGQ-GFCCVEGCSA-N	-1	0	273.292	0.935	20	30		CCEDRM
C#Cc1ccc(C(=O)N2CCOC[C@@H]2CC(=O)[O-])cc1	ZINC000909617446	613170815	/nfs/dbraw/zinc/17/08/15/613170815.db2.gz	UBEMCMXRZDFHLO-ZDUSSCGKSA-N	-1	0	273.288	0.984	20	30		CCEDRM
C#Cc1ccc(C(=O)N2CCO[C@@H](CC(=O)[O-])C2)cn1	ZINC000825636965	613171065	/nfs/dbraw/zinc/17/10/65/613171065.db2.gz	YALTWYCIZXRLMM-LBPRGKRZSA-N	-1	0	274.276	0.379	20	30		CCEDRM
C#Cc1ccc(C(=O)N2CC[C@@](OC)(C(=O)[O-])C2)cc1	ZINC000910222983	613173507	/nfs/dbraw/zinc/17/35/07/613173507.db2.gz	SDEFAWYPJXAQNX-HNNXBMFYSA-N	-1	0	273.288	0.984	20	30		CCEDRM
C#CCN1CCC[C@H]1C(=O)N1CC[C@](F)(C(=O)[O-])C1	ZINC000825620309	613197773	/nfs/dbraw/zinc/19/77/73/613197773.db2.gz	ZUVRAFCVDSFKMF-GXFFZTMASA-N	-1	0	268.288	0.109	20	30		CCEDRM
C#Cc1cncc(C(=O)N2CCC(c3n[nH]c(=O)[n-]3)CC2)c1	ZINC000843876283	613212864	/nfs/dbraw/zinc/21/28/64/613212864.db2.gz	YMZDUCXDABZLHD-UHFFFAOYSA-N	-1	0	297.318	0.906	20	30		CCEDRM
C#Cc1cncc(C(=O)N[C@H](C(=O)[O-])C2CCOCC2)c1	ZINC000910014522	613221007	/nfs/dbraw/zinc/22/10/07/613221007.db2.gz	GLIFAJRTZOJHPS-ZDUSSCGKSA-N	-1	0	288.303	0.673	20	30		CCEDRM
C=C(C)COCCNC(=O)[C@@H]1CSCN1C(=O)[O-]	ZINC000823480389	613352122	/nfs/dbraw/zinc/35/21/22/613352122.db2.gz	APYQBLLXSWOLEK-VIFPVBQESA-N	-1	0	274.342	0.748	20	30		CCEDRM
C=C(C)CO[N-]C(=O)C(=O)Nc1ccn(CC(F)F)n1	ZINC000846146263	613352356	/nfs/dbraw/zinc/35/23/56/613352356.db2.gz	MGUVZHDRORKQSS-UHFFFAOYSA-N	-1	0	288.254	0.711	20	30		CCEDRM
C=C(C)CO[N-]C(=O)C(=O)Nc1cnc(C2CC2)nc1	ZINC000846149284	613352369	/nfs/dbraw/zinc/35/23/69/613352369.db2.gz	JWBYXNVDHVLIDA-UHFFFAOYSA-N	-1	0	276.296	0.916	20	30		CCEDRM
C=C(C)CO[N-]C(=O)C(=O)Nc1cc(CC)n(C)n1	ZINC000846146283	613352408	/nfs/dbraw/zinc/35/24/08/613352408.db2.gz	HKAIPKWNCHIUEG-UHFFFAOYSA-N	-1	0	266.301	0.545	20	30		CCEDRM
C=C(C)CO[N-]C(=O)C(=O)Nc1ccc(=O)n(CC)c1	ZINC000846148773	613352409	/nfs/dbraw/zinc/35/24/09/613352409.db2.gz	CQXXNLWKKBTBJB-UHFFFAOYSA-N	-1	0	279.296	0.431	20	30		CCEDRM
C=C(C)CO[N-]C(=O)COCC(=O)OC(C)(C)C	ZINC000846531740	613352477	/nfs/dbraw/zinc/35/24/77/613352477.db2.gz	HDWGXWHRHLKMNF-UHFFFAOYSA-N	-1	0	259.302	0.969	20	30		CCEDRM
C=C(C)CO[N-]C(=O)[C@@H]1CC(c2cn(C)nc2C)=NO1	ZINC000824028720	613353775	/nfs/dbraw/zinc/35/37/75/613353775.db2.gz	QNPAFGSQGUBSQN-LBPRGKRZSA-N	-1	0	278.312	0.845	20	30		CCEDRM
C=C(C)CO[N-]C(=O)[C@@H](NS(C)(=O)=O)C(C)C	ZINC000846536080	613353791	/nfs/dbraw/zinc/35/37/91/613353791.db2.gz	RQBBLLCNOGNHJT-VIFPVBQESA-N	-1	0	264.347	0.184	20	30		CCEDRM
C=C(C)CO[N-]C(=O)c1cnc2n(c1=O)CCS2	ZINC000846540263	613353971	/nfs/dbraw/zinc/35/39/71/613353971.db2.gz	ORCMCDXAFZYEOG-UHFFFAOYSA-N	-1	0	267.310	0.587	20	30		CCEDRM
C=C(C)CS(=O)(=O)NCc1nc(CC(=O)[O-])cs1	ZINC000871770378	613354220	/nfs/dbraw/zinc/35/42/20/613354220.db2.gz	MKYBBEBDGWSXBJ-UHFFFAOYSA-N	-1	0	290.366	0.766	20	30		CCEDRM
C=C(C)C[C@@H](NC(=O)c1coc(CO)c1)C(=O)[O-]	ZINC000910291179	613356229	/nfs/dbraw/zinc/35/62/29/613356229.db2.gz	FZNDWNASTONHCZ-SNVBAGLBSA-N	-1	0	253.254	0.921	20	30		CCEDRM
C=C(C)C[C@H](NC(=O)NOC[C@H]1CCOC1)C(=O)[O-]	ZINC000909250199	613358831	/nfs/dbraw/zinc/35/88/31/613358831.db2.gz	ATHUNHQUYYXYIR-UWVGGRQHSA-N	-1	0	272.301	0.673	20	30		CCEDRM
C=C(C)C[C@H](NC(=O)[C@@H](OCC)[C@@H]1CCOC1)C(=O)[O-]	ZINC000864188865	613358870	/nfs/dbraw/zinc/35/88/70/613358870.db2.gz	WSZLHNIKPOSFHG-WOPDTQHZSA-N	-1	0	285.340	0.964	20	30		CCEDRM
C=C(C)C[C@H](NC(=O)c1cn2c(n1)COCC2)C(=O)[O-]	ZINC000910291495	613359201	/nfs/dbraw/zinc/35/92/01/613359201.db2.gz	JEAGABNFAMWGNJ-VIFPVBQESA-N	-1	0	279.296	0.563	20	30		CCEDRM
C=C(C)C[C@H](NC(C)=O)C(=O)[N-]OC[C@H]1CCOC1	ZINC000834290197	613359460	/nfs/dbraw/zinc/35/94/60/613359460.db2.gz	JKONNGCMUCFWLI-RYUDHWBXSA-N	-1	0	270.329	0.542	20	30		CCEDRM
C=C(C)[C@@H](CC(=O)N[C@@H]1CCO[C@@H]1C(=O)[O-])OCC	ZINC000909944393	613360242	/nfs/dbraw/zinc/36/02/42/613360242.db2.gz	WFCXOGZXVUIUQT-FOGDFJRCSA-N	-1	0	271.313	0.716	20	30		CCEDRM
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CCO[C@@H](CC(=O)[O-])C1	ZINC000909272559	613361074	/nfs/dbraw/zinc/36/10/74/613361074.db2.gz	LAPIRLXGNAEYLP-GVXVVHGQSA-N	-1	0	283.324	0.670	20	30		CCEDRM
C=C(C)[C@@H]1OCC[C@H]1CNC(=O)N[C@@H](COC)C(=O)[O-]	ZINC000905538218	613362103	/nfs/dbraw/zinc/36/21/03/613362103.db2.gz	OTNNBIDWRGEVKM-DCAQKATOSA-N	-1	0	286.328	0.366	20	30		CCEDRM
C=C(C)[C@H](CC(=O)NC[C@@](C)(O)C(=O)[O-])OCC	ZINC000911474749	613362248	/nfs/dbraw/zinc/36/22/48/613362248.db2.gz	YSPZDGSZQDJSHS-JOYOIKCWSA-N	-1	0	259.302	0.310	20	30		CCEDRM
C=C(Cl)CNC(=O)[C@]1(F)CCN(C(=O)[O-])C1	ZINC000823480727	613383746	/nfs/dbraw/zinc/38/37/46/613383746.db2.gz	MFZSKZIQARKERG-VIFPVBQESA-N	-1	0	250.657	0.947	20	30		CCEDRM
C=C(Cl)C[C@@H](NC(=O)CCCn1cncn1)C(=O)[O-]	ZINC000864184296	613388405	/nfs/dbraw/zinc/38/84/05/613388405.db2.gz	MDWMAFHKDPSRQS-SECBINFHSA-N	-1	0	286.719	0.770	20	30		CCEDRM
C=C(Cl)C[C@@H](NC(=O)CNC(=O)C(C)(C)C)C(=O)[O-]	ZINC000864183923	613388485	/nfs/dbraw/zinc/38/84/85/613388485.db2.gz	JPBJCQCHYRCRTI-MRVPVSSYSA-N	-1	0	290.747	0.861	20	30		CCEDRM
C=C(Cl)C[C@@H](NC(=O)Cn1ccc(C)n1)C(=O)[O-]	ZINC000910271591	613388580	/nfs/dbraw/zinc/38/85/80/613388580.db2.gz	PYWCJKASVMFWHC-SECBINFHSA-N	-1	0	271.704	0.904	20	30		CCEDRM
C=C(Cl)C[C@@H](NC(=O)[C@@H](O)CCSC)C(=O)[O-]	ZINC000910265347	613388636	/nfs/dbraw/zinc/38/86/36/613388636.db2.gz	DEUKEZCOJCDEJC-SFYZADRCSA-N	-1	0	281.761	0.812	20	30		CCEDRM
C=C(Cl)C[C@@H](NC(=O)c1cnn2c1OCCC2)C(=O)[O-]	ZINC000910265222	613388672	/nfs/dbraw/zinc/38/86/72/613388672.db2.gz	GJWMTUBJEIJSDB-SECBINFHSA-N	-1	0	299.714	0.991	20	30		CCEDRM
C=C(Cl)C[C@@H](NS(=O)(=O)C[C@@H](C)COC)C(=O)[O-]	ZINC000871995583	613388704	/nfs/dbraw/zinc/38/87/04/613388704.db2.gz	BSYARGVRRSEJBH-IONNQARKSA-N	-1	0	299.776	0.784	20	30		CCEDRM
C=C(Cl)C[C@@H](NS(=O)(=O)N1CCCCC1)C(=O)[O-]	ZINC000863421575	613388724	/nfs/dbraw/zinc/38/87/24/613388724.db2.gz	SWLZHDVSRMQXNS-SECBINFHSA-N	-1	0	296.776	0.903	20	30		CCEDRM
C=C(Cl)C[C@H](NC(=O)NC[C@H]1COCCO1)C(=O)[O-]	ZINC000864526877	613390660	/nfs/dbraw/zinc/39/06/60/613390660.db2.gz	RNMFUFUSRFUINM-IUCAKERBSA-N	-1	0	292.719	0.297	20	30		CCEDRM
C=C(Cl)C[C@H](NS(=O)(=O)C[C@@H]1CCCO1)C(=O)[O-]	ZINC000863422049	613390913	/nfs/dbraw/zinc/39/09/13/613390913.db2.gz	ZFCYMDVYMLICRP-IUCAKERBSA-N	-1	0	297.760	0.681	20	30		CCEDRM
C=CCS(=O)(=O)[N-]C(=O)c1ncn(C(C)(C)C)n1	ZINC000813079976	613394771	/nfs/dbraw/zinc/39/47/71/613394771.db2.gz	WMGBQTDVKUSEEQ-UHFFFAOYSA-N	-1	0	272.330	0.279	20	30		CCEDRM
C=CC[C@@H](CO)CNS(=O)(=O)c1c[nH]c(C(=O)[O-])c1	ZINC000833369801	613403195	/nfs/dbraw/zinc/40/31/95/613403195.db2.gz	FONYWQXEQZBLNS-MRVPVSSYSA-N	-1	0	288.325	0.176	20	30		CCEDRM
C=C1CCC(C(=O)N2CCC[C@@H]2C(=O)NCC(=O)[O-])CC1	ZINC000910756939	613404830	/nfs/dbraw/zinc/40/48/30/613404830.db2.gz	ZXJADLBJSIAJOP-GFCCVEGCSA-N	-1	0	294.351	0.925	20	30		CCEDRM
C=CC[C@H](C(=O)OC)N1CCC[C@H](c2n[nH]c(=O)[n-]2)C1	ZINC000878622184	613411190	/nfs/dbraw/zinc/41/11/90/613411190.db2.gz	LXDRIIPUBNMTMA-VHSXEESVSA-N	-1	0	280.328	0.807	20	30		CCEDRM
C=C1CCC(CNC(=O)C(=O)NC[C@@H](C)C(=O)[O-])CC1	ZINC000927946751	613413361	/nfs/dbraw/zinc/41/33/61/613413361.db2.gz	IZHVNKQCFKBSTG-SNVBAGLBSA-N	-1	0	282.340	0.686	20	30		CCEDRM
C=C1CCN(C(=O)[C@H]2C[C@@H](O)CN2C(=O)[O-])CC1	ZINC000823486335	613415137	/nfs/dbraw/zinc/41/51/37/613415137.db2.gz	VMARSIGHCSGCEP-NXEZZACHSA-N	-1	0	254.286	0.278	20	30		CCEDRM
C=CC[C@H](CO)CNC(=O)c1cc(C(=O)[O-])ccn1	ZINC000911651580	613415420	/nfs/dbraw/zinc/41/54/20/613415420.db2.gz	RQPMBZVVCAKMJN-VIFPVBQESA-N	-1	0	264.281	0.694	20	30		CCEDRM
C=CC[C@H](CO)CNC(=O)[C@H]1C[C@@H](C)[C@H](C(=O)[O-])O1	ZINC000911652077	613415473	/nfs/dbraw/zinc/41/54/73/613415473.db2.gz	ZDCTZCNEKFVVQE-LMLFDSFASA-N	-1	0	271.313	0.165	20	30		CCEDRM
C=CCn1cc(C(=O)N2C[C@@H](C)[C@H](CC(=O)[O-])C2)nn1	ZINC000910857072	613427316	/nfs/dbraw/zinc/42/73/16/613427316.db2.gz	JYLDWUNKFKAQMU-NXEZZACHSA-N	-1	0	278.312	0.647	20	30		CCEDRM
C=CCn1cc(CNC(=O)C23CC(C(=O)[O-])(C2)C3)nn1	ZINC000909850927	613433880	/nfs/dbraw/zinc/43/38/80/613433880.db2.gz	IXPVCWTVBQYPQW-UHFFFAOYSA-N	-1	0	276.296	0.335	20	30		CCEDRM
C=CCn1nnn(CN(C)[C@H](C)C(=O)[O-])c1=S	ZINC000817690049	613439445	/nfs/dbraw/zinc/43/94/45/613439445.db2.gz	LJFDOGRLKXMKEA-SSDOTTSWSA-N	-1	0	257.319	0.357	20	30		CCEDRM
C=CCn1nnnc1S[C@H]1CN(C(=O)[O-])CCC1=O	ZINC000823522017	613440082	/nfs/dbraw/zinc/44/00/82/613440082.db2.gz	PRLAIUMPCROEFW-QMMMGPOBSA-N	-1	0	283.313	0.273	20	30		CCEDRM
C=C[C@@H](C)O[N-]C(=O)C(=O)Nc1nn(C)cc1C	ZINC000850478136	613443194	/nfs/dbraw/zinc/44/31/94/613443194.db2.gz	OOJQVHZJSFYTSE-MRVPVSSYSA-N	-1	0	252.274	0.289	20	30		CCEDRM
C=CC(C)(C)CC(=O)N1CCC[C@H]1C(=O)NCC(=O)[O-]	ZINC000910754990	613445168	/nfs/dbraw/zinc/44/51/68/613445168.db2.gz	GERXDRXMKOPSCQ-JTQLQIEISA-N	-1	0	282.340	0.781	20	30		CCEDRM
C=C[C@@H](O)C(=O)N1CC2(CCC2)[C@@](F)(C(=O)[O-])C1	ZINC000909940649	613449371	/nfs/dbraw/zinc/44/93/71/613449371.db2.gz	LWONBYNIZYEFBY-PELKAZGASA-N	-1	0	257.261	0.339	20	30		CCEDRM
C=C[C@@H](O)C(=O)N(CCc1ccccc1)CC(=O)[O-]	ZINC000909514625	613449414	/nfs/dbraw/zinc/44/94/14/613449414.db2.gz	BAFOFJZGUULEAN-GFCCVEGCSA-N	-1	0	263.293	0.689	20	30		CCEDRM
C=CC1(S(=O)(=O)[N-]C(=O)/C=C(/C)COC)CC1	ZINC000870839264	613449791	/nfs/dbraw/zinc/44/97/91/613449791.db2.gz	WVVWZJCLXWJTEN-CLFYSBASSA-N	-1	0	259.327	0.744	20	30		CCEDRM
C=CC1(S(=O)(=O)[N-]C(=O)C2(F)CCOCC2)CC1	ZINC000870839168	613450391	/nfs/dbraw/zinc/45/03/91/613450391.db2.gz	DXAGNZIESUPZGI-UHFFFAOYSA-N	-1	0	277.317	0.670	20	30		CCEDRM
C=C[C@@H](O)C(=O)N1CCc2c(F)ccc(C(=O)[O-])c2C1	ZINC000910207114	613450740	/nfs/dbraw/zinc/45/07/40/613450740.db2.gz	FOHOMMPBYLFGAR-GFCCVEGCSA-N	-1	0	279.267	0.956	20	30		CCEDRM
C=C[C@@H](O)C(=O)N1CCc2c(C(=O)[O-])ccc(OC)c2C1	ZINC000910384929	613450821	/nfs/dbraw/zinc/45/08/21/613450821.db2.gz	KKOITRYVXFYDLY-GFCCVEGCSA-N	-1	0	291.303	0.825	20	30		CCEDRM
C=CC1(S(=O)(=O)[N-]C(=O)COCc2ccnn2C)CC1	ZINC000870836658	613450860	/nfs/dbraw/zinc/45/08/60/613450860.db2.gz	KTKQUGZLRIROMX-UHFFFAOYSA-N	-1	0	299.352	0.101	20	30		CCEDRM
C=C[C@@H](O)C(=O)NC[C@@H](CC1CCCC1)C(=O)[O-]	ZINC000908288854	613451636	/nfs/dbraw/zinc/45/16/36/613451636.db2.gz	OVDVPYURHHAZNK-GHMZBOCLSA-N	-1	0	255.314	0.931	20	30		CCEDRM
C=C[C@@H](O)C(=O)N[C@@H](CC(=O)[O-])Cc1ccccc1	ZINC000908230110	613452151	/nfs/dbraw/zinc/45/21/51/613452151.db2.gz	ZXKPESZBWBDXDD-VXGBXAGGSA-N	-1	0	263.293	0.736	20	30		CCEDRM
C=CC1(S(=O)(=O)[N-]C(=O)c2cncc(OC)n2)CC1	ZINC000870836896	613452263	/nfs/dbraw/zinc/45/22/63/613452263.db2.gz	QHVUKEHIDKNSCJ-UHFFFAOYSA-N	-1	0	283.309	0.263	20	30		CCEDRM
C=CCC(CC=C)C(=O)[N-]S(=O)(=O)CC(=O)OC	ZINC000838800433	613453242	/nfs/dbraw/zinc/45/32/42/613453242.db2.gz	CVCFBCIMLSGSOV-UHFFFAOYSA-N	-1	0	275.326	0.374	20	30		CCEDRM
C=CCC(C)(C)C(=O)N[C@H](C)C(=O)N[C@@H](C)C(=O)[O-]	ZINC000910748712	613453075	/nfs/dbraw/zinc/45/30/75/613453075.db2.gz	VQUPUOQFCIDUAJ-BDAKNGLRSA-N	-1	0	270.329	0.683	20	30		CCEDRM
C=CCC1(C(=O)[O-])CN(S(=O)(=O)[C@H](C)CCOC)C1	ZINC000906007245	613456847	/nfs/dbraw/zinc/45/68/47/613456847.db2.gz	XUGPUCBEHBYBDC-SNVBAGLBSA-N	-1	0	291.369	0.704	20	30		CCEDRM
C=CCC1(S(=O)(=O)[N-]C(=O)CCCCC(N)=O)CC1	ZINC000810983501	613460802	/nfs/dbraw/zinc/46/08/02/613460802.db2.gz	CDLIFHCZLKSMFI-UHFFFAOYSA-N	-1	0	288.369	0.587	20	30		CCEDRM
C=CCCC(=O)N1CC[C@@H](n2cc(C(=O)[O-])nn2)C1	ZINC000818317840	613462290	/nfs/dbraw/zinc/46/22/90/613462290.db2.gz	POZKJKCOSQWALK-SECBINFHSA-N	-1	0	264.285	0.716	20	30		CCEDRM
C=CCCCC(=O)Nc1nc(C#N)c(-c2nn[nH]n2)[n-]1	ZINC000819733860	613465259	/nfs/dbraw/zinc/46/52/59/613465259.db2.gz	DCEZUIDGGWZHNS-UHFFFAOYSA-N	-1	0	272.272	0.756	20	30		CCEDRM
C=CCCC[C@@H](NC(=O)c1ccnn1C)C(=O)[O-]	ZINC000910919247	613471471	/nfs/dbraw/zinc/47/14/71/613471471.db2.gz	VLODNUVGQFPGND-SECBINFHSA-N	-1	0	251.286	0.959	20	30		CCEDRM
C=CCCC[C@@H](NC(=O)[C@H]1CN(C)CCO1)C(=O)[O-]	ZINC000910918324	613471546	/nfs/dbraw/zinc/47/15/46/613471546.db2.gz	YAJWVODGBYTOGR-GHMZBOCLSA-N	-1	0	270.329	0.243	20	30		CCEDRM
C=CCCC[C@@H](NS(=O)(=O)N1CC[C@H](C)C1)C(=O)[O-]	ZINC000903059924	613471779	/nfs/dbraw/zinc/47/17/79/613471779.db2.gz	XOAITEHDESTWCC-WDEREUQCSA-N	-1	0	290.385	0.972	20	30		CCEDRM
C=CCCC[C@H](NC(=O)NC[C@H]1COCCO1)C(=O)[O-]	ZINC000905534094	613473396	/nfs/dbraw/zinc/47/33/96/613473396.db2.gz	HIZMEFUMSLTCDK-QWRGUYRKSA-N	-1	0	286.328	0.511	20	30		CCEDRM
C=CCCC[C@H](NS(=O)(=O)C[C@@H](C)OC)C(=O)[O-]	ZINC000903059045	613474931	/nfs/dbraw/zinc/47/49/31/613474931.db2.gz	LEXCYHWEPWDHMX-ZJUUUORDSA-N	-1	0	279.358	0.750	20	30		CCEDRM
C=C[C@@](C)(CCOC)C(=O)N1CCO[C@](C)(C(=O)[O-])C1	ZINC000910330611	613476295	/nfs/dbraw/zinc/47/62/95/613476295.db2.gz	RVCYYBCCCOZRCO-KBPBESRZSA-N	-1	0	285.340	0.917	20	30		CCEDRM
C=C[C@@](C)(CCOC)C(=O)N1CCO[C@@H](C(=O)[O-])C1	ZINC000909215412	613476431	/nfs/dbraw/zinc/47/64/31/613476431.db2.gz	DJTZVBUSCWTHMQ-MFKMUULPSA-N	-1	0	271.313	0.527	20	30		CCEDRM
C=C[C@H](C)O[N-]C(=O)C(=O)Nc1ccn(CC(F)F)n1	ZINC000846154876	613483700	/nfs/dbraw/zinc/48/37/00/613483700.db2.gz	QLTRNZVQQQMIKJ-ZETCQYMHSA-N	-1	0	288.254	0.709	20	30		CCEDRM
C=C[C@H](C)O[N-]C(=O)C(=O)Nc1c(OC)ccnc1OC	ZINC000890357899	613483716	/nfs/dbraw/zinc/48/37/16/613483716.db2.gz	CGGIHFNNCRJOFL-QMMMGPOBSA-N	-1	0	295.295	0.660	20	30		CCEDRM
C=C[C@H](C)O[N-]C(=O)CN1C(=O)[C@@H]2CCCC[C@@H]2C1=O	ZINC000846541636	613484106	/nfs/dbraw/zinc/48/41/06/613484106.db2.gz	JTEKHEITXAQWPO-GARJFASQSA-N	-1	0	280.324	0.784	20	30		CCEDRM
C=C[C@H](C)O[N-]C(=O)[C@H](C(C)C)N1CCCS1(=O)=O	ZINC000846549912	613488143	/nfs/dbraw/zinc/48/81/43/613488143.db2.gz	UNUHJZATDHHWMJ-QWRGUYRKSA-N	-1	0	290.385	0.669	20	30		CCEDRM
C=C[C@H](CCC(=O)[O-])NS(=O)(=O)CC[C@H]1CCOC1	ZINC000871741566	613490043	/nfs/dbraw/zinc/49/00/43/613490043.db2.gz	BLMAOZTVLLEENQ-GHMZBOCLSA-N	-1	0	291.369	0.752	20	30		CCEDRM
C=C[C@H](O)C(=O)N[C@@H](C)c1ncc(C(=O)[O-])s1	ZINC000910151356	613496885	/nfs/dbraw/zinc/49/68/85/613496885.db2.gz	APULDLMJJTZKEZ-WDSKDSINSA-N	-1	0	256.283	0.565	20	30		CCEDRM
C=C[C@H](O)C(=O)N[C@@H](CC(=O)[O-])c1ccc(OC)cc1	ZINC000908595340	613496965	/nfs/dbraw/zinc/49/69/65/613496965.db2.gz	PQHVCXKHNDENMU-RYUDHWBXSA-N	-1	0	279.292	0.874	20	30		CCEDRM
C=C[C@](C)(O)C(=O)NCc1ccc(C(=O)[O-])s1	ZINC000909847721	613507828	/nfs/dbraw/zinc/50/78/28/613507828.db2.gz	MAXYSLSWWDVNTL-NSHDSACASA-N	-1	0	255.295	1.000	20	30		CCEDRM
CC#CCCNC(=O)N[C@](C)(Cn1cccn1)C(=O)[O-]	ZINC000900292184	613522836	/nfs/dbraw/zinc/52/28/36/613522836.db2.gz	SMNLZBFVKFJPIL-CYBMUJFWSA-N	-1	0	278.312	0.439	20	30		CCEDRM
C=CCCO[C@H](C)C(=O)N1C[C@@H](F)C[C@H]1C(=O)[O-]	ZINC000910443178	613579145	/nfs/dbraw/zinc/57/91/45/613579145.db2.gz	DMUHPHPFKXZDDK-UTLUCORTSA-N	-1	0	259.277	0.991	20	30		CCEDRM
C=CCCO[N-]C(=O)CN1C(=O)NC(CC)(CC)C1=O	ZINC000856028809	613576819	/nfs/dbraw/zinc/57/68/19/613576819.db2.gz	QOERWRHPGASGFW-UHFFFAOYSA-N	-1	0	283.328	0.721	20	30		CCEDRM
C=CCCO[C@@H](C)C(=O)N1CC[C@](O)(C(=O)[O-])C1	ZINC000910531197	613578327	/nfs/dbraw/zinc/57/83/27/613578327.db2.gz	QSISPDWYTFFWCU-JOYOIKCWSA-N	-1	0	257.286	0.016	20	30		CCEDRM
C=CCCO[C@H](C)C(=O)[N-]S(=O)(=O)C1(C)CC1	ZINC000806028289	613579532	/nfs/dbraw/zinc/57/95/32/613579532.db2.gz	CFSICXFPHSBAAD-SECBINFHSA-N	-1	0	261.343	0.966	20	30		CCEDRM
C=CCCO[C@H](C)C(=O)O[C@H]1CN(C(=O)[O-])CCC1=O	ZINC000823497202	613580180	/nfs/dbraw/zinc/58/01/80/613580180.db2.gz	YOUDZLNHLCBVCV-KOLCDFICSA-N	-1	0	285.296	0.832	20	30		CCEDRM
C=CCCS(=O)(=O)N1CCO[C@H]([C@H](C)NC(=O)[O-])C1	ZINC000823500855	613580690	/nfs/dbraw/zinc/58/06/90/613580690.db2.gz	MLQSRBVGEVCBMV-UWVGGRQHSA-N	-1	0	292.357	0.249	20	30		CCEDRM
C=CCCS(=O)(=O)N1C[C@H](C)N(C(=O)[O-])[C@@H](C)C1	ZINC000823500971	613581243	/nfs/dbraw/zinc/58/12/43/613581243.db2.gz	OGAKFTCIUXAZSR-UWVGGRQHSA-N	-1	0	276.358	0.965	20	30		CCEDRM
C=CCC[C@@H](NC(=O)C1(COC)CCOCC1)C(=O)[O-]	ZINC000909713556	613584380	/nfs/dbraw/zinc/58/43/80/613584380.db2.gz	RLWGDYZFFWCVOO-LLVKDONJSA-N	-1	0	285.340	0.965	20	30		CCEDRM
C=CCC[C@H](NC(=O)[C@@H]1CCc2cncn2C1)C(=O)[O-]	ZINC000909715699	613590022	/nfs/dbraw/zinc/59/00/22/613590022.db2.gz	NTVDDNZKTQHVDF-PWSUYJOCSA-N	-1	0	277.324	0.981	20	30		CCEDRM
C=CCC[C@H](NC(=O)[C@@H]1CCc2nccn2C1)C(=O)[O-]	ZINC000909717419	613590123	/nfs/dbraw/zinc/59/01/23/613590123.db2.gz	ZNYDSEKXUMUFDU-MNOVXSKESA-N	-1	0	277.324	0.981	20	30		CCEDRM
C=CCC[C@H](NC(=O)[C@H](O)c1cccnc1)C(=O)[O-]	ZINC000909718146	613590178	/nfs/dbraw/zinc/59/01/78/613590178.db2.gz	MYOOLEWSWQPAAV-WDEREUQCSA-N	-1	0	264.281	0.651	20	30		CCEDRM
C=CCC[C@H](O)CN1Cc2nnc(C)n2C[C@@H]1C(=O)[O-]	ZINC000923243427	613590952	/nfs/dbraw/zinc/59/09/52/613590952.db2.gz	GYJUEYVHWRQSCI-WDEREUQCSA-N	-1	0	280.328	0.182	20	30		CCEDRM
C=CCC[C@H](O)Cn1cc(C[N-]C(=O)C(F)(F)F)nn1	ZINC000881406165	613591674	/nfs/dbraw/zinc/59/16/74/613591674.db2.gz	HDWQNMZDRFDBHM-VIFPVBQESA-N	-1	0	292.261	0.784	20	30		CCEDRM
C=CCN(C(=O)COC1CN(C(=O)[O-])C1)C(C)C	ZINC000823500235	613605232	/nfs/dbraw/zinc/60/52/32/613605232.db2.gz	CWUKHGHZFFWHGC-UHFFFAOYSA-N	-1	0	256.302	0.788	20	30		CCEDRM
C=CCN(CC(=O)[O-])C(=O)CCc1cncn1C	ZINC000909514377	613642037	/nfs/dbraw/zinc/64/20/37/613642037.db2.gz	GBLJLEYQCLBSMD-UHFFFAOYSA-N	-1	0	251.286	0.452	20	30		CCEDRM
C=CCN(CC(=O)[O-])C(=O)NCc1cn(C)nc1OC	ZINC000900305392	613642762	/nfs/dbraw/zinc/64/27/62/613642762.db2.gz	IJIBLTUOPNASJI-UHFFFAOYSA-N	-1	0	282.300	0.211	20	30		CCEDRM
C=CCN(CC(=O)[O-])C(=O)N[C@@H]1C[C@H](OCC)[C@@H]1OC	ZINC000909197074	613643111	/nfs/dbraw/zinc/64/31/11/613643111.db2.gz	SMTYHVYOKHOJEY-JFGNBEQYSA-N	-1	0	286.328	0.461	20	30		CCEDRM
C=CCN(CC(=O)[O-])C(=O)[C@H](OC)c1cnn(C)c1	ZINC000909516654	613643153	/nfs/dbraw/zinc/64/31/53/613643153.db2.gz	LZUZNGGQEMIOIB-LLVKDONJSA-N	-1	0	267.285	0.207	20	30		CCEDRM
C=CCN(CC(=O)[O-])C(=O)[C@@H](CC)N1CCO[C@H](CC)C1	ZINC000909516955	613643183	/nfs/dbraw/zinc/64/31/83/613643183.db2.gz	VIQIZMMJLVUIRZ-CHWSQXEVSA-N	-1	0	298.383	0.975	20	30		CCEDRM
C=CCN(CC(=O)[O-])C(=O)c1cncc(COC)c1	ZINC000851603244	613643630	/nfs/dbraw/zinc/64/36/30/613643630.db2.gz	MICKJWWJQLXTMS-UHFFFAOYSA-N	-1	0	264.281	0.941	20	30		CCEDRM
CC#CCS(=O)(=O)[N-]C(=O)COc1cccc(C#N)c1	ZINC000810771554	613645873	/nfs/dbraw/zinc/64/58/73/613645873.db2.gz	LPMHARRUPZIJGM-UHFFFAOYSA-N	-1	0	292.316	0.406	20	30		CCEDRM
CC#CCS(=O)(=O)[N-]C(=O)Cc1cccc(OC)c1	ZINC000791111248	613646124	/nfs/dbraw/zinc/64/61/24/613646124.db2.gz	RHUGPEGAVMCAEU-UHFFFAOYSA-N	-1	0	281.333	0.707	20	30		CCEDRM
CC#CCS(=O)(=O)[N-]C(=O)C[C@@H](C)n1nc(C)cc1C	ZINC000810771153	613646208	/nfs/dbraw/zinc/64/62/08/613646208.db2.gz	HEPZEKAUDCHFIR-GFCCVEGCSA-N	-1	0	297.380	0.920	20	30		CCEDRM
C=CCN(CC=C)C(=O)CN(C)[C@@H]1CCN(C(=O)[O-])C1	ZINC000823501574	613646516	/nfs/dbraw/zinc/64/65/16/613646516.db2.gz	ZGIYTARJESPIFZ-GFCCVEGCSA-N	-1	0	281.356	0.871	20	30		CCEDRM
CC#CCS(=O)(=O)[N-]C(=O)[C@@H]1Cc2cccc(C)c2O1	ZINC000835372882	613646553	/nfs/dbraw/zinc/64/65/53/613646553.db2.gz	ZNUCUBYGVFURFG-LBPRGKRZSA-N	-1	0	293.344	0.768	20	30		CCEDRM
CC#CCS(=O)(=O)[N-]C(=O)[C@H]1CCC(=O)[C@H](C)C1	ZINC000810771219	613647140	/nfs/dbraw/zinc/64/71/40/613647140.db2.gz	ICDPRAWGJNHJDX-ZJUUUORDSA-N	-1	0	271.338	0.461	20	30		CCEDRM
CC#CCS(=O)(=O)[N-]C(=O)[C@H](OCC)C1CC1	ZINC000860721226	613647187	/nfs/dbraw/zinc/64/71/87/613647187.db2.gz	AMVMDZSWMIWQEQ-SNVBAGLBSA-N	-1	0	259.327	0.271	20	30		CCEDRM
CC#CCS(=O)(=O)[N-]C(=O)[C@]1(C)C[C@H]2C[C@H]2C1	ZINC000816056240	613647215	/nfs/dbraw/zinc/64/72/15/613647215.db2.gz	KKCJCSVPTPRXCW-PEGIJTEDSA-N	-1	0	255.339	0.892	20	30		CCEDRM
CC#CCS(=O)(=O)[N-]C(=O)[C@H]1C[C@H]2CC(=O)[C@@H]1C2	ZINC000838870867	613647262	/nfs/dbraw/zinc/64/72/62/613647262.db2.gz	HBWNBEIHINRVEL-AEJSXWLSSA-N	-1	0	269.322	0.071	20	30		CCEDRM
C=CCN1CC[C@@H](N2CCCC[C@@H]2C(=O)[O-])C1=O	ZINC000873646304	613739960	/nfs/dbraw/zinc/73/99/60/613739960.db2.gz	HLBMDFNDAOHWIN-GHMZBOCLSA-N	-1	0	252.314	0.712	20	30		CCEDRM
CC(=O)N1CC(C(=O)[N-]Oc2cccc(C#N)c2)C1	ZINC000870691371	613760866	/nfs/dbraw/zinc/76/08/66/613760866.db2.gz	JHWBMAOZGIAVOP-UHFFFAOYSA-N	-1	0	259.265	0.447	20	30		CCEDRM
C=CCNC(=O)CN(C)c1ccc(OCC(=O)[O-])cc1	ZINC000833376982	613845055	/nfs/dbraw/zinc/84/50/55/613845055.db2.gz	IOLBWQZVAHGCNN-UHFFFAOYSA-N	-1	0	278.308	0.888	20	30		CCEDRM
C=CCNC(=O)CN1CCC[C@@H]1c1ncc(OC)c(=O)[nH]1	ZINC000934278003	613845417	/nfs/dbraw/zinc/84/54/17/613845417.db2.gz	QVSIZGUTYOAEJG-SNVBAGLBSA-N	-1	0	292.339	0.630	20	30		CCEDRM
C=CCNC(=O)CNC(=O)c1ccccc1NC(=O)[O-]	ZINC000833376644	613846938	/nfs/dbraw/zinc/84/69/38/613846938.db2.gz	MIVUTLJXVWQUMC-UHFFFAOYSA-N	-1	0	277.280	0.809	20	30		CCEDRM
C=CCNC(=O)N1C[C@@H](C(=O)[O-])C2(CC(C(=O)OC)C2)C1	ZINC000887268213	613849411	/nfs/dbraw/zinc/84/94/11/613849411.db2.gz	FQXJMCMZFXUICZ-XIRUVYRFSA-N	-1	0	296.323	0.468	20	30		CCEDRM
C=CCNC(=O)NC(=O)CN1CCN(C(=O)[O-])CC1(C)C	ZINC000823511071	613849636	/nfs/dbraw/zinc/84/96/36/613849636.db2.gz	OXGRLEJWKHBDLB-UHFFFAOYSA-N	-1	0	298.343	0.072	20	30		CCEDRM
C=CCNC(=O)[C@@H](C)OC(=O)C[C@H](C)NC(=O)[O-]	ZINC000823507391	613853774	/nfs/dbraw/zinc/85/37/74/613853774.db2.gz	WWMJGHINCQXAJM-JGVFFNPUSA-N	-1	0	258.274	0.267	20	30		CCEDRM
C=CCNC(=O)[C@@H](C)OC(=O)[C@@](C)(C#N)CC(=O)[O-]	ZINC000819720444	613853890	/nfs/dbraw/zinc/85/38/90/613853890.db2.gz	ZBTIFIHBEZVCRK-PRHODGIISA-N	-1	0	268.269	0.225	20	30		CCEDRM
C=CCNC(=O)[C@H](C#N)C(=O)CC1(NC(=O)[O-])CCC1	ZINC000823506643	613854462	/nfs/dbraw/zinc/85/44/62/613854462.db2.gz	JNYCHTVNLULFDX-SECBINFHSA-N	-1	0	279.296	0.578	20	30		CCEDRM
C=CCNC(=O)C(C#N)=C([O-])c1ccc([N+](=O)[O-])n1C	ZINC000916920235	613855015	/nfs/dbraw/zinc/85/50/15/613855015.db2.gz	ILQVYSSIYOQNNZ-MRVPVSSYSA-N	-1	0	276.252	0.558	20	30		CCEDRM
C=CCNC(=O)[C@H](C)OC(=O)[C@@H]1CCC[C@@H]1NC(=O)[O-]	ZINC000823506021	613855692	/nfs/dbraw/zinc/85/56/92/613855692.db2.gz	AYWYRMLMDBNGAO-AEJSXWLSSA-N	-1	0	284.312	0.657	20	30		CCEDRM
C=CCNC(=S)NN=Cc1c[nH]c(C(=O)[O-])c1	ZINC000814715060	613857698	/nfs/dbraw/zinc/85/76/98/613857698.db2.gz	HGHDQNQJIPJSIK-UHFFFAOYSA-N	-1	0	252.299	0.697	20	30		CCEDRM
C=CCOCC(=O)N1CC[C@H](OC)C[C@@H]1C(=O)[O-]	ZINC000833375964	613879157	/nfs/dbraw/zinc/87/91/57/613879157.db2.gz	PMHUDTRSVFLMFM-VHSXEESVSA-N	-1	0	257.286	0.280	20	30		CCEDRM
C=CCOCC(=O)N[C@@H](CC(F)(F)F)C(=O)[O-]	ZINC000909669211	613879369	/nfs/dbraw/zinc/87/93/69/613879369.db2.gz	PYDMQINGNDOQBS-LURJTMIESA-N	-1	0	255.192	0.711	20	30		CCEDRM
C=CCOCC(=O)N[C@H]1CCCn2nc(C(=O)[O-])cc21	ZINC000908113110	613879492	/nfs/dbraw/zinc/87/94/92/613879492.db2.gz	CPYVEHMXDDCVGP-VIFPVBQESA-N	-1	0	279.296	0.735	20	30		CCEDRM
C=CCOCC(=O)N[C@H](C)C1(C(=O)[O-])CCOCC1	ZINC000907912689	613879555	/nfs/dbraw/zinc/87/95/55/613879555.db2.gz	CDIFUHXUKGCIND-SNVBAGLBSA-N	-1	0	271.313	0.575	20	30		CCEDRM
C=CCOCCn1cc(C[N-]C(=O)C(F)(F)F)nn1	ZINC000881285587	613881583	/nfs/dbraw/zinc/88/15/83/613881583.db2.gz	GNHKGLGFKXXQRR-UHFFFAOYSA-N	-1	0	278.234	0.659	20	30		CCEDRM
C=CCOC[C@@H](NC(=O)Cc1ccc(O)c(F)c1)C(=O)[O-]	ZINC000909770728	613881641	/nfs/dbraw/zinc/88/16/41/613881641.db2.gz	KKNAHWOKLDYXJW-LLVKDONJSA-N	-1	0	297.282	0.846	20	30		CCEDRM
C=CCOC[C@@H](NC(=O)NC[C@H]1C=CCC1)C(=O)[O-]	ZINC000905559413	613881657	/nfs/dbraw/zinc/88/16/57/613881657.db2.gz	LLLOVQZHQPSOAJ-WDEREUQCSA-N	-1	0	268.313	0.908	20	30		CCEDRM
C=CCOC[C@@H](NC(=O)C[C@H](C)n1cccn1)C(=O)[O-]	ZINC000909765260	613881688	/nfs/dbraw/zinc/88/16/88/613881688.db2.gz	AXFKNQCGUSMTFR-WDEREUQCSA-N	-1	0	281.312	0.606	20	30		CCEDRM
C=CCOC[C@@H](NC(=O)[C@@H]1CCO[C@H]1C1CC1)C(=O)[O-]	ZINC000909765787	613881746	/nfs/dbraw/zinc/88/17/46/613881746.db2.gz	FCCBZHVCTGVGCY-UTUOFQBUSA-N	-1	0	283.324	0.574	20	30		CCEDRM
C=CCOC[C@@H](NC(=O)N[C@H]1COC(C)(C)C1)C(=O)[O-]	ZINC000909202591	613881831	/nfs/dbraw/zinc/88/18/31/613881831.db2.gz	QJUYSCIEKHZROS-NXEZZACHSA-N	-1	0	286.328	0.509	20	30		CCEDRM
C=CCOC[C@@H](NC(=O)[C@H]1CCn2ccnc2C1)C(=O)[O-]	ZINC000909771557	613881936	/nfs/dbraw/zinc/88/19/36/613881936.db2.gz	NXVGPPSUBOLJIR-WDEREUQCSA-N	-1	0	293.323	0.218	20	30		CCEDRM
C=CCOC[C@H](NC(=O)[C@@H](O)C1CCCCC1)C(=O)[O-]	ZINC000909769501	613882460	/nfs/dbraw/zinc/88/24/60/613882460.db2.gz	CTDOFKIYLCDWBF-RYUDHWBXSA-N	-1	0	285.340	0.700	20	30		CCEDRM
C=CCOC[C@H](NC(=O)[C@@H]1CCC(C)(C)O1)C(=O)[O-]	ZINC000909765846	613882474	/nfs/dbraw/zinc/88/24/74/613882474.db2.gz	GECAKZDVBOKNMT-UWVGGRQHSA-N	-1	0	271.313	0.716	20	30		CCEDRM
C=CCOC[C@H](NC(=O)N[C@H](C)[C@H]1CCOC1)C(=O)[O-]	ZINC000797726432	613882506	/nfs/dbraw/zinc/88/25/06/613882506.db2.gz	FZNNVUDTTLUWLW-VWYCJHECSA-N	-1	0	286.328	0.366	20	30		CCEDRM
C=CCOC[C@H](NC(=O)[C@@](C)(CC)OC)C(=O)[O-]	ZINC000909769717	613882574	/nfs/dbraw/zinc/88/25/74/613882574.db2.gz	BJZAXFJBIJDZSS-JOYOIKCWSA-N	-1	0	259.302	0.574	20	30		CCEDRM
C=CCOC[C@H](NC(=O)c1ccc(CO)cc1)C(=O)[O-]	ZINC000909771537	613882681	/nfs/dbraw/zinc/88/26/81/613882681.db2.gz	QSTDKSSTZNSCOZ-LBPRGKRZSA-N	-1	0	279.292	0.565	20	30		CCEDRM
C=CCO[N-]C(=O)C(=O)Nc1c2c(nn1C)CCCC2	ZINC000873907339	613883020	/nfs/dbraw/zinc/88/30/20/613883020.db2.gz	FLKPOGSAKIGOGT-UHFFFAOYSA-N	-1	0	278.312	0.471	20	30		CCEDRM
C=CCO[N-]C(=O)CN1CCN(c2ccccn2)CC1	ZINC000837047418	613883147	/nfs/dbraw/zinc/88/31/47/613883147.db2.gz	FGTNQSLWLUCWBV-UHFFFAOYSA-N	-1	0	276.340	0.437	20	30		CCEDRM
C=CCO[N-]C(=O)[C@@H]1CSCN1C(=O)OCC	ZINC000821891737	613884435	/nfs/dbraw/zinc/88/44/35/613884435.db2.gz	NPZDKRJSEIIYMO-QMMMGPOBSA-N	-1	0	260.315	0.752	20	30		CCEDRM
C=CCO[N-]C(=O)[C@H](NS(=O)(=O)C1CC1)C(C)C	ZINC000854852586	613884526	/nfs/dbraw/zinc/88/45/26/613884526.db2.gz	QIEAHGUGEKYTHA-SNVBAGLBSA-N	-1	0	276.358	0.327	20	30		CCEDRM
C=CCO[N-]C(=O)[C@H](C)N1C(=O)[C@@H]2CCCC[C@@H]2C1=O	ZINC000837044553	613884548	/nfs/dbraw/zinc/88/45/48/613884548.db2.gz	OJTNLVJNKKUYMW-GARJFASQSA-N	-1	0	280.324	0.784	20	30		CCEDRM
C=CCS(=O)(=O)[N-]C(=O)Cc1ccc(NC(C)=O)cc1	ZINC000132739513	613886111	/nfs/dbraw/zinc/88/61/11/613886111.db2.gz	ARVMQIOJYUOSHP-UHFFFAOYSA-N	-1	0	296.348	0.820	20	30		CCEDRM
C=CCS(=O)(=O)[N-]C(=O)[C@H](Cc1ccccc1)OC	ZINC000835254278	613886230	/nfs/dbraw/zinc/88/62/30/613886230.db2.gz	VJZQBNVNVYGLCH-LBPRGKRZSA-N	-1	0	283.349	0.876	20	30		CCEDRM
C=CCS(=O)(=O)[N-]C(=O)[C@]12CCC[C@H]1OCC2	ZINC000870259027	613886281	/nfs/dbraw/zinc/88/62/81/613886281.db2.gz	MEOSQCCNLLMWFH-KOLCDFICSA-N	-1	0	259.327	0.578	20	30		CCEDRM
C=CCS(=O)(=O)[N-]C(=O)c1cccc2c1CC(=O)CC2	ZINC000810644339	613886329	/nfs/dbraw/zinc/88/63/29/613886329.db2.gz	YGEOHQJZAOHDBG-UHFFFAOYSA-N	-1	0	293.344	0.990	20	30		CCEDRM
CC(C)NC(=O)C(C#N)=C([O-])c1c[nH]c(-c2nn[nH]n2)c1	ZINC000824300637	613930709	/nfs/dbraw/zinc/93/07/09/613930709.db2.gz	IKJHUBSLXQRIFD-QMMMGPOBSA-N	-1	0	287.283	0.042	20	30		CCEDRM
CC(C)OCCCNC(=O)C(C#N)=C([O-])c1cnnn1C	ZINC000798815220	614012652	/nfs/dbraw/zinc/01/26/52/614012652.db2.gz	LNLISIJNXVCKIY-JTQLQIEISA-N	-1	0	293.327	0.069	20	30		CCEDRM
CC(C)(C)[C@@H](C#N)NC(=O)COC1CN(C(=O)[O-])C1	ZINC000823760577	614020958	/nfs/dbraw/zinc/02/09/58/614020958.db2.gz	SVMPKXGXSMXOIN-SECBINFHSA-N	-1	0	269.301	0.420	20	30		CCEDRM
CC(C)Oc1ccc(C(=O)[N-]S(=O)(=O)CCC#N)cn1	ZINC000821582322	614055537	/nfs/dbraw/zinc/05/55/37/614055537.db2.gz	JWFVDGVPXKDPNZ-UHFFFAOYSA-N	-1	0	297.336	0.842	20	30		CCEDRM
CC(C)(C)n1cccc(C(=O)N[C@H]2CCN(O)C2=O)c1=O	ZINC000820126811	614063770	/nfs/dbraw/zinc/06/37/70/614063770.db2.gz	GNCPNDRLKSSYNQ-JTQLQIEISA-N	-1	0	293.323	0.323	20	30		CCEDRM
CC(C)[C@@H](C)C(=O)N1CCN(C(=O)[O-])C[C@@H]1C#N	ZINC000824063730	614083333	/nfs/dbraw/zinc/08/33/33/614083333.db2.gz	DYWYALIBYQPIQS-ZJUUUORDSA-N	-1	0	253.302	0.993	20	30		CCEDRM
CC(C)(CNC(=O)[O-])NC(=O)NC1CCN(CC#N)CC1	ZINC000823978613	614103672	/nfs/dbraw/zinc/10/36/72/614103672.db2.gz	ILKUTDMNGJHXBI-UHFFFAOYSA-N	-1	0	297.359	0.320	20	30		CCEDRM
CC(C)CNC(=O)[C@H](C)OC(=O)[C@@](C)(C#N)CC(=O)[O-]	ZINC000819976804	614142571	/nfs/dbraw/zinc/14/25/71/614142571.db2.gz	GBNNJGHDTXDKOJ-TVQRCGJNSA-N	-1	0	284.312	0.695	20	30		CCEDRM
CC(=O)Nc1nc(C(=O)[N-]S(C)(=O)=O)cs1	ZINC000042280693	614209067	/nfs/dbraw/zinc/20/90/67/614209067.db2.gz	GDBDBDKAEZOFFA-UHFFFAOYSA-N	-1	0	263.300	0.366	20	30		CCEDRM
CC(C)Cn1[n-]c(CC(=O)N(CC#N)C2CC2)cc1=O	ZINC000930615708	614234978	/nfs/dbraw/zinc/23/49/78/614234978.db2.gz	HODSASHLSPLYEU-UHFFFAOYSA-N	-1	0	276.340	0.889	20	30		CCEDRM
CC(C)(C#N)CNC(=O)Nc1ccn(CC(=O)[O-])n1	ZINC000833413570	614285793	/nfs/dbraw/zinc/28/57/93/614285793.db2.gz	QDJRLAQDAJUPOW-UHFFFAOYSA-N	-1	0	265.273	0.639	20	30		CCEDRM
CC(C)N1CCN(C(=O)[C@@](C)(C#N)CC(=O)[O-])CC1=O	ZINC000820024868	614357719	/nfs/dbraw/zinc/35/77/19/614357719.db2.gz	DCNORZIESFBEEI-CYBMUJFWSA-N	-1	0	281.312	0.070	20	30		CCEDRM
CC(CCN1C(=O)c2ccccc2C1=O)=NNCC(=O)[O-]	ZINC000814958486	614378441	/nfs/dbraw/zinc/37/84/41/614378441.db2.gz	WSRXNSYZLWHCEG-UHFFFAOYSA-N	-1	0	289.291	0.723	20	30		CCEDRM
CC1CCN(C(=O)CN(CC#N)CC(=O)[O-])CC1	ZINC000828276652	614429233	/nfs/dbraw/zinc/42/92/33/614429233.db2.gz	DRUJANGVHJWHPX-UHFFFAOYSA-N	-1	0	253.302	0.155	20	30		CCEDRM
CCC(C#N)(CC)C(=O)N1C[C@@H]2COC[C@]2(C(=O)[O-])C1	ZINC000902061646	614470582	/nfs/dbraw/zinc/47/05/82/614470582.db2.gz	RUAATKNTTJUHQB-QMTHXVAHSA-N	-1	0	280.324	0.876	20	30		CCEDRM
CCCn1cc(C=CC([O-])=C2C(=O)C=C(C)OC2=O)nn1	ZINC000865214524	614511123	/nfs/dbraw/zinc/51/11/23/614511123.db2.gz	UDMGMRSPARZKIR-MUBLQREKSA-N	-1	0	289.291	0.916	20	30		CCEDRM
CCCN(C)S(=O)(=O)[N-]C(=O)c1cccc(C#N)c1	ZINC000120611293	614524950	/nfs/dbraw/zinc/52/49/50/614524950.db2.gz	JBGNOYYDGROXBQ-UHFFFAOYSA-N	-1	0	281.337	0.875	20	30		CCEDRM
CCC(CC)(CO)CNC(=O)[C@](C)(C#N)CC(=O)[O-]	ZINC000820273187	614527959	/nfs/dbraw/zinc/52/79/59/614527959.db2.gz	WWTNPXZMCFNQAA-LBPRGKRZSA-N	-1	0	270.329	0.906	20	30		CCEDRM
CCCNC(=S)NN=Cc1c[nH]c(C(=O)[O-])c1	ZINC000814761709	614877207	/nfs/dbraw/zinc/87/72/07/614877207.db2.gz	VVEUFDFUGNAXRE-UHFFFAOYSA-N	-1	0	254.315	0.921	20	30		CCEDRM
CCCCCCCS(=O)(=O)[N-]c1nnn(C)n1	ZINC000872007632	614903982	/nfs/dbraw/zinc/90/39/82/614903982.db2.gz	VHJHDKQJSWMSAB-UHFFFAOYSA-N	-1	0	261.351	0.922	20	30		CCEDRM
CCCCC[C@@H](NS(=O)(=O)N(C)CCC#N)C(=O)[O-]	ZINC000829339967	614929374	/nfs/dbraw/zinc/92/93/74/614929374.db2.gz	MRYQAFAPTXUNEG-SNVBAGLBSA-N	-1	0	291.373	0.700	20	30		CCEDRM
CCCOc1cccnc1C(=O)N[C@H]1CCCN(O)C1=O	ZINC000848134266	614953799	/nfs/dbraw/zinc/95/37/99/614953799.db2.gz	QNNICOQJZNJVLD-JTQLQIEISA-N	-1	0	293.323	0.980	20	30		CCEDRM
CC1=C(C(=O)[O-])C[C@H](CN2CCOC[C@@H]2C#N)O1	ZINC000833581205	614960381	/nfs/dbraw/zinc/96/03/81/614960381.db2.gz	VFRNXIUQPZPXMJ-VHSXEESVSA-N	-1	0	252.270	0.358	20	30		CCEDRM
CCCS(=O)(=O)N1CCC[C@@H](C#CC(=O)[O-])C1	ZINC000899927259	614964124	/nfs/dbraw/zinc/96/41/24/614964124.db2.gz	UJVOOVGXGRZDJJ-JTQLQIEISA-N	-1	0	259.327	0.526	20	30		CCEDRM
CCN(CCC#N)C(=O)Nc1ccn(CC(=O)[O-])n1	ZINC000829692748	615023334	/nfs/dbraw/zinc/02/33/34/615023334.db2.gz	OHSJGSQYKJGLEH-UHFFFAOYSA-N	-1	0	265.273	0.735	20	30		CCEDRM
CCC[C@H](NC(=O)[O-])C(=O)NC[C@H]1CCCN(CC#N)C1	ZINC000826752418	615044581	/nfs/dbraw/zinc/04/45/81/615044581.db2.gz	URCIUHWNNWQIHH-NEPJUHHUSA-N	-1	0	296.371	0.774	20	30		CCEDRM
CCN(C[C@H](C)C#N)C(=O)[C@H]1CN(C(=O)[O-])CCO1	ZINC000827019797	615064930	/nfs/dbraw/zinc/06/49/30/615064930.db2.gz	DNCQBWBNFXTJIJ-NXEZZACHSA-N	-1	0	269.301	0.373	20	30		CCEDRM
CCOC(=O)c1ccc(C([O-])=C(C#N)C(=O)NC)nc1C	ZINC000917001918	615181006	/nfs/dbraw/zinc/18/10/06/615181006.db2.gz	BHCAVYMDIYTZDE-JTQLQIEISA-N	-1	0	289.291	0.635	20	30		CCEDRM
CCOCCS(=O)(=O)[N-]C(=O)c1cc(C#N)oc1C	ZINC000797947633	615297310	/nfs/dbraw/zinc/29/73/10/615297310.db2.gz	VVGXOTLFUVRMBZ-UHFFFAOYSA-N	-1	0	286.309	0.556	20	30		CCEDRM
CCO[N-]C(=O)CNC(=O)N[C@@H](C)c1cccc(C#N)c1	ZINC000845543730	615365162	/nfs/dbraw/zinc/36/51/62/615365162.db2.gz	KEZIPXOUUXKJEO-JTQLQIEISA-N	-1	0	290.323	0.986	20	30		CCEDRM
CCO[C@@H]1C[C@H]1C(=O)N1CCN(C(=O)[O-])C[C@@H]1C#N	ZINC000827389583	615449701	/nfs/dbraw/zinc/44/97/01/615449701.db2.gz	URBAIRTXSIDJPA-IVZWLZJFSA-N	-1	0	267.285	0.126	20	30		CCEDRM
CC[C@@H](C)NC(=O)CCNC(=O)[C@@](C)(C#N)CC(=O)[O-]	ZINC000820266767	615458456	/nfs/dbraw/zinc/45/84/56/615458456.db2.gz	QQCMWYHKZPRAGG-NOZJJQNGSA-N	-1	0	283.328	0.412	20	30		CCEDRM
CC[C@H](CCO)CNC(=O)[C@@](C)(C#N)CC(=O)[O-]	ZINC000820278300	615706708	/nfs/dbraw/zinc/70/67/08/615706708.db2.gz	MBDVXYIKISIVGU-BXKDBHETSA-N	-1	0	256.302	0.516	20	30		CCEDRM
CCn1ncn(N=Cc2ccc(C(=O)[O-])cc2)c1=O	ZINC000814234664	615729181	/nfs/dbraw/zinc/72/91/81/615729181.db2.gz	HDZDEKXAQDKVIR-UHFFFAOYSA-N	-1	0	260.253	0.645	20	30		CCEDRM
CCc1ncc(CN[C@@H]2CCCN(O)C2=O)cn1	ZINC000895159600	615774983	/nfs/dbraw/zinc/77/49/83/615774983.db2.gz	WFBSAXCRKGKGOE-SNVBAGLBSA-N	-1	0	250.302	0.509	20	30		CCEDRM
CCc1nn(C)c(CC)c1C=NNCCC(=O)[O-]	ZINC000820498458	615791868	/nfs/dbraw/zinc/79/18/68/615791868.db2.gz	FUWALEOEWYDUTF-UHFFFAOYSA-N	-1	0	252.318	0.943	20	30		CCEDRM
CCc1nn(C)c(Cl)c1C(=O)N[C@H]1CCN(O)C1=O	ZINC000816691624	615793496	/nfs/dbraw/zinc/79/34/96/615793496.db2.gz	VRPPYSLYLHTMLW-ZETCQYMHSA-N	-1	0	286.719	0.356	20	30		CCEDRM
CN(C(=O)COC(=O)[C@](C)(C#N)CC(=O)[O-])C(C)(C)C#N	ZINC000820517356	615817973	/nfs/dbraw/zinc/81/79/73/615817973.db2.gz	GELGRMXUKGQXLN-ZDUSSCGKSA-N	-1	0	295.295	0.295	20	30		CCEDRM
CCn1[n-]nnc1=NC(=O)N(C)CC(C)(C)C#N	ZINC000888325141	615910057	/nfs/dbraw/zinc/91/00/57/615910057.db2.gz	AZXNSPDUVAINRO-UHFFFAOYSA-N	-1	0	251.294	0.128	20	30		CCEDRM
CCn1[n-]nnc1=NC(=O)N1CCC(CC#N)CC1	ZINC000888331438	615911163	/nfs/dbraw/zinc/91/11/63/615911163.db2.gz	NJYMQICXVWPPQQ-UHFFFAOYSA-N	-1	0	263.305	0.272	20	30		CCEDRM
CCn1cc(C([O-])=C(C#N)C(=O)NC)c(C2CC2)n1	ZINC000870153466	615962305	/nfs/dbraw/zinc/96/23/05/615962305.db2.gz	QEFDMEAGAPQJMR-VIFPVBQESA-N	-1	0	260.297	0.849	20	30		CCEDRM
CN(C)c1cc(C(=O)[N-]S(=O)(=O)CCC#N)ccn1	ZINC000821582118	616004719	/nfs/dbraw/zinc/00/47/19/616004719.db2.gz	DEOBPDSQZNIIFN-UHFFFAOYSA-N	-1	0	282.325	0.121	20	30		CCEDRM
CCn1ccc(C([O-])=C(C#N)C(=O)NCCOC)c1C	ZINC000873497992	616025094	/nfs/dbraw/zinc/02/50/94/616025094.db2.gz	QUGRTFXMACJPNN-GFCCVEGCSA-N	-1	0	277.324	0.902	20	30		CCEDRM
CN1C(=O)CCc2cc(C=Nn3c(=O)[n-][nH]c3=O)ccc21	ZINC000814233474	616133782	/nfs/dbraw/zinc/13/37/82/616133782.db2.gz	RLEIGWBXIDTGKP-UHFFFAOYSA-N	-1	0	287.279	0.481	20	30		CCEDRM
CN1C[C@@H](C(=O)[N-]Oc2cccc(C#N)c2)CC1=O	ZINC000870693356	616276685	/nfs/dbraw/zinc/27/66/85/616276685.db2.gz	DQUWRUMCOSDQQY-JTQLQIEISA-N	-1	0	259.265	0.447	20	30		CCEDRM
COC(=O)C(C)(C)CNC(=O)[C@](C)(C#N)CC(=O)[O-]	ZINC000820645552	616337720	/nfs/dbraw/zinc/33/77/20/616337720.db2.gz	LQFLTGFTSITHQL-LBPRGKRZSA-N	-1	0	270.285	0.306	20	30		CCEDRM
COC(=O)CN(CC#N)C(=O)C[C@H]1CCCN1C(=O)[O-]	ZINC000828684344	616587200	/nfs/dbraw/zinc/58/72/00/616587200.db2.gz	TUIUWSVHPIPYSH-SECBINFHSA-N	-1	0	283.284	0.044	20	30		CCEDRM
COC(=O)CN(CC(=O)[O-])C[C@@H](O)c1ccc(C#N)cc1	ZINC000831169871	616588880	/nfs/dbraw/zinc/58/88/80/616588880.db2.gz	ATSIDXOHZGHIJO-GFCCVEGCSA-N	-1	0	292.291	0.151	20	30		CCEDRM
COC[C@H](C)Oc1ccc(C=Nn2c(=O)[n-][nH]c2=O)cc1	ZINC000853349466	616627186	/nfs/dbraw/zinc/62/71/86/616627186.db2.gz	ZAJZRXVXPZBBOC-VIFPVBQESA-N	-1	0	292.295	0.985	20	30		CCEDRM
CO[C@@H]1CCC[C@H]1CNC(=O)[C@](C)(C#N)CC(=O)[O-]	ZINC000820702801	616637954	/nfs/dbraw/zinc/63/79/54/616637954.db2.gz	GFSMJCOSSCXRNX-CWSCBRNRSA-N	-1	0	268.313	0.922	20	30		CCEDRM
COC(=O)C[C@@H](NC(=O)Cc1cccc(C#N)c1)C(=O)[O-]	ZINC000831129220	616643376	/nfs/dbraw/zinc/64/33/76/616643376.db2.gz	UJSBXBUXKNTNRX-LLVKDONJSA-N	-1	0	290.275	0.233	20	30		CCEDRM
CO[C@@H]1CC[C@H](C(=O)[N-]S(=O)(=O)CC2(C#N)CC2)C1	ZINC000850940310	616698983	/nfs/dbraw/zinc/69/89/83/616698983.db2.gz	LFACZHWEMWYAAQ-VHSXEESVSA-N	-1	0	286.353	0.551	20	30		CCEDRM
COCC(COC)NN=Cc1c(CO)cnc(C)c1O	ZINC000863197827	616735662	/nfs/dbraw/zinc/73/56/62/616735662.db2.gz	XLUSFATYQNGTIF-UHFFFAOYSA-N	-1	0	283.328	0.173	20	30		CCEDRM
CNC(=O)C(C#N)=C([O-])c1cc(C)cc(C(=O)OC)c1	ZINC000838785655	616777176	/nfs/dbraw/zinc/77/71/76/616777176.db2.gz	BWZBNIHFOSVMHV-NSHDSACASA-N	-1	0	274.276	0.850	20	30		CCEDRM
COC[C@H]1CCN(C(=O)[C@@](C)(C#N)CC(=O)[O-])C1	ZINC000820714894	616779664	/nfs/dbraw/zinc/77/96/64/616779664.db2.gz	GERHQVYMEFXXPS-JOYOIKCWSA-N	-1	0	254.286	0.486	20	30		CCEDRM
COC[C@H]1CCN(C(=O)[C@](C)(C#N)CC(=O)[O-])C1	ZINC000820714893	616780020	/nfs/dbraw/zinc/78/00/20/616780020.db2.gz	GERHQVYMEFXXPS-CABZTGNLSA-N	-1	0	254.286	0.486	20	30		CCEDRM
COC[C@](C)(C#N)NC(=O)C1CCC(NC(=O)[O-])CC1	ZINC000828886786	616816292	/nfs/dbraw/zinc/81/62/92/616816292.db2.gz	XBCCJGXZRKPQLA-ZPPKWKGLSA-N	-1	0	283.328	0.858	20	30		CCEDRM
COC[C@](C)(C#N)NC(=O)[C@]1(F)CCN(C(=O)[O-])C1	ZINC000828886843	616817599	/nfs/dbraw/zinc/81/75/99/616817599.db2.gz	XOXHWDWDADOBCR-QWRGUYRKSA-N	-1	0	273.264	0.123	20	30		CCEDRM
COC[C@](C)(CC(=O)[O-])NC(=O)c1cc(C#N)cn1C	ZINC000831563487	616819161	/nfs/dbraw/zinc/81/91/61/616819161.db2.gz	KWLOCUBTSSQFHI-ZDUSSCGKSA-N	-1	0	279.296	0.506	20	30		CCEDRM
COC(=O)N1CCC[C@H](NC(=O)[C@](C)(C#N)CC(=O)[O-])C1	ZINC000820672931	616838092	/nfs/dbraw/zinc/83/80/92/616838092.db2.gz	IFTODTMVRGFDKH-ZANVPECISA-N	-1	0	297.311	0.338	20	30		CCEDRM
CNC(=O)C(C#N)=C([O-])c1cc([N+](=O)[O-])ccc1C	ZINC000119654262	616839545	/nfs/dbraw/zinc/83/95/45/616839545.db2.gz	KQKLKNRDDWVPKF-SNVBAGLBSA-N	-1	0	261.237	0.972	20	30		CCEDRM
CNC(=O)C(C#N)=C([O-])c1cnc2n1[C@@H](C)CCC2	ZINC000845444738	616839753	/nfs/dbraw/zinc/83/97/53/616839753.db2.gz	DXQXIGCQPHMMPJ-DTWKUNHWSA-N	-1	0	260.297	0.849	20	30		CCEDRM
CNC(=O)C(C#N)=C([O-])c1ccc(NC(C)=O)cc1	ZINC000917001739	616839778	/nfs/dbraw/zinc/83/97/78/616839778.db2.gz	CFLBHSRCVQZNGB-LLVKDONJSA-N	-1	0	259.265	0.713	20	30		CCEDRM
COC(=O)c1cc(NC(=O)[C@@](C)(C#N)CC(=O)[O-])cn1C	ZINC000820680134	616867178	/nfs/dbraw/zinc/86/71/78/616867178.db2.gz	MSJGCPGYCQNVDE-CYBMUJFWSA-N	-1	0	293.279	0.755	20	30		CCEDRM
COC(=O)c1cc(NCC(=O)NCC#N)cc(C(=O)[O-])c1	ZINC000831322271	616868420	/nfs/dbraw/zinc/86/84/20/616868420.db2.gz	DYEUACRVAPWFHB-UHFFFAOYSA-N	-1	0	291.263	0.223	20	30		CCEDRM
COCCCNC(=O)C(C#N)=C([O-])c1cc(C)n(C)n1	ZINC000917520424	616898453	/nfs/dbraw/zinc/89/84/53/616898453.db2.gz	NYYTXJUPUNLCAP-JTQLQIEISA-N	-1	0	278.312	0.204	20	30		CCEDRM
COCCCO[N-]C(=O)C(=O)Nc1cccc(C#N)c1C	ZINC000807435418	616921906	/nfs/dbraw/zinc/92/19/06/616921906.db2.gz	LGWSCXLVKFYKNT-UHFFFAOYSA-N	-1	0	291.307	0.890	20	30		CCEDRM
COCCCO[N-]C(=O)[C@@H](O)c1ccc(C#N)cc1	ZINC000805039121	616923457	/nfs/dbraw/zinc/92/34/57/616923457.db2.gz	SWZYPDICPHODFV-LBPRGKRZSA-N	-1	0	264.281	0.676	20	30		CCEDRM
COCCN(CCC(=O)[O-])c1cc(C#N)cnn1	ZINC000900979018	616997318	/nfs/dbraw/zinc/99/73/18/616997318.db2.gz	XRWPATJRGWWXRJ-UHFFFAOYSA-N	-1	0	250.258	0.276	20	30		CCEDRM
CO[C@H](CC(C)C)C(=O)N[C@@H]1CCCN(O)C1=O	ZINC000848132363	617081779	/nfs/dbraw/zinc/08/17/79/617081779.db2.gz	QGYMHHFVHKEVDQ-NXEZZACHSA-N	-1	0	258.318	0.544	20	30		CCEDRM
CO[C@H](CC(C)C)C(=O)[N-]S(=O)(=O)CC1(C#N)CC1	ZINC000842334315	617081833	/nfs/dbraw/zinc/08/18/33/617081833.db2.gz	UVGGBZKTJVSXKL-SNVBAGLBSA-N	-1	0	288.369	0.797	20	30		CCEDRM
CO[N-]C(=O)CNC(=O)C1(c2ccc(C#N)cc2)CC1	ZINC000832757637	617110001	/nfs/dbraw/zinc/11/00/01/617110001.db2.gz	JGLYFAKWAVLUHZ-UHFFFAOYSA-N	-1	0	273.292	0.384	20	30		CCEDRM
CO[C@@H](C(=O)[O-])C(=O)NCc1ccc(SC)c(C#N)c1	ZINC000902731772	617128711	/nfs/dbraw/zinc/12/87/11/617128711.db2.gz	PTDYUVOLMBEICN-LLVKDONJSA-N	-1	0	294.332	0.996	20	30		CCEDRM
COc1c(O)c(C=Nn2c(=O)[n-][nH]c2=O)ccc1[N+](=O)[O-]	ZINC000814231184	617148996	/nfs/dbraw/zinc/14/89/96/617148996.db2.gz	PEVCFGOVVHIUND-UHFFFAOYSA-N	-1	0	295.211	0.194	20	30		CCEDRM
CO[C@@H](C)CS(=O)(=O)[N-]c1cccc(CC#N)n1	ZINC000886435979	617159939	/nfs/dbraw/zinc/15/99/39/617159939.db2.gz	NTNURQIGEFNOKN-VIFPVBQESA-N	-1	0	269.326	0.924	20	30		CCEDRM
CCCc1cc(C(=O)[N-]S(=O)(=O)CCCC#N)[nH]n1	ZINC000181276637	625370421	/nfs/dbraw/zinc/37/04/21/625370421.db2.gz	PVTCBEQGHDSERG-UHFFFAOYSA-N	-1	0	284.341	0.726	20	30		CCEDRM
CNC(=O)C(C#N)=C([O-])c1cn(CCC(C)C)nn1	ZINC000158768467	622856819	/nfs/dbraw/zinc/85/68/19/622856819.db2.gz	RUTCVQLWNDNSEE-SECBINFHSA-N	-1	0	263.301	0.393	20	30		CCEDRM
CO[N-]C(=O)C(=O)Nc1ccc(C#N)c(Cl)c1	ZINC000049422317	624460893	/nfs/dbraw/zinc/46/08/93/624460893.db2.gz	ZXBNPEZXQKBBJG-UHFFFAOYSA-N	-1	0	253.645	0.828	20	30		CCEDRM
Cn1cc(C#N)cc1C(=O)[N-]S(=O)(=O)N1CCCC1	ZINC000083765606	624806926	/nfs/dbraw/zinc/80/69/26/624806926.db2.gz	ULBVPSQDLKSLBL-UHFFFAOYSA-N	-1	0	282.325	0.542	20	30		CCEDRM
CCc1nc(C#N)cc(N2CCO[C@@H](C(=O)[O-])C2)n1	ZINC000308408015	624870479	/nfs/dbraw/zinc/87/04/79/624870479.db2.gz	KMULQZWBODYPTP-SECBINFHSA-N	-1	0	262.269	0.200	20	30		CCEDRM
CCC[C@@H](C#N)[N-]S(=O)(=O)N=S(C)(C)=O	ZINC000903095184	634535125	/nfs/dbraw/zinc/53/51/25/634535125.db2.gz	LRMKJGWVZHRKHP-ZETCQYMHSA-N	-1	0	253.349	0.241	20	30		CCEDRM
C=C(Br)CNC(=O)N1CCOC[C@H]1C(=O)[O-]	ZINC000163554534	634657285	/nfs/dbraw/zinc/65/72/85/634657285.db2.gz	VYIJLTWNRSMXHK-ZETCQYMHSA-N	-1	0	293.117	0.390	20	30		CCEDRM
Cc1nnc(NN=Cc2ccc(O)cc2O)[n-]c1=O	ZINC000254632119	631566649	/nfs/dbraw/zinc/56/66/49/631566649.db2.gz	QCXHVVQPZFXOME-UHFFFAOYSA-N	-1	0	261.241	0.743	20	30		CCEDRM
CS(=O)(=O)[N-]C(=O)[C@@H]1CC(=O)N(c2ccccc2)C1	ZINC000048480869	631723866	/nfs/dbraw/zinc/72/38/66/631723866.db2.gz	PCYQBZREMRBWIL-SECBINFHSA-N	-1	0	282.321	0.956	20	30		CCEDRM
CC(C)C(=O)[N-]S(=O)(=O)c1cc(C(N)=O)n(C)c1	ZINC000048518735	631727846	/nfs/dbraw/zinc/72/78/46/631727846.db2.gz	KTZWFEPHQCXBGY-UHFFFAOYSA-N	-1	0	273.314	0.425	20	30		CCEDRM
Cn1cc(S(=O)(=O)[N-]C(=O)c2ccc(C#N)cc2)cn1	ZINC000048519922	631728983	/nfs/dbraw/zinc/72/89/83/631728983.db2.gz	MYONAWCXBMHDKJ-UHFFFAOYSA-N	-1	0	290.304	0.985	20	30		CCEDRM
CCCCS(=O)(=O)[N-]C(=O)[C@@H]1CCN(C)C(=O)C1	ZINC000048518687	631729453	/nfs/dbraw/zinc/72/94/53/631729453.db2.gz	UILYFKJPRKJFPL-SECBINFHSA-N	-1	0	276.358	0.941	20	30		CCEDRM
C=CCCO[C@H](C)C(=O)N[C@@](C)(COC)CC(=O)[O-]	ZINC000262058799	631834691	/nfs/dbraw/zinc/83/46/91/631834691.db2.gz	GTAPADIYAORASX-ZWNOBZJWSA-N	-1	0	273.329	0.964	20	30		CCEDRM
O=C([O-])c1coc(C=NNC(=S)NC[C@@H]2CCCO2)c1	ZINC000901134491	634196959	/nfs/dbraw/zinc/19/69/59/634196959.db2.gz	XJKCVMJBYOWNQB-VIFPVBQESA-N	-1	0	297.336	0.955	20	30		CCEDRM
Cn1nc(C(=O)[O-])cc1C=NOC[C@H]1CCOC1	ZINC000901228275	634217173	/nfs/dbraw/zinc/21/71/73/634217173.db2.gz	VBDOYJHGHNZCBP-QMMMGPOBSA-N	-1	0	253.258	0.505	20	30		CCEDRM
N#CCc1cccc2c1CCN(C(=O)COCC(=O)[O-])C2	ZINC000902245177	634348459	/nfs/dbraw/zinc/34/84/59/634348459.db2.gz	IDTYZLQHUVIOSE-UHFFFAOYSA-N	-1	0	288.303	0.739	20	30		CCEDRM
C[C@H]1CC[C@@H](C(=O)[O-])N1S(=O)(=O)CC(C)(C)C#N	ZINC000905995148	634945268	/nfs/dbraw/zinc/94/52/68/634945268.db2.gz	QMNJXORWXXEVNR-IUCAKERBSA-N	-1	0	274.342	0.803	20	30		CCEDRM
C[C@@H]1CN(S(=O)(=O)CC(C)(C)C#N)C[C@H]1CC(=O)[O-]	ZINC000906012557	634951440	/nfs/dbraw/zinc/95/14/40/634951440.db2.gz	VCEILKSEJCLACR-NXEZZACHSA-N	-1	0	288.369	0.909	20	30		CCEDRM
CCC[C@@H](C#N)[N-]S(=O)(=O)N=S1(=O)CCCC1	ZINC000906062287	634955327	/nfs/dbraw/zinc/95/53/27/634955327.db2.gz	XWCUMZLXWYVXSS-VIFPVBQESA-N	-1	0	279.387	0.775	20	30		CCEDRM
C#Cc1cncc(C(=O)N2CC[C@H](OC)C[C@H]2C(=O)[O-])c1	ZINC000909982950	635657590	/nfs/dbraw/zinc/65/75/90/635657590.db2.gz	OFLTYQANMOUGBC-STQMWFEESA-N	-1	0	288.303	0.767	20	30		CCEDRM
C#CCCCCC(=O)N1CCC[C@@H]1C(=O)NCC(=O)[O-]	ZINC000910756780	635832571	/nfs/dbraw/zinc/83/25/71/635832571.db2.gz	HMHRLEZKUYVCKR-LLVKDONJSA-N	-1	0	280.324	0.372	20	30		CCEDRM
C[C@H](Sc1ccccc1C(=O)NCC#CCO)C(=O)[O-]	ZINC000911402328	636255771	/nfs/dbraw/zinc/25/57/71/636255771.db2.gz	YFZBDSPUFJCHCW-JTQLQIEISA-N	-1	0	293.344	0.977	20	30		CCEDRM
CCC[C@@H](NS(=O)(=O)c1cccnc1C#N)C(=O)[O-]	ZINC000232008557	637239635	/nfs/dbraw/zinc/23/96/35/637239635.db2.gz	OKWIIVRKTYTUBE-MRVPVSSYSA-N	-1	0	283.309	0.485	20	30		CCEDRM
Cc1nnc(NN=C2CCCc3c2cnn3C)[n-]c1=O	ZINC000915944942	637880065	/nfs/dbraw/zinc/88/00/65/637880065.db2.gz	NERYNKMWYLHPMO-UHFFFAOYSA-N	-1	0	273.300	0.772	20	30		CCEDRM
Cn1c(C([O-])=C(C#N)C(=O)NC2CC2)ccc1[N+](=O)[O-]	ZINC000916930314	637932793	/nfs/dbraw/zinc/93/27/93/637932793.db2.gz	COUZRJWEPGCPRT-MRVPVSSYSA-N	-1	0	276.252	0.534	20	30		CCEDRM
N#Cc1nc(NC(=O)c2cc3c([nH]c2=O)CCC3)[n-]c1C#N	ZINC000917098278	637949375	/nfs/dbraw/zinc/94/93/75/637949375.db2.gz	DPWOATLLISIBOJ-UHFFFAOYSA-N	-1	0	294.274	0.995	20	30		CCEDRM
CC(=O)N[C@H](C)C(=O)[N-]S(=O)(=O)c1cccs1	ZINC000069524586	638367304	/nfs/dbraw/zinc/36/73/04/638367304.db2.gz	MZCGGUCVXYRFOH-ZCFIWIBFSA-N	-1	0	276.339	0.918	20	30		CCEDRM
Cc1n[nH]c(C(=O)N[C@H]2CCN(CC#N)CC2(C)C)c1[O-]	ZINC000940680742	638486537	/nfs/dbraw/zinc/48/65/37/638486537.db2.gz	LMHVTGKLHAHFPD-JTQLQIEISA-N	-1	0	291.355	0.778	20	30		CCEDRM
Cc1n[nH]c(C(=O)N[C@H](C)C2CCN(CC#N)CC2)c1[O-]	ZINC000997021899	638849446	/nfs/dbraw/zinc/84/94/46/638849446.db2.gz	GFJLAAFCWXPGQU-SECBINFHSA-N	-1	0	291.355	0.778	20	30		CCEDRM
N#C[C@@]1(C(=O)N[C@@H](CC(F)F)C(=O)[O-])CCCOC1	ZINC000923080327	640016969	/nfs/dbraw/zinc/01/69/69/640016969.db2.gz	YOKFAOPFJCNAEG-CPCISQLKSA-N	-1	0	276.239	0.531	20	30		CCEDRM
N#C[C@@]1(C(=O)N2C[C@H]3[C@H](C(=O)[O-])[C@H]3C2)CCCOC1	ZINC000923107724	640025208	/nfs/dbraw/zinc/02/52/08/640025208.db2.gz	XUTPMFATGJURLK-WTBMIXGQSA-N	-1	0	264.281	0.096	20	30		CCEDRM
C[C@@]1(C(=O)[N-]S(=O)(=O)CC2(C#N)CC2)CCCCO1	ZINC000838856658	640275910	/nfs/dbraw/zinc/27/59/10/640275910.db2.gz	RDFJCNAKPYLKHY-NSHDSACASA-N	-1	0	286.353	0.695	20	30		CCEDRM
C[C@H](C(=O)[N-]OCCC(F)(F)F)n1cnc(C#N)n1	ZINC000798996044	640538152	/nfs/dbraw/zinc/53/81/52/640538152.db2.gz	IHMRYCPTUONGFO-ZCFIWIBFSA-N	-1	0	277.206	0.711	20	30		CCEDRM
N#Cc1ccc(NC2CC2)c(NC(=O)c2cc(=O)[nH][n-]2)c1	ZINC000803318826	640726839	/nfs/dbraw/zinc/72/68/39/640726839.db2.gz	CPAIXBOYJZNUAD-UHFFFAOYSA-N	-1	0	283.291	0.947	20	30		CCEDRM
Cn1cnc(C([O-])=C(C#N)C(=O)NCc2ccccc2)n1	ZINC000810529765	640936743	/nfs/dbraw/zinc/93/67/43/640936743.db2.gz	NODQGRWBOHTFPX-LLVKDONJSA-N	-1	0	283.291	0.454	20	30		CCEDRM
N#Cc1cccc(C(=O)[N-]S(=O)(=O)CC2CC2)n1	ZINC000810582286	640940082	/nfs/dbraw/zinc/94/00/82/640940082.db2.gz	MXKPCLFJEORMEI-UHFFFAOYSA-N	-1	0	265.294	0.423	20	30		CCEDRM
N#CCCCC(=O)[N-]S(=O)(=O)c1ccccn1	ZINC000813069715	641020548	/nfs/dbraw/zinc/02/05/48/641020548.db2.gz	KSGQVQHLFFRWQF-UHFFFAOYSA-N	-1	0	253.283	0.580	20	30		CCEDRM
O=C1[N-]C(=O)C(=NNc2cccc3cnccc32)C(=O)N1	ZINC000814221511	641059720	/nfs/dbraw/zinc/05/97/20/641059720.db2.gz	ZAYPMJJWFNKWRV-UHFFFAOYSA-N	-1	0	283.247	0.369	20	30		CCEDRM
O=C([O-])CNN=Cc1ccc(N2CCOCC2)s1	ZINC000814958931	641084507	/nfs/dbraw/zinc/08/45/07/641084507.db2.gz	ASNGTIKCEBLMNB-UHFFFAOYSA-N	-1	0	269.326	0.593	20	30		CCEDRM
O=C([O-])CNN=C1CCN(Cc2ccccc2)C1=O	ZINC000814958208	641085051	/nfs/dbraw/zinc/08/50/51/641085051.db2.gz	FDAPBDWCONCZAD-UHFFFAOYSA-N	-1	0	261.281	0.449	20	30		CCEDRM
Cc1c(S(=O)(=O)[N-]C(=O)CC2(C#N)CC2)cnn1C	ZINC000816094090	641140864	/nfs/dbraw/zinc/14/08/64/641140864.db2.gz	JWBGLUJDAHFSGM-UHFFFAOYSA-N	-1	0	282.325	0.227	20	30		CCEDRM
C[C@@H]1CN(C(=O)Cn2cc(C#N)c(=O)[n-]c2=O)C(C)(C)C1	ZINC000820527476	641513933	/nfs/dbraw/zinc/51/39/33/641513933.db2.gz	PFRZCTGONGUSFL-VIFPVBQESA-N	-1	0	290.323	0.468	20	30		CCEDRM
N#CCCS(=O)(=O)[N-]C(=O)c1cc[nH]c1C1CC1	ZINC000821582089	641610018	/nfs/dbraw/zinc/61/00/18/641610018.db2.gz	CMVHLIVSPAMMHP-UHFFFAOYSA-N	-1	0	267.310	0.865	20	30		CCEDRM
CC(C)(CCC(=O)N1CCN(CC#N)CC1)NC(=O)[O-]	ZINC000823886322	641793665	/nfs/dbraw/zinc/79/36/65/641793665.db2.gz	PERXKMRTFPVCDE-UHFFFAOYSA-N	-1	0	282.344	0.481	20	30		CCEDRM
C#CCOCCNS(=O)(=O)c1cccc(C(=O)[O-])c1C	ZINC000833366108	642536610	/nfs/dbraw/zinc/53/66/10/642536610.db2.gz	GQCDLALDJRQXQV-UHFFFAOYSA-N	-1	0	297.332	0.621	20	30		CCEDRM
Cc1cccc2c1O[C@H](C(=O)[N-]S(=O)(=O)CCC#N)C2	ZINC000835409141	642660788	/nfs/dbraw/zinc/66/07/88/642660788.db2.gz	CXKLXPWLIFARNG-NSHDSACASA-N	-1	0	294.332	0.658	20	30		CCEDRM
Cc1cc([N+](=O)[O-])ccc1C(=O)[N-]S(=O)(=O)CCC#N	ZINC000835410104	642661042	/nfs/dbraw/zinc/66/10/42/642661042.db2.gz	DBMZMDRIEMSTLE-UHFFFAOYSA-N	-1	0	297.292	0.877	20	30		CCEDRM
N#Cc1c(=O)[nH]cc2c1CCCC2=NNCC(=O)[O-]	ZINC000844600461	643228307	/nfs/dbraw/zinc/22/83/07/643228307.db2.gz	VFEKEZCQHDGMFC-UHFFFAOYSA-N	-1	0	260.253	0.373	20	30		CCEDRM
Cc1nnc(NN=Cc2ccnn2CC2CC2)[n-]c1=O	ZINC000853269924	644096229	/nfs/dbraw/zinc/09/62/29/644096229.db2.gz	BVPPOFSFYGIROV-UHFFFAOYSA-N	-1	0	273.300	0.938	20	30		CCEDRM
C#C[C@](C)(CC)NC(=O)c1c[nH]c2nc(=O)[n-]c(=O)c-2c1	ZINC000854701166	644252522	/nfs/dbraw/zinc/25/25/22/644252522.db2.gz	NFSHXDMYISWPSG-CQSZACIVSA-N	-1	0	286.291	0.968	20	30		CCEDRM
C[C@]1(Br)C[C@H]1C(=O)[N-]S(=O)(=O)CCC#N	ZINC000860751336	644823624	/nfs/dbraw/zinc/82/36/24/644823624.db2.gz	BVAHKZWMDQSFLZ-XPUUQOCRSA-N	-1	0	295.158	0.520	20	30		CCEDRM
C[C@H](CC(=O)[N-]S(=O)(=O)CCC#N)c1ccncc1	ZINC000860751259	644826571	/nfs/dbraw/zinc/82/65/71/644826571.db2.gz	AGVIYWMGESHBED-SNVBAGLBSA-N	-1	0	281.337	0.935	20	30		CCEDRM
O=C([O-])C1CCC(=Nn2ccc(=O)[nH]c2=O)CC1	ZINC000863182427	645067878	/nfs/dbraw/zinc/06/78/78/645067878.db2.gz	LCZFVWWDDRAEOC-UHFFFAOYSA-N	-1	0	251.242	0.428	20	30		CCEDRM
O=C([N-]Cc1ccc(C(=O)NO)o1)C(F)(F)F	ZINC000863856796	645138114	/nfs/dbraw/zinc/13/81/14/645138114.db2.gz	OGSBQYLKZXLWQM-UHFFFAOYSA-N	-1	0	252.148	0.577	20	30		CCEDRM
C[C@]1([N-]C(=O)C(F)(F)F)CCN(c2nccnc2C#N)C1	ZINC000866284756	645514227	/nfs/dbraw/zinc/51/42/27/645514227.db2.gz	SIJWDMPCPYXUFX-NSHDSACASA-N	-1	0	299.256	0.996	20	30		CCEDRM
N#Cc1cc(F)cc(S(=O)(=O)[N-]N2CCCC2=O)c1	ZINC000867592745	645635102	/nfs/dbraw/zinc/63/51/02/645635102.db2.gz	JZMLEZWRTGGTFE-UHFFFAOYSA-N	-1	0	283.284	0.513	20	30		CCEDRM
O=C(C[C@@H]1Cc2ccccc2O1)N[C@@H]1CCCN(O)C1=O	ZINC000868562512	645786904	/nfs/dbraw/zinc/78/69/04/645786904.db2.gz	GLRHVQUEQPHOKZ-NWDGAFQWSA-N	-1	0	290.319	0.877	20	30		CCEDRM
CC#CCS(=O)(=O)[N-]C(=O)c1cn(CC)nc1C1CC1	ZINC000870330693	645983578	/nfs/dbraw/zinc/98/35/78/645983578.db2.gz	VRGSRCSYURDCFM-UHFFFAOYSA-N	-1	0	295.364	0.863	20	30		CCEDRM
Cc1cc(S(=O)(=O)N2CC(C#N)C2)cc(C(=O)[O-])c1F	ZINC000871967533	646200404	/nfs/dbraw/zinc/20/04/04/646200404.db2.gz	VMHOUMZWGHKPHQ-UHFFFAOYSA-N	-1	0	298.295	0.976	20	30		CCEDRM
Cn1nnc([N-]S(=O)(=O)c2ccc(F)c(C#N)c2)n1	ZINC000127347708	646982301	/nfs/dbraw/zinc/98/23/01/646982301.db2.gz	WJBVVQBEMLLAKA-UHFFFAOYSA-N	-1	0	282.260	0.022	20	30		CCEDRM
C[C@H](CCNS(=O)(=O)c1ccccc1C#N)C(=O)[O-]	ZINC000129227683	647337704	/nfs/dbraw/zinc/33/77/04/647337704.db2.gz	RCUCVHIPJKYSEO-SECBINFHSA-N	-1	0	282.321	0.947	20	30		CCEDRM
Cc1c(C#N)c([N-]S(=O)(=O)CCOCC2CC2)nn1C	ZINC000886412906	647973419	/nfs/dbraw/zinc/97/34/19/647973419.db2.gz	WOZIVPWYVALDOT-UHFFFAOYSA-N	-1	0	298.368	0.769	20	30		CCEDRM
C#CCC1(NC(=O)c2cnc([O-])n(C)c2=O)CCC1	ZINC000886792943	648015460	/nfs/dbraw/zinc/01/54/60/648015460.db2.gz	TXGCAFHPVDOPFW-UHFFFAOYSA-N	-1	0	261.281	0.162	20	30		CCEDRM
CNC(=O)C(C#N)=C([O-])c1nc(SC)ncc1Cl	ZINC000193637861	649551714	/nfs/dbraw/zinc/55/17/14/649551714.db2.gz	DKYLDZNNSKPFFW-YFKPBYRVSA-N	-1	0	284.728	0.920	20	30		CCEDRM
C#CCN(CC(=O)[O-])S(=O)(=O)c1cccc(C)c1	ZINC000092479758	649724342	/nfs/dbraw/zinc/72/43/42/649724342.db2.gz	CVNCNDRBJDJMPN-UHFFFAOYSA-N	-1	0	267.306	0.704	20	30		CCEDRM
N#Cc1ccc(CN2CCn3nncc3C2)c(O)c1	ZINC001233386802	806054062	/nfs/dbraw/zinc/05/40/62/806054062.db2.gz	JGJBVYVBVGNXTC-UHFFFAOYSA-N	-1	0	255.281	0.871	20	30		CCEDRM
CN1[C@@H]2C[C@@H](Oc3n[n-]c(=O)cc3Cl)C[C@H]1[C@@H]1O[C@@H]12	ZINC001233587735	806086895	/nfs/dbraw/zinc/08/68/95/806086895.db2.gz	YQILKZSMAXXSPW-GNARGMICSA-N	-1	0	283.715	0.827	20	30		CCEDRM
CN1CCO[C@H](COc2ccccc2C=N[O-])C1=O	ZINC001234820233	806306352	/nfs/dbraw/zinc/30/63/52/806306352.db2.gz	SMJQYNJWPAFPEQ-GFCCVEGCSA-N	-1	0	264.281	0.731	20	30		CCEDRM
C=CCCC(=O)NCCCN(C)Cc1n[nH]c(=O)[n-]1	ZINC001235451799	806423900	/nfs/dbraw/zinc/42/39/00/806423900.db2.gz	PPGBSQZJAFHIKK-UHFFFAOYSA-N	-1	0	267.333	0.415	20	30		CCEDRM
C=C[C@H](C)O[N-]C(=O)C(=O)Nc1ccnn1C1CC1	ZINC001120994473	798979566	/nfs/dbraw/zinc/97/95/66/798979566.db2.gz	HKRVTIABSJWFIU-QMMMGPOBSA-N	-1	0	264.285	0.779	20	30		CCEDRM
C=C(C)C[C@@H](CO)NC(=O)NC[C@H](C(=O)[O-])C(C)C	ZINC001121918304	799093447	/nfs/dbraw/zinc/09/34/47/799093447.db2.gz	FNIZIHMHEPAFIY-QWRGUYRKSA-N	-1	0	272.345	0.970	20	30		CCEDRM
COCCCNC(=O)C(C#N)=C([O-])c1ocnc1C	ZINC001122415132	799227875	/nfs/dbraw/zinc/22/78/75/799227875.db2.gz	OUHBRSSLGVBDNG-SECBINFHSA-N	-1	0	265.269	0.458	20	30		CCEDRM
C=CCNC(=O)C(C#N)=C([O-])c1cn(CCOC)nc1C	ZINC001122502988	799251427	/nfs/dbraw/zinc/25/14/27/799251427.db2.gz	YXSUHPNNEMDQFA-LLVKDONJSA-N	-1	0	290.323	0.463	20	30		CCEDRM
Cc1nc2ccnn2cc1C([O-])=C(C#N)C(=O)N1CCCC1	ZINC001122533425	799258095	/nfs/dbraw/zinc/25/80/95/799258095.db2.gz	LTQDCGMJTFVSTL-LLVKDONJSA-N	-1	0	297.318	0.983	20	30		CCEDRM
COc1c(C([O-])=C(C#N)c2nccn2C)cnn1C	ZINC001122609510	799273912	/nfs/dbraw/zinc/27/39/12/799273912.db2.gz	KWSKMWHTPWEZEY-MRVPVSSYSA-N	-1	0	259.269	0.652	20	30		CCEDRM
Cn1ccnc1C(=O)C(C#N)=C([O-])c1ccc2nncn2c1	ZINC001122715050	799288834	/nfs/dbraw/zinc/28/88/34/799288834.db2.gz	VICKPWCVHJQUJD-JTQLQIEISA-N	-1	0	294.274	0.668	20	30		CCEDRM
C=C(C)CCC(=O)NCCn1cc(C(=O)[O-])nn1	ZINC001123279439	799382631	/nfs/dbraw/zinc/38/26/31/799382631.db2.gz	HYCJQWHDXIKTSO-UHFFFAOYSA-N	-1	0	252.274	0.449	20	30		CCEDRM
C#CCN(CC1CC1)C(=O)CSc1n[nH]c(=O)[n-]1	ZINC001137599687	799675414	/nfs/dbraw/zinc/67/54/14/799675414.db2.gz	FBRHZIKINIASMS-UHFFFAOYSA-N	-1	0	266.326	0.474	20	30		CCEDRM
O=C(N[C@H]1CCN(O)C1=O)[C@@H]1C[C@H]1C(F)(F)F	ZINC001141380172	800003940	/nfs/dbraw/zinc/00/39/40/800003940.db2.gz	IGMQMHYJQBSJHK-PBXRRBTRSA-N	-1	0	252.192	0.291	20	30		CCEDRM
Cc1cc(C#N)c(=O)[n-]c1C(=O)NCCCOCCO	ZINC001152036848	800485780	/nfs/dbraw/zinc/48/57/80/800485780.db2.gz	VLGOAEVZPVSEAK-UHFFFAOYSA-N	-1	0	279.296	0.096	20	30		CCEDRM
C=CCNC(=O)c1cccnc1N[C@@H]1SC(=O)[N-]C1=O	ZINC001155844454	801064832	/nfs/dbraw/zinc/06/48/32/801064832.db2.gz	MSJTUQPLXSYTDB-LLVKDONJSA-N	-1	0	292.320	0.718	20	30		CCEDRM
N#Cc1cncc(NCC[N-]C(=O)C(F)(F)F)n1	ZINC001156199075	801128262	/nfs/dbraw/zinc/12/82/62/801128262.db2.gz	CLNQQXYWRRFASQ-UHFFFAOYSA-N	-1	0	259.191	0.439	20	30		CCEDRM
N#CN=C(Nc1nccnc1CC(=O)[O-])c1ccncc1	ZINC001156326267	801150787	/nfs/dbraw/zinc/15/07/87/801150787.db2.gz	MIIOCXKKBZXHEQ-UHFFFAOYSA-N	-1	0	282.263	0.838	20	30		CCEDRM
C#CCOCCOCCNc1nccnc1CC(=O)[O-]	ZINC001160671096	801997155	/nfs/dbraw/zinc/99/71/55/801997155.db2.gz	GKFQSACFDKOBGN-UHFFFAOYSA-N	-1	0	279.296	0.182	20	30		CCEDRM
C=CCNC(=O)c1cccnc1NCC(=O)CCC(=O)[O-]	ZINC001160876605	802039996	/nfs/dbraw/zinc/03/99/96/802039996.db2.gz	MCEBGQQWEBBENM-UHFFFAOYSA-N	-1	0	291.307	0.843	20	30		CCEDRM
COc1ncnc([N-]S(=O)(=O)C2CC2)c1C#N	ZINC001259271727	808743539	/nfs/dbraw/zinc/74/35/39/808743539.db2.gz	REVMVTCLLNKBNQ-UHFFFAOYSA-N	-1	0	254.271	0.261	20	30		CCEDRM
C=CCS(=O)(=O)NC1=C(C(=O)OCC)CO[C@H]1C	ZINC001259933486	808809371	/nfs/dbraw/zinc/80/93/71/808809371.db2.gz	GNPPTAFMIJNQCA-QMMMGPOBSA-N	-1	0	275.326	0.328	20	30		CCEDRM
N#Cc1cnc(C[N-]S(=O)(=O)C(F)F)s1	ZINC001259962675	808825565	/nfs/dbraw/zinc/82/55/65/808825565.db2.gz	OYPREKXUOYEVLY-UHFFFAOYSA-N	-1	0	253.255	0.657	20	30		CCEDRM
C=C(C)CO[N-]C(=O)[C@@H]1CN(C(=O)C(C)(C)C)CCO1	ZINC001164456392	802744477	/nfs/dbraw/zinc/74/44/77/802744477.db2.gz	YLQGHQWVNYGRGT-NSHDSACASA-N	-1	0	284.356	0.884	20	30		CCEDRM
N#Cc1c[n-]c(=O)n(Cc2nnc(-c3ccccc3)o2)c1=O	ZINC001166384103	802903509	/nfs/dbraw/zinc/90/35/09/802903509.db2.gz	RAQAWAQCDOKVAW-UHFFFAOYSA-N	-1	0	295.258	0.507	20	30		CCEDRM
C=CCOCCNS(=O)(=O)[C@H]1CCCC[C@H]1C(=O)[O-]	ZINC001465114181	804139389	/nfs/dbraw/zinc/13/93/89/804139389.db2.gz	DIXGGDUJVJBRBJ-MNOVXSKESA-N	-1	0	291.369	0.752	20	30		CCEDRM
C=CCC1(NS(=O)(=O)[C@H]2CC[C@H]2C(=O)[O-])CC1	ZINC001465114653	804144544	/nfs/dbraw/zinc/14/45/44/804144544.db2.gz	GEMHWCXRAGRRNE-BDAKNGLRSA-N	-1	0	259.327	0.878	20	30		CCEDRM
C=CCC[C@H](NC(=O)NCc1nccn1C)C(=O)[O-]	ZINC000315719837	804641988	/nfs/dbraw/zinc/64/19/88/804641988.db2.gz	CZIOHEZHWGSDFG-VIFPVBQESA-N	-1	0	266.301	0.639	20	30		CCEDRM
C=CCC[C@H](NC(=O)NCCn1ccnc1)C(=O)[O-]	ZINC000316044410	804667039	/nfs/dbraw/zinc/66/70/39/804667039.db2.gz	LCPQBWVAHYGXSQ-JTQLQIEISA-N	-1	0	266.301	0.602	20	30		CCEDRM
N#Cc1ncc(-c2cncc(C(=O)[O-])c2)nc1C#N	ZINC001241801022	806981427	/nfs/dbraw/zinc/98/14/27/806981427.db2.gz	SHMDGIFKRAOCQJ-UHFFFAOYSA-N	-1	0	251.205	0.980	20	30		CCEDRM
CCOC(=O)C[C@@H](CC#N)OCCS(=O)(=O)[O-]	ZINC001224568665	805056653	/nfs/dbraw/zinc/05/66/53/805056653.db2.gz	MFQYFXMEKMAMOH-MRVPVSSYSA-N	-1	0	265.287	0.126	20	30		CCEDRM
C=C[C@H](Oc1[n-]c(=O)nc2cnncc21)C(=O)OC	ZINC001226693260	805268477	/nfs/dbraw/zinc/26/84/77/805268477.db2.gz	UIZTZKCEPJNCCM-QMMMGPOBSA-N	-1	0	262.225	0.232	20	30		CCEDRM
C=C[C@H](Oc1[n-]c(=O)nnc1Br)C(=O)OC	ZINC001227066082	805315618	/nfs/dbraw/zinc/31/56/18/805315618.db2.gz	DMJIHVKSZWLPHO-BYPYZUCNSA-N	-1	0	290.073	0.446	20	30		CCEDRM
N#Cc1cc(C#N)cc(OC(=O)[C@H](O)CCC(=O)[O-])c1	ZINC001226896683	805292159	/nfs/dbraw/zinc/29/21/59/805292159.db2.gz	RGLVFENUIMQMOP-LLVKDONJSA-N	-1	0	274.232	0.561	20	30		CCEDRM
C=CCOC[C@H](CS(=O)(=O)[O-])Oc1ccc(=O)[nH]n1	ZINC001227092482	805320310	/nfs/dbraw/zinc/32/03/10/805320310.db2.gz	ALHKEHQQFCEGOE-MRVPVSSYSA-N	-1	0	290.297	0.020	20	30		CCEDRM
C=C[C@@H](CC(=O)OC(C)(C)C)Oc1nc(=O)[n-]c(=O)[nH]1	ZINC001227566596	805364426	/nfs/dbraw/zinc/36/44/26/805364426.db2.gz	ILFQRKDXWHQWNC-ZETCQYMHSA-N	-1	0	283.284	0.948	20	30		CCEDRM
C=C(C)C(=O)OC[C@@H](C)Oc1nnc(C(=O)OC)[n-]1	ZINC001228310720	805435162	/nfs/dbraw/zinc/43/51/62/805435162.db2.gz	HDYPZOPPNAZDBJ-SSDOTTSWSA-N	-1	0	269.257	0.478	20	30		CCEDRM
CC[C@@H]1OC(C)=C(Oc2nnc(C(=O)OC)[n-]2)C1=O	ZINC001228312865	805435299	/nfs/dbraw/zinc/43/52/99/805435299.db2.gz	XQFQTYLRSWRMJD-LURJTMIESA-N	-1	0	267.241	0.580	20	30		CCEDRM
CCCc1cc(C)nc(OC(=O)[C@@H](O)CC(=O)[O-])c1C#N	ZINC001228600151	805457954	/nfs/dbraw/zinc/45/79/54/805457954.db2.gz	XUCMHRLRQOPLLQ-NSHDSACASA-N	-1	0	292.291	0.955	20	30		CCEDRM
CC[C@@H](C#CC(=O)OC)Oc1[n-]c(=O)ccc1C#N	ZINC001228901189	805488354	/nfs/dbraw/zinc/48/83/54/805488354.db2.gz	KAMPAIZERMIFTM-JTQLQIEISA-N	-1	0	260.249	0.993	20	30		CCEDRM
N#Cc1cncc([N-]S(=O)(=O)C(F)(F)F)n1	ZINC001252282947	807802498	/nfs/dbraw/zinc/80/24/98/807802498.db2.gz	SCKLBJAENHZHFG-UHFFFAOYSA-N	-1	0	252.177	0.610	20	30		CCEDRM
C#CCN(CC#C)Cc1cn(-c2cncc(C(=O)[O-])c2)nn1	ZINC001254095481	808181523	/nfs/dbraw/zinc/18/15/23/808181523.db2.gz	AHFSFQVLMCGKNQ-UHFFFAOYSA-N	-1	0	295.302	0.429	20	30		CCEDRM
C=CC[C@H](NC(=O)c1ccc2nncn2c1)C(=O)[O-]	ZINC001256551364	808533873	/nfs/dbraw/zinc/53/38/73/808533873.db2.gz	QNMPPTIMJSDXJQ-VIFPVBQESA-N	-1	0	260.253	0.488	20	30		CCEDRM
C=CCOC[C@@H](CS(=O)(=O)[O-])OC/C=C/C(=O)OC	ZINC001224492877	815214403	/nfs/dbraw/zinc/21/44/03/815214403.db2.gz	QCEJWEWVVURBLJ-YEZKRMTDSA-N	-1	0	294.325	0.191	20	30		CCEDRM
N#Cc1ccc(S(=O)(=O)[N-]c2cc3n(n2)CCO3)cc1	ZINC001258053460	808651242	/nfs/dbraw/zinc/65/12/42/808651242.db2.gz	DITDCQJTNWQNEG-UHFFFAOYSA-N	-1	0	290.304	0.948	20	30		CCEDRM
COC(=O)CS(=O)(=O)[N-]c1ccc(F)c(C#N)c1F	ZINC001259025367	808722916	/nfs/dbraw/zinc/72/29/16/808722916.db2.gz	SZDYZNXMOIMXJZ-UHFFFAOYSA-N	-1	0	290.247	0.751	20	30		CCEDRM
N#Cc1ccnnc1[N-]S(=O)(=O)c1ccccn1	ZINC001259282610	808748775	/nfs/dbraw/zinc/74/87/75/808748775.db2.gz	DCMMERDVKYHLOL-UHFFFAOYSA-N	-1	0	261.266	0.544	20	30		CCEDRM
Cc1coc([N-]S(=O)(=O)c2cnn(C)c2)c1C#N	ZINC001259821583	808777415	/nfs/dbraw/zinc/77/74/15/808777415.db2.gz	HIQZGOADMDXYDW-UHFFFAOYSA-N	-1	0	266.282	0.994	20	30		CCEDRM
Cn1ccc(S(=O)(=O)[N-]c2c(O)cccc2C#N)n1	ZINC001259944154	808816314	/nfs/dbraw/zinc/81/63/14/808816314.db2.gz	KLSSRJFRVJBICI-UHFFFAOYSA-N	-1	0	278.293	0.798	20	30		CCEDRM
O=C([O-])c1cccc(S(=O)(=O)NCCS)c1	ZINC001260192270	808856554	/nfs/dbraw/zinc/85/65/54/808856554.db2.gz	HDQWJADLWGLXAH-UHFFFAOYSA-N	-1	0	261.324	0.593	20	30		CCEDRM
CN(CC#N)S(=O)(=O)c1cccc(C(=O)[O-])c1	ZINC001260187292	808856573	/nfs/dbraw/zinc/85/65/73/808856573.db2.gz	IPOWDPQCOABPOP-UHFFFAOYSA-N	-1	0	254.267	0.529	20	30		CCEDRM
Cc1n[nH]c(C)c1S(=O)(=O)[N-]c1cnc(C#N)nc1	ZINC001261023358	808898696	/nfs/dbraw/zinc/89/86/96/808898696.db2.gz	CXONEFBGWCYHAV-UHFFFAOYSA-N	-1	0	278.297	0.489	20	30		CCEDRM
C#C[C@H](NC(=O)c1c[n-]ncc1=O)C1CCOCC1	ZINC001262632610	809380047	/nfs/dbraw/zinc/38/00/47/809380047.db2.gz	OKNSYVSHTJLWOS-NSHDSACASA-N	-1	0	261.281	0.340	20	30		CCEDRM
C=CCNC(=O)C(C#N)=C([O-])c1cnn(CCCOC)c1	ZINC001263296509	809504467	/nfs/dbraw/zinc/50/44/67/809504467.db2.gz	IBIUPIAVUCQJJZ-GFCCVEGCSA-N	-1	0	290.323	0.544	20	30		CCEDRM
CNC(=O)C(C#N)=C([O-])c1cc(OC(F)F)n(C)n1	ZINC001263292479	809504690	/nfs/dbraw/zinc/50/46/90/809504690.db2.gz	HOLIPUJYLJHUMC-YFKPBYRVSA-N	-1	0	272.211	0.090	20	30		CCEDRM
N#CC(C(=O)NC1CCCC1)=C([O-])c1c[nH]c(C(N)=O)c1	ZINC001263375231	809514229	/nfs/dbraw/zinc/51/42/29/809514229.db2.gz	IWYRRWJFJDUGRX-SNVBAGLBSA-N	-1	0	288.307	0.495	20	30		CCEDRM
C=CCN(C)c1nnc(-c2nn[nH]n2)n1C[C@@H]1CCCO1	ZINC001263431913	809518827	/nfs/dbraw/zinc/51/88/27/809518827.db2.gz	QSPIYDAZPLKNHY-VIFPVBQESA-N	-1	0	290.331	0.259	20	30		CCEDRM
C#CC[C@@H](NC(=O)[C@@H]1Cc2ccccc2O1)C(=O)[O-]	ZINC000149935735	811483916	/nfs/dbraw/zinc/48/39/16/811483916.db2.gz	BIADNVIVYFRBFJ-PWSUYJOCSA-N	-1	0	259.261	0.583	20	30		CCEDRM
N#C[C@H]1CN(C(=O)c2cc3c(cc2O)OCO3)CCO1	ZINC000436556167	815498666	/nfs/dbraw/zinc/49/86/66/815498666.db2.gz	PPPHFLKTRLNLAF-QMMMGPOBSA-N	-1	0	276.248	0.485	20	30		CCEDRM
C#CC[C@H](NC(=O)Nc1cnn(CCC)c1)C(=O)[O-]	ZINC000722369049	812212345	/nfs/dbraw/zinc/21/23/45/812212345.db2.gz	BOWIVZZGJLYTCP-JTQLQIEISA-N	-1	0	264.285	0.891	20	30		CCEDRM
N#CCN1CC[C@H](Oc2[n-]c(=O)nc3cc[nH]c32)C1	ZINC001227810079	814533203	/nfs/dbraw/zinc/53/32/03/814533203.db2.gz	SLGHDXQFPCNKHM-QMMMGPOBSA-N	-1	0	259.269	0.640	20	30		CCEDRM
CN1CC[C@]2(CCN(C(=O)c3cccc(C#N)c3[O-])C2)C1=O	ZINC001271792571	814579668	/nfs/dbraw/zinc/57/96/68/814579668.db2.gz	FOJBOTPLTYIFHU-MRXNPFEDSA-N	-1	0	299.330	0.958	20	30		CCEDRM
C=C(Cl)CN1CC(CNC(=O)c2[nH]nc(C)c2[O-])C1	ZINC001031617724	817187983	/nfs/dbraw/zinc/18/79/83/817187983.db2.gz	OBSNAWGKRHGVFR-UHFFFAOYSA-N	-1	0	284.747	0.838	20	30		CCEDRM
CNC(=O)C(C#N)=C([O-])c1ccc(N)c([N+](=O)[O-])c1	ZINC000133373856	818679933	/nfs/dbraw/zinc/67/99/33/818679933.db2.gz	FGHAQNMEKTXZMC-SSDOTTSWSA-N	-1	0	262.225	0.245	20	30		CCEDRM
C#CCO[N-]C(=O)CSc1nncn1C(C)C	ZINC000704353173	819376573	/nfs/dbraw/zinc/37/65/73/819376573.db2.gz	NEIMENCIVKTKLT-UHFFFAOYSA-N	-1	0	254.315	0.632	20	30		CCEDRM
C=C(C)CN1CCO[C@H](CNC(=O)c2[nH]nc(C)c2[O-])C1	ZINC001035342769	819481730	/nfs/dbraw/zinc/48/17/30/819481730.db2.gz	LRAHTSDVDONYOZ-LLVKDONJSA-N	-1	0	294.355	0.430	20	30		CCEDRM
C=CC[C@@H](NC(=O)[C@@H]1CCc2cnn(C)c2C1)C(=O)[O-]	ZINC001119645618	821408156	/nfs/dbraw/zinc/40/81/56/821408156.db2.gz	WPUIVZXWZXKUEF-MWLCHTKSSA-N	-1	0	277.324	0.671	20	30		CCEDRM
Cc1nn(C)c(C=NNCC(=O)[O-])c1Br	ZINC000378673417	821592003	/nfs/dbraw/zinc/59/20/03/821592003.db2.gz	MKUHIGCRQQCBNB-UHFFFAOYSA-N	-1	0	275.106	0.499	20	30		CCEDRM
N#Cc1ccc2[nH]c(C(=O)NCCON)cc(=O)c2c1	ZINC001154559715	821612978	/nfs/dbraw/zinc/61/29/78/821612978.db2.gz	QTZUZHKYHIFOGA-UHFFFAOYSA-N	-1	0	272.264	0.020	20	30		CCEDRM
C=CC[C@@H](Nc1cccc(S(=O)(=O)[O-])n1)C(=O)OC	ZINC001169837157	836456045	/nfs/dbraw/zinc/45/60/45/836456045.db2.gz	YAVYXOLWQBGSBM-MRVPVSSYSA-N	-1	0	286.309	0.858	20	30		CCEDRM
O=C(CCO)CNC(=O)CCC(=O)C1=CC=C[CH]1	ZINC001184245832	844187790	/nfs/dbraw/zinc/18/77/90/844187790.db2.gz	CVZYNZFTEZYSII-UHFFFAOYSA-N	-1	0	250.274	0.104	20	30		CCEDRM
Cc1ccc(C#N)c(N[C@@H]2C(=O)N(S(=O)(=O)[O-])[C@H]2C)n1	ZINC001157067735	836782427	/nfs/dbraw/zinc/78/24/27/836782427.db2.gz	PMJQMWKTCUZSPZ-CBAPKCEASA-N	-1	0	296.308	0.076	20	30		CCEDRM
C[C@@H](NC(=O)c1cn[nH]n1)[C@@H](C)Nc1ccncc1C#N	ZINC001113356655	837094988	/nfs/dbraw/zinc/09/49/88/837094988.db2.gz	KJQLVKRZFCUTLX-RKDXNWHRSA-N	-1	0	285.311	0.112	20	30		CCEDRM
O=S(=O)(NCCS)c1cccnc1Cl	ZINC001184885171	844297897	/nfs/dbraw/zinc/29/78/97/844297897.db2.gz	VMHLBNNEWPKYGK-UHFFFAOYSA-N	-1	0	252.748	0.943	20	30		CCEDRM
N#CCN[C@@H]1CC[C@H](CNC(=O)c2ncccc2O)C1	ZINC001086678849	838345081	/nfs/dbraw/zinc/34/50/81/838345081.db2.gz	NWBCLIPOBPRRFI-WDEREUQCSA-N	-1	0	274.324	0.799	20	30		CCEDRM
CO[N-]C(=O)CNC(=O)C(C)(C)Oc1ccc(C#N)cc1	ZINC001134635691	839032502	/nfs/dbraw/zinc/03/25/02/839032502.db2.gz	ZHSLIJQOHRLTNW-UHFFFAOYSA-N	-1	0	291.307	0.509	20	30		CCEDRM
C#CC1(NS(=O)(=O)c2ccc(OC)c(C(=O)[O-])c2)CC1	ZINC001185325900	844402974	/nfs/dbraw/zinc/40/29/74/844402974.db2.gz	DXIOKUKUHJOKEY-UHFFFAOYSA-N	-1	0	295.316	0.838	20	30		CCEDRM
N#C[C@@H](NC(=O)CCc1nnn[n-]1)C1CCCCC1	ZINC001148335195	840785759	/nfs/dbraw/zinc/78/57/59/840785759.db2.gz	UMMQIESLQHYEIA-SNVBAGLBSA-N	-1	0	262.317	0.721	20	30		CCEDRM
CCCSCC(=O)NCCn1cc(C#N)c(=O)[n-]c1=O	ZINC001148392837	840790960	/nfs/dbraw/zinc/79/09/60/840790960.db2.gz	KPBQGCYUEOUDIZ-UHFFFAOYSA-N	-1	0	296.352	0.080	20	30		CCEDRM
N#C[C@H](NC(=O)c1cc(Cl)cc(Cl)c1[O-])C(N)=O	ZINC001148814446	840892375	/nfs/dbraw/zinc/89/23/75/840892375.db2.gz	SJJWCFHMFOJWPU-ZETCQYMHSA-N	-1	0	288.090	0.806	20	30		CCEDRM
N#Cc1ncc(NC(=O)Cc2nnn[n-]2)cc1C(F)(F)F	ZINC001176838222	842426346	/nfs/dbraw/zinc/42/63/46/842426346.db2.gz	SKNNESPEJYKRKL-UHFFFAOYSA-N	-1	0	297.200	0.666	20	30		CCEDRM
N#CCN(Cc1ccccc1)C(=O)Cn1nn[n-]c1=S	ZINC001177739278	842663809	/nfs/dbraw/zinc/66/38/09/842663809.db2.gz	MLSWRSBSHYYOQE-UHFFFAOYSA-N	-1	0	288.336	0.514	20	30		CCEDRM
N#Cc1cc(NC(=O)Cn2nn[n-]c2=S)ccc1O	ZINC001177740811	842664864	/nfs/dbraw/zinc/66/48/64/842664864.db2.gz	FIKGTBKNYRSDKS-UHFFFAOYSA-N	-1	0	276.281	0.178	20	30		CCEDRM
N#C[C@H](Cc1cccs1)C(=O)NCC(=O)CCC(=O)[O-]	ZINC001177918229	842709342	/nfs/dbraw/zinc/70/93/42/842709342.db2.gz	SBYODMCOJXEVQX-VIFPVBQESA-N	-1	0	294.332	0.980	20	30		CCEDRM
CC1(C#N)CN(C(=O)C(F)(F)C(F)(F)C(=O)[O-])C1	ZINC001180171488	843114604	/nfs/dbraw/zinc/11/46/04/843114604.db2.gz	VMACOBIIWHAMFR-UHFFFAOYSA-N	-1	0	268.166	0.714	20	30		CCEDRM
N#Cc1cc(NC(=O)C2=NNC(=O)CC2)c([O-])cc1F	ZINC001180258582	843133849	/nfs/dbraw/zinc/13/38/49/843133849.db2.gz	ISTZTUQSNSUILH-UHFFFAOYSA-N	-1	0	276.227	0.607	20	30		CCEDRM
CC(=O)N[C@H](CCO)C(=O)Nc1cc(C#N)c(F)cc1[O-]	ZINC001182129338	843722843	/nfs/dbraw/zinc/72/28/43/843722843.db2.gz	DHTKZFMTXZNMNF-SNVBAGLBSA-N	-1	0	295.270	0.229	20	30		CCEDRM
C#CC(C)(C)C(=O)Nc1ccc2c(c1)S(=O)(=O)[N-]C2=O	ZINC001182636503	843870745	/nfs/dbraw/zinc/87/07/45/843870745.db2.gz	QTCVZWVDSCTWTD-UHFFFAOYSA-N	-1	0	292.316	0.717	20	30		CCEDRM
CCOCCS(=O)(=O)[N-]c1oc(C)nc1C#N	ZINC001187246097	844678673	/nfs/dbraw/zinc/67/86/73/844678673.db2.gz	LFUOWWPSUYRTCP-UHFFFAOYSA-N	-1	0	259.287	0.633	20	30		CCEDRM
CO[N-]C(=O)CNc1cc(C#N)c(Br)cn1	ZINC001187775254	844756857	/nfs/dbraw/zinc/75/68/57/844756857.db2.gz	ZZFMCSRYGNSXCJ-UHFFFAOYSA-N	-1	0	285.101	0.805	20	30		CCEDRM
N#Cc1cncc([N-]S(=O)(=O)c2nccs2)n1	ZINC001187853376	844783743	/nfs/dbraw/zinc/78/37/43/844783743.db2.gz	MIXXCLQUQMDCFT-UHFFFAOYSA-N	-1	0	267.295	0.606	20	30		CCEDRM
C=CCCC(=O)N1CC[C@@H](N(C)Cc2n[nH]c(=O)[n-]2)C1	ZINC001189280450	845092556	/nfs/dbraw/zinc/09/25/56/845092556.db2.gz	SFOMHJAEDGZXBZ-SNVBAGLBSA-N	-1	0	279.344	0.509	20	30		CCEDRM
N#Cc1nc[nH]c1NC(=O)c1ccccc1S(=O)(=O)[O-]	ZINC001189678432	845183577	/nfs/dbraw/zinc/18/35/77/845183577.db2.gz	CORJSKJMQGDMPB-UHFFFAOYSA-N	-1	0	292.276	0.780	20	30		CCEDRM
Cc1nnc(C[N-]S(=O)(=O)c2cc(C#N)ccc2F)o1	ZINC001190677277	845461673	/nfs/dbraw/zinc/46/16/73/845461673.db2.gz	MIANEDCKZGCVPN-UHFFFAOYSA-N	-1	0	296.283	0.867	20	30		CCEDRM
C=CCC1(S(=O)(=O)[N-]c2cnc(C(N)=O)cn2)CC1	ZINC001190772662	845494956	/nfs/dbraw/zinc/49/49/56/845494956.db2.gz	GVCFASTUWYTZTK-UHFFFAOYSA-N	-1	0	282.325	0.426	20	30		CCEDRM
N#Cc1cnc([N-]S(=O)(=O)c2ccncc2)cn1	ZINC001190845040	845518190	/nfs/dbraw/zinc/51/81/90/845518190.db2.gz	CBKABXZFTFRQMC-UHFFFAOYSA-N	-1	0	261.266	0.544	20	30		CCEDRM
C#Cc1cc([N-]S(=O)(=O)c2ccncc2)ccn1	ZINC001190853876	845522750	/nfs/dbraw/zinc/52/27/50/845522750.db2.gz	CWWLMHLSCLRQLE-UHFFFAOYSA-N	-1	0	259.290	0.681	20	30		CCEDRM
COc1cc(C#N)ccc1C(=O)N[C@@H]1SC(=O)[N-]C1=O	ZINC001192268276	845810205	/nfs/dbraw/zinc/81/02/05/845810205.db2.gz	IPLPASQMTZASMV-LLVKDONJSA-N	-1	0	291.288	0.606	20	30		CCEDRM
N=C(c1nonc1N)N(O)C(=O)c1c(F)ccc(F)c1[O-]	ZINC001192694851	845895293	/nfs/dbraw/zinc/89/52/93/845895293.db2.gz	PNSNENGFFAKPJJ-UHFFFAOYSA-N	-1	0	299.193	0.493	20	30		CCEDRM
N#CCS(=O)(=O)[N-]c1nnc(-c2ccco2)o1	ZINC001192934707	845940409	/nfs/dbraw/zinc/94/04/09/845940409.db2.gz	CXGXZHOSBUWDMR-UHFFFAOYSA-N	-1	0	254.227	0.595	20	30		CCEDRM
COc1cc2nc[nH]c(=O)c2cc1[N-]S(=O)(=O)CC#N	ZINC001192985347	845944801	/nfs/dbraw/zinc/94/48/01/845944801.db2.gz	ATNNADLHIQPAGM-UHFFFAOYSA-N	-1	0	294.292	0.609	20	30		CCEDRM
N#CCS(=O)(=O)[N-]C(C(F)(F)F)C(F)(F)F	ZINC001192995532	845949994	/nfs/dbraw/zinc/94/99/94/845949994.db2.gz	GRCZRFJRSJLKAL-UHFFFAOYSA-N	-1	0	270.154	0.923	20	30		CCEDRM
COC(=O)c1cc(C)cnc1[N-]S(=O)(=O)[C@H](C)C#N	ZINC001193104931	845978229	/nfs/dbraw/zinc/97/82/29/845978229.db2.gz	OJVPKCQHQRHQKH-MRVPVSSYSA-N	-1	0	283.309	0.830	20	30		CCEDRM
C[C@H](C#N)S(=O)(=O)[N-]c1cn2ccccc2n1	ZINC001193111439	845980438	/nfs/dbraw/zinc/98/04/38/845980438.db2.gz	HEDZFCSRQKVCOU-MRVPVSSYSA-N	-1	0	250.283	0.988	20	30		CCEDRM
CCc1nc2ccc([N-]S(=O)(=O)[C@@H](C)C#N)cn2n1	ZINC001193112924	845982224	/nfs/dbraw/zinc/98/22/24/845982224.db2.gz	WSTQMHHQISDRJD-QMMMGPOBSA-N	-1	0	279.325	0.945	20	30		CCEDRM
CCOC(=O)c1nc([N-]S(=O)(=O)[C@@H](C)C#N)cn1C	ZINC001193113095	845982877	/nfs/dbraw/zinc/98/28/77/845982877.db2.gz	ZGMCPRLBPNVOGV-ZETCQYMHSA-N	-1	0	286.313	0.251	20	30		CCEDRM
Cc1cccc(C(N)=O)c1[N-]S(=O)(=O)[C@H](C)C#N	ZINC001193149049	846006840	/nfs/dbraw/zinc/00/68/40/846006840.db2.gz	JJUDUGXLEADDAG-MRVPVSSYSA-N	-1	0	267.310	0.748	20	30		CCEDRM
C[C@H](C#N)S(=O)(=O)[N-]c1ccc(F)cc1OCCO	ZINC001193158857	846008169	/nfs/dbraw/zinc/00/81/69/846008169.db2.gz	VPXAZFHRMRHFLF-MRVPVSSYSA-N	-1	0	288.300	0.851	20	30		CCEDRM
Cc1noc([N-]S(=O)(=O)C[C@H]2CCCO2)c1C#N	ZINC001193196332	846015580	/nfs/dbraw/zinc/01/55/80/846015580.db2.gz	KJYZICUEFWAMAE-MRVPVSSYSA-N	-1	0	271.298	0.775	20	30		CCEDRM
C[C@@]1(CO)CN(C(=O)c2ccc([O-])c(C#N)c2)CC[C@H]1O	ZINC001193505083	846101344	/nfs/dbraw/zinc/10/13/44/846101344.db2.gz	CJDBRVKBCKHUAP-HIFRSBDPSA-N	-1	0	290.319	0.469	20	30		CCEDRM
CC(=O)N1CC(NC(=O)c2ccc([O-])c(C#N)c2)C1	ZINC001193514727	846102981	/nfs/dbraw/zinc/10/29/81/846102981.db2.gz	GEPQANYUKRCLFO-UHFFFAOYSA-N	-1	0	259.265	0.224	20	30		CCEDRM
C[C@@]1(CO)CCN(C(=O)c2cccc(C#N)c2[O-])C[C@@H]1O	ZINC001193642175	846135081	/nfs/dbraw/zinc/13/50/81/846135081.db2.gz	CPXMZBNSIJUHEP-WFASDCNBSA-N	-1	0	290.319	0.469	20	30		CCEDRM
CN1CCOC[C@@H]1CNC(=O)c1cccc(C#N)c1[O-]	ZINC001193657910	846140110	/nfs/dbraw/zinc/14/01/10/846140110.db2.gz	LISKNFFILPGKAK-NSHDSACASA-N	-1	0	275.308	0.324	20	30		CCEDRM
Cc1ncc(C#N)cc1NC(=O)c1cc(=O)n(C)[n-]1	ZINC001194189467	846236559	/nfs/dbraw/zinc/23/65/59/846236559.db2.gz	ZNIJSDYHPZKHMX-UHFFFAOYSA-N	-1	0	257.253	0.953	20	30		CCEDRM
Cc1ccc([O-])c(C(=O)n2nc(N)c(C#N)c2N)n1	ZINC001195319939	846505464	/nfs/dbraw/zinc/50/54/64/846505464.db2.gz	WAMULEGUHVOTMD-UHFFFAOYSA-N	-1	0	258.241	0.017	20	30		CCEDRM
Cn1ncc(C#N)c1[N-]S(=O)(=O)c1ccc(O)cc1	ZINC001195762737	846611442	/nfs/dbraw/zinc/61/14/42/846611442.db2.gz	DWQLPCYGVZNOHD-UHFFFAOYSA-N	-1	0	278.293	0.798	20	30		CCEDRM
CC(C)(CNC(=O)c1ccc(C#N)cc1[O-])C(N)=O	ZINC001195764038	846613573	/nfs/dbraw/zinc/61/35/73/846613573.db2.gz	FZVSAYWCMKHKMX-UHFFFAOYSA-N	-1	0	261.281	0.505	20	30		CCEDRM
N#Cc1c(N)nn(C(=O)c2ccc(C#N)cc2[O-])c1N	ZINC001195741556	846619021	/nfs/dbraw/zinc/61/90/21/846619021.db2.gz	VHAVCZDANYVCDH-UHFFFAOYSA-N	-1	0	268.236	0.185	20	30		CCEDRM
N#Cc1ccc(C(=O)N2CCC3(C2)OCCO3)c([O-])c1	ZINC001195741978	846620085	/nfs/dbraw/zinc/62/00/85/846620085.db2.gz	TWYBOROXRPBYCQ-UHFFFAOYSA-N	-1	0	274.276	0.853	20	30		CCEDRM
CCOC(=O)CS(=O)(=O)[N-]c1sccc1C#N	ZINC001195934299	846652847	/nfs/dbraw/zinc/65/28/47/846652847.db2.gz	PULRAVWTINNCIM-UHFFFAOYSA-N	-1	0	274.323	0.925	20	30		CCEDRM
COC(=O)CCCCS(=O)(=O)[N-]c1cncc(C#N)n1	ZINC001196914316	846818161	/nfs/dbraw/zinc/81/81/61/846818161.db2.gz	BQZCMELKYHBOCO-UHFFFAOYSA-N	-1	0	298.324	0.433	20	30		CCEDRM
Cc1ncc(S(=O)(=O)[N-]c2cncc(C#N)n2)n1C	ZINC001198354184	847102468	/nfs/dbraw/zinc/10/24/68/847102468.db2.gz	PGCNNTADWUTMGR-UHFFFAOYSA-N	-1	0	278.297	0.191	20	30		CCEDRM
COC(=O)CCCS(=O)(=O)[N-]c1oc(C)nc1C#N	ZINC001201905102	847831004	/nfs/dbraw/zinc/83/10/04/847831004.db2.gz	GCAWCDAXHVYAFF-UHFFFAOYSA-N	-1	0	287.297	0.550	20	30		CCEDRM
CN(C(=O)c1ccc2oc(=O)nc-2[n-]1)C1CN(CC#N)C1	ZINC001044181884	851035643	/nfs/dbraw/zinc/03/56/43/851035643.db2.gz	KJCOZDIEFWLPBZ-UHFFFAOYSA-N	-1	0	287.279	0.208	20	30		CCEDRM
CC1(C)C[C@@]1(C#N)[N-]S(=O)(=O)N=S(C)(C)=O	ZINC000903129573	852144930	/nfs/dbraw/zinc/14/49/30/852144930.db2.gz	DDOIEKJKEDAVNO-QMMMGPOBSA-N	-1	0	265.360	0.241	20	30		CCEDRM
C#CC[C@H](NC(=O)c1c(C)onc1CC)C(=O)[O-]	ZINC000149648822	853991258	/nfs/dbraw/zinc/99/12/58/853991258.db2.gz	MQCRSJXLKLCUKX-VIFPVBQESA-N	-1	0	250.254	0.752	20	30		CCEDRM
C#CC[C@H](NC(=O)[C@@H]1CCCN1C(=O)C(C)(C)C)C(=O)[O-]	ZINC000149753862	853996992	/nfs/dbraw/zinc/99/69/92/853996992.db2.gz	KYWZWEWWBDHXOD-QWRGUYRKSA-N	-1	0	294.351	0.616	20	30		CCEDRM
C#CC[C@@H](NC(=O)c1ccc(N(C)C)nc1)C(=O)[O-]	ZINC000149785124	853998664	/nfs/dbraw/zinc/99/86/64/853998664.db2.gz	ZBPYPWSLFCMNAD-SNVBAGLBSA-N	-1	0	261.281	0.354	20	30		CCEDRM
CC1=CC(=O)C(=C([O-])C=Cc2cnnn2C)C(=O)O1	ZINC001116219146	855733409	/nfs/dbraw/zinc/73/34/09/855733409.db2.gz	CHZVEZNCYJTBLG-BYCRGOAPSA-N	-1	0	261.237	0.043	20	30		CCEDRM
Cc1cc(C(=O)Nc2nc(C#N)c(C#N)[n-]2)cnn1	ZINC001116748291	855825679	/nfs/dbraw/zinc/82/56/79/855825679.db2.gz	KMNIPHMKULCPTI-UHFFFAOYSA-N	-1	0	253.225	0.504	20	30		CCEDRM
C=CC[C@@H](NC(=O)[C@H](C)OCCOCC)C(=O)[O-]	ZINC001116906167	855862658	/nfs/dbraw/zinc/86/26/58/855862658.db2.gz	GJZXBIHLLWKMGH-VHSXEESVSA-N	-1	0	259.302	0.574	20	30		CCEDRM
C=C[C@@H]1OCC[C@H]1C(=O)[N-]S(=O)(=O)C(C)(C)C	ZINC001117785612	856078386	/nfs/dbraw/zinc/07/83/86/856078386.db2.gz	PBSBJJTVSOPMSO-BDAKNGLRSA-N	-1	0	261.343	0.822	20	30		CCEDRM
C=CC[C@@H](NC(=O)C1(n2cnnn2)CCCCC1)C(=O)[O-]	ZINC001118245696	856223288	/nfs/dbraw/zinc/22/32/88/856223288.db2.gz	HBEAPBYNTXGDEW-SNVBAGLBSA-N	-1	0	293.327	0.478	20	30		CCEDRM
C=C[C@H](C)O[N-]C(=O)C(=O)Nc1cc[nH]c1C(=O)OCC	ZINC001118314210	856255394	/nfs/dbraw/zinc/25/53/94/856255394.db2.gz	VGAXIDSBSKJGCE-QMMMGPOBSA-N	-1	0	295.295	0.752	20	30		CCEDRM
CC(C)(C#N)CS(=O)(=O)[N-]C(=O)c1cccnn1	ZINC001118855244	856465800	/nfs/dbraw/zinc/46/58/00/856465800.db2.gz	FQLQNCKHFKZKBB-UHFFFAOYSA-N	-1	0	268.298	0.086	20	30		CCEDRM
C#CCN(Cc1ccc(F)cc1)C(=O)COCC(=O)[O-]	ZINC001119576559	856750858	/nfs/dbraw/zinc/75/08/58/856750858.db2.gz	CFCXKHLFTOKBEF-UHFFFAOYSA-N	-1	0	279.267	0.889	20	30		CCEDRM
N#CCCCCC(=O)N1CCSC[C@@H]1c1nnn[n-]1	ZINC001119629617	856791242	/nfs/dbraw/zinc/79/12/42/856791242.db2.gz	GTWDPEZVIQNHOY-SECBINFHSA-N	-1	0	280.357	0.900	20	30		CCEDRM
C=CCCOCCNC(=O)C(=O)[N-]OCc1ccccc1	ZINC001323440173	912347052	/nfs/dbraw/zinc/34/70/52/912347052.db2.gz	MFIUIEYJAGOXCP-UHFFFAOYSA-N	-1	0	292.335	0.943	20	30		CCEDRM
CN1CCN(c2ccc(C=NNCC(=O)[O-])cc2F)CC1	ZINC001324207906	912721656	/nfs/dbraw/zinc/72/16/56/912721656.db2.gz	SRFJFXQQALDNEU-UHFFFAOYSA-N	-1	0	294.330	0.586	20	30		CCEDRM
CCC[C@H](C)C(=O)NCCn1cc(C#N)c(=O)[n-]c1=O	ZINC001362689111	893620892	/nfs/dbraw/zinc/62/08/92/893620892.db2.gz	MTSWACVHHIETKS-VIFPVBQESA-N	-1	0	278.312	0.373	20	30		CCEDRM
CCN(CC)C(=O)CNC(=O)c1[n-]c(=O)c(C#N)cc1C	ZINC001363891625	893844291	/nfs/dbraw/zinc/84/42/91/893844291.db2.gz	AZZRKVIIIXUMJZ-UHFFFAOYSA-N	-1	0	290.323	0.566	20	30		CCEDRM
N#Cc1cccc(O)c1OC(=O)[C@H](O)CC(=O)[O-]	ZINC001226520528	893944688	/nfs/dbraw/zinc/94/46/88/893944688.db2.gz	PKBKXPBWKIJGPB-MRVPVSSYSA-N	-1	0	251.194	0.005	20	30		CCEDRM
C=CCN1C[C@@H]2C[C@H]1CN2C(=O)c1c[n-]n2c1nccc2=O	ZINC001032670963	897916008	/nfs/dbraw/zinc/91/60/08/897916008.db2.gz	VHEOGNZNKKRMGJ-QWRGUYRKSA-N	-1	0	299.334	0.107	20	30		CCEDRM
Cc1n[nH]c(C(=O)N[C@@H](C)CCNC(=O)[C@H](C)C#N)c1[O-]	ZINC001078130602	898248743	/nfs/dbraw/zinc/24/87/43/898248743.db2.gz	HNQIQZJKYLRDMU-SFYZADRCSA-N	-1	0	293.327	0.208	20	30		CCEDRM
N#Cc1c[n-]c(=O)n(Cc2ccc(C(F)(F)F)cn2)c1=O	ZINC001364617922	899008854	/nfs/dbraw/zinc/00/88/54/899008854.db2.gz	XHYKPNCGVSAHSR-UHFFFAOYSA-N	-1	0	296.208	0.870	20	30		CCEDRM
CCOC(=O)c1nc(C)oc1[N-]S(=O)(=O)[C@@H](C)C#N	ZINC001193106894	900031644	/nfs/dbraw/zinc/03/16/44/900031644.db2.gz	KNTHFCQALMWSHL-LURJTMIESA-N	-1	0	287.297	0.814	20	30		CCEDRM
Cc1ncc(C#N)cc1[N-]S(=O)(=O)[C@@H](C)C#N	ZINC001193107708	900032560	/nfs/dbraw/zinc/03/25/60/900032560.db2.gz	ZXWXQNNETGCTQG-ZETCQYMHSA-N	-1	0	250.283	0.915	20	30		CCEDRM
Cc1cc(C#N)c(=O)[n-]c1C(=O)N1CC[C@H](C)[C@@H](O)C1	ZINC001411981576	901373841	/nfs/dbraw/zinc/37/38/41/901373841.db2.gz	AFQSSXAWMBDCRV-KWQFWETISA-N	-1	0	275.308	0.810	20	30		CCEDRM
N#Cc1cn(CC(=O)N[C@@H]2C[C@@H]3CCC[C@@H]23)c(=O)[n-]c1=O	ZINC001412780338	902114485	/nfs/dbraw/zinc/11/44/85/902114485.db2.gz	AAVKGRPKTOVAFN-JMJZKYOTSA-N	-1	0	288.307	0.125	20	30		CCEDRM
CC(C)CCN(CCC#N)c1[n-]c(=O)n(C)c(=O)c1C#N	ZINC001412877845	902325232	/nfs/dbraw/zinc/32/52/32/902325232.db2.gz	JNQYLEBSMIJSFH-UHFFFAOYSA-N	-1	0	289.339	0.711	20	30		CCEDRM
C[C@H]1C[C@@H](Nc2[n-]c(=O)n(C)c(=O)c2C#N)c2nccn21	ZINC001412886937	902331470	/nfs/dbraw/zinc/33/14/70/902331470.db2.gz	YIMBNVJSAQDFGS-IONNQARKSA-N	-1	0	286.295	0.260	20	30		CCEDRM
N#Cc1nc(NC(=O)[C@]2(C#N)CCCOC2)[n-]c1C#N	ZINC001413192825	902775822	/nfs/dbraw/zinc/77/58/22/902775822.db2.gz	JTSKMRCNRWDGNV-LBPRGKRZSA-N	-1	0	270.252	0.412	20	30		CCEDRM
CSCC[C@H](NC(=O)CC1(C#N)CC1)c1nnn[n-]1	ZINC001413294475	902850665	/nfs/dbraw/zinc/85/06/65/902850665.db2.gz	BMAVUDIKEXVWON-QMMMGPOBSA-N	-1	0	280.357	0.804	20	30		CCEDRM
COc1cc(C#N)ccc1C(=O)NC1(c2nnn[n-]2)CCC1	ZINC001413505109	902997973	/nfs/dbraw/zinc/99/79/73/902997973.db2.gz	ISURQSWHFYTMNG-UHFFFAOYSA-N	-1	0	298.306	0.889	20	30		CCEDRM
C=C[C@@H](CC)CC(=O)N[C@H]1C[C@H]([NH2+]Cc2n[nH]c(=O)[n-]2)C1	ZINC001490922941	903260719	/nfs/dbraw/zinc/26/07/19/903260719.db2.gz	LRAKTIQTYDULMV-DCAQKATOSA-N	-1	0	293.371	0.849	20	30		CCEDRM
C=CCN(CC(=O)OCC)C(=O)CCCc1nnn[n-]1	ZINC001295187499	906693395	/nfs/dbraw/zinc/69/33/95/906693395.db2.gz	QBDDTJUNZLAETL-UHFFFAOYSA-N	-1	0	281.316	0.100	20	30		CCEDRM
CCN(CCCO)C(=O)c1[n-]c(=O)c(C#N)cc1C	ZINC001295191681	906694407	/nfs/dbraw/zinc/69/44/07/906694407.db2.gz	DPVIYLRWDIHFKS-UHFFFAOYSA-N	-1	0	263.297	0.812	20	30		CCEDRM
C#Cc1cncc(C(=O)N(C)C[C@@H](C)c2nnn[n-]2)c1	ZINC001296063553	906857279	/nfs/dbraw/zinc/85/72/79/906857279.db2.gz	JIUVTIOIGWFNME-SECBINFHSA-N	-1	0	270.296	0.452	20	30		CCEDRM
C#Cc1cncc(C(=O)N2CCC[C@H](c3nnn[n-]3)C2)c1	ZINC001296795289	906962364	/nfs/dbraw/zinc/96/23/64/906962364.db2.gz	LKLZNTHXMDCZFT-NSHDSACASA-N	-1	0	282.307	0.596	20	30		CCEDRM
COC(OC)[C@@H](C)NC(=O)c1[n-]c(=O)c(C#N)cc1C	ZINC001297518297	907086113	/nfs/dbraw/zinc/08/61/13/907086113.db2.gz	PKJFFYLJRMBJFQ-MRVPVSSYSA-N	-1	0	279.296	0.705	20	30		CCEDRM
Cn1c(=O)[n-]c(N2CC3CCC2CC3)c(C#N)c1=O	ZINC001337920459	921302996	/nfs/dbraw/zinc/30/29/96/921302996.db2.gz	JNGVXUFNSMCSPG-UHFFFAOYSA-N	-1	0	260.297	0.324	20	30		CCEDRM
CC(C)[C@@H](Nc1[n-]c(=O)n(C)c(=O)c1C#N)C1CC1	ZINC001337221175	908079465	/nfs/dbraw/zinc/07/94/65/908079465.db2.gz	SIPKDTGOHHCPGL-SNVBAGLBSA-N	-1	0	262.313	0.792	20	30		CCEDRM
C=C(C)C[C@@H](NS(=O)(=O)c1ccc(C#N)o1)C(=O)OC	ZINC001309762930	908474650	/nfs/dbraw/zinc/47/46/50/908474650.db2.gz	VRBWJKCPWVJVNA-SNVBAGLBSA-N	-1	0	298.320	0.937	20	30		CCEDRM
C#CC[NH2+]Cc1cc(=O)[nH]c(CNC(=O)[C@H]2C[C@H]2C)n1	ZINC001316714949	908692853	/nfs/dbraw/zinc/69/28/53/908692853.db2.gz	DVMOVXOZQGKAKS-KOLCDFICSA-N	-1	0	274.324	0.177	20	30		CCEDRM
CN(C)S(=O)(=O)[N-]C(=O)c1ccc(C#N)s1	ZINC001318956887	909935746	/nfs/dbraw/zinc/93/57/46/909935746.db2.gz	NSKZRXONDRBRHH-UHFFFAOYSA-N	-1	0	259.312	0.156	20	30		CCEDRM
C=C(CCC(=O)[O-])C(=O)Nc1nnc(OC)s1	ZINC001588633050	983746879	/nfs/dbraw/zinc/74/68/79/983746879.db2.gz	GVYAYPGTAZORPR-UHFFFAOYSA-N	-1	0	257.271	0.906	20	30		CCEDRM
C=CC[C@H](NC(=O)NCc1nc(C2CC2)no1)C(=O)[O-]	ZINC001321145582	911117968	/nfs/dbraw/zinc/11/79/68/911117968.db2.gz	VHZNKRPCHZXFSY-QMMMGPOBSA-N	-1	0	280.284	0.776	20	30		CCEDRM
C=CC[C@@H](NC(=O)C(=O)c1c(C)nn(C)c1C)C(=O)[O-]	ZINC001321206272	911159841	/nfs/dbraw/zinc/15/98/41/911159841.db2.gz	MGJHCAMJGGWBFG-SECBINFHSA-N	-1	0	279.296	0.365	20	30		CCEDRM
CCN(C(=O)[C@H](C)C#N)[C@@H]1CCN(Cc2n[nH]c(=O)[n-]2)C1	ZINC001391635784	911283597	/nfs/dbraw/zinc/28/35/97/911283597.db2.gz	IJZPOZURESSSHS-NXEZZACHSA-N	-1	0	292.343	0.093	20	30		CCEDRM
C=CC[C@@H](NC(=O)NC[C@@H](C)Cn1cccn1)C(=O)[O-]	ZINC001322515245	911839328	/nfs/dbraw/zinc/83/93/28/911839328.db2.gz	VWTKWQOSLNIULZ-GHMZBOCLSA-N	-1	0	280.328	0.848	20	30		CCEDRM
COCCO[N-]C(=O)C(=O)Nc1ccc(OCC#N)cc1	ZINC001339481247	921735105	/nfs/dbraw/zinc/73/51/05/921735105.db2.gz	HITNDSLUFNWKRW-UHFFFAOYSA-N	-1	0	293.279	0.222	20	30		CCEDRM
CSCCO[N-]C(=O)C(=O)NCc1ccc(C#N)cc1	ZINC001328243483	915054060	/nfs/dbraw/zinc/05/40/60/915054060.db2.gz	DKFQAQRRTUGZPN-UHFFFAOYSA-N	-1	0	293.348	0.585	20	30		CCEDRM
C#C[C@@H](C)N(C)c1nnc(-c2cc(=O)n(C)[n-]2)n1CC	ZINC001339713842	921807574	/nfs/dbraw/zinc/80/75/74/921807574.db2.gz	UZKGHRINXUFFGY-SECBINFHSA-N	-1	0	274.328	0.862	20	30		CCEDRM
C=CC[C@@H](NC(=O)CN1CCCCC1=O)C(=O)[O-]	ZINC001330251037	916509155	/nfs/dbraw/zinc/50/91/55/916509155.db2.gz	BYUGWKUMYLESRS-SECBINFHSA-N	-1	0	254.286	0.144	20	30		CCEDRM
C=CCO[C@@H]1CCN(C(=O)[C@H]2CC[C@H]2C(=O)[O-])C1	ZINC001330726838	916816210	/nfs/dbraw/zinc/81/62/10/916816210.db2.gz	AYSZVGADAUNEIC-OUAUKWLOSA-N	-1	0	253.298	0.901	20	30		CCEDRM
C=CCN1CC[C@H](N(C)Cc2cc(C(=O)[O-])nn2C)C1=O	ZINC001330828039	916903806	/nfs/dbraw/zinc/90/38/06/916903806.db2.gz	ZGFATCGEMPCXRN-LBPRGKRZSA-N	-1	0	292.339	0.337	20	30		CCEDRM
C=CC[C@@H](NC(=O)NCCOC1CCOCC1)C(=O)[O-]	ZINC001332474656	918190363	/nfs/dbraw/zinc/19/03/63/918190363.db2.gz	VKXFPHPHYSJANM-LLVKDONJSA-N	-1	0	286.328	0.511	20	30		CCEDRM
C=CC[C@H](NC(=O)Cc1cncc(O)c1)C(=O)[O-]	ZINC001332613884	918312736	/nfs/dbraw/zinc/31/27/36/918312736.db2.gz	PBRYNKYDPRSTED-JTQLQIEISA-N	-1	0	250.254	0.475	20	30		CCEDRM
C=CCC[C@@H](NC(=O)c1cnn(C)c1OC)C(=O)[O-]	ZINC001332620624	918319610	/nfs/dbraw/zinc/31/96/10/918319610.db2.gz	CZMDNCWKJNKKOT-SECBINFHSA-N	-1	0	267.285	0.578	20	30		CCEDRM
C#CC[NH+]1CCC(C(=O)N2C[C@@H](C)[C@](C)(C(=O)[O-])C2)CC1	ZINC001333349985	918824991	/nfs/dbraw/zinc/82/49/91/918824991.db2.gz	JFEITNMUQCYQKR-MLGOLLRUSA-N	-1	0	292.379	0.901	20	30		CCEDRM
C#C[C@H]([N-]S(=O)(=O)c1cc(C(=O)OC)no1)C(C)C	ZINC001334956259	919864140	/nfs/dbraw/zinc/86/41/40/919864140.db2.gz	DRXZLXDVOGAOJR-QMMMGPOBSA-N	-1	0	286.309	0.397	20	30		CCEDRM
Cc1cocc1C(=O)[N-]S(=O)(=O)CCCC#N	ZINC001335169569	919995014	/nfs/dbraw/zinc/99/50/14/919995014.db2.gz	LJIOSAPREFBSGU-UHFFFAOYSA-N	-1	0	256.283	0.951	20	30		CCEDRM
C=C[C@@H](COC)NS(=O)(=O)c1cccc(C(=O)[O-])c1	ZINC001336352707	920730118	/nfs/dbraw/zinc/73/01/18/920730118.db2.gz	NSQMLUIIZSHULJ-JTQLQIEISA-N	-1	0	285.321	0.864	20	30		CCEDRM
CCOCCC1(CNc2[n-]c(=O)n(C)c(=O)c2C#N)CC1	ZINC001336555697	920831082	/nfs/dbraw/zinc/83/10/82/920831082.db2.gz	HRKGREACAWJACP-UHFFFAOYSA-N	-1	0	292.339	0.564	20	30		CCEDRM
C[C@@H](CCC1CC1)Nc1[n-]c(=O)n(C)c(=O)c1C#N	ZINC001336582778	920851660	/nfs/dbraw/zinc/85/16/60/920851660.db2.gz	GNSNMCLVSQPYCS-QMMMGPOBSA-N	-1	0	262.313	0.936	20	30		CCEDRM
Cc1ccc(C(=O)NCCn2cc(C#N)c(=O)[n-]c2=O)o1	ZINC001418528909	922220522	/nfs/dbraw/zinc/22/05/22/922220522.db2.gz	JRGRLQGCIDMPQP-UHFFFAOYSA-N	-1	0	288.263	0.152	20	30		CCEDRM
Cn1nc(C2CC2)cc1C([O-])=C(C#N)C(=O)NC1CC1	ZINC001342050450	922780384	/nfs/dbraw/zinc/78/03/84/922780384.db2.gz	YJHOFJITFWMFGX-SNVBAGLBSA-N	-1	0	272.308	0.899	20	30		CCEDRM
Cc1ccc(CNC(=O)c2n[nH]c(=O)[n-]c2=O)cc1C#N	ZINC001419371141	922786711	/nfs/dbraw/zinc/78/67/11/922786711.db2.gz	LXVNDJDXANIHIQ-UHFFFAOYSA-N	-1	0	285.263	0.393	20	30		CCEDRM
COCCn1cc(C([O-])=C(C#N)C(=O)NC2CC2)c(C)n1	ZINC001342582832	923010607	/nfs/dbraw/zinc/01/06/07/923010607.db2.gz	GFXGWUNVPMFFSX-LLVKDONJSA-N	-1	0	290.323	0.439	20	30		CCEDRM
N#CC(C(=O)N1CCCC1)=C([O-])c1cnc2n1CCOC2	ZINC001342631404	923033432	/nfs/dbraw/zinc/03/34/32/923033432.db2.gz	PSPNDUPXOZGUHL-SNVBAGLBSA-N	-1	0	288.307	0.358	20	30		CCEDRM
C#CCSCC(=O)OCc1n[n-]c(C)cc1=O	ZINC001342663905	923045970	/nfs/dbraw/zinc/04/59/70/923045970.db2.gz	YPTMJBIEGSKORI-UHFFFAOYSA-N	-1	0	252.295	0.900	20	30		CCEDRM
C#C[C@@H](NC(=O)N(CCOC)CCC(=O)[O-])[C@H]1CCCO1	ZINC001343040016	923180650	/nfs/dbraw/zinc/18/06/50/923180650.db2.gz	DBFONWYGRYHGJV-VXGBXAGGSA-N	-1	0	298.339	0.300	20	30		CCEDRM
C=CCNC(=O)C(C#N)=C([O-])c1coc(C(N)=O)c1	ZINC001343364687	923287649	/nfs/dbraw/zinc/28/76/49/923287649.db2.gz	CQQXSYJTSFGUGH-QMMMGPOBSA-N	-1	0	261.237	0.003	20	30		CCEDRM
Cc1c(C([O-])=C(C#N)C(=O)NC2CC2)nnn1C(C)C	ZINC001343385876	923294104	/nfs/dbraw/zinc/29/41/04/923294104.db2.gz	HNNCFSHHDXBILP-SNVBAGLBSA-N	-1	0	275.312	0.769	20	30		CCEDRM
COCc1ncsc1C([O-])=C(C#N)C(=O)NC1CC1	ZINC001343476810	923337156	/nfs/dbraw/zinc/33/71/56/923337156.db2.gz	HBJRBEOHPKVYJE-MRVPVSSYSA-N	-1	0	279.321	0.891	20	30		CCEDRM
COCCNC(=O)C(C#N)=C([O-])c1cc(C)nc(C)c1	ZINC001343486890	923344249	/nfs/dbraw/zinc/34/42/49/923344249.db2.gz	ALLKHZAANUIBRL-GFCCVEGCSA-N	-1	0	275.308	0.784	20	30		CCEDRM
COc1c(C([O-])=C(C#N)C(=O)NC2CC2)cnn1C	ZINC001343589098	923382343	/nfs/dbraw/zinc/38/23/43/923382343.db2.gz	BHFPBYMATQNIGH-MRVPVSSYSA-N	-1	0	262.269	0.030	20	30		CCEDRM
Cc1nc(-c2ccncc2)[nH]c(=O)c1CC(=O)N[C@@H](C)C#N	ZINC001343709485	923435107	/nfs/dbraw/zinc/43/51/07/923435107.db2.gz	BLSRWHZUCANGGU-VIFPVBQESA-N	-1	0	297.318	0.711	20	30		CCEDRM
N#CCCn1cc(C=NNCC(=O)[O-])c(-c2ccncc2)n1	ZINC001343890542	923494155	/nfs/dbraw/zinc/49/41/55/923494155.db2.gz	VQPWVRPRTBJLKW-UHFFFAOYSA-N	-1	0	298.306	0.867	20	30		CCEDRM
C#CC[C@H](NC(=O)[C@]1([C@@H]2CCCCO2)CCCO1)C(=O)[O-]	ZINC001345123736	923797981	/nfs/dbraw/zinc/79/79/81/923797981.db2.gz	XFLQAOKSUDKFGT-SLEUVZQESA-N	-1	0	295.335	0.697	20	30		CCEDRM
CNC(=O)C(C#N)=C([O-])c1csc(S(C)(=O)=O)c1	ZINC001346055232	924058737	/nfs/dbraw/zinc/05/87/37/924058737.db2.gz	XSULHJKXGZQBQK-SSDOTTSWSA-N	-1	0	286.334	0.220	20	30		CCEDRM
Cn1c(=O)[n-]c(NC[C@@]2(C)CCCC[C@H]2O)c(C#N)c1=O	ZINC001421074871	924135610	/nfs/dbraw/zinc/13/56/10/924135610.db2.gz	ALLVIUQQJXLFLJ-QMTHXVAHSA-N	-1	0	292.339	0.298	20	30		CCEDRM
C=C(C)[C@@H]1OCC[C@H]1CNC(=O)c1c[n-]ncc1=O	ZINC001347060560	924360746	/nfs/dbraw/zinc/36/07/46/924360746.db2.gz	MEWWBCRUSSWSLS-CABZTGNLSA-N	-1	0	263.297	0.893	20	30		CCEDRM
C=CCCO[N-]C(=O)CN1CCCC2(CC2)S1(=O)=O	ZINC001347119279	924376057	/nfs/dbraw/zinc/37/60/57/924376057.db2.gz	CIPUSNFHCIBBKP-UHFFFAOYSA-N	-1	0	288.369	0.569	20	30		CCEDRM
C#Cc1ccc(C(=O)N2CC[C@@H](c3nnn[n-]3)C2)cc1	ZINC001347976407	924571404	/nfs/dbraw/zinc/57/14/04/924571404.db2.gz	YVPKVZGTCCRVTD-GFCCVEGCSA-N	-1	0	267.292	0.811	20	30		CCEDRM
C=CCCn1cc(CN[C@@H](C(=O)[O-])[C@@H]2CCCO2)nn1	ZINC001348503644	924707990	/nfs/dbraw/zinc/70/79/90/924707990.db2.gz	VWEMLGRYPLVHQN-NWDGAFQWSA-N	-1	0	280.328	0.576	20	30		CCEDRM
C=CCO[C@@H]1CCN(C(=O)CCCc2nnn[n-]2)C1	ZINC001350294259	925164908	/nfs/dbraw/zinc/16/49/08/925164908.db2.gz	PJEHJDRMYBWHPJ-SNVBAGLBSA-N	-1	0	265.317	0.326	20	30		CCEDRM
C=CCN(CC(=O)[O-])C(=O)CCc1nc2cccnc2[nH]1	ZINC001350769514	925274891	/nfs/dbraw/zinc/27/48/91/925274891.db2.gz	VYKBRQFDYPIMPK-UHFFFAOYSA-N	-1	0	288.307	0.990	20	30		CCEDRM
C#C[C@H]1CCCCN1c1nnc(-c2cc(=O)n(C)[n-]2)n1C	ZINC001350983466	925328079	/nfs/dbraw/zinc/32/80/79/925328079.db2.gz	FWCXUEJMOLLMOR-JTQLQIEISA-N	-1	0	286.339	0.913	20	30		CCEDRM
C=CC[C@@H](NC(=O)c1noc2c1COCC2)C(=O)[O-]	ZINC001351285293	925398091	/nfs/dbraw/zinc/39/80/91/925398091.db2.gz	VTYZRKIQTQIQAD-MRVPVSSYSA-N	-1	0	266.253	0.506	20	30		CCEDRM
C#CCONC(=O)CC1(O)CN(C(=O)OC(C)(C)C)C1	ZINC001352846700	925656501	/nfs/dbraw/zinc/65/65/01/925656501.db2.gz	ZZMXDCQZWWCRJO-UHFFFAOYSA-N	-1	0	284.312	0.039	20	30		CCEDRM
Cc1cc(C#N)c(=O)[n-]c1C(=O)NCCOC(=O)N(C)C	ZINC001300426636	925944511	/nfs/dbraw/zinc/94/45/11/925944511.db2.gz	PWLAJHURYSIQLE-UHFFFAOYSA-N	-1	0	292.295	0.395	20	30		CCEDRM
C=CC[C@H](NC(=O)[C@]1(OC)CCSC1)C(=O)[O-]	ZINC001354048128	925997123	/nfs/dbraw/zinc/99/71/23/925997123.db2.gz	XZVHCEKJCCAOBJ-KWQFWETISA-N	-1	0	259.327	0.654	20	30		CCEDRM
CCSCCCNc1[n-]c(=O)n(C)c(=O)c1C#N	ZINC001354188983	926037469	/nfs/dbraw/zinc/03/74/69/926037469.db2.gz	RYYFENMUKBNQSW-UHFFFAOYSA-N	-1	0	268.342	0.500	20	30		CCEDRM
CNC(=O)C(C#N)=C([O-])c1nn(C)c(C)c1Br	ZINC001356317979	926367838	/nfs/dbraw/zinc/36/78/38/926367838.db2.gz	RAZFGTASZFVNDD-ZCFIWIBFSA-N	-1	0	299.128	0.560	20	30		CCEDRM
CC1(NC(=O)CCn2cc(C#N)c(=O)[n-]c2=O)CCCC1	ZINC001361682391	927244333	/nfs/dbraw/zinc/24/43/33/927244333.db2.gz	YPKDDBSHMSLIRU-UHFFFAOYSA-N	-1	0	290.323	0.660	20	30		CCEDRM
CC[C@@H](NC(=O)c1cc(C#N)c(SC)[n-]c1=O)C(N)=O	ZINC001361841870	927377957	/nfs/dbraw/zinc/37/79/57/927377957.db2.gz	IVMTZRKYFWCJRU-MRVPVSSYSA-N	-1	0	294.336	0.374	20	30		CCEDRM
Cc1noc(CNC(=O)c2[n-]c(=O)c(C#N)cc2C)n1	ZINC001361931662	927457981	/nfs/dbraw/zinc/45/79/81/927457981.db2.gz	LELJCSHXAKBQIJ-UHFFFAOYSA-N	-1	0	273.252	0.589	20	30		CCEDRM
CC[S@](=O)CCNC(=O)c1[n-]c(=O)c(C#N)cc1C	ZINC001362161199	927679030	/nfs/dbraw/zinc/67/90/30/927679030.db2.gz	NSIUUOYCIDDQJE-IBGZPJMESA-N	-1	0	281.337	0.466	20	30		CCEDRM
Cc1cc(C#N)c(=O)[n-]c1C(=O)N1C[C@@H](O)CC(F)(F)C1	ZINC001362391180	927957648	/nfs/dbraw/zinc/95/76/48/927957648.db2.gz	IZDDCBASKVDKCM-VIFPVBQESA-N	-1	0	297.261	0.809	20	30		CCEDRM
C[C@H](NC(=O)Cn1cc(C#N)c(=O)[n-]c1=O)c1ccc[nH]1	ZINC001362421677	927998386	/nfs/dbraw/zinc/99/83/86/927998386.db2.gz	POTWBKHASZCBNN-QMMMGPOBSA-N	-1	0	287.279	0.026	20	30		CCEDRM
Cc1oc(C#N)cc1C(=O)NCc1nc([O-])cc(=O)[nH]1	ZINC001362727995	928415738	/nfs/dbraw/zinc/41/57/38/928415738.db2.gz	XXMOCTWVJOKRBT-UHFFFAOYSA-N	-1	0	274.236	0.591	20	30		CCEDRM
N#Cc1ccc(C(=O)NCCc2nc(=O)o[n-]2)c(F)c1	ZINC001362770710	928469010	/nfs/dbraw/zinc/46/90/10/928469010.db2.gz	BJTVZUZCOXUALM-UHFFFAOYSA-N	-1	0	276.227	0.346	20	30		CCEDRM
Cc1cc(C#N)c(=O)[n-]c1C(=O)N1CCC[C@H]1CCO	ZINC001362982657	928723771	/nfs/dbraw/zinc/72/37/71/928723771.db2.gz	NTCDGYWYMPPRNL-NSHDSACASA-N	-1	0	275.308	0.954	20	30		CCEDRM
N#Cc1cn(CCC(=O)N[C@@H]2C[C@H]2C2CC2)c(=O)[n-]c1=O	ZINC001363076581	928841573	/nfs/dbraw/zinc/84/15/73/928841573.db2.gz	TZNRFKFDYKULIG-WDEREUQCSA-N	-1	0	288.307	0.125	20	30		CCEDRM
CS(=O)(=O)c1nc(NC(=O)C2(C#N)CC3(CC3)C2)n[n-]1	ZINC001363114620	928886915	/nfs/dbraw/zinc/88/69/15/928886915.db2.gz	XYAWDAWSMZWQIR-UHFFFAOYSA-N	-1	0	295.324	0.231	20	30		CCEDRM
N#C[C@]1(C(=O)Nn2c(=O)[n-][nH]c2=O)CC2CCC1CC2	ZINC001363140304	928912173	/nfs/dbraw/zinc/91/21/73/928912173.db2.gz	SCSKQHGYCCUPSQ-WZQIAMPNSA-N	-1	0	277.284	0.479	20	30		CCEDRM
C[C@H]1OCCN(Cc2cc(=O)n3[n-]cc(C#N)c3n2)[C@@H]1C	ZINC001363214705	928984852	/nfs/dbraw/zinc/98/48/52/928984852.db2.gz	BVRDBLPOVDEOCR-NXEZZACHSA-N	-1	0	287.323	0.916	20	30		CCEDRM
N#CCOc1ccccc1C(=O)N1CC[C@@H](c2nnn[n-]2)C1	ZINC001363527704	929329433	/nfs/dbraw/zinc/32/94/33/929329433.db2.gz	UCRJUGQTAULSOF-SNVBAGLBSA-N	-1	0	298.306	0.732	20	30		CCEDRM
Cc1cnc(NC(=O)CCn2cc(C#N)c(=O)[n-]c2=O)o1	ZINC001363547543	929347183	/nfs/dbraw/zinc/34/71/83/929347183.db2.gz	AZGORNYVZXFGHC-UHFFFAOYSA-N	-1	0	289.251	0.146	20	30		CCEDRM
N#Cc1cn(CCC(=O)N[C@]23C[C@H]2CCC3)c(=O)[n-]c1=O	ZINC001363614421	929415612	/nfs/dbraw/zinc/41/56/12/929415612.db2.gz	YMTFGDPHTZJHTO-QMTHXVAHSA-N	-1	0	288.307	0.269	20	30		CCEDRM
CCO[C@@H]1CCCC[C@H]1Nc1[n-]c(=O)n(C)c(=O)c1C#N	ZINC001363732173	929528870	/nfs/dbraw/zinc/52/88/70/929528870.db2.gz	MHQMBZQDALSTRA-GHMZBOCLSA-N	-1	0	292.339	0.705	20	30		CCEDRM
CC[C@@H](C)C[C@H](C)NC(=O)Cn1cc(C#N)c(=O)[n-]c1=O	ZINC001444694877	929936319	/nfs/dbraw/zinc/93/63/19/929936319.db2.gz	QDFFMBXINQSGEO-ZJUUUORDSA-N	-1	0	292.339	0.761	20	30		CCEDRM
C=CCNC(=O)CNC(=O)c1cc(F)cc(F)c1[O-]	ZINC001446849988	930501455	/nfs/dbraw/zinc/50/14/55/930501455.db2.gz	VBRYBAGNHDGWFZ-UHFFFAOYSA-N	-1	0	270.235	0.702	20	30		CCEDRM
CC1=NO[C@H](CNC(=O)c2[n-]c(=O)c(C#N)cc2C)C1	ZINC001449940611	931210501	/nfs/dbraw/zinc/21/05/01/931210501.db2.gz	VDZSDTRLTJVLGB-JTQLQIEISA-N	-1	0	274.280	0.862	20	30		CCEDRM
CS(=O)(=O)c1cccc(C=NNCCC(=O)[O-])c1	ZINC001611083360	970883206	/nfs/dbraw/zinc/88/32/06/970883206.db2.gz	AXHKGPTVNQDTPT-UHFFFAOYSA-N	-1	0	270.310	0.488	20	30		CCEDRM
C#CC[C@H](NC(=O)c1ccc(C(=O)[O-])cn1)C(=O)OC	ZINC001602675178	971245800	/nfs/dbraw/zinc/24/58/00/971245800.db2.gz	LJYPPRMITALBAV-JTQLQIEISA-N	-1	0	276.248	0.075	20	30		CCEDRM
C#CCN(C(=O)C(=O)N1C[C@@H](C)C[C@H](C(=O)[O-])C1)C(C)C	ZINC001602675579	971250794	/nfs/dbraw/zinc/25/07/94/971250794.db2.gz	BEZRGMQSUWXJII-RYUDHWBXSA-N	-1	0	294.351	0.426	20	30		CCEDRM
C#CCN(CC(=O)[O-])C(=O)C(=O)Nc1ccc(C)c(C)c1	ZINC001602679430	971260263	/nfs/dbraw/zinc/26/02/63/971260263.db2.gz	PYPLQGLYNXCIQU-UHFFFAOYSA-N	-1	0	288.303	0.788	20	30		CCEDRM
C#CCN(CC(=O)[O-])C(=O)Cc1c(C)noc1Cl	ZINC001602684289	971280106	/nfs/dbraw/zinc/28/01/06/971280106.db2.gz	UPMNBEVQCDAWQZ-UHFFFAOYSA-N	-1	0	270.672	0.725	20	30		CCEDRM
C#CCN(CC(=O)[O-])C(=O)Nc1cccc2nonc21	ZINC001602688880	971292790	/nfs/dbraw/zinc/29/27/90/971292790.db2.gz	XZSNSLDIOXIYLI-UHFFFAOYSA-N	-1	0	274.236	0.775	20	30		CCEDRM
C#CCN(CC(=O)[O-])C(=O)c1cc(C#N)ccc1F	ZINC001602691710	971297794	/nfs/dbraw/zinc/29/77/94/971297794.db2.gz	UTQFCAYDZSEYPL-UHFFFAOYSA-N	-1	0	260.224	0.857	20	30		CCEDRM
C#CCN(CC(=O)[O-])C(=O)c1coc2c1C(=O)CCC2	ZINC001602692032	971299847	/nfs/dbraw/zinc/29/98/47/971299847.db2.gz	BSMKIOGOQOMHPJ-UHFFFAOYSA-N	-1	0	275.260	0.959	20	30		CCEDRM
C#CCN(CC(=O)[O-])C(=O)c1coc(CCC)n1	ZINC001602692142	971300855	/nfs/dbraw/zinc/30/08/55/971300855.db2.gz	FZLKFDYEXVXIEC-UHFFFAOYSA-N	-1	0	250.254	0.787	20	30		CCEDRM
C#CCN(CC(=O)[O-])C(=O)c1cccnc1-c1cnn(C)c1	ZINC001602692394	971302886	/nfs/dbraw/zinc/30/28/86/971302886.db2.gz	NIBYXBYAAJCDMK-UHFFFAOYSA-N	-1	0	298.302	0.642	20	30		CCEDRM
C#CCN(CC(=O)[O-])C(=O)c1cccc2c1C(=O)CC2	ZINC001602692761	971305077	/nfs/dbraw/zinc/30/50/77/971305077.db2.gz	ZOPVRJKJELUDJF-UHFFFAOYSA-N	-1	0	271.272	0.976	20	30		CCEDRM
C#CCN(CC(=O)[O-])[C@@H](C)C(=O)NCC(F)(F)F	ZINC001602695428	971307971	/nfs/dbraw/zinc/30/79/71/971307971.db2.gz	FRFVUIXXAWZQAU-ZETCQYMHSA-N	-1	0	266.219	0.073	20	30		CCEDRM
C#CCN(CC(=O)[O-])c1nnc(C2CC2)n1CCOC	ZINC001602700631	971319222	/nfs/dbraw/zinc/31/92/22/971319222.db2.gz	BRLKXGOSQMKJOJ-UHFFFAOYSA-N	-1	0	278.312	0.326	20	30		CCEDRM
C#CCN(Cc1ccccc1)[C@H]1CCN(CC(=O)[O-])C1=O	ZINC001602700977	971325098	/nfs/dbraw/zinc/32/50/98/971325098.db2.gz	QKMULUOAIOQYRV-AWEZNQCLSA-N	-1	0	286.331	0.807	20	30		CCEDRM
C#CCOc1cccc(NC(=O)[C@H]2CC(C(=O)[O-])=NO2)c1	ZINC001602704290	971333416	/nfs/dbraw/zinc/33/34/16/971333416.db2.gz	BPKRXCYKOQNVNR-GFCCVEGCSA-N	-1	0	288.259	0.867	20	30		CCEDRM
C=C(C)CCNC(=O)[C@H]1CCCN(CC(=O)[O-])C1=O	ZINC001602710238	971350098	/nfs/dbraw/zinc/35/00/98/971350098.db2.gz	RVEGIZKXRIUHKH-SNVBAGLBSA-N	-1	0	268.313	0.392	20	30		CCEDRM
C=CCN1CC[C@@H](N([C@H](C)C(=O)[O-])C2CC2)C1=O	ZINC001602722678	971388143	/nfs/dbraw/zinc/38/81/43/971388143.db2.gz	GCMSOZNYWJLXKL-MWLCHTKSSA-N	-1	0	252.314	0.711	20	30		CCEDRM
C=CCn1nnnc1N1C[C@@H](C)C[C@H](C(=O)[O-])C1	ZINC001602730893	971409985	/nfs/dbraw/zinc/40/99/85/971409985.db2.gz	INQNEYRHGBZKLK-IUCAKERBSA-N	-1	0	251.290	0.406	20	30		CCEDRM
C[C@H](C#N)N(CN1C[C@H](C(=O)[O-])CC1=O)C1CC1	ZINC001602786224	971532424	/nfs/dbraw/zinc/53/24/24/971532424.db2.gz	GASZPQCZNCSOGE-RKDXNWHRSA-N	-1	0	251.286	0.253	20	30		CCEDRM
N#Cc1ccccc1NC(=O)c1cn(CC(=O)[O-])nn1	ZINC000090718147	949124742	/nfs/dbraw/zinc/12/47/42/949124742.db2.gz	ZTHVSXBNMFQTAH-UHFFFAOYSA-N	-1	0	271.236	0.487	20	30		CCEDRM
C[C@H](C(=O)N[C@H](C(=O)[O-])c1ccccc1)n1cnc(C#N)n1	ZINC001602793164	971553008	/nfs/dbraw/zinc/55/30/08/971553008.db2.gz	RNISVHSQTXZJPU-SKDRFNHKSA-N	-1	0	299.290	0.653	20	30		CCEDRM
CC[C@H]1COCCN1CCNC(=O)[C@](C)(C#N)CC(=O)[O-]	ZINC001589626757	949487906	/nfs/dbraw/zinc/48/79/06/949487906.db2.gz	QADVKXKHAYWMCJ-FZMZJTMJSA-N	-1	0	297.355	0.218	20	30		CCEDRM
CC(C)(C#N)CC(=O)N[C@@H]1CCCCN(CC(=O)[O-])C1=O	ZINC001602830065	971648504	/nfs/dbraw/zinc/64/85/04/971648504.db2.gz	GMHNKWQFBRISTL-SNVBAGLBSA-N	-1	0	295.339	0.508	20	30		CCEDRM
CCN([C@H](C)C(=O)[O-])S(=O)(=O)N(C)C[C@H](C)C#N	ZINC001589713103	950338659	/nfs/dbraw/zinc/33/86/59/950338659.db2.gz	CKURZGOHYRLHAN-RKDXNWHRSA-N	-1	0	277.346	0.118	20	30		CCEDRM
CCOc1ccc(C#N)cc1NC(=O)COCC(=O)[O-]	ZINC001592343466	951325303	/nfs/dbraw/zinc/32/53/03/951325303.db2.gz	VCLSIOGJIIRHJB-UHFFFAOYSA-N	-1	0	278.264	0.997	20	30		CCEDRM
C[C@H]1CCC[C@](C#N)(NC(=O)COCC(=O)[O-])C1	ZINC001589315094	953827176	/nfs/dbraw/zinc/82/71/76/953827176.db2.gz	WCULWZHEUOPUAF-CABZTGNLSA-N	-1	0	254.286	0.676	20	30		CCEDRM
C[C@@H](C(=O)N1CCC[C@@H](C)[C@H]1C(=O)[O-])n1cnc(C#N)n1	ZINC001589320451	953861094	/nfs/dbraw/zinc/86/10/94/953861094.db2.gz	LAOGNAVFCZNKQE-YWVKMMECSA-N	-1	0	291.311	0.422	20	30		CCEDRM
CN(C(=O)[C@@H]1CCCN(CC(=O)[O-])C1=O)C1(C#N)CCC1	ZINC001593674980	953911430	/nfs/dbraw/zinc/91/14/30/953911430.db2.gz	HJRNXTHWNJWHCT-JTQLQIEISA-N	-1	0	293.323	0.214	20	30		CCEDRM
CN(C(=O)COC(=O)C(C)(C)C(=O)[O-])C(C)(C)C#N	ZINC001593675945	953926151	/nfs/dbraw/zinc/92/61/51/953926151.db2.gz	HUYXRQFDBRZMIR-UHFFFAOYSA-N	-1	0	270.285	0.401	20	30		CCEDRM
C[C@@H]1CN(C(=O)[C@@](C)(C#N)CC(=O)[O-])CC[C@@H]1O	ZINC001589366182	954198027	/nfs/dbraw/zinc/19/80/27/954198027.db2.gz	JZDBCMOBEFQICW-VDDIYKPWSA-N	-1	0	254.286	0.220	20	30		CCEDRM
CCC#C[C@@H](C)N1CCO[C@@](COC)(C(=O)[O-])C1	ZINC001589420563	954597884	/nfs/dbraw/zinc/59/78/84/954597884.db2.gz	WKROZGZQQOMORQ-YPMHNXCESA-N	-1	0	255.314	0.590	20	30		CCEDRM
CC[C@@H](C#N)C(=O)N[C@H](Cc1ccncc1)C(=O)[O-]	ZINC001589426119	954620876	/nfs/dbraw/zinc/62/08/76/954620876.db2.gz	DHGMNWNLUBKSFQ-WDEREUQCSA-N	-1	0	261.281	0.743	20	30		CCEDRM
CC[C@H](C(=O)[O-])N(C)C(=O)[C@@H](C)n1cnc(C#N)n1	ZINC001589429377	954641951	/nfs/dbraw/zinc/64/19/51/954641951.db2.gz	FXDYKUVKGJFSHL-HTQZYQBOSA-N	-1	0	265.273	0.032	20	30		CCEDRM
CC[C@@H](C(=O)[O-])N(C)CC(=O)NCc1ccc(C#N)cc1	ZINC001589441143	954718906	/nfs/dbraw/zinc/71/89/06/954718906.db2.gz	SWTFMSKIHSUJMG-ZDUSSCGKSA-N	-1	0	289.335	0.969	20	30		CCEDRM
CCC(CC)(C(=O)[O-])C(=O)NCCn1cnc(C#N)n1	ZINC001589474373	954948220	/nfs/dbraw/zinc/94/82/20/954948220.db2.gz	YVTWSVYSMCJPFT-UHFFFAOYSA-N	-1	0	279.300	0.157	20	30		CCEDRM
COC(=O)C1CC2(C1)CN(C(=O)CC#N)C[C@H]2C(=O)[O-]	ZINC001593821397	955041166	/nfs/dbraw/zinc/04/11/66/955041166.db2.gz	PYTGIOKLACAQRE-JVVWGOMOSA-N	-1	0	280.280	0.012	20	30		CCEDRM
Cn1c(CCCC#N)nnc1N1CCC(C(=O)[O-])CC1	ZINC001594518649	955443865	/nfs/dbraw/zinc/44/38/65/955443865.db2.gz	LGDSGNHOYPSSGW-UHFFFAOYSA-N	-1	0	277.328	0.962	20	30		CCEDRM
COC(=O)C[C@@H]1CCC[C@H]1NC(=O)[C@@](C)(C#N)CC(=O)[O-]	ZINC001593852566	955472960	/nfs/dbraw/zinc/47/29/60/955472960.db2.gz	UZKIKXRPAYMSFO-IMSIIYSGSA-N	-1	0	296.323	0.839	20	30		CCEDRM
C[C@H](CN(C)C(=O)C(=O)Nc1cccc(C#N)c1)C(=O)[O-]	ZINC001589022851	955486831	/nfs/dbraw/zinc/48/68/31/955486831.db2.gz	XJBRGJXMMIOEFR-SECBINFHSA-N	-1	0	289.291	0.676	20	30		CCEDRM
COC(=O)c1cc(C=NNCCC(=O)[O-])cn1C	ZINC001593868691	955608912	/nfs/dbraw/zinc/60/89/12/955608912.db2.gz	CIUFDHGIACVBQD-UHFFFAOYSA-N	-1	0	253.258	0.210	20	30		CCEDRM
C[C@H](CNC(=O)CNC(=O)c1ccc(C#N)cc1)C(=O)[O-]	ZINC001589046172	955628856	/nfs/dbraw/zinc/62/88/56/955628856.db2.gz	VOXUUSXVLDWFFV-SECBINFHSA-N	-1	0	289.291	0.125	20	30		CCEDRM
Cn1cncc1CCNC(=O)[C@@](C)(C#N)CC(=O)[O-]	ZINC001594558471	955787638	/nfs/dbraw/zinc/78/76/38/955787638.db2.gz	JQSJOBFNJYIUFG-GFCCVEGCSA-N	-1	0	264.285	0.083	20	30		CCEDRM
CO[C@@H](C(=O)[O-])C(=O)NCc1cccc(OCC#N)c1	ZINC001593907938	955946720	/nfs/dbraw/zinc/94/67/20/955946720.db2.gz	CEIDFXXINKOQGL-LLVKDONJSA-N	-1	0	278.264	0.305	20	30		CCEDRM
CO[C@](C)(C(=O)[O-])C(=O)N1CCC2(CC1)CC(=O)C=CO2	ZINC001593922068	956089065	/nfs/dbraw/zinc/08/90/65/956089065.db2.gz	GJRAFOFLAFQXDO-ZDUSSCGKSA-N	-1	0	297.307	0.340	20	30		CCEDRM
CO[C@@](C)(C(=O)[O-])C(=O)N1CCN([C@H](C#N)C(C)C)CC1	ZINC001593922495	956096322	/nfs/dbraw/zinc/09/63/22/956096322.db2.gz	QDQHBXACGNIFHN-BXUZGUMPSA-N	-1	0	297.355	0.168	20	30		CCEDRM
N#C[C@H](C(=O)COCC(=O)[O-])C(=O)NCc1ccccc1	ZINC001594601017	956129182	/nfs/dbraw/zinc/12/91/82/956129182.db2.gz	IOTNVOCHKLPIKA-LLVKDONJSA-N	-1	0	290.275	0.113	20	30		CCEDRM
N#C[C@@]1(NC(=O)c2cnc(C(=O)[O-])cn2)CCSC1	ZINC001594603129	956153669	/nfs/dbraw/zinc/15/36/69/956153669.db2.gz	YEDDHQWFIALLNY-NSHDSACASA-N	-1	0	278.293	0.304	20	30		CCEDRM
N#CCC1CN(C(=O)C2(C(=O)[O-])CCOCC2)C1	ZINC001594605672	956171169	/nfs/dbraw/zinc/17/11/69/956171169.db2.gz	GYDFLSRXJIUENY-UHFFFAOYSA-N	-1	0	252.270	0.240	20	30		CCEDRM
N#C[C@@H]1CC[C@@H](OC(=O)[C@H]2CCCN(CC(=O)[O-])C2=O)C1	ZINC001594605837	956173313	/nfs/dbraw/zinc/17/33/13/956173313.db2.gz	KOLYKRNOCWUIAN-MXWKQRLJSA-N	-1	0	294.307	0.545	20	30		CCEDRM
N#CC[C@H](OC(=O)[C@@H]1CCCN(CC(=O)[O-])C1=O)C1CC1	ZINC001594606115	956176975	/nfs/dbraw/zinc/17/69/75/956176975.db2.gz	OYNTYTQJNFMWSL-MNOVXSKESA-N	-1	0	294.307	0.545	20	30		CCEDRM
N#Cc1c2c(cn(CN3CC[C@H](C(=O)[O-])C3)c1=O)CCC2	ZINC001594613922	956228723	/nfs/dbraw/zinc/22/87/23/956228723.db2.gz	HLAGAJYFQULFCT-NSHDSACASA-N	-1	0	287.319	0.573	20	30		CCEDRM
N#Cc1cc(C(=O)Nc2cnn(CC(=O)[O-])c2)c[nH]1	ZINC001594616494	956240886	/nfs/dbraw/zinc/24/08/86/956240886.db2.gz	NCBJKGDENJMXPJ-UHFFFAOYSA-N	-1	0	259.225	0.420	20	30		CCEDRM
N#Cc1cc(N[C@H](Cc2ccncc2)C(=O)[O-])ncn1	ZINC001594616701	956242444	/nfs/dbraw/zinc/24/24/44/956242444.db2.gz	YEXUOASCOZMQNY-LLVKDONJSA-N	-1	0	269.264	0.851	20	30		CCEDRM
N#Cc1cc(C(=O)Nc2ccn(CC(=O)[O-])n2)ccn1	ZINC001594616748	956243976	/nfs/dbraw/zinc/24/39/76/956243976.db2.gz	RNQGPORSWARUDO-UHFFFAOYSA-N	-1	0	271.236	0.487	20	30		CCEDRM
N#Cc1ccc(C(=O)NC2(CC(=O)[O-])CCOCC2)[nH]1	ZINC001594617966	956257727	/nfs/dbraw/zinc/25/77/27/956257727.db2.gz	VRTDXKLRCVLXSF-UHFFFAOYSA-N	-1	0	277.280	0.640	20	30		CCEDRM
N#Cc1ccc(CNC(=O)CSCC(=O)[O-])nc1	ZINC001594620209	956274234	/nfs/dbraw/zinc/27/42/34/956274234.db2.gz	BPMFZPJKXWTMBZ-UHFFFAOYSA-N	-1	0	265.294	0.387	20	30		CCEDRM
N#Cc1ccc(CNC(=O)C2(C(=O)[O-])CCOCC2)nc1	ZINC001594620173	956275182	/nfs/dbraw/zinc/27/51/82/956275182.db2.gz	AEJJDMVGXCEVHF-UHFFFAOYSA-N	-1	0	289.291	0.451	20	30		CCEDRM
CO[C@H](COC(=O)[C@](C)(C#N)CC(=O)[O-])C1CC1	ZINC001593941291	956275484	/nfs/dbraw/zinc/27/54/84/956275484.db2.gz	DCDAFNKIUWSLTL-SKDRFNHKSA-N	-1	0	255.270	0.959	20	30		CCEDRM
CO[C@@H]1CC[C@H]1N(C)C(=O)[C@](C)(C#N)CC(=O)[O-]	ZINC001593949841	956367170	/nfs/dbraw/zinc/36/71/70/956367170.db2.gz	SPOOMNPKGYZQSP-LNLATYFQSA-N	-1	0	254.286	0.627	20	30		CCEDRM
N#Cc1cccc([N+](=O)[O-])c1CN1CCOC[C@@H]1C(=O)[O-]	ZINC001594628871	956337162	/nfs/dbraw/zinc/33/71/62/956337162.db2.gz	SYYWWEHVQPDGOU-GFCCVEGCSA-N	-1	0	291.263	0.752	20	30		CCEDRM
N#Cc1cn(CC(=O)[O-])c(=O)n(CC2=CCCCC2)c1=O	ZINC001594632814	956353580	/nfs/dbraw/zinc/35/35/80/956353580.db2.gz	DDCWZZDNXKTXLA-UHFFFAOYSA-N	-1	0	289.291	0.467	20	30		CCEDRM
C[C@@H](OC(=O)[C@H](C)C(=O)[O-])C(=O)N(C)CCC#N	ZINC001589158791	956386957	/nfs/dbraw/zinc/38/69/57/956386957.db2.gz	MMJHZAXZRFJQMI-HTQZYQBOSA-N	-1	0	256.258	0.011	20	30		CCEDRM
O=C([O-])c1ccc(/C=C/C(=O)N[C@@H]2CCN(O)C2=O)o1	ZINC001594670689	956616341	/nfs/dbraw/zinc/61/63/41/956616341.db2.gz	SCDPWXXBRVXLCR-BYDTYLDUSA-N	-1	0	280.236	0.097	20	30		CCEDRM
O=C([O-])[C@@H]1C[C@@H](O)CN1C(=O)C#Cc1ccccc1	ZINC000019481135	957113649	/nfs/dbraw/zinc/11/36/49/957113649.db2.gz	AIMUZHPFGLNQGV-NEPJUHHUSA-N	-1	0	259.261	0.085	20	30		CCEDRM
C#CCNS(=O)(=O)c1ccc(OCC(=O)[O-])cc1	ZINC000037420824	957283902	/nfs/dbraw/zinc/28/39/02/957283902.db2.gz	OOZLUZURDUNMAR-UHFFFAOYSA-N	-1	0	269.278	0.062	20	30		CCEDRM
Cc1cc(C(=O)[O-])cc(C(=O)OCC(=O)NCCC#N)c1	ZINC001594288906	957804570	/nfs/dbraw/zinc/80/45/70/957804570.db2.gz	FMDYLUINUMNTJF-UHFFFAOYSA-N	-1	0	290.275	0.880	20	30		CCEDRM
CO[C@H]1C[C@@H](CNC(=O)[C@@](C)(C#N)CC(=O)[O-])C1	ZINC001594045483	957915261	/nfs/dbraw/zinc/91/52/61/957915261.db2.gz	GIBJOVZEVHAOIW-VDDIYKPWSA-N	-1	0	254.286	0.532	20	30		CCEDRM
C#C[C@H](C)NC(=O)C(=O)Nc1cccc(C(=O)[O-])c1	ZINC001588368416	957964251	/nfs/dbraw/zinc/96/42/51/957964251.db2.gz	MHRBSXXPNUXDSY-QMMMGPOBSA-N	-1	0	260.249	0.461	20	30		CCEDRM
C#C[C@@H](CCC)NC(=O)[C@@H]1CCCN(CC(=O)[O-])C1=O	ZINC001588388769	957999520	/nfs/dbraw/zinc/99/95/20/957999520.db2.gz	ZTEPORWCIMTRBG-QWRGUYRKSA-N	-1	0	280.324	0.228	20	30		CCEDRM
C#CC[C@H](CCOC)NC(=O)NCCCCC(=O)[O-]	ZINC001588388942	958001636	/nfs/dbraw/zinc/00/16/36/958001636.db2.gz	IYFVLLNPXIQXSK-LLVKDONJSA-N	-1	0	270.329	0.969	20	30		CCEDRM
C#C[C@@H]1COCCN1C(=O)c1coc(/C=C\C(=O)[O-])c1	ZINC001588388820	958001656	/nfs/dbraw/zinc/00/16/56/958001656.db2.gz	HLFIWKOMOMYEEI-DLRQAJBASA-N	-1	0	275.260	0.852	20	30		CCEDRM
C#CC[C@@H](CCOC)NC(=O)[C@]1(C(=O)[O-])C[C@H]1C	ZINC001588388978	958002824	/nfs/dbraw/zinc/00/28/24/958002824.db2.gz	JIDMTKLVRUYUBD-NRUUGDAUSA-N	-1	0	253.298	0.642	20	30		CCEDRM
C#C[C@@H]1CCCN(C(=O)[C@H]2CCCN(CC(=O)[O-])C2=O)C1	ZINC001588389635	958010695	/nfs/dbraw/zinc/01/06/95/958010695.db2.gz	YRSYURJOMFKWHA-VXGBXAGGSA-N	-1	0	292.335	0.181	20	30		CCEDRM
C#CCCCNC(=O)N1C[C@H]2COC[C@@]2(C(=O)[O-])C1	ZINC001588390689	958011729	/nfs/dbraw/zinc/01/17/29/958011729.db2.gz	BLPWJUJPOGQZLA-GWCFXTLKSA-N	-1	0	266.297	0.142	20	30		CCEDRM
C#CCCCCNC(=O)C(=O)N1CCC[C@@H](CC(=O)[O-])C1	ZINC001588390810	958015979	/nfs/dbraw/zinc/01/59/79/958015979.db2.gz	KLTBDSJKMMVNLY-LBPRGKRZSA-N	-1	0	294.351	0.619	20	30		CCEDRM
C#CC[C@@H]1CCCN(C(=O)[C@H]2CC(C(=O)[O-])=NO2)C1	ZINC001588392297	958031906	/nfs/dbraw/zinc/03/19/06/958031906.db2.gz	XBGNNGVHUWAWNN-MWLCHTKSSA-N	-1	0	264.281	0.478	20	30		CCEDRM
C#CCN(CC#N)C(=O)c1cccc(OCC(=O)[O-])c1	ZINC001588395929	958045075	/nfs/dbraw/zinc/04/50/75/958045075.db2.gz	ROANJLSZOOXOBD-UHFFFAOYSA-N	-1	0	272.260	0.749	20	30		CCEDRM
C#CCN(CC(=O)[O-])C(=O)C(=O)Nc1cccc(C#N)c1	ZINC001588396297	958048624	/nfs/dbraw/zinc/04/86/24/958048624.db2.gz	XUZNHSMOFCTVAY-UHFFFAOYSA-N	-1	0	285.259	0.043	20	30		CCEDRM
C#CCCn1nnnc1N1CCC[C@@H](CC(=O)[O-])C1	ZINC001588396565	958051816	/nfs/dbraw/zinc/05/18/16/958051816.db2.gz	VETHCPQKRHXKSH-JTQLQIEISA-N	-1	0	263.301	0.388	20	30		CCEDRM
N#Cc1cccc(NCCn2cc(C(=O)[O-])nn2)n1	ZINC000089696749	958081825	/nfs/dbraw/zinc/08/18/25/958081825.db2.gz	DMUKJFKZZILZSF-UHFFFAOYSA-N	-1	0	258.241	0.355	20	30		CCEDRM
C#CCN(CC(=O)[O-])C(=O)COCc1ccccn1	ZINC001588406629	958094305	/nfs/dbraw/zinc/09/43/05/958094305.db2.gz	BMPPMXYPBXHLOG-UHFFFAOYSA-N	-1	0	262.265	0.145	20	30		CCEDRM
COc1cc(NC(=O)[C@@](C)(C#N)CC(=O)[O-])[nH]n1	ZINC001594062412	958101932	/nfs/dbraw/zinc/10/19/32/958101932.db2.gz	YLYGPSLQWKHFGM-SNVBAGLBSA-N	-1	0	252.230	0.361	20	30		CCEDRM
C#CCN(CC(=O)[O-])C(=O)NCCNc1ccc(C)cn1	ZINC001588408654	958114621	/nfs/dbraw/zinc/11/46/21/958114621.db2.gz	XHDCXELECAQNJY-UHFFFAOYSA-N	-1	0	290.323	0.531	20	30		CCEDRM
C#CCN(CC(=O)[O-])C(=O)N[C@H](CC)C1CCOCC1	ZINC001588409737	958130572	/nfs/dbraw/zinc/13/05/72/958130572.db2.gz	JAJZFXVQOLBZQB-GFCCVEGCSA-N	-1	0	282.340	0.921	20	30		CCEDRM
C#CCN(CC(=O)[O-])C(=O)Nc1ccc(-n2nccn2)cc1	ZINC001588410934	958141881	/nfs/dbraw/zinc/14/18/81/958141881.db2.gz	AIULYGVTFPMLNC-UHFFFAOYSA-N	-1	0	299.290	0.819	20	30		CCEDRM
C#CCN(CC(=O)[O-])C(=O)Nc1c(C)cnn1C	ZINC001588410932	958141980	/nfs/dbraw/zinc/14/19/80/958141980.db2.gz	AIJKRYGMBONNHS-UHFFFAOYSA-N	-1	0	250.258	0.280	20	30		CCEDRM
C#CCN(CC(=O)[O-])C(=O)Nc1c2c(nn1C)CCCC2	ZINC001588411368	958148971	/nfs/dbraw/zinc/14/89/71/958148971.db2.gz	YASUPKZXKOTYDM-UHFFFAOYSA-N	-1	0	290.323	0.851	20	30		CCEDRM
N#CCc1ccc(S(=O)(=O)N(CC(=O)[O-])C2CC2)cc1	ZINC000092130737	958158156	/nfs/dbraw/zinc/15/81/56/958158156.db2.gz	CPUHODDFCPAWNT-UHFFFAOYSA-N	-1	0	294.332	0.990	20	30		CCEDRM
C#CCN(CC(=O)[O-])C(=O)c1cc2c([nH]c1=O)CCOC2	ZINC001588415914	958159358	/nfs/dbraw/zinc/15/93/58/958159358.db2.gz	CULOCTYLHRBOTB-UHFFFAOYSA-N	-1	0	290.275	0.020	20	30		CCEDRM
C#CCN(CC(=O)[O-])C(=O)Nc1ncccc1OC	ZINC001588417270	958169065	/nfs/dbraw/zinc/16/90/65/958169065.db2.gz	FWQBDRANGWFRMO-UHFFFAOYSA-N	-1	0	263.253	0.642	20	30		CCEDRM
C#CCN(CC(=O)[O-])C(=O)c1c(F)ccnc1F	ZINC001588417376	958170849	/nfs/dbraw/zinc/17/08/49/958170849.db2.gz	LEXCJUMUHRVVNY-UHFFFAOYSA-N	-1	0	254.192	0.520	20	30		CCEDRM
C#CCN(CC(=O)[O-])C(=O)c1nc(C)n2ccccc12	ZINC001588418343	958177822	/nfs/dbraw/zinc/17/78/22/958177822.db2.gz	BJAOOCPRFWDUSW-UHFFFAOYSA-N	-1	0	271.276	0.803	20	30		CCEDRM
C#CCN(CC(=O)[O-])C(=O)c1cnc2nc(C)ccc2c1O	ZINC001588418626	958182438	/nfs/dbraw/zinc/18/24/38/958182438.db2.gz	OGZWKTABMYKVRH-UHFFFAOYSA-N	-1	0	299.286	0.804	20	30		CCEDRM
C#CCN(CC(=O)[O-])C(=O)c1cnn2c1C[C@@H](C)CC2	ZINC001588418917	958188531	/nfs/dbraw/zinc/18/85/31/958188531.db2.gz	WFZPTQOJOXUBGI-JTQLQIEISA-N	-1	0	275.308	0.625	20	30		CCEDRM
C#CCN(CC(=O)[O-])C(=O)c1ccsc1C(=O)OC	ZINC001588418905	958188660	/nfs/dbraw/zinc/18/86/60/958188660.db2.gz	JWXTXKGJFLOBAZ-UHFFFAOYSA-N	-1	0	281.289	0.695	20	30		CCEDRM
C#CCN(CC(=O)[O-])C(=O)c1cncnc1C1CC1	ZINC001588418974	958189632	/nfs/dbraw/zinc/18/96/32/958189632.db2.gz	YQUHFYABPQXFEH-UHFFFAOYSA-N	-1	0	259.265	0.514	20	30		CCEDRM
C#CCN(CC(=O)[O-])c1nnc([C@@H](C)O)n1CC1CC1	ZINC001588427109	958240062	/nfs/dbraw/zinc/24/00/62/958240062.db2.gz	MMDKVSGAYGOTDZ-SECBINFHSA-N	-1	0	278.312	0.266	20	30		CCEDRM
C#CCN(CC(=O)[O-])c1nnnn1C[C@@]1(C)CCCCO1	ZINC001588427262	958242615	/nfs/dbraw/zinc/24/26/15/958242615.db2.gz	RRIWKCGDKHEIHK-CYBMUJFWSA-N	-1	0	293.327	0.157	20	30		CCEDRM
C#CCN(CC(=O)[O-])c1nnc([C@H]2CCC[C@@H](O)C2)n1C	ZINC001588427298	958243011	/nfs/dbraw/zinc/24/30/11/958243011.db2.gz	SIRGPRHDZDUWLM-WDEREUQCSA-N	-1	0	292.339	0.358	20	30		CCEDRM
C#CCN1CCC[C@@H](NC(=O)[C@@H]2CC[C@H]2C(=O)[O-])C1	ZINC001588430766	958260520	/nfs/dbraw/zinc/26/05/20/958260520.db2.gz	OJMQVMJILCGCGF-IJLUTSLNSA-N	-1	0	264.325	0.311	20	30		CCEDRM
C#CCN1CCC[C@H](NC(=O)c2cnc(C(=O)[O-])cn2)C1	ZINC001588430836	958263224	/nfs/dbraw/zinc/26/32/24/958263224.db2.gz	PPOKAWSOZWFSIW-JTQLQIEISA-N	-1	0	288.307	0.002	20	30		CCEDRM
C#CCN(CCOc1ccc2c(c1)OCO2)CC(=O)[O-]	ZINC001588432448	958284379	/nfs/dbraw/zinc/28/43/79/958284379.db2.gz	VDRCDKZHVJEOPQ-UHFFFAOYSA-N	-1	0	277.276	0.814	20	30		CCEDRM
C#Cc1ccc(S(=O)(=O)N(C)CCC(=O)[O-])cc1	ZINC001588438922	958307878	/nfs/dbraw/zinc/30/78/78/958307878.db2.gz	JUKTVDQNTCDVGB-UHFFFAOYSA-N	-1	0	267.306	0.763	20	30		CCEDRM
C=C(C)Cn1nnnc1N1CC[C@@](COC)(C(=O)[O-])C1	ZINC001588444862	958368214	/nfs/dbraw/zinc/36/82/14/958368214.db2.gz	WHDMYDGFJUITJU-GFCCVEGCSA-N	-1	0	281.316	0.177	20	30		CCEDRM
C=CC(C)(C)CC(=O)N1CCO[C@@](COC)(C(=O)[O-])C1	ZINC001588450335	958390694	/nfs/dbraw/zinc/39/06/94/958390694.db2.gz	FOIDWKIDJRNREQ-AWEZNQCLSA-N	-1	0	285.340	0.917	20	30		CCEDRM
C=C[C@](C)(O)CC(=O)N1CC[C@](COC)(C(=O)[O-])C1	ZINC001588450990	958403343	/nfs/dbraw/zinc/40/33/43/958403343.db2.gz	JIWNFYIIRAXZBK-STQMWFEESA-N	-1	0	271.313	0.263	20	30		CCEDRM
C=CC[C@H](C)NC(=O)C(=O)Nc1cncc(C(=O)[O-])c1	ZINC001588453015	958430219	/nfs/dbraw/zinc/43/02/19/958430219.db2.gz	MWXPSMNYDNRFFU-QMMMGPOBSA-N	-1	0	277.280	0.799	20	30		CCEDRM
C=C[C@@H]1CCCCN1S(=O)(=O)N1CCC[C@H]1C(=O)[O-]	ZINC001588453416	958437891	/nfs/dbraw/zinc/43/78/91/958437891.db2.gz	YTWWMKBZBYGSPK-MNOVXSKESA-N	-1	0	288.369	0.821	20	30		CCEDRM
C=CCC[C@H](NC(=O)[C@H](C)C(=O)[O-])C(=O)OCC	ZINC001588457381	958449384	/nfs/dbraw/zinc/44/93/84/958449384.db2.gz	XHYTVBSKIKFDRH-IUCAKERBSA-N	-1	0	257.286	0.721	20	30		CCEDRM
C=CC[C@@H](NC(=O)[C@@H]1CC[C@H]1C(=O)[O-])C(=O)OCC	ZINC001588458339	958460680	/nfs/dbraw/zinc/46/06/80/958460680.db2.gz	SGAXBFQDZZXSQJ-OPRDCNLKSA-N	-1	0	269.297	0.721	20	30		CCEDRM
C=CCCNC(=O)N[C@@H]1CCCCN(CC(=O)[O-])C1=O	ZINC001588460147	958473197	/nfs/dbraw/zinc/47/31/97/958473197.db2.gz	XCEXTRNOUCNAPH-SNVBAGLBSA-N	-1	0	283.328	0.327	20	30		CCEDRM
C=CCCONC(=O)[C@H]1CO[C@@H](CCC(=O)[O-])C1	ZINC001588460388	958474797	/nfs/dbraw/zinc/47/47/97/958474797.db2.gz	DBKFFOMJVUQPDH-ZJUUUORDSA-N	-1	0	257.286	0.880	20	30		CCEDRM
C=CCN(C)C(=O)C(=O)N1CCC[C@@H](CC(=O)[O-])C1	ZINC001588463272	958483471	/nfs/dbraw/zinc/48/34/71/958483471.db2.gz	JKQOCPPXOWNFMY-JTQLQIEISA-N	-1	0	268.313	0.344	20	30		CCEDRM
C=CCN(CC=C)C(=O)C(=O)N1CC[C@@H](C(=O)[O-])C1	ZINC001588463523	958486855	/nfs/dbraw/zinc/48/68/55/958486855.db2.gz	WZAOYJBYODUGTQ-SNVBAGLBSA-N	-1	0	266.297	0.120	20	30		CCEDRM
C=CCNC(=O)C[S@](=O)Cc1ccc(C(=O)[O-])cc1	ZINC001588465564	958506252	/nfs/dbraw/zinc/50/62/52/958506252.db2.gz	SULVFSSDYODZEX-LJQANCHMSA-N	-1	0	281.333	0.936	20	30		CCEDRM
C=CCOc1ccc(CC(=O)NC[C@@](C)(O)C(=O)[O-])cc1	ZINC001588466239	958509029	/nfs/dbraw/zinc/50/90/29/958509029.db2.gz	BVCOCOKRYWYWQA-OAHLLOKOSA-N	-1	0	293.319	0.746	20	30		CCEDRM
C=CCn1c(CC(C)(C)O)nnc1N1CC[C@@H](C(=O)[O-])C1	ZINC001588473106	958550309	/nfs/dbraw/zinc/55/03/09/958550309.db2.gz	XUINRRCEMBOHEB-SNVBAGLBSA-N	-1	0	294.355	0.688	20	30		CCEDRM
C=C[C@@H]1OCC[C@H]1NC(=O)[C@@]1(C(=O)[O-])CCCO1	ZINC001588478411	958565651	/nfs/dbraw/zinc/56/56/51/958565651.db2.gz	LMLLUXLEQPUIOL-VDDIYKPWSA-N	-1	0	255.270	0.080	20	30		CCEDRM
C=C[C@@H]1OCC[C@H]1Cn1nnnc1N(C)C[C@@H](C)C(=O)[O-]	ZINC001588478862	958573835	/nfs/dbraw/zinc/57/38/35/958573835.db2.gz	YTJUAWMVGCWDIT-VWYCJHECSA-N	-1	0	295.343	0.421	20	30		CCEDRM
CC#CCn1nnnc1N1C[C@H](C(=O)[O-])C[C@H](C)C1	ZINC001588480254	958585276	/nfs/dbraw/zinc/58/52/76/958585276.db2.gz	MZRJQASITMESNU-VHSXEESVSA-N	-1	0	263.301	0.243	20	30		CCEDRM
C[C@](C#N)(CC(=O)[O-])C(=O)N1CCC[C@@H]2COC[C@@H]21	ZINC001573360238	958591859	/nfs/dbraw/zinc/59/18/59/958591859.db2.gz	QJBBAIJZZKWDTO-GBIKHYSHSA-N	-1	0	266.297	0.628	20	30		CCEDRM
C[C@@](C#N)(CC(=O)[O-])C(=O)N1CC[C@@H](c2cc(=O)[nH][nH]2)C1	ZINC001573360567	958593431	/nfs/dbraw/zinc/59/34/31/958593431.db2.gz	VXIXOWQMVNCZMN-OQPBUACISA-N	-1	0	292.295	0.436	20	30		CCEDRM
COc1cccc(C#CCOC(=O)[C@H](OC)C(=O)[O-])c1	ZINC001594120881	958596927	/nfs/dbraw/zinc/59/69/27/958596927.db2.gz	LTRIGHIQNINWHT-GFCCVEGCSA-N	-1	0	278.260	0.690	20	30		CCEDRM
CC(=NNCCC(=O)[O-])c1cc([N+](=O)[O-])ccc1N	ZINC001588485824	958606478	/nfs/dbraw/zinc/60/64/78/958606478.db2.gz	LGACDJQTBFMYQB-UHFFFAOYSA-N	-1	0	266.257	0.965	20	30		CCEDRM
C[C@@](C#N)(CC(=O)[O-])C(=O)N[C@@H]1C[C@H]2CC[C@@H]1O2	ZINC001573365804	958623395	/nfs/dbraw/zinc/62/33/95/958623395.db2.gz	XDCGNHANALZWST-XBWDGYHZSA-N	-1	0	252.270	0.427	20	30		CCEDRM
CC(=O)NCC[N@H+](Cc1ccc(C#N)cn1)[C@H](C)C(=O)[O-]	ZINC001588514784	958783491	/nfs/dbraw/zinc/78/34/91/958783491.db2.gz	CVJPIYCGEWMKOQ-SNVBAGLBSA-N	-1	0	290.323	0.364	20	30		CCEDRM
CC(=O)NCCN(Cc1ccncc1C#N)[C@@H](C)C(=O)[O-]	ZINC001588514971	958788479	/nfs/dbraw/zinc/78/84/79/958788479.db2.gz	QGMYJJMORGQNRC-JTQLQIEISA-N	-1	0	290.323	0.364	20	30		CCEDRM
C[C@](C#N)(CC(=O)[O-])C(=O)N1CCCc2n[nH]cc21	ZINC001588538502	958942932	/nfs/dbraw/zinc/94/29/32/958942932.db2.gz	JCQWWOIEYJANFO-GFCCVEGCSA-N	-1	0	262.269	0.693	20	30		CCEDRM
CC(C)(CCC#N)CNC(=O)c1cn(CC(=O)[O-])nn1	ZINC001573470150	958946124	/nfs/dbraw/zinc/94/61/24/958946124.db2.gz	RULXLIDOFNYEDT-UHFFFAOYSA-N	-1	0	279.300	0.422	20	30		CCEDRM
C[C@@](C#N)(CC(=O)[O-])C(=O)OC[C@@H]1CCC2(COC2)O1	ZINC001588540019	958956438	/nfs/dbraw/zinc/95/64/38/958956438.db2.gz	MKTPQONKSQMVQC-CABZTGNLSA-N	-1	0	283.280	0.482	20	30		CCEDRM
C[C@](C#N)(NC(=O)COC(=O)C1(C(=O)[O-])CCC1)C1CC1	ZINC001588542864	958974394	/nfs/dbraw/zinc/97/43/94/958974394.db2.gz	FAFNKYLXMAKLRW-CYBMUJFWSA-N	-1	0	294.307	0.593	20	30		CCEDRM
C[C@H](C#N)CN(C)S(=O)(=O)N([C@@H](C)C(=O)[O-])C1CC1	ZINC001588543583	958982098	/nfs/dbraw/zinc/98/20/98/958982098.db2.gz	OBFPPVULQSPLRL-BDAKNGLRSA-N	-1	0	289.357	0.260	20	30		CCEDRM
C[C@H](C#N)C(=O)N1C[C@@H](c2cnn(C)c2)C[C@H](C(=O)[O-])C1	ZINC001588543887	958985336	/nfs/dbraw/zinc/98/53/36/958985336.db2.gz	VDVJGBDEIKRHOE-VWYCJHECSA-N	-1	0	290.323	0.596	20	30		CCEDRM
C[C@H](C(=O)NC1(C(=O)[O-])CCCC1)n1cnc(C#N)n1	ZINC001588551309	959024255	/nfs/dbraw/zinc/02/42/55/959024255.db2.gz	DLZQJIXCMHFSJC-MRVPVSSYSA-N	-1	0	277.284	0.224	20	30		CCEDRM
C[C@](C#N)(CC(=O)[O-])C(=O)NCCC[C@H]1CCOC1	ZINC001588558419	959085042	/nfs/dbraw/zinc/08/50/42/959085042.db2.gz	TYJTXGPCAHCTOS-GXFFZTMASA-N	-1	0	268.313	0.924	20	30		CCEDRM
C[C@@H](C(=O)Nc1cncc(C(=O)[O-])c1)n1cnc(C#N)n1	ZINC001588559597	959091263	/nfs/dbraw/zinc/09/12/63/959091263.db2.gz	CVUKMAPLEWRLBP-ZETCQYMHSA-N	-1	0	286.251	0.443	20	30		CCEDRM
C#CC[C@@H](NS(=O)(=O)c1cccc(C(C)=O)c1)C(=O)[O-]	ZINC000159587605	959121318	/nfs/dbraw/zinc/12/13/18/959121318.db2.gz	OOHRCSKXHKHRHF-GFCCVEGCSA-N	-1	0	295.316	0.644	20	30		CCEDRM
C#CC[C@H](NS(=O)(=O)c1cccc(C(C)=O)c1)C(=O)[O-]	ZINC000159587461	959122178	/nfs/dbraw/zinc/12/21/78/959122178.db2.gz	OOHRCSKXHKHRHF-LBPRGKRZSA-N	-1	0	295.316	0.644	20	30		CCEDRM
CSC[C@@](C)(C#N)NC(=O)[C@@H]1CC[C@H]1C(=O)[O-]	ZINC001594185826	959123678	/nfs/dbraw/zinc/12/36/78/959123678.db2.gz	RDDBPTZYFNGQCB-SOCHQFKDSA-N	-1	0	256.327	0.859	20	30		CCEDRM
C[C@H](CNC(=O)Nc1cccc(CC#N)n1)C(=O)[O-]	ZINC001573551822	959235548	/nfs/dbraw/zinc/23/55/48/959235548.db2.gz	PLSGDUVLGANOMT-MRVPVSSYSA-N	-1	0	262.269	0.990	20	30		CCEDRM
N#C[C@@H]1CN(c2nc(C(=O)[O-])ccc2[N+](=O)[O-])CCO1	ZINC000166805938	959322419	/nfs/dbraw/zinc/32/24/19/959322419.db2.gz	JLDFCYFPYBCYOG-SSDOTTSWSA-N	-1	0	278.224	0.417	20	30		CCEDRM
C[C@@H]1C[C@@]1(C(=O)[O-])C(=O)NCC#C[C@H]1CCCCO1	ZINC001594225708	959423921	/nfs/dbraw/zinc/42/39/21/959423921.db2.gz	PCOXBZXZRJNNAS-GYSYKLTISA-N	-1	0	265.309	0.786	20	30		CCEDRM
C[C@](C#N)(CC(=O)[O-])C(=O)N1CC(C)(C)O[C@@H]2COC[C@H]21	ZINC001573675750	959723469	/nfs/dbraw/zinc/72/34/69/959723469.db2.gz	OAUSOMNPAJAQTD-GPCCPHFNSA-N	-1	0	296.323	0.396	20	30		CCEDRM
C#CCSCCNC(=O)N1CC[C@@H](C(=O)[O-])[C@H]1C	ZINC000231958699	960236885	/nfs/dbraw/zinc/23/68/85/960236885.db2.gz	JQGUFVCHQCUZAC-NXEZZACHSA-N	-1	0	270.354	0.857	20	30		CCEDRM
CC(C)N(CC(=O)[O-])S(=O)(=O)c1cccnc1C#N	ZINC000232619975	960287665	/nfs/dbraw/zinc/28/76/65/960287665.db2.gz	FNCRPPYRXULMJF-UHFFFAOYSA-N	-1	0	283.309	0.437	20	30		CCEDRM
N#Cc1ccnc(C(=O)N[C@H]2CCC[C@H]2C(=O)[O-])c1	ZINC001574248372	960496477	/nfs/dbraw/zinc/49/64/77/960496477.db2.gz	INKAWMLKBRXZEB-ZJUUUORDSA-N	-1	0	259.265	0.936	20	30		CCEDRM
Cc1cc(C(=O)N2CCC[C@H](O)[C@@H]2C(=O)[O-])ncc1C#N	ZINC001571034904	960514895	/nfs/dbraw/zinc/51/48/95/960514895.db2.gz	ADWUZEUBHXNMCU-NWDGAFQWSA-N	-1	0	289.291	0.312	20	30		CCEDRM
N#Cc1ccc(CC(=O)NC[C@H]2CCO[C@H]2C(=O)[O-])cc1	ZINC001571034877	960515269	/nfs/dbraw/zinc/51/52/69/960515269.db2.gz	ZEMKIEKRBRWSNE-TZMCWYRMSA-N	-1	0	288.303	0.707	20	30		CCEDRM
N#CC[C@]1(O)CCN(C(=O)Nc2cc(C(=O)[O-])ccn2)C1	ZINC001571037901	960547186	/nfs/dbraw/zinc/54/71/86/960547186.db2.gz	DLASYGHWWZMJDJ-ZDUSSCGKSA-N	-1	0	290.279	0.662	20	30		CCEDRM
N#CC[C@@]1(O)CCN(C(=O)Nc2cc(C(=O)[O-])ccn2)C1	ZINC001571037900	960547894	/nfs/dbraw/zinc/54/78/94/960547894.db2.gz	DLASYGHWWZMJDJ-CYBMUJFWSA-N	-1	0	290.279	0.662	20	30		CCEDRM
Cc1n[nH]cc1CNC(=O)N1CCC(C#N)(C(=O)[O-])CC1	ZINC001571040681	960566991	/nfs/dbraw/zinc/56/69/91/960566991.db2.gz	MLVWXMPLUGJTOE-UHFFFAOYSA-N	-1	0	291.311	0.618	20	30		CCEDRM
C[C@](O)(CNC(=O)c1cccc(SCC#N)c1)C(=O)[O-]	ZINC001571050543	960667875	/nfs/dbraw/zinc/66/78/75/960667875.db2.gz	FWLKAHXRVCAWDM-ZDUSSCGKSA-N	-1	0	294.332	0.868	20	30		CCEDRM
CN(CCC#N)C(=O)[C@H]1CO[C@H](CCC(=O)[O-])C1	ZINC001604126639	972532418	/nfs/dbraw/zinc/53/24/18/972532418.db2.gz	FZEDXMHVIIQFNG-NXEZZACHSA-N	-1	0	254.286	0.628	20	30		CCEDRM
N#Cc1ccsc1C(=O)N[C@H](CC1OCCO1)C(=O)[O-]	ZINC001571057526	960743298	/nfs/dbraw/zinc/74/32/98/960743298.db2.gz	GDNFDUOHTBDWBA-MRVPVSSYSA-N	-1	0	296.304	0.566	20	30		CCEDRM
Cc1ccc(C#N)cc1C(=O)Nc1ncn(CC(=O)[O-])n1	ZINC001574351179	960986692	/nfs/dbraw/zinc/98/66/92/960986692.db2.gz	CVSDZDSKBPMBNU-UHFFFAOYSA-N	-1	0	285.263	0.795	20	30		CCEDRM
N#Cc1ccc(C(=O)N2C[C@H]3COC[C@@]3(C(=O)[O-])C2)cc1	ZINC001574486474	961685011	/nfs/dbraw/zinc/68/50/11/961685011.db2.gz	YGAPQLCDJDEMQJ-WFASDCNBSA-N	-1	0	286.287	0.731	20	30		CCEDRM
N#Cc1ccc(N[C@H]2CCCCN(CC(=O)[O-])C2=O)nn1	ZINC001574487790	961690517	/nfs/dbraw/zinc/69/05/17/961690517.db2.gz	HRCWQQWAKJVTPS-JTQLQIEISA-N	-1	0	289.295	0.226	20	30		CCEDRM
N#Cc1ccc(NCC(=O)N2CCC(C(=O)[O-])CC2)nc1	ZINC001574489080	961701197	/nfs/dbraw/zinc/70/11/97/961701197.db2.gz	YLNATDCESWVNNH-UHFFFAOYSA-N	-1	0	288.307	0.688	20	30		CCEDRM
N#Cc1cccc(C(=O)N[C@H]2CCC[C@H]2C(=O)[O-])n1	ZINC001574490259	961712430	/nfs/dbraw/zinc/71/24/30/961712430.db2.gz	YTMUZVZDCKYSOB-ZJUUUORDSA-N	-1	0	259.265	0.936	20	30		CCEDRM
CC(C)C[C@H](CNC(=O)NCC#CCO)C(=O)[O-]	ZINC001588853002	961954248	/nfs/dbraw/zinc/95/42/48/961954248.db2.gz	TWODOZSMEIDRRZ-SNVBAGLBSA-N	-1	0	256.302	0.028	20	30		CCEDRM
CC(C)CCCn1c(=O)c(C#N)cn(CC(=O)[O-])c1=O	ZINC001588867481	962026425	/nfs/dbraw/zinc/02/64/25/962026425.db2.gz	MOBFDCFDYDITTO-UHFFFAOYSA-N	-1	0	279.296	0.402	20	30		CCEDRM
C#C[C@@H](CO)NC(=O)c1ccc(C(=O)[O-])cc1F	ZINC001573301857	962638519	/nfs/dbraw/zinc/63/85/19/962638519.db2.gz	GQQHCQZSAGLVDV-QMMMGPOBSA-N	-1	0	251.213	0.248	20	30		CCEDRM
C#C[C@H](NC(=O)c1cc(C(=O)[O-])on1)[C@@H]1CCCO1	ZINC001573302538	962655315	/nfs/dbraw/zinc/65/53/15/962655315.db2.gz	NYKZMJOTLKMOTR-CBAPKCEASA-N	-1	0	264.237	0.283	20	30		CCEDRM
C#CCCCC(=O)N(C)C[C@H]1CCN1C(=O)CNC(=O)[O-]	ZINC001573303440	962676971	/nfs/dbraw/zinc/67/69/71/962676971.db2.gz	NSYRPGAQXDQSGR-LLVKDONJSA-N	-1	0	295.339	0.117	20	30		CCEDRM
C#Cc1cncc(C(=O)N[C@@H](Cc2ccncc2)C(=O)[O-])c1	ZINC001573313663	962735133	/nfs/dbraw/zinc/73/51/33/962735133.db2.gz	OJBLCJPYWRSKDW-AWEZNQCLSA-N	-1	0	295.298	0.884	20	30		CCEDRM
C#CC[C@@H](NS(=O)(=O)c1cc(C)oc1C)C(=O)[O-]	ZINC000275020214	962813440	/nfs/dbraw/zinc/81/34/40/962813440.db2.gz	OPAGFDGFXCWZCJ-SECBINFHSA-N	-1	0	271.294	0.651	20	30		CCEDRM
C=C(CCC(=O)[O-])C(=O)NCCC(=O)N1CCCCC1	ZINC001573332881	962845033	/nfs/dbraw/zinc/84/50/33/962845033.db2.gz	QLNJKLPPLPSPMD-UHFFFAOYSA-N	-1	0	282.340	0.926	20	30		CCEDRM
C=C(CCC(=O)[O-])C(=O)NCC(C)(C)[C@]1(O)CCOC1	ZINC001573333337	962856002	/nfs/dbraw/zinc/85/60/02/962856002.db2.gz	YSGUMXPZSQUBSW-AWEZNQCLSA-N	-1	0	285.340	0.701	20	30		CCEDRM
C=C(Cl)CN1CC[C@](C)(NC(=O)CNC(=O)[O-])C1	ZINC001573338720	962879905	/nfs/dbraw/zinc/87/99/05/962879905.db2.gz	HEMUXRDIUCCXGM-NSHDSACASA-N	-1	0	275.736	0.587	20	30		CCEDRM
C=C(Cl)CN1CC(N(C)C(=O)[C@H]2C[C@@H]2C(=O)[O-])C1	ZINC001573339359	962889719	/nfs/dbraw/zinc/88/97/19/962889719.db2.gz	RCPFMADXEBLMCE-UWVGGRQHSA-N	-1	0	272.732	0.602	20	30		CCEDRM
C=C(CCC(=O)OC)C(=O)N1CC[C@@H](C(=O)[O-])[C@H]1C	ZINC001573339447	962891558	/nfs/dbraw/zinc/89/15/58/962891558.db2.gz	SRBRZVOFBUKIPW-NXEZZACHSA-N	-1	0	269.297	0.817	20	30		CCEDRM
C=C[C@@H](O)C(=O)N[C@H](C(=O)[O-])c1cc(F)ccc1F	ZINC001573346470	962939056	/nfs/dbraw/zinc/93/90/56/962939056.db2.gz	ANJIGHBLIAOENU-ZJUUUORDSA-N	-1	0	271.219	0.754	20	30		CCEDRM
C=CCCC(=O)N1CC[C@@H](CN(C)C(=O)CNC(=O)[O-])C1	ZINC001573352858	962993677	/nfs/dbraw/zinc/99/36/77/962993677.db2.gz	LLYDTMDSAPPCJJ-NSHDSACASA-N	-1	0	297.355	0.527	20	30		CCEDRM
C#C[C@@H](NS(=O)(=O)c1ccc(C(=O)[O-])o1)C(C)C	ZINC000302255658	963067743	/nfs/dbraw/zinc/06/77/43/963067743.db2.gz	AXFDBGKDUYABQV-MRVPVSSYSA-N	-1	0	271.294	0.914	20	30		CCEDRM
N#Cc1cc(C(=O)[O-])cn(CC[C@@H]2CCOC2)c1=O	ZINC001570982263	963096441	/nfs/dbraw/zinc/09/64/41/963096441.db2.gz	PXHUTRDWEHWIGW-SECBINFHSA-N	-1	0	262.265	0.845	20	30		CCEDRM
CC(C)(C(=O)[O-])n1ccc(NC(=O)[C@@H]2C[C@@H]2C#N)n1	ZINC001573382831	963116124	/nfs/dbraw/zinc/11/61/24/963116124.db2.gz	FJFOODRVQYEIIH-HTQZYQBOSA-N	-1	0	262.269	0.801	20	30		CCEDRM
N#C[C@H]1C[C@H]1C(=O)N[C@H](C[C@H]1CCCOC1)C(=O)[O-]	ZINC001570986844	963121082	/nfs/dbraw/zinc/12/10/82/963121082.db2.gz	DELMAQRDWZDKNQ-GWOFURMSSA-N	-1	0	266.297	0.532	20	30		CCEDRM
C=C(Cl)CN1CCN(C(=O)[C@H]2C[C@@H]2C(=O)[O-])CC1	ZINC001570999601	963209543	/nfs/dbraw/zinc/20/95/43/963209543.db2.gz	JNYPFTQCYPDHOM-UWVGGRQHSA-N	-1	0	272.732	0.604	20	30		CCEDRM
C[C@H](CS(=O)(=O)Nc1cccc(CC#N)n1)C(=O)[O-]	ZINC001571019973	963339533	/nfs/dbraw/zinc/33/95/33/963339533.db2.gz	PQYYZVHTQDSONH-MRVPVSSYSA-N	-1	0	283.309	0.610	20	30		CCEDRM
C=CCOCCNC(=O)N1CC[C@H](C(=O)[O-])[C@H]1C	ZINC000310674730	963423812	/nfs/dbraw/zinc/42/38/12/963423812.db2.gz	PBRJTFLWTZLQOY-ZJUUUORDSA-N	-1	0	256.302	0.694	20	30		CCEDRM
C=CCC(C)(C)CNC(=O)Cn1cc(C(=O)[O-])nn1	ZINC000312057599	963531604	/nfs/dbraw/zinc/53/16/04/963531604.db2.gz	AZZKJFKHLFVEJO-UHFFFAOYSA-N	-1	0	266.301	0.695	20	30		CCEDRM
C#CCCCC(=O)N1C[C@@H](C(=O)[O-])CC[C@H]1C(=O)OC	ZINC001588435345	964021412	/nfs/dbraw/zinc/02/14/12/964021412.db2.gz	MKZJKDAKMFHXNU-QWRGUYRKSA-N	-1	0	281.308	0.655	20	30		CCEDRM
C#CCC[C@@H](O)CNC(=O)c1cccc(C(=O)[O-])c1	ZINC001588435436	964022723	/nfs/dbraw/zinc/02/27/23/964022723.db2.gz	QEIXGIATWANTML-GFCCVEGCSA-N	-1	0	261.277	0.889	20	30		CCEDRM
C#CCCCC(=O)N1C[C@H](C(=O)[O-])[C@@H](C(=O)OC)C1	ZINC001588435675	964025617	/nfs/dbraw/zinc/02/56/17/964025617.db2.gz	WYVGHSHJWKDTND-UWVGGRQHSA-N	-1	0	267.281	0.122	20	30		CCEDRM
C#CCCCCC(=O)N[C@@H](CC1OCCO1)C(=O)[O-]	ZINC001588440220	964035104	/nfs/dbraw/zinc/03/51/04/964035104.db2.gz	OGMUQLBOKHIOLN-JTQLQIEISA-N	-1	0	269.297	0.512	20	30		CCEDRM
C#CCCCCNC(=O)Nc1ccn(CC(=O)[O-])n1	ZINC001588441225	964049093	/nfs/dbraw/zinc/04/90/93/964049093.db2.gz	BXCUHDHUBNEZTC-UHFFFAOYSA-N	-1	0	264.285	0.893	20	30		CCEDRM
C=C(C)C[C@@H](NC(C)=O)C(=O)N[C@H]1C[C@@H](C(=O)[O-])C1	ZINC001588441282	964051082	/nfs/dbraw/zinc/05/10/82/964051082.db2.gz	IFTFPPAOYONKQZ-OUAUKWLOSA-N	-1	0	268.313	0.437	20	30		CCEDRM
C=C(C)C[C@@H](NC(C)=O)C(=O)N[C@@H](C)CC(=O)[O-]	ZINC001588441500	964052898	/nfs/dbraw/zinc/05/28/98/964052898.db2.gz	JCMCJRYWFQNQCL-WCBMZHEXSA-N	-1	0	256.302	0.437	20	30		CCEDRM
C=C(C)Cn1c(COC)nnc1N1CC[C@H](C(=O)[O-])C1	ZINC001588443642	964062636	/nfs/dbraw/zinc/06/26/36/964062636.db2.gz	VMIFYWPWTQPMQJ-JTQLQIEISA-N	-1	0	280.328	0.912	20	30		CCEDRM
C#CCCCNC(=O)[C@H](CC(=O)[O-])NC(=O)OC(C)(C)C	ZINC001588446628	964076447	/nfs/dbraw/zinc/07/64/47/964076447.db2.gz	TVZCJTJEGBFBGF-JTQLQIEISA-N	-1	0	298.339	0.884	20	30		CCEDRM
C#CCCCNC(=O)N1CCSC[C@H](C(=O)[O-])C1	ZINC001588446713	964078048	/nfs/dbraw/zinc/07/80/48/964078048.db2.gz	WQDLRNTZMAPYDN-SNVBAGLBSA-N	-1	0	270.354	0.859	20	30		CCEDRM
C#CCN(CC(=O)[O-])C(=O)N1CCC(F)(F)CC1	ZINC000405109843	968330128	/nfs/dbraw/zinc/33/01/28/968330128.db2.gz	AWSVNLZQMYHRGD-UHFFFAOYSA-N	-1	0	260.240	0.857	20	30		CCEDRM
C#Cc1ccc(C(=O)Nc2cc(C(=O)[O-])n[nH]2)nc1	ZINC001573464024	969813723	/nfs/dbraw/zinc/81/37/23/969813723.db2.gz	YYMFAMPSQRHSEQ-UHFFFAOYSA-N	-1	0	256.221	0.737	20	30		CCEDRM
C[C@@H](NC(=O)[C@@H]1CC(C(=O)[O-])=NO1)c1cccc(C#N)c1	ZINC001573611199	969822470	/nfs/dbraw/zinc/82/24/70/969822470.db2.gz	IWGKQXDCDRIFBV-PELKAZGASA-N	-1	0	287.275	0.965	20	30		CCEDRM
C=CC[C@H](CO)NS(=O)(=O)c1scnc1C(=O)[O-]	ZINC000320135087	970619933	/nfs/dbraw/zinc/61/99/33/970619933.db2.gz	KYPQEHUIERUVQJ-ZCFIWIBFSA-N	-1	0	292.338	0.057	20	30		CCEDRM
CC[C@H](OC(=O)[C@H](C)n1cnc(C#N)n1)C(=O)[O-]	ZINC001610152488	970687654	/nfs/dbraw/zinc/68/76/54/970687654.db2.gz	YTKVIKCEXPBEEJ-BQBZGAKWSA-N	-1	0	252.230	0.117	20	30		CCEDRM
Cc1cc(C#N)cnc1C(=O)N1CC[C@@H](C(=O)[O-])C1	ZINC001600076184	970755091	/nfs/dbraw/zinc/75/50/91/970755091.db2.gz	NEZFPAURFBQFMR-SNVBAGLBSA-N	-1	0	259.265	0.808	20	30		CCEDRM
C=CC[C@H](CC)NS(=O)(=O)c1cnn(CC(=O)[O-])c1	ZINC000393783943	972639964	/nfs/dbraw/zinc/63/99/64/972639964.db2.gz	YESPHLWAIBKXBA-VIFPVBQESA-N	-1	0	287.341	0.601	20	30		CCEDRM
CC1(C)C[C@]1(C(=O)[O-])C(=O)NC1CCN(CC#N)CC1	ZINC001603322974	972653928	/nfs/dbraw/zinc/65/39/28/972653928.db2.gz	RXYSIVFHSVBMTR-CQSZACIVSA-N	-1	0	279.340	0.591	20	30		CCEDRM
C[C@H]1C[C@@H](C(=O)[O-])CN(C(=O)C(=O)NCCCCC#N)C1	ZINC001603355908	972807585	/nfs/dbraw/zinc/80/75/85/972807585.db2.gz	YCPFTTBJQLKITC-WDEREUQCSA-N	-1	0	295.339	0.366	20	30		CCEDRM
CO[C@@](C)(C(=O)[O-])C(=O)OCC(=O)c1ccc(C#N)cc1	ZINC001604463451	973322667	/nfs/dbraw/zinc/32/26/67/973322667.db2.gz	WVSVHEIBNMOQMV-AWEZNQCLSA-N	-1	0	291.259	0.774	20	30		CCEDRM
COCC(C)(C)CNC(=O)[C@@](C)(C#N)CC(=O)[O-]	ZINC001604507885	973443888	/nfs/dbraw/zinc/44/38/88/973443888.db2.gz	VZYBWKJQXYXKDL-GFCCVEGCSA-N	-1	0	256.302	0.780	20	30		CCEDRM
N#Cc1cc(F)ccc1CN1C[C@H](C(=O)[O-])C[C@H](O)C1	ZINC000401924120	973537998	/nfs/dbraw/zinc/53/79/98/973537998.db2.gz	QAGRYAAHHCWQCS-YPMHNXCESA-N	-1	0	278.283	0.965	20	30		CCEDRM
COC[C@@]1(C(=O)[O-])CN(C(=O)CCCC#N)CCO1	ZINC001604550261	973553373	/nfs/dbraw/zinc/55/33/73/973553373.db2.gz	GPHTXEDCXMFCRK-GFCCVEGCSA-N	-1	0	270.285	0.009	20	30		CCEDRM
Cc1cc(C#N)cc(N2C[C@@H](O)C[C@H](C(=O)[O-])C2)n1	ZINC000401966378	973572042	/nfs/dbraw/zinc/57/20/42/973572042.db2.gz	FQBPUABKKVPWAP-QWRGUYRKSA-N	-1	0	261.281	0.534	20	30		CCEDRM
N#Cc1c(F)cccc1N1C[C@@H](O)C[C@H](C(=O)[O-])C1	ZINC000401971139	973577447	/nfs/dbraw/zinc/57/74/47/973577447.db2.gz	MPXHCKMYDXYPHW-IUCAKERBSA-N	-1	0	264.256	0.969	20	30		CCEDRM
Cn1cc(C#N)c(=O)n(Cc2cccc(C(=O)[O-])c2)c1=O	ZINC001605477377	973594031	/nfs/dbraw/zinc/59/40/31/973594031.db2.gz	SYJLVERGYPATSK-UHFFFAOYSA-N	-1	0	285.259	0.165	20	30		CCEDRM
COCCN(CCC(=O)[O-])C(=O)C1(C#N)CCC1	ZINC001604597890	973694682	/nfs/dbraw/zinc/69/46/82/973694682.db2.gz	PLOHOBBNEKJAQM-UHFFFAOYSA-N	-1	0	254.286	0.630	20	30		CCEDRM
COCCN(CCF)C(=O)[C@@](C)(C#N)CC(=O)[O-]	ZINC001604610217	973718084	/nfs/dbraw/zinc/71/80/84/973718084.db2.gz	FMHGBCKRFXOXQN-LLVKDONJSA-N	-1	0	260.265	0.435	20	30		CCEDRM
O=C([O-])[C@@H]1CCCN1C(=O)c1cccc(C#CCO)c1	ZINC001606382387	973831332	/nfs/dbraw/zinc/83/13/32/973831332.db2.gz	CLQYGYDUPMFTHZ-ZDUSSCGKSA-N	-1	0	273.288	0.720	20	30		CCEDRM
N#C[C@H](NC(=O)[C@@H]1CO[C@H](CCC(=O)[O-])C1)C1CC1	ZINC001605577320	973857167	/nfs/dbraw/zinc/85/71/67/973857167.db2.gz	ZMKVGRDEHCPRIF-AXFHLTTASA-N	-1	0	266.297	0.675	20	30		CCEDRM
N#C[C@H]1COCCN1C(=O)/C=C\c1ccc(C(=O)[O-])o1	ZINC001605581745	973860864	/nfs/dbraw/zinc/86/08/64/973860864.db2.gz	KOSRFUYUCMSLGK-MDHMXLOGSA-N	-1	0	276.248	0.742	20	30		CCEDRM
N#CC[C@H]1CCCN([C@@H]2CCN(CC(=O)[O-])C2=O)C1	ZINC001605582034	973864488	/nfs/dbraw/zinc/86/44/88/973864488.db2.gz	SBRZSUBVJISWAA-GHMZBOCLSA-N	-1	0	265.313	0.298	20	30		CCEDRM
N#Cc1ccccc1OCc1cn(CC(=O)[O-])nn1	ZINC001605619818	973939468	/nfs/dbraw/zinc/93/94/68/973939468.db2.gz	IUAYXMSGGMYWGK-UHFFFAOYSA-N	-1	0	258.237	0.813	20	30		CCEDRM
CCOc1ccc(C#N)cc1NC(=O)[C@H](OC)C(=O)[O-]	ZINC001603862762	974369171	/nfs/dbraw/zinc/36/91/71/974369171.db2.gz	ZYQCOGKDPURGOS-NSHDSACASA-N	-1	0	278.264	0.995	20	30		CCEDRM
C[C@@H](CCN=Nc1ccccc1S(N)(=O)=O)C(=O)[O-]	ZINC001592470676	978224373	/nfs/dbraw/zinc/22/43/73/978224373.db2.gz	KJLSDPSLTLXREI-QMMMGPOBSA-N	-1	0	285.325	0.843	20	30		CCEDRM
C[C@@H](CCO)NS(=O)(=O)c1ccc(C#N)cc1C(=O)[O-]	ZINC001592529030	978383246	/nfs/dbraw/zinc/38/32/46/978383246.db2.gz	JNVMCBKRFDKHLD-QMMMGPOBSA-N	-1	0	298.320	0.306	20	30		CCEDRM
CCC[C@@H](O)CC(=O)N1CCC(C#N)(C(=O)[O-])CC1	ZINC001595609411	981621217	/nfs/dbraw/zinc/62/12/17/981621217.db2.gz	VYAWNGATUAGIHT-SNVBAGLBSA-N	-1	0	268.313	0.754	20	30		CCEDRM
CC[C@H](C(=O)[O-])C(=O)N1CCN(C2CC2)[C@H](C#N)C1	ZINC001594745934	981633657	/nfs/dbraw/zinc/63/36/57/981633657.db2.gz	YZRBDSWKWDFVGF-MNOVXSKESA-N	-1	0	265.313	0.296	20	30		CCEDRM
CC[C@@](C)(C#N)C(=O)Nc1cc(C(=O)[O-])nn1C	ZINC001594778419	981776283	/nfs/dbraw/zinc/77/62/83/981776283.db2.gz	RBVKBLBJEDVAAS-NSHDSACASA-N	-1	0	250.258	0.997	20	30		CCEDRM
CC[C@H](C)[C@H](NC(=O)CN(C)C[C@H](C)C#N)C(=O)[O-]	ZINC001594887510	982272996	/nfs/dbraw/zinc/27/29/96/982272996.db2.gz	QQYLJBAKXSAEAN-SCVCMEIPSA-N	-1	0	269.345	0.693	20	30		CCEDRM
CC[C@H](C)[C@@H](NC(=O)Cn1cc(C#N)cn1)C(=O)[O-]	ZINC001594908182	982397511	/nfs/dbraw/zinc/39/75/11/982397511.db2.gz	DNJLQINVEZDYJO-GZMMTYOYSA-N	-1	0	264.285	0.370	20	30		CCEDRM
CC[C@@H](C)N(CC(=O)[O-])C(=O)[C@H](C)n1cnc(C#N)n1	ZINC001594967792	982730356	/nfs/dbraw/zinc/73/03/56/982730356.db2.gz	BPQIOHFMRBPTEC-BDAKNGLRSA-N	-1	0	279.300	0.422	20	30		CCEDRM
C#CCN(C(C)C)S(=O)(=O)c1cc(C(=O)[O-])[nH]n1	ZINC001573302067	983039722	/nfs/dbraw/zinc/03/97/22/983039722.db2.gz	PDGPRRGDOWXJEL-UHFFFAOYSA-N	-1	0	271.298	0.140	20	30		CCEDRM
C[C@H](C#N)CNC(=O)[C@H](CC(=O)[O-])NC(=O)OC(C)(C)C	ZINC001573590981	983067038	/nfs/dbraw/zinc/06/70/38/983067038.db2.gz	PRTUWUOJZMINJV-BDAKNGLRSA-N	-1	0	299.327	0.630	20	30		CCEDRM
C#C[C@H](CC)NC(=O)N[C@H]1C[C@@H]2C[C@]2(C(=O)[O-])C1	ZINC001588369213	983311728	/nfs/dbraw/zinc/31/17/28/983311728.db2.gz	FVAXFXXIVYOJFS-DNJQJEMRSA-N	-1	0	250.298	0.951	20	30		CCEDRM
C#C[C@@H](CC)NS(=O)(=O)c1ccc(C#N)cc1C(=O)[O-]	ZINC001588369233	983312554	/nfs/dbraw/zinc/31/25/54/983312554.db2.gz	GQXQTYAXNQLBBU-JTQLQIEISA-N	-1	0	292.316	0.947	20	30		CCEDRM
C#C[C@@H](CC)NC(=O)C(=O)Nc1ccc(CC(=O)[O-])cc1	ZINC001588369306	983313031	/nfs/dbraw/zinc/31/30/31/983313031.db2.gz	IAZSEIRCQIDAOO-NSHDSACASA-N	-1	0	288.303	0.780	20	30		CCEDRM
C#C[C@@H](CO)NC(=O)c1[nH]c(C)c(C(=O)[O-])c1C	ZINC001588370764	983322116	/nfs/dbraw/zinc/32/21/16/983322116.db2.gz	MXFCGCGYBAYJAH-QMMMGPOBSA-N	-1	0	250.254	0.054	20	30		CCEDRM
C#C[C@H](CO)NC(=O)c1ccc(C(=O)[O-])c(F)c1	ZINC001588370841	983322603	/nfs/dbraw/zinc/32/26/03/983322603.db2.gz	OMPNUUUIMPFMAN-MRVPVSSYSA-N	-1	0	251.213	0.248	20	30		CCEDRM
C#C[C@@H](NC(=O)N1CCC([C@@H](O)C(=O)[O-])CC1)C(C)C	ZINC001588371922	983325980	/nfs/dbraw/zinc/32/59/80/983325980.db2.gz	AAFMCEUHYUETHG-VXGBXAGGSA-N	-1	0	282.340	0.511	20	30		CCEDRM
C#C[C@H](NC(=O)N1C[C@H](C)[C@@](C)(C(=O)[O-])C1)[C@@H]1CCCO1	ZINC001588372346	983329877	/nfs/dbraw/zinc/32/98/77/983329877.db2.gz	ILPRTWOWRRWDRP-ASHKBJFXSA-N	-1	0	294.351	0.919	20	30		CCEDRM
C#CC1(O)CCN(C(=O)Nc2cc(C(=O)[O-])nn2C)CC1	ZINC001588379273	983362899	/nfs/dbraw/zinc/36/28/99/983362899.db2.gz	AXRQMZCHCUVYNP-UHFFFAOYSA-N	-1	0	292.295	0.110	20	30		CCEDRM
C#CC1(O)CN(C(=O)c2ccc(C(=O)[O-])s2)C1	ZINC001588379364	983364363	/nfs/dbraw/zinc/36/43/63/983364363.db2.gz	GEFWAPDOSBHYAO-UHFFFAOYSA-N	-1	0	251.263	0.266	20	30		CCEDRM
C#C[C@H]1CCCN(C(=O)Nc2nn(C)cc2C(=O)[O-])C1	ZINC001588382540	983372473	/nfs/dbraw/zinc/37/24/73/983372473.db2.gz	BSEJSCOGGCCQNZ-VIFPVBQESA-N	-1	0	276.296	0.995	20	30		CCEDRM
C#CC1CCN(Cn2nc(C(=O)[O-])ccc2=O)CC1	ZINC001588382722	983374191	/nfs/dbraw/zinc/37/41/91/983374191.db2.gz	GIGZOYQHULCFIC-UHFFFAOYSA-N	-1	0	261.281	0.244	20	30		CCEDRM
C#CC1(O)CN(Cc2ccc(C3(C(=O)[O-])CC3)cc2)C1	ZINC001588382850	983375095	/nfs/dbraw/zinc/37/50/95/983375095.db2.gz	UVYSEOSRHMRYKQ-UHFFFAOYSA-N	-1	0	271.316	0.983	20	30		CCEDRM
C#C[C@@H]1CCCN(c2cc(C)nc3nc(C(=O)[O-])nn32)C1	ZINC001588383253	983378731	/nfs/dbraw/zinc/37/87/31/983378731.db2.gz	QMPDGSXBQSSEOM-SNVBAGLBSA-N	-1	0	285.307	0.981	20	30		CCEDRM
C#C[C@H]1COCCN1C[C@@H]1CC(C(=O)[O-])=C(C)O1	ZINC001588384207	983387553	/nfs/dbraw/zinc/38/75/53/983387553.db2.gz	YYAZWNSLLMNIJH-QWRGUYRKSA-N	-1	0	251.282	0.468	20	30		CCEDRM
C#CC[C@@H](COC)NC(=O)N[C@H]1CC[C@@H](C(=O)[O-])C1	ZINC001588393388	983397578	/nfs/dbraw/zinc/39/75/78/983397578.db2.gz	AZGKADRIBIOWTN-VWYCJHECSA-N	-1	0	268.313	0.577	20	30		CCEDRM
C#CC[C@@H](NC(=O)COCc1ncc(C)o1)C(=O)[O-]	ZINC001588404514	983417945	/nfs/dbraw/zinc/41/79/45/983417945.db2.gz	CQVZBVZMYUZKAK-SECBINFHSA-N	-1	0	266.253	0.092	20	30		CCEDRM
C#CC[C@H](NC(=O)/C=C\c1cncc(C)c1)C(=O)[O-]	ZINC001588405907	983423484	/nfs/dbraw/zinc/42/34/84/983423484.db2.gz	KHBTZBNEJVWWKW-FJOGCWAESA-N	-1	0	258.277	0.996	20	30		CCEDRM
C#CC[C@@H](NC(=O)CC(C)(C)CC(=O)OC)C(=O)[O-]	ZINC001588407252	983427531	/nfs/dbraw/zinc/42/75/31/983427531.db2.gz	YDGOXKHGAWAQKU-SECBINFHSA-N	-1	0	269.297	0.559	20	30		CCEDRM
C#CC[C@@H](NC(=O)[C@H]1CC[C@H]1C(=O)OCC)C(=O)[O-]	ZINC001588407864	983429490	/nfs/dbraw/zinc/42/94/90/983429490.db2.gz	PZNULZZUSGOIIW-IVZWLZJFSA-N	-1	0	267.281	0.168	20	30		CCEDRM
C#CC[C@H](NC(=O)Cc1ccc(O)cc1C)C(=O)[O-]	ZINC001588407929	983429769	/nfs/dbraw/zinc/42/97/69/983429769.db2.gz	RKNNZIUBRBMJFZ-LBPRGKRZSA-N	-1	0	261.277	0.836	20	30		CCEDRM
C#CC[C@H](NC(=O)c1cnc(OCC2CC2)cn1)C(=O)[O-]	ZINC001588415959	983435923	/nfs/dbraw/zinc/43/59/23/983435923.db2.gz	IYGRGQZLYLAJFB-JTQLQIEISA-N	-1	0	289.291	0.472	20	30		CCEDRM
C#CC[C@H](NC(=O)c1cn(C)nc1C1CCC1)C(=O)[O-]	ZINC001588417087	983438201	/nfs/dbraw/zinc/43/82/01/983438201.db2.gz	XDLDPBFVWJOGAK-NSHDSACASA-N	-1	0	275.308	0.894	20	30		CCEDRM
C#CC[C@H](NC(=O)c1cn(Cc2ccccc2)nn1)C(=O)[O-]	ZINC001588417113	983438635	/nfs/dbraw/zinc/43/86/35/983438635.db2.gz	YINJBGPWKYTYGU-LBPRGKRZSA-N	-1	0	298.302	0.533	20	30		CCEDRM
C#CCCCC(=O)N1CC[C@]2(CC(C(=O)[O-])=NO2)C1	ZINC001588435231	983475138	/nfs/dbraw/zinc/47/51/38/983475138.db2.gz	HMGWUPAKTSFWGM-ZDUSSCGKSA-N	-1	0	264.281	0.622	20	30		CCEDRM
C#CCCNS(=O)(=O)c1cc(C(=O)[O-])c(Cl)o1	ZINC001588453656	983476981	/nfs/dbraw/zinc/47/69/81/983476981.db2.gz	KXKPOMFJLMEDQC-UHFFFAOYSA-N	-1	0	277.685	0.933	20	30		CCEDRM
C#CCN(C(=O)C(=O)NC[C@H](CC(=O)[O-])C1CC1)C(C)C	ZINC001588457642	983481996	/nfs/dbraw/zinc/48/19/96/983481996.db2.gz	GFCAUEJLNYQTND-LBPRGKRZSA-N	-1	0	294.351	0.474	20	30		CCEDRM
C#CCN(C)C(=O)N[C@H]1C[C@H]2C[C@H](C(=O)[O-])C[C@H]21	ZINC001588461080	983488864	/nfs/dbraw/zinc/48/88/64/983488864.db2.gz	FJMSLGPVFIGRFS-YTWAJWBKSA-N	-1	0	250.298	0.760	20	30		CCEDRM
C#CCN(CC#N)C(=O)/C=C\c1cc(C(=O)[O-])co1	ZINC001588464814	983494650	/nfs/dbraw/zinc/49/46/50/983494650.db2.gz	MYDCQKWFZQYHFH-ARJAWSKDSA-N	-1	0	258.233	0.976	20	30		CCEDRM
C#CCN1CCC[C@H](NC(=O)NC/C=C(/C)C(=O)[O-])C1	ZINC001588477176	983514655	/nfs/dbraw/zinc/51/46/55/983514655.db2.gz	VXBPLOAGXFLKFA-DSDFTUOUSA-N	-1	0	279.340	0.414	20	30		CCEDRM
C#CCN1CCC[C@H](NC(=O)N2CC[C@@H](C(=O)[O-])[C@H]2C)C1	ZINC001588477382	983515909	/nfs/dbraw/zinc/51/59/09/983515909.db2.gz	ZCQBJQRCOXXHSX-FRRDWIJNSA-N	-1	0	293.367	0.589	20	30		CCEDRM
C#CCN1CCC[C@H](Nc2nccnc2C(=O)[O-])C1	ZINC001588477669	983517565	/nfs/dbraw/zinc/51/75/65/983517565.db2.gz	YKCONVYFHASAFJ-JTQLQIEISA-N	-1	0	260.297	0.684	20	30		CCEDRM
C#CCNC(=O)[C@H](C)OC(=O)c1cc(C)c(C(=O)[O-])o1	ZINC001588479600	983520463	/nfs/dbraw/zinc/52/04/63/983520463.db2.gz	VNBKSVRZOATHRQ-QMMMGPOBSA-N	-1	0	279.248	0.581	20	30		CCEDRM
C#CCNC(=O)[C@@H](C)OC(=O)c1ccc(C)c(C(=O)[O-])c1	ZINC001588479563	983520667	/nfs/dbraw/zinc/52/06/67/983520667.db2.gz	UDHCYHKPEJLTLW-SNVBAGLBSA-N	-1	0	289.287	0.988	20	30		CCEDRM
C#CCNC(=O)N[C@@H]1CCCn2nc(C(=O)[O-])cc21	ZINC001588484264	983523587	/nfs/dbraw/zinc/52/35/87/983523587.db2.gz	XWTWPKPFRPBCBL-MRVPVSSYSA-N	-1	0	262.269	0.349	20	30		CCEDRM
C#CCOCCNS(=O)(=O)c1cc(C)c(C(=O)[O-])o1	ZINC001588490952	983534624	/nfs/dbraw/zinc/53/46/24/983534624.db2.gz	ABQNGMZLMQYMEC-UHFFFAOYSA-N	-1	0	287.293	0.214	20	30		CCEDRM
C#CCONC(=O)c1cc(C(=O)[O-])nn1-c1ccccc1	ZINC001588499207	983545123	/nfs/dbraw/zinc/54/51/23/983545123.db2.gz	QLWOZMMOSSTZGK-UHFFFAOYSA-N	-1	0	285.259	0.865	20	30		CCEDRM
C#CCOc1ccc(C(=O)NCC[C@H](O)C(=O)[O-])cc1	ZINC001588499434	983545731	/nfs/dbraw/zinc/54/57/31/983545731.db2.gz	ZNFWAZGSGBCWOS-LBPRGKRZSA-N	-1	0	277.276	0.264	20	30		CCEDRM
C#CCSCC(=O)N1CCN([C@H](C)CC(=O)[O-])CC1	ZINC001588504872	983549285	/nfs/dbraw/zinc/54/92/85/983549285.db2.gz	OASZFRBIPYPJKZ-LLVKDONJSA-N	-1	0	284.381	0.360	20	30		CCEDRM
C#CCSCC(=O)OCc1cc(C(=O)[O-])no1	ZINC001588505997	983550609	/nfs/dbraw/zinc/55/06/09/983550609.db2.gz	DAXFFOOIPDJNMD-UHFFFAOYSA-N	-1	0	255.251	0.782	20	30		CCEDRM
C#Cc1ccc(C(=O)N2C[C@H](O)C[C@H]2C(=O)[O-])cc1	ZINC001588510336	983555472	/nfs/dbraw/zinc/55/54/72/983555472.db2.gz	AVDAYPJATQGJNN-NEPJUHHUSA-N	-1	0	259.261	0.328	20	30		CCEDRM
C#Cc1ccc(CNS(=O)(=O)C[C@@H](C)C(=O)[O-])cc1	ZINC001588517677	983566177	/nfs/dbraw/zinc/56/61/77/983566177.db2.gz	YVEQWALPTGBHHI-SNVBAGLBSA-N	-1	0	281.333	0.808	20	30		CCEDRM
C#Cc1ccccc1CC(=O)N[C@H](COC)C(=O)[O-]	ZINC001588524183	983574132	/nfs/dbraw/zinc/57/41/32/983574132.db2.gz	BRFADWWRODPNGI-GFCCVEGCSA-N	-1	0	261.277	0.426	20	30		CCEDRM
C#Cc1ccccc1CC(=O)N1CCOC[C@@H]1C(=O)[O-]	ZINC001588524250	983574503	/nfs/dbraw/zinc/57/45/03/983574503.db2.gz	DMDMVFRVZZQUHO-CYBMUJFWSA-N	-1	0	273.288	0.522	20	30		CCEDRM
C=C(C)C[C@H](NC(=O)[C@@H](CC)NC(C)=O)C(=O)[O-]	ZINC001588537269	983598951	/nfs/dbraw/zinc/59/89/51/983598951.db2.gz	KQVMZJMELWNLMJ-ZJUUUORDSA-N	-1	0	256.302	0.437	20	30		CCEDRM
C=C(C)C[C@H](NC(=O)C1=C[S@](=O)CCC1)C(=O)[O-]	ZINC001588537808	983602125	/nfs/dbraw/zinc/60/21/25/983602125.db2.gz	YRBDPBRIMGXDLH-XTZNXHDOSA-N	-1	0	271.338	0.948	20	30		CCEDRM
C=C(C)C[C@H](NC(=O)CCNC(=O)OC)C(=O)[O-]	ZINC001588540223	983603098	/nfs/dbraw/zinc/60/30/98/983603098.db2.gz	CBQVSMYDXGVKNI-QMMMGPOBSA-N	-1	0	258.274	0.268	20	30		CCEDRM
C=C(C)C[C@@H](NC(=O)CCc1cn[nH]n1)C(=O)[O-]	ZINC001588542496	983608468	/nfs/dbraw/zinc/60/84/68/983608468.db2.gz	IZFYCFVVNVAKNI-SECBINFHSA-N	-1	0	252.274	0.273	20	30		CCEDRM
C=C(C)C[C@H](NC(=O)[C@@H]1CC[C@H](C(=O)OC)O1)C(=O)[O-]	ZINC001588542890	983610029	/nfs/dbraw/zinc/61/00/29/983610029.db2.gz	AJSBZBHEAHAYSX-LPEHRKFASA-N	-1	0	285.296	0.243	20	30		CCEDRM
C=C(C)C[C@H](NC(=O)Cn1nnnc1C(C)C)C(=O)[O-]	ZINC001588543766	983612378	/nfs/dbraw/zinc/61/23/78/983612378.db2.gz	NKUBWUBKJIJCDW-VIFPVBQESA-N	-1	0	281.316	0.332	20	30		CCEDRM
CCN(C[C@H](C)C#N)C(=O)COC(=O)C1(C(=O)[O-])CC1	ZINC001596229555	983621323	/nfs/dbraw/zinc/62/13/23/983621323.db2.gz	ADBIRBGTEGCBMK-SECBINFHSA-N	-1	0	282.296	0.403	20	30		CCEDRM
C=C(C)C[C@@H](NC(C)=O)C(=O)Nc1cc(C(=O)[O-])no1	ZINC001588547832	983621785	/nfs/dbraw/zinc/62/17/85/983621785.db2.gz	NWMXVKHRLFWBIM-MRVPVSSYSA-N	-1	0	281.268	0.782	20	30		CCEDRM
C=C(C)C[C@@H](NS(=O)(=O)CCCC(=O)OC)C(=O)[O-]	ZINC001588553055	983627323	/nfs/dbraw/zinc/62/73/23/983627323.db2.gz	GMJGBHUUQQEVDY-SECBINFHSA-N	-1	0	293.341	0.278	20	30		CCEDRM
CCN(CC(F)(F)F)C(=O)CN(CC#N)CCC(=O)[O-]	ZINC001596236180	983630320	/nfs/dbraw/zinc/63/03/20/983630320.db2.gz	QMRBQQJUJHOCAJ-UHFFFAOYSA-N	-1	0	295.261	0.697	20	30		CCEDRM
C=C(C)CCOC(=O)CN1CCC[C@H](C(=O)[O-])C1=O	ZINC001588561685	983642724	/nfs/dbraw/zinc/64/27/24/983642724.db2.gz	WDJYRJTXWZTWIJ-JTQLQIEISA-N	-1	0	269.297	0.819	20	30		CCEDRM
C=C(C)CONC(=O)N1CCSC[C@@H](C(=O)[O-])C1	ZINC001588573235	983651631	/nfs/dbraw/zinc/65/16/31/983651631.db2.gz	DUTRXBKYXRNSEW-VIFPVBQESA-N	-1	0	274.342	0.953	20	30		CCEDRM
C=C(C)CNC(=O)CN1CCC[C@H](C(=O)[O-])C1=O	ZINC001588585157	983663185	/nfs/dbraw/zinc/66/31/85/983663185.db2.gz	LHQACEYRJOBIMK-VIFPVBQESA-N	-1	0	254.286	0.002	20	30		CCEDRM
C=C(C)CN1CCN(C(=O)[C@@H]2C[C@@H]2C(=O)[O-])CC1	ZINC001588585417	983663499	/nfs/dbraw/zinc/66/34/99/983663499.db2.gz	QNZIIURZWFETAQ-MNOVXSKESA-N	-1	0	252.314	0.427	20	30		CCEDRM
C=C(CC(C)C)C(=O)N1C[C@@H](C(=O)[O-])[C@H](C(=O)OC)C1	ZINC001588605258	983691824	/nfs/dbraw/zinc/69/18/24/983691824.db2.gz	FRFAZLFQPHPGNM-GHMZBOCLSA-N	-1	0	283.324	0.921	20	30		CCEDRM
C=C(CCC(=O)[O-])C(=O)N(CC)[C@@H]1CCNC1=O	ZINC001588611951	983701151	/nfs/dbraw/zinc/70/11/51/983701151.db2.gz	CSLJWBLWVHPGRF-SECBINFHSA-N	-1	0	254.286	0.144	20	30		CCEDRM
C=C(CCC(=O)[O-])C(=O)N(CCC)[C@H]1CC(=O)N(C)C1=O	ZINC001588612732	983704153	/nfs/dbraw/zinc/70/41/53/983704153.db2.gz	WSMDFTOQQLWFHO-JTQLQIEISA-N	-1	0	296.323	0.403	20	30		CCEDRM
C=C(CCC(=O)[O-])C(=O)N1CC[C@@H](NC(C)=O)C1	ZINC001588613975	983705944	/nfs/dbraw/zinc/70/59/44/983705944.db2.gz	IESUHLYAXMCGAW-SNVBAGLBSA-N	-1	0	254.286	0.144	20	30		CCEDRM
C=C(CCC(=O)[O-])C(=O)N1CC(n2cc(C(C)=O)nn2)C1	ZINC001588614082	983706190	/nfs/dbraw/zinc/70/61/90/983706190.db2.gz	LJEJDIPMTUJZCV-UHFFFAOYSA-N	-1	0	292.295	0.285	20	30		CCEDRM
C=C(CCC(=O)[O-])C(=O)N1C[C@@H]2C[C@H]1C[S@]2=O	ZINC001588619458	983717021	/nfs/dbraw/zinc/71/70/21/983717021.db2.gz	UVZFQTWXQDFWOO-IRWWLHRVSA-N	-1	0	257.311	0.139	20	30		CCEDRM
CCN(CCC#N)[C@@H]1CCCN(CCC(=O)[O-])C1=O	ZINC001596299366	983723410	/nfs/dbraw/zinc/72/34/10/983723410.db2.gz	DPIDALOHZIJKJT-LLVKDONJSA-N	-1	0	267.329	0.688	20	30		CCEDRM
C=C(CCC(=O)[O-])C(=O)N[C@H]1CCn2cncc2C1	ZINC001588623578	983728881	/nfs/dbraw/zinc/72/88/81/983728881.db2.gz	SYFLASAZMMPSRZ-JTQLQIEISA-N	-1	0	263.297	0.735	20	30		CCEDRM
C=C(CCC(=O)[O-])C(=O)N[C@H]1CCCN(CC)C1=O	ZINC001588623615	983729020	/nfs/dbraw/zinc/72/90/20/983729020.db2.gz	UEFGODFXIGMWMN-JTQLQIEISA-N	-1	0	268.313	0.535	20	30		CCEDRM
C=C(CCC(=O)[O-])C(=O)NCc1cnn(CCF)c1	ZINC001588629433	983737371	/nfs/dbraw/zinc/73/73/71/983737371.db2.gz	AVCNRYZMEPBPAO-UHFFFAOYSA-N	-1	0	269.276	0.890	20	30		CCEDRM
C=C(CCC(=O)[O-])C(=O)NCCc1nnc(C)s1	ZINC001588630053	983741330	/nfs/dbraw/zinc/74/13/30/983741330.db2.gz	PRCHDDMISHZWMD-UHFFFAOYSA-N	-1	0	269.326	0.926	20	30		CCEDRM
C=C(CCC(=O)OC)C(=O)Nc1nn(C)cc1C(=O)[O-]	ZINC001588634053	983751783	/nfs/dbraw/zinc/75/17/83/983751783.db2.gz	VQPJXNSGYKEHMY-UHFFFAOYSA-N	-1	0	281.268	0.566	20	30		CCEDRM
CCN(CCc1cn(CC(=O)[O-])nn1)[C@H](C)C#N	ZINC001596351842	983809958	/nfs/dbraw/zinc/80/99/58/983809958.db2.gz	IBFJVRVGPOBJCS-SECBINFHSA-N	-1	0	251.290	0.139	20	30		CCEDRM
C=C[C@H](C(=O)[O-])n1cc(CC(C)(C)C(=O)OC)nn1	ZINC001588670036	983817272	/nfs/dbraw/zinc/81/72/72/983817272.db2.gz	USORXIWHMAWKAI-SECBINFHSA-N	-1	0	267.285	0.832	20	30		CCEDRM
C=C[C@@](C)(O)CC(=O)N[C@H](CC(F)F)C(=O)[O-]	ZINC001588683851	983852241	/nfs/dbraw/zinc/85/22/41/983852241.db2.gz	FWXUXXXUFYLZKF-LHLIQPBNSA-N	-1	0	251.229	0.538	20	30		CCEDRM
C=C[C@@H](NCc1cccc(OCC(=O)[O-])c1)C(=O)OC	ZINC001588700637	983911231	/nfs/dbraw/zinc/91/12/31/983911231.db2.gz	JLTICSIOUSRORQ-GFCCVEGCSA-N	-1	0	279.292	0.967	20	30		CCEDRM
C=C[C@@H](OC(=O)[C@@H](OC)C(=O)OC(C)(C)C)C(=O)[O-]	ZINC001588705901	983928705	/nfs/dbraw/zinc/92/87/05/983928705.db2.gz	RVONBLSQBNXVBX-HTQZYQBOSA-N	-1	0	274.269	0.526	20	30		CCEDRM
C=C[C@H](O)C(=O)Nc1nnc(CCCC(=O)[O-])s1	ZINC001588705879	983928716	/nfs/dbraw/zinc/92/87/16/983928716.db2.gz	RAVFXPKKGPAECY-LURJTMIESA-N	-1	0	271.298	0.431	20	30		CCEDRM
C=C[C@@H](OC(=O)c1nccnc1SC)C(=O)[O-]	ZINC001588712033	983940911	/nfs/dbraw/zinc/94/09/11/983940911.db2.gz	FWMLCOFCTZLZBH-ZCFIWIBFSA-N	-1	0	254.267	0.995	20	30		CCEDRM
C=C[C@H](OC(=O)c1cncc(OCCOC)c1)C(=O)[O-]	ZINC001588712409	983943665	/nfs/dbraw/zinc/94/36/65/983943665.db2.gz	KTFLVASOTFIBHT-NSHDSACASA-N	-1	0	281.264	0.903	20	30		CCEDRM
C=C[C@@H](OC(=O)c1cc(S(C)(=O)=O)oc1C)C(=O)[O-]	ZINC001588712627	983945291	/nfs/dbraw/zinc/94/52/91/983945291.db2.gz	MUJSLEQMDOUYLS-MRVPVSSYSA-N	-1	0	288.277	0.788	20	30		CCEDRM
C=CCC(C)(C)C(=O)NCCCNC(=O)[C@@H]1C[C@@H]1C(=O)[O-]	ZINC001588732000	984015360	/nfs/dbraw/zinc/01/53/60/984015360.db2.gz	SZKBWAGFNOOLAR-MNOVXSKESA-N	-1	0	296.367	0.932	20	30		CCEDRM
C=CC[C@H](CO)CNC(=O)COCc1ocnc1C(=O)[O-]	ZINC001588737298	984029500	/nfs/dbraw/zinc/02/95/00/984029500.db2.gz	IDMFFCYXFQAWRX-VIFPVBQESA-N	-1	0	298.295	0.190	20	30		CCEDRM
C=CC[C@H](CO)NC(=O)Nc1nc(CC(=O)[O-])cs1	ZINC001588744020	984040618	/nfs/dbraw/zinc/04/06/18/984040618.db2.gz	GNYVVFVKJUJBQV-SSDOTTSWSA-N	-1	0	285.325	0.829	20	30		CCEDRM
C=CC[C@H](CO)NC(=O)c1cncc(C(=O)[O-])c1	ZINC001588745220	984050363	/nfs/dbraw/zinc/05/03/63/984050363.db2.gz	VWBFCNIXDIIDBB-SNVBAGLBSA-N	-1	0	250.254	0.447	20	30		CCEDRM
C=CC[C@H](N[C@@H](C[C@H]1CCCO1)C(=O)[O-])C(=O)OC	ZINC001588745765	984054930	/nfs/dbraw/zinc/05/49/30/984054930.db2.gz	MVEZCKPLPVGSIK-VWYCJHECSA-N	-1	0	271.313	0.716	20	30		CCEDRM
C=CC[C@H](OC(=O)c1cn2c(n1)COCC2)C(=O)[O-]	ZINC001588759345	984110647	/nfs/dbraw/zinc/11/06/47/984110647.db2.gz	RUXQVZOPPBPSNM-VIFPVBQESA-N	-1	0	266.253	0.599	20	30		CCEDRM
C=CCC1(C(=O)O[C@H](C)C(=O)NCC(=O)[O-])CCC1	ZINC001588764937	984124300	/nfs/dbraw/zinc/12/43/00/984124300.db2.gz	LYYYXGHXIAGPDA-SECBINFHSA-N	-1	0	269.297	0.865	20	30		CCEDRM
C=CCC[C@@H](CO)NC(=O)NC[C@H]1CCO[C@H]1C(=O)[O-]	ZINC001588777981	984158502	/nfs/dbraw/zinc/15/85/02/984158502.db2.gz	OKCAYDPVSZNWNP-OUAUKWLOSA-N	-1	0	286.328	0.102	20	30		CCEDRM
C=CCCCC(=O)O[C@H]1CCN(CCC(=O)[O-])C1=O	ZINC001588782606	984173460	/nfs/dbraw/zinc/17/34/60/984173460.db2.gz	KKPZLHSRCCQZCP-JTQLQIEISA-N	-1	0	269.297	0.962	20	30		CCEDRM
C=CCCC[C@@H](NC(=O)/C=C/Cn1cncn1)C(=O)[O-]	ZINC001588790071	984203508	/nfs/dbraw/zinc/20/35/08/984203508.db2.gz	PMLPVGQBMSMYNS-OKPNEXGHSA-N	-1	0	278.312	0.760	20	30		CCEDRM
C=CCCNC(=O)C(=O)Nc1ccc(OCC(=O)[O-])cc1	ZINC001588807283	984258587	/nfs/dbraw/zinc/25/85/87/984258587.db2.gz	GZGIVAGQRGSNFT-UHFFFAOYSA-N	-1	0	292.291	0.781	20	30		CCEDRM
C=CCCO[C@@H](C)C(=O)N1CCc2[nH]nc(C(=O)[O-])c2C1	ZINC001588808507	984262306	/nfs/dbraw/zinc/26/23/06/984262306.db2.gz	DQDBRTPKTNZXCO-VIFPVBQESA-N	-1	0	293.323	0.974	20	30		CCEDRM
C=CCCO[C@@H](C)C(=O)N[C@](CC)(COC)C(=O)[O-]	ZINC001588809089	984265279	/nfs/dbraw/zinc/26/52/79/984265279.db2.gz	ZKMOWGLYYRURNH-GXFFZTMASA-N	-1	0	273.329	0.964	20	30		CCEDRM
C=CCCOCC(=O)O[C@H]1C[C@@H](C(=O)[O-])N(C)C1	ZINC001588810309	984266416	/nfs/dbraw/zinc/26/64/16/984266416.db2.gz	IIMQZRRKSJABFF-UWVGGRQHSA-N	-1	0	257.286	0.280	20	30		CCEDRM
C=CCCn1cc([C@H]2NC(=O)NC(C)=C2C(=O)[O-])nn1	ZINC001588817236	984275450	/nfs/dbraw/zinc/27/54/50/984275450.db2.gz	GMGFUQIYSBXDTH-SNVBAGLBSA-N	-1	0	277.284	0.567	20	30		CCEDRM
C=CCCn1cc(Cn2nc(C(=O)[O-])ccc2=O)nn1	ZINC001588820172	984282027	/nfs/dbraw/zinc/28/20/27/984282027.db2.gz	UUVRPTRNFZGMGS-UHFFFAOYSA-N	-1	0	275.268	0.157	20	30		CCEDRM
C=CCN(C(=O)[C@H]1C[C@@H](C)[C@H](C(=O)[O-])O1)[C@@H](C)COC	ZINC001588820410	984283581	/nfs/dbraw/zinc/28/35/81/984283581.db2.gz	AIRNOHFVSAZJKV-WRWGMCAJSA-N	-1	0	285.340	0.914	20	30		CCEDRM
C=CCN(CC=C)C(=O)CN1C[C@H](OC)C[C@]1(C)C(=O)[O-]	ZINC001588825494	984300711	/nfs/dbraw/zinc/30/07/11/984300711.db2.gz	RGNSBAHJAINPLN-IUODEOHRSA-N	-1	0	296.367	0.751	20	30		CCEDRM
C=CCN(CCOC)C(=O)COCc1ocnc1C(=O)[O-]	ZINC001588828753	984309545	/nfs/dbraw/zinc/30/95/45/984309545.db2.gz	MLKZRQYQABWHBR-UHFFFAOYSA-N	-1	0	298.295	0.550	20	30		CCEDRM
C=CCN1CC[C@H](N2CCC[C@@H]3C[C@@]32C(=O)[O-])C1=O	ZINC001588838993	984343371	/nfs/dbraw/zinc/34/33/71/984343371.db2.gz	MWXASXWZZPMFKL-SUNKGSAMSA-N	-1	0	264.325	0.712	20	30		CCEDRM
C=CCNC(=O)COC(=O)c1ccc(C(=O)[O-])n1C	ZINC001588844768	984360356	/nfs/dbraw/zinc/36/03/56/984360356.db2.gz	STRKDMYJYYFAST-UHFFFAOYSA-N	-1	0	266.253	0.182	20	30		CCEDRM
C=CCNc1ncc(C(=O)N[C@H](CCOC)C(=O)[O-])s1	ZINC001588849242	984369589	/nfs/dbraw/zinc/36/95/89/984369589.db2.gz	FUPGOCYCXKZEEC-MRVPVSSYSA-N	-1	0	299.352	0.961	20	30		CCEDRM
C=CCOC[C@@H](NC(=O)c1c[nH]c(=O)cc1OC)C(=O)[O-]	ZINC001588859273	984404358	/nfs/dbraw/zinc/40/43/58/984404358.db2.gz	GAXVXEPTKVLJDF-SECBINFHSA-N	-1	0	296.279	0.181	20	30		CCEDRM
C=CCOC[C@H](NC(=O)c1snnc1C1CC1)C(=O)[O-]	ZINC001588859930	984409688	/nfs/dbraw/zinc/40/96/88/984409688.db2.gz	BRGMMYPETOVLCB-QMMMGPOBSA-N	-1	0	297.336	0.801	20	30		CCEDRM
C=CCOC[C@@H](NC(=O)c1nccc(C)n1)C(=O)[O-]	ZINC001588860231	984411638	/nfs/dbraw/zinc/41/16/38/984411638.db2.gz	NEPLDNYARSNMCL-SECBINFHSA-N	-1	0	265.269	0.171	20	30		CCEDRM
C=CCOC[C@@H](NC(=O)c1ccc([N+](=O)[O-])o1)C(=O)[O-]	ZINC001588861792	984416457	/nfs/dbraw/zinc/41/64/57/984416457.db2.gz	MNFHMLYCDXETKZ-SSDOTTSWSA-N	-1	0	284.224	0.573	20	30		CCEDRM
C=CCOC[C@@H](NC(=O)c1ccc(Cl)nc1N)C(=O)[O-]	ZINC001588862259	984417953	/nfs/dbraw/zinc/41/79/53/984417953.db2.gz	TYPVWXOLUMZJFA-MRVPVSSYSA-N	-1	0	299.714	0.703	20	30		CCEDRM
C=CCOCCCN1C(=O)[C@@H]2CC[C@H](C(=O)[O-])CN2C1=O	ZINC001588866190	984423511	/nfs/dbraw/zinc/42/35/11/984423511.db2.gz	AXOJAZVRJWKTSQ-QWRGUYRKSA-N	-1	0	296.323	0.707	20	30		CCEDRM
C=CCOCCCC(=O)Nc1ccnc(C(=O)[O-])n1	ZINC001588866576	984426313	/nfs/dbraw/zinc/42/63/13/984426313.db2.gz	KZHLTILJFBKJLQ-UHFFFAOYSA-N	-1	0	265.269	0.518	20	30		CCEDRM
C=CCOCCN1C(=O)[C@H]2C[C@H](C(=O)[O-])CCN2C1=O	ZINC001588868813	984435268	/nfs/dbraw/zinc/43/52/68/984435268.db2.gz	BQVHIQBXGPGVDV-NXEZZACHSA-N	-1	0	282.296	0.316	20	30		CCEDRM
C=CCn1cc(CNC(=O)c2csc(C(=O)[O-])n2)nn1	ZINC001588909513	984544554	/nfs/dbraw/zinc/54/45/54/984544554.db2.gz	XJSGLPNBRBUHRT-UHFFFAOYSA-N	-1	0	293.308	0.549	20	30		CCEDRM
C=CCn1cc(C(=O)N[C@H](C[C@H]2CCCO2)C(=O)[O-])nn1	ZINC001588910105	984547368	/nfs/dbraw/zinc/54/73/68/984547368.db2.gz	LDZCIMWGGGUCHI-NXEZZACHSA-N	-1	0	294.311	0.216	20	30		CCEDRM
C=C[C@@H]1OCC[C@H]1C(=O)N[C@@]1(CC(=O)[O-])CCOC1	ZINC001588916535	984561713	/nfs/dbraw/zinc/56/17/13/984561713.db2.gz	QYYQKXSIISUBKR-GBIKHYSHSA-N	-1	0	269.297	0.328	20	30		CCEDRM
C=C[C@H](CO)NC(=O)NCCOc1ccc(C(=O)[O-])cc1	ZINC001588919475	984572326	/nfs/dbraw/zinc/57/23/26/984572326.db2.gz	AQUHYJCBRVCMIC-LLVKDONJSA-N	-1	0	294.307	0.610	20	30		CCEDRM
CC#CCCCC(=O)N(C)CCNC(=O)[C@H]1C[C@H]1C(=O)[O-]	ZINC001588925521	984587644	/nfs/dbraw/zinc/58/76/44/984587644.db2.gz	SAULILZHYUMPHK-NWDGAFQWSA-N	-1	0	294.351	0.475	20	30		CCEDRM
CC#CC(=O)NC1(C(=O)OC)CCC(C(=O)[O-])CC1	ZINC001588926293	984592746	/nfs/dbraw/zinc/59/27/46/984592746.db2.gz	PWLOITSEQLQKLK-UHFFFAOYSA-N	-1	0	267.281	0.313	20	30		CCEDRM
CC#CCCCC(=O)Nc1n[nH]c(CC(=O)[O-])n1	ZINC001588926908	984595260	/nfs/dbraw/zinc/59/52/60/984595260.db2.gz	CDFJKIMGYYEGTQ-UHFFFAOYSA-N	-1	0	250.258	0.564	20	30		CCEDRM
CC#CCN(C)S(=O)(=O)c1cc(C(=O)[O-])ccn1	ZINC001588931518	984603397	/nfs/dbraw/zinc/60/33/97/984603397.db2.gz	YHRHDLTTYXDLDB-UHFFFAOYSA-N	-1	0	268.294	0.424	20	30		CCEDRM
CC#CCNC(=O)C(=O)Nc1cccc(C(=O)[O-])c1C	ZINC001588932128	984605580	/nfs/dbraw/zinc/60/55/80/984605580.db2.gz	KHCQEXNEEBRZGC-UHFFFAOYSA-N	-1	0	274.276	0.771	20	30		CCEDRM
C[C@H](NC(=O)c1cc(C#N)cc(N(C)C)c1)C(=O)[O-]	ZINC001599899465	984795491	/nfs/dbraw/zinc/79/54/91/984795491.db2.gz	GXEJZVOLOVLKHA-QMMMGPOBSA-N	-1	0	261.281	0.827	20	30		CCEDRM
CC(=NN1CCCC[C@H]1C)c1cn(CC(=O)[O-])nn1	ZINC001589011139	984987364	/nfs/dbraw/zinc/98/73/64/984987364.db2.gz	QISJHFJSANMCNP-SECBINFHSA-N	-1	0	265.317	0.961	20	30		CCEDRM
C[C@H]1CN(C(=O)Cc2ccc(C#N)cc2)C[C@@H](C(=O)[O-])O1	ZINC001599918006	985087663	/nfs/dbraw/zinc/08/76/63/985087663.db2.gz	XWQMOLPGZCZULN-GWCFXTLKSA-N	-1	0	288.303	0.801	20	30		CCEDRM
C[C@H]1CN(c2nnc(C(C)(C)C#N)n2C)C[C@@H](C(=O)[O-])O1	ZINC001599936338	985400764	/nfs/dbraw/zinc/40/07/64/985400764.db2.gz	ZDAALGVRJUZVJZ-IUCAKERBSA-N	-1	0	293.327	0.295	20	30		CCEDRM
C[C@@H]1CN(C(=O)c2cc(C(=O)[O-])on2)C[C@@H](C)N1CC#N	ZINC001594490196	985599117	/nfs/dbraw/zinc/59/91/17/985599117.db2.gz	WSGORSIAPSLUDL-RKDXNWHRSA-N	-1	0	292.295	0.431	20	30		CCEDRM
CCOC[C@@H](C(=O)[O-])N(C)Cc1ccncc1C#N	ZINC001596885322	985787496	/nfs/dbraw/zinc/78/74/96/985787496.db2.gz	WQMOLRYYKBREEF-LBPRGKRZSA-N	-1	0	263.297	0.875	20	30		CCEDRM
Cc1c(C#N)cccc1C(=O)N1CCC[C@H](O)[C@@H]1C(=O)[O-]	ZINC001599973459	986048301	/nfs/dbraw/zinc/04/83/01/986048301.db2.gz	UPADQEKMWMAKEH-QWHCGFSZSA-N	-1	0	288.303	0.917	20	30		CCEDRM
C[C@H](C#N)CN(C)C(=O)C(=O)N1CCC[C@@H]1CC(=O)[O-]	ZINC001589329890	986168240	/nfs/dbraw/zinc/16/82/40/986168240.db2.gz	VPKSKOVGRBQDQD-NXEZZACHSA-N	-1	0	281.312	0.070	20	30		CCEDRM
CC(C)[C@H](NC(=O)CN(C)C[C@H](C)C#N)C(=O)[O-]	ZINC001589329906	986168277	/nfs/dbraw/zinc/16/82/77/986168277.db2.gz	VSBVDWJDPWDMKA-KOLCDFICSA-N	-1	0	255.318	0.303	20	30		CCEDRM
C[C@@H](C#N)CN(CN1C[C@@H](C(=O)[O-])OC1=O)C1CC1	ZINC001589330697	986177037	/nfs/dbraw/zinc/17/70/37/986177037.db2.gz	NRQQRHZKJJNWTB-WPRPVWTQSA-N	-1	0	267.285	0.473	20	30		CCEDRM
C[C@H](C#N)CN(CN1C[C@@H](C(=O)[O-])OC1=O)C1CC1	ZINC001589330696	986177274	/nfs/dbraw/zinc/17/72/74/986177274.db2.gz	NRQQRHZKJJNWTB-SCZZXKLOSA-N	-1	0	267.285	0.473	20	30		CCEDRM
CCC(C#N)(CC)C(=O)Nc1n[nH]c(CC(=O)[O-])n1	ZINC001594721804	987205530	/nfs/dbraw/zinc/20/55/30/987205530.db2.gz	CZJVCKXXCLPVHV-UHFFFAOYSA-N	-1	0	265.273	0.700	20	30		CCEDRM
CC(C)(C#N)CN1C(=O)[C@@H]2CC[C@H](C(=O)[O-])CN2C1=O	ZINC001589554618	987301969	/nfs/dbraw/zinc/30/19/69/987301969.db2.gz	GQNCELOMKOWRQL-IUCAKERBSA-N	-1	0	279.296	0.664	20	30		CCEDRM
CC(C)(C)CCNC(=O)CN(CC#N)CC(=O)[O-]	ZINC001589776726	988138039	/nfs/dbraw/zinc/13/80/39/988138039.db2.gz	DVOKAKYKBGRZQF-UHFFFAOYSA-N	-1	0	255.318	0.449	20	30		CCEDRM
C[C@@H](O)[C@H](NC(=O)C#Cc1cccs1)C(=O)[O-]	ZINC001599843441	988890766	/nfs/dbraw/zinc/89/07/66/988890766.db2.gz	FOGFLTRITKPMGA-XCBNKYQSSA-N	-1	0	253.279	0.050	20	30		CCEDRM
C[C@@H]1CN(C(=O)C#Cc2ccccc2)C[C@@H](C(=O)[O-])O1	ZINC001599847762	988962300	/nfs/dbraw/zinc/96/23/00/988962300.db2.gz	CDIPTRJTUKODNA-YPMHNXCESA-N	-1	0	273.288	0.739	20	30		CCEDRM
C[C@@H]1C[C@H](C(=O)NC2(C#N)CCSCC2)O[C@H]1C(=O)[O-]	ZINC001599874154	989395938	/nfs/dbraw/zinc/39/59/38/989395938.db2.gz	XTCBRLLRZJKEKJ-OPRDCNLKSA-N	-1	0	298.364	0.770	20	30		CCEDRM
C[C@]12CN(CC#N)C[C@@]1(C)CN(C(=O)[C@H]1C[C@H]1C(=O)[O-])C2	ZINC001599883923	989523755	/nfs/dbraw/zinc/52/37/55/989523755.db2.gz	CJCGVGZALKSMLN-IDTSFGKNSA-N	-1	0	291.351	0.401	20	30		CCEDRM
CC(C)(C)OC(=O)[C@@H]1CC[C@H]1C(=O)N(CC#N)CC(=O)[O-]	ZINC001590332823	989774990	/nfs/dbraw/zinc/77/49/90/989774990.db2.gz	XIHJUOKXRPBATR-NXEZZACHSA-N	-1	0	296.323	0.791	20	30		CCEDRM
CCn1nncc1/C=C1/CCn2nc(C(=O)[O-])cc2C1=O	ZINC001597976221	990040678	/nfs/dbraw/zinc/04/06/78/990040678.db2.gz	RKWNBDDWAMJPHN-YVMONPNESA-N	-1	0	287.279	0.863	20	30		CCEDRM
CC(C)(CS(=O)(=O)Oc1cccnc1C#N)C(=O)[O-]	ZINC001590812299	990643918	/nfs/dbraw/zinc/64/39/18/990643918.db2.gz	LWPDYKUPNJNIJS-UHFFFAOYSA-N	-1	0	284.293	0.773	20	30		CCEDRM
CN(C)c1cc(C#N)cc(C(=O)NCC[C@H](O)C(=O)[O-])c1	ZINC001598287820	991191066	/nfs/dbraw/zinc/19/10/66/991191066.db2.gz	MNVGOWKZNQNUMA-LBPRGKRZSA-N	-1	0	291.307	0.190	20	30		CCEDRM
CN(C)c1nc(CN(CC#N)CC(=O)[O-])ns1	ZINC001598348845	991438820	/nfs/dbraw/zinc/43/88/20/991438820.db2.gz	HFVJOROWVQANPY-UHFFFAOYSA-N	-1	0	255.303	0.014	20	30		CCEDRM
CC(C)C[C@@H](NC(=O)CN([C@@H](C)C#N)C1CC1)C(=O)[O-]	ZINC001591162899	991926863	/nfs/dbraw/zinc/92/68/63/991926863.db2.gz	ZCQCYWOMIUZTHD-CMPLNLGQSA-N	-1	0	281.356	0.978	20	30		CCEDRM
CC(C)C[C@H](NC(=O)CN([C@@H](C)C#N)C1CC1)C(=O)[O-]	ZINC001591162901	991927364	/nfs/dbraw/zinc/92/73/64/991927364.db2.gz	ZCQCYWOMIUZTHD-JQWIXIFHSA-N	-1	0	281.356	0.978	20	30		CCEDRM
CN(CCNc1ccc(C#N)cn1)C(=O)[C@H]1C[C@@H]1C(=O)[O-]	ZINC001598495299	992350455	/nfs/dbraw/zinc/35/04/55/992350455.db2.gz	DPJVCPQZNISHPR-QWRGUYRKSA-N	-1	0	288.307	0.544	20	30		CCEDRM
CN(CCc1cn(CC(=O)[O-])nn1)[C@H]1CCC[C@H]1C#N	ZINC001598502920	992459162	/nfs/dbraw/zinc/45/91/62/992459162.db2.gz	SJKDTMHDKJKEAL-JQWIXIFHSA-N	-1	0	277.328	0.529	20	30		CCEDRM
CN(CN1C[C@@H](C(=O)[O-])OC1=O)CC(C)(C)C#N	ZINC001598503990	992475547	/nfs/dbraw/zinc/47/55/47/992475547.db2.gz	VHNHAARHZMNYCW-QMMMGPOBSA-N	-1	0	255.274	0.331	20	30		CCEDRM
CN(Cc1cccc(C(=O)[O-])c1C#N)S(C)(=O)=O	ZINC001598527255	992735439	/nfs/dbraw/zinc/73/54/39/992735439.db2.gz	LVZRINXLQCNPGA-UHFFFAOYSA-N	-1	0	268.294	0.648	20	30		CCEDRM
C[C@@](O)(CC(=O)N1CCC(C#N)(C(=O)[O-])CC1)C1CC1	ZINC001593381772	995093963	/nfs/dbraw/zinc/09/39/63/995093963.db2.gz	NXOHPKXFLCVHJN-CYBMUJFWSA-N	-1	0	280.324	0.754	20	30		CCEDRM
COC(=O)[C@@H](CCC(=O)[O-])N(C)CC(C)(C)C#N	ZINC001598697847	995170287	/nfs/dbraw/zinc/17/02/87/995170287.db2.gz	QDPQPPFFTGSMRU-SECBINFHSA-N	-1	0	256.302	0.874	20	30		CCEDRM
COC(=O)[C@H](CCC(=O)[O-])N1CCC(C#N)CC1	ZINC001598699166	995193022	/nfs/dbraw/zinc/19/30/22/995193022.db2.gz	XALNDYJIWGOCIE-JTQLQIEISA-N	-1	0	254.286	0.628	20	30		CCEDRM
C[C@@H](O)CN(CCO)Cc1cccc(C(=O)[O-])c1C#N	ZINC001593459317	995372725	/nfs/dbraw/zinc/37/27/25/995372725.db2.gz	OYBVQCUDOUUOGK-SNVBAGLBSA-N	-1	0	278.308	0.432	20	30		CCEDRM
C[C@H](OC(=O)c1sccc1C#N)C(=O)C(=O)[O-]	ZINC001593601090	995755018	/nfs/dbraw/zinc/75/50/18/995755018.db2.gz	GIQQRDMRGKYHDX-YFKPBYRVSA-N	-1	0	253.235	0.819	20	30		CCEDRM
COC(=O)[C@@H]1CC[C@@H](C(=O)[O-])N(C(=O)CC2(C#N)CC2)C1	ZINC001598779670	995970380	/nfs/dbraw/zinc/97/03/80/995970380.db2.gz	WYXJUVLALRWSKL-ZJUUUORDSA-N	-1	0	294.307	0.545	20	30		CCEDRM
COC(=O)[C@@H]1CN(C(=O)CC(C)(C)C#N)C[C@H]1C(=O)[O-]	ZINC001598805401	996181100	/nfs/dbraw/zinc/18/11/00/996181100.db2.gz	DFTZCAPQJZAGTH-RKDXNWHRSA-N	-1	0	282.296	0.258	20	30		CCEDRM
C[C@]1(C#N)CCN(C(=O)CN2CCC[C@H](C(=O)[O-])C2=O)C1	ZINC001593742655	996361873	/nfs/dbraw/zinc/36/18/73/996361873.db2.gz	CPTFKKPUTBWJEX-IINYFYTJSA-N	-1	0	293.323	0.072	20	30		CCEDRM
CC1(C#N)CN(CC(=O)N2CCC(C(=O)[O-])CC2)C1	ZINC001593743274	996366721	/nfs/dbraw/zinc/36/67/21/996366721.db2.gz	LUDTVLMWBMVCFQ-UHFFFAOYSA-N	-1	0	265.313	0.155	20	30		CCEDRM
COC(=O)[C@@H]1CN(Cc2ccncc2C#N)C[C@H]1C(=O)[O-]	ZINC001598826495	996388531	/nfs/dbraw/zinc/38/85/31/996388531.db2.gz	HZOHMXNNVRWXOS-VXGBXAGGSA-N	-1	0	289.291	0.259	20	30		CCEDRM
COC(=O)[C@@H]1CN(c2cnccc2C#N)C[C@H]1C(=O)[O-]	ZINC001598826922	996392859	/nfs/dbraw/zinc/39/28/59/996392859.db2.gz	KNIZXADUHSECGK-NXEZZACHSA-N	-1	0	275.264	0.263	20	30		CCEDRM
CC1(C(N)=O)CN(Cc2cccc(C(=O)[O-])c2C#N)C1	ZINC001593814958	996548063	/nfs/dbraw/zinc/54/80/63/996548063.db2.gz	BCMQRFRSKDUXIN-UHFFFAOYSA-N	-1	0	273.292	0.564	20	30		CCEDRM
COC(=O)CCN(CC#N)C[C@H]1[C@H](C(=O)[O-])C1(F)F	ZINC001598855674	996636356	/nfs/dbraw/zinc/63/63/56/996636356.db2.gz	XOXNUMCYRVDUDL-IONNQARKSA-N	-1	0	276.239	0.341	20	30		CCEDRM
COC(=O)CCN(CC#N)Cc1cc(C(=O)[O-])c(C)n1C	ZINC001598855870	996638261	/nfs/dbraw/zinc/63/82/61/996638261.db2.gz	ZWYXEVRZJVMASB-UHFFFAOYSA-N	-1	0	293.323	0.920	20	30		CCEDRM
CC1(C)C[C@@]1(C#N)NC(=O)CN1CCC[C@@H](C(=O)[O-])C1=O	ZINC001593864099	996665702	/nfs/dbraw/zinc/66/57/02/996665702.db2.gz	QTEDPJVICGUUEX-OTYXRUKQSA-N	-1	0	293.323	0.118	20	30		CCEDRM
COC(=O)CN(CC(=O)[O-])Cc1csc(C#N)c1	ZINC001598861479	996678623	/nfs/dbraw/zinc/67/86/23/996678623.db2.gz	BMAREIQGLOKPLE-UHFFFAOYSA-N	-1	0	268.294	0.679	20	30		CCEDRM
COc1cc(C(=O)[O-])ccc1S(=O)(=O)N(C)[C@H](C)C#N	ZINC001599380939	996843097	/nfs/dbraw/zinc/84/30/97/996843097.db2.gz	YLZWICXRFUEULY-MRVPVSSYSA-N	-1	0	298.320	0.926	20	30		CCEDRM
COC(=O)[C@@H](CCC(=O)[O-])NC(=O)c1ccc(C#N)n1C	ZINC001598892240	997013973	/nfs/dbraw/zinc/01/39/73/997013973.db2.gz	JYOUFMGKVCXXJQ-SECBINFHSA-N	-1	0	293.279	0.033	20	30		CCEDRM
COc1cc(C)nc(N2CCC(C#N)(C(=O)[O-])CC2)n1	ZINC001599394193	997095809	/nfs/dbraw/zinc/09/58/09/997095809.db2.gz	DRXUIWQWSRVBCX-UHFFFAOYSA-N	-1	0	276.296	0.988	20	30		CCEDRM
COC[C@@]1(C(=O)[O-])CCCN1C(=O)c1ccc(C#N)o1	ZINC001599192187	997142339	/nfs/dbraw/zinc/14/23/39/997142339.db2.gz	JGECRYRUEWXACN-CYBMUJFWSA-N	-1	0	278.264	0.857	20	30		CCEDRM
CO[C@@H]1CCC[C@H]([C@H](NC(=O)[C@@H](C)C#N)C(=O)[O-])C1	ZINC001599107537	997505001	/nfs/dbraw/zinc/50/50/01/997505001.db2.gz	VTPJQTOTUDLAOS-MMWGEVLESA-N	-1	0	268.313	0.921	20	30		CCEDRM
CO[C@@H]1CCC[C@H]([C@H](NC(=O)[C@H](C)C#N)C(=O)[O-])C1	ZINC001599107540	997505889	/nfs/dbraw/zinc/50/58/89/997505889.db2.gz	VTPJQTOTUDLAOS-YTWAJWBKSA-N	-1	0	268.313	0.921	20	30		CCEDRM
CON=CC(=O)N1CCc2ccc(C(=O)[O-])nc2C1	ZINC001599319944	997563221	/nfs/dbraw/zinc/56/32/21/997563221.db2.gz	ILCWWUQKVPDQCG-UHFFFAOYSA-N	-1	0	263.253	0.297	20	30		CCEDRM
COCC[C@@H](NC(=O)c1cc(C#N)cn1C)C(=O)[O-]	ZINC001599215406	997573552	/nfs/dbraw/zinc/57/35/52/997573552.db2.gz	VKULYVWJJNQECP-SECBINFHSA-N	-1	0	265.269	0.116	20	30		CCEDRM
CO[C@H]1C[C@H](CNC(=O)N2CCC(C#N)(C(=O)[O-])CC2)C1	ZINC001599326336	997671365	/nfs/dbraw/zinc/67/13/65/997671365.db2.gz	GRPUWFHNTKATIF-XYPYZODXSA-N	-1	0	295.339	0.811	20	30		CCEDRM
COCCN(CCC#N)C(=O)[C@H]1CC[C@@H](CCC(=O)[O-])O1	ZINC001599235830	997944459	/nfs/dbraw/zinc/94/44/59/997944459.db2.gz	TVVARLMEPSKCJN-NWDGAFQWSA-N	-1	0	298.339	0.787	20	30		CCEDRM
COCC#CC(=O)NC[C@@H](Oc1ccccc1)C(=O)[O-]	ZINC001599137786	998072589	/nfs/dbraw/zinc/07/25/89/998072589.db2.gz	CZIJPONCHMSXFJ-GFCCVEGCSA-N	-1	0	277.276	0.285	20	30		CCEDRM
COCC#CCN[C@@H](C(=O)[O-])c1ccc2c(c1)CCO2	ZINC001599139307	998099172	/nfs/dbraw/zinc/09/91/72/998099172.db2.gz	UCHVBQKCASCMHP-CQSZACIVSA-N	-1	0	275.304	0.987	20	30		CCEDRM
COC[C@](C)(C#N)NC(=O)c1csc(C(=O)[O-])n1	ZINC001599143970	998179625	/nfs/dbraw/zinc/17/96/25/998179625.db2.gz	OCWJTHFSOFSTLZ-JTQLQIEISA-N	-1	0	269.282	0.500	20	30		CCEDRM
COC(=O)c1ccc(C(=O)N(CC#N)CCC(=O)[O-])nc1	ZINC001598956420	998249744	/nfs/dbraw/zinc/24/97/44/998249744.db2.gz	KBCPSXDKYARMNG-UHFFFAOYSA-N	-1	0	291.263	0.309	20	30		CCEDRM
COC[C@](C)(NC(=O)C#Cc1cccs1)C(=O)[O-]	ZINC001599151566	998307118	/nfs/dbraw/zinc/30/71/18/998307118.db2.gz	XPRWVIYCPAFULJ-LBPRGKRZSA-N	-1	0	267.306	0.706	20	30		CCEDRM
C[C@H]1C(=O)N(N=Cc2ccc(C(=O)[O-])o2)C(=O)N1C	ZINC001594127925	998316306	/nfs/dbraw/zinc/31/63/06/998316306.db2.gz	DKNICQKYYNGRCH-LURJTMIESA-N	-1	0	265.225	0.594	20	30		CCEDRM
COC[C@H](C)NN=C1CCCn2nc(C(=O)[O-])cc21	ZINC001599161498	998466039	/nfs/dbraw/zinc/46/60/39/998466039.db2.gz	XFATUJXAEYWBRA-QMMMGPOBSA-N	-1	0	266.301	0.704	20	30		CCEDRM
N#Cc1ccc(OCC(=O)NCCOCC(=O)[O-])cc1	ZINC000093226395	349532205	/nfs/dbraw/zinc/53/22/05/349532205.db2.gz	OVSJPJYWNYJDJN-UHFFFAOYSA-N	-1	0	278.264	0.154	20	30		CCEDRM
C=CCCn1cc(CN=c2ccc(C(=O)OC)n[n-]2)nn1	ZINC000601178484	362168763	/nfs/dbraw/zinc/16/87/63/362168763.db2.gz	SGJQUSPNYBPTTG-UHFFFAOYSA-N	-1	0	288.311	0.465	20	30		CCEDRM
N#C[C@@H]1CSCCN1S(=O)(=O)c1ncc[n-]1	ZINC000601387151	362253347	/nfs/dbraw/zinc/25/33/47/362253347.db2.gz	OHJQHQMSFHKPPA-SSDOTTSWSA-N	-1	0	258.328	0.039	20	30		CCEDRM
Cc1cn2c(n1)C[C@H](C(=O)N=c1[nH][n-]cc1C#N)CC2	ZINC000601636722	362334346	/nfs/dbraw/zinc/33/43/46/362334346.db2.gz	NTDMHNKXZYTZOQ-SECBINFHSA-N	-1	0	270.296	0.409	20	30		CCEDRM
N#Cc1cncc(S(=O)(=O)N[C@@H](CC2CC2)C(=O)[O-])c1	ZINC000290651859	197777338	/nfs/dbraw/zinc/77/73/38/197777338.db2.gz	NADBKJSZJXHSKK-NSHDSACASA-N	-1	0	295.320	0.485	20	30		CCEDRM
C[C@@H]1[C@@H](C)CCCN1C(=O)Cn1cc(C#N)c(=O)[n-]c1=O	ZINC000602107422	362492187	/nfs/dbraw/zinc/49/21/87/362492187.db2.gz	DHNXGAMVMVZCBB-VHSXEESVSA-N	-1	0	290.323	0.468	20	30		CCEDRM
CCCN(CC(C)C)C(=O)Cn1cc(C#N)c(=O)[n-]c1=O	ZINC000602056125	362469830	/nfs/dbraw/zinc/46/98/30/362469830.db2.gz	ORNNMMYVJRDETE-UHFFFAOYSA-N	-1	0	292.339	0.715	20	30		CCEDRM
C[C@@H]1CCC[C@H](C)N1C(=O)Cn1cc(C#N)c(=O)[n-]c1=O	ZINC000602090956	362481065	/nfs/dbraw/zinc/48/10/65/362481065.db2.gz	FXYPFLXJYKFEML-AOOOYVTPSA-N	-1	0	290.323	0.610	20	30		CCEDRM
N#CCCN(CC1CC1)C(=O)CCCc1nnn[n-]1	ZINC000602091584	362482825	/nfs/dbraw/zinc/48/28/25/362482825.db2.gz	LGSQOLMSAVCUPB-UHFFFAOYSA-N	-1	0	262.317	0.675	20	30		CCEDRM
CC1(C)CCN(C(=O)Cn2cc(C#N)c(=O)[n-]c2=O)C1	ZINC000602110177	362494768	/nfs/dbraw/zinc/49/47/68/362494768.db2.gz	YSKWZALXZVWJFI-UHFFFAOYSA-N	-1	0	276.296	0.079	20	30		CCEDRM
C[C@@]1(C#N)CCCN(C(=O)CCCc2nnn[n-]2)C1	ZINC000602134876	362515040	/nfs/dbraw/zinc/51/50/40/362515040.db2.gz	GXDNXNVUQJOIAK-LBPRGKRZSA-N	-1	0	262.317	0.675	20	30		CCEDRM
CC(C)C1CN(C(=O)CCn2cc(C#N)c(=O)[n-]c2=O)C1	ZINC000602124538	362504734	/nfs/dbraw/zinc/50/47/34/362504734.db2.gz	GUGIHZDFOMZKLB-UHFFFAOYSA-N	-1	0	290.323	0.325	20	30		CCEDRM
CC[C@@H]1CC[C@H](C)N1C(=O)Cn1cc(C#N)c(=O)[n-]c1=O	ZINC000602132596	362510958	/nfs/dbraw/zinc/51/09/58/362510958.db2.gz	YDRNUZNKMORXKD-GXSJLCMTSA-N	-1	0	290.323	0.610	20	30		CCEDRM
C[C@]1(C(=O)[O-])CCN(S(=O)(=O)c2cncc(C#N)c2)C1	ZINC000261644087	137013432	/nfs/dbraw/zinc/01/34/32/137013432.db2.gz	CNKXFWQFBPFZMQ-LBPRGKRZSA-N	-1	0	295.320	0.439	20	30		CCEDRM
C[C@H](CO)C1CCN(C(=O)N=c2[n-]n(C)cc2C#N)CC1	ZINC000602886115	362865125	/nfs/dbraw/zinc/86/51/25/362865125.db2.gz	JGUINHSNWRMXGD-SNVBAGLBSA-N	-1	0	291.355	0.586	20	30		CCEDRM
C[C@@H]1CN(C(=O)N=c2[n-]n(C)cc2C#N)CC2(CCC2)O1	ZINC000602889140	362866990	/nfs/dbraw/zinc/86/69/90/362866990.db2.gz	XCKDOWCVJWVFBB-SNVBAGLBSA-N	-1	0	289.339	0.889	20	30		CCEDRM
N#Cc1cc(C(=O)NCCCc2n[nH]c(=O)[n-]2)c[nH]1	ZINC000346739919	137302970	/nfs/dbraw/zinc/30/29/70/137302970.db2.gz	LXOXSLWRZSHCHY-UHFFFAOYSA-N	-1	0	260.257	0.073	20	30		CCEDRM
CN1CC[C@H](C(=O)[N-]S(=O)(=O)c2cccnc2)CC1=O	ZINC000048532866	348413810	/nfs/dbraw/zinc/41/38/10/348413810.db2.gz	KEZUTEIHLCOYAN-VIFPVBQESA-N	-1	0	297.336	0.595	20	30		CCEDRM
N#Cc1nc(NC(=O)CCOC[C@@H]2CCCO2)[n-]c1C#N	ZINC000076359617	349080841	/nfs/dbraw/zinc/08/08/41/349080841.db2.gz	PTOKWDDVPJIUMY-VIFPVBQESA-N	-1	0	289.295	0.677	20	30		CCEDRM
C=CCC1(NC(=O)c2cc(=O)[nH][n-]2)CCOCC1	ZINC000618246244	365958500	/nfs/dbraw/zinc/95/85/00/365958500.db2.gz	AVGXYDWUJNAGPU-UHFFFAOYSA-N	-1	0	251.286	0.970	20	30		CCEDRM
C[C@@H](C(=O)[O-])N(C)C(=O)CNc1cccc(C#N)c1	ZINC000427972482	295798916	/nfs/dbraw/zinc/79/89/16/295798916.db2.gz	BBPURWBHHJROIG-VIFPVBQESA-N	-1	0	261.281	0.902	20	30		CCEDRM
N#Cc1cccc(CNC(=O)N2CC(C(=O)[O-])C2)c1	ZINC000090034706	349422501	/nfs/dbraw/zinc/42/25/01/349422501.db2.gz	WKCPTRRWSJIUFT-UHFFFAOYSA-N	-1	0	259.265	0.784	20	30		CCEDRM
N#Cc1ccc(C(=O)NC2(C(=O)[O-])CCOCC2)cc1	ZINC000131739577	350285047	/nfs/dbraw/zinc/28/50/47/350285047.db2.gz	MPRIWSDTPSYQQS-UHFFFAOYSA-N	-1	0	274.276	0.922	20	30		CCEDRM
Cn1cc(C#N)c([N-]S(=O)(=O)C[C@@H]2CCCO2)n1	ZINC000134979101	350381329	/nfs/dbraw/zinc/38/13/29/350381329.db2.gz	QMFDWCARIJIPLS-VIFPVBQESA-N	-1	0	270.314	0.212	20	30		CCEDRM
COC[C@@H](NC(=O)Nc1cccc(C#N)c1)C(=O)[O-]	ZINC000167412340	350809897	/nfs/dbraw/zinc/80/98/97/350809897.db2.gz	BTYBOFLNYQHTOE-SNVBAGLBSA-N	-1	0	263.253	0.779	20	30		CCEDRM
N#Cc1nc(NC(=O)CC[C@@H]2CCOC2)[n-]c1C#N	ZINC000175964416	351152373	/nfs/dbraw/zinc/15/23/73/351152373.db2.gz	PDDSSRBFBBGNJK-MRVPVSSYSA-N	-1	0	259.269	0.908	20	30		CCEDRM
C[NH+](C)C[C@@H]1CN(C(=O)c2ccc(C#N)c(O)c2)CCO1	ZINC000188514393	351603022	/nfs/dbraw/zinc/60/30/22/351603022.db2.gz	FNSZAJAUPDPKTI-CYBMUJFWSA-N	-1	0	289.335	0.666	20	30		CCEDRM
CC(C)OCCS(=O)(=O)[N-]c1nn(C)cc1C#N	ZINC000123406577	187089845	/nfs/dbraw/zinc/08/98/45/187089845.db2.gz	JHCKXAXEMFXSQF-UHFFFAOYSA-N	-1	0	272.330	0.458	20	30		CCEDRM
COc1ccc(S(=O)(=O)[N-]c2nn(C)cc2C#N)cn1	ZINC000194798847	351885610	/nfs/dbraw/zinc/88/56/10/351885610.db2.gz	QGZNGFONHMZZBJ-UHFFFAOYSA-N	-1	0	293.308	0.496	20	30		CCEDRM
CO[C@H](CNC(=O)COc1ccc(C#N)cc1)C(=O)[O-]	ZINC000227279931	352042964	/nfs/dbraw/zinc/04/29/64/352042964.db2.gz	XARAMBJCWIZCCM-LLVKDONJSA-N	-1	0	278.264	0.153	20	30		CCEDRM
Cc1cc(C#N)ccc1S(=O)(=O)NC[C@@H](C)C(=O)[O-]	ZINC000230039901	352100906	/nfs/dbraw/zinc/10/09/06/352100906.db2.gz	SUWHVNJPDUISHG-SECBINFHSA-N	-1	0	282.321	0.866	20	30		CCEDRM
C[C@@H]1CN(S(=O)(=O)c2ccc(C#N)cc2)C[C@H]1C(=O)[O-]	ZINC000235357509	352183004	/nfs/dbraw/zinc/18/30/04/352183004.db2.gz	PYNYYSDURKZXBU-BXKDBHETSA-N	-1	0	294.332	0.899	20	30		CCEDRM
C[C@@]1(NS(=O)(=O)c2cccnc2C#N)CCCOC1	ZINC000235468461	352184338	/nfs/dbraw/zinc/18/43/38/352184338.db2.gz	YIJOGBAHQXKPRP-GFCCVEGCSA-N	-1	0	281.337	0.801	20	30		CCEDRM
CC(C)[C@@](C)(C#N)NC(=O)[C@H](C)Sc1n[n-]c(=N)n1C	ZINC000603496801	363140085	/nfs/dbraw/zinc/14/00/85/363140085.db2.gz	BZKRLJMXFYZAOR-QPUJVOFHSA-N	-1	0	296.400	0.763	20	30		CCEDRM
CC#CC[C@H](NS(=O)(=O)CCCCC)C(=O)[O-]	ZINC000275055587	353182540	/nfs/dbraw/zinc/18/25/40/353182540.db2.gz	TWNOFVSPHNFGNV-JTQLQIEISA-N	-1	0	261.343	0.963	20	30		CCEDRM
Cc1nnc(N2CCC[C@@H](c3nc(=O)[n-][nH]3)C2)c(C#N)c1C	ZINC000285503362	353559901	/nfs/dbraw/zinc/55/99/01/353559901.db2.gz	FJTIELCMPPFSMO-SNVBAGLBSA-N	-1	0	299.338	0.761	20	30		CCEDRM
N#Cc1ccc(S(=O)(=O)[N-]C[C@H](O)C(F)(F)F)o1	ZINC000287659602	353660098	/nfs/dbraw/zinc/66/00/98/353660098.db2.gz	CPYPNHWQCWHMPH-LURJTMIESA-N	-1	0	284.215	0.353	20	30		CCEDRM
C=CCC1(NC(=O)c2n[nH]c(=O)[n-]c2=O)CCCC1	ZINC000619110882	366196625	/nfs/dbraw/zinc/19/66/25/366196625.db2.gz	KMPCFHLFWINSMP-UHFFFAOYSA-N	-1	0	264.285	0.902	20	30		CCEDRM
CCOCCS(=O)(=O)NCC(=O)c1ccc(C#N)cc1	ZINC000341063496	355597208	/nfs/dbraw/zinc/59/72/08/355597208.db2.gz	DXYFKXRPCAEUEB-UHFFFAOYSA-N	-1	0	296.348	0.697	20	30		CCEDRM
CSc1n[nH]c([N-]S(=O)(=O)c2ccc(C#N)nc2)n1	ZINC000341511006	355684768	/nfs/dbraw/zinc/68/47/68/355684768.db2.gz	JXTHHQWMYFJYLL-UHFFFAOYSA-N	-1	0	296.337	0.594	20	30		CCEDRM
C[C@H](NS(=O)(=O)c1ccc(C#N)c(F)c1)C(=O)[O-]	ZINC000427672525	235375717	/nfs/dbraw/zinc/37/57/17/235375717.db2.gz	NPFCPTQCTHFQDO-LURJTMIESA-N	-1	0	272.257	0.449	20	30		CCEDRM
CC(C)(NC(=O)c1ccc(C#N)nc1)c1nnn[n-]1	ZINC000354792337	356499350	/nfs/dbraw/zinc/49/93/50/356499350.db2.gz	PKRANTAOPDEDPP-UHFFFAOYSA-N	-1	0	257.257	0.131	20	30		CCEDRM
COC(=O)c1ccc(=NC(=O)N2CC[C@@](F)(C#N)C2)[n-]n1	ZINC000619636291	366307200	/nfs/dbraw/zinc/30/72/00/366307200.db2.gz	IQDMWWKCCGREHM-GFCCVEGCSA-N	-1	0	293.258	0.155	20	30		CCEDRM
COCCCN(CCOC)C(=O)N=c1[n-]n(C)cc1C#N	ZINC000610528172	363572717	/nfs/dbraw/zinc/57/27/17/363572717.db2.gz	SZVNIPDOXZHANG-UHFFFAOYSA-N	-1	0	295.343	0.230	20	30		CCEDRM
Cn1cc(C#N)c(=NC(=O)N[C@@H]2CCCC[C@H]2O)[n-]1	ZINC000610527965	363572520	/nfs/dbraw/zinc/57/25/20/363572520.db2.gz	CJNQSNZEIANCCC-NXEZZACHSA-N	-1	0	263.301	0.139	20	30		CCEDRM
Cn1cc(C#N)c(=NC(=O)NCCOc2ccccc2)[n-]1	ZINC000610527819	363573006	/nfs/dbraw/zinc/57/30/06/363573006.db2.gz	MFAWWCIVJDHCIR-UHFFFAOYSA-N	-1	0	285.307	0.914	20	30		CCEDRM
Cn1cc(C#N)c(=NC(=O)NCc2cccc(O)c2)[n-]1	ZINC000610561139	363576884	/nfs/dbraw/zinc/57/68/84/363576884.db2.gz	PSXURJPPZRSMND-UHFFFAOYSA-N	-1	0	271.280	0.741	20	30		CCEDRM
CN(C[C@H]1CCCCO1)C(=O)N=c1[n-]n(C)cc1C#N	ZINC000610562820	363578061	/nfs/dbraw/zinc/57/80/61/363578061.db2.gz	HXHJTTSQTRGEEP-LLVKDONJSA-N	-1	0	277.328	0.746	20	30		CCEDRM
C[C@@H]1OCC[C@H]1C(=O)N=c1[nH][n-]c(C2CC2)c1C#N	ZINC000408173212	357952951	/nfs/dbraw/zinc/95/29/51/357952951.db2.gz	HJZCKQXKEJPHMR-IONNQARKSA-N	-1	0	260.297	0.944	20	30		CCEDRM
CC[C@@](C)(CCO)NC(=O)N=c1[n-]n(C)cc1C#N	ZINC000610773216	363613037	/nfs/dbraw/zinc/61/30/37/363613037.db2.gz	NIQFWJSKHTYHDC-LBPRGKRZSA-N	-1	0	265.317	0.386	20	30		CCEDRM
C=CCN1C(=O)C(=O)N(Cc2cccc(C(=O)[O-])c2)C1=O	ZINC000557224983	358553896	/nfs/dbraw/zinc/55/38/96/358553896.db2.gz	GIKXZXDGLDPWQY-UHFFFAOYSA-N	-1	0	288.259	0.862	20	30		CCEDRM
C=C[C@@H](CCC(=O)[O-])NS(=O)(=O)N(C)CC	ZINC000563867926	358558306	/nfs/dbraw/zinc/55/83/06/358558306.db2.gz	GKQDGPNNUYHWOV-QMMMGPOBSA-N	-1	0	250.320	0.192	20	30		CCEDRM
Cn1cc(C#N)c(=NC(=O)N(CCCO)C2CC2)[n-]1	ZINC000610782510	363613979	/nfs/dbraw/zinc/61/39/79/363613979.db2.gz	IUSOTZVVNATZOL-UHFFFAOYSA-N	-1	0	263.301	0.092	20	30		CCEDRM
Cn1cc(C#N)c(=NC(=O)N[C@H]2CCCc3c[nH]nc32)[n-]1	ZINC000610821349	363617247	/nfs/dbraw/zinc/61/72/47/363617247.db2.gz	IKRCYOTVMJQXGP-JTQLQIEISA-N	-1	0	285.311	0.636	20	30		CCEDRM
CN(C)C(=O)C1(C(=O)N=c2[nH][n-]c(C3CC3)c2C#N)CC1	ZINC000571195039	358921737	/nfs/dbraw/zinc/92/17/37/358921737.db2.gz	OEAFLWFMGBHKHQ-UHFFFAOYSA-N	-1	0	287.323	0.388	20	30		CCEDRM
N#CCCCCS(=O)(=O)N1C[C@@H]2C[C@]2(C(=O)[O-])C1	ZINC000573854757	359005970	/nfs/dbraw/zinc/00/59/70/359005970.db2.gz	YIEKFDZVIVIKRL-ONGXEEELSA-N	-1	0	272.326	0.417	20	30		CCEDRM
C=CCCS(=O)(=O)N1CC[C@H](C)[C@H](C(=O)[O-])C1	ZINC000573967388	359016897	/nfs/dbraw/zinc/01/68/97/359016897.db2.gz	VVYAFKSDAPSCME-VHSXEESVSA-N	-1	0	261.343	0.935	20	30		CCEDRM
Cn1cc(C#N)c(=NC(=O)N[C@H](CO)CC(C)(C)C)[n-]1	ZINC000610949339	363636425	/nfs/dbraw/zinc/63/64/25/363636425.db2.gz	JOAFHYCWDPFFSF-JTQLQIEISA-N	-1	0	279.344	0.632	20	30		CCEDRM
N#CC1(CS(=O)(=O)NCC2(C(=O)[O-])CCC2)CC1	ZINC000585819428	359281587	/nfs/dbraw/zinc/28/15/87/359281587.db2.gz	KQOIGZUGZAYGPY-UHFFFAOYSA-N	-1	0	272.326	0.464	20	30		CCEDRM
CN(CC1(O)CCCC1)C(=O)N=c1[n-]n(C)cc1C#N	ZINC000611050025	363653593	/nfs/dbraw/zinc/65/35/93/363653593.db2.gz	ZSGPTMWFZSTRTM-UHFFFAOYSA-N	-1	0	277.328	0.482	20	30		CCEDRM
CC(C)[C@H](CO)CNC(=O)N=c1[n-]n(C)cc1C#N	ZINC000588259648	359319782	/nfs/dbraw/zinc/31/97/82/359319782.db2.gz	BTRBHKAYEGIGAL-JTQLQIEISA-N	-1	0	265.317	0.100	20	30		CCEDRM
CO[C@@H]1CCC[C@H]1NC(=O)N=c1[n-]n(C)cc1C#N	ZINC000590819225	359526192	/nfs/dbraw/zinc/52/61/92/359526192.db2.gz	AJFNJWOEODVEEL-NXEZZACHSA-N	-1	0	263.301	0.403	20	30		CCEDRM
Cn1cnc(=NC(=O)N[C@@H]2CCc3cc(C#N)ccc32)[n-]1	ZINC000590839322	359529722	/nfs/dbraw/zinc/52/97/22/359529722.db2.gz	ROOWNCQWYITRLF-GFCCVEGCSA-N	-1	0	282.307	0.918	20	30		CCEDRM
CC#CC[C@H](NS(=O)(=O)c1ccnn1CC)C(=O)[O-]	ZINC000274974949	192862344	/nfs/dbraw/zinc/86/23/44/192862344.db2.gz	JAIIXNUJDNTUPE-VIFPVBQESA-N	-1	0	285.325	0.048	20	30		CCEDRM
CC(=O)N1CCC[C@@H](C(=O)N=c2[n-]n(C)c(C)c2C#N)C1	ZINC000592645508	359908051	/nfs/dbraw/zinc/90/80/51/359908051.db2.gz	BFLHTYGSJHEYIT-LLVKDONJSA-N	-1	0	289.339	0.219	20	30		CCEDRM
CCn1cc(C(=O)N=c2[n-]n(C)c(C)c2C#N)cn1	ZINC000592646024	359908261	/nfs/dbraw/zinc/90/82/61/359908261.db2.gz	KUZFTPGNOHHUHV-UHFFFAOYSA-N	-1	0	258.285	0.491	20	30		CCEDRM
Cc1c(C#N)c(=NC(=O)[C@@H](C)n2cccn2)[n-]n1C	ZINC000592648318	359908326	/nfs/dbraw/zinc/90/83/26/359908326.db2.gz	XWGQYNWYEAQJML-SECBINFHSA-N	-1	0	258.285	0.418	20	30		CCEDRM
Cc1c(C#N)c(=NC(=O)[C@@H](C)Oc2ccccn2)[n-]n1C	ZINC000592649200	359909695	/nfs/dbraw/zinc/90/96/95/359909695.db2.gz	KQVFOLCCBUKPOF-SNVBAGLBSA-N	-1	0	285.307	0.823	20	30		CCEDRM
CCOCCN(C)C(=O)N=c1[n-]n(C)cc1C#N	ZINC000611322808	363707769	/nfs/dbraw/zinc/70/77/69/363707769.db2.gz	JOHLDSXYUKFLOS-UHFFFAOYSA-N	-1	0	251.290	0.214	20	30		CCEDRM
N#Cc1ccc(C(=O)N2CCC[C@@H](c3n[nH]c(=O)[n-]3)C2)cn1	ZINC000592796444	359939262	/nfs/dbraw/zinc/93/92/62/359939262.db2.gz	DIQMMSRQXYSANL-SNVBAGLBSA-N	-1	0	298.306	0.797	20	30		CCEDRM
N#Cc1sccc1S(=O)(=O)N[C@H]1C=C[C@H](C(=O)[O-])C1	ZINC000593258950	360057524	/nfs/dbraw/zinc/05/75/24/360057524.db2.gz	QRCRLUGXKRZLKB-YUMQZZPRSA-N	-1	0	298.345	0.927	20	30		CCEDRM
CC[C@H](C#N)C(=O)Nc1nnc([N-]S(C)(=O)=O)s1	ZINC000593415161	360083851	/nfs/dbraw/zinc/08/38/51/360083851.db2.gz	DKERSDWOMIDJPP-RXMQYKEDSA-N	-1	0	289.342	0.398	20	30		CCEDRM
COC(=O)c1ccc(=NC(=O)CCCCC#N)[n-]n1	ZINC000594017425	360236393	/nfs/dbraw/zinc/23/63/93/360236393.db2.gz	ZLIRJCVGYPBSAE-UHFFFAOYSA-N	-1	0	262.269	0.708	20	30		CCEDRM
Cc1nc(=NC(=O)N2Cc3ccc(C#N)cc3C2)[n-]n1C	ZINC000594109105	360247791	/nfs/dbraw/zinc/24/77/91/360247791.db2.gz	PVACNSLMIMUOPC-UHFFFAOYSA-N	-1	0	282.307	0.965	20	30		CCEDRM
C[C@@H](CNc1ncnc2c1cnn2CCC#N)C(=O)[O-]	ZINC000594546170	360328076	/nfs/dbraw/zinc/32/80/76/360328076.db2.gz	SZSWUKJHUAFTPR-QMMMGPOBSA-N	-1	0	274.284	0.873	20	30		CCEDRM
C[C@H](CNc1ncnc2c1cnn2CCC#N)C(=O)[O-]	ZINC000594546169	360328313	/nfs/dbraw/zinc/32/83/13/360328313.db2.gz	SZSWUKJHUAFTPR-MRVPVSSYSA-N	-1	0	274.284	0.873	20	30		CCEDRM
CO[C@H](CS(=O)(=O)N[C@@H](C#N)C(C)C)[C@@H]1CCOC1	ZINC000594723928	360368138	/nfs/dbraw/zinc/36/81/38/360368138.db2.gz	REISTGDAPZDRQH-GRYCIOLGSA-N	-1	0	290.385	0.505	20	30		CCEDRM
C[C@H](CC#N)[N-]S(=O)(=O)c1ncccc1[N+](=O)[O-]	ZINC000594751849	360375871	/nfs/dbraw/zinc/37/58/71/360375871.db2.gz	DWSGXPSNSVVUKK-SSDOTTSWSA-N	-1	0	270.270	0.570	20	30		CCEDRM
C[C@]1(C#N)CCN(C(=O)C(=O)N=c2ccc(C3CC3)n[n-]2)C1	ZINC000595213991	360451957	/nfs/dbraw/zinc/45/19/57/360451957.db2.gz	XWMDCBJIAOBXOM-OAHLLOKOSA-N	-1	0	299.334	0.477	20	30		CCEDRM
N#Cc1ccc(N2C[C@@H]3COC[C@]3(C(=O)[O-])C2)nc1	ZINC000595968472	360742576	/nfs/dbraw/zinc/74/25/76/360742576.db2.gz	RGNRGSHQBSHKAL-ZWNOBZJWSA-N	-1	0	259.265	0.491	20	30		CCEDRM
CCC[C@@H](C#N)NC(=O)c1cc(S(N)(=O)=O)ccc1[O-]	ZINC000597040178	360999697	/nfs/dbraw/zinc/99/96/97/360999697.db2.gz	SOBGCCLEAXYMKG-QMMMGPOBSA-N	-1	0	297.336	0.462	20	30		CCEDRM
CSc1[n-]c(=O)c(C(=O)N[C@H]2C[C@@H](O)C2)cc1C#N	ZINC000597409911	361088641	/nfs/dbraw/zinc/08/86/41/361088641.db2.gz	KPLCGYLGCQJHRM-OCAPTIKFSA-N	-1	0	279.321	0.634	20	30		CCEDRM
CO[C@@H]1CC[C@H](C(=O)Nc2nc(C#N)c(C#N)[n-]2)C1	ZINC000598662130	361474954	/nfs/dbraw/zinc/47/49/54/361474954.db2.gz	PSZBSNPULDXKBY-JGVFFNPUSA-N	-1	0	259.269	0.907	20	30		CCEDRM
N#CCc1ccc(CNC(=O)N2CC(C(=O)[O-])C2)cc1	ZINC000598684109	361481738	/nfs/dbraw/zinc/48/17/38/361481738.db2.gz	NZZKWCWHQNLEAT-UHFFFAOYSA-N	-1	0	273.292	0.979	20	30		CCEDRM
N#Cc1ccnc(C(=O)N=c2nc3n([n-]2)CCCC3)c1	ZINC000598838403	361524824	/nfs/dbraw/zinc/52/48/24/361524824.db2.gz	CEQQBSVEORNLRU-UHFFFAOYSA-N	-1	0	268.280	0.555	20	30		CCEDRM
C=CC[C@H](CC)NC(=O)C(=O)NC[C@H](C)C(=O)[O-]	ZINC000655985936	412724479	/nfs/dbraw/zinc/72/44/79/412724479.db2.gz	AUEANLNUBUOPEE-IUCAKERBSA-N	-1	0	256.302	0.294	20	30		CCEDRM
CC(C)[C@H](C#N)NC(=O)c1ccc([N-]S(C)(=O)=O)nc1	ZINC000599412276	361689887	/nfs/dbraw/zinc/68/98/87/361689887.db2.gz	MXENEGWZAPEHLR-JTQLQIEISA-N	-1	0	296.352	0.731	20	30		CCEDRM
C=CCCCCCNC(=O)C(=O)N1CCO[C@H](C(=O)[O-])C1	ZINC000655997461	412727618	/nfs/dbraw/zinc/72/76/18/412727618.db2.gz	IAYDUFONWCZOCR-NSHDSACASA-N	-1	0	298.339	0.161	20	30		CCEDRM
C=CC1CCN(C(=O)C(=O)NC[C@@H](C(=O)[O-])C(C)C)CC1	ZINC000656014386	412733600	/nfs/dbraw/zinc/73/36/00/412733600.db2.gz	SZJJCCOWDBSELQ-GFCCVEGCSA-N	-1	0	296.367	0.884	20	30		CCEDRM
O=C([N-]S(=O)(=O)c1ccccc1F)[C@H]1COCCO1	ZINC000048519206	260655832	/nfs/dbraw/zinc/65/58/32/260655832.db2.gz	KCOGBEAHYBAVNW-SECBINFHSA-N	-1	0	289.284	0.886	20	30		CCEDRM
C=C[C@@H]1OCCC[C@H]1NC(=O)N1CC(C(=O)[O-])C1	ZINC000621835564	366884475	/nfs/dbraw/zinc/88/44/75/366884475.db2.gz	FECFHHCOUKSDEI-ZJUUUORDSA-N	-1	0	254.286	0.446	20	30		CCEDRM
C=CC[C@H]1CCN(C(=O)C(=O)NCCC(=O)[O-])C1	ZINC000627277673	368941293	/nfs/dbraw/zinc/94/12/93/368941293.db2.gz	SXTYFUKCPARNPU-VIFPVBQESA-N	-1	0	254.286	0.002	20	30		CCEDRM
C=CC[C@@H]1CCN(C(=O)C(=O)NCCCC(=O)[O-])C1	ZINC000627276602	368941407	/nfs/dbraw/zinc/94/14/07/368941407.db2.gz	KKUDLYGIMLZAJW-SNVBAGLBSA-N	-1	0	268.313	0.392	20	30		CCEDRM
C[C@H](CC#N)N(C)S(=O)(=O)NC(C)(C)CC(=O)[O-]	ZINC000574329276	335010938	/nfs/dbraw/zinc/01/09/38/335010938.db2.gz	FDNVCBJWHTVTCC-MRVPVSSYSA-N	-1	0	277.346	0.308	20	30		CCEDRM
C=CC[C@@H](NS(=O)(=O)C[C@H](OCC)C1CC1)C(=O)[O-]	ZINC000629295203	369621849	/nfs/dbraw/zinc/62/18/49/369621849.db2.gz	GPPKDWPHJCMGOF-MNOVXSKESA-N	-1	0	291.369	0.750	20	30		CCEDRM
C=CCC1(NC(=O)c2cc(C(=O)[O-])nn2C)CCOCC1	ZINC000630206069	370007135	/nfs/dbraw/zinc/00/71/35/370007135.db2.gz	AMEFKQHJKHQIHK-UHFFFAOYSA-N	-1	0	293.323	0.973	20	30		CCEDRM
C=C(C)C[C@@H](NC(=O)CCC(=O)NCC)C(=O)[O-]	ZINC000630325402	370047622	/nfs/dbraw/zinc/04/76/22/370047622.db2.gz	JNZWVABCOIISRK-SECBINFHSA-N	-1	0	256.302	0.438	20	30		CCEDRM
C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)c1cnc(C(=O)[O-])cn1	ZINC000630303454	370037938	/nfs/dbraw/zinc/03/79/38/370037938.db2.gz	XZONAOOQIUIVCV-SKDRFNHKSA-N	-1	0	291.307	0.886	20	30		CCEDRM
C=C(C)C[C@H](NC(=O)c1ccc(=O)n(C)c1)C(=O)[O-]	ZINC000630317734	370044718	/nfs/dbraw/zinc/04/47/18/370044718.db2.gz	UEMMQCKOXAVGBJ-JTQLQIEISA-N	-1	0	264.281	0.535	20	30		CCEDRM
Cc1ncc(S(=O)(=O)[N-]c2nnc[nH]2)cc1C#N	ZINC000336787863	213620808	/nfs/dbraw/zinc/62/08/08/213620808.db2.gz	GBDBIQSTJSMIEK-UHFFFAOYSA-N	-1	0	264.270	0.181	20	30		CCEDRM
C=C(C)[C@H]1OCC[C@H]1CNC(=O)CCCc1nnn[n-]1	ZINC000635890052	373059252	/nfs/dbraw/zinc/05/92/52/373059252.db2.gz	PYZXRNIGNRYDIS-GXFFZTMASA-N	-1	0	279.344	0.620	20	30		CCEDRM
C=CCN(C(=O)CCCc1nnn[n-]1)[C@H](C)COC	ZINC000636161493	373419843	/nfs/dbraw/zinc/41/98/43/373419843.db2.gz	WJHSRFPAULPTQF-SNVBAGLBSA-N	-1	0	267.333	0.572	20	30		CCEDRM
C=CCCNC(=O)N[C@H](C(=O)[O-])c1ccn(C)n1	ZINC000656588183	412830834	/nfs/dbraw/zinc/83/08/34/412830834.db2.gz	FBFUYFRALIRARB-VIFPVBQESA-N	-1	0	252.274	0.421	20	30		CCEDRM
C=CCCCS(=O)(=O)N1CC2CC1(C(=O)[O-])C2	ZINC000656720224	412846497	/nfs/dbraw/zinc/84/64/97/412846497.db2.gz	QDMGMDJNMNOWRD-UHFFFAOYSA-N	-1	0	259.327	0.831	20	30		CCEDRM
C=C(C)[C@H](CC(=O)N(C)Cc1nc(=O)o[n-]1)OCC	ZINC000640463946	376382488	/nfs/dbraw/zinc/38/24/88/376382488.db2.gz	DYUKIPDLIJMJRQ-VIFPVBQESA-N	-1	0	269.301	0.693	20	30		CCEDRM
N#Cc1nccc(N2CCC[C@@H](c3n[nH]c(=O)[n-]3)C2)n1	ZINC000521645371	285285389	/nfs/dbraw/zinc/28/53/89/285285389.db2.gz	GCFYJXCJDQVGGP-MRVPVSSYSA-N	-1	0	271.284	0.556	20	30		CCEDRM
C#CCO[N-]C(=O)[C@H]1CSCN1C(=O)[C@H](C)CC	ZINC000291253775	388919405	/nfs/dbraw/zinc/91/94/05/388919405.db2.gz	MJDCACSJXDJDGS-NXEZZACHSA-N	-1	0	270.354	0.615	20	30		CCEDRM
C#CCO[N-]C(=O)[C@H](NC(=O)c1ccco1)C(C)C	ZINC000291288865	388920049	/nfs/dbraw/zinc/92/00/49/388920049.db2.gz	PHPQAIJLARIVJO-LLVKDONJSA-N	-1	0	264.281	0.715	20	30		CCEDRM
C=CCN(CC(=O)[O-])S(=O)(=O)c1cccnc1	ZINC000092463944	389028124	/nfs/dbraw/zinc/02/81/24/389028124.db2.gz	FGJXVGYIXHHFLE-UHFFFAOYSA-N	-1	0	256.283	0.343	20	30		CCEDRM
CC(C)(C#N)C(=O)Nc1n[nH]c(SCCO)n1	ZINC000120690116	389144746	/nfs/dbraw/zinc/14/47/46/389144746.db2.gz	CCOOACKWTINFCS-UHFFFAOYSA-N	-1	0	255.303	0.377	20	30		CCEDRM
C=CCN=c1[n-]nc(SCCn2cncn2)s1	ZINC000339628253	389136880	/nfs/dbraw/zinc/13/68/80/389136880.db2.gz	SHAXZOLTFYCSPE-UHFFFAOYSA-N	-1	0	268.371	0.942	20	30		CCEDRM
CCC[N@@H+]1CCC[C@H]1C/N=C(/[O-])c1cnc([O-])n(C)c1=O	ZINC000330671537	389251354	/nfs/dbraw/zinc/25/13/54/389251354.db2.gz	NCNISGHJNDBARI-JTQLQIEISA-N	-1	0	294.355	0.665	20	30		CCEDRM
CC(=O)N1CC(C([O-])=Nc2c(C)ccn(C)c2=O)C1	ZINC000329956392	389214376	/nfs/dbraw/zinc/21/43/76/389214376.db2.gz	PLKJOHAFYSOYHN-UHFFFAOYSA-N	-1	0	263.297	0.760	20	30		CCEDRM
C=CC[C@H](CO)CNC(=O)N=c1ccc(OC(C)C)n[n-]1	ZINC000346499814	389330025	/nfs/dbraw/zinc/33/00/25/389330025.db2.gz	CTBVDTGFYBDIKB-NSHDSACASA-N	-1	0	294.355	0.992	20	30		CCEDRM
COC[C@@](C)(NC(=O)COc1ccc(C#N)cc1)C(=O)[O-]	ZINC000262132219	389282267	/nfs/dbraw/zinc/28/22/67/389282267.db2.gz	DAOIHNFGXPSUHE-CQSZACIVSA-N	-1	0	292.291	0.543	20	30		CCEDRM
CN(CC#N)C(=O)c1cc(F)ccc1[N-]S(C)(=O)=O	ZINC000263667122	389301762	/nfs/dbraw/zinc/30/17/62/389301762.db2.gz	DUFUAEJXUWONCU-UHFFFAOYSA-N	-1	0	285.300	0.793	20	30		CCEDRM
CC1(C(=O)[N-]S(=O)(=O)c2cncc(C#N)c2)CC1	ZINC000408487403	389367100	/nfs/dbraw/zinc/36/71/00/389367100.db2.gz	LUFDVPOHYAETMX-UHFFFAOYSA-N	-1	0	265.294	0.558	20	30		CCEDRM
C[C@H](CN(C)S(=O)(=O)c1ccc(C#N)nc1)C(=O)[O-]	ZINC000159691008	389371447	/nfs/dbraw/zinc/37/14/47/389371447.db2.gz	QQGPGRSIKVQYLS-MRVPVSSYSA-N	-1	0	283.309	0.294	20	30		CCEDRM
C[C@H](C(=O)[O-])C1CN(S(=O)(=O)c2ccccc2C#N)C1	ZINC000165143949	389438232	/nfs/dbraw/zinc/43/82/32/389438232.db2.gz	DTSVAUHUJLSZQL-VIFPVBQESA-N	-1	0	294.332	0.899	20	30		CCEDRM
C=CCC1(C(=O)NC[C@@H](OC)C(=O)[O-])CCOCC1	ZINC000425245082	389642664	/nfs/dbraw/zinc/64/26/64/389642664.db2.gz	TWYDQGTYIBHHFO-SNVBAGLBSA-N	-1	0	271.313	0.575	20	30		CCEDRM
C=CCOc1ccccc1C(=O)NCCc1nc(=O)o[n-]1	ZINC000447636611	389960878	/nfs/dbraw/zinc/96/08/78/389960878.db2.gz	MOWDMUKCDJZVNH-UHFFFAOYSA-N	-1	0	289.291	0.900	20	30		CCEDRM
C=C(C)CNC(=O)N=c1ccc(-c2cnn(C)c2)n[n-]1	ZINC000433674434	389916878	/nfs/dbraw/zinc/91/68/78/389916878.db2.gz	KVHWGSXRYDYGGB-UHFFFAOYSA-N	-1	0	272.312	0.997	20	30		CCEDRM
C=CC[C@@H](CC)NC(=O)C(=O)N(C)CCCC(=O)[O-]	ZINC000420563763	390012732	/nfs/dbraw/zinc/01/27/32/390012732.db2.gz	PUEXYFQFPLNTSO-SNVBAGLBSA-N	-1	0	270.329	0.781	20	30		CCEDRM
C=CC[C@H](CC)NC(=O)C(=O)N1CC[C@@H](C(=O)[O-])C1	ZINC000420570687	390013231	/nfs/dbraw/zinc/01/32/31/390013231.db2.gz	WMNFSRAOZUQCMX-ZJUUUORDSA-N	-1	0	268.313	0.390	20	30		CCEDRM
N#Cc1ccc(C=CC(=O)NC2(c3nnn[n-]3)CC2)cc1	ZINC000493362267	390124129	/nfs/dbraw/zinc/12/41/29/390124129.db2.gz	BJWUNVBQFQOMRK-AATRIKPKSA-N	-1	0	280.291	0.890	20	30		CCEDRM
N#CC1(CS(=O)(=O)[N-]C(=O)/C=C\c2cccnc2)CC1	ZINC000493714520	390127584	/nfs/dbraw/zinc/12/75/84/390127584.db2.gz	ZJQAYWLXPMNCFK-ARJAWSKDSA-N	-1	0	291.332	0.845	20	30		CCEDRM
C[C@H](CC#N)N(C)S(=O)(=O)N1CC[C@@H](C)[C@H]1C(=O)[O-]	ZINC000578991116	390132110	/nfs/dbraw/zinc/13/21/10/390132110.db2.gz	CQFKSRGJIKTDKV-BBBLOLIVSA-N	-1	0	289.357	0.260	20	30		CCEDRM
CC#CC[C@H](NS(=O)(=O)N(C)CC1CC1)C(=O)[O-]	ZINC000543788508	390294161	/nfs/dbraw/zinc/29/41/61/390294161.db2.gz	SEWPJOLTFQCYFR-JTQLQIEISA-N	-1	0	274.342	0.029	20	30		CCEDRM
C=CC[C@H](C)NS(=O)(=O)N1CCC[C@@H]1C(=O)[O-]	ZINC000582238996	390271870	/nfs/dbraw/zinc/27/18/70/390271870.db2.gz	GSBKZIHVLNLHAV-DTWKUNHWSA-N	-1	0	262.331	0.334	20	30		CCEDRM
C#CCO[N-]C(=O)[C@H]1CCN1C(=O)OC(C)(C)C	ZINC000496001980	390281787	/nfs/dbraw/zinc/28/17/87/390281787.db2.gz	MARMGCVBLUDKJD-SECBINFHSA-N	-1	0	254.286	0.677	20	30		CCEDRM
C[C@@H](C#N)CN(C)S(=O)(=O)NC[C@@H](C)CCC(=O)[O-]	ZINC000584354302	390338545	/nfs/dbraw/zinc/33/85/45/390338545.db2.gz	IVTVPVOQWHPHRL-UWVGGRQHSA-N	-1	0	291.373	0.413	20	30		CCEDRM
C=CCOC[C@@H](NC(=O)NCC(C)(C)OCC)C(=O)[O-]	ZINC000562647220	390490469	/nfs/dbraw/zinc/49/04/69/390490469.db2.gz	BQBOYDUOJRBETJ-SNVBAGLBSA-N	-1	0	288.344	0.757	20	30		CCEDRM
C=CC[C@H](NS(=O)(=O)c1ccc(C)nc1)C(=O)[O-]	ZINC000646041136	390581140	/nfs/dbraw/zinc/58/11/40/390581140.db2.gz	XGDOCRLITWIJOC-JTQLQIEISA-N	-1	0	270.310	0.698	20	30		CCEDRM
C=CCC[C@H](NS(=O)(=O)[C@@H]1CCO[C@H]1C)C(=O)[O-]	ZINC000646044641	390583290	/nfs/dbraw/zinc/58/32/90/390583290.db2.gz	NGKPBSJACDZWGG-LPEHRKFASA-N	-1	0	277.342	0.503	20	30		CCEDRM
C=C[C@@H](CCC(=O)[O-])NS(=O)(=O)c1ccoc1	ZINC000565994904	390564852	/nfs/dbraw/zinc/56/48/52/390564852.db2.gz	KPBSVAXUCLFJAM-QMMMGPOBSA-N	-1	0	259.283	0.977	20	30		CCEDRM
C=C[C@@H]1OCC[C@H]1NC(=O)NCC1(C(=O)[O-])CCOCC1	ZINC000646160277	390620592	/nfs/dbraw/zinc/62/05/92/390620592.db2.gz	DBTVBOZQOZGQJK-MNOVXSKESA-N	-1	0	298.339	0.511	20	30		CCEDRM
Cc1cc(C)nc(N2CC(n3cc(C#N)c(=O)[n-]c3=O)C2)n1	ZINC000528115436	390732494	/nfs/dbraw/zinc/73/24/94/390732494.db2.gz	QQBZPAXOALTNCQ-UHFFFAOYSA-N	-1	0	298.306	0.289	20	30		CCEDRM
CCC(C#N)(CC)C(=O)[N-]S(=O)(=O)N1CCCC1	ZINC000528934457	390784250	/nfs/dbraw/zinc/78/42/50/390784250.db2.gz	WQBSIYQORNFKAW-UHFFFAOYSA-N	-1	0	273.358	0.773	20	30		CCEDRM
N#CCCCS(=O)(=O)N[C@H](CC1CCC1)C(=O)[O-]	ZINC000530421139	390876912	/nfs/dbraw/zinc/87/69/12/390876912.db2.gz	VTDHWMZTKASWQK-SNVBAGLBSA-N	-1	0	274.342	0.853	20	30		CCEDRM
C=CCN(CCOC)C(=O)C(=O)N[C@@H]1CC[C@H](C(=O)[O-])C1	ZINC000647592343	390845151	/nfs/dbraw/zinc/84/51/51/390845151.db2.gz	BOQOFZSFGSPALV-WDEREUQCSA-N	-1	0	298.339	0.017	20	30		CCEDRM
C=CCS(=O)(=O)[N-]C(=O)c1ccc(C)nc1OC	ZINC000777337457	581113267	/nfs/dbraw/zinc/11/32/67/581113267.db2.gz	PCIMAZJYHFHETG-UHFFFAOYSA-N	-1	0	270.310	0.644	20	30		CCEDRM
Cc1[n-][nH]c(=NC(=O)c2cccc3c2oc(=O)n3C)c1C#N	ZINC000357250364	144074432	/nfs/dbraw/zinc/07/44/32/144074432.db2.gz	YTCQZKXQVNLUTB-UHFFFAOYSA-N	-1	0	297.274	0.709	20	30		CCEDRM
N#Cc1ccc(NCCc2nc(=N)[n-]o2)cc1[N+](=O)[O-]	ZINC000357516493	144097865	/nfs/dbraw/zinc/09/78/65/144097865.db2.gz	RCYSOLBJQGAIFU-UHFFFAOYSA-N	-1	0	274.240	0.917	20	30		CCEDRM
N#Cc1sccc1S(=O)(=O)N1CCC[C@H]1C(=O)[O-]	ZINC000593266828	397584927	/nfs/dbraw/zinc/58/49/27/397584927.db2.gz	RLYVOEQPCKIFGN-ZETCQYMHSA-N	-1	0	286.334	0.857	20	30		CCEDRM
C[C@H](C(=O)N(C)C)S(=O)(=O)[N-]c1cc(C#N)ccn1	ZINC000284686425	196112232	/nfs/dbraw/zinc/11/22/32/196112232.db2.gz	GOTTZLLZINVJMT-MRVPVSSYSA-N	-1	0	282.325	0.172	20	30		CCEDRM
C=CCCn1cc(CS(=O)(=O)c2ncc[n-]2)nn1	ZINC000653487294	412305445	/nfs/dbraw/zinc/30/54/45/412305445.db2.gz	PZMNWZBWWNDGPO-UHFFFAOYSA-N	-1	0	267.314	0.551	20	30		CCEDRM
C=C(C)CCNC(=O)N1C[C@@H]2COC[C@]2(C(=O)[O-])C1	ZINC000659407178	413479257	/nfs/dbraw/zinc/47/92/57/413479257.db2.gz	ZKWLHNWHKQWDBK-ZWNOBZJWSA-N	-1	0	268.313	0.695	20	30		CCEDRM
C=C[C@@H](CCC(=O)[O-])NS(=O)(=O)N(C)C1CC1	ZINC000654787543	412438957	/nfs/dbraw/zinc/43/89/57/412438957.db2.gz	CCDDDZLLBHQAFO-QMMMGPOBSA-N	-1	0	262.331	0.334	20	30		CCEDRM
CCC(CC)(CC(=O)NCCn1cnc(C#N)n1)C(=O)[O-]	ZINC000285316997	196249428	/nfs/dbraw/zinc/24/94/28/196249428.db2.gz	ZKPGVPVFHLKXQD-UHFFFAOYSA-N	-1	0	293.327	0.547	20	30		CCEDRM
C=CC[C@@H](CC)NC(=O)C(=O)NCC1(C(=O)[O-])CCC1	ZINC000659652435	413758021	/nfs/dbraw/zinc/75/80/21/413758021.db2.gz	KDBIVNVIEQHFGY-SNVBAGLBSA-N	-1	0	282.340	0.828	20	30		CCEDRM
CC(C)N(CCC#N)S(=O)(=O)c1n[nH]cc1C(=O)[O-]	ZINC000037732072	173652516	/nfs/dbraw/zinc/65/25/16/173652516.db2.gz	FLNUAVRDEHAEHC-UHFFFAOYSA-N	-1	0	286.313	0.421	20	30		CCEDRM
C=CCOCCNC(=O)C[C@@]1(C(=O)[O-])CCOC1	ZINC000663230420	415022317	/nfs/dbraw/zinc/02/23/17/415022317.db2.gz	SQMKYFDNRFJJBW-LBPRGKRZSA-N	-1	0	257.286	0.187	20	30		CCEDRM
N#Cc1cc(S(=O)(=O)N2CC(C(=O)[O-])C2)ccc1F	ZINC000071173319	176053268	/nfs/dbraw/zinc/05/32/68/176053268.db2.gz	HBJQQKZGRLWWMI-UHFFFAOYSA-N	-1	0	284.268	0.402	20	30		CCEDRM
O=C(N=c1cn[n-]s1)N[C@H](CO)C1CCOCC1	ZINC000330266441	228085292	/nfs/dbraw/zinc/08/52/92/228085292.db2.gz	PYEIJSAPLCYGPQ-MRVPVSSYSA-N	-1	0	272.330	0.652	20	30		CCEDRM
C=CC[C@@H](NS(=O)(=O)c1cccnc1)C(=O)[O-]	ZINC000161295327	544704600	/nfs/dbraw/zinc/70/46/00/544704600.db2.gz	XVWYYONSUJORAK-SECBINFHSA-N	-1	0	256.283	0.389	20	30		CCEDRM
C=CCCS(=O)(=O)N1CCC(F)(F)[C@@H](C(=O)[O-])C1	ZINC000285093161	544963275	/nfs/dbraw/zinc/96/32/75/544963275.db2.gz	LRQDUSAKBDOYCC-MRVPVSSYSA-N	-1	0	283.296	0.934	20	30		CCEDRM
C#CCN(CC#N)S(=O)(=O)c1cc(C(=O)[O-])oc1C	ZINC000281048572	263066087	/nfs/dbraw/zinc/06/60/87/263066087.db2.gz	QGVCSAVFKPKVRK-UHFFFAOYSA-N	-1	0	282.277	0.434	20	30		CCEDRM
CO[C@@H](C)CS(=O)(=O)[N-]c1cc(C)n(CCC#N)n1	ZINC000282220379	263075220	/nfs/dbraw/zinc/07/52/20/263075220.db2.gz	NWFWDPYBTKQMOA-JTQLQIEISA-N	-1	0	286.357	0.882	20	30		CCEDRM
C=CCN(CCC#N)S(=O)(=O)c1cc(C(=O)[O-])n(C)c1	ZINC000291825729	263125914	/nfs/dbraw/zinc/12/59/14/263125914.db2.gz	CSRBJFJNOWJAEX-UHFFFAOYSA-N	-1	0	297.336	0.814	20	30		CCEDRM
CCOC(=O)CO/N=C(/C(=O)[N-]OC(C)C)c1cc[nH]n1	ZINC000297321533	263202974	/nfs/dbraw/zinc/20/29/74/263202974.db2.gz	WCZSLLBONQAPBX-RVDMUPIBSA-N	-1	0	298.299	0.150	20	30		CCEDRM
CCCN=c1[n-]nc(SCC(=O)NCC#N)s1	ZINC000342172327	263405004	/nfs/dbraw/zinc/40/50/04/263405004.db2.gz	YZNMTGYPLUXIIP-UHFFFAOYSA-N	-1	0	271.371	0.514	20	30		CCEDRM
C=CCCO[C@@H](C)C(=O)Nc1ccn(CC(=O)[O-])n1	ZINC000122859116	263805564	/nfs/dbraw/zinc/80/55/64/263805564.db2.gz	AQIYZDFXGWFIDU-VIFPVBQESA-N	-1	0	267.285	0.887	20	30		CCEDRM
CC(C)(C)n1cc(C(=O)NCc2n[nH]c(=O)[n-]2)cn1	ZINC000331077011	264114907	/nfs/dbraw/zinc/11/49/07/264114907.db2.gz	LZSPDRCSQLHGJR-UHFFFAOYSA-N	-1	0	264.289	0.967	20	30		CCEDRM
C[C@H](C[S@](C)=O)N(C)C(=O)N=c1cn[n-]s1	ZINC000331133946	264134678	/nfs/dbraw/zinc/13/46/78/264134678.db2.gz	CDZVYUBBWDJUSS-KXHHVGMCSA-N	-1	0	262.360	0.782	20	30		CCEDRM
C[C@H](/N=C(/[O-])c1cnc([O-])n(C)c1=O)C(C)(C)C[NH+](C)C	ZINC000331271219	264169034	/nfs/dbraw/zinc/16/90/34/264169034.db2.gz	BGYKOWALUKRBCQ-VIFPVBQESA-N	-1	0	296.371	0.767	20	30		CCEDRM
C=C[C@@](C)(O)CC(=O)N1CCC[C@H](c2n[n-]c(=O)o2)C1	ZINC000331244852	264178589	/nfs/dbraw/zinc/17/85/89/264178589.db2.gz	QXJRRVSONMLFRS-TVQRCGJNSA-N	-1	0	281.312	0.808	20	30		CCEDRM
C=CCC[C@@H](NS(=O)(=O)C[C@H](C)COCC)C(=O)[O-]	ZINC000518973468	265266083	/nfs/dbraw/zinc/26/60/83/265266083.db2.gz	XVBUHTQWTCJMHB-GHMZBOCLSA-N	-1	0	293.385	0.998	20	30		CCEDRM
COC(=O)CN(CC#N)C(=O)c1cc([O-])cc([N+](=O)[O-])c1	ZINC000356814284	266179432	/nfs/dbraw/zinc/17/94/32/266179432.db2.gz	ALLPHUKWDPZWGK-UHFFFAOYSA-N	-1	0	293.235	0.439	20	30		CCEDRM
N#CCC1(CNC(=O)CSc2n[nH]c(=O)[n-]2)CC1	ZINC000357687281	266347678	/nfs/dbraw/zinc/34/76/78/266347678.db2.gz	ADMQYXMUMPLSOQ-UHFFFAOYSA-N	-1	0	267.314	0.412	20	30		CCEDRM
C=CCCS(=O)(=O)N1CC[C@H](C(=O)[O-])[C@H](C)C1	ZINC000276102589	277835245	/nfs/dbraw/zinc/83/52/45/277835245.db2.gz	JBLUTHHHJJLZMW-ZJUUUORDSA-N	-1	0	261.343	0.935	20	30		CCEDRM
N#Cc1ccccc1S(=O)(=O)N1CCC[C@@H]1C(=O)[O-]	ZINC000021499724	303206935	/nfs/dbraw/zinc/20/69/35/303206935.db2.gz	UORHINWOZDMPJN-SNVBAGLBSA-N	-1	0	280.305	0.796	20	30		CCEDRM
N#Cc1nc(NC(=O)[C@@H]2CCCCS2(=O)=O)[n-]c1C#N	ZINC000361387041	303215995	/nfs/dbraw/zinc/21/59/95/303215995.db2.gz	SDMTVYXEKSQRLM-VIFPVBQESA-N	-1	0	293.308	0.059	20	30		CCEDRM
O=C(N=c1cn[n-]s1)N1CCN2CCOC[C@H]2C1	ZINC000330251621	304819924	/nfs/dbraw/zinc/81/99/24/304819924.db2.gz	HUICNIHFFPUTAQ-MRVPVSSYSA-N	-1	0	269.330	0.100	20	30		CCEDRM
O=C(N=c1cn[n-]s1)N1CCOC[C@@H]1[C@@H]1CCC[C@@H]1O	ZINC000329032544	304819941	/nfs/dbraw/zinc/81/99/41/304819941.db2.gz	LTZCBWMELIDVLA-AEJSXWLSSA-N	-1	0	298.368	0.945	20	30		CCEDRM
C[C@]1(C(=O)[O-])CCCN1S(=O)(=O)CC1(CC#N)CC1	ZINC000571289278	328098414	/nfs/dbraw/zinc/09/84/14/328098414.db2.gz	WKSTXKHTSMWPFV-LLVKDONJSA-N	-1	0	286.353	0.949	20	30		CCEDRM
C=CCn1cc(CNC(=O)[C@H](C(=O)[O-])C(C)C)nn1	ZINC000571326418	328107670	/nfs/dbraw/zinc/10/76/70/328107670.db2.gz	FNFRGSOLWWJOEF-SNVBAGLBSA-N	-1	0	266.301	0.437	20	30		CCEDRM
C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)N[C@]1(C(=O)[O-])CCOC1	ZINC000571617994	328138259	/nfs/dbraw/zinc/13/82/59/328138259.db2.gz	JBAOHMWBPLXBEO-UHIISALHSA-N	-1	0	298.339	0.511	20	30		CCEDRM
Cc1[n-][nH]c(=NC(=O)c2cnn(C)c2C(F)F)c1C#N	ZINC000576016368	327008206	/nfs/dbraw/zinc/00/82/06/327008206.db2.gz	JYQARGPHNGEUBR-UHFFFAOYSA-N	-1	0	280.238	0.935	20	30		CCEDRM
C=C(C)CS(=O)(=O)N[C@H](C(=O)[O-])[C@@H]1CCCOC1	ZINC000569336814	327030608	/nfs/dbraw/zinc/03/06/08/327030608.db2.gz	OLMFNYNUMATGEW-ZJUUUORDSA-N	-1	0	277.342	0.362	20	30		CCEDRM
C=CCS(=O)(=O)[N-]C(=O)[C@@H]1CCC[C@H](OC)C1	ZINC000408132866	327107309	/nfs/dbraw/zinc/10/73/09/327107309.db2.gz	MGVYNUYMAAZGJI-ZJUUUORDSA-N	-1	0	261.343	0.824	20	30		CCEDRM
C=C[C@H](CCC(=O)[O-])NS(=O)(=O)c1cccc(N)c1	ZINC000560492929	327314716	/nfs/dbraw/zinc/31/47/16/327314716.db2.gz	KKXDLKFXZJVGPL-SNVBAGLBSA-N	-1	0	284.337	0.967	20	30		CCEDRM
C[C@@H](C(=O)[O-])[C@H](C)NS(=O)(=O)N(C)C[C@H](C)C#N	ZINC000572965730	327535725	/nfs/dbraw/zinc/53/57/25/327535725.db2.gz	YZKJEMSVKDPGHE-HLTSFMKQSA-N	-1	0	277.346	0.021	20	30		CCEDRM
C=CC[C@H](CC)NC(=O)N1CCOC[C@@H]1C(=O)[O-]	ZINC000393761540	329089555	/nfs/dbraw/zinc/08/95/55/329089555.db2.gz	MYEDBOQMQJSHIK-VHSXEESVSA-N	-1	0	256.302	0.836	20	30		CCEDRM
N#Cc1cccc([N-]S(=O)(=O)c2cnc3n2CCC3)n1	ZINC000582666263	329121864	/nfs/dbraw/zinc/12/18/64/329121864.db2.gz	MOOLQPRNZUGAMQ-UHFFFAOYSA-N	-1	0	289.320	0.897	20	30		CCEDRM
C=C[C@H](CCC(=O)[O-])NS(=O)(=O)c1c(C)n[nH]c1C	ZINC000583009087	329301999	/nfs/dbraw/zinc/30/19/99/329301999.db2.gz	GSTFYFNDIUSQPV-SECBINFHSA-N	-1	0	287.341	0.724	20	30		CCEDRM
C=CCCS(=O)(=O)N[C@]1(CC(=O)[O-])CCOC1	ZINC000583748220	329472436	/nfs/dbraw/zinc/47/24/36/329472436.db2.gz	VDFOGXFXINIZJR-JTQLQIEISA-N	-1	0	263.315	0.116	20	30		CCEDRM
C=CCn1cc(CNC(=O)CCCCC(=O)[O-])nn1	ZINC000425260730	329651935	/nfs/dbraw/zinc/65/19/35/329651935.db2.gz	VMVNGASFYYJQLO-UHFFFAOYSA-N	-1	0	266.301	0.725	20	30		CCEDRM
CC(C)C[C@@H](NS(=O)(=O)CC1(C#N)CC1)C(=O)[O-]	ZINC000262406548	330008388	/nfs/dbraw/zinc/00/83/88/330008388.db2.gz	KVJGVMLZBBULAQ-SECBINFHSA-N	-1	0	274.342	0.709	20	30		CCEDRM
C=CCC[C@@H](NC(=O)c1ccc(C(=O)NC)nc1)C(=O)[O-]	ZINC000262873507	330035791	/nfs/dbraw/zinc/03/57/91/330035791.db2.gz	JWSDWMGARFTURF-LLVKDONJSA-N	-1	0	291.307	0.590	20	30		CCEDRM
C=CCOC[C@H](NC(=O)c1cc(C2CC2)n[nH]1)C(=O)[O-]	ZINC000262912557	330036646	/nfs/dbraw/zinc/03/66/46/330036646.db2.gz	FNJJMLIGZOFKMZ-NSHDSACASA-N	-1	0	279.296	0.673	20	30		CCEDRM
C=CCC[C@@H](NC(=O)c1nccnc1N)C(=O)[O-]	ZINC000263007892	330038642	/nfs/dbraw/zinc/03/86/42/330038642.db2.gz	WYBLNBWBKXBIML-SSDOTTSWSA-N	-1	0	250.258	0.208	20	30		CCEDRM
C=CCOC[C@@H](NC(=O)c1ccoc1C)C(=O)[O-]	ZINC000263039134	330040173	/nfs/dbraw/zinc/04/01/73/330040173.db2.gz	PBBKGRMXIAMWPG-SNVBAGLBSA-N	-1	0	253.254	0.974	20	30		CCEDRM
C[C@@H]1C[C@@H](C(=O)[O-])CN(S(=O)(=O)CC2(C#N)CC2)C1	ZINC000263074081	330042053	/nfs/dbraw/zinc/04/20/53/330042053.db2.gz	ATTYXJHIESTPCB-NXEZZACHSA-N	-1	0	286.353	0.663	20	30		CCEDRM
C[C@@H]1CC[C@@H](C(=O)[O-])CN1S(=O)(=O)CCCC#N	ZINC000263159227	330046633	/nfs/dbraw/zinc/04/66/33/330046633.db2.gz	QJIISKMRHHAKBC-NXEZZACHSA-N	-1	0	274.342	0.805	20	30		CCEDRM
C=CCOC[C@H](NC(=O)[C@@H]1C[C@@H]1OCC)C(=O)[O-]	ZINC000263176029	330047489	/nfs/dbraw/zinc/04/74/89/330047489.db2.gz	ZFPPOXGGYWBOHQ-UTLUCORTSA-N	-1	0	257.286	0.183	20	30		CCEDRM
C=CCOC[C@H](NC(=O)[C@H]1C[C@@H]1OCC)C(=O)[O-]	ZINC000263176024	330047518	/nfs/dbraw/zinc/04/75/18/330047518.db2.gz	ZFPPOXGGYWBOHQ-GUBZILKMSA-N	-1	0	257.286	0.183	20	30		CCEDRM
C[C@]1(C(=O)[O-])CCCN(S(=O)(=O)CC2(C#N)CC2)C1	ZINC000548244259	330050461	/nfs/dbraw/zinc/05/04/61/330050461.db2.gz	JIFBXVSRNUXVFK-NSHDSACASA-N	-1	0	286.353	0.807	20	30		CCEDRM
C=C[C@@H]1OCC[C@H]1NC(=O)N(C)C[C@H](C)C(=O)[O-]	ZINC000263330002	330052425	/nfs/dbraw/zinc/05/24/25/330052425.db2.gz	CDCGVDNYGRDHMX-AEJSXWLSSA-N	-1	0	256.302	0.692	20	30		CCEDRM
C=C[C@@H]1OCCC[C@H]1NC(=O)N(C)CCC(=O)[O-]	ZINC000263363946	330053182	/nfs/dbraw/zinc/05/31/82/330053182.db2.gz	LAIJTHGFOXQTML-ZJUUUORDSA-N	-1	0	256.302	0.836	20	30		CCEDRM
C=C(C)[C@H]1OCC[C@H]1CNC(=O)NCCC(=O)[O-]	ZINC000263413129	330054594	/nfs/dbraw/zinc/05/45/94/330054594.db2.gz	VIDWSNJJIZMROB-GXSJLCMTSA-N	-1	0	256.302	0.742	20	30		CCEDRM
N#CC1(CS(=O)(=O)N2C[C@@H]3CCC[C@@]3(C(=O)[O-])C2)CC1	ZINC000263507182	330058411	/nfs/dbraw/zinc/05/84/11/330058411.db2.gz	WCLLLPGURIJUMI-GXFFZTMASA-N	-1	0	298.364	0.807	20	30		CCEDRM
C=CCN(C(=O)C(=O)N1C[C@H](C)C[C@@H](C(=O)[O-])C1)C1CC1	ZINC000422909564	330159708	/nfs/dbraw/zinc/15/97/08/330159708.db2.gz	GIRDRXYWVOSRMA-GHMZBOCLSA-N	-1	0	294.351	0.733	20	30		CCEDRM
C=C[C@H](C)[C@H](NC(=O)c1noc2c1COCC2)C(=O)[O-]	ZINC000527595250	330264918	/nfs/dbraw/zinc/26/49/18/330264918.db2.gz	PIXYRKZJIKPJEF-XVKPBYJWSA-N	-1	0	280.280	0.752	20	30		CCEDRM
C=CCCn1cc(C(=O)N2CCC[C@@H]2C(=O)[O-])nn1	ZINC000424222249	330330016	/nfs/dbraw/zinc/33/00/16/330330016.db2.gz	DORRBMKBOHQLFD-SNVBAGLBSA-N	-1	0	264.285	0.543	20	30		CCEDRM
C=CCCn1cc(C(=O)N2C[C@@H](C)[C@H](C(=O)[O-])C2)nn1	ZINC000424244145	330331314	/nfs/dbraw/zinc/33/13/14/330331314.db2.gz	KQWIYDYRPHDDIB-NXEZZACHSA-N	-1	0	278.312	0.647	20	30		CCEDRM
N#C[C@H]1CC[C@@H](NC(=O)c2cnc(C(=O)[O-])cn2)C1	ZINC000424382812	330349562	/nfs/dbraw/zinc/34/95/62/330349562.db2.gz	SWSISXOKZMBEJY-JGVFFNPUSA-N	-1	0	260.253	0.597	20	30		CCEDRM
C=CCn1cc(CNC(=O)[C@H]2CC[C@H]2C(=O)[O-])nn1	ZINC000424542408	330371926	/nfs/dbraw/zinc/37/19/26/330371926.db2.gz	WHWHLTONEWPNBE-VHSXEESVSA-N	-1	0	264.285	0.191	20	30		CCEDRM
C=CC[C@@H](CO)CNS(=O)(=O)[N-]CC(F)(F)F	ZINC000443055493	330793375	/nfs/dbraw/zinc/79/33/75/330793375.db2.gz	YWNOXWGLUACWIP-SSDOTTSWSA-N	-1	0	276.280	0.157	20	30		CCEDRM
CCN(CCC#N)C(=O)C(=O)N=c1ncn(C(C)(C)C)[n-]1	ZINC000446878962	330856995	/nfs/dbraw/zinc/85/69/95/330856995.db2.gz	HLDMWTDTIOJVIB-UHFFFAOYSA-N	-1	0	292.343	0.156	20	30		CCEDRM
C#CCNS(=O)(=O)c1ccc(C)cc1[N+](=O)[O-]	ZINC000490603473	332094537	/nfs/dbraw/zinc/09/45/37/332094537.db2.gz	CTXCNVSZHCDVAC-UHFFFAOYSA-N	-1	0	254.267	0.815	20	30		CCEDRM
CNC(=O)C(C#N)=C([O-])c1ccc(NC(=O)OC)cc1	ZINC000490652355	332100159	/nfs/dbraw/zinc/10/01/59/332100159.db2.gz	PYJXYMOHFYAIRJ-JTQLQIEISA-N	-1	0	275.264	0.933	20	30		CCEDRM
C#C[C@@H]1COCCN1C(=O)N=c1nc(CCC)[n-]s1	ZINC000491653284	332265925	/nfs/dbraw/zinc/26/59/25/332265925.db2.gz	CKVAGFPRFYAJPB-SECBINFHSA-N	-1	0	280.353	0.778	20	30		CCEDRM
C#C[C@@H](CCC)NC(=O)c1c[nH]c2nc(=O)[n-]c(=O)c-2c1	ZINC000491812570	332364708	/nfs/dbraw/zinc/36/47/08/332364708.db2.gz	OCTJLNCFIYVXDX-VIFPVBQESA-N	-1	0	286.291	0.968	20	30		CCEDRM
C#CCCS(=O)(=O)[N-]C(=O)/C=C\c1cnn(C)c1C	ZINC000493446958	332440560	/nfs/dbraw/zinc/44/05/60/332440560.db2.gz	FYQCVWWZEVXVRL-SREVYHEPSA-N	-1	0	281.337	0.211	20	30		CCEDRM
C=CCN(CC(=O)[O-])S(=O)(=O)c1cnccc1C	ZINC000575865469	335125263	/nfs/dbraw/zinc/12/52/63/335125263.db2.gz	CZYWYRWZZCAUBW-UHFFFAOYSA-N	-1	0	270.310	0.651	20	30		CCEDRM
C=C[C@@H]1OCC[C@H]1C(=O)N1CCC[C@H](c2n[nH]c(=O)[n-]2)C1	ZINC000575925523	335131959	/nfs/dbraw/zinc/13/19/59/335131959.db2.gz	RJUMATNEXZBWOW-AXFHLTTASA-N	-1	0	292.339	0.807	20	30		CCEDRM
CC[C@](C)(C#N)NC(=O)Cc1n[n-]c(=NC)s1	ZINC000544738797	333944867	/nfs/dbraw/zinc/94/48/67/333944867.db2.gz	JMYNAQSSCHGEMC-SNVBAGLBSA-N	-1	0	253.331	0.353	20	30		CCEDRM
CSCC[C@@H](NS(=O)(=O)CC1(C#N)CC1)C(=O)[O-]	ZINC000548533375	334162315	/nfs/dbraw/zinc/16/23/15/334162315.db2.gz	HBUGRSGDHOXVNN-MRVPVSSYSA-N	-1	0	292.382	0.416	20	30		CCEDRM
CN(CCC#N)S(=O)(=O)N[C@H]1CCC[C@@]1(C)C(=O)[O-]	ZINC000548545856	334162484	/nfs/dbraw/zinc/16/24/84/334162484.db2.gz	WFBGEIGKDPLUIA-GXSJLCMTSA-N	-1	0	289.357	0.310	20	30		CCEDRM
C[C@H]1CCN(S(=O)(=O)CCCCC#N)[C@@H]1C(=O)[O-]	ZINC000548575997	334162855	/nfs/dbraw/zinc/16/28/55/334162855.db2.gz	GEIQYIJDDYCTGO-UWVGGRQHSA-N	-1	0	274.342	0.805	20	30		CCEDRM
N#CC1(CS(=O)(=O)NC2(C(=O)[O-])CCC2)CCCC1	ZINC000564784401	334520566	/nfs/dbraw/zinc/52/05/66/334520566.db2.gz	COHSIESSESGHIR-UHFFFAOYSA-N	-1	0	286.353	0.997	20	30		CCEDRM
C=CCC[C@H](NC(=O)[C@@H]1OC[C@H]2COCC[C@H]21)C(=O)[O-]	ZINC000565718769	334591095	/nfs/dbraw/zinc/59/10/95/334591095.db2.gz	PWPUSJIHEKKFCS-WISYIIOYSA-N	-1	0	283.324	0.574	20	30		CCEDRM
C=CCC[C@@H](NS(=O)(=O)Cc1cc(C)no1)C(=O)[O-]	ZINC000566061503	334619161	/nfs/dbraw/zinc/61/91/61/334619161.db2.gz	TWDONMIOINQCRR-SNVBAGLBSA-N	-1	0	288.325	0.822	20	30		CCEDRM
C[C@@H](C#N)CN(C)S(=O)(=O)N1CCC[C@]1(C)C(=O)[O-]	ZINC000567052586	334677023	/nfs/dbraw/zinc/67/70/23/334677023.db2.gz	DEFPPLXQLDWJBM-GXSJLCMTSA-N	-1	0	289.357	0.262	20	30		CCEDRM
C=C[C@@H](CCC(=O)[O-])NS(=O)(=O)c1ccc(N)cc1	ZINC000567328717	334703956	/nfs/dbraw/zinc/70/39/56/334703956.db2.gz	XRAKBNNSJIENSJ-JTQLQIEISA-N	-1	0	284.337	0.967	20	30		CCEDRM
C=C(C)CS(=O)(=O)N1C[C@H](C(=O)[O-])[C@]2(CCOC2)C1	ZINC000567506154	334726683	/nfs/dbraw/zinc/72/66/83/334726683.db2.gz	FNLLHPARTDTISD-ZYHUDNBSSA-N	-1	0	289.353	0.315	20	30		CCEDRM
CC[C@H](CS(=O)(=O)[N-]c1nn(C)cc1C#N)OC	ZINC000576349047	335192893	/nfs/dbraw/zinc/19/28/93/335192893.db2.gz	CIQILSKZUUVIAM-SECBINFHSA-N	-1	0	272.330	0.458	20	30		CCEDRM
N#CCC1(CS(=O)(=O)N[C@@H]2C=C[C@H](C(=O)[O-])C2)CC1	ZINC000577066758	335294728	/nfs/dbraw/zinc/29/47/28/335294728.db2.gz	NAAXJIJRDVDSIY-VHSXEESVSA-N	-1	0	284.337	0.629	20	30		CCEDRM
C=CCNS(=O)(=O)c1ccc2c(c1)C[C@H](C(=O)[O-])O2	ZINC000578354300	335618781	/nfs/dbraw/zinc/61/87/81/335618781.db2.gz	WOTOFSQXBBTODW-LLVKDONJSA-N	-1	0	283.305	0.539	20	30		CCEDRM
C=C1CCN(S(=O)(=O)N2CCC[C@H](C(=O)[O-])C2)CC1	ZINC000382527711	336092497	/nfs/dbraw/zinc/09/24/97/336092497.db2.gz	HYNFPAHPIVDVOX-NSHDSACASA-N	-1	0	288.369	0.680	20	30		CCEDRM
CCN(C[C@H](C)C#N)S(=O)(=O)N[C@H]1C[C@H](C(=O)[O-])C1	ZINC000581551989	336101467	/nfs/dbraw/zinc/10/14/67/336101467.db2.gz	GZKPZEVDVQTSQB-OPRDCNLKSA-N	-1	0	289.357	0.166	20	30		CCEDRM
N#Cc1cncc(N2CCC[C@H](c3n[nH]c(=O)[n-]3)C2)n1	ZINC000581881163	336158477	/nfs/dbraw/zinc/15/84/77/336158477.db2.gz	DLSOGMAMCGZTTB-QMMMGPOBSA-N	-1	0	271.284	0.556	20	30		CCEDRM
COCC[C@@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)[O-]	ZINC000052785968	521859585	/nfs/dbraw/zinc/85/95/85/521859585.db2.gz	SCIOPVWYPCTRQB-LLVKDONJSA-N	-1	0	298.320	0.326	20	30		CCEDRM
C=CCOC[C@H](NC(=O)[C@@H](OC)[C@H](C)CC)C(=O)[O-]	ZINC000668289989	545171371	/nfs/dbraw/zinc/17/13/71/545171371.db2.gz	IAECUQOLXNSVSR-VWYCJHECSA-N	-1	0	273.329	0.820	20	30		CCEDRM
C=CCOC[C@H](NC(=O)c1nccnc1C)C(=O)[O-]	ZINC000668289855	545171389	/nfs/dbraw/zinc/17/13/89/545171389.db2.gz	FNGFBAJQMVNWHZ-VIFPVBQESA-N	-1	0	265.269	0.171	20	30		CCEDRM
Cn1ccnc(N=NCc2ccc(O)c(C(=O)[O-])c2)c1=O	ZINC000777438644	581115771	/nfs/dbraw/zinc/11/57/71/581115771.db2.gz	JBTWPPVPNPGRHJ-UHFFFAOYSA-N	-1	0	288.263	0.630	20	30		CCEDRM
C[C@H]1OC(=O)N[C@@H]1C(=O)Nc1cc(C#N)ccc1[O-]	ZINC000788662814	581120791	/nfs/dbraw/zinc/12/07/91/581120791.db2.gz	ZRNDNLZGOAPAPK-LDWIPMOCSA-N	-1	0	261.237	0.699	20	30		CCEDRM
CCN(C[C@H](C)C#N)C(=O)CN1CCN(C(=O)[O-])[C@@H](C)C1	ZINC000739402902	581131096	/nfs/dbraw/zinc/13/10/96/581131096.db2.gz	IDWCVSHYWGBUOI-NEPJUHHUSA-N	-1	0	296.371	0.679	20	30		CCEDRM
CCN(C[C@H](C)C#N)C(=O)CN1CC[C@H](NC(=O)[O-])C1	ZINC000739404857	581132110	/nfs/dbraw/zinc/13/21/10/581132110.db2.gz	SAVGPSNILGYQSH-MNOVXSKESA-N	-1	0	282.344	0.336	20	30		CCEDRM
C[C@H]1C[C@@H](NS(=O)(=O)Cc2ccc(C#N)cc2)C(=O)O1	ZINC000784108917	581165842	/nfs/dbraw/zinc/16/58/42/581165842.db2.gz	WCRDITVCPKZERR-JOYOIKCWSA-N	-1	0	294.332	0.682	20	30		CCEDRM
N#C[C@@H]1CN(CC(=O)Nc2ccsc2C(=O)[O-])CCO1	ZINC000739069872	581166328	/nfs/dbraw/zinc/16/63/28/581166328.db2.gz	URYCAIPTLRMNRD-MRVPVSSYSA-N	-1	0	295.320	0.609	20	30		CCEDRM
N#CCN(CC(=O)[O-])C(=O)C[C@H]1C(=O)Nc2ccccc21	ZINC000739078131	581172193	/nfs/dbraw/zinc/17/21/93/581172193.db2.gz	YEGZFIVIUMREBV-SNVBAGLBSA-N	-1	0	287.275	0.549	20	30		CCEDRM
N#Cc1ccccc1N1CCN(C(=O)[C@H]2C[C@H]2C(=O)[O-])CC1	ZINC000739147066	581183578	/nfs/dbraw/zinc/18/35/78/581183578.db2.gz	PWWOTCVHJNXNCK-QWHCGFSZSA-N	-1	0	299.330	0.928	20	30		CCEDRM
C#CCCS(=O)(=O)[N-]C(=O)Cc1c(C)noc1C	ZINC000791110344	581207651	/nfs/dbraw/zinc/20/76/51/581207651.db2.gz	CDVLYRCZJCWFEB-UHFFFAOYSA-N	-1	0	270.310	0.303	20	30		CCEDRM
O=C([O-])Cn1cc(/C=C\C(=O)c2cn3ccccc3n2)nn1	ZINC000791427520	581221595	/nfs/dbraw/zinc/22/15/95/581221595.db2.gz	INYWWBARMAAKIP-PLNGDYQASA-N	-1	0	297.274	0.907	20	30		CCEDRM
C#CCCCCCC(=O)[N-]S(=O)(=O)[C@H]1CCOC1	ZINC000780374278	581226388	/nfs/dbraw/zinc/22/63/88/581226388.db2.gz	RVGJMKWYFUIEKH-NSHDSACASA-N	-1	0	273.354	0.805	20	30		CCEDRM
C=CCS(=O)(=O)[N-]C(=O)c1cccc(Cl)n1	ZINC000780463238	581229452	/nfs/dbraw/zinc/22/94/52/581229452.db2.gz	FIKDNFMXQUVCAX-UHFFFAOYSA-N	-1	0	260.702	0.981	20	30		CCEDRM
C=CCS(=O)(=O)[N-]C(=O)c1cn(C(C)(C)C)nn1	ZINC000791853030	581236929	/nfs/dbraw/zinc/23/69/29/581236929.db2.gz	NXZDXJAPALNRDH-UHFFFAOYSA-N	-1	0	272.330	0.279	20	30		CCEDRM
CC[C@@H](NN=Cc1ccc(S(N)(=O)=O)cc1)C(=O)[O-]	ZINC000793059072	581282763	/nfs/dbraw/zinc/28/27/63/581282763.db2.gz	XZPDYJLSOJXXEI-SNVBAGLBSA-N	-1	0	285.325	0.121	20	30		CCEDRM
CC[C@H](NN=C1CCC[C@@H]1S(C)(=O)=O)C(=O)[O-]	ZINC000793072677	581283150	/nfs/dbraw/zinc/28/31/50/581283150.db2.gz	UZMGKUPUMKXKIQ-CBAPKCEASA-N	-1	0	262.331	0.392	20	30		CCEDRM
CCCCCNC(=O)C(C#N)=C([O-])c1cnn(C)n1	ZINC000793125034	581284797	/nfs/dbraw/zinc/28/47/97/581284797.db2.gz	SAAGUJTVQWMBBW-SECBINFHSA-N	-1	0	263.301	0.444	20	30		CCEDRM
Cn1ncc(C([O-])=C(C#N)C(=O)NCc2ccccc2)n1	ZINC000793127786	581285168	/nfs/dbraw/zinc/28/51/68/581285168.db2.gz	YAZAYZIXTJLLJX-NSHDSACASA-N	-1	0	283.291	0.454	20	30		CCEDRM
N#CC1(CS(=O)(=O)[N-]C(=O)[C@@H]2CCCOC2)CC1	ZINC000793212664	581288493	/nfs/dbraw/zinc/28/84/93/581288493.db2.gz	QXVXDJATCOQQEN-SECBINFHSA-N	-1	0	272.326	0.163	20	30		CCEDRM
CC(C)(C#N)CS(=O)(=O)[N-]C(=O)C1(C)COC1	ZINC000782631788	581315862	/nfs/dbraw/zinc/31/58/62/581315862.db2.gz	PBFTXRLNUCKMIK-UHFFFAOYSA-N	-1	0	260.315	0.019	20	30		CCEDRM
N#C[C@H](NC(=O)CN(C[C@H]1CCCO1)C(=O)[O-])C1CC1	ZINC000740304060	581322501	/nfs/dbraw/zinc/32/25/01/581322501.db2.gz	PWSQIYUEKOTPMY-MNOVXSKESA-N	-1	0	281.312	0.564	20	30		CCEDRM
N#C[C@@H]1CN(C(=O)[C@@H]2CCCCN2C(=O)[O-])CCO1	ZINC000740308066	581323155	/nfs/dbraw/zinc/32/31/55/581323155.db2.gz	UKAUJZISHSQKDD-ZJUUUORDSA-N	-1	0	267.285	0.270	20	30		CCEDRM
N#CCSCC(=O)N[C@@H](CNC(=O)[O-])C1CC1	ZINC000740311402	581323412	/nfs/dbraw/zinc/32/34/12/581323412.db2.gz	UNHRXLTYZMJUDJ-QMMMGPOBSA-N	-1	0	257.315	0.406	20	30		CCEDRM
N#Cc1ccc(CNC(=O)[C@H]2COCCN2C(=O)[O-])cc1	ZINC000740312426	581323437	/nfs/dbraw/zinc/32/34/37/581323437.db2.gz	HBBBQZRGRYRBMM-GFCCVEGCSA-N	-1	0	289.291	0.553	20	30		CCEDRM
N#Cc1ccc(CNC(=O)[C@@H]2C[C@H](O)CN2C(=O)[O-])cc1	ZINC000740312982	581324206	/nfs/dbraw/zinc/32/42/06/581324206.db2.gz	MKMSPXDQQXXUEN-RYUDHWBXSA-N	-1	0	289.291	0.288	20	30		CCEDRM
COc1cccc(C(=O)N(CC#N)CC(=O)[O-])c1OC	ZINC000738082934	581325883	/nfs/dbraw/zinc/32/58/83/581325883.db2.gz	ILHNSQZDXXQKNG-UHFFFAOYSA-N	-1	0	278.264	0.754	20	30		CCEDRM
C#CCNC(=O)c1ccccc1NC(=O)CN(C)C(=O)[O-]	ZINC000738462802	581334624	/nfs/dbraw/zinc/33/46/24/581334624.db2.gz	BANSKEGRSPMZSW-UHFFFAOYSA-N	-1	0	289.291	0.598	20	30		CCEDRM
C#CCNC(=O)c1ccc(NCC[C@H](C)NC(=O)[O-])nc1	ZINC000738463153	581334956	/nfs/dbraw/zinc/33/49/56/581334956.db2.gz	NXELQLWXPFWKRV-JTQLQIEISA-N	-1	0	290.323	0.903	20	30		CCEDRM
C=C[C@@](C)(CCOC)C(=O)[N-]S(=O)(=O)CCOC	ZINC000783092574	581335767	/nfs/dbraw/zinc/33/57/67/581335767.db2.gz	WYFIDBWERIDLQZ-NSHDSACASA-N	-1	0	279.358	0.308	20	30		CCEDRM
C=CCS(=O)(=O)[N-]C(=O)[C@@](C)(C=C)CCOC	ZINC000783126845	581336567	/nfs/dbraw/zinc/33/65/67/581336567.db2.gz	QHMAQDBFXJKDLG-NSHDSACASA-N	-1	0	261.343	0.847	20	30		CCEDRM
N#Cc1nc(NC(=O)c2ccncc2F)[n-]c1-c1nn[nH]n1	ZINC000737706058	581336650	/nfs/dbraw/zinc/33/66/50/581336650.db2.gz	VHDBBQPJSJLSHO-UHFFFAOYSA-N	-1	0	299.229	0.248	20	30		CCEDRM
Cc1ccn2ncc(C([O-])=C(C#N)C(=O)NC3CC3)c2n1	ZINC000727953348	581342592	/nfs/dbraw/zinc/34/25/92/581342592.db2.gz	FXNOOHHRCWWYPD-SNVBAGLBSA-N	-1	0	283.291	0.639	20	30		CCEDRM
C#CCSCCNC(=O)NC[C@@H](NC(=O)[O-])C(C)C	ZINC000738468836	581343045	/nfs/dbraw/zinc/34/30/45/581343045.db2.gz	AVSUBGCVFJZQBL-SNVBAGLBSA-N	-1	0	287.385	0.944	20	30		CCEDRM
C=CCNC(=O)NC(=O)[C@H](C)N1CCN(C(=O)[O-])[C@H](C)C1	ZINC000738494326	581361686	/nfs/dbraw/zinc/36/16/86/581361686.db2.gz	AJZIAMBQPVAUSZ-ZJUUUORDSA-N	-1	0	298.343	0.071	20	30		CCEDRM
O=C([O-])N1CC(=NNC(=S)NCC2CCC2)C1	ZINC000740488085	581361721	/nfs/dbraw/zinc/36/17/21/581361721.db2.gz	BZMLACJVBCTBMQ-UHFFFAOYSA-N	-1	0	256.331	0.600	20	30		CCEDRM
N#Cc1c[n-]n2c1nc(COC(=O)C1CC(=O)C1)cc2=O	ZINC000784447786	581384620	/nfs/dbraw/zinc/38/46/20/581384620.db2.gz	NPJQNBUBZMDWGH-UHFFFAOYSA-N	-1	0	286.247	0.329	20	30		CCEDRM
C[C@@H]1COC(=O)C1=NN=c1ccc(-n2cccn2)n[n-]1	ZINC000794894027	581390213	/nfs/dbraw/zinc/39/02/13/581390213.db2.gz	AUDIEFCOXIWMQU-MRVPVSSYSA-N	-1	0	272.268	0.623	20	30		CCEDRM
CCOC(=O)c1c[n-]c(=NN=C2C(=O)OC[C@@H]2C)nc1C	ZINC000794927399	581391413	/nfs/dbraw/zinc/39/14/13/581391413.db2.gz	LNJHWWBNVVHHGQ-ZETCQYMHSA-N	-1	0	292.295	0.923	20	30		CCEDRM
CO[C@H](C)CS(=O)(=O)[N-]C(=O)CC(C)(C)C#N	ZINC000786529803	581443926	/nfs/dbraw/zinc/44/39/26/581443926.db2.gz	ORJRJXJRSWTXCQ-MRVPVSSYSA-N	-1	0	262.331	0.407	20	30		CCEDRM
CCC(=O)[N-]S(=O)(=O)Cc1ccccc1C#N	ZINC000796608071	581446127	/nfs/dbraw/zinc/44/61/27/581446127.db2.gz	GMTDWIAGEYDVAA-UHFFFAOYSA-N	-1	0	252.295	0.914	20	30		CCEDRM
N#Cc1cc(C(=O)[N-]S(=O)(=O)c2cccnc2)ccn1	ZINC000796619078	581446295	/nfs/dbraw/zinc/44/62/95/581446295.db2.gz	VZNSXAWHBVDHLY-UHFFFAOYSA-N	-1	0	288.288	0.467	20	30		CCEDRM
Cc1onc(N)c1S(=O)(=O)[N-]C(=O)c1ccc(C#N)o1	ZINC000797236297	581462344	/nfs/dbraw/zinc/46/23/44/581462344.db2.gz	RYYWZGTVLFHQDO-UHFFFAOYSA-N	-1	0	296.264	0.149	20	30		CCEDRM
C=CCS(=O)(=O)[N-]C(=O)c1ccnc2ccncc21	ZINC000788202953	581485370	/nfs/dbraw/zinc/48/53/70/581485370.db2.gz	LEJTUDFXESIDSW-UHFFFAOYSA-N	-1	0	277.305	0.875	20	30		CCEDRM
C#Cc1cccc(NC(=O)c2n[nH]c(=O)[n-]c2=O)c1	ZINC000765469664	581517353	/nfs/dbraw/zinc/51/73/53/581517353.db2.gz	KRLVPNJEXCMAJX-UHFFFAOYSA-N	-1	0	256.221	0.516	20	30		CCEDRM
CCCS(=O)(=O)[N-]C(=O)COc1cccc(C#N)c1	ZINC000739192989	581520545	/nfs/dbraw/zinc/52/05/45/581520545.db2.gz	UETSSHWGZQOIHE-UHFFFAOYSA-N	-1	0	282.321	0.793	20	30		CCEDRM
CN1CCN(N=Cc2[nH]nc3cc(C(=O)[O-])ccc23)CC1	ZINC000765543218	581525270	/nfs/dbraw/zinc/52/52/70/581525270.db2.gz	OMJFAYVFTJEPTF-UHFFFAOYSA-N	-1	0	287.323	0.842	20	30		CCEDRM
C=CCNC(=O)C(C#N)=C([O-])c1cnc(OC)nc1	ZINC000734079885	581542795	/nfs/dbraw/zinc/54/27/95/581542795.db2.gz	FILZMGJWKNDJOV-SECBINFHSA-N	-1	0	260.253	0.110	20	30		CCEDRM
CCN(CC(=O)N1CCN([C@@H](C#N)C(C)C)CC1)C(=O)[O-]	ZINC000739394685	581546349	/nfs/dbraw/zinc/54/63/49/581546349.db2.gz	SIAQISBJERZKNO-LBPRGKRZSA-N	-1	0	296.371	0.679	20	30		CCEDRM
CCN(C[C@H](C)C#N)C(=O)CN1CCN(C(=O)[O-])C[C@H]1C	ZINC000739402177	581546885	/nfs/dbraw/zinc/54/68/85/581546885.db2.gz	CTZFYHYDYBIFNJ-VXGBXAGGSA-N	-1	0	296.371	0.679	20	30		CCEDRM
CCN(CC(=O)OCC(=O)N[C@](C)(C#N)C1CC1)C(=O)[O-]	ZINC000739397703	581547106	/nfs/dbraw/zinc/54/71/06/581547106.db2.gz	CCISMQKZZGKSNH-CYBMUJFWSA-N	-1	0	297.311	0.338	20	30		CCEDRM
CN(CC#N)C(=O)C1=NN(c2ccccc2)[C@@H](C(=O)[O-])C1	ZINC000739618327	581581895	/nfs/dbraw/zinc/58/18/95/581581895.db2.gz	ZVWXTZOHGPCSBQ-GFCCVEGCSA-N	-1	0	286.291	0.688	20	30		CCEDRM
N#CCN(CC#N)C(=O)CNc1ccc(-c2nn[nH]n2)cc1	ZINC000737693736	581614223	/nfs/dbraw/zinc/61/42/23/581614223.db2.gz	RCQRDHHEFVHZFZ-UHFFFAOYSA-N	-1	0	296.294	0.154	20	30		CCEDRM
C=C(C)C[C@H](C)C(=O)[N-]S(=O)(=O)[C@H]1CCOC1	ZINC000767991381	581639983	/nfs/dbraw/zinc/63/99/83/581639983.db2.gz	SDQKIPZQLGJTSR-UWVGGRQHSA-N	-1	0	261.343	0.824	20	30		CCEDRM
CS(=O)(=O)c1ccc(N=NC2CN(C(=O)[O-])C2)cc1	ZINC000739993906	581642308	/nfs/dbraw/zinc/64/23/08/581642308.db2.gz	LFBLYKYVDQXFPS-UHFFFAOYSA-N	-1	0	283.309	0.852	20	30		CCEDRM
N#C[C@H]1CN(C(=O)NCC[C@@H]2CCN(C(=O)[O-])C2)CCO1	ZINC000740306846	581662856	/nfs/dbraw/zinc/66/28/56/581662856.db2.gz	LRIGBLPJUBSVCY-MNOVXSKESA-N	-1	0	296.327	0.310	20	30		CCEDRM
N#C[C@@H]1CN(C(=O)NCC[C@H]2CCN(C(=O)[O-])C2)CCO1	ZINC000740306848	581662913	/nfs/dbraw/zinc/66/29/13/581662913.db2.gz	LRIGBLPJUBSVCY-WDEREUQCSA-N	-1	0	296.327	0.310	20	30		CCEDRM
N#C[C@H]1CN(C(=O)N[C@@H]2CCCCN(C(=O)[O-])C2)CCO1	ZINC000740306273	581663058	/nfs/dbraw/zinc/66/30/58/581663058.db2.gz	DPIOSKHSSTZMPO-MNOVXSKESA-N	-1	0	296.327	0.453	20	30		CCEDRM
N#CCCn1ccc(NC(=O)CSCC(=O)[O-])n1	ZINC000740309107	581663375	/nfs/dbraw/zinc/66/33/75/581663375.db2.gz	WEFCVCLEVPZVAL-UHFFFAOYSA-N	-1	0	268.298	0.553	20	30		CCEDRM
N#C[C@@]1(NC(=O)CSCC(=O)[O-])CCSC1	ZINC000740310660	581664098	/nfs/dbraw/zinc/66/40/98/581664098.db2.gz	UXYQWGBTEYGVFA-VIFPVBQESA-N	-1	0	260.340	0.320	20	30		CCEDRM
N#Cc1ccc(CC(=O)N2CC[C@@H](NC(=O)[O-])C2)cc1	ZINC000740312076	581664494	/nfs/dbraw/zinc/66/44/94/581664494.db2.gz	AXJWJPUDTXEKPB-GFCCVEGCSA-N	-1	0	273.292	0.969	20	30		CCEDRM
C#CCN1CCN(C(=O)c2[nH]c(C)c(C(=O)[O-])c2C)CC1	ZINC000736079165	581686633	/nfs/dbraw/zinc/68/66/33/581686633.db2.gz	ISSCBZDOMXZQIL-UHFFFAOYSA-N	-1	0	289.335	0.721	20	30		CCEDRM
C#CCCNC(=O)C(=O)Nc1ccc(CNC(=O)[O-])cc1	ZINC000736076270	581694465	/nfs/dbraw/zinc/69/44/65/581694465.db2.gz	DHKQKGQLOTWPST-UHFFFAOYSA-N	-1	0	289.291	0.532	20	30		CCEDRM
C#Cc1ccc(C(=O)N2CCC(C(=O)[O-])CC2)cn1	ZINC000736093538	581701447	/nfs/dbraw/zinc/70/14/47/581701447.db2.gz	VJOSHXDIGYBDSS-UHFFFAOYSA-N	-1	0	258.277	1.000	20	30		CCEDRM
C=CCOCC(=O)N(CCC(=O)[O-])C[C@@H]1CCCO1	ZINC000736109769	581702942	/nfs/dbraw/zinc/70/29/42/581702942.db2.gz	YRUAXLSQNHLHKQ-NSHDSACASA-N	-1	0	271.313	0.671	20	30		CCEDRM
C=CCn1nnn(CN(CC)CC(=O)[O-])c1=S	ZINC000736118106	581703533	/nfs/dbraw/zinc/70/35/33/581703533.db2.gz	QEWAPEFCRPFDHG-UHFFFAOYSA-N	-1	0	257.319	0.359	20	30		CCEDRM
CCN(C[C@H](C)C#N)C(=O)Cn1[n-]cc2c(=O)ncnc1-2	ZINC000730531379	581718329	/nfs/dbraw/zinc/71/83/29/581718329.db2.gz	PDEDKJLWBBFJCA-SECBINFHSA-N	-1	0	288.311	0.079	20	30		CCEDRM
CC(=NNS(C)(=O)=O)c1cc([N+](=O)[O-])ccc1[O-]	ZINC000758115883	581721581	/nfs/dbraw/zinc/72/15/81/581721581.db2.gz	ALCPRZJBFKLDSU-UHFFFAOYSA-N	-1	0	273.270	0.574	20	30		CCEDRM
CC(C)[C@@H](C#N)N1CCN(C(=O)CN(C)C(=O)[O-])CC1	ZINC000736348046	581746521	/nfs/dbraw/zinc/74/65/21/581746521.db2.gz	QYLBGVSGEGKGAV-LLVKDONJSA-N	-1	0	282.344	0.289	20	30		CCEDRM
Cn1ccnc1C([O-])=C(C#N)C(=O)C[C@@H]1CCCO1	ZINC000770730033	581764876	/nfs/dbraw/zinc/76/48/76/581764876.db2.gz	HQIWGFRMONNDDI-VHSXEESVSA-N	-1	0	261.281	0.881	20	30		CCEDRM
CN(C)C(=S)NN=Cc1ccc(OCC(=O)[O-])cc1	ZINC000731562576	581770806	/nfs/dbraw/zinc/77/08/06/581770806.db2.gz	DJJCRHLOZZYZJI-UHFFFAOYSA-N	-1	0	281.337	0.920	20	30		CCEDRM
COCCNC(=O)CN[C@@H](C(=O)[O-])c1ccc(C#N)cc1	ZINC000737815749	581772136	/nfs/dbraw/zinc/77/21/36/581772136.db2.gz	VSKHMSFAJJQYOP-CYBMUJFWSA-N	-1	0	291.307	0.036	20	30		CCEDRM
CCn1cc(C([O-])=C(C#N)C(=O)c2nccn2C)cn1	ZINC000770877897	581776300	/nfs/dbraw/zinc/77/63/00/581776300.db2.gz	WPZZONPMPHXFHO-JTQLQIEISA-N	-1	0	271.280	0.842	20	30		CCEDRM
C=CCOc1ccc(C(=O)[N-]S(=O)(=O)CCOC)cc1	ZINC000732523676	581833431	/nfs/dbraw/zinc/83/34/31/581833431.db2.gz	UAFTTXPVJMGNQW-UHFFFAOYSA-N	-1	0	299.348	0.957	20	30		CCEDRM
CCN(C)S(=O)(=O)[N-]C(=O)COc1cccc(C#N)c1	ZINC000744239964	581835741	/nfs/dbraw/zinc/83/57/41/581835741.db2.gz	WQVMKADZVHPKET-UHFFFAOYSA-N	-1	0	297.336	0.250	20	30		CCEDRM
CC(C)NC(=O)C(C#N)=C([O-])c1cnc2nccnc2c1	ZINC000760181840	581848052	/nfs/dbraw/zinc/84/80/52/581848052.db2.gz	BJIYVESJRCXYRI-JTQLQIEISA-N	-1	0	283.291	0.872	20	30		CCEDRM
CCC[C@H](C)N1C[C@@H](C(=O)N(CC#N)CC(=O)[O-])CC1=O	ZINC000736964752	581874109	/nfs/dbraw/zinc/87/41/09/581874109.db2.gz	IJRAWWCFQUKISD-QWRGUYRKSA-N	-1	0	295.339	0.460	20	30		CCEDRM
CN(C)C(=S)NN=Cc1cccc(OCC(=O)[O-])c1	ZINC000733204352	581890904	/nfs/dbraw/zinc/89/09/04/581890904.db2.gz	PCRJEKUJIOJEFS-UHFFFAOYSA-N	-1	0	281.337	0.920	20	30		CCEDRM
CCN(CC)C(=O)CCCC(=O)N(CC#N)CC(=O)[O-]	ZINC000737078419	581897633	/nfs/dbraw/zinc/89/76/33/581897633.db2.gz	LSCHUNWLKICMEV-UHFFFAOYSA-N	-1	0	283.328	0.462	20	30		CCEDRM
C=CCCO[C@H](C)C(=O)N1CCSC[C@@H]1c1nnn[n-]1	ZINC000773163265	581911662	/nfs/dbraw/zinc/91/16/62/581911662.db2.gz	UOCIVBQGMICMQY-NXEZZACHSA-N	-1	0	297.384	0.797	20	30		CCEDRM
CCNc1nc([N-]N=C2CCN(C)C2=O)nc(NCC)n1	ZINC000761750224	581919560	/nfs/dbraw/zinc/91/95/60/581919560.db2.gz	RPUPKPNXZGUCMV-UHFFFAOYSA-N	-1	0	292.347	0.365	20	30		CCEDRM
Cc1cc(C)n(N=Cc2ncc[nH]2)c(=O)c1-c1nnn[n-]1	ZINC000737255670	581927262	/nfs/dbraw/zinc/92/72/62/581927262.db2.gz	BRCRVZNRGLCNRU-UHFFFAOYSA-N	-1	0	284.283	0.251	20	30		CCEDRM
CN(C(=O)COC(=O)[C@H]1C[C@@H]1C(=O)[O-])C(C)(C)C#N	ZINC000737322932	581944653	/nfs/dbraw/zinc/94/46/53/581944653.db2.gz	SAOZYZVHBLSLCL-YUMQZZPRSA-N	-1	0	268.269	0.011	20	30		CCEDRM
N#CC(C(=O)NC1CC1)=C([O-])c1ccnc(-n2ccnc2)c1	ZINC000773979052	581950954	/nfs/dbraw/zinc/95/09/54/581950954.db2.gz	FOWDTTYWAZNXNY-LBPRGKRZSA-N	-1	0	295.302	0.868	20	30		CCEDRM
CN(CC(=O)NCc1ccc(C#N)cc1F)C(=O)[O-]	ZINC000737393579	581951556	/nfs/dbraw/zinc/95/15/56/581951556.db2.gz	OZPCKWTZCBCMLO-UHFFFAOYSA-N	-1	0	265.244	0.923	20	30		CCEDRM
CN(CC(=O)NCCC#N)[C@H](C(=O)[O-])c1ccccc1	ZINC000737395127	581952324	/nfs/dbraw/zinc/95/23/24/581952324.db2.gz	TUFBJKGYNZXSGV-ZDUSSCGKSA-N	-1	0	275.308	0.774	20	30		CCEDRM
N#Cc1ccc([O-])c(NC(=O)CCN2C(=O)CCC2=O)c1	ZINC000748002137	581959314	/nfs/dbraw/zinc/95/93/14/581959314.db2.gz	GNAAFUTUTBHFEB-UHFFFAOYSA-N	-1	0	287.275	0.741	20	30		CCEDRM
CCn1nccc1C([O-])=C(C#N)C(=O)c1nccn1C	ZINC000774206784	581965191	/nfs/dbraw/zinc/96/51/91/581965191.db2.gz	PCQOCUQIFGKOBV-SECBINFHSA-N	-1	0	271.280	0.842	20	30		CCEDRM
COc1ccc(C)cc1CC(=O)N(CC#N)CC(=O)[O-]	ZINC000737975538	582011581	/nfs/dbraw/zinc/01/15/81/582011581.db2.gz	JONPRBKXWWDBKM-UHFFFAOYSA-N	-1	0	276.292	0.983	20	30		CCEDRM
Cc1cc(C(=O)[N-]S(=O)(=O)CCCC#N)c(C)[nH]1	ZINC000776119487	582052180	/nfs/dbraw/zinc/05/21/80/582052180.db2.gz	PQBTYQFRTYBHTD-UHFFFAOYSA-N	-1	0	269.326	0.995	20	30		CCEDRM
N#CCCCS(=O)(=O)[N-]C(=O)c1noc2c1CCCC2	ZINC000776119069	582052224	/nfs/dbraw/zinc/05/22/24/582052224.db2.gz	BBQXLDGEWQWIPE-UHFFFAOYSA-N	-1	0	297.336	0.917	20	30		CCEDRM
N#CCCCS(=O)(=O)[N-]C(=O)CC[C@H]1CCOC1	ZINC000776123123	582052384	/nfs/dbraw/zinc/05/23/84/582052384.db2.gz	YCINSALDUABXDK-JTQLQIEISA-N	-1	0	274.342	0.553	20	30		CCEDRM
C#CCCNC(=O)C(=O)Nc1cc(NC(=O)[O-])ccc1F	ZINC000738457678	582052646	/nfs/dbraw/zinc/05/26/46/582052646.db2.gz	UGVBHQFIPDOPBK-UHFFFAOYSA-N	-1	0	293.254	0.994	20	30		CCEDRM
C#CCN1CCN(C(=O)CC(C)(C)NC(=O)[O-])CC1	ZINC000738459807	582053098	/nfs/dbraw/zinc/05/30/98/582053098.db2.gz	DVMKBTUSNYRABR-UHFFFAOYSA-N	-1	0	267.329	0.200	20	30		CCEDRM
C#CCSCCNC(=O)NCC[C@H](C)NC(=O)[O-]	ZINC000738469476	582053168	/nfs/dbraw/zinc/05/31/68/582053168.db2.gz	FWWDQKISZKXHIQ-VIFPVBQESA-N	-1	0	273.358	0.698	20	30		CCEDRM
C#CCOC(=O)c1cn(C2CCN(C(=O)[O-])CC2)nn1	ZINC000738463690	582053852	/nfs/dbraw/zinc/05/38/52/582053852.db2.gz	ZFPNSYJCCXGPDB-UHFFFAOYSA-N	-1	0	278.268	0.383	20	30		CCEDRM
C=C(Br)CNC(=O)N1CC[C@@H](NC(=O)[O-])C1	ZINC000738470722	582054408	/nfs/dbraw/zinc/05/44/08/582054408.db2.gz	MIQREKWCMQYSTI-SSDOTTSWSA-N	-1	0	292.133	0.947	20	30		CCEDRM
CC(C)(C#N)CS(=O)(=O)[N-]C(=O)C[C@@H]1CCCCO1	ZINC000776143663	582054656	/nfs/dbraw/zinc/05/46/56/582054656.db2.gz	JEPWMHUSSCXJNB-JTQLQIEISA-N	-1	0	288.369	0.941	20	30		CCEDRM
C=CCOCC(=O)N1CCCC[C@@H]1CNC(=O)[O-]	ZINC000738491179	582055885	/nfs/dbraw/zinc/05/58/85/582055885.db2.gz	IUXVHZCITQWPND-SNVBAGLBSA-N	-1	0	256.302	0.838	20	30		CCEDRM
C=C1CCN(C(=O)CN(CCOC)C(=O)[O-])CC1	ZINC000738494629	582056135	/nfs/dbraw/zinc/05/61/35/582056135.db2.gz	UAWZCOZJDFSCQR-UHFFFAOYSA-N	-1	0	256.302	0.791	20	30		CCEDRM
C=CCNC(=O)[C@@H](C)OC(=O)CC(C)(C)NC(=O)[O-]	ZINC000738496506	582056734	/nfs/dbraw/zinc/05/67/34/582056734.db2.gz	ZQEKJNDDKWIELI-MRVPVSSYSA-N	-1	0	272.301	0.657	20	30		CCEDRM
CS(=O)(=O)NN=Cc1cc(F)c([O-])c(F)c1	ZINC000764708846	582063758	/nfs/dbraw/zinc/06/37/58/582063758.db2.gz	UOVJQLLRSXWYID-UHFFFAOYSA-N	-1	0	250.226	0.554	20	30		CCEDRM
N#CCCCS(=O)(=O)N[C@H](CC(=O)[O-])C1CC1	ZINC000776573485	582078778	/nfs/dbraw/zinc/07/87/78/582078778.db2.gz	CRXKQSKJQCEFNC-SECBINFHSA-N	-1	0	260.315	0.463	20	30		CCEDRM
C[C@@H](NC(=O)[O-])C(=O)N(CCC#N)Cc1ccccn1	ZINC000738982301	582095293	/nfs/dbraw/zinc/09/52/93/582095293.db2.gz	XADKBHYBEYYPTD-SNVBAGLBSA-N	-1	0	276.296	0.980	20	30		CCEDRM
N#CC1(C(=O)NCc2ccc(C(=O)[O-])o2)CCOCC1	ZINC000739065866	582100315	/nfs/dbraw/zinc/10/03/15/582100315.db2.gz	CZKQFIJLSFTXLS-UHFFFAOYSA-N	-1	0	278.264	0.914	20	30		CCEDRM
N#C[C@H]1CN(C(=O)CCSCC(=O)[O-])CCN1C1CC1	ZINC000739068651	582100593	/nfs/dbraw/zinc/10/05/93/582100593.db2.gz	GRRKJNZMBJOPRM-NSHDSACASA-N	-1	0	297.380	0.393	20	30		CCEDRM
N#CCCCS(=O)(=O)N[C@H]1CCCN(C(=O)[O-])C1	ZINC000739072530	582100893	/nfs/dbraw/zinc/10/08/93/582100893.db2.gz	HZHPAJQQWJRKPM-VIFPVBQESA-N	-1	0	275.330	0.352	20	30		CCEDRM
N#C[C@H](C(=O)CCCNC(=O)[O-])C(=O)Nc1ccccn1	ZINC000739076075	582101338	/nfs/dbraw/zinc/10/13/38/582101338.db2.gz	YMLJMZFANNMGQP-SECBINFHSA-N	-1	0	290.279	0.777	20	30		CCEDRM
N#CCCNC(=O)COC(=O)c1ccccc1NC(=O)[O-]	ZINC000739076565	582101425	/nfs/dbraw/zinc/10/14/25/582101425.db2.gz	ZRNFAQOYLGLQJC-UHFFFAOYSA-N	-1	0	291.263	0.963	20	30		CCEDRM
N#CCN(CC(=O)[O-])C(=O)COc1ccc(F)cc1	ZINC000739078275	582101453	/nfs/dbraw/zinc/10/14/53/582101453.db2.gz	CSYPSCKYMXKTSW-UHFFFAOYSA-N	-1	0	266.228	0.641	20	30		CCEDRM
N#CCN(CC(=O)[O-])C(=O)[C@H]1Cc2ccccc2C(=O)O1	ZINC000739076633	582101517	/nfs/dbraw/zinc/10/15/17/582101517.db2.gz	BEBDCXBXLMFKOZ-LLVKDONJSA-N	-1	0	288.259	0.205	20	30		CCEDRM
N#CCN(CC(=O)[O-])S(=O)(=O)CC1CCCCC1	ZINC000739086110	582101844	/nfs/dbraw/zinc/10/18/44/582101844.db2.gz	OSQXUCDVGCZUEX-UHFFFAOYSA-N	-1	0	274.342	0.807	20	30		CCEDRM
CC(C)N(C)S(=O)(=O)[N-]C(=O)c1cc(C#N)cs1	ZINC000752178274	582102085	/nfs/dbraw/zinc/10/20/85/582102085.db2.gz	MDLWAOPHAVGFCL-UHFFFAOYSA-N	-1	0	287.366	0.935	20	30		CCEDRM
N#CCN1CCC(CNC(=O)CCSCC(=O)[O-])CC1	ZINC000739087328	582102190	/nfs/dbraw/zinc/10/21/90/582102190.db2.gz	XKQFMIZLUDCPDE-UHFFFAOYSA-N	-1	0	299.396	0.546	20	30		CCEDRM
O=C([O-])Cn1cc(CN=Nc2cnc3ccccc3n2)nn1	ZINC000768481495	582107281	/nfs/dbraw/zinc/10/72/81/582107281.db2.gz	BLGVQIVFYGIJEP-UHFFFAOYSA-N	-1	0	297.278	0.752	20	30		CCEDRM
C#CCN(CC#C)S(=O)(=O)c1cc(F)ccc1C(=O)[O-]	ZINC000688531856	601386945	/nfs/dbraw/zinc/38/69/45/601386945.db2.gz	YINFSBGHYYVFTL-UHFFFAOYSA-N	-1	0	295.291	0.781	20	30		CCEDRM
CCC[C@@](C)(O)CNC(=O)[C@@](C)(C#N)CC(=O)[O-]	ZINC000820303793	615030415	/nfs/dbraw/zinc/03/04/15/615030415.db2.gz	KOCRNGJSNRAMSV-VXGBXAGGSA-N	-1	0	256.302	0.658	20	30		CCEDRM
CCN([C@@H](C)C(=O)[O-])S(=O)(=O)CCCCC#N	ZINC000899563895	615077056	/nfs/dbraw/zinc/07/70/56/615077056.db2.gz	CVRUARIOJJIWMF-VIFPVBQESA-N	-1	0	262.331	0.805	20	30		CCEDRM
C#CCCCNC(=O)N[C@@H](C(=O)[O-])[C@@H]1CCCOC1	ZINC000909027471	612981948	/nfs/dbraw/zinc/98/19/48/612981948.db2.gz	KXTJPHPKDSTTTA-GHMZBOCLSA-N	-1	0	268.313	0.579	20	30		CCEDRM
C#CCCCNC(=O)NC[C@H](NC(=O)[O-])C(C)C	ZINC000823445228	612982147	/nfs/dbraw/zinc/98/21/47/612982147.db2.gz	WFTDXVWSUREVCK-JTQLQIEISA-N	-1	0	255.318	0.991	20	30		CCEDRM
CN(CCC(=O)[O-])CC(=O)Nc1sccc1C#N	ZINC000037933000	596997290	/nfs/dbraw/zinc/99/72/90/596997290.db2.gz	UTHUONVYJWSEQJ-UHFFFAOYSA-N	-1	0	267.310	0.965	20	30		CCEDRM
CN(CCC(=O)[O-])C(=O)COc1ccccc1C#N	ZINC000037932064	597005625	/nfs/dbraw/zinc/00/56/25/597005625.db2.gz	ZEMXESAIZFNLCG-UHFFFAOYSA-N	-1	0	262.265	0.870	20	30		CCEDRM
C#CCCCS(=O)(=O)NCc1nc(C(F)(F)F)no1	ZINC000805060088	612984615	/nfs/dbraw/zinc/98/46/15/612984615.db2.gz	PGDFGQVYPLEEMF-UHFFFAOYSA-N	-1	0	297.258	0.921	20	30		CCEDRM
C#CCCCS(=O)(=O)[N-]c1nccc(OCCOC)n1	ZINC000840949811	612985409	/nfs/dbraw/zinc/98/54/09/612985409.db2.gz	CVEMFTIFXNMNHL-UHFFFAOYSA-N	-1	0	299.352	0.657	20	30		CCEDRM
Cc1cc(C#N)ccc1C(=O)N1CCO[C@@H](C(=O)[O-])C1	ZINC000820953962	597354137	/nfs/dbraw/zinc/35/41/37/597354137.db2.gz	JBKLXJADQXJDMT-GFCCVEGCSA-N	-1	0	274.276	0.792	20	30		CCEDRM
Cn1ccnc1[C@H]1CCN(C(=O)[C@](C)(C#N)CC(=O)[O-])C1	ZINC000821305008	597605159	/nfs/dbraw/zinc/60/51/59/597605159.db2.gz	NTWJGVNFNUHQCL-HZMBPMFUSA-N	-1	0	290.323	0.741	20	30		CCEDRM
C[C@](C#N)(CC(=O)[O-])C(=O)N[C@H]1CCO[C@]2(CCOC2)C1	ZINC000819833504	597607199	/nfs/dbraw/zinc/60/71/99/597607199.db2.gz	HKTQUAKMCBANHX-ZLKJLUDKSA-N	-1	0	296.323	0.445	20	30		CCEDRM
C[C@@H]1C[C@H](CNC(=O)[C@](C)(C#N)CC(=O)[O-])CCO1	ZINC000820228538	597607778	/nfs/dbraw/zinc/60/77/78/597607778.db2.gz	PFEWRGMLTGRLRY-BREBYQMCSA-N	-1	0	268.313	0.922	20	30		CCEDRM
Cc1nnc(COC(=O)[C@@](C)(C#N)CC(=O)[O-])n1C1CC1	ZINC000821225029	597616694	/nfs/dbraw/zinc/61/66/94/597616694.db2.gz	QSVNWGFERHJDEH-CYBMUJFWSA-N	-1	0	292.295	0.969	20	30		CCEDRM
COc1coc(COC(=O)[C@](C)(C#N)CC(=O)[O-])cc1=O	ZINC000820881734	597624080	/nfs/dbraw/zinc/62/40/80/597624080.db2.gz	RJPVJXBCUCYYFW-ZDUSSCGKSA-N	-1	0	295.247	0.696	20	30		CCEDRM
C[C@@](C#N)(CC(=O)[O-])C(=O)N1CCC2(CC1)OCCO2	ZINC000819810698	597631347	/nfs/dbraw/zinc/63/13/47/597631347.db2.gz	FHXMXHSILCETJE-LBPRGKRZSA-N	-1	0	282.296	0.356	20	30		CCEDRM
C[C@@](C#N)(CC(=O)[O-])C(=O)NCCc1cccnc1	ZINC000819841859	597631568	/nfs/dbraw/zinc/63/15/68/597631568.db2.gz	GBVAFKMKGZVFGB-ZDUSSCGKSA-N	-1	0	261.281	0.745	20	30		CCEDRM
C[C@](C#N)(CC(=O)[O-])C(=O)NCCCCn1ccnc1	ZINC000819832474	597636241	/nfs/dbraw/zinc/63/62/41/597636241.db2.gz	BNMRJXKTLKMMJW-CYBMUJFWSA-N	-1	0	278.312	0.784	20	30		CCEDRM
C[C@@](C#N)(CC(=O)[O-])C(=O)NCc1ccc(CO)c(F)c1	ZINC000819842420	597637697	/nfs/dbraw/zinc/63/76/97/597637697.db2.gz	PINYTGKVOMSMBC-AWEZNQCLSA-N	-1	0	294.282	0.939	20	30		CCEDRM
C[C@](C#N)(CC(=O)[O-])C(=O)N1CCN(C2CC2)CC1	ZINC000819823653	597638927	/nfs/dbraw/zinc/63/89/27/597638927.db2.gz	VKAJDCFSATUCAI-CYBMUJFWSA-N	-1	0	265.313	0.298	20	30		CCEDRM
Cc1cccc(NCCNC(=O)[C@](C)(C#N)CC(=O)[O-])n1	ZINC000821116784	597649058	/nfs/dbraw/zinc/64/90/58/597649058.db2.gz	QIOGLDWWOUCATL-AWEZNQCLSA-N	-1	0	290.323	0.923	20	30		CCEDRM
Cc1nnc([C@H](C)NC(=O)[C@](C)(C#N)CC(=O)[O-])o1	ZINC000821216638	597656448	/nfs/dbraw/zinc/65/64/48/597656448.db2.gz	JVUDFPUYUMOFOF-KGFZYKRKSA-N	-1	0	266.257	0.560	20	30		CCEDRM
N#Cc1ccc([C@H](O)C(=O)N2CCC(C(=O)[O-])CC2)cc1	ZINC000821329886	597667944	/nfs/dbraw/zinc/66/79/44/597667944.db2.gz	NIXJLIMKIOONPZ-ZDUSSCGKSA-N	-1	0	288.303	0.915	20	30		CCEDRM
Cc1nc(CN(C)C(=O)[C@@](C)(C#N)CC(=O)[O-])no1	ZINC000821171217	597671752	/nfs/dbraw/zinc/67/17/52/597671752.db2.gz	KGCYSVWPLYMDNW-LLVKDONJSA-N	-1	0	266.257	0.341	20	30		CCEDRM
C[C@@]1(C#N)CCCN(C(=O)CSCC(=O)[O-])C1	ZINC000820200004	597818828	/nfs/dbraw/zinc/81/88/28/597818828.db2.gz	SHLKDVOISPACES-NSHDSACASA-N	-1	0	256.327	0.956	20	30		CCEDRM
C=CCNC(=O)CNC(=O)c1ccc(C(=O)[O-])cc1	ZINC000393830587	598198210	/nfs/dbraw/zinc/19/82/10/598198210.db2.gz	YTDJTPZLORPCEZ-UHFFFAOYSA-N	-1	0	262.265	0.417	20	30		CCEDRM
C=CCNC(=O)CNC(=O)Nc1ccccc1C(=O)[O-]	ZINC000393803171	598198479	/nfs/dbraw/zinc/19/84/79/598198479.db2.gz	VQEXYRUDBOJDOC-UHFFFAOYSA-N	-1	0	277.280	0.809	20	30		CCEDRM
Cc1onc(CC(=O)N(CC(=O)[O-])C(C)C)c1C#N	ZINC000821257686	598220743	/nfs/dbraw/zinc/22/07/43/598220743.db2.gz	UKCAFECHZAWEAB-UHFFFAOYSA-N	-1	0	265.269	0.719	20	30		CCEDRM
C[C@@](C#N)(CC(=O)[O-])C(=O)Nc1nc(CC(N)=O)cs1	ZINC000819866122	598223174	/nfs/dbraw/zinc/22/31/74/598223174.db2.gz	RYUXJWLAHZHLLP-NSHDSACASA-N	-1	0	296.308	0.114	20	30		CCEDRM
Cn1cc(CCCNC(=O)[C@](C)(C#N)CC(=O)[O-])cn1	ZINC000821287073	598226384	/nfs/dbraw/zinc/22/63/84/598226384.db2.gz	DJXRQWBKOFHMTG-ZDUSSCGKSA-N	-1	0	278.312	0.473	20	30		CCEDRM
C[C@](C#N)(CC(=O)[O-])C(=O)NCCc1cscn1	ZINC000819842467	598230940	/nfs/dbraw/zinc/23/09/40/598230940.db2.gz	QMJRJKUSFBYLJS-LLVKDONJSA-N	-1	0	267.310	0.806	20	30		CCEDRM
N#CCN(CC(=O)[O-])S(=O)(=O)c1cccc(Cl)c1	ZINC000586165438	600764040	/nfs/dbraw/zinc/76/40/40/600764040.db2.gz	OVUFCDUZNCWRQZ-UHFFFAOYSA-N	-1	0	288.712	0.939	20	30		CCEDRM
N#CCN(CC(=O)[O-])Cc1cccc2c1OCCO2	ZINC000833067810	601004460	/nfs/dbraw/zinc/00/44/60/601004460.db2.gz	YJLUMCDGTQHLPW-UHFFFAOYSA-N	-1	0	262.265	0.868	20	30		CCEDRM
Cc1nnc(NN=Cc2ccc(-c3nn[nH]n3)o2)[n-]c1=O	ZINC000822515508	599332590	/nfs/dbraw/zinc/33/25/90/599332590.db2.gz	NJALDQJARMTQMW-UHFFFAOYSA-N	-1	0	287.243	0.105	20	30		CCEDRM
C#CCO[C@@H](C)C(=O)N[C@@H]1C[C@H](C(=O)[O-])[C@H]2C[C@H]21	ZINC000923195323	612997346	/nfs/dbraw/zinc/99/73/46/612997346.db2.gz	MFSCDVUMCLEZNA-QUARPLMYSA-N	-1	0	251.282	0.250	20	30		CCEDRM
C#CCO[C@H](C)C(=O)[N-]S(=O)(=O)c1cc(C)cc(F)c1	ZINC000835221451	613002126	/nfs/dbraw/zinc/00/21/26/613002126.db2.gz	YYASKCFBRGAHGU-SNVBAGLBSA-N	-1	0	299.323	0.977	20	30		CCEDRM
N#CCCCCNC(=O)NCCSCC(=O)[O-]	ZINC000739069523	599900292	/nfs/dbraw/zinc/90/02/92/599900292.db2.gz	RVKXSXOQGGWPNI-UHFFFAOYSA-N	-1	0	259.331	0.797	20	30		CCEDRM
N#Cc1cccc(CNC(=O)N2CCO[C@@H](C(=O)[O-])C2)c1	ZINC000051668279	600034428	/nfs/dbraw/zinc/03/44/28/600034428.db2.gz	MKCAQTGUSRTKHP-GFCCVEGCSA-N	-1	0	289.291	0.553	20	30		CCEDRM
N#CCN(CC(=O)[O-])C(=O)CNC(=O)Nc1ccccc1	ZINC000739079366	600405928	/nfs/dbraw/zinc/40/59/28/600405928.db2.gz	WORPXJBRAJKZSP-UHFFFAOYSA-N	-1	0	290.279	0.245	20	30		CCEDRM
C#CCN1CCN(C(=O)[C@H]2CCC[C@H](C(=O)[O-])C2)CC1	ZINC000312264613	600948971	/nfs/dbraw/zinc/94/89/71/600948971.db2.gz	HOYKRJAUCXJRSM-STQMWFEESA-N	-1	0	278.352	0.655	20	30		CCEDRM
N#C[C@H]1CN(CC(=O)Nc2ccccc2C(=O)[O-])CCO1	ZINC000833063531	601003218	/nfs/dbraw/zinc/00/32/18/601003218.db2.gz	YJMPNLYYWQXPRF-JTQLQIEISA-N	-1	0	289.291	0.548	20	30		CCEDRM
C[C@H]1CCCC[C@H]1NC(=O)CN(CC#N)CC(=O)[O-]	ZINC000828252373	601004561	/nfs/dbraw/zinc/00/45/61/601004561.db2.gz	STKAFQMEDSCFCV-WDEREUQCSA-N	-1	0	267.329	0.591	20	30		CCEDRM
N#CCN(CC(=O)[O-])C[C@@H](O)COCc1ccccc1F	ZINC000833066925	601242389	/nfs/dbraw/zinc/24/23/89/601242389.db2.gz	LUXVZDZMBKDWRI-GFCCVEGCSA-N	-1	0	296.298	0.613	20	30		CCEDRM
N#CCn1cc(NC(=O)c2ccnc(C(=O)[O-])c2)cn1	ZINC000833069368	601282131	/nfs/dbraw/zinc/28/21/31/601282131.db2.gz	UVJYONSUMYOKLH-UHFFFAOYSA-N	-1	0	271.236	0.752	20	30		CCEDRM
C[C@H](C(=O)N(C)CCC#N)N1CC[C@](F)(C(=O)[O-])C1	ZINC000825972209	601443223	/nfs/dbraw/zinc/44/32/23/601443223.db2.gz	MIZKMCLLVUHZBY-BXKDBHETSA-N	-1	0	271.292	0.246	20	30		CCEDRM
C[C@H]1CN(S(=O)(=O)c2ccc(C#N)cc2)C[C@@H]1C(=O)[O-]	ZINC000111252838	601589629	/nfs/dbraw/zinc/58/96/29/601589629.db2.gz	PYNYYSDURKZXBU-CABZTGNLSA-N	-1	0	294.332	0.899	20	30		CCEDRM
C[C@@H](CC#N)N(C)CC(=O)N1CCC(C(=O)[O-])CC1	ZINC000063087221	601632247	/nfs/dbraw/zinc/63/22/47/601632247.db2.gz	LEGXCNRIUIXEFB-JTQLQIEISA-N	-1	0	267.329	0.544	20	30		CCEDRM
COC[C@](C)(NC(=O)C#Cc1ccccc1)C(=O)[O-]	ZINC000328553431	601691081	/nfs/dbraw/zinc/69/10/81/601691081.db2.gz	WNSJJYQDJUJVLF-AWEZNQCLSA-N	-1	0	261.277	0.644	20	30		CCEDRM
N#Cc1ccccc1/C=C\C(=O)N[C@@]1(C(=O)[O-])CCOC1	ZINC000833075298	601725679	/nfs/dbraw/zinc/72/56/79/601725679.db2.gz	PTQMIKBJPFZXEU-YVACAVLKSA-N	-1	0	286.287	0.931	20	30		CCEDRM
N#CCN(CC(=O)[O-])C(=O)c1cccnc1Br	ZINC000833065920	601860648	/nfs/dbraw/zinc/86/06/48/601860648.db2.gz	LAYTWNYGMQTUIY-UHFFFAOYSA-N	-1	0	298.096	0.894	20	30		CCEDRM
C#CCSCCNC(=O)C[C@@H]1CN(C(=O)[O-])CCO1	ZINC000823467444	613015758	/nfs/dbraw/zinc/01/57/58/613015758.db2.gz	WLGTTZHIOCIPKP-SNVBAGLBSA-N	-1	0	286.353	0.238	20	30		CCEDRM
C#CCNC(=O)[C@@H](C)OC(=O)c1ccc(CNC(=O)[O-])o1	ZINC000823455125	612949389	/nfs/dbraw/zinc/94/93/89/612949389.db2.gz	AFCMGYSXVYNYPE-MRVPVSSYSA-N	-1	0	294.263	0.342	20	30		CCEDRM
C#CCCCCNC(=O)NCCSCC(=O)[O-]	ZINC000389449006	602242454	/nfs/dbraw/zinc/24/24/54/602242454.db2.gz	QRPAUIWVCGTSGP-UHFFFAOYSA-N	-1	0	258.343	0.907	20	30		CCEDRM
C[C@H](NC(=O)C#Cc1ccc2c(c1)OCO2)C(=O)[O-]	ZINC000818018077	602285460	/nfs/dbraw/zinc/28/54/60/602285460.db2.gz	LPLBWOVBRWMEIX-QMMMGPOBSA-N	-1	0	261.233	0.356	20	30		CCEDRM
C[C@H](CC(=O)[O-])C(=O)NC[C@@H]1CCCN(CC#N)C1	ZINC000827290718	602300218	/nfs/dbraw/zinc/30/02/18/602300218.db2.gz	HENOLTCJIIJHIE-MNOVXSKESA-N	-1	0	267.329	0.449	20	30		CCEDRM
N#CCC[C@H](C#N)Cn1cc([N+](=O)[O-])cc(C(=O)[O-])c1=O	ZINC000833061743	602300220	/nfs/dbraw/zinc/30/02/20/602300220.db2.gz	GNMXOYJKXNUSIE-MRVPVSSYSA-N	-1	0	290.235	0.898	20	30		CCEDRM
COc1cc(C=NNCC(=O)[O-])cc([N+](=O)[O-])c1[O-]	ZINC000814958584	617179385	/nfs/dbraw/zinc/17/93/85/617179385.db2.gz	CZCBKCFOHXCJJY-UHFFFAOYSA-N	-1	0	269.213	0.317	20	30		CCEDRM
COc1cc(C=Nn2c(=O)[n-][nH]c2=O)cc(OC)c1	ZINC000814232827	617179532	/nfs/dbraw/zinc/17/95/32/617179532.db2.gz	NQFBAPSNIZANCK-UHFFFAOYSA-N	-1	0	264.241	0.589	20	30		CCEDRM
N#Cc1ccc(C(=O)N2CCC[C@H]2CNC(=O)[O-])nc1	ZINC000831122275	603131930	/nfs/dbraw/zinc/13/19/30/603131930.db2.gz	BYUFOCDBOPCOEP-JTQLQIEISA-N	-1	0	274.280	0.825	20	30		CCEDRM
N#CC1(C(=O)N[C@@H]2CCCN(C(=O)[O-])C2)CCC1	ZINC000739065731	603199606	/nfs/dbraw/zinc/19/96/06/603199606.db2.gz	ANXUVQYGTGRIDN-SECBINFHSA-N	-1	0	251.286	0.939	20	30		CCEDRM
C#CCNC(=O)[C@H](C)OC(=O)[C@H]1CCCCN1C(=O)[O-]	ZINC000823457166	612951258	/nfs/dbraw/zinc/95/12/58/612951258.db2.gz	VSPLKFKLNFDNKI-VHSXEESVSA-N	-1	0	282.296	0.200	20	30		CCEDRM
N#C[C@]1(NC(=O)CC2CN(C(=O)[O-])C2)CCSC1	ZINC000831069946	603569737	/nfs/dbraw/zinc/56/97/37/603569737.db2.gz	AWZYVQQERVAAHW-LLVKDONJSA-N	-1	0	269.326	0.502	20	30		CCEDRM
Cc1ccc(C(=O)N2CCN(C(=O)[O-])C[C@H]2C#N)o1	ZINC000830198753	603592313	/nfs/dbraw/zinc/59/23/13/603592313.db2.gz	NNXMKJSNSNIDMF-SECBINFHSA-N	-1	0	263.253	0.916	20	30		CCEDRM
Cn1cccc1C(=O)N1CCN(C(=O)[O-])C[C@H]1C#N	ZINC000831026590	603594795	/nfs/dbraw/zinc/59/47/95/603594795.db2.gz	GNRWQQZAROGXOL-SECBINFHSA-N	-1	0	262.269	0.353	20	30		CCEDRM
Cc1cnc(C(=O)N2CCN(C(=O)[O-])C[C@@H]2C#N)cn1	ZINC000830621118	603598396	/nfs/dbraw/zinc/59/83/96/603598396.db2.gz	ZVUKIQYPBHJTGG-VIFPVBQESA-N	-1	0	275.268	0.113	20	30		CCEDRM
N#C[C@@H]1CN(C(=O)[O-])CCN1Cc1nc(C2CC2)no1	ZINC000831091374	603725567	/nfs/dbraw/zinc/72/55/67/603725567.db2.gz	CKVXEPNJASEREG-SECBINFHSA-N	-1	0	277.284	0.635	20	30		CCEDRM
N#CCCN(CC1CC1)C(=O)COC1CN(C(=O)[O-])C1	ZINC000831097015	603766321	/nfs/dbraw/zinc/76/63/21/603766321.db2.gz	BIZCLMHPAJGBCQ-UHFFFAOYSA-N	-1	0	281.312	0.517	20	30		CCEDRM
N#CCn1cc(NC(=O)[C@@H]2CC[C@H](NC(=O)[O-])C2)cn1	ZINC000831109644	603962347	/nfs/dbraw/zinc/96/23/47/603962347.db2.gz	PPUZVJWYGVZMHJ-BDAKNGLRSA-N	-1	0	277.284	0.781	20	30		CCEDRM
C[C@H](CC#N)N(C)C(=O)[C@]1(F)CCN(C(=O)[O-])C1	ZINC000824544795	603999119	/nfs/dbraw/zinc/99/91/19/603999119.db2.gz	SYIKKYINMVAMOW-KCJUWKMLSA-N	-1	0	257.265	0.839	20	30		CCEDRM
N#C[C@@H]1CCC[C@@H]1NC(=O)COC1CN(C(=O)[O-])C1	ZINC000831076336	604030088	/nfs/dbraw/zinc/03/00/88/604030088.db2.gz	KDVVOVFZJTVWLM-WPRPVWTQSA-N	-1	0	267.285	0.174	20	30		CCEDRM
N#C[C@@H]1CCC[C@H]1NC(=O)[C@@H]1COCCN1C(=O)[O-]	ZINC000831077053	604030213	/nfs/dbraw/zinc/03/02/13/604030213.db2.gz	VZHCALHJNSHEFP-AEJSXWLSSA-N	-1	0	267.285	0.174	20	30		CCEDRM
N#C[C@H]1CN(C(=O)[O-])CCN1C(=O)c1cnn2ccccc12	ZINC000831091568	604068597	/nfs/dbraw/zinc/06/85/97/604068597.db2.gz	HSCMKNFZWFRZBX-JTQLQIEISA-N	-1	0	299.290	0.662	20	30		CCEDRM
N#C[C@@H](NC(=O)CC1(NC(=O)[O-])CCC1)C1CC1	ZINC000831071131	604162389	/nfs/dbraw/zinc/16/23/89/604162389.db2.gz	YRXMYUJCKVAIOK-SECBINFHSA-N	-1	0	251.286	0.985	20	30		CCEDRM
N#C[C@@H]1CN(C(=O)[O-])CCN1C(=O)C[C@@H]1CCCCO1	ZINC000831082572	604222402	/nfs/dbraw/zinc/22/24/02/604222402.db2.gz	OBWOYRFQVLMRGB-MNOVXSKESA-N	-1	0	281.312	0.660	20	30		CCEDRM
Cc1n[nH]c(C(=O)N[C@@H]2CN(CC#N)CC[C@H]2C)c1[O-]	ZINC000965917009	649941636	/nfs/dbraw/zinc/94/16/36/649941636.db2.gz	OHBDMPGFGKKDCO-PSASIEDQSA-N	-1	0	277.328	0.388	20	30		CCEDRM
CC(C)CN(CCC(=O)[O-])C(=O)Cn1cnc(C#N)n1	ZINC000826875591	604287851	/nfs/dbraw/zinc/28/78/51/604287851.db2.gz	DUXSHDMGWDGJGP-UHFFFAOYSA-N	-1	0	279.300	0.109	20	30		CCEDRM
O=C([O-])N1CC(N=Nc2ncccc2[N+](=O)[O-])C1	ZINC000831837539	604305439	/nfs/dbraw/zinc/30/54/39/604305439.db2.gz	ITLKNRIZRHZDOT-UHFFFAOYSA-N	-1	0	251.202	0.751	20	30		CCEDRM
N#Cc1cccc(NC(=O)[C@H]2CN(C(=O)[O-])CCO2)c1	ZINC000831152979	604643094	/nfs/dbraw/zinc/64/30/94/604643094.db2.gz	UCWNIZAISZIKCR-LLVKDONJSA-N	-1	0	275.264	0.876	20	30		CCEDRM
O=C([O-])N1CCO[C@H](C(=O)NCC#Cc2ccccc2)C1	ZINC000831610710	604672077	/nfs/dbraw/zinc/67/20/77/604672077.db2.gz	QNLMEZARBZFMDR-ZDUSSCGKSA-N	-1	0	288.303	0.533	20	30		CCEDRM
N#C[C@H](NC(=O)C[C@@H]1CN(C(=O)[O-])CCO1)C1CC1	ZINC000831070920	604862221	/nfs/dbraw/zinc/86/22/21/604862221.db2.gz	UYACEDNLWKGRAJ-ZJUUUORDSA-N	-1	0	267.285	0.174	20	30		CCEDRM
C[C@H]1CC(=O)CC[C@H]1C(=O)N(CC#N)CC(=O)[O-]	ZINC000833587527	604998813	/nfs/dbraw/zinc/99/88/13/604998813.db2.gz	LFOOPNFJSJPBEC-WCBMZHEXSA-N	-1	0	252.270	0.428	20	30		CCEDRM
C#CCNS(=O)(=O)c1ccc(Cl)nc1C(=O)[O-]	ZINC000833364634	605013839	/nfs/dbraw/zinc/01/38/39/605013839.db2.gz	VOWSFYSPPFUPEY-UHFFFAOYSA-N	-1	0	274.685	0.345	20	30		CCEDRM
C#CCNS(=O)(=O)c1cc(F)ccc1C(=O)[O-]	ZINC000833364497	605013774	/nfs/dbraw/zinc/01/37/74/605013774.db2.gz	SOGHWZUWBGLMCN-UHFFFAOYSA-N	-1	0	257.242	0.435	20	30		CCEDRM
C=CCOc1ccccc1C(=O)NC[C@H](O)C(=O)[O-]	ZINC000090260832	605090478	/nfs/dbraw/zinc/09/04/78/605090478.db2.gz	ZIEZTVIMDDKHAR-JTQLQIEISA-N	-1	0	265.265	0.427	20	30		CCEDRM
N#Cc1nc(N)n(CC2CCN(C(=O)[O-])CC2)c1C#N	ZINC000831162195	605123352	/nfs/dbraw/zinc/12/33/52/605123352.db2.gz	XHFBHTZESMZRNR-UHFFFAOYSA-N	-1	0	274.284	0.599	20	30		CCEDRM
N#CC1CCN(C(=O)CO[C@@H]2CCCN(C(=O)[O-])C2)CC1	ZINC000831076354	605283659	/nfs/dbraw/zinc/28/36/59/605283659.db2.gz	KSGPHKASHALJHO-GFCCVEGCSA-N	-1	0	295.339	0.908	20	30		CCEDRM
N#Cc1cc(C(=O)NC[C@@H]2CCN(C(=O)[O-])C2)c[nH]1	ZINC000833970873	605311502	/nfs/dbraw/zinc/31/15/02/605311502.db2.gz	VVIGMNYVUKDEEE-QMMMGPOBSA-N	-1	0	262.269	0.616	20	30		CCEDRM
N#CC1(NC(=O)C[C@H]2CSCCN2C(=O)[O-])CC1	ZINC000831070816	605435353	/nfs/dbraw/zinc/43/53/53/605435353.db2.gz	SMAPLPHJNYKVBJ-QMMMGPOBSA-N	-1	0	269.326	0.644	20	30		CCEDRM
N#C[C@@H]1CN(C(=O)CC[C@@H]2CCN(C(=O)[O-])C2)CCO1	ZINC000833966140	605458809	/nfs/dbraw/zinc/45/88/09/605458809.db2.gz	ICAPJJGYRJAJMG-GHMZBOCLSA-N	-1	0	281.312	0.517	20	30		CCEDRM
N#CC1(NC(=O)CC[C@H]2CCN(C(=O)[O-])C2)CC1	ZINC000833963129	605472666	/nfs/dbraw/zinc/47/26/66/605472666.db2.gz	HEDYMKLMMSWOEF-VIFPVBQESA-N	-1	0	251.286	0.939	20	30		CCEDRM
N#C[C@H](C(=O)CC[C@@H]1CCCN1C(=O)[O-])C(=O)NC1CC1	ZINC000833962259	605488424	/nfs/dbraw/zinc/48/84/24/605488424.db2.gz	YEZQZXTUOPPFEU-WDEREUQCSA-N	-1	0	293.323	0.896	20	30		CCEDRM
C#CCCCCC(=O)N1CC(n2cc(C(=O)[O-])nn2)C1	ZINC000236467781	605535707	/nfs/dbraw/zinc/53/57/07/605535707.db2.gz	GQOPJTMAWBBQNG-UHFFFAOYSA-N	-1	0	276.296	0.553	20	30		CCEDRM
C#CCNC(=O)N(C1CC1)[C@H]1CCN(C(=O)[O-])C1	ZINC000823455593	605598413	/nfs/dbraw/zinc/59/84/13/605598413.db2.gz	FFQNDIZWCMWJDX-JTQLQIEISA-N	-1	0	251.286	0.546	20	30		CCEDRM
N#CCN(CC#N)C(=O)CO[C@@H]1CCCN(C(=O)[O-])C1	ZINC000831097500	605682413	/nfs/dbraw/zinc/68/24/13/605682413.db2.gz	KBORWMLQXPEXOD-SNVBAGLBSA-N	-1	0	280.284	0.021	20	30		CCEDRM
Cc1onc(CC(=O)NC[C@H](C)CNC(=O)[O-])c1C#N	ZINC000833934842	605697878	/nfs/dbraw/zinc/69/78/78/605697878.db2.gz	CSGPIEQDPWMDNZ-ZETCQYMHSA-N	-1	0	280.284	0.417	20	30		CCEDRM
N#C[C@H]1CN(C(=O)[O-])CCN1S(=O)(=O)CCC1CC1	ZINC000833965929	605700863	/nfs/dbraw/zinc/70/08/63/605700863.db2.gz	GKRXMZWFCMAQHV-JTQLQIEISA-N	-1	0	287.341	0.304	20	30		CCEDRM
N#Cc1ccc(C(=O)N2CCCN(C(=O)[O-])CC2)[nH]1	ZINC000833972707	605851348	/nfs/dbraw/zinc/85/13/48/605851348.db2.gz	GKSXURRKJHONRF-UHFFFAOYSA-N	-1	0	262.269	0.712	20	30		CCEDRM
N#Cc1ccc(C(=O)N2CCN(C(=O)[O-])C[C@H]2C#N)[nH]1	ZINC000833974795	605879523	/nfs/dbraw/zinc/87/95/23/605879523.db2.gz	XGHMKFWSHYSYBQ-SECBINFHSA-N	-1	0	273.252	0.214	20	30		CCEDRM
N#C[C@H]1CN(C(=O)[C@@H]2CC23CCN(C(=O)[O-])CC3)CCO1	ZINC000833968512	605919937	/nfs/dbraw/zinc/91/99/37/605919937.db2.gz	VYBSTNRNQHOWGT-QWRGUYRKSA-N	-1	0	293.323	0.517	20	30		CCEDRM
N#CCN1CCN(C(=O)CCCCNC(=O)[O-])CC1	ZINC000833967969	605923726	/nfs/dbraw/zinc/92/37/26/605923726.db2.gz	VYAJYUOOLZFHRZ-UHFFFAOYSA-N	-1	0	268.317	0.092	20	30		CCEDRM
N#C[C@H]1CSCCN1C(=O)[C@]1(F)CCN(C(=O)[O-])C1	ZINC000833966087	605978630	/nfs/dbraw/zinc/97/86/30/605978630.db2.gz	HLDMIHLRUUNOAS-KWQFWETISA-N	-1	0	287.316	0.546	20	30		CCEDRM
N#C[C@@H](OC(=O)CNC(=O)CNC(=O)[O-])C1CCCCC1	ZINC000833964335	606018888	/nfs/dbraw/zinc/01/88/88/606018888.db2.gz	GKKGJVFJVROZMJ-SNVBAGLBSA-N	-1	0	297.311	0.386	20	30		CCEDRM
C#CCCS(=O)(=O)[N-]C(=O)C(F)(F)CC=C	ZINC000816056328	613052481	/nfs/dbraw/zinc/05/24/81/613052481.db2.gz	NPDKOKKRISMUFS-UHFFFAOYSA-N	-1	0	251.254	0.667	20	30		CCEDRM
C#CCCS(=O)(=O)[N-]C(=O)CCc1cnn(C)c1C	ZINC000810785469	613052837	/nfs/dbraw/zinc/05/28/37/613052837.db2.gz	IGSHAYCCOUHXMP-UHFFFAOYSA-N	-1	0	283.353	0.130	20	30		CCEDRM
C#CCCS(=O)(=O)[N-]C(=O)[C@@H]1CCCC[C@H]1OC	ZINC000816056393	613053143	/nfs/dbraw/zinc/05/31/43/613053143.db2.gz	QUKQIMCMDBVEED-GHMZBOCLSA-N	-1	0	273.354	0.661	20	30		CCEDRM
C#CC[C@H](NC(=O)c1ccc(C)nc1NC)C(=O)[O-]	ZINC000910052078	613070183	/nfs/dbraw/zinc/07/01/83/613070183.db2.gz	NPMJETIPIZDBIG-JTQLQIEISA-N	-1	0	261.281	0.638	20	30		CCEDRM
C#CC[C@H]1CCCN(C(=O)N=c2nn[n-]n2CC)C1	ZINC000888322423	613072010	/nfs/dbraw/zinc/07/20/10/613072010.db2.gz	DTIHUBRQIXJXPE-JTQLQIEISA-N	-1	0	262.317	0.382	20	30		CCEDRM
C#C[C@@H](NC(=O)c1csc(C(=O)[O-])n1)[C@@H]1CCCO1	ZINC000911579741	613099419	/nfs/dbraw/zinc/09/94/19/613099419.db2.gz	PLFRDAITJBRRFY-APPZFPTMSA-N	-1	0	280.305	0.752	20	30		CCEDRM
C#CCN(CC#CC)C(=O)N[C@@H]1CCN(C(=O)[O-])C1	ZINC000823451243	613099928	/nfs/dbraw/zinc/09/99/28/613099928.db2.gz	QWFJVBFQTHJAEB-LLVKDONJSA-N	-1	0	263.297	0.407	20	30		CCEDRM
C=C(Cl)C[C@@H](NS(=O)(=O)C[C@H](C)COC)C(=O)[O-]	ZINC000871995584	613388680	/nfs/dbraw/zinc/38/86/80/613388680.db2.gz	BSYARGVRRSEJBH-VXNVDRBHSA-N	-1	0	299.776	0.784	20	30		CCEDRM
C#CCC(C)(C)C(=O)[N-]S(=O)(=O)c1c(C)onc1N	ZINC000810832212	612965957	/nfs/dbraw/zinc/96/59/57/612965957.db2.gz	ICCJEHPYIVXESN-UHFFFAOYSA-N	-1	0	285.325	0.420	20	30		CCEDRM
CC(C)(CO)O[N-]C(=O)C1(C#N)CCSCC1	ZINC000821232069	614122217	/nfs/dbraw/zinc/12/22/17/614122217.db2.gz	OVCPKSZVIWWYKT-UHFFFAOYSA-N	-1	0	258.343	0.842	20	30		CCEDRM
CC(C)CO[C@H](C)C(=O)N1CCN(C(=O)[O-])C[C@@H]1C#N	ZINC000824267991	614173136	/nfs/dbraw/zinc/17/31/36/614173136.db2.gz	IOHBOIDFGYVUNG-MNOVXSKESA-N	-1	0	283.328	0.762	20	30		CCEDRM
C#CCCCCC(=O)[N-]S(=O)(=O)c1c(C)cnn1C	ZINC000813986030	612975770	/nfs/dbraw/zinc/97/57/70/612975770.db2.gz	YSXOBFOCNZCZJP-UHFFFAOYSA-N	-1	0	283.353	0.727	20	30		CCEDRM
C#CCCCCCC(=O)N1CCNC(=O)[C@H]1CC(=O)[O-]	ZINC000833361663	612976152	/nfs/dbraw/zinc/97/61/52/612976152.db2.gz	GLTYJOSDPHZDRU-LLVKDONJSA-N	-1	0	280.324	0.372	20	30		CCEDRM
C#CCCCCCC(=O)NCCC(=O)[N-]S(C)(=O)=O	ZINC000800549800	612976356	/nfs/dbraw/zinc/97/63/56/612976356.db2.gz	NODLUORVXQAXQC-UHFFFAOYSA-N	-1	0	288.369	0.152	20	30		CCEDRM
CSCCO[N-]C(=O)[C@@H](C)n1cnc(C#N)n1	ZINC000799004492	617238855	/nfs/dbraw/zinc/23/88/55/617238855.db2.gz	DEVVHOUYHJPMIK-SSDOTTSWSA-N	-1	0	255.303	0.122	20	30		CCEDRM
CSC[C@H](CCO)NC(=O)[C@@](C)(C#N)CC(=O)[O-]	ZINC000820906255	617254244	/nfs/dbraw/zinc/25/42/44/617254244.db2.gz	UQCYFGQQAXNULR-GZMMTYOYSA-N	-1	0	274.342	0.221	20	30		CCEDRM
C#CC1CCN(C(=O)NCC(=O)[N-]OCC)CC1	ZINC000845537763	612963363	/nfs/dbraw/zinc/96/33/63/612963363.db2.gz	ZBHYQXJNQIITCO-UHFFFAOYSA-N	-1	0	253.302	0.109	20	30		CCEDRM
C#CCC(C)(C)C(=O)[N-]S(=O)(=O)C[C@@H](COC)OC	ZINC000853209335	612965665	/nfs/dbraw/zinc/96/56/65/612965665.db2.gz	JBEDNMKCBMKVFZ-SNVBAGLBSA-N	-1	0	291.369	0.143	20	30		CCEDRM
C#CCCCCC(=O)[N-]S(=O)(=O)c1cnc2n1CCC2	ZINC000802207635	612975851	/nfs/dbraw/zinc/97/58/51/612975851.db2.gz	AMJBHDTUHQONSF-UHFFFAOYSA-N	-1	0	295.364	0.828	20	30		CCEDRM
C#CCOCCC(=O)N1CCC[C@@H](CC(=O)[O-])C1	ZINC000819706323	612977842	/nfs/dbraw/zinc/97/78/42/612977842.db2.gz	WJASZWAVHUXCML-NSHDSACASA-N	-1	0	253.298	0.740	20	30		CCEDRM
C#CCCCCNC(=O)c1cc(S(N)(=O)=O)ccc1[O-]	ZINC000830038231	612978326	/nfs/dbraw/zinc/97/83/26/612978326.db2.gz	DHDJIWVUTZQQIN-UHFFFAOYSA-N	-1	0	296.348	0.573	20	30		CCEDRM
C#CCCCNC(=O)C(=O)Nc1ccc(C(=O)[O-])cc1	ZINC000825605571	612980999	/nfs/dbraw/zinc/98/09/99/612980999.db2.gz	HVQUQWJDCHCMLY-UHFFFAOYSA-N	-1	0	274.276	0.853	20	30		CCEDRM
C#CCCCNC(=O)c1ccc([N-]S(C)(=O)=O)nc1	ZINC000859668893	612982507	/nfs/dbraw/zinc/98/25/07/612982507.db2.gz	MTPJDWQQKVXTCI-UHFFFAOYSA-N	-1	0	281.337	0.596	20	30		CCEDRM
C#CCOCC[N-]S(=O)(=O)N=[S@](C)(=O)C(C)(C)C	ZINC000872471047	612989718	/nfs/dbraw/zinc/98/97/18/612989718.db2.gz	MKXVLAXWZPOOBT-QGZVFWFLSA-N	-1	0	296.414	0.367	20	30		CCEDRM
C#CCOCCOC(=O)c1ccc([N-]S(C)(=O)=O)nc1	ZINC000859923536	612991007	/nfs/dbraw/zinc/99/10/07/612991007.db2.gz	SLYLKXVUERGQKF-UHFFFAOYSA-N	-1	0	298.320	0.260	20	30		CCEDRM
C#CCO[N-]C(=O)COc1ccc2ccc(=O)oc2c1	ZINC000812781169	612992025	/nfs/dbraw/zinc/99/20/25/612992025.db2.gz	IZUMCCWDUCNWEI-UHFFFAOYSA-N	-1	0	273.244	0.853	20	30		CCEDRM
C#CCO[N-]C(=O)COCCNC(=O)OC(C)(C)C	ZINC000812786791	612992122	/nfs/dbraw/zinc/99/21/22/612992122.db2.gz	VOBPOGUWIGVSLE-UHFFFAOYSA-N	-1	0	272.301	0.209	20	30		CCEDRM
C#CCO[N-]C(=O)[C@@H]1CC[C@H](C(F)(F)F)NC1=O	ZINC000812782474	612992785	/nfs/dbraw/zinc/99/27/85/612992785.db2.gz	ULXHRMDMCUGSCT-RNFRBKRXSA-N	-1	0	264.203	0.125	20	30		CCEDRM
C#CCO[C@@H](C)C(=O)N1Cc2cc(C(=O)[O-])nn2C[C@H]1C	ZINC000908441057	612995659	/nfs/dbraw/zinc/99/56/59/612995659.db2.gz	YHWMZNJHBHDOTP-ZJUUUORDSA-N	-1	0	291.307	0.350	20	30		CCEDRM
C#CCO[C@@H](C)C(=O)[N-]S(=O)(=O)c1ccsc1	ZINC000835229404	612997116	/nfs/dbraw/zinc/99/71/16/612997116.db2.gz	SSZGSPCFYKPUPN-QMMMGPOBSA-N	-1	0	273.335	0.591	20	30		CCEDRM
C#CCO[C@H](C)C(=O)N1CC(F)(F)C[C@H]1C(=O)[O-]	ZINC000910435383	612999213	/nfs/dbraw/zinc/99/92/13/612999213.db2.gz	JQVMVRWLMVUJPC-SFYZADRCSA-N	-1	0	261.224	0.346	20	30		CCEDRM
C#CCO[C@H](C)C(=O)NCCc1ncc(C(=O)[O-])s1	ZINC000910999714	613001531	/nfs/dbraw/zinc/00/15/31/613001531.db2.gz	BETPHRQZIFMBEC-MRVPVSSYSA-N	-1	0	282.321	0.538	20	30		CCEDRM
C#CCOc1ccc(C(=O)NC[C@](C)(O)C(=O)[O-])cc1	ZINC000911473003	613005488	/nfs/dbraw/zinc/00/54/88/613005488.db2.gz	LNZDISOQCXFKHT-AWEZNQCLSA-N	-1	0	277.276	0.264	20	30		CCEDRM
C#CC[C@@H](CCOC)NC(=O)c1c[n-]n2c1nccc2=O	ZINC000863781964	613022363	/nfs/dbraw/zinc/02/23/63/613022363.db2.gz	SGTNLHMTTBKGOS-JTQLQIEISA-N	-1	0	288.307	0.181	20	30		CCEDRM
C#CC[C@@H](CO)NC(=O)c1ccc([N+](=O)[O-])cc1[O-]	ZINC000816670755	613029040	/nfs/dbraw/zinc/02/90/40/613029040.db2.gz	DTYFFOALNRUVTL-QMMMGPOBSA-N	-1	0	264.237	0.414	20	30		CCEDRM
C#CC[C@@H](Cc1ccccc1)NC(=O)c1n[nH]c(=O)[n-]1	ZINC000807689807	613039140	/nfs/dbraw/zinc/03/91/40/613039140.db2.gz	KWVQPTNUHBJIBN-NSHDSACASA-N	-1	0	270.292	0.875	20	30		CCEDRM
C#CC[C@@H](NC(=O)CSCc1cccnc1)C(=O)[O-]	ZINC000910050948	613040049	/nfs/dbraw/zinc/04/00/49/613040049.db2.gz	BFSYLPLBKVOXRT-LLVKDONJSA-N	-1	0	278.333	0.908	20	30		CCEDRM
C#CC[C@@H](NC(=O)CSCC(F)(F)F)C(=O)[O-]	ZINC000910054853	613040076	/nfs/dbraw/zinc/04/00/76/613040076.db2.gz	YRDUGEKDVGQYJK-ZCFIWIBFSA-N	-1	0	269.244	0.875	20	30		CCEDRM
C#CC[C@@H](NC(=O)[C@@H](Cc1ccccc1)OC)C(=O)[O-]	ZINC000910050151	613040598	/nfs/dbraw/zinc/04/05/98/613040598.db2.gz	GLYCIARQGDJZBA-CHWSQXEVSA-N	-1	0	275.304	0.837	20	30		CCEDRM
C#CC[C@@H](NC(=O)[C@@H]1CCCN1C(=O)NC(C)C)C(=O)[O-]	ZINC000910046046	613040717	/nfs/dbraw/zinc/04/07/17/613040717.db2.gz	KLSGBZNDMAKWAE-MNOVXSKESA-N	-1	0	295.339	0.162	20	30		CCEDRM
C#CC[C@@H](NC(=O)[C@@H]1CCCN1c1nccs1)C(=O)[O-]	ZINC000910051751	613040818	/nfs/dbraw/zinc/04/08/18/613040818.db2.gz	ZUWUPSREENUCIF-ZJUUUORDSA-N	-1	0	293.348	0.705	20	30		CCEDRM
C#CC[C@@H](NC(=O)c1c(C)nn(CC(F)F)c1C)C(=O)[O-]	ZINC000910048514	613041466	/nfs/dbraw/zinc/04/14/66/613041466.db2.gz	LJLBFOIUSDZXPB-SECBINFHSA-N	-1	0	299.277	0.971	20	30		CCEDRM
C#CC[C@@H](NC(=O)c1cccc(OCC(F)F)n1)C(=O)[O-]	ZINC000910048173	613041932	/nfs/dbraw/zinc/04/19/32/613041932.db2.gz	GHFFBTUYEMAVFU-SECBINFHSA-N	-1	0	298.245	0.932	20	30		CCEDRM
C#CCCNS(=O)(=O)c1ccccc1C(=O)[O-]	ZINC000833365100	613048157	/nfs/dbraw/zinc/04/81/57/613048157.db2.gz	JJFANCMRXDJRMS-UHFFFAOYSA-N	-1	0	253.279	0.686	20	30		CCEDRM
C#CCCS(=O)(=O)[N-]C(=O)CCc1c(C)nn(C)c1C	ZINC000791110554	613052724	/nfs/dbraw/zinc/05/27/24/613052724.db2.gz	FQQIKINAHOGBDR-UHFFFAOYSA-N	-1	0	297.380	0.439	20	30		CCEDRM
C#CCCS(=O)(=O)[N-]C(=O)CC1CCOCC1	ZINC000810785205	613052749	/nfs/dbraw/zinc/05/27/49/613052749.db2.gz	ZSPZHFLYUXOJGH-UHFFFAOYSA-N	-1	0	259.327	0.272	20	30		CCEDRM
C#CCCS(=O)(=O)[N-]C(=O)[C@@H]1C[C@H]1C1CCOCC1	ZINC000870330963	613053113	/nfs/dbraw/zinc/05/31/13/613053113.db2.gz	IRFUDTMVEDRQIQ-NWDGAFQWSA-N	-1	0	285.365	0.518	20	30		CCEDRM
C#CCCS(=O)(=O)[N-]C(=O)[C@H]1Cc2ccc(F)cc21	ZINC000810784613	613053327	/nfs/dbraw/zinc/05/33/27/613053327.db2.gz	LOVXHEUVVPDOIO-LBPRGKRZSA-N	-1	0	281.308	0.935	20	30		CCEDRM
C#CCCS(=O)(=O)[N-]C(=O)[C@H](OCC)C(C)C	ZINC000860721486	613053376	/nfs/dbraw/zinc/05/33/76/613053376.db2.gz	FWOJBOMENDRQAM-SNVBAGLBSA-N	-1	0	261.343	0.517	20	30		CCEDRM
C#CCCS(=O)(=O)[N-]C(=O)c1cccc2c1OCO2	ZINC000798202380	613053723	/nfs/dbraw/zinc/05/37/23/613053723.db2.gz	BHMGMDPXCXKEIT-UHFFFAOYSA-N	-1	0	281.289	0.498	20	30		CCEDRM
C#CCCS(=O)(=O)[N-]C(=O)c1conc1CC	ZINC000860721306	613053811	/nfs/dbraw/zinc/05/38/11/613053811.db2.gz	COICZBRAUGKXOR-UHFFFAOYSA-N	-1	0	256.283	0.320	20	30		CCEDRM
C#CCCS(=O)(=O)[N-]C(=O)c1cn(C)nc1C1CC1	ZINC000810784227	613053830	/nfs/dbraw/zinc/05/38/30/613053830.db2.gz	XGNBWYYDQXFNJJ-UHFFFAOYSA-N	-1	0	281.337	0.380	20	30		CCEDRM
C#CC[C@H](CO)NC(=O)c1cc(C(=O)[O-])cnc1C	ZINC000911394886	613057536	/nfs/dbraw/zinc/05/75/36/613057536.db2.gz	GXPBOSYACXYAMG-SNVBAGLBSA-N	-1	0	262.265	0.202	20	30		CCEDRM
C#CC[C@H](NC(=O)CCCC(=O)N(CC)CC)C(=O)[O-]	ZINC000910053968	613067624	/nfs/dbraw/zinc/06/76/24/613067624.db2.gz	GHCAFKSDMYCQDV-NSHDSACASA-N	-1	0	282.340	0.618	20	30		CCEDRM
C#CC[C@H](NC(=O)CCCn1ccnc1C)C(=O)[O-]	ZINC000910050984	613067678	/nfs/dbraw/zinc/06/76/78/613067678.db2.gz	COXBBPNRYPCVAG-NSHDSACASA-N	-1	0	263.297	0.564	20	30		CCEDRM
C#CC[C@H](NC(=O)C1(c2cccnc2)CC1)C(=O)[O-]	ZINC000910049981	613067723	/nfs/dbraw/zinc/06/77/23/613067723.db2.gz	BGPWCQWVKHBLHI-NSHDSACASA-N	-1	0	258.277	0.706	20	30		CCEDRM
C#CC[C@H](NC(=O)CNC(=O)CCC1CCCC1)C(=O)[O-]	ZINC000910054537	613067883	/nfs/dbraw/zinc/06/78/83/613067883.db2.gz	PPONJOZLNCLNGI-LBPRGKRZSA-N	-1	0	294.351	0.666	20	30		CCEDRM
C#CC[C@H](NC(=O)CCn1cc(Cl)cn1)C(=O)[O-]	ZINC000910049019	613067894	/nfs/dbraw/zinc/06/78/94/613067894.db2.gz	RBPRAZIMBHELLC-VIFPVBQESA-N	-1	0	269.688	0.519	20	30		CCEDRM
C#CC[C@H](NC(=O)COCCOc1ccccc1)C(=O)[O-]	ZINC000910052780	613067911	/nfs/dbraw/zinc/06/79/11/613067911.db2.gz	IKCODOTXWMBVTR-ZDUSSCGKSA-N	-1	0	291.303	0.675	20	30		CCEDRM
C#CC[C@H](NC(=O)[C@@H](C)Oc1cccnc1)C(=O)[O-]	ZINC000910050658	613068499	/nfs/dbraw/zinc/06/84/99/613068499.db2.gz	MXOXAXQVYJFXEE-KOLCDFICSA-N	-1	0	262.265	0.442	20	30		CCEDRM
C#CC[C@H](NC(=O)[C@]1(OC)CCSC1)C(=O)[O-]	ZINC000910049509	613069759	/nfs/dbraw/zinc/06/97/59/613069759.db2.gz	WFRIOAOAZPWUJG-KWQFWETISA-N	-1	0	257.311	0.101	20	30		CCEDRM
C#CC[C@H](NC(=O)c1c(C)nsc1C)C(=O)[O-]	ZINC000910051696	613069925	/nfs/dbraw/zinc/06/99/25/613069925.db2.gz	YQVMGQKTZFFSJF-QMMMGPOBSA-N	-1	0	252.295	0.966	20	30		CCEDRM
C#CC[C@H](NC(=O)c1cc(C(C)C)n(C)n1)C(=O)[O-]	ZINC000910054105	613069984	/nfs/dbraw/zinc/06/99/84/613069984.db2.gz	JCMIEXJXDKSUPO-VIFPVBQESA-N	-1	0	263.297	0.750	20	30		CCEDRM
C#CCN(CC#C)CC(=O)N(C)c1ccccc1C(=O)[O-]	ZINC000825609230	613098979	/nfs/dbraw/zinc/09/89/79/613098979.db2.gz	YPKDUYQARUVDSE-UHFFFAOYSA-N	-1	0	284.315	0.916	20	30		CCEDRM
C#CCN(CC(=O)[O-])S(=O)(=O)c1c[nH]c(C(C)C)n1	ZINC000849218925	613103969	/nfs/dbraw/zinc/10/39/69/613103969.db2.gz	CAERAXGAQFENIC-UHFFFAOYSA-N	-1	0	285.325	0.242	20	30		CCEDRM
C#CCN(CC(=O)OC(C)(C)C)Cc1n[nH]c(=O)[n-]1	ZINC000852428245	613104808	/nfs/dbraw/zinc/10/48/08/613104808.db2.gz	GYSQPGFVOSLBQF-UHFFFAOYSA-N	-1	0	266.301	0.287	20	30		CCEDRM
C#CCN(CC)C(=O)Cc1cc(=O)n(CC(C)C)[n-]1	ZINC000930580237	613105630	/nfs/dbraw/zinc/10/56/30/613105630.db2.gz	QOHWOAXCNHPKRX-UHFFFAOYSA-N	-1	0	263.341	0.857	20	30		CCEDRM
C#C[C@H](C)NS(=O)(=O)c1cccc(C(=O)[O-])c1C	ZINC000122965750	613119007	/nfs/dbraw/zinc/11/90/07/613119007.db2.gz	IDNQHGWXEVQXBN-QMMMGPOBSA-N	-1	0	267.306	0.993	20	30		CCEDRM
C#C[C@H](C)NS(=O)(=O)N=S1(=O)CCCC1	ZINC000820796892	613119011	/nfs/dbraw/zinc/11/90/11/613119011.db2.gz	XITTXFTZJRTLQP-QMMMGPOBSA-N	-1	0	250.345	0.104	20	30		CCEDRM
C#C[C@H](NC(=O)C1(C(=O)[O-])CCOCC1)[C@@H]1CCCO1	ZINC000911577159	613132220	/nfs/dbraw/zinc/13/22/20/613132220.db2.gz	BDDGVRPHXXBAKB-QWRGUYRKSA-N	-1	0	281.308	0.165	20	30		CCEDRM
C#CCN1CCC(NS(=O)(=O)c2ccccc2[O-])CC1	ZINC000921437425	613138580	/nfs/dbraw/zinc/13/85/80/613138580.db2.gz	XDDQXMKRNYWJOY-UHFFFAOYSA-N	-1	0	294.376	0.768	20	30		CCEDRM
C#C[C@H](NC(=O)NCCCCC(=O)[O-])[C@@H]1CCCO1	ZINC000840988733	613139358	/nfs/dbraw/zinc/13/93/58/613139358.db2.gz	LSCLRXJSKKNUDY-QWRGUYRKSA-N	-1	0	268.313	0.721	20	30		CCEDRM
COc1ccccc1C(=O)N[C@H]1CCN(O)C1=O	ZINC000816695475	617313615	/nfs/dbraw/zinc/31/36/15/617313615.db2.gz	CWCRWXHKYGTEFD-VIFPVBQESA-N	-1	0	250.254	0.415	20	30		CCEDRM
C#C[C@H](NC(=O)c1cc(C(=O)[O-])co1)[C@H]1CCCO1	ZINC000911577940	613148304	/nfs/dbraw/zinc/14/83/04/613148304.db2.gz	GDBXITAZIDDDKX-VHSXEESVSA-N	-1	0	263.249	0.888	20	30		CCEDRM
C#C[C@H](NS(=O)(=O)c1cc([O-])cc(F)c1)[C@H]1CCCO1	ZINC000867125819	613152434	/nfs/dbraw/zinc/15/24/34/613152434.db2.gz	ZHZPLJHPOXMQAR-QWHCGFSZSA-N	-1	0	299.323	0.990	20	30		CCEDRM
C#Cc1ccc(C(=O)N(C)[C@H]2CCN(C(=O)[O-])C2)nc1	ZINC000823466599	613166710	/nfs/dbraw/zinc/16/67/10/613166710.db2.gz	FVDKDGAEAMLJPQ-NSHDSACASA-N	-1	0	273.292	0.887	20	30		CCEDRM
C#Cc1ccc(C(=O)N[C@H]2CCO[C@H]2C(=O)[O-])cc1	ZINC000909942538	613190856	/nfs/dbraw/zinc/19/08/56/613190856.db2.gz	HBYOOCFFXQLWRZ-NWDGAFQWSA-N	-1	0	259.261	0.640	20	30		CCEDRM
C#CCN1CCC[C@H]1C(=O)NCC(C)(C)C(=O)[O-]	ZINC000825618935	613198465	/nfs/dbraw/zinc/19/84/65/613198465.db2.gz	IADQWKHLBFUVJF-JTQLQIEISA-N	-1	0	252.314	0.311	20	30		CCEDRM
C#CCN1CCC[C@H]1C(=O)N[C@H](CC(F)F)C(=O)[O-]	ZINC000833364016	613201974	/nfs/dbraw/zinc/20/19/74/613201974.db2.gz	CTBASEZISQXHSF-BDAKNGLRSA-N	-1	0	274.267	0.309	20	30		CCEDRM
C#Cc1cncc(C(=O)N(C)[C@H]2C[C@@H](C(=O)[O-])C2)c1	ZINC000909991388	613211641	/nfs/dbraw/zinc/21/16/41/613211641.db2.gz	XXXKPZGMIIUOCR-KLPPZKSPSA-N	-1	0	258.277	0.998	20	30		CCEDRM
C=C(C)CN(CC)C(=O)CN1CCO[C@@H](C(=O)[O-])C1	ZINC000043710790	613292773	/nfs/dbraw/zinc/29/27/73/613292773.db2.gz	CJTVDSIJULSSNJ-LLVKDONJSA-N	-1	0	270.329	0.196	20	30		CCEDRM
C=C(C)CN(CC)C(=O)CN1CC[C@](F)(C(=O)[O-])C1	ZINC000825642293	613293246	/nfs/dbraw/zinc/29/32/46/613293246.db2.gz	MXWWEXVKUITTEM-CYBMUJFWSA-N	-1	0	272.320	0.910	20	30		CCEDRM
C=C(C)C[C@@H](NC(=O)NCCc1cn(C)cn1)C(=O)[O-]	ZINC000909024286	613355880	/nfs/dbraw/zinc/35/58/80/613355880.db2.gz	CHEGXFKAAFFUIX-LLVKDONJSA-N	-1	0	280.328	0.681	20	30		CCEDRM
C=C(C)C[C@@H](NC(=O)c1cnnn1CC)C(=O)[O-]	ZINC000910290986	613356175	/nfs/dbraw/zinc/35/61/75/613356175.db2.gz	AYKOEBJENMRJAQ-MRVPVSSYSA-N	-1	0	252.274	0.447	20	30		CCEDRM
C=C(C)C[C@H](NC(=O)COc1cc(C)on1)C(=O)[O-]	ZINC000864188064	613358621	/nfs/dbraw/zinc/35/86/21/613358621.db2.gz	QHPYSSNBYDRNCO-VIFPVBQESA-N	-1	0	268.269	0.897	20	30		CCEDRM
C=C(C)C[C@H](NC(C)=O)C(=O)[N-]S(=O)(=O)CC1CC1	ZINC000850840494	613359469	/nfs/dbraw/zinc/35/94/69/613359469.db2.gz	VGNROHDRJMQSGZ-NSHDSACASA-N	-1	0	288.369	0.313	20	30		CCEDRM
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CCO[C@@](C)(C(=O)[O-])C1	ZINC000910330495	613361097	/nfs/dbraw/zinc/36/10/97/613361097.db2.gz	CBHRZVKRIPDDCX-COPLHBTASA-N	-1	0	283.324	0.670	20	30		CCEDRM
C=C(C)[C@H](CC(=O)N1CCC[C@H](O)[C@H]1C(=O)[O-])OCC	ZINC000911637690	613362292	/nfs/dbraw/zinc/36/22/92/613362292.db2.gz	QRYNMLMBQRFBSW-GVXVVHGQSA-N	-1	0	285.340	0.794	20	30		CCEDRM
C=C(C)[C@H]1OCC[C@H]1C(=O)N(CCC(=O)OC)CC(=O)[O-]	ZINC000902722796	613362961	/nfs/dbraw/zinc/36/29/61/613362961.db2.gz	HWQSIPVTFHTVGZ-ZWNOBZJWSA-N	-1	0	299.323	0.444	20	30		CCEDRM
C=C(CC)Cn1cc(C(=O)OC)cc(-c2nnn[n-]2)c1=O	ZINC000823883576	613363334	/nfs/dbraw/zinc/36/33/34/613363334.db2.gz	UPGXJDMORWDGLT-UHFFFAOYSA-N	-1	0	289.295	0.781	20	30		CCEDRM
C=C(Cl)C[C@@H](NC(=O)COCCOCC)C(=O)[O-]	ZINC000864184947	613388398	/nfs/dbraw/zinc/38/83/98/613388398.db2.gz	UKJQGUFVIHTYAZ-SECBINFHSA-N	-1	0	279.720	0.752	20	30		CCEDRM
C=C(Cl)C[C@@H](NC(=O)Cc1cncn1C)C(=O)[O-]	ZINC000910270654	613388542	/nfs/dbraw/zinc/38/85/42/613388542.db2.gz	JOJAEKSSTDHGFJ-SECBINFHSA-N	-1	0	271.704	0.675	20	30		CCEDRM
C=C(Cl)C[C@@H](NS(=O)(=O)C[C@H](C)OC)C(=O)[O-]	ZINC000871996693	613388739	/nfs/dbraw/zinc/38/87/39/613388739.db2.gz	SOWNXKXPAZZZRK-JGVFFNPUSA-N	-1	0	285.749	0.537	20	30		CCEDRM
C=C(Cl)C[C@H](NC(=O)Cn1ccccc1=O)C(=O)[O-]	ZINC000864188326	613390673	/nfs/dbraw/zinc/39/06/73/613390673.db2.gz	HANDTIDCWCBOSO-VIFPVBQESA-N	-1	0	284.699	0.560	20	30		CCEDRM
C=C(Cl)C[C@H](NC(=O)c1cn(C2CC2)nn1)C(=O)[O-]	ZINC000864185994	613390852	/nfs/dbraw/zinc/39/08/52/613390852.db2.gz	GXWKOWYOYVSNBY-QMMMGPOBSA-N	-1	0	284.703	0.939	20	30		CCEDRM
C=CC[C@@H](CO)CNC(=O)c1ccc(C(=O)[O-])cn1	ZINC000833369768	613402197	/nfs/dbraw/zinc/40/21/97/613402197.db2.gz	DWZWIBUXQNRRRU-SECBINFHSA-N	-1	0	264.281	0.694	20	30		CCEDRM
C=CC[C@@H](NC(=O)CCc1nnn[n-]1)c1ccncc1	ZINC000865892145	613405244	/nfs/dbraw/zinc/40/52/44/613405244.db2.gz	XWYYIWKVGMCBGT-LLVKDONJSA-N	-1	0	272.312	0.961	20	30		CCEDRM
C=C1CCN(C(=O)COC2CN(C(=O)[O-])C2)CC1	ZINC000823486326	613414844	/nfs/dbraw/zinc/41/48/44/613414844.db2.gz	VHBFMOUKXWOJHB-UHFFFAOYSA-N	-1	0	254.286	0.544	20	30		CCEDRM
C=CCn1cc(C(=O)[N-]S(=O)(=O)C2CCCC2)nn1	ZINC000842733471	613429378	/nfs/dbraw/zinc/42/93/78/613429378.db2.gz	FSYJZVWJLQNSEP-UHFFFAOYSA-N	-1	0	284.341	0.466	20	30		CCEDRM
C=CCn1cc(C(=O)N[C@H](CC(=O)[O-])C(F)(F)F)nn1	ZINC000911168722	613430445	/nfs/dbraw/zinc/43/04/45/613430445.db2.gz	ZDQGBRWMTBDIEJ-SSDOTTSWSA-N	-1	0	292.217	0.600	20	30		CCEDRM
C=C[C@@H](C)O[N-]C(=O)C(=O)Nc1cc(OC)cnc1F	ZINC000861899709	613443271	/nfs/dbraw/zinc/44/32/71/613443271.db2.gz	VOOSKOFUVJKAAA-SSDOTTSWSA-N	-1	0	283.259	0.790	20	30		CCEDRM
C=C[C@@H](C)O[N-]C(=O)C(=O)Nc1cnn(C)c1C1CC1	ZINC000846154403	613443326	/nfs/dbraw/zinc/44/33/26/613443326.db2.gz	QLXFPLLTVYGWAT-MRVPVSSYSA-N	-1	0	278.312	0.858	20	30		CCEDRM
C=CC1(S(=O)(=O)[N-]C(=O)/C=C(\C)COC)CC1	ZINC000870839265	613449793	/nfs/dbraw/zinc/44/97/93/613449793.db2.gz	WVVWZJCLXWJTEN-VQHVLOKHSA-N	-1	0	259.327	0.744	20	30		CCEDRM
C=CC1(S(=O)(=O)[N-]C(=O)COC[C@@H]2CCCO2)CC1	ZINC000870833089	613450394	/nfs/dbraw/zinc/45/03/94/613450394.db2.gz	WHUUHHWTQNPBPK-JTQLQIEISA-N	-1	0	289.353	0.347	20	30		CCEDRM
C=CC1(S(=O)(=O)[N-]C(=O)Cn2ccc(C)cc2=O)CC1	ZINC000870836846	613450772	/nfs/dbraw/zinc/45/07/72/613450772.db2.gz	OTZRJUHVCZIPIY-UHFFFAOYSA-N	-1	0	296.348	0.321	20	30		CCEDRM
C=CC1(S(=O)(=O)[N-]C(=O)Cn2nccc2C)CC1	ZINC000870839612	613450822	/nfs/dbraw/zinc/45/08/22/613450822.db2.gz	PDNOPRPBUVWIGR-UHFFFAOYSA-N	-1	0	269.326	0.356	20	30		CCEDRM
C=CC1(S(=O)(=O)[N-]C(=O)[C@@H](N)c2ccccc2)CC1	ZINC000901064365	613451145	/nfs/dbraw/zinc/45/11/45/613451145.db2.gz	NYTVCSVEQRVYOP-NSHDSACASA-N	-1	0	280.349	0.851	20	30		CCEDRM
C=CC1(S(=O)(=O)[N-]C(=O)[C@@H]2O[C@H](C)C[C@@H]2C)CC1	ZINC000870837162	613451152	/nfs/dbraw/zinc/45/11/52/613451152.db2.gz	ZHLUKEZYYFLFFI-IVZWLZJFSA-N	-1	0	273.354	0.965	20	30		CCEDRM
C=CC1(S(=O)(=O)[N-]C(=O)[C@@H]2CCN(C)C(=O)C2)CC1	ZINC000870832725	613451251	/nfs/dbraw/zinc/45/12/51/613451251.db2.gz	DZWDEHRMVWECJC-SECBINFHSA-N	-1	0	286.353	0.019	20	30		CCEDRM
C=CC1(S(=O)(=O)[N-]C(=O)[C@@H]2CCCN2C(C)=O)CC1	ZINC000870839404	613451262	/nfs/dbraw/zinc/45/12/62/613451262.db2.gz	KKTBBUGVRVBVCT-JTQLQIEISA-N	-1	0	286.353	0.162	20	30		CCEDRM
C=CC1(S(=O)(=O)[N-]C(=O)c2cncs2)CC1	ZINC000870838181	613452202	/nfs/dbraw/zinc/45/22/02/613452202.db2.gz	OMBYPQAZLOPMMZ-UHFFFAOYSA-N	-1	0	258.324	0.921	20	30		CCEDRM
C=C[C@@H](O)C(=O)NCc1cc(=O)[nH]c(SC)n1	ZINC000912252578	613452224	/nfs/dbraw/zinc/45/22/24/613452224.db2.gz	ZEXRYYNRVOIUHV-SSDOTTSWSA-N	-1	0	255.299	0.067	20	30		CCEDRM
C=CCC(CC=C)C(=O)[N-]S(=O)(=O)N1CCOCC1	ZINC000151612712	613453453	/nfs/dbraw/zinc/45/34/53/613453453.db2.gz	FOXUYMCPYFAJBK-UHFFFAOYSA-N	-1	0	288.369	0.448	20	30		CCEDRM
C=CCC(CC=C)C(=O)N1CCOC[C@@H]1c1nnn[n-]1	ZINC000913496259	613453608	/nfs/dbraw/zinc/45/36/08/613453608.db2.gz	WUXNRMJQMMEVDP-LLVKDONJSA-N	-1	0	277.328	0.868	20	30		CCEDRM
C=CCC(F)(F)C(=O)[N-]S(=O)(=O)CCC#N	ZINC000835410637	613455037	/nfs/dbraw/zinc/45/50/37/613455037.db2.gz	XKMVJLCHYNQFAS-UHFFFAOYSA-N	-1	0	252.242	0.557	20	30		CCEDRM
C=CCC(F)(F)C(=O)[N-]S(=O)(=O)c1cn(C)c(C)n1	ZINC000839019845	613455085	/nfs/dbraw/zinc/45/50/85/613455085.db2.gz	VFEAVVXMXNXFPM-UHFFFAOYSA-N	-1	0	293.295	0.745	20	30		CCEDRM
C=CCC1(S(=O)(=O)[N-]C(=O)c2ccnn2C)CC1	ZINC000810986905	613461144	/nfs/dbraw/zinc/46/11/44/613461144.db2.gz	RKFRRNXPSKWJIB-UHFFFAOYSA-N	-1	0	269.326	0.588	20	30		CCEDRM
C=CCC1(S(=O)(=O)[N-]C(=O)[C@H](C)NC(=O)CC)CC1	ZINC000810985404	613461453	/nfs/dbraw/zinc/46/14/53/613461453.db2.gz	KLNSISUVCRWLNC-VIFPVBQESA-N	-1	0	288.369	0.456	20	30		CCEDRM
C=CCC1(S(=O)(=O)[N-]C(=O)c2cncnc2)CC1	ZINC000810986398	613461473	/nfs/dbraw/zinc/46/14/73/613461473.db2.gz	YDWWNEDAQLEEGZ-UHFFFAOYSA-N	-1	0	267.310	0.645	20	30		CCEDRM
C=CCCCCCNC(=O)c1cn(CC(=O)[O-])nn1	ZINC000902023451	613465728	/nfs/dbraw/zinc/46/57/28/613465728.db2.gz	XAOXOLJBLZLDHH-UHFFFAOYSA-N	-1	0	266.301	0.839	20	30		CCEDRM
C=C[C@@H]1OCC[C@H]1CNC(=O)N1CCOC[C@H]1C(=O)[O-]	ZINC000909238489	613469021	/nfs/dbraw/zinc/46/90/21/613469021.db2.gz	OYSDVJPYYJHHCA-DCAQKATOSA-N	-1	0	284.312	0.073	20	30		CCEDRM
C=C[C@@H]1OCC[C@H]1CNC(=O)N[C@](C)(COC)C(=O)[O-]	ZINC000909237774	613469737	/nfs/dbraw/zinc/46/97/37/613469737.db2.gz	LAXCFQXEAIUNLG-OUJBWJOFSA-N	-1	0	286.328	0.366	20	30		CCEDRM
C=C[C@@H]1OCC[C@H]1CNC(=O)[C@@H]1CO[C@H](CCC(=O)[O-])C1	ZINC000901682383	613469865	/nfs/dbraw/zinc/46/98/65/613469865.db2.gz	SCENJMZDQOVXRF-RVMXOQNASA-N	-1	0	297.351	0.964	20	30		CCEDRM
C=CCCC[C@@H](NC(=O)[C@@H]1CN(C)CCO1)C(=O)[O-]	ZINC000910918325	613470975	/nfs/dbraw/zinc/47/09/75/613470975.db2.gz	YAJWVODGBYTOGR-MNOVXSKESA-N	-1	0	270.329	0.243	20	30		CCEDRM
C=CCCC[C@@H](NC(=O)[C@H]1COCCN1CC)C(=O)[O-]	ZINC000910923208	613471512	/nfs/dbraw/zinc/47/15/12/613471512.db2.gz	QPRWNUGIUBJBDF-VXGBXAGGSA-N	-1	0	284.356	0.633	20	30		CCEDRM
C=CCCC[C@@H](NC(=O)c1cc(OC)n(C)n1)C(=O)[O-]	ZINC000910926896	613471581	/nfs/dbraw/zinc/47/15/81/613471581.db2.gz	VPFNKIFGHSHNGR-SECBINFHSA-N	-1	0	281.312	0.968	20	30		CCEDRM
C=C[C@@](C)(CC)C(=O)N1CC(n2cc(C(=O)[O-])nn2)C1	ZINC000909506054	613472559	/nfs/dbraw/zinc/47/25/59/613472559.db2.gz	KMSZTMOPRPQNBO-ZDUSSCGKSA-N	-1	0	278.312	0.962	20	30		CCEDRM
C=CCCC[C@H](NC(=O)c1cn(C)cn1)C(=O)[O-]	ZINC000910921724	613474239	/nfs/dbraw/zinc/47/42/39/613474239.db2.gz	DXNFIJHUMOYRNP-VIFPVBQESA-N	-1	0	251.286	0.959	20	30		CCEDRM
C=CCCC[C@H](NS(=O)(=O)C[C@H]1CCOC1)C(=O)[O-]	ZINC000903058318	613474854	/nfs/dbraw/zinc/47/48/54/613474854.db2.gz	FVLGOQPBWXMBOK-QWRGUYRKSA-N	-1	0	291.369	0.752	20	30		CCEDRM
C=CCCC[C@H](NS(=O)(=O)[C@H]1CCO[C@H]1C)C(=O)[O-]	ZINC000903057780	613474880	/nfs/dbraw/zinc/47/48/80/613474880.db2.gz	AIINEGKUVXTKBD-DCAQKATOSA-N	-1	0	291.369	0.893	20	30		CCEDRM
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C=C[C@@](C)(CCOC)C(=O)N1CCO[C@@](C)(C(=O)[O-])C1	ZINC000910330613	613476571	/nfs/dbraw/zinc/47/65/71/613476571.db2.gz	RVCYYBCCCOZRCO-UONOGXRCSA-N	-1	0	285.340	0.917	20	30		CCEDRM
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C=C[C@@](C)(O)C(=O)N[C@H](CC(F)(F)F)C(=O)[O-]	ZINC000909667625	613478929	/nfs/dbraw/zinc/47/89/29/613478929.db2.gz	VWRSYQROVWPYHS-SVGQVSJJSA-N	-1	0	255.192	0.445	20	30		CCEDRM
C=C[C@@](C)(O)C(=O)N[C@H](C)c1ncc(C(=O)[O-])s1	ZINC000910153772	613478944	/nfs/dbraw/zinc/47/89/44/613478944.db2.gz	VFTDSXHKGUTDCA-KSBSHMNSSA-N	-1	0	270.310	0.956	20	30		CCEDRM
C=C[C@H](C)O[N-]C(=O)CNC(=O)NCc1ccco1	ZINC000846549344	613484200	/nfs/dbraw/zinc/48/42/00/613484200.db2.gz	JJVAKSFXXJDLAS-VIFPVBQESA-N	-1	0	267.285	0.701	20	30		CCEDRM
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C=C[C@H](O)C(=O)NC[C@H](Cc1cccc(C)c1)C(=O)[O-]	ZINC000909237667	613495799	/nfs/dbraw/zinc/49/57/99/613495799.db2.gz	IRQHGHZRCWBRHK-STQMWFEESA-N	-1	0	277.320	0.901	20	30		CCEDRM
C=C[C@H](O)C(=O)N[C@H](CC(=O)[O-])c1ccncc1	ZINC000911663206	613497283	/nfs/dbraw/zinc/49/72/83/613497283.db2.gz	NFAZJOWWMVPWIB-ZJUUUORDSA-N	-1	0	250.254	0.261	20	30		CCEDRM
C=C[C@](C)(CCOC)C(=O)N1CCO[C@@H](C(=O)[O-])C1	ZINC000909215413	613505574	/nfs/dbraw/zinc/50/55/74/613505574.db2.gz	DJTZVBUSCWTHMQ-ZWNOBZJWSA-N	-1	0	271.313	0.527	20	30		CCEDRM
C=C[C@](C)(O)C(=O)N1CCC[C@](COC)(C(=O)[O-])C1	ZINC000909717034	613506497	/nfs/dbraw/zinc/50/64/97/613506497.db2.gz	WBANNWWOCAQXCQ-STQMWFEESA-N	-1	0	271.313	0.263	20	30		CCEDRM
C=C[C@](C)(O)C(=O)N[C@H](C)C1(C(=O)[O-])CCOCC1	ZINC000907919370	613508314	/nfs/dbraw/zinc/50/83/14/613508314.db2.gz	KPHFXIVLGVVKOR-SKDRFNHKSA-N	-1	0	271.313	0.310	20	30		CCEDRM
C=C[C@](C)(O)CC(=O)N[C@H](c1nnn[n-]1)c1ccccc1	ZINC000810189206	613509819	/nfs/dbraw/zinc/50/98/19/613509819.db2.gz	MKBGHPZEKVIRCD-JSGCOSHPSA-N	-1	0	287.323	0.732	20	30		CCEDRM
CC#CCCNC(=O)N1CC[C@@H](OC)C[C@@H]1C(=O)[O-]	ZINC000909032542	613521804	/nfs/dbraw/zinc/52/18/04/613521804.db2.gz	XCVNRSJSMIMXGJ-GHMZBOCLSA-N	-1	0	268.313	0.673	20	30		CCEDRM
CC#CCCNC(=O)N1C[C@H](C(=O)OC)CC[C@H]1C(=O)[O-]	ZINC000909030190	613522444	/nfs/dbraw/zinc/52/24/44/613522444.db2.gz	ASYSPAKUTHKNCJ-MNOVXSKESA-N	-1	0	296.323	0.448	20	30		CCEDRM
CC#CCN(C)S(=O)(=O)c1cc(C(=O)[O-])oc1C	ZINC000871969320	613524790	/nfs/dbraw/zinc/52/47/90/613524790.db2.gz	KLZLSCMKEFWAQQ-UHFFFAOYSA-N	-1	0	271.294	0.930	20	30		CCEDRM
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C=CCCS(=O)(=O)NCCCN(C)C(=O)[O-]	ZINC000823500166	613581241	/nfs/dbraw/zinc/58/12/41/613581241.db2.gz	ABBXYVDRJKAPDB-UHFFFAOYSA-N	-1	0	250.320	0.482	20	30		CCEDRM
C=CCC[C@@H](NC(=O)Nc1ccnn1C)C(=O)[O-]	ZINC000900327817	613584927	/nfs/dbraw/zinc/58/49/27/613584927.db2.gz	AVBWUIYUIIYRCA-MRVPVSSYSA-N	-1	0	252.274	0.961	20	30		CCEDRM
C=CCC[C@H](CO)NC(=O)N[C@H]1C[C@@H](C(=O)[O-])C1	ZINC000874417670	613588449	/nfs/dbraw/zinc/58/84/49/613588449.db2.gz	OQGKIUDBENYIHF-BBBLOLIVSA-N	-1	0	256.302	0.476	20	30		CCEDRM
C=CCC[C@H](NC(=O)[C@H](OCC)[C@@H]1CCOC1)C(=O)[O-]	ZINC000864142694	613589877	/nfs/dbraw/zinc/58/98/77/613589877.db2.gz	NQCOPXIZIMTOSN-GRYCIOLGSA-N	-1	0	285.340	0.964	20	30		CCEDRM
C=CCC[C@H](NS(=O)(=O)N(C)[C@@H](C)CC#N)C(=O)[O-]	ZINC000844787167	613590535	/nfs/dbraw/zinc/59/05/35/613590535.db2.gz	SUASZKQRWVVIJT-UWVGGRQHSA-N	-1	0	289.357	0.474	20	30		CCEDRM
CC#CCS(=O)(=O)[N-]C(=O)CCC(=O)N(CC)CC	ZINC000810773306	613645793	/nfs/dbraw/zinc/64/57/93/613645793.db2.gz	YROJHHXSSFRNSS-UHFFFAOYSA-N	-1	0	288.369	0.104	20	30		CCEDRM
C=CCN(CC(=O)[O-])C(=O)NCCN(C)CC(F)(F)F	ZINC000908926271	613642549	/nfs/dbraw/zinc/64/25/49/613642549.db2.gz	ZMQIZLAYIRXOPG-UHFFFAOYSA-N	-1	0	297.277	0.763	20	30		CCEDRM
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CC#CCS(=O)(=O)[N-]C(=O)[C@@H]1CCC[C@@H]2C[C@@H]21	ZINC000850999826	613646739	/nfs/dbraw/zinc/64/67/39/613646739.db2.gz	KVWJMTNAZIBFNP-MXWKQRLJSA-N	-1	0	255.339	0.892	20	30		CCEDRM
CC#CCS(=O)(=O)[N-]C(=O)[C@@H]1C[C@H](C)O[C@H]1C	ZINC000870329381	613646798	/nfs/dbraw/zinc/64/67/98/613646798.db2.gz	DROBGOFGNIALAU-LPEHRKFASA-N	-1	0	259.327	0.269	20	30		CCEDRM
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CC#CCS(=O)(=O)[N-]C(=O)[C@H]1CCOC[C@@H]1C	ZINC000810773926	613647116	/nfs/dbraw/zinc/64/71/16/613647116.db2.gz	PLHQAAHEORMWFO-UWVGGRQHSA-N	-1	0	259.327	0.128	20	30		CCEDRM
CC#CCS(=O)(=O)[N-]C(=O)c1ccc(OC)cc1F	ZINC000798203048	613647585	/nfs/dbraw/zinc/64/75/85/613647585.db2.gz	RLCAJNHGTOWINJ-UHFFFAOYSA-N	-1	0	285.296	0.917	20	30		CCEDRM
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CC#CCS(=O)(=O)[N-]C(=O)c1nc(C)c(C)s1	ZINC000810775552	613648020	/nfs/dbraw/zinc/64/80/20/613648020.db2.gz	KJDHAWLZUFWCBQ-UHFFFAOYSA-N	-1	0	272.351	0.843	20	30		CCEDRM
CC#CCS(=O)(=O)[N-]C(=O)c1cnn(C2CC2)c1	ZINC000860722124	613648060	/nfs/dbraw/zinc/64/80/60/613648060.db2.gz	RXRGOOAOXKKAQT-UHFFFAOYSA-N	-1	0	267.310	0.301	20	30		CCEDRM
CC(=NNCCC(=O)[O-])c1ccc2c(c1)NC(=O)CO2	ZINC000819726427	613654957	/nfs/dbraw/zinc/65/49/57/613654957.db2.gz	IVSDYTAUOMTRPF-UHFFFAOYSA-N	-1	0	277.280	0.806	20	30		CCEDRM
CC(=NN[C@H](C)CO)c1ccc(-c2nn[nH]n2)cc1F	ZINC000823953867	613656792	/nfs/dbraw/zinc/65/67/92/613656792.db2.gz	SXNNBBPQPUICCJ-SSDOTTSWSA-N	-1	0	278.291	0.700	20	30		CCEDRM
CC(=O)C1=C(C(=O)[O-])NC(=S)N[C@H]1c1scnc1C	ZINC000825813157	613664014	/nfs/dbraw/zinc/66/40/14/613664014.db2.gz	HBCANLUAXQWNSV-SSDOTTSWSA-N	-1	0	297.361	0.898	20	30		CCEDRM
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C=CCNC(=O)[C@@H](C)OC(=O)c1cncc(C(=O)[O-])c1	ZINC000833377434	613854178	/nfs/dbraw/zinc/85/41/78/613854178.db2.gz	WVHOWOGFCAPPJM-MRVPVSSYSA-N	-1	0	278.264	0.627	20	30		CCEDRM
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C=CCNS(=O)(=O)c1cc(F)cc(C(=O)[O-])c1	ZINC000833376557	613860011	/nfs/dbraw/zinc/86/00/11/613860011.db2.gz	GXTKIGWMKYQLQS-UHFFFAOYSA-N	-1	0	259.258	0.988	20	30		CCEDRM
C=CCOCCCC(=O)N1CC[C@@](O)(C(=O)[O-])C1	ZINC000910525449	613879667	/nfs/dbraw/zinc/87/96/67/613879667.db2.gz	KFJQXGFRGGFYQC-LBPRGKRZSA-N	-1	0	257.286	0.017	20	30		CCEDRM
C=CCOCCCC(=O)NOCCN1CCCC1=O	ZINC000856040755	613879805	/nfs/dbraw/zinc/87/98/05/613879805.db2.gz	PJBUSHYYUJECTN-UHFFFAOYSA-N	-1	0	270.329	0.639	20	30		CCEDRM
C=CCOCC[N-]S(=O)(=O)N=S(=O)(CC)CC	ZINC000867072167	613881136	/nfs/dbraw/zinc/88/11/36/613881136.db2.gz	WPTNIVNBKYCUFQ-UHFFFAOYSA-N	-1	0	284.403	0.531	20	30		CCEDRM
C=CCOC[C@H](NC(=O)N[C@@H]1COC(C)(C)C1)C(=O)[O-]	ZINC000909202592	613882411	/nfs/dbraw/zinc/88/24/11/613882411.db2.gz	QJUYSCIEKHZROS-UWVGGRQHSA-N	-1	0	286.328	0.509	20	30		CCEDRM
C=CCOC[C@H](NC(=O)N[C@H](C)[C@@H]1CCOC1)C(=O)[O-]	ZINC000797726431	613882436	/nfs/dbraw/zinc/88/24/36/613882436.db2.gz	FZNNVUDTTLUWLW-MXWKQRLJSA-N	-1	0	286.328	0.366	20	30		CCEDRM
C=CCOC[C@H](NC(=O)[C@]12C[C@H]1COC21CCC1)C(=O)[O-]	ZINC000907670052	613882640	/nfs/dbraw/zinc/88/26/40/613882640.db2.gz	VNFIBGBRVCAGEW-PGUXBMHVSA-N	-1	0	295.335	0.718	20	30		CCEDRM
C=CCOC[C@H](NC(=O)c1cn(C(C)C)cn1)C(=O)[O-]	ZINC000909772686	613882697	/nfs/dbraw/zinc/88/26/97/613882697.db2.gz	UXJHDZQDLQNFRE-NSHDSACASA-N	-1	0	281.312	0.850	20	30		CCEDRM
C=CCONC(=O)NCC1(C(=O)[O-])CCOCC1	ZINC000831042680	613883888	/nfs/dbraw/zinc/88/38/88/613883888.db2.gz	WPWAPZRPWSLPFA-UHFFFAOYSA-N	-1	0	258.274	0.285	20	30		CCEDRM
C=CCS(=O)(=O)[N-]C(=O)CCCN(C)C(=O)OCC	ZINC000892882936	613886138	/nfs/dbraw/zinc/88/61/38/613886138.db2.gz	QWFZNEQBLPFRHE-UHFFFAOYSA-N	-1	0	292.357	0.487	20	30		CCEDRM
C=CCS(=O)(=O)[N-]C(=O)[C@@H]1CCCN1C(=O)CCC	ZINC000132785791	613886206	/nfs/dbraw/zinc/88/62/06/613886206.db2.gz	JNALWUHBLJYPTB-JTQLQIEISA-N	-1	0	288.369	0.410	20	30		CCEDRM
CC(C)NC(=O)[C@@H](C#N)C(=O)[C@@H](C)CN(C)C(=O)[O-]	ZINC000824370009	613930473	/nfs/dbraw/zinc/93/04/73/613930473.db2.gz	YDHUASMAHFVIKZ-IUCAKERBSA-N	-1	0	269.301	0.466	20	30		CCEDRM
CC(C)NC(=O)C(C#N)=C([O-])c1cncc(-n2ccnn2)c1	ZINC000802041660	613934483	/nfs/dbraw/zinc/93/44/83/613934483.db2.gz	ATDLUUIIZXYXPL-GFCCVEGCSA-N	-1	0	298.306	0.509	20	30		CCEDRM
CC(C)(C)N1C[C@@H](NC(=O)[C@@](C)(C#N)CC(=O)[O-])CC1=O	ZINC000819821660	613944901	/nfs/dbraw/zinc/94/49/01/613944901.db2.gz	IZSSDMQJSZWBOB-LKFCYVNXSA-N	-1	0	295.339	0.507	20	30		CCEDRM
CC(C)(CNC(=O)NC1CCN(CC#N)CC1)C(=O)[O-]	ZINC000826576215	614098663	/nfs/dbraw/zinc/09/86/63/614098663.db2.gz	GODWQAPKGWCYQD-UHFFFAOYSA-N	-1	0	282.344	0.384	20	30		CCEDRM
CC(C)[C@H](CO)O[N-]C(=O)[C@@]1(C#N)CCCOC1	ZINC000868728647	614214372	/nfs/dbraw/zinc/21/43/72/614214372.db2.gz	ZYAKYZPTNVMKPT-CMPLNLGQSA-N	-1	0	256.302	0.371	20	30		CCEDRM
CC(C)(C#N)C(=O)NC[C@]1(C(=O)[O-])CCCOC1	ZINC000923102743	614284884	/nfs/dbraw/zinc/28/48/84/614284884.db2.gz	YYOGNZUHWTZKCE-GFCCVEGCSA-N	-1	0	254.286	0.534	20	30		CCEDRM
CC(C)C#CC(=O)N1CCSC[C@@H]1c1nnn[n-]1	ZINC000907479845	614326367	/nfs/dbraw/zinc/32/63/67/614326367.db2.gz	JBIIOXHQHCMIBH-SECBINFHSA-N	-1	0	265.342	0.476	20	30		CCEDRM
CC(C)(C)C(=O)Nc1ccncc1C=NNCC(=O)[O-]	ZINC000814956506	614338902	/nfs/dbraw/zinc/33/89/02/614338902.db2.gz	AZUZHIAKIVBFIS-UHFFFAOYSA-N	-1	0	278.312	0.496	20	30		CCEDRM
CC(C)C(=O)N1CCCC[C@@H]1C(=O)N[C@H]1CCN(O)C1=O	ZINC000816696291	614353734	/nfs/dbraw/zinc/35/37/34/614353734.db2.gz	WAVYVSVDPKONQZ-WDEREUQCSA-N	-1	0	297.355	0.130	20	30		CCEDRM
CC(C)n1cnc(S(=O)(=O)[N-]c2ccncc2C#N)c1	ZINC000863947786	614367694	/nfs/dbraw/zinc/36/76/94/614367694.db2.gz	BRERUCILOYRULN-UHFFFAOYSA-N	-1	0	291.336	0.953	20	30		CCEDRM
CC(CCc1ccc(OCC(=O)[O-])cc1)=NOCC(N)=O	ZINC000814892191	614378445	/nfs/dbraw/zinc/37/84/45/614378445.db2.gz	NPMUZKBGAIKJBR-UHFFFAOYSA-N	-1	0	294.307	0.960	20	30		CCEDRM
CCC(CC)(C(=O)[O-])C(=O)N1CCN(CCC#N)CC1	ZINC000902490423	614517786	/nfs/dbraw/zinc/51/77/86/614517786.db2.gz	UBCSGBQDHBNDBE-UHFFFAOYSA-N	-1	0	281.356	0.935	20	30		CCEDRM
CCCN(C)S(=O)(=O)[N-]C(=O)c1ncc(C#N)cc1C	ZINC000815979628	614524846	/nfs/dbraw/zinc/52/48/46/614524846.db2.gz	IQRMSJCXNJBYBD-UHFFFAOYSA-N	-1	0	296.352	0.578	20	30		CCEDRM
CC1(C)CCC[C@H](Cn2c(=O)[n-]cc(C#N)c2=O)O1	ZINC000882179622	614537014	/nfs/dbraw/zinc/53/70/14/614537014.db2.gz	WGXKVELAUVIVON-SNVBAGLBSA-N	-1	0	263.297	0.756	20	30		CCEDRM
CCCN(CC(=O)[O-])S(=O)(=O)CC(C)(C)C#N	ZINC000905986741	614560959	/nfs/dbraw/zinc/56/09/59/614560959.db2.gz	UGRHZLYWKRONOE-UHFFFAOYSA-N	-1	0	262.331	0.663	20	30		CCEDRM
CCCC(=O)N1CCCC[C@H]1C(=O)N[C@@H]1CCN(O)C1=O	ZINC000816691275	614744838	/nfs/dbraw/zinc/74/48/38/614744838.db2.gz	OICZPGLTPRWZRQ-MNOVXSKESA-N	-1	0	297.355	0.274	20	30		CCEDRM
CCCCCCNC(=O)C(C#N)=C([O-])c1ncn(C)n1	ZINC000810529149	614912427	/nfs/dbraw/zinc/91/24/27/614912427.db2.gz	ZYCJWAAHVNEYFW-SNVBAGLBSA-N	-1	0	277.328	0.834	20	30		CCEDRM
CCCCCCNC(=O)C(C#N)=C([O-])c1cnnn1C	ZINC000798815459	614912473	/nfs/dbraw/zinc/91/24/73/614912473.db2.gz	UTOVPWZBIPPOEQ-SNVBAGLBSA-N	-1	0	277.328	0.834	20	30		CCEDRM
CCN(CCO)N=Cc1ccc(OCC(=O)[O-])cc1	ZINC000842534523	615055255	/nfs/dbraw/zinc/05/52/55/615055255.db2.gz	QAZNPIZEHJKSJT-UHFFFAOYSA-N	-1	0	266.297	0.798	20	30		CCEDRM
CCN(C[C@@H](C)C#N)C(=O)CN1CCCC[C@@H]1C(=O)[O-]	ZINC000820332748	615061439	/nfs/dbraw/zinc/06/14/39/615061439.db2.gz	HTKKYKOJXCXHQO-NWDGAFQWSA-N	-1	0	281.356	0.934	20	30		CCEDRM
CCOC(=O)C(C)(C)O[N-]C(=O)[C@@]1(C#N)CCCOC1	ZINC000869221893	615151891	/nfs/dbraw/zinc/15/18/91/615151891.db2.gz	WGRXEJHFOSBXAI-CYBMUJFWSA-N	-1	0	284.312	0.696	20	30		CCEDRM
CCOC(=O)C1(CNC(=O)[C@@](C)(C#N)CC(=O)[O-])CCC1	ZINC000820364799	615157189	/nfs/dbraw/zinc/15/71/89/615157189.db2.gz	XJFQDWLCDAFEGN-CYBMUJFWSA-N	-1	0	296.323	0.841	20	30		CCEDRM
CCOC(=O)c1ccc(C=Nn2c(=O)[n-][nH]c2=O)o1	ZINC000814233145	615181364	/nfs/dbraw/zinc/18/13/64/615181364.db2.gz	COURJVWYFCCOON-UHFFFAOYSA-N	-1	0	266.213	0.341	20	30		CCEDRM
CCOCCCNC(=O)C(C#N)=C([O-])c1cn(C)nc1C	ZINC000113651612	615244381	/nfs/dbraw/zinc/24/43/81/615244381.db2.gz	KKRPGYRCKFZMGZ-NSHDSACASA-N	-1	0	292.339	0.594	20	30		CCEDRM
CCO[N-]C(=O)CNC(=O)Cc1cccc(C#N)c1	ZINC000846494328	615358210	/nfs/dbraw/zinc/35/82/10/615358210.db2.gz	PABNBZYMCOEVDL-UHFFFAOYSA-N	-1	0	261.281	0.285	20	30		CCEDRM
CCO[N-]C(=O)CNC(=O)c1c(C)cc(C#N)cc1C	ZINC000899213866	615370419	/nfs/dbraw/zinc/37/04/19/615370419.db2.gz	MQNWIISOCOACDU-UHFFFAOYSA-N	-1	0	275.308	0.973	20	30		CCEDRM
CCO[N-]C(=O)CNC(=O)c1cc(O)cc(C#N)c1	ZINC000846492486	615371003	/nfs/dbraw/zinc/37/10/03/615371003.db2.gz	BKZLJBNTAISSJS-UHFFFAOYSA-N	-1	0	263.253	0.061	20	30		CCEDRM
CCO[N-]C(=O)CNc1cc(N)c([N+](=O)[O-])c(C#N)c1	ZINC000845717238	615376490	/nfs/dbraw/zinc/37/64/90/615376490.db2.gz	JXDQKMAXMYJJIM-UHFFFAOYSA-N	-1	0	279.256	0.528	20	30		CCEDRM
CCO[C@H](CC(=O)[N-]S(=O)(=O)CCC#N)C(C)C	ZINC000835410123	615478216	/nfs/dbraw/zinc/47/82/16/615478216.db2.gz	CVSQLYWNASSWLO-SNVBAGLBSA-N	-1	0	276.358	0.797	20	30		CCEDRM
CC[C@H](C#N)NS(=O)(=O)c1cc(C(=O)[O-])oc1C	ZINC000833636197	615599950	/nfs/dbraw/zinc/59/99/50/615599950.db2.gz	LEOJWNLSOQQVKY-SSDOTTSWSA-N	-1	0	272.282	0.867	20	30		CCEDRM
CCc1cc(CNC(=O)[C@](C)(C#N)CC(=O)[O-])on1	ZINC000820474077	615650176	/nfs/dbraw/zinc/65/01/76/615650176.db2.gz	GDRIEFAOPHWOGG-LBPRGKRZSA-N	-1	0	265.269	0.858	20	30		CCEDRM
CCn1ncc(C([O-])=C(C#N)C(=O)NCCOC)c1C	ZINC000870139983	615694556	/nfs/dbraw/zinc/69/45/56/615694556.db2.gz	ZWUVPFKZTJPZSM-SNVBAGLBSA-N	-1	0	278.312	0.297	20	30		CCEDRM
CC[C@H](C[C@@H](C)CO)NC(=O)[C@@](C)(C#N)CC(=O)[O-]	ZINC000820272485	615745861	/nfs/dbraw/zinc/74/58/61/615745861.db2.gz	CQUCQEWHZPGCMB-GIPNMCIBSA-N	-1	0	270.329	0.904	20	30		CCEDRM
CCc1nccn1[C@@H](C)CC(=O)N[C@H]1CCN(O)C1=O	ZINC000820131485	615779263	/nfs/dbraw/zinc/77/92/63/615779263.db2.gz	ILPCANQSZOLZHS-UWVGGRQHSA-N	-1	0	280.328	0.503	20	30		CCEDRM
CCc1nn(C)c(OC)c1C=NNc1nnc(C)c(=O)[n-]1	ZINC000814734484	615794316	/nfs/dbraw/zinc/79/43/16/615794316.db2.gz	DJOZQDFXJOIDCO-UHFFFAOYSA-N	-1	0	291.315	0.636	20	30		CCEDRM
CN(C(=O)COC(=O)[C@](C)(C#N)CC(=O)[O-])C1CC1	ZINC000820517863	615817989	/nfs/dbraw/zinc/81/79/89/615817989.db2.gz	SWGDCAAVGBUPMB-LBPRGKRZSA-N	-1	0	268.269	0.155	20	30		CCEDRM
CN(C(=O)CSCC(=O)[O-])[C@@H]1CCC[C@H]1C#N	ZINC000902339802	615819493	/nfs/dbraw/zinc/81/94/93/615819493.db2.gz	XBFGTZWXDCJFLO-DTWKUNHWSA-N	-1	0	256.327	0.955	20	30		CCEDRM
CC[C@H](NN=Cc1cnn(CC(F)F)c1)C(=O)[O-]	ZINC000814229245	615819916	/nfs/dbraw/zinc/81/99/16/615819916.db2.gz	UXCRSENQBDQEIX-QMMMGPOBSA-N	-1	0	260.244	0.935	20	30		CCEDRM
CC[C@H](O)CCCNC(=O)[C@@](C)(C#N)CC(=O)[O-]	ZINC000820285090	615825017	/nfs/dbraw/zinc/82/50/17/615825017.db2.gz	PKBHJVIXYGUBJE-JOYOIKCWSA-N	-1	0	256.302	0.658	20	30		CCEDRM
CN(C)C(=S)NN=Cc1cc(C(=O)[O-])cn1C	ZINC000901185150	615838535	/nfs/dbraw/zinc/83/85/35/615838535.db2.gz	KDPBJUWCXPHNTP-UHFFFAOYSA-N	-1	0	254.315	0.493	20	30		CCEDRM
CN(C(=O)[C@@H]1CN(C(=O)[O-])CCO1)C1(C#N)CCC1	ZINC000827745329	615862813	/nfs/dbraw/zinc/86/28/13/615862813.db2.gz	JUSBHYJYKQSOSM-VIFPVBQESA-N	-1	0	267.285	0.270	20	30		CCEDRM
CC[C@H](SC)C(=O)Nc1nc(C#N)c(-c2nn[nH]n2)[n-]1	ZINC000825159789	615867550	/nfs/dbraw/zinc/86/75/50/615867550.db2.gz	UFSZYAWEODXITM-LURJTMIESA-N	-1	0	292.328	0.542	20	30		CCEDRM
CN(C(=O)[C@H]1CN(C(=O)[O-])CCO1)c1cccc(C#N)c1	ZINC000827747618	615886842	/nfs/dbraw/zinc/88/68/42/615886842.db2.gz	ZSBLKISDXFUPOB-GFCCVEGCSA-N	-1	0	289.291	0.900	20	30		CCEDRM
CN(C(=O)c1cc(C(=O)[O-])nn1C)[C@@H]1CCC[C@@H]1C#N	ZINC000864056941	615894245	/nfs/dbraw/zinc/89/42/45/615894245.db2.gz	FTEHBPCHYKBCSW-PSASIEDQSA-N	-1	0	276.296	0.883	20	30		CCEDRM
CCn1cc(/C=C/C(=O)c2cnc([O-])n(C)c2=O)c(C)n1	ZINC000899364097	615930006	/nfs/dbraw/zinc/93/00/06/615930006.db2.gz	XFPOHHSFDZDXIK-AATRIKPKSA-N	-1	0	288.307	0.907	20	30		CCEDRM
CN(CC(=O)OC(C)(C)C)C(=O)[C@@](C)(C#N)CC(=O)[O-]	ZINC000820574220	616050098	/nfs/dbraw/zinc/05/00/98/616050098.db2.gz	IGABSRWHEDTCKG-CYBMUJFWSA-N	-1	0	284.312	0.791	20	30		CCEDRM
CN(CCCNC(=O)[O-])C(=O)Nc1nn(C)cc1C#N	ZINC000828298665	616075141	/nfs/dbraw/zinc/07/51/41/616075141.db2.gz	UMZBLVJCEFNUAF-UHFFFAOYSA-N	-1	0	280.288	0.413	20	30		CCEDRM
CN(C[C@@H]1CCCN1S(=O)(=O)CCCC#N)C(=O)[O-]	ZINC000828230649	616137768	/nfs/dbraw/zinc/13/77/68/616137768.db2.gz	RURFGBHVSOFCBQ-JTQLQIEISA-N	-1	0	289.357	0.694	20	30		CCEDRM
CN(Cc1ccccc1)C(=O)C(C#N)=C([O-])c1cnnn1C	ZINC000798859304	616169875	/nfs/dbraw/zinc/16/98/75/616169875.db2.gz	GJJFLZHAZJOUDJ-LBPRGKRZSA-N	-1	0	297.318	0.796	20	30		CCEDRM
COC1(C(=O)[N-]S(=O)(=O)c2cccc(C#N)c2)CC1	ZINC000842676814	616425362	/nfs/dbraw/zinc/42/53/62/616425362.db2.gz	MUNDJJJVDSTGJS-UHFFFAOYSA-N	-1	0	280.305	0.542	20	30		CCEDRM
COCCNC(=O)[C@H](C#N)C(=O)CC1(NC(=O)[O-])CCC1	ZINC000828992472	616495369	/nfs/dbraw/zinc/49/53/69/616495369.db2.gz	PIKLINSLSBAWPD-SECBINFHSA-N	-1	0	297.311	0.038	20	30		CCEDRM
COCCNC(=O)C(C#N)=C([O-])c1nc(C)oc1C	ZINC000815906963	616496598	/nfs/dbraw/zinc/49/65/98/616496598.db2.gz	OETJWHITJFWANX-SECBINFHSA-N	-1	0	265.269	0.377	20	30		CCEDRM
COC(=O)[C@H](C)n1cccc1C=NNCCC(=O)[O-]	ZINC000820653330	616588097	/nfs/dbraw/zinc/58/80/97/616588097.db2.gz	FEOSSPGSCKZWDM-VIFPVBQESA-N	-1	0	267.285	0.620	20	30		CCEDRM
COCCS(=O)(=O)[N-]C(=O)c1ccc(C#N)cc1C	ZINC000129823768	616610174	/nfs/dbraw/zinc/61/01/74/616610174.db2.gz	LXBZEFOMUGYCAF-UHFFFAOYSA-N	-1	0	282.321	0.573	20	30		CCEDRM
COCC[C@@H](NC(=O)NCC#Cc1ccccc1)C(=O)[O-]	ZINC000908769382	616640294	/nfs/dbraw/zinc/64/02/94/616640294.db2.gz	XHBPRYCUQSDXSC-CYBMUJFWSA-N	-1	0	290.319	0.827	20	30		CCEDRM
COCCn1c(=O)cc([O-])nc1SCCO[C@@H](C)C#N	ZINC000802726267	616714060	/nfs/dbraw/zinc/71/40/60/616714060.db2.gz	HDULMHLZVZWLAF-VIFPVBQESA-N	-1	0	299.352	0.616	20	30		CCEDRM
COCC1(C(=O)[N-]S(=O)(=O)CCC#N)CCCC1	ZINC000838892863	616749714	/nfs/dbraw/zinc/74/97/14/616749714.db2.gz	UDKITRGDXRPSOD-UHFFFAOYSA-N	-1	0	274.342	0.553	20	30		CCEDRM
CNC(=O)C(C#N)=C([O-])c1ccc([N+](=O)[O-])c(OC)c1	ZINC000102121502	616776867	/nfs/dbraw/zinc/77/68/67/616776867.db2.gz	CPUFZYPPJCWKKY-QMMMGPOBSA-N	-1	0	277.236	0.672	20	30		CCEDRM
CNC(=O)C(C#N)=C([O-])c1ccn(-c2cccc(C#N)c2)n1	ZINC000798816698	616777687	/nfs/dbraw/zinc/77/76/87/616777687.db2.gz	PFERKCQVFCDCIV-LBPRGKRZSA-N	-1	0	293.286	0.812	20	30		CCEDRM
COCC1(S(=O)(=O)[N-][C@@H](CC#N)C(F)(F)F)CC1	ZINC000901771569	616803182	/nfs/dbraw/zinc/80/31/82/616803182.db2.gz	KVRACKRIOBPFEO-ZETCQYMHSA-N	-1	0	286.275	0.929	20	30		CCEDRM
COC(=O)c1cn[n-]c1S(=O)(=O)OCC(F)(F)F	ZINC000881733502	616814660	/nfs/dbraw/zinc/81/46/60/616814660.db2.gz	WGTWLFAAKCQVCY-UHFFFAOYSA-N	-1	0	288.203	0.464	20	30		CCEDRM
COC(=O)N1CCC[C@@H](NC(=O)[C@@](C)(C#N)CC(=O)[O-])C1	ZINC000820672928	616830460	/nfs/dbraw/zinc/83/04/60/616830460.db2.gz	IFTODTMVRGFDKH-NOZJJQNGSA-N	-1	0	297.311	0.338	20	30		CCEDRM
COC[C@@H](C)S(=O)(=O)[N-]C(=O)CCCCCC#N	ZINC000805881692	616838197	/nfs/dbraw/zinc/83/81/97/616838197.db2.gz	FUEPWPBNTIQJAA-SNVBAGLBSA-N	-1	0	276.358	0.941	20	30		CCEDRM
CNC(=O)C(C#N)=C([O-])c1ccc2c(c1)CCN2C(C)=O	ZINC000917001990	616839282	/nfs/dbraw/zinc/83/92/82/616839282.db2.gz	DTGIJTMCMMFJJI-GFCCVEGCSA-N	-1	0	285.303	0.664	20	30		CCEDRM
COC(=O)c1ccc(C(C)=NNCC(=O)[O-])cc1	ZINC000814959099	616889409	/nfs/dbraw/zinc/88/94/09/616889409.db2.gz	MKWPXUMSAIUWIY-UHFFFAOYSA-N	-1	0	250.254	0.871	20	30		CCEDRM
COCCCNC(=O)C(C#N)=C([O-])c1ccnn1C(C)C	ZINC000131938395	616898740	/nfs/dbraw/zinc/89/87/40/616898740.db2.gz	DEWUKINIBYIMAE-NSHDSACASA-N	-1	0	292.339	0.939	20	30		CCEDRM
CO[C@@]1(C(=O)[O-])CCN(C(=O)C2(C#N)CCC2)C1	ZINC000923098693	616921966	/nfs/dbraw/zinc/92/19/66/616921966.db2.gz	NOZLPLWULBZTKE-LBPRGKRZSA-N	-1	0	252.270	0.382	20	30		CCEDRM
COCCN(C)c1ccc(C=NNCC(=O)[O-])cn1	ZINC000814960573	616972700	/nfs/dbraw/zinc/97/27/00/616972700.db2.gz	PMXUOILBAFMAAV-UHFFFAOYSA-N	-1	0	266.301	0.172	20	30		CCEDRM
COCCN(CCC#N)C(=O)[C@@]1(F)CCN(C(=O)[O-])C1	ZINC000828980212	616992219	/nfs/dbraw/zinc/99/22/19/616992219.db2.gz	XPXXOXXHUFOCRM-GFCCVEGCSA-N	-1	0	287.291	0.467	20	30		CCEDRM
COC[C@@](C)(NS(=O)(=O)CCCCC#N)C(=O)[O-]	ZINC000831627560	617024454	/nfs/dbraw/zinc/02/44/54/617024454.db2.gz	AEWFQQLODGCXQV-SNVBAGLBSA-N	-1	0	278.330	0.089	20	30		CCEDRM
COC[C@@](C)(O)C(=O)O[C@H](C(=O)[O-])c1cccc(C#N)c1	ZINC000831638537	617027913	/nfs/dbraw/zinc/02/79/13/617027913.db2.gz	YYUCJOQWMFBMKR-SMDDNHRTSA-N	-1	0	293.275	0.625	20	30		CCEDRM
COC[C@H](C#N)OC(=O)C1CCN(C(=O)[O-])CC1	ZINC000833883215	617046706	/nfs/dbraw/zinc/04/67/06/617046706.db2.gz	WJWQHDABZMXYOC-VIFPVBQESA-N	-1	0	256.258	0.458	20	30		CCEDRM
CO[C@H](CNC(=O)[C@](C)(C#N)CC(=O)[O-])C(C)C	ZINC000820697105	617088265	/nfs/dbraw/zinc/08/82/65/617088265.db2.gz	RNAXUSHTUCPRSN-SKDRFNHKSA-N	-1	0	256.302	0.778	20	30		CCEDRM
CO[C@H]1CCCN(C(=O)[C@](C)(C#N)CC(=O)[O-])C1	ZINC000820702930	617095452	/nfs/dbraw/zinc/09/54/52/617095452.db2.gz	JWYRBJBIRAVVCQ-CABZTGNLSA-N	-1	0	254.286	0.628	20	30		CCEDRM
COc1cc(C(=O)N2CCO[C@@H](C(=O)[O-])C2)ccc1C#N	ZINC000851693226	617156300	/nfs/dbraw/zinc/15/63/00/617156300.db2.gz	FFKIBPMZVPBPPL-GFCCVEGCSA-N	-1	0	290.275	0.492	20	30		CCEDRM
COc1cc(C(=O)[N-]S(=O)(=O)CCC#N)ccc1C	ZINC000821584034	617162983	/nfs/dbraw/zinc/16/29/83/617162983.db2.gz	OYOBWTBTPNZDRK-UHFFFAOYSA-N	-1	0	282.321	0.977	20	30		CCEDRM
C#CCCCCNC(=O)N1CCOC[C@H]1C(=O)[O-]	ZINC000227461485	622967556	/nfs/dbraw/zinc/96/75/56/622967556.db2.gz	WXIFJWUTLLXJBF-JTQLQIEISA-N	-1	0	254.286	0.285	20	30		CCEDRM
N#Cc1sc(N2CCOC[C@@H]2C(=O)[O-])nc1Cl	ZINC000310572045	623352680	/nfs/dbraw/zinc/35/26/80/623352680.db2.gz	ZLKVPHALMHFZRZ-RXMQYKEDSA-N	-1	0	273.701	0.958	20	30		CCEDRM
C=CCC(CC=C)C(=O)[N-]S(=O)(=O)c1cnn(C)c1	ZINC000177190659	623365167	/nfs/dbraw/zinc/36/51/67/623365167.db2.gz	ABTMGROLWWTLEO-UHFFFAOYSA-N	-1	0	283.353	0.993	20	30		CCEDRM
C#C[C@H](CCC)NS(=O)(=O)c1c[nH]c(C(=O)[O-])c1	ZINC000229873563	623571838	/nfs/dbraw/zinc/57/18/38/623571838.db2.gz	NNEMEGSGAMWLEL-MRVPVSSYSA-N	-1	0	270.310	0.793	20	30		CCEDRM
CC(C)S(=O)(=O)[N-]C(=O)c1cccc(C(N)=O)c1	ZINC000049417373	624460566	/nfs/dbraw/zinc/46/05/66/624460566.db2.gz	AIMRAAPVBLEPKA-UHFFFAOYSA-N	-1	0	270.310	0.828	20	30		CCEDRM
CCC(CC)S(=O)(=O)[N-]C(=O)[C@@H](C)NC(C)=O	ZINC000073837778	624812229	/nfs/dbraw/zinc/81/22/29/624812229.db2.gz	MBPBZISCLCQAPL-SSDOTTSWSA-N	-1	0	264.347	0.986	20	30		CCEDRM
CCO[C@@H]1C[C@H]1C(=O)C(C#N)=C([O-])c1nccn1C	ZINC000178476575	625017935	/nfs/dbraw/zinc/01/79/35/625017935.db2.gz	DSTBENVJVFRYEM-OPRDCNLKSA-N	-1	0	261.281	0.737	20	30		CCEDRM
N#CCCCC(=O)[N-]S(=O)(=O)CC[C@@H]1CCCO1	ZINC000893709483	631410042	/nfs/dbraw/zinc/41/00/42/631410042.db2.gz	OMJYHCYURMLKRJ-JTQLQIEISA-N	-1	0	274.342	0.695	20	30		CCEDRM
Cn1cc(C=CC(=O)[N-]S(=O)(=O)N2CCCC2)cn1	ZINC000048869606	631849499	/nfs/dbraw/zinc/84/94/99/631849499.db2.gz	SBFLYILWVYELKB-SNAWJCMRSA-N	-1	0	284.341	0.730	20	30		CCEDRM
C=C(Br)CNC(=O)N1CCOC[C@@H]1C(=O)[O-]	ZINC000163554437	633597439	/nfs/dbraw/zinc/59/74/39/633597439.db2.gz	VYIJLTWNRSMXHK-SSDOTTSWSA-N	-1	0	293.117	0.390	20	30		CCEDRM
CS(=O)(=O)[N-]C(=O)COc1ccccc1C#N	ZINC000042280554	633898298	/nfs/dbraw/zinc/89/82/98/633898298.db2.gz	WAIXZJNQOFLQDN-UHFFFAOYSA-N	-1	0	254.267	0.853	20	30		CCEDRM
C[C@H](CO)NN=Cc1ncc(Br)cc1O	ZINC000901194644	634205383	/nfs/dbraw/zinc/20/53/83/634205383.db2.gz	NGTLWGNKGUXBDS-ZCFIWIBFSA-N	-1	0	274.118	0.854	20	30		CCEDRM
N#CC[C@H]([N-]S(=O)(=O)C[C@H]1CCCO1)C(F)(F)F	ZINC000901771964	634275525	/nfs/dbraw/zinc/27/55/25/634275525.db2.gz	IPZMEHHYMMCEDJ-SFYZADRCSA-N	-1	0	286.275	0.929	20	30		CCEDRM
CC1(C)C[C@]1(C#N)[N-]S(=O)(=O)N=S1(=O)CCCC1	ZINC000906065742	634955061	/nfs/dbraw/zinc/95/50/61/634955061.db2.gz	FDAPHMPZSXIWGK-SNVBAGLBSA-N	-1	0	291.398	0.775	20	30		CCEDRM
O=C([O-])[C@]1(C(=O)NCC#CCO)C[C@@H]1c1ccccc1	ZINC000907827317	635216032	/nfs/dbraw/zinc/21/60/32/635216032.db2.gz	ZDGBSQMUDFIOOR-IUODEOHRSA-N	-1	0	273.288	0.357	20	30		CCEDRM
C#C[C@@H](NC(=O)c1ccoc1CC(=O)[O-])[C@@H]1CCCO1	ZINC000911578531	636297414	/nfs/dbraw/zinc/29/74/14/636297414.db2.gz	KKMDAURVGZTIEQ-MNOVXSKESA-N	-1	0	277.276	0.817	20	30		CCEDRM
O=C([O-])c1ccc(N=NC2CCS(=O)(=O)C2)cc1	ZINC000912773368	636673052	/nfs/dbraw/zinc/67/30/52/636673052.db2.gz	MZWJNZJUXLRDLM-UHFFFAOYSA-N	-1	0	268.294	0.971	20	30		CCEDRM
CC(C)C(=O)[N-]S(=O)(=O)c1cccc(-n2cnnn2)c1	ZINC000046930477	637018622	/nfs/dbraw/zinc/01/86/22/637018622.db2.gz	NWOBKDVGQSRBBX-UHFFFAOYSA-N	-1	0	295.324	0.964	20	30		CCEDRM
C=CCN(CC(=O)[O-])C(=O)NCCc1nc(C)no1	ZINC000231909003	637234530	/nfs/dbraw/zinc/23/45/30/637234530.db2.gz	LTLQOUCBNQKFIK-UHFFFAOYSA-N	-1	0	268.273	0.203	20	30		CCEDRM
CNC(=O)C(C#N)=C([O-])c1ccc(-n2cncn2)c(C)c1	ZINC000173990897	637238403	/nfs/dbraw/zinc/23/84/03/637238403.db2.gz	XHJDFMVNYOHLDM-LLVKDONJSA-N	-1	0	283.291	0.644	20	30		CCEDRM
N#Cc1sccc1S(=O)(=O)[N-]N1CCCC1=O	ZINC000867592993	637691680	/nfs/dbraw/zinc/69/16/80/637691680.db2.gz	NLOXIXZMNKHQJE-UHFFFAOYSA-N	-1	0	271.323	0.435	20	30		CCEDRM
CC#CCS(=O)(=O)[N-]C(=O)c1oc(C)nc1C	ZINC000788071469	638843231	/nfs/dbraw/zinc/84/32/31/638843231.db2.gz	PKADJTJMZSAEJG-UHFFFAOYSA-N	-1	0	256.283	0.374	20	30		CCEDRM
C[C@H](CN(C)C(=O)[C@]1(C#N)CCCOC1)C(=O)[O-]	ZINC000923063234	640012891	/nfs/dbraw/zinc/01/28/91/640012891.db2.gz	WVEWIEWXCIVYKJ-SKDRFNHKSA-N	-1	0	254.286	0.486	20	30		CCEDRM
C[C@@H]1CN(C(=O)[C@@]2(C#N)CCCOC2)C[C@@H](C(=O)[O-])O1	ZINC000923098354	640020587	/nfs/dbraw/zinc/02/05/87/640020587.db2.gz	KLTZFCHUAADPKK-GBIKHYSHSA-N	-1	0	282.296	0.007	20	30		CCEDRM
N#CC(C(=O)N1CCCC1)=C([O-])c1cccc(C#N)n1	ZINC000810528089	640418510	/nfs/dbraw/zinc/41/85/10/640418510.db2.gz	QERCKWATZBELJS-NSHDSACASA-N	-1	0	268.276	0.898	20	30		CCEDRM
CC#CCS(=O)(=O)[N-]C(=O)c1cccc([N+](=O)[O-])c1C	ZINC000791111804	640445679	/nfs/dbraw/zinc/44/56/79/640445679.db2.gz	ZYCPVKFKDANTGH-UHFFFAOYSA-N	-1	0	296.304	0.986	20	30		CCEDRM
NC(=O)CNN=Cc1cn(CC(=O)[O-])c2ccccc12	ZINC000799885942	640598633	/nfs/dbraw/zinc/59/86/33/640598633.db2.gz	QIRGKJFXELZMFJ-UHFFFAOYSA-N	-1	0	274.280	0.135	20	30		CCEDRM
Cc1[nH]c(C=NNS(=O)(=O)C(C)C)cc1C(=O)[O-]	ZINC000800812204	640621025	/nfs/dbraw/zinc/62/10/25/640621025.db2.gz	ZATSZEGHHDVUSR-UHFFFAOYSA-N	-1	0	273.314	0.683	20	30		CCEDRM
Cc1[nH]c(C=NNC(=S)NC2CC2)cc1C(=O)[O-]	ZINC000800806456	640621701	/nfs/dbraw/zinc/62/17/01/640621701.db2.gz	GNEJSRPLBPSWNI-UHFFFAOYSA-N	-1	0	266.326	0.982	20	30		CCEDRM
CC#CCS(=O)(=O)[N-]C(=O)c1cccc(OC)n1	ZINC000810772350	640948615	/nfs/dbraw/zinc/94/86/15/640948615.db2.gz	YYKJLDPGAZXPCR-UHFFFAOYSA-N	-1	0	268.294	0.173	20	30		CCEDRM
N#Cc1cccc(C(=O)[N-]N2C(=O)c3ccccc3C2=O)n1	ZINC000812824583	641013692	/nfs/dbraw/zinc/01/36/92/641013692.db2.gz	WQTXXOIZQHSHIF-UHFFFAOYSA-N	-1	0	292.254	0.894	20	30		CCEDRM
O=c1[n-][nH]c(=O)n1N=Cc1c(Cl)nc2sccn12	ZINC000814231482	641061461	/nfs/dbraw/zinc/06/14/61/641061461.db2.gz	YLPFIFIZBMIBPC-UHFFFAOYSA-N	-1	0	284.688	0.934	20	30		CCEDRM
C[C@H]1C(N=Nc2ccc(C(N)=O)nn2)CC[C@H]1CC(=O)[O-]	ZINC000814870107	641079511	/nfs/dbraw/zinc/07/95/11/641079511.db2.gz	NKDGSEOQEZCOCU-SFYZADRCSA-N	-1	0	291.311	0.864	20	30		CCEDRM
Cn1nncc1NN=Cc1ccc([O-])c([N+](=O)[O-])c1	ZINC000814981877	641086900	/nfs/dbraw/zinc/08/69/00/641086900.db2.gz	KVBHOOLVJMXLCI-UHFFFAOYSA-N	-1	0	262.229	0.875	20	30		CCEDRM
Cc1ncc(S(=O)(=O)[N-]C(=O)CC2(C#N)CC2)s1	ZINC000816046281	641138393	/nfs/dbraw/zinc/13/83/93/641138393.db2.gz	STNUIMSCDXRGJF-UHFFFAOYSA-N	-1	0	285.350	0.950	20	30		CCEDRM
O=C(N[C@@H]1CCN(O)C1=O)c1ccc([N+](=O)[O-])cc1[O-]	ZINC000816692250	641192370	/nfs/dbraw/zinc/19/23/70/641192370.db2.gz	JURQZRPCPHDZDA-MRVPVSSYSA-N	-1	0	281.224	0.020	20	30		CCEDRM
C#CCOc1ccc(C(=O)Nn2c(=O)[n-][nH]c2=O)cc1	ZINC000816732544	641205191	/nfs/dbraw/zinc/20/51/91/641205191.db2.gz	MCADKVMBQFJJAL-UHFFFAOYSA-N	-1	0	274.236	0.085	20	30		CCEDRM
N#Cc1cccc(O[N-]C(=O)[C@@H]2CSCC(=O)N2)c1	ZINC000828148530	642067581	/nfs/dbraw/zinc/06/75/81/642067581.db2.gz	QRZJDAGSDJMEBB-JTQLQIEISA-N	-1	0	277.305	0.200	20	30		CCEDRM
C[C@@H](NS(=O)(=O)Cc1ccc(C#N)cc1F)C(=O)[O-]	ZINC000841777436	642835827	/nfs/dbraw/zinc/83/58/27/642835827.db2.gz	YOVQJTRZUPXYDE-SSDOTTSWSA-N	-1	0	286.284	0.590	20	30		CCEDRM
N#CC1(CS(=O)(=O)[N-]C(=O)[C@@H]2CCC(=O)C2)CCCC1	ZINC000842756346	642945811	/nfs/dbraw/zinc/94/58/11/642945811.db2.gz	FBMNABMBGAOBDD-SNVBAGLBSA-N	-1	0	298.364	0.886	20	30		CCEDRM
C[C@H](CC(=O)[N-]S(=O)(=O)CCCC#N)n1ccnc1	ZINC000845502817	643323538	/nfs/dbraw/zinc/32/35/38/643323538.db2.gz	OVIXESXMKFYDHD-SNVBAGLBSA-N	-1	0	284.341	0.584	20	30		CCEDRM
N#CCCCCC(=O)[N-]S(=O)(=O)c1cccnc1	ZINC000847619118	643538266	/nfs/dbraw/zinc/53/82/66/643538266.db2.gz	YHIHYDSLEPZNCC-UHFFFAOYSA-N	-1	0	267.310	0.970	20	30		CCEDRM
Cc1onc(N)c1S(=O)(=O)[N-]C(=O)CCCCC#N	ZINC000847703603	643548699	/nfs/dbraw/zinc/54/86/99/643548699.db2.gz	JXBMNUDEYLLFKQ-UHFFFAOYSA-N	-1	0	286.313	0.454	20	30		CCEDRM
N#Cc1ccc2c(c1)CN(C(=O)COCC(=O)[O-])C2	ZINC000848454529	643641977	/nfs/dbraw/zinc/64/19/77/643641977.db2.gz	PVOYAVSXKWPLEB-UHFFFAOYSA-N	-1	0	260.249	0.502	20	30		CCEDRM
C[C@H](CC(=O)[N-]S(=O)(=O)CCCC#N)[C@@H]1CCCO1	ZINC000850926744	643822581	/nfs/dbraw/zinc/82/25/81/643822581.db2.gz	QWNQPMKSNPKWCI-MNOVXSKESA-N	-1	0	288.369	0.941	20	30		CCEDRM
N#CCCCCC(=O)[N-]S(=O)(=O)CC(F)F	ZINC000851364297	643844177	/nfs/dbraw/zinc/84/41/77/643844177.db2.gz	WKSUKWACYNNIIY-UHFFFAOYSA-N	-1	0	254.258	0.781	20	30		CCEDRM
N#CC(C(=O)N1CCCC1)=C([O-])c1ccc2nncn2c1	ZINC000113651692	644361997	/nfs/dbraw/zinc/36/19/97/644361997.db2.gz	YELJAOHBCZWGEZ-NSHDSACASA-N	-1	0	283.291	0.674	20	30		CCEDRM
Cc1ccccc1COCC(=O)[N-]S(=O)(=O)CCC#N	ZINC000857026782	644457277	/nfs/dbraw/zinc/45/72/77/644457277.db2.gz	KGHYGQJPJMMJEA-UHFFFAOYSA-N	-1	0	296.348	0.871	20	30		CCEDRM
N#Cc1cccc(O[N-]C(=O)C2(CO)CCOCC2)c1	ZINC000870691087	646017476	/nfs/dbraw/zinc/01/74/76/646017476.db2.gz	ZJKDDMPXKVGGLJ-UHFFFAOYSA-N	-1	0	276.292	0.757	20	30		CCEDRM
N#Cc1cccc(O[N-]C(=O)[C@H]2CCCN2C=O)c1	ZINC000870690702	646017644	/nfs/dbraw/zinc/01/76/44/646017644.db2.gz	TULBBUUYNJYRFP-GFCCVEGCSA-N	-1	0	259.265	0.589	20	30		CCEDRM
N#Cc1cccc(O[N-]C(=O)[C@@H]2CCCNC2=O)c1	ZINC000870689925	646018048	/nfs/dbraw/zinc/01/80/48/646018048.db2.gz	DQIHTFCFHVCUFV-LLVKDONJSA-N	-1	0	259.265	0.494	20	30		CCEDRM
Cc1cccc(C#N)c1S(=O)(=O)N(C)[C@H](C)C(=O)[O-]	ZINC000871636572	646160844	/nfs/dbraw/zinc/16/08/44/646160844.db2.gz	MRXNFNHFIIQBRU-SECBINFHSA-N	-1	0	282.321	0.960	20	30		CCEDRM
C[C@H](CCNS(=O)(=O)c1ccc(C#N)cc1)C(=O)[O-]	ZINC000129254069	647340893	/nfs/dbraw/zinc/34/08/93/647340893.db2.gz	HJBWZFXDWABTKM-SECBINFHSA-N	-1	0	282.321	0.947	20	30		CCEDRM
N#Cc1c[n-]c(=O)n(C[C@H]2CCC3(CCC3)O2)c1=O	ZINC000882179344	647380017	/nfs/dbraw/zinc/38/00/17/647380017.db2.gz	QCZPNKXGXBTLMH-SNVBAGLBSA-N	-1	0	261.281	0.510	20	30		CCEDRM
CC[C@H](CNS(=O)(=O)c1cccc(C#N)c1)C(=O)[O-]	ZINC000087499637	649630144	/nfs/dbraw/zinc/63/01/44/649630144.db2.gz	MIULJTBIVURRQZ-SNVBAGLBSA-N	-1	0	282.321	0.947	20	30		CCEDRM
C=CCN(CC(=O)[O-])C(=O)Cc1c(C)nn(C)c1C	ZINC000092462815	649723815	/nfs/dbraw/zinc/72/38/15/649723815.db2.gz	DZZRCVSLLQIWBF-UHFFFAOYSA-N	-1	0	265.313	0.679	20	30		CCEDRM
C=C[C@@H](NCC1(C(=O)[O-])CCOCC1)C(=O)OC	ZINC001588452291	958419942	/nfs/dbraw/zinc/41/99/42/958419942.db2.gz	MQZVOKUQGKRFPR-SECBINFHSA-N	-1	0	257.286	0.185	20	30		CCEDRM
C=CCC[C@@H](NC(=O)CCC(=O)[O-])C(=O)OCC	ZINC001588457377	958449860	/nfs/dbraw/zinc/44/98/60/958449860.db2.gz	XDNWGSHKTGFRKM-SECBINFHSA-N	-1	0	257.286	0.865	20	30		CCEDRM
CC[C@H](C#CC(=O)OC)Oc1ncc(C(=O)OC)[n-]1	ZINC001230281653	805592580	/nfs/dbraw/zinc/59/25/80/805592580.db2.gz	CMXYQSLHUUSJCO-MRVPVSSYSA-N	-1	0	266.253	0.530	20	30		CCEDRM
C=CCC1(C(=O)[O-])CN(S(=O)(=O)c2ccnn2C)C1	ZINC000722904749	791021514	/nfs/dbraw/zinc/02/15/14/791021514.db2.gz	JRZTZXYUNSQYRL-UHFFFAOYSA-N	-1	0	285.325	0.072	20	30		CCEDRM
COC(=O)[C@@H]1COCCN1Cc1cc(C#N)ccc1[O-]	ZINC001232678611	805969411	/nfs/dbraw/zinc/96/94/11/805969411.db2.gz	JWERIGLYDMNVMT-LBPRGKRZSA-N	-1	0	276.292	0.638	20	30		CCEDRM
C[C@H]1C(=O)N(C)CCN1Cc1ccc(C#N)cc1O	ZINC001233386787	806052447	/nfs/dbraw/zinc/05/24/47/806052447.db2.gz	ISOXATNSPPHCQR-JTQLQIEISA-N	-1	0	259.309	0.926	20	30		CCEDRM
C=CCOC[C@@H](CS(=O)(=O)[O-])Oc1nc(C)c[nH]1	ZINC001234092431	806182157	/nfs/dbraw/zinc/18/21/57/806182157.db2.gz	AXNBWMOFWGWKQP-VIFPVBQESA-N	-1	0	276.314	0.556	20	30		CCEDRM
CC#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)[N-]OC	ZINC001120553171	798863089	/nfs/dbraw/zinc/86/30/89/798863089.db2.gz	WSNGLGSSSHTSFW-SECBINFHSA-N	-1	0	256.302	0.971	20	30		CCEDRM
Cn1c(=O)[n-]c(NCCC[C@H]2CCCCO2)c(C#N)c1=O	ZINC001120919389	798962226	/nfs/dbraw/zinc/96/22/26/798962226.db2.gz	VEIBPZFAHZQKOI-SNVBAGLBSA-N	-1	0	292.339	0.706	20	30		CCEDRM
N#CC(C(=O)NC1CCCC1)=C([O-])c1coc(C(N)=O)c1	ZINC001122414932	799227533	/nfs/dbraw/zinc/22/75/33/799227533.db2.gz	LYBLKGBHBFMIPX-JTQLQIEISA-N	-1	0	289.291	0.760	20	30		CCEDRM
Cn1ccnc1C([O-])=C(C#N)C(=O)[C@H]1CC1(F)F	ZINC001122812902	799298057	/nfs/dbraw/zinc/29/80/57/799298057.db2.gz	DYQSPNTZEFHNFC-RNFRBKRXSA-N	-1	0	253.208	0.967	20	30		CCEDRM
Cc1cc(C(=O)[N-]S(=O)(=O)CCC#N)cc([N+](=O)[O-])c1	ZINC000835412139	799926806	/nfs/dbraw/zinc/92/68/06/799926806.db2.gz	RXWDFTBLHCZFQG-UHFFFAOYSA-N	-1	0	297.292	0.877	20	30		CCEDRM
C=C[C@@H](O)C(=O)N[C@H](Cc1ccccc1)c1n[nH]c(=O)[n-]1	ZINC001151368135	800420102	/nfs/dbraw/zinc/42/01/02/800420102.db2.gz	CPJYAVBIHJFPFI-GHMZBOCLSA-N	-1	0	288.307	0.457	20	30		CCEDRM
N#Cc1nc[nH]c1NC(=O)c1c[n-]c2cccnc2c1=O	ZINC001153850812	800677411	/nfs/dbraw/zinc/67/74/11/800677411.db2.gz	IDPDRQVATWJJJN-UHFFFAOYSA-N	-1	0	280.247	0.770	20	30		CCEDRM
N#Cc1ccnc(N[C@H]2SC(=O)[N-]C2=O)c1F	ZINC001155844063	801064422	/nfs/dbraw/zinc/06/44/22/801064422.db2.gz	ULWSINCDOBUPRZ-QMMMGPOBSA-N	-1	0	252.230	0.813	20	30		CCEDRM
N#Cc1cnc(Cl)nc1NCC[N-]C(=O)C(F)(F)F	ZINC001156199047	801127298	/nfs/dbraw/zinc/12/72/98/801127298.db2.gz	BYPTUHHOZXACQP-UHFFFAOYSA-N	-1	0	293.636	0.514	20	30		CCEDRM
C#C[C@@H](CC)NC(=O)c1[nH]c(=O)[nH]c(=O)c1OC	ZINC001156824951	801242263	/nfs/dbraw/zinc/24/22/63/801242263.db2.gz	NUQSBQBNVVIDFO-LURJTMIESA-N	-1	0	251.242	0.038	20	30		CCEDRM
COC(=O)c1cc(C#N)cnc1[N-]c1nccnc1CN	ZINC001160249882	801924094	/nfs/dbraw/zinc/92/40/94/801924094.db2.gz	FZLNMWGVRFIFPL-UHFFFAOYSA-N	-1	0	284.279	0.732	20	30		CCEDRM
COc1nc(NCC(=O)CCC(=O)[O-])c(F)cc1C#N	ZINC001160874421	802038328	/nfs/dbraw/zinc/03/83/28/802038328.db2.gz	NQXFKNUIDFSTGB-UHFFFAOYSA-N	-1	0	281.243	0.947	20	30		CCEDRM
Cn1cc([N-]S(=O)(=O)c2ccccn2)c(C#N)n1	ZINC001259281826	808747623	/nfs/dbraw/zinc/74/76/23/808747623.db2.gz	JCKOFWPYWDYHEH-UHFFFAOYSA-N	-1	0	263.282	0.488	20	30		CCEDRM
Cc1nc(C#N)c(C#N)nc1N[C@@H]1SC(=O)[N-]C1=O	ZINC001163664484	802586038	/nfs/dbraw/zinc/58/60/38/802586038.db2.gz	FLGYDJALXVUWHI-SECBINFHSA-N	-1	0	274.265	0.249	20	30		CCEDRM
C=CCC[C@H](NC(=O)N[C@H]1CO[C@H](C)C1)C(=O)[O-]	ZINC000401939580	803808419	/nfs/dbraw/zinc/80/84/19/803808419.db2.gz	RFXYYGCEHJKICN-BBBLOLIVSA-N	-1	0	256.302	0.882	20	30		CCEDRM
C=CCOC[C@H](CS(=O)(=O)[O-])OCc1cncn1C	ZINC001222594306	804919902	/nfs/dbraw/zinc/91/99/02/804919902.db2.gz	DXPYXWWSAFOVFB-LLVKDONJSA-N	-1	0	290.341	0.396	20	30		CCEDRM
C=CCOC[C@H](CS(=O)(=O)[O-])OCCOCCOC	ZINC001224518079	805044714	/nfs/dbraw/zinc/04/47/14/805044714.db2.gz	HYIBETITPMXZMS-LLVKDONJSA-N	-1	0	298.357	0.125	20	30		CCEDRM
CCC1=C(OCCCS(=O)(=O)[O-])C(=O)[C@H](C)O1	ZINC001224894242	805089146	/nfs/dbraw/zinc/08/91/46/805089146.db2.gz	RECLKMWDEWNTCL-ZETCQYMHSA-N	-1	0	264.299	0.890	20	30		CCEDRM
Cc1ccc(C#N)c(OC(=O)[C@H](O)CCC(=O)[O-])n1	ZINC001225861298	805171394	/nfs/dbraw/zinc/17/13/94/805171394.db2.gz	XPYCBVCOYCPYFR-SECBINFHSA-N	-1	0	264.237	0.393	20	30		CCEDRM
N#CCN1CC[C@@H](Oc2[n-]c(=O)c(F)cc2C#N)C1	ZINC001226009037	805185665	/nfs/dbraw/zinc/18/56/65/805185665.db2.gz	QSAGKGIYMOTNBI-SECBINFHSA-N	-1	0	262.244	0.775	20	30		CCEDRM
N#Cc1ccc(OC(=O)[C@@H](O)CC(=O)[O-])c(F)c1F	ZINC001226017229	805187676	/nfs/dbraw/zinc/18/76/76/805187676.db2.gz	JXVHZYIFGAWBEW-LURJTMIESA-N	-1	0	271.175	0.577	20	30		CCEDRM
CC(=O)N1CCC[C@H](Oc2nccc(/C=N/O)n2)C1	ZINC001226253149	805211413	/nfs/dbraw/zinc/21/14/13/805211413.db2.gz	FIVHDVQLGNSGCB-NGPAHMQLSA-N	-1	0	264.285	0.674	20	30		CCEDRM
C=C(C)C(=O)OC[C@H](C)Oc1[n-]c(=O)ncc1[N+](=O)[O-]	ZINC001226332023	805220707	/nfs/dbraw/zinc/22/07/07/805220707.db2.gz	RAWCHWFHYSRNHY-ZETCQYMHSA-N	-1	0	283.240	0.977	20	30		CCEDRM
N#CCN1CC[C@H](Oc2ccc(O)cc2S(=O)(=O)[O-])C1	ZINC001226412684	805227667	/nfs/dbraw/zinc/22/76/67/805227667.db2.gz	KHOPPFUIPZCKMP-JTQLQIEISA-N	-1	0	298.320	0.616	20	30		CCEDRM
Cc1cc(C#N)cc(C)c1OC(=O)[C@H](O)CC(=O)[O-]	ZINC001226522196	805242425	/nfs/dbraw/zinc/24/24/25/805242425.db2.gz	SAUNEUDSCVSFMY-SNVBAGLBSA-N	-1	0	263.249	0.916	20	30		CCEDRM
C=C[C@@H](Oc1[n-]c(=O)nc2cccnc21)C(=O)OC	ZINC001228005723	805407436	/nfs/dbraw/zinc/40/74/36/805407436.db2.gz	UFILITHQVKFTTE-MRVPVSSYSA-N	-1	0	261.237	0.837	20	30		CCEDRM
N#Cc1ccc2cccc(OC(=O)[C@@H](O)CC(=O)[O-])c2n1	ZINC001228409242	805444217	/nfs/dbraw/zinc/44/42/17/805444217.db2.gz	RFJGACLZRDZMHN-JTQLQIEISA-N	-1	0	286.243	0.847	20	30		CCEDRM
Cc1cc(OC(=O)[C@H](O)CCC(=O)[O-])ccc1C#N	ZINC001229213077	805511503	/nfs/dbraw/zinc/51/15/03/805511503.db2.gz	JSUUJKHQMQUCLS-LLVKDONJSA-N	-1	0	263.249	0.998	20	30		CCEDRM
C=C[C@H](Oc1nc(C)[n-]c(=O)c1[N+](=O)[O-])C(=O)OC	ZINC001229380877	805527160	/nfs/dbraw/zinc/52/71/60/805527160.db2.gz	MNLYUHANNYIVDS-LURJTMIESA-N	-1	0	269.213	0.505	20	30		CCEDRM
C=CCCNC(=S)NCCCC[P@](=O)([O-])O	ZINC001247675233	807476795	/nfs/dbraw/zinc/47/67/95/807476795.db2.gz	GJHBWOSRNFZZNL-UHFFFAOYSA-N	-1	0	266.303	0.985	20	30		CCEDRM
CCCCCCCNC(=S)N=c1nn[n-]n1C	ZINC001249625849	807563793	/nfs/dbraw/zinc/56/37/93/807563793.db2.gz	XJTCXOYXEWUGEA-UHFFFAOYSA-N	-1	0	256.379	0.889	20	30		CCEDRM
C#CCCN1CCC[C@@H]([N-]S(=O)(=O)C(F)(F)F)C1=O	ZINC001252391886	807818746	/nfs/dbraw/zinc/81/87/46/807818746.db2.gz	ZEVKHHKEVIPAIH-MRVPVSSYSA-N	-1	0	298.286	0.440	20	30		CCEDRM
N#Cc1ccc(-c2cn(CCOCC(=O)[O-])nn2)cn1	ZINC001254089286	808178799	/nfs/dbraw/zinc/17/87/99/808178799.db2.gz	DEWSIOWEKCCJHG-UHFFFAOYSA-N	-1	0	273.252	0.313	20	30		CCEDRM
Cn1cnc([N-]S(=O)(=O)c2ccc(C#N)cc2)c1C#N	ZINC001258045843	808651611	/nfs/dbraw/zinc/65/16/11/808651611.db2.gz	YAQCGBZROFXFEY-UHFFFAOYSA-N	-1	0	287.304	0.964	20	30		CCEDRM
COC(=O)CS(=O)(=O)[N-]c1cc(F)cnc1C#N	ZINC001259018429	808717787	/nfs/dbraw/zinc/71/77/87/808717787.db2.gz	KKISVDJIYPSTNY-UHFFFAOYSA-N	-1	0	273.245	0.007	20	30		CCEDRM
C#Cc1nccnc1[N-]S(=O)(=O)c1cccnc1	ZINC001259602399	808761717	/nfs/dbraw/zinc/76/17/17/808761717.db2.gz	XVKCVJKHIJEPDT-UHFFFAOYSA-N	-1	0	260.278	0.654	20	30		CCEDRM
C#Cc1nccnc1[N-]S(=O)(=O)C1CCOCC1	ZINC001259907750	808796490	/nfs/dbraw/zinc/79/64/90/808796490.db2.gz	CHOADVYROMXVIE-UHFFFAOYSA-N	-1	0	267.310	0.379	20	30		CCEDRM
Cn1ccc(S(=O)(=O)[N-]c2cccc(C#N)n2)n1	ZINC001259937567	808812722	/nfs/dbraw/zinc/81/27/22/808812722.db2.gz	BIINSWAXUOWJCT-UHFFFAOYSA-N	-1	0	263.282	0.488	20	30		CCEDRM
Cc1nc(C#N)cnc1[N-]S(=O)(=O)c1ccn(C)n1	ZINC001259938471	808813390	/nfs/dbraw/zinc/81/33/90/808813390.db2.gz	NNFJNRMOAVAVRU-UHFFFAOYSA-N	-1	0	278.297	0.191	20	30		CCEDRM
Cn1ccc(S(=O)(=O)[N-]c2ccc(C#N)c(C#N)c2)n1	ZINC001259943652	808816590	/nfs/dbraw/zinc/81/65/90/808816590.db2.gz	BXZNOXNJFSBAIL-UHFFFAOYSA-N	-1	0	287.304	0.964	20	30		CCEDRM
N#Cc1ccc(CS(=O)(=O)[N-]c2nnco2)cc1	ZINC001260037688	808837744	/nfs/dbraw/zinc/83/77/44/808837744.db2.gz	YREFCALBKIWRBJ-UHFFFAOYSA-N	-1	0	264.266	0.883	20	30		CCEDRM
CS(=O)(=O)CS(=O)(=O)[N-]c1sccc1C#N	ZINC001260583667	808868944	/nfs/dbraw/zinc/86/89/44/808868944.db2.gz	JFAWQPWDZRKZID-UHFFFAOYSA-N	-1	0	280.352	0.364	20	30		CCEDRM
CC(C)C[C@@](C)(C#N)NS(=O)(=O)CS(C)(=O)=O	ZINC001260597632	808873247	/nfs/dbraw/zinc/87/32/47/808873247.db2.gz	BYNFFINXBZQVDQ-VIFPVBQESA-N	-1	0	282.387	0.236	20	30		CCEDRM
CC[C@@H](C)S(=O)(=O)[N-]c1ncnc(OC)c1C#N	ZINC001260727245	808878049	/nfs/dbraw/zinc/87/80/49/808878049.db2.gz	OIWIAGKRUHJBEE-SSDOTTSWSA-N	-1	0	270.314	0.897	20	30		CCEDRM
N#Cc1cccc(O)c1[N-]S(=O)(=O)c1cn[nH]c1	ZINC001260961369	808891658	/nfs/dbraw/zinc/89/16/58/808891658.db2.gz	USFPFJHWPIJOBC-UHFFFAOYSA-N	-1	0	264.266	0.788	20	30		CCEDRM
COC[C@H](CS(=O)(=O)[N-]C(=O)CCCCC#N)OC	ZINC001261647751	809045393	/nfs/dbraw/zinc/04/53/93/809045393.db2.gz	GWZUBJPHHGKPNU-SNVBAGLBSA-N	-1	0	292.357	0.178	20	30		CCEDRM
C=CC[C@@H](NC(=O)[C@@H](C)Cc1c[nH]cn1)C(=O)[O-]	ZINC001261843351	809106524	/nfs/dbraw/zinc/10/65/24/809106524.db2.gz	DEFSCHXATSNQKM-WCBMZHEXSA-N	-1	0	251.286	0.734	20	30		CCEDRM
N#CC(C(=O)NC1CC1)=C([O-])c1cnn2ccncc12	ZINC001263293030	809504640	/nfs/dbraw/zinc/50/46/40/809504640.db2.gz	AEUHMUTTWSVPCH-SECBINFHSA-N	-1	0	269.264	0.330	20	30		CCEDRM
CNC(=O)C(C#N)=C([O-])c1cc(C2CCOCC2)nn1C	ZINC001263311224	809506225	/nfs/dbraw/zinc/50/62/25/809506225.db2.gz	CYHVVHYVVUKQFX-JTQLQIEISA-N	-1	0	290.323	0.383	20	30		CCEDRM
CNC(=O)C(C#N)=C([O-])c1cnc2c(c1)c(C)nn2C	ZINC001263375370	809513832	/nfs/dbraw/zinc/51/38/32/809513832.db2.gz	NUHXRUFBSDKXMG-SNVBAGLBSA-N	-1	0	271.280	0.345	20	30		CCEDRM
Cc1nn(C)c(C)c1CC(=O)C(C#N)=C([O-])c1nccn1C	ZINC001263377662	809514386	/nfs/dbraw/zinc/51/43/86/809514386.db2.gz	IRGFNWXGBKPBSX-GFCCVEGCSA-N	-1	0	299.334	0.905	20	30		CCEDRM
C=CC(C)(C)CCNC(=O)Cn1c(=O)[n-][nH]c1=O	ZINC001167787538	812064122	/nfs/dbraw/zinc/06/41/22/812064122.db2.gz	MZKZISLPKLSQGK-UHFFFAOYSA-N	-1	0	254.290	0.408	20	30		CCEDRM
O=C1[N-]C(=O)C(=NNc2ccc(F)cc2F)C(=O)N1	ZINC000137248747	813466135	/nfs/dbraw/zinc/46/61/35/813466135.db2.gz	XUNCZZJVNNYTLG-UHFFFAOYSA-N	-1	0	268.179	0.099	20	30		CCEDRM
N#CCCN1CC(Oc2[n-]c(=O)nc3ncsc32)C1	ZINC001227612285	814435265	/nfs/dbraw/zinc/43/52/65/814435265.db2.gz	WSBDNQWAUOZRDJ-UHFFFAOYSA-N	-1	0	277.309	0.769	20	30		CCEDRM
N#CC(C(=O)NC1CC1)=C([O-])c1ccc(N)c([N+](=O)[O-])c1	ZINC000129345741	815592406	/nfs/dbraw/zinc/59/24/06/815592406.db2.gz	ROWPQPIPZBOKMA-SECBINFHSA-N	-1	0	288.263	0.778	20	30		CCEDRM
C=C(Cl)CN1CC(NC(=O)c2[nH]nc(C)c2[O-])C1	ZINC001030221974	815906585	/nfs/dbraw/zinc/90/65/85/815906585.db2.gz	AHVVKIYEZLJPPB-UHFFFAOYSA-N	-1	0	270.720	0.590	20	30		CCEDRM
Cn1c(=O)[n-]c(NCCCc2ccccc2)c(C#N)c1=O	ZINC001120792334	816222129	/nfs/dbraw/zinc/22/21/29/816222129.db2.gz	TWSPTMWNLFXZPK-UHFFFAOYSA-N	-1	0	284.319	0.990	20	30		CCEDRM
N#Cc1nc(NC(=O)c2cnc(C3CC3)nc2N)[n-]c1C#N	ZINC000351260763	816667248	/nfs/dbraw/zinc/66/72/48/816667248.db2.gz	WKHGATNNLLYEIB-UHFFFAOYSA-N	-1	0	294.278	0.485	20	30		CCEDRM
C=C(C)CN1CC(NC(=O)c2ccc3oc(=O)nc-3[n-]2)C1	ZINC001031251299	816892129	/nfs/dbraw/zinc/89/21/29/816892129.db2.gz	IXJPPVNPXCXIMA-UHFFFAOYSA-N	-1	0	288.307	0.919	20	30		CCEDRM
N#Cc1nc(NC(=O)c2nnc3ccccc3n2)[n-]c1C#N	ZINC000352610576	817157044	/nfs/dbraw/zinc/15/70/44/817157044.db2.gz	SXVOOZFETFBVIG-UHFFFAOYSA-N	-1	0	290.246	0.744	20	30		CCEDRM
CNC(=O)C(C#N)=C([O-])c1ccc(C(=O)OC)cc1	ZINC000133233848	818673999	/nfs/dbraw/zinc/67/39/99/818673999.db2.gz	JHLIWNRQTKYXPW-SNVBAGLBSA-N	-1	0	260.249	0.542	20	30		CCEDRM
Cc1n[nH]c(C(=O)N[C@@H]2CCCCN(CC#N)C2)c1[O-]	ZINC001034170193	819107000	/nfs/dbraw/zinc/10/70/00/819107000.db2.gz	RDUOTHAJAJNHQC-SNVBAGLBSA-N	-1	0	277.328	0.532	20	30		CCEDRM
C#CC[C@@H](NC(=O)[C@@H](NC(C)=O)C1CCCC1)C(=O)[O-]	ZINC000820352950	821441398	/nfs/dbraw/zinc/44/13/98/821441398.db2.gz	UEGMHIZVNJRQKA-NEPJUHHUSA-N	-1	0	280.324	0.274	20	30		CCEDRM
N#Cc1cnc(N[C@@H]2SC(=O)[N-]C2=O)c(C#N)c1	ZINC001155838007	822258817	/nfs/dbraw/zinc/25/88/17/822258817.db2.gz	VHUDHDCORKAWQU-SECBINFHSA-N	-1	0	259.250	0.546	20	30		CCEDRM
N#CC1(CS(=O)(=O)[N-]C(=O)c2coc(C3CC3)n2)CC1	ZINC000793197028	837403081	/nfs/dbraw/zinc/40/30/81/837403081.db2.gz	MOMFJXYHDJERIG-UHFFFAOYSA-N	-1	0	295.320	0.915	20	30		CCEDRM
CN(C)S(=O)(=O)CCNc1cccc(/C=N/O)c1	ZINC001168867257	836026300	/nfs/dbraw/zinc/02/63/00/836026300.db2.gz	PNTUEWDWEGUMFL-UKTHLTGXSA-N	-1	0	271.342	0.798	20	30		CCEDRM
O=C(CCC(=O)C1=CC=C[CH]1)NC[C@@H]1CCC(=O)N1	ZINC001184245074	844187597	/nfs/dbraw/zinc/18/75/97/844187597.db2.gz	YXZKSKIVSSITSO-NSHDSACASA-N	-1	0	261.301	0.431	20	30		CCEDRM
C[C@@H](Nc1nccnc1C#N)[C@H](C)NC(=O)c1cn[nH]n1	ZINC001113356274	837097179	/nfs/dbraw/zinc/09/71/79/837097179.db2.gz	DMXZZFLLKKITKQ-SFYZADRCSA-N	-1	0	286.299	0.085	20	30		CCEDRM
Cc1ccc(S(=O)(=O)NCCS)cc1C(=O)[O-]	ZINC001184709195	844274967	/nfs/dbraw/zinc/27/49/67/844274967.db2.gz	LVXXHCSNKRPSDW-UHFFFAOYSA-N	-1	0	275.351	0.901	20	30		CCEDRM
CC#CC[N@H+](C)CCCN(C)C(=O)c1n[nH]c(C)c1[O-]	ZINC001273501548	844395263	/nfs/dbraw/zinc/39/52/63/844395263.db2.gz	LCZUPPKCIQIVJO-UHFFFAOYSA-N	-1	0	278.356	0.841	20	30		CCEDRM
C#Cc1cccc(NC(=O)CNC(=O)c2c[n-]ncc2=O)c1	ZINC001136327900	839591040	/nfs/dbraw/zinc/59/10/40/839591040.db2.gz	SXDWGDDRMPMASL-UHFFFAOYSA-N	-1	0	296.286	0.532	20	30		CCEDRM
O=C(C=CC(=O)c1ccccc1)N[C@@H]1SC(=O)[N-]C1=O	ZINC001144710714	840123058	/nfs/dbraw/zinc/12/30/58/840123058.db2.gz	SVFBXNRLEUZROV-NNNHXZLVSA-N	-1	0	290.300	0.851	20	30		CCEDRM
C=C[C@H](CO)NC(=O)c1n[n-]c2ccccc2c1=O	ZINC001148559540	840838010	/nfs/dbraw/zinc/83/80/10/840838010.db2.gz	OXXQWJBQJUWPNC-MRVPVSSYSA-N	-1	0	259.265	0.612	20	30		CCEDRM
N#Cc1ncc([N-]S(=O)(=O)c2ccco2)cn1	ZINC001186811922	844604186	/nfs/dbraw/zinc/60/41/86/844604186.db2.gz	IDYSUQDJEWORHJ-UHFFFAOYSA-N	-1	0	250.239	0.742	20	30		CCEDRM
C#CCCCNC(=O)N1CC(F)(F)C[C@H]1C(=O)[O-]	ZINC000713557944	841142332	/nfs/dbraw/zinc/14/23/32/841142332.db2.gz	YFHQXWLRPHZDMW-QMMMGPOBSA-N	-1	0	260.240	0.904	20	30		CCEDRM
CCOC(=O)[C@H](CS)NS(=O)(=O)c1ccco1	ZINC001186867899	844615337	/nfs/dbraw/zinc/61/53/37/844615337.db2.gz	PPYZAHNXAMHDEW-ZETCQYMHSA-N	-1	0	279.339	0.419	20	30		CCEDRM
N#Cc1c(N)nn(-c2ccc(CC(=O)[O-])cc2)c1N	ZINC001174951741	842221268	/nfs/dbraw/zinc/22/12/68/842221268.db2.gz	MYDJRDPQCNLYRV-UHFFFAOYSA-N	-1	0	257.253	0.535	20	30		CCEDRM
CC(C)(NC(=O)Cc1nnn[n-]1)c1ccc(C#N)cc1	ZINC001176845235	842443834	/nfs/dbraw/zinc/44/38/34/842443834.db2.gz	LMKMLPFCUHUUIV-UHFFFAOYSA-N	-1	0	270.296	0.665	20	30		CCEDRM
Nc1c2c(=O)nccc-2[n-]n1C(=O)C#Cc1cccnc1	ZINC001177782314	842676522	/nfs/dbraw/zinc/67/65/22/842676522.db2.gz	KGYWQZXFIFLSFJ-UHFFFAOYSA-N	-1	0	279.259	0.345	20	30		CCEDRM
N#Cc1cccc2[nH]cc(CC(=O)N[C@@H]3CO[N-]C3=O)c21	ZINC001182582462	843866386	/nfs/dbraw/zinc/86/63/86/843866386.db2.gz	BONDYDIMFBRUAN-LLVKDONJSA-N	-1	0	284.275	0.128	20	30		CCEDRM
N#C[C@H]([N-]C(=O)C(F)(F)c1ccc(F)cc1)C(N)=O	ZINC001182890888	843936913	/nfs/dbraw/zinc/93/69/13/843936913.db2.gz	VIGYLJCGRACSKB-QMMMGPOBSA-N	-1	0	271.198	0.411	20	30		CCEDRM
N#C[C@@H]([N-]C(=O)C(F)(F)c1ccc(F)cc1)C(N)=O	ZINC001182890876	843937391	/nfs/dbraw/zinc/93/73/91/843937391.db2.gz	VIGYLJCGRACSKB-MRVPVSSYSA-N	-1	0	271.198	0.411	20	30		CCEDRM
N#Cc1ccc(OCC(=O)NC2C(=O)N=CN=C2[O-])cc1	ZINC001182914341	843938019	/nfs/dbraw/zinc/93/80/19/843938019.db2.gz	WXKMIQKJHLIQJU-UHFFFAOYSA-N	-1	0	286.247	0.777	20	30		CCEDRM
Cc1oncc1S(=O)(=O)[N-]c1c(C#N)cnn1C	ZINC001187329854	844696783	/nfs/dbraw/zinc/69/67/83/844696783.db2.gz	YDZKAMRFVIPIJW-UHFFFAOYSA-N	-1	0	267.270	0.389	20	30		CCEDRM
N#Cc1nc(N)c(NC(=O)c2ccncc2[O-])nc1C#N	ZINC001188628895	844937907	/nfs/dbraw/zinc/93/79/07/844937907.db2.gz	QOTNHBUFLCMOTF-UHFFFAOYSA-N	-1	0	281.235	0.155	20	30		CCEDRM
C#Cc1cc([N-]S(=O)(=O)c2ncc(F)cc2F)ccn1	ZINC001190141664	845329859	/nfs/dbraw/zinc/32/98/59/845329859.db2.gz	RDGMEFBUPVOJMC-UHFFFAOYSA-N	-1	0	295.270	0.959	20	30		CCEDRM
N#CCCC[N-]S(=O)(=O)c1ncc(F)cc1F	ZINC001190207157	845367575	/nfs/dbraw/zinc/36/75/75/845367575.db2.gz	HNEHZOHGIVNZJA-UHFFFAOYSA-N	-1	0	261.253	0.942	20	30		CCEDRM
N#Cc1cc(CNS(=O)(=O)c2ncc[n-]2)cs1	ZINC001190755643	845471729	/nfs/dbraw/zinc/47/17/29/845471729.db2.gz	AISOCZUUCFCIDT-UHFFFAOYSA-N	-1	0	268.323	0.821	20	30		CCEDRM
N#Cc1c(N)nn(C(=O)c2c([O-])ccc(F)c2F)c1N	ZINC001192729463	845897314	/nfs/dbraw/zinc/89/73/14/845897314.db2.gz	JPJYXHVDHXRORW-UHFFFAOYSA-N	-1	0	279.206	0.591	20	30		CCEDRM
CCOC(=O)c1cc([N-]S(=O)(=O)CC#N)on1	ZINC001192950794	845932806	/nfs/dbraw/zinc/93/28/06/845932806.db2.gz	CLLILXJVEIFSHQ-UHFFFAOYSA-N	-1	0	259.243	0.117	20	30		CCEDRM
Cc1cn2cccc([N-]S(=O)(=O)CC#N)c2n1	ZINC001192934751	845940345	/nfs/dbraw/zinc/94/03/45/845940345.db2.gz	DSRDSAVINLAWJQ-UHFFFAOYSA-N	-1	0	250.283	0.908	20	30		CCEDRM
COC(=O)c1sc([N-]S(=O)(=O)CC#N)c(C#N)c1C	ZINC001192935672	845941668	/nfs/dbraw/zinc/94/16/68/845941668.db2.gz	ZVDRCMMHTYTPNH-UHFFFAOYSA-N	-1	0	299.333	0.980	20	30		CCEDRM
N#Cc1ccncc1C(=O)NC1C(=O)N=CN=C1[O-]	ZINC001192968019	845957677	/nfs/dbraw/zinc/95/76/77/845957677.db2.gz	PVRFAIRPWKHOMQ-UHFFFAOYSA-N	-1	0	257.209	0.407	20	30		CCEDRM
COc1nc(Cl)cnc1[N-]S(=O)(=O)[C@H](C)C#N	ZINC001193104358	845978310	/nfs/dbraw/zinc/97/83/10/845978310.db2.gz	HZJIBBVBPIAMKU-RXMQYKEDSA-N	-1	0	276.705	0.792	20	30		CCEDRM
C[C@@H](C#N)S(=O)(=O)[N-]c1noc2nccnc12	ZINC001193105156	845978467	/nfs/dbraw/zinc/97/84/67/845978467.db2.gz	RJZSNDQDVUOSMZ-YFKPBYRVSA-N	-1	0	253.243	0.272	20	30		CCEDRM
CSc1nc([N-]S(=O)(=O)[C@@H](C)C#N)cc(=O)[nH]1	ZINC001193104064	845978885	/nfs/dbraw/zinc/97/88/85/845978885.db2.gz	FHBNURLELUIJSP-YFKPBYRVSA-N	-1	0	274.327	0.558	20	30		CCEDRM
CCOC(=O)c1cncc([N-]S(=O)(=O)[C@@H](C)C#N)c1	ZINC001193105336	845979262	/nfs/dbraw/zinc/97/92/62/845979262.db2.gz	UWPVOXNWKICGAG-QMMMGPOBSA-N	-1	0	283.309	0.912	20	30		CCEDRM
C[C@H](C#N)S(=O)(=O)[N-]c1cncc(N2CCOCC2)c1	ZINC001193111458	845980701	/nfs/dbraw/zinc/98/07/01/845980701.db2.gz	HYSOTHGDLCLZSO-SNVBAGLBSA-N	-1	0	296.352	0.572	20	30		CCEDRM
Cc1cccc(C(N)=O)c1[N-]S(=O)(=O)[C@@H](C)C#N	ZINC001193149050	846006647	/nfs/dbraw/zinc/00/66/47/846006647.db2.gz	JJUDUGXLEADDAG-QMMMGPOBSA-N	-1	0	267.310	0.748	20	30		CCEDRM
CCOC(=O)[C@@H]([N-]S(=O)(=O)[C@H](C)C#N)C(F)(F)F	ZINC001193168456	846011121	/nfs/dbraw/zinc/01/11/21/846011121.db2.gz	CGOKUBPGBDDLEE-PHDIDXHHSA-N	-1	0	288.247	0.312	20	30		CCEDRM
N#Cc1ccnc([N-]S(=O)(=O)C[C@@H]2CCCO2)c1	ZINC001193196339	846015040	/nfs/dbraw/zinc/01/50/40/846015040.db2.gz	KLPPCMZQBDGMNG-JTQLQIEISA-N	-1	0	267.310	0.874	20	30		CCEDRM
Cc1nc(C#N)cnc1[N-]S(=O)(=O)C[C@H]1CCCO1	ZINC001193207649	846020405	/nfs/dbraw/zinc/02/04/05/846020405.db2.gz	NDMIZJJPDMIUCS-SNVBAGLBSA-N	-1	0	282.325	0.577	20	30		CCEDRM
N#Cc1cc(C(=O)N2CC[C@@H](O)[C@@H](CO)C2)ccc1[O-]	ZINC001193507291	846101802	/nfs/dbraw/zinc/10/18/02/846101802.db2.gz	VBUPGNCDBUDVER-DGCLKSJQSA-N	-1	0	276.292	0.079	20	30		CCEDRM
Cc1cnc(C#N)c([N-]S(=O)(=O)c2nccn2C)c1	ZINC001193557977	846118809	/nfs/dbraw/zinc/11/88/09/846118809.db2.gz	XOBTVOQQLUWZLS-UHFFFAOYSA-N	-1	0	277.309	0.796	20	30		CCEDRM
CCNC(=O)CN(C)C(=O)c1cccc(C#N)c1[O-]	ZINC001193635466	846131446	/nfs/dbraw/zinc/13/14/46/846131446.db2.gz	VJENZJMMLLGOFS-UHFFFAOYSA-N	-1	0	261.281	0.472	20	30		CCEDRM
N#Cc1cccc(C(=O)N2CCO[C@@H](C#N)C2)c1[O-]	ZINC001193646771	846138930	/nfs/dbraw/zinc/13/89/30/846138930.db2.gz	NIXNNRIAFKHZDC-JTQLQIEISA-N	-1	0	257.249	0.628	20	30		CCEDRM
C=CCCOc1ccc(C(=O)N=c2nn[n-]n2C)cc1	ZINC001195115411	846462618	/nfs/dbraw/zinc/46/26/18/846462618.db2.gz	ULSQGEMXQMEBGC-UHFFFAOYSA-N	-1	0	273.296	0.839	20	30		CCEDRM
CCOC(=O)NC(=S)[N-]c1cn(C)nc1C#N	ZINC001195459058	846534889	/nfs/dbraw/zinc/53/48/89/846534889.db2.gz	YAVCTKIRWUAFGE-UHFFFAOYSA-N	-1	0	253.287	0.735	20	30		CCEDRM
C=CCCS(=O)(=O)[N-]CC(F)(F)C(=O)OC	ZINC001195669239	846602174	/nfs/dbraw/zinc/60/21/74/846602174.db2.gz	GTOIUHNINRWNRV-UHFFFAOYSA-N	-1	0	257.258	0.290	20	30		CCEDRM
N#Cc1ccc(C(=O)N[C@@H]2CCS(=O)(=O)C2)c([O-])c1	ZINC001195757356	846610403	/nfs/dbraw/zinc/61/04/03/846610403.db2.gz	AZDKFFDCITUQLI-SECBINFHSA-N	-1	0	280.305	0.181	20	30		CCEDRM
CC(=O)N1CC(NC(=O)c2ccc(C#N)cc2[O-])C1	ZINC001195764993	846613803	/nfs/dbraw/zinc/61/38/03/846613803.db2.gz	VNBWSMYUZJFQJZ-UHFFFAOYSA-N	-1	0	259.265	0.224	20	30		CCEDRM
N#Cc1ccc(C(=O)N2CC[C@@H](C(N)=O)C2)c([O-])c1	ZINC001195742121	846619385	/nfs/dbraw/zinc/61/93/85/846619385.db2.gz	YCDSJPPYVJXDHI-SECBINFHSA-N	-1	0	259.265	0.211	20	30		CCEDRM
COCCN1CCN(C(=O)c2ccc(C#N)cc2[O-])CC1	ZINC001195740363	846619492	/nfs/dbraw/zinc/61/94/92/846619492.db2.gz	DHRZPOURFBEPAU-UHFFFAOYSA-N	-1	0	289.335	0.668	20	30		CCEDRM
CCOC(=O)[C@@H](C#N)NC(=O)c1cc(Cl)ncc1[O-]	ZINC001196401217	846744332	/nfs/dbraw/zinc/74/43/32/846744332.db2.gz	WEUIOKGRGPESKJ-SSDOTTSWSA-N	-1	0	283.671	0.626	20	30		CCEDRM
C#Cc1cc([N-]S(=O)(=O)c2cnc(C)n2C)ccn1	ZINC001198353999	847102017	/nfs/dbraw/zinc/10/20/17/847102017.db2.gz	HIIYXMIYGZYPJH-UHFFFAOYSA-N	-1	0	276.321	0.328	20	30		CCEDRM
N#Cc1ccc(Cl)cc1S(=O)(=O)NCC(=O)[O-]	ZINC000037418959	848118967	/nfs/dbraw/zinc/11/89/67/848118967.db2.gz	LVVYMTQDFPVIGT-UHFFFAOYSA-N	-1	0	274.685	0.575	20	30		CCEDRM
C=C(C)CN1CC[C@@H]1CNC(=O)c1[nH]nc(C)c1[O-]	ZINC001038161146	849803899	/nfs/dbraw/zinc/80/38/99/849803899.db2.gz	LDGNWHUXEDCEMI-SNVBAGLBSA-N	-1	0	264.329	0.804	20	30		CCEDRM
C=C(Cl)CN1CC[C@H]1CNC(=O)c1[nH]nc(C)c1[O-]	ZINC001038167532	849806056	/nfs/dbraw/zinc/80/60/56/849806056.db2.gz	CPYHSKNTVPDIJO-VIFPVBQESA-N	-1	0	284.747	0.980	20	30		CCEDRM
Cc1[nH]nc(C(=O)N2CC[C@@H]3CCN(CC#N)[C@H]3C2)c1[O-]	ZINC001042016466	850557050	/nfs/dbraw/zinc/55/70/50/850557050.db2.gz	PTQKJDYKTQOFDB-QWRGUYRKSA-N	-1	0	289.339	0.484	20	30		CCEDRM
N#Cc1ccc(CC(=O)N2CCCC[C@@H]2C(=O)[O-])cn1	ZINC000901495781	851724408	/nfs/dbraw/zinc/72/44/08/851724408.db2.gz	OAINGJVUKMBIHE-GFCCVEGCSA-N	-1	0	273.292	0.961	20	30		CCEDRM
COC(=O)C(F)(F)C[N-]S(=O)(=O)CCCCC#N	ZINC001309922401	908479450	/nfs/dbraw/zinc/47/94/50/908479450.db2.gz	FSAPYVPFXPEKNB-UHFFFAOYSA-N	-1	0	284.284	0.408	20	30		CCEDRM
C#CCN1CCN(C(=O)C2(C(=O)[O-])CCC2)CC1	ZINC000383792111	852965443	/nfs/dbraw/zinc/96/54/43/852965443.db2.gz	HDPHCGKKIXHYLQ-UHFFFAOYSA-N	-1	0	250.298	0.019	20	30		CCEDRM
C=C(C)CN1CCOC[C@H]1CNC(=O)c1[nH]nc(C)c1[O-]	ZINC001050866306	853467249	/nfs/dbraw/zinc/46/72/49/853467249.db2.gz	UQOCBNJZCSTDQY-LLVKDONJSA-N	-1	0	294.355	0.430	20	30		CCEDRM
Cc1n[nH]c(C(=O)N[C@H]2CCCN(CC#N)CC2)c1[O-]	ZINC001052311200	853729129	/nfs/dbraw/zinc/72/91/29/853729129.db2.gz	HRVIZAIIUSUAMF-JTQLQIEISA-N	-1	0	277.328	0.532	20	30		CCEDRM
C#CC[C@H](NC(=O)CNC(=O)c1cccs1)C(=O)[O-]	ZINC000149594782	853988223	/nfs/dbraw/zinc/98/82/23/853988223.db2.gz	UIPGUZILEQZJDK-QMMMGPOBSA-N	-1	0	280.305	0.071	20	30		CCEDRM
C#CC[C@@H](NC(=O)c1cc(OC)cs1)C(=O)[O-]	ZINC000149871730	854005149	/nfs/dbraw/zinc/00/51/49/854005149.db2.gz	QEQRILVLHVWISO-MRVPVSSYSA-N	-1	0	253.279	0.963	20	30		CCEDRM
C#CCOCCC(=O)[N-]S(=O)(=O)c1ccccc1C#N	ZINC001116383332	855756440	/nfs/dbraw/zinc/75/64/40/855756440.db2.gz	RCGGLJBOLZQSGR-UHFFFAOYSA-N	-1	0	292.316	0.403	20	30		CCEDRM
C#CCNC(=O)c1ccc(N[C@H](C)CC(=O)[O-])nc1	ZINC001118024008	856138557	/nfs/dbraw/zinc/13/85/57/856138557.db2.gz	XUPNVHXNCRXHCU-SECBINFHSA-N	-1	0	261.281	0.720	20	30		CCEDRM
C#CCO[C@@H](C)C(=O)N[C@@H]1CCOC2(CC(C(=O)[O-])C2)C1	ZINC001119649600	856812571	/nfs/dbraw/zinc/81/25/71/856812571.db2.gz	RJSQJCGTIDDAQF-DILZAHMFSA-N	-1	0	295.335	0.553	20	30		CCEDRM
Cc1nnc(N=NC(C)C[C@H]2CCC(=O)N2)[n-]c1=O	ZINC001324648540	912960097	/nfs/dbraw/zinc/96/00/97/912960097.db2.gz	LECIXKGWDOLENC-MRVPVSSYSA-N	-1	0	264.289	0.342	20	30		CCEDRM
C=CC[C@H](NC(=O)COC[C@H]1CCCO1)C(=O)[O-]	ZINC001325145204	913242408	/nfs/dbraw/zinc/24/24/08/913242408.db2.gz	XQSGCNSWQDBBKQ-ZJUUUORDSA-N	-1	0	257.286	0.328	20	30		CCEDRM
C=CCOC[C@H](NC(=O)[C@H]1CCC[C@H]1OC)C(=O)[O-]	ZINC001349931257	891799587	/nfs/dbraw/zinc/79/95/87/891799587.db2.gz	HOXZFKGBEVVVJQ-GARJFASQSA-N	-1	0	271.313	0.574	20	30		CCEDRM
CCOC(=O)[C@H](C)NC(=O)c1[n-]c(=O)c(C#N)cc1C	ZINC001362078093	893503950	/nfs/dbraw/zinc/50/39/50/893503950.db2.gz	MCHIWSKBSDGOTE-QMMMGPOBSA-N	-1	0	277.280	0.649	20	30		CCEDRM
C=C[C@@H]1OCC[C@H]1C(=O)[N-]S(=O)(=O)C(F)F	ZINC001326636805	914066377	/nfs/dbraw/zinc/06/63/77/914066377.db2.gz	ITCANXMFYDGXJM-RITPCOANSA-N	-1	0	255.242	0.246	20	30		CCEDRM
C#CCSCCNC(=O)C(=O)[N-]OC1CCCCC1	ZINC001326871100	914245211	/nfs/dbraw/zinc/24/52/11/914245211.db2.gz	TUCCPBYJNCHSHS-UHFFFAOYSA-N	-1	0	284.381	0.850	20	30		CCEDRM
CCOC(=O)c1scnc1[N-]S(=O)(=O)[C@@H](C)C#N	ZINC001193106287	900031727	/nfs/dbraw/zinc/03/17/27/900031727.db2.gz	NWKIVYGWBCKCQY-LURJTMIESA-N	-1	0	289.338	0.974	20	30		CCEDRM
CCc1cnn2cc([N-]S(=O)(=O)[C@@H](C)C#N)cnc12	ZINC001193110663	900033215	/nfs/dbraw/zinc/03/32/15/900033215.db2.gz	AONFNYYFHZAEDW-QMMMGPOBSA-N	-1	0	279.325	0.945	20	30		CCEDRM
C[C@@H](C#N)S(=O)(=O)[N-]c1cccc2c1CNC2=O	ZINC001193140155	900034227	/nfs/dbraw/zinc/03/42/27/900034227.db2.gz	SZKJNGWDFCTQLH-ZETCQYMHSA-N	-1	0	265.294	0.584	20	30		CCEDRM
Cc1nncn1CCNC(=O)c1[n-]c(=O)c(C#N)cc1C	ZINC001411803664	901260596	/nfs/dbraw/zinc/26/05/96/901260596.db2.gz	FWEXVMWZOUCIND-UHFFFAOYSA-N	-1	0	286.295	0.297	20	30		CCEDRM
Cn1c(C#N)ccc1C(=O)N1CCC[C@H](Cc2nnn[n-]2)C1	ZINC001412603207	901861777	/nfs/dbraw/zinc/86/17/77/901861777.db2.gz	BBSHFWBHVFIXTH-SNVBAGLBSA-N	-1	0	299.338	0.505	20	30		CCEDRM
COC(=O)[C@@H]1CC[C@@H]1NC(=O)c1[n-]c(=O)c(C#N)cc1C	ZINC001412656741	901911407	/nfs/dbraw/zinc/91/14/07/901911407.db2.gz	UYVAAHWZPHHFJJ-ZJUUUORDSA-N	-1	0	289.291	0.649	20	30		CCEDRM
N#Cc1cccc(C(=O)N2CC3(C[C@@H]3C(N)=O)C2)c1[O-]	ZINC001276215593	901971420	/nfs/dbraw/zinc/97/14/20/901971420.db2.gz	MYQKBMWOVQDRRK-SNVBAGLBSA-N	-1	0	271.276	0.211	20	30		CCEDRM
N#C[C@@H](CCc1ccccc1)C(=O)NCc1nc(=O)o[n-]1	ZINC001412726095	901989011	/nfs/dbraw/zinc/98/90/11/901989011.db2.gz	JQNCOUWEEAQGGI-LLVKDONJSA-N	-1	0	286.291	0.752	20	30		CCEDRM
C[C@H](CC(=O)[O-])NC(=O)CC1(C#N)CCOCC1	ZINC001327530903	914597250	/nfs/dbraw/zinc/59/72/50/914597250.db2.gz	BFQMGWKPRRNJFX-SECBINFHSA-N	-1	0	254.286	0.676	20	30		CCEDRM
CC(C)C(C)(C)NC(=O)Cn1cc(C#N)c(=O)[n-]c1=O	ZINC001413233127	902803432	/nfs/dbraw/zinc/80/34/32/902803432.db2.gz	NOQVQGLBNQIPLR-UHFFFAOYSA-N	-1	0	278.312	0.371	20	30		CCEDRM
C[C@H]1OCC[C@@H]1Sc1[n-]c(=O)n(C)c(=O)c1C#N	ZINC001337091587	921183607	/nfs/dbraw/zinc/18/36/07/921183607.db2.gz	DSJWCSATGJFQPB-SVRRBLITSA-N	-1	0	267.310	0.215	20	30		CCEDRM
CC[C@H](C)CONc1[n-]c(=O)n(C)c(=O)c1C#N	ZINC001337992858	921332776	/nfs/dbraw/zinc/33/27/76/921332776.db2.gz	MFYZDJJMACGUBK-ZETCQYMHSA-N	-1	0	252.274	0.335	20	30		CCEDRM
CO[N-]C(=O)CNC(=O)c1cc(F)c(C#N)c(F)c1	ZINC001304258533	908161568	/nfs/dbraw/zinc/16/15/68/908161568.db2.gz	KFHVSLFTTBEANP-UHFFFAOYSA-N	-1	0	269.207	0.244	20	30		CCEDRM
N#C[C@H]1CC[C@@H](NC(=O)N2CC[C@H](C(=O)[O-])C2)C1	ZINC001341449286	908598709	/nfs/dbraw/zinc/59/87/09/908598709.db2.gz	GSYKZQJMEXNUQO-LPEHRKFASA-N	-1	0	251.286	0.795	20	30		CCEDRM
C#CCCN1CCN(C(=O)c2n[nH]c(C)c2[O-])CC1	ZINC001313443874	908671180	/nfs/dbraw/zinc/67/11/80/908671180.db2.gz	FZAGLVRXFFVOFQ-UHFFFAOYSA-N	-1	0	262.313	0.205	20	30		CCEDRM
N#Cc1ccc(C(=O)N2CCSC[C@@H]2c2nnn[n-]2)[nH]1	ZINC001417719280	921570743	/nfs/dbraw/zinc/57/07/43/921570743.db2.gz	BDSFTVIMHKCQAU-SECBINFHSA-N	-1	0	289.324	0.330	20	30		CCEDRM
C=C(C)CO[N-]C(=O)[C@H]1CC(c2cnn(C)c2)=NO1	ZINC001339060590	921641665	/nfs/dbraw/zinc/64/16/65/921641665.db2.gz	OEAUMWOJBFRFQG-LLVKDONJSA-N	-1	0	264.285	0.537	20	30		CCEDRM
C=CC[C@@H](NC(=O)CCC(=O)NCCC)C(=O)[O-]	ZINC001321337659	911240039	/nfs/dbraw/zinc/24/00/39/911240039.db2.gz	COEULZQWJAYJSR-SECBINFHSA-N	-1	0	256.302	0.438	20	30		CCEDRM
C=CC[C@@H](NC(=O)Cn1nc(C)c2cccnc21)C(=O)[O-]	ZINC001339523358	921750137	/nfs/dbraw/zinc/75/01/37/921750137.db2.gz	HUOUSGBKWSOWBQ-LLVKDONJSA-N	-1	0	288.307	0.885	20	30		CCEDRM
C#CC[C@@H](NC(=O)[C@H](C)N1CCSCC1)C(=O)[O-]	ZINC001339539455	921756439	/nfs/dbraw/zinc/75/64/39/921756439.db2.gz	MJWJYNPMZKCCKM-VHSXEESVSA-N	-1	0	270.354	0.016	20	30		CCEDRM
C#CCN(CC1CC1)C(=O)c1c[n-]n2c1nccc2=O	ZINC001328986155	915569246	/nfs/dbraw/zinc/56/92/46/915569246.db2.gz	BQEYATANLYAZJC-UHFFFAOYSA-N	-1	0	270.292	0.508	20	30		CCEDRM
C=C[C@H](C)O[N-]C(=O)c1cn(C)c2c(cnn2C)c1=O	ZINC001329746225	916161322	/nfs/dbraw/zinc/16/13/22/916161322.db2.gz	PKSUVLAWULDYTM-QMMMGPOBSA-N	-1	0	276.296	0.508	20	30		CCEDRM
C=CCN(C(=O)C(=O)N[C@H]1C[C@H](C(=O)[O-])C1)C1CC1	ZINC001331075292	917069989	/nfs/dbraw/zinc/06/99/89/917069989.db2.gz	QJPITBMGLQMJCW-KYZUINATSA-N	-1	0	266.297	0.143	20	30		CCEDRM
C=CCOCCCNC(=O)C(=O)[N-]OCc1ccccc1	ZINC001331085540	917078853	/nfs/dbraw/zinc/07/88/53/917078853.db2.gz	MUOBCLZYVRJRPJ-UHFFFAOYSA-N	-1	0	292.335	0.943	20	30		CCEDRM
C#CCOCCC(=O)[N-]S(=O)(=O)CC[C@@H]1CCCO1	ZINC001331552749	917412856	/nfs/dbraw/zinc/41/28/56/917412856.db2.gz	QVXMXQWWYNXJJI-NSHDSACASA-N	-1	0	289.353	0.041	20	30		CCEDRM
C=CC[C@@H](NC(=O)[C@@H]1CCc2nnn(C)c2C1)C(=O)[O-]	ZINC001332136356	917894595	/nfs/dbraw/zinc/89/45/95/917894595.db2.gz	NZRAOWGXWAGFPO-PSASIEDQSA-N	-1	0	278.312	0.066	20	30		CCEDRM
C#CC[C@@H](NC(=O)c1ccc(OCC)nc1)C(=O)[O-]	ZINC001332175303	917934422	/nfs/dbraw/zinc/93/44/22/917934422.db2.gz	MTFPLSOOVVCMMC-SNVBAGLBSA-N	-1	0	262.265	0.687	20	30		CCEDRM
C#CCCN1CCN(C(=O)[C@H]2CC[C@@H](C(=O)[O-])C2)CC1	ZINC001332180723	917938439	/nfs/dbraw/zinc/93/84/39/917938439.db2.gz	WYHMNNGQZAGIFE-QWHCGFSZSA-N	-1	0	278.352	0.655	20	30		CCEDRM
C#CCN1CCC[C@H]1C(=O)NCc1ncc(C(=O)[O-])s1	ZINC001332190210	917941612	/nfs/dbraw/zinc/94/16/12/917941612.db2.gz	RXMBPQWNMGKUDT-VIFPVBQESA-N	-1	0	293.348	0.555	20	30		CCEDRM
C=C(C)Cn1[n-]c(C)c([C@@H]2CCS(=O)(=O)C2)c1=O	ZINC001332221428	917963118	/nfs/dbraw/zinc/96/31/18/917963118.db2.gz	GZOFIFJLRRQMEX-MNOVXSKESA-N	-1	0	270.354	0.832	20	30		CCEDRM
C#CC[C@H](NC(=O)c1cc([C@H]2CCCN2C)n[nH]1)C(=O)[O-]	ZINC001332625714	918326285	/nfs/dbraw/zinc/32/62/85/918326285.db2.gz	YXRIIBOCLKFJAL-JOYOIKCWSA-N	-1	0	290.323	0.383	20	30		CCEDRM
C=CCCCNC(=O)C(=O)N[C@H]1C[C@H](C(=O)[O-])C1	ZINC001333829629	919192107	/nfs/dbraw/zinc/19/21/07/919192107.db2.gz	CGSQBZOEEHWJGD-KYZUINATSA-N	-1	0	254.286	0.048	20	30		CCEDRM
C=CC[C@H](NC(=O)N[C@@H](C)[C@H]1CN(C)CCO1)C(=O)[O-]	ZINC001334449588	919594517	/nfs/dbraw/zinc/59/45/17/919594517.db2.gz	UMHWYVLNVOHXND-GARJFASQSA-N	-1	0	285.344	0.034	20	30		CCEDRM
Cc1cc(C#N)c(=O)[n-]c1C(=O)N[C@@H](CO)c1cccnc1	ZINC001418092454	921825542	/nfs/dbraw/zinc/82/55/42/921825542.db2.gz	MWDYOBIZQLGBBS-LBPRGKRZSA-N	-1	0	298.302	0.826	20	30		CCEDRM
C=CCn1c(-c2cc(=O)[nH][n-]2)nnc1N1CC[C@@H]2C[C@@H]2C1	ZINC001340427632	922083973	/nfs/dbraw/zinc/08/39/73/922083973.db2.gz	AJMADNGMOTUPRN-NXEZZACHSA-N	-1	0	286.339	0.534	20	30		CCEDRM
C#CC1CCN(C(=O)NCC2(C(=O)[O-])CCOCC2)CC1	ZINC001340494061	922097613	/nfs/dbraw/zinc/09/76/13/922097613.db2.gz	KDIBUIVBROMCLB-UHFFFAOYSA-N	-1	0	294.351	0.923	20	30		CCEDRM
Cn1nc(C([O-])=C(C#N)C(=O)NC2CC2)cc1Cl	ZINC001341948418	922735122	/nfs/dbraw/zinc/73/51/22/922735122.db2.gz	SOTFEBBDZHWLDK-SSDOTTSWSA-N	-1	0	266.688	0.675	20	30		CCEDRM
COCCNC(=O)C(C#N)=C([O-])c1ocnc1C(F)F	ZINC001341955172	922737576	/nfs/dbraw/zinc/73/75/76/922737576.db2.gz	PATKJMZLAXEEMJ-LURJTMIESA-N	-1	0	287.222	0.697	20	30		CCEDRM
CCCn1cc(C([O-])=C(C#N)c2nccn2C)nn1	ZINC001342166186	922840424	/nfs/dbraw/zinc/84/04/24/922840424.db2.gz	OICTYOUJGWLBJM-VIFPVBQESA-N	-1	0	258.285	0.912	20	30		CCEDRM
CNC(=O)C(C#N)=C([O-])c1cnc2c(cnn2C)c1	ZINC001343447520	923322170	/nfs/dbraw/zinc/32/21/70/923322170.db2.gz	QBSGIZHOIROMCK-SECBINFHSA-N	-1	0	257.253	0.037	20	30		CCEDRM
C=CCNC(=O)C(C#N)=C([O-])c1cc(Cl)n(C)n1	ZINC001343511107	923357303	/nfs/dbraw/zinc/35/73/03/923357303.db2.gz	YTYHFQKQWHHONM-ZETCQYMHSA-N	-1	0	266.688	0.698	20	30		CCEDRM
Cc1nnc(NN=Cc2cnc([C@H](C)O)s2)[n-]c1=O	ZINC001343884423	923490429	/nfs/dbraw/zinc/49/04/29/923490429.db2.gz	MMBLDUKJKGUHQW-LURJTMIESA-N	-1	0	280.313	0.841	20	30		CCEDRM
Cn1ccnc1C([O-])=C(C#N)C(=O)CCCCC(N)=O	ZINC001344043120	923537789	/nfs/dbraw/zinc/53/77/89/923537789.db2.gz	GTQWGTFTMUAYGL-SECBINFHSA-N	-1	0	276.296	0.357	20	30		CCEDRM
Cc1oc(C#N)cc1C(=O)[N-]S(=O)(=O)C(F)F	ZINC001344486347	923616658	/nfs/dbraw/zinc/61/66/58/923616658.db2.gz	DLZXURPSKYJXTB-UHFFFAOYSA-N	-1	0	264.209	0.742	20	30		CCEDRM
Cn1ccnc1C(=O)C(C#N)=C([O-])c1cnn2ccncc12	ZINC001344642182	923657756	/nfs/dbraw/zinc/65/77/56/923657756.db2.gz	MTTIAOYYJRXFEH-SECBINFHSA-N	-1	0	294.274	0.668	20	30		CCEDRM
C=C(C)CCC(=O)N1CCC[C@@H]1C(=O)NCC(=O)[O-]	ZINC001345132523	923801044	/nfs/dbraw/zinc/80/10/44/923801044.db2.gz	DFHWQOCRVPRGIJ-SNVBAGLBSA-N	-1	0	268.313	0.535	20	30		CCEDRM
C=CCNC(=O)C(C#N)=C([O-])c1noc2c1COCC2	ZINC001346121508	924075432	/nfs/dbraw/zinc/07/54/32/924075432.db2.gz	CKXOZHFBRCAGEL-MRVPVSSYSA-N	-1	0	275.264	0.372	20	30		CCEDRM
Cn1c(=O)[n-]c(N[C@@H]2CCc3ccc(O)cc32)c(C#N)c1=O	ZINC001421201557	924211225	/nfs/dbraw/zinc/21/12/25/924211225.db2.gz	CCBNBQKXMXWWTP-GFCCVEGCSA-N	-1	0	298.302	0.750	20	30		CCEDRM
C=C(C)Cn1c(-c2cc(=O)[nH][n-]2)nnc1N1CCCC1	ZINC001346514233	924246543	/nfs/dbraw/zinc/24/65/43/924246543.db2.gz	DQTPLOXKTYGVRN-UHFFFAOYSA-N	-1	0	274.328	0.678	20	30		CCEDRM
CC(=O)c1cc(C([O-])=C(C#N)C(=O)NC2CC2)n(C)c1	ZINC001347063495	924363235	/nfs/dbraw/zinc/36/32/35/924363235.db2.gz	KNJPDENOBYJNLC-NSHDSACASA-N	-1	0	273.292	0.829	20	30		CCEDRM
C[C@H](N(C)c1[n-]c(=O)n(C)c(=O)c1C#N)C(C)(C)C	ZINC001347893449	924556358	/nfs/dbraw/zinc/55/63/58/924556358.db2.gz	NURVJUXVXGWKBO-QMMMGPOBSA-N	-1	0	264.329	0.816	20	30		CCEDRM
C=CCN(C(=O)C(=O)N[C@H]1C[C@@H](C(=O)[O-])C1)[C@@H](C)COC	ZINC001349958056	925105923	/nfs/dbraw/zinc/10/59/23/925105923.db2.gz	IDHZSOSHUBODDP-GARJFASQSA-N	-1	0	298.339	0.015	20	30		CCEDRM
C=CCn1c(-c2cc(=O)[nH][n-]2)nnc1N1CC[C@H](C)C1	ZINC001351852989	925486150	/nfs/dbraw/zinc/48/61/50/925486150.db2.gz	ZICSTUINJPEMEQ-VIFPVBQESA-N	-1	0	274.328	0.534	20	30		CCEDRM
C#CCC[C@H](O)CNC(=O)c1c(C)[nH]c(=O)[nH]c1=S	ZINC001352159987	925535947	/nfs/dbraw/zinc/53/59/47/925535947.db2.gz	PZLGNDXZCQHVCS-QMMMGPOBSA-N	-1	0	281.337	0.283	20	30		CCEDRM
CN1CCCC[C@@H](C(=O)Nc2nc(C#N)c(C#N)[n-]2)C1=O	ZINC001300044241	925594211	/nfs/dbraw/zinc/59/42/11/925594211.db2.gz	DNFBLHWINGPQGW-QMMMGPOBSA-N	-1	0	286.295	0.350	20	30		CCEDRM
O=C([O-])Cn1cc(C=NN[C@@H]2CCCSC2)nn1	ZINC001353101717	925729517	/nfs/dbraw/zinc/72/95/17/925729517.db2.gz	OLONZEFOVJSVEO-MRVPVSSYSA-N	-1	0	269.330	0.182	20	30		CCEDRM
CCC(CC)[C@H](O)CNc1[n-]c(=O)n(C)c(=O)c1C#N	ZINC001472698157	926125024	/nfs/dbraw/zinc/12/50/24/926125024.db2.gz	KONVTXHAILRMIY-SNVBAGLBSA-N	-1	0	280.328	0.154	20	30		CCEDRM
C=CCNS(=O)(=O)c1ccccc1NCC(=O)[N-]OC	ZINC001355346721	926245095	/nfs/dbraw/zinc/24/50/95/926245095.db2.gz	WIUAIAVYXJELAZ-UHFFFAOYSA-N	-1	0	299.352	0.240	20	30		CCEDRM
C#CCN(CC#CC)c1nnc(-c2cc(=O)n(C)[n-]2)n1C	ZINC001355610348	926292525	/nfs/dbraw/zinc/29/25/25/926292525.db2.gz	LEOQXIJDLSALJR-UHFFFAOYSA-N	-1	0	284.323	0.384	20	30		CCEDRM
C[C@@H](Cc1ccco1)Nc1[n-]c(=O)n(C)c(=O)c1C#N	ZINC001413876547	926562447	/nfs/dbraw/zinc/56/24/47/926562447.db2.gz	FTMNVKLAZMKZSG-QMMMGPOBSA-N	-1	0	274.280	0.581	20	30		CCEDRM
Cc1ncoc1C([O-])=C(C#N)C(=O)c1nccn1C	ZINC001357624519	926572766	/nfs/dbraw/zinc/57/27/66/926572766.db2.gz	OHBSDYZHECYMRM-QMMMGPOBSA-N	-1	0	258.237	0.922	20	30		CCEDRM
N#Cc1c[n-]n2c1nc(CN1CC[C@@H](O)[C@@H](F)C1)cc2=O	ZINC001414054135	926904205	/nfs/dbraw/zinc/90/42/05/926904205.db2.gz	QCSIDPMVHURUJF-WDEREUQCSA-N	-1	0	291.286	0.211	20	30		CCEDRM
Cn1c(=O)[n-]c(N2CCC[C@H]2c2ncc[nH]2)c(C#N)c1=O	ZINC001413890243	926930566	/nfs/dbraw/zinc/93/05/66/926930566.db2.gz	YMRPPEWDNYPYHJ-VIFPVBQESA-N	-1	0	286.295	0.010	20	30		CCEDRM
C#CC[C@H](NC(=O)C1CCN(C(=O)C(C)C)CC1)C(=O)[O-]	ZINC000149563666	926940924	/nfs/dbraw/zinc/94/09/24/926940924.db2.gz	ZRUHWWYCLNFEEC-LBPRGKRZSA-N	-1	0	294.351	0.474	20	30		CCEDRM
Cc1noc(C)c1NC(=O)Cn1cc(C#N)c(=O)[n-]c1=O	ZINC001361851341	927389565	/nfs/dbraw/zinc/38/95/65/927389565.db2.gz	DENAMBIPZWHGII-UHFFFAOYSA-N	-1	0	289.251	0.064	20	30		CCEDRM
CN(Cc1ccc(C#N)cc1)C(=O)Cn1c(=O)[n-][nH]c1=O	ZINC001361907456	927437061	/nfs/dbraw/zinc/43/70/61/927437061.db2.gz	UNIPOLQPKOOSMF-UHFFFAOYSA-N	-1	0	287.279	0.220	20	30		CCEDRM
Cc1cc(C#N)c(=O)[n-]c1C(=O)N[C@@H](C)CC[S@](C)=O	ZINC001361954152	927475911	/nfs/dbraw/zinc/47/59/11/927475911.db2.gz	SXDFVJXIIJKHHB-LXGOIASLSA-N	-1	0	295.364	0.854	20	30		CCEDRM
CNC(=O)C(C)(C)CNC(=O)c1[n-]c(=O)c(C#N)cc1C	ZINC001362263317	927795818	/nfs/dbraw/zinc/79/58/18/927795818.db2.gz	FCRYJBSCBPKLMH-UHFFFAOYSA-N	-1	0	290.323	0.469	20	30		CCEDRM
N#CCC1CCN(C(=O)CCCn2c(=O)[n-][nH]c2=O)CC1	ZINC001362339581	927896907	/nfs/dbraw/zinc/89/69/07/927896907.db2.gz	FALDDLDZFKISOV-UHFFFAOYSA-N	-1	0	293.327	0.622	20	30		CCEDRM
COC(=O)C1(NC(=O)c2[n-]c(=O)c(C#N)cc2C)CCC1	ZINC001362511697	928116880	/nfs/dbraw/zinc/11/68/80/928116880.db2.gz	ZNMQMXDDQRZVPP-UHFFFAOYSA-N	-1	0	289.291	0.793	20	30		CCEDRM
CN(Cc1nc(=O)o[n-]1)C(=O)[C@@H]1C[C@H]1c1cccc(C#N)c1	ZINC001362605352	928238883	/nfs/dbraw/zinc/23/88/83/928238883.db2.gz	LRKIZQPKBUAEJH-NWDGAFQWSA-N	-1	0	298.302	0.997	20	30		CCEDRM
N#Cc1cn(CCC(=O)N[C@@H]2C[C@H]3C[C@H]3C2)c(=O)[n-]c1=O	ZINC001362908704	928640653	/nfs/dbraw/zinc/64/06/53/928640653.db2.gz	RKTJSUIOXPKTBT-DOFRTFSJSA-N	-1	0	288.307	0.125	20	30		CCEDRM
COc1ncc(NC(=O)c2cc(=O)n(C)[n-]2)cc1C#N	ZINC001363393795	929179895	/nfs/dbraw/zinc/17/98/95/929179895.db2.gz	WAIUEHFYSICWBE-UHFFFAOYSA-N	-1	0	273.252	0.653	20	30		CCEDRM
CCn1ncc(Nc2[n-]c(=O)n(C)c(=O)c2C#N)c1C	ZINC001363739401	929536429	/nfs/dbraw/zinc/53/64/29/929536429.db2.gz	PHYXSNZXPDARNP-UHFFFAOYSA-N	-1	0	274.284	0.214	20	30		CCEDRM
C[C@H](Cc1cccnc1)Nc1[n-]c(=O)n(C)c(=O)c1C#N	ZINC001363751711	929544440	/nfs/dbraw/zinc/54/44/40/929544440.db2.gz	WDDWNTIGIUCLFZ-SECBINFHSA-N	-1	0	285.307	0.383	20	30		CCEDRM
N#Cc1c[n-]c(=O)n(CC[C@H](O)c2ccccc2)c1=O	ZINC001363762004	929554087	/nfs/dbraw/zinc/55/40/87/929554087.db2.gz	PCTBWCQNLWLHLT-LBPRGKRZSA-N	-1	0	271.276	0.532	20	30		CCEDRM
C#CCO[C@H](C)C(=O)NC(CC)(CC)c1nnn[n-]1	ZINC001449020652	931051889	/nfs/dbraw/zinc/05/18/89/931051889.db2.gz	HBLFQTOVIXFOAF-SECBINFHSA-N	-1	0	265.317	0.370	20	30		CCEDRM
CN(CC(C)(C)C#N)C(=O)[C@H]1CC(C(=O)[O-])=NO1	ZINC001610916181	970786527	/nfs/dbraw/zinc/78/65/27/970786527.db2.gz	NVYIWUGHIQMCGW-MRVPVSSYSA-N	-1	0	253.258	0.224	20	30		CCEDRM
N#Cc1cc(C(=O)OCC(=O)NCC(=O)[O-])ccc1F	ZINC001601087202	970929883	/nfs/dbraw/zinc/92/98/83/970929883.db2.gz	HIPLZDPFZOJLNI-UHFFFAOYSA-N	-1	0	280.211	0.055	20	30		CCEDRM
C#C[C@H]1CCCCN1C(=O)C(=O)N(C)C[C@H](C)C(=O)[O-]	ZINC001602671855	971235297	/nfs/dbraw/zinc/23/52/97/971235297.db2.gz	HCYONNXBXLQODU-QWRGUYRKSA-N	-1	0	280.324	0.180	20	30		CCEDRM
C#C[C@H](Cc1ccccc1)OC(=O)COCC(=O)[O-]	ZINC001602673525	971240552	/nfs/dbraw/zinc/24/05/52/971240552.db2.gz	WITOGAUNGBNHIL-GFCCVEGCSA-N	-1	0	262.261	0.875	20	30		CCEDRM
C#C[C@@H]1CCCN(C(=O)C(=O)NCC2(C(=O)[O-])CCC2)C1	ZINC001602674924	971243551	/nfs/dbraw/zinc/24/35/51/971243551.db2.gz	FSFQLBKNIMIUOT-LLVKDONJSA-N	-1	0	292.335	0.229	20	30		CCEDRM
C#CC[C@H](CCOC)NC(=O)[C@@H]1CO[C@@H](CCC(=O)[O-])C1	ZINC001602675546	971250552	/nfs/dbraw/zinc/25/05/52/971250552.db2.gz	ZDDCJYCBUQLUSA-XQQFMLRXSA-N	-1	0	297.351	0.801	20	30		CCEDRM
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C#CCN(CC(=O)[O-])C(=O)C(=O)c1ccc(C)cc1	ZINC001602678781	971257243	/nfs/dbraw/zinc/25/72/43/971257243.db2.gz	GDFFZEGPJKPSSK-UHFFFAOYSA-N	-1	0	259.261	0.724	20	30		CCEDRM
C#CCN(CC(=O)[O-])C(=O)[C@H](C)Oc1cccc(CO)c1	ZINC001602679529	971260240	/nfs/dbraw/zinc/26/02/40/971260240.db2.gz	RSYCIXNLKRIJFW-NSHDSACASA-N	-1	0	291.303	0.493	20	30		CCEDRM
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C#CCN(CC(=O)[O-])C(=O)NCC(C)(C)C[C@@H](C)O	ZINC001602683603	971274242	/nfs/dbraw/zinc/27/42/42/971274242.db2.gz	HCOMUPLUCSESPN-SNVBAGLBSA-N	-1	0	270.329	0.513	20	30		CCEDRM
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C#CCN(CC(=O)[O-])C(=O)c1ccc(C#N)c(Cl)n1	ZINC001602691754	971298891	/nfs/dbraw/zinc/29/88/91/971298891.db2.gz	XJBKPAXOKGDKOY-UHFFFAOYSA-N	-1	0	277.667	0.767	20	30		CCEDRM
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C#CCN(CC(=O)[O-])Cc1cc(C(=O)OC)n(C)c1	ZINC001602695251	971304908	/nfs/dbraw/zinc/30/49/08/971304908.db2.gz	APRYMBOBELDRRB-UHFFFAOYSA-N	-1	0	264.281	0.332	20	30		CCEDRM
C#CCN(CC(=O)[O-])C(=O)c1c[nH]nc1-c1ccco1	ZINC001602692755	971305243	/nfs/dbraw/zinc/30/52/43/971305243.db2.gz	ZFPLWKGGZSOGEM-UHFFFAOYSA-N	-1	0	273.248	0.830	20	30		CCEDRM
C#CCN(CC(=O)[O-])[C@@H](C)C(=O)NCc1ccc(F)cc1	ZINC001602695425	971307441	/nfs/dbraw/zinc/30/74/41/971307441.db2.gz	FPCXISVZQUDYPZ-NSHDSACASA-N	-1	0	292.310	0.850	20	30		CCEDRM
C#CCN(CC(=O)[O-])c1nnnn1C[C@@H]1CCC[C@@H](C)O1	ZINC001602700835	971322695	/nfs/dbraw/zinc/32/26/95/971322695.db2.gz	LICGGUVUJVKSEM-MNOVXSKESA-N	-1	0	293.327	0.155	20	30		CCEDRM
C#CCN(CC(=O)[O-])c1nnc([C@@H]2CC=NO2)n1CC=C	ZINC001602701071	971326271	/nfs/dbraw/zinc/32/62/71/971326271.db2.gz	USQKNEFOHHAGSP-JTQLQIEISA-N	-1	0	289.295	0.436	20	30		CCEDRM
C=C(C)C[C@H](C)C(=O)N1CCS(=O)(=O)C[C@@H]1C(=O)[O-]	ZINC001602706836	971339539	/nfs/dbraw/zinc/33/95/39/971339539.db2.gz	BSTMGBRIYAJMHZ-VHSXEESVSA-N	-1	0	289.353	0.299	20	30		CCEDRM
C=CCN(CC=C)C(=O)C(=O)N1CCC[C@H](CC(=O)[O-])C1	ZINC001602722832	971390324	/nfs/dbraw/zinc/39/03/24/971390324.db2.gz	SUZQGBSWWIQZCT-GFCCVEGCSA-N	-1	0	294.351	0.900	20	30		CCEDRM
CC#CC[C@H](CO)NC(=O)[C@H]1CO[C@@H](CCC(=O)[O-])C1	ZINC001602735262	971417900	/nfs/dbraw/zinc/41/79/00/971417900.db2.gz	WSTLSFPWPXNJEA-UTUOFQBUSA-N	-1	0	283.324	0.147	20	30		CCEDRM
CC#CC[C@@H](CO)NC(=O)C1(C(=O)[O-])CCCCC1	ZINC001602735210	971417955	/nfs/dbraw/zinc/41/79/55/971417955.db2.gz	VRDOCOXDYDRALB-NSHDSACASA-N	-1	0	267.325	0.912	20	30		CCEDRM
CC#CCN(C)C(=O)C(=O)Nc1ccccc1CC(=O)[O-]	ZINC001602735359	971419122	/nfs/dbraw/zinc/41/91/22/971419122.db2.gz	ZFMSGZISQUULJJ-UHFFFAOYSA-N	-1	0	288.303	0.734	20	30		CCEDRM
CC[C@H](CC#N)NS(=O)(=O)N1CCC(C(=O)[O-])CC1	ZINC000054176972	948929224	/nfs/dbraw/zinc/92/92/24/948929224.db2.gz	IBCJXHLZXPTULI-SNVBAGLBSA-N	-1	0	289.357	0.310	20	30		CCEDRM
C#CCN(CC(=O)[O-])[C@@H](C)C(=O)NCCC(C)C	ZINC000092482336	949155354	/nfs/dbraw/zinc/15/53/54/949155354.db2.gz	HHZJSHMCPNAETK-NSHDSACASA-N	-1	0	254.330	0.557	20	30		CCEDRM
CC(C)(C(=O)[O-])C(=O)N1CCN(C2CC2)[C@@H](C#N)C1	ZINC001602832488	971659827	/nfs/dbraw/zinc/65/98/27/971659827.db2.gz	QIUJQDBXZKSIIZ-JTQLQIEISA-N	-1	0	265.313	0.296	20	30		CCEDRM
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C[C@@H]1C[C@H](NC(=O)[C@@](C)(C#N)CC(=O)[O-])[C@@H](C)O1	ZINC001589289341	953587521	/nfs/dbraw/zinc/58/75/21/953587521.db2.gz	IOPZQVSXMQGNNI-KZFFXBSXSA-N	-1	0	254.286	0.673	20	30		CCEDRM
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C[C@@H]1CN(C(=O)NCCCCC(=O)[O-])C[C@@H](C)N1CC#N	ZINC001589376718	954264457	/nfs/dbraw/zinc/26/44/57/954264457.db2.gz	RZYDMQQDRCREFM-VXGBXAGGSA-N	-1	0	296.371	0.869	20	30		CCEDRM
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CC[C@@H](C#N)N(C)C(=O)[C@H]1CCCN(CC(=O)[O-])C1=O	ZINC001589426955	954636476	/nfs/dbraw/zinc/63/64/76/954636476.db2.gz	ULTPQIVPJKVOBH-VHSXEESVSA-N	-1	0	281.312	0.070	20	30		CCEDRM
CC[C@](C)(C#N)C(=O)N[C@H]1CCCCN(CC(=O)[O-])C1=O	ZINC001589447915	954781891	/nfs/dbraw/zinc/78/18/91/954781891.db2.gz	RGSQBVCRUBVKRE-IINYFYTJSA-N	-1	0	295.339	0.508	20	30		CCEDRM
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COC(=O)CCN(CC(=O)[O-])C(=O)c1cc(C#N)cs1	ZINC001593839469	955342582	/nfs/dbraw/zinc/34/25/82/955342582.db2.gz	XNISCEUECQRWAI-UHFFFAOYSA-N	-1	0	296.304	0.710	20	30		CCEDRM
Cn1c(C#N)ccc1C(=O)Nc1cc(C(=O)[O-])n[nH]1	ZINC001594517671	955427560	/nfs/dbraw/zinc/42/75/60/955427560.db2.gz	HNLKVFPEXFLCCQ-UHFFFAOYSA-N	-1	0	259.225	0.570	20	30		CCEDRM
Cn1c(CCCC#N)nnc1N1CC[C@](C)(C(=O)[O-])C1	ZINC001594518567	955443213	/nfs/dbraw/zinc/44/32/13/955443213.db2.gz	IDRXGLXCXBPYFW-ZDUSSCGKSA-N	-1	0	277.328	0.962	20	30		CCEDRM
CC(C)NC(=O)NCCOC(=O)[C@](C)(C#N)CC(=O)[O-]	ZINC001603068696	972136535	/nfs/dbraw/zinc/13/65/35/972136535.db2.gz	WBBJFTPJEGLXOY-LBPRGKRZSA-N	-1	0	285.300	0.242	20	30		CCEDRM
Cn1ncc(C(=O)[O-])c1CNCc1nc(C#N)cs1	ZINC001594583723	955994035	/nfs/dbraw/zinc/99/40/35/955994035.db2.gz	YNYBFPXUFJSLQY-UHFFFAOYSA-N	-1	0	277.309	0.736	20	30		CCEDRM
Cn1nccc1[C@@H](NCc1cccc(C#N)n1)C(=O)[O-]	ZINC001594594670	956076003	/nfs/dbraw/zinc/07/60/03/956076003.db2.gz	GTOYCLBUKLJBEH-GFCCVEGCSA-N	-1	0	271.280	0.602	20	30		CCEDRM
N#CC1(NC(=O)[C@H]2CC(C(=O)[O-])=NO2)CCCCC1	ZINC001594602713	956151080	/nfs/dbraw/zinc/15/10/80/956151080.db2.gz	QVWWNSXMUSQUCB-SECBINFHSA-N	-1	0	265.269	0.559	20	30		CCEDRM
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N#CC1CN(C(=O)[C@H]2CO[C@H](CCC(=O)[O-])C2)C1	ZINC001594605645	956169625	/nfs/dbraw/zinc/16/96/25/956169625.db2.gz	IKFWTLZOCULLFS-NXEZZACHSA-N	-1	0	252.270	0.238	20	30		CCEDRM
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N#Cc1ccc(C(=O)N(CC(=O)[O-])C2CCOCC2)[nH]1	ZINC001594618027	956258569	/nfs/dbraw/zinc/25/85/69/956258569.db2.gz	YODMVYXNYBOVHS-UHFFFAOYSA-N	-1	0	277.280	0.592	20	30		CCEDRM
COC(OC)[C@H](C)NC(=O)[C@](C)(C#N)CC(=O)[O-]	ZINC001593944482	956315796	/nfs/dbraw/zinc/31/57/96/956315796.db2.gz	JKBDZBWAURWYPH-CPCISQLKSA-N	-1	0	258.274	0.115	20	30		CCEDRM
N#Cc1ccncc1C(=O)N1CCC[C@H](C(=O)[O-])C1	ZINC001594631918	956347738	/nfs/dbraw/zinc/34/77/38/956347738.db2.gz	RNHGIUTYNYENTL-JTQLQIEISA-N	-1	0	259.265	0.890	20	30		CCEDRM
COC[C@@H](C#N)OC(=O)[C@@H](C(=O)[O-])C1CCCC1	ZINC001593952707	956407349	/nfs/dbraw/zinc/40/73/49/956407349.db2.gz	BGMCAISRAQNAEZ-NXEZZACHSA-N	-1	0	255.270	0.959	20	30		CCEDRM
COC[C@H](NC(=O)[C@@](C)(C#N)CC(=O)[O-])C1CCOCC1	ZINC001593956521	956432999	/nfs/dbraw/zinc/43/29/99/956432999.db2.gz	APFZOKWZNFBZML-SMDDNHRTSA-N	-1	0	298.339	0.549	20	30		CCEDRM
C[C@@]1(C#N)CCCN(C(=O)C(=O)NCCCCC(=O)[O-])C1	ZINC001589182910	956542983	/nfs/dbraw/zinc/54/29/83/956542983.db2.gz	VAWCHYLNNCGZSI-AWEZNQCLSA-N	-1	0	295.339	0.510	20	30		CCEDRM
COC[C@]1(C(=O)[O-])CN(Cc2nc(C#N)cs2)CCO1	ZINC001593982693	956723663	/nfs/dbraw/zinc/72/36/63/956723663.db2.gz	CQIZWUQZEUZNIX-LBPRGKRZSA-N	-1	0	297.336	0.317	20	30		CCEDRM
COCCN(CCC(=O)[O-])C(=O)c1ccnc(C#N)c1	ZINC001594010519	956988995	/nfs/dbraw/zinc/98/89/95/956988995.db2.gz	OXZCEOAEUGDEOU-UHFFFAOYSA-N	-1	0	277.280	0.517	20	30		CCEDRM
C[C@@H](CNC(=O)[C@](C)(C#N)CC(=O)[O-])N1CCCCC1=O	ZINC001603166138	972262193	/nfs/dbraw/zinc/26/21/93/972262193.db2.gz	AQELJPMSSDVSAF-HZMBPMFUSA-N	-1	0	295.339	0.508	20	30		CCEDRM
N#CCCN(Cc1cccnc1)C(=O)COCC(=O)[O-]	ZINC000041063568	957383477	/nfs/dbraw/zinc/38/34/77/957383477.db2.gz	RURKMKVNQOQOSY-UHFFFAOYSA-N	-1	0	277.280	0.425	20	30		CCEDRM
C[C@H](CNC(=O)N1C[C@@H](C)N(CC#N)[C@H](C)C1)C(=O)[O-]	ZINC001603174811	972273133	/nfs/dbraw/zinc/27/31/33/972273133.db2.gz	XSHFGVHTAPWPKM-GMTAPVOTSA-N	-1	0	282.344	0.335	20	30		CCEDRM
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C#C[C@@H](NC(=O)NCCCC(=O)[O-])C1CCOCC1	ZINC001588386753	957981002	/nfs/dbraw/zinc/98/10/02/957981002.db2.gz	VKNTUEBTFFOIIS-LLVKDONJSA-N	-1	0	268.313	0.579	20	30		CCEDRM
C#C[C@@H](C)N(C)C(=O)C(=O)Nc1cccc(CC(=O)[O-])c1	ZINC001588387042	957983990	/nfs/dbraw/zinc/98/39/90/957983990.db2.gz	FHSSTSHGCNOXAA-SNVBAGLBSA-N	-1	0	288.303	0.732	20	30		CCEDRM
C#CC[C@@H](CCOC)NC(=O)C1(C(=O)[O-])CC=CC1	ZINC001588389409	958008466	/nfs/dbraw/zinc/00/84/66/958008466.db2.gz	UVHJPLNDDWAVCS-NSHDSACASA-N	-1	0	265.309	0.952	20	30		CCEDRM
C#CCCCOC(=O)c1cccn(CC(=O)[O-])c1=O	ZINC001588390803	958016229	/nfs/dbraw/zinc/01/62/29/958016229.db2.gz	JZHBDIDCWUSWOF-UHFFFAOYSA-N	-1	0	263.249	0.503	20	30		CCEDRM
C#CC[C@@H]1NC(=O)N(C[C@H](CC(C)C)C(=O)[O-])C1=O	ZINC001588391613	958024968	/nfs/dbraw/zinc/02/49/68/958024968.db2.gz	KBCNYYMAUQPGMG-UWVGGRQHSA-N	-1	0	266.297	0.677	20	30		CCEDRM
C#CCC[C@@H](O)CNC(=O)NC[C@@H](C(=O)[O-])C1CCC1	ZINC001588392382	958033020	/nfs/dbraw/zinc/03/30/20/958033020.db2.gz	YQPZHJDQRRGOBQ-VXGBXAGGSA-N	-1	0	282.340	0.561	20	30		CCEDRM
COc1cc(CNC(=O)COCC(=O)[O-])ccc1C#N	ZINC001594056997	958045667	/nfs/dbraw/zinc/04/56/67/958045667.db2.gz	JQXKFAIPMKKEHX-UHFFFAOYSA-N	-1	0	278.264	0.284	20	30		CCEDRM
C#CCN(CC(=O)[O-])C(=O)[C@@H]1c2c[nH]nc2CC[C@@H]1C	ZINC001588400194	958078887	/nfs/dbraw/zinc/07/88/87/958078887.db2.gz	SNFBFVFVHMTAKT-ZANVPECISA-N	-1	0	275.308	0.622	20	30		CCEDRM
C#CCN(CC(=O)[O-])C(=O)CNC(=O)CCC1CCCC1	ZINC001588401869	958085336	/nfs/dbraw/zinc/08/53/36/958085336.db2.gz	GBQZMBGVHILINU-UHFFFAOYSA-N	-1	0	294.351	0.619	20	30		CCEDRM
C#CCN(CC(=O)[O-])C(=O)Cc1ccc(O)c(OC)c1	ZINC001588406661	958095234	/nfs/dbraw/zinc/09/52/34/958095234.db2.gz	BYWJRHUBBQVULV-UHFFFAOYSA-N	-1	0	277.276	0.490	20	30		CCEDRM
C#CCN(CC(=O)[O-])C(=O)Cc1cn2cc(F)ccc2n1	ZINC001588407077	958098400	/nfs/dbraw/zinc/09/84/00/958098400.db2.gz	GZTQEOYMQMNPCD-UHFFFAOYSA-N	-1	0	289.266	0.562	20	30		CCEDRM
C#CCN(CC(=O)[O-])C(=O)NCC1(CCOC)CCC1	ZINC001588408456	958111270	/nfs/dbraw/zinc/11/12/70/958111270.db2.gz	NWBHPKNGYVFTJR-UHFFFAOYSA-N	-1	0	282.340	0.923	20	30		CCEDRM
C#CCN(CC(=O)[O-])C(=O)NCCc1cncc(C)n1	ZINC001588408758	958116632	/nfs/dbraw/zinc/11/66/32/958116632.db2.gz	CPPVTFPPZDTAJG-UHFFFAOYSA-N	-1	0	276.296	0.057	20	30		CCEDRM
C#CCN(CC(=O)[O-])C(=O)N[C@@H]1C[C@](C)(OC)C1(C)C	ZINC001588410598	958140226	/nfs/dbraw/zinc/14/02/26/958140226.db2.gz	XMZHVTWRIGJRSI-YGRLFVJLSA-N	-1	0	282.340	0.919	20	30		CCEDRM
C#CCN(CC(=O)[O-])C(=O)c1ccn2c(C)cnc2c1	ZINC001588418641	958182193	/nfs/dbraw/zinc/18/21/93/958182193.db2.gz	ARWOOJVQNYJWSP-UHFFFAOYSA-N	-1	0	271.276	0.803	20	30		CCEDRM
C#CCN(CC(=O)[O-])C(=O)c1cnc(C(F)(F)F)nc1	ZINC001588418601	958182238	/nfs/dbraw/zinc/18/22/38/958182238.db2.gz	NQDSGEDUCZVUHT-UHFFFAOYSA-N	-1	0	287.197	0.655	20	30		CCEDRM
C#CCN(CC(=O)[O-])Cc1cccc(C(=O)OCC)n1	ZINC001588423935	958211685	/nfs/dbraw/zinc/21/16/85/958211685.db2.gz	HHLRRNXUPXYBSO-UHFFFAOYSA-N	-1	0	276.292	0.778	20	30		CCEDRM
C#CCN(CC(=O)[O-])Cc1ccc(C(=O)OC)cn1	ZINC001588424539	958217064	/nfs/dbraw/zinc/21/70/64/958217064.db2.gz	RTYRZVFKAMXXBQ-UHFFFAOYSA-N	-1	0	262.265	0.388	20	30		CCEDRM
C#CCN(CC(=O)[O-])Cc1cnc(N2CCCC2)nc1	ZINC001588425137	958223153	/nfs/dbraw/zinc/22/31/53/958223153.db2.gz	FQWMWIFDDXGIBT-UHFFFAOYSA-N	-1	0	274.324	0.597	20	30		CCEDRM
C#CCN(CC(=O)[O-])c1nnc([C@@]2(C)CCCO2)n1CC	ZINC001588426938	958236676	/nfs/dbraw/zinc/23/66/76/958236676.db2.gz	HMMIZYRIFQHZKJ-CQSZACIVSA-N	-1	0	292.339	0.848	20	30		CCEDRM
C#CCN(CC(=O)[O-])c1nnc([C@H](O)C2CC2)n1CC	ZINC001588427126	958239398	/nfs/dbraw/zinc/23/93/98/958239398.db2.gz	NBIHHAIIJAPHCJ-LLVKDONJSA-N	-1	0	278.312	0.266	20	30		CCEDRM
C#CCN(CC(=O)[O-])c1nnc([C@H](O)/C=C/CC)n1CC	ZINC001588427108	958240215	/nfs/dbraw/zinc/24/02/15/958240215.db2.gz	MJLFRUJFSMLQTI-WSKFYRRCSA-N	-1	0	292.339	0.822	20	30		CCEDRM
C#CCNC(=O)Nc1ccn(C(C)(C)C(=O)[O-])n1	ZINC001588431410	958269249	/nfs/dbraw/zinc/26/92/49/958269249.db2.gz	YFXNZNCIKOGEBZ-UHFFFAOYSA-N	-1	0	250.258	0.458	20	30		CCEDRM
C#CCOc1ccccc1CNC(=O)[C@](C)(OC)C(=O)[O-]	ZINC001588433364	958295671	/nfs/dbraw/zinc/29/56/71/958295671.db2.gz	KHSSNUOZUPLUCZ-HNNXBMFYSA-N	-1	0	291.303	0.805	20	30		CCEDRM
Cc1ccc(C#N)cc1NC(=O)C(=O)N[C@H](C)CC(=O)[O-]	ZINC001594342569	958304474	/nfs/dbraw/zinc/30/44/74/958304474.db2.gz	FSBISVWUBWLSGK-SECBINFHSA-N	-1	0	289.291	0.785	20	30		CCEDRM
C#Cc1ccc(S(=O)(=O)N2CC[C@H](C(=O)[O-])C2)cc1	ZINC001588438905	958306099	/nfs/dbraw/zinc/30/60/99/958306099.db2.gz	IYTLHVPNLLSFOD-NSHDSACASA-N	-1	0	279.317	0.763	20	30		CCEDRM
N#Cc1ccc(CSCC(=O)N[C@H](CO)C(=O)[O-])cc1	ZINC000096753546	958340342	/nfs/dbraw/zinc/34/03/42/958340342.db2.gz	UYFFAXSPIPHLMP-LLVKDONJSA-N	-1	0	294.332	0.353	20	30		CCEDRM
C=C(C)C[C@@H](C)C(=O)O[C@@H]1CCN(CC(=O)[O-])C1=O	ZINC001588442464	958345065	/nfs/dbraw/zinc/34/50/65/958345065.db2.gz	QXHFOPYJFFYVOI-NXEZZACHSA-N	-1	0	269.297	0.817	20	30		CCEDRM
C=C(C)[C@@H]1OCC[C@@H]1C(=O)O[C@H]1CCN(CC(=O)[O-])C1=O	ZINC001588444613	958362925	/nfs/dbraw/zinc/36/29/25/958362925.db2.gz	KPBQBUUHEDGKRV-NHCYSSNCSA-N	-1	0	297.307	0.196	20	30		CCEDRM
C=C(C)Cn1nnnc1N1CCC[C@@H](CC(=O)[O-])C1	ZINC001588444856	958367434	/nfs/dbraw/zinc/36/74/34/958367434.db2.gz	VORKRKAHCNCUKM-JTQLQIEISA-N	-1	0	265.317	0.940	20	30		CCEDRM
C=C[C@@](C)(O)CC(=O)NC[C@H]1CCC2(CC(C(=O)[O-])C2)O1	ZINC001588450940	958401572	/nfs/dbraw/zinc/40/15/72/958401572.db2.gz	IFNWYCMPPMTFDD-YCKOLBRVSA-N	-1	0	297.351	0.842	20	30		CCEDRM
C=C[C@H]1CCCCN1C(=O)[C@H]1CC(C(=O)[O-])=NO1	ZINC001588451977	958417214	/nfs/dbraw/zinc/41/72/14/958417214.db2.gz	GOGOTZFLKUNVCU-WCBMZHEXSA-N	-1	0	252.270	0.783	20	30		CCEDRM
C=CCC(F)(F)C(=O)N1CCO[C@@](COC)(C(=O)[O-])C1	ZINC001588452723	958427243	/nfs/dbraw/zinc/42/72/43/958427243.db2.gz	IKTWNAKYQAVPCH-NSHDSACASA-N	-1	0	293.266	0.526	20	30		CCEDRM
C=CC[C@@H]1NC(=O)N(CC2(C(=O)[O-])CCC2)C1=O	ZINC001588456999	958440945	/nfs/dbraw/zinc/44/09/45/958440945.db2.gz	FOBLYMWYNNUQGW-QMMMGPOBSA-N	-1	0	252.270	0.738	20	30		CCEDRM
C=CCC[C@@H](CO)NC(=O)[C@@](C)(C#N)CC(=O)[O-]	ZINC001588457238	958445960	/nfs/dbraw/zinc/44/59/60/958445960.db2.gz	RDGWPYQQSJBJKU-JOYOIKCWSA-N	-1	0	254.286	0.434	20	30		CCEDRM
C=CCN(C)C(=O)C(=O)NC1CCC(C(=O)[O-])CC1	ZINC001588463415	958484694	/nfs/dbraw/zinc/48/46/94/958484694.db2.gz	QIZSJMBXIXBOBB-UHFFFAOYSA-N	-1	0	268.313	0.390	20	30		CCEDRM
C=CCN(CCc1ccco1)C(=O)[C@H](OC)C(=O)[O-]	ZINC001588464546	958493249	/nfs/dbraw/zinc/49/32/49/958493249.db2.gz	ZSZUTJLCOZHCHJ-NSHDSACASA-N	-1	0	267.281	0.936	20	30		CCEDRM
C#CCN(CCOc1cccc(C(=O)OC)c1)CC(=O)[O-]	ZINC001573328085	958494634	/nfs/dbraw/zinc/49/46/34/958494634.db2.gz	ZYBABPQADQEYIT-UHFFFAOYSA-N	-1	0	291.303	0.872	20	30		CCEDRM
C=CCNC(=O)[C@H](C)OC(=O)[C@]1(C(=O)[O-])C[C@H]1C	ZINC001588465507	958504702	/nfs/dbraw/zinc/50/47/02/958504702.db2.gz	OCPMSNXYKDLAKA-RGNHYFCHSA-N	-1	0	255.270	0.331	20	30		CCEDRM
CC#CCN(C)C(=O)[C@H]1CO[C@H](CCC(=O)[O-])C1	ZINC001588478538	958568097	/nfs/dbraw/zinc/56/80/97/958568097.db2.gz	FQZXSHMVKTVPNZ-GHMZBOCLSA-N	-1	0	253.298	0.738	20	30		CCEDRM
CC#CCN(C)C(=O)[C@@H]1CO[C@H](CCC(=O)[O-])C1	ZINC001588478541	958568469	/nfs/dbraw/zinc/56/84/69/958568469.db2.gz	FQZXSHMVKTVPNZ-WDEREUQCSA-N	-1	0	253.298	0.738	20	30		CCEDRM
CC#CCN(C)C(=O)C(=O)Nc1cncc(C(=O)[O-])c1	ZINC001588478870	958573424	/nfs/dbraw/zinc/57/34/24/958573424.db2.gz	NXKKUKJZGHLWQA-UHFFFAOYSA-N	-1	0	275.264	0.200	20	30		CCEDRM
CC#CCCCC(=O)N1C[C@H]2COC[C@@]2(C(=O)[O-])C1	ZINC001588479068	958577787	/nfs/dbraw/zinc/57/77/87/958577787.db2.gz	VYEXTOCKHADZDF-FZMZJTMJSA-N	-1	0	265.309	0.740	20	30		CCEDRM
C[C@@](C#N)(CC(=O)[O-])C(=O)N[C@@H]1CCCC(F)(F)[C@H]1O	ZINC001573363660	958607763	/nfs/dbraw/zinc/60/77/63/958607763.db2.gz	KWCRKUYXABXWCU-HDBBIHSSSA-N	-1	0	290.266	0.656	20	30		CCEDRM
C[C@](C#N)(CC(=O)[O-])C(=O)N[C@H]1CCn2ccnc21	ZINC001573365120	958619351	/nfs/dbraw/zinc/61/93/51/958619351.db2.gz	SCHJEGDMURRPIC-QPUJVOFHSA-N	-1	0	262.269	0.449	20	30		CCEDRM
O=C([O-])C[C@H]1COCCN1C(=O)C#Cc1ccccc1	ZINC000129370232	958699605	/nfs/dbraw/zinc/69/96/05/958699605.db2.gz	BZJOAQGXPBOSQW-ZDUSSCGKSA-N	-1	0	273.288	0.740	20	30		CCEDRM
Cc1cccc([C@H](NC(=O)Cn2cnc(C#N)n2)C(=O)[O-])c1	ZINC001594395465	958766002	/nfs/dbraw/zinc/76/60/02/958766002.db2.gz	ANAHVDJDVLZSQQ-ZDUSSCGKSA-N	-1	0	299.290	0.400	20	30		CCEDRM
N#Cc1cc(F)ccc1CN1C[C@@H](O)C[C@@H]1C(=O)[O-]	ZINC000132258898	958781675	/nfs/dbraw/zinc/78/16/75/958781675.db2.gz	GTMSKLXRKIYUEA-NWDGAFQWSA-N	-1	0	264.256	0.717	20	30		CCEDRM
C[C@H](C#N)CN(C)S(=O)(=O)c1scnc1C(=O)[O-]	ZINC000134689386	958852353	/nfs/dbraw/zinc/85/23/53/958852353.db2.gz	FOAHMBSJYUZTLP-ZCFIWIBFSA-N	-1	0	289.338	0.621	20	30		CCEDRM
CC(=O)c1cc(COC(=O)[C@](C)(C#N)CC(=O)[O-])on1	ZINC001588528017	958878140	/nfs/dbraw/zinc/87/81/40/958878140.db2.gz	LJDJWFKJWFTVRT-LBPRGKRZSA-N	-1	0	280.236	0.925	20	30		CCEDRM
C[C@](C#N)(CC(=O)[O-])C(=O)N1CC[C@H](Cn2ccnn2)C1	ZINC001588534862	958925518	/nfs/dbraw/zinc/92/55/18/958925518.db2.gz	KFUOUUOWPZLJBN-GXFFZTMASA-N	-1	0	291.311	0.131	20	30		CCEDRM
C[C@](C#N)(CC(=O)[O-])C(=O)N1CCC2(CNC(=O)O2)CC1	ZINC001588535055	958926485	/nfs/dbraw/zinc/92/64/85/958926485.db2.gz	MCPBBZCWAUBCIO-GFCCVEGCSA-N	-1	0	295.295	0.092	20	30		CCEDRM
C[C@](C#N)(CC(=O)[O-])C(=O)N1CC[C@@H](N2CCCC2=O)C1	ZINC001588534976	958926651	/nfs/dbraw/zinc/92/66/51/958926651.db2.gz	LKJAMSCHKSYJBH-QMTHXVAHSA-N	-1	0	293.323	0.214	20	30		CCEDRM
C[C@](C#N)(CC(=O)[O-])C(=O)N1CCc2cc[nH]c(=O)c2C1	ZINC001588537955	958937360	/nfs/dbraw/zinc/93/73/60/958937360.db2.gz	ANSAWNMSAXHEEE-CQSZACIVSA-N	-1	0	289.291	0.676	20	30		CCEDRM
C[C@@](C#N)(CC(=O)[O-])C(=O)N[C@H](CO)CC(F)F	ZINC001588538535	958942737	/nfs/dbraw/zinc/94/27/37/958942737.db2.gz	KCXIYALKVZXFJJ-WKEGUHRASA-N	-1	0	264.228	0.123	20	30		CCEDRM
C[C@@](C#N)(CC(=O)[O-])C(=O)N[C@H](CO)C1CCC1	ZINC001588538735	958944202	/nfs/dbraw/zinc/94/42/02/958944202.db2.gz	NDRKIJMZSPTONH-SKDRFNHKSA-N	-1	0	254.286	0.268	20	30		CCEDRM
CC(C)[C@@H](NC(=O)CNc1ccc(C#N)cn1)C(=O)[O-]	ZINC001573552753	959240062	/nfs/dbraw/zinc/24/00/62/959240062.db2.gz	DPXZVEPRKGBQEO-GFCCVEGCSA-N	-1	0	276.296	0.591	20	30		CCEDRM
C[C@@H](C(=O)[O-])C(=O)OCCOC1(C#N)CCOCC1	ZINC001588580440	959252239	/nfs/dbraw/zinc/25/22/39/959252239.db2.gz	OWBIXDDZJPHDLC-VIFPVBQESA-N	-1	0	271.269	0.340	20	30		CCEDRM
C[C@H](CC#N)N(C)S(=O)(=O)N1[C@H](C)CC[C@@H]1C(=O)[O-]	ZINC001573577312	959334487	/nfs/dbraw/zinc/33/44/87/959334487.db2.gz	UEOSVIQBSWWPIF-OPRDCNLKSA-N	-1	0	289.357	0.403	20	30		CCEDRM
Cc1nnc([C@@H]2CCN(C(=O)[C@@](C)(C#N)CC(=O)[O-])C2)[nH]1	ZINC001594452037	959383137	/nfs/dbraw/zinc/38/31/37/959383137.db2.gz	UGSZEAGBCIQWOL-NOZJJQNGSA-N	-1	0	291.311	0.434	20	30		CCEDRM
C[C@H](NC(=O)[C@H](C#N)Cc1ccc(C#N)cc1)C(=O)[O-]	ZINC001594232957	959483841	/nfs/dbraw/zinc/48/38/41/959483841.db2.gz	JRUXQODFLWSFHF-CABZTGNLSA-N	-1	0	271.276	0.830	20	30		CCEDRM
C[C@H](NC(=O)[C@](C)(C#N)CC(=O)[O-])c1csnn1	ZINC001573611760	959487154	/nfs/dbraw/zinc/48/71/54/959487154.db2.gz	ZTTRFSRVECJCQA-WKEGUHRASA-N	-1	0	268.298	0.720	20	30		CCEDRM
COc1cc(C(=O)[O-])ccc1S(=O)(=O)N[C@H](C)CC#N	ZINC000223702911	959839605	/nfs/dbraw/zinc/83/96/05/959839605.db2.gz	QCCQGGAYPDKAIR-MRVPVSSYSA-N	-1	0	298.320	0.974	20	30		CCEDRM
N#C[C@H]1CN(C(=O)c2cc(C(=O)[O-])co2)CCO1	ZINC000228149786	959993192	/nfs/dbraw/zinc/99/31/92/959993192.db2.gz	QXRDNUWGRUMHBL-QMMMGPOBSA-N	-1	0	250.210	0.342	20	30		CCEDRM
N#Cc1cc(Cn2nc(C(=O)[O-])ccc2=O)ccn1	ZINC000229618320	960086880	/nfs/dbraw/zinc/08/68/80/960086880.db2.gz	DDGGVGKBQRMCOG-UHFFFAOYSA-N	-1	0	256.221	0.256	20	30		CCEDRM
COc1ncc(NC(=O)NCC(=O)[O-])cc1C#N	ZINC001574244734	960485628	/nfs/dbraw/zinc/48/56/28/960485628.db2.gz	SXIOUHDWRFEJKU-UHFFFAOYSA-N	-1	0	250.214	0.168	20	30		CCEDRM
COc1ncc(NC(=O)N(C)CCC(=O)[O-])cc1C#N	ZINC001574244793	960487110	/nfs/dbraw/zinc/48/71/10/960487110.db2.gz	VXRCTCFLSBYJQE-UHFFFAOYSA-N	-1	0	278.268	0.900	20	30		CCEDRM
CC[C@H](C#N)C(=O)Nc1nc2n(c1C(=O)[O-])CCOC2	ZINC001573758216	960581638	/nfs/dbraw/zinc/58/16/38/960581638.db2.gz	HDCVTMMNRXGAIZ-SSDOTTSWSA-N	-1	0	278.268	0.600	20	30		CCEDRM
N#Cc1ccc(C(=O)NC[C@H]2CCO[C@H]2C(=O)[O-])c(F)c1	ZINC001571042230	960594264	/nfs/dbraw/zinc/59/42/64/960594264.db2.gz	FJIVPHCVNPDWRK-BXKDBHETSA-N	-1	0	292.266	0.917	20	30		CCEDRM
C[C@@H]1CN(C(=O)[C@@](C)(C#N)CC(=O)[O-])C[C@@H](C)C1=O	ZINC001574274970	960627845	/nfs/dbraw/zinc/62/78/45/960627845.db2.gz	COPPAZORVKSYNC-JRKPZEMJSA-N	-1	0	266.297	0.674	20	30		CCEDRM
CCOc1nc(C(=O)N2CCC(C#N)(C(=O)[O-])CC2)co1	ZINC001571046740	960639719	/nfs/dbraw/zinc/63/97/19/960639719.db2.gz	QMIPNVNYZRFSGT-UHFFFAOYSA-N	-1	0	293.279	0.904	20	30		CCEDRM
N#CC1(CNC(=O)NC2CC(CC(=O)[O-])C2)CCOCC1	ZINC001571055899	960727520	/nfs/dbraw/zinc/72/75/20/960727520.db2.gz	LBVMTNYWSQKWGF-UHFFFAOYSA-N	-1	0	295.339	0.859	20	30		CCEDRM
N#CC1(C(=O)NC[C@H]2CCO[C@H]2C(=O)[O-])CCSCC1	ZINC001571067145	960846271	/nfs/dbraw/zinc/84/62/71/960846271.db2.gz	QKGQMVIJXFUINY-NXEZZACHSA-N	-1	0	298.364	0.629	20	30		CCEDRM
CCC[C@@H](CCO)CNC(=O)[C@](C)(C#N)CC(=O)[O-]	ZINC001573836399	961056713	/nfs/dbraw/zinc/05/67/13/961056713.db2.gz	SJKKQXRDHZODJS-GWCFXTLKSA-N	-1	0	270.329	0.906	20	30		CCEDRM
CCN(C[C@@H](C)C#N)C(=O)CN1[C@H](C)CC[C@@H]1C(=O)[O-]	ZINC001573874977	961237528	/nfs/dbraw/zinc/23/75/28/961237528.db2.gz	AKZKWIWFEZORTE-QJPTWQEYSA-N	-1	0	281.356	0.932	20	30		CCEDRM
Cc1nc([C@@H]2CCN(C(=O)[C@@](C)(C#N)CC(=O)[O-])C2)no1	ZINC001574417957	961336107	/nfs/dbraw/zinc/33/61/07/961336107.db2.gz	ZIRNQMXZXRHHDY-NOZJJQNGSA-N	-1	0	292.295	0.699	20	30		CCEDRM
CC(C)[C@@H](C#N)N1CCN(C(=O)C(C)(C)C(=O)[O-])CC1	ZINC001588801881	961429628	/nfs/dbraw/zinc/42/96/28/961429628.db2.gz	NPFLPISOPLBOTH-LLVKDONJSA-N	-1	0	281.356	0.790	20	30		CCEDRM
CC(C)[C@](C)(C#N)NC(=O)COC(=O)C1(C(=O)[O-])CCC1	ZINC001588813111	961537126	/nfs/dbraw/zinc/53/71/26/961537126.db2.gz	ULKMLVDQRFIHCT-ZDUSSCGKSA-N	-1	0	296.323	0.839	20	30		CCEDRM
CC(C)[C@@H](CNC(=O)C1(C#N)CCOCC1)C(=O)[O-]	ZINC001588817096	961601143	/nfs/dbraw/zinc/60/11/43/961601143.db2.gz	VTSUIOAPMQCOBZ-SNVBAGLBSA-N	-1	0	268.313	0.780	20	30		CCEDRM
N#CC[C@]1(O)CCN(C(=O)N[C@H]2CC[C@@H](C(=O)[O-])C2)C1	ZINC001574480321	961660799	/nfs/dbraw/zinc/66/07/99/961660799.db2.gz	FIODHTVLGQPQRW-NRUUGDAUSA-N	-1	0	281.312	0.300	20	30		CCEDRM
N#Cc1ccc(F)cc1N1CCO[C@H](C(=O)[O-])C1	ZINC001574487939	961692394	/nfs/dbraw/zinc/69/23/94/961692394.db2.gz	KOYZRGFAUXODDR-NSHDSACASA-N	-1	0	250.229	0.987	20	30		CCEDRM
N#Cc1ccc2c(c1)CC[C@H]2NC(=O)[C@@H]1CC(C(=O)[O-])=NO1	ZINC001574489766	961707095	/nfs/dbraw/zinc/70/70/95/961707095.db2.gz	OKRQSZKBMWWOBP-YPMHNXCESA-N	-1	0	299.286	0.891	20	30		CCEDRM
N#Cc1cccc([C@H](O)CN2CCOC[C@H]2C(=O)[O-])c1	ZINC001574490064	961710644	/nfs/dbraw/zinc/71/06/44/961710644.db2.gz	TWZJBNWYLCXQHD-QWHCGFSZSA-N	-1	0	276.292	0.377	20	30		CCEDRM
CN(C(=O)c1cc(C(=O)[O-])nn1C)c1cc(C#N)ccn1	ZINC001573979558	961755496	/nfs/dbraw/zinc/75/54/96/961755496.db2.gz	JESWDWSEUIGDCT-UHFFFAOYSA-N	-1	0	285.263	0.662	20	30		CCEDRM
CC(C)C1(O)CN(C(=O)[C@@](C)(C#N)CC(=O)[O-])C1	ZINC001588839074	961781569	/nfs/dbraw/zinc/78/15/69/961781569.db2.gz	RCPIHNINIOXGLH-LLVKDONJSA-N	-1	0	254.286	0.220	20	30		CCEDRM
C#CC[C@@H](NC(=O)Cc1cc(F)ccc1O)C(=O)[O-]	ZINC001573301843	962638394	/nfs/dbraw/zinc/63/83/94/962638394.db2.gz	GCJXTQAFTCFURI-SNVBAGLBSA-N	-1	0	265.240	0.667	20	30		CCEDRM
C#CC[C@H](NC(=O)C(=O)c1ccc(F)cc1)C(=O)[O-]	ZINC001573302930	962666504	/nfs/dbraw/zinc/66/65/04/962666504.db2.gz	SCSRDMJIVNOYOU-JTQLQIEISA-N	-1	0	263.224	0.601	20	30		CCEDRM
C#CCC[C@@H](O)CNC(=O)Nc1cc(C(=O)[O-])nn1C	ZINC001573302949	962666841	/nfs/dbraw/zinc/66/68/41/962666841.db2.gz	IBSXYMGWWBVTBH-MRVPVSSYSA-N	-1	0	280.284	0.014	20	30		CCEDRM
C#CC[C@H](NC(=O)c1cc(-n2ccnc2)ccc1O)C(=O)[O-]	ZINC001573303474	962677552	/nfs/dbraw/zinc/67/75/52/962677552.db2.gz	ONCVTWPRBHUXER-LBPRGKRZSA-N	-1	0	299.286	0.784	20	30		CCEDRM
C#Cc1cncc(C(=O)Nc2ccnc(C(=O)[O-])n2)c1	ZINC001573313655	962734652	/nfs/dbraw/zinc/73/46/52/962734652.db2.gz	OFLURAHUKLJZRX-UHFFFAOYSA-N	-1	0	268.232	0.803	20	30		CCEDRM
C[C@@H](CC#N)C(=O)OCC1(C(=O)[O-])CCOCC1	ZINC001588987783	962764913	/nfs/dbraw/zinc/76/49/13/962764913.db2.gz	GAWJIUTXWBPWTR-VIFPVBQESA-N	-1	0	255.270	0.961	20	30		CCEDRM
C=C(C)C[C@@H](NC(=O)c1cc(C(=O)[O-])no1)C(=O)OC	ZINC001573322335	962767512	/nfs/dbraw/zinc/76/75/12/962767512.db2.gz	XEKBPYSEBSCVBJ-MRVPVSSYSA-N	-1	0	282.252	0.610	20	30		CCEDRM
C=C(C)CCC(=O)N[C@H](C)CN(C)C(=O)CNC(=O)[O-]	ZINC001573324204	962781522	/nfs/dbraw/zinc/78/15/22/962781522.db2.gz	OUONISZPMSMOMD-SNVBAGLBSA-N	-1	0	285.344	0.573	20	30		CCEDRM
C=C(C)CCC(=O)N[C@@H](C)CNc1ccnc(C(=O)[O-])n1	ZINC001573324370	962783836	/nfs/dbraw/zinc/78/38/36/962783836.db2.gz	RBYURIDMBFBHQH-JTQLQIEISA-N	-1	0	292.339	0.870	20	30		CCEDRM
C=C(CCC(=O)[O-])C(=O)N[C@@H]1CCN(CC)C1=O	ZINC001573333063	962850127	/nfs/dbraw/zinc/85/01/27/962850127.db2.gz	TWTMIIHETFIQPZ-SECBINFHSA-N	-1	0	254.286	0.144	20	30		CCEDRM
C=C(Cl)CN1CCCN(C(=O)[C@@H]2C[C@@H]2C(=O)[O-])CC1	ZINC001573338728	962879717	/nfs/dbraw/zinc/87/97/17/962879717.db2.gz	HGPREQPMSJWGEM-MNOVXSKESA-N	-1	0	286.759	0.994	20	30		CCEDRM
C=C(CCC(=O)OC)C(=O)N1CCC([C@H](O)C(=O)[O-])CC1	ZINC001573339851	962896303	/nfs/dbraw/zinc/89/63/03/962896303.db2.gz	YOMBVHZQTVMZTN-LBPRGKRZSA-N	-1	0	299.323	0.180	20	30		CCEDRM
C=CC(C)(C)CC(=O)N(C)[C@@H](C)CNC(=O)CNC(=O)[O-]	ZINC001573347804	962952637	/nfs/dbraw/zinc/95/26/37/962952637.db2.gz	OKEFHZKRLXNYRG-JTQLQIEISA-N	-1	0	299.371	0.819	20	30		CCEDRM
C=CC[C@@H](CO)CNC(=O)NC[C@@H](CC(=O)[O-])C1CC1	ZINC001573350639	962971546	/nfs/dbraw/zinc/97/15/46/962971546.db2.gz	KXUZKYXKSDTBES-ZYHUDNBSSA-N	-1	0	284.356	0.971	20	30		CCEDRM
C=CC[C@@H](CO)CNC(=O)NC[C@H](CC(=O)[O-])C1CC1	ZINC001573350638	962971930	/nfs/dbraw/zinc/97/19/30/962971930.db2.gz	KXUZKYXKSDTBES-PWSUYJOCSA-N	-1	0	284.356	0.971	20	30		CCEDRM
CC(=O)N[C@@H](C[S@](=O)Cc1ccc(C#N)cc1)C(=O)[O-]	ZINC000300450858	963010855	/nfs/dbraw/zinc/01/08/55/963010855.db2.gz	ZTVNWPMXGOXJRR-FKIZINRSSA-N	-1	0	294.332	0.396	20	30		CCEDRM
C=CCCC[C@@H](NC(=O)CNC(=O)OCC)C(=O)[O-]	ZINC001573358375	963026175	/nfs/dbraw/zinc/02/61/75/963026175.db2.gz	YTYNRCGENSBRLM-SECBINFHSA-N	-1	0	272.301	0.658	20	30		CCEDRM
CC[C@](COC)(NC(=O)c1c[nH]c(C#N)c1)C(=O)[O-]	ZINC001570984923	963115218	/nfs/dbraw/zinc/11/52/18/963115218.db2.gz	NSVFWNROWYXUGR-GFCCVEGCSA-N	-1	0	265.269	0.496	20	30		CCEDRM
COC[C@H](C)CNC(=O)N1CCC(C#N)(C(=O)[O-])CC1	ZINC001571024573	963359015	/nfs/dbraw/zinc/35/90/15/963359015.db2.gz	JGOOKUKQMYFHIV-SNVBAGLBSA-N	-1	0	283.328	0.669	20	30		CCEDRM
C=CCCCNC(=O)N1CCO[C@H](CC(=O)[O-])C1	ZINC000310705407	963427714	/nfs/dbraw/zinc/42/77/14/963427714.db2.gz	HTWWXPBFDPQBJF-SNVBAGLBSA-N	-1	0	256.302	0.838	20	30		CCEDRM
C=CCCCNS(=O)(=O)c1cnn(CC(=O)[O-])c1	ZINC000310734222	963429458	/nfs/dbraw/zinc/42/94/58/963429458.db2.gz	YAHZJCJDSIXLEC-UHFFFAOYSA-N	-1	0	273.314	0.212	20	30		CCEDRM
N#CCc1cccc(NC(=O)Cn2cc(C(=O)[O-])nn2)c1	ZINC000313451185	963642910	/nfs/dbraw/zinc/64/29/10/963642910.db2.gz	RQZNEUNJPCEILQ-UHFFFAOYSA-N	-1	0	285.263	0.681	20	30		CCEDRM
C#CCCCC(=O)N1C[C@@H](C(=O)[O-])CC[C@@H]1C(=O)OC	ZINC001588435346	964021786	/nfs/dbraw/zinc/02/17/86/964021786.db2.gz	MKZJKDAKMFHXNU-WDEREUQCSA-N	-1	0	281.308	0.655	20	30		CCEDRM
C#CCCCC(=O)N1CC[C@H](C(=O)[O-])C[C@H]1C(=O)OC	ZINC001588435477	964022438	/nfs/dbraw/zinc/02/24/38/964022438.db2.gz	RSPHHTVAMPJEII-QWRGUYRKSA-N	-1	0	281.308	0.655	20	30		CCEDRM
C=C(C)Cn1c(CO)nnc1N1CC[C@@](C)(C(=O)[O-])C1	ZINC001588441740	964053711	/nfs/dbraw/zinc/05/37/11/964053711.db2.gz	FGLOCWQBKJBRKQ-CYBMUJFWSA-N	-1	0	280.328	0.648	20	30		CCEDRM
C=CC(C)(C)C(=O)OCCc1cn(CC(=O)[O-])nn1	ZINC001588450249	964095431	/nfs/dbraw/zinc/09/54/31/964095431.db2.gz	ASEICJWXESUHSO-UHFFFAOYSA-N	-1	0	267.285	0.661	20	30		CCEDRM
C#Cc1cccc(NC(=O)NC[C@](C)(O)C(=O)[O-])c1	ZINC000090277173	967589344	/nfs/dbraw/zinc/58/93/44/967589344.db2.gz	CECRLQGLUBPYFN-ZDUSSCGKSA-N	-1	0	262.265	0.625	20	30		CCEDRM
C#CCN(CC(=O)[O-])C(=O)C1CCN(C(=O)C(C)C)CC1	ZINC000092477175	967594211	/nfs/dbraw/zinc/59/42/11/967594211.db2.gz	CXNYVQDALOGKMP-UHFFFAOYSA-N	-1	0	294.351	0.427	20	30		CCEDRM
C[C@](C#N)(CC(=O)[O-])C(=O)OCC(=O)[C@@H]1CCCOC1	ZINC001609693053	970453556	/nfs/dbraw/zinc/45/35/56/970453556.db2.gz	RFCNAWZPRUSOSI-NOZJJQNGSA-N	-1	0	283.280	0.530	20	30		CCEDRM
C[C@H](CC(=O)[O-])NC(=O)NCCNc1ncccc1C#N	ZINC001609885651	970574056	/nfs/dbraw/zinc/57/40/56/970574056.db2.gz	PGYJTCFBCYJMAT-SECBINFHSA-N	-1	0	291.311	0.528	20	30		CCEDRM
C[C@@](O)(CNC(=O)[C@@]1(C#N)CC12CCCC2)C(=O)[O-]	ZINC001609943290	970614358	/nfs/dbraw/zinc/61/43/58/970614358.db2.gz	QAHBVZZFNISHRB-YPMHNXCESA-N	-1	0	266.297	0.412	20	30		CCEDRM
C=CC[C@H](CO)NC(=O)[C@H]1CCCC[C@H]1C(=O)[O-]	ZINC000320533642	970675481	/nfs/dbraw/zinc/67/54/81/970675481.db2.gz	QCAFIOCPYIWWJO-OUAUKWLOSA-N	-1	0	255.314	0.931	20	30		CCEDRM
C[C@@](C#N)(CC(=O)[O-])C(=O)NC[C@H]1CC(C)(C)CO1	ZINC001603334167	972701250	/nfs/dbraw/zinc/70/12/50/972701250.db2.gz	NIDXTPZOEKEIFI-RNCFNFMXSA-N	-1	0	268.313	0.922	20	30		CCEDRM
COC(=O)C1(C#N)CCN(C(=O)[C@@H](C(=O)[O-])C2CC2)CC1	ZINC001604272162	972832854	/nfs/dbraw/zinc/83/28/54/972832854.db2.gz	RCZZQTYTWWEAHY-JTQLQIEISA-N	-1	0	294.307	0.403	20	30		CCEDRM
Cc1cc(NC(=O)C(=O)N[C@@H](C)CC(=O)[O-])ncc1C#N	ZINC001605195098	972924205	/nfs/dbraw/zinc/92/42/05/972924205.db2.gz	ZFJLTERJSAFOOV-QMMMGPOBSA-N	-1	0	290.279	0.180	20	30		CCEDRM
C[C@@H]1C[C@H](CNC(=O)[C@@](C)(C#N)CC(=O)[O-])[C@@H](C)O1	ZINC001603376308	972938998	/nfs/dbraw/zinc/93/89/98/972938998.db2.gz	WNBFNGARAZZWPW-VWMGYNLJSA-N	-1	0	268.313	0.921	20	30		CCEDRM
COCCN(CCC#N)C(=O)[C@@H]1CC[C@@H]1C(=O)[O-]	ZINC000397051698	972961763	/nfs/dbraw/zinc/96/17/63/972961763.db2.gz	YMOXHTMMPYYJCJ-ZJUUUORDSA-N	-1	0	254.286	0.486	20	30		CCEDRM
CO[C@](C)(C(=O)[O-])C(=O)OCC(=O)c1ccc(C#N)cc1	ZINC001604463478	973323054	/nfs/dbraw/zinc/32/30/54/973323054.db2.gz	WVSVHEIBNMOQMV-CQSZACIVSA-N	-1	0	291.259	0.774	20	30		CCEDRM
CC(=O)N[C@@H](CSc1cncc(C#N)n1)C(=O)[O-]	ZINC000401688601	973376472	/nfs/dbraw/zinc/37/64/72/973376472.db2.gz	YVGITJKHOLNLKV-QMMMGPOBSA-N	-1	0	266.282	0.030	20	30		CCEDRM
Cc1nc(N2C[C@H](O)C[C@H](C(=O)[O-])C2)ccc1C#N	ZINC000401970220	973576628	/nfs/dbraw/zinc/57/66/28/973576628.db2.gz	LDAFEEPWPTVOQC-WDEREUQCSA-N	-1	0	261.281	0.534	20	30		CCEDRM
Cn1ncc(C(=O)[O-])c1CN1CCN(CCC#N)CC1	ZINC001605550723	973767980	/nfs/dbraw/zinc/76/79/80/973767980.db2.gz	XFJSSNVTKJENQV-UHFFFAOYSA-N	-1	0	277.328	0.150	20	30		CCEDRM
N#CC1(COC(=O)c2cccc(OCC(=O)[O-])c2)COC1	ZINC001605582631	973866109	/nfs/dbraw/zinc/86/61/09/973866109.db2.gz	AHSQEKHWZJCQOD-UHFFFAOYSA-N	-1	0	291.259	0.847	20	30		CCEDRM
N#C[C@@]1(NC(=O)[C@H]2CC[C@H]2C(=O)[O-])CCSC1	ZINC001605582678	973867490	/nfs/dbraw/zinc/86/74/90/973867490.db2.gz	CSRWQPOSVSRNTP-RNSXUZJQSA-N	-1	0	254.311	0.613	20	30		CCEDRM
N#Cc1csc(C(=O)O[C@@H]2CCN(CC(=O)[O-])C2=O)c1	ZINC001605625943	973949956	/nfs/dbraw/zinc/94/99/56/973949956.db2.gz	DBDJSGKEEDNIJC-MRVPVSSYSA-N	-1	0	294.288	0.462	20	30		CCEDRM
N#CCCCS(=O)(=O)N1CCSC[C@H]1C(=O)[O-]	ZINC000417449970	973953171	/nfs/dbraw/zinc/95/31/71/973953171.db2.gz	ZBULGBRIUXPAMJ-QMMMGPOBSA-N	-1	0	278.355	0.122	20	30		CCEDRM
C[C@@H](CC(=O)[O-])C(=O)NCC1(C#N)CCOCC1	ZINC001592351431	977824991	/nfs/dbraw/zinc/82/49/91/977824991.db2.gz	JVJLVKVVJFCTBZ-VIFPVBQESA-N	-1	0	254.286	0.534	20	30		CCEDRM
C[C@](CCF)(NC(=O)c1cc(C#N)ccn1)C(=O)[O-]	ZINC001592498036	978305974	/nfs/dbraw/zinc/30/59/74/978305974.db2.gz	MZQONYRREIFIQB-GFCCVEGCSA-N	-1	0	265.244	0.886	20	30		CCEDRM
CC[C@@H](Cc1cn(CCO[C@@H](C)C#N)nn1)C(=O)[O-]	ZINC001595219646	980040478	/nfs/dbraw/zinc/04/04/78/980040478.db2.gz	RNCHMGYWMPKKNX-UWVGGRQHSA-N	-1	0	266.301	0.860	20	30		CCEDRM
CC[C@@H](O)[C@@H](C)C(=O)N1CCC(C#N)(C(=O)[O-])CC1	ZINC001595327885	980551900	/nfs/dbraw/zinc/55/19/00/980551900.db2.gz	YNWGMUZIXGDEEM-NXEZZACHSA-N	-1	0	268.313	0.610	20	30		CCEDRM
CCCC[C@H](NS(=O)(=O)c1ccc(C#N)cn1)C(=O)[O-]	ZINC001595642059	981970175	/nfs/dbraw/zinc/97/01/75/981970175.db2.gz	GGIATNINHUJXIF-JTQLQIEISA-N	-1	0	297.336	0.875	20	30		CCEDRM
O=C([O-])[C@@H]1CC[C@@H]1C(=O)N1CCC2(CC1)CC(=O)C=CO2	ZINC001574825102	983284999	/nfs/dbraw/zinc/28/49/99/983284999.db2.gz	JGODHODYUHOWAA-NWDGAFQWSA-N	-1	0	293.319	0.962	20	30		CCEDRM
C#C[C@@H](C)NS(=O)(=O)c1ccc(C)cc1C(=O)[O-]	ZINC001588368159	983303533	/nfs/dbraw/zinc/30/35/33/983303533.db2.gz	HNLYBRLFTSBTSP-SECBINFHSA-N	-1	0	267.306	0.993	20	30		CCEDRM
C#C[C@](C)(CC)NS(=O)(=O)c1csnc1C(=O)[O-]	ZINC001588368127	983303557	/nfs/dbraw/zinc/30/35/57/983303557.db2.gz	GVZQOBGTUWHSHI-SNVBAGLBSA-N	-1	0	288.350	0.922	20	30		CCEDRM
C#C[C@@H](CO)NC(=O)Nc1ccc(F)c(C(=O)[O-])c1	ZINC001588370608	983320501	/nfs/dbraw/zinc/32/05/01/983320501.db2.gz	INLRLUYEEWWGBC-ZETCQYMHSA-N	-1	0	266.228	0.640	20	30		CCEDRM
C#C[C@@H](NC(=O)NCC(C)(C)C(=O)[O-])[C@@H]1CCCO1	ZINC001588372371	983330681	/nfs/dbraw/zinc/33/06/81/983330681.db2.gz	JDGQMJRRUZREHD-ZJUUUORDSA-N	-1	0	268.313	0.577	20	30		CCEDRM
C#C[C@@H](NC(=O)Cn1cccc(C(=O)[O-])c1=O)C(C)C	ZINC001588372993	983335339	/nfs/dbraw/zinc/33/53/39/983335339.db2.gz	XJPLQKLXKHWOPJ-LLVKDONJSA-N	-1	0	276.292	0.321	20	30		CCEDRM
C#C[C@H](NS(=O)(=O)c1occc1C(=O)[O-])[C@H]1CCCO1	ZINC001588376222	983349991	/nfs/dbraw/zinc/34/99/91/983349991.db2.gz	QTFYWERZMUUNNH-VHSXEESVSA-N	-1	0	299.304	0.437	20	30		CCEDRM
C#CC1(NS(=O)(=O)CCCC(=O)[O-])CCCC1	ZINC001588379988	983366655	/nfs/dbraw/zinc/36/66/55/983366655.db2.gz	WQSJRBUCYYMVFV-UHFFFAOYSA-N	-1	0	259.327	0.717	20	30		CCEDRM
C#C[C@H]1COCCN1CC(=O)Nc1ccccc1C(=O)[O-]	ZINC001588383474	983381341	/nfs/dbraw/zinc/38/13/41/983381341.db2.gz	ARNXGSWPDHLDFY-NSHDSACASA-N	-1	0	288.303	0.657	20	30		CCEDRM
C#C[C@@H]1COCCN1C(=O)N[C@H]1CC[C@@H](CC(=O)[O-])C1	ZINC001588383541	983381997	/nfs/dbraw/zinc/38/19/97/983381997.db2.gz	CQTYVRQNBAGQJD-GRYCIOLGSA-N	-1	0	280.324	0.673	20	30		CCEDRM
C#CC[C@@H](CCOC)NC(=O)c1ccc(C(=O)[O-])[nH]1	ZINC001588393202	983396933	/nfs/dbraw/zinc/39/69/33/983396933.db2.gz	CUVRJMGDAHPLOZ-VIFPVBQESA-N	-1	0	264.281	0.871	20	30		CCEDRM
C#CC[C@@H](COC)NC(=O)Nc1ccc(C(=O)[O-])nn1	ZINC001588394267	983402287	/nfs/dbraw/zinc/40/22/87/983402287.db2.gz	JNFJXCQMDKCRSM-QMMMGPOBSA-N	-1	0	278.268	0.335	20	30		CCEDRM
C#CC[C@H](COC)N1C(=O)[C@@H]2C[C@H](C(=O)[O-])CCN2C1=O	ZINC001588395339	983405566	/nfs/dbraw/zinc/40/55/66/983405566.db2.gz	SKDAVTWKOBQJOC-MXWKQRLJSA-N	-1	0	294.307	0.152	20	30		CCEDRM
C#CC[C@H](CO)NC(=O)NCc1ccc(C(=O)[O-])s1	ZINC001588395798	983406309	/nfs/dbraw/zinc/40/63/09/983406309.db2.gz	UIPHLSQNBNQCTF-MRVPVSSYSA-N	-1	0	282.321	0.630	20	30		CCEDRM
C#CC[C@H](NC(=O)[C@H](NC(=O)OCC)C(C)C)C(=O)[O-]	ZINC001588398034	983410619	/nfs/dbraw/zinc/41/06/19/983410619.db2.gz	BGOOQSJSDBGYNQ-VHSXEESVSA-N	-1	0	284.312	0.350	20	30		CCEDRM
C#CC[C@@H](NC(=O)[C@@H](O)Cc1cccc(OC)c1)C(=O)[O-]	ZINC001588398917	983414172	/nfs/dbraw/zinc/41/41/72/983414172.db2.gz	OGSGUHVPEWHPID-OLZOCXBDSA-N	-1	0	291.303	0.191	20	30		CCEDRM
C#CC[C@H](NC(=O)CCCN(C)C(=O)OC)C(=O)[O-]	ZINC001588407080	983427108	/nfs/dbraw/zinc/42/71/08/983427108.db2.gz	VZNYFYUTNCTCON-VIFPVBQESA-N	-1	0	270.285	0.058	20	30		CCEDRM
C#CC[C@H](NC(=O)c1cccc([N+](=O)[O-])c1N)C(=O)[O-]	ZINC001588415878	983435958	/nfs/dbraw/zinc/43/59/58/983435958.db2.gz	HSKBFOCCTADKBM-QMMMGPOBSA-N	-1	0	277.236	0.383	20	30		CCEDRM
C#CC[C@@H](NC(=O)c1ccccc1Cn1cncn1)C(=O)[O-]	ZINC001588416916	983437967	/nfs/dbraw/zinc/43/79/67/983437967.db2.gz	SRHWKCIMZONAEY-CYBMUJFWSA-N	-1	0	298.302	0.533	20	30		CCEDRM
C#CC[C@@H](NC(=O)c1ccccc1CC#N)C(=O)[O-]	ZINC001588416986	983438027	/nfs/dbraw/zinc/43/80/27/983438027.db2.gz	TYVKNUBBFQTBEL-GFCCVEGCSA-N	-1	0	256.261	0.959	20	30		CCEDRM
C#CC[C@H](NC(=O)c1sccc1-n1ccnn1)C(=O)[O-]	ZINC001588421814	983442780	/nfs/dbraw/zinc/44/27/80/983442780.db2.gz	OMMDTZHJRIFIBU-QMMMGPOBSA-N	-1	0	290.304	0.535	20	30		CCEDRM
C#CC[C@H](NS(=O)(=O)c1cc(N)ccc1C)C(=O)[O-]	ZINC001588423366	983452241	/nfs/dbraw/zinc/45/22/41/983452241.db2.gz	DLWGJKOEYVINRT-JTQLQIEISA-N	-1	0	282.321	0.332	20	30		CCEDRM
C#CC[C@@H](NS(=O)(=O)c1ccccc1COC)C(=O)[O-]	ZINC001588428224	983460712	/nfs/dbraw/zinc/46/07/12/983460712.db2.gz	GJHRNHJVHXTNDE-LLVKDONJSA-N	-1	0	297.332	0.588	20	30		CCEDRM
C#CC[C@@H](OC(=O)CN1CCC[C@H](C(=O)[O-])C1=O)C(C)C	ZINC001588428298	983461063	/nfs/dbraw/zinc/46/10/63/983461063.db2.gz	JKBHFKDYMRNQQQ-NWDGAFQWSA-N	-1	0	295.335	0.901	20	30		CCEDRM
C#CCC1(O)CCN(c2ncnc(C(=O)[O-])c2OC)CC1	ZINC001588431189	983464610	/nfs/dbraw/zinc/46/46/10/983464610.db2.gz	IHLSXSOCCLBNQA-UHFFFAOYSA-N	-1	0	291.307	0.538	20	30		CCEDRM
C#CC[C@@H]1CCN(S(=O)(=O)CC2(CC(=O)[O-])CC2)C1	ZINC001588433942	983468447	/nfs/dbraw/zinc/46/84/47/983468447.db2.gz	DHUQFRITMUFYDG-LLVKDONJSA-N	-1	0	285.365	0.916	20	30		CCEDRM
C#CC[C@@H]1CCN(S(=O)(=O)C[C@H](C)C(=O)[O-])C1	ZINC001588434320	983469446	/nfs/dbraw/zinc/46/94/46/983469446.db2.gz	JDAVNHKMRPXTKY-VHSXEESVSA-N	-1	0	259.327	0.382	20	30		CCEDRM
C#CCC[C@@H](O)CNC(=O)Nc1cc(C)c(C(=O)[O-])cn1	ZINC001588435179	983475176	/nfs/dbraw/zinc/47/51/76/983475176.db2.gz	GDFZKBXOZBJQMF-SNVBAGLBSA-N	-1	0	291.307	0.984	20	30		CCEDRM
C#CCN(CC1CC1)C(=O)Cn1cccc(C(=O)[O-])c1=O	ZINC001588468251	983500265	/nfs/dbraw/zinc/50/02/65/983500265.db2.gz	SPEBUUVGQWPBOC-UHFFFAOYSA-N	-1	0	288.303	0.418	20	30		CCEDRM
C#CCNC(=O)[C@H](C)OC(=O)c1ccncc1C(=O)[O-]	ZINC001588479610	983520745	/nfs/dbraw/zinc/52/07/45/983520745.db2.gz	WGOJIQSVRLLBAL-QMMMGPOBSA-N	-1	0	276.248	0.075	20	30		CCEDRM
C#CCNC(=O)CN[C@@](C)(C(=O)[O-])c1ccc(F)cc1	ZINC001588483753	983521994	/nfs/dbraw/zinc/52/19/94/983521994.db2.gz	GVQCRRVZNMUQPD-CQSZACIVSA-N	-1	0	278.283	0.465	20	30		CCEDRM
C#CCNC(=O)c1ccccc1NC(=O)COCC(=O)[O-]	ZINC001588485281	983524975	/nfs/dbraw/zinc/52/49/75/983524975.db2.gz	KLVHFTAEQCCIIG-UHFFFAOYSA-N	-1	0	290.275	0.089	20	30		CCEDRM
C#CCO[C@@H](C)C(=O)O[C@@H](CCSC)C(=O)[O-]	ZINC001588490486	983532458	/nfs/dbraw/zinc/53/24/58/983532458.db2.gz	NZUJCHVTCNUXOH-IUCAKERBSA-N	-1	0	260.311	0.774	20	30		CCEDRM
C#CCOCCNC(=O)/C=C\c1cc(C(=O)[O-])co1	ZINC001588491629	983536804	/nfs/dbraw/zinc/53/68/04/983536804.db2.gz	RICAIUVSELVYRI-ARJAWSKDSA-N	-1	0	263.249	0.757	20	30		CCEDRM
C#CCOCCn1nnnc1N1CCC(CC(=O)[O-])CC1	ZINC001588499077	983545052	/nfs/dbraw/zinc/54/50/52/983545052.db2.gz	MMIYPYHBXYHVOY-UHFFFAOYSA-N	-1	0	293.327	0.014	20	30		CCEDRM
CCN([C@H](C)C#N)S(=O)(=O)c1n[nH]c(C)c1C(=O)[O-]	ZINC001596179102	983549372	/nfs/dbraw/zinc/54/93/72/983549372.db2.gz	ZSXNEVXDPNDTIC-ZCFIWIBFSA-N	-1	0	286.313	0.339	20	30		CCEDRM
C#CCSCC(=O)N[C@H]1C[C@@H](C(=O)[O-])[C@@H]2C[C@@H]21	ZINC001588506469	983551797	/nfs/dbraw/zinc/55/17/97/983551797.db2.gz	RQZBLRWAGFQCED-RGOKHQFPSA-N	-1	0	253.323	0.578	20	30		CCEDRM
C#CCSCCNC(=O)N1C[C@H](C)O[C@H](C(=O)[O-])C1	ZINC001588506571	983552247	/nfs/dbraw/zinc/55/22/47/983552247.db2.gz	XKRXQASKOPGKMT-UWVGGRQHSA-N	-1	0	286.353	0.236	20	30		CCEDRM
C#Cc1ccc(C(=O)N[C@@H]2CC=C(C(=O)[O-])C2)cn1	ZINC001588510860	983557640	/nfs/dbraw/zinc/55/76/40/983557640.db2.gz	MPAKAFGAAWYQJE-GFCCVEGCSA-N	-1	0	256.261	0.966	20	30		CCEDRM
C#CCn1ccc(CN(CCOC)[C@H](CC=C)C(=O)[O-])n1	ZINC001588511251	983558846	/nfs/dbraw/zinc/55/88/46/983558846.db2.gz	TVOXNSOQDQJXIC-CQSZACIVSA-N	-1	0	291.351	0.994	20	30		CCEDRM
C#Cc1ccc(NC(=O)NCCn2cc(C(=O)[O-])nn2)cc1	ZINC001588517978	983567448	/nfs/dbraw/zinc/56/74/48/983567448.db2.gz	LKKMCFBWBVQDLU-UHFFFAOYSA-N	-1	0	299.290	0.779	20	30		CCEDRM
C=C(C)C(C)(C)C(=O)NCCNC(=O)[C@@H]1C[C@@H]1C(=O)[O-]	ZINC001588530310	983584176	/nfs/dbraw/zinc/58/41/76/983584176.db2.gz	YYJJKESJQOLRBM-ZJUUUORDSA-N	-1	0	282.340	0.542	20	30		CCEDRM
C=C(C)C[C@H](CO)NC(=O)Nc1cc(C(=O)[O-])nn1C	ZINC001588535524	983589490	/nfs/dbraw/zinc/58/94/90/983589490.db2.gz	IRZUSXUVKRQVDR-MRVPVSSYSA-N	-1	0	282.300	0.567	20	30		CCEDRM
C=C(C)C[C@@H](NC(=O)[C@@H]1CCCC(=O)N1C)C(=O)[O-]	ZINC001588537133	983597897	/nfs/dbraw/zinc/59/78/97/983597897.db2.gz	IVUUTCURTDKUOT-ZJUUUORDSA-N	-1	0	268.313	0.533	20	30		CCEDRM
C=C(C)C[C@@H](NC(=O)[C@H]1CCCN(C2CC2)C1=O)C(=O)[O-]	ZINC001588541427	983607678	/nfs/dbraw/zinc/60/76/78/983607678.db2.gz	YWLYFCWZTZUDFF-VXGBXAGGSA-N	-1	0	294.351	0.923	20	30		CCEDRM
C=C(C)C[C@H](NC(=O)CNC(=O)c1ccoc1C)C(=O)[O-]	ZINC001588542615	983609212	/nfs/dbraw/zinc/60/92/12/983609212.db2.gz	NRWYTZFDOWNJAG-NSHDSACASA-N	-1	0	294.307	0.853	20	30		CCEDRM
C=C(C)C[C@H](NC(=O)Cn1ccc(C(=O)OC)n1)C(=O)[O-]	ZINC001588543513	983611651	/nfs/dbraw/zinc/61/16/51/983611651.db2.gz	JBEHGSWPHMWFCM-JTQLQIEISA-N	-1	0	295.295	0.205	20	30		CCEDRM
C=C(C)C[C@H](NC(C)=O)C(=O)N(C)CCCC(=O)[O-]	ZINC001588547435	983620017	/nfs/dbraw/zinc/62/00/17/983620017.db2.gz	JSMNKARCOHACFM-NSHDSACASA-N	-1	0	270.329	0.781	20	30		CCEDRM
CCN(C[C@H](C)C#N)C(=O)CN1CCC[C@H](C(=O)[O-])C1=O	ZINC001596229967	983623132	/nfs/dbraw/zinc/62/31/32/983623132.db2.gz	OVFDQOFNCVYVGN-MNOVXSKESA-N	-1	0	295.339	0.318	20	30		CCEDRM
C=C(C)C[C@H](NS(=O)(=O)C1CCC(=O)CC1)C(=O)[O-]	ZINC001588553773	983628507	/nfs/dbraw/zinc/62/85/07/983628507.db2.gz	RUGFWCRNXIBBML-NSHDSACASA-N	-1	0	289.353	0.837	20	30		CCEDRM
C=C(C)C[C@@H]1NC(=O)N([C@H]2C[C@@H](C(=O)[O-])[C@@H]3C[C@@H]32)C1=O	ZINC001588555162	983633391	/nfs/dbraw/zinc/63/33/91/983633391.db2.gz	ZYHUVCPPLCRSKJ-XXFSISAASA-N	-1	0	278.308	0.982	20	30		CCEDRM
C=C(C)C[C@@H](NS(=O)(=O)c1cncc(C#N)c1)C(=O)[O-]	ZINC001588555804	983637354	/nfs/dbraw/zinc/63/73/54/983637354.db2.gz	SQJVJWPXCJLLRJ-LLVKDONJSA-N	-1	0	295.320	0.651	20	30		CCEDRM
C=C(C)CN(CC)C(=O)COC(=O)[C@@H]1CC[C@H](C(=O)[O-])O1	ZINC001588563431	983645146	/nfs/dbraw/zinc/64/51/46/983645146.db2.gz	URIAROQGJJMQAT-MNOVXSKESA-N	-1	0	299.323	0.586	20	30		CCEDRM
C=C(C)CS(=O)(=O)N[C@H]1C[C@H]2C[C@@H](C(=O)[O-])C[C@H]21	ZINC001588577308	983656171	/nfs/dbraw/zinc/65/61/71/983656171.db2.gz	RLFZURQOQFBTKE-DBIOUOCHSA-N	-1	0	273.354	0.981	20	30		CCEDRM
C=C(C)CS(=O)(=O)N1CCc2[nH]nc(C(=O)[O-])c2C1	ZINC001588577323	983656174	/nfs/dbraw/zinc/65/61/74/983656174.db2.gz	SAHSGOOZQJSGCB-UHFFFAOYSA-N	-1	0	285.325	0.372	20	30		CCEDRM
C=C(C)CS(=O)(=O)N[C@H]1CCCn2nc(C(=O)[O-])cc21	ZINC001588577586	983657264	/nfs/dbraw/zinc/65/72/64/983657264.db2.gz	ZGFZSIBMSJZIKA-VIFPVBQESA-N	-1	0	299.352	0.912	20	30		CCEDRM
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@H](CCOC)C(=O)[O-]	ZINC001588598954	983687342	/nfs/dbraw/zinc/68/73/42/983687342.db2.gz	AVWRODOPPXBLMC-AXFHLTTASA-N	-1	0	271.313	0.574	20	30		CCEDRM
C=C(CCC(=O)[O-])C(=O)N(C)C[C@H](O)c1cccnc1	ZINC001588606664	983698240	/nfs/dbraw/zinc/69/82/40/983698240.db2.gz	CZLIGOHXWLZNEH-LBPRGKRZSA-N	-1	0	278.308	0.994	20	30		CCEDRM
C=C(CCC(=O)[O-])C(=O)N(CCOCCO)C1CCC1	ZINC001588611956	983701093	/nfs/dbraw/zinc/70/10/93/983701093.db2.gz	CVZROIQOLZUOBG-UHFFFAOYSA-N	-1	0	285.340	0.797	20	30		CCEDRM
C=C(CCC(=O)[O-])C(=O)N1C[C@H](C(N)=O)CC[C@@H]1C	ZINC001588612589	983703381	/nfs/dbraw/zinc/70/33/81/983703381.db2.gz	SPUIHLRXJUGALG-VHSXEESVSA-N	-1	0	268.313	0.520	20	30		CCEDRM
C=C(CCC(=O)[O-])C(=O)N1CCC[C@@H](C(N)=O)C1	ZINC001588613838	983705056	/nfs/dbraw/zinc/70/50/56/983705056.db2.gz	FRIVPWAXSVLGFN-SECBINFHSA-N	-1	0	254.286	0.131	20	30		CCEDRM
C=C(CCC(=O)[O-])C(=O)N1CC[C@@H](C)[C@@H](CO)C1	ZINC001588614677	983708248	/nfs/dbraw/zinc/70/82/48/983708248.db2.gz	ZKJHYYWJLVGWPL-MWLCHTKSSA-N	-1	0	255.314	0.884	20	30		CCEDRM
C=C(CCC(=O)[O-])C(=O)N1CCN(C[C@H]2CCCO2)CC1	ZINC001588615046	983709892	/nfs/dbraw/zinc/70/98/92/983709892.db2.gz	IIMCWIHUZYJBTP-CYBMUJFWSA-N	-1	0	296.367	0.731	20	30		CCEDRM
C=C(CCC(=O)[O-])C(=O)N1CCO[C@H](C(=O)C2CC2)C1	ZINC001588615105	983710277	/nfs/dbraw/zinc/71/02/77/983710277.db2.gz	KFUGRLLUZIIPCK-NSHDSACASA-N	-1	0	281.308	0.614	20	30		CCEDRM
C=C(CCC(=O)[O-])C(=O)N[C@@H](C(N)=O)c1ccccc1	ZINC001588618808	983713088	/nfs/dbraw/zinc/71/30/88/983713088.db2.gz	AOZOONADLIQOTM-GFCCVEGCSA-N	-1	0	276.292	0.750	20	30		CCEDRM
C=C(CCC(=O)[O-])C(=O)N[C@H](C)C1(S(C)(=O)=O)CC1	ZINC001588618883	983713342	/nfs/dbraw/zinc/71/33/42/983713342.db2.gz	DECCUXFDQGXIIV-SECBINFHSA-N	-1	0	289.353	0.489	20	30		CCEDRM
C=C(CCC(=O)[O-])C(=O)N[C@H]1CCC(=O)N(C)C1	ZINC001588621398	983718933	/nfs/dbraw/zinc/71/89/33/983718933.db2.gz	CNWHAOYRMIMPLK-VIFPVBQESA-N	-1	0	254.286	0.144	20	30		CCEDRM
C=C(CCC(=O)[O-])C(=O)N[C@@H](CO)Cc1ccncc1	ZINC001588621564	983720119	/nfs/dbraw/zinc/72/01/19/983720119.db2.gz	GSBJMWIKRCIEBZ-GFCCVEGCSA-N	-1	0	278.308	0.522	20	30		CCEDRM
C=C(CCC(=O)[O-])C(=O)N[C@]1(CC(=O)OC)CCCOC1	ZINC001588622155	983722211	/nfs/dbraw/zinc/72/22/11/983722211.db2.gz	QGHQOLGLTTYLKT-AWEZNQCLSA-N	-1	0	299.323	0.636	20	30		CCEDRM
C=C(CCC(=O)[O-])C(=O)N[C@@H](C)c1nnc(C)[nH]1	ZINC001588622401	983723576	/nfs/dbraw/zinc/72/35/76/983723576.db2.gz	XDTDLSOIZNFIPQ-ZETCQYMHSA-N	-1	0	252.274	0.711	20	30		CCEDRM
C=C(CCC(=O)[O-])C(=O)NC[C@@H](C)c1ncon1	ZINC001588623236	983727105	/nfs/dbraw/zinc/72/71/05/983727105.db2.gz	NFBFIMFJIQHVIP-MRVPVSSYSA-N	-1	0	253.258	0.710	20	30		CCEDRM
C=C(CCC(=O)[O-])C(=O)NCC[C@H](C)[S@](C)=O	ZINC001588624485	983732828	/nfs/dbraw/zinc/73/28/28/983732828.db2.gz	KMLZBGNBMMNEDE-XYZCENFISA-N	-1	0	261.343	0.681	20	30		CCEDRM
C=C(CCC(=O)[O-])C(=O)NCC1CCN(C(C)=O)CC1	ZINC001588624721	983734464	/nfs/dbraw/zinc/73/44/64/983734464.db2.gz	UHCNWASSQRVMAJ-UHFFFAOYSA-N	-1	0	282.340	0.782	20	30		CCEDRM
C=C(CCC(=O)[O-])C(=O)Nc1cccn(C)c1=O	ZINC001588633441	983749109	/nfs/dbraw/zinc/74/91/09/983749109.db2.gz	GXPMBJQDQSLLDM-UHFFFAOYSA-N	-1	0	250.254	0.745	20	30		CCEDRM
C=C(CCC(=O)[O-])C(=O)Nc1ccc(OCCO)nc1	ZINC001588634544	983753367	/nfs/dbraw/zinc/75/33/67/983753367.db2.gz	XBMDRARRXAGJJR-UHFFFAOYSA-N	-1	0	280.280	0.812	20	30		CCEDRM
C=C(CO)C(=O)Nc1cc(C(=O)[O-])cc([N+](=O)[O-])c1	ZINC001588637442	983760384	/nfs/dbraw/zinc/76/03/84/983760384.db2.gz	OSLPRPVBWQBIPO-UHFFFAOYSA-N	-1	0	266.209	0.780	20	30		CCEDRM
C=C(CO)C(=O)N1CCc2ccccc2[C@H]1C(=O)[O-]	ZINC001588637616	983760818	/nfs/dbraw/zinc/76/08/18/983760818.db2.gz	RVKMKDACDGFTSW-LBPRGKRZSA-N	-1	0	261.277	0.746	20	30		CCEDRM
C=C[C@H](C(=O)[O-])N(C)Cc1nc([C@H](C)OC)no1	ZINC001588664192	983798898	/nfs/dbraw/zinc/79/88/98/983798898.db2.gz	OCDJVZUGCLSWEZ-JGVFFNPUSA-N	-1	0	255.274	0.848	20	30		CCEDRM
C=C[C@@H](C(=O)OC)N1CCC[C@H](n2cc(C(=O)[O-])nn2)C1	ZINC001588671796	983822867	/nfs/dbraw/zinc/82/28/67/983822867.db2.gz	IPGNPCDYJFOFSW-ONGXEEELSA-N	-1	0	294.311	0.341	20	30		CCEDRM
C=C[C@@H](C(=O)[O-])n1cc(C[C@H](CC)C(=O)OC)nn1	ZINC001588672577	983826392	/nfs/dbraw/zinc/82/63/92/983826392.db2.gz	WHGFMKQUUAMZSO-WPRPVWTQSA-N	-1	0	267.285	0.832	20	30		CCEDRM
C=C[C@@H](C(=O)OC)N1CCC(n2cc(C(=O)[O-])nn2)CC1	ZINC001588672840	983826998	/nfs/dbraw/zinc/82/69/98/983826998.db2.gz	ZRDFZIOLOBDWGH-NSHDSACASA-N	-1	0	294.311	0.341	20	30		CCEDRM
C=C[C@](C)(O)CC(=O)Nc1cccc(CC(=O)[O-])n1	ZINC001588683735	983850469	/nfs/dbraw/zinc/85/04/69/983850469.db2.gz	CXHSZKVKRYMMOJ-ZDUSSCGKSA-N	-1	0	264.281	0.974	20	30		CCEDRM
C=C[C@](C)(O)CC(=O)N1C[C@@H](C(=O)OC)CC[C@H]1C(=O)[O-]	ZINC001588684041	983855235	/nfs/dbraw/zinc/85/52/35/983855235.db2.gz	JNXYTTBSWYJYKL-BHDSKKPTSA-N	-1	0	299.323	0.178	20	30		CCEDRM
C=C[C@](C)(O)CC(=O)N1CC[C@@H](C(=O)OC)C[C@H]1C(=O)[O-]	ZINC001588684523	983860974	/nfs/dbraw/zinc/86/09/74/983860974.db2.gz	SJPOJPWTPFRNMU-BFVZDQMLSA-N	-1	0	299.323	0.178	20	30		CCEDRM
C=C[C@@H](C)NC(=O)N1CCC[C@@H](n2cc(C(=O)[O-])nn2)C1	ZINC001588687610	983871131	/nfs/dbraw/zinc/87/11/31/983871131.db2.gz	QKBHAGKAYUQLHR-NXEZZACHSA-N	-1	0	293.327	0.897	20	30		CCEDRM
C=C[C@H](C)NC(=O)N1CC[C@@H](n2cc(C(=O)[O-])nn2)C1	ZINC001588687511	983871302	/nfs/dbraw/zinc/87/13/02/983871302.db2.gz	OPBXDNPXCAQPJS-DTWKUNHWSA-N	-1	0	279.300	0.507	20	30		CCEDRM
C=C[C@@H](O)C(=O)NCc1ccc(C(=O)[O-])cc1F	ZINC001588705157	983926185	/nfs/dbraw/zinc/92/61/85/983926185.db2.gz	KMHNOEMWFHBVOP-SNVBAGLBSA-N	-1	0	253.229	0.687	20	30		CCEDRM
C=C[C@H](OC(=O)c1cc(C(=O)OC)co1)C(=O)[O-]	ZINC001588712794	983946612	/nfs/dbraw/zinc/94/66/12/983946612.db2.gz	NMZNCKLGMNPMSO-ZETCQYMHSA-N	-1	0	254.194	0.862	20	30		CCEDRM
C=C[C@H](OC(=O)c1ccc2c(c1)N(C)C(=O)CO2)C(=O)[O-]	ZINC001588713659	983950043	/nfs/dbraw/zinc/95/00/43/983950043.db2.gz	ZPWNWMNTVPBGIZ-JTQLQIEISA-N	-1	0	291.259	0.838	20	30		CCEDRM
C=C[C@@H]1CCCCN1C(=O)C(=O)N[C@@H]1CC=C(C(=O)[O-])C1	ZINC001588719625	983962229	/nfs/dbraw/zinc/96/22/29/983962229.db2.gz	WOLJDVDGJNWLKX-VXGBXAGGSA-N	-1	0	292.335	0.843	20	30		CCEDRM
C=CCC(C)(C)C(=O)NCCC(=O)NCCC(=O)[O-]	ZINC001588731914	984012328	/nfs/dbraw/zinc/01/23/28/984012328.db2.gz	QKJNJUWRSZADGG-UHFFFAOYSA-N	-1	0	270.329	0.686	20	30		CCEDRM
C=CC[C@H](CO)CNC(=O)Cc1ccc(C(=O)[O-])nc1	ZINC001588737973	984031306	/nfs/dbraw/zinc/03/13/06/984031306.db2.gz	ZEKLDJAVJRHURT-NSHDSACASA-N	-1	0	278.308	0.623	20	30		CCEDRM
C=CC[C@H](NC(=O)[C@H]1C[C@@H](C(=O)[O-])C1)C(=O)OCC	ZINC001588742408	984032647	/nfs/dbraw/zinc/03/26/47/984032647.db2.gz	CFFZESLKKCZWRL-AEJSXWLSSA-N	-1	0	269.297	0.721	20	30		CCEDRM
C=CC[C@H](CO)NS(=O)(=O)[C@@H]1CCCC[C@H]1C(=O)[O-]	ZINC001588744035	984040757	/nfs/dbraw/zinc/04/07/57/984040757.db2.gz	GSBSBYJOODGLMY-GMTAPVOTSA-N	-1	0	291.369	0.486	20	30		CCEDRM
C=CC[C@H](CO)NC(=O)Nc1cncc(C(=O)[O-])c1	ZINC001588744458	984042760	/nfs/dbraw/zinc/04/27/60/984042760.db2.gz	LVOHFBCGRQNWLF-SECBINFHSA-N	-1	0	265.269	0.838	20	30		CCEDRM
C=CC[C@@H](CO)NS(=O)(=O)CC1(C(=O)[O-])CCCC1	ZINC001588744638	984044360	/nfs/dbraw/zinc/04/43/60/984044360.db2.gz	PRHXAWYMNTXALR-JTQLQIEISA-N	-1	0	291.369	0.488	20	30		CCEDRM
C=CC[C@@H](OC(=O)C(C)(C)NC(=O)OC)C(=O)[O-]	ZINC001588751360	984076731	/nfs/dbraw/zinc/07/67/31/984076731.db2.gz	MDZJSVLFZTXGET-SSDOTTSWSA-N	-1	0	259.258	0.694	20	30		CCEDRM
C=CC[C@H](OC(=O)[C@H](NC(C)=O)C(C)C)C(=O)[O-]	ZINC001588751525	984077242	/nfs/dbraw/zinc/07/72/42/984077242.db2.gz	NQLPRSBJNJYNPS-VHSXEESVSA-N	-1	0	257.286	0.720	20	30		CCEDRM
C=CC[C@H](Nc1ccn(CC(=O)N(C)C)n1)C(=O)[O-]	ZINC001588751958	984079164	/nfs/dbraw/zinc/07/91/64/984079164.db2.gz	RUKBFBLQNPEFKA-VIFPVBQESA-N	-1	0	266.301	0.413	20	30		CCEDRM
C=CC[C@H](OC(=O)[C@@H]1CCNC(=O)CC1)C(=O)[O-]	ZINC001588753153	984082883	/nfs/dbraw/zinc/08/28/83/984082883.db2.gz	BATXNIUMVBGIIQ-IUCAKERBSA-N	-1	0	255.270	0.475	20	30		CCEDRM
C=CC[C@H](OC(=O)C[C@@]1(C)CCS(=O)(=O)N1)C(=O)[O-]	ZINC001588754233	984092984	/nfs/dbraw/zinc/09/29/84/984092984.db2.gz	VWBHWWACLSJCIF-GZMMTYOYSA-N	-1	0	291.325	0.031	20	30		CCEDRM
C=CC[C@@H](Sc1nnnn1C[C@@H]1CCCO1)C(=O)[O-]	ZINC001588763245	984118721	/nfs/dbraw/zinc/11/87/21/984118721.db2.gz	QUTWJDGSQSITRN-DTWKUNHWSA-N	-1	0	284.341	0.974	20	30		CCEDRM
C=CCC1(NS(=O)(=O)C[C@H](C)C(=O)[O-])CCOCC1	ZINC001588769170	984132870	/nfs/dbraw/zinc/13/28/70/984132870.db2.gz	OJAYLQSDOXIIOZ-JTQLQIEISA-N	-1	0	291.369	0.752	20	30		CCEDRM
C=CCCC(=O)NC1(CNC(=O)[C@H]2C[C@H]2C(=O)[O-])CC1	ZINC001588773907	984149756	/nfs/dbraw/zinc/14/97/56/984149756.db2.gz	MOMUDZQQHWSKAO-VHSXEESVSA-N	-1	0	280.324	0.438	20	30		CCEDRM
C=CCCC(=O)O[C@H]1CCN(CCC(=O)[O-])C1=O	ZINC001588776837	984153553	/nfs/dbraw/zinc/15/35/53/984153553.db2.gz	JDYIXDKAHOZRHL-VIFPVBQESA-N	-1	0	255.270	0.571	20	30		CCEDRM
C=CCCC[C@H](NC(=O)CNC(=O)N1CCCC1)C(=O)[O-]	ZINC001588788706	984192411	/nfs/dbraw/zinc/19/24/11/984192411.db2.gz	KTHPMCDLRPDHGS-NSHDSACASA-N	-1	0	297.355	0.718	20	30		CCEDRM
C=CCCC[C@@H](NS(=O)(=O)c1ccnn1C)C(=O)[O-]	ZINC001588798841	984239483	/nfs/dbraw/zinc/23/94/83/984239483.db2.gz	SJSVRQMPOZMHBB-SECBINFHSA-N	-1	0	287.341	0.508	20	30		CCEDRM
C=CCCCNC(=O)C(=O)N1CC[C@@H](C(=O)[O-])[C@H]1C	ZINC001588801526	984246143	/nfs/dbraw/zinc/24/61/43/984246143.db2.gz	NFCSXFJYUINDSR-NXEZZACHSA-N	-1	0	268.313	0.390	20	30		CCEDRM
C=CCCCCNC(=O)N1C[C@H](C(=O)OC)[C@H](C(=O)[O-])C1	ZINC001588802502	984249957	/nfs/dbraw/zinc/24/99/57/984249957.db2.gz	PLIFSSYRKDQHJI-MNOVXSKESA-N	-1	0	298.339	0.858	20	30		CCEDRM
C=CCCN(C)C(=O)NCCC(=O)NCCC(=O)[O-]	ZINC001588805659	984255259	/nfs/dbraw/zinc/25/52/59/984255259.db2.gz	JUSHHZFOIKMRQY-UHFFFAOYSA-N	-1	0	271.317	0.185	20	30		CCEDRM
C=CCCCS(=O)(=O)Nc1ccncc1C(=O)[O-]	ZINC001588805755	984256132	/nfs/dbraw/zinc/25/61/32/984256132.db2.gz	NDLNKGIZXGGGAU-UHFFFAOYSA-N	-1	0	270.310	0.910	20	30		CCEDRM
C=CCCO[C@H](C)C(=O)N1CCN(CC(=O)[O-])CC1	ZINC001588808992	984264773	/nfs/dbraw/zinc/26/47/73/984264773.db2.gz	UUKXVCCEWGDVQG-LLVKDONJSA-N	-1	0	270.329	0.196	20	30		CCEDRM
C=CCCOCC(=O)N[C@@](CC)(COC)C(=O)[O-]	ZINC001588810352	984266294	/nfs/dbraw/zinc/26/62/94/984266294.db2.gz	KKTPGZHCRAXSJH-LBPRGKRZSA-N	-1	0	259.302	0.575	20	30		CCEDRM
C=CCCOCCN1C(=O)[C@H]2CC[C@@H](C(=O)[O-])CN2C1=O	ZINC001588810436	984267121	/nfs/dbraw/zinc/26/71/21/984267121.db2.gz	QMADKNRIPLQISV-GHMZBOCLSA-N	-1	0	296.323	0.707	20	30		CCEDRM
CCOC(=O)[C@H](C(=O)N(CC#N)CC(=O)[O-])C(C)C	ZINC001596509203	984269359	/nfs/dbraw/zinc/26/93/59/984269359.db2.gz	CXDVNQLIAFLYJG-JTQLQIEISA-N	-1	0	270.285	0.258	20	30		CCEDRM
C=CCN1CC[C@H](N(C)C(=O)[C@@H](CC)C(=O)[O-])C1=O	ZINC001588836627	984328934	/nfs/dbraw/zinc/32/89/34/984328934.db2.gz	CURLHWXOLHHAMD-ZJUUUORDSA-N	-1	0	268.313	0.343	20	30		CCEDRM
C=CCNC(=O)[C@@H](C)OC(=O)c1cccc(C(=O)[O-])n1	ZINC001588838146	984335756	/nfs/dbraw/zinc/33/57/56/984335756.db2.gz	AFCCGIPBPRKVGY-MRVPVSSYSA-N	-1	0	278.264	0.627	20	30		CCEDRM
C=CCN1CC[C@@H](N(C)c2cc(C(=O)[O-])ncn2)C1=O	ZINC001588838809	984341797	/nfs/dbraw/zinc/34/17/97/984341797.db2.gz	KLCASLFIBCAONK-SNVBAGLBSA-N	-1	0	276.296	0.398	20	30		CCEDRM
C=CCN1CC[C@H](N2CC[C@H](C)C[C@@H]2C(=O)[O-])C1=O	ZINC001588838887	984342868	/nfs/dbraw/zinc/34/28/68/984342868.db2.gz	MAEHUGPPNVELLH-SDDRHHMPSA-N	-1	0	266.341	0.958	20	30		CCEDRM
C=CCN1CC[C@H](N[C@@H](C(=O)[O-])c2cccc(O)c2)C1=O	ZINC001588839060	984344180	/nfs/dbraw/zinc/34/41/80/984344180.db2.gz	NULUAIGGYVYYOV-QWHCGFSZSA-N	-1	0	290.319	0.894	20	30		CCEDRM
C=CCNC(=O)Cc1noc(-c2ccc(C(=O)[O-])o2)n1	ZINC001588844509	984358956	/nfs/dbraw/zinc/35/89/56/984358956.db2.gz	JULGXIAROGPTCM-UHFFFAOYSA-N	-1	0	277.236	0.873	20	30		CCEDRM
C=CCNc1ncc(C(=O)N[C@@H](CCOC)C(=O)[O-])s1	ZINC001588849243	984369814	/nfs/dbraw/zinc/36/98/14/984369814.db2.gz	FUPGOCYCXKZEEC-QMMMGPOBSA-N	-1	0	299.352	0.961	20	30		CCEDRM
C=CCOC[C@@H](NC(=O)C(=O)c1cccc(C)c1)C(=O)[O-]	ZINC001588850932	984381300	/nfs/dbraw/zinc/38/13/00/984381300.db2.gz	KRFGSSZWHFHADM-GFCCVEGCSA-N	-1	0	291.303	0.950	20	30		CCEDRM
C=CCOC[C@H](NC(=O)Cc1ncccc1F)C(=O)[O-]	ZINC001588856691	984401507	/nfs/dbraw/zinc/40/15/07/984401507.db2.gz	OWRAWXBVFIJQCO-NSHDSACASA-N	-1	0	282.271	0.535	20	30		CCEDRM
C=CCOC[C@@H](NC(=O)Cc1ccc(C#N)nc1)C(=O)[O-]	ZINC001588856808	984402009	/nfs/dbraw/zinc/40/20/09/984402009.db2.gz	QGNNBTVABJVSQZ-GFCCVEGCSA-N	-1	0	289.291	0.268	20	30		CCEDRM
C=CCOC[C@H](NC(=O)c1cc(C(=O)OC)co1)C(=O)[O-]	ZINC001588859480	984406017	/nfs/dbraw/zinc/40/60/17/984406017.db2.gz	NAAMWTTXLRAYRO-VIFPVBQESA-N	-1	0	297.263	0.452	20	30		CCEDRM
C=CCOC[C@H](NC(=O)c1cnc(C2CC2)nc1)C(=O)[O-]	ZINC001588859998	984410190	/nfs/dbraw/zinc/41/01/90/984410190.db2.gz	FEDUINHVIUWGJG-NSHDSACASA-N	-1	0	291.307	0.740	20	30		CCEDRM
C=CCOC[C@H](NC(=O)c1ccc(=O)[nH]c1)C(=O)[O-]	ZINC001588861400	984415475	/nfs/dbraw/zinc/41/54/75/984415475.db2.gz	HYMTUMNXEJYTAN-VIFPVBQESA-N	-1	0	266.253	0.173	20	30		CCEDRM
C=CCOC[C@H](NC(=O)c1ccc([N+](=O)[O-])o1)C(=O)[O-]	ZINC001588861795	984416435	/nfs/dbraw/zinc/41/64/35/984416435.db2.gz	MNFHMLYCDXETKZ-ZETCQYMHSA-N	-1	0	284.224	0.573	20	30		CCEDRM
C=CCS(=O)(=O)CCNC(=O)[C@H]1CC[C@@H](C(=O)[O-])C1	ZINC001588878850	984455584	/nfs/dbraw/zinc/45/55/84/984455584.db2.gz	LQMVUGUKAGYNFT-VHSXEESVSA-N	-1	0	289.353	0.204	20	30		CCEDRM
C=CCn1c(CCOC)nnc1N1CC[C@@H](C(=O)[O-])C1	ZINC001588901616	984524691	/nfs/dbraw/zinc/52/46/91/984524691.db2.gz	XDFJMKVQTIWBLB-SNVBAGLBSA-N	-1	0	280.328	0.564	20	30		CCEDRM
C=CCn1cc(CNC(=O)c2cccc(C(=O)[O-])n2)nn1	ZINC001588909352	984543523	/nfs/dbraw/zinc/54/35/23/984543523.db2.gz	QPQXTLBSYNVKIB-UHFFFAOYSA-N	-1	0	287.279	0.487	20	30		CCEDRM
C=CCn1nnnc1N1CC[C@@](C(=O)[O-])(C(F)(F)F)C1	ZINC001588912395	984551509	/nfs/dbraw/zinc/55/15/09/984551509.db2.gz	IOIUBBTYAZZIBA-SECBINFHSA-N	-1	0	291.233	0.703	20	30		CCEDRM
C=C[C@@H]1OCC[C@H]1C(=O)N[C@]1(CC(=O)[O-])CCOC1	ZINC001588916536	984561687	/nfs/dbraw/zinc/56/16/87/984561687.db2.gz	QYYQKXSIISUBKR-NRUUGDAUSA-N	-1	0	269.297	0.328	20	30		CCEDRM
C=C[C@@H]1OCC[C@H]1NS(=O)(=O)c1occc1C(=O)[O-]	ZINC001588919441	984572285	/nfs/dbraw/zinc/57/22/85/984572285.db2.gz	AANBFOURFLCPQP-BDAKNGLRSA-N	-1	0	287.293	0.600	20	30		CCEDRM
C=C[C@@H]1OCC[C@H]1NS(=O)(=O)CC1(C(=O)[O-])CC1	ZINC001588919656	984573277	/nfs/dbraw/zinc/57/32/77/984573277.db2.gz	HCTRYVKIKRQBSQ-BDAKNGLRSA-N	-1	0	275.326	0.114	20	30		CCEDRM
CC#CC[C@H]([NH2+]Cc1cc(C(=O)[O-])n(C)c1)C(=O)[O-]	ZINC001588925660	984588331	/nfs/dbraw/zinc/58/83/31/984588331.db2.gz	URFIITOKUJZCNB-JTQLQIEISA-N	-1	0	264.281	0.680	20	30		CCEDRM
CC#CC(=O)N[C@@H]1CCN(c2sccc2C(=O)[O-])C1=O	ZINC001588926363	984593246	/nfs/dbraw/zinc/59/32/46/984593246.db2.gz	UCOBFWYWYJNEFQ-SECBINFHSA-N	-1	0	292.316	0.691	20	30		CCEDRM
CC#CC[C@@H](CO)NC(=O)c1ccnc(C(=O)[O-])c1	ZINC001588926437	984593921	/nfs/dbraw/zinc/59/39/21/984593921.db2.gz	YAZNQKRVKRKMKP-JTQLQIEISA-N	-1	0	262.265	0.284	20	30		CCEDRM
C/C(=C\Cn1c(=O)c(C#N)c(C)n(C2CC2)c1=O)C(=O)[O-]	ZINC001588990615	984910560	/nfs/dbraw/zinc/91/05/60/984910560.db2.gz	BUJSWWCEPAXDKY-VMPITWQZSA-N	-1	0	289.291	0.556	20	30		CCEDRM
CC(=NN1CC(=O)N(C)C1=O)c1cncc(C(=O)[O-])c1	ZINC001589011114	984986443	/nfs/dbraw/zinc/98/64/43/984986443.db2.gz	PLSIUAPSZBMMHV-UHFFFAOYSA-N	-1	0	276.252	0.398	20	30		CCEDRM
Cc1[nH]c(C#N)cc1C(=O)OCC(=O)CCC(=O)[O-]	ZINC001599942888	985476962	/nfs/dbraw/zinc/47/69/62/985476962.db2.gz	VVZHEXJDJOREOM-UHFFFAOYSA-N	-1	0	264.237	0.786	20	30		CCEDRM
C[C@](C#N)(NC(=O)CN1CCC(CC(=O)[O-])CC1)C1CC1	ZINC001589323717	986149052	/nfs/dbraw/zinc/14/90/52/986149052.db2.gz	KTBSVCDRRKMWSM-OAHLLOKOSA-N	-1	0	293.367	0.982	20	30		CCEDRM
C[C@@H](C#N)C(=O)N[C@H](Cc1ccccc1O)C(=O)[O-]	ZINC001589328956	986159959	/nfs/dbraw/zinc/15/99/59/986159959.db2.gz	HCXADXYHDMHFOV-WCBMZHEXSA-N	-1	0	262.265	0.664	20	30		CCEDRM
C[C@H](C#N)CN(C)C(=O)Cn1cccc(C(=O)[O-])c1=O	ZINC001589329584	986164716	/nfs/dbraw/zinc/16/47/16/986164716.db2.gz	PXLUVNFIAFAVGS-SECBINFHSA-N	-1	0	277.280	0.165	20	30		CCEDRM
CCO[C@H]1C[C@H](NC(=O)N2CCC(C#N)(C(=O)[O-])CC2)C1	ZINC001596986167	986245006	/nfs/dbraw/zinc/24/50/06/986245006.db2.gz	CNDNMFHNADJNEU-XYPYZODXSA-N	-1	0	295.339	0.954	20	30		CCEDRM
C[C@@H]1CN(c2ncc(C(=O)[O-])cn2)C[C@H](C)N1CC#N	ZINC001594583688	986451154	/nfs/dbraw/zinc/45/11/54/986451154.db2.gz	MPGFQINCEHSESU-AOOOYVTPSA-N	-1	0	275.312	0.597	20	30		CCEDRM
C[C@H](C(=O)NCC(=O)[O-])N1CCC[C@H](CC#N)C1	ZINC001589396653	986525113	/nfs/dbraw/zinc/52/51/13/986525113.db2.gz	IYGRSLFYEFUVIH-NXEZZACHSA-N	-1	0	253.302	0.201	20	30		CCEDRM
CCOc1ccc(C(=O)[O-])cc1S(=O)(=O)NCCC#N	ZINC001597068022	986574866	/nfs/dbraw/zinc/57/48/66/986574866.db2.gz	NWSJLGHMMHVFPG-UHFFFAOYSA-N	-1	0	298.320	0.975	20	30		CCEDRM
C[C@@H]1Cc2cn[nH]c2[C@H](C(=O)N(CC#N)CC(=O)[O-])C1	ZINC001594623435	986675617	/nfs/dbraw/zinc/67/56/17/986675617.db2.gz	CLTPXBKOXPFPAF-PSASIEDQSA-N	-1	0	276.296	0.512	20	30		CCEDRM
C[C@H](C(=O)OCc1ccc(C(=O)[O-])o1)n1cnc(C#N)n1	ZINC001589548350	987275599	/nfs/dbraw/zinc/27/55/99/987275599.db2.gz	ZZABDLPGZYQJTO-SSDOTTSWSA-N	-1	0	290.235	0.745	20	30		CCEDRM
CC(C)(C#N)CN1C(=O)[C@@H]2CC[C@@H](C(=O)[O-])CN2C1=O	ZINC001589554613	987302064	/nfs/dbraw/zinc/30/20/64/987302064.db2.gz	GQNCELOMKOWRQL-BDAKNGLRSA-N	-1	0	279.296	0.664	20	30		CCEDRM
CC(C)(C#N)CS(=O)(=O)N1CCSC[C@@H]1C(=O)[O-]	ZINC001589559049	987312123	/nfs/dbraw/zinc/31/21/23/987312123.db2.gz	WXGVQDVPUFKSRY-MRVPVSSYSA-N	-1	0	292.382	0.368	20	30		CCEDRM
CC(C)(C)OC(=O)N1C[C@H](C#N)[C@H](NC(=O)CC(=O)[O-])C1	ZINC001589910074	988643009	/nfs/dbraw/zinc/64/30/09/988643009.db2.gz	VBERCQWNLVGZNK-DTWKUNHWSA-N	-1	0	297.311	0.336	20	30		CCEDRM
CCc1nc(C#N)cc(NC[C@@H](O)CC(=O)[O-])n1	ZINC001597646921	988670705	/nfs/dbraw/zinc/67/07/05/988670705.db2.gz	MTYKMWGUWADLKF-QMMMGPOBSA-N	-1	0	250.258	0.158	20	30		CCEDRM
C[C@@H](O)[C@H](NC(=O)[C@@]1(C#N)CC2CCC1CC2)C(=O)[O-]	ZINC001599844387	988907652	/nfs/dbraw/zinc/90/76/52/988907652.db2.gz	WHQICGMAGSNECJ-NOWNGZSWSA-N	-1	0	280.324	0.657	20	30		CCEDRM
C[C@@H]1CN(C(=O)[C@@]2(C#N)CCCOC2)C[C@H]1C(=O)[O-]	ZINC001599853164	989046120	/nfs/dbraw/zinc/04/61/20/989046120.db2.gz	XAMBIEJHLVXPDO-GIPNMCIBSA-N	-1	0	266.297	0.486	20	30		CCEDRM
CCc1nnc(N2CC[C@](O)(C(=O)[O-])C2)c(C#N)c1CC	ZINC001597733713	989058631	/nfs/dbraw/zinc/05/86/31/989058631.db2.gz	JBUYEHWYBOOHIF-CQSZACIVSA-N	-1	0	290.323	0.499	20	30		CCEDRM
CCc1nnc(N2CC[C@@](O)(C(=O)[O-])C2)c(C#N)c1CC	ZINC001597733710	989058750	/nfs/dbraw/zinc/05/87/50/989058750.db2.gz	JBUYEHWYBOOHIF-AWEZNQCLSA-N	-1	0	290.323	0.499	20	30		CCEDRM
CCc1noc(C)c1C(=O)N(CC#N)CCC(=O)[O-]	ZINC001597741313	989097565	/nfs/dbraw/zinc/09/75/65/989097565.db2.gz	YOAHYQYRXFDBNO-UHFFFAOYSA-N	-1	0	265.269	0.986	20	30		CCEDRM
C[C@@H]1C[C@H](C(=O)N[C@@H](CC#N)C(F)(F)F)O[C@H]1C(=O)[O-]	ZINC001599873348	989383506	/nfs/dbraw/zinc/38/35/06/989383506.db2.gz	BDXMDOLOYRGILV-OOJXKGFFSA-N	-1	0	294.229	0.825	20	30		CCEDRM
C[C@@H]1C[C@H](C(=O)N[C@]2(C#N)CC2(C)C)O[C@H]1C(=O)[O-]	ZINC001599874111	989395151	/nfs/dbraw/zinc/39/51/51/989395151.db2.gz	UMDLOSFUOYCEPW-LHGDZMGGSA-N	-1	0	266.297	0.673	20	30		CCEDRM
CN(C(=O)Cn1ccc(C(=O)[O-])n1)[C@H]1CCC[C@H]1C#N	ZINC001598041329	990274700	/nfs/dbraw/zinc/27/47/00/990274700.db2.gz	NAOQLSKQXJTGET-ONGXEEELSA-N	-1	0	276.296	0.732	20	30		CCEDRM
CC(C)(CC#N)CS(=O)(=O)NC1(C(=O)[O-])CCC1	ZINC001590616871	990294523	/nfs/dbraw/zinc/29/45/23/990294523.db2.gz	RSKGLWRWYQQBAW-UHFFFAOYSA-N	-1	0	274.342	0.853	20	30		CCEDRM
CC(C)[C@](C)(C#N)NC(=O)CN1C[C@@H](C)O[C@H](C(=O)[O-])C1	ZINC001590960411	991051549	/nfs/dbraw/zinc/05/15/49/991051549.db2.gz	DGGIGXLRLZMRIP-SUNKGSAMSA-N	-1	0	297.355	0.215	20	30		CCEDRM
CN(CC#N)S(=O)(=O)c1cc(F)cc(C(=O)[O-])c1F	ZINC001598376623	991567529	/nfs/dbraw/zinc/56/75/29/991567529.db2.gz	YEJLYMOVWUJRHG-UHFFFAOYSA-N	-1	0	290.247	0.807	20	30		CCEDRM
CN(CC(=O)NC1CC1)[C@H](C(=O)[O-])c1cccc(C#N)c1	ZINC001598386461	991606722	/nfs/dbraw/zinc/60/67/22/991606722.db2.gz	GILSESWTZGTTLI-AWEZNQCLSA-N	-1	0	287.319	0.894	20	30		CCEDRM
CN(CC(=O)NCCC(=O)[O-])Cc1cc(C#N)cs1	ZINC001598391831	991635199	/nfs/dbraw/zinc/63/51/99/991635199.db2.gz	QOMOYDZUHLTSRO-UHFFFAOYSA-N	-1	0	281.337	0.642	20	30		CCEDRM
CC(C)C[C@@H](NC(=O)Cn1cc(C#N)cn1)C(=O)[O-]	ZINC001591178851	991978220	/nfs/dbraw/zinc/97/82/20/991978220.db2.gz	VTAYBSKZLAHFHN-SNVBAGLBSA-N	-1	0	264.285	0.370	20	30		CCEDRM
CC(C)C[C@H](NC(=O)CNC(=O)[C@H](C)CC#N)C(=O)[O-]	ZINC001591453782	992560400	/nfs/dbraw/zinc/56/04/00/992560400.db2.gz	RCHPGOKKKGCREE-ZJUUUORDSA-N	-1	0	283.328	0.268	20	30		CCEDRM
COc1ccc(O)c(/C=N\CCC(=O)NCCC(=O)[O-])c1	ZINC001599599012	993788896	/nfs/dbraw/zinc/78/88/96/993788896.db2.gz	ZNSSRBWFZKKFCT-DHDCSXOGSA-N	-1	0	294.307	0.801	20	30		CCEDRM
CNC(=O)[C@H](C#N)C(=O)Cc1ccccc1C(=O)[O-]	ZINC001598630408	994165542	/nfs/dbraw/zinc/16/55/42/994165542.db2.gz	LKUVADPGYBBXQP-SNVBAGLBSA-N	-1	0	260.249	0.382	20	30		CCEDRM
CNC(=O)N[C@H]1CCN(c2ccc(C(=O)[O-])nc2C#N)C1	ZINC001598653561	994484142	/nfs/dbraw/zinc/48/41/42/994484142.db2.gz	UNZZCJUGLOSIKW-QMMMGPOBSA-N	-1	0	289.295	0.159	20	30		CCEDRM
COC(=O)[C@H]1CC[C@@H](C(=O)[O-])N(Cc2ccc(C#N)o2)C1	ZINC001598775811	995928733	/nfs/dbraw/zinc/92/87/33/995928733.db2.gz	JDKVGGFFCHKJAQ-CABZTGNLSA-N	-1	0	292.291	0.989	20	30		CCEDRM
C[C@]1(C#N)CCN(C(=O)CN2CCC[C@@H](C(=O)[O-])C2=O)C1	ZINC001593742657	996361988	/nfs/dbraw/zinc/36/19/88/996361988.db2.gz	CPTFKKPUTBWJEX-QMTHXVAHSA-N	-1	0	293.323	0.072	20	30		CCEDRM
COC(=O)[C@@H]1CN(c2cc(C#N)cc(C)n2)C[C@@H]1C(=O)[O-]	ZINC001598828355	996408858	/nfs/dbraw/zinc/40/88/58/996408858.db2.gz	QYFFFFHHJNZCIE-WDEREUQCSA-N	-1	0	289.291	0.572	20	30		CCEDRM
COC(=O)CN(CC#N)C(=O)Cc1cccc(C(=O)[O-])c1	ZINC001598860425	996670267	/nfs/dbraw/zinc/67/02/67/996670267.db2.gz	ABQJAHRYJBTZBL-UHFFFAOYSA-N	-1	0	290.275	0.452	20	30		CCEDRM
COC(=O)CN(CC(=O)[O-])C(=O)c1cc(C#N)ccc1C	ZINC001598861264	996676846	/nfs/dbraw/zinc/67/68/46/996676846.db2.gz	YQFPPJQGMUALMM-UHFFFAOYSA-N	-1	0	290.275	0.567	20	30		CCEDRM
COC(=O)CN(CC(=O)[O-])Cc1cc(C#N)cs1	ZINC001598861714	996680596	/nfs/dbraw/zinc/68/05/96/996680596.db2.gz	NJSMBCBNRPYNMO-UHFFFAOYSA-N	-1	0	268.294	0.679	20	30		CCEDRM
CC1(C)CCCN(CN2C[C@H](C(=O)[O-])CC2=O)[C@@H]1C#N	ZINC001593910490	996793511	/nfs/dbraw/zinc/79/35/11/996793511.db2.gz	VRJPKAFTIZFECW-GHMZBOCLSA-N	-1	0	279.340	0.891	20	30		CCEDRM
COC(=O)[C@@H](CCC(=O)[O-])NC(=O)[C@@H](C)CC#N	ZINC001598891953	997009192	/nfs/dbraw/zinc/00/91/92/997009192.db2.gz	XQRWKGMGTSZCHX-JGVFFNPUSA-N	-1	0	256.258	0.059	20	30		CCEDRM
COC(=O)[C@@H](CCC(=O)[O-])NC(=O)c1ccc(C#N)[nH]1	ZINC001598892484	997017866	/nfs/dbraw/zinc/01/78/66/997017866.db2.gz	QVUJSZSZUUJBAA-SECBINFHSA-N	-1	0	279.252	0.023	20	30		CCEDRM
COC1([C@H](C(=O)[O-])N2CC[C@@](F)(C#N)C2)CCC1	ZINC001599083922	997060901	/nfs/dbraw/zinc/06/09/01/997060901.db2.gz	ZJYRLFMTLYPEAQ-GXSJLCMTSA-N	-1	0	256.277	0.946	20	30		CCEDRM
CO[C@@H]1CCC[C@H]([C@@H](NC(=O)[C@@H](C)C#N)C(=O)[O-])C1	ZINC001599107538	997505498	/nfs/dbraw/zinc/50/54/98/997505498.db2.gz	VTPJQTOTUDLAOS-UKKRHICBSA-N	-1	0	268.313	0.921	20	30		CCEDRM
CON=CC(=O)N1CC[C@](C(=O)[O-])(C(F)(F)F)C1	ZINC001599320539	997573142	/nfs/dbraw/zinc/57/31/42/997573142.db2.gz	PYPFMWGOVYQEEQ-QMMMGPOBSA-N	-1	0	268.191	0.484	20	30		CCEDRM
COCC[C@H](NC(=O)c1ccccc1CC#N)C(=O)[O-]	ZINC001599218009	997616321	/nfs/dbraw/zinc/61/63/21/997616321.db2.gz	YMNPWYJMXZOABA-LBPRGKRZSA-N	-1	0	276.292	0.972	20	30		CCEDRM
CO[C@H]1C[C@@H](CNC(=O)N2CCC(C#N)(C(=O)[O-])CC2)C1	ZINC001599325719	997660658	/nfs/dbraw/zinc/66/06/58/997660658.db2.gz	GRPUWFHNTKATIF-PHIMTYICSA-N	-1	0	295.339	0.811	20	30		CCEDRM
CO[C@@H]1CCN(C(=O)C#CC2CC2)[C@@H](C(=O)[O-])C1	ZINC001599116585	997664064	/nfs/dbraw/zinc/66/40/64/997664064.db2.gz	KEBMPODGMICXFP-GHMZBOCLSA-N	-1	0	251.282	0.490	20	30		CCEDRM
COc1c(C(=O)[O-])ncnc1N1CC[C@@](O)(CC#N)C1	ZINC001599332392	997770090	/nfs/dbraw/zinc/77/00/90/997770090.db2.gz	FYGOKTGMEWXFIX-LBPRGKRZSA-N	-1	0	278.268	0.038	20	30		CCEDRM
COCCN(CC(=O)[O-])C(=O)c1cc(C#N)ccc1F	ZINC001599234196	997917133	/nfs/dbraw/zinc/91/71/33/997917133.db2.gz	RHEOPLMWFHZKAI-UHFFFAOYSA-N	-1	0	280.255	0.871	20	30		CCEDRM
COc1cc(C(=O)N2CCC(C#N)(C(=O)[O-])CC2)nn1C	ZINC001599351837	998108082	/nfs/dbraw/zinc/10/80/82/998108082.db2.gz	HNBKCCMDLGXEBW-UHFFFAOYSA-N	-1	0	292.295	0.259	20	30		CCEDRM
COC[C@@](C)(CC(=O)[O-])NC(=O)c1ccc(C#N)o1	ZINC001599147069	998231469	/nfs/dbraw/zinc/23/14/69/998231469.db2.gz	CPBNCDQOGVSKDJ-GFCCVEGCSA-N	-1	0	266.253	0.761	20	30		CCEDRM
COCCOc1cc(C(=O)[O-])ccc1NC(=O)C=NOC	ZINC001599253636	998275082	/nfs/dbraw/zinc/27/50/82/998275082.db2.gz	KAHOPFQBAKFHQP-UHFFFAOYSA-N	-1	0	296.279	0.981	20	30		CCEDRM
COC[C@](C)(CC(=O)[O-])NC(=O)c1cccc(C#N)n1	ZINC001599149840	998276759	/nfs/dbraw/zinc/27/67/59/998276759.db2.gz	JWSVFTQHGURUEW-ZDUSSCGKSA-N	-1	0	277.280	0.563	20	30		CCEDRM
COC(=O)c1ccc(CN(CC#N)CCC(=O)[O-])nc1	ZINC001598971290	998518850	/nfs/dbraw/zinc/51/88/50/998518850.db2.gz	APINPOUIMDOHPM-UHFFFAOYSA-N	-1	0	277.280	0.668	20	30		CCEDRM
C[C@H]1[C@@H](C(=O)[O-])CCN1Cn1cccc(C#N)c1=O	ZINC001594166749	998634875	/nfs/dbraw/zinc/63/48/75/998634875.db2.gz	BHZGNIUNRGQELQ-ONGXEEELSA-N	-1	0	261.281	0.472	20	30		CCEDRM
COC(=O)c1cccc(CC(=O)N(CC#N)CC(=O)[O-])c1	ZINC001598992749	998752578	/nfs/dbraw/zinc/75/25/78/998752578.db2.gz	GKAVZJCBVULPTF-UHFFFAOYSA-N	-1	0	290.275	0.452	20	30		CCEDRM
CO[C@@H](C(=O)N(CC#N)CCC(=O)[O-])C1CCC1	ZINC001599024473	999006720	/nfs/dbraw/zinc/00/67/20/999006720.db2.gz	IBVSORNDCQXQNM-LLVKDONJSA-N	-1	0	254.286	0.628	20	30		CCEDRM
CO[C@@]1(C(=O)[O-])CCN(C(=O)N[C@@H]2CC[C@H](C#N)C2)C1	ZINC001599069429	999321290	/nfs/dbraw/zinc/32/12/90/999321290.db2.gz	AEQJKPMVHOTGCO-CWSCBRNRSA-N	-1	0	281.312	0.564	20	30		CCEDRM
CO[C@]1(C(=O)[O-])CCN(C(=O)c2ccc(C#N)c(C)n2)C1	ZINC001599073047	999346974	/nfs/dbraw/zinc/34/69/74/999346974.db2.gz	DWPSYBBSOPQRDD-CQSZACIVSA-N	-1	0	289.291	0.577	20	30		CCEDRM
N#Cc1c[nH]nc1[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-]	ZINC000093337304	349539514	/nfs/dbraw/zinc/53/95/14/349539514.db2.gz	ISXILOGHFAPXEC-UHFFFAOYSA-N	-1	0	293.264	0.990	20	30		CCEDRM
N#Cc1c[nH]nc1[N-]S(=O)(=O)c1cccc2c1OCO2	ZINC000337788593	214262782	/nfs/dbraw/zinc/26/27/82/214262782.db2.gz	ZFOGCFPUARKAIR-UHFFFAOYSA-N	-1	0	292.276	0.811	20	30		CCEDRM
C=CCCNC(=O)c1cc(S(=O)(=O)N(C)C)ccc1[O-]	ZINC000617617696	365691754	/nfs/dbraw/zinc/69/17/54/365691754.db2.gz	QMQWZOFHZRHJSF-UHFFFAOYSA-N	-1	0	298.364	0.948	20	30		CCEDRM
CO[C@H]1CN(S(=O)(=O)CCCC#N)[C@@](C)(C(=O)[O-])C1	ZINC000600659320	362027089	/nfs/dbraw/zinc/02/70/89/362027089.db2.gz	OETQMEWUUJQMTP-MWLCHTKSSA-N	-1	0	290.341	0.184	20	30		CCEDRM
N#CCc1cccc2c1CCN(C(=O)c1n[nH]c(=O)[n-]1)C2	ZINC000600839167	362077500	/nfs/dbraw/zinc/07/75/00/362077500.db2.gz	WGPWVOHUPHUMKH-UHFFFAOYSA-N	-1	0	283.291	0.775	20	30		CCEDRM
COC[C@@H](NC(=O)c1cccc(CC#N)c1)C(=O)[O-]	ZINC000600870513	362082937	/nfs/dbraw/zinc/08/29/37/362082937.db2.gz	VSQPOFPGOQGKNJ-LLVKDONJSA-N	-1	0	262.265	0.582	20	30		CCEDRM
CC1(C)CN(S(=O)(=O)CC2(CC#N)CC2)[C@H]1C(=O)[O-]	ZINC000600892686	362090786	/nfs/dbraw/zinc/09/07/86/362090786.db2.gz	YELDPSGXOSSCPW-VIFPVBQESA-N	-1	0	286.353	0.805	20	30		CCEDRM
CCc1n[n-]c(=NC(=O)N[C@H]2[C@@H]3COC[C@@H]32)s1	ZINC000330302681	529693929	/nfs/dbraw/zinc/69/39/29/529693929.db2.gz	OQOKPLGIXHJLBW-BDINMYNLSA-N	-1	0	254.315	0.493	20	30		CCEDRM
CCn1nc(C)c(C(=O)N=c2[nH][n-]cc2C#N)c1C	ZINC000601641021	362337467	/nfs/dbraw/zinc/33/74/67/362337467.db2.gz	LOLFCMZUOHOIEZ-UHFFFAOYSA-N	-1	0	258.285	0.789	20	30		CCEDRM
C[C@H]1CCCN(C(=O)Cn2cc(C#N)c(=O)[n-]c2=O)[C@H]1C	ZINC000602107419	362492525	/nfs/dbraw/zinc/49/25/25/362492525.db2.gz	DHNXGAMVMVZCBB-UWVGGRQHSA-N	-1	0	290.323	0.468	20	30		CCEDRM
CC(C)CCN(C)C(=O)CCn1cc(C#N)c(=O)[n-]c1=O	ZINC000602055946	362469547	/nfs/dbraw/zinc/46/95/47/362469547.db2.gz	KQGCTUOSWVVJJL-UHFFFAOYSA-N	-1	0	292.339	0.715	20	30		CCEDRM
CCC(C)(C)N(C)C(=O)CCn1cc(C#N)c(=O)[n-]c1=O	ZINC000602102915	362489479	/nfs/dbraw/zinc/48/94/79/362489479.db2.gz	STYFQTCLGUHCIM-UHFFFAOYSA-N	-1	0	292.339	0.858	20	30		CCEDRM
C[C@@H]1CCN(C(=O)CCn2cc(C#N)c(=O)[n-]c2=O)[C@@H]1C	ZINC000602117534	362499323	/nfs/dbraw/zinc/49/93/23/362499323.db2.gz	SBZWRADFZRBLKD-NXEZZACHSA-N	-1	0	290.323	0.468	20	30		CCEDRM
CCCC[C@@H](C)N(C)C(=O)Cn1cc(C#N)c(=O)[n-]c1=O	ZINC000602153889	362529743	/nfs/dbraw/zinc/52/97/43/362529743.db2.gz	POBHATKXVCCKKS-SNVBAGLBSA-N	-1	0	292.339	0.858	20	30		CCEDRM
CC[C@@H](C)N(CC)C(=O)Cn1cc(C#N)c(=O)[n-]c1=O	ZINC000602179226	362545749	/nfs/dbraw/zinc/54/57/49/362545749.db2.gz	PWPPQDRIULHARS-SECBINFHSA-N	-1	0	278.312	0.468	20	30		CCEDRM
Cc1noc([C@H](C)[N-]S(=O)(=O)c2ccc(C#N)o2)n1	ZINC000344410242	137193255	/nfs/dbraw/zinc/19/32/55/137193255.db2.gz	PAGTVUGRPYNPMF-LURJTMIESA-N	-1	0	282.281	0.882	20	30		CCEDRM
Cc1[nH]nc([N-]S(=O)(=O)c2cnc3n2CCC3)c1C#N	ZINC000328614393	201963335	/nfs/dbraw/zinc/96/33/35/201963335.db2.gz	RBWIPXUSQJLREX-UHFFFAOYSA-N	-1	0	292.324	0.533	20	30		CCEDRM
CC[C@@H](NS(=O)(=O)c1ccccc1C#N)C(=O)[O-]	ZINC000035085822	348155049	/nfs/dbraw/zinc/15/50/49/348155049.db2.gz	NNHKGKRDPGDLKD-SECBINFHSA-N	-1	0	268.294	0.700	20	30		CCEDRM
C=CCOc1ccccc1C(=O)NCc1nnn[n-]1	ZINC000044927237	348327787	/nfs/dbraw/zinc/32/77/87/348327787.db2.gz	QEKGRYCLOVQPRV-UHFFFAOYSA-N	-1	0	259.269	0.695	20	30		CCEDRM
CC(C)c1nc(S(=O)(=O)[N-]c2nn(C)cc2C#N)c[nH]1	ZINC000123329730	350073796	/nfs/dbraw/zinc/07/37/96/350073796.db2.gz	MJXQPUWMKFGADO-UHFFFAOYSA-N	-1	0	294.340	0.939	20	30		CCEDRM
C[C@H](NC(=O)C(C)(C)C)C(=O)Nc1nc(C#N)c(C#N)[n-]1	ZINC000128229476	350188378	/nfs/dbraw/zinc/18/83/78/350188378.db2.gz	RDIZSHBLOYLANY-ZETCQYMHSA-N	-1	0	288.311	0.642	20	30		CCEDRM
N#Cc1cccc(S(=O)(=O)NC2(C(=O)[O-])CCC2)c1	ZINC000164943444	350784906	/nfs/dbraw/zinc/78/49/06/350784906.db2.gz	HGQBWYCMPSFOEZ-UHFFFAOYSA-N	-1	0	280.305	0.844	20	30		CCEDRM
N#C[C@H]1CN(C(=O)N[C@H]2CC[C@@H](C(=O)[O-])C2)CCO1	ZINC000226182686	352019753	/nfs/dbraw/zinc/01/97/53/352019753.db2.gz	IFZTXGVJUHXWNL-UTLUCORTSA-N	-1	0	267.285	0.174	20	30		CCEDRM
N#Cc1ccc(S(=O)(=O)N[C@H]2C=C[C@@H](C(=O)[O-])C2)s1	ZINC000230325804	352112123	/nfs/dbraw/zinc/11/21/23/352112123.db2.gz	PLMHCUOVEFRPLX-SFYZADRCSA-N	-1	0	298.345	0.927	20	30		CCEDRM
CC[C@H](C)N(CC(=O)[O-])S(=O)(=O)c1cccnc1C#N	ZINC000234021727	352154051	/nfs/dbraw/zinc/15/40/51/352154051.db2.gz	MEWBHYCMFPHWLB-VIFPVBQESA-N	-1	0	297.336	0.827	20	30		CCEDRM
CCC(=O)N[C@@H](C)C(=O)Nc1nc(C#N)c(C#N)[n-]1	ZINC000604437799	363196250	/nfs/dbraw/zinc/19/62/50/363196250.db2.gz	HXRPREIUJHKBBU-LURJTMIESA-N	-1	0	260.257	0.006	20	30		CCEDRM
Cc1nnc(N2CCC(c3nc(=O)[n-][nH]3)CC2)c(C#N)c1C	ZINC000281023777	353388845	/nfs/dbraw/zinc/38/88/45/353388845.db2.gz	SNAIXLZRBUABMF-UHFFFAOYSA-N	-1	0	299.338	0.761	20	30		CCEDRM
C[C@H]1CC[C@@H](C(=O)[O-])N1S(=O)(=O)c1ccc(C#N)nc1	ZINC000283994350	353542248	/nfs/dbraw/zinc/54/22/48/353542248.db2.gz	OZABQJFYVIQNSY-KWQFWETISA-N	-1	0	295.320	0.579	20	30		CCEDRM
N#Cc1nccnc1N1CCC[C@H](c2nc(=O)[n-][nH]2)C1	ZINC000284541737	353555906	/nfs/dbraw/zinc/55/59/06/353555906.db2.gz	BCVOWRJWTTWQFX-QMMMGPOBSA-N	-1	0	271.284	0.144	20	30		CCEDRM
C[C@H](CC(=O)[O-])NS(=O)(=O)c1ccc(C#N)o1	ZINC000287079279	353625935	/nfs/dbraw/zinc/62/59/35/353625935.db2.gz	BZGAYTDLQAJNOR-ZCFIWIBFSA-N	-1	0	258.255	0.293	20	30		CCEDRM
CC(C)(CO)O[N-]C(=O)COc1ccc(C#N)cc1	ZINC000296758281	353958271	/nfs/dbraw/zinc/95/82/71/353958271.db2.gz	BUYFDRYUESOURH-UHFFFAOYSA-N	-1	0	264.281	0.756	20	30		CCEDRM
CCOC(=O)[C@H](C)[C@@H](C)NC(=O)N=c1[n-]n(C)cc1C#N	ZINC000619203983	366216236	/nfs/dbraw/zinc/21/62/36/366216236.db2.gz	MSEUQIGLPUXKSG-RKDXNWHRSA-N	-1	0	293.327	0.423	20	30		CCEDRM
Cn1cc([N-]S(=O)(=O)c2ccc(C#N)o2)nn1	ZINC000359463724	137950858	/nfs/dbraw/zinc/95/08/58/137950858.db2.gz	BIOAEROAXCNIDS-UHFFFAOYSA-N	-1	0	253.243	0.081	20	30		CCEDRM
Cn1cc([N-]S(=O)(=O)c2cccc(C#N)c2)nn1	ZINC000359469026	137951313	/nfs/dbraw/zinc/95/13/13/137951313.db2.gz	RHBIZNRKTDIWPZ-UHFFFAOYSA-N	-1	0	263.282	0.488	20	30		CCEDRM
C[C@@H](Oc1ccccc1C#N)C(=O)NCc1n[n-]c(=N)o1	ZINC000354832166	356508336	/nfs/dbraw/zinc/50/83/36/356508336.db2.gz	BXFMZQDLCPJCFT-MRVPVSSYSA-N	-1	0	287.279	0.438	20	30		CCEDRM
C[C@H](CC(=O)[O-])NS(=O)(=O)c1cccc(CC#N)c1	ZINC000619470135	366265019	/nfs/dbraw/zinc/26/50/19/366265019.db2.gz	NELMCUWPTPKZRO-SECBINFHSA-N	-1	0	282.321	0.894	20	30		CCEDRM
C[C@@H](C(=O)[O-])[C@H](C)NS(=O)(=O)c1ccc(C#N)o1	ZINC000560481741	291104453	/nfs/dbraw/zinc/10/44/53/291104453.db2.gz	SQGULSKWKHVNTN-RQJHMYQMSA-N	-1	0	272.282	0.539	20	30		CCEDRM
C=CCN(CCOC)C(=O)N=c1ccc(C(=O)OC)n[n-]1	ZINC000619628578	366304626	/nfs/dbraw/zinc/30/46/26/366304626.db2.gz	TUMMBKABVXICRK-UHFFFAOYSA-N	-1	0	294.311	0.351	20	30		CCEDRM
C=CCCO[C@H](C)C(=O)N=c1ccc(C(=O)OC)n[n-]1	ZINC000619601525	366293972	/nfs/dbraw/zinc/29/39/72/366293972.db2.gz	VTGVEGKPTNWHAV-SECBINFHSA-N	-1	0	279.296	0.605	20	30		CCEDRM
COCC1(C(=O)N=c2[nH][n-]c(C3CC3)c2C#N)CC1	ZINC000359724661	356879915	/nfs/dbraw/zinc/87/99/15/356879915.db2.gz	MOAXEFBDTSUHIU-UHFFFAOYSA-N	-1	0	260.297	0.946	20	30		CCEDRM
Cn1cc(C#N)c(=NC(=O)NCc2ccc3c(c2)OCO3)[n-]1	ZINC000610528218	363572626	/nfs/dbraw/zinc/57/26/26/363572626.db2.gz	WZVBHOLDJWLYNP-UHFFFAOYSA-N	-1	0	299.290	0.764	20	30		CCEDRM
Cn1ccc(CNC(=O)N=c2[n-]n(C)cc2C#N)c1	ZINC000610560395	363575021	/nfs/dbraw/zinc/57/50/21/363575021.db2.gz	BZCWNROLXDUQOU-UHFFFAOYSA-N	-1	0	258.285	0.374	20	30		CCEDRM
Cn1cc(C#N)c(=NC(=O)N[C@@H]2COc3ccccc3C2)[n-]1	ZINC000610561529	363576537	/nfs/dbraw/zinc/57/65/37/363576537.db2.gz	MENRWEWDZMHNMI-LBPRGKRZSA-N	-1	0	297.318	0.839	20	30		CCEDRM
C=CCOC[C@H](NC(=O)NCCc1cscn1)C(=O)[O-]	ZINC000684717582	545727415	/nfs/dbraw/zinc/72/74/15/545727415.db2.gz	IMZAFSGXBJBAPQ-JTQLQIEISA-N	-1	0	299.352	0.641	20	30		CCEDRM
CCn1cnc(S(=O)(=O)[N-]c2ncc(C#N)s2)c1	ZINC000610725101	363604297	/nfs/dbraw/zinc/60/42/97/363604297.db2.gz	FDBZXLFIZNYQPU-UHFFFAOYSA-N	-1	0	283.338	0.454	20	30		CCEDRM
CN(CCC#N)S(=O)(=O)N1CCC(CC(=O)[O-])CC1	ZINC000556778871	358553343	/nfs/dbraw/zinc/55/33/43/358553343.db2.gz	IZKQIGYCBVNGJT-UHFFFAOYSA-N	-1	0	289.357	0.263	20	30		CCEDRM
N#CC1(CS(=O)(=O)N2CCC(CC(=O)[O-])CC2)CC1	ZINC000556775199	358553367	/nfs/dbraw/zinc/55/33/67/358553367.db2.gz	LMJMFHZUGZYZHU-UHFFFAOYSA-N	-1	0	286.353	0.807	20	30		CCEDRM
CCN(C[C@@H](C)C#N)S(=O)(=O)NCC(C)(F)F	ZINC000559134354	358554881	/nfs/dbraw/zinc/55/48/81/358554881.db2.gz	WKSJIWPMEUCWJI-QMMMGPOBSA-N	-1	0	269.317	0.958	20	30		CCEDRM
CC[C@H](CCC(=O)[O-])NS(=O)(=O)N(C)C[C@@H](C)C#N	ZINC000563226609	358557285	/nfs/dbraw/zinc/55/72/85/358557285.db2.gz	PBWJCCYZQCMSJH-VHSXEESVSA-N	-1	0	291.373	0.556	20	30		CCEDRM
C[C@H]1CCN(S(=O)(=O)c2ccc(C#N)o2)C[C@H]1C(=O)[O-]	ZINC000573120257	358940514	/nfs/dbraw/zinc/94/05/14/358940514.db2.gz	JYGRYGHXGDJJMG-WCBMZHEXSA-N	-1	0	298.320	0.883	20	30		CCEDRM
N#CCCCCS(=O)(=O)NCCCCC(=O)[O-]	ZINC000584564823	359171251	/nfs/dbraw/zinc/17/12/51/359171251.db2.gz	IAGPCGSSPFMAFL-UHFFFAOYSA-N	-1	0	262.331	0.855	20	30		CCEDRM
Cn1cc(C#N)cc1C(=O)N=c1[n-]ncn1C1CC1	ZINC000586827559	359295227	/nfs/dbraw/zinc/29/52/27/359295227.db2.gz	SSLFYIGCNZQGIG-UHFFFAOYSA-N	-1	0	256.269	0.497	20	30		CCEDRM
N#Cc1cccc(C2(NC(=O)c3n[nH]c(=O)[n-]c3=O)CC2)c1	ZINC000586842301	359296321	/nfs/dbraw/zinc/29/63/21/359296321.db2.gz	XJPWLPCCVSFGNJ-UHFFFAOYSA-N	-1	0	297.274	0.574	20	30		CCEDRM
N#Cc1ccc(N2CCC[C@@H](c3n[nH]c(=O)[n-]3)C2)nn1	ZINC000585702033	359264661	/nfs/dbraw/zinc/26/46/61/359264661.db2.gz	UQEKIRYOQACVRY-MRVPVSSYSA-N	-1	0	271.284	0.556	20	30		CCEDRM
C[C@H]1CC[C@@H](C(=O)[O-])N1S(=O)(=O)N(C)CCC#N	ZINC000585742835	359270352	/nfs/dbraw/zinc/27/03/52/359270352.db2.gz	ZFDHWVZGZYXGCF-IUCAKERBSA-N	-1	0	275.330	0.014	20	30		CCEDRM
Cc1cnn([C@H]2CCN(C(=O)N=c3[n-]n(C)cc3C#N)C2)c1	ZINC000589332777	359378576	/nfs/dbraw/zinc/37/85/76/359378576.db2.gz	SFMVDVVSIFFSJT-LBPRGKRZSA-N	-1	0	299.338	0.698	20	30		CCEDRM
Cc1[n-][nH]c(=NC(=O)c2cc(C)nnc2C)c1C#N	ZINC000588715317	359333265	/nfs/dbraw/zinc/33/32/65/359333265.db2.gz	CBHQGQQTOVVLCY-UHFFFAOYSA-N	-1	0	256.269	0.671	20	30		CCEDRM
Cc1nn(C)cc1S(=O)(=O)[N-]c1ncc(C#N)s1	ZINC000588944227	359350774	/nfs/dbraw/zinc/35/07/74/359350774.db2.gz	UPPWQUWRCRUFHO-UHFFFAOYSA-N	-1	0	283.338	0.279	20	30		CCEDRM
Cc1c(S(=O)(=O)[N-]c2ncc(C#N)s2)cnn1C	ZINC000589976735	359414101	/nfs/dbraw/zinc/41/41/01/359414101.db2.gz	VJFPPHCUXUMZOV-UHFFFAOYSA-N	-1	0	283.338	0.279	20	30		CCEDRM
N#Cc1ccc(S(=O)(=O)N[C@H](C(=O)[O-])C2CC2)cc1F	ZINC000589973561	359414206	/nfs/dbraw/zinc/41/42/06/359414206.db2.gz	BATGBIYDOKGKOR-NSHDSACASA-N	-1	0	298.295	0.839	20	30		CCEDRM
CC#CC[C@@H](NS(=O)(=O)CC1CC(F)(F)C1)C(=O)[O-]	ZINC000296918695	200034034	/nfs/dbraw/zinc/03/40/34/200034034.db2.gz	KQCMLBQIAHXQFE-SECBINFHSA-N	-1	0	295.307	0.818	20	30		CCEDRM
CC#CC[C@@H](NS(=O)(=O)CCCCOC)C(=O)[O-]	ZINC000274929560	192845156	/nfs/dbraw/zinc/84/51/56/192845156.db2.gz	CDLJEEBGIADEMM-SNVBAGLBSA-N	-1	0	277.342	0.199	20	30		CCEDRM
N#CC1(CS(=O)(=O)N[C@H]2CC[C@@H](C(=O)[O-])C2)CC1	ZINC000592457204	359844366	/nfs/dbraw/zinc/84/43/66/359844366.db2.gz	ANZDOWXGSSEHHO-BDAKNGLRSA-N	-1	0	272.326	0.463	20	30		CCEDRM
C[C@H](CO)CCCNC(=O)N=c1[n-]n(C)cc1C#N	ZINC000611162113	363668443	/nfs/dbraw/zinc/66/84/43/363668443.db2.gz	WEGVZMJWLPBCHK-VIFPVBQESA-N	-1	0	265.317	0.244	20	30		CCEDRM
C[C@@H](C#N)CN(C)C(=O)C(=O)N1CCC(C)(C(=O)[O-])CC1	ZINC000592428617	359835905	/nfs/dbraw/zinc/83/59/05/359835905.db2.gz	HPABTJOBGOZUGP-JTQLQIEISA-N	-1	0	295.339	0.318	20	30		CCEDRM
CC[C@H](NC(=O)C(=O)Nc1cccc(C)c1C#N)C(=O)[O-]	ZINC000592423629	359836215	/nfs/dbraw/zinc/83/62/15/359836215.db2.gz	ATADGGZZMYFVRF-JTQLQIEISA-N	-1	0	289.291	0.785	20	30		CCEDRM
CCn1cc(S(=O)(=O)[N-]c2ncc(C#N)s2)nc1C	ZINC000611247419	363696828	/nfs/dbraw/zinc/69/68/28/363696828.db2.gz	PQECDOPEYYCNPA-UHFFFAOYSA-N	-1	0	297.365	0.762	20	30		CCEDRM
C[C@@H](C#N)CN(C)S(=O)(=O)N(CC(=O)[O-])CC1CC1	ZINC000593222699	360052821	/nfs/dbraw/zinc/05/28/21/360052821.db2.gz	ROSDKMZIOOUFJD-VIFPVBQESA-N	-1	0	289.357	0.119	20	30		CCEDRM
C[C@H](C#N)CN(C)S(=O)(=O)N1CC[C@H](C(=O)[O-])[C@H]1C	ZINC000593271266	360058710	/nfs/dbraw/zinc/05/87/10/360058710.db2.gz	GFPHRPPTEQUNRY-BBBLOLIVSA-N	-1	0	289.357	0.118	20	30		CCEDRM
N#Cc1sccc1S(=O)(=O)NC1(C(=O)[O-])CC1	ZINC000593271324	360058741	/nfs/dbraw/zinc/05/87/41/360058741.db2.gz	JRWYIQZARNMNOE-UHFFFAOYSA-N	-1	0	272.307	0.515	20	30		CCEDRM
N#Cc1ccc(S(=O)(=O)N(CC(=O)[O-])C2CCC2)cn1	ZINC000593944333	360221180	/nfs/dbraw/zinc/22/11/80/360221180.db2.gz	IWBYKXCOGPCOBH-UHFFFAOYSA-N	-1	0	295.320	0.581	20	30		CCEDRM
CO[C@@](C)(C(=O)[O-])C(=O)N1Cc2ccc(C#N)cc2C1	ZINC000594746984	360374611	/nfs/dbraw/zinc/37/46/11/360374611.db2.gz	DEFWVKWLJHTJGY-CQSZACIVSA-N	-1	0	274.276	0.890	20	30		CCEDRM
N#CCC1(CNC(=O)C(=O)NCC2(C(=O)[O-])CCC2)CC1	ZINC000595276930	360474154	/nfs/dbraw/zinc/47/41/54/360474154.db2.gz	YBJFCPQPUUOYLC-UHFFFAOYSA-N	-1	0	293.323	0.168	20	30		CCEDRM
CCN(CCC#N)C(=O)C(=O)Nc1cccnc1C(=O)[O-]	ZINC000595238492	360453800	/nfs/dbraw/zinc/45/38/00/360453800.db2.gz	UILLOFLQVYDQHN-UHFFFAOYSA-N	-1	0	290.279	0.480	20	30		CCEDRM
N#C[C@]1(F)CCN(C(=O)NCC2(C(=O)[O-])CCC2)C1	ZINC000595261293	360464530	/nfs/dbraw/zinc/46/45/30/360464530.db2.gz	PDIAOMXLGWRCKB-GFCCVEGCSA-N	-1	0	269.276	0.888	20	30		CCEDRM
CO[C@@](C)(C(=O)[O-])C(=O)NCCc1ccc(C#N)cc1	ZINC000595999653	360772383	/nfs/dbraw/zinc/77/23/83/360772383.db2.gz	FHRBOUXMTWJRRJ-CQSZACIVSA-N	-1	0	276.292	0.707	20	30		CCEDRM
Cc1ccc(C#N)c(N[C@@H]2C[C@H](C(=O)[O-])C[C@H]2O)n1	ZINC000595977781	360753325	/nfs/dbraw/zinc/75/33/25/360753325.db2.gz	IBOPLKGKBSTYOE-HBNTYKKESA-N	-1	0	261.281	0.898	20	30		CCEDRM
C=CCCSCCNC(=O)[C@@](C)(OC)C(=O)[O-]	ZINC000596002155	360772911	/nfs/dbraw/zinc/77/29/11/360772911.db2.gz	VYRDVDBKEUXHPN-LLVKDONJSA-N	-1	0	261.343	0.902	20	30		CCEDRM
N#CCCn1ccc(=NC(=O)NCCCCC(=O)[O-])[nH]1	ZINC000596058335	360783251	/nfs/dbraw/zinc/78/32/51/360783251.db2.gz	FEAKZIYILRXUCO-UHFFFAOYSA-N	-1	0	279.300	0.595	20	30		CCEDRM
CCN(C(=O)Cc1n[n-]c(=NC)s1)[C@H](C)C#N	ZINC000598361990	361397169	/nfs/dbraw/zinc/39/71/69/361397169.db2.gz	UUOXWJRPKHQUHQ-SSDOTTSWSA-N	-1	0	253.331	0.305	20	30		CCEDRM
C=C[C@H](C)[N-]S(=O)(=O)c1nn(C)cc1[N+](=O)[O-]	ZINC000599259566	361623959	/nfs/dbraw/zinc/62/39/59/361623959.db2.gz	ZPGSKTLBEUWKRD-LURJTMIESA-N	-1	0	260.275	0.181	20	30		CCEDRM
Cn1cc(C#N)c(=NC(=O)N[C@]2(C)CCO[C@@H]2C2CC2)[n-]1	ZINC000612313727	363883109	/nfs/dbraw/zinc/88/31/09/363883109.db2.gz	XVUUOAQBBSWDNH-BXUZGUMPSA-N	-1	0	289.339	0.793	20	30		CCEDRM
C=CCOCCNC(=O)N=c1[n-]n(C)cc1C(=O)OCC	ZINC000612325360	363884391	/nfs/dbraw/zinc/88/43/91/363884391.db2.gz	ZBSFPUZJZAOLIB-UHFFFAOYSA-N	-1	0	296.327	0.343	20	30		CCEDRM
C=CC1CCN(C(=O)C(=O)NC[C@H](C)C(=O)[O-])CC1	ZINC000656003501	412730866	/nfs/dbraw/zinc/73/08/66/412730866.db2.gz	UXRUHUOTMSCMHP-VIFPVBQESA-N	-1	0	268.313	0.248	20	30		CCEDRM
Cc1n[nH]cc1CNC(=O)N=c1[n-]n(C)cc1C#N	ZINC000613146316	364126937	/nfs/dbraw/zinc/12/69/37/364126937.db2.gz	OLKIYPDYWZIQPP-UHFFFAOYSA-N	-1	0	259.273	0.067	20	30		CCEDRM
CO[C@@H]1CN(C(=O)N=c2[n-]n(C)cc2C#N)CC[C@H]1C	ZINC000615253051	364895811	/nfs/dbraw/zinc/89/58/11/364895811.db2.gz	GOMORELRLOOLDZ-MWLCHTKSSA-N	-1	0	277.328	0.602	20	30		CCEDRM
Cn1nncc1S(=O)(=O)[N-]c1cccc(C#N)c1	ZINC000616175466	365202731	/nfs/dbraw/zinc/20/27/31/365202731.db2.gz	UBJHXFRNLNWPPY-UHFFFAOYSA-N	-1	0	263.282	0.488	20	30		CCEDRM
C=CCCn1cc(C(=O)N(C)Cc2n[n-]c(=O)o2)nn1	ZINC000622115094	367041698	/nfs/dbraw/zinc/04/16/98/367041698.db2.gz	HPGCOSYSNBSNJG-UHFFFAOYSA-N	-1	0	278.272	0.215	20	30		CCEDRM
C=CC[C@H](CO)CNS(=O)(=O)c1cc([O-])cc(F)c1	ZINC000632182472	370911113	/nfs/dbraw/zinc/91/11/13/370911113.db2.gz	KPTOHAACUNMVIE-VIFPVBQESA-N	-1	0	289.328	0.994	20	30		CCEDRM
C=CC[C@H]1CC[N@@H+]([C@@H]2CCN(CC(=O)[O-])C2=O)C1	ZINC000629500106	369684420	/nfs/dbraw/zinc/68/44/20/369684420.db2.gz	VRYTXRGKMIHOPG-WDEREUQCSA-N	-1	0	252.314	0.570	20	30		CCEDRM
C=CCOC[C@H](NC(=O)[C@H]1[C@@H](C)[C@H](C)O[C@H]1C)C(=O)[O-]	ZINC000630186834	369996152	/nfs/dbraw/zinc/99/61/52/369996152.db2.gz	ZCBLBYRYGUAGRD-HTFCKZLJSA-N	-1	0	285.340	0.818	20	30		CCEDRM
C=C(C)C[C@H](NC(=O)[C@H]1CCCCS1(=O)=O)C(=O)[O-]	ZINC000630320102	370045845	/nfs/dbraw/zinc/04/58/45/370045845.db2.gz	OYYCLEQHALGBMH-VHSXEESVSA-N	-1	0	289.353	0.489	20	30		CCEDRM
C=C(C)C[C@@H](NC(=O)C1CCN(C(C)=O)CC1)C(=O)[O-]	ZINC000630317935	370045905	/nfs/dbraw/zinc/04/59/05/370045905.db2.gz	VVKPNBATVIOPFN-GFCCVEGCSA-N	-1	0	282.340	0.781	20	30		CCEDRM
C=CC[C@@H]1CCN(C(=O)Cn2cc(C(=O)[O-])nn2)C1	ZINC000630234410	370020176	/nfs/dbraw/zinc/02/01/76/370020176.db2.gz	LPWBUVASYLQBPT-SECBINFHSA-N	-1	0	264.285	0.401	20	30		CCEDRM
C=CCCO[C@@H](C)C(=O)N1CC[C@](OC)(C(=O)[O-])C1	ZINC000630251458	370022515	/nfs/dbraw/zinc/02/25/15/370022515.db2.gz	DYPCYOWTCKXMGI-GXFFZTMASA-N	-1	0	271.313	0.670	20	30		CCEDRM
C=C(C)C[C@H](NC(=O)CS(=O)(=O)C(C)C)C(=O)[O-]	ZINC000630324716	370047914	/nfs/dbraw/zinc/04/79/14/370047914.db2.gz	GIYMDQYJDRXCKE-VIFPVBQESA-N	-1	0	277.342	0.345	20	30		CCEDRM
C=CCOC[C@H](NC(=O)c1ncoc1CC)C(=O)[O-]	ZINC000630185369	369995176	/nfs/dbraw/zinc/99/51/76/369995176.db2.gz	ANULDJHBVDSJKJ-QMMMGPOBSA-N	-1	0	268.269	0.623	20	30		CCEDRM
C=C(C)C[C@H](NS(=O)(=O)CC[C@H]1CCCO1)C(=O)[O-]	ZINC000630438169	370116070	/nfs/dbraw/zinc/11/60/70/370116070.db2.gz	MYDHONBGMXQRKD-MNOVXSKESA-N	-1	0	291.369	0.894	20	30		CCEDRM
C=CCOC[C@H](NC(=O)N[C@@H]1CO[C@@H](C2CC2)C1)C(=O)[O-]	ZINC000630494424	370134674	/nfs/dbraw/zinc/13/46/74/370134674.db2.gz	PSOHLODCTJTEFY-SDDRHHMPSA-N	-1	0	298.339	0.509	20	30		CCEDRM
Cc1[n-][nH]c(=NC(=O)C2(C(=O)C3CC3)CC2)c1C#N	ZINC000633666239	371666706	/nfs/dbraw/zinc/66/67/06/371666706.db2.gz	HWCXYWOHQHPMFK-UHFFFAOYSA-N	-1	0	258.281	0.710	20	30		CCEDRM
C=CCN(C(=O)[C@H](C)O[C@H](C)C(=O)[O-])[C@@H](C)COC	ZINC000634930111	372299780	/nfs/dbraw/zinc/29/97/80/372299780.db2.gz	YNFMZPHTFZVZQJ-GARJFASQSA-N	-1	0	273.329	0.914	20	30		CCEDRM
C=C[C@@H]1OCC[C@H]1NC(=O)[C@H]1CCC[C@@H]1C(=O)[O-]	ZINC000634840633	372267481	/nfs/dbraw/zinc/26/74/81/372267481.db2.gz	QNARPAWHFRWORD-MMWGEVLESA-N	-1	0	253.298	0.947	20	30		CCEDRM
C=CCCC(C)(C)CNC(=O)C(=O)N=c1nc(C)n(C)[n-]1	ZINC000635259985	372435607	/nfs/dbraw/zinc/43/56/07/372435607.db2.gz	JEWUFHWLLYPUQQ-UHFFFAOYSA-N	-1	0	293.371	0.593	20	30		CCEDRM
C=C[C@@H]1OCCC[C@H]1NC(=O)NCCOCC(=O)[O-]	ZINC000635516777	372579215	/nfs/dbraw/zinc/57/92/15/372579215.db2.gz	MCVGOHVDZOZMQM-ZJUUUORDSA-N	-1	0	272.301	0.120	20	30		CCEDRM
C=CC[C@H](CO)CNC(=O)NCCCCC(=O)[O-]	ZINC000635521045	372583241	/nfs/dbraw/zinc/58/32/41/372583241.db2.gz	PAMFQMRSEPUXPC-JTQLQIEISA-N	-1	0	258.318	0.725	20	30		CCEDRM
O=C(N=c1[n-]nc(C(F)(F)F)s1)NCC#CCO	ZINC000639487424	375804446	/nfs/dbraw/zinc/80/44/46/375804446.db2.gz	YOJHJUJRXASBCB-UHFFFAOYSA-N	-1	0	280.231	0.096	20	30		CCEDRM
C=CCC(C)(C)CNC(=O)N=c1ccc(C(=O)NC)n[n-]1	ZINC000640327011	376322893	/nfs/dbraw/zinc/32/28/93/376322893.db2.gz	FEHMIWZPFALBJO-UHFFFAOYSA-N	-1	0	291.355	0.982	20	30		CCEDRM
COc1n[nH]c([N-]S(=O)(=O)c2cccc(C#N)c2)n1	ZINC000126845319	284730796	/nfs/dbraw/zinc/73/07/96/284730796.db2.gz	CKBCXACSHUTLSY-UHFFFAOYSA-N	-1	0	279.281	0.486	20	30		CCEDRM
C=CCN(CC(=O)[O-])S(=O)(=O)N1CCCCC1	ZINC000092463832	389028449	/nfs/dbraw/zinc/02/84/49/389028449.db2.gz	NZLCZUGTVWLJOO-UHFFFAOYSA-N	-1	0	262.331	0.290	20	30		CCEDRM
N#Cc1cc(C(=O)NCCc2nc(=O)o[n-]2)ccc1F	ZINC000355505444	389086500	/nfs/dbraw/zinc/08/65/00/389086500.db2.gz	QPMJVQJKQSJCTD-UHFFFAOYSA-N	-1	0	276.227	0.346	20	30		CCEDRM
N#C[C@H]1CN(CC(=O)[N-]OCc2ccccc2)CCO1	ZINC000093172569	389034491	/nfs/dbraw/zinc/03/44/91/389034491.db2.gz	WSGVNOJHSALCBN-ZDUSSCGKSA-N	-1	0	275.308	0.459	20	30		CCEDRM
CC[C@@H](C#N)S(=O)(=O)[N-]c1cccnc1-n1cncn1	ZINC000360205111	389193612	/nfs/dbraw/zinc/19/36/12/389193612.db2.gz	RBAUGKQYHVESLY-VIFPVBQESA-N	-1	0	292.324	0.706	20	30		CCEDRM
C=CCOCC(=O)N[C@@H]1CCN([C@H](C(=O)[O-])C(C)C)C1=O	ZINC000358723385	389158623	/nfs/dbraw/zinc/15/86/23/389158623.db2.gz	YUUCCWFQDCUXMZ-PWSUYJOCSA-N	-1	0	298.339	0.015	20	30		CCEDRM
C[C@H](NS(=O)(=O)c1ccc(F)cc1C#N)C(=O)[O-]	ZINC000340451778	389159250	/nfs/dbraw/zinc/15/92/50/389159250.db2.gz	QGVFCOWFOOEOGK-LURJTMIESA-N	-1	0	272.257	0.449	20	30		CCEDRM
CC(C)n1cc(C#N)c(=NC(=O)[C@@H]2COCCO2)[n-]1	ZINC000331051305	389297666	/nfs/dbraw/zinc/29/76/66/389297666.db2.gz	ILBMJHSZZIXERX-JTQLQIEISA-N	-1	0	264.285	0.111	20	30		CCEDRM
C=C[C@@H]1OCC[C@H]1C(=O)[N-]S(=O)(=O)[C@@H](C)CC	ZINC000408490448	389367823	/nfs/dbraw/zinc/36/78/23/389367823.db2.gz	AYINDICZFOLHBJ-AEJSXWLSSA-N	-1	0	261.343	0.822	20	30		CCEDRM
C=C[C@@H]1OCC[C@H]1C(=O)[N-]S(=O)(=O)C[C@@H]1CCCO1	ZINC000408496826	389369578	/nfs/dbraw/zinc/36/95/78/389369578.db2.gz	QMBSDPUFKPFMSA-AXFHLTTASA-N	-1	0	289.353	0.203	20	30		CCEDRM
C=CCN(C1CC1)S(=O)(=O)N1CCC(C(=O)[O-])CC1	ZINC000165219488	389439458	/nfs/dbraw/zinc/43/94/58/389439458.db2.gz	KRGNRMZYHAJCOI-UHFFFAOYSA-N	-1	0	288.369	0.678	20	30		CCEDRM
N#C[C@@H]1CN(C(=O)N=c2cccn[n-]2)CCN1C1CC1	ZINC000371985362	389441234	/nfs/dbraw/zinc/44/12/34/389441234.db2.gz	SBRLVOYGDIIHGM-LLVKDONJSA-N	-1	0	272.312	0.103	20	30		CCEDRM
C[C@@]1(C(=O)[O-])CCCN1S(=O)(=O)CCCC#N	ZINC000372750472	389456693	/nfs/dbraw/zinc/45/66/93/389456693.db2.gz	NGSCZOWYRPOFNO-JTQLQIEISA-N	-1	0	260.315	0.559	20	30		CCEDRM
C=CCCn1cc(C(=O)NC2(C(=O)[O-])CCOCC2)nn1	ZINC000425253619	389643206	/nfs/dbraw/zinc/64/32/06/389643206.db2.gz	KINGGWVFHIQBBR-UHFFFAOYSA-N	-1	0	294.311	0.218	20	30		CCEDRM
C=C[C@](C)(CCOC)C(=O)NCCc1nc(=O)o[n-]1	ZINC000280085916	389597983	/nfs/dbraw/zinc/59/79/83/389597983.db2.gz	LBYDXXVDRBLBCU-GFCCVEGCSA-N	-1	0	269.301	0.250	20	30		CCEDRM
Cc1[nH]nc([N-]S(=O)(=O)c2ccnn2C)c1C#N	ZINC000351698265	389658934	/nfs/dbraw/zinc/65/89/34/389658934.db2.gz	UZCYMFHKMPZHLA-UHFFFAOYSA-N	-1	0	266.286	0.124	20	30		CCEDRM
C=CCN(CCC#N)Cc1cc(=O)n2[n-]ccc2n1	ZINC000428831711	389722400	/nfs/dbraw/zinc/72/24/00/389722400.db2.gz	DOVAFGHGLUCBLJ-UHFFFAOYSA-N	-1	0	257.297	0.924	20	30		CCEDRM
CC[C@@H](C#N)S(=O)(=O)[N-]c1ccccc1-n1cnnn1	ZINC000416934042	389781736	/nfs/dbraw/zinc/78/17/36/389781736.db2.gz	CLPBHHSZIDVFMM-VIFPVBQESA-N	-1	0	292.324	0.706	20	30		CCEDRM
CC[C@@H](C#N)S(=O)(=O)[N-]c1cc(C(=O)OC)n(C)c1	ZINC000416959028	389785200	/nfs/dbraw/zinc/78/52/00/389785200.db2.gz	PQODIQFEZRWVGI-VIFPVBQESA-N	-1	0	285.325	0.856	20	30		CCEDRM
N#Cc1ccc(S(=O)(=O)N[C@H](C(=O)[O-])C2CCC2)cn1	ZINC000399223252	389789711	/nfs/dbraw/zinc/78/97/11/389789711.db2.gz	WAEQSVPPQAHANM-NSHDSACASA-N	-1	0	295.320	0.485	20	30		CCEDRM
CN=c1[n-]nc(CC(=O)NCc2cccc(C#N)c2)s1	ZINC000352423993	389808212	/nfs/dbraw/zinc/80/82/12/389808212.db2.gz	PTYPMCPROGVCGS-UHFFFAOYSA-N	-1	0	287.348	0.732	20	30		CCEDRM
C[C@@H](CN(C)C(=O)c1ccc(C#N)[nH]1)c1nnn[n-]1	ZINC000352465549	389814731	/nfs/dbraw/zinc/81/47/31/389814731.db2.gz	LGFMFCNSFVLKJG-ZETCQYMHSA-N	-1	0	259.273	0.275	20	30		CCEDRM
COC(=O)CN(CC#N)C(=O)c1ccc([O-])c([N+](=O)[O-])c1	ZINC000436971122	389988762	/nfs/dbraw/zinc/98/87/62/389988762.db2.gz	NTGLFICMDVQWMX-UHFFFAOYSA-N	-1	0	293.235	0.439	20	30		CCEDRM
C=CCOCCCC(=O)Nc1n[n-]c(S(C)(=O)=O)n1	ZINC000439150428	390015446	/nfs/dbraw/zinc/01/54/46/390015446.db2.gz	HGUMVSAMQLTWOB-UHFFFAOYSA-N	-1	0	288.329	0.130	20	30		CCEDRM
CC(C)(NC(=O)c1ccc(C#N)s1)c1nnn[n-]1	ZINC000487530815	390088051	/nfs/dbraw/zinc/08/80/51/390088051.db2.gz	AZUFYFJYGLWEJI-UHFFFAOYSA-N	-1	0	262.298	0.798	20	30		CCEDRM
N#CCCS(=O)(=O)[N-]C(=O)/C=C/c1cccc(C#N)c1	ZINC000493150285	390119569	/nfs/dbraw/zinc/11/95/69/390119569.db2.gz	HTGCFNLCDKXZHJ-AATRIKPKSA-N	-1	0	289.316	0.931	20	30		CCEDRM
C=CCn1cc(C(=O)NCCCCCC(=O)[O-])nn1	ZINC000647727587	390148361	/nfs/dbraw/zinc/14/83/61/390148361.db2.gz	QXFSCKFDHFSQLE-UHFFFAOYSA-N	-1	0	266.301	0.839	20	30		CCEDRM
C=CCn1cc(C(=O)N2CCC[C@H](C)[C@H]2C(=O)[O-])nn1	ZINC000647743677	390156847	/nfs/dbraw/zinc/15/68/47/390156847.db2.gz	VVCPIHFDGHTEKM-ONGXEEELSA-N	-1	0	278.312	0.789	20	30		CCEDRM
N#Cc1ccc(C(=O)N2CCC[C@H](c3nnn[n-]3)C2)[nH]1	ZINC000538225357	390190252	/nfs/dbraw/zinc/19/02/52/390190252.db2.gz	UNULCJYNQLYORI-QMMMGPOBSA-N	-1	0	271.284	0.419	20	30		CCEDRM
C=C(C)CS(=O)(=O)N[C@@H](COC(C)(C)C)C(=O)[O-]	ZINC000580082310	390219659	/nfs/dbraw/zinc/21/96/59/390219659.db2.gz	WYGJYYGJYWWILQ-VIFPVBQESA-N	-1	0	279.358	0.750	20	30		CCEDRM
COCc1nc(=NC(=O)c2ccc(C#N)cn2)s[n-]1	ZINC000542244525	390257676	/nfs/dbraw/zinc/25/76/76/390257676.db2.gz	ATYYOLXKBJIAHW-UHFFFAOYSA-N	-1	0	275.293	0.625	20	30		CCEDRM
C=CC[C@H](NS(=O)(=O)c1ccc(OC)nc1)C(=O)[O-]	ZINC000646041120	390580936	/nfs/dbraw/zinc/58/09/36/390580936.db2.gz	WBIJWVXCLMCSQO-VIFPVBQESA-N	-1	0	286.309	0.398	20	30		CCEDRM
C=CCn1cc(C(=O)N(CC(=O)[O-])CC2CC2)nn1	ZINC000649244050	390535354	/nfs/dbraw/zinc/53/53/54/390535354.db2.gz	IYSQULVZDLKUMR-UHFFFAOYSA-N	-1	0	264.285	0.401	20	30		CCEDRM
C=CCOC[C@H](NC(=O)NC[C@@H](C)COC)C(=O)[O-]	ZINC000569904103	390716883	/nfs/dbraw/zinc/71/68/83/390716883.db2.gz	CYPYZAHUJFQZAM-ZJUUUORDSA-N	-1	0	274.317	0.224	20	30		CCEDRM
C=CCOC[C@H](NC(=O)NCc1c(C)noc1C)C(=O)[O-]	ZINC000567447265	390698777	/nfs/dbraw/zinc/69/87/77/390698777.db2.gz	TXOPNKVCTIJEIC-NSHDSACASA-N	-1	0	297.311	0.746	20	30		CCEDRM
CCC(CC)C(=O)N1CC(n2cc(C#N)c(=O)[n-]c2=O)C1	ZINC000530268295	390875897	/nfs/dbraw/zinc/87/58/97/390875897.db2.gz	VHYHJAJGILUKLA-UHFFFAOYSA-N	-1	0	290.323	0.640	20	30		CCEDRM
N#CC1(C(=O)N[C@H](CC2CC2)C(=O)[O-])CCOCC1	ZINC000777386911	581113677	/nfs/dbraw/zinc/11/36/77/581113677.db2.gz	GQOCKFKTQFTZEP-SNVBAGLBSA-N	-1	0	266.297	0.676	20	30		CCEDRM
Cc1cc(C(=O)N=c2nn[n-][nH]2)nn1-c1cccc(C#N)c1	ZINC000356348997	143994440	/nfs/dbraw/zinc/99/44/40/143994440.db2.gz	UHMFDZLFWDTVLB-UHFFFAOYSA-N	-1	0	294.278	0.240	20	30		CCEDRM
CC#CC[C@@H](NS(=O)(=O)c1cccc(OC)c1)C(=O)[O-]	ZINC000650412398	397717404	/nfs/dbraw/zinc/71/74/04/397717404.db2.gz	CHNUGSJPMYNEQR-GFCCVEGCSA-N	-1	0	297.332	0.840	20	30		CCEDRM
C=CCCS(=O)(=O)N[C@H](CC1(OC)CCC1)C(=O)[O-]	ZINC000650433394	397719707	/nfs/dbraw/zinc/71/97/07/397719707.db2.gz	YUTQYEJLHPSFRJ-SNVBAGLBSA-N	-1	0	291.369	0.894	20	30		CCEDRM
C=CCOC[C@@H](NC(=O)C[C@@H](OC)C(F)(F)F)C(=O)[O-]	ZINC000652070959	411985693	/nfs/dbraw/zinc/98/56/93/411985693.db2.gz	BZUFXEXDGAXHPP-HTQZYQBOSA-N	-1	0	299.245	0.726	20	30		CCEDRM
Cc1ccc(S(=O)(=O)NCCC#N)cc1C(=O)[O-]	ZINC000021948944	171338987	/nfs/dbraw/zinc/33/89/87/171338987.db2.gz	NUGAWKFKKIYTFV-UHFFFAOYSA-N	-1	0	268.294	0.885	20	30		CCEDRM
C=CC[C@H]1CCCC[C@H]1NC(=O)C(=O)NCCC(=O)[O-]	ZINC000659659115	413757977	/nfs/dbraw/zinc/75/79/77/413757977.db2.gz	QJYFTESCDRFSPK-WDEREUQCSA-N	-1	0	282.340	0.828	20	30		CCEDRM
C=CCN(CC=C)C(=O)C(=O)NCC1(C(=O)[O-])CCC1	ZINC000659667261	413763237	/nfs/dbraw/zinc/76/32/37/413763237.db2.gz	ITBJQRGWJVFWDO-UHFFFAOYSA-N	-1	0	280.324	0.558	20	30		CCEDRM
N#CCSCC(=O)Nc1cnn(CC(=O)[O-])c1	ZINC000038030052	174021754	/nfs/dbraw/zinc/02/17/54/174021754.db2.gz	VRVMTGXREIWRBM-UHFFFAOYSA-N	-1	0	254.271	0.163	20	30		CCEDRM
C=CC[C@@H]1CCCN(C(=O)C(=O)N2CC[C@H](C(=O)[O-])C2)C1	ZINC000662911286	414886450	/nfs/dbraw/zinc/88/64/50/414886450.db2.gz	CNPVCQVHIBVLCX-NEPJUHHUSA-N	-1	0	294.351	0.734	20	30		CCEDRM
C=CCOCCNC(=O)N1CC[C@@H](OC)C[C@@H]1C(=O)[O-]	ZINC000663265692	415030674	/nfs/dbraw/zinc/03/06/74/415030674.db2.gz	JDVQLDXAMMBNEM-GHMZBOCLSA-N	-1	0	286.328	0.463	20	30		CCEDRM
C=CCN(C)C(=O)C(=O)NC[C@@H](C(=O)[O-])C1CCC1	ZINC000663635528	415100473	/nfs/dbraw/zinc/10/04/73/415100473.db2.gz	SSHWMGUKQCBKGO-SNVBAGLBSA-N	-1	0	268.313	0.248	20	30		CCEDRM
C=CCNC(=O)CNC(=O)NC[C@@H](C(=O)[O-])C1CCC1	ZINC000665322789	415600919	/nfs/dbraw/zinc/60/09/19/415600919.db2.gz	MUVKMZNKZIFUCS-SNVBAGLBSA-N	-1	0	283.328	0.089	20	30		CCEDRM
N#Cc1cccc(CS(=O)(=O)N2CC(C(=O)[O-])C2)c1	ZINC000071173155	176053279	/nfs/dbraw/zinc/05/32/79/176053279.db2.gz	YGNZFWYUXMOWJV-UHFFFAOYSA-N	-1	0	280.305	0.404	20	30		CCEDRM
N#CC1(NC(=O)CSc2n[n-]c(=N)s2)CCC1	ZINC000331646535	228117024	/nfs/dbraw/zinc/11/70/24/228117024.db2.gz	VVWGVEHSTHGAPS-UHFFFAOYSA-N	-1	0	269.355	0.605	20	30		CCEDRM
C=CC[C@H](NS(=O)(=O)c1cccnc1)C(=O)[O-]	ZINC000161295212	544704574	/nfs/dbraw/zinc/70/45/74/544704574.db2.gz	XVWYYONSUJORAK-VIFPVBQESA-N	-1	0	256.283	0.389	20	30		CCEDRM
N#C[C@@H]1CN(CC(=O)[N-]OCc2ccccc2)CCO1	ZINC000093172566	260512245	/nfs/dbraw/zinc/51/22/45/260512245.db2.gz	WSGVNOJHSALCBN-CYBMUJFWSA-N	-1	0	275.308	0.459	20	30		CCEDRM
C[C@H]1CCC[C@](C#N)(NC(=O)CSc2n[nH]c(=O)[n-]2)C1	ZINC000185676664	262065941	/nfs/dbraw/zinc/06/59/41/262065941.db2.gz	FRXMPUBNAQOTPJ-UFBFGSQYSA-N	-1	0	295.368	0.779	20	30		CCEDRM
N#C[C@H]1CN(C(=O)c2s[n-]c(=O)c2Cl)CCO1	ZINC000283214770	263081852	/nfs/dbraw/zinc/08/18/52/263081852.db2.gz	XTVUEUPHFWGTDC-YFKPBYRVSA-N	-1	0	273.701	0.867	20	30		CCEDRM
CC[C@H](C)[C@H](NS(=O)(=O)N(C)CCC#N)C(=O)[O-]	ZINC000340546176	263194816	/nfs/dbraw/zinc/19/48/16/263194816.db2.gz	YRTBGIKFSOHDAI-IUCAKERBSA-N	-1	0	277.346	0.166	20	30		CCEDRM
C=CC[C@H](CO)CN=c1nc(CCOC)[n-]s1	ZINC000340904158	263309249	/nfs/dbraw/zinc/30/92/49/263309249.db2.gz	WPIXKDBBKISMRO-VIFPVBQESA-N	-1	0	257.359	0.745	20	30		CCEDRM
C=C[C@@H](C)NC(=O)C(=O)N=c1ccc(OC(C)C)n[n-]1	ZINC000342208959	263408003	/nfs/dbraw/zinc/40/80/03/263408003.db2.gz	OZSYEUQYUDWNRS-SECBINFHSA-N	-1	0	278.312	0.315	20	30		CCEDRM
C[C@@H]([C@H](C)S(C)(=O)=O)N(C)C(=O)N=c1cn[n-]s1	ZINC000331172749	264146376	/nfs/dbraw/zinc/14/63/76/264146376.db2.gz	OQSGMGLRPWWODK-BQBZGAKWSA-N	-1	0	292.386	0.837	20	30		CCEDRM
Cn1cccc(N/C([O-])=N/C[C@H]2COCCO2)c1=O	ZINC000331229438	264151051	/nfs/dbraw/zinc/15/10/51/264151051.db2.gz	CMUPQDYZKSPJMY-VIFPVBQESA-N	-1	0	267.285	0.127	20	30		CCEDRM
N#CC1(C(=O)NCCCc2n[nH]c(=O)[n-]2)CCCCC1	ZINC000080974247	264413034	/nfs/dbraw/zinc/41/30/34/264413034.db2.gz	LKLDMAMDUMKHKA-UHFFFAOYSA-N	-1	0	277.328	0.621	20	30		CCEDRM
C=CCN(C(=O)N=c1cccn[n-]1)[C@H]1CCS(=O)(=O)C1	ZINC000343318148	264788545	/nfs/dbraw/zinc/78/85/45/264788545.db2.gz	HRGGYKLUQPJERU-JTQLQIEISA-N	-1	0	296.352	0.106	20	30		CCEDRM
COCCN=c1[n-]nc(Sc2cncc(C#N)n2)s1	ZINC000521618583	267457448	/nfs/dbraw/zinc/45/74/48/267457448.db2.gz	RYNHLUWYQVEPPJ-UHFFFAOYSA-N	-1	0	294.365	0.831	20	30		CCEDRM
Cc1[n-][nH]c(=NC(=O)[C@H]2CCC[C@H](C(N)=O)C2)c1C#N	ZINC000357231753	300889142	/nfs/dbraw/zinc/88/91/42/300889142.db2.gz	MHNDABLEWYTOIW-IUCAKERBSA-N	-1	0	275.312	0.242	20	30		CCEDRM
C[C@H](C#N)CN(C)S(=O)(=O)N[C@@H](C)CCC(=O)[O-]	ZINC000580081927	327693378	/nfs/dbraw/zinc/69/33/78/327693378.db2.gz	IYOATYPIUGMQIV-BDAKNGLRSA-N	-1	0	277.346	0.166	20	30		CCEDRM
N#C[C@@H]1COCCN1C(=O)c1ccc([O-])c([N+](=O)[O-])c1	ZINC000182869960	327815906	/nfs/dbraw/zinc/81/59/06/327815906.db2.gz	FLYKPSIVUWFNRD-SECBINFHSA-N	-1	0	277.236	0.665	20	30		CCEDRM
C=C(C)COCCNC(=O)N1CC[C@H](C(=O)[O-])C1	ZINC000164157248	328302036	/nfs/dbraw/zinc/30/20/36/328302036.db2.gz	YSBOAGSBDYDVAQ-JTQLQIEISA-N	-1	0	256.302	0.695	20	30		CCEDRM
C=C(C)CS(=O)(=O)N[C@H](C(=O)[O-])[C@H]1CCCOC1	ZINC000569336812	327030568	/nfs/dbraw/zinc/03/05/68/327030568.db2.gz	OLMFNYNUMATGEW-UWVGGRQHSA-N	-1	0	277.342	0.362	20	30		CCEDRM
C=CCCCS(=O)(=O)N[C@H](C(=O)[O-])[C@H]1CCCOC1	ZINC000573084119	327089956	/nfs/dbraw/zinc/08/99/56/327089956.db2.gz	MALWKJVZPNWUQB-QWRGUYRKSA-N	-1	0	291.369	0.752	20	30		CCEDRM
CC[C@@H](C(=O)[O-])N(C)S(=O)(=O)CC1(CC#N)CC1	ZINC000564457565	327138319	/nfs/dbraw/zinc/13/83/19/327138319.db2.gz	HWXOSOFTUVRFNZ-VIFPVBQESA-N	-1	0	274.342	0.805	20	30		CCEDRM
N#CCCCS(=O)(=O)N1CC[C@@H](CC(=O)[O-])C1	ZINC000559341885	327162552	/nfs/dbraw/zinc/16/25/52/327162552.db2.gz	LZRDICZQUVUPQL-VIFPVBQESA-N	-1	0	260.315	0.417	20	30		CCEDRM
C#CCNC(=O)c1cc(F)ccc1[N-]S(C)(=O)=O	ZINC000063663855	327234886	/nfs/dbraw/zinc/23/48/86/327234886.db2.gz	AQOHIVWZNPIEBY-UHFFFAOYSA-N	-1	0	270.285	0.560	20	30		CCEDRM
N#CCCCS(=O)(=O)N1CCCCC[C@H]1C(=O)[O-]	ZINC000368409439	328937883	/nfs/dbraw/zinc/93/78/83/328937883.db2.gz	DRFLEHPSPQYZHL-JTQLQIEISA-N	-1	0	274.342	0.949	20	30		CCEDRM
C=CCOC[C@@H](NC(=O)NC[C@H]1CCSC1)C(=O)[O-]	ZINC000584395102	329453845	/nfs/dbraw/zinc/45/38/45/329453845.db2.gz	CBTXGRWZHPUMJY-NXEZZACHSA-N	-1	0	288.369	0.695	20	30		CCEDRM
C=C(C)CS(=O)(=O)N1CCC[C@H]([C@@H](O)C(=O)[O-])C1	ZINC000584540801	329519308	/nfs/dbraw/zinc/51/93/08/329519308.db2.gz	LCLVTHRSGCQIAW-VHSXEESVSA-N	-1	0	277.342	0.050	20	30		CCEDRM
C=CCCn1cc(C(=O)N[C@@H](CC)C(=O)[O-])nn1	ZINC000425239954	329646946	/nfs/dbraw/zinc/64/69/46/329646946.db2.gz	LHRTYYDEUYDICI-QMMMGPOBSA-N	-1	0	252.274	0.447	20	30		CCEDRM
C=CC[C@@H](CC)NC(=O)C(=O)N1CC[C@@](C)(C(=O)[O-])C1	ZINC000420568602	329774894	/nfs/dbraw/zinc/77/48/94/329774894.db2.gz	UYRVXFOZRHAKTL-QMTHXVAHSA-N	-1	0	282.340	0.781	20	30		CCEDRM
C=CC[C@H](CC)NC(=O)C(=O)N1CCC[C@H](C(=O)[O-])C1	ZINC000420556072	329777879	/nfs/dbraw/zinc/77/78/79/329777879.db2.gz	JJSSYUMRYSZLRJ-QWRGUYRKSA-N	-1	0	282.340	0.781	20	30		CCEDRM
C[C@@H]1CN(C(=O)C2(C#N)CCOCC2)C[C@@]1(C)C(=O)[O-]	ZINC000572002625	329936320	/nfs/dbraw/zinc/93/63/20/329936320.db2.gz	AKDRHAKHQYARFU-ZWNOBZJWSA-N	-1	0	280.324	0.876	20	30		CCEDRM
C=CCC[C@@H](NS(=O)(=O)C[C@@H]1CCOC1)C(=O)[O-]	ZINC000572337289	329984913	/nfs/dbraw/zinc/98/49/13/329984913.db2.gz	OZPBBBWPBORMFM-NXEZZACHSA-N	-1	0	277.342	0.362	20	30		CCEDRM
C[C@H](NS(=O)(=O)CC1(C#N)CCCCC1)C(=O)[O-]	ZINC000262344849	330007263	/nfs/dbraw/zinc/00/72/63/330007263.db2.gz	ADHZOXXEYHPWIW-VIFPVBQESA-N	-1	0	274.342	0.853	20	30		CCEDRM
C=CCC[C@H](NC(=O)CCCC(=O)N(C)C)C(=O)[O-]	ZINC000262857372	330035584	/nfs/dbraw/zinc/03/55/84/330035584.db2.gz	IIYLDHNIZZPDET-JTQLQIEISA-N	-1	0	270.329	0.781	20	30		CCEDRM
C=CCC[C@@H](NC(=O)CCC(=O)NCCC)C(=O)[O-]	ZINC000262995094	330038245	/nfs/dbraw/zinc/03/82/45/330038245.db2.gz	VROQUACPYCBOJT-SNVBAGLBSA-N	-1	0	270.329	0.828	20	30		CCEDRM
C[C@H]1CC[C@@H](C(=O)[O-])CN1S(=O)(=O)CC1(C#N)CC1	ZINC000263215544	330049724	/nfs/dbraw/zinc/04/97/24/330049724.db2.gz	ZXQVZCCTCAALDK-VHSXEESVSA-N	-1	0	286.353	0.805	20	30		CCEDRM
C[C@@H]1C[C@@H](C(=O)[O-])CN(S(=O)(=O)CCCC#N)C1	ZINC000263238158	330050431	/nfs/dbraw/zinc/05/04/31/330050431.db2.gz	RHOSOPUVYACSKX-NXEZZACHSA-N	-1	0	274.342	0.663	20	30		CCEDRM
C=CCCO[C@H](C)C(=O)N1CCOC[C@H]1CC(=O)[O-]	ZINC000263272937	330051281	/nfs/dbraw/zinc/05/12/81/330051281.db2.gz	ILRFVUAPRBKLLW-GHMZBOCLSA-N	-1	0	271.313	0.670	20	30		CCEDRM
C[C@@]1(C(=O)[O-])CCN(S(=O)(=O)CC2(CC#N)CC2)C1	ZINC000263465946	330056979	/nfs/dbraw/zinc/05/69/79/330056979.db2.gz	GEASDLQLXAXOQV-LLVKDONJSA-N	-1	0	286.353	0.807	20	30		CCEDRM
C[C@@H](CN(C)S(=O)(=O)CC(C)(C)CC#N)C(=O)[O-]	ZINC000263475356	330057113	/nfs/dbraw/zinc/05/71/13/330057113.db2.gz	JCOYCYNVODMEKV-VIFPVBQESA-N	-1	0	276.358	0.909	20	30		CCEDRM
CCCC[C@H](NS(=O)(=O)N(C)[C@H](C)CC#N)C(=O)[O-]	ZINC000263480680	330057427	/nfs/dbraw/zinc/05/74/27/330057427.db2.gz	KSGXWHJJJIZWNJ-ZJUUUORDSA-N	-1	0	291.373	0.698	20	30		CCEDRM
CCN(C[C@H](C)C#N)S(=O)(=O)N1CC[C@@H](C(=O)[O-])C1	ZINC000263557136	330059288	/nfs/dbraw/zinc/05/92/88/330059288.db2.gz	PATJGJRVUJITHM-NXEZZACHSA-N	-1	0	289.357	0.119	20	30		CCEDRM
C[C@@H]1[C@H](C(=O)[O-])CCCN1S(=O)(=O)N(C)CCC#N	ZINC000422557815	330149228	/nfs/dbraw/zinc/14/92/28/330149228.db2.gz	XIWLXBKXXZRJPF-NXEZZACHSA-N	-1	0	289.357	0.262	20	30		CCEDRM
C=C(C)C[C@H](C)C(=O)N1CCS(=O)(=O)[C@H](C(=O)[O-])C1	ZINC000424242228	330331309	/nfs/dbraw/zinc/33/13/09/330331309.db2.gz	LZTJKYUWTIFANA-UWVGGRQHSA-N	-1	0	289.353	0.299	20	30		CCEDRM
C=CCCn1cc(C(=O)N([C@H](C)C(=O)[O-])C2CC2)nn1	ZINC000424261117	330332615	/nfs/dbraw/zinc/33/26/15/330332615.db2.gz	ZJMJDRIJUBHHAM-SECBINFHSA-N	-1	0	278.312	0.932	20	30		CCEDRM
N#C[C@]1(NC(=O)c2cc([N+](=O)[O-])ccc2[O-])CCOC1	ZINC000436940395	330689417	/nfs/dbraw/zinc/68/94/17/330689417.db2.gz	WMRQGFPWFCWZNH-GFCCVEGCSA-N	-1	0	277.236	0.713	20	30		CCEDRM
C=CCC[C@H](CO)NC(=O)N=c1ccc(OC)n[n-]1	ZINC000455252623	331163238	/nfs/dbraw/zinc/16/32/38/331163238.db2.gz	NEWKFTBHQBWSHI-SECBINFHSA-N	-1	0	266.301	0.356	20	30		CCEDRM
C=CCCOCCNS(=O)(=O)[N-]CC(F)(F)F	ZINC000195436668	331173336	/nfs/dbraw/zinc/17/33/36/331173336.db2.gz	UEOMZNATRCIDQQ-UHFFFAOYSA-N	-1	0	276.280	0.565	20	30		CCEDRM
C=CCOC[C@H](NC(=O)CCn1cc(C)cn1)C(=O)[O-]	ZINC000455873500	331179321	/nfs/dbraw/zinc/17/93/21/331179321.db2.gz	HMKLRSMDQRCQTE-NSHDSACASA-N	-1	0	281.312	0.354	20	30		CCEDRM
C=CCOC[C@@H](NC(=O)c1cc([N+](=O)[O-])c[nH]1)C(=O)[O-]	ZINC000455900289	331180042	/nfs/dbraw/zinc/18/00/42/331180042.db2.gz	JLEDJKSOUGRFQM-SECBINFHSA-N	-1	0	283.240	0.309	20	30		CCEDRM
C=CCn1cccc1C(=O)NCCCc1n[nH]c(=O)[n-]1	ZINC000488746489	332023845	/nfs/dbraw/zinc/02/38/45/332023845.db2.gz	DBXDPFUTKFVSKD-UHFFFAOYSA-N	-1	0	275.312	0.860	20	30		CCEDRM
C#C[C@@H]1COCCN1C(=O)c1cccc([O-])c1[N+](=O)[O-]	ZINC000491647720	332264172	/nfs/dbraw/zinc/26/41/72/332264172.db2.gz	ZEFYLGIYVNNJCV-SECBINFHSA-N	-1	0	276.248	0.775	20	30		CCEDRM
C#CCN(C)C(=O)c1c[nH]c2nc(=O)[n-]c(=O)c-2c1	ZINC000491713543	332304575	/nfs/dbraw/zinc/30/45/75/332304575.db2.gz	KAKVZRDLAYFXQQ-UHFFFAOYSA-N	-1	0	258.237	0.141	20	30		CCEDRM
N#CCCCS(=O)(=O)[N-]C(=O)/C=C/c1ccncc1	ZINC000492370572	332394640	/nfs/dbraw/zinc/39/46/40/332394640.db2.gz	XWSNYLXPNJKPDX-ONEGZZNKSA-N	-1	0	279.321	0.845	20	30		CCEDRM
C[C@H]1[C@H](C(=O)[O-])CCN1S(=O)(=O)CC1(CC#N)CC1	ZINC000575806860	335117319	/nfs/dbraw/zinc/11/73/19/335117319.db2.gz	VEZSLOTYLNEFIA-VHSXEESVSA-N	-1	0	286.353	0.805	20	30		CCEDRM
C=CCN(CC(=O)[O-])S(=O)(=O)c1ccc(C)nc1	ZINC000516766688	333082138	/nfs/dbraw/zinc/08/21/38/333082138.db2.gz	RXJSNSVAJLHFTP-UHFFFAOYSA-N	-1	0	270.310	0.651	20	30		CCEDRM
CO[C@H](C)c1nc(=NC(=O)NC[C@@H](C)C#N)s[n-]1	ZINC000521118372	333111993	/nfs/dbraw/zinc/11/19/93/333111993.db2.gz	RDQXNYACRFGZLL-NKWVEPMBSA-N	-1	0	269.330	0.949	20	30		CCEDRM
CC(C)[C@@H](C(=O)[O-])[C@@H](C)NS(=O)(=O)N(C)CCC#N	ZINC000521613048	333179854	/nfs/dbraw/zinc/17/98/54/333179854.db2.gz	QQQILZAKMXRWCI-NXEZZACHSA-N	-1	0	291.373	0.412	20	30		CCEDRM
C=CCC[C@@H](NC(=O)NCCCn1ccnn1)C(=O)[O-]	ZINC000315929210	333384566	/nfs/dbraw/zinc/38/45/66/333384566.db2.gz	QREPVGOXDQPFSL-SNVBAGLBSA-N	-1	0	281.316	0.387	20	30		CCEDRM
C=CCC[C@H](NS(=O)(=O)C[C@H](OC)C1CC1)C(=O)[O-]	ZINC000576156974	335161668	/nfs/dbraw/zinc/16/16/68/335161668.db2.gz	UISWSSNKKJZWDU-QWRGUYRKSA-N	-1	0	291.369	0.750	20	30		CCEDRM
CC#CC[C@H](NS(=O)(=O)N1CCC[C@@H](C)C1)C(=O)[O-]	ZINC000543787100	333898782	/nfs/dbraw/zinc/89/87/82/333898782.db2.gz	JFZBPGJMGOATOA-MNOVXSKESA-N	-1	0	288.369	0.419	20	30		CCEDRM
CCN(C[C@@H](C)C(=O)[O-])S(=O)(=O)CC1(C#N)CC1	ZINC000548242898	334147002	/nfs/dbraw/zinc/14/70/02/334147002.db2.gz	YKNNGMJQHVIHCE-SECBINFHSA-N	-1	0	274.342	0.663	20	30		CCEDRM
C=CCN(CC(=O)[O-])S(=O)(=O)c1ccc(C(N)=O)cc1	ZINC000092463863	334419139	/nfs/dbraw/zinc/41/91/39/334419139.db2.gz	VCPIOKUAHJAYCJ-UHFFFAOYSA-N	-1	0	298.320	0.047	20	30		CCEDRM
C=C(C)CS(=O)(=O)N[C@@H](C[C@@H]1CCOC1)C(=O)[O-]	ZINC000565058083	334536902	/nfs/dbraw/zinc/53/69/02/334536902.db2.gz	RWTSVJLBZJMLAU-UWVGGRQHSA-N	-1	0	277.342	0.362	20	30		CCEDRM
CC(C)N([C@H](C)C(=O)[O-])S(=O)(=O)c1cncc(C#N)c1	ZINC000573259804	334922400	/nfs/dbraw/zinc/92/24/00/334922400.db2.gz	OZJBPWOVYONKBN-SECBINFHSA-N	-1	0	297.336	0.825	20	30		CCEDRM
C[C@@H](CC#N)N(C)S(=O)(=O)N[C@H](C(=O)[O-])C(C)(C)C	ZINC000576827265	335252922	/nfs/dbraw/zinc/25/29/22/335252922.db2.gz	RFSOCTPVKUSCFT-DTWKUNHWSA-N	-1	0	291.373	0.554	20	30		CCEDRM
C[C@@H]1CCN(S(=O)(=O)c2cncc(C#N)c2)[C@@H]1C(=O)[O-]	ZINC000380890747	336038691	/nfs/dbraw/zinc/03/86/91/336038691.db2.gz	ZGSSDXZERBNNIS-KCJUWKMLSA-N	-1	0	295.320	0.437	20	30		CCEDRM
Cc1nnsc1CNS(=O)(=O)c1cccnc1C#N	ZINC000384166314	336122194	/nfs/dbraw/zinc/12/21/94/336122194.db2.gz	STBYUEIJEKWNCO-UHFFFAOYSA-N	-1	0	295.349	0.592	20	30		CCEDRM
C=CCCO[C@H](C)C(=O)N[C@@H](CCOC)C(=O)[O-]	ZINC000262343258	534781879	/nfs/dbraw/zinc/78/18/79/534781879.db2.gz	XKOVSOLLBQRDIW-ZJUUUORDSA-N	-1	0	259.302	0.574	20	30		CCEDRM
C[C@@H](C#N)CNS(=O)(=O)c1cccc(C(=O)[O-])c1	ZINC000054156477	526237720	/nfs/dbraw/zinc/23/77/20/526237720.db2.gz	RIIYRLBGNKWKEO-QMMMGPOBSA-N	-1	0	268.294	0.823	20	30		CCEDRM
C=CCC[C@@H](CO)NC(=O)NCCCCC(=O)[O-]	ZINC000666557183	545125515	/nfs/dbraw/zinc/12/55/15/545125515.db2.gz	BIKIOIJQFHNDNU-JTQLQIEISA-N	-1	0	258.318	0.868	20	30		CCEDRM
C=CCCO[C@H](C)C(=O)N[C@H](C(=O)[O-])C1CCOCC1	ZINC000668308969	545172613	/nfs/dbraw/zinc/17/26/13/545172613.db2.gz	PSAVTGWFSRUJAN-PWSUYJOCSA-N	-1	0	285.340	0.964	20	30		CCEDRM
C=CC[C@H](C)NC(=O)c1cc(S(N)(=O)=O)ccc1[O-]	ZINC000668854104	545192830	/nfs/dbraw/zinc/19/28/30/545192830.db2.gz	CDDILJIVLUHNDL-QMMMGPOBSA-N	-1	0	284.337	0.734	20	30		CCEDRM
COCC#CC[NH+]1CCC(c2n[nH]c(=O)[n-]2)CC1	ZINC000676655801	545348019	/nfs/dbraw/zinc/34/80/19/545348019.db2.gz	WIUORCMQVVJLFL-UHFFFAOYSA-N	-1	0	250.302	0.340	20	30		CCEDRM
CCNC(=O)C(=O)N=c1[n-]n(C(C)(C)C)cc1C#N	ZINC000359056120	535786856	/nfs/dbraw/zinc/78/68/56/535786856.db2.gz	OAENBTAJRVIHQT-UHFFFAOYSA-N	-1	0	263.301	0.006	20	30		CCEDRM
CC[C@@H]1C[C@H](C(=O)N=c2[nH][n-]c(C)c2C#N)CC(=O)N1	ZINC000357235785	535882405	/nfs/dbraw/zinc/88/24/05/535882405.db2.gz	WXDWMJDGLHOACN-DTWKUNHWSA-N	-1	0	275.312	0.255	20	30		CCEDRM
C=CCCOCC(=O)N(CC(=O)[O-])C1CCOCC1	ZINC000678981823	545400696	/nfs/dbraw/zinc/40/06/96/545400696.db2.gz	XHXPTULRCMFVID-UHFFFAOYSA-N	-1	0	271.313	0.671	20	30		CCEDRM
C=CCCOCC(=O)N(C)C[C@@H](C)c1nnn[n-]1	ZINC000681353654	545451384	/nfs/dbraw/zinc/45/13/84/545451384.db2.gz	RSAOYBWTXPSXLS-SECBINFHSA-N	-1	0	253.306	0.354	20	30		CCEDRM
COC(C)(C)C(=O)[N-]S(=O)(=O)CC1(C#N)CCCC1	ZINC000779316298	581180639	/nfs/dbraw/zinc/18/06/39/581180639.db2.gz	RELLQAALGAVGEX-UHFFFAOYSA-N	-1	0	288.369	0.941	20	30		CCEDRM
CCN(CC(=O)N(CCC#N)CCC#N)C(=O)[O-]	ZINC000739386498	581125885	/nfs/dbraw/zinc/12/58/85/581125885.db2.gz	LHRCUDBGYRHOHO-UHFFFAOYSA-N	-1	0	252.274	0.642	20	30		CCEDRM
CCN(CCC#N)C(=O)CN(CCOC)C(=O)[O-]	ZINC000739415254	581132873	/nfs/dbraw/zinc/13/28/73/581132873.db2.gz	NUHMRYNWNCEEJM-UHFFFAOYSA-N	-1	0	257.290	0.375	20	30		CCEDRM
CC[C@H](NC(=O)[O-])C(=O)NCCNc1ccc(C#N)cn1	ZINC000739529873	581158971	/nfs/dbraw/zinc/15/89/71/581158971.db2.gz	BYQIANCHAJOUES-JTQLQIEISA-N	-1	0	291.311	0.528	20	30		CCEDRM
N#CCn1cc(NC(=O)C(=O)[N-]OC2CCCCC2)cn1	ZINC000778944878	581170541	/nfs/dbraw/zinc/17/05/41/581170541.db2.gz	IQPXKIWNVFYNQU-UHFFFAOYSA-N	-1	0	291.311	0.726	20	30		CCEDRM
N#CCN(CC(=O)[O-])C(=O)c1n[nH]c2ccccc21	ZINC000739087138	581174960	/nfs/dbraw/zinc/17/49/60/581174960.db2.gz	WEWOPSRPVPDQSM-UHFFFAOYSA-N	-1	0	258.237	0.613	20	30		CCEDRM
N#CC1(CS(=O)(=O)[N-]C(=O)C2CC2)CCCC1	ZINC000779319118	581180767	/nfs/dbraw/zinc/18/07/67/581180767.db2.gz	BESQWFJPVAEGDO-UHFFFAOYSA-N	-1	0	256.327	0.926	20	30		CCEDRM
CN(C(=O)[O-])C1CCN(S(=O)(=O)CCCC#N)CC1	ZINC000737938974	581182692	/nfs/dbraw/zinc/18/26/92/581182692.db2.gz	MOENBHKTEXIIQA-UHFFFAOYSA-N	-1	0	289.357	0.694	20	30		CCEDRM
CC#CCS(=O)(=O)[N-]C(=O)[C@H](C)OCC1CC1	ZINC000791110417	581207712	/nfs/dbraw/zinc/20/77/12/581207712.db2.gz	CYMBFJRIMZKCQX-VIFPVBQESA-N	-1	0	259.327	0.271	20	30		CCEDRM
C#CCCS(=O)(=O)[N-]C(=O)[C@@H](C)OCC1CC1	ZINC000791108025	581207513	/nfs/dbraw/zinc/20/75/13/581207513.db2.gz	JMJLJHFNPZDSQC-SECBINFHSA-N	-1	0	259.327	0.271	20	30		CCEDRM
CC#CCS(=O)(=O)[N-]C(=O)c1ccccc1COC	ZINC000791106583	581207796	/nfs/dbraw/zinc/20/77/96/581207796.db2.gz	IHFTTZYOQGNGOG-UHFFFAOYSA-N	-1	0	281.333	0.916	20	30		CCEDRM
C#CCCS(=O)(=O)[N-]C(=O)CCCC(=O)NCCC	ZINC000791106877	581207798	/nfs/dbraw/zinc/20/77/98/581207798.db2.gz	DUVFUJOYUPKLET-UHFFFAOYSA-N	-1	0	288.369	0.152	20	30		CCEDRM
CC[C@H](C)[C@@H](NC(=O)[O-])C(=O)N1CCO[C@H](C#N)C1	ZINC000739225466	581208232	/nfs/dbraw/zinc/20/82/32/581208232.db2.gz	ADXDMJLPNHKRDN-IVZWLZJFSA-N	-1	0	269.301	0.420	20	30		CCEDRM
CC[C@H](C)[C@@H](NC(=O)[O-])C(=O)N1CCO[C@@H](C#N)C1	ZINC000739225469	581208375	/nfs/dbraw/zinc/20/83/75/581208375.db2.gz	ADXDMJLPNHKRDN-LPEHRKFASA-N	-1	0	269.301	0.420	20	30		CCEDRM
N#CCCN(Cc1cccnc1)C(=O)c1cc(=O)[nH][n-]1	ZINC000791340912	581215767	/nfs/dbraw/zinc/21/57/67/581215767.db2.gz	SAISYUUFHZOYFQ-UHFFFAOYSA-N	-1	0	271.280	0.200	20	30		CCEDRM
COCCN(CC(=O)NCc1ccc(C#N)cc1)C(=O)[O-]	ZINC000739818803	581239815	/nfs/dbraw/zinc/23/98/15/581239815.db2.gz	PTKKOMLVCBSEJT-UHFFFAOYSA-N	-1	0	291.307	0.801	20	30		CCEDRM
COc1ccc(S(=O)(=O)N(CC#N)CC(=O)[O-])c(C)c1	ZINC000738058609	581267635	/nfs/dbraw/zinc/26/76/35/581267635.db2.gz	UACGCSAOIHGCQA-UHFFFAOYSA-N	-1	0	298.320	0.603	20	30		CCEDRM
CC[C@@H](NN=Cc1cc(C(=O)OC)c(C)n1C)C(=O)[O-]	ZINC000793057147	581282829	/nfs/dbraw/zinc/28/28/29/581282829.db2.gz	LNEAFCWQQUHALG-LLVKDONJSA-N	-1	0	281.312	0.907	20	30		CCEDRM
CC[C@H](NN=C1CCCC[C@@H]1S(C)(=O)=O)C(=O)[O-]	ZINC000793058554	581283402	/nfs/dbraw/zinc/28/34/02/581283402.db2.gz	VOWKTDVUWNMLBL-WPRPVWTQSA-N	-1	0	276.358	0.782	20	30		CCEDRM
N#CC1(CS(=O)(=O)[N-]C(=O)CCc2ccoc2)CC1	ZINC000793196368	581288057	/nfs/dbraw/zinc/28/80/57/581288057.db2.gz	UPHYOBYLSMVXLI-UHFFFAOYSA-N	-1	0	282.321	0.962	20	30		CCEDRM
Cc1nscc1C(=O)[N-]S(=O)(=O)CC1(C#N)CC1	ZINC000793212258	581288498	/nfs/dbraw/zinc/28/84/98/581288498.db2.gz	MAGLZNIBKJAKDR-UHFFFAOYSA-N	-1	0	285.350	0.815	20	30		CCEDRM
COC1(C(=O)[N-]S(=O)(=O)CC2(C#N)CC2)CCC1	ZINC000793212292	581288539	/nfs/dbraw/zinc/28/85/39/581288539.db2.gz	MMQDFQNNJBLRIJ-UHFFFAOYSA-N	-1	0	272.326	0.305	20	30		CCEDRM
CC(C)(C#N)CC(=O)[N-]S(=O)(=O)Cc1ccccn1	ZINC000793313845	581294029	/nfs/dbraw/zinc/29/40/29/581294029.db2.gz	ZLZKXEJYBIAHQS-UHFFFAOYSA-N	-1	0	281.337	0.967	20	30		CCEDRM
C[C@@H](CO)NN=Cc1ccccc1OCC(=O)[O-]	ZINC000749822277	581308259	/nfs/dbraw/zinc/30/82/59/581308259.db2.gz	VHYIVNCAKJDUFZ-VIFPVBQESA-N	-1	0	252.270	0.454	20	30		CCEDRM
N#CCCCS(=O)(=O)NCC[C@H]1CCN(C(=O)[O-])C1	ZINC000740308368	581322903	/nfs/dbraw/zinc/32/29/03/581322903.db2.gz	YBTHJMBESKSAQH-JTQLQIEISA-N	-1	0	289.357	0.600	20	30		CCEDRM
N#C[C@H]1CN(C(=O)[C@@H]2CCCCN2C(=O)[O-])CCO1	ZINC000740308064	581323049	/nfs/dbraw/zinc/32/30/49/581323049.db2.gz	UKAUJZISHSQKDD-UWVGGRQHSA-N	-1	0	267.285	0.270	20	30		CCEDRM
C=C[C@](C)(CCOC)C(=O)[N-]S(=O)(=O)c1cnccn1	ZINC000783108692	581336379	/nfs/dbraw/zinc/33/63/79/581336379.db2.gz	ZKTYQHLAIUSHBS-GFCCVEGCSA-N	-1	0	299.352	0.510	20	30		CCEDRM
C=C(C)CN(CC)C(=O)CN1CC[C@@H](NC(=O)[O-])C1	ZINC000738470876	581344294	/nfs/dbraw/zinc/34/42/94/581344294.db2.gz	NQTVWRGAOIZMKH-LLVKDONJSA-N	-1	0	269.345	0.753	20	30		CCEDRM
C=CCCCN(C)C(=O)CN1CCN(C(=O)[O-])CC1=O	ZINC000738494205	581361613	/nfs/dbraw/zinc/36/16/13/581361613.db2.gz	XDELDHGZOOKVEQ-UHFFFAOYSA-N	-1	0	283.328	0.233	20	30		CCEDRM
C[C@H](Oc1ccc(C=NOCC(N)=O)cc1)C(=O)[O-]	ZINC000794921104	581391079	/nfs/dbraw/zinc/39/10/79/581391079.db2.gz	BFAFLTLYSKZQIO-QMMMGPOBSA-N	-1	0	266.253	0.374	20	30		CCEDRM
COC(=O)c1ccc([N-]N=C2C(=O)OC[C@H]2C)nc1	ZINC000794921807	581391123	/nfs/dbraw/zinc/39/11/23/581391123.db2.gz	GCLNDAMWDRSXLV-SSDOTTSWSA-N	-1	0	263.253	0.829	20	30		CCEDRM
C=CCOCC(=O)[N-]S(=O)(=O)Cc1cccc(OC)c1	ZINC000785114777	581401868	/nfs/dbraw/zinc/40/18/68/581401868.db2.gz	FLFUPUBNXDKPFH-UHFFFAOYSA-N	-1	0	299.348	0.844	20	30		CCEDRM
COCC#CCOC(=O)[C@@H]([N-]C(=O)C(F)(F)F)C(C)C	ZINC000786767120	581448260	/nfs/dbraw/zinc/44/82/60/581448260.db2.gz	SROFCGYLVFKBSO-VIFPVBQESA-N	-1	0	295.257	0.883	20	30		CCEDRM
C=CCS(=O)(=O)[N-]C(=O)[C@@H](NC(C)=O)[C@@H](C)CC	ZINC000797184649	581461242	/nfs/dbraw/zinc/46/12/42/581461242.db2.gz	PQPDFFSMZFBMBN-WPRPVWTQSA-N	-1	0	276.358	0.169	20	30		CCEDRM
Cc1nn(C)cc1S(=O)(=O)[N-]C(=O)c1ccc(C#N)o1	ZINC000797257835	581463129	/nfs/dbraw/zinc/46/31/29/581463129.db2.gz	WZPLQWLYLMFTRR-UHFFFAOYSA-N	-1	0	294.292	0.312	20	30		CCEDRM
C#CCCCCC(=O)[N-]S(=O)(=O)[C@@H](C)C(=O)OC	ZINC000797290039	581463873	/nfs/dbraw/zinc/46/38/73/581463873.db2.gz	IJVSSAIFOQDXCB-VIFPVBQESA-N	-1	0	275.326	0.188	20	30		CCEDRM
N#Cc1cccc(CNC(=O)Cn2cnc(C(=O)[O-])n2)c1	ZINC000739133685	581509944	/nfs/dbraw/zinc/50/99/44/581509944.db2.gz	MLJVKSMTZBKKQW-UHFFFAOYSA-N	-1	0	285.263	0.164	20	30		CCEDRM
C[C@@H]1OC(C)(C)N(C(=O)[O-])[C@H]1C(=O)N(C)CC#N	ZINC000739198649	581521982	/nfs/dbraw/zinc/52/19/82/581521982.db2.gz	POXYCBNMZGGGTL-JGVFFNPUSA-N	-1	0	255.274	0.472	20	30		CCEDRM
C[C@@H](CO)NN=Cc1[nH]nc2cc(C(=O)[O-])ccc21	ZINC000765582586	581526442	/nfs/dbraw/zinc/52/64/42/581526442.db2.gz	XDXAJCGQCVOGJO-ZETCQYMHSA-N	-1	0	262.269	0.565	20	30		CCEDRM
CCC[C@@H](NC(=O)[O-])C(=O)N1CCO[C@@H](C#N)C1	ZINC000739314499	581535070	/nfs/dbraw/zinc/53/50/70/581535070.db2.gz	UMCKTJGGLGLWFV-DTWKUNHWSA-N	-1	0	255.274	0.174	20	30		CCEDRM
CCN(CC#N)C(=O)CN(C[C@@H]1CCCO1)C(=O)[O-]	ZINC000739384078	581543952	/nfs/dbraw/zinc/54/39/52/581543952.db2.gz	CDCZEXMMZHGPIR-JTQLQIEISA-N	-1	0	269.301	0.517	20	30		CCEDRM
CC(C)[C@@H](CNC(=O)c1ccc(C#N)nc1)NC(=O)[O-]	ZINC000738787734	581559228	/nfs/dbraw/zinc/55/92/28/581559228.db2.gz	BQFQHOAAPQHDDM-LLVKDONJSA-N	-1	0	276.296	0.975	20	30		CCEDRM
COCCCNC(=O)C(C#N)=C([O-])c1ccc(C#N)nc1	ZINC000734705464	581582201	/nfs/dbraw/zinc/58/22/01/581582201.db2.gz	HRXQHJWMFJUWLY-LBPRGKRZSA-N	-1	0	286.291	0.428	20	30		CCEDRM
C=C[C@@H](CC(=O)[N-]S(=O)(=O)CC(N)=O)c1ccccc1	ZINC000766923112	581587345	/nfs/dbraw/zinc/58/73/45/581587345.db2.gz	HCFFLIUEYCWKLL-JTQLQIEISA-N	-1	0	296.348	0.278	20	30		CCEDRM
C#CCCS(=O)(=O)[N-]C(=O)[C@@H](C)C1CCOCC1	ZINC000788067154	581610281	/nfs/dbraw/zinc/61/02/81/581610281.db2.gz	CEQNPBRUEPFZAW-JTQLQIEISA-N	-1	0	273.354	0.518	20	30		CCEDRM
CC#CCCCC(=O)[N-]S(=O)(=O)[C@@H]1CCCOC1	ZINC000768010208	581641234	/nfs/dbraw/zinc/64/12/34/581641234.db2.gz	LWIWKZIFHLXCTI-LLVKDONJSA-N	-1	0	273.354	0.805	20	30		CCEDRM
Cc1nnc([S-])n(N=Cc2ccc(O)c(F)c2)c1=O	ZINC000755511103	581642991	/nfs/dbraw/zinc/64/29/91/581642991.db2.gz	NVVYESCTIBTWAI-UHFFFAOYSA-N	-1	0	280.284	0.962	20	30		CCEDRM
CN(CCNc1ncnc2c1cnn2CCC#N)C(=O)[O-]	ZINC000739700822	581649800	/nfs/dbraw/zinc/64/98/00/581649800.db2.gz	JSUWLPAPKPDGLS-UHFFFAOYSA-N	-1	0	289.299	0.762	20	30		CCEDRM
N#C[C@H](C(=O)CSCC(=O)[O-])C(=O)NC1CCCC1	ZINC000740303076	581662083	/nfs/dbraw/zinc/66/20/83/581662083.db2.gz	GJWZOZKOERJHKB-SECBINFHSA-N	-1	0	284.337	0.572	20	30		CCEDRM
N#CCCCCNC(=O)[C@@H]1COCCN1C(=O)[O-]	ZINC000740306815	581662557	/nfs/dbraw/zinc/66/25/57/581662557.db2.gz	LDOLMCKCDYEPME-VIFPVBQESA-N	-1	0	255.274	0.175	20	30		CCEDRM
N#CC1CCN(C(=O)[C@@H]2CCN(C(=O)[O-])C2)CC1	ZINC000740311091	581664075	/nfs/dbraw/zinc/66/40/75/581664075.db2.gz	YAPVGULMVFQMFL-SNVBAGLBSA-N	-1	0	251.286	0.748	20	30		CCEDRM
C#CCOCCC(=O)[N-]S(=O)(=O)CCc1ccccc1	ZINC000756532059	581670024	/nfs/dbraw/zinc/67/00/24/581670024.db2.gz	KWRZAUCFJURXOQ-UHFFFAOYSA-N	-1	0	295.360	0.715	20	30		CCEDRM
C[C@@](O)(CC(=O)Nc1nc(C#N)c(C#N)[n-]1)C1CC1	ZINC000756752669	581677292	/nfs/dbraw/zinc/67/72/92/581677292.db2.gz	GWPXLWDJYMSHGE-GFCCVEGCSA-N	-1	0	259.269	0.643	20	30		CCEDRM
C#CCNC(=O)CN[C@](CC)(C(=O)[O-])c1ccccc1	ZINC000736077176	581694542	/nfs/dbraw/zinc/69/45/42/581694542.db2.gz	ZHVLJNZVAIGXGV-HNNXBMFYSA-N	-1	0	274.320	0.716	20	30		CCEDRM
COc1cc(C(C)=NNCC(N)=O)cc([N+](=O)[O-])c1[O-]	ZINC000758897005	581700369	/nfs/dbraw/zinc/70/03/69/581700369.db2.gz	WKAFMJNRURVYDS-UHFFFAOYSA-N	-1	0	282.256	0.108	20	30		CCEDRM
C#Cc1ccc(C(=O)N(CCOC)CCC(=O)[O-])cn1	ZINC000736093537	581701247	/nfs/dbraw/zinc/70/12/47/581701247.db2.gz	VIBYZTDVCURGIT-UHFFFAOYSA-N	-1	0	276.292	0.626	20	30		CCEDRM
C[C@@](C#N)(NC(=O)COC(=O)CCCNC(=O)[O-])C1CC1	ZINC000736204087	581715371	/nfs/dbraw/zinc/71/53/71/581715371.db2.gz	XQOKUCJNKWKECT-ZDUSSCGKSA-N	-1	0	297.311	0.386	20	30		CCEDRM
CCCCc1nc(Cn2ccc(C=NO)nc2=O)no1	ZINC000736301970	581733385	/nfs/dbraw/zinc/73/33/85/581733385.db2.gz	FGBVCKZWGJDFLQ-UHFFFAOYSA-N	-1	0	277.284	0.825	20	30		CCEDRM
CC(C)[C@@H](C#N)N1CCN(C(=O)CCNC(=O)[O-])CC1	ZINC000736346919	581745711	/nfs/dbraw/zinc/74/57/11/581745711.db2.gz	CPIJGYVQGAIYTF-LLVKDONJSA-N	-1	0	282.344	0.336	20	30		CCEDRM
Cn1ccnc1C(=O)C(C#N)=C([O-])c1cccc(C(N)=O)c1	ZINC000770865944	581775270	/nfs/dbraw/zinc/77/52/70/581775270.db2.gz	JQPFDUPNSBNDOZ-LLVKDONJSA-N	-1	0	296.286	0.724	20	30		CCEDRM
C=CCCOCC(=O)C(C#N)=C([O-])c1nccn1C	ZINC000770862493	581775573	/nfs/dbraw/zinc/77/55/73/581775573.db2.gz	NSDXWPDWFVYIGX-JTQLQIEISA-N	-1	0	261.281	0.904	20	30		CCEDRM
CCC(=O)N[C@H](C)C(=O)C(C#N)=C([O-])c1nccn1C	ZINC000770861984	581775686	/nfs/dbraw/zinc/77/56/86/581775686.db2.gz	KZBRORQKPQWREC-RKDXNWHRSA-N	-1	0	276.296	0.226	20	30		CCEDRM
C[C@@H](c1nc(C2CC2)no1)n1ccc(C=NO)nc1=O	ZINC000742359396	581780174	/nfs/dbraw/zinc/78/01/74/581780174.db2.gz	XCMVLGPOXJQIHQ-ZETCQYMHSA-N	-1	0	275.268	0.921	20	30		CCEDRM
Cc1nn(C)cc1C(=O)/C=C\c1cn(CC(=O)[O-])nn1	ZINC000759074530	581781741	/nfs/dbraw/zinc/78/17/41/581781741.db2.gz	ASJLCDIDOAVUIC-ARJAWSKDSA-N	-1	0	275.268	0.301	20	30		CCEDRM
Cc1nn(C)cc1C(=O)/C=C/c1cn(CC(=O)[O-])nn1	ZINC000759074534	581782054	/nfs/dbraw/zinc/78/20/54/581782054.db2.gz	ASJLCDIDOAVUIC-ONEGZZNKSA-N	-1	0	275.268	0.301	20	30		CCEDRM
CC(C)n1ccc(C(=O)N(CC#N)CC(=O)[O-])n1	ZINC000736532269	581784844	/nfs/dbraw/zinc/78/48/44/581784844.db2.gz	GILOQQZTUOQYDK-UHFFFAOYSA-N	-1	0	250.258	0.514	20	30		CCEDRM
CNC(=O)C(C#N)=C([O-])c1ccc2c(c1)CCC(=O)N2C	ZINC000759216660	581787411	/nfs/dbraw/zinc/78/74/11/581787411.db2.gz	OQTZDBPQNJBXOS-LLVKDONJSA-N	-1	0	285.303	0.664	20	30		CCEDRM
COC[C@@](C)(O)C(=O)Nc1cc(C#N)ccc1[O-]	ZINC000759720445	581818165	/nfs/dbraw/zinc/81/81/65/581818165.db2.gz	FXESCWQKFUYZPB-GFCCVEGCSA-N	-1	0	250.254	0.600	20	30		CCEDRM
C[C@H](OC(=O)[C@@H]1C[C@H]1C(=O)[O-])C(=O)N(C)CCC#N	ZINC000736689087	581818357	/nfs/dbraw/zinc/81/83/57/581818357.db2.gz	YEFPYXBNEMZAHW-DJLDLDEBSA-N	-1	0	268.269	0.011	20	30		CCEDRM
Cc1c(C([O-])=C(C#N)C(=O)NCc2ccccc2)nnn1C	ZINC000744027289	581830480	/nfs/dbraw/zinc/83/04/80/581830480.db2.gz	OXQMJHAGPWLQGO-GFCCVEGCSA-N	-1	0	297.318	0.762	20	30		CCEDRM
C=CCOCCCC(=O)[N-]S(=O)(=O)[C@H]1CCOC1	ZINC000744138057	581832605	/nfs/dbraw/zinc/83/26/05/581832605.db2.gz	ZKOWJXKFNBFJPO-JTQLQIEISA-N	-1	0	277.342	0.204	20	30		CCEDRM
C=CCOCCCC(=O)[N-]S(=O)(=O)CC(F)(F)F	ZINC000744267185	581836932	/nfs/dbraw/zinc/83/69/32/581836932.db2.gz	TXXXLZJELHIOCF-UHFFFAOYSA-N	-1	0	289.275	0.978	20	30		CCEDRM
C=CCS(=O)(=O)[N-]C(=O)CCn1nc(C)cc1C	ZINC000772711025	581884797	/nfs/dbraw/zinc/88/47/97/581884797.db2.gz	RKVRWULJMFXMCU-UHFFFAOYSA-N	-1	0	271.342	0.522	20	30		CCEDRM
C=CCS(=O)(=O)[N-]C(=O)c1ccc2nccnc2c1	ZINC000761123387	581890344	/nfs/dbraw/zinc/89/03/44/581890344.db2.gz	IHCKPYHNYWSSOT-UHFFFAOYSA-N	-1	0	277.305	0.875	20	30		CCEDRM
C=CCCO[C@@H](C)C(=O)N1CCSC[C@@H]1c1nnn[n-]1	ZINC000773163269	581911731	/nfs/dbraw/zinc/91/17/31/581911731.db2.gz	UOCIVBQGMICMQY-VHSXEESVSA-N	-1	0	297.384	0.797	20	30		CCEDRM
CN1CCC(=Nn2c(=O)c3ccccc3[n-]c2=S)C1=O	ZINC000761785703	581920751	/nfs/dbraw/zinc/92/07/51/581920751.db2.gz	KJNPKKYXXXWQEW-UHFFFAOYSA-N	-1	0	288.332	0.751	20	30		CCEDRM
N#CCn1cc(NC(=O)c2nc3ccccc3c(=O)[n-]2)cn1	ZINC000747459413	581941770	/nfs/dbraw/zinc/94/17/70/581941770.db2.gz	OHGUHCRGUILCCN-UHFFFAOYSA-N	-1	0	294.274	0.895	20	30		CCEDRM
N#CC(C(=O)NC1CC1)=C([O-])c1cccc(-n2cccn2)n1	ZINC000737317308	581944731	/nfs/dbraw/zinc/94/47/31/581944731.db2.gz	VZGMMHCVIACNSN-LLVKDONJSA-N	-1	0	295.302	0.868	20	30		CCEDRM
COCCCNC(=O)C(C#N)=C([O-])c1ccc(C(C)=O)o1	ZINC000774042651	581954619	/nfs/dbraw/zinc/95/46/19/581954619.db2.gz	HIBPSLOBGQVJFE-SNVBAGLBSA-N	-1	0	292.291	0.957	20	30		CCEDRM
CN(CCS(C)(=O)=O)[C@H](C(=O)[O-])c1ccc(C#N)cc1	ZINC000737449179	581960271	/nfs/dbraw/zinc/96/02/71/581960271.db2.gz	NKJGDLICIOVPSM-LBPRGKRZSA-N	-1	0	296.348	0.660	20	30		CCEDRM
C=CCS(=O)(=O)[N-]C(=O)c1csc(NC(C)=O)n1	ZINC000763032563	581979005	/nfs/dbraw/zinc/97/90/05/581979005.db2.gz	DVEATQAIGXTNGO-UHFFFAOYSA-N	-1	0	289.338	0.347	20	30		CCEDRM
COC(=O)CN(CC(=O)[O-])Cc1ccc(C#N)cc1	ZINC000737615714	581992073	/nfs/dbraw/zinc/99/20/73/581992073.db2.gz	PHIBIOGNOQXDKD-UHFFFAOYSA-N	-1	0	262.265	0.618	20	30		CCEDRM
COC(=O)CN(CC(=O)[O-])Cc1ccc(OCC#N)cc1	ZINC000737616283	581992174	/nfs/dbraw/zinc/99/21/74/581992174.db2.gz	VGTBWEHXLGPRNZ-UHFFFAOYSA-N	-1	0	292.291	0.649	20	30		CCEDRM
C#CCOc1ccc(C(=O)OCc2n[nH]c(=O)[n-]2)cc1	ZINC000774958508	582005158	/nfs/dbraw/zinc/00/51/58/582005158.db2.gz	AUKBRYGEJFKQFH-UHFFFAOYSA-N	-1	0	273.248	0.879	20	30		CCEDRM
CN(CCC(=O)[O-])C(=O)CNC(=O)c1ccc(C#N)cc1	ZINC000737988809	582012306	/nfs/dbraw/zinc/01/23/06/582012306.db2.gz	DCPXGUZFKBGVTM-UHFFFAOYSA-N	-1	0	289.291	0.221	20	30		CCEDRM
COc1ccc(NC(=O)C(=O)N(CC#N)CC(=O)[O-])cc1	ZINC000738021485	582016678	/nfs/dbraw/zinc/01/66/78/582016678.db2.gz	IWYJHIBETDNWOB-UHFFFAOYSA-N	-1	0	291.263	0.070	20	30		CCEDRM
N#C[C@@H]1CN(C(=O)Nc2nc(CC(=O)[O-])cs2)CCO1	ZINC000738421423	582047705	/nfs/dbraw/zinc/04/77/05/582047705.db2.gz	DAYVEEKFKUFZNV-MRVPVSSYSA-N	-1	0	296.308	0.526	20	30		CCEDRM
N#Cc1ccc(C(=O)N2CCC[C@H](NC(=O)[O-])C2)cn1	ZINC000738430517	582048880	/nfs/dbraw/zinc/04/88/80/582048880.db2.gz	KPMNJBZAHRQRDH-NSHDSACASA-N	-1	0	274.280	0.825	20	30		CCEDRM
N#Cc1ccc(SCC(=O)NCC(=O)[O-])cc1	ZINC000738434982	582048911	/nfs/dbraw/zinc/04/89/11/582048911.db2.gz	RSSZYYOCIKNRCX-UHFFFAOYSA-N	-1	0	250.279	0.851	20	30		CCEDRM
N#Cc1nnc2ccccc2c1N1CCO[C@@H](C(=O)[O-])C1	ZINC000738435648	582049690	/nfs/dbraw/zinc/04/96/90/582049690.db2.gz	RBRIDSBXQLAYDF-GFCCVEGCSA-N	-1	0	284.275	0.791	20	30		CCEDRM
C#CCOc1ccccc1NC(=O)NCc1n[nH]c(=O)[n-]1	ZINC000776095849	582050689	/nfs/dbraw/zinc/05/06/89/582050689.db2.gz	NENVQQSRXWEYCL-UHFFFAOYSA-N	-1	0	287.279	0.844	20	30		CCEDRM
CN(CC(=O)[N-]S(=O)(=O)CCCC#N)c1ccccc1	ZINC000776122401	582052779	/nfs/dbraw/zinc/05/27/79/582052779.db2.gz	QNNBKPPRPHSFSG-UHFFFAOYSA-N	-1	0	295.364	0.873	20	30		CCEDRM
Cn1cc(/C=C\C(=O)[N-]S(=O)(=O)CCCC#N)cn1	ZINC000776122869	582052880	/nfs/dbraw/zinc/05/28/80/582052880.db2.gz	UAPXPLJVGAJKDO-PLNGDYQASA-N	-1	0	282.325	0.183	20	30		CCEDRM
C#CCNC(=O)COC(=O)[C@H](NC(=O)[O-])c1ccccc1	ZINC000738463549	582053795	/nfs/dbraw/zinc/05/37/95/582053795.db2.gz	VNFUSAAZXXROHK-GFCCVEGCSA-N	-1	0	290.275	0.288	20	30		CCEDRM
C#CCNC(=O)NCc1ccc(CCNC(=O)[O-])cc1	ZINC000738463101	582053885	/nfs/dbraw/zinc/05/38/85/582053885.db2.gz	MTAIPUAWZSDBKV-UHFFFAOYSA-N	-1	0	275.308	0.929	20	30		CCEDRM
CC(C)(C#N)CS(=O)(=O)[N-]C(=O)[C@H]1CCCCO1	ZINC000776141028	582053983	/nfs/dbraw/zinc/05/39/83/582053983.db2.gz	VFENGBVJGRWBJB-SECBINFHSA-N	-1	0	274.342	0.551	20	30		CCEDRM
CC(C)(C#N)CS(=O)(=O)[N-]C(=O)C[C@@H]1CCCO1	ZINC000776140780	582053986	/nfs/dbraw/zinc/05/39/86/582053986.db2.gz	KJTJYEMVLBLLGI-VIFPVBQESA-N	-1	0	274.342	0.551	20	30		CCEDRM
CC(C)(C#N)CS(=O)(=O)[N-]C(=O)C1(C)CCOCC1	ZINC000776142021	582054085	/nfs/dbraw/zinc/05/40/85/582054085.db2.gz	GRDGMAMLBVVJKO-UHFFFAOYSA-N	-1	0	288.369	0.799	20	30		CCEDRM
C#Cc1cccc(NC(=O)[C@@H]2COCCN2C(=O)[O-])c1	ZINC000738467191	582054384	/nfs/dbraw/zinc/05/43/84/582054384.db2.gz	KDGXXYPMHYGGJQ-LBPRGKRZSA-N	-1	0	274.276	0.985	20	30		CCEDRM
C#CCSCCNC(=O)[C@@H](CCC)NC(=O)[O-]	ZINC000738470903	582054406	/nfs/dbraw/zinc/05/44/06/582054406.db2.gz	UAIOHMZBFUEBRY-SECBINFHSA-N	-1	0	258.343	0.905	20	30		CCEDRM
CC[C@@H]1CC[C@@H](C(=O)[N-]S(=O)(=O)CC(C)(C)C#N)O1	ZINC000776143619	582054545	/nfs/dbraw/zinc/05/45/45/582054545.db2.gz	IWXCKFZQWYIJCT-ZJUUUORDSA-N	-1	0	288.369	0.940	20	30		CCEDRM
CC[C@@H]1CC[C@H](C(=O)[N-]S(=O)(=O)CC(C)(C)C#N)O1	ZINC000776143613	582054683	/nfs/dbraw/zinc/05/46/83/582054683.db2.gz	IWXCKFZQWYIJCT-NXEZZACHSA-N	-1	0	288.369	0.940	20	30		CCEDRM
COCCCNC(=O)C(C#N)=C([O-])c1ncccc1C	ZINC000750683425	582056250	/nfs/dbraw/zinc/05/62/50/582056250.db2.gz	TVYIXEVGJZDRGR-LLVKDONJSA-N	-1	0	275.308	0.865	20	30		CCEDRM
C=CCNC(=O)COC(=O)c1csc(CNC(=O)[O-])n1	ZINC000738496273	582056483	/nfs/dbraw/zinc/05/64/83/582056483.db2.gz	VFSKPCRITBULKM-UHFFFAOYSA-N	-1	0	299.308	0.370	20	30		CCEDRM
C=CCn1nnn(CN2CC[C@H](NC(=O)[O-])C2)c1=S	ZINC000738503508	582056978	/nfs/dbraw/zinc/05/69/78/582056978.db2.gz	RDTJTBYCUKAYPL-QMMMGPOBSA-N	-1	0	284.345	0.294	20	30		CCEDRM
C=CCn1nnn(CN2CCC(C(=O)[O-])CC2)c1=S	ZINC000738504234	582057373	/nfs/dbraw/zinc/05/73/73/582057373.db2.gz	YPFFWAXSHNUUCS-UHFFFAOYSA-N	-1	0	283.357	0.749	20	30		CCEDRM
Cn1ccnc1C([O-])=C(C#N)C(=O)[C@H]1C[C@@]12CCOC2	ZINC000764781590	582068466	/nfs/dbraw/zinc/06/84/66/582068466.db2.gz	DWYRJQWUZCDTSO-GPCCPHFNSA-N	-1	0	273.292	0.738	20	30		CCEDRM
Cn1nncc1C=Nn1c(=O)c2ccccc2[n-]c1=S	ZINC000751133318	582071413	/nfs/dbraw/zinc/07/14/13/582071413.db2.gz	DFUGQTAAVREOJN-UHFFFAOYSA-N	-1	0	286.320	0.696	20	30		CCEDRM
CC[C@@H](CNS(=O)(=O)CCCCC#N)C(=O)[O-]	ZINC000776539448	582076441	/nfs/dbraw/zinc/07/64/41/582076441.db2.gz	WHLKMOFVCGSOGO-VIFPVBQESA-N	-1	0	262.331	0.710	20	30		CCEDRM
CC(C)[C@@H](CNS(=O)(=O)CCCC#N)NC(=O)[O-]	ZINC000738793873	582077044	/nfs/dbraw/zinc/07/70/44/582077044.db2.gz	NCOVRAROQKHWOX-SECBINFHSA-N	-1	0	277.346	0.502	20	30		CCEDRM
Cc1noc(C)c1[C@H](C)C(=O)N(CC#N)CC(=O)[O-]	ZINC000738939441	582091408	/nfs/dbraw/zinc/09/14/08/582091408.db2.gz	ATQUJYQQZFTHAZ-ZETCQYMHSA-N	-1	0	265.269	0.832	20	30		CCEDRM
C[C@@H](OC(=O)[C@@H]1CCCN1C(=O)[O-])C(=O)N(C)CCC#N	ZINC000739041375	582099097	/nfs/dbraw/zinc/09/90/97/582099097.db2.gz	ATJPBMDPEOSXEY-ZJUUUORDSA-N	-1	0	297.311	0.433	20	30		CCEDRM
N#C[C@H](C(=O)CCNC(=O)[O-])C(=O)NC1CCCCC1	ZINC000739074483	582101301	/nfs/dbraw/zinc/10/13/01/582101301.db2.gz	KFIMNJUWVVNMDP-SNVBAGLBSA-N	-1	0	281.312	0.802	20	30		CCEDRM
N#C[C@H](C(=O)Nc1ccccn1)C(=O)[C@@H]1C[C@@H]1C(=O)[O-]	ZINC000739074061	582101307	/nfs/dbraw/zinc/10/13/07/582101307.db2.gz	GQLNBJFQGYFEII-VGMNWLOBSA-N	-1	0	273.248	0.450	20	30		CCEDRM
N#CCN(CC(=O)[O-])C(=O)Cc1cn2ccccc2n1	ZINC000739078870	582101612	/nfs/dbraw/zinc/10/16/12/582101612.db2.gz	OLUGYDCXGJZKFV-UHFFFAOYSA-N	-1	0	272.264	0.314	20	30		CCEDRM
N#CCN(CC(=O)[O-])C(=O)c1ccc(Cl)cn1	ZINC000739085910	582101782	/nfs/dbraw/zinc/10/17/82/582101782.db2.gz	FEROYYLLCYRXEV-UHFFFAOYSA-N	-1	0	253.645	0.785	20	30		CCEDRM
N#CCN(CC(=O)[O-])C(=O)c1cc2ccccc2c(=O)[nH]1	ZINC000739085842	582101887	/nfs/dbraw/zinc/10/18/87/582101887.db2.gz	DGGZMBQVSXXJRO-UHFFFAOYSA-N	-1	0	285.259	0.991	20	30		CCEDRM
N#Cc1ccc(C(=O)Nc2n[nH]c(CC(=O)[O-])n2)cc1	ZINC000739105865	582102614	/nfs/dbraw/zinc/10/26/14/582102614.db2.gz	OGDZRKTZNONZSP-UHFFFAOYSA-N	-1	0	271.236	0.556	20	30		CCEDRM
CC(C)CCNC(=S)NN=Cc1cn(CC(=O)[O-])nn1	ZINC000768481568	582107346	/nfs/dbraw/zinc/10/73/46/582107346.db2.gz	BOEPWLOCAIZNRY-UHFFFAOYSA-N	-1	0	298.372	0.207	20	30		CCEDRM
C=C(Br)CNC(=O)N[C@H](CF)C(=O)[O-]	ZINC000837298433	613237604	/nfs/dbraw/zinc/23/76/04/613237604.db2.gz	NIDIHIDWZMTGCV-RXMQYKEDSA-N	-1	0	269.070	0.617	20	30		CCEDRM
C#CCCCNC(=O)N[C@@H](C(=O)[O-])C1CCOCC1	ZINC000909028488	612982144	/nfs/dbraw/zinc/98/21/44/612982144.db2.gz	SDUVFARCFGFZDK-LLVKDONJSA-N	-1	0	268.313	0.579	20	30		CCEDRM
N#Cc1ccc(CSCC(=O)NCC(=O)[O-])cc1	ZINC000096567265	597026149	/nfs/dbraw/zinc/02/61/49/597026149.db2.gz	DOZVFTKPJNQFSI-UHFFFAOYSA-N	-1	0	264.306	0.992	20	30		CCEDRM
CC[C@H](C)[C@H](NS(=O)(=O)CCCC#N)C(=O)[O-]	ZINC000261737354	597396055	/nfs/dbraw/zinc/39/60/55/597396055.db2.gz	UABPWFCMLDUVER-IUCAKERBSA-N	-1	0	262.331	0.709	20	30		CCEDRM
N#CCCn1ccc(NC(=O)N2CCO[C@@H](C(=O)[O-])C2)n1	ZINC000819090767	597411898	/nfs/dbraw/zinc/41/18/98/597411898.db2.gz	AUQHFBNCJCHSJI-SECBINFHSA-N	-1	0	293.283	0.114	20	30		CCEDRM
C[C@@H](C(=O)[O-])N(C)CC(=O)NCc1cccc(C#N)c1	ZINC000817772302	597476368	/nfs/dbraw/zinc/47/63/68/597476368.db2.gz	SKDVNDSOKDFLJT-JTQLQIEISA-N	-1	0	275.308	0.579	20	30		CCEDRM
C[C@@](C#N)(CC(=O)[O-])C(=O)OCC(=O)C1CCOCC1	ZINC000819866083	597619554	/nfs/dbraw/zinc/61/95/54/597619554.db2.gz	RJXFFPLJNOTMOL-ZDUSSCGKSA-N	-1	0	283.280	0.530	20	30		CCEDRM
Cc1nnc(COC(=O)[C@](C)(C#N)CC(=O)[O-])o1	ZINC000821224709	597625602	/nfs/dbraw/zinc/62/56/02/597625602.db2.gz	IKSNWFAFSANBOO-JTQLQIEISA-N	-1	0	253.214	0.426	20	30		CCEDRM
C[C@@H](NC(=O)[C@@](C)(C#N)CC(=O)[O-])c1nnc2n1CCC2	ZINC000820113937	597632090	/nfs/dbraw/zinc/63/20/90/597632090.db2.gz	IVEGGBMOHVVXSD-AMIZOPFISA-N	-1	0	291.311	0.406	20	30		CCEDRM
C[C@@](C#N)(CC(=O)[O-])C(=O)NCC(=O)N1CCCCC1	ZINC000819832251	597634112	/nfs/dbraw/zinc/63/41/12/597634112.db2.gz	ANAXSWFDBPLHJC-ZDUSSCGKSA-N	-1	0	281.312	0.120	20	30		CCEDRM
C[C@@](C#N)(CC(=O)[O-])C(=O)NCCCCn1ccnc1	ZINC000819832478	597636224	/nfs/dbraw/zinc/63/62/24/597636224.db2.gz	BNMRJXKTLKMMJW-ZDUSSCGKSA-N	-1	0	278.312	0.784	20	30		CCEDRM
C[C@H](CN1CCCC1=O)NC(=O)[C@](C)(C#N)CC(=O)[O-]	ZINC000820095652	597636285	/nfs/dbraw/zinc/63/62/85/597636285.db2.gz	LBBAMZKDVANIIL-RNCFNFMXSA-N	-1	0	281.312	0.118	20	30		CCEDRM
C[C@@](C#N)(CC(=O)[O-])C(=O)NCC1(O)CCCCC1	ZINC000819832393	597649494	/nfs/dbraw/zinc/64/94/94/597649494.db2.gz	AZPUTJNMYQUQFD-LBPRGKRZSA-N	-1	0	268.313	0.802	20	30		CCEDRM
C[C@](C#N)(CC(=O)[O-])C(=O)N[C@H](CO)CC(F)(F)F	ZINC000819822519	597662640	/nfs/dbraw/zinc/66/26/40/597662640.db2.gz	OPAFMIIUBUSDRQ-IMTBSYHQSA-N	-1	0	282.218	0.420	20	30		CCEDRM
Cc1nc(CN(C)C(=O)[C@](C)(C#N)CC(=O)[O-])no1	ZINC000821171220	597671327	/nfs/dbraw/zinc/67/13/27/597671327.db2.gz	KGCYSVWPLYMDNW-NSHDSACASA-N	-1	0	266.257	0.341	20	30		CCEDRM
O=C([O-])CCNN=C1C(=O)Nc2cc(F)ccc21	ZINC000821524528	597742518	/nfs/dbraw/zinc/74/25/18/597742518.db2.gz	DAQKDHIBYXFYPQ-UHFFFAOYSA-N	-1	0	251.217	0.546	20	30		CCEDRM
N#Cc1cccc(CN2CCO[C@H](C(=O)[O-])C2)c1F	ZINC000222390048	598172143	/nfs/dbraw/zinc/17/21/43/598172143.db2.gz	XWBQOFCAYKILDC-NSHDSACASA-N	-1	0	264.256	0.983	20	30		CCEDRM
O=C([O-])c1cccc(C=NNc2nc3[nH][nH]cc-3c(=O)n2)c1	ZINC000814843078	598201551	/nfs/dbraw/zinc/20/15/51/598201551.db2.gz	KPDNVVCDVDORKL-UHFFFAOYSA-N	-1	0	298.262	0.576	20	30		CCEDRM
C[C@](C#N)(CC(=O)[O-])C(=O)N[C@@H]1CCC[C@@H](C(N)=O)C1	ZINC000819823051	598230622	/nfs/dbraw/zinc/23/06/22/598230622.db2.gz	RLOMPSLIRHGTJW-JRKPZEMJSA-N	-1	0	281.312	0.151	20	30		CCEDRM
COCCN(CCC#N)CC(=O)N1CCC(C(=O)[O-])CC1	ZINC000071226629	601017031	/nfs/dbraw/zinc/01/70/31/601017031.db2.gz	QUGKRQWDDNRRHO-UHFFFAOYSA-N	-1	0	297.355	0.172	20	30		CCEDRM
C#CCO[N-]C(=O)c1cnc2sc(C)cn2c1=O	ZINC000812786210	612993807	/nfs/dbraw/zinc/99/38/07/612993807.db2.gz	CTJVQLWEJQGXFO-UHFFFAOYSA-N	-1	0	263.278	0.359	20	30		CCEDRM
C#CCO[C@H](C)C(=O)[N-]S(=O)(=O)C[C@H]1CCCCO1	ZINC000835126473	613002035	/nfs/dbraw/zinc/00/20/35/613002035.db2.gz	HUDJFISTQIFVBL-GHMZBOCLSA-N	-1	0	289.353	0.040	20	30		CCEDRM
C#CCO[C@H](C)C(=O)[N-]S(=O)(=O)[C@@H]1COC(C)(C)C1	ZINC000861138168	613002099	/nfs/dbraw/zinc/00/20/99/613002099.db2.gz	ADCINUOKXOYTHQ-ZJUUUORDSA-N	-1	0	289.353	0.038	20	30		CCEDRM
C#CCO[C@H](C)C(=O)NC1(C(=O)[O-])CCSCC1	ZINC000909346027	613001024	/nfs/dbraw/zinc/00/10/24/613001024.db2.gz	DHDQWFHFXULKOI-SECBINFHSA-N	-1	0	271.338	0.491	20	30		CCEDRM
C#CCO[C@H](C)C(=O)[N-]S(=O)(=O)c1cc(C)oc1C	ZINC000835275488	613002272	/nfs/dbraw/zinc/00/22/72/613002272.db2.gz	HLVNNIICSMUJMI-SNVBAGLBSA-N	-1	0	285.321	0.740	20	30		CCEDRM
CCC[C@](C)(NS(=O)(=O)c1ccc(C#N)nc1)C(=O)[O-]	ZINC000228697200	599725080	/nfs/dbraw/zinc/72/50/80/599725080.db2.gz	JWJOHPAIBLESIA-LBPRGKRZSA-N	-1	0	297.336	0.875	20	30		CCEDRM
C[C@H](C#N)CN(C)S(=O)(=O)c1ccc(C(=O)[O-])o1	ZINC000037838481	599770322	/nfs/dbraw/zinc/77/03/22/599770322.db2.gz	JSXQGJPVORHMIJ-SSDOTTSWSA-N	-1	0	272.282	0.758	20	30		CCEDRM
O=C([O-])c1ccc(C=NNc2nc3[nH][nH]cc-3c(=O)n2)o1	ZINC000740122434	599886897	/nfs/dbraw/zinc/88/68/97/599886897.db2.gz	DMVFQIPTGBFJLB-UHFFFAOYSA-N	-1	0	288.223	0.169	20	30		CCEDRM
Cc1c(C(=O)[O-])cccc1S(=O)(=O)N(CC#N)CC#N	ZINC000113456785	599936441	/nfs/dbraw/zinc/93/64/41/599936441.db2.gz	JEWJDPLBRFFKGZ-UHFFFAOYSA-N	-1	0	293.304	0.731	20	30		CCEDRM
C#CCNC(=O)N1C[C@H](C(=O)[O-])C[C@@H](c2cnn(C)c2)C1	ZINC000864345252	612946559	/nfs/dbraw/zinc/94/65/59/612946559.db2.gz	RPHRROFOYURPQB-GHMZBOCLSA-N	-1	0	290.323	0.253	20	30		CCEDRM
C#CC(C)(C)NS(=O)(=O)c1ccc(C(=O)[O-])o1	ZINC000070118914	600399660	/nfs/dbraw/zinc/39/96/60/600399660.db2.gz	NZEXTXSQXMIOLC-UHFFFAOYSA-N	-1	0	257.267	0.668	20	30		CCEDRM
C#CCNC(=O)NC[C@@H](NC(=O)[O-])c1ccccc1	ZINC000823455889	612946912	/nfs/dbraw/zinc/94/69/12/612946912.db2.gz	HTNVIOJUKCUVLF-LLVKDONJSA-N	-1	0	261.281	0.928	20	30		CCEDRM
Cc1ccsc1S(=O)(=O)N(CC#N)CC(=O)[O-]	ZINC000832984374	600754649	/nfs/dbraw/zinc/75/46/49/600754649.db2.gz	OCKVANJMGPWIQK-UHFFFAOYSA-N	-1	0	274.323	0.655	20	30		CCEDRM
N#C[C@@H]1COCCN1CC(=O)Nc1ccccc1C(=O)[O-]	ZINC000833061518	601041754	/nfs/dbraw/zinc/04/17/54/601041754.db2.gz	COENGGREXLLRHS-SNVBAGLBSA-N	-1	0	289.291	0.548	20	30		CCEDRM
N#CCN(CC(=O)[O-])C[C@H](O)COc1ccccc1	ZINC000833066984	601226315	/nfs/dbraw/zinc/22/63/15/601226315.db2.gz	MXANHCJBWRIQHD-NSHDSACASA-N	-1	0	264.281	0.336	20	30		CCEDRM
N#CCN(CCC(=O)NC1CCCC1)CC(=O)[O-]	ZINC000833066569	601226318	/nfs/dbraw/zinc/22/63/18/601226318.db2.gz	BMTRBJUOPNPFFY-UHFFFAOYSA-N	-1	0	253.302	0.345	20	30		CCEDRM
N#CCN(CC(=O)[O-])C[C@H](O)COCc1ccco1	ZINC000833067110	601242444	/nfs/dbraw/zinc/24/24/44/601242444.db2.gz	PMCXPOSLVIAAEX-JTQLQIEISA-N	-1	0	268.269	0.067	20	30		CCEDRM
N#CCN(CC(=O)[O-])C[C@H](O)COCc1cccs1	ZINC000833067812	601242451	/nfs/dbraw/zinc/24/24/51/601242451.db2.gz	YLVHRWQLSQCKNG-JTQLQIEISA-N	-1	0	284.337	0.536	20	30		CCEDRM
Cc1ccccc1S(=O)(=O)N(CC#N)CC(=O)[O-]	ZINC000832981994	601248231	/nfs/dbraw/zinc/24/82/31/601248231.db2.gz	SWCWGTCKYPDVGL-UHFFFAOYSA-N	-1	0	268.294	0.594	20	30		CCEDRM
C[C@@H](CS(=O)(=O)Oc1ccc(C#N)cc1)C(=O)[O-]	ZINC000827571597	601271844	/nfs/dbraw/zinc/27/18/44/601271844.db2.gz	NBKZQRMVEFJPPH-QMMMGPOBSA-N	-1	0	269.278	0.988	20	30		CCEDRM
C=CCN(C(=O)Cn1cc(C(=O)[O-])nn1)C(C)C	ZINC000165789142	601281877	/nfs/dbraw/zinc/28/18/77/601281877.db2.gz	TVBZDTFNSBIKJY-UHFFFAOYSA-N	-1	0	252.274	0.399	20	30		CCEDRM
N#CCN(CC(=O)[O-])C(=O)c1cccc([N+](=O)[O-])c1N	ZINC000833066251	601286489	/nfs/dbraw/zinc/28/64/89/601286489.db2.gz	RGPVKPWABMGTHD-UHFFFAOYSA-N	-1	0	278.224	0.227	20	30		CCEDRM
C#CCNC(=O)[C@@H](C)OC(=O)C(C)(C)C(C)(C)NC(=O)[O-]	ZINC000823457452	612948360	/nfs/dbraw/zinc/94/83/60/612948360.db2.gz	ZUUAFVLSFQYDSZ-SECBINFHSA-N	-1	0	298.339	0.740	20	30		CCEDRM
C[C@](C#N)(NC(=O)CN1CC[C@](F)(C(=O)[O-])C1)C1CC1	ZINC000825966974	601436624	/nfs/dbraw/zinc/43/66/24/601436624.db2.gz	PNVUJTQYDNSHDZ-CHWSQXEVSA-N	-1	0	283.303	0.293	20	30		CCEDRM
N#Cc1ccccc1OCC(=O)N[C@@H](C(=O)[O-])C1CC1	ZINC000054503376	601590458	/nfs/dbraw/zinc/59/04/58/601590458.db2.gz	SMOSVYCFTBYZHW-CYBMUJFWSA-N	-1	0	274.276	0.916	20	30		CCEDRM
C#CCNC(=O)[C@@H](C)OC(=O)C[C@@H]1CCCN1C(=O)[O-]	ZINC000823457446	612948569	/nfs/dbraw/zinc/94/85/69/612948569.db2.gz	ZOLKHLJFAMWPGK-ZJUUUORDSA-N	-1	0	282.296	0.200	20	30		CCEDRM
N#Cc1ccc(C(=O)N2CC[C@](F)(C(=O)[O-])C2)cn1	ZINC000833071296	601652134	/nfs/dbraw/zinc/65/21/34/601652134.db2.gz	ZUFDITCBAGPEAK-GFCCVEGCSA-N	-1	0	263.228	0.592	20	30		CCEDRM
C#CCSCCNC(=O)N1C[C@@H](C)[C@H](C(=O)[O-])C1	ZINC000231960259	601663861	/nfs/dbraw/zinc/66/38/61/601663861.db2.gz	QESCHLFWZODRTD-NXEZZACHSA-N	-1	0	270.354	0.715	20	30		CCEDRM
C#CCSCCNC(=O)N1C[C@H](C)[C@@H](C(=O)[O-])C1	ZINC000231960257	601663992	/nfs/dbraw/zinc/66/39/92/601663992.db2.gz	QESCHLFWZODRTD-UWVGGRQHSA-N	-1	0	270.354	0.715	20	30		CCEDRM
N#C[C@@H]1COCCN1C(=O)c1ccc(C(=O)[O-])cn1	ZINC000833063101	601678363	/nfs/dbraw/zinc/67/83/63/601678363.db2.gz	SGVHIFLSVQBEGY-SECBINFHSA-N	-1	0	261.237	0.144	20	30		CCEDRM
C[C@]1(C(=O)[O-])CCN(C(=O)C2(C#N)CCOCC2)C1	ZINC000827980565	602001767	/nfs/dbraw/zinc/00/17/67/602001767.db2.gz	DGTZLPMURUPLDC-LBPRGKRZSA-N	-1	0	266.297	0.630	20	30		CCEDRM
N#CCNS(=O)(=O)c1cc(F)ccc1C(=O)[O-]	ZINC000833067526	602154229	/nfs/dbraw/zinc/15/42/29/602154229.db2.gz	FHKRKHORPZBTMC-UHFFFAOYSA-N	-1	0	258.230	0.326	20	30		CCEDRM
C[C@@H](CC(=O)N(CCC#N)CCC#N)NC(=O)[O-]	ZINC000824558732	603389656	/nfs/dbraw/zinc/38/96/56/603389656.db2.gz	VZCAAZWLOQDCDR-VIFPVBQESA-N	-1	0	252.274	0.689	20	30		CCEDRM
N#Cc1cnn(C(=O)[C@H]2CC[C@H](NC(=O)[O-])C2)c1N	ZINC000831161758	603521172	/nfs/dbraw/zinc/52/11/72/603521172.db2.gz	KZIWDVRNGSYSRL-XPUUQOCRSA-N	-1	0	263.257	0.413	20	30		CCEDRM
C#CCNC(=O)[C@H](C)OC(=O)c1c(C)[nH]c(C(=O)[O-])c1C	ZINC000825620280	612951433	/nfs/dbraw/zinc/95/14/33/612951433.db2.gz	ZFHZBFFWGOWQPW-VIFPVBQESA-N	-1	0	292.291	0.624	20	30		CCEDRM
N#CCN1CCC(NC(=O)[C@H]2CC[C@@H](NC(=O)[O-])C2)CC1	ZINC000831102777	603580635	/nfs/dbraw/zinc/58/06/35/603580635.db2.gz	UJYJIFFPMIURRR-CMPLNLGQSA-N	-1	0	294.355	0.527	20	30		CCEDRM
N#C[C@@H]1CN(C(=O)[O-])CCN1C(=O)C1CCOCC1	ZINC000831076785	603596611	/nfs/dbraw/zinc/59/66/11/603596611.db2.gz	SVQHWXZKWHXWKO-SNVBAGLBSA-N	-1	0	267.285	0.127	20	30		CCEDRM
N#C[C@H]1CN(C(=O)[O-])CCN1C(=O)c1cn2ccccc2n1	ZINC000831092536	603597254	/nfs/dbraw/zinc/59/72/54/603597254.db2.gz	WMXDSGCITHFEHI-JTQLQIEISA-N	-1	0	299.290	0.662	20	30		CCEDRM
N#C[C@@H]1CN(C(=O)[O-])CCN1C(=O)c1ccccn1	ZINC000831091354	603600809	/nfs/dbraw/zinc/60/08/09/603600809.db2.gz	CBBZWQBAGMMNOO-SECBINFHSA-N	-1	0	260.253	0.410	20	30		CCEDRM
C[C@H](C(=O)N(C)CCC#N)N1CC[C@@H](N(C)C(=O)[O-])C1	ZINC000823653602	603815638	/nfs/dbraw/zinc/81/56/38/603815638.db2.gz	CGYGZYZIYWBSSN-GHMZBOCLSA-N	-1	0	282.344	0.431	20	30		CCEDRM
N#C[C@]1(NC(=O)[C@]2(F)CCN(C(=O)[O-])C2)CCSC1	ZINC000831070058	603843018	/nfs/dbraw/zinc/84/30/18/603843018.db2.gz	CXBMLMRZOCUGEH-MNOVXSKESA-N	-1	0	287.316	0.594	20	30		CCEDRM
N#C[C@H](NC(=O)[C@@H]1CC[C@@H](NC(=O)[O-])C1)C1CC1	ZINC000831070865	603976136	/nfs/dbraw/zinc/97/61/36/603976136.db2.gz	UAYXULJYHRDXJZ-BBBLOLIVSA-N	-1	0	251.286	0.841	20	30		CCEDRM
N#C[C@@H]1CCC[C@H]1NC(=O)COC1CN(C(=O)[O-])C1	ZINC000831076335	604030174	/nfs/dbraw/zinc/03/01/74/604030174.db2.gz	KDVVOVFZJTVWLM-WCBMZHEXSA-N	-1	0	267.285	0.174	20	30		CCEDRM
N#C[C@@H]1CN(C(=O)[O-])CCN1C(=O)c1cccc2[nH]ncc21	ZINC000831092444	604068064	/nfs/dbraw/zinc/06/80/64/604068064.db2.gz	VTDDGBCFHNVLPO-SECBINFHSA-N	-1	0	299.290	0.891	20	30		CCEDRM
N#C[C@H]1CN(C(=O)[O-])CCN1C(=O)CC1(O)CCCC1	ZINC000831076736	604071454	/nfs/dbraw/zinc/07/14/54/604071454.db2.gz	RSGIOGZUMRSUDX-JTQLQIEISA-N	-1	0	281.312	0.396	20	30		CCEDRM
Cn1cc(C#N)cc1C(=O)N1CCN(C(=O)[O-])C[C@H]1C#N	ZINC000830984349	604074302	/nfs/dbraw/zinc/07/43/02/604074302.db2.gz	DITMIMYGAPJRNN-SNVBAGLBSA-N	-1	0	287.279	0.225	20	30		CCEDRM
C[C@H](OCC1CC1)C(=O)N1CCN(C(=O)[O-])C[C@@H]1C#N	ZINC000825609899	604079223	/nfs/dbraw/zinc/07/92/23/604079223.db2.gz	DRECWLXEMXANMH-ONGXEEELSA-N	-1	0	281.312	0.516	20	30		CCEDRM
Cn1cc(C#N)c(NC(=O)N2CCC[C@@H](NC(=O)[O-])C2)n1	ZINC000830984504	604154774	/nfs/dbraw/zinc/15/47/74/604154774.db2.gz	GCJMGBUFUYFNFV-SECBINFHSA-N	-1	0	292.299	0.556	20	30		CCEDRM
Cn1cc(C#N)c(NC(=O)NC2CCN(C(=O)[O-])CC2)n1	ZINC000830985023	604154810	/nfs/dbraw/zinc/15/48/10/604154810.db2.gz	KGNYYFOSZRYKSF-UHFFFAOYSA-N	-1	0	292.299	0.556	20	30		CCEDRM
N#C[C@@H]1CN(C(=O)CC2(NC(=O)[O-])CCC2)CCO1	ZINC000831077021	604156815	/nfs/dbraw/zinc/15/68/15/604156815.db2.gz	VLJOYHYJQVNDIZ-SECBINFHSA-N	-1	0	267.285	0.318	20	30		CCEDRM
N#Cc1ncn(CC(=O)N[C@@H](C(=O)[O-])c2cccs2)n1	ZINC000833079414	604299964	/nfs/dbraw/zinc/29/99/64/604299964.db2.gz	VHIXWAGYZMSDEY-SNVBAGLBSA-N	-1	0	291.292	0.153	20	30		CCEDRM
CC(C)C[C@@H](C#N)NS(=O)(=O)c1cc(C(=O)[O-])n(C)c1	ZINC000833474697	604540484	/nfs/dbraw/zinc/54/04/84/604540484.db2.gz	UKDHDMVJSJSILU-VIFPVBQESA-N	-1	0	299.352	0.940	20	30		CCEDRM
Cc1cncc(/C=C\C(=O)N(CC#N)CC(=O)[O-])c1	ZINC000832986706	604554454	/nfs/dbraw/zinc/55/44/54/604554454.db2.gz	LLZHGSFQYOJMPH-IHWYPQMZSA-N	-1	0	259.265	0.840	20	30		CCEDRM
C[C@@H]1CN([C@@H](C(=O)[O-])c2cccc(C#N)c2)C[C@@H]1O	ZINC000833621778	604569188	/nfs/dbraw/zinc/56/91/88/604569188.db2.gz	JTEZLLYINHPMGV-JIMOISOXSA-N	-1	0	260.293	0.997	20	30		CCEDRM
C#CCN(Cc1c[nH]c(C(=O)[O-])c1)[C@@H]1CCS(=O)(=O)C1	ZINC000833364386	604590870	/nfs/dbraw/zinc/59/08/70/604590870.db2.gz	LMTSDCGGFPYGAR-LLVKDONJSA-N	-1	0	296.348	0.335	20	30		CCEDRM
C[C@H](NC(=O)[O-])[C@H]1CN(CCCSCC#N)CCO1	ZINC000825350639	604596408	/nfs/dbraw/zinc/59/64/08/604596408.db2.gz	JWZKKINUVNCFIZ-WDEREUQCSA-N	-1	0	287.385	0.990	20	30		CCEDRM
C=CCN(C1CC1)S(=O)(=O)c1n[nH]c(C)c1C(=O)[O-]	ZINC000165218136	604901837	/nfs/dbraw/zinc/90/18/37/604901837.db2.gz	CAJTWLLYFYMRQA-UHFFFAOYSA-N	-1	0	285.325	0.755	20	30		CCEDRM
C#CC[C@@H](NC(=O)c1cn(CCC(C)C)nn1)C(=O)[O-]	ZINC000910051474	613042217	/nfs/dbraw/zinc/04/22/17/613042217.db2.gz	WAXDAAGFIRCGAJ-SNVBAGLBSA-N	-1	0	278.312	0.531	20	30		CCEDRM
N#CCCN(CCc1cn(CC(=O)[O-])nn1)CC1CC1	ZINC000833760409	604916904	/nfs/dbraw/zinc/91/69/04/604916904.db2.gz	QONBOCJZODNOSO-UHFFFAOYSA-N	-1	0	277.328	0.531	20	30		CCEDRM
C[C@@H](C(=O)[O-])n1cccc1C=NNS(C)(=O)=O	ZINC000833408192	605041174	/nfs/dbraw/zinc/04/11/74/605041174.db2.gz	XULMMGLOLNSJRP-ZETCQYMHSA-N	-1	0	259.287	0.017	20	30		CCEDRM
N#CC1(OC(=O)C[C@H]2CN(C(=O)[O-])CCO2)CCC1	ZINC000831076314	605087609	/nfs/dbraw/zinc/08/76/09/605087609.db2.gz	JSMSVVSSAJTZQO-VIFPVBQESA-N	-1	0	268.269	0.745	20	30		CCEDRM
N#C[C@@H]1CCC[C@@H]1NC(=O)CO[C@H]1CCCN(C(=O)[O-])C1	ZINC000831077305	605385441	/nfs/dbraw/zinc/38/54/41/605385441.db2.gz	YVSALRRKKNWYSB-SRVKXCTJSA-N	-1	0	295.339	0.954	20	30		CCEDRM
C#CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1C(=O)[O-]	ZINC000833364148	605387681	/nfs/dbraw/zinc/38/76/81/605387681.db2.gz	KHSGOFIESADVOB-UHFFFAOYSA-N	-1	0	284.249	0.205	20	30		CCEDRM
C#CCOCCNS(=O)(=O)c1ccsc1C(=O)[O-]	ZINC000833366486	605418303	/nfs/dbraw/zinc/41/83/03/605418303.db2.gz	YXEAJVODFQSTNM-UHFFFAOYSA-N	-1	0	289.334	0.374	20	30		CCEDRM
C#CCOCCNS(=O)(=O)c1cccc(C)c1C(=O)[O-]	ZINC000833366256	605418466	/nfs/dbraw/zinc/41/84/66/605418466.db2.gz	NWVFWUUOLKTEDF-UHFFFAOYSA-N	-1	0	297.332	0.621	20	30		CCEDRM
N#CC1(NC(=O)CC[C@@H]2CCN(C(=O)[O-])C2)CCOCC1	ZINC000833962983	605472649	/nfs/dbraw/zinc/47/26/49/605472649.db2.gz	DCXWLYKLFGLKQS-LLVKDONJSA-N	-1	0	295.339	0.955	20	30		CCEDRM
C#CCCNC(=O)N(C)CC(C)(C)CNC(=O)[O-]	ZINC000823444002	613046762	/nfs/dbraw/zinc/04/67/62/613046762.db2.gz	APPOVLPFJGOHSG-UHFFFAOYSA-N	-1	0	255.318	0.945	20	30		CCEDRM
N#Cc1ccc(F)c(CNC(=O)C2CN(C(=O)[O-])C2)c1	ZINC000833972484	605558576	/nfs/dbraw/zinc/55/85/76/605558576.db2.gz	AGMAAYZVHFGCFN-UHFFFAOYSA-N	-1	0	277.255	0.923	20	30		CCEDRM
N#Cc1cc(COC(=O)COC2CN(C(=O)[O-])C2)ccn1	ZINC000833970332	605652940	/nfs/dbraw/zinc/65/29/40/605652940.db2.gz	MMISIPPKLNOCPX-UHFFFAOYSA-N	-1	0	291.263	0.375	20	30		CCEDRM
N#C[C@@H]1CN(C(=O)[O-])C[C@@H]1NC[C@H](O)c1ccccc1	ZINC000833968760	605672944	/nfs/dbraw/zinc/67/29/44/605672944.db2.gz	XUXFFJMYVWYUMJ-AGIUHOORSA-N	-1	0	275.308	0.812	20	30		CCEDRM
Cc1onc(CC(=O)N2CCCN(C(=O)[O-])CC2)c1C#N	ZINC000833935239	605680028	/nfs/dbraw/zinc/68/00/28/605680028.db2.gz	FAERQRAMNBBPHG-UHFFFAOYSA-N	-1	0	292.295	0.610	20	30		CCEDRM
N#C[C@H]1CN(C(=O)[O-])C[C@H]1NCC1(O)CCCCC1	ZINC000833967518	605685544	/nfs/dbraw/zinc/68/55/44/605685544.db2.gz	RHZHGKMHANWOAU-WDEREUQCSA-N	-1	0	267.329	0.773	20	30		CCEDRM
C#CCCNS(=O)(=O)c1ccc(OCC(=O)[O-])c(C)c1	ZINC000871870483	613048151	/nfs/dbraw/zinc/04/81/51/613048151.db2.gz	IBZZNSNKSAYOQJ-UHFFFAOYSA-N	-1	0	297.332	0.760	20	30		CCEDRM
N#C[C@@H]1CSCCN1C(=O)C[C@@H]1CN(C(=O)[O-])CCO1	ZINC000833966239	605975174	/nfs/dbraw/zinc/97/51/74/605975174.db2.gz	ISINJFQWOFVMRX-NXEZZACHSA-N	-1	0	299.352	0.223	20	30		CCEDRM
O=C([O-])N1CC(N=NC2=N[C@@H]3CCCC[C@H]3N2)C1	ZINC000834065210	605992823	/nfs/dbraw/zinc/99/28/23/605992823.db2.gz	DWYPKPXJCZUUTA-RKDXNWHRSA-N	-1	0	251.290	0.196	20	30		CCEDRM
N#CCCCOC(=O)CCOC1CN(C(=O)[O-])C1	ZINC000833966088	606103603	/nfs/dbraw/zinc/10/36/03/606103603.db2.gz	ZIAROLRYMIEJRQ-UHFFFAOYSA-N	-1	0	256.258	0.602	20	30		CCEDRM
C#CCCS(=O)(=O)[N-]C(=O)CCCOCC=C	ZINC000810779597	613052764	/nfs/dbraw/zinc/05/27/64/613052764.db2.gz	UIBGZTAJBBDMDX-UHFFFAOYSA-N	-1	0	259.327	0.439	20	30		CCEDRM
C#CCCS(=O)(=O)[N-]C(=O)[C@@H](C)OCCC(C)C	ZINC000810784066	613052907	/nfs/dbraw/zinc/05/29/07/613052907.db2.gz	QOZAZIVIUQNUAY-LLVKDONJSA-N	-1	0	275.370	0.907	20	30		CCEDRM
C#CCCS(=O)(=O)[N-]C(=O)C[C@H]1CCC(=O)[C@H]1C	ZINC000810784849	613052947	/nfs/dbraw/zinc/05/29/47/613052947.db2.gz	PWEGIIGJHDQUDA-VHSXEESVSA-N	-1	0	271.338	0.461	20	30		CCEDRM
C#CCCS(=O)(=O)[N-]C(=O)CCCCSC	ZINC000810780792	613052699	/nfs/dbraw/zinc/05/26/99/613052699.db2.gz	RERAFHXUTUDQME-UHFFFAOYSA-N	-1	0	263.384	0.989	20	30		CCEDRM
C#CCCS(=O)(=O)[N-]C(=O)CC1(CSC)CC1	ZINC000845543898	613052710	/nfs/dbraw/zinc/05/27/10/613052710.db2.gz	FRIRRGMCAPAXTL-UHFFFAOYSA-N	-1	0	275.395	0.989	20	30		CCEDRM
C#C[C@@H](C)N(C)C(=O)c1ccc([N-]S(C)(=O)=O)nc1	ZINC000861340146	613079387	/nfs/dbraw/zinc/07/93/87/613079387.db2.gz	FGDRTMUTKYSIHP-SECBINFHSA-N	-1	0	281.337	0.547	20	30		CCEDRM
C#CCN(CC#CC)C(=O)NC[C@H](NC(=O)[O-])C1CC1	ZINC000833787717	613099707	/nfs/dbraw/zinc/09/97/07/613099707.db2.gz	YSXFFSQRBYPFGA-LBPRGKRZSA-N	-1	0	277.324	0.701	20	30		CCEDRM
C#C[C@@H]1CCCN(C(=O)[C@H]2C[C@@H](C)[C@H](C(=O)[O-])O2)C1	ZINC000911408535	613105516	/nfs/dbraw/zinc/10/55/16/613105516.db2.gz	CCIOPHKXOQKODA-DDHJBXDOSA-N	-1	0	265.309	0.736	20	30		CCEDRM
C#CC1CCN(C(=O)Cn2ccc(C(=O)[O-])n2)CC1	ZINC000911405996	612963391	/nfs/dbraw/zinc/96/33/91/612963391.db2.gz	HSOFSMGSKWYPPK-UHFFFAOYSA-N	-1	0	261.281	0.453	20	30		CCEDRM
C=CC1(S(=O)(=O)[N-]C(=O)[C@H](CC)OCC)CC1	ZINC000870833900	613451571	/nfs/dbraw/zinc/45/15/71/613451571.db2.gz	ZUWCTZUFKYUNBA-VIFPVBQESA-N	-1	0	261.343	0.966	20	30		CCEDRM
C#CCC(C)(C)C(=O)[N-]S(=O)(=O)c1cnc2n1CCC2	ZINC000810705082	612966083	/nfs/dbraw/zinc/96/60/83/612966083.db2.gz	QKTMPGZODPDPLD-UHFFFAOYSA-N	-1	0	295.364	0.684	20	30		CCEDRM
CC#CCS(=O)(=O)[N-]C(=O)[C@H](C)[C@H](C)COC	ZINC000813094389	613646922	/nfs/dbraw/zinc/64/69/22/613646922.db2.gz	LDPSKJCDGFRHCM-NXEZZACHSA-N	-1	0	261.343	0.374	20	30		CCEDRM
C=CCS(=O)(=O)[N-]C(=O)[C@@H]1C[C@H]1C(F)(F)F	ZINC000835253008	613886175	/nfs/dbraw/zinc/88/61/75/613886175.db2.gz	HESQDCKRRGWONP-PHDIDXHHSA-N	-1	0	257.233	0.817	20	30		CCEDRM
CC(C)(C)[C@@H](C#N)NC(=O)[C@H]1CN(C(=O)[O-])CCO1	ZINC000823754281	614021248	/nfs/dbraw/zinc/02/12/48/614021248.db2.gz	GJNULCYZFWRWLM-RKDXNWHRSA-N	-1	0	269.301	0.420	20	30		CCEDRM
CC(C)CO[C@@H](C)C(=O)[N-]S(=O)(=O)CCC#N	ZINC000835409913	614171851	/nfs/dbraw/zinc/17/18/51/614171851.db2.gz	AFXORJNTUZRNGR-VIFPVBQESA-N	-1	0	262.331	0.407	20	30		CCEDRM
C#CCCCCC(=O)[N-]S(=O)(=O)C1(COC)CC1	ZINC000811153262	612975721	/nfs/dbraw/zinc/97/57/21/612975721.db2.gz	ZLDOQGCYYXVVBR-UHFFFAOYSA-N	-1	0	273.354	0.805	20	30		CCEDRM
C#CCCCCCC(=O)N1CCOC[C@@H]1C(=O)[O-]	ZINC000833361629	612976084	/nfs/dbraw/zinc/97/60/84/612976084.db2.gz	DWYOBAVQMYDVNC-LLVKDONJSA-N	-1	0	253.298	0.882	20	30		CCEDRM
COc1ccc(C(=O)[O-])cc1C=NNC1=NCCN1	ZINC000901252897	617235459	/nfs/dbraw/zinc/23/54/59/617235459.db2.gz	RAZLYYDYBDHCMY-UHFFFAOYSA-N	-1	0	262.269	0.276	20	30		CCEDRM
CSCC[C@H](NC(=O)C#CC(C)C)c1nnn[n-]1	ZINC000912862815	617244545	/nfs/dbraw/zinc/24/45/45/617244545.db2.gz	DFPNUPSMPYMDRF-VIFPVBQESA-N	-1	0	267.358	0.770	20	30		CCEDRM
CS[C@H](C)CC(=O)N1CCN(C(=O)[O-])C[C@H]1C#N	ZINC000833893814	617275298	/nfs/dbraw/zinc/27/52/98/617275298.db2.gz	SPKMKJJWQVSZSC-RKDXNWHRSA-N	-1	0	271.342	0.842	20	30		CCEDRM
COc1ccc([O-])c(C(=O)n2ncc(C#N)c2N)c1	ZINC000124079775	617272190	/nfs/dbraw/zinc/27/21/90/617272190.db2.gz	MZDYCRXRPTZFBY-UHFFFAOYSA-N	-1	0	258.237	0.740	20	30		CCEDRM
C#CC(C)(C)NC(=O)Cc1cc(=O)n(CC(C)C)[n-]1	ZINC000932753066	612945937	/nfs/dbraw/zinc/94/59/37/612945937.db2.gz	CGALOFORDMDRGM-UHFFFAOYSA-N	-1	0	263.341	0.903	20	30		CCEDRM
C#CCC1(O)CCN(S(=O)(=O)c2ccccc2[O-])CC1	ZINC000882771476	612974245	/nfs/dbraw/zinc/97/42/45/612974245.db2.gz	DJMRVAXMNIQTQK-UHFFFAOYSA-N	-1	0	295.360	0.931	20	30		CCEDRM
C#CCCCC(=O)NCC(=O)N[C@@H](CC(C)C)C(=O)[O-]	ZINC000909592476	612974960	/nfs/dbraw/zinc/97/49/60/612974960.db2.gz	DJXMLHWGWFHZRT-NSHDSACASA-N	-1	0	282.340	0.522	20	30		CCEDRM
C#CCCCNC(=O)N1CC[C@@H](OC)C[C@H]1C(=O)[O-]	ZINC000909027446	612981437	/nfs/dbraw/zinc/98/14/37/612981437.db2.gz	JQJUZVBERCOHGM-MNOVXSKESA-N	-1	0	268.313	0.673	20	30		CCEDRM
C#CCOCCNS(=O)(=O)Cc1ccc(C(=O)[O-])cc1	ZINC000833366008	612989728	/nfs/dbraw/zinc/98/97/28/612989728.db2.gz	BGXSCDCDLHQVQF-UHFFFAOYSA-N	-1	0	297.332	0.454	20	30		CCEDRM
C#CCO[N-]C(=O)[C@@]1(C(=O)OC(C)(C)C)CCCO1	ZINC000912450100	612992716	/nfs/dbraw/zinc/99/27/16/612992716.db2.gz	GZDRKUQQZXRXKB-CYBMUJFWSA-N	-1	0	269.297	0.558	20	30		CCEDRM
C#CCO[N-]C(=O)[C@H](CC)Nc1c([N+](=O)[O-])c(C)nn1C	ZINC000812782105	612992956	/nfs/dbraw/zinc/99/29/56/612992956.db2.gz	MIXQBGOZTRHNNO-VIFPVBQESA-N	-1	0	295.299	0.508	20	30		CCEDRM
C#CCO[C@@H](C)C(=O)N1CCC[C@@](COC)(C(=O)[O-])C1	ZINC000909714881	612994547	/nfs/dbraw/zinc/99/45/47/612994547.db2.gz	YLHCBBAMIKRDFW-SMDDNHRTSA-N	-1	0	283.324	0.365	20	30		CCEDRM
C#CCO[C@H](C)C(=O)N1CC[C@@H](C)C[C@@H]1C(=O)[O-]	ZINC000909777571	613000107	/nfs/dbraw/zinc/00/01/07/613000107.db2.gz	HUZFMBXCFDSLGN-GMTAPVOTSA-N	-1	0	253.298	0.736	20	30		CCEDRM
C#CCO[C@H](C)C(=O)N1CC[C@@H](OC)C[C@H]1C(=O)[O-]	ZINC000909984417	613000233	/nfs/dbraw/zinc/00/02/33/613000233.db2.gz	NLVUSVUQUGSDBR-MXWKQRLJSA-N	-1	0	269.297	0.115	20	30		CCEDRM
C#CCO[C@H](C)C(=O)N1C[C@@H](CC)[C@](F)(C(=O)[O-])C1	ZINC000910550437	613000645	/nfs/dbraw/zinc/00/06/45/613000645.db2.gz	XDSQGNRJIAMUAG-BREBYQMCSA-N	-1	0	271.288	0.686	20	30		CCEDRM
C#CCO[C@H](C)C(=O)[N-]S(=O)(=O)CCC(C)C	ZINC000835150252	613002221	/nfs/dbraw/zinc/00/22/21/613002221.db2.gz	OOGRSCJPZXUJLW-SNVBAGLBSA-N	-1	0	261.343	0.517	20	30		CCEDRM
C#CCO[C@H](C)C(=O)N[C@@H](C(=O)[O-])c1ccccn1	ZINC000911482126	613002397	/nfs/dbraw/zinc/00/23/97/613002397.db2.gz	QMTPXHQCAGCNLG-MWLCHTKSSA-N	-1	0	262.265	0.362	20	30		CCEDRM
C#CCO[C@H](C)C(=O)N[C@](C)(COC)CC(=O)[O-]	ZINC000909375115	613003581	/nfs/dbraw/zinc/00/35/81/613003581.db2.gz	VLPSRBHDTLXPBF-SKDRFNHKSA-N	-1	0	257.286	0.021	20	30		CCEDRM
C#CCOc1ccc(C(=O)N=c2nn[n-]n2C2CC2)cc1	ZINC000905842637	613005084	/nfs/dbraw/zinc/00/50/84/613005084.db2.gz	YCLRNZGRCFUNSK-UHFFFAOYSA-N	-1	0	283.291	0.694	20	30		CCEDRM
C#CCOc1ccc(CNC(=O)N2CC(C(=O)[O-])C2)cc1	ZINC000857100741	613006280	/nfs/dbraw/zinc/00/62/80/613006280.db2.gz	KCLYORHPXFSTJG-UHFFFAOYSA-N	-1	0	288.303	0.925	20	30		CCEDRM
C#CCOc1ccc(NC(=O)N[C@H](CO)C(=O)[O-])cc1	ZINC000797743032	613007264	/nfs/dbraw/zinc/00/72/64/613007264.db2.gz	IADBNHRJIDTAAF-LLVKDONJSA-N	-1	0	278.264	0.266	20	30		CCEDRM
COc1cccc2c(C([O-])=C(C#N)C(=O)NC3CC3)cnn21	ZINC000892497230	617311492	/nfs/dbraw/zinc/31/14/92/617311492.db2.gz	YESRAYCEHFFDCQ-SNVBAGLBSA-N	-1	0	298.302	0.944	20	30		CCEDRM
C#CC[C@@H](NC(=O)COCc1cccc(OC)c1)C(=O)[O-]	ZINC000910053593	613040048	/nfs/dbraw/zinc/04/00/48/613040048.db2.gz	VVLJVLOJZVQJMK-CYBMUJFWSA-N	-1	0	291.303	0.805	20	30		CCEDRM
C#CC[C@@H](NC(=O)[C@@H](O)Cc1ccccc1)C(=O)[O-]	ZINC000910051119	613040470	/nfs/dbraw/zinc/04/04/70/613040470.db2.gz	DPIJRHRSKADFCZ-NEPJUHHUSA-N	-1	0	261.277	0.183	20	30		CCEDRM
C#CC[C@@H](NC(=O)Cn1nc(C)c2cccnc21)C(=O)[O-]	ZINC000910048123	613040538	/nfs/dbraw/zinc/04/05/38/613040538.db2.gz	DYZCKANSBVDBCN-LLVKDONJSA-N	-1	0	286.291	0.332	20	30		CCEDRM
C#CC[C@@H](NC(=O)[C@@H](O)Cc1ccccc1Cl)C(=O)[O-]	ZINC000910048105	613040664	/nfs/dbraw/zinc/04/06/64/613040664.db2.gz	DSASXWBMFXSLLS-NEPJUHHUSA-N	-1	0	295.722	0.836	20	30		CCEDRM
C#CC[C@@H](NC(=O)[C@@H]1CSCN1C(=O)CCC)C(=O)[O-]	ZINC000910055117	613040747	/nfs/dbraw/zinc/04/07/47/613040747.db2.gz	XQNKQXUIRGTWPZ-ZJUUUORDSA-N	-1	0	298.364	0.281	20	30		CCEDRM
C#CC[C@@H](NC(=O)c1c2c(nn1C)CCCC2)C(=O)[O-]	ZINC000910047905	613041496	/nfs/dbraw/zinc/04/14/96/613041496.db2.gz	AAVIXYHWPQVTKY-LLVKDONJSA-N	-1	0	275.308	0.505	20	30		CCEDRM
C#CC[C@@H](NC(=O)c1cnc([C@H](C)O)s1)C(=O)[O-]	ZINC000910048762	613042288	/nfs/dbraw/zinc/04/22/88/613042288.db2.gz	OFGUHNCWRQQPOH-NKWVEPMBSA-N	-1	0	268.294	0.403	20	30		CCEDRM
C#CCCNC(=O)N1C[C@@H](CNC(=O)[O-])C[C@H]1C	ZINC000833787169	613047070	/nfs/dbraw/zinc/04/70/70/613047070.db2.gz	IADGEIYDSCTFRK-NXEZZACHSA-N	-1	0	253.302	0.697	20	30		CCEDRM
C#CCCOC(=O)CN(C[C@H]1CCCO1)C(=O)[O-]	ZINC000823451193	613048322	/nfs/dbraw/zinc/04/83/22/613048322.db2.gz	PSTQTDHUJHXBRF-SNVBAGLBSA-N	-1	0	255.270	0.712	20	30		CCEDRM
C#CCCS(=O)(=O)[N-]C(=O)CN1CCc2ccccc21	ZINC000810783839	613052719	/nfs/dbraw/zinc/05/27/19/613052719.db2.gz	HAFINWNSWDJKPH-UHFFFAOYSA-N	-1	0	292.360	0.518	20	30		CCEDRM
C#CCCS(=O)(=O)[N-]C(=O)CCC(F)(F)F	ZINC000810782056	613052727	/nfs/dbraw/zinc/05/27/27/613052727.db2.gz	HCCBREATRGUHKR-UHFFFAOYSA-N	-1	0	257.233	0.798	20	30		CCEDRM
C#CC[C@H](CO)NC(=O)C12CCC(C(=O)[O-])(CC1)C2	ZINC000911394675	613053209	/nfs/dbraw/zinc/05/32/09/613053209.db2.gz	CHNMIPMHEJMUHZ-GWMXKSKGSA-N	-1	0	265.309	0.522	20	30		CCEDRM
C#CCCS(=O)(=O)[N-]C(=O)c1ccc2c(c1)CCOC2	ZINC000851000496	613053592	/nfs/dbraw/zinc/05/35/92/613053592.db2.gz	UUPQBXFUBYVOEF-UHFFFAOYSA-N	-1	0	293.344	0.842	20	30		CCEDRM
C#CCCS(=O)(=O)[N-]C(=O)c1cc(C)cnc1F	ZINC000870332380	613053657	/nfs/dbraw/zinc/05/36/57/613053657.db2.gz	VEGUZRLGKTWZGI-UHFFFAOYSA-N	-1	0	270.285	0.612	20	30		CCEDRM
C#CCCS(=O)(=O)[N-]C(=O)c1cccc(Cl)n1	ZINC000810781111	613053677	/nfs/dbraw/zinc/05/36/77/613053677.db2.gz	FXIQVUOIOGRAGO-UHFFFAOYSA-N	-1	0	272.713	0.818	20	30		CCEDRM
C#CCCS(=O)(=O)[N-]C(=O)c1ccnn1CC(F)F	ZINC000810780768	613053827	/nfs/dbraw/zinc/05/38/27/613053827.db2.gz	QDZADJVPXKTHNF-UHFFFAOYSA-N	-1	0	291.279	0.231	20	30		CCEDRM
C#CCCS(=O)(=O)[N-]C(=O)c1ccnc2ccncc21	ZINC000810780524	613053835	/nfs/dbraw/zinc/05/38/35/613053835.db2.gz	GRMHQFHTNUQDJS-UHFFFAOYSA-N	-1	0	289.316	0.713	20	30		CCEDRM
C#CCCS(=O)(=O)[N-]C(=O)c1oc(CC)nc1C	ZINC000816056075	613053931	/nfs/dbraw/zinc/05/39/31/613053931.db2.gz	CTBPJTBRDDYANM-UHFFFAOYSA-N	-1	0	270.310	0.628	20	30		CCEDRM
C#CC[C@H](CO)NC(=O)c1c([O-])cc(F)cc1F	ZINC000854544917	613057325	/nfs/dbraw/zinc/05/73/25/613057325.db2.gz	YGCGSGSGJVGJMA-MRVPVSSYSA-N	-1	0	255.220	0.784	20	30		CCEDRM
C#CC[C@H](NC(=O)CSCc1cccnc1)C(=O)[O-]	ZINC000910050949	613067796	/nfs/dbraw/zinc/06/77/96/613067796.db2.gz	BFSYLPLBKVOXRT-NSHDSACASA-N	-1	0	278.333	0.908	20	30		CCEDRM
C#CC[C@H](NC(=O)COCc1cccc(OC)c1)C(=O)[O-]	ZINC000910053594	613067958	/nfs/dbraw/zinc/06/79/58/613067958.db2.gz	VVLJVLOJZVQJMK-ZDUSSCGKSA-N	-1	0	291.303	0.805	20	30		CCEDRM
C#CC[C@H](NC(=O)C[C@H]1CCOC[C@@H]1OCC)C(=O)[O-]	ZINC000910048069	613068063	/nfs/dbraw/zinc/06/80/63/613068063.db2.gz	CWWHBSIKBBWUEJ-WOPDTQHZSA-N	-1	0	283.324	0.411	20	30		CCEDRM
C#CC[C@H](NC(=O)Nc1ccnn1CC)C(=O)[O-]	ZINC000900324510	613068564	/nfs/dbraw/zinc/06/85/64/613068564.db2.gz	SLSMEXJNTIFBIL-QMMMGPOBSA-N	-1	0	250.258	0.501	20	30		CCEDRM
C#CC[C@H](NC(=O)Nc1cc(CCC)nn1C)C(=O)[O-]	ZINC000900346069	613068569	/nfs/dbraw/zinc/06/85/69/613068569.db2.gz	BIMBOEFCDCWEPO-JTQLQIEISA-N	-1	0	278.312	0.971	20	30		CCEDRM
C#C[C@@H](CC)NC(=O)N1CCC[C@H](c2n[nH]c(=O)[n-]2)C1	ZINC000922525104	613083338	/nfs/dbraw/zinc/08/33/38/613083338.db2.gz	JIVOHHHOIAQHLJ-UWVGGRQHSA-N	-1	0	277.328	0.811	20	30		CCEDRM
C#C[C@@H](NC(=O)[C@H](C)CC(=O)[O-])C1CCOCC1	ZINC000911793423	613098298	/nfs/dbraw/zinc/09/82/98/613098298.db2.gz	VOYZLNXLVBGGAD-MWLCHTKSSA-N	-1	0	253.298	0.642	20	30		CCEDRM
C#C[C@@H](NC(=O)[C@H](CC)C(=O)[O-])C1CCOCC1	ZINC000911790318	613098382	/nfs/dbraw/zinc/09/83/82/613098382.db2.gz	JINZWTLPCLFZRH-WDEREUQCSA-N	-1	0	253.298	0.642	20	30		CCEDRM
C#C[C@@H](NC(=O)c1ccc(C(=O)[O-])cn1)C1CCOCC1	ZINC000911789738	613099018	/nfs/dbraw/zinc/09/90/18/613099018.db2.gz	HIAHOXGIBWQCKW-GFCCVEGCSA-N	-1	0	288.303	0.938	20	30		CCEDRM
C#CCN(CC(=O)[O-])S(=O)(=O)CC1(CC#N)CC1	ZINC000849218805	613103614	/nfs/dbraw/zinc/10/36/14/613103614.db2.gz	JLIFRBKFWWXZBX-UHFFFAOYSA-N	-1	0	270.310	0.030	20	30		CCEDRM
C#C[C@@H]1CCCN(C(=O)COCc2ocnc2C(=O)[O-])C1	ZINC000911408571	613103595	/nfs/dbraw/zinc/10/35/95/613103595.db2.gz	CVUJTRDQASBUDM-SNVBAGLBSA-N	-1	0	292.291	0.761	20	30		CCEDRM
C#CCN(CC)C(=O)[C@@H]1[C@H](C)OC(C)(C)N1C(=O)[O-]	ZINC000833787605	613106052	/nfs/dbraw/zinc/10/60/52/613106052.db2.gz	VLUOXJSBMCJSRA-UWVGGRQHSA-N	-1	0	268.313	0.972	20	30		CCEDRM
C#CCN(CC)CC(=O)N[C@@H](C(=O)[O-])[C@H](C)CC	ZINC000825614787	613106604	/nfs/dbraw/zinc/10/66/04/613106604.db2.gz	XXBYCDNIMANHOC-ZYHUDNBSSA-N	-1	0	254.330	0.557	20	30		CCEDRM
C#C[C@H](C)N(C)S(=O)(=O)c1c[nH]c(C(=O)[O-])c1	ZINC000871950607	613114483	/nfs/dbraw/zinc/11/44/83/613114483.db2.gz	HRMCQTAAYKUKQK-ZETCQYMHSA-N	-1	0	256.283	0.355	20	30		CCEDRM
COc1ccccc1OCCN(CC#N)CC(=O)[O-]	ZINC000832632603	617317041	/nfs/dbraw/zinc/31/70/41/617317041.db2.gz	KGMBVMQNDRKYHL-UHFFFAOYSA-N	-1	0	264.281	0.984	20	30		CCEDRM
C#C[C@H](NC(=O)CCCC(=O)[O-])C1CCOCC1	ZINC000911794699	613132594	/nfs/dbraw/zinc/13/25/94/613132594.db2.gz	ZYZNSINZOXXVSP-NSHDSACASA-N	-1	0	253.298	0.786	20	30		CCEDRM
C#C[C@H](NC(=O)c1ccc([N-]S(C)(=O)=O)nc1)C(C)C	ZINC000861511494	613148624	/nfs/dbraw/zinc/14/86/24/613148624.db2.gz	GWAQGFKBCVHONT-NSHDSACASA-N	-1	0	295.364	0.841	20	30		CCEDRM
C#C[C@H](NC(=O)c1ccc(C(=O)[O-])c(C)n1)[C@H]1CCCO1	ZINC000911579792	613148728	/nfs/dbraw/zinc/14/87/28/613148728.db2.gz	PUFYHLLUASLCNQ-WCQYABFASA-N	-1	0	288.303	0.999	20	30		CCEDRM
COc1ccccc1C(F)(F)C(=O)N[C@@H](C#N)CO	ZINC000854868482	617313788	/nfs/dbraw/zinc/31/37/88/617313788.db2.gz	OPLBHTFMCMAISE-QMMMGPOBSA-N	-1	0	270.235	0.788	20	30		CCEDRM
C#C[C@H]1COCCN1C(=O)c1cccc(-c2nc(=O)o[n-]2)c1	ZINC000854917421	613162246	/nfs/dbraw/zinc/16/22/46/613162246.db2.gz	OSAJUKRMUVTAFS-LBPRGKRZSA-N	-1	0	299.286	0.504	20	30		CCEDRM
C#Cc1ccc(C(=O)N2CC[C@](F)(C(=O)[O-])C2)nc1	ZINC000825636079	613174919	/nfs/dbraw/zinc/17/49/19/613174919.db2.gz	BFZUNIKJQNGXGB-CYBMUJFWSA-N	-1	0	262.240	0.702	20	30		CCEDRM
C#Cc1ccc(C(=O)NC2(CC(=O)[O-])CCOCC2)nc1	ZINC000825636281	613177177	/nfs/dbraw/zinc/17/71/77/613177177.db2.gz	GUBGMBLXXGVJQN-UHFFFAOYSA-N	-1	0	288.303	0.817	20	30		CCEDRM
C#Cc1ccc(C(=O)N[C@H](CC(F)F)C(=O)[O-])nc1	ZINC000833368069	613188256	/nfs/dbraw/zinc/18/82/56/613188256.db2.gz	FDWSFFGSNIODOW-SECBINFHSA-N	-1	0	268.219	0.901	20	30		CCEDRM
C#Cc1ccc(C(=O)N[C@]2(C(=O)[O-])CCOC2)cc1	ZINC000909378891	613192813	/nfs/dbraw/zinc/19/28/13/613192813.db2.gz	QFXAGRCUFBPAQO-CQSZACIVSA-N	-1	0	259.261	0.641	20	30		CCEDRM
C#CCN1CCC[C@H]1C(=O)N[C@@H](CC(=O)[O-])C1CC1	ZINC000825619387	613200897	/nfs/dbraw/zinc/20/08/97/613200897.db2.gz	LSQUPSXFIAEOHG-RYUDHWBXSA-N	-1	0	264.325	0.454	20	30		CCEDRM
C#CCN1CCC[C@H]1C(=O)N[C@@H]1CCC[C@@]1(C)C(=O)[O-]	ZINC000909998525	613201390	/nfs/dbraw/zinc/20/13/90/613201390.db2.gz	GIZKPDBWFISNMS-YWPYICTPSA-N	-1	0	278.352	0.844	20	30		CCEDRM
C#Cc1cccc(NC(=O)C(=O)N[C@H](CC)C(=O)[O-])c1	ZINC000817675243	613203164	/nfs/dbraw/zinc/20/31/64/613203164.db2.gz	FYHGAXYPRSYPEK-LLVKDONJSA-N	-1	0	274.276	0.586	20	30		CCEDRM
C#CCN1CCN(C(=O)/C=C/c2ccc(C(=O)[O-])o2)CC1	ZINC000911149975	613204427	/nfs/dbraw/zinc/20/44/27/613204427.db2.gz	BXSBRQWEVFDQKB-GQCTYLIASA-N	-1	0	288.303	0.768	20	30		CCEDRM
C=C(C)C(C)(C)C(=O)[N-]S(=O)(=O)c1cc[nH]n1	ZINC000820747161	613244719	/nfs/dbraw/zinc/24/47/19/613244719.db2.gz	DMDHFOQHOHZJNG-UHFFFAOYSA-N	-1	0	257.315	0.817	20	30		CCEDRM
C=C(C)CCNC(=O)N(CCN1CCOCC1)CC(=O)[O-]	ZINC000909030452	613281681	/nfs/dbraw/zinc/28/16/81/613281681.db2.gz	KDOKMEKOXXYVPZ-UHFFFAOYSA-N	-1	0	299.371	0.381	20	30		CCEDRM
C#CCn1[n-]c2c(c1=O)CN(Cc1ccccc1)C2=O	ZINC000871961481	613322634	/nfs/dbraw/zinc/32/26/34/613322634.db2.gz	QMAUQPMWUMBIOJ-GFCCVEGCSA-N	-1	0	267.288	0.476	20	30		CCEDRM
C=C(C)CO[N-]C(=O)C(=O)Nc1cc(C)nc(C)n1	ZINC000873935083	613352401	/nfs/dbraw/zinc/35/24/01/613352401.db2.gz	ZHRXLXSYSKXZKD-UHFFFAOYSA-N	-1	0	264.285	0.656	20	30		CCEDRM
C=C(C)CO[N-]C(=O)[C@H](C)S(=O)(=O)C1CCOCC1	ZINC000846536431	613353796	/nfs/dbraw/zinc/35/37/96/613353796.db2.gz	LCMJAVJWQZYJGO-JTQLQIEISA-N	-1	0	291.369	0.593	20	30		CCEDRM
C=C(C)CS(=O)(=O)N(CC(=O)[O-])Cc1ccncc1	ZINC000871998039	613354062	/nfs/dbraw/zinc/35/40/62/613354062.db2.gz	MBHBBJWJLCAPTQ-UHFFFAOYSA-N	-1	0	284.337	0.874	20	30		CCEDRM
C=C(C)CS(=O)(=O)N1C[C@@H](OC)C[C@H]1C(=O)[O-]	ZINC000926591156	613354107	/nfs/dbraw/zinc/35/41/07/613354107.db2.gz	IRSJJPFTALKHEF-IUCAKERBSA-N	-1	0	263.315	0.066	20	30		CCEDRM
C=C(C)CS(=O)(=O)N[C@@H]1CCO[C@](C)(C(=O)[O-])C1	ZINC000906009274	613354262	/nfs/dbraw/zinc/35/42/62/613354262.db2.gz	LHHCEIVRQXDXSW-KOLCDFICSA-N	-1	0	277.342	0.504	20	30		CCEDRM
C=C(C)C[C@H](NC(=O)Nc1cnn(C)c1)C(=O)[O-]	ZINC000908648282	613358758	/nfs/dbraw/zinc/35/87/58/613358758.db2.gz	AAERGGLNKMKFHZ-VIFPVBQESA-N	-1	0	252.274	0.961	20	30		CCEDRM
C=C(C)[C@@H](CC(=O)NC[C@](C)(O)C(=O)[O-])OCC	ZINC000911474750	613360190	/nfs/dbraw/zinc/36/01/90/613360190.db2.gz	YSPZDGSZQDJSHS-SKDRFNHKSA-N	-1	0	259.302	0.310	20	30		CCEDRM
C=C(C)[C@@H]1OCC[C@@H]1C(=O)Nc1cnn(CC(=O)[O-])c1	ZINC000901695621	613361846	/nfs/dbraw/zinc/36/18/46/613361846.db2.gz	KMWVIOBRUVHKHR-JQWIXIFHSA-N	-1	0	279.296	0.887	20	30		CCEDRM
C=C(Cl)C[C@@H](NC(=O)Cc1cc(C)[nH]n1)C(=O)[O-]	ZINC000910266175	613388473	/nfs/dbraw/zinc/38/84/73/613388473.db2.gz	KZOWZWSCMORZOD-SECBINFHSA-N	-1	0	271.704	0.973	20	30		CCEDRM
C=C(Cl)C[C@@H](NS(=O)(=O)c1cn(C)cn1)C(=O)[O-]	ZINC000863421841	613388798	/nfs/dbraw/zinc/38/87/98/613388798.db2.gz	WWTDFJGHOCSYAR-SSDOTTSWSA-N	-1	0	293.732	0.294	20	30		CCEDRM
C=C(Cl)C[C@H](N)C(=O)[N-]S(=O)(=O)[C@@H]1CCCOC1	ZINC000901040341	613390173	/nfs/dbraw/zinc/39/01/73/613390173.db2.gz	LEZNZJLJZYYVMQ-BDAKNGLRSA-N	-1	0	296.776	0.081	20	30		CCEDRM
C=CCS(=O)(=O)[N-]C(=O)c1nc2c(s1)CCC2	ZINC000842326940	613394667	/nfs/dbraw/zinc/39/46/67/613394667.db2.gz	HSEQGLKNKKNXNX-UHFFFAOYSA-N	-1	0	272.351	0.877	20	30		CCEDRM
C=CC[C@@H](CO)CNS(=O)(=O)c1ccccc1C(=O)[O-]	ZINC000833371488	613403161	/nfs/dbraw/zinc/40/31/61/613403161.db2.gz	SZNZTQKQOQTCJE-SNVBAGLBSA-N	-1	0	299.348	0.848	20	30		CCEDRM
C=CCn1cc(C(=O)[N-]S(=O)(=O)CC(C)C)nn1	ZINC000842704200	613429278	/nfs/dbraw/zinc/42/92/78/613429278.db2.gz	MGPWYTRYYVXFAH-UHFFFAOYSA-N	-1	0	272.330	0.180	20	30		CCEDRM
C=CC(C)(C)C(=O)N1CC(n2cc(C(=O)[O-])nn2)C1	ZINC000909508295	613429472	/nfs/dbraw/zinc/42/94/72/613429472.db2.gz	SEPVUJQHBWPPED-UHFFFAOYSA-N	-1	0	264.285	0.572	20	30		CCEDRM
C=C[C@@H](C)O[N-]C(=O)C(=O)Nc1ccnn1CC1CC1	ZINC000846152537	613443148	/nfs/dbraw/zinc/44/31/48/613443148.db2.gz	BPNLYSNCGOULOW-SECBINFHSA-N	-1	0	278.312	0.854	20	30		CCEDRM
C=C[C@@H](C)O[N-]C(=O)C(=O)Nc1cnc(CC2CC2)nc1	ZINC000846155942	613443269	/nfs/dbraw/zinc/44/32/69/613443269.db2.gz	JEUBMDAXEWADFE-SECBINFHSA-N	-1	0	290.323	0.990	20	30		CCEDRM
C=C[C@@H](C)O[N-]C(=O)CN1C(=O)NC2(CCCCC2)C1=O	ZINC000846543975	613443687	/nfs/dbraw/zinc/44/36/87/613443687.db2.gz	TWJPREKUVGMOLK-SNVBAGLBSA-N	-1	0	295.339	0.863	20	30		CCEDRM
C=CC(C)(C)CC(=O)[N-]S(=O)(=O)Cc1cnn(C)c1	ZINC000893119836	613446090	/nfs/dbraw/zinc/44/60/90/613446090.db2.gz	CYPXOPBQJCIAGB-UHFFFAOYSA-N	-1	0	285.369	0.968	20	30		CCEDRM
C=C[C@@H](C)O[N-]C(=O)[C@@](C)(O)Cn1ccc(C)cc1=O	ZINC000846555700	613447139	/nfs/dbraw/zinc/44/71/39/613447139.db2.gz	UTUSIAPIEIXDKH-RISCZKNCSA-N	-1	0	280.324	0.530	20	30		CCEDRM
C=C[C@@H](C)O[N-]C(=O)[C@@H]1CC[C@H](CN2CCOCC2)O1	ZINC000824033188	613447265	/nfs/dbraw/zinc/44/72/65/613447265.db2.gz	DZHQAUBUFSIHOB-UPJWGTAASA-N	-1	0	284.356	0.489	20	30		CCEDRM
C=C[C@@H](O)C(=O)N(CCC(=O)[O-])C1CCOCC1	ZINC000909028954	613449551	/nfs/dbraw/zinc/44/95/51/613449551.db2.gz	ZDQCWLHBMHOZHY-SNVBAGLBSA-N	-1	0	257.286	0.016	20	30		CCEDRM
C=CC1(S(=O)(=O)[N-]C(=O)/C=C\c2ccncn2)CC1	ZINC000870835565	613449946	/nfs/dbraw/zinc/44/99/46/613449946.db2.gz	FBLOEYJYJSZKCE-ARJAWSKDSA-N	-1	0	279.321	0.654	20	30		CCEDRM
C=CC1(S(=O)(=O)[N-]C(=O)C2(C)CCOCC2)CC1	ZINC000870833121	613450456	/nfs/dbraw/zinc/45/04/56/613450456.db2.gz	WUXCQZAAAROTAO-UHFFFAOYSA-N	-1	0	273.354	0.968	20	30		CCEDRM
C=CC1(S(=O)(=O)[N-]C(=O)Cc2ccoc2)CC1	ZINC000870835868	613450831	/nfs/dbraw/zinc/45/08/31/613450831.db2.gz	LUWGXEIRSDDXGG-UHFFFAOYSA-N	-1	0	255.295	0.987	20	30		CCEDRM
C=CC1(S(=O)(=O)[N-]C(=O)[C@@H]2C[C@]23CCOC3)CC1	ZINC000870835552	613451329	/nfs/dbraw/zinc/45/13/29/613451329.db2.gz	FAIAKYKPHZQXIE-ONGXEEELSA-N	-1	0	271.338	0.578	20	30		CCEDRM
C=C[C@@H](O)C(=O)N1C[C@@H]2CCCC[C@]2(C(=O)[O-])C1	ZINC000910156631	613451339	/nfs/dbraw/zinc/45/13/39/613451339.db2.gz	VDRUQVORYXCMKS-CWSCBRNRSA-N	-1	0	253.298	0.637	20	30		CCEDRM
C=CC1(S(=O)(=O)[N-]C(=O)[C@@]2(C)CCCO2)CC1	ZINC000870833302	613451649	/nfs/dbraw/zinc/45/16/49/613451649.db2.gz	AGRBWTWWFFSZDR-SNVBAGLBSA-N	-1	0	259.327	0.720	20	30		CCEDRM
C=C[C@@H](O)C(=O)NC[C@@H](C(=O)[O-])C1CCCCC1	ZINC000910234494	613451654	/nfs/dbraw/zinc/45/16/54/613451654.db2.gz	SRCSUCJGPZOYNF-GHMZBOCLSA-N	-1	0	255.314	0.931	20	30		CCEDRM
C=CC1(S(=O)(=O)[N-]C(=O)c2ccnc(C#N)c2)CC1	ZINC000870836995	613451995	/nfs/dbraw/zinc/45/19/95/613451995.db2.gz	ULYCNBXCNBKIQK-UHFFFAOYSA-N	-1	0	277.305	0.731	20	30		CCEDRM
C=CC1(S(=O)(=O)[N-]C(=O)c2nn(CC)nc2C)CC1	ZINC000870837788	613452225	/nfs/dbraw/zinc/45/22/25/613452225.db2.gz	BKWLKAUJRJXQJQ-UHFFFAOYSA-N	-1	0	284.341	0.385	20	30		CCEDRM
C=CC1(S(=O)(=O)[N-]C(=O)c2cnn(C3CC3)c2)CC1	ZINC000870839545	613452251	/nfs/dbraw/zinc/45/22/51/613452251.db2.gz	NCWLADZFTKAEMS-UHFFFAOYSA-N	-1	0	281.337	0.996	20	30		CCEDRM
C=CCC(C)(C)C(=O)[N-]S(=O)(=O)c1cnc(OC)nc1	ZINC000893773261	613453089	/nfs/dbraw/zinc/45/30/89/613453089.db2.gz	LVSRCRYIGJIJSZ-UHFFFAOYSA-N	-1	0	299.352	0.892	20	30		CCEDRM
C=CCC1(S(=O)(=O)[N-]C(=O)CCn2ccnn2)CC1	ZINC000810988100	613460837	/nfs/dbraw/zinc/46/08/37/613460837.db2.gz	CDTSONGQEGMYKA-UHFFFAOYSA-N	-1	0	284.341	0.223	20	30		CCEDRM
C=CCCC(=O)N1CC[C@H](C(=O)OC)C[C@@H]1C(=O)[O-]	ZINC000833373326	613462378	/nfs/dbraw/zinc/46/23/78/613462378.db2.gz	LEKVOCVWKDCVAA-VHSXEESVSA-N	-1	0	269.297	0.817	20	30		CCEDRM
C=C[C@@H]1OCC[C@H]1CNC(=O)N(CC)CC(=O)[O-]	ZINC000909239349	613468948	/nfs/dbraw/zinc/46/89/48/613468948.db2.gz	VHZZUBOAXILZPR-UWVGGRQHSA-N	-1	0	256.302	0.694	20	30		CCEDRM
C=C[C@@H]1OCC[C@H]1CNC(=O)N[C@H](CCF)C(=O)[O-]	ZINC000909237662	613469793	/nfs/dbraw/zinc/46/97/93/613469793.db2.gz	IRLBUMRKLRQHSU-AEJSXWLSSA-N	-1	0	274.292	0.690	20	30		CCEDRM
C=CCCCS(=O)(=O)N[C@H](C[C@H]1CCCO1)C(=O)[O-]	ZINC000903030638	613469814	/nfs/dbraw/zinc/46/98/14/613469814.db2.gz	SLGKGIHCBYMTBE-GHMZBOCLSA-N	-1	0	291.369	0.894	20	30		CCEDRM
C=CCCC[C@@H](NC(=O)C1(C(=O)NC)CCC1)C(=O)[O-]	ZINC000910915288	613470085	/nfs/dbraw/zinc/47/00/85/613470085.db2.gz	XCJAILGOODNOJV-SNVBAGLBSA-N	-1	0	282.340	0.828	20	30		CCEDRM
C=CCCC[C@@H](NC(=O)CCc1cn(C)nn1)C(=O)[O-]	ZINC000910921785	613470689	/nfs/dbraw/zinc/47/06/89/613470689.db2.gz	FZUFVDFKFUOUDX-LLVKDONJSA-N	-1	0	280.328	0.673	20	30		CCEDRM
C=CCCC[C@@H](NS(=O)(=O)C[C@@H]1CCCO1)C(=O)[O-]	ZINC000903059132	613471434	/nfs/dbraw/zinc/47/14/34/613471434.db2.gz	NGXHVIKUCAHFST-WDEREUQCSA-N	-1	0	291.369	0.894	20	30		CCEDRM
C=CCCC[C@H](NC(=O)C1(CO)CCOCC1)C(=O)[O-]	ZINC000910916868	613472828	/nfs/dbraw/zinc/47/28/28/613472828.db2.gz	KCBSHUBEZQPHSB-NSHDSACASA-N	-1	0	285.340	0.701	20	30		CCEDRM
C=C[C@@](C)(CCOC)C(=O)N[C@H]1CCCN(O)C1=O	ZINC000848134192	613476957	/nfs/dbraw/zinc/47/69/57/613476957.db2.gz	PFSBWDMKQYNSJV-GWCFXTLKSA-N	-1	0	270.329	0.712	20	30		CCEDRM
C=C[C@@](C)(O)C(=O)N[C@@H](C)c1ncc(C(=O)[O-])s1	ZINC000910153773	613478881	/nfs/dbraw/zinc/47/88/81/613478881.db2.gz	VFTDSXHKGUTDCA-UPONEAKYSA-N	-1	0	270.310	0.956	20	30		CCEDRM
C=C[C@@](C)(O)CC(=O)N1CCSC[C@H]1c1nnn[n-]1	ZINC000907479108	613479938	/nfs/dbraw/zinc/47/99/38/613479938.db2.gz	JJRGBSAUUQHSTN-GZMMTYOYSA-N	-1	0	283.357	0.143	20	30		CCEDRM
C=C[C@H](C)O[N-]C(=O)CN1CCN(C2CC2)C1=O	ZINC000855027029	613484215	/nfs/dbraw/zinc/48/42/15/613484215.db2.gz	WMCQMLXRQINVAC-VIFPVBQESA-N	-1	0	253.302	0.509	20	30		CCEDRM
C=C[C@H](C)O[N-]C(=O)CS(=O)(=O)C1CCCC1	ZINC000846550272	613484233	/nfs/dbraw/zinc/48/42/33/613484233.db2.gz	NOFLAVPTPVRMHA-VIFPVBQESA-N	-1	0	261.343	0.966	20	30		CCEDRM
C=C[C@H](O)C(=O)N1CCc2ccccc2[C@H]1C(=O)[O-]	ZINC000909031981	613494982	/nfs/dbraw/zinc/49/49/82/613494982.db2.gz	HEHOGCCYLNZWBB-RYUDHWBXSA-N	-1	0	261.277	0.744	20	30		CCEDRM
C=C[C@H](O)C(=O)N1CC[C@H](C(=O)[O-])C[C@@H]1[C@H]1CCCO1	ZINC000923158633	613495005	/nfs/dbraw/zinc/49/50/05/613495005.db2.gz	LFLLFHVLYHLTKX-WHOHXGKFSA-N	-1	0	283.324	0.404	20	30		CCEDRM
C=C[C@H](O)C(=O)N[C@H](C)c1ccc(OCC(=O)[O-])cc1	ZINC000909788203	613497446	/nfs/dbraw/zinc/49/74/46/613497446.db2.gz	GNCNUFMHFPNFHE-SKDRFNHKSA-N	-1	0	279.292	0.874	20	30		CCEDRM
C=C[C@](C)(CC)C(=O)N[C@H](C)C(=O)N[C@H](C)C(=O)[O-]	ZINC000910747735	613505532	/nfs/dbraw/zinc/50/55/32/613505532.db2.gz	RCYZRFPXVBUXNV-JRKPZEMJSA-N	-1	0	270.329	0.683	20	30		CCEDRM
C=C[C@](C)(CCOC)C(=O)N[C@@H](COC)C(=O)[O-]	ZINC000909658593	613506164	/nfs/dbraw/zinc/50/61/64/613506164.db2.gz	GFHCJYCTRSVKNW-JOYOIKCWSA-N	-1	0	259.302	0.431	20	30		CCEDRM
C=C[C@](C)(O)C(=O)NCc1ccc(C(=O)[O-])nc1	ZINC000910981325	613507587	/nfs/dbraw/zinc/50/75/87/613507587.db2.gz	ODZFEZGBXXAOME-LBPRGKRZSA-N	-1	0	250.254	0.333	20	30		CCEDRM
CC#CCCNC(=O)N[C@H](C[C@H]1CCCOC1)C(=O)[O-]	ZINC000909030370	613522831	/nfs/dbraw/zinc/52/28/31/613522831.db2.gz	IQCWHYOEJYCDEB-VXGBXAGGSA-N	-1	0	282.340	0.969	20	30		CCEDRM
C=CCCN1c2c(cnn2C)C([O-])=CS1(=O)=O	ZINC000902834210	613568260	/nfs/dbraw/zinc/56/82/60/613568260.db2.gz	MQVFGWPZZPVLSK-UHFFFAOYSA-N	-1	0	255.299	0.329	20	30		CCEDRM
C=CCCNC(=O)N1CCC[C@@H](c2n[nH]c(=O)[n-]2)C1	ZINC000923222644	613568820	/nfs/dbraw/zinc/56/88/20/613568820.db2.gz	NLHURMXZBOZFHE-SECBINFHSA-N	-1	0	265.317	0.975	20	30		CCEDRM
C=CCCOCC(=O)N1CC[C@H](C(=O)OC)C[C@H]1C(=O)[O-]	ZINC000833373877	613571734	/nfs/dbraw/zinc/57/17/34/613571734.db2.gz	HLEQGOUFGPDGAT-QWRGUYRKSA-N	-1	0	299.323	0.444	20	30		CCEDRM
C=CCCOCC(=O)N1CC[C@](COC)(C(=O)[O-])C1	ZINC000902311837	613572237	/nfs/dbraw/zinc/57/22/37/613572237.db2.gz	SPFMXVMBXRBHOM-ZDUSSCGKSA-N	-1	0	271.313	0.529	20	30		CCEDRM
C=CCCOCC(=O)[N-]S(=O)(=O)[C@@H]1COC(C)(C)C1	ZINC000861142620	613572738	/nfs/dbraw/zinc/57/27/38/613572738.db2.gz	BBFXPMQXPXTRKY-JTQLQIEISA-N	-1	0	291.369	0.593	20	30		CCEDRM
C=CCCO[C@@H](C)C(=O)N1CCC[C@H]1C(=O)NCC(=O)[O-]	ZINC000910762334	613577710	/nfs/dbraw/zinc/57/77/10/613577710.db2.gz	RVBGMURCWKRFHR-QWRGUYRKSA-N	-1	0	298.339	0.159	20	30		CCEDRM
C=CCCO[C@H](C)C(=O)[N-]S(=O)(=O)C1(COC)CC1	ZINC000811159109	613579507	/nfs/dbraw/zinc/57/95/07/613579507.db2.gz	GJHWLFKOMOQJQS-SNVBAGLBSA-N	-1	0	291.369	0.593	20	30		CCEDRM
C=CCCS(=O)(=O)N1CCC[C@@H](NC(=O)[O-])C1	ZINC000823500959	613580766	/nfs/dbraw/zinc/58/07/66/613580766.db2.gz	NZIYKFHRWFGYBE-SECBINFHSA-N	-1	0	262.331	0.624	20	30		CCEDRM
C=CCCS(=O)(=O)NCC[C@H]1CCN(C(=O)[O-])C1	ZINC000823501368	613581236	/nfs/dbraw/zinc/58/12/36/613581236.db2.gz	VXDXWLYEHXVTPR-JTQLQIEISA-N	-1	0	276.358	0.872	20	30		CCEDRM
C=CCC[C@H](NC(=O)Cc1cn(C)nc1C)C(=O)[O-]	ZINC000909713435	613589458	/nfs/dbraw/zinc/58/94/58/613589458.db2.gz	PZQSXMBJXINGFS-NSHDSACASA-N	-1	0	265.313	0.807	20	30		CCEDRM
C=CCC[C@H](NC(=O)Cn1nnc2c1CCCC2)C(=O)[O-]	ZINC000909713068	613590078	/nfs/dbraw/zinc/59/00/78/613590078.db2.gz	DSKOZRFBZSQZGW-NSHDSACASA-N	-1	0	292.339	0.693	20	30		CCEDRM
C=CCC[C@H](NC(=O)N[C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@H]12)C(=O)[O-]	ZINC000900297695	613590110	/nfs/dbraw/zinc/59/01/10/613590110.db2.gz	MEKUHWDECOFXKF-QUHKTUSISA-N	-1	0	280.324	0.881	20	30		CCEDRM
C=CCCn1cc(C(=O)[N-]S(=O)(=O)[C@H](C)CC)nn1	ZINC000820601882	613594875	/nfs/dbraw/zinc/59/48/75/613594875.db2.gz	ZNCDKAHPFBWRTN-SECBINFHSA-N	-1	0	286.357	0.712	20	30		CCEDRM
C=CCCn1cc(C([O-])=C(C#N)C(=O)N2CCCC2)nn1	ZINC000819943703	613598073	/nfs/dbraw/zinc/59/80/73/613598073.db2.gz	LHMDOYFFYWZLRL-LLVKDONJSA-N	-1	0	287.323	0.799	20	30		CCEDRM
C=CCN(C(=O)CCCn1c(=O)[n-][nH]c1=O)C(C)C	ZINC000906567965	613604865	/nfs/dbraw/zinc/60/48/65/613604865.db2.gz	PJSDWRAENGYKLV-UHFFFAOYSA-N	-1	0	268.317	0.893	20	30		CCEDRM
C=CCN(C)C(=O)C(=O)N1CCC[C@@](CC)(C(=O)[O-])C1	ZINC000926299113	613607831	/nfs/dbraw/zinc/60/78/31/613607831.db2.gz	PLJRTEKFKVMQDV-CQSZACIVSA-N	-1	0	282.340	0.734	20	30		CCEDRM
C=CCN(CC(=O)[O-])C(=O)Cn1cc(Cl)cn1	ZINC000909514979	613642599	/nfs/dbraw/zinc/64/25/99/613642599.db2.gz	NSEHYLNZLLZJBA-UHFFFAOYSA-N	-1	0	257.677	0.636	20	30		CCEDRM
C=CCN(CC(=O)[O-])C(=O)NCc1cccnc1N(C)C	ZINC000908809109	613642691	/nfs/dbraw/zinc/64/26/91/613642691.db2.gz	JOASCBNKCGLJPA-UHFFFAOYSA-N	-1	0	292.339	0.930	20	30		CCEDRM
C=CCN(CC(=O)[O-])C(=O)NCCc1cnc(C)cn1	ZINC000909065461	613642732	/nfs/dbraw/zinc/64/27/32/613642732.db2.gz	AWYFXBUHOIOMNR-UHFFFAOYSA-N	-1	0	278.312	0.610	20	30		CCEDRM
C=CCN(CC(=O)[O-])C(=O)[C@H](C)Cc1cnn(C)c1	ZINC000909515532	613643182	/nfs/dbraw/zinc/64/31/82/613643182.db2.gz	WYMXJFKBPNQQHS-SNVBAGLBSA-N	-1	0	265.313	0.698	20	30		CCEDRM
C=CCN(CC(=O)[O-])C(=O)[C@@H](OC)c1cnn(C)c1	ZINC000909516655	613643261	/nfs/dbraw/zinc/64/32/61/613643261.db2.gz	LZUZNGGQEMIOIB-NSHDSACASA-N	-1	0	267.285	0.207	20	30		CCEDRM
CC#CCNC(=O)N[C@H]1CCN(c2cc(=O)[nH]cn2)C1	ZINC000895682288	613644476	/nfs/dbraw/zinc/64/44/76/613644476.db2.gz	ZNUPUQHPEWGWAO-JTQLQIEISA-N	-1	0	275.312	0.083	20	30		CCEDRM
CC#CCS(=O)(=O)[N-]C(=O)C[C@@H]1CCCCO1	ZINC000810773723	613646150	/nfs/dbraw/zinc/64/61/50/613646150.db2.gz	MNLMDSKSTZOPEZ-JTQLQIEISA-N	-1	0	259.327	0.415	20	30		CCEDRM
CC#CCS(=O)(=O)[N-]C(=O)Cn1ccc(C(F)F)n1	ZINC000860722176	613646152	/nfs/dbraw/zinc/64/61/52/613646152.db2.gz	STUPGDCYYLAOCU-UHFFFAOYSA-N	-1	0	291.279	0.290	20	30		CCEDRM
CC#CCS(=O)(=O)[N-]C(=O)[C@@H]1CC(=O)c2ccccc21	ZINC000810772775	613646574	/nfs/dbraw/zinc/64/65/74/613646574.db2.gz	FDPLWIJVLGQGHE-GFCCVEGCSA-N	-1	0	291.328	0.826	20	30		CCEDRM
CC#CCS(=O)(=O)[N-]C(=O)[C@@H]1CCC[C@H](OC)C1	ZINC000816056480	613646733	/nfs/dbraw/zinc/64/67/33/613646733.db2.gz	UQQFCTCXOAYCGP-MNOVXSKESA-N	-1	0	273.354	0.661	20	30		CCEDRM
CC#CCS(=O)(=O)[N-]C(=O)[C@H]1CCCSC1	ZINC000810776570	613647226	/nfs/dbraw/zinc/64/72/26/613647226.db2.gz	YTKOEYQNAZMWIB-VIFPVBQESA-N	-1	0	261.368	0.599	20	30		CCEDRM
CC#CCS(=O)(=O)[N-]C(=O)c1ccc([N+](=O)[O-])n1C	ZINC000810772710	613647372	/nfs/dbraw/zinc/64/73/72/613647372.db2.gz	BGYGQTXIIHFNPG-UHFFFAOYSA-N	-1	0	285.281	0.016	20	30		CCEDRM
CC#CCS(=O)(=O)[N-]C(=O)c1cc(C)oc1C	ZINC000798203391	613647557	/nfs/dbraw/zinc/64/75/57/613647557.db2.gz	YOLCOCPVZCUBLK-UHFFFAOYSA-N	-1	0	255.295	0.979	20	30		CCEDRM
C=CCN(CC=C)C(=O)COC(=O)c1cc(C(=O)[O-])no1	ZINC000833375365	613647690	/nfs/dbraw/zinc/64/76/90/613647690.db2.gz	TUOKRLMLLSUJBF-UHFFFAOYSA-N	-1	0	294.263	0.730	20	30		CCEDRM
CC#CCS(=O)(=O)[N-]C(=O)c1cccc(C)n1	ZINC000810774029	613647832	/nfs/dbraw/zinc/64/78/32/613647832.db2.gz	MCLGQIOADAUOSK-UHFFFAOYSA-N	-1	0	252.295	0.473	20	30		CCEDRM
CC#CCS(=O)(=O)[N-]C(=O)c1cnn(CCCOC)c1	ZINC000860721211	613647999	/nfs/dbraw/zinc/64/79/99/613647999.db2.gz	AMJYSBJASIXGNP-UHFFFAOYSA-N	-1	0	299.352	0.003	20	30		CCEDRM
CC#CCS(=O)(=O)[N-]C(=O)c1cncc(OC)c1C	ZINC000870330194	613648070	/nfs/dbraw/zinc/64/80/70/613648070.db2.gz	RFTYIHUIYUPGSA-UHFFFAOYSA-N	-1	0	282.321	0.482	20	30		CCEDRM
C=CCN(CC=C)C(=O)[C@@H](C)N1CCO[C@@H](CC(=O)[O-])C1	ZINC000825682425	613648081	/nfs/dbraw/zinc/64/80/81/613648081.db2.gz	ZSSNUQYPSWOEFN-OLZOCXBDSA-N	-1	0	296.367	0.751	20	30		CCEDRM
CC#CC[C@@H](CO)NC(=O)Cc1cc(=O)n(CC(C)C)[n-]1	ZINC000823729046	613648299	/nfs/dbraw/zinc/64/82/99/613648299.db2.gz	YTMKZNAKEJAUGW-LBPRGKRZSA-N	-1	0	293.367	0.265	20	30		CCEDRM
CC(=NNCCS(C)(=O)=O)c1csc(C(=O)[O-])c1	ZINC000814849168	613655622	/nfs/dbraw/zinc/65/56/22/613655622.db2.gz	KOLLGEWQOKJDDV-UHFFFAOYSA-N	-1	0	290.366	0.805	20	30		CCEDRM
CC(=NOCC(N)=O)c1cccc(O[C@@H](C)C(=O)[O-])c1	ZINC000814893185	613657499	/nfs/dbraw/zinc/65/74/99/613657499.db2.gz	GYPDRTODQUEQEB-VIFPVBQESA-N	-1	0	280.280	0.764	20	30		CCEDRM
CC(=O)NCC1CCN(C(=O)[C@@](C)(C#N)CC(=O)[O-])CC1	ZINC000819737111	613719238	/nfs/dbraw/zinc/71/92/38/613719238.db2.gz	HCAAVDXCFIXSMH-CQSZACIVSA-N	-1	0	295.339	0.366	20	30		CCEDRM
C=CCNC(=O)COC(=O)[C@H]1CCC[C@H](NC(=O)[O-])C1	ZINC000823507124	613848257	/nfs/dbraw/zinc/84/82/57/613848257.db2.gz	SQCALTIZWYNQEW-UWVGGRQHSA-N	-1	0	284.312	0.658	20	30		CCEDRM
C=CCNC(=O)COC(=O)[C@]1(C)CCN(C(=O)[O-])C1	ZINC000823506297	613848291	/nfs/dbraw/zinc/84/82/91/613848291.db2.gz	FZKJFHSBZBCFBG-GFCCVEGCSA-N	-1	0	270.285	0.222	20	30		CCEDRM
C=CCNC(=O)NC(=O)CN1CCC[C@H]1CN(C)C(=O)[O-]	ZINC000823511584	613849788	/nfs/dbraw/zinc/84/97/88/613849788.db2.gz	ZCRREOHWIHMBOB-JTQLQIEISA-N	-1	0	298.343	0.072	20	30		CCEDRM
C=CCNC(=O)NC[C@H]1[C@@H](C)OC(C)(C)N1C(=O)[O-]	ZINC000823511226	613852456	/nfs/dbraw/zinc/85/24/56/613852456.db2.gz	RJPJPBOCJFQMKJ-BDAKNGLRSA-N	-1	0	271.317	0.975	20	30		CCEDRM
C=CCNC(=O)C(C#N)=C([O-])c1ccc2c(n1)OCCO2	ZINC000847623551	613852961	/nfs/dbraw/zinc/85/29/61/613852961.db2.gz	ANRORRRWYVRUKP-VIFPVBQESA-N	-1	0	287.275	0.477	20	30		CCEDRM
C=CCNC(=O)[C@@H](C)OC(=O)C(C)(C)NC(=O)[O-]	ZINC000825687814	613853781	/nfs/dbraw/zinc/85/37/81/613853781.db2.gz	YGSNRFDMPYYLMC-SSDOTTSWSA-N	-1	0	258.274	0.267	20	30		CCEDRM
C=CCNS(=O)(=O)c1ccc(Cl)nc1C(=O)[O-]	ZINC000833376139	613860313	/nfs/dbraw/zinc/86/03/13/613860313.db2.gz	UXJGQYLVAAZQMX-UHFFFAOYSA-N	-1	0	276.701	0.898	20	30		CCEDRM
C=CCOCC(=O)N1C[C@H]2COCC[C@@]2(C(=O)[O-])C1	ZINC000909568577	613879290	/nfs/dbraw/zinc/87/92/90/613879290.db2.gz	WLGPTYDUNOKFKG-GXFFZTMASA-N	-1	0	269.297	0.139	20	30		CCEDRM
C=CCOCC(=O)N[C@]1(CC(=O)[O-])CCCOC1	ZINC000909701020	613879570	/nfs/dbraw/zinc/87/95/70/613879570.db2.gz	VVXPBOIURIMQDY-LBPRGKRZSA-N	-1	0	257.286	0.329	20	30		CCEDRM
C=CCOCCCC(=O)N1CC[N@@H+](CCC(=O)[O-])C[C@H]1C	ZINC000833375551	613879677	/nfs/dbraw/zinc/87/96/77/613879677.db2.gz	DXOZMPVBPHBTFT-CYBMUJFWSA-N	-1	0	298.383	0.977	20	30		CCEDRM
C=CCOCCCC(=O)[N-]S(=O)(=O)CC1(C#N)CC1	ZINC000793197460	613879733	/nfs/dbraw/zinc/87/97/33/613879733.db2.gz	SKFRKWJEOWQIKS-UHFFFAOYSA-N	-1	0	286.353	0.719	20	30		CCEDRM
C=CCOCCCNC(=O)[C@H]1CO[C@H](CCC(=O)[O-])C1	ZINC000902070447	613880245	/nfs/dbraw/zinc/88/02/45/613880245.db2.gz	VOPDGSKPHPKLLD-VXGBXAGGSA-N	-1	0	285.340	0.965	20	30		CCEDRM
C=CCOCCNC(=O)N1CCC[C@H]1CC(=O)[O-]	ZINC000302483094	613880779	/nfs/dbraw/zinc/88/07/79/613880779.db2.gz	ZSYNUKFYTILGBK-JTQLQIEISA-N	-1	0	256.302	0.838	20	30		CCEDRM
C=CCOCCNC(=O)NC1CCN(C(=O)[O-])CC1	ZINC000833376130	613880871	/nfs/dbraw/zinc/88/08/71/613880871.db2.gz	UQQOEHLAYZWPCS-UHFFFAOYSA-N	-1	0	271.317	0.631	20	30		CCEDRM
C=CCOC[C@@H](NC(=O)COC(C)(C)C)C(=O)[O-]	ZINC000909770465	613881627	/nfs/dbraw/zinc/88/16/27/613881627.db2.gz	JTJHNKFJLQBLLF-SECBINFHSA-N	-1	0	259.302	0.574	20	30		CCEDRM
C=CCOC[C@@H](NC(=O)Cc1ccncc1)C(=O)[O-]	ZINC000909772054	613881635	/nfs/dbraw/zinc/88/16/35/613881635.db2.gz	ULVGYCVMUSCTBZ-LLVKDONJSA-N	-1	0	264.281	0.396	20	30		CCEDRM
C=CCOC[C@@H](NC(=O)N[C@@H](C)c1cnn(C)c1)C(=O)[O-]	ZINC000797718367	613881703	/nfs/dbraw/zinc/88/17/03/613881703.db2.gz	DUPYBTKJFKNYPG-GXSJLCMTSA-N	-1	0	296.327	0.436	20	30		CCEDRM
C=CCOC[C@@H](NC(=O)[C@]1(OC)CCSC1)C(=O)[O-]	ZINC000909765818	613881895	/nfs/dbraw/zinc/88/18/95/613881895.db2.gz	FPPAHFFGUFFPBQ-SKDRFNHKSA-N	-1	0	289.353	0.281	20	30		CCEDRM
C=CCOC[C@H](NC(=O)CC1(O)CCCC1)C(=O)[O-]	ZINC000909771471	613882250	/nfs/dbraw/zinc/88/22/50/613882250.db2.gz	NJJGDUXPCYQAOQ-JTQLQIEISA-N	-1	0	271.313	0.454	20	30		CCEDRM
C=CCOC[C@H](NC(=O)CCCn1ccnc1C)C(=O)[O-]	ZINC000909771890	613882293	/nfs/dbraw/zinc/88/22/93/613882293.db2.gz	STJFILXOAKBZPR-LBPRGKRZSA-N	-1	0	295.339	0.744	20	30		CCEDRM
C=CCOC[C@H](NC(=O)C[C@@H]1CCCOC1)C(=O)[O-]	ZINC000909769174	613882302	/nfs/dbraw/zinc/88/23/02/613882302.db2.gz	BLTFQWYKEOURPE-QWRGUYRKSA-N	-1	0	271.313	0.575	20	30		CCEDRM
C=CCOC[C@H](NC(=O)N[C@H]1COC(C)(C)C1)C(=O)[O-]	ZINC000909202594	613882450	/nfs/dbraw/zinc/88/24/50/613882450.db2.gz	QJUYSCIEKHZROS-ZJUUUORDSA-N	-1	0	286.328	0.509	20	30		CCEDRM
C=CCOC[C@H](NC(=O)[C@@H]1CSCCS1)C(=O)[O-]	ZINC000909770725	613882528	/nfs/dbraw/zinc/88/25/28/613882528.db2.gz	KJRBMSSVELGGIC-IUCAKERBSA-N	-1	0	291.394	0.607	20	30		CCEDRM
C=CCOC[C@H](NC(=O)[C@@](C)(C#N)CC)C(=O)[O-]	ZINC000923078377	613882605	/nfs/dbraw/zinc/88/26/05/613882605.db2.gz	GNBNREBOJUZJNT-JOYOIKCWSA-N	-1	0	254.286	0.698	20	30		CCEDRM
C=CCOC[C@H](NC(=O)[C@H]1CCO[C@H]1C(=C)C)C(=O)[O-]	ZINC000909768216	613882698	/nfs/dbraw/zinc/88/26/98/613882698.db2.gz	UDADDNCMXGAJSK-SRVKXCTJSA-N	-1	0	283.324	0.740	20	30		CCEDRM
C=CCOC[C@H](NC(=O)c1cnn(C)c1CC)C(=O)[O-]	ZINC000909771865	613882851	/nfs/dbraw/zinc/88/28/51/613882851.db2.gz	SKGUSYZNIQHQMT-JTQLQIEISA-N	-1	0	281.312	0.368	20	30		CCEDRM
C=CCO[N-]C(=O)C(=O)Nc1c(C)cnn1CC	ZINC000850466943	613883035	/nfs/dbraw/zinc/88/30/35/613883035.db2.gz	YNXZPKJAAGSZRH-UHFFFAOYSA-N	-1	0	252.274	0.384	20	30		CCEDRM
C=CCO[N-]C(=O)[C@H](NS(C)(=O)=O)C(C)(C)C	ZINC000837048589	613884514	/nfs/dbraw/zinc/88/45/14/613884514.db2.gz	VBEQCVBMAGAANH-QMMMGPOBSA-N	-1	0	264.347	0.184	20	30		CCEDRM
C=CCS(=O)(=O)[N-]C(=O)c1ccncc1CC	ZINC000755757912	613886327	/nfs/dbraw/zinc/88/63/27/613886327.db2.gz	HZHKPZFBGHMBNZ-UHFFFAOYSA-N	-1	0	254.311	0.890	20	30		CCEDRM
C=CCS(=O)(=O)[N-]C(=O)c1cn2c(n1)C[C@@H](C)CC2	ZINC000870258999	613886373	/nfs/dbraw/zinc/88/63/73/613886373.db2.gz	LVJVLZGBGYLISE-VIFPVBQESA-N	-1	0	283.353	0.711	20	30		CCEDRM
CC(C)OCCCNC(=O)C(C#N)=C([O-])c1cocn1	ZINC000105755644	614012981	/nfs/dbraw/zinc/01/29/81/614012981.db2.gz	VMXLYULQPFBWRV-SNVBAGLBSA-N	-1	0	279.296	0.928	20	30		CCEDRM
CC(C)(CCCO)CNC(=O)[C@](C)(C#N)CC(=O)[O-]	ZINC000819948415	614083189	/nfs/dbraw/zinc/08/31/89/614083189.db2.gz	UYMDCGFNVMKIIU-ZDUSSCGKSA-N	-1	0	270.329	0.906	20	30		CCEDRM
CC(C)(CNC(=O)[C@@H](O)c1ccc(C#N)cc1)C(=O)[O-]	ZINC000833458395	614104814	/nfs/dbraw/zinc/10/48/14/614104814.db2.gz	RSPYKMPURZOBMA-NSHDSACASA-N	-1	0	276.292	0.819	20	30		CCEDRM
CC(C)N(C(=O)CN1CCN(C(=O)[O-])C[C@H]1C#N)C(C)C	ZINC000824324218	614246983	/nfs/dbraw/zinc/24/69/83/614246983.db2.gz	ROBUSRUORUJLRD-GFCCVEGCSA-N	-1	0	296.371	0.820	20	30		CCEDRM
CC(C)(C#N)CS(=O)(=O)[N-]C(=O)[C@]1(C)CCCCO1	ZINC000838851427	614287104	/nfs/dbraw/zinc/28/71/04/614287104.db2.gz	GIOYPPZYGCTIMT-LBPRGKRZSA-N	-1	0	288.369	0.941	20	30		CCEDRM
CC(C)(C)C(=O)NCCNC(=O)[C@@](C)(C#N)CC(=O)[O-]	ZINC000819901441	614344239	/nfs/dbraw/zinc/34/42/39/614344239.db2.gz	DXXVDBOYFBQTNP-CYBMUJFWSA-N	-1	0	283.328	0.269	20	30		CCEDRM
CC(C)n1cc(/C=C\C(=O)c2cnc([O-])n(C)c2=O)nn1	ZINC000806573975	614351722	/nfs/dbraw/zinc/35/17/22/614351722.db2.gz	XYUUNKDQGAZBKK-PLNGDYQASA-N	-1	0	289.295	0.554	20	30		CCEDRM
CCCn1nccc1C([O-])=C(C#N)C(=O)NCCOC	ZINC000850758042	614552034	/nfs/dbraw/zinc/55/20/34/614552034.db2.gz	XALYKEZFQYKZBU-JTQLQIEISA-N	-1	0	278.312	0.378	20	30		CCEDRM
CCC1(S(=O)(=O)[N-]C(=O)c2cccc(C#N)n2)CC1	ZINC000835537644	614711299	/nfs/dbraw/zinc/71/12/99/614711299.db2.gz	YIVLPBZPVQRZFS-UHFFFAOYSA-N	-1	0	279.321	0.955	20	30		CCEDRM
CCCCCCCNC(=O)C(=O)NC[C@H](C)C(=O)[O-]	ZINC000861723007	614901889	/nfs/dbraw/zinc/90/18/89/614901889.db2.gz	GMDVFRYUFZCUGP-JTQLQIEISA-N	-1	0	272.345	0.910	20	30		CCEDRM
CC1=C(C(=O)[O-])C[C@@H](CN2CCO[C@H](C#N)C2)O1	ZINC000833581493	614959003	/nfs/dbraw/zinc/95/90/03/614959003.db2.gz	XJPNWXQXMAOASF-VHSXEESVSA-N	-1	0	252.270	0.358	20	30		CCEDRM
CC1=CC(=O)C(=C([O-])C=Cc2csnn2)C(=O)O1	ZINC000915981067	614968619	/nfs/dbraw/zinc/96/86/19/614968619.db2.gz	IZMNKTZYDMNQMO-MXQLGCADSA-N	-1	0	264.262	0.766	20	30		CCEDRM
CCN(CCCC(=O)[O-])S(=O)(=O)CC1(C#N)CC1	ZINC000899941004	615042114	/nfs/dbraw/zinc/04/21/14/615042114.db2.gz	SKKOHRWCUOGLBH-UHFFFAOYSA-N	-1	0	274.342	0.807	20	30		CCEDRM
CCC[C@H](NC(=O)[C@@]1(C#N)CCCOC1)C(=O)[O-]	ZINC000908216921	615044994	/nfs/dbraw/zinc/04/49/94/615044994.db2.gz	LFSTXJRNBSWLPF-JOYOIKCWSA-N	-1	0	254.286	0.676	20	30		CCEDRM
CCN(C[C@H](C)C#N)C(=O)CN1CCC[C@@H]1CNC(=O)[O-]	ZINC000827019618	615064426	/nfs/dbraw/zinc/06/44/26/615064426.db2.gz	AQMWNXLCGYUKIY-VXGBXAGGSA-N	-1	0	296.371	0.727	20	30		CCEDRM
CCOCCN1CCN(C(=O)[C@@](C)(C#N)CC(=O)[O-])CC1	ZINC000820377637	615254306	/nfs/dbraw/zinc/25/43/06/615254306.db2.gz	CHAVLMBQUUOHOU-CQSZACIVSA-N	-1	0	297.355	0.172	20	30		CCEDRM
CCOC(=O)[C@@H](C)OC(=O)[C@](C)(C#N)CC(=O)[O-]	ZINC000820361219	615268044	/nfs/dbraw/zinc/26/80/44/615268044.db2.gz	WEOLXABFKFSJMO-HQJQHLMTSA-N	-1	0	257.242	0.486	20	30		CCEDRM
CCOC[C@H](C(=O)[O-])N(C)C(=O)c1cc(C#N)cn1C	ZINC000829961316	615313006	/nfs/dbraw/zinc/31/30/06/615313006.db2.gz	QLWOKDLCSPAOPS-LLVKDONJSA-N	-1	0	279.296	0.458	20	30		CCEDRM
CC[C@@H](/N=C/c1c(O)c(C)ncc1CO)C(=O)[O-]	ZINC000818261662	615364754	/nfs/dbraw/zinc/36/47/54/615364754.db2.gz	VMMZSRATBUUVRX-UAYPQDMZSA-N	-1	0	252.270	0.870	20	30		CCEDRM
CC[C@@H](C#N)NS(=O)(=O)c1csnc1C(=O)[O-]	ZINC000833636264	615366216	/nfs/dbraw/zinc/36/62/16/615366216.db2.gz	MWGMLVHGKLDVIZ-YFKPBYRVSA-N	-1	0	275.311	0.422	20	30		CCEDRM
CCO[N-]C(=O)CNc1cc(C#N)nc(C2CC2)n1	ZINC000865908615	615376540	/nfs/dbraw/zinc/37/65/40/615376540.db2.gz	POSBSQITYNJDJU-UHFFFAOYSA-N	-1	0	261.285	0.705	20	30		CCEDRM
CCO[N-]C(=O)CNc1cccc(C#N)c1[N+](=O)[O-]	ZINC000845714165	615376802	/nfs/dbraw/zinc/37/68/02/615376802.db2.gz	DKYYQQIUEFAJGH-UHFFFAOYSA-N	-1	0	264.241	0.946	20	30		CCEDRM
CCO[C@@H]1C[C@@H]1C(=O)[N-]S(=O)(=O)c1cncc(C#N)c1	ZINC000813984093	615439746	/nfs/dbraw/zinc/43/97/46/615439746.db2.gz	NQKYYCVAXRDIEB-WDEREUQCSA-N	-1	0	295.320	0.183	20	30		CCEDRM
CC[C@@H](NN=C1C(=O)Nc2c1ccc(OC)c2F)C(=O)[O-]	ZINC000834981498	615536252	/nfs/dbraw/zinc/53/62/52/615536252.db2.gz	QXPIUYLTVMTQCY-SSDOTTSWSA-N	-1	0	295.270	0.943	20	30		CCEDRM
CC[C@@](C)(OC)C(=O)[N-]S(=O)(=O)c1cncc(C#N)c1	ZINC000813981004	615592451	/nfs/dbraw/zinc/59/24/51/615592451.db2.gz	QUZNVKCOFGTIFZ-GFCCVEGCSA-N	-1	0	297.336	0.573	20	30		CCEDRM
CCn1nncc1C(=O)[N-]S(=O)(=O)CC1(C#N)CCC1	ZINC000816025943	615748712	/nfs/dbraw/zinc/74/87/12/615748712.db2.gz	GUAXYCJPWIEWEM-UHFFFAOYSA-N	-1	0	297.340	0.051	20	30		CCEDRM
CCc1nnc(COC(=O)[C@@](C)(C#N)CC(=O)[O-])n1C	ZINC000820504040	615814648	/nfs/dbraw/zinc/81/46/48/615814648.db2.gz	QQUCUMLEVYHSQD-GFCCVEGCSA-N	-1	0	280.284	0.425	20	30		CCEDRM
CCc1noc(COC(=O)[C@](C)(C#N)CC(=O)[O-])n1	ZINC000820506307	615841127	/nfs/dbraw/zinc/84/11/27/615841127.db2.gz	BBBCRBQOHPZOQM-NSHDSACASA-N	-1	0	267.241	0.680	20	30		CCEDRM
CN(C(=O)[C@H](C#N)CCc1ccccc1)c1nnn[n-]1	ZINC000912617069	615873571	/nfs/dbraw/zinc/87/35/71/615873571.db2.gz	CQXOINRBSFAPHN-NSHDSACASA-N	-1	0	270.296	0.935	20	30		CCEDRM
CC[S@@](=O)c1ccccc1C(=O)N[C@@H]1CCN(O)C1=O	ZINC000820157120	616007057	/nfs/dbraw/zinc/00/70/57/616007057.db2.gz	SHJKQVFUUSFOEP-CFMSYZGJSA-N	-1	0	296.348	0.534	20	30		CCEDRM
CC[S@](C)(=O)=NS(=O)(=O)[N-][C@]1(C#N)CC1(C)C	ZINC000906066131	616023139	/nfs/dbraw/zinc/02/31/39/616023139.db2.gz	GWJLDPBVYVGNEN-FVMDXXJSSA-N	-1	0	279.387	0.631	20	30		CCEDRM
CCn1ccc(C([O-])=C(C#N)C(=O)NCCCOC)n1	ZINC000842681230	616024907	/nfs/dbraw/zinc/02/49/07/616024907.db2.gz	ISMLCILQIODPTK-JTQLQIEISA-N	-1	0	278.312	0.378	20	30		CCEDRM
CN(C)c1cnc(C([O-])=C(C#N)C(=O)NC2CC2)cn1	ZINC000847624522	616032122	/nfs/dbraw/zinc/03/21/22/616032122.db2.gz	SVYCISDFGUPVJU-VIFPVBQESA-N	-1	0	273.296	0.144	20	30		CCEDRM
CN(C)c1nccc(CNC(=O)[C@@](C)(C#N)CC(=O)[O-])n1	ZINC000820554200	616036709	/nfs/dbraw/zinc/03/67/09/616036709.db2.gz	IKBIBFSOBRSWOE-CYBMUJFWSA-N	-1	0	291.311	0.163	20	30		CCEDRM
CN(CC1CCOCC1)C(=O)[C@](C)(C#N)CC(=O)[O-]	ZINC000820579774	616066926	/nfs/dbraw/zinc/06/69/26/616066926.db2.gz	GNGCHVAYYICMCJ-ZDUSSCGKSA-N	-1	0	268.313	0.876	20	30		CCEDRM
CN(CCC#N)CCCN1C(=O)CS/C1=C\C(=O)[O-]	ZINC000830723448	616067564	/nfs/dbraw/zinc/06/75/64/616067564.db2.gz	VOTIWQHIMUUYEW-FLIBITNWSA-N	-1	0	283.353	0.723	20	30		CCEDRM
CN(CCCF)C(=O)CCn1cc(C#N)c(=O)[n-]c1=O	ZINC000925553474	616073684	/nfs/dbraw/zinc/07/36/84/616073684.db2.gz	SFLCLPXNIUBUOG-UHFFFAOYSA-N	-1	0	282.275	0.029	20	30		CCEDRM
CN(CCN(C)S(=O)(=O)c1ccc(C#N)cc1)C(=O)[O-]	ZINC000833874026	616083950	/nfs/dbraw/zinc/08/39/50/616083950.db2.gz	VVDGROTXXHVGFZ-UHFFFAOYSA-N	-1	0	297.336	0.789	20	30		CCEDRM
CN(Cc1n[n-]c(=O)o1)C[C@@H](O)c1ccc(C#N)cc1	ZINC000852189132	616109067	/nfs/dbraw/zinc/10/90/67/616109067.db2.gz	XBSSRVNNEFWRMS-LLVKDONJSA-N	-1	0	274.280	0.812	20	30		CCEDRM
CN(CCn1cccn1)C(=O)[C@@](C)(C#N)CC(=O)[O-]	ZINC000820597377	616127916	/nfs/dbraw/zinc/12/79/16/616127916.db2.gz	MQQIFXJNFSMKSK-GFCCVEGCSA-N	-1	0	264.285	0.346	20	30		CCEDRM
CN1CC[C@H](N[C@H](C(=O)[O-])c2cccc(C#N)c2)C1=O	ZINC000830927920	616418416	/nfs/dbraw/zinc/41/84/16/616418416.db2.gz	FCZRZYDSPWBBCR-RYUDHWBXSA-N	-1	0	273.292	0.504	20	30		CCEDRM
COC(=O)[C@H](C)[C@@H](C)S(=O)(=O)[N-]C(=O)CCCC#N	ZINC000813085576	616587442	/nfs/dbraw/zinc/58/74/42/616587442.db2.gz	LICNWGPSGKAQKJ-RKDXNWHRSA-N	-1	0	290.341	0.324	20	30		CCEDRM
COC(=O)[C@H]1CCN(C(=O)[C@](C)(C#N)CC(=O)[O-])C1	ZINC000820660377	616662224	/nfs/dbraw/zinc/66/22/24/616662224.db2.gz	DEBDTSKFPLXIDL-UFBFGSQYSA-N	-1	0	268.269	0.012	20	30		CCEDRM
CO[C@@H]1CCOC[C@H]1NC(=O)c1ccc(C#N)c(O)c1	ZINC000889190110	616671247	/nfs/dbraw/zinc/67/12/47/616671247.db2.gz	XHRJKNKOKIHGAO-DGCLKSJQSA-N	-1	0	276.292	0.798	20	30		CCEDRM
CNC(=O)C(C#N)=C([O-])c1ccc(COCCOC)cc1	ZINC000813060813	616777218	/nfs/dbraw/zinc/77/72/18/616777218.db2.gz	KVITVRHENPUXNC-ZDUSSCGKSA-N	-1	0	290.319	0.918	20	30		CCEDRM
COCC1(S(=O)(=O)[N-]C(=O)[C@H](C)CC#N)CC1	ZINC000851036839	616800333	/nfs/dbraw/zinc/80/03/33/616800333.db2.gz	NGBSVECFHTUAIP-MRVPVSSYSA-N	-1	0	260.315	0.161	20	30		CCEDRM
COC[C@](C)(C#N)NC(=O)CCC(C)(C)NC(=O)[O-]	ZINC000828885848	616816300	/nfs/dbraw/zinc/81/63/00/616816300.db2.gz	PAARCEMSRIYUCT-LBPRGKRZSA-N	-1	0	271.317	0.858	20	30		CCEDRM
COC[C@@H](C)S(=O)(=O)[N-]C(=O)c1cc(C)c(C#N)cn1	ZINC000838802599	616838970	/nfs/dbraw/zinc/83/89/70/616838970.db2.gz	NLRLODNJBJSGBL-SECBINFHSA-N	-1	0	297.336	0.356	20	30		CCEDRM
CNC(=O)C(C#N)=C([O-])c1ncn(-c2ccccc2)n1	ZINC000131267611	616839724	/nfs/dbraw/zinc/83/97/24/616839724.db2.gz	DHRYQULHAVEMOA-SNVBAGLBSA-N	-1	0	269.264	0.336	20	30		CCEDRM
COC(=O)c1ccc(C(=O)[N-]S(C)(=O)=O)s1	ZINC000042280077	616873439	/nfs/dbraw/zinc/87/34/39/616873439.db2.gz	LMDZIRCLEUOFIR-UHFFFAOYSA-N	-1	0	263.296	0.799	20	30		CCEDRM
COCCN(CC(=O)O[C@@H](C#N)C1CC1)C(=O)[O-]	ZINC000828980104	616987571	/nfs/dbraw/zinc/98/75/71/616987571.db2.gz	SRWZMBUNWILXRJ-VIFPVBQESA-N	-1	0	256.258	0.458	20	30		CCEDRM
COCCN(CCC(=O)[O-])c1c(C#N)cnn1C	ZINC000900978670	616997413	/nfs/dbraw/zinc/99/74/13/616997413.db2.gz	NSOHVHFGARFCOE-UHFFFAOYSA-N	-1	0	252.274	0.219	20	30		CCEDRM
COC[C@@](C)(C#N)NC(=O)CN(C[C@H]1CCCO1)C(=O)[O-]	ZINC000828885320	617011127	/nfs/dbraw/zinc/01/11/27/617011127.db2.gz	BVDGIMBMQOQNLM-ZWNOBZJWSA-N	-1	0	299.327	0.190	20	30		CCEDRM
COC[C@@](C)(C#N)NC(=O)c1ccc(C(=O)[O-])cn1	ZINC000831540940	617011815	/nfs/dbraw/zinc/01/18/15/617011815.db2.gz	IBGYWLGXXCWCTK-GFCCVEGCSA-N	-1	0	263.253	0.438	20	30		CCEDRM
CNS(=O)(=O)c1cc(NC(=O)C#CC(C)C)ccc1[O-]	ZINC000854386440	617036401	/nfs/dbraw/zinc/03/64/01/617036401.db2.gz	NPSIEYWLLVNLAO-UHFFFAOYSA-N	-1	0	296.348	0.898	20	30		CCEDRM
COC[C@H](C)C=Nn1c(C)cc(C)c(-c2nnn[n-]2)c1=O	ZINC000821681790	617049515	/nfs/dbraw/zinc/04/95/15/617049515.db2.gz	SAXWCHVUQZKCEX-MRVPVSSYSA-N	-1	0	290.327	0.762	20	30		CCEDRM
CON=CC(=O)N1CC[C@](C)([N-]C(=O)C(F)(F)F)C1	ZINC000830802254	617104464	/nfs/dbraw/zinc/10/44/64/617104464.db2.gz	RTCGXZPWOMBROU-VIFPVBQESA-N	-1	0	281.234	0.288	20	30		CCEDRM
CON=Cc1ccc(C(=O)Nn2c(=O)[n-][nH]c2=O)cc1	ZINC000820283778	617107051	/nfs/dbraw/zinc/10/70/51/617107051.db2.gz	ZGRUUXBEDBSNNS-UHFFFAOYSA-N	-1	0	277.240	0.054	20	30		CCEDRM
COc1cc(/C=C\C(=O)[O-])ccc1OCC(=O)NCC#N	ZINC000207443453	617151242	/nfs/dbraw/zinc/15/12/42/617151242.db2.gz	UHGZPGNPNLCDBC-HYXAFXHYSA-N	-1	0	290.275	0.812	20	30		CCEDRM
N#Cc1cc(C(=O)[N-]S(=O)(=O)C2(Cl)CC2)ccn1	ZINC000893234096	625389321	/nfs/dbraw/zinc/38/93/21/625389321.db2.gz	CMCQDNPNRPUQBZ-UHFFFAOYSA-N	-1	0	285.712	0.742	20	30		CCEDRM
Cn1cc(C#N)cc1C(=O)[N-]S(=O)(=O)C1(Cl)CC1	ZINC000893243638	625394674	/nfs/dbraw/zinc/39/46/74/625394674.db2.gz	RKPQJTMVFICTIR-UHFFFAOYSA-N	-1	0	287.728	0.685	20	30		CCEDRM
C#C[C@@H](C)NS(=O)(=O)c1cc(C(=O)[O-])ccc1C	ZINC000122960033	625406607	/nfs/dbraw/zinc/40/66/07/625406607.db2.gz	FOVWDDJCCPORQD-SECBINFHSA-N	-1	0	267.306	0.993	20	30		CCEDRM
CS(=O)(=O)[N-]C(=O)c1ccc(C#N)c(Cl)c1	ZINC000123623596	625490026	/nfs/dbraw/zinc/49/00/26/625490026.db2.gz	UXSVAKHSMUJRJQ-UHFFFAOYSA-N	-1	0	258.686	0.901	20	30		CCEDRM
C=C(Br)CNC(=O)N[C@@](C)(COC)C(=O)[O-]	ZINC000309709993	623189463	/nfs/dbraw/zinc/18/94/63/623189463.db2.gz	WSVYBGGPQGAMIO-VIFPVBQESA-N	-1	0	295.133	0.684	20	30		CCEDRM
COCCNC(=O)C(C#N)=C([O-])c1cc(C(C)C)nn1C	ZINC000177597372	623426125	/nfs/dbraw/zinc/42/61/25/623426125.db2.gz	MZVAMRCMXJDJRH-SNVBAGLBSA-N	-1	0	292.339	0.629	20	30		CCEDRM
N#Cc1cccc(CS(=O)(=O)[N-]C(=O)CCF)c1	ZINC000892663159	623638638	/nfs/dbraw/zinc/63/86/38/623638638.db2.gz	BQCJBGQCFJBZPE-UHFFFAOYSA-N	-1	0	270.285	0.864	20	30		CCEDRM
N#Cc1ccc(S(=O)(=O)N[C@H](CC(=O)[O-])C2CC2)o1	ZINC000806636684	624635961	/nfs/dbraw/zinc/63/59/61/624635961.db2.gz	SUYDLZNTHPRCQI-SECBINFHSA-N	-1	0	284.293	0.683	20	30		CCEDRM
CC(C)(C)[C@H](C(=O)[O-])C(=O)N1CCN(CCC#N)CC1	ZINC000902489179	634397477	/nfs/dbraw/zinc/39/74/77/634397477.db2.gz	LBLZBJQYGPQNPO-NSHDSACASA-N	-1	0	281.356	0.791	20	30		CCEDRM
N#CC1(C(=O)NCCOCC(=O)[O-])CCSCC1	ZINC000907644314	635169261	/nfs/dbraw/zinc/16/92/61/635169261.db2.gz	NHAAOLPEGBGNMY-UHFFFAOYSA-N	-1	0	272.326	0.241	20	30		CCEDRM
Cc1cc(O)c(C(=O)[O-])cc1S(=O)(=O)NCCC#N	ZINC000054156439	631629501	/nfs/dbraw/zinc/62/95/01/631629501.db2.gz	IHGGPQGXTMKLOK-UHFFFAOYSA-N	-1	0	284.293	0.591	20	30		CCEDRM
O=C([N-]S(=O)(=O)Cc1ccccc1)[C@@H]1COCCO1	ZINC000048519454	631729186	/nfs/dbraw/zinc/72/91/86/631729186.db2.gz	XSOUFRXLYFUAPF-NSHDSACASA-N	-1	0	285.321	0.888	20	30		CCEDRM
CO[C@@H](C)C(=O)[N-]S(=O)(=O)N1CCCCC1	ZINC000048869637	631849312	/nfs/dbraw/zinc/84/93/12/631849312.db2.gz	CMPAXMPJYIFNOQ-QMMMGPOBSA-N	-1	0	250.320	0.709	20	30		CCEDRM
CC(C)[C@H](NS(=O)(=O)c1cccnc1C#N)C(=O)[O-]	ZINC000232719390	631909431	/nfs/dbraw/zinc/90/94/31/631909431.db2.gz	XOLGCTQBZYSVFX-JTQLQIEISA-N	-1	0	283.309	0.341	20	30		CCEDRM
N#C[C@]1(C(=O)[N-]OCc2ccccn2)CCCOC1	ZINC000909520378	632071803	/nfs/dbraw/zinc/07/18/03/632071803.db2.gz	PKRGEZGKLDWOOB-CYBMUJFWSA-N	-1	0	261.281	0.950	20	30		CCEDRM
C[C@H](O)CNN=Cc1cc(Cl)ncc1C(=O)[O-]	ZINC000905473175	634864701	/nfs/dbraw/zinc/86/47/01/634864701.db2.gz	HVUHUVBGPVQESY-LURJTMIESA-N	-1	0	257.677	0.738	20	30		CCEDRM
O=C([O-])C#C[C@H]1CCCN(S(=O)(=O)CCCCF)C1	ZINC000899926947	633923318	/nfs/dbraw/zinc/92/33/18/633923318.db2.gz	QGMMUPGNBMOODY-LLVKDONJSA-N	-1	0	291.344	0.866	20	30		CCEDRM
N#CC1(CS(=O)(=O)N2C[C@H]3[C@H](C(=O)[O-])[C@H]3C2)CCCC1	ZINC000899938662	633925843	/nfs/dbraw/zinc/92/58/43/633925843.db2.gz	VTRISRWHIMSKSP-URLYPYJESA-N	-1	0	298.364	0.663	20	30		CCEDRM
C[C@H](CO)N[NH+]=Cc1cc(C(=O)[O-])ccc1N(C)C	ZINC000901195495	634205091	/nfs/dbraw/zinc/20/50/91/634205091.db2.gz	TWPTWPKNARXXCJ-SECBINFHSA-N	-1	0	265.313	0.755	20	30		CCEDRM
C[C@H]1CCN(S(=O)(=O)CC(C)(C)C#N)[C@H]1C(=O)[O-]	ZINC000905992813	634945155	/nfs/dbraw/zinc/94/51/55/634945155.db2.gz	WZZWTSHTUHBCFU-DTWKUNHWSA-N	-1	0	274.342	0.661	20	30		CCEDRM
C[C@H]1CCN(S(=O)(=O)CC(C)(C)C#N)[C@@H]1C(=O)[O-]	ZINC000905992814	634945202	/nfs/dbraw/zinc/94/52/02/634945202.db2.gz	WZZWTSHTUHBCFU-IUCAKERBSA-N	-1	0	274.342	0.661	20	30		CCEDRM
Cc1cn(C(C)(C)C(=O)N[C@@H]2CCCN(O)C2=O)cn1	ZINC000908406454	635368685	/nfs/dbraw/zinc/36/86/85/635368685.db2.gz	RCHHSIUUPSGMNL-SNVBAGLBSA-N	-1	0	280.328	0.423	20	30		CCEDRM
C#CCCCC(=O)N[C@@]1(CC(=O)[O-])CCCOC1	ZINC000909697184	635591608	/nfs/dbraw/zinc/59/16/08/635591608.db2.gz	FYPXHSLIHWYZBV-CYBMUJFWSA-N	-1	0	253.298	0.930	20	30		CCEDRM
C#C[C@@H](CO)NC(=O)C12CCC(C(=O)[O-])(CC1)CC2	ZINC000911611073	636303191	/nfs/dbraw/zinc/30/31/91/636303191.db2.gz	HMDYZVMKUDYSQO-FNBIGBAISA-N	-1	0	265.309	0.522	20	30		CCEDRM
C=CC[C@@H](CO)CNC(=O)C1(C(=O)[O-])CCCC1	ZINC000911651258	636333386	/nfs/dbraw/zinc/33/33/86/636333386.db2.gz	NXTILCYPVSVHJJ-SNVBAGLBSA-N	-1	0	255.314	0.932	20	30		CCEDRM
C=C(Cl)CN1CC[C@@H](NC(=O)c2[nH]nc(C)c2[O-])C1	ZINC001010633687	650248371	/nfs/dbraw/zinc/24/83/71/650248371.db2.gz	BESZGJBIRHNSCF-SECBINFHSA-N	-1	0	284.747	0.980	20	30		CCEDRM
C#CCN1CCN(C(=O)c2ccc([O-])c([N+](=O)[O-])c2)CC1	ZINC000164628625	636876017	/nfs/dbraw/zinc/87/60/17/636876017.db2.gz	HNDLGVLQPDMCET-UHFFFAOYSA-N	-1	0	289.291	0.691	20	30		CCEDRM
C=CCN(CC(=O)[O-])C(=O)N[C@@H](C)[C@H]1CCOC1	ZINC000166614560	636934181	/nfs/dbraw/zinc/93/41/81/636934181.db2.gz	TYTSMYCHUKLWRB-UWVGGRQHSA-N	-1	0	256.302	0.694	20	30		CCEDRM
CNC(=O)C(C#N)=C([O-])c1ccc(OCCOC)cc1	ZINC000171797095	637145142	/nfs/dbraw/zinc/14/51/42/637145142.db2.gz	FGQHDNVRPXAMBH-GFCCVEGCSA-N	-1	0	276.292	0.780	20	30		CCEDRM
N#Cc1cc(CS(=O)(=O)[N-]CC(F)(F)CO)cs1	ZINC000914383048	637610518	/nfs/dbraw/zinc/61/05/18/637610518.db2.gz	PAVQWQTVZXDGJC-UHFFFAOYSA-N	-1	0	296.320	0.667	20	30		CCEDRM
Cc1nnc([S-])n(N=Cc2ccc(C#N)cc2)c1=O	ZINC000916303174	637896335	/nfs/dbraw/zinc/89/63/35/637896335.db2.gz	CHJOAWLZBRDRBS-UHFFFAOYSA-N	-1	0	271.305	0.989	20	30		CCEDRM
O=C1[N-]C(=O)C(=NNc2ccc(Cl)cc2F)C(=O)N1	ZINC000916626723	637912019	/nfs/dbraw/zinc/91/20/19/637912019.db2.gz	ZUZIXDUCFQXRTM-UHFFFAOYSA-N	-1	0	284.634	0.613	20	30		CCEDRM
C=CCCC(=O)[N-]S(=O)(=O)c1cn(CC)c(C)n1	ZINC000180178920	638259086	/nfs/dbraw/zinc/25/90/86/638259086.db2.gz	HOEBUAINVBZLSA-UHFFFAOYSA-N	-1	0	271.342	0.983	20	30		CCEDRM
N#CCCCS(=O)(=O)[N-]C(=O)CCc1ccncc1	ZINC000181294914	638334961	/nfs/dbraw/zinc/33/49/61/638334961.db2.gz	GIYXPCCQVZVRIZ-UHFFFAOYSA-N	-1	0	281.337	0.764	20	30		CCEDRM
CC(=O)N[C@@H](C)C(=O)[N-]S(=O)(=O)c1cccs1	ZINC000069524585	638367505	/nfs/dbraw/zinc/36/75/05/638367505.db2.gz	MZCGGUCVXYRFOH-LURJTMIESA-N	-1	0	276.339	0.918	20	30		CCEDRM
Cc1ccc(CCC(=O)NCC(=O)[N-]S(C)(=O)=O)cc1	ZINC000071850323	638659036	/nfs/dbraw/zinc/65/90/36/638659036.db2.gz	QVNOKSUFNHOUFW-UHFFFAOYSA-N	-1	0	298.364	0.960	20	30		CCEDRM
O=C([N-]S(=O)(=O)N1CCCC1)[C@@H]1C[C@H]2CC[C@@H]1O2	ZINC000073265710	638794210	/nfs/dbraw/zinc/79/42/10/638794210.db2.gz	ROHRVOPLJSOGAT-BBBLOLIVSA-N	-1	0	274.342	0.851	20	30		CCEDRM
N#C[C@@]1(C(=O)N2CCC[C@@H](C(=O)[O-])C2)CCCOC1	ZINC000923042043	640007375	/nfs/dbraw/zinc/00/73/75/640007375.db2.gz	OMYCUMHJEOHJTL-MFKMUULPSA-N	-1	0	266.297	0.630	20	30		CCEDRM
N#C[C@@]1(C(=O)N2CCO[C@H](C(=O)[O-])C2)CC12CCCC2	ZINC000923059536	640011413	/nfs/dbraw/zinc/01/14/13/640011413.db2.gz	YSDAMBLMHMQLGK-IINYFYTJSA-N	-1	0	278.308	0.772	20	30		CCEDRM
N#C[C@]1(C(=O)NC[C@@H](CC(=O)[O-])C2CC2)CCCOC1	ZINC000923094827	640021393	/nfs/dbraw/zinc/02/13/93/640021393.db2.gz	UGAUITXSKSRAFI-BXUZGUMPSA-N	-1	0	280.324	0.924	20	30		CCEDRM
C[C@]1(C(=O)[O-])CN(C(=O)[C@@]2(C#N)CCCOC2)CCO1	ZINC000923102575	640021846	/nfs/dbraw/zinc/02/18/46/640021846.db2.gz	XPQREQOLECWTHJ-CHWSQXEVSA-N	-1	0	282.296	0.009	20	30		CCEDRM
N#C[C@@]1(C(=O)N[C@H](CC2CC2)C(=O)[O-])CCCOC1	ZINC000923101497	640022286	/nfs/dbraw/zinc/02/22/86/640022286.db2.gz	GABWLURMXFSUIO-MFKMUULPSA-N	-1	0	266.297	0.676	20	30		CCEDRM
C[C@@]1(C(=O)[N-]S(=O)(=O)CCCC#N)CCCCO1	ZINC000838850033	640275808	/nfs/dbraw/zinc/27/58/08/640275808.db2.gz	JBFZNXHWVGOLNL-NSHDSACASA-N	-1	0	274.342	0.695	20	30		CCEDRM
N#CCCCS(=O)(=O)[N-]C(=O)COCc1ccccn1	ZINC000805908911	640440909	/nfs/dbraw/zinc/44/09/09/640440909.db2.gz	IIUXGLNDMJFTTP-UHFFFAOYSA-N	-1	0	297.336	0.348	20	30		CCEDRM
C[C@H](C#N)OCCN1[N-]S(=O)(=O)c2ccccc2C1=O	ZINC000801656188	640662436	/nfs/dbraw/zinc/66/24/36/640662436.db2.gz	XOFJSHOJWWULSQ-SECBINFHSA-N	-1	0	295.320	0.264	20	30		CCEDRM
N#Cc1nc(NC(=O)Cc2ccc(F)cn2)[n-]c1C#N	ZINC000806432987	640782425	/nfs/dbraw/zinc/78/24/25/640782425.db2.gz	CRDQYNQZRDUBJF-UHFFFAOYSA-N	-1	0	270.227	0.868	20	30		CCEDRM
CC#CCS(=O)(=O)[N-]C(=O)C1(COC)CCC1	ZINC000810778153	640949267	/nfs/dbraw/zinc/94/92/67/640949267.db2.gz	WEYACCGNRXMAEY-UHFFFAOYSA-N	-1	0	259.327	0.272	20	30		CCEDRM
CC#CCS(=O)(=O)[N-]C(=O)C1CCC(=O)CC1	ZINC000810776161	640949486	/nfs/dbraw/zinc/94/94/86/640949486.db2.gz	IRJPOISSBJKPRX-UHFFFAOYSA-N	-1	0	257.311	0.215	20	30		CCEDRM
O=C([O-])Cn1cc(C=NNC[C@@H]2CCSC2)nn1	ZINC000811657125	640984519	/nfs/dbraw/zinc/98/45/19/640984519.db2.gz	GACPKNYGODKFKP-QMMMGPOBSA-N	-1	0	269.330	0.039	20	30		CCEDRM
N#CCCCC(=O)[N-]S(=O)(=O)c1ccc2c(c1)OCO2	ZINC000813081538	641021340	/nfs/dbraw/zinc/02/13/40/641021340.db2.gz	OKEOWTGAIBREHT-UHFFFAOYSA-N	-1	0	296.304	0.914	20	30		CCEDRM
Cc1c(S(=O)(=O)[N-]C(=O)CC(C)(C)C#N)cnn1C	ZINC000813955468	641051153	/nfs/dbraw/zinc/05/11/53/641051153.db2.gz	IBVGYOWCSSMZIS-UHFFFAOYSA-N	-1	0	284.341	0.473	20	30		CCEDRM
Cc1ccc(C(=O)[N-]S(=O)(=O)c2cncc(C#N)c2)o1	ZINC000813980116	641051158	/nfs/dbraw/zinc/05/11/58/641051158.db2.gz	QXWWOQDEVFIMJL-UHFFFAOYSA-N	-1	0	291.288	0.973	20	30		CCEDRM
O=c1[n-][nH]c(=O)n1N=Cc1cccc(Br)n1	ZINC000814231631	641062500	/nfs/dbraw/zinc/06/25/00/641062500.db2.gz	BEMYUTPUKWPQGA-UHFFFAOYSA-N	-1	0	284.073	0.729	20	30		CCEDRM
Cn1ncc(C=Nn2c(=O)c3ccccc3[n-]c2=S)n1	ZINC000814781114	641075755	/nfs/dbraw/zinc/07/57/55/641075755.db2.gz	XCANEEKSDWOMEO-UHFFFAOYSA-N	-1	0	286.320	0.696	20	30		CCEDRM
C[C@@H]1C[C@H](C(=O)[O-])CCC1=NNCCS(C)(=O)=O	ZINC000814849432	641078398	/nfs/dbraw/zinc/07/83/98/641078398.db2.gz	VKDZFJGTUPSPQS-RKDXNWHRSA-N	-1	0	276.358	0.497	20	30		CCEDRM
C[C@@H]1C(N=Nc2ccc(C(N)=O)nn2)CC[C@H]1CC(=O)[O-]	ZINC000814870108	641079811	/nfs/dbraw/zinc/07/98/11/641079811.db2.gz	NKDGSEOQEZCOCU-YUMQZZPRSA-N	-1	0	291.311	0.864	20	30		CCEDRM
NC(=O)CON=C1CC(C(=O)[O-])(c2ccccc2)C1	ZINC000814893526	641081073	/nfs/dbraw/zinc/08/10/73/641081073.db2.gz	UWWPUIMXBKIRAK-UHFFFAOYSA-N	-1	0	262.265	0.661	20	30		CCEDRM
C[C@@H](O)CNN=Cc1ccc(O[C@H](C)C(=O)[O-])cc1	ZINC000814962622	641085602	/nfs/dbraw/zinc/08/56/02/641085602.db2.gz	PBVQCPLOJRRPHL-NXEZZACHSA-N	-1	0	266.297	0.843	20	30		CCEDRM
Cn1nncc1NN=Cc1[nH]nc2cc(C(=O)[O-])ccc12	ZINC000814979803	641087461	/nfs/dbraw/zinc/08/74/61/641087461.db2.gz	RXDGTMHAJLVCHK-UHFFFAOYSA-N	-1	0	285.267	0.836	20	30		CCEDRM
Cn1nncc1NN=Cc1cc([N+](=O)[O-])ccc1[O-]	ZINC000814982149	641087521	/nfs/dbraw/zinc/08/75/21/641087521.db2.gz	YVMPPJXIMZTEMS-UHFFFAOYSA-N	-1	0	262.229	0.875	20	30		CCEDRM
Cn1cnnc1COCC(=O)Nc1cc(C#N)ccc1[O-]	ZINC000815878004	641127822	/nfs/dbraw/zinc/12/78/22/641127822.db2.gz	OZUYEWULAZQLJP-UHFFFAOYSA-N	-1	0	287.279	0.548	20	30		CCEDRM
N#CC1(CC(=O)[N-]S(=O)(=O)[C@H]2CCCOC2)CC1	ZINC000816009779	641136470	/nfs/dbraw/zinc/13/64/70/641136470.db2.gz	MLWVCOBOWVLSLT-VIFPVBQESA-N	-1	0	272.326	0.305	20	30		CCEDRM
O=C(N[C@@H]1CCN(O)C1=O)c1cc(F)cc(F)c1[O-]	ZINC000820120237	641458565	/nfs/dbraw/zinc/45/85/65/641458565.db2.gz	MEMAVYORVRYZOQ-MRVPVSSYSA-N	-1	0	272.207	0.390	20	30		CCEDRM
O=C(COCc1cccc(Cl)c1)N[C@@H]1CCN(O)C1=O	ZINC000820138398	641469941	/nfs/dbraw/zinc/46/99/41/641469941.db2.gz	ZLOJOUPMSANPER-LLVKDONJSA-N	-1	0	298.726	0.963	20	30		CCEDRM
N#Cc1cc(C(=O)Nn2c(=O)[n-][nH]c2=O)ccc1F	ZINC000820287784	641492847	/nfs/dbraw/zinc/49/28/47/641492847.db2.gz	CMRBPGNRXMTMSO-UHFFFAOYSA-N	-1	0	263.188	0.084	20	30		CCEDRM
C[C@]1(F)CCCN(C(=O)Cn2cc(C#N)c(=O)[n-]c2=O)C1	ZINC000823222520	641748466	/nfs/dbraw/zinc/74/84/66/641748466.db2.gz	FZHLFTGGWYGTJA-ZDUSSCGKSA-N	-1	0	294.286	0.171	20	30		CCEDRM
Cc1cnc(Cn2c(N)nc(-c3nnn[n-]3)c2C#N)s1	ZINC000826318277	641925222	/nfs/dbraw/zinc/92/52/22/641925222.db2.gz	BMHFRYJOJPMPTB-UHFFFAOYSA-N	-1	0	287.312	0.330	20	30		CCEDRM
C[C@H](C#N)C(=O)N1CC[C@](C)([N-]C(=O)C(F)(F)F)C1	ZINC000830820255	642294663	/nfs/dbraw/zinc/29/46/63/642294663.db2.gz	DRWKEGOFFDCMAQ-XCBNKYQSSA-N	-1	0	277.246	0.816	20	30		CCEDRM
N#CC(C(=O)N1CCCC1)=C([O-])c1cn2c(n1)CCC2	ZINC000842681540	642933576	/nfs/dbraw/zinc/93/35/76/642933576.db2.gz	MMJREZMWEVTXKH-SNVBAGLBSA-N	-1	0	272.308	0.774	20	30		CCEDRM
CC#CCS(=O)(=O)[N-]C(=O)C1(C(F)F)CC1	ZINC000842781082	642950361	/nfs/dbraw/zinc/95/03/61/642950361.db2.gz	XLSFIWATQVVHEM-UHFFFAOYSA-N	-1	0	251.254	0.501	20	30		CCEDRM
N#CCCS(=O)(=O)[N-]C(=O)c1ccc(C(F)F)nc1	ZINC000847707129	643548198	/nfs/dbraw/zinc/54/81/98/643548198.db2.gz	FRQQZPWBKPWWJA-UHFFFAOYSA-N	-1	0	289.263	0.992	20	30		CCEDRM
N#CC[C@@]1(O)CCN(S(=O)(=O)c2ccccc2[O-])C1	ZINC000849402354	643739845	/nfs/dbraw/zinc/73/98/45/643739845.db2.gz	ZKIDYNZXPRPSMK-GFCCVEGCSA-N	-1	0	282.321	0.431	20	30		CCEDRM
C[C@@H](CC#N)C(=O)OCCOCC[N-]C(=O)C(F)(F)F	ZINC000850930605	643822749	/nfs/dbraw/zinc/82/27/49/643822749.db2.gz	CSEDGAPEGHQLFD-QMMMGPOBSA-N	-1	0	296.245	0.774	20	30		CCEDRM
C[C@@H](CC#N)C(=O)[N-]S(=O)(=O)CC1(C#N)CC1	ZINC000850940849	643823482	/nfs/dbraw/zinc/82/34/82/643823482.db2.gz	VUPUNYKZDDWAAG-QMMMGPOBSA-N	-1	0	255.299	0.286	20	30		CCEDRM
N#CC1(CS(=O)(=O)[N-]C(=O)[C@H]2[C@@H]3COC[C@@H]32)CCC1	ZINC000850961215	643824414	/nfs/dbraw/zinc/82/44/14/643824414.db2.gz	XSPWNKXBFSFUEF-MYJAWHEDSA-N	-1	0	284.337	0.019	20	30		CCEDRM
Cc1ccn([C@H](C)CC(=O)[N-]S(=O)(=O)CCC#N)n1	ZINC000851016613	643826247	/nfs/dbraw/zinc/82/62/47/643826247.db2.gz	YXIKVUDVCSADDF-SNVBAGLBSA-N	-1	0	284.341	0.502	20	30		CCEDRM
C[C@@H]1CCN(C(=O)CC#N)C[C@@H]1[N-]C(=O)C(F)(F)F	ZINC000856416993	644417834	/nfs/dbraw/zinc/41/78/34/644417834.db2.gz	BWCMFGILJDMRLB-SFYZADRCSA-N	-1	0	277.246	0.816	20	30		CCEDRM
Cc1cccc(COCC(=O)[N-]S(=O)(=O)CCC#N)c1	ZINC000857027628	644456170	/nfs/dbraw/zinc/45/61/70/644456170.db2.gz	UCIAARWYXSVUNR-UHFFFAOYSA-N	-1	0	296.348	0.871	20	30		CCEDRM
C[C@@H]1C(=O)N(N=Cc2cc([N+](=O)[O-])ccc2[O-])C(=O)N1C	ZINC000857217344	644483609	/nfs/dbraw/zinc/48/36/09/644483609.db2.gz	SDBHVYUGZHKSNF-SSDOTTSWSA-N	-1	0	292.251	0.917	20	30		CCEDRM
C[C@H](NCc1nnn(C)n1)c1cccc(C#N)c1[O-]	ZINC000866350360	645521583	/nfs/dbraw/zinc/52/15/83/645521583.db2.gz	ZVQUDBUZXBNELA-QMMMGPOBSA-N	-1	0	258.285	0.638	20	30		CCEDRM
C[C@@H](CC#N)NS(=O)(=O)c1nc[nH]c1Br	ZINC000866673578	645568843	/nfs/dbraw/zinc/56/88/43/645568843.db2.gz	DHLGVHSALIOHRP-YFKPBYRVSA-N	-1	0	293.146	0.753	20	30		CCEDRM
CC#CC[C@@H](NS(=O)(=O)CC[C@@H]1CCOC1)C(=O)[O-]	ZINC000871652247	646162481	/nfs/dbraw/zinc/16/24/81/646162481.db2.gz	GXVAKYFTDYZANX-WDEREUQCSA-N	-1	0	289.353	0.199	20	30		CCEDRM
N#Cc1c[n-]c(=O)n(C[C@@H]2C[C@H]3CCC[C@H]3O2)c1=O	ZINC000871674634	646167638	/nfs/dbraw/zinc/16/76/38/646167638.db2.gz	FQABKSVEKJHTMB-DVVUODLYSA-N	-1	0	261.281	0.366	20	30		CCEDRM
N#C[C@@]1(F)CCN(C(=O)N[C@H]2C[C@@H](C(=O)[O-])C2)C1	ZINC000874415777	646456572	/nfs/dbraw/zinc/45/65/72/646456572.db2.gz	UOEFBSGWBXUUEG-RNSXUZJQSA-N	-1	0	255.249	0.497	20	30		CCEDRM
O=C(Nc1ccnn1C1CC1)N[C@H]1CCCN(O)C1=O	ZINC000934534359	649179323	/nfs/dbraw/zinc/17/93/23/649179323.db2.gz	FCWPZFIALPJWLH-VIFPVBQESA-N	-1	0	279.300	0.720	20	30		CCEDRM
CC(C)OCCCNC(=O)C(C#N)=C([O-])c1ccnn1C	ZINC000159726255	649324173	/nfs/dbraw/zinc/32/41/73/649324173.db2.gz	ULXHCYDHBTVNBQ-NSHDSACASA-N	-1	0	292.339	0.674	20	30		CCEDRM
CCCNC(=O)CCCC(=O)[N-]S(C)(=O)=O	ZINC000076758338	649393653	/nfs/dbraw/zinc/39/36/53/649393653.db2.gz	UVVRRPRHALOGQX-UHFFFAOYSA-N	-1	0	250.320	0.599	20	30		CCEDRM
COCCNC(=O)C(C#N)=C([O-])c1cc(C2CC2)[nH]n1	ZINC000193424206	649537666	/nfs/dbraw/zinc/53/76/66/649537666.db2.gz	PWQIJZSPUUFDOR-SECBINFHSA-N	-1	0	276.296	0.372	20	30		CCEDRM
COC(=O)c1cnc(OC2=C(C)O[C@@H](C)C2=O)[n-]1	ZINC001230279949	805591681	/nfs/dbraw/zinc/59/16/81/805591681.db2.gz	KNPYSBNRBSFHAS-YFKPBYRVSA-N	-1	0	252.226	0.794	20	30		CCEDRM
C#CCSCCNC(=O)c1csc(C(=O)[O-])n1	ZINC000721407237	790639335	/nfs/dbraw/zinc/63/93/35/790639335.db2.gz	KSJCMHBPVOAAMN-UHFFFAOYSA-N	-1	0	270.335	0.938	20	30		CCEDRM
C[C@@H](O)c1ccc(NC(=N[O-])c2nonc2N)cc1	ZINC001210640737	790932658	/nfs/dbraw/zinc/93/26/58/790932658.db2.gz	RZYURAYKSAGFEU-ZCFIWIBFSA-N	-1	0	263.257	0.953	20	30		CCEDRM
C#C[C@@H]1CCCN(S(=O)(=O)c2c[nH]c(C(=O)[O-])c2)C1	ZINC000692401371	791680714	/nfs/dbraw/zinc/68/07/14/791680714.db2.gz	GUVOSOJRWMQKIS-SECBINFHSA-N	-1	0	282.321	0.747	20	30		CCEDRM
CSCC[C@@H](C)Nc1[n-]c(=O)n(C)c(=O)c1C#N	ZINC001120898538	798957969	/nfs/dbraw/zinc/95/79/69/798957969.db2.gz	CWIIOQKWIRCXHD-SSDOTTSWSA-N	-1	0	268.342	0.499	20	30		CCEDRM
COCc1nn(C)cc1C([O-])=C(C#N)C(=O)NC(C)C	ZINC001122453394	799239218	/nfs/dbraw/zinc/23/92/18/799239218.db2.gz	YPOKJNFHOZLUHK-VIFPVBQESA-N	-1	0	278.312	0.414	20	30		CCEDRM
N#CC(C(=O)NC1CC1)=C([O-])c1ccn(C(F)F)n1	ZINC001122499313	799250450	/nfs/dbraw/zinc/25/04/50/799250450.db2.gz	GZRGINIZVMWIGJ-SSDOTTSWSA-N	-1	0	268.223	0.879	20	30		CCEDRM
C=C(C)[C@@H]1OCC[C@@H]1C(=O)NC[C@H](C(=O)[O-])[C@H]1CCOC1	ZINC001123294941	799386232	/nfs/dbraw/zinc/38/62/32/799386232.db2.gz	BUUDPWNCOLRNDC-CYDGBPFRSA-N	-1	0	297.351	0.821	20	30		CCEDRM
N#Cc1ncn(CC(=O)Nc2ccc(F)c(F)c2[O-])n1	ZINC001141879908	800043916	/nfs/dbraw/zinc/04/39/16/800043916.db2.gz	KGPYQEOEASUCMU-UHFFFAOYSA-N	-1	0	279.206	0.772	20	30		CCEDRM
C#CC[C@H](NC(=O)c1ccc([N+](=O)[O-])cc1[O-])C(=O)OC	ZINC001141998240	800054945	/nfs/dbraw/zinc/05/49/45/800054945.db2.gz	LZANWADUDIPPKF-JTQLQIEISA-N	-1	0	292.247	0.595	20	30		CCEDRM
C[C@@H](C#N)CN(C)C(=O)CCCn1c(=O)[n-][nH]c1=O	ZINC001142056780	800063539	/nfs/dbraw/zinc/06/35/39/800063539.db2.gz	CQQVEKNIHFPHLX-QMMMGPOBSA-N	-1	0	267.289	0.088	20	30		CCEDRM
N#Cc1cccc(ONC(=O)c2ccoc2CC(N)=O)c1	ZINC001151431575	800425136	/nfs/dbraw/zinc/42/51/36/800425136.db2.gz	CGWWVFDTAYXGBS-UHFFFAOYSA-N	-1	0	285.259	0.903	20	30		CCEDRM
N#CC1(NC(=O)c2c[n-]c3cccnc3c2=O)CCOCC1	ZINC001153863473	800680717	/nfs/dbraw/zinc/68/07/17/800680717.db2.gz	OXPWVQIOJXYSHA-UHFFFAOYSA-N	-1	0	298.302	0.726	20	30		CCEDRM
Cn1[n-]nnc1=NC(=O)c1cc2cc(C#N)ccc2[nH]1	ZINC001156452215	801167947	/nfs/dbraw/zinc/16/79/47/801167947.db2.gz	IIWAZKWVQOKWQE-UHFFFAOYSA-N	-1	0	267.252	0.237	20	30		CCEDRM
N#Cc1cnc(Cl)nc1NCC(=O)CCC(=O)[O-]	ZINC001160874463	802037758	/nfs/dbraw/zinc/03/77/58/802037758.db2.gz	VIDLECMPUVBWMS-UHFFFAOYSA-N	-1	0	268.660	0.269	20	30		CCEDRM
COC(=O)c1ccc([N-]S(C)(=O)=O)c(C#N)c1	ZINC001252742297	807953723	/nfs/dbraw/zinc/95/37/23/807953723.db2.gz	RHEAPBVFJQMKQU-UHFFFAOYSA-N	-1	0	254.267	0.716	20	30		CCEDRM
C=CCS(=O)(=O)[N-]c1cnc(C(=O)OCC)cn1	ZINC001259922835	808804740	/nfs/dbraw/zinc/80/47/40/808804740.db2.gz	VQAOUXGVSJFKIR-UHFFFAOYSA-N	-1	0	271.298	0.581	20	30		CCEDRM
Cc1noc([N-]S(=O)(=O)c2ccn(C)n2)c1C#N	ZINC001259937109	808811670	/nfs/dbraw/zinc/81/16/70/808811670.db2.gz	HKNFNCKCZWFDTQ-UHFFFAOYSA-N	-1	0	267.270	0.389	20	30		CCEDRM
N#CCc1nccnc1NCC[N-]C(=O)C(F)(F)F	ZINC001164238655	802694395	/nfs/dbraw/zinc/69/43/95/802694395.db2.gz	ZZUPQKVRALIDLW-UHFFFAOYSA-N	-1	0	273.218	0.633	20	30		CCEDRM
C#CCOc1ccccc1NC(=O)N=c1nn[n-]n1CC	ZINC001217906332	803925537	/nfs/dbraw/zinc/92/55/37/803925537.db2.gz	WZOJFNSGFWTHLQ-UHFFFAOYSA-N	-1	0	286.295	0.771	20	30		CCEDRM
C=CCOCCCNS(=O)(=O)[C@H]1CCC[C@H]1C(=O)[O-]	ZINC001465106127	804075633	/nfs/dbraw/zinc/07/56/33/804075633.db2.gz	BGUHMKOJTQSGOW-MNOVXSKESA-N	-1	0	291.369	0.752	20	30		CCEDRM
C=CCC[C@@H](NS(=O)(=O)c1c[nH]c(C)n1)C(=O)[O-]	ZINC000315683565	804639747	/nfs/dbraw/zinc/63/97/47/804639747.db2.gz	BQOLWTGOYFKZID-MRVPVSSYSA-N	-1	0	273.314	0.416	20	30		CCEDRM
C=CCC[C@H](NC(=O)[C@H](C)n1cncn1)C(=O)[O-]	ZINC000315705424	804641145	/nfs/dbraw/zinc/64/11/45/804641145.db2.gz	FQCPBHGUEUJCPP-IUCAKERBSA-N	-1	0	252.274	0.375	20	30		CCEDRM
C=CCOC[C@@H](CS(=O)(=O)[O-])OCc1nc(C)no1	ZINC001222403732	804898018	/nfs/dbraw/zinc/89/80/18/804898018.db2.gz	XMEJAWPTJAWJDD-VIFPVBQESA-N	-1	0	292.313	0.354	20	30		CCEDRM
C=CC(C)(C)C(=O)NC[C@@H]1CCN1Cc1n[nH]c(=O)[n-]1	ZINC001276899200	804979999	/nfs/dbraw/zinc/97/99/99/804979999.db2.gz	NQDZSFVQSYVDJR-VIFPVBQESA-N	-1	0	279.344	0.413	20	30		CCEDRM
N#Cc1ncccc1OC(=O)[C@H](O)CCC(=O)[O-]	ZINC001225670729	805149120	/nfs/dbraw/zinc/14/91/20/805149120.db2.gz	MPINHJRJFRKUNR-MRVPVSSYSA-N	-1	0	250.210	0.084	20	30		CCEDRM
N#Cc1cc(Cl)cc(OC(=O)[C@H](O)CC(=O)[O-])c1	ZINC001225698658	805151974	/nfs/dbraw/zinc/15/19/74/805151974.db2.gz	XKGFHQYCFLLZIM-SECBINFHSA-N	-1	0	269.640	0.953	20	30		CCEDRM
C=C[C@H](Oc1[n-]c(=O)c(F)cc1C#N)C(=O)OC	ZINC001226008946	805185983	/nfs/dbraw/zinc/18/59/83/805185983.db2.gz	ORNIEYPPMDCOHM-QMMMGPOBSA-N	-1	0	252.201	0.904	20	30		CCEDRM
N#Cc1ccc(C2CC2)nc1OC(=O)[C@@H](O)CC(=O)[O-]	ZINC001226263048	805213797	/nfs/dbraw/zinc/21/37/97/805213797.db2.gz	ZDHUXHNQCZEUTG-JTQLQIEISA-N	-1	0	276.248	0.572	20	30		CCEDRM
Cc1cc(OC(=O)[C@H](O)CCC(=O)[O-])cnc1C#N	ZINC001227346640	805343469	/nfs/dbraw/zinc/34/34/69/805343469.db2.gz	LXLAJQVIFCNWLH-SNVBAGLBSA-N	-1	0	264.237	0.393	20	30		CCEDRM
CO[N-]C(=O)CNC(=O)NCc1cccc(OCC#N)c1	ZINC001227497151	805359116	/nfs/dbraw/zinc/35/91/16/805359116.db2.gz	BGTCRHHKETWELS-UHFFFAOYSA-N	-1	0	292.295	0.066	20	30		CCEDRM
N#Cc1c(Cl)cccc1OC(=O)[C@@H](O)CC(=O)[O-]	ZINC001227790334	805390592	/nfs/dbraw/zinc/39/05/92/805390592.db2.gz	UKKNMPANHORVIZ-QMMMGPOBSA-N	-1	0	269.640	0.953	20	30		CCEDRM
N#CCCN1CC(Oc2[n-]c(=O)nc3cc[nH]c32)C1	ZINC001227809268	805393921	/nfs/dbraw/zinc/39/39/21/805393921.db2.gz	NZBCAFVLHNEVNQ-UHFFFAOYSA-N	-1	0	259.269	0.640	20	30		CCEDRM
N#Cc1c(F)cc(OC(=O)[C@@H](O)CC(=O)[O-])cc1F	ZINC001228220462	805422397	/nfs/dbraw/zinc/42/23/97/805422397.db2.gz	CUHUSWXEGWISRV-VIFPVBQESA-N	-1	0	271.175	0.577	20	30		CCEDRM
N#Cc1ccc(OC(=O)[C@H](O)CC(=O)[O-])cc1C#N	ZINC001228260281	805424143	/nfs/dbraw/zinc/42/41/43/805424143.db2.gz	QZAQCVYRNCGKPM-SNVBAGLBSA-N	-1	0	260.205	0.171	20	30		CCEDRM
C=CCOC[C@H](CS(=O)(=O)[O-])Oc1coccc1=O	ZINC001228998184	805495969	/nfs/dbraw/zinc/49/59/69/805495969.db2.gz	OEQPJHVEUTUQLM-SECBINFHSA-N	-1	0	290.293	0.478	20	30		CCEDRM
N#Cc1ccc(-c2noc(Cn3nn[n-]c3=S)n2)nc1	ZINC001247237401	807458596	/nfs/dbraw/zinc/45/85/96/807458596.db2.gz	ZPXCMCBDLQGWBO-UHFFFAOYSA-N	-1	0	286.280	0.327	20	30		CCEDRM
Cc1nc2cc[n-]n2c(=O)c1CC(=O)NCCCCC#N	ZINC001251646606	807692056	/nfs/dbraw/zinc/69/20/56/807692056.db2.gz	WNZMMOXJTSINQS-UHFFFAOYSA-N	-1	0	287.323	0.684	20	30		CCEDRM
C=C[C@H]1C[C@@]1([N-]S(=O)(=O)C(F)(F)F)C(=O)OCC	ZINC001252385919	807817993	/nfs/dbraw/zinc/81/79/93/807817993.db2.gz	HHJNJRGNMKXMQR-XPUUQOCRSA-N	-1	0	287.259	0.933	20	30		CCEDRM
C=C[C@@](C)(O)CNc1ccc2c(c1)S(=O)(=O)[N-]C2=O	ZINC001252564280	807912366	/nfs/dbraw/zinc/91/23/66/807912366.db2.gz	DTGJZMPHGIYCJE-GFCCVEGCSA-N	-1	0	282.321	0.468	20	30		CCEDRM
C#CC[S@](=O)Cc1cn(CCCC(=O)[O-])nn1	ZINC001254085917	808179507	/nfs/dbraw/zinc/17/95/07/808179507.db2.gz	FYMPUMCFFPULBI-KRWDZBQOSA-N	-1	0	255.299	0.025	20	30		CCEDRM
N#Cc1ccccc1S(=O)(=O)NCC[P@](=O)([O-])O	ZINC001258304683	808670518	/nfs/dbraw/zinc/67/05/18/808670518.db2.gz	IUEKOHJPYPFKRX-UHFFFAOYSA-N	-1	0	290.237	0.014	20	30		CCEDRM
Cc1noc(C)c1S(=O)(=O)[N-]c1ncn(C)c1C#N	ZINC001258531608	808693205	/nfs/dbraw/zinc/69/32/05/808693205.db2.gz	SEQSPQQRMSDXHM-UHFFFAOYSA-N	-1	0	281.297	0.697	20	30		CCEDRM
Cc1cnc(C#N)c([N-]S(=O)(=O)c2cn(C)cn2)c1	ZINC001258993766	808709938	/nfs/dbraw/zinc/70/99/38/808709938.db2.gz	GVTBXCWXJKOFBA-UHFFFAOYSA-N	-1	0	277.309	0.796	20	30		CCEDRM
COC(=O)CS(=O)(=O)[N-]c1cc(C#N)cc(OC)c1	ZINC001259026648	808724186	/nfs/dbraw/zinc/72/41/86/808724186.db2.gz	PQNKZFIEZQASMO-UHFFFAOYSA-N	-1	0	284.293	0.482	20	30		CCEDRM
N#Cc1cncc([N-]S(=O)(=O)c2ccccn2)n1	ZINC001259282320	808748818	/nfs/dbraw/zinc/74/88/18/808748818.db2.gz	MIBXHMBVTNFEEM-UHFFFAOYSA-N	-1	0	261.266	0.544	20	30		CCEDRM
Cn1cc(S(=O)(=O)[N-]c2cc(F)cnc2C#N)cn1	ZINC001259821052	808776386	/nfs/dbraw/zinc/77/63/86/808776386.db2.gz	FMNWKFSMCMQPIK-UHFFFAOYSA-N	-1	0	281.272	0.627	20	30		CCEDRM
CCn1cc(S(=O)(=O)[N-]c2cn(C)nc2C#N)cn1	ZINC001259832501	808782386	/nfs/dbraw/zinc/78/23/86/808782386.db2.gz	GXNMSTYCBDHBLC-UHFFFAOYSA-N	-1	0	280.313	0.309	20	30		CCEDRM
Cc1nc(C#N)c([N-]S(=O)(=O)c2ccn(C)n2)o1	ZINC001259938321	808813607	/nfs/dbraw/zinc/81/36/07/808813607.db2.gz	KOOURNQGXFQFLE-UHFFFAOYSA-N	-1	0	267.270	0.389	20	30		CCEDRM
C#C[C@@H](C)[N-]S(=O)(=O)c1nc2nc(Cl)ccn2n1	ZINC001260180708	808855247	/nfs/dbraw/zinc/85/52/47/808855247.db2.gz	WWUGBUDSZAVLND-ZCFIWIBFSA-N	-1	0	285.716	0.078	20	30		CCEDRM
N#Cc1cnoc1[N-]S(=O)(=O)c1cccc2nonc21	ZINC001260435741	808861160	/nfs/dbraw/zinc/86/11/60/808861160.db2.gz	QMRUDYFHXZIQOT-UHFFFAOYSA-N	-1	0	291.248	0.883	20	30		CCEDRM
Cc1nc(S(=O)(=O)[N-]c2cnccc2C#N)cn1C	ZINC001260541987	808862601	/nfs/dbraw/zinc/86/26/01/808862601.db2.gz	JOMGPGIXDUNCCX-UHFFFAOYSA-N	-1	0	277.309	0.796	20	30		CCEDRM
N#CCCN1CCN(C(=O)[C@H](C(=O)[O-])C2CC2)CC1	ZINC001262159838	809212131	/nfs/dbraw/zinc/21/21/31/809212131.db2.gz	LHKQIGIHSBWXGR-LLVKDONJSA-N	-1	0	265.313	0.155	20	30		CCEDRM
C[C@@H]1CCC[C@@H]1CNc1[n-]c(=O)n(C)c(=O)c1C#N	ZINC001262695136	809397272	/nfs/dbraw/zinc/39/72/72/809397272.db2.gz	RKNKOSVYGFQIAB-RKDXNWHRSA-N	-1	0	262.313	0.793	20	30		CCEDRM
C#C[C@@H]1CCCN(c2nnc(Cc3nn[nH]n3)n2CC)C1	ZINC001263015080	809426525	/nfs/dbraw/zinc/42/65/25/809426525.db2.gz	BLAJBZHPASZRHB-SNVBAGLBSA-N	-1	0	286.343	0.252	20	30		CCEDRM
CNC(=O)c1cccc(C([O-])=C(C#N)C(=O)NC(C)C)n1	ZINC001263291513	809503502	/nfs/dbraw/zinc/50/35/02/809503502.db2.gz	ZIPNEFNWDJFCOF-SECBINFHSA-N	-1	0	288.307	0.288	20	30		CCEDRM
C#CCN(C)c1nnc(CCc2nn[nH]n2)n1CC1CC1	ZINC001263673746	809550350	/nfs/dbraw/zinc/55/03/50/809550350.db2.gz	BXZPGXLZSCHVOF-UHFFFAOYSA-N	-1	0	286.343	0.056	20	30		CCEDRM
C#CC[C@@H](NC(=O)[C@@H]1CCCN(C(=O)C2CC2)C1)C(=O)[O-]	ZINC000149964250	811484262	/nfs/dbraw/zinc/48/42/62/811484262.db2.gz	GMTBOBPXROQPRA-VXGBXAGGSA-N	-1	0	292.335	0.228	20	30		CCEDRM
C=CCOC[C@@H](CS(=O)(=O)[O-])Oc1ncc[nH]1	ZINC001228297476	814665671	/nfs/dbraw/zinc/66/56/71/814665671.db2.gz	LSVCUJBZSOCAKO-QMMMGPOBSA-N	-1	0	262.287	0.248	20	30		CCEDRM
C=CCOC[C@H](CS(=O)(=O)[O-])OCCSC	ZINC001225035266	815923618	/nfs/dbraw/zinc/92/36/18/815923618.db2.gz	FBCOQCRRMYHTSX-SECBINFHSA-N	-1	0	270.372	0.825	20	30		CCEDRM
C=CCOC[C@H](CS(=O)(=O)[O-])OCCC(=O)OCC	ZINC001205072997	816275036	/nfs/dbraw/zinc/27/50/36/816275036.db2.gz	ZLNNSLMOMTVLSG-SNVBAGLBSA-N	-1	0	296.341	0.415	20	30		CCEDRM
C=CCC[C@H](NC(=O)N[C@@H]1COC[C@H]1C)C(=O)[O-]	ZINC000699543266	816773066	/nfs/dbraw/zinc/77/30/66/816773066.db2.gz	ZSRQMUPOOLBJLA-KXUCPTDWSA-N	-1	0	256.302	0.740	20	30		CCEDRM
C#Cc1cccc(CNC(=O)CCc2nnn[n-]2)c1	ZINC001161803512	818466711	/nfs/dbraw/zinc/46/67/11/818466711.db2.gz	LFEFMWKYPNFRAC-UHFFFAOYSA-N	-1	0	255.281	0.430	20	30		CCEDRM
CNC(=O)C(C#N)=C([O-])c1ccc(N2CCCC2=O)cc1	ZINC000133237123	818673616	/nfs/dbraw/zinc/67/36/16/818673616.db2.gz	ISYHTMXJSMZWLH-LBPRGKRZSA-N	-1	0	285.303	0.882	20	30		CCEDRM
CNC(=O)C(C#N)=C([O-])c1c(C)nn2c1nc(C)cc2C	ZINC000133568813	818686614	/nfs/dbraw/zinc/68/66/14/818686614.db2.gz	SWUXJFPVCFZMJG-JTQLQIEISA-N	-1	0	285.307	0.723	20	30		CCEDRM
C=C(C)CN1CCO[C@@H](CNC(=O)c2[nH]nc(C)c2[O-])C1	ZINC001035342770	819481927	/nfs/dbraw/zinc/48/19/27/819481927.db2.gz	LRAHTSDVDONYOZ-NSHDSACASA-N	-1	0	294.355	0.430	20	30		CCEDRM
C=C[C@@H](C)O[N-]C(=O)C(=O)Nc1ccc(C2CC2)nn1	ZINC001118314365	820331278	/nfs/dbraw/zinc/33/12/78/820331278.db2.gz	XDMQJMYFCJOUQK-MRVPVSSYSA-N	-1	0	276.296	0.915	20	30		CCEDRM
O=C([O-])CNN=Cc1ccc(Br)cn1	ZINC000378869472	821598982	/nfs/dbraw/zinc/59/89/82/821598982.db2.gz	JZHVEONMEVDINK-UHFFFAOYSA-N	-1	0	258.075	0.852	20	30		CCEDRM
C=CCN1CC[C@H]1CN(C)C(=O)c1n[nH]c(C)c1[O-]	ZINC001085550112	821785482	/nfs/dbraw/zinc/78/54/82/821785482.db2.gz	LLGYQFDYIRHJNX-JTQLQIEISA-N	-1	0	264.329	0.756	20	30		CCEDRM
C=CCOC[C@@H](CS(=O)(=O)[O-])OC[C@H]1CCCO1	ZINC001205991205	822328196	/nfs/dbraw/zinc/32/81/96/822328196.db2.gz	BXXCSHUYACGWNF-MNOVXSKESA-N	-1	0	280.342	0.641	20	30		CCEDRM
C[C@]1(C(=O)[N-]S(=O)(=O)CC2(C#N)CC2)CCCOC1	ZINC000793204014	837407384	/nfs/dbraw/zinc/40/73/84/837407384.db2.gz	IOCRAFLQGOCIPT-NSHDSACASA-N	-1	0	286.353	0.553	20	30		CCEDRM
C[C@H](C(=O)[N-]S(=O)(=O)CC1(C#N)CC1)c1cnn(C)c1	ZINC000793204345	837407411	/nfs/dbraw/zinc/40/74/11/837407411.db2.gz	IGKBYPXRVOZQGH-VIFPVBQESA-N	-1	0	296.352	0.273	20	30		CCEDRM
N#C[C@H](Cc1ccc(O)cc1)C(=O)NCc1n[nH]c(=O)[n-]1	ZINC001183613390	844056751	/nfs/dbraw/zinc/05/67/51/844056751.db2.gz	NKYLCGUGTVQHER-VIFPVBQESA-N	-1	0	287.279	0.215	20	30		CCEDRM
C[C@H](C#N)N(C)C(=O)COc1ccc(OCC(=O)[O-])cc1	ZINC001183907097	844119113	/nfs/dbraw/zinc/11/91/13/844119113.db2.gz	RVNPSBMJXPXBRE-SNVBAGLBSA-N	-1	0	292.291	0.899	20	30		CCEDRM
C[C@]1(CO)CN(C(=O)CCC(=O)C2=CC=C[CH]2)CC[C@@H]1O	ZINC001184244007	844187180	/nfs/dbraw/zinc/18/71/80/844187180.db2.gz	GDIBXTHBFKFASV-GOEBONIOSA-N	-1	0	292.355	0.628	20	30		CCEDRM
COCCN1CCN(C(=O)CCC(=O)C2=CC=C[CH]2)CC1	ZINC001184245322	844187342	/nfs/dbraw/zinc/18/73/42/844187342.db2.gz	UHDAOEXJABECNE-UHFFFAOYSA-N	-1	0	291.371	0.827	20	30		CCEDRM
CSCC[C@H](NC(=O)CCC(=O)C1=CC=C[CH]1)C(N)=O	ZINC001184245783	844187651	/nfs/dbraw/zinc/18/76/51/844187651.db2.gz	AWZOLHSEOHOUEP-NSHDSACASA-N	-1	0	295.384	0.759	20	30		CCEDRM
C[C@@H](NC(=O)c1cn[nH]n1)[C@@H](C)Nc1ccc(C#N)cn1	ZINC001113356491	837094674	/nfs/dbraw/zinc/09/46/74/837094674.db2.gz	IHONLDZPTALZAU-RKDXNWHRSA-N	-1	0	285.311	0.690	20	30		CCEDRM
N#C[C@H](Nc1ccc(C(=O)[O-])c([N+](=O)[O-])c1)C(N)=O	ZINC001170543135	838008765	/nfs/dbraw/zinc/00/87/65/838008765.db2.gz	WAYIPLKBTKCTIL-ZETCQYMHSA-N	-1	0	264.197	0.082	20	30		CCEDRM
CC#CCS(=O)(=O)[N-]C(=O)c1cnc(CC)s1	ZINC000810778179	838405879	/nfs/dbraw/zinc/40/58/79/838405879.db2.gz	XNOXUNRCLLDSOO-UHFFFAOYSA-N	-1	0	272.351	0.788	20	30		CCEDRM
CSc1ncc([O-])c(C(=O)N2CCOC[C@H]2C#N)n1	ZINC001185176337	844356333	/nfs/dbraw/zinc/35/63/33/844356333.db2.gz	IQKIFQKGPMRCNG-SSDOTTSWSA-N	-1	0	280.309	0.269	20	30		CCEDRM
Cc1ccc(C(=O)[O-])cc1S(=O)(=O)N(C)CC#N	ZINC001185895775	844470148	/nfs/dbraw/zinc/47/01/48/844470148.db2.gz	AKXGKRYIBYIYFH-UHFFFAOYSA-N	-1	0	268.294	0.837	20	30		CCEDRM
C#CC(=O)Nc1ccc(S(=O)(=O)[N-]C(=O)OC)cc1	ZINC001143914144	839893385	/nfs/dbraw/zinc/89/33/85/839893385.db2.gz	GSHBUWOSHGGDQP-UHFFFAOYSA-N	-1	0	282.277	0.303	20	30		CCEDRM
COC(=O)n1ncc(C#N)c1NC(=O)c1ncccn1	ZINC001147419281	840588824	/nfs/dbraw/zinc/58/88/24/840588824.db2.gz	NNBKSHOOFDZVPQ-UHFFFAOYSA-N	-1	0	272.224	0.412	20	30		CCEDRM
N#C[C@@H]1CNCCN1C(=O)c1cc(=O)n(-c2ccccc2)[n-]1	ZINC001147880931	840713208	/nfs/dbraw/zinc/71/32/08/840713208.db2.gz	MFUANOISLLYHDA-GFCCVEGCSA-N	-1	0	297.318	0.103	20	30		CCEDRM
N#Cc1nc(N)c(NC(=O)c2cccc(O)c2[O-])nc1C#N	ZINC001148213137	840763516	/nfs/dbraw/zinc/76/35/16/840763516.db2.gz	XISLULGTYZWAAR-UHFFFAOYSA-N	-1	0	296.246	0.466	20	30		CCEDRM
Cc1cc(N[C@@H]2C(=O)N(O)C[C@@H]2C)cnc1C(=O)[O-]	ZINC001171368517	840966867	/nfs/dbraw/zinc/96/68/67/840966867.db2.gz	HKCGQCNOEYQLKL-CBAPKCEASA-N	-1	0	265.269	0.736	20	30		CCEDRM
CC[C@@H](CC#N)NS(=O)(=O)c1ccc(C)nn1	ZINC000712816447	841111796	/nfs/dbraw/zinc/11/17/96/841111796.db2.gz	GCVJJIWYCAGWNJ-VIFPVBQESA-N	-1	0	254.315	0.756	20	30		CCEDRM
N#Cc1ccc(N2C[C@H]3COCC[C@@]3(C(=O)[O-])C2)cn1	ZINC000715764442	841397304	/nfs/dbraw/zinc/39/73/04/841397304.db2.gz	FOVDGTLQNCYPFB-IINYFYTJSA-N	-1	0	273.292	0.881	20	30		CCEDRM
CC(C)(C)n1cc(C#N)cc1NC(=O)Cc1nnn[n-]1	ZINC001176838203	842425164	/nfs/dbraw/zinc/42/51/64/842425164.db2.gz	RVYIDXRGVSSUSK-UHFFFAOYSA-N	-1	0	273.300	0.809	20	30		CCEDRM
N#Cc1c(F)ccc(NC(=O)Cc2nnn[n-]2)c1F	ZINC001176842074	842428038	/nfs/dbraw/zinc/42/80/38/842428038.db2.gz	BFYROVBLJCLCFG-UHFFFAOYSA-N	-1	0	264.195	0.531	20	30		CCEDRM
CC(C)C[C@](C)(C#N)NC(=O)Cn1nn[n-]c1=S	ZINC001177742670	842665300	/nfs/dbraw/zinc/66/53/00/842665300.db2.gz	GZCAYZCKXKQUOB-SNVBAGLBSA-N	-1	0	268.346	0.406	20	30		CCEDRM
N#C[C@@H](Cc1cccs1)C(=O)N[C@@H]1SC(=O)[N-]C1=O	ZINC001177916272	842708034	/nfs/dbraw/zinc/70/80/34/842708034.db2.gz	FODZKAOEZREDJL-LHLIQPBNSA-N	-1	0	295.345	0.856	20	30		CCEDRM
C=CCCC[C@H](NC(=O)CCc1nnn[n-]1)C(=O)OC	ZINC001177964495	842714167	/nfs/dbraw/zinc/71/41/67/842714167.db2.gz	LTBPUQQAPWMTMK-VIFPVBQESA-N	-1	0	281.316	0.146	20	30		CCEDRM
N#C[C@H]1COCCN1C(=O)C(F)(F)C(F)(F)C(=O)[O-]	ZINC001180173102	843108967	/nfs/dbraw/zinc/10/89/67/843108967.db2.gz	FSSRMYOPBALIIE-YFKPBYRVSA-N	-1	0	284.165	0.093	20	30		CCEDRM
CC(=O)N[C@@H](CCO)C(=O)Nc1cc(C#N)c(F)cc1[O-]	ZINC001182129336	843723036	/nfs/dbraw/zinc/72/30/36/843723036.db2.gz	DHTKZFMTXZNMNF-JTQLQIEISA-N	-1	0	295.270	0.229	20	30		CCEDRM
COc1ccc(C(NO)=[NH+]C([O-])=C([O-])C(F)(F)F)nc1	ZINC001183200095	843982217	/nfs/dbraw/zinc/98/22/17/843982217.db2.gz	DASVCSUZMWNQTG-ZETCQYMHSA-N	-1	0	293.201	0.265	20	30		CCEDRM
N#Cc1ccc([N-]S(=O)(=O)c2c[nH]cn2)c(C#N)c1	ZINC001187772375	844754264	/nfs/dbraw/zinc/75/42/64/844754264.db2.gz	XBLDRDPAXFOOHD-UHFFFAOYSA-N	-1	0	273.277	0.954	20	30		CCEDRM
N#Cc1c[n-]c(=O)n(Cc2cn(-c3ccccc3)nn2)c1=O	ZINC001189575015	845173029	/nfs/dbraw/zinc/17/30/29/845173029.db2.gz	QWAHBPJMPYNIGM-UHFFFAOYSA-N	-1	0	294.274	0.037	20	30		CCEDRM
CN(CC#N)C(=O)c1ccccc1S(=O)(=O)[O-]	ZINC001189689894	845193208	/nfs/dbraw/zinc/19/32/08/845193208.db2.gz	OEFITFFHQYVWDC-UHFFFAOYSA-N	-1	0	254.267	0.529	20	30		CCEDRM
N#Cc1cccc(C(=O)N[C@H]2SC(=O)[N-]C2=O)c1F	ZINC001190557778	845427785	/nfs/dbraw/zinc/42/77/85/845427785.db2.gz	WIKNTXRNVHVLBR-JTQLQIEISA-N	-1	0	279.252	0.736	20	30		CCEDRM
C#CCNC(=O)c1cnc(-c2ccccn2)nc1O	ZINC001190632127	845450275	/nfs/dbraw/zinc/45/02/75/845450275.db2.gz	GAMJPARCCWJCHJ-UHFFFAOYSA-N	-1	0	254.249	0.607	20	30		CCEDRM
N#Cc1cc([N-]S(=O)(=O)c2ncc[nH]2)ccc1O	ZINC001190728258	845479956	/nfs/dbraw/zinc/47/99/56/845479956.db2.gz	LGEDEFXRXXXLMN-UHFFFAOYSA-N	-1	0	264.266	0.788	20	30		CCEDRM
N#Cc1cc(O)ccc1[N-]S(=O)(=O)c1ncc[nH]1	ZINC001190731676	845481414	/nfs/dbraw/zinc/48/14/14/845481414.db2.gz	RKFZTXRUYVDJST-UHFFFAOYSA-N	-1	0	264.266	0.788	20	30		CCEDRM
C=CCCCC(=O)N1CC[C@@H](N(C)Cc2n[nH]c(=O)[n-]2)C1	ZINC001192092631	845782376	/nfs/dbraw/zinc/78/23/76/845782376.db2.gz	BFZJOUJIMQROLO-LLVKDONJSA-N	-1	0	293.371	0.899	20	30		CCEDRM
N=C(c1nonc1N)N(O)C(=O)c1cc(O)cc(F)c1F	ZINC001192651805	845884520	/nfs/dbraw/zinc/88/45/20/845884520.db2.gz	NMEQAEZRQMVUOG-UHFFFAOYSA-N	-1	0	299.193	0.493	20	30		CCEDRM
N#C[C@@H]1CNCCN1C(=O)c1ccc([O-])c(F)c1F	ZINC001192833554	845917766	/nfs/dbraw/zinc/91/77/66/845917766.db2.gz	XJAJKEWQCQPJPK-SSDOTTSWSA-N	-1	0	267.235	0.608	20	30		CCEDRM
N=C(c1nonc1N)N(O)C(=O)c1cc(F)c([O-])cc1F	ZINC001192852888	845923414	/nfs/dbraw/zinc/92/34/14/845923414.db2.gz	MVVJNFNCUDJDID-UHFFFAOYSA-N	-1	0	299.193	0.493	20	30		CCEDRM
N#CCS(=O)(=O)[N-]c1cnc(OCC2CCC2)nc1	ZINC001192950646	845933188	/nfs/dbraw/zinc/93/31/88/845933188.db2.gz	AQQPJUGQRZMWSE-UHFFFAOYSA-N	-1	0	282.325	0.921	20	30		CCEDRM
COC(=O)c1ccc([N-]S(=O)(=O)CC#N)cc1O	ZINC001192979090	845961557	/nfs/dbraw/zinc/96/15/57/845961557.db2.gz	XRJINNVYDMGGIL-UHFFFAOYSA-N	-1	0	270.266	0.444	20	30		CCEDRM
CC(=O)c1cccnc1[N-]S(=O)(=O)[C@@H](C)C#N	ZINC001193105255	845978215	/nfs/dbraw/zinc/97/82/15/845978215.db2.gz	TUMHUVUDZBSIHD-ZETCQYMHSA-N	-1	0	253.283	0.938	20	30		CCEDRM
Cc1cc(C)c(C(N)=O)c([N-]S(=O)(=O)[C@@H](C)C#N)n1	ZINC001193105260	845979311	/nfs/dbraw/zinc/97/93/11/845979311.db2.gz	TZZWWVGTERLQES-QMMMGPOBSA-N	-1	0	282.325	0.451	20	30		CCEDRM
C[C@@H](C#N)S(=O)(=O)[N-]c1cncc(N2CCOCC2)c1	ZINC001193111457	845981190	/nfs/dbraw/zinc/98/11/90/845981190.db2.gz	HYSOTHGDLCLZSO-JTQLQIEISA-N	-1	0	296.352	0.572	20	30		CCEDRM
Cc1c([N-]S(=O)(=O)[C@H](C)C#N)cnn1[C@H]1CCOC1	ZINC001193112345	845981564	/nfs/dbraw/zinc/98/15/64/845981564.db2.gz	RGYLERUJDQOOOL-SCZZXKLOSA-N	-1	0	284.341	0.807	20	30		CCEDRM
C[C@H](C#N)S(=O)(=O)[N-]c1cnn2c1OCC(C)(C)C2	ZINC001193112963	845982633	/nfs/dbraw/zinc/98/26/33/845982633.db2.gz	WYOPGFVEDMJWHF-MRVPVSSYSA-N	-1	0	284.341	0.955	20	30		CCEDRM
COC(=O)[C@@H]([N-]S(=O)(=O)[C@H](C)C#N)c1ccccn1	ZINC001193168862	846012145	/nfs/dbraw/zinc/01/21/45/846012145.db2.gz	MWSXCLZQEHCYAK-SCZZXKLOSA-N	-1	0	283.309	0.127	20	30		CCEDRM
Cn1ncc([N-]S(=O)(=O)C[C@H]2CCCO2)c1C#N	ZINC001193212416	846021739	/nfs/dbraw/zinc/02/17/39/846021739.db2.gz	CCTMTTGMZQGAEP-MRVPVSSYSA-N	-1	0	270.314	0.212	20	30		CCEDRM
C=CCOC[C@@H](CS(=O)(=O)[O-])OCCCC#N	ZINC001205632733	846095374	/nfs/dbraw/zinc/09/53/74/846095374.db2.gz	YADTVCSMOXQYLD-JTQLQIEISA-N	-1	0	263.315	0.766	20	30		CCEDRM
N#Cc1cc(C(=O)N2CCCNC(=O)C2)ccc1[O-]	ZINC001193505323	846102002	/nfs/dbraw/zinc/10/20/02/846102002.db2.gz	FBGWBOHVPZOPTB-UHFFFAOYSA-N	-1	0	259.265	0.226	20	30		CCEDRM
N#Cc1cccc(C(=O)N2CCCNC(=O)C2)c1[O-]	ZINC001193642605	846135629	/nfs/dbraw/zinc/13/56/29/846135629.db2.gz	JZFMMCJNWRJIOD-UHFFFAOYSA-N	-1	0	259.265	0.226	20	30		CCEDRM
Cc1[nH][nH]c(=O)c1CCNC(=O)c1cccc(C#N)c1[O-]	ZINC001193658027	846139535	/nfs/dbraw/zinc/13/95/35/846139535.db2.gz	QEWSMVBZKZJPFU-UHFFFAOYSA-N	-1	0	286.291	0.974	20	30		CCEDRM
CCOC(=O)[C@H](C#N)NC(=O)c1cccc(C#N)c1[O-]	ZINC001193657850	846139879	/nfs/dbraw/zinc/13/98/79/846139879.db2.gz	IUIZSJZHYMIJAZ-JTQLQIEISA-N	-1	0	273.248	0.449	20	30		CCEDRM
COc1ccc(S(=O)(=O)[N-]c2cnc(C#N)nc2)cn1	ZINC001195684869	846598204	/nfs/dbraw/zinc/59/82/04/846598204.db2.gz	QVNXILYMAYJJRG-UHFFFAOYSA-N	-1	0	291.292	0.553	20	30		CCEDRM
N#Cc1ccc(C(=O)NC[C@@H]2CNC(=O)C2)c([O-])c1	ZINC001195764949	846613100	/nfs/dbraw/zinc/61/31/00/846613100.db2.gz	UPHHXOXNTUPVMQ-VIFPVBQESA-N	-1	0	259.265	0.130	20	30		CCEDRM
COC(=O)[C@]1(F)CCN(C(=O)c2ccc(C#N)cc2[O-])C1	ZINC001195741795	846619349	/nfs/dbraw/zinc/61/93/49/846619349.db2.gz	ZSKNYNZQDXOAFG-AWEZNQCLSA-N	-1	0	292.266	0.991	20	30		CCEDRM
CCOC(=O)CS(=O)(=O)[N-]c1cccnc1C#N	ZINC001195938742	846643917	/nfs/dbraw/zinc/64/39/17/846643917.db2.gz	ABILOOWQBDAPQD-UHFFFAOYSA-N	-1	0	269.282	0.258	20	30		CCEDRM
COC(=O)CNC(=S)Nc1c(O)cccc1C#N	ZINC001197194125	846868624	/nfs/dbraw/zinc/86/86/24/846868624.db2.gz	GZQWJJSLUINGDE-UHFFFAOYSA-N	-1	0	265.294	0.723	20	30		CCEDRM
Cn1ncc(C#N)c1[N-]S(=O)(=O)Cc1ccccn1	ZINC001197784148	846964675	/nfs/dbraw/zinc/96/46/75/846964675.db2.gz	SADARJDYKREFJT-UHFFFAOYSA-N	-1	0	277.309	0.629	20	30		CCEDRM
C=CC[C@H](NC(=O)NCCn1cccn1)C(=O)[O-]	ZINC000161737811	847817205	/nfs/dbraw/zinc/81/72/05/847817205.db2.gz	YVPOZJHPOUJVEH-VIFPVBQESA-N	-1	0	252.274	0.212	20	30		CCEDRM
C#CC[C@@H](CO)NC(=O)[C@@H]1CCCC[C@@H]1C(=O)[O-]	ZINC000717719032	848286742	/nfs/dbraw/zinc/28/67/42/848286742.db2.gz	IGLVZSIFJXQYAY-AXFHLTTASA-N	-1	0	253.298	0.378	20	30		CCEDRM
CC(C)C#CC(=O)NC[C@@H](C)N(C)Cc1n[nH]c(=O)[n-]1	ZINC001275817788	848834456	/nfs/dbraw/zinc/83/44/56/848834456.db2.gz	DTVIORYXBMZHFM-SNVBAGLBSA-N	-1	0	279.344	0.106	20	30		CCEDRM
C#CCN(C(C)C)S(=O)(=O)c1c[nH]c(C(=O)[O-])c1	ZINC000688850696	849198068	/nfs/dbraw/zinc/19/80/68/849198068.db2.gz	VXHIUSVRZIEAGG-UHFFFAOYSA-N	-1	0	270.310	0.745	20	30		CCEDRM
C=CCCCC(=O)N[C@@H]1[C@H]2CN(Cc3n[nH]c(=O)[n-]3)C[C@H]21	ZINC001114756286	849389505	/nfs/dbraw/zinc/38/95/05/849389505.db2.gz	YQLRDPFXOCYDOA-IWIIMEHWSA-N	-1	0	291.355	0.413	20	30		CCEDRM
Cc1n[nH]c(C(=O)N[C@H]2C[C@H]3C[C@@H](C2)N(CC#N)C3)c1[O-]	ZINC001047054486	851663203	/nfs/dbraw/zinc/66/32/03/851663203.db2.gz	RBSSLHOEUDPWGB-DCAQKATOSA-N	-1	0	289.339	0.530	20	30		CCEDRM
N#Cc1cnccc1N1CCC[C@H](NC(=O)c2cn[nH]n2)C1	ZINC001058268705	853807563	/nfs/dbraw/zinc/80/75/63/853807563.db2.gz	TVLMNDDDBVWCHA-NSHDSACASA-N	-1	0	297.322	0.470	20	30		CCEDRM
C#CC[C@@H](NC(=O)[C@@H](C)NC(=O)c1ccccc1)C(=O)[O-]	ZINC000149555567	853986340	/nfs/dbraw/zinc/98/63/40/853986340.db2.gz	RYFAYGUCIYJMOW-ZYHUDNBSSA-N	-1	0	288.303	0.398	20	30		CCEDRM
C#CC[C@@H](NC(=O)c1cccc(N(C)C)c1)C(=O)[O-]	ZINC000149552081	853986984	/nfs/dbraw/zinc/98/69/84/853986984.db2.gz	RASLEZVXGBYNRY-GFCCVEGCSA-N	-1	0	260.293	0.959	20	30		CCEDRM
C#CC[C@H](NC(=O)c1cc(OC)ccc1OC)C(=O)[O-]	ZINC000149589304	853988121	/nfs/dbraw/zinc/98/81/21/853988121.db2.gz	HPRFISRJDBQZRQ-NSHDSACASA-N	-1	0	277.276	0.910	20	30		CCEDRM
C#CC[C@H](NC(=O)CC[C@@H]1CCCCO1)C(=O)[O-]	ZINC000149715717	853995189	/nfs/dbraw/zinc/99/51/89/853995189.db2.gz	ZGQGUZUCRLEKSV-QWRGUYRKSA-N	-1	0	253.298	0.928	20	30		CCEDRM
C#CC[C@@H](NC(=O)c1ccc2c(c1)OCCO2)C(=O)[O-]	ZINC000149881304	854006330	/nfs/dbraw/zinc/00/63/30/854006330.db2.gz	UWJQDERKIWYGJJ-SNVBAGLBSA-N	-1	0	275.260	0.664	20	30		CCEDRM
C=CC[C@H](NC(=O)C1(n2cnnn2)CCCCC1)C(=O)[O-]	ZINC001118245695	856223439	/nfs/dbraw/zinc/22/34/39/856223439.db2.gz	HBEAPBYNTXGDEW-JTQLQIEISA-N	-1	0	293.327	0.478	20	30		CCEDRM
N#Cc1cncnc1N1CCc2c(nc[nH]c2=O)C1	ZINC001118386358	856285888	/nfs/dbraw/zinc/28/58/88/856285888.db2.gz	BWTFNDXRDYSQEY-UHFFFAOYSA-N	-1	0	254.253	0.407	20	30		CCEDRM
N#CCCCCNC(=O)C(=O)Nc1cccnc1C(=O)[O-]	ZINC001118543111	856333638	/nfs/dbraw/zinc/33/36/38/856333638.db2.gz	WNHJBRDJXULMRZ-UHFFFAOYSA-N	-1	0	290.279	0.528	20	30		CCEDRM
C=CCO[C@H]1CCN(C(=O)C2CC(C(=O)[O-])C2)C1	ZINC001119071132	856549720	/nfs/dbraw/zinc/54/97/20/856549720.db2.gz	WQMRDIZOAYSGND-ILDUYXDCSA-N	-1	0	253.298	0.901	20	30		CCEDRM
C=CCOC[C@H](NC(=O)C[N@@H+](CC)C1CC1)C(=O)[O-]	ZINC001119580701	856752956	/nfs/dbraw/zinc/75/29/56/856752956.db2.gz	PHOOXRISOXRLOA-NSHDSACASA-N	-1	0	270.329	0.243	20	30		CCEDRM
C#CCO[C@@H](C)C(=O)N[C@H]1CCOC2(CC(C(=O)[O-])C2)C1	ZINC001119649599	856813563	/nfs/dbraw/zinc/81/35/63/856813563.db2.gz	RJSQJCGTIDDAQF-BVWOZKJXSA-N	-1	0	295.335	0.553	20	30		CCEDRM
C=CC[C@H](NC(=O)c1ccc2nnc(C)n2c1)C(=O)[O-]	ZINC001327013180	914312814	/nfs/dbraw/zinc/31/28/14/914312814.db2.gz	IHCYDJQFVQSHPU-JTQLQIEISA-N	-1	0	274.280	0.797	20	30		CCEDRM
C[C@@H](C#N)S(=O)(=O)[N-]c1ccn2cnnc2c1	ZINC001193106580	900031622	/nfs/dbraw/zinc/03/16/22/900031622.db2.gz	HFNGYBGNCNZHPR-ZETCQYMHSA-N	-1	0	251.271	0.383	20	30		CCEDRM
CC[C@H]1CCN(C(=O)Cn2cc(C#N)c(=O)[n-]c2=O)[C@@H]1C	ZINC001412039037	901422539	/nfs/dbraw/zinc/42/25/39/901422539.db2.gz	ATJIRIQPSBQLGU-ZJUUUORDSA-N	-1	0	290.323	0.468	20	30		CCEDRM
N#CC[C@H](CC(=O)Nn1c(=O)[n-][nH]c1=O)c1ccccc1	ZINC001412180769	901530760	/nfs/dbraw/zinc/53/07/60/901530760.db2.gz	MCPMWLSHXWHOCA-SNVBAGLBSA-N	-1	0	287.279	0.847	20	30		CCEDRM
N#Cc1nc(NC(=O)C2(C#N)CCOCC2)[n-]c1C#N	ZINC001412292709	901624564	/nfs/dbraw/zinc/62/45/64/901624564.db2.gz	OOZBNQHSQYGKRZ-UHFFFAOYSA-N	-1	0	270.252	0.412	20	30		CCEDRM
N#Cc1nc(NC(=O)[C@H]2Cc3cccnc3C2)[n-]c1C#N	ZINC001412294489	901624858	/nfs/dbraw/zinc/62/48/58/901624858.db2.gz	UNEUBIPOSQPPEB-VIFPVBQESA-N	-1	0	278.275	0.902	20	30		CCEDRM
CCC(CC)(NC(=O)c1[n-]c(=O)c(C#N)cc1C)C(N)=O	ZINC001412473118	901749705	/nfs/dbraw/zinc/74/97/05/901749705.db2.gz	UARGZRDLAZYHFQ-UHFFFAOYSA-N	-1	0	290.323	0.741	20	30		CCEDRM
C=CC[C@@H](NC(=O)c1ccn(CCOC)n1)C(=O)[O-]	ZINC001327495202	914573246	/nfs/dbraw/zinc/57/32/46/914573246.db2.gz	GVCPSOIKZUYECP-SNVBAGLBSA-N	-1	0	267.285	0.289	20	30		CCEDRM
CC(C)(C#N)CNC(=O)c1cccc(-n2[n-]nnc2=N)c1	ZINC001412806450	902138377	/nfs/dbraw/zinc/13/83/77/902138377.db2.gz	OFTJRIHQFJMNOY-UHFFFAOYSA-N	-1	0	285.311	0.354	20	30		CCEDRM
CN(Cc1n[n-]c(=O)o1)C(=O)Cc1ccc(C#N)cc1	ZINC001412858436	902306221	/nfs/dbraw/zinc/30/62/21/902306221.db2.gz	IAMQJEWOSKIRHQ-UHFFFAOYSA-N	-1	0	272.264	0.848	20	30		CCEDRM
C[C@@H]1C[C@H](C)CCN(c2[n-]c(=O)n(C)c(=O)c2C#N)C1	ZINC001412917453	902357298	/nfs/dbraw/zinc/35/72/98/902357298.db2.gz	LFRBFVSACHAYHK-NXEZZACHSA-N	-1	0	276.340	0.818	20	30		CCEDRM
Cc1ccc(NC(=O)Cn2c(=O)[n-]cc(C#N)c2=O)cc1C	ZINC001412921065	902359048	/nfs/dbraw/zinc/35/90/48/902359048.db2.gz	HIXGRDHRMZPOPH-UHFFFAOYSA-N	-1	0	298.302	0.664	20	30		CCEDRM
COc1ccnc(OC)c1C(=O)Nc1nc(C#N)c(C#N)[n-]1	ZINC001413197366	902777683	/nfs/dbraw/zinc/77/76/83/902777683.db2.gz	WEAVVWKYDMLUKM-UHFFFAOYSA-N	-1	0	298.262	0.818	20	30		CCEDRM
Cc1ccc(S(=O)(=O)[N-]N2CCCNC2=O)c(C#N)c1	ZINC001413315924	902865980	/nfs/dbraw/zinc/86/59/80/902865980.db2.gz	GSNATLNUGSJZPV-UHFFFAOYSA-N	-1	0	294.336	0.475	20	30		CCEDRM
Cc1cc(C#N)c(=O)[n-]c1C(=O)NC1CC(CC(N)=O)C1	ZINC001413542235	903026860	/nfs/dbraw/zinc/02/68/60/903026860.db2.gz	JIYWCVLWUBYWCS-UHFFFAOYSA-N	-1	0	288.307	0.351	20	30		CCEDRM
Cc1cc(C#N)c(=O)[n-]c1C(=O)NC[C@@H](O)c1c[nH]cn1	ZINC001413566003	903056726	/nfs/dbraw/zinc/05/67/26/903056726.db2.gz	VCBMDLGYKADCMF-SNVBAGLBSA-N	-1	0	287.279	0.154	20	30		CCEDRM
CCC[C@H](NS(=O)(=O)CC(C)(C)C#N)C(=O)[O-]	ZINC001596022969	983285726	/nfs/dbraw/zinc/28/57/26/983285726.db2.gz	WFXUBRPNGAUPEU-QMMMGPOBSA-N	-1	0	262.331	0.709	20	30		CCEDRM
C[C@@H]1OCC[C@H]1Sc1[n-]c(=O)n(C)c(=O)c1C#N	ZINC001337091585	921183125	/nfs/dbraw/zinc/18/31/25/921183125.db2.gz	DSJWCSATGJFQPB-POYBYMJQSA-N	-1	0	267.310	0.215	20	30		CCEDRM
C#CC1(Nc2[n-]c(=O)n(C)c(=O)c2C#N)CCCC1	ZINC001337252187	921224991	/nfs/dbraw/zinc/22/49/91/921224991.db2.gz	FYLQQZGPPFZZRW-UHFFFAOYSA-N	-1	0	258.281	0.303	20	30		CCEDRM
C=CCO[N-]C(=O)CNC(=O)c1cccc([N+](=O)[O-])c1	ZINC001297985779	907135512	/nfs/dbraw/zinc/13/55/12/907135512.db2.gz	YXBDOJAXAULYAJ-UHFFFAOYSA-N	-1	0	279.252	0.558	20	30		CCEDRM
C=C[C@@H]1OCC[C@H]1C(=O)N1CC[C@@H](c2nnn[n-]2)C1	ZINC001302935995	908050770	/nfs/dbraw/zinc/05/07/70/908050770.db2.gz	GLKOUEPCBZUVCW-BBBLOLIVSA-N	-1	0	263.301	0.107	20	30		CCEDRM
CN(Cc1nc(=O)o[n-]1)c1ccc(C#N)cc1[N+](=O)[O-]	ZINC001307151527	908288953	/nfs/dbraw/zinc/28/89/53/908288953.db2.gz	XKROQDABDMXMHS-UHFFFAOYSA-N	-1	0	275.224	0.779	20	30		CCEDRM
C#Cc1cccc(CNC(=O)NCC(=O)[N-]OC)c1	ZINC001312863332	908638639	/nfs/dbraw/zinc/63/86/39/908638639.db2.gz	TVGZBAANIFSTAM-UHFFFAOYSA-N	-1	0	261.281	0.145	20	30		CCEDRM
C=CCCO[C@H](C)C(=O)[N-]S(=O)(=O)C(F)F	ZINC001320299409	910591423	/nfs/dbraw/zinc/59/14/23/910591423.db2.gz	QBQODDLDBJSICV-ZCFIWIBFSA-N	-1	0	257.258	0.636	20	30		CCEDRM
C=CC[C@H](NC(=O)[C@H](OCC)[C@H]1CCOC1)C(=O)[O-]	ZINC001329655126	916103283	/nfs/dbraw/zinc/10/32/83/916103283.db2.gz	CHFOANQIGBHREI-GARJFASQSA-N	-1	0	271.313	0.574	20	30		CCEDRM
C#CCNC(=O)c1ccc(C[N-]C(=O)C(F)(F)F)o1	ZINC001329721108	916146863	/nfs/dbraw/zinc/14/68/63/916146863.db2.gz	ALJAFBYDXQNHFD-UHFFFAOYSA-N	-1	0	274.198	0.821	20	30		CCEDRM
N#CCCN1CCN(c2ncccc2C(=O)[O-])CC1	ZINC001329743500	916161674	/nfs/dbraw/zinc/16/16/74/916161674.db2.gz	QYQWNMHNMMEPQS-UHFFFAOYSA-N	-1	0	260.297	0.815	20	30		CCEDRM
CC(C)(C)S(=O)(=O)[N-]C(=O)c1cccc(C#N)n1	ZINC001330414588	916618198	/nfs/dbraw/zinc/61/81/98/916618198.db2.gz	LJJYCRFTGJXNPS-UHFFFAOYSA-N	-1	0	267.310	0.811	20	30		CCEDRM
CN(CC#N)C(=O)c1ccc([N-]S(C)(=O)=O)nc1	ZINC001331340170	917273129	/nfs/dbraw/zinc/27/31/29/917273129.db2.gz	OWBUWVGHSCSXOS-UHFFFAOYSA-N	-1	0	268.298	0.049	20	30		CCEDRM
C#CC[C@@H](COC)NC(=O)C(=O)[N-]OCCC(F)(F)F	ZINC001331529387	917397117	/nfs/dbraw/zinc/39/71/17/917397117.db2.gz	UAXRILCVJREQHM-QMMMGPOBSA-N	-1	0	296.245	0.141	20	30		CCEDRM
C=CC[C@H](NC(=O)c1ccnc2c1nnn2C)C(=O)[O-]	ZINC001331897740	917699853	/nfs/dbraw/zinc/69/98/53/917699853.db2.gz	ZFTWTHOGZKGNDX-QMMMGPOBSA-N	-1	0	275.268	0.122	20	30		CCEDRM
C=CC[C@H](NC(=O)[C@H]1CCc2nnn(C)c2C1)C(=O)[O-]	ZINC001332136360	917894901	/nfs/dbraw/zinc/89/49/01/917894901.db2.gz	NZRAOWGXWAGFPO-WPRPVWTQSA-N	-1	0	278.312	0.066	20	30		CCEDRM
N#Cc1nc(NC(=O)CC2OCCCO2)[n-]c1C#N	ZINC001332140716	917898938	/nfs/dbraw/zinc/89/89/38/917898938.db2.gz	DQEPWFVACMOYRL-UHFFFAOYSA-N	-1	0	261.241	0.245	20	30		CCEDRM
C=CC[C@H](NC(=O)c1cnn(C)c1CC)C(=O)[O-]	ZINC001332590290	918294094	/nfs/dbraw/zinc/29/40/94/918294094.db2.gz	CRHUBMXZCMSSON-VIFPVBQESA-N	-1	0	251.286	0.742	20	30		CCEDRM
C=CC[C@@H](NC(=O)Cc1ccc(OC)cn1)C(=O)[O-]	ZINC001332613339	918310988	/nfs/dbraw/zinc/31/09/88/918310988.db2.gz	FPRRDWJAGUITCA-LLVKDONJSA-N	-1	0	264.281	0.778	20	30		CCEDRM
C=CC[C@@H](NC(=O)[C@@H]1CCc2nccn2C1)C(=O)[O-]	ZINC001332613864	918311499	/nfs/dbraw/zinc/31/14/99/918311499.db2.gz	OMXYVMNXGIEJJE-NXEZZACHSA-N	-1	0	263.297	0.591	20	30		CCEDRM
C=CCCC(=O)NCC1=CCN(Cc2n[nH]c(=O)[n-]2)CC1	ZINC001333304776	918789944	/nfs/dbraw/zinc/78/99/44/918789944.db2.gz	QAYRMCGSVBAUPA-UHFFFAOYSA-N	-1	0	291.355	0.725	20	30		CCEDRM
O=C([O-])C1(NC(=O)NCC#Cc2ccccc2)CC1	ZINC001334949671	919860301	/nfs/dbraw/zinc/86/03/01/919860301.db2.gz	WAZZKOJOWFAOGW-UHFFFAOYSA-N	-1	0	258.277	0.955	20	30		CCEDRM
CN(c1[n-]c(=O)n(C)c(=O)c1C#N)C1CCCCC1	ZINC001336440282	920774733	/nfs/dbraw/zinc/77/47/33/920774733.db2.gz	YVHKIKZNNISXME-UHFFFAOYSA-N	-1	0	262.313	0.714	20	30		CCEDRM
Cn1c(=O)[n-]c(N2CC(C)(C)C2(C)C)c(C#N)c1=O	ZINC001336535782	920820706	/nfs/dbraw/zinc/82/07/06/920820706.db2.gz	UMROEEXPZGOWLQ-UHFFFAOYSA-N	-1	0	262.313	0.570	20	30		CCEDRM
Cn1c(=O)[n-]c(N2CCC3(CCC3)C2)c(C#N)c1=O	ZINC001336542522	920823534	/nfs/dbraw/zinc/82/35/34/920823534.db2.gz	HDNPNGZIGFQVHK-UHFFFAOYSA-N	-1	0	260.297	0.326	20	30		CCEDRM
Cn1c(=O)[n-]c(N[C@@H]2CCC[C@@H](F)C2)c(C#N)c1=O	ZINC001336659842	920908113	/nfs/dbraw/zinc/90/81/13/920908113.db2.gz	FTXNZUMJOAFEJQ-HTQZYQBOSA-N	-1	0	266.276	0.638	20	30		CCEDRM
CC/C=C(\F)C(=O)N1CC(n2cc(C#N)c(=O)[n-]c2=O)C1	ZINC001336814423	921035010	/nfs/dbraw/zinc/03/50/10/921035010.db2.gz	VAHCTUVNUZKOTP-KMKOMSMNSA-N	-1	0	292.270	0.467	20	30		CCEDRM
Cc1ncc(C([O-])=C(C#N)C(=O)NC2CC2)c(C)n1	ZINC001341803430	922682312	/nfs/dbraw/zinc/68/23/12/922682312.db2.gz	XMWCAUIHADEXQF-JTQLQIEISA-N	-1	0	258.281	0.695	20	30		CCEDRM
C=CCNC(=O)C(C#N)=C([O-])c1c(C)nn2cccnc12	ZINC001341867072	922705848	/nfs/dbraw/zinc/70/58/48/922705848.db2.gz	BOUVKDIMPOQAHD-SNVBAGLBSA-N	-1	0	283.291	0.662	20	30		CCEDRM
N#Cc1ccc(S(=O)(=O)[N-]N=c2nccc[nH]2)o1	ZINC001342866805	923116796	/nfs/dbraw/zinc/11/67/96/923116796.db2.gz	XFQXTUVAIYYBAB-UHFFFAOYSA-N	-1	0	265.254	0.247	20	30		CCEDRM
N#CC(C(=O)NC1CC1)=C([O-])c1cc2cccn2cn1	ZINC001343590267	923383944	/nfs/dbraw/zinc/38/39/44/923383944.db2.gz	MWFPNNXSFLZXLO-LLVKDONJSA-N	-1	0	268.276	0.935	20	30		CCEDRM
CNC(=O)C(C#N)=C([O-])c1cccc(N2CCNC2=O)c1	ZINC001343990439	923521719	/nfs/dbraw/zinc/52/17/19/923521719.db2.gz	JTHZWJBKCPMTSB-NSHDSACASA-N	-1	0	286.291	0.285	20	30		CCEDRM
CCO[C@@H]1CCC[C@H]1Nc1[n-]c(=O)n(C)c(=O)c1C#N	ZINC001421151505	924179919	/nfs/dbraw/zinc/17/99/19/924179919.db2.gz	DOCOGKLOIMQDQV-NXEZZACHSA-N	-1	0	278.312	0.315	20	30		CCEDRM
C#Cc1ccc(C(=O)N2CCC[C@@H](Cc3nnn[n-]3)C2)cn1	ZINC001347304734	924418255	/nfs/dbraw/zinc/41/82/55/924418255.db2.gz	FKAARAPYKNFQPE-NSHDSACASA-N	-1	0	296.334	0.671	20	30		CCEDRM
COCCn1cc(C([O-])=C(C#N)c2cccc(F)n2)nn1	ZINC001347576245	924484348	/nfs/dbraw/zinc/48/43/48/924484348.db2.gz	VOKDAEVVOIKVLR-SECBINFHSA-N	-1	0	289.270	0.949	20	30		CCEDRM
C#C[C@@H]1CCCN(c2nnc(-c3nn[nH]n3)n2CC2CC2)C1	ZINC001347789518	924537001	/nfs/dbraw/zinc/53/70/01/924537001.db2.gz	ZGMJBYWVQZKSGL-SNVBAGLBSA-N	-1	0	298.354	0.718	20	30		CCEDRM
CC[C@H]1[C@H](C)CCN1c1[n-]c(=O)n(C)c(=O)c1C#N	ZINC001348096871	924594967	/nfs/dbraw/zinc/59/49/67/924594967.db2.gz	HWMSTVAUQZWOKE-SCZZXKLOSA-N	-1	0	262.313	0.570	20	30		CCEDRM
CC#CCS(=O)(=O)[N-]C(=O)c1cnn(CC)c1C1CC1	ZINC001350252123	925156090	/nfs/dbraw/zinc/15/60/90/925156090.db2.gz	NQZRPUQIUMFGGU-UHFFFAOYSA-N	-1	0	295.364	0.863	20	30		CCEDRM
C=CC[C@H](NC(=O)c1noc2c1COCC2)C(=O)[O-]	ZINC001351285302	925396180	/nfs/dbraw/zinc/39/61/80/925396180.db2.gz	VTYZRKIQTQIQAD-QMMMGPOBSA-N	-1	0	266.253	0.506	20	30		CCEDRM
Cn1c(=O)[n-]c(NCc2nccnc2Cl)c(C#N)c1=O	ZINC001413887566	925996790	/nfs/dbraw/zinc/99/67/90/925996790.db2.gz	GNIOFSMNFIGLRH-UHFFFAOYSA-N	-1	0	292.686	0.001	20	30		CCEDRM
C=CCn1c(-c2cc(=O)[nH][n-]2)nnc1N(CC)C(C)C	ZINC001356037791	926337813	/nfs/dbraw/zinc/33/78/13/926337813.db2.gz	DRLURKHYLBOKHE-UHFFFAOYSA-N	-1	0	276.344	0.923	20	30		CCEDRM
C=CCNC(=O)C(C#N)=C([O-])c1cc(OC)n(C)n1	ZINC001356059257	926340686	/nfs/dbraw/zinc/34/06/86/926340686.db2.gz	KTWUSALERMABCW-MRVPVSSYSA-N	-1	0	262.269	0.053	20	30		CCEDRM
N#Cc1c[n-]c(=O)n(CC(=O)c2ccc(F)cc2F)c1=O	ZINC001413928459	926925452	/nfs/dbraw/zinc/92/54/52/926925452.db2.gz	HIZZTHWHXYJWLD-UHFFFAOYSA-N	-1	0	291.213	0.569	20	30		CCEDRM
C=CC[C@@H](NC(=O)[C@@H](C)NC(=O)c1ccccc1)C(=O)[O-]	ZINC000150002926	926943745	/nfs/dbraw/zinc/94/37/45/926943745.db2.gz	CRLIVCFGRKEECF-ZYHUDNBSSA-N	-1	0	290.319	0.950	20	30		CCEDRM
C=CC[C@H](NC(=O)c1cccc(C(N)=O)c1)C(=O)[O-]	ZINC000150056421	926947054	/nfs/dbraw/zinc/94/70/54/926947054.db2.gz	IIFBFPKTISSSBH-JTQLQIEISA-N	-1	0	262.265	0.545	20	30		CCEDRM
C=CC[C@@H](NC(=O)c1n[nH]c(=O)c2ccccc21)C(=O)[O-]	ZINC000150205440	926947829	/nfs/dbraw/zinc/94/78/29/926947829.db2.gz	WHDKBDXABJFXBN-SNVBAGLBSA-N	-1	0	287.275	0.682	20	30		CCEDRM
C=CC[C@@H](NC(=O)c1cnn(C)c1-n1cccc1)C(=O)[O-]	ZINC000150302473	926949218	/nfs/dbraw/zinc/94/92/18/926949218.db2.gz	FIQQUHIAQJBLJV-LLVKDONJSA-N	-1	0	288.307	0.970	20	30		CCEDRM
CC[C@H](C#N)N(C)C(=O)c1ccc([N-]S(C)(=O)=O)nc1	ZINC001361644146	927216935	/nfs/dbraw/zinc/21/69/35/927216935.db2.gz	MOENIBKYMGAWQJ-SNVBAGLBSA-N	-1	0	296.352	0.827	20	30		CCEDRM
CCN(C(=O)Cn1cc(C#N)c(=O)[n-]c1=O)c1ccccc1	ZINC001361797329	927338510	/nfs/dbraw/zinc/33/85/10/927338510.db2.gz	ZEFZIZDOFHZTQA-UHFFFAOYSA-N	-1	0	298.302	0.874	20	30		CCEDRM
N#CCCN(Cc1ccccn1)C(=O)CCc1nnn[n-]1	ZINC001361936487	927461571	/nfs/dbraw/zinc/46/15/71/927461571.db2.gz	ZYPSAMPNCBEVOU-UHFFFAOYSA-N	-1	0	285.311	0.470	20	30		CCEDRM
Cc1cc(C#N)c(=O)[n-]c1C(=O)N[C@H](C)CC[S@@](C)=O	ZINC001361954150	927475702	/nfs/dbraw/zinc/47/57/02/927475702.db2.gz	SXDFVJXIIJKHHB-GSDQLPOLSA-N	-1	0	295.364	0.854	20	30		CCEDRM
N#Cc1cn(CCC(=O)NCc2ccoc2)c(=O)[n-]c1=O	ZINC001361973011	927489029	/nfs/dbraw/zinc/48/90/29/927489029.db2.gz	ATSQFQIVIWQGLA-UHFFFAOYSA-N	-1	0	288.263	0.120	20	30		CCEDRM
Cc1cc(C#N)c(=O)[n-]c1C(=O)NC[C@@H]1CCCNC1=O	ZINC001362120983	927633282	/nfs/dbraw/zinc/63/32/82/927633282.db2.gz	BSNCXXGIFGMZDB-VIFPVBQESA-N	-1	0	288.307	0.223	20	30		CCEDRM
COC(=O)[C@@H](C)CN(C)C(=O)c1[n-]c(=O)c(C#N)cc1C	ZINC001362122712	927636077	/nfs/dbraw/zinc/63/60/77/927636077.db2.gz	IUIUSJARDBPBPX-VIFPVBQESA-N	-1	0	291.307	0.848	20	30		CCEDRM
CC(C)C[C@@H](C)NC(=O)CCn1cc(C#N)c(=O)[n-]c1=O	ZINC001362315513	927866266	/nfs/dbraw/zinc/86/62/66/927866266.db2.gz	XYRBXFUYZHMWCS-SNVBAGLBSA-N	-1	0	292.339	0.761	20	30		CCEDRM
CSc1[n-]c(=O)c(C(=O)Nc2cn[nH]n2)cc1C#N	ZINC001362505200	928110118	/nfs/dbraw/zinc/11/01/18/928110118.db2.gz	KTKHZNBRWHLVFP-UHFFFAOYSA-N	-1	0	276.281	0.751	20	30		CCEDRM
CCn1ncc(CNC(=O)c2[n-]c(=O)c(C#N)cc2C)n1	ZINC001362702103	928384205	/nfs/dbraw/zinc/38/42/05/928384205.db2.gz	XDERRLNBSSAOTB-UHFFFAOYSA-N	-1	0	286.295	0.509	20	30		CCEDRM
Cc1cc(C#N)c(=O)[n-]c1C(=O)NC[C@@H]1CC[C@@H](O)C1	ZINC001362787192	928489178	/nfs/dbraw/zinc/48/91/78/928489178.db2.gz	RXGHHCODTJAZIR-MWLCHTKSSA-N	-1	0	275.308	0.858	20	30		CCEDRM
COc1nn(C)cc1C(=O)Nc1nc(C#N)c(C#N)[n-]1	ZINC001362864062	928587722	/nfs/dbraw/zinc/58/77/22/928587722.db2.gz	MCKKJGDYAWUIKT-UHFFFAOYSA-N	-1	0	271.240	0.147	20	30		CCEDRM
CC(C)(CCC#N)CNC(=O)CCCn1c(=O)[n-][nH]c1=O	ZINC001362979271	928720451	/nfs/dbraw/zinc/72/04/51/928720451.db2.gz	MGYMIJNRKDKMEM-UHFFFAOYSA-N	-1	0	295.343	0.916	20	30		CCEDRM
Cc1cc(C#N)c(=O)[n-]c1C(=O)N[C@H]1CCCN(C)C1=O	ZINC001363269181	929052901	/nfs/dbraw/zinc/05/29/01/929052901.db2.gz	FPOBWVLMOUJRTG-JTQLQIEISA-N	-1	0	288.307	0.318	20	30		CCEDRM
CC(C)CN(Cc1nnn[n-]1)C(=O)Cc1ccc(C#N)nc1	ZINC001363275564	929059177	/nfs/dbraw/zinc/05/91/77/929059177.db2.gz	IKUNBPAJDKBEGF-UHFFFAOYSA-N	-1	0	299.338	0.694	20	30		CCEDRM
Cc1onc(CC(=O)NC2(c3nnn[n-]3)CCC2)c1C#N	ZINC001363376355	929161751	/nfs/dbraw/zinc/16/17/51/929161751.db2.gz	SGSOCNRSAFOPSN-UHFFFAOYSA-N	-1	0	287.283	0.106	20	30		CCEDRM
N#Cc1ccnc(C(=O)N2CCC[C@H](Cc3nnn[n-]3)C2)c1	ZINC001363436152	929226564	/nfs/dbraw/zinc/22/65/64/929226564.db2.gz	PQJLQGODWIEOJZ-LLVKDONJSA-N	-1	0	297.322	0.561	20	30		CCEDRM
CC(C)(C)C(=O)NCCC(=O)Nc1nc(C#N)c(C#N)[n-]1	ZINC001363467209	929269524	/nfs/dbraw/zinc/26/95/24/929269524.db2.gz	RNRDLADTEKJTQS-UHFFFAOYSA-N	-1	0	288.311	0.644	20	30		CCEDRM
Cc1cc(C#N)c(=O)[n-]c1C(=O)N1CC[C@@H](O)C(F)(F)C1	ZINC001363478615	929282363	/nfs/dbraw/zinc/28/23/63/929282363.db2.gz	BHFKNSUJELZWFE-SECBINFHSA-N	-1	0	297.261	0.809	20	30		CCEDRM
Cc1cc(C#N)c(=O)[n-]c1C(=O)N[C@H](C(N)=O)C(C)C	ZINC001363666802	929468856	/nfs/dbraw/zinc/46/88/56/929468856.db2.gz	CRLDUODQKQNVER-VIFPVBQESA-N	-1	0	276.296	0.207	20	30		CCEDRM
Cn1c(=O)[n-]c(NCc2ccc(C#N)cc2)c(C#N)c1=O	ZINC001363724634	929523497	/nfs/dbraw/zinc/52/34/97/929523497.db2.gz	BQPJBCIGPWJWDG-UHFFFAOYSA-N	-1	0	281.275	0.429	20	30		CCEDRM
COc1ccccc1CNc1[n-]c(=O)n(C)c(=O)c1C#N	ZINC001363734313	929533021	/nfs/dbraw/zinc/53/30/21/929533021.db2.gz	IYIJEVRTQZMXHQ-UHFFFAOYSA-N	-1	0	286.291	0.566	20	30		CCEDRM
N#Cc1c[n-]c(=O)n(C[C@H]2CCC[C@@]3(CCOC3)O2)c1=O	ZINC001363761222	929551925	/nfs/dbraw/zinc/55/19/25/929551925.db2.gz	NDQLIMQKIVPXBT-RISCZKNCSA-N	-1	0	291.307	0.136	20	30		CCEDRM
C#CCN(CC#C)C(=O)c1[n-]c(=O)c(C#N)cc1C	ZINC001444565325	929898013	/nfs/dbraw/zinc/89/80/13/929898013.db2.gz	ZVTCLHANHUUVKJ-UHFFFAOYSA-N	-1	0	253.261	0.676	20	30		CCEDRM
COc1n[nH]c(NC(=O)c2cccc(C#CCO)c2)n1	ZINC001446194332	930364683	/nfs/dbraw/zinc/36/46/83/930364683.db2.gz	UPAJXPDHVRHADA-UHFFFAOYSA-N	-1	0	272.264	0.409	20	30		CCEDRM
Cc1n[nH]c(C(=O)NC[C@@H](C)N(C)C(=O)[C@H](C)C#N)c1[O-]	ZINC001449874556	931202553	/nfs/dbraw/zinc/20/25/53/931202553.db2.gz	VNIYYUFUVFLFSC-HTQZYQBOSA-N	-1	0	293.327	0.160	20	30		CCEDRM
CN(CCC(=O)[O-])C(=O)C(=O)Nc1cccc(C#N)c1	ZINC001610920772	970792278	/nfs/dbraw/zinc/79/22/78/970792278.db2.gz	ZBHIZNMDDRLLKF-UHFFFAOYSA-N	-1	0	275.264	0.430	20	30		CCEDRM
Cc1cc(C[NH2+][C@@H](CC(=O)[O-])C(=O)[O-])ccc1C#N	ZINC001611140497	970910323	/nfs/dbraw/zinc/91/03/23/970910323.db2.gz	RINPRQAUPJVMEW-NSHDSACASA-N	-1	0	262.265	0.884	20	30		CCEDRM
Cn1nccc1[C@@H](NC(=O)CC(C)(C)C#N)C(=O)[O-]	ZINC001601032597	970911756	/nfs/dbraw/zinc/91/17/56/970911756.db2.gz	DHGUKPWOINHGPS-SNVBAGLBSA-N	-1	0	264.285	0.602	20	30		CCEDRM
Cn1nccc1[C@@H](NC(=O)c1cc(C#N)ccn1)C(=O)[O-]	ZINC001601034209	970916222	/nfs/dbraw/zinc/91/62/22/970916222.db2.gz	MHBITNMTZYAFMT-LLVKDONJSA-N	-1	0	285.263	0.242	20	30		CCEDRM
N#Cc1ccc(CNC(=O)c2cnc(C(=O)[O-])cn2)cc1	ZINC001601101420	970932283	/nfs/dbraw/zinc/93/22/83/970932283.db2.gz	PEUQKATYBIHESE-UHFFFAOYSA-N	-1	0	282.259	0.976	20	30		CCEDRM
N#Cc1cccn(CN2CCC[C@H](CC(=O)[O-])C2)c1=O	ZINC001611299693	970982255	/nfs/dbraw/zinc/98/22/55/970982255.db2.gz	PEBAYTMBQGGGQU-LLVKDONJSA-N	-1	0	275.308	0.864	20	30		CCEDRM
O=C([O-])Cn1cccc1C=NN[C@@H]1CCCS(=O)(=O)C1	ZINC001602166328	971160602	/nfs/dbraw/zinc/16/06/02/971160602.db2.gz	NRARILDYPPJHTJ-SNVBAGLBSA-N	-1	0	299.352	0.073	20	30		CCEDRM
C#CC[C@@H](CCOC)NC(=O)N(C)CCCC(=O)[O-]	ZINC001602674775	971243643	/nfs/dbraw/zinc/24/36/43/971243643.db2.gz	CYRSONDJKKCXOI-NSHDSACASA-N	-1	0	270.329	0.921	20	30		CCEDRM
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C#CCN(C(=O)c1cnc(C(=O)[O-])cn1)C1CSC1	ZINC001602679525	971260273	/nfs/dbraw/zinc/26/02/73/971260273.db2.gz	RRPKINGEIASEQC-UHFFFAOYSA-N	-1	0	277.305	0.366	20	30		CCEDRM
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C#CCN(CC(=O)[O-])Cc1nc([C@@H](C)OC)no1	ZINC001602699513	971317929	/nfs/dbraw/zinc/31/79/29/971317929.db2.gz	WKIYRNFTSBBRNJ-MRVPVSSYSA-N	-1	0	253.258	0.297	20	30		CCEDRM
C#CCN(CC(=O)[O-])c1nnc([C@H]2CCCO2)n1CC	ZINC001602700934	971324155	/nfs/dbraw/zinc/32/41/55/971324155.db2.gz	OOOJIKSNVVSUCQ-SNVBAGLBSA-N	-1	0	278.312	0.674	20	30		CCEDRM
C#CCN(CC(=O)[O-])c1nnc([C@@H]2C[C@H]2C)n1CCOC	ZINC001602701162	971327584	/nfs/dbraw/zinc/32/75/84/971327584.db2.gz	ZMXPJQNTVZRUIU-GHMZBOCLSA-N	-1	0	292.339	0.572	20	30		CCEDRM
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C#Cc1ccc(NC(=O)C(=O)N(C)C[C@@H](C)C(=O)[O-])cc1	ZINC001602704745	971337604	/nfs/dbraw/zinc/33/76/04/971337604.db2.gz	QYPSZIISPJCYPC-SNVBAGLBSA-N	-1	0	288.303	0.786	20	30		CCEDRM
C#Cc1cccc(N(C)C(=O)[C@@H]2CC(C(=O)[O-])=NO2)c1	ZINC001602706991	971340724	/nfs/dbraw/zinc/34/07/24/971340724.db2.gz	GWDILDCESCOAQN-LBPRGKRZSA-N	-1	0	272.260	0.860	20	30		CCEDRM
C=C(C)C[C@H](NC(C)=O)C(=O)Nc1cc(C(=O)[O-])n[nH]1	ZINC001602709435	971345676	/nfs/dbraw/zinc/34/56/76/971345676.db2.gz	AHGOXFLOBAQVOZ-QMMMGPOBSA-N	-1	0	280.284	0.517	20	30		CCEDRM
C=C/C=C/CCn1c(N)nc(-c2nnn[n-]2)c1C#N	ZINC001573314733	947238001	/nfs/dbraw/zinc/23/80/01/947238001.db2.gz	FOXGYAXYGRQPEG-ONEGZZNKSA-N	-1	0	256.273	0.649	20	30		CCEDRM
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C=CCCn1cc(CON2C[C@H](C(=O)[O-])CC2=O)nn1	ZINC001602721931	971384525	/nfs/dbraw/zinc/38/45/25/971384525.db2.gz	GZQLTVVJJVBRAT-SECBINFHSA-N	-1	0	280.284	0.219	20	30		CCEDRM
C=CCNC(=O)[C@@H](C)OC(=O)[C@H](C(=O)[O-])C(C)C	ZINC001602723015	971392392	/nfs/dbraw/zinc/39/23/92/971392392.db2.gz	IIGYMIVKYORSHJ-BDAKNGLRSA-N	-1	0	257.286	0.577	20	30		CCEDRM
C=C[C@@H]1OCC[C@H]1NC(=O)c1cnc(C(=O)[O-])cn1	ZINC001602730835	971409352	/nfs/dbraw/zinc/40/93/52/971409352.db2.gz	DYVSBZQGLQYAOH-XCBNKYQSSA-N	-1	0	263.253	0.248	20	30		CCEDRM
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C[C@](C#N)(CC(=O)[O-])C(=O)N1CCN(CCC#N)CC1	ZINC001602780664	971519578	/nfs/dbraw/zinc/51/95/78/971519578.db2.gz	KWHYAOBIDPAZCI-CYBMUJFWSA-N	-1	0	278.312	0.049	20	30		CCEDRM
C[C@](C#N)(CC(=O)[O-])C(=O)N[C@@H]1CO[C@H](C2CC2)C1	ZINC001602781308	971522754	/nfs/dbraw/zinc/52/27/54/971522754.db2.gz	VKVJQHSLJXMTSZ-OUJBWJOFSA-N	-1	0	266.297	0.675	20	30		CCEDRM
C[C@@H](Oc1ccccc1C#N)C(=O)N1CC(C(=O)[O-])C1	ZINC000071173118	948990179	/nfs/dbraw/zinc/99/01/79/948990179.db2.gz	XPMFZYPUTFSXIX-SECBINFHSA-N	-1	0	274.276	0.869	20	30		CCEDRM
C#CCN(CC(=O)[O-])C(=O)c1ccc(-n2ccnc2)nc1	ZINC000092478609	949150490	/nfs/dbraw/zinc/15/04/90/949150490.db2.gz	IHPIETOFGYONFP-UHFFFAOYSA-N	-1	0	284.275	0.427	20	30		CCEDRM
C[C@@H](C(=O)[O-])C(=O)N1CC(Oc2ccc(C#N)cc2)C1	ZINC001602796676	971562556	/nfs/dbraw/zinc/56/25/56/971562556.db2.gz	BZXKRZSOEPLOCU-SECBINFHSA-N	-1	0	274.276	0.869	20	30		CCEDRM
N#Cc1ccnnc1NCC1(C(=O)[O-])CCOCC1	ZINC000138147718	949342863	/nfs/dbraw/zinc/34/28/63/949342863.db2.gz	GDRKEDUNLARXGP-UHFFFAOYSA-N	-1	0	262.269	0.642	20	30		CCEDRM
CCCN(CC(=O)[O-])Cn1cc2c(c(C#N)c1=O)CCC2	ZINC001589669650	949919969	/nfs/dbraw/zinc/91/99/69/949919969.db2.gz	KWBSHQSFXGYEQH-UHFFFAOYSA-N	-1	0	289.335	0.963	20	30		CCEDRM
C[C@H](C(=O)[O-])c1noc([C@@]2(C#N)CCCOC2)n1	ZINC001602825845	971643517	/nfs/dbraw/zinc/64/35/17/971643517.db2.gz	WHHFCFNLRWMZMT-WRWORJQWSA-N	-1	0	251.242	0.829	20	30		CCEDRM
CC(C)(C(=O)[O-])C(=O)NCCNc1ccc(C#N)cn1	ZINC001602832757	971660816	/nfs/dbraw/zinc/66/08/16/971660816.db2.gz	WWOSQAHQSDQMFZ-UHFFFAOYSA-N	-1	0	276.296	0.592	20	30		CCEDRM
C=CCCOCCNC(=O)C(=O)N1CCC(C(=O)[O-])CC1	ZINC001602880790	971759329	/nfs/dbraw/zinc/75/93/29/971759329.db2.gz	DJMITSZOLIPQCF-UHFFFAOYSA-N	-1	0	298.339	0.019	20	30		CCEDRM
CC(C)[C@H](C(=O)[O-])C(=O)N1CCO[C@@](C)(C#N)C1	ZINC001602965100	971956579	/nfs/dbraw/zinc/95/65/79/971956579.db2.gz	KVZACOIJCWYAAD-CABZTGNLSA-N	-1	0	254.286	0.484	20	30		CCEDRM
CCn1ccc(COC(=O)[C@@](C)(C#N)CC(=O)[O-])n1	ZINC001593666207	953851635	/nfs/dbraw/zinc/85/16/35/953851635.db2.gz	HVWDRPQHHHHSNK-GFCCVEGCSA-N	-1	0	265.269	0.951	20	30		CCEDRM
C[C@@H]1CN(C(=O)[C@@](C)(C#N)CC(=O)[O-])C[C@H](C)[C@H]1O	ZINC001589366235	954197971	/nfs/dbraw/zinc/19/79/71/954197971.db2.gz	LBEIWLWDYPJOMS-UPBCOZELSA-N	-1	0	268.313	0.466	20	30		CCEDRM
C[C@@H]1CN(C(=O)C2(C#N)CCOCC2)CC[C@H]1C(=O)[O-]	ZINC001589366228	954198037	/nfs/dbraw/zinc/19/80/37/954198037.db2.gz	KZJVIEUHOFBBGN-GHMZBOCLSA-N	-1	0	280.324	0.876	20	30		CCEDRM
CN(CC(C)(C)C#N)C(=O)c1cc(C(=O)[O-])nn1C	ZINC001593724473	954271124	/nfs/dbraw/zinc/27/11/24/954271124.db2.gz	RQUWZBXRNVUXFB-UHFFFAOYSA-N	-1	0	264.285	0.740	20	30		CCEDRM
CC[C@H](C#N)OC(=O)[C@H]1CCCN(CC(=O)[O-])C1=O	ZINC001589426978	954636621	/nfs/dbraw/zinc/63/66/21/954636621.db2.gz	VRCRGIXTCKMAJV-BDAKNGLRSA-N	-1	0	268.269	0.155	20	30		CCEDRM
CC[C@@H](CNC(=O)[C@@H](O)c1ccc(C#N)cc1)C(=O)[O-]	ZINC001589517477	955073396	/nfs/dbraw/zinc/07/33/96/955073396.db2.gz	KQQGXYHEQFPHGB-JQWIXIFHSA-N	-1	0	276.292	0.819	20	30		CCEDRM
COC(=O)CCN(CC#N)C(=O)[C@@H](C(=O)[O-])C(C)(C)C	ZINC001593835850	955180031	/nfs/dbraw/zinc/18/00/31/955180031.db2.gz	JBONLWPLVFPIPV-JTQLQIEISA-N	-1	0	284.312	0.649	20	30		CCEDRM
COC(=O)CCN(CC#N)C(=O)[C@]1(C(=O)[O-])C[C@H]1C	ZINC001593836128	955313614	/nfs/dbraw/zinc/31/36/14/955313614.db2.gz	RIQPIJUBHRUORH-PELKAZGASA-N	-1	0	268.269	0.012	20	30		CCEDRM
C[C@@H](CN(C)C(=O)C(=O)N1CCC[C@H](CC#N)C1)C(=O)[O-]	ZINC001589019974	955461576	/nfs/dbraw/zinc/46/15/76/955461576.db2.gz	MGYGYZIRPBXEBB-WDEREUQCSA-N	-1	0	295.339	0.318	20	30		CCEDRM
C[C@@H](CN(C)C(=O)C(=O)N1CCC(CC#N)CC1)C(=O)[O-]	ZINC001589021146	955471439	/nfs/dbraw/zinc/47/14/39/955471439.db2.gz	YAPAMAJEFDYYKD-JTQLQIEISA-N	-1	0	295.339	0.318	20	30		CCEDRM
Cn1ccnc1[C@H](C#N)C(=O)C1(CC(=O)[O-])CCOCC1	ZINC001594554590	955749635	/nfs/dbraw/zinc/74/96/35/955749635.db2.gz	SMBHZPFKECNFBP-SNVBAGLBSA-N	-1	0	291.307	0.868	20	30		CCEDRM
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CO[C@@H](C(=O)[O-])C(=O)Nc1n[nH]c(C2CC2)c1C#N	ZINC001593911254	955966777	/nfs/dbraw/zinc/96/67/77/955966777.db2.gz	JHBANEPHRAOBJD-MRVPVSSYSA-N	-1	0	264.241	0.197	20	30		CCEDRM
CO[C@@H](C(=O)[O-])C(=O)OCC#Cc1ccc(F)cc1	ZINC001593914251	956007034	/nfs/dbraw/zinc/00/70/34/956007034.db2.gz	FTBRUZRIEWOTKH-NSHDSACASA-N	-1	0	266.224	0.820	20	30		CCEDRM
CO[C@@H](C(=O)[O-])C(=O)N[C@@H](C)c1ccc(C#N)cc1	ZINC001593915594	956018287	/nfs/dbraw/zinc/01/82/87/956018287.db2.gz	FFMHBDMLBVWDKY-GZMMTYOYSA-N	-1	0	262.265	0.835	20	30		CCEDRM
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N#C[C@@H]1COCCN1C(=O)[C@@H]1CO[C@H](CCC(=O)[O-])C1	ZINC001594606098	956176966	/nfs/dbraw/zinc/17/69/66/956176966.db2.gz	QCPTTYFGIYBHKW-HBNTYKKESA-N	-1	0	282.296	0.007	20	30		CCEDRM
N#CC[C@]1(O)CCN(C(=O)C2(C(=O)[O-])CCSCC2)C1	ZINC001594606656	956186166	/nfs/dbraw/zinc/18/61/66/956186166.db2.gz	YWDSVUSYNCHAGL-LBPRGKRZSA-N	-1	0	298.364	0.461	20	30		CCEDRM
N#Cc1ccc(C(=O)O[C@H]2CCN(CC(=O)[O-])C2=O)cc1	ZINC001594617564	956250535	/nfs/dbraw/zinc/25/05/35/956250535.db2.gz	FLSYLUHMWBEXIX-NSHDSACASA-N	-1	0	288.259	0.401	20	30		CCEDRM
N#Cc1ccc(Cl)c(C(=O)OCC(=O)NCC(=O)[O-])c1	ZINC001594620011	956273626	/nfs/dbraw/zinc/27/36/26/956273626.db2.gz	WMVCKCIXTRUEST-UHFFFAOYSA-N	-1	0	296.666	0.569	20	30		CCEDRM
N#Cc1cnccc1NC(=O)c1cccn(CC(=O)[O-])c1=O	ZINC001594633959	956360031	/nfs/dbraw/zinc/36/00/31/956360031.db2.gz	AUAZDYCQBGKGKL-UHFFFAOYSA-N	-1	0	298.258	0.452	20	30		CCEDRM
N#Cc1cnccc1NC(=O)c1cnc(C(=O)[O-])cn1	ZINC001594634932	956365578	/nfs/dbraw/zinc/36/55/78/956365578.db2.gz	SCMZGPDHQKCUNC-UHFFFAOYSA-N	-1	0	269.220	0.116	20	30		CCEDRM
C[C@H](CC#N)NC(=O)C(=O)Nc1cccc(CC(=O)[O-])c1	ZINC001603118534	972197708	/nfs/dbraw/zinc/19/77/08/972197708.db2.gz	CJFIHIPIXZZJIH-SECBINFHSA-N	-1	0	289.291	0.671	20	30		CCEDRM
C[C@@H](CC#N)NC(=O)C(=O)Nc1cccc(CC(=O)[O-])c1	ZINC001603118544	972197740	/nfs/dbraw/zinc/19/77/40/972197740.db2.gz	CJFIHIPIXZZJIH-VIFPVBQESA-N	-1	0	289.291	0.671	20	30		CCEDRM
CC1(C)C(C)(C)C1(C(=O)[O-])C(=O)N[C@@H]1CCCN(O)C1=O	ZINC001589204498	956653639	/nfs/dbraw/zinc/65/36/39/956653639.db2.gz	FBUGLRMFFJXPGB-MRVPVSSYSA-N	-1	0	298.339	0.620	20	30		CCEDRM
COCCN(CCC(=O)[O-])C(=O)NCC(C)(C)C#N	ZINC001594005419	956965652	/nfs/dbraw/zinc/96/56/52/956965652.db2.gz	SGDFYIWZMXGMTD-UHFFFAOYSA-N	-1	0	271.317	0.669	20	30		CCEDRM
C[C@@H](CN(C)C(=O)C(=O)Nc1sccc1C#N)C(=O)[O-]	ZINC001603145402	972242520	/nfs/dbraw/zinc/24/25/20/972242520.db2.gz	QBXMVFDPRBWJJS-ZETCQYMHSA-N	-1	0	295.320	0.737	20	30		CCEDRM
C[C@@](CNC(=O)NCC#CCO)(C(=O)[O-])c1ccccc1	ZINC001603176839	972280937	/nfs/dbraw/zinc/28/09/37/972280937.db2.gz	XTVYQOVMSVYWCY-HNNXBMFYSA-N	-1	0	290.319	0.324	20	30		CCEDRM
C[C@@H](CNC(=O)NCc1nc(C#N)cs1)C(=O)[O-]	ZINC001603184024	972285609	/nfs/dbraw/zinc/28/56/09/972285609.db2.gz	PMAYEZGQWQJJPF-LURJTMIESA-N	-1	0	268.298	0.535	20	30		CCEDRM
C#C[C@H]1CCCCN1C(=O)C(=O)NCCCCC(=O)[O-]	ZINC001588382001	957967049	/nfs/dbraw/zinc/96/70/49/957967049.db2.gz	CXAHPRAPTGVCJK-NSHDSACASA-N	-1	0	280.324	0.372	20	30		CCEDRM
C#C[C@H]1COCCN1C(=O)c1cccc(OCC(=O)[O-])c1	ZINC001588383724	957968248	/nfs/dbraw/zinc/96/82/48/957968248.db2.gz	IXYKBWJGWLVZLB-LBPRGKRZSA-N	-1	0	289.287	0.624	20	30		CCEDRM
C#C[C@@H](NC(=O)[C@H]1CC(C(=O)[O-])=NO1)c1ccc(F)cc1	ZINC001588387901	957990403	/nfs/dbraw/zinc/99/04/03/957990403.db2.gz	MVRDFQKOHGPQDV-ZYHUDNBSSA-N	-1	0	290.250	0.846	20	30		CCEDRM
C#CC[C@@H](CCOC)NC(=O)C1(CC(=O)[O-])CCOCC1	ZINC001588389274	958005468	/nfs/dbraw/zinc/00/54/68/958005468.db2.gz	QGFRSJHTYUPYLQ-LBPRGKRZSA-N	-1	0	297.351	0.803	20	30		CCEDRM
C#CCCN(CC(F)(F)F)C(=O)[C@@H]1CC(C(=O)[O-])=NO1	ZINC001588390665	958012682	/nfs/dbraw/zinc/01/26/82/958012682.db2.gz	AQLLXMVYHGGWTE-QMMMGPOBSA-N	-1	0	292.213	0.630	20	30		CCEDRM
C#CCCCn1nnnc1N1CCC[C@@H](CC(=O)[O-])C1	ZINC001588390820	958015633	/nfs/dbraw/zinc/01/56/33/958015633.db2.gz	LEPMBEXXIOMCTP-NSHDSACASA-N	-1	0	277.328	0.778	20	30		CCEDRM
C#CCNC(=O)CN1Cc2ccccc2[C@H](C(=O)[O-])C1	ZINC000087612486	958023782	/nfs/dbraw/zinc/02/37/82/958023782.db2.gz	MVYFRUWXVDQIRN-CYBMUJFWSA-N	-1	0	272.304	0.420	20	30		CCEDRM
C#CCN(C)C(=O)C(=O)Nc1ccccc1CC(=O)[O-]	ZINC001588395499	958041817	/nfs/dbraw/zinc/04/18/17/958041817.db2.gz	NCGJKFBZWYRSIQ-UHFFFAOYSA-N	-1	0	274.276	0.344	20	30		CCEDRM
O=C([O-])c1cn(CCNC(=O)C#Cc2ccccc2)nn1	ZINC000089695766	958079550	/nfs/dbraw/zinc/07/95/50/958079550.db2.gz	SVOAPIIRBBHGRU-UHFFFAOYSA-N	-1	0	284.275	0.144	20	30		CCEDRM
C#CCN(CC(=O)[O-])C(=O)/C=C/c1cccc(O)c1	ZINC001588400420	958082352	/nfs/dbraw/zinc/08/23/52/958082352.db2.gz	XEBIMQPXCAWHNS-VOTSOKGWSA-N	-1	0	259.261	0.952	20	30		CCEDRM
C#CCN(CC(=O)[O-])C(=O)NC[C@H]1OCc2ccccc21	ZINC001588408264	958106848	/nfs/dbraw/zinc/10/68/48/958106848.db2.gz	DKLSWOIXWDMMPD-CYBMUJFWSA-N	-1	0	288.303	0.987	20	30		CCEDRM
C#CCN(CC(=O)[O-])C(=O)NCCCc1c(C)noc1C	ZINC001588408425	958110211	/nfs/dbraw/zinc/11/02/11/958110211.db2.gz	MLGFKHKYNDPHAR-UHFFFAOYSA-N	-1	0	293.323	0.953	20	30		CCEDRM
C#CCNCC(=O)N1C[C@H](C(=O)[O-])Oc2ccccc21	ZINC000092493082	958166395	/nfs/dbraw/zinc/16/63/95/958166395.db2.gz	BIDBCUAFWPIYAJ-GFCCVEGCSA-N	-1	0	274.276	0.088	20	30		CCEDRM
C#CCN(CC(=O)[O-])C(=O)c1ccc2nnn(C)c2c1	ZINC001588418708	958183301	/nfs/dbraw/zinc/18/33/01/958183301.db2.gz	DXBLAXWURDCINN-UHFFFAOYSA-N	-1	0	272.264	0.128	20	30		CCEDRM
C#CCN(CC(=O)[O-])C(=O)c1ccn(CC(F)F)n1	ZINC001588418882	958188482	/nfs/dbraw/zinc/18/84/82/958188482.db2.gz	IIPKLZDQTHJSFW-UHFFFAOYSA-N	-1	0	271.223	0.308	20	30		CCEDRM
C#CCN(CC(=O)[O-])C(=O)c1ccc2[nH]c(=O)[nH]c2c1	ZINC001588419172	958193001	/nfs/dbraw/zinc/19/30/01/958193001.db2.gz	VZKYHAQSUCKPRV-UHFFFAOYSA-N	-1	0	273.248	0.429	20	30		CCEDRM
C#CCN(CC(=O)[O-])[C@@H]1C[C@H]2CCCC[C@H]2NC1=O	ZINC001588419676	958193922	/nfs/dbraw/zinc/19/39/22/958193922.db2.gz	ASQLPIRDRNGCJC-IJLUTSLNSA-N	-1	0	264.325	0.454	20	30		CCEDRM
C#CCN(CC(=O)[O-])C[C@H]1CCC[C@]2(CCOC2)O1	ZINC001588423632	958204352	/nfs/dbraw/zinc/20/43/52/958204352.db2.gz	AAIJWKLZQWHOQY-TZMCWYRMSA-N	-1	0	267.325	0.734	20	30		CCEDRM
C#CCN(CC(=O)[O-])C[C@H](O)CCC1(O)CCC1	ZINC001588424157	958212998	/nfs/dbraw/zinc/21/29/98/958212998.db2.gz	KKWMBPZXEIJXSS-LLVKDONJSA-N	-1	0	255.314	0.062	20	30		CCEDRM
C#CCN(CC(=O)[O-])c1nnc(C2CCOCC2)n1C	ZINC001588427071	958238593	/nfs/dbraw/zinc/23/85/93/958238593.db2.gz	LKJYYCBJKHOITK-UHFFFAOYSA-N	-1	0	278.312	0.233	20	30		CCEDRM
C#CC[N@H+]1CCC[C@@H]1COC(=O)[C@H]1CC[C@H]1C(=O)[O-]	ZINC001588430111	958252969	/nfs/dbraw/zinc/25/29/69/958252969.db2.gz	IECGFAHHCAUIAG-UTUOFQBUSA-N	-1	0	265.309	0.738	20	30		CCEDRM
C#CCO[C@@H](C)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)[O-]	ZINC001588431022	958264768	/nfs/dbraw/zinc/26/47/68/958264768.db2.gz	JLDPGLDEBASYFX-GWCFXTLKSA-N	-1	0	291.303	0.542	20	30		CCEDRM
C#CCOCCNC(=O)/C=C\c1ccc(C(=O)[O-])o1	ZINC001588431457	958270006	/nfs/dbraw/zinc/27/00/06/958270006.db2.gz	PNTHVPICRZMTKZ-XQRVVYSFSA-N	-1	0	263.249	0.757	20	30		CCEDRM
C#CCOCCC(=O)N1C[C@H](C(=O)[O-])CC[C@H]1C	ZINC001588431673	958273206	/nfs/dbraw/zinc/27/32/06/958273206.db2.gz	UWOXHNHCQFDIDU-GHMZBOCLSA-N	-1	0	253.298	0.738	20	30		CCEDRM
C#Cc1ccc(CNC(=O)[C@](C)(OC)C(=O)[O-])cc1	ZINC001588439382	958316102	/nfs/dbraw/zinc/31/61/02/958316102.db2.gz	UDNKZQIKPOZGMS-AWEZNQCLSA-N	-1	0	261.277	0.774	20	30		CCEDRM
C=C(C)Cn1c(CO)nnc1N1CC[C@H](C)[C@H](C(=O)[O-])C1	ZINC001588442215	958342753	/nfs/dbraw/zinc/34/27/53/958342753.db2.gz	GXGABNQTGCULRG-WDEREUQCSA-N	-1	0	294.355	0.894	20	30		CCEDRM
C=C(C)C[C@H](CO)NC(=O)[C@H]1CO[C@@H](CCC(=O)[O-])C1	ZINC001588442677	958346316	/nfs/dbraw/zinc/34/63/16/958346316.db2.gz	UOUPRUGPAFIJGB-UTUOFQBUSA-N	-1	0	285.340	0.700	20	30		CCEDRM
C=C(C)Cn1c(C)nnc1N1C[C@@H]2COC[C@]2(C(=O)[O-])C1	ZINC001588443086	958350838	/nfs/dbraw/zinc/35/08/38/958350838.db2.gz	MZVSXFLRMHLXEC-BXUZGUMPSA-N	-1	0	292.339	0.700	20	30		CCEDRM
C=C[C@](C)(O)CC(=O)N1C[C@@H](C(=O)[O-])[C@H](C2CC2)C1	ZINC001588451267	958407338	/nfs/dbraw/zinc/40/73/38/958407338.db2.gz	QXPDGIPRQIJXJX-WDMOLILDSA-N	-1	0	267.325	0.883	20	30		CCEDRM
C=CC[C@H](CO)NC(=O)Nc1cc(C(=O)[O-])ccn1	ZINC001588453439	958438436	/nfs/dbraw/zinc/43/84/36/958438436.db2.gz	XMUNRJCKRIUNNP-SECBINFHSA-N	-1	0	265.269	0.838	20	30		CCEDRM
C=CCC[C@@H](NC(=O)[C@@H](C)C(=O)[O-])C(=O)OCC	ZINC001588457382	958449953	/nfs/dbraw/zinc/44/99/53/958449953.db2.gz	XHYTVBSKIKFDRH-RKDXNWHRSA-N	-1	0	257.286	0.721	20	30		CCEDRM
C=CCCC[C@@H](NC(=O)[C@@H]1CC(C(=O)[O-])=NO1)C(=O)OC	ZINC001588458868	958467624	/nfs/dbraw/zinc/46/76/24/958467624.db2.gz	WJEZEXVMKWBTOM-SCZZXKLOSA-N	-1	0	298.295	0.230	20	30		CCEDRM
C=CCN(C(=O)C(=O)N1CCC(C(=O)[O-])CC1)C(C)C	ZINC001588460393	958474269	/nfs/dbraw/zinc/47/42/69/958474269.db2.gz	DIFJCAPAERUMBA-UHFFFAOYSA-N	-1	0	282.340	0.733	20	30		CCEDRM
C=CCN(CCC#N)C(=O)[C@@H]1CC(C(=O)[O-])=NO1	ZINC001588463280	958483493	/nfs/dbraw/zinc/48/34/93/958483493.db2.gz	JTMOZLYQRSDSQC-VIFPVBQESA-N	-1	0	251.242	0.144	20	30		CCEDRM
C=CC[N@@H+](C)CCN(CC)C(=O)COCC(=O)[O-]	ZINC001588463451	958484104	/nfs/dbraw/zinc/48/41/04/958484104.db2.gz	RZUDTVYIHIHPQZ-UHFFFAOYSA-N	-1	0	258.318	0.054	20	30		CCEDRM
C#C[C@H](C)NS(=O)(=O)Cc1cccc(C(=O)[O-])c1	ZINC000122961142	958490828	/nfs/dbraw/zinc/49/08/28/958490828.db2.gz	NIJFVINGNFWYIA-VIFPVBQESA-N	-1	0	267.306	0.826	20	30		CCEDRM
C=CCCC[C@H](NC(=O)[C@@](C)(OC)C(=O)[O-])C(=O)OC	ZINC001573328140	958496581	/nfs/dbraw/zinc/49/65/81/958496581.db2.gz	BRVVLPMSUUHJCY-TVQRCGJNSA-N	-1	0	287.312	0.490	20	30		CCEDRM
C=CCOCCCn1nnnc1N1CC[C@H](C(=O)[O-])C1	ZINC001588465121	958496877	/nfs/dbraw/zinc/49/68/77/958496877.db2.gz	JRSVJNXRSXCLRS-JTQLQIEISA-N	-1	0	281.316	0.177	20	30		CCEDRM
C=CCO[C@@H]1CCN(CN2C[C@@H](C(=O)[O-])CC2=O)C1	ZINC001588465162	958498280	/nfs/dbraw/zinc/49/82/80/958498280.db2.gz	NQHDXLIFHFGZLG-WDEREUQCSA-N	-1	0	268.313	0.154	20	30		CCEDRM
C=CCNC(=O)CN[C@H](C(=O)[O-])c1ccc(F)cc1	ZINC001588465593	958506399	/nfs/dbraw/zinc/50/63/99/958506399.db2.gz	VIXQYKSJJGMQFW-LBPRGKRZSA-N	-1	0	266.272	0.843	20	30		CCEDRM
C=CCS(=O)(=O)CCNC(=O)NCCCCC(=O)[O-]	ZINC001588469617	958518957	/nfs/dbraw/zinc/51/89/57/958518957.db2.gz	NYFWRGNRSYYHGU-UHFFFAOYSA-N	-1	0	292.357	0.141	20	30		CCEDRM
C=CCn1c([C@@H](C)CO)nnc1N1CC[C@H](C(=O)[O-])C1	ZINC001588470863	958532156	/nfs/dbraw/zinc/53/21/56/958532156.db2.gz	WYJDGQVVWHOXFT-UWVGGRQHSA-N	-1	0	280.328	0.471	20	30		CCEDRM
C=CCn1c(-c2cc[nH]n2)nnc1N1CC[C@H](C(=O)[O-])C1	ZINC001588470972	958534447	/nfs/dbraw/zinc/53/44/47/958534447.db2.gz	YHPVKOQQHJPALR-VIFPVBQESA-N	-1	0	288.311	0.765	20	30		CCEDRM
C=CCn1c(CCOCC)nnc1N1CC[C@@H](C(=O)[O-])C1	ZINC001588472064	958538723	/nfs/dbraw/zinc/53/87/23/958538723.db2.gz	JCEVSBUANMROKG-LLVKDONJSA-N	-1	0	294.355	0.954	20	30		CCEDRM
C=CCn1c(N2CC[C@H](C(=O)[O-])C2)nnc1[C@](C)(O)CC	ZINC001588472982	958548998	/nfs/dbraw/zinc/54/89/98/958548998.db2.gz	VICGQJOBFVGIQV-IINYFYTJSA-N	-1	0	294.355	0.993	20	30		CCEDRM
C[C@@](C#N)(CC(=O)[O-])C(=O)N1CCO[C@@H]2CCC[C@@H]21	ZINC001573359758	958586753	/nfs/dbraw/zinc/58/67/53/958586753.db2.gz	GVNGCLTTYULJKE-CWSCBRNRSA-N	-1	0	266.297	0.771	20	30		CCEDRM
C[C@](C#N)(CC(=O)[O-])C(=O)N1CCc2cccnc21	ZINC001573360574	958593360	/nfs/dbraw/zinc/59/33/60/958593360.db2.gz	WAWBADQXJODHRK-CYBMUJFWSA-N	-1	0	259.265	0.975	20	30		CCEDRM
C[C@@](C#N)(CC(=O)[O-])C(=O)NCCCCCCO	ZINC001573364513	958615621	/nfs/dbraw/zinc/61/56/21/958615621.db2.gz	OTVBMBIGBPIOJT-LBPRGKRZSA-N	-1	0	256.302	0.660	20	30		CCEDRM
O=C([O-])C[C@@H]1COCCN1C(=O)C#Cc1ccccc1	ZINC000129370444	958701036	/nfs/dbraw/zinc/70/10/36/958701036.db2.gz	BZJOAQGXPBOSQW-CYBMUJFWSA-N	-1	0	273.288	0.740	20	30		CCEDRM
C[C@](C#N)(CC(=O)[O-])C(=O)N=S1(=O)CCCC1	ZINC001588537987	958937064	/nfs/dbraw/zinc/93/70/64/958937064.db2.gz	BCOLCFQVCQAVKD-SNVBAGLBSA-N	-1	0	258.299	0.779	20	30		CCEDRM
C[C@@](C#N)(CC(=O)[O-])C(=O)N[C@@H]1COC2(CCC2)C1	ZINC001588538862	958945577	/nfs/dbraw/zinc/94/55/77/958945577.db2.gz	ORNRVOIBKQJCDE-CABZTGNLSA-N	-1	0	266.297	0.819	20	30		CCEDRM
C[C@@](C#N)(CC(=O)[O-])C(=O)N1CCc2c(nc[nH]c2=O)C1	ZINC001588538948	958948247	/nfs/dbraw/zinc/94/82/47/958948247.db2.gz	RJHAFPLPKUEKKG-ZDUSSCGKSA-N	-1	0	290.279	0.071	20	30		CCEDRM
C[C@@](C#N)(CC(=O)[O-])C(=O)Nc1cccc2c1CNC2=O	ZINC001588540008	958956069	/nfs/dbraw/zinc/95/60/69/958956069.db2.gz	LWPJBTLHIIDWEJ-AWEZNQCLSA-N	-1	0	287.275	0.873	20	30		CCEDRM
C[C@@](C#N)(CC(=O)[O-])C(=O)OCCC1(O)CCC1	ZINC001588540314	958959766	/nfs/dbraw/zinc/95/97/66/958959766.db2.gz	XDQWTAVIYWZFHW-NSHDSACASA-N	-1	0	255.270	0.839	20	30		CCEDRM
CC(C)[C@@H](C#N)N1CCN(C(=O)[C@H]2CC[C@H]2C(=O)[O-])CC1	ZINC001573484401	958986684	/nfs/dbraw/zinc/98/66/84/958986684.db2.gz	IULKLONWVZVURP-YNEHKIRRSA-N	-1	0	293.367	0.790	20	30		CCEDRM
C[C@@H](C(=O)N1CCC[C@H](CC(=O)[O-])C1)n1cnc(C#N)n1	ZINC001588549613	959011723	/nfs/dbraw/zinc/01/17/23/959011723.db2.gz	ZIMSHYZWGJIGCR-VHSXEESVSA-N	-1	0	291.311	0.424	20	30		CCEDRM
C#CC[C@@H](NC(=O)/C=C/c1ccc(O)cc1)C(=O)[O-]	ZINC000149741353	959025853	/nfs/dbraw/zinc/02/58/53/959025853.db2.gz	DLXHBQDATTYGMY-UVMWJGKXSA-N	-1	0	259.261	0.998	20	30		CCEDRM
C[C@](C#N)(CC(=O)[O-])C(=O)NCCOCC(F)F	ZINC001588556466	959056189	/nfs/dbraw/zinc/05/61/89/959056189.db2.gz	DTWZDAURHSJZDK-SNVBAGLBSA-N	-1	0	264.228	0.389	20	30		CCEDRM
C#CC[C@H](NS(=O)(=O)c1cc(C#N)ccc1C)C(=O)[O-]	ZINC000159586381	959121334	/nfs/dbraw/zinc/12/13/34/959121334.db2.gz	NVYNZCAHCLKMDI-NSHDSACASA-N	-1	0	292.316	0.622	20	30		CCEDRM
CC(C)[C@@H](C#N)N1CCN(C(=O)[C@H](C)C(=O)[O-])CC1	ZINC001588566099	959148602	/nfs/dbraw/zinc/14/86/02/959148602.db2.gz	TVWGTEYLNKFYKO-WDEREUQCSA-N	-1	0	267.329	0.399	20	30		CCEDRM
Cc1cnn([C@@H]2CCN(C(=O)[C@@](C)(C#N)CC(=O)[O-])C2)c1	ZINC001594434687	959216994	/nfs/dbraw/zinc/21/69/94/959216994.db2.gz	ORCURDQOVXMFRK-BXUZGUMPSA-N	-1	0	290.323	0.970	20	30		CCEDRM
C[C@H](C(=O)[O-])N(C(=O)[C@@H](C)n1cnc(C#N)n1)C1CC1	ZINC001588582502	959270627	/nfs/dbraw/zinc/27/06/27/959270627.db2.gz	KYBDIBVYLWUSPZ-HTQZYQBOSA-N	-1	0	277.284	0.175	20	30		CCEDRM
C[C@@H](C(=O)[O-])C(=O)Nc1ccccc1-n1ncc(C#N)c1N	ZINC001588586442	959314210	/nfs/dbraw/zinc/31/42/10/959314210.db2.gz	SEOWELOOAALXOI-MRVPVSSYSA-N	-1	0	299.290	0.985	20	30		CCEDRM
C[C@@](O)(CNC(=O)[C@@H](C#N)CCc1ccccc1)C(=O)[O-]	ZINC001573583058	959360902	/nfs/dbraw/zinc/36/09/02/959360902.db2.gz	RPHKDZGQJYOXCG-IUODEOHRSA-N	-1	0	290.319	0.711	20	30		CCEDRM
C[C@](O)(CNC(=O)Nc1sccc1C#N)C(=O)[O-]	ZINC001573583283	959361842	/nfs/dbraw/zinc/36/18/42/959361842.db2.gz	SGDYDVRLQZBINI-JTQLQIEISA-N	-1	0	269.282	0.577	20	30		CCEDRM
CC(C)(C#N)CC(=O)OCc1cn(CC(=O)[O-])nn1	ZINC001588606818	959480832	/nfs/dbraw/zinc/48/08/32/959480832.db2.gz	LQWVDCLZITVLOO-UHFFFAOYSA-N	-1	0	266.257	0.346	20	30		CCEDRM
C[C@H](NC(=O)N[C@H](CC#N)C(F)(F)F)C(=O)[O-]	ZINC001594235292	959507592	/nfs/dbraw/zinc/50/75/92/959507592.db2.gz	HOTKYQBTIAJTGH-CRCLSJGQSA-N	-1	0	253.180	0.603	20	30		CCEDRM
COc1cc(C(=O)[O-])ccc1S(=O)(=O)N[C@@H](C)CC#N	ZINC000223702851	959840357	/nfs/dbraw/zinc/84/03/57/959840357.db2.gz	QCCQGGAYPDKAIR-QMMMGPOBSA-N	-1	0	298.320	0.974	20	30		CCEDRM
COCCN(CCC#N)c1cnc(C(=O)[O-])cn1	ZINC000230077434	960126088	/nfs/dbraw/zinc/12/60/88/960126088.db2.gz	VUYOXMDWLNDGHK-UHFFFAOYSA-N	-1	0	250.258	0.541	20	30		CCEDRM
C#CC[C@H](NC(=O)c1nn(C)c2ccccc21)C(=O)[O-]	ZINC000231895607	960215214	/nfs/dbraw/zinc/21/52/14/960215214.db2.gz	LPXKYTRUNYPBQQ-JTQLQIEISA-N	-1	0	271.276	0.780	20	30		CCEDRM
C[S@](=O)[C@@H]1CC[C@@H](NC(=O)[C@@](C)(C#N)CC(=O)[O-])C1	ZINC001574250909	960516713	/nfs/dbraw/zinc/51/67/13/960516713.db2.gz	SMBNDDRIXTXBNQ-CQCOZAKWSA-N	-1	0	286.353	0.407	20	30		CCEDRM
N#Cc1cccc(C(=O)NC[C@H](C(=O)[O-])[C@@H]2CCOC2)n1	ZINC001571036241	960535424	/nfs/dbraw/zinc/53/54/24/960535424.db2.gz	WUMVJYNBSWGQEL-KOLCDFICSA-N	-1	0	289.291	0.420	20	30		CCEDRM
CC[C@@H](C#N)N(CC)C(=O)c1cn(CC(=O)[O-])nn1	ZINC001573757784	960571689	/nfs/dbraw/zinc/57/16/89/960571689.db2.gz	BMAWSOGXMHXMTC-QMMMGPOBSA-N	-1	0	265.273	0.127	20	30		CCEDRM
CN(CC(=O)[O-])Cc1cn(Cc2cccc(C#N)c2)nn1	ZINC001604113789	972514968	/nfs/dbraw/zinc/51/49/68/972514968.db2.gz	BNOUVOHDLMCUCR-UHFFFAOYSA-N	-1	0	285.307	0.714	20	30		CCEDRM
N#Cc1cc(CN2C[C@@H](O)C[C@@H]2C(=O)[O-])ccc1F	ZINC000236577039	960711293	/nfs/dbraw/zinc/71/12/93/960711293.db2.gz	MAUAJMXELJPIPW-CMPLNLGQSA-N	-1	0	264.256	0.717	20	30		CCEDRM
N#Cc1ccc(S(=O)(=O)N2C3CCC2(C(=O)[O-])CC3)o1	ZINC001571057626	960745754	/nfs/dbraw/zinc/74/57/54/960745754.db2.gz	JTNAQKUNACVAGI-UHFFFAOYSA-N	-1	0	296.304	0.922	20	30		CCEDRM
Cc1cc(C(=O)Nc2cc(C(=O)[O-])n[nH]2)ncc1C#N	ZINC001574316584	960795091	/nfs/dbraw/zinc/79/50/91/960795091.db2.gz	UTNJLNPSUPELBU-UHFFFAOYSA-N	-1	0	271.236	0.935	20	30		CCEDRM
N#Cc1c[nH]c2cc(C(=O)N3C[C@H](O)C[C@H]3C(=O)[O-])ccc12	ZINC001571067634	960858109	/nfs/dbraw/zinc/85/81/09/960858109.db2.gz	YGLVVSWLXCRBRD-MFKMUULPSA-N	-1	0	299.286	0.700	20	30		CCEDRM
CCN(C[C@@H](C)C#N)C(=O)CN(CCOC)CC(=O)[O-]	ZINC001573875446	961247170	/nfs/dbraw/zinc/24/71/70/961247170.db2.gz	RBPSGIBODZLBSJ-NSHDSACASA-N	-1	0	285.344	0.028	20	30		CCEDRM
CC(C)=CCCn1c(=O)c(C#N)cn(CC(=O)[O-])c1=O	ZINC001588797343	961403486	/nfs/dbraw/zinc/40/34/86/961403486.db2.gz	JOOGEMWSRUKDNT-UHFFFAOYSA-N	-1	0	277.280	0.323	20	30		CCEDRM
CCOC(OCC)[C@@H](C)NC(=O)[C@](C)(C#N)CC(=O)[O-]	ZINC001573908674	961471990	/nfs/dbraw/zinc/47/19/90/961471990.db2.gz	SIQYNSBAULCNSL-RNCFNFMXSA-N	-1	0	286.328	0.895	20	30		CCEDRM
CC(C)[C@H](CNC(=O)N1CCO[C@@](C)(C#N)C1)C(=O)[O-]	ZINC001588822581	961636774	/nfs/dbraw/zinc/63/67/74/961636774.db2.gz	CIKFBBQKWWCEIS-GWCFXTLKSA-N	-1	0	283.328	0.667	20	30		CCEDRM
N#C[C@@H]1CSCCN1C(=O)[C@H]1CC[C@H]1C(=O)[O-]	ZINC001574481079	961669980	/nfs/dbraw/zinc/66/99/80/961669980.db2.gz	ULBMIWHZCUWXKH-HRDYMLBCSA-N	-1	0	254.311	0.565	20	30		CCEDRM
N#Cc1ccc(C(=O)Nc2cc(C(=O)[O-])n[nH]2)cn1	ZINC001574486036	961682068	/nfs/dbraw/zinc/68/20/68/961682068.db2.gz	PCTHIGSTCWLAAM-UHFFFAOYSA-N	-1	0	257.209	0.627	20	30		CCEDRM
N#Cc1ccc(CNC(=O)[C@@H]2CC(C(=O)[O-])=NO2)c(F)c1	ZINC001574486009	961682188	/nfs/dbraw/zinc/68/21/88/961682188.db2.gz	OSCAGXDLGAHKLG-NSHDSACASA-N	-1	0	291.238	0.543	20	30		CCEDRM
N#Cc1ccc2c(c1)CC[C@H]2NC(=O)[C@H]1CC(C(=O)[O-])=NO1	ZINC001574489764	961706135	/nfs/dbraw/zinc/70/61/35/961706135.db2.gz	OKRQSZKBMWWOBP-DGCLKSJQSA-N	-1	0	299.286	0.891	20	30		CCEDRM
N#Cc1ccnc(C(=O)N2C[C@H]3COC[C@@]3(C(=O)[O-])C2)c1	ZINC001574494041	961722282	/nfs/dbraw/zinc/72/22/82/961722282.db2.gz	TZNZYAZVROEQJG-HZMBPMFUSA-N	-1	0	287.275	0.126	20	30		CCEDRM
N#Cc1cnccc1NC(=O)c1ccc(C(=O)[O-])nc1	ZINC001574494073	961724306	/nfs/dbraw/zinc/72/43/06/961724306.db2.gz	VPIQYZRQVXRNJH-UHFFFAOYSA-N	-1	0	268.232	0.721	20	30		CCEDRM
N#Cc1ncc(N2CCC[C@H](CC(=O)[O-])C2)nc1C#N	ZINC001574494090	961724528	/nfs/dbraw/zinc/72/45/28/961724528.db2.gz	WJULVHVERYLITH-SECBINFHSA-N	-1	0	271.280	0.911	20	30		CCEDRM
O=C([O-])[C@@]12COC[C@@H]1CN(C(=O)C#Cc1ccccc1)C2	ZINC001574512922	961818551	/nfs/dbraw/zinc/81/85/51/961818551.db2.gz	ZOLQSLVZPSPMCU-BBRMVZONSA-N	-1	0	285.299	0.598	20	30		CCEDRM
Cc1nc(C(=O)N[C@H]2C[C@@H](C(=O)[O-])C2)ccc1C#N	ZINC000262812081	961880006	/nfs/dbraw/zinc/88/00/06/961880006.db2.gz	ACMJGDVKTYNOEY-AOOOYVTPSA-N	-1	0	259.265	0.855	20	30		CCEDRM
C[C@H](Oc1ccccc1C#N)C(=O)N[C@@H](CF)C(=O)[O-]	ZINC000262832809	961897215	/nfs/dbraw/zinc/89/72/15/961897215.db2.gz	BLDVKMBSKJPOHF-WPRPVWTQSA-N	-1	0	280.255	0.864	20	30		CCEDRM
CN(Cc1cccc(=O)[nH]1)C(=O)[C@@](C)(C#N)CC(=O)[O-]	ZINC001574019909	961956578	/nfs/dbraw/zinc/95/65/78/961956578.db2.gz	NTFVVZAMIAFQPJ-CYBMUJFWSA-N	-1	0	277.280	0.750	20	30		CCEDRM
COC(=O)CCN(CC(=O)[O-])Cc1cc(C#N)ccn1	ZINC001574060978	962203588	/nfs/dbraw/zinc/20/35/88/962203588.db2.gz	BMUSNEXDTSCDEZ-UHFFFAOYSA-N	-1	0	277.280	0.403	20	30		CCEDRM
C#CCN(CC#C)C(=O)[C@H]1CC[C@@H](CCC(=O)[O-])O1	ZINC001573302253	962648453	/nfs/dbraw/zinc/64/84/53/962648453.db2.gz	SRBGEYTYUQNHAF-NWDGAFQWSA-N	-1	0	263.293	0.494	20	30		CCEDRM
C#C[C@@H](NC(=O)c1cc(C(=O)[O-])on1)[C@@H]1CCCO1	ZINC001573302536	962655389	/nfs/dbraw/zinc/65/53/89/962655389.db2.gz	NYKZMJOTLKMOTR-APPZFPTMSA-N	-1	0	264.237	0.283	20	30		CCEDRM
C#CCO[C@@H](C)C(=O)N[C@H]1CC[C@@H](CC(=O)[O-])C1	ZINC001573310716	962689086	/nfs/dbraw/zinc/68/90/86/962689086.db2.gz	BPOUSXNJTISZKR-AXFHLTTASA-N	-1	0	253.298	0.784	20	30		CCEDRM
C=C(C)C[C@@H](NC(=O)c1cc(C(=O)OC)no1)C(=O)[O-]	ZINC001573322385	962768970	/nfs/dbraw/zinc/76/89/70/962768970.db2.gz	XTGURXBDJXVLTP-SSDOTTSWSA-N	-1	0	282.252	0.610	20	30		CCEDRM
C=C(C)C(C)(C)C(=O)NC[C@H](CC)NC(=O)CNC(=O)[O-]	ZINC001573322451	962771552	/nfs/dbraw/zinc/77/15/52/962771552.db2.gz	ZGCBBMMPRUIWHX-JTQLQIEISA-N	-1	0	299.371	0.867	20	30		CCEDRM
C=C(CCC(=O)[O-])C(=O)N1CCc2c(n(C)[nH]c2=O)C1	ZINC001573332046	962821879	/nfs/dbraw/zinc/82/18/79/962821879.db2.gz	HHZAIKYZEXDRJD-UHFFFAOYSA-N	-1	0	279.296	0.431	20	30		CCEDRM
C=C(CCC(=O)[O-])C(=O)N1CC[C@@H](c2nncn2C)C1	ZINC001573332015	962822763	/nfs/dbraw/zinc/82/27/63/962822763.db2.gz	GURKYLFFJURWPG-SNVBAGLBSA-N	-1	0	278.312	0.552	20	30		CCEDRM
C=C(CCC(=O)[O-])C(=O)N1CCNC(=O)[C@H]1CCC	ZINC001573333179	962852480	/nfs/dbraw/zinc/85/24/80/962852480.db2.gz	XJCVETGMAQNMRU-SNVBAGLBSA-N	-1	0	268.313	0.535	20	30		CCEDRM
C=C[C@@H]1OCCC[C@H]1NC(=O)c1cc(C(=O)[O-])nn1C	ZINC001573336646	962860152	/nfs/dbraw/zinc/86/01/52/962860152.db2.gz	FKWJDWNXZGUGNU-KCJUWKMLSA-N	-1	0	279.296	0.582	20	30		CCEDRM
C=C(CCC(=O)[O-])C(=O)NCc1nnc2n1CCCC2	ZINC001573336990	962861934	/nfs/dbraw/zinc/86/19/34/962861934.db2.gz	JYVRXCJESKLJLF-UHFFFAOYSA-N	-1	0	278.312	0.652	20	30		CCEDRM
C=C(Cl)CN1CCCN(C(=O)[C@@H]2C[C@H]2C(=O)[O-])CC1	ZINC001573338727	962879232	/nfs/dbraw/zinc/87/92/32/962879232.db2.gz	HGPREQPMSJWGEM-GHMZBOCLSA-N	-1	0	286.759	0.994	20	30		CCEDRM
C=CCOC[C@H](NC(=O)c1cnn(CCC)c1C)C(=O)[O-]	ZINC001526720999	962879749	/nfs/dbraw/zinc/87/97/49/962879749.db2.gz	HFKOFPPXFDHRRC-LBPRGKRZSA-N	-1	0	295.339	0.987	20	30		CCEDRM
C=C(CCC(=O)OC)C(=O)N1CCC[C@@]1(C)C(=O)[O-]	ZINC001573338871	962881115	/nfs/dbraw/zinc/88/11/15/962881115.db2.gz	JSBLNDMEDGJKGH-ZDUSSCGKSA-N	-1	0	269.297	0.962	20	30		CCEDRM
C=C(Cl)CN(C)[C@@H]1CCN(C(=O)CNC(=O)[O-])C1	ZINC001573338784	962881905	/nfs/dbraw/zinc/88/19/05/962881905.db2.gz	IPGYIEAJQXQAHJ-SECBINFHSA-N	-1	0	275.736	0.539	20	30		CCEDRM
C=C(Cl)CN1CC[C@H](N(CC)C(=O)CNC(=O)[O-])C1	ZINC001573338982	962883935	/nfs/dbraw/zinc/88/39/35/962883935.db2.gz	LPGHZPNDYKHDJZ-JTQLQIEISA-N	-1	0	289.763	0.929	20	30		CCEDRM
C=C(Cl)C[NH2+][C@H]1C[C@@H](NC(=O)CNC(=O)[O-])C1	ZINC001573344142	962912384	/nfs/dbraw/zinc/91/23/84/962912384.db2.gz	PKYUITAGDAGAAX-OCAPTIKFSA-N	-1	0	261.709	0.243	20	30		CCEDRM
C=C(Cl)CN1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1C[C@@H]1C(=O)[O-]	ZINC001573344310	962916273	/nfs/dbraw/zinc/91/62/73/962916273.db2.gz	SMBHVIDSHVDTII-XXFSISAASA-N	-1	0	284.743	0.506	20	30		CCEDRM
N#CCSCC(=O)N1C[C@@H]2CCC[C@H]2[C@H]1C(=O)[O-]	ZINC000299946730	962950194	/nfs/dbraw/zinc/95/01/94/962950194.db2.gz	SNXKFKQWGGFCPW-NGZCFLSTSA-N	-1	0	268.338	0.955	20	30		CCEDRM
C=C[C@@](C)(O)CC(=O)N1C[C@@H](C)O[C@H](C(=O)[O-])C1	ZINC001573347973	962954103	/nfs/dbraw/zinc/95/41/03/962954103.db2.gz	QRWDEAAMEUUDMW-VDDIYKPWSA-N	-1	0	257.286	0.014	20	30		CCEDRM
C=CCC(F)(F)C(=O)N[C@H](CC1OCCO1)C(=O)[O-]	ZINC001573350052	962962300	/nfs/dbraw/zinc/96/23/00/962962300.db2.gz	AHAGIDOWCCLKJI-SSDOTTSWSA-N	-1	0	279.239	0.530	20	30		CCEDRM
C=CCCC(=O)N1CCC[C@H](NC(=O)CNC(=O)[O-])CC1	ZINC001573353172	962997464	/nfs/dbraw/zinc/99/74/64/962997464.db2.gz	QHHFOURVPJEBRN-NSHDSACASA-N	-1	0	297.355	0.718	20	30		CCEDRM
CC(=O)N[C@@H](C[S@@](=O)Cc1ccc(C#N)cc1)C(=O)[O-]	ZINC000300450860	963011357	/nfs/dbraw/zinc/01/13/57/963011357.db2.gz	ZTVNWPMXGOXJRR-YUNKPMOVSA-N	-1	0	294.332	0.396	20	30		CCEDRM
C#C[C@@H](NC(=O)N1CCO[C@@H](CC(=O)[O-])C1)C(C)C	ZINC000302324466	963073784	/nfs/dbraw/zinc/07/37/84/963073784.db2.gz	KCCPHMPUZNGOCN-WDEREUQCSA-N	-1	0	268.313	0.529	20	30		CCEDRM
N#Cc1cncc(N2CC(c3cc(C(=O)[O-])n[nH]3)C2)n1	ZINC001570994106	963171678	/nfs/dbraw/zinc/17/16/78/963171678.db2.gz	JGXLRPIXSYDOJJ-UHFFFAOYSA-N	-1	0	270.252	0.373	20	30		CCEDRM
N#CC1(C(=O)[O-])CCN(C(=O)[C@@H]2C[C@]23CCOC3)CC1	ZINC001571009524	963271244	/nfs/dbraw/zinc/27/12/44/963271244.db2.gz	ODPHKHUZQLFLFW-HZMBPMFUSA-N	-1	0	278.308	0.630	20	30		CCEDRM
N#CC1(CNS(=O)(=O)c2cc(C(=O)[O-])[nH]n2)CCC1	ZINC001571023542	963351407	/nfs/dbraw/zinc/35/14/07/963351407.db2.gz	UAHSAZSSIRJFOM-UHFFFAOYSA-N	-1	0	284.297	0.080	20	30		CCEDRM
C=C[C@@H](C(=O)[O-])N1CCn2c(nnc2C(F)(F)F)C1	ZINC000311609874	963496216	/nfs/dbraw/zinc/49/62/16/963496216.db2.gz	DRGBLMSKOBIZHC-LURJTMIESA-N	-1	0	276.218	0.752	20	30		CCEDRM
CC(C)(CC#N)CNS(=O)(=O)c1n[nH]cc1C(=O)[O-]	ZINC000315448557	963903275	/nfs/dbraw/zinc/90/32/75/963903275.db2.gz	RMYHPZGIYHQEPY-UHFFFAOYSA-N	-1	0	286.313	0.326	20	30		CCEDRM
C#CCCCC(=O)NC1(CNC(=O)[C@@H]2C[C@H]2C(=O)[O-])CC1	ZINC001588435272	964019555	/nfs/dbraw/zinc/01/95/55/964019555.db2.gz	IZXRGCPCTYDIRP-GHMZBOCLSA-N	-1	0	292.335	0.276	20	30		CCEDRM
C#CCCCC(=O)N(CC)CCNC(=O)[C@H]1C[C@@H]1C(=O)[O-]	ZINC001588435282	964019643	/nfs/dbraw/zinc/01/96/43/964019643.db2.gz	JCWJUPLKWUAJDH-RYUDHWBXSA-N	-1	0	294.351	0.475	20	30		CCEDRM
C#CCC[C@H](O)CNC(=O)Nc1cccc(C(=O)[O-])n1	ZINC001588435428	964022779	/nfs/dbraw/zinc/02/27/79/964022779.db2.gz	PSAPVHHRWYECRG-VIFPVBQESA-N	-1	0	277.280	0.676	20	30		CCEDRM
C#CCCCC(=O)N(C)CCNC(=O)[C@@H]1C[C@@H]1C(=O)[O-]	ZINC001588435444	964022907	/nfs/dbraw/zinc/02/29/07/964022907.db2.gz	QIRFVZDOISEWCY-MNOVXSKESA-N	-1	0	280.324	0.085	20	30		CCEDRM
C#Cc1ccc(NC(=O)C(=O)NCCCC(=O)[O-])cc1	ZINC001588439269	964027770	/nfs/dbraw/zinc/02/77/70/964027770.db2.gz	QDEAMWJYSVPHKM-UHFFFAOYSA-N	-1	0	274.276	0.587	20	30		CCEDRM
C#CCCCS(=O)(=O)NCc1cc(C(=O)[O-])c(C)n1C	ZINC001588446840	964078829	/nfs/dbraw/zinc/07/88/29/964078829.db2.gz	MFJWRZKOKUULPG-UHFFFAOYSA-N	-1	0	298.364	0.865	20	30		CCEDRM
C#CCN(CC(=O)[O-])Cc1nnc(C(C)(C)C)o1	ZINC000092484634	967597149	/nfs/dbraw/zinc/59/71/49/967597149.db2.gz	JWKVAHLTBSCSMD-UHFFFAOYSA-N	-1	0	251.286	0.887	20	30		CCEDRM
C#CCN(CC(=O)[O-])C(=O)N[C@@H]1COc2ccccc2C1	ZINC000328333257	968052241	/nfs/dbraw/zinc/05/22/41/968052241.db2.gz	JSYRFNKMUVPQLK-LBPRGKRZSA-N	-1	0	288.303	0.720	20	30		CCEDRM
C=CCN1CCN(CN(CCC)CC(=O)[O-])C1=O	ZINC001609636828	970429952	/nfs/dbraw/zinc/42/99/52/970429952.db2.gz	JPOAJBGNIVBITR-UHFFFAOYSA-N	-1	0	255.318	0.664	20	30		CCEDRM
C[C@@](C#N)(CC(=O)[O-])C(=O)NCc1nc2cccnc2[nH]1	ZINC001609693066	970453792	/nfs/dbraw/zinc/45/37/92/970453792.db2.gz	SKSLQVYAGOUXRO-ZDUSSCGKSA-N	-1	0	287.279	0.579	20	30		CCEDRM
C[C@H](c1nc([C@H](C)C(=O)[O-])no1)n1cnc(C#N)n1	ZINC001609718508	970498972	/nfs/dbraw/zinc/49/89/72/970498972.db2.gz	UWQVEZKLQSQVAU-NTSWFWBYSA-N	-1	0	262.229	0.330	20	30		CCEDRM
C=CC[C@H](CO)NS(=O)(=O)c1ccsc1C(=O)[O-]	ZINC000320170889	970624377	/nfs/dbraw/zinc/62/43/77/970624377.db2.gz	QPLQJPGRGQIKGD-SSDOTTSWSA-N	-1	0	291.350	0.662	20	30		CCEDRM
CC[C@]1(C)NC(=O)N(N=CCCCC(=O)[O-])C1=O	ZINC001610184948	970694609	/nfs/dbraw/zinc/69/46/09/970694609.db2.gz	SECOXJGLGJAFJG-NSHDSACASA-N	-1	0	255.274	0.948	20	30		CCEDRM
CC1(C)C[C@@]1(C(=O)[O-])C(=O)NC1CCN(CC#N)CC1	ZINC001603322970	972653944	/nfs/dbraw/zinc/65/39/44/972653944.db2.gz	RXYSIVFHSVBMTR-AWEZNQCLSA-N	-1	0	279.340	0.591	20	30		CCEDRM
Cc1cc(C#N)cnc1C(=O)Nc1c[nH]nc1C(=O)[O-]	ZINC001605101833	972753815	/nfs/dbraw/zinc/75/38/15/972753815.db2.gz	HAFSNCGZTNGIPH-UHFFFAOYSA-N	-1	0	271.236	0.935	20	30		CCEDRM
C#CC[C@H](NS(=O)(=O)Cc1ccccc1F)C(=O)[O-]	ZINC000396559140	972915999	/nfs/dbraw/zinc/91/59/99/972915999.db2.gz	WXZFJNOQHGCMLZ-NSHDSACASA-N	-1	0	285.296	0.722	20	30		CCEDRM
N#CCSc1ccccc1C(=O)NC[C@@H](O)CC(=O)[O-]	ZINC000398273203	973101468	/nfs/dbraw/zinc/10/14/68/973101468.db2.gz	RBXCKHDLQLTVTH-VIFPVBQESA-N	-1	0	294.332	0.868	20	30		CCEDRM
O=C([O-])CCNN=Cc1ccc2c(c1)NC(=O)CO2	ZINC001606201277	973449914	/nfs/dbraw/zinc/44/99/14/973449914.db2.gz	FEAPJGBQJYVBJQ-UHFFFAOYSA-N	-1	0	263.253	0.416	20	30		CCEDRM
CC[C@@H](CC#N)OC(=O)[C@H]1CCCN(CC(=O)[O-])C1=O	ZINC001603515869	973524441	/nfs/dbraw/zinc/52/44/41/973524441.db2.gz	IODWFRHGEWJFCT-UWVGGRQHSA-N	-1	0	282.296	0.545	20	30		CCEDRM
C=CC[C@H](CC)NC(=O)N1C[C@H](C(=O)[O-])C[C@H](O)C1	ZINC000401972517	973578758	/nfs/dbraw/zinc/57/87/58/973578758.db2.gz	OKDAPKOAZNAJKJ-VWYCJHECSA-N	-1	0	270.329	0.818	20	30		CCEDRM
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CC(C)[C@H](C#N)NC(=O)Cn1cccc(C(=O)[O-])c1=O	ZINC001591852300	976135229	/nfs/dbraw/zinc/13/52/29/976135229.db2.gz	IIWCVXLBCIRQOO-JTQLQIEISA-N	-1	0	277.280	0.211	20	30		CCEDRM
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C#CCO[C@H](C)C(=O)NC(C)(C)c1nocc1C(=O)[O-]	ZINC001588490596	983533292	/nfs/dbraw/zinc/53/32/92/983533292.db2.gz	QRXLGBIQTMMIMH-MRVPVSSYSA-N	-1	0	280.280	0.762	20	30		CCEDRM
C#Cc1ccc(C(=O)N2CC(=O)N(C)C[C@H]2C(=O)[O-])cc1	ZINC001588510848	983557329	/nfs/dbraw/zinc/55/73/29/983557329.db2.gz	MCQVUHJKPLRHLA-LBPRGKRZSA-N	-1	0	286.287	0.035	20	30		CCEDRM
C=C(C)C(C)(C)C(=O)NCCCNC(=O)[C@H]1C[C@H]1C(=O)[O-]	ZINC001588530006	983583059	/nfs/dbraw/zinc/58/30/59/983583059.db2.gz	OULKGNXLJLTWDN-WDEREUQCSA-N	-1	0	296.367	0.932	20	30		CCEDRM
C=C(C)C[C@@H](NC(=O)c1cccc(C(=O)NC)n1)C(=O)[O-]	ZINC001588548632	983624784	/nfs/dbraw/zinc/62/47/84/983624784.db2.gz	RWQKNBLEJJYGQF-LLVKDONJSA-N	-1	0	291.307	0.590	20	30		CCEDRM
CCN(C[C@@H](C)C#N)C(=O)Cn1ccc(C(=O)[O-])n1	ZINC001596230987	983625393	/nfs/dbraw/zinc/62/53/93/983625393.db2.gz	FLPOSOSLTAKIKP-VIFPVBQESA-N	-1	0	264.285	0.589	20	30		CCEDRM
C=C(C)C[C@H](NC(C)=O)C(=O)N1CC[C@H](C(=O)[O-])[C@H]1C	ZINC001588548965	983625989	/nfs/dbraw/zinc/62/59/89/983625989.db2.gz	ZXXIGCPLZFJZIB-USWWRNFRSA-N	-1	0	282.340	0.779	20	30		CCEDRM
C=C(CCC(=O)[O-])C(=O)N(C)C1(C(N)=O)CCCC1	ZINC001588607139	983700278	/nfs/dbraw/zinc/70/02/78/983700278.db2.gz	UOECXBMHKMQXKX-UHFFFAOYSA-N	-1	0	268.313	0.664	20	30		CCEDRM
C=C(CCC(=O)[O-])C(=O)N1CCO[C@H](COC)C1	ZINC001588619227	983715536	/nfs/dbraw/zinc/71/55/36/983715536.db2.gz	OLTNTIRHWTWCGP-JTQLQIEISA-N	-1	0	257.286	0.281	20	30		CCEDRM
C=C(CCC(=O)[O-])C(=O)N[C@H](CO)Cc1ccncc1	ZINC001588621565	983720166	/nfs/dbraw/zinc/72/01/66/983720166.db2.gz	GSBJMWIKRCIEBZ-LBPRGKRZSA-N	-1	0	278.308	0.522	20	30		CCEDRM
C=C(CCC(=O)[O-])C(=O)N[C@]1(C#N)CCSC1	ZINC001588621946	983721475	/nfs/dbraw/zinc/72/14/75/983721475.db2.gz	MMXZYOABPQSZHW-NSHDSACASA-N	-1	0	254.311	0.923	20	30		CCEDRM
C=C(CCC(=O)[O-])C(=O)NCC(C)(C)OCCO	ZINC001588622695	983724599	/nfs/dbraw/zinc/72/45/99/983724599.db2.gz	CLYOFGYGANMKCQ-UHFFFAOYSA-N	-1	0	259.302	0.311	20	30		CCEDRM
C=C(CCC(=O)[O-])C(=O)NC[C@@H](C(=O)OC)[C@@H]1CCOC1	ZINC001588622954	983725842	/nfs/dbraw/zinc/72/58/42/983725842.db2.gz	HKGXYELECCWWAR-GHMZBOCLSA-N	-1	0	299.323	0.349	20	30		CCEDRM
C=C(CCC(=O)[O-])C(=O)NCCS(=O)(=O)C1CC1	ZINC001588624225	983730570	/nfs/dbraw/zinc/73/05/70/983730570.db2.gz	AVMCKNXSCSQDLP-UHFFFAOYSA-N	-1	0	275.326	0.101	20	30		CCEDRM
C=C(CCC(=O)[O-])C(=O)NCc1nnc(C)n1C	ZINC001588630241	983742241	/nfs/dbraw/zinc/74/22/41/983742241.db2.gz	VFZAPKPNYNWKRR-UHFFFAOYSA-N	-1	0	252.274	0.161	20	30		CCEDRM
C=C(CCC(=O)OC)C(=O)N[C@@H](C[C@H]1CCCO1)C(=O)[O-]	ZINC001588633950	983751248	/nfs/dbraw/zinc/75/12/48/983751248.db2.gz	UTKDEOOLBKKGNM-MNOVXSKESA-N	-1	0	299.323	0.634	20	30		CCEDRM
C=C(CCC(=O)OC)C(=O)NC1(C(=O)[O-])CCC1	ZINC001588634078	983752201	/nfs/dbraw/zinc/75/22/01/983752201.db2.gz	WDBCIHBDERIAFK-UHFFFAOYSA-N	-1	0	255.270	0.619	20	30		CCEDRM
C=C(Cl)C[C@H]1NC(=O)N([C@H]2C[C@@H](C(=O)[O-])C2)C1=O	ZINC001588641779	983763131	/nfs/dbraw/zinc/76/31/31/983763131.db2.gz	IRRQCPPAKPEPRN-GJMOJQLCSA-N	-1	0	272.688	0.913	20	30		CCEDRM
C=C(Cl)CNC(=O)NCCC(=O)NCCC(=O)[O-]	ZINC001588641993	983764103	/nfs/dbraw/zinc/76/41/03/983764103.db2.gz	OCLKYZUTCJWGPX-UHFFFAOYSA-N	-1	0	277.708	0.019	20	30		CCEDRM
C=C[C@@H](C(=O)NCC(=O)NCC(=O)[O-])c1ccccc1	ZINC001588664926	983806484	/nfs/dbraw/zinc/80/64/84/983806484.db2.gz	ZTURVCDLXNCZJI-LLVKDONJSA-N	-1	0	276.292	0.273	20	30		CCEDRM
C=C[C@H](C(=O)OC)N1CCC2(C[C@H]2C(=O)[O-])CC1	ZINC001588671727	983822092	/nfs/dbraw/zinc/82/20/92/983822092.db2.gz	HJTNINNPOMQVTC-VHSXEESVSA-N	-1	0	253.298	0.901	20	30		CCEDRM
C=C[C@H](C(=O)[O-])n1cc(CCNCC(F)(F)F)nn1	ZINC001588672793	983826784	/nfs/dbraw/zinc/82/67/84/983826784.db2.gz	YQFKIALOSHSCTC-MRVPVSSYSA-N	-1	0	278.234	0.784	20	30		CCEDRM
C=C[C@](C)(O)C(=O)Nc1ccc(C(=O)[O-])c(O)c1	ZINC001588683007	983846923	/nfs/dbraw/zinc/84/69/23/983846923.db2.gz	SYMXFKBBFSUEDW-LBPRGKRZSA-N	-1	0	251.238	0.966	20	30		CCEDRM
C=C[C@](C)(O)CC(=O)NCCc1ncc(C(=O)[O-])s1	ZINC001588683749	983850633	/nfs/dbraw/zinc/85/06/33/983850633.db2.gz	DEMLTELAUUFJNU-LBPRGKRZSA-N	-1	0	284.337	0.827	20	30		CCEDRM
C=C[C@](C)(O)CC(=O)N[C@H](C(=O)[O-])c1cccnc1	ZINC001588684333	983858392	/nfs/dbraw/zinc/85/83/92/983858392.db2.gz	OWLLXQGOLCCIPT-AAEUAGOBSA-N	-1	0	264.281	0.651	20	30		CCEDRM
C=C[C@@H](NCC(=O)N1CCc2ccccc21)C(=O)[O-]	ZINC001588696791	983904175	/nfs/dbraw/zinc/90/41/75/983904175.db2.gz	RFFBDIVVJGQVHG-LLVKDONJSA-N	-1	0	260.293	0.805	20	30		CCEDRM
CCN(OC)C(=O)CNc1ccc(C(=O)[O-])nc1C#N	ZINC001596384503	983911394	/nfs/dbraw/zinc/91/13/94/983911394.db2.gz	VZKIAPWJNIDTFP-UHFFFAOYSA-N	-1	0	278.268	0.473	20	30		CCEDRM
C=C[C@@H](Nc1ccn(CC(=O)OCC)n1)C(=O)[O-]	ZINC001588702178	983918842	/nfs/dbraw/zinc/91/88/42/983918842.db2.gz	LPKNDGKNLBGUBB-MRVPVSSYSA-N	-1	0	253.258	0.497	20	30		CCEDRM
C=C[C@H](O)C(=O)N(CCC(=O)[O-])CC(=O)OC(C)(C)C	ZINC001588702409	983920273	/nfs/dbraw/zinc/92/02/73/983920273.db2.gz	SELXFOQEJQJGKK-VIFPVBQESA-N	-1	0	287.312	0.178	20	30		CCEDRM
C=C[C@H](O)C(=O)NCCOc1ccc(C(=O)[O-])cc1	ZINC001588704085	983923063	/nfs/dbraw/zinc/92/30/63/983923063.db2.gz	BTDCDAIREWQABM-NSHDSACASA-N	-1	0	265.265	0.427	20	30		CCEDRM
C=C[C@H](O)c1nnc(N2C[C@@H](C)[C@H](C(=O)[O-])C2)n1CC	ZINC001588704962	983925555	/nfs/dbraw/zinc/92/55/55/983925555.db2.gz	JEAGUUXZFPJIMO-BBBLOLIVSA-N	-1	0	280.328	0.674	20	30		CCEDRM
C=C[C@H](OC(=O)[C@@H]1COCCN1CC(F)F)C(=O)[O-]	ZINC001588710986	983935411	/nfs/dbraw/zinc/93/54/11/983935411.db2.gz	KWWHKJVMYKUNTM-YUMQZZPRSA-N	-1	0	279.239	0.135	20	30		CCEDRM
C=C[C@H](OC(=O)Cc1ncccc1OC)C(=O)[O-]	ZINC001588711105	983936144	/nfs/dbraw/zinc/93/61/44/983936144.db2.gz	LVGLFDQFQREORZ-VIFPVBQESA-N	-1	0	251.238	0.815	20	30		CCEDRM
C=C[C@@H](OC(=O)[C@H]1CCc2ncncc2C1)C(=O)[O-]	ZINC001588711280	983936899	/nfs/dbraw/zinc/93/68/99/983936899.db2.gz	NRQPMYABABGNTH-GZMMTYOYSA-N	-1	0	262.265	0.764	20	30		CCEDRM
C=C[C@H](OC(=O)CN1C(=O)[C@@H]2CC=CC[C@@H]2C1=O)C(=O)[O-]	ZINC001588711384	983937375	/nfs/dbraw/zinc/93/73/75/983937375.db2.gz	OITOOQWZOGLYOX-AEJSXWLSSA-N	-1	0	293.275	0.120	20	30		CCEDRM
C=C[C@@H](OC(=O)c1cc(Br)n(C)n1)C(=O)[O-]	ZINC001588712064	983941617	/nfs/dbraw/zinc/94/16/17/983941617.db2.gz	GAMQIUVOBIBJLQ-ZCFIWIBFSA-N	-1	0	289.085	0.979	20	30		CCEDRM
C=C[C@@H](OC(=O)c1cc2n(n1)CCCO2)C(=O)[O-]	ZINC001588712476	983944269	/nfs/dbraw/zinc/94/42/69/983944269.db2.gz	LZLYQVYAXSECRX-MRVPVSSYSA-N	-1	0	252.226	0.462	20	30		CCEDRM
C=C[C@H](OC(=O)c1cc(S(C)(=O)=O)oc1C)C(=O)[O-]	ZINC001588712634	983945473	/nfs/dbraw/zinc/94/54/73/983945473.db2.gz	MUJSLEQMDOUYLS-QMMMGPOBSA-N	-1	0	288.277	0.788	20	30		CCEDRM
C=C[C@@H](OC(=O)c1ccc(C(=O)[O-])[nH]1)C(=O)OCC	ZINC001588712837	983946312	/nfs/dbraw/zinc/94/63/12/983946312.db2.gz	OABUKFZTBIFDEL-SECBINFHSA-N	-1	0	267.237	0.987	20	30		CCEDRM
C=CCC(F)(F)C(=O)N[C@@]1(CC(=O)[O-])CCOC1	ZINC001588742327	984031760	/nfs/dbraw/zinc/03/17/60/984031760.db2.gz	ATWBBPYPMDSIRU-SNVBAGLBSA-N	-1	0	263.240	0.948	20	30		CCEDRM
C=CC[C@H](CO)NC(=O)N[C@H]1CC[C@@H](CC(=O)[O-])C1	ZINC001588745259	984050045	/nfs/dbraw/zinc/05/00/45/984050045.db2.gz	WQPCTCMEZYDXSL-OUAUKWLOSA-N	-1	0	270.329	0.866	20	30		CCEDRM
C=CC[C@@H](OC(=O)[C@]1(COC)CCOC1)C(=O)[O-]	ZINC001588750944	984074844	/nfs/dbraw/zinc/07/48/44/984074844.db2.gz	ILCFVVICCFPULQ-SKDRFNHKSA-N	-1	0	258.270	0.612	20	30		CCEDRM
C=CC[C@H](OC(=O)[C@@H]1CCN(C)C(=O)C1)C(=O)[O-]	ZINC001588753603	984087482	/nfs/dbraw/zinc/08/74/82/984087482.db2.gz	KNPNPTIJWXLSAV-BDAKNGLRSA-N	-1	0	255.270	0.427	20	30		CCEDRM
C=CC[C@H](OC(=O)c1ccc(C(=O)NC)nc1)C(=O)[O-]	ZINC001588757042	984100751	/nfs/dbraw/zinc/10/07/51/984100751.db2.gz	SXBIKIIVXGRKAF-JTQLQIEISA-N	-1	0	278.264	0.627	20	30		CCEDRM
C=CC[C@@H](OC(=O)c1cnc2c(c1)nnn2C)C(=O)[O-]	ZINC001588758440	984105890	/nfs/dbraw/zinc/10/58/90/984105890.db2.gz	GJHNSBBDDVWJHD-SECBINFHSA-N	-1	0	276.252	0.549	20	30		CCEDRM
C=CC[C@@H](Sc1nnc(N2CCOCC2)n1C)C(=O)[O-]	ZINC001588762262	984115497	/nfs/dbraw/zinc/11/54/97/984115497.db2.gz	HOCABVKQCAXZTO-SECBINFHSA-N	-1	0	298.368	0.773	20	30		CCEDRM
C=CCC1(C(=O)NCCNC(=O)[C@H]2C[C@H]2C(=O)[O-])CCC1	ZINC001588764515	984122047	/nfs/dbraw/zinc/12/20/47/984122047.db2.gz	CEODYKCQGFEMSM-WDEREUQCSA-N	-1	0	294.351	0.686	20	30		CCEDRM
C=CCC[C@@H](CO)NC(=O)CC[C@@H]1C[C@H](C(=O)[O-])CO1	ZINC001588778203	984159853	/nfs/dbraw/zinc/15/98/53/984159853.db2.gz	XNUNLLXFSVFTLS-SDDRHHMPSA-N	-1	0	285.340	0.700	20	30		CCEDRM
C=CCCC[C@H](NC(=O)C1(NC(N)=O)CC1)C(=O)[O-]	ZINC001588789765	984201056	/nfs/dbraw/zinc/20/10/56/984201056.db2.gz	JHCIGWOXENKLSP-QMMMGPOBSA-N	-1	0	269.301	0.113	20	30		CCEDRM
C=CCCC[C@H](NC(=O)[C@H]1CN(C(C)=O)CCO1)C(=O)[O-]	ZINC001588790275	984205099	/nfs/dbraw/zinc/20/50/99/984205099.db2.gz	UQFPNEZAODDULB-NWDGAFQWSA-N	-1	0	298.339	0.159	20	30		CCEDRM
C=CCCC[C@@H](NC(=O)C[C@H](C)NC(N)=O)C(=O)[O-]	ZINC001588790259	984205294	/nfs/dbraw/zinc/20/52/94/984205294.db2.gz	UIGJXPNSKDRYSM-DTWKUNHWSA-N	-1	0	271.317	0.359	20	30		CCEDRM
C=CCCC[C@@H](NC(=O)[C@@H](NC(N)=O)C(C)C)C(=O)[O-]	ZINC001588794566	984227951	/nfs/dbraw/zinc/22/79/51/984227951.db2.gz	YRJCDQVYEHRKCP-ZJUUUORDSA-N	-1	0	285.344	0.605	20	30		CCEDRM
C=CCCC[C@H](NC(=O)c1[nH]ncc1[N+](=O)[O-])C(=O)[O-]	ZINC001588797880	984231810	/nfs/dbraw/zinc/23/18/10/984231810.db2.gz	MXYFPORFHUCFHP-ZETCQYMHSA-N	-1	0	282.256	0.857	20	30		CCEDRM
C=CCCCNC(=O)C(=O)N[C@H]1CC=C(C(=O)[O-])C1	ZINC001588803724	984251738	/nfs/dbraw/zinc/25/17/38/984251738.db2.gz	GRUNGHFIWFJNMA-JTQLQIEISA-N	-1	0	266.297	0.358	20	30		CCEDRM
C=CCCNC(=O)C(=O)Nc1ccc(CC(=O)[O-])cc1	ZINC001588807438	984259984	/nfs/dbraw/zinc/25/99/84/984259984.db2.gz	KRXIJEPXLDUUNV-UHFFFAOYSA-N	-1	0	276.292	0.945	20	30		CCEDRM
C=CCCOCCNC(=O)N1CCC(C#N)(C(=O)[O-])CC1	ZINC001588813059	984269270	/nfs/dbraw/zinc/26/92/70/984269270.db2.gz	HQJSMQYVNNXIIZ-UHFFFAOYSA-N	-1	0	295.339	0.979	20	30		CCEDRM
C=CCCON1C(=O)[C@H]2CC[C@H](C(=O)[O-])CN2C1=O	ZINC001588813357	984269529	/nfs/dbraw/zinc/26/95/29/984269529.db2.gz	PTZYUIHVZHWJOP-DTWKUNHWSA-N	-1	0	268.269	0.622	20	30		CCEDRM
C=CCCOCCn1nnnc1N1CC[C@@H](C(=O)[O-])[C@H]1C	ZINC001588813371	984269759	/nfs/dbraw/zinc/26/97/59/984269759.db2.gz	QGVIEMPIAFILNE-GHMZBOCLSA-N	-1	0	295.343	0.565	20	30		CCEDRM
C=CCCn1cc(C(=O)OC2CC(C(=O)[O-])C2)nn1	ZINC001588817359	984275966	/nfs/dbraw/zinc/27/59/66/984275966.db2.gz	IVOIYNPCNFDSJY-UHFFFAOYSA-N	-1	0	265.269	0.874	20	30		CCEDRM
C=CCN(C)Cn1nc(C(=O)[O-])c2c(C)onc2c1=O	ZINC001588822320	984288259	/nfs/dbraw/zinc/28/82/59/984288259.db2.gz	GRDWWMFYXBTIPO-UHFFFAOYSA-N	-1	0	278.268	0.466	20	30		CCEDRM
C=CCN(C)C(=O)C(=O)N[C@H](C)c1ncc(C(=O)[O-])s1	ZINC001588822380	984289224	/nfs/dbraw/zinc/28/92/24/984289224.db2.gz	JNFHYCDVVBCXNA-SSDOTTSWSA-N	-1	0	297.336	0.663	20	30		CCEDRM
C=CCN(CC=C)C(=O)CN[C@H](C(=O)[O-])c1ccnn1C	ZINC001588825553	984301741	/nfs/dbraw/zinc/30/17/41/984301741.db2.gz	UCWVEVILLGVURA-ZDUSSCGKSA-N	-1	0	292.339	0.336	20	30		CCEDRM
C=CCN1CC[C@@H](n2cc([N+](=O)[O-])c(C(=O)[O-])n2)C1=O	ZINC001588838252	984336597	/nfs/dbraw/zinc/33/65/97/984336597.db2.gz	CSLUGHNCRLZSLV-SSDOTTSWSA-N	-1	0	280.240	0.449	20	30		CCEDRM
C=CCNC(=O)[C@H](C)OC(=O)[C@H]1CC[C@H]1C(=O)[O-]	ZINC001588838625	984340295	/nfs/dbraw/zinc/34/02/95/984340295.db2.gz	HJARJFIVJCJTQV-YIZRAAEISA-N	-1	0	255.270	0.331	20	30		CCEDRM
C=CCN1CCN(C[N@H+](CC)CCC(=O)[O-])C1=O	ZINC001588839488	984346949	/nfs/dbraw/zinc/34/69/49/984346949.db2.gz	RJJBEFNQFTVXHW-UHFFFAOYSA-N	-1	0	255.318	0.664	20	30		CCEDRM
C=CCN1CC[C@@H](N(C)Cc2cccc(C(=O)[O-])n2)C1=O	ZINC001588839434	984347044	/nfs/dbraw/zinc/34/70/44/984347044.db2.gz	RHUVPXHHLGWETD-CYBMUJFWSA-N	-1	0	289.335	0.999	20	30		CCEDRM
C=CCOCC(=O)N1CC[C@@]2(CC(C(=O)[O-])=NO2)C1	ZINC001588849714	984374466	/nfs/dbraw/zinc/37/44/66/984374466.db2.gz	HFLROIVNJZKYJE-GFCCVEGCSA-N	-1	0	268.269	0.021	20	30		CCEDRM
C=CCOC[C@H](NC(=O)C(=O)N1CCC[C@@H](C)C1)C(=O)[O-]	ZINC001588851096	984383007	/nfs/dbraw/zinc/38/30/07/984383007.db2.gz	UFJJKRIMKYIWOP-MNOVXSKESA-N	-1	0	298.339	0.017	20	30		CCEDRM
C=CCOC[C@H](NC(=O)[C@@H]1CCN1C(C)(C)C)C(=O)[O-]	ZINC001588855667	984394430	/nfs/dbraw/zinc/39/44/30/984394430.db2.gz	NNHDLISIZFSYJD-QWRGUYRKSA-N	-1	0	284.356	0.631	20	30		CCEDRM
C=CCOC[C@@H](NC(=O)c1cc(C=O)n(C)c1)C(=O)[O-]	ZINC001588859521	984406534	/nfs/dbraw/zinc/40/65/34/984406534.db2.gz	OGMYPHHPNFNUJO-LLVKDONJSA-N	-1	0	280.280	0.223	20	30		CCEDRM
C=CCOC[C@H](NC(=O)c1cc(N)ccn1)C(=O)[O-]	ZINC001588859713	984407378	/nfs/dbraw/zinc/40/73/78/984407378.db2.gz	USDGIIXDCNHQJY-JTQLQIEISA-N	-1	0	265.269	0.049	20	30		CCEDRM
C=CCOC[C@H](NC(=O)c1cnn(C(C)C)c1N)C(=O)[O-]	ZINC001588859967	984409779	/nfs/dbraw/zinc/40/97/79/984409779.db2.gz	DCNSNBOLCHUQIK-JTQLQIEISA-N	-1	0	296.327	0.432	20	30		CCEDRM
C=CCOC[C@@H](NC(=O)c1cnn(CCF)c1)C(=O)[O-]	ZINC001588860596	984413994	/nfs/dbraw/zinc/41/39/94/984413994.db2.gz	ZUGGOUMORKKVTJ-SNVBAGLBSA-N	-1	0	285.275	0.238	20	30		CCEDRM
C=CCOCCn1cc(CN2CCCC[C@H]2C(=O)[O-])nn1	ZINC001588868613	984434438	/nfs/dbraw/zinc/43/44/38/984434438.db2.gz	MRAJUXJEXIWDAM-ZDUSSCGKSA-N	-1	0	294.355	0.920	20	30		CCEDRM
C=CCSCCNS(=O)(=O)CC1(C(=O)[O-])CC1	ZINC001588879504	984457790	/nfs/dbraw/zinc/45/77/90/984457790.db2.gz	BCNNNFDHCPRPOC-UHFFFAOYSA-N	-1	0	279.383	0.690	20	30		CCEDRM
C=CCn1c(N2C[C@@H](C)[C@H](C(=O)[O-])C2)nnc1C1(O)CC1	ZINC001588904925	984533788	/nfs/dbraw/zinc/53/37/88/984533788.db2.gz	IQIRZKASRLFZMI-NXEZZACHSA-N	-1	0	292.339	0.602	20	30		CCEDRM
C=CCn1cc(C(=O)OCc2nc(C(=O)[O-])cs2)nn1	ZINC001588909457	984544216	/nfs/dbraw/zinc/54/42/16/984544216.db2.gz	VHVHPTSIDKEEPF-UHFFFAOYSA-N	-1	0	294.292	0.976	20	30		CCEDRM
C=C[C@@H]1OCCC[C@H]1NC(=O)N1CC[C@@](OC)(C(=O)[O-])C1	ZINC001588913504	984555756	/nfs/dbraw/zinc/55/57/56/984555756.db2.gz	FSMUCOOIZHQROY-SUNKGSAMSA-N	-1	0	298.339	0.605	20	30		CCEDRM
C=C[C@@H]1OCC[C@H]1CNC(=O)N1CCO[C@H](CC(=O)[O-])C1	ZINC001588917998	984568617	/nfs/dbraw/zinc/56/86/17/984568617.db2.gz	OPJULFPDJXEURR-TUAOUCFPSA-N	-1	0	298.339	0.463	20	30		CCEDRM
C=C[C@@H]1OCC[C@H]1CNC(=O)N1C[C@H]2[C@H](C(=O)[O-])[C@H]2C1	ZINC001588917967	984568686	/nfs/dbraw/zinc/56/86/86/984568686.db2.gz	MYOAWRRTUUKNDW-HHHUOAJASA-N	-1	0	280.324	0.550	20	30		CCEDRM
C=C[C@H](CO)N[C@H]1CCN(c2sccc2C(=O)[O-])C1=O	ZINC001588919184	984570042	/nfs/dbraw/zinc/57/00/42/984570042.db2.gz	AIUSLZXZXWVUHX-SCZZXKLOSA-N	-1	0	296.348	0.688	20	30		CCEDRM
C=C[C@H](CO)NCC(=O)Nc1ccsc1C(=O)[O-]	ZINC001588919242	984570566	/nfs/dbraw/zinc/57/05/66/984570566.db2.gz	CTFTZMIVCLRTDI-SSDOTTSWSA-N	-1	0	270.310	0.521	20	30		CCEDRM
C=C[C@H](CO)NC(=O)NC[C@@H](CC(=O)[O-])C1CC1	ZINC001588919609	984572795	/nfs/dbraw/zinc/57/27/95/984572795.db2.gz	FRBRRXKOHZZEIT-NXEZZACHSA-N	-1	0	256.302	0.333	20	30		CCEDRM
C=C[C@H](CO)NC(=O)NC[C@H](CC(=O)[O-])C1CC1	ZINC001588919611	984572963	/nfs/dbraw/zinc/57/29/63/984572963.db2.gz	FRBRRXKOHZZEIT-VHSXEESVSA-N	-1	0	256.302	0.333	20	30		CCEDRM
CC#CC(=O)N[C@@H](C(=O)[O-])c1ccc(OC)cc1OC	ZINC001588926420	984593847	/nfs/dbraw/zinc/59/38/47/984593847.db2.gz	WWOCAFOIZHUUCI-CYBMUJFWSA-N	-1	0	277.276	0.969	20	30		CCEDRM
CC#CCCN1CC[C@H](C(=O)[O-])C[C@@H]1C(=O)OC	ZINC001588927326	984597846	/nfs/dbraw/zinc/59/78/46/984597846.db2.gz	SSJHGDUGLGBPFK-WDEREUQCSA-N	-1	0	253.298	0.738	20	30		CCEDRM
C/C(=C\c1ccccn1)C(=O)N(CC#N)CC(=O)[O-]	ZINC001589003484	984953181	/nfs/dbraw/zinc/95/31/81/984953181.db2.gz	BELRBCLVHVWFLL-CSKARUKUSA-N	-1	0	259.265	0.922	20	30		CCEDRM
Cc1[nH]c(C(=O)Cn2cnc(C#N)n2)c(C)c1C(=O)[O-]	ZINC001599949701	985587564	/nfs/dbraw/zinc/58/75/64/985587564.db2.gz	PICOZJGPAXQOLW-UHFFFAOYSA-N	-1	0	273.252	0.676	20	30		CCEDRM
CC(=O)c1ccc(C#N)cc1N1CC(O)(C(=O)[O-])C1	ZINC001589273671	985975432	/nfs/dbraw/zinc/97/54/32/985975432.db2.gz	JZNIBSSSIWFXKF-UHFFFAOYSA-N	-1	0	260.249	0.397	20	30		CCEDRM
Cc1c(C#N)cccc1C(=O)N[C@]1(C(=O)[O-])CCOC1	ZINC001599973545	986050317	/nfs/dbraw/zinc/05/03/17/986050317.db2.gz	YPJSDISJYRCCNQ-CQSZACIVSA-N	-1	0	274.276	0.840	20	30		CCEDRM
C[C@H](C#N)CNC(=O)N1C[C@H]2COCC[C@@]2(C(=O)[O-])C1	ZINC001589330806	986178364	/nfs/dbraw/zinc/17/83/64/986178364.db2.gz	RDJVOBWPUBZWJE-GBIKHYSHSA-N	-1	0	281.312	0.279	20	30		CCEDRM
C[C@H](C#N)CNC(=O)C(=O)Nc1ccsc1C(=O)[O-]	ZINC001589331002	986181492	/nfs/dbraw/zinc/18/14/92/986181492.db2.gz	YCQKZISODQTACN-ZCFIWIBFSA-N	-1	0	281.293	0.661	20	30		CCEDRM
C[C@H](C#N)N(C)S(=O)(=O)c1ccc(CC(=O)[O-])cc1	ZINC001589331593	986188798	/nfs/dbraw/zinc/18/87/98/986188798.db2.gz	IWYGADNNXRHUIN-SECBINFHSA-N	-1	0	282.321	0.846	20	30		CCEDRM
CCOc1cc(C#N)ccc1OC(=O)COCC(=O)[O-]	ZINC001596993558	986284715	/nfs/dbraw/zinc/28/47/15/986284715.db2.gz	KQUXBOIYTTUBBD-UHFFFAOYSA-N	-1	0	279.248	0.964	20	30		CCEDRM
C[C@H](C(=O)NCC1(C(=O)[O-])CCCC1)n1cnc(C#N)n1	ZINC001589405012	986586106	/nfs/dbraw/zinc/58/61/06/986586106.db2.gz	UENYGXINOYOELW-SECBINFHSA-N	-1	0	291.311	0.472	20	30		CCEDRM
C[C@H](C(=O)[O-])n1cccc1CN=Nc1cnnn1C	ZINC001589539760	987237579	/nfs/dbraw/zinc/23/75/79/987237579.db2.gz	KPXHBXAZXJDWAC-MRVPVSSYSA-N	-1	0	262.273	0.708	20	30		CCEDRM
C[C@H](C(=O)OCc1cc(C(=O)[O-])co1)n1cnc(C#N)n1	ZINC001589548526	987277381	/nfs/dbraw/zinc/27/73/81/987277381.db2.gz	FXLNBZVYYCBLMS-SSDOTTSWSA-N	-1	0	290.235	0.745	20	30		CCEDRM
CC(C)(C#N)CCCN1[C@H](C(=O)[O-])CCS1(=O)=O	ZINC001589554668	987301898	/nfs/dbraw/zinc/30/18/98/987301898.db2.gz	KERBQTLDQMAZIK-VIFPVBQESA-N	-1	0	274.342	0.805	20	30		CCEDRM
CCc1[nH]c(C(=O)N[C@@H]2CCN(O)C2=O)c(C)c1C(=O)[O-]	ZINC001597366944	987539498	/nfs/dbraw/zinc/53/94/98/987539498.db2.gz	LDMUDGXOAQEEFE-MRVPVSSYSA-N	-1	0	295.295	0.304	20	30		CCEDRM
CCc1nnc(Cn2cc(C(=O)[O-])cc(C#N)c2=O)o1	ZINC001597728812	989029764	/nfs/dbraw/zinc/02/97/64/989029764.db2.gz	BIAZAAHKITVWTA-UHFFFAOYSA-N	-1	0	274.236	0.412	20	30		CCEDRM
C[C@@H]1CN(C(=O)N[C@H]2CC[C@@H](CC#N)C2)C[C@@H](C(=O)[O-])O1	ZINC001599859023	989136369	/nfs/dbraw/zinc/13/63/69/989136369.db2.gz	HQRABQIGPJMOSQ-RHYQMDGZSA-N	-1	0	295.339	0.952	20	30		CCEDRM
C[C@@H]1CN(C(=O)c2c[nH]c(C#N)c2)C[C@@H](C(=O)[O-])O1	ZINC001599862221	989187588	/nfs/dbraw/zinc/18/75/88/989187588.db2.gz	YAJFMXYJOIXCQE-XCBNKYQSSA-N	-1	0	263.253	0.200	20	30		CCEDRM
C[C@@H]1CN(Cc2ccc(C#N)cn2)C[C@@H](C(=O)[O-])O1	ZINC001599866483	989269927	/nfs/dbraw/zinc/26/99/27/989269927.db2.gz	IFNGZVSMBSHERE-SKDRFNHKSA-N	-1	0	261.281	0.627	20	30		CCEDRM
CC(C)(C)OC(=O)N[C@@H](CCC(=O)[O-])C(=O)OCC#N	ZINC001590124086	989345219	/nfs/dbraw/zinc/34/52/19/989345219.db2.gz	FBIQFZJEIQJCEV-QMMMGPOBSA-N	-1	0	286.284	0.811	20	30		CCEDRM
C[C@@H]1C[C@H](C(=O)N2CCO[C@](C)(C#N)C2)O[C@H]1C(=O)[O-]	ZINC001599874030	989393957	/nfs/dbraw/zinc/39/39/57/989393957.db2.gz	PTMRASGMGKRCGG-VWMGYNLJSA-N	-1	0	282.296	0.006	20	30		CCEDRM
CN(C(=O)CCN(CC#N)CC(=O)[O-])c1ccccc1	ZINC001598012935	990187868	/nfs/dbraw/zinc/18/78/68/990187868.db2.gz	QZBSSMFUWJHBEA-UHFFFAOYSA-N	-1	0	275.308	0.950	20	30		CCEDRM
CN(C(=O)COC(=O)CCCC(=O)[O-])C(C)(C)C#N	ZINC001598028140	990238188	/nfs/dbraw/zinc/23/81/88/990238188.db2.gz	BIKKQPSSXNHDFR-UHFFFAOYSA-N	-1	0	270.285	0.545	20	30		CCEDRM
CN(C(=O)COC(=O)c1ccc(C(=O)[O-])o1)C(C)(C)C#N	ZINC001598029417	990246160	/nfs/dbraw/zinc/24/61/60/990246160.db2.gz	QEJGOXVHCUYLBV-UHFFFAOYSA-N	-1	0	294.263	0.895	20	30		CCEDRM
CC(C)(CC#N)CS(=O)(=O)N1CC[C@H]1C(=O)[O-]	ZINC001590615380	990290220	/nfs/dbraw/zinc/29/02/20/990290220.db2.gz	UQVMXHYHEGYCNH-QMMMGPOBSA-N	-1	0	260.315	0.415	20	30		CCEDRM
CN(C(=O)c1ccc(C#N)[nH]1)[C@H](COC1CCC1)C(=O)[O-]	ZINC001598083151	990407722	/nfs/dbraw/zinc/40/77/22/990407722.db2.gz	LVYYRPXJIFTPND-GFCCVEGCSA-N	-1	0	291.307	0.981	20	30		CCEDRM
CC(C)(CNN=Cc1cc(C(=O)[O-])no1)S(C)(=O)=O	ZINC001590762801	990566283	/nfs/dbraw/zinc/56/62/83/990566283.db2.gz	HMBZWJSYCUQKOO-UHFFFAOYSA-N	-1	0	289.313	0.120	20	30		CCEDRM
CC(C)C#CC(=O)N[C@@H](C[C@@H]1CCCO1)C(=O)[O-]	ZINC001590927058	990929633	/nfs/dbraw/zinc/92/96/33/990929633.db2.gz	PZKGYDISBDLYRF-QWRGUYRKSA-N	-1	0	253.298	0.784	20	30		CCEDRM
CN(C)c1cc(C#N)cc(C(=O)N[C@](C)(CO)C(=O)[O-])c1	ZINC001598287196	991186165	/nfs/dbraw/zinc/18/61/65/991186165.db2.gz	BOVZYNRGMLNVGH-CQSZACIVSA-N	-1	0	291.307	0.190	20	30		CCEDRM
CN(C)c1cc(C#N)cc(C(=O)NC[C@H](O)CC(=O)[O-])c1	ZINC001598287674	991190367	/nfs/dbraw/zinc/19/03/67/991190367.db2.gz	IWWOSXFVRXBIHL-GFCCVEGCSA-N	-1	0	291.307	0.190	20	30		CCEDRM
CN(CC(C)(C)C#N)C(=O)Cn1cc(C(=O)[O-])cn1	ZINC001598419084	991750701	/nfs/dbraw/zinc/75/07/01/991750701.db2.gz	BHBZUFWKCJRSFV-UHFFFAOYSA-N	-1	0	264.285	0.589	20	30		CCEDRM
COc1nsc(CN2CC[C@](O)(CC#N)C2)c1C(=O)[O-]	ZINC001599740480	991844332	/nfs/dbraw/zinc/84/43/32/991844332.db2.gz	UPAHBFKCQUGQKT-GFCCVEGCSA-N	-1	0	297.336	0.700	20	30		CCEDRM
CC(C)C[C@H](NC(=O)CN1CC(C)(C#N)C1)C(=O)[O-]	ZINC001591168082	991943832	/nfs/dbraw/zinc/94/38/32/991943832.db2.gz	SPXRDTHVRDAHEC-JTQLQIEISA-N	-1	0	267.329	0.447	20	30		CCEDRM
CC(C)CNC(=O)Cn1cc(C(=O)[O-])cc(C#N)c1=O	ZINC001591370187	992402149	/nfs/dbraw/zinc/40/21/49/992402149.db2.gz	BYDDXPUPOSLZDH-UHFFFAOYSA-N	-1	0	277.280	0.190	20	30		CCEDRM
CC(C)C[C@@H](C(=O)[O-])N(C)C(=O)[C@@H](C)n1cnc(C#N)n1	ZINC001591423245	992508399	/nfs/dbraw/zinc/50/83/99/992508399.db2.gz	WFIQRCRRCLYZOI-ZJUUUORDSA-N	-1	0	293.327	0.668	20	30		CCEDRM
COc1ccc2ncc(C#N)c(N3CC(O)(C(=O)[O-])C3)c2c1	ZINC001599634626	994268889	/nfs/dbraw/zinc/26/88/89/994268889.db2.gz	CAVNIDIJUAMXQZ-UHFFFAOYSA-N	-1	0	299.286	0.751	20	30		CCEDRM
C[C@@](O)(C(=O)N(CC#N)CCC(=O)[O-])C1CCC1	ZINC001593374964	995076030	/nfs/dbraw/zinc/07/60/30/995076030.db2.gz	XBBAXAZZCUJLMN-LBPRGKRZSA-N	-1	0	254.286	0.364	20	30		CCEDRM
C[C@](O)(CNc1c(C#N)nnc2ccccc21)C(=O)[O-]	ZINC001593416852	995201420	/nfs/dbraw/zinc/20/14/20/995201420.db2.gz	HTFHPJHWZGAIGP-ZDUSSCGKSA-N	-1	0	272.264	0.749	20	30		CCEDRM
COC(=O)[C@H]1C[C@@H](C(=O)[O-])CCN1C(=O)C#CC(C)(C)C	ZINC001598746060	995595529	/nfs/dbraw/zinc/59/55/29/995595529.db2.gz	WTWHXAWDYYMIHG-WDEREUQCSA-N	-1	0	295.335	0.901	20	30		CCEDRM
C[C@H](OC(=O)c1cccc(C#N)c1)C(=O)NCC(=O)[O-]	ZINC001593586070	995706521	/nfs/dbraw/zinc/70/65/21/995706521.db2.gz	NJMLMUYPWXCWHH-QMMMGPOBSA-N	-1	0	276.248	0.304	20	30		CCEDRM
COC(=O)[C@@H]1C[C@@H](C(=O)[O-])CCN1CCO[C@H](C)C#N	ZINC001598762099	995787712	/nfs/dbraw/zinc/78/77/12/995787712.db2.gz	TYJLNLBMCBENQT-VWYCJHECSA-N	-1	0	284.312	0.253	20	30		CCEDRM
C[C@@]1(C#N)CN(c2cc(CC(=O)[O-])ccn2)CCO1	ZINC001593743532	996369012	/nfs/dbraw/zinc/36/90/12/996369012.db2.gz	RZBYXNQQJXEJRG-CYBMUJFWSA-N	-1	0	261.281	0.828	20	30		CCEDRM
COC(=O)[C@@H]1CN(c2nccc(C)c2C#N)C[C@@H]1C(=O)[O-]	ZINC001598829188	996417583	/nfs/dbraw/zinc/41/75/83/996417583.db2.gz	TVNCCTZYRBSFCS-WDEREUQCSA-N	-1	0	289.291	0.572	20	30		CCEDRM
COC(=O)[C@@H]1CN(c2ccc(C)nc2C#N)C[C@@H]1C(=O)[O-]	ZINC001598830032	996426235	/nfs/dbraw/zinc/42/62/35/996426235.db2.gz	WUQBRIDKBHFLPF-VHSXEESVSA-N	-1	0	289.291	0.572	20	30		CCEDRM
COC(=O)/C=C/c1ccc(C(=O)N(CC#N)CC(=O)[O-])o1	ZINC001598830359	996430175	/nfs/dbraw/zinc/43/01/75/996430175.db2.gz	HXYYGTGOSVDTPN-HWKANZROSA-N	-1	0	292.247	0.516	20	30		CCEDRM
COC(=O)C[C@H](C)CC(=O)N(CC#N)CCC(=O)[O-]	ZINC001598835202	996477678	/nfs/dbraw/zinc/47/76/78/996477678.db2.gz	DRBRNIXPPQVGOP-SECBINFHSA-N	-1	0	270.285	0.403	20	30		CCEDRM
COC(=O)C[C@H](NC(=O)CC1(C#N)CCCCC1)C(=O)[O-]	ZINC001598838973	996509222	/nfs/dbraw/zinc/50/92/22/996509222.db2.gz	TXODDODXAGGRPA-JTQLQIEISA-N	-1	0	296.323	0.983	20	30		CCEDRM
CO[C@]1(C(=O)[O-])CCN(C(=O)c2cc(C#N)ccn2)C1	ZINC001599074627	996836853	/nfs/dbraw/zinc/83/68/53/996836853.db2.gz	IZOHZKSVOYGLBJ-CYBMUJFWSA-N	-1	0	275.264	0.269	20	30		CCEDRM
COC[C@H](O)CNc1ccc(C(=O)[O-])nc1C#N	ZINC001599277744	996837429	/nfs/dbraw/zinc/83/74/29/996837429.db2.gz	PWYIJHFUTSLFFS-SSDOTTSWSA-N	-1	0	251.242	0.071	20	30		CCEDRM
COC(=O)[C@@H](CCC(=O)[O-])NC(=O)c1cccc(C#N)c1	ZINC001598891857	997006699	/nfs/dbraw/zinc/00/66/99/997006699.db2.gz	BEJLVUPYKFEIAQ-LLVKDONJSA-N	-1	0	290.275	0.694	20	30		CCEDRM
COCC[C@](C)(C#N)NC(=O)CCc1ocnc1C(=O)[O-]	ZINC001599207611	997438291	/nfs/dbraw/zinc/43/82/91/997438291.db2.gz	PKIALRJZRBOINQ-CYBMUJFWSA-N	-1	0	295.295	0.740	20	30		CCEDRM
CON=CC(=O)N[C@@H](C(=O)[O-])c1ccc(OC)c(O)c1	ZINC001599320864	997578976	/nfs/dbraw/zinc/57/89/76/997578976.db2.gz	UNJHGRPZXYDQLC-LLVKDONJSA-N	-1	0	282.252	0.275	20	30		CCEDRM
CC1(OCC(=O)N(CC#N)CCC(=O)[O-])CCC1	ZINC001594068755	997897573	/nfs/dbraw/zinc/89/75/73/997897573.db2.gz	WDPCYZDLXHNYFS-UHFFFAOYSA-N	-1	0	254.286	0.772	20	30		CCEDRM
COCC#CC(=O)N1C[C@@H]2CCC[C@]2(C(=O)[O-])C1	ZINC001599138052	998077134	/nfs/dbraw/zinc/07/71/34/998077134.db2.gz	HEEHYDJSYYEKKH-GWCFXTLKSA-N	-1	0	251.282	0.350	20	30		CCEDRM
COC[C@@](C)(NC(=O)c1coc(C#N)c1)C(=O)[O-]	ZINC001599152542	998316126	/nfs/dbraw/zinc/31/61/26/998316126.db2.gz	GFWGXXFXJWVBLB-LLVKDONJSA-N	-1	0	252.226	0.371	20	30		CCEDRM
C[C@@H]1[C@@H](C(=O)[O-])CCN1Cn1nc(CC#N)n(C)c1=S	ZINC001594168701	998650884	/nfs/dbraw/zinc/65/08/84/998650884.db2.gz	XKAWCENJTDMKKO-BDAKNGLRSA-N	-1	0	295.368	0.770	20	30		CCEDRM
C[C@@H]1[C@H](C(=O)[O-])CCN1Cn1nc(CC#N)n(C)c1=S	ZINC001594168706	998651299	/nfs/dbraw/zinc/65/12/99/998651299.db2.gz	XKAWCENJTDMKKO-RKDXNWHRSA-N	-1	0	295.368	0.770	20	30		CCEDRM
CO[C@@H](CN(CC#N)CCC(=O)[O-])[C@H]1CCOC1	ZINC001599046262	999152645	/nfs/dbraw/zinc/15/26/45/999152645.db2.gz	CXSRPRLXOQJTMA-QWRGUYRKSA-N	-1	0	256.302	0.338	20	30		CCEDRM
Cn1cnc(=NC(=O)N2CCc3c(CC#N)cccc3C2)[n-]1	ZINC000599792693	361814534	/nfs/dbraw/zinc/81/45/34/361814534.db2.gz	LIBJJBXMEXIPPF-UHFFFAOYSA-N	-1	0	296.334	0.893	20	30		CCEDRM
Cn1cc(C#N)c(=NC(=O)NC2CC(F)(F)C2)[n-]1	ZINC000617589522	365688915	/nfs/dbraw/zinc/68/89/15/365688915.db2.gz	CPLWVHBJQVKFKO-UHFFFAOYSA-N	-1	0	255.228	0.633	20	30		CCEDRM
C[C@@H](C#N)CNS(=O)(=O)c1csc(C(=O)[O-])c1	ZINC000113251064	349805470	/nfs/dbraw/zinc/80/54/70/349805470.db2.gz	XLRUZDMSVIKUGP-LURJTMIESA-N	-1	0	274.323	0.884	20	30		CCEDRM
Cc1n[n-]c(=NC(=O)N2C[C@@H](C)N(CC#N)[C@@H](C)C2)s1	ZINC000601225204	362183016	/nfs/dbraw/zinc/18/30/16/362183016.db2.gz	LHPFVIWJTJOVIA-DTORHVGOSA-N	-1	0	294.384	0.719	20	30		CCEDRM
Cc1n[n-]c(=NC(=O)N2C[C@H](C)N(CC#N)[C@@H](C)C2)s1	ZINC000601225206	362183113	/nfs/dbraw/zinc/18/31/13/362183113.db2.gz	LHPFVIWJTJOVIA-IUCAKERBSA-N	-1	0	294.384	0.719	20	30		CCEDRM
C[C@H]1CN(S(=O)(=O)c2ncc[n-]2)C[C@H](C)N1CC#N	ZINC000601492977	362290130	/nfs/dbraw/zinc/29/01/30/362290130.db2.gz	WJLYOMOLQMAZMX-UWVGGRQHSA-N	-1	0	283.357	0.017	20	30		CCEDRM
CC[C@H](C)[C@H](NS(=O)(=O)c1ccc(C#N)nc1)C(=O)[O-]	ZINC000127119112	187283564	/nfs/dbraw/zinc/28/35/64/187283564.db2.gz	MZSFKSZPBVRWFS-KWQFWETISA-N	-1	0	297.336	0.731	20	30		CCEDRM
N#Cc1ccc(S(=O)(=O)N[C@@H]2COCC[C@H]2O)s1	ZINC000601524264	362300222	/nfs/dbraw/zinc/30/02/22/362300222.db2.gz	ZAHFLRPFDHQOBL-RKDXNWHRSA-N	-1	0	288.350	0.048	20	30		CCEDRM
C=CCSCCNC(=O)[C@@H](C)O[C@H](C)C(=O)[O-]	ZINC000602008559	362456252	/nfs/dbraw/zinc/45/62/52/362456252.db2.gz	LTLJGASKIIJZAU-RKDXNWHRSA-N	-1	0	261.343	0.900	20	30		CCEDRM
C=CCN(CC=C)C(=O)CCn1cc(C#N)c(=O)[n-]c1=O	ZINC000602026164	362462699	/nfs/dbraw/zinc/46/26/99/362462699.db2.gz	IYXNHGYMFMNUDR-UHFFFAOYSA-N	-1	0	288.307	0.411	20	30		CCEDRM
C[C@@H]1CCCN(C(=O)Cn2cc(C#N)c(=O)[n-]c2=O)[C@@H]1C	ZINC000602107415	362492811	/nfs/dbraw/zinc/49/28/11/362492811.db2.gz	DHNXGAMVMVZCBB-NXEZZACHSA-N	-1	0	290.323	0.468	20	30		CCEDRM
C[C@H]1CN(C(=O)CCn2cc(C#N)c(=O)[n-]c2=O)C[C@H]1C	ZINC000602110119	362495410	/nfs/dbraw/zinc/49/54/10/362495410.db2.gz	XVPRNSGFYPVUIF-AOOOYVTPSA-N	-1	0	290.323	0.325	20	30		CCEDRM
N#Cc1cn(CCC(=O)N2CC(C3CC3)C2)c(=O)[n-]c1=O	ZINC000602155096	362530022	/nfs/dbraw/zinc/53/00/22/362530022.db2.gz	YNDLTBKNEVLBFH-UHFFFAOYSA-N	-1	0	288.307	0.079	20	30		CCEDRM
C[C@H]1CC(C)(C)CN1C(=O)Cn1cc(C#N)c(=O)[n-]c1=O	ZINC000602162442	362536244	/nfs/dbraw/zinc/53/62/44/362536244.db2.gz	PZVYHZWZGKWBBF-VIFPVBQESA-N	-1	0	290.323	0.468	20	30		CCEDRM
Cn1ncc(C#N)c1[N-]S(=O)(=O)c1ccc(C#N)cc1	ZINC000093342343	136807939	/nfs/dbraw/zinc/80/79/39/136807939.db2.gz	MQDGWFDDZGVJCW-UHFFFAOYSA-N	-1	0	287.304	0.964	20	30		CCEDRM
CO[C@@H](C)c1nc(=NCCn2cnc(C#N)n2)s[n-]1	ZINC000343535173	137140339	/nfs/dbraw/zinc/14/03/39/137140339.db2.gz	YKCYCMNTPMNCKQ-ZETCQYMHSA-N	-1	0	279.329	0.243	20	30		CCEDRM
N#Cc1ccc(S(=O)(=O)[N-]CC[C@H](O)C(F)(F)F)o1	ZINC000344561374	137201614	/nfs/dbraw/zinc/20/16/14/137201614.db2.gz	OKBOEPZTDMCKMG-ZETCQYMHSA-N	-1	0	298.242	0.743	20	30		CCEDRM
C[C@@H](O)[C@H](NC(=O)Nc1cccc(C#N)c1)C(=O)[O-]	ZINC000037010006	348178826	/nfs/dbraw/zinc/17/88/26/348178826.db2.gz	GMYNTJBPYUKBKI-XCBNKYQSSA-N	-1	0	263.253	0.514	20	30		CCEDRM
CN(CCC(=O)[O-])C(=O)COc1ccc(C#N)cc1	ZINC000037932061	348219767	/nfs/dbraw/zinc/21/97/67/348219767.db2.gz	JJTMMIIFFWDBJR-UHFFFAOYSA-N	-1	0	262.265	0.870	20	30		CCEDRM
CCN(CC(=O)[O-])S(=O)(=O)c1ccccc1C#N	ZINC000038017196	348224294	/nfs/dbraw/zinc/22/42/94/348224294.db2.gz	NYDUGSVFARXXHC-UHFFFAOYSA-N	-1	0	268.294	0.653	20	30		CCEDRM
Cn1cc(C#N)c(=NC(=O)N2CC(CC3CC3)C2)[n-]1	ZINC000602885426	362864234	/nfs/dbraw/zinc/86/42/34/362864234.db2.gz	DUDDIEDTJUQSGA-UHFFFAOYSA-N	-1	0	259.313	0.977	20	30		CCEDRM
Cn1cc(C#N)c(=NC(=O)NCCC(C)(C)F)[n-]1	ZINC000602885477	362864811	/nfs/dbraw/zinc/86/48/11/362864811.db2.gz	FDSUOIGJQWHBEM-UHFFFAOYSA-N	-1	0	253.281	0.973	20	30		CCEDRM
CC[C@@H]1C[C@H](NC(=O)N=c2[n-]n(C)cc2C#N)CCO1	ZINC000602885598	362864861	/nfs/dbraw/zinc/86/48/61/362864861.db2.gz	GOVLPSBOXFXSHC-GHMZBOCLSA-N	-1	0	277.328	0.793	20	30		CCEDRM
C[C@H](O)CN(C(=O)N=c1[n-]n(C)cc1C#N)C1CC1	ZINC000602889146	362867229	/nfs/dbraw/zinc/86/72/29/362867229.db2.gz	XHOBMJMEPVDSSV-QMMMGPOBSA-N	-1	0	263.301	0.091	20	30		CCEDRM
COCc1nc(=NC(=O)c2ccc(C#N)o2)s[n-]1	ZINC000346499967	137290013	/nfs/dbraw/zinc/29/00/13/137290013.db2.gz	YEMZGEYJMNOIFB-UHFFFAOYSA-N	-1	0	264.266	0.823	20	30		CCEDRM
CN(Cc1ccc(C#N)cc1)C(=O)c1n[nH]c(=O)[n-]1	ZINC000048733858	348423781	/nfs/dbraw/zinc/42/37/81/348423781.db2.gz	DWXUFCWOHWLPKA-UHFFFAOYSA-N	-1	0	257.253	0.654	20	30		CCEDRM
N#Cc1ccc(S(=O)(=O)[N-]c2cnn(CCO)c2)cc1	ZINC000067659940	348780753	/nfs/dbraw/zinc/78/07/53/348780753.db2.gz	OOUWXCWFTYQDIV-UHFFFAOYSA-N	-1	0	292.320	0.548	20	30		CCEDRM
C[C@@](O)(CNC(=O)Nc1ccc(F)c(C#N)c1)C(=O)[O-]	ZINC000090278741	349431266	/nfs/dbraw/zinc/43/12/66/349431266.db2.gz	HRJRLRZRZNNGGI-GFCCVEGCSA-N	-1	0	281.243	0.654	20	30		CCEDRM
C[C@@H](NC(=O)C(C)(C)C)C(=O)Nc1nc(C#N)c(C#N)[n-]1	ZINC000128229693	350188824	/nfs/dbraw/zinc/18/88/24/350188824.db2.gz	RDIZSHBLOYLANY-SSDOTTSWSA-N	-1	0	288.311	0.642	20	30		CCEDRM
CC(C)(C)n1cc(C#N)c(=NC(=O)C(=O)NCCCF)[n-]1	ZINC000539204572	290893520	/nfs/dbraw/zinc/89/35/20/290893520.db2.gz	WGKAIIFZMJAXHJ-UHFFFAOYSA-N	-1	0	295.318	0.346	20	30		CCEDRM
C=CCOCCCNC(=O)CSc1n[nH]c(=O)[n-]1	ZINC000618526725	366038261	/nfs/dbraw/zinc/03/82/61/366038261.db2.gz	RIIRDCHDZBUORY-UHFFFAOYSA-N	-1	0	272.330	0.311	20	30		CCEDRM
N#Cc1c(F)cccc1C(=O)NCc1n[n-]c(=N)o1	ZINC000354851187	137596887	/nfs/dbraw/zinc/59/68/87/137596887.db2.gz	PPYFFFFHYHCCQG-UHFFFAOYSA-N	-1	0	261.216	0.423	20	30		CCEDRM
CCOC(=O)NCCCC(=O)Nc1nc(C#N)c(C#N)[n-]1	ZINC000269866288	352881231	/nfs/dbraw/zinc/88/12/31/352881231.db2.gz	SHEYUZUKDTZGSB-UHFFFAOYSA-N	-1	0	290.283	0.618	20	30		CCEDRM
N#Cc1cccc(CN(CC(=O)[O-])S(=O)(=O)C2CC2)c1	ZINC000274962452	353176053	/nfs/dbraw/zinc/17/60/53/353176053.db2.gz	BNYPDDZHADNVHW-UHFFFAOYSA-N	-1	0	294.332	0.937	20	30		CCEDRM
C#CCCCCNC(=O)c1c[nH]c2nc(=O)[n-]c(=O)c-2c1	ZINC000156442665	188262587	/nfs/dbraw/zinc/26/25/87/188262587.db2.gz	HICOGPCWEODFBW-UHFFFAOYSA-N	-1	0	286.291	0.145	20	30		CCEDRM
C#C[C@H](C)NC(=O)[C@@H]([N-]C(=O)C(F)(F)F)C(C)C	ZINC000279641818	353307242	/nfs/dbraw/zinc/30/72/42/353307242.db2.gz	CPDCFBGKEZNRMJ-YUMQZZPRSA-N	-1	0	264.247	0.827	20	30		CCEDRM
CCn1cnc(S(=O)(=O)[N-]c2nn(C)cc2C#N)c1	ZINC000134978993	137663357	/nfs/dbraw/zinc/66/33/57/137663357.db2.gz	FWRNGZVJDRMJGH-UHFFFAOYSA-N	-1	0	280.313	0.309	20	30		CCEDRM
N#Cc1cccnc1N1CCC(c2nc(=O)[n-][nH]2)CC1	ZINC000281027092	353389011	/nfs/dbraw/zinc/38/90/11/353389011.db2.gz	SUTBDZAIDGNSOF-UHFFFAOYSA-N	-1	0	270.296	0.749	20	30		CCEDRM
COC[C@H](C)S(=O)(=O)NCC(=O)c1ccc(C#N)cc1	ZINC000341074915	355599679	/nfs/dbraw/zinc/59/96/79/355599679.db2.gz	ARTRVAYASLDNLO-JTQLQIEISA-N	-1	0	296.348	0.695	20	30		CCEDRM
C=CCCOCC(=O)N[C@@H](Cc1ccncc1)C(=O)[O-]	ZINC000655598081	412627715	/nfs/dbraw/zinc/62/77/15/412627715.db2.gz	ATKFGOJULCFLEC-LBPRGKRZSA-N	-1	0	278.308	0.786	20	30		CCEDRM
Cc1cc(C#N)cnc1C(=O)N(C)C[C@H](C)c1nnn[n-]1	ZINC000560371004	291097881	/nfs/dbraw/zinc/09/78/81/291097881.db2.gz	LJUUPIPRQRLFQH-VIFPVBQESA-N	-1	0	285.311	0.651	20	30		CCEDRM
COCCC1(NC(=O)N=c2[n-]n(C)cc2C#N)CCC1	ZINC000619536981	366277173	/nfs/dbraw/zinc/27/71/73/366277173.db2.gz	OOVRBIKMXLGRMG-UHFFFAOYSA-N	-1	0	277.328	0.794	20	30		CCEDRM
Cc1c(C#N)cccc1C(=O)NCCc1n[n-]c(=N)o1	ZINC000355026539	356552885	/nfs/dbraw/zinc/55/28/85/356552885.db2.gz	ALNAEJMAEQALKF-UHFFFAOYSA-N	-1	0	271.280	0.635	20	30		CCEDRM
C=CC[C@@H](C)NC(=O)N=c1ccc(C(=O)OC)n[n-]1	ZINC000619627612	366303074	/nfs/dbraw/zinc/30/30/74/366303074.db2.gz	JVTIOMJBWLKURV-MRVPVSSYSA-N	-1	0	264.285	0.771	20	30		CCEDRM
COCC1(CNC(=O)N=c2[n-]n(C)cc2C#N)CCC1	ZINC000619727572	366343746	/nfs/dbraw/zinc/34/37/46/366343746.db2.gz	LHDMZDKTWYHLRS-UHFFFAOYSA-N	-1	0	277.328	0.652	20	30		CCEDRM
COC(=O)Cc1occc1C(=O)N=c1[nH][n-]c(C)c1C#N	ZINC000356175598	356716161	/nfs/dbraw/zinc/71/61/61/356716161.db2.gz	ZYOKJNIOPMMWPN-UHFFFAOYSA-N	-1	0	288.263	0.573	20	30		CCEDRM
Cc1ncncc1C(=O)N=c1[nH][n-]c(C2CC2)c1C#N	ZINC000359728562	356880050	/nfs/dbraw/zinc/88/00/50/356880050.db2.gz	XVAUIZXSXIIHFN-UHFFFAOYSA-N	-1	0	268.280	0.931	20	30		CCEDRM
Cn1cc(C#N)c(=NC(=O)NC[C@H]2CCCOC2)[n-]1	ZINC000610564968	363579682	/nfs/dbraw/zinc/57/96/82/363579682.db2.gz	UUGMXQUQLRYYDQ-SECBINFHSA-N	-1	0	263.301	0.262	20	30		CCEDRM
Cn1cc(C#N)c(=NC(=O)NC[C@@H](CO)c2ccccc2)[n-]1	ZINC000610564645	363579803	/nfs/dbraw/zinc/57/98/03/363579803.db2.gz	SLPHRELGRCHXFR-ZDUSSCGKSA-N	-1	0	299.334	0.611	20	30		CCEDRM
N#Cc1c(C2CC2)[n-][nH]c1=NC(=O)[C@@H]1CCn2ccnc2C1	ZINC000377087668	357536293	/nfs/dbraw/zinc/53/62/93/357536293.db2.gz	APJKBXNLTPFBRA-SNVBAGLBSA-N	-1	0	296.334	0.978	20	30		CCEDRM
C#CCO[C@@H](C)C(=O)NCc1ccc(-c2nn[nH]n2)cc1	ZINC000294565130	199088388	/nfs/dbraw/zinc/08/83/88/199088388.db2.gz	JQNKTDUEJPVPRK-JTQLQIEISA-N	-1	0	285.307	0.521	20	30		CCEDRM
N#Cc1cn(C2CN(C(=O)C3CCCC3)C2)c(=O)[n-]c1=O	ZINC000530268788	358387809	/nfs/dbraw/zinc/38/78/09/358387809.db2.gz	WFAXGCUHUHGNCR-UHFFFAOYSA-N	-1	0	288.307	0.394	20	30		CCEDRM
N#Cc1cn(C2CN(C(=O)C3CC=CC3)C2)c(=O)[n-]c1=O	ZINC000530270361	358388089	/nfs/dbraw/zinc/38/80/89/358388089.db2.gz	HDCCXLXOMMLGCD-UHFFFAOYSA-N	-1	0	286.291	0.170	20	30		CCEDRM
C[C@H](CCC(=O)[O-])CNS(=O)(=O)N(C)[C@H](C)CC#N	ZINC000563227176	358557198	/nfs/dbraw/zinc/55/71/98/358557198.db2.gz	TVEXMTXOCVCHNR-NXEZZACHSA-N	-1	0	291.373	0.556	20	30		CCEDRM
Cn1cc(C#N)c(=NC(=O)N[C@@H]2CCC[C@H]3OCC[C@H]32)[n-]1	ZINC000610767523	363611603	/nfs/dbraw/zinc/61/16/03/363611603.db2.gz	XWLJYIKZFCDADO-QJPTWQEYSA-N	-1	0	289.339	0.793	20	30		CCEDRM
C=CCOC[C@@H](NC(=O)NCc1ncc(C)s1)C(=O)[O-]	ZINC000580029521	359077538	/nfs/dbraw/zinc/07/75/38/359077538.db2.gz	KTXLGNOMASEHBD-SECBINFHSA-N	-1	0	299.352	0.907	20	30		CCEDRM
CCC[C@@]1(CO)CCN(C(=O)N=c2[n-]n(C)cc2C#N)C1	ZINC000589001999	359355635	/nfs/dbraw/zinc/35/56/35/359355635.db2.gz	ITZXIVFGRYPMMV-CQSZACIVSA-N	-1	0	291.355	0.730	20	30		CCEDRM
C[C@H](C#N)CN(C(=O)N=c1[n-]n(C)cc1C#N)C1CC1	ZINC000611097973	363659105	/nfs/dbraw/zinc/65/91/05/363659105.db2.gz	REAGYBBBXLUPHY-SECBINFHSA-N	-1	0	272.312	0.870	20	30		CCEDRM
N#Cc1cccc(/C=C/C(=O)NCCc2n[n-]c(=N)o2)c1	ZINC000491974275	237041789	/nfs/dbraw/zinc/04/17/89/237041789.db2.gz	UTQOAPYCKTUHMU-SNAWJCMRSA-N	-1	0	283.291	0.726	20	30		CCEDRM
CS(=O)(=O)[N-]c1ccccc1C(=O)N1CC(C#N)C1	ZINC000590483085	359473181	/nfs/dbraw/zinc/47/31/81/359473181.db2.gz	QCYNVMPOIIFECP-UHFFFAOYSA-N	-1	0	279.321	0.654	20	30		CCEDRM
CCC[C@H](CNC(=O)N=c1[n-]n(C)cc1C#N)OC	ZINC000590819588	359527299	/nfs/dbraw/zinc/52/72/99/359527299.db2.gz	NWJQHAUETWLOSB-SNVBAGLBSA-N	-1	0	265.317	0.650	20	30		CCEDRM
CC[C@H](CCC(=O)[O-])NS(=O)(=O)c1ccc(C#N)nc1	ZINC000297213585	200116321	/nfs/dbraw/zinc/11/63/21/200116321.db2.gz	NNRXBMJIIQAKJQ-SECBINFHSA-N	-1	0	297.336	0.875	20	30		CCEDRM
CC[C@@H]1CC[C@H](C(=O)[O-])N1S(=O)(=O)N(C)CCC#N	ZINC000592448257	359843090	/nfs/dbraw/zinc/84/30/90/359843090.db2.gz	NAJXPFZHTKDIKS-NXEZZACHSA-N	-1	0	289.357	0.404	20	30		CCEDRM
C[C@@H](CSCCNS(=O)(=O)CCCC#N)C(=O)[O-]	ZINC000592449035	359843305	/nfs/dbraw/zinc/84/33/05/359843305.db2.gz	PDGPXHZOYOUQTB-VIFPVBQESA-N	-1	0	294.398	0.663	20	30		CCEDRM
CCc1nnc([C@@H](C)NC(=O)N=c2[n-]n(C)cc2C#N)[nH]1	ZINC000611195590	363678990	/nfs/dbraw/zinc/67/89/90/363678990.db2.gz	OFVCQSNPCDTKAZ-SSDOTTSWSA-N	-1	0	288.315	0.277	20	30		CCEDRM
N#CC[C@@]1(O)CCN(C(=O)c2cccc([N+](=O)[O-])c2[O-])C1	ZINC000592847074	359953774	/nfs/dbraw/zinc/95/37/74/359953774.db2.gz	ISQMGICCKZIEBF-CYBMUJFWSA-N	-1	0	291.263	0.791	20	30		CCEDRM
C[C@H](C#N)CN(C)S(=O)(=O)N1CCC[C@H]1CC(=O)[O-]	ZINC000593269903	360058721	/nfs/dbraw/zinc/05/87/21/360058721.db2.gz	SYHZXZJATPMTNX-ZJUUUORDSA-N	-1	0	289.357	0.262	20	30		CCEDRM
C[C@@H](C(=O)[O-])C1(NS(=O)(=O)N(C)[C@@H](C)CC#N)CC1	ZINC000593272770	360058765	/nfs/dbraw/zinc/05/87/65/360058765.db2.gz	BTYNZBBGLOJFEU-IUCAKERBSA-N	-1	0	289.357	0.308	20	30		CCEDRM
CC[C@@](C)(C#N)C(=O)N=c1ccc(C(=O)NC)n[n-]1	ZINC000593340772	360068852	/nfs/dbraw/zinc/06/88/52/360068852.db2.gz	WCBUFOJOCWHGSX-LBPRGKRZSA-N	-1	0	261.285	0.136	20	30		CCEDRM
Cc1cc2c(N=C([O-])[C@@H](N)C(F)(F)F)n[nH]c2cc1C#N	ZINC000593916677	360211449	/nfs/dbraw/zinc/21/14/49/360211449.db2.gz	OVIXCODLPOPYAP-SECBINFHSA-N	-1	0	297.240	0.993	20	30		CCEDRM
C=CCCn1cc(C[S@@](=O)[C@H](C)C(=O)[O-])nn1	ZINC000593931871	360219144	/nfs/dbraw/zinc/21/91/44/360219144.db2.gz	NQIAJSMIQBHAGJ-CQLKUDPESA-N	-1	0	257.315	0.576	20	30		CCEDRM
Cn1nnc2c1CC[C@@H](NC(=O)c1ccc(C#N)c(O)c1)C2	ZINC000594402095	360294497	/nfs/dbraw/zinc/29/44/97/360294497.db2.gz	QHHIZQQMMHSAEY-LLVKDONJSA-N	-1	0	297.318	0.680	20	30		CCEDRM
N#Cc1cccc(S(=O)(=O)N[C@@H](CCF)C(=O)[O-])c1	ZINC000594573977	360332600	/nfs/dbraw/zinc/33/26/00/360332600.db2.gz	RUQRPEMVSDHFKA-JTQLQIEISA-N	-1	0	286.284	0.649	20	30		CCEDRM
N#CC1(C[N-]S(=O)(=O)c2ncccc2[N+](=O)[O-])CC1	ZINC000594781136	360382000	/nfs/dbraw/zinc/38/20/00/360382000.db2.gz	MFFGPXLUYLEILY-UHFFFAOYSA-N	-1	0	282.281	0.572	20	30		CCEDRM
N#CC1(C[N-]S(=O)(=O)c2ncccc2[N+](=O)[O-])CCC1	ZINC000594783115	360382897	/nfs/dbraw/zinc/38/28/97/360382897.db2.gz	FHMOQZPMSCQOBS-UHFFFAOYSA-N	-1	0	296.308	0.962	20	30		CCEDRM
N#Cc1cnc(N[C@@H]2C[C@@H](C(=O)[O-])C[C@@H]2O)c(F)c1	ZINC000595978088	360753366	/nfs/dbraw/zinc/75/33/66/360753366.db2.gz	KCWDWPCZBPHMMV-QNSHHTMESA-N	-1	0	265.244	0.728	20	30		CCEDRM
Cc1ccnc(N[C@@H]2C[C@H](C(=O)[O-])C[C@@H]2O)c1C#N	ZINC000595978773	360754883	/nfs/dbraw/zinc/75/48/83/360754883.db2.gz	OMVXZVZMNWGDDS-GDPRMGEGSA-N	-1	0	261.281	0.898	20	30		CCEDRM
Cc1cc(N[C@@H]2C[C@H](C(=O)[O-])C[C@H]2O)cc(C#N)n1	ZINC000595979835	360754971	/nfs/dbraw/zinc/75/49/71/360754971.db2.gz	VCRARLCLCFMPRJ-XXILOJSOSA-N	-1	0	261.281	0.320	20	30		CCEDRM
C=CCN1CC[C@H](N(CC(=O)[O-])C2CCC2)C1=O	ZINC000655933515	412707211	/nfs/dbraw/zinc/70/72/11/412707211.db2.gz	MZZQSAWGQMPQHD-NSHDSACASA-N	-1	0	252.314	0.712	20	30		CCEDRM
N#Cc1ccc(O[C@H]2CCN(CC(=O)[O-])C2=O)c(F)c1	ZINC000596011901	360774130	/nfs/dbraw/zinc/77/41/30/360774130.db2.gz	HHEOXAZYQJYRKZ-NSHDSACASA-N	-1	0	278.239	0.762	20	30		CCEDRM
CN(CCC#N)S(=O)(=O)N1CC2(CCC2)[C@@H]1C(=O)[O-]	ZINC000596035754	360779030	/nfs/dbraw/zinc/77/90/30/360779030.db2.gz	VOTGFFIZJVQZEC-VIFPVBQESA-N	-1	0	287.341	0.016	20	30		CCEDRM
C=CCCOCC(=O)NCC1(CC(=O)[O-])CCOCC1	ZINC000621595458	366803805	/nfs/dbraw/zinc/80/38/05/366803805.db2.gz	HCSCCIFVWYFUPF-UHFFFAOYSA-N	-1	0	285.340	0.967	20	30		CCEDRM
CO[C@@H](C(=O)N=c1[n-]n(C)cc1C#N)C1CCCC1	ZINC000598817720	361522257	/nfs/dbraw/zinc/52/22/57/361522257.db2.gz	XOQVQSAFZMHURH-LLVKDONJSA-N	-1	0	262.313	0.857	20	30		CCEDRM
N#Cc1c(Cl)nsc1NCc1n[nH]c(=O)[n-]1	ZINC000301796450	201201480	/nfs/dbraw/zinc/20/14/80/201201480.db2.gz	UJNVXWFCKOHQIN-UHFFFAOYSA-N	-1	0	256.678	0.692	20	30		CCEDRM
COC(=O)c1cc(S(=O)(=O)[N-][C@@H](C)CC#N)on1	ZINC000599225316	361615126	/nfs/dbraw/zinc/61/51/26/361615126.db2.gz	IFAPYJVLJSFZAH-LURJTMIESA-N	-1	0	273.270	0.042	20	30		CCEDRM
C=CC[C@H](CC)NC(=O)C(=O)NC[C@H](C(=O)[O-])C(C)C	ZINC000655986508	412724901	/nfs/dbraw/zinc/72/49/01/412724901.db2.gz	FQNFXKFZFNRREC-QWRGUYRKSA-N	-1	0	284.356	0.930	20	30		CCEDRM
Cn1cc(C#N)c(=NC(=O)N2CCOCC3(CCC3)C2)[n-]1	ZINC000612752008	364007792	/nfs/dbraw/zinc/00/77/92/364007792.db2.gz	HCBGLNSVKACRLK-UHFFFAOYSA-N	-1	0	289.339	0.748	20	30		CCEDRM
CCO[C@H]1COCC[C@@H]1NC(=O)N=c1[n-]n(C)cc1C#N	ZINC000612752015	364008277	/nfs/dbraw/zinc/00/82/77/364008277.db2.gz	HRYHGACBLQMDJA-QWRGUYRKSA-N	-1	0	293.327	0.029	20	30		CCEDRM
C=CC[C@H](CO)NC(=O)c1ccc([N-]S(C)(=O)=O)nc1	ZINC000626448903	368548337	/nfs/dbraw/zinc/54/83/37/368548337.db2.gz	PZZGSUDTMOMDQB-SNVBAGLBSA-N	-1	0	299.352	0.120	20	30		CCEDRM
C=CCCCNC(=O)C(=O)N1CC[C@@H](C(=O)[O-])[C@@H](C)C1	ZINC000627273298	368940363	/nfs/dbraw/zinc/94/03/63/368940363.db2.gz	CEEGLKQBCZKTRO-WDEREUQCSA-N	-1	0	282.340	0.638	20	30		CCEDRM
C[C@@H](CC#N)N(C)S(=O)(=O)NC(C)(C)CC(=O)[O-]	ZINC000574329277	335011062	/nfs/dbraw/zinc/01/10/62/335011062.db2.gz	FDNVCBJWHTVTCC-QMMMGPOBSA-N	-1	0	277.346	0.308	20	30		CCEDRM
C=CC(C)(C)CCNS(=O)(=O)N(C)CCC(=O)[O-]	ZINC000629332599	369632554	/nfs/dbraw/zinc/63/25/54/369632554.db2.gz	NPJCKUFFTQJCEX-UHFFFAOYSA-N	-1	0	278.374	0.830	20	30		CCEDRM
C=CC[C@@H]1CCN(C(=O)C(=O)N2CC[C@H](C(=O)[O-])C2)C1	ZINC000629778515	369773688	/nfs/dbraw/zinc/77/36/88/369773688.db2.gz	BKCVLYNYXMBFGB-MNOVXSKESA-N	-1	0	280.324	0.344	20	30		CCEDRM
C=CCOC[C@@H](NC(=O)CCc1ccncn1)C(=O)[O-]	ZINC000630186381	369995735	/nfs/dbraw/zinc/99/57/35/369995735.db2.gz	PXAMCAFXOHUUNT-LLVKDONJSA-N	-1	0	279.296	0.181	20	30		CCEDRM
C=CCOC[C@@H](NC(=O)CCc1c(C)noc1C)C(=O)[O-]	ZINC000630186754	369996227	/nfs/dbraw/zinc/99/62/27/369996227.db2.gz	XLWRSRRMBYBCBW-GFCCVEGCSA-N	-1	0	296.323	0.996	20	30		CCEDRM
C=CCOC[C@@H](NC(=O)c1cnc2n1CCCC2)C(=O)[O-]	ZINC000630187348	369996964	/nfs/dbraw/zinc/99/69/64/369996964.db2.gz	NPSSGTLIQFPCDR-SNVBAGLBSA-N	-1	0	293.323	0.605	20	30		CCEDRM
C=C(C)C[C@@H](NC(=O)COCCOCC)C(=O)[O-]	ZINC000630319547	370045785	/nfs/dbraw/zinc/04/57/85/370045785.db2.gz	CIDASJCONNHUEC-SNVBAGLBSA-N	-1	0	259.302	0.575	20	30		CCEDRM
C=C(C)C[C@@H](NC(=O)CCCS(C)(=O)=O)C(=O)[O-]	ZINC000630319962	370045822	/nfs/dbraw/zinc/04/58/22/370045822.db2.gz	LZEIRGGMGKQUEH-SECBINFHSA-N	-1	0	277.342	0.347	20	30		CCEDRM
C=CCCOCC(=O)N1C[C@H](OC)C[C@]1(C)C(=O)[O-]	ZINC000630308541	370041014	/nfs/dbraw/zinc/04/10/14/370041014.db2.gz	DXWKJWHZHOEQGD-ZWNOBZJWSA-N	-1	0	271.313	0.670	20	30		CCEDRM
C=C(C)C[C@H](NC(=O)CCC(=O)NCC)C(=O)[O-]	ZINC000630325404	370048046	/nfs/dbraw/zinc/04/80/46/370048046.db2.gz	JNZWVABCOIISRK-VIFPVBQESA-N	-1	0	256.302	0.438	20	30		CCEDRM
C=C(C)C[C@H](NC(=O)c1ccc(C(N)=O)s1)C(=O)[O-]	ZINC000630317264	370044855	/nfs/dbraw/zinc/04/48/55/370044855.db2.gz	NRFINGABBRCPSO-ZETCQYMHSA-N	-1	0	282.321	0.996	20	30		CCEDRM
C=CCC[C@H](NC(=O)CCc1ccncn1)C(=O)[O-]	ZINC000630180686	369992951	/nfs/dbraw/zinc/99/29/51/369992951.db2.gz	DVYNECZXMXXYDP-NSHDSACASA-N	-1	0	263.297	0.945	20	30		CCEDRM
C=CCC[C@@H](NC(=O)CCc1cnn(C)c1)C(=O)[O-]	ZINC000630183060	369994985	/nfs/dbraw/zinc/99/49/85/369994985.db2.gz	SDKGYUPDKGGJKB-LLVKDONJSA-N	-1	0	265.313	0.888	20	30		CCEDRM
C=CCCCS(=O)(=O)N[C@@H](C(=O)[O-])[C@@H]1CCCO1	ZINC000630423883	370109182	/nfs/dbraw/zinc/10/91/82/370109182.db2.gz	SQFBUBUCPYBUTQ-VHSXEESVSA-N	-1	0	277.342	0.504	20	30		CCEDRM
C=CCCO[C@@H](C)C(=O)NC[C@@]1(C(=O)[O-])CCCOC1	ZINC000630335210	370048631	/nfs/dbraw/zinc/04/86/31/370048631.db2.gz	HNXNLFFEXLGDSL-FZMZJTMJSA-N	-1	0	285.340	0.965	20	30		CCEDRM
CC(=O)C1(NS(=O)(=O)CC2(C#N)CCC2)CC1	ZINC000632448626	371073504	/nfs/dbraw/zinc/07/35/04/371073504.db2.gz	FJLSOQAPFIIPKV-UHFFFAOYSA-N	-1	0	256.327	0.721	20	30		CCEDRM
C=C(C)C[C@@H](NS(=O)(=O)C[C@H](OC)C1CC1)C(=O)[O-]	ZINC000634654663	372126821	/nfs/dbraw/zinc/12/68/21/372126821.db2.gz	PPSOQSZTJQJBBO-MNOVXSKESA-N	-1	0	291.369	0.750	20	30		CCEDRM
C=C(C)C[C@@H](NC(=O)c1cnn2c1CCC2)C(=O)[O-]	ZINC000637794482	374317631	/nfs/dbraw/zinc/31/76/31/374317631.db2.gz	HYDJMSUQJBMRTF-SNVBAGLBSA-N	-1	0	263.297	0.979	20	30		CCEDRM
C=CCOC[C@H](NC(=O)NC[C@@]1(C)CC1(F)F)C(=O)[O-]	ZINC000656598319	412833556	/nfs/dbraw/zinc/83/35/56/412833556.db2.gz	AWYNQEARGHMJQD-GZMMTYOYSA-N	-1	0	292.282	0.987	20	30		CCEDRM
C=CCOCCCNC(=O)N[C@]1(C(=O)[O-])CCSC1	ZINC000656595833	412833594	/nfs/dbraw/zinc/83/35/94/412833594.db2.gz	SDUUCIXKFBHKLA-GFCCVEGCSA-N	-1	0	288.369	0.839	20	30		CCEDRM
C=CCNC(=O)[C@@H](C)N1CCC(c2n[n-]c(=N)o2)CC1	ZINC000639727657	375955647	/nfs/dbraw/zinc/95/56/47/375955647.db2.gz	WNQMWDSYFAFYEJ-SECBINFHSA-N	-1	0	279.344	0.352	20	30		CCEDRM
CC#CCNC(=O)N=c1[n-]nc([C@H]2CCCO2)s1	ZINC000640744293	376517735	/nfs/dbraw/zinc/51/77/35/376517735.db2.gz	DBOIMCHRSNYLIF-MRVPVSSYSA-N	-1	0	266.326	0.956	20	30		CCEDRM
C=CC[C@H](CO)NS(=O)(=O)c1ccccc1[O-]	ZINC000656959868	412868591	/nfs/dbraw/zinc/86/85/91/412868591.db2.gz	QJBQKXLOLBJYOH-SECBINFHSA-N	-1	0	257.311	0.608	20	30		CCEDRM
COCCNC(=O)C(C#N)=C([O-])c1cnc(C)nc1C	ZINC000777302840	581112433	/nfs/dbraw/zinc/11/24/33/581112433.db2.gz	RYMDEWUQBXJDLY-SNVBAGLBSA-N	-1	0	276.296	0.179	20	30		CCEDRM
C#CCO[N-]C(=O)C1CN(C(=O)OC(C)(C)C)C1	ZINC000291205320	388919116	/nfs/dbraw/zinc/91/91/16/388919116.db2.gz	HZNAAUQUMWHJCT-UHFFFAOYSA-N	-1	0	254.286	0.534	20	30		CCEDRM
C=CCCCS(=O)(=O)NC[C@@](C)(CO)CC(=O)[O-]	ZINC000291873089	388942040	/nfs/dbraw/zinc/94/20/40/388942040.db2.gz	LSKZOTUAMDGBCD-NSHDSACASA-N	-1	0	279.358	0.345	20	30		CCEDRM
C=CCN(CC=C)C(=O)c1c[nH]c2nc(=O)[n-]c(=O)c-2c1	ZINC000097029294	389065972	/nfs/dbraw/zinc/06/59/72/389065972.db2.gz	HBFIZEQNRYKMQD-UHFFFAOYSA-N	-1	0	286.291	0.838	20	30		CCEDRM
O=C(NC[C@@H]1CCC2(CCOCC2)[C@H]1O)c1cn[nH]n1	ZINC000328713849	389133204	/nfs/dbraw/zinc/13/32/04/389133204.db2.gz	SDVMFYWPKNCXHW-ONGXEEELSA-N	-1	0	280.328	0.677	20	30		CCEDRM
C=C[C@@H]1CCCCN1C(=O)C(=O)N=c1ccc(OC)n[n-]1	ZINC000342240913	389203340	/nfs/dbraw/zinc/20/33/40/389203340.db2.gz	WBCVUENRRMJGTM-SNVBAGLBSA-N	-1	0	290.323	0.413	20	30		CCEDRM
C=CCCC(=O)N[C@H]1CCN([C@@H](C(=O)[O-])C(C)C)C1=O	ZINC000358710517	389158800	/nfs/dbraw/zinc/15/88/00/389158800.db2.gz	HCOQOJMZVHSFJP-CMPLNLGQSA-N	-1	0	282.340	0.779	20	30		CCEDRM
N#Cc1ccc(C(=O)NC2(c3nnn[n-]3)CCCC2)o1	ZINC000340464308	389160892	/nfs/dbraw/zinc/16/08/92/389160892.db2.gz	NYKJUNDRBAFUMA-UHFFFAOYSA-N	-1	0	272.268	0.864	20	30		CCEDRM
C[C@@H](C#N)NC(=O)c1cc(F)ccc1[N-]S(C)(=O)=O	ZINC000125714256	389167074	/nfs/dbraw/zinc/16/70/74/389167074.db2.gz	SEBHARAXUMXBMW-ZETCQYMHSA-N	-1	0	285.300	0.839	20	30		CCEDRM
C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)[C@@H](C)C(=O)[O-]	ZINC000133232853	389232784	/nfs/dbraw/zinc/23/27/84/389232784.db2.gz	MUVGFWBGFKKJQN-RKDXNWHRSA-N	-1	0	282.321	0.946	20	30		CCEDRM
COc1n[nH]c(NC(=O)COc2ccccc2C#N)n1	ZINC000158176560	389336935	/nfs/dbraw/zinc/33/69/35/389336935.db2.gz	FCIFJHDMXXALGP-UHFFFAOYSA-N	-1	0	273.252	0.702	20	30		CCEDRM
CNc1nc(C)cc(C(=O)N=c2[n-]n(C(C)C)cc2C#N)n1	ZINC000410542396	389385680	/nfs/dbraw/zinc/38/56/80/389385680.db2.gz	REOFONHIIYEIGQ-UHFFFAOYSA-N	-1	0	299.338	0.572	20	30		CCEDRM
C=C[C@H](CO)NC(=O)N=c1[n-]nc(-c2ccco2)s1	ZINC000350005120	389476350	/nfs/dbraw/zinc/47/63/50/389476350.db2.gz	DPPGHQHAGJHKKL-SSDOTTSWSA-N	-1	0	280.309	0.888	20	30		CCEDRM
CC[C@@H](C#N)NC(=O)c1cc(C)c2c(=O)[n-]c(=O)nc-2[nH]1	ZINC000172638388	389491826	/nfs/dbraw/zinc/49/18/26/389491826.db2.gz	RKOHAXJXBSXYTR-ZETCQYMHSA-N	-1	0	287.279	0.364	20	30		CCEDRM
N#Cc1cccc(NC(=O)C(=O)N2CCC[C@H]2C(=O)[O-])c1	ZINC000422659704	389452053	/nfs/dbraw/zinc/45/20/53/389452053.db2.gz	IMEMFBVJPXIJHZ-NSHDSACASA-N	-1	0	287.275	0.572	20	30		CCEDRM
C=CCCn1cc(C(=O)NC(C)(C)C(=O)[O-])nn1	ZINC000425251548	389642703	/nfs/dbraw/zinc/64/27/03/389642703.db2.gz	XYICFPKUWOZZSN-UHFFFAOYSA-N	-1	0	252.274	0.447	20	30		CCEDRM
C=CCCn1cc(C(=O)N(CC(=O)[O-])C2CC2)nn1	ZINC000425249043	389642776	/nfs/dbraw/zinc/64/27/76/389642776.db2.gz	SHYVNCHPQLCNEP-UHFFFAOYSA-N	-1	0	264.285	0.543	20	30		CCEDRM
Cc1cnn(C)c1S(=O)(=O)[N-]c1ncccc1C#N	ZINC000351393546	389580722	/nfs/dbraw/zinc/58/07/22/389580722.db2.gz	CDZYADXMRPBCAG-UHFFFAOYSA-N	-1	0	277.309	0.796	20	30		CCEDRM
Cn1nccc1/C=C/C(=O)[N-]S(=O)(=O)CCCC#N	ZINC000181270247	389683062	/nfs/dbraw/zinc/68/30/62/389683062.db2.gz	PPIIHAAMMUVRBP-SNAWJCMRSA-N	-1	0	282.325	0.183	20	30		CCEDRM
CC(=O)Nc1nc(C(=O)N=c2[nH][n-]c(C)c2C#N)cs1	ZINC000431686668	389864759	/nfs/dbraw/zinc/86/47/59/389864759.db2.gz	SBOPISBZTAYJDG-UHFFFAOYSA-N	-1	0	290.308	0.679	20	30		CCEDRM
C=CC[C@H](CC)NC(=O)C(=O)N1CCC[C@@H](C(=O)[O-])C1	ZINC000420556069	390012336	/nfs/dbraw/zinc/01/23/36/390012336.db2.gz	JJSSYUMRYSZLRJ-MNOVXSKESA-N	-1	0	282.340	0.781	20	30		CCEDRM
C=C(CC)CNC(=O)C(=O)N1CC[C@@H](C(=O)[O-])C1	ZINC000420583167	390014313	/nfs/dbraw/zinc/01/43/13/390014313.db2.gz	NARVVFGXIHLPDW-SECBINFHSA-N	-1	0	254.286	0.002	20	30		CCEDRM
COCCn1ccc(C(=O)Nc2nc(C#N)c(C#N)[n-]2)n1	ZINC000440307068	390034938	/nfs/dbraw/zinc/03/49/38/390034938.db2.gz	OAVPAYPFOQVTMA-UHFFFAOYSA-N	-1	0	285.267	0.248	20	30		CCEDRM
N#CCOc1ccc(/C=C\C(=O)NCc2n[n-]c(=N)o2)cc1	ZINC000492754749	390118465	/nfs/dbraw/zinc/11/84/65/390118465.db2.gz	WGUVZELMXNAXCD-UTCJRWHESA-N	-1	0	299.290	0.714	20	30		CCEDRM
C#CCCS(=O)(=O)[N-]C(=O)/C=C/c1cccnc1	ZINC000493024084	390118811	/nfs/dbraw/zinc/11/88/11/390118811.db2.gz	MQOKJSGEYJTXID-VOTSOKGWSA-N	-1	0	264.306	0.564	20	30		CCEDRM
C=CCOC[C@@H](NS(=O)(=O)c1cccc(C)c1)C(=O)[O-]	ZINC000579588965	390188402	/nfs/dbraw/zinc/18/84/02/390188402.db2.gz	PSTSBQDOWILDMM-GFCCVEGCSA-N	-1	0	299.348	0.929	20	30		CCEDRM
N#Cc1ccc(S(=O)(=O)N2CC[C@@H](C(=O)[O-])C2)c(F)c1	ZINC000536294340	390159628	/nfs/dbraw/zinc/15/96/28/390159628.db2.gz	MDTWXZBSZDAPQW-SECBINFHSA-N	-1	0	298.295	0.793	20	30		CCEDRM
C=CCN(CCC#N)CCCOC(=O)NC(N)=O	ZINC000496791461	390364349	/nfs/dbraw/zinc/36/43/49/390364349.db2.gz	FRJQTLIGQQQXEA-UHFFFAOYSA-N	-1	0	254.290	0.583	20	30		CCEDRM
CCn1cc(CC(=O)Nc2nc(C#N)c(C#N)[n-]2)cn1	ZINC000554500150	390428697	/nfs/dbraw/zinc/42/86/97/390428697.db2.gz	RYKQOCVDNZWLTQ-UHFFFAOYSA-N	-1	0	269.268	0.551	20	30		CCEDRM
C=CCCCS(=O)(=O)N1CCO[C@H](CC(=O)[O-])C1	ZINC000563072616	390492539	/nfs/dbraw/zinc/49/25/39/390492539.db2.gz	RORWVHGPWJXMEE-SNVBAGLBSA-N	-1	0	277.342	0.458	20	30		CCEDRM
C[C@@H](CC#N)N(C)S(=O)(=O)N(C)CCCC(=O)[O-]	ZINC000565054544	390499474	/nfs/dbraw/zinc/49/94/74/390499474.db2.gz	LZYPBIRKTVDOFC-VIFPVBQESA-N	-1	0	277.346	0.262	20	30		CCEDRM
CCOC(=O)N[C@@H](C(=O)N=c1[nH][n-]c(C)c1C#N)C(C)C	ZINC000497263789	390445747	/nfs/dbraw/zinc/44/57/47/390445747.db2.gz	LCTOTIQCKIKWAC-SNVBAGLBSA-N	-1	0	293.327	0.721	20	30		CCEDRM
C=CC[C@@H](NS(=O)(=O)C1(COC)CC1)C(=O)[O-]	ZINC000646041138	390580998	/nfs/dbraw/zinc/58/09/98/390580998.db2.gz	XHWQXJIDWOIYTG-MRVPVSSYSA-N	-1	0	263.315	0.114	20	30		CCEDRM
C=CCn1cc(C(=O)N(CCC(=O)[O-])C2CC2)nn1	ZINC000649244204	390535194	/nfs/dbraw/zinc/53/51/94/390535194.db2.gz	SEKVUHJJTWLODU-UHFFFAOYSA-N	-1	0	264.285	0.543	20	30		CCEDRM
C=CCn1cc(C(=O)N2C[C@@H]3CCC[C@@H]3[C@@H]2C(=O)[O-])nn1	ZINC000649249938	390537598	/nfs/dbraw/zinc/53/75/98/390537598.db2.gz	WKMGNWZPGZSJLO-JBLDHEPKSA-N	-1	0	290.323	0.789	20	30		CCEDRM
C=CCOC[C@@H](NC(=O)c1cn(C2CCC2)nn1)C(=O)[O-]	ZINC000649250760	390538227	/nfs/dbraw/zinc/53/82/27/390538227.db2.gz	WYIRAMLSJPIGRL-LLVKDONJSA-N	-1	0	294.311	0.389	20	30		CCEDRM
C=CCCCS(=O)(=O)N[C@@](C)(COC)CC(=O)[O-]	ZINC000646029801	390575751	/nfs/dbraw/zinc/57/57/51/390575751.db2.gz	MRQHPVRCDKIACD-LLVKDONJSA-N	-1	0	279.358	0.752	20	30		CCEDRM
C=C[C@@H](CCC(=O)[O-])NS(=O)(=O)CCCOC	ZINC000569323225	390715946	/nfs/dbraw/zinc/71/59/46/390715946.db2.gz	VIDGWIATSHKGJN-VIFPVBQESA-N	-1	0	265.331	0.362	20	30		CCEDRM
C=C[C@H](CCC(=O)[O-])NS(=O)(=O)CCCOC	ZINC000569323224	390716001	/nfs/dbraw/zinc/71/60/01/390716001.db2.gz	VIDGWIATSHKGJN-SECBINFHSA-N	-1	0	265.331	0.362	20	30		CCEDRM
CSc1[n-]c(=O)c(C(=O)N[C@H]2[C@@H]3COC[C@@H]32)cc1C#N	ZINC000527271230	390699759	/nfs/dbraw/zinc/69/97/59/390699759.db2.gz	HJRMFJWSRDPTSL-MYJAWHEDSA-N	-1	0	291.332	0.755	20	30		CCEDRM
CCn1ncc(C#N)c1[N-]S(=O)(=O)C[C@H](OC)C1CC1	ZINC000572602420	390791747	/nfs/dbraw/zinc/79/17/47/390791747.db2.gz	PDKIYNALAOOMHC-NSHDSACASA-N	-1	0	298.368	0.941	20	30		CCEDRM
CCc1cc(C(=O)N=c2[nH][n-]c(C)c2C#N)c(C)nn1	ZINC000577975286	390856445	/nfs/dbraw/zinc/85/64/45/390856445.db2.gz	GJZUNAOBUYLMGC-UHFFFAOYSA-N	-1	0	270.296	0.925	20	30		CCEDRM
C=CC[C@H](C)NS(=O)(=O)c1c(C(=O)[O-])cnn1C	ZINC000530155642	390875925	/nfs/dbraw/zinc/87/59/25/390875925.db2.gz	WGCUZFRVCUHRLO-ZETCQYMHSA-N	-1	0	273.314	0.361	20	30		CCEDRM
CC1(c2nc(=NC(=O)Cn3cnc(C#N)n3)s[n-]2)CC1	ZINC000529697508	390852584	/nfs/dbraw/zinc/85/25/84/390852584.db2.gz	HCUOSAWNQHEQIO-UHFFFAOYSA-N	-1	0	289.324	0.113	20	30		CCEDRM
C=CCCO[C@@H](C)C(=O)N1CCOC[C@H]1C(=O)[O-]	ZINC000262510469	131227541	/nfs/dbraw/zinc/22/75/41/131227541.db2.gz	OVBTZCJWAHPVRE-UWVGGRQHSA-N	-1	0	257.286	0.280	20	30		CCEDRM
CC[C@@H](NC(=O)COc1ccc(C#N)cc1OC)C(=O)[O-]	ZINC000262527958	131229733	/nfs/dbraw/zinc/22/97/33/131229733.db2.gz	SBDKCFXFHGQNJN-SNVBAGLBSA-N	-1	0	292.291	0.925	20	30		CCEDRM
Cc1nn(C)c2ncc(C(=O)N=c3[nH][n-]c(C)c3C#N)cc12	ZINC000357240945	144072497	/nfs/dbraw/zinc/07/24/97/144072497.db2.gz	JBQQHNVCVUHLJS-UHFFFAOYSA-N	-1	0	295.306	0.854	20	30		CCEDRM
Cc1[n-][nH]c(=NC(=O)[C@@H]2CC(=O)N(C(C)(C)C)C2)c1C#N	ZINC000357265391	144075829	/nfs/dbraw/zinc/07/58/29/144075829.db2.gz	WYLHSRPFGHMWLR-SECBINFHSA-N	-1	0	289.339	0.597	20	30		CCEDRM
C=C[C@@](C)(CCOC)C(=O)NCc1n[nH]c(=O)[n-]1	ZINC000437910684	397535878	/nfs/dbraw/zinc/53/58/78/397535878.db2.gz	QYQVIEUMFCZIQQ-NSHDSACASA-N	-1	0	254.290	0.355	20	30		CCEDRM
CC(C)(CC(=O)[O-])NS(=O)(=O)c1ccc(C#N)o1	ZINC000548770267	286066767	/nfs/dbraw/zinc/06/67/67/286066767.db2.gz	WNVMTOREAZRNCC-UHFFFAOYSA-N	-1	0	272.282	0.683	20	30		CCEDRM
C=CCOC[C@@H](NC(=O)c1c(Cl)cnn1C)C(=O)[O-]	ZINC000659155950	413318808	/nfs/dbraw/zinc/31/88/08/413318808.db2.gz	HBZXDOVNNUGYSD-MRVPVSSYSA-N	-1	0	287.703	0.459	20	30		CCEDRM
C=CCCn1cc(C(=O)N2CC3CC2(C(=O)[O-])C3)nn1	ZINC000659178358	413332851	/nfs/dbraw/zinc/33/28/51/413332851.db2.gz	BQSUTLQENMYECL-UHFFFAOYSA-N	-1	0	276.296	0.543	20	30		CCEDRM
C=C(C)CN(C)S(=O)(=O)N1CCC[C@@H](C(=O)[O-])C1	ZINC000219287829	411737153	/nfs/dbraw/zinc/73/71/53/411737153.db2.gz	HREUATNOTSXYAP-SNVBAGLBSA-N	-1	0	276.358	0.536	20	30		CCEDRM
C=CCN(CC(=O)[O-])S(=O)(=O)c1cccc(OC)c1	ZINC000130524720	411722499	/nfs/dbraw/zinc/72/24/99/411722499.db2.gz	KBZFCCAYHFNZKA-UHFFFAOYSA-N	-1	0	285.321	0.957	20	30		CCEDRM
N#Cc1cccc(S(=O)(=O)NCCCC(=O)[O-])c1	ZINC000021503684	171306889	/nfs/dbraw/zinc/30/68/89/171306889.db2.gz	CISYQDICLFLJAG-UHFFFAOYSA-N	-1	0	268.294	0.701	20	30		CCEDRM
C=C[C@@H]1OCC[C@H]1NC(=O)N1C[C@@H]2COC[C@]2(C(=O)[O-])C1	ZINC000659406862	413476020	/nfs/dbraw/zinc/47/60/20/413476020.db2.gz	VCNWEPLGYCNFDC-NJBDSQKTSA-N	-1	0	296.323	0.073	20	30		CCEDRM
C=CCCOCC(=O)N1C[C@@H](OC)C[C@@H]1CC(=O)[O-]	ZINC000653668237	412334341	/nfs/dbraw/zinc/33/43/41/412334341.db2.gz	ZVNLJSRMXGLRSI-MNOVXSKESA-N	-1	0	271.313	0.670	20	30		CCEDRM
C=CC[C@@H]1CCCN(C(=O)C(=O)N2CC[C@@H](C(=O)[O-])C2)C1	ZINC000662911291	414886231	/nfs/dbraw/zinc/88/62/31/414886231.db2.gz	CNPVCQVHIBVLCX-VXGBXAGGSA-N	-1	0	294.351	0.734	20	30		CCEDRM
C=CC[C@H]1CCCN(C(=O)C(=O)N(C)C[C@H](C)C(=O)[O-])C1	ZINC000662914701	414888851	/nfs/dbraw/zinc/88/88/51/414888851.db2.gz	UFQASQYUAPPZKQ-RYUDHWBXSA-N	-1	0	296.367	0.980	20	30		CCEDRM
CC[C@@H]1C[C@H](C(=O)Nc2nc(C#N)c(C#N)[n-]2)CC(=O)N1	ZINC000350009117	287295313	/nfs/dbraw/zinc/29/53/13/287295313.db2.gz	POBYANSEMPGMLY-JGVFFNPUSA-N	-1	0	286.295	0.396	20	30		CCEDRM
C=CCCN(C)C(=O)C(=O)NC[C@H](C(=O)[O-])C1CCC1	ZINC000663634652	415100127	/nfs/dbraw/zinc/10/01/27/415100127.db2.gz	OKDDPEMYCYMUFL-NSHDSACASA-N	-1	0	282.340	0.638	20	30		CCEDRM
C=CCCOCCNC(=O)N1CCO[C@@H](C(=O)[O-])C1	ZINC000231835883	544860262	/nfs/dbraw/zinc/86/02/62/544860262.db2.gz	XYOSHMMEAITYEB-SNVBAGLBSA-N	-1	0	272.301	0.074	20	30		CCEDRM
Cn1cc(C(=O)NC[C@H](O)C2CCCCC2)c(=O)[nH]c1=O	ZINC000328898692	545020425	/nfs/dbraw/zinc/02/04/25/545020425.db2.gz	WUOCRMULIWNYSO-NSHDSACASA-N	-1	0	295.339	0.732	20	30		CCEDRM
COc1ccc(C(=O)N2CCN(CC#N)CC2)c(O)c1	ZINC000071138077	260159790	/nfs/dbraw/zinc/15/97/90/260159790.db2.gz	QGYKASMQKROGEX-UHFFFAOYSA-N	-1	0	275.308	0.682	20	30		CCEDRM
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N=c1[nH][n-]c(C)c1C#N	ZINC000357256056	260169415	/nfs/dbraw/zinc/16/94/15/260169415.db2.gz	KFFFFNAZJSOVLK-ONGXEEELSA-N	-1	0	260.297	0.931	20	30		CCEDRM
C=CCN(CC(=O)[O-])S(=O)(=O)N(C)[C@H](C)CC#N	ZINC000518383284	260393752	/nfs/dbraw/zinc/39/37/52/260393752.db2.gz	ITTMLTAWVZXWNE-SECBINFHSA-N	-1	0	275.330	0.038	20	30		CCEDRM
C#CCN(CC)CC1=Nc2ccccc2S(=O)(=O)[N-]1	ZINC000490838544	261221465	/nfs/dbraw/zinc/22/14/65/261221465.db2.gz	CKMYFVHBLFVCRD-UHFFFAOYSA-N	-1	0	277.349	0.964	20	30		CCEDRM
C=CC[C@H](CO)NC(=O)c1ccc([N+](=O)[O-])cc1[O-]	ZINC000187364500	262401392	/nfs/dbraw/zinc/40/13/92/262401392.db2.gz	YJVGNHYKWMJQME-MRVPVSSYSA-N	-1	0	266.253	0.967	20	30		CCEDRM
N#C[C@@H]1COCCN1C(=O)c1cccc([O-])c1[N+](=O)[O-]	ZINC000281069806	263066239	/nfs/dbraw/zinc/06/62/39/263066239.db2.gz	ZQNBPYHNHCUTBE-MRVPVSSYSA-N	-1	0	277.236	0.665	20	30		CCEDRM
CO[C@H](C)CS(=O)(=O)[N-]c1cc(C)n(CCC#N)n1	ZINC000282220380	263075205	/nfs/dbraw/zinc/07/52/05/263075205.db2.gz	NWFWDPYBTKQMOA-SNVBAGLBSA-N	-1	0	286.357	0.882	20	30		CCEDRM
C=C[C@@H](CO)NC(=O)N=c1nc2cc(Cl)ccn2[n-]1	ZINC000353522603	263115910	/nfs/dbraw/zinc/11/59/10/263115910.db2.gz	NQIFQGWTBPRVCQ-QMMMGPOBSA-N	-1	0	281.703	0.473	20	30		CCEDRM
CC1(C)C[C@@]1(C#N)NC(=O)c1c[nH]c2nc(=O)[n-]c(=O)c-2c1	ZINC000292438360	263132198	/nfs/dbraw/zinc/13/21/98/263132198.db2.gz	JRBUXEKCXLZAPR-AWEZNQCLSA-N	-1	0	299.290	0.858	20	30		CCEDRM
C=C(CNC(=O)C(=O)N=c1ncn(C)[n-]1)c1ccccc1	ZINC000340492196	263172386	/nfs/dbraw/zinc/17/23/86/263172386.db2.gz	XPKIGIFNMJNEAQ-UHFFFAOYSA-N	-1	0	285.307	0.005	20	30		CCEDRM
Cc1nc(C(=O)NCCc2nc(=O)o[n-]2)c(C)o1	ZINC000330577199	263978806	/nfs/dbraw/zinc/97/88/06/263978806.db2.gz	GWMJMEOFIJXYNV-UHFFFAOYSA-N	-1	0	252.230	0.515	20	30		CCEDRM
C[C@H](CCS(C)(=O)=O)NC(=O)N=c1cn[n-]s1	ZINC000331138777	264135852	/nfs/dbraw/zinc/13/58/52/264135852.db2.gz	DNJVUXHIWUSPPT-ZCFIWIBFSA-N	-1	0	278.359	0.687	20	30		CCEDRM
C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)c1cnc([O-])n(C)c1=O	ZINC000281187865	264475955	/nfs/dbraw/zinc/47/59/55/264475955.db2.gz	CAIVJQVDHJGRCT-KOLCDFICSA-N	-1	0	293.323	0.197	20	30		CCEDRM
CC#CC[C@H](NS(=O)(=O)c1ccsc1)C(=O)[O-]	ZINC000285294218	264553388	/nfs/dbraw/zinc/55/33/88/264553388.db2.gz	XPROVBKQNSSPNO-VIFPVBQESA-N	-1	0	273.335	0.893	20	30		CCEDRM
C#CCO[N-]C(=O)CNC(=O)c1ccc(OC)c(OC)c1	ZINC000291203736	264815132	/nfs/dbraw/zinc/81/51/32/264815132.db2.gz	HVMBVAQPCIRBJS-UHFFFAOYSA-N	-1	0	292.291	0.115	20	30		CCEDRM
C=CCN=c1[n-]nc(Sc2nccn(C)c2=O)s1	ZINC000361162169	266793166	/nfs/dbraw/zinc/79/31/66/266793166.db2.gz	RQXYPMAYSLLVDZ-UHFFFAOYSA-N	-1	0	281.366	0.803	20	30		CCEDRM
CCCC(=O)N1CC(n2cc(C#N)c(=O)[n-]c2=O)C1	ZINC000530268080	266998481	/nfs/dbraw/zinc/99/84/81/266998481.db2.gz	RYXHMJDYWOUTHE-UHFFFAOYSA-N	-1	0	262.269	0.004	20	30		CCEDRM
N#Cc1ncccc1S(=O)(=O)N1CCCC[C@H]1C(=O)[O-]	ZINC000236435010	303217589	/nfs/dbraw/zinc/21/75/89/303217589.db2.gz	MOHJMTBLMATURT-JTQLQIEISA-N	-1	0	295.320	0.581	20	30		CCEDRM
CCOC(=O)c1[nH]c(=O)n(-c2ccc(CC#N)cc2)c1[O-]	ZINC000278070400	328223216	/nfs/dbraw/zinc/22/32/16/328223216.db2.gz	NGLQMNAHKWYIKM-NSHDSACASA-N	-1	0	287.275	0.741	20	30		CCEDRM
C=C(C)CNC(=O)c1cc(S(=O)(=O)N(C)C)ccc1[O-]	ZINC000428106201	328537769	/nfs/dbraw/zinc/53/77/69/328537769.db2.gz	HTCSWCKPDNVKQG-UHFFFAOYSA-N	-1	0	298.364	0.948	20	30		CCEDRM
C=C[C@@H]1OCC[C@H]1N=c1ccc(C(=O)NCC)n[n-]1	ZINC000582162854	328589934	/nfs/dbraw/zinc/58/99/34/328589934.db2.gz	SWFRCQPPONHTHN-KOLCDFICSA-N	-1	0	262.313	0.404	20	30		CCEDRM
C=CCOC[C@H](NC(=O)NC1CCCC1)C(=O)[O-]	ZINC000557625810	327017053	/nfs/dbraw/zinc/01/70/53/327017053.db2.gz	LQYQILHEORSPOZ-JTQLQIEISA-N	-1	0	256.302	0.884	20	30		CCEDRM
CC#CC[C@@H](NS(=O)(=O)CCOCC1CC1)C(=O)[O-]	ZINC000564855089	327021473	/nfs/dbraw/zinc/02/14/73/327021473.db2.gz	CRAPIGSENJJZIB-LLVKDONJSA-N	-1	0	289.353	0.199	20	30		CCEDRM
C=C(C)CS(=O)(=O)N[C@@H](C(=O)[O-])[C@@H]1CCCOC1	ZINC000569336811	327030661	/nfs/dbraw/zinc/03/06/61/327030661.db2.gz	OLMFNYNUMATGEW-NXEZZACHSA-N	-1	0	277.342	0.362	20	30		CCEDRM
N#C[C@@H]1CN(C(=O)c2cc([O-])ccc2[N+](=O)[O-])CCO1	ZINC000217315964	327158782	/nfs/dbraw/zinc/15/87/82/327158782.db2.gz	SBAIQBJUPHUSOJ-SECBINFHSA-N	-1	0	277.236	0.665	20	30		CCEDRM
C=CCOC[C@H](NC(=O)NC[C@@]1(C)CCOC1)C(=O)[O-]	ZINC000562459800	327482729	/nfs/dbraw/zinc/48/27/29/327482729.db2.gz	RYXJPJITPVMLHP-GXFFZTMASA-N	-1	0	286.328	0.368	20	30		CCEDRM
C=C[C@@H]1CCCCN1C(=O)c1cnc([O-])n(C)c1=O	ZINC000335907573	328733824	/nfs/dbraw/zinc/73/38/24/328733824.db2.gz	YFMKJFOUVFHYLD-SECBINFHSA-N	-1	0	263.297	0.667	20	30		CCEDRM
C=C(C)CS(=O)(=O)N1CCn2cccc2[C@H]1C(=O)[O-]	ZINC000583087767	329308875	/nfs/dbraw/zinc/30/88/75/329308875.db2.gz	HKULKJYHNCKFQQ-NSHDSACASA-N	-1	0	284.337	0.835	20	30		CCEDRM
C=CCN(CC(=O)[O-])C(=O)c1cnn2c1CCCC2	ZINC000191249818	329411408	/nfs/dbraw/zinc/41/14/08/329411408.db2.gz	UVSJIFSNOBCPQE-UHFFFAOYSA-N	-1	0	263.297	0.932	20	30		CCEDRM
CN(CCC#N)S(=O)(=O)NC[C@@H](CC(=O)[O-])C(F)F	ZINC000584494566	329501936	/nfs/dbraw/zinc/50/19/36/329501936.db2.gz	POQDRFFNPBZMPQ-SSDOTTSWSA-N	-1	0	299.299	0.022	20	30		CCEDRM
CC#CCCCC(=O)[N-]S(=O)(=O)C[C@@H](C)OC	ZINC000764194232	582035593	/nfs/dbraw/zinc/03/55/93/582035593.db2.gz	MZKXDRQYCJGJLQ-SNVBAGLBSA-N	-1	0	261.343	0.661	20	30		CCEDRM
C=CCOc1cccnc1C(=O)N[C@H](CCOC)C(=O)[O-]	ZINC000262305678	330005279	/nfs/dbraw/zinc/00/52/79/330005279.db2.gz	ORAHBCDJALYVCJ-SNVBAGLBSA-N	-1	0	294.307	0.866	20	30		CCEDRM
N#CC1(CS(=O)(=O)N2CCC[C@H]2C(=O)[O-])CCCC1	ZINC000262449328	330013826	/nfs/dbraw/zinc/01/38/26/330013826.db2.gz	QTSRLQCTPNHUTC-JTQLQIEISA-N	-1	0	286.353	0.949	20	30		CCEDRM
C=CCOC[C@@H](NC(=O)c1cccnc1OC)C(=O)[O-]	ZINC000262875797	330036042	/nfs/dbraw/zinc/03/60/42/330036042.db2.gz	BTCHCYLKYQVNSW-SNVBAGLBSA-N	-1	0	280.280	0.476	20	30		CCEDRM
C=CCOC[C@H](NC(=O)c1cc(C2CC2)no1)C(=O)[O-]	ZINC000262969522	330037729	/nfs/dbraw/zinc/03/77/29/330037729.db2.gz	JVQZFDJFIHQJFP-JTQLQIEISA-N	-1	0	280.280	0.938	20	30		CCEDRM
C=CCC[C@H](NC(=O)c1nccnc1N)C(=O)[O-]	ZINC000263007893	330038515	/nfs/dbraw/zinc/03/85/15/330038515.db2.gz	WYBLNBWBKXBIML-ZETCQYMHSA-N	-1	0	250.258	0.208	20	30		CCEDRM
C=CCOC[C@H](NC(=O)c1ccn(C(C)C)n1)C(=O)[O-]	ZINC000263154477	330046370	/nfs/dbraw/zinc/04/63/70/330046370.db2.gz	XQGYIPHPKUNQLP-NSHDSACASA-N	-1	0	281.312	0.850	20	30		CCEDRM
C=CCOc1cccnc1C(=O)N(C)CC(=O)[O-]	ZINC000263261195	330051164	/nfs/dbraw/zinc/05/11/64/330051164.db2.gz	MMDZNWOIVURZQE-UHFFFAOYSA-N	-1	0	250.254	0.803	20	30		CCEDRM
C=C(C)CS(=O)(=O)N1C[C@H](C(=O)[O-])C[C@H](C)C1	ZINC000263290469	330051734	/nfs/dbraw/zinc/05/17/34/330051734.db2.gz	YQXIBWYXFYTERX-VHSXEESVSA-N	-1	0	261.343	0.935	20	30		CCEDRM
C=C(C)CS(=O)(=O)N1C[C@@H](C)C[C@H](C(=O)[O-])C1	ZINC000263290468	330051844	/nfs/dbraw/zinc/05/18/44/330051844.db2.gz	YQXIBWYXFYTERX-UWVGGRQHSA-N	-1	0	261.343	0.935	20	30		CCEDRM
CCN(C[C@@H](C)C#N)S(=O)(=O)N1CCC[C@H]1C(=O)[O-]	ZINC000263549143	330059441	/nfs/dbraw/zinc/05/94/41/330059441.db2.gz	JKESYOFWPOWDJG-UWVGGRQHSA-N	-1	0	289.357	0.262	20	30		CCEDRM
N#Cc1c(C2CC2)[n-][nH]c1=NC(=O)c1cn2c(n1)CCC2	ZINC000574991657	330126607	/nfs/dbraw/zinc/12/66/07/330126607.db2.gz	CGMBXSQTHVQERM-UHFFFAOYSA-N	-1	0	282.307	0.976	20	30		CCEDRM
C=CCCCN(C)C(=O)C(=O)N1C[C@@H](C)C[C@H](C(=O)[O-])C1	ZINC000422837499	330156822	/nfs/dbraw/zinc/15/68/22/330156822.db2.gz	USVVZMKITBIVLH-RYUDHWBXSA-N	-1	0	296.367	0.980	20	30		CCEDRM
C=C(C)C[C@@H](C)C(=O)N1CCS(=O)(=O)[C@@H](C(=O)[O-])C1	ZINC000424242221	330331287	/nfs/dbraw/zinc/33/12/87/330331287.db2.gz	LZTJKYUWTIFANA-NXEZZACHSA-N	-1	0	289.353	0.299	20	30		CCEDRM
N#CC1(C(=O)N2CCC[C@H](c3nnn[n-]3)C2)CCCC1	ZINC000533113567	330345373	/nfs/dbraw/zinc/34/53/73/330345373.db2.gz	CDMSMMXRFKGNQV-JTQLQIEISA-N	-1	0	274.328	0.990	20	30		CCEDRM
CN(CCCC(=O)[O-])C(=O)C(=O)N[C@@H]1CC[C@H](C#N)C1	ZINC000424514471	330362665	/nfs/dbraw/zinc/36/26/65/330362665.db2.gz	ZRXFBXNHUZTAMB-VHSXEESVSA-N	-1	0	281.312	0.118	20	30		CCEDRM
C=CCOC[C@@H](NC(=O)c1ccnn1CC(C)C)C(=O)[O-]	ZINC000520822141	330462064	/nfs/dbraw/zinc/46/20/64/330462064.db2.gz	DIRUDUSBNNVSMG-LLVKDONJSA-N	-1	0	295.339	0.925	20	30		CCEDRM
C#C[C@@H](NS(=O)(=O)[N-]CC(F)(F)F)C(C)C	ZINC000300968575	331955729	/nfs/dbraw/zinc/95/57/29/331955729.db2.gz	RWIBNAQCNWZFCR-SSDOTTSWSA-N	-1	0	258.265	0.631	20	30		CCEDRM
C=CCN=c1[n-]nc(S[C@@H]2CCCNC2=O)s1	ZINC000487214908	331959688	/nfs/dbraw/zinc/95/96/88/331959688.db2.gz	LAYYAULSMNZDFF-SSDOTTSWSA-N	-1	0	270.383	0.929	20	30		CCEDRM
C#CCN(C)C(=O)N=c1ccc(-c2cnn(C)c2)n[n-]1	ZINC000491154263	332157633	/nfs/dbraw/zinc/15/76/33/332157633.db2.gz	HTFPPRPUXFBENW-UHFFFAOYSA-N	-1	0	270.296	0.396	20	30		CCEDRM
C#C[C@H]1COCCN1C(=O)N=c1cc(C)c(C)n[n-]1	ZINC000491339262	332193135	/nfs/dbraw/zinc/19/31/35/332193135.db2.gz	OTFMKNFZMWAFEF-NSHDSACASA-N	-1	0	260.297	0.381	20	30		CCEDRM
C#CCN(CC#CC)S(=O)(=O)CCCCCC(=O)[O-]	ZINC000491641684	332261056	/nfs/dbraw/zinc/26/10/56/332261056.db2.gz	SEEZIOPHIUCVEN-UHFFFAOYSA-N	-1	0	285.365	0.920	20	30		CCEDRM
N#CCOc1ccc(C=CC(=O)Nc2nn[nH]n2)cc1	ZINC000491881125	332373345	/nfs/dbraw/zinc/37/33/45/332373345.db2.gz	GHUWSRXHMHPACT-UTCJRWHESA-N	-1	0	270.252	0.754	20	30		CCEDRM
C=CCS(=O)(=O)[N-]C(=O)/C=C\C1CCOCC1	ZINC000492340574	332393368	/nfs/dbraw/zinc/39/33/68/332393368.db2.gz	GMPPQMGYFIBKFW-ARJAWSKDSA-N	-1	0	259.327	0.601	20	30		CCEDRM
COC[C@](C)(C#N)NC(=O)/C=C/c1cncc(O)c1	ZINC000492470066	332399003	/nfs/dbraw/zinc/39/90/03/332399003.db2.gz	DRDCRYIGWCHDCQ-OOPCZODUSA-N	-1	0	261.281	0.845	20	30		CCEDRM
C#CCCS(=O)(=O)[N-]C(=O)/C=C/c1ncccc1C	ZINC000493790029	332454189	/nfs/dbraw/zinc/45/41/89/332454189.db2.gz	OHOAEGAJGZXNOM-BQYQJAHWSA-N	-1	0	278.333	0.873	20	30		CCEDRM
C=CCO[N-]C(=O)COC1CN(C(=O)OC(C)(C)C)C1	ZINC000496469977	332550486	/nfs/dbraw/zinc/55/04/86/332550486.db2.gz	NOFNZURDASQLOG-UHFFFAOYSA-N	-1	0	286.328	0.856	20	30		CCEDRM
CC(C)N(CCC(=O)[O-])S(=O)(=O)N(C)C[C@H](C)C#N	ZINC000566312349	334642427	/nfs/dbraw/zinc/64/24/27/334642427.db2.gz	MOAAPVIELZAIDX-SNVBAGLBSA-N	-1	0	291.373	0.508	20	30		CCEDRM
CC#CC[C@@H](NS(=O)(=O)N(C)[C@@H](C)C1CC1)C(=O)[O-]	ZINC000540999704	333757765	/nfs/dbraw/zinc/75/77/65/333757765.db2.gz	DPRQJFWLNMYLDK-GXSJLCMTSA-N	-1	0	288.369	0.418	20	30		CCEDRM
CC#CC[C@H](NS(=O)(=O)N(CCC)CCC)C(=O)[O-]	ZINC000542860559	333845871	/nfs/dbraw/zinc/84/58/71/333845871.db2.gz	YLCPJDQYPRHFNL-NSHDSACASA-N	-1	0	290.385	0.809	20	30		CCEDRM
CC#CC[C@@H](NS(=O)(=O)N1CC[C@H](C)C1)C(=O)[O-]	ZINC000542857876	333845977	/nfs/dbraw/zinc/84/59/77/333845977.db2.gz	BHLIGIZBZHCPGJ-VHSXEESVSA-N	-1	0	274.342	0.029	20	30		CCEDRM
CC#CC[C@H](NS(=O)(=O)c1ccccc1OC)C(=O)[O-]	ZINC000543788184	333898916	/nfs/dbraw/zinc/89/89/16/333898916.db2.gz	UCFATOXVTQMXRG-JTQLQIEISA-N	-1	0	297.332	0.840	20	30		CCEDRM
C[C@H](CCCC(=O)[O-])NS(=O)(=O)N(C)CCC#N	ZINC000547889068	334128950	/nfs/dbraw/zinc/12/89/50/334128950.db2.gz	PJAIKSHZUVLECO-SECBINFHSA-N	-1	0	277.346	0.310	20	30		CCEDRM
C=CCCS(=O)(=O)N[C@H](CC(=O)[O-])C1CCOCC1	ZINC000547936966	334129998	/nfs/dbraw/zinc/12/99/98/334129998.db2.gz	WLXVWYUAOKKHQR-LLVKDONJSA-N	-1	0	291.369	0.752	20	30		CCEDRM
CC[C@@H](NS(=O)(=O)CC1(C#N)CCCC1)C(=O)[O-]	ZINC000548530463	334162244	/nfs/dbraw/zinc/16/22/44/334162244.db2.gz	MOCQYJPEBZIHRW-SECBINFHSA-N	-1	0	274.342	0.853	20	30		CCEDRM
C[C@@H](CCC(=O)[O-])CNS(=O)(=O)CC1(C#N)CC1	ZINC000548554603	334162510	/nfs/dbraw/zinc/16/25/10/334162510.db2.gz	AOEGWZZSVULLPN-VIFPVBQESA-N	-1	0	274.342	0.710	20	30		CCEDRM
N#CC1(CS(=O)(=O)N[C@H](Cc2ccco2)C(=O)[O-])CC1	ZINC000548556581	334162512	/nfs/dbraw/zinc/16/25/12/334162512.db2.gz	XZHOTXKJZXIBOT-SNVBAGLBSA-N	-1	0	298.320	0.498	20	30		CCEDRM
C[C@H]1CCN(S(=O)(=O)CC2(C#N)CC2)[C@H](C(=O)[O-])C1	ZINC000548577070	334162900	/nfs/dbraw/zinc/16/29/00/334162900.db2.gz	UJSGYZJKAIUGMS-UWVGGRQHSA-N	-1	0	286.353	0.805	20	30		CCEDRM
COc1n[n-]c(=NC(=O)NCC2(C#N)CC2)s1	ZINC000549006379	334182348	/nfs/dbraw/zinc/18/23/48/334182348.db2.gz	PAUIMIVLKXELGG-UHFFFAOYSA-N	-1	0	253.287	0.394	20	30		CCEDRM
CC[C@@H](NC(=O)C(=O)Nc1cccc(CC#N)c1)C(=O)[O-]	ZINC000564969816	334531328	/nfs/dbraw/zinc/53/13/28/334531328.db2.gz	CJTTUYFVDUSSOJ-LLVKDONJSA-N	-1	0	289.291	0.671	20	30		CCEDRM
C=CCOC[C@@H](NC(=O)NCc1c[nH]nc1C)C(=O)[O-]	ZINC000564980985	334531780	/nfs/dbraw/zinc/53/17/80/334531780.db2.gz	CGUPFZIGOMBZDK-SNVBAGLBSA-N	-1	0	282.300	0.173	20	30		CCEDRM
C=C(C)CS(=O)(=O)N[C@H](C[C@H]1CCOC1)C(=O)[O-]	ZINC000565058082	334536881	/nfs/dbraw/zinc/53/68/81/334536881.db2.gz	RWTSVJLBZJMLAU-NXEZZACHSA-N	-1	0	277.342	0.362	20	30		CCEDRM
C=CCNC(=O)c1c(C)[n-]n(-c2nc(C)cc(C)n2)c1=O	ZINC000155607642	334725206	/nfs/dbraw/zinc/72/52/06/334725206.db2.gz	OYCIVUZVSYWHLW-NSHDSACASA-N	-1	0	287.323	0.734	20	30		CCEDRM
CC#CCN(C)C(=O)C(=O)N1CC[C@H](C)[C@H](C(=O)[O-])C1	ZINC000577610387	335377691	/nfs/dbraw/zinc/37/76/91/335377691.db2.gz	GQLWTOBQZKNPHC-WDEREUQCSA-N	-1	0	280.324	0.037	20	30		CCEDRM
C=C[C@@H]1OCCC[C@H]1NC(=O)N=c1[n-]nc(OC)s1	ZINC000578449764	335636281	/nfs/dbraw/zinc/63/62/81/335636281.db2.gz	VYHDPEAWZYNTRU-SFYZADRCSA-N	-1	0	284.341	0.824	20	30		CCEDRM
C=C[C@@H](CCC(=O)[O-])NS(=O)(=O)N(C)[C@H](C)C1CC1	ZINC000579081376	335707027	/nfs/dbraw/zinc/70/70/27/335707027.db2.gz	NMLNUCSVSODVTH-KOLCDFICSA-N	-1	0	290.385	0.971	20	30		CCEDRM
C=CCC[C@@H](NS(=O)(=O)c1c(C)onc1N)C(=O)[O-]	ZINC000581606076	336110987	/nfs/dbraw/zinc/11/09/87/336110987.db2.gz	PZZDZFHEUZQTTK-SSDOTTSWSA-N	-1	0	289.313	0.093	20	30		CCEDRM
N#Cc1cc(S(=O)(=O)N2CC[C@H]2C(=O)[O-])ccc1F	ZINC000384617446	336127791	/nfs/dbraw/zinc/12/77/91/336127791.db2.gz	RBHJLOHDZOLOAP-JTQLQIEISA-N	-1	0	284.268	0.545	20	30		CCEDRM
CC(C)CCC(=O)NCC(=O)Nc1nc(C#N)c(C#N)[n-]1	ZINC000067150945	519635675	/nfs/dbraw/zinc/63/56/75/519635675.db2.gz	YMLMMWILUWEVQX-UHFFFAOYSA-N	-1	0	288.311	0.644	20	30		CCEDRM
C[C@@H](CC#N)N(C)S(=O)(=O)c1n[nH]cc1C(=O)[O-]	ZINC000063088097	524338389	/nfs/dbraw/zinc/33/83/89/524338389.db2.gz	JCYNVTIHWHKKLI-LURJTMIESA-N	-1	0	272.286	0.031	20	30		CCEDRM
C=CCOc1cccnc1C(=O)NCc1n[n-]c(=N)o1	ZINC000354855140	526964828	/nfs/dbraw/zinc/96/48/28/526964828.db2.gz	UPTUVEHDOJIEOX-UHFFFAOYSA-N	-1	0	275.268	0.372	20	30		CCEDRM
C=CCOC[C@H](NC(=O)[C@@H]1CO[C@@H](C)C1)C(=O)[O-]	ZINC000668290689	545171409	/nfs/dbraw/zinc/17/14/09/545171409.db2.gz	VTSLPQXJPINJMC-GUBZILKMSA-N	-1	0	257.286	0.183	20	30		CCEDRM
CCOC(=O)[C@@H](CC)C(=O)N=c1[nH][n-]c(C)c1C#N	ZINC000412291697	527755169	/nfs/dbraw/zinc/75/51/69/527755169.db2.gz	ZDTZOLIEMNERPI-QMMMGPOBSA-N	-1	0	264.285	0.540	20	30		CCEDRM
CCC(=O)N1CSC[C@@H]1C(=O)NCc1n[nH]c(=O)[n-]1	ZINC000330054029	528381527	/nfs/dbraw/zinc/38/15/27/528381527.db2.gz	RIIAHNXALPGQTC-ZCFIWIBFSA-N	-1	0	285.329	0.278	20	30		CCEDRM
C=CCOc1cccc(NC(=O)N[C@H](CO)C(=O)[O-])c1	ZINC000684746872	545732354	/nfs/dbraw/zinc/73/23/54/545732354.db2.gz	JFJYKKBCYNFALO-LLVKDONJSA-N	-1	0	280.280	0.818	20	30		CCEDRM
CCN(C[C@@H](C)C#N)C(=O)[C@@H]1COCCN1C(=O)[O-]	ZINC000739402924	581131111	/nfs/dbraw/zinc/13/11/11/581131111.db2.gz	IITLRUFMLBIUAW-UWVGGRQHSA-N	-1	0	269.301	0.373	20	30		CCEDRM
COc1cc(C(=O)NO)cc([N-]S(C)(=O)=O)c1OC	ZINC000782171862	581140640	/nfs/dbraw/zinc/14/06/40/581140640.db2.gz	PBNDZIWQLOLBTO-UHFFFAOYSA-N	-1	0	290.297	0.194	20	30		CCEDRM
C#Cc1cccc([N-]S(=O)(=O)c2cnnn2C)c1	ZINC000790005769	581170405	/nfs/dbraw/zinc/17/04/05/581170405.db2.gz	VMNRLWLIXCZRQL-UHFFFAOYSA-N	-1	0	262.294	0.597	20	30		CCEDRM
CC(C)[C@H]([N-]C(=O)C(F)(F)F)C(=O)NCCC#N	ZINC000790066596	581174817	/nfs/dbraw/zinc/17/48/17/581174817.db2.gz	FIXAFFAJYKFWMS-ZETCQYMHSA-N	-1	0	265.235	0.719	20	30		CCEDRM
C=CCS(=O)(=O)[N-]C(=O)c1cnc(C)nc1C	ZINC000777332758	581112697	/nfs/dbraw/zinc/11/26/97/581112697.db2.gz	BUSXYDVLHCINCY-UHFFFAOYSA-N	-1	0	255.299	0.339	20	30		CCEDRM
C#Cc1cccc(NC(=O)C(=O)[N-]OCCOC)c1	ZINC000789826392	581158387	/nfs/dbraw/zinc/15/83/87/581158387.db2.gz	WVKBBXPVALYNNL-UHFFFAOYSA-N	-1	0	262.265	0.301	20	30		CCEDRM
CCS(=O)(=O)[N-]C(=O)c1cccc(F)c1C#N	ZINC000778632692	581161429	/nfs/dbraw/zinc/16/14/29/581161429.db2.gz	KCYRNQYGRSMBQB-UHFFFAOYSA-N	-1	0	256.258	0.777	20	30		CCEDRM
N#CCN(CC(=O)[O-])C(=O)CCNC(=O)c1ccsc1	ZINC000739078121	581172303	/nfs/dbraw/zinc/17/23/03/581172303.db2.gz	XZDUCGKEQRDHBS-UHFFFAOYSA-N	-1	0	295.320	0.305	20	30		CCEDRM
C[C@@H]1CN(C(=O)[O-])CCN1CC(=O)N[C@@](C)(C#N)C1CC1	ZINC000739162429	581186251	/nfs/dbraw/zinc/18/62/51/581186251.db2.gz	UYGRYQWBZQVMRP-YGRLFVJLSA-N	-1	0	294.355	0.479	20	30		CCEDRM
C[C@H]1CN=C(NN=Cc2cc([O-])ccc2[N+](=O)[O-])N1	ZINC000779803325	581207437	/nfs/dbraw/zinc/20/74/37/581207437.db2.gz	OVNKVRCNYBFJFD-ZETCQYMHSA-N	-1	0	263.257	0.572	20	30		CCEDRM
C[C@H](CNC(=O)[O-])N(C)S(=O)(=O)c1ccc(C#N)nc1	ZINC000738943041	581211622	/nfs/dbraw/zinc/21/16/22/581211622.db2.gz	QGYILTSPDKQFFO-MRVPVSSYSA-N	-1	0	298.324	0.230	20	30		CCEDRM
O=C([O-])[C@H]1COCCN1C(=O)NCC#Cc1ccccc1	ZINC000780364960	581225980	/nfs/dbraw/zinc/22/59/80/581225980.db2.gz	JCZHWYMMWYOILI-CYBMUJFWSA-N	-1	0	288.303	0.533	20	30		CCEDRM
CC(C)(C#N)CS(=O)(=O)[N-]C(=O)[C@@H]1[C@H]2CCCO[C@H]21	ZINC000780474919	581230006	/nfs/dbraw/zinc/23/00/06/581230006.db2.gz	AKOSVJWOPPWBFC-OPRDCNLKSA-N	-1	0	286.353	0.407	20	30		CCEDRM
COC1(CC(=O)[N-]S(=O)(=O)CCCC#N)CCC1	ZINC000791865030	581237675	/nfs/dbraw/zinc/23/76/75/581237675.db2.gz	AGAOLSTXZCBUSD-UHFFFAOYSA-N	-1	0	274.342	0.695	20	30		CCEDRM
Cn1ccnc(NN=Cc2cc([N+](=O)[O-])ccc2[O-])c1=O	ZINC000748080377	581265363	/nfs/dbraw/zinc/26/53/63/581265363.db2.gz	MZKFCGSDWQGIBY-UHFFFAOYSA-N	-1	0	289.251	0.840	20	30		CCEDRM
CC[C@@H](NN=C1C(=O)Nc2ccc(OC)cc21)C(=O)[O-]	ZINC000793057544	581282854	/nfs/dbraw/zinc/28/28/54/581282854.db2.gz	NUSOHQMXAWECDX-SECBINFHSA-N	-1	0	277.280	0.804	20	30		CCEDRM
CC[C@H](NN=Cc1ccc(O)c(O)c1O)C(=O)[O-]	ZINC000793071754	581283163	/nfs/dbraw/zinc/28/31/63/581283163.db2.gz	GRZRWIODPVXFAF-ZETCQYMHSA-N	-1	0	254.242	0.590	20	30		CCEDRM
CC[C@H](NN=Cc1ccc(C(=O)OC)[nH]1)C(=O)[O-]	ZINC000793072712	581283266	/nfs/dbraw/zinc/28/32/66/581283266.db2.gz	OQNUALVXAJXHLV-QMMMGPOBSA-N	-1	0	253.258	0.588	20	30		CCEDRM
CC[C@H](NN=Cc1cnc([C@@H](C)O)s1)C(=O)[O-]	ZINC000793079800	581283597	/nfs/dbraw/zinc/28/35/97/581283597.db2.gz	UBHFOKCLOZPLBG-SVRRBLITSA-N	-1	0	257.315	0.983	20	30		CCEDRM
C=CCS(=O)(=O)[N-]C(=O)c1ccc(-c2nc[nH]n2)cc1	ZINC000793176520	581286647	/nfs/dbraw/zinc/28/66/47/581286647.db2.gz	CTEMZLUICFVIHD-UHFFFAOYSA-N	-1	0	292.320	0.717	20	30		CCEDRM
CN(Cc1ccccc1)C(=O)C(C#N)=C([O-])c1cnn(C)n1	ZINC000793278541	581291899	/nfs/dbraw/zinc/29/18/99/581291899.db2.gz	CLKMPLHXWHYUCB-GFCCVEGCSA-N	-1	0	297.318	0.796	20	30		CCEDRM
CC1(C(=O)[N-]S(=O)(=O)c2ccc(C#N)cc2)COC1	ZINC000782573204	581308260	/nfs/dbraw/zinc/30/82/60/581308260.db2.gz	KBCPDMHKSPKMFH-UHFFFAOYSA-N	-1	0	280.305	0.400	20	30		CCEDRM
N#CC1(C(=O)NCCCN(C(=O)[O-])C2CC2)CCOCC1	ZINC000740309511	581323402	/nfs/dbraw/zinc/32/34/02/581323402.db2.gz	KNGUZZMZELAENY-UHFFFAOYSA-N	-1	0	295.339	0.955	20	30		CCEDRM
N#CC1(NC(=O)CN(C[C@H]2CCCO2)C(=O)[O-])CCC1	ZINC000740309174	581323518	/nfs/dbraw/zinc/32/35/18/581323518.db2.gz	FSAZPLOFNBOPCW-SNVBAGLBSA-N	-1	0	281.312	0.708	20	30		CCEDRM
C#CCCNC(=O)C1=NN(c2ccccc2)[C@@H](C(=O)[O-])C1	ZINC000738457215	581331103	/nfs/dbraw/zinc/33/11/03/581331103.db2.gz	KKDLEOROLFPWOI-CYBMUJFWSA-N	-1	0	285.303	0.845	20	30		CCEDRM
C#CCN1CCC[C@H]1C(=O)N[C@@H](CNC(=O)[O-])C1CC1	ZINC000738461598	581333795	/nfs/dbraw/zinc/33/37/95/581333795.db2.gz	UUWKGQULWNWQTJ-RYUDHWBXSA-N	-1	0	279.340	0.246	20	30		CCEDRM
C=C[C@](C)(CCOC)C(=O)[N-]S(=O)(=O)N(C)CC	ZINC000783097587	581335713	/nfs/dbraw/zinc/33/57/13/581335713.db2.gz	KBFKGJDCRHCJLE-LLVKDONJSA-N	-1	0	278.374	0.528	20	30		CCEDRM
C=CCCO[C@@H](C)C(=O)N1CC[C@H](NC(=O)[O-])C1	ZINC000738493458	581361546	/nfs/dbraw/zinc/36/15/46/581361546.db2.gz	NZKKYDOACZSXDM-UWVGGRQHSA-N	-1	0	256.302	0.836	20	30		CCEDRM
COC(=O)c1occc1C=Nn1c(=O)c(C)n[n-]c1=S	ZINC000794748087	581386913	/nfs/dbraw/zinc/38/69/13/581386913.db2.gz	JKJQJNQRCFQBKF-UHFFFAOYSA-N	-1	0	294.292	0.497	20	30		CCEDRM
C[C@@H](Oc1ccc(C=NN2CC(=O)NC2=O)cc1)C(=O)[O-]	ZINC000794887343	581390069	/nfs/dbraw/zinc/39/00/69/581390069.db2.gz	UMWXKNVUQRMXIS-MRVPVSSYSA-N	-1	0	291.263	0.424	20	30		CCEDRM
C[C@H]1COC(=O)C1=NN=c1ccc(-n2cccn2)n[n-]1	ZINC000794894028	581390432	/nfs/dbraw/zinc/39/04/32/581390432.db2.gz	AUDIEFCOXIWMQU-QMMMGPOBSA-N	-1	0	272.268	0.623	20	30		CCEDRM
Cc1csc(C(C#N)=C([O-])COC(=O)C2COC2)n1	ZINC000785774642	581419495	/nfs/dbraw/zinc/41/94/95/581419495.db2.gz	FUVZZFWLTOPOJQ-SECBINFHSA-N	-1	0	280.305	0.817	20	30		CCEDRM
COC[C@H](C)S(=O)(=O)[N-]C(=O)CC(C)(C)C#N	ZINC000786418645	581440237	/nfs/dbraw/zinc/44/02/37/581440237.db2.gz	UWGLTIHHKTUZAT-QMMMGPOBSA-N	-1	0	262.331	0.407	20	30		CCEDRM
CC(C)N(C)S(=O)(=O)[N-]C(=O)c1ccnc(C#N)c1	ZINC000796693014	581448208	/nfs/dbraw/zinc/44/82/08/581448208.db2.gz	YNXPHFKUDIDAJW-UHFFFAOYSA-N	-1	0	282.325	0.268	20	30		CCEDRM
COCCNC(=O)C(C#N)=C([O-])c1ccc(C#N)o1	ZINC000796750019	581449856	/nfs/dbraw/zinc/44/98/56/581449856.db2.gz	YWVKMWMLOWAYIN-VIFPVBQESA-N	-1	0	261.237	0.236	20	30		CCEDRM
COCCNC(=O)C(C#N)=C([O-])c1nc(C2CC2)oc1C	ZINC000796791621	581450925	/nfs/dbraw/zinc/45/09/25/581450925.db2.gz	YGYKFBHBKHJIOL-JTQLQIEISA-N	-1	0	291.307	0.946	20	30		CCEDRM
CC[C@](C)(OC)C(=O)[N-]S(=O)(=O)CC1(C#N)CCC1	ZINC000796852738	581452244	/nfs/dbraw/zinc/45/22/44/581452244.db2.gz	YDOJJDCBDPIYEN-NSHDSACASA-N	-1	0	288.369	0.941	20	30		CCEDRM
C#CCOCCC(=O)[N-]S(=O)(=O)CCC(F)(F)F	ZINC000797265826	581463114	/nfs/dbraw/zinc/46/31/14/581463114.db2.gz	WSOLDNVAKFUYIA-UHFFFAOYSA-N	-1	0	287.259	0.425	20	30		CCEDRM
N#Cc1cccc(NC(=O)COC(=O)[C@H]2C[C@@H]2C(=O)[O-])c1	ZINC000739133603	581509726	/nfs/dbraw/zinc/50/97/26/581509726.db2.gz	KOKOJGANVAZQAM-QWRGUYRKSA-N	-1	0	288.259	0.761	20	30		CCEDRM
N#Cc1cccc(NC(=O)C(=O)NCCCC(=O)[O-])c1	ZINC000739133395	581509897	/nfs/dbraw/zinc/50/98/97/581509897.db2.gz	GOIBWRFUJBWGAI-UHFFFAOYSA-N	-1	0	275.264	0.478	20	30		CCEDRM
N#Cc1cccc(NC(=O)Cn2nc(C(=O)[O-])ccc2=O)c1	ZINC000739133109	581510051	/nfs/dbraw/zinc/51/00/51/581510051.db2.gz	AWANFYDFLIBHPK-UHFFFAOYSA-N	-1	0	298.258	0.452	20	30		CCEDRM
N#Cc1cccnc1NCCOC(=O)CCCNC(=O)[O-]	ZINC000739142302	581510978	/nfs/dbraw/zinc/51/09/78/581510978.db2.gz	KAUANIULDYLERG-UHFFFAOYSA-N	-1	0	292.295	0.956	20	30		CCEDRM
N#Cc1cccnc1NCCNC(=O)CCNC(=O)[O-]	ZINC000739143152	581511010	/nfs/dbraw/zinc/51/10/10/581511010.db2.gz	XKCBSDYHCBCIQY-UHFFFAOYSA-N	-1	0	277.284	0.139	20	30		CCEDRM
N#Cc1cnccc1NC(=O)CCSCC(=O)[O-]	ZINC000739145405	581511574	/nfs/dbraw/zinc/51/15/74/581511574.db2.gz	LMWHGIHEYHBZDZ-UHFFFAOYSA-N	-1	0	265.294	0.522	20	30		CCEDRM
C[C@@H]1CN(S(=O)(=O)CCCC#N)C[C@H](C)N1C(=O)[O-]	ZINC000739186731	581519751	/nfs/dbraw/zinc/51/97/51/581519751.db2.gz	BVCAUITVMIHYNQ-AOOOYVTPSA-N	-1	0	289.357	0.693	20	30		CCEDRM
N#Cc1ccc(C(=O)[N-]S(=O)(=O)[C@@H]2CCOC2)cc1	ZINC000733725071	581521802	/nfs/dbraw/zinc/52/18/02/581521802.db2.gz	ZPDYKTNRHUFHTM-LLVKDONJSA-N	-1	0	280.305	0.407	20	30		CCEDRM
N#Cc1ccc(CC(=O)[N-]S(=O)(=O)[C@@H]2CCOC2)cc1	ZINC000733723625	581521898	/nfs/dbraw/zinc/52/18/98/581521898.db2.gz	YYYADBFHTGIGFO-GFCCVEGCSA-N	-1	0	294.332	0.336	20	30		CCEDRM
C#CCCCCC(=O)[N-]S(=O)(=O)c1ccnn1C	ZINC000765655779	581531919	/nfs/dbraw/zinc/53/19/19/581531919.db2.gz	GSYFLSMYPNCPIN-UHFFFAOYSA-N	-1	0	269.326	0.419	20	30		CCEDRM
CCN(CCC#N)C(=O)COC(=O)[C@@H]1CCCN1C(=O)[O-]	ZINC000739416293	581549233	/nfs/dbraw/zinc/54/92/33/581549233.db2.gz	ZHKNBIWZGKWADM-JTQLQIEISA-N	-1	0	297.311	0.434	20	30		CCEDRM
CCN(CCNC(=O)C1(C#N)CCOCC1)C(=O)[O-]	ZINC000739424785	581550755	/nfs/dbraw/zinc/55/07/55/581550755.db2.gz	UBMWKORFQYEEGG-UHFFFAOYSA-N	-1	0	269.301	0.423	20	30		CCEDRM
C[C@@H](C#N)CN(C)C(=O)CN(C[C@@H]1CCCO1)C(=O)[O-]	ZINC000738595904	581575797	/nfs/dbraw/zinc/57/57/97/581575797.db2.gz	BZOSSWHJQNKNFM-QWRGUYRKSA-N	-1	0	283.328	0.763	20	30		CCEDRM
CN(C)C(=S)NN=C1CCC[C@@H]1CNC(=O)[O-]	ZINC000739601453	581578492	/nfs/dbraw/zinc/57/84/92/581578492.db2.gz	FAZYKKSLWGKNRG-SSDOTTSWSA-N	-1	0	258.347	0.846	20	30		CCEDRM
CN(CC(=O)[C@@H](C#N)C(=O)NC1CCCCC1)C(=O)[O-]	ZINC000739616090	581581218	/nfs/dbraw/zinc/58/12/18/581581218.db2.gz	AJYOTZWZDHDLRG-SNVBAGLBSA-N	-1	0	281.312	0.754	20	30		CCEDRM
COCCNC(=O)C(C#N)=C([O-])c1ccc(C#N)nc1	ZINC000734705973	581582615	/nfs/dbraw/zinc/58/26/15/581582615.db2.gz	YSQFGXUEPYSBIC-NSHDSACASA-N	-1	0	272.264	0.038	20	30		CCEDRM
CN(C[C@H]1CCN(C(=O)C(C)(C)C#N)C1)C(=O)[O-]	ZINC000739641992	581586491	/nfs/dbraw/zinc/58/64/91/581586491.db2.gz	SBTJBPAXOKUSRP-SECBINFHSA-N	-1	0	253.302	0.994	20	30		CCEDRM
CN(C[C@@H]1CCN(S(=O)(=O)CCCC#N)C1)C(=O)[O-]	ZINC000739665321	581588983	/nfs/dbraw/zinc/58/89/83/581588983.db2.gz	RNMOFLUQLPZIHC-JTQLQIEISA-N	-1	0	289.357	0.552	20	30		CCEDRM
CC(C)(C)[C@@H](C#N)NC(=O)Cn1[n-]cc2c(=O)ncnc1-2	ZINC000754393298	581589645	/nfs/dbraw/zinc/58/96/45/581589645.db2.gz	YYHLIURTBQZJJI-SECBINFHSA-N	-1	0	288.311	0.126	20	30		CCEDRM
CN(CCCNC(=O)N1CCC(C#N)CC1)C(=O)[O-]	ZINC000739670569	581590584	/nfs/dbraw/zinc/59/05/84/581590584.db2.gz	SBDSEXLWRNYPNO-UHFFFAOYSA-N	-1	0	268.317	0.931	20	30		CCEDRM
CC(C)(C#N)CC(=O)[N-]S(=O)(=O)C[C@@H]1CCOC1	ZINC000786475060	581601146	/nfs/dbraw/zinc/60/11/46/581601146.db2.gz	VMPFEUVEQXIZCU-SECBINFHSA-N	-1	0	274.342	0.409	20	30		CCEDRM
CON=Cc1ccc(C(=O)N[C@@H](C)C(=O)[O-])cc1	ZINC000739848005	581629973	/nfs/dbraw/zinc/62/99/73/581629973.db2.gz	BZYAUBIIMAEXCJ-QMMMGPOBSA-N	-1	0	250.254	0.870	20	30		CCEDRM
Cc1ncoc1C(=O)[N-]S(=O)(=O)c1ccc(C#N)cc1	ZINC000755582433	581646757	/nfs/dbraw/zinc/64/67/57/581646757.db2.gz	NGTHYAMKBQXTHR-UHFFFAOYSA-N	-1	0	291.288	0.973	20	30		CCEDRM
N#C[C@H]1CN(C(=O)NC[C@H]2CCCN(C(=O)[O-])C2)CCO1	ZINC000740306469	581662914	/nfs/dbraw/zinc/66/29/14/581662914.db2.gz	HCOLQBMJBJAJQP-MNOVXSKESA-N	-1	0	296.327	0.310	20	30		CCEDRM
N#Cc1ccc(CNC(=O)[C@@H]2C[C@@H](O)CN2C(=O)[O-])cc1	ZINC000740312979	581664697	/nfs/dbraw/zinc/66/46/97/581664697.db2.gz	MKMSPXDQQXXUEN-NEPJUHHUSA-N	-1	0	289.291	0.288	20	30		CCEDRM
N#Cc1ccc(C(=O)N2CC[C@H](CNC(=O)[O-])C2)nc1	ZINC000740313604	581664717	/nfs/dbraw/zinc/66/47/17/581664717.db2.gz	OQCKQGBLHHODSP-SNVBAGLBSA-N	-1	0	274.280	0.683	20	30		CCEDRM
N#Cc1cccc(NC(=O)[C@H]2COCCN2C(=O)[O-])c1	ZINC000740323688	581666009	/nfs/dbraw/zinc/66/60/09/581666009.db2.gz	SQTBILSKNCABRH-LLVKDONJSA-N	-1	0	275.264	0.876	20	30		CCEDRM
C=CCNC(=O)C(C#N)=C([O-])c1cc(OC)ccn1	ZINC000735910735	581670816	/nfs/dbraw/zinc/67/08/16/581670816.db2.gz	FEJPKRFXDLRZLR-SNVBAGLBSA-N	-1	0	259.265	0.715	20	30		CCEDRM
CCOCCOCC(=O)C(C#N)=C([O-])c1nccn1C	ZINC000770870788	581680359	/nfs/dbraw/zinc/68/03/59/581680359.db2.gz	FGHQHJYLBCKIKS-SNVBAGLBSA-N	-1	0	279.296	0.365	20	30		CCEDRM
C#CCCNC(=O)Nc1nc(CC(=O)[O-])cs1	ZINC000736077125	581694684	/nfs/dbraw/zinc/69/46/84/581694684.db2.gz	MVGJGELVWRAMFV-UHFFFAOYSA-N	-1	0	253.283	0.915	20	30		CCEDRM
C=C(C)CN(CC)C(=O)CS(=O)(=O)C[C@@H](C)C(=O)[O-]	ZINC000736095147	581701673	/nfs/dbraw/zinc/70/16/73/581701673.db2.gz	KYWKNPOGHOVXDR-SNVBAGLBSA-N	-1	0	291.369	0.547	20	30		CCEDRM
CC(=O)c1cc(C(=O)N(CC#N)CC(=O)[O-])n(C)c1	ZINC000736185370	581712118	/nfs/dbraw/zinc/71/21/18/581712118.db2.gz	BTUVYHBMCFMGSG-UHFFFAOYSA-N	-1	0	263.253	0.278	20	30		CCEDRM
C=CCS(=O)(=O)[N-]C(=O)Cc1c(OC)cccc1OC	ZINC000763020266	581742778	/nfs/dbraw/zinc/74/27/78/581742778.db2.gz	NZJYKAJHCBHOIV-UHFFFAOYSA-N	-1	0	299.348	0.878	20	30		CCEDRM
CC(C)[C@H](NC(=O)[O-])C(=O)N1CCN(C2CC2)[C@@H](C#N)C1	ZINC000736361332	581749660	/nfs/dbraw/zinc/74/96/60/581749660.db2.gz	CFZFJDCBWCUQKO-RYUDHWBXSA-N	-1	0	294.355	0.477	20	30		CCEDRM
COc1cc(C=NN2CN=NC2=O)ccc1OCC(=O)[O-]	ZINC000770615043	581756187	/nfs/dbraw/zinc/75/61/87/581756187.db2.gz	KTUMMTFFGCWEON-UHFFFAOYSA-N	-1	0	292.251	0.338	20	30		CCEDRM
CC(C)C[C@H](NC(=O)[O-])C(=O)N1CCO[C@@H](C#N)C1	ZINC000736418622	581763404	/nfs/dbraw/zinc/76/34/04/581763404.db2.gz	BWGZKSWIYMSUGI-UWVGGRQHSA-N	-1	0	269.301	0.420	20	30		CCEDRM
C[C@@H](CNC(=O)C(=O)Nc1ccc(C#N)cc1)C(=O)[O-]	ZINC000736587320	581799548	/nfs/dbraw/zinc/79/95/48/581799548.db2.gz	VPRSVXLXIXGBAB-QMMMGPOBSA-N	-1	0	275.264	0.334	20	30		CCEDRM
N#CCc1cccc(C(=O)N2CCO[C@H](c3nnn[n-]3)C2)c1	ZINC000732090713	581802412	/nfs/dbraw/zinc/80/24/12/581802412.db2.gz	MJKZKXLBKULUGM-LBPRGKRZSA-N	-1	0	298.306	0.479	20	30		CCEDRM
COc1cc(C(=O)[O-])ccc1OC[C@H](O)CN(C)CC#N	ZINC000737869043	581804815	/nfs/dbraw/zinc/80/48/15/581804815.db2.gz	WXNZFIPTDKZLKC-LLVKDONJSA-N	-1	0	294.307	0.588	20	30		CCEDRM
C=CCCC(=O)[N-]S(=O)(=O)[C@@H](C)[C@H](C)C(=O)OC	ZINC000771516793	581806462	/nfs/dbraw/zinc/80/64/62/581806462.db2.gz	FRMRRRMOMOKDPF-IUCAKERBSA-N	-1	0	277.342	0.596	20	30		CCEDRM
C=CCN(Cc1cccc(C#N)c1)C(=O)c1cc(=O)[nH][n-]1	ZINC000732278407	581811536	/nfs/dbraw/zinc/81/15/36/581811536.db2.gz	LUXSQUKKAUEDIV-UHFFFAOYSA-N	-1	0	282.303	0.949	20	30		CCEDRM
CN1CC(=O)N(CC(=O)Nc2cc(C#N)ccc2[O-])C1=O	ZINC000759713089	581816965	/nfs/dbraw/zinc/81/69/65/581816965.db2.gz	HEFCJVBWOFKVPH-UHFFFAOYSA-N	-1	0	288.263	0.096	20	30		CCEDRM
N#Cc1ccc([O-])c(NC(=O)c2nccnc2C(N)=O)c1	ZINC000759714111	581817351	/nfs/dbraw/zinc/81/73/51/581817351.db2.gz	VSUNGSTURJBTKW-UHFFFAOYSA-N	-1	0	283.247	0.405	20	30		CCEDRM
C=CCOCCCC(=O)[N-]S(=O)(=O)[C@H](C)COC	ZINC000744136345	581832579	/nfs/dbraw/zinc/83/25/79/581832579.db2.gz	CLRGJXLADSTIMV-SNVBAGLBSA-N	-1	0	279.358	0.450	20	30		CCEDRM
Cc1cc(=O)[n-]c(N=NC(C)CS(C)(=O)=O)n1	ZINC000732527060	581833813	/nfs/dbraw/zinc/83/38/13/581833813.db2.gz	GIPOTXSTWCLSNT-UHFFFAOYSA-N	-1	0	258.303	0.323	20	30		CCEDRM
C=CCOCCCC(=O)[N-]S(=O)(=O)N(C)CC	ZINC000744241899	581836664	/nfs/dbraw/zinc/83/66/64/581836664.db2.gz	POTCJYFKQMLMIF-UHFFFAOYSA-N	-1	0	264.347	0.282	20	30		CCEDRM
CCS(=O)(=O)[N-]C(=O)[C@H](C)Oc1ccccc1C#N	ZINC000732607675	581837418	/nfs/dbraw/zinc/83/74/18/581837418.db2.gz	MZVACWNRADBFLP-VIFPVBQESA-N	-1	0	282.321	0.791	20	30		CCEDRM
N#Cc1ccc(SCC(=O)[N-]OCC(N)=O)cc1	ZINC000772939787	581901335	/nfs/dbraw/zinc/90/13/35/581901335.db2.gz	JCXRYQLZIIFDGA-UHFFFAOYSA-N	-1	0	265.294	0.183	20	30		CCEDRM
CSC[C@@H](C)C(=O)Nc1nc(C#N)c(-c2nn[nH]n2)[n-]1	ZINC000737179216	581919516	/nfs/dbraw/zinc/91/95/16/581919516.db2.gz	JJMBIVIQCYOJBH-RXMQYKEDSA-N	-1	0	292.328	0.399	20	30		CCEDRM
CN1CCC(=NN=c2[n-]c(-c3ccncc3)no2)C1=O	ZINC000761803150	581920730	/nfs/dbraw/zinc/92/07/30/581920730.db2.gz	CELMVHOXYWIYSZ-UHFFFAOYSA-N	-1	0	272.268	0.762	20	30		CCEDRM
CCc1[nH]c(C(=O)N2CCOC[C@@H]2C#N)c(C)c1C(=O)[O-]	ZINC000737239612	581925810	/nfs/dbraw/zinc/92/58/10/581925810.db2.gz	CLJGWXAXRJPMFX-VIFPVBQESA-N	-1	0	291.307	0.948	20	30		CCEDRM
CN(C)C(=O)CN[C@H](C(=O)[O-])c1ccc(C#N)cc1	ZINC000737349859	581947513	/nfs/dbraw/zinc/94/75/13/581947513.db2.gz	IFNBWOFCAIWIGV-LBPRGKRZSA-N	-1	0	261.281	0.362	20	30		CCEDRM
CN(CC#N)CC(=O)N1Cc2ccccc2C[C@H]1C(=O)[O-]	ZINC000737385866	581950731	/nfs/dbraw/zinc/95/07/31/581950731.db2.gz	GCOJOXCAWJTMMF-ZDUSSCGKSA-N	-1	0	287.319	0.480	20	30		CCEDRM
COc1cc(C([O-])=C(C#N)C(=O)NC2CCCC2)nn1C	ZINC000773983107	581951101	/nfs/dbraw/zinc/95/11/01/581951101.db2.gz	GXDUBVMBRKPMEJ-SNVBAGLBSA-N	-1	0	290.323	0.810	20	30		CCEDRM
COCCCNC(=O)C(C#N)=C([O-])c1nccs1	ZINC000774042007	581954629	/nfs/dbraw/zinc/95/46/29/581954629.db2.gz	CLFMWJVDXMOPAR-QMMMGPOBSA-N	-1	0	267.310	0.618	20	30		CCEDRM
COCCCNC(=O)C(C#N)=C([O-])c1ccc(C(C)=O)o1	ZINC000774042643	581954681	/nfs/dbraw/zinc/95/46/81/581954681.db2.gz	HIBPSLOBGQVJFE-JTQLQIEISA-N	-1	0	292.291	0.957	20	30		CCEDRM
COCCNC(=O)C(C#N)=C([O-])c1cc(C)sn1	ZINC000774044188	581954723	/nfs/dbraw/zinc/95/47/23/581954723.db2.gz	RBTRCRGBLWGOIP-QMMMGPOBSA-N	-1	0	267.310	0.537	20	30		CCEDRM
C[C@@H]1COCC[C@H]1C(=O)C(C#N)=C([O-])c1nccn1C	ZINC000774143700	581961701	/nfs/dbraw/zinc/96/17/01/581961701.db2.gz	VAMIUWFAWQPQOO-MXWKQRLJSA-N	-1	0	275.308	0.984	20	30		CCEDRM
N#Cc1ccc([O-])c(NC(=O)[C@@H]2CCC(=O)NC2)c1	ZINC000748411125	581974122	/nfs/dbraw/zinc/97/41/22/581974122.db2.gz	KBAQYMICMYNDJS-SECBINFHSA-N	-1	0	259.265	0.729	20	30		CCEDRM
COCCO[N-]C(=O)COc1ccc(C#N)cc1OC	ZINC000748776525	581986851	/nfs/dbraw/zinc/98/68/51/581986851.db2.gz	MQBSKUXDWFZAHE-UHFFFAOYSA-N	-1	0	280.280	0.640	20	30		CCEDRM
Cc1[nH]c(=O)ccc1C(=O)Nc1nc(C#N)c(C#N)[n-]1	ZINC000749201066	581999176	/nfs/dbraw/zinc/99/91/76/581999176.db2.gz	DOJVSQTVKQFVSO-UHFFFAOYSA-N	-1	0	268.236	0.814	20	30		CCEDRM
C=CCS(=O)(=O)[N-]C(=O)c1nccn2cc(C)nc12	ZINC000764043246	582028591	/nfs/dbraw/zinc/02/85/91/582028591.db2.gz	HNFSXTPEYOKPQC-UHFFFAOYSA-N	-1	0	280.309	0.283	20	30		CCEDRM
N#CC1(C(=O)N2CCC[C@H](NC(=O)[O-])C2)CCC1	ZINC000738421534	582047658	/nfs/dbraw/zinc/04/76/58/582047658.db2.gz	FMTAUNGQTTXDTI-VIFPVBQESA-N	-1	0	251.286	0.939	20	30		CCEDRM
N#CCOc1ccccc1C(=O)N1CCO[C@@H](C(=O)[O-])C1	ZINC000738425675	582048262	/nfs/dbraw/zinc/04/82/62/582048262.db2.gz	JVLRLGFSMAXDAL-GFCCVEGCSA-N	-1	0	290.275	0.515	20	30		CCEDRM
N#CCCCCS(=O)(=O)N1CCN(C(=O)[O-])CC1	ZINC000738427441	582048391	/nfs/dbraw/zinc/04/83/91/582048391.db2.gz	BWJKJXRDYJODNO-UHFFFAOYSA-N	-1	0	275.330	0.306	20	30		CCEDRM
N#CCCn1ccc(NC(=O)N2CCN(C(=O)[O-])CC2)n1	ZINC000738428036	582048422	/nfs/dbraw/zinc/04/84/22/582048422.db2.gz	IFYDPNPMTAFYNX-UHFFFAOYSA-N	-1	0	292.299	0.624	20	30		CCEDRM
N#Cc1ccc(C(=O)N2CCC[C@H](C(=O)[O-])C2)cn1	ZINC000738431092	582048952	/nfs/dbraw/zinc/04/89/52/582048952.db2.gz	SSMMYTOBQMRREY-JTQLQIEISA-N	-1	0	259.265	0.890	20	30		CCEDRM
N#Cc1cccc(OCC(=O)N2CCO[C@H](C(=O)[O-])C2)c1	ZINC000738433809	582049046	/nfs/dbraw/zinc/04/90/46/582049046.db2.gz	LCKDCPGJZHZJCB-LBPRGKRZSA-N	-1	0	290.275	0.249	20	30		CCEDRM
COCCNC(=O)C(C#N)=C([O-])c1ccn(C(F)F)n1	ZINC000776078292	582050517	/nfs/dbraw/zinc/05/05/17/582050517.db2.gz	XDZAGYBHOOFYNF-ZETCQYMHSA-N	-1	0	286.238	0.363	20	30		CCEDRM
C#CCNC(=O)[C@H](C)OC(=O)[C@](C)(CCC)NC(=O)[O-]	ZINC000738459806	582053247	/nfs/dbraw/zinc/05/32/47/582053247.db2.gz	DUHWBSBCJXXIBZ-ZANVPECISA-N	-1	0	284.312	0.494	20	30		CCEDRM
C#CCSCCNC(=O)[C@@H]1CSCN1C(=O)[O-]	ZINC000738471319	582053685	/nfs/dbraw/zinc/05/36/85/582053685.db2.gz	YOLVTFXUQPFBGG-QMMMGPOBSA-N	-1	0	274.367	0.522	20	30		CCEDRM
CC(C)(C#N)CS(=O)(=O)[N-]C(=O)CC1CCOCC1	ZINC000776142076	582054002	/nfs/dbraw/zinc/05/40/02/582054002.db2.gz	HQRDFPXJNSTUST-UHFFFAOYSA-N	-1	0	288.369	0.799	20	30		CCEDRM
Cc1cc2ncc(C(=O)N(CC#N)CC(=O)[O-])c(C)n2n1	ZINC000738487011	582055648	/nfs/dbraw/zinc/05/56/48/582055648.db2.gz	NRSOIMBUPAPGOT-UHFFFAOYSA-N	-1	0	287.279	0.397	20	30		CCEDRM
C=C1CCN(C(=O)[C@@H]2COCCN2C(=O)[O-])CC1	ZINC000738494686	582056106	/nfs/dbraw/zinc/05/61/06/582056106.db2.gz	UXLHMKUDFJNJLT-JTQLQIEISA-N	-1	0	254.286	0.544	20	30		CCEDRM
C=CCOCC(=O)N[C@@](C)(CNC(=O)[O-])C1CC1	ZINC000738491360	582056108	/nfs/dbraw/zinc/05/61/08/582056108.db2.gz	LFPFLSSVQFOKGD-LBPRGKRZSA-N	-1	0	256.302	0.742	20	30		CCEDRM
COCCNC(=O)C(C#N)=C([O-])c1ncccc1C	ZINC000750683167	582056308	/nfs/dbraw/zinc/05/63/08/582056308.db2.gz	AFAVTRKXNSRWLR-JTQLQIEISA-N	-1	0	261.281	0.475	20	30		CCEDRM
C=CCNC(=O)[C@H](C)N1CCN(C(=O)[O-])[C@H](C)C1	ZINC000738496212	582056431	/nfs/dbraw/zinc/05/64/31/582056431.db2.gz	UJUURCXLZVVUJZ-ZJUUUORDSA-N	-1	0	255.318	0.361	20	30		CCEDRM
C[C@@H](C(=O)N(C)CCC#N)N1CC[C@H](NC(=O)[O-])C1	ZINC000738606061	582065724	/nfs/dbraw/zinc/06/57/24/582065724.db2.gz	ZXAMHWWJSYBYDE-UWVGGRQHSA-N	-1	0	268.317	0.089	20	30		CCEDRM
CN(CCC#N)S(=O)(=O)Nc1ccc(O)cc1C(=O)[O-]	ZINC000776434973	582072972	/nfs/dbraw/zinc/07/29/72/582072972.db2.gz	UKSYDYPKIUHSPD-UHFFFAOYSA-N	-1	0	299.308	0.593	20	30		CCEDRM
CC(C)(CNC(=O)[O-])NS(=O)(=O)CCCC#N	ZINC000738753525	582073815	/nfs/dbraw/zinc/07/38/15/582073815.db2.gz	YXJWVDPBBPHYBU-UHFFFAOYSA-N	-1	0	263.319	0.256	20	30		CCEDRM
C[C@@H]1C[C@H](C(=O)[N-]S(=O)(=O)CC(C)(C)C#N)CCO1	ZINC000776561745	582077693	/nfs/dbraw/zinc/07/76/93/582077693.db2.gz	WXBTZMRXFNXRQM-NXEZZACHSA-N	-1	0	288.369	0.797	20	30		CCEDRM
CC(C)N(CCC#N)C(=O)COCCNC(=O)[O-]	ZINC000738838767	582082114	/nfs/dbraw/zinc/08/21/14/582082114.db2.gz	SFTYFHIGNYGSRP-UHFFFAOYSA-N	-1	0	257.290	0.421	20	30		CCEDRM
C#Cc1cccc(NC(=O)CNC(=O)CCC(=O)[O-])c1	ZINC000776601826	582084529	/nfs/dbraw/zinc/08/45/29/582084529.db2.gz	HFCDYMXYUDCQBT-UHFFFAOYSA-N	-1	0	274.276	0.587	20	30		CCEDRM
C=C(Br)CNC(=O)c1cnc([O-])n(C)c1=O	ZINC000751563631	582086074	/nfs/dbraw/zinc/08/60/74/582086074.db2.gz	GGAJQIPOKQZSSW-UHFFFAOYSA-N	-1	0	288.101	0.124	20	30		CCEDRM
Cc1nn(CCC(=O)[O-])c(C)c1C=NNCCCO	ZINC000738923294	582089283	/nfs/dbraw/zinc/08/92/83/582089283.db2.gz	STMODQAVPPOLGP-UHFFFAOYSA-N	-1	0	268.317	0.281	20	30		CCEDRM
C[C@H](NC(=O)C(=O)Nc1ccc(C#N)c(Cl)c1)C(=O)[O-]	ZINC000738952884	582093290	/nfs/dbraw/zinc/09/32/90/582093290.db2.gz	WEDULIIIMYSGCS-LURJTMIESA-N	-1	0	295.682	0.739	20	30		CCEDRM
N#C[C@H]1COCCN1C(=O)c1cccc(C(=O)[O-])c1	ZINC000739069444	582100483	/nfs/dbraw/zinc/10/04/83/582100483.db2.gz	QGWATUNCGSGNJJ-NSHDSACASA-N	-1	0	260.249	0.749	20	30		CCEDRM
N#C[C@H](C(=O)CCNC(=O)[O-])C(=O)Nc1ccccn1	ZINC000739074214	582101149	/nfs/dbraw/zinc/10/11/49/582101149.db2.gz	HIZNRBDSUPFTMQ-MRVPVSSYSA-N	-1	0	276.252	0.387	20	30		CCEDRM
C[C@H]1CCC[C@](C#N)(NC(=O)COCCNC(=O)[O-])C1	ZINC000739091563	582102112	/nfs/dbraw/zinc/10/21/12/582102112.db2.gz	LFXRJHZTFZMKKQ-GWCFXTLKSA-N	-1	0	283.328	0.859	20	30		CCEDRM
N#CCN(CC(=O)[O-])C(=O)c1cn(-c2ccccc2)nn1	ZINC000739088119	582102174	/nfs/dbraw/zinc/10/21/74/582102174.db2.gz	RNHZCRZSGIKJGQ-UHFFFAOYSA-N	-1	0	285.263	0.318	20	30		CCEDRM
Cn1cc(C#N)cc1C(=O)N1CC[C@@](C)(C(=O)[O-])C1	ZINC000833040370	602004065	/nfs/dbraw/zinc/00/40/65/602004065.db2.gz	CSIQPQGUPWVZLW-CYBMUJFWSA-N	-1	0	261.281	0.834	20	30		CCEDRM
C[C@@](C#N)(CC(=O)[O-])C(=O)OCc1cccc(C(N)=O)c1	ZINC000819874115	597621549	/nfs/dbraw/zinc/62/15/49/597621549.db2.gz	HPRTVDSONLDMDW-AWEZNQCLSA-N	-1	0	290.275	0.833	20	30		CCEDRM
C[C@@H]1CCCCN1C(=O)COC(=O)[C@@](C)(C#N)CC(=O)[O-]	ZINC000820235676	597622320	/nfs/dbraw/zinc/62/23/20/597622320.db2.gz	RRONJAAQLOMWIS-QMTHXVAHSA-N	-1	0	296.323	0.935	20	30		CCEDRM
C[C@@H]1CCCN(C(=O)COC(=O)[C@@](C)(C#N)CC(=O)[O-])C1	ZINC000820238497	597622367	/nfs/dbraw/zinc/62/23/67/597622367.db2.gz	QRCIFYUMRMTGFY-QMTHXVAHSA-N	-1	0	296.323	0.793	20	30		CCEDRM
C[C@@H](CN1CCCC1=O)NC(=O)[C@](C)(C#N)CC(=O)[O-]	ZINC000820095654	597636244	/nfs/dbraw/zinc/63/62/44/597636244.db2.gz	LBBAMZKDVANIIL-ZANVPECISA-N	-1	0	281.312	0.118	20	30		CCEDRM
C[C@@H](Cn1ccnc1)NC(=O)[C@](C)(C#N)CC(=O)[O-]	ZINC000820107557	597633245	/nfs/dbraw/zinc/63/32/45/597633245.db2.gz	MYRGJVXKDIRWHA-CABZTGNLSA-N	-1	0	264.285	0.392	20	30		CCEDRM
C[C@H](O)CC(C)(C)CNC(=O)[C@@](C)(C#N)CC(=O)[O-]	ZINC000820162146	597650364	/nfs/dbraw/zinc/65/03/64/597650364.db2.gz	ZFXWVNABQPACKC-TVQRCGJNSA-N	-1	0	270.329	0.904	20	30		CCEDRM
C[C@@](C#N)(CC(=O)[O-])C(=O)N1CCC(OCCCO)CC1	ZINC000819811683	597654634	/nfs/dbraw/zinc/65/46/34/597654634.db2.gz	UKJKEMXZFQDVLS-AWEZNQCLSA-N	-1	0	298.339	0.381	20	30		CCEDRM
C[C@](C#N)(CC(=O)[O-])C(=O)NCc1csc(=O)[nH]1	ZINC000819848988	597657175	/nfs/dbraw/zinc/65/71/75/597657175.db2.gz	WJPTWLUYMUZCTR-SNVBAGLBSA-N	-1	0	269.282	0.469	20	30		CCEDRM
C[C@](C#N)(CC(=O)[O-])C(=O)NCC1(CCO)CCC1	ZINC000819833374	597657993	/nfs/dbraw/zinc/65/79/93/597657993.db2.gz	GJLHQXDJFJJKHK-GFCCVEGCSA-N	-1	0	268.313	0.660	20	30		CCEDRM
C[C@H](O)[C@@H]1CCCN(C(=O)[C@@](C)(C#N)CC(=O)[O-])C1	ZINC000820154110	597658727	/nfs/dbraw/zinc/65/87/27/597658727.db2.gz	GHLVJNUGIYUBDN-OPQQBVKSSA-N	-1	0	268.313	0.610	20	30		CCEDRM
C[C@@H](CO)CCCNC(=O)[C@@](C)(C#N)CC(=O)[O-]	ZINC000820101785	597660098	/nfs/dbraw/zinc/66/00/98/597660098.db2.gz	GBEUPFQHMYNICR-BXKDBHETSA-N	-1	0	256.302	0.516	20	30		CCEDRM
CS(=O)(=O)c1ccc(C=NNCCC(=O)[O-])cc1	ZINC000820894421	597741337	/nfs/dbraw/zinc/74/13/37/597741337.db2.gz	QLIZRMCILMJZRC-UHFFFAOYSA-N	-1	0	270.310	0.488	20	30		CCEDRM
O=C([O-])CCNN=C1CCN(c2cnccn2)CC1	ZINC000821524933	597744006	/nfs/dbraw/zinc/74/40/06/597744006.db2.gz	KEDZIXFFEMXDHW-UHFFFAOYSA-N	-1	0	263.301	0.497	20	30		CCEDRM
Cc1nc(C)c(C#N)c(SCC(=O)NCC(=O)[O-])n1	ZINC000821165240	597752241	/nfs/dbraw/zinc/75/22/41/597752241.db2.gz	NYMUGYQLNAUUNY-UHFFFAOYSA-N	-1	0	280.309	0.258	20	30		CCEDRM
N#CCCCNC(=O)C(=O)Nc1ccccc1CC(=O)[O-]	ZINC000821320840	597822061	/nfs/dbraw/zinc/82/20/61/597822061.db2.gz	ZSSGMMGUUAFGIX-UHFFFAOYSA-N	-1	0	289.291	0.672	20	30		CCEDRM
C[C@H](Nc1ncnc2c1cnn2CCC#N)C(=O)[O-]	ZINC000820154168	598161337	/nfs/dbraw/zinc/16/13/37/598161337.db2.gz	IRCHGBKZCVGEHK-ZETCQYMHSA-N	-1	0	260.257	0.625	20	30		CCEDRM
Cc1onc(CC(=O)N2CCCC[C@H]2C(=O)[O-])c1C#N	ZINC000821257104	598220794	/nfs/dbraw/zinc/22/07/94/598220794.db2.gz	ICRCGFIVQXBWDZ-NSHDSACASA-N	-1	0	277.280	0.863	20	30		CCEDRM
C[C@@](C#N)(CC(=O)[O-])C(=O)Nc1ccc(CC(N)=O)cc1	ZINC000819849279	598223810	/nfs/dbraw/zinc/22/38/10/598223810.db2.gz	YSXSVPKSAMBINS-AWEZNQCLSA-N	-1	0	289.291	0.657	20	30		CCEDRM
Cc1cnc(COC(=O)[C@](C)(C#N)CC(=O)[O-])cn1	ZINC000821141178	598226380	/nfs/dbraw/zinc/22/63/80/598226380.db2.gz	ZLVJQUMACOVHDY-LBPRGKRZSA-N	-1	0	263.253	0.833	20	30		CCEDRM
C[C@](C#N)(CC(=O)[O-])C(=O)Nc1ccn(CCC#N)n1	ZINC000819856746	598228117	/nfs/dbraw/zinc/22/81/17/598228117.db2.gz	MQMGOWKYGKBGOV-GFCCVEGCSA-N	-1	0	275.268	0.740	20	30		CCEDRM
C[C@H](NC(=O)[C@](C)(C#N)CC(=O)OC(C)(C)C)C(=O)[O-]	ZINC000820115342	598230856	/nfs/dbraw/zinc/23/08/56/598230856.db2.gz	UWCHHAIJSBXPEO-SDBXPKJASA-N	-1	0	284.312	0.837	20	30		CCEDRM
C#CCO[N-]C(=O)c1cnc2cc(C)ccn2c1=O	ZINC000812784263	612993569	/nfs/dbraw/zinc/99/35/69/612993569.db2.gz	FHSJDOIGZUQQTH-UHFFFAOYSA-N	-1	0	257.249	0.298	20	30		CCEDRM
Cc1cncc(C(=O)Nc2nc(C#N)c(-c3nn[nH]n3)[n-]2)c1	ZINC000822399938	599314884	/nfs/dbraw/zinc/31/48/84/599314884.db2.gz	PXHBNLOIIHZZHW-UHFFFAOYSA-N	-1	0	295.266	0.417	20	30		CCEDRM
C#CCO[C@H](C)C(=O)[N-]S(=O)(=O)C[C@H](C)CCC	ZINC000835156850	613002265	/nfs/dbraw/zinc/00/22/65/613002265.db2.gz	RLEHKCBRFVQIEK-GHMZBOCLSA-N	-1	0	275.370	0.907	20	30		CCEDRM
N#Cc1ccc(CNC(=O)Cn2cc(C(=O)[O-])nn2)cc1	ZINC000090717016	599768657	/nfs/dbraw/zinc/76/86/57/599768657.db2.gz	PRGCFKIMXYJCAD-UHFFFAOYSA-N	-1	0	285.263	0.164	20	30		CCEDRM
N#Cc1cccc(NC(=O)CN2CCO[C@@H](C(=O)[O-])C2)c1	ZINC000043704799	599976237	/nfs/dbraw/zinc/97/62/37/599976237.db2.gz	WUZOIKCRNHIHQZ-GFCCVEGCSA-N	-1	0	289.291	0.282	20	30		CCEDRM
N#CCN(CC(=O)[O-])C(=O)c1cc(-c2ccoc2)n[nH]1	ZINC000739079121	600405636	/nfs/dbraw/zinc/40/56/36/600405636.db2.gz	RMHXDSBTGQDNHZ-UHFFFAOYSA-N	-1	0	274.236	0.720	20	30		CCEDRM
C=CCNC(=O)COc1ccc([N+](=O)[O-])c(C(=O)[O-])c1	ZINC000236460229	600444355	/nfs/dbraw/zinc/44/43/55/600444355.db2.gz	DDZIGUWSEQIGDV-UHFFFAOYSA-N	-1	0	280.236	0.974	20	30		CCEDRM
N#CCN(CC(=O)[O-])S(=O)(=O)c1ccc(F)cc1	ZINC000586120239	600764008	/nfs/dbraw/zinc/76/40/08/600764008.db2.gz	ZHDRAXIKOYGIKN-UHFFFAOYSA-N	-1	0	272.257	0.425	20	30		CCEDRM
Cn1cc(S(=O)(=O)N2CCC(C#N)CC2)cc1C(=O)[O-]	ZINC000694507183	600776733	/nfs/dbraw/zinc/77/67/33/600776733.db2.gz	OPURNDLXIWARRO-UHFFFAOYSA-N	-1	0	297.336	0.648	20	30		CCEDRM
C#CCCCNS(=O)(=O)c1cc(C(=O)[O-])n(C)c1	ZINC000229818023	600787538	/nfs/dbraw/zinc/78/75/38/600787538.db2.gz	QFEQUSKMECGBSH-UHFFFAOYSA-N	-1	0	270.310	0.415	20	30		CCEDRM
N#CCN(CC(=O)[O-])CC(=O)NCc1ccc(C#N)cc1	ZINC000833066675	601004999	/nfs/dbraw/zinc/00/49/99/601004999.db2.gz	FQOMAJPHZQJFQI-UHFFFAOYSA-N	-1	0	286.291	0.085	20	30		CCEDRM
C#CCSCC(=O)[N-]S(=O)(=O)c1ccc(OC)cc1	ZINC000892419286	613013020	/nfs/dbraw/zinc/01/30/20/613013020.db2.gz	BHICXOBPTDLIPY-UHFFFAOYSA-N	-1	0	299.373	0.867	20	30		CCEDRM
C#CCSCC(=O)[N-]S(=O)(=O)Cc1ccccc1	ZINC000892422780	613013097	/nfs/dbraw/zinc/01/30/97/613013097.db2.gz	XIHLFPCCWRAGAI-UHFFFAOYSA-N	-1	0	283.374	0.999	20	30		CCEDRM
CN(C(=O)Cn1cc(C(=O)[O-])nn1)c1cccc(C#N)c1	ZINC000090717197	601198466	/nfs/dbraw/zinc/19/84/66/601198466.db2.gz	NKWBWWIYARLNHY-UHFFFAOYSA-N	-1	0	285.263	0.511	20	30		CCEDRM
N#C[C@@H]1COCCN1C(=O)[C@@H]1CCC[C@H](C(=O)[O-])C1	ZINC000833062827	601211704	/nfs/dbraw/zinc/21/17/04/601211704.db2.gz	QITGVRSKCNYGOO-OUAUKWLOSA-N	-1	0	266.297	0.628	20	30		CCEDRM
Cc1ccccc1OC[C@@H](O)CN(CC#N)CC(=O)[O-]	ZINC000832978767	601226092	/nfs/dbraw/zinc/22/60/92/601226092.db2.gz	BFEUGILQQWHPFK-LBPRGKRZSA-N	-1	0	278.308	0.645	20	30		CCEDRM
N#CCN(CC(=O)[O-])Cc1cn2ccsc2n1	ZINC000833066887	601226868	/nfs/dbraw/zinc/22/68/68/601226868.db2.gz	LACSUHADMAVSNP-UHFFFAOYSA-N	-1	0	250.283	0.806	20	30		CCEDRM
N#CCN(CC(=O)[O-])C[C@H](O)COc1ccccc1F	ZINC000833067075	601242429	/nfs/dbraw/zinc/24/24/29/601242429.db2.gz	OKIVHHFPYNIRAM-JTQLQIEISA-N	-1	0	282.271	0.476	20	30		CCEDRM
Cn1cc(C#N)cc1C(=O)N[C@](C)(C(=O)[O-])C1CC1	ZINC000833040395	601268481	/nfs/dbraw/zinc/26/84/81/601268481.db2.gz	FKQBDBJXOUWELS-ZDUSSCGKSA-N	-1	0	261.281	0.880	20	30		CCEDRM
N#CC1(NC(=O)Cn2cc(C(=O)[O-])nn2)CCCCC1	ZINC000833064042	601280124	/nfs/dbraw/zinc/28/01/24/601280124.db2.gz	DKHANIPRSHVVNT-UHFFFAOYSA-N	-1	0	277.284	0.319	20	30		CCEDRM
N#C[C@]1(NC(=O)c2ccnc(C(=O)[O-])c2)CCSC1	ZINC000833064909	601282067	/nfs/dbraw/zinc/28/20/67/601282067.db2.gz	OWUCUFZMVMFZCC-GFCCVEGCSA-N	-1	0	277.305	0.909	20	30		CCEDRM
C[C@H]1CCC[C@](C#N)(NC(=O)Cn2cc(C(=O)[O-])nn2)C1	ZINC000828232504	601287367	/nfs/dbraw/zinc/28/73/67/601287367.db2.gz	GNNQTALHVFZWEF-ZANVPECISA-N	-1	0	291.311	0.565	20	30		CCEDRM
N#CCN1CCC(CNC(=O)[C@@H]2C[C@H]2C(=O)[O-])CC1	ZINC000833067480	601439165	/nfs/dbraw/zinc/43/91/65/601439165.db2.gz	VSTBKZYIJUIFOL-GHMZBOCLSA-N	-1	0	265.313	0.059	20	30		CCEDRM
Cc1[nH]c(C(=O)CN2CCOC[C@@H]2C#N)c(C)c1C(=O)[O-]	ZINC000832843871	601644415	/nfs/dbraw/zinc/64/44/15/601644415.db2.gz	IIBNNCDUGOHYBE-JTQLQIEISA-N	-1	0	291.307	0.737	20	30		CCEDRM
N#CCOc1ccccc1C(=O)N[C@@]1(C(=O)[O-])CCOC1	ZINC000833068271	601736393	/nfs/dbraw/zinc/73/63/93/601736393.db2.gz	UHQMDJMBQQNSBE-AWEZNQCLSA-N	-1	0	290.275	0.562	20	30		CCEDRM
C[C@@H]1CN(C(=O)Nc2ccn(CCC#N)n2)C[C@H]1C(=O)[O-]	ZINC000828388264	601794243	/nfs/dbraw/zinc/79/42/43/601794243.db2.gz	XMCWNJAPAMIOFP-NXEZZACHSA-N	-1	0	291.311	0.981	20	30		CCEDRM
N#CCN(CC(=O)[O-])C[C@@H](O)c1ccc(C#N)cc1	ZINC000833067691	602018751	/nfs/dbraw/zinc/01/87/51/602018751.db2.gz	XMXQKJQQAFVOBP-GFCCVEGCSA-N	-1	0	259.265	0.502	20	30		CCEDRM
C[C@@H](CC(=O)[O-])C(=O)[C@@H](C#N)C(=O)NC1CCCC1	ZINC000827240735	602183243	/nfs/dbraw/zinc/18/32/43/602183243.db2.gz	MWQYQVLXAIGHFA-WCBMZHEXSA-N	-1	0	266.297	0.865	20	30		CCEDRM
N#CCC[C@@H](C#N)Cn1cc([N+](=O)[O-])cc(C(=O)[O-])c1=O	ZINC000833061747	602300321	/nfs/dbraw/zinc/30/03/21/602300321.db2.gz	GNMXOYJKXNUSIE-QMMMGPOBSA-N	-1	0	290.235	0.898	20	30		CCEDRM
N#C[C@@H]1CN(C(=O)C[C@H]2CCCN2C(=O)[O-])CCO1	ZINC000831076714	602872845	/nfs/dbraw/zinc/87/28/45/602872845.db2.gz	RNAKCTXHJHKSTG-NXEZZACHSA-N	-1	0	267.285	0.270	20	30		CCEDRM
C#CC[C@@H](CCOC)NS(=O)(=O)c1ncc[n-]1	ZINC000867568860	613023041	/nfs/dbraw/zinc/02/30/41/613023041.db2.gz	QJXPDNDVHNCXFT-VIFPVBQESA-N	-1	0	257.315	0.116	20	30		CCEDRM
O=C([O-])Nc1ccc(C=NN[C@@H]2CCS(=O)(=O)C2)cn1	ZINC000832840003	603485012	/nfs/dbraw/zinc/48/50/12/603485012.db2.gz	CCJQUVHTQOVHGP-SECBINFHSA-N	-1	0	298.324	0.282	20	30		CCEDRM
N#C[C@@H]1CN(C(=O)[O-])CCN1C(=O)COCC1CC1	ZINC000831082387	603596416	/nfs/dbraw/zinc/59/64/16/603596416.db2.gz	LMVBRIBWSQPWAR-SNVBAGLBSA-N	-1	0	267.285	0.127	20	30		CCEDRM
N#CCN1CCN(C(=O)[C@@H]2CC[C@H](NC(=O)[O-])C2)CC1	ZINC000831102706	603626722	/nfs/dbraw/zinc/62/67/22/603626722.db2.gz	RJCGDGLJAFOMAL-MNOVXSKESA-N	-1	0	280.328	0.090	20	30		CCEDRM
C[C@H](C#N)NC(=O)C1(NC(=O)[O-])Cc2ccccc2C1	ZINC000823646914	603699935	/nfs/dbraw/zinc/69/99/35/603699935.db2.gz	HLQOSWLSVGVJRB-SECBINFHSA-N	-1	0	273.292	0.820	20	30		CCEDRM
C[C@H](C#N)C(=O)NC[C@@H]1[C@@H](C)OC(C)(C)N1C(=O)[O-]	ZINC000823647756	603811083	/nfs/dbraw/zinc/81/10/83/603811083.db2.gz	NICIBZSRJJFVAT-IWSPIJDZSA-N	-1	0	269.301	0.766	20	30		CCEDRM
C[C@@H](C#N)CN(C)C(=O)[C@@]1(F)CCN(C(=O)[O-])C1	ZINC000823646640	603840874	/nfs/dbraw/zinc/84/08/74/603840874.db2.gz	DHUCJCWJGUQACS-GZMMTYOYSA-N	-1	0	257.265	0.696	20	30		CCEDRM
N#C[C@@H]1CN(C(=O)[O-])CCN1C(=O)CSC(F)(F)F	ZINC000831082054	604067767	/nfs/dbraw/zinc/06/77/67/604067767.db2.gz	GYIBQXCSDIILDE-ZCFIWIBFSA-N	-1	0	297.258	0.954	20	30		CCEDRM
N#C[C@@H]1CN(C(=O)[O-])CCN1C(=O)CC1(O)CCCC1	ZINC000831076737	604071298	/nfs/dbraw/zinc/07/12/98/604071298.db2.gz	RSGIOGZUMRSUDX-SNVBAGLBSA-N	-1	0	281.312	0.396	20	30		CCEDRM
N#C[C@H]1CN(C(=O)[O-])CCN1C(=O)C(F)(F)C(F)F	ZINC000831076619	604080075	/nfs/dbraw/zinc/08/00/75/604080075.db2.gz	PRWZNCMCCWHNNZ-YFKPBYRVSA-N	-1	0	283.181	0.601	20	30		CCEDRM
N#C[C@@H]1CN(C(=O)[O-])CCN1C(=O)CCCn1ccnc1	ZINC000831083171	604080957	/nfs/dbraw/zinc/08/09/57/604080957.db2.gz	XFFZPQHMPCSLTO-LLVKDONJSA-N	-1	0	291.311	0.378	20	30		CCEDRM
N#C[C@@H](C(=O)N1CCCC1)C(=O)[C@@]1(F)CCN(C(=O)[O-])C1	ZINC000831064278	604152761	/nfs/dbraw/zinc/15/27/61/604152761.db2.gz	DZDZPXYZFQKOHL-NOZJJQNGSA-N	-1	0	297.286	0.410	20	30		CCEDRM
Cc1ccc(F)c(OCC(=O)N(CC#N)CC(=O)[O-])c1	ZINC000832935988	604284929	/nfs/dbraw/zinc/28/49/29/604284929.db2.gz	VGYXVQRJURONJV-UHFFFAOYSA-N	-1	0	280.255	0.950	20	30		CCEDRM
N#Cc1ncn(CC(=O)Nc2cc(C(=O)[O-])cs2)n1	ZINC000833078788	604340754	/nfs/dbraw/zinc/34/07/54/604340754.db2.gz	PRNCEQGMWKPCGB-UHFFFAOYSA-N	-1	0	277.265	0.548	20	30		CCEDRM
C[C@@H]1CC[C@H](C(=O)N2CCN(C(=O)[O-])C[C@H]2C#N)O1	ZINC000825866899	604391096	/nfs/dbraw/zinc/39/10/96/604391096.db2.gz	TWKRFWUPSOPRAJ-OPRDCNLKSA-N	-1	0	267.285	0.268	20	30		CCEDRM
C[C@H](C#N)C(=O)N1CCO[C@@H]([C@@H](C)NC(=O)[O-])C1	ZINC000823646484	604676824	/nfs/dbraw/zinc/67/68/24/604676824.db2.gz	COCHZONMXCRKMD-IWSPIJDZSA-N	-1	0	255.274	0.030	20	30		CCEDRM
N#C[C@]1(NC(=O)C[C@H]2CN(C(=O)[O-])CCO2)CCSC1	ZINC000831070763	604799217	/nfs/dbraw/zinc/79/92/17/604799217.db2.gz	RLXLZTLXPDHBSW-JOYOIKCWSA-N	-1	0	299.352	0.271	20	30		CCEDRM
NC(=O)CON=Cc1c[nH]c2ccc(C(=O)[O-])cc12	ZINC000833761473	604860204	/nfs/dbraw/zinc/86/02/04/604860204.db2.gz	DEMGGAXPQSDVHA-UHFFFAOYSA-N	-1	0	261.237	0.702	20	30		CCEDRM
C[C@@H](C(=O)[O-])n1cccc1C=NN[C@H]1CCS(=O)(=O)C1	ZINC000833406050	605037011	/nfs/dbraw/zinc/03/70/11/605037011.db2.gz	KWFJCWKGQYQZOJ-UWVGGRQHSA-N	-1	0	299.352	0.244	20	30		CCEDRM
C#CCN1CCN(C(=O)CC(C)(C)CC(=O)[O-])CC1	ZINC000061827069	605109306	/nfs/dbraw/zinc/10/93/06/605109306.db2.gz	GYMOOACAAXXXIV-UHFFFAOYSA-N	-1	0	266.341	0.655	20	30		CCEDRM
C[C@@]1(C(=O)[O-])CCN(C(=O)CNc2ccc(C#N)cn2)C1	ZINC000833552911	605227592	/nfs/dbraw/zinc/22/75/92/605227592.db2.gz	CKZMELCELXDRIX-CQSZACIVSA-N	-1	0	288.307	0.688	20	30		CCEDRM
N#CCN1CCC(OC(=O)[C@@H]2CCCN2C(=O)[O-])CC1	ZINC000831102729	605269822	/nfs/dbraw/zinc/26/98/22/605269822.db2.gz	SFBQHUXGOGKBMK-NSHDSACASA-N	-1	0	281.312	0.660	20	30		CCEDRM
N#C[C@H]1COCCN1C(=O)CC[C@@H]1CCCN1C(=O)[O-]	ZINC000833968753	605481739	/nfs/dbraw/zinc/48/17/39/605481739.db2.gz	XTFILJOABJSVMU-QWRGUYRKSA-N	-1	0	281.312	0.660	20	30		CCEDRM
N#C[C@H]1CN(C(=O)[O-])CCN1C(=O)c1cnco1	ZINC000833965675	605494544	/nfs/dbraw/zinc/49/45/44/605494544.db2.gz	CXUDLDKVJANJSB-ZETCQYMHSA-N	-1	0	250.214	0.003	20	30		CCEDRM
C[C@@](O)(CN(CCC#N)Cc1ccccn1)C(=O)[O-]	ZINC000833523969	605499637	/nfs/dbraw/zinc/49/96/37/605499637.db2.gz	BKNZYZGOXNGVEB-CYBMUJFWSA-N	-1	0	263.297	0.633	20	30		CCEDRM
C[C@@](O)(CN(CCC#N)Cc1ccco1)C(=O)[O-]	ZINC000833525705	605499744	/nfs/dbraw/zinc/49/97/44/605499744.db2.gz	UFIGZXNYQYRQAN-GFCCVEGCSA-N	-1	0	252.270	0.831	20	30		CCEDRM
COC[C@@H](C#N)OC(=O)CC1CCN(C(=O)[O-])CC1	ZINC000833882031	605638460	/nfs/dbraw/zinc/63/84/60/605638460.db2.gz	IIHDMSRTFNFOKS-SNVBAGLBSA-N	-1	0	270.285	0.848	20	30		CCEDRM
C[C@H](C#N)NC(=O)CO[C@H]1CCCN(C(=O)[O-])C1	ZINC000823647132	605669257	/nfs/dbraw/zinc/66/92/57/605669257.db2.gz	JDHKEVBTRXUSQY-BDAKNGLRSA-N	-1	0	255.274	0.174	20	30		CCEDRM
Cc1onc(CC(=O)NCCCNC(=O)[O-])c1C#N	ZINC000833935463	605680106	/nfs/dbraw/zinc/68/01/06/605680106.db2.gz	HBSHEUXQRZHUQB-UHFFFAOYSA-N	-1	0	266.257	0.171	20	30		CCEDRM
N#C[C@@H]1CN(C(=O)[O-])C[C@H]1NC[C@@H](O)c1ccccc1F	ZINC000833969041	605685454	/nfs/dbraw/zinc/68/54/54/605685454.db2.gz	ZQPWZPAFTBGHSZ-OASPWFOLSA-N	-1	0	293.298	0.951	20	30		CCEDRM
C=CCOCCNC(=O)N1CC[C@@](C)(C(=O)[O-])C1	ZINC000310774380	605752801	/nfs/dbraw/zinc/75/28/01/605752801.db2.gz	PECRVWUZVPWFOX-GFCCVEGCSA-N	-1	0	256.302	0.695	20	30		CCEDRM
NC(=O)CON=C1CCC[C@@H]1[C@H]1CCCN1C(=O)[O-]	ZINC000833984358	605754905	/nfs/dbraw/zinc/75/49/05/605754905.db2.gz	DSOMCMLTDQQVSB-WCBMZHEXSA-N	-1	0	269.301	0.787	20	30		CCEDRM
N#Cc1cnn(C(=O)C[C@@H]2CSCCN2C(=O)[O-])c1N	ZINC000831162230	605892074	/nfs/dbraw/zinc/89/20/74/605892074.db2.gz	YRGGLPQXLJOUEQ-MRVPVSSYSA-N	-1	0	295.324	0.463	20	30		CCEDRM
N#C[C@@H]1CN(C(=O)[C@@H]2CC23CCN(C(=O)[O-])CC3)CCO1	ZINC000833968510	605919658	/nfs/dbraw/zinc/91/96/58/605919658.db2.gz	VYBSTNRNQHOWGT-MNOVXSKESA-N	-1	0	293.323	0.517	20	30		CCEDRM
N#C[C@@H]1CSCCN1C(=O)[C@H]1CC[C@@H](NC(=O)[O-])C1	ZINC000833966308	605972847	/nfs/dbraw/zinc/97/28/47/605972847.db2.gz	KALJCLARFPNOST-IVZWLZJFSA-N	-1	0	283.353	0.890	20	30		CCEDRM
N#C[C@@H]1CSCCN1C(=O)CN(CC1CC1)C(=O)[O-]	ZINC000833967520	605978608	/nfs/dbraw/zinc/97/86/08/605978608.db2.gz	RIAXQWZAUQANQV-SNVBAGLBSA-N	-1	0	283.353	0.844	20	30		CCEDRM
N#C[C@H](C(=O)CN(C(=O)[O-])C1CC1)C(=O)N1CCCC1	ZINC000833961028	605981764	/nfs/dbraw/zinc/98/17/64/605981764.db2.gz	NLGZXSQBEVDJRG-SNVBAGLBSA-N	-1	0	279.296	0.460	20	30		CCEDRM
N#C[C@H](C(=O)CN(C(=O)[O-])C1CC1)C(=O)NC1CCCC1	ZINC000833960637	605982779	/nfs/dbraw/zinc/98/27/79/605982779.db2.gz	KFFXEIWGQIDIAU-LLVKDONJSA-N	-1	0	293.323	0.896	20	30		CCEDRM
N#CC1(COC(=O)CN(C[C@H]2CCCO2)C(=O)[O-])CC1	ZINC000833964240	606000271	/nfs/dbraw/zinc/00/02/71/606000271.db2.gz	CTKGUUPBSQHOHM-SNVBAGLBSA-N	-1	0	282.296	0.992	20	30		CCEDRM
N#CCCN(CCC#N)C(=O)[C@H](CC(F)F)NC(=O)[O-]	ZINC000833965617	606018211	/nfs/dbraw/zinc/01/82/11/606018211.db2.gz	PEEOYEITXYBWPG-QMMMGPOBSA-N	-1	0	288.254	0.934	20	30		CCEDRM
N#C[C@H]1CN(C(=O)[O-])CCN1C(=O)[C@H]1CCCCS1	ZINC000833967481	606032521	/nfs/dbraw/zinc/03/25/21/606032521.db2.gz	RFSHKKUWELDJNN-VHSXEESVSA-N	-1	0	283.353	0.986	20	30		CCEDRM
N#CC1(NC(=O)[C@@H](CC(F)F)NC(=O)[O-])CCOCC1	ZINC000833964038	606050841	/nfs/dbraw/zinc/05/08/41/606050841.db2.gz	BQEZEECLHLALKS-SSDOTTSWSA-N	-1	0	291.254	0.467	20	30		CCEDRM
N#CCCCCNC(=O)CCOC1CN(C(=O)[O-])C1	ZINC000833969898	606084090	/nfs/dbraw/zinc/08/40/90/606084090.db2.gz	YKBJMZJZISVLJB-UHFFFAOYSA-N	-1	0	269.301	0.565	20	30		CCEDRM
C#CCCS(=O)(=O)[N-]C(=O)CCc1ccnc(C)n1	ZINC000842780796	613052696	/nfs/dbraw/zinc/05/26/96/613052696.db2.gz	QKGZVTJKHXEJAM-UHFFFAOYSA-N	-1	0	281.337	0.187	20	30		CCEDRM
C#CCCS(=O)(=O)[N-]C(=O)COCC1CCCC1	ZINC000835371473	613052706	/nfs/dbraw/zinc/05/27/06/613052706.db2.gz	JJKXONQCUJOHOK-UHFFFAOYSA-N	-1	0	273.354	0.663	20	30		CCEDRM
C#CCCS(=O)(=O)[N-]C(=O)[C@@H](OC)[C@H](C)CC	ZINC000810778593	613053250	/nfs/dbraw/zinc/05/32/50/613053250.db2.gz	FHGPFEDWRXUABG-ZJUUUORDSA-N	-1	0	261.343	0.517	20	30		CCEDRM
C#CCCS(=O)(=O)[N-]C(=O)c1ccc(C)[nH]c1=O	ZINC000810782711	613053536	/nfs/dbraw/zinc/05/35/36/613053536.db2.gz	SVSBRWQNPXPVNN-UHFFFAOYSA-N	-1	0	268.294	0.179	20	30		CCEDRM
C#CC[C@H](NC(=O)Nc1cc(C)nn1C)C(=O)[O-]	ZINC000908625439	613068586	/nfs/dbraw/zinc/06/85/86/613068586.db2.gz	MBANEGQAEIOJPK-QMMMGPOBSA-N	-1	0	250.258	0.327	20	30		CCEDRM
C#CC[C@H](NC(=O)[C@@H](O)C1CCCCC1)C(=O)[O-]	ZINC000910052300	613068595	/nfs/dbraw/zinc/06/85/95/613068595.db2.gz	SSGFMBPIUINSGN-QWRGUYRKSA-N	-1	0	253.298	0.520	20	30		CCEDRM
C#CC[C@H](NC(=O)c1cc(C(F)F)n(C)n1)C(=O)[O-]	ZINC000907719442	613069941	/nfs/dbraw/zinc/06/99/41/613069941.db2.gz	OCRMZGDPQCBGRV-LURJTMIESA-N	-1	0	271.223	0.564	20	30		CCEDRM
C#CC[C@H](NC(=O)[C@H](C)OC[C@H]1CCCCO1)C(=O)[O-]	ZINC000910052927	613069175	/nfs/dbraw/zinc/06/91/75/613069175.db2.gz	KLWSGPIVYBGBIV-TUAOUCFPSA-N	-1	0	283.324	0.553	20	30		CCEDRM
C#C[C@@H](C)N(C)S(=O)(=O)c1cc(C(=O)[O-])ccc1[O-]	ZINC000906958419	613079696	/nfs/dbraw/zinc/07/96/96/613079696.db2.gz	XQJLRJOZCYDJQW-MRVPVSSYSA-N	-1	0	283.305	0.733	20	30		CCEDRM
C#C[C@@H](C)NS(=O)(=O)c1c[nH]nc1C(F)(F)F	ZINC000820796126	613082276	/nfs/dbraw/zinc/08/22/76/613082276.db2.gz	AOCDOKFVMVMRAW-RXMQYKEDSA-N	-1	0	267.232	0.729	20	30		CCEDRM
C#C[C@@H](C)NS(=O)(=O)c1ccc(OCC(=O)[O-])c(C)c1	ZINC000871950938	613082386	/nfs/dbraw/zinc/08/23/86/613082386.db2.gz	HWZFRVHEWAMPGN-SNVBAGLBSA-N	-1	0	297.332	0.758	20	30		CCEDRM
C#C[C@@H](C)NS(=O)(=O)c1ccccc1[N+](=O)[O-]	ZINC000124031883	613082396	/nfs/dbraw/zinc/08/23/96/613082396.db2.gz	AOPSYRURBPVLLW-MRVPVSSYSA-N	-1	0	254.267	0.895	20	30		CCEDRM
C#CCN(CC#C)Cc1nc(C(C)(C)NC(=O)[O-])no1	ZINC000823450972	613099117	/nfs/dbraw/zinc/09/91/17/613099117.db2.gz	LXFYKBFKAPNHED-UHFFFAOYSA-N	-1	0	276.296	0.641	20	30		CCEDRM
C#CC1(O)CN(C(=O)c2c([O-])cc(F)cc2F)C1	ZINC000890522367	612958800	/nfs/dbraw/zinc/95/88/00/612958800.db2.gz	LAIOVSPTAHVRBY-UHFFFAOYSA-N	-1	0	253.204	0.491	20	30		CCEDRM
COc1cc(NCC(=O)NCC#N)c(C(=O)[O-])cc1OC	ZINC000832027223	617206746	/nfs/dbraw/zinc/20/67/46/617206746.db2.gz	WFXYJGWVGIOVFA-UHFFFAOYSA-N	-1	0	293.279	0.454	20	30		CCEDRM
CC#CCS(=O)(=O)[N-]C(=O)[C@H](C)OCCCC	ZINC000810774495	613646921	/nfs/dbraw/zinc/64/69/21/613646921.db2.gz	IZPIJKRWGOKMQS-JTQLQIEISA-N	-1	0	261.343	0.661	20	30		CCEDRM
C=CCO[N-]C(=O)[C@H]1COCCN1CC(F)(F)F	ZINC000837050435	613884542	/nfs/dbraw/zinc/88/45/42/613884542.db2.gz	ZGTXDRQTPIBJTF-MRVPVSSYSA-N	-1	0	268.235	0.483	20	30		CCEDRM
CC(C)(CNC(=O)C1(C#N)CCOCC1)C(=O)[O-]	ZINC000826554505	614093022	/nfs/dbraw/zinc/09/30/22/614093022.db2.gz	TVYIONVOHOSLSL-UHFFFAOYSA-N	-1	0	254.286	0.534	20	30		CCEDRM
CC(C)[C@@](C)(C#N)NC(=O)COC(=O)C[C@H](C)NC(=O)[O-]	ZINC000824727438	614180424	/nfs/dbraw/zinc/18/04/24/614180424.db2.gz	HVWYSCKPPSKYEF-TVQRCGJNSA-N	-1	0	299.327	0.630	20	30		CCEDRM
CC(C)[C@H](CCO)NC(=O)[C@](C)(C#N)CC(=O)[O-]	ZINC000819955314	614207367	/nfs/dbraw/zinc/20/73/67/614207367.db2.gz	RZFZJVCSPSEEHN-CABZTGNLSA-N	-1	0	256.302	0.514	20	30		CCEDRM
CC(C)N(C)S(=O)(=O)N1CCC[C@H](C#CC(=O)[O-])C1	ZINC000899930213	614268714	/nfs/dbraw/zinc/26/87/14/614268714.db2.gz	PEXGPHVOPTZGJJ-LLVKDONJSA-N	-1	0	288.369	0.371	20	30		CCEDRM
COc1ccc(C=Nn2c(=O)[n-][nH]c2=O)cc1OC	ZINC000814232449	617238533	/nfs/dbraw/zinc/23/85/33/617238533.db2.gz	WYZVZZWZIDFWFK-UHFFFAOYSA-N	-1	0	264.241	0.589	20	30		CCEDRM
CS[C@H](C)CC(=O)[N-]S(=O)(=O)CC1(C#N)CC1	ZINC000793204687	617275537	/nfs/dbraw/zinc/27/55/37/617275537.db2.gz	PBHLZQYYLCFPPT-MRVPVSSYSA-N	-1	0	276.383	0.878	20	30		CCEDRM
COc1cccc(CC(=O)N[C@H]2CCN(O)C2=O)c1	ZINC000816695679	617295692	/nfs/dbraw/zinc/29/56/92/617295692.db2.gz	IKOIISTYHVBHLN-NSHDSACASA-N	-1	0	264.281	0.344	20	30		CCEDRM
C[C@@H](C#N)OC(=O)CO[C@@H]1CCCN(C(=O)[O-])C1	ZINC000823646403	617296844	/nfs/dbraw/zinc/29/68/44/617296844.db2.gz	BEJYNDWUVXIRGO-DTWKUNHWSA-N	-1	0	256.258	0.601	20	30		CCEDRM
C#CC(=O)NC[C@@H](Cc1ccccc1OC)C(=O)[O-]	ZINC000833361046	612945598	/nfs/dbraw/zinc/94/55/98/612945598.db2.gz	VSXTTXGAWIJVMR-LLVKDONJSA-N	-1	0	261.277	0.688	20	30		CCEDRM
C#CC1(O)CN(C(=O)c2cc(C#N)c(SC)[n-]c2=O)C1	ZINC000890521214	612958896	/nfs/dbraw/zinc/95/88/96/612958896.db2.gz	WPCKEXCDCGRANA-UHFFFAOYSA-N	-1	0	289.316	0.201	20	30		CCEDRM
C#CCCCC(=O)N1C[C@@H](OC)C[C@]1(C)C(=O)[O-]	ZINC000910267298	612974930	/nfs/dbraw/zinc/97/49/30/612974930.db2.gz	VYERILIISDKWAR-GXFFZTMASA-N	-1	0	253.298	0.881	20	30		CCEDRM
C#CCCCCCC(=O)[N-]S(=O)(=O)CC(=O)OC	ZINC000838801434	612976378	/nfs/dbraw/zinc/97/63/78/612976378.db2.gz	LHCAKYMQDBCLDS-UHFFFAOYSA-N	-1	0	275.326	0.189	20	30		CCEDRM
C#CCOCCC(=O)N1CCC(c2n[nH]c(=O)[n-]2)CC1	ZINC000843875301	612977653	/nfs/dbraw/zinc/97/76/53/612977653.db2.gz	MIRFEVMCGCPSBB-UHFFFAOYSA-N	-1	0	278.312	0.256	20	30		CCEDRM
C#CCCCNC(=O)C(=O)NCc1ccc(C(=O)[O-])cc1	ZINC000817110524	612980300	/nfs/dbraw/zinc/98/03/00/612980300.db2.gz	GXSQHKMKXDWGLU-UHFFFAOYSA-N	-1	0	288.303	0.531	20	30		CCEDRM
C#CCCCNC(=O)c1cc(=O)n(-c2nc(C)cc(C)n2)[n-]1	ZINC000900872254	612982452	/nfs/dbraw/zinc/98/24/52/612982452.db2.gz	WXDVLGMPAZXRLK-UHFFFAOYSA-N	-1	0	299.334	0.716	20	30		CCEDRM
C#CCOCCNC(=O)NCCC(C)(C)C(=O)[O-]	ZINC000818624214	612987057	/nfs/dbraw/zinc/98/70/57/612987057.db2.gz	LGOJYTIAICOSOX-UHFFFAOYSA-N	-1	0	256.302	0.436	20	30		CCEDRM
C#CCOCCNC(=O)[C@H]1[C@H]2C=C[C@H](C2)[C@@]1(C)C(=O)[O-]	ZINC000899782812	612988861	/nfs/dbraw/zinc/98/88/61/612988861.db2.gz	WNAWYLSQDQYGSE-FUTJPDQTSA-N	-1	0	277.320	0.665	20	30		CCEDRM
C#CCO[N-]C(=O)C1(n2cc(Br)cn2)CC1	ZINC000825136999	612991861	/nfs/dbraw/zinc/99/18/61/612991861.db2.gz	JIVQGASHSOZSDN-UHFFFAOYSA-N	-1	0	284.113	0.816	20	30		CCEDRM
C#CCO[N-]C(=O)[C@@H](C)c1ccc(S(C)(=O)=O)cc1	ZINC000812786128	612992281	/nfs/dbraw/zinc/99/22/81/612992281.db2.gz	ALCLTEQMDKUVEB-JTQLQIEISA-N	-1	0	281.333	0.875	20	30		CCEDRM
C#CCO[N-]C(=O)[C@@H]1CCCCN1S(=O)(=O)CCC	ZINC000812782714	612992656	/nfs/dbraw/zinc/99/26/56/612992656.db2.gz	FMRXSJWSKIDIAX-NSHDSACASA-N	-1	0	288.369	0.262	20	30		CCEDRM
C#CCO[N-]C(=O)[C@@H]1CSCN1C(=O)OCC	ZINC000825136965	612992718	/nfs/dbraw/zinc/99/27/18/612992718.db2.gz	HYOQNJSRQBTYLB-QMMMGPOBSA-N	-1	0	258.299	0.199	20	30		CCEDRM
C#CCO[C@@H](C)C(=O)NC1(C(=O)[O-])CCSCC1	ZINC000909346028	612995818	/nfs/dbraw/zinc/99/58/18/612995818.db2.gz	DHDQWFHFXULKOI-VIFPVBQESA-N	-1	0	271.338	0.491	20	30		CCEDRM
C#CCO[C@@H](C)C(=O)N[C@@H](C(=O)[O-])c1ccc(OC)cc1	ZINC000909329699	612997084	/nfs/dbraw/zinc/99/70/84/612997084.db2.gz	XKUISANXDHNXDY-GXFFZTMASA-N	-1	0	291.303	0.975	20	30		CCEDRM
C#CCO[C@H](C)C(=O)NC[C@]1(C(=O)[O-])CCCOC1	ZINC000910306845	613001840	/nfs/dbraw/zinc/00/18/40/613001840.db2.gz	KFBGRIMDQKVSPD-ZWNOBZJWSA-N	-1	0	269.297	0.022	20	30		CCEDRM
C#CCO[C@H](C)C(=O)NCc1ncc(C(=O)[O-])s1	ZINC000910817133	613002050	/nfs/dbraw/zinc/00/20/50/613002050.db2.gz	SIHRJMOATCHMKP-SSDOTTSWSA-N	-1	0	268.294	0.496	20	30		CCEDRM
C#CCOc1cccc(NC(=O)NCCOCC(=O)[O-])c1	ZINC000864593534	613007470	/nfs/dbraw/zinc/00/74/70/613007470.db2.gz	ZGOXINKWNXTFNL-UHFFFAOYSA-N	-1	0	292.291	0.921	20	30		CCEDRM
C#CCCN1CCN(C(=O)c2ccnc(C(=O)[O-])c2)CC1	ZINC000825609096	613010720	/nfs/dbraw/zinc/01/07/20/613010720.db2.gz	UKSWVUBGQYFDKT-UHFFFAOYSA-N	-1	0	287.319	0.561	20	30		CCEDRM
C#CCSCCNC(=O)[C@@]1(C)CCN(C(=O)[O-])C1	ZINC000823466879	613017546	/nfs/dbraw/zinc/01/75/46/613017546.db2.gz	KVDKDTUWEZXFQZ-LBPRGKRZSA-N	-1	0	270.354	0.859	20	30		CCEDRM
C#CC[C@@H](NC(=O)CNC(=O)CCC1CCCC1)C(=O)[O-]	ZINC000910054536	613039680	/nfs/dbraw/zinc/03/96/80/613039680.db2.gz	PPONJOZLNCLNGI-GFCCVEGCSA-N	-1	0	294.351	0.666	20	30		CCEDRM
C#CC[C@@H](NC(=O)[C@@H]1CC12CC(OCC)C2)C(=O)[O-]	ZINC000910048207	613040703	/nfs/dbraw/zinc/04/07/03/613040703.db2.gz	GUHUSBYNADTIJV-DUEVMTECSA-N	-1	0	265.309	0.784	20	30		CCEDRM
C#CC[C@@H](NC(=O)c1c(C(F)(F)F)cnn1C)C(=O)[O-]	ZINC000910045331	613041617	/nfs/dbraw/zinc/04/16/17/613041617.db2.gz	BECOFTDCCXUTHW-SSDOTTSWSA-N	-1	0	289.213	0.645	20	30		CCEDRM
C#CC[C@@H](NC(=O)c1cn(C2CCC2)nn1)C(=O)[O-]	ZINC000910046710	613042222	/nfs/dbraw/zinc/04/22/22/613042222.db2.gz	UIQUXMGYMKLQLI-SECBINFHSA-N	-1	0	262.269	0.209	20	30		CCEDRM
C#CC[C@@H](NC(=O)c1cnn2c1CCCC2)C(=O)[O-]	ZINC000910054640	613042423	/nfs/dbraw/zinc/04/24/23/613042423.db2.gz	UZYPFSZPFZOBKX-SNVBAGLBSA-N	-1	0	261.281	0.426	20	30		CCEDRM
C#CCCNS(=O)(=O)c1c[nH]nc1C(F)(F)F	ZINC000866785430	613048038	/nfs/dbraw/zinc/04/80/38/613048038.db2.gz	WJQXPUFLRWQZMG-UHFFFAOYSA-N	-1	0	267.232	0.730	20	30		CCEDRM
C#CCCNS(=O)(=O)c1cc(OC)ccc1O	ZINC000866784851	613048031	/nfs/dbraw/zinc/04/80/31/613048031.db2.gz	IFEHIVCYTSNBBV-UHFFFAOYSA-N	-1	0	255.295	0.702	20	30		CCEDRM
C#CCCS(=O)(=O)[N-]C(=O)C[C@H](C)[C@@H]1CCCO1	ZINC000851000585	613052995	/nfs/dbraw/zinc/05/29/95/613052995.db2.gz	XCTCEDJNSVZLBZ-QWRGUYRKSA-N	-1	0	273.354	0.661	20	30		CCEDRM
C#CCCS(=O)(=O)[N-]C(=O)c1c(C)nn(C)c1C	ZINC000810779936	613053429	/nfs/dbraw/zinc/05/34/29/613053429.db2.gz	HQURPRBKMKGFRA-UHFFFAOYSA-N	-1	0	269.326	0.120	20	30		CCEDRM
C#CCCS(=O)(=O)[N-]C(=O)c1cnc2n1CCCC2	ZINC000835371163	613053785	/nfs/dbraw/zinc/05/37/85/613053785.db2.gz	GIOCEYPXRIYERS-UHFFFAOYSA-N	-1	0	281.337	0.302	20	30		CCEDRM
C#CC[C@H](CO)NC(=O)c1cccc(OCC(=O)[O-])c1	ZINC000911396134	613057857	/nfs/dbraw/zinc/05/78/57/613057857.db2.gz	XZYLOIPODDAXQA-LLVKDONJSA-N	-1	0	277.276	0.264	20	30		CCEDRM
C#CCN(C(=O)CCCc1nnn[n-]1)C1CCCC1	ZINC000820817968	613065552	/nfs/dbraw/zinc/06/55/52/613065552.db2.gz	JJSXWRIHQVIBER-UHFFFAOYSA-N	-1	0	261.329	0.927	20	30		CCEDRM
C#CC[C@H](NC(=O)CCOC[C@H]1CCCO1)C(=O)[O-]	ZINC000910052726	613067673	/nfs/dbraw/zinc/06/76/73/613067673.db2.gz	HMGNLZPMXLUNMF-MNOVXSKESA-N	-1	0	269.297	0.165	20	30		CCEDRM
C#CC[C@H](NC(=O)CCc1csc(C)n1)C(=O)[O-]	ZINC000910050129	613067918	/nfs/dbraw/zinc/06/79/18/613067918.db2.gz	FTUXEBMHRBHAPC-JTQLQIEISA-N	-1	0	266.322	0.977	20	30		CCEDRM
C#CC[C@H](NC(=O)[C@@H](C)OCCOCC)C(=O)[O-]	ZINC000910053404	613068578	/nfs/dbraw/zinc/06/85/78/613068578.db2.gz	SXZZYXXULCUQDV-ZJUUUORDSA-N	-1	0	257.286	0.021	20	30		CCEDRM
C#CC[C@H](NC(=O)[C@@H]1C[C@H]1c1cccnc1)C(=O)[O-]	ZINC000910050819	613069071	/nfs/dbraw/zinc/06/90/71/613069071.db2.gz	OHPCTJCDHJEJNN-TUAOUCFPSA-N	-1	0	258.277	0.778	20	30		CCEDRM
C#CC[C@H](NC(=O)c1cccnc1OCCOC)C(=O)[O-]	ZINC000910051922	613070434	/nfs/dbraw/zinc/07/04/34/613070434.db2.gz	IWGBIHADQIBKMS-NSHDSACASA-N	-1	0	292.291	0.313	20	30		CCEDRM
C#CC[C@H](NC(=O)c1cnn(C)c1C(F)F)C(=O)[O-]	ZINC000910055001	613070613	/nfs/dbraw/zinc/07/06/13/613070613.db2.gz	VZSLBAHPVSYNMC-ZETCQYMHSA-N	-1	0	271.223	0.564	20	30		CCEDRM
C#CCc1c(C)[n-]n(-c2ncnc3[nH]cnc32)c1=O	ZINC000899349136	613071497	/nfs/dbraw/zinc/07/14/97/613071497.db2.gz	VPYSZQMTYRYZET-MRVPVSSYSA-N	-1	0	254.253	0.715	20	30		CCEDRM
C#CC[C@H]1CCCN(C(=O)c2cc(C(=O)[O-])nn2C)C1	ZINC000864157213	613072538	/nfs/dbraw/zinc/07/25/38/613072538.db2.gz	WXXXZGZDUSYCQN-JTQLQIEISA-N	-1	0	275.308	0.994	20	30		CCEDRM
C#C[C@@H](NC(=O)C1(C(=O)[O-])CCOCC1)C1CCOCC1	ZINC000911789068	613091597	/nfs/dbraw/zinc/09/15/97/613091597.db2.gz	FRRJOUUPFGHPMG-GFCCVEGCSA-N	-1	0	295.335	0.412	20	30		CCEDRM
C#C[C@@H](NC(=O)CCCc1nnn[n-]1)C1CCOCC1	ZINC000824694069	613091847	/nfs/dbraw/zinc/09/18/47/613091847.db2.gz	SSJPVJXZFVWOPM-LLVKDONJSA-N	-1	0	277.328	0.067	20	30		CCEDRM
C#C[C@@H](NC(=O)CCCCC(=O)[O-])[C@H]1CCCO1	ZINC000911578829	613092049	/nfs/dbraw/zinc/09/20/49/613092049.db2.gz	KZRDQODPGAVHCV-GHMZBOCLSA-N	-1	0	253.298	0.928	20	30		CCEDRM
C#CCN(CC#C)C(=O)CO[C@@H]1CCCN(C(=O)[O-])C1	ZINC000823451214	613098668	/nfs/dbraw/zinc/09/86/68/613098668.db2.gz	QIRUOJRWFFBTMU-GFCCVEGCSA-N	-1	0	278.308	0.240	20	30		CCEDRM
C#CCN(CC#C)C(=O)[C@@H]1CC12CCN(C(=O)[O-])CC2	ZINC000833787713	613098761	/nfs/dbraw/zinc/09/87/61/613098761.db2.gz	YOEXKIAFJZRSAG-LBPRGKRZSA-N	-1	0	274.320	0.862	20	30		CCEDRM
C#CCN(CC#C)C(=O)[C@H](CC(F)F)NC(=O)[O-]	ZINC000833786960	613098898	/nfs/dbraw/zinc/09/88/98/613098898.db2.gz	FHWDJSLDLYKVKE-QMMMGPOBSA-N	-1	0	258.224	0.373	20	30		CCEDRM
C#CCN(CC#CC)C(=O)NC[C@@H](C)CNC(=O)[O-]	ZINC000833787198	613099777	/nfs/dbraw/zinc/09/97/77/613099777.db2.gz	IYZVOYAFUQHUCK-LLVKDONJSA-N	-1	0	265.313	0.558	20	30		CCEDRM
C#C[C@H]1CC[C@H](NC(=O)Cn2[n-]cc3c(=O)ncnc2-3)CC1	ZINC000874863130	613107775	/nfs/dbraw/zinc/10/77/75/613107775.db2.gz	IMJUEBLZZFYWIH-XYPYZODXSA-N	-1	0	299.334	0.379	20	30		CCEDRM
C#C[C@H](CO)[N-]S(=O)(=O)c1ccc(Br)o1	ZINC000867339251	613130649	/nfs/dbraw/zinc/13/06/49/613130649.db2.gz	DQCPFLILDDVXGP-ZCFIWIBFSA-N	-1	0	294.126	0.315	20	30		CCEDRM
C#C[C@H](NC(=O)NC[C@H](C(=O)[O-])C1CCC1)[C@@H]1CCCO1	ZINC000854233803	613140961	/nfs/dbraw/zinc/14/09/61/613140961.db2.gz	MHMHRSSNUKTYEV-AVGNSLFASA-N	-1	0	294.351	0.967	20	30		CCEDRM
C#C[C@H](NC(=O)[C@H](C)CC(=O)[O-])C1CCOCC1	ZINC000911793422	613146807	/nfs/dbraw/zinc/14/68/07/613146807.db2.gz	VOYZLNXLVBGGAD-KOLCDFICSA-N	-1	0	253.298	0.642	20	30		CCEDRM
C#Cc1ccc(C(=O)N(CC(=O)[O-])C2CCOCC2)cn1	ZINC000825637006	613166574	/nfs/dbraw/zinc/16/65/74/613166574.db2.gz	ZXKYHGYICYXWMG-UHFFFAOYSA-N	-1	0	288.303	0.769	20	30		CCEDRM
C#Cc1ccc(C(=O)N2CCC(c3n[nH]c(=O)[n-]3)CC2)nc1	ZINC000843875097	613167908	/nfs/dbraw/zinc/16/79/08/613167908.db2.gz	JNLLBASAVSPYPW-UHFFFAOYSA-N	-1	0	297.318	0.906	20	30		CCEDRM
C#Cc1ccc(C(=O)N2C[C@@H](C)[C@H](C(=O)[O-])C2)nc1	ZINC000825636889	613175373	/nfs/dbraw/zinc/17/53/73/613175373.db2.gz	WLRKYTPIZAVKSK-MWLCHTKSSA-N	-1	0	258.277	0.856	20	30		CCEDRM
C#CCN1CCC[C@H]1C(=O)N[C@H](CC(=O)[O-])C(F)(F)F	ZINC000911157136	613201789	/nfs/dbraw/zinc/20/17/89/613201789.db2.gz	JFCWJIVWHGGCQB-DTWKUNHWSA-N	-1	0	292.257	0.606	20	30		CCEDRM
C#CCN1CCC[C@H]1C(=O)N[C@H](CCCC)C(=O)[O-]	ZINC000909505025	613202334	/nfs/dbraw/zinc/20/23/34/613202334.db2.gz	FAMZORJRTYFWHK-NEPJUHHUSA-N	-1	0	266.341	0.844	20	30		CCEDRM
C#CCN1CCC[C@H]1COC(=O)c1cc(C(=O)[O-])no1	ZINC000833364002	613203512	/nfs/dbraw/zinc/20/35/12/613203512.db2.gz	CMRFSNDKCKPBJL-VIFPVBQESA-N	-1	0	278.264	0.627	20	30		CCEDRM
C#Cc1cccc(NC(=O)N2CCO[C@H](C(=O)[O-])C2)c1	ZINC000043705686	613204150	/nfs/dbraw/zinc/20/41/50/613204150.db2.gz	YHLKGBWXMBOXRT-LBPRGKRZSA-N	-1	0	274.276	0.985	20	30		CCEDRM
C#CCN1CCN(C(=O)[C@@]2(C)CCN(C(=O)[O-])C2)CC1	ZINC000823451566	613207477	/nfs/dbraw/zinc/20/74/77/613207477.db2.gz	YOLICOQJQXVWKI-AWEZNQCLSA-N	-1	0	279.340	0.154	20	30		CCEDRM
C#CCN1CCN(C(=O)c2c([O-])cccc2F)CC1	ZINC000121203508	613208098	/nfs/dbraw/zinc/20/80/98/613208098.db2.gz	GXIBINZCCIPSSK-UHFFFAOYSA-N	-1	0	262.284	0.922	20	30		CCEDRM
C#CCN1CCN(Cn2nc(C(=O)[O-])c3ccccc32)CC1	ZINC000825619877	613209943	/nfs/dbraw/zinc/20/99/43/613209943.db2.gz	QPGNQQZNXJPTCE-UHFFFAOYSA-N	-1	0	298.346	0.943	20	30		CCEDRM
C#Cc1cncc(C(=O)N2CC[C@@](F)(C(=O)[O-])C2)c1	ZINC000909305623	613214802	/nfs/dbraw/zinc/21/48/02/613214802.db2.gz	URWSZDOHGZEATR-ZDUSSCGKSA-N	-1	0	262.240	0.702	20	30		CCEDRM
C=C(C)C(C)(C)C(=O)NCCC(=O)[N-]S(C)(=O)=O	ZINC000819508410	613244488	/nfs/dbraw/zinc/24/44/88/613244488.db2.gz	DBUNUZYIDYRMSQ-UHFFFAOYSA-N	-1	0	276.358	0.171	20	30		CCEDRM
C/C(=C/c1ccccn1)C(=O)[N-]S(=O)(=O)CCC#N	ZINC000847707754	613244611	/nfs/dbraw/zinc/24/46/11/613244611.db2.gz	NVBOWBHBJARWSL-KTKRTIGZSA-N	-1	0	279.321	0.845	20	30		CCEDRM
C=C(C)C(C)(C)C(=O)[N-]S(=O)(=O)c1c(C)onc1N	ZINC000820977098	613244732	/nfs/dbraw/zinc/24/47/32/613244732.db2.gz	RNYFUQJAQQZFBK-UHFFFAOYSA-N	-1	0	287.341	0.972	20	30		CCEDRM
C=C(C)CCNC(=O)N[C@@](C)(Cn1cccn1)C(=O)[O-]	ZINC000900291999	613281930	/nfs/dbraw/zinc/28/19/30/613281930.db2.gz	NJNTWCXNQOHEHM-ZDUSSCGKSA-N	-1	0	280.328	0.992	20	30		CCEDRM
C=C(C)CN(C)C(=O)CCCn1c(=O)[n-][nH]c1=O	ZINC000907245193	613282126	/nfs/dbraw/zinc/28/21/26/613282126.db2.gz	XXYYTJXCSJKPDS-UHFFFAOYSA-N	-1	0	254.290	0.504	20	30		CCEDRM
C=C(C)CN(CC)C(=O)CN(CC#N)CC(=O)[O-]	ZINC000825641970	613293015	/nfs/dbraw/zinc/29/30/15/613293015.db2.gz	BTWVNCYSKIBTRH-UHFFFAOYSA-N	-1	0	253.302	0.321	20	30		CCEDRM
C#CCn1[n-]c2c(c1=O)CN(Cc1ccccc1)C2=O	ZINC000871961482	613322342	/nfs/dbraw/zinc/32/23/42/613322342.db2.gz	QMAUQPMWUMBIOJ-LBPRGKRZSA-N	-1	0	267.288	0.476	20	30		CCEDRM
C=C(C)COCCNC(=O)N1CC[C@H](NC(=O)[O-])C1	ZINC000823480495	613351910	/nfs/dbraw/zinc/35/19/10/613351910.db2.gz	DUFWNHDYNUILKB-JTQLQIEISA-N	-1	0	271.317	0.631	20	30		CCEDRM
C=C(C)COCCNC(=O)N1CC[C@@H](N(C)C(=O)[O-])C1	ZINC000823480363	613351991	/nfs/dbraw/zinc/35/19/91/613351991.db2.gz	ADLBGBRGXJDCJO-LLVKDONJSA-N	-1	0	285.344	0.973	20	30		CCEDRM
C=C(C)COCCNC(=O)[C@H]1CN(C(=O)[O-])CCO1	ZINC000823480391	613352181	/nfs/dbraw/zinc/35/21/81/613352181.db2.gz	ARCZUKNETWVXHX-SNVBAGLBSA-N	-1	0	272.301	0.074	20	30		CCEDRM
C=C(C)CO[N-]C(=O)C(C)(C)S(=O)(=O)C1CC1	ZINC000846533741	613352333	/nfs/dbraw/zinc/35/23/33/613352333.db2.gz	MISYUVANDXUWHU-UHFFFAOYSA-N	-1	0	261.343	0.966	20	30		CCEDRM
C=C(C)CO[N-]C(=O)C(=O)Nc1cc(C)nnc1N(C)C	ZINC000850477328	613352377	/nfs/dbraw/zinc/35/23/77/613352377.db2.gz	VPSVWQLUQUENDU-UHFFFAOYSA-N	-1	0	293.327	0.413	20	30		CCEDRM
C=C(C)CO[N-]C(=O)C(=O)Nc1c(C)ccn(C)c1=O	ZINC000846147366	613352422	/nfs/dbraw/zinc/35/24/22/613352422.db2.gz	WTGMAKRZCCTPDI-UHFFFAOYSA-N	-1	0	279.296	0.256	20	30		CCEDRM
C=C(C)CO[N-]C(=O)[C@H](CCSC)NC(N)=O	ZINC000862133413	613353801	/nfs/dbraw/zinc/35/38/01/613353801.db2.gz	ZOGDPEGEWBAKRW-QMMMGPOBSA-N	-1	0	261.347	0.400	20	30		CCEDRM
C=C(C)CO[N-]C(=O)[C@@](C)(O)Cn1c(C)cccc1=O	ZINC000846534769	613353807	/nfs/dbraw/zinc/35/38/07/613353807.db2.gz	AXKCBRPKWDEKKU-AWEZNQCLSA-N	-1	0	280.324	0.532	20	30		CCEDRM
C=C(C)CO[N-]C(=O)[C@@H]1COCCN1CC(F)(F)F	ZINC000846534271	613353873	/nfs/dbraw/zinc/35/38/73/613353873.db2.gz	XWPKVBWLOOLKRL-VIFPVBQESA-N	-1	0	282.262	0.873	20	30		CCEDRM
C=C(C)CS(=O)(=O)N[C@@H](CSC)C(=O)OCC	ZINC000921378463	613354269	/nfs/dbraw/zinc/35/42/69/613354269.db2.gz	YJGYHQNEUVZHDR-VIFPVBQESA-N	-1	0	281.399	0.777	20	30		CCEDRM
C=C(C)C[C@@H](NC(=O)NCc1ccnn1C)C(=O)[O-]	ZINC000908837875	613355844	/nfs/dbraw/zinc/35/58/44/613355844.db2.gz	DKBSDVSOBSPJJB-SNVBAGLBSA-N	-1	0	266.301	0.639	20	30		CCEDRM
C=C(C)[C@@H](CC(=O)N1CCOC[C@H]1C(=O)[O-])OCC	ZINC000833367746	613360200	/nfs/dbraw/zinc/36/02/00/613360200.db2.gz	SUBMHRXMLJGSDN-WDEREUQCSA-N	-1	0	271.313	0.670	20	30		CCEDRM
C=C(C)[C@@H](CC(=O)[N-]S(=O)(=O)CCC#N)OCC	ZINC000835410144	613360250	/nfs/dbraw/zinc/36/02/50/613360250.db2.gz	FCZDLPDHXGCNGN-SNVBAGLBSA-N	-1	0	274.342	0.717	20	30		CCEDRM
C=C(COC(=O)c1cc(=O)[n-]c(OC)n1)C(=O)OCC	ZINC000770517371	613367506	/nfs/dbraw/zinc/36/75/06/613367506.db2.gz	ZOIBRZNJJYZSKX-UHFFFAOYSA-N	-1	0	282.252	0.467	20	30		CCEDRM
C=C(Cl)C[C@@H](NC(=O)Cc1c[nH]cn1)C(=O)[O-]	ZINC000910264362	613388531	/nfs/dbraw/zinc/38/85/31/613388531.db2.gz	CDLILVBCVOHDRO-MRVPVSSYSA-N	-1	0	257.677	0.664	20	30		CCEDRM
C=C(Cl)C[C@@H](NC(=O)NOCCOC)C(=O)[O-]	ZINC000909251970	613388581	/nfs/dbraw/zinc/38/85/81/613388581.db2.gz	ORDPKKZICXHIJX-SSDOTTSWSA-N	-1	0	266.681	0.459	20	30		CCEDRM
C=C(Cl)C[C@@H](NC(=O)c1cn(C)cn1)C(=O)[O-]	ZINC000864189882	613388726	/nfs/dbraw/zinc/38/87/26/613388726.db2.gz	VWXUFKPRERNLAA-SSDOTTSWSA-N	-1	0	257.677	0.746	20	30		CCEDRM
C=C(Cl)C[C@H](NC(=O)COCC(F)F)C(=O)[O-]	ZINC000864186293	613390611	/nfs/dbraw/zinc/39/06/11/613390611.db2.gz	MIWMOBYDOPHVST-LURJTMIESA-N	-1	0	271.647	0.980	20	30		CCEDRM
C=C(Cl)C[C@H](NC(=O)c1nn(CC)nc1C)C(=O)[O-]	ZINC000910272843	613390848	/nfs/dbraw/zinc/39/08/48/613390848.db2.gz	XAJVTCJUOUIPED-QMMMGPOBSA-N	-1	0	286.719	0.932	20	30		CCEDRM
C=CC[C@@H](C)NC(=O)C[C@H]1CN(C(=O)[O-])CCO1	ZINC000823490522	613399835	/nfs/dbraw/zinc/39/98/35/613399835.db2.gz	FKXDYIZVDNLVFG-ZJUUUORDSA-N	-1	0	256.302	0.836	20	30		CCEDRM
C=CC[C@@H](CO)CNC(=O)c1cnc(C(=O)[O-])cn1	ZINC000833371818	613403144	/nfs/dbraw/zinc/40/31/44/613403144.db2.gz	WZWJYHUQDGEMGQ-MRVPVSSYSA-N	-1	0	265.269	0.089	20	30		CCEDRM
C=CC[C@@H](CO)[N-]S(=O)(=O)N=[S@](C)(=O)C(C)(C)C	ZINC000872472842	613405140	/nfs/dbraw/zinc/40/51/40/613405140.db2.gz	VABVCAKKVCZRRE-HUTHGQBESA-N	-1	0	298.430	0.654	20	30		CCEDRM
C=CC[C@H](CO)CNC(=O)c1ccc(C(=O)[O-])nc1	ZINC000833371872	613415715	/nfs/dbraw/zinc/41/57/15/613415715.db2.gz	YVARQQZNBWGNEH-VIFPVBQESA-N	-1	0	264.281	0.694	20	30		CCEDRM
C=CCn1c(Sc2c(C)[n-][nH]c2=O)n[nH]c1=O	ZINC000917217780	613424476	/nfs/dbraw/zinc/42/44/76/613424476.db2.gz	OQHRXUNVHYQEGQ-ZCFIWIBFSA-N	-1	0	253.287	0.136	20	30		CCEDRM
C=CCn1cc(CNc2cc(C(=O)[O-])ncn2)nn1	ZINC000871595124	613435888	/nfs/dbraw/zinc/43/58/88/613435888.db2.gz	KUQSIQZNPYMVOT-UHFFFAOYSA-N	-1	0	260.257	0.564	20	30		CCEDRM
C=CCn1nnn(CN(C)[C@H]2CCN(C(=O)[O-])C2)c1=S	ZINC000823522161	613439301	/nfs/dbraw/zinc/43/93/01/613439301.db2.gz	UQQCSXOGWGWFNA-VIFPVBQESA-N	-1	0	298.372	0.637	20	30		CCEDRM
C=C[C@@H](C)NS(=O)(=O)c1cccc(-c2nn[nH]n2)c1	ZINC000819730311	613442815	/nfs/dbraw/zinc/44/28/15/613442815.db2.gz	VODOFMLXMKGFCD-MRVPVSSYSA-N	-1	0	279.325	0.720	20	30		CCEDRM
C=CC(C)(C)CC(=O)N1CCC(O)(c2nnn[n-]2)CC1	ZINC000907944220	613445171	/nfs/dbraw/zinc/44/51/71/613445171.db2.gz	QBYLYCXNUABTRJ-UHFFFAOYSA-N	-1	0	279.344	0.612	20	30		CCEDRM
C=CC1(S(=O)(=O)[N-]C(=O)CC(C)(C)OC)CC1	ZINC000870836708	613450425	/nfs/dbraw/zinc/45/04/25/613450425.db2.gz	MEFLBJZHYMQNPR-UHFFFAOYSA-N	-1	0	261.343	0.966	20	30		CCEDRM
C=CC1(S(=O)(=O)[N-]C(=O)CCN2CCCC2=O)CC1	ZINC000870833176	613450449	/nfs/dbraw/zinc/45/04/49/613450449.db2.gz	YDAJKSAYPZMDNZ-UHFFFAOYSA-N	-1	0	286.353	0.164	20	30		CCEDRM
C=C[C@@H](O)C(=O)N1C[C@@H](c2ccccc2)[C@H](C(=O)[O-])C1	ZINC000909625020	613451315	/nfs/dbraw/zinc/45/13/15/613451315.db2.gz	WNDOLFPYIINXMS-YNEHKIRRSA-N	-1	0	275.304	0.860	20	30		CCEDRM
C=CC1(S(=O)(=O)[N-]C(=O)[C@H](OC)C2CC2)CC1	ZINC000870836852	613451503	/nfs/dbraw/zinc/45/15/03/613451503.db2.gz	OYBGSBVZNCHZQQ-SECBINFHSA-N	-1	0	259.327	0.576	20	30		CCEDRM
C=CC1(S(=O)(=O)[N-]C(=O)[C@H]2CCCN2C(C)=O)CC1	ZINC000870839405	613451637	/nfs/dbraw/zinc/45/16/37/613451637.db2.gz	KKTBBUGVRVBVCT-SNVBAGLBSA-N	-1	0	286.353	0.162	20	30		CCEDRM
C=C[C@@H](O)C(=O)NCCc1ncc(C(=O)[O-])s1	ZINC000910998999	613451662	/nfs/dbraw/zinc/45/16/62/613451662.db2.gz	AHNYOAVJLHLWMK-ZCFIWIBFSA-N	-1	0	256.283	0.047	20	30		CCEDRM
C=CC1(S(=O)(=O)[N-]C(=O)c2ncn(C(C)(C)C)n2)CC1	ZINC000870838342	613452252	/nfs/dbraw/zinc/45/22/52/613452252.db2.gz	VFXKWTNJVSXDSV-UHFFFAOYSA-N	-1	0	298.368	0.811	20	30		CCEDRM
C=CC1(S(=O)(=O)[N-]C(=O)c2cnn(C)c2C)CC1	ZINC000870831300	613452334	/nfs/dbraw/zinc/45/23/34/613452334.db2.gz	VLHABERRWOWVHM-UHFFFAOYSA-N	-1	0	269.326	0.507	20	30		CCEDRM
C=CCC(F)(F)C(=O)[N-]S(=O)(=O)N(C)CC	ZINC000815963212	613455173	/nfs/dbraw/zinc/45/51/73/613455173.db2.gz	SMRAJSZQUGIDDA-UHFFFAOYSA-N	-1	0	256.274	0.511	20	30		CCEDRM
C=CCC1(C(=O)[O-])CN(S(=O)(=O)N2CCC[C@H]2C)C1	ZINC000906007027	613456892	/nfs/dbraw/zinc/45/68/92/613456892.db2.gz	QSZSQPMUPOKYKE-SNVBAGLBSA-N	-1	0	288.369	0.678	20	30		CCEDRM
C=CCC1(C(=O)[O-])CN(S(=O)(=O)c2ccco2)C1	ZINC000906006616	613456980	/nfs/dbraw/zinc/45/69/80/613456980.db2.gz	BOBPDYAKXIAILL-UHFFFAOYSA-N	-1	0	271.294	0.931	20	30		CCEDRM
C=CCC1(S(=O)(=O)[N-]C(=O)CCc2ccnn2C)CC1	ZINC000810986103	613460686	/nfs/dbraw/zinc/46/06/86/613460686.db2.gz	OPCFDIDMVMOSSA-UHFFFAOYSA-N	-1	0	297.380	0.907	20	30		CCEDRM
C=CCCC(=O)[N-]S(=O)(=O)Cc1cccnc1	ZINC000753946536	613462384	/nfs/dbraw/zinc/46/23/84/613462384.db2.gz	JEOIXUNYRKMXBU-UHFFFAOYSA-N	-1	0	254.311	0.994	20	30		CCEDRM
C=CCCC(=O)[N-]S(=O)(=O)N(C)CCC(=O)OCC	ZINC000893420987	613462636	/nfs/dbraw/zinc/46/26/36/613462636.db2.gz	DBMHKZJOZZINNB-UHFFFAOYSA-N	-1	0	292.357	0.199	20	30		CCEDRM
C=CCCC[C@@H](NC(=O)Cc1ccn(C)n1)C(=O)[O-]	ZINC000910916125	613470410	/nfs/dbraw/zinc/47/04/10/613470410.db2.gz	DXHRACPDNSIOQS-LLVKDONJSA-N	-1	0	265.313	0.888	20	30		CCEDRM
C=CCCC[C@H](N)C(=O)[N-]S(=O)(=O)[C@@H]1CCCOC1	ZINC000901038402	613472735	/nfs/dbraw/zinc/47/27/35/613472735.db2.gz	FDAVNSNJJNDGHW-MNOVXSKESA-N	-1	0	290.385	0.295	20	30		CCEDRM
C=CCCC[C@H](NC(=O)[C@@](C)(O)COC)C(=O)[O-]	ZINC000910917652	613473583	/nfs/dbraw/zinc/47/35/83/613473583.db2.gz	SWCTWIHKBRBNAJ-CABZTGNLSA-N	-1	0	259.302	0.310	20	30		CCEDRM
C=CCCC[C@H](NC(=O)c1cnc2n1CCOC2)C(=O)[O-]	ZINC000910925668	613474772	/nfs/dbraw/zinc/47/47/72/613474772.db2.gz	NFRXAKJRMCOFJU-JTQLQIEISA-N	-1	0	293.323	0.953	20	30		CCEDRM
C=C[C@@](C)(CCOC)C(=O)N1CCC(O)(C(=O)[O-])CC1	ZINC000909285193	613476390	/nfs/dbraw/zinc/47/63/90/613476390.db2.gz	XDAHSLFIKSOBRO-ZDUSSCGKSA-N	-1	0	285.340	0.653	20	30		CCEDRM
C=C[C@@](C)(CCOC)C(=O)N[C@@H](CCOC)C(=O)[O-]	ZINC000909625149	613476996	/nfs/dbraw/zinc/47/69/96/613476996.db2.gz	LREUNTMXWKKORP-GWCFXTLKSA-N	-1	0	273.329	0.821	20	30		CCEDRM
C=C[C@@](C)(O)C(=O)N[C@@H](CC(=O)[O-])C(F)(F)F	ZINC000911157692	613478978	/nfs/dbraw/zinc/47/89/78/613478978.db2.gz	KXTBNKGCERARPA-YLWLKBPMSA-N	-1	0	255.192	0.445	20	30		CCEDRM
C=C[C@H](C)O[N-]C(=O)C(=O)Nc1cnn(C)c1C	ZINC000846154578	613483699	/nfs/dbraw/zinc/48/36/99/613483699.db2.gz	OBHYXLOFJJEWCO-ZETCQYMHSA-N	-1	0	252.274	0.289	20	30		CCEDRM
C=C[C@H](C)O[N-]C(=O)C(=O)c1c(C)nn(C)c1C	ZINC000846544919	613483735	/nfs/dbraw/zinc/48/37/35/613483735.db2.gz	ZMIJFDLTUUPGNT-ZETCQYMHSA-N	-1	0	251.286	0.842	20	30		CCEDRM
C=C[C@H](C)O[N-]C(=O)C(=O)Nc1cc(C)n(C)n1	ZINC000846153896	613483762	/nfs/dbraw/zinc/48/37/62/613483762.db2.gz	MKFDDXHUJZQWAP-QMMMGPOBSA-N	-1	0	252.274	0.289	20	30		CCEDRM
C=C[C@H](C)O[N-]C(=O)[C@@H](O)[C@@H](O)c1nc2ccccc2[nH]1	ZINC000846551135	613488313	/nfs/dbraw/zinc/48/83/13/613488313.db2.gz	XCZDDQFEYYEQER-AXTRIDKLSA-N	-1	0	291.307	0.580	20	30		CCEDRM
C=C[C@H](O)C(=O)N[C@@H](C)c1nc(C)c(C(=O)[O-])s1	ZINC000909502811	613496797	/nfs/dbraw/zinc/49/67/97/613496797.db2.gz	GGVCZSNFWIHGLC-BQBZGAKWSA-N	-1	0	270.310	0.874	20	30		CCEDRM
C=C[C@](C)(O)C(=O)NC[C@H](Cc1ccccc1)C(=O)[O-]	ZINC000909182883	613507758	/nfs/dbraw/zinc/50/77/58/613507758.db2.gz	OOPMALKHPDKHFU-WFASDCNBSA-N	-1	0	277.320	0.983	20	30		CCEDRM
C=C[C@](C)(O)C(=O)N[C@H](Cc1ccncc1)C(=O)[O-]	ZINC000911573514	613508694	/nfs/dbraw/zinc/50/86/94/613508694.db2.gz	KQFJQEPJOCHXLA-MFKMUULPSA-N	-1	0	264.281	0.131	20	30		CCEDRM
C=CCCOCC(=O)N1CC(F)(F)C[C@H]1C(=O)[O-]	ZINC000910423917	613571007	/nfs/dbraw/zinc/57/10/07/613571007.db2.gz	FRMCTJWXAJRXGH-QMMMGPOBSA-N	-1	0	263.240	0.900	20	30		CCEDRM
C=CCCOCC(=O)N[C@@H](CC(F)F)C(=O)[O-]	ZINC000833374284	613572688	/nfs/dbraw/zinc/57/26/88/613572688.db2.gz	XAOFCGATPHGYIU-ZETCQYMHSA-N	-1	0	251.229	0.804	20	30		CCEDRM
C=CCCOCC(=O)N[C@@H](CC1CCOCC1)C(=O)[O-]	ZINC000910465213	613572781	/nfs/dbraw/zinc/57/27/81/613572781.db2.gz	ISOKXNXVZZOMSL-LBPRGKRZSA-N	-1	0	285.340	0.965	20	30		CCEDRM
C=CCCO[N-]C(=O)[C@@H](C)N1C(=O)NC2(CCCC2)C1=O	ZINC000856031324	613576727	/nfs/dbraw/zinc/57/67/27/613576727.db2.gz	LHHHAPZIKLOTJM-SNVBAGLBSA-N	-1	0	295.339	0.863	20	30		CCEDRM
C=CCCO[N-]C(=O)CNC(=O)NCc1ccco1	ZINC000856030811	613576729	/nfs/dbraw/zinc/57/67/29/613576729.db2.gz	RVBMPJWGJUIRFV-UHFFFAOYSA-N	-1	0	267.285	0.703	20	30		CCEDRM
C=CCCO[N-]C(=O)CNC(=O)c1ccoc1C	ZINC000856033746	613576814	/nfs/dbraw/zinc/57/68/14/613576814.db2.gz	PMSTZJPVGZTSKJ-UHFFFAOYSA-N	-1	0	252.270	0.942	20	30		CCEDRM
C=CCCO[N-]C(=O)[C@](C)(O)Cn1ccc(C)cc1=O	ZINC000856034467	613577273	/nfs/dbraw/zinc/57/72/73/613577273.db2.gz	HJAZIYZXJZAJSW-CQSZACIVSA-N	-1	0	280.324	0.532	20	30		CCEDRM
C=CCCO[N-]C(=O)c1c(C)c(C)nn(C)c1=O	ZINC000856034366	613577299	/nfs/dbraw/zinc/57/72/99/613577299.db2.gz	LYASRSPVPMJJMI-UHFFFAOYSA-N	-1	0	251.286	0.635	20	30		CCEDRM
C=CCCS(=O)(=O)N1C[C@@H](C)N(C(=O)[O-])[C@H](C)C1	ZINC000823500970	613581280	/nfs/dbraw/zinc/58/12/80/613581280.db2.gz	OGAKFTCIUXAZSR-NXEZZACHSA-N	-1	0	276.358	0.965	20	30		CCEDRM
C=CCC[C@@H](NC(=O)c1cc2n(n1)CCO2)C(=O)[O-]	ZINC000909714448	613584803	/nfs/dbraw/zinc/58/48/03/613584803.db2.gz	WYNAGWMLZAULKH-MRVPVSSYSA-N	-1	0	265.269	0.425	20	30		CCEDRM
C=CCC[C@@H](NC(=O)NCCC(C)(C)O)C(=O)[O-]	ZINC000909066864	613584991	/nfs/dbraw/zinc/58/49/91/613584991.db2.gz	FQEMGLUKZHISKJ-SECBINFHSA-N	-1	0	258.318	0.866	20	30		CCEDRM
C=CCC[C@@H](NS(=O)(=O)CC(C)(C)OC)C(=O)[O-]	ZINC000844783961	613585928	/nfs/dbraw/zinc/58/59/28/613585928.db2.gz	BMTHEWYNWCSYFP-SECBINFHSA-N	-1	0	279.358	0.750	20	30		CCEDRM
C=CCC[C@H](CO)NC(=O)C(C)(C)[N-]C(=O)C(F)(F)F	ZINC000837080321	613587993	/nfs/dbraw/zinc/58/79/93/613587993.db2.gz	AZDQLTMEEJZCKH-MRVPVSSYSA-N	-1	0	296.289	0.887	20	30		CCEDRM
C=CCC[C@H](NC(=O)C1(N2CCOCC2)CCC1)C(=O)[O-]	ZINC000909714157	613589515	/nfs/dbraw/zinc/58/95/15/613589515.db2.gz	UJAXEOXHYKJQOJ-LBPRGKRZSA-N	-1	0	296.367	0.777	20	30		CCEDRM
C=CCC[C@H](NC(=O)c1cnc(N(C)C)cn1)C(=O)[O-]	ZINC000909715663	613590595	/nfs/dbraw/zinc/59/05/95/613590595.db2.gz	NMAJRSSQQXEGTI-VIFPVBQESA-N	-1	0	278.312	0.692	20	30		CCEDRM
C=CCN(CC(=O)[O-])C(=O)CCCCc1cn[nH]n1	ZINC000909514933	613641799	/nfs/dbraw/zinc/64/17/99/613641799.db2.gz	DMJGCEFDOZSZNN-UHFFFAOYSA-N	-1	0	266.301	0.617	20	30		CCEDRM
C=CCN(C/C=C(\C)C(=O)[O-])[C@@H]1CCS(=O)(=O)C1	ZINC000825682148	613641830	/nfs/dbraw/zinc/64/18/30/613641830.db2.gz	PNERCWFRRHJYKJ-LLMHMKPQSA-N	-1	0	273.354	0.692	20	30		CCEDRM
C=CCN(CC(=O)[O-])C(=O)Cc1ccc(OC)cn1	ZINC000909517078	613642517	/nfs/dbraw/zinc/64/25/17/613642517.db2.gz	ZOOVQUIQEHCYDU-UHFFFAOYSA-N	-1	0	264.281	0.732	20	30		CCEDRM
C=CCN(CC(=O)[O-])C(=O)NCC[C@@]1(O)CCCOC1	ZINC000909151818	613642717	/nfs/dbraw/zinc/64/27/17/613642717.db2.gz	ZKSWLPXEZGWSMJ-ZDUSSCGKSA-N	-1	0	286.328	0.200	20	30		CCEDRM
C=CCN(CC(=O)[O-])C(=O)NCc1cnc(N(C)C)n1C	ZINC000908960264	613642780	/nfs/dbraw/zinc/64/27/80/613642780.db2.gz	AVGOUVGUHQDZNV-UHFFFAOYSA-N	-1	0	295.343	0.268	20	30		CCEDRM
C=CCN(CC(=O)[O-])C(=O)[C@@H]1CCn2ccnc2C1	ZINC000909514221	613643355	/nfs/dbraw/zinc/64/33/55/613643355.db2.gz	DGFNCTNFGAPLEP-SNVBAGLBSA-N	-1	0	263.297	0.545	20	30		CCEDRM
C=CCN(CC(=O)[O-])C(=O)c1cc(C)[nH]c(=O)c1	ZINC000909514472	613643653	/nfs/dbraw/zinc/64/36/53/613643653.db2.gz	IQVWJNUOFCMQPL-UHFFFAOYSA-N	-1	0	250.254	0.808	20	30		CCEDRM
C=CCN(CC(=O)[O-])C(=O)c1cn(C)nc1COC	ZINC000909516665	613643805	/nfs/dbraw/zinc/64/38/05/613643805.db2.gz	MJTGFWTXVOMSRA-UHFFFAOYSA-N	-1	0	267.285	0.279	20	30		CCEDRM
C=CCN(CC(=O)[O-])C(=O)c1nn(CC)nc1C	ZINC000909514417	613643843	/nfs/dbraw/zinc/64/38/43/613643843.db2.gz	HHRXOGNQXWPCOB-UHFFFAOYSA-N	-1	0	252.274	0.319	20	30		CCEDRM
C=CCN(CC(=O)OCC)C(=O)C1CCN(C(=O)[O-])CC1	ZINC000833788294	613644473	/nfs/dbraw/zinc/64/44/73/613644473.db2.gz	UFHUSPWOJPLMHF-UHFFFAOYSA-N	-1	0	298.339	0.954	20	30		CCEDRM
CC#CCS(=O)(=O)[N-]C(=O)/C=C/c1ccco1	ZINC000810772886	613645573	/nfs/dbraw/zinc/64/55/73/613645573.db2.gz	JECFDJGJRJYVBV-VOTSOKGWSA-N	-1	0	253.279	0.762	20	30		CCEDRM
CC#CCS(=O)(=O)[N-]C(=O)[C@@H](CC(C)C)OC	ZINC000842345646	613646306	/nfs/dbraw/zinc/64/63/06/613646306.db2.gz	IALQLLNCNQXFLZ-SNVBAGLBSA-N	-1	0	261.343	0.517	20	30		CCEDRM
C=CCN(CC=C)C(=O)CN[C@@]1(C(=O)[O-])CCOC1	ZINC000833375015	613647294	/nfs/dbraw/zinc/64/72/94/613647294.db2.gz	DNULCZMPKWRFNI-ZDUSSCGKSA-N	-1	0	268.313	0.020	20	30		CCEDRM
CC#CCS(=O)(=O)[N-]C(=O)c1cc(OC)ccn1	ZINC000842781104	613647618	/nfs/dbraw/zinc/64/76/18/613647618.db2.gz	ZAHSXBPZTSIEAF-UHFFFAOYSA-N	-1	0	268.294	0.173	20	30		CCEDRM
CC(N=NC1=NCC(=O)N1)[C@@H](C)CCCCC(=O)[O-]	ZINC000863177657	613653906	/nfs/dbraw/zinc/65/39/06/613653906.db2.gz	SSOJNRLDMHCVLJ-QMMMGPOBSA-N	-1	0	268.317	0.719	20	30		CCEDRM
C=CCNC(=O)C(C#N)=C([O-])c1ccc(-n2cnnc2)cc1	ZINC000105757666	613852919	/nfs/dbraw/zinc/85/29/19/613852919.db2.gz	SXABTIPQXOVJDO-ZDUSSCGKSA-N	-1	0	295.302	0.892	20	30		CCEDRM
C=CCNC(=O)C(C#N)=C([O-])c1cnn2cccnc12	ZINC000916918325	613854894	/nfs/dbraw/zinc/85/48/94/613854894.db2.gz	RLHVTPMSWARMJF-SECBINFHSA-N	-1	0	269.264	0.354	20	30		CCEDRM
C=CCNC(=O)[C@H](C)OC(=O)CC1(NC(=O)[O-])CCC1	ZINC000823507090	613855481	/nfs/dbraw/zinc/85/54/81/613855481.db2.gz	RVIGRLWTEBRZLF-VIFPVBQESA-N	-1	0	284.312	0.801	20	30		CCEDRM
C=CCNC(=O)[C@H](C)OC(=O)[C@H]1CCCCN1C(=O)[O-]	ZINC000823507444	613855876	/nfs/dbraw/zinc/85/58/76/613855876.db2.gz	XVTZHPUCJBILJO-VHSXEESVSA-N	-1	0	284.312	0.753	20	30		CCEDRM
C=CCNC(=O)c1ccc(N2CCO[C@@H](C(=O)[O-])C2)nc1	ZINC000817685872	613856172	/nfs/dbraw/zinc/85/61/72/613856172.db2.gz	RHARSIKXMXSXDR-LLVKDONJSA-N	-1	0	291.307	0.287	20	30		CCEDRM
C=CCOCC(=O)N1CC[C@H](C(=O)OC)C[C@H]1C(=O)[O-]	ZINC000833376235	613879235	/nfs/dbraw/zinc/87/92/35/613879235.db2.gz	ZFSRZNROUDXQPN-UWVGGRQHSA-N	-1	0	285.296	0.054	20	30		CCEDRM
C=CCOCC(=O)N[C@@H](c1nc(=O)o[n-]1)C(C)(C)C	ZINC000911587976	613879407	/nfs/dbraw/zinc/87/94/07/613879407.db2.gz	XYIPWTVNDWUHCA-VIFPVBQESA-N	-1	0	269.301	0.769	20	30		CCEDRM
C=CCOCCCNS(=O)(=O)N=S(=O)(CC)CC	ZINC000867516097	613880343	/nfs/dbraw/zinc/88/03/43/613880343.db2.gz	VBXJTZWIJHVPSJ-UHFFFAOYSA-N	-1	0	298.430	0.921	20	30		CCEDRM
C=CCOC[C@@H](NC(=O)C1(c2cccnc2)CC1)C(=O)[O-]	ZINC000909770368	613881572	/nfs/dbraw/zinc/88/15/72/613881572.db2.gz	FZGCIDWNWKQWGV-GFCCVEGCSA-N	-1	0	290.319	0.885	20	30		CCEDRM
C=CCOC[C@@H](NC(=O)CCc1cccnc1)C(=O)[O-]	ZINC000909771558	613881599	/nfs/dbraw/zinc/88/15/99/613881599.db2.gz	RDAPVMNOFMAVOA-GFCCVEGCSA-N	-1	0	278.308	0.786	20	30		CCEDRM
C=CCOC[C@@H](NC(=O)C[C@@H]1CC(C)(C)CO1)C(=O)[O-]	ZINC000909765872	613881656	/nfs/dbraw/zinc/88/16/56/613881656.db2.gz	GRCNSPLDADUJTD-GHMZBOCLSA-N	-1	0	285.340	0.964	20	30		CCEDRM
C=CCOC[C@@H](NC(=O)NCc1ccon1)C(=O)[O-]	ZINC000797725392	613881680	/nfs/dbraw/zinc/88/16/80/613881680.db2.gz	ULWLTVVHPFRMJJ-SECBINFHSA-N	-1	0	269.257	0.130	20	30		CCEDRM
C=CCOC[C@@H](NC(=O)[C@H](O)C(C)(C)CC)C(=O)[O-]	ZINC000909771464	613881762	/nfs/dbraw/zinc/88/17/62/613881762.db2.gz	NIHZTAOXGHPURV-ZJUUUORDSA-N	-1	0	273.329	0.556	20	30		CCEDRM
C=CCOC[C@@H](NC(=O)[C@@H](O)C(C)(C)CC)C(=O)[O-]	ZINC000909771459	613881825	/nfs/dbraw/zinc/88/18/25/613881825.db2.gz	NIHZTAOXGHPURV-NXEZZACHSA-N	-1	0	273.329	0.556	20	30		CCEDRM
C=CCOC[C@H](NC(=O)C1(n2cccn2)CC1)C(=O)[O-]	ZINC000907669815	613882219	/nfs/dbraw/zinc/88/22/19/613882219.db2.gz	STCPDVLFGLWLGT-JTQLQIEISA-N	-1	0	279.296	0.144	20	30		CCEDRM
C=CCOC[C@H](NC(=O)Cc1ccco1)C(=O)[O-]	ZINC000909772569	613882320	/nfs/dbraw/zinc/88/23/20/613882320.db2.gz	SCDNSTUCVHULPF-JTQLQIEISA-N	-1	0	253.254	0.594	20	30		CCEDRM
C=CCOC[C@H](NC(=O)Cc1ccncc1C)C(=O)[O-]	ZINC000909765842	613882321	/nfs/dbraw/zinc/88/23/21/613882321.db2.gz	GDBJKODVTNQTHR-LBPRGKRZSA-N	-1	0	278.308	0.705	20	30		CCEDRM
C=CCOC[C@H](NC(=O)Cc1cc(CC)nn1C)C(=O)[O-]	ZINC000909766650	613882365	/nfs/dbraw/zinc/88/23/65/613882365.db2.gz	JQUSMNXZFXMHIQ-LBPRGKRZSA-N	-1	0	295.339	0.297	20	30		CCEDRM
C=CCOC[C@H](NC(=O)[C@H](C)[C@@H](C)COC)C(=O)[O-]	ZINC000909765626	613882578	/nfs/dbraw/zinc/88/25/78/613882578.db2.gz	COMYWYKUOWJGTD-AXFHLTTASA-N	-1	0	273.329	0.677	20	30		CCEDRM
C=CCOC[C@H](NC(=O)[C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@H]12)C(=O)[O-]	ZINC000907669002	613882586	/nfs/dbraw/zinc/88/25/86/613882586.db2.gz	GUULRMCCDGRYLO-NAFSEIKSSA-N	-1	0	281.308	0.182	20	30		CCEDRM
C=CCO[N-]C(=O)C(C)(C)n1cc([N+](=O)[O-])cn1	ZINC000837045883	613883002	/nfs/dbraw/zinc/88/30/02/613883002.db2.gz	ANHDIUFRENDTGO-UHFFFAOYSA-N	-1	0	254.246	0.760	20	30		CCEDRM
C=CCO[N-]C(=O)CSc1nnnn1C1CC1	ZINC000837044074	613883116	/nfs/dbraw/zinc/88/31/16/613883116.db2.gz	WAEQYEOXOFOSCG-UHFFFAOYSA-N	-1	0	255.303	0.334	20	30		CCEDRM
C=CCO[N-]C(=O)CSc1nnc(CCC)n1N	ZINC000837049718	613883166	/nfs/dbraw/zinc/88/31/66/613883166.db2.gz	OUQILHWGIVWZCB-UHFFFAOYSA-N	-1	0	271.346	0.270	20	30		CCEDRM
C=CCO[N-]C(=O)[C@H]1CS(=O)(=O)C[C@@H]1C(F)(F)F	ZINC000823421054	613884559	/nfs/dbraw/zinc/88/45/59/613884559.db2.gz	KCZMHEOWPYJKPE-BQBZGAKWSA-N	-1	0	287.259	0.443	20	30		CCEDRM
C=CCS(=O)(=O)[N-]C(=O)C[C@@H](C)n1ccnc1	ZINC000845498653	613886081	/nfs/dbraw/zinc/88/60/81/613886081.db2.gz	IJKRIOVSZSGRFO-SECBINFHSA-N	-1	0	257.315	0.466	20	30		CCEDRM
C=CCS(=O)(=O)[N-]C(=O)C1CCN(CC(F)F)CC1	ZINC000805901884	613886102	/nfs/dbraw/zinc/88/61/02/613886102.db2.gz	ASWBUPBOBKPQIN-UHFFFAOYSA-N	-1	0	296.339	0.596	20	30		CCEDRM
C=CCS(=O)(=O)[N-]C(=O)C1SCCCS1	ZINC000842328100	613886117	/nfs/dbraw/zinc/88/61/17/613886117.db2.gz	OFXYMGWKVBVTRL-UHFFFAOYSA-N	-1	0	267.397	0.815	20	30		CCEDRM
C=CCS(=O)(=O)[N-]C(=O)[C@H]1CCCc2nn(C)cc21	ZINC000798845155	613886187	/nfs/dbraw/zinc/88/61/87/613886187.db2.gz	HLHNGVKIXCNIBF-VIFPVBQESA-N	-1	0	283.353	0.472	20	30		CCEDRM
C=CCS(=O)(=O)[N-]C(=O)[C@@H]1CCc2ncncc2C1	ZINC000842746199	613886205	/nfs/dbraw/zinc/88/62/05/613886205.db2.gz	CKNYOPTZECZZMG-SECBINFHSA-N	-1	0	281.337	0.214	20	30		CCEDRM
C=CCS(=O)(=O)[N-]C(=O)[C@H](OCC)[C@@H]1CCOC1	ZINC000870256552	613886263	/nfs/dbraw/zinc/88/62/63/613886263.db2.gz	IVMFYFNNJJMVCC-NXEZZACHSA-N	-1	0	277.342	0.060	20	30		CCEDRM
CC(C)(C)C[C@H](O)CC(=O)N[C@@H]1CCN(O)C1=O	ZINC000820137029	613921485	/nfs/dbraw/zinc/92/14/85/613921485.db2.gz	JLWCRIDQOJFCRS-RKDXNWHRSA-N	-1	0	258.318	0.280	20	30		CCEDRM
CC(C)(C)OC(=O)[C@@H](C(=O)N[C@H]1CCN(O)C1=O)C1CC1	ZINC000820133291	613999590	/nfs/dbraw/zinc/99/95/90/613999590.db2.gz	WVHMNPJLVSFQIX-VHSXEESVSA-N	-1	0	298.339	0.461	20	30		CCEDRM
CC(C)OCCO[N-]C(=O)C1(C#N)CCOCC1	ZINC000812804639	614018061	/nfs/dbraw/zinc/01/80/61/614018061.db2.gz	BHKASXOUNXYESK-UHFFFAOYSA-N	-1	0	256.302	0.780	20	30		CCEDRM
CC(C)(C)[C@H](C#N)NC(=O)C[C@@H]1CN(C(=O)[O-])CCO1	ZINC000823755386	614032212	/nfs/dbraw/zinc/03/22/12/614032212.db2.gz	ZKSYXHHXGUHVQN-ZJUUUORDSA-N	-1	0	283.328	0.810	20	30		CCEDRM
CC(C)(C)c1ncc(C=Nn2c(=O)[n-][nH]c2=O)cn1	ZINC000814940025	614055922	/nfs/dbraw/zinc/05/59/22/614055922.db2.gz	MKVOJUQBARITMT-UHFFFAOYSA-N	-1	0	262.273	0.659	20	30		CCEDRM
CC(C)(CC(=O)NC[C@H]1CCCN(CC#N)C1)NC(=O)[O-]	ZINC000823881815	614077845	/nfs/dbraw/zinc/07/78/45/614077845.db2.gz	KXABPSNLTAAGAV-LLVKDONJSA-N	-1	0	296.371	0.774	20	30		CCEDRM
CC(C)[C@@H](CO)O[N-]C(=O)C1(C#N)CCOCC1	ZINC000857285938	614101262	/nfs/dbraw/zinc/10/12/62/614101262.db2.gz	OHGVGPFQVZMVCC-SNVBAGLBSA-N	-1	0	256.302	0.371	20	30		CCEDRM
CC(C)[C@@](C)(C#N)NC(=O)CN1CC[C@@H](N(C)C(=O)[O-])C1	ZINC000824055622	614180268	/nfs/dbraw/zinc/18/02/68/614180268.db2.gz	HFEMIDUAGKJZHB-BXUZGUMPSA-N	-1	0	296.371	0.725	20	30		CCEDRM
CC(C)[C@H](C#N)N1CCN(C(=O)[C@H](C)CC(=O)[O-])CC1	ZINC000827264195	614187330	/nfs/dbraw/zinc/18/73/30/614187330.db2.gz	XJAWVEILGVXJRX-NEPJUHHUSA-N	-1	0	281.356	0.790	20	30		CCEDRM
CC(C)C[C@@H](CO)NC(=O)[C@@](C)(C#N)CC(=O)[O-]	ZINC000819967326	614191944	/nfs/dbraw/zinc/19/19/44/614191944.db2.gz	ROAVSCMORMNPPA-JOYOIKCWSA-N	-1	0	256.302	0.514	20	30		CCEDRM
CC(C)(O)CO[N-]C(=O)CNc1ccc(C#N)cc1	ZINC000816381590	614195565	/nfs/dbraw/zinc/19/55/65/614195565.db2.gz	PYTIMIXUJYIUMZ-UHFFFAOYSA-N	-1	0	263.297	0.789	20	30		CCEDRM
CC(=O)O[C@H]1CCCN(C(=O)[C@](C)(C#N)CC(=O)[O-])C1	ZINC000819796754	614228224	/nfs/dbraw/zinc/22/82/24/614228224.db2.gz	JWQSNNPOFYCQGX-GWCFXTLKSA-N	-1	0	282.296	0.545	20	30		CCEDRM
CC(C)Cn1[n-]c(CC(=O)N2CC(C)(C#N)C2)cc1=O	ZINC000935773763	614235088	/nfs/dbraw/zinc/23/50/88/614235088.db2.gz	UOWCYRSCRKSZCI-UHFFFAOYSA-N	-1	0	276.340	0.747	20	30		CCEDRM
CC(=O)c1c[nH]c(C(=O)N2CCN(C(=O)[O-])C[C@@H]2C#N)c1	ZINC000823626763	614246165	/nfs/dbraw/zinc/24/61/65/614246165.db2.gz	CHAPWARDDSBUDX-JTQLQIEISA-N	-1	0	290.279	0.545	20	30		CCEDRM
CC(C)(C#N)CS(=O)(=O)N1CCC[C@@H]1CC(=O)[O-]	ZINC000905988317	614286165	/nfs/dbraw/zinc/28/61/65/614286165.db2.gz	HAPWUUOHGQBDTG-SECBINFHSA-N	-1	0	274.342	0.805	20	30		CCEDRM
CC(C)[C@](C)(C#N)NC(=O)[C@@H](C)OC(=O)[C@H](C)NC(=O)[O-]	ZINC000833532865	614286129	/nfs/dbraw/zinc/28/61/29/614286129.db2.gz	KPVRFGWPVUHQTP-RWEMILLDSA-N	-1	0	299.327	0.629	20	30		CCEDRM
CC1(C#N)CCN(C(=O)CSCC(=O)[O-])CC1	ZINC000820206348	614422281	/nfs/dbraw/zinc/42/22/81/614422281.db2.gz	YDYOPBRWUJTSSN-UHFFFAOYSA-N	-1	0	256.327	0.956	20	30		CCEDRM
CC1(C#N)CN(S(=O)(=O)c2csc(C(=O)[O-])c2)C1	ZINC000906961330	614422810	/nfs/dbraw/zinc/42/28/10/614422810.db2.gz	GPIQIRNATVLIMY-UHFFFAOYSA-N	-1	0	286.334	0.980	20	30		CCEDRM
CC1(C)CCC(NN=C2C(=O)[N-]C(=O)NC2=O)CC1	ZINC000872395261	614525397	/nfs/dbraw/zinc/52/53/97/614525397.db2.gz	FLCYMWGFNOSLFG-UHFFFAOYSA-N	-1	0	266.301	0.267	20	30		CCEDRM
C[C@@](C#N)(CC(=O)[O-])C(=O)N1CCOC(C)(C)C1	ZINC000820211913	614596079	/nfs/dbraw/zinc/59/60/79/614596079.db2.gz	MXQDNSPQYWVWDJ-LBPRGKRZSA-N	-1	0	254.286	0.628	20	30		CCEDRM
CCCC(=O)N1CCC[C@@H]1C(=O)N[C@H]1CCCN(O)C1=O	ZINC000820470984	614760133	/nfs/dbraw/zinc/76/01/33/614760133.db2.gz	KGSJMFVHYXOARN-WDEREUQCSA-N	-1	0	297.355	0.274	20	30		CCEDRM
C[C@](C#N)(CC(=O)[O-])C(=O)N[C@@H]1[C@@H]2CCO[C@@H]2C1(C)C	ZINC000819822547	614870656	/nfs/dbraw/zinc/87/06/56/614870656.db2.gz	PETKXLCMQVDWFB-WQURNTSKSA-N	-1	0	280.324	0.921	20	30		CCEDRM
CCN(C)S(=O)(=O)[N-]C(=O)c1cc(C#N)oc1C	ZINC000797950686	614884222	/nfs/dbraw/zinc/88/42/22/614884222.db2.gz	AVGNAHGYDQSMEB-UHFFFAOYSA-N	-1	0	271.298	0.386	20	30		CCEDRM
CCN(C[C@@H](C)C#N)C(=O)C[C@@H]1CN(C(=O)[O-])CCO1	ZINC000827020032	615061877	/nfs/dbraw/zinc/06/18/77/615061877.db2.gz	KHDYBASXXDDTHV-WDEREUQCSA-N	-1	0	283.328	0.763	20	30		CCEDRM
CCN(C[C@H](C)C#N)C(=O)CN(C)[C@H](C)C(=O)[O-]	ZINC000818193586	615064286	/nfs/dbraw/zinc/06/42/86/615064286.db2.gz	BOGBDFPIPWHDJG-NXEZZACHSA-N	-1	0	255.318	0.399	20	30		CCEDRM
CCOC(=O)/C=C/c1ccc(C=NNCC(=O)[O-])n1C	ZINC000872377907	615146287	/nfs/dbraw/zinc/14/62/87/615146287.db2.gz	NTQBWMBUCQIPTK-RAWVGYKOSA-N	-1	0	279.296	0.610	20	30		CCEDRM
CCOCCOCCCC(=O)[N-]S(=O)(=O)CCC#N	ZINC000851016460	615269783	/nfs/dbraw/zinc/26/97/83/615269783.db2.gz	VEJJRPQDFARWPZ-UHFFFAOYSA-N	-1	0	292.357	0.179	20	30		CCEDRM
CCOC[C@H](C(=O)[O-])N(C)C(=O)c1ccc(C#N)nc1	ZINC000829966814	615313056	/nfs/dbraw/zinc/31/30/56/615313056.db2.gz	PJNODXWOINEFGL-LLVKDONJSA-N	-1	0	277.280	0.515	20	30		CCEDRM
CCO[N-]C(=O)CNC(=O)COc1ccccc1C#N	ZINC000846498948	615357626	/nfs/dbraw/zinc/35/76/26/615357626.db2.gz	GSEOZXODWZDFKS-UHFFFAOYSA-N	-1	0	277.280	0.121	20	30		CCEDRM
CCS(=O)(CC)=NS(=O)(=O)[N-]C[C@H](C)C#N	ZINC000866894410	615358016	/nfs/dbraw/zinc/35/80/16/615358016.db2.gz	CPUCOMIEKLDAJA-MRVPVSSYSA-N	-1	0	267.376	0.488	20	30		CCEDRM
CCO[N-]C(=O)CNC(=O)NCC(C)(C)CC#N	ZINC000845533576	615362356	/nfs/dbraw/zinc/36/23/56/615362356.db2.gz	FFKAVEAZUIFKCE-UHFFFAOYSA-N	-1	0	256.306	0.293	20	30		CCEDRM
CCO[N-]C(=O)CNC(=O)c1cccc(F)c1C#N	ZINC000846493369	615371929	/nfs/dbraw/zinc/37/19/29/615371929.db2.gz	XMBWYBMZGFHYFN-UHFFFAOYSA-N	-1	0	265.244	0.495	20	30		CCEDRM
CCO[N-]C(=O)CN[C@@H](C(=O)OC)c1ccc(C#N)cc1	ZINC000844630747	615376280	/nfs/dbraw/zinc/37/62/80/615376280.db2.gz	ADZYRJBRJFMJDG-CYBMUJFWSA-N	-1	0	291.307	0.430	20	30		CCEDRM
CCO[N-]C(=O)CNc1nccc(C#N)c1[N+](=O)[O-]	ZINC000845714777	615377170	/nfs/dbraw/zinc/37/71/70/615377170.db2.gz	VJAGXDPNSKYVCJ-UHFFFAOYSA-N	-1	0	265.229	0.341	20	30		CCEDRM
CCNC(=O)CCCC(=O)N1CCN(C(=O)[O-])C[C@@H]1C#N	ZINC000827237722	615461272	/nfs/dbraw/zinc/46/12/72/615461272.db2.gz	YDMWELRNSFLTCS-JTQLQIEISA-N	-1	0	296.327	0.007	20	30		CCEDRM
CC[C@@H](C)S(=O)(=O)[N-]C(=O)c1cccc(C#N)n1	ZINC000810671926	615464438	/nfs/dbraw/zinc/46/44/38/615464438.db2.gz	ZEIOVKWPWTZSGT-MRVPVSSYSA-N	-1	0	267.310	0.811	20	30		CCEDRM
CC[C@@H](NN=Cc1cc(C(=O)OC)no1)C(=O)[O-]	ZINC000814937880	615536450	/nfs/dbraw/zinc/53/64/50/615536450.db2.gz	RBNBLLHNZBVLNW-SSDOTTSWSA-N	-1	0	255.230	0.248	20	30		CCEDRM
CCn1nc(C)c(CNS(=O)(=O)c2ccc(C#N)o2)n1	ZINC000819890514	615665045	/nfs/dbraw/zinc/66/50/45/615665045.db2.gz	IGAUKHAHFNLCLW-UHFFFAOYSA-N	-1	0	295.324	0.550	20	30		CCEDRM
CCn1ncc(C=CC([O-])=C2C(=O)C=C(C)OC2=O)n1	ZINC000901416784	615675836	/nfs/dbraw/zinc/67/58/36/615675836.db2.gz	IYXBMUDCMSKILL-RXNFCKPNSA-N	-1	0	275.264	0.526	20	30		CCEDRM
CCn1nccc1C(=O)[N-]S(=O)(=O)CC1(C#N)CC1	ZINC000793196942	615721659	/nfs/dbraw/zinc/72/16/59/615721659.db2.gz	KXCRFERICUUJDE-UHFFFAOYSA-N	-1	0	282.325	0.266	20	30		CCEDRM
CC[C@H](CNS(=O)(=O)c1ccc(C#N)o1)C(=O)[O-]	ZINC000806634612	615726717	/nfs/dbraw/zinc/72/67/17/615726717.db2.gz	JESAUVDGMVOVHZ-SSDOTTSWSA-N	-1	0	272.282	0.540	20	30		CCEDRM
CN(C(=O)C1(C#N)CCOCC1)[C@H]1CCN(C(=O)[O-])C1	ZINC000827731075	615780981	/nfs/dbraw/zinc/78/09/81/615780981.db2.gz	XLXIKFZINIFXNV-JTQLQIEISA-N	-1	0	281.312	0.517	20	30		CCEDRM
CCC1N=NC(=S)N1N=Cc1c(C(=O)[O-])cnn1C	ZINC000848400624	615818197	/nfs/dbraw/zinc/81/81/97/615818197.db2.gz	MKJYDAVCSVJFFQ-UHFFFAOYSA-N	-1	0	280.313	0.443	20	30		CCEDRM
CC[C@H](O)CNN=Cc1ccc(OC)cc1OCC(=O)[O-]	ZINC000811655088	615830052	/nfs/dbraw/zinc/83/00/52/615830052.db2.gz	DWXCKJIHRHZIKC-NSHDSACASA-N	-1	0	296.323	0.853	20	30		CCEDRM
CC[C@](C)(C#N)C(=O)N1C[C@@H](C)O[C@@H](C(=O)[O-])C1	ZINC000923085018	615942054	/nfs/dbraw/zinc/94/20/54/615942054.db2.gz	BGHIJTDDPFOUAQ-KBVBSXBZSA-N	-1	0	254.286	0.627	20	30		CCEDRM
CC[C@](C)(C#N)C(=O)NC[C@@]1(C(=O)[O-])CCCOC1	ZINC000923100392	615942108	/nfs/dbraw/zinc/94/21/08/615942108.db2.gz	LADQQBAHKAZHAN-OLZOCXBDSA-N	-1	0	268.313	0.924	20	30		CCEDRM
CCn1cc(C([O-])=C(C#N)C(=O)NC)c(C2CC2)n1	ZINC000870153465	615962298	/nfs/dbraw/zinc/96/22/98/615962298.db2.gz	QEFDMEAGAPQJMR-SECBINFHSA-N	-1	0	260.297	0.849	20	30		CCEDRM
CN(C)[C@H](C(=O)N[C@H]1CCN(O)C1=O)c1ccccc1	ZINC000816690311	615988630	/nfs/dbraw/zinc/98/86/30/615988630.db2.gz	OCRJQMFCCJZHNN-RYUDHWBXSA-N	-1	0	277.324	0.396	20	30		CCEDRM
CN(C)c1cnc(C([O-])=C(C#N)C(=O)N2CCCC2)cn1	ZINC000847621154	616032020	/nfs/dbraw/zinc/03/20/20/616032020.db2.gz	IEFZLNFJOKVGGC-JTQLQIEISA-N	-1	0	287.323	0.487	20	30		CCEDRM
CN(C)c1ncc(NC(=O)[C@](C)(C#N)CC(=O)[O-])cn1	ZINC000820554108	616036530	/nfs/dbraw/zinc/03/65/30/616036530.db2.gz	DLESRZQTZVVZHG-LBPRGKRZSA-N	-1	0	277.284	0.486	20	30		CCEDRM
CN(CC(C)(C)CNC(=O)[O-])S(=O)(=O)CCCC#N	ZINC000828154695	616051262	/nfs/dbraw/zinc/05/12/62/616051262.db2.gz	NTZKAHLKGFPNJJ-UHFFFAOYSA-N	-1	0	291.373	0.846	20	30		CCEDRM
CN(CC1(O)CCCC1)C(=O)[C@@](C)(C#N)CC(=O)[O-]	ZINC000820574237	616057114	/nfs/dbraw/zinc/05/71/14/616057114.db2.gz	JEUACPWKSGLUGF-GFCCVEGCSA-N	-1	0	268.313	0.754	20	30		CCEDRM
CN(CCC(=O)[O-])C(=O)C1(C#N)CCSCC1	ZINC000907586618	616068726	/nfs/dbraw/zinc/06/87/26/616068726.db2.gz	QFTRJRAFYYTIHY-UHFFFAOYSA-N	-1	0	256.327	0.956	20	30		CCEDRM
CN(Cc1n[nH]c(=O)[n-]1)C[C@H](O)c1cccc(C#N)c1	ZINC000844365802	616102748	/nfs/dbraw/zinc/10/27/48/616102748.db2.gz	IMWWEEVPSBWDMT-NSHDSACASA-N	-1	0	273.296	0.547	20	30		CCEDRM
CN(Cc1nccn1C)C(=O)[C@](C)(C#N)CC(=O)[O-]	ZINC000820607844	616106498	/nfs/dbraw/zinc/10/64/98/616106498.db2.gz	ZTAVNZONBRSPMK-LBPRGKRZSA-N	-1	0	264.285	0.383	20	30		CCEDRM
CN(Cc1ccccc1F)C(=O)CN(CC#N)CC(=O)[O-]	ZINC000830856492	616170338	/nfs/dbraw/zinc/17/03/38/616170338.db2.gz	MBNACYVJBOSXGM-UHFFFAOYSA-N	-1	0	293.298	0.694	20	30		CCEDRM
CN1CCO[C@H](C(=O)[N-]Oc2cccc(C#N)c2)C1	ZINC000870693055	616259527	/nfs/dbraw/zinc/25/95/27/616259527.db2.gz	WMJMOKNBXLKVDW-LBPRGKRZSA-N	-1	0	261.281	0.299	20	30		CCEDRM
CN([C@H](C(=O)[O-])c1cccc(C#N)c1)[C@@H]1CCN(C)C1=O	ZINC000830923556	616273984	/nfs/dbraw/zinc/27/39/84/616273984.db2.gz	LWJVXPUSVCUTOY-OLZOCXBDSA-N	-1	0	287.319	0.846	20	30		CCEDRM
COC(C)(C)C(=O)[N-]S(=O)(=O)CC1(C#N)CC1	ZINC000793200908	616286410	/nfs/dbraw/zinc/28/64/10/616286410.db2.gz	DWCAUQHVIVJYHE-UHFFFAOYSA-N	-1	0	260.315	0.161	20	30		CCEDRM
COCCNC(=O)C(C#N)=C([O-])c1ccc2c(c1)CCO2	ZINC000916890154	616491659	/nfs/dbraw/zinc/49/16/59/616491659.db2.gz	FPQFLAYWMMYMFV-LBPRGKRZSA-N	-1	0	288.303	0.707	20	30		CCEDRM
COCCNC(=O)C(C#N)=C([O-])c1cnc(F)cc1C	ZINC000870137247	616496582	/nfs/dbraw/zinc/49/65/82/616496582.db2.gz	XMDVPYDWPQWADV-SECBINFHSA-N	-1	0	279.271	0.614	20	30		CCEDRM
COCCS(=O)(=O)[N-]c1cc(C#N)cc(C)n1	ZINC000903140838	616613472	/nfs/dbraw/zinc/61/34/72/616613472.db2.gz	IPHAHQIUWOHIAT-UHFFFAOYSA-N	-1	0	255.299	0.650	20	30		CCEDRM
COC[C@H](C)Sc1nc(N)c(C#N)cc1-c1nn[nH]n1	ZINC000821682679	616633103	/nfs/dbraw/zinc/63/31/03/616633103.db2.gz	LMJNFRIGXFBAFH-LURJTMIESA-N	-1	0	291.340	0.843	20	30		CCEDRM
CNC(=O)C(C#N)=C([O-])c1cncc(OC(C)C)c1	ZINC000119589148	616777809	/nfs/dbraw/zinc/77/78/09/616777809.db2.gz	XXNWQOVRIRGLJD-NSHDSACASA-N	-1	0	261.281	0.937	20	30		CCEDRM
COC[C@](C)(CC(=O)[O-])NC(=O)c1c[nH]c(C#N)c1	ZINC000833720394	616818986	/nfs/dbraw/zinc/81/89/86/616818986.db2.gz	AFEHWMADFIZXAN-LBPRGKRZSA-N	-1	0	265.269	0.496	20	30		CCEDRM
COC[C@@H](O)C/N=C\c1cc([N+](=O)[O-])ccc1[O-]	ZINC000801645848	616905222	/nfs/dbraw/zinc/90/52/22/616905222.db2.gz	GZZVBABVVQNASV-IUIMMGEKSA-N	-1	0	254.242	0.727	20	30		CCEDRM
CNC(=O)c1ccc(C=NNc2nnc(C)c(=O)[n-]2)cc1	ZINC000912791434	616907152	/nfs/dbraw/zinc/90/71/52/616907152.db2.gz	OLHJIHGSDUDUPW-UHFFFAOYSA-N	-1	0	286.295	0.691	20	30		CCEDRM
CO[C@H](C(=O)[N-]S(=O)(=O)CC1(C#N)CC1)C1CC1	ZINC000793204796	616981605	/nfs/dbraw/zinc/98/16/05/616981605.db2.gz	LMPJERZDHBJSHR-VIFPVBQESA-N	-1	0	272.326	0.161	20	30		CCEDRM
CO[C@H](C(=O)[N-]S(=O)(=O)CCCC#N)C1CCC1	ZINC000850926513	616981928	/nfs/dbraw/zinc/98/19/28/616981928.db2.gz	NIOWYSCLJOVDFT-JTQLQIEISA-N	-1	0	274.342	0.551	20	30		CCEDRM
CO[C@H](C)CS(=O)(=O)[N-]C(=O)c1cc(C)c(C#N)cn1	ZINC000838869518	617076178	/nfs/dbraw/zinc/07/61/78/617076178.db2.gz	PKSXRZVCMWBFIJ-SECBINFHSA-N	-1	0	297.336	0.356	20	30		CCEDRM
COc1cc(C#N)ccc1CN1CCO[C@H](C(=O)[O-])C1	ZINC000820754514	617152656	/nfs/dbraw/zinc/15/26/56/617152656.db2.gz	GYBPNVUSORYYOY-ZDUSSCGKSA-N	-1	0	276.292	0.852	20	30		CCEDRM
COc1cc(C#N)ccc1S(=O)(=O)[N-]c1cnnn1C	ZINC000808564428	617152982	/nfs/dbraw/zinc/15/29/82/617152982.db2.gz	SAYFBIANENTLNG-UHFFFAOYSA-N	-1	0	293.308	0.496	20	30		CCEDRM
COc1cc(C(=O)N2CCOC[C@@H]2C(=O)[O-])ccc1C#N	ZINC000852943646	617156400	/nfs/dbraw/zinc/15/64/00/617156400.db2.gz	XRNDKUIOZYRMBO-LLVKDONJSA-N	-1	0	290.275	0.492	20	30		CCEDRM
N#CCC(=O)N1CCN(C(=O)c2cccc(F)c2[O-])CC1	ZINC000934790446	622863786	/nfs/dbraw/zinc/86/37/86/622863786.db2.gz	ZZLVKLUYGMVWKA-UHFFFAOYSA-N	-1	0	291.282	0.729	20	30		CCEDRM
C#CC[C@@H](NC(=O)Nc1cnn(CC)c1)C(=O)[O-]	ZINC000161671964	622894849	/nfs/dbraw/zinc/89/48/49/622894849.db2.gz	XBUSSMNDWCVXIN-SECBINFHSA-N	-1	0	250.258	0.501	20	30		CCEDRM
C#CCN(CC)S(=O)(=O)c1ccc([O-])c([N+](=O)[O-])c1	ZINC000108920903	623446081	/nfs/dbraw/zinc/44/60/81/623446081.db2.gz	BVYXNBSQOSJICE-UHFFFAOYSA-N	-1	0	284.293	0.944	20	30		CCEDRM
CC#CCCNC(=O)N[C@@](CC)(COC)C(=O)[O-]	ZINC000328564537	623887567	/nfs/dbraw/zinc/88/75/67/623887567.db2.gz	KNEUSYNHNNPFCX-LBPRGKRZSA-N	-1	0	256.302	0.579	20	30		CCEDRM
Cc1n[nH]c(C(=O)NCC#C[C@H]2CCCCO2)c1[O-]	ZINC000891124339	624732206	/nfs/dbraw/zinc/73/22/06/624732206.db2.gz	JEHMRFPQOBRIBL-SNVBAGLBSA-N	-1	0	263.297	0.726	20	30		CCEDRM
C[C@H](NC(=O)c1ccco1)C(=O)[N-]S(C)(=O)=O	ZINC000048479144	624784626	/nfs/dbraw/zinc/78/46/26/624784626.db2.gz	CQQJMMHWWUXJSM-LURJTMIESA-N	-1	0	260.271	0.314	20	30		CCEDRM
CCc1nn(C)cc1C(=O)[N-]S(=O)(=O)c1cnn(C)c1	ZINC000092694014	630904311	/nfs/dbraw/zinc/90/43/11/630904311.db2.gz	HOYPGBSLINHYPR-UHFFFAOYSA-N	-1	0	297.340	0.410	20	30		CCEDRM
C=CCN(CC(=O)[O-])C(=O)c1ccc(C)[nH]c1=O	ZINC000163132188	631663388	/nfs/dbraw/zinc/66/33/88/631663388.db2.gz	KDIOXGGOKYYLCS-UHFFFAOYSA-N	-1	0	250.254	0.396	20	30		CCEDRM
CN(CC(=O)[O-])S(=O)(=O)CC1(C#N)CCCC1	ZINC000261872650	631665422	/nfs/dbraw/zinc/66/54/22/631665422.db2.gz	PFAXAERTVPWBLL-UHFFFAOYSA-N	-1	0	260.315	0.417	20	30		CCEDRM
CC(C)(C)CC(=O)NCC(=O)[N-]S(C)(=O)=O	ZINC000049004017	631876151	/nfs/dbraw/zinc/87/61/51/631876151.db2.gz	ZTNWJDZIWXDPCT-UHFFFAOYSA-N	-1	0	250.320	0.455	20	30		CCEDRM
C=CCN(C(=O)c1cn(CC(=O)[O-])nn1)C1CC1	ZINC000165791558	631933385	/nfs/dbraw/zinc/93/33/85/631933385.db2.gz	VZHADNVWYAMNSX-UHFFFAOYSA-N	-1	0	250.258	0.153	20	30		CCEDRM
O=C1[C@H](NCc2cnc3ccccn23)CCCN1O	ZINC000895164276	631999779	/nfs/dbraw/zinc/99/97/79/631999779.db2.gz	BKZMMUSUOFQKGD-LLVKDONJSA-N	-1	0	260.297	0.804	20	30		CCEDRM
CNC(=O)C(C#N)=C([O-])c1cccc(OCCOC)c1	ZINC000121413415	632491544	/nfs/dbraw/zinc/49/15/44/632491544.db2.gz	BTVRODMJIBYJPY-LBPRGKRZSA-N	-1	0	276.292	0.780	20	30		CCEDRM
CS(=O)(=O)[N-]C(=O)[C@H]1CC(=O)N(Cc2ccccc2)C1	ZINC000042278980	633896567	/nfs/dbraw/zinc/89/65/67/633896567.db2.gz	TUXXNPGYDKNFHI-NSHDSACASA-N	-1	0	296.348	0.951	20	30		CCEDRM
CS(=O)(=O)[N-]C(=O)c1cccc(NC(N)=O)c1	ZINC000042278844	633896852	/nfs/dbraw/zinc/89/68/52/633896852.db2.gz	UWZPWVZAAGHQOX-UHFFFAOYSA-N	-1	0	257.271	0.441	20	30		CCEDRM
O=C([O-])C#C[C@@H]1CCCN(S(=O)(=O)CCC2CC2)C1	ZINC000899925437	633923490	/nfs/dbraw/zinc/92/34/90/633923490.db2.gz	DEJGLJQJTXJTNA-LBPRGKRZSA-N	-1	0	285.365	0.916	20	30		CCEDRM
N#CC1(C(=O)N2CCO[C@@H](C(=O)[O-])C2)CCSCC1	ZINC000907588456	635161387	/nfs/dbraw/zinc/16/13/87/635161387.db2.gz	LBYNLENSVUTZPY-SECBINFHSA-N	-1	0	284.337	0.335	20	30		CCEDRM
C[C@]1(C(=O)[O-])CN(C(=O)C2(C#N)CCCC2)CCO1	ZINC000910323847	635748345	/nfs/dbraw/zinc/74/83/45/635748345.db2.gz	JVQACKZVUQALCQ-GFCCVEGCSA-N	-1	0	266.297	0.772	20	30		CCEDRM
N#Cc1ccc(OCC(=O)N2C[C@@H](F)C[C@H]2C(=O)[O-])cc1	ZINC000910441046	635766485	/nfs/dbraw/zinc/76/64/85/635766485.db2.gz	IHFNLFRPROMZAY-JQWIXIFHSA-N	-1	0	292.266	0.961	20	30		CCEDRM
O=C([O-])c1ccc(CCC(=O)NCC#CCO)cc1	ZINC000911401343	636254940	/nfs/dbraw/zinc/25/49/40/636254940.db2.gz	GOTRWPIKMCQYOX-UHFFFAOYSA-N	-1	0	261.277	0.429	20	30		CCEDRM
C#C[C@@H](NC(=O)c1cccc(C(=O)[O-])n1)[C@@H]1CCCO1	ZINC000911581225	636297535	/nfs/dbraw/zinc/29/75/35/636297535.db2.gz	WPCACBZTTYHWFJ-SKDRFNHKSA-N	-1	0	274.276	0.690	20	30		CCEDRM
CC#CCN1CCC[C@H](NC(=O)c2[nH]nc(C)c2[O-])C1	ZINC001007132203	637642974	/nfs/dbraw/zinc/64/29/74/637642974.db2.gz	ZTEHWUUPTRZBHZ-NSHDSACASA-N	-1	0	276.340	0.641	20	30		CCEDRM
COCCNC(=O)C(C#N)=C([O-])c1ccc(COC)cc1	ZINC000193415730	637735667	/nfs/dbraw/zinc/73/56/67/637735667.db2.gz	HFGQBALJEPDRIC-ZDUSSCGKSA-N	-1	0	290.319	0.918	20	30		CCEDRM
Cn1c(C([O-])=C(C#N)C(=O)N2CCCC2)ccc1[N+](=O)[O-]	ZINC000916871644	637930367	/nfs/dbraw/zinc/93/03/67/637930367.db2.gz	QKENNRVQBBTZFP-VIFPVBQESA-N	-1	0	290.279	0.878	20	30		CCEDRM
N#CCCCS(=O)(=O)[N-]C(=O)C[C@H]1CCCO1	ZINC000181275698	638329178	/nfs/dbraw/zinc/32/91/78/638329178.db2.gz	PXINHOSFNAKLRR-SECBINFHSA-N	-1	0	260.315	0.305	20	30		CCEDRM
CCO[C@H](C)C(=O)[N-]S(=O)(=O)Cc1ccc(C#N)cc1	ZINC000069568056	638377974	/nfs/dbraw/zinc/37/79/74/638377974.db2.gz	AECXZBGFEHJFPX-SNVBAGLBSA-N	-1	0	296.348	0.929	20	30		CCEDRM
CC#CCS(=O)(=O)[N-]C(=O)c1cnc(C)nc1C(C)C	ZINC000788071125	638837601	/nfs/dbraw/zinc/83/76/01/638837601.db2.gz	OBYFAIQASSHXMS-UHFFFAOYSA-N	-1	0	295.364	0.991	20	30		CCEDRM
N#C[C@]1(C(=O)NCCOCC(=O)[O-])CC12CCCC2	ZINC000923082618	640017603	/nfs/dbraw/zinc/01/76/03/640017603.db2.gz	VYTRWFFXQMGMHI-ZDUSSCGKSA-N	-1	0	266.297	0.678	20	30		CCEDRM
N#C[C@@]1(C(=O)NC[C@H]2C[C@H]2C(=O)[O-])CCCOC1	ZINC000923100169	640021931	/nfs/dbraw/zinc/02/19/31/640021931.db2.gz	BFEPZGONVPCKAZ-LNLATYFQSA-N	-1	0	252.270	0.144	20	30		CCEDRM
C[C@]1(C(=O)[O-])CN(C(=O)C2(C#N)CCC2)CCO1	ZINC000923099800	640022408	/nfs/dbraw/zinc/02/24/08/640022408.db2.gz	GRLXLPXCTFAWRX-LLVKDONJSA-N	-1	0	252.270	0.382	20	30		CCEDRM
C[C@@H](C(=O)[N-]OCc1ccccc1)n1cnc(C#N)n1	ZINC000798844551	640531659	/nfs/dbraw/zinc/53/16/59/640531659.db2.gz	AQXPFMOHRIBUTJ-JTQLQIEISA-N	-1	0	271.280	0.959	20	30		CCEDRM
C[C@H](C(=O)[N-]O[C@H]1CCCCO1)n1cnc(C#N)n1	ZINC000798941815	640534404	/nfs/dbraw/zinc/53/44/04/640534404.db2.gz	JDFAVQBYKKYRJV-SCZZXKLOSA-N	-1	0	265.273	0.285	20	30		CCEDRM
COc1ncc[nH]c1=NNC1=CC(=O)N2CCC[C@@H]12	ZINC000799485477	640576372	/nfs/dbraw/zinc/57/63/72/640576372.db2.gz	UAVAPCGYGIRRBQ-VIFPVBQESA-N	-1	0	261.285	0.648	20	30		CCEDRM
N#Cc1ccc(CNC(=O)[C@H]2CC[C@@H](C(=O)[O-])O2)nc1	ZINC000806555818	640791606	/nfs/dbraw/zinc/79/16/06/640791606.db2.gz	YITXAQZXBRRMSI-MNOVXSKESA-N	-1	0	275.264	0.202	20	30		CCEDRM
CON=CC(=O)Nc1cccc(-c2nc(=O)o[n-]2)c1	ZINC000809648900	640902601	/nfs/dbraw/zinc/90/26/01/640902601.db2.gz	MJSZUNRWMICEHB-UHFFFAOYSA-N	-1	0	262.225	0.601	20	30		CCEDRM
CC#CCS(=O)(=O)[N-]C(=O)c1ncccc1OCC	ZINC000810776228	640949402	/nfs/dbraw/zinc/94/94/02/640949402.db2.gz	KRURCDCCLHWHAL-UHFFFAOYSA-N	-1	0	282.321	0.563	20	30		CCEDRM
N#Cc1cncc(S(=O)(=O)[N-]C(=O)c2ccoc2)c1	ZINC000813980910	641051666	/nfs/dbraw/zinc/05/16/66/641051666.db2.gz	KSDZANCXMQOQMT-UHFFFAOYSA-N	-1	0	277.261	0.665	20	30		CCEDRM
N#Cc1cncc(S(=O)(=O)[N-]C(=O)CCC2CC2)c1	ZINC000813984980	641052289	/nfs/dbraw/zinc/05/22/89/641052289.db2.gz	IJOATQNUGNOFSP-UHFFFAOYSA-N	-1	0	279.321	0.948	20	30		CCEDRM
Cc1nn(-c2ccccc2)c(N)c1C=Nn1c(=O)[n-][nH]c1=O	ZINC000814231592	641061417	/nfs/dbraw/zinc/06/14/17/641061417.db2.gz	KBKSMFQHRCYFGF-UHFFFAOYSA-N	-1	0	299.294	0.648	20	30		CCEDRM
Cn1nccc1-c1ccccc1C=Nn1c(=O)[n-][nH]c1=O	ZINC000814233064	641062209	/nfs/dbraw/zinc/06/22/09/641062209.db2.gz	ZHDIHNFLJGBQRH-UHFFFAOYSA-N	-1	0	284.279	0.972	20	30		CCEDRM
O=c1[n-][nH]c(=O)n1N=Cc1c[nH]nc1-c1ccccc1	ZINC000814232081	641062606	/nfs/dbraw/zinc/06/26/06/641062606.db2.gz	LRXRMSWETIQYQS-UHFFFAOYSA-N	-1	0	270.252	0.962	20	30		CCEDRM
C[C@H]1C(N=NC2=NC(=O)C(=O)N2)CC[C@@H](C(=O)[O-])C1(C)C	ZINC000814890652	641081189	/nfs/dbraw/zinc/08/11/89/641081189.db2.gz	ZUCKUESMERDTTJ-BQBZGAKWSA-N	-1	0	294.311	0.101	20	30		CCEDRM
O=C([O-])CNN=Cc1ccc(N2CCOCC2)c(F)c1	ZINC000814959305	641085000	/nfs/dbraw/zinc/08/50/00/641085000.db2.gz	ZENPPVYBEHLTMC-UHFFFAOYSA-N	-1	0	281.287	0.670	20	30		CCEDRM
O=C(N[C@@H]1CCCN(O)C1=O)c1ccc([N+](=O)[O-])cc1[O-]	ZINC000816754508	641210937	/nfs/dbraw/zinc/21/09/37/641210937.db2.gz	GHNPHROXTXPRSA-SECBINFHSA-N	-1	0	295.251	0.410	20	30		CCEDRM
[O-]c1nncc(NN=C2CCN(CCO)CC2)c1Cl	ZINC000819803553	641433727	/nfs/dbraw/zinc/43/37/27/641433727.db2.gz	RQLZABSSYGGJOW-UHFFFAOYSA-N	-1	0	285.735	0.692	20	30		CCEDRM
N#CC(C(=O)NC1CC1)=C([O-])c1cc2c(cn1)OCCO2	ZINC000819944611	641441088	/nfs/dbraw/zinc/44/10/88/641441088.db2.gz	OLIPLWCHBVKCGY-SECBINFHSA-N	-1	0	287.275	0.454	20	30		CCEDRM
Cc1ncsc1CCC(=O)N[C@@H]1CCN(O)C1=O	ZINC000820131706	641464799	/nfs/dbraw/zinc/46/47/99/641464799.db2.gz	KVVPVFKYHFYAIL-MRVPVSSYSA-N	-1	0	269.326	0.490	20	30		CCEDRM
N#CC1(CS(=O)(=O)[N-]C(=O)/C=C\[C@H]2CCCO2)CC1	ZINC000820595153	641519956	/nfs/dbraw/zinc/51/99/56/641519956.db2.gz	WCJCEOUHSKUSMC-UMBAGQNISA-N	-1	0	284.337	0.471	20	30		CCEDRM
N#Cc1ccc(NC(=O)Cc2ccon2)cc1-c1nn[nH]n1	ZINC000822829842	641705162	/nfs/dbraw/zinc/70/51/62/641705162.db2.gz	LOEFTQYSGVOWCD-UHFFFAOYSA-N	-1	0	295.262	0.908	20	30		CCEDRM
C[C@@]1(F)CCCN(C(=O)Cn2cc(C#N)c(=O)[n-]c2=O)C1	ZINC000823222518	641748450	/nfs/dbraw/zinc/74/84/50/641748450.db2.gz	FZHLFTGGWYGTJA-CYBMUJFWSA-N	-1	0	294.286	0.171	20	30		CCEDRM
N#Cc1c(-c2nnn[n-]2)ncn1CCOCC(F)(F)F	ZINC000826383343	641930111	/nfs/dbraw/zinc/93/01/11/641930111.db2.gz	WJPRPLRKGFVAGQ-UHFFFAOYSA-N	-1	0	287.205	0.514	20	30		CCEDRM
C[C@@H]1C[C@@H](C)CN(C(=O)CN(CC#N)CC(=O)[O-])C1	ZINC000828161491	642068694	/nfs/dbraw/zinc/06/86/94/642068694.db2.gz	NNSVIFKSHLWDAV-GHMZBOCLSA-N	-1	0	267.329	0.401	20	30		CCEDRM
O=C([O-])c1ccc(N=NC2COCCOC2)cn1	ZINC000835010178	642645524	/nfs/dbraw/zinc/64/55/24/642645524.db2.gz	RXBCOVBWOUZMLJ-UHFFFAOYSA-N	-1	0	251.242	0.595	20	30		CCEDRM
C#CCO[C@@H](C)C(=O)[N-]S(=O)(=O)C[C@H](C)CCC	ZINC000835156851	642649897	/nfs/dbraw/zinc/64/98/97/642649897.db2.gz	RLEHKCBRFVQIEK-MNOVXSKESA-N	-1	0	275.370	0.907	20	30		CCEDRM
N#CC1CCN(C(=O)C(=O)N[C@H]2CC[C@@H](C(=O)[O-])C2)CC1	ZINC000843258632	643019786	/nfs/dbraw/zinc/01/97/86/643019786.db2.gz	CWHINAKZYKAHLG-MNOVXSKESA-N	-1	0	293.323	0.118	20	30		CCEDRM
C[C@@H](CC#N)N(C)S(=O)(=O)N[C@H](CC(=O)[O-])C1CC1	ZINC000844789033	643248863	/nfs/dbraw/zinc/24/88/63/643248863.db2.gz	IGVXHPLKIWJQPI-WCBMZHEXSA-N	-1	0	289.357	0.308	20	30		CCEDRM
Cn1ncc(C(=O)[O-])c1C=NO[C@H]1CCCCO1	ZINC000848406828	643633288	/nfs/dbraw/zinc/63/32/88/643633288.db2.gz	IRQMXHBJZGDEBO-JTQLQIEISA-N	-1	0	253.258	0.995	20	30		CCEDRM
Cc1nnc(NN=Cc2cc3n(n2)CCCC3)[n-]c1=O	ZINC000848400373	643633508	/nfs/dbraw/zinc/63/35/08/643633508.db2.gz	FMSUGOOKTWWOBV-UHFFFAOYSA-N	-1	0	273.300	0.864	20	30		CCEDRM
C[C@@H](CC#N)C(=O)[N-]S(=O)(=O)CC(F)(F)F	ZINC000850865092	643818962	/nfs/dbraw/zinc/81/89/62/643818962.db2.gz	JYFOKCSMCIRSNE-YFKPBYRVSA-N	-1	0	258.221	0.544	20	30		CCEDRM
Cc1ccn([C@@H](C)CC(=O)[N-]S(=O)(=O)CCC#N)n1	ZINC000851016612	643826566	/nfs/dbraw/zinc/82/65/66/643826566.db2.gz	YXIKVUDVCSADDF-JTQLQIEISA-N	-1	0	284.341	0.502	20	30		CCEDRM
C[C@H](CO)NN=C1C(=O)Nc2cc([O-])c(Cl)cc21	ZINC000853314914	644097805	/nfs/dbraw/zinc/09/78/05/644097805.db2.gz	PVASYDQFZJLIQF-RXMQYKEDSA-N	-1	0	269.688	0.672	20	30		CCEDRM
O=C([O-])c1cc(C=NN[C@@H]2CCCS(=O)(=O)C2)c[nH]1	ZINC000863133051	645062569	/nfs/dbraw/zinc/06/25/69/645062569.db2.gz	WOTNUNDRFWTBPT-SECBINFHSA-N	-1	0	285.325	0.214	20	30		CCEDRM
C[C@@H](C(=O)N[C@H]1CCCN(O)C1=O)c1ccncc1	ZINC000868562199	645786794	/nfs/dbraw/zinc/78/67/94/645786794.db2.gz	DJSCJEDQENSIGR-KOLCDFICSA-N	-1	0	263.297	0.682	20	30		CCEDRM
N#CC(C(=O)NC1CC1)=C([O-])c1ncc2n1CCCC2	ZINC000870143369	645964996	/nfs/dbraw/zinc/96/49/96/645964996.db2.gz	UKWORVPWMAPZNB-NSHDSACASA-N	-1	0	272.308	0.820	20	30		CCEDRM
N#Cc1cccc(O[N-]C(=O)C(=O)NCC2CC2)c1	ZINC000870691695	646017352	/nfs/dbraw/zinc/01/73/52/646017352.db2.gz	OWGJNJQGLUXREZ-UHFFFAOYSA-N	-1	0	259.265	0.494	20	30		CCEDRM
Cc1c(F)cc(S(=O)(=O)N2CC(C#N)C2)cc1C(=O)[O-]	ZINC000871967399	646200486	/nfs/dbraw/zinc/20/04/86/646200486.db2.gz	OHXUDFZUBVNDOM-UHFFFAOYSA-N	-1	0	298.295	0.976	20	30		CCEDRM
C[C@H](C#N)Cn1[n-]c2c(c1=O)CC1(CC2)OCCO1	ZINC000887284906	648087957	/nfs/dbraw/zinc/08/79/57/648087957.db2.gz	DSFMAUYTLVGFSH-NXEZZACHSA-N	-1	0	263.297	0.887	20	30		CCEDRM
CN(C)C(=O)c1ccc(C(=O)[N-]S(C)(=O)=O)cc1	ZINC000077558736	649448224	/nfs/dbraw/zinc/44/82/24/649448224.db2.gz	CUDDKMHZAWEKDL-UHFFFAOYSA-N	-1	0	270.310	0.653	20	30		CCEDRM
Cn1cc(C(N)=O)cc1C(=O)[N-]S(=O)(=O)CCCF	ZINC000088817687	649645074	/nfs/dbraw/zinc/64/50/74/649645074.db2.gz	HDYULVNPYZJXCK-UHFFFAOYSA-N	-1	0	291.304	0.118	20	30		CCEDRM
C=C[C@@](C)(CC)C(=O)NCCN(C)Cc1n[nH]c(=O)[n-]1	ZINC001266321065	790503055	/nfs/dbraw/zinc/50/30/55/790503055.db2.gz	QCEVUYKIDBHLJK-ZDUSSCGKSA-N	-1	0	281.360	0.661	20	30		CCEDRM
N#Cc1ccc([O-])c(CN2CC3(C2)CS(=O)C3)c1	ZINC001232675782	805969212	/nfs/dbraw/zinc/96/92/12/805969212.db2.gz	VGGIIVMNTGJKTC-UHFFFAOYSA-N	-1	0	262.334	0.828	20	30		CCEDRM
C=CCc1c(Cl)ncnc1N[C@@H]1CO[N-]C1=O	ZINC001167506773	791485050	/nfs/dbraw/zinc/48/50/50/791485050.db2.gz	UTLGNKMRPRRDQY-SSDOTTSWSA-N	-1	0	254.677	0.700	20	30		CCEDRM
N#Cc1cc2ccc(OC(=O)[C@@H](O)CC(=O)[O-])cc2[nH]1	ZINC001233996035	806164639	/nfs/dbraw/zinc/16/46/39/806164639.db2.gz	HQNDGOUDQZBYAG-NSHDSACASA-N	-1	0	274.232	0.781	20	30		CCEDRM
C#C[C@@H](C)Oc1c(C(=O)OC)n[n-]c1C(=O)OC	ZINC001234185915	806198143	/nfs/dbraw/zinc/19/81/43/806198143.db2.gz	GOOTWRSPKRRGQF-ZCFIWIBFSA-N	-1	0	252.226	0.383	20	30		CCEDRM
CC[C@H](C)CN(C)c1[n-]c(=O)n(C)c(=O)c1C#N	ZINC001120897079	798956904	/nfs/dbraw/zinc/95/69/04/798956904.db2.gz	ZEVRVEVBBRTDRS-QMMMGPOBSA-N	-1	0	250.302	0.428	20	30		CCEDRM
C=C[C@@H](C)O[N-]C(=O)C(=O)Nc1nnn(C)c1C(F)F	ZINC001120994983	798979924	/nfs/dbraw/zinc/97/99/24/798979924.db2.gz	OYWMYEBQSUQTDQ-RXMQYKEDSA-N	-1	0	289.242	0.314	20	30		CCEDRM
CNC(=O)C(C#N)=C([O-])c1ccc(CN2CCOCC2)o1	ZINC001122516624	799255279	/nfs/dbraw/zinc/25/52/79/799255279.db2.gz	PXUPGSUSTKAHAG-NSHDSACASA-N	-1	0	291.307	0.180	20	30		CCEDRM
Cc1cc(C#N)c(=O)[n-]c1C(=O)NOCC(F)F	ZINC001138157418	799704231	/nfs/dbraw/zinc/70/42/31/799704231.db2.gz	JZVMUQGYOIYVFV-UHFFFAOYSA-N	-1	0	257.196	0.894	20	30		CCEDRM
C=C(C)C(=O)Nc1ccc2c(c1)S(=O)(=O)[N-]C2=O	ZINC001142516151	800127575	/nfs/dbraw/zinc/12/75/75/800127575.db2.gz	RBBNCBWXDQSEHU-UHFFFAOYSA-N	-1	0	266.278	0.633	20	30		CCEDRM
N#Cc1cc(NC(=O)[C@H]2CNC(=O)C2)c([O-])cc1F	ZINC001143296773	800225437	/nfs/dbraw/zinc/22/54/37/800225437.db2.gz	FLKJUQVQPPITGJ-SSDOTTSWSA-N	-1	0	263.228	0.478	20	30		CCEDRM
C[C@@H](C#N)N(C)C(=O)c1c[n-]c2cccnc2c1=O	ZINC001153856264	800679495	/nfs/dbraw/zinc/67/94/95/800679495.db2.gz	SRBYRNXYWQDJEN-QMMMGPOBSA-N	-1	0	256.265	0.907	20	30		CCEDRM
N#Cc1cc(Cl)nnc1N[C@@H]1SC(=O)[N-]C1=O	ZINC001155837063	801062760	/nfs/dbraw/zinc/06/27/60/801062760.db2.gz	ISYOJTFFTAKZIK-SSDOTTSWSA-N	-1	0	269.673	0.723	20	30		CCEDRM
N#Cc1cnc(Cl)cc1C(F)(F)N[C@@H]1CO[N-]C1=O	ZINC001156694730	801214464	/nfs/dbraw/zinc/21/44/64/801214464.db2.gz	IWBOENBJIUVJPY-SSDOTTSWSA-N	-1	0	288.641	0.676	20	30		CCEDRM
Cc1ccc(N[C@@H]2C(=O)N(S(=O)(=O)[O-])[C@H]2C)nc1C#N	ZINC001157071502	801294399	/nfs/dbraw/zinc/29/43/99/801294399.db2.gz	VHSPOMVETVHKHD-XVKPBYJWSA-N	-1	0	296.308	0.076	20	30		CCEDRM
N#Cc1ccc(NC(=N)SCCS(=O)(=O)[O-])nc1	ZINC001157322138	801352476	/nfs/dbraw/zinc/35/24/76/801352476.db2.gz	RHLHQCDNSHYXDO-UHFFFAOYSA-N	-1	0	286.338	0.921	20	30		CCEDRM
C=C[C@@H](CC)CC(=O)Nc1n[n-]c(S(C)(=O)=O)n1	ZINC001160665413	801993696	/nfs/dbraw/zinc/99/36/96/801993696.db2.gz	XDLBRGXGFHRTTR-ZETCQYMHSA-N	-1	0	272.330	0.749	20	30		CCEDRM
C=C(CO)C(=O)N[C@@H](c1nc(=O)o[n-]1)C(C)(C)C	ZINC001162934241	802440527	/nfs/dbraw/zinc/44/05/27/802440527.db2.gz	BWPQAUIXTBFMLO-ZETCQYMHSA-N	-1	0	255.274	0.115	20	30		CCEDRM
Cn1cc(S(=O)(=O)[N-]c2cc(C#N)ccn2)cn1	ZINC001259820042	808774830	/nfs/dbraw/zinc/77/48/30/808774830.db2.gz	UNZJUNUQCQRHRS-UHFFFAOYSA-N	-1	0	263.282	0.488	20	30		CCEDRM
C#C[C@H](Nc1[n-]c(=O)n(C)c(=O)c1C#N)c1ccccc1	ZINC001163581420	802573357	/nfs/dbraw/zinc/57/33/57/802573357.db2.gz	CAZXWGGNCBZPEG-LBPRGKRZSA-N	-1	0	280.287	0.732	20	30		CCEDRM
COc1ccc(C#N)c(-c2cnn(CC(=O)[O-])c2)n1	ZINC001242186473	806997242	/nfs/dbraw/zinc/99/72/42/806997242.db2.gz	AXPDTSXMYAJRSH-UHFFFAOYSA-N	-1	0	258.237	0.910	20	30		CCEDRM
C#CCN(CC(=O)[O-])S(=O)(=O)c1ccc(C)cc1F	ZINC000404995370	803861272	/nfs/dbraw/zinc/86/12/72/803861272.db2.gz	FZAKOCRGWIIZJK-UHFFFAOYSA-N	-1	0	285.296	0.843	20	30		CCEDRM
C=C[C@H]1C[C@H](NS(=O)(=O)[C@H]2CC[C@H]2C(=O)[O-])CCO1	ZINC001465113957	804137558	/nfs/dbraw/zinc/13/75/58/804137558.db2.gz	BFCKRTFEFASXPO-YTWAJWBKSA-N	-1	0	289.353	0.503	20	30		CCEDRM
C=CCC[C@H](NC(=O)NCc1ccn(C)n1)C(=O)[O-]	ZINC000316183927	804679006	/nfs/dbraw/zinc/67/90/06/804679006.db2.gz	XEOGGBDSNXCCKN-JTQLQIEISA-N	-1	0	266.301	0.639	20	30		CCEDRM
C=CCC[C@H](NC(=O)NCCc1ccn(C)n1)C(=O)[O-]	ZINC000316566532	804710463	/nfs/dbraw/zinc/71/04/63/804710463.db2.gz	FYCOQRNKDUSWPU-NSHDSACASA-N	-1	0	280.328	0.681	20	30		CCEDRM
N#Cc1ccc(C(=O)N2CCC3(C[C@@H]3C(N)=O)CC2)c([O-])c1	ZINC001276865339	804956627	/nfs/dbraw/zinc/95/66/27/804956627.db2.gz	WQZIGAOADLPDMX-GFCCVEGCSA-N	-1	0	299.330	0.991	20	30		CCEDRM
CC[C@H](C#CC(=O)OC)OCCCS(=O)(=O)[O-]	ZINC001224900778	805090733	/nfs/dbraw/zinc/09/07/33/805090733.db2.gz	YVOITGCJHCDZFJ-SECBINFHSA-N	-1	0	264.299	0.236	20	30		CCEDRM
N#Cc1cccnc1OC(=O)[C@H](O)CCC(=O)[O-]	ZINC001225406282	805126113	/nfs/dbraw/zinc/12/61/13/805126113.db2.gz	RZZNNPRGXYDMHN-MRVPVSSYSA-N	-1	0	250.210	0.084	20	30		CCEDRM
CN1[C@@H]2C[C@@H](Oc3nc(Cl)cc(=O)[n-]3)C[C@H]1[C@@H]1O[C@@H]12	ZINC001225562614	805140570	/nfs/dbraw/zinc/14/05/70/805140570.db2.gz	KAOPLGRRINVNMN-QBEQFSANSA-N	-1	0	283.715	0.827	20	30		CCEDRM
C=C[C@H](Oc1nc(C(=O)OC)cc(=O)[n-]1)C(=O)OC	ZINC001225729631	805153499	/nfs/dbraw/zinc/15/34/99/805153499.db2.gz	BTTMSGNDZHAHFU-ZETCQYMHSA-N	-1	0	268.225	0.075	20	30		CCEDRM
COc1cccc(CC#N)c1OC(=O)[C@H](O)CCC(=O)[O-]	ZINC001225843010	805169632	/nfs/dbraw/zinc/16/96/32/805169632.db2.gz	TWLMWJNNRCPBAX-SNVBAGLBSA-N	-1	0	293.275	0.892	20	30		CCEDRM
C#C[C@H](Oc1[n-]c(=O)c(F)cc1C#N)C(=O)OCC	ZINC001226009044	805186351	/nfs/dbraw/zinc/18/63/51/805186351.db2.gz	QUZJFXMKBIAPET-VIFPVBQESA-N	-1	0	264.212	0.742	20	30		CCEDRM
O=C1C=C[C@@H](Oc2ccc(O)cc2S(=O)(=O)[O-])C1	ZINC001226412251	805228039	/nfs/dbraw/zinc/22/80/39/805228039.db2.gz	FWFLKPZQCWJNRC-SECBINFHSA-N	-1	0	270.262	0.915	20	30		CCEDRM
C=CCOC[C@@H](CS(=O)(=O)[O-])Oc1cncc(C#N)c1	ZINC001226685504	805264533	/nfs/dbraw/zinc/26/45/33/805264533.db2.gz	BYXOVEGAXXGDRX-LBPRGKRZSA-N	-1	0	298.320	0.791	20	30		CCEDRM
C=C(C)C(=O)OC[C@H](C)Oc1[n-]c(=O)nc2nc[nH]c21	ZINC001227068726	805317721	/nfs/dbraw/zinc/31/77/21/805317721.db2.gz	CKNCBTTVJFRYAJ-ZETCQYMHSA-N	-1	0	278.268	0.945	20	30		CCEDRM
C#CC(C#C)Oc1nc(SC)[n-]c(=O)c1[N+](=O)[O-]	ZINC001227628028	805374359	/nfs/dbraw/zinc/37/43/59/805374359.db2.gz	KWRUOTYJIWXEKB-UHFFFAOYSA-N	-1	0	265.250	0.826	20	30		CCEDRM
C=C[C@@H](Oc1[n-]c(=O)nc2ncn(C)c21)C(=O)OC	ZINC001228674416	805467053	/nfs/dbraw/zinc/46/70/53/805467053.db2.gz	NEWHCWUOLWDHLX-ZCFIWIBFSA-N	-1	0	264.241	0.175	20	30		CCEDRM
N#Cc1cc(F)c(F)cc1OC(=O)[C@H](O)CCC(=O)[O-]	ZINC001229838054	805559492	/nfs/dbraw/zinc/55/94/92/805559492.db2.gz	DSFOHWNJSFZEIU-SECBINFHSA-N	-1	0	285.202	0.968	20	30		CCEDRM
CN1CC[C@]2(CCN(C(=O)c3ccc([O-])c(C#N)c3)C2)C1=O	ZINC001272219238	815116245	/nfs/dbraw/zinc/11/62/45/815116245.db2.gz	LDOVSZKMHOHYJW-MRXNPFEDSA-N	-1	0	299.330	0.958	20	30		CCEDRM
C[C@H]1C[C@H]1C(=O)N=C1NS(=O)(=O)c2ccccc21	ZINC001251141088	807669384	/nfs/dbraw/zinc/66/93/84/807669384.db2.gz	OBHVEIFWAYQOKL-IONNQARKSA-N	-1	0	264.306	0.908	20	30		CCEDRM
C#CC[C@H]([N-]S(=O)(=O)CC(F)(F)F)C(=O)OC	ZINC001253235518	808038823	/nfs/dbraw/zinc/03/88/23/808038823.db2.gz	SZBLLSQVOJXVMV-LURJTMIESA-N	-1	0	273.232	0.033	20	30		CCEDRM
CCCS(=O)(=O)[N-]c1c(C#N)cnc2ccnn21	ZINC001253618221	808096880	/nfs/dbraw/zinc/09/68/80/808096880.db2.gz	CSXTZZMHYBFZNP-UHFFFAOYSA-N	-1	0	265.298	0.753	20	30		CCEDRM
C=CC[C@@H](NC(=O)c1cnn2cccnc12)C(=O)[O-]	ZINC001256560836	808533256	/nfs/dbraw/zinc/53/32/56/808533256.db2.gz	WIGZEFYACVTRGB-SECBINFHSA-N	-1	0	260.253	0.488	20	30		CCEDRM
Cn1cnc([N-]S(=O)(=O)c2ccc(C#N)cc2)n1	ZINC001258026440	808651202	/nfs/dbraw/zinc/65/12/02/808651202.db2.gz	ANEWJHIWWVDURI-UHFFFAOYSA-N	-1	0	263.282	0.488	20	30		CCEDRM
COC(=O)CS(=O)(=O)[N-]c1ccsc1C#N	ZINC001259019086	808719473	/nfs/dbraw/zinc/71/94/73/808719473.db2.gz	SSVCDQPKJGFORT-UHFFFAOYSA-N	-1	0	260.296	0.534	20	30		CCEDRM
Cn1cnc(C#N)c1[N-]S(=O)(=O)c1ccccn1	ZINC001259282873	808748360	/nfs/dbraw/zinc/74/83/60/808748360.db2.gz	LXRVZSBTQJRVEF-UHFFFAOYSA-N	-1	0	263.282	0.488	20	30		CCEDRM
CCn1cc(S(=O)(=O)[N-]c2ccnc(C#N)c2)cn1	ZINC001259832043	808782471	/nfs/dbraw/zinc/78/24/71/808782471.db2.gz	BGJAJDZSYSKWQS-UHFFFAOYSA-N	-1	0	277.309	0.392	20	30		CCEDRM
CCn1cc(S(=O)(=O)[N-]c2nnccc2C#N)cn1	ZINC001259833386	808783879	/nfs/dbraw/zinc/78/38/79/808783879.db2.gz	PCSOZWYYQSMYSN-UHFFFAOYSA-N	-1	0	278.297	0.365	20	30		CCEDRM
COCCS(=O)(=O)[N-]c1c(C#N)cccc1C#N	ZINC001259971122	808832715	/nfs/dbraw/zinc/83/27/15/808832715.db2.gz	VQSGPRRAQWHOBC-UHFFFAOYSA-N	-1	0	265.294	0.818	20	30		CCEDRM
Cc1n[nH]c(C)c1S(=O)(=O)[N-]c1nnccc1C#N	ZINC001261024464	808899375	/nfs/dbraw/zinc/89/93/75/808899375.db2.gz	YLFCRAOLCSDQNX-UHFFFAOYSA-N	-1	0	278.297	0.489	20	30		CCEDRM
C=CC[C@H](NC(=O)[C@@H](C)Cc1c[nH]cn1)C(=O)[O-]	ZINC001261843352	809106590	/nfs/dbraw/zinc/10/65/90/809106590.db2.gz	DEFSCHXATSNQKM-WPRPVWTQSA-N	-1	0	251.286	0.734	20	30		CCEDRM
C=CCOC[C@H](NCc1cnn(CC)n1)C(=O)[O-]	ZINC001262157824	809210721	/nfs/dbraw/zinc/21/07/21/809210721.db2.gz	PCBAAOXVSDSQOD-JTQLQIEISA-N	-1	0	254.290	0.043	20	30		CCEDRM
C=C[C@H](COC)NS(=O)(=O)c1ccc(CC(=O)[O-])cc1	ZINC001262205440	809241317	/nfs/dbraw/zinc/24/13/17/809241317.db2.gz	SNPYQVQXHLXHNN-LLVKDONJSA-N	-1	0	299.348	0.793	20	30		CCEDRM
Cn1c(=O)[n-]c(NCCC2(F)CCC2)c(C#N)c1=O	ZINC001262696738	809397548	/nfs/dbraw/zinc/39/75/48/809397548.db2.gz	QDVNTHJEKNBLDE-UHFFFAOYSA-N	-1	0	266.276	0.639	20	30		CCEDRM
C#CCN(CC)c1nnc(-c2c[n-]n(CC)c2=O)n1C	ZINC001262913144	809422303	/nfs/dbraw/zinc/42/23/03/809422303.db2.gz	XHWIQAXTVORBGV-UHFFFAOYSA-N	-1	0	274.328	0.864	20	30		CCEDRM
CNC(=O)C(C#N)=C([O-])c1ccc2oc(=O)[nH]c2c1	ZINC001263293915	809504242	/nfs/dbraw/zinc/50/42/42/809504242.db2.gz	FGADHWSHGFKUNI-ZETCQYMHSA-N	-1	0	259.221	0.602	20	30		CCEDRM
COc1nn(C)cc1C([O-])=C(C#N)C(=O)N1CCCC1	ZINC001263303504	809505134	/nfs/dbraw/zinc/50/51/34/809505134.db2.gz	ZFZGJRRKSHJIIR-SECBINFHSA-N	-1	0	276.296	0.374	20	30		CCEDRM
C=C1CC(C)(C(=O)NCCCN(C)Cc2n[nH]c(=O)[n-]2)C1	ZINC001265033326	809696852	/nfs/dbraw/zinc/69/68/52/809696852.db2.gz	DBWQNCRHUZJWCR-UHFFFAOYSA-N	-1	0	293.371	0.805	20	30		CCEDRM
C=CCOc1cccnc1C(=O)N(C)c1nnn[n-]1	ZINC001279187797	809972867	/nfs/dbraw/zinc/97/28/67/809972867.db2.gz	LNPHILPYUUDJAA-UHFFFAOYSA-N	-1	0	260.257	0.436	20	30		CCEDRM
C#CCN(CC#C)S(=O)(=O)c1ccc(O)c(C(=O)[O-])c1	ZINC000708434195	811152814	/nfs/dbraw/zinc/15/28/14/811152814.db2.gz	XZMGWGVDIHFDJL-UHFFFAOYSA-N	-1	0	293.300	0.348	20	30		CCEDRM
Cc1cc(C#N)cnc1N[C@@H]1C(=O)N(S(=O)(=O)[O-])[C@H]1C	ZINC001167859412	812320984	/nfs/dbraw/zinc/32/09/84/812320984.db2.gz	QYAKXMDWLNPPDJ-CBAPKCEASA-N	-1	0	296.308	0.076	20	30		CCEDRM
N#Cc1cccc(NC(=N)SCCS(=O)(=O)[O-])n1	ZINC001168090015	814620062	/nfs/dbraw/zinc/62/00/62/814620062.db2.gz	BTOIGCCDGOYUOR-UHFFFAOYSA-N	-1	0	286.338	0.921	20	30		CCEDRM
C#CC[C@@H](NC(=O)c1cn2c(n1)CCCC2)C(=O)[O-]	ZINC000696145940	816006674	/nfs/dbraw/zinc/00/66/74/816006674.db2.gz	GFFYQTRFGRBCKZ-SECBINFHSA-N	-1	0	261.281	0.426	20	30		CCEDRM
C=CCC[C@H](NC(=O)N[C@H]1COC[C@@H]1C)C(=O)[O-]	ZINC000699543265	816773516	/nfs/dbraw/zinc/77/35/16/816773516.db2.gz	ZSRQMUPOOLBJLA-GUBZILKMSA-N	-1	0	256.302	0.740	20	30		CCEDRM
N#CCCC(=O)NCCNC(=O)C(F)(F)Br	ZINC001143206122	819193704	/nfs/dbraw/zinc/19/37/04/819193704.db2.gz	CQKBURIHOSJUPE-UHFFFAOYSA-N	-1	0	298.087	0.510	20	30		CCEDRM
C#CCCCCC(=O)N1CCO[C@@](C)(C(=O)[O-])C1	ZINC000711565221	820051376	/nfs/dbraw/zinc/05/13/76/820051376.db2.gz	OMRYFWAAENISRF-CYBMUJFWSA-N	-1	0	253.298	0.882	20	30		CCEDRM
Cc1nc(C#N)cnc1[N-]S(=O)(=O)c1c[nH]cn1	ZINC001187731316	844753511	/nfs/dbraw/zinc/75/35/11/844753511.db2.gz	YWOBHPFZQPIQAK-UHFFFAOYSA-N	-1	0	264.270	0.181	20	30		CCEDRM
O=C(CCC(=O)N1CCn2cnnc2C1)C1=CC=C[CH]1	ZINC001184241477	844186155	/nfs/dbraw/zinc/18/61/55/844186155.db2.gz	OKPACSLHEWKPHI-UHFFFAOYSA-N	-1	0	271.300	0.670	20	30		CCEDRM
O=C(CCC(=O)C1=CC=C[CH]1)NCCCc1c[nH][nH]c1=O	ZINC001184243557	844187484	/nfs/dbraw/zinc/18/74/84/844187484.db2.gz	GWDLTHHOKLJYGY-GFCCVEGCSA-N	-1	0	288.327	0.664	20	30		CCEDRM
O=C(CCC(=O)C1=CC=C[CH]1)N[C@@H]1C=CS(=O)(=O)C1	ZINC001184245104	844187672	/nfs/dbraw/zinc/18/76/72/844187672.db2.gz	ZPUKMUFYGSVRPM-LLVKDONJSA-N	-1	0	280.325	0.463	20	30		CCEDRM
O=C(CCC(=O)C1=CC=C[CH]1)N[C@H]1C=CS(=O)(=O)C1	ZINC001184245106	844187835	/nfs/dbraw/zinc/18/78/35/844187835.db2.gz	ZPUKMUFYGSVRPM-NSHDSACASA-N	-1	0	280.325	0.463	20	30		CCEDRM
N#C[C@@H]1COCCN1C(=O)c1[nH]c(=O)ccc1Cl	ZINC001184807952	844289347	/nfs/dbraw/zinc/28/93/47/844289347.db2.gz	QSDUVLKZXMCJKT-SSDOTTSWSA-N	-1	0	267.672	0.231	20	30		CCEDRM
CSc1ncc([O-])c(C(=O)N2CCO[C@H](C#N)C2)n1	ZINC001185176785	844355608	/nfs/dbraw/zinc/35/56/08/844355608.db2.gz	NXGMTVZDHNHQKB-SSDOTTSWSA-N	-1	0	280.309	0.269	20	30		CCEDRM
N#C[C@@H](Nc1nc[n-]c2nc(=S)sc1-2)C(N)=O	ZINC001159474263	839254404	/nfs/dbraw/zinc/25/44/04/839254404.db2.gz	CXTKEMFLCYTYDL-GSVOUGTGSA-N	-1	0	266.311	0.164	20	30		CCEDRM
N#Cc1cccnc1NCCNC(=O)c1c[n-]ncc1=O	ZINC001136423986	839616470	/nfs/dbraw/zinc/61/64/70/839616470.db2.gz	FPKMOHMGCNTULL-UHFFFAOYSA-N	-1	0	284.279	0.291	20	30		CCEDRM
CCC[C@@H](C#N)NC(=O)c1cccc(-n2[n-]nnc2=N)c1	ZINC001136475580	839628926	/nfs/dbraw/zinc/62/89/26/839628926.db2.gz	KTIBRSIAZNZVEK-JTQLQIEISA-N	-1	0	285.311	0.497	20	30		CCEDRM
COc1ccc(C#N)cc1NC(=O)Cc1nnn[n-]1	ZINC001176844389	842418560	/nfs/dbraw/zinc/41/85/60/842418560.db2.gz	AQMQTXRUFCWACG-UHFFFAOYSA-N	-1	0	258.241	0.261	20	30		CCEDRM
N#C[C@H](Cc1cccs1)C(=O)N[C@@H]1SC(=O)[N-]C1=O	ZINC001177916274	842707196	/nfs/dbraw/zinc/70/71/96/842707196.db2.gz	FODZKAOEZREDJL-QUBYGPBYSA-N	-1	0	295.345	0.856	20	30		CCEDRM
CCOCCS(=O)(=O)[N-]c1nnccc1C#N	ZINC001187249876	844689218	/nfs/dbraw/zinc/68/92/18/844689218.db2.gz	JGHUSVVAFDWAQD-UHFFFAOYSA-N	-1	0	256.287	0.126	20	30		CCEDRM
Cc1nc(C#N)ccc1[N-]S(=O)(=O)c1c[nH]cn1	ZINC001187730403	844751567	/nfs/dbraw/zinc/75/15/67/844751567.db2.gz	GPHCAKMCXMRMAI-UHFFFAOYSA-N	-1	0	263.282	0.786	20	30		CCEDRM
N#CCc1cccc(C(=O)NCS(=O)(=O)[O-])c1	ZINC001188688335	844949864	/nfs/dbraw/zinc/94/98/64/844949864.db2.gz	UQPVQHUKZQHLDY-UHFFFAOYSA-N	-1	0	254.267	0.328	20	30		CCEDRM
Cc1ccnc(C#N)c1[N-]S(=O)(=O)c1ncc[nH]1	ZINC001190694777	845471432	/nfs/dbraw/zinc/47/14/32/845471432.db2.gz	ZKRVZYGUGRIVIP-UHFFFAOYSA-N	-1	0	263.282	0.786	20	30		CCEDRM
COc1cc(C#N)ccc1C(=O)NCc1n[nH]c(=O)[n-]1	ZINC001192268312	845811044	/nfs/dbraw/zinc/81/10/44/845811044.db2.gz	IZWMTLAPGLAZFD-UHFFFAOYSA-N	-1	0	273.252	0.321	20	30		CCEDRM
N#Cc1ccc(C(=O)N[C@@H]2SC(=O)[N-]C2=O)o1	ZINC001192684065	845891476	/nfs/dbraw/zinc/89/14/76/845891476.db2.gz	OLGRDMULLGKBPJ-MRVPVSSYSA-N	-1	0	251.223	0.190	20	30		CCEDRM
COC(=O)c1scnc1[N-]S(=O)(=O)CC#N	ZINC001192938779	845941574	/nfs/dbraw/zinc/94/15/74/845941574.db2.gz	HAPSTAFMMBOJMP-UHFFFAOYSA-N	-1	0	261.284	0.195	20	30		CCEDRM
COC(=O)c1cc(O)cc([N-]S(=O)(=O)CC#N)c1	ZINC001192982264	845943148	/nfs/dbraw/zinc/94/31/48/845943148.db2.gz	MOHQJOOQLDIPBB-UHFFFAOYSA-N	-1	0	270.266	0.444	20	30		CCEDRM
N#CCS(=O)(=O)[N-]c1cc(F)cc(F)c1CO	ZINC001192986256	845945398	/nfs/dbraw/zinc/94/53/98/845945398.db2.gz	VKBKGLNDHLJREY-UHFFFAOYSA-N	-1	0	262.237	0.722	20	30		CCEDRM
N#CCS(=O)(=O)[N-]c1cccc2c1C(=O)NCC2	ZINC001192985432	845945578	/nfs/dbraw/zinc/94/55/78/845945578.db2.gz	DGFAAFVIFKOSMO-UHFFFAOYSA-N	-1	0	265.294	0.238	20	30		CCEDRM
CN1CCc2ccc([N-]S(=O)(=O)CC#N)cc2C1=O	ZINC001192986257	845945681	/nfs/dbraw/zinc/94/56/81/845945681.db2.gz	VKJARYSAAFVKCK-UHFFFAOYSA-N	-1	0	279.321	0.580	20	30		CCEDRM
CCOC(=O)[C@H](CC(C)(C)F)[N-]S(=O)(=O)CC#N	ZINC001192995749	845950036	/nfs/dbraw/zinc/95/00/36/845950036.db2.gz	KZPLPQSCHWGWGL-QMMMGPOBSA-N	-1	0	280.321	0.499	20	30		CCEDRM
N#CCS(=O)(=O)[N-]c1cccc2c1NC(=O)CO2	ZINC001192979080	845961702	/nfs/dbraw/zinc/96/17/02/845961702.db2.gz	XGOPLYASICYZHJ-UHFFFAOYSA-N	-1	0	267.266	0.283	20	30		CCEDRM
C[C@@H](C#N)S(=O)(=O)[N-]c1cccn2ccnc12	ZINC001193104991	845978188	/nfs/dbraw/zinc/97/81/88/845978188.db2.gz	PVOANEWWCAGHJI-QMMMGPOBSA-N	-1	0	250.283	0.988	20	30		CCEDRM
COc1ccc([N-]S(=O)(=O)[C@H](C)C#N)c(OC)n1	ZINC001193105479	845978932	/nfs/dbraw/zinc/97/89/32/845978932.db2.gz	XLBAWHOAONCTAL-SSDOTTSWSA-N	-1	0	271.298	0.753	20	30		CCEDRM
C[C@@H](C#N)S(=O)(=O)[N-]c1ccc(S(C)(=O)=O)nc1	ZINC001193105478	845979014	/nfs/dbraw/zinc/97/90/14/845979014.db2.gz	XKIMPLZVDFPJHT-ZETCQYMHSA-N	-1	0	289.338	0.139	20	30		CCEDRM
C[C@@H](C#N)S(=O)(=O)[N-]c1cn2ccccc2n1	ZINC001193111440	845981481	/nfs/dbraw/zinc/98/14/81/845981481.db2.gz	HEDZFCSRQKVCOU-QMMMGPOBSA-N	-1	0	250.283	0.988	20	30		CCEDRM
CCOC(=O)c1nc([N-]S(=O)(=O)[C@H](C)C#N)cn1C	ZINC001193113094	845982630	/nfs/dbraw/zinc/98/26/30/845982630.db2.gz	ZGMCPRLBPNVOGV-SSDOTTSWSA-N	-1	0	286.313	0.251	20	30		CCEDRM
C[C@H](C#N)S(=O)(=O)[N-]c1cccc2c1NC(=O)CO2	ZINC001193151497	846006762	/nfs/dbraw/zinc/00/67/62/846006762.db2.gz	QXVDQVKVEAUWNV-SSDOTTSWSA-N	-1	0	281.293	0.671	20	30		CCEDRM
N#Cc1ccnnc1[N-]S(=O)(=O)C[C@H]1CCCO1	ZINC001193214256	846021608	/nfs/dbraw/zinc/02/16/08/846021608.db2.gz	VXPJLNJUDHSXDV-SECBINFHSA-N	-1	0	268.298	0.269	20	30		CCEDRM
N#Cc1cc(C(=O)N2C[C@@H]3C[C@H]2C(=O)O3)ccc1[O-]	ZINC001193505331	846100906	/nfs/dbraw/zinc/10/09/06/846100906.db2.gz	YVMVYBLGIUFTME-UWVGGRQHSA-N	-1	0	258.233	0.404	20	30		CCEDRM
COC(=O)[C@]1(F)CCN(C(=O)c2ccc([O-])c(C#N)c2)C1	ZINC001193507396	846101815	/nfs/dbraw/zinc/10/18/15/846101815.db2.gz	VYMRTRXRYBEZFS-AWEZNQCLSA-N	-1	0	292.266	0.991	20	30		CCEDRM
N#Cc1cc(C(=O)NCc2cncnc2)ccc1[O-]	ZINC001193511960	846101910	/nfs/dbraw/zinc/10/19/10/846101910.db2.gz	HZSGHOTXPNBWML-UHFFFAOYSA-N	-1	0	254.249	0.984	20	30		CCEDRM
Cn1ccnc1S(=O)(=O)[N-]c1ncccc1C#N	ZINC001193555047	846116467	/nfs/dbraw/zinc/11/64/67/846116467.db2.gz	KVUKXPZJHXWCHQ-UHFFFAOYSA-N	-1	0	263.282	0.488	20	30		CCEDRM
Cn1ccnc1S(=O)(=O)[N-]c1cccnc1C#N	ZINC001193554924	846116508	/nfs/dbraw/zinc/11/65/08/846116508.db2.gz	JKTAAIFKFYRNMF-UHFFFAOYSA-N	-1	0	263.282	0.488	20	30		CCEDRM
CCOC(=O)[C@@H](C#N)NC(=O)c1cc(O)c([O-])c(Cl)c1	ZINC001193633986	846131634	/nfs/dbraw/zinc/13/16/34/846131634.db2.gz	NNTSSBBJUHXTSI-MRVPVSSYSA-N	-1	0	298.682	0.936	20	30		CCEDRM
CS(=O)(=O)[C@H]1C[C@H](NC(=O)c2cccc(C#N)c2[O-])C1	ZINC001193657882	846140328	/nfs/dbraw/zinc/14/03/28/846140328.db2.gz	KBJZHHFWTPHVEJ-MGCOHNPYSA-N	-1	0	294.332	0.569	20	30		CCEDRM
COC(=O)c1cc(C(=O)N=C(NC#N)c2ccncc2)n[n-]1	ZINC001194295162	846272084	/nfs/dbraw/zinc/27/20/84/846272084.db2.gz	SQJHPLFQSUNIMA-UHFFFAOYSA-N	-1	0	298.262	0.249	20	30		CCEDRM
N#Cc1cnoc1[N-]S(=O)(=O)C1CCC(=O)CC1	ZINC001194759494	846390878	/nfs/dbraw/zinc/39/08/78/846390878.db2.gz	MGJFACDGURYJBK-UHFFFAOYSA-N	-1	0	269.282	0.800	20	30		CCEDRM
N#CCc1cccc([N-]S(=O)(=O)C2COC2)n1	ZINC001195380486	846526395	/nfs/dbraw/zinc/52/63/95/846526395.db2.gz	VCENPCSMQDKACU-UHFFFAOYSA-N	-1	0	253.283	0.288	20	30		CCEDRM
N#Cc1ccc(C(=O)Nc2c(N)[nH]c(=O)[nH]c2=O)c([O-])c1	ZINC001195733747	846604055	/nfs/dbraw/zinc/60/40/55/846604055.db2.gz	VSYWBNNULSMUCN-UHFFFAOYSA-N	-1	0	287.235	0.300	20	30		CCEDRM
CN1CCOC[C@H]1CNC(=O)c1ccc(C#N)cc1[O-]	ZINC001195764314	846613782	/nfs/dbraw/zinc/61/37/82/846613782.db2.gz	JHXKUALUJLANSI-LLVKDONJSA-N	-1	0	275.308	0.324	20	30		CCEDRM
COC(=O)[C@H]1C[C@H]1CNC(=O)c1ccc(C#N)cc1[O-]	ZINC001195768259	846615538	/nfs/dbraw/zinc/61/55/38/846615538.db2.gz	KWKSOFFOPMWSFK-ONGXEEELSA-N	-1	0	274.276	0.803	20	30		CCEDRM
Cc1nnc(CNC(=O)c2ccc(C#N)cc2[O-])[nH]1	ZINC001195768495	846615831	/nfs/dbraw/zinc/61/58/31/846615831.db2.gz	MBUHREUPILGMPT-UHFFFAOYSA-N	-1	0	257.253	0.620	20	30		CCEDRM
C#Cc1nccnc1[N-]S(=O)(=O)c1ccc(O)cc1	ZINC001195766742	846616082	/nfs/dbraw/zinc/61/60/82/846616082.db2.gz	RCVQETFAQNXJNC-UHFFFAOYSA-N	-1	0	275.289	0.964	20	30		CCEDRM
N#Cc1cnc(C(=O)NCCCC[P@](=O)([O-])O)cn1	ZINC001199668136	847392394	/nfs/dbraw/zinc/39/23/94/847392394.db2.gz	POZTXXOYOXWDBN-UHFFFAOYSA-N	-1	0	284.212	0.036	20	30		CCEDRM
C=CCNC(=S)Nc1ccc(C(=O)NCC(=O)[O-])cc1	ZINC001200295825	847598841	/nfs/dbraw/zinc/59/88/41/847598841.db2.gz	QKKOZPMFXGOITQ-UHFFFAOYSA-N	-1	0	293.348	0.973	20	30		CCEDRM
O=C([N-]S(=O)(=O)c1ccccc1)[C@@H]1C[C@H]1[N+](=O)[O-]	ZINC000048407350	849134325	/nfs/dbraw/zinc/13/43/25/849134325.db2.gz	LEBZIGJDMRCVTC-RKDXNWHRSA-N	-1	0	270.266	0.997	20	30		CCEDRM
N#Cc1nccnc1NCC1CC(NC(=O)c2cn[nH]n2)C1	ZINC001067900843	853865252	/nfs/dbraw/zinc/86/52/52/853865252.db2.gz	FNPWZVCRIPKQIA-UHFFFAOYSA-N	-1	0	298.310	0.087	20	30		CCEDRM
C#CC[C@@H](NC(=O)c1cc(OC)cc(OC)c1)C(=O)[O-]	ZINC000149829748	853999886	/nfs/dbraw/zinc/99/98/86/853999886.db2.gz	GHTIDOSHKKWBMF-GFCCVEGCSA-N	-1	0	277.276	0.910	20	30		CCEDRM
C#CC[C@H](NC(=O)CN(C)C(=O)c1cccs1)C(=O)[O-]	ZINC000149945848	854008149	/nfs/dbraw/zinc/00/81/49/854008149.db2.gz	VDHCFUKAVLILSA-VIFPVBQESA-N	-1	0	294.332	0.413	20	30		CCEDRM
C#CC[C@H](NC(=O)[C@H]1Oc2ccccc2O[C@@H]1C)C(=O)[O-]	ZINC000149962358	854009685	/nfs/dbraw/zinc/00/96/85/854009685.db2.gz	OCDHLCSGPKJLLC-NRUUGDAUSA-N	-1	0	289.287	0.808	20	30		CCEDRM
C#CCN1CCN(C(=O)c2cc([O-])ccc2[N+](=O)[O-])CC1	ZINC000394935807	854267954	/nfs/dbraw/zinc/26/79/54/854267954.db2.gz	YPIBSARWOXJDHJ-UHFFFAOYSA-N	-1	0	289.291	0.691	20	30		CCEDRM
C=CC[C@H](NC(=O)c1c(OC)ncnc1OC)C(=O)[O-]	ZINC001116922692	855868020	/nfs/dbraw/zinc/86/80/20/855868020.db2.gz	YIIKTVRTIJVCLV-ZETCQYMHSA-N	-1	0	281.268	0.253	20	30		CCEDRM
CNC(=O)CCCCC(=O)Nc1nc(C#N)c(C#N)[n-]1	ZINC001116932836	855871376	/nfs/dbraw/zinc/87/13/76/855871376.db2.gz	WCKLMCDAESWJOH-UHFFFAOYSA-N	-1	0	274.284	0.398	20	30		CCEDRM
C=CCOC[C@@H](NC(=O)C[N@@H+](CC)C1CC1)C(=O)[O-]	ZINC001119580699	856752994	/nfs/dbraw/zinc/75/29/94/856752994.db2.gz	PHOOXRISOXRLOA-LLVKDONJSA-N	-1	0	270.329	0.243	20	30		CCEDRM
C=CCCOCCNC(=O)C12CC(C(=O)[O-])(C1)C2	ZINC001119645021	856804716	/nfs/dbraw/zinc/80/47/16/856804716.db2.gz	PUZKETLUTNOBLX-UHFFFAOYSA-N	-1	0	253.298	0.950	20	30		CCEDRM
CC(=NNc1nnc(C)c(=O)[n-]1)c1cn(C)nc1C	ZINC001323442191	912347246	/nfs/dbraw/zinc/34/72/46/912347246.db2.gz	KNHLFFIVXIWTSK-UHFFFAOYSA-N	-1	0	261.289	0.764	20	30		CCEDRM
C=CC[C@H](CC)NC(=O)C(=O)[N-]OC[C@@H]1CCOC1	ZINC001324711128	912991121	/nfs/dbraw/zinc/99/11/21/912991121.db2.gz	QCJATRKTBSAZMR-MNOVXSKESA-N	-1	0	270.329	0.542	20	30		CCEDRM
CC(C)NC(=O)C(C#N)=C([O-])c1noc2c1COCC2	ZINC001343411799	892900456	/nfs/dbraw/zinc/90/04/56/892900456.db2.gz	SZNGFYSNRWYWPC-MRVPVSSYSA-N	-1	0	277.280	0.594	20	30		CCEDRM
C=CCCCC(=O)N1C[C@@H]2C[C@H]1CN2Cc1n[nH]c(=O)[n-]1	ZINC001481676693	892989035	/nfs/dbraw/zinc/98/90/35/892989035.db2.gz	LGLXVTZVCYMXDG-QWRGUYRKSA-N	-1	0	291.355	0.652	20	30		CCEDRM
C/C=C/n1cnc2c1ncnc2[N-]S(=O)(=O)[C@@H](C)C#N	ZINC001193106267	900031472	/nfs/dbraw/zinc/03/14/72/900031472.db2.gz	FFAZAXWTOLIHAY-RTMURIBGSA-N	-1	0	292.324	0.971	20	30		CCEDRM
C[C@H](CC#N)C(=O)[N-]S(=O)(=O)c1cccc([N+](=O)[O-])c1	ZINC001327480388	914563201	/nfs/dbraw/zinc/56/32/01/914563201.db2.gz	RBACMOKIZBJDCL-MRVPVSSYSA-N	-1	0	297.292	0.949	20	30		CCEDRM
N#Cc1cn(CC(=O)N[C@@H]2C[C@H]3CCC[C@H]32)c(=O)[n-]c1=O	ZINC001412780328	902114163	/nfs/dbraw/zinc/11/41/63/902114163.db2.gz	AAVKGRPKTOVAFN-FBIMIBRVSA-N	-1	0	288.307	0.125	20	30		CCEDRM
C#CCCCCCC(=O)N1CCC(O)(c2nnn[n-]2)CC1	ZINC001332124054	904056470	/nfs/dbraw/zinc/05/64/70/904056470.db2.gz	KWBHOCQNIHPKEM-UHFFFAOYSA-N	-1	0	291.355	0.593	20	30		CCEDRM
C#CCN1CCC[C@@H](NC(=O)c2c[n-]ncc2=O)C1	ZINC001337355022	921239631	/nfs/dbraw/zinc/23/96/31/921239631.db2.gz	FFRBZUCBZOCTGA-SNVBAGLBSA-N	-1	0	260.297	0.010	20	30		CCEDRM
CC(C)C#CC(=O)NC[C@H](NC(=O)c1cn[nH]n1)C1CC1	ZINC001294887827	906648213	/nfs/dbraw/zinc/64/82/13/906648213.db2.gz	KWIDNTUNHZPSCN-NSHDSACASA-N	-1	0	289.339	0.089	20	30		CCEDRM
C=CCCOCCNC(=O)CCCn1c(=O)[n-][nH]c1=O	ZINC001296014383	906842410	/nfs/dbraw/zinc/84/24/10/906842410.db2.gz	NQGPLKJTWFDTSG-UHFFFAOYSA-N	-1	0	284.316	0.178	20	30		CCEDRM
C=CCCC(=O)NCC=CCNC(=O)c1[nH]nc(C)c1[O-]	ZINC001298301162	907216443	/nfs/dbraw/zinc/21/64/43/907216443.db2.gz	NRQOFZGXPNFEIF-AATRIKPKSA-N	-1	0	292.339	0.792	20	30		CCEDRM
CC(C)(CC#N)CNC(=O)CCCc1nnn[n-]1	ZINC001299140474	907395404	/nfs/dbraw/zinc/39/54/04/907395404.db2.gz	OZPWCECQOWQKQC-UHFFFAOYSA-N	-1	0	250.306	0.578	20	30		CCEDRM
CSCC[C@H](NC(=O)[C@@H](C)C#N)c1nnn[n-]1	ZINC001301159419	907954492	/nfs/dbraw/zinc/95/44/92/907954492.db2.gz	RUYYEGLSIILMEV-BQBZGAKWSA-N	-1	0	254.319	0.270	20	30		CCEDRM
C=C[C@@H]1OCC[C@H]1C(=O)N1CC[C@H](c2nnn[n-]2)C1	ZINC001302935994	908049287	/nfs/dbraw/zinc/04/92/87/908049287.db2.gz	GLKOUEPCBZUVCW-AEJSXWLSSA-N	-1	0	263.301	0.107	20	30		CCEDRM
Cc1nnccc1C(=O)Nc1nc(C#N)c(C#N)[n-]1	ZINC001320139537	910479541	/nfs/dbraw/zinc/47/95/41/910479541.db2.gz	FYRACWJQVIBOHM-UHFFFAOYSA-N	-1	0	253.225	0.504	20	30		CCEDRM
C=CCn1c(Cc2nn[nH]n2)nnc1N1CCC(F)(F)C1	ZINC001338930454	921606005	/nfs/dbraw/zinc/60/60/05/921606005.db2.gz	KYXSJUYADGPMRL-UHFFFAOYSA-N	-1	0	296.285	0.413	20	30		CCEDRM
C=CC(C)(C)CC(=O)NCC=CCNCc1n[nH]c(=O)[n-]1	ZINC001321078147	911069391	/nfs/dbraw/zinc/06/93/91/911069391.db2.gz	PTTRGDQXZZTCDD-WAYWQWQTSA-N	-1	0	293.371	0.875	20	30		CCEDRM
C=CCn1c(-c2cc(=O)[nH][n-]2)nnc1N1C[C@H](C)C[C@@H]1C	ZINC001339053874	921637861	/nfs/dbraw/zinc/63/78/61/921637861.db2.gz	CKIMCNQNSGZPHL-ZJUUUORDSA-N	-1	0	288.355	0.923	20	30		CCEDRM
C=CC[C@H](NC(=O)c1c(C)nn2cccnc12)C(=O)[O-]	ZINC001321658030	911425661	/nfs/dbraw/zinc/42/56/61/911425661.db2.gz	MEQZTJPCGOSMQF-VIFPVBQESA-N	-1	0	274.280	0.797	20	30		CCEDRM
C=C[C@](C)(O)C(=O)N[C@@H]1CCOC2(CC(C(=O)[O-])C2)C1	ZINC001339568289	921761790	/nfs/dbraw/zinc/76/17/90/921761790.db2.gz	NKMVPRBFKHWYKZ-OCDLOGQDSA-N	-1	0	283.324	0.452	20	30		CCEDRM
CC(C)OCCCN(C)c1[n-]c(=O)n(C)c(=O)c1C#N	ZINC001339589583	921768447	/nfs/dbraw/zinc/76/84/47/921768447.db2.gz	OVBCJLPSKIPIEX-UHFFFAOYSA-N	-1	0	280.328	0.197	20	30		CCEDRM
C=C(C)C[C@H](NC(C)=O)C(=O)NCCCc1c[nH][nH]c1=O	ZINC001339663216	921792777	/nfs/dbraw/zinc/79/27/77/921792777.db2.gz	MNJCYUPCQNNXCD-NEPJUHHUSA-N	-1	0	294.355	0.086	20	30		CCEDRM
C=CC[C@@H](NC(=O)[C@@H](OCC)C1CCOCC1)C(=O)[O-]	ZINC001329288243	915794903	/nfs/dbraw/zinc/79/49/03/915794903.db2.gz	NSGJFJMFTUVFQW-NEPJUHHUSA-N	-1	0	285.340	0.964	20	30		CCEDRM
C=CC[C@H](NC(=O)c1nc2ncc(C)cn2n1)C(=O)[O-]	ZINC001329809294	916199688	/nfs/dbraw/zinc/19/96/88/916199688.db2.gz	NWBCSHYAYAOQMM-QMMMGPOBSA-N	-1	0	275.268	0.192	20	30		CCEDRM
C=CCOC[C@H](NC(=O)c1cncnc1C)C(=O)[O-]	ZINC001330256081	916510058	/nfs/dbraw/zinc/51/00/58/916510058.db2.gz	YRQBMNQUCVSUKC-JTQLQIEISA-N	-1	0	265.269	0.171	20	30		CCEDRM
C=C(Cl)C[C@@H]([NH3+])C(=O)N1CCCC[C@H]1C(=O)[O-]	ZINC001331858400	917668174	/nfs/dbraw/zinc/66/81/74/917668174.db2.gz	RKDMNCNPEULFGN-BDAKNGLRSA-N	-1	0	260.721	0.922	20	30		CCEDRM
CN(C(=O)CCc1ccc(C#N)cc1)c1nnn[n-]1	ZINC001331921622	917718696	/nfs/dbraw/zinc/71/86/96/917718696.db2.gz	AIWJOQSQLLXHMO-UHFFFAOYSA-N	-1	0	256.269	0.667	20	30		CCEDRM
C=C[C@H](C)O[N-]C(=O)C(=O)Nc1c(C)ccn(C)c1=O	ZINC001332629059	918328646	/nfs/dbraw/zinc/32/86/46/918328646.db2.gz	YYXDPTIMQGSUFW-VIFPVBQESA-N	-1	0	279.296	0.255	20	30		CCEDRM
C=CCOC[C@@H](NCc1cc2n(n1)CCCC2)C(=O)[O-]	ZINC001333136690	918678971	/nfs/dbraw/zinc/67/89/71/918678971.db2.gz	HTUWCMWHGVBDQY-CYBMUJFWSA-N	-1	0	279.340	0.965	20	30		CCEDRM
C=CCCC(=O)N(C)[C@@H](C)CNC(=O)c1[nH]nc(C)c1[O-]	ZINC001334220246	919435440	/nfs/dbraw/zinc/43/54/40/919435440.db2.gz	CGQYBXFLFXRHPR-VIFPVBQESA-N	-1	0	294.355	0.967	20	30		CCEDRM
C=CCS(=O)(=O)[N-]C(=O)CCC(=O)c1cccnc1	ZINC001334241188	919448097	/nfs/dbraw/zinc/44/80/97/919448097.db2.gz	LGNJXCUXPVGKOI-UHFFFAOYSA-N	-1	0	282.321	0.677	20	30		CCEDRM
CC#CCS(=O)(=O)[N-]C(=O)Cc1sc(C)nc1C	ZINC001334259264	919465004	/nfs/dbraw/zinc/46/50/04/919465004.db2.gz	AIAQGWZJMNOQCO-UHFFFAOYSA-N	-1	0	286.378	0.772	20	30		CCEDRM
C=CCOC[C@@H](NCc1cn(CCC)nn1)C(=O)[O-]	ZINC001334777515	919761064	/nfs/dbraw/zinc/76/10/64/919761064.db2.gz	SEPLOPQDGHWTJY-LLVKDONJSA-N	-1	0	268.317	0.434	20	30		CCEDRM
C=C(C)C[C@H](NC(=O)/C=C(/C)CN1CCOCC1)C(=O)[O-]	ZINC001335003453	919892045	/nfs/dbraw/zinc/89/20/45/919892045.db2.gz	PXAJIRYWJVFTLB-SUIFULHWSA-N	-1	0	296.367	0.801	20	30		CCEDRM
C=CC[C@@H](NC(=O)c1cnn(CCCOC)c1)C(=O)[O-]	ZINC001335429333	920189412	/nfs/dbraw/zinc/18/94/12/920189412.db2.gz	ASEXCDKDMSSGCU-LLVKDONJSA-N	-1	0	281.312	0.679	20	30		CCEDRM
C#CCC1(NC(=O)NCCOCCOCC(=O)[O-])CCC1	ZINC001341329952	922429059	/nfs/dbraw/zinc/42/90/59/922429059.db2.gz	USVFRTKMWBTRJC-UHFFFAOYSA-N	-1	0	298.339	0.349	20	30		CCEDRM
C=CCC[C@@H]1CCCN1c1nnc(Cc2nn[nH]n2)n1C	ZINC001341413927	922474944	/nfs/dbraw/zinc/47/49/44/922474944.db2.gz	GQACHKVLKGMSHZ-SNVBAGLBSA-N	-1	0	288.359	0.854	20	30		CCEDRM
CNC(=O)C(C#N)=C([O-])c1ccnc(OC(F)F)c1	ZINC001341979522	922750431	/nfs/dbraw/zinc/75/04/31/922750431.db2.gz	FDGNJOIXEULEDK-ZETCQYMHSA-N	-1	0	269.207	0.751	20	30		CCEDRM
C#CC1CCN(c2nnc(-c3nn[nH]n3)n2CC(=C)C)CC1	ZINC001342533452	922993321	/nfs/dbraw/zinc/99/33/21/922993321.db2.gz	RDUOAESYFCNVAC-UHFFFAOYSA-N	-1	0	298.354	0.884	20	30		CCEDRM
C=CCN(C)c1nnc(-c2cc(=O)[nH][n-]2)n1CC(C)C	ZINC001342875595	923119943	/nfs/dbraw/zinc/11/99/43/923119943.db2.gz	TZYSKZZBPURFFQ-UHFFFAOYSA-N	-1	0	276.344	0.780	20	30		CCEDRM
C=CCNC(=O)C(C#N)=C([O-])c1cn2c(n1)CCCC2	ZINC001343468457	923331622	/nfs/dbraw/zinc/33/16/22/923331622.db2.gz	BTBLRSZHDHDAFP-JTQLQIEISA-N	-1	0	272.308	0.844	20	30		CCEDRM
CCOCCCNC(=O)C(C#N)=C([O-])c1c(C)cnn1C	ZINC001343472996	923334465	/nfs/dbraw/zinc/33/44/65/923334465.db2.gz	FIROEXJSUCYCPB-NSHDSACASA-N	-1	0	292.339	0.594	20	30		CCEDRM
Cn1ccnc1C([O-])=C(C#N)C(=O)CO[C@@H]1CCOC1	ZINC001344007530	923528992	/nfs/dbraw/zinc/52/89/92/923528992.db2.gz	ZOFZVHBEGOXGGF-ZJUUUORDSA-N	-1	0	277.280	0.117	20	30		CCEDRM
Cn1ccnc1C([O-])=C(C#N)C(=O)COCc1ccccn1	ZINC001344045526	923537258	/nfs/dbraw/zinc/53/72/58/923537258.db2.gz	UVOFYOYZMINPCG-LBPRGKRZSA-N	-1	0	298.302	0.923	20	30		CCEDRM
C[C@H](C(=O)C(C#N)=C([O-])c1nccn1C)n1cnc(C#N)n1	ZINC001344037119	923538202	/nfs/dbraw/zinc/53/82/02/923538202.db2.gz	UHGJDSQHUATSIN-RKDXNWHRSA-N	-1	0	297.278	0.036	20	30		CCEDRM
CNC(=O)C(C#N)=C([O-])c1ccc(S(C)(=O)=O)cc1	ZINC001344541726	923632441	/nfs/dbraw/zinc/63/24/41/923632441.db2.gz	NAUJANZKOMXVCS-JTQLQIEISA-N	-1	0	280.305	0.159	20	30		CCEDRM
CNC(=O)C(C#N)=C([O-])c1ccc(S(C)(=O)=O)cc1	ZINC001344541738	923632495	/nfs/dbraw/zinc/63/24/95/923632495.db2.gz	NAUJANZKOMXVCS-SNVBAGLBSA-N	-1	0	280.305	0.159	20	30		CCEDRM
COCCn1cc(C([O-])=C(C#N)C(=O)NC(C)C)cn1	ZINC001346121472	924077713	/nfs/dbraw/zinc/07/77/13/924077713.db2.gz	BIRKXBLJOLDEJF-NSHDSACASA-N	-1	0	278.312	0.377	20	30		CCEDRM
C=C(C)CO[N-]C(=O)C(=O)Nc1cnc2c(c1)COCC2	ZINC001346206580	924108714	/nfs/dbraw/zinc/10/87/14/924108714.db2.gz	HFTZKLAEFICCQF-UHFFFAOYSA-N	-1	0	291.307	0.717	20	30		CCEDRM
COc1nccc(C([O-])=C(C#N)c2nccn2C)n1	ZINC001346537266	924255927	/nfs/dbraw/zinc/25/59/27/924255927.db2.gz	IYWQTZZVHHNTDJ-QMMMGPOBSA-N	-1	0	257.253	0.709	20	30		CCEDRM
Cn1ccnc1C(=O)C(C#N)=C([O-])c1cn2c(n1)COCC2	ZINC001347246468	924407857	/nfs/dbraw/zinc/40/78/57/924407857.db2.gz	SEEHPGZVQNASEQ-VIFPVBQESA-N	-1	0	299.290	0.352	20	30		CCEDRM
CCC[C@H]1CCCN1c1[n-]c(=O)n(C)c(=O)c1C#N	ZINC001348347909	924661396	/nfs/dbraw/zinc/66/13/96/924661396.db2.gz	RJRFTONWDVIZGN-VIFPVBQESA-N	-1	0	262.313	0.714	20	30		CCEDRM
C=CCC1(O)CCN(C(=O)CCCc2nnn[n-]2)CC1	ZINC001350566490	925224997	/nfs/dbraw/zinc/22/49/97/925224997.db2.gz	JTHGWZOTICUCIV-UHFFFAOYSA-N	-1	0	279.344	0.452	20	30		CCEDRM
C=CC[C@H](NC(=O)[C@H]1CCn2ccnc2C1)C(=O)[O-]	ZINC001354046436	925996467	/nfs/dbraw/zinc/99/64/67/925996467.db2.gz	BJTFMENLQFUQPX-UWVGGRQHSA-N	-1	0	263.297	0.591	20	30		CCEDRM
CNC(=O)C(C#N)=C([O-])c1c(C)nn2cccnc12	ZINC001356003133	926333298	/nfs/dbraw/zinc/33/32/98/926333298.db2.gz	HHXDWJNRLVFORB-QMMMGPOBSA-N	-1	0	257.253	0.106	20	30		CCEDRM
C=CCNC(=O)C(C#N)=C([O-])c1cnc2c(cnn2C)c1	ZINC001356029374	926335495	/nfs/dbraw/zinc/33/54/95/926335495.db2.gz	KGJAHNWOKWLRTA-NSHDSACASA-N	-1	0	283.291	0.593	20	30		CCEDRM
N#CC(C(=O)N1CCCC1)=C([O-])c1cn2c(n1)COCC2	ZINC001356130104	926346296	/nfs/dbraw/zinc/34/62/96/926346296.db2.gz	AFZDXLHKUQOLFN-JTQLQIEISA-N	-1	0	288.307	0.358	20	30		CCEDRM
C=CC[C@H](NC(=O)Cn1ncc2cc(C)cnc21)C(=O)[O-]	ZINC001356183377	926353293	/nfs/dbraw/zinc/35/32/93/926353293.db2.gz	LVZQDELMUUFBTR-NSHDSACASA-N	-1	0	288.307	0.885	20	30		CCEDRM
C=CCCC(=O)N1CC(NC(=O)c2[nH]nc(C)c2[O-])C1	ZINC001356754488	926430983	/nfs/dbraw/zinc/43/09/83/926430983.db2.gz	UWUMRSCZNKUMOK-UHFFFAOYSA-N	-1	0	278.312	0.331	20	30		CCEDRM
COc1cc(C#N)ccc1Cn1c(=O)[n-]cc(C#N)c1=O	ZINC001421411942	926736890	/nfs/dbraw/zinc/73/68/90/926736890.db2.gz	XJKBFBZKDBFACO-UHFFFAOYSA-N	-1	0	282.259	0.337	20	30		CCEDRM
C[C@H]1COCCN1Cc1cc(=O)n2[n-]cc(C#N)c2n1	ZINC001421814454	926926960	/nfs/dbraw/zinc/92/69/60/926926960.db2.gz	LBDQOESVOUZBQQ-VIFPVBQESA-N	-1	0	273.296	0.527	20	30		CCEDRM
C=CC[C@@H](NC(=O)CCCCCNC(C)=O)C(=O)[O-]	ZINC000150014305	926944916	/nfs/dbraw/zinc/94/49/16/926944916.db2.gz	RJKSXSQZJVAINO-LLVKDONJSA-N	-1	0	270.329	0.828	20	30		CCEDRM
C=CC[C@@H](NC(=O)[C@@H]1CCCN1c1ncccn1)C(=O)[O-]	ZINC000150338349	926949485	/nfs/dbraw/zinc/94/94/85/926949485.db2.gz	VIONOXZTJABLRG-MNOVXSKESA-N	-1	0	290.323	0.591	20	30		CCEDRM
CSc1[n-]c(=O)c(C(=O)Nc2nnn(C)n2)cc1C#N	ZINC001361382096	927013026	/nfs/dbraw/zinc/01/30/26/927013026.db2.gz	IYXZAKGICRDCAO-UHFFFAOYSA-N	-1	0	291.296	0.157	20	30		CCEDRM
COCCN(CCC#N)C(=O)c1cnc(SC)[nH]c1=O	ZINC001362053598	927562380	/nfs/dbraw/zinc/56/23/80/927562380.db2.gz	ZGWMGDDXTLWZLN-UHFFFAOYSA-N	-1	0	296.352	0.906	20	30		CCEDRM
Cc1ccnc(NC(=O)Cn2cc(C#N)c(=O)[n-]c2=O)c1	ZINC001362101007	927614110	/nfs/dbraw/zinc/61/41/10/927614110.db2.gz	UJMPKJZNEUTPKK-UHFFFAOYSA-N	-1	0	285.263	0.163	20	30		CCEDRM
CS[C@H](CO)[C@H](C)NC(=O)c1[n-]c(=O)c(C#N)cc1C	ZINC001362194996	927719179	/nfs/dbraw/zinc/71/91/79/927719179.db2.gz	FPNUPEVMPJVTPJ-WCBMZHEXSA-N	-1	0	295.364	0.810	20	30		CCEDRM
COC(=O)[C@@H](CCF)NC(=O)c1[n-]c(=O)c(C#N)cc1C	ZINC001362631905	928280205	/nfs/dbraw/zinc/28/02/05/928280205.db2.gz	QFCAYCJPVJNHLQ-SECBINFHSA-N	-1	0	295.270	0.598	20	30		CCEDRM
N#Cc1ccc2c(c1)CC[C@H]2NC(=O)Cn1c(=O)[n-][nH]c1=O	ZINC001362768846	928466888	/nfs/dbraw/zinc/46/68/88/928466888.db2.gz	RLNUHMYXHNYBFA-LLVKDONJSA-N	-1	0	299.290	0.365	20	30		CCEDRM
CN(Cc1nc(=O)o[n-]1)C(=O)c1cc(C#N)ccc1F	ZINC001362839332	928556319	/nfs/dbraw/zinc/55/63/19/928556319.db2.gz	GVWBPGRQGUBCTC-UHFFFAOYSA-N	-1	0	276.227	0.646	20	30		CCEDRM
CSc1[n-]c(=O)c(C(=O)N[C@H]2CCOC2=O)cc1C#N	ZINC001362945135	928681537	/nfs/dbraw/zinc/68/15/37/928681537.db2.gz	ZWLPACWSOIHOTH-QMMMGPOBSA-N	-1	0	293.304	0.426	20	30		CCEDRM
CC(C)N1C(=O)CC[C@H]1C(=O)Nc1nc(C#N)c(C#N)[n-]1	ZINC001362966143	928706559	/nfs/dbraw/zinc/70/65/59/928706559.db2.gz	BAZVFPKCMVLOGW-JTQLQIEISA-N	-1	0	286.295	0.491	20	30		CCEDRM
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CC(C)CCCCNC(=O)Cn1cc(C#N)c(=O)[n-]c1=O	ZINC001444479901	929881115	/nfs/dbraw/zinc/88/11/15/929881115.db2.gz	MHTOBWCAVDZLQC-UHFFFAOYSA-N	-1	0	292.339	0.763	20	30		CCEDRM
C#C[C@H](CC)NC(=O)c1ccc(-n2[nH]c(=O)[n-]c2=O)cc1	ZINC001448959812	931037531	/nfs/dbraw/zinc/03/75/31/931037531.db2.gz	CRXXCOSCEIFXIS-SNVBAGLBSA-N	-1	0	286.291	0.408	20	30		CCEDRM
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C#C[C@H](CO)NC(=O)C1(C(=O)[O-])CCCCCC1	ZINC001602671257	971233048	/nfs/dbraw/zinc/23/30/48/971233048.db2.gz	AGRSUYBRVNGHLJ-SNVBAGLBSA-N	-1	0	253.298	0.522	20	30		CCEDRM
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C#C[C@@H](C)NC(=O)NC[C@H]1CCC2(CC(C(=O)[O-])C2)O1	ZINC001602673630	971241369	/nfs/dbraw/zinc/24/13/69/971241369.db2.gz	YQSYFMBZZNLIBU-FQYCYVTBSA-N	-1	0	280.324	0.720	20	30		CCEDRM
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CC[C@]1(O)CCCN(C(=O)[C@@](C)(C#N)CC(=O)[O-])C1	ZINC001589612941	949341883	/nfs/dbraw/zinc/34/18/83/949341883.db2.gz	BHCTWNQQLJVZTR-OLZOCXBDSA-N	-1	0	268.313	0.754	20	30		CCEDRM
CCC[C@@H](C#N)NC(=O)[C@@H]1CCCN(CC(=O)[O-])C1=O	ZINC001589630562	949529203	/nfs/dbraw/zinc/52/92/03/949529203.db2.gz	JEQQKPSGGMENSK-UWVGGRQHSA-N	-1	0	281.312	0.118	20	30		CCEDRM
C#C[C@@H](CC)NC(=O)NCC1(C(=O)[O-])CCOCC1	ZINC000230013170	949665826	/nfs/dbraw/zinc/66/58/26/949665826.db2.gz	GEDVRFKEKNJEKA-JTQLQIEISA-N	-1	0	268.313	0.579	20	30		CCEDRM
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CCN(CCC#N)C(=O)COC(=O)[C@]1(C(=O)[O-])CC1(C)C	ZINC001589730092	950490238	/nfs/dbraw/zinc/49/02/38/950490238.db2.gz	MSBPCBUHMZJCPF-CQSZACIVSA-N	-1	0	296.323	0.793	20	30		CCEDRM
COC[C@]1(C(=O)[O-])CCN(C(=O)CSCC#N)C1	ZINC000310937026	950719137	/nfs/dbraw/zinc/71/91/37/950719137.db2.gz	KDQIUXCPHVXUDO-NSHDSACASA-N	-1	0	272.326	0.193	20	30		CCEDRM
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C[C@H]1CCC(=O)CN1C(=O)[C@@](C)(C#N)CC(=O)[O-]	ZINC001589300485	953689999	/nfs/dbraw/zinc/68/99/99/953689999.db2.gz	WNHWWTBJTKAZRC-QPUJVOFHSA-N	-1	0	252.270	0.571	20	30		CCEDRM
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COC[C@H](C#N)OC(=O)c1ccc(C(=O)[O-])cn1	ZINC001593952573	956407630	/nfs/dbraw/zinc/40/76/30/956407630.db2.gz	YVEJUXREVNTOLK-QMMMGPOBSA-N	-1	0	250.210	0.475	20	30		CCEDRM
C[C@]1(C#N)CN(C(=O)NC2CCC(C(=O)[O-])CC2)CCO1	ZINC001589181271	956520927	/nfs/dbraw/zinc/52/09/27/956520927.db2.gz	COCGHEZBEGRESH-MGULZYLOSA-N	-1	0	295.339	0.954	20	30		CCEDRM
COCC1(CNC(=O)[C@](C)(C#N)CC(=O)[O-])CCOCC1	ZINC001593986706	956797051	/nfs/dbraw/zinc/79/70/51/956797051.db2.gz	GXZUXBZGMBBFIM-ZDUSSCGKSA-N	-1	0	298.339	0.550	20	30		CCEDRM
COCCN(Cc1ccc(C#N)cc1)C(=O)C(=O)[O-]	ZINC001594012826	957012558	/nfs/dbraw/zinc/01/25/58/957012558.db2.gz	YKBQCPRVJRPHCT-UHFFFAOYSA-N	-1	0	262.265	0.618	20	30		CCEDRM
C=CCNC(=O)NC(=O)CN(CC(=O)[O-])[C@H](C)CC	ZINC000037599314	957316592	/nfs/dbraw/zinc/31/65/92/957316592.db2.gz	ODXLFGSJRKDHOS-SECBINFHSA-N	-1	0	271.317	0.183	20	30		CCEDRM
N#CCCNS(=O)(=O)Cc1cccc(C(=O)[O-])c1	ZINC000054156407	957522727	/nfs/dbraw/zinc/52/27/27/957522727.db2.gz	UJAWYAIKQULFMT-UHFFFAOYSA-N	-1	0	268.294	0.718	20	30		CCEDRM
C[C@@H](O)[C@H](NC(=O)c1ccc(CC#N)cc1)C(=O)[O-]	ZINC000058241254	957557661	/nfs/dbraw/zinc/55/76/61/957557661.db2.gz	PYAQPQXCBHMFSL-KCJUWKMLSA-N	-1	0	262.265	0.316	20	30		CCEDRM
C#CC[C@H](NC(=O)c1ccc(NC(C)=O)cc1)C(=O)[O-]	ZINC000059974933	957568231	/nfs/dbraw/zinc/56/82/31/957568231.db2.gz	DDNFUTOPOWNCPV-LBPRGKRZSA-N	-1	0	274.276	0.851	20	30		CCEDRM
C=C(C)[C@H]1OCC[C@@H]1CNC(=O)COCC(=O)[O-]	ZINC001332187863	957751461	/nfs/dbraw/zinc/75/14/61/957751461.db2.gz	SQRGRLLLGUVYOK-BXKDBHETSA-N	-1	0	257.286	0.185	20	30		CCEDRM
CON(C(=O)c1cc(C#N)cn1C)[C@@H](C)C(=O)[O-]	ZINC001594033737	957787013	/nfs/dbraw/zinc/78/70/13/957787013.db2.gz	GNWRIZHCTQAXPW-ZETCQYMHSA-N	-1	0	251.242	0.373	20	30		CCEDRM
C#C[C@H](NC(=O)NCCCC(=O)[O-])C1CCOCC1	ZINC001588386754	957981803	/nfs/dbraw/zinc/98/18/03/957981803.db2.gz	VKNTUEBTFFOIIS-NSHDSACASA-N	-1	0	268.313	0.579	20	30		CCEDRM
C#C[C@@H](NC(=O)N1CCO[C@](COC)(C(=O)[O-])C1)C(C)C	ZINC001588386996	957984420	/nfs/dbraw/zinc/98/44/20/957984420.db2.gz	XCOMGRHEQJCHNU-BXUZGUMPSA-N	-1	0	298.339	0.156	20	30		CCEDRM
C#CC[C@@H](CO)NC(=O)c1coc(/C=C\C(=O)[O-])c1	ZINC001588389017	958003101	/nfs/dbraw/zinc/00/31/01/958003101.db2.gz	KDOBOVMSUSKELN-LWTINBJPSA-N	-1	0	263.249	0.491	20	30		CCEDRM
C#CCCCS(=O)(=O)N1[C@H](C)CC[C@@H]1C(=O)[O-]	ZINC001588390817	958015716	/nfs/dbraw/zinc/01/57/16/958015716.db2.gz	KXQGCNZQJNQZCP-NXEZZACHSA-N	-1	0	259.327	0.667	20	30		CCEDRM
C#CCCN(CCOC)C(=O)c1cc(C(=O)[O-])n[nH]1	ZINC001588390865	958016193	/nfs/dbraw/zinc/01/61/93/958016193.db2.gz	PINNSELXBDQTMR-UHFFFAOYSA-N	-1	0	265.269	0.220	20	30		CCEDRM
C#CC[C@H]1CCN(S(=O)(=O)N2CCC[C@H]2C(=O)[O-])C1	ZINC001588391455	958023404	/nfs/dbraw/zinc/02/34/04/958023404.db2.gz	HKOASWXDPYUTPQ-QWRGUYRKSA-N	-1	0	286.353	0.125	20	30		CCEDRM
C#CC[C@@H](OC(=O)c1cn(CC(=O)[O-])nn1)C(C)(C)C	ZINC001588391887	958029177	/nfs/dbraw/zinc/02/91/77/958029177.db2.gz	QVWBEJLOURKWMU-SNVBAGLBSA-N	-1	0	279.296	0.958	20	30		CCEDRM
C#CCN(CC(=O)[O-])C(=O)C(=O)Nc1ccc(Cl)cc1	ZINC001588394377	958034997	/nfs/dbraw/zinc/03/49/97/958034997.db2.gz	BWHTXUPQUMEIRA-UHFFFAOYSA-N	-1	0	294.694	0.825	20	30		CCEDRM
C#CCN(CC(=O)[O-])C(=O)[C@H](O)c1ccccc1OC	ZINC001588397205	958053027	/nfs/dbraw/zinc/05/30/27/958053027.db2.gz	ABBCESQEGRXFJK-CYBMUJFWSA-N	-1	0	277.276	0.275	20	30		CCEDRM
C#CCN(CC(=O)[O-])C(=O)[C@@H](C)NC(=O)C1CCCCC1	ZINC001588397428	958057318	/nfs/dbraw/zinc/05/73/18/958057318.db2.gz	HZSUXHPTHMXQMH-LLVKDONJSA-N	-1	0	294.351	0.618	20	30		CCEDRM
C#CCN(CC(=O)[O-])C(=O)[C@]1(C2CCCC2)CCNC1=O	ZINC001588397963	958066006	/nfs/dbraw/zinc/06/60/06/958066006.db2.gz	ZUHQKDRBNQGBLI-HNNXBMFYSA-N	-1	0	292.335	0.229	20	30		CCEDRM
C#CCN(CC(=O)[O-])C(=O)[C@H]1C[C@@]1(C)Br	ZINC001588399522	958074343	/nfs/dbraw/zinc/07/43/43/958074343.db2.gz	LYBLTDVNLRIIKU-GMSGAONNSA-N	-1	0	274.114	0.706	20	30		CCEDRM
C#CCN(CC(=O)[O-])C(=O)[C@H]1c2c[nH]nc2CC[C@H]1C	ZINC001588400191	958079690	/nfs/dbraw/zinc/07/96/90/958079690.db2.gz	SNFBFVFVHMTAKT-NOZJJQNGSA-N	-1	0	275.308	0.622	20	30		CCEDRM
C#CCN(CC(=O)[O-])C(=O)Cn1cnc(-c2ccccc2)n1	ZINC001588407452	958099178	/nfs/dbraw/zinc/09/91/78/958099178.db2.gz	NQFUYZLBLBVGFU-UHFFFAOYSA-N	-1	0	298.302	0.492	20	30		CCEDRM
C#CCN(CC(=O)[O-])C(=O)Cc1c(C)nn(C(F)F)c1C	ZINC001588407643	958100988	/nfs/dbraw/zinc/10/09/88/958100988.db2.gz	SNSRMAHLZKAAFJ-UHFFFAOYSA-N	-1	0	299.277	0.984	20	30		CCEDRM
C#CCN(CC(=O)[O-])C(=O)NCC[C@H]1CCCOC1	ZINC001588408291	958107707	/nfs/dbraw/zinc/10/77/07/958107707.db2.gz	FUASJOXUVCZBFZ-LLVKDONJSA-N	-1	0	268.313	0.533	20	30		CCEDRM
C#CCN(CC(=O)[O-])C(=O)NCCOc1cccc(F)c1	ZINC001588408707	958116598	/nfs/dbraw/zinc/11/65/98/958116598.db2.gz	ZQMUSIQLJXCTNC-UHFFFAOYSA-N	-1	0	294.282	0.934	20	30		CCEDRM
C#CCN(CC(=O)[O-])C(=O)NC[C@H](C)CC(=O)OCC	ZINC001588408993	958121406	/nfs/dbraw/zinc/12/14/06/958121406.db2.gz	AMBJONHGGQJSIT-SNVBAGLBSA-N	-1	0	284.312	0.305	20	30		CCEDRM
C#CCN(CC(=O)[O-])C(=O)NC[C@@H](C)C(=O)OC(C)C	ZINC001588409349	958125759	/nfs/dbraw/zinc/12/57/59/958125759.db2.gz	FZKPAUXHJVHZAA-SNVBAGLBSA-N	-1	0	284.312	0.304	20	30		CCEDRM
C#CCN(CC(=O)[O-])C(=O)N[C@@H]1[C@H]2CCO[C@H]2C1(C)C	ZINC001588410488	958138920	/nfs/dbraw/zinc/13/89/20/958138920.db2.gz	VVPHZMOSZZYZRI-YUSALJHKSA-N	-1	0	280.324	0.529	20	30		CCEDRM
C#CCN(CC(=O)[O-])C(=O)NC1CCC(COC)CC1	ZINC001588410588	958140792	/nfs/dbraw/zinc/14/07/92/958140792.db2.gz	XMCZWLONCREPPS-UHFFFAOYSA-N	-1	0	282.340	0.921	20	30		CCEDRM
C[C@@H](CNS(=O)(=O)c1ccc(CC#N)cc1)C(=O)[O-]	ZINC000092130815	958159492	/nfs/dbraw/zinc/15/94/92/958159492.db2.gz	ASVKQHDFCAOCDH-VIFPVBQESA-N	-1	0	282.321	0.752	20	30		CCEDRM
C#CCN(CC(=O)[O-])C(=O)c1cc(OCC)no1	ZINC001588416388	958163204	/nfs/dbraw/zinc/16/32/04/958163204.db2.gz	MEEWRNJUJDDOFR-UHFFFAOYSA-N	-1	0	252.226	0.233	20	30		CCEDRM
C#CCN(CC(=O)[O-])C(=O)c1cc(-c2ccncc2)nn1C	ZINC001588417370	958171528	/nfs/dbraw/zinc/17/15/28/958171528.db2.gz	LDAVTRHDSVEHHD-UHFFFAOYSA-N	-1	0	298.302	0.642	20	30		CCEDRM
C#CCN(CC(=O)[O-])C(=O)[C@@H](CC1CCC1)NC(C)=O	ZINC001588417420	958172582	/nfs/dbraw/zinc/17/25/82/958172582.db2.gz	NNWRAAWNIGGQOM-GFCCVEGCSA-N	-1	0	280.324	0.228	20	30		CCEDRM
N#Cc1ccc(N2CC(n3cc(C(=O)[O-])nn3)C2)nc1	ZINC000092697603	958173381	/nfs/dbraw/zinc/17/33/81/958173381.db2.gz	RJRYUTLETVITBD-UHFFFAOYSA-N	-1	0	270.252	0.304	20	30		CCEDRM
C#CCN(CC(=O)[O-])C(=O)c1ccc(OC)nc1Cl	ZINC001588419164	958192831	/nfs/dbraw/zinc/19/28/31/958192831.db2.gz	VLGXLEBAIIYANF-UHFFFAOYSA-N	-1	0	282.683	0.904	20	30		CCEDRM
C#CCN(CC(=O)[O-])Cc1cc(OC)cnc1F	ZINC001588424231	958212943	/nfs/dbraw/zinc/21/29/43/958212943.db2.gz	LTLWHGJSAPPLTA-UHFFFAOYSA-N	-1	0	252.245	0.749	20	30		CCEDRM
C#CCN(CC(=O)[O-])Cc1nnc(OCC)s1	ZINC001588425020	958221806	/nfs/dbraw/zinc/22/18/06/958221806.db2.gz	CGBZEDQFVIEKDD-UHFFFAOYSA-N	-1	0	255.299	0.457	20	30		CCEDRM
C#CCN(CC(=O)[O-])c1nnc(-c2ncccn2)n1CC	ZINC001588426253	958227703	/nfs/dbraw/zinc/22/77/03/958227703.db2.gz	CPRRDAPHXPRSHA-UHFFFAOYSA-N	-1	0	286.295	0.279	20	30		CCEDRM
C#CCN(CC(=O)[O-])c1nnc([C@@H](O)/C=C/CC)n1CC	ZINC001588427105	958240555	/nfs/dbraw/zinc/24/05/55/958240555.db2.gz	MJLFRUJFSMLQTI-AEZGRPFRSA-N	-1	0	292.339	0.822	20	30		CCEDRM
C#CCOCCCOC(=O)c1ccc(C(=O)[O-])nc1	ZINC001588430354	958254787	/nfs/dbraw/zinc/25/47/87/958254787.db2.gz	ASTMSTDOZXUTEO-UHFFFAOYSA-N	-1	0	263.249	0.977	20	30		CCEDRM
C#CCN(CC)C(=O)C(=O)Nc1cccc(C(=O)[O-])c1	ZINC001588432460	958282386	/nfs/dbraw/zinc/28/23/86/958282386.db2.gz	WDXJZHAVNDVUDU-UHFFFAOYSA-N	-1	0	274.276	0.805	20	30		CCEDRM
C#CCOc1ccccc1NC(=O)[C@H]1CC(C(=O)[O-])=NO1	ZINC001588433517	958297555	/nfs/dbraw/zinc/29/75/55/958297555.db2.gz	OFTZVQXZCQVEIQ-GFCCVEGCSA-N	-1	0	288.259	0.867	20	30		CCEDRM
C=C(C)C[C@@H](NC(=O)c1cc(C(=O)[O-])n[nH]1)C(=O)OC	ZINC001588442559	958346340	/nfs/dbraw/zinc/34/63/40/958346340.db2.gz	SHESXAQTAREFKI-SECBINFHSA-N	-1	0	281.268	0.346	20	30		CCEDRM
C=C(C)[C@@H]1OCC[C@H]1CNC(=O)c1cc(C(=O)[O-])n[nH]1	ZINC001588443288	958352490	/nfs/dbraw/zinc/35/24/90/958352490.db2.gz	ZDSXJCJCQLOZLC-KWQFWETISA-N	-1	0	279.296	0.819	20	30		CCEDRM
C#CCNC(=O)CN1CC[C@@](C(=O)[O-])(C(F)(F)F)C1	ZINC000111242674	958417354	/nfs/dbraw/zinc/41/73/54/958417354.db2.gz	DTIAGESNNAFSLD-SNVBAGLBSA-N	-1	0	278.230	0.075	20	30		CCEDRM
C=CCCOCCNC(=O)c1cccn(CC(=O)[O-])c1=O	ZINC001588460380	958474490	/nfs/dbraw/zinc/47/44/90/958474490.db2.gz	CFXKJGRYXCXTSG-UHFFFAOYSA-N	-1	0	294.307	0.255	20	30		CCEDRM
N#Cc1ccc(NCc2cn(CC(=O)[O-])nn2)cc1	ZINC000122873164	958491252	/nfs/dbraw/zinc/49/12/52/958491252.db2.gz	UCVDLCHGHXUHJM-UHFFFAOYSA-N	-1	0	257.253	0.846	20	30		CCEDRM
C=CCOC[C@H](NC(=O)[C@]1(C(=O)[O-])CC1(C)C)C(=O)OC	ZINC001588465049	958494975	/nfs/dbraw/zinc/49/49/75/958494975.db2.gz	FBTCPGGSGQAJLN-XPTSAGLGSA-N	-1	0	299.323	0.348	20	30		CCEDRM
C=CCOCCCn1nnnc1N1CCC(C(=O)[O-])CC1	ZINC001588465031	958495060	/nfs/dbraw/zinc/49/50/60/958495060.db2.gz	DJHJWWAURRPNOQ-UHFFFAOYSA-N	-1	0	295.343	0.567	20	30		CCEDRM
C=CCNC(=O)[C@H](C#N)C(=O)[C@H]1CC[C@@H](C(=O)[O-])C1	ZINC001588465451	958502800	/nfs/dbraw/zinc/50/28/00/958502800.db2.gz	KJONPMYHVDAYHW-IVZWLZJFSA-N	-1	0	264.281	0.498	20	30		CCEDRM
C=CCS(=O)(=O)CCNC(=O)[C@]1(C(=O)[O-])CC1(C)C	ZINC001588469627	958518996	/nfs/dbraw/zinc/51/89/96/958518996.db2.gz	PGQCOZXMPGCMGX-LBPRGKRZSA-N	-1	0	289.353	0.204	20	30		CCEDRM
C=CCn1c([C@H](C)O)nnc1N1CC[C@@](C)(C(=O)[O-])C1	ZINC001588474134	958553894	/nfs/dbraw/zinc/55/38/94/958553894.db2.gz	DJEHWWGAEHLCPA-TVQRCGJNSA-N	-1	0	280.328	0.818	20	30		CCEDRM
C=C[C@@H]1OCC[C@H]1C(=O)N(CCC(=O)OC)CC(=O)[O-]	ZINC001588478864	958573668	/nfs/dbraw/zinc/57/36/68/958573668.db2.gz	YTROYDSRNSCYJA-ZJUUUORDSA-N	-1	0	285.296	0.054	20	30		CCEDRM
C[C@](C#N)(CC(=O)[O-])C(=O)N1CCO[C@@H]2COCC[C@@H]21	ZINC001573360628	958593488	/nfs/dbraw/zinc/59/34/88/958593488.db2.gz	XQKQRUMWSNXXRF-OPQQBVKSSA-N	-1	0	282.296	0.007	20	30		CCEDRM
COc1cncnc1NC(=O)[C@@](C)(C#N)CC(=O)[O-]	ZINC001594155197	958832082	/nfs/dbraw/zinc/83/20/82/958832082.db2.gz	UDOCZVJSBJNVIT-LLVKDONJSA-N	-1	0	264.241	0.428	20	30		CCEDRM
C[C@@](C#N)(CC(=O)[O-])C(=O)N[C@H]1CC(=O)N(CC2CC2)C1	ZINC001588538668	958944498	/nfs/dbraw/zinc/94/44/98/958944498.db2.gz	MGEKGUHYFQGMCQ-HZMBPMFUSA-N	-1	0	293.323	0.118	20	30		CCEDRM
C[C@@](C#N)(CC(=O)[O-])C(=O)N[C@@H]1CC(=O)N(CC2CC2)C1	ZINC001588538674	958944591	/nfs/dbraw/zinc/94/45/91/958944591.db2.gz	MGEKGUHYFQGMCQ-YGRLFVJLSA-N	-1	0	293.323	0.118	20	30		CCEDRM
C[C@@](C#N)(CC(=O)[O-])C(=O)N1CCc2nccnc2C1	ZINC001588539124	958951056	/nfs/dbraw/zinc/95/10/56/958951056.db2.gz	YUZYGCOKVRCPNO-ZDUSSCGKSA-N	-1	0	274.280	0.366	20	30		CCEDRM
C[C@](C#N)(CC(=O)[O-])C(=O)N1CCc2nccnc2C1	ZINC001588539123	958951642	/nfs/dbraw/zinc/95/16/42/958951642.db2.gz	YUZYGCOKVRCPNO-CYBMUJFWSA-N	-1	0	274.280	0.366	20	30		CCEDRM
CC(C)(C)c1nnc(CNC(=O)[C@](C)(C#N)CC(=O)[O-])[nH]1	ZINC001588541644	958963696	/nfs/dbraw/zinc/96/36/96/958963696.db2.gz	IHPWYLZSHIOFJQ-ZDUSSCGKSA-N	-1	0	293.327	0.723	20	30		CCEDRM
C[C@H](C#N)C(=O)N1CCC(N2C[C@H](C(=O)[O-])CC2=O)CC1	ZINC001588543217	958978128	/nfs/dbraw/zinc/97/81/28/958978128.db2.gz	JFSYIMWSGQWCLB-NXEZZACHSA-N	-1	0	293.323	0.070	20	30		CCEDRM
CS(=O)(=O)c1ccc(C=NNCCC(=O)[O-])o1	ZINC001594174768	959032618	/nfs/dbraw/zinc/03/26/18/959032618.db2.gz	OUKUISRTYHNCDA-UHFFFAOYSA-N	-1	0	260.271	0.081	20	30		CCEDRM
C#CC[C@@H](NS(=O)(=O)c1ccc(OC)c(C)c1)C(=O)[O-]	ZINC000159574079	959119030	/nfs/dbraw/zinc/11/90/30/959119030.db2.gz	KAXUHKAAFOSCBZ-LLVKDONJSA-N	-1	0	297.332	0.758	20	30		CCEDRM
C[C@H](C(=O)[O-])C(=O)NCCNc1ncccc1C#N	ZINC001588572780	959194340	/nfs/dbraw/zinc/19/43/40/959194340.db2.gz	OZDUSBFXYPWPKG-QMMMGPOBSA-N	-1	0	262.269	0.202	20	30		CCEDRM
Cc1[nH]nc(NC(=O)[C@@](C)(C#N)CC(=O)[O-])c1C#N	ZINC001594441317	959274467	/nfs/dbraw/zinc/27/44/67/959274467.db2.gz	FCFCKVFILNXXGK-LLVKDONJSA-N	-1	0	261.241	0.533	20	30		CCEDRM
Cc1nc([C@H](C)OC(=O)[C@](C)(C#N)CC(=O)[O-])no1	ZINC001594449650	959354012	/nfs/dbraw/zinc/35/40/12/959354012.db2.gz	GFZIBTRIUVTHRL-KGFZYKRKSA-N	-1	0	267.241	0.987	20	30		CCEDRM
C[C@H](NC(=O)[C@@H](C#N)Cc1ccc(C#N)cc1)C(=O)[O-]	ZINC001594232958	959484403	/nfs/dbraw/zinc/48/44/03/959484403.db2.gz	JRUXQODFLWSFHF-JOYOIKCWSA-N	-1	0	271.276	0.830	20	30		CCEDRM
C[C@@](O)(CNC(=O)c1[nH]c2ccccc2c1C#N)C(=O)[O-]	ZINC001603261907	972447280	/nfs/dbraw/zinc/44/72/80/972447280.db2.gz	URBICKJRVOSHTE-CQSZACIVSA-N	-1	0	287.275	0.605	20	30		CCEDRM
C[C@H]1C[C@H](C(=O)[O-])CN(c2cnc(C#N)c(C#N)n2)C1	ZINC001573698066	959797832	/nfs/dbraw/zinc/79/78/32/959797832.db2.gz	FMQCOXFSVGTNDD-IUCAKERBSA-N	-1	0	271.280	0.767	20	30		CCEDRM
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C#CCCCC(=O)N(C)C1CN(C(=O)[C@H]2C[C@H]2C(=O)[O-])C1	ZINC001573302377	962651944	/nfs/dbraw/zinc/65/19/44/962651944.db2.gz	AYCCGMHJAUZIRR-NWDGAFQWSA-N	-1	0	292.335	0.180	20	30		CCEDRM
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C[C@](O)(CNC(=O)[C@@]1(C#N)CC12CCCC2)C(=O)[O-]	ZINC001609943287	970614375	/nfs/dbraw/zinc/61/43/75/970614375.db2.gz	QAHBVZZFNISHRB-AAEUAGOBSA-N	-1	0	266.297	0.412	20	30		CCEDRM
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CC1(C)C[C@@]1(C(=O)[O-])C(=O)N1CCN(CC#N)CC1	ZINC001603322052	972648199	/nfs/dbraw/zinc/64/81/99/972648199.db2.gz	FQCVZEDIGFURLH-ZDUSSCGKSA-N	-1	0	265.313	0.155	20	30		CCEDRM
C[Si](C)(C)C#CCCNC(=O)[C@H]1CC(C(=O)[O-])=NO1	ZINC001605064263	972682652	/nfs/dbraw/zinc/68/26/52/972682652.db2.gz	GUCBLUFSLKAVOQ-SNVBAGLBSA-N	-1	0	282.372	0.603	20	30		CCEDRM
COC(=O)CCN(CC(=O)[O-])c1cc(C)ncc1C#N	ZINC001604317351	972977041	/nfs/dbraw/zinc/97/70/41/972977041.db2.gz	ODIDWCQMOKWLDA-UHFFFAOYSA-N	-1	0	277.280	0.716	20	30		CCEDRM
Cc1cnn(CCOC(=O)[C@@](C)(C#N)CC(=O)[O-])c1	ZINC001605381943	973348241	/nfs/dbraw/zinc/34/82/41/973348241.db2.gz	JWMTYDKELQVWTE-GFCCVEGCSA-N	-1	0	265.269	0.739	20	30		CCEDRM
C#CCCCCNC(=O)N1C[C@H](C(=O)[O-])C[C@H](O)C1	ZINC000401833008	973430995	/nfs/dbraw/zinc/43/09/95/973430995.db2.gz	JOGXXXABTNBGMN-MNOVXSKESA-N	-1	0	268.313	0.267	20	30		CCEDRM
COCC#CC(=O)NC[C@H](CC(=O)[O-])CC(C)C	ZINC001604505188	973433505	/nfs/dbraw/zinc/43/35/05/973433505.db2.gz	QJTCXYKRKIDPDP-NSHDSACASA-N	-1	0	255.314	0.889	20	30		CCEDRM
C=C(C)COCCNC(=O)N1C[C@H](C(=O)[O-])C[C@H](O)C1	ZINC000401941247	973548370	/nfs/dbraw/zinc/54/83/70/973548370.db2.gz	PAHHKLDCQYEBMN-MNOVXSKESA-N	-1	0	286.328	0.056	20	30		CCEDRM
Cc1cc(C#N)cc(N2C[C@H](O)C[C@H](C(=O)[O-])C2)n1	ZINC000401966379	973572129	/nfs/dbraw/zinc/57/21/29/973572129.db2.gz	FQBPUABKKVPWAP-WDEREUQCSA-N	-1	0	261.281	0.534	20	30		CCEDRM
Cn1c(NC(=O)[C@@](C)(C#N)CC(=O)[O-])nc2cccnc21	ZINC001605473058	973584263	/nfs/dbraw/zinc/58/42/63/973584263.db2.gz	AWXRMUDYUQVRQX-CYBMUJFWSA-N	-1	0	287.279	0.911	20	30		CCEDRM
CON(C(=O)CNc1ccc(C#N)cc1)[C@@H](C)C(=O)[O-]	ZINC001604654546	973800729	/nfs/dbraw/zinc/80/07/29/973800729.db2.gz	FLEOJMMETDSJOW-VIFPVBQESA-N	-1	0	277.280	0.833	20	30		CCEDRM
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CCN(CCC#N)C(=O)CN(CC)[C@H](C)C(=O)[O-]	ZINC001603736397	974174275	/nfs/dbraw/zinc/17/42/75/974174275.db2.gz	CSNUNPZSGYQQLV-SNVBAGLBSA-N	-1	0	255.318	0.544	20	30		CCEDRM
CC(C)OC[C@@H](C(=O)[O-])N(C)CCO[C@@H](C)C#N	ZINC001591712819	975612074	/nfs/dbraw/zinc/61/20/74/975612074.db2.gz	YNNSTORPXOQEBB-QWRGUYRKSA-N	-1	0	258.318	0.725	20	30		CCEDRM
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C#CC1CCN(C(=O)C(=O)N2C[C@@H](C)[C@H](C(=O)[O-])C2)CC1	ZINC001588382716	983374153	/nfs/dbraw/zinc/37/41/53/983374153.db2.gz	GBGAZQDKYFKRSG-ZYHUDNBSSA-N	-1	0	292.335	0.037	20	30		CCEDRM
C#C[C@@H]1COCCN1C(=O)c1cncc(C(=O)[O-])c1	ZINC001588383698	983383098	/nfs/dbraw/zinc/38/30/98/983383098.db2.gz	IAXDESVAAUVQNU-LLVKDONJSA-N	-1	0	260.249	0.254	20	30		CCEDRM
C#C[C@H]1COCCN1C(=O)c1cncc(C(=O)[O-])c1	ZINC001588383699	983383432	/nfs/dbraw/zinc/38/34/32/983383432.db2.gz	IAXDESVAAUVQNU-NSHDSACASA-N	-1	0	260.249	0.254	20	30		CCEDRM
C#C[C@@H]1COCCN1C(=O)c1ccc(C(=O)[O-])s1	ZINC001588383931	983385837	/nfs/dbraw/zinc/38/58/37/983385837.db2.gz	PPLQVZNUOUUBRY-MRVPVSSYSA-N	-1	0	265.290	0.921	20	30		CCEDRM
C#CCC(CC#C)C(=O)Nc1cnn(CC(=O)[O-])c1	ZINC001588390272	983392767	/nfs/dbraw/zinc/39/27/67/983392767.db2.gz	PSVRTTLNYILLIC-UHFFFAOYSA-N	-1	0	259.265	0.569	20	30		CCEDRM
C#CCC(CC#C)C(=O)N1CC[C@](F)(C(=O)[O-])C1	ZINC001588390330	983393114	/nfs/dbraw/zinc/39/31/14/983393114.db2.gz	RITOLBALSBXIJX-CYBMUJFWSA-N	-1	0	251.257	0.674	20	30		CCEDRM
C#CC[C@H](COC)NS(=O)(=O)c1cncc(C(=O)[O-])c1	ZINC001588393921	983400675	/nfs/dbraw/zinc/40/06/75/983400675.db2.gz	GIGBPVCKJFHNTJ-SNVBAGLBSA-N	-1	0	298.320	0.096	20	30		CCEDRM
C#CC[C@H](CCOC)NC(=O)N1CC[C@](C)(C(=O)[O-])C1	ZINC001588394660	983403469	/nfs/dbraw/zinc/40/34/69/983403469.db2.gz	ORLPXKZMMJWHEB-RISCZKNCSA-N	-1	0	282.340	0.921	20	30		CCEDRM
C#CC[C@H](CO)NC(=O)Nc1cccc(OCC(=O)[O-])c1	ZINC001588395322	983405456	/nfs/dbraw/zinc/40/54/56/983405456.db2.gz	SJKVRFPAHUMEPP-LLVKDONJSA-N	-1	0	292.291	0.656	20	30		CCEDRM
C#CC[C@@H](CCOC)NC(=O)c1cc(C(=O)[O-])no1	ZINC001588395794	983406412	/nfs/dbraw/zinc/40/64/12/983406412.db2.gz	UEYAKWSXNWGJGZ-QMMMGPOBSA-N	-1	0	266.253	0.531	20	30		CCEDRM
C#CC[C@H](NC(=O)C1(c2ccccc2)CC(=O)C1)C(=O)[O-]	ZINC001588399653	983416359	/nfs/dbraw/zinc/41/63/59/983416359.db2.gz	WLIMGRUQLPJWLF-ZDUSSCGKSA-N	-1	0	285.299	0.880	20	30		CCEDRM
C#CC[C@@H](NC(=O)Cc1ccc(O)cc1C)C(=O)[O-]	ZINC001588407928	983429889	/nfs/dbraw/zinc/42/98/89/983429889.db2.gz	RKNNZIUBRBMJFZ-GFCCVEGCSA-N	-1	0	261.277	0.836	20	30		CCEDRM
C#CC[C@H](NC(=O)Cc1ccc2c(c1)NC(=O)C2)C(=O)[O-]	ZINC001588408170	983431106	/nfs/dbraw/zinc/43/11/06/983431106.db2.gz	ZSHRYZUICYYDOA-NSHDSACASA-N	-1	0	286.287	0.316	20	30		CCEDRM
C#CC[C@H](NC(=O)c1cc(C(=O)OCC)no1)C(=O)[O-]	ZINC001588413968	983432483	/nfs/dbraw/zinc/43/24/83/983432483.db2.gz	LFHGNRADDZNUKE-ZETCQYMHSA-N	-1	0	280.236	0.058	20	30		CCEDRM
C#CC[C@H](NC(=O)c1cncc2[nH]cnc21)C(=O)[O-]	ZINC001588417147	983438610	/nfs/dbraw/zinc/43/86/10/983438610.db2.gz	YYPMRMOMLKXTPW-QMMMGPOBSA-N	-1	0	258.237	0.164	20	30		CCEDRM
C#CC[C@@H](NC(=O)c1ncccc1NC(C)=O)C(=O)[O-]	ZINC001588422011	983444014	/nfs/dbraw/zinc/44/40/14/983444014.db2.gz	RMZCWFQJJCFQMH-SNVBAGLBSA-N	-1	0	275.264	0.246	20	30		CCEDRM
C#CC[C@H](NC(=O)c1oc(C(=O)[O-])cc1C)C(=O)OC	ZINC001588422284	983445562	/nfs/dbraw/zinc/44/55/62/983445562.db2.gz	VRFOAVWJTURRON-QMMMGPOBSA-N	-1	0	279.248	0.581	20	30		CCEDRM
C#CC[C@H](NS(=O)(=O)CC1(C)CCC1)C(=O)[O-]	ZINC001588424572	983455835	/nfs/dbraw/zinc/45/58/35/983455835.db2.gz	XFATZYWPFKAAQC-VIFPVBQESA-N	-1	0	259.327	0.573	20	30		CCEDRM
C#CCC1(C(=O)N[C@H](C(=O)[O-])[C@@H](C)O)CCCCC1	ZINC001588428505	983462124	/nfs/dbraw/zinc/46/21/24/983462124.db2.gz	QUBASNCOFPRGSB-MNOVXSKESA-N	-1	0	267.325	0.910	20	30		CCEDRM
C#CCCOC(=O)N1CCC[C@]1(COC)C(=O)[O-]	ZINC001588455553	983480113	/nfs/dbraw/zinc/48/01/13/983480113.db2.gz	PQDLQEDGQGDXTO-LBPRGKRZSA-N	-1	0	255.270	0.712	20	30		CCEDRM
C#CCCOC(=O)N1CCSC[C@H](C(=O)[O-])C1	ZINC001588456139	983481690	/nfs/dbraw/zinc/48/16/90/983481690.db2.gz	ZYEPKKSSUBESHS-SECBINFHSA-N	-1	0	257.311	0.896	20	30		CCEDRM
C#CCCS(=O)(=O)N[C@@](C)(CCF)C(=O)[O-]	ZINC001588459085	983484403	/nfs/dbraw/zinc/48/44/03/983484403.db2.gz	YFBCMTFTSDISOA-VIFPVBQESA-N	-1	0	251.279	0.132	20	30		CCEDRM
C#CCN(C)C(=O)C(=O)Nc1cc(F)cc(C(=O)[O-])c1F	ZINC001588461057	983488612	/nfs/dbraw/zinc/48/86/12/983488612.db2.gz	DJSOOTWGEWDEPG-UHFFFAOYSA-N	-1	0	296.229	0.693	20	30		CCEDRM
C#CCN(CC(=O)OC(C)(C)C)C(=O)[C@H]1CC[C@H]1C(=O)[O-]	ZINC001588465841	983496461	/nfs/dbraw/zinc/49/64/61/983496461.db2.gz	JWSGUHRBPFPEKK-WDEREUQCSA-N	-1	0	295.335	0.901	20	30		CCEDRM
C#CCN(CC)C(=O)[C@@H]1CC[C@H](CCC(=O)[O-])O1	ZINC001588468332	983500892	/nfs/dbraw/zinc/50/08/92/983500892.db2.gz	VOZZTOFCRANTMV-MNOVXSKESA-N	-1	0	253.298	0.881	20	30		CCEDRM
C#CCN(C/C(C)=C/C(=O)[O-])[C@@H]1CCS(=O)(=O)C1	ZINC001588468565	983501364	/nfs/dbraw/zinc/50/13/64/983501364.db2.gz	ZDQUCPMFIISRSV-PFEDMVJOSA-N	-1	0	271.338	0.140	20	30		CCEDRM
C#CCNC(=O)[C@@H](C)OC(=O)c1occc1C(=O)[O-]	ZINC001588479375	983519204	/nfs/dbraw/zinc/51/92/04/983519204.db2.gz	LNKDJSUNIFXWSM-SSDOTTSWSA-N	-1	0	265.221	0.273	20	30		CCEDRM
C#CCOCCC(=O)N[C@@H](CC(F)(F)F)C(=O)[O-]	ZINC001588489464	983527602	/nfs/dbraw/zinc/52/76/02/983527602.db2.gz	ALAGBGCXSZGHJK-ZETCQYMHSA-N	-1	0	267.203	0.548	20	30		CCEDRM
C#CCOCCC(=O)N(C)[C@@H](CC(C)C)C(=O)[O-]	ZINC001588490232	983531419	/nfs/dbraw/zinc/53/14/19/983531419.db2.gz	WCRCTIHVGRYNJP-NSHDSACASA-N	-1	0	255.314	0.984	20	30		CCEDRM
C#CCO[C@@H](C)C(=O)N1CCC2(CC(C(=O)[O-])=NO2)CC1	ZINC001588490711	983533740	/nfs/dbraw/zinc/53/37/40/983533740.db2.gz	WBCXXEVXAHHCLM-JTQLQIEISA-N	-1	0	294.307	0.247	20	30		CCEDRM
C#CCOCCNC(=O)NCC1(CC(=O)[O-])CCCC1	ZINC001588491914	983537939	/nfs/dbraw/zinc/53/79/39/983537939.db2.gz	ZKRLZCJZYWPLHT-UHFFFAOYSA-N	-1	0	282.340	0.971	20	30		CCEDRM
C#CCOc1ccc(C(=O)N[C@](C)(CO)C(=O)[O-])cc1	ZINC001588499004	983544662	/nfs/dbraw/zinc/54/46/62/983544662.db2.gz	KDGIEZZLWZONFO-CQSZACIVSA-N	-1	0	277.276	0.264	20	30		CCEDRM
C#CCSCC(=O)NCC1(C(=O)[O-])CCOCC1	ZINC001588505962	983550211	/nfs/dbraw/zinc/55/02/11/983550211.db2.gz	BXPJYTZUTAZSHZ-UHFFFAOYSA-N	-1	0	271.338	0.350	20	30		CCEDRM
C#Cc1ccc(C(=O)N2C[C@@H](O)C[C@H](C(=O)[O-])C2)cc1	ZINC001588511100	983558444	/nfs/dbraw/zinc/55/84/44/983558444.db2.gz	QKIOZNHHJXREBQ-STQMWFEESA-N	-1	0	273.288	0.576	20	30		CCEDRM
C=C(C)[C@@H](CC(=O)NC[C@@]1(C(=O)[O-])CCOC1)OCC	ZINC001588529762	983582076	/nfs/dbraw/zinc/58/20/76/983582076.db2.gz	FNNAGCVBHDFICQ-RISCZKNCSA-N	-1	0	285.340	0.965	20	30		CCEDRM
C=C(C)[C@@H]1OCC[C@@H]1CNc1ccnc(C(=O)[O-])n1	ZINC001588534902	983586953	/nfs/dbraw/zinc/58/69/53/983586953.db2.gz	CYWMGTLYBUQRFD-KOLCDFICSA-N	-1	0	263.297	0.990	20	30		CCEDRM
C=C(C)[C@H]1OCC[C@@H]1CNC(=O)NC[C@H]1C[C@H]1C(=O)[O-]	ZINC001588535382	983589144	/nfs/dbraw/zinc/58/91/44/983589144.db2.gz	NPBFTDCWFTYCBY-DDHJBXDOSA-N	-1	0	282.340	0.988	20	30		CCEDRM
C=C(C)C[C@@H](CO)NC(=O)Cn1ccc(C(=O)[O-])n1	ZINC001588535531	983589360	/nfs/dbraw/zinc/58/93/60/983589360.db2.gz	IXPNUKXYCWQAIK-VIFPVBQESA-N	-1	0	267.285	0.025	20	30		CCEDRM
C=C(C)C[C@@H](CO)NC(=S)NCCCC(=O)[O-]	ZINC001588536785	983595785	/nfs/dbraw/zinc/59/57/85/983595785.db2.gz	DXKMDNDLCPVDCH-VIFPVBQESA-N	-1	0	260.359	0.642	20	30		CCEDRM
C=C(C)C[C@H](NC(=O)C[C@H]1CCC(=O)NC1)C(=O)[O-]	ZINC001588540159	983603052	/nfs/dbraw/zinc/60/30/52/983603052.db2.gz	BDMGRLBGLVSRQU-ZJUUUORDSA-N	-1	0	268.313	0.438	20	30		CCEDRM
C=C(C)C[C@H](NC(=O)Cn1cc(C2CC2)nn1)C(=O)[O-]	ZINC001588544263	983613782	/nfs/dbraw/zinc/61/37/82/983613782.db2.gz	ZKVYFKPSGXUZMO-JTQLQIEISA-N	-1	0	278.312	0.691	20	30		CCEDRM
C=C(C)C[C@H](NC(C)=O)C(=O)N1CC[C@H]1C(=O)[O-]	ZINC001588548035	983622680	/nfs/dbraw/zinc/62/26/80/983622680.db2.gz	PWIZZMCTEYPINO-UWVGGRQHSA-N	-1	0	254.286	0.143	20	30		CCEDRM
C=C(C)C[C@H](NC(C)=O)C(=O)OCC(=O)C1(C(=O)[O-])CC1	ZINC001588548989	983626092	/nfs/dbraw/zinc/62/60/92/983626092.db2.gz	ZZLHDOBYGVFESG-JTQLQIEISA-N	-1	0	297.307	0.434	20	30		CCEDRM
C=C(C)C[C@@H](NS(=O)(=O)C[C@@H](OC)C(C)C)C(=O)[O-]	ZINC001588553076	983627479	/nfs/dbraw/zinc/62/74/79/983627479.db2.gz	GSWBHLHORJDQPJ-GHMZBOCLSA-N	-1	0	293.385	0.996	20	30		CCEDRM
C=C(C)C[C@H](NS(=O)(=O)CC1(N(C)C)CC1)C(=O)[O-]	ZINC001588553447	983628093	/nfs/dbraw/zinc/62/80/93/983628093.db2.gz	NITAFJDKTLRSRV-JTQLQIEISA-N	-1	0	290.385	0.419	20	30		CCEDRM
C=C(C)C[C@H](NS(=O)(=O)c1ccns1)C(=O)[O-]	ZINC001588555417	983634667	/nfs/dbraw/zinc/63/46/67/983634667.db2.gz	IDGYANHRBAMCSP-ZETCQYMHSA-N	-1	0	276.339	0.841	20	30		CCEDRM
C=C(C)CCNC(=O)N1C[C@H](C(=O)[O-])[C@@H](C(=O)OC)C1	ZINC001588559006	983639469	/nfs/dbraw/zinc/63/94/69/983639469.db2.gz	GYWWTCXIKARABP-UWVGGRQHSA-N	-1	0	284.312	0.468	20	30		CCEDRM
C=C(C)CN(CC)C(=O)C(=O)NC[C@@H]1CCO[C@@H]1C(=O)[O-]	ZINC001588562700	983643439	/nfs/dbraw/zinc/64/34/39/983643439.db2.gz	FUQBVSXUUZHQBF-QWRGUYRKSA-N	-1	0	298.339	0.017	20	30		CCEDRM
C=C(C)CN(CC)C(=O)Cn1ncc(C(=O)[O-])cc1=O	ZINC001588562833	983643838	/nfs/dbraw/zinc/64/38/38/983643838.db2.gz	IWDXXCDHCOPHQC-UHFFFAOYSA-N	-1	0	279.296	0.366	20	30		CCEDRM
C=C(C)Cn1c(C)nnc1N1C[C@@H](C)O[C@H](C(=O)[O-])C1	ZINC001588590735	983670681	/nfs/dbraw/zinc/67/06/81/983670681.db2.gz	BTCHRZQVBOLVNS-KOLCDFICSA-N	-1	0	280.328	0.841	20	30		CCEDRM
C=C(C)Cn1c([C@H](C)O)nnc1N1CCO[C@@H](C(=O)[O-])C1	ZINC001588598974	983687412	/nfs/dbraw/zinc/68/74/12/983687412.db2.gz	BHYGXKUQWZELCA-VHSXEESVSA-N	-1	0	296.327	0.197	20	30		CCEDRM
C=C(C)[C@H]1OCC[C@H]1C(=O)N1CC[C@@](F)(C(=O)[O-])C1	ZINC001588599606	983691000	/nfs/dbraw/zinc/69/10/00/983691000.db2.gz	ZGEQGFPPYMSWDQ-BREBYQMCSA-N	-1	0	271.288	0.993	20	30		CCEDRM
C=C(CCC(=O)[O-])C(=O)N1C[C@H](C)O[C@H](CO)C1	ZINC001588612579	983703315	/nfs/dbraw/zinc/70/33/15/983703315.db2.gz	SMBOLPLTDNCKNO-UWVGGRQHSA-N	-1	0	257.286	0.016	20	30		CCEDRM
C=C(CCC(=O)[O-])C(=O)N1CC[C@H](NC(C)=O)C1	ZINC001588613974	983705997	/nfs/dbraw/zinc/70/59/97/983705997.db2.gz	IESUHLYAXMCGAW-JTQLQIEISA-N	-1	0	254.286	0.144	20	30		CCEDRM
C=C(CCC(=O)[O-])C(=O)N1CC[C@@H](C(=O)N(C)C)C1	ZINC001588614449	983707608	/nfs/dbraw/zinc/70/76/08/983707608.db2.gz	VIIZBBSFEMGSAT-SNVBAGLBSA-N	-1	0	268.313	0.344	20	30		CCEDRM
C=C(CCC(=O)[O-])C(=O)N1CCO[C@@H](c2ccnn2C)C1	ZINC001588619453	983717076	/nfs/dbraw/zinc/71/70/76/983717076.db2.gz	USRJSLRRRKREJB-GFCCVEGCSA-N	-1	0	293.323	0.741	20	30		CCEDRM
C=C(CCC(=O)[O-])C(=O)NC1(C(=O)NC)CCCC1	ZINC001588621706	983720466	/nfs/dbraw/zinc/72/04/66/983720466.db2.gz	INIJMABWHAHWJP-UHFFFAOYSA-N	-1	0	268.313	0.582	20	30		CCEDRM
C=C(CCC(=O)[O-])C(=O)N[C@@H]1CC(=O)N(CC2CC2)C1	ZINC001588621876	983721345	/nfs/dbraw/zinc/72/13/45/983721345.db2.gz	LMNVBJHMYXEHKU-LLVKDONJSA-N	-1	0	280.324	0.535	20	30		CCEDRM
C=C(CCC(=O)[O-])C(=O)N[C@H](CCOC)COC	ZINC001588622103	983721920	/nfs/dbraw/zinc/72/19/20/983721920.db2.gz	OSHQYDUZOLZXAN-SNVBAGLBSA-N	-1	0	259.302	0.575	20	30		CCEDRM
CCN(CCC#N)S(=O)(=O)N1CC[C@@H](C(=O)[O-])[C@@H]1C	ZINC001596299634	983725203	/nfs/dbraw/zinc/72/52/03/983725203.db2.gz	RQFHLEQKGQDWLP-VHSXEESVSA-N	-1	0	289.357	0.262	20	30		CCEDRM
C=C(CCC(=O)[O-])C(=O)N[C@@H]1CCCCNC1=O	ZINC001588622872	983725489	/nfs/dbraw/zinc/72/54/89/983725489.db2.gz	GDCNYHBKPGSPSP-SECBINFHSA-N	-1	0	254.286	0.192	20	30		CCEDRM
C=C(CCC(=O)[O-])C(=O)NCC(=O)NC1CCCC1	ZINC001588623480	983728417	/nfs/dbraw/zinc/72/84/17/983728417.db2.gz	RDNZMPUYMYOOTD-UHFFFAOYSA-N	-1	0	268.313	0.582	20	30		CCEDRM
C=C(CCC(=O)[O-])C(=O)NCC1(C(=O)OCC)CC1	ZINC001588623742	983729459	/nfs/dbraw/zinc/72/94/59/983729459.db2.gz	WEQZNKVEIUOYHU-UHFFFAOYSA-N	-1	0	269.297	0.867	20	30		CCEDRM
C=C(CCC(=O)[O-])C(=O)NCC(=O)c1cnn(C)c1	ZINC001588623720	983729578	/nfs/dbraw/zinc/72/95/78/983729578.db2.gz	VKVMNSJBGFPDLO-UHFFFAOYSA-N	-1	0	265.269	0.140	20	30		CCEDRM
C=C(CCC(=O)[O-])C(=O)NCCCS(=O)(=O)CC	ZINC001588624604	983733754	/nfs/dbraw/zinc/73/37/54/983733754.db2.gz	PSJRWDLXGFLYJS-UHFFFAOYSA-N	-1	0	277.342	0.348	20	30		CCEDRM
C=C(CCC(=O)[O-])C(=O)NCCCC(=O)OCC	ZINC001588624700	983734473	/nfs/dbraw/zinc/73/44/73/983734473.db2.gz	SXJLTNRJLCRRPQ-UHFFFAOYSA-N	-1	0	257.286	0.867	20	30		CCEDRM
C=C(CCC(=O)OC)C(=O)N[C@H](C[C@@H]1CCCO1)C(=O)[O-]	ZINC001588633958	983751595	/nfs/dbraw/zinc/75/15/95/983751595.db2.gz	UTKDEOOLBKKGNM-WDEREUQCSA-N	-1	0	299.323	0.634	20	30		CCEDRM
C=C(CCC(=O)[O-])C(=O)Nc1cnc(OC)c(C(N)=O)c1	ZINC001588634129	983752229	/nfs/dbraw/zinc/75/22/29/983752229.db2.gz	RTNZYTLSKZFDMD-UHFFFAOYSA-N	-1	0	293.279	0.549	20	30		CCEDRM
C=C(CO)C(=O)N[C@H](C(=O)[O-])c1ccc(OC)c(O)c1	ZINC001588637167	983758977	/nfs/dbraw/zinc/75/89/77/983758977.db2.gz	JISZWSHRAVCGLV-NSHDSACASA-N	-1	0	281.264	0.191	20	30		CCEDRM
C=C(Cl)CN(C)CCCNC(=O)[C@@H]1C[C@@H]1C(=O)[O-]	ZINC001588642384	983764198	/nfs/dbraw/zinc/76/41/98/983764198.db2.gz	TWPWXEDTJZLDKJ-ZJUUUORDSA-N	-1	0	274.748	0.898	20	30		CCEDRM
C=C[C@@H](C(=O)[O-])N1CCC[C@](O)(Cc2nc(CC)no2)C1	ZINC001588664074	983798147	/nfs/dbraw/zinc/79/81/47/983798147.db2.gz	SIZROTNLKBRAKX-HZMBPMFUSA-N	-1	0	295.339	0.641	20	30		CCEDRM
C=C[C@H](C(=O)OC)N1CCC[C@@](O)(C2(C(=O)[O-])CCC2)C1	ZINC001588672171	983824231	/nfs/dbraw/zinc/82/42/31/983824231.db2.gz	PDQFMOLMYZYPTO-ABAIWWIYSA-N	-1	0	297.351	0.796	20	30		CCEDRM
C=C[C@@](C)(O)CC(=O)Nc1cccc(CC(=O)[O-])n1	ZINC001588683734	983850870	/nfs/dbraw/zinc/85/08/70/983850870.db2.gz	CXHSZKVKRYMMOJ-CYBMUJFWSA-N	-1	0	264.281	0.974	20	30		CCEDRM
C=C[C@](C)(O)CC(=O)N1C[C@H](C(=O)OC)CC[C@@H]1C(=O)[O-]	ZINC001588684043	983854822	/nfs/dbraw/zinc/85/48/22/983854822.db2.gz	JNXYTTBSWYJYKL-RULNRJAQSA-N	-1	0	299.323	0.178	20	30		CCEDRM
C=C[C@H](C)ONC(=O)Cc1ccc(C(=O)[O-])nc1	ZINC001588686716	983865998	/nfs/dbraw/zinc/86/59/98/983865998.db2.gz	CGZVYFKBIMLIAF-QMMMGPOBSA-N	-1	0	250.254	0.945	20	30		CCEDRM
C=C[C@H](COC)NC(=O)C(=O)NC1CCC(C(=O)[O-])CC1	ZINC001588692823	983887182	/nfs/dbraw/zinc/88/71/82/983887182.db2.gz	KJVNAWCEIPNOIF-HSOILSAZSA-N	-1	0	298.339	0.063	20	30		CCEDRM
C=C[C@@H](COC)NC(=O)NCC(C)(C)CC(=O)[O-]	ZINC001588693322	983892606	/nfs/dbraw/zinc/89/26/06/983892606.db2.gz	WKKYDTYFQBDYES-VIFPVBQESA-N	-1	0	258.318	0.988	20	30		CCEDRM
C=C[C@@H](N[C@H](Cc1ccccc1)C(=O)OC)C(=O)[O-]	ZINC001588697204	983904024	/nfs/dbraw/zinc/90/40/24/983904024.db2.gz	RZBFTBFHIZWWTI-VXGBXAGGSA-N	-1	0	263.293	1.000	20	30		CCEDRM
C=C[C@H](NCC(=O)N1CCc2ccccc21)C(=O)[O-]	ZINC001588696793	983904190	/nfs/dbraw/zinc/90/41/90/983904190.db2.gz	RFFBDIVVJGQVHG-NSHDSACASA-N	-1	0	260.293	0.805	20	30		CCEDRM
C=C[C@@H](Nc1cccc(O[C@H]2CC(=O)N2)c1)C(=O)[O-]	ZINC001588701932	983917104	/nfs/dbraw/zinc/91/71/04/983917104.db2.gz	CZYPOPVNEAZTFP-PWSUYJOCSA-N	-1	0	262.265	0.963	20	30		CCEDRM
C=C[C@H](O)C(=O)OCC(=O)Nc1cccc(C(=O)[O-])c1	ZINC001588706391	983930809	/nfs/dbraw/zinc/93/08/09/983930809.db2.gz	YVSUKKBLCCZIGO-JTQLQIEISA-N	-1	0	279.248	0.413	20	30		CCEDRM
C=C[C@@H](OC(=O)Cc1ccc(OC)cn1)C(=O)[O-]	ZINC001588710613	983933144	/nfs/dbraw/zinc/93/31/44/983933144.db2.gz	GATCYAJMNLASSA-SNVBAGLBSA-N	-1	0	251.238	0.815	20	30		CCEDRM
C=C[C@@H](OC(=O)CCNC(=O)c1ccco1)C(=O)[O-]	ZINC001588710880	983934976	/nfs/dbraw/zinc/93/49/76/983934976.db2.gz	JPKLIFXBYBLXMH-MRVPVSSYSA-N	-1	0	267.237	0.582	20	30		CCEDRM
C=C[C@@H]1CCCCN1C(=O)C(=O)N[C@H]1CC=C(C(=O)[O-])C1	ZINC001588719619	983962350	/nfs/dbraw/zinc/96/23/50/983962350.db2.gz	WOLJDVDGJNWLKX-NWDGAFQWSA-N	-1	0	292.335	0.843	20	30		CCEDRM
C=CC[C@H](C(=O)[O-])N1CCS(=O)(=O)C[C@H](C)C1	ZINC001588732020	984015317	/nfs/dbraw/zinc/01/53/17/984015317.db2.gz	UIFWKTZLNPQPTR-NXEZZACHSA-N	-1	0	261.343	0.382	20	30		CCEDRM
C=CCC(CC=C)C(=O)N[C@@H](Cn1cncn1)C(=O)[O-]	ZINC001588737185	984028704	/nfs/dbraw/zinc/02/87/04/984028704.db2.gz	GCZQMRVURFKDBJ-NSHDSACASA-N	-1	0	278.312	0.616	20	30		CCEDRM
C=CC[C@@H](CO)CNC(=O)[C@H]1CC[C@@H](CCC(=O)[O-])O1	ZINC001588737372	984029117	/nfs/dbraw/zinc/02/91/17/984029117.db2.gz	JUQJRODQZDGEGG-GRYCIOLGSA-N	-1	0	285.340	0.700	20	30		CCEDRM
C=CC[C@H](CO)NS(=O)(=O)CC1(C(=O)[O-])CCCC1	ZINC001588744640	984044343	/nfs/dbraw/zinc/04/43/43/984044343.db2.gz	PRHXAWYMNTXALR-SNVBAGLBSA-N	-1	0	291.369	0.488	20	30		CCEDRM
C=CC[C@@H](CO)NC(=O)Nc1cccc(CC(=O)[O-])n1	ZINC001588744743	984045565	/nfs/dbraw/zinc/04/55/65/984045565.db2.gz	QHXLKXQTZQIHBU-JTQLQIEISA-N	-1	0	279.296	0.767	20	30		CCEDRM
C=CCC(F)(F)C(=O)N(CC(=O)[O-])CC(=O)OC	ZINC001588744864	984046995	/nfs/dbraw/zinc/04/69/95/984046995.db2.gz	RVDPGZOMOFBRHN-UHFFFAOYSA-N	-1	0	265.212	0.284	20	30		CCEDRM
C=CC[C@H](OC(=O)[C@@H](NC(C)=O)C(C)C)C(=O)[O-]	ZINC001588751523	984077050	/nfs/dbraw/zinc/07/70/50/984077050.db2.gz	NQLPRSBJNJYNPS-UWVGGRQHSA-N	-1	0	257.286	0.720	20	30		CCEDRM
C=CC[C@@H](OC(=O)C[C@]1(C)CCS(=O)(=O)N1)C(=O)[O-]	ZINC001588754234	984093010	/nfs/dbraw/zinc/09/30/10/984093010.db2.gz	VWBHWWACLSJCIF-KCJUWKMLSA-N	-1	0	291.325	0.031	20	30		CCEDRM
C=CC[C@H](OC(=O)c1cc(OC)n(C)n1)C(=O)[O-]	ZINC001588755552	984094605	/nfs/dbraw/zinc/09/46/05/984094605.db2.gz	AGKVXVCSNXEVHV-QMMMGPOBSA-N	-1	0	254.242	0.615	20	30		CCEDRM
C=CC[C@@H](OC(=O)[C@@H]1CCCN1C(=O)C1CC1)C(=O)[O-]	ZINC001588756249	984097413	/nfs/dbraw/zinc/09/74/13/984097413.db2.gz	JDPVGHWMHLEVDQ-WDEREUQCSA-N	-1	0	281.308	0.960	20	30		CCEDRM
C=CC[C@@H](OC(=O)c1nc2nccc(C)n2n1)C(=O)[O-]	ZINC001588758646	984106677	/nfs/dbraw/zinc/10/66/77/984106677.db2.gz	HOMSMPQQOLBEKD-MRVPVSSYSA-N	-1	0	276.252	0.619	20	30		CCEDRM
C=CC[C@H](OC(=O)c1ccn(CCOC)n1)C(=O)[O-]	ZINC001588758708	984107496	/nfs/dbraw/zinc/10/74/96/984107496.db2.gz	IRKJZXUWLCSZHV-JTQLQIEISA-N	-1	0	268.269	0.716	20	30		CCEDRM
C=CC[C@H](OC(=O)c1nc2ncccn2n1)C(=O)[O-]	ZINC001588758905	984108584	/nfs/dbraw/zinc/10/85/84/984108584.db2.gz	LWHZLNGIEPDVGY-ZETCQYMHSA-N	-1	0	262.225	0.310	20	30		CCEDRM
C=CCC1(C(=O)NCCNC(=O)[C@@H]2C[C@H]2C(=O)[O-])CCC1	ZINC001588764512	984122165	/nfs/dbraw/zinc/12/21/65/984122165.db2.gz	CEODYKCQGFEMSM-GHMZBOCLSA-N	-1	0	294.351	0.686	20	30		CCEDRM
C=CCC1(C(=O)OCC(=O)NCC(=O)[O-])CCOCC1	ZINC001588765302	984126429	/nfs/dbraw/zinc/12/64/29/984126429.db2.gz	WMQCLVUJVPQJFM-UHFFFAOYSA-N	-1	0	285.296	0.103	20	30		CCEDRM
CCN1CN([C@H](C(=O)[O-])c2cccc(C#N)c2)CC1=O	ZINC001596449446	984148654	/nfs/dbraw/zinc/14/86/54/984148654.db2.gz	HFRQDYJJCNSUOB-ZDUSSCGKSA-N	-1	0	273.292	0.806	20	30		CCEDRM
C=CCCC(=O)N(C)CCCNc1ccnc(C(=O)[O-])n1	ZINC001588774425	984152045	/nfs/dbraw/zinc/15/20/45/984152045.db2.gz	YULBMXWOKBJQIJ-UHFFFAOYSA-N	-1	0	292.339	0.823	20	30		CCEDRM
C=CCCC(=O)N[C@H]1C[C@H](Nc2ccnc(C(=O)[O-])n2)C1	ZINC001588777137	984155524	/nfs/dbraw/zinc/15/55/24/984155524.db2.gz	UTVOLOJGIJCOLL-MGCOHNPYSA-N	-1	0	290.323	0.622	20	30		CCEDRM
C=CCC[C@@H](CO)NS(=O)(=O)CC1(C(=O)[O-])CC1	ZINC001588778201	984159874	/nfs/dbraw/zinc/15/98/74/984159874.db2.gz	XMRDWLPZDBMSSW-VIFPVBQESA-N	-1	0	277.342	0.098	20	30		CCEDRM
CCNC(=O)CN(C)c1ccc(C(=O)[O-])nc1C#N	ZINC001596458462	984170525	/nfs/dbraw/zinc/17/05/25/984170525.db2.gz	OMNRWLZHTLBGGI-UHFFFAOYSA-N	-1	0	262.269	0.224	20	30		CCEDRM
C=CCCC[C@@H](NC(=O)C[C@@H]1CC(=O)N1)C(=O)[O-]	ZINC001588789366	984198579	/nfs/dbraw/zinc/19/85/79/984198579.db2.gz	BQFDJFCMKKRNMY-DTWKUNHWSA-N	-1	0	254.286	0.191	20	30		CCEDRM
C=CCCC[C@H](NC(=O)C[C@H]1CCC(=O)N1)C(=O)[O-]	ZINC001588789332	984198583	/nfs/dbraw/zinc/19/85/83/984198583.db2.gz	AZXAZBOLPAVZOV-ZJUUUORDSA-N	-1	0	268.313	0.581	20	30		CCEDRM
C=CCCC[C@@H](NC(=O)C1(n2cnnn2)CC1)C(=O)[O-]	ZINC001588790252	984205204	/nfs/dbraw/zinc/20/52/04/984205204.db2.gz	UGQPSNZQMPYQHY-SECBINFHSA-N	-1	0	279.300	0.088	20	30		CCEDRM
C=CCCN(C)C(=O)C(=O)N1CCC[C@@H]1CC(=O)[O-]	ZINC001588805641	984254834	/nfs/dbraw/zinc/25/48/34/984254834.db2.gz	IWDDZPHKVRLFAP-SNVBAGLBSA-N	-1	0	268.313	0.487	20	30		CCEDRM
C=CCCCn1nnnc1N1CC[C@@](OC)(C(=O)[O-])C1	ZINC001588806000	984257235	/nfs/dbraw/zinc/25/72/35/984257235.db2.gz	XMMGRWUAMQZFCV-LBPRGKRZSA-N	-1	0	281.316	0.319	20	30		CCEDRM
C=CCCO[C@H](C)C(=O)N[C@](CC)(COC)C(=O)[O-]	ZINC001588809091	984265330	/nfs/dbraw/zinc/26/53/30/984265330.db2.gz	ZKMOWGLYYRURNH-ZWNOBZJWSA-N	-1	0	273.329	0.964	20	30		CCEDRM
C=CCCn1cc(C(=O)O[C@@H](C=C)C(=O)[O-])nn1	ZINC001588817328	984275857	/nfs/dbraw/zinc/27/58/57/984275857.db2.gz	HRARUKBLWREPMH-VIFPVBQESA-N	-1	0	251.242	0.650	20	30		CCEDRM
C=CCN(C(=O)C(=O)N[C@H]1C[C@@H]2C[C@]2(C(=O)[O-])C1)C1CC1	ZINC001588819741	984278427	/nfs/dbraw/zinc/27/84/27/984278427.db2.gz	BBTXQPPRYXIASD-FTGAXOIBSA-N	-1	0	292.335	0.533	20	30		CCEDRM
C=CCN(C(=O)CN1CCC[C@@H](C(=O)[O-])C1=O)C1CC1	ZINC001588820886	984287967	/nfs/dbraw/zinc/28/79/67/984287967.db2.gz	XXIHBABNZLAFQG-LLVKDONJSA-N	-1	0	280.324	0.487	20	30		CCEDRM
C=CCN(CC=C)C(=O)[C@@H](C)N1C[C@@H](C)O[C@H](C(=O)[O-])C1	ZINC001588825191	984298987	/nfs/dbraw/zinc/29/89/87/984298987.db2.gz	FZIHAWINYGUJAZ-UPJWGTAASA-N	-1	0	296.367	0.749	20	30		CCEDRM
C=CCN(CC=C)C(=O)Cn1nc(C(=O)[O-])nc1Cl	ZINC001588825378	984300005	/nfs/dbraw/zinc/30/00/05/984300005.db2.gz	NCJPOENFHMYMBL-UHFFFAOYSA-N	-1	0	284.703	0.830	20	30		CCEDRM
C=CCN(CCC#N)C(=O)[C@H]1C[C@@H](C)[C@H](C(=O)[O-])O1	ZINC001588826487	984303681	/nfs/dbraw/zinc/30/36/81/984303681.db2.gz	FVLOQMGVZUCQDC-GMTAPVOTSA-N	-1	0	266.297	0.793	20	30		CCEDRM
C=CCN(CCC#N)S(=O)(=O)c1ccc(C(=O)[O-])nc1	ZINC001588826811	984306661	/nfs/dbraw/zinc/30/66/61/984306661.db2.gz	YQNMFQAOGUULPY-UHFFFAOYSA-N	-1	0	295.320	0.870	20	30		CCEDRM
C=CCN1CC[C@H](N(C)C(=O)c2cc(C(=O)[O-])co2)C1=O	ZINC001588836832	984330287	/nfs/dbraw/zinc/33/02/87/984330287.db2.gz	JXNXOPQZCSFGCN-JTQLQIEISA-N	-1	0	292.291	0.837	20	30		CCEDRM
C=CCN1CC[C@H](N2CC[C@@H](C)C[C@H]2C(=O)[O-])C1=O	ZINC001588838891	984342780	/nfs/dbraw/zinc/34/27/80/984342780.db2.gz	MAEHUGPPNVELLH-WOPDTQHZSA-N	-1	0	266.341	0.958	20	30		CCEDRM
C=CCO[C@@H]1CCN(C(=O)NC[C@H]2CCO[C@H]2C(=O)[O-])C1	ZINC001588849839	984375904	/nfs/dbraw/zinc/37/59/04/984375904.db2.gz	LMYVQASMHSBTLV-IJLUTSLNSA-N	-1	0	298.339	0.463	20	30		CCEDRM
C=CCOCC(=O)NCc1cc(C(=O)[O-])c(C)n1C	ZINC001588850721	984379115	/nfs/dbraw/zinc/37/91/15/984379115.db2.gz	AXVFHVGQPYFDRV-UHFFFAOYSA-N	-1	0	266.297	0.851	20	30		CCEDRM
C=CCOCC(=O)NC[C@@H](C(=O)[O-])[C@@H]1CCOC1	ZINC001588851138	984382984	/nfs/dbraw/zinc/38/29/84/984382984.db2.gz	WHDHPMMNWUWUGM-NXEZZACHSA-N	-1	0	257.286	0.043	20	30		CCEDRM
C=CCOC[C@@H](NC(=O)C(=O)c1ccc(F)cc1)C(=O)[O-]	ZINC001588851157	984383557	/nfs/dbraw/zinc/38/35/57/984383557.db2.gz	WXQUVLDOHRKVOJ-LLVKDONJSA-N	-1	0	295.266	0.780	20	30		CCEDRM
C=CCOC[C@@H](NC(=O)CC[N@@H+]1CC[C@H](F)C1)C(=O)[O-]	ZINC001588854015	984388028	/nfs/dbraw/zinc/38/80/28/984388028.db2.gz	NXYOJEBFTKQWPG-WDEREUQCSA-N	-1	0	288.319	0.192	20	30		CCEDRM
C=CCOC[C@H](NC(=O)[C@@H](C)n1nc(C)cc1C)C(=O)[O-]	ZINC001588855587	984393841	/nfs/dbraw/zinc/39/38/41/984393841.db2.gz	MBTFIFMDASTDMI-NEPJUHHUSA-N	-1	0	295.339	0.833	20	30		CCEDRM
C=CCOC[C@H](NC(=O)[C@@H](CC(=C)C)NC(C)=O)C(=O)[O-]	ZINC001588855577	984394089	/nfs/dbraw/zinc/39/40/89/984394089.db2.gz	LVXNYJSIZSDRAN-NEPJUHHUSA-N	-1	0	298.339	0.229	20	30		CCEDRM
C=CCOC[C@H](NC(=O)Cc1ccnc(OC)c1)C(=O)[O-]	ZINC001588856384	984399852	/nfs/dbraw/zinc/39/98/52/984399852.db2.gz	HXIQXOUYGWWHKM-NSHDSACASA-N	-1	0	294.307	0.405	20	30		CCEDRM
C=CCOC[C@H](NC(=O)c1ccc(C(C)=O)o1)C(=O)[O-]	ZINC001588859310	984404931	/nfs/dbraw/zinc/40/49/31/984404931.db2.gz	HSSYTQBOFXHCNM-VIFPVBQESA-N	-1	0	281.264	0.868	20	30		CCEDRM
C=CCOC[C@@H](NC(=O)c1cn2ccccc2n1)C(=O)[O-]	ZINC001588860185	984411149	/nfs/dbraw/zinc/41/11/49/984411149.db2.gz	LSLBJDHJWXGFDF-LLVKDONJSA-N	-1	0	289.291	0.720	20	30		CCEDRM
C=CCOC[C@H](NC(=O)c1cncc(Cl)n1)C(=O)[O-]	ZINC001588860280	984412219	/nfs/dbraw/zinc/41/22/19/984412219.db2.gz	PDLBJAHUBDVCHY-QMMMGPOBSA-N	-1	0	285.687	0.516	20	30		CCEDRM
C=CCOC[C@@H](NC(=O)c1ccc([N+](=O)[O-])[nH]1)C(=O)[O-]	ZINC001588861169	984414529	/nfs/dbraw/zinc/41/45/29/984414529.db2.gz	BLEWYQRDSZRKIK-MRVPVSSYSA-N	-1	0	283.240	0.309	20	30		CCEDRM
C=CCOC[C@@H](NC(=O)c1cccc(F)n1)C(=O)[O-]	ZINC001588862070	984417479	/nfs/dbraw/zinc/41/74/79/984417479.db2.gz	PWCBNGPPMZUBJE-SECBINFHSA-N	-1	0	268.244	0.606	20	30		CCEDRM
C=CCOCCCN1C(=O)N[C@H]([C@@H]2C[C@H]2C(=O)[O-])C1=O	ZINC001588866322	984424334	/nfs/dbraw/zinc/42/43/34/984424334.db2.gz	FQDPLKMCUAGAEJ-OPRDCNLKSA-N	-1	0	282.296	0.220	20	30		CCEDRM
C=CCOCc1nnc(N2C[C@@H](C)[C@H](C(=O)[O-])C2)n1C	ZINC001588868627	984434429	/nfs/dbraw/zinc/43/44/29/984434429.db2.gz	NFDITBRENLQPAJ-NXEZZACHSA-N	-1	0	280.328	0.675	20	30		CCEDRM
C=CCOc1cccnc1C(=O)NC[C@@H](O)CC(=O)[O-]	ZINC001588877276	984452180	/nfs/dbraw/zinc/45/21/80/984452180.db2.gz	GMOZNAUAERQOHK-VIFPVBQESA-N	-1	0	280.280	0.212	20	30		CCEDRM
C=CCn1c([C@@H]2CC=NO2)nnc1N1CC[C@H](C(=O)[O-])C1	ZINC001588896098	984499109	/nfs/dbraw/zinc/49/91/09/984499109.db2.gz	GFKCSNXSUMDZSB-UWVGGRQHSA-N	-1	0	291.311	0.822	20	30		CCEDRM
C=CCn1c([C@@H](O)CC)nnc1N1CC[C@](F)(C(=O)[O-])C1	ZINC001588910363	984548975	/nfs/dbraw/zinc/54/89/75/984548975.db2.gz	TVFHNYKRZFRPDW-TVQRCGJNSA-N	-1	0	298.318	0.911	20	30		CCEDRM
C=CCn1c([C@@H](O)CC)nnc1N1CC[C@@](F)(C(=O)[O-])C1	ZINC001588910364	984549242	/nfs/dbraw/zinc/54/92/42/984549242.db2.gz	TVFHNYKRZFRPDW-ZANVPECISA-N	-1	0	298.318	0.911	20	30		CCEDRM
C=CCn1nnnc1SCc1cc(C(=O)[O-])no1	ZINC001588913133	984554581	/nfs/dbraw/zinc/55/45/81/984554581.db2.gz	ZHZKCGINYDEWDY-UHFFFAOYSA-N	-1	0	267.270	0.838	20	30		CCEDRM
C=C[C@@H]1OCC[C@H]1C(=O)NCCSCCC(=O)[O-]	ZINC001588916458	984561248	/nfs/dbraw/zinc/56/12/48/984561248.db2.gz	NIXPFSUDBSBJPT-ZJUUUORDSA-N	-1	0	273.354	0.902	20	30		CCEDRM
C=C[C@@H]1OCC[C@H]1C(=O)O[C@@H](C)c1cn(CC(=O)[O-])nn1	ZINC001588916627	984562164	/nfs/dbraw/zinc/56/21/64/984562164.db2.gz	VXQNPYRCVDATHS-NGZCFLSTSA-N	-1	0	295.295	0.558	20	30		CCEDRM
C=C[C@@H]1OCC[C@H]1NS(=O)(=O)CCCC(=O)[O-]	ZINC001588919474	984572265	/nfs/dbraw/zinc/57/22/65/984572265.db2.gz	APVAUHCOODTJIL-BDAKNGLRSA-N	-1	0	263.315	0.114	20	30		CCEDRM
CC#CCCCC(=O)NC1CN(C(=O)[C@H]2C[C@@H]2C(=O)[O-])C1	ZINC001588924763	984583299	/nfs/dbraw/zinc/58/32/99/984583299.db2.gz	DPFGRQOWCSIPBX-RYUDHWBXSA-N	-1	0	292.335	0.228	20	30		CCEDRM
CC#CC(=O)N[C@H]1CCN(c2sccc2C(=O)[O-])C1=O	ZINC001588926364	984593289	/nfs/dbraw/zinc/59/32/89/984593289.db2.gz	UCOBFWYWYJNEFQ-VIFPVBQESA-N	-1	0	292.316	0.691	20	30		CCEDRM
CC#CC[C@H](CO)NC(=O)Nc1cc(C(=O)[O-])n(C)c1	ZINC001588926482	984594534	/nfs/dbraw/zinc/59/45/34/984594534.db2.gz	ZSNQSXUGVDSWSY-SECBINFHSA-N	-1	0	279.296	0.619	20	30		CCEDRM
CC#CCCN1C[C@@H](C(=O)[O-])CC[C@H]1C(=O)OC	ZINC001588927152	984597318	/nfs/dbraw/zinc/59/73/18/984597318.db2.gz	OYIIQOGEUVRFIZ-QWRGUYRKSA-N	-1	0	253.298	0.738	20	30		CCEDRM
CC#CCN(C)C(=O)C(=O)N1CCC[C@@H](CCC(=O)[O-])C1	ZINC001588930802	984599288	/nfs/dbraw/zinc/59/92/88/984599288.db2.gz	AHOVGEGZNIHONZ-LBPRGKRZSA-N	-1	0	294.351	0.572	20	30		CCEDRM
C[C@H](CC(=O)[O-])NS(=O)(=O)c1ccccc1CC#N	ZINC001599889081	984672806	/nfs/dbraw/zinc/67/28/06/984672806.db2.gz	RJBIWTBVQRADLJ-SECBINFHSA-N	-1	0	282.321	0.894	20	30		CCEDRM
C[C@H]1CN(C(=O)C2(C#N)CCCC2)C[C@@H](C(=O)[O-])O1	ZINC001599911567	984992054	/nfs/dbraw/zinc/99/20/54/984992054.db2.gz	BNKCMOKCZFBSNE-UWVGGRQHSA-N	-1	0	266.297	0.771	20	30		CCEDRM
C[C@H]1CN(C(=O)[C@]2(C#N)CCCOC2)CC[C@H]1C(=O)[O-]	ZINC001599912394	985002383	/nfs/dbraw/zinc/00/23/83/985002383.db2.gz	NCUWYPXMWXVGPX-WDMOLILDSA-N	-1	0	280.324	0.876	20	30		CCEDRM
C[C@H]1CN(C(=O)c2cc(O)cc(C#N)c2)C[C@@H](C(=O)[O-])O1	ZINC001599924581	985183262	/nfs/dbraw/zinc/18/32/62/985183262.db2.gz	OWXZITZWXXQJOS-UFBFGSQYSA-N	-1	0	290.275	0.578	20	30		CCEDRM
CC(=O)NCC(=O)O[C@@H](C(=O)[O-])c1cccc(C#N)c1	ZINC001589127801	985405816	/nfs/dbraw/zinc/40/58/16/985405816.db2.gz	PYABBLQIIALMJN-GFCCVEGCSA-N	-1	0	276.248	0.363	20	30		CCEDRM
CC(=O)NCCCCCC(=O)N(CC#N)CCC(=O)[O-]	ZINC001589133277	985428412	/nfs/dbraw/zinc/42/84/12/985428412.db2.gz	KPXPJHDSQYYDKM-UHFFFAOYSA-N	-1	0	283.328	0.510	20	30		CCEDRM
C[C@@H]1CN(C(=O)NC[C@H](F)C(=O)[O-])C[C@H](C)N1CC#N	ZINC001594476022	985488644	/nfs/dbraw/zinc/48/86/44/985488644.db2.gz	PVPWCKMFASVZBX-AEJSXWLSSA-N	-1	0	286.307	0.037	20	30		CCEDRM
CCOC[C@H](C(=O)[O-])N(C)C(=O)c1ncc(C#N)cc1C	ZINC001596878567	985743839	/nfs/dbraw/zinc/74/38/39/985743839.db2.gz	VZRBBFAMVIARHB-LLVKDONJSA-N	-1	0	291.307	0.823	20	30		CCEDRM
Cc1c(C#N)c(NC(=O)c2ccc(C(=O)[O-])n2C)nn1C	ZINC001599973363	986045904	/nfs/dbraw/zinc/04/59/04/986045904.db2.gz	PHKRZLLUNIALKK-UHFFFAOYSA-N	-1	0	287.279	0.889	20	30		CCEDRM
CCON(C)S(=O)(=O)c1ccc(C#N)cc1C(=O)[O-]	ZINC001596963496	986160010	/nfs/dbraw/zinc/16/00/10/986160010.db2.gz	LTDWEZBVXIMRGV-UHFFFAOYSA-N	-1	0	284.293	0.828	20	30		CCEDRM
C[C@@H](C#N)CN(C)C(=O)Cn1cccc(C(=O)[O-])c1=O	ZINC001589329585	986164960	/nfs/dbraw/zinc/16/49/60/986164960.db2.gz	PXLUVNFIAFAVGS-VIFPVBQESA-N	-1	0	277.280	0.165	20	30		CCEDRM
C[C@@H](C#N)CNC(=O)N1C[C@@H](C)[C@H](CC(=O)[O-])C1	ZINC001589330660	986175819	/nfs/dbraw/zinc/17/58/19/986175819.db2.gz	MOPDEOBABXMLHH-IVZWLZJFSA-N	-1	0	253.302	0.898	20	30		CCEDRM
Cc1c(C(=O)N[C@@H](C)C(=O)[O-])cnn1CCC#N	ZINC001599982223	986180448	/nfs/dbraw/zinc/18/04/48/986180448.db2.gz	VSEFMJJSMJQJIB-ZETCQYMHSA-N	-1	0	250.258	0.308	20	30		CCEDRM
C[C@H](C(=O)N(CC#N)CCC(=O)[O-])c1ccnn1C	ZINC001589341438	986250076	/nfs/dbraw/zinc/25/00/76/986250076.db2.gz	ARUYRIAKOGCNEM-VIFPVBQESA-N	-1	0	264.285	0.350	20	30		CCEDRM
C[C@H](C(=O)NCCSCCC(=O)[O-])n1cnc(C#N)n1	ZINC001589410110	986612112	/nfs/dbraw/zinc/61/21/12/986612112.db2.gz	STTBFDYHXDKHRC-MRVPVSSYSA-N	-1	0	297.340	0.035	20	30		CCEDRM
C[C@H](C(=O)NCc1ccoc1C(=O)[O-])n1cnc(C#N)n1	ZINC001589416627	986656633	/nfs/dbraw/zinc/65/66/33/986656633.db2.gz	XDYQOKSPDUGUHW-SSDOTTSWSA-N	-1	0	289.251	0.318	20	30		CCEDRM
CCC(=O)N1CC[C@@H](C(=O)N(CC#N)CCC(=O)[O-])C1	ZINC001594695383	987114116	/nfs/dbraw/zinc/11/41/16/987114116.db2.gz	JQOAOKIUIZBSPC-SNVBAGLBSA-N	-1	0	281.312	0.072	20	30		CCEDRM
CC[S@@](=O)CC(=O)O[C@@H](C(=O)[O-])c1cccc(C#N)c1	ZINC001597248792	987230258	/nfs/dbraw/zinc/23/02/58/987230258.db2.gz	CTYFOYLZWMFHJN-MPBGBICISA-N	-1	0	295.316	0.996	20	30		CCEDRM
CC(C)(C#N)CC(=O)N[C@@H](CCC1OCCO1)C(=O)[O-]	ZINC001589553739	987293236	/nfs/dbraw/zinc/29/32/36/987293236.db2.gz	JFSVQPMLMRXWJC-VIFPVBQESA-N	-1	0	284.312	0.649	20	30		CCEDRM
CC(C)(C#N)CC(=O)NC[C@H](C(=O)[O-])[C@@H]1CCOC1	ZINC001589554144	987298508	/nfs/dbraw/zinc/29/85/08/987298508.db2.gz	VOZCUFUMYLPDFD-ZJUUUORDSA-N	-1	0	268.313	0.780	20	30		CCEDRM
CC[C@@H](C#N)NS(=O)(=O)c1ccc(C(=O)[O-])c(OC)c1	ZINC001597282409	987355049	/nfs/dbraw/zinc/35/50/49/987355049.db2.gz	NZIXGBFFEYMHRL-QMMMGPOBSA-N	-1	0	298.320	0.974	20	30		CCEDRM
CCc1[nH]c(C=NN2CCOCC2)cc1C(=O)[O-]	ZINC001597380514	987575718	/nfs/dbraw/zinc/57/57/18/987575718.db2.gz	OCIIROXEVIVWFW-UHFFFAOYSA-N	-1	0	251.286	0.941	20	30		CCEDRM
CC(C)(C)C#CC(=O)N1CCC([C@@H](O)C(=O)[O-])CC1	ZINC001589681701	987714023	/nfs/dbraw/zinc/71/40/23/987714023.db2.gz	AFTDZEYOZSSTDP-GFCCVEGCSA-N	-1	0	267.325	0.720	20	30		CCEDRM
CC(C)(C)C#CC(=O)N1CC[C@]2(CC(C(=O)[O-])=NO2)C1	ZINC001589681698	987714288	/nfs/dbraw/zinc/71/42/88/987714288.db2.gz	ADBVABKYYLOUBE-AWEZNQCLSA-N	-1	0	278.308	0.868	20	30		CCEDRM
CC(C)(C)[C@@H](C#N)NC(=O)Cn1cc(C(=O)[O-])cn1	ZINC001589699740	987787693	/nfs/dbraw/zinc/78/76/93/987787693.db2.gz	QATDNLHYADMEPB-SECBINFHSA-N	-1	0	264.285	0.636	20	30		CCEDRM
CCc1ccc(C#CC(=O)Nc2n[nH]c(CC(=O)[O-])n2)cc1	ZINC001597495131	988041700	/nfs/dbraw/zinc/04/17/00/988041700.db2.gz	RTIUFNJNCUUFDC-UHFFFAOYSA-N	-1	0	298.302	0.984	20	30		CCEDRM
C[C@@H]1C[C@H](C(=O)N(CCC#N)CCC#N)O[C@H]1C(=O)[O-]	ZINC001599872534	989372174	/nfs/dbraw/zinc/37/21/74/989372174.db2.gz	ZVQLRDNQRFKPDT-GMTAPVOTSA-N	-1	0	279.296	0.521	20	30		CCEDRM
C[C@@H]1C[C@H](C(=O)OCc2ccc(C#N)cn2)O[C@H]1C(=O)[O-]	ZINC001599879087	989459306	/nfs/dbraw/zinc/45/93/06/989459306.db2.gz	HDOHRGBIDLDSTG-GGZOMVNGSA-N	-1	0	290.275	0.875	20	30		CCEDRM
C[C@@H]1[C@H](Nc2ccc(C(=O)[O-])nc2C#N)CCS1(=O)=O	ZINC001599883511	989517923	/nfs/dbraw/zinc/51/79/23/989517923.db2.gz	QLIPZDUMDLUFII-HTQZYQBOSA-N	-1	0	295.320	0.639	20	30		CCEDRM
CCn1c([C@@H]2C[C@@H]2C#N)nnc1N1CCO[C@H](C(=O)[O-])C1	ZINC001597844712	989558283	/nfs/dbraw/zinc/55/82/83/989558283.db2.gz	QLJWDCITNGZUKD-BBBLOLIVSA-N	-1	0	291.311	0.215	20	30		CCEDRM
CCn1ncn(N=Cc2ccoc2C(=O)[O-])c1=O	ZINC001597968187	990012458	/nfs/dbraw/zinc/01/24/58/990012458.db2.gz	RDVWLZAODYGISG-UHFFFAOYSA-N	-1	0	250.214	0.238	20	30		CCEDRM
CC(C)(CC#N)CS(=O)(=O)N1CC[C@@H]1C(=O)[O-]	ZINC001590615379	990289860	/nfs/dbraw/zinc/28/98/60/990289860.db2.gz	UQVMXHYHEGYCNH-MRVPVSSYSA-N	-1	0	260.315	0.415	20	30		CCEDRM
CC(C)(CC(=O)[O-])C(=O)OCC(=O)N[C@@](C)(C#N)C1CC1	ZINC001590625164	990306931	/nfs/dbraw/zinc/30/69/31/990306931.db2.gz	GMKKYMQNHSIJDB-AWEZNQCLSA-N	-1	0	296.323	0.839	20	30		CCEDRM
CC(C)(NS(=O)(=O)c1ccc(C#N)o1)C(=O)[O-]	ZINC001590879056	990789433	/nfs/dbraw/zinc/78/94/33/990789433.db2.gz	HDPLROOOIKQARE-UHFFFAOYSA-N	-1	0	258.255	0.293	20	30		CCEDRM
CN(C)C[C@@](C)(C#N)NC(=O)Cc1cccc(C(=O)[O-])c1	ZINC001598199614	990808951	/nfs/dbraw/zinc/80/89/51/990808951.db2.gz	NCSBLIKXKSVWPM-OAHLLOKOSA-N	-1	0	289.335	0.887	20	30		CCEDRM
CC(C)C[C@@H](C(=O)[O-])N(C)C(=O)Cn1cnc(C#N)n1	ZINC001591423927	992513510	/nfs/dbraw/zinc/51/35/10/992513510.db2.gz	VEYOXXUALZVFTR-VIFPVBQESA-N	-1	0	279.300	0.107	20	30		CCEDRM
CC(C)NC(=O)CN(C)c1ccc(C(=O)[O-])nc1C#N	ZINC001591640927	992956071	/nfs/dbraw/zinc/95/60/71/992956071.db2.gz	CXYJWQBDZSCAEK-UHFFFAOYSA-N	-1	0	276.296	0.612	20	30		CCEDRM
CNC(=O)N[C@@H]1CCN(c2ccc(C(=O)[O-])nc2C#N)C1	ZINC001598653560	994483860	/nfs/dbraw/zinc/48/38/60/994483860.db2.gz	UNZZCJUGLOSIKW-MRVPVSSYSA-N	-1	0	289.295	0.159	20	30		CCEDRM
COC(=O)[C@H]1CCN(Cc2ccc(C#N)o2)[C@H](C(=O)[O-])C1	ZINC001598799062	996127053	/nfs/dbraw/zinc/12/70/53/996127053.db2.gz	HIFIRGUQKNRNPT-CABZTGNLSA-N	-1	0	292.291	0.989	20	30		CCEDRM
C[C@@H](c1cccc(C#N)c1)N(C)CC(=O)NCC(=O)[O-]	ZINC001593698113	996161297	/nfs/dbraw/zinc/16/12/97/996161297.db2.gz	GCGMKYUVYIQCMY-JTQLQIEISA-N	-1	0	275.308	0.752	20	30		CCEDRM
COC(=O)[C@H]1CN(C(=O)CC(C)(C)C#N)C[C@H]1C(=O)[O-]	ZINC001598805391	996181073	/nfs/dbraw/zinc/18/10/73/996181073.db2.gz	DFTZCAPQJZAGTH-BDAKNGLRSA-N	-1	0	282.296	0.258	20	30		CCEDRM
COC(=O)[C@H]1CN(C(=O)C2(C#N)CCCC2)C[C@@H]1C(=O)[O-]	ZINC001598810667	996228465	/nfs/dbraw/zinc/22/84/65/996228465.db2.gz	WUHQZYDDZFMCOQ-UWVGGRQHSA-N	-1	0	294.307	0.403	20	30		CCEDRM
CC1(C#N)CN(CC(=O)NC2(C(=O)[O-])CCCCC2)C1	ZINC001593742599	996361286	/nfs/dbraw/zinc/36/12/86/996361286.db2.gz	BPSXGSQPAHAITH-UHFFFAOYSA-N	-1	0	279.340	0.736	20	30		CCEDRM
C[C@]1(C#N)CN(C(=O)NCCSCC(=O)[O-])CCO1	ZINC001593743317	996367086	/nfs/dbraw/zinc/36/70/86/996367086.db2.gz	MXYOFEHWHHIVTE-NSHDSACASA-N	-1	0	287.341	0.128	20	30		CCEDRM
C[C@]1(C#N)CN(C(=O)NC2CC(C(=O)[O-])C2)CCO1	ZINC001593743607	996369803	/nfs/dbraw/zinc/36/98/03/996369803.db2.gz	WITWTILHWLGVCT-KWPJZBAWSA-N	-1	0	267.285	0.174	20	30		CCEDRM
COC(=O)[C@H]1CN(c2ncccc2C#N)C[C@@H]1C(=O)[O-]	ZINC001598825791	996381232	/nfs/dbraw/zinc/38/12/32/996381232.db2.gz	FAGPNHBJMNXNAK-UWVGGRQHSA-N	-1	0	275.264	0.263	20	30		CCEDRM
COC(=O)[C@H]1CN(Cc2ccncc2C#N)C[C@@H]1C(=O)[O-]	ZINC001598826494	996388897	/nfs/dbraw/zinc/38/88/97/996388897.db2.gz	HZOHMXNNVRWXOS-RYUDHWBXSA-N	-1	0	289.291	0.259	20	30		CCEDRM
COC(=O)C[C@H](NC(=O)C#Cc1cccs1)C(=O)[O-]	ZINC001598838911	996508744	/nfs/dbraw/zinc/50/87/44/996508744.db2.gz	SZYCOKSBNGBYLC-VIFPVBQESA-N	-1	0	281.289	0.232	20	30		CCEDRM
CO[C@@]1(C(=O)[O-])CCN(C(=O)NCC(C)(C)C#N)C1	ZINC001599073948	996824913	/nfs/dbraw/zinc/82/49/13/996824913.db2.gz	ZWLKCCHJSFSNMT-LBPRGKRZSA-N	-1	0	269.301	0.421	20	30		CCEDRM
COC[C@@H](OC(=O)c1cc(C#N)oc1C)C(=O)[O-]	ZINC001599183170	996981372	/nfs/dbraw/zinc/98/13/72/996981372.db2.gz	JYGWJTOWLNMBCU-SECBINFHSA-N	-1	0	253.210	0.716	20	30		CCEDRM
CC1(C)OCC[C@@H]1NN=Cc1cc(C(=O)[O-])no1	ZINC001593981302	997201936	/nfs/dbraw/zinc/20/19/36/997201936.db2.gz	KNFGHRAQLOLHGA-VIFPVBQESA-N	-1	0	253.258	0.864	20	30		CCEDRM
COCc1nc(NC(=O)CC#N)sc1C(=O)[O-]	ZINC001599304061	997282569	/nfs/dbraw/zinc/28/25/69/997282569.db2.gz	IBMTXLFOMVCICU-UHFFFAOYSA-N	-1	0	255.255	0.840	20	30		CCEDRM
COCC[C@H](/N=C/c1ccc(O)c(O)c1O)C(=O)[O-]	ZINC001599213815	997548654	/nfs/dbraw/zinc/54/86/54/997548654.db2.gz	RJZGZUPXTXMPSM-UVDXRHSJSA-N	-1	0	269.253	0.712	20	30		CCEDRM
CON=CC(=O)N1C[C@@H](c2ccccc2)[C@H](C(=O)[O-])C1	ZINC001599319432	997554868	/nfs/dbraw/zinc/55/48/68/997554868.db2.gz	AFKDSEHZRJOFJG-NWDGAFQWSA-N	-1	0	276.292	0.945	20	30		CCEDRM
CON=CC(=O)N1CCOc2c(cccc2C(=O)[O-])C1	ZINC001599319669	997558309	/nfs/dbraw/zinc/55/83/09/997558309.db2.gz	FIBWNRRAWFLLLS-UHFFFAOYSA-N	-1	0	278.264	0.738	20	30		CCEDRM
COCCN(CC(=O)[O-])C(=O)c1ncc(C#N)cc1Cl	ZINC001599234372	997920319	/nfs/dbraw/zinc/92/03/19/997920319.db2.gz	NHDQFLLWKWNPRD-UHFFFAOYSA-N	-1	0	297.698	0.780	20	30		CCEDRM
CO[C@@H]1CN(C(=O)c2cccc(C#N)n2)[C@@](C)(C(=O)[O-])C1	ZINC001599131314	997950101	/nfs/dbraw/zinc/95/01/01/997950101.db2.gz	BOCBUXDLJNEZTC-IINYFYTJSA-N	-1	0	289.291	0.657	20	30		CCEDRM
COCC#CC(=O)Nc1cc(C(=O)[O-])cc(OC)c1OC	ZINC001599138802	998090745	/nfs/dbraw/zinc/09/07/45/998090745.db2.gz	PKMMJNOWVXRFEW-UHFFFAOYSA-N	-1	0	293.275	0.990	20	30		CCEDRM
COc1ccc(C(=O)N(CC#N)CCC(=O)[O-])cn1	ZINC001599479361	998582463	/nfs/dbraw/zinc/58/24/63/998582463.db2.gz	NPMFPBIGJYVUSM-UHFFFAOYSA-N	-1	0	263.253	0.531	20	30		CCEDRM
COC[C@@H](NC(=O)c1ccc(C#N)s1)C(=O)[O-]	ZINC001599171966	998619998	/nfs/dbraw/zinc/61/99/98/998619998.db2.gz	RHZNGZVMDMHRFZ-SSDOTTSWSA-N	-1	0	254.267	0.449	20	30		CCEDRM
CC1CC(C#N)(C(=O)N2C[C@H](O)C[C@@H](C(=O)[O-])C2)C1	ZINC001594200341	998773435	/nfs/dbraw/zinc/77/34/35/998773435.db2.gz	GEHJIIMGWJDFGU-LIVJGEBJSA-N	-1	0	266.297	0.220	20	30		CCEDRM
C[C@@H]1C[C@H](NC(=O)N2CCC(C#N)(C(=O)[O-])CC2)CO1	ZINC001594253142	998974304	/nfs/dbraw/zinc/97/43/04/998974304.db2.gz	MOXRTMPGOXATBK-ZJUUUORDSA-N	-1	0	281.312	0.564	20	30		CCEDRM
CO[C@@H](C)CCNC(=O)N1CCC(C#N)(C(=O)[O-])CC1	ZINC001599038818	999103153	/nfs/dbraw/zinc/10/31/53/999103153.db2.gz	GHKSJTCHVHPBGN-JTQLQIEISA-N	-1	0	283.328	0.811	20	30		CCEDRM
C[C@@H]1CCn2ncc(C(=O)N(CC#N)CCC(=O)[O-])c2C1	ZINC001594452350	999652553	/nfs/dbraw/zinc/65/25/53/999652553.db2.gz	QCOLMJQBIYGIJP-SNVBAGLBSA-N	-1	0	290.323	0.906	20	30		CCEDRM
N#Cc1ccccc1S(=O)(=O)N[C@H]1C=C[C@H](C(=O)[O-])C1	ZINC000092181994	349484934	/nfs/dbraw/zinc/48/49/34/349484934.db2.gz	XPIVUIZNRIHEGS-ONGXEEELSA-N	-1	0	292.316	0.866	20	30		CCEDRM
Cc1cc(N2C[C@@H](C)O[C@@H](C(=O)[O-])C2)c(C#N)cn1	ZINC000600678767	362031924	/nfs/dbraw/zinc/03/19/24/362031924.db2.gz	UTQPPYRASVYQIM-BXKDBHETSA-N	-1	0	261.281	0.940	20	30		CCEDRM
Cn1cncc1[C@@H]1C[C@H]1C(=O)Nc1nc(C#N)c(C#N)[n-]1	ZINC000600816131	362067876	/nfs/dbraw/zinc/06/78/76/362067876.db2.gz	JFRFBSWPVHISTR-HTQZYQBOSA-N	-1	0	281.279	0.629	20	30		CCEDRM
Cc1nc(NC[C@@]2(C(=O)[O-])CCCOC2)ccc1C#N	ZINC000600942811	362095591	/nfs/dbraw/zinc/09/55/91/362095591.db2.gz	IWGVCRXNONEHKC-AWEZNQCLSA-N	-1	0	275.308	0.977	20	30		CCEDRM
Cc1cc(C)n([C@H](C)C(=O)N=c2[nH][n-]cc2C#N)n1	ZINC000601638988	362335964	/nfs/dbraw/zinc/33/59/64/362335964.db2.gz	FWCXUROHQLEOJG-SECBINFHSA-N	-1	0	258.285	0.716	20	30		CCEDRM
N#Cc1c[n-][nH]c1=NC(=O)c1cnn(CC2CC2)c1	ZINC000601636176	362334052	/nfs/dbraw/zinc/33/40/52/362334052.db2.gz	HTWQMNGYGNVUDZ-UHFFFAOYSA-N	-1	0	256.269	0.562	20	30		CCEDRM
CSc1[n-]c(=O)c(C(=O)NC2COC2)cc1C#N	ZINC000601843750	362408966	/nfs/dbraw/zinc/40/89/66/362408966.db2.gz	SYVDUGUZGLMZHR-UHFFFAOYSA-N	-1	0	265.294	0.509	20	30		CCEDRM
COc1cc(CNC(=O)[C@H]2C[C@H]2C(=O)[O-])ccc1C#N	ZINC000601995025	362452912	/nfs/dbraw/zinc/45/29/12/362452912.db2.gz	QZDHJMATTPEJSE-WDEREUQCSA-N	-1	0	274.276	0.904	20	30		CCEDRM
CC(C)[C@H]1CCCN1C(=O)Cn1cc(C#N)c(=O)[n-]c1=O	ZINC000602079597	362475243	/nfs/dbraw/zinc/47/52/43/362475243.db2.gz	CKTMEGMRKXQCDT-LLVKDONJSA-N	-1	0	290.323	0.468	20	30		CCEDRM
CC(C)N(C(=O)Cn1cc(C#N)c(=O)[n-]c1=O)C1CCC1	ZINC000602112660	362497000	/nfs/dbraw/zinc/49/70/00/362497000.db2.gz	RZABGCFPHLDZPQ-UHFFFAOYSA-N	-1	0	290.323	0.610	20	30		CCEDRM
N#Cc1cn(CCC(=O)N2CC[C@H]3C[C@H]3C2)c(=O)[n-]c1=O	ZINC000602186434	362547224	/nfs/dbraw/zinc/54/72/24/362547224.db2.gz	GIPZUOUZCYXGQU-UWVGGRQHSA-N	-1	0	288.307	0.079	20	30		CCEDRM
CN(C[C@H]1CC1(C)C)C(=O)Cn1cc(C#N)c(=O)[n-]c1=O	ZINC000602189480	362548346	/nfs/dbraw/zinc/54/83/46/362548346.db2.gz	QRJAILCRXHFFQC-SNVBAGLBSA-N	-1	0	290.323	0.325	20	30		CCEDRM
C[C@@H]1CCN(C(=O)Cn2cc(C#N)c(=O)[n-]c2=O)[C@H](C)C1	ZINC000602167596	362537831	/nfs/dbraw/zinc/53/78/31/362537831.db2.gz	UIEDOCCUFYPTCN-NXEZZACHSA-N	-1	0	290.323	0.468	20	30		CCEDRM
N#Cc1cn(CC(=O)N2C[C@@H]3CCCC[C@@H]32)c(=O)[n-]c1=O	ZINC000602176976	362544495	/nfs/dbraw/zinc/54/44/95/362544495.db2.gz	UKDVJRZVVNYROG-ONGXEEELSA-N	-1	0	288.307	0.222	20	30		CCEDRM
C[C@@H]1COCC[C@@H]1NC(=O)N=c1[n-]n(C)cc1C#N	ZINC000617891603	365818352	/nfs/dbraw/zinc/81/83/52/365818352.db2.gz	UEXIVXKYBHCRTM-SCZZXKLOSA-N	-1	0	263.301	0.260	20	30		CCEDRM
CC1(C)CCCN(C(=O)c2n[nH]c(=O)[n-]c2=O)[C@@H]1C#N	ZINC000618037491	365874860	/nfs/dbraw/zinc/87/48/60/365874860.db2.gz	KLIYAPJBHYSFOE-SSDOTTSWSA-N	-1	0	277.284	0.437	20	30		CCEDRM
C=CCN(CC(=O)[O-])S(=O)(=O)N(CC)CC	ZINC000086138114	179236896	/nfs/dbraw/zinc/23/68/96/179236896.db2.gz	HROUQUXPZUTAEE-UHFFFAOYSA-N	-1	0	250.320	0.146	20	30		CCEDRM
CC[C@@H](NS(=O)(=O)Cc1ccc(C#N)cc1)C(=O)[O-]	ZINC000035098316	348155719	/nfs/dbraw/zinc/15/57/19/348155719.db2.gz	YYBMYPKJNMRCQN-LLVKDONJSA-N	-1	0	282.321	0.841	20	30		CCEDRM
CCC1(CNC(=O)N=c2[n-]n(C)cc2C#N)COC1	ZINC000602882161	362861895	/nfs/dbraw/zinc/86/18/95/362861895.db2.gz	RTAVKBRWZYGSCU-UHFFFAOYSA-N	-1	0	263.301	0.262	20	30		CCEDRM
Cn1cc(C#N)c(=NC(=O)NCCC(C)(F)F)[n-]1	ZINC000602881550	362861897	/nfs/dbraw/zinc/86/18/97/362861897.db2.gz	QYCZZZMBMJWDRY-UHFFFAOYSA-N	-1	0	257.244	0.880	20	30		CCEDRM
C[C@H]1O[C@@H](C)[C@H](C)[C@H]1NC(=O)N=c1[n-]n(C)cc1C#N	ZINC000602885040	362864006	/nfs/dbraw/zinc/86/40/06/362864006.db2.gz	YFASGURBAJUQAJ-WYOJIJJFSA-N	-1	0	277.328	0.647	20	30		CCEDRM
Cn1cc(C#N)c(=NC(=O)NC2(C(F)(F)F)CC2)[n-]1	ZINC000602885726	362864965	/nfs/dbraw/zinc/86/49/65/362864965.db2.gz	ZOWZLXGRXXZWOW-UHFFFAOYSA-N	-1	0	273.218	0.930	20	30		CCEDRM
C[C@H]1CCN(C(=O)N=c2[n-]n(C)cc2C#N)C[C@@H]1CO	ZINC000602886082	362865296	/nfs/dbraw/zinc/86/52/96/362865296.db2.gz	IYJNPGPHDANXPO-GXSJLCMTSA-N	-1	0	277.328	0.196	20	30		CCEDRM
CS[C@@H]1CCN(C(=O)N=c2[n-]n(C)cc2C#N)C1	ZINC000602880847	362860589	/nfs/dbraw/zinc/86/05/89/362860589.db2.gz	NGBGUXIMTWAKTE-SECBINFHSA-N	-1	0	265.342	0.683	20	30		CCEDRM
N#Cc1ccc(N2CCO[C@H](C(=O)[O-])C2)c([N+](=O)[O-])c1	ZINC000049871671	348461075	/nfs/dbraw/zinc/46/10/75/348461075.db2.gz	ZKDJWRRSXSSCAK-NSHDSACASA-N	-1	0	277.236	0.756	20	30		CCEDRM
C[C@H](C#N)CNS(=O)(=O)c1cccc(C(=O)[O-])c1	ZINC000054156475	348544207	/nfs/dbraw/zinc/54/42/07/348544207.db2.gz	RIIYRLBGNKWKEO-MRVPVSSYSA-N	-1	0	268.294	0.823	20	30		CCEDRM
C[C@@H](CNS(=O)(=O)Cc1ccc(C#N)cc1)C(=O)[O-]	ZINC000054333749	348550831	/nfs/dbraw/zinc/55/08/31/348550831.db2.gz	UFVKSHCWJRPZDQ-VIFPVBQESA-N	-1	0	282.321	0.698	20	30		CCEDRM
Cc1cc(C#N)ccc1S(=O)(=O)[N-]c1nnc[nH]1	ZINC000077966208	349126201	/nfs/dbraw/zinc/12/62/01/349126201.db2.gz	MUDLGWBOOVIRPI-UHFFFAOYSA-N	-1	0	263.282	0.786	20	30		CCEDRM
N#CC1CN(C(=O)N=c2[n-]nc([C@@H]3CCCO3)s2)C1	ZINC000603163925	362979362	/nfs/dbraw/zinc/97/93/62/362979362.db2.gz	JNQPCUYFRWIASI-QMMMGPOBSA-N	-1	0	279.325	0.799	20	30		CCEDRM
C=C(C)COCCNC(=O)N[C@]1(C(=O)[O-])CCOC1	ZINC000164147960	350776640	/nfs/dbraw/zinc/77/66/40/350776640.db2.gz	AHAFXQXSECHWSK-GFCCVEGCSA-N	-1	0	272.301	0.122	20	30		CCEDRM
C=CCSCCNC(=O)N1CCOC[C@@H]1C(=O)[O-]	ZINC000227387700	352049000	/nfs/dbraw/zinc/04/90/00/352049000.db2.gz	ANTJLISQEYEBQV-SECBINFHSA-N	-1	0	274.342	0.401	20	30		CCEDRM
Cc1nc(C[N-]S(=O)(=O)c2ccc(C#N)s2)no1	ZINC000231808960	352135034	/nfs/dbraw/zinc/13/50/34/352135034.db2.gz	MDDCVHKOOCGIPH-UHFFFAOYSA-N	-1	0	284.322	0.790	20	30		CCEDRM
N#Cc1ccc(O[C@H]2CCN(C(=O)C(=O)[O-])C2)nc1	ZINC000292067862	198150359	/nfs/dbraw/zinc/15/03/59/198150359.db2.gz	VGHIAURQBVLETR-VIFPVBQESA-N	-1	0	261.237	0.018	20	30		CCEDRM
C#CC(C)(C)NC(=O)c1cc(C)c2c(=O)[n-]c(=O)nc-2[nH]1	ZINC000266871503	352728194	/nfs/dbraw/zinc/72/81/94/352728194.db2.gz	XSCASOVUCMJTPJ-UHFFFAOYSA-N	-1	0	286.291	0.886	20	30		CCEDRM
CC#CC[C@@H](NS(=O)(=O)N(C)CCCC)C(=O)[O-]	ZINC000274997266	353178278	/nfs/dbraw/zinc/17/82/78/353178278.db2.gz	LLHKKMRXRJTZET-SNVBAGLBSA-N	-1	0	276.358	0.419	20	30		CCEDRM
CC#CC[C@H](NS(=O)(=O)c1ccccc1)C(=O)[O-]	ZINC000274920800	353173226	/nfs/dbraw/zinc/17/32/26/353173226.db2.gz	ARWZWBCHHXQRBY-NSHDSACASA-N	-1	0	267.306	0.832	20	30		CCEDRM
CSCCO[N-]C(=O)CNC(=O)c1ccc(C#N)cc1	ZINC000280166076	353344463	/nfs/dbraw/zinc/34/44/63/353344463.db2.gz	YUZXVIAXVCNVBF-UHFFFAOYSA-N	-1	0	293.348	0.699	20	30		CCEDRM
N#Cc1ccc(S(=O)(=O)NC2(C(=O)[O-])CCCC2)o1	ZINC000287494608	353649456	/nfs/dbraw/zinc/64/94/56/353649456.db2.gz	KXSRFRWDJNYCFI-UHFFFAOYSA-N	-1	0	284.293	0.827	20	30		CCEDRM
N#Cc1ccc(S(=O)(=O)NCCC[NH+]2CCCC2)o1	ZINC000286720713	353605885	/nfs/dbraw/zinc/60/58/85/353605885.db2.gz	SGOPGGCPYMQQGX-UHFFFAOYSA-N	-1	0	283.353	0.915	20	30		CCEDRM
Cc1cc(S(=O)(=O)N2CC[C@H]2C(=O)[O-])ccc1C#N	ZINC000290975049	353760637	/nfs/dbraw/zinc/76/06/37/353760637.db2.gz	PGTBAUXYZPEPLH-NSHDSACASA-N	-1	0	280.305	0.714	20	30		CCEDRM
CC[C@H](C)N(CC(=O)[O-])S(=O)(=O)c1cncc(C#N)c1	ZINC000290751447	353747430	/nfs/dbraw/zinc/74/74/30/353747430.db2.gz	YGUHXLILAGPICJ-VIFPVBQESA-N	-1	0	297.336	0.827	20	30		CCEDRM
COC[C@H](NC(=O)N=c1[n-]n(C)cc1C#N)[C@@H]1CCCO1	ZINC000618994221	366140793	/nfs/dbraw/zinc/14/07/93/366140793.db2.gz	MPUXCTCAUFBASH-QWRGUYRKSA-N	-1	0	293.327	0.029	20	30		CCEDRM
Cc1[nH]c(=O)c(C#N)c(C)c1CCC(=O)NC[C@@H](C)CO	ZINC000305047533	354125594	/nfs/dbraw/zinc/12/55/94/354125594.db2.gz	BKWLTYGMORJHAR-SECBINFHSA-N	-1	0	291.351	0.953	20	30		CCEDRM
C=CCCS(=O)(=O)N1CC[C@@H](C)[C@@H](C(=O)[O-])C1	ZINC000573967389	334981004	/nfs/dbraw/zinc/98/10/04/334981004.db2.gz	VVYAFKSDAPSCME-ZJUUUORDSA-N	-1	0	261.343	0.935	20	30		CCEDRM
Cn1cc(C#N)c(=NC(=O)c2cn(C(C)(C)C)nn2)[n-]1	ZINC000331125972	354458017	/nfs/dbraw/zinc/45/80/17/354458017.db2.gz	NRWHJEQXSIQFOI-UHFFFAOYSA-N	-1	0	273.300	0.312	20	30		CCEDRM
CCCN(CC(=O)[O-])S(=O)(=O)c1cncc(C#N)c1	ZINC000261589139	535282770	/nfs/dbraw/zinc/28/27/70/535282770.db2.gz	KNALURZTQDOKRG-UHFFFAOYSA-N	-1	0	283.309	0.439	20	30		CCEDRM
Cc1cc(COCC(=O)Nc2nc(C#N)c(C#N)[n-]2)on1	ZINC000338368117	355333906	/nfs/dbraw/zinc/33/39/06/355333906.db2.gz	VZMRRLWESFYXOS-UHFFFAOYSA-N	-1	0	286.251	0.605	20	30		CCEDRM
Cn1cc([N-]S(=O)(=O)c2ccc(C#N)cc2)nn1	ZINC000359464920	137950968	/nfs/dbraw/zinc/95/09/68/137950968.db2.gz	FFKPREIQFSRYJW-UHFFFAOYSA-N	-1	0	263.282	0.488	20	30		CCEDRM
N#Cc1ccc(C[C@@H](C#N)C(=O)NCc2nnn[n-]2)cc1	ZINC000619372179	366241990	/nfs/dbraw/zinc/24/19/90/366241990.db2.gz	YYIOMMLMRRYSIN-NSHDSACASA-N	-1	0	281.279	0.070	20	30		CCEDRM
CC(C)(NC(=O)Cc1ccc(C#N)cc1)c1nnn[n-]1	ZINC000354778159	356496618	/nfs/dbraw/zinc/49/66/18/356496618.db2.gz	TXALZUWOKFZFGD-UHFFFAOYSA-N	-1	0	270.296	0.665	20	30		CCEDRM
N#CCc1cccc(S(=O)(=O)NCC(=O)[O-])c1	ZINC000619470040	366264545	/nfs/dbraw/zinc/26/45/45/366264545.db2.gz	BFISBQPXOIZWOM-UHFFFAOYSA-N	-1	0	254.267	0.116	20	30		CCEDRM
COC(=O)c1ccc(=NC(=O)Cc2cccc(C#N)c2)[n-]n1	ZINC000619604540	366296023	/nfs/dbraw/zinc/29/60/23/366296023.db2.gz	KCEKXQJNJQTBEA-UHFFFAOYSA-N	-1	0	296.286	0.738	20	30		CCEDRM
COc1cc(C#N)ccc1S(=O)(=O)[N-]c1cn(C)nn1	ZINC000359464320	356826888	/nfs/dbraw/zinc/82/68/88/356826888.db2.gz	CKPBFMZITOZZDB-UHFFFAOYSA-N	-1	0	293.308	0.496	20	30		CCEDRM
Cn1cc(C#N)c(=NC(=O)NCCc2ccco2)[n-]1	ZINC000610562169	363576204	/nfs/dbraw/zinc/57/62/04/363576204.db2.gz	JQFCBNIAYSFJTH-UHFFFAOYSA-N	-1	0	259.269	0.671	20	30		CCEDRM
Cn1cc(C#N)c(=NC(=O)NCc2cccc(C(N)=O)c2)[n-]1	ZINC000610561180	363576982	/nfs/dbraw/zinc/57/69/82/363576982.db2.gz	QSMIKNDTRIGGCW-UHFFFAOYSA-N	-1	0	298.306	0.134	20	30		CCEDRM
COCCCCCNC(=O)N=c1[n-]n(C)cc1C#N	ZINC000610562893	363578006	/nfs/dbraw/zinc/57/80/06/363578006.db2.gz	JXRIZYYFGCOAAC-UHFFFAOYSA-N	-1	0	265.317	0.652	20	30		CCEDRM
Cn1cc(C#N)c(=NC(=O)NC[C@H](O)CC(C)(C)C)[n-]1	ZINC000610562688	363578156	/nfs/dbraw/zinc/57/81/56/363578156.db2.gz	BPPVDRZKCVGGAX-SNVBAGLBSA-N	-1	0	279.344	0.632	20	30		CCEDRM
C[C@H]1CN(C(=O)N=c2[n-]n(C)cc2C#N)CC(C)(C)O1	ZINC000610564204	363579646	/nfs/dbraw/zinc/57/96/46/363579646.db2.gz	GCRUCSQTTLTXQO-VIFPVBQESA-N	-1	0	277.328	0.745	20	30		CCEDRM
C[C@]1(C(=O)[O-])CCCN1S(=O)(=O)c1ccc(C#N)o1	ZINC000376674511	357491553	/nfs/dbraw/zinc/49/15/53/357491553.db2.gz	SYCMGZZTCMFLTL-LLVKDONJSA-N	-1	0	284.293	0.779	20	30		CCEDRM
C[C@]12CCC(=O)N1[C@@H](C(=O)N=c1[nH][n-]cc1C#N)CS2	ZINC000610620426	363587405	/nfs/dbraw/zinc/58/74/05/363587405.db2.gz	CWCIYOQZAYMAIY-PELKAZGASA-N	-1	0	291.336	0.096	20	30		CCEDRM
COC[C@@H]1CCCN1C(=O)N=c1[n-]n(C)cc1C#N	ZINC000610634649	363589584	/nfs/dbraw/zinc/58/95/84/363589584.db2.gz	XPKQZXAXURWFKH-JTQLQIEISA-N	-1	0	263.301	0.356	20	30		CCEDRM
C=CCOC[C@@H](NC(=O)NC1CCOCC1)C(=O)[O-]	ZINC000684722088	545728003	/nfs/dbraw/zinc/72/80/03/545728003.db2.gz	DSUVFYSPJRNGPS-SNVBAGLBSA-N	-1	0	272.301	0.120	20	30		CCEDRM
N#Cc1ccc(C(=O)[N-]S(=O)(=O)[C@@H]2CCCOC2)cc1	ZINC000408409405	358078873	/nfs/dbraw/zinc/07/88/73/358078873.db2.gz	XPOITOSAGJSSPB-GFCCVEGCSA-N	-1	0	294.332	0.797	20	30		CCEDRM
C[C@@H]1C[C@@H](C(=O)[N-]S(=O)(=O)c2cncc(C#N)c2)CO1	ZINC000408489603	358109796	/nfs/dbraw/zinc/10/97/96/358109796.db2.gz	UPHCBLOQRKRGQR-PSASIEDQSA-N	-1	0	295.320	0.183	20	30		CCEDRM
C=CCOC[C@@H](NC(=O)NC1CC=CC1)C(=O)[O-]	ZINC000684735213	545730478	/nfs/dbraw/zinc/73/04/78/545730478.db2.gz	JFFGWDBWXSCTNX-SNVBAGLBSA-N	-1	0	254.286	0.660	20	30		CCEDRM
C[C@H](C[C@@H]1CCOC1)NC(=O)N=c1[n-]n(C)cc1C#N	ZINC000610744170	363606551	/nfs/dbraw/zinc/60/65/51/363606551.db2.gz	CUMSXKDMBFBJSM-ZJUUUORDSA-N	-1	0	277.328	0.650	20	30		CCEDRM
C[C@H]1N(C(=O)N=c2[n-]n(C)cc2C#N)CCOC1(C)C	ZINC000610821399	363617167	/nfs/dbraw/zinc/61/71/67/363617167.db2.gz	QQUKUOWRFFJTQV-SECBINFHSA-N	-1	0	277.328	0.745	20	30		CCEDRM
CC[C@@H](CCNS(=O)(=O)CCCC#N)C(=O)[O-]	ZINC000572339021	358928791	/nfs/dbraw/zinc/92/87/91/358928791.db2.gz	JPLVDVPAYZYYGQ-VIFPVBQESA-N	-1	0	262.331	0.710	20	30		CCEDRM
N#CC1(CS(=O)(=O)N[C@H]2C[C@H](C(=O)[O-])C2)CCCC1	ZINC000573597980	358982270	/nfs/dbraw/zinc/98/22/70/358982270.db2.gz	ZIKDFIPUVCEZEP-MGCOHNPYSA-N	-1	0	286.353	0.853	20	30		CCEDRM
C=CCOC[C@H](NS(=O)(=O)c1ccco1)C(=O)[O-]	ZINC000573680767	358989203	/nfs/dbraw/zinc/98/92/03/358989203.db2.gz	FIPCKSQKRVPJRL-QMMMGPOBSA-N	-1	0	275.282	0.214	20	30		CCEDRM
C=C[C@H](CCC(=O)[O-])NS(=O)(=O)c1cccn1C	ZINC000582288458	359129433	/nfs/dbraw/zinc/12/94/33/359129433.db2.gz	ORDPTPFNUXHVLE-SECBINFHSA-N	-1	0	272.326	0.723	20	30		CCEDRM
C[C@H]1COCC[C@@H]1CNC(=O)N=c1[n-]n(C)cc1C#N	ZINC000588259042	359320054	/nfs/dbraw/zinc/32/00/54/359320054.db2.gz	VJQDVBUYBVGIIS-VHSXEESVSA-N	-1	0	277.328	0.508	20	30		CCEDRM
COC[C@@H](NC(=O)N=c1[n-]n(C)cc1C#N)C1CC1	ZINC000611007112	363648201	/nfs/dbraw/zinc/64/82/01/363648201.db2.gz	JNARZECZEXZZKW-SNVBAGLBSA-N	-1	0	263.301	0.260	20	30		CCEDRM
Cc1[n-][nH]c(=NC(=O)c2ccccc2-n2cnnn2)c1C#N	ZINC000588718354	359334263	/nfs/dbraw/zinc/33/42/63/359334263.db2.gz	RLJPWOBZICOVDT-UHFFFAOYSA-N	-1	0	294.278	0.240	20	30		CCEDRM
Cn1cc(C#N)c(=NC(=O)N2CC(F)(F)C(F)(F)C2)[n-]1	ZINC000590957419	359542140	/nfs/dbraw/zinc/54/21/40/359542140.db2.gz	DWPBFRMRQRGNQA-UHFFFAOYSA-N	-1	0	291.208	0.832	20	30		CCEDRM
Cn1cc(C#N)c(=NC(=O)NC(C)(C)C[NH+](C)C)[n-]1	ZINC000590822537	359526980	/nfs/dbraw/zinc/52/69/80/359526980.db2.gz	XJXAICPATUOTLM-UHFFFAOYSA-N	-1	0	264.333	0.175	20	30		CCEDRM
N#Cc1cnc(N2CCO[C@@H](C(=O)[O-])C2)c(Cl)c1	ZINC000591325423	359577549	/nfs/dbraw/zinc/57/75/49/359577549.db2.gz	RDQTWOZCJGHUNS-SECBINFHSA-N	-1	0	267.672	0.896	20	30		CCEDRM
N#C[C@H]1CC[C@@H](NC(=O)NCC2(C(=O)[O-])CCOCC2)C1	ZINC000592211698	359799930	/nfs/dbraw/zinc/79/99/30/359799930.db2.gz	KZUOSFMLFHRHFI-WDEREUQCSA-N	-1	0	295.339	0.859	20	30		CCEDRM
CO[C@@H](CS(=O)(=O)[N-]c1nn(C)cc1C#N)C(C)C	ZINC000592352256	359823661	/nfs/dbraw/zinc/82/36/61/359823661.db2.gz	XTDFKHBNPGPXML-JTQLQIEISA-N	-1	0	286.357	0.704	20	30		CCEDRM
N#CC1(C(=O)N=c2nc3ccccn3[n-]2)CCOCC1	ZINC000611192042	363677687	/nfs/dbraw/zinc/67/76/87/363677687.db2.gz	MLPFUYJHEQTOQM-UHFFFAOYSA-N	-1	0	271.280	0.410	20	30		CCEDRM
N#Cc1nc(NC(=O)[C@@H]2CCc3cncn3C2)[n-]c1C#N	ZINC000563203270	291205307	/nfs/dbraw/zinc/20/53/07/291205307.db2.gz	RUGVAFFKMDTUIR-MRVPVSSYSA-N	-1	0	281.279	0.551	20	30		CCEDRM
Cc1c(C#N)c(=NC(=O)[C@@H]2COc3ccccc3O2)[n-]n1C	ZINC000592646519	359908397	/nfs/dbraw/zinc/90/83/97/359908397.db2.gz	KOYMMVSCYOYPSZ-ZDUSSCGKSA-N	-1	0	298.302	0.801	20	30		CCEDRM
CC#CC[C@@H](CO)NC(=O)c1ccc([N+](=O)[O-])c([O-])c1	ZINC000592925220	359983404	/nfs/dbraw/zinc/98/34/04/359983404.db2.gz	MXMKSFFODITEJO-JTQLQIEISA-N	-1	0	278.264	0.805	20	30		CCEDRM
C[C@H](C(=O)[O-])C1(NS(=O)(=O)CC2(CC#N)CC2)CC1	ZINC000593275921	360059784	/nfs/dbraw/zinc/05/97/84/360059784.db2.gz	ZSHNGWCPVKLFRQ-SECBINFHSA-N	-1	0	286.353	0.853	20	30		CCEDRM
N#CC1(C(=O)N2C[C@@H](C(=O)[O-])[C@H](C3CC3)C2)CCOCC1	ZINC000593703982	360138309	/nfs/dbraw/zinc/13/83/09/360138309.db2.gz	USWNNGURVFITGD-NWDGAFQWSA-N	-1	0	292.335	0.876	20	30		CCEDRM
CC(C)[C@@H](CNC(=O)N=c1ccn(CCC#N)[nH]1)C(=O)[O-]	ZINC000593956965	360221947	/nfs/dbraw/zinc/22/19/47/360221947.db2.gz	VGDUWMIICKSVSZ-SNVBAGLBSA-N	-1	0	293.327	0.697	20	30		CCEDRM
COc1ccc(C(=O)N=c2[n-]n(C)c(C)c2C#N)o1	ZINC000594053993	360243879	/nfs/dbraw/zinc/24/38/79/360243879.db2.gz	SRPBVDWZIUDANX-UHFFFAOYSA-N	-1	0	260.253	0.876	20	30		CCEDRM
CN(Cc1nccn1C)C(=O)N=c1[n-]n(C)cc1C#N	ZINC000611388812	363712448	/nfs/dbraw/zinc/71/24/48/363712448.db2.gz	HHMOULMSYMPUDM-UHFFFAOYSA-N	-1	0	273.300	0.111	20	30		CCEDRM
CSCCN(CC(=O)[O-])S(=O)(=O)CCCCC#N	ZINC000594670737	360358619	/nfs/dbraw/zinc/35/86/19/360358619.db2.gz	KGILOYIYSQTIGQ-UHFFFAOYSA-N	-1	0	294.398	0.760	20	30		CCEDRM
Cc1cc(=NC(=O)C(=O)N2CC[C@](C)(C#N)C2)[n-]nc1C	ZINC000595212155	360451636	/nfs/dbraw/zinc/45/16/36/360451636.db2.gz	HJOPZYWGRCRCCV-CQSZACIVSA-N	-1	0	287.323	0.216	20	30		CCEDRM
N#C[C@H]1CC[C@@H](NC(=O)C(=O)NCC2(C(=O)[O-])CCC2)C1	ZINC000595261292	360464750	/nfs/dbraw/zinc/46/47/50/360464750.db2.gz	PCOAFKOVJKVUQZ-VHSXEESVSA-N	-1	0	293.323	0.166	20	30		CCEDRM
COC(=O)c1ccc(N(C)C[C@@H](C)C(=O)[O-])c(C#N)n1	ZINC000595970287	360743893	/nfs/dbraw/zinc/74/38/93/360743893.db2.gz	VNHXYFAGCXREQG-MRVPVSSYSA-N	-1	0	277.280	0.897	20	30		CCEDRM
N#Cc1ccncc1N1C[C@@H]2COC[C@]2(C(=O)[O-])C1	ZINC000595974545	360749412	/nfs/dbraw/zinc/74/94/12/360749412.db2.gz	XUCPKUUFZWQFKW-ZWNOBZJWSA-N	-1	0	259.265	0.491	20	30		CCEDRM
Cc1cc(C#N)cc(N[C@@H]2C[C@H](C(=O)[O-])C[C@H]2O)n1	ZINC000595977386	360753858	/nfs/dbraw/zinc/75/38/58/360753858.db2.gz	GDMKWYVVJSPCNH-HBNTYKKESA-N	-1	0	261.281	0.898	20	30		CCEDRM
CN(CCC#N)S(=O)(=O)NC[C@H](C(=O)[O-])C1CCC1	ZINC000596026780	360777664	/nfs/dbraw/zinc/77/76/64/360777664.db2.gz	MTWFFQVWDYVSRF-JTQLQIEISA-N	-1	0	289.357	0.167	20	30		CCEDRM
N#Cc1ccc(C=CC(=O)NCCc2nc(=O)o[n-]2)cc1	ZINC000493531357	238192440	/nfs/dbraw/zinc/19/24/40/238192440.db2.gz	UXGPVUKZWRALPY-WAYWQWQTSA-N	-1	0	284.275	0.607	20	30		CCEDRM
N#Cc1cccc(C=CC(=O)NCCc2nc(=O)o[n-]2)c1	ZINC000493558333	238205709	/nfs/dbraw/zinc/20/57/09/238205709.db2.gz	QJGQPZCJUBQQOQ-SNAWJCMRSA-N	-1	0	284.275	0.607	20	30		CCEDRM
CO[C@@H](C(=O)Nc1nc(C#N)c(C#N)[n-]1)C1CCC1	ZINC000598663787	361475060	/nfs/dbraw/zinc/47/50/60/361475060.db2.gz	REJYBUUWLGUDET-SNVBAGLBSA-N	-1	0	259.269	0.907	20	30		CCEDRM
CO[C@H]1CC[C@H](C(=O)N=c2[n-]n(C)c(C)c2C#N)C1	ZINC000598843105	361524827	/nfs/dbraw/zinc/52/48/27/361524827.db2.gz	JRINWKXIIYMCDH-UWVGGRQHSA-N	-1	0	262.313	0.776	20	30		CCEDRM
C=C(CC)C[N-]S(=O)(=O)c1cc(C(=O)OC)no1	ZINC000599332629	361655100	/nfs/dbraw/zinc/65/51/00/361655100.db2.gz	UVBOLDQXIBDQQH-UHFFFAOYSA-N	-1	0	274.298	0.706	20	30		CCEDRM
C=CCCCCNC(=O)C(=O)NC[C@@H](C)C(=O)[O-]	ZINC000656006763	412731589	/nfs/dbraw/zinc/73/15/89/412731589.db2.gz	UJOJIBFHLMEGTN-SECBINFHSA-N	-1	0	256.302	0.296	20	30		CCEDRM
CC(C)[C@H](CC(=O)[O-])NS(=O)(=O)CC1(C#N)CC1	ZINC000614352221	364581340	/nfs/dbraw/zinc/58/13/40/364581340.db2.gz	WHIIMYMJKGUYGI-VIFPVBQESA-N	-1	0	274.342	0.709	20	30		CCEDRM
N#Cc1ccc(S(=O)(=O)N(CCO)CCC(=O)[O-])cc1	ZINC000614375941	364587729	/nfs/dbraw/zinc/58/77/29/364587729.db2.gz	JWCAXHHKMOOTLC-UHFFFAOYSA-N	-1	0	298.320	0.016	20	30		CCEDRM
Cn1cc(C#N)c(=NC(=O)N2CCc3ncsc3C2)[n-]1	ZINC000615025408	364822028	/nfs/dbraw/zinc/82/20/28/364822028.db2.gz	IJPCMKRQKRDJSX-UHFFFAOYSA-N	-1	0	288.336	0.760	20	30		CCEDRM
N#CC1(NC(=O)CSc2n[n-]c(=N)n2C2CC2)CCC1	ZINC000615170982	364866480	/nfs/dbraw/zinc/86/64/80/364866480.db2.gz	NUTRQQWWSBXBAU-UHFFFAOYSA-N	-1	0	292.368	0.680	20	30		CCEDRM
C=C[C@@H]1OCC[C@H]1CNC(=O)c1cc(=O)n(C)[n-]1	ZINC000616409893	365312010	/nfs/dbraw/zinc/31/20/10/365312010.db2.gz	YHLHOTHOCGJRDN-WPRPVWTQSA-N	-1	0	251.286	0.447	20	30		CCEDRM
C=CCC[C@@H](CO)NC(=O)c1c[n-]n2c1nccc2=O	ZINC000622095814	367022168	/nfs/dbraw/zinc/02/21/68/367022168.db2.gz	YLJYFGZDCFFQNS-VIFPVBQESA-N	-1	0	276.296	0.080	20	30		CCEDRM
N#Cc1c[n-]c(=O)n(C[C@@H]2CCC3(CCCC3)O2)c1=O	ZINC000566855307	291442896	/nfs/dbraw/zinc/44/28/96/291442896.db2.gz	NNFUZJKIJKNCGC-NSHDSACASA-N	-1	0	275.308	0.900	20	30		CCEDRM
C=C(C)CS(=O)(=O)N1CC[C@@H](C(=O)[O-])C(F)(F)C1	ZINC000574269261	335005204	/nfs/dbraw/zinc/00/52/04/335005204.db2.gz	ALDOQDWEHLRTSR-QMMMGPOBSA-N	-1	0	283.296	0.934	20	30		CCEDRM
C=CCCS(=O)(=O)N[C@H](C[C@H]1CCCOC1)C(=O)[O-]	ZINC000629338709	369635141	/nfs/dbraw/zinc/63/51/41/369635141.db2.gz	PZNRWQOMDSAJJM-GHMZBOCLSA-N	-1	0	291.369	0.752	20	30		CCEDRM
C=CCOC[C@H](NC(=O)c1cnc(C)nc1C)C(=O)[O-]	ZINC000630186483	369995820	/nfs/dbraw/zinc/99/58/20/369995820.db2.gz	SIVZQKPVJYGEFL-NSHDSACASA-N	-1	0	279.296	0.479	20	30		CCEDRM
C=CCOC[C@H](NC(=O)[C@@H]1C[C@H](C)O[C@H]1C)C(=O)[O-]	ZINC000630186605	369995923	/nfs/dbraw/zinc/99/59/23/369995923.db2.gz	WLUSFPBMVHDHPF-MMWGEVLESA-N	-1	0	271.313	0.572	20	30		CCEDRM
C=CCOC[C@H](NC(=O)[C@H](OCC)C(C)C)C(=O)[O-]	ZINC000630187028	369995958	/nfs/dbraw/zinc/99/59/58/369995958.db2.gz	HGVMFYFUWAACCO-WDEREUQCSA-N	-1	0	273.329	0.820	20	30		CCEDRM
C=CCOC[C@H](NC(=O)[C@@H]1[C@H](C)O[C@H](C)[C@H]1C)C(=O)[O-]	ZINC000630186833	369996357	/nfs/dbraw/zinc/99/63/57/369996357.db2.gz	ZCBLBYRYGUAGRD-GCHJQGSQSA-N	-1	0	285.340	0.818	20	30		CCEDRM
C=C(C)C[C@@H](NC(=O)CC(=O)NCC(F)(F)F)C(=O)[O-]	ZINC000630320364	370046000	/nfs/dbraw/zinc/04/60/00/370046000.db2.gz	UORQOUWWCGKMDH-SSDOTTSWSA-N	-1	0	296.245	0.591	20	30		CCEDRM
C=C(C)C[C@@H](NC(=O)CN1CCCCC1=O)C(=O)[O-]	ZINC000630320967	370046888	/nfs/dbraw/zinc/04/68/88/370046888.db2.gz	CWKQFUMSXSBIHL-SNVBAGLBSA-N	-1	0	268.313	0.535	20	30		CCEDRM
C=C(C)C[C@H](NC(=O)Cc1nc(C2CC2)nn1C)C(=O)[O-]	ZINC000630322671	370047073	/nfs/dbraw/zinc/04/70/73/370047073.db2.gz	UMRHFTJAGGYUFK-JTQLQIEISA-N	-1	0	292.339	0.771	20	30		CCEDRM
C=CCC[C@@H](NC(=O)c1cn(C2CC2)nn1)C(=O)[O-]	ZINC000630180399	369992708	/nfs/dbraw/zinc/99/27/08/369992708.db2.gz	BWCUBHDSSDZFTF-SECBINFHSA-N	-1	0	264.285	0.762	20	30		CCEDRM
C=C(C)C[C@@H](NC(=O)[C@H](C)n1cccn1)C(=O)[O-]	ZINC000630317511	370045079	/nfs/dbraw/zinc/04/50/79/370045079.db2.gz	RBBPYBJBZHAZAH-VHSXEESVSA-N	-1	0	251.286	0.980	20	30		CCEDRM
C=C(C)C[C@H](NS(=O)(=O)[C@H]1CCO[C@@H]1C)C(=O)[O-]	ZINC000630437986	370116320	/nfs/dbraw/zinc/11/63/20/370116320.db2.gz	KFEAOXPQGCBOJM-UTLUCORTSA-N	-1	0	277.342	0.503	20	30		CCEDRM
C=C(C)C[C@@H](NC(=O)NCC[C@H](COC)OC)C(=O)[O-]	ZINC000630481548	370130218	/nfs/dbraw/zinc/13/02/18/370130218.db2.gz	MPFARIMXWWWWIM-GHMZBOCLSA-N	-1	0	288.344	0.757	20	30		CCEDRM
C=CCOC[C@H](NC(=O)N[C@@H]1CO[C@H](C2CC2)C1)C(=O)[O-]	ZINC000630494427	370134984	/nfs/dbraw/zinc/13/49/84/370134984.db2.gz	PSOHLODCTJTEFY-SRVKXCTJSA-N	-1	0	298.339	0.509	20	30		CCEDRM
C=C[C@@H]1OCC[C@H]1NC(=O)[C@@H]1[C@H](C(=O)[O-])C1(C)C	ZINC000634840767	372267466	/nfs/dbraw/zinc/26/74/66/372267466.db2.gz	UYCVLAWXQYVWRI-XFWSIPNHSA-N	-1	0	253.298	0.803	20	30		CCEDRM
C=CCC1(NS(=O)(=O)CCCC(=O)[O-])CCOCC1	ZINC000656720811	412847421	/nfs/dbraw/zinc/84/74/21/412847421.db2.gz	CZDTZBRSWPMHRR-UHFFFAOYSA-N	-1	0	291.369	0.896	20	30		CCEDRM
CCCSc1nc(=NC(=O)NCC#CCO)s[n-]1	ZINC000639821762	376031529	/nfs/dbraw/zinc/03/15/29/376031529.db2.gz	NWXORGFKQWXRSG-UHFFFAOYSA-N	-1	0	286.382	0.579	20	30		CCEDRM
C=C(C)CCNC(=O)N=c1ccc(C(=O)NC)n[n-]1	ZINC000640328098	376324016	/nfs/dbraw/zinc/32/40/16/376324016.db2.gz	WBAAETIPSVDVSV-UHFFFAOYSA-N	-1	0	263.301	0.346	20	30		CCEDRM
C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)[C@H](C)C(=O)[O-]	ZINC000133232642	284831805	/nfs/dbraw/zinc/83/18/05/284831805.db2.gz	MUVGFWBGFKKJQN-DTWKUNHWSA-N	-1	0	282.321	0.946	20	30		CCEDRM
C[C@H](CN(C)S(=O)(=O)c1ccc(C#N)cc1)C(=O)[O-]	ZINC000042703645	388867382	/nfs/dbraw/zinc/86/73/82/388867382.db2.gz	VYVPPXASXIQUGQ-SECBINFHSA-N	-1	0	282.321	0.899	20	30		CCEDRM
C#CCO[N-]C(=O)[C@@H](CCS(C)(=O)=O)c1ccccc1	ZINC000291201907	388919085	/nfs/dbraw/zinc/91/90/85/388919085.db2.gz	HPTUJTBDKTZDCT-ZDUSSCGKSA-N	-1	0	295.360	0.886	20	30		CCEDRM
C#CCO[N-]C(=O)CN1C(=O)N[C@@]2(CCCC[C@@H]2C)C1=O	ZINC000291285549	388919858	/nfs/dbraw/zinc/91/98/58/388919858.db2.gz	PAKWSRMWDTZQDF-IINYFYTJSA-N	-1	0	293.323	0.168	20	30		CCEDRM
C#CCO[N-]C(=O)CN1C(=S)N=NC1CCC	ZINC000291324941	388921108	/nfs/dbraw/zinc/92/11/08/388921108.db2.gz	TYYDSBYNSGYYHH-UHFFFAOYSA-N	-1	0	254.315	0.200	20	30		CCEDRM
C=CCC[C@@H](NC(=O)NCCn1cccn1)C(=O)[O-]	ZINC000315695362	389118124	/nfs/dbraw/zinc/11/81/24/389118124.db2.gz	AKYLMNFFHCYCSF-SNVBAGLBSA-N	-1	0	266.301	0.602	20	30		CCEDRM
C=CCCO[C@H](C)C(=O)Nc1ccn(CC(=O)[O-])n1	ZINC000122859323	389153234	/nfs/dbraw/zinc/15/32/34/389153234.db2.gz	AQIYZDFXGWFIDU-SECBINFHSA-N	-1	0	267.285	0.887	20	30		CCEDRM
Cn1cnc(CNS(=O)(=O)Cc2ccc(C#N)cc2)n1	ZINC000236135428	389167897	/nfs/dbraw/zinc/16/78/97/389167897.db2.gz	YOLQYPWQEHTDMP-UHFFFAOYSA-N	-1	0	291.336	0.306	20	30		CCEDRM
C=C[C@](C)(CCOC)C(=O)N1CCO[C@@H](c2nnn[n-]2)C1	ZINC000363686202	389251800	/nfs/dbraw/zinc/25/18/00/389251800.db2.gz	JWNVBQPPFCDFRB-ZWNOBZJWSA-N	-1	0	295.343	0.328	20	30		CCEDRM
CC#CCNC(=O)Cc1c(C)nc(-c2ncccn2)[n-]c1=O	ZINC000343004163	389256469	/nfs/dbraw/zinc/25/64/69/389256469.db2.gz	RXHNHRJWDVUEKW-UHFFFAOYSA-N	-1	0	297.318	0.630	20	30		CCEDRM
C[C@@H](CCS(C)(=O)=O)NC(=O)N=c1[n-]ncs1	ZINC000331035923	389291418	/nfs/dbraw/zinc/29/14/18/389291418.db2.gz	ZUYNNUMLAKIHHE-LURJTMIESA-N	-1	0	278.359	0.109	20	30		CCEDRM
C[C@]1(C(=O)[N-]S(=O)(=O)c2cncc(C#N)c2)CCCO1	ZINC000408486956	389367394	/nfs/dbraw/zinc/36/73/94/389367394.db2.gz	KSHSXHAJFPNLBS-GFCCVEGCSA-N	-1	0	295.320	0.327	20	30		CCEDRM
C=CCNC(=O)[C@@H]([N-]C(=O)C(F)(F)F)C(C)C	ZINC000274182016	389495338	/nfs/dbraw/zinc/49/53/38/389495338.db2.gz	JDXDHJDJOITUCP-ZETCQYMHSA-N	-1	0	252.236	0.992	20	30		CCEDRM
N#Cc1ncn(CC(=O)N[C@H](C(=O)[O-])c2ccccc2)n1	ZINC000178296881	389601957	/nfs/dbraw/zinc/60/19/57/389601957.db2.gz	UBZUDRRGGZQVFV-LBPRGKRZSA-N	-1	0	285.263	0.092	20	30		CCEDRM
CCSc1nccnc1C(=O)N=c1[n-]n(C)cc1C#N	ZINC000430691068	389818114	/nfs/dbraw/zinc/81/81/14/389818114.db2.gz	IDETZLTYPJEDHW-UHFFFAOYSA-N	-1	0	288.336	0.868	20	30		CCEDRM
N#CCC1(CNC(=O)N=c2nc3ccccn3[n-]2)CC1	ZINC000432434628	389880612	/nfs/dbraw/zinc/88/06/12/389880612.db2.gz	NUSMRSCZQLKDPY-UHFFFAOYSA-N	-1	0	270.296	0.967	20	30		CCEDRM
N#Cc1cccc(C#N)c1NCCc1n[n-]c(=N)o1	ZINC000436338813	389975043	/nfs/dbraw/zinc/97/50/43/389975043.db2.gz	XWQGPILACHVVHP-UHFFFAOYSA-N	-1	0	254.253	0.880	20	30		CCEDRM
N#CCc1cccc(C(=O)NCCc2nc(=O)o[n-]2)c1	ZINC000447633100	389960508	/nfs/dbraw/zinc/96/05/08/389960508.db2.gz	UOCOCWFOBZGZCU-UHFFFAOYSA-N	-1	0	272.264	0.401	20	30		CCEDRM
N#Cc1ccc([C@H](Sc2n[nH]c(=O)[n-]2)C(N)=O)cc1	ZINC000446066524	389929489	/nfs/dbraw/zinc/92/94/89/389929489.db2.gz	BNLGPSYGRXZICJ-QMMMGPOBSA-N	-1	0	275.293	0.701	20	30		CCEDRM
C=CCn1cc(C(=O)N[C@H](CC(C)C)C(=O)[O-])nn1	ZINC000647727974	390148207	/nfs/dbraw/zinc/14/82/07/390148207.db2.gz	OEXRWBQWVZBGQZ-SECBINFHSA-N	-1	0	266.301	0.693	20	30		CCEDRM
N#Cc1cc(C(=O)N2CCC[C@H](c3nnn[n-]3)C2)c[nH]1	ZINC000538709337	390197262	/nfs/dbraw/zinc/19/72/62/390197262.db2.gz	LJAOPNICONBRIM-QMMMGPOBSA-N	-1	0	271.284	0.419	20	30		CCEDRM
CC#CC[C@@H](NS(=O)(=O)N1CCC(C)CC1)C(=O)[O-]	ZINC000543787316	390293752	/nfs/dbraw/zinc/29/37/52/390293752.db2.gz	KUEXWMHEPHSTRF-LLVKDONJSA-N	-1	0	288.369	0.419	20	30		CCEDRM
C=CCC1(C(=O)NCc2nnn[n-]2)CCOCC1	ZINC000644634445	390271816	/nfs/dbraw/zinc/27/18/16/390271816.db2.gz	CIXCXGSIHLBULC-UHFFFAOYSA-N	-1	0	251.290	0.189	20	30		CCEDRM
C=CCN=c1[n-]nc(SCC(C)(CO)CO)s1	ZINC000584004934	390333920	/nfs/dbraw/zinc/33/39/20/390333920.db2.gz	ATOZWOSDCZQHGL-UHFFFAOYSA-N	-1	0	275.399	0.641	20	30		CCEDRM
C=C[C@@H]1OCC[C@H]1CNS(=O)(=O)CCCC(=O)[O-]	ZINC000584527526	390351985	/nfs/dbraw/zinc/35/19/85/390351985.db2.gz	QETBJVURBXWQDF-UWVGGRQHSA-N	-1	0	277.342	0.362	20	30		CCEDRM
C=CCCS(=O)(=O)N[C@](C)(COC)CC(=O)[O-]	ZINC000564927637	390497977	/nfs/dbraw/zinc/49/79/77/390497977.db2.gz	ZCBGBVRSJZPXTN-JTQLQIEISA-N	-1	0	265.331	0.362	20	30		CCEDRM
C=C(C)CS(=O)(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)[O-]	ZINC000565056464	390499527	/nfs/dbraw/zinc/49/95/27/390499527.db2.gz	WVJNAKREDPDATB-LBPRGKRZSA-N	-1	0	299.348	0.883	20	30		CCEDRM
C=C[C@@](C)(O)CC(=O)N1CCC[C@@H](c2n[nH]c(=O)[n-]2)C1	ZINC000565308105	390501703	/nfs/dbraw/zinc/50/17/03/390501703.db2.gz	TWHUFABHZQBTKM-NOZJJQNGSA-N	-1	0	280.328	0.543	20	30		CCEDRM
C=CCC[C@H](NS(=O)(=O)C[C@@H](C)OC)C(=O)[O-]	ZINC000516179294	390479934	/nfs/dbraw/zinc/47/99/34/390479934.db2.gz	KJDWQZLKOOLKII-BDAKNGLRSA-N	-1	0	265.331	0.360	20	30		CCEDRM
C=CCn1cc(C(=O)N2CCC[C@](C)(C(=O)[O-])C2)nn1	ZINC000649251584	390538569	/nfs/dbraw/zinc/53/85/69/390538569.db2.gz	GJNARBHSRRJEQD-ZDUSSCGKSA-N	-1	0	278.312	0.791	20	30		CCEDRM
C=C(C)[C@H]1OCC[C@H]1C(=O)N[C@H](CCOC)C(=O)[O-]	ZINC000520411657	390573131	/nfs/dbraw/zinc/57/31/31/390573131.db2.gz	AVWRODOPPXBLMC-GMTAPVOTSA-N	-1	0	271.313	0.574	20	30		CCEDRM
C=C(C)CS(=O)(=O)N[C@@H](CC(=O)CC)C(=O)[O-]	ZINC000568001688	390711987	/nfs/dbraw/zinc/71/19/87/390711987.db2.gz	FJVZCNAVGCZRSC-VIFPVBQESA-N	-1	0	263.315	0.304	20	30		CCEDRM
CN(CCC#N)S(=O)(=O)N1CCC[C@@]1(C)C(=O)[O-]	ZINC000526061017	390674976	/nfs/dbraw/zinc/67/49/76/390674976.db2.gz	VZXIQUURYIEDQE-JTQLQIEISA-N	-1	0	275.330	0.016	20	30		CCEDRM
C=C[C@H](O)C(=O)N(C)Cc1nc(=O)c2sccc2[n-]1	ZINC000646615677	390700415	/nfs/dbraw/zinc/70/04/15/390700415.db2.gz	BDKPBUHSJIUXHQ-QMMMGPOBSA-N	-1	0	279.321	0.902	20	30		CCEDRM
CC1(C)CCC[C@H](n2c(=O)[n-]cc(C#N)c2=O)C1=O	ZINC000578069770	390862474	/nfs/dbraw/zinc/86/24/74/390862474.db2.gz	WKOQIZFRFRTFMP-VIFPVBQESA-N	-1	0	261.281	0.729	20	30		CCEDRM
CC(C)CC(=O)N1CC(n2cc(C#N)c(=O)[n-]c2=O)C1	ZINC000530268070	390875934	/nfs/dbraw/zinc/87/59/34/390875934.db2.gz	RMTJMXBWGUGWOI-UHFFFAOYSA-N	-1	0	276.296	0.250	20	30		CCEDRM
C=CC[C@H](CC)NC(=O)C(=O)N[C@@H]1CC[C@H](C(=O)[O-])C1	ZINC000647583922	390843786	/nfs/dbraw/zinc/84/37/86/390843786.db2.gz	LNQSJOXYFPWSAQ-GARJFASQSA-N	-1	0	282.340	0.827	20	30		CCEDRM
C=C(CC)CNC(=O)C(=O)NCC1(C(=O)[O-])CCOCC1	ZINC000647589125	390844293	/nfs/dbraw/zinc/84/42/93/390844293.db2.gz	YHCCOFVICJENED-UHFFFAOYSA-N	-1	0	298.339	0.066	20	30		CCEDRM
COc1ccc(=NC(=O)NC(C)(C)c2nc(C)no2)[n-]n1	ZINC000329147182	533250850	/nfs/dbraw/zinc/25/08/50/533250850.db2.gz	XPRKTXBXGVGFTA-UHFFFAOYSA-N	-1	0	292.299	0.860	20	30		CCEDRM
C[C@H](CN(C)S(=O)(=O)c1cncc(C#N)c1)C(=O)[O-]	ZINC000261667631	131161027	/nfs/dbraw/zinc/16/10/27/131161027.db2.gz	ZTQNHNMOAFLDEK-MRVPVSSYSA-N	-1	0	283.309	0.294	20	30		CCEDRM
N#Cc1cncc(S(=O)(=O)N2CCCC[C@H]2C(=O)[O-])c1	ZINC000261850691	131173467	/nfs/dbraw/zinc/17/34/67/131173467.db2.gz	WREFQTPJGWOSOQ-NSHDSACASA-N	-1	0	295.320	0.581	20	30		CCEDRM
N#Cc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)[O-])C2)o1	ZINC000262241546	131204924	/nfs/dbraw/zinc/20/49/24/131204924.db2.gz	AHXWEWFQYXLYSK-MRVPVSSYSA-N	-1	0	284.293	0.637	20	30		CCEDRM
C#Cc1cccc(NC(=O)CNC(=O)[C@H]2C[C@H]2C(=O)[O-])c1	ZINC000262651173	131247142	/nfs/dbraw/zinc/24/71/42/131247142.db2.gz	RXBYGZLCJCMGMS-NWDGAFQWSA-N	-1	0	286.287	0.443	20	30		CCEDRM
Cc1cc(C#N)ccc1C(=O)NC1(c2nnn[n-]2)CC1	ZINC000357071574	144056100	/nfs/dbraw/zinc/05/61/00/144056100.db2.gz	KWGOCYNODVYEQG-UHFFFAOYSA-N	-1	0	268.280	0.799	20	30		CCEDRM
COCCn1cc(C(=O)N=c2[nH][n-]c(C)c2C#N)c(C)n1	ZINC000357160467	144066075	/nfs/dbraw/zinc/06/60/75/144066075.db2.gz	UPPLXEUUZJSCBZ-UHFFFAOYSA-N	-1	0	288.311	0.415	20	30		CCEDRM
CCc1cc(C(=O)N=c2[nH][n-]c(C)c2C#N)cc(=O)[nH]1	ZINC000357161048	144066196	/nfs/dbraw/zinc/06/61/96/144066196.db2.gz	WBDHWPCHRCYQRO-UHFFFAOYSA-N	-1	0	271.280	0.927	20	30		CCEDRM
Cc1[n-][nH]c(=NC(=O)c2cccc([N+](=O)[O-])c2N)c1C#N	ZINC000357255994	144075087	/nfs/dbraw/zinc/07/50/87/144075087.db2.gz	JXQHKLJIXNQCBU-UHFFFAOYSA-N	-1	0	286.251	0.754	20	30		CCEDRM
COc1cc(C#N)ccc1S(=O)(=O)NC[C@H](C)C(=O)[O-]	ZINC000548193706	286015558	/nfs/dbraw/zinc/01/55/58/286015558.db2.gz	NPOOZIPZYRAUMP-QMMMGPOBSA-N	-1	0	298.320	0.566	20	30		CCEDRM
C=CCC1(NC(=O)[C@@H]2CC[C@H](C(=O)[O-])O2)CCOCC1	ZINC000659188225	413334406	/nfs/dbraw/zinc/33/44/06/413334406.db2.gz	CEWPZBRPTKLIDT-WDEREUQCSA-N	-1	0	283.324	0.860	20	30		CCEDRM
N#CCN(CC#N)S(=O)(=O)c1cc(C(=O)[O-])cs1	ZINC000020550409	171246968	/nfs/dbraw/zinc/24/69/68/171246968.db2.gz	RJROLRQQILYPJP-UHFFFAOYSA-N	-1	0	285.306	0.484	20	30		CCEDRM
CC[C@@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)[O-]	ZINC000035085807	171973338	/nfs/dbraw/zinc/97/33/38/171973338.db2.gz	BPFOGOAGVOXTDN-SNVBAGLBSA-N	-1	0	268.294	0.700	20	30		CCEDRM
C=CCCNC(=O)C(=O)NCCCCCC(=O)[O-]	ZINC000659655508	413757065	/nfs/dbraw/zinc/75/70/65/413757065.db2.gz	KFYNYIQLAZJSIV-UHFFFAOYSA-N	-1	0	256.302	0.440	20	30		CCEDRM
C=CC[C@@H]1CCCN(C(=O)C(=O)NC[C@H](C)C(=O)[O-])C1	ZINC000659661973	413760825	/nfs/dbraw/zinc/76/08/25/413760825.db2.gz	NSFNFIZEFHPGPU-WDEREUQCSA-N	-1	0	282.340	0.638	20	30		CCEDRM
C#CCNS(=O)(=O)Cc1cccc(C(=O)[O-])c1	ZINC000037465993	173226249	/nfs/dbraw/zinc/22/62/49/173226249.db2.gz	DQPNSWRUNBKBLD-UHFFFAOYSA-N	-1	0	253.279	0.437	20	30		CCEDRM
C=CCn1cc(C(=O)N(CC)[C@@H](C)C(=O)[O-])nn1	ZINC000663123617	414995140	/nfs/dbraw/zinc/99/51/40/414995140.db2.gz	DPOKJMJMWGSLRR-QMMMGPOBSA-N	-1	0	252.274	0.399	20	30		CCEDRM
C=C(C)CS(=O)(=O)N1CC2(CCOCC2)[C@H]1C(=O)[O-]	ZINC000663286634	415038719	/nfs/dbraw/zinc/03/87/19/415038719.db2.gz	DDIOGTSKZPZJFH-SNVBAGLBSA-N	-1	0	289.353	0.458	20	30		CCEDRM
C=C(CC)CNC(=O)C(=O)NC[C@H](C(=O)[O-])C1CCC1	ZINC000663627608	415099304	/nfs/dbraw/zinc/09/93/04/415099304.db2.gz	JGWPIVZMFDVZJG-NSHDSACASA-N	-1	0	282.340	0.686	20	30		CCEDRM
N#CCN(CC#N)C(=O)c1cc([O-])cc([N+](=O)[O-])c1	ZINC000356003524	228082605	/nfs/dbraw/zinc/08/26/05/228082605.db2.gz	QPYXXGBWMQHTGS-UHFFFAOYSA-N	-1	0	260.209	0.790	20	30		CCEDRM
C=CC[C@H](NS(=O)(=O)c1c[nH]c2ncccc12)C(=O)[O-]	ZINC000159616783	544694751	/nfs/dbraw/zinc/69/47/51/544694751.db2.gz	PTGRAVGSHOISSY-VIFPVBQESA-N	-1	0	295.320	0.871	20	30		CCEDRM
N#CCN1CCN(C(=O)c2ccc([N+](=O)[O-])cc2[O-])CC1	ZINC000186848049	260014962	/nfs/dbraw/zinc/01/49/62/260014962.db2.gz	VDRCBHZNZUMMQA-UHFFFAOYSA-N	-1	0	290.279	0.582	20	30		CCEDRM
C=C(C)[C@@H](CC(=O)N1CCO[C@@H](c2nnn[n-]2)C1)OCC	ZINC000363443600	260260250	/nfs/dbraw/zinc/26/02/50/260260250.db2.gz	XDJJDPSJJLQZJG-GHMZBOCLSA-N	-1	0	295.343	0.471	20	30		CCEDRM
C#CCN(CC)C(=O)C(=O)N=c1nc(C(C)(C)C)[n-]s1	ZINC000490671699	261181052	/nfs/dbraw/zinc/18/10/52/261181052.db2.gz	UIFUFLIYJJUGEA-UHFFFAOYSA-N	-1	0	294.380	0.678	20	30		CCEDRM
COCCN(CC#N)Cc1c([O-])nnn1-c1ccccc1	ZINC000412992511	262750792	/nfs/dbraw/zinc/75/07/92/262750792.db2.gz	UEIPEANRJACTJG-UHFFFAOYSA-N	-1	0	287.323	0.945	20	30		CCEDRM
CCCc1nc(=NC(=O)NCCC(=O)N(C)C)s[n-]1	ZINC000330488532	263950619	/nfs/dbraw/zinc/95/06/19/263950619.db2.gz	KFVVUDVLJQXRTO-UHFFFAOYSA-N	-1	0	285.373	0.717	20	30		CCEDRM
C[C@H](CO)[C@H](C)NC(=O)c1cccn2c([O-])nnc12	ZINC000330748614	264028904	/nfs/dbraw/zinc/02/89/04/264028904.db2.gz	ALSIMBSGOZXZCQ-SFYZADRCSA-N	-1	0	264.285	0.756	20	30		CCEDRM
CCCc1nc(=NC(=O)NC[C@@]2(O)CCOC2)s[n-]1	ZINC000330813240	264044717	/nfs/dbraw/zinc/04/47/17/264044717.db2.gz	BEHWQXSXIHAXON-NSHDSACASA-N	-1	0	286.357	0.390	20	30		CCEDRM
CN(C)c1nc(C(=O)NC[C@H]2CCCO2)cc(=O)[nH]1	ZINC000330915319	264092621	/nfs/dbraw/zinc/09/26/21/264092621.db2.gz	JWXQERUJPCNFBM-MRVPVSSYSA-N	-1	0	266.301	0.732	20	30		CCEDRM
C=C[C@](C)(O)CC(=O)N1CCC[C@@H](c2n[n-]c(=O)o2)C1	ZINC000331244851	264178756	/nfs/dbraw/zinc/17/87/56/264178756.db2.gz	QXJRRVSONMLFRS-RNCFNFMXSA-N	-1	0	281.312	0.808	20	30		CCEDRM
C#CC[C@@H](NS(=O)(=O)c1c(C)noc1C)C(=O)[O-]	ZINC000161263954	264279638	/nfs/dbraw/zinc/27/96/38/264279638.db2.gz	MMDDVYXCLOADBB-MRVPVSSYSA-N	-1	0	272.282	0.046	20	30		CCEDRM
C=CCNS(=O)(=O)c1cc(C(=O)OC)c(C)o1	ZINC000080251355	264392042	/nfs/dbraw/zinc/39/20/42/264392042.db2.gz	DVQHGCQRYFSHNN-UHFFFAOYSA-N	-1	0	259.283	0.839	20	30		CCEDRM
C=C[C@@](C)(O)CC(=O)N=c1nc([C@H](C)OC)[n-]s1	ZINC000356277785	266086129	/nfs/dbraw/zinc/08/61/29/266086129.db2.gz	HTWAFDQXTXPISA-WRWORJQWSA-N	-1	0	271.342	0.933	20	30		CCEDRM
C=C[C@H](CO)NC(=O)c1ccc(-c2nc(=O)o[n-]2)cc1	ZINC000356833583	266183589	/nfs/dbraw/zinc/18/35/89/266183589.db2.gz	KMVNFYXLIBYEIF-SNVBAGLBSA-N	-1	0	275.264	0.307	20	30		CCEDRM
C=CCN=c1[n-]nc(S(=O)(=O)C[C@H]2CCCO2)s1	ZINC000358708908	266488244	/nfs/dbraw/zinc/48/82/44/266488244.db2.gz	ZAUGWPRTFIGALJ-MRVPVSSYSA-N	-1	0	289.382	0.511	20	30		CCEDRM
Cc1n[n-]c(=NC(=O)N2CCN(C3CC3)[C@H](C#N)C2)s1	ZINC000369231981	267227795	/nfs/dbraw/zinc/22/77/95/267227795.db2.gz	NTXUAQAGKINHNH-SNVBAGLBSA-N	-1	0	292.368	0.473	20	30		CCEDRM
C[C@@H]1COCC[C@@H]1C(=O)Nc1nc(C#N)c(C#N)[n-]1	ZINC000444722885	277940058	/nfs/dbraw/zinc/94/00/58/277940058.db2.gz	SZJNGQBISDZHKV-SFYZADRCSA-N	-1	0	259.269	0.764	20	30		CCEDRM
C=CCS(=O)(=O)[N-]C(=O)c1ccc(C(N)=O)s1	ZINC000772720278	581886188	/nfs/dbraw/zinc/88/61/88/581886188.db2.gz	GGZHCBBJYJRLBQ-UHFFFAOYSA-N	-1	0	274.323	0.093	20	30		CCEDRM
N#Cc1c[n-]c(=O)n(C[C@@H]2CCCC2(F)F)c1=O	ZINC000335475815	294868410	/nfs/dbraw/zinc/86/84/10/294868410.db2.gz	AWQPQRCSFSZRLW-QMMMGPOBSA-N	-1	0	255.224	0.844	20	30		CCEDRM
COc1ccc(=NC(=O)N[C@@H]2CCCn3ncnc32)[n-]n1	ZINC000330250302	295063878	/nfs/dbraw/zinc/06/38/78/295063878.db2.gz	MYFLDCPMCOXOSG-MRVPVSSYSA-N	-1	0	289.299	0.360	20	30		CCEDRM
C=CCOCCNC(=O)N[C@H](CC(F)F)C(=O)[O-]	ZINC000385966408	545085851	/nfs/dbraw/zinc/08/58/51/545085851.db2.gz	PKMSYBLDZJENRF-SSDOTTSWSA-N	-1	0	266.244	0.597	20	30		CCEDRM
C=CCOCCNC(=O)N[C@@H](CC(F)(F)F)C(=O)[O-]	ZINC000388673290	545086511	/nfs/dbraw/zinc/08/65/11/545086511.db2.gz	BXRZGHUYVIKEPY-ZETCQYMHSA-N	-1	0	284.234	0.894	20	30		CCEDRM
C=CCNC(=O)CNC(=O)[C@H](C(=O)[O-])C(C)(C)C	ZINC000393836620	545087760	/nfs/dbraw/zinc/08/77/60/545087760.db2.gz	LFMAVDTZMSSAQT-SECBINFHSA-N	-1	0	256.302	0.152	20	30		CCEDRM
Cc1n[nH]c(C)c1CC(=O)Nc1nc(C#N)c(C#N)[n-]1	ZINC000351246475	302478846	/nfs/dbraw/zinc/47/88/46/302478846.db2.gz	DIYXGODWUSZXKM-UHFFFAOYSA-N	-1	0	269.268	0.674	20	30		CCEDRM
N#Cc1ccccc1S(=O)(=O)N1CCC[C@H]1C(=O)[O-]	ZINC000021499722	303206885	/nfs/dbraw/zinc/20/68/85/303206885.db2.gz	UORHINWOZDMPJN-JTQLQIEISA-N	-1	0	280.305	0.796	20	30		CCEDRM
N#Cc1nc(NC(=O)[C@@H]2C[C@@]23CCOC3)[n-]c1C#N	ZINC000368128952	303216363	/nfs/dbraw/zinc/21/63/63/303216363.db2.gz	LNGPOILKELZPGN-JVXZTZIISA-N	-1	0	257.253	0.518	20	30		CCEDRM
N#Cc1nc(NC(=O)c2ccc3n[nH]nc3c2)[n-]c1C#N	ZINC000026272301	303217082	/nfs/dbraw/zinc/21/70/82/303217082.db2.gz	POLVZRMWQLLGTC-UHFFFAOYSA-N	-1	0	278.235	0.677	20	30		CCEDRM
C=CCCCN(C)C(=O)C(=O)N1CC[C@@H](C)[C@H](C(=O)[O-])C1	ZINC000582063025	327826457	/nfs/dbraw/zinc/82/64/57/327826457.db2.gz	LSNHWCHHBXXURD-VXGBXAGGSA-N	-1	0	296.367	0.980	20	30		CCEDRM
C=C(C)CS(=O)(=O)N1CCC[C@@](COC)(C(=O)[O-])C1	ZINC000567808454	327886384	/nfs/dbraw/zinc/88/63/84/327886384.db2.gz	QTHZBNJSKVNGRR-GFCCVEGCSA-N	-1	0	291.369	0.706	20	30		CCEDRM
C=C(C)[C@@H]1OCC[C@H]1CNC(=O)N[C@@]1(C(=O)[O-])CCOC1	ZINC000571617992	328138284	/nfs/dbraw/zinc/13/82/84/328138284.db2.gz	JBAOHMWBPLXBEO-MJVIPROJSA-N	-1	0	298.339	0.511	20	30		CCEDRM
C=CCOc1ccc(C(=O)NC[C@](C)(O)C(=O)[O-])cc1	ZINC000090276073	327087578	/nfs/dbraw/zinc/08/75/78/327087578.db2.gz	WRPGFLFJYUOORP-AWEZNQCLSA-N	-1	0	279.292	0.817	20	30		CCEDRM
COC(=O)[C@@H](NS(=O)(=O)CCC(C)(C)C#N)C1CC1	ZINC000558426410	327093728	/nfs/dbraw/zinc/09/37/28/327093728.db2.gz	DEKISHPIKXIRAQ-JTQLQIEISA-N	-1	0	288.369	0.797	20	30		CCEDRM
CC(C)(C)OC[C@H](NS(=O)(=O)CCCC#N)C(=O)[O-]	ZINC000560419688	327306788	/nfs/dbraw/zinc/30/67/88/327306788.db2.gz	PQVNYNTXVDIKFR-VIFPVBQESA-N	-1	0	292.357	0.478	20	30		CCEDRM
C=CCC[C@H](NC(=O)NCc1cc[nH]n1)C(=O)[O-]	ZINC000570045732	327565638	/nfs/dbraw/zinc/56/56/38/327565638.db2.gz	LTRXBPISQPTEJI-VIFPVBQESA-N	-1	0	252.274	0.628	20	30		CCEDRM
C=C[C@@H]1OCC[C@H]1CNS(=O)(=O)[N-]CC(F)(F)F	ZINC000425177208	329625455	/nfs/dbraw/zinc/62/54/55/329625455.db2.gz	FDKHYPYWAXRTSJ-YUMQZZPRSA-N	-1	0	288.291	0.564	20	30		CCEDRM
C=CCCn1cc(C(=O)N[C@H]2C[C@@H](C(=O)[O-])C2)nn1	ZINC000425258108	329651660	/nfs/dbraw/zinc/65/16/60/329651660.db2.gz	QSOYGQIWYRTDAK-DTORHVGOSA-N	-1	0	264.285	0.447	20	30		CCEDRM
C=CCCOCCNC(=O)C(=O)N1CCC[C@@H](C(=O)[O-])C1	ZINC000420563213	329774910	/nfs/dbraw/zinc/77/49/10/329774910.db2.gz	OPKLEEJDMXMQGF-LLVKDONJSA-N	-1	0	298.339	0.019	20	30		CCEDRM
C[C@H](CN(C)S(=O)(=O)CC1(C#N)CC1)C(=O)[O-]	ZINC000262494415	330017563	/nfs/dbraw/zinc/01/75/63/330017563.db2.gz	XYGCOMQDDURWBK-MRVPVSSYSA-N	-1	0	260.315	0.272	20	30		CCEDRM
C=CCOCCCC(=O)N[C@H](C(=O)[O-])[C@H]1CCCOC1	ZINC000262724460	330028794	/nfs/dbraw/zinc/02/87/94/330028794.db2.gz	GDHWKTHDLMEZEW-AAEUAGOBSA-N	-1	0	285.340	0.965	20	30		CCEDRM
C=CCCO[C@H](C)C(=O)N1CC[C@@](F)(C(=O)[O-])C1	ZINC000262841394	330035139	/nfs/dbraw/zinc/03/51/39/330035139.db2.gz	UAPZHQQDEURHQK-SKDRFNHKSA-N	-1	0	259.277	0.993	20	30		CCEDRM
C=CCOC[C@@H](NC(=O)c1cccc(C)n1)C(=O)[O-]	ZINC000263031452	330039658	/nfs/dbraw/zinc/03/96/58/330039658.db2.gz	ONXGEVNRCGEFKZ-LLVKDONJSA-N	-1	0	264.281	0.776	20	30		CCEDRM
C=CCOC[C@H](NC(=O)C1(CCOC)CCC1)C(=O)[O-]	ZINC000263080679	330042648	/nfs/dbraw/zinc/04/26/48/330042648.db2.gz	RZHIXZCYEPFGPA-NSHDSACASA-N	-1	0	285.340	0.965	20	30		CCEDRM
C=CCOC[C@@H](NC(=O)[C@]1(C)CCCO1)C(=O)[O-]	ZINC000263113263	330044402	/nfs/dbraw/zinc/04/44/02/330044402.db2.gz	UWNHCEKINBOVKJ-SKDRFNHKSA-N	-1	0	257.286	0.328	20	30		CCEDRM
C=CCOC[C@H](NC(=O)CC[C@H]1CCCO1)C(=O)[O-]	ZINC000263124469	330044757	/nfs/dbraw/zinc/04/47/57/330044757.db2.gz	VPGKDAHYBDERMZ-MNOVXSKESA-N	-1	0	271.313	0.718	20	30		CCEDRM
C[C@@H]1C[C@H](C(=O)[O-])CN(S(=O)(=O)CCC#N)C1	ZINC000263207615	330049277	/nfs/dbraw/zinc/04/92/77/330049277.db2.gz	NCNKZYGFWWMVHC-BDAKNGLRSA-N	-1	0	260.315	0.272	20	30		CCEDRM
C=C[C@@H]1OCCC[C@H]1NC(=O)NCCCC(=O)[O-]	ZINC000263360845	330052822	/nfs/dbraw/zinc/05/28/22/330052822.db2.gz	KHFADJLIJVDTAM-ZJUUUORDSA-N	-1	0	256.302	0.884	20	30		CCEDRM
CCCC[C@@H](NS(=O)(=O)N(C)C[C@@H](C)C#N)C(=O)[O-]	ZINC000263539329	330059140	/nfs/dbraw/zinc/05/91/40/330059140.db2.gz	BOILAXJUKYKDHQ-VHSXEESVSA-N	-1	0	291.373	0.556	20	30		CCEDRM
CC(C)[C@@H](NS(=O)(=O)N(C)[C@H](C)CC#N)C(=O)[O-]	ZINC000263553323	330059321	/nfs/dbraw/zinc/05/93/21/330059321.db2.gz	MLTDRJVDTODAAF-RKDXNWHRSA-N	-1	0	277.346	0.164	20	30		CCEDRM
C=CCN(CC=C)C(=O)C(=O)N1CCC[C@@H](C(=O)[O-])C1	ZINC000422718325	330152125	/nfs/dbraw/zinc/15/21/25/330152125.db2.gz	WYVZWXQEXSONLF-LLVKDONJSA-N	-1	0	280.324	0.510	20	30		CCEDRM
C=C(C)CN(C)C(=O)C(=O)N1C[C@H](C(=O)[O-])C[C@H](C)C1	ZINC000422859658	330157635	/nfs/dbraw/zinc/15/76/35/330157635.db2.gz	KPUBPWJMQYNTBM-WDEREUQCSA-N	-1	0	282.340	0.590	20	30		CCEDRM
C=CCn1cc(CNC(=O)[C@@H]2CC[C@H]2C(=O)[O-])nn1	ZINC000424542401	330372031	/nfs/dbraw/zinc/37/20/31/330372031.db2.gz	WHWHLTONEWPNBE-NXEZZACHSA-N	-1	0	264.285	0.191	20	30		CCEDRM
O=C(Nc1nc(O)c[nH]1)c1ccc(Br)cc1[O-]	ZINC000057326770	330373450	/nfs/dbraw/zinc/37/34/50/330373450.db2.gz	MEEKESJRMKBMDR-UHFFFAOYSA-N	-1	0	298.096	0.945	20	30		CCEDRM
C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)Cc1n[n-]c(=NC)s1	ZINC000437526635	330702286	/nfs/dbraw/zinc/70/22/86/330702286.db2.gz	SABRUCSRMUXDQA-SKDRFNHKSA-N	-1	0	296.396	0.642	20	30		CCEDRM
CC[C@H](CC#N)NC(=O)N=c1nc2n([n-]1)CCCC2	ZINC000456003102	331182245	/nfs/dbraw/zinc/18/22/45/331182245.db2.gz	DLAVCLBNOMMGJZ-SECBINFHSA-N	-1	0	262.317	0.850	20	30		CCEDRM
COCCN(CC#N)C(=O)c1ccc([O-])c([N+](=O)[O-])c1	ZINC000457202469	331215547	/nfs/dbraw/zinc/21/55/47/331215547.db2.gz	JHALDAYOCCSBHT-UHFFFAOYSA-N	-1	0	279.252	0.913	20	30		CCEDRM
C#CCNC(=O)c1cc(=O)n(-c2ccc(C)cc2)[n-]1	ZINC000172762306	332944605	/nfs/dbraw/zinc/94/46/05/332944605.db2.gz	PGRRXDKAXREWKG-UHFFFAOYSA-N	-1	0	255.277	0.837	20	30		CCEDRM
C#C[C@H](C)N(C)C(=O)N=c1ccc(-c2ccnn2C)n[n-]1	ZINC000491340273	332193603	/nfs/dbraw/zinc/19/36/03/332193603.db2.gz	WPLYMFSBOUNWPT-JTQLQIEISA-N	-1	0	284.323	0.784	20	30		CCEDRM
C#C[C@@H]1COCCN1C(=O)c1ccc([N+](=O)[O-])cc1[O-]	ZINC000491653387	332266076	/nfs/dbraw/zinc/26/60/76/332266076.db2.gz	NTUYVIAWRUSCGZ-SECBINFHSA-N	-1	0	276.248	0.775	20	30		CCEDRM
N#CCCCS(=O)(=O)[N-]C(=O)/C=C/C1CCOCC1	ZINC000492347087	332393614	/nfs/dbraw/zinc/39/36/14/332393614.db2.gz	WSTHQSCBLOHKOK-ONEGZZNKSA-N	-1	0	286.353	0.719	20	30		CCEDRM
C=CCCCS(=O)(=O)N1CCC[C@@H]([C@@H](O)C(=O)[O-])C1	ZINC000566807225	334665198	/nfs/dbraw/zinc/66/51/98/334665198.db2.gz	IHQMVJBEVCPNAB-GHMZBOCLSA-N	-1	0	291.369	0.440	20	30		CCEDRM
C=CCOCC(=O)N=c1cc(C(=O)OCC)[n-][nH]1	ZINC000543760966	333896834	/nfs/dbraw/zinc/89/68/34/333896834.db2.gz	SSXMIBKOIMQHRK-UHFFFAOYSA-N	-1	0	253.258	0.149	20	30		CCEDRM
CC(C)N([C@@H](C)C(=O)[O-])S(=O)(=O)CCCC#N	ZINC000547895231	334128981	/nfs/dbraw/zinc/12/89/81/334128981.db2.gz	GPPWHSXJEJRRDE-VIFPVBQESA-N	-1	0	262.331	0.803	20	30		CCEDRM
CN(CCC#N)S(=O)(=O)N1CCC[C@](C)(C(=O)[O-])C1	ZINC000547917958	334129274	/nfs/dbraw/zinc/12/92/74/334129274.db2.gz	CLCFJQABPXKSRI-NSHDSACASA-N	-1	0	289.357	0.263	20	30		CCEDRM
C[C@H]1SC[C@@H](C(=O)[O-])N1S(=O)(=O)CCCCC#N	ZINC000548556261	334162459	/nfs/dbraw/zinc/16/24/59/334162459.db2.gz	UXWZLMXDVOKVFC-BDAKNGLRSA-N	-1	0	292.382	0.858	20	30		CCEDRM
C=CCCS(=O)(=O)N[C@@H](COCC=C)C(=O)[O-]	ZINC000564927494	334528777	/nfs/dbraw/zinc/52/87/77/334528777.db2.gz	XQAFNPUWIQITQZ-VIFPVBQESA-N	-1	0	263.315	0.138	20	30		CCEDRM
C=CCCCNC(=O)C(=O)N1CC[C@@H](C)[C@H](C(=O)[O-])C1	ZINC000564987609	334532302	/nfs/dbraw/zinc/53/23/02/334532302.db2.gz	ZOGGJELFRUFZEQ-GHMZBOCLSA-N	-1	0	282.340	0.638	20	30		CCEDRM
C=C[C@](C)(O)CC(=O)N1CCC[C@H](c2n[nH]c(=O)[n-]2)C1	ZINC000565308109	334551306	/nfs/dbraw/zinc/55/13/06/334551306.db2.gz	TWHUFABHZQBTKM-ZANVPECISA-N	-1	0	280.328	0.543	20	30		CCEDRM
N#CC1(C(=O)NC[C@H](CC2CC2)C(=O)[O-])CCOCC1	ZINC000566073931	334620405	/nfs/dbraw/zinc/62/04/05/334620405.db2.gz	OURKMCCVIGGOIX-NSHDSACASA-N	-1	0	280.324	0.924	20	30		CCEDRM
C=C[C@@H]1OCC[C@H]1CNC(=O)[C@@H]1CC[C@@H](C(=O)[O-])O1	ZINC000572713842	334873645	/nfs/dbraw/zinc/87/36/45/334873645.db2.gz	IEBUHEGMVZOTBO-NAKRPEOUSA-N	-1	0	269.297	0.326	20	30		CCEDRM
C=CCOC[C@@H](NC(=O)[C@@H](C)OCC(C)C)C(=O)[O-]	ZINC000573203983	334917007	/nfs/dbraw/zinc/91/70/07/334917007.db2.gz	ZTTUZWAOPGHVGL-GHMZBOCLSA-N	-1	0	273.329	0.820	20	30		CCEDRM
Cc1c(C#N)cccc1C(=O)NCc1n[n-]c(=N)o1	ZINC000354836784	525541479	/nfs/dbraw/zinc/54/14/79/525541479.db2.gz	IOUGTUYOMRIWCI-UHFFFAOYSA-N	-1	0	257.253	0.592	20	30		CCEDRM
C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)N1CCO[C@@H](C(=O)[O-])C1	ZINC000666544994	545125302	/nfs/dbraw/zinc/12/53/02/545125302.db2.gz	FZAGPZIRUSAOGW-UTUOFQBUSA-N	-1	0	298.339	0.463	20	30		CCEDRM
Cc1onc(CC(=O)[N-]OC[C@H]2CCOC2)c1C#N	ZINC000788568949	581116594	/nfs/dbraw/zinc/11/65/94/581116594.db2.gz	GBCVBZDNYSMALF-VIFPVBQESA-N	-1	0	265.269	0.482	20	30		CCEDRM
CCN(CCCNC(=O)N1CCO[C@H](C#N)C1)C(=O)[O-]	ZINC000739417924	581133440	/nfs/dbraw/zinc/13/34/40/581133440.db2.gz	VURXDTSCLJNZIV-SNVBAGLBSA-N	-1	0	284.316	0.310	20	30		CCEDRM
CNC(=O)C(C#N)=C([O-])c1ccc(O[C@@H]2CCOC2)cc1	ZINC000789406830	581147646	/nfs/dbraw/zinc/14/76/46/581147646.db2.gz	ZREMQEJUVDCUSV-OLZOCXBDSA-N	-1	0	288.303	0.923	20	30		CCEDRM
COCCO[N-]C(=O)C(=O)Nc1ccc(F)cc1C#N	ZINC000789826626	581158448	/nfs/dbraw/zinc/15/84/48/581158448.db2.gz	YKQRGSCAKZXUNF-UHFFFAOYSA-N	-1	0	281.243	0.330	20	30		CCEDRM
C=CCS(=O)(=O)[N-]C(=O)[C@H](C)NC(=O)CC(C)(C)C	ZINC000778691417	581163112	/nfs/dbraw/zinc/16/31/12/581163112.db2.gz	CSICCIINRFUXIB-VIFPVBQESA-N	-1	0	290.385	0.559	20	30		CCEDRM
N#C[C@H]1CN(CC(=O)Nc2ccsc2C(=O)[O-])CCO1	ZINC000739069875	581166269	/nfs/dbraw/zinc/16/62/69/581166269.db2.gz	URYCAIPTLRMNRD-QMMMGPOBSA-N	-1	0	295.320	0.609	20	30		CCEDRM
N#CCN(CC(=O)[O-])C(=O)c1cc2c([nH]c1=O)CCC2	ZINC000739078796	581172574	/nfs/dbraw/zinc/17/25/74/581172574.db2.gz	MZMRFJNHDMKMEM-UHFFFAOYSA-N	-1	0	275.264	0.326	20	30		CCEDRM
Cc1onc(CC(=O)[N-]O[C@H]2CCCCO2)c1C#N	ZINC000779381868	581183473	/nfs/dbraw/zinc/18/34/73/581183473.db2.gz	RHBGRRBPZKVSQJ-LBPRGKRZSA-N	-1	0	265.269	0.972	20	30		CCEDRM
COCCO[N-]C(=O)CNc1ccc(C#N)cn1	ZINC000790447524	581187378	/nfs/dbraw/zinc/18/73/78/581187378.db2.gz	NDGNVBZSZDQBSS-UHFFFAOYSA-N	-1	0	250.258	0.059	20	30		CCEDRM
C[C@](CNC(=O)[O-])(NS(=O)(=O)CCCC#N)C1CC1	ZINC000738924066	581192515	/nfs/dbraw/zinc/19/25/15/581192515.db2.gz	HRTCPZBWTGDNCU-LLVKDONJSA-N	-1	0	289.357	0.646	20	30		CCEDRM
C[C@H](CNC(=O)[O-])N(C)C(=O)NCCCCC#N	ZINC000738927274	581199053	/nfs/dbraw/zinc/19/90/53/581199053.db2.gz	MDGHYUFCHYEWDZ-SECBINFHSA-N	-1	0	256.306	0.978	20	30		CCEDRM
N#CCCN(Cc1ccccn1)C(=O)c1cc(=O)[nH][n-]1	ZINC000791351049	581216386	/nfs/dbraw/zinc/21/63/86/581216386.db2.gz	NASJJCKVDYBRHW-UHFFFAOYSA-N	-1	0	271.280	0.200	20	30		CCEDRM
COCCNC(=O)C(C#N)=C([O-])c1cn(C(C)(C)C)nn1	ZINC000791771449	581233419	/nfs/dbraw/zinc/23/34/19/581233419.db2.gz	NAOAURUCXISRJW-SECBINFHSA-N	-1	0	293.327	0.118	20	30		CCEDRM
CC#CCS(=O)(=O)[N-]C(=O)c1cccc(NC(N)=O)c1	ZINC000791110946	581259600	/nfs/dbraw/zinc/25/96/00/581259600.db2.gz	HSJOUZLNBXPYIE-UHFFFAOYSA-N	-1	0	295.320	0.260	20	30		CCEDRM
CCCn1cc(C([O-])=C(C#N)C(=O)NC2CC2)cn1	ZINC000781762949	581276873	/nfs/dbraw/zinc/27/68/73/581276873.db2.gz	GJLMUEOCLPEBAR-LLVKDONJSA-N	-1	0	260.297	0.894	20	30		CCEDRM
N#CC1(CS(=O)(=O)[N-]C(=O)[C@@H]2CC23CCC3)CC1	ZINC000793195823	581287763	/nfs/dbraw/zinc/28/77/63/581287763.db2.gz	BVYBHOCWDDNTRZ-VIFPVBQESA-N	-1	0	268.338	0.926	20	30		CCEDRM
N#CCc1ccc(NC(=O)[C@@H]2C[C@H](O)CN2C(=O)[O-])cc1	ZINC000740309801	581323555	/nfs/dbraw/zinc/32/35/55/581323555.db2.gz	BQQWWWPQAKPNBU-RYUDHWBXSA-N	-1	0	289.291	0.804	20	30		CCEDRM
N#Cc1cccc(NC(=O)[C@H]2C[C@H](O)CN2C(=O)[O-])c1	ZINC000740320122	581326028	/nfs/dbraw/zinc/32/60/28/581326028.db2.gz	HNJIQCZEUMPEJH-WDEREUQCSA-N	-1	0	275.264	0.610	20	30		CCEDRM
C#CCNC(=O)c1ccc(NCC[C@@H](C)NC(=O)[O-])nc1	ZINC000738463155	581335197	/nfs/dbraw/zinc/33/51/97/581335197.db2.gz	NXELQLWXPFWKRV-SNVBAGLBSA-N	-1	0	290.323	0.903	20	30		CCEDRM
COc1cccc([C@H](C#N)NC(=O)CNC(=O)[O-])c1OC	ZINC000738090289	581342298	/nfs/dbraw/zinc/34/22/98/581342298.db2.gz	RSXXOOVJWJTEGD-VIFPVBQESA-N	-1	0	293.279	0.652	20	30		CCEDRM
C#CCSCCNC(=O)N[C@H](CNC(=O)[O-])C1CC1	ZINC000738469860	581343122	/nfs/dbraw/zinc/34/31/22/581343122.db2.gz	INPDTTDYKYEJJI-SNVBAGLBSA-N	-1	0	285.369	0.698	20	30		CCEDRM
C#CCSCCNC(=O)N1CCC(NC(=O)[O-])CC1	ZINC000738469966	581343383	/nfs/dbraw/zinc/34/33/83/581343383.db2.gz	KKHZVWYSVIISAJ-UHFFFAOYSA-N	-1	0	285.369	0.794	20	30		CCEDRM
C=C(Br)COC(=O)[C@@H]1C[C@@H](O)CN1C(=O)[O-]	ZINC000738470530	581343696	/nfs/dbraw/zinc/34/36/96/581343696.db2.gz	JFTFDVUPLXWMAY-RQJHMYQMSA-N	-1	0	294.101	0.551	20	30		CCEDRM
C#CCSCCNC(=O)N(C)[C@@H](C)CNC(=O)[O-]	ZINC000738471068	581344246	/nfs/dbraw/zinc/34/42/46/581344246.db2.gz	VWQJAVFSOAQVIL-VIFPVBQESA-N	-1	0	273.358	0.650	20	30		CCEDRM
C=C(C)CN(CC)C(=O)CN1CCN(C(=O)[O-])CC1=O	ZINC000738471750	581344593	/nfs/dbraw/zinc/34/45/93/581344593.db2.gz	ZGFRJHWHXQILPY-UHFFFAOYSA-N	-1	0	283.328	0.233	20	30		CCEDRM
CO[C@@H](C)CC(=O)OCc1cc(=O)n2[n-]cc(C#N)c2n1	ZINC000783337116	581345254	/nfs/dbraw/zinc/34/52/54/581345254.db2.gz	JLLMIWVFJAGUGH-QMMMGPOBSA-N	-1	0	290.279	0.775	20	30		CCEDRM
C=CCNC(=O)NC(=O)CN1CCC[C@H](N(C)C(=O)[O-])C1	ZINC000738494304	581361449	/nfs/dbraw/zinc/36/14/49/581361449.db2.gz	ACYJWKHTXCVAPO-JTQLQIEISA-N	-1	0	298.343	0.072	20	30		CCEDRM
Cc1ccc(O)c(C=Nn2c(=O)c(C)n[n-]c2=S)n1	ZINC000728778900	581370505	/nfs/dbraw/zinc/37/05/05/581370505.db2.gz	VYRFZRRNZGDLBH-UHFFFAOYSA-N	-1	0	277.309	0.527	20	30		CCEDRM
C[C@H]1C[C@@H](C(=O)[N-]S(=O)(=O)CC(C)(C)C#N)CO1	ZINC000784542715	581387853	/nfs/dbraw/zinc/38/78/53/581387853.db2.gz	ZXJAPBAKAHOGPG-DTWKUNHWSA-N	-1	0	274.342	0.407	20	30		CCEDRM
C=C[C@](C)(CC)C(=O)N1CCO[C@H](c2nnn[n-]2)C1	ZINC000785411116	581408277	/nfs/dbraw/zinc/40/82/77/581408277.db2.gz	IIGFATOLBUMORP-JOYOIKCWSA-N	-1	0	265.317	0.702	20	30		CCEDRM
Cc1nn(C)c(C)c1S(=O)(=O)[N-]C(=O)CC(C)(C)C#N	ZINC000786271521	581435664	/nfs/dbraw/zinc/43/56/64/581435664.db2.gz	HQDCVYCQIIWLSK-UHFFFAOYSA-N	-1	0	298.368	0.782	20	30		CCEDRM
C=C(C)[C@@H](CC(=O)[N-]S(=O)(=O)c1cc[nH]n1)OCC	ZINC000796876881	581453278	/nfs/dbraw/zinc/45/32/78/581453278.db2.gz	RFIMIYZIOFWWAH-SECBINFHSA-N	-1	0	287.341	0.586	20	30		CCEDRM
O=C([O-])Cn1cc(/C=C/C(=O)c2cncs2)nn1	ZINC000787171954	581458684	/nfs/dbraw/zinc/45/86/84/581458684.db2.gz	RGLLDDRKOIUHHK-OWOJBTEDSA-N	-1	0	264.266	0.715	20	30		CCEDRM
N#Cc1ccc(NC(=O)COC(=O)[C@H]2C[C@H]2C(=O)[O-])cc1	ZINC000739123059	581508074	/nfs/dbraw/zinc/50/80/74/581508074.db2.gz	MNWSAGZSIXHGHV-MNOVXSKESA-N	-1	0	288.259	0.761	20	30		CCEDRM
N#Cc1cnc(N2CCN(CC(=O)[O-])CC2)c(Cl)c1	ZINC000739142038	581510898	/nfs/dbraw/zinc/51/08/98/581510898.db2.gz	HPBNRBIHOUEDMK-UHFFFAOYSA-N	-1	0	280.715	0.813	20	30		CCEDRM
CC(C)[C@](C)(C#N)NC(=O)CN1CCN(C(=O)[O-])[C@@H](C)C1	ZINC000739177957	581517554	/nfs/dbraw/zinc/51/75/54/581517554.db2.gz	YEGXNMHSDLXOBL-FZMZJTMJSA-N	-1	0	296.371	0.725	20	30		CCEDRM
CC[C@@](C)(C#N)NC(=O)CN(C[C@H]1CCCO1)C(=O)[O-]	ZINC000739212852	581524267	/nfs/dbraw/zinc/52/42/67/581524267.db2.gz	GIHZFWZVTRGCCD-MFKMUULPSA-N	-1	0	283.328	0.954	20	30		CCEDRM
CCC[C@@](C)(NC(=O)[O-])C(=O)N1CCO[C@H](C#N)C1	ZINC000739282841	581531112	/nfs/dbraw/zinc/53/11/12/581531112.db2.gz	DYJGBSUYWSWVRP-BXKDBHETSA-N	-1	0	269.301	0.564	20	30		CCEDRM
CCC[C@H](C#N)NC(=O)CN(CCOC)C(=O)[O-]	ZINC000739285830	581531559	/nfs/dbraw/zinc/53/15/59/581531559.db2.gz	VZOGSNQGEIBHDP-SECBINFHSA-N	-1	0	257.290	0.421	20	30		CCEDRM
C#CCOCCNC(=O)c1ccc([N+](=O)[O-])c([O-])c1	ZINC000753230962	581532767	/nfs/dbraw/zinc/53/27/67/581532767.db2.gz	LMTRGVPJZAMMLN-UHFFFAOYSA-N	-1	0	264.237	0.680	20	30		CCEDRM
Cc1cc(C(=O)[N-]S(=O)(=O)CC2(C#N)CC2)nn1C	ZINC000753945138	581566164	/nfs/dbraw/zinc/56/61/64/581566164.db2.gz	KLJJRMZVCULQAU-UHFFFAOYSA-N	-1	0	282.325	0.092	20	30		CCEDRM
COCCCC(=O)[N-]S(=O)(=O)CC1(C#N)CC1	ZINC000753944783	581566248	/nfs/dbraw/zinc/56/62/48/581566248.db2.gz	DSIWIMLCDCXYMA-UHFFFAOYSA-N	-1	0	260.315	0.163	20	30		CCEDRM
CN(CC(=O)[C@@H](C#N)c1nnc2n1CCCCC2)C(=O)[O-]	ZINC000739617936	581582115	/nfs/dbraw/zinc/58/21/15/581582115.db2.gz	SRFVVISTUZWMCP-SECBINFHSA-N	-1	0	291.311	0.791	20	30		CCEDRM
COCCNC(=O)C(C#N)=C([O-])c1ccc(C#N)nc1	ZINC000734705972	581582517	/nfs/dbraw/zinc/58/25/17/581582517.db2.gz	YSQFGXUEPYSBIC-LLVKDONJSA-N	-1	0	272.264	0.038	20	30		CCEDRM
C=CCOc1cc(OC)ccc1C(=O)[N-]S(C)(=O)=O	ZINC000766838677	581583167	/nfs/dbraw/zinc/58/31/67/581583167.db2.gz	QFWPOYFELUERFH-UHFFFAOYSA-N	-1	0	285.321	0.949	20	30		CCEDRM
CCOCC(=O)[N-]S(=O)(=O)c1ccc(C#N)cc1OC	ZINC000766987754	581591402	/nfs/dbraw/zinc/59/14/02/581591402.db2.gz	DPWNZUBCTXCCPF-UHFFFAOYSA-N	-1	0	298.320	0.408	20	30		CCEDRM
CC#CCS(=O)(=O)[N-]C(=O)COC1CCCCC1	ZINC000788067131	581610016	/nfs/dbraw/zinc/61/00/16/581610016.db2.gz	BWFQNOKAEOOLIK-UHFFFAOYSA-N	-1	0	273.354	0.805	20	30		CCEDRM
Cc1nnc(NN=Cc2cccc(C(N)=O)c2)[n-]c1=O	ZINC000755525626	581643910	/nfs/dbraw/zinc/64/39/10/581643910.db2.gz	WFIWFMMMXRYILQ-UHFFFAOYSA-N	-1	0	272.268	0.431	20	30		CCEDRM
Cn1nnc2ccc(C([O-])=C(C#N)C(=O)NC3CC3)cc21	ZINC000755605328	581648442	/nfs/dbraw/zinc/64/84/42/581648442.db2.gz	ZCZMJNIVNQYXAH-JTQLQIEISA-N	-1	0	283.291	0.569	20	30		CCEDRM
CC#CCS(=O)(=O)[N-]C(=O)c1ccncc1CC	ZINC000788072023	581649926	/nfs/dbraw/zinc/64/99/26/581649926.db2.gz	UAMBSXRIAYXGJI-UHFFFAOYSA-N	-1	0	266.322	0.727	20	30		CCEDRM
N#CCN(CC#N)C(=O)c1csc(CNC(=O)[O-])n1	ZINC000740304815	581662593	/nfs/dbraw/zinc/66/25/93/581662593.db2.gz	BEOPPHSRJVCLRI-UHFFFAOYSA-N	-1	0	279.281	0.400	20	30		CCEDRM
N#CCSCC(=O)NC1CCC(NC(=O)[O-])CC1	ZINC000740309772	581663811	/nfs/dbraw/zinc/66/38/11/581663811.db2.gz	AWEIKHHEZZQINK-UHFFFAOYSA-N	-1	0	271.342	0.938	20	30		CCEDRM
N#Cc1ccc(C(=O)N2CC[C@@H](CNC(=O)[O-])C2)cn1	ZINC000740313499	581664357	/nfs/dbraw/zinc/66/43/57/581664357.db2.gz	NFUXPVUAUIHXFG-VIFPVBQESA-N	-1	0	274.280	0.683	20	30		CCEDRM
N#Cc1ccc([C@@H](C(N)=O)N2CC[C@H](NC(=O)[O-])C2)cc1	ZINC000740313581	581664402	/nfs/dbraw/zinc/66/44/02/581664402.db2.gz	USYIQZLUSBLVNY-RYUDHWBXSA-N	-1	0	288.307	0.427	20	30		CCEDRM
N#Cc1ccccc1COC(=O)[C@@H]1C[C@H](O)CN1C(=O)[O-]	ZINC000740323080	581665768	/nfs/dbraw/zinc/66/57/68/581665768.db2.gz	HPXBNIISCMPETJ-RYUDHWBXSA-N	-1	0	290.275	0.715	20	30		CCEDRM
C=C(C)[C@@H](CC(=O)[N-]S(=O)(=O)c1cnccn1)OCC	ZINC000756573304	581672422	/nfs/dbraw/zinc/67/24/22/581672422.db2.gz	OWOUPGSJGQEKBS-SNVBAGLBSA-N	-1	0	299.352	0.653	20	30		CCEDRM
O=C([O-])N1CC(=NNS(=O)(=O)Cc2ccccc2)C1	ZINC000740488132	581686553	/nfs/dbraw/zinc/68/65/53/581686553.db2.gz	DBZBLCNJWNOKKK-UHFFFAOYSA-N	-1	0	283.309	0.456	20	30		CCEDRM
C=C(C)CNC(=S)Nc1ccn(CC(=O)[O-])n1	ZINC000736094738	581702131	/nfs/dbraw/zinc/70/21/31/581702131.db2.gz	UMJTWFOHNYFUJE-UHFFFAOYSA-N	-1	0	254.315	0.830	20	30		CCEDRM
C=C(Br)CNC(=O)CCNC(=O)[O-]	ZINC000736095077	581702132	/nfs/dbraw/zinc/70/21/32/581702132.db2.gz	HMPLSSWHLPQVEE-UHFFFAOYSA-N	-1	0	251.080	0.669	20	30		CCEDRM
CC(=O)C1=C(C(=O)[O-])NC(=S)N[C@H]1c1cscn1	ZINC000736125651	581704762	/nfs/dbraw/zinc/70/47/62/581704762.db2.gz	KGTYZGGYOPTKTP-ZETCQYMHSA-N	-1	0	283.334	0.590	20	30		CCEDRM
CNC(=O)C(C#N)=C([O-])c1ccc(N(C)C)c(F)c1	ZINC000770107768	581730756	/nfs/dbraw/zinc/73/07/56/581730756.db2.gz	SSMKJMJYKAOJMC-VIFPVBQESA-N	-1	0	263.272	0.960	20	30		CCEDRM
CC[C@@H](C#N)NC(=O)CNc1ccc(-c2nn[nH]n2)cc1	ZINC000736309317	581735002	/nfs/dbraw/zinc/73/50/02/581735002.db2.gz	NLSAUZSETKDXDQ-JTQLQIEISA-N	-1	0	285.311	0.697	20	30		CCEDRM
CC(C)[C@@](C)(C#N)NC(=O)COC(=O)C(C)(C)NC(=O)[O-]	ZINC000736350536	581748415	/nfs/dbraw/zinc/74/84/15/581748415.db2.gz	ZCUVIDKPGRDKFV-CYBMUJFWSA-N	-1	0	299.327	0.630	20	30		CCEDRM
COc1ncc(C([O-])=C(C#N)C(=O)c2nccn2C)cn1	ZINC000770871685	581775294	/nfs/dbraw/zinc/77/52/94/581775294.db2.gz	OSTLVKOLDHUBSQ-SECBINFHSA-N	-1	0	285.263	0.424	20	30		CCEDRM
C[C@H](NC(=O)c1cc(=O)[nH][n-]1)c1ccc(C#N)cc1	ZINC000731869133	581788386	/nfs/dbraw/zinc/78/83/86/581788386.db2.gz	MJZIROMAFHXYJX-QMMMGPOBSA-N	-1	0	256.265	0.611	20	30		CCEDRM
N#Cc1nc(NC(=O)c2ccc(NC=O)cc2)[n-]c1C#N	ZINC000771545177	581807733	/nfs/dbraw/zinc/80/77/33/581807733.db2.gz	IRVODAPBZWKNJN-UHFFFAOYSA-N	-1	0	280.247	0.974	20	30		CCEDRM
C[C@](NS(=O)(=O)CCCC#N)(C(=O)[O-])C1CC1	ZINC000736663899	581811234	/nfs/dbraw/zinc/81/12/34/581811234.db2.gz	HHOUNGYZOVHGFH-SNVBAGLBSA-N	-1	0	260.315	0.463	20	30		CCEDRM
C#CCCCC(=O)[N-]S(=O)(=O)c1c(C)nn(C)c1OC	ZINC000759671102	581814948	/nfs/dbraw/zinc/81/49/48/581814948.db2.gz	FLMJQYMYNSFMPF-UHFFFAOYSA-N	-1	0	299.352	0.346	20	30		CCEDRM
N#Cc1ccc([O-])c(NC(=O)Cn2cccnc2=O)c1	ZINC000759713311	581817197	/nfs/dbraw/zinc/81/71/97/581817197.db2.gz	KYDSKRBQNAGBEJ-UHFFFAOYSA-N	-1	0	270.248	0.459	20	30		CCEDRM
C[C@H](Oc1ccccc1C#N)C(=O)N(CC#N)CC(=O)[O-]	ZINC000736706836	581822468	/nfs/dbraw/zinc/82/24/68/581822468.db2.gz	JMLNKRKGNQPYSC-JTQLQIEISA-N	-1	0	287.275	0.762	20	30		CCEDRM
C=CCOCC(=O)[N-]S(=O)(=O)c1ccc(OC)nc1	ZINC000759824716	581826032	/nfs/dbraw/zinc/82/60/32/581826032.db2.gz	OFZPNQIEGFDVIG-UHFFFAOYSA-N	-1	0	286.309	0.098	20	30		CCEDRM
Cn1nc(C([O-])=C(C#N)C(=O)NC2CC2)cc1C1CC1	ZINC000744030571	581830353	/nfs/dbraw/zinc/83/03/53/581830353.db2.gz	HWZOWFFURHBDRU-JTQLQIEISA-N	-1	0	272.308	0.899	20	30		CCEDRM
CNC(=O)c1cccc(C([O-])=C(C#N)C(=O)NC2CC2)c1	ZINC000744030561	581830394	/nfs/dbraw/zinc/83/03/94/581830394.db2.gz	HTOHRDCVSIXLJR-GFCCVEGCSA-N	-1	0	285.303	0.647	20	30		CCEDRM
CC(C)[C@](C)(C#N)NC(=O)CN1CC[C@@H](CNC(=O)[O-])C1	ZINC000738761634	581856372	/nfs/dbraw/zinc/85/63/72/581856372.db2.gz	AHXFSCMSDHJQCK-FZMZJTMJSA-N	-1	0	296.371	0.630	20	30		CCEDRM
C=CCS(=O)(=O)[N-]C(=O)Cc1ccccc1[N+](=O)[O-]	ZINC000772718060	581886267	/nfs/dbraw/zinc/88/62/67/581886267.db2.gz	XEAPVFFDDIUTBA-UHFFFAOYSA-N	-1	0	284.293	0.769	20	30		CCEDRM
C=CCS(=O)(=O)[N-]C(=O)/C=C\c1cnn(C)c1	ZINC000772723768	581886597	/nfs/dbraw/zinc/88/65/97/581886597.db2.gz	SKIUZBASFJXFHV-PLNGDYQASA-N	-1	0	255.299	0.065	20	30		CCEDRM
C=CCS(=O)(=O)[N-]C(=O)c1c(C)onc1CC	ZINC000772720793	581886739	/nfs/dbraw/zinc/88/67/39/581886739.db2.gz	UGUMRVPCKMWJEK-UHFFFAOYSA-N	-1	0	258.299	0.791	20	30		CCEDRM
CC(C)NC(=O)[C@@H](C#N)C(=O)CC(C)(C)NC(=O)[O-]	ZINC000738854911	581899464	/nfs/dbraw/zinc/89/94/64/581899464.db2.gz	QKBRNZRRWGSASZ-QMMMGPOBSA-N	-1	0	269.301	0.656	20	30		CCEDRM
C=CCCC(=O)N1CCSC[C@@H]1c1nnn[n-]1	ZINC000773161765	581911708	/nfs/dbraw/zinc/91/17/08/581911708.db2.gz	MCIHMEJKTSFTFZ-MRVPVSSYSA-N	-1	0	253.331	0.782	20	30		CCEDRM
C=CCN(CC(=O)[O-])C(=O)c1cccc(=O)n1C	ZINC000762069857	581930264	/nfs/dbraw/zinc/93/02/64/581930264.db2.gz	XQQAMTJCQIGNEE-UHFFFAOYSA-N	-1	0	250.254	0.098	20	30		CCEDRM
C=CCNC(=O)C(C#N)=C([O-])c1cccc(-n2cccn2)n1	ZINC000737317333	581944655	/nfs/dbraw/zinc/94/46/55/581944655.db2.gz	WECJMMJNRCCAIF-NSHDSACASA-N	-1	0	295.302	0.892	20	30		CCEDRM
CNC(=O)C(C#N)=C([O-])c1ccc(NC(C)=O)c(F)c1	ZINC000774055976	581955483	/nfs/dbraw/zinc/95/54/83/581955483.db2.gz	RDKNHZGPHGZQDT-VIFPVBQESA-N	-1	0	277.255	0.853	20	30		CCEDRM
N#Cc1ccc([O-])c(NC(=O)[C@H]2CCS(=O)(=O)C2)c1	ZINC000747998772	581959493	/nfs/dbraw/zinc/95/94/93/581959493.db2.gz	GYXSVGBNHJSBBF-VIFPVBQESA-N	-1	0	280.305	0.637	20	30		CCEDRM
C=CCS(=O)(=O)[N-]C(=O)c1coc(OCC)n1	ZINC000774251390	581966671	/nfs/dbraw/zinc/96/66/71/581966671.db2.gz	PRFMOFQPDYDRAL-UHFFFAOYSA-N	-1	0	260.271	0.319	20	30		CCEDRM
N#C[C@@H]1COCCN1C(=O)c1n[n-]c2ccccc2c1=O	ZINC000748342105	581969328	/nfs/dbraw/zinc/96/93/28/581969328.db2.gz	KKBSIKFQDLRKBN-SECBINFHSA-N	-1	0	284.275	0.700	20	30		CCEDRM
CN1CC[C@H](N[C@H](C(=O)[O-])c2ccc(C#N)cc2)C1=O	ZINC000737514043	581969794	/nfs/dbraw/zinc/96/97/94/581969794.db2.gz	DBRCCEAHWSGACO-RYUDHWBXSA-N	-1	0	273.292	0.504	20	30		CCEDRM
CN1CCN([C@H](C(=O)[O-])c2ccc(C#N)cc2)CC1=O	ZINC000737515566	581970557	/nfs/dbraw/zinc/97/05/57/581970557.db2.gz	LJQYDZBJADBOCQ-ZDUSSCGKSA-N	-1	0	273.292	0.458	20	30		CCEDRM
COCCO[N-]C(=O)COc1cccc(C#N)c1	ZINC000748774290	581986325	/nfs/dbraw/zinc/98/63/25/581986325.db2.gz	PAAIWGAYBCMBGJ-UHFFFAOYSA-N	-1	0	250.254	0.631	20	30		CCEDRM
NC(=O)N1CCC(N=Nc2ccc(C(=O)[O-])cn2)CC1	ZINC000763368245	581996688	/nfs/dbraw/zinc/99/66/88/581996688.db2.gz	KAYHPOODVRWKGG-UHFFFAOYSA-N	-1	0	277.284	0.722	20	30		CCEDRM
CCOCCCNC(=O)C(C#N)=C([O-])c1ccn(C)c1	ZINC000763468805	581999988	/nfs/dbraw/zinc/99/99/88/581999988.db2.gz	IYLVWDLUBDPCTQ-GFCCVEGCSA-N	-1	0	277.324	0.890	20	30		CCEDRM
N#Cc1ccc(NCC(=O)[N-]OC2CCOCC2)nc1	ZINC000775240792	582016024	/nfs/dbraw/zinc/01/60/24/582016024.db2.gz	JJQQYSMRAGAXJG-UHFFFAOYSA-N	-1	0	276.296	0.592	20	30		CCEDRM
CNC(=O)C(C#N)=C([O-])c1nccn2cc(C)nc12	ZINC000763944057	582021618	/nfs/dbraw/zinc/02/16/18/582021618.db2.gz	MJJWAPRWWBDAJU-MRVPVSSYSA-N	-1	0	257.253	0.106	20	30		CCEDRM
C#C[C@H](C)NC(=O)Cc1c(C)nc(-c2ncccn2)[n-]c1=O	ZINC000775382494	582021798	/nfs/dbraw/zinc/02/17/98/582021798.db2.gz	UYHPFVBBGPWOOJ-VIFPVBQESA-N	-1	0	297.318	0.628	20	30		CCEDRM
C[C@H](CO)NN=Cc1cccc(O[C@H](C)C(=O)[O-])c1	ZINC000749815066	582023170	/nfs/dbraw/zinc/02/31/70/582023170.db2.gz	FHKDCOBMGYQCDZ-NXEZZACHSA-N	-1	0	266.297	0.843	20	30		CCEDRM
CSc1cc(C(=O)N(CC#N)CC(=O)[O-])ccn1	ZINC000738194968	582027072	/nfs/dbraw/zinc/02/70/72/582027072.db2.gz	FXPBBJATALJRSN-UHFFFAOYSA-N	-1	0	265.294	0.854	20	30		CCEDRM
Cc1cc([C@H](C#N)C(=O)CCNC(=O)[O-])nc(C)n1	ZINC000738350810	582038440	/nfs/dbraw/zinc/03/84/40/582038440.db2.gz	BSGJXKLRIVPQOT-VIFPVBQESA-N	-1	0	262.269	0.927	20	30		CCEDRM
N#Cc1ccc(C(=O)N2CCC[C@H](NC(=O)[O-])C2)nc1	ZINC000738431223	582048998	/nfs/dbraw/zinc/04/89/98/582048998.db2.gz	UQQHFWFJCISUDP-JTQLQIEISA-N	-1	0	274.280	0.825	20	30		CCEDRM
N#Cc1cccc(NC(=O)C(=O)NCCC(=O)[O-])c1	ZINC000738433510	582049150	/nfs/dbraw/zinc/04/91/50/582049150.db2.gz	GMCLRYOUOQMCPS-UHFFFAOYSA-N	-1	0	261.237	0.088	20	30		CCEDRM
Cc1c[nH]cc1C(=O)[N-]S(=O)(=O)CCCC#N	ZINC000776116137	582052212	/nfs/dbraw/zinc/05/22/12/582052212.db2.gz	HVEKMPSJBUCSEY-UHFFFAOYSA-N	-1	0	255.299	0.687	20	30		CCEDRM
C#CCN1CCC[C@H]1C(=O)N[C@@H]1CCC[C@@H]1CNC(=O)[O-]	ZINC000738459857	582052893	/nfs/dbraw/zinc/05/28/93/582052893.db2.gz	GLMFQKGHCMCXJX-UPJWGTAASA-N	-1	0	293.367	0.637	20	30		CCEDRM
COc1cccc(C(=O)[N-]S(=O)(=O)CCCC#N)n1	ZINC000776122877	582053009	/nfs/dbraw/zinc/05/30/09/582053009.db2.gz	UNBDOAQWDLVSNV-UHFFFAOYSA-N	-1	0	283.309	0.454	20	30		CCEDRM
C#CCNC(=O)COC(=O)c1ccc(F)c(NC(=O)[O-])c1	ZINC000738463131	582053855	/nfs/dbraw/zinc/05/38/55/582053855.db2.gz	NIUAXJQHRIXOEX-UHFFFAOYSA-N	-1	0	294.238	0.822	20	30		CCEDRM
Cn1cc(/C=C\C(=O)[N-]S(=O)(=O)CC(C)(C)C#N)cn1	ZINC000776143528	582054038	/nfs/dbraw/zinc/05/40/38/582054038.db2.gz	QNFHFMYGUYTIJP-PLNGDYQASA-N	-1	0	296.352	0.429	20	30		CCEDRM
C=C(COC(=O)[C@@H]1CCCN1C(=O)[O-])C(=O)OCC	ZINC000738485809	582055230	/nfs/dbraw/zinc/05/52/30/582055230.db2.gz	SAWNJJAJGQEFQU-VIFPVBQESA-N	-1	0	271.269	0.791	20	30		CCEDRM
C=CCNC(=O)COC(=O)[C@H]1CCC[C@@H]1NC(=O)[O-]	ZINC000738496287	582056626	/nfs/dbraw/zinc/05/66/26/582056626.db2.gz	VVCUOYVMXIHLGI-IUCAKERBSA-N	-1	0	270.285	0.268	20	30		CCEDRM
CS(=O)(=O)NN=Cc1cccc(OCC(=O)[O-])c1	ZINC000764705438	582063360	/nfs/dbraw/zinc/06/33/60/582063360.db2.gz	XQDIOBVQJRUJEJ-UHFFFAOYSA-N	-1	0	272.282	0.033	20	30		CCEDRM
CS(=O)(=O)NN=Cc1ccc(OCC(=O)[O-])cc1	ZINC000764708112	582063582	/nfs/dbraw/zinc/06/35/82/582063582.db2.gz	PIXBFVSZUZXGMZ-UHFFFAOYSA-N	-1	0	272.282	0.033	20	30		CCEDRM
Cn1cc(C#N)cc1C(=O)NCCc1n[n-]c(=S)o1	ZINC000776537611	582076648	/nfs/dbraw/zinc/07/66/48/582076648.db2.gz	QBIDADJGQNNPQC-UHFFFAOYSA-N	-1	0	277.309	0.541	20	30		CCEDRM
N#CCN(CC(=O)[O-])C(=O)CSc1nncs1	ZINC000739078367	582100544	/nfs/dbraw/zinc/10/05/44/582100544.db2.gz	FXODRYYPWVDZIX-UHFFFAOYSA-N	-1	0	272.311	0.067	20	30		CCEDRM
N#CCN(CC(=O)[O-])C(=O)[C@H]1COc2ccccc21	ZINC000739077575	582101420	/nfs/dbraw/zinc/10/14/20/582101420.db2.gz	RGDXVDYLBYGJCW-JTQLQIEISA-N	-1	0	260.249	0.599	20	30		CCEDRM
N#Cc1ccc(C(=O)Cn2cnc(C(=O)[O-])n2)cc1	ZINC000739102021	582102344	/nfs/dbraw/zinc/10/23/44/582102344.db2.gz	NCCADGBNKQJETN-UHFFFAOYSA-N	-1	0	256.221	0.731	20	30		CCEDRM
O=C([O-])Cn1cc(CN=Nc2cncc(Cl)n2)nn1	ZINC000768485052	582107270	/nfs/dbraw/zinc/10/72/70/582107270.db2.gz	ZUFAJGADKCNBOT-UHFFFAOYSA-N	-1	0	281.663	0.252	20	30		CCEDRM
CN(C(=O)CSCC(=O)[O-])[C@@H]1CCC[C@@H]1C#N	ZINC000902339808	615819217	/nfs/dbraw/zinc/81/92/17/615819217.db2.gz	XBFGTZWXDCJFLO-RKDXNWHRSA-N	-1	0	256.327	0.955	20	30		CCEDRM
CC[C@@H](NS(=O)(=O)c1cccc(F)c1C#N)C(=O)[O-]	ZINC000070393968	597373426	/nfs/dbraw/zinc/37/34/26/597373426.db2.gz	QGXUQBUBHOTTKB-SECBINFHSA-N	-1	0	286.284	0.839	20	30		CCEDRM
N#CCc1ccc(C(=O)N2CCO[C@@H](C(=O)[O-])C2)cc1	ZINC000262091559	597425350	/nfs/dbraw/zinc/42/53/50/597425350.db2.gz	LSALVTSRHGPMAH-GFCCVEGCSA-N	-1	0	274.276	0.678	20	30		CCEDRM
C[C@H](C(=O)[O-])N(C)S(=O)(=O)c1cccc(F)c1C#N	ZINC000070394002	597478513	/nfs/dbraw/zinc/47/85/13/597478513.db2.gz	IFAYWVQHZXECAI-SSDOTTSWSA-N	-1	0	286.284	0.791	20	30		CCEDRM
C[C@@H](OC(=O)[C@@](C)(C#N)CC(=O)[O-])C(=O)N(C)C	ZINC000820161256	597613527	/nfs/dbraw/zinc/61/35/27/597613527.db2.gz	NNLKNCIWURKOQG-RDDDGLTNSA-N	-1	0	256.258	0.011	20	30		CCEDRM
Cc1cc(COC(=O)[C@](C)(C#N)CC(=O)[O-])nn1C	ZINC000820976342	597622877	/nfs/dbraw/zinc/62/28/77/597622877.db2.gz	BSLMKYBXRYXALI-LBPRGKRZSA-N	-1	0	265.269	0.776	20	30		CCEDRM
C[C@@H]1CN(C(=O)[C@@](C)(C#N)CC(=O)[O-])C[C@@H](C)O1	ZINC000820244549	597628789	/nfs/dbraw/zinc/62/87/89/597628789.db2.gz	DYVLCDOVUWUEAV-KBVBSXBZSA-N	-1	0	254.286	0.627	20	30		CCEDRM
C[C@](C#N)(CC(=O)[O-])C(=O)NCC[C@H]1CCCO1	ZINC000819834768	597631531	/nfs/dbraw/zinc/63/15/31/597631531.db2.gz	OZUWNRGWRQNAEB-BXKDBHETSA-N	-1	0	254.286	0.676	20	30		CCEDRM
Cn1cc(CCNC(=O)[C@](C)(C#N)CC(=O)[O-])cn1	ZINC000821287286	597637015	/nfs/dbraw/zinc/63/70/15/597637015.db2.gz	HGAISIYTWWMJPA-LBPRGKRZSA-N	-1	0	264.285	0.083	20	30		CCEDRM
C[C@](C#N)(CC(=O)[O-])C(=O)N1CC(n2ccnc2)C1	ZINC000819810730	597646322	/nfs/dbraw/zinc/64/63/22/597646322.db2.gz	FZUTYZYCIMSHKK-GFCCVEGCSA-N	-1	0	262.269	0.271	20	30		CCEDRM
C[C@](C#N)(CC(=O)[O-])C(=O)N1CCO[C@H](C(F)(F)F)C1	ZINC000819821599	597648221	/nfs/dbraw/zinc/64/82/21/597648221.db2.gz	IQJYYJGEPNRXNB-OIBJUYFYSA-N	-1	0	294.229	0.781	20	30		CCEDRM
C[C@H](CC[S@](C)=O)NC(=O)[C@@](C)(C#N)CC(=O)[O-]	ZINC000820095703	597651485	/nfs/dbraw/zinc/65/14/85/597651485.db2.gz	MVAXFSRIEQQDJX-BNYJVKCBSA-N	-1	0	274.342	0.264	20	30		CCEDRM
NC(=NOCC(=O)NCC(=O)[O-])c1ccc(Cl)cc1	ZINC000821345296	597760628	/nfs/dbraw/zinc/76/06/28/597760628.db2.gz	VKVJXWYOSYIYKI-UHFFFAOYSA-N	-1	0	285.687	0.178	20	30		CCEDRM
C#CCOCCNC(=O)[C@H]1CCC[C@H](C(=O)[O-])C1	ZINC000833366319	612988488	/nfs/dbraw/zinc/98/84/88/612988488.db2.gz	QWASEGBOJNSNDJ-QWRGUYRKSA-N	-1	0	253.298	0.643	20	30		CCEDRM
C[C@H](C#N)CNC(=O)C(=O)Nc1ccccc1CC(=O)[O-]	ZINC000819874557	598170941	/nfs/dbraw/zinc/17/09/41/598170941.db2.gz	MTDLYRMTFKAKLU-SECBINFHSA-N	-1	0	289.291	0.528	20	30		CCEDRM
C=CCNC(=O)CNC(=O)N1CCC[C@H](CC(=O)[O-])C1	ZINC000393839022	598195996	/nfs/dbraw/zinc/19/59/96/598195996.db2.gz	UEQDRLBJSNKWNU-SNVBAGLBSA-N	-1	0	283.328	0.185	20	30		CCEDRM
C[C@@](C#N)(CC(=O)[O-])C(=O)Nc1cccc(C(N)=O)n1	ZINC000819857152	598228128	/nfs/dbraw/zinc/22/81/28/598228128.db2.gz	SOGGGSQPFOECHW-LBPRGKRZSA-N	-1	0	276.252	0.124	20	30		CCEDRM
C[C@](C#N)(CC(=O)[O-])C(=O)Nc1nc(C(N)=O)cs1	ZINC000819865630	598228239	/nfs/dbraw/zinc/22/82/39/598228239.db2.gz	MWGMLMWQZBVDEE-SNVBAGLBSA-N	-1	0	282.281	0.185	20	30		CCEDRM
C[C@](C#N)(CC(=O)[O-])C(=O)N[C@H]1CCCn2ncnc21	ZINC000819823305	598229686	/nfs/dbraw/zinc/22/96/86/598229686.db2.gz	SPIFWAOZXWHCKF-QPUJVOFHSA-N	-1	0	277.284	0.234	20	30		CCEDRM
C[C@H](NC(=O)[C@](C)(C#N)CC(=O)[O-])C1CCOCC1	ZINC000820113740	598230457	/nfs/dbraw/zinc/23/04/57/598230457.db2.gz	FURHYHRRZHUSBR-ZANVPECISA-N	-1	0	268.313	0.922	20	30		CCEDRM
C[C@@](C#N)(CC(=O)[O-])C(=O)N1CCOC2(CCOCC2)C1	ZINC000819822028	598230628	/nfs/dbraw/zinc/23/06/28/598230628.db2.gz	LHQFRCWTTHVNKT-ZDUSSCGKSA-N	-1	0	296.323	0.399	20	30		CCEDRM
COc1ccc(C#N)cc1Cn1cnc(-c2nnn[n-]2)n1	ZINC000821769988	607378022	/nfs/dbraw/zinc/37/80/22/607378022.db2.gz	MPXYHQHCMBZFEN-UHFFFAOYSA-N	-1	0	282.267	0.387	20	30		CCEDRM
C#CCO[C@H](C)C(=O)[N-]S(=O)(=O)C1(C=C)CC1	ZINC000870838017	613002260	/nfs/dbraw/zinc/00/22/60/613002260.db2.gz	IIHVZOFVXFVBQD-SECBINFHSA-N	-1	0	257.311	0.189	20	30		CCEDRM
N#CCCCS(=O)(=O)N1CCC(C(=O)[O-])CC1	ZINC000261739061	599715572	/nfs/dbraw/zinc/71/55/72/599715572.db2.gz	UOAPVPITGSLCEV-UHFFFAOYSA-N	-1	0	260.315	0.417	20	30		CCEDRM
CC[C@](C)(NS(=O)(=O)c1ccc(C#N)nc1)C(=O)[O-]	ZINC000228698585	599730382	/nfs/dbraw/zinc/73/03/82/599730382.db2.gz	OKHZYIVMOMTHLB-NSHDSACASA-N	-1	0	283.309	0.485	20	30		CCEDRM
C#CC(C)(C)N(C)S(=O)(=O)c1cc(C(=O)[O-])n(C)c1	ZINC000906952414	612945885	/nfs/dbraw/zinc/94/58/85/612945885.db2.gz	HOIFARKECSYQMK-UHFFFAOYSA-N	-1	0	284.337	0.756	20	30		CCEDRM
CN(CC(=O)NCC#N)Cc1ccc(C(=O)[O-])cc1	ZINC000037918873	599923607	/nfs/dbraw/zinc/92/36/07/599923607.db2.gz	IMYMSLANMJRSMS-UHFFFAOYSA-N	-1	0	261.281	0.456	20	30		CCEDRM
N#Cc1ccsc1NC(=O)CN1CCO[C@H](C(=O)[O-])C1	ZINC000043704650	599972380	/nfs/dbraw/zinc/97/23/80/599972380.db2.gz	WVCYXMCNUGBJCW-VIFPVBQESA-N	-1	0	295.320	0.344	20	30		CCEDRM
COCCN(CC(=O)[O-])C(=O)COc1ccccc1C#N	ZINC000049606654	600382196	/nfs/dbraw/zinc/38/21/96/600382196.db2.gz	MPQNZOKMEUCZBR-UHFFFAOYSA-N	-1	0	292.291	0.497	20	30		CCEDRM
C#CCCCNS(=O)(=O)c1c[nH]c(C(=O)[O-])c1	ZINC000229817926	600785472	/nfs/dbraw/zinc/78/54/72/600785472.db2.gz	DBOBWUSWOVCYGL-UHFFFAOYSA-N	-1	0	256.283	0.405	20	30		CCEDRM
C=CCOCCCC(=O)Nc1ccn(CC(=O)[O-])n1	ZINC000122921316	600874969	/nfs/dbraw/zinc/87/49/69/600874969.db2.gz	CDGNNFNUXCXQNI-UHFFFAOYSA-N	-1	0	267.285	0.889	20	30		CCEDRM
N#CCN(CC(=O)[O-])CC(=O)NC(=O)NC1CCCCC1	ZINC000833066359	601005112	/nfs/dbraw/zinc/00/51/12/601005112.db2.gz	WCZQHBGJOJEKOH-UHFFFAOYSA-N	-1	0	296.327	0.055	20	30		CCEDRM
N#CCN(CC(=O)[O-])CC(=O)N1CCCCCC1	ZINC000833066393	601005135	/nfs/dbraw/zinc/00/51/35/601005135.db2.gz	XIDFUVHCYDIEPE-UHFFFAOYSA-N	-1	0	253.302	0.299	20	30		CCEDRM
N#CCNC(=O)COC(=O)[C@@H]1CCC[C@@H](C(=O)[O-])C1	ZINC000833066674	601185939	/nfs/dbraw/zinc/18/59/39/601185939.db2.gz	FXDIVJGRNFEKQB-RKDXNWHRSA-N	-1	0	268.269	0.060	20	30		CCEDRM
Cc1oc(S(=O)(=O)N[C@@H](C)CC#N)cc1C(=O)[O-]	ZINC000833028858	601219749	/nfs/dbraw/zinc/21/97/49/601219749.db2.gz	RASUKEQPIJUMBB-LURJTMIESA-N	-1	0	272.282	0.867	20	30		CCEDRM
N#C[C@H](C(=O)NC1CC1)C(=O)[C@H]1CCC[C@H](C(=O)[O-])C1	ZINC000833062422	601237103	/nfs/dbraw/zinc/23/71/03/601237103.db2.gz	BIGFCRPMSPBTPB-QXEWZRGKSA-N	-1	0	278.308	0.865	20	30		CCEDRM
C[C@@H](OC(=O)Cc1cccc(C#N)c1)C(=O)NCC(=O)[O-]	ZINC000827838094	601469823	/nfs/dbraw/zinc/46/98/23/601469823.db2.gz	BCSBIPOJIOIHHZ-SECBINFHSA-N	-1	0	290.275	0.233	20	30		CCEDRM
C[C@@H](C#N)CNS(=O)(=O)c1ccc(F)c(C(=O)[O-])c1	ZINC000054156585	601476762	/nfs/dbraw/zinc/47/67/62/601476762.db2.gz	GERHKQVDJCAJRY-ZETCQYMHSA-N	-1	0	286.284	0.962	20	30		CCEDRM
N#C[C@H]1COCCN1C(=O)c1ccc(C(=O)[O-])cn1	ZINC000833063112	601678306	/nfs/dbraw/zinc/67/83/06/601678306.db2.gz	SGVHIFLSVQBEGY-VIFPVBQESA-N	-1	0	261.237	0.144	20	30		CCEDRM
N#Cc1ccc(CCC(=O)N[C@@]2(C(=O)[O-])CCOC2)cc1	ZINC000833072773	601724726	/nfs/dbraw/zinc/72/47/26/601724726.db2.gz	QBPAAXBYEILGCK-HNNXBMFYSA-N	-1	0	288.303	0.851	20	30		CCEDRM
O=C(C#Cc1ccccc1)N[C@@]1(C(=O)[O-])CCOC1	ZINC000085853851	601765624	/nfs/dbraw/zinc/76/56/24/601765624.db2.gz	GJHVLZQVXQDIKE-AWEZNQCLSA-N	-1	0	259.261	0.398	20	30		CCEDRM
C#CCNC(=O)CNc1cc(F)c(F)cc1C(=O)[O-]	ZINC000825620044	601830734	/nfs/dbraw/zinc/83/07/34/601830734.db2.gz	SPWIYILDLGLXCP-UHFFFAOYSA-N	-1	0	268.219	0.824	20	30		CCEDRM
C#CCSCCNC(=O)N1CCN(C(=O)[O-])[C@H](C)C1	ZINC000823467483	613016103	/nfs/dbraw/zinc/01/61/03/613016103.db2.gz	XSSPMEHCAHKXTJ-SNVBAGLBSA-N	-1	0	285.369	0.747	20	30		CCEDRM
Cn1cc(C#N)c(NC(=O)N2CC[C@](C)(C(=O)[O-])C2)n1	ZINC000833041061	602019575	/nfs/dbraw/zinc/01/95/75/602019575.db2.gz	XBPMWGWLJNQWED-LBPRGKRZSA-N	-1	0	277.284	0.620	20	30		CCEDRM
C#CCNC(=O)[C@@H](C)OC(=O)[C@H]1CCCCN1C(=O)[O-]	ZINC000823457162	612949154	/nfs/dbraw/zinc/94/91/54/612949154.db2.gz	VSPLKFKLNFDNKI-NXEZZACHSA-N	-1	0	282.296	0.200	20	30		CCEDRM
Cc1ccc(S(=O)(=O)NCC#N)cc1C(=O)[O-]	ZINC000040605461	602153077	/nfs/dbraw/zinc/15/30/77/602153077.db2.gz	IAMBGNTZWMVJMH-UHFFFAOYSA-N	-1	0	254.267	0.495	20	30		CCEDRM
CS(=O)(=O)[C@@H]1CCCCC1=NNCCC(=O)[O-]	ZINC000820886137	617178984	/nfs/dbraw/zinc/17/89/84/617178984.db2.gz	XHXPFLYDUVNPAL-SECBINFHSA-N	-1	0	262.331	0.394	20	30		CCEDRM
C[C@@H](CC(=O)[O-])C(=O)NC[C@@H]1CCCN(CC#N)C1	ZINC000827290721	602300024	/nfs/dbraw/zinc/30/00/24/602300024.db2.gz	HENOLTCJIIJHIE-QWRGUYRKSA-N	-1	0	267.329	0.449	20	30		CCEDRM
COc1cc(C=NNCC(=O)[O-])ccc1OC(C)=O	ZINC000814959037	617179395	/nfs/dbraw/zinc/17/93/95/617179395.db2.gz	HXFISQFOTCQCNS-UHFFFAOYSA-N	-1	0	266.253	0.629	20	30		CCEDRM
C#CC[C@@H](CO)[N-]S(=O)(=O)N=[S@@](C)(=O)C(C)(C)C	ZINC000882340736	613030744	/nfs/dbraw/zinc/03/07/44/613030744.db2.gz	PTYVLVGDOVYYQD-XYZCENFISA-N	-1	0	296.414	0.101	20	30		CCEDRM
Cn1cc(C#N)cc1C(=O)N[C@@H]1CCN(C(=O)[O-])C1	ZINC000830989865	603516112	/nfs/dbraw/zinc/51/61/12/603516112.db2.gz	UXOXXXXVBYMHBN-SECBINFHSA-N	-1	0	262.269	0.379	20	30		CCEDRM
N#Cc1cnn(C(=O)CN(CC2CC2)C(=O)[O-])c1N	ZINC000831161621	603520993	/nfs/dbraw/zinc/52/09/93/603520993.db2.gz	GTJBTSYODXRYGJ-UHFFFAOYSA-N	-1	0	263.257	0.367	20	30		CCEDRM
N#CCN1CCC(NC(=O)[C@H]2CC[C@H](NC(=O)[O-])C2)CC1	ZINC000831102778	603580774	/nfs/dbraw/zinc/58/07/74/603580774.db2.gz	UJYJIFFPMIURRR-JQWIXIFHSA-N	-1	0	294.355	0.527	20	30		CCEDRM
Cc1cc(C(=O)N2CCN(C(=O)[O-])C[C@@H]2C#N)on1	ZINC000829930659	603592468	/nfs/dbraw/zinc/59/24/68/603592468.db2.gz	ZZRPKTOYBQDBRY-QMMMGPOBSA-N	-1	0	264.241	0.311	20	30		CCEDRM
N#C[C@H]1CN(C(=O)[O-])CCN1C(=O)CCc1cscn1	ZINC000831082549	603596409	/nfs/dbraw/zinc/59/64/09/603596409.db2.gz	NQXRAXDTOLFDLV-JTQLQIEISA-N	-1	0	294.336	0.790	20	30		CCEDRM
N#C[C@H]1CN(C(=O)[O-])CCN1C(=O)CCc1cccnc1	ZINC000831083296	603596619	/nfs/dbraw/zinc/59/66/19/603596619.db2.gz	YLHAPRVXUQPGPH-LBPRGKRZSA-N	-1	0	288.307	0.729	20	30		CCEDRM
N#CCN1C(=O)N[C@@]2(CCCC[C@H]2CNC(=O)[O-])C1=O	ZINC000831097215	603676997	/nfs/dbraw/zinc/67/69/97/603676997.db2.gz	FORMHIXRFROJBA-QPUJVOFHSA-N	-1	0	280.284	0.258	20	30		CCEDRM
Cc1cc(NC(=O)CN2CCN(C(=O)[O-])C[C@H]2C#N)no1	ZINC000830103633	603727517	/nfs/dbraw/zinc/72/75/17/603727517.db2.gz	KZZHKTVFYPNHRT-SECBINFHSA-N	-1	0	293.283	0.109	20	30		CCEDRM
C[C@H](CC(=O)NC[C@H]1CCCN(CC#N)C1)NC(=O)[O-]	ZINC000824634395	603914786	/nfs/dbraw/zinc/91/47/86/603914786.db2.gz	DQQJUGIUEHGORT-GHMZBOCLSA-N	-1	0	282.344	0.384	20	30		CCEDRM
N#C[C@@H]1CCC[C@H]1NC(=O)[C@H]1CCN(C(=O)[O-])C1	ZINC000831076326	603959094	/nfs/dbraw/zinc/95/90/94/603959094.db2.gz	KAKGGZACYJUUQW-LPEHRKFASA-N	-1	0	251.286	0.795	20	30		CCEDRM
Cc1ccc(C(=O)N2CCN(C(=O)[O-])C[C@@H]2C#N)n1C	ZINC000830199017	604069333	/nfs/dbraw/zinc/06/93/33/604069333.db2.gz	RXMIGNMFGCWTDA-JTQLQIEISA-N	-1	0	276.296	0.662	20	30		CCEDRM
N#C[C@@H]1CN(C(=O)[O-])CCN1C(=O)c1cocn1	ZINC000831092288	604075061	/nfs/dbraw/zinc/07/50/61/604075061.db2.gz	RSBMANKFSBXNBF-SSDOTTSWSA-N	-1	0	250.214	0.003	20	30		CCEDRM
N#Cc1ccc(C(=O)N2CCN(C(=O)[O-])C[C@@H]2C#N)cn1	ZINC000831123010	604080752	/nfs/dbraw/zinc/08/07/52/604080752.db2.gz	YUVAKIVWDXIEJW-NSHDSACASA-N	-1	0	285.263	0.281	20	30		CCEDRM
N#C[C@@H]1CN(C(=O)N[C@@H]2CCC[C@H]2CNC(=O)[O-])CCO1	ZINC000831075495	604184127	/nfs/dbraw/zinc/18/41/27/604184127.db2.gz	AEEJVEXEVVESAE-HBNTYKKESA-N	-1	0	296.327	0.357	20	30		CCEDRM
N#C[C@@H]1CCC[C@H]1NC(=O)[C@@H]1CN(C(=O)[O-])CCO1	ZINC000831076854	604273207	/nfs/dbraw/zinc/27/32/07/604273207.db2.gz	UBYFLMWHFKLDJR-AEJSXWLSSA-N	-1	0	267.285	0.174	20	30		CCEDRM
N#C[C@H]1CN(C(=O)[O-])CCN1C(=O)c1cncc(F)c1	ZINC000831092164	604308098	/nfs/dbraw/zinc/30/80/98/604308098.db2.gz	QMWCKMNIGAUTKU-JTQLQIEISA-N	-1	0	278.243	0.549	20	30		CCEDRM
N#Cc1cnc(NC(=O)CC2CN(C(=O)[O-])C2)s1	ZINC000831157033	604345224	/nfs/dbraw/zinc/34/52/24/604345224.db2.gz	OPDMLXLZLNQENL-UHFFFAOYSA-N	-1	0	266.282	0.953	20	30		CCEDRM
N#Cc1ncn(CC(=O)N2CCc3cc(C(=O)[O-])ccc32)n1	ZINC000833078365	604378919	/nfs/dbraw/zinc/37/89/19/604378919.db2.gz	HXCMHYDGMBLBQH-UHFFFAOYSA-N	-1	0	297.274	0.437	20	30		CCEDRM
Cn1ccc(C(=O)N2CCN(C(=O)[O-])C[C@@H]2C#N)c1	ZINC000831019161	604391609	/nfs/dbraw/zinc/39/16/09/604391609.db2.gz	XURWUHKFHHBWHS-JTQLQIEISA-N	-1	0	262.269	0.353	20	30		CCEDRM
N#CCCn1ccc(NC(=O)N2CC[C@@H](NC(=O)[O-])C2)n1	ZINC000831096984	604552075	/nfs/dbraw/zinc/55/20/75/604552075.db2.gz	ARJLNDAGCZZZMZ-SECBINFHSA-N	-1	0	292.299	0.671	20	30		CCEDRM
N#Cc1cc(COC(=O)C2(NC(=O)[O-])CC2)ccn1	ZINC000831113519	604662963	/nfs/dbraw/zinc/66/29/63/604662963.db2.gz	DAHXSHQYOOJLAR-UHFFFAOYSA-N	-1	0	261.237	0.797	20	30		CCEDRM
O=C([O-])N1CC(=NNS(=O)(=O)c2ccc(F)cc2)C1	ZINC000831838805	604680719	/nfs/dbraw/zinc/68/07/19/604680719.db2.gz	WSOWBLKKHDVDGD-UHFFFAOYSA-N	-1	0	287.272	0.454	20	30		CCEDRM
C[C@H](CC#N)N(C)S(=O)(=O)c1ccc(C(=O)[O-])nc1	ZINC000833516291	604693142	/nfs/dbraw/zinc/69/31/42/604693142.db2.gz	VHAJWOJGRWPOBN-MRVPVSSYSA-N	-1	0	283.309	0.702	20	30		CCEDRM
C[C@H](C#N)CN(C)C(=O)C[C@@H]1CN(C(=O)[O-])CCO1	ZINC000823648083	604740690	/nfs/dbraw/zinc/74/06/90/604740690.db2.gz	PRUOBMWPMAPIQE-NXEZZACHSA-N	-1	0	269.301	0.373	20	30		CCEDRM
N#CC1(NC(=O)C[C@@H]2CN(C(=O)[O-])CCO2)CCCC1	ZINC000831070982	604837405	/nfs/dbraw/zinc/83/74/05/604837405.db2.gz	WHXLCRXKGITRHJ-SNVBAGLBSA-N	-1	0	281.312	0.708	20	30		CCEDRM
C[C@H](CS(=O)(=O)Cc1ccnc(C#N)c1)C(=O)[O-]	ZINC000086110467	604870589	/nfs/dbraw/zinc/87/05/89/604870589.db2.gz	SPQWKMVOWQOWMP-MRVPVSSYSA-N	-1	0	268.294	0.589	20	30		CCEDRM
C[C@H](C#N)CNC(=O)C[C@H]1CN(C(=O)[O-])CCO1	ZINC000823648867	604874715	/nfs/dbraw/zinc/87/47/15/604874715.db2.gz	YGRUMNCYNNZQON-BDAKNGLRSA-N	-1	0	255.274	0.031	20	30		CCEDRM
C#CCNC(=O)[C@H](C)OC(=O)c1cncc(C(=O)[O-])c1	ZINC000833365417	605017591	/nfs/dbraw/zinc/01/75/91/605017591.db2.gz	IPUWRFAYMYITEK-QMMMGPOBSA-N	-1	0	276.248	0.075	20	30		CCEDRM
O=C([O-])c1ccccc1N=NC1CCS(=O)(=O)C1	ZINC000833783712	605099647	/nfs/dbraw/zinc/09/96/47/605099647.db2.gz	FTYIVBIJHHPEBQ-UHFFFAOYSA-N	-1	0	268.294	0.971	20	30		CCEDRM
N#CCc1ccccc1CC(=O)NC1CN(C(=O)[O-])C1	ZINC000833968304	605309698	/nfs/dbraw/zinc/30/96/98/605309698.db2.gz	RRLHNIAVQNEXBT-UHFFFAOYSA-N	-1	0	273.292	0.774	20	30		CCEDRM
N#CCCCS(=O)(=O)NCC1(NC(=O)[O-])CCC1	ZINC000833965229	605408845	/nfs/dbraw/zinc/40/88/45/605408845.db2.gz	FUKZTFNEHHSDKY-UHFFFAOYSA-N	-1	0	275.330	0.400	20	30		CCEDRM
C[C@H](CS(=O)(=O)N1CCC[C@@](C)(C#N)C1)C(=O)[O-]	ZINC000833520027	605413195	/nfs/dbraw/zinc/41/31/95/605413195.db2.gz	RHJQEAGIOWGXIN-KOLCDFICSA-N	-1	0	274.342	0.663	20	30		CCEDRM
C#CCOCCNS(=O)(=O)c1ccc(C)cc1C(=O)[O-]	ZINC000833366071	605418455	/nfs/dbraw/zinc/41/84/55/605418455.db2.gz	DZWHMKLWMGIZEW-UHFFFAOYSA-N	-1	0	297.332	0.621	20	30		CCEDRM
N#C[C@@H]1CN(C(=O)[O-])CCN1C(=O)C1SCCS1	ZINC000833966075	605621454	/nfs/dbraw/zinc/62/14/54/605621454.db2.gz	HGEUYSYWOOACAV-SSDOTTSWSA-N	-1	0	287.366	0.507	20	30		CCEDRM
C=CCOCCNC(=O)N1C[C@H](C)[C@@H](C(=O)[O-])C1	ZINC000385492285	605634494	/nfs/dbraw/zinc/63/44/94/605634494.db2.gz	QKVSXAPAFOEFAK-UWVGGRQHSA-N	-1	0	256.302	0.551	20	30		CCEDRM
C[C@@H](NC(=O)CN(CC#N)CC(=O)[O-])c1ccc(F)cc1	ZINC000827629660	617191888	/nfs/dbraw/zinc/19/18/88/617191888.db2.gz	HORDMXIYEWPTMR-SNVBAGLBSA-N	-1	0	293.298	0.913	20	30		CCEDRM
N#C[C@@H]1CN(C(=O)[O-])C[C@@H]1NC[C@@H](O)c1ccccc1	ZINC000833968764	605673072	/nfs/dbraw/zinc/67/30/72/605673072.db2.gz	XUXFFJMYVWYUMJ-FRRDWIJNSA-N	-1	0	275.308	0.812	20	30		CCEDRM
Cn1cc(C#N)cc1C(=O)NCC1CN(C(=O)[O-])C1	ZINC000833943126	605733416	/nfs/dbraw/zinc/73/34/16/605733416.db2.gz	CYVXDCIFTSXUJW-UHFFFAOYSA-N	-1	0	262.269	0.236	20	30		CCEDRM
N#Cc1cccc(C(=O)NCC2CN(C(=O)[O-])C2)c1	ZINC000833976919	605750847	/nfs/dbraw/zinc/75/08/47/605750847.db2.gz	LXUHBNKQFQYYLS-UHFFFAOYSA-N	-1	0	259.265	0.898	20	30		CCEDRM
N#Cc1ccc(NCC(=O)NCC2CN(C(=O)[O-])C2)cc1	ZINC000833976742	605783622	/nfs/dbraw/zinc/78/36/22/605783622.db2.gz	XLVKYJLHKYBLBQ-UHFFFAOYSA-N	-1	0	288.307	0.696	20	30		CCEDRM
N#Cc1ccc(C(=O)N2CCC[C@H](NC(=O)[O-])C2)[nH]1	ZINC000833972941	605852967	/nfs/dbraw/zinc/85/29/67/605852967.db2.gz	IMPXRKJGTRYWTK-VIFPVBQESA-N	-1	0	262.269	0.759	20	30		CCEDRM
C[C@]1(C(=O)OCC(=O)NCCC#N)CCCCN1C(=O)[O-]	ZINC000833822441	605863739	/nfs/dbraw/zinc/86/37/39/605863739.db2.gz	QSMOEQNZFGJMGN-CYBMUJFWSA-N	-1	0	297.311	0.482	20	30		CCEDRM
N#Cc1ccc(C(=O)N[C@H](CNC(=O)[O-])C2CC2)[nH]1	ZINC000833972371	605870514	/nfs/dbraw/zinc/87/05/14/605870514.db2.gz	BYJRPCMDYRRRGX-SNVBAGLBSA-N	-1	0	262.269	0.662	20	30		CCEDRM
Cc1nc(NC(=O)[O-])sc1C(=O)OCC(=O)NCC#N	ZINC000833914364	605952753	/nfs/dbraw/zinc/95/27/53/605952753.db2.gz	NSAQSHWAKYRUII-UHFFFAOYSA-N	-1	0	298.280	0.338	20	30		CCEDRM
N#CCCn1ccc(NC(=O)CN(C(=O)[O-])C2CC2)n1	ZINC000833965843	605967824	/nfs/dbraw/zinc/96/78/24/605967824.db2.gz	UNROUHMWNSMXTE-UHFFFAOYSA-N	-1	0	277.284	0.878	20	30		CCEDRM
N#C[C@H](OC(=O)[C@@H](CC(N)=O)NC(=O)[O-])C1CCCCC1	ZINC000833961626	606019377	/nfs/dbraw/zinc/01/93/77/606019377.db2.gz	SEHSHLBUWRWNIT-ZJUUUORDSA-N	-1	0	297.311	0.514	20	30		CCEDRM
N#CC1(NC(=O)CC2CN(C(=O)[O-])C2)CCSCC1	ZINC000833963904	606073187	/nfs/dbraw/zinc/07/31/87/606073187.db2.gz	WCXVYWKAWMCDQY-UHFFFAOYSA-N	-1	0	283.353	0.892	20	30		CCEDRM
N#Cc1cc(C(=O)N2CCC[C@H](NC(=O)[O-])C2)c[nH]1	ZINC000833970020	606089584	/nfs/dbraw/zinc/08/95/84/606089584.db2.gz	HUSILUIZJCAGSF-VIFPVBQESA-N	-1	0	262.269	0.759	20	30		CCEDRM
C#CCCS(=O)(=O)[N-]C(=O)CCC1CCOCC1	ZINC000810779155	613052808	/nfs/dbraw/zinc/05/28/08/613052808.db2.gz	AUHPKCWBZJBQNN-UHFFFAOYSA-N	-1	0	273.354	0.663	20	30		CCEDRM
C#CCCS(=O)(=O)[N-]C(=O)CCC(=O)c1ccccn1	ZINC000810782361	613052831	/nfs/dbraw/zinc/05/28/31/613052831.db2.gz	NVGTZMNAIYTRDC-UHFFFAOYSA-N	-1	0	294.332	0.514	20	30		CCEDRM
C#CCCS(=O)(=O)[N-]C(=O)CC[C@@H]1CCCO1	ZINC000810784182	613052685	/nfs/dbraw/zinc/05/26/85/613052685.db2.gz	VMBBABAUWFAIMG-JTQLQIEISA-N	-1	0	259.327	0.415	20	30		CCEDRM
C#CCCS(=O)(=O)[N-]C(=O)CC(C)(C)C(=O)OCC	ZINC000810782368	613052707	/nfs/dbraw/zinc/05/27/07/613052707.db2.gz	NZFFLMOOWOKDHM-UHFFFAOYSA-N	-1	0	289.353	0.435	20	30		CCEDRM
C#CCCS(=O)(=O)[N-]C(=O)[C@H](C)OCC(C)C	ZINC000810784707	613053231	/nfs/dbraw/zinc/05/32/31/613053231.db2.gz	MRSFKKCSKRTKFA-JTQLQIEISA-N	-1	0	261.343	0.517	20	30		CCEDRM
C#CC[C@H](NC(=O)[C@H](OC)C1CCCC1)C(=O)[O-]	ZINC000910046340	613069454	/nfs/dbraw/zinc/06/94/54/613069454.db2.gz	MUQDEOMMYOBALT-WDEREUQCSA-N	-1	0	253.298	0.784	20	30		CCEDRM
Cc1nc(-c2nnn[n-]2)c(N=NCC[C@@H]2CCOC2)o1	ZINC000826323296	608228708	/nfs/dbraw/zinc/22/87/08/608228708.db2.gz	YVFMJIRBNFWDCW-MRVPVSSYSA-N	-1	0	277.288	0.987	20	30		CCEDRM
C#CCN(CC#C)Cc1noc(CCCC(=O)[O-])n1	ZINC000825609258	613099080	/nfs/dbraw/zinc/09/90/80/613099080.db2.gz	ZEFIGMVSLMFUDM-UHFFFAOYSA-N	-1	0	261.281	0.545	20	30		CCEDRM
C#CCN(CC(=O)[O-])S(=O)(=O)CC1(C#N)CCCCC1	ZINC000849219100	613103468	/nfs/dbraw/zinc/10/34/68/613103468.db2.gz	GYCYLHWILISDQK-UHFFFAOYSA-N	-1	0	298.364	0.810	20	30		CCEDRM
CC#CCN(C)S(=O)(=O)c1c[nH]c(C(=O)[O-])c1	ZINC000871969635	613524673	/nfs/dbraw/zinc/52/46/73/613524673.db2.gz	OEHDEHWWMPMKPV-UHFFFAOYSA-N	-1	0	256.283	0.357	20	30		CCEDRM
CC(C)(NS(=O)(=O)c1ccc(F)cc1C#N)C(=O)[O-]	ZINC000833460615	614171053	/nfs/dbraw/zinc/17/10/53/614171053.db2.gz	IDYKOUKAUIXEOF-UHFFFAOYSA-N	-1	0	286.284	0.839	20	30		CCEDRM
C#CCOCCC(=O)N1CCCCC[C@H]1C(=O)[O-]	ZINC000833364840	612977705	/nfs/dbraw/zinc/97/77/05/612977705.db2.gz	XYXASNAHHCOHIV-NSHDSACASA-N	-1	0	253.298	0.882	20	30		CCEDRM
CSCCC(=O)[N-]S(=O)(=O)c1cncc(C#N)c1	ZINC000813981308	617232331	/nfs/dbraw/zinc/23/23/31/617232331.db2.gz	YKLLHOORIAUTHO-UHFFFAOYSA-N	-1	0	285.350	0.511	20	30		CCEDRM
COc1ccc(C=NN(C)[C@@H](C)CO)c(OCC(=O)[O-])c1	ZINC000842540400	617238152	/nfs/dbraw/zinc/23/81/52/617238152.db2.gz	KQFKQLFXBPXKLX-JTQLQIEISA-N	-1	0	296.323	0.805	20	30		CCEDRM
COc1ccc(C=Nn2c(=O)[n-][nH]c2=O)c(OC)c1	ZINC000814232859	617238472	/nfs/dbraw/zinc/23/84/72/617238472.db2.gz	OTVZRZUBBCLNPM-UHFFFAOYSA-N	-1	0	264.241	0.589	20	30		CCEDRM
CSCCNC(=S)NN=Cc1ccc(C(=O)[O-])nc1	ZINC000901207320	617236906	/nfs/dbraw/zinc/23/69/06/617236906.db2.gz	JEFDCWLWIHJQAQ-UHFFFAOYSA-N	-1	0	298.393	0.941	20	30		CCEDRM
COc1ccc(O)c(C=Nn2c(=O)[n-][nH]c2=O)c1	ZINC000814231835	617272309	/nfs/dbraw/zinc/27/23/09/617272309.db2.gz	PCVCMAQQSPGGHZ-UHFFFAOYSA-N	-1	0	250.214	0.286	20	30		CCEDRM
COc1cccc(NC(=O)CN(CC#N)CC(=O)[O-])c1	ZINC000832563241	617303494	/nfs/dbraw/zinc/30/34/94/617303494.db2.gz	WUUDKXJHQGVOAX-UHFFFAOYSA-N	-1	0	277.280	0.544	20	30		CCEDRM
C#CCCCCNC(=O)C(=O)N1CC[C@@H](C)[C@@H](C(=O)[O-])C1	ZINC000843257191	612977073	/nfs/dbraw/zinc/97/70/73/612977073.db2.gz	MALFRUKLBLWHJY-NEPJUHHUSA-N	-1	0	294.351	0.475	20	30		CCEDRM
C#CCOCCC(=O)N(CCC(=O)[O-])C[C@H]1CCCO1	ZINC000833364490	612977422	/nfs/dbraw/zinc/97/74/22/612977422.db2.gz	SFUGRDWIVIEFOF-GFCCVEGCSA-N	-1	0	283.324	0.509	20	30		CCEDRM
C#CCOCCC(=O)N(CCC(=O)[O-])Cc1ccncc1	ZINC000833364345	612977439	/nfs/dbraw/zinc/97/74/39/612977439.db2.gz	OWFRDHQGVBMIAW-UHFFFAOYSA-N	-1	0	290.319	0.925	20	30		CCEDRM
C#CCCCCNC(=O)N1CCO[C@H]([C@@H](C)NC(=O)[O-])C1	ZINC000823440878	612977630	/nfs/dbraw/zinc/97/76/30/612977630.db2.gz	LNULEJRHLVHCIC-NEPJUHHUSA-N	-1	0	297.355	0.856	20	30		CCEDRM
C#CCCCNC(=O)N1CCC[C@H](NC(=O)[O-])C1	ZINC000823443992	612981516	/nfs/dbraw/zinc/98/15/16/612981516.db2.gz	AGURAYSSJBYLGW-JTQLQIEISA-N	-1	0	253.302	0.841	20	30		CCEDRM
C#CCCCS(=O)(=O)N1CCC[C@H](c2n[nH]c(=O)[n-]2)C1	ZINC000815045655	612983560	/nfs/dbraw/zinc/98/35/60/612983560.db2.gz	AHBWLEKWKWCMJY-JTQLQIEISA-N	-1	0	298.368	0.433	20	30		CCEDRM
C#CCCCS(=O)(=O)[N-]c1n[nH]c(C)c1C#N	ZINC000820802129	612985420	/nfs/dbraw/zinc/98/54/20/612985420.db2.gz	BSHLAGPHYWTBKO-UHFFFAOYSA-N	-1	0	252.299	0.745	20	30		CCEDRM
C#CCOCCNC(=O)N[C@H]1CCCN(C(=O)[O-])C1	ZINC000833366277	612987990	/nfs/dbraw/zinc/98/79/90/612987990.db2.gz	PJSYOLQPHPRYPH-JTQLQIEISA-N	-1	0	269.301	0.078	20	30		CCEDRM
C#CCOCCOC(=O)[C@@H](CC(C)C)NC(=O)[O-]	ZINC000825625594	612990623	/nfs/dbraw/zinc/99/06/23/612990623.db2.gz	IUYLSGRXLUWVJO-SNVBAGLBSA-N	-1	0	257.286	0.862	20	30		CCEDRM
C#CCO[N-]C(=O)[C@@](C)(OC)C(=O)OC(C)(C)C	ZINC000855606772	612992689	/nfs/dbraw/zinc/99/26/89/612992689.db2.gz	OYAZKOFKAAXJSM-GFCCVEGCSA-N	-1	0	257.286	0.414	20	30		CCEDRM
C#CCO[N-]C(=O)[C@@H]1CSCN1C(=O)C(C)(C)C	ZINC000855603030	612992695	/nfs/dbraw/zinc/99/26/95/612992695.db2.gz	JPHVCTKHSNURAP-VIFPVBQESA-N	-1	0	270.354	0.615	20	30		CCEDRM
C#CCO[N-]C(=O)c1ccc(=O)n(-c2ccc(F)cc2)n1	ZINC000812783284	612993148	/nfs/dbraw/zinc/99/31/48/612993148.db2.gz	HXVOEBLBRMBGMR-UHFFFAOYSA-N	-1	0	287.250	0.666	20	30		CCEDRM
C#CCO[C@@H](C)C(=O)N1CCC[C@H](c2n[nH]c(=O)[n-]2)C1	ZINC000843876879	612994551	/nfs/dbraw/zinc/99/45/51/612994551.db2.gz	ASCMJCBHOFEXDP-UWVGGRQHSA-N	-1	0	278.312	0.255	20	30		CCEDRM
C#CCO[C@@H](C)C(=O)[N-]S(=O)(=O)c1cccs1	ZINC000835028268	612996933	/nfs/dbraw/zinc/99/69/33/612996933.db2.gz	KXUCHSFKOKVGIC-QMMMGPOBSA-N	-1	0	273.335	0.591	20	30		CCEDRM
C#CCO[C@@H](C)C(=O)[N-]S(=O)(=O)c1ccccc1C	ZINC000835028583	612997059	/nfs/dbraw/zinc/99/70/59/612997059.db2.gz	MYAZBCGLDSFFAI-NSHDSACASA-N	-1	0	281.333	0.838	20	30		CCEDRM
C#CCO[C@H](C)C(=O)[N-]S(=O)(=O)c1ccc(F)cn1	ZINC000836044088	613002076	/nfs/dbraw/zinc/00/20/76/613002076.db2.gz	OVDMGMZWOSTFMS-MRVPVSSYSA-N	-1	0	286.284	0.064	20	30		CCEDRM
C#CCO[C@H](C)C(=O)[N-]S(=O)(=O)c1cccc(C)c1	ZINC000835034115	613002143	/nfs/dbraw/zinc/00/21/43/613002143.db2.gz	XWRMVUDOSMULNG-LLVKDONJSA-N	-1	0	281.333	0.838	20	30		CCEDRM
C#CCO[C@H](C)C(=O)N[C@@H](CCSC)c1nnn[n-]1	ZINC000912863328	613002404	/nfs/dbraw/zinc/00/24/04/613002404.db2.gz	UDJZUCCLCKDNKY-BDAKNGLRSA-N	-1	0	283.357	0.148	20	30		CCEDRM
C#CCO[C@H](C)C(=O)N[C@@H](Cc1ccc(F)cc1)C(=O)[O-]	ZINC000910922780	613002410	/nfs/dbraw/zinc/00/24/10/613002410.db2.gz	PCQACOGEMMTMDL-MFKMUULPSA-N	-1	0	293.294	0.976	20	30		CCEDRM
C#CCO[C@H](C)C(=O)N[C@@](C)(CC(=O)[O-])c1ccncc1	ZINC000911622407	613003075	/nfs/dbraw/zinc/00/30/75/613003075.db2.gz	BQRWUADDPYUKPD-ABAIWWIYSA-N	-1	0	290.319	0.926	20	30		CCEDRM
C#CC[C@@H](CO)NC(=O)Cc1ccc(C(=O)[O-])cc1	ZINC000911396095	613024287	/nfs/dbraw/zinc/02/42/87/613024287.db2.gz	XGFOQEGRAOJYHQ-LBPRGKRZSA-N	-1	0	261.277	0.428	20	30		CCEDRM
C#CC[C@@H](CO)NS(=O)(=O)c1cc([O-])cc(F)c1	ZINC000882339866	613030820	/nfs/dbraw/zinc/03/08/20/613030820.db2.gz	JVANBQYDDHKZJP-VIFPVBQESA-N	-1	0	273.285	0.194	20	30		CCEDRM
C#CC[C@@H](NC(=O)C(C)(C)n1cnc(C)c1)C(=O)[O-]	ZINC000910050369	613039414	/nfs/dbraw/zinc/03/94/14/613039414.db2.gz	ITWSLTUQBULEJT-SNVBAGLBSA-N	-1	0	263.297	0.519	20	30		CCEDRM
C#CC[C@@H](NC(=O)C1(c2cc(C)no2)CC1)C(=O)[O-]	ZINC000910051716	613039511	/nfs/dbraw/zinc/03/95/11/613039511.db2.gz	ZDIIRBNAYOGGDL-SECBINFHSA-N	-1	0	262.265	0.607	20	30		CCEDRM
C#CC[C@@H](NC(=O)C1(COC)CCOCC1)C(=O)[O-]	ZINC000910051435	613039582	/nfs/dbraw/zinc/03/95/82/613039582.db2.gz	VFVSGLVZHNCKEY-SNVBAGLBSA-N	-1	0	269.297	0.022	20	30		CCEDRM
C#CC[C@@H](NC(=O)Cc1ccc(OC)cn1)C(=O)[O-]	ZINC000910051017	613040228	/nfs/dbraw/zinc/04/02/28/613040228.db2.gz	QBOFPWIOVYQFSD-LLVKDONJSA-N	-1	0	262.265	0.225	20	30		CCEDRM
C#CC[C@@H](NC(=O)[C@@H](C)c1c(C)noc1C)C(=O)[O-]	ZINC000910054963	613040450	/nfs/dbraw/zinc/04/04/50/613040450.db2.gz	VCGJVVZHANALGU-OIBJUYFYSA-N	-1	0	264.281	0.988	20	30		CCEDRM
C#CC[C@@H](NC(=O)[C@@]1(c2ccccc2)C[C@@H](O)C1)C(=O)[O-]	ZINC000910050553	613041036	/nfs/dbraw/zinc/04/10/36/613041036.db2.gz	KTHWOCZCSOGTPU-IOASZLSFSA-N	-1	0	287.315	0.672	20	30		CCEDRM
C#CC[C@@H](NC(=O)c1cc2c([nH]c1=O)CCCC2)C(=O)[O-]	ZINC000910055072	613041853	/nfs/dbraw/zinc/04/18/53/613041853.db2.gz	XACFFPVGBYZCKN-GFCCVEGCSA-N	-1	0	288.303	0.872	20	30		CCEDRM
C#CCCNC(=O)C(=O)Nc1ccccc1C(=O)[O-]	ZINC000819700892	613046784	/nfs/dbraw/zinc/04/67/84/613046784.db2.gz	NPJYFIDEYFAXSU-UHFFFAOYSA-N	-1	0	260.249	0.463	20	30		CCEDRM
C#CCCNC(=O)N1CC[C@@H]([C@H](C)NC(=O)[O-])C1	ZINC000833787584	613047078	/nfs/dbraw/zinc/04/70/78/613047078.db2.gz	UTZRIEDTJXYKDQ-VHSXEESVSA-N	-1	0	253.302	0.697	20	30		CCEDRM
C#CCCS(=O)(=O)[N-]C(=O)[C@@H](NC(C)=O)[C@@H](C)CC	ZINC000810780118	613053262	/nfs/dbraw/zinc/05/32/62/613053262.db2.gz	OLDXXHCIWRWYQO-ONGXEEELSA-N	-1	0	288.369	0.007	20	30		CCEDRM
C#CCCS(=O)(=O)[N-]C(=O)c1cccc(F)c1	ZINC000791111734	613053576	/nfs/dbraw/zinc/05/35/76/613053576.db2.gz	WVEJKQWPOKRSPI-UHFFFAOYSA-N	-1	0	255.270	0.909	20	30		CCEDRM
C#CCCS(=O)(=O)[N-]C(=O)c1cnn2ccccc12	ZINC000810781027	613053720	/nfs/dbraw/zinc/05/37/20/613053720.db2.gz	BMGPHACTZFVOQU-UHFFFAOYSA-N	-1	0	277.305	0.417	20	30		CCEDRM
C#CCCS(=O)(=O)[N-]C(=O)c1cccnc1OCC	ZINC000810780986	613053726	/nfs/dbraw/zinc/05/37/26/613053726.db2.gz	ZBWSMGHETMELLB-UHFFFAOYSA-N	-1	0	282.321	0.563	20	30		CCEDRM
C#CCCS(=O)(=O)[N-]C(=O)c1ccn(C(C)(C)C)n1	ZINC000847698838	613053876	/nfs/dbraw/zinc/05/38/76/613053876.db2.gz	IIYIZYULYVEUOU-UHFFFAOYSA-N	-1	0	283.353	0.721	20	30		CCEDRM
C#CC[C@H](CO)NC(=O)c1ccccc1[N-]S(C)(=O)=O	ZINC000820065278	613057938	/nfs/dbraw/zinc/05/79/38/613057938.db2.gz	XSIKEVUGQAKTJH-SNVBAGLBSA-N	-1	0	296.348	0.172	20	30		CCEDRM
C#CC[C@H](NC(=O)CNC(=O)CC(C)(C)C)C(=O)[O-]	ZINC000910052804	613067848	/nfs/dbraw/zinc/06/78/48/613067848.db2.gz	JDEBWCZEMVOOIT-VIFPVBQESA-N	-1	0	268.313	0.132	20	30		CCEDRM
C#CC[C@H](NC(=O)Cc1[nH]nc2c1CCCC2)C(=O)[O-]	ZINC000910049601	613068292	/nfs/dbraw/zinc/06/82/92/613068292.db2.gz	YKRHKQRZJNXBSE-NSHDSACASA-N	-1	0	275.308	0.424	20	30		CCEDRM
C#CC[C@H](NC(=O)[C@H]1CCC(=O)c2cccn21)C(=O)[O-]	ZINC000910050155	613069415	/nfs/dbraw/zinc/06/94/15/613069415.db2.gz	GMQNSDZMEQTVON-GXSJLCMTSA-N	-1	0	274.276	0.598	20	30		CCEDRM
C#CC[C@H](NC(=O)c1cc(C(C)(C)C)nn1C)C(=O)[O-]	ZINC000910053588	613069912	/nfs/dbraw/zinc/06/99/12/613069912.db2.gz	VRHZKNHTVXDBEB-VIFPVBQESA-N	-1	0	277.324	0.924	20	30		CCEDRM
C#CC[C@H](NC(=O)c1ccc(OC(F)F)nc1)C(=O)[O-]	ZINC000923090562	613070153	/nfs/dbraw/zinc/07/01/53/613070153.db2.gz	SBMWFVREKDKOGB-QMMMGPOBSA-N	-1	0	284.218	0.889	20	30		CCEDRM
C#CC[C@H](NC(=O)c1ccnn1CC1CCC1)C(=O)[O-]	ZINC000910049526	613070370	/nfs/dbraw/zinc/07/03/70/613070370.db2.gz	WLUPQILHRATBLA-NSHDSACASA-N	-1	0	275.308	0.890	20	30		CCEDRM
C#CCN(C)S(=O)(=O)c1cc(C)cc(C(=O)[O-])c1O	ZINC000906947122	613079510	/nfs/dbraw/zinc/07/95/10/613079510.db2.gz	GVOZMUVQBUVBEJ-UHFFFAOYSA-N	-1	0	283.305	0.653	20	30		CCEDRM
C#C[C@@H](C)N(C)S(=O)(=O)c1ccc(OCC(=O)[O-])cc1	ZINC000906957649	613079665	/nfs/dbraw/zinc/07/96/65/613079665.db2.gz	RAINIHQAXPVVOB-SNVBAGLBSA-N	-1	0	297.332	0.792	20	30		CCEDRM
C#C[C@@H](C)NS(=O)(=O)N=[S@](C)(=O)c1ccccc1	ZINC000867198210	613082347	/nfs/dbraw/zinc/08/23/47/613082347.db2.gz	HHFDKSKPEHEGKS-BMLIUANNSA-N	-1	0	286.378	0.999	20	30		CCEDRM
C#C[C@@H](NC(=O)[C@H]1CC[C@H]1C(=O)[O-])[C@@H]1CCCO1	ZINC000911581212	613098535	/nfs/dbraw/zinc/09/85/35/613098535.db2.gz	WMUOVFDOIYSNHZ-ZDCRXTMVSA-N	-1	0	251.282	0.394	20	30		CCEDRM
C#C[C@@H]1CCCCN1C(=O)CCCn1c(=O)[n-][nH]c1=O	ZINC000890657768	613101249	/nfs/dbraw/zinc/10/12/49/613101249.db2.gz	XCYLKLMKTLWVCC-SNVBAGLBSA-N	-1	0	278.312	0.484	20	30		CCEDRM
C#CCN(CC(=O)[O-])S(=O)(=O)[C@H](C)C(F)(F)F	ZINC000849219264	613103642	/nfs/dbraw/zinc/10/36/42/613103642.db2.gz	OIYAGLFBEBLRQL-ZCFIWIBFSA-N	-1	0	273.232	0.287	20	30		CCEDRM
C#CCN(CC(=O)[O-])S(=O)(=O)c1cccc(N(C)C)c1	ZINC000849218935	613103833	/nfs/dbraw/zinc/10/38/33/613103833.db2.gz	CFJBPVFDFAYJOQ-UHFFFAOYSA-N	-1	0	296.348	0.461	20	30		CCEDRM
C#CCN(CC)C(=O)C(=O)Nc1ccc(C(=O)[O-])c(F)c1	ZINC000825614286	613105177	/nfs/dbraw/zinc/10/51/77/613105177.db2.gz	KRXAHVHVULDQBB-UHFFFAOYSA-N	-1	0	292.266	0.944	20	30		CCEDRM
C#CCN(CC)C(=O)C(=O)Nc1ccsc1C(=O)[O-]	ZINC000833364951	613105316	/nfs/dbraw/zinc/10/53/16/613105316.db2.gz	VVQCZNSUEMIIDT-UHFFFAOYSA-N	-1	0	280.305	0.867	20	30		CCEDRM
C#CCN(CC)CC(=O)N[C@H](C(=O)[O-])[C@@H](C)CC	ZINC000825614784	613106785	/nfs/dbraw/zinc/10/67/85/613106785.db2.gz	XXBYCDNIMANHOC-JQWIXIFHSA-N	-1	0	254.330	0.557	20	30		CCEDRM
C#C[C@H](C)N(C)S(=O)(=O)c1ccc(O)c(C(=O)[O-])c1	ZINC000906956190	613114481	/nfs/dbraw/zinc/11/44/81/613114481.db2.gz	FHIHLPAQNUHQHZ-QMMMGPOBSA-N	-1	0	283.305	0.733	20	30		CCEDRM
C#C[C@H](C)NS(=O)(=O)c1cc(C(=O)[O-])oc1C	ZINC000122983710	613118934	/nfs/dbraw/zinc/11/89/34/613118934.db2.gz	DLQGHJCELDJGHY-LURJTMIESA-N	-1	0	257.267	0.586	20	30		CCEDRM
C#C[C@H](C)NS(=O)(=O)N=[S@](C)(=O)c1ccccc1	ZINC000867198213	613119035	/nfs/dbraw/zinc/11/90/35/613119035.db2.gz	HHFDKSKPEHEGKS-DYZYQPBXSA-N	-1	0	286.378	0.999	20	30		CCEDRM
C#C[C@H](CO)NC(=O)c1ccccc1S[C@@H](C)C(=O)[O-]	ZINC000911612131	613129874	/nfs/dbraw/zinc/12/98/74/613129874.db2.gz	RPJFWPIDGYPBFJ-VHSXEESVSA-N	-1	0	293.344	0.976	20	30		CCEDRM
C#C[C@H]1CCCN(C(=O)Cn2ccc(C(=O)[O-])n2)C1	ZINC000911407226	613157134	/nfs/dbraw/zinc/15/71/34/613157134.db2.gz	ITPLRKYUOHKBSK-JTQLQIEISA-N	-1	0	261.281	0.453	20	30		CCEDRM
C#Cc1ccc(NC(=O)N2C[C@H](O)C[C@H]2C(=O)[O-])cc1	ZINC000900355269	613195496	/nfs/dbraw/zinc/19/54/96/613195496.db2.gz	JWLONOGLVZDJSQ-NEPJUHHUSA-N	-1	0	274.276	0.720	20	30		CCEDRM
C#Cc1cccc(CNC(=O)C(=O)[N-]OCCSC)c1	ZINC000817842727	613199512	/nfs/dbraw/zinc/19/95/12/613199512.db2.gz	BLNTWEMBBOXLEH-UHFFFAOYSA-N	-1	0	292.360	0.695	20	30		CCEDRM
C#CCN1CCC[C@H]1COC(=O)CSCC(=O)[O-]	ZINC000819700727	613203475	/nfs/dbraw/zinc/20/34/75/613203475.db2.gz	GFXWMBXZQULYMH-JTQLQIEISA-N	-1	0	271.338	0.445	20	30		CCEDRM
C#Cc1ccccc1CC(=O)N1CCOC[C@@H]1c1nnn[n-]1	ZINC000913498297	613205409	/nfs/dbraw/zinc/20/54/09/613205409.db2.gz	NZYFLOXVJGIMFK-CYBMUJFWSA-N	-1	0	297.318	0.324	20	30		CCEDRM
C#CCN1CCN(C(=O)CSC[C@@H](C)C(=O)[O-])CC1	ZINC000825620112	613205700	/nfs/dbraw/zinc/20/57/00/613205700.db2.gz	WIFDISVBMWNAAB-LLVKDONJSA-N	-1	0	284.381	0.218	20	30		CCEDRM
C#Cc1ccccc1CC(=O)[N-]S(=O)(=O)CC#CC	ZINC000810770782	613206819	/nfs/dbraw/zinc/20/68/19/613206819.db2.gz	RFCJFSRSPMHERY-UHFFFAOYSA-N	-1	0	275.329	0.680	20	30		CCEDRM
C#Cc1ccccc1CC(=O)[N-]S(=O)(=O)CC(F)F	ZINC000851363103	613206910	/nfs/dbraw/zinc/20/69/10/613206910.db2.gz	BWTGXCNGYDIPIU-UHFFFAOYSA-N	-1	0	287.287	0.922	20	30		CCEDRM
C#Cc1cncc(C(=O)N2CCC[C@@H](O)[C@@H]2C(=O)[O-])c1	ZINC000911631801	613212719	/nfs/dbraw/zinc/21/27/19/613212719.db2.gz	SALYVGNFHSCALN-VXGBXAGGSA-N	-1	0	274.276	0.113	20	30		CCEDRM
C#Cc1cncc(C(=O)N[C@]2(C(=O)[O-])CCSC2)c1	ZINC000909351038	613222775	/nfs/dbraw/zinc/22/27/75/613222775.db2.gz	HQMAOGQWXTYFPW-CYBMUJFWSA-N	-1	0	276.317	0.753	20	30		CCEDRM
C=C(Br)CNC(=O)c1ccc(-c2nn[nH]n2)[nH]1	ZINC000823874110	613238244	/nfs/dbraw/zinc/23/82/44/613238244.db2.gz	SRARCQYZEOUSKV-UHFFFAOYSA-N	-1	0	297.116	0.833	20	30		CCEDRM
C=C(C)C(C)(C)C(=O)N[C@H](C)C(=O)N[C@H](C)C(=O)[O-]	ZINC000910745290	613244393	/nfs/dbraw/zinc/24/43/93/613244393.db2.gz	HRWSEVSUMXIZKL-RKDXNWHRSA-N	-1	0	270.329	0.683	20	30		CCEDRM
C=C(C)C(C)(C)C(=O)[N-]S(=O)(=O)CCOCCOC	ZINC000820318854	613244758	/nfs/dbraw/zinc/24/47/58/613244758.db2.gz	GHZIPYHZBOGFPK-UHFFFAOYSA-N	-1	0	293.385	0.698	20	30		CCEDRM
C=C(C)COCCNC(=O)[C@@H]1CN(C(=O)[O-])CCO1	ZINC000823480390	613352141	/nfs/dbraw/zinc/35/21/41/613352141.db2.gz	ARCZUKNETWVXHX-JTQLQIEISA-N	-1	0	272.301	0.074	20	30		CCEDRM
C=C(C)CO[N-]C(=O)C(=O)Nc1ccn(CCF)n1	ZINC000873934817	613352400	/nfs/dbraw/zinc/35/24/00/613352400.db2.gz	SUSHJNUGWWVLRS-UHFFFAOYSA-N	-1	0	270.264	0.415	20	30		CCEDRM
C=C(C)CO[N-]C(=O)C(=O)c1c(C)nn(C)c1C	ZINC000846537480	613352424	/nfs/dbraw/zinc/35/24/24/613352424.db2.gz	KKEQWSORJMKMES-UHFFFAOYSA-N	-1	0	251.286	0.844	20	30		CCEDRM
C=C(C)CO[N-]C(=O)CN(C)S(=O)(=O)c1cccnc1	ZINC000846537172	613352488	/nfs/dbraw/zinc/35/24/88/613352488.db2.gz	CNRBVXLPCPKRPQ-UHFFFAOYSA-N	-1	0	299.352	0.326	20	30		CCEDRM
C=C(C)CS(=O)(=O)N1C[C@@H](C)[C@H](CC(=O)[O-])C1	ZINC000903051762	613354148	/nfs/dbraw/zinc/35/41/48/613354148.db2.gz	WQLARJMRSUETEO-NXEZZACHSA-N	-1	0	261.343	0.935	20	30		CCEDRM
C=C(C)C[C@@H](C)C(=O)[N-]S(=O)(=O)CC(=O)OC	ZINC000838803108	613354315	/nfs/dbraw/zinc/35/43/15/613354315.db2.gz	XBNCKHGRJJNUNN-MRVPVSSYSA-N	-1	0	263.315	0.208	20	30		CCEDRM
C=C(C)C[C@@H](NC(=O)C1C[C@@H]2COC[C@H](C1)C2=O)C(=O)[O-]	ZINC000910293165	613355779	/nfs/dbraw/zinc/35/57/79/613355779.db2.gz	UZTDDLJKKTXPLN-FGNRJIRKSA-N	-1	0	295.335	0.764	20	30		CCEDRM
C=C(C)C[C@@H](NC(=O)c1cnc(C)n1C)C(=O)[O-]	ZINC000910292118	613356278	/nfs/dbraw/zinc/35/62/78/613356278.db2.gz	CVCDNLVHQOCRNK-SECBINFHSA-N	-1	0	251.286	0.878	20	30		CCEDRM
C=C(C)C[C@@H](NS(=O)(=O)c1ccc(C)nn1)C(=O)OC	ZINC000867623512	613356923	/nfs/dbraw/zinc/35/69/23/613356923.db2.gz	GUFRKGJARVXNOM-SNVBAGLBSA-N	-1	0	299.352	0.571	20	30		CCEDRM
C=C(C)C[C@H](NC(=O)[C@H](O)c1cccnc1)C(=O)[O-]	ZINC000910286686	613359098	/nfs/dbraw/zinc/35/90/98/613359098.db2.gz	KSVLUDTVKFQKJB-WDEREUQCSA-N	-1	0	264.281	0.651	20	30		CCEDRM
C=C(C)C[C@H](NC(C)=O)C(=O)[N-]S(=O)(=O)CCCF	ZINC000850870941	613359478	/nfs/dbraw/zinc/35/94/78/613359478.db2.gz	KZAPYIGMNXIKIJ-JTQLQIEISA-N	-1	0	294.348	0.263	20	30		CCEDRM
C=C(C)[C@@H](CC(=O)N[C@@H]1CCN(O)C1=O)OCC	ZINC000820148520	613360224	/nfs/dbraw/zinc/36/02/24/613360224.db2.gz	HYJLHNHXHJMCOE-NXEZZACHSA-N	-1	0	256.302	0.464	20	30		CCEDRM
C=C(C)[C@@H](CC(=O)N1CCOC[C@H]1c1nnn[n-]1)OCC	ZINC000913495971	613360258	/nfs/dbraw/zinc/36/02/58/613360258.db2.gz	QGQHCIJXYCIQAA-WDEREUQCSA-N	-1	0	295.343	0.471	20	30		CCEDRM
C=C(C)[C@@H]1OCC[C@@H]1C(=O)NCCOCC(=O)[O-]	ZINC000902296368	613361336	/nfs/dbraw/zinc/36/13/36/613361336.db2.gz	JMCIGAFQBJQIIH-ONGXEEELSA-N	-1	0	257.286	0.185	20	30		CCEDRM
C=C(C)[C@@H]1OCC[C@@H]1C(=O)NC[C@@]1(C(=O)[O-])CCCOC1	ZINC000910306881	613361370	/nfs/dbraw/zinc/36/13/70/613361370.db2.gz	KVVSQSDDIIASGR-HUBLWGQQSA-N	-1	0	297.351	0.965	20	30		CCEDRM
C=C(C)[C@H](CC(=O)N[C@@](C)(COC)C(=O)[O-])OCC	ZINC000833366814	613362254	/nfs/dbraw/zinc/36/22/54/613362254.db2.gz	DLJGXCRQMXPFCN-GWCFXTLKSA-N	-1	0	273.329	0.964	20	30		CCEDRM
C=C(C)[C@H](CC(=O)N[C@@]1(C(=O)[O-])CCOC1)OCC	ZINC000833368029	613362309	/nfs/dbraw/zinc/36/23/09/613362309.db2.gz	ZKJRLBOEZAYNFK-GWCFXTLKSA-N	-1	0	271.313	0.718	20	30		CCEDRM
C=C(C)[C@H]1OCC[C@H]1C(=O)N[C@@H](CSC)C(=O)[O-]	ZINC000910872181	613363027	/nfs/dbraw/zinc/36/30/27/613363027.db2.gz	ONTXNOCPEMFISF-KXUCPTDWSA-N	-1	0	273.354	0.900	20	30		CCEDRM
C=C(Cl)C[C@H](NC(=O)[C@@H](O)C1CCOCC1)C(=O)[O-]	ZINC000910267738	613390714	/nfs/dbraw/zinc/39/07/14/613390714.db2.gz	UKYMTMPFDKKAKP-UWVGGRQHSA-N	-1	0	291.731	0.486	20	30		CCEDRM
C=C(Cl)C[C@H](NC(=O)NC[C@H]1CCOC1)C(=O)[O-]	ZINC000864522909	613390729	/nfs/dbraw/zinc/39/07/29/613390729.db2.gz	FCMHUXWTDGMUES-BDAKNGLRSA-N	-1	0	276.720	0.918	20	30		CCEDRM
C=C(Cl)C[C@H](NC(=O)[C@H]1COCCO1)C(=O)[O-]	ZINC000864185616	613390757	/nfs/dbraw/zinc/39/07/57/613390757.db2.gz	XWJOHVWIFKXQCK-JGVFFNPUSA-N	-1	0	263.677	0.114	20	30		CCEDRM
C=C(Cl)C[C@H](NC(=O)c1ccc(=O)n(C)n1)C(=O)[O-]	ZINC000864181703	613390840	/nfs/dbraw/zinc/39/08/40/613390840.db2.gz	FOMBVXJXIUWIEF-QMMMGPOBSA-N	-1	0	285.687	0.106	20	30		CCEDRM
C=C(Cl)C[C@H](NS(=O)(=O)c1cnn(C)c1)C(=O)[O-]	ZINC000863422007	613390905	/nfs/dbraw/zinc/39/09/05/613390905.db2.gz	YLIZAYMYUUMMKA-QMMMGPOBSA-N	-1	0	293.732	0.294	20	30		CCEDRM
C=C(Cl)C[C@H](NS(=O)(=O)N(C)CCC)C(=O)[O-]	ZINC000863420340	613390933	/nfs/dbraw/zinc/39/09/33/613390933.db2.gz	MBHXUTYBMKGWIG-QMMMGPOBSA-N	-1	0	284.765	0.758	20	30		CCEDRM
C=C1CC(C)(C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)[O-])C1	ZINC000910283876	613395623	/nfs/dbraw/zinc/39/56/23/613395623.db2.gz	YFABEIUNOZGFRP-IUCAKERBSA-N	-1	0	268.313	0.437	20	30		CCEDRM
C=CCSCCNC(=O)[C@@H]1CN(C(=O)[O-])CCO1	ZINC000823516906	613395808	/nfs/dbraw/zinc/39/58/08/613395808.db2.gz	YBQVSCWKRCSPAX-VIFPVBQESA-N	-1	0	274.342	0.401	20	30		CCEDRM
C=CC[C@@H](CO)CNC(=O)N[C@@H]1CCCN(C(=O)[O-])C1	ZINC000833370110	613401654	/nfs/dbraw/zinc/40/16/54/613401654.db2.gz	IFJHVRGPTQUURL-GHMZBOCLSA-N	-1	0	285.344	0.613	20	30		CCEDRM
C=CC[C@@H]1CCN(C(=O)C(=O)NCCCCC(=O)[O-])C1	ZINC000861721706	613407787	/nfs/dbraw/zinc/40/77/87/613407787.db2.gz	ASRDVMLNZLQERY-LLVKDONJSA-N	-1	0	282.340	0.782	20	30		CCEDRM
C=C1CCC(C(=O)[N-]S(=O)(=O)c2cnn(C)c2)CC1	ZINC000892428235	613409545	/nfs/dbraw/zinc/40/95/45/613409545.db2.gz	VUFHQBJUNMOOAF-UHFFFAOYSA-N	-1	0	283.353	0.971	20	30		CCEDRM
C=CC[C@H](CO)CNS(=O)(=O)CC1(CC(=O)[O-])CC1	ZINC000833369803	613416213	/nfs/dbraw/zinc/41/62/13/613416213.db2.gz	FQHWAURKPKZDMU-JTQLQIEISA-N	-1	0	291.369	0.345	20	30		CCEDRM
C=CCn1c(SCC(=O)NCC(=O)[O-])nnc1C1CC1	ZINC000819720387	613424508	/nfs/dbraw/zinc/42/45/08/613424508.db2.gz	YDFNDOSFUDVGHT-UHFFFAOYSA-N	-1	0	296.352	0.634	20	30		CCEDRM
C=CCn1cc(C(=O)NCC(C)(C)CC(=O)[O-])nn1	ZINC000910830008	613428277	/nfs/dbraw/zinc/42/82/77/613428277.db2.gz	DTSFKEAATDPJIF-UHFFFAOYSA-N	-1	0	266.301	0.695	20	30		CCEDRM
C=CCn1cc(C(=O)N[C@H]2CC[C@@H](CC(=O)[O-])C2)nn1	ZINC000908373072	613431342	/nfs/dbraw/zinc/43/13/42/613431342.db2.gz	IQFFTDVEHCPMDW-ZJUUUORDSA-N	-1	0	278.312	0.837	20	30		CCEDRM
C=CCn1nnn(CN(C)[C@@H]2CCN(C(=O)[O-])C2)c1=S	ZINC000823522160	613439036	/nfs/dbraw/zinc/43/90/36/613439036.db2.gz	UQQCSXOGWGWFNA-SECBINFHSA-N	-1	0	298.372	0.637	20	30		CCEDRM
C=CCn1nnn(CN2CC[C@H](C(=O)[O-])C2)c1=S	ZINC000817690091	613439509	/nfs/dbraw/zinc/43/95/09/613439509.db2.gz	OAVDIAOCYOMIMG-QMMMGPOBSA-N	-1	0	269.330	0.359	20	30		CCEDRM
C=CC(C)(C)C(=O)N1CC[C@H](n2cc(C(=O)[O-])nn2)C1	ZINC000910099091	613440426	/nfs/dbraw/zinc/44/04/26/613440426.db2.gz	OJAUJHVSDYYZJI-VIFPVBQESA-N	-1	0	278.312	0.962	20	30		CCEDRM
C=C[C@@H](C)NC(=O)C(=O)Nc1cc(C(=O)[O-])n(C)c1	ZINC000833372427	613442379	/nfs/dbraw/zinc/44/23/79/613442379.db2.gz	TVKMHQCCGQWMQS-SSDOTTSWSA-N	-1	0	265.269	0.353	20	30		CCEDRM
C=C[C@@H](C)O[N-]C(=O)CNS(=O)(=O)c1ccc(C)cc1	ZINC000846541413	613443608	/nfs/dbraw/zinc/44/36/08/613443608.db2.gz	GYPYZTJJZUHKRF-LLVKDONJSA-N	-1	0	298.364	0.896	20	30		CCEDRM
C=C[C@@H](C)O[N-]C(=O)[C@H](NS(C)(=O)=O)C(C)(C)C	ZINC000846550914	613447289	/nfs/dbraw/zinc/44/72/89/613447289.db2.gz	ZQZMHQYJBGRUPI-BDAKNGLRSA-N	-1	0	278.374	0.573	20	30		CCEDRM
C=CC1(S(=O)(=O)[N-]C(=O)CCCOCC)CC1	ZINC000870832251	613450350	/nfs/dbraw/zinc/45/03/50/613450350.db2.gz	ZGXDKAMRSRQNND-UHFFFAOYSA-N	-1	0	261.343	0.968	20	30		CCEDRM
C=CC1(S(=O)(=O)[N-]C(=O)[C@@H](CCC)OC)CC1	ZINC000870837794	613450818	/nfs/dbraw/zinc/45/08/18/613450818.db2.gz	BUCSDIDMJSUWGK-SECBINFHSA-N	-1	0	261.343	0.966	20	30		CCEDRM
C=CC1(S(=O)(=O)[N-]C(=O)[C@]23C[C@H]2COC3(C)C)CC1	ZINC000870839351	613451849	/nfs/dbraw/zinc/45/18/49/613451849.db2.gz	ZVNWPAZQPNRMEF-ZANVPECISA-N	-1	0	285.365	0.966	20	30		CCEDRM
C=C[C@@H](O)C(=O)OCC(=O)[N-]OCc1ccccc1	ZINC000814551215	613453498	/nfs/dbraw/zinc/45/34/98/613453498.db2.gz	RAAYJIMWNDJBDQ-LLVKDONJSA-N	-1	0	265.265	0.325	20	30		CCEDRM
C=C[C@@H]1CCCCN1C(=O)NCC(=O)[N-]OCC	ZINC000845537945	613455808	/nfs/dbraw/zinc/45/58/08/613455808.db2.gz	JFLGNXYDQAWINI-SNVBAGLBSA-N	-1	0	255.318	0.804	20	30		CCEDRM
C=CCC1(S(=O)(=O)[N-]C(=O)C2CCOCC2)CC1	ZINC000810985690	613460562	/nfs/dbraw/zinc/46/05/62/613460562.db2.gz	QNDJMMOYSWVBGB-UHFFFAOYSA-N	-1	0	273.354	0.968	20	30		CCEDRM
C=CCC1(S(=O)(=O)[N-]C(=O)[C@@H](COC)OC)CC1	ZINC000851032509	613461313	/nfs/dbraw/zinc/46/13/13/613461313.db2.gz	RWKSAYSBHXOLNI-SECBINFHSA-N	-1	0	277.342	0.203	20	30		CCEDRM
C=CCCC(=O)[N-]S(=O)(=O)Cc1cnn(C)c1	ZINC000847847011	613462364	/nfs/dbraw/zinc/46/23/64/613462364.db2.gz	XKOJYRAAHADZFS-UHFFFAOYSA-N	-1	0	257.315	0.332	20	30		CCEDRM
C=CCCCS(=O)(=O)N[C@H]1CCO[C@@](C)(C(=O)[O-])C1	ZINC000906007516	613469803	/nfs/dbraw/zinc/46/98/03/613469803.db2.gz	AIPNWOVVKPWRQD-CMPLNLGQSA-N	-1	0	291.369	0.894	20	30		CCEDRM
C=CCCC[C@@H](NC(=O)c1cnnn1C)C(=O)[O-]	ZINC000910917762	613471549	/nfs/dbraw/zinc/47/15/49/613471549.db2.gz	VHEGMZMPLDRDCT-MRVPVSSYSA-N	-1	0	252.274	0.354	20	30		CCEDRM
C=CCCC[C@H](NC(=O)Cc1cn(CC)nn1)C(=O)[O-]	ZINC000907781963	613473183	/nfs/dbraw/zinc/47/31/83/613473183.db2.gz	UMLNRRTUCLLNQM-NSHDSACASA-N	-1	0	280.328	0.766	20	30		CCEDRM
C=CCCC[C@H](NC(=O)Cc1cnn(C)c1)C(=O)[O-]	ZINC000910921586	613473418	/nfs/dbraw/zinc/47/34/18/613473418.db2.gz	CMISMOJCYFTWDR-NSHDSACASA-N	-1	0	265.313	0.888	20	30		CCEDRM
C=C[C@@](C)(O)C(=O)N1CCSC[C@H](C(=O)[O-])C1	ZINC000910149976	613477865	/nfs/dbraw/zinc/47/78/65/613477865.db2.gz	OYKDXLXCUGDRQX-LDYMZIIASA-N	-1	0	259.327	0.200	20	30		CCEDRM
C=C[C@H](C)O[N-]C(=O)C(=O)Nc1cc(C2CC2)n(C)n1	ZINC000846157470	613483694	/nfs/dbraw/zinc/48/36/94/613483694.db2.gz	UXJFIROCYQXMCP-QMMMGPOBSA-N	-1	0	278.312	0.858	20	30		CCEDRM
C=C[C@H](C)O[N-]C(=O)C(=O)Nc1cc(C)nc(C)n1	ZINC000873934006	613483725	/nfs/dbraw/zinc/48/37/25/613483725.db2.gz	DUKGAEXOOHHNSH-QMMMGPOBSA-N	-1	0	264.285	0.654	20	30		CCEDRM
C=C[C@H](O)C(=O)N1CC[C@H](c2ncc(C(=O)[O-])s2)C1	ZINC000911044628	613494823	/nfs/dbraw/zinc/49/48/23/613494823.db2.gz	IXWRHUSYAADRAA-YUMQZZPRSA-N	-1	0	282.321	0.704	20	30		CCEDRM
C=C[C@H](O)C(=O)N1CCc2ccc(C(=O)[O-])cc2C1	ZINC000909454474	613494935	/nfs/dbraw/zinc/49/49/35/613494935.db2.gz	KGIWKFUTPBMJQT-LBPRGKRZSA-N	-1	0	261.277	0.816	20	30		CCEDRM
C=C[C@H](O)C(=O)NCCc1ncc(C(=O)[O-])s1	ZINC000910998997	613495963	/nfs/dbraw/zinc/49/59/63/613495963.db2.gz	AHNYOAVJLHLWMK-LURJTMIESA-N	-1	0	256.283	0.047	20	30		CCEDRM
C=C[C@](C)(CC)C(=O)NCCC(=O)[N-]S(C)(=O)=O	ZINC000800549657	613505093	/nfs/dbraw/zinc/50/50/93/613505093.db2.gz	PBLHQGMAONJUHP-LLVKDONJSA-N	-1	0	276.358	0.171	20	30		CCEDRM
C=C[C@](C)(O)C(=O)NCc1cc(C)c(C(=O)[O-])o1	ZINC000910301351	613507741	/nfs/dbraw/zinc/50/77/41/613507741.db2.gz	GKDIPAFSMGOAPK-LBPRGKRZSA-N	-1	0	253.254	0.839	20	30		CCEDRM
CC#CCCNC(=O)N[C@@]1(C(=O)[O-])CCSC1	ZINC000909032477	613522199	/nfs/dbraw/zinc/52/21/99/613522199.db2.gz	UWQHOWPLFGGEOL-NSHDSACASA-N	-1	0	256.327	0.659	20	30		CCEDRM
C=CCCOCC(=O)NCCn1cnc(C(=O)[O-])c1	ZINC000909911557	613572203	/nfs/dbraw/zinc/57/22/03/613572203.db2.gz	CGFHBGXMLRJFPH-UHFFFAOYSA-N	-1	0	267.285	0.290	20	30		CCEDRM
C=CCCO[N-]C(=O)[C@@H](CCC)S(N)(=O)=O	ZINC000856035586	613576659	/nfs/dbraw/zinc/57/66/59/613576659.db2.gz	DXGVNZPCOGPCOQ-MRVPVSSYSA-N	-1	0	250.320	0.068	20	30		CCEDRM
C=CCCO[N-]C(=O)CNS(=O)(=O)c1cccs1	ZINC000856029786	613576708	/nfs/dbraw/zinc/57/67/08/613576708.db2.gz	CYDZVXQORYSMKU-UHFFFAOYSA-N	-1	0	290.366	0.650	20	30		CCEDRM
C=CCCO[N-]C(=O)CNC(=O)Cc1ccc(O)cc1	ZINC000856034074	613576752	/nfs/dbraw/zinc/57/67/52/613576752.db2.gz	FSDNKTJEWNZCTG-UHFFFAOYSA-N	-1	0	278.308	0.675	20	30		CCEDRM
C=CCCO[N-]C(=O)CS[C@H]1CCS(=O)(=O)C1	ZINC000856029200	613576879	/nfs/dbraw/zinc/57/68/79/613576879.db2.gz	DASNXKGFWYITAQ-VIFPVBQESA-N	-1	0	279.383	0.531	20	30		CCEDRM
C=CCCS(=O)(=O)N1CCC[C@@H]1CN(C)C(=O)[O-]	ZINC000823500794	613580831	/nfs/dbraw/zinc/58/08/31/613580831.db2.gz	LOLWMAZCACBILK-SNVBAGLBSA-N	-1	0	276.358	0.967	20	30		CCEDRM
C=CCC[C@@H](NC(=O)/C=C\c1cn(C)cn1)C(=O)[O-]	ZINC000923081641	613584587	/nfs/dbraw/zinc/58/45/87/613584587.db2.gz	LWCDXZZHVXMEHS-JMEBYUIHSA-N	-1	0	263.297	0.969	20	30		CCEDRM
CC(=O)N1CCc2c(C#N)c([N-]S(C)(=O)=O)sc2C1	ZINC000906075773	613587985	/nfs/dbraw/zinc/58/79/85/613587985.db2.gz	OCIKQVMBCCNIGZ-UHFFFAOYSA-N	-1	0	299.377	0.896	20	30		CCEDRM
C=CCC[C@H](NC(=O)NOC[C@@H]1CCOC1)C(=O)[O-]	ZINC000909248073	613590100	/nfs/dbraw/zinc/59/01/00/613590100.db2.gz	DNSWLNSJLNSKMG-ZJUUUORDSA-N	-1	0	272.301	0.673	20	30		CCEDRM
C=CCC[C@H](O)CN1CCO[C@@H]([C@H](C)NC(=O)[O-])C1	ZINC000823496297	613591016	/nfs/dbraw/zinc/59/10/16/613591016.db2.gz	HLYBNJNPARSGEK-SDDRHHMPSA-N	-1	0	272.345	0.670	20	30		CCEDRM
C=CCCn1cc(C=NN[C@H](CC)C(=O)[O-])nn1	ZINC000853348886	613597881	/nfs/dbraw/zinc/59/78/81/613597881.db2.gz	PKRGJKIGKZIAJB-SNVBAGLBSA-N	-1	0	251.290	0.641	20	30		CCEDRM
C=CCN(C(=O)C(=O)NC[C@H](CC)C(=O)[O-])C(C)C	ZINC000927954297	613603593	/nfs/dbraw/zinc/60/35/93/613603593.db2.gz	YTDGEHSQVMNZKT-JTQLQIEISA-N	-1	0	270.329	0.636	20	30		CCEDRM
C=CCN(C(=O)[C@@H](CC)C(=O)[O-])[C@H]1CCS(=O)(=O)C1	ZINC000908752468	613606429	/nfs/dbraw/zinc/60/64/29/613606429.db2.gz	WFXSVIMWASTJMS-VHSXEESVSA-N	-1	0	289.353	0.299	20	30		CCEDRM
C=CCN(CC(=O)[O-])C(=O)[C@@H](C)c1ccnn1C	ZINC000864134859	613643225	/nfs/dbraw/zinc/64/32/25/613643225.db2.gz	DDLYWFJFSKELDU-VIFPVBQESA-N	-1	0	251.286	0.623	20	30		CCEDRM
C=CCN(CC(=O)[O-])C[C@@H](O)COCc1ccco1	ZINC000846264513	613643623	/nfs/dbraw/zinc/64/36/23/613643623.db2.gz	GLBGFQHPSLIWSB-LLVKDONJSA-N	-1	0	269.297	0.730	20	30		CCEDRM
C=CCN(CC(=O)[O-])C(=O)c1cnc2n1CCCC2	ZINC000864136047	613643850	/nfs/dbraw/zinc/64/38/50/613643850.db2.gz	RQZPJOMVUSPQEM-UHFFFAOYSA-N	-1	0	263.297	0.932	20	30		CCEDRM
CC#CCNC(=O)C1=NN(c2ccccc2)[C@H](C(=O)[O-])C1	ZINC000819720248	613644059	/nfs/dbraw/zinc/64/40/59/613644059.db2.gz	PZYXYSHFDUBQAJ-ZDUSSCGKSA-N	-1	0	285.303	0.845	20	30		CCEDRM
CC#CCS(=O)(=O)[N-]C(=O)CCc1nnc(C(C)C)o1	ZINC000810779083	613645806	/nfs/dbraw/zinc/64/58/06/613645806.db2.gz	XTXDIAFWPPAPHT-UHFFFAOYSA-N	-1	0	299.352	0.595	20	30		CCEDRM
C=CCN(CC(F)(F)F)C(=O)COC1CN(C(=O)[O-])C1	ZINC000823500582	613646104	/nfs/dbraw/zinc/64/61/04/613646104.db2.gz	HOEWTHVNZQOEDU-UHFFFAOYSA-N	-1	0	296.245	0.942	20	30		CCEDRM
CC#CCS(=O)(=O)[N-]C(=O)[C@@H](C)NC(=O)C(C)(C)C	ZINC000810779070	613646136	/nfs/dbraw/zinc/64/61/36/613646136.db2.gz	XDWYLPDXYWKJMQ-SECBINFHSA-N	-1	0	288.369	0.007	20	30		CCEDRM
C=CCN(CC=C)C(=O)CN(CC)C1CN(C(=O)[O-])C1	ZINC000833788344	613646460	/nfs/dbraw/zinc/64/64/60/613646460.db2.gz	VQHZWJKWFMQBKM-UHFFFAOYSA-N	-1	0	281.356	0.871	20	30		CCEDRM
CC#CCS(=O)(=O)[N-]C(=O)[C@@H]1COc2ccccc21	ZINC000810777450	613646766	/nfs/dbraw/zinc/64/67/66/613646766.db2.gz	CPPGRXXSPFKJQS-LLVKDONJSA-N	-1	0	279.317	0.632	20	30		CCEDRM
CC#CCS(=O)(=O)[N-]C(=O)[C@H]1Cc2ccc(F)cc21	ZINC000810777483	613647166	/nfs/dbraw/zinc/64/71/66/613647166.db2.gz	HFIHTAXFIUXVQA-LBPRGKRZSA-N	-1	0	281.308	0.935	20	30		CCEDRM
CC#CCS(=O)(=O)[N-]C(=O)[C@H](CCC)OCC	ZINC000860722051	613647274	/nfs/dbraw/zinc/64/72/74/613647274.db2.gz	QTPVNFXDFUZWSE-JTQLQIEISA-N	-1	0	261.343	0.661	20	30		CCEDRM
CC#CCS(=O)(=O)[N-]C(=O)c1c(C)nn(CC)c1C	ZINC000810770816	613647395	/nfs/dbraw/zinc/64/73/95/613647395.db2.gz	BOCFYWIQNTZEJZ-UHFFFAOYSA-N	-1	0	283.353	0.603	20	30		CCEDRM
CC(=NNc1nnc(C)c(=O)[n-]1)c1ccc(N)nc1	ZINC000814734926	613657439	/nfs/dbraw/zinc/65/74/39/613657439.db2.gz	LILBVPNMEODPOK-UHFFFAOYSA-N	-1	0	259.273	0.699	20	30		CCEDRM
CC(=O)CCCC(=O)[N-]S(=O)(=O)c1cncc(C#N)c1	ZINC000813982287	613670553	/nfs/dbraw/zinc/67/05/53/613670553.db2.gz	HGGWURDOCQRNOF-UHFFFAOYSA-N	-1	0	295.320	0.517	20	30		CCEDRM
C=CCNC(=O)CN1CCN(C(=O)[O-])CC1(C)C	ZINC000823505970	613845152	/nfs/dbraw/zinc/84/51/52/613845152.db2.gz	AAFGEBQHVVEOBA-UHFFFAOYSA-N	-1	0	255.318	0.363	20	30		CCEDRM
C=CCNC(=O)C(C#N)=C([O-])c1cn(CC)nc1C	ZINC000860471353	613852984	/nfs/dbraw/zinc/85/29/84/613852984.db2.gz	IJCASIXFUJOQDX-JTQLQIEISA-N	-1	0	260.297	0.836	20	30		CCEDRM
C=CCNC(=O)C(C#N)=C([O-])c1ccc(-n2cnnn2)cc1	ZINC000916917567	613853045	/nfs/dbraw/zinc/85/30/45/613853045.db2.gz	LLYAZOXZVVODNO-LBPRGKRZSA-N	-1	0	296.290	0.287	20	30		CCEDRM
C=CCNC(=O)[C@H](C#N)C(=O)[C@@H](C)CN(C)C(=O)[O-]	ZINC000823507243	613854828	/nfs/dbraw/zinc/85/48/28/613854828.db2.gz	UNOYQAXSTKVTAW-DTWKUNHWSA-N	-1	0	267.285	0.243	20	30		CCEDRM
C=CCNC(=O)C(C#N)=C([O-])c1cn(C2CC2)nn1	ZINC000860471296	613854996	/nfs/dbraw/zinc/85/49/96/613854996.db2.gz	GYLBKQFGAFMCPG-SECBINFHSA-N	-1	0	259.269	0.238	20	30		CCEDRM
CC(=O)N1CCC[C@@H]1C(=O)[N-]Oc1cccc(C#N)c1	ZINC000870689431	613855086	/nfs/dbraw/zinc/85/50/86/613855086.db2.gz	CXGINCHNHZSUED-CYBMUJFWSA-N	-1	0	273.292	0.979	20	30		CCEDRM
C=CCNC(=O)[C@H](C)N1CC[C@H](N(C)C(=O)[O-])C1	ZINC000823507355	613855179	/nfs/dbraw/zinc/85/51/79/613855179.db2.gz	WCQUICGIEAIWPS-UWVGGRQHSA-N	-1	0	255.318	0.361	20	30		CCEDRM
C=CCNC(=O)[C@H](C)OC(=O)c1cc(C(=O)[O-])no1	ZINC000833377521	613855848	/nfs/dbraw/zinc/85/58/48/613855848.db2.gz	ZYPYJHSUVYFUED-LURJTMIESA-N	-1	0	268.225	0.220	20	30		CCEDRM
C=CCOCC(=O)N1CCC[C@@H]1CN(C)C(=O)[O-]	ZINC000823516387	613879030	/nfs/dbraw/zinc/87/90/30/613879030.db2.gz	IMPDYHIIBIQKLV-SNVBAGLBSA-N	-1	0	256.302	0.790	20	30		CCEDRM
C=CCOCC(=O)[N-]S(=O)(=O)c1cnc(C)s1	ZINC000755871229	613879372	/nfs/dbraw/zinc/87/93/72/613879372.db2.gz	AXWSLZNZFUDTKQ-UHFFFAOYSA-N	-1	0	276.339	0.459	20	30		CCEDRM
C=CCOCC(=O)[N-]S(=O)(=O)C1(C(F)F)CC1	ZINC000861163860	613879379	/nfs/dbraw/zinc/87/93/79/613879379.db2.gz	GAXDVHPCHUHJHQ-UHFFFAOYSA-N	-1	0	269.269	0.433	20	30		CCEDRM
C=CCOCC(=O)[N-]S(=O)(=O)[C@H]1C[C@@H]2CC[C@H]1C2	ZINC000835744769	613879396	/nfs/dbraw/zinc/87/93/96/613879396.db2.gz	OEPPEZKUBNCNEH-VWYCJHECSA-N	-1	0	273.354	0.824	20	30		CCEDRM
C=CCOCC(=O)NC[C@]1(C(=O)[O-])CCCOC1	ZINC000910305818	613879424	/nfs/dbraw/zinc/87/94/24/613879424.db2.gz	MBZZRPVWRYLKQU-GFCCVEGCSA-N	-1	0	257.286	0.187	20	30		CCEDRM
C=CCOCCCC(=O)N1CCO[C@@](C)(C(=O)[O-])C1	ZINC000910321853	613879609	/nfs/dbraw/zinc/87/96/09/613879609.db2.gz	BUMZMHIVETURCU-CYBMUJFWSA-N	-1	0	271.313	0.671	20	30		CCEDRM
C=CCOCCCC(=O)N[C@@H](CSC)C(=O)[O-]	ZINC000910878888	613879737	/nfs/dbraw/zinc/87/97/37/613879737.db2.gz	JUFOBQQYJNZICC-VIFPVBQESA-N	-1	0	261.343	0.902	20	30		CCEDRM
C=CCOCCCC(=O)N[C@@](C)(Cn1cccn1)C(=O)[O-]	ZINC000908272846	613879776	/nfs/dbraw/zinc/87/97/76/613879776.db2.gz	LDUDPIWZJIYWAZ-AWEZNQCLSA-N	-1	0	295.339	0.825	20	30		CCEDRM
C=CCOCCCNS(=O)(=O)N=S1(=O)CCCC1	ZINC000867516023	613880387	/nfs/dbraw/zinc/88/03/87/613880387.db2.gz	SBMYGBODLFAWQM-UHFFFAOYSA-N	-1	0	296.414	0.675	20	30		CCEDRM
C=CCOCCNC(=O)[C@@H]1CO[C@H](CCC(=O)[O-])C1	ZINC000902077214	613881153	/nfs/dbraw/zinc/88/11/53/613881153.db2.gz	MOSWCEJBJFWCAG-WDEREUQCSA-N	-1	0	271.313	0.575	20	30		CCEDRM
C=CCOC[C@@H](NC(=O)C1=CCOCC1)C(=O)[O-]	ZINC000909766360	613881519	/nfs/dbraw/zinc/88/15/19/613881519.db2.gz	HQDPCTVQAFTBPA-SNVBAGLBSA-N	-1	0	255.270	0.105	20	30		CCEDRM
C=CCOC[C@@H](NC(=O)C[C@@H]1CCCC[C@H]1O)C(=O)[O-]	ZINC000909770049	613881669	/nfs/dbraw/zinc/88/16/69/613881669.db2.gz	DRHFTWKKIBEQNR-QJPTWQEYSA-N	-1	0	285.340	0.700	20	30		CCEDRM
C=CCOC[C@@H](NC(=O)NC[C@@H]1C=CCC1)C(=O)[O-]	ZINC000905559408	613881675	/nfs/dbraw/zinc/88/16/75/613881675.db2.gz	LLLOVQZHQPSOAJ-GHMZBOCLSA-N	-1	0	268.313	0.908	20	30		CCEDRM
C=CCOC[C@@H](NC(=O)CCc1cncn1C)C(=O)[O-]	ZINC000909769142	613881690	/nfs/dbraw/zinc/88/16/90/613881690.db2.gz	BDFFDGANNMGVGV-LLVKDONJSA-N	-1	0	281.312	0.125	20	30		CCEDRM
C=CCOC[C@@H](NC(=O)Cc1cccc(O)c1)C(=O)[O-]	ZINC000909769509	613881692	/nfs/dbraw/zinc/88/16/92/613881692.db2.gz	CULUXCQPNBXKTK-GFCCVEGCSA-N	-1	0	279.292	0.707	20	30		CCEDRM
C=CCOC[C@@H](NC(=O)[C@@]1(OC)CCSC1)C(=O)[O-]	ZINC000909765815	613881728	/nfs/dbraw/zinc/88/17/28/613881728.db2.gz	FPPAHFFGUFFPBQ-BXKDBHETSA-N	-1	0	289.353	0.281	20	30		CCEDRM
C=CCOC[C@@H](NC(=O)[C@H](OC)C(C)C)C(=O)[O-]	ZINC000909771310	613881763	/nfs/dbraw/zinc/88/17/63/613881763.db2.gz	MQQZSTYUSNPMKD-NXEZZACHSA-N	-1	0	259.302	0.429	20	30		CCEDRM
C=CCOC[C@@H](NC(=O)[C@@H](C)Oc1ccccn1)C(=O)[O-]	ZINC000909769165	613881793	/nfs/dbraw/zinc/88/17/93/613881793.db2.gz	BLQPFPJPGLRDPP-GHMZBOCLSA-N	-1	0	294.307	0.621	20	30		CCEDRM
C=CCOC[C@H](NC(=O)C(CC)(CC)CO)C(=O)[O-]	ZINC000909769914	613882211	/nfs/dbraw/zinc/88/22/11/613882211.db2.gz	CFMVXMUZYBLDMX-JTQLQIEISA-N	-1	0	273.329	0.557	20	30		CCEDRM
C=CCOC[C@H](NC(=O)C[C@@H](C)COC)C(=O)[O-]	ZINC000909770914	613882380	/nfs/dbraw/zinc/88/23/80/613882380.db2.gz	MPYHORFVUZEJCZ-ZJUUUORDSA-N	-1	0	259.302	0.431	20	30		CCEDRM
C=CCOC[C@H](NC(=O)Cc1ccc(OC)cn1)C(=O)[O-]	ZINC000909770349	613882401	/nfs/dbraw/zinc/88/24/01/613882401.db2.gz	FQNWYEMQADOORL-LBPRGKRZSA-N	-1	0	294.307	0.405	20	30		CCEDRM
C=CCOC[C@H](NC(=O)[C@@H](C)[C@@H]1CCCO1)C(=O)[O-]	ZINC000909767394	613882447	/nfs/dbraw/zinc/88/24/47/613882447.db2.gz	NQWVRHNSIAGSRN-DCAQKATOSA-N	-1	0	271.313	0.574	20	30		CCEDRM
C=CCOC[C@H](NC(=O)[C@H]1C[C@@H](C)CO1)C(=O)[O-]	ZINC000909767403	613882644	/nfs/dbraw/zinc/88/26/44/613882644.db2.gz	NTALAGKMOLTGPF-KXUCPTDWSA-N	-1	0	257.286	0.183	20	30		CCEDRM
C=CCO[N-]C(=O)[C@@H](NS(C)(=O)=O)C(C)(C)C	ZINC000837048587	613884334	/nfs/dbraw/zinc/88/43/34/613884334.db2.gz	VBEQCVBMAGAANH-MRVPVSSYSA-N	-1	0	264.347	0.184	20	30		CCEDRM
C=CCO[N-]C(=O)[C@@H]1CCCCN1S(C)(=O)=O	ZINC000837044377	613884399	/nfs/dbraw/zinc/88/43/99/613884399.db2.gz	ZRPXHBQGXNQEHN-VIFPVBQESA-N	-1	0	262.331	0.034	20	30		CCEDRM
C=CCO[N-]C(=O)[C@](C)(O)Cn1c(C)cccc1=O	ZINC000837048152	613884487	/nfs/dbraw/zinc/88/44/87/613884487.db2.gz	LVYDQYRJEOYMIG-CYBMUJFWSA-N	-1	0	266.297	0.142	20	30		CCEDRM
C=CCO[N-]C(=O)[C@H](C)n1nnnc1C(C)(C)C	ZINC000837048406	613884538	/nfs/dbraw/zinc/88/45/38/613884538.db2.gz	SQEVSBCOTWPCFA-QMMMGPOBSA-N	-1	0	253.306	0.765	20	30		CCEDRM
C=CCO[N-]C(=O)[C@H]1CCCN1S(=O)(=O)CCCC	ZINC000837045333	613884600	/nfs/dbraw/zinc/88/46/00/613884600.db2.gz	ZRPNODXTSMBVOG-LLVKDONJSA-N	-1	0	290.385	0.815	20	30		CCEDRM
C=CCOc1ccc(CC(=O)NCC(=O)[N-]OCC)cc1	ZINC000846491075	613884696	/nfs/dbraw/zinc/88/46/96/613884696.db2.gz	LXYDYRKPHKIGTM-UHFFFAOYSA-N	-1	0	292.335	0.978	20	30		CCEDRM
C=CCS(=O)(=O)[N-]C(=O)c1cn(C2CCC2)nn1	ZINC000842746087	613886270	/nfs/dbraw/zinc/88/62/70/613886270.db2.gz	BBKBRBWLZXZGNY-UHFFFAOYSA-N	-1	0	270.314	0.249	20	30		CCEDRM
C=CCS(=O)(=O)[N-]C(=O)c1ccnc2c1ncn2C	ZINC000805902191	613886300	/nfs/dbraw/zinc/88/63/00/613886300.db2.gz	LAEFCFSEOPFDAZ-UHFFFAOYSA-N	-1	0	280.309	0.214	20	30		CCEDRM
C=CCS(=O)(=O)[N-]C(=O)c1cc(C(=O)OCC)no1	ZINC000835254357	613886358	/nfs/dbraw/zinc/88/63/58/613886358.db2.gz	WMFWBOBMVPCWLD-UHFFFAOYSA-N	-1	0	288.281	0.097	20	30		CCEDRM
CC(C)NC(=O)C(C#N)=C([O-])c1cccc(C#N)n1	ZINC000810532334	613933617	/nfs/dbraw/zinc/93/36/17/613933617.db2.gz	CPVFKFFVUFDCCD-SNVBAGLBSA-N	-1	0	256.265	0.800	20	30		CCEDRM
CC(C)(CNC(=O)c1ccc(C#N)cn1)NC(=O)[O-]	ZINC000824001277	614108333	/nfs/dbraw/zinc/10/83/33/614108333.db2.gz	CRSNSBJVQJTUGW-UHFFFAOYSA-N	-1	0	262.269	0.729	20	30		CCEDRM
CC(C)CNC(=O)[C@@H](C)OC(=O)[C@](C)(C#N)CC(=O)[O-]	ZINC000819976803	614141732	/nfs/dbraw/zinc/14/17/32/614141732.db2.gz	GBNNJGHDTXDKOJ-RNCFNFMXSA-N	-1	0	284.312	0.695	20	30		CCEDRM
CC(C)[C@H](NC(=O)[O-])C(=O)NC[C@H]1CCCN(CC#N)C1	ZINC000824137997	614234353	/nfs/dbraw/zinc/23/43/53/614234353.db2.gz	YNMVVZBXTCETDJ-NEPJUHHUSA-N	-1	0	296.371	0.630	20	30		CCEDRM
CC(C)Cn1[n-]c(CC(=O)N2CC[C@@](F)(C#N)C2)cc1=O	ZINC000935572647	614235586	/nfs/dbraw/zinc/23/55/86/614235586.db2.gz	ZJIYTIVXXPUEKX-CQSZACIVSA-N	-1	0	294.330	0.839	20	30		CCEDRM
CC(C)(C#N)C(=O)N1CCSC[C@H](C(=O)[O-])C1	ZINC000923101883	614284431	/nfs/dbraw/zinc/28/44/31/614284431.db2.gz	JWRRAHGGZKXULM-MRVPVSSYSA-N	-1	0	256.327	0.812	20	30		CCEDRM
CC(C)[C@](C)(C#N)NC(=O)C[N@H+]1C[C@H](C(=O)[O-])[C@H](C)C1	ZINC000828431677	614286032	/nfs/dbraw/zinc/28/60/32/614286032.db2.gz	JXALURMUTFNZLW-SUNKGSAMSA-N	-1	0	281.356	0.693	20	30		CCEDRM
CC(C)(C)C(=O)NCCNC(=O)[C@](C)(C#N)CC(=O)[O-]	ZINC000819901443	614344758	/nfs/dbraw/zinc/34/47/58/614344758.db2.gz	DXXVDBOYFBQTNP-ZDUSSCGKSA-N	-1	0	283.328	0.269	20	30		CCEDRM
CC(C)N1CC[C@H](NC(=O)[C@](C)(C#N)CC(=O)[O-])C1=O	ZINC000820024925	614386884	/nfs/dbraw/zinc/38/68/84/614386884.db2.gz	JSWUXSLOCYQXFJ-ZANVPECISA-N	-1	0	281.312	0.116	20	30		CCEDRM
CCCc1nc(C(=O)[N-]S(=O)(=O)CCCC#N)co1	ZINC000802126687	614488257	/nfs/dbraw/zinc/48/82/57/614488257.db2.gz	NWQDFNQWNQPEBS-UHFFFAOYSA-N	-1	0	285.325	0.990	20	30		CCEDRM
CCCn1nccc1C([O-])=C(C#N)C(=O)NCCCOC	ZINC000850752293	614551833	/nfs/dbraw/zinc/55/18/33/614551833.db2.gz	NCXMPNRNSFSWRM-NSHDSACASA-N	-1	0	292.339	0.768	20	30		CCEDRM
CCCn1nccc1C=Nn1c(=O)c(C)n[n-]c1=S	ZINC000853266451	614551949	/nfs/dbraw/zinc/55/19/49/614551949.db2.gz	FVPVFSATSOUYNY-UHFFFAOYSA-N	-1	0	278.341	0.724	20	30		CCEDRM
CCC(CC)S(=O)(=O)[N-]C(=O)CSCC#N	ZINC000113697447	614576332	/nfs/dbraw/zinc/57/63/32/614576332.db2.gz	PYTLYGQFRBDQCK-UHFFFAOYSA-N	-1	0	264.372	0.878	20	30		CCEDRM
CCC1(S(=O)(=O)[N-]C(=O)c2ccnc(C#N)c2)CC1	ZINC000835536944	614711421	/nfs/dbraw/zinc/71/14/21/614711421.db2.gz	YQDDAIXKURIGHJ-UHFFFAOYSA-N	-1	0	279.321	0.955	20	30		CCEDRM
CC1(C)C[C@@H](S(=O)(=O)[N-]C(=O)CC2(C#N)CC2)CO1	ZINC000861139769	614750419	/nfs/dbraw/zinc/75/04/19/614750419.db2.gz	YWBHHRNOAOMXDX-SECBINFHSA-N	-1	0	286.353	0.694	20	30		CCEDRM
CCCCCCOCC(=O)[N-]S(=O)(=O)CCC#N	ZINC000835411835	614914083	/nfs/dbraw/zinc/91/40/83/614914083.db2.gz	PNKQOBDPZNEVOD-UHFFFAOYSA-N	-1	0	276.358	0.943	20	30		CCEDRM
CCCCCC[C@@H](C)NN=C1C(=O)[N-]C(=O)NC1=O	ZINC000814222626	614916111	/nfs/dbraw/zinc/91/61/11/614916111.db2.gz	QNZZJMJLQVNVFG-MRVPVSSYSA-N	-1	0	268.317	0.657	20	30		CCEDRM
CCN(C1CN(C(=O)[O-])C1)S(=O)(=O)CCCCC#N	ZINC000826992442	614922464	/nfs/dbraw/zinc/92/24/64/614922464.db2.gz	MXWNTZKGKFSAHG-UHFFFAOYSA-N	-1	0	289.357	0.694	20	30		CCEDRM
CCCO[N-]C(=O)C(=NOC)c1csc(N)n1	ZINC000824041106	614942219	/nfs/dbraw/zinc/94/22/19/614942219.db2.gz	HKLWIEIFABZHLW-UHFFFAOYSA-N	-1	0	258.303	0.534	20	30		CCEDRM
CC1=CC(=O)C(=C([O-])C=Cc2ccnn2C)C(=O)O1	ZINC000913615207	614968588	/nfs/dbraw/zinc/96/85/88/614968588.db2.gz	DUKKZKWHJMTEES-VSQXVHSFSA-N	-1	0	260.249	0.648	20	30		CCEDRM
CCN(CCC#N)C(=O)C[NH2+][C@](C)(C(=O)[O-])C1CC1	ZINC000829692168	615022381	/nfs/dbraw/zinc/02/23/81/615022381.db2.gz	BJHBLFINRPTDCK-ZDUSSCGKSA-N	-1	0	267.329	0.591	20	30		CCEDRM
CCC[C@H](C#N)NC(=O)COC1CN(C(=O)[O-])C1	ZINC000826705937	615033367	/nfs/dbraw/zinc/03/33/67/615033367.db2.gz	KALFAGKTYMNXQL-MRVPVSSYSA-N	-1	0	255.274	0.174	20	30		CCEDRM
CCC[C@H](NC(=O)[O-])C(=O)N1CCOC[C@@H]1C#N	ZINC000826752630	615044601	/nfs/dbraw/zinc/04/46/01/615044601.db2.gz	YFNPZOXQGLYEEW-IUCAKERBSA-N	-1	0	255.274	0.174	20	30		CCEDRM
CCN(CCO)N=Cc1cc(OC)c([O-])c([N+](=O)[O-])c1	ZINC000842534556	615055169	/nfs/dbraw/zinc/05/51/69/615055169.db2.gz	RYNUARYYSPWSMC-UHFFFAOYSA-N	-1	0	283.284	0.957	20	30		CCEDRM
CCN(C[C@H]1CCOC1)C(=O)[C@@](C)(C#N)CC(=O)[O-]	ZINC000820343951	615067416	/nfs/dbraw/zinc/06/74/16/615067416.db2.gz	DFPCPKFSUYNKLI-ZWNOBZJWSA-N	-1	0	268.313	0.876	20	30		CCEDRM
CCOC(=O)CCCCn1cnc(-c2nnn[n-]2)c1C#N	ZINC000825505974	615172452	/nfs/dbraw/zinc/17/24/52/615172452.db2.gz	ANTUGPFJAYTLAM-UHFFFAOYSA-N	-1	0	289.299	0.668	20	30		CCEDRM
CCOC1(C(=O)N[C@H]2CCCN(O)C2=O)CCOCC1	ZINC000854648489	615206873	/nfs/dbraw/zinc/20/68/73/615206873.db2.gz	FNFPIHVNYOAMQO-JTQLQIEISA-N	-1	0	286.328	0.069	20	30		CCEDRM
CCS(=O)(=O)[N-]C(=O)Cc1cccc(OCC#N)c1	ZINC000810580522	615339546	/nfs/dbraw/zinc/33/95/46/615339546.db2.gz	SNFCKORUTHCBGC-UHFFFAOYSA-N	-1	0	282.321	0.597	20	30		CCEDRM
CCO[N-]C(=O)CNC(=O)C(F)(F)c1ccccc1C#N	ZINC000911897959	615356692	/nfs/dbraw/zinc/35/66/92/615356692.db2.gz	IUDMVNAQGIKSSU-UHFFFAOYSA-N	-1	0	297.261	0.834	20	30		CCEDRM
CCO[N-]C(=O)CNC(=O)Cc1cccc(OCC#N)c1	ZINC000846492603	615358250	/nfs/dbraw/zinc/35/82/50/615358250.db2.gz	AFYWQFCDQTXHSG-UHFFFAOYSA-N	-1	0	291.307	0.315	20	30		CCEDRM
CC[C@@H](C#N)NS(=O)(=O)c1cc(C(=O)[O-])n(C)c1	ZINC000833636003	615366506	/nfs/dbraw/zinc/36/65/06/615366506.db2.gz	DHUKOTJQDWGCIT-ZETCQYMHSA-N	-1	0	271.298	0.304	20	30		CCEDRM
CCO[N-]C(=O)CNC(=S)Nc1ccccc1C#N	ZINC000844590051	615373662	/nfs/dbraw/zinc/37/36/62/615373662.db2.gz	NAEZOHDXQGLXQX-UHFFFAOYSA-N	-1	0	278.337	0.912	20	30		CCEDRM
CCO[C@@H](C)C(=O)[N-]S(=O)(=O)CC1(C#N)CC1	ZINC000793203311	615400035	/nfs/dbraw/zinc/40/00/35/615400035.db2.gz	DGBCYEUFBGFHPV-QMMMGPOBSA-N	-1	0	260.315	0.161	20	30		CCEDRM
CC[C@@H](NN=C1CS(=O)(=O)Cc2ccccc21)C(=O)[O-]	ZINC000853348257	615536471	/nfs/dbraw/zinc/53/64/71/615536471.db2.gz	FCKAQDUNBKZILS-LLVKDONJSA-N	-1	0	296.348	0.772	20	30		CCEDRM
CC[C@@H](OC)C(=O)[N-]S(=O)(=O)CC1(C#N)CC1	ZINC000793205033	615547469	/nfs/dbraw/zinc/54/74/69/615547469.db2.gz	SKFKQSWRHOQQQU-MRVPVSSYSA-N	-1	0	260.315	0.161	20	30		CCEDRM
CC[C@@](C)(NC(=O)[C@@H](O)c1ccc(C#N)cc1)C(=O)[O-]	ZINC000833636960	615589852	/nfs/dbraw/zinc/58/98/52/615589852.db2.gz	FWXBMPSGVJSUEN-SMDDNHRTSA-N	-1	0	276.292	0.961	20	30		CCEDRM
CCc1c(C(=O)[N-]S(=O)(=O)CCCC#N)ccn1C	ZINC000810655724	615604313	/nfs/dbraw/zinc/60/43/13/615604313.db2.gz	WZYWMRUCUKLKFC-UHFFFAOYSA-N	-1	0	283.353	0.951	20	30		CCEDRM
CCn1nc(C)c(C(=O)[C@@H](C#N)C(=O)Nc2ccccn2)n1	ZINC000815915419	615650800	/nfs/dbraw/zinc/65/08/00/615650800.db2.gz	OCZSPURSMCVVGB-SNVBAGLBSA-N	-1	0	298.306	0.963	20	30		CCEDRM
CCn1ncc(C=CC([O-])=C2C(=O)C=C(C)OC2=O)n1	ZINC000901416782	615675898	/nfs/dbraw/zinc/67/58/98/615675898.db2.gz	IYXBMUDCMSKILL-QMAVJUDZSA-N	-1	0	275.264	0.526	20	30		CCEDRM
CN(C(=O)CN(CC#N)CC(=O)[O-])c1ccccc1	ZINC000830478352	615813712	/nfs/dbraw/zinc/81/37/12/615813712.db2.gz	QNJMNIQGFNUEKX-UHFFFAOYSA-N	-1	0	261.281	0.560	20	30		CCEDRM
CC[C@H](OC)C(=O)N1CCN(C(=O)[O-])C[C@@H]1C#N	ZINC000826631494	615854087	/nfs/dbraw/zinc/85/40/87/615854087.db2.gz	KNEFECUWZJDWRK-IUCAKERBSA-N	-1	0	255.274	0.126	20	30		CCEDRM
CN(C(=O)c1cc(-c2nn[nH]n2)cn1C)C1(C#N)CCC1	ZINC000821573591	615893567	/nfs/dbraw/zinc/89/35/67/615893567.db2.gz	WRMLCBGHUJAGEM-UHFFFAOYSA-N	-1	0	285.311	0.723	20	30		CCEDRM
CC[C@](C)(C#N)C(=O)NC[C@]1(C(=O)[O-])CCCOC1	ZINC000923100387	615942126	/nfs/dbraw/zinc/94/21/26/615942126.db2.gz	LADQQBAHKAZHAN-CHWSQXEVSA-N	-1	0	268.313	0.924	20	30		CCEDRM
CCn1cc(C([O-])=C(C#N)C(=O)NC2CC2)c(C)n1	ZINC000860473504	615962530	/nfs/dbraw/zinc/96/25/30/615962530.db2.gz	NCSFQPSTEOOSDU-SNVBAGLBSA-N	-1	0	260.297	0.813	20	30		CCEDRM
CC[C@]1(C)NC(=O)N([N-]C(=O)c2cccc(C#N)n2)C1=O	ZINC000809961426	615993078	/nfs/dbraw/zinc/99/30/78/615993078.db2.gz	SUCKNNUUQPSTDG-ZDUSSCGKSA-N	-1	0	287.279	0.319	20	30		CCEDRM
CCn1cc(S(=O)(=O)[N-]C(=O)CCCC#N)cn1	ZINC000813071816	616010946	/nfs/dbraw/zinc/01/09/46/616010946.db2.gz	FRZAMRGKWLRNKW-UHFFFAOYSA-N	-1	0	270.314	0.402	20	30		CCEDRM
CCn1ccc(C(=O)C(C#N)=C([O-])c2nccn2C)n1	ZINC000842740520	616025126	/nfs/dbraw/zinc/02/51/26/616025126.db2.gz	SFMWODOAECRXQJ-SECBINFHSA-N	-1	0	271.280	0.842	20	30		CCEDRM
CN(CC(=O)NC(C)(C)C)C(=O)[C@@](C)(C#N)CC(=O)[O-]	ZINC000820554666	616046023	/nfs/dbraw/zinc/04/60/23/616046023.db2.gz	YGWJABTXLGXUBV-CYBMUJFWSA-N	-1	0	283.328	0.364	20	30		CCEDRM
CN(CCC(=O)[O-])C(=O)Nc1ccn(CCC#N)n1	ZINC000818439915	616068860	/nfs/dbraw/zinc/06/88/60/616068860.db2.gz	MMRASOZBAVGUQC-UHFFFAOYSA-N	-1	0	265.273	0.735	20	30		CCEDRM
CN1CCN(N=Cc2ccc(C(=O)[O-])c(O)c2)CC1	ZINC000901123263	616246211	/nfs/dbraw/zinc/24/62/11/616246211.db2.gz	LIPWYOCVSLNZKA-UHFFFAOYSA-N	-1	0	263.297	0.672	20	30		CCEDRM
COC(=O)C(C)(C)CNC(=O)[C@@](C)(C#N)CC(=O)[O-]	ZINC000820645551	616337623	/nfs/dbraw/zinc/33/76/23/616337623.db2.gz	LQFLTGFTSITHQL-GFCCVEGCSA-N	-1	0	270.285	0.306	20	30		CCEDRM
COCC(C)=CC(=O)C(C#N)=C([O-])c1nccn1C	ZINC000845491831	616372162	/nfs/dbraw/zinc/37/21/62/616372162.db2.gz	RDHZJSHSKSFROZ-OLKPEBQYSA-N	-1	0	261.281	0.904	20	30		CCEDRM
COCCNC(=O)CN[C@@H](C(=O)[O-])c1cccc(C#N)c1	ZINC000831753041	616487944	/nfs/dbraw/zinc/48/79/44/616487944.db2.gz	KZCRSNCQZNJXGF-CYBMUJFWSA-N	-1	0	291.307	0.036	20	30		CCEDRM
COCCNC(=O)C(C#N)=C([O-])c1ccc(COC)o1	ZINC000916890970	616491647	/nfs/dbraw/zinc/49/16/47/616491647.db2.gz	NTPCSWMZQROFTB-JTQLQIEISA-N	-1	0	280.280	0.511	20	30		CCEDRM
COCCNC(=O)C(C#N)=C([O-])c1cccc(SC)n1	ZINC000842683872	616491931	/nfs/dbraw/zinc/49/19/31/616491931.db2.gz	DTSOSECRXUWWDE-VIFPVBQESA-N	-1	0	293.348	0.889	20	30		CCEDRM
COCCNC(=O)C(C#N)=C([O-])c1cccc(N(C)C)c1	ZINC000802040054	616492019	/nfs/dbraw/zinc/49/20/19/616492019.db2.gz	FEWBIBYPTPODEQ-ZDUSSCGKSA-N	-1	0	289.335	0.838	20	30		CCEDRM
COCCNC(=O)C(C#N)=C([O-])c1cc(C)[nH]c1C	ZINC000916890985	616496615	/nfs/dbraw/zinc/49/66/15/616496615.db2.gz	NYCWQSLLCWSSNY-LLVKDONJSA-N	-1	0	263.297	0.717	20	30		CCEDRM
COCC#CCN1c2ccc(F)cc2C([O-])=CS1(=O)=O	ZINC000902477615	616528079	/nfs/dbraw/zinc/52/80/79/616528079.db2.gz	PDDIGYKMDKUVTR-UHFFFAOYSA-N	-1	0	297.307	0.808	20	30		CCEDRM
COC(=O)CN(CC#N)C(=O)c1cc(F)cc(F)c1[O-]	ZINC000933219566	616587974	/nfs/dbraw/zinc/58/79/74/616587974.db2.gz	SQZHXSGPODCARO-UHFFFAOYSA-N	-1	0	284.218	0.809	20	30		CCEDRM
CO[C@@H]1CCC[C@@H](C(=O)[N-]S(=O)(=O)CCCC#N)C1	ZINC000816005571	616623858	/nfs/dbraw/zinc/62/38/58/616623858.db2.gz	RPUXIRHBSSXPJX-GHMZBOCLSA-N	-1	0	288.369	0.941	20	30		CCEDRM
COC(=O)[C@H]1CCC[C@H](C(=O)N(CC#N)CC(=O)[O-])C1	ZINC000831100935	616658630	/nfs/dbraw/zinc/65/86/30/616658630.db2.gz	SKJLVNOVSQWLPZ-UWVGGRQHSA-N	-1	0	282.296	0.403	20	30		CCEDRM
COC[C@H](NC(=O)[C@@](C)(C#N)CC(=O)[O-])C(C)C	ZINC000820710582	616710572	/nfs/dbraw/zinc/71/05/72/616710572.db2.gz	POKUGJDZYFCDNS-JOYOIKCWSA-N	-1	0	256.302	0.778	20	30		CCEDRM
COC[C@](C)(C#N)NC(=O)CCSCC(=O)[O-]	ZINC000831540902	616816368	/nfs/dbraw/zinc/81/63/68/616816368.db2.gz	HTRLPVVHJOUFDO-JTQLQIEISA-N	-1	0	260.315	0.239	20	30		CCEDRM
COC[C@](C)(CC(=O)[O-])NC(=O)c1ccc(C#N)[nH]1	ZINC000833722234	616819368	/nfs/dbraw/zinc/81/93/68/616819368.db2.gz	OHPDNWPGRCQFGO-LBPRGKRZSA-N	-1	0	265.269	0.496	20	30		CCEDRM
COC[C@](C)(NC(=O)CNc1ccc(C#N)cc1)C(=O)[O-]	ZINC000831608071	616828099	/nfs/dbraw/zinc/82/80/99/616828099.db2.gz	BYFHOAHEUHOHPR-AWEZNQCLSA-N	-1	0	291.307	0.576	20	30		CCEDRM
COC(=O)c1cc(C([O-])=C(C#N)C(=O)N2CCCC2)c[nH]1	ZINC000815904884	616834764	/nfs/dbraw/zinc/83/47/64/616834764.db2.gz	SKPGMLNHPDZEKY-JTQLQIEISA-N	-1	0	289.291	0.746	20	30		CCEDRM
COC[C@@H](C)S(=O)(=O)[N-]C(=O)c1ncc(C#N)cc1C	ZINC000815948455	616838736	/nfs/dbraw/zinc/83/87/36/616838736.db2.gz	KPALAFPCXRFVSF-SECBINFHSA-N	-1	0	297.336	0.356	20	30		CCEDRM
CNC(=O)C(C#N)=C([O-])c1cc(Cl)nc(N(C)C)c1	ZINC000113653744	616839238	/nfs/dbraw/zinc/83/92/38/616839238.db2.gz	UGNRNXROUIGXEC-MRVPVSSYSA-N	-1	0	280.715	0.869	20	30		CCEDRM
CNC(=O)C(C#N)=C([O-])c1ccsc1COC	ZINC000870155055	616839634	/nfs/dbraw/zinc/83/96/34/616839634.db2.gz	SCUKUZPTTYVVPE-MRVPVSSYSA-N	-1	0	252.295	0.963	20	30		CCEDRM
CO[C@@]1(C(=O)[N-]S(=O)(=O)CCCC#N)CCSC1	ZINC000892926727	616918786	/nfs/dbraw/zinc/91/87/86/616918786.db2.gz	XNCKTTVWLJNUAT-JTQLQIEISA-N	-1	0	292.382	0.258	20	30		CCEDRM
COCCN(CCC#N)C(=O)[C@H]1CC[C@@H](NC(=O)[O-])C1	ZINC000828979590	616991988	/nfs/dbraw/zinc/99/19/88/616991988.db2.gz	INMVALMOGIEJDA-WDEREUQCSA-N	-1	0	283.328	0.811	20	30		CCEDRM
COC[C@@](C)(C#N)NC(=O)c1csc(CNC(=O)[O-])n1	ZINC000828885904	617012038	/nfs/dbraw/zinc/01/20/38/617012038.db2.gz	PVZLVIQQRRPXND-LLVKDONJSA-N	-1	0	298.324	0.569	20	30		CCEDRM
COC[C@H](C#N)OC(=O)[C@H]1CC[C@H](NC(=O)[O-])C1	ZINC000833881713	617047108	/nfs/dbraw/zinc/04/71/08/617047108.db2.gz	CEKMFUGGVDBUFO-CIUDSAMLSA-N	-1	0	256.258	0.504	20	30		CCEDRM
CON=C(C(=O)[N-]OCCC1CC1)c1csc(N)n1	ZINC000823144230	617102921	/nfs/dbraw/zinc/10/29/21/617102921.db2.gz	ANBGESKKSUIRTR-UHFFFAOYSA-N	-1	0	284.341	0.924	20	30		CCEDRM
CON=Cc1ccc(C(=O)N[C@@]2(C(=O)[O-])CCOC2)cc1	ZINC000831836468	617106716	/nfs/dbraw/zinc/10/67/16/617106716.db2.gz	HLAWPIITHHYVOE-AWEZNQCLSA-N	-1	0	292.291	0.640	20	30		CCEDRM
CON=Cc1ccc(C(=O)N[C@H]2CCCN(O)C2=O)cc1	ZINC000820470749	617106752	/nfs/dbraw/zinc/10/67/52/617106752.db2.gz	FJXWLEHAUIFZAR-LBPRGKRZSA-N	-1	0	291.307	0.777	20	30		CCEDRM
CO[C@@H](C(=O)[N-]S(=O)(=O)CCC#N)c1ccccc1	ZINC000821584126	617126714	/nfs/dbraw/zinc/12/67/14/617126714.db2.gz	SCUZBHYCCKJEOO-LLVKDONJSA-N	-1	0	282.321	0.734	20	30		CCEDRM
CO[C@@H](C)CC(=O)N1CCN(C(=O)[O-])C[C@@H]1C#N	ZINC000828825224	617146904	/nfs/dbraw/zinc/14/69/04/617146904.db2.gz	YOVQLSVSMPKSQV-IUCAKERBSA-N	-1	0	255.274	0.126	20	30		CCEDRM
CO[C@@H](CS(=O)(=O)[N-]c1ccncc1C#N)C1CC1	ZINC000903149878	617170347	/nfs/dbraw/zinc/17/03/47/617170347.db2.gz	GOFSMIWLSXMEMB-LBPRGKRZSA-N	-1	0	281.337	0.542	20	30		CCEDRM
Cc1cc(S(=O)(=O)[N-]C(=O)CSCC#N)c(C)o1	ZINC000181330453	625370999	/nfs/dbraw/zinc/37/09/99/625370999.db2.gz	BOPICFNVOHRTPN-UHFFFAOYSA-N	-1	0	288.350	0.958	20	30		CCEDRM
C[C@@H](CC#N)C(=O)[N-]S(=O)(=O)C1(Cl)CC1	ZINC000893235656	625389818	/nfs/dbraw/zinc/38/98/18/625389818.db2.gz	XYDWYOVRLISREJ-LURJTMIESA-N	-1	0	250.707	0.711	20	30		CCEDRM
CC(C)[C@H]([N-]C(=O)C(F)(F)F)C(=O)NC1(C#N)CC1	ZINC000194129683	625571888	/nfs/dbraw/zinc/57/18/88/625571888.db2.gz	JWTZSUNGBYGDHP-ZETCQYMHSA-N	-1	0	277.246	0.862	20	30		CCEDRM
CC[C@H](NN=Cc1c(Br)cnn1C)C(=O)[O-]	ZINC000309332386	622813234	/nfs/dbraw/zinc/81/32/34/622813234.db2.gz	ICPXHKGQRGJZKQ-ZETCQYMHSA-N	-1	0	289.133	0.969	20	30		CCEDRM
C#CCCCCNC(=O)N[C@]1(C(=O)[O-])CCOC1	ZINC000229755288	623561833	/nfs/dbraw/zinc/56/18/33/623561833.db2.gz	HGHYWHSOIYFOCY-GFCCVEGCSA-N	-1	0	254.286	0.333	20	30		CCEDRM
N#Cc1cncc(S(=O)(=O)N(CC(=O)[O-])C2CC2)c1	ZINC000311937105	623864625	/nfs/dbraw/zinc/86/46/25/623864625.db2.gz	HGDHUIBOIVZGRW-UHFFFAOYSA-N	-1	0	281.293	0.191	20	30		CCEDRM
O=C(CCCc1nnn[n-]1)NCC#C[C@H]1CCCCO1	ZINC000891112506	624728007	/nfs/dbraw/zinc/72/80/07/624728007.db2.gz	KXYNHJGCBUUKCP-LLVKDONJSA-N	-1	0	277.328	0.211	20	30		CCEDRM
C=CCCCN(CC)C(=O)C(=O)N1CC[C@H](C(=O)[O-])C1	ZINC000904950211	634771129	/nfs/dbraw/zinc/77/11/29/634771129.db2.gz	XRIKABHSJQRWNK-NSHDSACASA-N	-1	0	282.340	0.734	20	30		CCEDRM
C[C@H](O[C@@H](C)C(=O)N[C@H](CC#N)C(F)(F)F)C(=O)[O-]	ZINC000905130337	634806018	/nfs/dbraw/zinc/80/60/18/634806018.db2.gz	SYEYJFGRAYDXFH-LYFYHCNISA-N	-1	0	282.218	0.825	20	30		CCEDRM
N#CC1(CC(=O)[N-]S(=O)(=O)CC[C@@H]2CCCO2)CC1	ZINC000893708214	631408634	/nfs/dbraw/zinc/40/86/34/631408634.db2.gz	CJGBXKQGLITCMC-JTQLQIEISA-N	-1	0	286.353	0.695	20	30		CCEDRM
O=C1[C@H](NCc2cn3cccc(F)c3n2)CCCN1O	ZINC000895163055	631997427	/nfs/dbraw/zinc/99/74/27/631997427.db2.gz	QGFSCAJDXVVYMR-LLVKDONJSA-N	-1	0	278.287	0.943	20	30		CCEDRM
O=C([O-])c1ccc(C=NN2CCOCC2)cc1O	ZINC000901127512	634192917	/nfs/dbraw/zinc/19/29/17/634192917.db2.gz	ZZKHVZZGNJUEMW-UHFFFAOYSA-N	-1	0	250.254	0.757	20	30		CCEDRM
Cn1cc(C(=O)[O-])cc1C=NN[C@H]1CCCOC1	ZINC000901222655	634215615	/nfs/dbraw/zinc/21/56/15/634215615.db2.gz	OHVFCJOPXMBTGA-JTQLQIEISA-N	-1	0	251.286	0.826	20	30		CCEDRM
CC#CC[C@H](NS(=O)(=O)CCCC1CC1)C(=O)[O-]	ZINC000905987628	634943559	/nfs/dbraw/zinc/94/35/59/634943559.db2.gz	JJMGBFJKOGESPG-NSHDSACASA-N	-1	0	273.354	0.963	20	30		CCEDRM
C[C@H]1[C@@H](C(=O)[O-])CCN1S(=O)(=O)CC(C)(C)C#N	ZINC000905994746	634945371	/nfs/dbraw/zinc/94/53/71/634945371.db2.gz	OJIPZMSLTHGFTC-IUCAKERBSA-N	-1	0	274.342	0.661	20	30		CCEDRM
C#C[C@@H]1CCCN(C(=O)c2cnc(C(=O)[O-])cn2)C1	ZINC000911408211	636257730	/nfs/dbraw/zinc/25/77/30/636257730.db2.gz	BOUAFLFXWYGBMM-SECBINFHSA-N	-1	0	259.265	0.660	20	30		CCEDRM
C[Si](C)(C)C#CCCNC(=O)CSc1n[nH]c(=O)[n-]1	ZINC000912329183	636547668	/nfs/dbraw/zinc/54/76/68/636547668.db2.gz	BRGJFBIMTWHIAI-UHFFFAOYSA-N	-1	0	298.444	0.990	20	30		CCEDRM
CCN(CCC#N)S(=O)(=O)N1CCC[C@@H](C(=O)[O-])C1	ZINC000225593707	636953443	/nfs/dbraw/zinc/95/34/43/636953443.db2.gz	RMDMMBZXYKGQMQ-SNVBAGLBSA-N	-1	0	289.357	0.263	20	30		CCEDRM
C#CC[C@@H](NC(=O)COCc1ccccc1)C(=O)[O-]	ZINC000059903536	637028829	/nfs/dbraw/zinc/02/88/29/637028829.db2.gz	WIMBXHVJJGTPAP-GFCCVEGCSA-N	-1	0	261.277	0.796	20	30		CCEDRM
CNC(=O)c1cccc(C(=O)[N-]S(C)(=O)=O)c1	ZINC000076758600	637053989	/nfs/dbraw/zinc/05/39/89/637053989.db2.gz	SKTXVTUGTVBSDL-UHFFFAOYSA-N	-1	0	256.283	0.310	20	30		CCEDRM
CCO[C@H](C)C(=O)[N-]S(=O)(=O)Cc1cccc(C#N)c1	ZINC000171499955	637133928	/nfs/dbraw/zinc/13/39/28/637133928.db2.gz	YBPPQLBXZPFWBB-SNVBAGLBSA-N	-1	0	296.348	0.929	20	30		CCEDRM
C#CC[C@H](NC(=O)COCC(F)(F)F)C(=O)[O-]	ZINC000232325334	637254331	/nfs/dbraw/zinc/25/43/31/637254331.db2.gz	PBHPGJBUJSOMCO-LURJTMIESA-N	-1	0	253.176	0.158	20	30		CCEDRM
N#Cc1cccc(O[N-]C(=O)CC2(O)CCOCC2)c1	ZINC000913667197	637402923	/nfs/dbraw/zinc/40/29/23/637402923.db2.gz	ZCMSTYKVXUATPB-UHFFFAOYSA-N	-1	0	276.292	0.900	20	30		CCEDRM
O=[N+]([O-])c1ccc([O-])c(C=NN[C@@H]2CCS(=O)(=O)C2)c1	ZINC000916240201	637893853	/nfs/dbraw/zinc/89/38/53/637893853.db2.gz	XNFMMCHXRPSGOA-SECBINFHSA-N	-1	0	299.308	0.411	20	30		CCEDRM
Cc1nnc(NN=Cc2cc3c(cc2O)OCO3)[n-]c1=O	ZINC000920364261	638135613	/nfs/dbraw/zinc/13/56/13/638135613.db2.gz	SIFQNRDIDQVVQC-UHFFFAOYSA-N	-1	0	289.251	0.766	20	30		CCEDRM
CCOCCCC(=O)[N-]S(=O)(=O)CCCC#N	ZINC000181291694	638333647	/nfs/dbraw/zinc/33/36/47/638333647.db2.gz	PJYBQJCGTBRCIA-UHFFFAOYSA-N	-1	0	262.331	0.553	20	30		CCEDRM
N#C[C@@]1(C(=O)NCCSCC(=O)[O-])CCCOC1	ZINC000923066357	640014017	/nfs/dbraw/zinc/01/40/17/640014017.db2.gz	ZGLJZZUJUQXBEA-NSHDSACASA-N	-1	0	272.326	0.241	20	30		CCEDRM
C[C@H](CCC(=O)[O-])NC(=O)[C@@]1(C#N)CCCOC1	ZINC000923070807	640016141	/nfs/dbraw/zinc/01/61/41/640016141.db2.gz	XFTNOGUSOHMUHM-BXKDBHETSA-N	-1	0	254.286	0.676	20	30		CCEDRM
C[C@@H]1CN(C(=O)C2(C#N)CC3(CC3)C2)C[C@@H](C(=O)[O-])O1	ZINC000923098282	640020740	/nfs/dbraw/zinc/02/07/40/640020740.db2.gz	IGINWNXASIHDJU-ZJUUUORDSA-N	-1	0	278.308	0.771	20	30		CCEDRM
C[C@@]1(C(=O)[O-])CN(C(=O)[C@@]2(C#N)CCCOC2)CCO1	ZINC000923102580	640022359	/nfs/dbraw/zinc/02/23/59/640022359.db2.gz	XPQREQOLECWTHJ-QWHCGFSZSA-N	-1	0	282.296	0.009	20	30		CCEDRM
Cc1oc(C#N)cc1C(=O)[N-]S(=O)(=O)c1cnccn1	ZINC000797954632	640471719	/nfs/dbraw/zinc/47/17/19/640471719.db2.gz	XVPFPJZZVZVZLY-UHFFFAOYSA-N	-1	0	292.276	0.368	20	30		CCEDRM
Cn1nncc1C([O-])=C(C#N)C(=O)NCc1ccccc1	ZINC000798816297	640529338	/nfs/dbraw/zinc/52/93/38/640529338.db2.gz	JNLPUGDSFKECQV-LLVKDONJSA-N	-1	0	283.291	0.454	20	30		CCEDRM
C[C@@H]1C[C@H](C)[C@H](C(=O)[N-]S(=O)(=O)CC(C)(C)C#N)O1	ZINC000800403499	640611474	/nfs/dbraw/zinc/61/14/74/640611474.db2.gz	KUTNTDSNMTVMMY-IVZWLZJFSA-N	-1	0	288.369	0.796	20	30		CCEDRM
Cn1cc(C([O-])=C(C#N)C(=O)NCc2ccccc2)nn1	ZINC000808979906	640882699	/nfs/dbraw/zinc/88/26/99/640882699.db2.gz	OUAJKBABGPMXJX-LLVKDONJSA-N	-1	0	283.291	0.454	20	30		CCEDRM
N#CC(C(=O)NC1CCCC1)=C([O-])c1cc2n(n1)CCO2	ZINC000810537441	640936633	/nfs/dbraw/zinc/93/66/33/640936633.db2.gz	SXMVTDAEGXRYIO-JTQLQIEISA-N	-1	0	288.307	0.657	20	30		CCEDRM
CC#CCS(=O)(=O)[N-]C(=O)C1CC(OCC)C1	ZINC000810772008	640948681	/nfs/dbraw/zinc/94/86/81/640948681.db2.gz	YZPQTPDSGNWCOG-UHFFFAOYSA-N	-1	0	259.327	0.271	20	30		CCEDRM
CC#CCS(=O)(=O)[N-]C(=O)C(F)(F)C1CCOCC1	ZINC000810775155	640949305	/nfs/dbraw/zinc/94/93/05/640949305.db2.gz	YSCZFRMZDAURHQ-UHFFFAOYSA-N	-1	0	295.307	0.518	20	30		CCEDRM
O=c1[n-][nH]c(=O)n1N=Cc1cc(-c2ccccc2)n[nH]1	ZINC000814232540	641062196	/nfs/dbraw/zinc/06/21/96/641062196.db2.gz	AUOJUVXHAQSVHW-UHFFFAOYSA-N	-1	0	270.252	0.962	20	30		CCEDRM
O=c1[n-][nH]c(=O)n1N=Cc1ccc(Br)nc1	ZINC000814233713	641062579	/nfs/dbraw/zinc/06/25/79/641062579.db2.gz	DKQTTWBRLKGUPZ-UHFFFAOYSA-N	-1	0	284.073	0.729	20	30		CCEDRM
NS(=O)(=O)c1ccc(N=NC2CC(C(=O)[O-])C2)cc1	ZINC000814680688	641074040	/nfs/dbraw/zinc/07/40/40/641074040.db2.gz	DUMUHGQRFPZSFF-UHFFFAOYSA-N	-1	0	283.309	0.597	20	30		CCEDRM
Cc1nnc(NN=Cc2ccccc2-n2cncn2)[n-]c1=O	ZINC000814735123	641075773	/nfs/dbraw/zinc/07/57/73/641075773.db2.gz	RFOSPWREOUTWOY-UHFFFAOYSA-N	-1	0	296.294	0.912	20	30		CCEDRM
Cn1ncc2c1nc(N=NC[C@H]1CCCOC1)[n-]c2=O	ZINC000814848276	641078342	/nfs/dbraw/zinc/07/83/42/641078342.db2.gz	RMXMQGPSYMZYJX-MRVPVSSYSA-N	-1	0	276.300	0.893	20	30		CCEDRM
O=C([O-])c1ccc(N=NC2COCCOC2)nc1	ZINC000814890576	641080619	/nfs/dbraw/zinc/08/06/19/641080619.db2.gz	SNILLQCLLYBSSV-UHFFFAOYSA-N	-1	0	251.242	0.595	20	30		CCEDRM
C[C@@H](O)CNN=Cc1cccc(O[C@@H](C)C(=O)[O-])c1	ZINC000814963609	641085608	/nfs/dbraw/zinc/08/56/08/641085608.db2.gz	NSUURUNPIXIJSH-ZJUUUORDSA-N	-1	0	266.297	0.843	20	30		CCEDRM
O=C(NCC#CCO)c1n[n-]c2ccccc2c1=O	ZINC000816536681	641171654	/nfs/dbraw/zinc/17/16/54/641171654.db2.gz	GUWLPUFQGHODJD-UHFFFAOYSA-N	-1	0	257.249	0.061	20	30		CCEDRM
O=C(N[C@@H]1CCN(O)C1=O)[C@H]1CC12CCSCC2	ZINC000820138225	641469129	/nfs/dbraw/zinc/46/91/29/641469129.db2.gz	XULZQOPNQKVJHM-RKDXNWHRSA-N	-1	0	270.354	0.626	20	30		CCEDRM
C[C@@](C#N)(CC(=O)[O-])C(=O)N1CCC[C@](C)(O)C1	ZINC000820215328	641484392	/nfs/dbraw/zinc/48/43/92/641484392.db2.gz	SCPFJZYCCXUESV-RYUDHWBXSA-N	-1	0	254.286	0.364	20	30		CCEDRM
Cn1c([O-])c(C(=O)/C=C\c2cccnc2)c(=O)n(C)c1=O	ZINC000821012224	641555332	/nfs/dbraw/zinc/55/53/32/641555332.db2.gz	FXWQMGWHLOCUIF-WAYWQWQTSA-N	-1	0	287.275	0.081	20	30		CCEDRM
N#CCCS(=O)(=O)[N-]C(=O)c1ccc2nsnc2c1	ZINC000821583932	641611770	/nfs/dbraw/zinc/61/17/70/641611770.db2.gz	MAUQBABVCFESBW-UHFFFAOYSA-N	-1	0	296.333	0.665	20	30		CCEDRM
C#CC1CCN(C(=O)c2cccc(-n3[n-]nnc3=N)c2)CC1	ZINC000824035906	641799384	/nfs/dbraw/zinc/79/93/84/641799384.db2.gz	DOBHONREEFIOCI-UHFFFAOYSA-N	-1	0	296.334	0.560	20	30		CCEDRM
C#CCO[C@@H](C)C(=O)[N-]S(=O)(=O)c1ccc(C)s1	ZINC000835033159	642646101	/nfs/dbraw/zinc/64/61/01/642646101.db2.gz	POGCFMZEAOMYGV-VIFPVBQESA-N	-1	0	287.362	0.900	20	30		CCEDRM
C[C@@H](CC#N)N(C)S(=O)(=O)N(CCC(=O)[O-])C1CC1	ZINC000844791876	643248303	/nfs/dbraw/zinc/24/83/03/643248303.db2.gz	OEHOVFUPVFJTBI-VIFPVBQESA-N	-1	0	289.357	0.404	20	30		CCEDRM
C#Cc1ccc(CNC(=O)NCC(=O)[N-]OCC)cc1	ZINC000845530906	643326511	/nfs/dbraw/zinc/32/65/11/643326511.db2.gz	URVGPADLZXXVIH-UHFFFAOYSA-N	-1	0	275.308	0.535	20	30		CCEDRM
Cc1nc(S(=O)(=O)[N-]C(=O)CCCCC#N)cn1C	ZINC000847729249	643551645	/nfs/dbraw/zinc/55/16/45/643551645.db2.gz	SVYZNFFEXQKHER-UHFFFAOYSA-N	-1	0	284.341	0.617	20	30		CCEDRM
C[C@H](CNC(=O)NCCNc1ccc(C#N)cn1)C(=O)[O-]	ZINC000848575799	643652844	/nfs/dbraw/zinc/65/28/44/643652844.db2.gz	BNMKHPXAUFLMOG-SECBINFHSA-N	-1	0	291.311	0.385	20	30		CCEDRM
C[C@@]1(C#N)CCN(C(=O)C(=O)N2CC[C@@](C)(C(=O)[O-])C2)C1	ZINC000852915013	644056987	/nfs/dbraw/zinc/05/69/87/644056987.db2.gz	NEQHJXKFVXZQTP-UONOGXRCSA-N	-1	0	293.323	0.072	20	30		CCEDRM
N#CC1(CS(=O)(=O)N[C@@H]2CC=C(C(=O)[O-])C2)CC1	ZINC000853070126	644072201	/nfs/dbraw/zinc/07/22/01/644072201.db2.gz	UVCMPXKGYYVLBZ-SECBINFHSA-N	-1	0	270.310	0.383	20	30		CCEDRM
O=C([O-])C=NNCc1ccc(O[C@@H]2CCOC2)cc1	ZINC000853350860	644100795	/nfs/dbraw/zinc/10/07/95/644100795.db2.gz	PNBYSMPOUFMZGE-GFCCVEGCSA-N	-1	0	264.281	0.862	20	30		CCEDRM
N#C[C@@H](CO)[N-]C(=O)C(F)(F)c1ccc(F)cc1	ZINC000854872636	644268925	/nfs/dbraw/zinc/26/89/25/644268925.db2.gz	MICALIGPOVMSDI-VIFPVBQESA-N	-1	0	258.199	0.918	20	30		CCEDRM
N#CCOc1ccc(CNC(=O)N2CC(C(=O)[O-])C2)cc1	ZINC000857096576	644461560	/nfs/dbraw/zinc/46/15/60/644461560.db2.gz	CUKFUJACMRPYFE-UHFFFAOYSA-N	-1	0	289.291	0.815	20	30		CCEDRM
C[C@H]1C(=O)N(N=Cc2ccc([O-])c([N+](=O)[O-])c2)C(=O)N1C	ZINC000857217748	644483302	/nfs/dbraw/zinc/48/33/02/644483302.db2.gz	WYPXNWJFEJYTFR-ZETCQYMHSA-N	-1	0	292.251	0.917	20	30		CCEDRM
C[C@H]1O[C@@H](C)[C@@H](C)[C@H]1C(=O)[N-]S(=O)(=O)CCC#N	ZINC000860753497	644827430	/nfs/dbraw/zinc/82/74/30/644827430.db2.gz	YEKBZFJFWUTOQB-UTINFBMNSA-N	-1	0	274.342	0.406	20	30		CCEDRM
CC(=O)C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)[O-]	ZINC000863410958	645092212	/nfs/dbraw/zinc/09/22/12/645092212.db2.gz	PLFNTVIXKRXJDT-LLVKDONJSA-N	-1	0	296.304	0.269	20	30		CCEDRM
CC(=O)C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)[O-]	ZINC000863410959	645092687	/nfs/dbraw/zinc/09/26/87/645092687.db2.gz	PLFNTVIXKRXJDT-NSHDSACASA-N	-1	0	296.304	0.269	20	30		CCEDRM
Cc1cc(C#N)nc(N2CC(C[N-]C(=O)C(F)(F)F)C2)n1	ZINC000866294580	645515043	/nfs/dbraw/zinc/51/50/43/645515043.db2.gz	SLIUOYRSFJDXSI-UHFFFAOYSA-N	-1	0	299.256	0.771	20	30		CCEDRM
C[C@@H](C(=O)[O-])C(=O)N1CCN(c2ccc(C#N)cc2)CC1	ZINC000868452682	645772046	/nfs/dbraw/zinc/77/20/46/645772046.db2.gz	OROVJFZWIDDGIW-LLVKDONJSA-N	-1	0	287.319	0.928	20	30		CCEDRM
C[C@@H](C(=O)[O-])C(=O)N[C@@H]1Cc2ccc(C#N)cc2C1	ZINC000868466448	645772648	/nfs/dbraw/zinc/77/26/48/645772648.db2.gz	UQCDMXRSRUGUFC-PRHODGIISA-N	-1	0	258.277	0.862	20	30		CCEDRM
C[C@@H]1C[C@@H](C(=O)[N-]S(=O)(=O)CC2(C#N)CC2)[C@H](C)O1	ZINC000870281180	645978059	/nfs/dbraw/zinc/97/80/59/645978059.db2.gz	FHGQYYZWJPUTKM-KXUCPTDWSA-N	-1	0	286.353	0.550	20	30		CCEDRM
CC#CCS(=O)(=O)[N-]C(=O)c1ccnn1CC1CCC1	ZINC000870329883	645983524	/nfs/dbraw/zinc/98/35/24/645983524.db2.gz	NWBYZVUSWHEPAL-UHFFFAOYSA-N	-1	0	295.364	0.766	20	30		CCEDRM
N#Cc1cccc(ONC(=O)[C@H]2CCNC(=O)CC2)c1	ZINC000870690788	646017719	/nfs/dbraw/zinc/01/77/19/646017719.db2.gz	UOKQCDBEIBTXFG-LLVKDONJSA-N	-1	0	273.292	0.885	20	30		CCEDRM
CC#CC[C@H](NS(=O)(=O)CC[C@@H]1CCOC1)C(=O)[O-]	ZINC000871652246	646162756	/nfs/dbraw/zinc/16/27/56/646162756.db2.gz	GXVAKYFTDYZANX-QWRGUYRKSA-N	-1	0	289.353	0.199	20	30		CCEDRM
CS(=O)(=O)CCNN=C1CCc2cccc(C(=O)[O-])c21	ZINC000872352600	646250000	/nfs/dbraw/zinc/25/00/00/646250000.db2.gz	ZIPPBKOJIINLJU-UHFFFAOYSA-N	-1	0	296.348	0.669	20	30		CCEDRM
N#Cc1cn(CC(=O)N2CCCCCCC2)c(=O)[n-]c1=O	ZINC000873887150	646409069	/nfs/dbraw/zinc/40/90/69/646409069.db2.gz	ZCIDDJOXVCNVAC-UHFFFAOYSA-N	-1	0	290.323	0.613	20	30		CCEDRM
N#Cc1ncn(CC(=O)[N-]OCc2ccccc2)c1C#N	ZINC000126619569	646829576	/nfs/dbraw/zinc/82/95/76/646829576.db2.gz	QVDDBDIYMILVPJ-UHFFFAOYSA-N	-1	0	281.275	0.874	20	30		CCEDRM
Cc1[nH]nc(C(=O)N2CCC3(CC2)CC(=O)C=CO3)c1[O-]	ZINC000887776333	648152770	/nfs/dbraw/zinc/15/27/70/648152770.db2.gz	CNZFSQQGPTWTPG-UHFFFAOYSA-N	-1	0	291.307	0.902	20	30		CCEDRM
C=CCN(CC(=O)[O-])C(=O)CNC(=O)CC(C)(C)C	ZINC000191251958	649470304	/nfs/dbraw/zinc/47/03/04/649470304.db2.gz	UNYZLIMXWZNCSV-UHFFFAOYSA-N	-1	0	270.329	0.638	20	30		CCEDRM
C=CCN(CC(=O)[O-])C(=O)c1ccc(-n2cnnc2)cc1	ZINC000191268174	649470531	/nfs/dbraw/zinc/47/05/31/649470531.db2.gz	USXNHGBILOJWAD-UHFFFAOYSA-N	-1	0	286.291	0.980	20	30		CCEDRM
COCCNC(=O)C(C#N)=C([O-])c1cccc(CC#N)c1	ZINC000193426881	649538289	/nfs/dbraw/zinc/53/82/89/649538289.db2.gz	DDZAUUBOTIJJFI-ZDUSSCGKSA-N	-1	0	285.303	0.838	20	30		CCEDRM
N#Cc1ccc(N2CCOC[C@H]2C(=O)[O-])c(F)c1	ZINC000088377186	649639327	/nfs/dbraw/zinc/63/93/27/649639327.db2.gz	MNXVSMCIRMKBOB-NSHDSACASA-N	-1	0	250.229	0.987	20	30		CCEDRM
C#C[C@H](C)NS(=O)(=O)c1cccc(C(=O)[O-])c1	ZINC000122975288	958490934	/nfs/dbraw/zinc/49/09/34/958490934.db2.gz	HHYFWPSDPHAYAZ-QMMMGPOBSA-N	-1	0	253.279	0.685	20	30		CCEDRM
CC[C@H](C#CC(=O)OC)Oc1nc(Cl)[n-]c(=O)n1	ZINC001230241143	805586672	/nfs/dbraw/zinc/58/66/72/805586672.db2.gz	VRSLOMDOXJFGSZ-ZCFIWIBFSA-N	-1	0	271.660	0.564	20	30		CCEDRM
C#CC1CCN(S(=O)(=O)c2cc(C(=O)[O-])n(C)c2)CC1	ZINC000692301831	791076406	/nfs/dbraw/zinc/07/64/06/791076406.db2.gz	YSLKKRMYKKJCMX-UHFFFAOYSA-N	-1	0	296.348	0.757	20	30		CCEDRM
N#Cc1ccc2ccc(OC(=O)[C@@H](O)CC(=O)[O-])nc2c1	ZINC001231371364	805784796	/nfs/dbraw/zinc/78/47/96/805784796.db2.gz	UFMVYLBHROOPJY-NSHDSACASA-N	-1	0	286.243	0.847	20	30		CCEDRM
N#C[C@@H]1CN(Cc2ccccc2OCC(=O)[O-])CCO1	ZINC001231796548	805856105	/nfs/dbraw/zinc/85/61/05/805856105.db2.gz	KJRYYFVXVHWFLQ-GFCCVEGCSA-N	-1	0	276.292	0.874	20	30		CCEDRM
N#CCc1nc(Cl)cc(N[C@@H]2CO[N-]C2=O)n1	ZINC001167511277	791498511	/nfs/dbraw/zinc/49/85/11/791498511.db2.gz	ZOJKXRCEWMKNHU-RXMQYKEDSA-N	-1	0	253.649	0.038	20	30		CCEDRM
C=CCOc1ccc(N[C@@H]2CO[N-]C2=O)nc1C#N	ZINC001167513969	791500596	/nfs/dbraw/zinc/50/05/96/791500596.db2.gz	QXZJQFDBUWXWDB-SECBINFHSA-N	-1	0	260.253	0.360	20	30		CCEDRM
N#Cc1c(F)c(F)c(N[C@@H]2CO[N-]C2=O)c(F)c1F	ZINC001167519165	791506420	/nfs/dbraw/zinc/50/64/20/791506420.db2.gz	HLQLFJACFLEGKJ-SCSAIBSYSA-N	-1	0	275.161	0.957	20	30		CCEDRM
COC(=O)[C@H](CS)Nc1cncc(C(=O)[O-])n1	ZINC001167618833	791637902	/nfs/dbraw/zinc/63/79/02/791637902.db2.gz	RIUDEZFIFQBVTC-LURJTMIESA-N	-1	0	257.271	0.058	20	30		CCEDRM
COC(=O)c1ccc(OC(=O)[C@@H](O)CC(=O)[O-])c(C#N)c1	ZINC001233628170	806097606	/nfs/dbraw/zinc/09/76/06/806097606.db2.gz	LGQZFVSSSJLFOO-VIFPVBQESA-N	-1	0	293.231	0.086	20	30		CCEDRM
CCC1=C(Oc2[nH]c(=O)nc3cn[n-]c32)C(=O)[C@H](C)O1	ZINC001233939762	806151679	/nfs/dbraw/zinc/15/16/79/806151679.db2.gz	OJTAAMBLNVGWFR-YFKPBYRVSA-N	-1	0	276.252	0.634	20	30		CCEDRM
CCC[C@H](C)N(C)c1[n-]c(=O)n(C)c(=O)c1C#N	ZINC001120803881	798941119	/nfs/dbraw/zinc/94/11/19/798941119.db2.gz	AHLQAGBJQWQBLZ-QMMMGPOBSA-N	-1	0	250.302	0.570	20	30		CCEDRM
Cn1c(=O)[n-]c(NCCC(F)(F)F)c(C#N)c1=O	ZINC001120900653	798958738	/nfs/dbraw/zinc/95/87/38/798958738.db2.gz	BNSQVXAEVLKKGZ-UHFFFAOYSA-N	-1	0	262.191	0.310	20	30		CCEDRM
C#CC[C@H]1CCN(c2nc3c(nc([O-])n(C)c3=O)[nH]2)C1	ZINC001120958479	798968879	/nfs/dbraw/zinc/96/88/79/798968879.db2.gz	UTFDJPOBRMCFLX-QMMMGPOBSA-N	-1	0	273.296	0.212	20	30		CCEDRM
C#CCOCCNC(=O)N1C[C@H](C(=O)[O-])CC[C@H]1C	ZINC001121816431	799072906	/nfs/dbraw/zinc/07/29/06/799072906.db2.gz	BYBIPPJWRZDZLZ-GHMZBOCLSA-N	-1	0	268.313	0.531	20	30		CCEDRM
C=CCNC(=O)C(C#N)=C([O-])c1coc(S(C)(=O)=O)c1	ZINC001122424743	799231803	/nfs/dbraw/zinc/23/18/03/799231803.db2.gz	VQQKDBNHJYFCMJ-SECBINFHSA-N	-1	0	296.304	0.308	20	30		CCEDRM
COCCNC(=O)C(C#N)=C([O-])c1cc(Cl)n(C)n1	ZINC001122449150	799238149	/nfs/dbraw/zinc/23/81/49/799238149.db2.gz	QBYZXMMSPFTYJX-ZETCQYMHSA-N	-1	0	284.703	0.159	20	30		CCEDRM
Cn1cncc1C([O-])=C(C#N)C(=O)NC1CCCC1	ZINC001122471359	799242538	/nfs/dbraw/zinc/24/25/38/799242538.db2.gz	CGXATEMMTQYUCQ-SNVBAGLBSA-N	-1	0	260.297	0.801	20	30		CCEDRM
C=CCNC(=O)C(C#N)=C([O-])c1cnn2c1nc(C)cc2C	ZINC001122624380	799276261	/nfs/dbraw/zinc/27/62/61/799276261.db2.gz	APYKQOKSNWQXEB-NSHDSACASA-N	-1	0	297.318	0.971	20	30		CCEDRM
C=CCOC[C@H](NC(=O)[C@@H]1C[C@H]1c1ccncc1)C(=O)[O-]	ZINC001123280589	799382905	/nfs/dbraw/zinc/38/29/05/799382905.db2.gz	WVUXUARZHVUTMY-XQQFMLRXSA-N	-1	0	290.319	0.957	20	30		CCEDRM
CC(C)(C#N)C(=O)NC[C@H](C(=O)[O-])[C@H]1CCOC1	ZINC001123297343	799385741	/nfs/dbraw/zinc/38/57/41/799385741.db2.gz	NVCSZAUCFCLSNP-IUCAKERBSA-N	-1	0	254.286	0.390	20	30		CCEDRM
C=CCCC[C@H](C)NC(=O)Cn1c(=O)[n-][nH]c1=O	ZINC001137810537	799689046	/nfs/dbraw/zinc/68/90/46/799689046.db2.gz	PWXFBDIDUSWARW-QMMMGPOBSA-N	-1	0	254.290	0.550	20	30		CCEDRM
Nc1c(F)cccc1C(=O)N[C@@H]1CCN(O)C1=O	ZINC001141380339	800003249	/nfs/dbraw/zinc/00/32/49/800003249.db2.gz	MNEAMQNERADZIO-MRVPVSSYSA-N	-1	0	253.233	0.128	20	30		CCEDRM
C[C@H](C#N)CN(C)C(=O)CCCn1c(=O)[n-][nH]c1=O	ZINC001142056779	800063384	/nfs/dbraw/zinc/06/33/84/800063384.db2.gz	CQQVEKNIHFPHLX-MRVPVSSYSA-N	-1	0	267.289	0.088	20	30		CCEDRM
O=C(C#Cc1ccccc1)N[C@@H]1SC(=O)[N-]C1=O	ZINC001142861355	800167824	/nfs/dbraw/zinc/16/78/24/800167824.db2.gz	LKGNUTFUERCXIP-LLVKDONJSA-N	-1	0	260.274	0.463	20	30		CCEDRM
C=CC[C@@H](NC(=O)NCCOCC(F)F)C(=O)[O-]	ZINC000236434467	800271852	/nfs/dbraw/zinc/27/18/52/800271852.db2.gz	YEVGBTBSBPRNSY-SSDOTTSWSA-N	-1	0	266.244	0.597	20	30		CCEDRM
CC(=O)c1cn(CC(=O)[N-]Oc2cccc(C#N)c2)nn1	ZINC001151431909	800425093	/nfs/dbraw/zinc/42/50/93/800425093.db2.gz	JVMAKEKEKTZUMU-UHFFFAOYSA-N	-1	0	285.263	0.463	20	30		CCEDRM
C#CCOc1ccccc1NC(=O)CCc1nnn[n-]1	ZINC001154541957	800797001	/nfs/dbraw/zinc/79/70/01/800797001.db2.gz	VZDKUQYHTQKIPW-UHFFFAOYSA-N	-1	0	271.280	0.783	20	30		CCEDRM
C=C[C@](C)(O)CC(=O)NCCc1n[n-]c(=S)o1	ZINC001154900944	800865250	/nfs/dbraw/zinc/86/52/50/800865250.db2.gz	MHICMLFNWPRYSP-JTQLQIEISA-N	-1	0	257.315	0.344	20	30		CCEDRM
C#C[C@H](C)NC(=O)c1cccc(-c2nc(=O)o[n-]2)c1	ZINC001155139751	800917160	/nfs/dbraw/zinc/91/71/60/800917160.db2.gz	IMDVUWCRLHJZTP-QMMMGPOBSA-N	-1	0	257.249	0.781	20	30		CCEDRM
N#Cc1c[nH]c2nc(N[C@H]3SC(=O)[N-]C3=O)ncc12	ZINC001155842039	801063535	/nfs/dbraw/zinc/06/35/35/801063535.db2.gz	IXLRSMGRIBCWOE-QMMMGPOBSA-N	-1	0	274.265	0.551	20	30		CCEDRM
C#C[C@H](C)N(C)C(=O)c1cccc(-n2[n-]nnc2=N)c1	ZINC001156189477	801125604	/nfs/dbraw/zinc/12/56/04/801125604.db2.gz	ABIZJMVOZNINQO-VIFPVBQESA-N	-1	0	270.296	0.169	20	30		CCEDRM
Cc1nc(NCC[N-]C(=O)C(F)(F)F)cnc1C#N	ZINC001156203612	801129274	/nfs/dbraw/zinc/12/92/74/801129274.db2.gz	SYQAXIQOIVKYJH-UHFFFAOYSA-N	-1	0	273.218	0.747	20	30		CCEDRM
Cc1cc(C#N)c(=O)[n-]c1C(=O)N[C@@H]1CCCN(O)C1=O	ZINC001159642672	801841482	/nfs/dbraw/zinc/84/14/82/801841482.db2.gz	ZJPPLQRMYLFQNK-SECBINFHSA-N	-1	0	290.279	0.077	20	30		CCEDRM
N#Cc1cnc([N-]c2nccnc2CN)c(C#N)c1	ZINC001160245783	801922964	/nfs/dbraw/zinc/92/29/64/801922964.db2.gz	GJMOFICJOMPSEK-UHFFFAOYSA-N	-1	0	251.253	0.817	20	30		CCEDRM
C=CCO[N-]C(=O)CNS(=O)(=O)c1cccc(C#N)c1	ZINC001161333290	802131476	/nfs/dbraw/zinc/13/14/76/802131476.db2.gz	MROGPJLLVGUUDX-UHFFFAOYSA-N	-1	0	295.320	0.070	20	30		CCEDRM
O=C(/C=C/[N-]S(=O)(=O)C(F)F)C(F)(F)F	ZINC001259961465	808825048	/nfs/dbraw/zinc/82/50/48/808825048.db2.gz	JQVNPEWPGAPODU-OWOJBTEDSA-N	-1	0	253.148	0.774	20	30		CCEDRM
CSc1ncc(C#N)c(N[C@H]2SC(=O)[N-]C2=O)n1	ZINC001163661975	802584201	/nfs/dbraw/zinc/58/42/01/802584201.db2.gz	IESVHAXGVHQJRV-ZETCQYMHSA-N	-1	0	281.322	0.213	20	30		CCEDRM
COc1nc(N2CCOCC2)nc(=NC(C)=CC(C)=O)[n-]1	ZINC001163736886	802601610	/nfs/dbraw/zinc/60/16/10/802601610.db2.gz	IPIXKYTXFCMJRU-HJWRWDBZSA-N	-1	0	293.327	0.043	20	30		CCEDRM
N#Cc1nc(NCC[N-]C(=O)C(F)(F)F)cc2nc[nH]c21	ZINC001164238597	802694271	/nfs/dbraw/zinc/69/42/71/802694271.db2.gz	YHQXEPUDPCCLQL-UHFFFAOYSA-N	-1	0	298.228	0.920	20	30		CCEDRM
N#Cc1ccc(C(=O)COC(=O)[C@@H](O)CC(=O)[O-])cc1	ZINC001206491863	803253256	/nfs/dbraw/zinc/25/32/56/803253256.db2.gz	LUHSWLZUHFYHAG-JTQLQIEISA-N	-1	0	277.232	0.120	20	30		CCEDRM
C#CCC[N-]S(=O)(=O)c1ncccc1[N+](=O)[O-]	ZINC001209611803	803617466	/nfs/dbraw/zinc/61/74/66/803617466.db2.gz	LINSUFGBBNKWSO-UHFFFAOYSA-N	-1	0	255.255	0.291	20	30		CCEDRM
CC(C)n1ccc(NC(=N[O-])c2nonc2N)n1	ZINC001210336644	803648293	/nfs/dbraw/zinc/64/82/93/803648293.db2.gz	QQCOXCSZIRNQSZ-UHFFFAOYSA-N	-1	0	251.250	0.677	20	30		CCEDRM
COc1cc(N)n(-c2ccc([O-])c(C#N)c2)c(=N)n1	ZINC001210526733	803653257	/nfs/dbraw/zinc/65/32/57/803653257.db2.gz	JJHQDJMHNTXCGY-UHFFFAOYSA-N	-1	0	257.253	0.520	20	30		CCEDRM
CCOc1cc(N)n(-c2ccc([O-])c(C#N)c2)c(=N)n1	ZINC001210527468	803653270	/nfs/dbraw/zinc/65/32/70/803653270.db2.gz	RDTNTEDMMKAMJS-UHFFFAOYSA-N	-1	0	271.280	0.910	20	30		CCEDRM
N#Cc1cnccc1[N-]S(=O)(=O)c1cc(N)ccc1N	ZINC001214020332	803712121	/nfs/dbraw/zinc/71/21/21/803712121.db2.gz	BKVFMCUOBZUCCM-UHFFFAOYSA-N	-1	0	289.320	0.340	20	30		CCEDRM
N#Cc1ccc(C(=O)N2C[C@@H]3CC[C@H](C2)[C@H]3C(N)=O)c([O-])c1	ZINC001276864982	804955546	/nfs/dbraw/zinc/95/55/46/804955546.db2.gz	ORHNCBULVWRBDL-GNXNZQSNSA-N	-1	0	299.330	0.847	20	30		CCEDRM
C=C[C@@H](Oc1c([O-])c(=O)c(=O)c1=O)c1ccccc1	ZINC001225831870	805168625	/nfs/dbraw/zinc/16/86/25/805168625.db2.gz	DQPXFOGPPIKAPD-SECBINFHSA-N	-1	0	258.229	0.655	20	30		CCEDRM
C#C[C@@H](Oc1[nH]c(=O)ncc1C(=O)OCC)C(=O)OCC	ZINC001225899435	805175472	/nfs/dbraw/zinc/17/54/72/805175472.db2.gz	MDFARMYFZGJVAU-SECBINFHSA-N	-1	0	294.263	0.303	20	30		CCEDRM
CN1CCO[C@@H](COc2[n-]c(=O)c(F)cc2C#N)C1=O	ZINC001226009030	805185780	/nfs/dbraw/zinc/18/57/80/805185780.db2.gz	QLEZNEUWNLWLKN-VIFPVBQESA-N	-1	0	281.243	0.034	20	30		CCEDRM
CC[C@@H](C#CC(=O)OC)Oc1nc(C)cc(=O)[n-]1	ZINC001226157824	805199658	/nfs/dbraw/zinc/19/96/58/805199658.db2.gz	GFZURSZPSOXJSR-VIFPVBQESA-N	-1	0	250.254	0.824	20	30		CCEDRM
N#CCN1CC[C@@H](Oc2nc[n-]c(=O)c2Br)C1	ZINC001226721115	805271023	/nfs/dbraw/zinc/27/10/23/805271023.db2.gz	FRKSBNCRWVLAKF-SSDOTTSWSA-N	-1	0	299.128	0.921	20	30		CCEDRM
N#CCN1CC[C@@H](Oc2ccc(O)cc2S(=O)(=O)[O-])C1	ZINC001226412685	805227752	/nfs/dbraw/zinc/22/77/52/805227752.db2.gz	KHOPPFUIPZCKMP-SNVBAGLBSA-N	-1	0	298.320	0.616	20	30		CCEDRM
CCOC(=O)[C@@H](C#C[Si](C)(C)C)Oc1c([O-])c(=O)c1=O	ZINC001226604027	805253695	/nfs/dbraw/zinc/25/36/95/805253695.db2.gz	AFCKKYUFLQWROI-MRVPVSSYSA-N	-1	0	296.351	0.180	20	30		CCEDRM
C=CCOC[C@H](CS(=O)(=O)[O-])Oc1cc(C)cnn1	ZINC001226718788	805272143	/nfs/dbraw/zinc/27/21/43/805272143.db2.gz	RTUNBQQYHOREOC-SNVBAGLBSA-N	-1	0	288.325	0.623	20	30		CCEDRM
C=CCOC[C@@H](CS(=O)(=O)[O-])Oc1ccnnc1	ZINC001226911042	805296118	/nfs/dbraw/zinc/29/61/18/805296118.db2.gz	HCYWLFGQXLTKQV-JTQLQIEISA-N	-1	0	274.298	0.314	20	30		CCEDRM
CCOC(=O)C[C@@H](CC#N)Oc1[n-]c(=O)nc2nc[nH]c21	ZINC001227063900	805317115	/nfs/dbraw/zinc/31/71/15/805317115.db2.gz	INXSLQSUBBSMCW-SSDOTTSWSA-N	-1	0	291.267	0.673	20	30		CCEDRM
C=C(C)C(=O)OC[C@H](C)Oc1nc(=O)[n-]c(=O)[nH]1	ZINC001227565781	805365410	/nfs/dbraw/zinc/36/54/10/805365410.db2.gz	BTVUAEYKGIYUCD-LURJTMIESA-N	-1	0	255.230	0.169	20	30		CCEDRM
C=C[C@H](Oc1c[n-]c(C(=O)OC)cc1=O)C(=O)OC	ZINC001227787233	805388685	/nfs/dbraw/zinc/38/86/85/805388685.db2.gz	ZXGBINNZYUYPCC-VIFPVBQESA-N	-1	0	267.237	0.268	20	30		CCEDRM
N#Cc1ccc(OC(=O)[C@H](O)CCC(=O)[O-])cc1C#N	ZINC001228260193	805424607	/nfs/dbraw/zinc/42/46/07/805424607.db2.gz	PWIUWPNVZLRCMC-LLVKDONJSA-N	-1	0	274.232	0.561	20	30		CCEDRM
COc1cc(=O)[n-]c(OC2=C(C)O[C@@H](C)C2=O)n1	ZINC001228919041	805489498	/nfs/dbraw/zinc/48/94/98/805489498.db2.gz	ULZHALTXSMXGRE-YFKPBYRVSA-N	-1	0	252.226	0.789	20	30		CCEDRM
CN1[C@@H]2C[C@@H](Oc3ccccc3-c3nn[nH]n3)C[C@H]1[C@@H]1O[C@@H]12	ZINC001229954733	805568552	/nfs/dbraw/zinc/56/85/52/805568552.db2.gz	OCRUVQBEZXSBPR-LSVRBPJHSA-N	-1	0	299.334	0.858	20	30		CCEDRM
C=CCCCNC(=S)N[C@@H](CCC(=O)[O-])C(=O)OC	ZINC001247783896	807491315	/nfs/dbraw/zinc/49/13/15/807491315.db2.gz	ZWZPRINGIWJMDU-VIFPVBQESA-N	-1	0	288.369	0.823	20	30		CCEDRM
CC(C)S(=O)(=O)[N-]c1c(C#N)cnc2ccnn21	ZINC001252426690	807841538	/nfs/dbraw/zinc/84/15/38/807841538.db2.gz	FEHDOWDOVOPEFT-UHFFFAOYSA-N	-1	0	265.298	0.751	20	30		CCEDRM
C=C[C@H](O)CNc1nc[n-]c(=O)c1Br	ZINC001253573925	808081137	/nfs/dbraw/zinc/08/11/37/808081137.db2.gz	KQLREHXMVMZLLL-YFKPBYRVSA-N	-1	0	260.091	0.904	20	30		CCEDRM
Cn1ncc2c1nc(N=NCC1CCOCC1)[n-]c2=O	ZINC001253646362	808100569	/nfs/dbraw/zinc/10/05/69/808100569.db2.gz	DMBZQZVWYNYZLH-UHFFFAOYSA-N	-1	0	276.300	0.893	20	30		CCEDRM
N#CCN(C(=O)c1n[nH]c(=O)[n-]c1=O)C1CCCC1	ZINC001253871897	808157966	/nfs/dbraw/zinc/15/79/66/808157966.db2.gz	MZLYXJKRUDKSRN-UHFFFAOYSA-N	-1	0	263.257	0.191	20	30		CCEDRM
O=C([O-])Cn1cc(COS(=O)(=O)c2ccccc2)nn1	ZINC001254090484	808180555	/nfs/dbraw/zinc/18/05/55/808180555.db2.gz	NHWUTMNWLXCIBZ-UHFFFAOYSA-N	-1	0	297.292	0.268	20	30		CCEDRM
N#Cc1ccccc1S(=O)(=O)[N-]c1nnco1	ZINC001258185642	808662640	/nfs/dbraw/zinc/66/26/40/808662640.db2.gz	ZPHOQEVZBRSUIH-UHFFFAOYSA-N	-1	0	250.239	0.742	20	30		CCEDRM
Cc1cnc([N-]S(=O)(=O)c2cn(C)cn2)c(C#N)c1	ZINC001258993793	808709838	/nfs/dbraw/zinc/70/98/38/808709838.db2.gz	HYKSNIOCJKXWQX-UHFFFAOYSA-N	-1	0	277.309	0.796	20	30		CCEDRM
COC(=O)CS(=O)(=O)[N-]c1cc(F)c(C#N)cc1C	ZINC001259025858	808722779	/nfs/dbraw/zinc/72/27/79/808722779.db2.gz	CKAHOCCPFUCRHC-UHFFFAOYSA-N	-1	0	286.284	0.921	20	30		CCEDRM
CCOC(=O)[C@@H](C#N)[N-]S(=O)(=O)Cc1ccc(C)cc1	ZINC001259268375	808740901	/nfs/dbraw/zinc/74/09/01/808740901.db2.gz	JOIDCVZDUYDOLB-GFCCVEGCSA-N	-1	0	296.348	0.870	20	30		CCEDRM
COc1ncnc([N-]S(=O)(=O)c2ccccn2)c1C#N	ZINC001259282865	808748271	/nfs/dbraw/zinc/74/82/71/808748271.db2.gz	LNIRPLWBFUUBHE-UHFFFAOYSA-N	-1	0	291.292	0.553	20	30		CCEDRM
CCOC(=O)[C@H](C#N)[N-]S(=O)(=O)C1CCCC1	ZINC001259805014	808772784	/nfs/dbraw/zinc/77/27/84/808772784.db2.gz	BOVQMPYZPCPDJT-VIFPVBQESA-N	-1	0	260.315	0.304	20	30		CCEDRM
Cn1cc(S(=O)(=O)[N-]c2cncc(C#N)c2)cn1	ZINC001259820496	808775887	/nfs/dbraw/zinc/77/58/87/808775887.db2.gz	YUOUKHYQFAIQPM-UHFFFAOYSA-N	-1	0	263.282	0.488	20	30		CCEDRM
C=CCS(=O)(=O)[N-]c1cc(F)ccc1C(N)=O	ZINC001259930444	808807895	/nfs/dbraw/zinc/80/78/95/808807895.db2.gz	UVBOJWCTJYNNKK-UHFFFAOYSA-N	-1	0	258.274	0.852	20	30		CCEDRM
C=CCn1cnc2c1ncnc2[N-]S(=O)(=O)C(F)F	ZINC001259950888	808819195	/nfs/dbraw/zinc/81/91/95/808819195.db2.gz	IQJCOWGXTXXPOC-UHFFFAOYSA-N	-1	0	289.267	0.977	20	30		CCEDRM
N#Cc1cnn(-c2ccccc2)c1NS(N)(=O)=O	ZINC001260074121	808839189	/nfs/dbraw/zinc/83/91/89/808839189.db2.gz	DMLJSZIGTCQBKO-UHFFFAOYSA-N	-1	0	263.282	0.359	20	30		CCEDRM
Cc1nn(C)c(C)c1S(=O)(=O)[N-]c1nnccc1C#N	ZINC001260107312	808852527	/nfs/dbraw/zinc/85/25/27/808852527.db2.gz	YTKHFQMXYFTDMD-UHFFFAOYSA-N	-1	0	292.324	0.499	20	30		CCEDRM
C=C[C@@H]1O[C@@H](OCCS(=O)(=O)[O-])[C@H]2OC(C)(C)O[C@@H]12	ZINC001224570525	815271634	/nfs/dbraw/zinc/27/16/34/815271634.db2.gz	NPVDGYXIVZMYQQ-AATLWQCWSA-N	-1	0	294.325	0.322	20	30		CCEDRM
COCCCn1cc(C([O-])=C(C#N)C(=O)NC(C)C)cn1	ZINC001263296707	809503910	/nfs/dbraw/zinc/50/39/10/809503910.db2.gz	OEGCUZVPGISOKP-LBPRGKRZSA-N	-1	0	292.339	0.767	20	30		CCEDRM
COc1c(F)nccc1C([O-])=C(C#N)C(=O)NC1CC1	ZINC001263306940	809506765	/nfs/dbraw/zinc/50/67/65/809506765.db2.gz	NHGIWGNDSYXBLF-SECBINFHSA-N	-1	0	277.255	0.830	20	30		CCEDRM
Cn1ccnc1C(=O)C(C#N)=C([O-])c1ccc(C(N)=O)nc1	ZINC001263378926	809515685	/nfs/dbraw/zinc/51/56/85/809515685.db2.gz	WRORKALMODOTRH-VIFPVBQESA-N	-1	0	297.274	0.119	20	30		CCEDRM
C=C(C)C(=O)OC[C@H](C)OCC[P@@](=O)([O-])O	ZINC001224606336	815321688	/nfs/dbraw/zinc/32/16/88/815321688.db2.gz	ONADYXNKBISKSZ-QMMMGPOBSA-N	-1	0	252.203	0.689	20	30		CCEDRM
C=C1CCC(C(=O)N(C)CC[NH2+]Cc2n[nH]c(=O)[n-]2)CC1	ZINC001267424577	811297593	/nfs/dbraw/zinc/29/75/93/811297593.db2.gz	VHFSWQBNIKHPFK-UHFFFAOYSA-N	-1	0	293.371	0.805	20	30		CCEDRM
N#CN=C(NC([O-])=C1CCCS1(=O)=O)c1ccncc1	ZINC001143480644	811512589	/nfs/dbraw/zinc/51/25/89/811512589.db2.gz	KMRQGFCMZUFRHD-SNVBAGLBSA-N	-1	0	292.320	0.003	20	30		CCEDRM
C=CCCOCCNC(=O)N[C@@H](CC(F)F)C(=O)[O-]	ZINC000388346572	811869114	/nfs/dbraw/zinc/86/91/14/811869114.db2.gz	BAZBISOUAWJLCV-QMMMGPOBSA-N	-1	0	280.271	0.987	20	30		CCEDRM
C=CCOC[C@H](CS(=O)(=O)[O-])OCc1cc(C)no1	ZINC001222442892	811910408	/nfs/dbraw/zinc/91/04/08/811910408.db2.gz	HEKWXVLZGNFMNH-LLVKDONJSA-N	-1	0	291.325	0.959	20	30		CCEDRM
C=C(C)C(=O)OCCNc1cncc(C(=O)[O-])n1	ZINC001168070468	814539279	/nfs/dbraw/zinc/53/92/79/814539279.db2.gz	MXYXEJKVUVDOAE-UHFFFAOYSA-N	-1	0	251.242	0.706	20	30		CCEDRM
N#Cc1cnc(NC(=N)SCCS(=O)(=O)[O-])nc1	ZINC001168087339	814602286	/nfs/dbraw/zinc/60/22/86/814602286.db2.gz	DTPWQXJVPCKJNI-UHFFFAOYSA-N	-1	0	287.326	0.316	20	30		CCEDRM
C=CCOC[C@H](CS(=O)(=O)[O-])Oc1ccc(O)cn1	ZINC001228034874	814604779	/nfs/dbraw/zinc/60/47/79/814604779.db2.gz	LVHGAMNIUKXHTB-SNVBAGLBSA-N	-1	0	289.309	0.625	20	30		CCEDRM
N#CCN1CC[C@@H](Oc2[n-]ncc(=O)c2Cl)C1	ZINC001228387874	814687088	/nfs/dbraw/zinc/68/70/88/814687088.db2.gz	RPSOUXDZQIUVKI-SSDOTTSWSA-N	-1	0	254.677	0.812	20	30		CCEDRM
CC(C)(C)OC(=O)N1C[C@H](OCC(=O)[O-])C[C@H]1C#N	ZINC001225023723	815907556	/nfs/dbraw/zinc/90/75/56/815907556.db2.gz	GITJHNLARNHKSS-DTWKUNHWSA-N	-1	0	270.285	0.989	20	30		CCEDRM
C[C@@H](CS(C)(=O)=O)C(=O)Nc1cc(C#N)ccc1[O-]	ZINC000176407454	816471384	/nfs/dbraw/zinc/47/13/84/816471384.db2.gz	OTZBLPYDCDDMRY-QMMMGPOBSA-N	-1	0	282.321	0.883	20	30		CCEDRM
Cc1ccnc(C(=O)Nc2nc(C#N)c(C#N)[n-]2)n1	ZINC000352237775	817062530	/nfs/dbraw/zinc/06/25/30/817062530.db2.gz	OHVVLMHHUXSFSN-UHFFFAOYSA-N	-1	0	253.225	0.504	20	30		CCEDRM
Cc1[nH]nc(C(=O)N(C)[C@H]2CCN(CC#N)C2)c1[O-]	ZINC001033008069	818419024	/nfs/dbraw/zinc/41/90/24/818419024.db2.gz	DWYNLYSXWXKTTB-VIFPVBQESA-N	-1	0	263.301	0.094	20	30		CCEDRM
CO[C@@]1(C(=O)[O-])CCN(c2cc(C)ncc2C#N)C1	ZINC000703756599	819320412	/nfs/dbraw/zinc/32/04/12/819320412.db2.gz	BUIFVFYDKNTWDX-ZDUSSCGKSA-N	-1	0	261.281	0.942	20	30		CCEDRM
C=CCOC[C@H](NC(=O)c1c(C)cnn1C)C(=O)[O-]	ZINC001119643236	821407930	/nfs/dbraw/zinc/40/79/30/821407930.db2.gz	BGIGUVUQVWOACD-VIFPVBQESA-N	-1	0	267.285	0.114	20	30		CCEDRM
O=[N+]([O-])c1ccc([O-])c(/C=N/[C@@H]2CCS(=O)(=O)C2)c1	ZINC000005273480	837423900	/nfs/dbraw/zinc/42/39/00/837423900.db2.gz	DBGWHLJEVHVTNJ-TZZQWBKVSA-N	-1	0	284.293	0.906	20	30		CCEDRM
C=C[C@@H](CO)Nc1cc(-c2nn[nH]n2)ccc1OC	ZINC001169784833	836445747	/nfs/dbraw/zinc/44/57/47/836445747.db2.gz	VJCGZOWSPUXESL-VIFPVBQESA-N	-1	0	261.285	0.834	20	30		CCEDRM
C[C@@H](CNc1ccc(C#N)nc1)NC(=O)c1cnc[nH]c1=O	ZINC001108587248	836481256	/nfs/dbraw/zinc/48/12/56/836481256.db2.gz	TXGHEPQVZMBQRH-VIFPVBQESA-N	-1	0	298.306	0.679	20	30		CCEDRM
N#Cc1cnoc1[N-]S(=O)(=O)c1cnc(Cl)nc1	ZINC001185006395	844321468	/nfs/dbraw/zinc/32/14/68/844321468.db2.gz	ZZUAHXZWLHDENJ-UHFFFAOYSA-N	-1	0	285.672	0.790	20	30		CCEDRM
N#CCCCC(=O)[N-]S(=O)(=O)c1ncccc1F	ZINC000813091196	838674832	/nfs/dbraw/zinc/67/48/32/838674832.db2.gz	VRQMVOFOCOZEEG-UHFFFAOYSA-N	-1	0	271.273	0.719	20	30		CCEDRM
CC1=NO[C@](C)(C(=O)Nc2nc(C#N)c(C#N)[n-]2)C1	ZINC001143814468	839882911	/nfs/dbraw/zinc/88/29/11/839882911.db2.gz	FEGPMVYMASABRE-NSHDSACASA-N	-1	0	258.241	0.646	20	30		CCEDRM
CCc1[nH]cnc1C(=O)Nc1nc(C#N)c(C#N)[n-]1	ZINC001143814906	839883039	/nfs/dbraw/zinc/88/30/39/839883039.db2.gz	JVIRMGMUSYLCLZ-UHFFFAOYSA-N	-1	0	255.241	0.691	20	30		CCEDRM
Cc1oncc1S(=O)(=O)[N-]c1nnccc1C#N	ZINC001187337109	844699035	/nfs/dbraw/zinc/69/90/35/844699035.db2.gz	FWONGPQEQLPUEA-UHFFFAOYSA-N	-1	0	265.254	0.446	20	30		CCEDRM
C#CC1(NS(=O)(=O)c2ccc(F)c(C(=O)[O-])c2)CC1	ZINC001186208289	844526933	/nfs/dbraw/zinc/52/69/33/844526933.db2.gz	JLOPDJPDUHGPDR-UHFFFAOYSA-N	-1	0	283.280	0.968	20	30		CCEDRM
N#C[C@H]1CNCCN1C(=O)c1cc(=O)n(-c2ccccc2)[n-]1	ZINC001147880932	840714823	/nfs/dbraw/zinc/71/48/23/840714823.db2.gz	MFUANOISLLYHDA-LBPRGKRZSA-N	-1	0	297.318	0.103	20	30		CCEDRM
C#CC[C@H](NC(=O)c1n[nH]c2c1CCCC2)C(=O)[O-]	ZINC000713735542	841151146	/nfs/dbraw/zinc/15/11/46/841151146.db2.gz	LGPFLVJNKYPPEF-JTQLQIEISA-N	-1	0	261.281	0.495	20	30		CCEDRM
CO/N=C(\C(=O)NCCc1c(C)[nH][nH]c1=O)c1ccco1	ZINC001177355283	842564638	/nfs/dbraw/zinc/56/46/38/842564638.db2.gz	ICKATIULVSDTFQ-BOPFTXTBSA-N	-1	0	292.295	0.726	20	30		CCEDRM
C=CCCC[C@@H](NC(=O)CCc1nnn[n-]1)C(=O)OC	ZINC001177964494	842714614	/nfs/dbraw/zinc/71/46/14/842714614.db2.gz	LTBPUQQAPWMTMK-SECBINFHSA-N	-1	0	281.316	0.146	20	30		CCEDRM
CN1C[C@@H](C(=O)Nc2cc(C#N)c(F)cc2[O-])CC1=O	ZINC001178523465	842866208	/nfs/dbraw/zinc/86/62/08/842866208.db2.gz	OKUNHQGVCZIPHR-QMMMGPOBSA-N	-1	0	277.255	0.820	20	30		CCEDRM
C=C(C)C[C@H](NC(C)=O)C(=O)N[C@@H](C)c1nn(C)cc1[O-]	ZINC001179926902	843080160	/nfs/dbraw/zinc/08/01/60/843080160.db2.gz	PKTNQNJZXAXTRO-ONGXEEELSA-N	-1	0	294.355	0.774	20	30		CCEDRM
C=CCCn1cc(C(=O)N[C@H](C)c2nn(C)cc2[O-])nn1	ZINC001179925878	843080361	/nfs/dbraw/zinc/08/03/61/843080361.db2.gz	BJYIAPJPESRLIO-SECBINFHSA-N	-1	0	290.327	0.784	20	30		CCEDRM
CCOCCS(=O)(=O)[N-]c1cn(C)nc1C#N	ZINC001187250634	844688315	/nfs/dbraw/zinc/68/83/15/844688315.db2.gz	SNSISUOCZHFHIM-UHFFFAOYSA-N	-1	0	258.303	0.070	20	30		CCEDRM
Cn1cc([N-]S(=O)(=O)c2nccs2)c(C#N)n1	ZINC001187860793	844786156	/nfs/dbraw/zinc/78/61/56/844786156.db2.gz	JHQPFCCNIHQCJA-UHFFFAOYSA-N	-1	0	269.311	0.549	20	30		CCEDRM
N#Cc1cccc(C(=O)NCc2n[nH]c(=O)[n-]2)c1F	ZINC001190554472	845425728	/nfs/dbraw/zinc/42/57/28/845425728.db2.gz	FXYBKEJDTPUDKN-UHFFFAOYSA-N	-1	0	261.216	0.451	20	30		CCEDRM
CC(C)n1ncc(C#N)c1[N-]S(=O)(=O)c1ncc[nH]1	ZINC001190689836	845465957	/nfs/dbraw/zinc/46/59/57/845465957.db2.gz	CVAKFCIKDPJZPD-UHFFFAOYSA-N	-1	0	280.313	0.860	20	30		CCEDRM
N#Cc1ccc(CNS(=O)(=O)c2ncc[n-]2)cn1	ZINC001190756680	845472208	/nfs/dbraw/zinc/47/22/08/845472208.db2.gz	UJLVELLYVGMZCE-UHFFFAOYSA-N	-1	0	263.282	0.155	20	30		CCEDRM
COc1cc(C(=O)N[C@H](C#N)C(N)=O)cc(Cl)c1O	ZINC001191155930	845598690	/nfs/dbraw/zinc/59/86/90/845598690.db2.gz	QNSVZVNBKRPUIM-SSDOTTSWSA-N	-1	0	283.671	0.161	20	30		CCEDRM
N#C[C@@H]1CNCCN1C(=O)c1c([O-])ccc(F)c1F	ZINC001192741918	845897840	/nfs/dbraw/zinc/89/78/40/845897840.db2.gz	PJSQYFJAHHYKQV-SSDOTTSWSA-N	-1	0	267.235	0.608	20	30		CCEDRM
COC(=O)c1ccc(OC)nc1[N-]S(=O)(=O)CC#N	ZINC001192951738	845934428	/nfs/dbraw/zinc/93/44/28/845934428.db2.gz	PFKBWOFWDWBBPN-UHFFFAOYSA-N	-1	0	285.281	0.142	20	30		CCEDRM
Cn1ncc2ccc([N-]S(=O)(=O)CC#N)cc21	ZINC001192928610	845938638	/nfs/dbraw/zinc/93/86/38/845938638.db2.gz	GBWXDGRPWRHTPI-UHFFFAOYSA-N	-1	0	250.283	0.839	20	30		CCEDRM
N#CCS(=O)(=O)[N-]c1cnc(Br)nc1	ZINC001192934988	845940448	/nfs/dbraw/zinc/94/04/48/845940448.db2.gz	HBEBUGKCNWATQO-UHFFFAOYSA-N	-1	0	277.103	0.504	20	30		CCEDRM
COC(=O)c1ccc([N-]S(=O)(=O)CC#N)s1	ZINC001192935467	845942060	/nfs/dbraw/zinc/94/20/60/845942060.db2.gz	RXEPGSJXXNKJMU-UHFFFAOYSA-N	-1	0	260.296	0.800	20	30		CCEDRM
N#CCS(=O)(=O)[N-]c1ccnc(N2CCOCC2)c1	ZINC001192939612	845943328	/nfs/dbraw/zinc/94/33/28/845943328.db2.gz	UWKGIZOUYSHAFI-UHFFFAOYSA-N	-1	0	282.325	0.183	20	30		CCEDRM
COC(=O)[C@@H](NS(=O)(=O)CC#N)c1ccc(OC)cc1	ZINC001192987833	845946974	/nfs/dbraw/zinc/94/69/74/845946974.db2.gz	KDEUSWFSQOLHDN-NSHDSACASA-N	-1	0	298.320	0.352	20	30		CCEDRM
CONC(=O)c1ccccc1[N-]S(=O)(=O)CC#N	ZINC001192989125	845947607	/nfs/dbraw/zinc/94/76/07/845947607.db2.gz	ZZIXVOIRHCUBBM-UHFFFAOYSA-N	-1	0	269.282	0.243	20	30		CCEDRM
Cn1cc2ccc([N-]S(=O)(=O)CC#N)cc2n1	ZINC001192978941	845961054	/nfs/dbraw/zinc/96/10/54/845961054.db2.gz	PSXHFONWEFIWJK-UHFFFAOYSA-N	-1	0	250.283	0.839	20	30		CCEDRM
N#CCS(=O)(=O)[N-]c1ccc2c(c1)S(=O)(=O)C=C2	ZINC001192980155	845962552	/nfs/dbraw/zinc/96/25/52/845962552.db2.gz	DMPIFLXXHQVPGL-UHFFFAOYSA-N	-1	0	284.318	0.710	20	30		CCEDRM
CC(=O)Nc1ccc([N-]S(=O)(=O)[C@@H](C)C#N)cn1	ZINC001193105021	845978826	/nfs/dbraw/zinc/97/88/26/845978826.db2.gz	QFWWVCAGYZHBKR-ZETCQYMHSA-N	-1	0	268.298	0.694	20	30		CCEDRM
C[C@@H](C#N)S(=O)(=O)[N-]c1c(C#N)cnc2ccnn21	ZINC001193104912	845979233	/nfs/dbraw/zinc/97/92/33/845979233.db2.gz	NZELBUDNMCSGID-ZETCQYMHSA-N	-1	0	276.281	0.255	20	30		CCEDRM
C[C@H](C#N)S(=O)(=O)[N-]c1ccn2ccnc2c1	ZINC001193112435	845980894	/nfs/dbraw/zinc/98/08/94/845980894.db2.gz	TVRJQPOUUCNTJJ-MRVPVSSYSA-N	-1	0	250.283	0.988	20	30		CCEDRM
COC(=O)c1ccc([N-]S(=O)(=O)[C@@H](C)C#N)c(C#N)c1	ZINC001193162379	846009918	/nfs/dbraw/zinc/00/99/18/846009918.db2.gz	YFUODKBXQGEGBC-QMMMGPOBSA-N	-1	0	293.304	0.999	20	30		CCEDRM
N=C(c1ccccc1N)N(O)C(=O)c1cc(=O)[nH][n-]1	ZINC001193468729	846086298	/nfs/dbraw/zinc/08/62/98/846086298.db2.gz	IZZNTEWCBSLUQA-UHFFFAOYSA-N	-1	0	261.241	0.554	20	30		CCEDRM
CN1CCN(C(=O)c2ccc([O-])c(C#N)c2)CC1=O	ZINC001193493813	846093376	/nfs/dbraw/zinc/09/33/76/846093376.db2.gz	FJIQMOXPESESHQ-UHFFFAOYSA-N	-1	0	259.265	0.178	20	30		CCEDRM
Cn1ccnc1CNC(=O)c1ccc([O-])c(C#N)c1	ZINC001193495088	846093487	/nfs/dbraw/zinc/09/34/87/846093487.db2.gz	VYTWBCUPWVCDJR-UHFFFAOYSA-N	-1	0	256.265	0.927	20	30		CCEDRM
N#Cc1ncc([N-]S(=O)(=O)c2ccccc2N)cn1	ZINC001193896403	846178991	/nfs/dbraw/zinc/17/89/91/846178991.db2.gz	XCXBHQPMPUKDHV-UHFFFAOYSA-N	-1	0	275.293	0.731	20	30		CCEDRM
C=CCOC(=O)Nc1ccc(S(=O)(=O)[N-]C(N)=O)cc1	ZINC001194320227	846262933	/nfs/dbraw/zinc/26/29/33/846262933.db2.gz	XLDPUKLWWRQBSK-UHFFFAOYSA-N	-1	0	299.308	0.778	20	30		CCEDRM
C=CC[C@H](NC(=O)[C@@H]1COc2ccccc2O1)C(=O)[O-]	ZINC000159537031	846573291	/nfs/dbraw/zinc/57/32/91/846573291.db2.gz	KFNBGTZUJYMCRI-CABZTGNLSA-N	-1	0	277.276	0.972	20	30		CCEDRM
CNC(=O)C1CCN(C(=O)c2ccc(C#N)cc2[O-])CC1	ZINC001195733286	846604151	/nfs/dbraw/zinc/60/41/51/846604151.db2.gz	IDNALNOVMVVHGL-UHFFFAOYSA-N	-1	0	287.319	0.862	20	30		CCEDRM
CN1CCO[C@@H](CNC(=O)c2ccc(C#N)cc2[O-])C1	ZINC001195757319	846610843	/nfs/dbraw/zinc/61/08/43/846610843.db2.gz	ARSSAMYFDKXAOF-NSHDSACASA-N	-1	0	275.308	0.324	20	30		CCEDRM
CO[C@@H]1COCC[C@H]1NC(=O)c1ccc(C#N)cc1[O-]	ZINC001195765054	846613174	/nfs/dbraw/zinc/61/31/74/846613174.db2.gz	WFRDKSLXGYPCAR-DGCLKSJQSA-N	-1	0	276.292	0.798	20	30		CCEDRM
CCOC(=O)[C@@H](C#N)NC(=O)c1ccc(C#N)cc1[O-]	ZINC001195764713	846613741	/nfs/dbraw/zinc/61/37/41/846613741.db2.gz	OJIUHYCUDAUWQW-SNVBAGLBSA-N	-1	0	273.248	0.449	20	30		CCEDRM
N#Cc1ccc(C(=O)N2C[C@@H]3COC[C@H](C2)C3=O)c([O-])c1	ZINC001195749790	846620662	/nfs/dbraw/zinc/62/06/62/846620662.db2.gz	AJMJSPCAXAUGBT-PHIMTYICSA-N	-1	0	286.287	0.551	20	30		CCEDRM
CCOC(=O)CS(=O)(=O)[N-]c1cc(C)cnc1C#N	ZINC001195939078	846643431	/nfs/dbraw/zinc/64/34/31/846643431.db2.gz	NBFALAXMXLRKFR-UHFFFAOYSA-N	-1	0	283.309	0.567	20	30		CCEDRM
N#CCc1ccc(S(=O)(=O)[N-]c2nnc[nH]2)cc1	ZINC000081300257	846958740	/nfs/dbraw/zinc/95/87/40/846958740.db2.gz	KGKRZTAFEZKLPY-UHFFFAOYSA-N	-1	0	263.282	0.672	20	30		CCEDRM
Cc1ccc(S(=O)(=O)[N-]c2cnc(C#N)nc2)cn1	ZINC001198276453	847078422	/nfs/dbraw/zinc/07/84/22/847078422.db2.gz	OEYPPKBGPHQQDI-UHFFFAOYSA-N	-1	0	275.293	0.853	20	30		CCEDRM
Cc1ncc(S(=O)(=O)[N-]c2cncc(C#N)c2)n1C	ZINC001198353928	847101734	/nfs/dbraw/zinc/10/17/34/847101734.db2.gz	BQDPGHNXIAULEZ-UHFFFAOYSA-N	-1	0	277.309	0.796	20	30		CCEDRM
C#CCN1CCN(C(=O)c2oc(C(=O)[O-])cc2C)CC1	ZINC000717258150	848184445	/nfs/dbraw/zinc/18/44/45/848184445.db2.gz	YLQIZCCRSOCXNG-UHFFFAOYSA-N	-1	0	276.292	0.677	20	30		CCEDRM
C=C[C@@H](CO)NS(=O)(=O)c1ccc(F)c(C(=O)[O-])c1	ZINC000717438254	848370643	/nfs/dbraw/zinc/37/06/43/848370643.db2.gz	XOYXLQVYILXLSL-ZETCQYMHSA-N	-1	0	289.284	0.349	20	30		CCEDRM
NC(=O)c1[nH]nc2c1CN(C(=O)CCC(=O)C1=CC=C[CH]1)C2	ZINC001274661912	848535161	/nfs/dbraw/zinc/53/51/61/848535161.db2.gz	RTLHXIFIHYBQJK-UHFFFAOYSA-N	-1	0	299.310	0.401	20	30		CCEDRM
N#Cc1cc(F)cc(S(=O)(=O)N2CCC[C@@H]2C(=O)[O-])c1	ZINC000718637464	849270985	/nfs/dbraw/zinc/27/09/85/849270985.db2.gz	MNLSTIPLARCFES-LLVKDONJSA-N	-1	0	298.295	0.935	20	30		CCEDRM
C#CCSCCNC(=O)N[C@@](CC)(COC)C(=O)[O-]	ZINC000381263875	849748587	/nfs/dbraw/zinc/74/85/87/849748587.db2.gz	YEPQXBXFKAOGBK-LBPRGKRZSA-N	-1	0	288.369	0.532	20	30		CCEDRM
CC#CCN1CC[C@@H]1CNC(=O)c1[nH]nc(C)c1[O-]	ZINC001038160905	849802753	/nfs/dbraw/zinc/80/27/53/849802753.db2.gz	JRRLWUDLUJPTER-SNVBAGLBSA-N	-1	0	262.313	0.251	20	30		CCEDRM
C=CCC1(C(=O)[O-])CN(S(=O)(=O)c2cn(CC)cn2)C1	ZINC000722897336	850167197	/nfs/dbraw/zinc/16/71/97/850167197.db2.gz	HTPLBHMZICGBSD-UHFFFAOYSA-N	-1	0	299.352	0.554	20	30		CCEDRM
C#C[C@H]1CCCN(C(=O)C2(C(=O)[O-])CCOCC2)C1	ZINC000689369522	852513203	/nfs/dbraw/zinc/51/32/03/852513203.db2.gz	NDBSSWFTJMLRSM-NSHDSACASA-N	-1	0	265.309	0.740	20	30		CCEDRM
C#CC[C@@H](NC(=O)[C@@H](C)NC(=O)c1cccs1)C(=O)[O-]	ZINC000149596575	853989213	/nfs/dbraw/zinc/98/92/13/853989213.db2.gz	NJYUGZIVZQCEDD-RKDXNWHRSA-N	-1	0	294.332	0.459	20	30		CCEDRM
C=CCNC(=O)CNC(=O)c1ccc(C(=O)[O-])s1	ZINC000393831109	854136027	/nfs/dbraw/zinc/13/60/27/854136027.db2.gz	BRJNHPROCYVJBV-UHFFFAOYSA-N	-1	0	268.294	0.478	20	30		CCEDRM
C=CCCCC(=O)N1C[C@H](NC(=O)c2cn[nH]n2)[C@@H](C)C1	ZINC001072632194	854433161	/nfs/dbraw/zinc/43/31/61/854433161.db2.gz	JMFUJKKGNBGRHT-JQWIXIFHSA-N	-1	0	291.355	0.738	20	30		CCEDRM
Cn1cc(CC(=O)Nc2nc(C#N)c(C#N)[n-]2)cn1	ZINC001115940233	855706560	/nfs/dbraw/zinc/70/65/60/855706560.db2.gz	BIHIOMWUSMBRQT-UHFFFAOYSA-N	-1	0	255.241	0.068	20	30		CCEDRM
O=c1[n-][nH]c(=O)n1N=Cc1nc(-c2ccccc2)c[nH]1	ZINC001117697891	856050733	/nfs/dbraw/zinc/05/07/33/856050733.db2.gz	QIGIVRVVHWWFSN-UHFFFAOYSA-N	-1	0	270.252	0.962	20	30		CCEDRM
C#CCN1CCN(C(=O)c2ccc(/C=C/C(=O)[O-])o2)CC1	ZINC001119586645	856758079	/nfs/dbraw/zinc/75/80/79/856758079.db2.gz	MZYHAZQKTDZDCA-GQCTYLIASA-N	-1	0	288.303	0.768	20	30		CCEDRM
C=CCOC[C@H](NC(=O)CCc1ccn(C)n1)C(=O)[O-]	ZINC001119645356	856805694	/nfs/dbraw/zinc/80/56/94/856805694.db2.gz	UGCVHRNNUOQHSN-NSHDSACASA-N	-1	0	281.312	0.125	20	30		CCEDRM
CSc1[n-]c(=O)c(C(=O)N[C@H](C)CO)cc1C#N	ZINC001324355867	912801233	/nfs/dbraw/zinc/80/12/33/912801233.db2.gz	ALNWAFMFYGOVRK-ZCFIWIBFSA-N	-1	0	267.310	0.491	20	30		CCEDRM
C[C@@H](O)c1ncc(C=Nn2c(=O)[n-][nH]c2=O)s1	ZINC001324881685	913081634	/nfs/dbraw/zinc/08/16/34/913081634.db2.gz	BAKRLUZAZTUJCY-SCSAIBSYSA-N	-1	0	255.259	0.081	20	30		CCEDRM
Cc1nnc([S-])n(N=Cc2nccs2)c1=O	ZINC001326233742	913836209	/nfs/dbraw/zinc/83/62/09/913836209.db2.gz	DDAGCGGBVHOYQM-UHFFFAOYSA-N	-1	0	253.312	0.574	20	30		CCEDRM
C=C[C@@H](C)O[N-]C(=O)C(=O)Nc1cnc(C)nc1	ZINC001326534000	914001369	/nfs/dbraw/zinc/00/13/69/914001369.db2.gz	HBVLCGJCSNRVNN-SSDOTTSWSA-N	-1	0	250.258	0.346	20	30		CCEDRM
C=C(C)COCCNC(=O)N[C@H]1C[C@@H](C(=O)[O-])C1	ZINC000693357922	898044883	/nfs/dbraw/zinc/04/48/83/898044883.db2.gz	JTADQUACDJAQFL-AOOOYVTPSA-N	-1	0	256.302	0.742	20	30		CCEDRM
Cc1nnc(NNC2=CC(=O)N3CCC[C@H]23)[n-]c1=O	ZINC001327032055	914322640	/nfs/dbraw/zinc/32/26/40/914322640.db2.gz	WJDPKLOQEXHGLS-MRVPVSSYSA-N	-1	0	262.273	0.048	20	30		CCEDRM
CS(=O)(=O)c1ccc(NC(=N[O-])c2nonc2N)cc1	ZINC001173942750	899938217	/nfs/dbraw/zinc/93/82/17/899938217.db2.gz	ZSUTVRIFJDWDJR-UHFFFAOYSA-N	-1	0	297.296	0.303	20	30		CCEDRM
N#Cc1nc(NC(=O)[C@@H](O)Cc2ccccc2)[n-]c1C#N	ZINC001412294811	901627329	/nfs/dbraw/zinc/62/73/29/901627329.db2.gz	WPMROACYVAZFNS-LBPRGKRZSA-N	-1	0	281.275	0.695	20	30		CCEDRM
N#Cc1cccc(NC2CN(C(=O)c3c[n-]ncc3=O)C2)c1	ZINC001412411528	901699929	/nfs/dbraw/zinc/69/99/29/901699929.db2.gz	QTWLQGHJELESKO-UHFFFAOYSA-N	-1	0	295.302	0.990	20	30		CCEDRM
C[C@@H]1CCC[C@@H]1NC(=O)Cn1cc(C#N)c(=O)[n-]c1=O	ZINC001412525640	901789021	/nfs/dbraw/zinc/78/90/21/901789021.db2.gz	IUHHJWDJZWFVGQ-SCZZXKLOSA-N	-1	0	276.296	0.125	20	30		CCEDRM
CN(C)C(=O)[C@@]12C[C@@H]1CCN2C(=O)c1cccc(C#N)c1[O-]	ZINC001276214869	901973988	/nfs/dbraw/zinc/97/39/88/901973988.db2.gz	DAMLUKXIDXGPPR-MEDUHNTESA-N	-1	0	299.330	0.957	20	30		CCEDRM
Cc1cc(C#N)c(=O)[n-]c1C(=O)N[C@H](CO)[C@H]1CCOC1	ZINC001412792076	902127986	/nfs/dbraw/zinc/12/79/86/902127986.db2.gz	YXWVTYYUWKRQIH-GXSJLCMTSA-N	-1	0	291.307	0.095	20	30		CCEDRM
CN(CC(=O)Nc1ccc(C#N)cc1)Cc1n[n-]c(=O)o1	ZINC001413011762	902470308	/nfs/dbraw/zinc/47/03/08/902470308.db2.gz	MJGLWWIPHYASAX-UHFFFAOYSA-N	-1	0	287.279	0.717	20	30		CCEDRM
C[C@H](C#N)N(C(=O)CCCn1c(=O)[n-][nH]c1=O)C1CC1	ZINC001413238557	902806633	/nfs/dbraw/zinc/80/66/33/902806633.db2.gz	ZBSLPBLXEPYNEY-MRVPVSSYSA-N	-1	0	279.300	0.373	20	30		CCEDRM
N#CC[C@@H](NC(=O)NCc1n[nH]c(=O)[n-]1)C(F)(F)F	ZINC001413649142	903140827	/nfs/dbraw/zinc/14/08/27/903140827.db2.gz	QWVBJLPBEMRTMU-SCSAIBSYSA-N	-1	0	278.194	0.154	20	30		CCEDRM
C[C@H](C#N)CNC(=O)N1CCC[C@@H](c2n[nH]c(=O)[n-]2)C1	ZINC001413809635	903682302	/nfs/dbraw/zinc/68/23/02/903682302.db2.gz	WPLMAANOLCQOBG-RKDXNWHRSA-N	-1	0	278.316	0.559	20	30		CCEDRM
C#C[C@H](CC)[N-]S(=O)(=O)c1nn(C)cc1[N+](=O)[O-]	ZINC001331556182	903997125	/nfs/dbraw/zinc/99/71/25/903997125.db2.gz	SYPRKOQTPLZPSS-SSDOTTSWSA-N	-1	0	272.286	0.018	20	30		CCEDRM
C=CC[C@H](NC(=O)NOC[C@H]1CCOC1)C(=O)[O-]	ZINC001332165058	904065708	/nfs/dbraw/zinc/06/57/08/904065708.db2.gz	RTTQIGLYTDJBHQ-IUCAKERBSA-N	-1	0	258.274	0.283	20	30		CCEDRM
CC#CCNC(=O)c1cccc(-c2nc(=O)o[n-]2)c1	ZINC001295808264	906804522	/nfs/dbraw/zinc/80/45/22/906804522.db2.gz	CJYIDYUWYFFZBN-UHFFFAOYSA-N	-1	0	257.249	0.783	20	30		CCEDRM
CCN(OC)C(=O)CNC(=O)c1[n-]c(=O)c(C#N)cc1C	ZINC001299871702	907405978	/nfs/dbraw/zinc/40/59/78/907405978.db2.gz	LSTNFKSHPAJKLP-UHFFFAOYSA-N	-1	0	292.295	0.107	20	30		CCEDRM
Cc1ccc(Cn2c(=O)[n-]cc(C#N)c2=O)nc1Cl	ZINC001307359626	908309220	/nfs/dbraw/zinc/30/92/20/908309220.db2.gz	MAVITLSYJHMBSB-UHFFFAOYSA-N	-1	0	276.683	0.813	20	30		CCEDRM
C=C[C@@H](C)O[N-]C(=O)C(=O)Nc1ccnn1[C@H]1CCOC1	ZINC001338237815	921404842	/nfs/dbraw/zinc/40/48/42/921404842.db2.gz	UGQWGGBSTZVSJD-ZJUUUORDSA-N	-1	0	294.311	0.405	20	30		CCEDRM
COc1cc(C=NN2CC(=O)NC2=O)ccc1F	ZINC001341109732	908573511	/nfs/dbraw/zinc/57/35/11/908573511.db2.gz	ABUDEZYHXWVEMZ-UHFFFAOYSA-N	-1	0	251.217	0.720	20	30		CCEDRM
Cc1cc(C#N)c(=O)[n-]c1C(=O)NC[C@](C)(O)C1CC1	ZINC001417652321	921497642	/nfs/dbraw/zinc/49/76/42/921497642.db2.gz	ROENNAIAWCGCBA-AWEZNQCLSA-N	-1	0	275.308	0.858	20	30		CCEDRM
N#Cc1nc(N)n(Cc2nc(=O)c3sccc3[n-]2)c1C#N	ZINC001317785561	909492467	/nfs/dbraw/zinc/49/24/67/909492467.db2.gz	MVTXXYDTGJISFP-UHFFFAOYSA-N	-1	0	297.303	0.967	20	30		CCEDRM
N#Cc1ccc(C(=O)[N-]S(=O)(=O)C(F)F)cc1	ZINC001319026166	909957292	/nfs/dbraw/zinc/95/72/92/909957292.db2.gz	YFVPAXKKKGFELC-UHFFFAOYSA-N	-1	0	260.221	0.840	20	30		CCEDRM
N#Cc1ccc(NC(=O)NCc2nc(=O)o[n-]2)cc1	ZINC001320031811	910423311	/nfs/dbraw/zinc/42/33/11/910423311.db2.gz	LOIXEQMFTSMBGK-UHFFFAOYSA-N	-1	0	259.225	0.556	20	30		CCEDRM
N#Cc1ccc(NC(=O)C(=O)[N-]OC[C@H]2CCOC2)cc1	ZINC001320670736	910785662	/nfs/dbraw/zinc/78/56/62/910785662.db2.gz	NYMTWQUAPKVCDK-NSHDSACASA-N	-1	0	289.291	0.581	20	30		CCEDRM
C=CC[C@@H](NC(=O)c1cnn2c1CCCC2)C(=O)[O-]	ZINC001321342072	911245562	/nfs/dbraw/zinc/24/55/62/911245562.db2.gz	VJKNEGGBJNCDBT-SNVBAGLBSA-N	-1	0	263.297	0.979	20	30		CCEDRM
CNC(=O)C[C@H](C)NC(=O)c1[n-]c(=O)c(C#N)cc1C	ZINC001417869545	921653092	/nfs/dbraw/zinc/65/30/92/921653092.db2.gz	OXTLUQSWXQQGEX-QMMMGPOBSA-N	-1	0	276.296	0.222	20	30		CCEDRM
Cc1cc(C#N)c(=O)[n-]c1C(=O)N[C@H](C)c1nccc(N)n1	ZINC001417879390	921669604	/nfs/dbraw/zinc/66/96/04/921669604.db2.gz	RBKGXWBCIBDFKO-MRVPVSSYSA-N	-1	0	298.306	0.831	20	30		CCEDRM
C#C[C@H]([N-]S(=O)(=O)c1nn(C)cc1[N+](=O)[O-])C(C)C	ZINC001328750136	915411578	/nfs/dbraw/zinc/41/15/78/915411578.db2.gz	XKJPSNQJIIPFMW-QMMMGPOBSA-N	-1	0	286.313	0.264	20	30		CCEDRM
Cc1nnc([S-])n(N=C[C@H]2CCCOCC2)c1=O	ZINC001329573534	916024456	/nfs/dbraw/zinc/02/44/56/916024456.db2.gz	VBFBWSJZISGMAC-VIFPVBQESA-N	-1	0	268.342	0.886	20	30		CCEDRM
CC(C)OC[C@H](NCc1nc(C#N)cs1)C(=O)[O-]	ZINC001330057201	916387953	/nfs/dbraw/zinc/38/79/53/916387953.db2.gz	VMHBXQZRWAGWHM-VIFPVBQESA-N	-1	0	269.326	0.983	20	30		CCEDRM
C[C@H](CC#N)C(=O)[N-]S(=O)(=O)C1CCOCC1	ZINC001330507696	916669477	/nfs/dbraw/zinc/66/94/77/916669477.db2.gz	WEPBICOUHWITGQ-MRVPVSSYSA-N	-1	0	260.315	0.161	20	30		CCEDRM
CC#CCS(=O)(=O)[N-]C(=O)c1nccnc1SC	ZINC001331482607	917364289	/nfs/dbraw/zinc/36/42/89/917364289.db2.gz	XZMAVZSCOHGIEE-UHFFFAOYSA-N	-1	0	285.350	0.281	20	30		CCEDRM
C=CCOC[C@H](NCc1cn(C(C)C)nn1)C(=O)[O-]	ZINC001331934913	917732938	/nfs/dbraw/zinc/73/29/38/917732938.db2.gz	WTZKSNSEMATNQV-NSHDSACASA-N	-1	0	268.317	0.604	20	30		CCEDRM
C=CC[C@@H](NC(=O)[C@H]1CCc2nnn(C)c2C1)C(=O)[O-]	ZINC001332136358	917896088	/nfs/dbraw/zinc/89/60/88/917896088.db2.gz	NZRAOWGXWAGFPO-WCBMZHEXSA-N	-1	0	278.312	0.066	20	30		CCEDRM
C=CC[C@H](NC(=O)NCCOC1CCOCC1)C(=O)[O-]	ZINC001332474657	918190687	/nfs/dbraw/zinc/19/06/87/918190687.db2.gz	VKXFPHPHYSJANM-NSHDSACASA-N	-1	0	286.328	0.511	20	30		CCEDRM
C=CC[C@H](NC(=O)[C@@H]1CCc2nnc(C)n2C1)C(=O)[O-]	ZINC001332613617	918310652	/nfs/dbraw/zinc/31/06/52/918310652.db2.gz	LBZSEUVETJHOPR-ZJUUUORDSA-N	-1	0	278.312	0.294	20	30		CCEDRM
C=CC[C@H](NC(=O)NCc1ccn(CC)n1)C(=O)[O-]	ZINC001333317898	918796357	/nfs/dbraw/zinc/79/63/57/918796357.db2.gz	KFJWMVHSORCLLU-JTQLQIEISA-N	-1	0	266.301	0.732	20	30		CCEDRM
C=CC[C@H](NC(=O)NCCN(C)CC(F)(F)F)C(=O)[O-]	ZINC001333318299	918796370	/nfs/dbraw/zinc/79/63/70/918796370.db2.gz	YMBJKFWAGRRCAK-QMMMGPOBSA-N	-1	0	297.277	0.809	20	30		CCEDRM
C=CC[C@@H](NC(=O)CCc1ccn(C)n1)C(=O)[O-]	ZINC001334981507	919879416	/nfs/dbraw/zinc/87/94/16/919879416.db2.gz	WQNRIPSOLHRYMR-SNVBAGLBSA-N	-1	0	251.286	0.498	20	30		CCEDRM
C=CCN(CCOC)c1nc2c(nc([O-])n(C)c2=O)[nH]1	ZINC001336595671	920863496	/nfs/dbraw/zinc/86/34/96/920863496.db2.gz	LAYSZYAFMGDNNL-UHFFFAOYSA-N	-1	0	279.300	0.001	20	30		CCEDRM
C#C[C@H]1CCCN(c2nnc(-c3cc(=O)n(C)[n-]3)n2C)C1	ZINC001339839738	921847911	/nfs/dbraw/zinc/84/79/11/921847911.db2.gz	IBOJJOBFQPLYTA-JTQLQIEISA-N	-1	0	286.339	0.771	20	30		CCEDRM
CN(Cc1nc(=O)o[n-]1)C(=O)Cc1cccc(C#N)c1	ZINC001418189200	921883698	/nfs/dbraw/zinc/88/36/98/921883698.db2.gz	WUYVZYMDKKFXCW-UHFFFAOYSA-N	-1	0	272.264	0.436	20	30		CCEDRM
N#CC(C(=O)NC1CC1)=C([O-])c1ccnn1CC(F)F	ZINC001343470620	923333976	/nfs/dbraw/zinc/33/39/76/923333976.db2.gz	OZNLTRSLUOPQTN-QMMMGPOBSA-N	-1	0	282.250	0.749	20	30		CCEDRM
Cc1nc(C)c(C=Nn2c(=O)c(C)n[n-]c2=S)o1	ZINC001343773507	923466133	/nfs/dbraw/zinc/46/61/33/923466133.db2.gz	IYVVXKHRXRAZCS-UHFFFAOYSA-N	-1	0	265.298	0.722	20	30		CCEDRM
Cc1cc(C([O-])=C(C#N)C(=O)N2CCCC2)n(C)n1	ZINC001343989180	923522050	/nfs/dbraw/zinc/52/20/50/923522050.db2.gz	AYDXCCAZAACYRM-JTQLQIEISA-N	-1	0	260.297	0.673	20	30		CCEDRM
C[C@H](NC(=O)CCn1cc(C#N)c(=O)[n-]c1=O)C1(C)CC1	ZINC001420379684	923596236	/nfs/dbraw/zinc/59/62/36/923596236.db2.gz	HDPIEMASQYYXIR-VIFPVBQESA-N	-1	0	290.323	0.515	20	30		CCEDRM
N#CCCCS(=O)(=O)[N-]C(=O)c1cnn2ccncc12	ZINC001344716234	923671158	/nfs/dbraw/zinc/67/11/58/923671158.db2.gz	BYYKLHIGJLQVMW-UHFFFAOYSA-N	-1	0	293.308	0.093	20	30		CCEDRM
C#Cc1cncc(C(=O)N2CC[C@@H]([C@@H](F)C(=O)[O-])C2)c1	ZINC001345767783	923971106	/nfs/dbraw/zinc/97/11/06/923971106.db2.gz	DUUSBJLKMHYMOF-ZYHUDNBSSA-N	-1	0	276.267	0.948	20	30		CCEDRM
C=CCNC(=O)C(C#N)=C([O-])c1cn(C)nc1OC	ZINC001346239463	924126638	/nfs/dbraw/zinc/12/66/38/924126638.db2.gz	KMDNDMNXXUMZHQ-QMMMGPOBSA-N	-1	0	262.269	0.053	20	30		CCEDRM
C=C(C)[C@H]1OCC[C@@H]1CNC(=O)C(=O)[N-]OCC(C)C	ZINC001347567114	924481428	/nfs/dbraw/zinc/48/14/28/924481428.db2.gz	GFQQSBSCDKHZKT-VXGBXAGGSA-N	-1	0	284.356	0.788	20	30		CCEDRM
C=CCOCCCC(=O)N1CC[C@H](c2nnn[n-]2)C1	ZINC001350236468	925154315	/nfs/dbraw/zinc/15/43/15/925154315.db2.gz	XWRXKSIGQNJNHL-JTQLQIEISA-N	-1	0	265.317	0.498	20	30		CCEDRM
Cn1c(=O)[n-]c(NCC2(C3(O)CCC3)CC2)c(C#N)c1=O	ZINC001413920173	925387111	/nfs/dbraw/zinc/38/71/11/925387111.db2.gz	NDPUYHLQJNOZPC-UHFFFAOYSA-N	-1	0	290.323	0.052	20	30		CCEDRM
C=C[C@@H](COC)NS(=O)(=O)c1cc(C(=O)[O-])cs1	ZINC001356155862	926348874	/nfs/dbraw/zinc/34/88/74/926348874.db2.gz	ZDZYRNMFFRXECF-QMMMGPOBSA-N	-1	0	291.350	0.926	20	30		CCEDRM
C[C@]1(CO)CCC[N@@H+]1Cc1cc(=O)n2[n-]cc(C#N)c2n1	ZINC001413983018	926724038	/nfs/dbraw/zinc/72/40/38/926724038.db2.gz	ODSCCIYDIQRSSN-CQSZACIVSA-N	-1	0	287.323	0.653	20	30		CCEDRM
CC(C)Cn1[n-]c(CC(=O)Nc2ccncc2C#N)cc1=O	ZINC001361351088	926990875	/nfs/dbraw/zinc/99/08/75/926990875.db2.gz	JPQZIKHMXMCBGL-UHFFFAOYSA-N	-1	0	299.334	0.702	20	30		CCEDRM
CCS(=O)(=O)CCNC(=O)c1[n-]c(=O)c(C#N)cc1C	ZINC001361740073	927290386	/nfs/dbraw/zinc/29/03/86/927290386.db2.gz	PFGMEWOVNARXEQ-UHFFFAOYSA-N	-1	0	297.336	0.132	20	30		CCEDRM
Cc1cc(C#N)c(=O)[n-]c1C(=O)N[C@H](C)Cn1cccn1	ZINC001362039537	927544763	/nfs/dbraw/zinc/54/47/63/927544763.db2.gz	BAMRORJEFFAQCI-SNVBAGLBSA-N	-1	0	285.307	0.982	20	30		CCEDRM
COc1cc(C(=O)NCc2n[nH]c(=O)[n-]2)ccc1C#N	ZINC001362066063	927579744	/nfs/dbraw/zinc/57/97/44/927579744.db2.gz	SXNIXDVQOWGBJU-UHFFFAOYSA-N	-1	0	273.252	0.321	20	30		CCEDRM
Cc1cc(C#N)c(=O)[n-]c1C(=O)NC1(C(N)=O)CCCC1	ZINC001362186284	927706785	/nfs/dbraw/zinc/70/67/85/927706785.db2.gz	AKQRRMHIZZOZLF-UHFFFAOYSA-N	-1	0	288.307	0.495	20	30		CCEDRM
C[C@H](C#N)CNC(=O)c1ccc(-n2[nH]c(=O)[n-]c2=O)cc1	ZINC001362189441	927710053	/nfs/dbraw/zinc/71/00/53/927710053.db2.gz	NGIASCFIPLSNKY-MRVPVSSYSA-N	-1	0	287.279	0.156	20	30		CCEDRM
CC[C@H]1CCC[C@H]1NC(=O)Cn1cc(C#N)c(=O)[n-]c1=O	ZINC001362226173	927748144	/nfs/dbraw/zinc/74/81/44/927748144.db2.gz	RVBXAXDCPIQNRQ-GXSJLCMTSA-N	-1	0	290.323	0.515	20	30		CCEDRM
CC[C@@H](CC#N)NC(=O)c1cccc(-n2[n-]nnc2=N)c1	ZINC001362306852	927853067	/nfs/dbraw/zinc/85/30/67/927853067.db2.gz	LYJACELTWYEPBX-JTQLQIEISA-N	-1	0	285.311	0.497	20	30		CCEDRM
COc1cc(C#N)ccc1C(=O)NCc1nc(=O)o[n-]1	ZINC001362325775	927881574	/nfs/dbraw/zinc/88/15/74/927881574.db2.gz	ZSSCQIJBZJZGBU-UHFFFAOYSA-N	-1	0	274.236	0.173	20	30		CCEDRM
Cc1cc(C#N)c(=O)[n-]c1C(=O)N1C[C@H](O)CC(F)(F)C1	ZINC001362390903	927956809	/nfs/dbraw/zinc/95/68/09/927956809.db2.gz	IZDDCBASKVDKCM-SECBINFHSA-N	-1	0	297.261	0.809	20	30		CCEDRM
CCN1C[C@@H](NC(=O)c2[n-]c(=O)c(C#N)cc2C)CC1=O	ZINC001362471351	928059426	/nfs/dbraw/zinc/05/94/26/928059426.db2.gz	AKRAISFVUIMIPE-JTQLQIEISA-N	-1	0	288.307	0.318	20	30		CCEDRM
CC1(C)CC[C@@H]1NC(=O)CCn1cc(C#N)c(=O)[n-]c1=O	ZINC001362526874	928136015	/nfs/dbraw/zinc/13/60/15/928136015.db2.gz	KUQGYMJNHHTMTA-JTQLQIEISA-N	-1	0	290.323	0.515	20	30		CCEDRM
N#Cc1ccc(C(=O)N2CC[C@H](O)[C@@H](CO)C2)cc1O	ZINC001362595026	928225268	/nfs/dbraw/zinc/22/52/68/928225268.db2.gz	ZZZQREPHDUAONR-NEPJUHHUSA-N	-1	0	276.292	0.079	20	30		CCEDRM
CSC(C)(C)C(=O)NCCn1cc(C#N)c(=O)[n-]c1=O	ZINC001362686103	928353896	/nfs/dbraw/zinc/35/38/96/928353896.db2.gz	CUJABXORXJBOBF-UHFFFAOYSA-N	-1	0	296.352	0.078	20	30		CCEDRM
COC(=O)CC1(NC(=O)c2[n-]c(=O)c(C#N)cc2C)CC1	ZINC001362922486	928658460	/nfs/dbraw/zinc/65/84/60/928658460.db2.gz	PFPYWLWFMBFPBQ-UHFFFAOYSA-N	-1	0	289.291	0.793	20	30		CCEDRM
COC(=O)[C@@H]1CC[C@H](C(=O)Nc2nc(C#N)c(C#N)[n-]2)C1	ZINC001362973633	928714570	/nfs/dbraw/zinc/71/45/70/928714570.db2.gz	XCELNIWICKTYCN-JGVFFNPUSA-N	-1	0	287.279	0.681	20	30		CCEDRM
CCOC(=O)c1n[nH]c([C@H](C)NC(=O)C(C)(C)C#N)n1	ZINC001363050384	928805923	/nfs/dbraw/zinc/80/59/23/928805923.db2.gz	QRYQKSYCCMLITH-ZETCQYMHSA-N	-1	0	279.300	0.708	20	30		CCEDRM
COC(=O)C[C@H](C)NC(=O)c1[n-]c(=O)c(C#N)cc1C	ZINC001363080875	928847628	/nfs/dbraw/zinc/84/76/28/928847628.db2.gz	GDNVTUWXSWMLTC-QMMMGPOBSA-N	-1	0	277.280	0.649	20	30		CCEDRM
N#C[C@@]1(C(=O)Nn2c(=O)[n-][nH]c2=O)CC2CCC1CC2	ZINC001363140296	928911576	/nfs/dbraw/zinc/91/15/76/928911576.db2.gz	SCSKQHGYCCUPSQ-TYAJBCFHSA-N	-1	0	277.284	0.479	20	30		CCEDRM
CN1C(=O)CCC[C@H]1C(=O)Nc1nc(C#N)c(C#N)[n-]1	ZINC001363156309	928928845	/nfs/dbraw/zinc/92/88/45/928928845.db2.gz	JOMBINSJRAIGKN-VIFPVBQESA-N	-1	0	272.268	0.102	20	30		CCEDRM
N#Cc1cccc(C(=O)N2CCC[C@@H](Cc3nnn[n-]3)C2)n1	ZINC001363437363	929230626	/nfs/dbraw/zinc/23/06/26/929230626.db2.gz	VRFBTSNZULWXFV-JTQLQIEISA-N	-1	0	297.322	0.561	20	30		CCEDRM
C[C@H](CNC(=O)Cn1cc(C#N)c(=O)[n-]c1=O)C(C)(C)C	ZINC001363439546	929234358	/nfs/dbraw/zinc/23/43/58/929234358.db2.gz	VYBIFWAZMVBCAD-SECBINFHSA-N	-1	0	292.339	0.619	20	30		CCEDRM
N#Cc1ccncc1C(=O)N1CCC[C@H](Cc2nnn[n-]2)C1	ZINC001363580648	929383598	/nfs/dbraw/zinc/38/35/98/929383598.db2.gz	FUGFLNXLHMFVOS-SNVBAGLBSA-N	-1	0	297.322	0.561	20	30		CCEDRM
Cn1c(=O)[n-]c(NCCc2cccc(F)c2)c(C#N)c1=O	ZINC001363724184	929520398	/nfs/dbraw/zinc/52/03/98/929520398.db2.gz	BSCNAVVKDFRQKT-UHFFFAOYSA-N	-1	0	288.282	0.739	20	30		CCEDRM
C#C[C@H](CO)NC(=O)c1cc([N+](=O)[O-])ccc1[O-]	ZINC001450338099	931275058	/nfs/dbraw/zinc/27/50/58/931275058.db2.gz	ZOANHIFEHABJSR-SSDOTTSWSA-N	-1	0	250.210	0.024	20	30		CCEDRM
N#CCn1cc(NC(=O)c2cnc(C(=O)[O-])cn2)cn1	ZINC001601079277	970928818	/nfs/dbraw/zinc/92/88/18/970928818.db2.gz	STCBIQYFJVRDGK-UHFFFAOYSA-N	-1	0	272.224	0.147	20	30		CCEDRM
N#Cc1csc(CSCC(=O)NCC(=O)[O-])n1	ZINC001611304888	970985603	/nfs/dbraw/zinc/98/56/03/970985603.db2.gz	UTBWHDJFFXUYAB-UHFFFAOYSA-N	-1	0	271.323	0.449	20	30		CCEDRM
O=C([O-])Cn1cccc1C=NN[C@H]1CCCS(=O)(=O)C1	ZINC001602166327	971160597	/nfs/dbraw/zinc/16/05/97/971160597.db2.gz	NRARILDYPPJHTJ-JTQLQIEISA-N	-1	0	299.352	0.073	20	30		CCEDRM
C#C[C@H]1CCCN(C(=O)C(=O)NCC2(C(=O)[O-])CCC2)C1	ZINC001602674925	971243974	/nfs/dbraw/zinc/24/39/74/971243974.db2.gz	FSFQLBKNIMIUOT-NSHDSACASA-N	-1	0	292.335	0.229	20	30		CCEDRM
C#CCC(C)(C)C(=O)OCCc1cn(CC(=O)[O-])nn1	ZINC001602675200	971246791	/nfs/dbraw/zinc/24/67/91/971246791.db2.gz	MBDCSJFXEOBPNE-UHFFFAOYSA-N	-1	0	279.296	0.498	20	30		CCEDRM
C#CC[C@@H](COC)NC(=O)C1(C(=O)[O-])CC=CC1	ZINC001602675246	971246954	/nfs/dbraw/zinc/24/69/54/971246954.db2.gz	NVLHGKIXPGONGF-JTQLQIEISA-N	-1	0	251.282	0.562	20	30		CCEDRM
C#CC[C@@H](CO)NC(=O)/C=C\c1ccc(C(=O)[O-])o1	ZINC001602675298	971247931	/nfs/dbraw/zinc/24/79/31/971247931.db2.gz	PDCFBDFBWWYETN-PGBBXKAQSA-N	-1	0	263.249	0.491	20	30		CCEDRM
C#CCC[C@@H](O)CNC(=O)NCc1ccccc1C(=O)[O-]	ZINC001602675301	971247686	/nfs/dbraw/zinc/24/76/86/971247686.db2.gz	PTUMRVRCVWRNCI-GFCCVEGCSA-N	-1	0	290.319	0.958	20	30		CCEDRM
C#CCN(CC(=O)[O-])C(=O)[C@H](C)OC[C@@H]1CCCO1	ZINC001602679139	971258221	/nfs/dbraw/zinc/25/82/21/971258221.db2.gz	KQZWBQNAVKRESY-QWRGUYRKSA-N	-1	0	269.297	0.117	20	30		CCEDRM
C#CCN(CC(=O)[O-])C(=O)[C@@H](C)OC[C@H]1CCCO1	ZINC001602679132	971258285	/nfs/dbraw/zinc/25/82/85/971258285.db2.gz	KQZWBQNAVKRESY-GHMZBOCLSA-N	-1	0	269.297	0.117	20	30		CCEDRM
C#CCN(CC(=O)[O-])C(=O)Cc1ccc(OC)cn1	ZINC001602683715	971275192	/nfs/dbraw/zinc/27/51/92/971275192.db2.gz	IULRFZOEJOFMIM-UHFFFAOYSA-N	-1	0	262.265	0.179	20	30		CCEDRM
C#CCN(CC(=O)[O-])C(=O)N[C@H](C)c1cc[nH]c(=O)c1	ZINC001602684035	971277581	/nfs/dbraw/zinc/27/75/81/971277581.db2.gz	OFJOKOYLIXDEPT-SECBINFHSA-N	-1	0	277.280	0.578	20	30		CCEDRM
C#CCN(CC(=O)[O-])C(=O)NC[C@@H]1CCOC[C@@H]1C	ZINC001602686094	971285359	/nfs/dbraw/zinc/28/53/59/971285359.db2.gz	QDFAEMMWHGQFPP-QWRGUYRKSA-N	-1	0	268.313	0.388	20	30		CCEDRM
C#CCN(CC(=O)[O-])C(=O)NCc1cc(C(F)F)on1	ZINC001602686276	971287355	/nfs/dbraw/zinc/28/73/55/971287355.db2.gz	YRKLVPXFZZXDAV-UHFFFAOYSA-N	-1	0	287.222	0.842	20	30		CCEDRM
C#CCN(CC(=O)[O-])C(=O)c1cc(F)cc2n[nH]nc21	ZINC001602691302	971294376	/nfs/dbraw/zinc/29/43/76/971294376.db2.gz	FVRATCGUGJBTLO-UHFFFAOYSA-N	-1	0	276.227	0.257	20	30		CCEDRM
C#CCN(CC(=O)[O-])C(=O)c1nn(C)c(C)c1Cl	ZINC001602692010	971299743	/nfs/dbraw/zinc/29/97/43/971299743.db2.gz	ABSFTBXYWKIVFC-UHFFFAOYSA-N	-1	0	269.688	0.542	20	30		CCEDRM
C#CCN(CC(=O)[O-])c1nnnn1Cc1ccoc1C	ZINC001602700766	971321189	/nfs/dbraw/zinc/32/11/89/971321189.db2.gz	ILVQWFDDGBJKNC-UHFFFAOYSA-N	-1	0	275.268	0.147	20	30		CCEDRM
C=C(Br)COC(=O)c1cn(CC(=O)[O-])nn1	ZINC001602707213	971342744	/nfs/dbraw/zinc/34/27/44/971342744.db2.gz	MGWLSMWSAPKFRJ-UHFFFAOYSA-N	-1	0	290.073	0.428	20	30		CCEDRM
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N(CCC(=O)OC)CC(=O)[O-]	ZINC001602712146	971354551	/nfs/dbraw/zinc/35/45/51/971354551.db2.gz	HWQSIPVTFHTVGZ-GWCFXTLKSA-N	-1	0	299.323	0.444	20	30		CCEDRM
C=C[C@H](O)c1nnc(N2CCC[C@H](C(=O)[O-])C2)n1C	ZINC001602717185	971364044	/nfs/dbraw/zinc/36/40/44/971364044.db2.gz	CLZWXWMQCOCZBB-IUCAKERBSA-N	-1	0	266.301	0.336	20	30		CCEDRM
C=CCCn1cc(C(=O)O[C@@H](C(=O)[O-])C2CC2)nn1	ZINC001602721958	971384808	/nfs/dbraw/zinc/38/48/08/971384808.db2.gz	JVCVUBFKURRWMP-SNVBAGLBSA-N	-1	0	265.269	0.874	20	30		CCEDRM
C=CCn1c([C@H](O)C=C)nnc1N1CCC(C(=O)[O-])CC1	ZINC001602730159	971407018	/nfs/dbraw/zinc/40/70/18/971407018.db2.gz	VWAPUFQXDRCAHL-LLVKDONJSA-N	-1	0	292.339	0.985	20	30		CCEDRM
C[C@@](C#N)(CC(=O)[O-])C(=O)N1CCC[C@H](CO)CC1	ZINC001602778257	971510882	/nfs/dbraw/zinc/51/08/82/971510882.db2.gz	FCCJALHSZKQEQG-GWCFXTLKSA-N	-1	0	268.313	0.612	20	30		CCEDRM
CCN(CCC#N)S(=O)(=O)N1CCC[C@H](C(=O)[O-])C1	ZINC000037838870	948846822	/nfs/dbraw/zinc/84/68/22/948846822.db2.gz	RMDMMBZXYKGQMQ-JTQLQIEISA-N	-1	0	289.357	0.263	20	30		CCEDRM
C[C@](C#N)(CC(=O)[O-])C(=O)N[C@@H]1CC12CC(O)C2	ZINC001602780483	971518954	/nfs/dbraw/zinc/51/89/54/971518954.db2.gz	HWOVAHXXFVZGNP-MIYMBLDISA-N	-1	0	252.270	0.021	20	30		CCEDRM
C[C@](C#N)(CC(=O)[O-])C(=O)N[C@@H]1CO[C@@H](C2CC2)C1	ZINC001602781307	971522763	/nfs/dbraw/zinc/52/27/63/971522763.db2.gz	VKVJQHSLJXMTSZ-OPQQBVKSSA-N	-1	0	266.297	0.675	20	30		CCEDRM
N#Cc1ccc(OCC(=O)Nc2cc(C(=O)[O-])n[nH]2)cc1	ZINC000083850632	949035572	/nfs/dbraw/zinc/03/55/72/949035572.db2.gz	YQJVVRUSJLOCQE-UHFFFAOYSA-N	-1	0	286.247	0.997	20	30		CCEDRM
C[C@H](Oc1ccc(C#N)cc1)C(=O)NC[C@](C)(O)C(=O)[O-]	ZINC000090276490	949120661	/nfs/dbraw/zinc/12/06/61/949120661.db2.gz	IQTAXYDVJBOUBE-XPTSAGLGSA-N	-1	0	292.291	0.277	20	30		CCEDRM
N#Cc1cccc(NC(=O)c2cn(CC(=O)[O-])nn2)c1	ZINC000090718152	949125379	/nfs/dbraw/zinc/12/53/79/949125379.db2.gz	MAKVTBXSGPIKCJ-UHFFFAOYSA-N	-1	0	271.236	0.487	20	30		CCEDRM
C#CCN(CC(=O)[O-])C(=O)[C@@H](OC)c1ccccc1	ZINC000092476537	949144222	/nfs/dbraw/zinc/14/42/22/949144222.db2.gz	NWCRBMVJNMTARZ-ZDUSSCGKSA-N	-1	0	261.277	0.921	20	30		CCEDRM
C#CCN(CC(=O)[O-])S(=O)(=O)c1cc(F)ccc1F	ZINC000092479658	949152918	/nfs/dbraw/zinc/15/29/18/949152918.db2.gz	JKKSZGZZNHEAFD-UHFFFAOYSA-N	-1	0	289.259	0.673	20	30		CCEDRM
C#CCN(CC(=O)[O-])CC(=O)N1CCc2sccc2C1	ZINC000092481996	949154472	/nfs/dbraw/zinc/15/44/72/949154472.db2.gz	VNIAHTJDCBFCLZ-UHFFFAOYSA-N	-1	0	292.360	0.653	20	30		CCEDRM
CCC[C@H](CNC(=O)[C@](C)(C#N)CC(=O)[O-])OC	ZINC001589632514	949568014	/nfs/dbraw/zinc/56/80/14/949568014.db2.gz	UGLXGOJYPMXCGW-SKDRFNHKSA-N	-1	0	256.302	0.922	20	30		CCEDRM
C#CCN(CC(=O)[O-])S(=O)(=O)c1ccc(C#N)c(C)c1	ZINC000235770621	949880266	/nfs/dbraw/zinc/88/02/66/949880266.db2.gz	YGAVINOKQZVRLR-UHFFFAOYSA-N	-1	0	292.316	0.575	20	30		CCEDRM
CCN(C(=O)C(=O)Nc1sccc1C#N)[C@H](C)C(=O)[O-]	ZINC001589697917	950193987	/nfs/dbraw/zinc/19/39/87/950193987.db2.gz	GTEXLPYFPJUJFG-SSDOTTSWSA-N	-1	0	295.320	0.880	20	30		CCEDRM
C[C@@H]1CCN(c2cnc(C#N)c(-c3nnn[n-]3)n2)C[C@H]1F	ZINC001576214258	950667232	/nfs/dbraw/zinc/66/72/32/950667232.db2.gz	NZXKOGNMISOABL-HTQZYQBOSA-N	-1	0	288.290	0.713	20	30		CCEDRM
C#CCN(CC(=O)[O-])C(=O)N[C@H]1COCC1(C)C	ZINC000313057915	950780267	/nfs/dbraw/zinc/78/02/67/950780267.db2.gz	YJYXNTHQWDDQKI-VIFPVBQESA-N	-1	0	254.286	0.141	20	30		CCEDRM
C#CCN1CCN(C(=O)c2ccsc2CC(=O)[O-])CC1	ZINC000383620784	971882036	/nfs/dbraw/zinc/88/20/36/971882036.db2.gz	CBFKVQZYVHHMLD-UHFFFAOYSA-N	-1	0	292.360	0.766	20	30		CCEDRM
N#Cc1ccc(CN2CCO[C@H](C(=O)[O-])C2)cc1F	ZINC000404239116	953374161	/nfs/dbraw/zinc/37/41/61/953374161.db2.gz	VXIDGXOCXAPKPI-LBPRGKRZSA-N	-1	0	264.256	0.983	20	30		CCEDRM
C#CCN(CC(=O)[O-])C(=O)NCCc1ncccc1C	ZINC000404677360	953380436	/nfs/dbraw/zinc/38/04/36/953380436.db2.gz	ACANSECJMOPEIA-UHFFFAOYSA-N	-1	0	275.308	0.662	20	30		CCEDRM
CCc1ccc(C#CC(=O)N[C@@]2(C(=O)[O-])CCOC2)cc1	ZINC001593633635	953594547	/nfs/dbraw/zinc/59/45/47/953594547.db2.gz	LMNFGJFDZCTKDM-INIZCTEOSA-N	-1	0	287.315	0.960	20	30		CCEDRM
C[C@@H]1CC(NC(=O)C2(C(=O)[O-])CCOCC2)=NO1	ZINC001589292946	953617728	/nfs/dbraw/zinc/61/77/28/953617728.db2.gz	JAFUEAVVBQHDNF-SSDOTTSWSA-N	-1	0	256.258	0.106	20	30		CCEDRM
CCn1ncnc1CN=Nc1ncccc1C(=O)[O-]	ZINC001593674627	953905851	/nfs/dbraw/zinc/90/58/51/953905851.db2.gz	UUCWCTXIOLYKOD-UHFFFAOYSA-N	-1	0	260.257	0.837	20	30		CCEDRM
CN(C(=O)c1cnc(C(=O)[O-])cn1)C1(C#N)CCC1	ZINC001593683402	953976639	/nfs/dbraw/zinc/97/66/39/953976639.db2.gz	CHKANDMFOOOEOS-UHFFFAOYSA-N	-1	0	260.253	0.693	20	30		CCEDRM
C[C@H]1CCN(C(=O)C2(C#N)CCOCC2)C[C@H]1C(=O)[O-]	ZINC001589336494	953997240	/nfs/dbraw/zinc/99/72/40/953997240.db2.gz	MIKWCBPCCFCPEM-WDEREUQCSA-N	-1	0	280.324	0.876	20	30		CCEDRM
C[C@@H]1CCN(c2nnc([C@@H]3C[C@@H]3C#N)n2C)C[C@@H]1C(=O)[O-]	ZINC001589360483	954151638	/nfs/dbraw/zinc/15/16/38/954151638.db2.gz	BHLNHVZNUKBIBA-DBIOUOCHSA-N	-1	0	289.339	0.989	20	30		CCEDRM
C[C@@H]1CN(c2cnc(C#N)c(C#N)n2)CC[C@@H]1C(=O)[O-]	ZINC001589402929	954455815	/nfs/dbraw/zinc/45/58/15/954455815.db2.gz	RITYHVGSTWWPIJ-BDAKNGLRSA-N	-1	0	271.280	0.767	20	30		CCEDRM
CC[C@H](C#N)C(=O)N[C@H](C(=O)[O-])c1ccnn1C	ZINC001589426308	954624934	/nfs/dbraw/zinc/62/49/34/954624934.db2.gz	HJZGJJODOCKBOS-APPZFPTMSA-N	-1	0	250.258	0.212	20	30		CCEDRM
CC[C@@H](C(=O)[O-])N(C)C(=O)[C@@H](C)n1cnc(C#N)n1	ZINC001589429381	954642038	/nfs/dbraw/zinc/64/20/38/954642038.db2.gz	FXDYKUVKGJFSHL-SFYZADRCSA-N	-1	0	265.273	0.032	20	30		CCEDRM
CN1CCN(N=Cc2cccn2CC(=O)[O-])CC1	ZINC001593784316	954683095	/nfs/dbraw/zinc/68/30/95/954683095.db2.gz	BPFRPCFPZNNEGJ-UHFFFAOYSA-N	-1	0	250.302	0.154	20	30		CCEDRM
CC[C@H](CNC(=O)N1CCO[C@@](C)(C#N)C1)C(=O)[O-]	ZINC001589528989	955140093	/nfs/dbraw/zinc/14/00/93/955140093.db2.gz	OXMPTAPCOIBGPC-SKDRFNHKSA-N	-1	0	269.301	0.421	20	30		CCEDRM
CO[C@@H](C(=O)[O-])C(=O)OCc1cc(C#N)ccc1F	ZINC001593917019	956032294	/nfs/dbraw/zinc/03/22/94/956032294.db2.gz	CSXCFRLIODHSLE-JTQLQIEISA-N	-1	0	267.212	0.840	20	30		CCEDRM
N#C[C@]1(F)CCN(C(=O)N[C@H]2CCC[C@H]2C(=O)[O-])C1	ZINC001594601427	956135697	/nfs/dbraw/zinc/13/56/97/956135697.db2.gz	BYNZZPOXEWJPQF-VDDIYKPWSA-N	-1	0	269.276	0.887	20	30		CCEDRM
N#CC(C(=O)C1(CC(=O)[O-])CCOCC1)c1ccncn1	ZINC001594602200	956144571	/nfs/dbraw/zinc/14/45/71/956144571.db2.gz	SMIZNLLJMDOION-SNVBAGLBSA-N	-1	0	289.291	0.924	20	30		CCEDRM
N#CC1(CNC(=O)[C@H]2CO[C@H](CCC(=O)[O-])C2)CC1	ZINC001594604035	956159248	/nfs/dbraw/zinc/15/92/48/956159248.db2.gz	NPCFUUMPQXTPGN-NXEZZACHSA-N	-1	0	266.297	0.676	20	30		CCEDRM
N#C[C@@H]1CN(C(=O)[C@@H]2CO[C@@H](CCC(=O)[O-])C2)CCO1	ZINC001594605500	956166487	/nfs/dbraw/zinc/16/64/87/956166487.db2.gz	FOMKPCXRYGQVID-GARJFASQSA-N	-1	0	282.296	0.007	20	30		CCEDRM
N#C[C@H]1CSCCN1C(=O)c1ccc(C(=O)[O-])nc1	ZINC001594606401	956182675	/nfs/dbraw/zinc/18/26/75/956182675.db2.gz	WJMVUGGVDBFKRF-VIFPVBQESA-N	-1	0	277.305	0.861	20	30		CCEDRM
N#CC1CCN(C(=O)NCCOCCOCC(=O)[O-])CC1	ZINC001594606530	956183941	/nfs/dbraw/zinc/18/39/41/956183941.db2.gz	ZIBUNWWVJHIASE-UHFFFAOYSA-N	-1	0	299.327	0.049	20	30		CCEDRM
N#CCCN(CC1CC1)C(=O)[C@H]1CC(C(=O)[O-])=NO1	ZINC001594609958	956197430	/nfs/dbraw/zinc/19/74/30/956197430.db2.gz	GQZCDHKHCZMNKK-SNVBAGLBSA-N	-1	0	265.269	0.368	20	30		CCEDRM
N#CCN1CCC(CNC(=O)[C@H]2CC[C@H]2C(=O)[O-])CC1	ZINC001594610342	956200981	/nfs/dbraw/zinc/20/09/81/956200981.db2.gz	WKYYSEHNQIUYBV-NWDGAFQWSA-N	-1	0	279.340	0.449	20	30		CCEDRM
N#Cc1cc(C(=O)NC2(C(=O)[O-])CCOCC2)ccn1	ZINC001594614048	956227751	/nfs/dbraw/zinc/22/77/51/956227751.db2.gz	IMQWXMVJBLHHGA-UHFFFAOYSA-N	-1	0	275.264	0.317	20	30		CCEDRM
N#Cc1cc(C(=O)N2C[C@@H]3COC[C@]3(C(=O)[O-])C2)cs1	ZINC001594614231	956229933	/nfs/dbraw/zinc/22/99/33/956229933.db2.gz	MJKHIAHEGIOYBB-NOZJJQNGSA-N	-1	0	292.316	0.793	20	30		CCEDRM
CO[C@@H]([C@H](C)NC(=O)[C@@](C)(C#N)CC(=O)[O-])C1CC1	ZINC001593938410	956248111	/nfs/dbraw/zinc/24/81/11/956248111.db2.gz	MZRDFJFECUHXPK-LJUAHTATSA-N	-1	0	268.313	0.921	20	30		CCEDRM
N#Cc1ccc(C2(NC(=O)C(=O)[O-])CCOCC2)cc1	ZINC001594618482	956264314	/nfs/dbraw/zinc/26/43/14/956264314.db2.gz	QRJWCRPGJGBYDH-UHFFFAOYSA-N	-1	0	274.276	0.765	20	30		CCEDRM
N#Cc1ccc(N2CCO[C@@H](C(=O)[O-])C2)c(CO)c1	ZINC001594622035	956290226	/nfs/dbraw/zinc/29/02/26/956290226.db2.gz	XWCKVNWVARVBMP-GFCCVEGCSA-N	-1	0	262.265	0.340	20	30		CCEDRM
N#Cc1ccc(OCC(=O)Nc2c[nH]nc2C(=O)[O-])cc1	ZINC001594623617	956297622	/nfs/dbraw/zinc/29/76/22/956297622.db2.gz	DPSYZCJQTFAHHF-UHFFFAOYSA-N	-1	0	286.247	0.997	20	30		CCEDRM
N#Cc1cccc(CC(=O)NC2(C(=O)[O-])CCOCC2)c1	ZINC001594625099	956306864	/nfs/dbraw/zinc/30/68/64/956306864.db2.gz	DDWQPJDMDWIJHZ-UHFFFAOYSA-N	-1	0	288.303	0.851	20	30		CCEDRM
C[C@@](O)(CNc1cc(F)c(C#N)cc1[N+](=O)[O-])C(=O)[O-]	ZINC001589148684	956324571	/nfs/dbraw/zinc/32/45/71/956324571.db2.gz	XMNPQTUVXXHLRP-LLVKDONJSA-N	-1	0	283.215	0.853	20	30		CCEDRM
N#Cc1cn(CC(=O)[O-])c(=O)n(C[C@@H]2C[C@H]3C[C@H]3C2)c1=O	ZINC001594633413	956358089	/nfs/dbraw/zinc/35/80/89/956358089.db2.gz	SEAXYWVVJFKENE-ILWJIGKKSA-N	-1	0	289.291	0.012	20	30		CCEDRM
C[C@H](OC(=O)CCC(=O)[O-])C(=O)N(C)CCC#N	ZINC001589155629	956371190	/nfs/dbraw/zinc/37/11/90/956371190.db2.gz	KAZLRKYMAFRHHX-QMMMGPOBSA-N	-1	0	256.258	0.155	20	30		CCEDRM
CC(C)c1nnc(CNC(=O)[C@](C)(C#N)CC(=O)[O-])n1C	ZINC001603109592	972186214	/nfs/dbraw/zinc/18/62/14/972186214.db2.gz	HHYMHGPUUNIMMR-ZDUSSCGKSA-N	-1	0	293.327	0.559	20	30		CCEDRM
C[C@]1(C#N)CN(C(=O)N[C@H]2CCC[C@H]2C(=O)[O-])CCO1	ZINC001589181872	956530251	/nfs/dbraw/zinc/53/02/51/956530251.db2.gz	SWJWNDMHAHYUTA-NRUUGDAUSA-N	-1	0	281.312	0.564	20	30		CCEDRM
COCC[C@](C)(C#N)NC(=O)c1cc(C(=O)[O-])nn1C	ZINC001593989869	956826066	/nfs/dbraw/zinc/82/60/66/956826066.db2.gz	ISRIPMHKEJJFGL-GFCCVEGCSA-N	-1	0	280.284	0.167	20	30		CCEDRM
N#CCSc1ccccc1C(=O)N[C@H](CO)C(=O)[O-]	ZINC000037450921	957295153	/nfs/dbraw/zinc/29/51/53/957295153.db2.gz	SMDMJOWHKQHVCG-SECBINFHSA-N	-1	0	280.305	0.478	20	30		CCEDRM
C#CC[C@@H](CO)NC(=O)NC[C@@H](C(=O)[O-])C(C)C	ZINC001588389061	958003862	/nfs/dbraw/zinc/00/38/62/958003862.db2.gz	LNQKFEZKOQEXST-VHSXEESVSA-N	-1	0	256.302	0.027	20	30		CCEDRM
C#C[C@H]1CCCN(C(=O)[C@@H]2CCCN(CC(=O)[O-])C2=O)C1	ZINC001588389634	958010126	/nfs/dbraw/zinc/01/01/26/958010126.db2.gz	YRSYURJOMFKWHA-RYUDHWBXSA-N	-1	0	292.335	0.181	20	30		CCEDRM
C#CC[C@H]1NC(=O)N(Cc2cccc(C(=O)[O-])c2)C1=O	ZINC001588391203	958021011	/nfs/dbraw/zinc/02/10/11/958021011.db2.gz	CTXLIMUUGGBPCN-LLVKDONJSA-N	-1	0	272.260	0.829	20	30		CCEDRM
C=C(Cl)CN1CCS(=O)(=O)C[C@@H]1CC(=O)[O-]	ZINC000087616668	958023993	/nfs/dbraw/zinc/02/39/93/958023993.db2.gz	WENVDPFQWMKAIA-QMMMGPOBSA-N	-1	0	267.734	0.313	20	30		CCEDRM
C#CCN(C(=O)C(=O)NCCC(C)(C)C(=O)[O-])C(C)C	ZINC001588396509	958049436	/nfs/dbraw/zinc/04/94/36/958049436.db2.gz	TYTVEGDQWPBBMA-UHFFFAOYSA-N	-1	0	282.340	0.474	20	30		CCEDRM
C#CCN(CC(=O)[O-])C(=O)[C@H](O)C1CCCCC1	ZINC001588397783	958063608	/nfs/dbraw/zinc/06/36/08/958063608.db2.gz	ULWAKEUMNXXUNC-GFCCVEGCSA-N	-1	0	253.298	0.474	20	30		CCEDRM
C#CCN(CC(=O)[O-])C(=O)CCn1cc([N+](=O)[O-])nc1C	ZINC001588401980	958087785	/nfs/dbraw/zinc/08/77/85/958087785.db2.gz	HYBKONVSAHCMIX-UHFFFAOYSA-N	-1	0	294.267	0.036	20	30		CCEDRM
N#CCSc1ccccc1C(=O)NC[C@H](O)C(=O)[O-]	ZINC000090261226	958098668	/nfs/dbraw/zinc/09/86/68/958098668.db2.gz	AUTOWPHVMLESQL-VIFPVBQESA-N	-1	0	280.305	0.478	20	30		CCEDRM
C#CCN(CC(=O)[O-])C(=O)N[C@@H]1[C@H](C)[C@@H](OC)C1(C)C	ZINC001588410035	958133986	/nfs/dbraw/zinc/13/39/86/958133986.db2.gz	OCZGRWWSCGATDM-MVWJERBFSA-N	-1	0	282.340	0.775	20	30		CCEDRM
C#CCN(CC(=O)[O-])C(=O)N[C@H](COC)C1CCOCC1	ZINC001588409966	958134513	/nfs/dbraw/zinc/13/45/13/958134513.db2.gz	MUTLIPRDCHDXSC-GFCCVEGCSA-N	-1	0	298.339	0.157	20	30		CCEDRM
C#CCN(CC(=O)[O-])C(=O)c1cc2cc[nH]c(=O)c2s1	ZINC001588416961	958167747	/nfs/dbraw/zinc/16/77/47/958167747.db2.gz	YQVRYILPQIWTSK-UHFFFAOYSA-N	-1	0	290.300	0.750	20	30		CCEDRM
C#CCN(CC(=O)[O-])C(=O)c1ccc2[nH]c(=O)oc2c1	ZINC001588419016	958189816	/nfs/dbraw/zinc/18/98/16/958189816.db2.gz	MHSAOGACBAWOAG-UHFFFAOYSA-N	-1	0	274.232	0.693	20	30		CCEDRM
C#CCN(CC(=O)[O-])Cc1cnnn1Cc1ccccc1	ZINC001588425513	958226276	/nfs/dbraw/zinc/22/62/76/958226276.db2.gz	WICTZEOYUABQOK-UHFFFAOYSA-N	-1	0	284.319	0.846	20	30		CCEDRM
C#CCN(CC(=O)[O-])c1nnc(CCOC)n1CC	ZINC001588427041	958238221	/nfs/dbraw/zinc/23/82/21/958238221.db2.gz	KRJFHKXJRDVMAR-UHFFFAOYSA-N	-1	0	266.301	0.011	20	30		CCEDRM
C#CCNC(=O)C1CCN(C(=O)N[C@H](C)CC(=O)[O-])CC1	ZINC001588430795	958259952	/nfs/dbraw/zinc/25/99/52/958259952.db2.gz	OOEOQOSZUXWHAY-SNVBAGLBSA-N	-1	0	295.339	0.021	20	30		CCEDRM
C#CCN1CCCN(C(=O)[C@H]2CC[C@@H](C(=O)[O-])C2)CC1	ZINC001588431489	958271192	/nfs/dbraw/zinc/27/11/92/958271192.db2.gz	ZEBDLURLMZOORU-QWHCGFSZSA-N	-1	0	278.352	0.655	20	30		CCEDRM
C#CCn1cc(CNC(=O)C2(CC(=O)[O-])CCC2)cn1	ZINC001588433477	958297208	/nfs/dbraw/zinc/29/72/08/958297208.db2.gz	RJHMNTXKKVVCMS-UHFFFAOYSA-N	-1	0	275.308	0.778	20	30		CCEDRM
C#CCn1ccc(CN(CC)C(=O)N[C@@H](C)CC(=O)[O-])n1	ZINC001588434195	958304858	/nfs/dbraw/zinc/30/48/58/958304858.db2.gz	ZVSZJPBEAKVIOD-NSHDSACASA-N	-1	0	292.339	0.911	20	30		CCEDRM
C=C(Cl)CNC(=O)C(=O)Nc1cncc(C(=O)[O-])c1	ZINC001588445943	958377729	/nfs/dbraw/zinc/37/77/29/958377729.db2.gz	WMHADHIBWUCMKY-UHFFFAOYSA-N	-1	0	283.671	0.587	20	30		CCEDRM
C=C(Cl)C[C@@H]1NC(=O)N(CCOCC(=O)[O-])C1=O	ZINC001588445996	958378665	/nfs/dbraw/zinc/37/86/65/958378665.db2.gz	YCUMEKFHZDDMMZ-ZETCQYMHSA-N	-1	0	276.676	0.151	20	30		CCEDRM
C=C[C@@H](N[C@H](Cc1ccccc1)C(=O)[O-])C(=O)OC	ZINC001588452379	958421866	/nfs/dbraw/zinc/42/18/66/958421866.db2.gz	OFJDILVMMVTXDB-VXGBXAGGSA-N	-1	0	263.293	1.000	20	30		CCEDRM
C=C[C@@H](O)C(=O)N[C@H](C)[C@@H]1C[C@H](C(=O)[O-])C1(C)C	ZINC001588452345	958422460	/nfs/dbraw/zinc/42/24/60/958422460.db2.gz	NXQASRCXHANSLK-UTINFBMNSA-N	-1	0	255.314	0.785	20	30		CCEDRM
C=CCCCn1nnnc1N1CC[C@H](C(=O)[O-])C1	ZINC001588459845	958470013	/nfs/dbraw/zinc/47/00/13/958470013.db2.gz	HPAQVZGTYSAOIX-VIFPVBQESA-N	-1	0	251.290	0.550	20	30		CCEDRM
C#CCN(CC(=O)[O-])S(=O)(=O)C[C@@H]1CCC(F)(F)C1	ZINC001573321087	958480156	/nfs/dbraw/zinc/48/01/56/958480156.db2.gz	RLISLKBVZIKFLV-SECBINFHSA-N	-1	0	295.307	0.771	20	30		CCEDRM
C=CCN1CC[C@H](N(C)C(=O)[C@]2(C(=O)[O-])CC2(C)C)C1=O	ZINC001588464288	958490190	/nfs/dbraw/zinc/49/01/90/958490190.db2.gz	NDNHDHQOKZRQDM-BONVTDFDSA-N	-1	0	294.351	0.733	20	30		CCEDRM
C=CCN1CC[C@H](OC(=O)c2ncccc2C(=O)[O-])C1=O	ZINC001588465329	958501308	/nfs/dbraw/zinc/50/13/08/958501308.db2.gz	CACYGCKJHRGXEX-JTQLQIEISA-N	-1	0	290.275	0.724	20	30		CCEDRM
C=CCNC(=O)CN[C@@H](C(=O)[O-])c1ccc(F)cc1	ZINC001588465591	958506296	/nfs/dbraw/zinc/50/62/96/958506296.db2.gz	VIXQYKSJJGMQFW-GFCCVEGCSA-N	-1	0	266.272	0.843	20	30		CCEDRM
C=C[C@@H]1OCC[C@H]1NC(=O)[C@]1(C(=O)[O-])CCCO1	ZINC001588478410	958565189	/nfs/dbraw/zinc/56/51/89/958565189.db2.gz	LMLLUXLEQPUIOL-PTRXPTGYSA-N	-1	0	255.270	0.080	20	30		CCEDRM
C#CCCNS(=O)(=O)c1scnc1C(=O)[O-]	ZINC000129344803	958699321	/nfs/dbraw/zinc/69/93/21/958699321.db2.gz	SALPVHRHVPRLLJ-UHFFFAOYSA-N	-1	0	260.296	0.143	20	30		CCEDRM
N#C[C@H]1CN(C(=O)c2ccc(C(=O)[O-])o2)CCO1	ZINC000132821183	958804915	/nfs/dbraw/zinc/80/49/15/958804915.db2.gz	NYNKKKILMMGDBY-ZETCQYMHSA-N	-1	0	250.210	0.342	20	30		CCEDRM
C[C@@](C#N)(CC(=O)[O-])C(=O)N1CC([C@@H]2CCOC2)C1	ZINC001588535879	958931915	/nfs/dbraw/zinc/93/19/15/958931915.db2.gz	RSLVQZUBRRCOFE-RNCFNFMXSA-N	-1	0	266.297	0.486	20	30		CCEDRM
C[C@](C#N)(CC(=O)[O-])C(=O)NC[C@@H](CO)c1cccnc1	ZINC001588538497	958943021	/nfs/dbraw/zinc/94/30/21/958943021.db2.gz	IVWKOVUECWKREM-SMDDNHRTSA-N	-1	0	291.307	0.278	20	30		CCEDRM
C[C@](C#N)(CC(=O)[O-])C(=O)N[C@H]1CCC[C@@H]1CCO	ZINC001588539011	958949678	/nfs/dbraw/zinc/94/96/78/958949678.db2.gz	TWZPEPNSLFHJNT-GBIKHYSHSA-N	-1	0	268.313	0.658	20	30		CCEDRM
C[C@](C#N)(CC(=O)[O-])C(=O)OC[C@@H]1C[C@@]12CCOC2	ZINC001588540427	958962014	/nfs/dbraw/zinc/96/20/14/958962014.db2.gz	ZJMOGDNPNSWQSA-ZWKOPEQDSA-N	-1	0	267.281	0.961	20	30		CCEDRM
C[C@@](C#N)(NC(=O)COC(=O)[C@H](C(=O)[O-])C1CC1)C1CC1	ZINC001588542710	958973075	/nfs/dbraw/zinc/97/30/75/958973075.db2.gz	CEXQPRUJLVQHMP-FZMZJTMJSA-N	-1	0	294.307	0.449	20	30		CCEDRM
C[C@@H](C#N)OCCOC(=O)[C@@H]1CC[C@H](C(=O)[O-])C1	ZINC001588543024	958975775	/nfs/dbraw/zinc/97/57/75/958975775.db2.gz	GXXNCCHJPWOAFN-LPEHRKFASA-N	-1	0	255.270	0.959	20	30		CCEDRM
C[C@H](C#N)CNC(=O)C1(CC(=O)[O-])CCOCC1	ZINC001588543780	958983592	/nfs/dbraw/zinc/98/35/92/958983592.db2.gz	RMTPCCJBYKCBRA-SECBINFHSA-N	-1	0	254.286	0.534	20	30		CCEDRM
CC(C)[C@@H](C(=O)[O-])C(=O)NCc1cncc(C#N)c1	ZINC001573489912	959009373	/nfs/dbraw/zinc/00/93/73/959009373.db2.gz	QEFWFFAMPIJEJD-LLVKDONJSA-N	-1	0	261.281	0.926	20	30		CCEDRM
C#CC[C@@H](NS(=O)(=O)c1cc(C#N)ccc1C)C(=O)[O-]	ZINC000159586499	959121993	/nfs/dbraw/zinc/12/19/93/959121993.db2.gz	NVYNZCAHCLKMDI-LLVKDONJSA-N	-1	0	292.316	0.622	20	30		CCEDRM
C#CCN(CC1CC1)C(=O)NCCn1cc(C(=O)[O-])nn1	ZINC000161897476	959200496	/nfs/dbraw/zinc/20/04/96/959200496.db2.gz	NUJGNFLZURYWTA-UHFFFAOYSA-N	-1	0	291.311	0.031	20	30		CCEDRM
C#CCN(C)S(=O)(=O)c1cccc(C(=O)[O-])c1	ZINC000164447990	959256750	/nfs/dbraw/zinc/25/67/50/959256750.db2.gz	RWQYMKBVLHUTKN-UHFFFAOYSA-N	-1	0	253.279	0.639	20	30		CCEDRM
C[C@](O)(CNC(=O)[C@@]1(C#N)CC2CCC1CC2)C(=O)[O-]	ZINC001603256346	972441249	/nfs/dbraw/zinc/44/12/49/972441249.db2.gz	OZJGWOYPVGJLCN-GSNUKPDKSA-N	-1	0	280.324	0.658	20	30		CCEDRM
CC(C)(C(=O)[O-])n1ccc(NC(=O)NCCC#N)n1	ZINC001588627143	959586950	/nfs/dbraw/zinc/58/69/50/959586950.db2.gz	ZDBXXQFQWBODFC-UHFFFAOYSA-N	-1	0	265.273	0.738	20	30		CCEDRM
CC(C)(C)[C@H](C(=O)[O-])C(=O)N1CCN(C(=O)CC#N)CC1	ZINC001588632582	959622424	/nfs/dbraw/zinc/62/24/24/959622424.db2.gz	VXUDNFAPCZHNNN-NSHDSACASA-N	-1	0	295.339	0.318	20	30		CCEDRM
C[C@H]1CC[C@H](C(=O)[O-])CN1c1cnc(C#N)c(C#N)n1	ZINC001573713052	959860952	/nfs/dbraw/zinc/86/09/52/959860952.db2.gz	WVJKUEMJCACCCD-IUCAKERBSA-N	-1	0	271.280	0.909	20	30		CCEDRM
CCN(C[C@H](C)C#N)S(=O)(=O)c1cc(C(=O)[O-])[nH]n1	ZINC001571030036	960474977	/nfs/dbraw/zinc/47/49/77/960474977.db2.gz	LZGPCMKXBIHYHP-SSDOTTSWSA-N	-1	0	286.313	0.278	20	30		CCEDRM
Cc1cc(C(=O)N2CCC[C@@H](O)[C@H]2C(=O)[O-])ncc1C#N	ZINC001571034903	960514709	/nfs/dbraw/zinc/51/47/09/960514709.db2.gz	ADWUZEUBHXNMCU-NEPJUHHUSA-N	-1	0	289.291	0.312	20	30		CCEDRM
Cc1cc(C#N)cnc1C(=O)NC[C@H]1CCO[C@H]1C(=O)[O-]	ZINC001571035336	960524614	/nfs/dbraw/zinc/52/46/14/960524614.db2.gz	MFKCIVCSPCNGBM-ZYHUDNBSSA-N	-1	0	289.291	0.481	20	30		CCEDRM
N#CCCNS(=O)(=O)c1ccccc1C(=O)[O-]	ZINC001198730648	960574673	/nfs/dbraw/zinc/57/46/73/960574673.db2.gz	UVYTZZMHAXTOFR-UHFFFAOYSA-N	-1	0	254.267	0.577	20	30		CCEDRM
CCC(CC)CN(CCC#N)CC(=O)NCC(=O)[O-]	ZINC001573791641	960757625	/nfs/dbraw/zinc/75/76/25/960757625.db2.gz	VSFAKEGVSBJEBQ-UHFFFAOYSA-N	-1	0	269.345	0.839	20	30		CCEDRM
N#CC1(C(=O)[O-])CCN(C(=O)c2nccn3ccnc23)CC1	ZINC001571066919	960842297	/nfs/dbraw/zinc/84/22/97/960842297.db2.gz	MTRFJUSWCBMRCP-UHFFFAOYSA-N	-1	0	299.290	0.560	20	30		CCEDRM
Cc1nccnc1[C@H](C)NC(=O)[C@](C)(C#N)CC(=O)[O-]	ZINC001574429713	961387769	/nfs/dbraw/zinc/38/77/69/961387769.db2.gz	YCPUAZBZZZRWPF-ZANVPECISA-N	-1	0	276.296	0.967	20	30		CCEDRM
N#Cc1cc(C(=O)NC2(C(=O)[O-])CCOCC2)co1	ZINC001574479012	961646745	/nfs/dbraw/zinc/64/67/45/961646745.db2.gz	BIEYJSRRWRISGI-UHFFFAOYSA-N	-1	0	264.237	0.515	20	30		CCEDRM
N#CCCN(CC1CC1)C(=O)c1cn(CC(=O)[O-])nn1	ZINC001574481099	961670220	/nfs/dbraw/zinc/67/02/20/961670220.db2.gz	USUSPGKFFDWSJB-UHFFFAOYSA-N	-1	0	277.284	0.129	20	30		CCEDRM
N#Cc1ccc(C(=O)N2C[C@H]3COC[C@@]3(C(=O)[O-])C2)nc1	ZINC001574485367	961675999	/nfs/dbraw/zinc/67/59/99/961675999.db2.gz	FWUHNZAUYKAMLL-HZMBPMFUSA-N	-1	0	287.275	0.126	20	30		CCEDRM
CC(C)C[C@@H](CNC(=O)[C@@H](C)n1cnc(C#N)n1)C(=O)[O-]	ZINC001588847121	961893517	/nfs/dbraw/zinc/89/35/17/961893517.db2.gz	BIDNPWXAKISLOD-ZJUUUORDSA-N	-1	0	293.327	0.574	20	30		CCEDRM
CC(C)C[C@@H](CNC(=O)NCC#CCO)C(=O)[O-]	ZINC001588853001	961954182	/nfs/dbraw/zinc/95/41/82/961954182.db2.gz	TWODOZSMEIDRRZ-JTQLQIEISA-N	-1	0	256.302	0.028	20	30		CCEDRM
CNC(=O)c1c(C)[nH]nc1NC(=O)[C@](C)(C#N)CC(=O)[O-]	ZINC001574039036	962077288	/nfs/dbraw/zinc/07/72/88/962077288.db2.gz	MLUKWLJIWNOGJG-LBPRGKRZSA-N	-1	0	293.283	0.021	20	30		CCEDRM
COC(=O)CC1CC(NC(=O)[C@@](C)(C#N)CC(=O)[O-])C1	ZINC001574055295	962172961	/nfs/dbraw/zinc/17/29/61/962172961.db2.gz	KQCNMODFZFSCRB-KJHLLKJSSA-N	-1	0	282.296	0.449	20	30		CCEDRM
COC(=O)CN(CC#N)C(=O)c1coc(/C=C/C(=O)[O-])c1	ZINC001574066023	962232327	/nfs/dbraw/zinc/23/23/27/962232327.db2.gz	IVPZDEOTHDJSJO-NSCUHMNNSA-N	-1	0	292.247	0.516	20	30		CCEDRM
COC(=O)[C@@H]1CC[C@@H]1NC(=O)[C@@](C)(C#N)CC(=O)[O-]	ZINC001574076653	962269554	/nfs/dbraw/zinc/26/95/54/962269554.db2.gz	MEGHHMZXJMRCPW-RGNHYFCHSA-N	-1	0	268.269	0.059	20	30		CCEDRM
CC(C)NC(=O)[C@H](C)NC(=O)[C@](C)(C#N)CC(=O)[O-]	ZINC001588923401	962416488	/nfs/dbraw/zinc/41/64/88/962416488.db2.gz	XAFKMFLTLIPMLI-UFBFGSQYSA-N	-1	0	269.301	0.020	20	30		CCEDRM
C#CC[C@@H](NC(=O)C(=O)c1ccc(F)cc1)C(=O)[O-]	ZINC001573302931	962666827	/nfs/dbraw/zinc/66/68/27/962666827.db2.gz	SCSRDMJIVNOYOU-SNVBAGLBSA-N	-1	0	263.224	0.601	20	30		CCEDRM
C#CC[C@H](NC(=O)C[C@@H]1CCOC[C@H]1OC)C(=O)[O-]	ZINC001573303565	962678893	/nfs/dbraw/zinc/67/88/93/962678893.db2.gz	ZXOFZYIFLPNYPM-GARJFASQSA-N	-1	0	269.297	0.021	20	30		CCEDRM
C#CC[C@@H](NS(=O)(=O)C[C@@H](C)C1CC1)C(=O)[O-]	ZINC001573303924	962683543	/nfs/dbraw/zinc/68/35/43/962683543.db2.gz	UXJBTHMPTOXIKF-PSASIEDQSA-N	-1	0	259.327	0.428	20	30		CCEDRM
COCCN(CCOC)C(=O)[C@@](C)(C#N)CC(=O)[O-]	ZINC001574159195	962703234	/nfs/dbraw/zinc/70/32/34/962703234.db2.gz	VKFQTMQXODCHSN-GFCCVEGCSA-N	-1	0	272.301	0.112	20	30		CCEDRM
C#CCn1cc(CNC(=O)c2c[nH]c(C(=O)[O-])c2)cn1	ZINC001573311824	962713985	/nfs/dbraw/zinc/71/39/85/962713985.db2.gz	HQUNWWMOLXOZGA-UHFFFAOYSA-N	-1	0	272.264	0.473	20	30		CCEDRM
C#Cc1ccc(S(=O)(=O)N[C@H]2CC[C@H]2C(=O)[O-])cc1	ZINC001573313681	962735162	/nfs/dbraw/zinc/73/51/62/962735162.db2.gz	PDKKTTJCILSJKF-NEPJUHHUSA-N	-1	0	279.317	0.809	20	30		CCEDRM
CON1CCC(NC(=O)[C@](C)(C#N)CC(=O)[O-])CC1	ZINC001574170155	962763872	/nfs/dbraw/zinc/76/38/72/962763872.db2.gz	WBQCTZRWRIKNGZ-LBPRGKRZSA-N	-1	0	269.301	0.133	20	30		CCEDRM
C=C(CCC(=O)[O-])C(=O)NC[C@]1(O)CCSC1	ZINC001573332131	962826157	/nfs/dbraw/zinc/82/61/57/962826157.db2.gz	DUKPRZOKBWOQJY-LLVKDONJSA-N	-1	0	259.327	0.392	20	30		CCEDRM
C=CCC(C)(C)C(=O)N1CC(NC(=O)CNC(=O)[O-])C1	ZINC001573350109	962964783	/nfs/dbraw/zinc/96/47/83/962964783.db2.gz	BMOOIDCLGQXLCH-UHFFFAOYSA-N	-1	0	283.328	0.183	20	30		CCEDRM
C=CCC(F)(F)C(=O)NC[C@H]1CCO[C@H]1C(=O)[O-]	ZINC001573351149	962974133	/nfs/dbraw/zinc/97/41/33/962974133.db2.gz	PXXWVGUTBVTXLJ-HTQZYQBOSA-N	-1	0	263.240	0.804	20	30		CCEDRM
C=CCC1(C(=O)NCCNC(=O)CNC(=O)[O-])CCC1	ZINC001573352617	962990161	/nfs/dbraw/zinc/99/01/61/962990161.db2.gz	HGGVEGBZKVSPFP-UHFFFAOYSA-N	-1	0	283.328	0.233	20	30		CCEDRM
C=CCCC(=O)NC1CC(CNC(=O)CNC(=O)[O-])C1	ZINC001573353001	962995832	/nfs/dbraw/zinc/99/58/32/962995832.db2.gz	NNEYFLKKAOBKIK-UHFFFAOYSA-N	-1	0	283.328	0.231	20	30		CCEDRM
C=CCCC(=O)N1CC(CNC(=O)[C@@H]2C[C@@H]2C(=O)[O-])C1	ZINC001573353478	963002617	/nfs/dbraw/zinc/00/26/17/963002617.db2.gz	WSTYODYNDCGAFH-MNOVXSKESA-N	-1	0	280.324	0.248	20	30		CCEDRM
C=CCCC[C@H](NC(=O)Cn1nc(C)oc1=O)C(=O)[O-]	ZINC001573357369	963016616	/nfs/dbraw/zinc/01/66/16/963016616.db2.gz	MCLORRSEQNSGKF-VIFPVBQESA-N	-1	0	283.284	0.070	20	30		CCEDRM
C=CCCCC(=O)N[C@H]1C[C@@H](CNC(=O)CNC(=O)[O-])C1	ZINC001573358266	963025657	/nfs/dbraw/zinc/02/56/57/963025657.db2.gz	XMINVFWUHJQSJD-PHIMTYICSA-N	-1	0	297.355	0.621	20	30		CCEDRM
N#CC1(C(=O)N2CCC(C#N)(C(=O)[O-])CC2)CCC1	ZINC001570976225	963056947	/nfs/dbraw/zinc/05/69/47/963056947.db2.gz	GVGWPILQLDVKHE-UHFFFAOYSA-N	-1	0	261.281	0.897	20	30		CCEDRM
C=C[C@@H]1OCC[C@H]1C(=O)N[C@H](C(=O)[O-])c1cccnc1	ZINC001573379531	963107907	/nfs/dbraw/zinc/10/79/07/963107907.db2.gz	MGFCCZGYADBQQH-WOPDTQHZSA-N	-1	0	276.292	0.915	20	30		CCEDRM
N#C[C@H]1COCCN1C(=O)[C@H]1CCCC[C@H]1C(=O)[O-]	ZINC001570987639	963127643	/nfs/dbraw/zinc/12/76/43/963127643.db2.gz	UKNMOEAFVMTPRN-GARJFASQSA-N	-1	0	266.297	0.628	20	30		CCEDRM
Cc1cc(NC(=O)NC2CN(C(=O)[O-])C2)ncc1C#N	ZINC001571002337	963223856	/nfs/dbraw/zinc/22/38/56/963223856.db2.gz	ULKLASMFIRLISG-UHFFFAOYSA-N	-1	0	275.268	0.745	20	30		CCEDRM
CCc1nc(C#N)cc(N(CCOC)CC(=O)[O-])n1	ZINC000308443448	963278012	/nfs/dbraw/zinc/27/80/12/963278012.db2.gz	ZZVMWXQMJQCEJH-UHFFFAOYSA-N	-1	0	264.285	0.448	20	30		CCEDRM
C=C(CCC(=O)OC)C(=O)N1CCC[C@H]1C(=O)[O-]	ZINC001588444689	964063769	/nfs/dbraw/zinc/06/37/69/964063769.db2.gz	NZYAZMMETZSFRI-VIFPVBQESA-N	-1	0	255.270	0.571	20	30		CCEDRM
C#CCCCN1C(=O)N[C@](C)(CCC(=O)[O-])C1=O	ZINC001588446615	964075699	/nfs/dbraw/zinc/07/56/99/964075699.db2.gz	SUYQFTJDLILCTR-GFCCVEGCSA-N	-1	0	252.270	0.575	20	30		CCEDRM
COC(=O)CC[C@H](NC(=O)c1ccc(C#N)cc1)C(=O)[O-]	ZINC000059985460	967541612	/nfs/dbraw/zinc/54/16/12/967541612.db2.gz	TZFKOZBJDSMUIR-NSHDSACASA-N	-1	0	290.275	0.694	20	30		CCEDRM
C#CCN(CC(=O)[O-])C(=O)c1ccc(CNC(N)=O)cc1	ZINC000092478341	967595889	/nfs/dbraw/zinc/59/58/89/967595889.db2.gz	GCGNQPATEKEDFU-UHFFFAOYSA-N	-1	0	289.291	0.015	20	30		CCEDRM
C#CCN(CC(=O)[O-])CC(=O)Nc1cc(F)cc(F)c1	ZINC000092484836	967597359	/nfs/dbraw/zinc/59/73/59/967597359.db2.gz	HTXQTNTWZNLXQS-UHFFFAOYSA-N	-1	0	282.246	0.923	20	30		CCEDRM
C#C[C@H](C)NC(=O)N1CC[C@@](COC)(C(=O)[O-])C1	ZINC000394101112	968212565	/nfs/dbraw/zinc/21/25/65/968212565.db2.gz	USFIPHQCXFQSAQ-JOYOIKCWSA-N	-1	0	254.286	0.141	20	30		CCEDRM
CC#CCCNC(=O)C(=O)Nc1cccc(CC(=O)[O-])c1	ZINC001609488764	970422114	/nfs/dbraw/zinc/42/21/14/970422114.db2.gz	KITSCSBUVWLNCD-UHFFFAOYSA-N	-1	0	288.303	0.782	20	30		CCEDRM
C[C@@](C#N)(CC(=O)[O-])C(=O)N[C@@H](CO)C1CCCC1	ZINC001609691356	970447897	/nfs/dbraw/zinc/44/78/97/970447897.db2.gz	KVYNWXVCYITBLZ-GWCFXTLKSA-N	-1	0	268.313	0.658	20	30		CCEDRM
C[C@](C#N)(CC(=O)[O-])C(=O)N1CC[C@@H](n2cncn2)C1	ZINC001609691369	970448169	/nfs/dbraw/zinc/44/81/69/970448169.db2.gz	LLBBSHFNSYNFJZ-BXKDBHETSA-N	-1	0	277.284	0.056	20	30		CCEDRM
C[C@](C#N)(CC(=O)[O-])C(=O)N1CC[C@H](n2cncn2)C1	ZINC001609691375	970448264	/nfs/dbraw/zinc/44/82/64/970448264.db2.gz	LLBBSHFNSYNFJZ-JOYOIKCWSA-N	-1	0	277.284	0.056	20	30		CCEDRM
C[C@](C#N)(CC(=O)[O-])C(=O)NCC1(C)OCCCO1	ZINC001610054313	970650099	/nfs/dbraw/zinc/65/00/99/970650099.db2.gz	VFNHZWQVPABIDK-LLVKDONJSA-N	-1	0	270.285	0.260	20	30		CCEDRM
C[C@@H]1[C@@H](CO)CCCN1C(=O)[C@@](C)(C#N)CC(=O)[O-]	ZINC001610068310	970654650	/nfs/dbraw/zinc/65/46/50/970654650.db2.gz	QBEMNDDMJMAIHE-GIPNMCIBSA-N	-1	0	268.313	0.610	20	30		CCEDRM
C[C@]1(C(=O)[O-])CCN(C(=O)C(=O)N2CCC[C@H](C#N)C2)C1	ZINC001603297498	972571047	/nfs/dbraw/zinc/57/10/47/972571047.db2.gz	ZXJBWWBNPUZSBG-YGRLFVJLSA-N	-1	0	293.323	0.072	20	30		CCEDRM
C=CC[C@H](CC)NS(=O)(=O)N(C)CCC(=O)[O-]	ZINC000393757678	972637018	/nfs/dbraw/zinc/63/70/18/972637018.db2.gz	IIYXUGRBPKJKDC-VIFPVBQESA-N	-1	0	264.347	0.582	20	30		CCEDRM
C[C@H](NS(=O)(=O)c1ccc(CCC#N)cc1)C(=O)[O-]	ZINC001605050153	972664638	/nfs/dbraw/zinc/66/46/38/972664638.db2.gz	QBSRKWZYDSUXCJ-VIFPVBQESA-N	-1	0	282.321	0.894	20	30		CCEDRM
C=CCCN(C)S(=O)(=O)c1cc(C(=O)[O-])ccn1	ZINC000394126713	972676562	/nfs/dbraw/zinc/67/65/62/972676562.db2.gz	KDGWTDCNWCOGQI-UHFFFAOYSA-N	-1	0	270.310	0.976	20	30		CCEDRM
Cc1cc(C(=O)N2CC[C@@H](C(=O)[O-])C2)ncc1C#N	ZINC001605112179	972769129	/nfs/dbraw/zinc/76/91/29/972769129.db2.gz	KJEGCHASICXYBG-SECBINFHSA-N	-1	0	259.265	0.808	20	30		CCEDRM
CO[C@@H](C(=O)[O-])C(=O)N(CCC#N)CCC(C)C	ZINC001604419887	973175210	/nfs/dbraw/zinc/17/52/10/973175210.db2.gz	FFDWZLYQLFOQFF-SNVBAGLBSA-N	-1	0	256.302	0.874	20	30		CCEDRM
CO[C@@H](C(=O)[O-])C(=O)OCC#Cc1cccc(F)c1F	ZINC001604446325	973265083	/nfs/dbraw/zinc/26/50/83/973265083.db2.gz	RDFOMDVIRHUXFU-NSHDSACASA-N	-1	0	284.214	0.959	20	30		CCEDRM
COC[C@@]1(C(=O)[O-])CCN(C(=O)C2(C#N)CC(C)C2)C1	ZINC001604522590	973463755	/nfs/dbraw/zinc/46/37/55/973463755.db2.gz	AJOBZMGHYMTZOK-IWXRYERYSA-N	-1	0	280.324	0.876	20	30		CCEDRM
Cc1cc(C)c(C#N)c(N2C[C@H](O)C[C@@H](C(=O)[O-])C2)n1	ZINC000401879123	973487239	/nfs/dbraw/zinc/48/72/39/973487239.db2.gz	HANJLMFOPPLSNK-GHMZBOCLSA-N	-1	0	275.308	0.842	20	30		CCEDRM
Cc1nnc(NC(=O)[C@@](C)(C#N)CC(=O)[O-])n1C1CC1	ZINC001605444778	973512352	/nfs/dbraw/zinc/51/23/52/973512352.db2.gz	UPHMLSPEEPUFFJ-GFCCVEGCSA-N	-1	0	277.284	0.865	20	30		CCEDRM
Cn1c(NC(=O)[C@](C)(C#N)CC(=O)[O-])nc2cccnc21	ZINC001605473059	973584136	/nfs/dbraw/zinc/58/41/36/973584136.db2.gz	AWXRMUDYUQVRQX-ZDUSSCGKSA-N	-1	0	287.279	0.911	20	30		CCEDRM
N#Cc1cccc([C@@H]2C[C@H]2C(=O)OCC(=O)C(=O)[O-])c1	ZINC001605619972	973941371	/nfs/dbraw/zinc/94/13/71/973941371.db2.gz	NGTIMPUSHXDBIP-WDEREUQCSA-N	-1	0	273.244	0.859	20	30		CCEDRM
C[C@@H](CC#N)C(=O)N1CC[C@H](n2cc(C(=O)[O-])nn2)C1	ZINC001592213533	977273518	/nfs/dbraw/zinc/27/35/18/977273518.db2.gz	YWEFJEJJIKVKCB-IUCAKERBSA-N	-1	0	277.284	0.299	20	30		CCEDRM
C[C@H](CC=NNC(=S)NC[C@H]1CCCO1)C(=O)[O-]	ZINC001592470392	978221880	/nfs/dbraw/zinc/22/18/80/978221880.db2.gz	HUILJBAHPIDIEC-RKDXNWHRSA-N	-1	0	273.358	0.726	20	30		CCEDRM
C[C@H](CC=NN=C1NS(=O)(=O)c2ccccc21)C(=O)[O-]	ZINC001592470991	978227903	/nfs/dbraw/zinc/22/79/03/978227903.db2.gz	PBPIMPIJBAWFCE-MRVPVSSYSA-N	-1	0	295.320	0.822	20	30		CCEDRM
CC[C@@H](CC#N)NC(=O)C(=O)Nc1cccc(C(=O)[O-])n1	ZINC001595029524	979158401	/nfs/dbraw/zinc/15/84/01/979158401.db2.gz	CBZPPLXPWAFLLV-QMMMGPOBSA-N	-1	0	290.279	0.527	20	30		CCEDRM
CC[C@H](CC#N)N[C@H]1CCCN(CCC(=O)[O-])C1=O	ZINC001595030076	979163822	/nfs/dbraw/zinc/16/38/22/979163822.db2.gz	LBTOZMBZWCLTIE-MNOVXSKESA-N	-1	0	267.329	0.734	20	30		CCEDRM
CCC(CC)(NC(=O)[C@H](C)n1cnc(C#N)n1)C(=O)[O-]	ZINC001595093010	979388281	/nfs/dbraw/zinc/38/82/81/979388281.db2.gz	MUBOGVPLGZFMBZ-QMMMGPOBSA-N	-1	0	279.300	0.470	20	30		CCEDRM
CC[C@@](COC)(NC(=O)Cc1ccc(C#N)nc1)C(=O)[O-]	ZINC001595187773	979849492	/nfs/dbraw/zinc/84/94/92/979849492.db2.gz	CNYBYNAWVJSGJY-AWEZNQCLSA-N	-1	0	291.307	0.492	20	30		CCEDRM
C[C@H](NC(=O)N1CC(O)(C(=O)[O-])C1)c1cccc(C#N)c1	ZINC001593054752	980364973	/nfs/dbraw/zinc/36/49/73/980364973.db2.gz	ZJYOOCOMFYDNSI-VIFPVBQESA-N	-1	0	289.291	0.460	20	30		CCEDRM
CCC/C=C/[C@H](O)C(=O)N(CC#N)CCC(=O)[O-]	ZINC001595626317	981759227	/nfs/dbraw/zinc/75/92/27/981759227.db2.gz	QSNAEIQNLDLVQA-YEZKRMTDSA-N	-1	0	254.286	0.530	20	30		CCEDRM
CCCC[C@@H](ON=C(C)C)C(=O)N[C@H](CO)C(=O)[O-]	ZINC001595651536	982023272	/nfs/dbraw/zinc/02/32/72/982023272.db2.gz	HMVMWPWMVADOIH-NXEZZACHSA-N	-1	0	274.317	0.519	20	30		CCEDRM
CC[C@](C)(NC(=O)Cc1ccc(C#N)nc1)C(=O)[O-]	ZINC001594840310	982049208	/nfs/dbraw/zinc/04/92/08/982049208.db2.gz	LATZRLFQLAOOOM-ZDUSSCGKSA-N	-1	0	261.281	0.865	20	30		CCEDRM
C#CC(=O)N[C@@H]1CCSC2(CC(C(=O)[O-])C2)C1	ZINC001588367535	983300533	/nfs/dbraw/zinc/30/05/33/983300533.db2.gz	XZKGSDVUFKYBFF-NBBOBHDQSA-N	-1	0	253.323	0.865	20	30		CCEDRM
C#C[C@H](CC)NC(=O)C(=O)Nc1ccc(F)cc1C(=O)[O-]	ZINC001588369471	983314214	/nfs/dbraw/zinc/31/42/14/983314214.db2.gz	MWDNVFNSCYXESK-SECBINFHSA-N	-1	0	292.266	0.990	20	30		CCEDRM
C#C[C@H](NC(=O)NC[C@H](CC(=O)[O-])C1CC1)[C@@H]1CCCO1	ZINC001588372279	983329352	/nfs/dbraw/zinc/32/93/52/983329352.db2.gz	HJFLJWUIMIPTPS-AVGNSLFASA-N	-1	0	294.351	0.967	20	30		CCEDRM
C#CC1(F)CN(C(=O)NC[C@H](CC(=O)[O-])C2CC2)C1	ZINC001588376237	983350679	/nfs/dbraw/zinc/35/06/79/983350679.db2.gz	RGSGUVMGBKJFFY-JTQLQIEISA-N	-1	0	268.288	0.854	20	30		CCEDRM
C#CC1(O)CN(Cc2c(C)nn(CCC(=O)[O-])c2C)C1	ZINC001588382421	983370728	/nfs/dbraw/zinc/37/07/28/983370728.db2.gz	OTGFAIWYSSZELX-UHFFFAOYSA-N	-1	0	277.324	0.155	20	30		CCEDRM
C#CCC(C)(C)C(=O)N1CCC([C@H](O)C(=O)[O-])CC1	ZINC001588383567	983382887	/nfs/dbraw/zinc/38/28/87/983382887.db2.gz	DMCVCEOUSVSAQF-NSHDSACASA-N	-1	0	267.325	0.720	20	30		CCEDRM
C#C[C@@H]1COCCN1C(=O)[C@@H]1CCC[C@@H](C(=O)[O-])C1	ZINC001588384222	983387985	/nfs/dbraw/zinc/38/79/85/983387985.db2.gz	ZOQZWNJQVQCQPV-IJLUTSLNSA-N	-1	0	265.309	0.738	20	30		CCEDRM
C#CC[C@H](CO)NC(=O)Nc1ccc(OCC(=O)[O-])cc1	ZINC001588396591	983408822	/nfs/dbraw/zinc/40/88/22/983408822.db2.gz	XYNOKMVSULZFQW-LLVKDONJSA-N	-1	0	292.291	0.656	20	30		CCEDRM
C#CC[C@H](NC(=O)CCCn1ccccc1=O)C(=O)[O-]	ZINC001588404646	983418388	/nfs/dbraw/zinc/41/83/88/983418388.db2.gz	DRUZATCHPFXYTB-NSHDSACASA-N	-1	0	276.292	0.221	20	30		CCEDRM
C#CC[C@@H](NC(=O)CSc1cccc[n+]1[O-])C(=O)[O-]	ZINC001588405715	983422583	/nfs/dbraw/zinc/42/25/83/983422583.db2.gz	SLJSGAXCSQRLEA-SECBINFHSA-N	-1	0	280.305	0.005	20	30		CCEDRM
C#CC[C@@H](NC(=O)/C=C\[C@H]1COC(C)(C)O1)C(=O)[O-]	ZINC001588406252	983424722	/nfs/dbraw/zinc/42/47/22/983424722.db2.gz	OCRMNNCJUQKNMA-SMWNKPDJSA-N	-1	0	267.281	0.287	20	30		CCEDRM
C#CC[C@@H](NC(=O)CC(C)(C)COC(C)=O)C(=O)[O-]	ZINC001588406246	983424726	/nfs/dbraw/zinc/42/47/26/983424726.db2.gz	OBKIBNLWFISKGF-SNVBAGLBSA-N	-1	0	269.297	0.559	20	30		CCEDRM
C#CC[C@@H](NC(=O)c1cncc(-c2cnn(C)c2)c1)C(=O)[O-]	ZINC001588417032	983438165	/nfs/dbraw/zinc/43/81/65/983438165.db2.gz	VGSNNTUOGVXYOF-CYBMUJFWSA-N	-1	0	298.302	0.688	20	30		CCEDRM
CCCn1cc(CN(CC#N)CCC(=O)[O-])nn1	ZINC001596113485	983443084	/nfs/dbraw/zinc/44/30/84/983443084.db2.gz	KWKGHBPEDGIIDL-UHFFFAOYSA-N	-1	0	251.290	0.488	20	30		CCEDRM
C#CCC1(NC(=O)NC[C@H]2C[C@H]2C(=O)[O-])CCC1	ZINC001588427693	983457737	/nfs/dbraw/zinc/45/77/37/983457737.db2.gz	IRSAQXKNQCIZDO-NXEZZACHSA-N	-1	0	250.298	0.952	20	30		CCEDRM
C#CCC1(NC(=O)c2cc(C(=O)[O-])no2)CCOCC1	ZINC001588427845	983458584	/nfs/dbraw/zinc/45/85/84/983458584.db2.gz	OFNATVHPNHHFLL-UHFFFAOYSA-N	-1	0	278.264	0.675	20	30		CCEDRM
C#CCC1(NS(=O)(=O)CCCC(=O)[O-])CCC1	ZINC001588427927	983459006	/nfs/dbraw/zinc/45/90/06/983459006.db2.gz	RPORYGXYVDYUBO-UHFFFAOYSA-N	-1	0	259.327	0.717	20	30		CCEDRM
C#CCC1(O)CCN(C(=O)c2cc(C(=O)[O-])nn2C)CC1	ZINC001588431149	983464530	/nfs/dbraw/zinc/46/45/30/983464530.db2.gz	IAASYUWLQADMDW-UHFFFAOYSA-N	-1	0	291.307	0.109	20	30		CCEDRM
C#CC[C@@H]1CCN(C(=O)NC[C@H]2CCO[C@H]2C(=O)[O-])C1	ZINC001588434919	983473239	/nfs/dbraw/zinc/47/32/39/983473239.db2.gz	XTZMQIZOGLSTCP-IJLUTSLNSA-N	-1	0	280.324	0.531	20	30		CCEDRM
C#CCC[C@@H](O)CNC(=O)c1ccc(C(=O)[O-])n1C	ZINC001588435090	983474198	/nfs/dbraw/zinc/47/41/98/983474198.db2.gz	CMRLXFJIBNMYBT-SECBINFHSA-N	-1	0	264.281	0.227	20	30		CCEDRM
C#CCCn1nnnc1N1CCC[C@H](CCC(=O)[O-])C1	ZINC001588457614	983482007	/nfs/dbraw/zinc/48/20/07/983482007.db2.gz	FDGYGPDZPHQLMM-LLVKDONJSA-N	-1	0	277.328	0.778	20	30		CCEDRM
C#CCCS(=O)(=O)NC[C@H](Cc1ccccc1)C(=O)[O-]	ZINC001588457635	983482101	/nfs/dbraw/zinc/48/21/01/983482101.db2.gz	FZLVGYGEAWVCOC-ZDUSSCGKSA-N	-1	0	295.360	0.873	20	30		CCEDRM
C#CCN(C)C(=O)C(=O)Nc1sc(C)cc1C(=O)[O-]	ZINC001588461640	983490881	/nfs/dbraw/zinc/49/08/81/983490881.db2.gz	WFJACQSEEODUCR-UHFFFAOYSA-N	-1	0	280.305	0.785	20	30		CCEDRM
C#CCN(CC#N)S(=O)(=O)c1occc1C(=O)[O-]	ZINC001588465612	983495808	/nfs/dbraw/zinc/49/58/08/983495808.db2.gz	AKACJHSEOSGGEI-UHFFFAOYSA-N	-1	0	268.250	0.125	20	30		CCEDRM
C#CCN(CC(=O)OC(C)(C)C)C(=O)[C@H]1C[C@@H](C(=O)[O-])C1	ZINC001588465840	983496641	/nfs/dbraw/zinc/49/66/41/983496641.db2.gz	JWMGFBUAKQGIEO-PHIMTYICSA-N	-1	0	295.335	0.901	20	30		CCEDRM
C#CCN(CC)S(=O)(=O)c1cccnc1C(=O)[O-]	ZINC001588468084	983500471	/nfs/dbraw/zinc/50/04/71/983500471.db2.gz	OETADCYYJOIJFR-UHFFFAOYSA-N	-1	0	268.294	0.424	20	30		CCEDRM
C#CCN1CCC[C@@H](NC(=O)NC/C=C(\C)C(=O)[O-])C1	ZINC001588477179	983514734	/nfs/dbraw/zinc/51/47/34/983514734.db2.gz	VXBPLOAGXFLKFA-IGEMTJHASA-N	-1	0	279.340	0.414	20	30		CCEDRM
C#CCN1CCC[C@H](Nc2ncnc(C(=O)[O-])c2OC)C1	ZINC001588477608	983516927	/nfs/dbraw/zinc/51/69/27/983516927.db2.gz	WLOCEBKOBUVICW-JTQLQIEISA-N	-1	0	290.323	0.693	20	30		CCEDRM
C#CCO[C@@H](C)C(=O)Nc1c(C(=O)[O-])c(C)nn1C	ZINC001588490072	983530530	/nfs/dbraw/zinc/53/05/30/983530530.db2.gz	GQMCZXWOYAXKOV-QMMMGPOBSA-N	-1	0	265.269	0.404	20	30		CCEDRM
C#CCOCCN(C)S(=O)(=O)c1cncc(C(=O)[O-])c1	ZINC001588491557	983536796	/nfs/dbraw/zinc/53/67/96/983536796.db2.gz	PJCBSALRIBAEOX-UHFFFAOYSA-N	-1	0	298.320	0.050	20	30		CCEDRM
C#CCSCCOC(=O)Cn1cccc(C(=O)[O-])c1=O	ZINC001588509474	983553051	/nfs/dbraw/zinc/55/30/51/983553051.db2.gz	HAKQRVIMCZRRHS-UHFFFAOYSA-N	-1	0	295.316	0.456	20	30		CCEDRM
C#CCn1cc(CNc2cnc(C(=O)[O-])cn2)cn1	ZINC001588510088	983554408	/nfs/dbraw/zinc/55/44/08/983554408.db2.gz	YAVQBIKPYVZESC-UHFFFAOYSA-N	-1	0	257.253	0.617	20	30		CCEDRM
C=C(C)C[C@@H](NC(=O)[C@@H]1CCCS(=O)(=O)C1)C(=O)[O-]	ZINC001588540277	983603140	/nfs/dbraw/zinc/60/31/40/983603140.db2.gz	CDSKKQSVRQFDFI-NXEZZACHSA-N	-1	0	289.353	0.347	20	30		CCEDRM
C=C(C)C[C@H](NC(=O)[C@@H]1CCCN(C(C)=O)C1)C(=O)[O-]	ZINC001588540924	983605899	/nfs/dbraw/zinc/60/58/99/983605899.db2.gz	PAENGHUTTJKQTM-NEPJUHHUSA-N	-1	0	282.340	0.781	20	30		CCEDRM
C=C(C)C[C@@H](NC(=O)CCn1cnccc1=O)C(=O)[O-]	ZINC001588542724	983609508	/nfs/dbraw/zinc/60/95/08/983609508.db2.gz	PAZYYKAIAFSZRZ-SNVBAGLBSA-N	-1	0	279.296	0.169	20	30		CCEDRM
C=C(C)C[C@@H](NC(C)=O)C(=O)N1CC[C@@H]1C(=O)[O-]	ZINC001588548034	983622861	/nfs/dbraw/zinc/62/28/61/983622861.db2.gz	PWIZZMCTEYPINO-NXEZZACHSA-N	-1	0	254.286	0.143	20	30		CCEDRM
CCN(C[C@H](C)C#N)C(=O)Cn1ccc(C(=O)[O-])n1	ZINC001596230986	983625354	/nfs/dbraw/zinc/62/53/54/983625354.db2.gz	FLPOSOSLTAKIKP-SECBINFHSA-N	-1	0	264.285	0.589	20	30		CCEDRM
CCN(C[C@H](C)C#N)S(=O)(=O)NC1CC(C(=O)[O-])C1	ZINC001596231119	983625758	/nfs/dbraw/zinc/62/57/58/983625758.db2.gz	GZKPZEVDVQTSQB-XNWIYYODSA-N	-1	0	289.357	0.166	20	30		CCEDRM
C=C(C)C[C@@H](NC(=O)c1cccn2c(=O)[nH]nc12)C(=O)[O-]	ZINC001588549102	983626545	/nfs/dbraw/zinc/62/65/45/983626545.db2.gz	XOJNTFZGARRLCC-SECBINFHSA-N	-1	0	290.279	0.584	20	30		CCEDRM
C=C(C)C[C@@H](NS(=O)(=O)CCC(=O)OCC)C(=O)[O-]	ZINC001588553870	983628914	/nfs/dbraw/zinc/62/89/14/983628914.db2.gz	UQFRXKOUBKAVPC-SECBINFHSA-N	-1	0	293.341	0.278	20	30		CCEDRM
C=C(C)CCC(=O)Nc1[nH]nc(OCCO)c1C(=O)[O-]	ZINC001588554350	983630645	/nfs/dbraw/zinc/63/06/45/983630645.db2.gz	DTWNHGDTUYNIMG-UHFFFAOYSA-N	-1	0	283.284	0.774	20	30		CCEDRM
C=C(C)CS(=O)(=O)N[C@@H](CCC1OCCO1)C(=O)[O-]	ZINC001588576869	983654380	/nfs/dbraw/zinc/65/43/80/983654380.db2.gz	DHSGIDWLKDCLFJ-VIFPVBQESA-N	-1	0	293.341	0.088	20	30		CCEDRM
C=C(C)CS(=O)(=O)N[C@H](CCC1OCCO1)C(=O)[O-]	ZINC001588576868	983654388	/nfs/dbraw/zinc/65/43/88/983654388.db2.gz	DHSGIDWLKDCLFJ-SECBINFHSA-N	-1	0	293.341	0.088	20	30		CCEDRM
C=C(C)CNC(=O)N1C[C@H](C(=O)[O-])[C@H](C(=O)OC)C1	ZINC001588585349	983663123	/nfs/dbraw/zinc/66/31/23/983663123.db2.gz	NEPNHBLEAWVEGF-DTWKUNHWSA-N	-1	0	270.285	0.078	20	30		CCEDRM
C=C(CCC(=O)[O-])C(=O)N1CCN(CC(C)C)C(=O)C1	ZINC001588615012	983709330	/nfs/dbraw/zinc/70/93/30/983709330.db2.gz	HIUWYAVMKGEWKX-UHFFFAOYSA-N	-1	0	282.340	0.734	20	30		CCEDRM
C=C(CCC(=O)[O-])C(=O)N[C@H](C)c1nnc(CC)[nH]1	ZINC001588621780	983720627	/nfs/dbraw/zinc/72/06/27/983720627.db2.gz	JTAPWRMFHYONJR-MRVPVSSYSA-N	-1	0	266.301	0.965	20	30		CCEDRM
C=C(CCC(=O)[O-])C(=O)N[C@H](CO)C1CCOCC1	ZINC001588622433	983723678	/nfs/dbraw/zinc/72/36/78/983723678.db2.gz	YDWASBPTGUEKTK-LLVKDONJSA-N	-1	0	271.313	0.311	20	30		CCEDRM
CCN(CCC#N)S(=O)(=O)N[C@@H](CC1CC1)C(=O)[O-]	ZINC001596300306	983728964	/nfs/dbraw/zinc/72/89/64/983728964.db2.gz	UBIXBCLGFBPRTP-JTQLQIEISA-N	-1	0	289.357	0.310	20	30		CCEDRM
C=C(CCC(=O)[O-])C(=O)NCCOC[C@H]1CCCO1	ZINC001588624432	983731997	/nfs/dbraw/zinc/73/19/97/983731997.db2.gz	IKJXTYTWVTWHOW-LLVKDONJSA-N	-1	0	271.313	0.719	20	30		CCEDRM
C=C(Cl)CN1CC[C@H](n2cc(C(=O)[O-])nn2)C1	ZINC001588641878	983763624	/nfs/dbraw/zinc/76/36/24/983763624.db2.gz	KUYFQKUZRHJWFJ-QMMMGPOBSA-N	-1	0	256.693	0.976	20	30		CCEDRM
C=C(Cl)C[C@H]1NC(=O)N(OCCCC(=O)[O-])C1=O	ZINC001588642174	983764343	/nfs/dbraw/zinc/76/43/43/983764343.db2.gz	QXBPYXCGYHSTHG-SSDOTTSWSA-N	-1	0	276.676	0.846	20	30		CCEDRM
C=CC(C)(C)C(=O)N1CC(N(C)C(=O)[C@H]2C[C@H]2C(=O)[O-])C1	ZINC001588671498	983820264	/nfs/dbraw/zinc/82/02/64/983820264.db2.gz	BVTSUNXTPWAXMV-WDEREUQCSA-N	-1	0	294.351	0.589	20	30		CCEDRM
C=C[C@](C)(O)C(=O)N1CCC2(CC(C(=O)[O-])=NO2)CC1	ZINC001588681891	983842737	/nfs/dbraw/zinc/84/27/37/983842737.db2.gz	FWKYUQNNCBHJGK-LBPRGKRZSA-N	-1	0	282.296	0.146	20	30		CCEDRM
C=C[C@](C)(O)CC(=O)N[C@@H](CCC1OCCO1)C(=O)[O-]	ZINC001588684388	983858617	/nfs/dbraw/zinc/85/86/17/983858617.db2.gz	PSDMQBITAMGHFY-ZANVPECISA-N	-1	0	287.312	0.036	20	30		CCEDRM
C=C[C@](C)(O)CC(=O)N[C@@]1(CC(=O)[O-])CCOC1	ZINC001588684338	983858678	/nfs/dbraw/zinc/85/86/78/983858678.db2.gz	OXXZWUJICOCIBF-NWDGAFQWSA-N	-1	0	257.286	0.064	20	30		CCEDRM
C=C[C@H](C)ONC(=O)CCc1ocnc1C(=O)[O-]	ZINC001588687332	983870365	/nfs/dbraw/zinc/87/03/65/983870365.db2.gz	NDWKAGGRVXPCII-ZETCQYMHSA-N	-1	0	254.242	0.928	20	30		CCEDRM
C=C[C@H](COC)NC(=O)NCc1ccc(C(=O)[O-])o1	ZINC001588692623	983884213	/nfs/dbraw/zinc/88/42/13/983884213.db2.gz	FXWIODZPRZEOLQ-MRVPVSSYSA-N	-1	0	268.269	0.978	20	30		CCEDRM
C=C[C@@H](N[C@H](Cc1cncs1)C(=O)[O-])C(=O)OC	ZINC001588694899	983899927	/nfs/dbraw/zinc/89/99/27/983899927.db2.gz	FTQIBJQGITVKLP-RKDXNWHRSA-N	-1	0	270.310	0.456	20	30		CCEDRM
CCN(Cn1nc(C(=O)[O-])cc1C(=O)OC)[C@H](C)C#N	ZINC001596380316	983900062	/nfs/dbraw/zinc/90/00/62/983900062.db2.gz	BPWBHRKXWIHLGT-MRVPVSSYSA-N	-1	0	280.284	0.559	20	30		CCEDRM
C=C[C@H](N[C@@H](Cc1ccccc1)C(=O)[O-])C(=O)OC	ZINC001588696497	983903129	/nfs/dbraw/zinc/90/31/29/983903129.db2.gz	OFJDILVMMVTXDB-RYUDHWBXSA-N	-1	0	263.293	1.000	20	30		CCEDRM
C=C[C@H](OC(=O)[C@H](CC(=C)C)NC(C)=O)C(=O)[O-]	ZINC001588704551	983924106	/nfs/dbraw/zinc/92/41/06/983924106.db2.gz	GDHQLFGXCHMBEY-UWVGGRQHSA-N	-1	0	255.270	0.640	20	30		CCEDRM
C=C[C@@H](OC(=O)c1cnc(C(=O)[O-])cn1)C(=O)OCC	ZINC001588713343	983948803	/nfs/dbraw/zinc/94/88/03/983948803.db2.gz	VCEHYFVNGXIVBA-SECBINFHSA-N	-1	0	280.236	0.449	20	30		CCEDRM
C=C[C@H](Sc1nnnn1CC(F)(F)F)C(=O)[O-]	ZINC001588714954	983954003	/nfs/dbraw/zinc/95/40/03/983954003.db2.gz	QIXJPRCWQYTQNL-BYPYZUCNSA-N	-1	0	268.220	0.967	20	30		CCEDRM
C=CC[C@H](C(=O)[O-])N1CCO[C@@](C)(C(=O)OCC)C1	ZINC001588731060	984004940	/nfs/dbraw/zinc/00/49/40/984004940.db2.gz	CKAOGOUYRUOSID-ZWNOBZJWSA-N	-1	0	271.313	0.670	20	30		CCEDRM
C=CC[C@H](C(=O)[O-])N1CCO[C@H](Cn2ccnn2)C1	ZINC001588731602	984009353	/nfs/dbraw/zinc/00/93/53/984009353.db2.gz	LCTGOKASNLINNI-WDEREUQCSA-N	-1	0	266.301	0.008	20	30		CCEDRM
C=CC[C@H](C(=O)OC)N1CCC([C@H](O)C(=O)[O-])CC1	ZINC001588732013	984014525	/nfs/dbraw/zinc/01/45/25/984014525.db2.gz	UFZQZMPXFMXJOE-MNOVXSKESA-N	-1	0	271.313	0.262	20	30		CCEDRM
C=CCC(C)(C)C(=O)NC1CN(C(=O)[C@@H]2C[C@H]2C(=O)[O-])C1	ZINC001588732245	984017523	/nfs/dbraw/zinc/01/75/23/984017523.db2.gz	XKASBGUYPHVMLO-GHMZBOCLSA-N	-1	0	294.351	0.636	20	30		CCEDRM
C=CC[C@H](C)NC(=O)C(=O)Nc1cccc(C(=O)[O-])n1	ZINC001588736535	984026031	/nfs/dbraw/zinc/02/60/31/984026031.db2.gz	NMIRCAYUWYISQD-QMMMGPOBSA-N	-1	0	277.280	0.799	20	30		CCEDRM
C=CCC(F)(F)C(=O)N[C@H](Cc1c[nH]cn1)C(=O)[O-]	ZINC001588742701	984033786	/nfs/dbraw/zinc/03/37/86/984033786.db2.gz	JGHQTMZOLDVWFC-MRVPVSSYSA-N	-1	0	273.239	0.733	20	30		CCEDRM
C=CC[C@@H](CO)NC(=O)Nc1cc(C(=O)[O-])n(C)n1	ZINC001588744730	984045377	/nfs/dbraw/zinc/04/53/77/984045377.db2.gz	QBIDBAIYAMDTHY-ZETCQYMHSA-N	-1	0	268.273	0.177	20	30		CCEDRM
C=CC[C@@H](N[C@H](C)c1nnnn1C1CC1)C(=O)[O-]	ZINC001588745538	984052582	/nfs/dbraw/zinc/05/25/82/984052582.db2.gz	KINJHYLBRPBSKK-VXNVDRBHSA-N	-1	0	251.290	0.688	20	30		CCEDRM
C=CC[C@@H](OC(=O)[C@](C)(O)Cn1ccccc1=O)C(=O)[O-]	ZINC001588750178	984069962	/nfs/dbraw/zinc/06/99/62/984069962.db2.gz	CJDHFRWIRLCSGA-QMTHXVAHSA-N	-1	0	295.291	0.172	20	30		CCEDRM
C=CC[C@@H](OC(=O)C(C)(C)CNC(C)=O)C(=O)[O-]	ZINC001588752277	984080304	/nfs/dbraw/zinc/08/03/04/984080304.db2.gz	VBMBWDIOCCAVGS-SECBINFHSA-N	-1	0	257.286	0.721	20	30		CCEDRM
C=CC[C@@H](OC(=O)[C@@H]1CCNC(=O)CC1)C(=O)[O-]	ZINC001588753152	984082823	/nfs/dbraw/zinc/08/28/23/984082823.db2.gz	BATXNIUMVBGIIQ-DTWKUNHWSA-N	-1	0	255.270	0.475	20	30		CCEDRM
C=CC[C@H](OC(=O)C[C@@H]1CCC(=O)NC1)C(=O)[O-]	ZINC001588753483	984086444	/nfs/dbraw/zinc/08/64/44/984086444.db2.gz	IEEKNWMXLLOWRJ-IUCAKERBSA-N	-1	0	255.270	0.475	20	30		CCEDRM
CCN1CCN([C@@H](C(=O)[O-])c2ccc(C#N)cc2)CC1=O	ZINC001596431603	984102118	/nfs/dbraw/zinc/10/21/18/984102118.db2.gz	LEUBWAZZTXMDFE-CQSZACIVSA-N	-1	0	287.319	0.848	20	30		CCEDRM
C=CC[C@@H](SC[C@H](NC(C)=O)C(=O)OC)C(=O)[O-]	ZINC001588758931	984108745	/nfs/dbraw/zinc/10/87/45/984108745.db2.gz	MJLHKBVJIDSAHM-DTWKUNHWSA-N	-1	0	275.326	0.427	20	30		CCEDRM
C=CCC1(C(=O)N2CC(O)(C(=O)[O-])C2)CCOCC1	ZINC001588763243	984118837	/nfs/dbraw/zinc/11/88/37/984118837.db2.gz	QTMIVAOQIHZRRK-UHFFFAOYSA-N	-1	0	269.297	0.017	20	30		CCEDRM
C=CCC1(O)CCN(C(=O)Cn2ccc(C(=O)[O-])n2)CC1	ZINC001588769398	984133487	/nfs/dbraw/zinc/13/34/87/984133487.db2.gz	TVSKQFQWELWFAZ-UHFFFAOYSA-N	-1	0	293.323	0.511	20	30		CCEDRM
C=CCCC(=O)NC[C@H]1C[C@H](NC(=O)[C@@H]2C[C@@H]2C(=O)[O-])C1	ZINC001588776866	984154108	/nfs/dbraw/zinc/15/41/08/984154108.db2.gz	LAMAQPYBGKHEIW-KKOKHZNYSA-N	-1	0	294.351	0.684	20	30		CCEDRM
C=CCCCC(=O)N(C)CCNC(=O)[C@H]1C[C@@H]1C(=O)[O-]	ZINC001588781855	984168538	/nfs/dbraw/zinc/16/85/38/984168538.db2.gz	KAFIVSWWGMVZCE-QWRGUYRKSA-N	-1	0	282.340	0.638	20	30		CCEDRM
C=CCCCC(=O)Nc1[nH]nc(OCCO)c1C(=O)[O-]	ZINC001588782250	984171150	/nfs/dbraw/zinc/17/11/50/984171150.db2.gz	ARHXGWHWHWMXRV-UHFFFAOYSA-N	-1	0	283.284	0.774	20	30		CCEDRM
C=CCCC[C@H](NC(=O)[C@H]1CCCS1(=O)=O)C(=O)[O-]	ZINC001588789850	984201784	/nfs/dbraw/zinc/20/17/84/984201784.db2.gz	LFTVZIWVRFSEAZ-VHSXEESVSA-N	-1	0	289.353	0.489	20	30		CCEDRM
C=CCCC[C@@H](NC(=O)C[C@@H]1COC(=O)C1)C(=O)[O-]	ZINC001588789888	984202270	/nfs/dbraw/zinc/20/22/70/984202270.db2.gz	MCHJPRNIHZDQLS-VHSXEESVSA-N	-1	0	269.297	0.865	20	30		CCEDRM
C=CCCCNC(=O)C(=O)N1CC[C@H](C(=O)[O-])[C@@H]1C	ZINC001588801527	984246457	/nfs/dbraw/zinc/24/64/57/984246457.db2.gz	NFCSXFJYUINDSR-UWVGGRQHSA-N	-1	0	268.313	0.390	20	30		CCEDRM
C=CCCCN(C)C(=O)C(=O)N1C[C@H](C)[C@@](C)(C(=O)[O-])C1	ZINC001588802305	984248279	/nfs/dbraw/zinc/24/82/79/984248279.db2.gz	GWMFBOGBJPGLAA-NHYWBVRUSA-N	-1	0	296.367	0.980	20	30		CCEDRM
C=CCCN(C)S(=O)(=O)c1cncc(C(=O)[O-])c1	ZINC001588807193	984258027	/nfs/dbraw/zinc/25/80/27/984258027.db2.gz	BOVHUFWPPBFBBO-UHFFFAOYSA-N	-1	0	270.310	0.976	20	30		CCEDRM
C=CCCO[C@@H](C)C(=O)N[C@@H](CC1OCCO1)C(=O)[O-]	ZINC001588808830	984263447	/nfs/dbraw/zinc/26/34/47/984263447.db2.gz	OAJPTEOFRQSVPA-UWVGGRQHSA-N	-1	0	287.312	0.300	20	30		CCEDRM
C=CCCSCCN1C(=O)N[C@H]([C@@H]2C[C@H]2C(=O)[O-])C1=O	ZINC001588814870	984274194	/nfs/dbraw/zinc/27/41/94/984274194.db2.gz	WFRJJYBFBTXFAN-OPRDCNLKSA-N	-1	0	298.364	0.937	20	30		CCEDRM
C=CCN(CCC#N)[C@H]1CCN(CCC(=O)[O-])C1=O	ZINC001588826714	984305668	/nfs/dbraw/zinc/30/56/68/984305668.db2.gz	SADWQABUUOLIQF-NSHDSACASA-N	-1	0	265.313	0.464	20	30		CCEDRM
C=CCNC(=O)CN(C)Cc1ccc(OCC(=O)[O-])cc1	ZINC001588840090	984351894	/nfs/dbraw/zinc/35/18/94/984351894.db2.gz	ZASVVXYEIPLUOX-UHFFFAOYSA-N	-1	0	292.335	0.884	20	30		CCEDRM
C=CCOCC(=O)N1[C@H]2C[C@H](C(=O)[O-])O[C@H]2CC[C@H]1C	ZINC001588849943	984376787	/nfs/dbraw/zinc/37/67/87/984376787.db2.gz	QAHVGZUSRWUSMK-NOOOWODRSA-N	-1	0	283.324	0.811	20	30		CCEDRM
C=CCO[C@@H]1CCN(C(=O)NCC2(C(=O)[O-])CC2)C1	ZINC001588850052	984378764	/nfs/dbraw/zinc/37/87/64/984378764.db2.gz	VBQDYZXCVYMSOS-SNVBAGLBSA-N	-1	0	268.313	0.838	20	30		CCEDRM
C=CCOC[C@@H](NC(=O)COCc1ccccn1)C(=O)[O-]	ZINC001588854242	984389367	/nfs/dbraw/zinc/38/93/67/984389367.db2.gz	SOXBACZFPVZALT-GFCCVEGCSA-N	-1	0	294.307	0.370	20	30		CCEDRM
C=CCOC[C@H](NC(=O)C1(C(C)C)COC1)C(=O)[O-]	ZINC001588855169	984391529	/nfs/dbraw/zinc/39/15/29/984391529.db2.gz	AMTZDCBKRLEESS-JTQLQIEISA-N	-1	0	271.313	0.431	20	30		CCEDRM
C=CCOC[C@@H](NC(=O)c1ccc(C(=O)OC)[nH]1)C(=O)[O-]	ZINC001588859396	984405403	/nfs/dbraw/zinc/40/54/03/984405403.db2.gz	KFMHNLNAHONTNA-SNVBAGLBSA-N	-1	0	296.279	0.187	20	30		CCEDRM
C=CCOC[C@H](NC(=O)c1cc(F)ccc1N)C(=O)[O-]	ZINC001588859410	984405639	/nfs/dbraw/zinc/40/56/39/984405639.db2.gz	KPSGYHDDWYHBJN-NSHDSACASA-N	-1	0	282.271	0.794	20	30		CCEDRM
C=CCOC[C@@H](NC(=O)c1n[nH]c(C)c1C)C(=O)[O-]	ZINC001588860301	984412242	/nfs/dbraw/zinc/41/22/42/984412242.db2.gz	PQYAZQLEIPMOHD-SECBINFHSA-N	-1	0	267.285	0.412	20	30		CCEDRM
C=CCOC[C@H](NCc1ccoc1C(=O)[O-])C(=O)OC	ZINC001588866168	984422952	/nfs/dbraw/zinc/42/29/52/984422952.db2.gz	IXDOYGDHAARFSL-JTQLQIEISA-N	-1	0	283.280	0.812	20	30		CCEDRM
C=CCOC[C@H](NCc1ccc(C(=O)OC)o1)C(=O)[O-]	ZINC001588866395	984425163	/nfs/dbraw/zinc/42/51/63/984425163.db2.gz	OIASBKHLITZNED-JTQLQIEISA-N	-1	0	283.280	0.812	20	30		CCEDRM
C=CCn1c([C@H](O)CC)nnc1N1CCO[C@@H](C(=O)[O-])C1	ZINC001588896827	984504803	/nfs/dbraw/zinc/50/48/03/984504803.db2.gz	UNKWXFZZHWNWDE-NXEZZACHSA-N	-1	0	296.327	0.197	20	30		CCEDRM
C=CCn1c([C@@H](O)CC)nnc1N1CCO[C@@H](C(=O)[O-])C1	ZINC001588896829	984505083	/nfs/dbraw/zinc/50/50/83/984505083.db2.gz	UNKWXFZZHWNWDE-VHSXEESVSA-N	-1	0	296.327	0.197	20	30		CCEDRM
C=CCn1c([C@H](O)C=C)nnc1N1CC[C@](F)(C(=O)[O-])C1	ZINC001588897421	984510468	/nfs/dbraw/zinc/51/04/68/984510468.db2.gz	ZAXPDZROYJRSNB-NOZJJQNGSA-N	-1	0	296.302	0.687	20	30		CCEDRM
C=CCn1c(=O)[nH]nc1SCCn1cc(C(=O)[O-])nn1	ZINC001588907200	984538641	/nfs/dbraw/zinc/53/86/41/984538641.db2.gz	HKNOIOJJFRBJKY-UHFFFAOYSA-N	-1	0	296.312	0.252	20	30		CCEDRM
C=CCn1cc(C(=O)N[C@H](C(=O)[O-])[C@H](C)CC)nn1	ZINC001588909807	984546109	/nfs/dbraw/zinc/54/61/09/984546109.db2.gz	AXWSWAXPKAZPRB-SCZZXKLOSA-N	-1	0	266.301	0.693	20	30		CCEDRM
C=CCn1cc(C(=O)N[C@@H](C[C@@H]2CCCO2)C(=O)[O-])nn1	ZINC001588910106	984547393	/nfs/dbraw/zinc/54/73/93/984547393.db2.gz	LDZCIMWGGGUCHI-UWVGGRQHSA-N	-1	0	294.311	0.216	20	30		CCEDRM
C=CCn1nnnc1N1C[C@@H]2CCC[C@]2(C(=O)[O-])C1	ZINC001588913079	984554535	/nfs/dbraw/zinc/55/45/35/984554535.db2.gz	WMGDNWPNMADFFO-CABZTGNLSA-N	-1	0	263.301	0.550	20	30		CCEDRM
C=C[C@@H]1OCCC[C@H]1NC(=O)c1cc(C(=O)[O-])on1	ZINC001588917254	984565832	/nfs/dbraw/zinc/56/58/32/984565832.db2.gz	SBXCXRYCDXTKOX-APPZFPTMSA-N	-1	0	266.253	0.836	20	30		CCEDRM
C=C[C@@H]1OCC[C@H]1CNC(=O)Nc1ccn(CC(=O)[O-])n1	ZINC001588917974	984568580	/nfs/dbraw/zinc/56/85/80/984568580.db2.gz	NRFWTPDJMNUIOY-UWVGGRQHSA-N	-1	0	294.311	0.680	20	30		CCEDRM
C=C[C@@H]1OCC[C@H]1NC(=O)N[C@H]1C[C@@H]2C[C@]2(C(=O)[O-])C1	ZINC001588919590	984572761	/nfs/dbraw/zinc/57/27/61/984572761.db2.gz	FEQQRMICYIDCKW-TUYISWAISA-N	-1	0	280.324	0.882	20	30		CCEDRM
C=C[C@H](CO)NC(=O)C1(C(=O)[O-])CC2(CCC2)C1	ZINC001588920124	984575829	/nfs/dbraw/zinc/57/58/29/984575829.db2.gz	TURLMCWYTMVOLB-SECBINFHSA-N	-1	0	253.298	0.685	20	30		CCEDRM
CC#CCCCC(=O)N1C[C@H](O)C[C@@H](C(=O)[O-])C1	ZINC001588925322	984586294	/nfs/dbraw/zinc/58/62/94/984586294.db2.gz	OYYMTHWKSSANGR-GHMZBOCLSA-N	-1	0	253.298	0.474	20	30		CCEDRM
C/C(=C\C(=O)N(CC#N)CCC(=O)[O-])c1cnccn1	ZINC001588933700	984613274	/nfs/dbraw/zinc/61/32/74/984613274.db2.gz	WEJROSHVOLLZNF-CSKARUKUSA-N	-1	0	274.280	0.707	20	30		CCEDRM
CCOC(=O)c1c(C)onc1CN(CC#N)CC(=O)[O-]	ZINC001596696596	984836823	/nfs/dbraw/zinc/83/68/23/984836823.db2.gz	JJHNOUIFZDTLTQ-UHFFFAOYSA-N	-1	0	281.268	0.570	20	30		CCEDRM
CC(=O)CSCC(=O)N(CC#N)CCC(=O)[O-]	ZINC001589040957	985095623	/nfs/dbraw/zinc/09/56/23/985095623.db2.gz	JTVUXSYZSHHDLL-UHFFFAOYSA-N	-1	0	258.299	0.135	20	30		CCEDRM
C[C@H]1CN(C(=O)NCC2(C#N)CCCC2)C[C@@H](C(=O)[O-])O1	ZINC001599920624	985127354	/nfs/dbraw/zinc/12/73/54/985127354.db2.gz	ZOWLFVHXGFFOIA-QWRGUYRKSA-N	-1	0	295.339	0.954	20	30		CCEDRM
CCO[C@@H](C(=O)N(CC#N)CCC(=O)[O-])[C@H]1CCOC1	ZINC001596761352	985152879	/nfs/dbraw/zinc/15/28/79/985152879.db2.gz	RFEQEIWIRZDASB-CMPLNLGQSA-N	-1	0	284.312	0.255	20	30		CCEDRM
CC(=O)Nc1ccc(C(=O)N(CC#N)CC(=O)[O-])nc1	ZINC001589185017	985569462	/nfs/dbraw/zinc/56/94/62/985569462.db2.gz	YTHGZZVUSJSMHY-UHFFFAOYSA-N	-1	0	276.252	0.090	20	30		CCEDRM
Cc1c(C(=O)N2CC[C@H]2C(=O)[O-])cnn1CCC#N	ZINC001599977400	986112825	/nfs/dbraw/zinc/11/28/25/986112825.db2.gz	KJHGEXIGBBTTGR-JTQLQIEISA-N	-1	0	262.269	0.404	20	30		CCEDRM
Cc1c(C(=O)[O-])cc(C=NNCC(C)(C)CO)n1C	ZINC001599984605	986212882	/nfs/dbraw/zinc/21/28/82/986212882.db2.gz	SRRBMZGMZNDRDS-UHFFFAOYSA-N	-1	0	267.329	0.974	20	30		CCEDRM
C[C@@H](C(=O)N(CC#N)CCC(=O)[O-])n1cccn1	ZINC001589341954	986259527	/nfs/dbraw/zinc/25/95/27/986259527.db2.gz	RMELSWBMKNVJJV-VIFPVBQESA-N	-1	0	250.258	0.271	20	30		CCEDRM
C[C@H](C(=O)N1CCC(C(=O)[O-])CC1)N1CC[C@@](C)(C#N)C1	ZINC001589349060	986298759	/nfs/dbraw/zinc/29/87/59/986298759.db2.gz	DRHADBUQYMUQKA-ABAIWWIYSA-N	-1	0	293.367	0.934	20	30		CCEDRM
C[C@H](C(=O)N[C@@H](CC(C)(C)C)C(=O)[O-])n1cnc(C#N)n1	ZINC001589384812	986471351	/nfs/dbraw/zinc/47/13/51/986471351.db2.gz	ALSWDDUXBMPQPJ-BDAKNGLRSA-N	-1	0	293.327	0.716	20	30		CCEDRM
C[C@H](C(=O)NCC(=O)[O-])N1CCC[C@@](C)(C#N)C1	ZINC001589397624	986540019	/nfs/dbraw/zinc/54/00/19/986540019.db2.gz	TXZXUOVUWAVZHR-SKDRFNHKSA-N	-1	0	253.302	0.201	20	30		CCEDRM
CC[C@@H](C#N)C(=O)N1CCC2(CC(C(=O)[O-])=NO2)CC1	ZINC001594722641	987215178	/nfs/dbraw/zinc/21/51/78/987215178.db2.gz	RUEJTCNYMSPBNL-VIFPVBQESA-N	-1	0	279.296	0.758	20	30		CCEDRM
CC(C)(C#N)CN1C(=O)[C@H]2CC[C@H](C(=O)[O-])CN2C1=O	ZINC001589554616	987302351	/nfs/dbraw/zinc/30/23/51/987302351.db2.gz	GQNCELOMKOWRQL-DTWKUNHWSA-N	-1	0	279.296	0.664	20	30		CCEDRM
CC(C)(C#N)CS(=O)(=O)N1C[C@@H](F)C[C@H]1C(=O)[O-]	ZINC001589559097	987313051	/nfs/dbraw/zinc/31/30/51/987313051.db2.gz	YYSRQCRBXHQXBM-YUMQZZPRSA-N	-1	0	278.305	0.363	20	30		CCEDRM
CC(C)(C(=O)[O-])C(=O)COC(=O)c1cccc(C#N)n1	ZINC001589585891	987381260	/nfs/dbraw/zinc/38/12/60/987381260.db2.gz	TWRGLTZNTWYGSI-UHFFFAOYSA-N	-1	0	276.248	0.790	20	30		CCEDRM
CC(C)(C(=O)[O-])n1cc(NC(=O)NCCC#N)cn1	ZINC001589666190	987649959	/nfs/dbraw/zinc/64/99/59/987649959.db2.gz	PMHAREBMGZSJTO-UHFFFAOYSA-N	-1	0	265.273	0.738	20	30		CCEDRM
CC(C)(C)C#CC(=O)N1CCC(O)(C(=O)[O-])CC1	ZINC001589681804	987714811	/nfs/dbraw/zinc/71/48/11/987714811.db2.gz	GFPLIAQZNTXJBZ-UHFFFAOYSA-N	-1	0	253.298	0.474	20	30		CCEDRM
CCc1cc(C(=O)N(CC#N)CCC(=O)[O-])n(C)n1	ZINC001597427131	987755037	/nfs/dbraw/zinc/75/50/37/987755037.db2.gz	RFPOWRFIULSXAC-UHFFFAOYSA-N	-1	0	264.285	0.423	20	30		CCEDRM
C[C@@H](O)[C@H](NC(=O)C(F)(F)c1ccccc1C#N)C(=O)[O-]	ZINC001599843499	988891373	/nfs/dbraw/zinc/89/13/73/988891373.db2.gz	HXMCJWTVNCRLHF-XCBNKYQSSA-N	-1	0	298.245	0.600	20	30		CCEDRM
C[C@@H](O)[C@H](NC(=O)c1csc(C#N)c1)C(=O)[O-]	ZINC001599846135	988935085	/nfs/dbraw/zinc/93/50/85/988935085.db2.gz	SWJALUWGLROBCN-XRGYYRRGSA-N	-1	0	254.267	0.184	20	30		CCEDRM
CCn1ncc(CN=Nc2ccc(C(=O)[O-])cn2)n1	ZINC001597957357	989970689	/nfs/dbraw/zinc/97/06/89/989970689.db2.gz	SEBHZHIZJQOXOO-UHFFFAOYSA-N	-1	0	260.257	0.837	20	30		CCEDRM
CN(C(=O)CNc1ccc(C#N)cn1)C(C)(C)C(=O)[O-]	ZINC001598028154	990238551	/nfs/dbraw/zinc/23/85/51/990238551.db2.gz	BMKVJJOPNXIDIH-UHFFFAOYSA-N	-1	0	276.296	0.687	20	30		CCEDRM
CN(C(=O)[C@H]1CC[C@@H](C(=O)[O-])O1)[C@H]1CCC[C@@H]1C#N	ZINC001598072019	990367723	/nfs/dbraw/zinc/36/77/23/990367723.db2.gz	FAVYEEUNKJOFOL-YTWAJWBKSA-N	-1	0	266.297	0.769	20	30		CCEDRM
CN(C)c1cc(C#N)cc(C(=O)N2CC(C(=O)[O-])C2)c1	ZINC001598288520	991195980	/nfs/dbraw/zinc/19/59/80/991195980.db2.gz	WFHHVRJWUKNGKK-UHFFFAOYSA-N	-1	0	273.292	0.781	20	30		CCEDRM
CN([C@H](C(=O)[O-])c1ccc(C#N)cc1)C1CS(=O)(=O)C1	ZINC001598375686	991561034	/nfs/dbraw/zinc/56/10/34/991561034.db2.gz	CORWPQCFAJVAKT-LBPRGKRZSA-N	-1	0	294.332	0.413	20	30		CCEDRM
CC(C)C[C@@H](NC(=O)CN([C@H](C)C#N)C1CC1)C(=O)[O-]	ZINC001591162904	991928025	/nfs/dbraw/zinc/92/80/25/991928025.db2.gz	ZCQCYWOMIUZTHD-ZYHUDNBSSA-N	-1	0	281.356	0.978	20	30		CCEDRM
CN(CCC#N)[C@@H]1CCCN(CCC(=O)[O-])C1=O	ZINC001598468587	991989300	/nfs/dbraw/zinc/98/93/00/991989300.db2.gz	HWKMYAUTZXOBDE-SNVBAGLBSA-N	-1	0	253.302	0.298	20	30		CCEDRM
CC(C)C[C@@H](OC(=O)[C@@H](C)n1cnc(C#N)n1)C(=O)[O-]	ZINC001591188358	991994625	/nfs/dbraw/zinc/99/46/25/991994625.db2.gz	SKYNRSFJKQOMTD-RKDXNWHRSA-N	-1	0	280.284	0.753	20	30		CCEDRM
CN(CCNC(=O)C#CC1CC1)c1ccnc(C(=O)[O-])n1	ZINC001598488421	992245215	/nfs/dbraw/zinc/24/52/15/992245215.db2.gz	BBJIHNTYEBKSRX-UHFFFAOYSA-N	-1	0	288.307	0.141	20	30		CCEDRM
CN(CCNC(=O)[C@H]1C[C@H]1C(=O)[O-])c1ccc(C#N)cn1	ZINC001598489976	992273020	/nfs/dbraw/zinc/27/30/20/992273020.db2.gz	CODRTWSKRKJWDL-WDEREUQCSA-N	-1	0	288.307	0.226	20	30		CCEDRM
CN(CCNC(=O)[C@@H]1C[C@@H]1C(=O)[O-])c1ccc(C#N)cn1	ZINC001598489972	992273416	/nfs/dbraw/zinc/27/34/16/992273416.db2.gz	CODRTWSKRKJWDL-MNOVXSKESA-N	-1	0	288.307	0.226	20	30		CCEDRM
CN(CCc1cccc(C#N)c1)Cn1cnc(C(=O)[O-])n1	ZINC001598500096	992423548	/nfs/dbraw/zinc/42/35/48/992423548.db2.gz	DWHMCKYULDSQGT-UHFFFAOYSA-N	-1	0	285.307	0.980	20	30		CCEDRM
CN(Cc1ccccc1)C(=O)CN(CC#N)CCC(=O)[O-]	ZINC001598527463	992737772	/nfs/dbraw/zinc/73/77/72/992737772.db2.gz	KEKUYCWKKVZPEV-UHFFFAOYSA-N	-1	0	289.335	0.945	20	30		CCEDRM
CC(C)NC(=O)CCNc1ccc(C(=O)[O-])nc1C#N	ZINC001591641104	992956652	/nfs/dbraw/zinc/95/66/52/992956652.db2.gz	JCBHUBUJDKEBMP-UHFFFAOYSA-N	-1	0	276.296	0.978	20	30		CCEDRM
CN1C[C@H](C(=O)[O-])N(Cc2cccc(C#N)c2)CC1=O	ZINC001598562826	993106829	/nfs/dbraw/zinc/10/68/29/993106829.db2.gz	FJYPTIYCIOXDNU-GFCCVEGCSA-N	-1	0	273.292	0.285	20	30		CCEDRM
CN1CC[C@H](CNc2ccc(C(=O)[O-])nc2C#N)CC1=O	ZINC001598584312	993360195	/nfs/dbraw/zinc/36/01/95/993360195.db2.gz	XIJPLLDYDXPYLB-VIFPVBQESA-N	-1	0	288.307	0.932	20	30		CCEDRM
C[C@@H](NC(=O)OC(C)(C)C)C(=O)N(CC#N)CCC(=O)[O-]	ZINC001593126179	993868600	/nfs/dbraw/zinc/86/86/00/993868600.db2.gz	YIBZDVPFBMXINO-SECBINFHSA-N	-1	0	299.327	0.726	20	30		CCEDRM
CNC(=O)[C@H](C#N)C(=O)Cc1ccc(C(=O)[O-])cc1	ZINC001598631158	994176055	/nfs/dbraw/zinc/17/60/55/994176055.db2.gz	ZTQQHGNETBJLSF-SNVBAGLBSA-N	-1	0	260.249	0.382	20	30		CCEDRM
C[C@@](O)(CNC(=O)c1c(F)cc(C#N)cc1F)C(=O)[O-]	ZINC001593408112	995178182	/nfs/dbraw/zinc/17/81/82/995178182.db2.gz	WKOQTADOVBEJLX-GFCCVEGCSA-N	-1	0	284.218	0.402	20	30		CCEDRM
COC(=O)C1CCC(NC(=O)[C@H](C)CC#N)(C(=O)[O-])CC1	ZINC001598784162	996014240	/nfs/dbraw/zinc/01/42/40/996014240.db2.gz	ITVNSQWLXJSWBI-NAUIOFCNSA-N	-1	0	296.323	0.839	20	30		CCEDRM
CC1(C#N)CN(C(=O)[C@H]2CC[C@@H](CCC(=O)[O-])O2)C1	ZINC001593743669	996370203	/nfs/dbraw/zinc/37/02/03/996370203.db2.gz	YEJSVWGKXZNFOD-VHSXEESVSA-N	-1	0	266.297	0.771	20	30		CCEDRM
COC(=O)[C@@H]1CN(c2cccnc2C#N)C[C@@H]1C(=O)[O-]	ZINC001598826546	996388584	/nfs/dbraw/zinc/38/85/84/996388584.db2.gz	IZMNTEZEPQDJNR-DTWKUNHWSA-N	-1	0	275.264	0.263	20	30		CCEDRM
COC(=O)CCCCC(=O)N(CC#N)CC(=O)[O-]	ZINC001598851382	996606620	/nfs/dbraw/zinc/60/66/20/996606620.db2.gz	NYELABVIBVAFLE-UHFFFAOYSA-N	-1	0	256.258	0.157	20	30		CCEDRM
COC(=O)CN(CC(=O)[O-])Cc1ccc(C#N)cn1	ZINC001598861926	996681975	/nfs/dbraw/zinc/68/19/75/996681975.db2.gz	VEVGMSQJTBBCOL-UHFFFAOYSA-N	-1	0	263.253	0.013	20	30		CCEDRM
COC[C@]1(C(=O)[O-])CCCN1C(=O)c1ccc(C#N)nc1	ZINC001599192183	997142207	/nfs/dbraw/zinc/14/22/07/997142207.db2.gz	JCOXRWJZLDXZDU-AWEZNQCLSA-N	-1	0	289.291	0.659	20	30		CCEDRM
CON=CC(=O)NC[C@@H](C(=O)[O-])c1ccccc1	ZINC001599320925	997579556	/nfs/dbraw/zinc/57/95/56/997579556.db2.gz	WVNNCLNPBFJOMK-SNVBAGLBSA-N	-1	0	250.254	0.603	20	30		CCEDRM
CON=Cc1ccc(C(=O)N[C@H](C(=O)[O-])[C@@H](C)O)cc1	ZINC001599320995	997580820	/nfs/dbraw/zinc/58/08/20/997580820.db2.gz	RTTWQHKUKOTUEU-KCJUWKMLSA-N	-1	0	280.280	0.231	20	30		CCEDRM
COCC[C@@H](NC(=O)c1ccc(C#N)s1)C(=O)[O-]	ZINC001599216110	997584771	/nfs/dbraw/zinc/58/47/71/997584771.db2.gz	JPGWVJWMDOHHSP-MRVPVSSYSA-N	-1	0	268.294	0.839	20	30		CCEDRM
COCC#CC(=O)N[C@@H](CC(=O)[O-])c1ccc(OC)cc1	ZINC001599138074	998078852	/nfs/dbraw/zinc/07/88/52/998078852.db2.gz	HFJNMLYXTAWMOK-ZDUSSCGKSA-N	-1	0	291.303	0.977	20	30		CCEDRM
COCC#CC(=O)N[C@@]1(C)CCCC[C@H]1C(=O)[O-]	ZINC001599138210	998079870	/nfs/dbraw/zinc/07/98/70/998079870.db2.gz	KRWNXBPAPCCJPU-GWCFXTLKSA-N	-1	0	253.298	0.786	20	30		CCEDRM
COCC#CC(=O)N(CCc1ccccc1)CC(=O)[O-]	ZINC001599138437	998085291	/nfs/dbraw/zinc/08/52/91/998085291.db2.gz	LPGQBWFTSKNYNI-UHFFFAOYSA-N	-1	0	275.304	0.792	20	30		CCEDRM
COc1cc(C(=O)N(CC#N)CCC(=O)[O-])ccc1O	ZINC001599350708	998088610	/nfs/dbraw/zinc/08/86/10/998088610.db2.gz	OZYSBOQHKCZWDV-UHFFFAOYSA-N	-1	0	278.264	0.841	20	30		CCEDRM
COCC#CC(=O)N[C@@H](C)c1ccc(OCC(=O)[O-])cc1	ZINC001599139120	998095914	/nfs/dbraw/zinc/09/59/14/998095914.db2.gz	TXHSRHPMAUYQLU-NSHDSACASA-N	-1	0	291.303	0.977	20	30		CCEDRM
C[C@@H]1[C@@H](C(=O)[O-])CCN1C(=O)c1cccc(C#CCO)c1	ZINC001594159733	998594060	/nfs/dbraw/zinc/59/40/60/998594060.db2.gz	UXJYCTVNGWOCRT-RISCZKNCSA-N	-1	0	287.315	0.966	20	30		CCEDRM
C[C@@H]1C[C@@H](C)[C@@H](C(=O)N(CC#N)CCC(=O)[O-])O1	ZINC001594217747	998839689	/nfs/dbraw/zinc/83/96/89/998839689.db2.gz	YDGRYYVRAPBONZ-KKZNHRDASA-N	-1	0	254.286	0.627	20	30		CCEDRM
CO[C@H](CN(CC#N)CCC(=O)[O-])[C@H]1CCOC1	ZINC001599046265	999153145	/nfs/dbraw/zinc/15/31/45/999153145.db2.gz	CXSRPRLXOQJTMA-WDEREUQCSA-N	-1	0	256.302	0.338	20	30		CCEDRM
COC(CN(CCC(=O)[O-])C(=O)C#CC(C)(C)C)OC	ZINC001599046311	999153148	/nfs/dbraw/zinc/15/31/48/999153148.db2.gz	DVEVIFOZAHWGDM-UHFFFAOYSA-N	-1	0	285.340	0.958	20	30		CCEDRM
CO[C@]1(C(=O)[O-])CCN(C(=O)Cc2ccc(C#N)cc2)C1	ZINC001599071456	999336102	/nfs/dbraw/zinc/33/61/02/999336102.db2.gz	TZIRIODNSCANAS-OAHLLOKOSA-N	-1	0	288.303	0.803	20	30		CCEDRM
N#Cc1ccccc1S(=O)(=O)N[C@H]1C=C[C@@H](C(=O)[O-])C1	ZINC000092181992	349484565	/nfs/dbraw/zinc/48/45/65/349484565.db2.gz	XPIVUIZNRIHEGS-KOLCDFICSA-N	-1	0	292.316	0.866	20	30		CCEDRM
Cn1ncc(C#N)c1[N-]S(=O)(=O)c1cccnc1	ZINC000093342370	349539001	/nfs/dbraw/zinc/53/90/01/349539001.db2.gz	ZZICJEMZUOSBGZ-UHFFFAOYSA-N	-1	0	263.282	0.488	20	30		CCEDRM
Cc1ccc(S(=O)(=O)[N-]c2c(C#N)cnn2C)cn1	ZINC000337777800	214258044	/nfs/dbraw/zinc/25/80/44/214258044.db2.gz	QZQABTMSTVGVRM-UHFFFAOYSA-N	-1	0	277.309	0.796	20	30		CCEDRM
N#Cc1ccccc1S(=O)(=O)N[C@@H]1C=C[C@@H](C(=O)[O-])C1	ZINC000092181993	290647577	/nfs/dbraw/zinc/64/75/77/290647577.db2.gz	XPIVUIZNRIHEGS-MWLCHTKSSA-N	-1	0	292.316	0.866	20	30		CCEDRM
C=CCSCCNC(=O)Cn1cc(C(=O)[O-])cn1	ZINC000600870055	362083355	/nfs/dbraw/zinc/08/33/55/362083355.db2.gz	QQCASQNMJVJHAE-UHFFFAOYSA-N	-1	0	269.326	0.617	20	30		CCEDRM
Cc1cc(F)cc(C#N)c1S(=O)(=O)N1CC[C@@H]1C(=O)[O-]	ZINC000600891558	362089799	/nfs/dbraw/zinc/08/97/99/362089799.db2.gz	TYFIZLIIGZRTIV-SNVBAGLBSA-N	-1	0	298.295	0.853	20	30		CCEDRM
C[C@H](C(=O)[O-])N(C)S(=O)(=O)c1ccc(C#N)nc1	ZINC000127112862	187283549	/nfs/dbraw/zinc/28/35/49/187283549.db2.gz	WERIZWSRJDSUMX-SSDOTTSWSA-N	-1	0	269.282	0.047	20	30		CCEDRM
C[C@@H]1CCn2ncc(C(=O)N=c3[nH][n-]cc3C#N)c2C1	ZINC000601635805	362334033	/nfs/dbraw/zinc/33/40/33/362334033.db2.gz	CDRKSIFGDVFCRT-MRVPVSSYSA-N	-1	0	270.296	0.734	20	30		CCEDRM
COC1(CS(=O)(=O)[N-]c2nn(C)cc2C#N)CCC1	ZINC000601976052	362447634	/nfs/dbraw/zinc/44/76/34/362447634.db2.gz	CKNDOVHMPWKDLQ-UHFFFAOYSA-N	-1	0	284.341	0.603	20	30		CCEDRM
CCC[C@H](C)N(C)C(=O)Cn1cc(C#N)c(=O)[n-]c1=O	ZINC000602061116	362469634	/nfs/dbraw/zinc/46/96/34/362469634.db2.gz	VMEMRPIWVBFIFD-VIFPVBQESA-N	-1	0	278.312	0.468	20	30		CCEDRM
CC[C@H]1CCN(C(=O)Cn2cc(C#N)c(=O)[n-]c2=O)C1	ZINC000602111591	362494787	/nfs/dbraw/zinc/49/47/87/362494787.db2.gz	ACMCROQKMZCFNI-VIFPVBQESA-N	-1	0	276.296	0.079	20	30		CCEDRM
CCCC[C@H](C)N(C)C(=O)Cn1cc(C#N)c(=O)[n-]c1=O	ZINC000602153887	362530373	/nfs/dbraw/zinc/53/03/73/362530373.db2.gz	POBHATKXVCCKKS-JTQLQIEISA-N	-1	0	292.339	0.858	20	30		CCEDRM
Cc1ncc(S(=O)(=O)NCCCC(=O)[O-])cc1C#N	ZINC000261579823	137010253	/nfs/dbraw/zinc/01/02/53/137010253.db2.gz	FBHZWRSXCSBVND-UHFFFAOYSA-N	-1	0	283.309	0.405	20	30		CCEDRM
Cc1c(S(=O)(=O)[N-]c2n[nH]cc2C#N)cnn1C	ZINC000310805603	137072455	/nfs/dbraw/zinc/07/24/55/137072455.db2.gz	YICSIRMIDWUWGP-UHFFFAOYSA-N	-1	0	266.286	0.124	20	30		CCEDRM
N#Cc1ccc(S(=O)(=O)[N-]c2nnc3ccccn32)o1	ZINC000342475034	137096553	/nfs/dbraw/zinc/09/65/53/137096553.db2.gz	GLXKWAYQQJEJJC-UHFFFAOYSA-N	-1	0	289.276	0.995	20	30		CCEDRM
CCC(F)(F)CNC(=O)N=c1[n-]n(C)cc1C#N	ZINC000602882618	362861426	/nfs/dbraw/zinc/86/14/26/362861426.db2.gz	ODPWGOZRWJFYMP-UHFFFAOYSA-N	-1	0	257.244	0.880	20	30		CCEDRM
Cn1cc(C#N)c(=NC(=O)N2C[C@@H]3CCC[C@]3(CO)C2)[n-]1	ZINC000602884996	362863155	/nfs/dbraw/zinc/86/31/55/362863155.db2.gz	XXVNGUYUSYVISF-SMDDNHRTSA-N	-1	0	289.339	0.340	20	30		CCEDRM
C[C@@H]1CCC[C@@H](CNC(=O)N=c2[n-]n(C)cc2C#N)O1	ZINC000602885943	362864357	/nfs/dbraw/zinc/86/43/57/362864357.db2.gz	GSFWEVMOONVJRG-KOLCDFICSA-N	-1	0	277.328	0.793	20	30		CCEDRM
Cn1cc(C#N)c(=NC(=O)N[C@H]2CO[C@H](C3CC3)C2)[n-]1	ZINC000602881148	362860417	/nfs/dbraw/zinc/86/04/17/362860417.db2.gz	IUZZEIQPKIEXKH-MNOVXSKESA-N	-1	0	275.312	0.403	20	30		CCEDRM
N#Cc1cc([N+](=O)[O-])ccc1NCc1n[n-]c(=N)o1	ZINC000346123946	137268507	/nfs/dbraw/zinc/26/85/07/137268507.db2.gz	VQCIVSWWZBDDBB-UHFFFAOYSA-N	-1	0	260.213	0.874	20	30		CCEDRM
N#Cc1cnccc1/C=C/c1cn(CC(=O)[O-])nn1	ZINC000347441737	137336759	/nfs/dbraw/zinc/33/67/59/137336759.db2.gz	LNDARATVZCZLEX-OWOJBTEDSA-N	-1	0	255.237	0.800	20	30		CCEDRM
CCOCCO[C@@H](C)C(=O)Nc1nc(C#N)c(C#N)[n-]1	ZINC000057307935	348607159	/nfs/dbraw/zinc/60/71/59/348607159.db2.gz	XAWGGNKBSNKHJM-QMMMGPOBSA-N	-1	0	277.284	0.533	20	30		CCEDRM
CN(C)c1n[nH]c([N-]S(=O)(=O)c2cccc(C#N)c2)n1	ZINC000351217097	137424719	/nfs/dbraw/zinc/42/47/19/137424719.db2.gz	CBQARASZATWRFZ-UHFFFAOYSA-N	-1	0	292.324	0.543	20	30		CCEDRM
Cn1ncnc1[N-]S(=O)(=O)c1cccc(C#N)c1	ZINC000126978982	350158581	/nfs/dbraw/zinc/15/85/81/350158581.db2.gz	HMKMURGGKONDAL-UHFFFAOYSA-N	-1	0	263.282	0.488	20	30		CCEDRM
C[C@H](C(=O)N=c1ccc(C2CC2)n[n-]1)n1cnc(C#N)n1	ZINC000542138789	290946383	/nfs/dbraw/zinc/94/63/83/290946383.db2.gz	MAJAWMQIQPREGT-MRVPVSSYSA-N	-1	0	283.295	0.439	20	30		CCEDRM
CC[C@H](NS(=O)(=O)c1cccnc1C#N)C(=O)[O-]	ZINC000234035135	352154663	/nfs/dbraw/zinc/15/46/63/352154663.db2.gz	UQPOKIGMEUQSRI-ZETCQYMHSA-N	-1	0	269.282	0.095	20	30		CCEDRM
CC(C)[C@@H](NS(=O)(=O)c1cccnc1C#N)C(=O)[O-]	ZINC000232716978	352146979	/nfs/dbraw/zinc/14/69/79/352146979.db2.gz	XOLGCTQBZYSVFX-SNVBAGLBSA-N	-1	0	283.309	0.341	20	30		CCEDRM
Cc1cccc(S(=O)(=O)NC[C@@H](C)C(=O)[O-])c1C#N	ZINC000274894160	353170960	/nfs/dbraw/zinc/17/09/60/353170960.db2.gz	GMVKFALUGWYLLT-SECBINFHSA-N	-1	0	282.321	0.866	20	30		CCEDRM
N#Cc1ccc(S(=O)(=O)N2CCC[C@H](C(=O)[O-])C2)cn1	ZINC000158767539	188392862	/nfs/dbraw/zinc/39/28/62/188392862.db2.gz	BOAOIVKQDSSDEO-VIFPVBQESA-N	-1	0	295.320	0.439	20	30		CCEDRM
N#Cc1nccnc1N1CCC[C@@H](c2nc(=O)[n-][nH]2)C1	ZINC000284541734	353555462	/nfs/dbraw/zinc/55/54/62/353555462.db2.gz	BCVOWRJWTTWQFX-MRVPVSSYSA-N	-1	0	271.284	0.144	20	30		CCEDRM
CC(C)(C)[C@H](NS(=O)(=O)c1ccc(C#N)o1)C(=O)[O-]	ZINC000287326753	353639451	/nfs/dbraw/zinc/63/94/51/353639451.db2.gz	VOCCLEKURDWUHG-SECBINFHSA-N	-1	0	286.309	0.929	20	30		CCEDRM
CCN(C[C@@H](C)C(=O)[O-])S(=O)(=O)c1ccc(C#N)o1	ZINC000287634369	353658541	/nfs/dbraw/zinc/65/85/41/353658541.db2.gz	UBVUDMZSFZUOHJ-MRVPVSSYSA-N	-1	0	286.309	0.883	20	30		CCEDRM
N#Cc1ccc(C(=O)N=c2[n-]ncn2C2CC2)nc1	ZINC000557110077	291022592	/nfs/dbraw/zinc/02/25/92/291022592.db2.gz	RTVWSRKZIBDYAW-UHFFFAOYSA-N	-1	0	254.253	0.554	20	30		CCEDRM
N#Cc1ccc(OCC(=O)NCCc2n[n-]c(=N)o2)cc1	ZINC000348271537	355900416	/nfs/dbraw/zinc/90/04/16/355900416.db2.gz	GEQSWZKRPRHJEB-UHFFFAOYSA-N	-1	0	287.279	0.092	20	30		CCEDRM
COc1cncc(C(=O)N=c2[n-]n(C(C)C)cc2C#N)n1	ZINC000362546558	138063183	/nfs/dbraw/zinc/06/31/83/138063183.db2.gz	ZTMWJYBDURPVQO-UHFFFAOYSA-N	-1	0	286.295	0.808	20	30		CCEDRM
Cc1nc(C(=O)NCCc2n[n-]c(=N)o2)ccc1C#N	ZINC000355030287	356553798	/nfs/dbraw/zinc/55/37/98/356553798.db2.gz	LAOFCWSTNABUNZ-UHFFFAOYSA-N	-1	0	272.268	0.030	20	30		CCEDRM
N#Cc1ccc(C(=O)NCCc2nc(=N)[n-]o2)cc1	ZINC000359761443	356886376	/nfs/dbraw/zinc/88/63/76/356886376.db2.gz	KEFPHQYFLRMCOK-UHFFFAOYSA-N	-1	0	257.253	0.326	20	30		CCEDRM
CN(C[C@H]1CCCO1)C(=O)N=c1[n-]n(C)cc1C#N	ZINC000610561117	363576239	/nfs/dbraw/zinc/57/62/39/363576239.db2.gz	FQWWOMRWDUMTSQ-SNVBAGLBSA-N	-1	0	263.301	0.356	20	30		CCEDRM
CC[C@H]1CN(C(=O)N=c2[n-]n(C)cc2C#N)C[C@@H](C)O1	ZINC000610562703	363577914	/nfs/dbraw/zinc/57/79/14/363577914.db2.gz	CPEGYVTZLNBKDQ-KOLCDFICSA-N	-1	0	277.328	0.745	20	30		CCEDRM
COCCN(CC(C)C)C(=O)N=c1[n-]n(C)cc1C#N	ZINC000610562157	363577026	/nfs/dbraw/zinc/57/70/26/363577026.db2.gz	YOUPSEMUYAQGBB-UHFFFAOYSA-N	-1	0	279.344	0.850	20	30		CCEDRM
COC[C@H]1CCN(C(=O)N=c2[n-]n(C)cc2C#N)C1	ZINC000610565565	363580611	/nfs/dbraw/zinc/58/06/11/363580611.db2.gz	YYVZCWNJYFGTKC-VIFPVBQESA-N	-1	0	263.301	0.214	20	30		CCEDRM
Cc1[n-][nH]c(=NC(=O)[C@H]2CCc3nccn3C2)c1C#N	ZINC000377253006	357557972	/nfs/dbraw/zinc/55/79/72/357557972.db2.gz	XOFMAZWJCLIDIL-VIFPVBQESA-N	-1	0	270.296	0.409	20	30		CCEDRM
C[C@H](CO[C@H]1CCOC1)NC(=O)N=c1[n-]n(C)cc1C#N	ZINC000610655674	363591211	/nfs/dbraw/zinc/59/12/11/363591211.db2.gz	GSDFSGOPRIGHMP-KOLCDFICSA-N	-1	0	293.327	0.029	20	30		CCEDRM
C[C@H]1C[C@H](C(=O)N=c2[nH][n-]c(C3CC3)c2C#N)CO1	ZINC000408174573	357953832	/nfs/dbraw/zinc/95/38/32/357953832.db2.gz	SDDUXYJLCGIVCZ-CBAPKCEASA-N	-1	0	260.297	0.944	20	30		CCEDRM
Cn1cc(C#N)c(=NC(=O)N(CCCCO)C2CC2)[n-]1	ZINC000610674812	363597155	/nfs/dbraw/zinc/59/71/55/363597155.db2.gz	WXQZQPMKASARTI-UHFFFAOYSA-N	-1	0	277.328	0.482	20	30		CCEDRM
Cn1cc(C#N)c(=NC(=O)N[C@@H]2CCC[C@H]3OCC[C@@H]32)[n-]1	ZINC000610767521	363611141	/nfs/dbraw/zinc/61/11/41/363611141.db2.gz	XWLJYIKZFCDADO-IJLUTSLNSA-N	-1	0	289.339	0.793	20	30		CCEDRM
CC[C@](C)(CCO)NC(=O)N=c1[n-]n(C)cc1C#N	ZINC000610773215	363613070	/nfs/dbraw/zinc/61/30/70/363613070.db2.gz	NIQFWJSKHTYHDC-GFCCVEGCSA-N	-1	0	265.317	0.386	20	30		CCEDRM
CC(C)(Oc1ccc(C#N)cc1)C(=O)NCc1nnn[n-]1	ZINC000610807854	363616688	/nfs/dbraw/zinc/61/66/88/363616688.db2.gz	JOFJWVXOHWGDDR-UHFFFAOYSA-N	-1	0	286.295	0.545	20	30		CCEDRM
N#Cc1ccc(CS(=O)(=O)N[C@H]2C[C@H](C(=O)[O-])C2)cc1	ZINC000569853622	358800664	/nfs/dbraw/zinc/80/06/64/358800664.db2.gz	VPSXBKDTGITJNV-HAQNSBGRSA-N	-1	0	294.332	0.841	20	30		CCEDRM
C[C@@H]1CCN(S(=O)(=O)c2ccc(C#N)o2)C[C@@H]1C(=O)[O-]	ZINC000573120256	358940840	/nfs/dbraw/zinc/94/08/40/358940840.db2.gz	JYGRYGHXGDJJMG-SCZZXKLOSA-N	-1	0	298.320	0.883	20	30		CCEDRM
C[C@H](CC#N)N(C)S(=O)(=O)NCC[C@H](C)CC(=O)[O-]	ZINC000574457405	359039537	/nfs/dbraw/zinc/03/95/37/359039537.db2.gz	OIHYUJJGXPKYQF-VHSXEESVSA-N	-1	0	291.373	0.556	20	30		CCEDRM
C[C@@H]1CCN(S(=O)(=O)CCCC#N)C[C@H]1C(=O)[O-]	ZINC000579952852	359066947	/nfs/dbraw/zinc/06/69/47/359066947.db2.gz	RXMKMPYJQZAVFN-NXEZZACHSA-N	-1	0	274.342	0.663	20	30		CCEDRM
C=CCOC[C@H](NC(=O)NCc1ncc(C)s1)C(=O)[O-]	ZINC000580029522	359077806	/nfs/dbraw/zinc/07/78/06/359077806.db2.gz	KTXLGNOMASEHBD-VIFPVBQESA-N	-1	0	299.352	0.907	20	30		CCEDRM
Cc1n[nH]c(C(=O)NCC2CCN(CC#N)CC2)c1[O-]	ZINC000610987099	363641056	/nfs/dbraw/zinc/64/10/56/363641056.db2.gz	GNWOUXGAOSSCPU-UHFFFAOYSA-N	-1	0	277.328	0.389	20	30		CCEDRM
Cc1cnn(C)c1S(=O)(=O)[N-]c1ncc(C#N)s1	ZINC000586753018	359284023	/nfs/dbraw/zinc/28/40/23/359284023.db2.gz	FEJKOWBMMZGBKG-UHFFFAOYSA-N	-1	0	283.338	0.279	20	30		CCEDRM
N#CCCn1ccc(=NC(=O)c2ccc3oc(=O)nc-3[n-]2)[nH]1	ZINC000590437888	359463377	/nfs/dbraw/zinc/46/33/77/359463377.db2.gz	IVEUNFBYSBROOD-UHFFFAOYSA-N	-1	0	298.262	0.713	20	30		CCEDRM
Cc1cc(CNC(=O)N=c2[n-]n(C)cc2C#N)ncn1	ZINC000611140940	363664392	/nfs/dbraw/zinc/66/43/92/363664392.db2.gz	BIPMLYSKTAJYOQ-UHFFFAOYSA-N	-1	0	271.284	0.134	20	30		CCEDRM
N#Cc1ccc(/C=C/C(=O)NCc2n[n-]c(=N)o2)cc1	ZINC000493168126	237415594	/nfs/dbraw/zinc/41/55/94/237415594.db2.gz	RIKJOHDTMRQJSJ-AATRIKPKSA-N	-1	0	269.264	0.683	20	30		CCEDRM
CC[C@@H]1CC[C@@H](C(=O)[O-])N1S(=O)(=O)CCCC#N	ZINC000592447470	359843197	/nfs/dbraw/zinc/84/31/97/359843197.db2.gz	HRHWWVDEPVAAOS-ZJUUUORDSA-N	-1	0	274.342	0.948	20	30		CCEDRM
CCn1ccc(C(=O)N=c2[n-]n(C)c(C)c2C#N)n1	ZINC000592651678	359909066	/nfs/dbraw/zinc/90/90/66/359909066.db2.gz	YBGVQSFUYKWJDS-UHFFFAOYSA-N	-1	0	258.285	0.491	20	30		CCEDRM
Cc1c(C#N)c(=NC(=O)[C@@H]2CCSC2)[n-]n1C	ZINC000592654901	359910607	/nfs/dbraw/zinc/91/06/07/359910607.db2.gz	TYIVLRRFUZTSJK-MRVPVSSYSA-N	-1	0	250.327	0.714	20	30		CCEDRM
C[C@@H](C(=O)[O-])C1(NS(=O)(=O)c2ccc(C#N)nc2)CC1	ZINC000593272723	360058746	/nfs/dbraw/zinc/05/87/46/360058746.db2.gz	ARWNDBHPYPAOFH-QMMMGPOBSA-N	-1	0	295.320	0.485	20	30		CCEDRM
CCOC(=O)c1cc(=NC(=O)[C@H](C#N)CC)[nH][n-]1	ZINC000593580638	360116435	/nfs/dbraw/zinc/11/64/35/360116435.db2.gz	GWMCUZJCDFEYDA-ZETCQYMHSA-N	-1	0	250.258	0.497	20	30		CCEDRM
N#CC1(CNC(=O)c2c[n-]n3c2nccc3=O)CCCC1	ZINC000593787025	360151718	/nfs/dbraw/zinc/15/17/18/360151718.db2.gz	PKTRHBRJXHLEMS-UHFFFAOYSA-N	-1	0	285.307	0.836	20	30		CCEDRM
CO[C@@H]1[C@@H](C)[C@H](NC(=O)N=c2[n-]n(C)cc2C#N)C1(C)C	ZINC000611433271	363718169	/nfs/dbraw/zinc/71/81/69/363718169.db2.gz	WNUBRQSGVDRHFB-INTQDDNPSA-N	-1	0	291.355	0.895	20	30		CCEDRM
COC[C@@H](NC(=O)NCC1(C#N)CCCCC1)C(=O)[O-]	ZINC000594690521	360361070	/nfs/dbraw/zinc/36/10/70/360361070.db2.gz	KWGCJGWEZKWQSE-SNVBAGLBSA-N	-1	0	283.328	0.859	20	30		CCEDRM
CC[C@@H](CC#N)NC(=O)C(=O)Nc1cccnc1C(=O)[O-]	ZINC000595238146	360454254	/nfs/dbraw/zinc/45/42/54/360454254.db2.gz	OMNQKZJNFBQTDU-QMMMGPOBSA-N	-1	0	290.279	0.527	20	30		CCEDRM
N#CC1(C(=O)N[C@H]2C[C@H](C(=O)[O-])C2)CCOCC1	ZINC000595251544	360459239	/nfs/dbraw/zinc/45/92/39/360459239.db2.gz	RULAUAUEZWVMIE-KYZUINATSA-N	-1	0	252.270	0.286	20	30		CCEDRM
N#CC1(CNC(=O)NCC2(C(=O)[O-])CCC2)CC1	ZINC000595263851	360465672	/nfs/dbraw/zinc/46/56/72/360465672.db2.gz	VSURVKFBTUKEAP-UHFFFAOYSA-N	-1	0	251.286	0.844	20	30		CCEDRM
N#Cc1ncn(CC(=O)NC2(CC(=O)[O-])CCCCC2)n1	ZINC000595999753	360772136	/nfs/dbraw/zinc/77/21/36/360772136.db2.gz	QJYIKFFJXBMSPA-UHFFFAOYSA-N	-1	0	291.311	0.444	20	30		CCEDRM
N#Cc1nc(N[C@@H]2C[C@H](C(=O)[O-])C[C@@H]2O)ccc1Cl	ZINC000595975311	360750439	/nfs/dbraw/zinc/75/04/39/360750439.db2.gz	ARGASINBYNJEQB-IONOHQLYSA-N	-1	0	281.699	0.665	20	30		CCEDRM
COC(=O)c1ccc(N2CC[C@H](C(=O)[O-])C2)c(C#N)n1	ZINC000595965771	360740584	/nfs/dbraw/zinc/74/05/84/360740584.db2.gz	JYESSZOVAXRLNZ-QMMMGPOBSA-N	-1	0	275.264	0.651	20	30		CCEDRM
N#CCCCS(=O)(=O)N1CC2(CCC2)[C@@H]1C(=O)[O-]	ZINC000596034580	360778726	/nfs/dbraw/zinc/77/87/26/360778726.db2.gz	LAPRDNAHDPHIPP-VIFPVBQESA-N	-1	0	272.326	0.559	20	30		CCEDRM
C[C@@H](C#N)CN(C)C(=O)c1cc(S(N)(=O)=O)ccc1[O-]	ZINC000596893578	360975559	/nfs/dbraw/zinc/97/55/59/360975559.db2.gz	JHBQQDNCNGJPPI-QMMMGPOBSA-N	-1	0	297.336	0.271	20	30		CCEDRM
N#CCCCCNC(=O)c1cc(S(N)(=O)=O)ccc1[O-]	ZINC000597149652	361016047	/nfs/dbraw/zinc/01/60/47/361016047.db2.gz	GLNCVYUVPLSCEI-UHFFFAOYSA-N	-1	0	297.336	0.463	20	30		CCEDRM
CCC1(O)CN(C(=O)c2cc(C#N)c(SC)[n-]c2=O)C1	ZINC000597630743	361168211	/nfs/dbraw/zinc/16/82/11/361168211.db2.gz	DQTGHTIACAALQE-UHFFFAOYSA-N	-1	0	293.348	0.978	20	30		CCEDRM
COC[C@H](OC)C(=O)N=c1[n-]n(C(C)(C)C)cc1C#N	ZINC000598817868	361522233	/nfs/dbraw/zinc/52/22/33/361522233.db2.gz	ZKPOYDGPIPYZDV-JTQLQIEISA-N	-1	0	280.328	0.532	20	30		CCEDRM
C=CC1CCN(C(=O)C(=O)NC[C@@H](C)C(=O)[O-])CC1	ZINC000656003500	412730679	/nfs/dbraw/zinc/73/06/79/412730679.db2.gz	UXRUHUOTMSCMHP-SECBINFHSA-N	-1	0	268.313	0.248	20	30		CCEDRM
N#Cc1ccc(C(=O)N=c2cc(C(N)=O)[n-][nH]2)cc1Cl	ZINC000614631533	364687538	/nfs/dbraw/zinc/68/75/38/364687538.db2.gz	XZCALMXYBGXUJR-UHFFFAOYSA-N	-1	0	289.682	0.708	20	30		CCEDRM
N#C[C@]1(F)CCN(C(=O)N=c2nc3ccccn3[n-]2)C1	ZINC000615541492	364999145	/nfs/dbraw/zinc/99/91/45/364999145.db2.gz	UWYCDTLNUMMJNT-GFCCVEGCSA-N	-1	0	274.259	0.621	20	30		CCEDRM
CN=c1[n-]nc(CC(=O)N2CC[C@](F)(C#N)C2)s1	ZINC000615823751	365096625	/nfs/dbraw/zinc/09/66/25/365096625.db2.gz	YLEMYQUWPLFNJA-JTQLQIEISA-N	-1	0	269.305	0.008	20	30		CCEDRM
C=CCC[C@H](CO)NC(=O)c1ccc2oc(=O)nc-2[n-]1	ZINC000616099901	365177950	/nfs/dbraw/zinc/17/79/50/365177950.db2.gz	FGLWMSQRJPSBLE-MRVPVSSYSA-N	-1	0	277.280	0.985	20	30		CCEDRM
C=C(C)[C@@H]1OCC[C@H]1CNC(=O)N(C)CC(=O)[O-]	ZINC000621834783	366883561	/nfs/dbraw/zinc/88/35/61/366883561.db2.gz	WNFLSYABENZADO-ONGXEEELSA-N	-1	0	256.302	0.694	20	30		CCEDRM
C=C(C)COCCNC(=O)c1c[n-]n2c1nccc2=O	ZINC000621915939	366923792	/nfs/dbraw/zinc/92/37/92/366923792.db2.gz	SUSIKGWGPXLHRD-UHFFFAOYSA-N	-1	0	276.296	0.345	20	30		CCEDRM
N#Cc1c(F)cccc1S([O-])=CC(=O)N1CCOCC1	ZINC000565231994	291364070	/nfs/dbraw/zinc/36/40/70/291364070.db2.gz	PBJDGJHUXYSYOI-FQEVSTJZSA-N	-1	0	296.323	0.664	20	30		CCEDRM
C=CCC[C@H](NC(=O)c1noc2c1COCC2)C(=O)[O-]	ZINC000623176888	367464593	/nfs/dbraw/zinc/46/45/93/367464593.db2.gz	YQZNQIIKNDCGBK-VIFPVBQESA-N	-1	0	280.280	0.897	20	30		CCEDRM
C=C(C)CS(=O)(=O)N[C@H](C[C@H](OC)C1CC1)C(=O)[O-]	ZINC000656166220	412756930	/nfs/dbraw/zinc/75/69/30/412756930.db2.gz	FTOHEFQSFDPMEY-MNOVXSKESA-N	-1	0	291.369	0.750	20	30		CCEDRM
C=CCn1cc(CNC(=O)C[C@H](C)CC(=O)[O-])nn1	ZINC000656252136	412773385	/nfs/dbraw/zinc/77/33/85/412773385.db2.gz	RXXDCHPNONZYMW-VIFPVBQESA-N	-1	0	266.301	0.581	20	30		CCEDRM
C=CCCCNC(=O)C(=O)N1CC[C@@H](C(=O)[O-])[C@H](C)C1	ZINC000627273295	368940337	/nfs/dbraw/zinc/94/03/37/368940337.db2.gz	CEEGLKQBCZKTRO-GHMZBOCLSA-N	-1	0	282.340	0.638	20	30		CCEDRM
C[C@@H](NS(=O)(=O)c1ccc(Cl)cc1C#N)C(=O)[O-]	ZINC000340455010	296138365	/nfs/dbraw/zinc/13/83/65/296138365.db2.gz	OOOMSQISXWTKCA-ZCFIWIBFSA-N	-1	0	288.712	0.963	20	30		CCEDRM
N#Cc1nc(NC(=O)c2cn3c(n2)CCC3)[n-]c1C#N	ZINC000567275708	291472384	/nfs/dbraw/zinc/47/23/84/291472384.db2.gz	ZGASJISIFIVOLY-UHFFFAOYSA-N	-1	0	267.252	0.548	20	30		CCEDRM
C=C(C)CS(=O)(=O)N1C[C@H](OC)C[C@@]1(C)C(=O)[O-]	ZINC000629308572	369628079	/nfs/dbraw/zinc/62/80/79/369628079.db2.gz	SBIZUZYPSZACPS-KOLCDFICSA-N	-1	0	277.342	0.456	20	30		CCEDRM
C=CCN(C)C(=O)C(=O)N1CC[C@@H](C(=O)[O-])[C@@H](C)C1	ZINC000629771529	369771882	/nfs/dbraw/zinc/77/18/82/369771882.db2.gz	HBAHKAMAPLXAIG-VHSXEESVSA-N	-1	0	268.313	0.200	20	30		CCEDRM
C=CCOC[C@H](NC(=O)CCc1ccccn1)C(=O)[O-]	ZINC000630185759	369995780	/nfs/dbraw/zinc/99/57/80/369995780.db2.gz	GDXHXWZVRPAFAL-LBPRGKRZSA-N	-1	0	278.308	0.786	20	30		CCEDRM
C=C(C)C[C@H](NC(=O)C(=O)c1c(C)nn(C)c1C)C(=O)[O-]	ZINC000630317345	370045212	/nfs/dbraw/zinc/04/52/12/370045212.db2.gz	PAHSASVJGOLQAS-JTQLQIEISA-N	-1	0	293.323	0.755	20	30		CCEDRM
C=C(C)C[C@H](NC(=O)CC(=O)NCC(F)(F)F)C(=O)[O-]	ZINC000630320365	370045790	/nfs/dbraw/zinc/04/57/90/370045790.db2.gz	UORQOUWWCGKMDH-ZETCQYMHSA-N	-1	0	296.245	0.591	20	30		CCEDRM
C=C(C)C[C@H](NC(=O)[C@@H]1CC(=O)N(C2CC2)C1)C(=O)[O-]	ZINC000630316332	370043837	/nfs/dbraw/zinc/04/38/37/370043837.db2.gz	BLUJGJLXNKNRDE-KOLCDFICSA-N	-1	0	280.324	0.533	20	30		CCEDRM
C=CCC[C@H](NC(=O)c1ccnc2c1nnn2C)C(=O)[O-]	ZINC000630181342	369993963	/nfs/dbraw/zinc/99/39/63/369993963.db2.gz	HYQDXKLFBWQKIS-VIFPVBQESA-N	-1	0	289.295	0.513	20	30		CCEDRM
C=C(C)C[C@H](NS(=O)(=O)N(C)[C@H](C)C1CC1)C(=O)[O-]	ZINC000630437874	370116007	/nfs/dbraw/zinc/11/60/07/370116007.db2.gz	HUROHKRIBPGBIU-KOLCDFICSA-N	-1	0	290.385	0.971	20	30		CCEDRM
C=C(C)CS(=O)(=O)N[C@H](C(=O)[O-])[C@H]1CCCO1	ZINC000630421810	370107076	/nfs/dbraw/zinc/10/70/76/370107076.db2.gz	IBYMAKBJVJYBSO-BDAKNGLRSA-N	-1	0	263.315	0.114	20	30		CCEDRM
C=C(C)C[C@@H](NS(=O)(=O)CCOCC1CC1)C(=O)[O-]	ZINC000630438115	370116363	/nfs/dbraw/zinc/11/63/63/370116363.db2.gz	MAOAPDNCRDKSQO-LLVKDONJSA-N	-1	0	291.369	0.752	20	30		CCEDRM
C=C(C)C[C@H](NS(=O)(=O)N1CCC[C@H](C)C1)C(=O)[O-]	ZINC000630438566	370116897	/nfs/dbraw/zinc/11/68/97/370116897.db2.gz	RRSMYLBONJTRNP-QWRGUYRKSA-N	-1	0	290.385	0.972	20	30		CCEDRM
C=C(C)C[C@H](NS(=O)(=O)CC[C@H]1CCOC1)C(=O)[O-]	ZINC000630438605	370117598	/nfs/dbraw/zinc/11/75/98/370117598.db2.gz	SVZFNKHQCTVUNB-MNOVXSKESA-N	-1	0	291.369	0.752	20	30		CCEDRM
C#C[C@@H](C)N(C)C(=O)C(C)(C)[N-]C(=O)C(F)(F)F	ZINC000491812402	332364438	/nfs/dbraw/zinc/36/44/38/332364438.db2.gz	FDNLZVCMCCGNQF-SSDOTTSWSA-N	-1	0	264.247	0.924	20	30		CCEDRM
C=CC[C@@H](CO)CNC(=O)NCCCCC(=O)[O-]	ZINC000635521046	372582644	/nfs/dbraw/zinc/58/26/44/372582644.db2.gz	PAMFQMRSEPUXPC-SNVBAGLBSA-N	-1	0	258.318	0.725	20	30		CCEDRM
C=CCC[C@H](NC(=O)[C@H](OC)[C@H]1CCOC1)C(=O)[O-]	ZINC000656492055	412814871	/nfs/dbraw/zinc/81/48/71/412814871.db2.gz	UPGBSMZEMPZKFE-GARJFASQSA-N	-1	0	271.313	0.574	20	30		CCEDRM
C=CCC[C@H](NC(=O)c1cnn2c1CCC2)C(=O)[O-]	ZINC000637794699	374317823	/nfs/dbraw/zinc/31/78/23/374317823.db2.gz	MHXCZJVREQPTCL-JTQLQIEISA-N	-1	0	263.297	0.979	20	30		CCEDRM
C=CCCNC(=O)N(CC(=O)[O-])C1CCOCC1	ZINC000656588857	412830968	/nfs/dbraw/zinc/83/09/68/412830968.db2.gz	SVOZLOJUEACTNL-UHFFFAOYSA-N	-1	0	256.302	0.838	20	30		CCEDRM
C=CC[C@H]1CCCN(S(=O)(=O)N(C)CCC(=O)[O-])C1	ZINC000656717995	412846442	/nfs/dbraw/zinc/84/64/42/412846442.db2.gz	OUDPJOOGGSPKGD-NSHDSACASA-N	-1	0	290.385	0.926	20	30		CCEDRM
C=CC[C@@H](C)NC(=O)N=c1ccc(C(=O)NC)n[n-]1	ZINC000640322751	376315706	/nfs/dbraw/zinc/31/57/06/376315706.db2.gz	BDWBIAQAQJQWNI-MRVPVSSYSA-N	-1	0	263.301	0.344	20	30		CCEDRM
C#CCOc1ccc(C(=O)NC[C@@H](OC)C(=O)[O-])cc1	ZINC000263131378	533183799	/nfs/dbraw/zinc/18/37/99/533183799.db2.gz	SXXQBZZIIIABJD-GFCCVEGCSA-N	-1	0	277.276	0.528	20	30		CCEDRM
C#CCO[N-]C(=O)[C@@H]1CC(=O)N(C)[C@H]1c1cccnc1	ZINC000291010476	388916726	/nfs/dbraw/zinc/91/67/26/388916726.db2.gz	AVJMIPAJXBVHNB-YPMHNXCESA-N	-1	0	273.292	0.282	20	30		CCEDRM
C#CCO[N-]C(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(C)=O	ZINC000291363668	388920958	/nfs/dbraw/zinc/92/09/58/388920958.db2.gz	YQCFYIMINWTUQJ-OAHLLOKOSA-N	-1	0	299.330	0.896	20	30		CCEDRM
C#CCNC(=O)N1CCC[C@@H](NC(=O)C(F)(F)F)[C@H]1C	ZINC000291682480	388932991	/nfs/dbraw/zinc/93/29/91/388932991.db2.gz	NGWMTLISZXTQAY-RKDXNWHRSA-N	-1	0	291.273	0.861	20	30		CCEDRM
C=CCCCS(=O)(=O)[N-]c1ncc(C(N)=O)s1	ZINC000291890922	388942442	/nfs/dbraw/zinc/94/24/42/388942442.db2.gz	OUKCVDZREPNYJE-UHFFFAOYSA-N	-1	0	275.355	0.950	20	30		CCEDRM
C=CCCC(=O)NCC(=O)N[C@@H](CC(C)C)C(=O)[O-]	ZINC000192981298	389058552	/nfs/dbraw/zinc/05/85/52/389058552.db2.gz	JKSZDKWDWYAJQM-JTQLQIEISA-N	-1	0	270.329	0.684	20	30		CCEDRM
C[C@H](CC#N)NC(=O)c1c[nH]c2nc(=O)[n-]c(=O)c-2c1	ZINC000338064771	389072384	/nfs/dbraw/zinc/07/23/84/389072384.db2.gz	KDPMNSKNDJHDSF-ZCFIWIBFSA-N	-1	0	273.252	0.468	20	30		CCEDRM
CC(C)C[C@H](CNC(=O)N1CCO[C@@H](C#N)C1)C(=O)[O-]	ZINC000094706405	389040237	/nfs/dbraw/zinc/04/02/37/389040237.db2.gz	VPHMCXCPDACFRX-MNOVXSKESA-N	-1	0	283.328	0.667	20	30		CCEDRM
CCN(C[C@@H](C)C#N)C(=O)Cn1nc(SC)[n-]c1=O	ZINC000194575703	389098206	/nfs/dbraw/zinc/09/82/06/389098206.db2.gz	DZGKBAPIWIIGDY-QMMMGPOBSA-N	-1	0	283.357	0.301	20	30		CCEDRM
Cn1cc(N=C([O-])[C@@H]2CCCSC2)c(=O)n(C)c1=O	ZINC000329638501	389180531	/nfs/dbraw/zinc/18/05/31/389180531.db2.gz	ARUNOYFJVBCKBJ-MRVPVSSYSA-N	-1	0	283.353	0.815	20	30		CCEDRM
C=CCCS(=O)(=O)NN=c1nc(C)cc(C)[nH]1	ZINC000122978084	389154638	/nfs/dbraw/zinc/15/46/38/389154638.db2.gz	ZPHZKQANTDDTBV-UHFFFAOYSA-N	-1	0	256.331	0.916	20	30		CCEDRM
C=CCOCC(=O)N[C@@H]1CCN([C@@H](C(=O)[O-])C(C)C)C1=O	ZINC000358723386	389158598	/nfs/dbraw/zinc/15/85/98/389158598.db2.gz	YUUCCWFQDCUXMZ-ZYHUDNBSSA-N	-1	0	298.339	0.015	20	30		CCEDRM
N#Cc1c(Cl)cccc1S(=O)(=O)NCCC(=O)[O-]	ZINC000340452113	389159184	/nfs/dbraw/zinc/15/91/84/389159184.db2.gz	UFQYZNMFMYIPNP-UHFFFAOYSA-N	-1	0	288.712	0.965	20	30		CCEDRM
C=CCC(C)(C)CNC(=O)C(=O)N=c1ccc(OC)n[n-]1	ZINC000342905186	389255282	/nfs/dbraw/zinc/25/52/82/389255282.db2.gz	WPWPIGNJTBCTLT-UHFFFAOYSA-N	-1	0	292.339	0.564	20	30		CCEDRM
C[C@@H](CCCC(=O)[O-])NS(=O)(=O)c1ccc(C#N)nc1	ZINC000159675381	389371865	/nfs/dbraw/zinc/37/18/65/389371865.db2.gz	BBRMWVTYYIZHLG-VIFPVBQESA-N	-1	0	297.336	0.875	20	30		CCEDRM
CCN(C[C@H](C)C(=O)[O-])S(=O)(=O)c1ccc(C#N)nc1	ZINC000159691811	389372046	/nfs/dbraw/zinc/37/20/46/389372046.db2.gz	JAUPUGXMKKILAH-VIFPVBQESA-N	-1	0	297.336	0.685	20	30		CCEDRM
CC(C)S(=O)(=O)[N-]C(=O)c1ccc(C#N)n1C	ZINC000408485423	389366361	/nfs/dbraw/zinc/36/63/61/389366361.db2.gz	PIQMOEVSZAUBEL-UHFFFAOYSA-N	-1	0	255.299	0.365	20	30		CCEDRM
COc1cc(CNC(=O)NCCC(=O)[O-])ccc1C#N	ZINC000414604850	389622772	/nfs/dbraw/zinc/62/27/72/389622772.db2.gz	BKYGBFKCYBVAHM-UHFFFAOYSA-N	-1	0	277.280	0.841	20	30		CCEDRM
COCCN=c1[n-]nc(SC[C@H](O)CC#N)s1	ZINC000352160252	389762993	/nfs/dbraw/zinc/76/29/93/389762993.db2.gz	ISBAHTLBPSUQOF-SSDOTTSWSA-N	-1	0	274.371	0.385	20	30		CCEDRM
N#Cc1ccc(CNC(=O)[C@H]2CC[C@H](C(=O)[O-])O2)cc1F	ZINC000404042213	389810326	/nfs/dbraw/zinc/81/03/26/389810326.db2.gz	AORIXZJEBCSTGU-VXGBXAGGSA-N	-1	0	292.266	0.946	20	30		CCEDRM
Cc1cc(=NC(=O)c2ccc(C#N)c([O-])c2)[nH]n1C	ZINC000442668183	389854965	/nfs/dbraw/zinc/85/49/65/389854965.db2.gz	COEVKKMDUCEYNB-UHFFFAOYSA-N	-1	0	256.265	0.980	20	30		CCEDRM
N#C[C@@]1(NC(=O)c2cc([N+](=O)[O-])ccc2[O-])CCOC1	ZINC000436940396	389987594	/nfs/dbraw/zinc/98/75/94/389987594.db2.gz	WMRQGFPWFCWZNH-LBPRGKRZSA-N	-1	0	277.236	0.713	20	30		CCEDRM
Cn1ncc(C#N)c1[N-]S(=O)(=O)c1cnc2n1CCC2	ZINC000438254583	390004023	/nfs/dbraw/zinc/00/40/23/390004023.db2.gz	ZHDJRIQUSLAPRX-UHFFFAOYSA-N	-1	0	292.324	0.235	20	30		CCEDRM
N#CCOc1ccc(/C=C/C(=O)NCc2n[n-]c(=N)o2)cc1	ZINC000492754753	390118401	/nfs/dbraw/zinc/11/84/01/390118401.db2.gz	WGUVZELMXNAXCD-ZZXKWVIFSA-N	-1	0	299.290	0.714	20	30		CCEDRM
C#CCCS(=O)(=O)[N-]C(=O)/C=C/c1ccnn1CC	ZINC000493231925	390121222	/nfs/dbraw/zinc/12/12/22/390121222.db2.gz	ATJHVEXJPIYPSD-VOTSOKGWSA-N	-1	0	281.337	0.386	20	30		CCEDRM
Cn1[n-]nnc1=NC1CCC(Oc2ccc(C#N)cn2)CC1	ZINC000535078079	390139632	/nfs/dbraw/zinc/13/96/32/390139632.db2.gz	IDPQZHFSUJGQDT-UHFFFAOYSA-N	-1	0	299.338	0.701	20	30		CCEDRM
C=CCn1cc(C(=O)N(C)CCCC(=O)[O-])nn1	ZINC000647726858	390147539	/nfs/dbraw/zinc/14/75/39/390147539.db2.gz	URYMNVJJPJTJET-UHFFFAOYSA-N	-1	0	252.274	0.401	20	30		CCEDRM
CC[C@@H](NC(=O)C(=O)Nc1cc(C#N)ccc1C)C(=O)[O-]	ZINC000580062680	390215086	/nfs/dbraw/zinc/21/50/86/390215086.db2.gz	QUDTUAFUOIFTHM-SNVBAGLBSA-N	-1	0	289.291	0.785	20	30		CCEDRM
C=CCOC[C@H](NC(=O)NC[C@@H]1CCSC1)C(=O)[O-]	ZINC000584395103	390339267	/nfs/dbraw/zinc/33/92/67/390339267.db2.gz	CBTXGRWZHPUMJY-UWVGGRQHSA-N	-1	0	288.369	0.695	20	30		CCEDRM
C=CCn1cc(C(=O)N[C@@H](CCC)c2nnn[n-]2)nn1	ZINC000648815506	390415376	/nfs/dbraw/zinc/41/53/76/390415376.db2.gz	TYEIFTQLUYYUBM-QMMMGPOBSA-N	-1	0	276.304	0.248	20	30		CCEDRM
CC#CC[C@@H](CO)N=c1[n-]nc(-c2ccon2)s1	ZINC000645407504	390422462	/nfs/dbraw/zinc/42/24/62/390422462.db2.gz	ZVYYNOUWCFMZLA-QMMMGPOBSA-N	-1	0	264.310	0.801	20	30		CCEDRM
CC#CC[C@H](CO)N=c1[n-]nc(-c2ccon2)s1	ZINC000645407503	390422633	/nfs/dbraw/zinc/42/26/33/390422633.db2.gz	ZVYYNOUWCFMZLA-MRVPVSSYSA-N	-1	0	264.310	0.801	20	30		CCEDRM
C=CCN(CC(=O)[O-])S(=O)(=O)c1cccc2c1OCC2	ZINC000643297694	390430540	/nfs/dbraw/zinc/43/05/40/390430540.db2.gz	WVJKQYPRYJXYCB-UHFFFAOYSA-N	-1	0	297.332	0.883	20	30		CCEDRM
Cc1c(C#N)c(=NC(=O)[C@@H]2C[C@H]3CC(=O)[C@@H]2C3)[n-]n1C	ZINC000648434349	390372382	/nfs/dbraw/zinc/37/23/82/390372382.db2.gz	HQZKBSFULGEJOT-IVZWLZJFSA-N	-1	0	272.308	0.576	20	30		CCEDRM
C=CCn1cc(C(=O)N2C[C@@H](OC)C[C@@H]2CC(=O)[O-])nn1	ZINC000649250912	390538579	/nfs/dbraw/zinc/53/85/79/390538579.db2.gz	BYLMRSUKFYADPU-ZJUUUORDSA-N	-1	0	294.311	0.168	20	30		CCEDRM
N#Cc1ccc(S(=O)(=O)NC2(C(=O)[O-])CCC2)c(F)c1	ZINC000565786470	390546388	/nfs/dbraw/zinc/54/63/88/390546388.db2.gz	AWAXTWYTVMJQHF-UHFFFAOYSA-N	-1	0	298.295	0.983	20	30		CCEDRM
C=CCCCS(=O)(=O)N1CCC[C@H]([C@H](O)C(=O)[O-])C1	ZINC000566807227	390650528	/nfs/dbraw/zinc/65/05/28/390650528.db2.gz	IHQMVJBEVCPNAB-QWRGUYRKSA-N	-1	0	291.369	0.440	20	30		CCEDRM
C[C@H](CCCNS(=O)(=O)N(C)C[C@H](C)C#N)C(=O)[O-]	ZINC000566313331	390596464	/nfs/dbraw/zinc/59/64/64/390596464.db2.gz	URDGAZQDFNQTCQ-NXEZZACHSA-N	-1	0	291.373	0.413	20	30		CCEDRM
CC[C@@H]1C[C@H]1C(=O)N1CC(n2cc(C#N)c(=O)[n-]c2=O)C1	ZINC000530271366	390875825	/nfs/dbraw/zinc/87/58/25/390875825.db2.gz	HDGRGMRAIOSTJY-LDYMZIIASA-N	-1	0	288.307	0.250	20	30		CCEDRM
C=CCOCCCC(=O)N1CCC[C@H](c2nnn[n-]2)C1	ZINC000532793159	390885195	/nfs/dbraw/zinc/88/51/95/390885195.db2.gz	GMAPKDQUIGSNLY-NSHDSACASA-N	-1	0	279.344	0.889	20	30		CCEDRM
COc1ccc(=NC(=O)NC[C@]2(CCO)CCOC2)[n-]n1	ZINC000329073462	533253446	/nfs/dbraw/zinc/25/34/46/533253446.db2.gz	AXHJSNBEWRUADY-ZDUSSCGKSA-N	-1	0	296.327	0.022	20	30		CCEDRM
N#Cc1ccc(C(=O)NC2(c3nnn[n-]3)CC2)cc1O	ZINC000357066458	144055734	/nfs/dbraw/zinc/05/57/34/144055734.db2.gz	BUKXUCAIRJKVJP-UHFFFAOYSA-N	-1	0	270.252	0.196	20	30		CCEDRM
Cc1[n-][nH]c(=NC(=O)c2ccc3c(c2)C(=O)NC3=O)c1C#N	ZINC000357163040	144066359	/nfs/dbraw/zinc/06/63/59/144066359.db2.gz	JALNONASIYWILL-UHFFFAOYSA-N	-1	0	295.258	0.148	20	30		CCEDRM
CC[C@H]1C[C@@H](C(=O)N=c2[nH][n-]c(C)c2C#N)CC(=O)N1	ZINC000357235784	144071934	/nfs/dbraw/zinc/07/19/34/144071934.db2.gz	WXDWMJDGLHOACN-BDAKNGLRSA-N	-1	0	275.312	0.255	20	30		CCEDRM
Cc1[n-][nH]c(=NC(=O)C(C)(C)c2cnn(C)c2)c1C#N	ZINC000357236842	144072131	/nfs/dbraw/zinc/07/21/31/144072131.db2.gz	ZQZGWUFRHDSLIX-UHFFFAOYSA-N	-1	0	272.312	0.662	20	30		CCEDRM
Cc1[n-][nH]c(=NC(=O)C(=O)c2ccc(F)cc2)c1C#N	ZINC000357245892	144073243	/nfs/dbraw/zinc/07/32/43/144073243.db2.gz	RJRLKDHBWJUZSV-UHFFFAOYSA-N	-1	0	272.239	0.972	20	30		CCEDRM
Cc1[n-][nH]c(=NC(=O)c2cnc(C)nc2C)c1C#N	ZINC000357258139	144075546	/nfs/dbraw/zinc/07/55/46/144075546.db2.gz	NBCHQDXZBVLZNK-UHFFFAOYSA-N	-1	0	256.269	0.671	20	30		CCEDRM
C=CCCS(=O)(=O)N[C@@H](CC1(OC)CCC1)C(=O)[O-]	ZINC000650433393	397719679	/nfs/dbraw/zinc/71/96/79/397719679.db2.gz	YUTQYEJLHPSFRJ-JTQLQIEISA-N	-1	0	291.369	0.894	20	30		CCEDRM
CO[C@@H](CNS(=O)(=O)c1cccc(C)c1C#N)C(=O)[O-]	ZINC000548540463	286046658	/nfs/dbraw/zinc/04/66/58/286046658.db2.gz	ONYWCUSRRVALET-JTQLQIEISA-N	-1	0	298.320	0.245	20	30		CCEDRM
C=CCOC[C@H](NC(=O)[C@@H]1CC[C@H](OC)C1)C(=O)[O-]	ZINC000659155618	413318731	/nfs/dbraw/zinc/31/87/31/413318731.db2.gz	FEJHPQWXKZGIKM-VWYCJHECSA-N	-1	0	271.313	0.574	20	30		CCEDRM
C=CCCCN(C)S(=O)(=O)N1CCC[C@@H](C(=O)[O-])C1	ZINC000220239523	411736514	/nfs/dbraw/zinc/73/65/14/411736514.db2.gz	BLDPBRXUVYBZQT-LLVKDONJSA-N	-1	0	290.385	0.926	20	30		CCEDRM
CC#CC[C@H](NS(=O)(=O)c1cn(C(C)C)cn1)C(=O)[O-]	ZINC000541931342	411830715	/nfs/dbraw/zinc/83/07/15/411830715.db2.gz	TZLSDNLRDSGTLL-JTQLQIEISA-N	-1	0	299.352	0.609	20	30		CCEDRM
C=CCCS(=O)(=O)N[C@H](Cc1ccncc1)C(=O)[O-]	ZINC000653497203	412307918	/nfs/dbraw/zinc/30/79/18/412307918.db2.gz	WCIARBAXFTZLNY-LLVKDONJSA-N	-1	0	284.337	0.573	20	30		CCEDRM
C=CCOC[C@H](NC(=O)NCC1(COC)CC1)C(=O)[O-]	ZINC000653532469	412312294	/nfs/dbraw/zinc/31/22/94/412312294.db2.gz	SLGDYJVATSFKMK-JTQLQIEISA-N	-1	0	286.328	0.368	20	30		CCEDRM
C=CCOCCNC(=O)C(=O)NC1CCC(C(=O)[O-])CC1	ZINC000659658056	413757310	/nfs/dbraw/zinc/75/73/10/413757310.db2.gz	DUSFGTYHTAPNOZ-UHFFFAOYSA-N	-1	0	298.339	0.065	20	30		CCEDRM
C=CCCCCNC(=O)C(=O)NCC1(C(=O)[O-])CCC1	ZINC000659667220	413764153	/nfs/dbraw/zinc/76/41/53/413764153.db2.gz	GXERMAYJWZSDLP-UHFFFAOYSA-N	-1	0	282.340	0.830	20	30		CCEDRM
CC#CCN(C)C(=O)C(=O)N1CCC(CCC(=O)[O-])CC1	ZINC000662915636	414889115	/nfs/dbraw/zinc/88/91/15/414889115.db2.gz	NGIGADNEDFZWQN-UHFFFAOYSA-N	-1	0	294.351	0.572	20	30		CCEDRM
C=CCCS(=O)(=O)NC[C@@H](C(=O)[O-])C1CCC1	ZINC000663253928	415030024	/nfs/dbraw/zinc/03/00/24/415030024.db2.gz	CTLGCPAKOSNQOL-SNVBAGLBSA-N	-1	0	261.343	0.983	20	30		CCEDRM
C=C(C)CS(=O)(=O)N1CC2(CCC2)[C@H]1C(=O)[O-]	ZINC000663286892	415039034	/nfs/dbraw/zinc/03/90/34/415039034.db2.gz	FGHBIWOGEIBAIC-SECBINFHSA-N	-1	0	259.327	0.831	20	30		CCEDRM
N#C[C@@H](CCc1ccccc1)C(=O)NCc1n[n-]c(=N)o1	ZINC000354839261	227155465	/nfs/dbraw/zinc/15/54/65/227155465.db2.gz	LRYWFXADENOEFG-LLVKDONJSA-N	-1	0	285.307	0.871	20	30		CCEDRM
C[C@H](Sc1n[nH]c(=O)[n-]1)C(=O)NC1(C#N)CCC1	ZINC000331577476	228113074	/nfs/dbraw/zinc/11/30/74/228113074.db2.gz	LCCYVEPTKSNJND-LURJTMIESA-N	-1	0	267.314	0.553	20	30		CCEDRM
N#CCSCC(=O)NC1(c2nnn[n-]2)CCCC1	ZINC000332378294	228157524	/nfs/dbraw/zinc/15/75/24/228157524.db2.gz	FNQZUKPBTIHORU-UHFFFAOYSA-N	-1	0	266.330	0.342	20	30		CCEDRM
C=CCOCCNC(=O)N[C@H](C(=O)[O-])C(C)(C)C	ZINC000302389982	544981698	/nfs/dbraw/zinc/98/16/98/544981698.db2.gz	NALOARPWNDRHAP-SECBINFHSA-N	-1	0	258.318	0.988	20	30		CCEDRM
N#Cc1ccc(S(=O)(=O)[N-]c2ncccn2)cn1	ZINC000131788991	260411233	/nfs/dbraw/zinc/41/12/33/260411233.db2.gz	ZKHWWWXCOMFENQ-UHFFFAOYSA-N	-1	0	261.266	0.544	20	30		CCEDRM
CSc1nn(CC(=O)Nc2sccc2C#N)c(=O)[n-]1	ZINC000188163165	261853993	/nfs/dbraw/zinc/85/39/93/261853993.db2.gz	SJGJSSWTBFRPRH-UHFFFAOYSA-N	-1	0	295.349	0.865	20	30		CCEDRM
C#CCO[N-]C(=O)COC1(C)CN(C(=O)OC(C)(C)C)C1	ZINC000497301551	262137401	/nfs/dbraw/zinc/13/74/01/262137401.db2.gz	RQRTYPLWEUZWJH-UHFFFAOYSA-N	-1	0	298.339	0.693	20	30		CCEDRM
CC#CC[C@@H](NS(=O)(=O)CCCCF)C(=O)[O-]	ZINC000287589561	263102193	/nfs/dbraw/zinc/10/21/93/263102193.db2.gz	QGUSQHBDEPGWHZ-SECBINFHSA-N	-1	0	265.306	0.522	20	30		CCEDRM
CCc1cnc(CNS(=O)(=O)CCCC#N)o1	ZINC000331042720	264108057	/nfs/dbraw/zinc/10/80/57/264108057.db2.gz	RMVUUDPEDWOLSC-UHFFFAOYSA-N	-1	0	257.315	0.960	20	30		CCEDRM
C[C@@H](C[S@@](C)=O)N(C)C(=O)N=c1cn[n-]s1	ZINC000331133948	264134722	/nfs/dbraw/zinc/13/47/22/264134722.db2.gz	CDZVYUBBWDJUSS-XABCROFNSA-N	-1	0	262.360	0.782	20	30		CCEDRM
CCC[NH+]1CCC(/N=C(/[O-])c2cnc([O-])n(C)c2=O)CC1	ZINC000331226794	264150365	/nfs/dbraw/zinc/15/03/65/264150365.db2.gz	FPCMUAVXGXYZEC-UHFFFAOYSA-N	-1	0	294.355	0.665	20	30		CCEDRM
C=CCCO[C@H](C)C(=O)NCCc1nc(=O)o[n-]1	ZINC000280180250	264435992	/nfs/dbraw/zinc/43/59/92/264435992.db2.gz	SZSHRBZHDOWRPD-MRVPVSSYSA-N	-1	0	255.274	0.003	20	30		CCEDRM
C=CC[C@H](NS(=O)(=O)c1cn(C)nc1C)C(=O)[O-]	ZINC000287079559	264607735	/nfs/dbraw/zinc/60/77/35/264607735.db2.gz	CBFNZGVHPRQSHL-QMMMGPOBSA-N	-1	0	273.314	0.036	20	30		CCEDRM
C#CCO[N-]C(=O)[C@@H]1CSCN1C(=O)[C@H](C)CC	ZINC000291253781	264816769	/nfs/dbraw/zinc/81/67/69/264816769.db2.gz	MJDCACSJXDJDGS-ZJUUUORDSA-N	-1	0	270.354	0.615	20	30		CCEDRM
C=C[C@@H](CO)NC(=O)N=c1[n-]nc(CC(C)C)s1	ZINC000349902950	265214206	/nfs/dbraw/zinc/21/42/06/265214206.db2.gz	DIHNJEQKEYUISG-QMMMGPOBSA-N	-1	0	270.358	0.827	20	30		CCEDRM
C=CCC1(C(=O)N2CCO[C@H](c3nnn[n-]3)C2)CCC1	ZINC000370104414	267290833	/nfs/dbraw/zinc/29/08/33/267290833.db2.gz	VFBULAQCVBOORP-JTQLQIEISA-N	-1	0	277.328	0.846	20	30		CCEDRM
CC[C@H]1[C@H](C(=O)[O-])CCN1S(=O)(=O)CCCC#N	ZINC000376694353	268009146	/nfs/dbraw/zinc/00/91/46/268009146.db2.gz	ILGDMFHRVWHVIB-ZJUUUORDSA-N	-1	0	274.342	0.805	20	30		CCEDRM
Cc1cc(C#N)ccc1S(=O)(=O)N1CC[C@H]1C(=O)[O-]	ZINC000279219938	301076505	/nfs/dbraw/zinc/07/65/05/301076505.db2.gz	HYVDEXJAZXVIJI-JTQLQIEISA-N	-1	0	280.305	0.714	20	30		CCEDRM
N#CC1(F)CCN(C(=O)N=c2[n-]ncs2)CC1	ZINC000353360778	303144558	/nfs/dbraw/zinc/14/45/58/303144558.db2.gz	LWRUBZYKKZSUAZ-UHFFFAOYSA-N	-1	0	255.278	0.820	20	30		CCEDRM
N#Cc1nc(NC(=O)c2n[nH]c3c2CCC3)[n-]c1C#N	ZINC000122555401	303216947	/nfs/dbraw/zinc/21/69/47/303216947.db2.gz	VGSZOKCHSGXDDY-UHFFFAOYSA-N	-1	0	267.252	0.617	20	30		CCEDRM
C=CCCCC(=O)[N-]S(=O)(=O)C[C@H]1CCOC1	ZINC000762129576	581932495	/nfs/dbraw/zinc/93/24/95/581932495.db2.gz	PDQFUMJWRKGNTI-JTQLQIEISA-N	-1	0	261.343	0.825	20	30		CCEDRM
C=C[C@H](CCC(=O)[O-])NS(=O)(=O)c1cncn1CC	ZINC000562982503	327733506	/nfs/dbraw/zinc/73/35/06/327733506.db2.gz	NKUVIBCWDXFXOD-SECBINFHSA-N	-1	0	287.341	0.601	20	30		CCEDRM
O=C(NCC#Cc1ccccc1)c1c[n-]n2c1nccc2=O	ZINC000339249176	328003505	/nfs/dbraw/zinc/00/35/05/328003505.db2.gz	NTORTXFWAMVAEH-UHFFFAOYSA-N	-1	0	292.298	0.804	20	30		CCEDRM
CCN(CC#N)CC1=Nc2ccccc2S(=O)(=O)[N-]1	ZINC000339732462	328022812	/nfs/dbraw/zinc/02/28/12/328022812.db2.gz	ZORYEUGMMXVIGW-UHFFFAOYSA-N	-1	0	278.337	0.854	20	30		CCEDRM
C[C@@H](O)CCN(C)C([O-])=Nc1cccn(C)c1=O	ZINC000331013359	328473324	/nfs/dbraw/zinc/47/33/24/328473324.db2.gz	FVZRAWUGAHYTFN-SECBINFHSA-N	-1	0	253.302	0.634	20	30		CCEDRM
CN(C[C@@H]1CCOC1)C([O-])=Nc1cccn(C)c1=O	ZINC000331206902	328478038	/nfs/dbraw/zinc/47/80/38/328478038.db2.gz	YNQAIOHVMQUINQ-JTQLQIEISA-N	-1	0	265.313	0.899	20	30		CCEDRM
C=CCCS(=O)(=O)N1C[C@H](OC)C[C@H]1C(=O)[O-]	ZINC000370429843	326823684	/nfs/dbraw/zinc/82/36/84/326823684.db2.gz	FGBQJRKTROTTTD-BDAKNGLRSA-N	-1	0	263.315	0.066	20	30		CCEDRM
CCN(C[C@H](C)C#N)S(=O)(=O)NC(C)(C)CC(=O)[O-]	ZINC000584295340	327225650	/nfs/dbraw/zinc/22/56/50/327225650.db2.gz	ZODGUVUEMYIZHW-SECBINFHSA-N	-1	0	291.373	0.556	20	30		CCEDRM
CCN(C[C@@H](C)C#N)S(=O)(=O)NC(C)(C)CC(=O)[O-]	ZINC000584295341	327225655	/nfs/dbraw/zinc/22/56/55/327225655.db2.gz	ZODGUVUEMYIZHW-VIFPVBQESA-N	-1	0	291.373	0.556	20	30		CCEDRM
C=CCN=c1[n-]nc(SCc2cnnn2C)s1	ZINC000583350331	327314522	/nfs/dbraw/zinc/31/45/22/327314522.db2.gz	VORMGWQYOOIVPD-UHFFFAOYSA-N	-1	0	268.371	0.979	20	30		CCEDRM
C=CCOC[C@H](NC(=O)c1cn2c(n1)CCC2)C(=O)[O-]	ZINC000582788538	329200494	/nfs/dbraw/zinc/20/04/94/329200494.db2.gz	JDVZWUWGRTUAGB-JTQLQIEISA-N	-1	0	279.296	0.215	20	30		CCEDRM
CN(CCC(=O)[O-])S(=O)(=O)CC1(C#N)CCCC1	ZINC000262497413	330017748	/nfs/dbraw/zinc/01/77/48/330017748.db2.gz	YNIFXHFLQBIUDQ-UHFFFAOYSA-N	-1	0	274.342	0.807	20	30		CCEDRM
C=CCOc1cccnc1C(=O)N[C@@H](COC)C(=O)[O-]	ZINC000262908841	330036705	/nfs/dbraw/zinc/03/67/05/330036705.db2.gz	IOYFSKLGJCDETH-VIFPVBQESA-N	-1	0	280.280	0.476	20	30		CCEDRM
C=CCOC[C@H](NC(=O)c1ccc(F)cn1)C(=O)[O-]	ZINC000263031529	330039773	/nfs/dbraw/zinc/03/97/73/330039773.db2.gz	OPOPFZIDNZYJJO-JTQLQIEISA-N	-1	0	268.244	0.606	20	30		CCEDRM
C=C(C)COCCNC(=O)c1cnc(C(=O)[O-])cn1	ZINC000263278195	330051650	/nfs/dbraw/zinc/05/16/50/330051650.db2.gz	NUIINFSIMLPRKM-UHFFFAOYSA-N	-1	0	265.269	0.497	20	30		CCEDRM
C=CCOCCCC(=O)N1CCOC[C@H]1CC(=O)[O-]	ZINC000263340226	330052620	/nfs/dbraw/zinc/05/26/20/330052620.db2.gz	XGPPJPAHKDYZNZ-LLVKDONJSA-N	-1	0	271.313	0.671	20	30		CCEDRM
C#CCNC(=O)c1ccc(N(C)[C@H](C)C(=O)[O-])nc1	ZINC000263453326	330056711	/nfs/dbraw/zinc/05/67/11/330056711.db2.gz	AHQRPXNVVGWZCS-SECBINFHSA-N	-1	0	261.281	0.354	20	30		CCEDRM
CCCC[C@H](NS(=O)(=O)N(C)[C@@H](C)CC#N)C(=O)[O-]	ZINC000263480679	330057410	/nfs/dbraw/zinc/05/74/10/330057410.db2.gz	KSGXWHJJJIZWNJ-UWVGGRQHSA-N	-1	0	291.373	0.698	20	30		CCEDRM
CCN(C[C@@H](C)C#N)S(=O)(=O)N(C)C[C@@H](C)C(=O)[O-]	ZINC000263502944	330058161	/nfs/dbraw/zinc/05/81/61/330058161.db2.gz	ULMQMRRZINBVKV-VHSXEESVSA-N	-1	0	291.373	0.365	20	30		CCEDRM
C[C@H](CC#N)N(C)S(=O)(=O)N1CCC[C@@H]1C(=O)[O-]	ZINC000263546917	330059399	/nfs/dbraw/zinc/05/93/99/330059399.db2.gz	HSIQMYUBYNAWIR-RKDXNWHRSA-N	-1	0	275.330	0.014	20	30		CCEDRM
C=CC1CCN(C(=O)C(=O)N2CCC[C@@H](C(=O)[O-])C2)CC1	ZINC000422822769	330156674	/nfs/dbraw/zinc/15/66/74/330156674.db2.gz	KNVFJZUIDSIDRI-GFCCVEGCSA-N	-1	0	294.351	0.734	20	30		CCEDRM
C=C[C@H]1CCCCN1C(=O)C(=O)N1CC[C@@](C)(C(=O)[O-])C1	ZINC000422905010	330159565	/nfs/dbraw/zinc/15/95/65/330159565.db2.gz	HMHKPSHQLBJUPQ-XHDPSFHLSA-N	-1	0	294.351	0.877	20	30		CCEDRM
C=CCC1(C(=O)NC[C@](C)(O)C(=O)[O-])CCOCC1	ZINC000424229415	330330737	/nfs/dbraw/zinc/33/07/37/330330737.db2.gz	XBZRMYSUDPDJHA-LBPRGKRZSA-N	-1	0	271.313	0.311	20	30		CCEDRM
C=CCCn1cc(C(=O)N(CCC)CC(=O)[O-])nn1	ZINC000424229544	330330799	/nfs/dbraw/zinc/33/07/99/330330799.db2.gz	XNSOCVUCFWJDDN-UHFFFAOYSA-N	-1	0	266.301	0.791	20	30		CCEDRM
C=CC[C@@H](CO)NC(=O)NC[C@H](CC(C)C)C(=O)[O-]	ZINC000424427807	330351742	/nfs/dbraw/zinc/35/17/42/330351742.db2.gz	WBDZVZMSJFCZNZ-QWRGUYRKSA-N	-1	0	272.345	0.970	20	30		CCEDRM
CC#CCCNC(=O)N=c1ccc(-c2cnn(C)c2)n[n-]1	ZINC000434065614	330635000	/nfs/dbraw/zinc/63/50/00/330635000.db2.gz	JAAKSVGHXKBOPF-UHFFFAOYSA-N	-1	0	284.323	0.834	20	30		CCEDRM
Cc1cc(=NC(=O)N=c2cc(C)c(C)n[n-]2)[nH]n1CCC#N	ZINC000446150446	330845443	/nfs/dbraw/zinc/84/54/43/330845443.db2.gz	XRZYHGNTPYNNOI-UHFFFAOYSA-N	-1	0	299.338	1.000	20	30		CCEDRM
C#CCN(Cc1ccccc1)C(=O)c1cc(=O)[nH][n-]1	ZINC000491218977	332167889	/nfs/dbraw/zinc/16/78/89/332167889.db2.gz	BFACHCVBBRGSRC-UHFFFAOYSA-N	-1	0	255.277	0.524	20	30		CCEDRM
N#CCCCS(=O)(=O)[N-]C(=O)/C=C\c1cccnc1	ZINC000492368206	332394475	/nfs/dbraw/zinc/39/44/75/332394475.db2.gz	REECIQRXIMBAGO-WAYWQWQTSA-N	-1	0	279.321	0.845	20	30		CCEDRM
C=C(C)CS(=O)(=O)N(CCO)[C@@H](C)CC(=O)[O-]	ZINC000516870674	333084854	/nfs/dbraw/zinc/08/48/54/333084854.db2.gz	KILHBEUDOHQVGR-VIFPVBQESA-N	-1	0	265.331	0.050	20	30		CCEDRM
C#CCN(CC#C)S(=O)(=O)c1cc(C(=O)[O-])cs1	ZINC000185039395	333134777	/nfs/dbraw/zinc/13/47/77/333134777.db2.gz	GVIOQYDLQCGJQJ-UHFFFAOYSA-N	-1	0	283.330	0.703	20	30		CCEDRM
C#CCN(CC#C)S(=O)(=O)c1cc(C(=O)[O-])ccc1F	ZINC000185040099	333134801	/nfs/dbraw/zinc/13/48/01/333134801.db2.gz	ZJQATEQKHDQVKP-UHFFFAOYSA-N	-1	0	295.291	0.781	20	30		CCEDRM
C=CCC[C@H](NC(=O)/C=C\c1ccnn1C)C(=O)[O-]	ZINC000316508935	333397347	/nfs/dbraw/zinc/39/73/47/333397347.db2.gz	SUVFDXZQTYHHFT-ZADCQDASSA-N	-1	0	263.297	0.969	20	30		CCEDRM
CC#CC[C@@H](NS(=O)(=O)N(CCC)CCC)C(=O)[O-]	ZINC000542860549	333845916	/nfs/dbraw/zinc/84/59/16/333845916.db2.gz	YLCPJDQYPRHFNL-LLVKDONJSA-N	-1	0	290.385	0.809	20	30		CCEDRM
N#CC1(CS(=O)(=O)N2CC[C@H]2C(=O)[O-])CCCC1	ZINC000576203301	335169211	/nfs/dbraw/zinc/16/92/11/335169211.db2.gz	ZJAAORFMGSATFU-VIFPVBQESA-N	-1	0	272.326	0.559	20	30		CCEDRM
C[C@](CO)(CNS(=O)(=O)CCCCC#N)CC(=O)[O-]	ZINC000548028340	334135551	/nfs/dbraw/zinc/13/55/51/334135551.db2.gz	WPNWGSWRGPYXIC-LLVKDONJSA-N	-1	0	292.357	0.073	20	30		CCEDRM
C[C@H]1CCN(S(=O)(=O)CCCCC#N)[C@H]1C(=O)[O-]	ZINC000548575998	334162883	/nfs/dbraw/zinc/16/28/83/334162883.db2.gz	GEIQYIJDDYCTGO-VHSXEESVSA-N	-1	0	274.342	0.805	20	30		CCEDRM
C[C@@H](C#N)CN(C)S(=O)(=O)NCC(C)(C)C(=O)[O-]	ZINC000568002627	334783304	/nfs/dbraw/zinc/78/33/04/334783304.db2.gz	HQACEUPJEIALDO-QMMMGPOBSA-N	-1	0	277.346	0.023	20	30		CCEDRM
C=CCC[C@@H](NC(=O)NC[C@@H]1CCCO1)C(=O)[O-]	ZINC000316010293	334816042	/nfs/dbraw/zinc/81/60/42/334816042.db2.gz	IGGNIJHKCVTDME-VHSXEESVSA-N	-1	0	256.302	0.884	20	30		CCEDRM
C=CCOC[C@@H](NC(=O)NC[C@@H]1CCCOC1)C(=O)[O-]	ZINC000580691965	335331052	/nfs/dbraw/zinc/33/10/52/335331052.db2.gz	XYVHPQHQQNZISQ-WDEREUQCSA-N	-1	0	286.328	0.368	20	30		CCEDRM
CC#CCN(C)C(=O)C(=O)N1CC[C@@H](C)[C@H](C(=O)[O-])C1	ZINC000577610384	335377795	/nfs/dbraw/zinc/37/77/95/335377795.db2.gz	GQLWTOBQZKNPHC-GHMZBOCLSA-N	-1	0	280.324	0.037	20	30		CCEDRM
N#CC1(CS(=O)(=O)NC2(C(=O)[O-])CCCC2)CCC1	ZINC000581061050	336001904	/nfs/dbraw/zinc/00/19/04/336001904.db2.gz	CHRBDBNWMODFMM-UHFFFAOYSA-N	-1	0	286.353	0.997	20	30		CCEDRM
CCN(C[C@@H](C)C#N)S(=O)(=O)N[C@H]1C[C@H](C(=O)[O-])C1	ZINC000581551988	336101582	/nfs/dbraw/zinc/10/15/82/336101582.db2.gz	GZKPZEVDVQTSQB-GUBZILKMSA-N	-1	0	289.357	0.166	20	30		CCEDRM
CC(=O)N1CCC[C@@H]1C(=O)N=c1[n-]n(C(C)C)cc1C#N	ZINC000361913225	534765756	/nfs/dbraw/zinc/76/57/56/534765756.db2.gz	IEZWPEBWSMCXPM-GFCCVEGCSA-N	-1	0	289.339	0.707	20	30		CCEDRM
Cn1cccc(N/C([O-])=N/[C@@H]2C=C[C@H](CO)C2)c1=O	ZINC000330098222	534778525	/nfs/dbraw/zinc/77/85/25/534778525.db2.gz	YZUJXNCXJLEFTM-VHSXEESVSA-N	-1	0	263.297	0.648	20	30		CCEDRM
C[C@H](C(=O)[O-])N(C)S(=O)(=O)Cc1ccc(C#N)cc1	ZINC000054053338	526180706	/nfs/dbraw/zinc/18/07/06/526180706.db2.gz	CGMNMDRLJXKYGI-SECBINFHSA-N	-1	0	282.321	0.793	20	30		CCEDRM
CC(C)(C#N)CNC(=O)N=c1nc2ccccn2[n-]1	ZINC000350784889	527477019	/nfs/dbraw/zinc/47/70/19/527477019.db2.gz	HOLZWPBZAVLZEQ-UHFFFAOYSA-N	-1	0	258.285	0.822	20	30		CCEDRM
C=CCn1cc(C(=O)N[C@H](C(=O)[O-])C2CCOCC2)nn1	ZINC000668305239	545172216	/nfs/dbraw/zinc/17/22/16/545172216.db2.gz	IBVOGSQDLQLTTP-NSHDSACASA-N	-1	0	294.311	0.074	20	30		CCEDRM
C=CCCO[C@H](C)C(=O)N[C@@H](C(=O)[O-])C1CCOCC1	ZINC000668308970	545172600	/nfs/dbraw/zinc/17/26/00/545172600.db2.gz	PSAVTGWFSRUJAN-ZYHUDNBSSA-N	-1	0	285.340	0.964	20	30		CCEDRM
COC(=O)c1ccc(NCCc2n[n-]c(=N)o2)c(C#N)n1	ZINC000516980831	536784994	/nfs/dbraw/zinc/78/49/94/536784994.db2.gz	DPMIYYXPAATYHI-UHFFFAOYSA-N	-1	0	288.267	0.190	20	30		CCEDRM
COc1cc(C#N)ccc1S(=O)(=O)N[C@H](C)C(=O)[O-]	ZINC000362121455	536885606	/nfs/dbraw/zinc/88/56/06/536885606.db2.gz	BEHLCYRLPUWIGQ-SSDOTTSWSA-N	-1	0	284.293	0.318	20	30		CCEDRM
C=CC[C@H](NS(=O)(=O)N1CCC[C@H]1C)C(=O)[O-]	ZINC000681558704	545456243	/nfs/dbraw/zinc/45/62/43/545456243.db2.gz	VRTUNYPAGDFIEL-BDAKNGLRSA-N	-1	0	262.331	0.334	20	30		CCEDRM
C=CCCO[C@@H](C)C(=O)[N-]S(=O)(=O)C[C@@H]1CCCO1	ZINC000781515072	581135150	/nfs/dbraw/zinc/13/51/50/581135150.db2.gz	RARLTZQNSJUEJN-QWRGUYRKSA-N	-1	0	291.369	0.593	20	30		CCEDRM
COCCO[N-]C(=O)C(=O)Nc1cccc(C#N)c1	ZINC000789826607	581158363	/nfs/dbraw/zinc/15/83/63/581158363.db2.gz	YBIFSQAGLRTAKS-UHFFFAOYSA-N	-1	0	263.253	0.191	20	30		CCEDRM
O=C([O-])Cn1cc(C=NN[C@H](CO)c2ccccc2)nn1	ZINC000788467301	581112679	/nfs/dbraw/zinc/11/26/79/581112679.db2.gz	AGWJCDSLIGIEHI-GFCCVEGCSA-N	-1	0	289.295	0.020	20	30		CCEDRM
CC(C)S(=O)(=O)NN=Cc1ccc(O)c(C(=O)[O-])c1	ZINC000777433412	581115278	/nfs/dbraw/zinc/11/52/78/581115278.db2.gz	DEVLNQJTTMQOET-UHFFFAOYSA-N	-1	0	286.309	0.752	20	30		CCEDRM
N#CCOc1ccc(CNC(=O)[C@H]2C[C@H]2C(=O)[O-])cc1	ZINC000739087634	581175429	/nfs/dbraw/zinc/17/54/29/581175429.db2.gz	LJXLSJLWHOYKIC-NWDGAFQWSA-N	-1	0	274.276	0.926	20	30		CCEDRM
C[C@H](CCNC(=O)c1ccc(C#N)nc1)NC(=O)[O-]	ZINC000738908847	581180365	/nfs/dbraw/zinc/18/03/65/581180365.db2.gz	YGMYLMICSKPBIF-MRVPVSSYSA-N	-1	0	262.269	0.729	20	30		CCEDRM
C=CCS(=O)(=O)[N-]C(=O)[C@@H]1CSCCS1	ZINC000780462946	581229456	/nfs/dbraw/zinc/22/94/56/581229456.db2.gz	DHEIUKBWKJGOCB-ZETCQYMHSA-N	-1	0	267.397	0.467	20	30		CCEDRM
COCCNC(=O)C(C#N)=C([O-])c1cnn(C)c1SC	ZINC000791770675	581233512	/nfs/dbraw/zinc/23/35/12/581233512.db2.gz	DBPXKOOFOXPKRL-QMMMGPOBSA-N	-1	0	296.352	0.227	20	30		CCEDRM
C=CCS(=O)(=O)[N-]C(=O)CCOCC(F)F	ZINC000791853051	581236792	/nfs/dbraw/zinc/23/67/92/581236792.db2.gz	OFCHAEUKDFPRAD-UHFFFAOYSA-N	-1	0	257.258	0.290	20	30		CCEDRM
C=CCS(=O)(=O)[N-]C(=O)Cc1c(CC)nn(C)c1CC	ZINC000791854111	581237254	/nfs/dbraw/zinc/23/72/54/581237254.db2.gz	ZATVGQSJQDHSOW-UHFFFAOYSA-N	-1	0	299.396	0.719	20	30		CCEDRM
COc1ccc(OC)c(CC(=O)N(CC#N)CC(=O)[O-])c1	ZINC000738047320	581246740	/nfs/dbraw/zinc/24/67/40/581246740.db2.gz	CSSZBKAZPXUEOD-UHFFFAOYSA-N	-1	0	292.291	0.683	20	30		CCEDRM
C=CCOCCCC(=O)[N-]S(=O)(=O)C[C@@H]1CCCO1	ZINC000781510159	581270941	/nfs/dbraw/zinc/27/09/41/581270941.db2.gz	HYWHLNAPRLIHOR-NSHDSACASA-N	-1	0	291.369	0.594	20	30		CCEDRM
C#CCCCCCC(=O)[N-]S(=O)(=O)c1cnnn1C	ZINC000781730511	581275721	/nfs/dbraw/zinc/27/57/21/581275721.db2.gz	ZZJOZQUDGCCVMQ-UHFFFAOYSA-N	-1	0	284.341	0.204	20	30		CCEDRM
Cc1ocnc1C(=O)[N-]S(=O)(=O)CC1(C#N)CC1	ZINC000793194580	581287772	/nfs/dbraw/zinc/28/77/72/581287772.db2.gz	QHBCYVIKHHABNL-UHFFFAOYSA-N	-1	0	269.282	0.346	20	30		CCEDRM
CC#CCCCC(=O)[N-]S(=O)(=O)CC1(C#N)CC1	ZINC000793194257	581287821	/nfs/dbraw/zinc/28/78/21/581287821.db2.gz	HHORBMCMFOCTHO-UHFFFAOYSA-N	-1	0	268.338	0.930	20	30		CCEDRM
C[C@H]1C(=O)CC[C@@H]1CC(=O)[N-]S(=O)(=O)CC1(C#N)CC1	ZINC000793195427	581287841	/nfs/dbraw/zinc/28/78/41/581287841.db2.gz	LWMQQYMKIYUFFL-NXEZZACHSA-N	-1	0	298.364	0.741	20	30		CCEDRM
Cc1nnc(N2CC[C@H](NC(=O)[O-])C2)c(C#N)c1C	ZINC000740253971	581313599	/nfs/dbraw/zinc/31/35/99/581313599.db2.gz	WWPBVBVFIUKXEM-VIFPVBQESA-N	-1	0	261.285	0.811	20	30		CCEDRM
C#CCCN1CCN(C(=O)[C@H]2CSCN2C(=O)[O-])CC1	ZINC000738457283	581331501	/nfs/dbraw/zinc/33/15/01/581331501.db2.gz	LRIDKFDQAJDREP-LLVKDONJSA-N	-1	0	297.380	0.207	20	30		CCEDRM
C#CCCN1CCN(C(=O)[C@H]2CCC[C@H]2NC(=O)[O-])CC1	ZINC000738457722	581331913	/nfs/dbraw/zinc/33/19/13/581331913.db2.gz	VHXOMFBNTSPLMQ-QWHCGFSZSA-N	-1	0	293.367	0.590	20	30		CCEDRM
C#CCCNC(=O)C(C)(C)N1CCN(C(=O)[O-])CC1	ZINC000738457877	581332158	/nfs/dbraw/zinc/33/21/58/581332158.db2.gz	ZJVORGPXOUBOKW-UHFFFAOYSA-N	-1	0	267.329	0.200	20	30		CCEDRM
C#CCN1CCC[C@H]1C(=O)N[C@H](CNC(=O)[O-])C1CC1	ZINC000738461596	581334030	/nfs/dbraw/zinc/33/40/30/581334030.db2.gz	UUWKGQULWNWQTJ-NEPJUHHUSA-N	-1	0	279.340	0.246	20	30		CCEDRM
C=C[C@@](C)(CCOC)C(=O)[N-]S(=O)(=O)[C@@H]1CCOC1	ZINC000783100206	581335805	/nfs/dbraw/zinc/33/58/05/581335805.db2.gz	USJUPBZGWSYMIH-PWSUYJOCSA-N	-1	0	291.369	0.450	20	30		CCEDRM
C#CCSCCNC(=O)N(C)CCCNC(=O)[O-]	ZINC000738471299	581344730	/nfs/dbraw/zinc/34/47/30/581344730.db2.gz	XWKYSRXJPCAAJP-UHFFFAOYSA-N	-1	0	273.358	0.652	20	30		CCEDRM
CC(C)(O)C(=O)OCc1cc(=O)n2[n-]cc(C#N)c2n1	ZINC000783344457	581345320	/nfs/dbraw/zinc/34/53/20/581345320.db2.gz	OLGNEUFKDIZGEJ-UHFFFAOYSA-N	-1	0	276.252	0.121	20	30		CCEDRM
C#CCOCCNC(=O)[C@H]1CC=CC[C@@H]1C(=O)[O-]	ZINC000783686048	581356066	/nfs/dbraw/zinc/35/60/66/581356066.db2.gz	VSXLXZPHJKHTIU-QWRGUYRKSA-N	-1	0	251.282	0.419	20	30		CCEDRM
C=CC[NH+]1CCC(NC(=O)[C@H]2CSCN2C(=O)[O-])CC1	ZINC000738491545	581360948	/nfs/dbraw/zinc/36/09/48/581360948.db2.gz	KFWVVESAITZLFG-LLVKDONJSA-N	-1	0	299.396	0.806	20	30		CCEDRM
C=CCNC(=O)NC(=O)[C@H](C)N1CCN(C(=O)[O-])[C@@H](C)C1	ZINC000738494324	581361424	/nfs/dbraw/zinc/36/14/24/581361424.db2.gz	AJZIAMBQPVAUSZ-UWVGGRQHSA-N	-1	0	298.343	0.071	20	30		CCEDRM
COCCNC(=O)C(C#N)=C([O-])c1cscn1	ZINC000728766693	581369758	/nfs/dbraw/zinc/36/97/58/581369758.db2.gz	GHSWIZRJJRSJTP-SSDOTTSWSA-N	-1	0	253.283	0.228	20	30		CCEDRM
N#CCc1cccc(S(=O)(=O)N(CC(=O)[O-])C2CC2)c1	ZINC000794905360	581390445	/nfs/dbraw/zinc/39/04/45/581390445.db2.gz	CFGALJXASSMBDP-UHFFFAOYSA-N	-1	0	294.332	0.990	20	30		CCEDRM
CC1(C(=O)OCc2cc(=O)n3[n-]cc(C#N)c3n2)COC1	ZINC000784644651	581391374	/nfs/dbraw/zinc/39/13/74/581391374.db2.gz	XRMASGBSLVGINE-UHFFFAOYSA-N	-1	0	288.263	0.386	20	30		CCEDRM
CC[C@H](C)S(=O)(=O)[N-]C(=O)c1ccc(C#N)nc1	ZINC000785081995	581401214	/nfs/dbraw/zinc/40/12/14/581401214.db2.gz	MQJVNLGVZUHODY-QMMMGPOBSA-N	-1	0	267.310	0.811	20	30		CCEDRM
C=CCNC(=O)c1ccc(NC(=O)C(=O)[N-]OCC)cc1	ZINC000785359262	581406404	/nfs/dbraw/zinc/40/64/04/581406404.db2.gz	YXGQWCLOQZHHFO-UHFFFAOYSA-N	-1	0	291.307	0.609	20	30		CCEDRM
CC(C)(C#N)CC(=O)[N-]S(=O)(=O)c1cccnc1	ZINC000786270690	581435703	/nfs/dbraw/zinc/43/57/03/581435703.db2.gz	GSHVBPUVGRUXNE-UHFFFAOYSA-N	-1	0	267.310	0.826	20	30		CCEDRM
N#Cc1ccc(C(=O)[N-]S(=O)(=O)CCCF)o1	ZINC000796954362	581455921	/nfs/dbraw/zinc/45/59/21/581455921.db2.gz	VBPZRDNVOYRARE-UHFFFAOYSA-N	-1	0	260.246	0.570	20	30		CCEDRM
C=CCC(C)(C)C(=O)[N-]S(=O)(=O)c1ccnn1C	ZINC000797083885	581459176	/nfs/dbraw/zinc/45/91/76/581459176.db2.gz	PZPCIBMLPXCCFQ-UHFFFAOYSA-N	-1	0	271.342	0.827	20	30		CCEDRM
N#Cc1ccc(C(=O)[N-]S(=O)(=O)C2CCC2)o1	ZINC000797170957	581460902	/nfs/dbraw/zinc/46/09/02/581460902.db2.gz	QVFUHHHJMMNEDP-UHFFFAOYSA-N	-1	0	254.267	0.763	20	30		CCEDRM
N#CCCNC(=O)CSc1n[n-]c(=S)s1	ZINC000787620358	581473851	/nfs/dbraw/zinc/47/38/51/581473851.db2.gz	SGJYTVFJFZTADA-UHFFFAOYSA-N	-1	0	260.369	0.949	20	30		CCEDRM
C[C@@H]1CN(C(=O)CSCC#N)CC[C@H]1NC(=O)[O-]	ZINC000739138942	581511130	/nfs/dbraw/zinc/51/11/30/581511130.db2.gz	SDSCKRSFDUXRAU-RKDXNWHRSA-N	-1	0	271.342	0.748	20	30		CCEDRM
N#CCc1cccc(C(=O)[N-]S(=O)(=O)[C@@H]2CCOC2)c1	ZINC000733724145	581521952	/nfs/dbraw/zinc/52/19/52/581521952.db2.gz	PWFQQOZZGUQONY-GFCCVEGCSA-N	-1	0	294.332	0.601	20	30		CCEDRM
C=CCS(=O)(=O)[N-]C(=O)c1cncc(COC)c1	ZINC000765607453	581529766	/nfs/dbraw/zinc/52/97/66/581529766.db2.gz	AJWDTKTZEGDAGN-UHFFFAOYSA-N	-1	0	270.310	0.474	20	30		CCEDRM
CC(C)[C@H](CNC(=O)N1CCO[C@@H](C#N)C1)NC(=O)[O-]	ZINC000738782909	581541347	/nfs/dbraw/zinc/54/13/47/581541347.db2.gz	GGOHQVVCIUXUSX-UWVGGRQHSA-N	-1	0	284.316	0.213	20	30		CCEDRM
CCN(CC(=O)OCC(=O)N[C@@](C)(C#N)C1CC1)C(=O)[O-]	ZINC000739397705	581547151	/nfs/dbraw/zinc/54/71/51/581547151.db2.gz	CCISMQKZZGKSNH-ZDUSSCGKSA-N	-1	0	297.311	0.338	20	30		CCEDRM
Cn1cc(CCC(=O)[N-]S(=O)(=O)CC2(C#N)CC2)cn1	ZINC000753944610	581566251	/nfs/dbraw/zinc/56/62/51/581566251.db2.gz	AXEWZOPJKCCEOS-UHFFFAOYSA-N	-1	0	296.352	0.102	20	30		CCEDRM
CCCCCCCCC(=O)[N-]S(=O)(=O)CC(N)=O	ZINC000766924558	581587287	/nfs/dbraw/zinc/58/72/87/581587287.db2.gz	VNNRSAXVSNOYMJ-UHFFFAOYSA-N	-1	0	278.374	0.668	20	30		CCEDRM
CN(CC1CCN(CC(=O)NCCC#N)CC1)C(=O)[O-]	ZINC000739661884	581588502	/nfs/dbraw/zinc/58/85/02/581588502.db2.gz	UMGOJQURQBEPDY-UHFFFAOYSA-N	-1	0	282.344	0.338	20	30		CCEDRM
C=CCOCC(=O)[N-]S(=O)(=O)c1cccc(OC)c1	ZINC000729893967	581619403	/nfs/dbraw/zinc/61/94/03/581619403.db2.gz	LPRCAPZFHMPSIF-UHFFFAOYSA-N	-1	0	285.321	0.703	20	30		CCEDRM
COCCN(CC(=O)Nc1ccn(CCC#N)n1)C(=O)[O-]	ZINC000739822143	581625283	/nfs/dbraw/zinc/62/52/83/581625283.db2.gz	AJSORRPPAZBBPH-UHFFFAOYSA-N	-1	0	295.299	0.362	20	30		CCEDRM
COCCN(CCC#N)C(=O)CC(C)(C)NC(=O)[O-]	ZINC000739828983	581625790	/nfs/dbraw/zinc/62/57/90/581625790.db2.gz	NRBBCRSCDDANTH-UHFFFAOYSA-N	-1	0	271.317	0.811	20	30		CCEDRM
Cn1cc(C=Nn2c(=S)[n-]nc2C(F)(F)F)nn1	ZINC000755510659	581643206	/nfs/dbraw/zinc/64/32/06/581643206.db2.gz	KLLRPRWGUHWZMC-UHFFFAOYSA-N	-1	0	277.235	0.596	20	30		CCEDRM
N#Cc1ccc([O-])c(NC(=O)CSCC(N)=O)c1	ZINC000768184055	581646998	/nfs/dbraw/zinc/64/69/98/581646998.db2.gz	BBLFUVKCZIBHEU-UHFFFAOYSA-N	-1	0	265.294	0.421	20	30		CCEDRM
N#CCCCCNC(=O)N1CC[C@@H](NC(=O)[O-])C1	ZINC000740306666	581662923	/nfs/dbraw/zinc/66/29/23/581662923.db2.gz	IFCWBCRVESVCAW-SECBINFHSA-N	-1	0	254.290	0.732	20	30		CCEDRM
N#C[C@H]1CN(C(=O)CC2CCN(C(=O)[O-])CC2)CCO1	ZINC000740309114	581663434	/nfs/dbraw/zinc/66/34/34/581663434.db2.gz	DKZIIWCXWAGWCM-NSHDSACASA-N	-1	0	281.312	0.517	20	30		CCEDRM
N#CCCCCS(=O)(=O)N[C@@H]1CCN(C(=O)[O-])C1	ZINC000740307613	581663519	/nfs/dbraw/zinc/66/35/19/581663519.db2.gz	SCTTVEJROCIXOC-SECBINFHSA-N	-1	0	275.330	0.352	20	30		CCEDRM
N#CCn1cc(NC(=O)[C@H]2CCN(C(=O)[O-])C2)cn1	ZINC000740310567	581664000	/nfs/dbraw/zinc/66/40/00/581664000.db2.gz	INVAQWNDDQNWRK-QMMMGPOBSA-N	-1	0	263.257	0.345	20	30		CCEDRM
N#C[C@@H]1CN(C(=O)[C@@H]2CCC[C@@H](NC(=O)[O-])C2)CCO1	ZINC000740309668	581664013	/nfs/dbraw/zinc/66/40/13/581664013.db2.gz	LHLXVALHKAYLKC-GMTAPVOTSA-N	-1	0	281.312	0.564	20	30		CCEDRM
N#Cc1ccc(CCC(=O)NC2CN(C(=O)[O-])C2)cc1	ZINC000740312326	581664398	/nfs/dbraw/zinc/66/43/98/581664398.db2.gz	FIPIGSIAWPZOSJ-UHFFFAOYSA-N	-1	0	273.292	0.969	20	30		CCEDRM
N#Cc1cnn(CCOC(=O)[C@H]2CCCN2C(=O)[O-])c1N	ZINC000740322351	581665261	/nfs/dbraw/zinc/66/52/61/581665261.db2.gz	CBJBGXQYGDLKDR-SECBINFHSA-N	-1	0	293.283	0.023	20	30		CCEDRM
N#Cc1cccc(OCC(=O)N[C@@H]2CCN(C(=O)[O-])C2)c1	ZINC000740324010	581665945	/nfs/dbraw/zinc/66/59/45/581665945.db2.gz	VXNVMHWINOEAFZ-LLVKDONJSA-N	-1	0	289.291	0.806	20	30		CCEDRM
O=C([O-])N1C[C@@H](O)C[C@H]1C(=O)NCC#Cc1ccccc1	ZINC000740403533	581677066	/nfs/dbraw/zinc/67/70/66/581677066.db2.gz	CSSIGBDZQPSLBK-STQMWFEESA-N	-1	0	288.303	0.268	20	30		CCEDRM
C#CCNC(=O)[C@@H](C)OC(=O)CCCN(C)C(=O)[O-]	ZINC000736079770	581687305	/nfs/dbraw/zinc/68/73/05/581687305.db2.gz	NNOKWOOAIAOFBL-SECBINFHSA-N	-1	0	270.285	0.058	20	30		CCEDRM
C#CCNC(=O)Cc1[nH]c(C(C)=O)c(C)c1C(=O)[O-]	ZINC000736075673	581694659	/nfs/dbraw/zinc/69/46/59/581694659.db2.gz	AOTJVWPXFIUKPI-UHFFFAOYSA-N	-1	0	262.265	0.516	20	30		CCEDRM
C#CCNC(=O)CN[C@@](CC)(C(=O)[O-])c1ccccc1	ZINC000736077178	581694728	/nfs/dbraw/zinc/69/47/28/581694728.db2.gz	ZHVLJNZVAIGXGV-OAHLLOKOSA-N	-1	0	274.320	0.716	20	30		CCEDRM
C#CCCNC(=O)C(=O)Nc1cccc(OCC(=O)[O-])c1	ZINC000736077217	581695309	/nfs/dbraw/zinc/69/53/09/581695309.db2.gz	PJKOYJYBKLBJJZ-UHFFFAOYSA-N	-1	0	290.275	0.228	20	30		CCEDRM
C#CCN(CC)C(=O)C(=O)Nc1ccc(C(=O)[O-])cc1F	ZINC000736077854	581695317	/nfs/dbraw/zinc/69/53/17/581695317.db2.gz	YMGJCVPLRYXYLQ-UHFFFAOYSA-N	-1	0	292.266	0.944	20	30		CCEDRM
C=CCCO[C@H](C)C(=O)Nc1n[nH]c(CC(=O)[O-])n1	ZINC000736102579	581696381	/nfs/dbraw/zinc/69/63/81/581696381.db2.gz	QNNLTYGRRCBNMK-SSDOTTSWSA-N	-1	0	268.273	0.352	20	30		CCEDRM
C=CCN(CC(=O)OCC)C(=O)[C@H]1C[C@H]1C(=O)[O-]	ZINC000736108002	581697389	/nfs/dbraw/zinc/69/73/89/581697389.db2.gz	FZKMDWAGAYMJDX-DTWKUNHWSA-N	-1	0	255.270	0.285	20	30		CCEDRM
C=CCCOCC(=O)N[C@@H]1CCCN(C(=O)[O-])C1	ZINC000736108528	581698712	/nfs/dbraw/zinc/69/87/12/581698712.db2.gz	XQWQGXFGENWOQO-SNVBAGLBSA-N	-1	0	256.302	0.838	20	30		CCEDRM
C=CCOc1cccc(NC(=O)C(=O)NCCC(=O)[O-])c1	ZINC000736114585	581703622	/nfs/dbraw/zinc/70/36/22/581703622.db2.gz	YBKKUVSTWJVLBT-UHFFFAOYSA-N	-1	0	292.291	0.781	20	30		CCEDRM
CC(C)[C@@](C)(C#N)NC(=O)[C@@H](C)N1CCO[C@H](C(=O)[O-])C1	ZINC000736212485	581716869	/nfs/dbraw/zinc/71/68/69/581716869.db2.gz	SPGQEAJWBIYSQR-UHIISALHSA-N	-1	0	297.355	0.215	20	30		CCEDRM
C#CCN1CCN(C(=O)c2cc([O-])cc([N+](=O)[O-])c2)CC1	ZINC000770415854	581742379	/nfs/dbraw/zinc/74/23/79/581742379.db2.gz	GVPGXVIKQMFCFB-UHFFFAOYSA-N	-1	0	289.291	0.691	20	30		CCEDRM
Cc1cnc([N-]S(=O)(=O)c2ccc(C#N)nc2)nc1	ZINC000758424026	581745271	/nfs/dbraw/zinc/74/52/71/581745271.db2.gz	DGQHSHSIWBUEPX-UHFFFAOYSA-N	-1	0	275.293	0.853	20	30		CCEDRM
CC(C)[C@H](C#N)N1CCN(C(=O)[C@@H]2C[C@@H]2C(=O)[O-])CC1	ZINC000736346860	581745981	/nfs/dbraw/zinc/74/59/81/581745981.db2.gz	AMUXKSWGYFQGAB-WOPDTQHZSA-N	-1	0	279.340	0.399	20	30		CCEDRM
CC(C)[C@@H](NC(=O)[O-])C(=O)Nc1cnn(CC#N)c1	ZINC000736379322	581755778	/nfs/dbraw/zinc/75/57/78/581755778.db2.gz	CNVIHALFVZPURQ-SECBINFHSA-N	-1	0	265.273	0.637	20	30		CCEDRM
O=C1CNC(=O)N1N=Cc1cc([N+](=O)[O-])ccc1[O-]	ZINC000770616315	581756444	/nfs/dbraw/zinc/75/64/44/581756444.db2.gz	XYNOIMRBDSVIGJ-UHFFFAOYSA-N	-1	0	264.197	0.186	20	30		CCEDRM
COc1cc(C=NNCC(N)=O)cc(Cl)c1O	ZINC000758890031	581773315	/nfs/dbraw/zinc/77/33/15/581773315.db2.gz	RNQIQPPPSYQVMB-UHFFFAOYSA-N	-1	0	257.677	0.463	20	30		CCEDRM
NC(=O)CNN=Cc1cccc(Br)c1O	ZINC000758891843	581773647	/nfs/dbraw/zinc/77/36/47/581773647.db2.gz	CULPUQXJYHWNLX-UHFFFAOYSA-N	-1	0	272.102	0.564	20	30		CCEDRM
CO[C@H](C(=O)[N-]S(=O)(=O)CC(C)(C)C#N)C(C)C	ZINC000770908331	581777270	/nfs/dbraw/zinc/77/72/70/581777270.db2.gz	GQVUAMDUNKKJLS-VIFPVBQESA-N	-1	0	276.358	0.653	20	30		CCEDRM
O=C([O-])Cn1cc(/C=C2\Oc3ccccc3C2=O)nn1	ZINC000759085642	581782517	/nfs/dbraw/zinc/78/25/17/581782517.db2.gz	WEJBNQDSWQIUCN-WZUFQYTHSA-N	-1	0	271.232	0.979	20	30		CCEDRM
C#CCOc1ccc(NC(=O)c2cc(=O)[nH][n-]2)cc1	ZINC000732290580	581818680	/nfs/dbraw/zinc/81/86/80/581818680.db2.gz	STRDZFSOLJXXGS-UHFFFAOYSA-N	-1	0	257.249	0.513	20	30		CCEDRM
C#CCOc1cc(F)ccc1NC(=O)c1cc(=O)[nH][n-]1	ZINC000743640683	581819900	/nfs/dbraw/zinc/81/99/00/581819900.db2.gz	SHCDFLRQMIEMOH-UHFFFAOYSA-N	-1	0	275.239	0.652	20	30		CCEDRM
CCc1nn(CCCC#N)c(=O)c(-c2nnn[n-]2)c1CC	ZINC000736705978	581822497	/nfs/dbraw/zinc/82/24/97/581822497.db2.gz	RFWBHCIKJXSUCK-UHFFFAOYSA-N	-1	0	287.327	0.852	20	30		CCEDRM
CNC(=O)c1cccc(C([O-])=C(C#N)C(=O)NC(C)C)c1	ZINC000744033482	581830530	/nfs/dbraw/zinc/83/05/30/581830530.db2.gz	RQPSNFVMKJDWPF-LBPRGKRZSA-N	-1	0	287.319	0.893	20	30		CCEDRM
C=CCCO[C@H](C)C(=O)[N-]S(=O)(=O)CCOCC	ZINC000732508670	581832285	/nfs/dbraw/zinc/83/22/85/581832285.db2.gz	QWMSTSOJQORXLN-SNVBAGLBSA-N	-1	0	279.358	0.450	20	30		CCEDRM
C=CCS(=O)(=O)[N-]C(=O)[C@H](C)OC[C@@H]1CCCCO1	ZINC000772713353	581842795	/nfs/dbraw/zinc/84/27/95/581842795.db2.gz	NXLHUTDMKZHQKW-QWRGUYRKSA-N	-1	0	291.369	0.593	20	30		CCEDRM
CC[C@@H](C)[C@H](NC(=O)COC(=O)C1(C#N)CCC1)C(=O)[O-]	ZINC000736883534	581863462	/nfs/dbraw/zinc/86/34/62/581863462.db2.gz	JEHHTHYLRLBILU-KOLCDFICSA-N	-1	0	296.323	0.839	20	30		CCEDRM
C=CCS(=O)(=O)[N-]C(=O)c1ccc2[nH]c(=O)n(C)c2c1	ZINC000772712248	581885116	/nfs/dbraw/zinc/88/51/16/581885116.db2.gz	AOVFMZMCSSQABD-UHFFFAOYSA-N	-1	0	295.320	0.525	20	30		CCEDRM
C=CCS(=O)(=O)[N-]C(=O)c1cn(C)nc1C(C)C	ZINC000772716744	581886274	/nfs/dbraw/zinc/88/62/74/581886274.db2.gz	HANNMSGAFXEQLY-UHFFFAOYSA-N	-1	0	271.342	0.789	20	30		CCEDRM
CC(C)[C@H](Oc1ccccc1C#N)C(=O)[N-]OCC(N)=O	ZINC000772939180	581901297	/nfs/dbraw/zinc/90/12/97/581901297.db2.gz	NHICCMUHICTEIQ-ZDUSSCGKSA-N	-1	0	291.307	0.495	20	30		CCEDRM
COc1ccc(C(=O)N(CC#N)CC(=O)[O-])c(F)c1	ZINC000737921598	581922646	/nfs/dbraw/zinc/92/26/46/581922646.db2.gz	YWXZVGRBQZXSHW-UHFFFAOYSA-N	-1	0	266.228	0.885	20	30		CCEDRM
CCc1[nH]c(C(=O)N2CCO[C@@H](C#N)C2)c(C)c1C(=O)[O-]	ZINC000737243187	581926018	/nfs/dbraw/zinc/92/60/18/581926018.db2.gz	WOHQYYIWYVSKKR-VIFPVBQESA-N	-1	0	291.307	0.948	20	30		CCEDRM
C=CCN(CC(=O)[O-])C(=O)[C@H](C)OC[C@@H]1CCCO1	ZINC000762067110	581930120	/nfs/dbraw/zinc/93/01/20/581930120.db2.gz	IFCVNFXHFGQHHO-QWRGUYRKSA-N	-1	0	271.313	0.670	20	30		CCEDRM
C=CCCOCC(=O)[N-]S(=O)(=O)Cc1ccon1	ZINC000747183462	581934701	/nfs/dbraw/zinc/93/47/01/581934701.db2.gz	FRLHFBBAPSJQJX-UHFFFAOYSA-N	-1	0	274.298	0.213	20	30		CCEDRM
CN(CC#N)CCCN1C(=O)CS/C1=C\C(=O)[O-]	ZINC000737385863	581950426	/nfs/dbraw/zinc/95/04/26/581950426.db2.gz	GCFZYNCULFFRSS-YFHOEESVSA-N	-1	0	269.326	0.333	20	30		CCEDRM
CN(CC(=O)[O-])C(=O)c1ccc(-n2ncc(C#N)c2N)cc1	ZINC000737402340	581953291	/nfs/dbraw/zinc/95/32/91/581953291.db2.gz	NBWKAUUISYLLTF-UHFFFAOYSA-N	-1	0	299.290	0.483	20	30		CCEDRM
Cc1nc(-c2nnn[n-]2)c(N=NCc2ncc[nH]2)o1	ZINC000737466836	581962307	/nfs/dbraw/zinc/96/23/07/581962307.db2.gz	DTFMFZPOMGBNDK-UHFFFAOYSA-N	-1	0	259.233	0.332	20	30		CCEDRM
COc1ccc(CC(=O)N(CC#N)CC(=O)[O-])cc1OC	ZINC000737982670	582011547	/nfs/dbraw/zinc/01/15/47/582011547.db2.gz	MFLRABSIZDOPSG-UHFFFAOYSA-N	-1	0	292.291	0.683	20	30		CCEDRM
Cc1cn2ccnc(C([O-])=C(C#N)C(=O)N3CCCC3)c2n1	ZINC000763929657	582021027	/nfs/dbraw/zinc/02/10/27/582021027.db2.gz	JMWKSUCIECONNT-LLVKDONJSA-N	-1	0	297.318	0.983	20	30		CCEDRM
N#Cc1cc(NC(=O)NOCC(N)=O)ccc1F	ZINC000775520585	582027664	/nfs/dbraw/zinc/02/76/64/582027664.db2.gz	WGQWKJGYYDKDOJ-UHFFFAOYSA-N	-1	0	252.205	0.236	20	30		CCEDRM
C=CCS(=O)(=O)[N-]C(=O)[C@H]1CCc2n[nH]cc2C1	ZINC000764044671	582027935	/nfs/dbraw/zinc/02/79/35/582027935.db2.gz	OLXBPTMEZDHSGH-QMMMGPOBSA-N	-1	0	269.326	0.147	20	30		CCEDRM
CO[C@H](C)CS(=O)(=O)[N-]C(=O)c1cccc(C#N)c1	ZINC000764215036	582037299	/nfs/dbraw/zinc/03/72/99/582037299.db2.gz	CDRCWKOBOPGZSV-SECBINFHSA-N	-1	0	282.321	0.653	20	30		CCEDRM
CO[C@@H](C)CC(=O)[N-]S(=O)(=O)Cc1ccccc1C#N	ZINC000750385025	582042566	/nfs/dbraw/zinc/04/25/66/582042566.db2.gz	PBDRUGRVSRZEAK-JTQLQIEISA-N	-1	0	296.348	0.929	20	30		CCEDRM
Cc1cc(NC(=O)[C@H]2C[C@@H]2C(=O)[O-])n(CCC#N)n1	ZINC000738422077	582047775	/nfs/dbraw/zinc/04/77/75/582047775.db2.gz	KBOSWKBMTGSHLO-IUCAKERBSA-N	-1	0	262.269	0.764	20	30		CCEDRM
N#Cc1ccsc1C(=O)N1CCO[C@@H](C(=O)[O-])C1	ZINC000738434830	582049020	/nfs/dbraw/zinc/04/90/20/582049020.db2.gz	DPVFQUVWUJWQOA-MRVPVSSYSA-N	-1	0	266.278	0.545	20	30		CCEDRM
Cc1noc(C)c1CCC(=O)[N-]S(=O)(=O)CCCC#N	ZINC000776122152	582052883	/nfs/dbraw/zinc/05/28/83/582052883.db2.gz	MRSNIPYTZGDMHC-UHFFFAOYSA-N	-1	0	299.352	0.974	20	30		CCEDRM
COC(C)(C)C(=O)[N-]S(=O)(=O)CC(C)(C)C#N	ZINC000776138567	582053552	/nfs/dbraw/zinc/05/35/52/582053552.db2.gz	JPUYZBHFNCYJHZ-UHFFFAOYSA-N	-1	0	262.331	0.407	20	30		CCEDRM
C#CCOc1ccc(C(=O)NCCNC(=O)[O-])cc1	ZINC000738466874	582053744	/nfs/dbraw/zinc/05/37/44/582053744.db2.gz	HQPUTVDCBVZJFQ-UHFFFAOYSA-N	-1	0	262.265	0.696	20	30		CCEDRM
C#Cc1ccc(C(=O)N(C)[C@@H](C)CNC(=O)[O-])cn1	ZINC000738471322	582054388	/nfs/dbraw/zinc/05/43/88/582054388.db2.gz	YPEAFKOCDIYBEL-VIFPVBQESA-N	-1	0	261.281	0.791	20	30		CCEDRM
C=CCOCC(=O)[N-]S(=O)(=O)CC(C)(C)C#N	ZINC000776144863	582054497	/nfs/dbraw/zinc/05/44/97/582054497.db2.gz	WKCXTGHKGCNFOB-UHFFFAOYSA-N	-1	0	260.315	0.185	20	30		CCEDRM
C=CCOCC(=O)NCC[C@@H]1CCN(C(=O)[O-])C1	ZINC000738490940	582055316	/nfs/dbraw/zinc/05/53/16/582055316.db2.gz	FPVDLKNJAXSVNC-SNVBAGLBSA-N	-1	0	256.302	0.695	20	30		CCEDRM
C=C(Cl)CNC(=O)[C@@H]1CSCN1C(=O)[O-]	ZINC000738485600	582055597	/nfs/dbraw/zinc/05/55/97/582055597.db2.gz	MKUULIULRXXQEA-LURJTMIESA-N	-1	0	250.707	0.908	20	30		CCEDRM
Cc1ccc(C(=O)C(=O)N(CC#N)CC(=O)[O-])cc1	ZINC000738503514	582057061	/nfs/dbraw/zinc/05/70/61/582057061.db2.gz	QBDQLOHNYCZIDJ-UHFFFAOYSA-N	-1	0	260.249	0.615	20	30		CCEDRM
N#C[C@@H](CCc1ccccc1)C(=O)[N-]OCC(N)=O	ZINC000764647782	582060942	/nfs/dbraw/zinc/06/09/42/582060942.db2.gz	HJOCXVPHJIIYCR-LLVKDONJSA-N	-1	0	261.281	0.292	20	30		CCEDRM
N#C[C@H](CCc1ccccc1)C(=O)[N-]OCC(N)=O	ZINC000764647784	582061217	/nfs/dbraw/zinc/06/12/17/582061217.db2.gz	HJOCXVPHJIIYCR-NSHDSACASA-N	-1	0	261.281	0.292	20	30		CCEDRM
CN1C(=O)CN([N-]C(=O)c2ccc(C#N)s2)C1=O	ZINC000776246193	582063935	/nfs/dbraw/zinc/06/39/35/582063935.db2.gz	QVXBWEMQKSMNJF-UHFFFAOYSA-N	-1	0	264.266	0.159	20	30		CCEDRM
CC(C)(CCC(=O)N1CCO[C@H](C#N)C1)NC(=O)[O-]	ZINC000738743914	582070950	/nfs/dbraw/zinc/07/09/50/582070950.db2.gz	PNOLENRMCVDAGF-SECBINFHSA-N	-1	0	269.301	0.564	20	30		CCEDRM
CC(C)(CC(=O)[C@@H](C#N)C(=O)NC1CC1)NC(=O)[O-]	ZINC000738730842	582072400	/nfs/dbraw/zinc/07/24/00/582072400.db2.gz	PHBDIMILDDZCNH-MRVPVSSYSA-N	-1	0	267.285	0.410	20	30		CCEDRM
C[C@@H]1C[C@@H](C(=O)[N-]S(=O)(=O)CCCC#N)CCO1	ZINC000776560871	582077719	/nfs/dbraw/zinc/07/77/19/582077719.db2.gz	UCLZGMDEKLHWRC-ZJUUUORDSA-N	-1	0	274.342	0.551	20	30		CCEDRM
C=CCCS(=O)(=O)N[C@H](CC1CCOCC1)C(=O)[O-]	ZINC000776602978	582084472	/nfs/dbraw/zinc/08/44/72/582084472.db2.gz	UTHOULMGQADINS-LLVKDONJSA-N	-1	0	291.369	0.752	20	30		CCEDRM
Cc1nn(C)c(C)c1C[C@H](C)C(=O)N(CC#N)CC(=O)[O-]	ZINC000738909442	582087767	/nfs/dbraw/zinc/08/77/67/582087767.db2.gz	QMVFUQDBYQTNLR-VIFPVBQESA-N	-1	0	292.339	0.652	20	30		CCEDRM
C#CCN1CCC[C@H]1C(=O)N1CCC[C@@H](c2nnn[n-]2)C1	ZINC000765108936	582089687	/nfs/dbraw/zinc/08/96/87/582089687.db2.gz	GIDDFBHMGJXASF-NEPJUHHUSA-N	-1	0	288.355	0.003	20	30		CCEDRM
Cc1noc(C)c1CCC(=O)N(CC#N)CC(=O)[O-]	ZINC000738942956	582092357	/nfs/dbraw/zinc/09/23/57/582092357.db2.gz	JDFDTHLAQZXTGC-UHFFFAOYSA-N	-1	0	265.269	0.661	20	30		CCEDRM
CC(C)N(C)S(=O)(=O)[N-]C(=O)c1cc(C#N)cn1C	ZINC000751841147	582094051	/nfs/dbraw/zinc/09/40/51/582094051.db2.gz	YFPUHNYSWQQIRY-UHFFFAOYSA-N	-1	0	284.341	0.212	20	30		CCEDRM
N#CCCN(C(=O)Cn1cnc(C(=O)[O-])n1)c1ccccc1	ZINC000739073277	582100821	/nfs/dbraw/zinc/10/08/21/582100821.db2.gz	QZQBBCFMYFINKT-UHFFFAOYSA-N	-1	0	299.290	0.923	20	30		CCEDRM
N#CCN(CC(=O)[O-])C(=O)CCCn1ccccc1=O	ZINC000739076630	582101495	/nfs/dbraw/zinc/10/14/95/582101495.db2.gz	BCQKWSSJLBPOOD-UHFFFAOYSA-N	-1	0	277.280	0.065	20	30		CCEDRM
N#CCN(CC(=O)[O-])C(=O)[C@H]1CC1(Cl)Cl	ZINC000739077214	582101523	/nfs/dbraw/zinc/10/15/23/582101523.db2.gz	KNCYKLDHRZNXLT-RXMQYKEDSA-N	-1	0	251.069	0.617	20	30		CCEDRM
N#CCN(CC(=O)[O-])C(=O)Cc1ccc([N+](=O)[O-])cc1	ZINC000739078599	582101633	/nfs/dbraw/zinc/10/16/33/582101633.db2.gz	JWMNJVUFEBHMIS-UHFFFAOYSA-N	-1	0	277.236	0.574	20	30		CCEDRM
N#CCN(CC(=O)[O-])S(=O)(=O)c1ccc(Cl)nc1	ZINC000739086426	582101902	/nfs/dbraw/zinc/10/19/02/582101902.db2.gz	QKMSNCSKPZGDAL-UHFFFAOYSA-N	-1	0	289.700	0.334	20	30		CCEDRM
N#Cc1ccc(S(=O)(=O)[N-]C(=O)C2=CCOCC2)cc1	ZINC000768552308	582107882	/nfs/dbraw/zinc/10/78/82/582107882.db2.gz	RBOPUJUUIFHWJF-UHFFFAOYSA-N	-1	0	292.316	0.710	20	30		CCEDRM
CC[C@@H](O)CCCNC(=O)[C@](C)(C#N)CC(=O)[O-]	ZINC000820285091	615539635	/nfs/dbraw/zinc/53/96/35/615539635.db2.gz	PKBHJVIXYGUBJE-SKDRFNHKSA-N	-1	0	256.302	0.658	20	30		CCEDRM
N#Cc1cc(S(N)(=O)=O)ccc1NCCC(=O)[O-]	ZINC000819095584	597139719	/nfs/dbraw/zinc/13/97/19/597139719.db2.gz	AWDPDONJVNVNSF-UHFFFAOYSA-N	-1	0	269.282	0.092	20	30		CCEDRM
C[C@H](C(=O)[O-])N(C)CCS(=O)(=O)c1ccc(C#N)cc1	ZINC000163337796	597472695	/nfs/dbraw/zinc/47/26/95/597472695.db2.gz	NGYGADKYQMFATO-SNVBAGLBSA-N	-1	0	296.348	0.737	20	30		CCEDRM
N#Cc1ccc(NCC(=O)N2CC[C@H](C(=O)[O-])C2)cc1	ZINC000819100664	597501388	/nfs/dbraw/zinc/50/13/88/597501388.db2.gz	YIXWJMURVZXACO-NSHDSACASA-N	-1	0	273.292	0.903	20	30		CCEDRM
C#CCOCCNC(=O)NCC1(C(=O)[O-])CCCCC1	ZINC000833366422	612986812	/nfs/dbraw/zinc/98/68/12/612986812.db2.gz	WJYQZEQJPMFLEK-UHFFFAOYSA-N	-1	0	282.340	0.971	20	30		CCEDRM
C[C@H]1COCCCN1C(=O)[C@](C)(C#N)CC(=O)[O-]	ZINC000820251670	597603141	/nfs/dbraw/zinc/60/31/41/597603141.db2.gz	DBJDYAJWXGOSJZ-CABZTGNLSA-N	-1	0	254.286	0.628	20	30		CCEDRM
Cn1cc(COC(=O)[C@](C)(C#N)CC(=O)[O-])cn1	ZINC000821297737	597617815	/nfs/dbraw/zinc/61/78/15/597617815.db2.gz	GJACYBBMAGVXFC-NSHDSACASA-N	-1	0	251.242	0.468	20	30		CCEDRM
C[C@H]1CCCN(C(=O)COC(=O)[C@@](C)(C#N)CC(=O)[O-])C1	ZINC000820238496	597622391	/nfs/dbraw/zinc/62/23/91/597622391.db2.gz	QRCIFYUMRMTGFY-IINYFYTJSA-N	-1	0	296.323	0.793	20	30		CCEDRM
C[C@](C#N)(CC(=O)[O-])C(=O)OCC[C@H]1CCOC1=O	ZINC000819865428	597622833	/nfs/dbraw/zinc/62/28/33/597622833.db2.gz	LDEJUWQWWOTEJS-PRHODGIISA-N	-1	0	269.253	0.487	20	30		CCEDRM
C[C@](C#N)(CC(=O)[O-])C(=O)OCCC1OCCCO1	ZINC000819865876	597624792	/nfs/dbraw/zinc/62/47/92/597624792.db2.gz	PFMPHHMTPBMJGB-GFCCVEGCSA-N	-1	0	271.269	0.687	20	30		CCEDRM
C[C@H](Cn1cccn1)NC(=O)[C@](C)(C#N)CC(=O)[O-]	ZINC000820106897	597633332	/nfs/dbraw/zinc/63/33/32/597633332.db2.gz	BSGPUTPXHWPDHA-SKDRFNHKSA-N	-1	0	264.285	0.392	20	30		CCEDRM
C[C@@](C#N)(CC(=O)[O-])C(=O)NCCNc1cnccn1	ZINC000819842181	597637666	/nfs/dbraw/zinc/63/76/66/597637666.db2.gz	KXDMTSSTLSQAAS-LBPRGKRZSA-N	-1	0	277.284	0.009	20	30		CCEDRM
C[C@](C#N)(CC(=O)[O-])C(=O)NC[C@H](O)c1cccc(F)c1	ZINC000819833935	597639052	/nfs/dbraw/zinc/63/90/52/597639052.db2.gz	KOVNTVAAGCKZMU-SMDDNHRTSA-N	-1	0	294.282	0.980	20	30		CCEDRM
Cc1ccc([C@@H](O)CNC(=O)[C@@](C)(C#N)CC(=O)[O-])o1	ZINC000821069402	597650838	/nfs/dbraw/zinc/65/08/38/597650838.db2.gz	ABMIPXKMFZPFBC-TVQRCGJNSA-N	-1	0	280.280	0.742	20	30		CCEDRM
C[C@](C#N)(CC(=O)[O-])C(=O)N[C@@H]1CCc2c[nH]nc2C1	ZINC000819835764	597655304	/nfs/dbraw/zinc/65/53/04/597655304.db2.gz	XQWLLACEMHFDKA-NOZJJQNGSA-N	-1	0	276.296	0.388	20	30		CCEDRM
C[C@H](O)[C@@H]1CCCN(C(=O)[C@](C)(C#N)CC(=O)[O-])C1	ZINC000820154108	597658749	/nfs/dbraw/zinc/65/87/49/597658749.db2.gz	GHLVJNUGIYUBDN-CWSCBRNRSA-N	-1	0	268.313	0.610	20	30		CCEDRM
C[C@@](C#N)(CC(=O)[O-])C(=O)NC[C@H]1CCCn2ccnc21	ZINC000819836048	597658873	/nfs/dbraw/zinc/65/88/73/597658873.db2.gz	ZWOURKBEEGTJNG-YGRLFVJLSA-N	-1	0	290.323	0.881	20	30		CCEDRM
C[C@](C#N)(CC(=O)[O-])C(=O)N1CC[C@@H](CCO)C1	ZINC000819812162	597659283	/nfs/dbraw/zinc/65/92/83/597659283.db2.gz	YYZNBBRSLJTKAG-JOYOIKCWSA-N	-1	0	254.286	0.222	20	30		CCEDRM
N#Cc1ccc(NCC(=O)NCC(=O)[O-])c(Cl)c1	ZINC000062790381	597747784	/nfs/dbraw/zinc/74/77/84/597747784.db2.gz	XOLRBLJQGIOXAD-UHFFFAOYSA-N	-1	0	267.672	0.824	20	30		CCEDRM
N#CC1(C(=O)OCC(=O)NCC(=O)[O-])CCCCC1	ZINC000821320376	597838207	/nfs/dbraw/zinc/83/82/07/597838207.db2.gz	NBSXTLJGTNTTHC-UHFFFAOYSA-N	-1	0	268.269	0.204	20	30		CCEDRM
Cc1cc(NC(=O)NCC(=O)[O-])nn1CCC#N	ZINC000821029385	598198531	/nfs/dbraw/zinc/19/85/31/598198531.db2.gz	PXVOPJGTXNOLIB-UHFFFAOYSA-N	-1	0	251.246	0.311	20	30		CCEDRM
Cc1onc(CC(=O)NCCCC(=O)[O-])c1C#N	ZINC000821257928	598220525	/nfs/dbraw/zinc/22/05/25/598220525.db2.gz	YADPXOIXYVYCGJ-UHFFFAOYSA-N	-1	0	251.242	0.378	20	30		CCEDRM
C[C@](C#N)(CC(=O)[O-])C(=O)NCC(=O)NC1CCCC1	ZINC000819832819	598225441	/nfs/dbraw/zinc/22/54/41/598225441.db2.gz	DEZIIVXVANUNDK-CYBMUJFWSA-N	-1	0	281.312	0.166	20	30		CCEDRM
C[C@](C#N)(CC(=O)[O-])C(=O)N1CCN(C2CC2)[C@H](C#N)C1	ZINC000819821220	598227354	/nfs/dbraw/zinc/22/73/54/598227354.db2.gz	DNYYXCSHMYDWLE-BXUZGUMPSA-N	-1	0	290.323	0.190	20	30		CCEDRM
Cc1nn(C)cc1[C@H](C)NC(=O)[C@](C)(C#N)CC(=O)[O-]	ZINC000821209376	598227589	/nfs/dbraw/zinc/22/75/89/598227589.db2.gz	UUBNPGMEBMKOKZ-SDBXPKJASA-N	-1	0	278.312	0.910	20	30		CCEDRM
C[C@@H]1OCCN(C(=O)[C@](C)(C#N)CC(=O)[O-])[C@H]1C	ZINC000820256832	598230696	/nfs/dbraw/zinc/23/06/96/598230696.db2.gz	LBEYRRXNRVCOBV-AUTRQRHGSA-N	-1	0	254.286	0.627	20	30		CCEDRM
N#Cc1nc(NC(=O)[C@H]2CCCS2)[n-]c1-c1nn[nH]n1	ZINC000822815662	599315175	/nfs/dbraw/zinc/31/51/75/599315175.db2.gz	VXEGWGXMMPLLTI-ZCFIWIBFSA-N	-1	0	290.312	0.296	20	30		CCEDRM
C=C1CCN(CC(=O)N2CCC(C(=O)[O-])CC2)CC1	ZINC000382476269	599856452	/nfs/dbraw/zinc/85/64/52/599856452.db2.gz	ISKXABLNCNAZQV-UHFFFAOYSA-N	-1	0	266.341	0.962	20	30		CCEDRM
N#Cc1ccc(OCCN2CCO[C@H](C(=O)[O-])C2)cc1	ZINC000043704701	599977974	/nfs/dbraw/zinc/97/79/74/599977974.db2.gz	GLAHSACQWQXWMU-ZDUSSCGKSA-N	-1	0	276.292	0.722	20	30		CCEDRM
C#CCSCC(=O)N1CCC(c2nnn[n-]2)CC1	ZINC000913746198	613009685	/nfs/dbraw/zinc/00/96/85/613009685.db2.gz	WNPIHPDOKCIRHS-UHFFFAOYSA-N	-1	0	265.342	0.272	20	30		CCEDRM
C=CCNS(=O)(=O)Cc1cccc(C(=O)[O-])c1	ZINC000036983963	600218951	/nfs/dbraw/zinc/21/89/51/600218951.db2.gz	QBJISJMRZLLHQI-UHFFFAOYSA-N	-1	0	255.295	0.990	20	30		CCEDRM
C#CCCNS(=O)(=O)c1ccc(C(=O)[O-])c(C)c1	ZINC000385412863	600748119	/nfs/dbraw/zinc/74/81/19/600748119.db2.gz	STUHFJURPXTNED-UHFFFAOYSA-N	-1	0	267.306	0.995	20	30		CCEDRM
N#CCN(CC(=O)[O-])C(=O)CCC1CCOCC1	ZINC000833066269	600891455	/nfs/dbraw/zinc/89/14/55/600891455.db2.gz	RMQXBHYVOJYKCV-UHFFFAOYSA-N	-1	0	254.286	0.630	20	30		CCEDRM
C#CCN1CCN(C(=O)[C@@H]2CCC[C@H](C(=O)[O-])C2)CC1	ZINC000312264611	600948907	/nfs/dbraw/zinc/94/89/07/600948907.db2.gz	HOYKRJAUCXJRSM-OLZOCXBDSA-N	-1	0	278.352	0.655	20	30		CCEDRM
Cn1cc(-c2nc(CN(CC#N)CC(=O)[O-])cs2)cn1	ZINC000833041733	601004276	/nfs/dbraw/zinc/00/42/76/601004276.db2.gz	VKNRKXLWXMOUAA-UHFFFAOYSA-N	-1	0	291.336	0.954	20	30		CCEDRM
N#CCN(CC(=O)[O-])CC(=O)Nc1cc(F)cc(F)c1	ZINC000833066916	601226852	/nfs/dbraw/zinc/22/68/52/601226852.db2.gz	LNRGBZHRRFGVMV-UHFFFAOYSA-N	-1	0	283.234	0.813	20	30		CCEDRM
C#CCCNS(=O)(=O)c1ccc(F)c(C(=O)[O-])c1F	ZINC000070246298	601235632	/nfs/dbraw/zinc/23/56/32/601235632.db2.gz	AAIDRJICHFHSCF-UHFFFAOYSA-N	-1	0	289.259	0.965	20	30		CCEDRM
Cn1cc(C#N)cc1C(=O)Nc1ccn(CC(=O)[O-])n1	ZINC000833040980	601263843	/nfs/dbraw/zinc/26/38/43/601263843.db2.gz	UQYKPEHFCYMLDL-UHFFFAOYSA-N	-1	0	273.252	0.430	20	30		CCEDRM
Cn1cc(C#N)cc1C(=O)N[C@@H](C(=O)[O-])c1ccccn1	ZINC000833041109	601269442	/nfs/dbraw/zinc/26/94/42/601269442.db2.gz	XUTOZDUGGSSGRS-GFCCVEGCSA-N	-1	0	284.275	0.847	20	30		CCEDRM
Cn1cc(C#N)cc1C(=O)N[C@H](C(=O)[O-])c1ccccn1	ZINC000833041111	601269593	/nfs/dbraw/zinc/26/95/93/601269593.db2.gz	XUTOZDUGGSSGRS-LBPRGKRZSA-N	-1	0	284.275	0.847	20	30		CCEDRM
O=C([O-])c1ccc(C=Nn2c(=S)[nH][nH]c2=S)[nH]1	ZINC000833312629	601337592	/nfs/dbraw/zinc/33/75/92/601337592.db2.gz	FQAMNHWVXMRJRA-UHFFFAOYSA-N	-1	0	269.311	0.764	20	30		CCEDRM
Cc1nn(CCC(=O)[O-])c(C)c1C=NN[C@H](C)CO	ZINC000833015551	601378584	/nfs/dbraw/zinc/37/85/84/601378584.db2.gz	HRDWMULKVOCIMX-MRVPVSSYSA-N	-1	0	268.317	0.279	20	30		CCEDRM
N#CCNC(=O)CN1C[C@@H](C2CCCCC2)C[C@H]1C(=O)[O-]	ZINC000833066614	601434091	/nfs/dbraw/zinc/43/40/91/601434091.db2.gz	CUILAGVRNSHIBH-STQMWFEESA-N	-1	0	293.367	0.982	20	30		CCEDRM
N#CCC[C@H](C#N)CN1CCO[C@@H](CC(=O)[O-])C1	ZINC000833063190	601457981	/nfs/dbraw/zinc/45/79/81/601457981.db2.gz	UAJGNSXDCUUIGD-MNOVXSKESA-N	-1	0	251.286	0.605	20	30		CCEDRM
C=C(C)CN(CC)C(=O)CN1CCO[C@@H](CC(=O)[O-])C1	ZINC000091296277	601459288	/nfs/dbraw/zinc/45/92/88/601459288.db2.gz	NHICHXLZAXLTBQ-LBPRGKRZSA-N	-1	0	284.356	0.587	20	30		CCEDRM
N#CC1(C(=O)N[C@H](CC(=O)[O-])C2CC2)CCOCC1	ZINC000833064767	601540591	/nfs/dbraw/zinc/54/05/91/601540591.db2.gz	NHEQDZKYVKKYNM-SNVBAGLBSA-N	-1	0	266.297	0.676	20	30		CCEDRM
CN(CCC#N)CC(=O)N1CCC(C(=O)[O-])CC1	ZINC000054262608	601561401	/nfs/dbraw/zinc/56/14/01/601561401.db2.gz	SWOJTOFRYMSACD-UHFFFAOYSA-N	-1	0	253.302	0.155	20	30		CCEDRM
C[C@H]1CN(S(=O)(=O)c2ccccc2C#N)C[C@H]1C(=O)[O-]	ZINC000251679943	601590413	/nfs/dbraw/zinc/59/04/13/601590413.db2.gz	HTRKRIYRSQLYSQ-GXSJLCMTSA-N	-1	0	294.332	0.899	20	30		CCEDRM
C#CCSCCNC(=O)N1C[C@H](C)[C@H](C(=O)[O-])C1	ZINC000231960261	601663862	/nfs/dbraw/zinc/66/38/62/601663862.db2.gz	QESCHLFWZODRTD-VHSXEESVSA-N	-1	0	270.354	0.715	20	30		CCEDRM
C#CCCCCNS(=O)(=O)c1c[nH]c(C(=O)[O-])c1	ZINC000229622999	602122368	/nfs/dbraw/zinc/12/23/68/602122368.db2.gz	WNZWITHZJKHENC-UHFFFAOYSA-N	-1	0	270.310	0.795	20	30		CCEDRM
C#CCSCCNS(=O)(=O)CC1(CC(=O)[O-])CC1	ZINC000825636885	613018099	/nfs/dbraw/zinc/01/80/99/613018099.db2.gz	WKJFDLOGYIXFFD-UHFFFAOYSA-N	-1	0	291.394	0.527	20	30		CCEDRM
COc1cc(C=Nn2c(=O)[n-][nH]c2=O)ccc1OCC#N	ZINC000814231974	617179576	/nfs/dbraw/zinc/17/95/76/617179576.db2.gz	SEGYDIIPAHUEEI-UHFFFAOYSA-N	-1	0	289.251	0.482	20	30		CCEDRM
COc1cc(C=Nn2c(=O)[n-][nH]c2=O)cc2c1OCO2	ZINC000814232624	617179596	/nfs/dbraw/zinc/17/95/96/617179596.db2.gz	FYECNZJDVXPRKE-UHFFFAOYSA-N	-1	0	278.224	0.309	20	30		CCEDRM
COc1cc(C=Nn2c(=O)[n-][nH]c2=O)cc(Cl)c1O	ZINC000814233473	617179690	/nfs/dbraw/zinc/17/96/90/617179690.db2.gz	RKGQCDSVSWXFSE-UHFFFAOYSA-N	-1	0	284.659	0.939	20	30		CCEDRM
C[C@@H]1CN(c2nccnc2C#N)CC[C@@H]1NC(=O)[O-]	ZINC000739195287	603403506	/nfs/dbraw/zinc/40/35/06/603403506.db2.gz	BZYXPFCLQQXYPU-BDAKNGLRSA-N	-1	0	261.285	0.831	20	30		CCEDRM
N#C[C@@H]1CN(C(=O)[O-])CCN1C(=O)C1CCCC1	ZINC000831077040	603592410	/nfs/dbraw/zinc/59/24/10/603592410.db2.gz	VUCUEXWVFRWEAN-SNVBAGLBSA-N	-1	0	251.286	0.891	20	30		CCEDRM
Cc1ccoc1C(=O)N1CCN(C(=O)[O-])C[C@H]1C#N	ZINC000830617241	603598239	/nfs/dbraw/zinc/59/82/39/603598239.db2.gz	ZVHLGAWHJMKYFJ-SECBINFHSA-N	-1	0	263.253	0.916	20	30		CCEDRM
C[C@H]1CN(C(=O)[O-])CCN1C(=O)c1cc(C#N)c[nH]1	ZINC000826026794	603890172	/nfs/dbraw/zinc/89/01/72/603890172.db2.gz	OAWOTBJGCWMSTE-QMMMGPOBSA-N	-1	0	262.269	0.711	20	30		CCEDRM
N#CCNC(=O)CN1CCN(C(=O)[O-])CC12CCCCC2	ZINC000831102843	603914643	/nfs/dbraw/zinc/91/46/43/603914643.db2.gz	WIYDPXNYVAUPTP-UHFFFAOYSA-N	-1	0	294.355	0.625	20	30		CCEDRM
N#C[C@@H]1CN(C(=O)[O-])CCN1C(=O)C[C@H]1CCCCO1	ZINC000831082571	604222347	/nfs/dbraw/zinc/22/23/47/604222347.db2.gz	OBWOYRFQVLMRGB-GHMZBOCLSA-N	-1	0	281.312	0.660	20	30		CCEDRM
N#Cc1cccc(CC(=O)N2CCN(C(=O)[O-])CC2)c1	ZINC000831146174	604246546	/nfs/dbraw/zinc/24/65/46/604246546.db2.gz	JWBUIGQIQZNUDE-UHFFFAOYSA-N	-1	0	273.292	0.923	20	30		CCEDRM
N#CCc1ccnc(NC(=O)[C@H]2CN(C(=O)[O-])CCO2)c1	ZINC000831109248	604309193	/nfs/dbraw/zinc/30/91/93/604309193.db2.gz	DFEJOERAZZSIMK-SNVBAGLBSA-N	-1	0	290.279	0.465	20	30		CCEDRM
N#Cc1ccnc(NCCNC(=O)[O-])c1[N+](=O)[O-]	ZINC000831156825	604441851	/nfs/dbraw/zinc/44/18/51/604441851.db2.gz	LXFWKOYRPYIXIF-UHFFFAOYSA-N	-1	0	251.202	0.541	20	30		CCEDRM
CC#CCn1nc(C2CCN(C(=O)[O-])CC2)n(CC)c1=O	ZINC000823521979	604775416	/nfs/dbraw/zinc/77/54/16/604775416.db2.gz	OMNUEDJQKFUKFV-UHFFFAOYSA-N	-1	0	292.339	0.945	20	30		CCEDRM
C#CC[C@@H](NC(=O)[C@@H](C)OCCOCC)C(=O)[O-]	ZINC000910053400	613040526	/nfs/dbraw/zinc/04/05/26/613040526.db2.gz	SXZZYXXULCUQDV-NXEZZACHSA-N	-1	0	257.286	0.021	20	30		CCEDRM
C[C@@H](C#N)CNC(=O)C[C@@H]1CN(C(=O)[O-])CCO1	ZINC000823648868	604874568	/nfs/dbraw/zinc/87/45/68/604874568.db2.gz	YGRUMNCYNNZQON-DTWKUNHWSA-N	-1	0	255.274	0.031	20	30		CCEDRM
C#Cc1cccc(N(CC)CC(=O)NCC(=O)[O-])c1	ZINC000819706070	604947159	/nfs/dbraw/zinc/94/71/59/604947159.db2.gz	LZROQXFMQKIQNB-UHFFFAOYSA-N	-1	0	260.293	0.695	20	30		CCEDRM
C#CC[C@@H](NS(=O)(=O)c1ccccc1[O-])C(=O)OC	ZINC000849398603	613043008	/nfs/dbraw/zinc/04/30/08/613043008.db2.gz	YYGJEVPHNYSMTK-SECBINFHSA-N	-1	0	283.305	0.235	20	30		CCEDRM
C#CCCCOC(=O)C[C@@H]1CN(C(=O)[O-])CCO1	ZINC000823444029	605063519	/nfs/dbraw/zinc/06/35/19/605063519.db2.gz	BJBGFRXLCLPONI-SNVBAGLBSA-N	-1	0	255.270	0.712	20	30		CCEDRM
Cc1cc(=O)[nH]c(NN=Cc2cccn2CC(=O)[O-])n1	ZINC000833747313	605096647	/nfs/dbraw/zinc/09/66/47/605096647.db2.gz	VUCOYFFLGXRLLV-UHFFFAOYSA-N	-1	0	275.268	0.823	20	30		CCEDRM
N#Cc1cnn(C(=O)CO[C@@H]2CCCN(C(=O)[O-])C2)c1N	ZINC000831161874	605279808	/nfs/dbraw/zinc/27/98/08/605279808.db2.gz	OUHJXIQLKYCMIW-SECBINFHSA-N	-1	0	293.283	0.136	20	30		CCEDRM
C[C@H](C#N)COC(=O)C[C@H]1CN(C(=O)[O-])CCO1	ZINC000823646458	605284937	/nfs/dbraw/zinc/28/49/37/605284937.db2.gz	CFYPULDTSTWHRJ-BDAKNGLRSA-N	-1	0	256.258	0.458	20	30		CCEDRM
N#CCCCNC(=O)C[C@H]1CSCCN1C(=O)[O-]	ZINC000833969089	605351066	/nfs/dbraw/zinc/35/10/66/605351066.db2.gz	QITJLFYULYAPCD-VIFPVBQESA-N	-1	0	271.342	0.892	20	30		CCEDRM
N#Cc1ccc(N2CCC[C@@H](CNC(=O)[O-])C2)nn1	ZINC000833975068	605407239	/nfs/dbraw/zinc/40/72/39/605407239.db2.gz	ZMZSPTVDOXOQFS-VIFPVBQESA-N	-1	0	261.285	0.832	20	30		CCEDRM
N#C[C@@H](C(=O)CC[C@@H]1CCCN1C(=O)[O-])C(=O)NC1CC1	ZINC000833962258	605488889	/nfs/dbraw/zinc/48/88/89/605488889.db2.gz	YEZQZXTUOPPFEU-QWRGUYRKSA-N	-1	0	293.323	0.896	20	30		CCEDRM
C[C@H](C#N)NC(=O)C[C@@H]1CSCCN1C(=O)[O-]	ZINC000823647415	605636483	/nfs/dbraw/zinc/63/64/83/605636483.db2.gz	KZMSNSNYFQPYRQ-HTQZYQBOSA-N	-1	0	257.315	0.500	20	30		CCEDRM
Cc1onc(CC(=O)N[C@@H](CNC(=O)[O-])C2CC2)c1C#N	ZINC000833936579	605693338	/nfs/dbraw/zinc/69/33/38/605693338.db2.gz	MVMPNXABRDRRCH-NSHDSACASA-N	-1	0	292.295	0.560	20	30		CCEDRM
Cc1onc(CC(=O)NCC[C@H](C)NC(=O)[O-])c1C#N	ZINC000833937000	605695287	/nfs/dbraw/zinc/69/52/87/605695287.db2.gz	TUJBJJOAVRCDIQ-ZETCQYMHSA-N	-1	0	280.284	0.560	20	30		CCEDRM
N#Cc1cccc(S(=O)(=O)NCC2CN(C(=O)[O-])C2)c1	ZINC000833975797	605726405	/nfs/dbraw/zinc/72/64/05/605726405.db2.gz	GHZVNUOSZYCNRB-UHFFFAOYSA-N	-1	0	295.320	0.446	20	30		CCEDRM
N#CCSCC(=O)OC1CCN(C(=O)[O-])CC1	ZINC000833968131	605733934	/nfs/dbraw/zinc/73/39/34/605733934.db2.gz	PMCVVOLFSNRULB-UHFFFAOYSA-N	-1	0	258.299	0.929	20	30		CCEDRM
C[C@@](O)(CC(=O)N(CC#N)CC(=O)[O-])c1ccccc1	ZINC000833525178	605756135	/nfs/dbraw/zinc/75/61/35/605756135.db2.gz	NIARLFIOOZYBAG-CQSZACIVSA-N	-1	0	276.292	0.721	20	30		CCEDRM
N#CC1(COC(=O)[C@H]2CCN(C(=O)[O-])C2)CCOCC1	ZINC000833964511	605781409	/nfs/dbraw/zinc/78/14/09/605781409.db2.gz	JGHMMYQTPWRRKA-JTQLQIEISA-N	-1	0	282.296	0.850	20	30		CCEDRM
N#CCCCS(=O)(=O)NC[C@@H](NC(=O)[O-])C1CC1	ZINC000833965352	605803416	/nfs/dbraw/zinc/80/34/16/605803416.db2.gz	KEUKBSMGOUDYGF-SECBINFHSA-N	-1	0	275.330	0.256	20	30		CCEDRM
C[C@H](OC(=O)c1cc(C(=O)[O-])no1)C(=O)N(C)CCC#N	ZINC000833532888	605827286	/nfs/dbraw/zinc/82/72/86/605827286.db2.gz	KQKPDAMYLMSGLB-ZETCQYMHSA-N	-1	0	295.251	0.290	20	30		CCEDRM
N#Cc1ccc(C(=O)NC[C@@H](NC(=O)[O-])C2CC2)[nH]1	ZINC000833973053	605912459	/nfs/dbraw/zinc/91/24/59/605912459.db2.gz	JHZOOJWVPXFGFR-SNVBAGLBSA-N	-1	0	262.269	0.662	20	30		CCEDRM
N#CCC1CCN(C(=O)CCOC2CN(C(=O)[O-])C2)CC1	ZINC000833969068	605932476	/nfs/dbraw/zinc/93/24/76/605932476.db2.gz	PQPVDUQDWOTXGF-UHFFFAOYSA-N	-1	0	295.339	0.908	20	30		CCEDRM
N#C[C@H]1CSCCN1C(=O)C[C@@H]1CN(C(=O)[O-])CCO1	ZINC000833966241	605975245	/nfs/dbraw/zinc/97/52/45/605975245.db2.gz	ISINJFQWOFVMRX-VHSXEESVSA-N	-1	0	299.352	0.223	20	30		CCEDRM
N#C[C@@H](C(=O)CN(C(=O)[O-])C1CC1)C(=O)NC1CC1	ZINC000833960404	605981808	/nfs/dbraw/zinc/98/18/08/605981808.db2.gz	IQVHKSCRNIFRDI-VIFPVBQESA-N	-1	0	265.269	0.116	20	30		CCEDRM
N#CC1(COC(=O)C[C@H]2CN(C(=O)[O-])CCO2)CC1	ZINC000833964927	606001613	/nfs/dbraw/zinc/00/16/13/606001613.db2.gz	URKWYCQXZBEQQD-VIFPVBQESA-N	-1	0	268.269	0.602	20	30		CCEDRM
C#CCCS(=O)(=O)[N-]C(=O)C[C@H]1CCC(=O)[C@@H]1C	ZINC000810784847	613052897	/nfs/dbraw/zinc/05/28/97/613052897.db2.gz	PWEGIIGJHDQUDA-NXEZZACHSA-N	-1	0	271.338	0.461	20	30		CCEDRM
C#CCCS(=O)(=O)[N-]C(=O)[C@@H](CCC)OCC	ZINC000860722250	613052899	/nfs/dbraw/zinc/05/28/99/613052899.db2.gz	VPMDWVXUFPRQOR-SNVBAGLBSA-N	-1	0	261.343	0.661	20	30		CCEDRM
C#CCCS(=O)(=O)[N-]C(=O)C[C@@H](OCC)C(C)C	ZINC000810779458	613052917	/nfs/dbraw/zinc/05/29/17/613052917.db2.gz	NJIQNORKUVFPLG-LLVKDONJSA-N	-1	0	275.370	0.907	20	30		CCEDRM
C#CCCS(=O)(=O)[N-]C(=O)Cc1ccc(F)c(F)c1	ZINC000798203271	613052926	/nfs/dbraw/zinc/05/29/26/613052926.db2.gz	WOXUGARJZOJADF-UHFFFAOYSA-N	-1	0	287.287	0.977	20	30		CCEDRM
C#CCCS(=O)(=O)[N-]C(=O)COCc1ccccc1C	ZINC000857022580	613052712	/nfs/dbraw/zinc/05/27/12/613052712.db2.gz	FGVFQYASXAMXNN-UHFFFAOYSA-N	-1	0	295.360	0.981	20	30		CCEDRM
C#CCCS(=O)(=O)[N-]C(=O)[C@@H]1CC[C@@H](CC)O1	ZINC000810782251	613053166	/nfs/dbraw/zinc/05/31/66/613053166.db2.gz	JMCNELMJRKHGAY-ZJUUUORDSA-N	-1	0	259.327	0.413	20	30		CCEDRM
C#CCC[C@@H](O)CNC(=O)c1cc([N+](=O)[O-])ccc1[O-]	ZINC000799077747	613058652	/nfs/dbraw/zinc/05/86/52/613058652.db2.gz	OZMLOFBNKTYNAY-SNVBAGLBSA-N	-1	0	278.264	0.805	20	30		CCEDRM
C#CCC[C@H](O)CNS(=O)(=O)c1cc([O-])cc(F)c1	ZINC000867227281	613064352	/nfs/dbraw/zinc/06/43/52/613064352.db2.gz	ZKNWTSJGPNGBSP-JTQLQIEISA-N	-1	0	287.312	0.584	20	30		CCEDRM
C#CCN(CC#CC)C(=O)NCC1(C(=O)[O-])CCOCC1	ZINC000831063308	613099738	/nfs/dbraw/zinc/09/97/38/613099738.db2.gz	XURRASPRVRGDNT-UHFFFAOYSA-N	-1	0	292.335	0.536	20	30		CCEDRM
C#CCN(CC)C(=O)C[C@@H]1CN(C(=O)[O-])CCO1	ZINC000823450468	613105497	/nfs/dbraw/zinc/10/54/97/613105497.db2.gz	BWHDRFPRSXOSTD-SNVBAGLBSA-N	-1	0	254.286	0.237	20	30		CCEDRM
C=CCS(=O)(=O)[N-]C(=O)[C@@H](OC)C1CCCC1	ZINC000850913046	613886172	/nfs/dbraw/zinc/88/61/72/613886172.db2.gz	KOTLXFHEIKRVQU-JTQLQIEISA-N	-1	0	261.343	0.824	20	30		CCEDRM
CC(C)CS(=O)(=O)[N-]C(=O)c1cccc(C#N)n1	ZINC000810561304	614178461	/nfs/dbraw/zinc/17/84/61/614178461.db2.gz	VMEVNCUSDNPMKF-UHFFFAOYSA-N	-1	0	267.310	0.669	20	30		CCEDRM
C#CCCCCC(=O)N[C@]1(CC(=O)[O-])CCOC1	ZINC000909697287	612976087	/nfs/dbraw/zinc/97/60/87/612976087.db2.gz	GLFCRNWIWYADAK-ZDUSSCGKSA-N	-1	0	253.298	0.930	20	30		CCEDRM
C[C@@H](C#N)C(=O)N(CCC(=O)[O-])C1CCOCC1	ZINC000825966642	617287122	/nfs/dbraw/zinc/28/71/22/617287122.db2.gz	ITROICJAQFYJOL-VIFPVBQESA-N	-1	0	254.286	0.628	20	30		CCEDRM
CSc1[n-]c(=O)c(C(=O)O[C@H]2CNOC2)cc1C#N	ZINC000848061364	617283526	/nfs/dbraw/zinc/28/35/26/617283526.db2.gz	PKAUJXCRBGWWAZ-ZETCQYMHSA-N	-1	0	281.293	0.441	20	30		CCEDRM
COc1cccc(C(=O)[N-]S(=O)(=O)CCC#N)c1C	ZINC000851016379	617292433	/nfs/dbraw/zinc/29/24/33/617292433.db2.gz	SILNLJUEDOCVEV-UHFFFAOYSA-N	-1	0	282.321	0.977	20	30		CCEDRM
C#CCC1(NC(=O)CCCn2c(=O)[n-][nH]c2=O)CCC1	ZINC000886802220	612968611	/nfs/dbraw/zinc/96/86/11/612968611.db2.gz	BGRIKLQYUMHFLM-UHFFFAOYSA-N	-1	0	278.312	0.532	20	30		CCEDRM
C#CCCCCCC(=O)[N-]S(=O)(=O)Cc1cnn(C)c1	ZINC000847849144	612976313	/nfs/dbraw/zinc/97/63/13/612976313.db2.gz	TWFNCTHQYZDSHJ-UHFFFAOYSA-N	-1	0	297.380	0.950	20	30		CCEDRM
C#CCOCCC(=O)N(C)[C@H](COC(C)C)C(=O)[O-]	ZINC000833364046	612977479	/nfs/dbraw/zinc/97/74/79/612977479.db2.gz	IBJVFRTVRPLGHN-LLVKDONJSA-N	-1	0	271.313	0.363	20	30		CCEDRM
C#CCCCCNC(=O)[C@H]1COCCN1C(=O)[O-]	ZINC000823440883	612978240	/nfs/dbraw/zinc/97/82/40/612978240.db2.gz	LQGKWPIYROWLMN-SNVBAGLBSA-N	-1	0	254.286	0.285	20	30		CCEDRM
C#CCOCCC(=O)NC1CCN(C(=O)[O-])CC1	ZINC000833364493	612979098	/nfs/dbraw/zinc/97/90/98/612979098.db2.gz	SIFUOGMRJPEHFD-UHFFFAOYSA-N	-1	0	254.286	0.285	20	30		CCEDRM
C#CCCCNC(=O)N1CCC[C@@H](NC(=O)[O-])C1	ZINC000823443993	612981549	/nfs/dbraw/zinc/98/15/49/612981549.db2.gz	AGURAYSSJBYLGW-SNVBAGLBSA-N	-1	0	253.302	0.841	20	30		CCEDRM
C#CCOCCNC(=O)Nc1cccc(-c2nn[nH]n2)c1	ZINC000823856164	612988194	/nfs/dbraw/zinc/98/81/94/612988194.db2.gz	LJNGTQHRLZZGJF-UHFFFAOYSA-N	-1	0	286.295	0.638	20	30		CCEDRM
C#CCO[N-]C(=O)[C@@H](C)NC(=O)C1CCCCC1	ZINC000855602998	612992381	/nfs/dbraw/zinc/99/23/81/612992381.db2.gz	IPGSORPRIZNWCP-SNVBAGLBSA-N	-1	0	252.314	0.752	20	30		CCEDRM
C#CCO[N-]C(=O)Cc1c(Br)cnn1C	ZINC000880080051	612992406	/nfs/dbraw/zinc/99/24/06/612992406.db2.gz	YUCANPKIIWIZGP-UHFFFAOYSA-N	-1	0	272.102	0.406	20	30		CCEDRM
C#CCO[N-]C(=O)[C@H]1CC(c2cccc(OC)c2)=NO1	ZINC000812783167	612992869	/nfs/dbraw/zinc/99/28/69/612992869.db2.gz	BSVMHODXPFYDPE-CYBMUJFWSA-N	-1	0	274.276	0.869	20	30		CCEDRM
C#CCO[N-]C(=O)[C@H]1CN(C(C)=O)c2ccccc2O1	ZINC000812782563	612993116	/nfs/dbraw/zinc/99/31/16/612993116.db2.gz	YDPQAMVATANXNJ-CYBMUJFWSA-N	-1	0	274.276	0.482	20	30		CCEDRM
C#CCO[C@@H](C)C(=O)N1CCCCC[C@H]1C(=O)[O-]	ZINC000910044225	612994366	/nfs/dbraw/zinc/99/43/66/612994366.db2.gz	IYDCAPRMMFHWLQ-QWRGUYRKSA-N	-1	0	253.298	0.881	20	30		CCEDRM
C#CCO[C@@H](C)C(=O)N[C@@H](CC(=C)Cl)C(=O)[O-]	ZINC000910269476	612997087	/nfs/dbraw/zinc/99/70/87/612997087.db2.gz	BQJBMRGSVIRTKX-IUCAKERBSA-N	-1	0	259.689	0.737	20	30		CCEDRM
C#CCO[C@H](C)C(=O)N1CC[C@@H](C)C[C@H]1C(=O)[O-]	ZINC000909777573	613000104	/nfs/dbraw/zinc/00/01/04/613000104.db2.gz	HUZFMBXCFDSLGN-MXWKQRLJSA-N	-1	0	253.298	0.736	20	30		CCEDRM
C#CCOc1ccc(CNC(=O)CCc2nnn[n-]2)cc1	ZINC000868723105	613005818	/nfs/dbraw/zinc/00/58/18/613005818.db2.gz	UBZYZICILFLKLX-UHFFFAOYSA-N	-1	0	285.307	0.461	20	30		CCEDRM
C#CCOc1ccc(F)cc1NC(=O)C(=O)[N-]OCC	ZINC000134739076	613006437	/nfs/dbraw/zinc/00/64/37/613006437.db2.gz	HUAZFMPWUZAQSH-UHFFFAOYSA-N	-1	0	280.255	0.844	20	30		CCEDRM
C#CCOc1ccc(NC(=O)NC[C@](C)(O)C(=O)[O-])cc1	ZINC000841836050	613007272	/nfs/dbraw/zinc/00/72/72/613007272.db2.gz	PSOZIWUSJTVXHZ-AWEZNQCLSA-N	-1	0	292.291	0.656	20	30		CCEDRM
C#CC[C@@H](NC(=O)CC1(O)CCCCC1)C(=O)[O-]	ZINC000910050332	613039535	/nfs/dbraw/zinc/03/95/35/613039535.db2.gz	IAZRAPDXSYEWGO-SNVBAGLBSA-N	-1	0	253.298	0.664	20	30		CCEDRM
C#CC[C@@H](NC(=O)C1CCC(OCCOC)CC1)C(=O)[O-]	ZINC000910046411	613039605	/nfs/dbraw/zinc/03/96/05/613039605.db2.gz	OMSLAHYFVNHVQC-WXRRBKDZSA-N	-1	0	297.351	0.801	20	30		CCEDRM
C#CC[C@@H](NC(=O)CCOC1CCOCC1)C(=O)[O-]	ZINC000910045988	613039843	/nfs/dbraw/zinc/03/98/43/613039843.db2.gz	JBSPLZJLTFKVDH-LLVKDONJSA-N	-1	0	269.297	0.165	20	30		CCEDRM
C#CC[C@@H](NC(=O)C[C@H](OCC)C(=C)C)C(=O)[O-]	ZINC000910048822	613040028	/nfs/dbraw/zinc/04/00/28/613040028.db2.gz	PGQYYKUTKLEEEY-MNOVXSKESA-N	-1	0	253.298	0.950	20	30		CCEDRM
C#CC[C@@H](NC(=O)[C@H]1CCc2cnc(C)n2C1)C(=O)[O-]	ZINC000910049572	613041188	/nfs/dbraw/zinc/04/11/88/613041188.db2.gz	XYFRKZJMEWNOTG-CMPLNLGQSA-N	-1	0	275.308	0.347	20	30		CCEDRM
C#CC[C@@H](NC(=O)c1cc(C(F)(F)F)nn1C)C(=O)[O-]	ZINC000910049113	613041522	/nfs/dbraw/zinc/04/15/22/613041522.db2.gz	SQZLPFPLMJDPEN-ZCFIWIBFSA-N	-1	0	289.213	0.645	20	30		CCEDRM
C#CC[C@@H](NC(=O)c1ccc(CO)cc1OC)C(=O)[O-]	ZINC000910050528	613041789	/nfs/dbraw/zinc/04/17/89/613041789.db2.gz	KHODMDVJCLPRFO-LLVKDONJSA-N	-1	0	277.276	0.394	20	30		CCEDRM
C#CC[C@@H](NC(=O)c1cn(C(C)C)nc1C)C(=O)[O-]	ZINC000910045776	613042226	/nfs/dbraw/zinc/04/22/26/613042226.db2.gz	GZBKDDINXKRKNJ-LLVKDONJSA-N	-1	0	263.297	0.979	20	30		CCEDRM
C#CC[C@@H](NC(=O)c1cn(CCOC)nc1C)C(=O)[O-]	ZINC000910047971	613042279	/nfs/dbraw/zinc/04/22/79/613042279.db2.gz	BBUIGFHXWXXRCG-LLVKDONJSA-N	-1	0	279.296	0.044	20	30		CCEDRM
C#CC[C@@H](NC(=O)c1nnn(C(C)C)c1C)C(=O)[O-]	ZINC000910051104	613042459	/nfs/dbraw/zinc/04/24/59/613042459.db2.gz	SGIDPDIGUZYQLM-SECBINFHSA-N	-1	0	264.285	0.374	20	30		CCEDRM
C#CCCNC(=O)N1CCC[C@@H]1CN(C)C(=O)[O-]	ZINC000823444701	613047155	/nfs/dbraw/zinc/04/71/55/613047155.db2.gz	OWUDYGWKWNRUPR-SNVBAGLBSA-N	-1	0	253.302	0.794	20	30		CCEDRM
C#CCCS(=O)(=O)[N-]C(=O)[C@@H](C)C(=O)OC(C)(C)C	ZINC000842348370	613052973	/nfs/dbraw/zinc/05/29/73/613052973.db2.gz	WERKADUEWZASFI-SECBINFHSA-N	-1	0	289.353	0.434	20	30		CCEDRM
C#CCCS(=O)(=O)[N-]C(=O)[C@H](C)Oc1ccccc1	ZINC000810786311	613053311	/nfs/dbraw/zinc/05/33/11/613053311.db2.gz	CILYZJPPNNCOHO-NSHDSACASA-N	-1	0	281.333	0.923	20	30		CCEDRM
C#CCCS(=O)(=O)[N-]C(=O)[C@H]1CCC(F)(F)C1	ZINC000810784398	613053319	/nfs/dbraw/zinc/05/33/19/613053319.db2.gz	DAQDLHXYQAOYGQ-QMMMGPOBSA-N	-1	0	265.281	0.891	20	30		CCEDRM
C#CCCS(=O)(=O)[N-]C(=O)c1cn(CC)nc1C	ZINC000860721723	613053870	/nfs/dbraw/zinc/05/38/70/613053870.db2.gz	KQSRFMUPHKOHNF-UHFFFAOYSA-N	-1	0	269.326	0.294	20	30		CCEDRM
C#CC[C@H](NC(=O)CCCn1nc(C)cc1C)C(=O)[O-]	ZINC000923087912	613067639	/nfs/dbraw/zinc/06/76/39/613067639.db2.gz	BXDUKSRXCIIBSN-LBPRGKRZSA-N	-1	0	277.324	0.873	20	30		CCEDRM
C#CC[C@H](NC(=O)[C@H](O)Cc1ccccc1Cl)C(=O)[O-]	ZINC000910048106	613069374	/nfs/dbraw/zinc/06/93/74/613069374.db2.gz	DSASXWBMFXSLLS-NWDGAFQWSA-N	-1	0	295.722	0.836	20	30		CCEDRM
C#CC[C@H](NC(=O)[C@H](OCC)[C@@H]1CCOC1)C(=O)[O-]	ZINC000910049210	613069417	/nfs/dbraw/zinc/06/94/17/613069417.db2.gz	TXNBHWNMMOVWIW-OUAUKWLOSA-N	-1	0	269.297	0.021	20	30		CCEDRM
C#CC[C@H](NC(=O)[C@H]1CCCN(C(=O)CC)C1)C(=O)[O-]	ZINC000910050989	613069574	/nfs/dbraw/zinc/06/95/74/613069574.db2.gz	CSYCCWARBGDRNN-QWRGUYRKSA-N	-1	0	280.324	0.228	20	30		CCEDRM
C#CC[C@H](NC(=O)c1cc(CCC)on1)C(=O)[O-]	ZINC000910051713	613069902	/nfs/dbraw/zinc/06/99/02/613069902.db2.gz	ZCHIYPUZZDYFSE-VIFPVBQESA-N	-1	0	250.254	0.833	20	30		CCEDRM
C#CC[C@H](NC(=O)c1cn(CCC(C)C)nn1)C(=O)[O-]	ZINC000910051473	613070430	/nfs/dbraw/zinc/07/04/30/613070430.db2.gz	WAXDAAGFIRCGAJ-JTQLQIEISA-N	-1	0	278.312	0.531	20	30		CCEDRM
C#CC[C@H](NC(=O)c1[nH]ncc1C(F)(F)F)C(=O)[O-]	ZINC000910048794	613070859	/nfs/dbraw/zinc/07/08/59/613070859.db2.gz	OSHGDCUBEOIHEM-LURJTMIESA-N	-1	0	275.186	0.635	20	30		CCEDRM
C#CCn1cc(CNC(=O)C23CC(C(=O)[O-])(C2)C3)cn1	ZINC000911717204	613076538	/nfs/dbraw/zinc/07/65/38/613076538.db2.gz	OBNNNSOILYUYCA-UHFFFAOYSA-N	-1	0	273.292	0.387	20	30		CCEDRM
C#CCn1cc(CNC(=O)[C@H](C(=O)[O-])C(C)C)cn1	ZINC000911716681	613077216	/nfs/dbraw/zinc/07/72/16/613077216.db2.gz	MDFDDTRMOQMARQ-LLVKDONJSA-N	-1	0	263.297	0.489	20	30		CCEDRM
C#CCN(C)S(=O)(=O)c1ccc(OCC(=O)[O-])c(C)c1	ZINC000871949271	613079336	/nfs/dbraw/zinc/07/93/36/613079336.db2.gz	VGHYIALJEBZBMS-UHFFFAOYSA-N	-1	0	297.332	0.712	20	30		CCEDRM
C#C[C@@H](CCC)NC(=O)C(=O)Nc1cccnc1C(=O)[O-]	ZINC000850787627	613084664	/nfs/dbraw/zinc/08/46/64/613084664.db2.gz	UCBDHUMRMFCWAC-VIFPVBQESA-N	-1	0	289.291	0.636	20	30		CCEDRM
C#C[C@@H](NC(=O)[C@H]1C[C@H]1C(=O)[O-])C1CCOCC1	ZINC000911791092	613098717	/nfs/dbraw/zinc/09/87/17/613098717.db2.gz	LMCOCUVKQLRQRB-HBNTYKKESA-N	-1	0	251.282	0.252	20	30		CCEDRM
C#CCN(CC#CC)C(=O)NCC1CN(C(=O)[O-])C1	ZINC000833786834	613099774	/nfs/dbraw/zinc/09/97/74/613099774.db2.gz	AWTXNJMFYGVXHU-UHFFFAOYSA-N	-1	0	263.297	0.264	20	30		CCEDRM
C#CCN(CC(=O)[O-])S(=O)(=O)c1cnn(C(C)C)c1	ZINC000849219358	613104027	/nfs/dbraw/zinc/10/40/27/613104027.db2.gz	QSVARTXVCUDMMA-UHFFFAOYSA-N	-1	0	285.325	0.173	20	30		CCEDRM
C#Cc1ccc(C(=O)N2CCC[C@H](O)[C@H]2C(=O)[O-])cc1	ZINC000911630408	613169645	/nfs/dbraw/zinc/16/96/45/613169645.db2.gz	JEUHPDQKWKNZHN-STQMWFEESA-N	-1	0	273.288	0.718	20	30		CCEDRM
C#Cc1ccc(C(=O)N2CCN(C(=O)[O-])C[C@H]2C#N)nc1	ZINC000823467372	613169689	/nfs/dbraw/zinc/16/96/89/613169689.db2.gz	UZTTUHCVEVEUJY-LLVKDONJSA-N	-1	0	284.275	0.391	20	30		CCEDRM
C#CCN1CCC[C@H](NS(=O)(=O)c2ccccc2[O-])C1	ZINC000885508321	613193043	/nfs/dbraw/zinc/19/30/43/613193043.db2.gz	FLCREILSIGISPC-LBPRGKRZSA-N	-1	0	294.376	0.768	20	30		CCEDRM
COc1cccnc1CC(=O)N[C@H]1CCCN(O)C1=O	ZINC000816758868	617322664	/nfs/dbraw/zinc/32/26/64/617322664.db2.gz	ZGXWSURESKQUED-VIFPVBQESA-N	-1	0	279.296	0.129	20	30		CCEDRM
C=C(C)CN(CC)C(=O)CN1CC[C@H](OC)C[C@@H]1C(=O)[O-]	ZINC000833369143	613293447	/nfs/dbraw/zinc/29/34/47/613293447.db2.gz	HCYQFGAPAQYBTR-QWHCGFSZSA-N	-1	0	298.383	0.975	20	30		CCEDRM
C=C(C)COCCNC(=O)[C@H]1CCN(C(=O)[O-])C1	ZINC000823481020	613352187	/nfs/dbraw/zinc/35/21/87/613352187.db2.gz	VPVZTHXGCRWZAI-JTQLQIEISA-N	-1	0	256.302	0.695	20	30		CCEDRM
C=C(C)CO[N-]C(=O)CNC(=O)c1ccc2c(c1)OCO2	ZINC000846540953	613352435	/nfs/dbraw/zinc/35/24/35/613352435.db2.gz	MWOPAKKSZIYLRR-UHFFFAOYSA-N	-1	0	292.291	0.769	20	30		CCEDRM
C=C(C)CS(=O)(=O)N[C@@]1(CC(=O)[O-])CCCOC1	ZINC000830098401	613354223	/nfs/dbraw/zinc/35/42/23/613354223.db2.gz	QORXHDHYHWOPCF-LLVKDONJSA-N	-1	0	277.342	0.506	20	30		CCEDRM
C=C(C)CS(=O)(=O)NCc1nc(C2CC2)no1	ZINC000797820933	613354297	/nfs/dbraw/zinc/35/42/97/613354297.db2.gz	UYEPCNNSSOBUOS-UHFFFAOYSA-N	-1	0	257.315	0.943	20	30		CCEDRM
C=C(C)C[C@@H](NC(=O)Cc1cncc(O)c1)C(=O)[O-]	ZINC000910292886	613355921	/nfs/dbraw/zinc/35/59/21/613355921.db2.gz	RXXKLWUZZALZAD-LLVKDONJSA-N	-1	0	264.281	0.865	20	30		CCEDRM
C=C(C)C[C@@H](NC(=O)[C@@H](OC)c1cnn(C)c1)C(=O)[O-]	ZINC000910292716	613356055	/nfs/dbraw/zinc/35/60/55/613356055.db2.gz	HRHJPXOKIZSDNB-MNOVXSKESA-N	-1	0	281.312	0.643	20	30		CCEDRM
C=C(C)C[C@@H](NC(=O)c1cnn(CCOC)c1C)C(=O)[O-]	ZINC000910294595	613356182	/nfs/dbraw/zinc/35/61/82/613356182.db2.gz	QMKFDKQCWBCFNL-GFCCVEGCSA-N	-1	0	295.339	0.987	20	30		CCEDRM
C=C(C)C[C@@H](NC(C)=O)C(=O)[N-]OC[C@H]1CCOC1	ZINC000834290195	613356416	/nfs/dbraw/zinc/35/64/16/613356416.db2.gz	JKONNGCMUCFWLI-NWDGAFQWSA-N	-1	0	270.329	0.542	20	30		CCEDRM
C=C(C)C[C@@H](NS(=O)(=O)C[C@H]1CCCOC1)C(=O)[O-]	ZINC000871995676	613356947	/nfs/dbraw/zinc/35/69/47/613356947.db2.gz	DYDFHCJGZQVBJF-WDEREUQCSA-N	-1	0	291.369	0.752	20	30		CCEDRM
C=C(C)C[C@H](CO)NS(=O)(=O)c1conc1C	ZINC000882845648	613358611	/nfs/dbraw/zinc/35/86/11/613358611.db2.gz	TYFDZGVZEMGHMH-SECBINFHSA-N	-1	0	260.315	0.588	20	30		CCEDRM
C=C(C)C[C@H](NC(=O)NCCc1cn(C)cn1)C(=O)[O-]	ZINC000909024287	613358764	/nfs/dbraw/zinc/35/87/64/613358764.db2.gz	CHEGXFKAAFFUIX-NSHDSACASA-N	-1	0	280.328	0.681	20	30		CCEDRM
C=C(C)C[C@H](NC(=O)[C@@H]1CSCN1C(C)=O)C(=O)[O-]	ZINC000864187412	613358996	/nfs/dbraw/zinc/35/89/96/613358996.db2.gz	KNALXBQOIZYWIU-UWVGGRQHSA-N	-1	0	286.353	0.443	20	30		CCEDRM
C=C(C)C[C@H](NC(=O)[C@H](OCC)[C@@H]1CCOC1)C(=O)[O-]	ZINC000864188862	613359107	/nfs/dbraw/zinc/35/91/07/613359107.db2.gz	WSZLHNIKPOSFHG-GRYCIOLGSA-N	-1	0	285.340	0.964	20	30		CCEDRM
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CCO[C@H](c2nnn[n-]2)C1	ZINC000906617848	613361110	/nfs/dbraw/zinc/36/11/10/613361110.db2.gz	RGUUNZRGTMZWKW-DCAQKATOSA-N	-1	0	293.327	0.081	20	30		CCEDRM
C=C(C)[C@H](CC(=O)NCCCc1c[nH][nH]c1=O)OCC	ZINC000898736231	613362202	/nfs/dbraw/zinc/36/22/02/613362202.db2.gz	BXSLSOBXNKRGHR-NEPJUHHUSA-N	-1	0	281.356	0.986	20	30		CCEDRM
C=C(C)[C@H](CC(=O)[N-]S(=O)(=O)CC#CC)OCC	ZINC000810773320	613362240	/nfs/dbraw/zinc/36/22/40/613362240.db2.gz	ZFLUFIHADPEXTF-NSHDSACASA-N	-1	0	273.354	0.827	20	30		CCEDRM
C=C(C)[C@H](CC(=O)Nn1c(=O)[n-][nH]c1=O)OCC	ZINC000854611778	613362572	/nfs/dbraw/zinc/36/25/72/613362572.db2.gz	AEDVQVVWSFYFIZ-ZETCQYMHSA-N	-1	0	256.262	0.131	20	30		CCEDRM
C=C(Cl)C[C@@H](NC(=O)[C@H](C)C(=O)[O-])C(=O)OCC	ZINC000902267786	613388544	/nfs/dbraw/zinc/38/85/44/613388544.db2.gz	JISNONZMWFOBQZ-JGVFFNPUSA-N	-1	0	277.704	0.898	20	30		CCEDRM
C=C(Cl)C[C@@H](NC(=O)c1ccc(=O)n(C)n1)C(=O)[O-]	ZINC000864181702	613388711	/nfs/dbraw/zinc/38/87/11/613388711.db2.gz	FOMBVXJXIUWIEF-MRVPVSSYSA-N	-1	0	285.687	0.106	20	30		CCEDRM
C=C(Cl)C[C@@H](NC(=O)c1ccn(C)n1)C(=O)[O-]	ZINC000910267031	613388718	/nfs/dbraw/zinc/38/87/18/613388718.db2.gz	QJEHJMSKSLXAKQ-MRVPVSSYSA-N	-1	0	257.677	0.746	20	30		CCEDRM
C=C(Cl)C[C@@H](NS(=O)(=O)c1cnn(C)c1)C(=O)[O-]	ZINC000863422006	613388841	/nfs/dbraw/zinc/38/88/41/613388841.db2.gz	YLIZAYMYUUMMKA-MRVPVSSYSA-N	-1	0	293.732	0.294	20	30		CCEDRM
C=C(Cl)C[C@H](N)C(=O)[N-]S(=O)(=O)[C@H]1CCCOC1	ZINC000901040345	613390154	/nfs/dbraw/zinc/39/01/54/613390154.db2.gz	LEZNZJLJZYYVMQ-IUCAKERBSA-N	-1	0	296.776	0.081	20	30		CCEDRM
C=C(Cl)C[C@H](NS(=O)(=O)C1(COC)CC1)C(=O)[O-]	ZINC000863421436	613390758	/nfs/dbraw/zinc/39/07/58/613390758.db2.gz	XOSKBEFKGUIKEX-QMMMGPOBSA-N	-1	0	297.760	0.681	20	30		CCEDRM
C=CCSCCNC(=O)NC1CN(C(=O)[O-])C1	ZINC000823516693	613395382	/nfs/dbraw/zinc/39/53/82/613395382.db2.gz	RZFSXVSQXJGFMM-UHFFFAOYSA-N	-1	0	259.331	0.567	20	30		CCEDRM
C=CC[C@@H](NC(=O)NCC(=O)[N-]OC)c1ccncc1	ZINC000919013334	613405727	/nfs/dbraw/zinc/40/57/27/613405727.db2.gz	CWYVVOPOCUMCTA-LLVKDONJSA-N	-1	0	278.312	0.676	20	30		CCEDRM
C=CC[C@H](C(=O)NCC(=O)NCC(=O)[O-])c1ccccc1	ZINC000910332093	613409765	/nfs/dbraw/zinc/40/97/65/613409765.db2.gz	HNRAXEBKYSDPJA-LBPRGKRZSA-N	-1	0	290.319	0.663	20	30		CCEDRM
CC(=O)N1CCN(C(=O)[C@](C)(C#N)CC(=O)[O-])[C@H](C)C1	ZINC000819730997	613411911	/nfs/dbraw/zinc/41/19/11/613411911.db2.gz	CGQATWNUVHGIPL-RNCFNFMXSA-N	-1	0	281.312	0.070	20	30		CCEDRM
C=CCn1cc(C(=O)NC2CC(C(=O)[O-])C2)nn1	ZINC000864207057	613427790	/nfs/dbraw/zinc/42/77/90/613427790.db2.gz	LPRNUVLSALDBRB-UHFFFAOYSA-N	-1	0	250.258	0.057	20	30		CCEDRM
C=C[C@@H](C)NS(=O)(=O)Cc1cccc(-c2nn[nH]n2)c1	ZINC000819729018	613442520	/nfs/dbraw/zinc/44/25/20/613442520.db2.gz	AIFHPGGKQIQIGP-SECBINFHSA-N	-1	0	293.352	0.861	20	30		CCEDRM
C=C[C@@H](C)O[N-]C(=O)C1=C(C)OCCS1(=O)=O	ZINC000846550254	613443178	/nfs/dbraw/zinc/44/31/78/613443178.db2.gz	WNNOKEVHJQVZRJ-SSDOTTSWSA-N	-1	0	261.299	0.285	20	30		CCEDRM
C=C[C@@H](C)O[N-]C(=O)C(=O)Nc1cnccc1OC	ZINC000846156096	613443285	/nfs/dbraw/zinc/44/32/85/613443285.db2.gz	SOJFLSXKHHNNAQ-MRVPVSSYSA-N	-1	0	265.269	0.651	20	30		CCEDRM
C=C[C@@H](C)O[N-]C(=O)CN1C(=O)N[C@](C)(C2CC2)C1=O	ZINC000846544271	613443679	/nfs/dbraw/zinc/44/36/79/613443679.db2.gz	VXWCDCCWTQPHNT-AMIZOPFISA-N	-1	0	281.312	0.329	20	30		CCEDRM
C=CC(C)(C)CC(=O)N1CCS(=O)(=O)C[C@@H]1C(=O)[O-]	ZINC000901654002	613445103	/nfs/dbraw/zinc/44/51/03/613445103.db2.gz	WSDSYNMUTYRPAD-SECBINFHSA-N	-1	0	289.353	0.299	20	30		CCEDRM
C=C[C@@H](C)O[N-]C(=O)[C@H]1CCCN1S(C)(=O)=O	ZINC000846542768	613447135	/nfs/dbraw/zinc/44/71/35/613447135.db2.gz	BSENWBUOOLAGLF-RKDXNWHRSA-N	-1	0	262.331	0.033	20	30		CCEDRM
C=C[C@@H](C)O[N-]C(=O)[C@@H](C)S(=O)(=O)C1CCOCC1	ZINC000846547141	613447218	/nfs/dbraw/zinc/44/72/18/613447218.db2.gz	IOTQJHGQGZAPQV-NXEZZACHSA-N	-1	0	291.369	0.591	20	30		CCEDRM
C=C[C@@H](O)C(=O)N1CCC(n2cc(C(=O)[O-])cn2)CC1	ZINC000909833516	613450240	/nfs/dbraw/zinc/45/02/40/613450240.db2.gz	NWMMBAWZKFKBIO-LLVKDONJSA-N	-1	0	279.296	0.292	20	30		CCEDRM
C=CC1(S(=O)(=O)[N-]C(=O)CCCn2cccn2)CC1	ZINC000870832807	613450370	/nfs/dbraw/zinc/45/03/70/613450370.db2.gz	RAJJNVFLAHQQFJ-UHFFFAOYSA-N	-1	0	283.353	0.828	20	30		CCEDRM
C=CC1(S(=O)(=O)[N-]C(=O)C2(CCOC)CC2)CC1	ZINC000870834091	613450445	/nfs/dbraw/zinc/45/04/45/613450445.db2.gz	NJQFCNVSSGMXDC-UHFFFAOYSA-N	-1	0	273.354	0.968	20	30		CCEDRM
C=CC1(S(=O)(=O)[N-]C(=O)C[C@H]2CCCC(=O)N2)CC1	ZINC000870837791	613450820	/nfs/dbraw/zinc/45/08/20/613450820.db2.gz	BPZUOQOWZHYSFQ-SECBINFHSA-N	-1	0	286.353	0.210	20	30		CCEDRM
C=CC1(S(=O)(=O)[N-]C(=O)[C@H]2C[C@]23CCOC3)CC1	ZINC000870835549	613451942	/nfs/dbraw/zinc/45/19/42/613451942.db2.gz	FAIAKYKPHZQXIE-KOLCDFICSA-N	-1	0	271.338	0.578	20	30		CCEDRM
C=CC1(S(=O)(=O)[N-]C(=O)c2cnc3n2CCOC3)CC1	ZINC000870839565	613452177	/nfs/dbraw/zinc/45/21/77/613452177.db2.gz	NSCVNWSMPRWHMA-UHFFFAOYSA-N	-1	0	297.336	0.192	20	30		CCEDRM
C=CCC(CC=C)C(=O)N1CCNC(=O)[C@@H]1CC(=O)[O-]	ZINC000825660156	613453412	/nfs/dbraw/zinc/45/34/12/613453412.db2.gz	XHLLEFGTNGNHAD-NSHDSACASA-N	-1	0	280.324	0.557	20	30		CCEDRM
C=CCC(CC=C)C(=O)N1CCOC[C@H]1c1nnn[n-]1	ZINC000913496260	613453559	/nfs/dbraw/zinc/45/35/59/613453559.db2.gz	WUXNRMJQMMEVDP-NSHDSACASA-N	-1	0	277.328	0.868	20	30		CCEDRM
C=CCC1(C(=O)[O-])CN(S(=O)(=O)c2cnc(C)n2C)C1	ZINC000906007073	613457006	/nfs/dbraw/zinc/45/70/06/613457006.db2.gz	UAYMYZDNIAKKKE-UHFFFAOYSA-N	-1	0	299.352	0.380	20	30		CCEDRM
C=CCC1(S(=O)(=O)[N-]C(=O)[C@@H](C)CC(=O)OC)CC1	ZINC000810983318	613460621	/nfs/dbraw/zinc/46/06/21/613460621.db2.gz	PTCZIGRTKOSORD-VIFPVBQESA-N	-1	0	289.353	0.740	20	30		CCEDRM
C=CCC1(S(=O)(=O)[N-]C(=O)C[C@H]2CCOC2)CC1	ZINC000810981733	613460798	/nfs/dbraw/zinc/46/07/98/613460798.db2.gz	IAIQTBXARDZOBE-SNVBAGLBSA-N	-1	0	273.354	0.968	20	30		CCEDRM
C=CCC1(S(=O)(=O)[N-]C(=O)[C@@H]2CCNC(=O)C2)CC1	ZINC000810987534	613461342	/nfs/dbraw/zinc/46/13/42/613461342.db2.gz	OUYABEUZGFKFOO-SECBINFHSA-N	-1	0	286.353	0.067	20	30		CCEDRM
C=CCC1(S(=O)(=O)[N-]C(=O)[C@H](OC)C2CC2)CC1	ZINC000810979622	613461383	/nfs/dbraw/zinc/46/13/83/613461383.db2.gz	GDSCNSPOKSIUCZ-SNVBAGLBSA-N	-1	0	273.354	0.966	20	30		CCEDRM
C=CCC1(S(=O)(=O)[N-]C(=O)[C@@H]2CCC(=O)N2C)CC1	ZINC000810984778	613461441	/nfs/dbraw/zinc/46/14/41/613461441.db2.gz	NHYPRRJZMVZVRI-VIFPVBQESA-N	-1	0	286.353	0.162	20	30		CCEDRM
C=CCCCC(=O)N[C@H]1CCCCN(CC(=O)[O-])C1=O	ZINC000902431263	613465337	/nfs/dbraw/zinc/46/53/37/613465337.db2.gz	KEVIYWRCXBDGOF-NSHDSACASA-N	-1	0	282.340	0.925	20	30		CCEDRM
C=C[C@@H]1OCC[C@H]1C(=O)[N-]S(=O)(=O)C1CCCC1	ZINC000835213062	613465832	/nfs/dbraw/zinc/46/58/32/613465832.db2.gz	NODQPFFHUGOSPD-MNOVXSKESA-N	-1	0	273.354	0.966	20	30		CCEDRM
C=CCCCN(C)C(=O)[C@@H]1CN(C(=O)[O-])CCO1	ZINC000823496866	613466499	/nfs/dbraw/zinc/46/64/99/613466499.db2.gz	RJTCLOKTPULMFM-JTQLQIEISA-N	-1	0	256.302	0.790	20	30		CCEDRM
C=CCCCN(CC)C(=O)Cn1[n-]cc2c(=O)ncnc1-2	ZINC000890814013	613466925	/nfs/dbraw/zinc/46/69/25/613466925.db2.gz	KNEKIPBYJOUBBZ-UHFFFAOYSA-N	-1	0	289.339	0.886	20	30		CCEDRM
C=CCCCS(=O)(=O)N[C@]1(CC(=O)[O-])CCCOC1	ZINC000819106911	613469725	/nfs/dbraw/zinc/46/97/25/613469725.db2.gz	BXMODHPYLWMLRJ-LBPRGKRZSA-N	-1	0	291.369	0.896	20	30		CCEDRM
C=C[C@@H]1OCC[C@H]1CNC(=O)N[C@@H](CSC)C(=O)[O-]	ZINC000909247604	613469785	/nfs/dbraw/zinc/46/97/85/613469785.db2.gz	UJEZUBSVOXGHKZ-GUBZILKMSA-N	-1	0	288.369	0.693	20	30		CCEDRM
C=CCCC[C@@H](NC(=O)C(C)(C)NC(C)=O)C(=O)[O-]	ZINC000910913951	613470123	/nfs/dbraw/zinc/47/01/23/613470123.db2.gz	GNUGBMDAEAOHNF-SNVBAGLBSA-N	-1	0	270.329	0.827	20	30		CCEDRM
C=CCCC[C@@H](NC(=O)[C@H]1OCCO[C@H]1C)C(=O)[O-]	ZINC000910922411	613471545	/nfs/dbraw/zinc/47/15/45/613471545.db2.gz	JNQPFKZGCOVAJI-AXFHLTTASA-N	-1	0	271.313	0.716	20	30		CCEDRM
C=CCCC[C@@H](NS(=O)(=O)C[C@H]1CCCO1)C(=O)[O-]	ZINC000903059129	613471578	/nfs/dbraw/zinc/47/15/78/613471578.db2.gz	NGXHVIKUCAHFST-GHMZBOCLSA-N	-1	0	291.369	0.894	20	30		CCEDRM
C=C[C@@H]1OCC[C@H]1NS(=O)(=O)c1c[nH]c(C(=O)[O-])c1	ZINC000840892568	613472158	/nfs/dbraw/zinc/47/21/58/613472158.db2.gz	BDHIHIHEOLHBLF-SCZZXKLOSA-N	-1	0	286.309	0.335	20	30		CCEDRM
C=CCCC[C@H](NC(=O)[C@@H]1CN(C)CCO1)C(=O)[O-]	ZINC000910918326	613473890	/nfs/dbraw/zinc/47/38/90/613473890.db2.gz	YAJWVODGBYTOGR-QWRGUYRKSA-N	-1	0	270.329	0.243	20	30		CCEDRM
C=CCCC[C@H](NC(=O)c1cc(OC)n(C)n1)C(=O)[O-]	ZINC000910926897	613474363	/nfs/dbraw/zinc/47/43/63/613474363.db2.gz	VPFNKIFGHSHNGR-VIFPVBQESA-N	-1	0	281.312	0.968	20	30		CCEDRM
C=CCCC[C@H](NS(=O)(=O)C1(COC)CC1)C(=O)[O-]	ZINC000903058617	613474762	/nfs/dbraw/zinc/47/47/62/613474762.db2.gz	IMEJFLGVZNRBGA-JTQLQIEISA-N	-1	0	291.369	0.894	20	30		CCEDRM
C=C[C@H](C)O[N-]C(=O)C(=O)Nc1ccn([C@@H](C)COC)n1	ZINC000846152746	613483741	/nfs/dbraw/zinc/48/37/41/613483741.db2.gz	CYUNADYKRLBYFP-UWVGGRQHSA-N	-1	0	296.327	0.651	20	30		CCEDRM
C=C[C@H](C)O[N-]C(=O)[C@@H](C)N1C(=O)NC2(CCCC2)C1=O	ZINC000846549169	613487892	/nfs/dbraw/zinc/48/78/92/613487892.db2.gz	IGSHWZYLISPVFL-VHSXEESVSA-N	-1	0	295.339	0.862	20	30		CCEDRM
C=C[C@H](C)O[N-]C(=O)[C@](C)(O)Cn1ccc(C)cc1=O	ZINC000846555702	613488732	/nfs/dbraw/zinc/48/87/32/613488732.db2.gz	UTUSIAPIEIXDKH-SMDDNHRTSA-N	-1	0	280.324	0.530	20	30		CCEDRM
C=C[C@H](CC)CC(=O)N1CCC[C@@H]1C(=O)NCC(=O)[O-]	ZINC000907772491	613489200	/nfs/dbraw/zinc/48/92/00/613489200.db2.gz	QSNVXLPKZREWIG-GHMZBOCLSA-N	-1	0	282.340	0.781	20	30		CCEDRM
C=C[C@H](O)C(=O)N(C)[C@H](C(=O)[O-])c1cccc(OC)c1	ZINC000910775709	613493637	/nfs/dbraw/zinc/49/36/37/613493637.db2.gz	WROKEWOPDZOWIQ-RYUDHWBXSA-N	-1	0	279.292	0.826	20	30		CCEDRM
C=C[C@H](O)C(=O)NC[C@H](Cc1ccccc1OC)C(=O)[O-]	ZINC000909386329	613495938	/nfs/dbraw/zinc/49/59/38/613495938.db2.gz	WQGMTWCDXZQAPO-RYUDHWBXSA-N	-1	0	293.319	0.602	20	30		CCEDRM
CC#CCN(C)C(=O)c1cc(=O)n(-c2nc(C)cc(C)n2)[n-]1	ZINC000908450847	613524417	/nfs/dbraw/zinc/52/44/17/613524417.db2.gz	QAOCDISBMKLCID-UHFFFAOYSA-N	-1	0	299.334	0.668	20	30		CCEDRM
C=CCCS(=O)(=O)N1CC[C@@H](CN(C)C(=O)[O-])C1	ZINC000823500199	613580585	/nfs/dbraw/zinc/58/05/85/613580585.db2.gz	BPXLWGBNMINZGU-JTQLQIEISA-N	-1	0	276.358	0.824	20	30		CCEDRM
C=CCCOCC(=O)N[C@](C)(Cn1cccn1)C(=O)[O-]	ZINC000908273863	613573278	/nfs/dbraw/zinc/57/32/78/613573278.db2.gz	VCADGBRNVICJCB-CYBMUJFWSA-N	-1	0	281.312	0.435	20	30		CCEDRM
C=CCCOCCNC(=O)N[C@]1(C(=O)[O-])CCSC1	ZINC000909116757	613575529	/nfs/dbraw/zinc/57/55/29/613575529.db2.gz	IMJVZJHPHHLLEL-GFCCVEGCSA-N	-1	0	288.369	0.839	20	30		CCEDRM
C=CCCO[N-]C(=O)CSc1nnnn1C1CC1	ZINC000856029741	613576577	/nfs/dbraw/zinc/57/65/77/613576577.db2.gz	BCUFANFWGCODHH-UHFFFAOYSA-N	-1	0	269.330	0.724	20	30		CCEDRM
C=CCCO[N-]C(=O)CNC(=O)COc1ccccc1	ZINC000856027853	613576754	/nfs/dbraw/zinc/57/67/54/613576754.db2.gz	CXQTVXFRSAYZBB-UHFFFAOYSA-N	-1	0	278.308	0.806	20	30		CCEDRM
C=CCCO[N-]C(=O)[C@@H]1CC(c2cn(C)nc2C)=NO1	ZINC000825566114	613576771	/nfs/dbraw/zinc/57/67/71/613576771.db2.gz	PONJKAWZIMERTN-LBPRGKRZSA-N	-1	0	278.312	0.845	20	30		CCEDRM
C=CCCO[N-]C(=O)Cn1cc(C(=O)OC)cn1	ZINC000862217723	613576856	/nfs/dbraw/zinc/57/68/56/613576856.db2.gz	PTRSKTKJKMWVFK-UHFFFAOYSA-N	-1	0	253.258	0.294	20	30		CCEDRM
C=CCCO[N-]C(=O)[C@H]1CCCN1S(C)(=O)=O	ZINC000856030264	613577148	/nfs/dbraw/zinc/57/71/48/613577148.db2.gz	VDKHYSDKQFLZNJ-SECBINFHSA-N	-1	0	262.331	0.034	20	30		CCEDRM
C=CCCS(=O)(=O)NCc1ccc(-c2nn[nH]n2)cc1	ZINC000819740450	613581702	/nfs/dbraw/zinc/58/17/02/613581702.db2.gz	ZUOJRKIJFYWYOP-UHFFFAOYSA-N	-1	0	293.352	0.862	20	30		CCEDRM
C=CCC[C@@H](NC(=O)c1cnc2n1CCOC2)C(=O)[O-]	ZINC000909712989	613585967	/nfs/dbraw/zinc/58/59/67/613585967.db2.gz	CNOHIIKBJZDBKM-SECBINFHSA-N	-1	0	279.296	0.563	20	30		CCEDRM
C=CCC[C@H](NC(=O)N[C@H](C)[C@@H]1CN(C)CCO1)C(=O)[O-]	ZINC000929049952	613589914	/nfs/dbraw/zinc/58/99/14/613589914.db2.gz	NQWXSCINHUIQAV-WOPDTQHZSA-N	-1	0	299.371	0.424	20	30		CCEDRM
C=CCCn1cc(C(=O)[N-]S(=O)(=O)C2(C)CC2)nn1	ZINC000821073050	613595001	/nfs/dbraw/zinc/59/50/01/613595001.db2.gz	HNGWKVLAKFJKTK-UHFFFAOYSA-N	-1	0	284.341	0.466	20	30		CCEDRM
C=CCN(C(=O)C(=O)NC[C@H](C)C(=O)[O-])C(C)C	ZINC000848608446	613603259	/nfs/dbraw/zinc/60/32/59/613603259.db2.gz	GCHMBUUPGYGISR-VIFPVBQESA-N	-1	0	256.302	0.246	20	30		CCEDRM
C=CCN(C(=O)[C@@H]1CN(C(=O)[O-])CCO1)C(C)C	ZINC000823501249	613606971	/nfs/dbraw/zinc/60/69/71/613606971.db2.gz	SNNPEVFDOCQAFN-JTQLQIEISA-N	-1	0	256.302	0.788	20	30		CCEDRM
C=CCN(CC(=O)[O-])S(=O)(=O)CC(C)(C)C#N	ZINC000905987812	613643675	/nfs/dbraw/zinc/64/36/75/613643675.db2.gz	DTGKDPLXLKQULX-UHFFFAOYSA-N	-1	0	260.315	0.439	20	30		CCEDRM
C=CCN(CC(=O)[O-])C(=O)c1ccn(C2CCOCC2)n1	ZINC000864136304	613643765	/nfs/dbraw/zinc/64/37/65/613643765.db2.gz	WOKGHSHTANNXLP-UHFFFAOYSA-N	-1	0	293.323	0.947	20	30		CCEDRM
CC#CCNC(=O)Cn1c(=O)c2ccccc2[n-]c1=S	ZINC000155902171	613643964	/nfs/dbraw/zinc/64/39/64/613643964.db2.gz	KWORDUPAYMHBOF-UHFFFAOYSA-N	-1	0	287.344	0.825	20	30		CCEDRM
C=CCN(CC(=O)OCC)C(=O)CSCC(=O)[O-]	ZINC000842569297	613644494	/nfs/dbraw/zinc/64/44/94/613644494.db2.gz	CWDVFYOEOBRSCG-UHFFFAOYSA-N	-1	0	275.326	0.382	20	30		CCEDRM
C=CCN(CC(=O)OCC)C(=O)c1ccc(C(=O)[O-])cn1	ZINC000833375100	613645325	/nfs/dbraw/zinc/64/53/25/613645325.db2.gz	GPTLDPRXAAAYQT-UHFFFAOYSA-N	-1	0	292.291	0.971	20	30		CCEDRM
CC#CCS(=O)(=O)[N-]C(=O)[C@@H](C)[C@H](C)COC	ZINC000813094408	613646211	/nfs/dbraw/zinc/64/62/11/613646211.db2.gz	LDPSKJCDGFRHCM-ZJUUUORDSA-N	-1	0	261.343	0.374	20	30		CCEDRM
CC#CCS(=O)(=O)[N-]C(=O)Cn1cc(C2CC2)cn1	ZINC000850999446	613646275	/nfs/dbraw/zinc/64/62/75/613646275.db2.gz	FHRNCFQEXJZQMW-UHFFFAOYSA-N	-1	0	281.337	0.230	20	30		CCEDRM
CC#CCS(=O)(=O)[N-]C(=O)[C@@H]1CC[C@@H](CC)O1	ZINC000810775055	613646558	/nfs/dbraw/zinc/64/65/58/613646558.db2.gz	SRLNEQCYOIJXPP-ZJUUUORDSA-N	-1	0	259.327	0.413	20	30		CCEDRM
CC#CCS(=O)(=O)[N-]C(=O)[C@@H]1CCC(F)(F)C1	ZINC000810777583	613646569	/nfs/dbraw/zinc/64/65/69/613646569.db2.gz	JYQZRPHPXVSXLA-MRVPVSSYSA-N	-1	0	265.281	0.891	20	30		CCEDRM
CC#CCS(=O)(=O)[N-]C(=O)[C@]1(C)CCCOC1	ZINC000810774471	613647470	/nfs/dbraw/zinc/64/74/70/613647470.db2.gz	MYBIGCFKRBRIPS-LLVKDONJSA-N	-1	0	259.327	0.272	20	30		CCEDRM
CC#CCS(=O)(=O)[N-]C(=O)c1cccc(CC#N)c1	ZINC000798203300	613647792	/nfs/dbraw/zinc/64/77/92/613647792.db2.gz	XMLLMBXQVIALSY-UHFFFAOYSA-N	-1	0	276.317	0.836	20	30		CCEDRM
C=CCN(CCc1ccco1)CC(=O)NCC(=O)[O-]	ZINC000833374456	613650429	/nfs/dbraw/zinc/65/04/29/613650429.db2.gz	KELVFRRHDLOKSS-UHFFFAOYSA-N	-1	0	266.297	0.511	20	30		CCEDRM
CC(N=NC1=NC(=O)C(=O)N1)[C@@H]1C[C@H](CC(=O)[O-])C1(C)C	ZINC000814890556	613653881	/nfs/dbraw/zinc/65/38/81/613653881.db2.gz	XTAMBKWNVXPWPC-SFYZADRCSA-N	-1	0	294.311	0.101	20	30		CCEDRM
CC(=NNCC(=O)[O-])c1cc([N+](=O)[O-])ccc1N	ZINC000814956575	613654316	/nfs/dbraw/zinc/65/43/16/613654316.db2.gz	FRHIYBMYTUZQIH-UHFFFAOYSA-N	-1	0	252.230	0.575	20	30		CCEDRM
CC(=NNCC(=O)[O-])c1ccc2c(c1)OCC(=O)N2	ZINC000814961131	613654565	/nfs/dbraw/zinc/65/45/65/613654565.db2.gz	XUUUKVHVHXTHOI-UHFFFAOYSA-N	-1	0	263.253	0.416	20	30		CCEDRM
CC(=NNC[C@H](C)O)c1cc([N+](=O)[O-])ccc1[O-]	ZINC000814961776	613655587	/nfs/dbraw/zinc/65/55/87/613655587.db2.gz	RSYMIDMBLIAXDD-ZETCQYMHSA-N	-1	0	253.258	0.995	20	30		CCEDRM
CC(=NNCCOC(C)C)c1cn(CC(=O)[O-])nn1	ZINC000833386457	613655746	/nfs/dbraw/zinc/65/57/46/613655746.db2.gz	HAODRVJQBZUOFI-UHFFFAOYSA-N	-1	0	269.305	0.101	20	30		CCEDRM
CC(=NNCc1ccc(C#N)cc1)c1cn(CC(=O)[O-])nn1	ZINC000825804383	613656228	/nfs/dbraw/zinc/65/62/28/613656228.db2.gz	HUTPOFLRUFXKJU-UHFFFAOYSA-N	-1	0	298.306	0.748	20	30		CCEDRM
CC(=O)NC(C)(C)C(=O)[N-]Oc1cccc(C#N)c1	ZINC000870692407	613687101	/nfs/dbraw/zinc/68/71/01/613687101.db2.gz	CSUOBERLJIOMKA-UHFFFAOYSA-N	-1	0	261.281	0.883	20	30		CCEDRM
CC(=O)NC1CCC(NC(=O)[C@](C)(C#N)CC(=O)[O-])CC1	ZINC000819737575	613699096	/nfs/dbraw/zinc/69/90/96/613699096.db2.gz	XIGBMPCOBAIBQO-MGULZYLOSA-N	-1	0	295.339	0.554	20	30		CCEDRM
C=CCNC(=O)C(C#N)=C([O-])c1cnn2cccnc12	ZINC000916918326	613852977	/nfs/dbraw/zinc/85/29/77/613852977.db2.gz	RLHVTPMSWARMJF-VIFPVBQESA-N	-1	0	269.264	0.354	20	30		CCEDRM
C=CCNC(=O)[C@@H](C#N)C(=O)[C@H](C)CN(C)C(=O)[O-]	ZINC000823507241	613853019	/nfs/dbraw/zinc/85/30/19/613853019.db2.gz	UNOYQAXSTKVTAW-BDAKNGLRSA-N	-1	0	267.285	0.243	20	30		CCEDRM
C=CCNC(=O)[C@@H](C)OC(=O)[C@@H]1CCCCN1C(=O)[O-]	ZINC000823507446	613853939	/nfs/dbraw/zinc/85/39/39/613853939.db2.gz	XVTZHPUCJBILJO-ZJUUUORDSA-N	-1	0	284.312	0.753	20	30		CCEDRM
C=CCNC(=O)C(C#N)=C([O-])c1cc(C(=O)OC)oc1C	ZINC000850758759	613855007	/nfs/dbraw/zinc/85/50/07/613855007.db2.gz	DGIBRDWUQUKDMW-SNVBAGLBSA-N	-1	0	290.275	0.999	20	30		CCEDRM
C=CCOCC(=O)N1CCSC[C@@H](C(=O)[O-])C1	ZINC000910147154	613879174	/nfs/dbraw/zinc/87/91/74/613879174.db2.gz	PSPKFVVLFBHQOW-VIFPVBQESA-N	-1	0	259.327	0.465	20	30		CCEDRM
C=CCOCC(=O)N1CCO[C@@H]([C@@H](C)NC(=O)[O-])C1	ZINC000823516799	613879222	/nfs/dbraw/zinc/87/92/22/613879222.db2.gz	WAZHLGQQDUHUAU-NXEZZACHSA-N	-1	0	272.301	0.073	20	30		CCEDRM
C=CCOCCCC(=O)N1CCC[C@@H]1C(=O)NCC(=O)[O-]	ZINC000910760276	613879671	/nfs/dbraw/zinc/87/96/71/613879671.db2.gz	FHFDVQHVRPHTRS-LLVKDONJSA-N	-1	0	298.339	0.161	20	30		CCEDRM
C=CCOCCCNC(=O)N[C@@H](CSC)C(=O)[O-]	ZINC000905545822	613880110	/nfs/dbraw/zinc/88/01/10/613880110.db2.gz	NDQMXQWYBNERLX-VIFPVBQESA-N	-1	0	276.358	0.695	20	30		CCEDRM
C=CCOC[C@@H]([N-]C(=O)C(F)(F)F)C(=O)OC	ZINC000797761593	613881562	/nfs/dbraw/zinc/88/15/62/613881562.db2.gz	HOWLFXHWJJAZOK-ZCFIWIBFSA-N	-1	0	255.192	0.409	20	30		CCEDRM
C=CCOC[C@@H](NC(=O)Cc1ccc(C)nc1)C(=O)[O-]	ZINC000864146376	613881613	/nfs/dbraw/zinc/88/16/13/613881613.db2.gz	UJQMHHLIIQHDPI-GFCCVEGCSA-N	-1	0	278.308	0.705	20	30		CCEDRM
C=CCOC[C@@H](NC(=O)N[C@@H]1CCSC1)C(=O)[O-]	ZINC000908962513	613881634	/nfs/dbraw/zinc/88/16/34/613881634.db2.gz	GAFZLCZYLUBXSX-RKDXNWHRSA-N	-1	0	274.342	0.447	20	30		CCEDRM
C=CCOC[C@@H](NC(=O)NC[C@@H](C)C1CC1)C(=O)[O-]	ZINC000908894639	613881712	/nfs/dbraw/zinc/88/17/12/613881712.db2.gz	VSHCGZGSKQWGJU-MWLCHTKSSA-N	-1	0	270.329	0.988	20	30		CCEDRM
C=CCOC[C@H](NC(=O)N[C@@H](C)[C@@H]1CCOC1)C(=O)[O-]	ZINC000797726429	613882317	/nfs/dbraw/zinc/88/23/17/613882317.db2.gz	FZNNVUDTTLUWLW-AXFHLTTASA-N	-1	0	286.328	0.366	20	30		CCEDRM
C=CCOC[C@H](NC(=O)C[C@H](C)COC)C(=O)[O-]	ZINC000909770912	613882375	/nfs/dbraw/zinc/88/23/75/613882375.db2.gz	MPYHORFVUZEJCZ-UWVGGRQHSA-N	-1	0	259.302	0.431	20	30		CCEDRM
C=CCOC[C@H](NC(=O)[C@@H](C)Cc1cnn(C)c1)C(=O)[O-]	ZINC000909770904	613882407	/nfs/dbraw/zinc/88/24/07/613882407.db2.gz	MKOBKRZZNQUQSR-JQWIXIFHSA-N	-1	0	295.339	0.371	20	30		CCEDRM
C=CCOC[C@H](NC(=O)c1cncc(OC)c1C)C(=O)[O-]	ZINC000909770987	613882664	/nfs/dbraw/zinc/88/26/64/613882664.db2.gz	KMFOBLMJYWRHBG-NSHDSACASA-N	-1	0	294.307	0.784	20	30		CCEDRM
C=CCO[N-]C(=O)CN1CCc2ccccc2C1=O	ZINC000837048055	613883197	/nfs/dbraw/zinc/88/31/97/613883197.db2.gz	JUWCQZNUGIRSIA-UHFFFAOYSA-N	-1	0	260.293	0.919	20	30		CCEDRM
C=CCS(=O)(=O)[N-]C(=O)Cc1sc(C)nc1C	ZINC000892882353	613886252	/nfs/dbraw/zinc/88/62/52/613886252.db2.gz	JDEGQABNUQBRNE-UHFFFAOYSA-N	-1	0	274.367	0.934	20	30		CCEDRM
CC(C)C(=O)[N-]S(=O)(=O)c1cncc(C#N)c1	ZINC000813981712	613913420	/nfs/dbraw/zinc/91/34/20/613913420.db2.gz	VFKNQEBNAQPZGD-UHFFFAOYSA-N	-1	0	253.283	0.414	20	30		CCEDRM
CC(C)NC(=O)C(C#N)=C([O-])c1cc(C(N)=O)cs1	ZINC000920111861	613930524	/nfs/dbraw/zinc/93/05/24/613930524.db2.gz	RBNZZWRTEAZLJN-QMMMGPOBSA-N	-1	0	279.321	0.694	20	30		CCEDRM
CC(C)NC(=O)C(C#N)=C([O-])c1ccnc2ccnn21	ZINC000860473370	613930798	/nfs/dbraw/zinc/93/07/98/613930798.db2.gz	LMCBAXUFOJLZFH-VIFPVBQESA-N	-1	0	271.280	0.576	20	30		CCEDRM
CC(=O)Nc1c(C)[n-]n(-c2cc(C#N)cc(Cl)n2)c1=O	ZINC000871955687	613969224	/nfs/dbraw/zinc/96/92/24/613969224.db2.gz	XGPVPDMUZNLMIF-NSHDSACASA-N	-1	0	291.698	0.834	20	30		CCEDRM
CC(C)OCCCC(=O)[N-]S(=O)(=O)CC1(C#N)CC1	ZINC000793198128	614010499	/nfs/dbraw/zinc/01/04/99/614010499.db2.gz	VKCUKQBVWKKXLZ-UHFFFAOYSA-N	-1	0	288.369	0.941	20	30		CCEDRM
CC(C)(C)O[C@@H]1C[C@H]1C(=O)[N-]S(=O)(=O)CCCC#N	ZINC000850926453	614015407	/nfs/dbraw/zinc/01/54/07/614015407.db2.gz	MOARZEMSTXVUBI-NXEZZACHSA-N	-1	0	288.369	0.940	20	30		CCEDRM
CC(C)(CO)CNN=Cc1ccc(C(=O)[O-])nc1	ZINC000901235737	614119778	/nfs/dbraw/zinc/11/97/78/614119778.db2.gz	ZWBAXJCBZZTJDG-UHFFFAOYSA-N	-1	0	251.286	0.722	20	30		CCEDRM
CC(C)(CO)O[N-]C(=O)COc1cccc(C#N)c1	ZINC000836803089	614122667	/nfs/dbraw/zinc/12/26/67/614122667.db2.gz	CXDXGKQTBFWSPV-UHFFFAOYSA-N	-1	0	264.281	0.756	20	30		CCEDRM
CC(C)[C@H](C)C(=O)N1CCN(C(=O)[O-])C[C@@H]1C#N	ZINC000824063658	614197547	/nfs/dbraw/zinc/19/75/47/614197547.db2.gz	DYWYALIBYQPIQS-UWVGGRQHSA-N	-1	0	253.302	0.993	20	30		CCEDRM
CC(C)C[C@H](CO)NC(=O)[C@@](C)(C#N)CC(=O)[O-]	ZINC000819967324	614217217	/nfs/dbraw/zinc/21/72/17/614217217.db2.gz	ROAVSCMORMNPPA-BXKDBHETSA-N	-1	0	256.302	0.514	20	30		CCEDRM
CC(C)(C#N)C(=O)N1CCSC[C@@H](C(=O)[O-])C1	ZINC000923101884	614284449	/nfs/dbraw/zinc/28/44/49/614284449.db2.gz	JWRRAHGGZKXULM-QMMMGPOBSA-N	-1	0	256.327	0.812	20	30		CCEDRM
CCC(C#N)(CC)C(=O)[N-]S(=O)(=O)Cc1cnn(C)c1	ZINC000860858804	614471178	/nfs/dbraw/zinc/47/11/78/614471178.db2.gz	FBFPLXYTWNNZNB-UHFFFAOYSA-N	-1	0	298.368	0.696	20	30		CCEDRM
CCCCc1nc(Cn2cnc(-c3nnn[n-]3)c2C#N)no1	ZINC000825296302	614491088	/nfs/dbraw/zinc/49/10/88/614491088.db2.gz	CJYCAYQGDLEKBT-UHFFFAOYSA-N	-1	0	299.298	0.709	20	30		CCEDRM
CCC(C)(C)OCC(=O)[N-]S(=O)(=O)CCC#N	ZINC000838893454	614506346	/nfs/dbraw/zinc/50/63/46/614506346.db2.gz	WRMMTHKQNPNAFV-UHFFFAOYSA-N	-1	0	262.331	0.551	20	30		CCEDRM
CCCn1cc(C(=O)[N-]S(=O)(=O)CCC#N)cn1	ZINC000821583937	614519423	/nfs/dbraw/zinc/51/94/23/614519423.db2.gz	MCPRHGXISGWFKF-UHFFFAOYSA-N	-1	0	270.314	0.266	20	30		CCEDRM
CCC(CC)(CNC(=O)[O-])C(=O)N1CCN(CC#N)CC1	ZINC000833841985	614524875	/nfs/dbraw/zinc/52/48/75/614524875.db2.gz	OTMVLRQWDAMUDV-UHFFFAOYSA-N	-1	0	296.371	0.728	20	30		CCEDRM
CCC(=O)N1CC[C@@H](NC(=O)[C@](C)(C#N)CC(=O)[O-])C1	ZINC000820256799	614651707	/nfs/dbraw/zinc/65/17/07/614651707.db2.gz	JPCQOVWHXHDPCN-RNCFNFMXSA-N	-1	0	281.312	0.118	20	30		CCEDRM
CCCNC(=S)NN=Cc1cc(C(=O)[O-])nn1C	ZINC000901154925	614877277	/nfs/dbraw/zinc/87/72/77/614877277.db2.gz	WVUMYNJCJFGJGT-UHFFFAOYSA-N	-1	0	269.330	0.326	20	30		CCEDRM
CCCCC[C@@H](NC(=O)Cn1cnc(C#N)n1)C(=O)[O-]	ZINC000829326739	614928490	/nfs/dbraw/zinc/92/84/90/614928490.db2.gz	QDCNEERKRHKWPP-SECBINFHSA-N	-1	0	279.300	0.299	20	30		CCEDRM
CC1(S(=O)(=O)[N-]C(=O)CC2(C#N)CCOCC2)CC1	ZINC000851022476	614934744	/nfs/dbraw/zinc/93/47/44/614934744.db2.gz	YATUBRLWRFRVGA-UHFFFAOYSA-N	-1	0	286.353	0.695	20	30		CCEDRM
CC1(S(=O)(=O)[N-]C(=O)c2cccc(C#N)n2)CC1	ZINC000810878762	614935222	/nfs/dbraw/zinc/93/52/22/614935222.db2.gz	SKECJGYQQPMPDV-UHFFFAOYSA-N	-1	0	265.294	0.565	20	30		CCEDRM
CCN(C[C@@H](C)C#N)C(=O)CN(C)[C@H](C)C(=O)[O-]	ZINC000818193588	615061629	/nfs/dbraw/zinc/06/16/29/615061629.db2.gz	BOGBDFPIPWHDJG-VHSXEESVSA-N	-1	0	255.318	0.399	20	30		CCEDRM
CCOC(=O)/C=C\c1ccc(C=NNCC(=O)[O-])n1C	ZINC000872377906	615148407	/nfs/dbraw/zinc/14/84/07/615148407.db2.gz	NTQBWMBUCQIPTK-NGIGJIJDSA-N	-1	0	279.296	0.610	20	30		CCEDRM
CCOC(=O)c1[n-]n(-c2ccc(C#N)cn2)c(=O)c1C	ZINC000887294700	615166565	/nfs/dbraw/zinc/16/65/65/615166565.db2.gz	JFPYNBHXNHTFKS-QMMMGPOBSA-N	-1	0	272.264	0.855	20	30		CCEDRM
CCOC(=O)c1ccc(C([O-])=C(C#N)C(=O)NC)nc1C	ZINC000917001919	615181362	/nfs/dbraw/zinc/18/13/62/615181362.db2.gz	BHCAVYMDIYTZDE-SNVBAGLBSA-N	-1	0	289.291	0.635	20	30		CCEDRM
CCOCCCNC(=O)C(C#N)=C([O-])c1cnnn1CC	ZINC000815904876	615245749	/nfs/dbraw/zinc/24/57/49/615245749.db2.gz	SFANXWYUHOLOLU-SNVBAGLBSA-N	-1	0	293.327	0.163	20	30		CCEDRM
CCOC[C@@H](C(=O)[O-])N(C)S(=O)(=O)CCCC#N	ZINC000829978920	615304378	/nfs/dbraw/zinc/30/43/78/615304378.db2.gz	SUAGSXVHLXUTGQ-VIFPVBQESA-N	-1	0	278.330	0.041	20	30		CCEDRM
CCOC[C@H]1CCN(C(=O)[C@@](C)(C#N)CC(=O)[O-])C1	ZINC000820378199	615320768	/nfs/dbraw/zinc/32/07/68/615320768.db2.gz	XSCWMPBNDCWYJG-GXFFZTMASA-N	-1	0	268.313	0.876	20	30		CCEDRM
CCO[N-]C(=O)CNC(=O)C#Cc1cccs1	ZINC000846491707	615356268	/nfs/dbraw/zinc/35/62/68/615356268.db2.gz	RTSBEWUQVJWQAP-UHFFFAOYSA-N	-1	0	252.295	0.284	20	30		CCEDRM
CC[C@@H]1C[C@H](C(=O)N[C@H]2CCCN(O)C2=O)CCO1	ZINC000816760005	615571181	/nfs/dbraw/zinc/57/11/81/615571181.db2.gz	ZMWPJCCVDMAPPI-MXWKQRLJSA-N	-1	0	270.329	0.688	20	30		CCEDRM
CC[C@@](C)(C#N)C(=O)NC[C@]1(C(=O)[O-])CCCOC1	ZINC000923100394	615587921	/nfs/dbraw/zinc/58/79/21/615587921.db2.gz	LADQQBAHKAZHAN-QWHCGFSZSA-N	-1	0	268.313	0.924	20	30		CCEDRM
CC[C@H](C)[C@H](OC)C(=O)[N-]S(=O)(=O)CCC#N	ZINC000835409426	615702399	/nfs/dbraw/zinc/70/23/99/615702399.db2.gz	WWOYZBJGJOHLNL-IUCAKERBSA-N	-1	0	262.331	0.407	20	30		CCEDRM
CC[C@H](CC#N)NS(=O)(=O)N=[S@](C)(=O)CC	ZINC000867108300	615704884	/nfs/dbraw/zinc/70/48/84/615704884.db2.gz	MBNRUCZIICFAOK-ANRSDYALSA-N	-1	0	267.376	0.631	20	30		CCEDRM
CC[C@H](NC(=O)[O-])C(=O)N1CCSC[C@@H]1C#N	ZINC000833864516	615804763	/nfs/dbraw/zinc/80/47/63/615804763.db2.gz	OPPWKZSXXXYYRV-YUMQZZPRSA-N	-1	0	257.315	0.500	20	30		CCEDRM
CN(C(=O)CN(CC#N)CC(=O)[O-])C1(C#N)CCCCC1	ZINC000830478170	615813550	/nfs/dbraw/zinc/81/35/50/615813550.db2.gz	LGLZTFVHANIMHR-UHFFFAOYSA-N	-1	0	292.339	0.581	20	30		CCEDRM
CN(C(=O)[O-])[C@@H]1CCN(C(=O)CSCC#N)C1	ZINC000827840507	615843368	/nfs/dbraw/zinc/84/33/68/615843368.db2.gz	CJVGAUSHALHSBD-MRVPVSSYSA-N	-1	0	257.315	0.454	20	30		CCEDRM
CCc1nocc1C([O-])=C(C#N)C(=O)NCCCOC	ZINC000860461917	615862599	/nfs/dbraw/zinc/86/25/99/615862599.db2.gz	OYDDKWYQAIQZIC-SECBINFHSA-N	-1	0	279.296	0.712	20	30		CCEDRM
CN(C(=O)[C@](C)(C#N)CC(=O)[O-])[C@H]1CCSC1	ZINC000820517760	615889741	/nfs/dbraw/zinc/88/97/41/615889741.db2.gz	QNADYEDJPAKCQE-KWQFWETISA-N	-1	0	256.327	0.955	20	30		CCEDRM
CN(C)c1ccc(CNC(=O)[C@](C)(C#N)CC(=O)[O-])cn1	ZINC000820547954	616015733	/nfs/dbraw/zinc/01/57/33/616015733.db2.gz	QCBKISANBUNGRD-AWEZNQCLSA-N	-1	0	290.323	0.768	20	30		CCEDRM
CN(CCC(=O)[O-])[C@@H](C(N)=O)c1ccc(C#N)cc1	ZINC000818457268	616069134	/nfs/dbraw/zinc/06/91/34/616069134.db2.gz	FZHDSTGEHJKIKV-GFCCVEGCSA-N	-1	0	261.281	0.491	20	30		CCEDRM
CN(CCNc1ccc(S(N)(=O)=O)cc1C#N)C(=O)[O-]	ZINC000828332869	616097472	/nfs/dbraw/zinc/09/74/72/616097472.db2.gz	XNPXIOKWZJKEBE-UHFFFAOYSA-N	-1	0	298.324	0.227	20	30		CCEDRM
CN(Cc1cccn1C)C(=O)[C@@](C)(C#N)CC(=O)[O-]	ZINC000820607706	616171759	/nfs/dbraw/zinc/17/17/59/616171759.db2.gz	RLYHVIYJLMSKJT-CYBMUJFWSA-N	-1	0	263.297	0.988	20	30		CCEDRM
COC1(C(=O)[N-]S(=O)(=O)CCC#N)CCCCC1	ZINC000835408734	616424836	/nfs/dbraw/zinc/42/48/36/616424836.db2.gz	NCPXIZVCYUELNH-UHFFFAOYSA-N	-1	0	274.342	0.695	20	30		CCEDRM
COCCNC(=O)C(C#N)=C([O-])c1ccc(C)c(C)n1	ZINC000842288314	616491727	/nfs/dbraw/zinc/49/17/27/616491727.db2.gz	IJOVFJBDLRGSGC-NSHDSACASA-N	-1	0	275.308	0.784	20	30		CCEDRM
COCCNC(=O)C(C#N)=C([O-])c1conc1C	ZINC000860467443	616496546	/nfs/dbraw/zinc/49/65/46/616496546.db2.gz	BEHACCXOYSGYFW-MRVPVSSYSA-N	-1	0	251.242	0.068	20	30		CCEDRM
COC(=O)CCCN(C)C(=O)[C@](C)(C#N)CC(=O)[O-]	ZINC000820660222	616529581	/nfs/dbraw/zinc/52/95/81/616529581.db2.gz	AZHKUSIVNBJNHQ-LBPRGKRZSA-N	-1	0	270.285	0.403	20	30		CCEDRM
CNC(=O)[C@H](C#N)C(=O)CC1(NC(=O)[O-])CCC1	ZINC000828521161	616837815	/nfs/dbraw/zinc/83/78/15/616837815.db2.gz	VBBJLPLSWZJOCI-SSDOTTSWSA-N	-1	0	253.258	0.022	20	30		CCEDRM
COCCCS(=O)(=O)N1CCC[C@@H](C#CC(=O)[O-])C1	ZINC000899927665	616927705	/nfs/dbraw/zinc/92/77/05/616927705.db2.gz	ZWCDWRVGDOCXOS-NSHDSACASA-N	-1	0	289.353	0.153	20	30		CCEDRM
CNC(=S)NN=C1Oc2cc([O-])cc(C)c2C1=O	ZINC000915936132	616932197	/nfs/dbraw/zinc/93/21/97/616932197.db2.gz	CIQOGBZFAJUDIY-UHFFFAOYSA-N	-1	0	265.294	0.683	20	30		CCEDRM
COCCN(CC(=O)OC1CCN(CC#N)CC1)C(=O)[O-]	ZINC000828979373	616987803	/nfs/dbraw/zinc/98/78/03/616987803.db2.gz	GGEPEYCOXCLOKW-UHFFFAOYSA-N	-1	0	299.327	0.144	20	30		CCEDRM
COCCN(CCC#N)C(=O)CC1(NC(=O)[O-])CCC1	ZINC000828979380	616992118	/nfs/dbraw/zinc/99/21/18/616992118.db2.gz	GOGJLGICYVYZCD-UHFFFAOYSA-N	-1	0	283.328	0.955	20	30		CCEDRM
COC[C@H](C#N)OC(=O)[C@H]1CCCN(C(=O)[O-])C1	ZINC000833882035	617047024	/nfs/dbraw/zinc/04/70/24/617047024.db2.gz	IKSFLCRJNANGCM-IUCAKERBSA-N	-1	0	256.258	0.458	20	30		CCEDRM
COC[C@H](C#N)OC(=O)[C@H]1CCC[C@H](NC(=O)[O-])C1	ZINC000833883437	617047126	/nfs/dbraw/zinc/04/71/26/617047126.db2.gz	YWLQYCZRMJQCBA-GUBZILKMSA-N	-1	0	270.285	0.895	20	30		CCEDRM
CO[N-]C(=O)CNC(=O)CC1(C#N)CCCCC1	ZINC000832745689	617109940	/nfs/dbraw/zinc/10/99/40/617109940.db2.gz	RBYBBEXFBVXTCU-UHFFFAOYSA-N	-1	0	253.302	0.644	20	30		CCEDRM
CO[C@@H](Cc1ccccc1)C(=O)N[C@@H]1CCN(O)C1=O	ZINC000820137476	617170766	/nfs/dbraw/zinc/17/07/66/617170766.db2.gz	NYSWPFIHNDHWAR-NEPJUHHUSA-N	-1	0	278.308	0.350	20	30		CCEDRM
N#CCCCS(=O)(=O)[N-]C(=O)CCc1ccoc1	ZINC000181284023	625369811	/nfs/dbraw/zinc/36/98/11/625369811.db2.gz	SPVORFFKSAVSFF-UHFFFAOYSA-N	-1	0	270.310	0.962	20	30		CCEDRM
N#CCCCS(=O)(=O)[N-]C(=O)C[C@H]1CCCCO1	ZINC000181289232	625369835	/nfs/dbraw/zinc/36/98/35/625369835.db2.gz	OKDKANFWPGGYRO-SNVBAGLBSA-N	-1	0	274.342	0.695	20	30		CCEDRM
CC(C)OCCCC(=O)[N-]S(=O)(=O)CCCC#N	ZINC000181664311	625376341	/nfs/dbraw/zinc/37/63/41/625376341.db2.gz	YUJAWVPBBHDYOD-UHFFFAOYSA-N	-1	0	276.358	0.941	20	30		CCEDRM
CO[C@H](C)CCC(=O)[N-]S(=O)(=O)CCCC#N	ZINC000183372038	625399069	/nfs/dbraw/zinc/39/90/69/625399069.db2.gz	DNCGKNYNWDHSSB-SECBINFHSA-N	-1	0	262.331	0.551	20	30		CCEDRM
CC(C)CS(=O)(=O)[N-]C(=O)CSCC#N	ZINC000194601396	625593329	/nfs/dbraw/zinc/59/33/29/625593329.db2.gz	JOULKNGRDYPVIJ-UHFFFAOYSA-N	-1	0	250.345	0.345	20	30		CCEDRM
C=CCN(CC(=O)[O-])C(=O)N[C@@H]1CCO[C@H](C)C1	ZINC000235304494	623174079	/nfs/dbraw/zinc/17/40/79/623174079.db2.gz	UDNAZQICZSTTNQ-NXEZZACHSA-N	-1	0	256.302	0.836	20	30		CCEDRM
CCc1nn(C)cc1/C=C\C(=O)c1cnc([O-])n(C)c1=O	ZINC000255687842	623242280	/nfs/dbraw/zinc/24/22/80/623242280.db2.gz	FBUXMCCIYNBPKW-WAYWQWQTSA-N	-1	0	288.307	0.678	20	30		CCEDRM
CCOCCCNC(=O)C(C#N)=C([O-])c1cccn1C	ZINC000124207151	625668306	/nfs/dbraw/zinc/66/83/06/625668306.db2.gz	OBASFJKBIVIIOE-NSHDSACASA-N	-1	0	277.324	0.890	20	30		CCEDRM
C=C(Br)CNC(=O)N[C@](C)(COC)C(=O)[O-]	ZINC000309709992	623842557	/nfs/dbraw/zinc/84/25/57/623842557.db2.gz	WSVYBGGPQGAMIO-SECBINFHSA-N	-1	0	295.133	0.684	20	30		CCEDRM
CC(C)S(=O)(=O)[N-]C(=O)c1cccc(-n2cnnn2)c1	ZINC000049417778	624460603	/nfs/dbraw/zinc/46/06/03/624460603.db2.gz	VHWSNEBRPGGSPB-UHFFFAOYSA-N	-1	0	295.324	0.705	20	30		CCEDRM
CO[C@@H](C)C(=O)[N-]S(=O)(=O)c1ncn(C)c1Cl	ZINC000049502234	624462977	/nfs/dbraw/zinc/46/29/77/624462977.db2.gz	GICUHSUFUNGWCY-YFKPBYRVSA-N	-1	0	281.721	0.754	20	30		CCEDRM
C=C[C@@](C)(CCOC)C(=O)[N-]S(=O)(=O)N1CCCC1	ZINC000187582730	624522036	/nfs/dbraw/zinc/52/20/36/624522036.db2.gz	VJZLDIRQLQYXJU-LBPRGKRZSA-N	-1	0	290.385	0.672	20	30		CCEDRM
C#Cc1ccc(CNC(=O)N2CCO[C@H](C(=O)[O-])C2)cc1	ZINC000840991324	624633884	/nfs/dbraw/zinc/63/38/84/624633884.db2.gz	BJUKWNNSHLEHRL-ZDUSSCGKSA-N	-1	0	288.303	0.663	20	30		CCEDRM
O=C([O-])COc1cccc(C=NN2CCC[C@@H]2CO)c1	ZINC000841660907	630972905	/nfs/dbraw/zinc/97/29/05/630972905.db2.gz	OJSABACVEULITN-GFCCVEGCSA-N	-1	0	278.308	0.941	20	30		CCEDRM
COCCNC(=O)C(C#N)=C([O-])c1ccc(C#N)cc1C	ZINC000178551562	631329689	/nfs/dbraw/zinc/32/96/89/631329689.db2.gz	CNCPFGJRGWPEND-ZDUSSCGKSA-N	-1	0	285.303	0.952	20	30		CCEDRM
N#CCCNS(=O)(=O)c1ccc([O-])c([N+](=O)[O-])c1	ZINC000047826546	631640058	/nfs/dbraw/zinc/64/00/58/631640058.db2.gz	BGVQEEPJPFVEFU-UHFFFAOYSA-N	-1	0	271.254	0.492	20	30		CCEDRM
C[C@@H]1C[C@H]1C(=O)[N-]S(=O)(=O)c1cc(C(N)=O)n(C)c1	ZINC000048518740	631728592	/nfs/dbraw/zinc/72/85/92/631728592.db2.gz	VXPQZKUCVAGFJI-HTRCEHHLSA-N	-1	0	285.325	0.425	20	30		CCEDRM
O=C([N-]S(=O)(=O)N1CCCCC1)[C@@H]1C[C@H]1[N+](=O)[O-]	ZINC000048869649	631849565	/nfs/dbraw/zinc/84/95/65/631849565.db2.gz	LXOCUWIJRPBCEP-HTQZYQBOSA-N	-1	0	277.302	0.339	20	30		CCEDRM
O=C([O-])C#C[C@H]1CCCN(S(=O)(=O)CC2(F)CC2)C1	ZINC000899926379	633923563	/nfs/dbraw/zinc/92/35/63/633923563.db2.gz	LGHWAAZUSWRWTH-SNVBAGLBSA-N	-1	0	289.328	0.618	20	30		CCEDRM
Cn1nc(C(=O)[O-])cc1C=NNCCC(F)(F)F	ZINC000901235788	634211910	/nfs/dbraw/zinc/21/19/10/634211910.db2.gz	JLKWPUDOBKAOFX-UHFFFAOYSA-N	-1	0	264.207	0.994	20	30		CCEDRM
C=CCOCCCNC(=O)c1cccn(CC(=O)[O-])c1=O	ZINC000902069640	634304321	/nfs/dbraw/zinc/30/43/21/634304321.db2.gz	NEOGFBATQAAXGS-UHFFFAOYSA-N	-1	0	294.307	0.255	20	30		CCEDRM
Cc1cn(C(C)(C)C(=O)N[C@H]2CCCN(O)C2=O)cn1	ZINC000908406452	635368063	/nfs/dbraw/zinc/36/80/63/635368063.db2.gz	RCHHSIUUPSGMNL-JTQLQIEISA-N	-1	0	280.328	0.423	20	30		CCEDRM
N#CCSc1ccccc1C(=O)NCc1nnn[n-]1	ZINC000044928195	636867235	/nfs/dbraw/zinc/86/72/35/636867235.db2.gz	YQKLMEGNZJUPDV-UHFFFAOYSA-N	-1	0	274.309	0.745	20	30		CCEDRM
C#CCOCCC(=O)[N-]S(=O)(=O)c1c(C)noc1C	ZINC000165211093	636897243	/nfs/dbraw/zinc/89/72/43/636897243.db2.gz	QHFPJHZFRKMTIF-UHFFFAOYSA-N	-1	0	286.309	0.136	20	30		CCEDRM
C#CCOCCC(=O)[N-]S(=O)(=O)c1cc(C)cc(F)c1	ZINC000167012266	636949378	/nfs/dbraw/zinc/94/93/78/636949378.db2.gz	IGNBBNMQAYHYSC-UHFFFAOYSA-N	-1	0	299.323	0.979	20	30		CCEDRM
N#CC(C(=O)N1CCCC1)=C([O-])c1ccc(C(N)=O)cc1	ZINC000916869118	637930407	/nfs/dbraw/zinc/93/04/07/637930407.db2.gz	AZMLGTOXKJJDSQ-GFCCVEGCSA-N	-1	0	285.303	0.730	20	30		CCEDRM
CCCc1cc(C([O-])=C(C#N)C(=O)NCCOC)n[nH]1	ZINC000916890751	637931213	/nfs/dbraw/zinc/93/12/13/637931213.db2.gz	MAOAPLLHIKWKFL-JTQLQIEISA-N	-1	0	278.312	0.447	20	30		CCEDRM
Cc1nnc([S-])n(N=Cc2cn3ccccc3n2)c1=O	ZINC000918709816	638037712	/nfs/dbraw/zinc/03/77/12/638037712.db2.gz	XTUASFOBTANCQG-UHFFFAOYSA-N	-1	0	286.320	0.765	20	30		CCEDRM
C#CCCCCC(=O)[N-]S(=O)(=O)N1CCCC1	ZINC000180745246	638279051	/nfs/dbraw/zinc/27/90/51/638279051.db2.gz	SYGKTFVVEIUHQQ-UHFFFAOYSA-N	-1	0	258.343	0.637	20	30		CCEDRM
CC(C)OCCC(=O)[N-]S(=O)(=O)c1cnn(C)c1	ZINC000069642945	638398379	/nfs/dbraw/zinc/39/83/79/638398379.db2.gz	MRLPMQMDYVPABA-UHFFFAOYSA-N	-1	0	275.330	0.880	20	30		CCEDRM
N#C[C@@]1(C(=O)N2CC[C@](F)(C(=O)[O-])C2)CCCOC1	ZINC000923067395	640013799	/nfs/dbraw/zinc/01/37/99/640013799.db2.gz	URYGXKAKOOPQKA-NWDGAFQWSA-N	-1	0	270.260	0.332	20	30		CCEDRM
N#C[C@]1(C(=O)N[C@H](CC(F)(F)F)C(=O)[O-])CCCOC1	ZINC000923077600	640015291	/nfs/dbraw/zinc/01/52/91/640015291.db2.gz	UJRHOFYZISBDLW-GMSGAONNSA-N	-1	0	294.229	0.829	20	30		CCEDRM
C[C@]1(C(=O)[O-])CN(C(=O)C2(C#N)CC3(CC3)C2)CCO1	ZINC000923099346	640021338	/nfs/dbraw/zinc/02/13/38/640021338.db2.gz	BDVWYIDSAICSIE-GFCCVEGCSA-N	-1	0	278.308	0.772	20	30		CCEDRM
C[C@@H]1CN(C(=O)[C@]2(C#N)CCCOC2)C[C@H]1CC(=O)[O-]	ZINC000923104122	640025169	/nfs/dbraw/zinc/02/51/69/640025169.db2.gz	MWYGCWMGHKLYFL-GYSYKLTISA-N	-1	0	280.324	0.876	20	30		CCEDRM
N#C[C@]1(C(=O)N2CC[C@H]3[C@@H](C(=O)[O-])[C@H]3C2)CCCOC1	ZINC000923105115	640025312	/nfs/dbraw/zinc/02/53/12/640025312.db2.gz	ZNXRIRLBEBJUNV-FBKDDSFISA-N	-1	0	278.308	0.486	20	30		CCEDRM
C[C@]1(C(=O)[N-]S(=O)(=O)CC2(C#N)CC2)CCCCO1	ZINC000838856657	640276879	/nfs/dbraw/zinc/27/68/79/640276879.db2.gz	RDFJCNAKPYLKHY-LLVKDONJSA-N	-1	0	286.353	0.695	20	30		CCEDRM
N#CCCCCCC(=O)[N-]S(=O)(=O)[C@@H]1CCOC1	ZINC000805882062	640438296	/nfs/dbraw/zinc/43/82/96/640438296.db2.gz	PTGGCGGPXUKQKE-SNVBAGLBSA-N	-1	0	274.342	0.695	20	30		CCEDRM
Cc1[nH]c(CN=Nc2ccc(C(N)=O)nn2)cc1C(=O)[O-]	ZINC000800814613	640621764	/nfs/dbraw/zinc/62/17/64/640621764.db2.gz	YTOSQPITRZMQME-UHFFFAOYSA-N	-1	0	288.267	0.356	20	30		CCEDRM
N#Cc1cccc(C(=O)[N-]S(=O)(=O)C2CCCC2)n1	ZINC000810625461	640942085	/nfs/dbraw/zinc/94/20/85/640942085.db2.gz	BISSRQLOMXSHAM-UHFFFAOYSA-N	-1	0	279.321	0.955	20	30		CCEDRM
N#Cc1cccc(C(=O)[N-]S(=O)(=O)[C@@H]2CCCOC2)n1	ZINC000810662825	640943403	/nfs/dbraw/zinc/94/34/03/640943403.db2.gz	QSTBECVGNRYBCZ-SNVBAGLBSA-N	-1	0	295.320	0.192	20	30		CCEDRM
N#CC1(CS(=O)(=O)[N-]C(=O)[C@H]2CCCSC2)CC1	ZINC000810668936	640944185	/nfs/dbraw/zinc/94/41/85/640944185.db2.gz	GLGLTJLGENBVHZ-VIFPVBQESA-N	-1	0	288.394	0.879	20	30		CCEDRM
Cc1ocnc1C(=O)[N-]S(=O)(=O)c1cncc(C#N)c1	ZINC000813982156	641052271	/nfs/dbraw/zinc/05/22/71/641052271.db2.gz	SRHAOUXDLFYVDI-UHFFFAOYSA-N	-1	0	292.276	0.368	20	30		CCEDRM
Cc1cccc(F)c1NN=C1C(=O)[N-]C(=O)NC1=O	ZINC000814227332	641061312	/nfs/dbraw/zinc/06/13/12/641061312.db2.gz	SMIVVEBTZHLCGH-UHFFFAOYSA-N	-1	0	264.216	0.268	20	30		CCEDRM
O=c1[n-][nH]c(=O)n1N=Cc1cc(Cl)c2c(c1)OCCO2	ZINC000814234418	641062116	/nfs/dbraw/zinc/06/21/16/641062116.db2.gz	XLKRXNVQAQRSDY-UHFFFAOYSA-N	-1	0	296.670	0.996	20	30		CCEDRM
Cc1cc(C)n2c(C=Nn3c(=O)[n-][nH]c3=O)cnc2n1	ZINC000814233676	641062291	/nfs/dbraw/zinc/06/22/91/641062291.db2.gz	BSFWGUTVWQHMGB-UHFFFAOYSA-N	-1	0	273.256	0.231	20	30		CCEDRM
O=c1[n-][nH]c(=O)n1N=Cc1csc([N+](=O)[O-])c1	ZINC000814233372	641062507	/nfs/dbraw/zinc/06/25/07/641062507.db2.gz	MTUPLTAKLPCYLA-UHFFFAOYSA-N	-1	0	255.215	0.541	20	30		CCEDRM
O=c1[n-][nH]c(=O)n1N=Cc1ccccc1N1CCOCC1	ZINC000814232847	641062521	/nfs/dbraw/zinc/06/25/21/641062521.db2.gz	OIGGBQGBAVLRER-UHFFFAOYSA-N	-1	0	289.295	0.408	20	30		CCEDRM
O=C([O-])C1CC(=NN=C2NS(=O)(=O)c3ccccc32)C1	ZINC000814798750	641075175	/nfs/dbraw/zinc/07/51/75/641075175.db2.gz	NBEYLTFQIFEJQM-UHFFFAOYSA-N	-1	0	293.304	0.576	20	30		CCEDRM
C[C@H](Oc1cccc(C=NNCCO)c1)C(=O)[O-]	ZINC000814944632	641083544	/nfs/dbraw/zinc/08/35/44/641083544.db2.gz	RXXVMJLYYBONJN-VIFPVBQESA-N	-1	0	252.270	0.454	20	30		CCEDRM
O=C([O-])CNN=C1C(=O)Nc2cc(Br)ccc21	ZINC000814959009	641084326	/nfs/dbraw/zinc/08/43/26/641084326.db2.gz	FUDWAYZMDAWTHB-UHFFFAOYSA-N	-1	0	298.096	0.780	20	30		CCEDRM
C[C@H]1CCC(=NNCC(=O)[O-])[C@H](n2cncn2)C1	ZINC000814956990	641085110	/nfs/dbraw/zinc/08/51/10/641085110.db2.gz	RJRQBCZZZONAML-WCBMZHEXSA-N	-1	0	251.290	0.669	20	30		CCEDRM
C[C@H](O)CNN=Cc1cccc(O[C@@H](C)C(=O)[O-])c1	ZINC000814963607	641086047	/nfs/dbraw/zinc/08/60/47/641086047.db2.gz	NSUURUNPIXIJSH-UWVGGRQHSA-N	-1	0	266.297	0.843	20	30		CCEDRM
N#CC1(CC(=O)[N-]S(=O)(=O)CC2(C#N)CCC2)CC1	ZINC000816026597	641137317	/nfs/dbraw/zinc/13/73/17/641137317.db2.gz	WNUURXOQRFFMOX-UHFFFAOYSA-N	-1	0	281.337	0.820	20	30		CCEDRM
C[C@@](C#N)(CC(=O)[O-])C(=O)N1CCC[C@@](C)(O)C1	ZINC000820215327	641483620	/nfs/dbraw/zinc/48/36/20/641483620.db2.gz	SCPFJZYCCXUESV-NWDGAFQWSA-N	-1	0	254.286	0.364	20	30		CCEDRM
C#CCO[C@@H](C)C(=O)[N-]S(=O)(=O)C[C@H]1CCCCO1	ZINC000835126482	642648255	/nfs/dbraw/zinc/64/82/55/642648255.db2.gz	HUDJFISTQIFVBL-WDEREUQCSA-N	-1	0	289.353	0.040	20	30		CCEDRM
CO[C@H](Cc1ccccc1)C(=O)[N-]S(=O)(=O)CCC#N	ZINC000835410670	642660515	/nfs/dbraw/zinc/66/05/15/642660515.db2.gz	YCEWPPSCMBTUKX-GFCCVEGCSA-N	-1	0	296.348	0.604	20	30		CCEDRM
C[C@@H](CO)N(C)N=Cc1cccc(OCC(=O)[O-])c1	ZINC000842540014	642909102	/nfs/dbraw/zinc/90/91/02/642909102.db2.gz	GUSNTLDEKHUKCS-JTQLQIEISA-N	-1	0	266.297	0.797	20	30		CCEDRM
C[C@@]1(Cn2c(=O)[n-]cc(C#N)c2=O)CC1(Cl)Cl	ZINC000842618750	642918050	/nfs/dbraw/zinc/91/80/50/642918050.db2.gz	XWXWMZCFGQHPDD-VIFPVBQESA-N	-1	0	274.107	0.992	20	30		CCEDRM
CC#CCS(=O)(=O)[N-]C(=O)c1ccnn1CC(C)C	ZINC000842779290	642949221	/nfs/dbraw/zinc/94/92/21/642949221.db2.gz	CYOKTQSBKYIJGT-UHFFFAOYSA-N	-1	0	283.353	0.622	20	30		CCEDRM
N#CCCS(=O)(=O)[N-]C(=O)Cc1cnn2ccccc12	ZINC000842794586	642951855	/nfs/dbraw/zinc/95/18/55/642951855.db2.gz	WFVTZBVTHYSRLO-UHFFFAOYSA-N	-1	0	292.320	0.236	20	30		CCEDRM
N#Cc1ccc(C(=O)N2CCC(c3n[nH]c(=O)[n-]3)CC2)o1	ZINC000843875088	643121504	/nfs/dbraw/zinc/12/15/04/643121504.db2.gz	JKTPNFXWIFZMDH-UHFFFAOYSA-N	-1	0	287.279	0.995	20	30		CCEDRM
C#CC1CCN(C(=O)c2c[nH]c3nc(=O)[n-]c(=O)c-3c2)CC1	ZINC000844048238	643148003	/nfs/dbraw/zinc/14/80/03/643148003.db2.gz	CNSUOBHJUJXLSH-UHFFFAOYSA-N	-1	0	298.302	0.921	20	30		CCEDRM
C[C@H](CC#N)N(C)S(=O)(=O)N(CC(=O)[O-])C1CC1	ZINC000844795038	643248515	/nfs/dbraw/zinc/24/85/15/643248515.db2.gz	LKTKRRVNUIDBHY-MRVPVSSYSA-N	-1	0	275.330	0.014	20	30		CCEDRM
N#CC(C(=O)NC1CC1)=C([O-])c1ccc2c(n1)OCCO2	ZINC000847624220	643539477	/nfs/dbraw/zinc/53/94/77/643539477.db2.gz	MCOXUSVGNFWBEM-SECBINFHSA-N	-1	0	287.275	0.454	20	30		CCEDRM
C[C@@H](CC#N)C(=O)[N-]S(=O)(=O)c1cccnc1[N+](=O)[O-]	ZINC000851330282	643841569	/nfs/dbraw/zinc/84/15/69/643841569.db2.gz	XULVTEFAYBYWIS-ZETCQYMHSA-N	-1	0	298.280	0.344	20	30		CCEDRM
N#CCCCC(=O)[N-]S(=O)(=O)c1cccnc1[N+](=O)[O-]	ZINC000851330453	643841872	/nfs/dbraw/zinc/84/18/72/643841872.db2.gz	ZKYDTYFYFQIOGX-UHFFFAOYSA-N	-1	0	298.280	0.489	20	30		CCEDRM
C[C@@H]1CN=C(NN=Cc2ccc(C(=O)[O-])c(F)c2)N1	ZINC000853329502	644098468	/nfs/dbraw/zinc/09/84/68/644098468.db2.gz	ANCWRUAYBBVBFC-SSDOTTSWSA-N	-1	0	264.260	0.795	20	30		CCEDRM
C[C@@H]1CN=C(NN=C2C(=O)Nc3cc([O-])c(Cl)cc32)N1	ZINC000853330210	644098861	/nfs/dbraw/zinc/09/88/61/644098861.db2.gz	KOMIGNLNPGGUMB-RXMQYKEDSA-N	-1	0	293.714	0.639	20	30		CCEDRM
N#CC1(CS(=O)(=O)[N-]C(=O)COCC(F)F)CCC1	ZINC000860672671	644820519	/nfs/dbraw/zinc/82/05/19/644820519.db2.gz	ZAPLMILRRSZLST-UHFFFAOYSA-N	-1	0	296.295	0.408	20	30		CCEDRM
C[C@@]1(Br)C[C@H]1C(=O)[N-]S(=O)(=O)CCC#N	ZINC000860751334	644823820	/nfs/dbraw/zinc/82/38/20/644823820.db2.gz	BVAHKZWMDQSFLZ-POYBYMJQSA-N	-1	0	295.158	0.520	20	30		CCEDRM
N#CCCS(=O)(=O)[N-]C(=O)[C@@H]1[C@@H]2Cc3ccccc3[C@@H]21	ZINC000860753310	644826856	/nfs/dbraw/zinc/82/68/56/644826856.db2.gz	VDRHQTYSNAKRPS-FRRDWIJNSA-N	-1	0	290.344	0.932	20	30		CCEDRM
C[C@@]1([N-]C(=O)C(F)(F)F)CCN(c2nccnc2C#N)C1	ZINC000866284754	645512391	/nfs/dbraw/zinc/51/23/91/645512391.db2.gz	SIJWDMPCPYXUFX-LLVKDONJSA-N	-1	0	299.256	0.996	20	30		CCEDRM
C[C@@H](NCc1nnn(C)n1)c1cccc(C#N)c1[O-]	ZINC000866350359	645522229	/nfs/dbraw/zinc/52/22/29/645522229.db2.gz	ZVQUDBUZXBNELA-MRVPVSSYSA-N	-1	0	258.285	0.638	20	30		CCEDRM
C[C@@H]1C[C@@H]1[C@@H]1C[C@@H]1C(=O)N[C@H]1CCCN(O)C1=O	ZINC000868562628	645786659	/nfs/dbraw/zinc/78/66/59/645786659.db2.gz	JPQPZGCNXLJMGF-NMUGVGKYSA-N	-1	0	252.314	0.775	20	30		CCEDRM
N#Cc1ncn(CC(=O)[N-]OCCCC(F)(F)F)n1	ZINC000871213177	646121684	/nfs/dbraw/zinc/12/16/84/646121684.db2.gz	LMEWWBQVDJFRMF-UHFFFAOYSA-N	-1	0	277.206	0.540	20	30		CCEDRM
N#CC(C(=O)NC1CC1)=C([O-])c1cnn2c1CCCC2	ZINC000125613236	646556039	/nfs/dbraw/zinc/55/60/39/646556039.db2.gz	PESRZAAXUQJWBY-JTQLQIEISA-N	-1	0	272.308	0.820	20	30		CCEDRM
Cn1ccnc1C([O-])=C(C#N)C(=O)[C@@H]1CCCCO1	ZINC000132668159	647557784	/nfs/dbraw/zinc/55/77/84/647557784.db2.gz	PMDUQXXWNXIBNF-ZJUUUORDSA-N	-1	0	261.281	0.881	20	30		CCEDRM
CC(=O)CCC(=O)OCc1cc(=O)n2[n-]cc(C#N)c2n1	ZINC000800095918	647622678	/nfs/dbraw/zinc/62/26/78/647622678.db2.gz	QBKQWSIVOZWMAN-UHFFFAOYSA-N	-1	0	288.263	0.719	20	30		CCEDRM
N#Cc1cccc(S(=O)(=O)NC/C=C/C(=O)[O-])c1	ZINC000302099209	648147547	/nfs/dbraw/zinc/14/75/47/648147547.db2.gz	ITKSTQUNEWFMOL-GORDUTHDSA-N	-1	0	266.278	0.477	20	30		CCEDRM
COCCCNC(=O)C(C#N)=C([O-])c1ccc(C)n1C	ZINC000193361240	649534758	/nfs/dbraw/zinc/53/47/58/649534758.db2.gz	IYJROSRPRJSIAJ-NSHDSACASA-N	-1	0	277.324	0.809	20	30		CCEDRM
N#CC(C(=O)NC1CC1)=C([O-])c1ccc(-n2cnnn2)cc1	ZINC000193459960	649541169	/nfs/dbraw/zinc/54/11/69/649541169.db2.gz	HDLNSYDPBLAFST-LBPRGKRZSA-N	-1	0	296.290	0.263	20	30		CCEDRM
CO[C@@H](C)CC(=O)[N-]S(=O)(=O)c1cccc(C#N)c1	ZINC000195491044	649601689	/nfs/dbraw/zinc/60/16/89/649601689.db2.gz	QCTXCSHFPQENPU-VIFPVBQESA-N	-1	0	282.321	0.788	20	30		CCEDRM
CCN(CC)C(=O)CCC(=O)[N-]S(C)(=O)=O	ZINC000088799997	649644636	/nfs/dbraw/zinc/64/46/36/649644636.db2.gz	WDIYSDOBINQUJM-UHFFFAOYSA-N	-1	0	250.320	0.551	20	30		CCEDRM
C=C(Br)CN1C[C@H](O)C[C@@H]1C(=O)[O-]	ZINC000163715572	959243683	/nfs/dbraw/zinc/24/36/83/959243683.db2.gz	XMSHXAMUCXGGDC-RNFRBKRXSA-N	-1	0	250.092	0.415	20	30		CCEDRM
N#CCCN1CC(Oc2nc[n-]c(=O)c2Cl)C1	ZINC001230018398	805575656	/nfs/dbraw/zinc/57/56/56/805575656.db2.gz	RAZLMUDCZXOJNW-UHFFFAOYSA-N	-1	0	254.677	0.812	20	30		CCEDRM
COC(=O)CN(CC(=O)OC)Cc1cc(C#N)ccc1[O-]	ZINC001232679852	805970018	/nfs/dbraw/zinc/97/00/18/805970018.db2.gz	TZUQEUQCBHLVKR-UHFFFAOYSA-N	-1	0	292.291	0.412	20	30		CCEDRM
C=CCN1C(=O)CC[C@]12CCCN(C(=O)C(=O)[O-])CC2	ZINC001143419056	791432831	/nfs/dbraw/zinc/43/28/31/791432831.db2.gz	JAPWMGMHINHBEB-AWEZNQCLSA-N	-1	0	280.324	0.631	20	30		CCEDRM
O=C([O-])C(=O)NC1=C(Cl)C(=O)c2ccccc2C1=O	ZINC001143422499	791462455	/nfs/dbraw/zinc/46/24/55/791462455.db2.gz	HHEOVJCFKZQQMO-UHFFFAOYSA-N	-1	0	279.635	0.717	20	30		CCEDRM
N#Cc1nc(N[C@@H]2CO[N-]C2=O)ccc1C(F)(F)F	ZINC001167511260	791498577	/nfs/dbraw/zinc/49/85/77/791498577.db2.gz	YTIFEGJXPCNNBB-SSDOTTSWSA-N	-1	0	272.186	0.814	20	30		CCEDRM
COC(=O)[C@H](CS)Nc1ccc(C(=O)[O-])nn1	ZINC001167622125	791641927	/nfs/dbraw/zinc/64/19/27/791641927.db2.gz	PVEPCROODSTFHL-LURJTMIESA-N	-1	0	257.271	0.058	20	30		CCEDRM
CC#CCCCC(=O)NCCN(C)Cc1n[nH]c(=O)[n-]1	ZINC001267210981	791679775	/nfs/dbraw/zinc/67/97/75/791679775.db2.gz	OGDWDQLHVSHRSY-UHFFFAOYSA-N	-1	0	279.344	0.252	20	30		CCEDRM
C[C@H]1CCC[C@@H](OCC(=O)[N-]S(=O)(=O)CCC#N)C1	ZINC000835412465	791707535	/nfs/dbraw/zinc/70/75/35/791707535.db2.gz	UJWDHLLNCOMJGG-WDEREUQCSA-N	-1	0	288.369	0.941	20	30		CCEDRM
C#C[C@H](C)OC1=C([O-])C(C(=O)OC)N=C1C(=O)OC	ZINC001234349312	806227788	/nfs/dbraw/zinc/22/77/88/806227788.db2.gz	CBQYZJORCNFHLN-LURJTMIESA-N	-1	0	267.237	0.694	20	30		CCEDRM
Cn1c(=O)[n-]c(N2CCCC3(CC3)C2)c(C#N)c1=O	ZINC001120831556	798945105	/nfs/dbraw/zinc/94/51/05/798945105.db2.gz	GPPBRCDJSBYFNX-UHFFFAOYSA-N	-1	0	260.297	0.326	20	30		CCEDRM
C=C[C@H]1CCCCN1c1[n-]c(=O)n(C)c(=O)c1C#N	ZINC001120927057	798963604	/nfs/dbraw/zinc/96/36/04/798963604.db2.gz	LFEOUEGARNSQFO-VIFPVBQESA-N	-1	0	260.297	0.490	20	30		CCEDRM
C=CCn1c(-c2cc(=O)[nH][n-]2)nnc1N1C[C@H](C)[C@@H](C)C1	ZINC001121561751	799057772	/nfs/dbraw/zinc/05/77/72/799057772.db2.gz	NINDFBIWAKGCNR-UWVGGRQHSA-N	-1	0	288.355	0.780	20	30		CCEDRM
C=CCn1c(-c2noc(=O)[nH]2)nnc1N(CC)CC	ZINC001121578829	799058905	/nfs/dbraw/zinc/05/89/05/799058905.db2.gz	KWNCVWDIRASWCB-UHFFFAOYSA-N	-1	0	264.289	0.654	20	30		CCEDRM
N#CC(C(=O)NC1CC1)=C([O-])c1cc2n(n1)CCCO2	ZINC001122416281	799228451	/nfs/dbraw/zinc/22/84/51/799228451.db2.gz	VUKHBOCSVJKHEB-SECBINFHSA-N	-1	0	274.280	0.267	20	30		CCEDRM
C=CCNC(=O)C(C#N)=C([O-])c1ccc(C(=O)OC)o1	ZINC001122500101	799250228	/nfs/dbraw/zinc/25/02/28/799250228.db2.gz	WIHDHRWAVOZBKJ-QMMMGPOBSA-N	-1	0	276.248	0.691	20	30		CCEDRM
N#CC(C(=O)NC1CC1)=C([O-])c1cnn(C(F)F)c1	ZINC001122516048	799254710	/nfs/dbraw/zinc/25/47/10/799254710.db2.gz	RTKUAHGHUJFYAS-MRVPVSSYSA-N	-1	0	268.223	0.879	20	30		CCEDRM
COc1c(C([O-])=C(C#N)C(=O)NC(C)C)cnn1C	ZINC001122547595	799260227	/nfs/dbraw/zinc/26/02/27/799260227.db2.gz	UVXGACFIPBNOCY-MRVPVSSYSA-N	-1	0	264.285	0.276	20	30		CCEDRM
CC(C)NC(=O)C(C#N)=C([O-])c1cc(Cl)n(C)n1	ZINC001122547359	799260421	/nfs/dbraw/zinc/26/04/21/799260421.db2.gz	QQWPXFXWZPYAEZ-ZETCQYMHSA-N	-1	0	268.704	0.921	20	30		CCEDRM
C#CCOCCN(C)C(=O)c1ccc2oc(=O)nc-2[n-]1	ZINC001124133199	799564115	/nfs/dbraw/zinc/56/41/15/799564115.db2.gz	KTQFEYPUHJBYES-UHFFFAOYSA-N	-1	0	275.264	0.650	20	30		CCEDRM
O=C(N[C@H]1CCN(O)C1=O)c1coc2cc(O)ccc12	ZINC001141380401	800002795	/nfs/dbraw/zinc/00/27/95/800002795.db2.gz	OSNJELBROOZDJW-JTQLQIEISA-N	-1	0	276.248	0.858	20	30		CCEDRM
Nc1cc(F)ccc1C(=O)N[C@H]1CCN(O)C1=O	ZINC001141380165	800003059	/nfs/dbraw/zinc/00/30/59/800003059.db2.gz	HYECQBUQDKBZHS-VIFPVBQESA-N	-1	0	253.233	0.128	20	30		CCEDRM
O=C(N[C@@H]1CCN(O)C1=O)[C@@H]1C[C@H]1C(F)(F)F	ZINC001141380171	800003143	/nfs/dbraw/zinc/00/31/43/800003143.db2.gz	IGMQMHYJQBSJHK-HSUXUTPPSA-N	-1	0	252.192	0.291	20	30		CCEDRM
C=C(C)[C@H](CC(=O)NCc1nc([O-])cc(=O)[nH]1)OCC	ZINC001149284004	800242301	/nfs/dbraw/zinc/24/23/01/800242301.db2.gz	LNQQGJQLQBBTRT-VIFPVBQESA-N	-1	0	281.312	0.875	20	30		CCEDRM
Cc1cc(C#N)c(=O)[n-]c1C(=O)N[C@H](C)CCCO	ZINC001150451488	800336201	/nfs/dbraw/zinc/33/62/01/800336201.db2.gz	HVFTXAGGKKCWQZ-SECBINFHSA-N	-1	0	263.297	0.858	20	30		CCEDRM
N#Cc1cc(C(=O)N2CC[C@H](c3nnn[n-]3)C2)c[nH]1	ZINC001153000951	800578926	/nfs/dbraw/zinc/57/89/26/800578926.db2.gz	HODRWUYXYVZIMS-ZETCQYMHSA-N	-1	0	257.257	0.029	20	30		CCEDRM
COc1nc(N[C@@H]2SC(=O)[N-]C2=O)ncc1C#N	ZINC001155836103	801061268	/nfs/dbraw/zinc/06/12/68/801061268.db2.gz	BURUPTLZBFHCMI-SSDOTTSWSA-N	-1	0	265.254	0.078	20	30		CCEDRM
N#Cc1c(F)ccnc1N[C@H]1SC(=O)[N-]C1=O	ZINC001155840836	801063414	/nfs/dbraw/zinc/06/34/14/801063414.db2.gz	BAPTXFDBSLKRCN-QMMMGPOBSA-N	-1	0	252.230	0.813	20	30		CCEDRM
N#Cc1ccnc(N[C@@H]2SC(=O)[N-]C2=O)c1F	ZINC001155844062	801064127	/nfs/dbraw/zinc/06/41/27/801064127.db2.gz	ULWSINCDOBUPRZ-MRVPVSSYSA-N	-1	0	252.230	0.813	20	30		CCEDRM
CC[C@@H](NC(=O)c1[n-]c(=O)c(C#N)cc1C)[C@H](C)O	ZINC001157766769	801475522	/nfs/dbraw/zinc/47/55/22/801475522.db2.gz	NBQJHZJXBRZJKO-WCBMZHEXSA-N	-1	0	263.297	0.857	20	30		CCEDRM
C=C[C@@H](O)C(=O)N[C@@H](c1nc(=O)o[n-]1)C(C)(C)C	ZINC001162936939	802440331	/nfs/dbraw/zinc/44/03/31/802440331.db2.gz	VYGBQKCZMLTDNK-RQJHMYQMSA-N	-1	0	255.274	0.113	20	30		CCEDRM
C=CCS(=O)(=O)[N-]c1nonc1C(=O)OCC	ZINC001259922373	808804447	/nfs/dbraw/zinc/80/44/47/808804447.db2.gz	DCIRLUSUZONEFD-UHFFFAOYSA-N	-1	0	261.259	0.174	20	30		CCEDRM
COCCS(=O)(=O)[N-]C1=C(C#N)C(=O)CS1	ZINC001259966159	808829478	/nfs/dbraw/zinc/82/94/78/808829478.db2.gz	NQFCNHPEVRMUJV-UHFFFAOYSA-N	-1	0	262.312	0.713	20	30		CCEDRM
N#Cc1cnccc1[N-]S(=O)(=O)c1cncc(N)c1	ZINC001214009406	803710422	/nfs/dbraw/zinc/71/04/22/803710422.db2.gz	BIVHMXTUTWJGLM-UHFFFAOYSA-N	-1	0	275.293	0.153	20	30		CCEDRM
C=CCC[C@H](NC(=O)COc1cc(C)on1)C(=O)[O-]	ZINC000315854159	804651753	/nfs/dbraw/zinc/65/17/53/804651753.db2.gz	HQTWSFRCBXAVGG-VIFPVBQESA-N	-1	0	268.269	0.897	20	30		CCEDRM
C=CCC[C@H](NC(=O)NC1CCOCC1)C(=O)[O-]	ZINC000316010272	804662978	/nfs/dbraw/zinc/66/29/78/804662978.db2.gz	IFKHFYYOLLGXER-JTQLQIEISA-N	-1	0	256.302	0.884	20	30		CCEDRM
C=CCOC[C@H](CS(=O)(=O)[O-])OCc1ncon1	ZINC001222894714	804939318	/nfs/dbraw/zinc/93/93/18/804939318.db2.gz	BAVBCMWXYBYDCJ-MRVPVSSYSA-N	-1	0	278.286	0.045	20	30		CCEDRM
C=CCOC[C@H](CS(=O)(=O)[O-])OCc1nccn1C	ZINC001222936836	804940122	/nfs/dbraw/zinc/94/01/22/804940122.db2.gz	JQDVVIHBFMCRSZ-SNVBAGLBSA-N	-1	0	290.341	0.396	20	30		CCEDRM
N#Cc1ccc(C(=O)N[C@@H]2[C@H]3CC[C@H](C3)[C@@H]2C(N)=O)c([O-])c1	ZINC001276864548	804955135	/nfs/dbraw/zinc/95/51/35/804955135.db2.gz	AFLSPNWKAIRMCW-XXSPCDMZSA-N	-1	0	299.330	0.894	20	30		CCEDRM
C=C(C)C[C@H](Oc1c([O-])c(=O)c(=O)c1=O)C(=C)C	ZINC001225830053	805167134	/nfs/dbraw/zinc/16/71/34/805167134.db2.gz	DIGOMKDPZPCDCL-QMMMGPOBSA-N	-1	0	250.250	0.638	20	30		CCEDRM
N#Cc1c(F)cccc1OC(=O)[C@@H](O)CC(=O)[O-]	ZINC001225976572	805183268	/nfs/dbraw/zinc/18/32/68/805183268.db2.gz	ZVSAYZUSEXVHCV-QMMMGPOBSA-N	-1	0	253.185	0.438	20	30		CCEDRM
N#CCCN1CC(Oc2[n-]c(=O)c(F)cc2C#N)C1	ZINC001226008426	805185653	/nfs/dbraw/zinc/18/56/53/805185653.db2.gz	HJEFOEBVOCWABJ-UHFFFAOYSA-N	-1	0	262.244	0.775	20	30		CCEDRM
N#Cc1cc(F)c(=O)[n-]c1O[C@H]1CCS(=O)(=O)C1	ZINC001226009009	805186318	/nfs/dbraw/zinc/18/63/18/805186318.db2.gz	PTYWLZJHLIKVOX-ZETCQYMHSA-N	-1	0	272.257	0.364	20	30		CCEDRM
C=CCCC(=O)NC1CCN(Cc2n[nH]c(=O)[n-]2)CC1	ZINC001226527792	805242901	/nfs/dbraw/zinc/24/29/01/805242901.db2.gz	OHWIIRVUDZSZPK-UHFFFAOYSA-N	-1	0	279.344	0.557	20	30		CCEDRM
Cc1ccnc(OC(=O)[C@H](O)CC(=O)[O-])c1C#N	ZINC001228304576	805431220	/nfs/dbraw/zinc/43/12/20/805431220.db2.gz	FTIGWBWHUQCLEC-MRVPVSSYSA-N	-1	0	250.210	0.003	20	30		CCEDRM
CCOC(=O)C[C@@H](CC#N)Oc1[nH]c(=O)[n-]c(=O)c1F	ZINC001229120696	805505973	/nfs/dbraw/zinc/50/59/73/805505973.db2.gz	WFGVNWMCMIYZDF-ZCFIWIBFSA-N	-1	0	285.231	0.641	20	30		CCEDRM
Cc1cccc(C#N)c1OC(=O)[C@H](O)CCC(=O)[O-]	ZINC001229179900	805510876	/nfs/dbraw/zinc/51/08/76/805510876.db2.gz	PZESGTOCVVUCOA-SNVBAGLBSA-N	-1	0	263.249	0.998	20	30		CCEDRM
C=CCc1ccc(O)c(OC(=O)[C@@H](O)CC(=O)[O-])c1	ZINC001229341130	805523171	/nfs/dbraw/zinc/52/31/71/805523171.db2.gz	GIRKUAROVOSCFY-JTQLQIEISA-N	-1	0	266.249	0.862	20	30		CCEDRM
Cc1nc(O[C@H]2CCN(CC#N)C2)c([N+](=O)[O-])c(=O)[n-]1	ZINC001229381662	805526373	/nfs/dbraw/zinc/52/63/73/805526373.db2.gz	OGXQVSXJGVGZIZ-QMMMGPOBSA-N	-1	0	279.256	0.376	20	30		CCEDRM
CN(C)S(=O)(=O)[N-]c1ccc(Cl)nc1C#N	ZINC001251049700	807656529	/nfs/dbraw/zinc/65/65/29/807656529.db2.gz	ZZEDQICYWGQSDW-UHFFFAOYSA-N	-1	0	260.706	0.825	20	30		CCEDRM
CN(C)S(=O)(=O)[N-]c1c(C#N)cccc1C#N	ZINC001251078168	807661098	/nfs/dbraw/zinc/66/10/98/807661098.db2.gz	GOPZZDGEHTZQAA-UHFFFAOYSA-N	-1	0	250.283	0.648	20	30		CCEDRM
C=CCOC[C@@H](O)CNc1cc(=O)[n-]c(Cl)n1	ZINC001252456456	807871828	/nfs/dbraw/zinc/87/18/28/807871828.db2.gz	RPOOHFBDUJYREJ-ZETCQYMHSA-N	-1	0	259.693	0.811	20	30		CCEDRM
C#CC[S@](=O)Cc1cn(-c2cncc(C(=O)[O-])c2)nn1	ZINC001254096460	808181767	/nfs/dbraw/zinc/18/17/67/808181767.db2.gz	WMCZINBEADZIJI-FQEVSTJZSA-N	-1	0	290.304	0.242	20	30		CCEDRM
COC(=O)CS(=O)(=O)[N-]c1cc(Cl)cnc1C#N	ZINC001259020382	808707487	/nfs/dbraw/zinc/70/74/87/808707487.db2.gz	RDTQISJYUHPYFR-UHFFFAOYSA-N	-1	0	289.700	0.521	20	30		CCEDRM
Cn1cnc(S(=O)(=O)[N-]c2c(O)cccc2C#N)c1	ZINC001258999881	808712571	/nfs/dbraw/zinc/71/25/71/808712571.db2.gz	BDOKMEWVNOARHC-UHFFFAOYSA-N	-1	0	278.293	0.798	20	30		CCEDRM
COC(=O)CS(=O)(=O)[N-]c1ccc(OC)cc1C#N	ZINC001259024478	808722143	/nfs/dbraw/zinc/72/21/43/808722143.db2.gz	SFABNXLJQLPKJL-UHFFFAOYSA-N	-1	0	284.293	0.482	20	30		CCEDRM
N#Cc1cccc(S(=O)(=O)[N-]c2cc3n(n2)CCO3)c1	ZINC001259118911	808732388	/nfs/dbraw/zinc/73/23/88/808732388.db2.gz	WIXCDKMQHDWBJZ-UHFFFAOYSA-N	-1	0	290.304	0.948	20	30		CCEDRM
Cn1ncc([N-]S(=O)(=O)c2cccc(C#N)c2)c1C#N	ZINC001259118471	808732652	/nfs/dbraw/zinc/73/26/52/808732652.db2.gz	IEXAVAHYSOLERM-UHFFFAOYSA-N	-1	0	287.304	0.964	20	30		CCEDRM
CCOC(=O)[C@@H](C#N)[N-]S(=O)(=O)C1CCCC1	ZINC001259805012	808772716	/nfs/dbraw/zinc/77/27/16/808772716.db2.gz	BOVQMPYZPCPDJT-SECBINFHSA-N	-1	0	260.315	0.304	20	30		CCEDRM
CCn1cc(S(=O)(=O)[N-]c2c(C#N)ncn2C)cn1	ZINC001259833255	808782740	/nfs/dbraw/zinc/78/27/40/808782740.db2.gz	LTKARVJTCYDDGT-UHFFFAOYSA-N	-1	0	280.313	0.309	20	30		CCEDRM
C=CCS(=O)(=O)[N-]c1nc(OC)ccc1C(=O)OC	ZINC001259924319	808805398	/nfs/dbraw/zinc/80/53/98/808805398.db2.gz	QVNPGZBWBGOGDK-UHFFFAOYSA-N	-1	0	286.309	0.805	20	30		CCEDRM
C=CCS(=O)(=O)[N-]c1nnccc1C(=O)OCC	ZINC001259923446	808805563	/nfs/dbraw/zinc/80/55/63/808805563.db2.gz	KFWGUKVKPCHEGZ-UHFFFAOYSA-N	-1	0	271.298	0.581	20	30		CCEDRM
Cn1cnc([N-]S(=O)(=O)Cc2ccc(C#N)cc2)n1	ZINC001260037287	808836779	/nfs/dbraw/zinc/83/67/79/808836779.db2.gz	HAUKWRZBRXSRIS-UHFFFAOYSA-N	-1	0	277.309	0.629	20	30		CCEDRM
N#Cc1ccc(CS(=O)(=O)NCc2cc(=O)[n-]o2)cc1	ZINC001260046171	808838386	/nfs/dbraw/zinc/83/83/86/808838386.db2.gz	HBQZUBOBQIJZDD-UHFFFAOYSA-N	-1	0	293.304	0.871	20	30		CCEDRM
Cc1cc(C#N)c([N-]S(=O)(=O)CS(C)(=O)=O)s1	ZINC001260583701	808868840	/nfs/dbraw/zinc/86/88/40/808868840.db2.gz	KMELLWZNSSKLAD-UHFFFAOYSA-N	-1	0	294.379	0.672	20	30		CCEDRM
C=CCC(F)(F)C(=O)[N-]S(=O)(=O)N(CC)CC	ZINC001261243910	808937677	/nfs/dbraw/zinc/93/76/77/808937677.db2.gz	WHQMURKKUCIXHW-UHFFFAOYSA-N	-1	0	270.301	0.901	20	30		CCEDRM
Cc1n[nH]c(C(=O)NCC[C@H](C)NC(=O)[C@@H](C)C#N)c1[O-]	ZINC001076165634	815254212	/nfs/dbraw/zinc/25/42/12/815254212.db2.gz	JEEJWYUMPDGEAN-YUMQZZPRSA-N	-1	0	293.327	0.208	20	30		CCEDRM
C#CCCS(=O)(=O)[N-][C@H](CCO)C(F)(F)F	ZINC001262076783	809184311	/nfs/dbraw/zinc/18/43/11/809184311.db2.gz	GZTOMFHUWRNYKR-SSDOTTSWSA-N	-1	0	259.249	0.242	20	30		CCEDRM
C#CCN1CCC[C@H]1C(=O)N[C@H]1C[C@@H](C(=O)[O-])[C@@H]2C[C@@H]21	ZINC001262195273	809235627	/nfs/dbraw/zinc/23/56/27/809235627.db2.gz	VTVFLTDVPNNEMM-FHUSYTEZSA-N	-1	0	276.336	0.309	20	30		CCEDRM
C[C@H]1CN(c2[n-]c(=O)n(C)c(=O)c2C#N)C(C)(C)C1	ZINC001262685541	809394129	/nfs/dbraw/zinc/39/41/29/809394129.db2.gz	FJKJDWHRJNHXAT-MRVPVSSYSA-N	-1	0	262.313	0.570	20	30		CCEDRM
CC(C)(C#N)C(=O)N1CCC[C@@H](Cc2nnn[n-]2)C1	ZINC001263911136	809605506	/nfs/dbraw/zinc/60/55/06/809605506.db2.gz	BJZQOKNHZKTLJF-VIFPVBQESA-N	-1	0	262.317	0.531	20	30		CCEDRM
C=C(C)CCC(=O)NC1CN(Cc2n[nH]c(=O)[n-]2)C1	ZINC001267648006	811615550	/nfs/dbraw/zinc/61/55/50/811615550.db2.gz	ODWVNLSGSFKGPA-UHFFFAOYSA-N	-1	0	265.317	0.167	20	30		CCEDRM
C=CCOCCNC(=O)c1cccc(-n2[n-]nnc2=N)c1	ZINC001167756390	811891306	/nfs/dbraw/zinc/89/13/06/811891306.db2.gz	BMRYKPNILMKQIG-UHFFFAOYSA-N	-1	0	288.311	0.007	20	30		CCEDRM
C=C[C@H](CC)CC(=O)NCC1CN(Cc2n[nH]c(=O)[n-]2)C1	ZINC001268867927	813124289	/nfs/dbraw/zinc/12/42/89/813124289.db2.gz	WRWPPRYTAVENDI-SNVBAGLBSA-N	-1	0	293.371	0.661	20	30		CCEDRM
CC[C@@H]1[C@@H](NC(=O)c2[nH]nc(C)c2[O-])CCN1CC#N	ZINC001087544230	814127196	/nfs/dbraw/zinc/12/71/96/814127196.db2.gz	ZUXVVQFHVORQKJ-VHSXEESVSA-N	-1	0	277.328	0.530	20	30		CCEDRM
C#C[C@H](Oc1nnc(C(=O)OC)[n-]1)c1ccncc1	ZINC001228314940	814671847	/nfs/dbraw/zinc/67/18/47/814671847.db2.gz	VDMCHAMJPMYCID-VIFPVBQESA-N	-1	0	258.237	0.740	20	30		CCEDRM
C=C(C)CN1CC(N(C)C(=O)c2n[nH]c(C)c2[O-])C1	ZINC001042620243	814750682	/nfs/dbraw/zinc/75/06/82/814750682.db2.gz	ZYAKNLDUNRXLOC-UHFFFAOYSA-N	-1	0	264.329	0.756	20	30		CCEDRM
C=C(C)C(=O)OC[C@H](C)OCCCS(=O)(=O)[O-]	ZINC001224892817	815642342	/nfs/dbraw/zinc/64/23/42/815642342.db2.gz	DGXZQYCCCNPDHI-VIFPVBQESA-N	-1	0	266.315	0.789	20	30		CCEDRM
CCc1cc(C)c(C#N)c(OC(=O)[C@@H](O)CC(=O)[O-])n1	ZINC001233554096	816335718	/nfs/dbraw/zinc/33/57/18/816335718.db2.gz	QFEKIPAAWILCCD-JTQLQIEISA-N	-1	0	278.264	0.565	20	30		CCEDRM
C=CCOC[C@H](NC(=O)[C@@H]1CCOC(C)(C)C1)C(=O)[O-]	ZINC001123380097	816945011	/nfs/dbraw/zinc/94/50/11/816945011.db2.gz	KVOKRPHKQOOTJS-MNOVXSKESA-N	-1	0	285.340	0.964	20	30		CCEDRM
C=CCCCC(=O)[N-]S(=O)(=O)C[C@@H]1CCCO1	ZINC000180204155	817322850	/nfs/dbraw/zinc/32/28/50/817322850.db2.gz	CIVBFYXGANJPSO-JTQLQIEISA-N	-1	0	261.343	0.968	20	30		CCEDRM
C=CCN1CCO[C@H](CNC(=O)c2[nH]nc(C)c2[O-])C1	ZINC001035337076	819478467	/nfs/dbraw/zinc/47/84/67/819478467.db2.gz	PMTXGXXDYOYSQI-SNVBAGLBSA-N	-1	0	280.328	0.040	20	30		CCEDRM
C=CC[C@@H](NC(=O)[C@@H](O)Cc1ccccc1)C(=O)[O-]	ZINC001119580045	821375888	/nfs/dbraw/zinc/37/58/88/821375888.db2.gz	JQJGMIPJBNUEAA-NEPJUHHUSA-N	-1	0	263.293	0.736	20	30		CCEDRM
C=CCCC[C@H](NC(=O)[C@H](C)N1CCN(C)CC1)C(=O)[O-]	ZINC001119586324	821378325	/nfs/dbraw/zinc/37/83/25/821378325.db2.gz	FBOPQAPCCUEHEN-STQMWFEESA-N	-1	0	297.399	0.548	20	30		CCEDRM
N#CC1(CS(=O)(=O)[N-]C(=O)[C@@H]2[C@H]3CCCO[C@H]32)CC1	ZINC000793203617	837406630	/nfs/dbraw/zinc/40/66/30/837406630.db2.gz	FELGDRZIRHMNBQ-OPRDCNLKSA-N	-1	0	284.337	0.161	20	30		CCEDRM
N#Cc1cc(-c2ncccc2S(N)(=O)=O)ccc1O	ZINC001242561787	836698528	/nfs/dbraw/zinc/69/85/28/836698528.db2.gz	CGUGGBSNOXOOEW-UHFFFAOYSA-N	-1	0	275.289	0.973	20	30		CCEDRM
C[C@H]1CN(C(=O)c2cnc[nH]c2=O)CC[C@H]1CNCC#N	ZINC001184629538	844269300	/nfs/dbraw/zinc/26/93/00/844269300.db2.gz	HZUWDSPLZWLDDD-QWRGUYRKSA-N	-1	0	289.339	0.394	20	30		CCEDRM
N#CCCCCNC(=O)CCn1cc(C#N)c(=O)[n-]c1=O	ZINC001144796678	840144426	/nfs/dbraw/zinc/14/44/26/840144426.db2.gz	DIXCKZQGKAGWEO-UHFFFAOYSA-N	-1	0	289.295	0.021	20	30		CCEDRM
C#C[C@@H](C)NC(=O)c1cc(=O)n(-c2ccccc2)[n-]1	ZINC001147890099	840704767	/nfs/dbraw/zinc/70/47/67/840704767.db2.gz	YQJJMLUXYVRKBN-SNVBAGLBSA-N	-1	0	255.277	0.917	20	30		CCEDRM
C[C@H](C#N)c1cccc(C(=O)NCc2nnn[n-]2)c1	ZINC001148622709	840868776	/nfs/dbraw/zinc/86/87/76/840868776.db2.gz	OJZVBPPUELUUNO-MRVPVSSYSA-N	-1	0	256.269	0.757	20	30		CCEDRM
COc1cc(C(=O)[O-])ccc1N=C(NO)c1nonc1N	ZINC001174671040	842197578	/nfs/dbraw/zinc/19/75/78/842197578.db2.gz	PUTAGRVDWILUKA-UHFFFAOYSA-N	-1	0	293.239	0.416	20	30		CCEDRM
Cn1ccc(C(=O)N2CCO[C@@H](C#N)C2)c1CC(=O)[O-]	ZINC001177365296	842568723	/nfs/dbraw/zinc/56/87/23/842568723.db2.gz	QVECVZNPNAOUHJ-VIFPVBQESA-N	-1	0	277.280	0.017	20	30		CCEDRM
COC(=O)C1(C#N)CCN(C(=O)c2ccncc2[O-])CC1	ZINC001188636364	844941280	/nfs/dbraw/zinc/94/12/80/844941280.db2.gz	HCWDDQWRSKKSJQ-UHFFFAOYSA-N	-1	0	289.291	0.706	20	30		CCEDRM
COC(=O)c1scc(C#N)c1[N-]C(=O)c1nc[nH]n1	ZINC001188690257	844949803	/nfs/dbraw/zinc/94/98/03/844949803.db2.gz	DXYYXSIVURPEGJ-UHFFFAOYSA-N	-1	0	277.265	0.777	20	30		CCEDRM
C#Cc1ccc(C(=O)n2[n-]c3ccnc(=O)c-3c2N)cc1	ZINC001188743070	844964901	/nfs/dbraw/zinc/96/49/01/844964901.db2.gz	YGRZMYIGCOYVQG-UHFFFAOYSA-N	-1	0	278.271	0.928	20	30		CCEDRM
CC[C@@H](C#N)[N-]S(=O)(=O)c1ncc(F)cc1F	ZINC001190204980	845365572	/nfs/dbraw/zinc/36/55/72/845365572.db2.gz	FRKMQLBXLRMAQS-ZETCQYMHSA-N	-1	0	261.253	0.940	20	30		CCEDRM
Cn1nncc1[N-]S(=O)(=O)c1cc(C#N)ccc1F	ZINC001190619180	845436167	/nfs/dbraw/zinc/43/61/67/845436167.db2.gz	AKNIGQZQCATFNM-UHFFFAOYSA-N	-1	0	281.272	0.627	20	30		CCEDRM
Cc1nsc([N-]S(=O)(=O)c2ncc[nH]2)c1C#N	ZINC001190682270	845463698	/nfs/dbraw/zinc/46/36/98/845463698.db2.gz	ZTRKDFVIMXDFNI-UHFFFAOYSA-N	-1	0	269.311	0.847	20	30		CCEDRM
N#CCC1(NS(=O)(=O)c2ncc[n-]2)CCCC1	ZINC001190762554	845475464	/nfs/dbraw/zinc/47/54/64/845475464.db2.gz	LXBDVYJTJDSKNL-UHFFFAOYSA-N	-1	0	254.315	0.914	20	30		CCEDRM
C#Cc1ccccc1C(=O)Nc1[nH]c(=O)nc2[nH]c(=O)[nH]c21	ZINC001191116466	845584469	/nfs/dbraw/zinc/58/44/69/845584469.db2.gz	HXIUDTAYLKQGJG-UHFFFAOYSA-N	-1	0	295.258	0.949	20	30		CCEDRM
CCOC(=O)[C@H](C#N)NC(=O)c1ccc([O-])c(F)c1F	ZINC001192841800	845919281	/nfs/dbraw/zinc/91/92/81/845919281.db2.gz	BSBXISCDXOQXNI-ZETCQYMHSA-N	-1	0	284.218	0.855	20	30		CCEDRM
N#CCS(=O)(=O)Nc1cc(=O)n(-c2ccccc2)[n-]1	ZINC001192942988	845930359	/nfs/dbraw/zinc/93/03/59/845930359.db2.gz	GEKVBVNMABFXOC-UHFFFAOYSA-N	-1	0	278.293	0.843	20	30		CCEDRM
COC(=O)c1ccc([N-]S(=O)(=O)CC#N)cc1OC	ZINC001192972355	845957733	/nfs/dbraw/zinc/95/77/33/845957733.db2.gz	UHBDQQFWXMJACT-UHFFFAOYSA-N	-1	0	284.293	0.747	20	30		CCEDRM
COc1ncnc(OC)c1[N-]S(=O)(=O)[C@H](C)C#N	ZINC001193104436	845979175	/nfs/dbraw/zinc/97/91/75/845979175.db2.gz	IJTKFKHRYCOTFP-ZCFIWIBFSA-N	-1	0	272.286	0.148	20	30		CCEDRM
C[C@H](C#N)S(=O)(=O)[N-]c1ncccc1N1CCOCC1	ZINC001193113020	845982621	/nfs/dbraw/zinc/98/26/21/845982621.db2.gz	XMGOLSCWWQAPNI-SNVBAGLBSA-N	-1	0	296.352	0.572	20	30		CCEDRM
Cc1nsc([N-]S(=O)(=O)[C@@H](C)C#N)c1C#N	ZINC001193094500	845993226	/nfs/dbraw/zinc/99/32/26/845993226.db2.gz	DNARIINXULFNPZ-YFKPBYRVSA-N	-1	0	256.312	0.977	20	30		CCEDRM
C[C@@H](C#N)S(=O)(=O)[N-]c1cc(CO)ccc1F	ZINC001193146712	846004328	/nfs/dbraw/zinc/00/43/28/846004328.db2.gz	RLRYVXCQIBPJAM-ZETCQYMHSA-N	-1	0	258.274	0.972	20	30		CCEDRM
C[C@@H](C#N)S(=O)(=O)[N-]c1cc(F)cc(C(N)=O)c1	ZINC001193150046	846006478	/nfs/dbraw/zinc/00/64/78/846006478.db2.gz	CIGRFNCWMLDPEF-LURJTMIESA-N	-1	0	271.273	0.578	20	30		CCEDRM
C[C@H](C#N)S(=O)(=O)[N-]c1c(F)cccc1C(N)=O	ZINC001193160562	846009830	/nfs/dbraw/zinc/00/98/30/846009830.db2.gz	FLPSSXQOIQPZAR-ZCFIWIBFSA-N	-1	0	271.273	0.578	20	30		CCEDRM
CCOC(=O)[C@H]([N-]S(=O)(=O)[C@@H](C)C#N)c1cccnc1	ZINC001193182580	846026508	/nfs/dbraw/zinc/02/65/08/846026508.db2.gz	OMLLDIGHIHJWOL-GXSJLCMTSA-N	-1	0	297.336	0.517	20	30		CCEDRM
CCOC(=O)[C@@H]([N-]S(=O)(=O)[C@@H](C)C#N)c1ccccn1	ZINC001193182969	846027496	/nfs/dbraw/zinc/02/74/96/846027496.db2.gz	UXXGZJYPTVBWNB-ONGXEEELSA-N	-1	0	297.336	0.517	20	30		CCEDRM
N#Cc1cc(C(=O)Nc2ncnc3n[nH]nc32)ccc1[O-]	ZINC001193493341	846091693	/nfs/dbraw/zinc/09/16/93/846091693.db2.gz	DEIDPHCFBMCZPD-UHFFFAOYSA-N	-1	0	281.235	0.577	20	30		CCEDRM
N#Cc1cc(C(=O)N=c2ncnc3[nH][nH]cc2-3)ccc1[O-]	ZINC001193494262	846093941	/nfs/dbraw/zinc/09/39/41/846093941.db2.gz	JNEDUNJGORBZSV-UHFFFAOYSA-N	-1	0	280.247	0.556	20	30		CCEDRM
C[C@]1(CO)CCN(C(=O)c2ccc([O-])c(C#N)c2)C[C@@H]1O	ZINC001193505830	846101257	/nfs/dbraw/zinc/10/12/57/846101257.db2.gz	JGMOBMVCZGPWPU-DZGCQCFKSA-N	-1	0	290.319	0.469	20	30		CCEDRM
N#Cc1cc(C(=O)NC[C@H]2CCC(=O)N2)ccc1[O-]	ZINC001193512324	846102767	/nfs/dbraw/zinc/10/27/67/846102767.db2.gz	MIZKUHKDXANWIX-SNVBAGLBSA-N	-1	0	259.265	0.272	20	30		CCEDRM
COC(=O)[C@@H]1C[C@@H]1CNC(=O)c1ccc([O-])c(C#N)c1	ZINC001193514159	846103706	/nfs/dbraw/zinc/10/37/06/846103706.db2.gz	CCUJCQPFFBWKLI-GHMZBOCLSA-N	-1	0	274.276	0.803	20	30		CCEDRM
CS(=O)(=O)CCNC(=O)c1cccc(C#N)c1[O-]	ZINC001193635333	846131431	/nfs/dbraw/zinc/13/14/31/846131431.db2.gz	RQQQTKLMGCRBIR-UHFFFAOYSA-N	-1	0	268.294	0.038	20	30		CCEDRM
N#Cc1cccc(C(=O)N2CC(=O)N(C3CC3)C(=O)C2)c1[O-]	ZINC001193642207	846135149	/nfs/dbraw/zinc/13/51/49/846135149.db2.gz	DDWACEZXLYKDMB-UHFFFAOYSA-N	-1	0	299.286	0.237	20	30		CCEDRM
N#Cc1cccc(C(=O)NC[C@@H]2CNC(=O)O2)c1[O-]	ZINC001193660034	846139380	/nfs/dbraw/zinc/13/93/80/846139380.db2.gz	RYZOCYLGIGOIHP-MRVPVSSYSA-N	-1	0	261.237	0.102	20	30		CCEDRM
N#Cc1cnc([N-]S(=O)(=O)c2ccccc2N)cn1	ZINC001193886012	846165427	/nfs/dbraw/zinc/16/54/27/846165427.db2.gz	NNPUHNJYJMHFMM-UHFFFAOYSA-N	-1	0	275.293	0.731	20	30		CCEDRM
Cn1cc([N-]S(=O)(=O)C2CCC(=O)CC2)c(C#N)n1	ZINC001194758871	846389867	/nfs/dbraw/zinc/38/98/67/846389867.db2.gz	AUCXJCAJVWDURM-UHFFFAOYSA-N	-1	0	282.325	0.545	20	30		CCEDRM
N#Cc1ccc(C(=O)n2c(N)c(F)ccc2=N)c([O-])c1	ZINC001195733495	846605027	/nfs/dbraw/zinc/60/50/27/846605027.db2.gz	POBCDKBGVPUKSL-UHFFFAOYSA-N	-1	0	272.239	0.955	20	30		CCEDRM
N#Cc1ccc(C(=O)NC[C@H]2CNC(=O)O2)c([O-])c1	ZINC001195768194	846615135	/nfs/dbraw/zinc/61/51/35/846615135.db2.gz	IOITVYREEIZOPI-QMMMGPOBSA-N	-1	0	261.237	0.102	20	30		CCEDRM
Cc1noc([N-]C(=O)c2snnc2CO)c1C#N	ZINC001196348709	846727360	/nfs/dbraw/zinc/72/73/60/846727360.db2.gz	XQEDPXKXKRYKPI-UHFFFAOYSA-N	-1	0	265.254	0.451	20	30		CCEDRM
N#C[C@H]1COCCN1C(=O)c1cc(Cl)ncc1[O-]	ZINC001196395582	846740910	/nfs/dbraw/zinc/74/09/10/846740910.db2.gz	HHXOUCKCQRZZSP-ZETCQYMHSA-N	-1	0	267.672	0.805	20	30		CCEDRM
N#Cc1ccnnc1[N-]S(=O)(=O)Cc1ccccn1	ZINC001197789058	846964309	/nfs/dbraw/zinc/96/43/09/846964309.db2.gz	MOUDBBBBLNSIEG-UHFFFAOYSA-N	-1	0	275.293	0.685	20	30		CCEDRM
C#CC1(NS(=O)(=O)c2ccccc2C(=O)[O-])CC1	ZINC001198810316	847176662	/nfs/dbraw/zinc/17/66/62/847176662.db2.gz	PGFYEIWUQCNZLL-UHFFFAOYSA-N	-1	0	265.290	0.829	20	30		CCEDRM
N#Cc1ccc(C(=O)NCCCC[P@](=O)([O-])O)[nH]1	ZINC001199682831	847400414	/nfs/dbraw/zinc/40/04/14/847400414.db2.gz	LOGRMWOUFMQUMB-UHFFFAOYSA-N	-1	0	271.213	0.574	20	30		CCEDRM
C=CCOC[C@@H](CS(=O)(=O)[O-])OCC(=O)OC(C)C	ZINC001205886853	847598902	/nfs/dbraw/zinc/59/89/02/847598902.db2.gz	NCMKZCWZTOWDKQ-JTQLQIEISA-N	-1	0	296.341	0.414	20	30		CCEDRM
COC(=O)CCCS(=O)(=O)[N-]c1c(C)ccnc1C#N	ZINC001201906224	847832951	/nfs/dbraw/zinc/83/29/51/847832951.db2.gz	PFVDTLUOEITECC-UHFFFAOYSA-N	-1	0	297.336	0.957	20	30		CCEDRM
C=CCOCCCNC(=O)N1CCOC[C@@H]1C(=O)[O-]	ZINC000691817986	847985898	/nfs/dbraw/zinc/98/58/98/847985898.db2.gz	GHARFSPATHYKFD-SNVBAGLBSA-N	-1	0	272.301	0.074	20	30		CCEDRM
C=CCOc1ccc(CC(=O)NCc2n[nH]c(=O)[n-]2)cc1	ZINC001137240331	848272027	/nfs/dbraw/zinc/27/20/27/848272027.db2.gz	YYCGAFMBYQFZMB-UHFFFAOYSA-N	-1	0	288.307	0.934	20	30		CCEDRM
C=C[C@@H](CO)NS(=O)(=O)c1cc(C(=O)[O-])ccc1C	ZINC000717427236	848371567	/nfs/dbraw/zinc/37/15/67/848371567.db2.gz	QODZPNWKSAVPSL-JTQLQIEISA-N	-1	0	285.321	0.518	20	30		CCEDRM
C#CC[C@@H](NC(=O)[C@@H]1COc2ccccc2C1)C(=O)[O-]	ZINC000149853720	854003130	/nfs/dbraw/zinc/00/31/30/854003130.db2.gz	ZIBKDEQOAHBCJV-NWDGAFQWSA-N	-1	0	273.288	0.830	20	30		CCEDRM
CC(C)NC(=S)NN=C1C(=O)Nc2cc(O)ccc21	ZINC001115850097	855699543	/nfs/dbraw/zinc/69/95/43/855699543.db2.gz	DGRDQUMBFJZVOY-UHFFFAOYSA-N	-1	0	278.337	0.921	20	30		CCEDRM
C=CCOCCNC(=O)C(=O)[N-]OCc1ccccc1	ZINC001118623228	856369652	/nfs/dbraw/zinc/36/96/52/856369652.db2.gz	DMKHYZCFVPVCBS-UHFFFAOYSA-N	-1	0	278.308	0.553	20	30		CCEDRM
C#CCO[N-]C(=O)[C@H]1CC(=O)N(C)c2ccccc21	ZINC001118786910	856442811	/nfs/dbraw/zinc/44/28/11/856442811.db2.gz	QFQHRGQLUQTYOY-NSHDSACASA-N	-1	0	258.277	0.818	20	30		CCEDRM
C=CC[C@@H](CC)NC(=O)C(=O)N[C@H]1C[C@H](C(=O)[O-])C1	ZINC001119391811	856666125	/nfs/dbraw/zinc/66/61/25/856666125.db2.gz	HQGPHBOPCPIFEP-OPRDCNLKSA-N	-1	0	268.313	0.437	20	30		CCEDRM
C=CC[C@@H](NC(=O)[C@H]1CCc2n[nH]cc2C1)C(=O)[O-]	ZINC001119581125	856752425	/nfs/dbraw/zinc/75/24/25/856752425.db2.gz	WZBMMDXTJOHSJS-GZMMTYOYSA-N	-1	0	263.297	0.660	20	30		CCEDRM
C=C[C@](C)(O)CC(=O)NCc1nc(C)cc(=O)[nH]1	ZINC001119638025	856798379	/nfs/dbraw/zinc/79/83/79/856798379.db2.gz	FDQBEBSJBGNYLN-LBPRGKRZSA-N	-1	0	251.286	0.434	20	30		CCEDRM
C=CC[C@@H](NC(=O)[C@H](C)Oc1ccccn1)C(=O)[O-]	ZINC001119643961	856804301	/nfs/dbraw/zinc/80/43/01/856804301.db2.gz	HBEXHSLMJHPCNI-VHSXEESVSA-N	-1	0	264.281	0.994	20	30		CCEDRM
CC#CCCCC(=O)N(C)C1CN(Cc2n[nH]c(=O)[n-]2)C1	ZINC001323970006	912605992	/nfs/dbraw/zinc/60/59/92/912605992.db2.gz	MBLFDRFULGGKNR-UHFFFAOYSA-N	-1	0	291.355	0.347	20	30		CCEDRM
CC#CCS(=O)(=O)[N-]C(=O)[C@H]1CCC[C@@H](F)C1	ZINC001345658726	891455062	/nfs/dbraw/zinc/45/50/62/891455062.db2.gz	ZBKSDXONULYIJL-VHSXEESVSA-N	-1	0	261.318	0.984	20	30		CCEDRM
C=CCCn1cc(C(=O)N[C@H](CC=C)C(=O)[O-])nn1	ZINC001326178544	913800838	/nfs/dbraw/zinc/80/08/38/913800838.db2.gz	WAVDLCNTEQTMQV-SECBINFHSA-N	-1	0	264.285	0.613	20	30		CCEDRM
Cn1ccnc1C([O-])=C(C#N)C(=O)CCOCC(F)F	ZINC000791837672	899802035	/nfs/dbraw/zinc/80/20/35/899802035.db2.gz	TZBBOABPNBMVQR-MRVPVSSYSA-N	-1	0	285.250	0.983	20	30		CCEDRM
COc1ccc([N-]S(=O)(=O)[C@H](C)C#N)nc1OC	ZINC001193106597	900031440	/nfs/dbraw/zinc/03/14/40/900031440.db2.gz	SWRPGCJHBTWVPZ-SSDOTTSWSA-N	-1	0	271.298	0.753	20	30		CCEDRM
Cc1ccc2c(c1[N-]S(=O)(=O)[C@@H](C)C#N)CNC2=O	ZINC001193140197	900033661	/nfs/dbraw/zinc/03/36/61/900033661.db2.gz	UUQIVLZJKQOOOL-QMMMGPOBSA-N	-1	0	279.321	0.892	20	30		CCEDRM
CSc1[n-]c(=O)c(C(=O)N2CC(CO)C2)cc1C#N	ZINC001411954498	901356680	/nfs/dbraw/zinc/35/66/80/901356680.db2.gz	KQKFTIGLIPTJGU-UHFFFAOYSA-N	-1	0	279.321	0.445	20	30		CCEDRM
Cc1cc(C#N)c(=O)[n-]c1C(=O)N[C@@H]1Cc2cncn2C1	ZINC001412154346	901502577	/nfs/dbraw/zinc/50/25/77/901502577.db2.gz	GAQBTXCQCJTUFS-SNVBAGLBSA-N	-1	0	283.291	0.519	20	30		CCEDRM
N#Cc1ccc(C(=O)NCc2nc([O-])cc(=O)[nH]2)s1	ZINC001412374949	901667282	/nfs/dbraw/zinc/66/72/82/901667282.db2.gz	KOCCFWIMSKWWAF-UHFFFAOYSA-N	-1	0	276.277	0.751	20	30		CCEDRM
CCN(C(=O)c1cccc(-n2[n-]nnc2=N)c1)[C@H](C)C#N	ZINC001413322641	902869901	/nfs/dbraw/zinc/86/99/01/902869901.db2.gz	QWTAIOCSWQTITA-SECBINFHSA-N	-1	0	285.311	0.449	20	30		CCEDRM
Cn1nnc([N-]S(=O)(=O)c2cccc(CC#N)c2)n1	ZINC001413426777	902940561	/nfs/dbraw/zinc/94/05/61/902940561.db2.gz	JPXJEVZSPGFJMA-UHFFFAOYSA-N	-1	0	278.297	0.077	20	30		CCEDRM
CCOC(=O)[C@@H](C#N)[N-]S(=O)(=O)Cc1cccc(C)c1	ZINC001259751751	904066547	/nfs/dbraw/zinc/06/65/47/904066547.db2.gz	KJCPFNARCVGDMQ-GFCCVEGCSA-N	-1	0	296.348	0.870	20	30		CCEDRM
Cc1cc(C#N)c(=O)[n-]c1C(=O)NC[C@@H](C)CCO	ZINC001294653350	906612154	/nfs/dbraw/zinc/61/21/54/906612154.db2.gz	YWOQGJSBXXLCQD-QMMMGPOBSA-N	-1	0	263.297	0.716	20	30		CCEDRM
O=C(C=Cc1ccc(F)cc1)C(=O)Nn1c(=O)[n-][nH]c1=O	ZINC001298668423	907299861	/nfs/dbraw/zinc/29/98/61/907299861.db2.gz	SCYLUHAXZNTBKU-UTCJRWHESA-N	-1	0	292.226	0.181	20	30		CCEDRM
C#CC[C@@H](CO)NC(=O)c1ccc(-c2nc(=O)o[n-]2)cc1	ZINC001306852404	908267927	/nfs/dbraw/zinc/26/79/27/908267927.db2.gz	PSVVCCQRCCIOKH-NSHDSACASA-N	-1	0	287.275	0.144	20	30		CCEDRM
C=CCn1c(-c2noc(=O)[nH]2)nnc1N(C)C1CC1	ZINC001338653773	921539160	/nfs/dbraw/zinc/53/91/60/921539160.db2.gz	MIRZYHHVNAMRPB-UHFFFAOYSA-N	-1	0	262.273	0.406	20	30		CCEDRM
C[C@]1(C#N)CCCN(C(=O)c2n[nH]c(=O)[n-]c2=O)C1	ZINC001320075086	910450821	/nfs/dbraw/zinc/45/08/21/910450821.db2.gz	XHQPMFDQTFILEU-LLVKDONJSA-N	-1	0	263.257	0.049	20	30		CCEDRM
C=CCn1c(-c2cc(=O)[nH][n-]2)nnc1N1CCSCC1	ZINC001339054837	921639225	/nfs/dbraw/zinc/63/92/25/921639225.db2.gz	LPLWZGLZJQYRND-UHFFFAOYSA-N	-1	0	292.368	0.241	20	30		CCEDRM
C=CC[C@H](NC(=O)CCn1cc(C)cn1)C(=O)[O-]	ZINC001321658508	911426551	/nfs/dbraw/zinc/42/65/51/911426551.db2.gz	ULHOSIHEQDQJSP-JTQLQIEISA-N	-1	0	251.286	0.727	20	30		CCEDRM
C=CC[C@H](NC(=O)[C@H](C)OC[C@H]1CCCO1)C(=O)[O-]	ZINC001321658118	911427090	/nfs/dbraw/zinc/42/70/90/911427090.db2.gz	OHPWXLUZLWEWMF-AXFHLTTASA-N	-1	0	271.313	0.716	20	30		CCEDRM
CN(CC(C)(C)C#N)C(=O)CCCn1c(=O)[n-][nH]c1=O	ZINC001417878712	921671004	/nfs/dbraw/zinc/67/10/04/921671004.db2.gz	SQPHZWRYXHAROZ-UHFFFAOYSA-N	-1	0	281.316	0.478	20	30		CCEDRM
C=C[C@H](COC)NS(=O)(=O)CC(C)(C)C(=O)[O-]	ZINC001588693437	983894728	/nfs/dbraw/zinc/89/47/28/983894728.db2.gz	YLENQMKJXOVCAZ-MRVPVSSYSA-N	-1	0	265.331	0.218	20	30		CCEDRM
CN(C)S(=O)(=O)[N-]C(=O)c1cc(C#N)cs1	ZINC001331477502	917362059	/nfs/dbraw/zinc/36/20/59/917362059.db2.gz	YLBBHTUOIRINEZ-UHFFFAOYSA-N	-1	0	259.312	0.156	20	30		CCEDRM
C=CC[C@@H](NC(=O)c1cc(N(C)C)ccn1)C(=O)[O-]	ZINC001332173080	917932154	/nfs/dbraw/zinc/93/21/54/917932154.db2.gz	VHNVWDOHLMDZDK-SNVBAGLBSA-N	-1	0	263.297	0.907	20	30		CCEDRM
C#CCOc1ccccc1CNC(=O)COCC(=O)[O-]	ZINC001332210027	917960700	/nfs/dbraw/zinc/96/07/00/917960700.db2.gz	YSMSZXYAGPGMID-UHFFFAOYSA-N	-1	0	277.276	0.416	20	30		CCEDRM
C=CCO[N-]C(=O)C(=O)Nc1ncn(C(C)C)n1	ZINC001332610264	918309354	/nfs/dbraw/zinc/30/93/54/918309354.db2.gz	HNXKRUGHEHLOLY-UHFFFAOYSA-N	-1	0	253.262	0.031	20	30		CCEDRM
Cc1n[nH]c(C(=O)N[C@@H](CNCC#N)C(C)(C)C)c1[O-]	ZINC001332786234	918440556	/nfs/dbraw/zinc/44/05/56/918440556.db2.gz	LKAHHGFFWREFHC-VIFPVBQESA-N	-1	0	279.344	0.681	20	30		CCEDRM
Cc1nn(C)cc1S(=O)(=O)[N-]C(=O)CCCCC#N	ZINC001332888875	918508581	/nfs/dbraw/zinc/50/85/81/918508581.db2.gz	IMNQDAMJOWIIGA-UHFFFAOYSA-N	-1	0	284.341	0.617	20	30		CCEDRM
C=CC[C@@H](NC(=O)COCc1ccnc(OC)c1)C(=O)[O-]	ZINC001333331804	918808279	/nfs/dbraw/zinc/80/82/79/918808279.db2.gz	JENOZGYEGLJQMN-LLVKDONJSA-N	-1	0	294.307	0.752	20	30		CCEDRM
C=CC[C@@H](NC(=O)c1csc(CO)n1)C(=O)[O-]	ZINC001333331675	918809854	/nfs/dbraw/zinc/80/98/54/918809854.db2.gz	FBPVYSLVQBPRSJ-ZCFIWIBFSA-N	-1	0	256.283	0.395	20	30		CCEDRM
C=CCO[C@@H]1CCN(C(=O)Cn2ccc(C(=O)[O-])n2)C1	ZINC001333332101	918809866	/nfs/dbraw/zinc/80/98/66/918809866.db2.gz	PIEYAZNUDXLPGT-SNVBAGLBSA-N	-1	0	279.296	0.385	20	30		CCEDRM
N#CC1(C(=O)N[C@H]2CC[C@H]2C(=O)[O-])CCOCC1	ZINC001333528567	918972808	/nfs/dbraw/zinc/97/28/08/918972808.db2.gz	HTNJUAQLSHNGPQ-BDAKNGLRSA-N	-1	0	252.270	0.286	20	30		CCEDRM
C#CC[C@H](NC(=O)[C@H]1CCCc2nn(C)cc21)C(=O)[O-]	ZINC001334998366	919889254	/nfs/dbraw/zinc/88/92/54/919889254.db2.gz	QNZKXRVGNUFQJH-CABZTGNLSA-N	-1	0	275.308	0.433	20	30		CCEDRM
O=c1[n-]c(CN2CCC3(CC2)CC(=O)C=CO3)n[nH]1	ZINC001335203477	920018785	/nfs/dbraw/zinc/01/87/85/920018785.db2.gz	PJZWLYALPNEBAX-UHFFFAOYSA-N	-1	0	264.285	0.348	20	30		CCEDRM
C=CCO[C@H]1CCN(C(=O)N[C@H]2C[C@H](C(=O)[O-])C2)C1	ZINC001335989837	920549189	/nfs/dbraw/zinc/54/91/89/920549189.db2.gz	BPESNIPCADEFKC-DCAQKATOSA-N	-1	0	268.313	0.836	20	30		CCEDRM
C#CCO[N-]C(=O)c1cc2c([nH]c1=O)CCC[C@H]2O	ZINC001336010158	920561059	/nfs/dbraw/zinc/56/10/59/920561059.db2.gz	BQDRITKPWYKEHX-LLVKDONJSA-N	-1	0	262.265	0.452	20	30		CCEDRM
Cn1c(=O)[n-]c(N[C@H]2CSC2(C)C)c(C#N)c1=O	ZINC001336596107	920860732	/nfs/dbraw/zinc/86/07/32/920860732.db2.gz	RJAYEAUQZNSJQK-ZETCQYMHSA-N	-1	0	266.326	0.251	20	30		CCEDRM
N#CC1(NC(=O)c2c[n-]n3c2nccc3=O)CCCC1	ZINC001340103943	921957274	/nfs/dbraw/zinc/95/72/74/921957274.db2.gz	BQTCHIWOOMZZCS-UHFFFAOYSA-N	-1	0	271.280	0.589	20	30		CCEDRM
C#CCN(CC#CC)c1nnc(-c2nc(Cl)n[nH]2)n1C	ZINC001341247855	922396997	/nfs/dbraw/zinc/39/69/97/922396997.db2.gz	IDKAHVXXVOWDEF-UHFFFAOYSA-N	-1	0	289.730	0.717	20	30		CCEDRM
CNC(=O)C(C#N)=C([O-])c1ccnn1CC(F)F	ZINC001341803747	922681958	/nfs/dbraw/zinc/68/19/58/922681958.db2.gz	DRXDJWPYKAOJRR-ZCFIWIBFSA-N	-1	0	256.212	0.217	20	30		CCEDRM
C[C@@H](CNC(=O)C1(C#N)CCOCC1)CC(=O)[O-]	ZINC001341868723	922703591	/nfs/dbraw/zinc/70/35/91/922703591.db2.gz	KFWGQYPATIVRNS-SECBINFHSA-N	-1	0	254.286	0.534	20	30		CCEDRM
COCCNC(=O)C(C#N)=C([O-])c1oc(C)nc1C	ZINC001341915201	922721808	/nfs/dbraw/zinc/72/18/08/922721808.db2.gz	PVSOKGQELCLNGI-SECBINFHSA-N	-1	0	265.269	0.377	20	30		CCEDRM
COCCNC(=O)C(C#N)=C([O-])c1ocnc1C(F)F	ZINC001341955173	922737104	/nfs/dbraw/zinc/73/71/04/922737104.db2.gz	PATKJMZLAXEEMJ-ZCFIWIBFSA-N	-1	0	287.222	0.697	20	30		CCEDRM
CNC(=O)C(C#N)=C([O-])c1ccc(CS(C)(=O)=O)cc1	ZINC001342518880	922990753	/nfs/dbraw/zinc/99/07/53/922990753.db2.gz	JNUUOWYBNABCFT-NSHDSACASA-N	-1	0	294.332	0.300	20	30		CCEDRM
Cc1nn(C)cc1CCC(=O)C(C#N)=C([O-])c1nccn1C	ZINC001342559848	923005444	/nfs/dbraw/zinc/00/54/44/923005444.db2.gz	CBUKHUAYGRUUIO-GFCCVEGCSA-N	-1	0	299.334	0.986	20	30		CCEDRM
CNC(=O)C(C#N)=C([O-])c1ccnc(-n2ccnc2)c1	ZINC001342596230	923015460	/nfs/dbraw/zinc/01/54/60/923015460.db2.gz	YPIHMRTXVFWSRZ-SNVBAGLBSA-N	-1	0	269.264	0.336	20	30		CCEDRM
COCCn1ncc(C([O-])=C(C#N)C(=O)NC(C)C)c1C	ZINC001343412016	923305291	/nfs/dbraw/zinc/30/52/91/923305291.db2.gz	VMQULMXNOWGCMJ-NSHDSACASA-N	-1	0	292.339	0.685	20	30		CCEDRM
Cn1nc2c(c1C([O-])=C(C#N)C(=O)NC1CC1)CCC2	ZINC001343590176	923383000	/nfs/dbraw/zinc/38/30/00/923383000.db2.gz	LVFYGHPCBHNEDO-JTQLQIEISA-N	-1	0	272.308	0.510	20	30		CCEDRM
N#Cc1cn(C2CN(C(=O)c3ccco3)C2)c(=O)[n-]c1=O	ZINC001420663669	923863360	/nfs/dbraw/zinc/86/33/60/923863360.db2.gz	PNDAGXBUIGLNCN-UHFFFAOYSA-N	-1	0	286.247	0.111	20	30		CCEDRM
C#Cc1cncc(C(=O)N2CC[C@@H]([C@H](F)C(=O)[O-])C2)c1	ZINC001345767782	923972571	/nfs/dbraw/zinc/97/25/71/923972571.db2.gz	DUUSBJLKMHYMOF-PWSUYJOCSA-N	-1	0	276.267	0.948	20	30		CCEDRM
Cn1ccnc1C([O-])=C(C#N)C(=O)[C@]1(F)CCOC1	ZINC001347202422	924397571	/nfs/dbraw/zinc/39/75/71/924397571.db2.gz	CFPFMOPDFAURNQ-PELKAZGASA-N	-1	0	265.244	0.440	20	30		CCEDRM
Cc1cc(NC(=O)C(=O)[N-]OCC2CC2)n(CCC#N)n1	ZINC001347680936	924511691	/nfs/dbraw/zinc/51/16/91/924511691.db2.gz	UTXBLUDGAVDXGK-UHFFFAOYSA-N	-1	0	291.311	0.502	20	30		CCEDRM
C#CCCCC(=O)N[C@@H](C(=O)[O-])[C@@H](O)c1ccncc1	ZINC001349944906	925102313	/nfs/dbraw/zinc/10/23/13/925102313.db2.gz	ROXJKDRZFGOABH-OLZOCXBDSA-N	-1	0	276.292	0.488	20	30		CCEDRM
O=C([O-])Cn1cc(C=NN[C@H]2CCCSC2)nn1	ZINC001353101718	925730040	/nfs/dbraw/zinc/73/00/40/925730040.db2.gz	OLONZEFOVJSVEO-QMMMGPOBSA-N	-1	0	269.330	0.182	20	30		CCEDRM
C=C(C)CCC(=O)N1CCOC[C@H]1c1nnn[n-]1	ZINC001353778867	925930073	/nfs/dbraw/zinc/93/00/73/925930073.db2.gz	VGTTZAJKCIEXNL-VIFPVBQESA-N	-1	0	251.290	0.456	20	30		CCEDRM
C=CCCCC(=O)N[C@H]1C[C@@H](NC(=O)c2cn[nH]n2)C1	ZINC001353802369	925935767	/nfs/dbraw/zinc/93/57/67/925935767.db2.gz	HEPFLHWENVGRKC-AOOOYVTPSA-N	-1	0	277.328	0.538	20	30		CCEDRM
Cn1c(=O)[n-]c(N[C@@H](c2cccnc2)C2CC2)c(C#N)c1=O	ZINC001413887337	925996581	/nfs/dbraw/zinc/99/65/81/925996581.db2.gz	OVUYGPQDWJYKQI-GFCCVEGCSA-N	-1	0	297.318	0.903	20	30		CCEDRM
Cn1ccnc1C(C#N)=C([O-])c1cn(C2CC2)nn1	ZINC001356567594	926401995	/nfs/dbraw/zinc/40/19/95/926401995.db2.gz	QMUVYAADLCUKAD-VIFPVBQESA-N	-1	0	256.269	0.837	20	30		CCEDRM
C=CCCC(=O)NC[C@@H]1CCN1C(=O)c1n[nH]c(C)c1[O-]	ZINC001358591729	926757933	/nfs/dbraw/zinc/75/79/33/926757933.db2.gz	RRFFGLPWYIIFBN-JTQLQIEISA-N	-1	0	292.339	0.721	20	30		CCEDRM
CC[C@H]1COCCN1Cc1cc(=O)n2[n-]cc(C#N)c2n1	ZINC001421521683	926786405	/nfs/dbraw/zinc/78/64/05/926786405.db2.gz	OLKFSZBRGNJCRR-LBPRGKRZSA-N	-1	0	287.323	0.917	20	30		CCEDRM
C[C@@H]1CC[C@H](CO)[N@@H+]1Cc1cc(=O)n2[n-]cc(C#N)c2n1	ZINC001414031564	926870098	/nfs/dbraw/zinc/87/00/98/926870098.db2.gz	CVMCWMOUCHOUTI-BXKDBHETSA-N	-1	0	287.323	0.652	20	30		CCEDRM
C=CC[C@H](NC(=O)[C@@H]1CC(=O)N(C2CCCC2)C1)C(=O)[O-]	ZINC000150018433	926943367	/nfs/dbraw/zinc/94/33/67/926943367.db2.gz	NRGOVGOKSQKBJJ-PWSUYJOCSA-N	-1	0	294.351	0.923	20	30		CCEDRM
Cc1cc(C#N)c(=O)[n-]c1C(=O)N(C)CC(=O)N(C)C	ZINC001361752785	927304637	/nfs/dbraw/zinc/30/46/37/927304637.db2.gz	PMDHYAFPDIRQPX-UHFFFAOYSA-N	-1	0	276.296	0.128	20	30		CCEDRM
CN(Cc1cccc(C#N)c1)C(=O)Cn1c(=O)[n-][nH]c1=O	ZINC001361903767	927434188	/nfs/dbraw/zinc/43/41/88/927434188.db2.gz	GXXZRXGAGPATDP-UHFFFAOYSA-N	-1	0	287.279	0.220	20	30		CCEDRM
N#CCSc1cccc(C(=O)NCc2nnn[n-]2)c1	ZINC001361913912	927442894	/nfs/dbraw/zinc/44/28/94/927442894.db2.gz	GVWCDFKQAPAWGJ-UHFFFAOYSA-N	-1	0	274.309	0.745	20	30		CCEDRM
Cc1cc(C#N)c(=O)[n-]c1C(=O)N1CCOC[C@@H]1C#N	ZINC001361967980	927485680	/nfs/dbraw/zinc/48/56/80/927485680.db2.gz	FTFRAVWACWASGO-JTQLQIEISA-N	-1	0	272.264	0.332	20	30		CCEDRM
CSC[C@@H](C)NC(=O)CCn1cc(C#N)c(=O)[n-]c1=O	ZINC001361987342	927500798	/nfs/dbraw/zinc/50/07/98/927500798.db2.gz	DBZXUWNELKYFPI-MRVPVSSYSA-N	-1	0	296.352	0.078	20	30		CCEDRM
Cc1cc(C#N)c(=O)[n-]c1C(=O)NC[C@H]1COC(C)(C)O1	ZINC001362214510	927740883	/nfs/dbraw/zinc/74/08/83/927740883.db2.gz	CQHZAKHXOHFGKZ-JTQLQIEISA-N	-1	0	291.307	0.849	20	30		CCEDRM
C[C@H]1CC(NC(=O)c2cccc(-c3nc(=O)o[n-]3)c2)=NO1	ZINC001362460483	928045341	/nfs/dbraw/zinc/04/53/41/928045341.db2.gz	BYZVKOFFERUILY-ZETCQYMHSA-N	-1	0	288.263	0.882	20	30		CCEDRM
Cc1cc(C#N)c(=O)[n-]c1C(=O)N1Cc2cnn(C)c2C1	ZINC001362460358	928045949	/nfs/dbraw/zinc/04/59/49/928045949.db2.gz	FXXARHWHAKEAII-UHFFFAOYSA-N	-1	0	283.291	0.857	20	30		CCEDRM
COC(=O)[C@@H](C)N(C)C(=O)c1[n-]c(=O)c(C#N)cc1C	ZINC001362483533	928078368	/nfs/dbraw/zinc/07/83/68/928078368.db2.gz	XSSGBIANFIVFCU-MRVPVSSYSA-N	-1	0	277.280	0.601	20	30		CCEDRM
N#C[C@@]1(C(=O)NCCc2nc(=O)o[n-]2)CC12CCCC2	ZINC001362749504	928445354	/nfs/dbraw/zinc/44/53/54/928445354.db2.gz	RSFRVPZMPODQOI-CYBMUJFWSA-N	-1	0	276.296	0.496	20	30		CCEDRM
Cc1cc(C#N)c(=O)[n-]c1C(=O)N[C@H]1CCNC(=O)CC1	ZINC001362787719	928488940	/nfs/dbraw/zinc/48/89/40/928488940.db2.gz	JBVPSXDAUQORRK-SNVBAGLBSA-N	-1	0	288.307	0.366	20	30		CCEDRM
N#CC[C@]1(O)CCN(C(=O)c2ccc3oc(=O)nc-3[n-]2)C1	ZINC001362828576	928542893	/nfs/dbraw/zinc/54/28/93/928542893.db2.gz	CQCWJXVUWGONGY-ZDUSSCGKSA-N	-1	0	288.263	0.419	20	30		CCEDRM
CCC[C@H](O)[C@H](CO)NC(=O)c1[n-]c(=O)c(C#N)cc1C	ZINC001362841070	928558925	/nfs/dbraw/zinc/55/89/25/928558925.db2.gz	XJIAOWHJTZUXBE-QWRGUYRKSA-N	-1	0	293.323	0.219	20	30		CCEDRM
CCC[C@H](NC(=O)c1[n-]c(=O)c(C#N)cc1C)C(N)=O	ZINC001362872205	928597040	/nfs/dbraw/zinc/59/70/40/928597040.db2.gz	DCXFVBTYFMKRNZ-VIFPVBQESA-N	-1	0	276.296	0.351	20	30		CCEDRM
Cc1nnc(CC(=O)Nc2nc(C#N)c(C#N)[n-]2)s1	ZINC001363158683	928932275	/nfs/dbraw/zinc/93/22/75/928932275.db2.gz	NLKPCNXNVJQREN-UHFFFAOYSA-N	-1	0	273.281	0.494	20	30		CCEDRM
CC(C)[C@@H]1C[C@H]1NC(=O)CCn1cc(C#N)c(=O)[n-]c1=O	ZINC001363212276	928981300	/nfs/dbraw/zinc/98/13/00/928981300.db2.gz	IKVJPMGTNLSPSJ-WDEREUQCSA-N	-1	0	290.323	0.371	20	30		CCEDRM
Cc1cc(C#N)cnc1C(=O)N1CC[C@@H](c2nnn[n-]2)C1	ZINC001363330464	929122805	/nfs/dbraw/zinc/12/28/05/929122805.db2.gz	ZWYQOEKDCNQFGS-SNVBAGLBSA-N	-1	0	283.295	0.405	20	30		CCEDRM
Cc1cc(=O)[nH]c(N2CCC[C@@H](NC(=O)CC#N)C2)n1	ZINC001363398249	929183847	/nfs/dbraw/zinc/18/38/47/929183847.db2.gz	IFDRMTBGKJUIOR-SNVBAGLBSA-N	-1	0	275.312	0.489	20	30		CCEDRM
N#Cc1ccc(C(=O)N2CCC[C@H](Cc3nnn[n-]3)C2)nc1	ZINC001363437811	929231352	/nfs/dbraw/zinc/23/13/52/929231352.db2.gz	WMBWKSJARHVZSE-SNVBAGLBSA-N	-1	0	297.322	0.561	20	30		CCEDRM
COC[C@](C)(CO)NC(=O)c1[n-]c(=O)c(C#N)cc1C	ZINC001363566614	929370883	/nfs/dbraw/zinc/37/08/83/929370883.db2.gz	ZQTUTDOAHMDJDL-ZDUSSCGKSA-N	-1	0	279.296	0.095	20	30		CCEDRM
C[C@@H](Nc1[n-]c(=O)n(C)c(=O)c1C#N)c1ccc(C#N)cc1	ZINC001363730270	929527145	/nfs/dbraw/zinc/52/71/45/929527145.db2.gz	LDVHXAFSLOQGAL-SECBINFHSA-N	-1	0	295.302	0.990	20	30		CCEDRM
C[C@H](Nc1[n-]c(=O)n(C)c(=O)c1C#N)c1ccc(C#N)cc1	ZINC001363730344	929527560	/nfs/dbraw/zinc/52/75/60/929527560.db2.gz	LDVHXAFSLOQGAL-VIFPVBQESA-N	-1	0	295.302	0.990	20	30		CCEDRM
N#Cc1cn(CCC(=O)N[C@H]2CC=CCC2)c(=O)[n-]c1=O	ZINC001444358513	929850499	/nfs/dbraw/zinc/85/04/99/929850499.db2.gz	ZDVOMMJNFMZIAC-NSHDSACASA-N	-1	0	288.307	0.436	20	30		CCEDRM
C#C[C@H](C)NC(=O)c1ccc(-n2[nH]c(=O)[n-]c2=O)cc1	ZINC001448151339	930836109	/nfs/dbraw/zinc/83/61/09/930836109.db2.gz	FHMKPZCODXEHBL-QMMMGPOBSA-N	-1	0	272.264	0.018	20	30		CCEDRM
N#Cc1cc(C(=O)N2CCC[C@H](c3n[nH]c(=O)[n-]3)C2)co1	ZINC001448461424	930892775	/nfs/dbraw/zinc/89/27/75/930892775.db2.gz	VYBFOCGWAZYESF-QMMMGPOBSA-N	-1	0	287.279	0.995	20	30		CCEDRM
N#Cc1c(-c2ccccc2)nnn1CC(=O)NCC(=O)[O-]	ZINC001601079715	970928796	/nfs/dbraw/zinc/92/87/96/970928796.db2.gz	LCWQUSKZLKAZHD-UHFFFAOYSA-N	-1	0	285.263	0.018	20	30		CCEDRM
C#CC1(O)CN(C(=O)NCc2ccccc2C(=O)[O-])C1	ZINC001602671735	971235204	/nfs/dbraw/zinc/23/52/04/971235204.db2.gz	FPEJCPJGYBIVQT-UHFFFAOYSA-N	-1	0	274.276	0.274	20	30		CCEDRM
C#CC1(O)CCN(C(=O)/C=C\c2ccc(C(=O)[O-])o2)CC1	ZINC001602672113	971236319	/nfs/dbraw/zinc/23/63/19/971236319.db2.gz	HXENNZADBYUABH-XQRVVYSFSA-N	-1	0	289.287	0.978	20	30		CCEDRM
C#CC1(O)CCN(C(=O)C2(CC(=O)[O-])CCOCC2)CC1	ZINC001602672317	971236667	/nfs/dbraw/zinc/23/66/67/971236667.db2.gz	KCBWKLGVMDTSJH-UHFFFAOYSA-N	-1	0	295.335	0.245	20	30		CCEDRM
C#CC1(O)CCN(C(=O)Nc2ccnc(C(=O)[O-])c2)CC1	ZINC001602673456	971240268	/nfs/dbraw/zinc/24/02/68/971240268.db2.gz	UXPFKKPSHFIDOZ-UHFFFAOYSA-N	-1	0	289.291	0.772	20	30		CCEDRM
C#C[C@@H](C)NC(=O)NC[C@@H]1CCC2(CC(C(=O)[O-])C2)O1	ZINC001602673631	971241874	/nfs/dbraw/zinc/24/18/74/971241874.db2.gz	YQSYFMBZZNLIBU-ICYKSAPQSA-N	-1	0	280.324	0.720	20	30		CCEDRM
C#C[C@H]1CCCN(C(=O)C(=O)N2CC[C@](C)(C(=O)[O-])C2)C1	ZINC001602674993	971244629	/nfs/dbraw/zinc/24/46/29/971244629.db2.gz	IGBLKEXSAFSCOZ-NHYWBVRUSA-N	-1	0	292.335	0.181	20	30		CCEDRM
C#CCN(CC(=O)[O-])C(=O)[C@@H]1CC(=O)N[C@H]2CCCC[C@H]12	ZINC001602682191	971265491	/nfs/dbraw/zinc/26/54/91/971265491.db2.gz	HYCVNLWOEUYCNW-UTUOFQBUSA-N	-1	0	292.335	0.228	20	30		CCEDRM
C#CCN(CC(=O)[O-])C(=O)N[C@@H]1CCO[C@H](C2CC2)C1	ZINC001602684138	971278710	/nfs/dbraw/zinc/27/87/10/971278710.db2.gz	RIHJPGKHRMIZFI-NEPJUHHUSA-N	-1	0	280.324	0.673	20	30		CCEDRM
C#CCN(CC(=O)[O-])C(=O)NCCc1cc(C)n(C)n1	ZINC001602685685	971282199	/nfs/dbraw/zinc/28/21/99/971282199.db2.gz	DWQDKGVIHCZNIZ-UHFFFAOYSA-N	-1	0	278.312	0.000	20	30		CCEDRM
C#CCN(CC(=O)[O-])C(=O)c1nc2c(s1)CCC2	ZINC001602692546	971304305	/nfs/dbraw/zinc/30/43/05/971304305.db2.gz	SXNKAHDNEJLCST-UHFFFAOYSA-N	-1	0	264.306	0.792	20	30		CCEDRM
C#CCN(CC(=O)[O-])[C@H](C(N)=O)c1ccc(C#N)cc1	ZINC001602695266	971306199	/nfs/dbraw/zinc/30/61/99/971306199.db2.gz	BIMQBBGZPPDNEY-ZDUSSCGKSA-N	-1	0	271.276	0.104	20	30		CCEDRM
C#CCN(CC(=O)[O-])c1nnnn1CC[C@H]1CCCOC1	ZINC001602700619	971318899	/nfs/dbraw/zinc/31/88/99/971318899.db2.gz	BGUBGBCCONDHGH-LLVKDONJSA-N	-1	0	293.327	0.014	20	30		CCEDRM
C#CCOc1ccc(F)cc1NC(=O)[C@H](OC)C(=O)[O-]	ZINC001602704675	971336051	/nfs/dbraw/zinc/33/60/51/971336051.db2.gz	MXPIUALVANTBJT-NSHDSACASA-N	-1	0	281.239	0.876	20	30		CCEDRM
C#Cc1ccc(NC(=O)C(=O)N[C@H]2C[C@@H](C(=O)[O-])C2)cc1	ZINC001602704774	971337348	/nfs/dbraw/zinc/33/73/48/971337348.db2.gz	SPEINIYVGQYUBO-KLPPZKSPSA-N	-1	0	286.287	0.586	20	30		CCEDRM
C=C(C)C[C@H](CO)NC(=O)C1(C(=O)[O-])CCOCC1	ZINC001602706854	971339501	/nfs/dbraw/zinc/33/95/01/971339501.db2.gz	CTZKNHXYCYVPDZ-SNVBAGLBSA-N	-1	0	271.313	0.311	20	30		CCEDRM
C=C[C@H](C)ONC(=O)N1CC[C@](COC)(C(=O)[O-])C1	ZINC001602717442	971367464	/nfs/dbraw/zinc/36/74/64/971367464.db2.gz	MPZKPEFOPQRBIW-CABZTGNLSA-N	-1	0	272.301	0.625	20	30		CCEDRM
C=CC[C@H](C(=O)OC)N(CCOC)CCC(=O)[O-]	ZINC001602718709	971375902	/nfs/dbraw/zinc/37/59/02/971375902.db2.gz	SSFMEWFCMXUROY-SNVBAGLBSA-N	-1	0	259.302	0.527	20	30		CCEDRM
C=C[C@@H]1OCC[C@H]1NC(=O)[C@H]1CO[C@H](CCC(=O)[O-])C1	ZINC001602731176	971412766	/nfs/dbraw/zinc/41/27/66/971412766.db2.gz	WVXKAWBRQUGEMT-KKOKHZNYSA-N	-1	0	283.324	0.716	20	30		CCEDRM
C[C@](C#N)(CC(=O)[O-])C(=O)N1CC[C@H]2COC[C@H]2C1	ZINC001602778117	971510548	/nfs/dbraw/zinc/51/05/48/971510548.db2.gz	BPJNKRLBOXNWQM-OPQQBVKSSA-N	-1	0	266.297	0.486	20	30		CCEDRM
C[C@](O)(CNC(=O)Nc1ccc(CC#N)cc1)C(=O)[O-]	ZINC000090278728	949123594	/nfs/dbraw/zinc/12/35/94/949123594.db2.gz	IABJENOKYKDRKW-ZDUSSCGKSA-N	-1	0	277.280	0.710	20	30		CCEDRM
C#CCN(CCN1C(=O)c2ccccc2C1=O)CC(=O)[O-]	ZINC000092483239	949157613	/nfs/dbraw/zinc/15/76/13/949157613.db2.gz	BXQNKSCCEKMNGE-UHFFFAOYSA-N	-1	0	286.287	0.302	20	30		CCEDRM
N#Cc1ccc(C(=O)N[C@H]2CC[C@@H](C(=O)[O-])C2)nc1	ZINC000097051572	949195130	/nfs/dbraw/zinc/19/51/30/949195130.db2.gz	JFCRRNOBOSYWPB-ZJUUUORDSA-N	-1	0	259.265	0.936	20	30		CCEDRM
C#CCN(CC(=O)[O-])C(=O)N[C@@H](C)c1cn[nH]c1	ZINC000229754702	949659296	/nfs/dbraw/zinc/65/92/96/949659296.db2.gz	VNSPGCNSLOIQAH-QMMMGPOBSA-N	-1	0	250.258	0.200	20	30		CCEDRM
CC(C)(C#N)CNC(=O)C1(CC(=O)[O-])CCOCC1	ZINC001602830246	971650416	/nfs/dbraw/zinc/65/04/16/971650416.db2.gz	LPPVFAJDZGRTSF-UHFFFAOYSA-N	-1	0	268.313	0.924	20	30		CCEDRM
CCN(C[C@H](C)C#N)C(=O)[C@@]1(C(=O)[O-])CCCO1	ZINC001589719380	950402849	/nfs/dbraw/zinc/40/28/49/950402849.db2.gz	FOWAOPGYWCRTAB-BXKDBHETSA-N	-1	0	254.286	0.628	20	30		CCEDRM
CCN1C[C@H](COC(=O)[C@](C)(C#N)CC(=O)[O-])OC1=O	ZINC001589741825	950610605	/nfs/dbraw/zinc/61/06/05/950610605.db2.gz	FSEWMZYEGSBKQM-PELKAZGASA-N	-1	0	284.268	0.375	20	30		CCEDRM
O=C([O-])CCC(Cc1ccccc1)N=NC1=NCCN1	ZINC001595000646	951119782	/nfs/dbraw/zinc/11/97/82/951119782.db2.gz	MELHMXVDARKDPU-UHFFFAOYSA-N	-1	0	274.324	0.999	20	30		CCEDRM
CCOC1(C)CN(C(=O)[C@](C)(C#N)CC(=O)[O-])C1	ZINC001591739257	951179237	/nfs/dbraw/zinc/17/92/37/951179237.db2.gz	JUGIDPZBNPXYHR-NSHDSACASA-N	-1	0	254.286	0.628	20	30		CCEDRM
CN(C(=O)[C@H]1CCCN(CC(=O)[O-])C1=O)C1(C#N)CCC1	ZINC001593674981	953911345	/nfs/dbraw/zinc/91/13/45/953911345.db2.gz	HJRNXTHWNJWHCT-SNVBAGLBSA-N	-1	0	293.323	0.214	20	30		CCEDRM
CN(C(=O)c1cnc(C(=O)[O-])cn1)c1ccc(C#N)nc1	ZINC001593683999	953982165	/nfs/dbraw/zinc/98/21/65/953982165.db2.gz	NEGJALOMFYVDJN-UHFFFAOYSA-N	-1	0	283.247	0.718	20	30		CCEDRM
C[C@@H]1CN(C(=O)[C@@](C)(C#N)CC(=O)[O-])C[C@@H](C)S1=O	ZINC001589366080	954194586	/nfs/dbraw/zinc/19/45/86/954194586.db2.gz	GSAPUFODWSIZJU-KBVBSXBZSA-N	-1	0	286.353	0.359	20	30		CCEDRM
C[C@@H]1CN(C(=O)[C@](C)(C#N)CC(=O)[O-])CC[C@@H]1O	ZINC001589366181	954197342	/nfs/dbraw/zinc/19/73/42/954197342.db2.gz	JZDBCMOBEFQICW-PTRXPTGYSA-N	-1	0	254.286	0.220	20	30		CCEDRM
CN(CC(C)(C)C#N)C(=O)Nc1ccn(CC(=O)[O-])n1	ZINC001593724178	954269234	/nfs/dbraw/zinc/26/92/34/954269234.db2.gz	NMZKIUWLBGHHTP-UHFFFAOYSA-N	-1	0	279.300	0.981	20	30		CCEDRM
CN(CC(C)(C)C#N)C(=O)c1cc(C(=O)[O-])n[nH]1	ZINC001593724196	954269280	/nfs/dbraw/zinc/26/92/80/954269280.db2.gz	OEAJAFJCZGXUPG-UHFFFAOYSA-N	-1	0	250.258	0.730	20	30		CCEDRM
C[C@H]1CN(c2cnc(C#N)c(C#N)n2)CC[C@H]1C(=O)[O-]	ZINC001589402930	954456050	/nfs/dbraw/zinc/45/60/50/954456050.db2.gz	RITYHVGSTWWPIJ-DTWKUNHWSA-N	-1	0	271.280	0.767	20	30		CCEDRM
C[C@@H]1CN=C(NC(=O)[C@@](C)(C#N)CC(=O)[O-])S1	ZINC001589407936	954479794	/nfs/dbraw/zinc/47/97/94/954479794.db2.gz	ZPXRGNFLLGEQLA-LHLIQPBNSA-N	-1	0	255.299	0.598	20	30		CCEDRM
CC[C@@H](C#N)C(=O)N[C@@H](C(=O)[O-])c1ccnn1C	ZINC001589426310	954624965	/nfs/dbraw/zinc/62/49/65/954624965.db2.gz	HJZGJJODOCKBOS-IONNQARKSA-N	-1	0	250.258	0.212	20	30		CCEDRM
COC(=O)CCN(CC#N)C(=O)[C@@H]1CC[C@H]1C(=O)[O-]	ZINC001593835692	955179417	/nfs/dbraw/zinc/17/94/17/955179417.db2.gz	GUYGYXWVHSDDIG-RKDXNWHRSA-N	-1	0	268.269	0.012	20	30		CCEDRM
CC(C)CCN(CCC#N)C(=O)c1cn(CC(=O)[O-])nn1	ZINC001603021734	972081731	/nfs/dbraw/zinc/08/17/31/972081731.db2.gz	YTACAIPMYMUCFE-UHFFFAOYSA-N	-1	0	293.327	0.765	20	30		CCEDRM
COC(=O)CCN(CC(=O)[O-])C(=O)c1csc(C#N)c1	ZINC001593839872	955350175	/nfs/dbraw/zinc/35/01/75/955350175.db2.gz	AGBIPSZKMRWOSM-UHFFFAOYSA-N	-1	0	296.304	0.710	20	30		CCEDRM
Cc1onc(CC(=O)N(C)CCCC(=O)[O-])c1C#N	ZINC001594510274	955380199	/nfs/dbraw/zinc/38/01/99/955380199.db2.gz	MNVWWPWTYWAKPR-UHFFFAOYSA-N	-1	0	265.269	0.720	20	30		CCEDRM
COC(=O)CCN(CC(=O)[O-])c1cc(C#N)cc(C)n1	ZINC001593843311	955383999	/nfs/dbraw/zinc/38/39/99/955383999.db2.gz	SBLWAZNXQPYTOG-UHFFFAOYSA-N	-1	0	277.280	0.716	20	30		CCEDRM
C[C@H](CCO)CCNC(=O)[C@@](C)(C#N)CC(=O)[O-]	ZINC001589015791	955436245	/nfs/dbraw/zinc/43/62/45/955436245.db2.gz	XBELZVMBXOSRDQ-JOYOIKCWSA-N	-1	0	256.302	0.516	20	30		CCEDRM
COC(=O)c1cc2n(n1)CCCC2=NNCCC(=O)[O-]	ZINC001593875735	955666598	/nfs/dbraw/zinc/66/65/98/955666598.db2.gz	FQXJUSXQNSIFOC-UHFFFAOYSA-N	-1	0	280.284	0.232	20	30		CCEDRM
Cn1nc(C(=O)[O-])cc1C(=O)O[C@H]1CC[C@@H](C#N)C1	ZINC001594567236	955850339	/nfs/dbraw/zinc/85/03/39/955850339.db2.gz	IJRYOOJARZRFPH-SFYZADRCSA-N	-1	0	263.253	0.967	20	30		CCEDRM
CC(C)N1CCC[C@H](OC(=O)[C@@](C)(C#N)CC(=O)[O-])C1=O	ZINC001603068839	972138363	/nfs/dbraw/zinc/13/83/63/972138363.db2.gz	VNGPRSCYZHXXGW-IINYFYTJSA-N	-1	0	296.323	0.934	20	30		CCEDRM
C[C@@H](NC(=O)[C@@H]1CC(C(=O)[O-])=NO1)c1ccc(C#N)cc1	ZINC001589091315	955942315	/nfs/dbraw/zinc/94/23/15/955942315.db2.gz	BHSMRZAUSCSJMR-PELKAZGASA-N	-1	0	287.275	0.965	20	30		CCEDRM
CO[C@H](C(=O)[O-])C(=O)Nc1ccc(F)c(C#N)c1N	ZINC001593912565	955982182	/nfs/dbraw/zinc/98/21/82/955982182.db2.gz	KKLUUMZGOKABJF-VIFPVBQESA-N	-1	0	267.216	0.318	20	30		CCEDRM
CO[C@@H](C(=O)[O-])C(=O)Nc1nc2cc(C#N)ccc2[nH]1	ZINC001593916555	956026945	/nfs/dbraw/zinc/02/69/45/956026945.db2.gz	XBOSRWCPZHIKNE-SECBINFHSA-N	-1	0	274.236	0.473	20	30		CCEDRM
Cn1nccc1[C@H](NC(=O)c1cscc1C#N)C(=O)[O-]	ZINC001594590520	956055612	/nfs/dbraw/zinc/05/56/12/956055612.db2.gz	QYXJZOZNPONRFT-JTQLQIEISA-N	-1	0	290.304	0.909	20	30		CCEDRM
N#C[C@]1(C(=O)N(CC(=O)[O-])CC2CC2)CCCOC1	ZINC001594600973	956128849	/nfs/dbraw/zinc/12/88/49/956128849.db2.gz	FRQDVPAMJRMRMP-CYBMUJFWSA-N	-1	0	266.297	0.630	20	30		CCEDRM
N#C[C@@H](NC(=O)[C@@H]1CC(C(=O)[O-])=NO1)C1CCCCC1	ZINC001594600970	956129094	/nfs/dbraw/zinc/12/90/94/956129094.db2.gz	FPFPEGXSAJTOQX-MNOVXSKESA-N	-1	0	279.296	0.805	20	30		CCEDRM
CO[C@](C)(C(=O)[O-])C(=O)NCc1ccnc(C#N)c1	ZINC001593927380	956142709	/nfs/dbraw/zinc/14/27/09/956142709.db2.gz	YREGQIUDMCSUFL-LBPRGKRZSA-N	-1	0	263.253	0.059	20	30		CCEDRM
N#C[C@]1(F)CCN(C(=O)c2ccc(C(=O)[O-])cn2)C1	ZINC001594602092	956143161	/nfs/dbraw/zinc/14/31/61/956143161.db2.gz	JXPVPUSFYUGZKW-GFCCVEGCSA-N	-1	0	263.228	0.858	20	30		CCEDRM
N#CC1(OCCOC(=O)[C@H]2CC[C@H]2C(=O)[O-])CCOCC1	ZINC001594602629	956147947	/nfs/dbraw/zinc/14/79/47/956147947.db2.gz	PGPJFJGTSAWVDR-MNOVXSKESA-N	-1	0	297.307	0.730	20	30		CCEDRM
N#CC1(COC(=O)[C@@]2(C(=O)[O-])CC=CCC2)COC1	ZINC001594603576	956156154	/nfs/dbraw/zinc/15/61/54/956156154.db2.gz	FJDAFPFPCAKYGW-ZDUSSCGKSA-N	-1	0	265.265	0.881	20	30		CCEDRM
N#CC[C@@H]1CCCN(C(=O)C(=O)NCCCC(=O)[O-])C1	ZINC001594605653	956168854	/nfs/dbraw/zinc/16/88/54/956168854.db2.gz	GNTWDYROIRPFOV-JTQLQIEISA-N	-1	0	281.312	0.120	20	30		CCEDRM
N#CC[C@H](NC(=O)C1(C(=O)[O-])CCOCC1)C(F)(F)F	ZINC001594605754	956172580	/nfs/dbraw/zinc/17/25/80/956172580.db2.gz	IAZJTQVWLXDLNS-ZETCQYMHSA-N	-1	0	294.229	0.829	20	30		CCEDRM
N#CC[C@H](OC(=O)c1cccn(CC(=O)[O-])c1=O)C1CC1	ZINC001594606123	956177076	/nfs/dbraw/zinc/17/70/76/956177076.db2.gz	PADYEGWJYBRDJF-NSHDSACASA-N	-1	0	290.275	0.782	20	30		CCEDRM
N#CCc1cccc(N2C[C@@H]3COC[C@]3(C(=O)[O-])C2)n1	ZINC001594611472	956214740	/nfs/dbraw/zinc/21/47/40/956214740.db2.gz	UQEBNFFFQLUUGJ-QMTHXVAHSA-N	-1	0	273.292	0.685	20	30		CCEDRM
N#Cc1cc(F)cc(C2(C(=O)OCC(=O)C(=O)[O-])CC2)c1	ZINC001594616659	956242196	/nfs/dbraw/zinc/24/21/96/956242196.db2.gz	WBPUVHROUHGWOC-UHFFFAOYSA-N	-1	0	291.234	0.926	20	30		CCEDRM
N#Cc1ccc(CC(=O)Nc2c[nH]nc2C(=O)[O-])cn1	ZINC001594618396	956263428	/nfs/dbraw/zinc/26/34/28/956263428.db2.gz	MPDIIUZRNPNPLT-UHFFFAOYSA-N	-1	0	271.236	0.556	20	30		CCEDRM
N#Cc1cn(CCOc2ccccc2C(=O)[O-])nn1	ZINC001594632843	956354394	/nfs/dbraw/zinc/35/43/94/956354394.db2.gz	DVZPMBNKXGVQQP-UHFFFAOYSA-N	-1	0	258.237	0.927	20	30		CCEDRM
N#Cc1ncn(CCNC(=O)[C@]2(C(=O)[O-])CC=CCC2)n1	ZINC001594635027	956366678	/nfs/dbraw/zinc/36/66/78/956366678.db2.gz	HCGOAPLXYVVSLV-ZDUSSCGKSA-N	-1	0	289.295	0.077	20	30		CCEDRM
COC[C@H](C#N)OC(=O)[C@H](C(=O)[O-])C1CCCC1	ZINC001593952708	956407606	/nfs/dbraw/zinc/40/76/06/956407606.db2.gz	BGMCAISRAQNAEZ-UWVGGRQHSA-N	-1	0	255.270	0.959	20	30		CCEDRM
CC1(C)C(C)(C)C1(C(=O)[O-])C(=O)N[C@H]1CCCN(O)C1=O	ZINC001589204499	956653762	/nfs/dbraw/zinc/65/37/62/956653762.db2.gz	FBUGLRMFFJXPGB-QMMMGPOBSA-N	-1	0	298.339	0.620	20	30		CCEDRM
C[C@H](CC(=O)[O-])NC(=O)N1CCN(C2CC2)[C@H](C#N)C1	ZINC001603124950	972210880	/nfs/dbraw/zinc/21/08/80/972210880.db2.gz	APUJRYJALZITOF-MWLCHTKSSA-N	-1	0	280.328	0.231	20	30		CCEDRM
CCN(CC(=O)[O-])CC(=O)N(CCC#N)CCC#N	ZINC000038018182	957347149	/nfs/dbraw/zinc/34/71/49/957347149.db2.gz	HLJVWFQTHLUFBO-UHFFFAOYSA-N	-1	0	266.301	0.049	20	30		CCEDRM
CON=CC(=O)N[C@H](C(=O)[O-])c1ccc(F)cc1	ZINC001594042550	957889454	/nfs/dbraw/zinc/88/94/54/957889454.db2.gz	QYZJXZRQHOSLEQ-JTQLQIEISA-N	-1	0	254.217	0.700	20	30		CCEDRM
C#C[C@H](NCc1cc(C(=O)[O-])nn1C)[C@H]1CCCO1	ZINC001588385733	957973051	/nfs/dbraw/zinc/97/30/51/957973051.db2.gz	HFLKCXJEXUTHSR-CMPLNLGQSA-N	-1	0	263.297	0.389	20	30		CCEDRM
C#C[C@H](NCCS(=O)(=O)CC(=O)[O-])c1ccccc1	ZINC001588386391	957978575	/nfs/dbraw/zinc/97/85/75/957978575.db2.gz	QOIBDTFVEKGZBI-LBPRGKRZSA-N	-1	0	281.333	0.450	20	30		CCEDRM
C#CC[C@H](COC)NC(=O)N1CC[C@@](COC)(C(=O)[O-])C1	ZINC001588389426	958008774	/nfs/dbraw/zinc/00/87/74/958008774.db2.gz	VEVGPPSDOCNQOF-BXUZGUMPSA-N	-1	0	298.339	0.157	20	30		CCEDRM
C#C[C@@H]1CCCN(C(=O)[C@@H]2CCCN(CC(=O)[O-])C2=O)C1	ZINC001588389632	958009807	/nfs/dbraw/zinc/00/98/07/958009807.db2.gz	YRSYURJOMFKWHA-NEPJUHHUSA-N	-1	0	292.335	0.181	20	30		CCEDRM
C#CC[C@H](CCOC)NC(=O)[C@](C)(OC)C(=O)[O-]	ZINC001588389571	958009839	/nfs/dbraw/zinc/00/98/39/958009839.db2.gz	WYPJDSPOTSRRPY-SKDRFNHKSA-N	-1	0	257.286	0.021	20	30		CCEDRM
C#CC[C@@H]1NC(=O)N(Cc2cccc(C(=O)[O-])c2)C1=O	ZINC001588391204	958021093	/nfs/dbraw/zinc/02/10/93/958021093.db2.gz	CTXLIMUUGGBPCN-NSHDSACASA-N	-1	0	272.260	0.829	20	30		CCEDRM
C#CCNC(=O)CN1Cc2ccccc2[C@@H](C(=O)[O-])C1	ZINC000087612487	958023395	/nfs/dbraw/zinc/02/33/95/958023395.db2.gz	MVYFRUWXVDQIRN-ZDUSSCGKSA-N	-1	0	272.304	0.420	20	30		CCEDRM
COc1ccc(CN2CCOC[C@H]2C(=O)[O-])cc1C#N	ZINC000088380480	958054863	/nfs/dbraw/zinc/05/48/63/958054863.db2.gz	UVFMRAZRHCCXBI-LBPRGKRZSA-N	-1	0	276.292	0.852	20	30		CCEDRM
C#CCN(CC(=O)[O-])C(=O)C(F)(F)C1(O)CCCC1	ZINC001588397354	958055463	/nfs/dbraw/zinc/05/54/63/958055463.db2.gz	FWGBQBGGKBRHGC-UHFFFAOYSA-N	-1	0	275.251	0.473	20	30		CCEDRM
C#CCN(CC(=O)[O-])C(=O)[C@@H]1COc2cc(F)ccc2C1	ZINC001588399715	958076196	/nfs/dbraw/zinc/07/61/96/958076196.db2.gz	NYMCAHPHMRNHCB-NSHDSACASA-N	-1	0	291.278	0.923	20	30		CCEDRM
C#CCN(CC(=O)[O-])C(=O)[C@H]1CCCN(CC(F)F)C1	ZINC001588399891	958077029	/nfs/dbraw/zinc/07/70/29/958077029.db2.gz	PXSBRTMFVLEOHD-JTQLQIEISA-N	-1	0	288.294	0.510	20	30		CCEDRM
C#CCN(CC(=O)[O-])C(=O)NCC1(COC)CCOCC1	ZINC001588408191	958105188	/nfs/dbraw/zinc/10/51/88/958105188.db2.gz	AHCXUCFOMGYKTQ-UHFFFAOYSA-N	-1	0	298.339	0.159	20	30		CCEDRM
C#CCN(CC(=O)[O-])C(=O)NCc1ccc2c(c1)COC2	ZINC001588408910	958119544	/nfs/dbraw/zinc/11/95/44/958119544.db2.gz	LPHVDGMKILXOKX-UHFFFAOYSA-N	-1	0	288.303	0.946	20	30		CCEDRM
C#CCN(CC(=O)[O-])C(=O)NC[C@@H](COC)C(C)C	ZINC001588410674	958142921	/nfs/dbraw/zinc/14/29/21/958142921.db2.gz	XYDRGGMXHHTPRB-NSHDSACASA-N	-1	0	270.329	0.634	20	30		CCEDRM
C#CCN(CC(=O)[O-])C(=O)c1cc([N+](=O)[O-])cc(C)n1	ZINC001588416973	958167286	/nfs/dbraw/zinc/16/72/86/958167286.db2.gz	ZIXRYCXNOHIRRO-UHFFFAOYSA-N	-1	0	277.236	0.458	20	30		CCEDRM
Cc1cc(NCCNC(=O)[C@](C)(C#N)CC(=O)[O-])n(C)n1	ZINC001594325912	958173601	/nfs/dbraw/zinc/17/36/01/958173601.db2.gz	UDHBKXJGTWQWAE-ZDUSSCGKSA-N	-1	0	293.327	0.261	20	30		CCEDRM
C#CCN(CC(=O)[O-])C(=O)c1cnn(-c2cccnc2)c1	ZINC001588418364	958177168	/nfs/dbraw/zinc/17/71/68/958177168.db2.gz	CFBXDXPNFIVVPA-UHFFFAOYSA-N	-1	0	284.275	0.427	20	30		CCEDRM
C#CCN(CC(=O)[O-])C(=O)c1csc(Cl)n1	ZINC001588418373	958178021	/nfs/dbraw/zinc/17/80/21/958178021.db2.gz	CQNIKPYQHBLZNJ-UHFFFAOYSA-N	-1	0	258.686	0.957	20	30		CCEDRM
C#CCN(CC(=O)[O-])C(=O)c1cnc2[nH]cnc2c1	ZINC001588418431	958179247	/nfs/dbraw/zinc/17/92/47/958179247.db2.gz	FYXHPICMPPAALE-UHFFFAOYSA-N	-1	0	258.237	0.118	20	30		CCEDRM
C#CCN(CC(=O)[O-])C(=O)c1ccnc2c1ncn2C	ZINC001588418733	958185492	/nfs/dbraw/zinc/18/54/92/958185492.db2.gz	FOWZGQVYHBPZEY-UHFFFAOYSA-N	-1	0	272.264	0.128	20	30		CCEDRM
C#CCN(CC(=O)[O-])[C@@H](C(=O)OC)c1ccsc1	ZINC001588420130	958199666	/nfs/dbraw/zinc/19/96/66/958199666.db2.gz	MSHBNAMPBOTLSV-LLVKDONJSA-N	-1	0	267.306	0.982	20	30		CCEDRM
C#CCN(CC(=O)[O-])[C@@H](C)C(=O)Nc1ccnn1C(C)C	ZINC001588420269	958201997	/nfs/dbraw/zinc/20/19/97/958201997.db2.gz	SSKBGFOWCKZKMV-NSHDSACASA-N	-1	0	292.339	0.811	20	30		CCEDRM
C#CCN(CC(=O)[O-])C[C@@H](OC)C1CCOCC1	ZINC001588424353	958214852	/nfs/dbraw/zinc/21/48/52/958214852.db2.gz	PFJDJJUXEHEXRJ-GFCCVEGCSA-N	-1	0	255.314	0.448	20	30		CCEDRM
C#CCN(CC(=O)[O-])S(=O)(=O)C[C@]1(C)CC1(F)F	ZINC001588425108	958222568	/nfs/dbraw/zinc/22/25/68/958222568.db2.gz	DXNPORIJDNIEEC-VIFPVBQESA-N	-1	0	281.280	0.381	20	30		CCEDRM
C#CCN(CC(=O)[O-])S(=O)(=O)C[C@@]1(C)CC1(F)F	ZINC001588425106	958223258	/nfs/dbraw/zinc/22/32/58/958223258.db2.gz	DXNPORIJDNIEEC-SECBINFHSA-N	-1	0	281.280	0.381	20	30		CCEDRM
C#CCN(CC(=O)[O-])S(=O)(=O)CC1(COC)CCC1	ZINC001588425230	958224426	/nfs/dbraw/zinc/22/44/26/958224426.db2.gz	KDXNGCBEZSWFAW-UHFFFAOYSA-N	-1	0	289.353	0.153	20	30		CCEDRM
C#CCN(CC(=O)[O-])c1nnc([C@H](C)C(C)(C)O)n1C	ZINC001588426952	958236809	/nfs/dbraw/zinc/23/68/09/958236809.db2.gz	HYSCJJXQLQKMOG-VIFPVBQESA-N	-1	0	280.328	0.214	20	30		CCEDRM
C#CCN(CC(=O)OC(C)(C)C)C(=O)[C@@](C)(OC)C(=O)[O-]	ZINC001588427155	958240250	/nfs/dbraw/zinc/24/02/50/958240250.db2.gz	OOLJQBVKGFPYJP-CQSZACIVSA-N	-1	0	299.323	0.280	20	30		CCEDRM
C#CCOCCC(=O)N1CC[C@H](C(=O)[O-])[C@@H](C)C1	ZINC001588430559	958256839	/nfs/dbraw/zinc/25/68/39/958256839.db2.gz	CQTSEJGPDLLTCW-QWRGUYRKSA-N	-1	0	253.298	0.596	20	30		CCEDRM
C#C[C@H]1CC[C@H](NC(=O)[C@](C)(OC)C(=O)[O-])CC1	ZINC001588432872	958290160	/nfs/dbraw/zinc/29/01/60/958290160.db2.gz	GFQGJTRXZDCYLY-KWBADKCTSA-N	-1	0	253.298	0.784	20	30		CCEDRM
C#CCOc1cccc(OC(=O)[C@H](OC)C(=O)[O-])c1	ZINC001588433067	958290871	/nfs/dbraw/zinc/29/08/71/958290871.db2.gz	CMLPUUBKUWQPPB-LLVKDONJSA-N	-1	0	264.233	0.704	20	30		CCEDRM
C=C(C)Cn1c(CO)nnc1N1C[C@H](C)C[C@H](C(=O)[O-])C1	ZINC001588442858	958347787	/nfs/dbraw/zinc/34/77/87/958347787.db2.gz	LBOAMUHOUCLKKP-MNOVXSKESA-N	-1	0	294.355	0.894	20	30		CCEDRM
C=C(CC)CNC(=O)N1C[C@H]2COC[C@@]2(C(=O)[O-])C1	ZINC001588444418	958360260	/nfs/dbraw/zinc/36/02/60/958360260.db2.gz	BCCHNNWXZMOPFB-GWCFXTLKSA-N	-1	0	268.313	0.695	20	30		CCEDRM
C=C(CCC(=O)OC)C(=O)N[C@H]1CC[C@@H](C(=O)[O-])C1	ZINC001588444571	958362415	/nfs/dbraw/zinc/36/24/15/958362415.db2.gz	IZDUVKCKLBIBRJ-ZJUUUORDSA-N	-1	0	269.297	0.865	20	30		CCEDRM
C=C(Cl)CNC(=O)[C@@H]1CCCN(CC(=O)[O-])C1=O	ZINC001588445580	958374341	/nfs/dbraw/zinc/37/43/41/958374341.db2.gz	LPKVENVYBSQLFF-QMMMGPOBSA-N	-1	0	274.704	0.178	20	30		CCEDRM
C=C[C@](C)(O)CC(=O)NC[C@H](C(=O)[O-])C1CCC1	ZINC001588451076	958404314	/nfs/dbraw/zinc/40/43/14/958404314.db2.gz	LNNGCQJMXHXBQI-GWCFXTLKSA-N	-1	0	255.314	0.931	20	30		CCEDRM
C=C[C@@H](O)c1nnc(N2CC[C@H](C(=O)[O-])C2)n1CC1CC1	ZINC001588452425	958421877	/nfs/dbraw/zinc/42/18/77/958421877.db2.gz	OWMJZYLNUBENGY-WDEREUQCSA-N	-1	0	292.339	0.818	20	30		CCEDRM
C#CCN(CC(=O)[O-])C(=O)[C@H]1CCCC[C@H]1C(=O)OC	ZINC001573317734	958454641	/nfs/dbraw/zinc/45/46/41/958454641.db2.gz	MXHPWJGOWFNKPG-WDEREUQCSA-N	-1	0	281.308	0.512	20	30		CCEDRM
C#CCN(CC(=O)[O-])C(=O)N[C@@H](CC)COCC1CC1	ZINC001573318635	958467058	/nfs/dbraw/zinc/46/70/58/958467058.db2.gz	YWCNLEGVCOCEIY-LBPRGKRZSA-N	-1	0	282.340	0.921	20	30		CCEDRM
C#C[C@@H](NC(=O)[C@H]1CCCN(CC(=O)[O-])C1=O)C(C)(C)C	ZINC001573318772	958468841	/nfs/dbraw/zinc/46/88/41/958468841.db2.gz	RQJSCPRVDBJVLD-GHMZBOCLSA-N	-1	0	294.351	0.474	20	30		CCEDRM
C=CCCn1cc(C(=O)Nc2cc(C(=O)[O-])n[nH]2)nn1	ZINC001588460518	958476206	/nfs/dbraw/zinc/47/62/06/958476206.db2.gz	MNSNCMININOBQW-UHFFFAOYSA-N	-1	0	276.256	0.528	20	30		CCEDRM
C=CCOC[C@H]1NC(=O)N(C[C@H](C(=O)[O-])C(C)C)C1=O	ZINC001588465221	958498223	/nfs/dbraw/zinc/49/82/23/958498223.db2.gz	RCRICFNKBLDAEA-VHSXEESVSA-N	-1	0	284.312	0.466	20	30		CCEDRM
C=CCOc1ccc(CC(=O)NC[C@](C)(O)C(=O)[O-])cc1	ZINC001588466238	958508573	/nfs/dbraw/zinc/50/85/73/958508573.db2.gz	BVCOCOKRYWYWQA-HNNXBMFYSA-N	-1	0	293.319	0.746	20	30		CCEDRM
C=CCn1c(C)nnc1N1C[C@@H]2COC[C@]2(C(=O)[O-])C1	ZINC001588473473	958551368	/nfs/dbraw/zinc/55/13/68/958551368.db2.gz	ZURRDSPNQKPBFF-ZWNOBZJWSA-N	-1	0	278.312	0.310	20	30		CCEDRM
CC(=O)NCCN(C(=O)c1coc(C#N)c1)[C@H](C)C(=O)[O-]	ZINC001573348568	958553628	/nfs/dbraw/zinc/55/36/28/958553628.db2.gz	HEYDSXLCRASCAA-MRVPVSSYSA-N	-1	0	293.279	0.203	20	30		CCEDRM
C=CCn1cc(C(=O)O[C@H](C(=O)[O-])C2CC2)nn1	ZINC001588475041	958560708	/nfs/dbraw/zinc/56/07/08/958560708.db2.gz	UXJQOBMBAZHVGF-VIFPVBQESA-N	-1	0	251.242	0.484	20	30		CCEDRM
C=CCn1c([C@H](C)O)nnc1N1CCC[C@@H](C(=O)[O-])C1	ZINC001588475355	958561953	/nfs/dbraw/zinc/56/19/53/958561953.db2.gz	YUAGCZYAJJYAPW-VHSXEESVSA-N	-1	0	280.328	0.818	20	30		CCEDRM
CC#CC[C@@H](CO)NC(=O)c1ccc(C(=O)[O-])cn1	ZINC001588478456	958566892	/nfs/dbraw/zinc/56/68/92/958566892.db2.gz	AMNXXCJBKIJIDG-JTQLQIEISA-N	-1	0	262.265	0.284	20	30		CCEDRM
C[C@](C#N)(CC(=O)[O-])C(=O)N[C@H](CC#N)C(F)(F)F	ZINC001573359535	958584851	/nfs/dbraw/zinc/58/48/51/958584851.db2.gz	BULGXIHANFALOV-HZGVNTEJSA-N	-1	0	277.202	0.952	20	30		CCEDRM
C[C@H](C(=O)N1CCCC[C@H]1C(=O)[O-])n1cnc(C#N)n1	ZINC001573362431	958598884	/nfs/dbraw/zinc/59/88/84/958598884.db2.gz	BADKDMFNSMXTBB-BDAKNGLRSA-N	-1	0	277.284	0.176	20	30		CCEDRM
C[C@](C#N)(CC(=O)[O-])C(=O)N1CCN(c2ncc[nH]2)CC1	ZINC001588538476	958941126	/nfs/dbraw/zinc/94/11/26/958941126.db2.gz	ISLQDIBGPGOEHB-CYBMUJFWSA-N	-1	0	291.311	0.063	20	30		CCEDRM
CC(C)(C)n1nnnc1COC(=O)[C@@](C)(C#N)CC(=O)[O-]	ZINC001588543595	958981357	/nfs/dbraw/zinc/98/13/57/958981357.db2.gz	OCQVQZUBNQRDKP-GFCCVEGCSA-N	-1	0	295.299	0.476	20	30		CCEDRM
C[C@H](C#N)CN(C)C(=O)[C@@H]1CO[C@@H](CCC(=O)[O-])C1	ZINC001588543789	958984027	/nfs/dbraw/zinc/98/40/27/958984027.db2.gz	RUZVRVFLZZGUKV-VWYCJHECSA-N	-1	0	268.313	0.874	20	30		CCEDRM
C[C@@H](C(=O)N1CCC(C)(C(=O)[O-])CC1)n1cnc(C#N)n1	ZINC001588549158	959009046	/nfs/dbraw/zinc/00/90/46/959009046.db2.gz	SPWATYUISNINSA-VIFPVBQESA-N	-1	0	291.311	0.424	20	30		CCEDRM
C#CC[C@H](NC(=O)Cc1noc2ccccc12)C(=O)[O-]	ZINC000149828177	959029354	/nfs/dbraw/zinc/02/93/54/959029354.db2.gz	PMSRWGOWXSGXPT-JTQLQIEISA-N	-1	0	272.260	0.963	20	30		CCEDRM
CC(C)C[C@@](C)(C#N)NC(=O)c1cn(CC(=O)[O-])nn1	ZINC001573501238	959064648	/nfs/dbraw/zinc/06/46/48/959064648.db2.gz	GYNSXOUBXVFUIT-LBPRGKRZSA-N	-1	0	279.300	0.421	20	30		CCEDRM
C[C@@](C#N)(CC(=O)[O-])C(=O)NCc1cc2n(n1)CCCC2	ZINC001588558238	959081440	/nfs/dbraw/zinc/08/14/40/959081440.db2.gz	PMOUCKLPSYXYQL-AWEZNQCLSA-N	-1	0	290.323	0.840	20	30		CCEDRM
C[C@](C#N)(CC(=O)[O-])C(=O)NCc1ccc(CO)cc1	ZINC001588558513	959087479	/nfs/dbraw/zinc/08/74/79/959087479.db2.gz	XPXWKLRZAXZSPN-CQSZACIVSA-N	-1	0	276.292	0.800	20	30		CCEDRM
CC#CCNC(=O)Nc1ccc(C(=O)NCC(=O)[O-])cc1	ZINC000161137970	959167268	/nfs/dbraw/zinc/16/72/68/959167268.db2.gz	KYOYIEYFZIVPDY-UHFFFAOYSA-N	-1	0	289.291	0.646	20	30		CCEDRM
Cc1[nH]nc(NC(=O)c2cnc(C(=O)[O-])cn2)c1C#N	ZINC001594441992	959285936	/nfs/dbraw/zinc/28/59/36/959285936.db2.gz	UIBIOAJHKIVMNI-UHFFFAOYSA-N	-1	0	272.224	0.330	20	30		CCEDRM
C[C@@H](CC(=O)[O-])NS(=O)(=O)c1ccc(C#N)cn1	ZINC001573575779	959327237	/nfs/dbraw/zinc/32/72/37/959327237.db2.gz	YJOWEMRZHSRAHB-ZETCQYMHSA-N	-1	0	269.282	0.095	20	30		CCEDRM
C[N+](C)(C)CC(=O)N=NC=c1ccc(=C([O-])[O-])cc1	ZINC001594247972	959596993	/nfs/dbraw/zinc/59/69/93/959596993.db2.gz	YJBYUQDGTVVGFF-UHFFFAOYSA-O	-1	0	264.305	0.291	20	30		CCEDRM
C[C@H]1C[C@@H](C(=O)[O-])CN(c2cnc(C#N)c(C#N)n2)C1	ZINC001573698065	959797002	/nfs/dbraw/zinc/79/70/02/959797002.db2.gz	FMQCOXFSVGTNDD-DTWKUNHWSA-N	-1	0	271.280	0.767	20	30		CCEDRM
C#CC[C@@H](NS(=O)(=O)N1CCC[C@@H](C)C1)C(=O)[O-]	ZINC000227519597	959951975	/nfs/dbraw/zinc/95/19/75/959951975.db2.gz	HSDJEHWDPILUKZ-NXEZZACHSA-N	-1	0	274.342	0.029	20	30		CCEDRM
C#CCNCC(=O)N1CCc2ccc(C(=O)[O-])cc21	ZINC000228523542	960021396	/nfs/dbraw/zinc/02/13/96/960021396.db2.gz	KKNMPBNQZRATSK-UHFFFAOYSA-N	-1	0	258.277	0.497	20	30		CCEDRM
C[C@H](OC(=O)[C@@](C)(C#N)CC(=O)[O-])C(=O)C1CC1	ZINC001603269162	972474321	/nfs/dbraw/zinc/47/43/21/972474321.db2.gz	UQUQXLBSEYLNGI-JVXZTZIISA-N	-1	0	253.254	0.902	20	30		CCEDRM
C[C@@]1(C(=O)[O-])CCCN1S(=O)(=O)c1cccnc1C#N	ZINC000235426633	960431704	/nfs/dbraw/zinc/43/17/04/960431704.db2.gz	VPQOTMUTEIAATN-LBPRGKRZSA-N	-1	0	295.320	0.581	20	30		CCEDRM
COc1cncc(CNC(=O)[C@](C)(C#N)CC(=O)[O-])c1	ZINC001574238116	960444985	/nfs/dbraw/zinc/44/49/85/960444985.db2.gz	JTNMYRWSJNKHCK-ZDUSSCGKSA-N	-1	0	277.280	0.711	20	30		CCEDRM
COc1ncc(NC(=O)[C@@](C)(C#N)CC(=O)[O-])cc1C#N	ZINC001574244114	960477915	/nfs/dbraw/zinc/47/79/15/960477915.db2.gz	CPKXGSCVGRZHCW-CYBMUJFWSA-N	-1	0	288.263	0.905	20	30		CCEDRM
C[C@@](O)(CNC(=O)[C@@H]1C[C@H]1c1cccc(C#N)c1)C(=O)[O-]	ZINC001571034442	960503565	/nfs/dbraw/zinc/50/35/65/960503565.db2.gz	HJDGMVSBDTYYRG-YWPYICTPSA-N	-1	0	288.303	0.614	20	30		CCEDRM
Cn1ccnc1CNC(=O)N1CCC(C#N)(C(=O)[O-])CC1	ZINC001571040382	960561150	/nfs/dbraw/zinc/56/11/50/960561150.db2.gz	CEOHCXYEFZZUHI-UHFFFAOYSA-N	-1	0	291.311	0.320	20	30		CCEDRM
CN(CC(=O)[O-])Cc1cn(-c2ccccc2C#N)nn1	ZINC001604114045	972517750	/nfs/dbraw/zinc/51/77/50/972517750.db2.gz	XRHWLRUFRYGCIW-UHFFFAOYSA-N	-1	0	271.280	0.655	20	30		CCEDRM
N#C[C@H]1CN(C(=O)NC[C@H]2C[C@H]2C(=O)[O-])CCN1C1CC1	ZINC001571045459	960621188	/nfs/dbraw/zinc/62/11/88/960621188.db2.gz	SGKGVYWAGSKHKU-ADEWGFFLSA-N	-1	0	292.339	0.089	20	30		CCEDRM
Cc1oc(C#N)cc1C(=O)N[C@H](CC1OCCO1)C(=O)[O-]	ZINC001571052696	960694584	/nfs/dbraw/zinc/69/45/84/960694584.db2.gz	NMLLQGUIDUIFKD-SNVBAGLBSA-N	-1	0	294.263	0.406	20	30		CCEDRM
Cc1cc(C#N)cc(N2C[C@H]3COC[C@@]3(C(=O)[O-])C2)n1	ZINC001574307962	960753544	/nfs/dbraw/zinc/75/35/44/960753544.db2.gz	NYNXXPOVMBNEPY-FZMZJTMJSA-N	-1	0	273.292	0.799	20	30		CCEDRM
CC[C@H](NC(=O)[C@](C)(C#N)CC(=O)[O-])c1noc(C)n1	ZINC001573808360	960863166	/nfs/dbraw/zinc/86/31/66/960863166.db2.gz	CDNWIORUNFVZRF-UFBFGSQYSA-N	-1	0	280.284	0.950	20	30		CCEDRM
CCCC(C#N)(CCC)NC(=O)c1cn(CC(=O)[O-])nn1	ZINC001573832370	961037810	/nfs/dbraw/zinc/03/78/10/961037810.db2.gz	UXYWAHKKTZKKGA-UHFFFAOYSA-N	-1	0	293.327	0.955	20	30		CCEDRM
CC(C)(CCC#N)CNC(=O)[C@@H]1CC(C(=O)[O-])=NO1	ZINC001588758778	961238046	/nfs/dbraw/zinc/23/80/46/961238046.db2.gz	ZKOYRSJDNIBCBT-VIFPVBQESA-N	-1	0	267.285	0.662	20	30		CCEDRM
CC(C)(CCC(=O)[O-])NS(=O)(=O)CC1(C#N)CC1	ZINC001588768080	961253014	/nfs/dbraw/zinc/25/30/14/961253014.db2.gz	HOISRTSUWCLCSH-UHFFFAOYSA-N	-1	0	274.342	0.853	20	30		CCEDRM
Cc1nc(C(=O)Nc2n[nH]cc2C(=O)[O-])ccc1C#N	ZINC001574417083	961324499	/nfs/dbraw/zinc/32/44/99/961324499.db2.gz	GGEBKDJPBQLJOW-UHFFFAOYSA-N	-1	0	271.236	0.935	20	30		CCEDRM
N#C[C@H]1CN(C(=O)[C@@H]2CC[C@H]2C(=O)[O-])CCN1C1CC1	ZINC001574480603	961665459	/nfs/dbraw/zinc/66/54/59/961665459.db2.gz	NABXAQAGBUWSGT-QJPTWQEYSA-N	-1	0	277.324	0.296	20	30		CCEDRM
N#Cc1ccc([C@H](O)C(=O)Nc2cc(C(=O)[O-])n[nH]2)cc1	ZINC001574486051	961682100	/nfs/dbraw/zinc/68/21/00/961682100.db2.gz	PUDACGARDXHZMR-NSHDSACASA-N	-1	0	286.247	0.652	20	30		CCEDRM
N#Cc1ccc(CNC(=O)c2cc(C(=O)[O-])n[nH]2)cc1	ZINC001574487677	961686884	/nfs/dbraw/zinc/68/68/84/961686884.db2.gz	FKIWMUQKTNNYLW-UHFFFAOYSA-N	-1	0	270.248	0.910	20	30		CCEDRM
CCn1cncc(NC(=O)[C@](C)(C#N)CC(=O)[O-])c1=O	ZINC001573972210	961741893	/nfs/dbraw/zinc/74/18/93/961741893.db2.gz	NZKSPMKDNNBVPW-LBPRGKRZSA-N	-1	0	278.268	0.206	20	30		CCEDRM
COC(=O)c1cc(NC(=O)[C@@](C)(C#N)CC(=O)[O-])on1	ZINC001574083084	962303710	/nfs/dbraw/zinc/30/37/10/962303710.db2.gz	GAQHPRRITBAMRW-LLVKDONJSA-N	-1	0	281.224	0.404	20	30		CCEDRM
C#C[C@H](NC(=O)N1C[C@@H](C)[C@H](CC(=O)[O-])C1)[C@@H]1CCCO1	ZINC001573303377	962675245	/nfs/dbraw/zinc/67/52/45/962675245.db2.gz	XFENLFPOPGPUMI-NDBYEHHHSA-N	-1	0	294.351	0.919	20	30		CCEDRM
C=C(C)C[C@H](NC(=O)[C@H]1CC[C@@H](C(N)=O)C1)C(=O)[O-]	ZINC001573319831	962746685	/nfs/dbraw/zinc/74/66/85/962746685.db2.gz	BIWRWUGWZRUJFO-UTLUCORTSA-N	-1	0	268.313	0.424	20	30		CCEDRM
C=C(CCC(=O)[O-])C(=O)N[C@@](C)(CC)C(=O)OC	ZINC001573331873	962818255	/nfs/dbraw/zinc/81/82/55/962818255.db2.gz	CVTFMPBHTNPCTA-LBPRGKRZSA-N	-1	0	257.286	0.865	20	30		CCEDRM
C=C(CCC(=O)[O-])C(=O)NC(C)(C)CC(=O)OC	ZINC001573331998	962822858	/nfs/dbraw/zinc/82/28/58/962822858.db2.gz	GNYMVALEXLIHGX-UHFFFAOYSA-N	-1	0	257.286	0.865	20	30		CCEDRM
C=C(CCC(=O)[O-])C(=O)Nc1c[nH]c(C(N)=O)c1	ZINC001573336954	962862243	/nfs/dbraw/zinc/86/22/43/962862243.db2.gz	JCZVDJRCXJBTHJ-UHFFFAOYSA-N	-1	0	251.242	0.473	20	30		CCEDRM
C=C(CO)C(=O)N(C)[C@@H](COC1CCC1)C(=O)[O-]	ZINC001573338510	962875554	/nfs/dbraw/zinc/87/55/54/962875554.db2.gz	CWVNGHYRXPJNII-JTQLQIEISA-N	-1	0	257.286	0.016	20	30		CCEDRM
C=CCC(C)(C)C(=O)N[C@@H]1CCN(C(=O)CNC(=O)[O-])C1	ZINC001573350421	962969102	/nfs/dbraw/zinc/96/91/02/962969102.db2.gz	HWRLNFUQVPQEEH-SNVBAGLBSA-N	-1	0	297.355	0.573	20	30		CCEDRM
C=CCC(F)(F)C(=O)NC1(C(=O)[O-])CCOCC1	ZINC001573351790	962981669	/nfs/dbraw/zinc/98/16/69/962981669.db2.gz	YHWYRQWUZUPEHY-UHFFFAOYSA-N	-1	0	263.240	0.948	20	30		CCEDRM
C=CCCCC(=O)NCCN(C)C(=O)[C@@H]1C[C@@H]1C(=O)[O-]	ZINC001573356467	963007346	/nfs/dbraw/zinc/00/73/46/963007346.db2.gz	BYZWHJKBNHWOOF-MNOVXSKESA-N	-1	0	282.340	0.638	20	30		CCEDRM
C[C@@H]1CN(Cc2cncc(C#N)c2)C[C@@H](C(=O)[O-])O1	ZINC001570976085	963055018	/nfs/dbraw/zinc/05/50/18/963055018.db2.gz	AUYQRHGMXABLGP-SKDRFNHKSA-N	-1	0	261.281	0.627	20	30		CCEDRM
C=CCOC[C@H](NCc1ccc(C)nn1)C(=O)[O-]	ZINC001573369766	963101708	/nfs/dbraw/zinc/10/17/08/963101708.db2.gz	ZQGWCHUORSQVRQ-NSHDSACASA-N	-1	0	251.286	0.530	20	30		CCEDRM
C=C[C@@H]1OCC[C@H]1C(=O)N(CCOC)CCC(=O)[O-]	ZINC001573379570	963108331	/nfs/dbraw/zinc/10/83/31/963108331.db2.gz	NTWRTNCHNJVYIQ-MNOVXSKESA-N	-1	0	271.313	0.527	20	30		CCEDRM
N#Cc1ccc(C(=O)NC[C@]2(C(=O)[O-])CCOC2)cn1	ZINC001571002326	963221932	/nfs/dbraw/zinc/22/19/32/963221932.db2.gz	UERAWKYWERFHNQ-CYBMUJFWSA-N	-1	0	275.264	0.174	20	30		CCEDRM
CCC[C@@H](NC(=O)CNc1ccc(C#N)cn1)C(=O)[O-]	ZINC001571005640	963242943	/nfs/dbraw/zinc/24/29/43/963242943.db2.gz	SOGOMTRJUWLFCP-SNVBAGLBSA-N	-1	0	276.296	0.735	20	30		CCEDRM
N#Cc1sc(N2CCO[C@@H](C(=O)[O-])C2)nc1Cl	ZINC000310462286	963410278	/nfs/dbraw/zinc/41/02/78/963410278.db2.gz	BBAPAQQOBGORBJ-RXMQYKEDSA-N	-1	0	273.701	0.958	20	30		CCEDRM
CC[C@@](C)(NS(=O)(=O)c1cncc(C#N)c1)C(=O)[O-]	ZINC000312049576	963530914	/nfs/dbraw/zinc/53/09/14/963530914.db2.gz	BJPYJKJJADEPPG-LLVKDONJSA-N	-1	0	283.309	0.485	20	30		CCEDRM
C#CCCCC(=O)NC[C@H](C)Nc1ccnc(C(=O)[O-])n1	ZINC001588435364	964021214	/nfs/dbraw/zinc/02/12/14/964021214.db2.gz	NKCZYOWUFDVXOF-JTQLQIEISA-N	-1	0	290.323	0.317	20	30		CCEDRM
C#CCCCC(=O)N[C@H](C)CNc1ncc(C(=O)[O-])cn1	ZINC001588439982	964034165	/nfs/dbraw/zinc/03/41/65/964034165.db2.gz	JMPUSVAKZWUGGY-SNVBAGLBSA-N	-1	0	290.323	0.895	20	30		CCEDRM
C#CCCCCNC(=O)Cn1cccc(C(=O)[O-])c1=O	ZINC001588441791	964054193	/nfs/dbraw/zinc/05/41/93/964054193.db2.gz	KJUZSRNXWLOWAX-UHFFFAOYSA-N	-1	0	276.292	0.466	20	30		CCEDRM
C=C(C)CONC(=O)Nc1ccn(CC(=O)[O-])n1	ZINC001588442439	964057549	/nfs/dbraw/zinc/05/75/49/964057549.db2.gz	IPOWIPRIXKUDHK-UHFFFAOYSA-N	-1	0	254.246	0.597	20	30		CCEDRM
C#CCCN(CN1C[C@@H](C(=O)[O-])OC1=O)CC(F)(F)F	ZINC001588448264	964095586	/nfs/dbraw/zinc/09/55/86/964095586.db2.gz	ZLIRXVFFZXLZSQ-QMMMGPOBSA-N	-1	0	294.229	0.737	20	30		CCEDRM
C#CCN(CC(=O)[O-])Cc1cc(=O)n2c(C)csc2n1	ZINC000092481738	967595551	/nfs/dbraw/zinc/59/55/51/967595551.db2.gz	PHDUSZNRVGKZRB-UHFFFAOYSA-N	-1	0	291.332	0.584	20	30		CCEDRM
C#CCN(CC(=O)[O-])C(=O)CCOCC(F)(F)F	ZINC000092478299	967595591	/nfs/dbraw/zinc/59/55/91/967595591.db2.gz	XHSCKHLVKCASAM-UHFFFAOYSA-N	-1	0	267.203	0.502	20	30		CCEDRM
C#CCN(CC(=O)[O-])C(=O)NC[C@H]1CCCSC1	ZINC000384053111	968120316	/nfs/dbraw/zinc/12/03/16/968120316.db2.gz	JGLLOHSJSXHLAW-SNVBAGLBSA-N	-1	0	270.354	0.859	20	30		CCEDRM
C=CC[C@@H](CC)NC(=O)c1cn(CC(=O)[O-])nn1	ZINC000393770215	968211582	/nfs/dbraw/zinc/21/15/82/968211582.db2.gz	XSDDHMXRRRUMTL-MRVPVSSYSA-N	-1	0	252.274	0.447	20	30		CCEDRM
C[C@](C#N)(CC(=O)[O-])C(=O)N1CC[C@H](n2cccn2)C1	ZINC001609691649	970450483	/nfs/dbraw/zinc/45/04/83/970450483.db2.gz	ZMXOFGVTVJLXOQ-GXFFZTMASA-N	-1	0	276.296	0.661	20	30		CCEDRM
CC[C@@]1(C)NC(=O)N(N=CCCCC(=O)[O-])C1=O	ZINC001610184947	970694701	/nfs/dbraw/zinc/69/47/01/970694701.db2.gz	SECOXJGLGJAFJG-LLVKDONJSA-N	-1	0	255.274	0.948	20	30		CCEDRM
C=CC[C@@H](CO)NS(=O)(=O)c1cc(C(=O)[O-])ccc1C	ZINC000321085143	970742367	/nfs/dbraw/zinc/74/23/67/970742367.db2.gz	IVBWPIXQVUFXMC-NSHDSACASA-N	-1	0	299.348	0.909	20	30		CCEDRM
C[C@@H]1C[C@@]1(C(=O)[O-])C(=O)NCCNc1ncccc1C#N	ZINC001605034418	972645160	/nfs/dbraw/zinc/64/51/60/972645160.db2.gz	INZNYVCUEAQCJK-OTYXRUKQSA-N	-1	0	288.307	0.592	20	30		CCEDRM
COC(=O)CC[C@H](NC(=O)C1(C#N)CC(C)C1)C(=O)[O-]	ZINC001604318272	972989062	/nfs/dbraw/zinc/98/90/62/972989062.db2.gz	RISULUBAHUJXRP-JVVWGOMOSA-N	-1	0	282.296	0.449	20	30		CCEDRM
CO[C@H](C(=O)[O-])C(=O)Nc1ccc(C#N)cc1C(C)=O	ZINC001604434105	973229758	/nfs/dbraw/zinc/22/97/58/973229758.db2.gz	JHJCWUIUTZQHGU-NSHDSACASA-N	-1	0	276.248	0.799	20	30		CCEDRM
C[C@@H]1CN(c2nnc([C@@H]3C[C@H]3C#N)n2C)CC[C@H]1C(=O)[O-]	ZINC001603470650	973338503	/nfs/dbraw/zinc/33/85/03/973338503.db2.gz	MFTFWUGXFNXOIE-LMLFDSFASA-N	-1	0	289.339	0.989	20	30		CCEDRM
C[C@@H]1CN(c2nnc([C@@H]3C[C@@H]3C#N)n2C)CC[C@@H]1C(=O)[O-]	ZINC001603470648	973338601	/nfs/dbraw/zinc/33/86/01/973338601.db2.gz	MFTFWUGXFNXOIE-CHWFTXMASA-N	-1	0	289.339	0.989	20	30		CCEDRM
COC[C@H](C#N)OC(=O)c1ccc(C(=O)[O-])nc1	ZINC001604507559	973439624	/nfs/dbraw/zinc/43/96/24/973439624.db2.gz	HPZPVWKJRLOIPZ-QMMMGPOBSA-N	-1	0	250.210	0.475	20	30		CCEDRM
COCC(C)(C)CNC(=O)[C@](C)(C#N)CC(=O)[O-]	ZINC001604507886	973443934	/nfs/dbraw/zinc/44/39/34/973443934.db2.gz	VZYBWKJQXYXKDL-LBPRGKRZSA-N	-1	0	256.302	0.780	20	30		CCEDRM
O=C([O-])[C@H]1C[C@H](O)CN(C(=O)C#Cc2ccccc2)C1	ZINC000401909822	973522935	/nfs/dbraw/zinc/52/29/35/973522935.db2.gz	SORSRONDXSJYNQ-STQMWFEESA-N	-1	0	273.288	0.332	20	30		CCEDRM
N#Cc1sc(N2C[C@H](O)C[C@@H](C(=O)[O-])C2)nc1Cl	ZINC000401966159	973571984	/nfs/dbraw/zinc/57/19/84/973571984.db2.gz	FJQVXAIZCSUCOV-PHDIDXHHSA-N	-1	0	287.728	0.940	20	30		CCEDRM
Cc1ccc(C#N)c(N2C[C@@H](O)C[C@H](C(=O)[O-])C2)n1	ZINC000401973176	973580356	/nfs/dbraw/zinc/58/03/56/973580356.db2.gz	PMWJNFWUELZKAC-QWRGUYRKSA-N	-1	0	261.281	0.534	20	30		CCEDRM
N#CC(C(=O)COCC(=O)[O-])c1nc2ccccc2[nH]1	ZINC001605576172	973845071	/nfs/dbraw/zinc/84/50/71/973845071.db2.gz	KOZKLKXOCLUUAD-QMMMGPOBSA-N	-1	0	273.248	0.840	20	30		CCEDRM
N#CC[C@@]1(O)CCN(C(=O)[C@]2(C(=O)[O-])CC=CCC2)C1	ZINC001605581629	973859908	/nfs/dbraw/zinc/85/99/08/973859908.db2.gz	FNPUOUAVNSNLQO-KGLIPLIRSA-N	-1	0	278.308	0.675	20	30		CCEDRM
N#CC[C@H]1CCCN(C(=O)c2cc(C(=O)[O-])n[nH]2)C1	ZINC001605582308	973865962	/nfs/dbraw/zinc/86/59/62/973865962.db2.gz	ZRVASLSIAHPEFE-MRVPVSSYSA-N	-1	0	262.269	0.874	20	30		CCEDRM
N#C[C@]1(NC(=O)[C@H]2CC[C@H]2C(=O)[O-])CCSC1	ZINC001605582679	973867524	/nfs/dbraw/zinc/86/75/24/973867524.db2.gz	CSRWQPOSVSRNTP-VAOFZXAKSA-N	-1	0	254.311	0.613	20	30		CCEDRM
N#Cc1cc(C(=O)N(CC(=O)[O-])CC2CC2)ccn1	ZINC001605592090	973893449	/nfs/dbraw/zinc/89/34/49/973893449.db2.gz	UEAWZEQMWHNPFJ-UHFFFAOYSA-N	-1	0	259.265	0.890	20	30		CCEDRM
N#Cc1ccc(N[C@H](Cc2ccncc2)C(=O)[O-])nn1	ZINC001605612926	973929691	/nfs/dbraw/zinc/92/96/91/973929691.db2.gz	TUTJUIULCRTHLB-LLVKDONJSA-N	-1	0	269.264	0.851	20	30		CCEDRM
CCCN(CC(=O)[O-])C(=O)[C@@]1(C#N)CCCOC1	ZINC001603660655	974032883	/nfs/dbraw/zinc/03/28/83/974032883.db2.gz	SLDDQBGTLWKLFQ-GFCCVEGCSA-N	-1	0	254.286	0.630	20	30		CCEDRM
CC(C)OC[C@H](C(=O)[O-])N(C)C(=O)c1ccnc(C#N)c1	ZINC001591712256	975605171	/nfs/dbraw/zinc/60/51/71/975605171.db2.gz	NYMZEJWJCPMKAY-GFCCVEGCSA-N	-1	0	291.307	0.903	20	30		CCEDRM
CC(C)OC[C@H](C(=O)[O-])N(C)CCO[C@@H](C)C#N	ZINC001591712820	975611923	/nfs/dbraw/zinc/61/19/23/975611923.db2.gz	YNNSTORPXOQEBB-WDEREUQCSA-N	-1	0	258.318	0.725	20	30		CCEDRM
CC(C)OC[C@H](O)Cn1cc(C(=O)[O-])cc(C#N)c1=O	ZINC001591718601	975629298	/nfs/dbraw/zinc/62/92/98/975629298.db2.gz	RBGVQAONSGWCLR-LLVKDONJSA-N	-1	0	280.280	0.204	20	30		CCEDRM
C[C@H](/C=C\C(=O)[O-])NS(=O)(=O)CC(C)(C)CC#N	ZINC001592219790	977390012	/nfs/dbraw/zinc/39/00/12/977390012.db2.gz	VJAVBWLNSMZCPQ-XRVBUDJMSA-N	-1	0	274.342	0.875	20	30		CCEDRM
C[C@@H](CC#N)NC(=O)[C@H](CC(=O)[O-])NC(=O)OC(C)(C)C	ZINC001592221402	977398279	/nfs/dbraw/zinc/39/82/79/977398279.db2.gz	FGJWQHOUVHZHCY-IUCAKERBSA-N	-1	0	299.327	0.773	20	30		CCEDRM
C[C@H](CC(=O)[O-])CC(=O)NCC1(C#N)CCOCC1	ZINC001592385327	977927523	/nfs/dbraw/zinc/92/75/23/977927523.db2.gz	NTVMLPMGGNMJLB-JTQLQIEISA-N	-1	0	268.313	0.924	20	30		CCEDRM
CC[C@H](CC#N)NCC(=O)Nc1nc(CC(=O)[O-])cs1	ZINC001595030527	979168282	/nfs/dbraw/zinc/16/82/82/979168282.db2.gz	QYKJZCMUIMKPIL-MRVPVSSYSA-N	-1	0	296.352	0.991	20	30		CCEDRM
CC[C@@H](CC#N)NS(=O)(=O)CC1(C(=O)[O-])CCC1	ZINC001595030602	979169169	/nfs/dbraw/zinc/16/91/69/979169169.db2.gz	TWOZUUDUPAOVQP-VIFPVBQESA-N	-1	0	274.342	0.853	20	30		CCEDRM
C[C@@](CO)(NC(=O)c1cc(C#N)ccc1Cl)C(=O)[O-]	ZINC001592738661	979265117	/nfs/dbraw/zinc/26/51/17/979265117.db2.gz	FLCVHHSHBBGDLU-LBPRGKRZSA-N	-1	0	282.683	0.777	20	30		CCEDRM
C[C@@H](CS(=O)(=O)NCC(C)(C)CCC#N)C(=O)[O-]	ZINC001592807981	979480040	/nfs/dbraw/zinc/48/00/40/979480040.db2.gz	OYLGQNRRKBAYBL-VIFPVBQESA-N	-1	0	276.358	0.956	20	30		CCEDRM
CCC[C@](C)(NS(=O)(=O)CC1(C#N)CC1)C(=O)[O-]	ZINC001595558856	981438267	/nfs/dbraw/zinc/43/82/67/981438267.db2.gz	FJNLDZXCXKVOLO-JTQLQIEISA-N	-1	0	274.342	0.853	20	30		CCEDRM
CC[C@H](C(=O)[O-])C(=O)OCC(=O)NC1(C#N)CCC1	ZINC001594764335	981706426	/nfs/dbraw/zinc/70/64/26/981706426.db2.gz	FOJUNFGBBTUBER-MRVPVSSYSA-N	-1	0	268.269	0.203	20	30		CCEDRM
CC[C@](C)(C#N)C(=O)N1CCC([C@@H](O)C(=O)[O-])CC1	ZINC001594778347	981775735	/nfs/dbraw/zinc/77/57/35/981775735.db2.gz	PETIPEVNLKFIBJ-ZWNOBZJWSA-N	-1	0	268.313	0.610	20	30		CCEDRM
CCCCN(O)C(=O)CN1CCC[C@@H](C(=O)[O-])C1=O	ZINC001595747233	982413927	/nfs/dbraw/zinc/41/39/27/982413927.db2.gz	CFUQYXPMHKOUQT-SECBINFHSA-N	-1	0	272.301	0.328	20	30		CCEDRM
CC#CCNC(=O)[C@H](CC(=O)[O-])NC(=O)OC(C)(C)C	ZINC001573496971	983048795	/nfs/dbraw/zinc/04/87/95/983048795.db2.gz	CRWUYMBNODVXNW-VIFPVBQESA-N	-1	0	284.312	0.494	20	30		CCEDRM
CCC(CC)(NS(=O)(=O)c1ccc(C#N)cn1)C(=O)[O-]	ZINC001573698857	983086055	/nfs/dbraw/zinc/08/60/55/983086055.db2.gz	HGWQDXREFYQODH-UHFFFAOYSA-N	-1	0	297.336	0.875	20	30		CCEDRM
Cn1cc(NC(=O)N2CC[C@](O)(CC#N)C2)cc1C(=O)[O-]	ZINC001574213781	983195906	/nfs/dbraw/zinc/19/59/06/983195906.db2.gz	USGFTUUTUULJQJ-CYBMUJFWSA-N	-1	0	292.295	0.606	20	30		CCEDRM
C#C[C@@H](C)NC(=O)C(=O)Nc1ccsc1C(=O)[O-]	ZINC001588368444	983306558	/nfs/dbraw/zinc/30/65/58/983306558.db2.gz	NETJTVUXLCEQJO-ZCFIWIBFSA-N	-1	0	266.278	0.523	20	30		CCEDRM
C#C[C@H](C)NS(=O)(=O)c1cc(C)c(C(=O)[O-])o1	ZINC001588368943	983309648	/nfs/dbraw/zinc/30/96/48/983309648.db2.gz	WCDQMGSVVOJTRR-ZETCQYMHSA-N	-1	0	257.267	0.586	20	30		CCEDRM
C#C[C@H](CC)OC(=O)Cn1cccc(C(=O)[O-])c1=O	ZINC001588369772	983317426	/nfs/dbraw/zinc/31/74/26/983317426.db2.gz	WHBFZBWPQYIUBJ-SECBINFHSA-N	-1	0	263.249	0.502	20	30		CCEDRM
C#C[C@@H](C)NS(=O)(=O)c1cccnc1C(=O)[O-]	ZINC001588369840	983317834	/nfs/dbraw/zinc/31/78/34/983317834.db2.gz	YNFRTLRDJCMZIF-SSDOTTSWSA-N	-1	0	254.267	0.080	20	30		CCEDRM
C#C[C@@H](CO)NC(=O)Nc1ccc(OCCC(=O)[O-])cc1	ZINC001588370547	983320359	/nfs/dbraw/zinc/32/03/59/983320359.db2.gz	GYPIIGDCPHEZJA-JTQLQIEISA-N	-1	0	292.291	0.656	20	30		CCEDRM
C#C[C@H](CO)NC(=O)c1[nH]c(C)c(C(=O)[O-])c1C	ZINC001588370763	983322199	/nfs/dbraw/zinc/32/21/99/983322199.db2.gz	MXFCGCGYBAYJAH-MRVPVSSYSA-N	-1	0	250.254	0.054	20	30		CCEDRM
C#C[C@@H](NC(=O)N1CC[C@@H](C(=O)[O-])[C@@H](C)C1)[C@@H]1CCCO1	ZINC001588372775	983333493	/nfs/dbraw/zinc/33/34/93/983333493.db2.gz	SJWHJVKDGVYHKI-LOWDOPEQSA-N	-1	0	294.351	0.919	20	30		CCEDRM
C#C[C@@H](NS(=O)(=O)c1n[nH]c(C)c1C(=O)[O-])C(C)C	ZINC001588377715	983358753	/nfs/dbraw/zinc/35/87/53/983358753.db2.gz	QCAYHUSSSSYXSK-MRVPVSSYSA-N	-1	0	285.325	0.352	20	30		CCEDRM
C#CC1(O)CCN(C(=O)CC[C@@H]2C[C@H](C(=O)[O-])CO2)CC1	ZINC001588379830	983365993	/nfs/dbraw/zinc/36/59/93/983365993.db2.gz	SZCIYSHPDAODGN-NWDGAFQWSA-N	-1	0	295.335	0.243	20	30		CCEDRM
C#CC1(O)CN(CC(=O)Nc2cccc(C(=O)[O-])c2)C1	ZINC001588382483	983371674	/nfs/dbraw/zinc/37/16/74/983371674.db2.gz	PVOSHWQDOMKGLX-UHFFFAOYSA-N	-1	0	274.276	0.003	20	30		CCEDRM
C#CC1CCN(C(=O)Nc2ccn(CC(=O)[O-])n2)CC1	ZINC001588382997	983376670	/nfs/dbraw/zinc/37/66/70/983376670.db2.gz	MPPXOAUVJLTUKE-UHFFFAOYSA-N	-1	0	276.296	0.845	20	30		CCEDRM
C#C[C@@H]1CCCN(C(=O)C(=O)NC2CC(CC(=O)[O-])C2)C1	ZINC001588383000	983376723	/nfs/dbraw/zinc/37/67/23/983376723.db2.gz	VXGHQQFYOPUWFJ-VOMCLLRMSA-N	-1	0	292.335	0.228	20	30		CCEDRM
C#C[C@@H]1CCCN(CC(=O)N[C@H](C(=O)[O-])[C@H](C)CC)C1	ZINC001588383439	983381653	/nfs/dbraw/zinc/38/16/53/983381653.db2.gz	ZNZNXTCGEQAUJV-BZPMIXESSA-N	-1	0	280.368	0.947	20	30		CCEDRM
C#C[C@H]1COCCN1C(=O)CCc1ocnc1C(=O)[O-]	ZINC001588384106	983387014	/nfs/dbraw/zinc/38/70/14/983387014.db2.gz	VOIDQOKSARHWBQ-VIFPVBQESA-N	-1	0	278.264	0.166	20	30		CCEDRM
C#CC[C@@H](NC(=O)C(=O)c1ccc(C)cc1)C(=O)[O-]	ZINC001588393910	983400764	/nfs/dbraw/zinc/40/07/64/983400764.db2.gz	GHCJDXPJVOOHHV-LLVKDONJSA-N	-1	0	259.261	0.770	20	30		CCEDRM
C#CC[C@H](NC(=O)CNC(=O)c1ccccc1C)C(=O)[O-]	ZINC001588405504	983421756	/nfs/dbraw/zinc/42/17/56/983421756.db2.gz	PWXHLYAHUOEABL-LBPRGKRZSA-N	-1	0	288.303	0.318	20	30		CCEDRM
C#CC[C@@H](NC(=O)[C@H]1CC(=O)c2ccccc21)C(=O)[O-]	ZINC001588405648	983422281	/nfs/dbraw/zinc/42/22/81/983422281.db2.gz	HWGORHGIFTUMKI-NWDGAFQWSA-N	-1	0	271.272	0.949	20	30		CCEDRM
C#CC[C@H](NC(=O)COc1ccc(C=O)cc1)C(=O)[O-]	ZINC001588405923	983423406	/nfs/dbraw/zinc/42/34/06/983423406.db2.gz	VGXFPRVMZLKBMR-LBPRGKRZSA-N	-1	0	275.260	0.471	20	30		CCEDRM
C#CC[C@@H](NC(=O)CC(C)(C)CC(=O)[O-])C(=O)OC	ZINC001588407074	983427207	/nfs/dbraw/zinc/42/72/07/983427207.db2.gz	VUMVUNUJQJVEGC-SECBINFHSA-N	-1	0	269.297	0.559	20	30		CCEDRM
C#CC[C@@H](NC(=O)Cc1cccc(C(=O)OC)c1)C(=O)[O-]	ZINC001588407669	983428985	/nfs/dbraw/zinc/42/89/85/983428985.db2.gz	MBAQLGXBRMLLHQ-GFCCVEGCSA-N	-1	0	289.287	0.608	20	30		CCEDRM
C#CC[C@@H](NC(=O)c1cc(C(F)F)ncn1)C(=O)[O-]	ZINC001588413992	983432820	/nfs/dbraw/zinc/43/28/20/983432820.db2.gz	LZSJBWOAGYWXJG-ZCFIWIBFSA-N	-1	0	269.207	0.621	20	30		CCEDRM
C#CC[C@H](NC(=O)c1cc(C)c(C(=O)[O-])o1)C(=O)OC	ZINC001588414179	983433165	/nfs/dbraw/zinc/43/31/65/983433165.db2.gz	OWKKCULHNFOCGR-QMMMGPOBSA-N	-1	0	279.248	0.581	20	30		CCEDRM
C#CC[C@@H](NC(=O)c1cn(Cc2ccccc2)nn1)C(=O)[O-]	ZINC001588417112	983438665	/nfs/dbraw/zinc/43/86/65/983438665.db2.gz	YINJBGPWKYTYGU-GFCCVEGCSA-N	-1	0	298.302	0.533	20	30		CCEDRM
C#CC[C@@H](NC(=O)c1ccccc1OCC#N)C(=O)[O-]	ZINC001588417132	983438732	/nfs/dbraw/zinc/43/87/32/983438732.db2.gz	YRAOUULLCMRODV-LLVKDONJSA-N	-1	0	272.260	0.795	20	30		CCEDRM
C#CC[C@@H](NC(=O)c1ncoc1[C@@H]1CCCO1)C(=O)[O-]	ZINC001588421212	983439860	/nfs/dbraw/zinc/43/98/60/983439860.db2.gz	DJRMDLNRMBTMTF-BDAKNGLRSA-N	-1	0	278.264	0.732	20	30		CCEDRM
C#CC[C@@H](NC(=O)c1nccc2cccnc21)C(=O)[O-]	ZINC001588421435	983440860	/nfs/dbraw/zinc/44/08/60/983440860.db2.gz	JAPGCDOSNVLQRS-SNVBAGLBSA-N	-1	0	269.260	0.836	20	30		CCEDRM
C#CC[C@H](NCc1cc(C(=O)[O-])no1)C(=O)OC	ZINC001588423080	983450172	/nfs/dbraw/zinc/45/01/72/983450172.db2.gz	VZCHAMPBGKCWFB-QMMMGPOBSA-N	-1	0	252.226	0.027	20	30		CCEDRM
C#CC[C@H](NS(=O)(=O)CC[C@H]1CCCCO1)C(=O)[O-]	ZINC001588423230	983451437	/nfs/dbraw/zinc/45/14/37/983451437.db2.gz	ABCIYJQEAOHCEL-MNOVXSKESA-N	-1	0	289.353	0.342	20	30		CCEDRM
C#CC[C@H](OC(=O)CN1CCC[C@@H](C(=O)[O-])C1=O)C(C)C	ZINC001588428297	983460863	/nfs/dbraw/zinc/46/08/63/983460863.db2.gz	JKBHFKDYMRNQQQ-NEPJUHHUSA-N	-1	0	295.335	0.901	20	30		CCEDRM
C#CCN(CC#N)S(=O)(=O)c1ccccc1C(=O)[O-]	ZINC001588465917	983497500	/nfs/dbraw/zinc/49/75/00/983497500.db2.gz	NJQXBRZTIKTETK-UHFFFAOYSA-N	-1	0	278.289	0.532	20	30		CCEDRM
C#CCN(CC)c1nnnn1[C@H]1CC=C(C(=O)[O-])C1	ZINC001588468577	983501264	/nfs/dbraw/zinc/50/12/64/983501264.db2.gz	ZSZYZQUHVDTZEW-JTQLQIEISA-N	-1	0	261.285	0.479	20	30		CCEDRM
C#CCN1CCC[C@H](NC(=O)c2ccc(C(=O)[O-])cn2)C1	ZINC001588475634	983508934	/nfs/dbraw/zinc/50/89/34/983508934.db2.gz	FGSRHJXWXTUPGO-LBPRGKRZSA-N	-1	0	287.319	0.607	20	30		CCEDRM
C#CCNC(=O)N1CC[C@H](c2ncc(C(=O)[O-])s2)C1	ZINC001588484228	983523175	/nfs/dbraw/zinc/52/31/75/983523175.db2.gz	VYMPYFHTQIAFCY-QMMMGPOBSA-N	-1	0	279.321	0.973	20	30		CCEDRM
C#CCOCCC(=O)Nc1[nH]c(C(=O)[O-])cc1C(C)=O	ZINC001588489865	983529446	/nfs/dbraw/zinc/52/94/46/983529446.db2.gz	NNTUWTBMNHGWMI-UHFFFAOYSA-N	-1	0	278.264	0.894	20	30		CCEDRM
CCN([C@H](C)C#N)S(=O)(=O)CC1(C(=O)[O-])CC1	ZINC001596179011	983549085	/nfs/dbraw/zinc/54/90/85/983549085.db2.gz	XZKSDTDEKSFHOK-MRVPVSSYSA-N	-1	0	260.315	0.415	20	30		CCEDRM
C#Cc1ccc(C(=O)NCc2ocnc2C(=O)[O-])cn1	ZINC001588516172	983560474	/nfs/dbraw/zinc/56/04/74/983560474.db2.gz	BZUDFNYSFHILNL-UHFFFAOYSA-N	-1	0	271.232	0.679	20	30		CCEDRM
C#Cc1ccc(NC(=O)NCCOCC(=O)[O-])cc1	ZINC001588518199	983568523	/nfs/dbraw/zinc/56/85/23/983568523.db2.gz	VFPSYAHKCULQRU-UHFFFAOYSA-N	-1	0	262.265	0.891	20	30		CCEDRM
C#Cc1ccccc1CC(=O)N[C@H]1CCO[C@H]1C(=O)[O-]	ZINC001588528806	983578327	/nfs/dbraw/zinc/57/83/27/983578327.db2.gz	HSLNBASPFPHFAQ-GXTWGEPZSA-N	-1	0	273.288	0.569	20	30		CCEDRM
C#Cc1cncc(C(=O)N2CCC([C@@H](O)C(=O)[O-])CC2)c1	ZINC001588528858	983578533	/nfs/dbraw/zinc/57/85/33/983578533.db2.gz	KAYMUYNDDIMVSK-CYBMUJFWSA-N	-1	0	288.303	0.361	20	30		CCEDRM
C=C(C)[C@H](CC(=O)N[C@H](C(=O)[O-])[C@@H](C)O)OCC	ZINC001588536012	983591657	/nfs/dbraw/zinc/59/16/57/983591657.db2.gz	TVCNVLBSUYRJGJ-YWVKMMECSA-N	-1	0	259.302	0.308	20	30		CCEDRM
C=C(C)C[C@@H](CO)NC(=O)c1cc(C(=O)[O-])nn1C	ZINC001588537801	983602229	/nfs/dbraw/zinc/60/22/29/983602229.db2.gz	YLKTZDMJNDWIBT-QMMMGPOBSA-N	-1	0	267.285	0.175	20	30		CCEDRM
C=C(C)C[C@@H](NC(=O)[C@H]1CC[C@H]1C(=O)OC)C(=O)[O-]	ZINC001588544067	983612994	/nfs/dbraw/zinc/61/29/94/983612994.db2.gz	TVQYNZKXOBDEFO-IVZWLZJFSA-N	-1	0	269.297	0.721	20	30		CCEDRM
C=C(C)C[C@@H](NC(=O)c1csc(CN)n1)C(=O)[O-]	ZINC001588548793	983625710	/nfs/dbraw/zinc/62/57/10/983625710.db2.gz	UGKNGUPCJINIOU-SSDOTTSWSA-N	-1	0	269.326	0.751	20	30		CCEDRM
C=C(C)CS(=O)(=O)N[C@H]1C[C@@H](C(=O)[O-])[C@@H]2C[C@@H]21	ZINC001588576988	983655310	/nfs/dbraw/zinc/65/53/10/983655310.db2.gz	JZWVKTKUQXTOSF-RGOKHQFPSA-N	-1	0	259.327	0.591	20	30		CCEDRM
C=C(C)CS(=O)(=O)N[C@@H]1CCCn2nc(C(=O)[O-])cc21	ZINC001588577585	983657190	/nfs/dbraw/zinc/65/71/90/983657190.db2.gz	ZGFZSIBMSJZIKA-SECBINFHSA-N	-1	0	299.352	0.912	20	30		CCEDRM
C=C(CC)CNC(=O)C(=O)N1CCC[C@H]1CC(=O)[O-]	ZINC001588605640	983693801	/nfs/dbraw/zinc/69/38/01/983693801.db2.gz	JQGRMJBLZJPZTA-JTQLQIEISA-N	-1	0	268.313	0.535	20	30		CCEDRM
C=C(CCC(=O)[O-])C(=O)N1CCC[C@@H](C(=O)NC)C1	ZINC001588613696	983704785	/nfs/dbraw/zinc/70/47/85/983704785.db2.gz	CLFABMHEVREFPH-SNVBAGLBSA-N	-1	0	268.313	0.392	20	30		CCEDRM
C=C(CCC(=O)[O-])C(=O)N1CCCC[C@H]1CNC(N)=O	ZINC001588615157	983710649	/nfs/dbraw/zinc/71/06/49/983710649.db2.gz	LSLZATVPYRDKPE-JTQLQIEISA-N	-1	0	283.328	0.457	20	30		CCEDRM
C=C(CCC(=O)[O-])C(=O)N[C@H](C(N)=O)c1ccccc1	ZINC001588618809	983713091	/nfs/dbraw/zinc/71/30/91/983713091.db2.gz	AOZOONADLIQOTM-LBPRGKRZSA-N	-1	0	276.292	0.750	20	30		CCEDRM
C=C(CCC(=O)[O-])C(=O)N[C@@H](C)CC(=O)OCC	ZINC001588618995	983714118	/nfs/dbraw/zinc/71/41/18/983714118.db2.gz	HMHSPOFTDINZNE-VIFPVBQESA-N	-1	0	257.286	0.865	20	30		CCEDRM
C=C(CCC(=O)[O-])C(=O)N[C@@H]1CCC2(C1)OCCO2	ZINC001588621394	983718758	/nfs/dbraw/zinc/71/87/58/983718758.db2.gz	CLIOVKAGAQJTNI-SNVBAGLBSA-N	-1	0	269.297	0.819	20	30		CCEDRM
C=C(CCC(=O)[O-])C(=O)NC[C@@H](O)c1cncs1	ZINC001588623079	983726523	/nfs/dbraw/zinc/72/65/23/983726523.db2.gz	JLYJNTRDMVOGSN-MRVPVSSYSA-N	-1	0	270.310	0.714	20	30		CCEDRM
C=C(CCC(=O)[O-])C(=O)N[C@@H]1CCN(C(=O)CC)C1	ZINC001588623597	983729039	/nfs/dbraw/zinc/72/90/39/983729039.db2.gz	TYCZFLDJAJBZQL-SNVBAGLBSA-N	-1	0	268.313	0.535	20	30		CCEDRM
C=C(CCC(=O)[O-])C(=O)Nc1cnccc1CO	ZINC001588634044	983751710	/nfs/dbraw/zinc/75/17/10/983751710.db2.gz	PZBVVQXXXSOMSI-UHFFFAOYSA-N	-1	0	250.254	0.933	20	30		CCEDRM
C=C(Cl)CNC(=O)Nc1nn(C)cc1C(=O)[O-]	ZINC001588641363	983761957	/nfs/dbraw/zinc/76/19/57/983761957.db2.gz	ABYFLOCGLSMWPZ-UHFFFAOYSA-N	-1	0	258.665	0.992	20	30		CCEDRM
C=C(Cl)C[C@@H]1NC(=O)N(OCCCC(=O)[O-])C1=O	ZINC001588642175	983764421	/nfs/dbraw/zinc/76/44/21/983764421.db2.gz	QXBPYXCGYHSTHG-ZETCQYMHSA-N	-1	0	276.676	0.846	20	30		CCEDRM
CCN(CCNC(=O)[C@@H](C)C#N)c1ccnc(C(=O)[O-])n1	ZINC001596332620	983771014	/nfs/dbraw/zinc/77/10/14/983771014.db2.gz	KKHGTYUWRMKARW-VIFPVBQESA-N	-1	0	291.311	0.277	20	30		CCEDRM
C=C[C@H](C(=O)[O-])N1CCN(C(=O)c2cccc(O)c2)CC1	ZINC001588668913	983807414	/nfs/dbraw/zinc/80/74/14/983807414.db2.gz	COMXKPQHPAPBJA-CYBMUJFWSA-N	-1	0	290.319	0.789	20	30		CCEDRM
C=C[C@H](C(=O)[O-])N1CCN(c2nccn2C)CC1	ZINC001588668942	983808924	/nfs/dbraw/zinc/80/89/24/983808924.db2.gz	DMESTDBZOGEJHB-SNVBAGLBSA-N	-1	0	250.302	0.181	20	30		CCEDRM
C=C[C@](C)(O)c1cn(Cc2nc(C(=O)[O-])co2)nn1	ZINC001588684802	983864454	/nfs/dbraw/zinc/86/44/54/983864454.db2.gz	YOQCKLDGRQLMRN-NSHDSACASA-N	-1	0	264.241	0.406	20	30		CCEDRM
C=C[C@@H](C)NC(=O)N1CC[C@H](n2cc(C(=O)[O-])nn2)C1	ZINC001588687510	983871166	/nfs/dbraw/zinc/87/11/66/983871166.db2.gz	OPBXDNPXCAQPJS-BDAKNGLRSA-N	-1	0	279.300	0.507	20	30		CCEDRM
C=C[C@H](COC)NC(=O)Nc1nn(C)cc1C(=O)[O-]	ZINC001588692829	983887469	/nfs/dbraw/zinc/88/74/69/983887469.db2.gz	KOSCTGPIMISVLZ-SSDOTTSWSA-N	-1	0	268.273	0.441	20	30		CCEDRM
C=C[C@H](COC)NC(=O)c1ccc(C(=O)[O-])nc1	ZINC001588693233	983891945	/nfs/dbraw/zinc/89/19/45/983891945.db2.gz	UMUQQBPXHDXCFP-SECBINFHSA-N	-1	0	250.254	0.711	20	30		CCEDRM
C=C[C@@H](OC(=O)[C@@H](CC(=C)C)NC(C)=O)C(=O)[O-]	ZINC001588704550	983924066	/nfs/dbraw/zinc/92/40/66/983924066.db2.gz	GDHQLFGXCHMBEY-NXEZZACHSA-N	-1	0	255.270	0.640	20	30		CCEDRM
C=C[C@H](OC(=O)CN(C)[C@@H]1CCSC1)C(=O)[O-]	ZINC001588710700	983933918	/nfs/dbraw/zinc/93/39/18/983933918.db2.gz	HVXILGFQVFKXJS-BDAKNGLRSA-N	-1	0	259.327	0.606	20	30		CCEDRM
C=CC[C@@H](CO)CNC(=O)Nc1c(C(=O)[O-])cnn1C	ZINC001588737168	984028592	/nfs/dbraw/zinc/02/85/92/984028592.db2.gz	FYUSRLXKXUNPNW-MRVPVSSYSA-N	-1	0	282.300	0.424	20	30		CCEDRM
C=CCC(F)(F)C(=O)N[C@@](C)(COC)C(=O)[O-]	ZINC001588742489	984032916	/nfs/dbraw/zinc/03/29/16/984032916.db2.gz	DYDHQUYOSBCTES-VIFPVBQESA-N	-1	0	251.229	0.804	20	30		CCEDRM
C=CCC(F)(F)C(=O)O[C@@H](C)C(=O)NCC(=O)[O-]	ZINC001588742734	984033984	/nfs/dbraw/zinc/03/39/84/984033984.db2.gz	KJTHNFXDLWQSOR-LURJTMIESA-N	-1	0	265.212	0.330	20	30		CCEDRM
C=CC[C@H](CO)NS(=O)(=O)[C@H]1CCCC[C@H]1C(=O)[O-]	ZINC001588744036	984040689	/nfs/dbraw/zinc/04/06/89/984040689.db2.gz	GSBSBYJOODGLMY-MXWKQRLJSA-N	-1	0	291.369	0.486	20	30		CCEDRM
C=CC[C@H](CO)NC(=O)Nc1ccc(C(=O)[O-])cn1	ZINC001588745447	984052333	/nfs/dbraw/zinc/05/23/33/984052333.db2.gz	ZOEUWEFQXKXGOC-SECBINFHSA-N	-1	0	265.269	0.838	20	30		CCEDRM
C=CC[C@@H](OC(=O)CS(=O)(=O)CC(C)C)C(=O)[O-]	ZINC001588753163	984082836	/nfs/dbraw/zinc/08/28/36/984082836.db2.gz	BELQSSIUCWPMEX-SECBINFHSA-N	-1	0	278.326	0.630	20	30		CCEDRM
C=CC[C@H](OC(=O)C[C@H]1CCC(=O)NC1)C(=O)[O-]	ZINC001588753481	984086315	/nfs/dbraw/zinc/08/63/15/984086315.db2.gz	IEEKNWMXLLOWRJ-BDAKNGLRSA-N	-1	0	255.270	0.475	20	30		CCEDRM
C=CC[C@@H](OC(=O)C1C[C@@H]2COC[C@H](C1)C2=O)C(=O)[O-]	ZINC001588753592	984086971	/nfs/dbraw/zinc/08/69/71/984086971.db2.gz	KHUBVRIMKWRTNZ-HUAZRZQGSA-N	-1	0	282.292	0.801	20	30		CCEDRM
C=CC[C@H](OC(=O)[C@H]1CCCN(C2CC2)C1=O)C(=O)[O-]	ZINC001588753761	984088853	/nfs/dbraw/zinc/08/88/53/984088853.db2.gz	MWMRGMRSXHUBII-QWRGUYRKSA-N	-1	0	281.308	0.960	20	30		CCEDRM
C=CC[C@@H](OC(=O)CCc1nc(C)no1)C(=O)[O-]	ZINC001588753821	984089361	/nfs/dbraw/zinc/08/93/61/984089361.db2.gz	OAVFAYMRJATOOF-MRVPVSSYSA-N	-1	0	254.242	0.883	20	30		CCEDRM
C=CC[C@@H](OC(=O)C1CCS(=O)(=O)CC1)C(=O)[O-]	ZINC001588753849	984089521	/nfs/dbraw/zinc/08/95/21/984089521.db2.gz	OPRUNELAJPPYGE-SECBINFHSA-N	-1	0	276.310	0.384	20	30		CCEDRM
C=CCC[C@@H](NC(=O)[C@H]1CC[C@@H](C(=O)[O-])O1)C(=O)OCC	ZINC001588778452	984160435	/nfs/dbraw/zinc/16/04/35/984160435.db2.gz	ASYFGGGCAXEEKT-MXWKQRLJSA-N	-1	0	299.323	0.633	20	30		CCEDRM
C=CCCC[C@@H](NC(=O)/C=C\Cn1cncn1)C(=O)[O-]	ZINC001588790070	984203411	/nfs/dbraw/zinc/20/34/11/984203411.db2.gz	PMLPVGQBMSMYNS-JPVGGKMYSA-N	-1	0	278.312	0.760	20	30		CCEDRM
C=CCCCCn1nnnc1N1CCO[C@@H](C(=O)[O-])C1	ZINC001588802316	984248938	/nfs/dbraw/zinc/24/89/38/984248938.db2.gz	HCXOHZXLOFELBX-SNVBAGLBSA-N	-1	0	281.316	0.319	20	30		CCEDRM
C=CCN(C)C(=O)C(=O)N[C@@H](C)c1ncc(C(=O)[O-])s1	ZINC001588822381	984289624	/nfs/dbraw/zinc/28/96/24/984289624.db2.gz	JNFHYCDVVBCXNA-ZETCQYMHSA-N	-1	0	297.336	0.663	20	30		CCEDRM
C=CCN1C(=O)C(=O)N(C[C@@H]2CCCC[C@@H]2C(=O)[O-])C1=O	ZINC001588832609	984324420	/nfs/dbraw/zinc/32/44/20/984324420.db2.gz	SQLRNSYGNWCIGK-UWVGGRQHSA-N	-1	0	294.307	0.854	20	30		CCEDRM
C=CCN1CC[C@H](OC(=O)c2cc(C(=O)[O-])no2)C1=O	ZINC001588838201	984336533	/nfs/dbraw/zinc/33/65/33/984336533.db2.gz	AXEQRJXMCSNNLR-QMMMGPOBSA-N	-1	0	280.236	0.317	20	30		CCEDRM
C=CCN1CC[C@H](OC(=O)CCCC(=O)[O-])C1=O	ZINC001588838876	984342487	/nfs/dbraw/zinc/34/24/87/984342487.db2.gz	KRVYLHRZKGXHDO-VIFPVBQESA-N	-1	0	255.270	0.571	20	30		CCEDRM
C=CCNC(=O)[C@@H](C#N)C(=O)Cc1ccc(C(=O)[O-])cc1	ZINC001588839769	984349540	/nfs/dbraw/zinc/34/95/40/984349540.db2.gz	VCSBYGIXOZRQPM-LBPRGKRZSA-N	-1	0	286.287	0.938	20	30		CCEDRM
C=CCOC[C@@H](NC(=O)CCc1cn(C)nc1C)C(=O)[O-]	ZINC001588853774	984386110	/nfs/dbraw/zinc/38/61/10/984386110.db2.gz	HYBDUIGBRCWPHJ-GFCCVEGCSA-N	-1	0	295.339	0.433	20	30		CCEDRM
C=CCOC[C@H](NC(=O)/C=C/c1cncc(O)c1)C(=O)[O-]	ZINC001588854336	984390082	/nfs/dbraw/zinc/39/00/82/984390082.db2.gz	WRYHQAKIPXOSFT-PCAWENJQSA-N	-1	0	292.291	0.572	20	30		CCEDRM
C=CCOC[C@H](NC(=O)/C=C\[C@H]1CCCO1)C(=O)[O-]	ZINC001588854385	984390651	/nfs/dbraw/zinc/39/06/51/984390651.db2.gz	YOGVSICRBRVLPQ-MXFLAHGMSA-N	-1	0	269.297	0.494	20	30		CCEDRM
C=CCOC[C@H](NC(=O)[C@H](O)/C=C\CCC)C(=O)[O-]	ZINC001588855237	984391778	/nfs/dbraw/zinc/39/17/78/984391778.db2.gz	DUELHCTYMIUOBA-QIAMSNJGSA-N	-1	0	271.313	0.476	20	30		CCEDRM
C=CCOC[C@@H](NC(=O)Cc1cccc(C#N)c1)C(=O)[O-]	ZINC001588856781	984401854	/nfs/dbraw/zinc/40/18/54/984401854.db2.gz	PVVXJZKDCVWUFF-CYBMUJFWSA-N	-1	0	288.303	0.873	20	30		CCEDRM
C=CCOC[C@@H](NC(=O)c1cc(CO)c(C)o1)C(=O)[O-]	ZINC001588859496	984406051	/nfs/dbraw/zinc/40/60/51/984406051.db2.gz	NKHVFYXEJCMXRR-SNVBAGLBSA-N	-1	0	283.280	0.466	20	30		CCEDRM
C=CCOC[C@@H](NC(=O)c1nccn2ccnc12)C(=O)[O-]	ZINC001588859979	984409806	/nfs/dbraw/zinc/40/98/06/984409806.db2.gz	DNIGULREOMZBRJ-SECBINFHSA-N	-1	0	290.279	0.115	20	30		CCEDRM
C=CCOC[C@H](NC(=O)c1ccc(O)cc1O)C(=O)[O-]	ZINC001588862479	984419036	/nfs/dbraw/zinc/41/90/36/984419036.db2.gz	YRZGVXYGSMOYHZ-JTQLQIEISA-N	-1	0	281.264	0.483	20	30		CCEDRM
C=CCOC[C@@H](NCc1ncccc1F)C(=O)[O-]	ZINC001588866804	984427759	/nfs/dbraw/zinc/42/77/59/984427759.db2.gz	QLHINGIYMHNZLW-LLVKDONJSA-N	-1	0	254.261	0.966	20	30		CCEDRM
C=CCOCCNC(=O)NCc1cc(C(=O)[O-])co1	ZINC001588868986	984437093	/nfs/dbraw/zinc/43/70/93/984437093.db2.gz	JMGLPAKACYFOKU-UHFFFAOYSA-N	-1	0	268.269	0.980	20	30		CCEDRM
C=CCOc1cc(OC)ccc1C(=O)N[C@@H](CO)C(=O)[O-]	ZINC001588869698	984440841	/nfs/dbraw/zinc/44/08/41/984440841.db2.gz	VMAXXUZOGHZBAJ-NSHDSACASA-N	-1	0	295.291	0.435	20	30		CCEDRM
C=CCOc1cccnc1C(=O)O[C@H](C)C(=O)C(=O)[O-]	ZINC001588878905	984456111	/nfs/dbraw/zinc/45/61/11/984456111.db2.gz	NOBGGSPGRKAXSF-MRVPVSSYSA-N	-1	0	279.248	0.845	20	30		CCEDRM
C=CCn1c(N2CCO[C@H](C(=O)[O-])C2)nnc1C(C)(C)F	ZINC001588905641	984537588	/nfs/dbraw/zinc/53/75/88/984537588.db2.gz	ZTCGBXSKMJSMEL-VIFPVBQESA-N	-1	0	298.318	0.959	20	30		CCEDRM
C=CCn1cc(C(=O)OCC2(C(=O)[O-])CCC2)nn1	ZINC001588909386	984543382	/nfs/dbraw/zinc/54/33/82/984543382.db2.gz	RTDYQVGQTJRUSG-UHFFFAOYSA-N	-1	0	265.269	0.876	20	30		CCEDRM
C=CCn1cc(C(=O)N2CCSC[C@H]2C(=O)[O-])nn1	ZINC001588910292	984548412	/nfs/dbraw/zinc/54/84/12/984548412.db2.gz	OWTYDLRMHUPNNG-VIFPVBQESA-N	-1	0	282.325	0.106	20	30		CCEDRM
C=CCn1cc(C(=O)N(C)[C@H](COC(C)C)C(=O)[O-])nn1	ZINC001588910372	984549004	/nfs/dbraw/zinc/54/90/04/984549004.db2.gz	UUVPHHIKJJQTJA-LLVKDONJSA-N	-1	0	296.327	0.414	20	30		CCEDRM
C=CCn1cc(C(=O)N(CC)C(C)(C)C(=O)[O-])nn1	ZINC001588910353	984549061	/nfs/dbraw/zinc/54/90/61/984549061.db2.gz	SEQCTCTVOJVSNM-UHFFFAOYSA-N	-1	0	266.301	0.789	20	30		CCEDRM
C=C[C@@H]1OCC[C@H]1C(=O)N[C@](C)(CCF)C(=O)[O-]	ZINC001588917378	984566888	/nfs/dbraw/zinc/56/68/88/984566888.db2.gz	YCZOUKFXGYSCBN-VDDIYKPWSA-N	-1	0	259.277	0.897	20	30		CCEDRM
C=C[C@@H]1OCC[C@H]1CNC(=S)NCCCC(=O)[O-]	ZINC001588918130	984569740	/nfs/dbraw/zinc/56/97/40/984569740.db2.gz	ZVJXDBDNBPBKHG-UWVGGRQHSA-N	-1	0	272.370	0.906	20	30		CCEDRM
CC#CCCCC(=O)N(C)CCNC(=O)[C@@H]1C[C@H]1C(=O)[O-]	ZINC001588925523	984587726	/nfs/dbraw/zinc/58/77/26/984587726.db2.gz	SAULILZHYUMPHK-VXGBXAGGSA-N	-1	0	294.351	0.475	20	30		CCEDRM
CC#CC(=O)Nc1cccc(S(=O)(=O)NCC(=O)[O-])c1	ZINC001588926050	984591038	/nfs/dbraw/zinc/59/10/38/984591038.db2.gz	HBMYGPGYCWOLPX-UHFFFAOYSA-N	-1	0	296.304	0.011	20	30		CCEDRM
CC#CCCN1C(=O)NC2(CCC(C(=O)[O-])CC2)C1=O	ZINC001588927380	984598428	/nfs/dbraw/zinc/59/84/28/984598428.db2.gz	VFMFYIHNTMHAKZ-UHFFFAOYSA-N	-1	0	278.308	0.965	20	30		CCEDRM
CC#CCN(C)C(=O)C(=O)Nc1ccccc1C(=O)[O-]	ZINC001588931043	984601155	/nfs/dbraw/zinc/60/11/55/984601155.db2.gz	JTMVFDRAOCAVSR-UHFFFAOYSA-N	-1	0	274.276	0.805	20	30		CCEDRM
CC#CCN(C)S(=O)(=O)[C@H]1CCCC[C@H]1C(=O)[O-]	ZINC001588931515	984603589	/nfs/dbraw/zinc/60/35/89/984603589.db2.gz	YGKCEZXKVQOCOO-MNOVXSKESA-N	-1	0	273.354	0.915	20	30		CCEDRM
C/C(=C/CNC(=O)c1cnn(CCC#N)c1C)C(=O)[O-]	ZINC001588980205	984859324	/nfs/dbraw/zinc/85/93/24/984859324.db2.gz	SRHYLLGNSGKCFV-WTKPLQERSA-N	-1	0	276.296	0.866	20	30		CCEDRM
CCO[C@H](C(=O)N(CC#N)CCC(=O)[O-])[C@H]1CCOC1	ZINC001596761353	985152888	/nfs/dbraw/zinc/15/28/88/985152888.db2.gz	RFEQEIWIRZDASB-JQWIXIFHSA-N	-1	0	284.312	0.255	20	30		CCEDRM
Cc1[nH]c(C#N)cc1C(=O)N[C@]1(CC(=O)[O-])CCCOC1	ZINC001599942558	985473038	/nfs/dbraw/zinc/47/30/38/985473038.db2.gz	OREDPDYYNXTKLX-AWEZNQCLSA-N	-1	0	291.307	0.949	20	30		CCEDRM
CC(=O)N[C@@H](CSCc1ccncc1C#N)C(=O)[O-]	ZINC001589159923	985497501	/nfs/dbraw/zinc/49/75/01/985497501.db2.gz	MRXJJCMQABNFRB-NSHDSACASA-N	-1	0	279.321	0.776	20	30		CCEDRM
C[C@H](C#N)C(=O)N[C@@](C)(Cn1cccn1)C(=O)[O-]	ZINC001589330110	986170237	/nfs/dbraw/zinc/17/02/37/986170237.db2.gz	YNPXVGDHRVJCQZ-KCJUWKMLSA-N	-1	0	250.258	0.002	20	30		CCEDRM
C[C@@H](C#N)CNC(=O)N[C@H]1C[C@H]2C[C@H](C(=O)[O-])C[C@H]21	ZINC001589330682	986177051	/nfs/dbraw/zinc/17/70/51/986177051.db2.gz	NKCFYAAUNYGRIR-HWUMTFDVSA-N	-1	0	265.313	0.945	20	30		CCEDRM
C[C@H](C(=O)N(CC#N)CC(=O)[O-])c1ccc2c(c1)OCO2	ZINC001589341502	986251831	/nfs/dbraw/zinc/25/18/31/986251831.db2.gz	DWBVEYNSADFMIU-VIFPVBQESA-N	-1	0	290.275	0.956	20	30		CCEDRM
C[C@@H](C(=O)NCC(=O)[O-])N1CCC[C@](C)(C#N)C1	ZINC001589397623	986540290	/nfs/dbraw/zinc/54/02/90/986540290.db2.gz	TXZXUOVUWAVZHR-JOYOIKCWSA-N	-1	0	253.302	0.201	20	30		CCEDRM
CC(C)(C#N)CC(=O)N1CC[C@@H](n2cc(C(=O)[O-])nn2)C1	ZINC001589554184	987298884	/nfs/dbraw/zinc/29/88/84/987298884.db2.gz	WYOCBOUYAFBYAB-SECBINFHSA-N	-1	0	291.311	0.690	20	30		CCEDRM
CC(C)(C#N)c1ccc(C(=O)N[C@@H](CO)C(=O)[O-])cc1	ZINC001589557564	987306712	/nfs/dbraw/zinc/30/67/12/987306712.db2.gz	DVKFUUKKJRQTFV-NSHDSACASA-N	-1	0	276.292	0.663	20	30		CCEDRM
CC(C)(C(=O)NC[C@H](O)CC(=O)[O-])c1ccc(C#N)cc1	ZINC001589571013	987341053	/nfs/dbraw/zinc/34/10/53/987341053.db2.gz	TVFPCTNOYAPHBD-GFCCVEGCSA-N	-1	0	290.319	0.788	20	30		CCEDRM
CC(C)(C)N1CCC[C@H](C(=O)N(CC#N)CC(=O)[O-])C1=O	ZINC001589818385	988272957	/nfs/dbraw/zinc/27/29/57/988272957.db2.gz	QMOUGCDNAUQQHS-SNVBAGLBSA-N	-1	0	295.339	0.460	20	30		CCEDRM
CCc1nc(C#N)cc(N2CC(c3cc(C(=O)[O-])n[nH]3)C2)n1	ZINC001597644579	988654416	/nfs/dbraw/zinc/65/44/16/988654416.db2.gz	BQJVVOIGSUKKST-UHFFFAOYSA-N	-1	0	298.306	0.936	20	30		CCEDRM
C[C@@H]1CN(S(=O)(=O)CCCCC#N)C[C@@H](C(=O)[O-])O1	ZINC001599867572	989296096	/nfs/dbraw/zinc/29/60/96/989296096.db2.gz	BKLCPKJKLKHQQD-ZJUUUORDSA-N	-1	0	290.341	0.184	20	30		CCEDRM
CN(C(=O)[C@H]([NH3+])CCC(=O)[O-])[C@H]1CCC[C@H]1C#N	ZINC001598069236	990365618	/nfs/dbraw/zinc/36/56/18/990365618.db2.gz	YNMGIDUUKKMELR-AEJSXWLSSA-N	-1	0	253.302	0.329	20	30		CCEDRM
CN(C)C[C@](C)(C#N)NC(=O)[C@H]1CCC[C@@H](C(=O)[O-])C1	ZINC001598199745	990810025	/nfs/dbraw/zinc/81/00/25/990810025.db2.gz	QIYSVDPZPVZYPY-WDMOLILDSA-N	-1	0	281.356	0.837	20	30		CCEDRM
CN(C)C[C@](C)(C#N)NC(=O)/C=C/c1ccc(C(=O)[O-])o1	ZINC001598200105	990812313	/nfs/dbraw/zinc/81/23/13/990812313.db2.gz	YYJYFMJKOBNNJK-DYLGSBMWSA-N	-1	0	291.307	0.951	20	30		CCEDRM
CC(C)[C@@](C)(C#N)NC(=O)CN1CCOC[C@@H]1CC(=O)[O-]	ZINC001590961164	991056751	/nfs/dbraw/zinc/05/67/51/991056751.db2.gz	MTORSKPVSKVHAB-SMDDNHRTSA-N	-1	0	297.355	0.216	20	30		CCEDRM
CC(C)C[C@H](NC(=O)CN(C)C[C@H](C)C#N)C(=O)[O-]	ZINC001591161015	991912027	/nfs/dbraw/zinc/91/20/27/991912027.db2.gz	FTQQHSNOGTZMRV-MNOVXSKESA-N	-1	0	269.345	0.693	20	30		CCEDRM
CC(C)C[C@@H](NC(=O)CN(C)C[C@H](C)C#N)C(=O)[O-]	ZINC001591161013	991912047	/nfs/dbraw/zinc/91/20/47/991912047.db2.gz	FTQQHSNOGTZMRV-GHMZBOCLSA-N	-1	0	269.345	0.693	20	30		CCEDRM
CC(C)C[C@H](NC(=O)CN1CC[C@@](C)(C#N)C1)C(=O)[O-]	ZINC001591167679	991937728	/nfs/dbraw/zinc/93/77/28/991937728.db2.gz	KXBZGRRDPOYLBQ-FZMZJTMJSA-N	-1	0	281.356	0.837	20	30		CCEDRM
CN(CCC#N)C(=O)C(=O)Nc1ccc(C(=O)[O-])cc1	ZINC001598468877	991993309	/nfs/dbraw/zinc/99/33/09/991993309.db2.gz	TXUSZMTWVJWQRZ-UHFFFAOYSA-N	-1	0	275.264	0.695	20	30		CCEDRM
CN(CCC(=O)[O-])S(=O)(=O)NCC(C)(C)CCC#N	ZINC001598471653	992034318	/nfs/dbraw/zinc/03/43/18/992034318.db2.gz	YVJYYMRUWQQYMO-UHFFFAOYSA-N	-1	0	291.373	0.557	20	30		CCEDRM
CS(=O)(=O)NN=Cc1cc(C(=O)[O-])c2n1CCCC2	ZINC001599760723	992117977	/nfs/dbraw/zinc/11/79/77/992117977.db2.gz	FDWPKICAJBRXLP-UHFFFAOYSA-N	-1	0	285.325	0.406	20	30		CCEDRM
CN(CCNC(=O)[C@@H]1C[C@H]1C(=O)[O-])c1ccc(C#N)cn1	ZINC001598489964	992272834	/nfs/dbraw/zinc/27/28/34/992272834.db2.gz	CODRTWSKRKJWDL-GHMZBOCLSA-N	-1	0	288.307	0.226	20	30		CCEDRM
CN(CCOCCC#N)[C@H](COC1CCC1)C(=O)[O-]	ZINC001598497574	992385505	/nfs/dbraw/zinc/38/55/05/992385505.db2.gz	JAUAXNAGQDRDQP-GFCCVEGCSA-N	-1	0	270.329	0.871	20	30		CCEDRM
CN1C[C@@H](C(=O)[O-])N(Cc2ccc(CC#N)cc2)CC1=O	ZINC001598564803	993130562	/nfs/dbraw/zinc/13/05/62/993130562.db2.gz	YPWXSHFMVGMXQK-ZDUSSCGKSA-N	-1	0	287.319	0.480	20	30		CCEDRM
COC(=O)[C@H](CCC(=O)[O-])N(C)CC(C)(C)C#N	ZINC001598697849	995171237	/nfs/dbraw/zinc/17/12/37/995171237.db2.gz	QDPQPPFFTGSMRU-VIFPVBQESA-N	-1	0	256.302	0.874	20	30		CCEDRM
COC(=O)[C@@H]1C[C@@H](C(=O)[O-])CCN1C(=O)CCCC#N	ZINC001598751156	995655194	/nfs/dbraw/zinc/65/51/94/995655194.db2.gz	UYYVBHKKWVYJPE-UWVGGRQHSA-N	-1	0	282.296	0.545	20	30		CCEDRM
COC(=O)[C@H]1C[C@H](C(=O)[O-])CCN1Cc1ccc(C#N)o1	ZINC001598758711	995752188	/nfs/dbraw/zinc/75/21/88/995752188.db2.gz	LYHDVQPONHJBPZ-BXKDBHETSA-N	-1	0	292.291	0.989	20	30		CCEDRM
COC(=O)C1CCC(NC(=O)CCCC#N)(C(=O)[O-])CC1	ZINC001598784828	996020274	/nfs/dbraw/zinc/02/02/74/996020274.db2.gz	NITHHXTWHQUEFO-UHFFFAOYSA-N	-1	0	296.323	0.983	20	30		CCEDRM
COC(=O)[C@H]1CCN(C(=O)C#CC(C)(C)C)[C@@H](C(=O)[O-])C1	ZINC001598790760	996070981	/nfs/dbraw/zinc/07/09/81/996070981.db2.gz	SMAXVPOFBMZFPQ-WDEREUQCSA-N	-1	0	295.335	0.901	20	30		CCEDRM
C[C@]1(C#N)CN(c2ncc(C(=O)[O-])s2)CCO1	ZINC001593743311	996367073	/nfs/dbraw/zinc/36/70/73/996367073.db2.gz	MUSXTMKBZYCIGD-JTQLQIEISA-N	-1	0	253.283	0.960	20	30		CCEDRM
COC(=O)CC[C@@H](NC(=O)c1cccc(C#N)n1)C(=O)[O-]	ZINC001598857626	996650947	/nfs/dbraw/zinc/65/09/47/996650947.db2.gz	DNKQGXCKCHGFKP-SNVBAGLBSA-N	-1	0	291.263	0.089	20	30		CCEDRM
COC(=O)[C@H]1[C@@H]2CN(c3ccc(C(=O)[O-])nc3C#N)C[C@@H]21	ZINC001598901599	997181337	/nfs/dbraw/zinc/18/13/37/997181337.db2.gz	HDRRYBGRLWXDMG-JDICNCQASA-N	-1	0	287.275	0.507	20	30		CCEDRM
COC1(Cn2cc(C(=O)[O-])cc(C#N)c2=O)CCC1	ZINC001599096335	997288198	/nfs/dbraw/zinc/28/81/98/997288198.db2.gz	SGMDMHGWHIZRLJ-UHFFFAOYSA-N	-1	0	262.265	0.987	20	30		CCEDRM
CON=CC(=O)NCCOc1ccc(C(=O)[O-])cc1	ZINC001599320287	997568657	/nfs/dbraw/zinc/56/86/57/997568657.db2.gz	LUYXAQGRGAYJHD-UHFFFAOYSA-N	-1	0	266.253	0.512	20	30		CCEDRM
COC(=O)c1cc(C(=O)[O-])nn1CN(C)C[C@@H](C)C#N	ZINC001598925428	997639778	/nfs/dbraw/zinc/63/97/78/997639778.db2.gz	SJEMCZUWRQQCQV-QMMMGPOBSA-N	-1	0	280.284	0.417	20	30		CCEDRM
CC1(F)CN(S(=O)(=O)c2ccc(C#N)cc2C(=O)[O-])C1	ZINC001594046958	997707999	/nfs/dbraw/zinc/70/79/99/997707999.db2.gz	IZUUINFASROMDK-UHFFFAOYSA-N	-1	0	298.295	0.989	20	30		CCEDRM
CO[C@@H]1CN(C(=O)[C@@H](C)CC#N)[C@](C)(C(=O)[O-])C1	ZINC001599129487	997915287	/nfs/dbraw/zinc/91/52/87/997915287.db2.gz	FGVNKYXCLDBGCT-AUTRQRHGSA-N	-1	0	254.286	0.627	20	30		CCEDRM
COCC#CC(=O)N1C[C@H](C(=O)[O-])c2ccccc21	ZINC001599138148	998080289	/nfs/dbraw/zinc/08/02/89/998080289.db2.gz	IWKBLZAYELEKJW-NSHDSACASA-N	-1	0	259.261	0.851	20	30		CCEDRM
C[C@@H]1C(=O)CC[C@H]1CC(=O)N(CC#N)CCC(=O)[O-]	ZINC001594121259	998277410	/nfs/dbraw/zinc/27/74/10/998277410.db2.gz	CSLXNQFZGXCULV-UWVGGRQHSA-N	-1	0	266.297	0.819	20	30		CCEDRM
COC[C@@H](NC(=O)c1ccc(CC#N)cc1)C(=O)[O-]	ZINC001599172470	998625573	/nfs/dbraw/zinc/62/55/73/998625573.db2.gz	YZMSPQFJSHYJSM-LLVKDONJSA-N	-1	0	262.265	0.582	20	30		CCEDRM
CC(C)[C@H](NC(=O)COC(=O)C1(C#N)CC(C)C1)C(=O)[O-]	ZINC001594200335	998773424	/nfs/dbraw/zinc/77/34/24/998773424.db2.gz	GDAWSRKHRSYWFV-ZQDGQSPWSA-N	-1	0	296.323	0.695	20	30		CCEDRM
Cc1nc(C(=O)[N-]N2CCCNC2=O)ccc1C#N	ZINC000273045104	192029498	/nfs/dbraw/zinc/02/94/98/192029498.db2.gz	GUOHAEFLGSQUJA-UHFFFAOYSA-N	-1	0	259.269	0.322	20	30		CCEDRM
CC(C)[C@H](CNC(=O)N1CCO[C@H](C#N)C1)C(=O)[O-]	ZINC000093937522	349557901	/nfs/dbraw/zinc/55/79/01/349557901.db2.gz	JFYLKOLSWRGZAO-ZJUUUORDSA-N	-1	0	269.301	0.277	20	30		CCEDRM
N#Cc1ccc(S(=O)(=O)N[C@H]2C=C[C@H](C(=O)[O-])C2)cc1	ZINC000092181579	290647573	/nfs/dbraw/zinc/64/75/73/290647573.db2.gz	YZIPLHUTBMPGSJ-QWRGUYRKSA-N	-1	0	292.316	0.866	20	30		CCEDRM
C[C@H](C#N)CN(C)C(=O)C(=O)N1CC[C@H](C(=O)[O-])[C@H](C)C1	ZINC000600799776	362061818	/nfs/dbraw/zinc/06/18/18/362061818.db2.gz	YDURGIMDCYUUAH-MXWKQRLJSA-N	-1	0	295.339	0.174	20	30		CCEDRM
N#Cc1ccc2c(c1)N(C(=O)c1n[nH]c(=O)[n-]c1=O)CC2	ZINC000617794382	365779359	/nfs/dbraw/zinc/77/93/59/365779359.db2.gz	XAAFKYDDQIECBI-UHFFFAOYSA-N	-1	0	283.247	0.357	20	30		CCEDRM
CCn1cc(C(=O)Nc2nc(C#N)c(C#N)[n-]2)cn1	ZINC000114537214	349834417	/nfs/dbraw/zinc/83/44/17/349834417.db2.gz	OHWXMWWWBCXTKX-UHFFFAOYSA-N	-1	0	255.241	0.622	20	30		CCEDRM
C[C@]1(C#N)CCCN(S(=O)(=O)c2ncc[n-]2)C1	ZINC000601391423	362254861	/nfs/dbraw/zinc/25/48/61/362254861.db2.gz	ORPKFBAQLGFSHP-SNVBAGLBSA-N	-1	0	254.315	0.724	20	30		CCEDRM
C[C@@H](CN(C)C(=O)C1(C#N)CC2(CC2)C1)c1nnn[n-]1	ZINC000601436411	362272471	/nfs/dbraw/zinc/27/24/71/362272471.db2.gz	GNTQUMPVUVTGPN-VIFPVBQESA-N	-1	0	274.328	0.846	20	30		CCEDRM
CC(C)(C)n1cc(C(=O)N=c2[nH][n-]cc2C#N)cn1	ZINC000601640587	362337797	/nfs/dbraw/zinc/33/77/97/362337797.db2.gz	HSZPXDQONNPLCQ-UHFFFAOYSA-N	-1	0	258.285	0.907	20	30		CCEDRM
Cn1[n-]c(C(=O)N2CC(Nc3cccc(C#N)c3)C2)cc1=O	ZINC000601677682	362351229	/nfs/dbraw/zinc/35/12/29/362351229.db2.gz	IHDPHLPYZSKBAY-UHFFFAOYSA-N	-1	0	297.318	0.934	20	30		CCEDRM
N#CCc1cccc2c1CCN(C(=O)CCc1nnn[n-]1)C2	ZINC000601683895	362355029	/nfs/dbraw/zinc/35/50/29/362355029.db2.gz	BUDANTVROWQGPJ-UHFFFAOYSA-N	-1	0	296.334	0.783	20	30		CCEDRM
C=CCOCCNC(=O)[C@H](C)S[C@@H](C)C(=O)[O-]	ZINC000601988855	362451649	/nfs/dbraw/zinc/45/16/49/362451649.db2.gz	ANCZXKDQENVAJL-IUCAKERBSA-N	-1	0	261.343	0.900	20	30		CCEDRM
C=CCSCCNC(=O)[C@@H](C)O[C@@H](C)C(=O)[O-]	ZINC000602008556	362457029	/nfs/dbraw/zinc/45/70/29/362457029.db2.gz	LTLJGASKIIJZAU-BDAKNGLRSA-N	-1	0	261.343	0.900	20	30		CCEDRM
CC(C)[C@@H]1CCCN1C(=O)Cn1cc(C#N)c(=O)[n-]c1=O	ZINC000602079598	362474609	/nfs/dbraw/zinc/47/46/09/362474609.db2.gz	CKTMEGMRKXQCDT-NSHDSACASA-N	-1	0	290.323	0.468	20	30		CCEDRM
CN(CC(C)(C)C)C(=O)CCn1cc(C#N)c(=O)[n-]c1=O	ZINC000602088894	362478796	/nfs/dbraw/zinc/47/87/96/362478796.db2.gz	CMKLLXHHOAEKKC-UHFFFAOYSA-N	-1	0	292.339	0.715	20	30		CCEDRM
CC[C@@H](C)CN(C)C(=O)Cn1cc(C#N)c(=O)[n-]c1=O	ZINC000602095250	362484033	/nfs/dbraw/zinc/48/40/33/362484033.db2.gz	ADUKQMYUFWNVIU-SECBINFHSA-N	-1	0	278.312	0.325	20	30		CCEDRM
C[C@H]1[C@H](C(=O)[O-])CCN1S(=O)(=O)c1cncc(C#N)c1	ZINC000290669227	197783183	/nfs/dbraw/zinc/78/31/83/197783183.db2.gz	OTJWZEZRESSXNZ-GZMMTYOYSA-N	-1	0	295.320	0.437	20	30		CCEDRM
CC[C@H]1CC[C@H](C)N1C(=O)Cn1cc(C#N)c(=O)[n-]c1=O	ZINC000602132599	362511608	/nfs/dbraw/zinc/51/16/08/362511608.db2.gz	YDRNUZNKMORXKD-ONGXEEELSA-N	-1	0	290.323	0.610	20	30		CCEDRM
CC1(C)CN(C(=O)CCn2cc(C#N)c(=O)[n-]c2=O)C1	ZINC000602145329	362522419	/nfs/dbraw/zinc/52/24/19/362522419.db2.gz	SACVKRVSWIBHCS-UHFFFAOYSA-N	-1	0	276.296	0.079	20	30		CCEDRM
CC[C@@H]1CCN1C(=O)CCn1cc(C#N)c(=O)[n-]c1=O	ZINC000602162354	362535668	/nfs/dbraw/zinc/53/56/68/362535668.db2.gz	XJQDXMLRLUTELO-SNVBAGLBSA-N	-1	0	276.296	0.222	20	30		CCEDRM
Cc1c(C#N)c(=NC(=O)[C@@H]2C[C@@H](C)O[C@@H]2C)[n-]n1C	ZINC000602347559	362593980	/nfs/dbraw/zinc/59/39/80/362593980.db2.gz	HZGIDGCMVGCDFI-SZEHBUNVSA-N	-1	0	262.313	0.774	20	30		CCEDRM
CC(C)CN(C)C(=O)C(=O)N=c1[n-]n(C(C)C)cc1C#N	ZINC000359129616	535014612	/nfs/dbraw/zinc/01/46/12/535014612.db2.gz	FLYLFTKYVPDXFB-UHFFFAOYSA-N	-1	0	291.355	0.810	20	30		CCEDRM
C[C@H](NS(=O)(=O)c1ccc(C#N)cc1F)C(=O)[O-]	ZINC000534798849	290817337	/nfs/dbraw/zinc/81/73/37/290817337.db2.gz	UUHLDZAUQRHQHH-LURJTMIESA-N	-1	0	272.257	0.449	20	30		CCEDRM
COc1n[nH]c([N-]S(=O)(=O)c2ccc(C#N)c(C)c2)n1	ZINC000234989793	136964680	/nfs/dbraw/zinc/96/46/80/136964680.db2.gz	BEVLTSCQLDHRMI-UHFFFAOYSA-N	-1	0	293.308	0.794	20	30		CCEDRM
N#Cc1ccc(S(=O)(=O)[N-]c2ccc(C#N)cn2)o1	ZINC000342466500	137095404	/nfs/dbraw/zinc/09/54/04/137095404.db2.gz	RDEXPVVDNXMQBD-UHFFFAOYSA-N	-1	0	274.261	0.641	20	30		CCEDRM
Cc1c(Cl)cnc(NCCc2nc(=N)[n-]o2)c1C#N	ZINC000343512287	137139943	/nfs/dbraw/zinc/13/99/43/137139943.db2.gz	OMTKOXPBKPBCLV-UHFFFAOYSA-N	-1	0	278.703	0.787	20	30		CCEDRM
CC[C@H](NS(=O)(=O)Cc1ccc(C#N)cc1)C(=O)[O-]	ZINC000035098314	348155711	/nfs/dbraw/zinc/15/57/11/348155711.db2.gz	YYBMYPKJNMRCQN-NSHDSACASA-N	-1	0	282.321	0.841	20	30		CCEDRM
C=CCN(CC=C)S(=O)(=O)c1n[nH]cc1C(=O)[O-]	ZINC000037731780	348200069	/nfs/dbraw/zinc/20/00/69/348200069.db2.gz	UFOOZUYEBMTOMN-UHFFFAOYSA-N	-1	0	271.298	0.471	20	30		CCEDRM
Cn1cc(C#N)c(=NC(=O)NCCO[C@@H]2CC2(F)F)[n-]1	ZINC000602884406	362862553	/nfs/dbraw/zinc/86/25/53/362862553.db2.gz	BNUOCVYDPGOKCM-MRVPVSSYSA-N	-1	0	285.254	0.259	20	30		CCEDRM
COCCCCN(C)C(=O)N=c1[n-]n(C)cc1C#N	ZINC000602885604	362864671	/nfs/dbraw/zinc/86/46/71/362864671.db2.gz	GQEXRYBIHJLNLU-UHFFFAOYSA-N	-1	0	265.317	0.604	20	30		CCEDRM
CN(CC1=CCSC1)C(=O)N=c1[n-]n(C)cc1C#N	ZINC000602885491	362865003	/nfs/dbraw/zinc/86/50/03/362865003.db2.gz	FMZUOCUCXUUXNH-UHFFFAOYSA-N	-1	0	277.353	0.851	20	30		CCEDRM
Cn1cc(C#N)c(=NC(=O)N2CC[C@H]3COC[C@@H]3C2)[n-]1	ZINC000602885525	362865100	/nfs/dbraw/zinc/86/51/00/362865100.db2.gz	FVRXXUWVCRJJLP-ONGXEEELSA-N	-1	0	275.312	0.214	20	30		CCEDRM
CN(Cc1cccc(C#N)c1)C(=O)c1n[nH]c(=O)[n-]1	ZINC000048733840	348424158	/nfs/dbraw/zinc/42/41/58/348424158.db2.gz	BDEXNFBRNXBGMT-UHFFFAOYSA-N	-1	0	257.253	0.654	20	30		CCEDRM
C=CCC1(NC(=O)CSc2n[nH]c(=O)[n-]2)CCOCC1	ZINC000618249081	365958599	/nfs/dbraw/zinc/95/85/99/365958599.db2.gz	FWTWHNXAPZKZMB-UHFFFAOYSA-N	-1	0	298.368	0.844	20	30		CCEDRM
N#Cc1cccc(C(=O)[N-]S(=O)(=O)[C@@H]2CCCOC2)c1	ZINC000408406908	137882097	/nfs/dbraw/zinc/88/20/97/137882097.db2.gz	VKACSMFCQOLNFV-GFCCVEGCSA-N	-1	0	294.332	0.797	20	30		CCEDRM
COC[C@H](NC(=O)Nc1ccc(C#N)cc1)C(=O)[O-]	ZINC000159153301	350670635	/nfs/dbraw/zinc/67/06/35/350670635.db2.gz	PVXQHDRGWRQBDY-JTQLQIEISA-N	-1	0	263.253	0.779	20	30		CCEDRM
C=CC[C@H](C)NS(=O)(=O)c1c[nH]c(C(=O)[O-])c1	ZINC000162556198	350745675	/nfs/dbraw/zinc/74/56/75/350745675.db2.gz	HMXRWGCPUTZVEX-ZETCQYMHSA-N	-1	0	258.299	0.956	20	30		CCEDRM
N#CC1CN(C(=O)N=c2[n-]nc([C@H]3CCCO3)s2)C1	ZINC000603163910	362979325	/nfs/dbraw/zinc/97/93/25/362979325.db2.gz	JNQPCUYFRWIASI-MRVPVSSYSA-N	-1	0	279.325	0.799	20	30		CCEDRM
COc1ccc(CNC(=O)N=c2[n-]n(C)cc2C#N)nc1	ZINC000618378589	366007943	/nfs/dbraw/zinc/00/79/43/366007943.db2.gz	PXFZQTPTNIUSFT-UHFFFAOYSA-N	-1	0	286.295	0.439	20	30		CCEDRM
CO[C@H](CNC(=O)[C@H](C)Oc1ccccc1C#N)C(=O)[O-]	ZINC000227261701	352041357	/nfs/dbraw/zinc/04/13/57/352041357.db2.gz	VTHMSMSDCCRQIC-JOYOIKCWSA-N	-1	0	292.291	0.541	20	30		CCEDRM
C[C@@H](C(=O)[O-])[C@H](C)NS(=O)(=O)c1ccc(C#N)nc1	ZINC000228698925	352080860	/nfs/dbraw/zinc/08/08/60/352080860.db2.gz	BBFBSUHUUCOYBJ-SFYZADRCSA-N	-1	0	283.309	0.341	20	30		CCEDRM
N#Cc1ncccc1S(=O)(=O)NCCCCCC(=O)[O-]	ZINC000236427934	352195211	/nfs/dbraw/zinc/19/52/11/352195211.db2.gz	NKXLIJSNIHATFD-UHFFFAOYSA-N	-1	0	297.336	0.877	20	30		CCEDRM
CC[C@H](O)C[N-]S(=O)(=O)c1c(F)cc(C#N)cc1F	ZINC000292131288	198174662	/nfs/dbraw/zinc/17/46/62/198174662.db2.gz	XWRSPDHOXVZJKM-QMMMGPOBSA-N	-1	0	290.291	0.886	20	30		CCEDRM
C#CC(C)(C)NC(=O)c1cc(S(=O)(=O)NC)oc1C	ZINC000267554606	352774082	/nfs/dbraw/zinc/77/40/82/352774082.db2.gz	DYHUVECLDVBCEA-UHFFFAOYSA-N	-1	0	284.337	0.638	20	30		CCEDRM
C=CCN(CC(F)(F)F)C(=O)CSc1n[nH]c(=O)[n-]1	ZINC000274992804	353178269	/nfs/dbraw/zinc/17/82/69/353178269.db2.gz	MXYUBLFCLXTTNX-UHFFFAOYSA-N	-1	0	296.274	0.767	20	30		CCEDRM
CC#CCNC(=O)c1cc(F)ccc1[N-]S(C)(=O)=O	ZINC000154462392	188143838	/nfs/dbraw/zinc/14/38/38/188143838.db2.gz	WCTUUJDVTAWIHC-UHFFFAOYSA-N	-1	0	284.312	0.950	20	30		CCEDRM
C#CCCCCNC(=O)Cc1c(C)nc2cc[n-]n2c1=O	ZINC000156460796	188263601	/nfs/dbraw/zinc/26/36/01/188263601.db2.gz	YHNJREHKDYNAGV-UHFFFAOYSA-N	-1	0	286.335	0.793	20	30		CCEDRM
COC(=O)[C@H]1CC[C@@H]1C(=O)Nc1nc(C#N)c(C#N)[n-]1	ZINC000287746891	353664788	/nfs/dbraw/zinc/66/47/88/353664788.db2.gz	WUUBWPICMBKVDO-BQBZGAKWSA-N	-1	0	273.252	0.291	20	30		CCEDRM
CCOC[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)[O-]	ZINC000290713784	353744643	/nfs/dbraw/zinc/74/46/43/353744643.db2.gz	UGTKKBGYQAKELG-NSHDSACASA-N	-1	0	298.320	0.326	20	30		CCEDRM
Cc1c(S(=O)(=O)[N-]c2ccc(C#N)cn2)cnn1C	ZINC000336812860	355187015	/nfs/dbraw/zinc/18/70/15/355187015.db2.gz	BDGBWUWABYJDDC-UHFFFAOYSA-N	-1	0	277.309	0.218	20	30		CCEDRM
C[C@H](C(=O)NCc1n[n-]c(=N)o1)c1cccc(C#N)c1	ZINC000360667093	138005167	/nfs/dbraw/zinc/00/51/67/138005167.db2.gz	ULRAUKACDLGAQH-QMMMGPOBSA-N	-1	0	271.280	0.774	20	30		CCEDRM
Cn1cc(C#N)c(=NC(=O)c2ncn(C(C)(C)C)n2)[n-]1	ZINC000361918981	138038077	/nfs/dbraw/zinc/03/80/77/138038077.db2.gz	DGHJUDMEXMXECE-UHFFFAOYSA-N	-1	0	273.300	0.312	20	30		CCEDRM
C=CCCN(C)C(=O)N=c1ccc(C(=O)OC)n[n-]1	ZINC000619632465	366305787	/nfs/dbraw/zinc/30/57/87/366305787.db2.gz	JMFKZVNKQSVAAD-UHFFFAOYSA-N	-1	0	264.285	0.725	20	30		CCEDRM
C=C(C)[C@H]1OCC[C@H]1C(=O)N=c1ccc(C(=O)OC)n[n-]1	ZINC000619606149	366297424	/nfs/dbraw/zinc/29/74/24/366297424.db2.gz	WLRQUCNLKYGSHT-BXKDBHETSA-N	-1	0	291.307	0.605	20	30		CCEDRM
C=C[C@H](C)NC(=O)N=c1ccc(C(=O)OC)n[n-]1	ZINC000619632978	366306346	/nfs/dbraw/zinc/30/63/46/366306346.db2.gz	XPUVCFCUAMNVOS-ZETCQYMHSA-N	-1	0	250.258	0.381	20	30		CCEDRM
C[C@@H](C#N)CNC(=O)c1ccccc1[N-]S(C)(=O)=O	ZINC000609491906	363498702	/nfs/dbraw/zinc/49/87/02/363498702.db2.gz	FGHDBFUULSFLGM-VIFPVBQESA-N	-1	0	281.337	0.948	20	30		CCEDRM
C[C@H](NC(=O)c1cnc([O-])n(C)c1=O)c1ccc(C#N)cc1	ZINC000434881847	235663656	/nfs/dbraw/zinc/66/36/56/235663656.db2.gz	XXQAXAAYPFWOKH-VIFPVBQESA-N	-1	0	298.302	0.849	20	30		CCEDRM
Cn1ccnc1-c1cc(=NC(=O)c2cnn(C)c2C#N)[nH][n-]1	ZINC000359734485	356881207	/nfs/dbraw/zinc/88/12/07/356881207.db2.gz	IXSLSENXYGXZEL-UHFFFAOYSA-N	-1	0	296.294	0.090	20	30		CCEDRM
COCCN(CCC#N)C(=O)N=c1[n-]nc(C)s1	ZINC000610540807	363573636	/nfs/dbraw/zinc/57/36/36/363573636.db2.gz	PZBTWVKUUIFUKM-UHFFFAOYSA-N	-1	0	269.330	0.662	20	30		CCEDRM
Cc1cccc(CNC(=O)N=c2[n-]n(C)cc2C#N)n1	ZINC000610560311	363574783	/nfs/dbraw/zinc/57/47/83/363574783.db2.gz	AKYOZYIMEUHGIA-UHFFFAOYSA-N	-1	0	270.296	0.739	20	30		CCEDRM
CCOC[C@@H]1CCCN(C(=O)N=c2[n-]n(C)cc2C#N)C1	ZINC000610560727	363575066	/nfs/dbraw/zinc/57/50/66/363575066.db2.gz	IQQDHPHQMAOYKS-LLVKDONJSA-N	-1	0	291.355	0.994	20	30		CCEDRM
Cn1cc(C#N)c(=NC(=O)N[C@@H]2[C@@H]3CCO[C@H]3C2(C)C)[n-]1	ZINC000610562233	363575834	/nfs/dbraw/zinc/57/58/34/363575834.db2.gz	LKGYSCGDDGEDKL-HBNTYKKESA-N	-1	0	289.339	0.649	20	30		CCEDRM
CC(C)CCOCCNC(=O)N=c1[n-]n(C)cc1C#N	ZINC000610565124	363579148	/nfs/dbraw/zinc/57/91/48/363579148.db2.gz	PPEVJVRWODGKTJ-UHFFFAOYSA-N	-1	0	279.344	0.898	20	30		CCEDRM
Cn1cc(C#N)c(=NC(=O)NCc2nccs2)[n-]1	ZINC000610564404	363579801	/nfs/dbraw/zinc/57/98/01/363579801.db2.gz	QJDOOVYDLORUEU-UHFFFAOYSA-N	-1	0	262.298	0.492	20	30		CCEDRM
Cn1cc(C#N)c(=NC(=O)C2C[C@H]3CC[C@@H](C2)C3=O)[n-]1	ZINC000432737368	358231724	/nfs/dbraw/zinc/23/17/24/358231724.db2.gz	KCHHWFCLWIEMKC-ULKQDVFKSA-N	-1	0	272.308	0.657	20	30		CCEDRM
C=CCOC[C@@H](NC(=O)c1ccc([N+](=O)[O-])cn1)C(=O)[O-]	ZINC000516723933	358340404	/nfs/dbraw/zinc/34/04/04/358340404.db2.gz	KALKXOMFAYNZSE-SNVBAGLBSA-N	-1	0	295.251	0.375	20	30		CCEDRM
CCC[C@@H](C#N)NC(=O)Cc1n[n-]c(=NC)s1	ZINC000544735730	358549861	/nfs/dbraw/zinc/54/98/61/358549861.db2.gz	ASCOMXKICUQKNJ-ZETCQYMHSA-N	-1	0	253.331	0.353	20	30		CCEDRM
C=CCN(C(=O)C(=O)NCCCC(=O)[O-])C1CC1	ZINC000563141589	358556713	/nfs/dbraw/zinc/55/67/13/358556713.db2.gz	FFTSBSNPRMEBRB-UHFFFAOYSA-N	-1	0	254.286	0.144	20	30		CCEDRM
COC1(CNC(=O)N=c2[n-]n(C)cc2C#N)CCOCC1	ZINC000610964605	363638397	/nfs/dbraw/zinc/63/83/97/363638397.db2.gz	GRWXXDHDQWEJSG-UHFFFAOYSA-N	-1	0	293.327	0.031	20	30		CCEDRM
CCc1cnc(CNC(=O)N=c2[n-]n(C)cc2C#N)o1	ZINC000588259076	359319972	/nfs/dbraw/zinc/31/99/72/359319972.db2.gz	WTAJGFVUOHOGAF-UHFFFAOYSA-N	-1	0	274.284	0.586	20	30		CCEDRM
C[C@@H](C(=O)[O-])N(C)S(=O)(=O)c1cccc(CC#N)c1	ZINC000588316686	359321959	/nfs/dbraw/zinc/32/19/59/359321959.db2.gz	GNCWGUHFFZPICL-VIFPVBQESA-N	-1	0	282.321	0.846	20	30		CCEDRM
N#Cc1ccc(S(=O)(=O)[N-]c2cnn(CCO)c2)o1	ZINC000588842928	359341226	/nfs/dbraw/zinc/34/12/26/359341226.db2.gz	PJIQLCZYMHPKEU-UHFFFAOYSA-N	-1	0	282.281	0.141	20	30		CCEDRM
N#Cc1cscc1C(=O)N=c1cc(C(N)=O)[n-][nH]1	ZINC000590306740	359436935	/nfs/dbraw/zinc/43/69/35/359436935.db2.gz	CVGUFUFBWHDHNS-UHFFFAOYSA-N	-1	0	261.266	0.116	20	30		CCEDRM
CN(C[C@H]1CCC[C@@H]1O)C(=O)N=c1[n-]n(C)cc1C#N	ZINC000611112031	363661170	/nfs/dbraw/zinc/66/11/70/363661170.db2.gz	RZYHEUXVTUEEDE-KOLCDFICSA-N	-1	0	277.328	0.338	20	30		CCEDRM
N#CCc1cccc(S(=O)(=O)N2CC[C@H]2C(=O)[O-])c1	ZINC000589682716	359396500	/nfs/dbraw/zinc/39/65/00/359396500.db2.gz	JSBPIMZBEIEKMO-NSHDSACASA-N	-1	0	280.305	0.600	20	30		CCEDRM
Cn1cc(C#N)c(=NC(=O)N[C@@H]2CCOC2(C)C)[n-]1	ZINC000590819434	359526690	/nfs/dbraw/zinc/52/66/90/359526690.db2.gz	JYNUJAHFJJDSPZ-SECBINFHSA-N	-1	0	263.301	0.403	20	30		CCEDRM
N#Cc1cnc([N-]S(=O)(=O)CCOCC2CC2)s1	ZINC000591649345	359629248	/nfs/dbraw/zinc/62/92/48/359629248.db2.gz	PUULSEGGOYWKSZ-UHFFFAOYSA-N	-1	0	287.366	0.605	20	30		CCEDRM
COC(=O)c1ccc(=NC(=O)N[C@@H]2CC[C@H](C#N)C2)[n-]n1	ZINC000591867913	359668320	/nfs/dbraw/zinc/66/83/20/359668320.db2.gz	AJYNCHJJUBSFNU-DTWKUNHWSA-N	-1	0	289.295	0.499	20	30		CCEDRM
C[C@@H](Oc1ccc(C#N)cc1)C(=O)N=c1cc(C(N)=O)[n-][nH]1	ZINC000611141707	363664382	/nfs/dbraw/zinc/66/43/82/363664382.db2.gz	UXTLXCBQWHCMNP-MRVPVSSYSA-N	-1	0	299.290	0.208	20	30		CCEDRM
CO[C@H](CS(=O)(=O)[N-]c1nn(C)cc1C#N)C(C)C	ZINC000592352257	359823345	/nfs/dbraw/zinc/82/33/45/359823345.db2.gz	XTDFKHBNPGPXML-SNVBAGLBSA-N	-1	0	286.357	0.704	20	30		CCEDRM
C[C@H](NS(=O)(=O)Cc1ccc(CC#N)cc1)C(=O)[O-]	ZINC000592454736	359844350	/nfs/dbraw/zinc/84/43/50/359844350.db2.gz	KNVWACIAPBVAPW-VIFPVBQESA-N	-1	0	282.321	0.645	20	30		CCEDRM
Cc1c(C#N)c(=NC(=O)[C@@H]2CCCc3nn(C)cc32)[n-]n1C	ZINC000592650117	359909213	/nfs/dbraw/zinc/90/92/13/359909213.db2.gz	NUYBHYJZMRYCDV-SNVBAGLBSA-N	-1	0	298.350	0.814	20	30		CCEDRM
C[C@@H]1C[C@@H](NC(=O)N=c2[n-]n(C)cc2C#N)C[C@H](C)O1	ZINC000611245805	363696963	/nfs/dbraw/zinc/69/69/63/363696963.db2.gz	VSWFAWONPLNEDQ-DOFRTFSJSA-N	-1	0	277.328	0.791	20	30		CCEDRM
CCC(=O)N1CC[C@H](C(=O)N=c2[n-]n(C)c(C)c2C#N)C1	ZINC000592654662	359910306	/nfs/dbraw/zinc/91/03/06/359910306.db2.gz	SKCCKJQIKBRIIR-JTQLQIEISA-N	-1	0	289.339	0.219	20	30		CCEDRM
CCNc1nc(C(=O)N2CC[C@](O)(CC#N)C2)cs1	ZINC000592949547	359992948	/nfs/dbraw/zinc/99/29/48/359992948.db2.gz	IYGHDPAUHODTGQ-GFCCVEGCSA-N	-1	0	280.353	0.487	20	30		CCEDRM
CC[C@@H](C#N)C(=O)Nc1ccc(-n2nn[n-]c2=O)cc1	ZINC000593645886	360126247	/nfs/dbraw/zinc/12/62/47/360126247.db2.gz	LZYRDWVDIFUMJU-QMMMGPOBSA-N	-1	0	272.268	0.856	20	30		CCEDRM
CC[C@H](C#N)C(=O)Nc1ccc(-n2nn[n-]c2=O)cc1	ZINC000593645885	360126414	/nfs/dbraw/zinc/12/64/14/360126414.db2.gz	LZYRDWVDIFUMJU-MRVPVSSYSA-N	-1	0	272.268	0.856	20	30		CCEDRM
Cc1cc2c(cc1C#N)[nH]nc2NC(=O)C1(C(=O)[O-])CC1	ZINC000593923735	360218029	/nfs/dbraw/zinc/21/80/29/360218029.db2.gz	SGTWWAABQSXXOF-UHFFFAOYSA-N	-1	0	284.275	0.968	20	30		CCEDRM
CO[C@H]1CCC[C@H]1CNC(=O)N=c1[n-]n(C)cc1C#N	ZINC000611388939	363712782	/nfs/dbraw/zinc/71/27/82/363712782.db2.gz	XLGMKEKFAGTYKD-ONGXEEELSA-N	-1	0	277.328	0.650	20	30		CCEDRM
CC(C)[C@@H](CNC(=O)C(=O)NCC1(CC#N)CC1)C(=O)[O-]	ZINC000594531257	360326881	/nfs/dbraw/zinc/32/68/81/360326881.db2.gz	YTSZZULXWSINTN-SNVBAGLBSA-N	-1	0	295.339	0.269	20	30		CCEDRM
C[C@@H]1CCN(C(=O)N=c2[n-]n(C)cc2C#N)C[C@@H]1F	ZINC000611503770	363728243	/nfs/dbraw/zinc/72/82/43/363728243.db2.gz	IVEMQVADRAXALH-SCZZXKLOSA-N	-1	0	265.292	0.925	20	30		CCEDRM
C[C@@H](C(=O)[O-])C(=O)N1CCN(c2ccsc2C#N)CC1	ZINC000594749494	360376222	/nfs/dbraw/zinc/37/62/22/360376222.db2.gz	RIJUNBUECHQXOC-SECBINFHSA-N	-1	0	293.348	0.989	20	30		CCEDRM
N#CCC1(CNC(=O)N2C[C@@H]3COC[C@]3(C(=O)[O-])C2)CC1	ZINC000595261928	360464533	/nfs/dbraw/zinc/46/45/33/360464533.db2.gz	BBNXBJCKWAMYRA-QMTHXVAHSA-N	-1	0	293.323	0.423	20	30		CCEDRM
CC(C)[C@@](C)(C#N)NC(=O)[C@H](C)N(C)Cc1n[n-]c(=O)o1	ZINC000595547780	360575758	/nfs/dbraw/zinc/57/57/58/360575758.db2.gz	RWRDXGJGDHANMA-TVQRCGJNSA-N	-1	0	295.343	0.650	20	30		CCEDRM
N#Cc1ncccc1O[C@H]1CCN(CC(=O)[O-])C1=O	ZINC000596015004	360776258	/nfs/dbraw/zinc/77/62/58/360776258.db2.gz	YJLWRDUSVDFXSS-JTQLQIEISA-N	-1	0	261.237	0.018	20	30		CCEDRM
N#Cc1ccc(S(=O)(=O)NC[C@H](C(=O)[O-])C2CCC2)o1	ZINC000596025322	360777396	/nfs/dbraw/zinc/77/73/96/360777396.db2.gz	UKUTZXSOIYHFDZ-JTQLQIEISA-N	-1	0	298.320	0.930	20	30		CCEDRM
C[C@]1(C#N)CCN(C(=O)N=c2nc3ccccn3[n-]2)C1	ZINC000596825527	360962256	/nfs/dbraw/zinc/96/22/56/360962256.db2.gz	SLLIZZVEVKZSSQ-CYBMUJFWSA-N	-1	0	270.296	0.919	20	30		CCEDRM
N#Cc1c(C2CC2)[n-][nH]c1=NC(=O)[C@H]1CCNC(=O)C1	ZINC000563762065	291250330	/nfs/dbraw/zinc/25/03/30/291250330.db2.gz	KKRGVAWSKQAQQO-QMMMGPOBSA-N	-1	0	273.296	0.045	20	30		CCEDRM
Cc1cc(C#N)cnc1C(=O)N=c1[n-]nc(C2CC2)n1C	ZINC000597898635	361279244	/nfs/dbraw/zinc/27/92/44/361279244.db2.gz	KYIGTRAFZLSELO-UHFFFAOYSA-N	-1	0	282.307	0.942	20	30		CCEDRM
CO[C@H]1CC[C@@H](C(=O)N=c2[n-]n(C)c(C)c2C#N)C1	ZINC000598843108	361524954	/nfs/dbraw/zinc/52/49/54/361524954.db2.gz	JRINWKXIIYMCDH-ZJUUUORDSA-N	-1	0	262.313	0.776	20	30		CCEDRM
CC[C@](C)(C#N)NC(=O)c1ccc([N-]S(C)(=O)=O)nc1	ZINC000599233214	361616615	/nfs/dbraw/zinc/61/66/15/361616615.db2.gz	OMYCLVITVJNONK-GFCCVEGCSA-N	-1	0	296.352	0.875	20	30		CCEDRM
N#Cc1c2c(cnc1NCCc1nc(=N)[n-]o1)CCC2	ZINC000564652479	291290713	/nfs/dbraw/zinc/29/07/13/291290713.db2.gz	YIMHSFDTOVSEQC-UHFFFAOYSA-N	-1	0	270.296	0.314	20	30		CCEDRM
CC[C@@H](NC(=O)C(=O)Nc1cccc(C#N)c1C)C(=O)[O-]	ZINC000564826665	291303230	/nfs/dbraw/zinc/30/32/30/291303230.db2.gz	ZKHGEQNVJUVFHY-SNVBAGLBSA-N	-1	0	289.291	0.785	20	30		CCEDRM
CN(CCC#N)S(=O)(=O)NCC(C)(C)CC(=O)[O-]	ZINC000614352578	364581211	/nfs/dbraw/zinc/58/12/11/364581211.db2.gz	NZAOFBOUGOVHLD-UHFFFAOYSA-N	-1	0	277.346	0.167	20	30		CCEDRM
Cn1cc(C#N)c(=NC(=O)N[C@@H]2CCn3ccnc3C2)[n-]1	ZINC000614688649	364698232	/nfs/dbraw/zinc/69/82/32/364698232.db2.gz	YAVBNAQXVTUIBI-SNVBAGLBSA-N	-1	0	285.311	0.047	20	30		CCEDRM
N#C[C@@]1(F)CCN(C(=O)N=c2nc3ccccn3[n-]2)C1	ZINC000615541493	364998806	/nfs/dbraw/zinc/99/88/06/364998806.db2.gz	UWYCDTLNUMMJNT-LBPRGKRZSA-N	-1	0	274.259	0.621	20	30		CCEDRM
N#C[C@@]1(F)CCN(Cc2cc(=O)n3[n-]ccc3n2)C1	ZINC000615637900	365031773	/nfs/dbraw/zinc/03/17/73/365031773.db2.gz	JRZOCHGTCPHGER-LBPRGKRZSA-N	-1	0	261.260	0.460	20	30		CCEDRM
C=C[C@](C)(O)C(=O)N=c1nc([C@H](C)OC)[n-]s1	ZINC000622019356	366984766	/nfs/dbraw/zinc/98/47/66/366984766.db2.gz	UWBFBRQEVGTFKX-WKEGUHRASA-N	-1	0	257.315	0.543	20	30		CCEDRM
C=CCCCS(=O)(=O)N[C@@H](CCF)C(=O)[O-]	ZINC000656164262	412756487	/nfs/dbraw/zinc/75/64/87/412756487.db2.gz	KEZCVJCTRKEAIS-QMMMGPOBSA-N	-1	0	253.295	0.685	20	30		CCEDRM
C=CC(C)(C)CCNC(=O)C(=O)NC[C@H](C)C(=O)[O-]	ZINC000627279268	368942289	/nfs/dbraw/zinc/94/22/89/368942289.db2.gz	JUOFCNVENNLYII-VIFPVBQESA-N	-1	0	270.329	0.542	20	30		CCEDRM
C=C(C)[C@@H]1OCC[C@H]1CNS(=O)(=O)c1ncc[n-]1	ZINC000632301450	370972371	/nfs/dbraw/zinc/97/23/71/370972371.db2.gz	ZURFNMXNCVYWOM-UWVGGRQHSA-N	-1	0	271.342	0.669	20	30		CCEDRM
C=C[C@@](C)(O)C(=O)N=c1nc(C2CCOCC2)[n-]s1	ZINC000629104049	369521775	/nfs/dbraw/zinc/52/17/75/369521775.db2.gz	AZQZDKCRSDINDL-GFCCVEGCSA-N	-1	0	283.353	0.730	20	30		CCEDRM
C=CC[C@@H]1CCN(S(=O)(=O)c2cnn(CC(=O)[O-])c2)C1	ZINC000629334470	369633577	/nfs/dbraw/zinc/63/35/77/369633577.db2.gz	REQGCPIITBPVBI-SNVBAGLBSA-N	-1	0	299.352	0.554	20	30		CCEDRM
C=CCOC[C@H](NC(=O)[C@H](OCC)C1CC1)C(=O)[O-]	ZINC000630186004	369996139	/nfs/dbraw/zinc/99/61/39/369996139.db2.gz	JRARDMOHMMGFRL-WDEREUQCSA-N	-1	0	271.313	0.574	20	30		CCEDRM
C=CCn1cc(C(=O)N2C3CCC2(C(=O)[O-])CC3)nn1	ZINC000630321087	370046937	/nfs/dbraw/zinc/04/69/37/370046937.db2.gz	DJDNJXQZVVXSGT-UHFFFAOYSA-N	-1	0	276.296	0.686	20	30		CCEDRM
C=CCCOCC(=O)N[C@@H](C[C@H]1CCCOC1)C(=O)[O-]	ZINC000630275415	370032092	/nfs/dbraw/zinc/03/20/92/370032092.db2.gz	VLUFFSVMSAHDTD-NEPJUHHUSA-N	-1	0	285.340	0.965	20	30		CCEDRM
C=C(C)C[C@H](NC(=O)[C@@H](C)NC(=O)c1ccoc1)C(=O)[O-]	ZINC000630327063	370048167	/nfs/dbraw/zinc/04/81/67/370048167.db2.gz	VSFRBBGKVVCVGU-KOLCDFICSA-N	-1	0	294.307	0.934	20	30		CCEDRM
C=CCOC[C@@H](NC(=O)c1cc(C2CC2)n(C)n1)C(=O)[O-]	ZINC000630185668	369995204	/nfs/dbraw/zinc/99/52/04/369995204.db2.gz	FJXGIWUVQIUJLA-LLVKDONJSA-N	-1	0	293.323	0.683	20	30		CCEDRM
C=C(C)[C@@H]1OCC[C@H]1CNC(=O)CCc1nnn[n-]1	ZINC000632840598	371295423	/nfs/dbraw/zinc/29/54/23/371295423.db2.gz	HJBSDODETYWTAM-CABZTGNLSA-N	-1	0	265.317	0.230	20	30		CCEDRM
C=C[C@@H]1OCC[C@H]1NC(=O)[C@H]1CCC[C@H]1C(=O)[O-]	ZINC000634840635	372267462	/nfs/dbraw/zinc/26/74/62/372267462.db2.gz	QNARPAWHFRWORD-ZDCRXTMVSA-N	-1	0	253.298	0.947	20	30		CCEDRM
C=C[C@@H]1OCC[C@H]1NC(=O)N1CC[C@@](COC)(C(=O)[O-])C1	ZINC000635517152	372579492	/nfs/dbraw/zinc/57/94/92/372579492.db2.gz	XHYGUNDLXQSMLI-UHIISALHSA-N	-1	0	298.339	0.463	20	30		CCEDRM
C=CC[C@H]1CCN(C(=O)NCCOCC(=O)[O-])C1	ZINC000635523720	372587281	/nfs/dbraw/zinc/58/72/81/372587281.db2.gz	QWFKPGGIOAPEOT-JTQLQIEISA-N	-1	0	256.302	0.695	20	30		CCEDRM
C=CCOCCCNC(=O)C[C@]1(C(=O)[O-])CCOC1	ZINC000656486670	412813146	/nfs/dbraw/zinc/81/31/46/412813146.db2.gz	PRHYCWPTLBRRSZ-CYBMUJFWSA-N	-1	0	271.313	0.577	20	30		CCEDRM
C=CCN(CC(=O)[O-])S(=O)(=O)N1CCC(CC)CC1	ZINC000656514324	412815964	/nfs/dbraw/zinc/81/59/64/412815964.db2.gz	AUYLJVSJKVEUIY-UHFFFAOYSA-N	-1	0	290.385	0.926	20	30		CCEDRM
C=CCCCS(=O)(=O)N1C[C@@H]2COC[C@]2(C(=O)[O-])C1	ZINC000656564424	412828476	/nfs/dbraw/zinc/82/84/76/412828476.db2.gz	MXJCFNQKNKIDEO-ZYHUDNBSSA-N	-1	0	289.353	0.315	20	30		CCEDRM
C=CCCNC(=O)N[C@@H](C(=O)[O-])C1CCOCC1	ZINC000656588318	412831353	/nfs/dbraw/zinc/83/13/53/412831353.db2.gz	JQQKBQKTPAFBPQ-SNVBAGLBSA-N	-1	0	256.302	0.742	20	30		CCEDRM
C=CCOCCCNC(=O)N[C@H](CC(F)F)C(=O)[O-]	ZINC000656594875	412833511	/nfs/dbraw/zinc/83/35/11/412833511.db2.gz	AMQUJVKETKTXKF-MRVPVSSYSA-N	-1	0	280.271	0.987	20	30		CCEDRM
C=CC[C@H](C)NC(=O)N=c1ccc(C(=O)NC)n[n-]1	ZINC000640322760	376315337	/nfs/dbraw/zinc/31/53/37/376315337.db2.gz	BDWBIAQAQJQWNI-QMMMGPOBSA-N	-1	0	263.301	0.344	20	30		CCEDRM
C[C@H](CNS(=O)(=O)c1ccc(C#N)o1)C(=O)[O-]	ZINC000514881924	249110737	/nfs/dbraw/zinc/11/07/37/249110737.db2.gz	UYSLMYPZZPMRMY-ZCFIWIBFSA-N	-1	0	258.255	0.150	20	30		CCEDRM
Cc1nnc([C@H](C)[N-]S(=O)(=O)c2cccnc2C#N)o1	ZINC000515546594	249138694	/nfs/dbraw/zinc/13/86/94/249138694.db2.gz	YTZZISJDTMHTFK-ZETCQYMHSA-N	-1	0	293.308	0.684	20	30		CCEDRM
N#Cc1ccncc1N1CCN(Cc2n[nH]c(=O)[n-]2)CC1	ZINC000516903559	249187707	/nfs/dbraw/zinc/18/77/07/249187707.db2.gz	ZLQQEEVYGMBHIK-UHFFFAOYSA-N	-1	0	285.311	0.099	20	30		CCEDRM
CC#CC[C@@H](CO)NS(=O)(=O)c1ccccc1[O-]	ZINC000657021150	412874671	/nfs/dbraw/zinc/87/46/71/412874671.db2.gz	OGFQROQGLPNWGS-JTQLQIEISA-N	-1	0	269.322	0.445	20	30		CCEDRM
C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)[C@H](C)C(=O)[O-]	ZINC000133233059	284831809	/nfs/dbraw/zinc/83/18/09/284831809.db2.gz	MUVGFWBGFKKJQN-IUCAKERBSA-N	-1	0	282.321	0.946	20	30		CCEDRM
C#CCO[N-]C(=O)[C@@H](CCSC)NC(=O)CC	ZINC000291132915	388917081	/nfs/dbraw/zinc/91/70/81/388917081.db2.gz	WOEIBZHQEPLKDZ-SECBINFHSA-N	-1	0	258.343	0.315	20	30		CCEDRM
C=CCN(CC(=O)[O-])S(=O)(=O)c1cn(CC)c(C)n1	ZINC000092463869	389028342	/nfs/dbraw/zinc/02/83/42/389028342.db2.gz	MQBPWMOKOGRPJK-UHFFFAOYSA-N	-1	0	287.341	0.473	20	30		CCEDRM
C#CCCCC(=O)Nc1nnc([N-]S(C)(=O)=O)s1	ZINC000191959405	389020850	/nfs/dbraw/zinc/02/08/50/389020850.db2.gz	MFTDKZDXUINYMK-UHFFFAOYSA-N	-1	0	288.354	0.652	20	30		CCEDRM
Cn1cc(C#N)c(=NC(=O)c2ccc3nsnc3c2)[n-]1	ZINC000355617031	389102303	/nfs/dbraw/zinc/10/23/03/389102303.db2.gz	GXWASYXOLOSGNF-UHFFFAOYSA-N	-1	0	284.304	0.971	20	30		CCEDRM
C=CC[C@H](CC)N=c1ccc(C(=O)NCCO)n[n-]1	ZINC000357705259	389137524	/nfs/dbraw/zinc/13/75/24/389137524.db2.gz	NNYNLCNFUSJIIX-JTQLQIEISA-N	-1	0	264.329	0.387	20	30		CCEDRM
Cn1cc(N=C([O-])[C@H]2CCCSC2)c(=O)n(C)c1=O	ZINC000329638502	389180729	/nfs/dbraw/zinc/18/07/29/389180729.db2.gz	ARUNOYFJVBCKBJ-QMMMGPOBSA-N	-1	0	283.353	0.815	20	30		CCEDRM
C=CC[C@@H](CC)NC(=O)C(=O)N=c1ccc(OC)n[n-]1	ZINC000342236379	389202451	/nfs/dbraw/zinc/20/24/51/389202451.db2.gz	QCWTUECFRROGBH-SECBINFHSA-N	-1	0	278.312	0.317	20	30		CCEDRM
N#C[C@]1(NC(=O)c2nn(-c3ccccc3)cc2[O-])CCOC1	ZINC000358444516	389150702	/nfs/dbraw/zinc/15/07/02/389150702.db2.gz	MNPDJKGQUFORTP-OAHLLOKOSA-N	-1	0	298.302	0.990	20	30		CCEDRM
C=CCCC(=O)N[C@@H]1CCN([C@@H](C(=O)[O-])C(C)C)C1=O	ZINC000358710523	389158713	/nfs/dbraw/zinc/15/87/13/389158713.db2.gz	HCOQOJMZVHSFJP-ZYHUDNBSSA-N	-1	0	282.340	0.779	20	30		CCEDRM
C=CCN(CC(=O)[O-])S(=O)(=O)c1cn2c(n1)CCCC2	ZINC000364398968	389261557	/nfs/dbraw/zinc/26/15/57/389261557.db2.gz	HJBFTAAJWMTVGT-UHFFFAOYSA-N	-1	0	299.352	0.481	20	30		CCEDRM
C=CCCCN(C)C(=O)Cn1cc(C(=O)[O-])nn1	ZINC000136023131	389263589	/nfs/dbraw/zinc/26/35/89/389263589.db2.gz	AUSJZKVUZCVVFY-UHFFFAOYSA-N	-1	0	252.274	0.401	20	30		CCEDRM
C[C@](O)(CNS(=O)(=O)CC1(C#N)CC1)C(F)(F)F	ZINC000361809356	389224933	/nfs/dbraw/zinc/22/49/33/389224933.db2.gz	MPWUGBXCUAOCEL-ZETCQYMHSA-N	-1	0	286.275	0.523	20	30		CCEDRM
N#Cc1cncc(S(=O)(=O)[N-]C(=O)[C@@H]2CCCOC2)c1	ZINC000408489831	389367805	/nfs/dbraw/zinc/36/78/05/389367805.db2.gz	WJXBYDHHEONWKF-SNVBAGLBSA-N	-1	0	295.320	0.185	20	30		CCEDRM
C[C@@H](CCCNS(=O)(=O)c1ccc(C#N)nc1)C(=O)[O-]	ZINC000159672095	389371484	/nfs/dbraw/zinc/37/14/84/389371484.db2.gz	RYIWOYHCAQGWNB-VIFPVBQESA-N	-1	0	297.336	0.732	20	30		CCEDRM
CC(C)[C@@H](C#N)NC(=O)c1c[nH]c2nc(=O)[n-]c(=O)c-2c1	ZINC000264731186	389350736	/nfs/dbraw/zinc/35/07/36/389350736.db2.gz	HZWMCULOLDRUBO-SECBINFHSA-N	-1	0	287.279	0.714	20	30		CCEDRM
Cc1cc([N-]S(=O)(=O)c2ccc(C#N)nc2)n(C)n1	ZINC000165816798	389440011	/nfs/dbraw/zinc/44/00/11/389440011.db2.gz	DAICQIHWZHPVCA-UHFFFAOYSA-N	-1	0	277.309	0.796	20	30		CCEDRM
C=CCC1(C(=O)NCCCc2n[nH]c(=O)[n-]2)CCOCC1	ZINC000425193888	389641635	/nfs/dbraw/zinc/64/16/35/389641635.db2.gz	MDOFOWJDDWGTTH-UHFFFAOYSA-N	-1	0	294.355	0.932	20	30		CCEDRM
CCOC(=O)Cn1cnc(=NC(=O)NCCCCC#N)[n-]1	ZINC000425725939	389655815	/nfs/dbraw/zinc/65/58/15/389655815.db2.gz	IFHDBZMOZOKYBM-UHFFFAOYSA-N	-1	0	294.315	0.078	20	30		CCEDRM
CC(C)(C)[C@@H](C#N)NC(=O)c1c[n-]n2c1nccc2=O	ZINC000427357714	389681072	/nfs/dbraw/zinc/68/10/72/389681072.db2.gz	DBJLCQZMBDVNOK-SECBINFHSA-N	-1	0	273.296	0.691	20	30		CCEDRM
CN=c1[n-]nc(CC(=O)N(CCC#N)CCC#N)s1	ZINC000352424588	389808994	/nfs/dbraw/zinc/80/89/94/389808994.db2.gz	UENNOOGFKYNQGI-UHFFFAOYSA-N	-1	0	278.341	0.200	20	30		CCEDRM
N#Cc1nc(NCCc2n[n-]c(=N)o2)ccc1Cl	ZINC000436332286	389975082	/nfs/dbraw/zinc/97/50/82/389975082.db2.gz	HPBODCAUKSOJQX-UHFFFAOYSA-N	-1	0	264.676	0.479	20	30		CCEDRM
C=CCSCCNC(=O)C(=O)N(C)CCCC(=O)[O-]	ZINC000420531799	390010280	/nfs/dbraw/zinc/01/02/80/390010280.db2.gz	AGYPXQDNPAODMZ-UHFFFAOYSA-N	-1	0	288.369	0.345	20	30		CCEDRM
CC#CCS(=O)(=O)[N-]C(=O)/C=C\c1scnc1C	ZINC000492969107	390118797	/nfs/dbraw/zinc/11/87/97/390118797.db2.gz	ANEZBEBMKQYPKW-WAYWQWQTSA-N	-1	0	284.362	0.934	20	30		CCEDRM
CC(C)n1cc(C#N)c(=NC(=O)c2ccncn2)[n-]1	ZINC000489724978	390101889	/nfs/dbraw/zinc/10/18/89/390101889.db2.gz	YHBLKFYUQRQYID-UHFFFAOYSA-N	-1	0	256.269	0.800	20	30		CCEDRM
Cc1cc(C(=O)Nc2nc(C#N)c(C#N)[n-]2)ncn1	ZINC000536533130	390163312	/nfs/dbraw/zinc/16/33/12/390163312.db2.gz	HUBIKOHFFDRPLT-UHFFFAOYSA-N	-1	0	253.225	0.504	20	30		CCEDRM
C=C(C)COCCNC(=O)C1(C(=O)[O-])CCOCC1	ZINC000582065304	390257063	/nfs/dbraw/zinc/25/70/63/390257063.db2.gz	HLLBWCMUJIEYMZ-UHFFFAOYSA-N	-1	0	271.313	0.577	20	30		CCEDRM
C[C@H](CCCNS(=O)(=O)N(C)[C@@H](C)CC#N)C(=O)[O-]	ZINC000564732957	390496324	/nfs/dbraw/zinc/49/63/24/390496324.db2.gz	WHHQCFPTONVEJE-ZJUUUORDSA-N	-1	0	291.373	0.556	20	30		CCEDRM
C[C@H](CC#N)N(C)S(=O)(=O)NCC1(C(=O)[O-])CCC1	ZINC000565056528	390499468	/nfs/dbraw/zinc/49/94/68/390499468.db2.gz	QNVYYVJHWMZBRT-SECBINFHSA-N	-1	0	289.357	0.310	20	30		CCEDRM
C=CCn1cc(C(=O)N[C@](C)(COC)CC(=O)[O-])nn1	ZINC000649246496	390536186	/nfs/dbraw/zinc/53/61/86/390536186.db2.gz	IFBVOKCGRSLKAZ-LBPRGKRZSA-N	-1	0	282.300	0.074	20	30		CCEDRM
C=CCCS(=O)(=O)N[C@H](C(=O)[O-])[C@@H]1CCCOC1	ZINC000567691515	390710623	/nfs/dbraw/zinc/71/06/23/390710623.db2.gz	YSRUVVZMJBISNH-ZJUUUORDSA-N	-1	0	277.342	0.362	20	30		CCEDRM
C=CCOC[C@H](NC(=O)NC[C@H](C)COC)C(=O)[O-]	ZINC000569904101	390716881	/nfs/dbraw/zinc/71/68/81/390716881.db2.gz	CYPYZAHUJFQZAM-UWVGGRQHSA-N	-1	0	274.317	0.224	20	30		CCEDRM
C=CCN(C(=O)C(=O)N1CC[C@H](C)[C@H](C(=O)[O-])C1)C1CC1	ZINC000567270686	390685855	/nfs/dbraw/zinc/68/58/55/390685855.db2.gz	KDPVGWBJHJNYQC-CMPLNLGQSA-N	-1	0	294.351	0.733	20	30		CCEDRM
C=C[C@@H](CCC(=O)[O-])NS(=O)(=O)N1CCC(C)CC1	ZINC000567345998	390693955	/nfs/dbraw/zinc/69/39/55/390693955.db2.gz	GECBVGGLMVQOBM-NSHDSACASA-N	-1	0	290.385	0.972	20	30		CCEDRM
CNC(=O)C(C#N)=C([O-])c1cc(C)n(-c2cnccn2)c1C	ZINC000528925954	390783991	/nfs/dbraw/zinc/78/39/91/390783991.db2.gz	XRCPXSZDMZQDJW-GFCCVEGCSA-N	-1	0	297.318	0.953	20	30		CCEDRM
CC1(S(=O)(=O)[N-]C(=O)Cc2ccc(C#N)nc2)CC1	ZINC000529015905	390787631	/nfs/dbraw/zinc/78/76/31/390787631.db2.gz	MVZJGIHBNLDHDJ-UHFFFAOYSA-N	-1	0	279.321	0.494	20	30		CCEDRM
C=CCOC[C@@H](NC(=O)[C@H]1COc2ccccc21)C(=O)[O-]	ZINC000574900802	390822451	/nfs/dbraw/zinc/82/24/51/390822451.db2.gz	OIBZOVMXIQYGTK-NWDGAFQWSA-N	-1	0	291.303	0.935	20	30		CCEDRM
C=CCN(C(=O)C(=O)N1CCC(C)(C(=O)[O-])CC1)C1CC1	ZINC000647505681	390825485	/nfs/dbraw/zinc/82/54/85/390825485.db2.gz	RVCOUNRSDBLPOR-UHFFFAOYSA-N	-1	0	294.351	0.877	20	30		CCEDRM
C=CCCO[C@@H](C)C(=O)N1C[C@@H](C)O[C@@H](C(=O)[O-])C1	ZINC000262184353	131198147	/nfs/dbraw/zinc/19/81/47/131198147.db2.gz	GYBHRTLGJRDEPK-OUAUKWLOSA-N	-1	0	271.313	0.668	20	30		CCEDRM
COc1ccc([N-]S(=O)(=O)c2ccc(C#N)nc2)nn1	ZINC000356499172	144007913	/nfs/dbraw/zinc/00/79/13/144007913.db2.gz	SURQBBPKIOJWAB-UHFFFAOYSA-N	-1	0	291.292	0.553	20	30		CCEDRM
CCOCc1n[n-]c(=NCc2nc(C#N)cs2)o1	ZINC000357713749	144115321	/nfs/dbraw/zinc/11/53/21/144115321.db2.gz	SYZWGLRMUWRNRZ-UHFFFAOYSA-N	-1	0	265.298	0.968	20	30		CCEDRM
C=C(C)COCCNC(=O)N[C@H](CCF)C(=O)[O-]	ZINC000649527616	397627848	/nfs/dbraw/zinc/62/78/48/397627848.db2.gz	OMOZSLGEMNFOFE-SECBINFHSA-N	-1	0	262.281	0.691	20	30		CCEDRM
COC[C@H](C(=O)[O-])N(C)S(=O)(=O)c1ccccc1C#N	ZINC000547904461	285987240	/nfs/dbraw/zinc/98/72/40/285987240.db2.gz	YKDZTZOLHQGHSD-SNVBAGLBSA-N	-1	0	298.320	0.278	20	30		CCEDRM
C=CCN(C(=O)Cn1cc(C(=O)[O-])nn1)[C@@H](C)COC	ZINC000659193901	413335745	/nfs/dbraw/zinc/33/57/45/413335745.db2.gz	WMHDJBCIPPFKIT-VIFPVBQESA-N	-1	0	282.300	0.026	20	30		CCEDRM
C=CCCOCC(=O)N1CC[C@@H](OC)C[C@H]1C(=O)[O-]	ZINC000659220963	413345443	/nfs/dbraw/zinc/34/54/43/413345443.db2.gz	KDBZGYQUYIFUEZ-MNOVXSKESA-N	-1	0	271.313	0.670	20	30		CCEDRM
C#CC[C@@H](NS(=O)(=O)c1ccccc1)C(=O)[O-]	ZINC000008861691	170357679	/nfs/dbraw/zinc/35/76/79/170357679.db2.gz	CEDVYSBJYALOGL-SNVBAGLBSA-N	-1	0	253.279	0.441	20	30		CCEDRM
C[C@@H](Oc1ccccc1C#N)C(=O)NCc1nnn[n-]1	ZINC000044928497	411632763	/nfs/dbraw/zinc/63/27/63/411632763.db2.gz	QCRWQDWCUQESMD-MRVPVSSYSA-N	-1	0	272.268	0.155	20	30		CCEDRM
C=CCOC[C@@H](NC(=O)Cc1ccn(CC)n1)C(=O)[O-]	ZINC000652071509	411984847	/nfs/dbraw/zinc/98/48/47/411984847.db2.gz	YPCCHPQRZVZKQB-LLVKDONJSA-N	-1	0	281.312	0.218	20	30		CCEDRM
C[C@@H](O)[C@H](NC(=O)Nc1ccc(C#N)cc1)C(=O)[O-]	ZINC000022170534	171367872	/nfs/dbraw/zinc/36/78/72/171367872.db2.gz	VINXXJGQAZPKGF-XCBNKYQSSA-N	-1	0	263.253	0.514	20	30		CCEDRM
C=CCCCS(=O)(=O)N[C@H](Cc1ccncc1)C(=O)[O-]	ZINC000653496101	412308127	/nfs/dbraw/zinc/30/81/27/412308127.db2.gz	FMVUXPDGPNMBME-GFCCVEGCSA-N	-1	0	298.364	0.963	20	30		CCEDRM
C=CCOCCNC(=O)C(=O)N1CCC[C@@H](CC(=O)[O-])C1	ZINC000659663908	413759814	/nfs/dbraw/zinc/75/98/14/413759814.db2.gz	KGHZGGJYDHDJAT-NSHDSACASA-N	-1	0	298.339	0.019	20	30		CCEDRM
C=CCCNC(=O)C(=O)N1CCC(C)(C(=O)[O-])CC1	ZINC000659664401	413761004	/nfs/dbraw/zinc/76/10/04/413761004.db2.gz	PYDICXUTUWUWEP-UHFFFAOYSA-N	-1	0	268.313	0.392	20	30		CCEDRM
C[C@@H](Oc1ccc(C#N)cc1)C(=O)NCCC(=O)[O-]	ZINC000037411872	173188680	/nfs/dbraw/zinc/18/86/80/173188680.db2.gz	RLPSUCRZBSPIFH-SECBINFHSA-N	-1	0	262.265	0.916	20	30		CCEDRM
C=CCN(CC=C)C(=O)[C@H](C)N(C)Cc1n[n-]c(=O)o1	ZINC000660850435	414508598	/nfs/dbraw/zinc/50/85/98/414508598.db2.gz	MTEQJXKGTCTCLQ-JTQLQIEISA-N	-1	0	280.328	0.796	20	30		CCEDRM
C[C@H](CC(=O)[O-])NS(=O)(=O)c1ccc(F)c(C#N)c1	ZINC000071238457	176094006	/nfs/dbraw/zinc/09/40/06/176094006.db2.gz	DSIVAWLVSDYLHE-SSDOTTSWSA-N	-1	0	286.284	0.839	20	30		CCEDRM
CO[C@@H](C)c1nc(=NC(=O)N2CCO[C@@H](C#N)C2)s[n-]1	ZINC000350654316	227048834	/nfs/dbraw/zinc/04/88/34/227048834.db2.gz	TYRXRYFBKFTJRH-YUMQZZPRSA-N	-1	0	297.340	0.424	20	30		CCEDRM
CCn1cnnc1NC(=O)COC[C@@H]1CCOC1	ZINC000329122360	227312400	/nfs/dbraw/zinc/31/24/00/227312400.db2.gz	RBGBRAFHQMDTAG-SECBINFHSA-N	-1	0	254.290	0.939	20	30		CCEDRM
Cc1nc(CN(C)C(=O)N=c2cn[n-]s2)no1	ZINC000330020172	228017852	/nfs/dbraw/zinc/01/78/52/228017852.db2.gz	WGSQDUYGGVIDCX-UHFFFAOYSA-N	-1	0	254.275	0.907	20	30		CCEDRM
CCC(=O)N1CCCC[C@H]1C(=O)[N-]S(C)(=O)=O	ZINC000073086972	260165374	/nfs/dbraw/zinc/16/53/74/260165374.db2.gz	NWGXMOASZXOHKY-QMMMGPOBSA-N	-1	0	262.331	0.694	20	30		CCEDRM
C#C[C@H](CC)[N-]S(=O)(=O)c1scnc1C(=O)OC	ZINC000234037652	260337070	/nfs/dbraw/zinc/33/70/70/260337070.db2.gz	GFDRJYXYNQOXEP-SSDOTTSWSA-N	-1	0	288.350	0.620	20	30		CCEDRM
N#C[C@@H]1COCCN1C(=O)c1ccc([N+](=O)[O-])c([O-])c1	ZINC000175902564	261628915	/nfs/dbraw/zinc/62/89/15/261628915.db2.gz	CIKQFBAOKFEZSK-SECBINFHSA-N	-1	0	277.236	0.665	20	30		CCEDRM
C#C[C@H](CCC)NC(=O)Cc1n[n-]c(=NC)s1	ZINC000491764296	262015055	/nfs/dbraw/zinc/01/50/55/262015055.db2.gz	CLJJFRPODQOTFP-MRVPVSSYSA-N	-1	0	252.343	0.462	20	30		CCEDRM
CC(C)([N-]C(=O)C(F)(F)F)C(=O)N1CCO[C@H](C#N)C1	ZINC000277457790	263041267	/nfs/dbraw/zinc/04/12/67/263041267.db2.gz	GWHFZZBRMCRFEP-SSDOTTSWSA-N	-1	0	293.245	0.194	20	30		CCEDRM
CCNC(=O)CNC(=O)N=c1nc(C(C)(C)C)[n-]s1	ZINC000330650649	263988093	/nfs/dbraw/zinc/98/80/93/263988093.db2.gz	XOEMPHDJVVXWSG-UHFFFAOYSA-N	-1	0	285.373	0.720	20	30		CCEDRM
COCC(C)(C)NC([O-])=Nc1cccn(C)c1=O	ZINC000331258019	264182937	/nfs/dbraw/zinc/18/29/37/264182937.db2.gz	YSIAVMRSBTZCGU-UHFFFAOYSA-N	-1	0	253.302	0.945	20	30		CCEDRM
C#CC[C@@H](NS(=O)(=O)CCc1ccccc1)C(=O)[O-]	ZINC000161252080	264279222	/nfs/dbraw/zinc/27/92/22/264279222.db2.gz	ZKSLIMRLKPRFFN-GFCCVEGCSA-N	-1	0	281.333	0.625	20	30		CCEDRM
C=C[C@H](CO)NC(=O)N=c1[n-]nc(CC(C)C)s1	ZINC000349902948	265214625	/nfs/dbraw/zinc/21/46/25/265214625.db2.gz	DIHNJEQKEYUISG-MRVPVSSYSA-N	-1	0	270.358	0.827	20	30		CCEDRM
CC[C@H]1[C@@H](C(=O)[O-])CCN1S(=O)(=O)CCCC#N	ZINC000376694351	268009204	/nfs/dbraw/zinc/00/92/04/268009204.db2.gz	ILGDMFHRVWHVIB-UWVGGRQHSA-N	-1	0	274.342	0.805	20	30		CCEDRM
C=CCOCCNC(=O)N[C@@H](CC(F)F)C(=O)[O-]	ZINC000385966409	545085954	/nfs/dbraw/zinc/08/59/54/545085954.db2.gz	PKMSYBLDZJENRF-ZETCQYMHSA-N	-1	0	266.244	0.597	20	30		CCEDRM
C=CCC[C@H](NC(=O)NCc1cn(CC)nn1)C(=O)[O-]	ZINC000404413860	545091265	/nfs/dbraw/zinc/09/12/65/545091265.db2.gz	LKCQYZIKNYONDU-JTQLQIEISA-N	-1	0	281.316	0.517	20	30		CCEDRM
C=C[C@@H]1OCC[C@H]1CNC(=O)N=c1ccc(OC)n[n-]1	ZINC000580185460	327724771	/nfs/dbraw/zinc/72/47/71/327724771.db2.gz	VCDWTQIWPYGYRK-UWVGGRQHSA-N	-1	0	278.312	0.620	20	30		CCEDRM
Cc1cc(C(=O)[N-]S(=O)(=O)CCCC#N)ns1	ZINC000774172639	581962941	/nfs/dbraw/zinc/96/29/41/581962941.db2.gz	DNKGMGPALKTOPD-UHFFFAOYSA-N	-1	0	273.339	0.815	20	30		CCEDRM
CC(C)(CC#N)CNC(=O)C(=O)NCCCC(=O)[O-]	ZINC000563151828	327931306	/nfs/dbraw/zinc/93/13/06/327931306.db2.gz	XORLKXCHGVVELA-UHFFFAOYSA-N	-1	0	269.301	0.023	20	30		CCEDRM
C[C@H](C#N)CN(C)S(=O)(=O)N[C@@H](CC1CC1)C(=O)[O-]	ZINC000563224455	327981453	/nfs/dbraw/zinc/98/14/53/327981453.db2.gz	AOWXHJZXOHMRGL-SCZZXKLOSA-N	-1	0	289.357	0.166	20	30		CCEDRM
CC[C@@H](NS(=O)(=O)CC1(CC#N)CC1)C(=O)[O-]	ZINC000563569865	328074204	/nfs/dbraw/zinc/07/42/04/328074204.db2.gz	ARKDGZMGEDUZIK-MRVPVSSYSA-N	-1	0	260.315	0.463	20	30		CCEDRM
C=CCC[C@H](NC(=O)C1(C(=O)NC2CC2)CCC1)C(=O)[O-]	ZINC000571509874	328129383	/nfs/dbraw/zinc/12/93/83/328129383.db2.gz	BIPQODJUKBEOTQ-NSHDSACASA-N	-1	0	294.351	0.971	20	30		CCEDRM
CC(C)[C@@H](NS(=O)(=O)CC1(C#N)CC1)C(=O)[O-]	ZINC000571614117	328137671	/nfs/dbraw/zinc/13/76/71/328137671.db2.gz	DZQFUFSTSYVZJG-MRVPVSSYSA-N	-1	0	260.315	0.319	20	30		CCEDRM
N#C[C@H]1COCCN1S(=O)(=O)c1cccc(C(=O)[O-])c1	ZINC000273804588	328206598	/nfs/dbraw/zinc/20/65/98/328206598.db2.gz	TVAYLEPGKUPVMF-JTQLQIEISA-N	-1	0	296.304	0.298	20	30		CCEDRM
CC(C)Oc1ccc(=NC(=O)N[C@@H](C)C(=O)N(C)C)[n-]n1	ZINC000330563323	328463196	/nfs/dbraw/zinc/46/31/96/328463196.db2.gz	KRTYBXQMPZMBNS-VIFPVBQESA-N	-1	0	295.343	0.488	20	30		CCEDRM
CC(C)[C@@H](CC(=O)[O-])NS(=O)(=O)N(C)[C@@H](C)CC#N	ZINC000584294671	327224929	/nfs/dbraw/zinc/22/49/29/327224929.db2.gz	BWEBYZFIDPMOKJ-VHSXEESVSA-N	-1	0	291.373	0.554	20	30		CCEDRM
C=C(C)[C@H]1OCC[C@@H]1CNC(=O)N[C@H](C)C(=O)[O-]	ZINC000560488323	327313825	/nfs/dbraw/zinc/31/38/25/327313825.db2.gz	XMOICYNDNWZHIC-OPRDCNLKSA-N	-1	0	256.302	0.740	20	30		CCEDRM
C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)N[C@@H](CF)C(=O)[O-]	ZINC000583425668	327356755	/nfs/dbraw/zinc/35/67/55/327356755.db2.gz	ZLQHRQSFGKAXIB-UTLUCORTSA-N	-1	0	274.292	0.690	20	30		CCEDRM
CC#CC[C@@H](NS(=O)(=O)c1cnccc1C)C(=O)[O-]	ZINC000565056592	327430377	/nfs/dbraw/zinc/43/03/77/327430377.db2.gz	YISCMFQMGMVQMH-SNVBAGLBSA-N	-1	0	282.321	0.535	20	30		CCEDRM
C=CCOC[C@@H](NC(=O)[C@@H]1COc2ccccc21)C(=O)[O-]	ZINC000574900804	327540717	/nfs/dbraw/zinc/54/07/17/327540717.db2.gz	OIBZOVMXIQYGTK-VXGBXAGGSA-N	-1	0	291.303	0.935	20	30		CCEDRM
C=C(C)[C@H]1OCC[C@@H]1CNC(=O)c1n[nH]c(=O)[n-]1	ZINC000580392061	328803417	/nfs/dbraw/zinc/80/34/17/328803417.db2.gz	GEKILAYPVZJTLT-HTQZYQBOSA-N	-1	0	252.274	0.221	20	30		CCEDRM
N#Cc1cncc(S(=O)(=O)N[C@@H](C(=O)[O-])C2CCC2)c1	ZINC000399218675	329449234	/nfs/dbraw/zinc/44/92/34/329449234.db2.gz	UFJOMSQBPIHHFR-LLVKDONJSA-N	-1	0	295.320	0.485	20	30		CCEDRM
C=C[C@@H](CCC(=O)[O-])NS(=O)(=O)C[C@H](C)COCC	ZINC000583875510	329524300	/nfs/dbraw/zinc/52/43/00/329524300.db2.gz	KGCNXNOLUXZGNL-MNOVXSKESA-N	-1	0	293.385	0.998	20	30		CCEDRM
CN(CCC#N)S(=O)(=O)N1CCCC[C@@H]1C(=O)[O-]	ZINC000037499843	329550308	/nfs/dbraw/zinc/55/03/08/329550308.db2.gz	STJHQGQRRBHETP-SECBINFHSA-N	-1	0	275.330	0.016	20	30		CCEDRM
C=CCCn1cc(C(=O)N2CCOC[C@@H]2CC(=O)[O-])nn1	ZINC000425237007	329646273	/nfs/dbraw/zinc/64/62/73/329646273.db2.gz	GJIQQGNXVRSXDB-JTQLQIEISA-N	-1	0	294.311	0.170	20	30		CCEDRM
C=CCC1(C(=O)N[C@@H](CCOC)C(=O)[O-])CCOCC1	ZINC000425241948	329647090	/nfs/dbraw/zinc/64/70/90/329647090.db2.gz	OGPKUQGMBHHZQD-NSHDSACASA-N	-1	0	285.340	0.965	20	30		CCEDRM
C=CCCCCNC(=O)N=c1ncn(CC(=O)OCC)[n-]1	ZINC000425702221	329648572	/nfs/dbraw/zinc/64/85/72/329648572.db2.gz	NHOHHFLLLYNASZ-UHFFFAOYSA-N	-1	0	295.343	0.741	20	30		CCEDRM
C=CCCn1cc(C(=O)N2CC[C@H](C(=O)[O-])[C@@H]2C)nn1	ZINC000425248962	329650400	/nfs/dbraw/zinc/65/04/00/329650400.db2.gz	CUZMIYQDOAUPIE-UWVGGRQHSA-N	-1	0	278.312	0.789	20	30		CCEDRM
C=CCOCCCC(=O)N1C[C@@H](OC)C[C@H]1C(=O)[O-]	ZINC000262171096	330001311	/nfs/dbraw/zinc/00/13/11/330001311.db2.gz	QLUMBSOBGVMGTB-QWRGUYRKSA-N	-1	0	271.313	0.670	20	30		CCEDRM
C[C@@]1(C(=O)[O-])CCN(S(=O)(=O)CC2(C#N)CC2)C1	ZINC000262399540	330008191	/nfs/dbraw/zinc/00/81/91/330008191.db2.gz	JSNNDMSNQZUDEE-SNVBAGLBSA-N	-1	0	272.326	0.417	20	30		CCEDRM
C[C@@]1(C(=O)[O-])CCN(S(=O)(=O)CCCCC#N)C1	ZINC000262392114	330012381	/nfs/dbraw/zinc/01/23/81/330012381.db2.gz	IRAVXMLUEOLGLH-LLVKDONJSA-N	-1	0	274.342	0.807	20	30		CCEDRM
C=CCOc1cccnc1C(=O)N[C@@H](C)C(=O)[O-]	ZINC000262839939	330035205	/nfs/dbraw/zinc/03/52/05/330035205.db2.gz	ZJZIPUKNSXZEGQ-QMMMGPOBSA-N	-1	0	250.254	0.849	20	30		CCEDRM
C#C[C@H](NC(=O)NCCCC(=O)[O-])[C@H]1CCCO1	ZINC000263333481	330052379	/nfs/dbraw/zinc/05/23/79/330052379.db2.gz	CWIWGAPUUFIUHC-VHSXEESVSA-N	-1	0	254.286	0.331	20	30		CCEDRM
C[C@H](CC#N)N(C)S(=O)(=O)N1CC[C@](C)(C(=O)[O-])C1	ZINC000263452871	330056455	/nfs/dbraw/zinc/05/64/55/330056455.db2.gz	BCIOUHUTLGVCRN-KOLCDFICSA-N	-1	0	289.357	0.262	20	30		CCEDRM
CC(C)C[C@@H](NS(=O)(=O)N(C)C[C@H](C)C#N)C(=O)[O-]	ZINC000263569301	330062196	/nfs/dbraw/zinc/06/21/96/330062196.db2.gz	ZHKSDPMYAWRPTQ-NXEZZACHSA-N	-1	0	291.373	0.412	20	30		CCEDRM
C[C@H]1C[C@@H](C(=O)[O-])CN(S(=O)(=O)N(C)CCC#N)C1	ZINC000422555262	330149151	/nfs/dbraw/zinc/14/91/51/330149151.db2.gz	OQSFIWSZRPRHDT-VHSXEESVSA-N	-1	0	289.357	0.119	20	30		CCEDRM
C=CCN(C)C(=O)C(=O)N1C[C@H](C)C[C@@H](C(=O)[O-])C1	ZINC000422746313	330152949	/nfs/dbraw/zinc/15/29/49/330152949.db2.gz	ZHEWLEMGFXYCGV-NXEZZACHSA-N	-1	0	268.313	0.200	20	30		CCEDRM
C=CCn1cc(CNC(=O)NCCCC(=O)[O-])nn1	ZINC000424399726	330350171	/nfs/dbraw/zinc/35/01/71/330350171.db2.gz	RHUXUQMWSCJDER-UHFFFAOYSA-N	-1	0	267.289	0.128	20	30		CCEDRM
C=CCNC(=O)CNC(=O)c1ccc([O-])c([N+](=O)[O-])c1	ZINC000119745191	330379434	/nfs/dbraw/zinc/37/94/34/330379434.db2.gz	CZPWXYDXCLYPFA-UHFFFAOYSA-N	-1	0	279.252	0.332	20	30		CCEDRM
C=C[C@](C)(CCOC)C(=O)NCc1n[nH]c(=O)[n-]1	ZINC000437910683	330710865	/nfs/dbraw/zinc/71/08/65/330710865.db2.gz	QYQVIEUMFCZIQQ-LLVKDONJSA-N	-1	0	254.290	0.355	20	30		CCEDRM
C=CCOC[C@@H](NC(=O)CCc1cncc(F)c1)C(=O)[O-]	ZINC000455893584	331179809	/nfs/dbraw/zinc/17/98/09/331179809.db2.gz	DQOIKEVOOGMPJQ-GFCCVEGCSA-N	-1	0	296.298	0.925	20	30		CCEDRM
C#C[C@@H](NC(=O)c1c[nH]c2nc(=O)[n-]c(=O)c-2c1)C(C)C	ZINC000490629504	332097055	/nfs/dbraw/zinc/09/70/55/332097055.db2.gz	LYRGQZWVDXBKQO-SNVBAGLBSA-N	-1	0	286.291	0.824	20	30		CCEDRM
C#CCNC(=O)c1ccc(NCCC(C)(C)C(=O)[O-])nc1	ZINC000491651849	332265026	/nfs/dbraw/zinc/26/50/26/332265026.db2.gz	JPBNPLQPTXSSMF-UHFFFAOYSA-N	-1	0	289.335	0.779	20	30		CCEDRM
C=CCC[C@@H](NS(=O)(=O)c1cc(C)cnc1N)C(=O)[O-]	ZINC000516699039	333080980	/nfs/dbraw/zinc/08/09/80/333080980.db2.gz	HHMYKLCTMYBNGA-SECBINFHSA-N	-1	0	299.352	0.670	20	30		CCEDRM
Cc1nn(C)cc1S(=O)(=O)[N-]c1cc(CC#N)ccn1	ZINC000521105524	333111779	/nfs/dbraw/zinc/11/17/79/333111779.db2.gz	NUFKJCGBPQQYPR-UHFFFAOYSA-N	-1	0	291.336	0.990	20	30		CCEDRM
CC[C@](C)(C#N)NC(=O)c1c[nH]c2nc(=O)[n-]c(=O)c-2c1	ZINC000523670034	333336559	/nfs/dbraw/zinc/33/65/59/333336559.db2.gz	QDVIEDWXHKXICP-CYBMUJFWSA-N	-1	0	287.279	0.858	20	30		CCEDRM
CCC(C#N)(CC)C(=O)[N-]S(=O)(=O)c1cn(C)cn1	ZINC000529032502	333469533	/nfs/dbraw/zinc/46/95/33/333469533.db2.gz	URYNCDWOCDAYTA-UHFFFAOYSA-N	-1	0	284.341	0.555	20	30		CCEDRM
C=CCN(C1CC1)S(=O)(=O)c1c(C(=O)[O-])cnn1C	ZINC000530150682	333525771	/nfs/dbraw/zinc/52/57/71/333525771.db2.gz	WWYZJMUDWLWFNR-UHFFFAOYSA-N	-1	0	285.325	0.457	20	30		CCEDRM
C=CCC[C@H](NS(=O)(=O)[C@@H]1CCO[C@H](C)C1)C(=O)[O-]	ZINC000576105185	335154781	/nfs/dbraw/zinc/15/47/81/335154781.db2.gz	OITWUYHIWHUPON-MXWKQRLJSA-N	-1	0	291.369	0.893	20	30		CCEDRM
N#CC1(CS(=O)(=O)N2C[C@H]3CCC[C@]3(C(=O)[O-])C2)CC1	ZINC000548250844	334147218	/nfs/dbraw/zinc/14/72/18/334147218.db2.gz	WCLLLPGURIJUMI-MFKMUULPSA-N	-1	0	298.364	0.807	20	30		CCEDRM
C[C@@]1(C(=O)[O-])CCC[C@@H]1NS(=O)(=O)CC1(C#N)CC1	ZINC000548554207	334162422	/nfs/dbraw/zinc/16/24/22/334162422.db2.gz	MOJGWBXLVKIYQH-GXSJLCMTSA-N	-1	0	286.353	0.853	20	30		CCEDRM
CCC[C@@H](O)[C@@H](NS(=O)(=O)CCCCC#N)C(=O)[O-]	ZINC000548592329	334163207	/nfs/dbraw/zinc/16/32/07/334163207.db2.gz	CKZQWMUMOLRNIN-NXEZZACHSA-N	-1	0	292.357	0.214	20	30		CCEDRM
C=CCC[C@H](NC(=O)Cn1ccc([N+](=O)[O-])n1)C(=O)[O-]	ZINC000262853738	334575852	/nfs/dbraw/zinc/57/58/52/334575852.db2.gz	IAYIBUDLHOBBFG-QMMMGPOBSA-N	-1	0	282.256	0.327	20	30		CCEDRM
CCN(C[C@H](C)C(=O)[O-])S(=O)(=O)N(C)C[C@H](C)C#N	ZINC000565838041	334601904	/nfs/dbraw/zinc/60/19/04/334601904.db2.gz	VEICUIJUMXPKJB-ZJUUUORDSA-N	-1	0	291.373	0.365	20	30		CCEDRM
C=C[C@@H]1OCC[C@H]1CNC(=O)[C@@H]1CC[C@H](C(=O)[O-])O1	ZINC000572713844	334873662	/nfs/dbraw/zinc/87/36/62/334873662.db2.gz	IEBUHEGMVZOTBO-XWLWVQCSSA-N	-1	0	269.297	0.326	20	30		CCEDRM
C[C@@H]([C@H](NS(=O)(=O)CC1(C#N)CC1)C(=O)[O-])C1CC1	ZINC000573070546	334905627	/nfs/dbraw/zinc/90/56/27/334905627.db2.gz	BCALHXQSYYHSOV-SCZZXKLOSA-N	-1	0	286.353	0.709	20	30		CCEDRM
Cn1cc(C#N)c(=NC(=O)[C@@H]2CCC(=O)c3cccn32)[n-]1	ZINC000578062030	335474274	/nfs/dbraw/zinc/47/42/74/335474274.db2.gz	LFKUFQVRPYMRQT-NSHDSACASA-N	-1	0	283.291	0.671	20	30		CCEDRM
C=CCCS(=O)(=O)N1CCC[C@@H]([C@@H](O)C(=O)[O-])C1	ZINC000578293573	335596072	/nfs/dbraw/zinc/59/60/72/335596072.db2.gz	RAEUDYCSTALSNU-NXEZZACHSA-N	-1	0	277.342	0.050	20	30		CCEDRM
O=C(N=c1cn[n-]s1)N1CCOC[C@H]1[C@@H]1CCCO1	ZINC000329238248	534331800	/nfs/dbraw/zinc/33/18/00/534331800.db2.gz	KZBFJROVEDCMBC-IUCAKERBSA-N	-1	0	284.341	0.963	20	30		CCEDRM
COCCN(CC(=O)[O-])S(=O)(=O)c1ccc(C#N)cc1	ZINC000049607019	523667689	/nfs/dbraw/zinc/66/76/89/523667689.db2.gz	USGJGETXVLNXJK-UHFFFAOYSA-N	-1	0	298.320	0.280	20	30		CCEDRM
Cc1cc(=NC(=O)[C@H](C)n2cnc(C#N)n2)[n-]nc1C	ZINC000341440233	526107067	/nfs/dbraw/zinc/10/70/67/526107067.db2.gz	LTYHWFJTAZFJIK-VIFPVBQESA-N	-1	0	271.284	0.178	20	30		CCEDRM
CC#CCNC(=O)N=c1nc([C@H](C)OC)[n-]s1	ZINC000350723513	526373851	/nfs/dbraw/zinc/37/38/51/526373851.db2.gz	XUKCZQBPVWIBEI-ZETCQYMHSA-N	-1	0	254.315	0.812	20	30		CCEDRM
N#Cc1ccc(S(=O)(=O)[N-]c2ccc(C(N)=O)nc2)o1	ZINC000340945857	526683243	/nfs/dbraw/zinc/68/32/43/526683243.db2.gz	DITXKEZTHOSSGV-UHFFFAOYSA-N	-1	0	292.276	0.446	20	30		CCEDRM
C=C[C@@H]1OCC[C@H]1NC(=O)N=c1nc2n([n-]1)CCCC2	ZINC000333232400	527506937	/nfs/dbraw/zinc/50/69/37/527506937.db2.gz	YIWCUDGXVKVQAN-ZJUUUORDSA-N	-1	0	277.328	0.501	20	30		CCEDRM
CCN(CC#N)C(=O)c1c[nH]c2nc(=O)[n-]c(=O)c-2c1	ZINC000344467166	527887147	/nfs/dbraw/zinc/88/71/47/527887147.db2.gz	SEHXDUCMVVSPQJ-UHFFFAOYSA-N	-1	0	273.252	0.422	20	30		CCEDRM
CCC(=O)N1CC[C@@H](NC(=O)N=c2ccc(OC)n[n-]2)C1	ZINC000330017346	528332337	/nfs/dbraw/zinc/33/23/37/528332337.db2.gz	QYPXHOSQSRGSRB-SECBINFHSA-N	-1	0	293.327	0.244	20	30		CCEDRM
C=CCCO[C@@H](C)C(=O)N(C)Cc1n[n-]c(=O)o1	ZINC000673479025	545284420	/nfs/dbraw/zinc/28/44/20/545284420.db2.gz	ITHZGGNXHLLGGM-QMMMGPOBSA-N	-1	0	255.274	0.715	20	30		CCEDRM
COc1cc(C#N)ccc1S(=O)(=O)N[C@H](C)CC(=O)[O-]	ZINC000362002551	536885255	/nfs/dbraw/zinc/88/52/55/536885255.db2.gz	SCOZLCKKOIHSNY-MRVPVSSYSA-N	-1	0	298.320	0.708	20	30		CCEDRM
C=CC[C@@H](NS(=O)(=O)N(C)[C@@H](C)C1CC1)C(=O)[O-]	ZINC000681558469	545456180	/nfs/dbraw/zinc/45/61/80/545456180.db2.gz	RJWJPJSTRKCKQL-WCBMZHEXSA-N	-1	0	276.358	0.580	20	30		CCEDRM
C[C@@H](NC(=O)[O-])C(=O)O[C@H](C(N)=O)c1ccc(C#N)cc1	ZINC000738995034	581116782	/nfs/dbraw/zinc/11/67/82/581116782.db2.gz	LSQMNVSZRTUQPY-XCBNKYQSSA-N	-1	0	291.263	0.284	20	30		CCEDRM
N#CCN(CC(=O)[O-])C(=O)c1nnc2ccccc2c1O	ZINC000739085441	581174712	/nfs/dbraw/zinc/17/47/12/581174712.db2.gz	GPKBMZVTBCTUJO-UHFFFAOYSA-N	-1	0	286.247	0.386	20	30		CCEDRM
N#Cc1cccc(CNC(=O)CN2CCC[C@@H]2C(=O)[O-])c1	ZINC000739133999	581183039	/nfs/dbraw/zinc/18/30/39/581183039.db2.gz	SJNPPDZDAISRCY-CYBMUJFWSA-N	-1	0	287.319	0.723	20	30		CCEDRM
C#CCOc1ccccc1CNC(=O)N(C)CC(=O)[O-]	ZINC000780576240	581235005	/nfs/dbraw/zinc/23/50/05/581235005.db2.gz	VALUGRMBZZMTPO-UHFFFAOYSA-N	-1	0	276.292	0.925	20	30		CCEDRM
C=CCC1(C(=O)[N-]S(=O)(=O)[C@@H]2CCOC2)CCC1	ZINC000791812654	581235421	/nfs/dbraw/zinc/23/54/21/581235421.db2.gz	ZWHOZOBCRAODSU-SNVBAGLBSA-N	-1	0	273.354	0.968	20	30		CCEDRM
Cc1cc2cn[nH]c2c(C(=O)N(CC#N)CC(=O)[O-])c1	ZINC000738319343	581259842	/nfs/dbraw/zinc/25/98/42/581259842.db2.gz	IOJLKVOQKXWJPF-UHFFFAOYSA-N	-1	0	272.264	0.922	20	30		CCEDRM
Cc1cc(C(=O)N(CC#N)CC(=O)[O-])ccc1[N+](=O)[O-]	ZINC000738321044	581260620	/nfs/dbraw/zinc/26/06/20/581260620.db2.gz	YGUNAEAKYGGVNM-UHFFFAOYSA-N	-1	0	277.236	0.954	20	30		CCEDRM
Cc1nnc(N=NC2CCC(=O)NC2(C)C)[n-]c1=O	ZINC000792918012	581275904	/nfs/dbraw/zinc/27/59/04/581275904.db2.gz	UVVFYQJJUBHCAT-UHFFFAOYSA-N	-1	0	264.289	0.342	20	30		CCEDRM
CC[C@H](NN=C1C(=O)Nc2cc(O)ccc21)C(=O)[O-]	ZINC000793056561	581282719	/nfs/dbraw/zinc/28/27/19/581282719.db2.gz	VWBOZNQHAFJHDU-QMMMGPOBSA-N	-1	0	263.253	0.501	20	30		CCEDRM
CC[C@H](NNC1=CC(=O)N2CCCC[C@@H]12)C(=O)[O-]	ZINC000793057236	581283762	/nfs/dbraw/zinc/28/37/62/581283762.db2.gz	MZDONQIDPWAHMX-WPRPVWTQSA-N	-1	0	253.302	0.580	20	30		CCEDRM
CNC(=O)C(C#N)=C([O-])c1ccc(-c2nc[nH]n2)cc1	ZINC000793127614	581285034	/nfs/dbraw/zinc/28/50/34/581285034.db2.gz	WSZMHOJRNCGQST-JTQLQIEISA-N	-1	0	269.264	0.540	20	30		CCEDRM
Cc1n[nH]c(C(=O)NCc2ccc(C#N)cn2)c1[O-]	ZINC000782018235	581285409	/nfs/dbraw/zinc/28/54/09/581285409.db2.gz	HIIJNFSNVFXFTD-UHFFFAOYSA-N	-1	0	257.253	0.620	20	30		CCEDRM
CC[C@H]1CC[C@H](C(=O)[N-]S(=O)(=O)CC2(C#N)CC2)O1	ZINC000793194429	581287843	/nfs/dbraw/zinc/28/78/43/581287843.db2.gz	KOEAIWYKBSBHEA-VHSXEESVSA-N	-1	0	286.353	0.694	20	30		CCEDRM
C[C@@H]1C[C@H](C(=O)[N-]S(=O)(=O)CC2(C#N)CC2)CCO1	ZINC000793195848	581287908	/nfs/dbraw/zinc/28/79/08/581287908.db2.gz	GMFQVXIJSAWTMJ-NXEZZACHSA-N	-1	0	286.353	0.551	20	30		CCEDRM
COc1cccc(C(=O)[N-]S(=O)(=O)CC2(C#N)CC2)n1	ZINC000793196140	581288064	/nfs/dbraw/zinc/28/80/64/581288064.db2.gz	QIFNDLVTSWPCDN-UHFFFAOYSA-N	-1	0	295.320	0.454	20	30		CCEDRM
C=CCCOCC(=O)[N-]S(=O)(=O)CC1(C#N)CC1	ZINC000793206289	581288514	/nfs/dbraw/zinc/28/85/14/581288514.db2.gz	YQWIYUWXKKFGQR-UHFFFAOYSA-N	-1	0	272.326	0.329	20	30		CCEDRM
N#CCN1CCC(NC(=O)N[C@@H]2CCN(C(=O)[O-])C2)CC1	ZINC000740305356	581322603	/nfs/dbraw/zinc/32/26/03/581322603.db2.gz	MRYCYWLKTRMMJZ-LLVKDONJSA-N	-1	0	295.343	0.026	20	30		CCEDRM
N#Cc1ccc(CC(=O)N[C@H]2CCN(C(=O)[O-])C2)cc1	ZINC000740313485	581324088	/nfs/dbraw/zinc/32/40/88/581324088.db2.gz	TVXNCAFWAUGIIM-LBPRGKRZSA-N	-1	0	273.292	0.969	20	30		CCEDRM
N#Cc1ccccc1COC(=O)[C@H]1C[C@@H](O)CN1C(=O)[O-]	ZINC000740323081	581326258	/nfs/dbraw/zinc/32/62/58/581326258.db2.gz	HPXBNIISCMPETJ-VXGBXAGGSA-N	-1	0	290.275	0.715	20	30		CCEDRM
C#CCCN1CCN(C(=O)[C@@H](CCC)NC(=O)[O-])CC1	ZINC000738457277	581331095	/nfs/dbraw/zinc/33/10/95/581331095.db2.gz	LNJZILYLXYIERJ-GFCCVEGCSA-N	-1	0	281.356	0.590	20	30		CCEDRM
C#CCN1CCN(C(=O)[C@H](CCSC)NC(=O)[O-])CC1	ZINC000738460519	581333111	/nfs/dbraw/zinc/33/31/11/581333111.db2.gz	KOVRSNYHPIZKKD-NSHDSACASA-N	-1	0	299.396	0.153	20	30		CCEDRM
Cn1nncc1[N-]S(=O)(=O)c1ccc(C#N)c(F)c1	ZINC000794043942	581333461	/nfs/dbraw/zinc/33/34/61/581333461.db2.gz	VHJQKFFMPILGGD-UHFFFAOYSA-N	-1	0	281.272	0.627	20	30		CCEDRM
C=C[C@](C)(CCOC)C(=O)[N-]S(=O)(=O)CCOCC	ZINC000783091298	581335783	/nfs/dbraw/zinc/33/57/83/581335783.db2.gz	IEYAMPGJUNSTLV-GFCCVEGCSA-N	-1	0	293.385	0.698	20	30		CCEDRM
C#Cc1cccc(NC(=O)[C@@H]2C[C@H](O)CN2C(=O)[O-])c1	ZINC000738468047	581342012	/nfs/dbraw/zinc/34/20/12/581342012.db2.gz	RMNDBOPZXMWJGC-RYUDHWBXSA-N	-1	0	274.276	0.720	20	30		CCEDRM
Cc1ccn2ncc(C([O-])=C(C#N)C(=O)N3CCCC3)c2n1	ZINC000727952665	581342762	/nfs/dbraw/zinc/34/27/62/581342762.db2.gz	OZVNPSTZABMLSS-NSHDSACASA-N	-1	0	297.318	0.983	20	30		CCEDRM
C#Cc1ccc(C(=O)N2CC[C@@H](NC(=O)[O-])C2)nc1	ZINC000738470709	581344368	/nfs/dbraw/zinc/34/43/68/581344368.db2.gz	RPBCYCUTDOIWPX-SNVBAGLBSA-N	-1	0	259.265	0.545	20	30		CCEDRM
C#CCOCCNC(=O)[C@@H]1CC=CC[C@@H]1C(=O)[O-]	ZINC000783686047	581355979	/nfs/dbraw/zinc/35/59/79/581355979.db2.gz	VSXLXZPHJKHTIU-MNOVXSKESA-N	-1	0	251.282	0.419	20	30		CCEDRM
C=CCCC(=O)N1CCC[C@H](C(=O)NCCNC(=O)[O-])C1	ZINC000738487987	581357527	/nfs/dbraw/zinc/35/75/27/581357527.db2.gz	FDWIALKEDLJLKZ-NSHDSACASA-N	-1	0	297.355	0.575	20	30		CCEDRM
C=CCCC(=O)N(C)CC(=O)N1CCN(C(=O)[O-])CC1	ZINC000738489686	581359442	/nfs/dbraw/zinc/35/94/42/581359442.db2.gz	XFFJJGNHTNKLEA-UHFFFAOYSA-N	-1	0	283.328	0.233	20	30		CCEDRM
C[C@H]1C[C@H](C(=O)[N-]S(=O)(=O)CC(C)(C)C#N)CO1	ZINC000784542716	581387804	/nfs/dbraw/zinc/38/78/04/581387804.db2.gz	ZXJAPBAKAHOGPG-IUCAKERBSA-N	-1	0	274.342	0.407	20	30		CCEDRM
N#Cc1ccc(S(=O)(=O)[N-]N2CCCNC2=O)cc1	ZINC000784723938	581392890	/nfs/dbraw/zinc/39/28/90/581392890.db2.gz	KTPOMHZSZCDYOJ-UHFFFAOYSA-N	-1	0	280.309	0.167	20	30		CCEDRM
C=C(C)[C@H]1OCC[C@H]1C(=O)[N-]S(=O)(=O)CCCF	ZINC000786438971	581440596	/nfs/dbraw/zinc/44/05/96/581440596.db2.gz	HXACFPNVQDQVFD-NXEZZACHSA-N	-1	0	279.333	0.773	20	30		CCEDRM
COCCNC(=O)C(C#N)=C([O-])c1nnn(C(C)C)c1C	ZINC000796748053	581449891	/nfs/dbraw/zinc/44/98/91/581449891.db2.gz	OGECTPCNSVRQLH-JTQLQIEISA-N	-1	0	293.327	0.253	20	30		CCEDRM
Cc1c(CC(=O)[N-]S(=O)(=O)CC(C)(C)C#N)cnn1C	ZINC000797032247	581458213	/nfs/dbraw/zinc/45/82/13/581458213.db2.gz	PHHBBUTWPNFMJN-UHFFFAOYSA-N	-1	0	298.368	0.267	20	30		CCEDRM
N#Cc1ccc(C(=O)[N-]S(=O)(=O)[C@H]2CCCOC2)o1	ZINC000797048300	581458517	/nfs/dbraw/zinc/45/85/17/581458517.db2.gz	JQGZFFXGRIABNB-VIFPVBQESA-N	-1	0	284.293	0.390	20	30		CCEDRM
N#Cc1ccc(NCCNC(=O)CCCNC(=O)[O-])nc1	ZINC000739121359	581507938	/nfs/dbraw/zinc/50/79/38/581507938.db2.gz	OQQQLZGEULZCIE-UHFFFAOYSA-N	-1	0	291.311	0.529	20	30		CCEDRM
C[C@H]1CN(C(=O)C2(C#N)CCC2)CCN1C(=O)[O-]	ZINC000739120554	581507950	/nfs/dbraw/zinc/50/79/50/581507950.db2.gz	IGXANJAAKURIKQ-VIFPVBQESA-N	-1	0	251.286	0.891	20	30		CCEDRM
C[C@H]1CN(C(=O)C2(C#N)CCOCC2)CCN1C(=O)[O-]	ZINC000739120745	581507967	/nfs/dbraw/zinc/50/79/67/581507967.db2.gz	JEERITKYRVAWQH-JTQLQIEISA-N	-1	0	281.312	0.517	20	30		CCEDRM
C[C@H]1CN(C(=O)[O-])CCN1C(=O)c1ccc(C#N)cn1	ZINC000739156176	581513051	/nfs/dbraw/zinc/51/30/51/581513051.db2.gz	KOLZRASUEZGNAD-VIFPVBQESA-N	-1	0	274.280	0.778	20	30		CCEDRM
C#Cc1ccc(C(=O)Nc2nc(C#N)c(C#N)[n-]2)cn1	ZINC000728962193	581525490	/nfs/dbraw/zinc/52/54/90/581525490.db2.gz	IRHSUKWTINALCR-UHFFFAOYSA-N	-1	0	262.232	0.782	20	30		CCEDRM
C#Cc1ccc(C(=O)Nc2nc(C#N)c(C#N)[n-]2)nc1	ZINC000728962455	581525590	/nfs/dbraw/zinc/52/55/90/581525590.db2.gz	UODSTSKFWCBDPA-UHFFFAOYSA-N	-1	0	262.232	0.782	20	30		CCEDRM
O=C([O-])c1ccc2c(C=NN3CC(=O)NC3=O)[nH]nc2c1	ZINC000765565103	581525691	/nfs/dbraw/zinc/52/56/91/581525691.db2.gz	QROVXBLMRLHOLB-UHFFFAOYSA-N	-1	0	287.235	0.147	20	30		CCEDRM
CCN(CC(=O)Nc1cnn(CC#N)c1)C(=O)[O-]	ZINC000739401560	581547185	/nfs/dbraw/zinc/54/71/85/581547185.db2.gz	GOMZAQZDCXBOBB-UHFFFAOYSA-N	-1	0	251.246	0.345	20	30		CCEDRM
CCN(CCC#N)C(=O)CN1C[C@@H](C)N(C(=O)[O-])[C@H](C)C1	ZINC000739416084	581549407	/nfs/dbraw/zinc/54/94/07/581549407.db2.gz	XGLCDCQZIFNPJJ-VXGBXAGGSA-N	-1	0	296.371	0.821	20	30		CCEDRM
CN(C(=O)[C@@H]1CCN(C(=O)[O-])C1)C1(C#N)CCC1	ZINC000739576152	581574300	/nfs/dbraw/zinc/57/43/00/581574300.db2.gz	XCGJUGHNILMMTL-SECBINFHSA-N	-1	0	251.286	0.891	20	30		CCEDRM
C#CCOCCC(=O)[N-]S(=O)(=O)Cc1cccnc1	ZINC000766900087	581585428	/nfs/dbraw/zinc/58/54/28/581585428.db2.gz	BVVHNNUWNNGSRB-UHFFFAOYSA-N	-1	0	282.321	0.068	20	30		CCEDRM
C=CCCOCC(=O)[N-]S(=O)(=O)Cc1cccnc1	ZINC000766908365	581586735	/nfs/dbraw/zinc/58/67/35/581586735.db2.gz	AHAZFHLEVSPAEL-UHFFFAOYSA-N	-1	0	284.337	0.620	20	30		CCEDRM
CN(CCCNC(=O)[O-])C(=O)NCCCCC#N	ZINC000739679090	581591816	/nfs/dbraw/zinc/59/18/16/581591816.db2.gz	XYYDZSPBVVEDTO-UHFFFAOYSA-N	-1	0	256.306	0.979	20	30		CCEDRM
C#CCCS(=O)(=O)[N-]C(=O)CSc1ccncc1	ZINC000788067485	581610476	/nfs/dbraw/zinc/61/04/76/581610476.db2.gz	DSKANIIENUXUJE-UHFFFAOYSA-N	-1	0	284.362	0.643	20	30		CCEDRM
C#CCCS(=O)(=O)[N-]C(=O)c1ccncc1CC	ZINC000788070110	581643670	/nfs/dbraw/zinc/64/36/70/581643670.db2.gz	ILORWBMKTAHVEF-UHFFFAOYSA-N	-1	0	266.322	0.727	20	30		CCEDRM
CC#CCS(=O)(=O)[N-]C(=O)CC[C@H]1CCCCO1	ZINC000788071978	581649861	/nfs/dbraw/zinc/64/98/61/581649861.db2.gz	RYNCGVZLGJDECV-LLVKDONJSA-N	-1	0	273.354	0.805	20	30		CCEDRM
N#CCNC(=O)COC(=O)c1ccc(NC(=O)[O-])cc1O	ZINC000740305181	581662577	/nfs/dbraw/zinc/66/25/77/581662577.db2.gz	GCZBOOOHJYEVOM-UHFFFAOYSA-N	-1	0	293.235	0.279	20	30		CCEDRM
N#CC1(C(=O)N[C@@H]2CCC[C@@H]2CNC(=O)[O-])CCOCC1	ZINC000740308787	581663402	/nfs/dbraw/zinc/66/34/02/581663402.db2.gz	CBFWLWAOXFCTDX-GHMZBOCLSA-N	-1	0	295.339	0.859	20	30		CCEDRM
N#Cc1ccc(COC(=O)[C@H]2C[C@H](O)CN2C(=O)[O-])cc1	ZINC000740315345	581664388	/nfs/dbraw/zinc/66/43/88/581664388.db2.gz	MDMBDAHUUYLOLW-NWDGAFQWSA-N	-1	0	290.275	0.715	20	30		CCEDRM
N#Cc1cccc(COC(=O)[C@@H]2C[C@@H](O)CN2C(=O)[O-])c1	ZINC000740320680	581665016	/nfs/dbraw/zinc/66/50/16/581665016.db2.gz	WRRCUXJNAZTLBN-NEPJUHHUSA-N	-1	0	290.275	0.715	20	30		CCEDRM
CNC(=O)[C@H](C#N)C(=O)CCC(C)(C)NC(=O)[O-]	ZINC000739745405	581668189	/nfs/dbraw/zinc/66/81/89/581668189.db2.gz	VQOWHNOZKJWGRI-SSDOTTSWSA-N	-1	0	255.274	0.268	20	30		CCEDRM
O=C([O-])N1CC(=NNC(=S)NCCc2ccccn2)C1	ZINC000740488493	581686524	/nfs/dbraw/zinc/68/65/24/581686524.db2.gz	MRWVAZLPAOQOTI-UHFFFAOYSA-N	-1	0	293.352	0.438	20	30		CCEDRM
C#CCNC(=O)NCCOc1ccc(C(=O)[O-])cc1	ZINC000736075729	581694802	/nfs/dbraw/zinc/69/48/02/581694802.db2.gz	DVVCHYCAPIFENQ-UHFFFAOYSA-N	-1	0	262.265	0.696	20	30		CCEDRM
C#CCNC(=O)CNc1cc(OC)c(OC)cc1C(=O)[O-]	ZINC000736075799	581694816	/nfs/dbraw/zinc/69/48/16/581694816.db2.gz	HRWPEUSEUWLYAU-UHFFFAOYSA-N	-1	0	292.291	0.563	20	30		CCEDRM
C#CCCNC(=O)C(=O)Nc1ccc(CC(=O)[O-])cc1	ZINC000736077443	581695552	/nfs/dbraw/zinc/69/55/52/581695552.db2.gz	VBWCCECSQBJXMG-UHFFFAOYSA-N	-1	0	274.276	0.392	20	30		CCEDRM
C=CCCOCC(=O)N1CCCn2nc(C(=O)[O-])nc21	ZINC000736108509	581698226	/nfs/dbraw/zinc/69/82/26/581698226.db2.gz	WIEHXIRTOUUCFO-UHFFFAOYSA-N	-1	0	280.284	0.306	20	30		CCEDRM
C#Cc1ccc(C(=O)N2CCC[C@@H](C(=O)[O-])C2)nc1	ZINC000736093114	581701240	/nfs/dbraw/zinc/70/12/40/581701240.db2.gz	QZZMPGXQPHXGRZ-LLVKDONJSA-N	-1	0	258.277	1.000	20	30		CCEDRM
C=C(C)CN(CC)C(=O)CS(=O)(=O)C[C@H](C)C(=O)[O-]	ZINC000736095146	581701962	/nfs/dbraw/zinc/70/19/62/581701962.db2.gz	KYWKNPOGHOVXDR-JTQLQIEISA-N	-1	0	291.369	0.547	20	30		CCEDRM
C(=NNc1[n-]cnc2ncnc1-2)c1cn2cccnc2n1	ZINC000757575202	581703279	/nfs/dbraw/zinc/70/32/79/581703279.db2.gz	KLGOSAFJOCAMPF-UHFFFAOYSA-N	-1	0	279.267	0.842	20	30		CCEDRM
CC(=O)C1=C(C(=O)[O-])NC(=S)N[C@@H]1c1cscn1	ZINC000736125650	581704618	/nfs/dbraw/zinc/70/46/18/581704618.db2.gz	KGTYZGGYOPTKTP-SSDOTTSWSA-N	-1	0	283.334	0.590	20	30		CCEDRM
N#Cc1ccc(NC(=O)NOCC(N)=O)c(Cl)c1	ZINC000757727881	581708296	/nfs/dbraw/zinc/70/82/96/581708296.db2.gz	VGXYVIFQELNIBH-UHFFFAOYSA-N	-1	0	268.660	0.750	20	30		CCEDRM
CC(=O)Nc1ccc(C(=O)N(CC#N)CC(=O)[O-])cc1	ZINC000736160440	581710357	/nfs/dbraw/zinc/71/03/57/581710357.db2.gz	GZUYNROGMAEYJD-UHFFFAOYSA-N	-1	0	275.264	0.695	20	30		CCEDRM
CC(=O)c1cccc(S(=O)(=O)N(CC#N)CC(=O)[O-])c1	ZINC000736195839	581713556	/nfs/dbraw/zinc/71/35/56/581713556.db2.gz	IRYUIZWFWROGFF-UHFFFAOYSA-N	-1	0	296.304	0.488	20	30		CCEDRM
CC(C)(C)N1C[C@@H](C(=O)N(CC#N)CC(=O)[O-])CC1=O	ZINC000736261739	581725841	/nfs/dbraw/zinc/72/58/41/581725841.db2.gz	QVFCFCLYWYHBOG-VIFPVBQESA-N	-1	0	281.312	0.070	20	30		CCEDRM
CNC(=O)C(C#N)=C([O-])c1ccc(N2CCOCC2)cc1	ZINC000770105896	581729539	/nfs/dbraw/zinc/72/95/39/581729539.db2.gz	KGBGIQZLFTUPGN-ZDUSSCGKSA-N	-1	0	287.319	0.592	20	30		CCEDRM
CC(C)[C@H](C#N)N1CCN(C(=O)[C@@H]2C[C@H]2C(=O)[O-])CC1	ZINC000736346859	581745576	/nfs/dbraw/zinc/74/55/76/581745576.db2.gz	AMUXKSWGYFQGAB-UTUOFQBUSA-N	-1	0	279.340	0.399	20	30		CCEDRM
C[C@@H](Oc1cccc(C=NN2CN=NC2=O)c1)C(=O)[O-]	ZINC000770615145	581756112	/nfs/dbraw/zinc/75/61/12/581756112.db2.gz	HHWCCADHVFANQL-MRVPVSSYSA-N	-1	0	276.252	0.718	20	30		CCEDRM
CC(C)[C@@H](N[C@H](C(=O)[O-])c1ccc(C#N)cc1)C(N)=O	ZINC000736390979	581757456	/nfs/dbraw/zinc/75/74/56/581757456.db2.gz	YJLAJULPJHFJTM-NEPJUHHUSA-N	-1	0	275.308	0.783	20	30		CCEDRM
CC(C)NC(=O)[C@H](C#N)C(=O)CCSCC(=O)[O-]	ZINC000736477776	581775591	/nfs/dbraw/zinc/77/55/91/581775591.db2.gz	RZSBQAZBXJZWEU-MRVPVSSYSA-N	-1	0	272.326	0.428	20	30		CCEDRM
Cn1ncc2c1CC/C(=C/c1cn(CC(=O)[O-])nn1)C2=O	ZINC000759077712	581781825	/nfs/dbraw/zinc/78/18/25/581781825.db2.gz	VULVHPNQSXGPIH-YWEYNIOJSA-N	-1	0	287.279	0.309	20	30		CCEDRM
CC(C)c1nnc(Cn2cc(C(=O)[O-])cc(C#N)c2=O)o1	ZINC000736531971	581783555	/nfs/dbraw/zinc/78/35/55/581783555.db2.gz	IPXUPOGMYLJJSO-UHFFFAOYSA-N	-1	0	288.263	0.973	20	30		CCEDRM
C=CCCC(=O)[N-]S(=O)(=O)[C@H](C)[C@H](C)C(=O)OC	ZINC000771516790	581806475	/nfs/dbraw/zinc/80/64/75/581806475.db2.gz	FRMRRRMOMOKDPF-DTWKUNHWSA-N	-1	0	277.342	0.596	20	30		CCEDRM
NC(=O)CON=Cc1cccc(Br)c1[O-]	ZINC000771570929	581809410	/nfs/dbraw/zinc/80/94/10/581809410.db2.gz	LLPMVRPKTAUKFZ-UHFFFAOYSA-N	-1	0	273.086	0.991	20	30		CCEDRM
C[C@@H](O)c1cn(CC(=O)Nc2cc(C#N)ccc2[O-])nn1	ZINC000759717591	581817339	/nfs/dbraw/zinc/81/73/39/581817339.db2.gz	JPTPVEYBITWYIA-MRVPVSSYSA-N	-1	0	287.279	0.547	20	30		CCEDRM
N#Cc1ccc([O-])c(NC(=O)[C@H](O)C2CCOCC2)c1	ZINC000759712944	581817386	/nfs/dbraw/zinc/81/73/86/581817386.db2.gz	CNIRCBAHRKSLHU-CYBMUJFWSA-N	-1	0	276.292	0.990	20	30		CCEDRM
CS(=O)(=O)[N-]C(=O)Cc1ccc(OCC#N)cc1	ZINC000732493528	581830931	/nfs/dbraw/zinc/83/09/31/581830931.db2.gz	QGJIYLTYJLPIQL-UHFFFAOYSA-N	-1	0	268.294	0.207	20	30		CCEDRM
C=CCS(=O)(=O)[N-]C(=O)c1cccc2c1OCO2	ZINC000772712734	581885060	/nfs/dbraw/zinc/88/50/60/581885060.db2.gz	FGVHSCJKDKUWBM-UHFFFAOYSA-N	-1	0	269.278	0.661	20	30		CCEDRM
O=C([O-])COc1cccc(C=NN2CC(=O)NC2=O)c1	ZINC000733203729	581890205	/nfs/dbraw/zinc/89/02/05/581890205.db2.gz	XPFOVABOJDSHNJ-UHFFFAOYSA-N	-1	0	277.236	0.036	20	30		CCEDRM
CC(=NNCCS(C)(=O)=O)c1ccc(CC(=O)[O-])cc1	ZINC000733204612	581890731	/nfs/dbraw/zinc/89/07/31/581890731.db2.gz	WFRAJCWZTSNHJM-UHFFFAOYSA-N	-1	0	298.364	0.672	20	30		CCEDRM
CC#CC[C@H]([N-]S(=O)(=O)[C@@H](C)C(F)(F)F)C(=O)[O-]	ZINC000275072872	581937375	/nfs/dbraw/zinc/93/73/75/581937375.db2.gz	WYTLSBHVDCBBIL-BQBZGAKWSA-N	-1	0	287.259	0.723	20	30		CCEDRM
N#Cc1cccc([C@H]2CN(C(=O)c3n[nH]c(=O)[n-]3)CCO2)c1	ZINC000762304148	581939112	/nfs/dbraw/zinc/93/91/12/581939112.db2.gz	VIVGQGOANSUURG-LLVKDONJSA-N	-1	0	299.290	0.596	20	30		CCEDRM
CCn1nc(C)cc1C(=O)N(CC#N)CC(=O)[O-]	ZINC000737311679	581944144	/nfs/dbraw/zinc/94/41/44/581944144.db2.gz	FADGJDVSQZVTGS-UHFFFAOYSA-N	-1	0	250.258	0.262	20	30		CCEDRM
Cc1ncc(CO)c(C=NN=c2cc[nH]n2C)c1O	ZINC000774411112	581946815	/nfs/dbraw/zinc/94/68/15/581946815.db2.gz	ACWJHXJXWQPWDD-UHFFFAOYSA-N	-1	0	261.285	0.189	20	30		CCEDRM
CN(C)C(=S)NN=Cc1cc(C(=O)[O-])ccc1O	ZINC000737361928	581948583	/nfs/dbraw/zinc/94/85/83/581948583.db2.gz	RXZAFIJXFGAOOT-UHFFFAOYSA-N	-1	0	267.310	0.860	20	30		CCEDRM
COCCNC(=O)C(C#N)=C([O-])c1ccc(C(C)=O)o1	ZINC000774043009	581954671	/nfs/dbraw/zinc/95/46/71/581954671.db2.gz	LUAWTCPWKGSQMZ-VIFPVBQESA-N	-1	0	278.264	0.567	20	30		CCEDRM
C#CCN(CCCCC(=O)[O-])[C@@H]1CCS(=O)(=O)C1	ZINC000737492740	581965609	/nfs/dbraw/zinc/96/56/09/581965609.db2.gz	OYTTZAQFQAPYCT-LLVKDONJSA-N	-1	0	273.354	0.364	20	30		CCEDRM
N#Cc1ccc([O-])c(NC(=O)[C@H]2CCC(=O)NC2)c1	ZINC000748411127	581974082	/nfs/dbraw/zinc/97/40/82/581974082.db2.gz	KBAQYMICMYNDJS-VIFPVBQESA-N	-1	0	259.265	0.729	20	30		CCEDRM
N#Cc1cccc(OCC(=O)NCc2n[nH]c(=O)[n-]2)c1	ZINC000748417095	581974781	/nfs/dbraw/zinc/97/47/81/581974781.db2.gz	CKNQLLFHYYBRRT-UHFFFAOYSA-N	-1	0	273.252	0.077	20	30		CCEDRM
N#Cc1cnc(-n2cnc(-c3nnn[n-]3)n2)c(Cl)c1	ZINC000737729081	581997050	/nfs/dbraw/zinc/99/70/50/581997050.db2.gz	ZYFRTRZLRJRUCR-UHFFFAOYSA-N	-1	0	273.647	0.367	20	30		CCEDRM
Cc1[nH]nc(C(=O)N2CCN(C3CC3)[C@H](C#N)C2)c1[O-]	ZINC000749245989	582000930	/nfs/dbraw/zinc/00/09/30/582000930.db2.gz	DJULRDVIASYZSN-SNVBAGLBSA-N	-1	0	275.312	0.236	20	30		CCEDRM
CN(C(=O)[O-])C1CCN(c2nccnc2C#N)CC1	ZINC000737938282	582009100	/nfs/dbraw/zinc/00/91/00/582009100.db2.gz	AIPPSXQMSAVQDL-UHFFFAOYSA-N	-1	0	261.285	0.927	20	30		CCEDRM
Cn1nccc1C([O-])=C(C#N)C(=O)NC1CCCC1	ZINC000750398347	582043052	/nfs/dbraw/zinc/04/30/52/582043052.db2.gz	TVUFTMZXYQBVIJ-JTQLQIEISA-N	-1	0	260.297	0.801	20	30		CCEDRM
Cn1nccc1C([O-])=C(C#N)C(=O)NC1CCCC1	ZINC000750398356	582043203	/nfs/dbraw/zinc/04/32/03/582043203.db2.gz	TVUFTMZXYQBVIJ-SNVBAGLBSA-N	-1	0	260.297	0.801	20	30		CCEDRM
N#CCCCCNC(=O)N1CCO[C@H](C(=O)[O-])C1	ZINC000738428422	582048438	/nfs/dbraw/zinc/04/84/38/582048438.db2.gz	NOYTXSFNPYQSPU-VIFPVBQESA-N	-1	0	255.274	0.175	20	30		CCEDRM
CCO[C@H](CC)C(=O)[N-]S(=O)(=O)CCCC#N	ZINC000776116616	582052137	/nfs/dbraw/zinc/05/21/37/582052137.db2.gz	WACHZQLCNBTINH-SECBINFHSA-N	-1	0	262.331	0.551	20	30		CCEDRM
CCO[C@@H](CC)C(=O)[N-]S(=O)(=O)CC(C)(C)C#N	ZINC000776139099	582053375	/nfs/dbraw/zinc/05/33/75/582053375.db2.gz	UOSSNOAESODMBM-VIFPVBQESA-N	-1	0	276.358	0.797	20	30		CCEDRM
C=CCn1nnn(CN2CCN(C(=O)[O-])[C@@H](C)C2)c1=S	ZINC000738503316	582057093	/nfs/dbraw/zinc/05/70/93/582057093.db2.gz	OBXXCVJTJVKQSJ-VIFPVBQESA-N	-1	0	298.372	0.637	20	30		CCEDRM
C[C@H](C(=O)N(C)CCC#N)N1CCC[C@@H](N(C)C(=O)[O-])C1	ZINC000738605453	582065545	/nfs/dbraw/zinc/06/55/45/582065545.db2.gz	VSEIGVPFSFKZOU-VXGBXAGGSA-N	-1	0	296.371	0.821	20	30		CCEDRM
CC(C)[C@](C)(C#N)NC(=O)COC(=O)CN(C)C(=O)[O-]	ZINC000738762542	582074207	/nfs/dbraw/zinc/07/42/07/582074207.db2.gz	FTJLJKLJPFNONO-LBPRGKRZSA-N	-1	0	285.300	0.194	20	30		CCEDRM
CC(C)[C@@](C)(C#N)NC(=O)CN1CC[C@@H](NC(=O)[O-])C1	ZINC000738768152	582074800	/nfs/dbraw/zinc/07/48/00/582074800.db2.gz	WAYFLPGUDAWLFW-ZWNOBZJWSA-N	-1	0	282.344	0.383	20	30		CCEDRM
CC[C@H](CNS(=O)(=O)CC1(C#N)CC1)C(=O)[O-]	ZINC000776539781	582076858	/nfs/dbraw/zinc/07/68/58/582076858.db2.gz	XUXRRLITLLPAHI-MRVPVSSYSA-N	-1	0	260.315	0.320	20	30		CCEDRM
Cc1nonc1C[N-]S(=O)(=O)c1cccc(F)c1C#N	ZINC000751454729	582081331	/nfs/dbraw/zinc/08/13/31/582081331.db2.gz	VWTNRMLZNQNLII-UHFFFAOYSA-N	-1	0	296.283	0.867	20	30		CCEDRM
C=CCC[C@@H](NS(=O)(=O)[C@@H]1CCOC1)C(=O)[O-]	ZINC000776597253	582083579	/nfs/dbraw/zinc/08/35/79/582083579.db2.gz	NYESSZVBNBCXEC-RKDXNWHRSA-N	-1	0	263.315	0.114	20	30		CCEDRM
N#CCN(CC(=O)[O-])C(=O)[C@H]1CCOc2ccccc21	ZINC000739077433	582101432	/nfs/dbraw/zinc/10/14/32/582101432.db2.gz	OONFIGBANTVZGL-NSHDSACASA-N	-1	0	274.276	0.989	20	30		CCEDRM
N#CCNC(=O)COC(=O)c1ccc(C(=O)[O-])cc1	ZINC000739085998	582101825	/nfs/dbraw/zinc/10/18/25/582101825.db2.gz	MTTOTDRCXMQUNK-UHFFFAOYSA-N	-1	0	262.221	0.181	20	30		CCEDRM
N#CCN1CCC(Nc2ccc(C(=O)[O-])nn2)CC1	ZINC000739085710	582101848	/nfs/dbraw/zinc/10/18/48/582101848.db2.gz	JSSXZWIDNLLBTR-UHFFFAOYSA-N	-1	0	261.285	0.575	20	30		CCEDRM
COCCCNC(=O)C(C#N)=C([O-])c1cccc(OC)n1	ZINC000752162669	582102021	/nfs/dbraw/zinc/10/20/21/582102021.db2.gz	GNTUYPCTEHASBQ-JTQLQIEISA-N	-1	0	291.307	0.565	20	30		CCEDRM
N#CCn1cc(NC(=O)CCCNC(=O)[O-])cn1	ZINC000739093670	582102324	/nfs/dbraw/zinc/10/23/24/582102324.db2.gz	SASJROHYUWFLPJ-UHFFFAOYSA-N	-1	0	251.246	0.393	20	30		CCEDRM
N#Cc1ccc([C@@H](C(=O)[O-])N2CCO[C@H](C#N)C2)cc1	ZINC000739103943	582102812	/nfs/dbraw/zinc/10/28/12/582102812.db2.gz	DVWCWVNMVVCTSG-OLZOCXBDSA-N	-1	0	271.276	0.908	20	30		CCEDRM
N#CCN1CCN(C(=O)[C@@H]2CCC[C@H]2NC(=O)[O-])CC1	ZINC000831102629	603626103	/nfs/dbraw/zinc/62/61/03/603626103.db2.gz	PKIMDVRCBYZBOQ-GHMZBOCLSA-N	-1	0	280.328	0.090	20	30		CCEDRM
C=C(C)CN(CC)C(=O)COC1CN(C(=O)[O-])C1	ZINC000823473892	613293484	/nfs/dbraw/zinc/29/34/84/613293484.db2.gz	JHIFJPYFISWXAI-UHFFFAOYSA-N	-1	0	256.302	0.790	20	30		CCEDRM
C=C(C)CS(=O)(=O)N1C[C@@H]2CC[C@]2(C(=O)[O-])C1	ZINC000899956018	613354120	/nfs/dbraw/zinc/35/41/20/613354120.db2.gz	YIKCIJXFJTWUGM-ONGXEEELSA-N	-1	0	259.327	0.689	20	30		CCEDRM
C#CCCCNC(=O)N1CC[C@@H](OC)C[C@@H]1C(=O)[O-]	ZINC000909027445	612981415	/nfs/dbraw/zinc/98/14/15/612981415.db2.gz	JQJUZVBERCOHGM-GHMZBOCLSA-N	-1	0	268.313	0.673	20	30		CCEDRM
C[C@H](CS(=O)(=O)N[C@H]1CCC[C@@H]1C#N)C(=O)[O-]	ZINC000827553892	601798682	/nfs/dbraw/zinc/79/86/82/601798682.db2.gz	RHIMUGCKIWRXPD-HLTSFMKQSA-N	-1	0	260.315	0.319	20	30		CCEDRM
Cc1nn(CCC(C)(C)C#N)c(=O)c(-c2nnn[n-]2)c1C	ZINC000822501002	599124193	/nfs/dbraw/zinc/12/41/93/599124193.db2.gz	QGTOGLLMXHRRKR-UHFFFAOYSA-N	-1	0	287.327	0.980	20	30		CCEDRM
N#Cc1ncn(CC(=O)NC2(C(=O)[O-])CCCCC2)n1	ZINC000819111521	597334696	/nfs/dbraw/zinc/33/46/96/597334696.db2.gz	WVRYMIYMOTUOFS-UHFFFAOYSA-N	-1	0	277.284	0.053	20	30		CCEDRM
N#Cc1ccccc1OCC(=O)N1CC[C@H](C(=O)[O-])C1	ZINC000062118867	597499516	/nfs/dbraw/zinc/49/95/16/597499516.db2.gz	INUQBPXFJXAFPA-NSHDSACASA-N	-1	0	274.276	0.870	20	30		CCEDRM
C[C@@](C#N)(CC(=O)[O-])C(=O)OCC(=O)NCC1CCC1	ZINC000819865856	597616533	/nfs/dbraw/zinc/61/65/33/597616533.db2.gz	OWVXABTXAYXJAH-ZDUSSCGKSA-N	-1	0	282.296	0.450	20	30		CCEDRM
C[C@H](OC(=O)[C@@](C)(C#N)CC(=O)[O-])C(=O)NC1CCCC1	ZINC000820162048	597619863	/nfs/dbraw/zinc/61/98/63/597619863.db2.gz	XLUHFBDWKPDKMG-LKFCYVNXSA-N	-1	0	296.323	0.981	20	30		CCEDRM
C[C@](C#N)(CC(=O)[O-])C(=O)OCCCN1CCOCC1	ZINC000819865256	597621010	/nfs/dbraw/zinc/62/10/10/597621010.db2.gz	JPLUUURUPDYOKN-CYBMUJFWSA-N	-1	0	284.312	0.256	20	30		CCEDRM
C[C@](C#N)(CC(=O)[O-])C(=O)N1CCC(CC(N)=O)CC1	ZINC000819811404	597634186	/nfs/dbraw/zinc/63/41/86/597634186.db2.gz	OAPRWULWLNEFLD-CYBMUJFWSA-N	-1	0	281.312	0.105	20	30		CCEDRM
Cc1n[nH]cc1CCCNC(=O)[C@](C)(C#N)CC(=O)[O-]	ZINC000820934264	597641685	/nfs/dbraw/zinc/64/16/85/597641685.db2.gz	PWJCHKOEZUBFCW-ZDUSSCGKSA-N	-1	0	278.312	0.772	20	30		CCEDRM
C[C@@](C#N)(CC(=O)[O-])C(=O)NCc1cccc(CO)c1	ZINC000819843157	597644317	/nfs/dbraw/zinc/64/43/17/597644317.db2.gz	YPBRQVGGICUHRS-AWEZNQCLSA-N	-1	0	276.292	0.800	20	30		CCEDRM
C[C@@](C#N)(CC(=O)[O-])C(=O)N[C@H]1CCc2c[nH]nc2C1	ZINC000819835767	597655187	/nfs/dbraw/zinc/65/51/87/597655187.db2.gz	XQWLLACEMHFDKA-ZANVPECISA-N	-1	0	276.296	0.388	20	30		CCEDRM
O=C([O-])CCNN=Cc1cn(Cc2cccnc2)nn1	ZINC000821524741	597739456	/nfs/dbraw/zinc/73/94/56/597739456.db2.gz	QXCYLQZHMBIZLB-UHFFFAOYSA-N	-1	0	274.284	0.120	20	30		CCEDRM
N#CCSCC(=O)OC[C@H]1CCCN1CC(=O)[O-]	ZINC000821324335	598068638	/nfs/dbraw/zinc/06/86/38/598068638.db2.gz	ALFVVFKTRCKNBO-SECBINFHSA-N	-1	0	272.326	0.335	20	30		CCEDRM
C=CCNC(=O)CNC(=O)Nc1cccc(CC(=O)[O-])c1	ZINC000393803456	598198503	/nfs/dbraw/zinc/19/85/03/598198503.db2.gz	UFJHFGFFNYFDOK-UHFFFAOYSA-N	-1	0	291.307	0.737	20	30		CCEDRM
O=C([O-])c1cccc(C=NN[C@H]2CCS(=O)(=O)C2)c1	ZINC000814680611	598200925	/nfs/dbraw/zinc/20/09/25/598200925.db2.gz	ZJVVZEXGTCJEBM-NSHDSACASA-N	-1	0	282.321	0.495	20	30		CCEDRM
Cc1onc(CC(=O)N(C)[C@@H](C)C(=O)[O-])c1C#N	ZINC000821258180	598220571	/nfs/dbraw/zinc/22/05/71/598220571.db2.gz	ZNUSWXRGYXXYBJ-LURJTMIESA-N	-1	0	251.242	0.329	20	30		CCEDRM
Cc1noc([C@@H](C)NC(=O)[C@@](C)(C#N)CC(=O)[O-])n1	ZINC000821224744	598226008	/nfs/dbraw/zinc/22/60/08/598226008.db2.gz	JWANDKWBIKARLM-KSBSHMNSSA-N	-1	0	266.257	0.560	20	30		CCEDRM
C[C@](C#N)(CC(=O)[O-])C(=O)N1CCc2cncnc2C1	ZINC000819821559	598227362	/nfs/dbraw/zinc/22/73/62/598227362.db2.gz	IFYLNTLBHPWBQC-CYBMUJFWSA-N	-1	0	274.280	0.366	20	30		CCEDRM
C[C@@H](NC(=O)[C@](C)(C#N)CC(=O)[O-])c1cnn(C)c1	ZINC000820114560	598228430	/nfs/dbraw/zinc/22/84/30/598228430.db2.gz	PKQLGHFEZQIPAF-PELKAZGASA-N	-1	0	264.285	0.602	20	30		CCEDRM
C[C@](C#N)(CC(=O)[O-])C(=O)N1CCS[C@H]2COCC[C@@H]21	ZINC000819823711	598230608	/nfs/dbraw/zinc/23/06/08/598230608.db2.gz	VTFIZDZPGKFDMW-OUJBWJOFSA-N	-1	0	298.364	0.724	20	30		CCEDRM
C#CCO[C@H](C)C(=O)N[C@H](C(=O)[O-])c1cccc(O)c1	ZINC000911443534	613002982	/nfs/dbraw/zinc/00/29/82/613002982.db2.gz	KRXKIKRYXACBJN-SKDRFNHKSA-N	-1	0	277.276	0.672	20	30		CCEDRM
N#CCNC(=O)CN1Cc2ccccc2C[C@@H]1C(=O)[O-]	ZINC000061448943	599923437	/nfs/dbraw/zinc/92/34/37/599923437.db2.gz	BZOVHXDRMXLIGH-GFCCVEGCSA-N	-1	0	273.292	0.138	20	30		CCEDRM
N#C[C@@H]1CN(C(=O)c2cccc(C(=O)[O-])c2)CCO1	ZINC000093937599	599953070	/nfs/dbraw/zinc/95/30/70/599953070.db2.gz	BOZWHMPTRRPVBN-LLVKDONJSA-N	-1	0	260.249	0.749	20	30		CCEDRM
COCCN(CC(=O)[O-])CC(=O)Nc1ccc(C#N)cc1	ZINC000049607404	600446296	/nfs/dbraw/zinc/44/62/96/600446296.db2.gz	XBGPEKMWFASTRI-UHFFFAOYSA-N	-1	0	291.307	0.530	20	30		CCEDRM
N#CC1(C(=O)Nc2n[nH]c(CC(=O)[O-])n2)CCCC1	ZINC000739066401	600534060	/nfs/dbraw/zinc/53/40/60/600534060.db2.gz	LGIIZLSTZLHWPR-UHFFFAOYSA-N	-1	0	263.257	0.454	20	30		CCEDRM
C#CCSCCNC(=O)N1CC[C@@H](C(=O)[O-])C1	ZINC000231959494	600654025	/nfs/dbraw/zinc/65/40/25/600654025.db2.gz	WKKATYFCGZHDCD-SECBINFHSA-N	-1	0	256.327	0.469	20	30		CCEDRM
Cc1ccc(S(=O)(=O)N(CC#N)CC(=O)[O-])cc1C	ZINC000586125784	600763910	/nfs/dbraw/zinc/76/39/10/600763910.db2.gz	JTCYJPRPOHLBSK-UHFFFAOYSA-N	-1	0	282.321	0.902	20	30		CCEDRM
N#Cc1ccc(C(=O)N(CC(=O)[O-])C2CCOCC2)cn1	ZINC000833070605	600959208	/nfs/dbraw/zinc/95/92/08/600959208.db2.gz	OAOIDHYXSSJYFG-UHFFFAOYSA-N	-1	0	289.291	0.659	20	30		CCEDRM
N#CCN1CCN(C(=O)[C@@H]2CCC[C@H](C(=O)[O-])C2)CC1	ZINC000833067520	600964405	/nfs/dbraw/zinc/96/44/05/600964405.db2.gz	WNNYEYIEZOSOON-NEPJUHHUSA-N	-1	0	279.340	0.545	20	30		CCEDRM
N#CCN(CC(=O)[O-])C(=O)Cc1cccc([N+](=O)[O-])c1	ZINC000739079264	601020231	/nfs/dbraw/zinc/02/02/31/601020231.db2.gz	VBWITTJINQOFOX-UHFFFAOYSA-N	-1	0	277.236	0.574	20	30		CCEDRM
C#CCSCC(=O)[N-]S(=O)(=O)CC(F)(F)F	ZINC000892745749	613013003	/nfs/dbraw/zinc/01/30/03/613013003.db2.gz	ABOYFNYWEGVWPB-UHFFFAOYSA-N	-1	0	275.273	0.361	20	30		CCEDRM
N#C[C@H](NC(=O)Cn1cc(C(=O)[O-])nn1)C1CCCCC1	ZINC000833064709	601139824	/nfs/dbraw/zinc/13/98/24/601139824.db2.gz	VDDBJOOBEDEZIU-JTQLQIEISA-N	-1	0	291.311	0.565	20	30		CCEDRM
CS(=O)(=O)NN=Cc1ccc(NC(=O)[O-])nc1	ZINC000829691499	617176720	/nfs/dbraw/zinc/17/67/20/617176720.db2.gz	JWZJOIUNFPVILU-UHFFFAOYSA-N	-1	0	258.259	0.055	20	30		CCEDRM
N#C[C@@H]1COCCN1C(=O)[C@H]1CCC[C@H](C(=O)[O-])C1	ZINC000833062810	601211691	/nfs/dbraw/zinc/21/16/91/601211691.db2.gz	QITGVRSKCNYGOO-GARJFASQSA-N	-1	0	266.297	0.628	20	30		CCEDRM
COc1ccc(OC)c([C@H](O)CN(CC#N)CC(=O)[O-])c1	ZINC000832431349	601226582	/nfs/dbraw/zinc/22/65/82/601226582.db2.gz	NNDKEFXTHSRELK-GFCCVEGCSA-N	-1	0	294.307	0.647	20	30		CCEDRM
N#CCN(CC(=O)[O-])C[C@@H](O)COc1ccccc1Cl	ZINC000833067588	601242291	/nfs/dbraw/zinc/24/22/91/601242291.db2.gz	WCBOHONAYSWQGH-SNVBAGLBSA-N	-1	0	298.726	0.990	20	30		CCEDRM
Cn1cc(C#N)cc1C(=O)N1CCCC[C@H]1C(=O)[O-]	ZINC000821278143	601253341	/nfs/dbraw/zinc/25/33/41/601253341.db2.gz	ZRCUDQFIJUGXAQ-JTQLQIEISA-N	-1	0	261.281	0.976	20	30		CCEDRM
CN(CCC(=O)[O-])S(=O)(=O)NCc1ccc(C#N)cc1	ZINC000088769169	601254964	/nfs/dbraw/zinc/25/49/64/601254964.db2.gz	KIDGKVJESZJJBR-UHFFFAOYSA-N	-1	0	297.336	0.299	20	30		CCEDRM
O=C([O-])Cn1ccc(NC(=O)C#Cc2ccccc2)n1	ZINC000833273654	601281288	/nfs/dbraw/zinc/28/12/88/601281288.db2.gz	AYXXJSUHJMQTAJ-UHFFFAOYSA-N	-1	0	269.260	0.958	20	30		CCEDRM
N#Cc1cccc(S(=O)(=O)N2CC[C@@](F)(C(=O)[O-])C2)c1	ZINC000833075761	601390714	/nfs/dbraw/zinc/39/07/14/601390714.db2.gz	WIJMHCDOJZXFLJ-LBPRGKRZSA-N	-1	0	298.295	0.746	20	30		CCEDRM
N#CCC[C@@H](C#N)CN1CCO[C@H](CC(=O)[O-])C1	ZINC000833063192	601457922	/nfs/dbraw/zinc/45/79/22/601457922.db2.gz	UAJGNSXDCUUIGD-WDEREUQCSA-N	-1	0	251.286	0.605	20	30		CCEDRM
C[C@H](Sc1ccccn1)C(=O)N(CC#N)CC(=O)[O-]	ZINC000827921048	601572196	/nfs/dbraw/zinc/57/21/96/601572196.db2.gz	BCNWTMPUQOZEOU-VIFPVBQESA-N	-1	0	279.321	0.999	20	30		CCEDRM
C[C@@H]1CN(C(=O)NC2CCN(CC#N)CC2)C[C@@H]1C(=O)[O-]	ZINC000828348180	601660848	/nfs/dbraw/zinc/66/08/48/601660848.db2.gz	IEXCIKNQQATZBS-PWSUYJOCSA-N	-1	0	294.355	0.336	20	30		CCEDRM
Cn1cc(C#N)c(NC(=O)N2CC[C@@](F)(C(=O)[O-])C2)n1	ZINC000833040373	601732521	/nfs/dbraw/zinc/73/25/21/601732521.db2.gz	CVPHEUUQBYOAOU-NSHDSACASA-N	-1	0	281.247	0.322	20	30		CCEDRM
C#CCNC(=O)[C@H](C)[N@@H+]1CCC[C@@H]([C@H](C)NC(=O)[O-])C1	ZINC000823457187	612949653	/nfs/dbraw/zinc/94/96/53/612949653.db2.gz	WIAONUDBMTYTDG-SDDRHHMPSA-N	-1	0	281.356	0.492	20	30		CCEDRM
C#CCNC(=O)[C@H](C)[N@@H+](C)CC[C@H](NC(=O)[O-])C(C)C	ZINC000823456174	612949805	/nfs/dbraw/zinc/94/98/05/612949805.db2.gz	LEYFFNADAHLESO-RYUDHWBXSA-N	-1	0	283.372	0.738	20	30		CCEDRM
N#CCN1CCC(NC(=O)C[C@@H]2CCCN2C(=O)[O-])CC1	ZINC000831102324	602882400	/nfs/dbraw/zinc/88/24/00/602882400.db2.gz	GXMWIUIGHYPRIL-LBPRGKRZSA-N	-1	0	294.355	0.623	20	30		CCEDRM
N#Cc1c(F)cccc1S(=O)(=O)NCCNC(=O)[O-]	ZINC000831114613	603108673	/nfs/dbraw/zinc/10/86/73/603108673.db2.gz	PLFHGNNAMLBGIX-UHFFFAOYSA-N	-1	0	287.272	0.243	20	30		CCEDRM
N#Cc1cnn(C(=O)[C@@H]2CCC[C@@H](NC(=O)[O-])C2)c1N	ZINC000831162265	603521087	/nfs/dbraw/zinc/52/10/87/603521087.db2.gz	ZPMOLNVVLOVIPN-VXNVDRBHSA-N	-1	0	277.284	0.804	20	30		CCEDRM
N#C[C@@H]1CN(C(=O)[O-])CCN1C(=O)/C=C\c1cccnc1	ZINC000831076423	603598263	/nfs/dbraw/zinc/59/82/63/603598263.db2.gz	METMRSOWCHJJEI-VSQXVHSFSA-N	-1	0	286.291	0.809	20	30		CCEDRM
Cc1nccc(C(=O)N2CCN(C(=O)[O-])C[C@@H]2C#N)n1	ZINC000830812443	603600111	/nfs/dbraw/zinc/60/01/11/603600111.db2.gz	FRVIHGASMQIGKR-VIFPVBQESA-N	-1	0	275.268	0.113	20	30		CCEDRM
N#Cc1cccc(CNC(=O)NC2CN(C(=O)[O-])C2)c1	ZINC000831146360	603620201	/nfs/dbraw/zinc/62/02/01/603620201.db2.gz	NVUOMCHEWUFVNG-UHFFFAOYSA-N	-1	0	274.280	0.720	20	30		CCEDRM
C[C@@H](CC#N)NC(=O)C(C)(C)N1CCN(C(=O)[O-])CC1	ZINC000824545342	603708693	/nfs/dbraw/zinc/70/86/93/603708693.db2.gz	WKCPECSLUNCVHL-JTQLQIEISA-N	-1	0	282.344	0.479	20	30		CCEDRM
C[C@H](CC#N)NC(=O)C(C)(C)N1CCN(C(=O)[O-])CC1	ZINC000824545343	603708896	/nfs/dbraw/zinc/70/88/96/603708896.db2.gz	WKCPECSLUNCVHL-SNVBAGLBSA-N	-1	0	282.344	0.479	20	30		CCEDRM
N#CCN1CCC(CNC(=O)[C@H]2CCN(C(=O)[O-])C2)CC1	ZINC000831102647	603735458	/nfs/dbraw/zinc/73/54/58/603735458.db2.gz	PUPOYWFDUREDPY-LBPRGKRZSA-N	-1	0	294.355	0.338	20	30		CCEDRM
N#CCCNC(=O)COC(=O)C[C@@H]1CCCN1C(=O)[O-]	ZINC000831097901	603943641	/nfs/dbraw/zinc/94/36/41/603943641.db2.gz	YHXVVANUWFXFOD-VIFPVBQESA-N	-1	0	283.284	0.092	20	30		CCEDRM
N#CCNC(=O)CNc1cccc2c1CCN2C(=O)[O-]	ZINC000831102671	604012478	/nfs/dbraw/zinc/01/24/78/604012478.db2.gz	QHXAZZCQAYXHLC-UHFFFAOYSA-N	-1	0	274.280	0.779	20	30		CCEDRM
N#C[C@@H]1CN(C(=O)[O-])CCN1C(=O)c1cnn2ccccc12	ZINC000831091569	604068587	/nfs/dbraw/zinc/06/85/87/604068587.db2.gz	HSCMKNFZWFRZBX-SNVBAGLBSA-N	-1	0	299.290	0.662	20	30		CCEDRM
Cc1cncc(C(=O)N2CCN(C(=O)[O-])C[C@@H]2C#N)c1	ZINC000830634200	604069172	/nfs/dbraw/zinc/06/91/72/604069172.db2.gz	NDRQWELWQUOTPZ-NSHDSACASA-N	-1	0	274.280	0.718	20	30		CCEDRM
N#C[C@@H]1CN(C(=O)[O-])CCN1C(=O)[C@@H]1C[C@@H]1C1CC1	ZINC000831076127	604071379	/nfs/dbraw/zinc/07/13/79/604071379.db2.gz	GWERNTVWBIOKAR-GMTAPVOTSA-N	-1	0	263.297	0.747	20	30		CCEDRM
N#C[C@H]1CN(C(=O)[O-])CCN1C(=O)CC1CCC1	ZINC000831075966	604078342	/nfs/dbraw/zinc/07/83/42/604078342.db2.gz	FCKHOPMIMLBCQJ-JTQLQIEISA-N	-1	0	251.286	0.891	20	30		CCEDRM
N#C[C@@H]1CN(C(=O)[O-])CCN1C(=O)C1CC(F)(F)C1	ZINC000831077318	604078572	/nfs/dbraw/zinc/07/85/72/604078572.db2.gz	ZDMAOVGPMSQLDY-MRVPVSSYSA-N	-1	0	273.239	0.746	20	30		CCEDRM
N#C[C@H]1CN(C(=O)[O-])CCN1C(=O)C[C@H]1CCOC1	ZINC000831083328	604078680	/nfs/dbraw/zinc/07/86/80/604078680.db2.gz	ZHKOEBZXJIHYIR-ZJUUUORDSA-N	-1	0	267.285	0.127	20	30		CCEDRM
Cc1cccnc1C(=O)N1CCN(C(=O)[O-])C[C@@H]1C#N	ZINC000830595798	604083154	/nfs/dbraw/zinc/08/31/54/604083154.db2.gz	UKGBZJGLTXPCFY-JTQLQIEISA-N	-1	0	274.280	0.718	20	30		CCEDRM
N#C[C@H]1CN(C(=O)[O-])CCN1C(=O)COCC(F)(F)F	ZINC000831082792	604087118	/nfs/dbraw/zinc/08/71/18/604087118.db2.gz	REZYPBCIOFWKBP-ZETCQYMHSA-N	-1	0	295.217	0.280	20	30		CCEDRM
N#C[C@H]1CN(C(=O)[O-])CCN1C(=O)C[C@@H]1CCCCO1	ZINC000831082573	604222490	/nfs/dbraw/zinc/22/24/90/604222490.db2.gz	OBWOYRFQVLMRGB-QWRGUYRKSA-N	-1	0	281.312	0.660	20	30		CCEDRM
N#Cc1ccc([C@H](O)CN2CCN(C(=O)[O-])CC2)cc1	ZINC000831122802	604413873	/nfs/dbraw/zinc/41/38/73/604413873.db2.gz	SFQNSVBTPYBTBK-CYBMUJFWSA-N	-1	0	275.308	0.887	20	30		CCEDRM
N#Cc1ccc(OCCNC(=O)C2(NC(=O)[O-])CC2)cc1	ZINC000831142386	604473541	/nfs/dbraw/zinc/47/35/41/604473541.db2.gz	XEUUPOKWUZVWJC-UHFFFAOYSA-N	-1	0	289.291	0.853	20	30		CCEDRM
N#C[C@H]1CN(C(=O)[O-])CCN1C(=O)Cc1ccc(O)cc1	ZINC000831082556	604486651	/nfs/dbraw/zinc/48/66/51/604486651.db2.gz	NUURQFAMOBKXCG-NSHDSACASA-N	-1	0	289.291	0.649	20	30		CCEDRM
C[C@@H](NC(=O)[O-])[C@H]1CN(C(=O)NCCCCC#N)CCO1	ZINC000825317732	604546680	/nfs/dbraw/zinc/54/66/80/604546680.db2.gz	JNARXFFJBUWXOG-GHMZBOCLSA-N	-1	0	298.343	0.747	20	30		CCEDRM
C[C@H]1C(=O)NCCN1Cc1cccc(C(=O)[O-])c1C#N	ZINC000833583683	604607402	/nfs/dbraw/zinc/60/74/02/604607402.db2.gz	KCQIRXNSHXLRKG-VIFPVBQESA-N	-1	0	273.292	0.577	20	30		CCEDRM
N#CCN(C(=O)C[C@@H]1CN(C(=O)[O-])CCO1)C1CC1	ZINC000831097451	604751568	/nfs/dbraw/zinc/75/15/68/604751568.db2.gz	JLHUKIRARJIBFV-SNVBAGLBSA-N	-1	0	267.285	0.270	20	30		CCEDRM
C#CCNC(=O)CN1CC[C@H](C(=O)[O-])c2ccccc21	ZINC000167284078	604772960	/nfs/dbraw/zinc/77/29/60/604772960.db2.gz	VNHCMAJXUSOTGJ-LBPRGKRZSA-N	-1	0	272.304	0.814	20	30		CCEDRM
N#Cc1ccccc1OCCc1cn(CC(=O)[O-])nn1	ZINC000833076581	604780270	/nfs/dbraw/zinc/78/02/70/604780270.db2.gz	JLBVQZNLMPRZRF-UHFFFAOYSA-N	-1	0	272.264	0.856	20	30		CCEDRM
C[C@H](CC#N)NC(=O)C[C@H]1CN(C(=O)[O-])CCO1	ZINC000824545363	604789005	/nfs/dbraw/zinc/78/90/05/604789005.db2.gz	WRQFJUIKTNLVTK-BDAKNGLRSA-N	-1	0	255.274	0.174	20	30		CCEDRM
N#CC1CCN(C(=O)C[C@@H]2CN(C(=O)[O-])CCO2)CC1	ZINC000831076768	604789386	/nfs/dbraw/zinc/78/93/86/604789386.db2.gz	SKYWUBPWLOYKCU-LLVKDONJSA-N	-1	0	281.312	0.517	20	30		CCEDRM
N#CC1CCN(C(=O)[C@H]2CN(C(=O)[O-])CCO2)CC1	ZINC000831077028	604789504	/nfs/dbraw/zinc/78/95/04/604789504.db2.gz	VNATYRCINZQCPS-SNVBAGLBSA-N	-1	0	267.285	0.127	20	30		CCEDRM
O=C([O-])C[C@@H]1C(=O)NCCN1CC#Cc1ccc(F)cc1	ZINC000833208136	604833796	/nfs/dbraw/zinc/83/37/96/604833796.db2.gz	SEWHJTXGNYQOBL-CYBMUJFWSA-N	-1	0	290.294	0.452	20	30		CCEDRM
C#CC[C@@H](NC(=O)[C@H](Cc1ccccc1)OC)C(=O)[O-]	ZINC000910050152	613041080	/nfs/dbraw/zinc/04/10/80/613041080.db2.gz	GLYCIARQGDJZBA-OLZOCXBDSA-N	-1	0	275.304	0.837	20	30		CCEDRM
C[C@H](CC#N)N(C)CCc1cn(CC(=O)[O-])nn1	ZINC000833516417	604918737	/nfs/dbraw/zinc/91/87/37/604918737.db2.gz	VWLRXTYVLUYYON-SECBINFHSA-N	-1	0	251.290	0.139	20	30		CCEDRM
C[C@H]1CC(=O)NCCN1Cc1cccc(C(=O)[O-])c1C#N	ZINC000833593503	604932554	/nfs/dbraw/zinc/93/25/54/604932554.db2.gz	SNLYHUAWGXFSFA-JTQLQIEISA-N	-1	0	287.319	0.967	20	30		CCEDRM
CC(C)CN(CCC#N)CN1C[C@H](C(=O)[O-])CC1=O	ZINC000833488956	605170378	/nfs/dbraw/zinc/17/03/78/605170378.db2.gz	VHZUNXZONILZGE-LLVKDONJSA-N	-1	0	267.329	0.749	20	30		CCEDRM
CC1(C#N)CCN(CN2C[C@H](C(=O)[O-])CC2=O)CC1	ZINC000833551551	605178070	/nfs/dbraw/zinc/17/80/70/605178070.db2.gz	OZNVWTNNECSCIY-SNVBAGLBSA-N	-1	0	265.313	0.503	20	30		CCEDRM
CC(C)(C#N)CCN1C(=O)N[C@@]2(CCN(C(=O)[O-])C2)C1=O	ZINC000823738535	605348990	/nfs/dbraw/zinc/34/89/90/605348990.db2.gz	XWYBEUNKDWEXHJ-CYBMUJFWSA-N	-1	0	294.311	0.601	20	30		CCEDRM
C[C@@H](CC#N)N(C)C(=O)CO[C@@H]1CCCN(C(=O)[O-])C1	ZINC000824545030	605388566	/nfs/dbraw/zinc/38/85/66/605388566.db2.gz	UKTXCHFZMXUKGK-WDEREUQCSA-N	-1	0	283.328	0.906	20	30		CCEDRM
C#CCOCCNS(=O)(=O)c1cccc(C(=O)[O-])c1	ZINC000833366054	605418447	/nfs/dbraw/zinc/41/84/47/605418447.db2.gz	DDBHIBDVBGCIJL-UHFFFAOYSA-N	-1	0	283.305	0.313	20	30		CCEDRM
C#CCCNC(=O)N1CC[C@H]([C@H](C)NC(=O)[O-])C1	ZINC000833787583	613047029	/nfs/dbraw/zinc/04/70/29/613047029.db2.gz	UTZRIEDTJXYKDQ-UWVGGRQHSA-N	-1	0	253.302	0.697	20	30		CCEDRM
N#C[C@@H]1CN(C(=O)C[C@H]2CSCCN2C(=O)[O-])CCO1	ZINC000831075715	605644863	/nfs/dbraw/zinc/64/48/63/605644863.db2.gz	CGVNUINSTGVPAI-VHSXEESVSA-N	-1	0	299.352	0.223	20	30		CCEDRM
Cc1onc(CC(=O)N2CCC[C@@H]2CNC(=O)[O-])c1C#N	ZINC000833935728	605680226	/nfs/dbraw/zinc/68/02/26/605680226.db2.gz	IGAPEJVGFFTHFM-SECBINFHSA-N	-1	0	292.295	0.656	20	30		CCEDRM
Cc1onc(CC(=O)N[C@@H]2CCN(C(=O)[O-])C2)c1C#N	ZINC000833935731	605693371	/nfs/dbraw/zinc/69/33/71/605693371.db2.gz	IMVOPCRHTBUAEL-MRVPVSSYSA-N	-1	0	278.268	0.266	20	30		CCEDRM
N#C[C@H]1CN(C(=O)[O-])CCN1C(=O)[C@@H]1CCCCO1	ZINC000831075693	605710558	/nfs/dbraw/zinc/71/05/58/605710558.db2.gz	BYOHABKXQSRCKB-UWVGGRQHSA-N	-1	0	267.285	0.270	20	30		CCEDRM
N#Cc1ccc(-c2nc([C@H]3COCCN3C(=O)[O-])no2)[nH]1	ZINC000833975287	605712173	/nfs/dbraw/zinc/71/21/73/605712173.db2.gz	VBDHVERPQNJABG-SECBINFHSA-N	-1	0	289.251	0.988	20	30		CCEDRM
O=C([O-])N1CCOC[C@@H]1[C@H]1CCCC1=NN1CCOCC1	ZINC000834115507	605738948	/nfs/dbraw/zinc/73/89/48/605738948.db2.gz	FOPOZFYHQWWIPI-WCQYABFASA-N	-1	0	297.355	0.854	20	30		CCEDRM
N#Cc1cccc(C2(NC(=O)CNC(=O)[O-])CC2)c1	ZINC000833978425	605743393	/nfs/dbraw/zinc/74/33/93/605743393.db2.gz	LCYOSFNQKAQJNL-UHFFFAOYSA-N	-1	0	259.265	0.931	20	30		CCEDRM
NC(=O)CON=C1CCC[C@H]1[C@@H]1CCCN1C(=O)[O-]	ZINC000833984357	605754656	/nfs/dbraw/zinc/75/46/56/605754656.db2.gz	DSOMCMLTDQQVSB-SCZZXKLOSA-N	-1	0	269.301	0.787	20	30		CCEDRM
C#CCCNS(=O)(=O)c1cc(F)c(F)c(C(=O)[O-])c1	ZINC000825608553	613048100	/nfs/dbraw/zinc/04/81/00/613048100.db2.gz	CHOAGNIJFPTZGQ-UHFFFAOYSA-N	-1	0	289.259	0.965	20	30		CCEDRM
N#Cc1ccc([C@@H](O)C(=O)N[C@@H]2CCN(C(=O)[O-])C2)cc1	ZINC000833972879	605837937	/nfs/dbraw/zinc/83/79/37/605837937.db2.gz	IFBVWOJEEXXPSJ-VXGBXAGGSA-N	-1	0	289.291	0.460	20	30		CCEDRM
N#C[C@H]1CN(C(=O)[O-])CCN1C(=O)c1cccc(O)c1	ZINC000833966065	605840111	/nfs/dbraw/zinc/84/01/11/605840111.db2.gz	HEHWUGMEPIFVQX-JTQLQIEISA-N	-1	0	275.264	0.720	20	30		CCEDRM
N#Cc1nc(NC(=O)CCn2cccc2)[n-]c1-c1nn[nH]n1	ZINC000822814972	606197272	/nfs/dbraw/zinc/19/72/72/606197272.db2.gz	MIYQMXRHXOQNBX-UHFFFAOYSA-N	-1	0	297.282	0.292	20	30		CCEDRM
N#Cc1nc(-n2cnc(-c3nnn[n-]3)n2)ccc1Cl	ZINC000822845706	606446344	/nfs/dbraw/zinc/44/63/44/606446344.db2.gz	FDJXOMFOQMIZTI-UHFFFAOYSA-N	-1	0	273.647	0.367	20	30		CCEDRM
C#CCCS(=O)(=O)[N-]C(=O)Cc1ccccc1C#C	ZINC000810779095	613052908	/nfs/dbraw/zinc/05/29/08/613052908.db2.gz	YHACEQWNRIJKSN-UHFFFAOYSA-N	-1	0	275.329	0.680	20	30		CCEDRM
C#CCCS(=O)(=O)[N-]C(=O)C1(OC)CCCC1	ZINC000810780232	613052709	/nfs/dbraw/zinc/05/27/09/613052709.db2.gz	URWCDZBZZZLBGC-UHFFFAOYSA-N	-1	0	259.327	0.415	20	30		CCEDRM
C#CCCS(=O)(=O)[N-]C(=O)[C@H](C)OCCC(C)C	ZINC000810784067	613053158	/nfs/dbraw/zinc/05/31/58/613053158.db2.gz	QOZAZIVIUQNUAY-NSHDSACASA-N	-1	0	275.370	0.907	20	30		CCEDRM
Cc1nc(-c2nnn[n-]2)c(N=NCc2cncn2C)o1	ZINC000826322750	607886928	/nfs/dbraw/zinc/88/69/28/607886928.db2.gz	AJBLDFICCPXQLQ-UHFFFAOYSA-N	-1	0	273.260	0.343	20	30		CCEDRM
N#Cc1nc(NC(=O)c2cccc(F)n2)[n-]c1-c1nn[nH]n1	ZINC000826382572	608117004	/nfs/dbraw/zinc/11/70/04/608117004.db2.gz	KKXSIDMQWPZHNC-UHFFFAOYSA-N	-1	0	299.229	0.248	20	30		CCEDRM
C#CCNS(=O)(=O)c1cccc(C)c1C(=O)[O-]	ZINC000833364206	612957064	/nfs/dbraw/zinc/95/70/64/612957064.db2.gz	LKUZBGLUSBZQAS-UHFFFAOYSA-N	-1	0	253.279	0.605	20	30		CCEDRM
C#C[C@@H](NC(=O)C12CC(C(=O)[O-])(C1)C2)[C@@H]1CCCO1	ZINC000911580926	613091748	/nfs/dbraw/zinc/09/17/48/613091748.db2.gz	VFBBMMLQIFQWKA-JZNMGUDDSA-N	-1	0	263.293	0.538	20	30		CCEDRM
C#CCN(CC(=O)[O-])S(=O)(=O)C[C@@H](C)COCC	ZINC000849218817	613103454	/nfs/dbraw/zinc/10/34/54/613103454.db2.gz	JUBUWKYDUALEEJ-JTQLQIEISA-N	-1	0	277.342	0.009	20	30		CCEDRM
C=C(Cl)C[C@@H](NC(=O)COCC(F)F)C(=O)[O-]	ZINC000864186294	613388402	/nfs/dbraw/zinc/38/84/02/613388402.db2.gz	MIWMOBYDOPHVST-ZCFIWIBFSA-N	-1	0	271.647	0.980	20	30		CCEDRM
CC(C)(C)OC(=O)N1CCN(CC(=O)[O-])[C@H](C#N)C1	ZINC000817809063	613975878	/nfs/dbraw/zinc/97/58/78/613975878.db2.gz	YCTFOFZVXHXDFU-SECBINFHSA-N	-1	0	269.301	0.516	20	30		CCEDRM
CC(C)CN(CCC#N)C(=O)CCCc1nnn[n-]1	ZINC000874230444	614078695	/nfs/dbraw/zinc/07/86/95/614078695.db2.gz	ADMGBMJHGJNVAK-UHFFFAOYSA-N	-1	0	264.333	0.921	20	30		CCEDRM
CC(C)N(C)S(=O)(=O)[N-]C(=O)CCCCC#N	ZINC000847639761	614269789	/nfs/dbraw/zinc/26/97/89/614269789.db2.gz	ABAKLSCQNFHBLG-UHFFFAOYSA-N	-1	0	261.347	0.772	20	30		CCEDRM
CC(C)[N@H+](C)CC(=O)N1CCN(C(=O)[O-])C[C@H]1C#N	ZINC000824330117	614252512	/nfs/dbraw/zinc/25/25/12/614252512.db2.gz	RYXSPBHLRFZIAO-SNVBAGLBSA-N	-1	0	268.317	0.041	20	30		CCEDRM
C#CCOCCC(=O)N[C@H](C(=O)[O-])c1ccccn1	ZINC000833363819	612980532	/nfs/dbraw/zinc/98/05/32/612980532.db2.gz	AMPXVEANPIJSFM-LBPRGKRZSA-N	-1	0	262.265	0.363	20	30		CCEDRM
CSCC1(CC(=O)[N-]S(=O)(=O)CCC#N)CC1	ZINC000845561590	617231447	/nfs/dbraw/zinc/23/14/47/617231447.db2.gz	UYLSXYFRWQFYAB-UHFFFAOYSA-N	-1	0	276.383	0.879	20	30		CCEDRM
CSCCO[N-]C(=O)C(=O)NCC(C)(C)CC#N	ZINC000817848203	617237511	/nfs/dbraw/zinc/23/75/11/617237511.db2.gz	FNEIGYIFXJJPDM-UHFFFAOYSA-N	-1	0	273.358	0.453	20	30		CCEDRM
COc1ccc(CNC(=O)CN(CC#N)CC(=O)[O-])cc1	ZINC000832324065	617253277	/nfs/dbraw/zinc/25/32/77/617253277.db2.gz	SKSFMNYTUMVTDZ-UHFFFAOYSA-N	-1	0	291.307	0.222	20	30		CCEDRM
COc1ccc(OC)c(C(=O)[N-]S(=O)(=O)CCC#N)c1	ZINC000821584187	617274927	/nfs/dbraw/zinc/27/49/27/617274927.db2.gz	UFVRYQFWABLPTE-UHFFFAOYSA-N	-1	0	298.320	0.677	20	30		CCEDRM
CS[C@H](CO)[C@@H](C)NC(=O)[C@@](C)(C#N)CC(=O)[O-]	ZINC000820900421	617276714	/nfs/dbraw/zinc/27/67/14/617276714.db2.gz	VFLSNZHEUXLZOU-SOCHQFKDSA-N	-1	0	274.342	0.220	20	30		CCEDRM
COc1cccc(C(=O)N2CCN(C(=O)[O-])C[C@H]2C#N)n1	ZINC000829537109	617289538	/nfs/dbraw/zinc/28/95/38/617289538.db2.gz	FNMZCXGEEIOHOM-SECBINFHSA-N	-1	0	290.279	0.418	20	30		CCEDRM
C#CCOCCC(=O)N[C@]1(C(=O)[O-])CCSC1	ZINC000833364866	612981060	/nfs/dbraw/zinc/98/10/60/612981060.db2.gz	YLZBDGHMEWZZDX-LLVKDONJSA-N	-1	0	257.311	0.103	20	30		CCEDRM
C#CCCCNC(=O)N1CCC([C@@H](O)C(=O)[O-])CC1	ZINC000833362302	612981290	/nfs/dbraw/zinc/98/12/90/612981290.db2.gz	KUOHGFKADCZJQR-LLVKDONJSA-N	-1	0	268.313	0.267	20	30		CCEDRM
C#CCCCS(=O)(=O)[N-]c1ncncc1OC	ZINC000844832101	612985744	/nfs/dbraw/zinc/98/57/44/612985744.db2.gz	YWTOUACWCQQJLM-UHFFFAOYSA-N	-1	0	255.299	0.640	20	30		CCEDRM
C#CCOCCNC(=O)[C@H](CC(=O)[O-])CC(C)C	ZINC000899779803	612988597	/nfs/dbraw/zinc/98/85/97/612988597.db2.gz	COZQALOHHSJXIM-NSHDSACASA-N	-1	0	255.314	0.889	20	30		CCEDRM
C#CCOCCOC(=O)[C@]1(C)CCN(C(=O)[O-])C1	ZINC000823462993	612990879	/nfs/dbraw/zinc/99/08/79/612990879.db2.gz	ITMVTVZPGOPILX-GFCCVEGCSA-N	-1	0	255.270	0.569	20	30		CCEDRM
C#CCO[N-]C(=O)[C@@H](C)n1nnnc1C(C)(C)C	ZINC000812785773	612992373	/nfs/dbraw/zinc/99/23/73/612992373.db2.gz	JMYFWFQYZVMOGK-MRVPVSSYSA-N	-1	0	251.290	0.213	20	30		CCEDRM
C#CCO[N-]C(=O)[C@@]1(c2ccccc2)CNC(=O)C1	ZINC000855606645	612992802	/nfs/dbraw/zinc/99/28/02/612992802.db2.gz	MEWUREYOBMKWOR-CQSZACIVSA-N	-1	0	258.277	0.125	20	30		CCEDRM
C#CCO[N-]C(=O)[C@H]1CN(C(=O)OC(C)(C)C)CCN1C	ZINC000824483886	612992892	/nfs/dbraw/zinc/99/28/92/612992892.db2.gz	MSLSVMPURVKAIG-LLVKDONJSA-N	-1	0	297.355	0.219	20	30		CCEDRM
C#CCO[C@H](C)C(=O)N[C@](C)(CC(=O)[O-])C1CC1	ZINC000910320462	613003737	/nfs/dbraw/zinc/00/37/37/613003737.db2.gz	ZEZSYESTVMJOKA-NOZJJQNGSA-N	-1	0	253.298	0.784	20	30		CCEDRM
C#CCOc1ccc(C(=O)[N-]S(=O)(=O)CC#CC)cc1	ZINC000791110814	613005427	/nfs/dbraw/zinc/00/54/27/613005427.db2.gz	XOEDOYUADUXFTP-UHFFFAOYSA-N	-1	0	291.328	0.782	20	30		CCEDRM
C#CCSCC(=O)N1CCC[C@@H](c2nnn[n-]2)C1	ZINC000897161266	613009569	/nfs/dbraw/zinc/00/95/69/613009569.db2.gz	CEJGNZHMASGAGD-SECBINFHSA-N	-1	0	265.342	0.272	20	30		CCEDRM
C#CC[C@@H](CO)NC(=O)c1ccc([N+](=O)[O-])c([O-])c1	ZINC000816670431	613029219	/nfs/dbraw/zinc/02/92/19/613029219.db2.gz	VPAQNKFFIXJIOB-VIFPVBQESA-N	-1	0	264.237	0.414	20	30		CCEDRM
C#CC[C@@H](COC)[N-]S(=O)(=O)c1ncccc1[N+](=O)[O-]	ZINC000859429711	613038581	/nfs/dbraw/zinc/03/85/81/613038581.db2.gz	ZZZNNCDMQVTQDB-VIFPVBQESA-N	-1	0	299.308	0.306	20	30		CCEDRM
C#CC[C@@H](NC(=O)C(=O)NCCC(=O)[O-])c1ccccc1	ZINC000817111350	613039214	/nfs/dbraw/zinc/03/92/14/613039214.db2.gz	ZZLVRASKNIIIEP-GFCCVEGCSA-N	-1	0	288.303	0.458	20	30		CCEDRM
C#CC[C@@H](NC(=O)CCCc1ccccn1)C(=O)[O-]	ZINC000910051771	613039685	/nfs/dbraw/zinc/03/96/85/613039685.db2.gz	GVWMXWUTISHYIQ-GFCCVEGCSA-N	-1	0	260.293	0.997	20	30		CCEDRM
C#CC[C@@H](NC(=O)CCc1csc(C)n1)C(=O)[O-]	ZINC000910050130	613039854	/nfs/dbraw/zinc/03/98/54/613039854.db2.gz	FTUXEBMHRBHAPC-SNVBAGLBSA-N	-1	0	266.322	0.977	20	30		CCEDRM
C#CC[C@@H](NC(=O)[C@@H](NCC(F)(F)F)C(C)C)C(=O)[O-]	ZINC000910050344	613040544	/nfs/dbraw/zinc/04/05/44/613040544.db2.gz	IHUCHBIZKFLWQO-BDAKNGLRSA-N	-1	0	294.273	0.756	20	30		CCEDRM
C#CC[C@@H](NC(=O)[C@H]1CCCCN1C(=O)CCC)C(=O)[O-]	ZINC000910052736	613041242	/nfs/dbraw/zinc/04/12/42/613041242.db2.gz	HQJJEZIIELMSHB-VXGBXAGGSA-N	-1	0	294.351	0.760	20	30		CCEDRM
C#CC[C@@H](NC(=O)c1cc(CO)c(C)o1)C(=O)[O-]	ZINC000910049930	613041858	/nfs/dbraw/zinc/04/18/58/613041858.db2.gz	AMRXGGPGEGLUOE-SECBINFHSA-N	-1	0	251.238	0.287	20	30		CCEDRM
C#CC[C@@H](NC(=O)c1cncnc1C(C)C)C(=O)[O-]	ZINC000910054567	613042204	/nfs/dbraw/zinc/04/22/04/613042204.db2.gz	QEHSALKWRWSMFF-SNVBAGLBSA-N	-1	0	261.281	0.806	20	30		CCEDRM
C#CC[C@@H](NC(=O)c1cnc2n1[C@H](C)CCC2)C(=O)[O-]	ZINC000910045401	613042251	/nfs/dbraw/zinc/04/22/51/613042251.db2.gz	CMKAGHHZJOPQGX-NXEZZACHSA-N	-1	0	275.308	0.987	20	30		CCEDRM
C#CC[C@@H]1CCCN(S(=O)(=O)c2ncc[n-]2)C1	ZINC000867448972	613045156	/nfs/dbraw/zinc/04/51/56/613045156.db2.gz	SYQUPVMZYLMKSE-SNVBAGLBSA-N	-1	0	253.327	0.834	20	30		CCEDRM
C#CCCOc1ccc(C=Nn2c(=O)[n-][nH]c2=O)cc1	ZINC000814233619	613051226	/nfs/dbraw/zinc/05/12/26/613051226.db2.gz	YZBSKRLTODVKDX-UHFFFAOYSA-N	-1	0	272.264	0.974	20	30		CCEDRM
C#CCCS(=O)(=O)[N-]C(=O)Cn1ccc(C(F)F)n1	ZINC000860721246	613053039	/nfs/dbraw/zinc/05/30/39/613053039.db2.gz	BBPOQVUQXNHNAH-UHFFFAOYSA-N	-1	0	291.279	0.290	20	30		CCEDRM
C#CCCS(=O)(=O)[N-]C(=O)C[C@H](C)n1cccn1	ZINC000820894960	613053065	/nfs/dbraw/zinc/05/30/65/613053065.db2.gz	HLFDRUHJUHTTSE-JTQLQIEISA-N	-1	0	269.326	0.304	20	30		CCEDRM
C#CCCS(=O)(=O)[N-]C(=O)[C@H]1CCCc2nn(C)cc21	ZINC000810781714	613053329	/nfs/dbraw/zinc/05/33/29/613053329.db2.gz	AYUFLZVGBJVDRT-JTQLQIEISA-N	-1	0	295.364	0.309	20	30		CCEDRM
C#CCCS(=O)(=O)[N-]C(=O)c1cccc(OC(C)C)n1	ZINC000810785405	613053628	/nfs/dbraw/zinc/05/36/28/613053628.db2.gz	GSPFFIXTNWDIOS-UHFFFAOYSA-N	-1	0	296.348	0.952	20	30		CCEDRM
C#CCCS(=O)(=O)[N-]C(=O)c1cn(C)nc1C(C)(C)C	ZINC000798203133	613053724	/nfs/dbraw/zinc/05/37/24/613053724.db2.gz	TXHXZOBVACPIKO-UHFFFAOYSA-N	-1	0	297.380	0.801	20	30		CCEDRM
C#CCCS(=O)(=O)[N-]C(=O)c1cnccc1C	ZINC000810781929	613053757	/nfs/dbraw/zinc/05/37/57/613053757.db2.gz	INPOTKLKWSJAAJ-UHFFFAOYSA-N	-1	0	252.295	0.473	20	30		CCEDRM
C#CCCS(=O)(=O)[N-]C(=O)c1cnc(CC)s1	ZINC000810783869	613053867	/nfs/dbraw/zinc/05/38/67/613053867.db2.gz	IHDOMTSXLSWOEQ-UHFFFAOYSA-N	-1	0	272.351	0.788	20	30		CCEDRM
C#CCCS(=O)(=O)[N-]C(=O)c1ncn(C(C)(C)C)n1	ZINC000813094147	613053938	/nfs/dbraw/zinc/05/39/38/613053938.db2.gz	INOLKPTVRSJWCY-UHFFFAOYSA-N	-1	0	284.341	0.116	20	30		CCEDRM
C#CCCS(=O)(=O)[N-]C(=O)c1ncccc1OCCC	ZINC000810784804	613053960	/nfs/dbraw/zinc/05/39/60/613053960.db2.gz	OTGHJGOPQQVBEY-UHFFFAOYSA-N	-1	0	296.348	0.953	20	30		CCEDRM
C#CCC[C@@H](O)CNC(=O)Cc1cc(=O)n(CC(C)C)[n-]1	ZINC000935812290	613056114	/nfs/dbraw/zinc/05/61/14/613056114.db2.gz	CFPWWAYEJAIFSJ-CYBMUJFWSA-N	-1	0	293.367	0.265	20	30		CCEDRM
C#CC[C@H](CO)NS(=O)(=O)c1ccccc1[O-]	ZINC000882339596	613059234	/nfs/dbraw/zinc/05/92/34/613059234.db2.gz	JECHURGHQHSDNU-SECBINFHSA-N	-1	0	255.295	0.055	20	30		CCEDRM
C#CC[C@H](NC(=O)Cc1csc(CC)n1)C(=O)[O-]	ZINC000910052006	613068230	/nfs/dbraw/zinc/06/82/30/613068230.db2.gz	KYRUZSOCTGVZKR-VIFPVBQESA-N	-1	0	266.322	0.841	20	30		CCEDRM
C#CC[C@H](NC(=O)[C@@H]1COc2cc(F)ccc2C1)C(=O)[O-]	ZINC000910048347	613068919	/nfs/dbraw/zinc/06/89/19/613068919.db2.gz	JHBZWIDGPXOLMP-JQWIXIFHSA-N	-1	0	291.278	0.970	20	30		CCEDRM
C#CC[C@H](NC(=O)[C@H](C)OC[C@H]1CCCO1)C(=O)[O-]	ZINC000910052626	613069140	/nfs/dbraw/zinc/06/91/40/613069140.db2.gz	DBGLONKCHPJCPP-AXFHLTTASA-N	-1	0	269.297	0.163	20	30		CCEDRM
C#CC[C@H](NC(=O)[C@]12C[C@H]1COC21CCC1)C(=O)[O-]	ZINC000907719453	613069814	/nfs/dbraw/zinc/06/98/14/613069814.db2.gz	OMGWKSCAICQNAZ-BHDSKKPTSA-N	-1	0	263.293	0.538	20	30		CCEDRM
C#CC[C@H](NC(=O)c1cnc(NC)s1)C(=O)[O-]	ZINC000910049598	613070676	/nfs/dbraw/zinc/07/06/76/613070676.db2.gz	YKQJYTPLYWESFP-LURJTMIESA-N	-1	0	253.283	0.391	20	30		CCEDRM
C#CC[C@H](NC(=O)c1n[nH]c2c1C[C@@H](C)CC2)C(=O)[O-]	ZINC000910048352	613070745	/nfs/dbraw/zinc/07/07/45/613070745.db2.gz	JHUJNCSGIGMJGO-KWQFWETISA-N	-1	0	275.308	0.741	20	30		CCEDRM
C#CCn1cc(CNC(=O)C2(C(=O)[O-])CCCC2)cn1	ZINC000911716652	613076542	/nfs/dbraw/zinc/07/65/42/613076542.db2.gz	LFFZZUNNIJZCCC-UHFFFAOYSA-N	-1	0	275.308	0.778	20	30		CCEDRM
C#CCn1cc(CNC(=O)C[C@H](C)CC(=O)[O-])cn1	ZINC000911715813	613076863	/nfs/dbraw/zinc/07/68/63/613076863.db2.gz	CFTMNOIIOXLFND-JTQLQIEISA-N	-1	0	263.297	0.633	20	30		CCEDRM
C#CCN(C/C=C(\C)C(=O)[O-])[C@@H]1CCS(=O)(=O)C1	ZINC000825614304	613097795	/nfs/dbraw/zinc/09/77/95/613097795.db2.gz	LIUPPKZZSIFFGZ-LLMHMKPQSA-N	-1	0	271.338	0.140	20	30		CCEDRM
C#C[C@@H](NC(=O)c1cc(C(=O)[O-])nn1C)[C@H]1CCCO1	ZINC000911581545	613098804	/nfs/dbraw/zinc/09/88/04/613098804.db2.gz	YXRQGHYATAFLRC-LDYMZIIASA-N	-1	0	277.280	0.029	20	30		CCEDRM
C#CCN(CC#C)C(=O)c1ccc(OCC(=O)[O-])cc1	ZINC000825608589	613098800	/nfs/dbraw/zinc/09/88/00/613098800.db2.gz	DQNFWZKGXZVARC-UHFFFAOYSA-N	-1	0	271.272	0.859	20	30		CCEDRM
C#CCN(CC#CC)C(=O)COCc1ocnc1C(=O)[O-]	ZINC000908808532	613099466	/nfs/dbraw/zinc/09/94/66/613099466.db2.gz	BDNQHAUUUMVQKX-UHFFFAOYSA-N	-1	0	290.275	0.375	20	30		CCEDRM
C#CCN(CC#CC)C(=O)NC[C@@H]1CCCN1C(=O)[O-]	ZINC000823451403	613099803	/nfs/dbraw/zinc/09/98/03/613099803.db2.gz	UCQMAJWGYKYRPP-LBPRGKRZSA-N	-1	0	277.324	0.797	20	30		CCEDRM
C#CCN(CC#N)C(=O)Cc1cc(=O)n(CC(C)C)[n-]1	ZINC000935813347	613100752	/nfs/dbraw/zinc/10/07/52/613100752.db2.gz	ZHHLWJRRLDBDHP-UHFFFAOYSA-N	-1	0	274.324	0.360	20	30		CCEDRM
C#CCN(CC(=O)[O-])S(=O)(=O)CCCC(C)(F)F	ZINC000903856027	613103602	/nfs/dbraw/zinc/10/36/02/613103602.db2.gz	MIGWGOKCDSMKGO-UHFFFAOYSA-N	-1	0	283.296	0.771	20	30		CCEDRM
C#CCN(CC(=O)[O-])S(=O)(=O)c1ccnn1C1CCC1	ZINC000926488277	613103952	/nfs/dbraw/zinc/10/39/52/613103952.db2.gz	YLJVYKJEIWCNFU-UHFFFAOYSA-N	-1	0	297.336	0.317	20	30		CCEDRM
C#CCN(Cc1ccccc1)C(=O)NCC(=O)[N-]OC	ZINC000927213534	613108903	/nfs/dbraw/zinc/10/89/03/613108903.db2.gz	BHORMVJEQFAJAD-UHFFFAOYSA-N	-1	0	275.308	0.509	20	30		CCEDRM
C#C[C@H](NC(=O)C1(C(=O)[O-])CCOCC1)[C@H]1CCCO1	ZINC000911577160	613132216	/nfs/dbraw/zinc/13/22/16/613132216.db2.gz	BDDGVRPHXXBAKB-WDEREUQCSA-N	-1	0	281.308	0.165	20	30		CCEDRM
C#C[C@H](NC(=O)Cn1[n-]cc2c(=O)ncnc1-2)C(C)(C)C	ZINC000807880280	613134145	/nfs/dbraw/zinc/13/41/45/613134145.db2.gz	UQCAMKMDOMMGEU-JTQLQIEISA-N	-1	0	287.323	0.235	20	30		CCEDRM
C#C[C@H](NC(=O)c1ccc(C(=O)[O-])cn1)[C@@H]1CCCO1	ZINC000911580619	613148660	/nfs/dbraw/zinc/14/86/60/613148660.db2.gz	SPFXFXBXBWNWOK-JQWIXIFHSA-N	-1	0	274.276	0.690	20	30		CCEDRM
C#C[C@H]([N-]S(=O)(=O)N=[S@@](C)(=O)CC)[C@H]1CCCO1	ZINC000867124521	613151988	/nfs/dbraw/zinc/15/19/88/613151988.db2.gz	CJBMKWPNKWUFPT-GBNMTWHSSA-N	-1	0	294.398	0.119	20	30		CCEDRM
C#Cc1ccc(C(=O)N2CC[C@@](F)(C(=O)[O-])C2)nc1	ZINC000825636080	613173524	/nfs/dbraw/zinc/17/35/24/613173524.db2.gz	BFZUNIKJQNGXGB-ZDUSSCGKSA-N	-1	0	262.240	0.702	20	30		CCEDRM
C#Cc1ccc(C(=O)N[C@@](C)(COC)C(=O)[O-])cn1	ZINC000825636053	613187972	/nfs/dbraw/zinc/18/79/72/613187972.db2.gz	AMKLFSFQODAKGB-ZDUSSCGKSA-N	-1	0	262.265	0.282	20	30		CCEDRM
C#CCN1CCC[C@H]1C(=O)NCC1(C(=O)[O-])CCOCC1	ZINC000833364474	613198739	/nfs/dbraw/zinc/19/87/39/613198739.db2.gz	NSLDMYGYALFBFN-LBPRGKRZSA-N	-1	0	294.351	0.082	20	30		CCEDRM
C#CCN1CCN(C(=O)/C=C\c2cc(C(=O)[O-])co2)CC1	ZINC000911150148	613204479	/nfs/dbraw/zinc/20/44/79/613204479.db2.gz	FFMWTIDZRCBZRD-ARJAWSKDSA-N	-1	0	288.303	0.768	20	30		CCEDRM
C#Cc1cncc(C(=O)N[C@H](CCOC)C(=O)[O-])c1	ZINC000909628033	613221286	/nfs/dbraw/zinc/22/12/86/613221286.db2.gz	YDQGCBVZRQJOPV-LLVKDONJSA-N	-1	0	262.265	0.282	20	30		CCEDRM
C#CCNC(=O)COC(=O)[C@@H]1CCC[C@@H](NC(=O)[O-])C1	ZINC000823455219	613332048	/nfs/dbraw/zinc/33/20/48/613332048.db2.gz	AXWOVMVJECTILQ-NXEZZACHSA-N	-1	0	282.296	0.105	20	30		CCEDRM
C=C(C)COCCNC(=O)C12CC(C(=O)[O-])(C1)C2	ZINC000909560094	613351889	/nfs/dbraw/zinc/35/18/89/613351889.db2.gz	RSBSOVAZNBGMFQ-UHFFFAOYSA-N	-1	0	253.298	0.950	20	30		CCEDRM
C=C(C)CO[N-]C(=O)C(=O)Nc1cn(C)nc1CC	ZINC000846147892	613352379	/nfs/dbraw/zinc/35/23/79/613352379.db2.gz	WYSABXKOXWLADX-UHFFFAOYSA-N	-1	0	266.301	0.545	20	30		CCEDRM
C=C(C)CO[N-]C(=O)C(=O)Nc1cnc(CC2CC2)nc1	ZINC000846147227	613352411	/nfs/dbraw/zinc/35/24/11/613352411.db2.gz	OKWUODQFXIRQIH-UHFFFAOYSA-N	-1	0	290.323	0.992	20	30		CCEDRM
C=C(C)CO[N-]C(=O)C(=O)Nc1ccnc(OC)c1	ZINC000846145600	613352416	/nfs/dbraw/zinc/35/24/16/613352416.db2.gz	AECJHFUNXCULQV-UHFFFAOYSA-N	-1	0	265.269	0.653	20	30		CCEDRM
C=C(C)CO[N-]C(=O)C(=O)Nc1cncnc1OC	ZINC000846147631	613352421	/nfs/dbraw/zinc/35/24/21/613352421.db2.gz	ZFAVFSSUJHLISG-UHFFFAOYSA-N	-1	0	266.257	0.048	20	30		CCEDRM
C=C(C)CS(=O)(=O)N1[C@@H](C(=O)[O-])C[C@@H]2OCC[C@@H]21	ZINC000926595645	613354143	/nfs/dbraw/zinc/35/41/43/613354143.db2.gz	JWTZGCJYYSWQRE-AEJSXWLSSA-N	-1	0	275.326	0.209	20	30		CCEDRM
C=C(C)C[C@@H](NC(=O)NCc1nccn1C)C(=O)[O-]	ZINC000908936026	613355884	/nfs/dbraw/zinc/35/58/84/613355884.db2.gz	DSBFWOXLEBNAPQ-SECBINFHSA-N	-1	0	266.301	0.639	20	30		CCEDRM
C=C(C)C[C@@H](NC(=O)c1cnc(N(C)C)cn1)C(=O)[O-]	ZINC000910293762	613356222	/nfs/dbraw/zinc/35/62/22/613356222.db2.gz	LZFDIAPAKUHKOL-SECBINFHSA-N	-1	0	278.312	0.692	20	30		CCEDRM
C=C(C)C[C@H](CO)NS(=O)(=O)c1cnc(OC)s1	ZINC000919808663	613358596	/nfs/dbraw/zinc/35/85/96/613358596.db2.gz	UJMCKWBMVWHABO-MRVPVSSYSA-N	-1	0	292.382	0.757	20	30		CCEDRM
C=C(C)C[C@H](NC(=O)[C@H]1CSCN1C(C)=O)C(=O)[O-]	ZINC000864187413	613359097	/nfs/dbraw/zinc/35/90/97/613359097.db2.gz	KNALXBQOIZYWIU-VHSXEESVSA-N	-1	0	286.353	0.443	20	30		CCEDRM
C=C(C)C[C@H](NC(=O)c1cnc2n1CCOC2)C(=O)[O-]	ZINC000910292323	613359185	/nfs/dbraw/zinc/35/91/85/613359185.db2.gz	OTELMSIOIVPKKQ-VIFPVBQESA-N	-1	0	279.296	0.563	20	30		CCEDRM
C=C(C)C[C@H](NC(=O)c1cc2n(n1)CCCO2)C(=O)[O-]	ZINC000910293194	613359222	/nfs/dbraw/zinc/35/92/22/613359222.db2.gz	VPNLSDWOHXWMTD-JTQLQIEISA-N	-1	0	279.296	0.815	20	30		CCEDRM
C=C(C)[C@@H]1OCC[C@@H]1C(=O)NCC1(C(=O)[O-])CCOCC1	ZINC000901703475	613361331	/nfs/dbraw/zinc/36/13/31/613361331.db2.gz	UUBPUPUUNAYNPA-RYUDHWBXSA-N	-1	0	297.351	0.965	20	30		CCEDRM
C=C(C)[C@@H]1OCC[C@@H]1C(=O)NCCc1nc(=O)o[n-]1	ZINC000907828085	613361407	/nfs/dbraw/zinc/36/14/07/613361407.db2.gz	RQDFLWFWEAFPEK-WPRPVWTQSA-N	-1	0	267.285	0.003	20	30		CCEDRM
C=C(C)[C@H](CC(=O)N(CCOC)CC(=O)[O-])OCC	ZINC000908849538	613362184	/nfs/dbraw/zinc/36/21/84/613362184.db2.gz	OTXYBAICGRACCX-NSHDSACASA-N	-1	0	273.329	0.917	20	30		CCEDRM
C=C(C)[C@H](CC(=O)N1CCO[C@H](C(=O)[O-])C1)OCC	ZINC000819706359	613362272	/nfs/dbraw/zinc/36/22/72/613362272.db2.gz	YOSAUWNBGWNZKE-QWRGUYRKSA-N	-1	0	271.313	0.670	20	30		CCEDRM
C=C(Cl)C[C@@H](NC(=O)CCn1ccnc1)C(=O)[O-]	ZINC000910272830	613388426	/nfs/dbraw/zinc/38/84/26/613388426.db2.gz	WUYVYQMCDSLXBF-SECBINFHSA-N	-1	0	271.704	0.985	20	30		CCEDRM
C=C(Cl)C[C@@H](NC(=O)CS(=O)(=O)C(C)C)C(=O)[O-]	ZINC000864185639	613388511	/nfs/dbraw/zinc/38/85/11/613388511.db2.gz	YFGAFQXONHFUEM-MRVPVSSYSA-N	-1	0	297.760	0.522	20	30		CCEDRM
C=C(Cl)C[C@@H](NC(=O)NC[C@@H]1COCCO1)C(=O)[O-]	ZINC000864526878	613388615	/nfs/dbraw/zinc/38/86/15/613388615.db2.gz	RNMFUFUSRFUINM-RKDXNWHRSA-N	-1	0	292.719	0.297	20	30		CCEDRM
C=C(Cl)C[C@@H](NC(=O)[C@@H](C)n1cncn1)C(=O)[O-]	ZINC000864183724	613388634	/nfs/dbraw/zinc/38/86/34/613388634.db2.gz	HWGQWHDEVGOXIV-HTQZYQBOSA-N	-1	0	272.692	0.551	20	30		CCEDRM
C=C(Cl)C[C@@H](NC(=O)c1cn(C2CC2)nn1)C(=O)[O-]	ZINC000864185993	613388662	/nfs/dbraw/zinc/38/86/62/613388662.db2.gz	GXWKOWYOYVSNBY-MRVPVSSYSA-N	-1	0	284.703	0.939	20	30		CCEDRM
C=C(Cl)C[C@@H](NC(=O)c1cccn(C)c1=O)C(=O)[O-]	ZINC000864186085	613388716	/nfs/dbraw/zinc/38/87/16/613388716.db2.gz	IQHTVXKGFIJSLG-SECBINFHSA-N	-1	0	284.699	0.711	20	30		CCEDRM
C=C(Cl)C[C@H](NC(=O)N[C@@H]1CCOC1)C(=O)[O-]	ZINC000864525548	613390648	/nfs/dbraw/zinc/39/06/48/613390648.db2.gz	DPWKCYXJCALAPU-SFYZADRCSA-N	-1	0	262.693	0.670	20	30		CCEDRM
C=CC[C@@H](CO)CNC(=O)[C@@H]1CC[C@H](CCC(=O)[O-])O1	ZINC000911651003	613402199	/nfs/dbraw/zinc/40/21/99/613402199.db2.gz	JUQJRODQZDGEGG-UTUOFQBUSA-N	-1	0	285.340	0.700	20	30		CCEDRM
C=CC[C@@H](CO)CNC(=O)c1cc(C(=O)[O-])ccn1	ZINC000911651579	613402600	/nfs/dbraw/zinc/40/26/00/613402600.db2.gz	RQPMBZVVCAKMJN-SECBINFHSA-N	-1	0	264.281	0.694	20	30		CCEDRM
C=C1CCC(C(=O)N2CCC[C@H]2C(=O)NCC(=O)[O-])CC1	ZINC000910756940	613405157	/nfs/dbraw/zinc/40/51/57/613405157.db2.gz	ZXJADLBJSIAJOP-LBPRGKRZSA-N	-1	0	294.351	0.925	20	30		CCEDRM
C=C1CCC(C(=O)N2CCOC[C@H]2c2nnn[n-]2)CC1	ZINC000913493829	613405576	/nfs/dbraw/zinc/40/55/76/613405576.db2.gz	JTQFKYLHOZQOAI-NSHDSACASA-N	-1	0	277.328	0.846	20	30		CCEDRM
C=CC[C@H](CO)CNC(=O)[C@H](NC(=O)[O-])C(C)C	ZINC000833371801	613415691	/nfs/dbraw/zinc/41/56/91/613415691.db2.gz	WOZHEHNXPHEGSR-VHSXEESVSA-N	-1	0	258.318	0.579	20	30		CCEDRM
C=C1C[C@H]2CC[C@@H](C1)N2C(=O)NCC(=O)[N-]OC	ZINC000927214562	613417381	/nfs/dbraw/zinc/41/73/81/613417381.db2.gz	AKKBONYTNQRCBQ-AOOOYVTPSA-N	-1	0	253.302	0.557	20	30		CCEDRM
C=CC[C@H](NS(=O)(=O)CC[C@@H]1CCOC1)C(=O)[O-]	ZINC000830081399	613419603	/nfs/dbraw/zinc/41/96/03/613419603.db2.gz	OROMAGIEFGPZQY-UWVGGRQHSA-N	-1	0	277.342	0.362	20	30		CCEDRM
C=CCn1cc(C(=O)N(CC(=O)[O-])CC(C)C)nn1	ZINC000844154866	613425047	/nfs/dbraw/zinc/42/50/47/613425047.db2.gz	GOHMCLUUCYFJBG-UHFFFAOYSA-N	-1	0	266.301	0.647	20	30		CCEDRM
C=CCn1cc(C(=O)[N-]S(=O)(=O)CC(C)(C)C#N)nn1	ZINC000842751909	613429275	/nfs/dbraw/zinc/42/92/75/613429275.db2.gz	BVHYGNJXPYOUBZ-UHFFFAOYSA-N	-1	0	297.340	0.073	20	30		CCEDRM
C=CCn1cc(C(=O)[N-]S(=O)(=O)[C@H](C)CC)nn1	ZINC000842756565	613429543	/nfs/dbraw/zinc/42/95/43/613429543.db2.gz	NVNDCPWSBVGZFV-MRVPVSSYSA-N	-1	0	272.330	0.322	20	30		CCEDRM
C=CCn1cc(CNC(=O)[C@@H](C)CC(=O)[O-])nn1	ZINC000909851696	613435212	/nfs/dbraw/zinc/43/52/12/613435212.db2.gz	YUWXAUSUEABWKJ-QMMMGPOBSA-N	-1	0	252.274	0.191	20	30		CCEDRM
C=CCn1cc(CNC(=O)[C@H]2C[C@]2(C(=O)[O-])C(C)C)nn1	ZINC000899789873	613435380	/nfs/dbraw/zinc/43/53/80/613435380.db2.gz	YTEYJIRCIJBUEY-RISCZKNCSA-N	-1	0	292.339	0.827	20	30		CCEDRM
C=C[C@@H](C)NS(=O)(=O)c1ccc(-c2nn[nH]n2)cc1	ZINC000819729038	613442553	/nfs/dbraw/zinc/44/25/53/613442553.db2.gz	ASKIKPPQDZNZEV-MRVPVSSYSA-N	-1	0	279.325	0.720	20	30		CCEDRM
C=C[C@@H](C)O[N-]C(=O)Cn1c(C)cc(C)nc1=O	ZINC000846548485	613443688	/nfs/dbraw/zinc/44/36/88/613443688.db2.gz	KBHUHHXDUKMFCH-SNVBAGLBSA-N	-1	0	251.286	0.482	20	30		CCEDRM
C=C[C@@H](C)O[N-]C(=O)Cn1cc([N+](=O)[O-])nc1C	ZINC000846551078	613444086	/nfs/dbraw/zinc/44/40/86/613444086.db2.gz	QVFDXXXCCGRPCO-SSDOTTSWSA-N	-1	0	254.246	0.722	20	30		CCEDRM
C=CC1(S(=O)(=O)[N-]C(=O)CCc2ccncn2)CC1	ZINC000870836895	613450446	/nfs/dbraw/zinc/45/04/46/613450446.db2.gz	QHMDEWCTCPFKDS-UHFFFAOYSA-N	-1	0	281.337	0.574	20	30		CCEDRM
C=CC1(S(=O)(=O)[N-]C(=O)Cc2ccn(C)n2)CC1	ZINC000870835978	613450790	/nfs/dbraw/zinc/45/07/90/613450790.db2.gz	VNSRVPLDRQCBTJ-UHFFFAOYSA-N	-1	0	269.326	0.127	20	30		CCEDRM
C=CC1(S(=O)(=O)[N-]C(=O)Cc2cnc(C)o2)CC1	ZINC000893305172	613450861	/nfs/dbraw/zinc/45/08/61/613450861.db2.gz	MLUPMIGRAIIAKQ-UHFFFAOYSA-N	-1	0	270.310	0.690	20	30		CCEDRM
C=CC1(S(=O)(=O)[N-]C(=O)C[C@@H]2CCCC(=O)N2)CC1	ZINC000870837792	613450875	/nfs/dbraw/zinc/45/08/75/613450875.db2.gz	BPZUOQOWZHYSFQ-VIFPVBQESA-N	-1	0	286.353	0.210	20	30		CCEDRM
C=CC1(S(=O)(=O)[N-]C(=O)[C@@H]2CCO[C@@H](C)C2)CC1	ZINC000870835999	613451255	/nfs/dbraw/zinc/45/12/55/613451255.db2.gz	WKVSLJUHVJVQIO-VHSXEESVSA-N	-1	0	273.354	0.966	20	30		CCEDRM
C=CC1(S(=O)(=O)[N-]C(=O)c2cn(C)nc2Cl)CC1	ZINC000870838106	613452181	/nfs/dbraw/zinc/45/21/81/613452181.db2.gz	LTBZFKYUDWUKPH-UHFFFAOYSA-N	-1	0	289.744	0.852	20	30		CCEDRM
C=CC1(S(=O)(=O)[N-]C(=O)c2cnc(C)nc2C)CC1	ZINC000870835219	613452227	/nfs/dbraw/zinc/45/22/27/613452227.db2.gz	HGVFNHRZOXCTIF-UHFFFAOYSA-N	-1	0	281.337	0.872	20	30		CCEDRM
C=CC1(S(=O)(=O)[N-]C(=O)c2nn(C)cc2C)CC1	ZINC000870837224	613452287	/nfs/dbraw/zinc/45/22/87/613452287.db2.gz	DFXXCVVHCLINRF-UHFFFAOYSA-N	-1	0	269.326	0.507	20	30		CCEDRM
C=C[C@@H](O)C(=O)N[C@H](C)c1nc(C)c(C(=O)[O-])s1	ZINC000909502816	613452641	/nfs/dbraw/zinc/45/26/41/613452641.db2.gz	GGVCZSNFWIHGLC-RNFRBKRXSA-N	-1	0	270.310	0.874	20	30		CCEDRM
C=CCC(F)(F)C(=O)NCc1nc([O-])cc(=O)[nH]1	ZINC000898754470	613454954	/nfs/dbraw/zinc/45/49/54/613454954.db2.gz	IHMJSUXJDFMTTC-UHFFFAOYSA-N	-1	0	259.212	0.715	20	30		CCEDRM
C=CCC1(O)CCN(C(=O)c2cc(=O)n(C)[n-]2)CC1	ZINC000899592554	613459410	/nfs/dbraw/zinc/45/94/10/613459410.db2.gz	PVJSXASWIAEMJK-UHFFFAOYSA-N	-1	0	265.313	0.669	20	30		CCEDRM
C=CCC1(S(=O)(=O)[N-]C(=O)CCOCC)CC1	ZINC000810982846	613460752	/nfs/dbraw/zinc/46/07/52/613460752.db2.gz	ZUWFYTRICAGHMF-UHFFFAOYSA-N	-1	0	261.343	0.968	20	30		CCEDRM
C=CCC1(S(=O)(=O)[N-]C(=O)/C=C\COC)CC1	ZINC000870369803	613460886	/nfs/dbraw/zinc/46/08/86/613460886.db2.gz	OUTJRVFSIGFPOY-PLNGDYQASA-N	-1	0	259.327	0.744	20	30		CCEDRM
C=CCC1(S(=O)(=O)[N-]C(=O)c2cnn(C)c2OC)CC1	ZINC000842360955	613461413	/nfs/dbraw/zinc/46/14/13/613461413.db2.gz	FOOMGMQXZMDXTR-UHFFFAOYSA-N	-1	0	299.352	0.597	20	30		CCEDRM
C=CCC1(S(=O)(=O)[N-]C(=O)c2cn(C3CC3)nn2)CC1	ZINC000860773304	613461438	/nfs/dbraw/zinc/46/14/38/613461438.db2.gz	JUECCEQMFDLPMX-UHFFFAOYSA-N	-1	0	296.352	0.781	20	30		CCEDRM
C=CCCC(=O)N1CCN(c2ccc(C(=O)[O-])nn2)CC1	ZINC000833373225	613462682	/nfs/dbraw/zinc/46/26/82/613462682.db2.gz	IHGNDYYYQAYWLM-UHFFFAOYSA-N	-1	0	290.323	0.790	20	30		CCEDRM
C=CCCC(=O)[C@H]1CCCN1C(=O)CCc1nnn[n-]1	ZINC000908669476	613463403	/nfs/dbraw/zinc/46/34/03/613463403.db2.gz	QMDDSKVXJSHUPX-SNVBAGLBSA-N	-1	0	277.328	0.659	20	30		CCEDRM
C=C[C@@H]1OCC[C@H]1CNC(=O)N1CCC[C@@H]1C(=O)[O-]	ZINC000909240232	613469022	/nfs/dbraw/zinc/46/90/22/613469022.db2.gz	ZJVVLYCCPJVRAQ-AXFHLTTASA-N	-1	0	268.313	0.836	20	30		CCEDRM
C=CCCC[C@@H](NC(=O)C1(C(=O)NC)CC1)C(=O)[O-]	ZINC000910913916	613470139	/nfs/dbraw/zinc/47/01/39/613470139.db2.gz	GBBMRFVVHDNZCF-SECBINFHSA-N	-1	0	268.313	0.438	20	30		CCEDRM
C=CCCC[C@@H](NC(=O)NC[C@H]1COCCO1)C(=O)[O-]	ZINC000905534095	613470468	/nfs/dbraw/zinc/47/04/68/613470468.db2.gz	HIZMEFUMSLTCDK-WDEREUQCSA-N	-1	0	286.328	0.511	20	30		CCEDRM
C=CCCC[C@@H](NC(=O)COCc1ccnn1C)C(=O)[O-]	ZINC000910921621	613470695	/nfs/dbraw/zinc/47/06/95/613470695.db2.gz	DCFGAZLTWCERBJ-GFCCVEGCSA-N	-1	0	295.339	0.862	20	30		CCEDRM
C=CCCC[C@@H](NC(=O)c1cc(=O)n(C)[n-]1)C(=O)OC	ZINC000928321232	613471519	/nfs/dbraw/zinc/47/15/19/613471519.db2.gz	ZRNLPHGOCMXOTJ-SECBINFHSA-N	-1	0	281.312	0.753	20	30		CCEDRM
C=C[C@@](C)(O)C(=O)[N-]OC[C@@H](C)NC(=O)OC(C)(C)C	ZINC000857165743	613479154	/nfs/dbraw/zinc/47/91/54/613479154.db2.gz	AFXHMZNLPQNDOR-NOZJJQNGSA-N	-1	0	288.344	0.884	20	30		CCEDRM
C=C[C@H](C)O[N-]C(=O)[C@H]1COCCN1CC(F)F	ZINC000846550393	613488263	/nfs/dbraw/zinc/48/82/63/613488263.db2.gz	RQLJZRIMZVZGLS-DTWKUNHWSA-N	-1	0	264.272	0.575	20	30		CCEDRM
C=C[C@H](C)O[N-]C(=O)[C@H](CC(N)=O)NC(=O)CC(C)C	ZINC000846553092	613488328	/nfs/dbraw/zinc/48/83/28/613488328.db2.gz	XOPFRCAIGYGRAJ-UWVGGRQHSA-N	-1	0	285.344	0.015	20	30		CCEDRM
C=C[C@H](CC)CC(=O)N1CCO[C@@H](c2nnn[n-]2)C1	ZINC000932281852	613489191	/nfs/dbraw/zinc/48/91/91/613489191.db2.gz	CRMCSMFKXXTNNF-NXEZZACHSA-N	-1	0	265.317	0.702	20	30		CCEDRM
C=C[C@H](O)C(=O)[N-]OC[C@H](C)NC(=O)OC(C)(C)C	ZINC000935161701	613496296	/nfs/dbraw/zinc/49/62/96/613496296.db2.gz	WQYQQMALAHGIOV-IUCAKERBSA-N	-1	0	274.317	0.494	20	30		CCEDRM
C=C[C@](C)(CCOC)C(=O)N[C@H](COC)C(=O)[O-]	ZINC000909658591	613506132	/nfs/dbraw/zinc/50/61/32/613506132.db2.gz	GFHCJYCTRSVKNW-BXKDBHETSA-N	-1	0	259.302	0.431	20	30		CCEDRM
C=C[C@](C)(O)C(=O)N[C@@H](Cc1ccccc1)C(=O)[O-]	ZINC000908583710	613508431	/nfs/dbraw/zinc/50/84/31/613508431.db2.gz	UWRJETXRHQTBJB-FZMZJTMJSA-N	-1	0	263.293	0.736	20	30		CCEDRM
CC#CCCCC(=O)[N-]S(=O)(=O)c1cn(C)c(C)n1	ZINC000839021479	613520488	/nfs/dbraw/zinc/52/04/88/613520488.db2.gz	YLFKYIGJPLZLJS-UHFFFAOYSA-N	-1	0	283.353	0.727	20	30		CCEDRM
CC#CCCCC(=O)[N-]S(=O)(=O)CC(=O)OCC	ZINC000838844943	613520556	/nfs/dbraw/zinc/52/05/56/613520556.db2.gz	CDUHMBFJXFJAFY-UHFFFAOYSA-N	-1	0	275.326	0.189	20	30		CCEDRM
C=CCCNS(=O)(=O)N=S1(=O)CCCC1	ZINC000867503924	613569763	/nfs/dbraw/zinc/56/97/63/613569763.db2.gz	BBUVOINAQVUHHS-UHFFFAOYSA-N	-1	0	252.361	0.659	20	30		CCEDRM
C=CCCOCC(=O)N1CCC[C@H](O)[C@H]1C(=O)[O-]	ZINC000911638408	613571735	/nfs/dbraw/zinc/57/17/35/613571735.db2.gz	KSPIACFVEWZOTB-ONGXEEELSA-N	-1	0	257.286	0.016	20	30		CCEDRM
C=CCCOCC(=O)[N-]S(=O)(=O)[C@H]1COC(C)(C)C1	ZINC000861142621	613572829	/nfs/dbraw/zinc/57/28/29/613572829.db2.gz	BBFXPMQXPXTRKY-SNVBAGLBSA-N	-1	0	291.369	0.593	20	30		CCEDRM
C=CCCOCCNC(=O)N1CCN(C(=O)[O-])CC1	ZINC000833374981	613574441	/nfs/dbraw/zinc/57/44/41/613574441.db2.gz	QASCOMJFQKQNOK-UHFFFAOYSA-N	-1	0	271.317	0.584	20	30		CCEDRM
C=CCCOCCNC(=O)N[C@@H](CCF)C(=O)[O-]	ZINC000909117145	613575176	/nfs/dbraw/zinc/57/51/76/613575176.db2.gz	IXQCKMDEFNUSRL-VIFPVBQESA-N	-1	0	262.281	0.691	20	30		CCEDRM
C=CCCS(=O)(=O)N[C@@H]1CCCN(C(=O)[O-])C1	ZINC000823501016	613581668	/nfs/dbraw/zinc/58/16/68/613581668.db2.gz	PLFRHIJLFMMVBC-SECBINFHSA-N	-1	0	262.331	0.624	20	30		CCEDRM
C=CCN(CC(=O)[O-])C(=O)NCCC1(O)CCOCC1	ZINC000909081828	613642773	/nfs/dbraw/zinc/64/27/73/613642773.db2.gz	HPUMEBYHWQAIHZ-UHFFFAOYSA-N	-1	0	286.328	0.200	20	30		CCEDRM
C=CCN(CC(=O)[O-])C(=O)NC[C@@H](OC)[C@H]1CCOC1	ZINC000849237050	613642791	/nfs/dbraw/zinc/64/27/91/613642791.db2.gz	PQYCFKQMSADULN-WDEREUQCSA-N	-1	0	286.328	0.320	20	30		CCEDRM
C=CCN(CC(=O)[O-])C(=O)[C@@H](C)N1CCSCC1	ZINC000909515701	613643178	/nfs/dbraw/zinc/64/31/78/613643178.db2.gz	FRWYOPSXOIBSHU-SNVBAGLBSA-N	-1	0	272.370	0.523	20	30		CCEDRM
C=CCN(CC(=O)[O-])C(=O)[C@@H](C)Oc1ccccn1	ZINC000909514085	613643287	/nfs/dbraw/zinc/64/32/87/613643287.db2.gz	BJVQDYRLGCDFDT-SNVBAGLBSA-N	-1	0	264.281	0.948	20	30		CCEDRM
C=CCN(CC(=O)[O-])C(=O)N[C@H]1CCO[C@@]2(CCOC2)C1	ZINC000908700478	613643314	/nfs/dbraw/zinc/64/33/14/613643314.db2.gz	XGRYYKFEMFULKL-FZMZJTMJSA-N	-1	0	298.339	0.607	20	30		CCEDRM
CC#CCS(=O)(=O)[N-]C(=O)/C=C/[C@@H]1CCCO1	ZINC000820896106	613645577	/nfs/dbraw/zinc/64/55/77/613645577.db2.gz	PQRAEBCMAFRAKT-FGEFZZPRSA-N	-1	0	257.311	0.191	20	30		CCEDRM
CC#CCS(=O)(=O)[N-]C(=O)[C@@H](OC)C1CCC1	ZINC000851000769	613646596	/nfs/dbraw/zinc/64/65/96/613646596.db2.gz	ZTOMKNBBCUGKND-JTQLQIEISA-N	-1	0	259.327	0.271	20	30		CCEDRM
CC#CCS(=O)(=O)[N-]C(=O)[C@H](CC(C)C)NC(C)=O	ZINC000810776991	613647098	/nfs/dbraw/zinc/64/70/98/613647098.db2.gz	QIFOTRCJGUWYAO-NSHDSACASA-N	-1	0	288.369	0.007	20	30		CCEDRM
C=CCN(CC=C)S(=O)(=O)C1(C(=O)[O-])CCC1	ZINC000905032790	613648944	/nfs/dbraw/zinc/64/89/44/613648944.db2.gz	CRGPBUFKJNDMFW-UHFFFAOYSA-N	-1	0	259.327	0.998	20	30		CCEDRM
C=CCN(CN1C[C@H](NC(=O)[O-])CC1=O)C1CC1	ZINC000833788208	613651224	/nfs/dbraw/zinc/65/12/24/613651224.db2.gz	QPGIAIMFSLKRDE-SECBINFHSA-N	-1	0	253.302	0.463	20	30		CCEDRM
CC(=NNCC(=O)[O-])c1cnnn1-c1ccccc1	ZINC000814956879	613654339	/nfs/dbraw/zinc/65/43/39/613654339.db2.gz	NWAKRMMEXHSTBA-UHFFFAOYSA-N	-1	0	259.269	0.666	20	30		CCEDRM
C=CCNC(=O)NC(=O)CN1CCC[C@@H]1CN(C)C(=O)[O-]	ZINC000823511587	613849612	/nfs/dbraw/zinc/84/96/12/613849612.db2.gz	ZCRREOHWIHMBOB-SNVBAGLBSA-N	-1	0	298.343	0.072	20	30		CCEDRM
C=CCNC(=O)C(C#N)=C([O-])c1ccc([N+](=O)[O-])n1C	ZINC000916920236	613852908	/nfs/dbraw/zinc/85/29/08/613852908.db2.gz	ILQVYSSIYOQNNZ-QMMMGPOBSA-N	-1	0	276.252	0.558	20	30		CCEDRM
C=CCNC(=O)C(C#N)=C([O-])c1cnn(CC2CC2)c1	ZINC000870140734	613852992	/nfs/dbraw/zinc/85/29/92/613852992.db2.gz	LCQCAJNHKQHVBF-LBPRGKRZSA-N	-1	0	272.308	0.918	20	30		CCEDRM
C=CCNC(=O)[C@@H](C)OC(=O)[C@@]1(C)CCN(C(=O)[O-])C1	ZINC000823506329	613854061	/nfs/dbraw/zinc/85/40/61/613854061.db2.gz	GNGNSNZUZBRZQP-RNCFNFMXSA-N	-1	0	284.312	0.610	20	30		CCEDRM
C=CCNC(=O)[C@H](C#N)C(=O)[C@H]1CCC[C@H](C(=O)[O-])C1	ZINC000825687520	613854745	/nfs/dbraw/zinc/85/47/45/613854745.db2.gz	NXGABMRQTKLFAF-GARJFASQSA-N	-1	0	278.308	0.888	20	30		CCEDRM
C=CCNC(=O)[C@H](C)OC(=O)[C@@H]1CCC[C@H]1NC(=O)[O-]	ZINC000823506023	613855725	/nfs/dbraw/zinc/85/57/25/613855725.db2.gz	AYWYRMLMDBNGAO-IVZWLZJFSA-N	-1	0	284.312	0.657	20	30		CCEDRM
C=CCOCC(=O)N(C)[C@@H](COC(C)C)C(=O)[O-]	ZINC000825691884	613879118	/nfs/dbraw/zinc/87/91/18/613879118.db2.gz	CCQGAWDLBRLJFD-JTQLQIEISA-N	-1	0	259.302	0.526	20	30		CCEDRM
C=CCOCC(=O)N1C[C@@H](OC)C[C@]1(C)C(=O)[O-]	ZINC000910264623	613879270	/nfs/dbraw/zinc/87/92/70/613879270.db2.gz	OZBUOCOPJGTLAT-JOYOIKCWSA-N	-1	0	257.286	0.280	20	30		CCEDRM
C=CCOCC(=O)N1Cc2cc(C(=O)[O-])nn2C[C@H]1C	ZINC000908430185	613879288	/nfs/dbraw/zinc/87/92/88/613879288.db2.gz	BSXSNCNYHTVQTJ-SECBINFHSA-N	-1	0	279.296	0.515	20	30		CCEDRM
C=CCOCC(=O)N[C@@H](C(=O)[O-])C1CCOCC1	ZINC000910016447	613879368	/nfs/dbraw/zinc/87/93/68/613879368.db2.gz	UWSQOZDDYKMSQE-LLVKDONJSA-N	-1	0	257.286	0.185	20	30		CCEDRM
C=CCOCC(=O)N[C@@H](C(=O)[O-])c1cccnc1	ZINC000910982515	613879377	/nfs/dbraw/zinc/87/93/77/613879377.db2.gz	KNDNFYXJNUMMJM-LLVKDONJSA-N	-1	0	250.254	0.526	20	30		CCEDRM
C=CCOCCCNC(=O)CC[C@@H]1C[C@H](C(=O)[O-])CO1	ZINC000872733104	613880048	/nfs/dbraw/zinc/88/00/48/613880048.db2.gz	QESRWMHQNRIDAN-NWDGAFQWSA-N	-1	0	285.340	0.965	20	30		CCEDRM
C=CCOC[C@@H](NC(=O)C1(C#N)CCC1)C(=O)[O-]	ZINC000923079256	613881580	/nfs/dbraw/zinc/88/15/80/613881580.db2.gz	PLPSZSKUMLCYRN-SECBINFHSA-N	-1	0	252.270	0.452	20	30		CCEDRM
C=CCOC[C@@H](NC(=O)/C=C(/C)COC)C(=O)[O-]	ZINC000846118913	613881586	/nfs/dbraw/zinc/88/15/86/613881586.db2.gz	DFGFLBDKYMGPSY-ABRRARGCSA-N	-1	0	257.286	0.351	20	30		CCEDRM
C=CCOC[C@@H](NC(=O)C1(COC)CC1)C(=O)[O-]	ZINC000909771223	613881587	/nfs/dbraw/zinc/88/15/87/613881587.db2.gz	LFZIXLFHMSFLSB-SECBINFHSA-N	-1	0	257.286	0.185	20	30		CCEDRM
C=CCOC[C@@H](NC(=O)C(CC)(CC)CO)C(=O)[O-]	ZINC000909769915	613881593	/nfs/dbraw/zinc/88/15/93/613881593.db2.gz	CFMVXMUZYBLDMX-SNVBAGLBSA-N	-1	0	273.329	0.557	20	30		CCEDRM
C=CCOC[C@@H](NC(=O)C[C@](C)(O)C1CC1)C(=O)[O-]	ZINC000909769494	613881670	/nfs/dbraw/zinc/88/16/70/613881670.db2.gz	CSCTUZLPDDLBHB-MFKMUULPSA-N	-1	0	271.313	0.310	20	30		CCEDRM
C=CCOC[C@@H](NC(=O)N[C@H]1COC2(CCC2)C1)C(=O)[O-]	ZINC000905572101	613881810	/nfs/dbraw/zinc/88/18/10/613881810.db2.gz	AYIUIUVNAWEFLJ-GHMZBOCLSA-N	-1	0	298.339	0.653	20	30		CCEDRM
C=CCOC[C@H](NC(=O)CCn1ccnc1)C(=O)[O-]	ZINC000909768208	613882330	/nfs/dbraw/zinc/88/23/30/613882330.db2.gz	TWJATWAXCCVUSC-JTQLQIEISA-N	-1	0	267.285	0.045	20	30		CCEDRM
C=CCOC[C@H](NC(=O)Cc1cccc(O)c1)C(=O)[O-]	ZINC000909769510	613882334	/nfs/dbraw/zinc/88/23/34/613882334.db2.gz	CULUXCQPNBXKTK-LBPRGKRZSA-N	-1	0	279.292	0.707	20	30		CCEDRM
C=CCOC[C@H](NC(=O)N[C@H]1CSC[C@H]1C)C(=O)[O-]	ZINC000929036146	613882488	/nfs/dbraw/zinc/88/24/88/613882488.db2.gz	CUZQICGXVGYLPA-UTLUCORTSA-N	-1	0	288.369	0.693	20	30		CCEDRM
C=CCOC[C@H](NC(=O)c1ccsn1)C(=O)[O-]	ZINC000909771764	613882658	/nfs/dbraw/zinc/88/26/58/613882658.db2.gz	PQSHSACKSYUAJP-QMMMGPOBSA-N	-1	0	256.283	0.529	20	30		CCEDRM
C=CCOC[C@H](NC(=O)[C@H]1CCO[C@@H]1C)C(=O)[O-]	ZINC000909772971	613882715	/nfs/dbraw/zinc/88/27/15/613882715.db2.gz	ZCMHPDLAMOJPQF-UTLUCORTSA-N	-1	0	257.286	0.183	20	30		CCEDRM
C=CCO[N-]C(=O)CN1C(=O)NC2(CCCC2)C1=O	ZINC000837044390	613883113	/nfs/dbraw/zinc/88/31/13/613883113.db2.gz	MHYKRLPLNFHDLP-UHFFFAOYSA-N	-1	0	267.285	0.085	20	30		CCEDRM
C=CCOc1cccc(NC(=O)C(=O)N[C@@H](C)C(=O)[O-])c1	ZINC000817685782	613884681	/nfs/dbraw/zinc/88/46/81/613884681.db2.gz	IVDWYWQYYDOPAH-VIFPVBQESA-N	-1	0	292.291	0.779	20	30		CCEDRM
C=CCS(=O)(=O)[N-]C(=O)Cc1cn2c(C)csc2n1	ZINC000870255999	613886104	/nfs/dbraw/zinc/88/61/04/613886104.db2.gz	BEHYETAHFGASKA-UHFFFAOYSA-N	-1	0	299.377	0.879	20	30		CCEDRM
C=CCS(=O)(=O)[N-]C(=O)C1(COC)CCCC1	ZINC000838821874	613886160	/nfs/dbraw/zinc/88/61/60/613886160.db2.gz	FIQDQFUAITVJMM-UHFFFAOYSA-N	-1	0	261.343	0.825	20	30		CCEDRM
C=CCS(=O)(=O)[N-]C(=O)[C@H](NC(C)=O)C1CCCC1	ZINC000132807246	613886177	/nfs/dbraw/zinc/88/61/77/613886177.db2.gz	VEYDKCXDCXYMCM-LLVKDONJSA-N	-1	0	288.369	0.313	20	30		CCEDRM
C=CCS(=O)(=O)[N-]C(=O)c1cn2c(n1)C[C@@H](OC)CC2	ZINC000870258295	613886360	/nfs/dbraw/zinc/88/63/60/613886360.db2.gz	JBIFPKXAWISHAK-VIFPVBQESA-N	-1	0	299.352	0.090	20	30		CCEDRM
CC(C)[C@@H](CO)O[N-]C(=O)CNc1ccc(C#N)cn1	ZINC000836893865	614101846	/nfs/dbraw/zinc/10/18/46/614101846.db2.gz	OKWOSZOLFIUKFW-LLVKDONJSA-N	-1	0	278.312	0.430	20	30		CCEDRM
CC(C)CNC(=O)[C@@H](C)OC(=O)[C@@](C)(C#N)CC(=O)[O-]	ZINC000819976802	614141468	/nfs/dbraw/zinc/14/14/68/614141468.db2.gz	GBNNJGHDTXDKOJ-NOZJJQNGSA-N	-1	0	284.312	0.695	20	30		CCEDRM
CC(C)[C@@](C)(C#N)NC(=O)COC(=O)[C@H](C)CC(=O)[O-]	ZINC000827335235	614180945	/nfs/dbraw/zinc/18/09/45/614180945.db2.gz	YTAKIXSKCIBFAT-NOZJJQNGSA-N	-1	0	284.312	0.695	20	30		CCEDRM
CC(C)(C#N)C(=O)N1C[C@H]2COCC[C@@]2(C(=O)[O-])C1	ZINC000923071992	614284573	/nfs/dbraw/zinc/28/45/73/614284573.db2.gz	DGUJRQYBNCBMMO-TVQRCGJNSA-N	-1	0	266.297	0.486	20	30		CCEDRM
CC(C)(C#N)CS(=O)(=O)N1CCCC[C@H]1C(=O)[O-]	ZINC000905987172	614286333	/nfs/dbraw/zinc/28/63/33/614286333.db2.gz	ZLNJMRVBJDKRNV-VIFPVBQESA-N	-1	0	274.342	0.805	20	30		CCEDRM
CC(C)(C#N)CS(=O)(=O)[N-]C(=O)c1cccc(C#N)n1	ZINC000810657468	614287126	/nfs/dbraw/zinc/28/71/26/614287126.db2.gz	ZGKCPAVIUUOAIV-UHFFFAOYSA-N	-1	0	292.320	0.563	20	30		CCEDRM
CC(C)c1cnc(Cn2c(=O)[n-]cc(C#N)c2=O)o1	ZINC000842613489	614316348	/nfs/dbraw/zinc/31/63/48/614316348.db2.gz	AHYKSWPMSJZBJZ-UHFFFAOYSA-N	-1	0	260.253	0.568	20	30		CCEDRM
CC(C)C#CC(=O)N1CC(CNC(=O)C(F)(F)F)C1	ZINC000831121021	614325086	/nfs/dbraw/zinc/32/50/86/614325086.db2.gz	GKQMZHGGLRJDQB-UHFFFAOYSA-N	-1	0	276.258	0.783	20	30		CCEDRM
CC(C)n1cnc(S(=O)(=O)[N-]C(=O)CCCC#N)c1	ZINC000813075671	614367710	/nfs/dbraw/zinc/36/77/10/614367710.db2.gz	AAMSAZNKHNWQBK-UHFFFAOYSA-N	-1	0	284.341	0.963	20	30		CCEDRM
CCC(CC)(NS(=O)(=O)CCCC#N)C(=O)[O-]	ZINC000828848949	614529795	/nfs/dbraw/zinc/52/97/95/614529795.db2.gz	AISGDJQAQSOJND-UHFFFAOYSA-N	-1	0	262.331	0.853	20	30		CCEDRM
CC1(C)CCN1C(=O)CCn1cc(C#N)c(=O)[n-]c1=O	ZINC000820176576	614549000	/nfs/dbraw/zinc/54/90/00/614549000.db2.gz	FNCAQBBDLXEIJU-UHFFFAOYSA-N	-1	0	276.296	0.222	20	30		CCEDRM
CCC(=O)N1CCCN(C(=O)[C@](C)(C#N)CC(=O)[O-])CC1	ZINC000820256590	614549411	/nfs/dbraw/zinc/54/94/11/614549411.db2.gz	DBGBOPOUKFSQSL-AWEZNQCLSA-N	-1	0	295.339	0.462	20	30		CCEDRM
CC1(C)C[C@H]1C(=O)N1CC(n2cc(C#N)c(=O)[n-]c2=O)C1	ZINC000863934889	614782423	/nfs/dbraw/zinc/78/24/23/614782423.db2.gz	PRVLJDWVNZJTSH-JTQLQIEISA-N	-1	0	288.307	0.250	20	30		CCEDRM
CCN(C(C)=O)c1nc(CN(CC#N)CC(=O)[O-])cs1	ZINC000829602373	614829417	/nfs/dbraw/zinc/82/94/17/614829417.db2.gz	LAOJTVMQXYLXBI-UHFFFAOYSA-N	-1	0	296.352	0.926	20	30		CCEDRM
CCN(CCCNC(=O)NC[C@@H](C)C#N)C(=O)[O-]	ZINC000833858184	615042913	/nfs/dbraw/zinc/04/29/13/615042913.db2.gz	FIAZFJLLIFQCDU-VIFPVBQESA-N	-1	0	256.306	0.835	20	30		CCEDRM
CCC[C@H](CNC(=O)[C@@]1(C#N)CCCOC1)C(=O)[O-]	ZINC000923080954	615043275	/nfs/dbraw/zinc/04/32/75/615043275.db2.gz	KVXSLPYRYRENQG-ZWNOBZJWSA-N	-1	0	268.313	0.924	20	30		CCEDRM
CCN(C[C@H](C)C#N)C(=O)CN1CC[C@](F)(C(=O)[O-])C1	ZINC000829642711	615064636	/nfs/dbraw/zinc/06/46/36/615064636.db2.gz	ONFDTCVESANYCR-ZWNOBZJWSA-N	-1	0	285.319	0.493	20	30		CCEDRM
CCO[N-]C(=O)CNS(=O)(=O)c1ccc(C#N)c(C)c1	ZINC000846002907	615375559	/nfs/dbraw/zinc/37/55/59/615375559.db2.gz	OMUOPZNBTYFHSE-UHFFFAOYSA-N	-1	0	297.336	0.213	20	30		CCEDRM
CCO[C@H](C(=O)[N-]S(=O)(=O)CCC#N)C1CC1	ZINC000860752292	615471702	/nfs/dbraw/zinc/47/17/02/615471702.db2.gz	LKHXMVNETJHGLN-VIFPVBQESA-N	-1	0	260.315	0.161	20	30		CCEDRM
CC[C@@H](CNS(=O)(=O)N(C)C[C@@H](C)C#N)C(=O)[O-]	ZINC000844785650	615484448	/nfs/dbraw/zinc/48/44/48/615484448.db2.gz	MXRRCBAPCXKGNP-IUCAKERBSA-N	-1	0	277.346	0.023	20	30		CCEDRM
CC[C@@H](NC(=O)CNC(=O)c1ccc(C#N)cc1)C(=O)[O-]	ZINC000818282728	615526214	/nfs/dbraw/zinc/52/62/14/615526214.db2.gz	HLMKGKBMXSMJNS-LLVKDONJSA-N	-1	0	289.291	0.267	20	30		CCEDRM
CC[C@@H](NC(=O)[C@@H](O)c1ccc(C#N)cc1)C(=O)[O-]	ZINC000820410660	615529764	/nfs/dbraw/zinc/52/97/64/615529764.db2.gz	GJAPFPILWKBLGA-MNOVXSKESA-N	-1	0	262.265	0.571	20	30		CCEDRM
CC[C@@H](NN=Cc1nnn(C(C)(C)C)n1)C(=O)[O-]	ZINC000853349079	615536393	/nfs/dbraw/zinc/53/63/93/615536393.db2.gz	SRFAYWBNPHJOFL-SSDOTTSWSA-N	-1	0	254.294	0.215	20	30		CCEDRM
CC[C@@H](O)CNN=Cc1cc([O-])ccc1[N+](=O)[O-]	ZINC000811655980	615542241	/nfs/dbraw/zinc/54/22/41/615542241.db2.gz	CELTXUUEQBETNH-SECBINFHSA-N	-1	0	253.258	0.995	20	30		CCEDRM
CC[C@H](C#N)NS(=O)(=O)c1ccc(CC(=O)[O-])cc1	ZINC000833635890	615600009	/nfs/dbraw/zinc/60/00/09/615600009.db2.gz	BVGKLZLZSXFOCJ-SNVBAGLBSA-N	-1	0	282.321	0.894	20	30		CCEDRM
CC[C@H](C#N)OC(=O)c1ccc(S(=O)(=O)NC)o1	ZINC000122675402	615600104	/nfs/dbraw/zinc/60/01/04/615600104.db2.gz	ILQVRBIYADBMAZ-SSDOTTSWSA-N	-1	0	272.282	0.647	20	30		CCEDRM
CCn1nc(C)cc1C(=O)N1CCN(C(=O)[O-])C[C@H]1C#N	ZINC000827718190	615670830	/nfs/dbraw/zinc/67/08/30/615670830.db2.gz	WOSYQHXBNDGILB-SNVBAGLBSA-N	-1	0	291.311	0.539	20	30		CCEDRM
CC[C@H](C)S(=O)(=O)[N-]C(=O)c1ccc(C#N)n1C	ZINC000835295910	615682544	/nfs/dbraw/zinc/68/25/44/615682544.db2.gz	NKZPLXNMCGVBMP-QMMMGPOBSA-N	-1	0	269.326	0.755	20	30		CCEDRM
CN(C(=O)[O-])[C@H]1CCN(C(=O)C2(C#N)CCC2)C1	ZINC000827834830	615845031	/nfs/dbraw/zinc/84/50/31/615845031.db2.gz	ACBPRCVVEJGDFY-VIFPVBQESA-N	-1	0	251.286	0.891	20	30		CCEDRM
CCn1[n-]nnc1=NC(=O)N(CCC#N)CC1CC1	ZINC000888334275	615910630	/nfs/dbraw/zinc/91/06/30/615910630.db2.gz	JHFLAQISVCZSTM-UHFFFAOYSA-N	-1	0	263.305	0.272	20	30		CCEDRM
CCn1[n-]nnc1=NC(=O)N(C[C@H](C)C#N)C1CC1	ZINC000888332726	615910809	/nfs/dbraw/zinc/91/08/09/615910809.db2.gz	HEZAEHAZQJMBRT-MRVPVSSYSA-N	-1	0	263.305	0.271	20	30		CCEDRM
CCn1ccc(C(=O)C(C#N)=C([O-])c2nccn2C)n1	ZINC000842740522	616025145	/nfs/dbraw/zinc/02/51/45/616025145.db2.gz	SFMWODOAECRXQJ-VIFPVBQESA-N	-1	0	271.280	0.842	20	30		CCEDRM
CN(C)c1cnc(C([O-])=C(C#N)C(=O)NC2CC2)cn1	ZINC000847624521	616031950	/nfs/dbraw/zinc/03/19/50/616031950.db2.gz	SVYCISDFGUPVJU-SECBINFHSA-N	-1	0	273.296	0.144	20	30		CCEDRM
CN(CCC#N)S(=O)(=O)NCCCCCCC(=O)[O-]	ZINC000914576744	616068047	/nfs/dbraw/zinc/06/80/47/616068047.db2.gz	UHDSRZIGYRIBBF-UHFFFAOYSA-N	-1	0	291.373	0.701	20	30		CCEDRM
CN(CCCNC(=O)Nc1ccn(CCC#N)n1)C(=O)[O-]	ZINC000828294396	616075066	/nfs/dbraw/zinc/07/50/66/616075066.db2.gz	XTHKUVJYULFPBH-UHFFFAOYSA-N	-1	0	294.315	0.918	20	30		CCEDRM
CN(CCOCC1CC1)C(=O)[C@@](C)(C#N)CC(=O)[O-]	ZINC000820597339	616114931	/nfs/dbraw/zinc/11/49/31/616114931.db2.gz	KENHOJKCYKCYKE-CYBMUJFWSA-N	-1	0	268.313	0.876	20	30		CCEDRM
CN([C@@H](C(=O)[O-])c1ccc(C#N)cc1)[C@@H]1CCNC1=O	ZINC000833690691	616115147	/nfs/dbraw/zinc/11/51/47/616115147.db2.gz	AVBHJLYDGUTBIN-VXGBXAGGSA-N	-1	0	273.292	0.504	20	30		CCEDRM
CN(Cc1ccccc1)C(=O)C(C#N)=C([O-])c1cn(C)nn1	ZINC000809003279	616169810	/nfs/dbraw/zinc/16/98/10/616169810.db2.gz	OVVLGSZQDJNFER-LBPRGKRZSA-N	-1	0	297.318	0.796	20	30		CCEDRM
CN1CCC[C@@H](N[C@@H](C(=O)[O-])c2cccc(C#N)c2)C1=O	ZINC000830934302	616190858	/nfs/dbraw/zinc/19/08/58/616190858.db2.gz	DZJQVWOEYHUCKQ-CHWSQXEVSA-N	-1	0	287.319	0.894	20	30		CCEDRM
CN1CC[C@@H](C(=O)Nc2cc(C#N)ccc2[O-])S1(=O)=O	ZINC000843842535	616267906	/nfs/dbraw/zinc/26/79/06/616267906.db2.gz	KAAFBLSBQYOIPT-NSHDSACASA-N	-1	0	295.320	0.236	20	30		CCEDRM
COC/C=C\C(=O)[N-]S(=O)(=O)CC1(C#N)CCCC1	ZINC000870273793	616408246	/nfs/dbraw/zinc/40/82/46/616408246.db2.gz	XIYNNMSWTFOCSW-PLNGDYQASA-N	-1	0	286.353	0.719	20	30		CCEDRM
COCCNC(=O)C(C#N)=C([O-])c1ccc(OC)c(F)c1	ZINC000916892963	616491682	/nfs/dbraw/zinc/49/16/82/616491682.db2.gz	UNMVTWACKLGRAO-JTQLQIEISA-N	-1	0	294.282	0.919	20	30		CCEDRM
COCCNC(=O)C(C#N)=C([O-])c1ccn(C(C)(C)C)n1	ZINC000847623683	616496542	/nfs/dbraw/zinc/49/65/42/616496542.db2.gz	NKCULOWJTZCGJH-SNVBAGLBSA-N	-1	0	292.339	0.723	20	30		CCEDRM
COCCOC1CCN(C(=O)[C@](C)(C#N)CC(=O)[O-])CC1	ZINC000820733134	616523797	/nfs/dbraw/zinc/52/37/97/616523797.db2.gz	QONTUBQDHDWNMA-AWEZNQCLSA-N	-1	0	298.339	0.645	20	30		CCEDRM
COC(=O)CN(CC#N)C(=O)c1ccc(CNC(=O)[O-])o1	ZINC000828683934	616588001	/nfs/dbraw/zinc/58/80/01/616588001.db2.gz	OTSIAONAXSBOLS-UHFFFAOYSA-N	-1	0	295.251	0.186	20	30		CCEDRM
COC(=O)CN(CC#N)Cc1ccc(C(=O)[O-])o1	ZINC000831164637	616588632	/nfs/dbraw/zinc/58/86/32/616588632.db2.gz	PFUXYYPPWGKPLN-UHFFFAOYSA-N	-1	0	252.226	0.476	20	30		CCEDRM
COC(=O)[C@H](OC(=O)CNC(=O)[O-])c1cccc(C#N)c1	ZINC000828612378	616641529	/nfs/dbraw/zinc/64/15/29/616641529.db2.gz	JMWDHZYLLKAINN-LLVKDONJSA-N	-1	0	292.247	0.583	20	30		CCEDRM
CNC(=O)C(C#N)=C([O-])c1cncc(OCCOC)c1	ZINC000802044132	616778080	/nfs/dbraw/zinc/77/80/80/616778080.db2.gz	HARQXDGWESYJBF-NSHDSACASA-N	-1	0	277.280	0.175	20	30		CCEDRM
COC[C@](C)(C#N)NC(=O)CC1CN(C(=O)[O-])C1	ZINC000828885378	616816482	/nfs/dbraw/zinc/81/64/82/616816482.db2.gz	CXGSKTGUDXQUQE-NSHDSACASA-N	-1	0	255.274	0.031	20	30		CCEDRM
COC[C@](C)(C#N)NC(=O)CN(C[C@H]1CCCO1)C(=O)[O-]	ZINC000828885319	616816538	/nfs/dbraw/zinc/81/65/38/616816538.db2.gz	BVDGIMBMQOQNLM-MFKMUULPSA-N	-1	0	299.327	0.190	20	30		CCEDRM
COC[C@@H](C)S(=O)(=O)[N-]C(=O)CCCCC#N	ZINC000847646903	616838329	/nfs/dbraw/zinc/83/83/29/616838329.db2.gz	FZNVTUUTILQFSO-SECBINFHSA-N	-1	0	262.331	0.551	20	30		CCEDRM
CNC(=O)C(C#N)=C([O-])c1ccn(-c2cccc(C#N)c2)n1	ZINC000798816697	616839405	/nfs/dbraw/zinc/83/94/05/616839405.db2.gz	PFERKCQVFCDCIV-GFCCVEGCSA-N	-1	0	293.286	0.812	20	30		CCEDRM
CO[C@@H]1C[C@@H](NC(=O)[C@@](C)(C#N)CC(=O)[O-])C1(C)C	ZINC000820702786	616852964	/nfs/dbraw/zinc/85/29/64/616852964.db2.gz	FVEKZQSJLGXUNR-JRKPZEMJSA-N	-1	0	268.313	0.921	20	30		CCEDRM
COCCCCS(=O)(=O)[N-]C(=O)CCCC#N	ZINC000813086714	616868529	/nfs/dbraw/zinc/86/85/29/616868529.db2.gz	ULLICMCFLWTZKG-UHFFFAOYSA-N	-1	0	262.331	0.553	20	30		CCEDRM
COCc1ccc(C(=O)[N-]S(=O)(=O)CCC#N)cc1	ZINC000821582805	616892562	/nfs/dbraw/zinc/89/25/62/616892562.db2.gz	XZGDZRFGUYQFFD-UHFFFAOYSA-N	-1	0	282.321	0.806	20	30		CCEDRM
COC(=O)c1ccc(O)c(C=NNCC(C)(C)O)c1	ZINC000863139506	616918612	/nfs/dbraw/zinc/91/86/12/616918612.db2.gz	JBKZPPNXPRHILA-UHFFFAOYSA-N	-1	0	266.297	0.873	20	30		CCEDRM
COCCN(CC(=O)OC1(C#N)CCC1)C(=O)[O-]	ZINC000828979787	616987411	/nfs/dbraw/zinc/98/74/11/616987411.db2.gz	MENFPFHOABCKTK-UHFFFAOYSA-N	-1	0	256.258	0.602	20	30		CCEDRM
COCCN(CCC#N)C(=O)C[C@@H]1CCCN1C(=O)[O-]	ZINC000828979097	616992107	/nfs/dbraw/zinc/99/21/07/616992107.db2.gz	CMKFTCQGJXUKFY-NSHDSACASA-N	-1	0	283.328	0.908	20	30		CCEDRM
CO[C@H](C(=O)[O-])C(=O)NCCc1ccc(C#N)cc1	ZINC000902045225	616992555	/nfs/dbraw/zinc/99/25/55/616992555.db2.gz	BMXDBFVYIUKGHO-NSHDSACASA-N	-1	0	262.265	0.317	20	30		CCEDRM
COCCN(CCC(=O)[O-])c1cncc(C#N)n1	ZINC000900978489	616997128	/nfs/dbraw/zinc/99/71/28/616997128.db2.gz	IJGPAVRXSVCNAQ-UHFFFAOYSA-N	-1	0	250.258	0.276	20	30		CCEDRM
COC[C@@](C)(NC(=O)CNc1ccc(C#N)cc1)C(=O)[O-]	ZINC000831608072	617019894	/nfs/dbraw/zinc/01/98/94/617019894.db2.gz	BYFHOAHEUHOHPR-CQSZACIVSA-N	-1	0	291.307	0.576	20	30		CCEDRM
COC[C@@](C)(NC(=O)c1cc(C#N)cs1)C(=O)[O-]	ZINC000831612496	617023037	/nfs/dbraw/zinc/02/30/37/617023037.db2.gz	BYKJTBYCGIROHP-LLVKDONJSA-N	-1	0	268.294	0.839	20	30		CCEDRM
COC[C@@](C)(NC(=O)c1ccccc1OCC#N)C(=O)[O-]	ZINC000831623452	617023658	/nfs/dbraw/zinc/02/36/58/617023658.db2.gz	FEQNVZKIAJKWBE-CQSZACIVSA-N	-1	0	292.291	0.808	20	30		CCEDRM
COC[C@@](C)(O)C(=O)O[C@H](C(=O)[O-])c1ccc(C#N)cc1	ZINC000831638061	617028136	/nfs/dbraw/zinc/02/81/36/617028136.db2.gz	QFTIFZSVSWQZLK-SMDDNHRTSA-N	-1	0	293.275	0.625	20	30		CCEDRM
CON=CC(=O)N[C@@H](c1nnn[n-]1)c1ccccc1	ZINC000809621594	617106123	/nfs/dbraw/zinc/10/61/23/617106123.db2.gz	KSEXHDNCVASQHI-SNVBAGLBSA-N	-1	0	260.257	0.038	20	30		CCEDRM
C=CC[C@H](CO)CN=c1nn[n-]n1Cc1ccccc1	ZINC000893096018	625318347	/nfs/dbraw/zinc/31/83/47/625318347.db2.gz	AAIMMTWQYBXJJW-ZDUSSCGKSA-N	-1	0	273.340	0.740	20	30		CCEDRM
N#CCN[C@H]1C[C@@H](NC(=O)c2ccc3oc(=O)nc-3[n-]2)C1	ZINC001022970070	622873235	/nfs/dbraw/zinc/87/32/35/622873235.db2.gz	YWGKDLLWHSSMOD-OCAPTIKFSA-N	-1	0	287.279	0.302	20	30		CCEDRM
N#Cc1cc(S(=O)(=O)NC/C=C\C(=O)[O-])ccc1F	ZINC000311764869	623800039	/nfs/dbraw/zinc/80/00/39/623800039.db2.gz	BCIDFFYMWBPHQU-UPHRSURJSA-N	-1	0	284.268	0.616	20	30		CCEDRM
CCCCS(=O)(=O)[N-]C(=O)Cn1cc([N+](=O)[O-])cn1	ZINC000048518691	624697617	/nfs/dbraw/zinc/69/76/17/624697617.db2.gz	FBQHMHUXHUCDLW-UHFFFAOYSA-N	-1	0	290.301	0.878	20	30		CCEDRM
N#Cc1ccc(F)c(CNC(=O)[C@H]2CC[C@H](C(=O)[O-])O2)c1	ZINC000905129919	634804758	/nfs/dbraw/zinc/80/47/58/634804758.db2.gz	ZTKMGEVJKQINLX-VXGBXAGGSA-N	-1	0	292.266	0.946	20	30		CCEDRM
C[C@@H](O[C@@H](C)C(=O)[O-])C(=O)N[C@H](CC#N)C(F)(F)F	ZINC000905130336	634804980	/nfs/dbraw/zinc/80/49/80/634804980.db2.gz	SYEYJFGRAYDXFH-DSYKOEDSSA-N	-1	0	282.218	0.825	20	30		CCEDRM
Cn1cc(S(=O)(=O)[N-]C(=O)c2cccc(C#N)c2)cn1	ZINC000048519954	631730524	/nfs/dbraw/zinc/73/05/24/631730524.db2.gz	JTNDCJNIGNXORP-UHFFFAOYSA-N	-1	0	290.304	0.985	20	30		CCEDRM
C#CCCCC(=O)N[C@H](C(=O)[O-])[C@@H]1CCCOC1	ZINC000909547680	632347969	/nfs/dbraw/zinc/34/79/69/632347969.db2.gz	YLMDDHMVLIXGCH-PWSUYJOCSA-N	-1	0	253.298	0.786	20	30		CCEDRM
COc1cncc(S(=O)(=O)[N-]c2cnn(CC#N)c2)c1	ZINC000799122197	632810034	/nfs/dbraw/zinc/81/00/34/632810034.db2.gz	TWPZYCLYNFAVEK-UHFFFAOYSA-N	-1	0	293.308	0.611	20	30		CCEDRM
CS(=O)(=O)[N-]C(=O)[C@@H]1CC(=O)N(Cc2ccco2)C1	ZINC000042280016	633898814	/nfs/dbraw/zinc/89/88/14/633898814.db2.gz	PMQSCCRHAAKRSZ-MRVPVSSYSA-N	-1	0	286.309	0.544	20	30		CCEDRM
C[C@H]1CN=C(NN=Cc2cc(C(=O)[O-])ccc2N(C)C)N1	ZINC000901216197	634209325	/nfs/dbraw/zinc/20/93/25/634209325.db2.gz	PAEVHJNFCDAZPX-VIFPVBQESA-N	-1	0	289.339	0.722	20	30		CCEDRM
N#CCC1CN(S(=O)(=O)c2cccc(C(=O)[O-])c2)C1	ZINC000907038897	635066159	/nfs/dbraw/zinc/06/61/59/635066159.db2.gz	MUKHPVFQDNEVMZ-UHFFFAOYSA-N	-1	0	280.305	0.919	20	30		CCEDRM
N#CCCCC(=O)N1CCSC[C@@H]1c1nnn[n-]1	ZINC000907480373	635140176	/nfs/dbraw/zinc/14/01/76/635140176.db2.gz	ORDJARNPMUCDCH-MRVPVSSYSA-N	-1	0	266.330	0.510	20	30		CCEDRM
O=C(N[C@H]1CCCN(O)C1=O)c1cnc2cc[nH]c2c1	ZINC000908402248	635367062	/nfs/dbraw/zinc/36/70/62/635367062.db2.gz	CGVFMBBVWCRTKN-JTQLQIEISA-N	-1	0	274.280	0.673	20	30		CCEDRM
O=C(N[C@@H]1CCCN(O)C1=O)c1ccc(Cl)nc1F	ZINC000908402132	635367308	/nfs/dbraw/zinc/36/73/08/635367308.db2.gz	AOIGJCOUXZCPDW-SSDOTTSWSA-N	-1	0	287.678	0.984	20	30		CCEDRM
C=CCCCN(CC)C(=O)C(=O)N[C@H]1C[C@@H](C(=O)[O-])C1	ZINC000910493518	635789241	/nfs/dbraw/zinc/78/92/41/635789241.db2.gz	COXVILKPLGOEIJ-PHIMTYICSA-N	-1	0	282.340	0.781	20	30		CCEDRM
C#CCCCC(=O)N[C@@H](C[C@@H]1CCCO1)C(=O)[O-]	ZINC000910591228	635809738	/nfs/dbraw/zinc/80/97/38/635809738.db2.gz	QFDSUFGFQFECRS-QWRGUYRKSA-N	-1	0	253.298	0.928	20	30		CCEDRM
N#CC1(C(=O)N[C@H](CC(=O)[O-])C(F)(F)F)CCOCC1	ZINC000911157941	636185000	/nfs/dbraw/zinc/18/50/00/636185000.db2.gz	YIEZWYWCQMTNAR-SSDOTTSWSA-N	-1	0	294.229	0.829	20	30		CCEDRM
C#C[C@H](CO)NC(=O)C1(C(=O)[O-])CC2(CCC2)C1	ZINC000911610668	636303027	/nfs/dbraw/zinc/30/30/27/636303027.db2.gz	BJWTZEWZLLPLEL-SECBINFHSA-N	-1	0	251.282	0.132	20	30		CCEDRM
CN(CCC(=O)[O-])S(=O)(=O)c1ccc(C#N)s1	ZINC000230323861	637166227	/nfs/dbraw/zinc/16/62/27/637166227.db2.gz	BTBLPAMOJHSMRY-UHFFFAOYSA-N	-1	0	274.323	0.715	20	30		CCEDRM
C=CCCOCCNC(=O)N[C@]1(C(=O)[O-])CCOC1	ZINC000231837603	637231341	/nfs/dbraw/zinc/23/13/41/637231341.db2.gz	NQNZQIDTKSKXLN-GFCCVEGCSA-N	-1	0	272.301	0.122	20	30		CCEDRM
O=C([O-])c1ccc(C=NN[C@H]2CCS(=O)(=O)C2)cc1	ZINC000916239151	637893244	/nfs/dbraw/zinc/89/32/44/637893244.db2.gz	OGZMEBCOEJTFGD-NSHDSACASA-N	-1	0	282.321	0.495	20	30		CCEDRM
C#Cc1cccc(NC(=O)C(=O)[N-]OCCOCC)c1	ZINC000186156988	638864678	/nfs/dbraw/zinc/86/46/78/638864678.db2.gz	FUOPSYNQTWYZIM-UHFFFAOYSA-N	-1	0	276.292	0.691	20	30		CCEDRM
N#C[C@@]1(C(=O)NC[C@H](CC(=O)[O-])C2CC2)CCCOC1	ZINC000923094828	640020609	/nfs/dbraw/zinc/02/06/09/640020609.db2.gz	UGAUITXSKSRAFI-FZMZJTMJSA-N	-1	0	280.324	0.924	20	30		CCEDRM
C=CCCOCC[N-]S(=O)(=O)N=[S@@](C)(=O)CC	ZINC000867017014	640354032	/nfs/dbraw/zinc/35/40/32/640354032.db2.gz	BRTOQTCGEZXIOE-INIZCTEOSA-N	-1	0	284.403	0.531	20	30		CCEDRM
C[C@H]1CC(NC(=O)c2ccc(-c3nc(=O)o[n-]3)cc2)=NO1	ZINC000765374716	640382204	/nfs/dbraw/zinc/38/22/04/640382204.db2.gz	BEAYNMOXZMBAIB-ZETCQYMHSA-N	-1	0	288.263	0.882	20	30		CCEDRM
Cc1nnc(NNC2=CC(=O)N3CCCC[C@@H]23)[n-]c1=O	ZINC000799470841	640573636	/nfs/dbraw/zinc/57/36/36/640573636.db2.gz	SSEACHIRGVNTKH-VIFPVBQESA-N	-1	0	276.300	0.438	20	30		CCEDRM
C[C@@H]1C[C@H](C)[C@H](C(=O)[N-]S(=O)(=O)CCCC#N)O1	ZINC000800404242	640612480	/nfs/dbraw/zinc/61/24/80/640612480.db2.gz	WDOYIOBMYSBCDN-IVZWLZJFSA-N	-1	0	274.342	0.550	20	30		CCEDRM
N#CC1(CS(=O)(=O)[N-]C(=O)C2=CCOCC2)CCC1	ZINC000802175928	640687789	/nfs/dbraw/zinc/68/77/89/640687789.db2.gz	LABKRFLIJSLISQ-UHFFFAOYSA-N	-1	0	284.337	0.473	20	30		CCEDRM
O=C([O-])c1ccc(N=NC2CCS(=O)(=O)CC2)nc1	ZINC000814890740	641080558	/nfs/dbraw/zinc/08/05/58/641080558.db2.gz	XFDJNRJESVTUSW-UHFFFAOYSA-N	-1	0	283.309	0.756	20	30		CCEDRM
C[C@H]1C(=NN2CC(=O)N(C)C2=O)CC[C@H]1CC(=O)[O-]	ZINC000814891982	641081338	/nfs/dbraw/zinc/08/13/38/641081338.db2.gz	YZFFARPYXIUMOA-SFYZADRCSA-N	-1	0	267.285	0.757	20	30		CCEDRM
C[C@H]1C(=NNCC(N)=O)CC[C@H](C(=O)[O-])C1(C)C	ZINC000814904086	641081750	/nfs/dbraw/zinc/08/17/50/641081750.db2.gz	QQUAIAHYVBQUEB-JGVFFNPUSA-N	-1	0	255.318	0.574	20	30		CCEDRM
Cn1c([O-])c(C(=O)/C=C\c2cncs2)c(=O)n(C)c1=O	ZINC000821012272	641556036	/nfs/dbraw/zinc/55/60/36/641556036.db2.gz	HCTKJRDMXHEHPS-ARJAWSKDSA-N	-1	0	293.304	0.142	20	30		CCEDRM
Cc1ncsc1C(=O)[N-]S(=O)(=O)CCC#N	ZINC000821582112	641610660	/nfs/dbraw/zinc/61/06/60/641610660.db2.gz	CUKRNQQYCJQOAO-UHFFFAOYSA-N	-1	0	259.312	0.425	20	30		CCEDRM
COc1ncccc1C(=O)[N-]S(=O)(=O)CCC#N	ZINC000821584159	641611063	/nfs/dbraw/zinc/61/10/63/641611063.db2.gz	SVLAOZUXNQMMNF-UHFFFAOYSA-N	-1	0	269.282	0.063	20	30		CCEDRM
N#CCCS(=O)(=O)[N-]C(=O)c1cnn2c1CCCC2	ZINC000821583573	641611069	/nfs/dbraw/zinc/61/10/69/641611069.db2.gz	ADPFUYZCAFCRAI-UHFFFAOYSA-N	-1	0	282.325	0.193	20	30		CCEDRM
N#CCCS(=O)(=O)[N-]C(=O)c1cccc2[nH]c(=O)oc21	ZINC000821582585	641611654	/nfs/dbraw/zinc/61/16/54/641611654.db2.gz	QZYWXRRDBBUMQV-UHFFFAOYSA-N	-1	0	295.276	0.507	20	30		CCEDRM
Cc1noc(C)c1Cn1cnc(-c2nnn[n-]2)c1C#N	ZINC000826339194	641926898	/nfs/dbraw/zinc/92/68/98/641926898.db2.gz	VHPDBSDMKGUTIQ-UHFFFAOYSA-N	-1	0	270.256	0.588	20	30		CCEDRM
C[C@@H]1CCC[C@H](NC(=O)CN(CC#N)CC(=O)[O-])[C@@H]1C	ZINC000828240620	642075155	/nfs/dbraw/zinc/07/51/55/642075155.db2.gz	ZOENJKZAOAHJGU-UTUOFQBUSA-N	-1	0	281.356	0.837	20	30		CCEDRM
Cn1c(CN(CC#N)CC(=O)[O-])nc2ccccc2c1=O	ZINC000833039066	642532745	/nfs/dbraw/zinc/53/27/45/642532745.db2.gz	VBWLAVVAWVKREE-UHFFFAOYSA-N	-1	0	286.291	0.344	20	30		CCEDRM
N#Cc1ccc2c(c1)CCC[C@@H]2NC(=O)c1cc(=O)[nH][n-]1	ZINC000841466367	642819777	/nfs/dbraw/zinc/81/97/77/642819777.db2.gz	XTSLFWHFJJSPBH-LBPRGKRZSA-N	-1	0	282.303	0.928	20	30		CCEDRM
CCN(C[C@H](C)C#N)S(=O)(=O)NCC[C@@H](C)C(=O)[O-]	ZINC000844785236	643248752	/nfs/dbraw/zinc/24/87/52/643248752.db2.gz	KNFBMRGMGOKOLC-NXEZZACHSA-N	-1	0	291.373	0.413	20	30		CCEDRM
O=C([O-])C#CC1CCN(S(=O)(=O)C(F)F)CC1	ZINC000844816394	643249644	/nfs/dbraw/zinc/24/96/44/643249644.db2.gz	PKHFGIPLFHCVGI-UHFFFAOYSA-N	-1	0	267.253	0.339	20	30		CCEDRM
Cn1cccc1S(=O)(=O)[N-]C(=O)CCCCC#N	ZINC000847730974	643551369	/nfs/dbraw/zinc/55/13/69/643551369.db2.gz	UUDFHDCXMRNQNY-UHFFFAOYSA-N	-1	0	269.326	0.914	20	30		CCEDRM
C[C@@H](CC#N)C(=O)[N-]S(=O)(=O)C[C@H]1CCCO1	ZINC000850938517	643822768	/nfs/dbraw/zinc/82/27/68/643822768.db2.gz	YWPDBRWDUVZNON-DTWKUNHWSA-N	-1	0	260.315	0.161	20	30		CCEDRM
C[C@H](CC#N)C(=O)[N-]S(=O)(=O)c1ccc2n[nH]nc2c1	ZINC000851016734	643826513	/nfs/dbraw/zinc/82/65/13/643826513.db2.gz	DBMZUVBHMGQRMV-SSDOTTSWSA-N	-1	0	293.308	0.313	20	30		CCEDRM
Cc1nocc1C(=O)[N-]S(=O)(=O)CC1(C#N)CCC1	ZINC000860672488	644820571	/nfs/dbraw/zinc/82/05/71/644820571.db2.gz	WASCLMSJMBFCHJ-UHFFFAOYSA-N	-1	0	283.309	0.737	20	30		CCEDRM
C#CC[C@H]1CCN(C(=O)c2c[nH]c3nc(=O)[n-]c(=O)c-3c2)C1	ZINC000862564019	645006723	/nfs/dbraw/zinc/00/67/23/645006723.db2.gz	QVDYTJPEPCNXEV-VIFPVBQESA-N	-1	0	298.302	0.921	20	30		CCEDRM
N#Cc1cnc(N2CC(C[N-]C(=O)C(F)(F)F)C2)cn1	ZINC000866293965	645514995	/nfs/dbraw/zinc/51/49/95/645514995.db2.gz	IJXZXHPTUKLHGG-UHFFFAOYSA-N	-1	0	285.229	0.463	20	30		CCEDRM
N#CC1(CC(=O)N[C@H]2C[C@@H](C(=O)[O-])C2)CCOCC1	ZINC000868444629	645770608	/nfs/dbraw/zinc/77/06/08/645770608.db2.gz	AZBYQSCGSVDEBH-AOOOYVTPSA-N	-1	0	266.297	0.676	20	30		CCEDRM
Cc1c(F)cc(C(=O)[O-])cc1S(=O)(=O)N1CC(C#N)C1	ZINC000871967464	646199667	/nfs/dbraw/zinc/19/96/67/646199667.db2.gz	QXUDNHQDTPJBIP-UHFFFAOYSA-N	-1	0	298.295	0.976	20	30		CCEDRM
N#CC1CN(S(=O)(=O)c2cccc(CC(=O)[O-])c2)C1	ZINC000871967472	646200616	/nfs/dbraw/zinc/20/06/16/646200616.db2.gz	RHAGUERWHMMZNZ-UHFFFAOYSA-N	-1	0	280.305	0.458	20	30		CCEDRM
C[C@H](C#N)Cn1[n-]c2c(c1=O)CC1(CC2)OCCO1	ZINC000887284909	648087354	/nfs/dbraw/zinc/08/73/54/648087354.db2.gz	DSFMAUYTLVGFSH-ZJUUUORDSA-N	-1	0	263.297	0.887	20	30		CCEDRM
N#C[C@H]1CN(C(=O)c2cccc(F)c2[O-])CCO1	ZINC000932148917	649053517	/nfs/dbraw/zinc/05/35/17/649053517.db2.gz	KRVOVYJBHVOQFY-QMMMGPOBSA-N	-1	0	250.229	0.896	20	30		CCEDRM
N#C[C@H]1CCCN(Cc2cc(=O)n3[n-]ccc3n2)C1	ZINC000932153181	649054019	/nfs/dbraw/zinc/05/40/19/649054019.db2.gz	XFKJHJWZKGBBPP-SNVBAGLBSA-N	-1	0	257.297	0.758	20	30		CCEDRM
N#Cc1ccc(S(=O)(=O)[N-]C(=O)[C@H]2COCCO2)cc1	ZINC000048503997	649322102	/nfs/dbraw/zinc/32/21/02/649322102.db2.gz	QNSUQOAXGGCPBT-LLVKDONJSA-N	-1	0	296.304	0.619	20	30		CCEDRM
C=CCN(CC(=O)[O-])C(=O)c1ncn(-c2ccccc2)n1	ZINC000191253809	649470247	/nfs/dbraw/zinc/47/02/47/649470247.db2.gz	XSRMHZMPFSGQJP-UHFFFAOYSA-N	-1	0	286.291	0.980	20	30		CCEDRM
COCCNC(=O)C(C#N)=C([O-])c1cccc(OC)c1	ZINC000193411552	649536920	/nfs/dbraw/zinc/53/69/20/649536920.db2.gz	JZDJCVBQWSTUAY-GFCCVEGCSA-N	-1	0	276.292	0.780	20	30		CCEDRM
COCCNC(=O)C(C#N)=C([O-])c1cc(C(C)(C)C)[nH]n1	ZINC000193426098	649538539	/nfs/dbraw/zinc/53/85/39/649538539.db2.gz	HWINCRWRJDPUOO-VIFPVBQESA-N	-1	0	292.339	0.792	20	30		CCEDRM
CC[C@@H](CNS(=O)(=O)c1cccc(C#N)c1)C(=O)[O-]	ZINC000087499634	649630228	/nfs/dbraw/zinc/63/02/28/649630228.db2.gz	MIULJTBIVURRQZ-JTQLQIEISA-N	-1	0	282.321	0.947	20	30		CCEDRM
C=CCN(CC(=O)[O-])C(=O)[C@@H](C)NC(=O)c1ccccc1	ZINC000092462273	649723788	/nfs/dbraw/zinc/72/37/88/649723788.db2.gz	NDLKRPITRXSQGM-LLVKDONJSA-N	-1	0	290.319	0.904	20	30		CCEDRM
C=CCN(CC(=O)[O-])C(=O)NCCn1ccnc1	ZINC000092467316	649724207	/nfs/dbraw/zinc/72/42/07/649724207.db2.gz	YSRRCNYMKXNKKT-UHFFFAOYSA-N	-1	0	252.274	0.165	20	30		CCEDRM
C[C@H]1CN=C(NC(=O)[C@@](C)(C#N)CC(=O)[O-])S1	ZINC001589407937	954479020	/nfs/dbraw/zinc/47/90/20/954479020.db2.gz	ZPXRGNFLLGEQLA-QUBYGPBYSA-N	-1	0	255.299	0.598	20	30		CCEDRM
C[C@@](O)(CNC(=O)c1csc(C#N)c1)C(=O)[O-]	ZINC001589147513	956309223	/nfs/dbraw/zinc/30/92/23/956309223.db2.gz	USFODRFBAMPCSY-SNVBAGLBSA-N	-1	0	254.267	0.185	20	30		CCEDRM
C=CCN1CCN(c2nccnc2CC(=O)[O-])CC1	ZINC001165032557	721870121	/nfs/dbraw/zinc/87/01/21/721870121.db2.gz	YNUAFGAYKABYAQ-UHFFFAOYSA-N	-1	0	262.313	0.412	20	30		CCEDRM
C=C[C@](C)(O)CC(=O)N1CC[C@H](C(=O)[O-])[C@H](C)C1	ZINC001588451138	958406098	/nfs/dbraw/zinc/40/60/98/958406098.db2.gz	NIORTOPRDQZBLR-NRUUGDAUSA-N	-1	0	255.314	0.883	20	30		CCEDRM
C=CCC(C)(C)C(=O)N(C)C1CN(Cc2n[nH]c(=O)[n-]2)C1	ZINC001277666009	805938992	/nfs/dbraw/zinc/93/89/92/805938992.db2.gz	KDLSUGJKKIOATL-UHFFFAOYSA-N	-1	0	293.371	0.755	20	30		CCEDRM
N#CCNCCCNC(=O)c1n[n-]c2ccccc2c1=O	ZINC001167492490	791314123	/nfs/dbraw/zinc/31/41/23/791314123.db2.gz	XEXMCNSMBNTQTB-UHFFFAOYSA-N	-1	0	285.307	0.568	20	30		CCEDRM
C=CCn1c(-c2cc(=O)[nH][n-]2)nnc1N1C[C@H](C)[C@H](C)C1	ZINC001121561749	799057643	/nfs/dbraw/zinc/05/76/43/799057643.db2.gz	NINDFBIWAKGCNR-AOOOYVTPSA-N	-1	0	288.355	0.780	20	30		CCEDRM
N#CC(C(=O)NC1CC1)=C([O-])c1ccn(C(F)F)n1	ZINC001122499318	799250136	/nfs/dbraw/zinc/25/01/36/799250136.db2.gz	GZRGINIZVMWIGJ-ZETCQYMHSA-N	-1	0	268.223	0.879	20	30		CCEDRM
C=C(C)[C@@H]1OCC[C@@H]1C(=O)NC[C@H](C(=O)[O-])[C@@H]1CCOC1	ZINC001123294943	799385681	/nfs/dbraw/zinc/38/56/81/799385681.db2.gz	BUUDPWNCOLRNDC-VOAKCMCISA-N	-1	0	297.351	0.821	20	30		CCEDRM
C=CCO[N-]C(=O)[C@@H](C)NC(=O)c1[nH]nc2ccccc21	ZINC001140880015	799956965	/nfs/dbraw/zinc/95/69/65/799956965.db2.gz	VURCXVQIJKPDBJ-SECBINFHSA-N	-1	0	288.307	0.915	20	30		CCEDRM
N#CCN(C(=O)c1cccc(-n2[n-]nnc2=N)c1)C1CC1	ZINC001142370494	800119383	/nfs/dbraw/zinc/11/93/83/800119383.db2.gz	BRWSCTNDEGLGGW-UHFFFAOYSA-N	-1	0	283.295	0.203	20	30		CCEDRM
N#CCCC(=O)Nc1ncc(Br)[nH]c1=O	ZINC001143202276	800206491	/nfs/dbraw/zinc/20/64/91/800206491.db2.gz	AUOWVQZAGPXPQY-UHFFFAOYSA-N	-1	0	271.074	0.775	20	30		CCEDRM
C=CC(=O)N(C)CC(=O)Nc1cc(C#N)ccc1[O-]	ZINC001153000413	800578662	/nfs/dbraw/zinc/57/86/62/800578662.db2.gz	SLUVLLAPASFHFP-UHFFFAOYSA-N	-1	0	259.265	0.847	20	30		CCEDRM
N#Cc1c(Cl)ncnc1N[C@@H]1SC(=O)[N-]C1=O	ZINC001155836744	801062467	/nfs/dbraw/zinc/06/24/67/801062467.db2.gz	GJESUBYSEZQFEQ-SSDOTTSWSA-N	-1	0	269.673	0.723	20	30		CCEDRM
Cc1nsc([N-]S(=O)(=O)c2cnn(C)c2)c1C#N	ZINC001259819949	808774821	/nfs/dbraw/zinc/77/48/21/808774821.db2.gz	LUDXRGZHJVDJSM-UHFFFAOYSA-N	-1	0	283.338	0.858	20	30		CCEDRM
N#Cc1ccnnc1[N-]S(=O)(=O)C1CCOCC1	ZINC001259909115	808797572	/nfs/dbraw/zinc/79/75/72/808797572.db2.gz	WQORKBFJIKANOB-UHFFFAOYSA-N	-1	0	268.298	0.269	20	30		CCEDRM
N#Cc1nc(NC(=O)c2cccc3ncnn32)[n-]c1C#N	ZINC001163737181	802601254	/nfs/dbraw/zinc/60/12/54/802601254.db2.gz	JLZOGLGECMKLGE-UHFFFAOYSA-N	-1	0	278.235	0.448	20	30		CCEDRM
N#Cc1cncc([N-]S(=O)(=O)c2cncc(N)c2)c1	ZINC001210085268	803638215	/nfs/dbraw/zinc/63/82/15/803638215.db2.gz	NVSWZQMURDXQLX-UHFFFAOYSA-N	-1	0	275.293	0.731	20	30		CCEDRM
N#Cc1ncccc1[N-]S(=O)(=O)c1cncc(N)c1	ZINC001210145867	803639678	/nfs/dbraw/zinc/63/96/78/803639678.db2.gz	YGGHIVFSGLPICY-UHFFFAOYSA-N	-1	0	275.293	0.731	20	30		CCEDRM
N#Cc1cc(NC(=O)[C@@H]2CNC(=O)N2)c([O-])cc1F	ZINC001219068032	804190087	/nfs/dbraw/zinc/19/00/87/804190087.db2.gz	DWUUHGAYMDZTMW-QMMMGPOBSA-N	-1	0	264.216	0.023	20	30		CCEDRM
COC(=O)[C@@H](N)CCC(=O)Nc1cc(C#N)c(F)cc1[O-]	ZINC001219068384	804190302	/nfs/dbraw/zinc/19/03/02/804190302.db2.gz	RQGNKXZQSYMWJI-VIFPVBQESA-N	-1	0	295.270	0.622	20	30		CCEDRM
C=CCC[C@@H](NC(=O)COc1cc(C)on1)C(=O)[O-]	ZINC000315854156	804652471	/nfs/dbraw/zinc/65/24/71/804652471.db2.gz	HQTWSFRCBXAVGG-SECBINFHSA-N	-1	0	268.269	0.897	20	30		CCEDRM
C=CCC[C@@H](NC(=O)NCc1ccnn1C)C(=O)[O-]	ZINC000315951523	804659778	/nfs/dbraw/zinc/65/97/78/804659778.db2.gz	VCYBWPIFFFDONX-SNVBAGLBSA-N	-1	0	266.301	0.639	20	30		CCEDRM
C=CCOC[C@@H](CS(=O)(=O)[O-])OCc1ncccn1	ZINC001222261651	804887719	/nfs/dbraw/zinc/88/77/19/804887719.db2.gz	FIERJKUGGMFMHB-JTQLQIEISA-N	-1	0	288.325	0.452	20	30		CCEDRM
N#Cc1ccc(C(=O)NC23CC(C(N)=O)(C2)C3)c([O-])c1	ZINC001276864761	804953905	/nfs/dbraw/zinc/95/39/05/804953905.db2.gz	IFBNDUUTHJNWMG-UHFFFAOYSA-N	-1	0	271.276	0.402	20	30		CCEDRM
N#Cc1ccc(C(=O)N2CCC3(C[C@H]3C(N)=O)CC2)c([O-])c1	ZINC001276865340	804956414	/nfs/dbraw/zinc/95/64/14/804956414.db2.gz	WQZIGAOADLPDMX-LBPRGKRZSA-N	-1	0	299.330	0.991	20	30		CCEDRM
N#Cc1ccc(OCCOC(=O)[C@H](O)CC(=O)[O-])cc1	ZINC001224287172	805021830	/nfs/dbraw/zinc/02/18/30/805021830.db2.gz	UWBHRYIZWBDCBG-LLVKDONJSA-N	-1	0	279.248	0.316	20	30		CCEDRM
C=CCOC[C@H](CS(=O)(=O)[O-])OC[C@@H]1CCOC1	ZINC001224483271	805041883	/nfs/dbraw/zinc/04/18/83/805041883.db2.gz	YTVJSRCYEBETBT-GHMZBOCLSA-N	-1	0	280.342	0.499	20	30		CCEDRM
CC[C@H]1OC(C)=C(OCCCS(=O)(=O)[O-])C1=O	ZINC001224899130	805090570	/nfs/dbraw/zinc/09/05/70/805090570.db2.gz	ODAPONAAPFHCJM-MRVPVSSYSA-N	-1	0	264.299	0.890	20	30		CCEDRM
C=CCOC[C@H](CS(=O)(=O)[O-])Oc1cncnc1	ZINC001225460094	805131654	/nfs/dbraw/zinc/13/16/54/805131654.db2.gz	PMEUKERHEULAQI-SNVBAGLBSA-N	-1	0	274.298	0.314	20	30		CCEDRM
CCOC(=O)c1c[nH]c(=O)nc1O[C@@H]1CCN(CC#N)C1	ZINC001225898911	805175434	/nfs/dbraw/zinc/17/54/34/805175434.db2.gz	FYRJYIKXFXUFTC-SECBINFHSA-N	-1	0	292.295	0.336	20	30		CCEDRM
N#Cc1c(F)cccc1OC(=O)[C@H](O)CCC(=O)[O-]	ZINC001225975673	805182999	/nfs/dbraw/zinc/18/29/99/805182999.db2.gz	TYKXPLBUVLZADR-SECBINFHSA-N	-1	0	267.212	0.828	20	30		CCEDRM
N#Cc1cc(F)c(=O)[n-]c1OC[C@H]1COCCO1	ZINC001226013851	805185515	/nfs/dbraw/zinc/18/55/15/805185515.db2.gz	RPKWAEYOOSIOTC-MRVPVSSYSA-N	-1	0	254.217	0.592	20	30		CCEDRM
CC(=O)OC[C@@H](COc1nccc(/C=N/O)n1)OC(C)=O	ZINC001226252869	805212072	/nfs/dbraw/zinc/21/20/72/805212072.db2.gz	BBFNFEGCHTUYJZ-MUKINBEESA-N	-1	0	297.267	0.158	20	30		CCEDRM
C=CCOC[C@@H](CS(=O)(=O)[O-])Oc1ccnn1C	ZINC001226398558	805226689	/nfs/dbraw/zinc/22/66/89/805226689.db2.gz	RDANCRKJXLHUQH-VIFPVBQESA-N	-1	0	276.314	0.258	20	30		CCEDRM
C#C[C@@H](C)Oc1nc(=O)[n-]c(C(=O)OC)c1[N+](=O)[O-]	ZINC001226649997	805261901	/nfs/dbraw/zinc/26/19/01/805261901.db2.gz	MSEMANOOJSUKFY-RXMQYKEDSA-N	-1	0	267.197	0.278	20	30		CCEDRM
N#CCN1CC[C@H](Oc2nc3ncnc-3c(S)[n-]2)C1	ZINC001226784219	805281938	/nfs/dbraw/zinc/28/19/38/805281938.db2.gz	FJUJYLZDTQRYHP-ZETCQYMHSA-N	-1	0	276.325	0.618	20	30		CCEDRM
CC[C@H](C#CC(=O)OC)Oc1cc(=O)[n-]c(OC)n1	ZINC001227002253	805308183	/nfs/dbraw/zinc/30/81/83/805308183.db2.gz	OLBDSJXEQYPJAB-MRVPVSSYSA-N	-1	0	266.253	0.525	20	30		CCEDRM
N#CCN1CC[C@H](Oc2[n-]c(=O)nc3[nH]ccc32)C1	ZINC001227270134	805339101	/nfs/dbraw/zinc/33/91/01/805339101.db2.gz	CXLDWIISQMJPDE-QMMMGPOBSA-N	-1	0	259.269	0.640	20	30		CCEDRM
N#Cc1ccc(OC(=O)[C@@H](O)CC(=O)[O-])c([N+](=O)[O-])c1	ZINC001227292998	805340725	/nfs/dbraw/zinc/34/07/25/805340725.db2.gz	ZRWQXJVNTGHLMC-QMMMGPOBSA-N	-1	0	280.192	0.207	20	30		CCEDRM
Cc1cc(OC(=O)[C@H](O)CC(=O)[O-])cnc1C#N	ZINC001227345680	805343331	/nfs/dbraw/zinc/34/33/31/805343331.db2.gz	BXCZNSLNBFSHOU-SECBINFHSA-N	-1	0	250.210	0.003	20	30		CCEDRM
CCC1=C(Oc2nc(O)cc(=O)[n-]2)C(=O)[C@@H](C)O1	ZINC001228387447	805442710	/nfs/dbraw/zinc/44/27/10/805442710.db2.gz	AKLFZGDLKRUWKP-RXMQYKEDSA-N	-1	0	252.226	0.876	20	30		CCEDRM
N#Cc1ccc(=O)[n-]c1OC1CCS(=O)(=O)CC1	ZINC001228898506	805487861	/nfs/dbraw/zinc/48/78/61/805487861.db2.gz	IHTYKRRXZAISDI-UHFFFAOYSA-N	-1	0	268.294	0.615	20	30		CCEDRM
N#CC1(c2ccc(OC(=O)[C@@H](O)CC(=O)[O-])cc2)CC1	ZINC001229938996	805568141	/nfs/dbraw/zinc/56/81/41/805568141.db2.gz	SIFUAEYPXZIVGQ-NSHDSACASA-N	-1	0	275.260	0.983	20	30		CCEDRM
COc1nc(-c2cnn(CC(=O)[O-])c2)ccc1C#N	ZINC001242181450	806993984	/nfs/dbraw/zinc/99/39/84/806993984.db2.gz	BMHGPRYGVKOLKV-UHFFFAOYSA-N	-1	0	258.237	0.910	20	30		CCEDRM
C=CCCCNC(=S)N[C@@H]1SC(=O)[N-]C1=O	ZINC001247776066	807489261	/nfs/dbraw/zinc/48/92/61/807489261.db2.gz	OYBCXCZNYFBXFJ-SSDOTTSWSA-N	-1	0	259.356	0.726	20	30		CCEDRM
C=CCC[C@H](O)CNc1ccc2c(c1)S(=O)(=O)[N-]C2=O	ZINC001252608945	807918691	/nfs/dbraw/zinc/91/86/91/807918691.db2.gz	LDROJXWONWSITA-JTQLQIEISA-N	-1	0	296.348	0.858	20	30		CCEDRM
COc1cc(C#N)c([N-]S(C)(=O)=O)cc1OC	ZINC001252712515	807950077	/nfs/dbraw/zinc/95/00/77/807950077.db2.gz	HOGKDCZDSKWNEZ-UHFFFAOYSA-N	-1	0	256.283	0.947	20	30		CCEDRM
C#Cc1nccnc1[N-]S(=O)(=O)CC(F)(F)F	ZINC001253113667	808005333	/nfs/dbraw/zinc/00/53/33/808005333.db2.gz	YAWBWRGHSAIFQV-UHFFFAOYSA-N	-1	0	265.216	0.762	20	30		CCEDRM
CCCCS(=O)(=O)[N-]c1ncnc(OC)c1C#N	ZINC001253793330	808143874	/nfs/dbraw/zinc/14/38/74/808143874.db2.gz	MMZCNMRFPKVMLG-UHFFFAOYSA-N	-1	0	270.314	0.899	20	30		CCEDRM
C#CC[S@@](=O)Cc1cn([C@H](C(=O)[O-])[C@@H](C)CC)nn1	ZINC001254088790	808179269	/nfs/dbraw/zinc/17/92/69/808179269.db2.gz	KBHADFOOCHBPSL-MQYCPVHVSA-N	-1	0	283.353	0.832	20	30		CCEDRM
C#Cc1ccc([N-]S(=O)(=O)c2cn(C)cn2)cn1	ZINC001258994211	808709816	/nfs/dbraw/zinc/70/98/16/808709816.db2.gz	PYFQQBSGCXWQTM-UHFFFAOYSA-N	-1	0	262.294	0.597	20	30		CCEDRM
Cn1cnc([N-]S(=O)(=O)C2CCCC2)c1C#N	ZINC001259794642	808770570	/nfs/dbraw/zinc/77/05/70/808770570.db2.gz	KLMKBSAVPOYLCV-UHFFFAOYSA-N	-1	0	254.315	0.976	20	30		CCEDRM
Cn1cc(S(=O)(=O)[N-]c2cccc(C#N)n2)cn1	ZINC001259820743	808775653	/nfs/dbraw/zinc/77/56/53/808775653.db2.gz	NURDARYXDMITJB-UHFFFAOYSA-N	-1	0	263.282	0.488	20	30		CCEDRM
C[C@H]1C[C@@H](C(=O)[O-])CCC1=NN1CC(=O)N(C)C1=O	ZINC001261236782	808935015	/nfs/dbraw/zinc/93/50/15/808935015.db2.gz	WJWXGWYSOXCGKX-YUMQZZPRSA-N	-1	0	267.285	0.757	20	30		CCEDRM
C=CCCC(=O)N1CCN([C@]2(C(=O)[O-])CCOC2)CC1	ZINC001261843374	809106024	/nfs/dbraw/zinc/10/60/24/809106024.db2.gz	DPQNQHBEWBTJCP-CQSZACIVSA-N	-1	0	282.340	0.341	20	30		CCEDRM
C[C@H](CCNS(=O)(=O)c1ccc(C#N)nc1)C(=O)[O-]	ZINC000159666075	815263099	/nfs/dbraw/zinc/26/30/99/815263099.db2.gz	RKXPXSJGYMZZNG-MRVPVSSYSA-N	-1	0	283.309	0.342	20	30		CCEDRM
C#CC[C@H](NC(=O)[C@H]1CCN(CC(F)(F)F)C1)C(=O)[O-]	ZINC001262178034	809224488	/nfs/dbraw/zinc/22/44/88/809224488.db2.gz	OHEPDAWQORRZEJ-IUCAKERBSA-N	-1	0	292.257	0.463	20	30		CCEDRM
Cn1c(=O)[n-]c(NCCOC2CCCC2)c(C#N)c1=O	ZINC001262679585	809392014	/nfs/dbraw/zinc/39/20/14/809392014.db2.gz	UMGVLXLYEAZNNY-UHFFFAOYSA-N	-1	0	278.312	0.316	20	30		CCEDRM
C#CCN(C)c1nnc(-c2cc(=O)[nH]c(C)n2)n1CC	ZINC001263010291	809427067	/nfs/dbraw/zinc/42/70/67/809427067.db2.gz	SVMAEDSQQXNJJA-UHFFFAOYSA-N	-1	0	272.312	0.838	20	30		CCEDRM
CCc1cc(C([O-])=C(C#N)C(=O)NCCOC)n[nH]1	ZINC001263375178	809514140	/nfs/dbraw/zinc/51/41/40/809514140.db2.gz	HPQNYTCFYBJVAL-VIFPVBQESA-N	-1	0	264.285	0.057	20	30		CCEDRM
C=CCOC[C@H](CS(=O)(=O)[O-])OC[C@@H]1CCCOC1	ZINC001224648665	815398183	/nfs/dbraw/zinc/39/81/83/815398183.db2.gz	CYNOUPVIGNMCGY-VXGBXAGGSA-N	-1	0	294.369	0.889	20	30		CCEDRM
Cc1ccc(N=C(NO)c2nonc2N)cc1C(=O)[O-]	ZINC001211594311	811092829	/nfs/dbraw/zinc/09/28/29/811092829.db2.gz	RPFMYYOMHIBRTC-UHFFFAOYSA-N	-1	0	277.240	0.716	20	30		CCEDRM
CCOC(=O)[C@@H](C#C[Si](C)(C)C)OCc1nnn[n-]1	ZINC001223026962	812073929	/nfs/dbraw/zinc/07/39/29/812073929.db2.gz	KOYOTCNKCIUACL-SECBINFHSA-N	-1	0	282.376	0.529	20	30		CCEDRM
C=CCN1C[C@@H](NC(=O)c2ccccc2O)[C@@H](O)C1	ZINC001083347240	812899252	/nfs/dbraw/zinc/89/92/52/812899252.db2.gz	SRIQZABGQSQPTH-YPMHNXCESA-N	-1	0	262.309	0.353	20	30		CCEDRM
C=CCOC[C@H](CS(=O)(=O)[O-])Oc1cccc[n+]1[O-]	ZINC001226796983	814155610	/nfs/dbraw/zinc/15/56/10/814155610.db2.gz	QGOUUUIXYGTIHG-SNVBAGLBSA-N	-1	0	289.309	0.158	20	30		CCEDRM
N#CC(C(=O)NC1CC1)=C([O-])c1cc(C2CC2)[nH]n1	ZINC000129501614	815643294	/nfs/dbraw/zinc/64/32/94/815643294.db2.gz	WYGUGQIQNDIHFT-SECBINFHSA-N	-1	0	258.281	0.888	20	30		CCEDRM
N#Cc1ccc(C(=O)NCc2nc([O-])cc(=O)[nH]2)[nH]1	ZINC001168431060	816289142	/nfs/dbraw/zinc/28/91/42/816289142.db2.gz	QWGLZBNDLCCXOK-UHFFFAOYSA-N	-1	0	259.225	0.018	20	30		CCEDRM
C#CCO[N-]C(=O)CN(C)c1ccc(Cl)cn1	ZINC000700613427	818821920	/nfs/dbraw/zinc/82/19/20/818821920.db2.gz	XYNKQTYBCWZYAT-UHFFFAOYSA-N	-1	0	253.689	0.852	20	30		CCEDRM
C=CCCS(=O)(=O)N1CCC[C@](OC)(C(=O)[O-])C1	ZINC000710623441	819858390	/nfs/dbraw/zinc/85/83/90/819858390.db2.gz	XSEHPXNYWCKXHN-LLVKDONJSA-N	-1	0	277.342	0.458	20	30		CCEDRM
C=CCOCC(=O)[N-]S(=O)(=O)CC=C(Cl)Cl	ZINC001119496028	821340170	/nfs/dbraw/zinc/34/01/70/821340170.db2.gz	FPCZTRNHWBSBSM-UHFFFAOYSA-N	-1	0	288.152	0.954	20	30		CCEDRM
Cc1nc(C)c(C(=O)[N-]S(=O)(=O)CC2(C#N)CC2)o1	ZINC000793198089	837403957	/nfs/dbraw/zinc/40/39/57/837403957.db2.gz	VYKLAQXFXCLOKR-UHFFFAOYSA-N	-1	0	283.309	0.655	20	30		CCEDRM
N#C[C@H](Nc1[nH]c(=O)c(Cl)cc1Cl)C(N)=O	ZINC001170530970	837972619	/nfs/dbraw/zinc/97/26/19/837972619.db2.gz	GLABXWRWRNWSIF-YFKPBYRVSA-N	-1	0	261.068	0.883	20	30		CCEDRM
C=CC[C@H](Nc1cncc(C(=O)[O-])n1)C(=O)OC	ZINC001169834476	836454103	/nfs/dbraw/zinc/45/41/03/836454103.db2.gz	RMPZJEPWRGKRTD-ZETCQYMHSA-N	-1	0	251.242	0.704	20	30		CCEDRM
O=C(CCC(=O)N1C[C@@H]2COC[C@H](C1)C2=O)C1=CC=C[CH]1	ZINC001184244945	844187426	/nfs/dbraw/zinc/18/74/26/844187426.db2.gz	HNCJJNIISXEMQM-BETUJISGSA-N	-1	0	288.323	0.710	20	30		CCEDRM
COC(=O)[C@@H](NC(=O)CCC(=O)C1=CC=C[CH]1)[C@@H](C)O	ZINC001184245064	844187665	/nfs/dbraw/zinc/18/76/65/844187665.db2.gz	YUEKUQWBSINJDH-RNCFNFMXSA-N	-1	0	280.300	0.075	20	30		CCEDRM
O=C(CCC(=O)C1=CC=C[CH]1)NC1CC(CO)(CO)C1	ZINC001184245096	844187824	/nfs/dbraw/zinc/18/78/24/844187824.db2.gz	ZLUXQQNYVBEVCA-UHFFFAOYSA-N	-1	0	278.328	0.286	20	30		CCEDRM
C=C[C@@H](CO)NC(=O)c1nc(SC)ncc1[O-]	ZINC001185187744	844354962	/nfs/dbraw/zinc/35/49/62/844354962.db2.gz	GQWBHZXYUZBUOO-LURJTMIESA-N	-1	0	255.299	0.181	20	30		CCEDRM
C#CCNC(=O)c1ccccc1NC(=O)c1c[n-]ncc1=O	ZINC001136510359	839642291	/nfs/dbraw/zinc/64/22/91/839642291.db2.gz	WCQYGLPOQCQZLC-UHFFFAOYSA-N	-1	0	296.286	0.798	20	30		CCEDRM
O=C(C=CC(=O)c1ccccc1)NCc1n[nH]c(=O)[n-]1	ZINC001144714382	840121872	/nfs/dbraw/zinc/12/18/72/840121872.db2.gz	RCXUMCBTOKSXSU-VOTSOKGWSA-N	-1	0	272.264	0.566	20	30		CCEDRM
C[C@H](C#N)NS(=O)(=O)c1ccc(F)c(C(=O)[O-])c1	ZINC001186210115	844526493	/nfs/dbraw/zinc/52/64/93/844526493.db2.gz	ZHWSHHALSPGQIF-ZCFIWIBFSA-N	-1	0	272.257	0.714	20	30		CCEDRM
C=C[C@H](O)C(=O)Nc1ccc(OCc2nnn[n-]2)cc1	ZINC001147000477	840442397	/nfs/dbraw/zinc/44/23/97/840442397.db2.gz	JQNAHNSDNKZTFX-JTQLQIEISA-N	-1	0	275.268	0.264	20	30		CCEDRM
C[C@H](C#N)c1cccc(C(=O)N[C@@H]2CO[N-]C2=O)c1	ZINC001148622080	840869394	/nfs/dbraw/zinc/86/93/94/840869394.db2.gz	CRMHLWCHXMMFNA-LDYMZIIASA-N	-1	0	259.265	0.473	20	30		CCEDRM
N#Cc1c(N)nn(-c2ccc(C(=O)[O-])c(F)c2)c1N	ZINC001175162022	842232121	/nfs/dbraw/zinc/23/21/21/842232121.db2.gz	WIDUJXPBJNBMDO-UHFFFAOYSA-N	-1	0	261.216	0.746	20	30		CCEDRM
CO/N=C(\C(=O)N[C@H]1SC(=O)[N-]C1=O)c1ccco1	ZINC001177353525	842563290	/nfs/dbraw/zinc/56/32/90/842563290.db2.gz	PCSIMQROZZMDEQ-FVNYMESBSA-N	-1	0	283.265	0.055	20	30		CCEDRM
N#C[C@H](Cc1cccs1)C(=O)NCc1n[nH]c(=O)[n-]1	ZINC001177914823	842707111	/nfs/dbraw/zinc/70/71/11/842707111.db2.gz	FAGKELFGKRGYRW-ZETCQYMHSA-N	-1	0	277.309	0.570	20	30		CCEDRM
N#Cc1cc(NC(=O)COCCO)c([O-])cc1F	ZINC001181794510	843614062	/nfs/dbraw/zinc/61/40/62/843614062.db2.gz	GNIAXVUSNRQBNW-UHFFFAOYSA-N	-1	0	254.217	0.350	20	30		CCEDRM
C#CC(C)(C)C(=O)N[C@@H](CCC(=O)[O-])C(=O)OC	ZINC001182638643	843870148	/nfs/dbraw/zinc/87/01/48/843870148.db2.gz	DWMWWTOIJFBGQV-QMMMGPOBSA-N	-1	0	255.270	0.168	20	30		CCEDRM
Cc1nc(C#N)cnc1[N-]S(=O)(=O)c1nccs1	ZINC001187854011	844783662	/nfs/dbraw/zinc/78/36/62/844783662.db2.gz	YMOCOPNBTMHGTG-UHFFFAOYSA-N	-1	0	281.322	0.914	20	30		CCEDRM
Cn1ncc([N-]S(=O)(=O)c2nccs2)c1C#N	ZINC001187861519	844785918	/nfs/dbraw/zinc/78/59/18/844785918.db2.gz	ZRVMRFZIABFVLS-UHFFFAOYSA-N	-1	0	269.311	0.549	20	30		CCEDRM
CCCCCCCCS(=O)(=O)N[C@@H]1CO[N-]C1=O	ZINC001188019897	844821848	/nfs/dbraw/zinc/82/18/48/844821848.db2.gz	JVSDLSVYLLOGAS-SNVBAGLBSA-N	-1	0	278.374	0.696	20	30		CCEDRM
C#Cc1cnc(NC(=O)c2ccncc2[O-])c(C#C)n1	ZINC001188628549	844938761	/nfs/dbraw/zinc/93/87/61/844938761.db2.gz	FCDUNMVYKXAWMK-UHFFFAOYSA-N	-1	0	264.244	0.792	20	30		CCEDRM
COC(=O)n1ncc(C#N)c1[N-]S(=O)(=O)CC1CC1	ZINC001188994567	845018167	/nfs/dbraw/zinc/01/81/67/845018167.db2.gz	SGRZCSDMDDZITF-UHFFFAOYSA-N	-1	0	284.297	0.521	20	30		CCEDRM
N#Cc1c(N)nn(-c2ccc(C(=O)[O-])cc2F)c1N	ZINC001203286368	845225529	/nfs/dbraw/zinc/22/55/29/845225529.db2.gz	FDWWDJVEHGWNCN-UHFFFAOYSA-N	-1	0	261.216	0.746	20	30		CCEDRM
CC(C)C#CC(=O)N1CC[C@H](N(C)Cc2n[nH]c(=O)[n-]2)C1	ZINC001190053061	845316133	/nfs/dbraw/zinc/31/61/33/845316133.db2.gz	DDTFVBTXLURXOT-NSHDSACASA-N	-1	0	291.355	0.202	20	30		CCEDRM
Cn1nnnc1[N-]S(=O)(=O)c1cc(C#N)ccc1F	ZINC001190608166	845444062	/nfs/dbraw/zinc/44/40/62/845444062.db2.gz	KFLSJUJMDIMALS-UHFFFAOYSA-N	-1	0	282.260	0.022	20	30		CCEDRM
C=CCN1CCC[C@H]1CNS(=O)(=O)c1ncc[n-]1	ZINC001190755259	845471982	/nfs/dbraw/zinc/47/19/82/845471982.db2.gz	NQMJPRSMLVENRR-JTQLQIEISA-N	-1	0	270.358	0.338	20	30		CCEDRM
CC(C)(O)C#Cc1ccc(C(=O)NCS(=O)(=O)[O-])cc1	ZINC001191188495	845613615	/nfs/dbraw/zinc/61/36/15/845613615.db2.gz	FETNJUZJGYOFFC-UHFFFAOYSA-N	-1	0	297.332	0.384	20	30		CCEDRM
COC(=O)c1ccc([O-])c(C(=O)N2CCOC[C@@H]2C#N)c1	ZINC001192385922	845834607	/nfs/dbraw/zinc/83/46/07/845834607.db2.gz	IQNIKEQNFVKJAT-JTQLQIEISA-N	-1	0	290.275	0.543	20	30		CCEDRM
N#CCS(=O)(=O)[N-]c1cccnc1N1CCCC1	ZINC001192935516	845942171	/nfs/dbraw/zinc/94/21/71/845942171.db2.gz	VQDWOESWGBQHFG-UHFFFAOYSA-N	-1	0	266.326	0.947	20	30		CCEDRM
Cc1cc(S(C)(=O)=O)ccc1[N-]S(=O)(=O)CC#N	ZINC001192982375	845943130	/nfs/dbraw/zinc/94/31/30/845943130.db2.gz	ONFJHBLMDJKQJW-UHFFFAOYSA-N	-1	0	288.350	0.664	20	30		CCEDRM
N#CCS(=O)(=O)[N-]c1ccc2c(c1)NC(=O)C2=O	ZINC001192982308	845943602	/nfs/dbraw/zinc/94/36/02/845943602.db2.gz	NXWDVVGERBGOOF-UHFFFAOYSA-N	-1	0	265.250	0.087	20	30		CCEDRM
CN1Cc2cccc([N-]S(=O)(=O)CC#N)c2C1=O	ZINC001192986277	845944564	/nfs/dbraw/zinc/94/45/64/845944564.db2.gz	VVRBQNRRIGUPIV-UHFFFAOYSA-N	-1	0	265.294	0.537	20	30		CCEDRM
C[C@@H](C#N)S(=O)(=O)Nc1cc(=O)[n-]c(Cl)n1	ZINC001193105975	845979907	/nfs/dbraw/zinc/97/99/07/845979907.db2.gz	ACRLMUOLYJMWCA-BYPYZUCNSA-N	-1	0	262.678	0.489	20	30		CCEDRM
CCOC(=O)C(C)(C)S(=O)(=O)[N-]c1cncc(C#N)n1	ZINC001193016744	845967170	/nfs/dbraw/zinc/96/71/70/845967170.db2.gz	GQEKTAUFIMFYQB-UHFFFAOYSA-N	-1	0	298.324	0.432	20	30		CCEDRM
COc1cc([N-]S(=O)(=O)[C@@H](C)C#N)nc(OC)n1	ZINC001193105703	845978253	/nfs/dbraw/zinc/97/82/53/845978253.db2.gz	ZYVPJLXJQKZELN-LURJTMIESA-N	-1	0	272.286	0.148	20	30		CCEDRM
C[C@H](C#N)S(=O)(=O)[N-]c1nc(Cl)ccc1C(N)=O	ZINC001193104265	845979251	/nfs/dbraw/zinc/97/92/51/845979251.db2.gz	GXEFSTFEUMLSDA-RXMQYKEDSA-N	-1	0	288.716	0.488	20	30		CCEDRM
C[C@H](C#N)S(=O)(=O)[N-]c1c(C#N)cnc2ccnn21	ZINC001193104911	845979436	/nfs/dbraw/zinc/97/94/36/845979436.db2.gz	NZELBUDNMCSGID-SSDOTTSWSA-N	-1	0	276.281	0.255	20	30		CCEDRM
C[C@H](C#N)S(=O)(=O)[N-]c1cc([C@H](C)O)ccn1	ZINC001193112401	845981622	/nfs/dbraw/zinc/98/16/22/845981622.db2.gz	SRUDHGMYTGRRGH-SFYZADRCSA-N	-1	0	255.299	0.789	20	30		CCEDRM
C[C@@H](C#N)S(=O)(=O)[N-]c1ccc(CO)cc1F	ZINC001193146680	846005410	/nfs/dbraw/zinc/00/54/10/846005410.db2.gz	QKWPOFLWMWALCM-ZETCQYMHSA-N	-1	0	258.274	0.972	20	30		CCEDRM
C[C@@H](C#N)S(=O)(=O)[N-]c1ccccc1-n1cncn1	ZINC001193149988	846006466	/nfs/dbraw/zinc/00/64/66/846006466.db2.gz	UMKJAMQFBHPKSB-VIFPVBQESA-N	-1	0	277.309	0.921	20	30		CCEDRM
C[C@@H](C#N)S(=O)(=O)[N-]c1ccc2c(c1)CCNC2=O	ZINC001193151983	846006579	/nfs/dbraw/zinc/00/65/79/846006579.db2.gz	XZMXNXUNYMGNGP-QMMMGPOBSA-N	-1	0	279.321	0.626	20	30		CCEDRM
C[C@H](C#N)S(=O)(=O)[N-]c1ccc2c(c1)CCN(C)C2=O	ZINC001193161089	846009779	/nfs/dbraw/zinc/00/97/79/846009779.db2.gz	LAVRXQDBYDGFQM-SECBINFHSA-N	-1	0	293.348	0.968	20	30		CCEDRM
C[C@@H](C#N)S(=O)(=O)[N-]C1(C(F)(F)F)COC1	ZINC001193195386	846014435	/nfs/dbraw/zinc/01/44/35/846014435.db2.gz	ZZZDHKGSIVXSRH-YFKPBYRVSA-N	-1	0	258.221	0.149	20	30		CCEDRM
N#Cc1cc(C(=O)n2c(N)csc2=N)ccc1[O-]	ZINC001193499682	846094255	/nfs/dbraw/zinc/09/42/55/846094255.db2.gz	UJRULNAJFFYKEX-UHFFFAOYSA-N	-1	0	260.278	0.877	20	30		CCEDRM
C=CCOC[C@H](CS(=O)(=O)[O-])OCCCC#N	ZINC001205632737	846095512	/nfs/dbraw/zinc/09/55/12/846095512.db2.gz	YADTVCSMOXQYLD-SNVBAGLBSA-N	-1	0	263.315	0.766	20	30		CCEDRM
CC(C)[C@@](C)(NC(=O)c1ccc([O-])c(C#N)c1)C(N)=O	ZINC001193513070	846102956	/nfs/dbraw/zinc/10/29/56/846102956.db2.gz	ZCOLFODYFMCDGA-CQSZACIVSA-N	-1	0	275.308	0.894	20	30		CCEDRM
N#Cc1cccc(C(=O)n2c(N)c(F)ccc2=N)c1[O-]	ZINC001193634253	846131743	/nfs/dbraw/zinc/13/17/43/846131743.db2.gz	BLFCQEAGFVINAQ-UHFFFAOYSA-N	-1	0	272.239	0.955	20	30		CCEDRM
C[C@@H]1C(=O)NCCN1C(=O)c1cccc(C#N)c1[O-]	ZINC001193644339	846134947	/nfs/dbraw/zinc/13/49/47/846134947.db2.gz	VAJXSWCQDVYXNZ-MRVPVSSYSA-N	-1	0	259.265	0.224	20	30		CCEDRM
N#Cc1ccnnc1[N-]S(=O)(=O)c1ccccc1N	ZINC001193900182	846177950	/nfs/dbraw/zinc/17/79/50/846177950.db2.gz	HIWXEERXSQTXJR-UHFFFAOYSA-N	-1	0	275.293	0.731	20	30		CCEDRM
C#Cc1cnc(NC(=O)c2cc(=O)n(C)[n-]2)c(C#C)n1	ZINC001194188542	846236077	/nfs/dbraw/zinc/23/60/77/846236077.db2.gz	ABJHRYPSWPLLND-UHFFFAOYSA-N	-1	0	267.248	0.131	20	30		CCEDRM
CC1(C)C(=O)NC[C@H]1NC(=O)c1ccc(C#N)cc1[O-]	ZINC001195769133	846615208	/nfs/dbraw/zinc/61/52/08/846615208.db2.gz	WLMYTLDHCFJFGH-LLVKDONJSA-N	-1	0	273.292	0.518	20	30		CCEDRM
N#Cc1ccc(C(=O)N2CC[C@@H](O)[C@H](F)C2)c([O-])c1	ZINC001195740280	846619773	/nfs/dbraw/zinc/61/97/73/846619773.db2.gz	CBSDSESFLRJMGL-GHMZBOCLSA-N	-1	0	264.256	0.809	20	30		CCEDRM
CCOC(=O)CS(=O)(=O)[N-]c1ncccc1C#N	ZINC001195934384	846652990	/nfs/dbraw/zinc/65/29/90/846652990.db2.gz	SFBFXPRVTPKJOH-UHFFFAOYSA-N	-1	0	269.282	0.258	20	30		CCEDRM
CC[C@H](C#N)NS(=O)(=O)c1ccccc1C(=O)[O-]	ZINC001198808144	847177546	/nfs/dbraw/zinc/17/75/46/847177546.db2.gz	RLGZOBXGKOAOBU-MRVPVSSYSA-N	-1	0	268.294	0.965	20	30		CCEDRM
CN(C)S(=O)(=O)[N-]C(=O)c1ccc(N)c([N+](=O)[O-])c1	ZINC000048868700	847761093	/nfs/dbraw/zinc/76/10/93/847761093.db2.gz	LHWMTADAVVZUCW-UHFFFAOYSA-N	-1	0	288.285	0.288	20	30		CCEDRM
C=C[C@](C)(O)CNc1ccc(S(=O)(=O)[N-]C(C)=O)cc1	ZINC001252539718	847998197	/nfs/dbraw/zinc/99/81/97/847998197.db2.gz	XRWJBVAWRXFHGT-ZDUSSCGKSA-N	-1	0	298.364	0.860	20	30		CCEDRM
C#CCOc1ccc(F)cc1NC(=O)CCc1nnn[n-]1	ZINC001137094370	848114164	/nfs/dbraw/zinc/11/41/64/848114164.db2.gz	NYEYMRIEAAFNIJ-UHFFFAOYSA-N	-1	0	289.270	0.922	20	30		CCEDRM
C#CCCCNC(=O)N[C@@H](Cc1cncs1)C(=O)[O-]	ZINC000719005517	849285609	/nfs/dbraw/zinc/28/56/09/849285609.db2.gz	OTBXCFXXSZZQQB-JTQLQIEISA-N	-1	0	281.337	0.851	20	30		CCEDRM
N#CCN1CC[C@@H]1CNC(=O)c1n[n-]c2ccccc2c1=O	ZINC001038765051	850008045	/nfs/dbraw/zinc/00/80/45/850008045.db2.gz	VBMJGHMJRCKZHK-SNVBAGLBSA-N	-1	0	297.318	0.663	20	30		CCEDRM
C=CCC1(C(=O)[O-])CN(S(=O)(=O)CCOCC)C1	ZINC000722907798	850166678	/nfs/dbraw/zinc/16/66/78/850166678.db2.gz	LMSOMHXUBJGMGM-UHFFFAOYSA-N	-1	0	277.342	0.315	20	30		CCEDRM
C=C(Cl)CN1CC(N(C)C(=O)c2n[nH]c(C)c2[O-])C1	ZINC001042619397	850714320	/nfs/dbraw/zinc/71/43/20/850714320.db2.gz	BCGSCOLAVWMVNA-UHFFFAOYSA-N	-1	0	284.747	0.932	20	30		CCEDRM
C#CC[C@H](NC(=O)c1ccc(OC)c(OC)c1)C(=O)[O-]	ZINC000149545043	853987330	/nfs/dbraw/zinc/98/73/30/853987330.db2.gz	LZRRWLGXSSBGMY-JTQLQIEISA-N	-1	0	277.276	0.910	20	30		CCEDRM
C#CC[C@H](NC(=O)CCNC(=O)C(C)(C)C)C(=O)[O-]	ZINC000149634660	853990369	/nfs/dbraw/zinc/99/03/69/853990369.db2.gz	RHMADVMIBMPUGT-VIFPVBQESA-N	-1	0	268.313	0.132	20	30		CCEDRM
C#CC[C@@H](NC(=O)[C@@H]1COc2ccccc21)C(=O)[O-]	ZINC000149921885	854008529	/nfs/dbraw/zinc/00/85/29/854008529.db2.gz	QSBXTOIZTPQQIZ-GHMZBOCLSA-N	-1	0	259.261	0.755	20	30		CCEDRM
C#CC[C@H](NC(=O)[C@H]1CC(=O)N(CC(C)C)C1)C(=O)[O-]	ZINC000149976909	854011026	/nfs/dbraw/zinc/01/10/26/854011026.db2.gz	NSSMSKXCKUUTKV-QWRGUYRKSA-N	-1	0	280.324	0.084	20	30		CCEDRM
C#CC[C@@H](NC(=O)[C@@H]1OCCc2ccccc21)C(=O)[O-]	ZINC000149979727	854011474	/nfs/dbraw/zinc/01/14/74/854011474.db2.gz	ZICKTNJITRCMOO-CHWSQXEVSA-N	-1	0	273.288	0.893	20	30		CCEDRM
C=CCN(CC(=O)[O-])C(=O)N[C@H]1COC(C)(C)C1	ZINC000396495774	854364751	/nfs/dbraw/zinc/36/47/51/854364751.db2.gz	NWRQVFOFLMGWSZ-SECBINFHSA-N	-1	0	256.302	0.836	20	30		CCEDRM
N#Cc1ccc(C(=O)[N-]S(=O)(=O)CC2CC2)cn1	ZINC001116075967	855716537	/nfs/dbraw/zinc/71/65/37/855716537.db2.gz	HJTRHOHUUIQIMP-UHFFFAOYSA-N	-1	0	265.294	0.423	20	30		CCEDRM
C=CC[C@@H](NC(=O)CNC(=O)Cc1ccccc1)C(=O)[O-]	ZINC001116906908	855862144	/nfs/dbraw/zinc/86/21/44/855862144.db2.gz	YJLLFANHRXXOOZ-GFCCVEGCSA-N	-1	0	290.319	0.491	20	30		CCEDRM
C=CC1(S(=O)(=O)[N-]C(=O)c2cnn(C)c2OC)CC1	ZINC001118994850	856522916	/nfs/dbraw/zinc/52/29/16/856522916.db2.gz	XAYYDQGNSCWFKU-UHFFFAOYSA-N	-1	0	285.325	0.207	20	30		CCEDRM
C=CC[C@@H](NC(=O)[C@H](C)Oc1cccnc1)C(=O)[O-]	ZINC001119580604	856753119	/nfs/dbraw/zinc/75/31/19/856753119.db2.gz	OIDMPAUDFTYJTA-GXSJLCMTSA-N	-1	0	264.281	0.994	20	30		CCEDRM
C=CC[C@@H](NC(=O)[C@H]1CCc2cnn(C)c2C1)C(=O)[O-]	ZINC001119645611	856805335	/nfs/dbraw/zinc/80/53/35/856805335.db2.gz	WPUIVZXWZXKUEF-GXSJLCMTSA-N	-1	0	277.324	0.671	20	30		CCEDRM
C=CCCC[C@@H](C)NC(=O)C(=O)[N-]OC[C@@H]1CCOC1	ZINC001323547649	912403211	/nfs/dbraw/zinc/40/32/11/912403211.db2.gz	FINDURQWKZTBHU-VXGBXAGGSA-N	-1	0	284.356	0.932	20	30		CCEDRM
C=CCC1(S(=O)(=O)[N-]C(=O)c2cncnc2C)CC1	ZINC001324619154	912944946	/nfs/dbraw/zinc/94/49/46/912944946.db2.gz	PQEDYJZNNQSNDR-UHFFFAOYSA-N	-1	0	281.337	0.953	20	30		CCEDRM
N#CC1(CS(=O)(=O)[N-]C(=O)/C=C/c2ccncn2)CC1	ZINC001325735136	913550698	/nfs/dbraw/zinc/55/06/98/913550698.db2.gz	JNBFZEMKCYRNJG-OWOJBTEDSA-N	-1	0	292.320	0.240	20	30		CCEDRM
C#C[C@@H](NC(=O)c1n[nH]c(=O)[n-]c1=O)c1ccccc1	ZINC001299870117	893944734	/nfs/dbraw/zinc/94/47/34/893944734.db2.gz	XFYXLKOMTRFLBF-SECBINFHSA-N	-1	0	270.248	0.387	20	30		CCEDRM
C=CCOC[C@H](CS(=O)(=O)[O-])OCC1COC1	ZINC001224746476	895227544	/nfs/dbraw/zinc/22/75/44/895227544.db2.gz	OYXBITRVYGAKFF-SNVBAGLBSA-N	-1	0	266.315	0.108	20	30		CCEDRM
N#CCC1(O)CN(Cc2nc(=O)c3sccc3[n-]2)C1	ZINC001364386715	897687554	/nfs/dbraw/zinc/68/75/54/897687554.db2.gz	NEEUKIVDGDGSIU-UHFFFAOYSA-N	-1	0	276.321	0.857	20	30		CCEDRM
N#CCCCC(=O)[N-]S(=O)(=O)c1cnn2c1OCCC2	ZINC001324321893	899669378	/nfs/dbraw/zinc/66/93/78/899669378.db2.gz	LNWJQPYMBBIWEY-UHFFFAOYSA-N	-1	0	298.324	0.164	20	30		CCEDRM
CCOC(=O)c1ncncc1[N-]S(=O)(=O)[C@@H](C)C#N	ZINC001193106290	900031897	/nfs/dbraw/zinc/03/18/97/900031897.db2.gz	FIQZRPSFSSRFKB-ZETCQYMHSA-N	-1	0	284.297	0.307	20	30		CCEDRM
N#Cc1cn(CC(=O)NCc2cccs2)c(=O)[n-]c1=O	ZINC001411600106	901150179	/nfs/dbraw/zinc/15/01/79/901150179.db2.gz	CUOGLHNSLQYMLT-UHFFFAOYSA-N	-1	0	290.304	0.198	20	30		CCEDRM
CCC(CC)CN(CCC#N)C(=O)Cn1c(=O)[n-][nH]c1=O	ZINC001411763718	901235694	/nfs/dbraw/zinc/23/56/94/901235694.db2.gz	RXUYSBXSTWCUHL-UHFFFAOYSA-N	-1	0	295.343	0.868	20	30		CCEDRM
CC[C@H](C)[C@H](C)NC(=O)Cn1cc(C#N)c(=O)[n-]c1=O	ZINC001411798834	901261812	/nfs/dbraw/zinc/26/18/12/901261812.db2.gz	IPXUTBUHILJUBS-IUCAKERBSA-N	-1	0	278.312	0.371	20	30		CCEDRM
Cc1cc(C#N)c(=O)[n-]c1C(=O)N1CC[C@@H](C)[C@H](O)C1	ZINC001411981580	901374228	/nfs/dbraw/zinc/37/42/28/901374228.db2.gz	AFQSSXAWMBDCRV-LDYMZIIASA-N	-1	0	275.308	0.810	20	30		CCEDRM
N#CC1(C(=O)N2CCC[C@H](c3nnn[n-]3)C2)CCOCC1	ZINC001412060724	901436214	/nfs/dbraw/zinc/43/62/14/901436214.db2.gz	SBCBWVQZCNUMHJ-JTQLQIEISA-N	-1	0	290.327	0.226	20	30		CCEDRM
N#Cc1cn(CCNC(=O)Cc2ccccc2)c(=O)[n-]c1=O	ZINC001412374702	901669213	/nfs/dbraw/zinc/66/92/13/901669213.db2.gz	QUDFGAIBMRBLBT-UHFFFAOYSA-N	-1	0	298.302	0.179	20	30		CCEDRM
N#CCc1ccsc1C(=O)NCCc1nc(=O)o[n-]1	ZINC001412890472	902334684	/nfs/dbraw/zinc/33/46/84/902334684.db2.gz	BIXBVUVCSIILGX-UHFFFAOYSA-N	-1	0	278.293	0.463	20	30		CCEDRM
C=CC(C)(C)C(=O)N[C@@H](C)CNC(=O)c1[nH]nc(C)c1[O-]	ZINC001285761684	905755921	/nfs/dbraw/zinc/75/59/21/905755921.db2.gz	NLXJYHUKUSGMTD-QMMMGPOBSA-N	-1	0	294.355	0.870	20	30		CCEDRM
C[C@H](Nc1[n-]c(=O)n(C)c(=O)c1C#N)C1CCCC1	ZINC001337185531	921212031	/nfs/dbraw/zinc/21/20/31/921212031.db2.gz	KMGYIVSMOOHUBL-QMMMGPOBSA-N	-1	0	262.313	0.936	20	30		CCEDRM
CO[C@@H]1CCN(C(=O)c2[n-]c(=O)c(C#N)cc2C)C1	ZINC001294407886	906592233	/nfs/dbraw/zinc/59/22/33/906592233.db2.gz	ZBALVGGSAIBMPL-SNVBAGLBSA-N	-1	0	261.281	0.828	20	30		CCEDRM
N#Cc1ccc([O-])c(NC(=O)C[C@H]2CCNC2=O)c1	ZINC001295829060	906810464	/nfs/dbraw/zinc/81/04/64/906810464.db2.gz	XEBGHAKYHARBJG-SECBINFHSA-N	-1	0	259.265	0.729	20	30		CCEDRM
C#Cc1cncc(C(=O)N2CCC[C@@H](c3nnn[n-]3)C2)c1	ZINC001296795280	906961622	/nfs/dbraw/zinc/96/16/22/906961622.db2.gz	LKLZNTHXMDCZFT-LLVKDONJSA-N	-1	0	282.307	0.596	20	30		CCEDRM
CC(C)C#CC(=O)N1CCC[C@H](NC(=O)c2cn[nH]n2)C1	ZINC001296914702	906973920	/nfs/dbraw/zinc/97/39/20/906973920.db2.gz	RLOYXEMAFMKFND-NSHDSACASA-N	-1	0	289.339	0.185	20	30		CCEDRM
CO[C@H](CNc1[n-]c(=O)n(C)c(=O)c1C#N)C(C)C	ZINC001337795717	921293693	/nfs/dbraw/zinc/29/36/93/921293693.db2.gz	UXBAARSIRNKWNN-SECBINFHSA-N	-1	0	266.301	0.028	20	30		CCEDRM
CN(C[C@@H]1CC=CCC1)c1[n-]c(=O)n(C)c(=O)c1C#N	ZINC001337930787	921303566	/nfs/dbraw/zinc/30/35/66/921303566.db2.gz	BUDLOAJKMILJHY-SNVBAGLBSA-N	-1	0	274.324	0.738	20	30		CCEDRM
CCc1ccc(C#CC(=O)Nn2c(=O)[n-][nH]c2=O)cc1	ZINC001298668408	907299245	/nfs/dbraw/zinc/29/92/45/907299245.db2.gz	RKJVYMCIHRBFJL-UHFFFAOYSA-N	-1	0	272.264	0.374	20	30		CCEDRM
C#C[C@H](C)N(C)c1nnc(-c2cc(=O)[nH]c(C)n2)n1C	ZINC001337964377	921326173	/nfs/dbraw/zinc/32/61/73/921326173.db2.gz	FLPNXJABFWJROH-QMMMGPOBSA-N	-1	0	272.312	0.744	20	30		CCEDRM
Cn1c(=O)[n-]c(N[C@@]23C[C@@H]2CCCC3)c(C#N)c1=O	ZINC001338062388	921354574	/nfs/dbraw/zinc/35/45/74/921354574.db2.gz	AWJUFKVZDKXCME-SDBXPKJASA-N	-1	0	260.297	0.690	20	30		CCEDRM
C#CCCS(=O)(=O)N[C@@H](C(=O)[O-])c1ccsc1	ZINC001588457612	983481929	/nfs/dbraw/zinc/48/19/29/983481929.db2.gz	FCZODKIIVUNSKS-SECBINFHSA-N	-1	0	273.335	0.817	20	30		CCEDRM
CN(C(=O)Cn1c(=O)[n-][nH]c1=O)c1cccc(C#N)c1	ZINC001417618208	921458794	/nfs/dbraw/zinc/45/87/94/921458794.db2.gz	SGSWURLGLCEJCT-UHFFFAOYSA-N	-1	0	273.252	0.224	20	30		CCEDRM
CCOCC(=O)[N-]S(=O)(=O)c1ccccc1C#N	ZINC001317859487	909528701	/nfs/dbraw/zinc/52/87/01/909528701.db2.gz	KYOSAWLSMDBTBW-UHFFFAOYSA-N	-1	0	268.294	0.400	20	30		CCEDRM
Cc1nnc(N=NC(C)C(C)(C)n2cncn2)[n-]c1=O	ZINC001322447197	911806556	/nfs/dbraw/zinc/80/65/56/911806556.db2.gz	XRMVWWMGOHTVOH-UHFFFAOYSA-N	-1	0	276.304	0.700	20	30		CCEDRM
C=CC[C@H](CC)NC(=O)C(=O)[N-]OCCSC	ZINC001322881317	912002324	/nfs/dbraw/zinc/00/23/24/912002324.db2.gz	WTPQJXGMMTXKAA-VIFPVBQESA-N	-1	0	260.359	0.868	20	30		CCEDRM
CC(C)CO[N-]C(=O)C(=O)NCc1ccc(C#N)cc1	ZINC001328244020	915054740	/nfs/dbraw/zinc/05/47/40/915054740.db2.gz	XGTJYCGJZDRVEY-UHFFFAOYSA-N	-1	0	275.308	0.878	20	30		CCEDRM
CCO[N-]C(=O)CNC(=O)C1(c2cccc(C#N)c2)CC1	ZINC001328821787	915454999	/nfs/dbraw/zinc/45/49/99/915454999.db2.gz	OPJJSMASZPIUMH-UHFFFAOYSA-N	-1	0	287.319	0.774	20	30		CCEDRM
CC[C@H]1CC[C@@H](C)N1c1[n-]c(=O)n(C)c(=O)c1C#N	ZINC001339648750	921785605	/nfs/dbraw/zinc/78/56/05/921785605.db2.gz	KMPOEPVQSDNDBF-BDAKNGLRSA-N	-1	0	262.313	0.713	20	30		CCEDRM
C=C(C)C[C@@H](NC(C)=O)C(=O)NCCCc1c[nH][nH]c1=O	ZINC001339663217	921791064	/nfs/dbraw/zinc/79/10/64/921791064.db2.gz	MNJCYUPCQNNXCD-NWDGAFQWSA-N	-1	0	294.355	0.086	20	30		CCEDRM
C=CC1(S(=O)(=O)[N-]C(=O)c2ccn(CC)n2)CC1	ZINC001329593141	916046501	/nfs/dbraw/zinc/04/65/01/916046501.db2.gz	JFPLPTJFFUPBBE-UHFFFAOYSA-N	-1	0	269.326	0.681	20	30		CCEDRM
C=C(C)CO[N-]C(=O)C(=O)Nc1ccnnc1C	ZINC001329675009	916115866	/nfs/dbraw/zinc/11/58/66/916115866.db2.gz	KVROZFBFAOZNMA-UHFFFAOYSA-N	-1	0	250.258	0.347	20	30		CCEDRM
C#CC[C@H](COC)NC(=O)C(=O)[N-]OCCC(F)(F)F	ZINC001331529379	917397411	/nfs/dbraw/zinc/39/74/11/917397411.db2.gz	UAXRILCVJREQHM-MRVPVSSYSA-N	-1	0	296.245	0.141	20	30		CCEDRM
C=C1CCC(C(=O)[N-]S(=O)(=O)CC(=O)OC)CC1	ZINC001331903396	917702525	/nfs/dbraw/zinc/70/25/25/917702525.db2.gz	ANWBRXMFFXHDKB-UHFFFAOYSA-N	-1	0	275.326	0.352	20	30		CCEDRM
C=CC[C@H](NC(=O)[C@H]1CCCc2nn(C)cc21)C(=O)[O-]	ZINC001332613744	918312604	/nfs/dbraw/zinc/31/26/04/918312604.db2.gz	NWJCBPPRPSKIHI-CABZTGNLSA-N	-1	0	277.324	0.986	20	30		CCEDRM
C=CC[C@H](NC(=O)NCCc1cncc(C)n1)C(=O)[O-]	ZINC001333146478	918684996	/nfs/dbraw/zinc/68/49/96/918684996.db2.gz	WROUSPKHACKMTN-NSHDSACASA-N	-1	0	278.312	0.656	20	30		CCEDRM
C=C(C)CN(CC)C(=O)C(=O)N[C@H]1C[C@@H](C(=O)[O-])C1	ZINC001333333132	918812446	/nfs/dbraw/zinc/81/24/46/918812446.db2.gz	JOBUBZNAELRWSB-AOOOYVTPSA-N	-1	0	268.313	0.390	20	30		CCEDRM
C=C(C)C[C@@H](NC(C)=O)C(=O)[N-]S(=O)(=O)CCCC	ZINC001333516243	918961535	/nfs/dbraw/zinc/96/15/35/918961535.db2.gz	RZOPQSDLGCEOEV-LLVKDONJSA-N	-1	0	290.385	0.703	20	30		CCEDRM
N#CC1(NC(=O)c2ccc3oc(=O)nc-3[n-]2)CCOCC1	ZINC001334064925	919350265	/nfs/dbraw/zinc/35/02/65/919350265.db2.gz	ZCWILJHUVLUECY-UHFFFAOYSA-N	-1	0	288.263	0.731	20	30		CCEDRM
Cn1c(=O)[n-]c(NC[C@@]2(C)CC2(C)C)c(C#N)c1=O	ZINC001336714293	920947642	/nfs/dbraw/zinc/94/76/42/920947642.db2.gz	JIDDUPKPOIAYCQ-CYBMUJFWSA-N	-1	0	262.313	0.793	20	30		CCEDRM
COCc1n[n-]c(S(=O)(=O)CCCCC#N)n1	ZINC001340423942	922082388	/nfs/dbraw/zinc/08/23/88/922082388.db2.gz	GDQTZMODEJBRRK-UHFFFAOYSA-N	-1	0	258.303	0.419	20	30		CCEDRM
COc1ccc(CNC(=O)CCc2nnn[n-]2)cc1C#N	ZINC001419071592	922618140	/nfs/dbraw/zinc/61/81/40/922618140.db2.gz	BTIGHOTVPMANAR-UHFFFAOYSA-N	-1	0	286.295	0.329	20	30		CCEDRM
C=CCNC(=O)C(C#N)=C([O-])c1c(C)nn2cccnc12	ZINC001341867071	922700401	/nfs/dbraw/zinc/70/04/01/922700401.db2.gz	BOUVKDIMPOQAHD-JTQLQIEISA-N	-1	0	283.291	0.662	20	30		CCEDRM
CN(C)C(=O)c1ccc(C([O-])=C(C#N)C(=O)NC2CC2)cc1	ZINC001342549859	923000221	/nfs/dbraw/zinc/00/02/21/923000221.db2.gz	WLSSAVUBGGOYOH-CYBMUJFWSA-N	-1	0	299.330	0.989	20	30		CCEDRM
C#C[C@H](NC(=O)N(CCOC)CCC(=O)[O-])[C@H]1CCCO1	ZINC001343040014	923179245	/nfs/dbraw/zinc/17/92/45/923179245.db2.gz	DBFONWYGRYHGJV-NWDGAFQWSA-N	-1	0	298.339	0.300	20	30		CCEDRM
C=CCNC(=O)C(C#N)=C([O-])c1ccc2nnc(C)n2c1	ZINC001343441474	923314684	/nfs/dbraw/zinc/31/46/84/923314684.db2.gz	FAFHMIKJQMGCKD-NSHDSACASA-N	-1	0	283.291	0.662	20	30		CCEDRM
CCOc1ccc(C([O-])=C(C#N)C(=O)NCCOC)cn1	ZINC001343456049	923322308	/nfs/dbraw/zinc/32/23/08/923322308.db2.gz	MODBWXAALRDWLP-NSHDSACASA-N	-1	0	291.307	0.565	20	30		CCEDRM
COc1cc(C([O-])=C(C#N)C(=O)NC2CC2)nn1C	ZINC001343464467	923328479	/nfs/dbraw/zinc/32/84/79/923328479.db2.gz	YOPRWTKRWNJYTN-MRVPVSSYSA-N	-1	0	262.269	0.030	20	30		CCEDRM
CNC(=O)C(C#N)=C([O-])c1cccc2c1CCOC2	ZINC001343538613	923367285	/nfs/dbraw/zinc/36/72/85/923367285.db2.gz	IXSABVKQBNKFGY-GFCCVEGCSA-N	-1	0	258.277	0.828	20	30		CCEDRM
COc1nn(C)cc1C([O-])=C(C#N)c1nccn1C	ZINC001343705464	923433258	/nfs/dbraw/zinc/43/32/58/923433258.db2.gz	RLMQRKXXHQYLIW-MRVPVSSYSA-N	-1	0	259.269	0.652	20	30		CCEDRM
C=CC[C@H](NC(=O)Cn1cc([N+](=O)[O-])nc1C)C(=O)[O-]	ZINC001344553802	923635577	/nfs/dbraw/zinc/63/55/77/923635577.db2.gz	UXWCMJLRGLCEBR-QMMMGPOBSA-N	-1	0	282.256	0.245	20	30		CCEDRM
C=CCSCCNC(=O)C(=O)[N-]OC[C@H]1CCOC1	ZINC001345463337	923895025	/nfs/dbraw/zinc/89/50/25/923895025.db2.gz	MUZKYYCQRCWXBF-JTQLQIEISA-N	-1	0	288.369	0.106	20	30		CCEDRM
C=C(C)CCC(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)[O-]	ZINC001345769242	923971997	/nfs/dbraw/zinc/97/19/97/923971997.db2.gz	PTGZJGMOMNVENA-IUCAKERBSA-N	-1	0	256.302	0.437	20	30		CCEDRM
COCCNC(=O)C(C#N)=C([O-])c1cc(C)c(C)cn1	ZINC001346229258	924122437	/nfs/dbraw/zinc/12/24/37/924122437.db2.gz	RZEUYLPLPRYNIM-LLVKDONJSA-N	-1	0	275.308	0.784	20	30		CCEDRM
CCc1cc(CNc2[n-]c(=O)n(C)c(=O)c2C#N)on1	ZINC001421081629	924139856	/nfs/dbraw/zinc/13/98/56/924139856.db2.gz	LBTMXEAJXJZZNO-UHFFFAOYSA-N	-1	0	275.268	0.108	20	30		CCEDRM
CN(Cc1cccc(O)c1)c1[n-]c(=O)n(C)c(=O)c1C#N	ZINC001421085097	924142436	/nfs/dbraw/zinc/14/24/36/924142436.db2.gz	AECFPUODWGERNW-UHFFFAOYSA-N	-1	0	286.291	0.287	20	30		CCEDRM
C=C(C)CO[N-]C(=O)CNS(=O)(=O)c1ccccc1	ZINC001346307371	924152222	/nfs/dbraw/zinc/15/22/22/924152222.db2.gz	HYDXPZJXRICNAZ-UHFFFAOYSA-N	-1	0	284.337	0.589	20	30		CCEDRM
C#CCN(C)c1nnc(-c2cc(=O)[nH][n-]2)n1CC(=C)C	ZINC001346517109	924248892	/nfs/dbraw/zinc/24/88/92/924248892.db2.gz	WFAKEXJJWOLKFO-UHFFFAOYSA-N	-1	0	272.312	0.148	20	30		CCEDRM
C[C@@H](N(C)c1[n-]c(=O)n(C)c(=O)c1C#N)C1(C)CC1	ZINC001348030974	924581695	/nfs/dbraw/zinc/58/16/95/924581695.db2.gz	AUJGSWBJFKSPNP-MRVPVSSYSA-N	-1	0	262.313	0.570	20	30		CCEDRM
C=CC[C@H](NC(=O)Cn1ccc(C)cc1=O)C(=O)[O-]	ZINC001348490233	924705006	/nfs/dbraw/zinc/70/50/06/924705006.db2.gz	NXOJZBUSUOXENQ-JTQLQIEISA-N	-1	0	264.281	0.302	20	30		CCEDRM
C=CCOC[C@H](NCc1cnc(N(C)C)s1)C(=O)[O-]	ZINC001350611517	925240365	/nfs/dbraw/zinc/24/03/65/925240365.db2.gz	VARHMPKUOCAJEO-JTQLQIEISA-N	-1	0	285.369	0.955	20	30		CCEDRM
C=CCn1c(-c2cc(=O)[nH][n-]2)nnc1N1CC[C@@H](CC)C1	ZINC001351851156	925484925	/nfs/dbraw/zinc/48/49/25/925484925.db2.gz	FXTSJNUMYXJBCB-SNVBAGLBSA-N	-1	0	288.355	0.924	20	30		CCEDRM
C=CC[C@@H](NC(=O)c1ncccc1N(C)C)C(=O)[O-]	ZINC001354047347	925996136	/nfs/dbraw/zinc/99/61/36/925996136.db2.gz	NQLUJKQCHTVBMX-SECBINFHSA-N	-1	0	263.297	0.907	20	30		CCEDRM
CC[C@H](Nc1[n-]c(=O)n(C)c(=O)c1C#N)c1ncc[nH]1	ZINC001472758321	926137643	/nfs/dbraw/zinc/13/76/43/926137643.db2.gz	LHQAFORQIXWMID-QMMMGPOBSA-N	-1	0	274.284	0.232	20	30		CCEDRM
COCCCNC(=O)C(C#N)=C([O-])c1ccsn1	ZINC001356220739	926354417	/nfs/dbraw/zinc/35/44/17/926354417.db2.gz	KZDRJWROAOPWDF-MRVPVSSYSA-N	-1	0	267.310	0.618	20	30		CCEDRM
N#Cc1cn(CC(=O)NC2CCCCC2)c(=O)[n-]c1=O	ZINC001361852661	927388470	/nfs/dbraw/zinc/38/84/70/927388470.db2.gz	FDPYSPNMFSHLEH-UHFFFAOYSA-N	-1	0	276.296	0.269	20	30		CCEDRM
Cc1cc(C#N)c(=O)[n-]c1C(=O)N(CC(N)=O)C(C)C	ZINC001362010577	927519628	/nfs/dbraw/zinc/51/96/28/927519628.db2.gz	PFJXFJBTLJHSRR-UHFFFAOYSA-N	-1	0	276.296	0.303	20	30		CCEDRM
Cc1cc(C#N)c(=O)[n-]c1C(=O)Nc1cnn(CC#N)c1	ZINC001362085627	927598344	/nfs/dbraw/zinc/59/83/44/927598344.db2.gz	PBJKOJHERMOUAP-UHFFFAOYSA-N	-1	0	282.263	0.940	20	30		CCEDRM
Cc1ccc(C#N)cc1C(=O)N1CCO[C@@H](c2nnn[n-]2)C1	ZINC001362088094	927601271	/nfs/dbraw/zinc/60/12/71/927601271.db2.gz	HLPKQSHUSILKLV-GFCCVEGCSA-N	-1	0	298.306	0.594	20	30		CCEDRM
Cc1cc(C#N)c(=O)[n-]c1C(=O)N1CCNC(=O)C[C@H]1C	ZINC001362152261	927668171	/nfs/dbraw/zinc/66/81/71/927668171.db2.gz	YBVWTHIYTSETHU-SECBINFHSA-N	-1	0	288.307	0.318	20	30		CCEDRM
Cc1cc(NC(=O)CCCc2nnn[n-]2)nn1CCC#N	ZINC001362299391	927845535	/nfs/dbraw/zinc/84/55/35/927845535.db2.gz	IMKWRULXNIJYRL-UHFFFAOYSA-N	-1	0	288.315	0.580	20	30		CCEDRM
CC[C@@H]1C[C@H]1NC(=O)CCn1cc(C#N)c(=O)[n-]c1=O	ZINC001362454830	928041579	/nfs/dbraw/zinc/04/15/79/928041579.db2.gz	FYAVVINYMJKILW-PSASIEDQSA-N	-1	0	276.296	0.125	20	30		CCEDRM
Cc1ncsc1NC(=O)Cn1cc(C#N)c(=O)[n-]c1=O	ZINC001362665542	928326821	/nfs/dbraw/zinc/32/68/21/928326821.db2.gz	KMPBHAXMHXBBTF-UHFFFAOYSA-N	-1	0	291.292	0.224	20	30		CCEDRM
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N#CC1(NC(=O)[C@H]2CCCN(CC(=O)[O-])C2=O)CCCC1	ZINC001594602753	956151370	/nfs/dbraw/zinc/15/13/70/956151370.db2.gz	RFRMZVVEUJSCTO-SNVBAGLBSA-N	-1	0	293.323	0.262	20	30		CCEDRM
N#CC1(NC(=O)c2cc(C(=O)[O-])n[nH]2)CCSCC1	ZINC001594602850	956152877	/nfs/dbraw/zinc/15/28/77/956152877.db2.gz	SGTCCLWNWUUSOI-UHFFFAOYSA-N	-1	0	280.309	0.627	20	30		CCEDRM
N#CCC1CCN(C(=O)C(=O)NCCCCC(=O)[O-])CC1	ZINC001594605429	956166808	/nfs/dbraw/zinc/16/68/08/956166808.db2.gz	BRVOPVVSGJTUGG-UHFFFAOYSA-N	-1	0	295.339	0.510	20	30		CCEDRM
N#C[C@H]1CSCCN1C(=O)c1ccc(C(=O)[O-])cn1	ZINC001594605615	956169770	/nfs/dbraw/zinc/16/97/70/956169770.db2.gz	HJFKYCYUGZHTFT-VIFPVBQESA-N	-1	0	277.305	0.861	20	30		CCEDRM
N#C[C@@H]1CN(C(=O)N[C@H]2C[C@H](C(=O)[O-])C2)CCN1C1CC1	ZINC001594605734	956170474	/nfs/dbraw/zinc/17/04/74/956170474.db2.gz	JMYOZROMGVFHOY-CKYFFXLPSA-N	-1	0	292.339	0.231	20	30		CCEDRM
N#C[C@@H]1CCCN(C(=O)C(=O)N[C@H]2CC[C@@H](C(=O)[O-])C2)C1	ZINC001594606166	956178565	/nfs/dbraw/zinc/17/85/65/956178565.db2.gz	RIOUXZIZJITYIT-AXFHLTTASA-N	-1	0	293.323	0.118	20	30		CCEDRM
N#CCCCCNC(=O)c1cccn(CC(=O)[O-])c1=O	ZINC001594609039	956188340	/nfs/dbraw/zinc/18/83/40/956188340.db2.gz	KKXGGYLBZAXGCZ-UHFFFAOYSA-N	-1	0	277.280	0.357	20	30		CCEDRM
CO[C@](C)(C(=O)[O-])C(=O)OCc1cc(C#N)ccn1	ZINC001593933617	956203693	/nfs/dbraw/zinc/20/36/93/956203693.db2.gz	KKYOTPZQFBOUES-GFCCVEGCSA-N	-1	0	264.237	0.486	20	30		CCEDRM
N#Cc1c(F)cc(C(=O)N2CCOC[C@H]2C(=O)[O-])cc1F	ZINC001594611731	956219483	/nfs/dbraw/zinc/21/94/83/956219483.db2.gz	AISPJIPGVIJHRD-NSHDSACASA-N	-1	0	296.229	0.762	20	30		CCEDRM
C[C@](O)(CNC(=O)CCc1ccc(C#N)cc1)C(=O)[O-]	ZINC001589139644	956261102	/nfs/dbraw/zinc/26/11/02/956261102.db2.gz	YNBAYBKSCJGVQJ-AWEZNQCLSA-N	-1	0	276.292	0.443	20	30		CCEDRM
N#Cc1ccc(N2CCC[C@@H](NC(=O)C(=O)[O-])C2=O)cc1	ZINC001594622173	956291279	/nfs/dbraw/zinc/29/12/79/956291279.db2.gz	ZVEPRWORDBXKCB-LLVKDONJSA-N	-1	0	287.275	0.254	20	30		CCEDRM
N#Cc1ccnc(C(=O)Nc2cnn(CC(=O)[O-])c2)c1	ZINC001594631854	956347151	/nfs/dbraw/zinc/34/71/51/956347151.db2.gz	OVIYZQHZXAXRTO-UHFFFAOYSA-N	-1	0	271.236	0.487	20	30		CCEDRM
N#Cc1cnn(C(=O)[C@H](C(=O)[O-])C2CCCC2)c1N	ZINC001594634713	956364685	/nfs/dbraw/zinc/36/46/85/956364685.db2.gz	OCNAKDVSKPQMLH-SECBINFHSA-N	-1	0	262.269	0.868	20	30		CCEDRM
C[C@]1(C#N)CN(C(=O)[C@H](C(=O)[O-])C2CC2)CCO1	ZINC001589182291	956535329	/nfs/dbraw/zinc/53/53/29/956535329.db2.gz	YBTZYRGIIREFQB-SKDRFNHKSA-N	-1	0	252.270	0.238	20	30		CCEDRM
CC1(C)CC(Cn2c(=O)c(C#N)cn(CC(=O)[O-])c2=O)C1	ZINC001589213400	956715346	/nfs/dbraw/zinc/71/53/46/956715346.db2.gz	FGFXTUNMXCLYIN-UHFFFAOYSA-N	-1	0	291.307	0.402	20	30		CCEDRM
COCC1(CNC(=O)[C@](C)(C#N)CC(=O)[O-])CC1	ZINC001593986949	956801062	/nfs/dbraw/zinc/80/10/62/956801062.db2.gz	WCXCTVROTGTQHI-NSHDSACASA-N	-1	0	254.286	0.534	20	30		CCEDRM
N#Cc1cccc(C[N@H+](CCC(=O)[O-])CC(=O)[O-])c1	ZINC000071742065	957732678	/nfs/dbraw/zinc/73/26/78/957732678.db2.gz	JMRCIFNJDJREDT-UHFFFAOYSA-N	-1	0	262.265	0.920	20	30		CCEDRM
CON(C(=O)c1cc(C#N)oc1C)[C@@H](C)C(=O)[O-]	ZINC001594033450	957783383	/nfs/dbraw/zinc/78/33/83/957783383.db2.gz	FLIOBJKTVBDLPX-LURJTMIESA-N	-1	0	252.226	0.936	20	30		CCEDRM
C#C[C@H](C)N(C)C(=O)[C@@H]1CO[C@@H](CCC(=O)[O-])C1	ZINC001588388761	957999778	/nfs/dbraw/zinc/99/97/78/957999778.db2.gz	ZOFODDKTYSCUHN-DCAQKATOSA-N	-1	0	253.298	0.736	20	30		CCEDRM
C#CC[C@@H](COC)NC(=O)[C@H]1CC[C@@H](C(=O)[O-])C1	ZINC001588388787	957999927	/nfs/dbraw/zinc/99/99/27/957999927.db2.gz	GIQSWDDGWNJYTJ-AXFHLTTASA-N	-1	0	253.298	0.642	20	30		CCEDRM
C#C[C@H](C)N(C)C(=O)[C@@H]1CO[C@H](CCC(=O)[O-])C1	ZINC001588388762	958000132	/nfs/dbraw/zinc/00/01/32/958000132.db2.gz	ZOFODDKTYSCUHN-GARJFASQSA-N	-1	0	253.298	0.736	20	30		CCEDRM
C#CCCCn1nnnc1N1CC[C@](C)(C(=O)[O-])C1	ZINC001588390941	958017074	/nfs/dbraw/zinc/01/70/74/958017074.db2.gz	VOGKCTOGSRLHKX-LBPRGKRZSA-N	-1	0	263.301	0.388	20	30		CCEDRM
C#CCC[N@H+]1CCC[C@@H]([N-]C(=O)C(F)(F)F)[C@H]1C(=O)[O-]	ZINC001588390976	958018774	/nfs/dbraw/zinc/01/87/74/958018774.db2.gz	XWGBFXYWDIUIBP-BDAKNGLRSA-N	-1	0	292.257	0.606	20	30		CCEDRM
C#CCC[C@H](O)CNC(=O)Nc1cc(C(=O)[O-])ccn1	ZINC001588391325	958022124	/nfs/dbraw/zinc/02/21/24/958022124.db2.gz	FMMYTRVDVAEWPP-JTQLQIEISA-N	-1	0	277.280	0.676	20	30		CCEDRM
C#CCN(CC(=O)[O-])C(=O)C(=O)Nc1ccc2[nH]ccc2c1	ZINC001588395602	958041913	/nfs/dbraw/zinc/04/19/13/958041913.db2.gz	OMPPZLBNMSZCJN-UHFFFAOYSA-N	-1	0	299.286	0.653	20	30		CCEDRM
C#CCCOc1ccc(C(=O)OCC(=O)C(=O)[O-])cc1	ZINC001588396360	958050279	/nfs/dbraw/zinc/05/02/79/958050279.db2.gz	RWJYYIMADNNEGW-UHFFFAOYSA-N	-1	0	276.244	0.899	20	30		CCEDRM
C#CCN(CC(=O)[O-])C(=O)[C@H](C(=O)OC(C)(C)C)C1CC1	ZINC001588397488	958058067	/nfs/dbraw/zinc/05/80/67/958058067.db2.gz	JWTWAYIYKOKQRB-GFCCVEGCSA-N	-1	0	295.335	0.901	20	30		CCEDRM
C#CCN(CC(=O)[O-])C(=O)C(=O)Nc1cccc2[nH]ccc21	ZINC001588397915	958067233	/nfs/dbraw/zinc/06/72/33/958067233.db2.gz	YLCSVHOPTFLEJH-UHFFFAOYSA-N	-1	0	299.286	0.653	20	30		CCEDRM
C#CCN(CC(=O)[O-])C(=O)[C@@H]1CCc2ncncc2C1	ZINC001588399587	958073943	/nfs/dbraw/zinc/07/39/43/958073943.db2.gz	MYUUMAHTYITEEJ-SNVBAGLBSA-N	-1	0	273.292	0.128	20	30		CCEDRM
C#CCN(CC(=O)[O-])C(=O)[C@H]1CCc2cccc(O)c21	ZINC001588399990	958077658	/nfs/dbraw/zinc/07/76/58/958077658.db2.gz	QIANAMAPLPZORG-NSHDSACASA-N	-1	0	273.288	0.968	20	30		CCEDRM
C#CCN(CC(=O)[O-])C(=O)/C=C/c1cncc(C)c1	ZINC001588400507	958084203	/nfs/dbraw/zinc/08/42/03/958084203.db2.gz	ZRHVCRAYESWZKJ-SNAWJCMRSA-N	-1	0	258.277	0.950	20	30		CCEDRM
C#CCN(CC(=O)[O-])C(=O)CC(F)(F)C(F)F	ZINC001588402191	958089166	/nfs/dbraw/zinc/08/91/66/958089166.db2.gz	OFAHCERAXZMOGX-UHFFFAOYSA-N	-1	0	255.167	0.823	20	30		CCEDRM
C#CCN(CC(=O)[O-])C(=O)COCc1ccnc(OC)c1	ZINC001588407961	958104921	/nfs/dbraw/zinc/10/49/21/958104921.db2.gz	ZZRDSMKIMGSOIZ-UHFFFAOYSA-N	-1	0	292.291	0.153	20	30		CCEDRM
C#CCN(CC(=O)[O-])C(=O)NCc1ccc(O)cc1	ZINC001588409398	958127973	/nfs/dbraw/zinc/12/79/73/958127973.db2.gz	WWKIQLJILFNOHG-UHFFFAOYSA-N	-1	0	262.265	0.622	20	30		CCEDRM
C#CCN(CC(=O)[O-])C(=O)N[C@@H]1CCOC12CCCC2	ZINC001588410328	958137015	/nfs/dbraw/zinc/13/70/15/958137015.db2.gz	SQARBNHHPUHDDH-LLVKDONJSA-N	-1	0	280.324	0.818	20	30		CCEDRM
C#CCN(CC(=O)[O-])C(=O)Nc1c(C)ccn(C)c1=O	ZINC001588411119	958146235	/nfs/dbraw/zinc/14/62/35/958146235.db2.gz	LYBHQJNFTVBPMS-UHFFFAOYSA-N	-1	0	277.280	0.245	20	30		CCEDRM
C#CCN(CC(=O)[O-])C(=O)N[C@@H]1C[C@@H]2CC[C@H]1O2	ZINC001588411123	958146507	/nfs/dbraw/zinc/14/65/07/958146507.db2.gz	MDLNRWKIZHSZGB-IVZWLZJFSA-N	-1	0	252.270	0.036	20	30		CCEDRM
C#CCN(CC(=O)[O-])C(=O)Nc1cc(C)nnc1N(C)C	ZINC001588411135	958146557	/nfs/dbraw/zinc/14/65/57/958146557.db2.gz	MSSAWPBOOCTJAO-UHFFFAOYSA-N	-1	0	291.311	0.403	20	30		CCEDRM
N#CCc1ccc(S(=O)(=O)N[C@H](C(=O)[O-])C2CC2)cc1	ZINC000092130821	958159747	/nfs/dbraw/zinc/15/97/47/958159747.db2.gz	HRMXVHBIHWOTOS-LBPRGKRZSA-N	-1	0	294.332	0.894	20	30		CCEDRM
C#CCN(CC(=O)[O-])C(=O)c1ccc(C#N)c(O)c1	ZINC001588416736	958165769	/nfs/dbraw/zinc/16/57/69/958165769.db2.gz	SWVLYSSBXLTLOC-UHFFFAOYSA-N	-1	0	258.233	0.424	20	30		CCEDRM
C#CCN(CC(=O)[O-])C(=O)Nc1ncc(COC)s1	ZINC001588417288	958168917	/nfs/dbraw/zinc/16/89/17/958168917.db2.gz	GOVRHCUPMGJUNK-UHFFFAOYSA-N	-1	0	283.309	0.841	20	30		CCEDRM
N#Cc1cccc(N2CC(n3cc(C(=O)[O-])nn3)C2)n1	ZINC000092697770	958172634	/nfs/dbraw/zinc/17/26/34/958172634.db2.gz	SAMPZQIODAGXDE-UHFFFAOYSA-N	-1	0	270.252	0.304	20	30		CCEDRM
C#CCN(CC(=O)[O-])C(=O)c1c2c(ccc1F)OCO2	ZINC001588417445	958172596	/nfs/dbraw/zinc/17/25/96/958172596.db2.gz	OVGNHPLADFXSJA-UHFFFAOYSA-N	-1	0	279.223	0.714	20	30		CCEDRM
C#CCN(CC(=O)[O-])C(=O)c1cncc(OCC(F)F)c1	ZINC001588418401	958177557	/nfs/dbraw/zinc/17/75/57/958177557.db2.gz	DRPBOIXSSIUUBI-UHFFFAOYSA-N	-1	0	298.245	0.886	20	30		CCEDRM
C#CCN(CC(=O)[O-])C(=O)c1cnc2cnccc2c1	ZINC001588418461	958179497	/nfs/dbraw/zinc/17/94/97/958179497.db2.gz	HFFTUFJZZZYTOL-UHFFFAOYSA-N	-1	0	269.260	0.790	20	30		CCEDRM
C#CCN(CC(=O)[O-])C(=O)c1cn(C)nc1-c1ccoc1	ZINC001588418843	958186392	/nfs/dbraw/zinc/18/63/92/958186392.db2.gz	UUJKIDFBMAMJQT-UHFFFAOYSA-N	-1	0	287.275	0.840	20	30		CCEDRM
C#CCN(CC(=O)[O-])C(=O)c1scnc1Cl	ZINC001588420140	958199742	/nfs/dbraw/zinc/19/97/42/958199742.db2.gz	NAKWLAAJDQAUAK-UHFFFAOYSA-N	-1	0	258.686	0.957	20	30		CCEDRM
C#CCN(CC(=O)[O-])CC(=O)c1cc(C(=O)OC)[nH]c1C	ZINC001588420486	958205209	/nfs/dbraw/zinc/20/52/09/958205209.db2.gz	ZZTKOZOGMWFECU-UHFFFAOYSA-N	-1	0	292.291	0.312	20	30		CCEDRM
C#CCN(CC(=O)[O-])Cc1ccccc1C(=O)N(C)C	ZINC001588423701	958206353	/nfs/dbraw/zinc/20/63/53/958206353.db2.gz	CUBBXKBSWANBHE-UHFFFAOYSA-N	-1	0	274.320	0.908	20	30		CCEDRM
C#CCN(CC(=O)[O-])c1nnc(-c2cnccn2)n1CC	ZINC001588426694	958231937	/nfs/dbraw/zinc/23/19/37/958231937.db2.gz	YJMFZBPVOFRCJS-UHFFFAOYSA-N	-1	0	286.295	0.279	20	30		CCEDRM
C#CCN(CC(=O)[O-])c1nnnn1C[C@H]1CCCS1	ZINC001588426846	958234838	/nfs/dbraw/zinc/23/48/38/958234838.db2.gz	DPHXOCWJDMEZHC-SECBINFHSA-N	-1	0	281.341	0.093	20	30		CCEDRM
C#CCN(CC(=O)[O-])c1nnnn1C1C[C@H](C)O[C@@H](C)C1	ZINC001588427036	958238993	/nfs/dbraw/zinc/23/89/93/958238993.db2.gz	KOGFRIPFBIUAQP-UWVGGRQHSA-N	-1	0	293.327	0.326	20	30		CCEDRM
C#CCN(CC(=O)[O-])c1nnc(C2(O)CCC2)n1CC=C	ZINC001588427083	958239641	/nfs/dbraw/zinc/23/96/41/958239641.db2.gz	LTVRGBLLBQMGKP-UHFFFAOYSA-N	-1	0	290.323	0.360	20	30		CCEDRM
C#CCNC(=O)CN[C@@](C)(C(=O)[O-])c1ccccc1	ZINC001588430047	958249501	/nfs/dbraw/zinc/24/95/01/958249501.db2.gz	GTQXGKPNJHSGPL-CQSZACIVSA-N	-1	0	260.293	0.325	20	30		CCEDRM
C#CCN1CCC[C@H](NC(=O)N2CCC(C(=O)[O-])CC2)C1	ZINC001588430187	958252367	/nfs/dbraw/zinc/25/23/67/958252367.db2.gz	JKUHVCVTEIXFNO-ZDUSSCGKSA-N	-1	0	293.367	0.590	20	30		CCEDRM
C#CCOCCN(C)C(=O)c1ccc(OCC(=O)[O-])cc1	ZINC001588431790	958274395	/nfs/dbraw/zinc/27/43/95/958274395.db2.gz	XSADTINVUVFQMI-UHFFFAOYSA-N	-1	0	291.303	0.872	20	30		CCEDRM
C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)[C@H](OC)C(=O)[O-]	ZINC001588440999	958331960	/nfs/dbraw/zinc/33/19/60/958331960.db2.gz	BEGJDIGUKPRYJK-UTLUCORTSA-N	-1	0	257.286	0.183	20	30		CCEDRM
C=C(C)[C@@H]1OCC[C@H]1CNC(=O)[C@H]1CC(C(=O)[O-])=NO1	ZINC001588442989	958348960	/nfs/dbraw/zinc/34/89/60/958348960.db2.gz	WPGBRMZDVXLUEZ-GDPRMGEGSA-N	-1	0	282.296	0.313	20	30		CCEDRM
C=C(C)[C@@H]1OCC[C@@H]1C(=O)Nc1ncn(CC(=O)[O-])n1	ZINC001588444574	958362850	/nfs/dbraw/zinc/36/28/50/958362850.db2.gz	JBCVMSMTGPIPMK-WPRPVWTQSA-N	-1	0	280.284	0.282	20	30		CCEDRM
C=C(Cl)Cn1nnnc1N1CC[C@H](C(=O)[O-])[C@H](C)C1	ZINC001588445977	958377582	/nfs/dbraw/zinc/37/75/82/958377582.db2.gz	XTSDVQCBEUGUQR-APPZFPTMSA-N	-1	0	285.735	0.973	20	30		CCEDRM
C=CC(C)(C)Cn1nnnc1N1CC[C@H](C(=O)[O-])C1	ZINC001588450282	958387988	/nfs/dbraw/zinc/38/79/88/958387988.db2.gz	CDSXLFMLFDBJFN-VIFPVBQESA-N	-1	0	265.317	0.796	20	30		CCEDRM
C=CC[C@H](CO)NC(=O)c1ccc(OCC(=O)[O-])cc1	ZINC001588452704	958425036	/nfs/dbraw/zinc/42/50/36/958425036.db2.gz	HQFBRSOORYPDRI-LLVKDONJSA-N	-1	0	279.292	0.817	20	30		CCEDRM
C=CCCCN(CC)C(=O)c1cn(CC(=O)[O-])nn1	ZINC001588459923	958469927	/nfs/dbraw/zinc/46/99/27/958469927.db2.gz	JDLBURYBWXOCNF-UHFFFAOYSA-N	-1	0	266.301	0.791	20	30		CCEDRM
C=CCCCNC(=O)c1cccn(CC(=O)[O-])c1=O	ZINC001588460073	958472800	/nfs/dbraw/zinc/47/28/00/958472800.db2.gz	VAMXHEZHAGYCSK-UHFFFAOYSA-N	-1	0	264.281	0.629	20	30		CCEDRM
C=CCCOCCNC(=O)[C@H]1CO[C@H](CCC(=O)[O-])C1	ZINC001588460485	958476363	/nfs/dbraw/zinc/47/63/63/958476363.db2.gz	KEGHZBIMZDZYOJ-VXGBXAGGSA-N	-1	0	285.340	0.965	20	30		CCEDRM
C#CCN(CC(=O)[O-])C(=O)c1ncc(Cl)cn1	ZINC001573320323	958476809	/nfs/dbraw/zinc/47/68/09/958476809.db2.gz	KXZQPHWMKBHVCD-UHFFFAOYSA-N	-1	0	253.645	0.290	20	30		CCEDRM
C#CCN(CC(=O)[O-])C[C@H](O)P(=O)(OCC)OCC	ZINC001573320746	958478592	/nfs/dbraw/zinc/47/85/92/958478592.db2.gz	NCJHCAMQPVDTII-LLVKDONJSA-N	-1	0	293.256	0.591	20	30		CCEDRM
C=CCNS(=O)(=O)c1ccccc1N(C)CC(=O)[O-]	ZINC001588465065	958494929	/nfs/dbraw/zinc/49/49/29/958494929.db2.gz	GAYUKWSCEDSYLQ-UHFFFAOYSA-N	-1	0	284.337	0.672	20	30		CCEDRM
C=CCCC[C@@H](NC(=O)[C@](C)(OC)C(=O)[O-])C(=O)OC	ZINC001573328139	958496803	/nfs/dbraw/zinc/49/68/03/958496803.db2.gz	BRVVLPMSUUHJCY-RNCFNFMXSA-N	-1	0	287.312	0.490	20	30		CCEDRM
C=CCNC(=O)CNC(=O)C1(C(=O)[O-])CCCCC1	ZINC001588465369	958501164	/nfs/dbraw/zinc/50/11/64/958501164.db2.gz	GFNQMWBFMGCZRP-UHFFFAOYSA-N	-1	0	268.313	0.440	20	30		CCEDRM
C=CCNC(=O)COC(=O)/C=C\c1ccc(C(=O)[O-])o1	ZINC001588465554	958505553	/nfs/dbraw/zinc/50/55/53/958505553.db2.gz	SIIKMLRYECIHAZ-XQRVVYSFSA-N	-1	0	279.248	0.836	20	30		CCEDRM
C=CCOCCn1cc(CN2CCC[C@@H]2C(=O)[O-])nn1	ZINC001588466415	958511718	/nfs/dbraw/zinc/51/17/18/958511718.db2.gz	OXGLZGWFUNNKGO-GFCCVEGCSA-N	-1	0	280.328	0.530	20	30		CCEDRM
C=CCn1c([C@@H](O)C2CC2)nnc1N1CC[C@H](C(=O)[O-])C1	ZINC001588470365	958525023	/nfs/dbraw/zinc/52/50/23/958525023.db2.gz	LCPRJEDBKADEML-QWRGUYRKSA-N	-1	0	292.339	0.818	20	30		CCEDRM
CC#CC[C@H](CO)NC(=O)c1ccc(C(=O)[O-])cc1	ZINC001588478542	958568715	/nfs/dbraw/zinc/56/87/15/958568715.db2.gz	FUFPVNNOKOCGNV-GFCCVEGCSA-N	-1	0	261.277	0.889	20	30		CCEDRM
CC#CCNC(=O)C(=O)Nc1ccc(C(=O)[O-])c(C)c1	ZINC001588478950	958575651	/nfs/dbraw/zinc/57/56/51/958575651.db2.gz	QKSVLYZDPRCBEV-UHFFFAOYSA-N	-1	0	274.276	0.771	20	30		CCEDRM
C[C@@](C#N)(CC(=O)[O-])C(=O)N1C[C@@H]2C[C@H](O)CC[C@@H]2C1	ZINC001573359520	958584042	/nfs/dbraw/zinc/58/40/42/958584042.db2.gz	BJUQZLFZLBBCJR-DEKYYXRVSA-N	-1	0	280.324	0.610	20	30		CCEDRM
C[C@](C#N)(CC(=O)[O-])C(=O)NCCSCCCO	ZINC001573363708	958607973	/nfs/dbraw/zinc/60/79/73/958607973.db2.gz	LEDZDJQJIAPPKI-LLVKDONJSA-N	-1	0	274.342	0.223	20	30		CCEDRM
C[C@](C#N)(CC(=O)[O-])C(=O)N[C@@H]1CC12CCOCC2	ZINC001573364755	958617511	/nfs/dbraw/zinc/61/75/11/958617511.db2.gz	QQVRJGJBVUYONJ-BXKDBHETSA-N	-1	0	266.297	0.676	20	30		CCEDRM
Cc1ccc2ncc(C#N)c(OCC(=O)NCC(=O)[O-])c2c1	ZINC001594385020	958653425	/nfs/dbraw/zinc/65/34/25/958653425.db2.gz	BTGFXBDXADHQEE-UHFFFAOYSA-N	-1	0	299.286	0.995	20	30		CCEDRM
COc1cccnc1CNC(=O)[C@](C)(C#N)CC(=O)[O-]	ZINC001594148114	958782125	/nfs/dbraw/zinc/78/21/25/958782125.db2.gz	ODMGRGIBLWIBSU-ZDUSSCGKSA-N	-1	0	277.280	0.711	20	30		CCEDRM
C[C@](C#N)(CC(=O)[O-])C(=O)N1CC[C@@H](Cn2ccnn2)C1	ZINC001588534866	958925508	/nfs/dbraw/zinc/92/55/08/958925508.db2.gz	KFUOUUOWPZLJBN-ZWNOBZJWSA-N	-1	0	291.311	0.131	20	30		CCEDRM
C[C@@](C#N)(CC(=O)[O-])C(=O)N1CCC2(COC2)C1	ZINC001588536749	958935128	/nfs/dbraw/zinc/93/51/28/958935128.db2.gz	YZVXBTUHVPCADN-NSHDSACASA-N	-1	0	252.270	0.240	20	30		CCEDRM
C[C@@](C#N)(CC(=O)[O-])C(=O)N[C@@H]1CCN(CC(F)F)C1	ZINC001588538014	958937688	/nfs/dbraw/zinc/93/76/88/958937688.db2.gz	CBFHINJHEPXKKQ-PELKAZGASA-N	-1	0	289.282	0.447	20	30		CCEDRM
C[C@](C#N)(CC(=O)[O-])C(=O)N[C@H](CO)c1ccsc1	ZINC001588538603	958942564	/nfs/dbraw/zinc/94/25/64/958942564.db2.gz	LHRLOWDWBNPECC-BXKDBHETSA-N	-1	0	282.321	0.902	20	30		CCEDRM
C[C@](C#N)(CC(=O)[O-])C(=O)N1CCC[C@H](O)CC1	ZINC001588538838	958946173	/nfs/dbraw/zinc/94/61/73/958946173.db2.gz	OHRQJXFXQQAETH-JOYOIKCWSA-N	-1	0	254.286	0.364	20	30		CCEDRM
C[C@@](C#N)(CC(=O)[O-])C(=O)OC[C@H]1CN(C2CC2)C(=O)O1	ZINC001588540035	958956976	/nfs/dbraw/zinc/95/69/76/958956976.db2.gz	MSJZASGMGDTOKB-RNCFNFMXSA-N	-1	0	296.279	0.517	20	30		CCEDRM
CC(C)(C)n1nnc(CNC(=O)[C@](C)(C#N)CC(=O)[O-])n1	ZINC001588542057	958969356	/nfs/dbraw/zinc/96/93/56/958969356.db2.gz	RDOCLRXFNUMGSV-LBPRGKRZSA-N	-1	0	294.315	0.049	20	30		CCEDRM
C[C@H](C#N)CNC(=O)N1C[C@H](C)C[C@@H](C(=O)[O-])C1	ZINC001588542669	958972970	/nfs/dbraw/zinc/97/29/70/958972970.db2.gz	BODVXELJJLFNPP-OPRDCNLKSA-N	-1	0	253.302	0.898	20	30		CCEDRM
C[C@@H](C#N)OCCn1cc(CN2CCC[C@@H]2C(=O)[O-])nn1	ZINC001588542926	958974511	/nfs/dbraw/zinc/97/45/11/958974511.db2.gz	FPNDJWPXSCAFSL-CMPLNLGQSA-N	-1	0	293.327	0.256	20	30		CCEDRM
C[C@](C#N)(CC(=O)[O-])C(=O)OCc1nnc2n1CCCC2	ZINC001588543414	958978590	/nfs/dbraw/zinc/97/85/90/958978590.db2.gz	LKXYYFPOYCQTCZ-CYBMUJFWSA-N	-1	0	292.295	0.662	20	30		CCEDRM
C[C@](C#N)(CC(=O)[O-])C(=O)NCC1(CO)CCC1	ZINC001588557274	959065504	/nfs/dbraw/zinc/06/55/04/959065504.db2.gz	IHDXBKYTAWUTLP-LLVKDONJSA-N	-1	0	254.286	0.270	20	30		CCEDRM
C#C[C@@H](C)NS(=O)(=O)c1ccc(C(=O)[O-])cc1	ZINC000158966996	959100598	/nfs/dbraw/zinc/10/05/98/959100598.db2.gz	DKSKFPVDAZQXLU-MRVPVSSYSA-N	-1	0	253.279	0.685	20	30		CCEDRM
C#CC[C@@H](NS(=O)(=O)c1ccc(C)c(F)c1)C(=O)[O-]	ZINC000161249426	959178696	/nfs/dbraw/zinc/17/86/96/959178696.db2.gz	ZCTUXBAVVABJBQ-LLVKDONJSA-N	-1	0	285.296	0.889	20	30		CCEDRM
O=C([O-])[C@@H]1C[C@H](NC(=O)NCC#CCO)c2ccccc21	ZINC001605752969	972415346	/nfs/dbraw/zinc/41/53/46/972415346.db2.gz	SYLUMEZLMCJQHJ-OLZOCXBDSA-N	-1	0	288.303	0.595	20	30		CCEDRM
C[C@H](CC(=O)[O-])NC(=O)CNc1ccc(C#N)cn1	ZINC001573572980	959310177	/nfs/dbraw/zinc/31/01/77/959310177.db2.gz	CGFHBGAIWABKHQ-MRVPVSSYSA-N	-1	0	262.269	0.345	20	30		CCEDRM
Cc1ncoc1CNC(=O)[C@](C)(C#N)CC(=O)[O-]	ZINC001594474977	959584233	/nfs/dbraw/zinc/58/42/33/959584233.db2.gz	IZIBCIFIDMPADT-NSHDSACASA-N	-1	0	251.242	0.604	20	30		CCEDRM
C[C@](O)(CNc1ccc(C#N)c([N+](=O)[O-])c1)C(=O)[O-]	ZINC001603264088	972451672	/nfs/dbraw/zinc/45/16/72/972451672.db2.gz	ZMZSPWMRYUZYHY-NSHDSACASA-N	-1	0	265.225	0.714	20	30		CCEDRM
C[C@H](OC(=O)[C@](C)(C#N)CC(=O)[O-])c1nnnn1C1CC1	ZINC001603268647	972468528	/nfs/dbraw/zinc/46/85/28/972468528.db2.gz	LTFDXSYROXEZMK-MADCSZMMSA-N	-1	0	293.283	0.617	20	30		CCEDRM
C#CCCCCNC(=O)NCCn1cc(C(=O)[O-])nn1	ZINC000229756668	960092762	/nfs/dbraw/zinc/09/27/62/960092762.db2.gz	SNCNMLHPZZIOQG-UHFFFAOYSA-N	-1	0	279.300	0.079	20	30		CCEDRM
N#Cc1ccc(CC(=O)NC[C@]2(C(=O)[O-])CCOC2)cc1	ZINC001571034780	960513215	/nfs/dbraw/zinc/51/32/15/960513215.db2.gz	UUXUSZBGNOWPIK-OAHLLOKOSA-N	-1	0	288.303	0.708	20	30		CCEDRM
N#Cc1cccc(C(=O)N[C@H](C[C@H]2CCCO2)C(=O)[O-])n1	ZINC001571035003	960518793	/nfs/dbraw/zinc/51/87/93/960518793.db2.gz	FWVYEUDQEIFYND-ZYHUDNBSSA-N	-1	0	289.291	0.705	20	30		CCEDRM
C[C@H]1CN(C(=O)Nc2nn(C)cc2C#N)CC[C@@H]1C(=O)[O-]	ZINC001573750042	960550095	/nfs/dbraw/zinc/55/00/95/960550095.db2.gz	UQRNJRWMLRPMHA-WPRPVWTQSA-N	-1	0	291.311	0.866	20	30		CCEDRM
C[C@@H](NC(=O)[C@](C)(C#N)CC(=O)[O-])c1cnccn1	ZINC001574259499	960560537	/nfs/dbraw/zinc/56/05/37/960560537.db2.gz	KNAGVSCNYLJXSO-PELKAZGASA-N	-1	0	262.269	0.658	20	30		CCEDRM
CC[C@@H](C#N)C(=O)N1C[C@H]2COC[C@@]2(C(=O)[O-])C1	ZINC001573759627	960600288	/nfs/dbraw/zinc/60/02/88/960600288.db2.gz	RNVWCOAUIIFAHU-AUTRQRHGSA-N	-1	0	252.270	0.096	20	30		CCEDRM
Cc1c(C(=O)N[C@@]2(C(=O)[O-])CCOC2)cnn1CCC#N	ZINC001574296464	960696160	/nfs/dbraw/zinc/69/61/60/960696160.db2.gz	LKMRUSZFUYPMFM-ZDUSSCGKSA-N	-1	0	292.295	0.079	20	30		CCEDRM
Cc1cc(NC(=O)c2cn(CC(=O)[O-])nn2)ncc1C#N	ZINC001574341385	960940599	/nfs/dbraw/zinc/94/05/99/960940599.db2.gz	POMPAFUOKMOSOM-UHFFFAOYSA-N	-1	0	286.251	0.190	20	30		CCEDRM
Cc1ncc(CNC(=O)[C@@](C)(C#N)CC(=O)[O-])o1	ZINC001574426787	961368839	/nfs/dbraw/zinc/36/88/39/961368839.db2.gz	LEGZTIRIIUCLCM-LLVKDONJSA-N	-1	0	251.242	0.604	20	30		CCEDRM
CCOC(OCC)[C@H](C)NC(=O)[C@@](C)(C#N)CC(=O)[O-]	ZINC001573908675	961471911	/nfs/dbraw/zinc/47/19/11/961471911.db2.gz	SIQYNSBAULCNSL-TVQRCGJNSA-N	-1	0	286.328	0.895	20	30		CCEDRM
CC(C)[C@@](C)(C#N)NC(=O)COC(=O)C1(C(=O)[O-])CCC1	ZINC001588813108	961535988	/nfs/dbraw/zinc/53/59/88/961535988.db2.gz	ULKMLVDQRFIHCT-CYBMUJFWSA-N	-1	0	296.323	0.839	20	30		CCEDRM
N#Cc1n[nH]cc1NC(=O)c1ccc(C(=O)[O-])cn1	ZINC001574479555	961650167	/nfs/dbraw/zinc/65/01/67/961650167.db2.gz	JGYITNQBLHYIGF-UHFFFAOYSA-N	-1	0	257.209	0.627	20	30		CCEDRM
N#Cc1n[nH]cc1NC(=O)[C@H]1CO[C@H](CCC(=O)[O-])C1	ZINC001574479648	961653063	/nfs/dbraw/zinc/65/30/63/961653063.db2.gz	NTBINPZAYDIZHY-HTQZYQBOSA-N	-1	0	278.268	0.490	20	30		CCEDRM
N#CC[C@@]1(O)CCN(C(=O)[C@H]2CC[C@@H](C(=O)[O-])C2)C1	ZINC001574480028	961656076	/nfs/dbraw/zinc/65/60/76/961656076.db2.gz	AGBZYAYGZCIVHE-OPQQBVKSSA-N	-1	0	266.297	0.364	20	30		CCEDRM
N#C[C@H]1CSCCN1C(=O)[C@@H]1CC[C@H]1C(=O)[O-]	ZINC001574481077	961669317	/nfs/dbraw/zinc/66/93/17/961669317.db2.gz	ULBMIWHZCUWXKH-DJLDLDEBSA-N	-1	0	254.311	0.565	20	30		CCEDRM
N#CC[C@@H](NC(=O)c1cc(C(=O)[O-])n[nH]1)C(F)(F)F	ZINC001574481286	961671699	/nfs/dbraw/zinc/67/16/99/961671699.db2.gz	YEAAEGRIKKMERK-ZCFIWIBFSA-N	-1	0	276.174	0.682	20	30		CCEDRM
N#Cc1cnccc1NC(=O)[C@@H]1CO[C@H](CCC(=O)[O-])C1	ZINC001574492872	961715012	/nfs/dbraw/zinc/71/50/12/961715012.db2.gz	DGKZAHSBOFMDQB-GXSJLCMTSA-N	-1	0	289.291	0.584	20	30		CCEDRM
N#Cc1c[nH]nc1NC(=O)c1ccc(OCC(=O)[O-])cc1	ZINC001574494042	961722131	/nfs/dbraw/zinc/72/21/31/961722131.db2.gz	TZXRKKMTCSCNLY-UHFFFAOYSA-N	-1	0	286.247	0.997	20	30		CCEDRM
COCC[C@H](COC)NC(=O)[C@](C)(C#N)CC(=O)[O-]	ZINC001574142869	962595322	/nfs/dbraw/zinc/59/53/22/962595322.db2.gz	GDPHTGJQKYHJSX-SKDRFNHKSA-N	-1	0	272.301	0.159	20	30		CCEDRM
C#CCCS(=O)(=O)NCc1ccc(C(=O)[O-])c(OC)c1	ZINC001573301479	962628640	/nfs/dbraw/zinc/62/86/40/962628640.db2.gz	CXAZYXQFXGTKFE-UHFFFAOYSA-N	-1	0	297.332	0.836	20	30		CCEDRM
C#CCCN(CCOC)C(=O)CCSCC(=O)[O-]	ZINC001573301865	962637955	/nfs/dbraw/zinc/63/79/55/962637955.db2.gz	KVNUMLGTRSSNHH-UHFFFAOYSA-N	-1	0	273.354	0.693	20	30		CCEDRM
C#CCCCC(=O)N1C[C@@H](C)[C@H](NC(=O)CNC(=O)[O-])C1	ZINC001573303944	962683399	/nfs/dbraw/zinc/68/33/99/962683399.db2.gz	VANMLAFWLXKPHU-GHMZBOCLSA-N	-1	0	295.339	0.021	20	30		CCEDRM
C=C(CCC(=O)[O-])C(=O)N1CCO[C@]2(CCO[C@@H]2C)C1	ZINC001573332188	962827366	/nfs/dbraw/zinc/82/73/66/962827366.db2.gz	KGRUJUOWQAXLHH-BXUZGUMPSA-N	-1	0	283.324	0.814	20	30		CCEDRM
C=C(CCC(=O)[O-])C(=O)NC1(C(N)=O)CCCC1	ZINC001573332729	962840989	/nfs/dbraw/zinc/84/09/89/962840989.db2.gz	OCMGCWOVJVPICM-UHFFFAOYSA-N	-1	0	254.286	0.322	20	30		CCEDRM
C=C(CCC(=O)[O-])C(=O)N[C@H](C)c1nnnn1C1CC1	ZINC001573333123	962851531	/nfs/dbraw/zinc/85/15/31/962851531.db2.gz	VQPXZJJBXHJNSF-MRVPVSSYSA-N	-1	0	279.300	0.606	20	30		CCEDRM
C=C(CCC(=O)[O-])C(=O)N[C@@H](COC)C(=O)OCC	ZINC001573336827	962860956	/nfs/dbraw/zinc/86/09/56/962860956.db2.gz	GWSPXNGJKNLVBE-VIFPVBQESA-N	-1	0	273.285	0.102	20	30		CCEDRM
C=C(CO)C(=O)N(C)c1ccc(OCC(=O)[O-])cc1	ZINC001573338500	962874943	/nfs/dbraw/zinc/87/49/43/962874943.db2.gz	COFZYQZYLOZRAY-UHFFFAOYSA-N	-1	0	265.265	0.661	20	30		CCEDRM
C=C(Cl)CN1CCC[C@@H](NC(=O)CNC(=O)[O-])[C@@H]1C	ZINC001573338905	962883710	/nfs/dbraw/zinc/88/37/10/962883710.db2.gz	KLPSOABMEDHVTJ-VHSXEESVSA-N	-1	0	289.763	0.976	20	30		CCEDRM
C=CC(C)(C)C(=O)NCC1CN(C(=O)[C@@H]2C[C@H]2C(=O)[O-])C1	ZINC001573348429	962959077	/nfs/dbraw/zinc/95/90/77/962959077.db2.gz	XAESCDDHXFFXGJ-GHMZBOCLSA-N	-1	0	294.351	0.494	20	30		CCEDRM
C=CC1CCN(S(=O)(=O)c2cc(C(=O)[O-])[nH]n2)CC1	ZINC001573350207	962967554	/nfs/dbraw/zinc/96/75/54/962967554.db2.gz	GEYDFKRWROCMAS-UHFFFAOYSA-N	-1	0	285.325	0.695	20	30		CCEDRM
C=CCCC(=O)N(C)C1CN(C(=O)[C@@H]2C[C@H]2C(=O)[O-])C1	ZINC001573353131	962998116	/nfs/dbraw/zinc/99/81/16/962998116.db2.gz	PNFBVZGFTUXSAV-GHMZBOCLSA-N	-1	0	280.324	0.343	20	30		CCEDRM
CC(=O)N[C@@H](CSc1nc(C)ccc1C#N)C(=O)[O-]	ZINC000300449177	963010360	/nfs/dbraw/zinc/01/03/60/963010360.db2.gz	USBKXUSAZCGEDW-JTQLQIEISA-N	-1	0	279.321	0.943	20	30		CCEDRM
CC(=O)N[C@@H](C[S@@](=O)CCC(C)(C)C#N)C(=O)[O-]	ZINC000300450701	963011496	/nfs/dbraw/zinc/01/14/96/963011496.db2.gz	ZDICIVGDDYIGLS-YYSFKGJASA-N	-1	0	274.342	0.264	20	30		CCEDRM
N#Cc1cccc(NC(=O)c2cc(C(=O)[O-])on2)n1	ZINC001570980673	963089651	/nfs/dbraw/zinc/08/96/51/963089651.db2.gz	ZXHSZCOHVNCPPV-UHFFFAOYSA-N	-1	0	258.193	0.892	20	30		CCEDRM
CC[C@H](CNC(=O)Nc1nn(C)cc1C#N)C(=O)[O-]	ZINC001570985475	963119628	/nfs/dbraw/zinc/11/96/28/963119628.db2.gz	ZCOOBVWSOADDDP-SSDOTTSWSA-N	-1	0	265.273	0.524	20	30		CCEDRM
N#C[C@H]1C[C@H]1C(=O)N[C@@H](C[C@H]1CCCOC1)C(=O)[O-]	ZINC001570986841	963121406	/nfs/dbraw/zinc/12/14/06/963121406.db2.gz	DELMAQRDWZDKNQ-DBIOUOCHSA-N	-1	0	266.297	0.532	20	30		CCEDRM
N#Cc1ccc(C(=O)N[C@H]2CCO[C@H]2C(=O)[O-])s1	ZINC001570987479	963126085	/nfs/dbraw/zinc/12/60/85/963126085.db2.gz	QHOKHBZMERVXPV-IONNQARKSA-N	-1	0	266.278	0.592	20	30		CCEDRM
N#Cc1cccc(C(=O)NC[C@]2(C(=O)[O-])CCOC2)c1	ZINC001571001993	963220472	/nfs/dbraw/zinc/22/04/72/963220472.db2.gz	MMJDHROBMGHACM-CQSZACIVSA-N	-1	0	274.276	0.779	20	30		CCEDRM
C[C@H](C(=O)N[C@H]1CC[C@@H](C(=O)[O-])C1)n1cnc(C#N)n1	ZINC001571005860	963246302	/nfs/dbraw/zinc/24/63/02/963246302.db2.gz	FQCHHFCUKKIBOK-HLTSFMKQSA-N	-1	0	277.284	0.080	20	30		CCEDRM
N#C[C@@H]1COCCN1C(=O)CC[C@@H]1C[C@H](C(=O)[O-])CO1	ZINC001571018545	963320608	/nfs/dbraw/zinc/32/06/08/963320608.db2.gz	CDGCQPACHVMUMP-HBNTYKKESA-N	-1	0	282.296	0.007	20	30		CCEDRM
CC[C@H](CNC(=O)N1CCC(C#N)(C(=O)[O-])CC1)OC	ZINC001571024022	963355109	/nfs/dbraw/zinc/35/51/09/963355109.db2.gz	DOVWZCHFPROPNQ-SNVBAGLBSA-N	-1	0	283.328	0.811	20	30		CCEDRM
N#CCCCCNS(=O)(=O)c1cc(C(=O)[O-])ccn1	ZINC000311901660	963520933	/nfs/dbraw/zinc/52/09/33/963520933.db2.gz	ALZYUNWGAWYAKU-UHFFFAOYSA-N	-1	0	283.309	0.752	20	30		CCEDRM
C=C(C)Cn1c(C[C@@H](C)O)nnc1N1CC[C@@H](C(=O)[O-])C1	ZINC001588442921	964059373	/nfs/dbraw/zinc/05/93/73/964059373.db2.gz	LXGGGXVGWUQLIY-GHMZBOCLSA-N	-1	0	294.355	0.688	20	30		CCEDRM
C=C(C)C[C@H](NC(C)=O)C(=O)NC[C@H](CC)C(=O)[O-]	ZINC001588442970	964059445	/nfs/dbraw/zinc/05/94/45/964059445.db2.gz	VYVBNFUNMJUKDF-QWRGUYRKSA-N	-1	0	270.329	0.684	20	30		CCEDRM
C=C(C)C[C@@H](NC(C)=O)C(=O)N(C)C[C@@H](C)C(=O)[O-]	ZINC001588443154	964060381	/nfs/dbraw/zinc/06/03/81/964060381.db2.gz	YKVLJTDVKKZETC-MWLCHTKSSA-N	-1	0	270.329	0.636	20	30		CCEDRM
C=C(Cl)C[C@H]1NC(=O)N(CCCC(=O)[O-])C1=O	ZINC001588445434	964067091	/nfs/dbraw/zinc/06/70/91/964067091.db2.gz	KBOGMZQFQSSMRH-SSDOTTSWSA-N	-1	0	260.677	0.914	20	30		CCEDRM
C[C@@H](NS(=O)(=O)c1ccc(CC#N)cc1)C(=O)[O-]	ZINC000092130645	967592025	/nfs/dbraw/zinc/59/20/25/967592025.db2.gz	FWEZMRURQVUPQG-MRVPVSSYSA-N	-1	0	268.294	0.504	20	30		CCEDRM
N#CCc1ccc(S(=O)(=O)N2CCC[C@@H]2C(=O)[O-])cc1	ZINC000092130611	967592151	/nfs/dbraw/zinc/59/21/51/967592151.db2.gz	IFOKOXSYHRAQLF-GFCCVEGCSA-N	-1	0	294.332	0.990	20	30		CCEDRM
C#CCN(CC(=O)[O-])C(=O)c1cc(=O)[nH]c2ccccc21	ZINC000092478037	967595863	/nfs/dbraw/zinc/59/58/63/967595863.db2.gz	SMCZZWNPTBEIDQ-UHFFFAOYSA-N	-1	0	284.271	0.688	20	30		CCEDRM
N#Cc1cccc(NC(=O)[C@H]2CC(C(=O)[O-])=NO2)c1	ZINC000230756074	967728310	/nfs/dbraw/zinc/72/83/10/967728310.db2.gz	ZVURFXRIMXSIMQ-SNVBAGLBSA-N	-1	0	259.221	0.726	20	30		CCEDRM
CC(C)(C#N)CCCCN1CCN(C(=O)C(=O)[O-])CC1	ZINC000396721937	968229829	/nfs/dbraw/zinc/22/98/29/968229829.db2.gz	VJPSFBSQTASMRC-UHFFFAOYSA-N	-1	0	281.356	0.935	20	30		CCEDRM
C#CCN(CC(=O)[O-])C(=O)N[C@@H]1CC[C@H]2C[C@H]2C1	ZINC000403065953	968317658	/nfs/dbraw/zinc/31/76/58/968317658.db2.gz	DRVPCPWRUUKJSL-GARJFASQSA-N	-1	0	250.298	0.904	20	30		CCEDRM
C[C@@H](C(=O)[O-])C(=O)OCC(=O)NCc1cccc(C#N)c1	ZINC001609706349	970481225	/nfs/dbraw/zinc/48/12/25/970481225.db2.gz	PUHZBTZJFBWDSC-VIFPVBQESA-N	-1	0	290.275	0.438	20	30		CCEDRM
CC[C@@H](OC(=O)[C@@H](C)n1cnc(C#N)n1)C(=O)[O-]	ZINC001610152492	970687993	/nfs/dbraw/zinc/68/79/93/970687993.db2.gz	YTKVIKCEXPBEEJ-RNFRBKRXSA-N	-1	0	252.230	0.117	20	30		CCEDRM
CC1(C)C[C@@]1(C(=O)[O-])C(=O)NC[C@@H]1CCCN(CC#N)C1	ZINC001603321784	972645344	/nfs/dbraw/zinc/64/53/44/972645344.db2.gz	YTJCPQDXSNPBNA-NHYWBVRUSA-N	-1	0	293.367	0.839	20	30		CCEDRM
Cc1cc(C[NH2+][C@H](CC(=O)[O-])C(=O)[O-])ccc1C#N	ZINC001605171276	972872037	/nfs/dbraw/zinc/87/20/37/972872037.db2.gz	RINPRQAUPJVMEW-LLVKDONJSA-N	-1	0	262.265	0.884	20	30		CCEDRM
COC(=O)CCN(CC(=O)[O-])C(=O)c1sccc1C#N	ZINC001604311699	972972265	/nfs/dbraw/zinc/97/22/65/972972265.db2.gz	UVPUVQNZKAEBKA-UHFFFAOYSA-N	-1	0	296.304	0.710	20	30		CCEDRM
CO[C@H](C(=O)[O-])C(=O)Nc1nn(C(C)(C)C)cc1C#N	ZINC001604442562	973250392	/nfs/dbraw/zinc/25/03/92/973250392.db2.gz	WNONRDAWAHHNGW-QMMMGPOBSA-N	-1	0	280.284	0.548	20	30		CCEDRM
CO[C@@](C)(C(=O)[O-])C(=O)NCC#Cc1ccccc1	ZINC001604454927	973289353	/nfs/dbraw/zinc/28/93/53/973289353.db2.gz	ITKXXXYRAZAQBL-CQSZACIVSA-N	-1	0	261.277	0.644	20	30		CCEDRM
Cc1nnc(COC(=O)[C@](C)(C#N)CC(=O)[O-])[nH]1	ZINC001605388410	973362698	/nfs/dbraw/zinc/36/26/98/973362698.db2.gz	QPNCLDFWDWHYNO-JTQLQIEISA-N	-1	0	252.230	0.161	20	30		CCEDRM
N#Cc1ccc(C(=O)N2C[C@H](O)C[C@H](C(=O)[O-])C2)cc1	ZINC000401869892	973471870	/nfs/dbraw/zinc/47/18/70/973471870.db2.gz	HTKGFZRHIXUTNP-NWDGAFQWSA-N	-1	0	274.276	0.466	20	30		CCEDRM
COC[C@@]1(C(=O)[O-])CCN(C(=O)NCC(C)(C)C#N)C1	ZINC001604532783	973488041	/nfs/dbraw/zinc/48/80/41/973488041.db2.gz	FTDURJNVFBMFEK-CYBMUJFWSA-N	-1	0	283.328	0.669	20	30		CCEDRM
N#Cc1ccc(CN2C[C@H](O)C[C@H]2C(=O)[O-])cc1F	ZINC000404188359	973706879	/nfs/dbraw/zinc/70/68/79/973706879.db2.gz	GUGYHAALJPAFMD-PWSUYJOCSA-N	-1	0	264.256	0.717	20	30		CCEDRM
O=C([O-])CSCC(=O)N1CCC2(CC1)CC(=O)C=CO2	ZINC001606300398	973708802	/nfs/dbraw/zinc/70/88/02/973708802.db2.gz	DLWMEMSYPIJHMG-UHFFFAOYSA-N	-1	0	299.348	0.669	20	30		CCEDRM
Cn1nccc1C(=O)/C=C/c1cc(C(=O)[O-])nn1C	ZINC001605540102	973743338	/nfs/dbraw/zinc/74/33/38/973743338.db2.gz	MNZCFBJKDYDYLO-ONEGZZNKSA-N	-1	0	260.253	0.748	20	30		CCEDRM
N#CC1(CNC(=O)[C@]2(C(=O)[O-])CCCO2)CCC1	ZINC001605575992	973843598	/nfs/dbraw/zinc/84/35/98/973843598.db2.gz	HFIZBKJBSRDUPE-LBPRGKRZSA-N	-1	0	252.270	0.430	20	30		CCEDRM
C#C[C@@H](C)NC(=O)N1CCC2(C[C@H]2C(=O)[O-])CC1	ZINC000405380590	973860308	/nfs/dbraw/zinc/86/03/08/973860308.db2.gz	GNDKYFHKZDPXIE-ZJUUUORDSA-N	-1	0	250.298	0.904	20	30		CCEDRM
N#CCCNC(=O)NC[C@@H]1CCC2(CC(C(=O)[O-])C2)O1	ZINC001605585594	973877451	/nfs/dbraw/zinc/87/74/51/973877451.db2.gz	GQDSFVUAJSJZJS-QUNCOHTASA-N	-1	0	281.312	0.612	20	30		CCEDRM
N#Cc1ccc(NCC(=O)N[C@]2(C(=O)[O-])CCOC2)cc1	ZINC001605612954	973931017	/nfs/dbraw/zinc/93/10/17/973931017.db2.gz	UONMXAGOGLAHNT-CQSZACIVSA-N	-1	0	289.291	0.330	20	30		CCEDRM
N#Cc1cccc(NCCOCCOCC(=O)[O-])n1	ZINC001605617460	973933518	/nfs/dbraw/zinc/93/35/18/973933518.db2.gz	GAFHUSVFNNDLET-UHFFFAOYSA-N	-1	0	265.269	0.483	20	30		CCEDRM
CC[C@@H](C#N)NC(=O)[C@@H]1CO[C@H](CCC(=O)[O-])C1	ZINC001603901631	974403941	/nfs/dbraw/zinc/40/39/41/974403941.db2.gz	QVIAWICIBYHITH-LPEHRKFASA-N	-1	0	254.286	0.675	20	30		CCEDRM
CC(C)[C@H](NC(=O)Cc1ccc(C#N)nc1)C(=O)[O-]	ZINC001591883860	976244665	/nfs/dbraw/zinc/24/46/65/976244665.db2.gz	QZWAFIUJBZRYTQ-LBPRGKRZSA-N	-1	0	261.281	0.721	20	30		CCEDRM
C[C@@H](/C=C/C(=O)[O-])NS(=O)(=O)CC(C)(C)CC#N	ZINC001592219787	977390052	/nfs/dbraw/zinc/39/00/52/977390052.db2.gz	VJAVBWLNSMZCPQ-MOVJSRMASA-N	-1	0	274.342	0.875	20	30		CCEDRM
C[C@H](CC#N)NC(=O)C(=O)Nc1cc(C(=O)[O-])cs1	ZINC001592221774	977402933	/nfs/dbraw/zinc/40/29/33/977402933.db2.gz	NJLUPDLLNMCXEM-ZCFIWIBFSA-N	-1	0	281.293	0.803	20	30		CCEDRM
C[C@H](CC#N)N(C)C(=O)[C@H]1C[C@@H](C)[C@H](C(=O)[O-])O1	ZINC001592222244	977406083	/nfs/dbraw/zinc/40/60/83/977406083.db2.gz	SQJUOOIREDSCHJ-ZYUZMQFOSA-N	-1	0	254.286	0.625	20	30		CCEDRM
C[C@H](CC#N)NS(=O)(=O)c1cncc(C(=O)[O-])c1	ZINC001592225958	977415230	/nfs/dbraw/zinc/41/52/30/977415230.db2.gz	QLQJLNZTJQBFPD-SSDOTTSWSA-N	-1	0	269.282	0.360	20	30		CCEDRM
CC(CCC(=O)[O-])N=Nc1nc2[nH][nH]cc-2c(=O)n1	ZINC001592471042	978228930	/nfs/dbraw/zinc/22/89/30/978228930.db2.gz	USYLBJCGQNTVJW-UHFFFAOYSA-N	-1	0	264.245	0.085	20	30		CCEDRM
CC[C@@H](CNC(=O)C(=O)Nc1sccc1C#N)C(=O)[O-]	ZINC001595135571	979577984	/nfs/dbraw/zinc/57/79/84/979577984.db2.gz	WUIQJOMKGBCDBG-ZETCQYMHSA-N	-1	0	295.320	0.785	20	30		CCEDRM
CC[C@H](C(=O)[O-])C(=O)N1CCN(C2CC2)[C@@H](C#N)C1	ZINC001594745936	981633689	/nfs/dbraw/zinc/63/36/89/981633689.db2.gz	YZRBDSWKWDFVGF-QWRGUYRKSA-N	-1	0	265.313	0.296	20	30		CCEDRM
CC[C@@](C)(C#N)C(=O)N1CCC(O)(C(=O)[O-])CC1	ZINC001594777629	981770086	/nfs/dbraw/zinc/77/00/86/981770086.db2.gz	CHBZQSVJCQYANK-NSHDSACASA-N	-1	0	254.286	0.364	20	30		CCEDRM
CC[C@@](C)(C#N)C(=O)OCC(=O)C1(C(=O)[O-])CC1	ZINC001594778453	981776880	/nfs/dbraw/zinc/77/68/80/981776880.db2.gz	SBEQJJALPHLXCV-NSHDSACASA-N	-1	0	253.254	0.903	20	30		CCEDRM
CCCC[C@@H](C(=O)[O-])n1cc(CNCC#N)nn1	ZINC001595629383	981799808	/nfs/dbraw/zinc/79/98/08/981799808.db2.gz	GPVWKHLSQHYYCX-JTQLQIEISA-N	-1	0	251.290	0.707	20	30		CCEDRM
CCC(C)(C)[C@H](O)C(=O)N(CC#N)CCC(=O)[O-]	ZINC001594797272	981886476	/nfs/dbraw/zinc/88/64/76/981886476.db2.gz	WOIIZDKSRBFIGP-SNVBAGLBSA-N	-1	0	256.302	0.610	20	30		CCEDRM
CC[C@@H](C)NC(=O)[C@@H](C)N(CC#N)CCC(=O)[O-]	ZINC001594988361	982834634	/nfs/dbraw/zinc/83/46/34/982834634.db2.gz	ZWDUFYRKCXGLHO-NXEZZACHSA-N	-1	0	255.318	0.590	20	30		CCEDRM
C[C@@H](C#N)CNC(=O)[C@H](CC(=O)[O-])NC(=O)OC(C)(C)C	ZINC001573590982	983066970	/nfs/dbraw/zinc/06/69/70/983066970.db2.gz	PRTUWUOJZMINJV-IUCAKERBSA-N	-1	0	299.327	0.630	20	30		CCEDRM
C#C[C@@](C)(CC)NC(=O)CN1CCC[C@H](C(=O)[O-])C1=O	ZINC001588366986	983295838	/nfs/dbraw/zinc/29/58/38/983295838.db2.gz	DHAPBTMZFVYFEU-HZMBPMFUSA-N	-1	0	280.324	0.228	20	30		CCEDRM
C#C[C@H](CO)NC(=O)Nc1ccc(CCC(=O)[O-])cc1	ZINC001588371125	983324955	/nfs/dbraw/zinc/32/49/55/983324955.db2.gz	WUDHLKAPFPWEQF-LLVKDONJSA-N	-1	0	276.292	0.819	20	30		CCEDRM
C#C[C@@H](NC(=O)Nc1c(C(=O)[O-])cnn1C)[C@H]1CCCO1	ZINC001588374086	983341036	/nfs/dbraw/zinc/34/10/36/983341036.db2.gz	OFZWYMJAXMLBRM-NXEZZACHSA-N	-1	0	292.295	0.421	20	30		CCEDRM
C#CC1(F)CN(C(=O)N[C@@H]2CCC[C@H]2CC(=O)[O-])C1	ZINC001588375526	983345079	/nfs/dbraw/zinc/34/50/79/983345079.db2.gz	AKHDSZSIJYIHDX-VHSXEESVSA-N	-1	0	268.288	0.997	20	30		CCEDRM
C#C[C@H](N[C@H](C(=O)[O-])C1(OC)CCC1)[C@@H]1CCCO1	ZINC001588377269	983356669	/nfs/dbraw/zinc/35/66/69/983356669.db2.gz	KHRHKGSGBGHCGM-SDDRHHMPSA-N	-1	0	267.325	0.779	20	30		CCEDRM
C#CC1(O)CCN(C(=O)[C@H]2CC[C@@H](CCC(=O)[O-])O2)CC1	ZINC001588379307	983363697	/nfs/dbraw/zinc/36/36/97/983363697.db2.gz	CPKYLUOLEFVEPM-NWDGAFQWSA-N	-1	0	295.335	0.386	20	30		CCEDRM
C#CC1(O)CN(C(=O)Nc2cccc(C(=O)[O-])c2OC)C1	ZINC001588379517	983364297	/nfs/dbraw/zinc/36/42/97/983364297.db2.gz	JUNVZDWQEQYFEI-UHFFFAOYSA-N	-1	0	290.275	0.605	20	30		CCEDRM
C#C[C@@H]1COCCN1C(=O)[C@H]1CCC[C@@H](C(=O)[O-])C1	ZINC001588384223	983388081	/nfs/dbraw/zinc/38/80/81/983388081.db2.gz	ZOQZWNJQVQCQPV-QJPTWQEYSA-N	-1	0	265.309	0.738	20	30		CCEDRM
C#CC[C@@H](COC)NS(=O)(=O)c1cncc(C(=O)[O-])c1	ZINC001588393920	983400952	/nfs/dbraw/zinc/40/09/52/983400952.db2.gz	GIGBPVCKJFHNTJ-JTQLQIEISA-N	-1	0	298.320	0.096	20	30		CCEDRM
C#CC[C@H](COC)NC(=O)N1C[C@@H]2CCC[C@]2(C(=O)[O-])C1	ZINC001588394360	983402890	/nfs/dbraw/zinc/40/28/90/983402890.db2.gz	LIZFTBSGSRAAKG-ZOWXZIJZSA-N	-1	0	294.351	0.921	20	30		CCEDRM
C#CC[C@H](COC)N1C(=O)[C@H]2C[C@H](C(=O)[O-])CCN2C1=O	ZINC001588395334	983405516	/nfs/dbraw/zinc/40/55/16/983405516.db2.gz	SKDAVTWKOBQJOC-GMTAPVOTSA-N	-1	0	294.307	0.152	20	30		CCEDRM
C#CC[C@@H](COC)NC(=O)CC[C@@H]1C[C@H](C(=O)[O-])CO1	ZINC001588396327	983407950	/nfs/dbraw/zinc/40/79/50/983407950.db2.gz	VUONZYSXBULIRX-SDDRHHMPSA-N	-1	0	283.324	0.411	20	30		CCEDRM
C#CC[C@@H](NC(=O)[C@@H]1CC(=O)N(C(C)(C)C)C1)C(=O)[O-]	ZINC001588398070	983410433	/nfs/dbraw/zinc/41/04/33/983410433.db2.gz	CBWWWHDGRHIJLT-NXEZZACHSA-N	-1	0	280.324	0.226	20	30		CCEDRM
C#CC[C@H](NC(=O)CCn1c(C)c(C)sc1=O)C(=O)[O-]	ZINC001588405393	983421234	/nfs/dbraw/zinc/42/12/34/983421234.db2.gz	NAIROUUTIVVSGS-JTQLQIEISA-N	-1	0	296.348	0.509	20	30		CCEDRM
C#CC[C@@H](NC(=O)Cc1ccc(O)c(F)c1)C(=O)[O-]	ZINC001588406799	983426425	/nfs/dbraw/zinc/42/64/25/983426425.db2.gz	ACRNCYPLXJWBHK-SNVBAGLBSA-N	-1	0	265.240	0.667	20	30		CCEDRM
C#CC[C@@H](NC(=O)Cc1ccccc1CO)C(=O)[O-]	ZINC001588408050	983430090	/nfs/dbraw/zinc/43/00/90/983430090.db2.gz	WASMZTHTWAFSPN-GFCCVEGCSA-N	-1	0	261.277	0.314	20	30		CCEDRM
C#CC[C@H](NC(=O)Cc1cccc2nsnc21)C(=O)[O-]	ZINC001588408116	983430677	/nfs/dbraw/zinc/43/06/77/983430677.db2.gz	YDHLTSGDGKBQCC-JTQLQIEISA-N	-1	0	289.316	0.827	20	30		CCEDRM
C#CC[C@H](NC(=O)c1c(C)[nH]c(C(=O)[O-])c1C)C(=O)OC	ZINC001588413726	983432090	/nfs/dbraw/zinc/43/20/90/983432090.db2.gz	GXMLTAMSQBEUEI-VIFPVBQESA-N	-1	0	292.291	0.624	20	30		CCEDRM
C#CC[C@H](NC(=O)c1c(C)coc1CC(=O)OC)C(=O)[O-]	ZINC001588413954	983432445	/nfs/dbraw/zinc/43/24/45/983432445.db2.gz	LBTBPVRPNZRILY-VIFPVBQESA-N	-1	0	293.275	0.510	20	30		CCEDRM
C#CC[C@@H](NC(=O)c1cc(C(=O)[O-])ccn1)C(=O)OC	ZINC001588414591	983434526	/nfs/dbraw/zinc/43/45/26/983434526.db2.gz	WQZRUBGNQHJZBE-SECBINFHSA-N	-1	0	276.248	0.075	20	30		CCEDRM
C#CC[C@H](NC(=O)c1cc(-c2ccn(C)c2)n[nH]1)C(=O)[O-]	ZINC001588414571	983434529	/nfs/dbraw/zinc/43/45/29/983434529.db2.gz	WDAXTKPDBWKNDO-JTQLQIEISA-N	-1	0	286.291	0.622	20	30		CCEDRM
C#CC[C@@H](NC(=O)c1cccc2[nH]c(=O)oc21)C(=O)[O-]	ZINC001588417088	983438251	/nfs/dbraw/zinc/43/82/51/983438251.db2.gz	XEJBYCJCZCLKTJ-SECBINFHSA-N	-1	0	274.232	0.740	20	30		CCEDRM
C#CC[C@@H](NC(=O)c1cccc(C(=O)NC)c1)C(=O)[O-]	ZINC001588417052	983438283	/nfs/dbraw/zinc/43/82/83/983438283.db2.gz	WAHWAGJAIOSZMV-LLVKDONJSA-N	-1	0	274.276	0.253	20	30		CCEDRM
C#CC[C@H](NC[C@@H]1[C@@H](C(=O)[O-])C1(F)F)C(=O)OC	ZINC001588422836	983449044	/nfs/dbraw/zinc/44/90/44/983449044.db2.gz	PWUAXEGPAUCGQQ-CSMHCCOUSA-N	-1	0	261.224	0.107	20	30		CCEDRM
C#CCC1(NS(=O)(=O)c2n[nH]cc2C(=O)[O-])CCC1	ZINC001588427989	983459354	/nfs/dbraw/zinc/45/93/54/983459354.db2.gz	VKUVFIGKANSHOT-UHFFFAOYSA-N	-1	0	283.309	0.332	20	30		CCEDRM
C#CCC1(O)CCN(C(=O)[C@H]2CC[C@@H](C(=O)[O-])C2)CC1	ZINC001588431129	983464550	/nfs/dbraw/zinc/46/45/50/983464550.db2.gz	HMHMYIWTEGAMOA-NWDGAFQWSA-N	-1	0	279.336	0.864	20	30		CCEDRM
C#CCC[C@H](O)CNC(=O)NCc1ncc(C(=O)[O-])s1	ZINC001588435054	983474276	/nfs/dbraw/zinc/47/42/76/983474276.db2.gz	ARVRDFVAMVSPIT-QMMMGPOBSA-N	-1	0	297.336	0.415	20	30		CCEDRM
C#CCC[C@@H](O)CNC(=O)N[C@H]1C[C@H]2C[C@H](C(=O)[O-])C[C@H]21	ZINC001588435037	983474337	/nfs/dbraw/zinc/47/43/37/983474337.db2.gz	AHMSLUWFQJKLSE-MLGHIDQZSA-N	-1	0	294.351	0.559	20	30		CCEDRM
C#CCC[C@@H](O)CNC(=O)N[C@H]1C[C@H]2C[C@@H](C(=O)[O-])C[C@H]21	ZINC001588435039	983474351	/nfs/dbraw/zinc/47/43/51/983474351.db2.gz	AHMSLUWFQJKLSE-VEGXAWMVSA-N	-1	0	294.351	0.559	20	30		CCEDRM
C#CCCCC(=O)NCCCNC(=O)[C@H]1C[C@@H]1C(=O)[O-]	ZINC001588435138	983474618	/nfs/dbraw/zinc/47/46/18/983474618.db2.gz	DMKCCFDVHVTSIT-QWRGUYRKSA-N	-1	0	280.324	0.133	20	30		CCEDRM
C#CCCOc1ccc(C(=O)NCC[C@H](O)C(=O)[O-])cc1	ZINC001588455465	983479814	/nfs/dbraw/zinc/47/98/14/983479814.db2.gz	NICFWNCIJSADSO-ZDUSSCGKSA-N	-1	0	291.303	0.654	20	30		CCEDRM
C#CCN(C)S(=O)(=O)c1ccc(CC(=O)[O-])c(F)c1	ZINC001588463933	983492992	/nfs/dbraw/zinc/49/29/92/983492992.db2.gz	QVTCYQTUEZVMHR-UHFFFAOYSA-N	-1	0	285.296	0.707	20	30		CCEDRM
C#CCNC(=O)CCNc1cccc(CC(=O)[O-])c1	ZINC001588483776	983521953	/nfs/dbraw/zinc/52/19/53/983521953.db2.gz	IQSJVIPCLJQHNK-UHFFFAOYSA-N	-1	0	260.293	0.865	20	30		CCEDRM
C#CCO[C@@H](C)C(=O)N1CC(F)(F)C[C@@H]1C(=O)[O-]	ZINC001588490253	983531781	/nfs/dbraw/zinc/53/17/81/983531781.db2.gz	JQVMVRWLMVUJPC-JGVFFNPUSA-N	-1	0	261.224	0.346	20	30		CCEDRM
C#CCOCCc1nc(-c2cc(C(=O)[O-])n(C)c2)no1	ZINC001588499282	983545383	/nfs/dbraw/zinc/54/53/83/983545383.db2.gz	VBJHRHZJFAKFPZ-UHFFFAOYSA-N	-1	0	275.264	0.966	20	30		CCEDRM
CCN([C@@H](C)C#N)S(=O)(=O)c1n[nH]c(C)c1C(=O)[O-]	ZINC001596179101	983549325	/nfs/dbraw/zinc/54/93/25/983549325.db2.gz	ZSXNEVXDPNDTIC-LURJTMIESA-N	-1	0	286.313	0.339	20	30		CCEDRM
C#Cc1ccc(C(=O)NC2(C(=O)[O-])CC(CO)C2)cc1	ZINC001588510876	983557779	/nfs/dbraw/zinc/55/77/79/983557779.db2.gz	NGDSSSLPNRKWOX-UHFFFAOYSA-N	-1	0	273.288	0.623	20	30		CCEDRM
C#Cc1ccc(C(=O)N2CC[C@](OC)(C(=O)[O-])C2)cn1	ZINC001588511158	983558823	/nfs/dbraw/zinc/55/88/23/983558823.db2.gz	SLMNYPADHKHZRG-CQSZACIVSA-N	-1	0	274.276	0.379	20	30		CCEDRM
C#Cc1ccc(C(=O)N[C@@H](C(=O)[O-])c2ccn(C)n2)nc1	ZINC001588511446	983559497	/nfs/dbraw/zinc/55/94/97/983559497.db2.gz	VCLZQAMVTHFKMZ-GFCCVEGCSA-N	-1	0	284.275	0.352	20	30		CCEDRM
C#Cc1cncc(C(=O)NCc2nc(C(=O)[O-])co2)c1	ZINC001588528790	983578291	/nfs/dbraw/zinc/57/82/91/983578291.db2.gz	HFDCQLOSLLWUFE-UHFFFAOYSA-N	-1	0	271.232	0.679	20	30		CCEDRM
C=C(C)C(C)(C)C(=O)Nc1n[nH]c(CC(=O)[O-])n1	ZINC001588529645	983582095	/nfs/dbraw/zinc/58/20/95/983582095.db2.gz	CULOJSAUAUIKNU-UHFFFAOYSA-N	-1	0	252.274	0.973	20	30		CCEDRM
C=C(C)[C@@H](CO)n1cc(CN2CCC[C@H]2C(=O)[O-])nn1	ZINC001588533841	983584282	/nfs/dbraw/zinc/58/42/82/983584282.db2.gz	APDCXYBNJXGPKE-NWDGAFQWSA-N	-1	0	280.328	0.437	20	30		CCEDRM
C=C(C)C[C@H](NC(=O)[C@@H]1CCCC(=O)N1C)C(=O)[O-]	ZINC001588537130	983598093	/nfs/dbraw/zinc/59/80/93/983598093.db2.gz	IVUUTCURTDKUOT-UWVGGRQHSA-N	-1	0	268.313	0.533	20	30		CCEDRM
C=C(C)C[C@H](NC(=O)[C@H]1CCN(C)C(=O)C1)C(=O)[O-]	ZINC001588540165	983603108	/nfs/dbraw/zinc/60/31/08/983603108.db2.gz	BGCYDAUJGDRISL-UWVGGRQHSA-N	-1	0	268.313	0.390	20	30		CCEDRM
C=C(C)C[C@@H](NC(=O)Cc1nnc(C)s1)C(=O)[O-]	ZINC001588543046	983610756	/nfs/dbraw/zinc/61/07/56/983610756.db2.gz	CIWAVSRKUQBDGY-MRVPVSSYSA-N	-1	0	269.326	0.925	20	30		CCEDRM
C=C(C)C[C@@H](NC(=O)[C@H]1C[C@@H](C(=O)OC)C1)C(=O)[O-]	ZINC001588543360	983611215	/nfs/dbraw/zinc/61/12/15/983611215.db2.gz	GXELYAUAZMYTFR-KXUCPTDWSA-N	-1	0	269.297	0.721	20	30		CCEDRM
C=C(C)C[C@@H](NC(=O)Cn1ccc(C(=O)OC)n1)C(=O)[O-]	ZINC001588543515	983611660	/nfs/dbraw/zinc/61/16/60/983611660.db2.gz	JBEHGSWPHMWFCM-SNVBAGLBSA-N	-1	0	295.295	0.205	20	30		CCEDRM
C=C(C)C[C@H](NC(C)=O)C(=O)N[C@H](C)/C=C/C(=O)[O-]	ZINC001588548943	983626020	/nfs/dbraw/zinc/62/60/20/983626020.db2.gz	ZJKDYDBXZGVDGN-WUIGSMQYSA-N	-1	0	268.313	0.603	20	30		CCEDRM
C=C(C)C[C@@H](NS(=O)(=O)CC(C)(C)C#N)C(=O)[O-]	ZINC001588553628	983628077	/nfs/dbraw/zinc/62/80/77/983628077.db2.gz	OZPUBDADJIBPNV-SECBINFHSA-N	-1	0	274.342	0.875	20	30		CCEDRM
C=C(C)C[C@@H]1NC(=O)N(OCCCC(=O)[O-])C1=O	ZINC001588554602	983631362	/nfs/dbraw/zinc/63/13/62/983631362.db2.gz	LFDFGCCBTDUWJY-QMMMGPOBSA-N	-1	0	256.258	0.669	20	30		CCEDRM
C=C(C)CS(=O)(=O)N1CC[C@H](OC)C[C@H]1C(=O)[O-]	ZINC001588577212	983655851	/nfs/dbraw/zinc/65/58/51/983655851.db2.gz	QTRAGSPJLSNKMA-UWVGGRQHSA-N	-1	0	277.342	0.456	20	30		CCEDRM
C=C(C)CN1CC(N(C)C(=O)[C@@H]2C[C@H]2C(=O)[O-])C1	ZINC001588585113	983662522	/nfs/dbraw/zinc/66/25/22/983662522.db2.gz	JQLVGUWFGYTZIA-GHMZBOCLSA-N	-1	0	252.314	0.426	20	30		CCEDRM
C=C(C)Cn1nnnc1N(CCC(=O)[O-])C[C@@H]1CCCO1	ZINC001588599225	983688502	/nfs/dbraw/zinc/68/85/02/983688502.db2.gz	JKQNBWMGGPHMEL-NSHDSACASA-N	-1	0	295.343	0.709	20	30		CCEDRM
C=C(CCC(=O)[O-])C(=O)N(C)[C@@H]1CCC(=O)N(C)C1	ZINC001588606623	983697667	/nfs/dbraw/zinc/69/76/67/983697667.db2.gz	BHWRHKHAHLBHKG-SNVBAGLBSA-N	-1	0	268.313	0.487	20	30		CCEDRM
C=C(CCC(=O)[O-])C(=O)N1CC[C@H](C)[C@@H](CO)C1	ZINC001588614674	983708174	/nfs/dbraw/zinc/70/81/74/983708174.db2.gz	ZKJHYYWJLVGWPL-GXSJLCMTSA-N	-1	0	255.314	0.884	20	30		CCEDRM
C=C(CCC(=O)[O-])C(=O)N1CCC[C@]1(COC)C(=O)OC	ZINC001588614725	983708668	/nfs/dbraw/zinc/70/86/68/983708668.db2.gz	AGOMOZQTRVYXNW-AWEZNQCLSA-N	-1	0	299.323	0.588	20	30		CCEDRM
C=C(CCC(=O)[O-])C(=O)N1CC[N@@H+](CC)C[C@H]1C	ZINC001588615013	983709484	/nfs/dbraw/zinc/70/94/84/983709484.db2.gz	HJZDNLATFIZUJK-LLVKDONJSA-N	-1	0	254.330	0.960	20	30		CCEDRM
C=C(CCC(=O)[O-])C(=O)N1CCCS(=O)(=O)C[C@H]1C	ZINC001588615424	983711799	/nfs/dbraw/zinc/71/17/99/983711799.db2.gz	UAOQQKVXENPQKV-SNVBAGLBSA-N	-1	0	289.353	0.443	20	30		CCEDRM
C=C(CCC(=O)[O-])C(=O)N[C@@H](C)CC[S@@](C)=O	ZINC001588618963	983714168	/nfs/dbraw/zinc/71/41/68/983714168.db2.gz	GRJJHUOKJYZXHV-HUTHGQBESA-N	-1	0	261.343	0.681	20	30		CCEDRM
C=C(CCC(=O)[O-])C(=O)N[C@H](C)CC(=O)OCC	ZINC001588618994	983714204	/nfs/dbraw/zinc/71/42/04/983714204.db2.gz	HMHSPOFTDINZNE-SECBINFHSA-N	-1	0	257.286	0.865	20	30		CCEDRM
C=C(CCC(=O)[O-])C(=O)N[C@@H]1C[C@@H](OCC)[C@H]1OC	ZINC001588621826	983720929	/nfs/dbraw/zinc/72/09/29/983720929.db2.gz	KPMPGIZXHUHJOZ-FOGDFJRCSA-N	-1	0	271.313	0.716	20	30		CCEDRM
C=C(CCC(=O)[O-])C(=O)NCCSCCC(=O)OC	ZINC001588624414	983732074	/nfs/dbraw/zinc/73/20/74/983732074.db2.gz	HZRQJMLCKKDYEZ-UHFFFAOYSA-N	-1	0	289.353	0.820	20	30		CCEDRM
C=C(CCC(=O)[O-])C(=O)NCc1cn(CC)nn1	ZINC001588630104	983741361	/nfs/dbraw/zinc/74/13/61/983741361.db2.gz	QUIURBVVQKXHQS-UHFFFAOYSA-N	-1	0	252.274	0.335	20	30		CCEDRM
C=C(CCC(=O)[O-])C(=O)Nc1c(C)[nH]c(=O)[nH]c1=O	ZINC001588630251	983742137	/nfs/dbraw/zinc/74/21/37/983742137.db2.gz	GWPNXGFUMHPGMF-UHFFFAOYSA-N	-1	0	267.241	0.556	20	30		CCEDRM
C=C(CCC(=O)[O-])C(=O)NCc1ccc(=O)[nH]c1	ZINC001588630280	983742892	/nfs/dbraw/zinc/74/28/92/983742892.db2.gz	WHETVLBDKWLAJX-UHFFFAOYSA-N	-1	0	250.254	0.824	20	30		CCEDRM
C=C(CCC(=O)[O-])C(=O)Nc1c(C(N)=O)n[nH]c1C(C)C	ZINC001588630493	983744525	/nfs/dbraw/zinc/74/45/25/983744525.db2.gz	NSPLKTQUTDORAF-UHFFFAOYSA-N	-1	0	294.311	0.992	20	30		CCEDRM
C=C(CCC(=O)[O-])C(=O)Nc1nnn(C(C)C)n1	ZINC001588633783	983750840	/nfs/dbraw/zinc/75/08/40/983750840.db2.gz	RPMWZXXROLRDAW-UHFFFAOYSA-N	-1	0	253.262	0.614	20	30		CCEDRM
C=C(CCC(=O)OC)C(=O)N[C@H](CC(=O)[O-])C1CC1	ZINC001588633982	983751751	/nfs/dbraw/zinc/75/17/51/983751751.db2.gz	UVLGDZVLIUWQON-SNVBAGLBSA-N	-1	0	269.297	0.865	20	30		CCEDRM
C=C[C@H](C(=O)[O-])n1cc(Cn2ccnc2CC)nn1	ZINC001588671476	983820393	/nfs/dbraw/zinc/82/03/93/983820393.db2.gz	AXFFHZOPVYEDHO-SNVBAGLBSA-N	-1	0	261.285	0.897	20	30		CCEDRM
C=C[C@@H](C(=O)OC)N1CCC[C@@H](n2cc(C(=O)[O-])nn2)C1	ZINC001588671792	983822850	/nfs/dbraw/zinc/82/28/50/983822850.db2.gz	IPGNPCDYJFOFSW-KOLCDFICSA-N	-1	0	294.311	0.341	20	30		CCEDRM
C=C[C@@](C)(O)C(=O)N(CCCOCC)C[C@@H](C)C(=O)[O-]	ZINC001588682272	983842933	/nfs/dbraw/zinc/84/29/33/983842933.db2.gz	KWUKNTGPMHPYPV-BXUZGUMPSA-N	-1	0	287.356	0.899	20	30		CCEDRM
C=C[C@@](C)(CCOC)C(=O)NC[C@@H](O)CC(=O)[O-]	ZINC001588682300	983843203	/nfs/dbraw/zinc/84/32/03/983843203.db2.gz	LEMCTFHMGSCUIT-CABZTGNLSA-N	-1	0	259.302	0.167	20	30		CCEDRM
C=C[C@](C)(O)CC(=O)N1CC[C@H](C(=O)OC)C[C@H]1C(=O)[O-]	ZINC001588684524	983860860	/nfs/dbraw/zinc/86/08/60/983860860.db2.gz	SJPOJPWTPFRNMU-BHDSKKPTSA-N	-1	0	299.323	0.178	20	30		CCEDRM
C=C[C@H](C)ON1C(=O)[C@@H]2C[C@@H](C(=O)[O-])CCN2C1=O	ZINC001588687414	983870315	/nfs/dbraw/zinc/87/03/15/983870315.db2.gz	OITUIMVPBUKKGM-CIUDSAMLSA-N	-1	0	268.269	0.620	20	30		CCEDRM
C=C[C@H](COC)NC(=O)N1CCC[C@H]1CC(=O)[O-]	ZINC001588692426	983882028	/nfs/dbraw/zinc/88/20/28/983882028.db2.gz	BNAPDHMNCFOIKM-ZJUUUORDSA-N	-1	0	256.302	0.836	20	30		CCEDRM
C=C[C@@H](Nc1ccc(N2CCNC(=O)C2)nc1)C(=O)[O-]	ZINC001588702147	983918642	/nfs/dbraw/zinc/91/86/42/983918642.db2.gz	KMMNMIRKRVBURZ-SNVBAGLBSA-N	-1	0	276.296	0.069	20	30		CCEDRM
C=C[C@@H](O)C(=O)NCCOc1ccc(C(=O)[O-])cc1	ZINC001588704083	983923188	/nfs/dbraw/zinc/92/31/88/983923188.db2.gz	BTDCDAIREWQABM-LLVKDONJSA-N	-1	0	265.265	0.427	20	30		CCEDRM
C=C[C@@H](O)C(=O)OCC(=O)c1[nH]c(C)c(C(=O)[O-])c1C	ZINC001588705325	983926426	/nfs/dbraw/zinc/92/64/26/983926426.db2.gz	LOHVECOPSJSDNH-MRVPVSSYSA-N	-1	0	281.264	0.603	20	30		CCEDRM
C=C[C@H](OC(=O)c1cn(C)nc1-c1cnn(C)c1)C(=O)[O-]	ZINC001588713127	983947703	/nfs/dbraw/zinc/94/77/03/983947703.db2.gz	QRHQAMFSLKQGMU-JTQLQIEISA-N	-1	0	290.279	0.617	20	30		CCEDRM
C=CC[C@H](C(=O)[O-])N1CCO[C@@H]([C@H]2CCCO2)C1	ZINC001588730974	984002932	/nfs/dbraw/zinc/00/29/32/984002932.db2.gz	AIWAFMJRRBEKDS-IJLUTSLNSA-N	-1	0	255.314	0.896	20	30		CCEDRM
C=CC[C@H](C(=O)[O-])N1CCO[C@@H](CC(=O)OC)C1	ZINC001588731274	984007319	/nfs/dbraw/zinc/00/73/19/984007319.db2.gz	HDGUQZVESPACKA-VHSXEESVSA-N	-1	0	257.286	0.280	20	30		CCEDRM
C=CC[C@@H](C(=O)OC)N1CC[C@H](n2cc(C(=O)[O-])nn2)C1	ZINC001588731702	984010965	/nfs/dbraw/zinc/01/09/65/984010965.db2.gz	NILJIBWRAMUNQD-ONGXEEELSA-N	-1	0	294.311	0.341	20	30		CCEDRM
C=CC[C@@H](CO)NC(=O)Nc1cc(C(=O)[O-])nn1C	ZINC001588743620	984038956	/nfs/dbraw/zinc/03/89/56/984038956.db2.gz	AQCHGNCABOBLBD-ZETCQYMHSA-N	-1	0	268.273	0.177	20	30		CCEDRM
C=CC[C@@H](CO)Nc1cc(C)nc2nc(C(=O)[O-])nn21	ZINC001588744882	984046851	/nfs/dbraw/zinc/04/68/51/984046851.db2.gz	RYCRBMDFQZBYNX-QMMMGPOBSA-N	-1	0	277.284	0.480	20	30		CCEDRM
C=CC[C@H](N[C@H](C[C@H]1CCCO1)C(=O)[O-])C(=O)OC	ZINC001588745763	984055192	/nfs/dbraw/zinc/05/51/92/984055192.db2.gz	MVEZCKPLPVGSIK-OUAUKWLOSA-N	-1	0	271.313	0.716	20	30		CCEDRM
C=CC[C@@H](OC(=O)[C@H]1CCNC(=O)CC1)C(=O)[O-]	ZINC001588753154	984083051	/nfs/dbraw/zinc/08/30/51/984083051.db2.gz	BATXNIUMVBGIIQ-RKDXNWHRSA-N	-1	0	255.270	0.475	20	30		CCEDRM
C=CC[C@H](OC(=O)c1nc2nccc(C)n2n1)C(=O)[O-]	ZINC001588758647	984106728	/nfs/dbraw/zinc/10/67/28/984106728.db2.gz	HOMSMPQQOLBEKD-QMMMGPOBSA-N	-1	0	276.252	0.619	20	30		CCEDRM
C=CC[C@@H](Sc1nnc(-c2cc(C)[nH]n2)n1N)C(=O)[O-]	ZINC001588759319	984110581	/nfs/dbraw/zinc/11/05/81/984110581.db2.gz	RRRLSZZXEDZWGG-MRVPVSSYSA-N	-1	0	294.340	0.812	20	30		CCEDRM
C=CCC1(C(=O)N2C[C@@H](O)C[C@H](C(=O)[O-])C2)CCOCC1	ZINC001588762665	984116728	/nfs/dbraw/zinc/11/67/28/984116728.db2.gz	LGTYIZZRAITWAY-RYUDHWBXSA-N	-1	0	297.351	0.653	20	30		CCEDRM
C=CCC1(NS(=O)(=O)C[C@@H](C)C(=O)[O-])CCOCC1	ZINC001588769171	984132933	/nfs/dbraw/zinc/13/29/33/984132933.db2.gz	OJAYLQSDOXIIOZ-SNVBAGLBSA-N	-1	0	291.369	0.752	20	30		CCEDRM
C=CCC[C@H](CO)NC(=O)c1ccc(C(=O)[O-])cn1	ZINC001588777810	984157878	/nfs/dbraw/zinc/15/78/78/984157878.db2.gz	LWCOBPNFEFWPCW-SNVBAGLBSA-N	-1	0	264.281	0.837	20	30		CCEDRM
C=CCCC[C@@H](NC(=O)[C@@H](O)CC(=O)OCC)C(=O)[O-]	ZINC001588784956	984179199	/nfs/dbraw/zinc/17/91/99/984179199.db2.gz	DOHAPFROHFMRRZ-ZJUUUORDSA-N	-1	0	287.312	0.226	20	30		CCEDRM
C=CCCC[C@H](NC(=O)C1(C(=O)OC)CC1)C(=O)[O-]	ZINC001588787046	984185453	/nfs/dbraw/zinc/18/54/53/984185453.db2.gz	SVNMQDLMCWQRGR-VIFPVBQESA-N	-1	0	269.297	0.865	20	30		CCEDRM
C=CCCC[C@@H](NC(=O)[C@H]1CSC(=O)N1)C(=O)[O-]	ZINC001588789628	984199934	/nfs/dbraw/zinc/19/99/34/984199934.db2.gz	GSKLVERSKHEPTL-HTQZYQBOSA-N	-1	0	272.326	0.737	20	30		CCEDRM
C=CCCC[C@H](NC(=O)C[C@H](C)NC(N)=O)C(=O)[O-]	ZINC001588790260	984205087	/nfs/dbraw/zinc/20/50/87/984205087.db2.gz	UIGJXPNSKDRYSM-IUCAKERBSA-N	-1	0	271.317	0.359	20	30		CCEDRM
C=CCCC[C@H](NC(=O)c1cc(=O)[nH]cn1)C(=O)[O-]	ZINC001588792724	984212225	/nfs/dbraw/zinc/21/22/25/984212225.db2.gz	MRSWCZRNZUXQCD-QMMMGPOBSA-N	-1	0	265.269	0.722	20	30		CCEDRM
C=CCCC[C@H](NC(=O)c1ccc2n[nH]nc2n1)C(=O)[O-]	ZINC001588793066	984215801	/nfs/dbraw/zinc/21/58/01/984215801.db2.gz	KXIGBVQFSMWYLV-JTQLQIEISA-N	-1	0	289.295	0.892	20	30		CCEDRM
C=CCCC[C@H](NC(=O)c1c([N+](=O)[O-])cnn1C)C(=O)[O-]	ZINC001588794173	984225161	/nfs/dbraw/zinc/22/51/61/984225161.db2.gz	NIFFNCVSQZRRPP-QMMMGPOBSA-N	-1	0	296.283	0.868	20	30		CCEDRM
C=CCCC[C@H](NC(=O)c1ns[nH]c1=O)C(=O)[O-]	ZINC001588797542	984230730	/nfs/dbraw/zinc/23/07/30/984230730.db2.gz	IBKLDMDMRMADFG-LURJTMIESA-N	-1	0	271.298	0.783	20	30		CCEDRM
C=CCCCNC(=O)C(=O)N1CC[C@@H](C(=O)[O-])[C@@H]1C	ZINC001588801529	984246093	/nfs/dbraw/zinc/24/60/93/984246093.db2.gz	NFCSXFJYUINDSR-VHSXEESVSA-N	-1	0	268.313	0.390	20	30		CCEDRM
C=CCCCCn1nnnc1N1C[C@@H](C)O[C@H](C(=O)[O-])C1	ZINC001588802715	984250754	/nfs/dbraw/zinc/25/07/54/984250754.db2.gz	UZXHUHCMWRROML-MNOVXSKESA-N	-1	0	295.343	0.708	20	30		CCEDRM
C=CCCO[C@H](C)C(=O)N[C@@]1(C(=O)[O-])C[C@@H](O)C1	ZINC001588808984	984264825	/nfs/dbraw/zinc/26/48/25/984264825.db2.gz	UKSTUIRYTRKHCG-LNLATYFQSA-N	-1	0	257.286	0.062	20	30		CCEDRM
C=CCCS(=O)(=O)N1CCSC[C@H](C(=O)[O-])C1	ZINC001588813329	984269187	/nfs/dbraw/zinc/26/91/87/984269187.db2.gz	MTRLBNKVLQFFBM-SECBINFHSA-N	-1	0	279.383	0.642	20	30		CCEDRM
C=CCNC(=O)[C@@H](C)OC(=O)[C@H]1CC[C@@H](CCC(=O)[O-])O1	ZINC001588838755	984340725	/nfs/dbraw/zinc/34/07/25/984340725.db2.gz	IQSPZRGBXUCLCF-OUAUKWLOSA-N	-1	0	299.323	0.633	20	30		CCEDRM
C=CCNC(=O)N[C@H]1CCOC2(CC(C(=O)[O-])C2)C1	ZINC001588843633	984352808	/nfs/dbraw/zinc/35/28/08/984352808.db2.gz	CAVZVYALXLDNDC-QUNCOHTASA-N	-1	0	268.313	0.884	20	30		CCEDRM
C=CCNC(=O)COC(=O)C12CC(C(=O)[O-])(C1)C2	ZINC001588844162	984355708	/nfs/dbraw/zinc/35/57/08/984355708.db2.gz	DEFDHJGAVNDIAE-UHFFFAOYSA-N	-1	0	253.254	0.087	20	30		CCEDRM
C=CCNC(=O)COC(=O)c1cccc(CC(=O)[O-])c1	ZINC001588844267	984356404	/nfs/dbraw/zinc/35/64/04/984356404.db2.gz	GJWQVWFSTRRGMM-UHFFFAOYSA-N	-1	0	277.276	0.773	20	30		CCEDRM
C=CCNC(=O)CNC(=O)Nc1cccc(CC(=O)[O-])n1	ZINC001588844543	984358791	/nfs/dbraw/zinc/35/87/91/984358791.db2.gz	LWTNRCXRSMJRDO-UHFFFAOYSA-N	-1	0	292.295	0.132	20	30		CCEDRM
C=CCOCC(=O)OCC(=O)Nc1cccc(C(=O)[O-])n1	ZINC001588850755	984380045	/nfs/dbraw/zinc/38/00/45/984380045.db2.gz	CVRLCXMFWGGBNW-UHFFFAOYSA-N	-1	0	294.263	0.464	20	30		CCEDRM
C=CCOC[C@@H](NC(=O)[C@@H](C)C(F)(F)F)C(=O)[O-]	ZINC001588850958	984381620	/nfs/dbraw/zinc/38/16/20/984381620.db2.gz	LXKGDAWDPRDNOC-RNFRBKRXSA-N	-1	0	269.219	0.957	20	30		CCEDRM
C=CCOC[C@H](NC(=O)[C@H](C)C(F)(F)F)C(=O)[O-]	ZINC001588850956	984381843	/nfs/dbraw/zinc/38/18/43/984381843.db2.gz	LXKGDAWDPRDNOC-BQBZGAKWSA-N	-1	0	269.219	0.957	20	30		CCEDRM
C=CCOCC(=O)NC[C@@H](C(=O)[O-])[C@H]1CCOC1	ZINC001588851140	984382847	/nfs/dbraw/zinc/38/28/47/984382847.db2.gz	WHDHPMMNWUWUGM-VHSXEESVSA-N	-1	0	257.286	0.043	20	30		CCEDRM
C=CCOC[C@@H](NC(=O)CC1(C#N)CCOCC1)C(=O)[O-]	ZINC001588853906	984387193	/nfs/dbraw/zinc/38/71/93/984387193.db2.gz	LBXZXJUWDPAOON-LLVKDONJSA-N	-1	0	296.323	0.469	20	30		CCEDRM
C=CCOC[C@H](NC(=O)CCc1cc(C)n[nH]1)C(=O)[O-]	ZINC001588854279	984389580	/nfs/dbraw/zinc/38/95/80/984389580.db2.gz	UJWRWAVBZNAGPS-NSHDSACASA-N	-1	0	281.312	0.423	20	30		CCEDRM
C=CCOC[C@@H](NC(=O)C12CC(C(=O)OC)(C1)C2)C(=O)[O-]	ZINC001588856169	984397943	/nfs/dbraw/zinc/39/79/43/984397943.db2.gz	VUVPAGNAKBOBQZ-BZFQTPOWSA-N	-1	0	297.307	0.102	20	30		CCEDRM
C=CCOC[C@@H](NC(=O)c1cn(C)nc1Cl)C(=O)[O-]	ZINC001588860375	984412650	/nfs/dbraw/zinc/41/26/50/984412650.db2.gz	SJIDWZGUWCDITE-MRVPVSSYSA-N	-1	0	287.703	0.459	20	30		CCEDRM
C=CCOC[C@H](NCc1ccoc1C(=O)OC)C(=O)[O-]	ZINC001588866062	984422511	/nfs/dbraw/zinc/42/25/11/984422511.db2.gz	INDLWNMJZCMOBV-JTQLQIEISA-N	-1	0	283.280	0.812	20	30		CCEDRM
C=CCn1cnnc1SCCc1cn(CC(=O)[O-])nn1	ZINC001588912936	984554012	/nfs/dbraw/zinc/55/40/12/984554012.db2.gz	TVKRSYDKWYEDPP-UHFFFAOYSA-N	-1	0	294.340	0.475	20	30		CCEDRM
C=C[C@@H]1OCCC[C@H]1NC(=O)N1CC[C@](OC)(C(=O)[O-])C1	ZINC001588913505	984555742	/nfs/dbraw/zinc/55/57/42/984555742.db2.gz	FSMUCOOIZHQROY-UHIISALHSA-N	-1	0	298.339	0.605	20	30		CCEDRM
CC#CCCCC(=O)N1C[C@@H](C)O[C@H](C(=O)[O-])C1	ZINC001588925636	984588283	/nfs/dbraw/zinc/58/82/83/984588283.db2.gz	UDZOGMARXIBBDW-MNOVXSKESA-N	-1	0	253.298	0.881	20	30		CCEDRM
CC#CCCNC(=O)N1CC[C@]2(CC(C(=O)[O-])=NO2)C1	ZINC001588927436	984599220	/nfs/dbraw/zinc/59/92/20/984599220.db2.gz	YAFFFUREOUYSCK-ZDUSSCGKSA-N	-1	0	279.296	0.415	20	30		CCEDRM
CC#CCN1CCCN(C(=O)[C@@H]2C[C@@H]2C(=O)[O-])CC1	ZINC001588930963	984600779	/nfs/dbraw/zinc/60/07/79/984600779.db2.gz	GUAPQZVJXFZPOE-NEPJUHHUSA-N	-1	0	264.325	0.265	20	30		CCEDRM
CC#CCNCc1cn(CC2(CC(=O)[O-])CC2)nn1	ZINC001588932461	984608822	/nfs/dbraw/zinc/60/88/22/984608822.db2.gz	WDTZVUWKQHNHAM-UHFFFAOYSA-N	-1	0	262.313	0.646	20	30		CCEDRM
CC#CCNCc1cn(Cc2ccoc2C(=O)[O-])nn1	ZINC001588932579	984609424	/nfs/dbraw/zinc/60/94/24/984609424.db2.gz	YYZDIUMENWQZBP-UHFFFAOYSA-N	-1	0	274.280	0.731	20	30		CCEDRM
CC(=NN[C@H]1CCOC1(C)C)c1cn(CC(=O)[O-])nn1	ZINC001589016772	984997833	/nfs/dbraw/zinc/99/78/33/984997833.db2.gz	HQFXFGQQIQMOCF-JTQLQIEISA-N	-1	0	281.316	0.244	20	30		CCEDRM
CCOC[C@@H](C(=O)[O-])N(C)C(=O)CC(C)(C)C#N	ZINC001596872003	985695473	/nfs/dbraw/zinc/69/54/73/985695473.db2.gz	BZUCKOMFSHTHPV-VIFPVBQESA-N	-1	0	256.302	0.874	20	30		CCEDRM
CCOC[C@@H](C(=O)[O-])N(C)CC(=O)N[C@@](C)(C#N)C(C)C	ZINC001596877485	985735337	/nfs/dbraw/zinc/73/53/37/985735337.db2.gz	OGKRJUVTVXZOCV-FZMZJTMJSA-N	-1	0	299.371	0.462	20	30		CCEDRM
Cc1c(C#N)c(NC(=O)Cn2cc(C(=O)[O-])cn2)nn1C	ZINC001599973359	986046222	/nfs/dbraw/zinc/04/62/22/986046222.db2.gz	PEEJXKKVOXDNIF-UHFFFAOYSA-N	-1	0	288.267	0.134	20	30		CCEDRM
Cc1c(C(=O)N2CC[C@](F)(C(=O)[O-])C2)cnn1CCC#N	ZINC001599976281	986096342	/nfs/dbraw/zinc/09/63/42/986096342.db2.gz	XBWRVNQRJNFCBC-CYBMUJFWSA-N	-1	0	294.286	0.744	20	30		CCEDRM
Cc1c(C(=O)N[C@@H](C)/C=C/C(=O)[O-])cnn1CCC#N	ZINC001599979002	986135753	/nfs/dbraw/zinc/13/57/53/986135753.db2.gz	PZADOVMIHSKRLA-MOVJSRMASA-N	-1	0	276.296	0.864	20	30		CCEDRM
C[C@@H](C#N)C(=O)N[C@@H](CCC(=O)[O-])C(=O)OC(C)(C)C	ZINC001589329787	986166944	/nfs/dbraw/zinc/16/69/44/986166944.db2.gz	SKNABLIKSNWZAA-IUCAKERBSA-N	-1	0	284.312	0.837	20	30		CCEDRM
C[C@@H](C#N)N(C)S(=O)(=O)c1ccc(CC(=O)[O-])cc1	ZINC001589331594	986188970	/nfs/dbraw/zinc/18/89/70/986188970.db2.gz	IWYGADNNXRHUIN-VIFPVBQESA-N	-1	0	282.321	0.846	20	30		CCEDRM
C[C@@H]1CN=C(NN=Cc2cc(C(=O)[O-])ccc2O)N1	ZINC001594585288	986476149	/nfs/dbraw/zinc/47/61/49/986476149.db2.gz	XWSJHLJKWQOLDZ-SSDOTTSWSA-N	-1	0	262.269	0.362	20	30		CCEDRM
C[C@@H](C(=O)N[C@H](CC1CC1)C(=O)[O-])n1cnc(C#N)n1	ZINC001589385949	986482412	/nfs/dbraw/zinc/48/24/12/986482412.db2.gz	QBCPSGRPUZLGQO-IONNQARKSA-N	-1	0	277.284	0.080	20	30		CCEDRM
C[C@H](C(=O)NCC(=O)[O-])N(C)Cc1ccc(C#N)cc1	ZINC001589398028	986546007	/nfs/dbraw/zinc/54/60/07/986546007.db2.gz	ZHYBUPQEKNHJPF-SNVBAGLBSA-N	-1	0	275.308	0.579	20	30		CCEDRM
C[C@@H](C(=O)NCc1ccccc1)N(CC#N)CCC(=O)[O-]	ZINC001589416173	986650813	/nfs/dbraw/zinc/65/08/13/986650813.db2.gz	SAYFLKFMYDVIJK-LBPRGKRZSA-N	-1	0	289.335	0.992	20	30		CCEDRM
CC[C@@H](C#N)N(C)C(=O)Cn1cc(C(=O)[O-])cn1	ZINC001594722615	987214957	/nfs/dbraw/zinc/21/49/57/987214957.db2.gz	RBEKQRDYJAZRIL-VIFPVBQESA-N	-1	0	250.258	0.342	20	30		CCEDRM
CC(C)(C#N)CC(=O)O[C@H]1CCCN(CCC(=O)[O-])C1=O	ZINC001589553714	987293425	/nfs/dbraw/zinc/29/34/25/987293425.db2.gz	HZRMLJJOFBVBJP-JTQLQIEISA-N	-1	0	296.323	0.935	20	30		CCEDRM
CC(C)(C(=O)[O-])C(=O)COC(=O)CSCC#N	ZINC001589582994	987368210	/nfs/dbraw/zinc/36/82/10/987368210.db2.gz	BKXUNPTVNYCZPY-UHFFFAOYSA-N	-1	0	259.283	0.466	20	30		CCEDRM
CC(C)(C)C(=O)NCCCC(=O)N(CC#N)CCC(=O)[O-]	ZINC001589692880	987761774	/nfs/dbraw/zinc/76/17/74/987761774.db2.gz	NEMRIGHXRZVLQD-UHFFFAOYSA-N	-1	0	297.355	0.756	20	30		CCEDRM
CSCC[C@@H](OC(=O)CSCC#N)C(=O)[O-]	ZINC001599798505	988137305	/nfs/dbraw/zinc/13/73/05/988137305.db2.gz	QZCCUCJGEWAJEL-SSDOTTSWSA-N	-1	0	263.340	0.993	20	30		CCEDRM
C[C@@H](CF)NS(=O)(=O)c1ccc(C#N)cc1C(=O)[O-]	ZINC001599835942	988742095	/nfs/dbraw/zinc/74/20/95/988742095.db2.gz	VBWUSWQGXOWUGP-ZETCQYMHSA-N	-1	0	286.284	0.893	20	30		CCEDRM
CCc1oc(C(=O)[O-])cc1S(=O)(=O)N(C)CC#N	ZINC001597773308	989246240	/nfs/dbraw/zinc/24/62/40/989246240.db2.gz	WENFYAWZGJSFEQ-UHFFFAOYSA-N	-1	0	272.282	0.684	20	30		CCEDRM
CC(C)(C)OC(=O)N[C@H](CCC(=O)[O-])C(=O)OCC#N	ZINC001590124085	989345145	/nfs/dbraw/zinc/34/51/45/989345145.db2.gz	FBIQFZJEIQJCEV-MRVPVSSYSA-N	-1	0	286.284	0.811	20	30		CCEDRM
CC(C)(C)OC(=O)NCCCN(CC#N)CC(=O)[O-]	ZINC001590195377	989556051	/nfs/dbraw/zinc/55/60/51/989556051.db2.gz	WCOLIENXHJGKOH-UHFFFAOYSA-N	-1	0	271.317	0.811	20	30		CCEDRM
CN(C(=O)Cn1cc(C(=O)[O-])cn1)C1(C#N)CCC1	ZINC001598041408	990274589	/nfs/dbraw/zinc/27/45/89/990274589.db2.gz	PAFSNHMZIRNZAX-UHFFFAOYSA-N	-1	0	262.269	0.486	20	30		CCEDRM
CC(C)(CC(=O)[O-])CC(=O)N1CCN(CC#N)CC1	ZINC001590627646	990316537	/nfs/dbraw/zinc/31/65/37/990316537.db2.gz	FGGMKDLLOPVGNH-UHFFFAOYSA-N	-1	0	267.329	0.545	20	30		CCEDRM
CC(C)C#CC(=O)NC/C=C/CNC(=O)[C@@H]1C[C@H]1C(=O)[O-]	ZINC001590927919	990937702	/nfs/dbraw/zinc/93/77/02/990937702.db2.gz	NXXOCFKBIPRMIQ-BLDJZWNYSA-N	-1	0	292.335	0.155	20	30		CCEDRM
CC(C)C1(C(=O)N2CCC(C#N)(C(=O)[O-])CC2)COC1	ZINC001591058322	991472824	/nfs/dbraw/zinc/47/28/24/991472824.db2.gz	NJFAKNUDAKZGGK-UHFFFAOYSA-N	-1	0	280.324	0.876	20	30		CCEDRM
CN([C@H]1CCC[C@H]1C#N)S(=O)(=O)c1cc(C(=O)[O-])[nH]n1	ZINC001598370456	991532105	/nfs/dbraw/zinc/53/21/05/991532105.db2.gz	PISGXMJNDXXVBA-CBAPKCEASA-N	-1	0	298.324	0.421	20	30		CCEDRM
CN(CC#N)S(=O)(=O)c1ccc(CC(=O)[O-])c(F)c1	ZINC001598375720	991560536	/nfs/dbraw/zinc/56/05/36/991560536.db2.gz	GBAWLJXQXJWSNE-UHFFFAOYSA-N	-1	0	286.284	0.597	20	30		CCEDRM
CN(CCC#N)C(=O)CC[C@@H]1C[C@H](C(=O)[O-])CO1	ZINC001598469093	991996851	/nfs/dbraw/zinc/99/68/51/991996851.db2.gz	WYYAJJJIVCKOTO-VHSXEESVSA-N	-1	0	254.286	0.628	20	30		CCEDRM
CNC(=S)NN=Cc1cc(C(=O)[O-])c2n1CCCC2	ZINC001598662110	994613584	/nfs/dbraw/zinc/61/35/84/994613584.db2.gz	SNMOAIDQPFWLHY-UHFFFAOYSA-N	-1	0	280.353	0.950	20	30		CCEDRM
C[C@@H](NN=Cc1cn(CC(=O)[O-])nn1)C(F)(F)F	ZINC001593318163	994828857	/nfs/dbraw/zinc/82/88/57/994828857.db2.gz	BKWBFGIWBDZTTB-RXMQYKEDSA-N	-1	0	265.195	0.237	20	30		CCEDRM
COC(=O)[C@@H]1CC[C@H](C(=O)[O-])CN1C(=O)CCCC#N	ZINC001598763923	995808234	/nfs/dbraw/zinc/80/82/34/995808234.db2.gz	WTXGQHNRZSRANC-UWVGGRQHSA-N	-1	0	282.296	0.545	20	30		CCEDRM
COC(=O)[C@H]1CC[C@@H](C(=O)[O-])CN1Cc1ccc(C#N)o1	ZINC001598779071	995963610	/nfs/dbraw/zinc/96/36/10/995963610.db2.gz	QFNDSFLOKZGOCR-BXKDBHETSA-N	-1	0	292.291	0.989	20	30		CCEDRM
COC(=O)[C@H]1CN(c2cnccc2C#N)C[C@H]1C(=O)[O-]	ZINC001598826926	996393040	/nfs/dbraw/zinc/39/30/40/996393040.db2.gz	KNIZXADUHSECGK-ZJUUUORDSA-N	-1	0	275.264	0.263	20	30		CCEDRM
COC(=O)CCN(CC#N)C(=O)c1ccc(C(=O)[O-])cc1	ZINC001598855864	996638186	/nfs/dbraw/zinc/63/81/86/996638186.db2.gz	ZPDYABFHANRTEI-UHFFFAOYSA-N	-1	0	290.275	0.914	20	30		CCEDRM
COC(=O)CN(C)[C@H](C(=O)[O-])c1ccc(C#N)cc1	ZINC001598859489	996662690	/nfs/dbraw/zinc/66/26/90/996662690.db2.gz	BKPXJEZGROBFJB-LBPRGKRZSA-N	-1	0	262.265	0.789	20	30		CCEDRM
COC(=O)Cc1ccccc1CN(CC#N)CC(=O)[O-]	ZINC001598873714	996750819	/nfs/dbraw/zinc/75/08/19/996750819.db2.gz	VIPWFKWMJJJPFY-UHFFFAOYSA-N	-1	0	276.292	0.812	20	30		CCEDRM
CO[C@@]1(C(=O)[O-])CCN(C(=O)c2ccnc(C#N)c2)C1	ZINC001599075666	996857789	/nfs/dbraw/zinc/85/77/89/996857789.db2.gz	MZBUVUWXUCYWPE-ZDUSSCGKSA-N	-1	0	275.264	0.269	20	30		CCEDRM
CO[C@@H](C)CNC(=O)N1CCC(C#N)(C(=O)[O-])CC1	ZINC001599320075	997565348	/nfs/dbraw/zinc/56/53/48/997565348.db2.gz	QXTMGBUFTNLFJJ-VIFPVBQESA-N	-1	0	269.301	0.421	20	30		CCEDRM
CON=CC(=O)N1Cc2cc(O)ccc2C[C@H]1C(=O)[O-]	ZINC001599320901	997579548	/nfs/dbraw/zinc/57/95/48/997579548.db2.gz	VITSSVDQUNHJEF-NSHDSACASA-N	-1	0	278.264	0.362	20	30		CCEDRM
COC(=O)c1cc(C(=O)[O-])nn1CN([C@H](C)C#N)C1CC1	ZINC001598924357	997627067	/nfs/dbraw/zinc/62/70/67/997627067.db2.gz	BYJGOUIXTOATFU-MRVPVSSYSA-N	-1	0	292.295	0.702	20	30		CCEDRM
CC1(CS(=O)(=O)N(CC#N)CCC(=O)[O-])CCC1	ZINC001594037174	997629480	/nfs/dbraw/zinc/62/94/80/997629480.db2.gz	LXKQABLNKPIPLV-UHFFFAOYSA-N	-1	0	274.342	0.807	20	30		CCEDRM
COCCN(CC(=O)[O-])C(=O)c1cccc(C#CCO)c1	ZINC001599234293	997918671	/nfs/dbraw/zinc/91/86/71/997918671.db2.gz	VETGAWJNRMBLQF-UHFFFAOYSA-N	-1	0	291.303	0.204	20	30		CCEDRM
COCCN(CCC(=O)[O-])C(=O)CC(C)(C)C#N	ZINC001599235266	997934222	/nfs/dbraw/zinc/93/42/22/997934222.db2.gz	KAXOOIBHNMURIU-UHFFFAOYSA-N	-1	0	256.302	0.876	20	30		CCEDRM
COCCN(CCC#N)C[C@@H]1[C@@H](C(=O)[O-])C1(F)F	ZINC001599235887	997945117	/nfs/dbraw/zinc/94/51/17/997945117.db2.gz	WCLIOZXIUNEGTM-BDAKNGLRSA-N	-1	0	262.256	0.814	20	30		CCEDRM
CO[C@H]1CN(CC(=O)NC2(C#N)CCC2)[C@](C)(C(=O)[O-])C1	ZINC001599131476	997953314	/nfs/dbraw/zinc/95/33/14/997953314.db2.gz	NPJMLIFLCPRGOR-MFKMUULPSA-N	-1	0	295.339	0.113	20	30		CCEDRM
CO[C@H]1CN(CC(=O)NC2(C#N)CCC2)[C@@](C)(C(=O)[O-])C1	ZINC001599131478	997953899	/nfs/dbraw/zinc/95/38/99/997953899.db2.gz	NPJMLIFLCPRGOR-ZWNOBZJWSA-N	-1	0	295.339	0.113	20	30		CCEDRM
COc1cc(C(=O)N[C@H](CF)C(=O)[O-])ccc1C#N	ZINC001599353282	998133856	/nfs/dbraw/zinc/13/38/56/998133856.db2.gz	SDWCXEOHDYHYJF-SECBINFHSA-N	-1	0	266.228	0.719	20	30		CCEDRM
COC[C@@](C)(C#N)NC(=O)c1ccc(C(=O)[O-])o1	ZINC001599144038	998180144	/nfs/dbraw/zinc/18/01/44/998180144.db2.gz	RKVVADHMFFCYQN-LLVKDONJSA-N	-1	0	252.226	0.636	20	30		CCEDRM
COC[C@](C)(CC(=O)[O-])NC(=O)Cc1ccc(C#N)nc1	ZINC001599147179	998232986	/nfs/dbraw/zinc/23/29/86/998232986.db2.gz	PBSFYTILMKEFSY-AWEZNQCLSA-N	-1	0	291.307	0.492	20	30		CCEDRM
CC1=NO[C@@H](CNC(=O)N2CCC(C#N)(C(=O)[O-])CC2)C1	ZINC001594119692	998263403	/nfs/dbraw/zinc/26/34/03/998263403.db2.gz	XPRHUVCXLLCMHB-SNVBAGLBSA-N	-1	0	294.311	0.551	20	30		CCEDRM
C[C@@H]1[C@@H](C(=O)[O-])CCN1C(=O)C(=O)NCC(C)(C)CC#N	ZINC001594138571	998407931	/nfs/dbraw/zinc/40/79/31/998407931.db2.gz	MLWZJVAUKFHBJB-ZJUUUORDSA-N	-1	0	295.339	0.364	20	30		CCEDRM
COC[C@H](C)NC(=S)NN=Cc1ccc(C(=O)[O-])n1C	ZINC001599158395	998413711	/nfs/dbraw/zinc/41/37/11/998413711.db2.gz	BCCXQZQBWMBMMA-QMMMGPOBSA-N	-1	0	298.368	0.556	20	30		CCEDRM
COC[C@H](NC(=O)Nc1cccc(C#N)c1)C(=O)[O-]	ZINC000167412271	334925128	/nfs/dbraw/zinc/92/51/28/334925128.db2.gz	BTYBOFLNYQHTOE-JTQLQIEISA-N	-1	0	263.253	0.779	20	30		CCEDRM
N#Cc1cccc(S(=O)(=O)N[C@@H]2C=C[C@H](C(=O)[O-])C2)c1	ZINC000092181576	349483755	/nfs/dbraw/zinc/48/37/55/349483755.db2.gz	USLJRUYAAKLFFE-WDEREUQCSA-N	-1	0	292.316	0.866	20	30		CCEDRM
CC(C)[C@@H](C#N)[N-]S(=O)(=O)c1nn(C)cc1[N+](=O)[O-]	ZINC000600666830	362028010	/nfs/dbraw/zinc/02/80/10/362028010.db2.gz	GMMGHZKCRDTHMA-SSDOTTSWSA-N	-1	0	287.301	0.155	20	30		CCEDRM
CCC[C@H](C#N)[N-]S(=O)(=O)c1nn(C)cc1[N+](=O)[O-]	ZINC000600667388	362028112	/nfs/dbraw/zinc/02/81/12/362028112.db2.gz	BXLOBWFORHTDKC-SSDOTTSWSA-N	-1	0	287.301	0.299	20	30		CCEDRM
C=CCSCCNC(=O)[C@H]1C[C@@H](C)[C@H](C(=O)[O-])O1	ZINC000600867605	362082737	/nfs/dbraw/zinc/08/27/37/362082737.db2.gz	BMQCCOUSAALXTI-OPRDCNLKSA-N	-1	0	273.354	0.900	20	30		CCEDRM
C=C(C)C[C@@H](NC(=O)Cn1cc([N+](=O)[O-])cn1)C(=O)[O-]	ZINC000600871456	362084432	/nfs/dbraw/zinc/08/44/32/362084432.db2.gz	FLCZZJJRPKUEIS-SECBINFHSA-N	-1	0	282.256	0.327	20	30		CCEDRM
Cc1cc(C)c(Cn2c(=O)[n-]cc(C#N)c2=O)c(C)n1	ZINC000601083189	362145994	/nfs/dbraw/zinc/14/59/94/362145994.db2.gz	ABOCUQOJMFFHKE-UHFFFAOYSA-N	-1	0	270.292	0.777	20	30		CCEDRM
N#Cc1c[n-][nH]c1=NC(=O)c1cnn2c1CCCC2	ZINC000601640069	362336356	/nfs/dbraw/zinc/33/63/56/362336356.db2.gz	UCMMVSVGQZYZTP-UHFFFAOYSA-N	-1	0	256.269	0.488	20	30		CCEDRM
Cn1nc(C(C)(C)C)cc1C(=O)N=c1[nH][n-]cc1C#N	ZINC000601640600	362337528	/nfs/dbraw/zinc/33/75/28/362337528.db2.gz	IJLSYJHPUCAUNG-UHFFFAOYSA-N	-1	0	272.312	0.987	20	30		CCEDRM
N#Cc1c[n-][nH]c1=NC(=O)c1cnc2n1CCCCC2	ZINC000601637329	362334252	/nfs/dbraw/zinc/33/42/52/362334252.db2.gz	TXOYTMIEHNXJCN-UHFFFAOYSA-N	-1	0	270.296	0.878	20	30		CCEDRM
C=CCSCCNC(=O)C[C@@]1(C(=O)[O-])CCOC1	ZINC000602006962	362454850	/nfs/dbraw/zinc/45/48/50/362454850.db2.gz	KJLHGVZVBUHMDS-LBPRGKRZSA-N	-1	0	273.354	0.903	20	30		CCEDRM
C=CCSCCNC(=O)[C@H](C)O[C@H](C)C(=O)[O-]	ZINC000602008557	362456247	/nfs/dbraw/zinc/45/62/47/362456247.db2.gz	LTLJGASKIIJZAU-DTWKUNHWSA-N	-1	0	261.343	0.900	20	30		CCEDRM
CC[C@@H]1CCCCN1C(=O)Cn1cc(C#N)c(=O)[n-]c1=O	ZINC000602026780	362463245	/nfs/dbraw/zinc/46/32/45/362463245.db2.gz	OEIPSYUHRFJQEF-LLVKDONJSA-N	-1	0	290.323	0.612	20	30		CCEDRM
C[C@@H](N(C)C(=O)Cn1cc(C#N)c(=O)[n-]c1=O)C(C)(C)C	ZINC000602051705	362468390	/nfs/dbraw/zinc/46/83/90/362468390.db2.gz	HYCYHLVIPPHTPJ-SECBINFHSA-N	-1	0	292.339	0.714	20	30		CCEDRM
C[C@@H]1CC[C@@H](C)N1C(=O)CCn1cc(C#N)c(=O)[n-]c1=O	ZINC000602118436	362500211	/nfs/dbraw/zinc/50/02/11/362500211.db2.gz	MIVQOLQJJPSNHU-NXEZZACHSA-N	-1	0	290.323	0.610	20	30		CCEDRM
CSCCCN(C)C(=O)Cn1cc(C#N)c(=O)[n-]c1=O	ZINC000602149244	362525776	/nfs/dbraw/zinc/52/57/76/362525776.db2.gz	FQFQCRPSIIPMAM-UHFFFAOYSA-N	-1	0	296.352	0.032	20	30		CCEDRM
Cn1cc(C#N)c(=NC(=O)N[C@@H](C(N)=O)c2ccccc2)[n-]1	ZINC000617995362	365865116	/nfs/dbraw/zinc/86/51/16/365865116.db2.gz	XUHJBLVIZXTAPI-LLVKDONJSA-N	-1	0	298.306	0.062	20	30		CCEDRM
N#Cc1ccc(S(=O)(=O)NCC(=O)[O-])c(F)c1	ZINC000535496434	290832927	/nfs/dbraw/zinc/83/29/27/290832927.db2.gz	ANGLTUVOVCNUPM-UHFFFAOYSA-N	-1	0	258.230	0.060	20	30		CCEDRM
Cc1ncc(S(=O)(=O)[N-]c2cn[nH]c2)cc1C#N	ZINC000311108222	137074319	/nfs/dbraw/zinc/07/43/19/137074319.db2.gz	DRAKIUMCDJFXMF-UHFFFAOYSA-N	-1	0	263.282	0.786	20	30		CCEDRM
Cc1ncc(S(=O)(=O)N(C)CCCC(=O)[O-])cc1C#N	ZINC000313083018	137078055	/nfs/dbraw/zinc/07/80/55/137078055.db2.gz	LQJFSHWGOXKLGC-UHFFFAOYSA-N	-1	0	297.336	0.747	20	30		CCEDRM
N#Cc1cccc(CCNC(=O)[C@H]2CC[C@H](C(=O)[O-])O2)c1	ZINC000344542688	137200458	/nfs/dbraw/zinc/20/04/58/137200458.db2.gz	CFTNAWIRAQVCOC-CHWSQXEVSA-N	-1	0	288.303	0.849	20	30		CCEDRM
N#Cc1cccc(CS(=O)(=O)N2CCC[C@H]2C(=O)[O-])c1	ZINC000036981748	348177155	/nfs/dbraw/zinc/17/71/55/348177155.db2.gz	KKSIZPWDKYGFOB-LBPRGKRZSA-N	-1	0	294.332	0.937	20	30		CCEDRM
Cn1cc(C#N)c(=NC(=O)N2CCC(C3(O)CC3)CC2)[n-]1	ZINC000602884378	362863310	/nfs/dbraw/zinc/86/33/10/362863310.db2.gz	BLGAOZFMRJKVCE-UHFFFAOYSA-N	-1	0	289.339	0.482	20	30		CCEDRM
Cn1cc(C#N)c(=NC(=O)N2CC[C@H]2C(F)F)[n-]1	ZINC000602880856	362860486	/nfs/dbraw/zinc/86/04/86/362860486.db2.gz	NKXFYZROPOLJHR-ZETCQYMHSA-N	-1	0	255.228	0.585	20	30		CCEDRM
N#Cc1cccc(NC(=O)N2CCO[C@@H](C(=O)[O-])C2)c1	ZINC000043702758	348312391	/nfs/dbraw/zinc/31/23/91/348312391.db2.gz	ZZRUPJXZQRQWFZ-LLVKDONJSA-N	-1	0	275.264	0.876	20	30		CCEDRM
O=C([N-]S(=O)(=O)c1cccnc1)[C@H]1COCCO1	ZINC000048533048	348413755	/nfs/dbraw/zinc/41/37/55/348413755.db2.gz	YEKOWEYQRNLVHP-SECBINFHSA-N	-1	0	272.282	0.142	20	30		CCEDRM
C[C@H](C#N)CNS(=O)(=O)c1ccc(CC(=O)[O-])cc1	ZINC000054156533	348543696	/nfs/dbraw/zinc/54/36/96/348543696.db2.gz	HSAYKFSDJLWYBP-SECBINFHSA-N	-1	0	282.321	0.752	20	30		CCEDRM
CC#CCCCC(=O)NCc1nc(C(=O)OCC)n[nH]1	ZINC000603017027	362939590	/nfs/dbraw/zinc/93/95/90/362939590.db2.gz	ORDGKGRCVNKWAA-UHFFFAOYSA-N	-1	0	278.312	0.791	20	30		CCEDRM
C[C@H]1CN(C(=O)c2cc(=O)n(C)[n-]2)C[C@H](C)N1CC#N	ZINC000603090203	362957361	/nfs/dbraw/zinc/95/73/61/362957361.db2.gz	LZXMANIJZLWUBF-UWVGGRQHSA-N	-1	0	277.328	0.184	20	30		CCEDRM
CC(C)Cn1cnc(S(=O)(=O)[N-]c2n[nH]cc2C#N)c1	ZINC000180141785	351280624	/nfs/dbraw/zinc/28/06/24/351280624.db2.gz	YISIEDPOLQJHPQ-UHFFFAOYSA-N	-1	0	294.340	0.935	20	30		CCEDRM
CCCCN(C)S(=O)(=O)[N-]c1nn(C)cc1C#N	ZINC000123404627	187089952	/nfs/dbraw/zinc/08/99/52/187089952.db2.gz	CVBRPPYCHVLAMT-UHFFFAOYSA-N	-1	0	271.346	0.680	20	30		CCEDRM
N#Cc1ccc(S(=O)(=O)N[C@@H]2C=C[C@@H](C(=O)[O-])C2)s1	ZINC000230325801	352111490	/nfs/dbraw/zinc/11/14/90/352111490.db2.gz	PLMHCUOVEFRPLX-HTQZYQBOSA-N	-1	0	298.345	0.927	20	30		CCEDRM
CCN(CC(=O)[O-])S(=O)(=O)c1ccc(C#N)s1	ZINC000230323870	352111795	/nfs/dbraw/zinc/11/17/95/352111795.db2.gz	BSEGJDVEVRQFHY-UHFFFAOYSA-N	-1	0	274.323	0.715	20	30		CCEDRM
CC[C@H](C(=O)[O-])N(C)S(=O)(=O)c1cccnc1C#N	ZINC000233881751	352153500	/nfs/dbraw/zinc/15/35/00/352153500.db2.gz	SVMSNVBSAVPTBE-SECBINFHSA-N	-1	0	283.309	0.437	20	30		CCEDRM
C[C@@]1(NS(=O)(=O)c2cccnc2C#N)CCOC1	ZINC000235468483	352184195	/nfs/dbraw/zinc/18/41/95/352184195.db2.gz	RQUHFVWAMPWWNQ-LLVKDONJSA-N	-1	0	267.310	0.411	20	30		CCEDRM
C[C@H](CO)CCCNS(=O)(=O)c1cccnc1C#N	ZINC000235470295	352184360	/nfs/dbraw/zinc/18/43/60/352184360.db2.gz	JKAMTIFPEURPRM-JTQLQIEISA-N	-1	0	283.353	0.640	20	30		CCEDRM
N#Cc1ncccc1S(=O)(=O)N[C@H]1CCCC[C@H]1CO	ZINC000236495815	352195978	/nfs/dbraw/zinc/19/59/78/352195978.db2.gz	IENTYGNZTMNIJE-QWRGUYRKSA-N	-1	0	295.364	0.783	20	30		CCEDRM
C[C@@H](CCC(=O)[O-])NS(=O)(=O)c1ccc(C#N)o1	ZINC000287241018	353633973	/nfs/dbraw/zinc/63/39/73/353633973.db2.gz	ORCSVYWIZBSDIP-ZETCQYMHSA-N	-1	0	272.282	0.683	20	30		CCEDRM
CC[C@@](C)(CNS(=O)(=O)c1cncc(C#N)c1)C(=O)[O-]	ZINC000290723305	353745278	/nfs/dbraw/zinc/74/52/78/353745278.db2.gz	VHQJIWJTOQUGTQ-LBPRGKRZSA-N	-1	0	297.336	0.732	20	30		CCEDRM
N#Cc1cccc(NC(=O)C(=O)[N-]OCC2CC2)c1	ZINC000293351458	353805443	/nfs/dbraw/zinc/80/54/43/353805443.db2.gz	KVYADNMEJXUADY-UHFFFAOYSA-N	-1	0	259.265	0.955	20	30		CCEDRM
C=CCOCCNC(=O)N1CC[C@H](C(=O)[O-])[C@H](C)C1	ZINC000302553771	354082578	/nfs/dbraw/zinc/08/25/78/354082578.db2.gz	WEGFXNSSOBCSDE-MNOVXSKESA-N	-1	0	270.329	0.941	20	30		CCEDRM
Cn1cccc(N/C([O-])=N/[C@@H]2CCc3nc[nH]c3C2)c1=O	ZINC000329777766	354260366	/nfs/dbraw/zinc/26/03/66/354260366.db2.gz	KQNCCAKPQKEIRL-SECBINFHSA-N	-1	0	287.323	0.992	20	30		CCEDRM
N#Cc1ccc(C(=O)NCCc2n[n-]c(=N)o2)cc1	ZINC000348240320	355894342	/nfs/dbraw/zinc/89/43/42/355894342.db2.gz	AWXQHLCTHBKMAP-UHFFFAOYSA-N	-1	0	257.253	0.326	20	30		CCEDRM
N#CCc1cccc(S(=O)(=O)NCCCC(=O)[O-])c1	ZINC000619470110	366265014	/nfs/dbraw/zinc/26/50/14/366265014.db2.gz	KFWWLMXTPJOECB-UHFFFAOYSA-N	-1	0	282.321	0.896	20	30		CCEDRM
N#CC1(CNC(=O)N=c2nc3ccccn3[n-]2)CC1	ZINC000619538311	366277440	/nfs/dbraw/zinc/27/74/40/366277440.db2.gz	ONOZQFFOGYOKQY-UHFFFAOYSA-N	-1	0	256.269	0.576	20	30		CCEDRM
C=CCOCCCC(=O)N=c1ccc(C(=O)OC)n[n-]1	ZINC000619606779	366297848	/nfs/dbraw/zinc/29/78/48/366297848.db2.gz	ZSIHDTDXLGWJRS-UHFFFAOYSA-N	-1	0	279.296	0.606	20	30		CCEDRM
CO[C@H]1CCN(C(=O)N=c2[n-]n(C)cc2C#N)[C@@H](C)C1	ZINC000619662357	366315507	/nfs/dbraw/zinc/31/55/07/366315507.db2.gz	CNFNZPYLGWKXJS-ONGXEEELSA-N	-1	0	277.328	0.745	20	30		CCEDRM
Cn1ncc(C(=O)N=c2cc(C(F)(F)F)[n-][nH]2)c1C#N	ZINC000359840760	356907784	/nfs/dbraw/zinc/90/77/84/356907784.db2.gz	SZWUQBYYLGCJNM-UHFFFAOYSA-N	-1	0	284.201	0.708	20	30		CCEDRM
CSCCCNC(=O)N=c1[n-]n(C)cc1C#N	ZINC000610527931	363572496	/nfs/dbraw/zinc/57/24/96/363572496.db2.gz	AJUCCAOTQKRLQX-UHFFFAOYSA-N	-1	0	253.331	0.588	20	30		CCEDRM
Cc1csc(CCNC(=O)N=c2[n-]n(C)cc2C#N)n1	ZINC000610564984	363579779	/nfs/dbraw/zinc/57/97/79/363579779.db2.gz	XTXGIPVVTJCKPP-UHFFFAOYSA-N	-1	0	290.352	0.843	20	30		CCEDRM
N#CC1(CS(=O)(=O)N[C@H]2CCCC[C@H]2C(=O)[O-])CC1	ZINC000563148289	358556582	/nfs/dbraw/zinc/55/65/82/358556582.db2.gz	PVIIVPHPEQPRIM-ZJUUUORDSA-N	-1	0	286.353	0.853	20	30		CCEDRM
CC(C)[C@H](CNS(=O)(=O)CC1(CC#N)CC1)C(=O)[O-]	ZINC000582363870	359139648	/nfs/dbraw/zinc/13/96/48/359139648.db2.gz	MEMJYFCGDIBWPU-JTQLQIEISA-N	-1	0	288.369	0.956	20	30		CCEDRM
N#Cc1cc(O)cc(C(=O)NCCc2n[n-]c(=N)o2)c1	ZINC000586809819	359293995	/nfs/dbraw/zinc/29/39/95/359293995.db2.gz	GCOVWQGVTAQNAQ-UHFFFAOYSA-N	-1	0	273.252	0.032	20	30		CCEDRM
C[C@@H]1CSC[C@H]1NC(=O)N=c1[n-]n(C)cc1C#N	ZINC000588258683	359320075	/nfs/dbraw/zinc/32/00/75/359320075.db2.gz	BLAPRMMQTUBDKH-VXNVDRBHSA-N	-1	0	265.342	0.587	20	30		CCEDRM
CCCn1cc(C(=O)N=c2[nH][n-]c(C3CC3)c2C#N)nn1	ZINC000588767353	359336358	/nfs/dbraw/zinc/33/63/58/359336358.db2.gz	SDFBPCORYRVVBR-UHFFFAOYSA-N	-1	0	285.311	0.834	20	30		CCEDRM
N#CCN1CCC(N=c2[n-]nc(C(F)F)o2)CC1	ZINC000590081118	359421244	/nfs/dbraw/zinc/42/12/44/359421244.db2.gz	XOLNHXGGFSZVQL-UHFFFAOYSA-N	-1	0	257.244	0.829	20	30		CCEDRM
CC[C@H](NC(=O)N=c1[n-]n(C)cc1C#N)[C@H]1CCCO1	ZINC000611127431	363661783	/nfs/dbraw/zinc/66/17/83/363661783.db2.gz	DPVOMLQDILNVQY-WDEREUQCSA-N	-1	0	277.328	0.793	20	30		CCEDRM
CC[C@@H](NC(=O)N=c1[n-]n(C)cc1C#N)[C@H](O)C(C)C	ZINC000591338186	359579614	/nfs/dbraw/zinc/57/96/14/359579614.db2.gz	UPUZRFYGDHSWLE-GHMZBOCLSA-N	-1	0	279.344	0.631	20	30		CCEDRM
COc1cc(C#N)ccc1OCC(=O)[N-]OC(C)(C)CO	ZINC000297195461	200110509	/nfs/dbraw/zinc/11/05/09/200110509.db2.gz	MCCIAWFQXZEVKG-UHFFFAOYSA-N	-1	0	294.307	0.764	20	30		CCEDRM
CC[C@H](CCNS(=O)(=O)c1ccc(C#N)nc1)C(=O)[O-]	ZINC000297340340	200154510	/nfs/dbraw/zinc/15/45/10/200154510.db2.gz	YKIHQOHVCNTCRW-SECBINFHSA-N	-1	0	297.336	0.732	20	30		CCEDRM
CC(C)(C)c1cc(Cn2c(=O)[n-]cc(C#N)c2=O)no1	ZINC000563126095	291196277	/nfs/dbraw/zinc/19/62/77/291196277.db2.gz	DAEDRKQDLUUTCK-UHFFFAOYSA-N	-1	0	274.280	0.742	20	30		CCEDRM
N#Cc1c[n-]c(=O)n(CC(=O)C2CCCCC2)c1=O	ZINC000563127608	291196447	/nfs/dbraw/zinc/19/64/47/291196447.db2.gz	PEHMPQWUKZUFIA-UHFFFAOYSA-N	-1	0	261.281	0.558	20	30		CCEDRM
Cc1nc(Cn2c(=O)[n-]cc(C#N)c2=O)sc1C	ZINC000592354406	359823058	/nfs/dbraw/zinc/82/30/58/359823058.db2.gz	PYPWXHDYEYXVMN-UHFFFAOYSA-N	-1	0	262.294	0.530	20	30		CCEDRM
CC[C@H]1CC[C@H](C(=O)[O-])N1S(=O)(=O)CCCC#N	ZINC000592447469	359843277	/nfs/dbraw/zinc/84/32/77/359843277.db2.gz	HRHWWVDEPVAAOS-VHSXEESVSA-N	-1	0	274.342	0.948	20	30		CCEDRM
Cc1c(C#N)c(=NC(=O)c2cnc(C)cn2)[n-]n1C	ZINC000592645652	359907870	/nfs/dbraw/zinc/90/78/70/359907870.db2.gz	DKKPSRLANVXNED-UHFFFAOYSA-N	-1	0	256.269	0.373	20	30		CCEDRM
N#Cc1cccc(C(=O)N2CCC[C@@H](c3n[nH]c(=O)[n-]3)C2)n1	ZINC000592796762	359939115	/nfs/dbraw/zinc/93/91/15/359939115.db2.gz	MAJMQJMJKGLPIX-SECBINFHSA-N	-1	0	298.306	0.797	20	30		CCEDRM
CC#CC[C@@H](CO)NC(=O)c1cc([N+](=O)[O-])ccc1[O-]	ZINC000592926651	359984418	/nfs/dbraw/zinc/98/44/18/359984418.db2.gz	URMRATZDNHVBHA-VIFPVBQESA-N	-1	0	278.264	0.805	20	30		CCEDRM
CC(C)n1cnc(=NC(=O)c2cc(C#N)cn2C)[n-]1	ZINC000593234232	360054743	/nfs/dbraw/zinc/05/47/43/360054743.db2.gz	RQLIACJHIDYBJJ-UHFFFAOYSA-N	-1	0	258.285	0.743	20	30		CCEDRM
C[C@H](CC#N)N(C)S(=O)(=O)NC1([C@H](C)C(=O)[O-])CC1	ZINC000593272772	360058846	/nfs/dbraw/zinc/05/88/46/360058846.db2.gz	BTYNZBBGLOJFEU-RKDXNWHRSA-N	-1	0	289.357	0.308	20	30		CCEDRM
CN(CCC#N)S(=O)(=O)NC[C@H](CC1CC1)C(=O)[O-]	ZINC000593275583	360059463	/nfs/dbraw/zinc/05/94/63/360059463.db2.gz	DZPNNHQHIUWCSD-JTQLQIEISA-N	-1	0	289.357	0.167	20	30		CCEDRM
C[C@H](C#N)CN(C)S(=O)(=O)NC1([C@H](C)C(=O)[O-])CC1	ZINC000593273916	360059827	/nfs/dbraw/zinc/05/98/27/360059827.db2.gz	OBXRKAGVICJZAZ-RKDXNWHRSA-N	-1	0	289.357	0.166	20	30		CCEDRM
CNC(=O)c1ccc(=NC(=O)CCCCCC#N)[n-]n1	ZINC000593341845	360068822	/nfs/dbraw/zinc/06/88/22/360068822.db2.gz	YVMWBZLFKNHNMB-UHFFFAOYSA-N	-1	0	275.312	0.671	20	30		CCEDRM
Cc1ocnc1CNC(=O)N=c1[n-]n(C)cc1C#N	ZINC000611388774	363712808	/nfs/dbraw/zinc/71/28/08/363712808.db2.gz	FNBNVKHONOVNBR-UHFFFAOYSA-N	-1	0	260.257	0.332	20	30		CCEDRM
N#Cc1ccc(S(=O)(=O)N[C@@H](CCF)C(=O)[O-])cn1	ZINC000594573253	360332606	/nfs/dbraw/zinc/33/26/06/360332606.db2.gz	MCBWLIDHOOZCSK-VIFPVBQESA-N	-1	0	287.272	0.044	20	30		CCEDRM
C[C@@H]1[C@H]2C[C@]1(C(=O)[O-])N(S(=O)(=O)CCCCC#N)C2	ZINC000596041193	360780184	/nfs/dbraw/zinc/78/01/84/360780184.db2.gz	XHXVFLVSBDDEAR-SCVCMEIPSA-N	-1	0	286.353	0.805	20	30		CCEDRM
Cc1cc(C(=O)N=c2[n-]nc(C3CC3)n2C)ncc1C#N	ZINC000597897197	361278573	/nfs/dbraw/zinc/27/85/73/361278573.db2.gz	KYULDIPRAIVDRN-UHFFFAOYSA-N	-1	0	282.307	0.942	20	30		CCEDRM
C=CCOC[C@@H](NC(=O)C1(CF)CCOCC1)C(=O)[O-]	ZINC000621538235	366790418	/nfs/dbraw/zinc/79/04/18/366790418.db2.gz	JSVRXWWRPQICAB-SNVBAGLBSA-N	-1	0	289.303	0.525	20	30		CCEDRM
N#Cc1c(C2CC2)[n-][nH]c1=NC(=O)c1cnc2n1CCOC2	ZINC000598733670	361501477	/nfs/dbraw/zinc/50/14/77/361501477.db2.gz	ACYXCIKFDSNDSB-UHFFFAOYSA-N	-1	0	298.306	0.560	20	30		CCEDRM
CO[C@H](C(=O)N=c1[n-]n(C)cc1C#N)C1CCCC1	ZINC000598817721	361522324	/nfs/dbraw/zinc/52/23/24/361522324.db2.gz	XOQVQSAFZMHURH-NSHDSACASA-N	-1	0	262.313	0.857	20	30		CCEDRM
C=C(CC)C[N-]S(=O)(=O)c1nn(C)cc1[N+](=O)[O-]	ZINC000599328584	361654152	/nfs/dbraw/zinc/65/41/52/361654152.db2.gz	AGPGWTCRIXUATM-UHFFFAOYSA-N	-1	0	274.302	0.573	20	30		CCEDRM
N#Cc1cccc(S(=O)(=O)N(CCO)CCC(=O)[O-])c1	ZINC000614375934	364587967	/nfs/dbraw/zinc/58/79/67/364587967.db2.gz	IWSIGKMXMIPZCH-UHFFFAOYSA-N	-1	0	298.320	0.016	20	30		CCEDRM
CN(CCC#N)S(=O)(=O)N1CCCCC[C@H]1C(=O)[O-]	ZINC000614381824	364589267	/nfs/dbraw/zinc/58/92/67/364589267.db2.gz	RHYMGAKNCOPNGS-JTQLQIEISA-N	-1	0	289.357	0.406	20	30		CCEDRM
N#C[C@]1(F)CCN(Cc2cc(=O)n3[n-]ccc3n2)C1	ZINC000615637896	365031723	/nfs/dbraw/zinc/03/17/23/365031723.db2.gz	JRZOCHGTCPHGER-GFCCVEGCSA-N	-1	0	261.260	0.460	20	30		CCEDRM
C=CCCNC(=O)c1ccc([N-]S(C)(=O)=O)nc1	ZINC000628058332	369172196	/nfs/dbraw/zinc/17/21/96/369172196.db2.gz	HFAOKAGDVZMBTA-UHFFFAOYSA-N	-1	0	269.326	0.759	20	30		CCEDRM
C=C(C)CS(=O)(=O)N1C[C@@H](OC)C[C@]1(C)C(=O)[O-]	ZINC000629308571	369628302	/nfs/dbraw/zinc/62/83/02/369628302.db2.gz	SBIZUZYPSZACPS-GXSJLCMTSA-N	-1	0	277.342	0.456	20	30		CCEDRM
N#Cc1cc(F)ccc1S(=O)(=O)[N-]N1CCCNC1=O	ZINC000276678706	193425591	/nfs/dbraw/zinc/42/55/91/193425591.db2.gz	LFKYOOJRGQZORH-UHFFFAOYSA-N	-1	0	298.299	0.306	20	30		CCEDRM
C=CCOC[C@@H](NC(=O)CCn1cccn1)C(=O)[O-]	ZINC000630185772	369995972	/nfs/dbraw/zinc/99/59/72/369995972.db2.gz	GJZXGTNWOIMGCC-SNVBAGLBSA-N	-1	0	267.285	0.045	20	30		CCEDRM
C=CCOC[C@H](NC(=O)c1cc(C)no1)C(=O)[O-]	ZINC000630186595	369996327	/nfs/dbraw/zinc/99/63/27/369996327.db2.gz	WAAHYQMOKCAVOY-QMMMGPOBSA-N	-1	0	254.242	0.369	20	30		CCEDRM
C=CCOC[C@@H](NC(=O)c1cnc2n1CCC2)C(=O)[O-]	ZINC000630188031	369996809	/nfs/dbraw/zinc/99/68/09/369996809.db2.gz	TWIBXTCULJKIKP-SECBINFHSA-N	-1	0	279.296	0.215	20	30		CCEDRM
C=CC[C@H]1CCN(C(=O)Cn2cc(C(=O)[O-])nn2)C1	ZINC000630234413	370020259	/nfs/dbraw/zinc/02/02/59/370020259.db2.gz	LPWBUVASYLQBPT-VIFPVBQESA-N	-1	0	264.285	0.401	20	30		CCEDRM
C=C(C)C[C@@H](NC(=O)[C@H](C)NC(=O)c1ccoc1)C(=O)[O-]	ZINC000630327062	370047896	/nfs/dbraw/zinc/04/78/96/370047896.db2.gz	VSFRBBGKVVCVGU-GXSJLCMTSA-N	-1	0	294.307	0.934	20	30		CCEDRM
C=CCn1cc(C(=O)N2C[C@H](OC)C[C@]2(C)C(=O)[O-])nn1	ZINC000630308486	370040800	/nfs/dbraw/zinc/04/08/00/370040800.db2.gz	BZVAZKNBMITCFA-NOZJJQNGSA-N	-1	0	294.311	0.168	20	30		CCEDRM
C=CCC[C@H](NC(=O)COCC(F)F)C(=O)[O-]	ZINC000630182681	369993943	/nfs/dbraw/zinc/99/39/43/369993943.db2.gz	PSLJHHANYSZHDW-ZETCQYMHSA-N	-1	0	251.229	0.804	20	30		CCEDRM
C=CCC[C@H](NC(=O)CCc1cnn(C)c1)C(=O)[O-]	ZINC000630183061	369995109	/nfs/dbraw/zinc/99/51/09/369995109.db2.gz	SDKGYUPDKGGJKB-NSHDSACASA-N	-1	0	265.313	0.888	20	30		CCEDRM
C=C(C)C[C@@H](NS(=O)(=O)N(C)CC(C)C)C(=O)[O-]	ZINC000630438737	370117266	/nfs/dbraw/zinc/11/72/66/370117266.db2.gz	XVUAOLTZUGGPPD-SNVBAGLBSA-N	-1	0	278.374	0.828	20	30		CCEDRM
C=C(C)C[C@H](NS(=O)(=O)[C@@H]1COC(C)(C)C1)C(=O)[O-]	ZINC000630438618	370117440	/nfs/dbraw/zinc/11/74/40/370117440.db2.gz	UCMSDQBXMNFSKQ-UWVGGRQHSA-N	-1	0	291.369	0.893	20	30		CCEDRM
C=C(C)C[C@H](NS(=O)(=O)C[C@H](C)OC)C(=O)[O-]	ZINC000634654804	372127076	/nfs/dbraw/zinc/12/70/76/372127076.db2.gz	VMWRZDCWEXKAJF-IUCAKERBSA-N	-1	0	265.331	0.360	20	30		CCEDRM
C=CCOCCCNC(=O)[C@H](C)O[C@H](C)C(=O)[O-]	ZINC000656485353	412812193	/nfs/dbraw/zinc/81/21/93/412812193.db2.gz	CTOHMMWHWMTOJA-VHSXEESVSA-N	-1	0	259.302	0.574	20	30		CCEDRM
C=CCCNC(=O)N[C@H](C(=O)[O-])C1CCOCC1	ZINC000656588317	412830955	/nfs/dbraw/zinc/83/09/55/412830955.db2.gz	JQQKBQKTPAFBPQ-JTQLQIEISA-N	-1	0	256.302	0.742	20	30		CCEDRM
C=CCCS(=O)(=O)NC[C@@H](CC(=O)[O-])C1CC1	ZINC000656726120	412848398	/nfs/dbraw/zinc/84/83/98/412848398.db2.gz	ZSUQMOWMTQOLJE-SNVBAGLBSA-N	-1	0	261.343	0.983	20	30		CCEDRM
N#Cc1cc(N2CCC(C3N=NC(=O)O3)CC2)ncn1	ZINC000515445918	249134801	/nfs/dbraw/zinc/13/48/01/249134801.db2.gz	GDFBQQFAQTYFLF-UHFFFAOYSA-N	-1	0	272.268	0.821	20	30		CCEDRM
N#Cc1c[n-]c(=O)n(CC(=O)C2CCCCCC2)c1=O	ZINC000518769220	249260631	/nfs/dbraw/zinc/26/06/31/249260631.db2.gz	HHLYBOUGJYRVET-UHFFFAOYSA-N	-1	0	275.308	0.948	20	30		CCEDRM
CCOC(=O)c1cc(=NC(=O)[C@]2(C#N)C[C@@H]2C)[nH][n-]1	ZINC000574841655	335051781	/nfs/dbraw/zinc/05/17/81/335051781.db2.gz	RNRXIFCLULYCHJ-MADCSZMMSA-N	-1	0	262.269	0.497	20	30		CCEDRM
CC[C@@]1(C)NC(=O)N([N-]C(=O)c2cc(C#N)oc2C)C1=O	ZINC000281178318	195137964	/nfs/dbraw/zinc/13/79/64/195137964.db2.gz	DVPHNXRWNBBJCF-CYBMUJFWSA-N	-1	0	290.279	0.825	20	30		CCEDRM
C#CCO[N-]C(=O)[C@@H](c1ccccc1)N1CCN(C)CC1	ZINC000291248709	388918797	/nfs/dbraw/zinc/91/87/97/388918797.db2.gz	LUIRDSCGFNCILV-OAHLLOKOSA-N	-1	0	287.363	0.656	20	30		CCEDRM
C#CCO[N-]C(=O)[C@H]1CSCN1C(=O)/C(C)=C/CC	ZINC000291236725	388919422	/nfs/dbraw/zinc/91/94/22/388919422.db2.gz	KUKNNVHLYGLYLJ-CDCCAWJDSA-N	-1	0	282.365	0.925	20	30		CCEDRM
C#CCO[N-]C(=O)CN(C)C(=O)c1cccs1	ZINC000291277392	388919921	/nfs/dbraw/zinc/91/99/21/388919921.db2.gz	OIOHKNPLFRMYDD-UHFFFAOYSA-N	-1	0	252.295	0.501	20	30		CCEDRM
C#CCO[N-]C(=O)[C@@]1(C)Cc2ccccc2C(=O)O1	ZINC000291359731	388921171	/nfs/dbraw/zinc/92/11/71/388921171.db2.gz	YDGPIFGGRCYBIL-CQSZACIVSA-N	-1	0	259.261	0.839	20	30		CCEDRM
C=CCCCS(=O)(=O)N[C@H]1C=C[C@@H](C(=O)[O-])C1	ZINC000291827778	388939681	/nfs/dbraw/zinc/93/96/81/388939681.db2.gz	FVRREAWUUFYPKU-ZJUUUORDSA-N	-1	0	259.327	0.901	20	30		CCEDRM
C=CCCCS(=O)(=O)N(CCOC)CC(=O)[O-]	ZINC000291861996	388941839	/nfs/dbraw/zinc/94/18/39/388941839.db2.gz	JZKKCFCWIWKYKG-UHFFFAOYSA-N	-1	0	265.331	0.315	20	30		CCEDRM
C=CCN=c1[n-]nc(S[C@@H](CC)C(N)=O)s1	ZINC000336739067	389017351	/nfs/dbraw/zinc/01/73/51/389017351.db2.gz	OTVMVQYAOJMYQR-LURJTMIESA-N	-1	0	258.372	0.914	20	30		CCEDRM
C[C@@H](CC#N)NC(=O)c1c[nH]c2nc(=O)[n-]c(=O)c-2c1	ZINC000338064770	389072740	/nfs/dbraw/zinc/07/27/40/389072740.db2.gz	KDPMNSKNDJHDSF-LURJTMIESA-N	-1	0	273.252	0.468	20	30		CCEDRM
CCN(C[C@H](C)C#N)C(=O)Cn1nc(SC)[n-]c1=O	ZINC000194575714	389098008	/nfs/dbraw/zinc/09/80/08/389098008.db2.gz	DZGKBAPIWIIGDY-MRVPVSSYSA-N	-1	0	283.357	0.301	20	30		CCEDRM
Cc1ccc(-n2[n-]c(C(=O)NCC#N)cc2=O)cc1	ZINC000360099368	389190721	/nfs/dbraw/zinc/19/07/21/389190721.db2.gz	SKDGMZGOKZLASQ-UHFFFAOYSA-N	-1	0	256.265	0.727	20	30		CCEDRM
O=C(CSc1n[nH]c(=O)[n-]1)N[C@H]1CCCOC1	ZINC000329304599	389156039	/nfs/dbraw/zinc/15/60/39/389156039.db2.gz	XZDFFQFDPMQLKY-LURJTMIESA-N	-1	0	258.303	0.738	20	30		CCEDRM
C=CCN=c1[n-]nc(S(=O)(=O)CCCCCO)s1	ZINC000358745215	389159385	/nfs/dbraw/zinc/15/93/85/389159385.db2.gz	XGEATSPORWVXJJ-UHFFFAOYSA-N	-1	0	291.398	0.494	20	30		CCEDRM
C=CCSCCNC(=O)[C@@H]1CC[C@H](C(=O)[O-])O1	ZINC000231936845	389160936	/nfs/dbraw/zinc/16/09/36/389160936.db2.gz	KZTFLSVACNSJEG-DTWKUNHWSA-N	-1	0	259.327	0.654	20	30		CCEDRM
CC(C)n1cc(C#N)c(=NC(=O)[C@H](C)n2cncn2)[n-]1	ZINC000330970921	389268224	/nfs/dbraw/zinc/26/82/24/389268224.db2.gz	BMNFCMGSGYZQMV-VIFPVBQESA-N	-1	0	273.300	0.549	20	30		CCEDRM
C=CCSCCNC(=O)N=c1ccc(OC)n[n-]1	ZINC000346650249	389333623	/nfs/dbraw/zinc/33/36/23/389333623.db2.gz	JQKRGEBBNRNMMH-UHFFFAOYSA-N	-1	0	268.342	0.948	20	30		CCEDRM
N#CCN(CC#N)C(=O)CSc1n[n-]c(=S)s1	ZINC000267050127	389369306	/nfs/dbraw/zinc/36/93/06/389369306.db2.gz	VRPDYOVGQHQXDE-UHFFFAOYSA-N	-1	0	285.379	0.795	20	30		CCEDRM
N#Cc1ccc(S(=O)(=O)N2CSC[C@H]2C(=O)[O-])cn1	ZINC000159677828	389371469	/nfs/dbraw/zinc/37/14/69/389371469.db2.gz	GPXSCXMBNPFNSB-VIFPVBQESA-N	-1	0	299.333	0.101	20	30		CCEDRM
CCN([C@@H](C)CC(=O)[O-])S(=O)(=O)c1ccc(C#N)nc1	ZINC000159689907	389372003	/nfs/dbraw/zinc/37/20/03/389372003.db2.gz	IDGUYTWPXODYNY-VIFPVBQESA-N	-1	0	297.336	0.827	20	30		CCEDRM
CC[C@H](C)N(CC(=O)[O-])S(=O)(=O)CCCC#N	ZINC000348951820	389396899	/nfs/dbraw/zinc/39/68/99/389396899.db2.gz	WUWMRMQAEVNZGB-VIFPVBQESA-N	-1	0	262.331	0.805	20	30		CCEDRM
N#CC1(CS(=O)(=O)[N-]CC(F)(F)CO)CCC1	ZINC000349574222	389418102	/nfs/dbraw/zinc/41/81/02/389418102.db2.gz	BDUPICAJBXFVST-UHFFFAOYSA-N	-1	0	268.285	0.227	20	30		CCEDRM
C=C(C)[C@@H]1OCC[C@H]1CNC(=O)CSc1n[nH]c(=O)[n-]1	ZINC000281260758	389612075	/nfs/dbraw/zinc/61/20/75/389612075.db2.gz	GJIUGVRGOGOJHV-WPRPVWTQSA-N	-1	0	298.368	0.288	20	30		CCEDRM
C=CCCn1cc(C(=O)N[C@H](COCC=C)C(=O)[O-])nn1	ZINC000425248559	389642875	/nfs/dbraw/zinc/64/28/75/389642875.db2.gz	CFVRTEXKESBDRJ-LLVKDONJSA-N	-1	0	294.311	0.240	20	30		CCEDRM
C=CCN=c1[n-]nc(S(=O)(=O)CC2CC2)s1	ZINC000336660988	389661902	/nfs/dbraw/zinc/66/19/02/389661902.db2.gz	JTYBVJYCONCHFH-UHFFFAOYSA-N	-1	0	259.356	0.742	20	30		CCEDRM
N#Cc1ccccc1OCC(=O)NCc1n[n-]c(=N)o1	ZINC000352108547	389755073	/nfs/dbraw/zinc/75/50/73/389755073.db2.gz	ZJUCSSIVDOMAHC-UHFFFAOYSA-N	-1	0	273.252	0.049	20	30		CCEDRM
Cc1[n-][nH]c(=NC(=O)[C@@H](C)NC(=O)C(C)(C)C)c1C#N	ZINC000431459356	389859967	/nfs/dbraw/zinc/85/99/67/389859967.db2.gz	NYFJJDXMCLAIHW-MRVPVSSYSA-N	-1	0	277.328	0.501	20	30		CCEDRM
Cc1[n-][nH]c(=NC(=O)c2ccc3n[nH]nc3c2)c1C#N	ZINC000431672393	389864117	/nfs/dbraw/zinc/86/41/17/389864117.db2.gz	YQMVQFVFJIXWKU-UHFFFAOYSA-N	-1	0	267.252	0.535	20	30		CCEDRM
Cc1[n-][nH]c(=NC(=O)[C@@H](C)Oc2cccnc2)c1C#N	ZINC000431673458	389864131	/nfs/dbraw/zinc/86/41/31/389864131.db2.gz	NZYMCTWNFDFZFV-SECBINFHSA-N	-1	0	271.280	0.813	20	30		CCEDRM
C=CCNC(=O)CN=c1[n-]c(C(=O)OC)c(C)s1	ZINC000433783543	389919380	/nfs/dbraw/zinc/91/93/80/389919380.db2.gz	PLESDJISTUBOTF-UHFFFAOYSA-N	-1	0	269.326	0.374	20	30		CCEDRM
N#Cc1ncn(CCNC(=O)c2ccc(F)cc2[O-])n1	ZINC000436666703	389982336	/nfs/dbraw/zinc/98/23/36/389982336.db2.gz	VIDRZIGHGTVMLA-UHFFFAOYSA-N	-1	0	275.243	0.424	20	30		CCEDRM
C=C[C@@H](CO)NC(=O)c1ccc([O-])c([N+](=O)[O-])c1	ZINC000436928719	389987245	/nfs/dbraw/zinc/98/72/45/389987245.db2.gz	BXPKOTDPUDIKLL-QMMMGPOBSA-N	-1	0	252.226	0.577	20	30		CCEDRM
N#CC1(CS(=O)(=O)[N-]C(=O)/C=C/C2CCOCC2)CC1	ZINC000492906484	390118560	/nfs/dbraw/zinc/11/85/60/390118560.db2.gz	AVOQXCUREPJTLD-OWOJBTEDSA-N	-1	0	298.364	0.719	20	30		CCEDRM
N#CCOc1ccc(/C=C\C(=O)NCC(=O)[O-])cc1	ZINC000493007392	390118778	/nfs/dbraw/zinc/11/87/78/390118778.db2.gz	RHAZMSQOMAOHLR-UTCJRWHESA-N	-1	0	260.249	0.803	20	30		CCEDRM
C#CCCS(=O)(=O)[N-]C(=O)/C=C\c1ccnn1CC	ZINC000493231924	390121223	/nfs/dbraw/zinc/12/12/23/390121223.db2.gz	ATJHVEXJPIYPSD-SREVYHEPSA-N	-1	0	281.337	0.386	20	30		CCEDRM
N#CC1(CNC(=O)CNS(=O)(=O)c2cccs2)CC1	ZINC000579048235	390137167	/nfs/dbraw/zinc/13/71/67/390137167.db2.gz	WXWPGVWKTJRSDL-UHFFFAOYSA-N	-1	0	299.377	0.446	20	30		CCEDRM
C=CCOC[C@H](NS(=O)(=O)N(C)CC(C)C)C(=O)[O-]	ZINC000579105604	390141249	/nfs/dbraw/zinc/14/12/49/390141249.db2.gz	DCTYGDWMTDEIFR-JTQLQIEISA-N	-1	0	294.373	0.064	20	30		CCEDRM
C=CCn1cc(C(=O)N2C[C@@H](C(=O)[O-])CC[C@@H]2C)nn1	ZINC000647743008	390156289	/nfs/dbraw/zinc/15/62/89/390156289.db2.gz	SZEVIYRCPAVTFA-UWVGGRQHSA-N	-1	0	278.312	0.789	20	30		CCEDRM
C=CCn1cc(C(=O)N2C[C@@H](C)C[C@H](C(=O)[O-])C2)nn1	ZINC000647743068	390156393	/nfs/dbraw/zinc/15/63/93/390156393.db2.gz	WLHHPKHNFMHZMV-UWVGGRQHSA-N	-1	0	278.312	0.647	20	30		CCEDRM
C=CCOCCCC(=O)N[C@@H](C(=O)[O-])c1ccnn1C	ZINC000647771763	390167005	/nfs/dbraw/zinc/16/70/05/390167005.db2.gz	TWCFKMLZWKYBTO-GFCCVEGCSA-N	-1	0	281.312	0.645	20	30		CCEDRM
CC#CC[C@H](NS(=O)(=O)N1CCC[C@@H]1C)C(=O)[O-]	ZINC000543785857	390293923	/nfs/dbraw/zinc/29/39/23/390293923.db2.gz	CVAXSTSHMHTPDM-UWVGGRQHSA-N	-1	0	274.342	0.172	20	30		CCEDRM
CC(=NNCC(=O)[O-])[C@@H](C)NC(=O)OC(C)(C)C	ZINC000495721109	390245946	/nfs/dbraw/zinc/24/59/46/390245946.db2.gz	OWCURLCRERTEAX-SSDOTTSWSA-N	-1	0	259.306	0.950	20	30		CCEDRM
C=CCn1cc(CNC(=O)[C@@H]2CC=CC[C@H]2C(=O)[O-])nn1	ZINC000644538325	390248571	/nfs/dbraw/zinc/24/85/71/390248571.db2.gz	UIKXGHROTCZUPD-VXGBXAGGSA-N	-1	0	290.323	0.747	20	30		CCEDRM
C[C@@H](NS(=O)(=O)c1cccnc1C#N)C1(CO)CC1	ZINC000594826623	390368304	/nfs/dbraw/zinc/36/83/04/390368304.db2.gz	HHIFSAPZDDQSBG-SECBINFHSA-N	-1	0	281.337	0.393	20	30		CCEDRM
C=CCn1cc(C(=O)N=c2ccc(C3CC3)n[n-]2)nn1	ZINC000648290163	390353289	/nfs/dbraw/zinc/35/32/89/390353289.db2.gz	ODDFQFRSAVZFQM-UHFFFAOYSA-N	-1	0	270.296	0.806	20	30		CCEDRM
C=CCCOCC(=O)N1CCC[C@](COC)(C(=O)[O-])C1	ZINC000648344371	390359575	/nfs/dbraw/zinc/35/95/75/390359575.db2.gz	RPEWAZPNCFOFIH-AWEZNQCLSA-N	-1	0	285.340	0.919	20	30		CCEDRM
C=CCC[C@H](NC(=O)CCC(=O)NCC)C(=O)[O-]	ZINC000648345118	390359650	/nfs/dbraw/zinc/35/96/50/390359650.db2.gz	XVICJMRYJHEHER-VIFPVBQESA-N	-1	0	256.302	0.438	20	30		CCEDRM
C=CCC[C@H](NC(=O)C1(C(=O)NC)CCC1)C(=O)[O-]	ZINC000648345011	390359668	/nfs/dbraw/zinc/35/96/68/390359668.db2.gz	CRICPGOGJYUOBB-VIFPVBQESA-N	-1	0	268.313	0.438	20	30		CCEDRM
C=CCC[C@H](NS(=O)(=O)N(C)[C@@H](C)C1CC1)C(=O)[O-]	ZINC000562321077	390488204	/nfs/dbraw/zinc/48/82/04/390488204.db2.gz	CYZXFXHSIXEOBI-ONGXEEELSA-N	-1	0	290.385	0.971	20	30		CCEDRM
CN(CCC#N)S(=O)(=O)N1[C@@H](C(=O)[O-])CCC1(C)C	ZINC000562968421	390491308	/nfs/dbraw/zinc/49/13/08/390491308.db2.gz	WTPTZJUNUXNRBM-SECBINFHSA-N	-1	0	289.357	0.404	20	30		CCEDRM
Cc1cc(C)n2[n-]c(=NC(=O)N[C@@H]3CC[C@H](C#N)C3)nc2n1	ZINC000563880085	390494331	/nfs/dbraw/zinc/49/43/31/390494331.db2.gz	KMTBWKOTWCSIQZ-WDEREUQCSA-N	-1	0	299.338	0.977	20	30		CCEDRM
C=CCCS(=O)(=O)N[C@@](C)(COC)CC(=O)[O-]	ZINC000564927639	390498161	/nfs/dbraw/zinc/49/81/61/390498161.db2.gz	ZCBGBVRSJZPXTN-SNVBAGLBSA-N	-1	0	265.331	0.362	20	30		CCEDRM
C[C@@]1(C(=O)[O-])CCN(S(=O)(=O)CC2(C#N)CCC2)C1	ZINC000516430946	390481471	/nfs/dbraw/zinc/48/14/71/390481471.db2.gz	YZEUNVUFBAVYCO-LLVKDONJSA-N	-1	0	286.353	0.807	20	30		CCEDRM
C=CC[C@H](NS(=O)(=O)C1(COC)CC1)C(=O)[O-]	ZINC000646041139	390581150	/nfs/dbraw/zinc/58/11/50/390581150.db2.gz	XHWQXJIDWOIYTG-QMMMGPOBSA-N	-1	0	263.315	0.114	20	30		CCEDRM
C=CCn1cc(C(=O)N[C@H](C(=O)[O-])C(C)(C)C)nn1	ZINC000649244575	390535032	/nfs/dbraw/zinc/53/50/32/390535032.db2.gz	OACQUXYXDQLBCK-SECBINFHSA-N	-1	0	266.301	0.693	20	30		CCEDRM
C=CCCS(=O)(=O)N1CCO[C@H](CC(=O)[O-])C1	ZINC000646025594	390574978	/nfs/dbraw/zinc/57/49/78/390574978.db2.gz	BZWIRAKZOULDGF-SECBINFHSA-N	-1	0	263.315	0.068	20	30		CCEDRM
C=CC[C@H](CO)NC(=O)NCC1(C(=O)[O-])CCOCC1	ZINC000646167742	390622815	/nfs/dbraw/zinc/62/28/15/390622815.db2.gz	ACASHEPSPOCPBD-SNVBAGLBSA-N	-1	0	286.328	0.104	20	30		CCEDRM
C=CCCS(=O)(=O)N[C@@]1(C(=O)[O-])CCSC1	ZINC000566183858	390593005	/nfs/dbraw/zinc/59/30/05/390593005.db2.gz	JOJQSIRJZDMADR-VIFPVBQESA-N	-1	0	265.356	0.442	20	30		CCEDRM
C=CCCS(=O)(=O)N[C@H](C(=O)[O-])c1ccnn1C	ZINC000568382849	390713865	/nfs/dbraw/zinc/71/38/65/390713865.db2.gz	PLTUQDNLABAMPR-VIFPVBQESA-N	-1	0	273.314	0.041	20	30		CCEDRM
CC(C)[C@@H](CC(=O)[O-])NS(=O)(=O)N(C)C[C@@H](C)C#N	ZINC000567276296	390685966	/nfs/dbraw/zinc/68/59/66/390685966.db2.gz	CTMIVHAXDVQIIJ-VHSXEESVSA-N	-1	0	291.373	0.412	20	30		CCEDRM
Cc1cc(N2C[C@@H](C)O[C@H](C(=O)[O-])C2)c(C#N)cn1	ZINC000530178015	390875921	/nfs/dbraw/zinc/87/59/21/390875921.db2.gz	UTQPPYRASVYQIM-SKDRFNHKSA-N	-1	0	261.281	0.940	20	30		CCEDRM
C=CCCOCCNC(=O)C(=O)N[C@H]1CC[C@@H](C(=O)[O-])C1	ZINC000647586964	390843678	/nfs/dbraw/zinc/84/36/78/390843678.db2.gz	UBVSXEMDMRKNTO-MNOVXSKESA-N	-1	0	298.339	0.065	20	30		CCEDRM
COc1ccc(=NC(=O)NC[C@H](O)C2CC2)[n-]n1	ZINC000329143821	533252687	/nfs/dbraw/zinc/25/26/87/533252687.db2.gz	VVQORFAHTVUSSA-QMMMGPOBSA-N	-1	0	252.274	0.004	20	30		CCEDRM
N#Cc1cc(F)ccc1S(=O)(=O)NCCCC(=O)[O-]	ZINC000261620756	131157300	/nfs/dbraw/zinc/15/73/00/131157300.db2.gz	CCDCVOWBOVDTTH-UHFFFAOYSA-N	-1	0	286.284	0.840	20	30		CCEDRM
CC(C)n1cc(C#N)c(=NC(=O)C(=O)NC[C@H]2C[C@H]2C)[n-]1	ZINC000359064377	144192629	/nfs/dbraw/zinc/19/26/29/144192629.db2.gz	VHJFZKRGGPPVJU-NXEZZACHSA-N	-1	0	289.339	0.468	20	30		CCEDRM
Cc1ccc(F)cc1C(=O)C(=O)N=c1[n-]n(C)cc1C#N	ZINC000359076394	144193097	/nfs/dbraw/zinc/19/30/97/144193097.db2.gz	KXBPWLOYTRQXJY-UHFFFAOYSA-N	-1	0	286.266	0.983	20	30		CCEDRM
C=CCCCS(=O)(=O)N[C@@H](Cc1ncccn1)C(=O)[O-]	ZINC000650428130	397718914	/nfs/dbraw/zinc/71/89/14/397718914.db2.gz	CFHDCZCORBGOQL-JTQLQIEISA-N	-1	0	299.352	0.358	20	30		CCEDRM
C=C(C)C[C@H](C)C(=O)N=c1ccc(C(=O)NC)n[n-]1	ZINC000650817886	397765918	/nfs/dbraw/zinc/76/59/18/397765918.db2.gz	QECFQHTVMLTWRE-VIFPVBQESA-N	-1	0	262.313	0.799	20	30		CCEDRM
CS(=O)(=O)N(CC(=O)[O-])Cc1cccc(C#N)c1	ZINC000548572918	286049258	/nfs/dbraw/zinc/04/92/58/286049258.db2.gz	ANYJQPLRRAYVBZ-UHFFFAOYSA-N	-1	0	268.294	0.404	20	30		CCEDRM
C=CCOC[C@@H](NC(=O)c1cncc(COC)c1)C(=O)[O-]	ZINC000659158033	413319233	/nfs/dbraw/zinc/31/92/33/413319233.db2.gz	ZSLUYKXXLIRFKI-GFCCVEGCSA-N	-1	0	294.307	0.614	20	30		CCEDRM
C=CCn1cc(C(=O)NC[C@@H](CC(=O)[O-])C2CC2)nn1	ZINC000659205612	413339177	/nfs/dbraw/zinc/33/91/77/413339177.db2.gz	ATZNOXHPWONWMP-SNVBAGLBSA-N	-1	0	278.312	0.695	20	30		CCEDRM
C#CC[C@H](NS(=O)(=O)c1ccccc1)C(=O)[O-]	ZINC000008861689	170357787	/nfs/dbraw/zinc/35/77/87/170357787.db2.gz	CEDVYSBJYALOGL-JTQLQIEISA-N	-1	0	253.279	0.441	20	30		CCEDRM
C=C(C)CN(C)S(=O)(=O)N(C)CCC(=O)[O-]	ZINC000219287706	411736797	/nfs/dbraw/zinc/73/67/97/411736797.db2.gz	UZELWIKLWBBFAT-UHFFFAOYSA-N	-1	0	250.320	0.146	20	30		CCEDRM
C=CCN(C(=O)NC[C@H](C)C(=O)[O-])[C@@H](C)COC	ZINC000659413699	413484200	/nfs/dbraw/zinc/48/42/00/413484200.db2.gz	XEXUCPWBDGGNHD-UWVGGRQHSA-N	-1	0	258.318	0.940	20	30		CCEDRM
C=C[C@H](CCC(=O)[O-])NS(=O)(=O)CC[C@H]1CCCO1	ZINC000654787532	412439235	/nfs/dbraw/zinc/43/92/35/412439235.db2.gz	AMWVERKNVOOWPD-GHMZBOCLSA-N	-1	0	291.369	0.894	20	30		CCEDRM
C=CCOCCNC(=O)N(C)[C@H](COCC)C(=O)[O-]	ZINC000654813818	412440941	/nfs/dbraw/zinc/44/09/41/412440941.db2.gz	GHAWRTYBLYQVHE-SNVBAGLBSA-N	-1	0	274.317	0.320	20	30		CCEDRM
C=CCN(CC=C)S(=O)(=O)c1cnn(CC(=O)[O-])c1	ZINC000035651741	172328296	/nfs/dbraw/zinc/32/82/96/172328296.db2.gz	FNTSNWASAZOWPK-UHFFFAOYSA-N	-1	0	285.325	0.330	20	30		CCEDRM
C=CCCNC(=O)C(=O)N[C@H]1CC[C@@H](C(=O)[O-])C1	ZINC000659660261	413757835	/nfs/dbraw/zinc/75/78/35/413757835.db2.gz	IMVJVAKAJIVHBG-BDAKNGLRSA-N	-1	0	254.286	0.048	20	30		CCEDRM
CCN(C[C@H](C)C#N)S(=O)(=O)c1c[nH]c(C(=O)[O-])c1	ZINC000037838157	173795497	/nfs/dbraw/zinc/79/54/97/173795497.db2.gz	APXAEYDZMAHRAI-MRVPVSSYSA-N	-1	0	285.325	0.883	20	30		CCEDRM
C=CC[C@H]1CCCN(C(=O)C(=O)N2CC[C@@H](C(=O)[O-])C2)C1	ZINC000662911287	414886623	/nfs/dbraw/zinc/88/66/23/414886623.db2.gz	CNPVCQVHIBVLCX-NWDGAFQWSA-N	-1	0	294.351	0.734	20	30		CCEDRM
C=CCN(C(=O)C(=O)NC[C@@H](C(=O)[O-])C1CCC1)C1CC1	ZINC000663634534	415100807	/nfs/dbraw/zinc/10/08/07/415100807.db2.gz	DXUVHHZCYOSJKX-GFCCVEGCSA-N	-1	0	294.351	0.781	20	30		CCEDRM
O=C(NCC#CCO)c1cc2c(cc1O)CCCC2	ZINC000332741150	228167270	/nfs/dbraw/zinc/16/72/70/228167270.db2.gz	ZFVRRALZUIJFAC-UHFFFAOYSA-N	-1	0	259.305	0.997	20	30		CCEDRM
C=C(C)COCCNC(=O)N1CCO[C@H](C(=O)[O-])C1	ZINC000164154813	544720111	/nfs/dbraw/zinc/72/01/11/544720111.db2.gz	NBCLFMBKGZJYFB-JTQLQIEISA-N	-1	0	272.301	0.074	20	30		CCEDRM
C=CC[C@@H](NS(=O)(=O)N1CCC[C@H](C)C1)C(=O)[O-]	ZINC000252123255	544929106	/nfs/dbraw/zinc/92/91/06/544929106.db2.gz	JQWZHQKBAWUFQI-VHSXEESVSA-N	-1	0	276.358	0.582	20	30		CCEDRM
CC(C)[C@H](C(=O)[N-]S(C)(=O)=O)N1CCCC1=O	ZINC000073086964	260165461	/nfs/dbraw/zinc/16/54/61/260165461.db2.gz	IESBAYNCGTYAJK-SECBINFHSA-N	-1	0	262.331	0.550	20	30		CCEDRM
C[C@@H](CC#N)N(C)C(=O)CNC(=O)c1cccc(O)c1	ZINC000274432440	263024038	/nfs/dbraw/zinc/02/40/38/263024038.db2.gz	GCNIXJGLKHPLPI-JTQLQIEISA-N	-1	0	275.308	0.883	20	30		CCEDRM
CN(CCC#N)C(=O)C(C)(C)[N-]C(=O)C(F)(F)F	ZINC000277155979	263039909	/nfs/dbraw/zinc/03/99/09/263039909.db2.gz	XOHZHCPYSVXSSF-UHFFFAOYSA-N	-1	0	265.235	0.816	20	30		CCEDRM
CO/N=C/C(=O)N(C)Cc1nc(=O)c2sccc2[n-]1	ZINC000283099887	263081174	/nfs/dbraw/zinc/08/11/74/263081174.db2.gz	WYPHEGOCZCVKAM-LFYBBSHMSA-N	-1	0	280.309	0.988	20	30		CCEDRM
CC[C@@](C)(C#N)C(=O)Nc1ccc(-n2nn[n-]c2=O)cc1	ZINC000286410496	263098396	/nfs/dbraw/zinc/09/83/96/263098396.db2.gz	FKHWXIQDFVXNHY-ZDUSSCGKSA-N	-1	0	286.295	0.834	20	30		CCEDRM
CC[C@](C)(CNS(=O)(=O)CC1(C#N)CC1)C(=O)[O-]	ZINC000575233744	335086053	/nfs/dbraw/zinc/08/60/53/335086053.db2.gz	IZERVFIPCGRXLS-SNVBAGLBSA-N	-1	0	274.342	0.710	20	30		CCEDRM
C=CC[C@@H](NS(=O)(=O)c1c(C)nn(C)c1C)C(=O)[O-]	ZINC000161287613	264279651	/nfs/dbraw/zinc/27/96/51/264279651.db2.gz	XTZZTZGMMKOJDP-SECBINFHSA-N	-1	0	287.341	0.345	20	30		CCEDRM
C=C(C)[C@@H](CC(=O)NCCc1nc(=O)o[n-]1)OCC	ZINC000280034176	264438931	/nfs/dbraw/zinc/43/89/31/264438931.db2.gz	FQAYJHXMGHYSDG-SECBINFHSA-N	-1	0	269.301	0.393	20	30		CCEDRM
C=C[C@H](CO)NC(=O)c1cc([O-])cc([N+](=O)[O-])c1	ZINC000356855587	266192347	/nfs/dbraw/zinc/19/23/47/266192347.db2.gz	NIXOCZHARGFCID-MRVPVSSYSA-N	-1	0	252.226	0.577	20	30		CCEDRM
CCC[C@@H](C)C(=O)N1CC(n2cc(C#N)c(=O)[n-]c2=O)C1	ZINC000530269008	267031034	/nfs/dbraw/zinc/03/10/34/267031034.db2.gz	YPTIWAUCZFPPHV-SECBINFHSA-N	-1	0	290.323	0.640	20	30		CCEDRM
C[C@@H]1[C@@H](C(=O)[O-])CCN1S(=O)(=O)CCCCC#N	ZINC000376758272	268014242	/nfs/dbraw/zinc/01/42/42/268014242.db2.gz	NDFLSEKUIRBXCV-ZJUUUORDSA-N	-1	0	274.342	0.805	20	30		CCEDRM
CC1(C)C[C@@]1(C#N)NC(=O)c1c[n-]n2c1nccc2=O	ZINC000333009642	281332818	/nfs/dbraw/zinc/33/28/18/281332818.db2.gz	NJQKSFKMABNCFE-ZDUSSCGKSA-N	-1	0	271.280	0.445	20	30		CCEDRM
C=C[C@@H](CCC(=O)[O-])NS(=O)(=O)CCC(=O)OCC	ZINC000584335784	327905445	/nfs/dbraw/zinc/90/54/45/327905445.db2.gz	MCTQTPYMNAMVCL-VIFPVBQESA-N	-1	0	293.341	0.278	20	30		CCEDRM
COCC[C@H](NS(=O)(=O)CC1(CC#N)CC1)C(=O)[O-]	ZINC000563224617	327981120	/nfs/dbraw/zinc/98/11/20/327981120.db2.gz	AFRNFNVPMWNHIB-VIFPVBQESA-N	-1	0	290.341	0.089	20	30		CCEDRM
C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)N[C@@]1(C(=O)[O-])CCOC1	ZINC000571617993	328138238	/nfs/dbraw/zinc/13/82/38/328138238.db2.gz	JBAOHMWBPLXBEO-SUNKGSAMSA-N	-1	0	298.339	0.511	20	30		CCEDRM
COC(=O)NCC(=O)[N-]S(=O)(=O)c1ccc(F)cc1	ZINC000048455653	328313387	/nfs/dbraw/zinc/31/33/87/328313387.db2.gz	MDBJFGXJOFHMJS-UHFFFAOYSA-N	-1	0	290.272	0.827	20	30		CCEDRM
C[C@@H]1CN(S(=O)(=O)CCCC#N)[C@@H](C(=O)[O-])[C@H](C)O1	ZINC000578193349	327304397	/nfs/dbraw/zinc/30/43/97/327304397.db2.gz	TUOFGBUXHRSPSA-KXUCPTDWSA-N	-1	0	290.341	0.182	20	30		CCEDRM
C[C@H](C#N)CN(C)S(=O)(=O)NC1(C(=O)[O-])CCCC1	ZINC000561161031	327370551	/nfs/dbraw/zinc/37/05/51/327370551.db2.gz	YUWVUYQRSRUWEX-SECBINFHSA-N	-1	0	289.357	0.310	20	30		CCEDRM
CC[C@H](CCNS(=O)(=O)N(C)C[C@@H](C)C#N)C(=O)[O-]	ZINC000565054601	327426258	/nfs/dbraw/zinc/42/62/58/327426258.db2.gz	AGXSDVYXXURJRZ-VHSXEESVSA-N	-1	0	291.373	0.413	20	30		CCEDRM
C#CCN(CC#N)S(=O)(=O)c1c(C)oc(C)c1C(=O)[O-]	ZINC000281015433	327597080	/nfs/dbraw/zinc/59/70/80/327597080.db2.gz	NEIBOTUJZGJRCZ-UHFFFAOYSA-N	-1	0	296.304	0.742	20	30		CCEDRM
C[C@H](C(=O)[O-])C1CN(S(=O)(=O)CC2(C#N)CC2)C1	ZINC000530367810	329359760	/nfs/dbraw/zinc/35/97/60/329359760.db2.gz	YKBVPRHEFQHGTK-QMMMGPOBSA-N	-1	0	272.326	0.272	20	30		CCEDRM
C=CCC1(C(=O)N[C@H](CCOC)C(=O)[O-])CCOCC1	ZINC000425241947	329647027	/nfs/dbraw/zinc/64/70/27/329647027.db2.gz	OGPKUQGMBHHZQD-LLVKDONJSA-N	-1	0	285.340	0.965	20	30		CCEDRM
C=CCn1cc(CN=c2nc(COC)[n-]s2)nn1	ZINC000425265326	329651026	/nfs/dbraw/zinc/65/10/26/329651026.db2.gz	UOXOFAGOKWCIBU-UHFFFAOYSA-N	-1	0	266.330	0.496	20	30		CCEDRM
C=CC[C@H](CC)NC(=O)C(=O)N1CC[C@H](C(=O)[O-])C1	ZINC000420570685	329774904	/nfs/dbraw/zinc/77/49/04/329774904.db2.gz	WMNFSRAOZUQCMX-UWVGGRQHSA-N	-1	0	268.313	0.390	20	30		CCEDRM
C[C@H](C(=O)[O-])N(C)S(=O)(=O)CC1(C#N)CCCC1	ZINC000262374457	330011562	/nfs/dbraw/zinc/01/15/62/330011562.db2.gz	GACUSQBHNHEMDX-SECBINFHSA-N	-1	0	274.342	0.805	20	30		CCEDRM
N#CC1(CS(=O)(=O)N2CCC[C@@H]2C(=O)[O-])CCCC1	ZINC000262449332	330013831	/nfs/dbraw/zinc/01/38/31/330013831.db2.gz	QTSRLQCTPNHUTC-SNVBAGLBSA-N	-1	0	286.353	0.949	20	30		CCEDRM
N#CC1(CS(=O)(=O)N2CCCC[C@H]2C(=O)[O-])CC1	ZINC000262499217	330017899	/nfs/dbraw/zinc/01/78/99/330017899.db2.gz	YWDSJCZMCSUEKR-VIFPVBQESA-N	-1	0	272.326	0.559	20	30		CCEDRM
C=CCOC[C@@H](NC(=O)CCOC(C)C)C(=O)[O-]	ZINC000262954139	330036497	/nfs/dbraw/zinc/03/64/97/330036497.db2.gz	IRQMPEKPMWDUGZ-SNVBAGLBSA-N	-1	0	259.302	0.574	20	30		CCEDRM
C=CCOC[C@@H](NC(=O)c1ccc(C)nc1OC)C(=O)[O-]	ZINC000262916636	330036841	/nfs/dbraw/zinc/03/68/41/330036841.db2.gz	FUYVMHPGLSNBQD-LLVKDONJSA-N	-1	0	294.307	0.784	20	30		CCEDRM
C=CCOC[C@@H](NC(=O)CCC1CCOCC1)C(=O)[O-]	ZINC000262923910	330037002	/nfs/dbraw/zinc/03/70/02/330037002.db2.gz	GMOSJIGZFUIAQT-GFCCVEGCSA-N	-1	0	285.340	0.965	20	30		CCEDRM
C=CCC[C@H](NC(=O)CCC(=O)NCCC)C(=O)[O-]	ZINC000262995093	330038197	/nfs/dbraw/zinc/03/81/97/330038197.db2.gz	VROQUACPYCBOJT-JTQLQIEISA-N	-1	0	270.329	0.828	20	30		CCEDRM
C=CCOC[C@@H](NC(=O)c1cc(C(C)C)n[nH]1)C(=O)[O-]	ZINC000263027055	330039463	/nfs/dbraw/zinc/03/94/63/330039463.db2.gz	OHQZYZHAPCSQQO-LLVKDONJSA-N	-1	0	281.312	0.919	20	30		CCEDRM
C=CCOC[C@H](NC(=O)c1ccc(OC)nc1)C(=O)[O-]	ZINC000263040708	330040186	/nfs/dbraw/zinc/04/01/86/330040186.db2.gz	PFCLBAZDOSAHRI-JTQLQIEISA-N	-1	0	280.280	0.476	20	30		CCEDRM
C=CCOC[C@H](NC(=O)CCc1ccco1)C(=O)[O-]	ZINC000263061935	330041398	/nfs/dbraw/zinc/04/13/98/330041398.db2.gz	QRGPDCHZLTXIBB-NSHDSACASA-N	-1	0	267.281	0.984	20	30		CCEDRM
C=CCOC[C@@H](NC(=O)[C@]1(C)CC1(F)F)C(=O)[O-]	ZINC000263294038	330051783	/nfs/dbraw/zinc/05/17/83/330051783.db2.gz	ZFBFUVJQANVHKK-XCBNKYQSSA-N	-1	0	263.240	0.804	20	30		CCEDRM
C#CCNC(=O)c1ccc(N2CC[C@@](C)(C(=O)[O-])C2)nc1	ZINC000263376366	330053388	/nfs/dbraw/zinc/05/33/88/330053388.db2.gz	BLRJWLQUEVHFSV-OAHLLOKOSA-N	-1	0	287.319	0.746	20	30		CCEDRM
C#CCNC(=O)c1ccc(N2CCC[C@H](C(=O)[O-])C2)nc1	ZINC000263437733	330055754	/nfs/dbraw/zinc/05/57/54/330055754.db2.gz	VXTYVROQIPXZGI-LBPRGKRZSA-N	-1	0	287.319	0.746	20	30		CCEDRM
C[C@@H](CC#N)N(C)S(=O)(=O)N1CCC[C@@H]1C(=O)[O-]	ZINC000263546915	330059359	/nfs/dbraw/zinc/05/93/59/330059359.db2.gz	HSIQMYUBYNAWIR-DTWKUNHWSA-N	-1	0	275.330	0.014	20	30		CCEDRM
CC#CC[C@H](NS(=O)(=O)N1CCCC[C@H]1C)C(=O)[O-]	ZINC000275085935	330108995	/nfs/dbraw/zinc/10/89/95/330108995.db2.gz	ZRIOZAVIJDAKBP-MNOVXSKESA-N	-1	0	288.369	0.562	20	30		CCEDRM
C[C@@H]1CC[C@@H](C(=O)[O-])CN1S(=O)(=O)N(C)CCC#N	ZINC000422552387	330149120	/nfs/dbraw/zinc/14/91/20/330149120.db2.gz	HCTVZJNOVVWZGZ-NXEZZACHSA-N	-1	0	289.357	0.262	20	30		CCEDRM
C=C(C)CN(CC)C(=O)C(=O)N1C[C@H](C)C[C@@H](C(=O)[O-])C1	ZINC000422715114	330151889	/nfs/dbraw/zinc/15/18/89/330151889.db2.gz	RUFDZLKEBDOAEY-VXGBXAGGSA-N	-1	0	296.367	0.980	20	30		CCEDRM
C=C[C@@H]1CCCCN1C(=O)C(=O)N1C[C@@H](C)[C@H](C(=O)[O-])C1	ZINC000422912088	330159928	/nfs/dbraw/zinc/15/99/28/330159928.db2.gz	VJBUWLBLQRCHQP-IJLUTSLNSA-N	-1	0	294.351	0.733	20	30		CCEDRM
C=CCCn1cc(C(=O)N[C@H](C(=O)[O-])C(C)C)nn1	ZINC000424228802	330330730	/nfs/dbraw/zinc/33/07/30/330330730.db2.gz	VBJSXIZXZFFKOE-JTQLQIEISA-N	-1	0	266.301	0.693	20	30		CCEDRM
C=CCCCC(=O)N1CCS(=O)(=O)[C@@H](C(=O)[O-])C1	ZINC000424249431	330332128	/nfs/dbraw/zinc/33/21/28/330332128.db2.gz	TYFZPPCRZIGHJB-SECBINFHSA-N	-1	0	275.326	0.053	20	30		CCEDRM
C=C(CC)CNC(=O)C(=O)NC[C@H](CC(C)C)C(=O)[O-]	ZINC000424489255	330356874	/nfs/dbraw/zinc/35/68/74/330356874.db2.gz	POJDTYYAIAACFR-NSHDSACASA-N	-1	0	284.356	0.932	20	30		CCEDRM
C[C@H](CC#N)N(C)S(=O)(=O)N[C@@H](CC1CC1)C(=O)[O-]	ZINC000515853934	330483547	/nfs/dbraw/zinc/48/35/47/330483547.db2.gz	NMKKYXBKDXHKFF-SCZZXKLOSA-N	-1	0	289.357	0.308	20	30		CCEDRM
N#CCc1ccc(C(=O)NCc2cn(CC(=O)[O-])nn2)cc1	ZINC000439699920	330742109	/nfs/dbraw/zinc/74/21/09/330742109.db2.gz	QODAEVKQHLYWMZ-UHFFFAOYSA-N	-1	0	299.290	0.359	20	30		CCEDRM
C=CCN(CCC#N)C(=O)N=c1ccc(OC)n[n-]1	ZINC000455265567	331163410	/nfs/dbraw/zinc/16/34/10/331163410.db2.gz	ZWDFXRRTOGFBNP-UHFFFAOYSA-N	-1	0	261.285	0.841	20	30		CCEDRM
CC1(C)CC[C@H](C(=O)[O-])N1S(=O)(=O)CCCC#N	ZINC000575334114	335095264	/nfs/dbraw/zinc/09/52/64/335095264.db2.gz	UGPOEVFPCDFFFN-SECBINFHSA-N	-1	0	274.342	0.948	20	30		CCEDRM
C#C[C@H]1COCCN1C(=O)NCC(CC)(CC)C(=O)[O-]	ZINC000491546305	332235370	/nfs/dbraw/zinc/23/53/70/332235370.db2.gz	VHAOJTMBZZBTIX-NSHDSACASA-N	-1	0	282.340	0.921	20	30		CCEDRM
C#C[C@H]1COCCN1C(=O)NCCC(C)(C)C(=O)[O-]	ZINC000491665985	332274322	/nfs/dbraw/zinc/27/43/22/332274322.db2.gz	PXFUINJOSKZUGD-JTQLQIEISA-N	-1	0	268.313	0.531	20	30		CCEDRM
C#C[C@H](CCC)NC(=O)c1c[nH]c2nc(=O)[n-]c(=O)c-2c1	ZINC000491812569	332364732	/nfs/dbraw/zinc/36/47/32/332364732.db2.gz	OCTJLNCFIYVXDX-SECBINFHSA-N	-1	0	286.291	0.968	20	30		CCEDRM
N#CCCCS(=O)(=O)[N-]C(=O)/C=C/c1cscn1	ZINC000492331481	332392756	/nfs/dbraw/zinc/39/27/56/332392756.db2.gz	POBDTINFOYFRQE-ONEGZZNKSA-N	-1	0	285.350	0.906	20	30		CCEDRM
C=CCCCS(=O)(=O)N[C@H](C(=O)[O-])[C@@H](O)CCC	ZINC000521159708	333112797	/nfs/dbraw/zinc/11/27/97/333112797.db2.gz	QDYZWJWFZJQKMZ-UWVGGRQHSA-N	-1	0	279.358	0.486	20	30		CCEDRM
C#CCN(C)C(=O)c1ccc2c(c1)[n-]c(=S)n(C)c2=O	ZINC000191004553	333213330	/nfs/dbraw/zinc/21/33/30/333213330.db2.gz	ZWQPCCCLSNMCSY-UHFFFAOYSA-N	-1	0	287.344	0.927	20	30		CCEDRM
C#CCN(C)C(=O)c1ccc2c(c1)[n-]c(=S)[nH]c2=O	ZINC000191522260	333220981	/nfs/dbraw/zinc/22/09/81/333220981.db2.gz	OEONXXBROIJQNX-UHFFFAOYSA-N	-1	0	273.317	0.917	20	30		CCEDRM
C=CCN(CC(=O)[O-])S(=O)(=O)N1CCC[C@H]1C	ZINC000548562611	334162602	/nfs/dbraw/zinc/16/26/02/334162602.db2.gz	XLOKIWBAAWAPRB-SECBINFHSA-N	-1	0	262.331	0.288	20	30		CCEDRM
C=CCN(CC(=O)[O-])S(=O)(=O)c1cnc2n1CCC2	ZINC000548560167	334162657	/nfs/dbraw/zinc/16/26/57/334162657.db2.gz	FNYXPXQNWCWHPP-UHFFFAOYSA-N	-1	0	285.325	0.091	20	30		CCEDRM
C[C@H]1CCN(S(=O)(=O)CCCC#N)[C@@H](C(=O)[O-])C1	ZINC000548577309	334162798	/nfs/dbraw/zinc/16/27/98/334162798.db2.gz	WDROHCRKAVWNMX-VHSXEESVSA-N	-1	0	274.342	0.805	20	30		CCEDRM
C=CCC[C@H](NC(=O)[C@@H]1OC[C@@H]2COCC[C@H]12)C(=O)[O-]	ZINC000565718750	334591121	/nfs/dbraw/zinc/59/11/21/334591121.db2.gz	PWPUSJIHEKKFCS-FIQHERPVSA-N	-1	0	283.324	0.574	20	30		CCEDRM
C[C@H](C#N)CN(C)S(=O)(=O)N1CCC[C@@]1(C)C(=O)[O-]	ZINC000567052587	334676912	/nfs/dbraw/zinc/67/69/12/334676912.db2.gz	DEFPPLXQLDWJBM-KOLCDFICSA-N	-1	0	289.357	0.262	20	30		CCEDRM
C[C@H](C#N)CN(C)S(=O)(=O)N1CC[C@@H](CC(=O)[O-])C1	ZINC000578775851	335673915	/nfs/dbraw/zinc/67/39/15/335673915.db2.gz	MOLGSYYQPSNESL-ZJUUUORDSA-N	-1	0	289.357	0.119	20	30		CCEDRM
C=CCCS(=O)(=O)N1[C@H](C)SC[C@@H]1C(=O)[O-]	ZINC000381529669	336067684	/nfs/dbraw/zinc/06/76/84/336067684.db2.gz	YKIIWFADNHYMFB-JGVFFNPUSA-N	-1	0	265.356	0.740	20	30		CCEDRM
C=CC[C@@H](CO)NC(=O)c1ccccc1[N-]S(C)(=O)=O	ZINC000185865688	519104082	/nfs/dbraw/zinc/10/40/82/519104082.db2.gz	IGYYFMYGPRVORT-JTQLQIEISA-N	-1	0	298.364	0.725	20	30		CCEDRM
N#Cc1c(F)cccc1C(=O)NCCc1nc(=O)o[n-]1	ZINC000447636122	534763148	/nfs/dbraw/zinc/76/31/48/534763148.db2.gz	GHTNVSAKWWANMC-UHFFFAOYSA-N	-1	0	276.227	0.346	20	30		CCEDRM
CC#CC[C@H](CO)NC(=O)c1ccc([O-])c([N+](=O)[O-])c1	ZINC000592927302	545102783	/nfs/dbraw/zinc/10/27/83/545102783.db2.gz	ZMJHYEGADNORSJ-SNVBAGLBSA-N	-1	0	278.264	0.805	20	30		CCEDRM
CC#CCNC(=O)N=c1nc([C@@H](C)OC)[n-]s1	ZINC000350723512	526374520	/nfs/dbraw/zinc/37/45/20/526374520.db2.gz	XUKCZQBPVWIBEI-SSDOTTSWSA-N	-1	0	254.315	0.812	20	30		CCEDRM
C=C[C@@H]1OCCC[C@H]1NC(=O)N1CCO[C@@H](C(=O)[O-])C1	ZINC000666550582	545125212	/nfs/dbraw/zinc/12/52/12/545125212.db2.gz	DDNNVQJIGRGHNB-OUAUKWLOSA-N	-1	0	284.312	0.215	20	30		CCEDRM
C=CCOC[C@@H](NC(=O)c1nccnc1C)C(=O)[O-]	ZINC000668289854	545171374	/nfs/dbraw/zinc/17/13/74/545171374.db2.gz	FNGFBAJQMVNWHZ-SECBINFHSA-N	-1	0	265.269	0.171	20	30		CCEDRM
C=C[C@H](CO)NC(=O)N=c1[n-]nc(-c2c[nH]nc2C)s1	ZINC000350463332	527583840	/nfs/dbraw/zinc/58/38/40/527583840.db2.gz	UIVRKAUGHVIDGK-SSDOTTSWSA-N	-1	0	294.340	0.327	20	30		CCEDRM
CC(C)Oc1ccc(=NC(=O)NC[C@H](O)C2CC2)[n-]n1	ZINC000329057727	528131453	/nfs/dbraw/zinc/13/14/53/528131453.db2.gz	TUTCWMRIARIVLN-JTQLQIEISA-N	-1	0	280.328	0.783	20	30		CCEDRM
C=CC[C@H](NS(=O)(=O)N(C)[C@H](C)C1CC1)C(=O)[O-]	ZINC000681558467	545456295	/nfs/dbraw/zinc/45/62/95/545456295.db2.gz	RJWJPJSTRKCKQL-SCZZXKLOSA-N	-1	0	276.358	0.580	20	30		CCEDRM
C=CC[C@@H](NS(=O)(=O)N1CC[C@@H](C)C1)C(=O)[O-]	ZINC000681558714	545456303	/nfs/dbraw/zinc/45/63/03/545456303.db2.gz	VSMWIRVXRVHINY-RKDXNWHRSA-N	-1	0	262.331	0.192	20	30		CCEDRM
C=CCCOCC(=O)N[C@@H](C(=O)[O-])[C@H]1CCCOC1	ZINC000683332961	545508173	/nfs/dbraw/zinc/50/81/73/545508173.db2.gz	BNSSYXXYZUCWNG-CMPLNLGQSA-N	-1	0	271.313	0.575	20	30		CCEDRM
COC(=O)c1ccc(C(=O)N(CC#N)CC(=O)[O-])cc1	ZINC000737678247	581132243	/nfs/dbraw/zinc/13/22/43/581132243.db2.gz	NNBANZRFXOOCOU-UHFFFAOYSA-N	-1	0	276.248	0.524	20	30		CCEDRM
CC(C)NC(=O)C(C#N)=C([O-])c1ccnn1CC(F)F	ZINC000789402232	581147734	/nfs/dbraw/zinc/14/77/34/581147734.db2.gz	CHRGJBMITPGJAH-MRVPVSSYSA-N	-1	0	284.266	0.995	20	30		CCEDRM
N#CCN(CC(=O)[O-])C(=O)Cc1noc2ccccc21	ZINC000739078259	581172209	/nfs/dbraw/zinc/17/22/09/581172209.db2.gz	CJCWKJVAHPUXIE-UHFFFAOYSA-N	-1	0	273.248	0.807	20	30		CCEDRM
C#CCn1ccc(CN(CC)C(=O)c2n[nH]c(C)c2[O-])n1	ZINC000790109914	581177220	/nfs/dbraw/zinc/17/72/20/581177220.db2.gz	IBXFRYDXSAOWGI-UHFFFAOYSA-N	-1	0	287.323	0.916	20	30		CCEDRM
CCOCCC(=O)[N-]S(=O)(=O)CC1(C#N)CCCC1	ZINC000779313197	581180392	/nfs/dbraw/zinc/18/03/92/581180392.db2.gz	LCCJURVGFNJJPX-UHFFFAOYSA-N	-1	0	288.369	0.943	20	30		CCEDRM
CC#CCS(=O)(=O)[N-]C(=O)Cc1c(C)nn(C)c1C	ZINC000791110222	581207785	/nfs/dbraw/zinc/20/77/85/581207785.db2.gz	WLPSMZCEJMHRMK-UHFFFAOYSA-N	-1	0	283.353	0.049	20	30		CCEDRM
C[C@@H](CNC(=O)[O-])N(C)S(=O)(=O)c1ccc(C#N)cc1	ZINC000738943092	581211524	/nfs/dbraw/zinc/21/15/24/581211524.db2.gz	QXQUXFMGWXMNOL-VIFPVBQESA-N	-1	0	297.336	0.835	20	30		CCEDRM
N#CC1(C(=O)N2CC(n3cc(C(=O)[O-])nn3)C2)CCCC1	ZINC000780315740	581224534	/nfs/dbraw/zinc/22/45/34/581224534.db2.gz	ZROIZYCFZIOWST-UHFFFAOYSA-N	-1	0	289.295	0.444	20	30		CCEDRM
C#CCCCCCC(=O)Nc1n[n-]c(S(C)(=O)=O)n1	ZINC000780447568	581228590	/nfs/dbraw/zinc/22/85/90/581228590.db2.gz	GWAHVNJLESEZPC-UHFFFAOYSA-N	-1	0	284.341	0.730	20	30		CCEDRM
C=CCCCC(=O)[N-]S(=O)(=O)[C@H]1CCCOC1	ZINC000780607500	581236271	/nfs/dbraw/zinc/23/62/71/581236271.db2.gz	DESYEPSRMSNCOH-JTQLQIEISA-N	-1	0	261.343	0.968	20	30		CCEDRM
C#CCCS(=O)(=O)[N-]C(=O)c1cc(OC)cc(OC)c1	ZINC000791111231	581259571	/nfs/dbraw/zinc/25/95/71/581259571.db2.gz	QXAISKMLIUDIES-UHFFFAOYSA-N	-1	0	297.332	0.787	20	30		CCEDRM
C#CCCS(=O)(=O)[N-]C(=O)c1ccnc(SC)c1	ZINC000791110947	581259585	/nfs/dbraw/zinc/25/95/85/581259585.db2.gz	HVNJEVVCSPVKBO-UHFFFAOYSA-N	-1	0	284.362	0.886	20	30		CCEDRM
CCn1cc(CC(=O)[N-]S(=O)(=O)CC(C)(C)C#N)cn1	ZINC000781538239	581271565	/nfs/dbraw/zinc/27/15/65/581271565.db2.gz	PODZFTDFKWBCFA-UHFFFAOYSA-N	-1	0	298.368	0.441	20	30		CCEDRM
N#Cc1c(F)cccc1S(=O)(=O)[N-]C(=O)C1=COCC1	ZINC000781596018	581272765	/nfs/dbraw/zinc/27/27/65/581272765.db2.gz	RBVHEXBTIFHVGD-UHFFFAOYSA-N	-1	0	296.279	0.806	20	30		CCEDRM
CC[C@@H](NN=C1CCCc2nn(C)cc21)C(=O)[O-]	ZINC000793058354	581282876	/nfs/dbraw/zinc/28/28/76/581282876.db2.gz	TYDSZONRQBLUPZ-SECBINFHSA-N	-1	0	250.302	0.913	20	30		CCEDRM
Cn1ncc(C([O-])=C(C#N)C(=O)NC2CCCCC2)n1	ZINC000793122950	581284641	/nfs/dbraw/zinc/28/46/41/581284641.db2.gz	FPLRXDSVQLPRBN-SNVBAGLBSA-N	-1	0	275.312	0.586	20	30		CCEDRM
CCCn1cc(C(=O)[N-]S(=O)(=O)CC2(C#N)CC2)nn1	ZINC000793195398	581287776	/nfs/dbraw/zinc/28/77/76/581287776.db2.gz	DJBBEKFRHGQJFW-UHFFFAOYSA-N	-1	0	297.340	0.051	20	30		CCEDRM
N#Cc1ccc(C(=O)N2CCN(C(=O)[O-])CC2)cn1	ZINC000738430988	581319113	/nfs/dbraw/zinc/31/91/13/581319113.db2.gz	QMGYSUJVIRRGIG-UHFFFAOYSA-N	-1	0	260.253	0.389	20	30		CCEDRM
Cc1nonc1[N-]S(=O)(=O)c1cnc(C)c(C#N)c1	ZINC000794030478	581331089	/nfs/dbraw/zinc/33/10/89/581331089.db2.gz	SMILYMJQIYEXRA-UHFFFAOYSA-N	-1	0	279.281	0.754	20	30		CCEDRM
C#CC[N@H+]1CCC[C@H]1C(=O)NCCCN(C)C(=O)[O-]	ZINC000738462270	581334655	/nfs/dbraw/zinc/33/46/55/581334655.db2.gz	XZNNWWDILMGMRW-NSHDSACASA-N	-1	0	267.329	0.200	20	30		CCEDRM
C=CCCOCC(=O)N1CCN(C(=O)[O-])C[C@H]1C	ZINC000738492429	581361080	/nfs/dbraw/zinc/36/10/80/581361080.db2.gz	FAADSJQCZXNYDI-SNVBAGLBSA-N	-1	0	256.302	0.790	20	30		CCEDRM
CO[N-]C(=O)C(=O)Nc1ccc(C#N)cc1Cl	ZINC000785369015	581406736	/nfs/dbraw/zinc/40/67/36/581406736.db2.gz	HQAIVERARDUOLA-UHFFFAOYSA-N	-1	0	253.645	0.828	20	30		CCEDRM
CC(C)(C#N)CC(=O)[N-]S(=O)(=O)CC(F)(F)F	ZINC000786434014	581440617	/nfs/dbraw/zinc/44/06/17/581440617.db2.gz	RMGSKZSAPZDHSW-UHFFFAOYSA-N	-1	0	272.248	0.935	20	30		CCEDRM
C=C(C)C[C@@H](C)C(=O)[N-]S(=O)(=O)c1cc[nH]n1	ZINC000796872262	581452865	/nfs/dbraw/zinc/45/28/65/581452865.db2.gz	GPOCQMXKSGFOEG-MRVPVSSYSA-N	-1	0	257.315	0.817	20	30		CCEDRM
N#Cc1ccc(C(=O)[N-]S(=O)(=O)Cc2ccon2)o1	ZINC000796950441	581456146	/nfs/dbraw/zinc/45/61/46/581456146.db2.gz	YCORQULRPHGYKE-UHFFFAOYSA-N	-1	0	281.249	0.399	20	30		CCEDRM
C=CCS(=O)(=O)[N-]C(=O)CCc1cncnc1	ZINC000796996039	581457422	/nfs/dbraw/zinc/45/74/22/581457422.db2.gz	JMGFGZHBBVKHCG-UHFFFAOYSA-N	-1	0	255.299	0.041	20	30		CCEDRM
N#Cc1csc(C(=O)N2CCO[C@H](c3nnn[n-]3)C2)c1	ZINC000752625840	581511065	/nfs/dbraw/zinc/51/10/65/581511065.db2.gz	IFWCGIFZGGRHCZ-QMMMGPOBSA-N	-1	0	290.308	0.347	20	30		CCEDRM
N#Cc1ccsc1NC(=O)COC(=O)CCNC(=O)[O-]	ZINC000739143233	581511185	/nfs/dbraw/zinc/51/11/85/581511185.db2.gz	ZMLTWUYYLFSZBP-UHFFFAOYSA-N	-1	0	297.292	0.759	20	30		CCEDRM
CCN(CC(=O)NC1(C#N)CCOCC1)C(=O)[O-]	ZINC000739390544	581544962	/nfs/dbraw/zinc/54/49/62/581544962.db2.gz	VJDDDVZUFQYTBB-UHFFFAOYSA-N	-1	0	255.274	0.175	20	30		CCEDRM
CCN(CCC#N)C(=O)COC(=O)[C@H]1CCN(C(=O)[O-])C1	ZINC000739415314	581549432	/nfs/dbraw/zinc/54/94/32/581549432.db2.gz	PAAIMNCEFOATJS-JTQLQIEISA-N	-1	0	297.311	0.292	20	30		CCEDRM
CN(CCCNC(=O)[O-])C(=O)NC1CCN(CC#N)CC1	ZINC000739676659	581591127	/nfs/dbraw/zinc/59/11/27/581591127.db2.gz	AHBUKSMBEVKWGB-UHFFFAOYSA-N	-1	0	297.359	0.273	20	30		CCEDRM
CN(CCNC(=O)COc1ccc(C#N)cc1)C(=O)[O-]	ZINC000739693381	581594690	/nfs/dbraw/zinc/59/46/90/581594690.db2.gz	YOLOVCZWBPRYPK-UHFFFAOYSA-N	-1	0	277.280	0.663	20	30		CCEDRM
CN(Cc1cccc(C#N)c1)C(=O)COCCNC(=O)[O-]	ZINC000739714126	581598156	/nfs/dbraw/zinc/59/81/56/581598156.db2.gz	HHDKOMGTGISJPX-UHFFFAOYSA-N	-1	0	291.307	0.801	20	30		CCEDRM
COCCCNC(=O)C(C#N)=C([O-])c1cocn1	ZINC000729890517	581619093	/nfs/dbraw/zinc/61/90/93/581619093.db2.gz	ZCZQQXLRTZXXSC-MRVPVSSYSA-N	-1	0	251.242	0.150	20	30		CCEDRM
C=CCCO[C@@H](C)C(=O)[N-]S(=O)(=O)N(C)C(C)C	ZINC000729915053	581620629	/nfs/dbraw/zinc/62/06/29/581620629.db2.gz	XBISFPFDTNAPEP-JTQLQIEISA-N	-1	0	278.374	0.669	20	30		CCEDRM
CC#CCCCC(=O)[N-]S(=O)(=O)[C@H]1CCOC1	ZINC000767989427	581639878	/nfs/dbraw/zinc/63/98/78/581639878.db2.gz	KCDNRFIDIWARRM-JTQLQIEISA-N	-1	0	259.327	0.415	20	30		CCEDRM
C#CCN1CCC[C@H]1C(=O)N1CCC(c2nnn[n-]2)CC1	ZINC000735380639	581641805	/nfs/dbraw/zinc/64/18/05/581641805.db2.gz	IMKHKEATLRETFV-LBPRGKRZSA-N	-1	0	288.355	0.003	20	30		CCEDRM
C=CCCO[C@@H](C)C(=O)N1CCOC[C@H]1c1nnn[n-]1	ZINC000735416926	581647897	/nfs/dbraw/zinc/64/78/97/581647897.db2.gz	UJBAYDLTZNWIKV-UWVGGRQHSA-N	-1	0	281.316	0.081	20	30		CCEDRM
C#CCCS(=O)(=O)[N-]C(=O)Cc1c(CC)noc1CC	ZINC000788072491	581657919	/nfs/dbraw/zinc/65/79/19/581657919.db2.gz	VUTVPBNETQBXCW-UHFFFAOYSA-N	-1	0	298.364	0.811	20	30		CCEDRM
O=C([O-])Cn1cc(/C=C\C(=O)c2ccc(O)cc2)nn1	ZINC000768850007	581659263	/nfs/dbraw/zinc/65/92/63/581659263.db2.gz	WPVNQWOJJXJYCR-UTCJRWHESA-N	-1	0	273.248	0.964	20	30		CCEDRM
N#C[C@@H](NC(=O)COCCNC(=O)[O-])c1ccc(F)cc1	ZINC000740302613	581661629	/nfs/dbraw/zinc/66/16/29/581661629.db2.gz	BZNDEFBPCZKZCQ-LLVKDONJSA-N	-1	0	295.270	0.791	20	30		CCEDRM
N#C[C@@H]1CN(C(=O)[C@@H](NC(=O)[O-])c2ccccc2)CCO1	ZINC000740306137	581662876	/nfs/dbraw/zinc/66/28/76/581662876.db2.gz	CYKAYVIBNQHMNR-NEPJUHHUSA-N	-1	0	289.291	0.746	20	30		CCEDRM
N#CCCCCNC(=O)N[C@H]1CCN(C(=O)[O-])C1	ZINC000740306420	581662933	/nfs/dbraw/zinc/66/29/33/581662933.db2.gz	GKGWIKOLDJMOIN-VIFPVBQESA-N	-1	0	254.290	0.732	20	30		CCEDRM
N#CC1(NC(=O)[C@@H]2CCC[C@H](NC(=O)[O-])C2)CC1	ZINC000740310696	581664010	/nfs/dbraw/zinc/66/40/10/581664010.db2.gz	VRKIGZMUTRYYNI-BDAKNGLRSA-N	-1	0	251.286	0.985	20	30		CCEDRM
CC(C)NC(=O)C(C#N)=C([O-])c1ccc(-c2nn[nH]n2)nc1	ZINC000735881048	581669287	/nfs/dbraw/zinc/66/92/87/581669287.db2.gz	FYQHQEPEAGQWKC-VIFPVBQESA-N	-1	0	299.294	0.109	20	30		CCEDRM
C[C@@H](C#N)NC(=O)C1=NN(c2ccccc2)[C@@H](C(=O)[O-])C1	ZINC000738605879	581687228	/nfs/dbraw/zinc/68/72/28/581687228.db2.gz	YYFLUBHZFBVLIU-JOYOIKCWSA-N	-1	0	286.291	0.734	20	30		CCEDRM
C=CCNC(=O)[C@@H](C#N)C(=O)CCCNC(=O)[O-]	ZINC000736106364	581697239	/nfs/dbraw/zinc/69/72/39/581697239.db2.gz	BCPUXOKGHIGSHH-QMMMGPOBSA-N	-1	0	253.258	0.045	20	30		CCEDRM
C=CCNC(=O)[C@H](C#N)C(=O)CCSCC(=O)[O-]	ZINC000736107500	581697558	/nfs/dbraw/zinc/69/75/58/581697558.db2.gz	XIVZDVVYZBGSMR-MRVPVSSYSA-N	-1	0	270.310	0.205	20	30		CCEDRM
C=CCN(Cn1nc(C(=O)[O-])ccc1=O)C(C)C	ZINC000736108653	581698346	/nfs/dbraw/zinc/69/83/46/581698346.db2.gz	LUXDVWWMCAXNJE-UHFFFAOYSA-N	-1	0	251.286	0.795	20	30		CCEDRM
C#CCSCCNC(=O)N1CCN(C(=O)[O-])CC1	ZINC000736087033	581699718	/nfs/dbraw/zinc/69/97/18/581699718.db2.gz	BKHTUJMECYOYFP-UHFFFAOYSA-N	-1	0	271.342	0.358	20	30		CCEDRM
C#Cc1cccc(NC(=O)C(=O)NC[C@@H](C)C(=O)[O-])c1	ZINC000736091104	581701090	/nfs/dbraw/zinc/70/10/90/581701090.db2.gz	ORIPDMQFFMOVJM-SECBINFHSA-N	-1	0	274.276	0.443	20	30		CCEDRM
C#Cc1ccc(C(=O)[N-]N2C(=O)N[C@@](C)(CC)C2=O)nc1	ZINC000769811694	581708846	/nfs/dbraw/zinc/70/88/46/581708846.db2.gz	CSHKBZWJLIXCON-AWEZNQCLSA-N	-1	0	286.291	0.428	20	30		CCEDRM
CC(=O)c1[nH]c(CC(=O)NCCC#N)c(C(=O)[O-])c1C	ZINC000736177482	581713483	/nfs/dbraw/zinc/71/34/83/581713483.db2.gz	MDLCFEFCXIKIKN-UHFFFAOYSA-N	-1	0	277.280	0.796	20	30		CCEDRM
CCN(C[C@@H](C)C#N)C(=O)Cn1[n-]cc2c(=O)ncnc1-2	ZINC000730531380	581718355	/nfs/dbraw/zinc/71/83/55/581718355.db2.gz	PDEDKJLWBBFJCA-VIFPVBQESA-N	-1	0	288.311	0.079	20	30		CCEDRM
CC(C)[C@](C)(C#N)NC(=O)Cn1[n-]cc2c(=O)ncnc1-2	ZINC000730541884	581719444	/nfs/dbraw/zinc/71/94/44/581719444.db2.gz	NINCMPVBGCMRCE-ZDUSSCGKSA-N	-1	0	288.311	0.126	20	30		CCEDRM
CNC(=O)C(C#N)=C([O-])c1ccc(-c2ncon2)cc1	ZINC000730685699	581726478	/nfs/dbraw/zinc/72/64/78/581726478.db2.gz	BDWAKHZCRWGPLK-SNVBAGLBSA-N	-1	0	270.248	0.805	20	30		CCEDRM
CC(C)[C@](C)(C#N)NC(=O)COC(=O)C(C)(C)NC(=O)[O-]	ZINC000736350538	581748534	/nfs/dbraw/zinc/74/85/34/581748534.db2.gz	ZCUVIDKPGRDKFV-ZDUSSCGKSA-N	-1	0	299.327	0.630	20	30		CCEDRM
O=C([O-])CCOc1cccc(C=NN2C(=O)CNC2=O)c1	ZINC000770619273	581756853	/nfs/dbraw/zinc/75/68/53/581756853.db2.gz	YOPFBDONOJYOIK-UHFFFAOYSA-N	-1	0	291.263	0.426	20	30		CCEDRM
Cn1ccnc1C([O-])=C(C#N)C(=O)C[C@H]1CCCO1	ZINC000770730031	581764763	/nfs/dbraw/zinc/76/47/63/581764763.db2.gz	HQIWGFRMONNDDI-NXEZZACHSA-N	-1	0	261.281	0.881	20	30		CCEDRM
CC(C)CN(CCC#N)Cn1nc(C(=O)[O-])ccc1=O	ZINC000736433037	581765267	/nfs/dbraw/zinc/76/52/67/581765267.db2.gz	RICTXHWAPODJIN-UHFFFAOYSA-N	-1	0	278.312	0.771	20	30		CCEDRM
COC[C@H](C)CC(=O)C(C#N)=C([O-])c1nccn1C	ZINC000770871194	581775408	/nfs/dbraw/zinc/77/54/08/581775408.db2.gz	INMFLONHTOGEGT-NXEZZACHSA-N	-1	0	263.297	0.984	20	30		CCEDRM
CC(C)Oc1ccc(C(=O)N(CC#N)CC(=O)[O-])cn1	ZINC000736485829	581776596	/nfs/dbraw/zinc/77/65/96/581776596.db2.gz	BPNPGPSGFDIRPO-UHFFFAOYSA-N	-1	0	277.280	0.919	20	30		CCEDRM
C#CCNC(=O)[C@@H](C)OC(=O)c1cc(F)c([O-])c(F)c1	ZINC000759544319	581805613	/nfs/dbraw/zinc/80/56/13/581805613.db2.gz	CWSJCOORTDEMMI-SSDOTTSWSA-N	-1	0	283.230	0.965	20	30		CCEDRM
C#CCCCC(=O)[N-]S(=O)(=O)c1ncccc1F	ZINC000759685618	581815850	/nfs/dbraw/zinc/81/58/50/581815850.db2.gz	BMADUMGKPMTZAP-UHFFFAOYSA-N	-1	0	270.285	0.829	20	30		CCEDRM
CC(C)[C@](C)(C#N)NC(=O)[C@H](C)OC(=O)[C@@H]1C[C@@H]1C(=O)[O-]	ZINC000736682069	581817432	/nfs/dbraw/zinc/81/74/32/581817432.db2.gz	CWRXOEUNBIZFTO-RZGXBDKHSA-N	-1	0	296.323	0.693	20	30		CCEDRM
C=CCCO[C@@H](C)C(=O)[N-]S(=O)(=O)CCOCC	ZINC000732508493	581832249	/nfs/dbraw/zinc/83/22/49/581832249.db2.gz	QWMSTSOJQORXLN-JTQLQIEISA-N	-1	0	279.358	0.450	20	30		CCEDRM
C=CCS(=O)(=O)[N-]C(=O)C[C@@H]1C(=O)Nc2ccccc21	ZINC000772718241	581886242	/nfs/dbraw/zinc/88/62/42/581886242.db2.gz	PPWAXISKKYSMBB-JTQLQIEISA-N	-1	0	294.332	0.744	20	30		CCEDRM
C=CCS(=O)(=O)[N-]C(=O)c1ccc(OCCOC)cc1	ZINC000772715877	581886277	/nfs/dbraw/zinc/88/62/77/581886277.db2.gz	ZBJBBDYJARAMQB-UHFFFAOYSA-N	-1	0	299.348	0.957	20	30		CCEDRM
CCN(CC(=O)[O-])C(=O)CNc1ccc(C#N)cc1	ZINC000737069963	581895784	/nfs/dbraw/zinc/89/57/84/581895784.db2.gz	DMGQLZZCWQBEHP-UHFFFAOYSA-N	-1	0	261.281	0.903	20	30		CCEDRM
CC(=NNCCS(C)(=O)=O)c1ccc(C(=O)[O-])o1	ZINC000773054587	581906659	/nfs/dbraw/zinc/90/66/59/581906659.db2.gz	SVDVWDNDVRVPSH-UHFFFAOYSA-N	-1	0	274.298	0.336	20	30		CCEDRM
CC[C@H](NC(=O)OC(C)(C)C)C(=O)N(CC#N)CC(=O)[O-]	ZINC000737237183	581925833	/nfs/dbraw/zinc/92/58/33/581925833.db2.gz	CQTOKWHLKVDRSN-VIFPVBQESA-N	-1	0	299.327	0.726	20	30		CCEDRM
N#Cc1ccc(C(=O)[N-]S(=O)(=O)C[C@@H]2CCOC2)cn1	ZINC000762135432	581932898	/nfs/dbraw/zinc/93/28/98/581932898.db2.gz	BCOGUXNXBFECLO-SECBINFHSA-N	-1	0	295.320	0.049	20	30		CCEDRM
CN(C(C)(C)C(=O)[O-])S(=O)(=O)CCCCC#N	ZINC000737347628	581946613	/nfs/dbraw/zinc/94/66/13/581946613.db2.gz	AFDOPYPNQQHGGO-UHFFFAOYSA-N	-1	0	262.331	0.805	20	30		CCEDRM
COc1ccc(CNC(=O)c2n[nH]c(=O)[n-]2)cc1C#N	ZINC000747613986	581946778	/nfs/dbraw/zinc/94/67/78/581946778.db2.gz	HXMGYMGQEUTSPA-UHFFFAOYSA-N	-1	0	273.252	0.321	20	30		CCEDRM
CN(CC#N)CC(=O)N1Cc2ccccc2C[C@@H]1C(=O)[O-]	ZINC000737385864	581950559	/nfs/dbraw/zinc/95/05/59/581950559.db2.gz	GCOJOXCAWJTMMF-CYBMUJFWSA-N	-1	0	287.319	0.480	20	30		CCEDRM
C=C(Cl)CNC(=O)c1c[n-]n2c1nccc2=O	ZINC000773991832	581951475	/nfs/dbraw/zinc/95/14/75/581951475.db2.gz	BRDVQVHLOPIKPU-UHFFFAOYSA-N	-1	0	252.661	0.505	20	30		CCEDRM
COCCCNC(=O)C(C#N)=C([O-])c1nccs1	ZINC000774042006	581954607	/nfs/dbraw/zinc/95/46/07/581954607.db2.gz	CLFMWJVDXMOPAR-MRVPVSSYSA-N	-1	0	267.310	0.618	20	30		CCEDRM
COCCNC(=O)C(C#N)=C([O-])c1nc(C)c(C)s1	ZINC000774043249	581954623	/nfs/dbraw/zinc/95/46/23/581954623.db2.gz	OBGUBONNMBIONF-SECBINFHSA-N	-1	0	281.337	0.845	20	30		CCEDRM
CN(CCCC(=O)N1CCO[C@H](C#N)C1)C(=O)[O-]	ZINC000737418782	581955910	/nfs/dbraw/zinc/95/59/10/581955910.db2.gz	RPSWXMKLQIHHAG-SECBINFHSA-N	-1	0	255.274	0.127	20	30		CCEDRM
Cc1nc(-c2nnn[n-]2)c(N=NCc2ccc(CO)o2)o1	ZINC000737466965	581962144	/nfs/dbraw/zinc/96/21/44/581962144.db2.gz	IXEWHFWTOMLFGH-UHFFFAOYSA-N	-1	0	289.255	0.694	20	30		CCEDRM
CCc1nc(C(=O)[N-]S(=O)(=O)CC(C)(C)C#N)co1	ZINC000774294454	581969441	/nfs/dbraw/zinc/96/94/41/581969441.db2.gz	WDAMEWBKGIWSKZ-UHFFFAOYSA-N	-1	0	285.325	0.846	20	30		CCEDRM
N#Cc1c(-c2nnn[n-]2)nc(N)n1CC(F)(F)C(F)F	ZINC000737706757	581997085	/nfs/dbraw/zinc/99/70/85/581997085.db2.gz	ZHKQGZJZCXINLE-UHFFFAOYSA-N	-1	0	290.184	0.417	20	30		CCEDRM
C#C[C@@H](C)NC(=O)c1cc(S(=O)(=O)N(C)C)ccc1[O-]	ZINC000775383839	582021585	/nfs/dbraw/zinc/02/15/85/582021585.db2.gz	LQHIYQBCGRXSKY-SECBINFHSA-N	-1	0	296.348	0.394	20	30		CCEDRM
Cc1c(C(=O)N(CC#N)CC(=O)[O-])cnn1C(C)(C)C	ZINC000738258882	582032132	/nfs/dbraw/zinc/03/21/32/582032132.db2.gz	UOYVZFZUEHTQFZ-UHFFFAOYSA-N	-1	0	278.312	0.997	20	30		CCEDRM
N#CCN1CCC(NC(=O)[C@@H]2CCCN(C(=O)[O-])C2)CC1	ZINC000738426629	582048293	/nfs/dbraw/zinc/04/82/93/582048293.db2.gz	SJTWSIHRZZSJKF-LLVKDONJSA-N	-1	0	294.355	0.481	20	30		CCEDRM
N#Cc1c(Cl)nsc1N1CCO[C@@H](C(=O)[O-])C1	ZINC000738426242	582048493	/nfs/dbraw/zinc/04/84/93/582048493.db2.gz	WPWQZVHVCAKCJQ-ZCFIWIBFSA-N	-1	0	273.701	0.958	20	30		CCEDRM
Cc1ocnc1C(=O)[N-]S(=O)(=O)CCCC#N	ZINC000776117798	582052174	/nfs/dbraw/zinc/05/21/74/582052174.db2.gz	XRTABEUZYUUNPH-UHFFFAOYSA-N	-1	0	257.271	0.346	20	30		CCEDRM
N#CCCCS(=O)(=O)[N-]C(=O)[C@@H]1CC12CCC2	ZINC000776116868	582052465	/nfs/dbraw/zinc/05/24/65/582052465.db2.gz	BKDYZIGOHJEVAH-VIFPVBQESA-N	-1	0	256.327	0.926	20	30		CCEDRM
CC[C@H]1CC[C@H](C(=O)[N-]S(=O)(=O)CCCC#N)O1	ZINC000776122986	582052773	/nfs/dbraw/zinc/05/27/73/582052773.db2.gz	VXGCDXFOVIHFOA-VHSXEESVSA-N	-1	0	274.342	0.694	20	30		CCEDRM
C=C(C)CN(CC)C(=O)[C@@H](C)OC(=O)CN(C)C(=O)[O-]	ZINC000738469528	582053054	/nfs/dbraw/zinc/05/30/54/582053054.db2.gz	AOWNTUBLMOSHBF-SNVBAGLBSA-N	-1	0	286.328	0.953	20	30		CCEDRM
CC(C)(C#N)CS(=O)(=O)[N-]C(=O)[C@@H]1CCCOC1	ZINC000776137736	582053609	/nfs/dbraw/zinc/05/36/09/582053609.db2.gz	SXLPJXUEFHVYBU-SECBINFHSA-N	-1	0	274.342	0.409	20	30		CCEDRM
CO[C@H](C)CC(=O)[N-]S(=O)(=O)CC(C)(C)C#N	ZINC000776142078	582053992	/nfs/dbraw/zinc/05/39/92/582053992.db2.gz	HQWAGMHMPNIFMZ-MRVPVSSYSA-N	-1	0	262.331	0.407	20	30		CCEDRM
C=CCC[C@H](NS(=O)(=O)c1cccc(N)c1)C(=O)[O-]	ZINC000776597449	582084563	/nfs/dbraw/zinc/08/45/63/582084563.db2.gz	QAHRSQRZOPNDDP-NSHDSACASA-N	-1	0	284.337	0.967	20	30		CCEDRM
Cc1nccn1CCCC(=O)N(CC#N)CC(=O)[O-]	ZINC000738893510	582086720	/nfs/dbraw/zinc/08/67/20/582086720.db2.gz	BFJGSTZGVWLVPU-UHFFFAOYSA-N	-1	0	264.285	0.409	20	30		CCEDRM
COCCCNC(=O)C(C#N)=C([O-])c1cc(C#N)cn1C	ZINC000751824905	582093449	/nfs/dbraw/zinc/09/34/49/582093449.db2.gz	FFLFNMCDGRXSCZ-LLVKDONJSA-N	-1	0	288.307	0.372	20	30		CCEDRM
Cn1nnnc1S[C@H](C(=O)[O-])c1ccc(C#N)cc1	ZINC000739061789	582099844	/nfs/dbraw/zinc/09/98/44/582099844.db2.gz	AOHAZQUQNGOISM-VIFPVBQESA-N	-1	0	275.293	1.000	20	30		CCEDRM
N#CCCCCS(=O)(=O)N[C@H]1CCCN(C(=O)[O-])C1	ZINC000739072570	582100760	/nfs/dbraw/zinc/10/07/60/582100760.db2.gz	JSXNVACFSNZCNC-JTQLQIEISA-N	-1	0	289.357	0.742	20	30		CCEDRM
N#C[C@H](C(=O)[C@H]1C[C@@H]1C(=O)[O-])c1nnc2n1CCCCC2	ZINC000739074979	582101025	/nfs/dbraw/zinc/10/10/25/582101025.db2.gz	ORUOCJGQBYFLIK-LPEHRKFASA-N	-1	0	288.307	0.901	20	30		CCEDRM
N#CCN(CC(=O)[O-])C(=O)Cc1ccc2c(c1)OCO2	ZINC000739078594	582101605	/nfs/dbraw/zinc/10/16/05/582101605.db2.gz	JTZIKDQYBFZGOV-UHFFFAOYSA-N	-1	0	276.248	0.395	20	30		CCEDRM
N#CCN(CC(=O)[O-])S(=O)(=O)c1cccc(F)c1	ZINC000739085155	582101910	/nfs/dbraw/zinc/10/19/10/582101910.db2.gz	CSAXLAYPLRSCNW-UHFFFAOYSA-N	-1	0	272.257	0.425	20	30		CCEDRM
C=CCNC(=O)C(C#N)=C([O-])c1cccc(OC)n1	ZINC000752161140	582101980	/nfs/dbraw/zinc/10/19/80/582101980.db2.gz	QAIBDVCZAJQFKX-VIFPVBQESA-N	-1	0	259.265	0.715	20	30		CCEDRM
N#CCN(CC(=O)[O-])C(=O)c1ccc2c(c1)CCO2	ZINC000739087890	582102143	/nfs/dbraw/zinc/10/21/43/582102143.db2.gz	PUGMVMODQLOGNH-UHFFFAOYSA-N	-1	0	260.249	0.672	20	30		CCEDRM
N#CCSCC(=O)N[C@H]1CCCN(C(=O)[O-])C1	ZINC000739092115	582102187	/nfs/dbraw/zinc/10/21/87/582102187.db2.gz	PFHTZUAZXJSHJS-QMMMGPOBSA-N	-1	0	257.315	0.502	20	30		CCEDRM
CN1C(=O)CN(N=Cc2ccccc2C(=O)[O-])C1=O	ZINC000768379434	582105952	/nfs/dbraw/zinc/10/59/52/582105952.db2.gz	OHXIXEKXOYFSOR-UHFFFAOYSA-N	-1	0	261.237	0.613	20	30		CCEDRM
CN1C(=O)CN(N=Cc2ccc([O-])c([N+](=O)[O-])c2)C1=O	ZINC000768381438	582106080	/nfs/dbraw/zinc/10/60/80/582106080.db2.gz	BABJQQLSIVCDFM-UHFFFAOYSA-N	-1	0	278.224	0.528	20	30		CCEDRM
O=C([O-])Cn1cc(C=NNCCCc2ccccc2)nn1	ZINC000768483744	582107244	/nfs/dbraw/zinc/10/72/44/582107244.db2.gz	CAJUFUJUEPXQTK-UHFFFAOYSA-N	-1	0	287.323	0.919	20	30		CCEDRM
C=C(Br)CNC(=O)N[C@@H](CF)C(=O)[O-]	ZINC000837298434	613237494	/nfs/dbraw/zinc/23/74/94/613237494.db2.gz	NIDIHIDWZMTGCV-YFKPBYRVSA-N	-1	0	269.070	0.617	20	30		CCEDRM
C=C(Br)CNC(=O)[C@@H]1CN(C(=O)[O-])CCO1	ZINC000823475527	613238120	/nfs/dbraw/zinc/23/81/20/613238120.db2.gz	YTNLIPPNJRWRKE-ZETCQYMHSA-N	-1	0	293.117	0.390	20	30		CCEDRM
C#C[C@H](C)N(C)C(=O)Cc1cc(=O)n(CC(C)C)[n-]1	ZINC000935674554	613113430	/nfs/dbraw/zinc/11/34/30/613113430.db2.gz	FUZQHNLYGQZGGI-NSHDSACASA-N	-1	0	263.341	0.855	20	30		CCEDRM
CC[C@H](C)[C@H](NC(=O)[O-])C(=O)NC1=NO[C@@H](C)C1	ZINC000833865189	615694441	/nfs/dbraw/zinc/69/44/41/615694441.db2.gz	NKELOMKBRYKUGQ-ZKWXMUAHSA-N	-1	0	257.290	0.907	20	30		CCEDRM
C[C@@H](CNC(=O)[O-])N(C)C(=O)c1cc(C#N)cn1C	ZINC000824966887	603515397	/nfs/dbraw/zinc/51/53/97/603515397.db2.gz	KWCMZEGBWAGNBX-QMMMGPOBSA-N	-1	0	264.285	0.625	20	30		CCEDRM
COc1ccc(CN2CCO[C@@H](C(=O)[O-])C2)cc1C#N	ZINC000087825175	597366584	/nfs/dbraw/zinc/36/65/84/597366584.db2.gz	FPGWDLAYXREVTB-CYBMUJFWSA-N	-1	0	276.292	0.852	20	30		CCEDRM
C[C@@H](C#N)CN(C(=O)CSCC(=O)[O-])C1CC1	ZINC000819873877	597387770	/nfs/dbraw/zinc/38/77/70/597387770.db2.gz	FDRXUTDVDRBXPQ-QMMMGPOBSA-N	-1	0	256.327	0.955	20	30		CCEDRM
C[C@H](C(=O)[O-])N(C)C(=O)CNC(=O)c1ccc(C#N)cc1	ZINC000817753321	597469322	/nfs/dbraw/zinc/46/93/22/597469322.db2.gz	NKPRDUQAWIRGAR-SECBINFHSA-N	-1	0	289.291	0.220	20	30		CCEDRM
C[C@H](C(=O)[O-])N(C)CC(=O)N(CCC#N)CCC#N	ZINC000054068667	597471102	/nfs/dbraw/zinc/47/11/02/597471102.db2.gz	YPZPLCIBPUGJQY-SNVBAGLBSA-N	-1	0	266.301	0.047	20	30		CCEDRM
C[C@@](C#N)(CC(=O)[O-])C(=O)NC[C@@H](O)c1ccco1	ZINC000819835539	597633678	/nfs/dbraw/zinc/63/36/78/597633678.db2.gz	WIUBQDUZAFRZSX-PELKAZGASA-N	-1	0	266.253	0.434	20	30		CCEDRM
C[C@H](CN1CCCC1=O)NC(=O)[C@@](C)(C#N)CC(=O)[O-]	ZINC000820095651	597636274	/nfs/dbraw/zinc/63/62/74/597636274.db2.gz	LBBAMZKDVANIIL-NOZJJQNGSA-N	-1	0	281.312	0.118	20	30		CCEDRM
C[C@@](C#N)(CC(=O)[O-])C(=O)N1CCC[C@@H](n2cncn2)C1	ZINC000819811297	597643729	/nfs/dbraw/zinc/64/37/29/597643729.db2.gz	NAMXEKCSMWLDQC-MFKMUULPSA-N	-1	0	291.311	0.446	20	30		CCEDRM
C[C@](C#N)(CC(=O)[O-])C(=O)NC[C@H](O)Cc1ccccc1	ZINC000819834287	597643783	/nfs/dbraw/zinc/64/37/83/597643783.db2.gz	MPQZBSVQAGPKHV-IUODEOHRSA-N	-1	0	290.319	0.711	20	30		CCEDRM
C[C@@](C#N)(CC(=O)[O-])C(=O)NCCOC[C@@H]1CCCO1	ZINC000819841886	597646820	/nfs/dbraw/zinc/64/68/20/597646820.db2.gz	GLDVCVNKNQAQJG-GWCFXTLKSA-N	-1	0	284.312	0.303	20	30		CCEDRM
C[C@H](CNC(=O)[C@](C)(C#N)CC(=O)[O-])CC1(C)OCCO1	ZINC000820095624	597650252	/nfs/dbraw/zinc/65/02/52/597650252.db2.gz	KFDFGKMQIJKCPU-GWCFXTLKSA-N	-1	0	298.339	0.896	20	30		CCEDRM
C[C@@](C#N)(CC(=O)[O-])C(=O)Nc1nnc2n1CCCC2	ZINC000819865023	597664359	/nfs/dbraw/zinc/66/43/59/597664359.db2.gz	GGPSTITYULVATL-LBPRGKRZSA-N	-1	0	277.284	0.557	20	30		CCEDRM
C[C@H](O)[C@H]1CCN(C(=O)[C@](C)(C#N)CC(=O)[O-])C1	ZINC000820154102	597664423	/nfs/dbraw/zinc/66/44/23/597664423.db2.gz	GCEGAZDQMHNIBB-AUTRQRHGSA-N	-1	0	254.286	0.220	20	30		CCEDRM
C[C@](C#N)(CC(=O)[O-])C(=O)NC[C@@H]1CC(=O)N(C2CC2)C1	ZINC000819835657	597664427	/nfs/dbraw/zinc/66/44/27/597664427.db2.gz	WRCHWCNBNYRWDJ-LKFCYVNXSA-N	-1	0	293.323	0.118	20	30		CCEDRM
O=C([O-])CCNN=C1C(=O)Nc2ccc(F)cc21	ZINC000821525473	597739487	/nfs/dbraw/zinc/73/94/87/597739487.db2.gz	XJBKKBWOLPOWOA-UHFFFAOYSA-N	-1	0	251.217	0.546	20	30		CCEDRM
C[C@H](C#N)CNC(=O)C(=O)Nc1cccc(CC(=O)[O-])c1	ZINC000819873406	598170934	/nfs/dbraw/zinc/17/09/34/598170934.db2.gz	BFAZDWKTVPKWSE-SECBINFHSA-N	-1	0	289.291	0.528	20	30		CCEDRM
Cn1cc([C@H]2CCN(C(=O)[C@@](C)(C#N)CC(=O)[O-])C2)cn1	ZINC000821287537	598228083	/nfs/dbraw/zinc/22/80/83/598228083.db2.gz	OYXZTLXCAKHVIS-IINYFYTJSA-N	-1	0	290.323	0.741	20	30		CCEDRM
C[C@](C#N)(CC(=O)[O-])C(=O)N1CCO[C@@H]([C@@H]2CCCO2)C1	ZINC000819823664	598229950	/nfs/dbraw/zinc/22/99/50/598229950.db2.gz	VKNHGIRINKEUHS-MISXGVKJSA-N	-1	0	296.323	0.397	20	30		CCEDRM
C[C@@](C#N)(CC(=O)[O-])C(=O)NC[C@@]1(C)CCCO1	ZINC000820214686	598230048	/nfs/dbraw/zinc/23/00/48/598230048.db2.gz	CWRSVYGUPSSDCP-NWDGAFQWSA-N	-1	0	254.286	0.676	20	30		CCEDRM
Cc1ccn2c(c1)nnc2NC(=O)[C@@](C)(C#N)CC(=O)[O-]	ZINC000821131077	598230165	/nfs/dbraw/zinc/23/01/65/598230165.db2.gz	SPTZRHFQHAZYHT-CYBMUJFWSA-N	-1	0	287.279	0.981	20	30		CCEDRM
C[C@H](NC(=O)[C@@](C)(C#N)CC(=O)[O-])C1CCOCC1	ZINC000820113739	598230460	/nfs/dbraw/zinc/23/04/60/598230460.db2.gz	FURHYHRRZHUSBR-TVQRCGJNSA-N	-1	0	268.313	0.922	20	30		CCEDRM
C#CCO[C@@H](C)C(=O)N[C@@H]1CC[C@H](CC(=O)[O-])C1	ZINC000908381904	612997383	/nfs/dbraw/zinc/99/73/83/612997383.db2.gz	BPOUSXNJTISZKR-GARJFASQSA-N	-1	0	253.298	0.784	20	30		CCEDRM
N#Cc1ccc(CN2CCO[C@@H](C(=O)[O-])C2)c(F)c1	ZINC000043704481	599971016	/nfs/dbraw/zinc/97/10/16/599971016.db2.gz	FZICYRATLCWRRQ-GFCCVEGCSA-N	-1	0	264.256	0.983	20	30		CCEDRM
N#C[C@H]1CN(CCOc2cccc(C(=O)[O-])c2)CCO1	ZINC000093932977	599992455	/nfs/dbraw/zinc/99/24/55/599992455.db2.gz	VPJVXSLJBLRNHC-ZDUSSCGKSA-N	-1	0	276.292	0.988	20	30		CCEDRM
C#CCN1CCN(C(=O)c2ccc(C(=O)[O-])cn2)CC1	ZINC000383874802	600592204	/nfs/dbraw/zinc/59/22/04/600592204.db2.gz	VFVWYKBLZDETHX-UHFFFAOYSA-N	-1	0	273.292	0.171	20	30		CCEDRM
C#CCSCCNC(=O)NCCCCC(=O)[O-]	ZINC000231958748	600600657	/nfs/dbraw/zinc/60/06/57/600600657.db2.gz	ABBFFLZYAVDAFL-UHFFFAOYSA-N	-1	0	258.343	0.907	20	30		CCEDRM
N#CC1CCN(S(=O)(=O)c2c[nH]c(C(=O)[O-])c2)CC1	ZINC000694506938	600729803	/nfs/dbraw/zinc/72/98/03/600729803.db2.gz	NXIMHTLKTUUXMY-UHFFFAOYSA-N	-1	0	283.309	0.637	20	30		CCEDRM
N#CCN(CC(=O)[O-])CC(=O)Nc1cccc(F)c1	ZINC000833066538	601004941	/nfs/dbraw/zinc/00/49/41/601004941.db2.gz	CINHNZRHBOMXAY-UHFFFAOYSA-N	-1	0	265.244	0.674	20	30		CCEDRM
N#CCN(C(=O)Cn1cc(C(=O)[O-])nn1)C1CCCC1	ZINC000833066045	601200449	/nfs/dbraw/zinc/20/04/49/601200449.db2.gz	NLEWAEXVUTWCPL-UHFFFAOYSA-N	-1	0	277.284	0.271	20	30		CCEDRM
C#CCNC(=O)CNc1ccc(OC)cc1C(=O)[O-]	ZINC000825619873	601248259	/nfs/dbraw/zinc/24/82/59/601248259.db2.gz	QJJWAMCZNWSFJA-UHFFFAOYSA-N	-1	0	262.265	0.555	20	30		CCEDRM
N#C[C@@H]1CN(Cn2nc(C(=O)[O-])c3ccccc32)CCO1	ZINC000833062710	601400942	/nfs/dbraw/zinc/40/09/42/601400942.db2.gz	OUKWIOSCGLMVKM-SNVBAGLBSA-N	-1	0	286.291	0.916	20	30		CCEDRM
C[C@H](C(=O)N(C)CCC#N)N1CC[C@@](F)(C(=O)[O-])C1	ZINC000825972215	601443456	/nfs/dbraw/zinc/44/34/56/601443456.db2.gz	MIZKMCLLVUHZBY-SKDRFNHKSA-N	-1	0	271.292	0.246	20	30		CCEDRM
N#C[C@H]1CCC[C@@H]1NS(=O)(=O)c1c[nH]c(C(=O)[O-])c1	ZINC000061890071	601476700	/nfs/dbraw/zinc/47/67/00/601476700.db2.gz	BBVVPZKHEDGVCY-APPZFPTMSA-N	-1	0	283.309	0.683	20	30		CCEDRM
C[C@@H]1CN(S(=O)(=O)c2cccc(C#N)c2)C[C@@H]1C(=O)[O-]	ZINC000111253073	601590304	/nfs/dbraw/zinc/59/03/04/601590304.db2.gz	GUIIRBMSFHBKJY-SKDRFNHKSA-N	-1	0	294.332	0.899	20	30		CCEDRM
C[C@@H](CS(=O)(=O)NCc1cccc(C#N)c1)C(=O)[O-]	ZINC000827562860	601614152	/nfs/dbraw/zinc/61/41/52/601614152.db2.gz	GQHYBDOVEPRPRQ-VIFPVBQESA-N	-1	0	282.321	0.698	20	30		CCEDRM
COc1cccc(OC)c1CC(=O)N(CC#N)CC(=O)[O-]	ZINC000832567644	601673550	/nfs/dbraw/zinc/67/35/50/601673550.db2.gz	LUAHGWTYWURZEB-UHFFFAOYSA-N	-1	0	292.291	0.683	20	30		CCEDRM
C#CCSCCNC(=O)CCCn1ccc(C(=O)[O-])n1	ZINC000911422605	613015521	/nfs/dbraw/zinc/01/55/21/613015521.db2.gz	DIOTZVJQPCGLIM-UHFFFAOYSA-N	-1	0	295.364	0.844	20	30		CCEDRM
N#Cc1ccc([C@@H](O)CN2CCO[C@@H](C(=O)[O-])C2)cc1	ZINC000819095844	602016639	/nfs/dbraw/zinc/01/66/39/602016639.db2.gz	MUEMAEKSRDSEJK-QWHCGFSZSA-N	-1	0	276.292	0.377	20	30		CCEDRM
N#Cc1ccc([C@H](O)CN2CCO[C@H](C(=O)[O-])C2)cc1	ZINC000819095842	602016665	/nfs/dbraw/zinc/01/66/65/602016665.db2.gz	MUEMAEKSRDSEJK-OLZOCXBDSA-N	-1	0	276.292	0.377	20	30		CCEDRM
N#CCNS(=O)(=O)c1cc(C(=O)[O-])c(F)cc1F	ZINC000833066756	602154427	/nfs/dbraw/zinc/15/44/27/602154427.db2.gz	HAWAYWQZODQYMU-UHFFFAOYSA-N	-1	0	276.220	0.465	20	30		CCEDRM
Cn1c(=O)[nH]cc(C(=O)C=Cc2c[nH]c(C(=O)[O-])c2)c1=O	ZINC000833037547	602300031	/nfs/dbraw/zinc/30/00/31/602300031.db2.gz	DZCMNMHKTBLCIG-IHWYPQMZSA-N	-1	0	289.247	0.408	20	30		CCEDRM
C#CCSCCNC(=O)[C@H]1CC[C@@H](NC(=O)[O-])C1	ZINC000823466809	613017822	/nfs/dbraw/zinc/01/78/22/613017822.db2.gz	JBURSUSMCBSLQP-VHSXEESVSA-N	-1	0	270.354	0.905	20	30		CCEDRM
Cc1ccc(C#N)cc1S(=O)(=O)NCCCNC(=O)[O-]	ZINC000740104757	603239237	/nfs/dbraw/zinc/23/92/37/603239237.db2.gz	DSOZDUUKYGQDON-UHFFFAOYSA-N	-1	0	297.336	0.803	20	30		CCEDRM
C[C@H](CC(=O)N(CCC#N)CCC#N)NC(=O)[O-]	ZINC000824558731	603389971	/nfs/dbraw/zinc/38/99/71/603389971.db2.gz	VZCAAZWLOQDCDR-SECBINFHSA-N	-1	0	252.274	0.689	20	30		CCEDRM
Cc1ccoc1C(=O)N1CCN(C(=O)[O-])C[C@@H]1C#N	ZINC000830617243	603598343	/nfs/dbraw/zinc/59/83/43/603598343.db2.gz	ZVHLGAWHJMKYFJ-VIFPVBQESA-N	-1	0	263.253	0.916	20	30		CCEDRM
NC(=O)c1ccc(N=NCC2CCN(C(=O)[O-])CC2)nn1	ZINC000831233812	603604232	/nfs/dbraw/zinc/60/42/32/603604232.db2.gz	JBSINKKSVZAKGS-UHFFFAOYSA-N	-1	0	292.299	0.363	20	30		CCEDRM
Cn1ccnc(N=NC2CCC(NC(=O)[O-])CC2)c1=O	ZINC000831031543	603763417	/nfs/dbraw/zinc/76/34/17/603763417.db2.gz	RVNKYVGGTYICMZ-UHFFFAOYSA-N	-1	0	279.300	0.758	20	30		CCEDRM
CC(C)N(CCC(=O)N1CCOC[C@@H]1C#N)C(=O)[O-]	ZINC000824335449	603923156	/nfs/dbraw/zinc/92/31/56/603923156.db2.gz	CALDGDREZPUQLM-JTQLQIEISA-N	-1	0	269.301	0.516	20	30		CCEDRM
C=CCOCCCC(=O)O[C@@H]1CN(C(=O)[O-])CCC1=O	ZINC000823516570	603995738	/nfs/dbraw/zinc/99/57/38/603995738.db2.gz	OXPWULICZHBCDH-LLVKDONJSA-N	-1	0	285.296	0.834	20	30		CCEDRM
C[C@H](CNC(=O)[O-])N(C)C(=O)c1cc(C#N)c[nH]1	ZINC000824966753	604005009	/nfs/dbraw/zinc/00/50/09/604005009.db2.gz	JYNHDGBLTCMNGB-SSDOTTSWSA-N	-1	0	250.258	0.614	20	30		CCEDRM
N#C[C@H]1CN(C(=O)[O-])CCN1C(=O)c1cncs1	ZINC000831091335	604069730	/nfs/dbraw/zinc/06/97/30/604069730.db2.gz	BQGFRNBMIXIJKP-ZETCQYMHSA-N	-1	0	266.282	0.471	20	30		CCEDRM
N#C[C@H]1CN(C(=O)[O-])CCN1C(=O)c1ccncc1F	ZINC000831092837	604073743	/nfs/dbraw/zinc/07/37/43/604073743.db2.gz	ZEBHOWOATDSVNN-QMMMGPOBSA-N	-1	0	278.243	0.549	20	30		CCEDRM
N#C[C@@H]1CN(C(=O)[O-])CCN1C(=O)C1=COCC1	ZINC000831076554	604074533	/nfs/dbraw/zinc/07/45/33/604074533.db2.gz	OVAPBAIFXVMGJM-SECBINFHSA-N	-1	0	251.242	0.005	20	30		CCEDRM
C[C@H](C(=O)N1CCN(C(=O)[O-])C[C@H]1C#N)C(F)(F)F	ZINC000823669518	604088104	/nfs/dbraw/zinc/08/81/04/604088104.db2.gz	OJWGAUWBQUQKNU-RNFRBKRXSA-N	-1	0	279.218	0.899	20	30		CCEDRM
N#C[C@H](C(=O)N1CCCC1)C(=O)[C@]1(F)CCN(C(=O)[O-])C1	ZINC000831064281	604152877	/nfs/dbraw/zinc/15/28/77/604152877.db2.gz	DZDZPXYZFQKOHL-ZANVPECISA-N	-1	0	297.286	0.410	20	30		CCEDRM
Cn1cc(C#N)c(NC(=O)N[C@@H]2CCN(C(=O)[O-])C2)n1	ZINC000830985136	604154864	/nfs/dbraw/zinc/15/48/64/604154864.db2.gz	MFLMPZDGPHMMGY-MRVPVSSYSA-N	-1	0	278.272	0.166	20	30		CCEDRM
Cn1cc(C#N)c(NC(=O)N2CC[C@@H](CNC(=O)[O-])C2)n1	ZINC000830984299	604154910	/nfs/dbraw/zinc/15/49/10/604154910.db2.gz	BIRKDXHXAVAVBL-QMMMGPOBSA-N	-1	0	292.299	0.413	20	30		CCEDRM
C[C@@H](CN(C)C(=O)[O-])C(=O)NC1CCN(CC#N)CC1	ZINC000824849672	604157784	/nfs/dbraw/zinc/15/77/84/604157784.db2.gz	UJJRETROQRLMQW-JTQLQIEISA-N	-1	0	282.344	0.336	20	30		CCEDRM
C[C@@H]1CC[C@@H](C(=O)N2CCN(C(=O)[O-])C[C@H]2C#N)O1	ZINC000825866894	604390999	/nfs/dbraw/zinc/39/09/99/604390999.db2.gz	TWKRFWUPSOPRAJ-BBBLOLIVSA-N	-1	0	267.285	0.268	20	30		CCEDRM
C[C@@H]1C(=O)NCCN1Cc1cccc(C(=O)[O-])c1C#N	ZINC000833583662	604607699	/nfs/dbraw/zinc/60/76/99/604607699.db2.gz	KCQIRXNSHXLRKG-SECBINFHSA-N	-1	0	273.292	0.577	20	30		CCEDRM
C[C@@H](NC(=O)[O-])[C@@H]1CN(C(=O)CSCC#N)CCO1	ZINC000825301829	604665595	/nfs/dbraw/zinc/66/55/95/604665595.db2.gz	MJHFZQAZNHNMTI-BDAKNGLRSA-N	-1	0	287.341	0.127	20	30		CCEDRM
CC(C)(C)[C@@H](C#N)NS(=O)(=O)c1ccc(C(=O)[O-])nc1	ZINC000833423659	604700676	/nfs/dbraw/zinc/70/06/76/604700676.db2.gz	OMWKZAWYXGOBPI-SNVBAGLBSA-N	-1	0	297.336	0.996	20	30		CCEDRM
C#CCNC(=S)NCCOc1ccc(C(=O)[O-])cc1	ZINC000833365343	612953429	/nfs/dbraw/zinc/95/34/29/612953429.db2.gz	GXIXVMRWFBQAQO-UHFFFAOYSA-N	-1	0	278.333	0.861	20	30		CCEDRM
CC1CC(C#N)(C(=O)OCCc2cn(CC(=O)[O-])nn2)C1	ZINC000828156974	604840525	/nfs/dbraw/zinc/84/05/25/604840525.db2.gz	WDABIHNNJZDCIT-UHFFFAOYSA-N	-1	0	292.295	0.388	20	30		CCEDRM
C#CC[C@@H](NC(=O)[C@@](C)(O)Cc1ccccc1)C(=O)[O-]	ZINC000910051538	613040961	/nfs/dbraw/zinc/04/09/61/613040961.db2.gz	XRYRLZCKZMNCLW-DOMZBBRYSA-N	-1	0	275.304	0.573	20	30		CCEDRM
C[C@H](CN(C)c1ccc(S(N)(=O)=O)cc1C#N)C(=O)[O-]	ZINC000833516177	605036118	/nfs/dbraw/zinc/03/61/18/605036118.db2.gz	GQOLKWMSNXGQEE-MRVPVSSYSA-N	-1	0	297.336	0.363	20	30		CCEDRM
C[C@H](C(=O)[O-])n1cccc1C=NN1C(=O)CNC1=O	ZINC000833406122	605040686	/nfs/dbraw/zinc/04/06/86/605040686.db2.gz	BRXXFXYJRSTEGT-SSDOTTSWSA-N	-1	0	264.241	0.019	20	30		CCEDRM
C[C@@H]1CN(C(=O)NCC(C)(C)C#N)C[C@@H]1C(=O)[O-]	ZINC000833622750	605121985	/nfs/dbraw/zinc/12/19/85/605121985.db2.gz	NZTWWZIRDMRJCK-BDAKNGLRSA-N	-1	0	253.302	0.898	20	30		CCEDRM
Cc1ccc(C#N)c(N2CCO[C@@H](CC(=O)[O-])C2)n1	ZINC000091294315	605158157	/nfs/dbraw/zinc/15/81/57/605158157.db2.gz	PDVBPTKKOQBFND-NSHDSACASA-N	-1	0	261.281	0.942	20	30		CCEDRM
CC1CC(C#N)(C(=O)O[C@@H]2CN(C(=O)[O-])CCC2=O)C1	ZINC000825783068	605198631	/nfs/dbraw/zinc/19/86/31/605198631.db2.gz	AVLHFSHWISMQDU-MDGUTJNFSA-N	-1	0	280.280	0.791	20	30		CCEDRM
N#CCCCCNC(=O)NC[C@@H]1CCN(C(=O)[O-])C1	ZINC000833967615	605382991	/nfs/dbraw/zinc/38/29/91/605382991.db2.gz	GAVPECRCPXXANT-JTQLQIEISA-N	-1	0	268.317	0.979	20	30		CCEDRM
C[C@H](CC#N)N(C)C(=O)CO[C@@H]1CCCN(C(=O)[O-])C1	ZINC000824545023	605388513	/nfs/dbraw/zinc/38/85/13/605388513.db2.gz	UKTXCHFZMXUKGK-GHMZBOCLSA-N	-1	0	283.328	0.906	20	30		CCEDRM
N#Cc1ccc(NCC(=O)N[C@@H]2CCN(C(=O)[O-])C2)nc1	ZINC000833975681	605402071	/nfs/dbraw/zinc/40/20/71/605402071.db2.gz	OOXXGCJMKVXZIL-SNVBAGLBSA-N	-1	0	289.295	0.234	20	30		CCEDRM
N#CCNC(=O)COC(=O)CC[C@@H]1CCCN1C(=O)[O-]	ZINC000833967307	605435554	/nfs/dbraw/zinc/43/55/54/605435554.db2.gz	PVGSSIGJIOJVEU-VIFPVBQESA-N	-1	0	283.284	0.092	20	30		CCEDRM
N#C[C@@H]1CN(C(=O)[O-])C[C@H]1NC[C@H](O)c1ccc(F)cc1	ZINC000833968691	605683603	/nfs/dbraw/zinc/68/36/03/605683603.db2.gz	XLKNBOFBTCTTJF-RTXFEEFZSA-N	-1	0	293.298	0.951	20	30		CCEDRM
Cc1onc(CC(=O)N[C@H](CNC(=O)[O-])C2CC2)c1C#N	ZINC000833936578	605693308	/nfs/dbraw/zinc/69/33/08/605693308.db2.gz	MVMPNXABRDRRCH-LLVKDONJSA-N	-1	0	292.295	0.560	20	30		CCEDRM
N#Cc1ccc(CC(=O)NCC2CN(C(=O)[O-])C2)cc1	ZINC000833972226	605750764	/nfs/dbraw/zinc/75/07/64/605750764.db2.gz	WGBBDPBOQXHXBM-UHFFFAOYSA-N	-1	0	273.292	0.827	20	30		CCEDRM
C=CCOCCNC(=O)N1CCO[C@H](CC(=O)[O-])C1	ZINC000311757211	605752912	/nfs/dbraw/zinc/75/29/12/605752912.db2.gz	UPWPGIMRUSFNMR-SNVBAGLBSA-N	-1	0	272.301	0.074	20	30		CCEDRM
C[C@H](CNC(=O)[C@H](O)c1ccc(C#N)cc1)C(=O)[O-]	ZINC000833517089	605755462	/nfs/dbraw/zinc/75/54/62/605755462.db2.gz	GJWGCSMTWNEUEK-LDYMZIIASA-N	-1	0	262.265	0.429	20	30		CCEDRM
N#Cc1ccc([C@H](O)C(=O)N[C@@H]2CCN(C(=O)[O-])C2)cc1	ZINC000833972873	605838257	/nfs/dbraw/zinc/83/82/57/605838257.db2.gz	IFBVWOJEEXXPSJ-NEPJUHHUSA-N	-1	0	289.291	0.460	20	30		CCEDRM
C[C@H](CCNC(=O)c1ccc(C#N)[nH]1)NC(=O)[O-]	ZINC000833803902	605860095	/nfs/dbraw/zinc/86/00/95/605860095.db2.gz	AHIRSGCYKVQLMG-SSDOTTSWSA-N	-1	0	250.258	0.662	20	30		CCEDRM
N#Cc1ccc(C(=O)NC[C@H](NC(=O)[O-])C2CC2)nc1	ZINC000833973166	605869534	/nfs/dbraw/zinc/86/95/34/605869534.db2.gz	LLGCDJUYJRHPIE-NSHDSACASA-N	-1	0	274.280	0.729	20	30		CCEDRM
N#C[C@@H]1CSCCN1C(=O)[C@@H]1CC[C@@H](NC(=O)[O-])C1	ZINC000833966311	605972701	/nfs/dbraw/zinc/97/27/01/605972701.db2.gz	KALJCLARFPNOST-OPRDCNLKSA-N	-1	0	283.353	0.890	20	30		CCEDRM
N#C[C@@H]1CSCCN1C(=O)C[C@H]1CN(C(=O)[O-])CCO1	ZINC000833966242	605975171	/nfs/dbraw/zinc/97/51/71/605975171.db2.gz	ISINJFQWOFVMRX-ZJUUUORDSA-N	-1	0	299.352	0.223	20	30		CCEDRM
N#CCCN(CCC#N)C(=O)c1cnc(NC(=O)[O-])cn1	ZINC000833965277	606024812	/nfs/dbraw/zinc/02/48/12/606024812.db2.gz	HCIIBTNQYWADHC-UHFFFAOYSA-N	-1	0	288.267	0.836	20	30		CCEDRM
Cn1ccnc(N=NC[C@@H]2CCCN(C(=O)[O-])C2)c1=O	ZINC000833952698	606053324	/nfs/dbraw/zinc/05/33/24/606053324.db2.gz	PACIDSXHESAREP-VIFPVBQESA-N	-1	0	279.300	0.568	20	30		CCEDRM
N#Cc1cc(C(=O)N[C@H]2CCCN(C(=O)[O-])C2)c[nH]1	ZINC000833969917	606089508	/nfs/dbraw/zinc/08/95/08/606089508.db2.gz	HIUPARBUQPXGGU-VIFPVBQESA-N	-1	0	262.269	0.759	20	30		CCEDRM
C#CCCS(=O)(=O)[N-]C(=O)CC[C@@H]1CC[C@@H](C)O1	ZINC000810781332	613052775	/nfs/dbraw/zinc/05/27/75/613052775.db2.gz	OQJXUBYEHDEYDQ-MNOVXSKESA-N	-1	0	273.354	0.803	20	30		CCEDRM
C#CCCS(=O)(=O)[N-]C(=O)C1(COCC)CC1	ZINC000810785481	613052776	/nfs/dbraw/zinc/05/27/76/613052776.db2.gz	IZFRVSBMHUNZJO-UHFFFAOYSA-N	-1	0	259.327	0.272	20	30		CCEDRM
C#CCC[C@@H](O)C[N-]S(=O)(=O)c1ncccc1[N+](=O)[O-]	ZINC000849390900	613059841	/nfs/dbraw/zinc/05/98/41/613059841.db2.gz	CRTPEXKBPQDDSZ-SECBINFHSA-N	-1	0	299.308	0.042	20	30		CCEDRM
C#C[C@@H](C)NS(=O)(=O)c1cnn(C)c1Br	ZINC000867199165	613082307	/nfs/dbraw/zinc/08/23/07/613082307.db2.gz	VSFCNLYFBRLGOM-ZCFIWIBFSA-N	-1	0	292.158	0.483	20	30		CCEDRM
C#CCN(CC#C)CC(=O)Nc1ccsc1C(=O)[O-]	ZINC000825608731	613099147	/nfs/dbraw/zinc/09/91/47/613099147.db2.gz	IEXAWRIWSCXRTF-UHFFFAOYSA-N	-1	0	276.317	0.953	20	30		CCEDRM
C#CCC(C)(C)C(=O)[N-]S(=O)(=O)c1cnn(C)c1C	ZINC000813952305	612965975	/nfs/dbraw/zinc/96/59/75/612965975.db2.gz	FTYOYWFMJQXMQO-UHFFFAOYSA-N	-1	0	283.353	0.583	20	30		CCEDRM
CC(C)(C)C1CCN(N=C2C(=O)[N-]C(=O)NC2=O)CC1	ZINC000814227863	613900194	/nfs/dbraw/zinc/90/01/94/613900194.db2.gz	OIFPKSQUDLRVIP-UHFFFAOYSA-N	-1	0	280.328	0.467	20	30		CCEDRM
CC(C)(C)SCC(=O)[N-]S(=O)(=O)CCC#N	ZINC000835412692	614019681	/nfs/dbraw/zinc/01/96/81/614019681.db2.gz	WNUOBHKZIRFCFV-UHFFFAOYSA-N	-1	0	264.372	0.878	20	30		CCEDRM
CC(C)(CNC(=O)C1(C#N)CCOCC1)NC(=O)[O-]	ZINC000823900203	614093203	/nfs/dbraw/zinc/09/32/03/614093203.db2.gz	DVEZTTVCEQBGLZ-UHFFFAOYSA-N	-1	0	269.301	0.469	20	30		CCEDRM
CC(C)CS(=O)(=O)[N-]C(=O)CC1(C#N)CCOCC1	ZINC000850804274	614177806	/nfs/dbraw/zinc/17/78/06/614177806.db2.gz	KJZDMRBBLPPCIL-UHFFFAOYSA-N	-1	0	288.369	0.799	20	30		CCEDRM
C#CCCCCNC(=O)N1C[C@@H](F)C[C@H]1C(=O)[O-]	ZINC000797723915	612977748	/nfs/dbraw/zinc/97/77/48/612977748.db2.gz	JTHSYSYTOACJJK-UWVGGRQHSA-N	-1	0	256.277	0.997	20	30		CCEDRM
COc1ccc(CN=Nc2nc[nH]n2)c(OCC(=O)[O-])c1	ZINC000807998156	617238614	/nfs/dbraw/zinc/23/86/14/617238614.db2.gz	SBWCIXMJUJNYRA-UHFFFAOYSA-N	-1	0	291.267	0.723	20	30		CCEDRM
COc1cccc(CCNC(=O)[C@@](C)(C#N)CC(=O)[O-])n1	ZINC000820865542	617296542	/nfs/dbraw/zinc/29/65/42/617296542.db2.gz	QJXYBODCEHOEFV-CQSZACIVSA-N	-1	0	291.307	0.753	20	30		CCEDRM
C#CCNC(=O)[C@H](C)OC(=O)C[C@H]1CCCN1C(=O)[O-]	ZINC000823457445	612950913	/nfs/dbraw/zinc/95/09/13/612950913.db2.gz	ZOLKHLJFAMWPGK-VHSXEESVSA-N	-1	0	282.296	0.200	20	30		CCEDRM
C#CCC(C)(C)C(=O)[N-]S(=O)(=O)CCOCCOC	ZINC000810636539	612965642	/nfs/dbraw/zinc/96/56/42/612965642.db2.gz	YFZZRDAOLMBGNZ-UHFFFAOYSA-N	-1	0	291.369	0.145	20	30		CCEDRM
C#CCC1(NS(=O)(=O)N=[S@@](C)(=O)CC)CCC1	ZINC000922045967	612971038	/nfs/dbraw/zinc/97/10/38/612971038.db2.gz	LFYOMVRHAJEXHI-INIZCTEOSA-N	-1	0	278.399	0.885	20	30		CCEDRM
C#CCCc1cc(=O)n(-c2nccc(N3CCOCC3)n2)[n-]1	ZINC000899351900	612974439	/nfs/dbraw/zinc/97/44/39/612974439.db2.gz	VGHMSGRKKWMNBQ-UHFFFAOYSA-N	-1	0	299.334	0.819	20	30		CCEDRM
C#CCCc1cc(=O)n(CCCN2CCOCC2)[n-]1	ZINC000899352982	612974467	/nfs/dbraw/zinc/97/44/67/612974467.db2.gz	RXASKENBSMMNAS-UHFFFAOYSA-N	-1	0	263.341	0.710	20	30		CCEDRM
C#CCCCn1cnc2c(cnn2CC(=O)[O-])c1=O	ZINC000833362313	612986212	/nfs/dbraw/zinc/98/62/12/612986212.db2.gz	LDBGPAPHYAQRHV-UHFFFAOYSA-N	-1	0	260.253	0.091	20	30		CCEDRM
C#CCO[N-]C(=O)COCc1ccc(OC)nc1	ZINC000862183890	612992177	/nfs/dbraw/zinc/99/21/77/612992177.db2.gz	PLTKYPJVMAFGSE-UHFFFAOYSA-N	-1	0	250.254	0.288	20	30		CCEDRM
C#CCO[N-]C(=O)[C@@H](C)NC(=O)c1[nH]nc2ccccc21	ZINC000812786358	612992311	/nfs/dbraw/zinc/99/23/11/612992311.db2.gz	HWPDVIZDKOQEFB-SECBINFHSA-N	-1	0	286.291	0.362	20	30		CCEDRM
C#CCO[N-]C(=O)[C@@H]1CCCN1S(=O)(=O)CCCC	ZINC000855603317	612992649	/nfs/dbraw/zinc/99/26/49/612992649.db2.gz	MDZAPPDDVIPAKL-NSHDSACASA-N	-1	0	288.369	0.262	20	30		CCEDRM
C#CCO[N-]C(=O)[C@H](C)NS(=O)(=O)c1ccc(C)cc1	ZINC000812781998	612993106	/nfs/dbraw/zinc/99/31/06/612993106.db2.gz	LOMNJONOMUIMRZ-NSHDSACASA-N	-1	0	296.348	0.343	20	30		CCEDRM
C#CCO[C@@H](C)C(=O)N1CCC[C@@H]2C[C@@]21C(=O)[O-]	ZINC000923149588	612994516	/nfs/dbraw/zinc/99/45/16/612994516.db2.gz	NOBYCZIGULNXAO-CWSCBRNRSA-N	-1	0	251.282	0.490	20	30		CCEDRM
C#CCO[C@@H](C)C(=O)NC[C@]1(C(=O)[O-])CCCOC1	ZINC000910306843	612996565	/nfs/dbraw/zinc/99/65/65/612996565.db2.gz	KFBGRIMDQKVSPD-GXFFZTMASA-N	-1	0	269.297	0.022	20	30		CCEDRM
C#CCO[C@@H](C)C(=O)N[C@@H](C(=O)[O-])c1ccccc1	ZINC000908907146	612997093	/nfs/dbraw/zinc/99/70/93/612997093.db2.gz	VWKISSVKNKWIMU-CMPLNLGQSA-N	-1	0	261.277	0.967	20	30		CCEDRM
C#CCO[C@H](C)C(=O)N(CCC(=O)[O-])Cc1cccnc1	ZINC000911272566	612998943	/nfs/dbraw/zinc/99/89/43/612998943.db2.gz	WRQRGTQPABSHSG-GFCCVEGCSA-N	-1	0	290.319	0.923	20	30		CCEDRM
C#CCO[C@H](C)C(=O)NCC1(CC(=O)[O-])CCOCC1	ZINC000910120133	613001123	/nfs/dbraw/zinc/00/11/23/613001123.db2.gz	MMMOMLYVZUXWCW-LLVKDONJSA-N	-1	0	283.324	0.412	20	30		CCEDRM
C#CCO[C@H](C)C(=O)N[C@@H](C[C@H]1CCCOC1)C(=O)[O-]	ZINC000910239457	613002485	/nfs/dbraw/zinc/00/24/85/613002485.db2.gz	DMSAPILSLMSTAY-UTUOFQBUSA-N	-1	0	283.324	0.411	20	30		CCEDRM
C#CCO[C@H](C)C(=O)N[C@]1(C(=O)[O-])C[C@@H](OCC)C1(C)C	ZINC000909599949	613003622	/nfs/dbraw/zinc/00/36/22/613003622.db2.gz	FETKCJJGYCHVCE-HFAKWTLXSA-N	-1	0	297.351	0.799	20	30		CCEDRM
C#CCOc1ccc(C(=O)N2C[C@H](O)C[C@H]2C(=O)[O-])cc1	ZINC000833366421	613005234	/nfs/dbraw/zinc/00/52/34/613005234.db2.gz	WJMABXASEGBJGM-YPMHNXCESA-N	-1	0	289.287	0.359	20	30		CCEDRM
C#CC[C@@H](CCOC)NS(=O)(=O)N=[S@](C)(=O)CC	ZINC000867568227	613023029	/nfs/dbraw/zinc/02/30/29/613023029.db2.gz	GAZDETZSGLWNTD-DYZYQPBXSA-N	-1	0	296.414	0.367	20	30		CCEDRM
C#CC[C@@H](NC(=O)c1cn(C(C)(C)C)nn1)C(=O)[O-]	ZINC000910051057	613042215	/nfs/dbraw/zinc/04/22/15/613042215.db2.gz	RHNRHTYSIFSWPZ-MRVPVSSYSA-N	-1	0	264.285	0.239	20	30		CCEDRM
C#CC[C@@H](NC(=O)c1cnc2n1[C@@H](C)CCC2)C(=O)[O-]	ZINC000910045403	613042240	/nfs/dbraw/zinc/04/22/40/613042240.db2.gz	CMKAGHHZJOPQGX-VHSXEESVSA-N	-1	0	275.308	0.987	20	30		CCEDRM
C#CC[C@@H](NC(=O)c1occ2c1CCOC2)C(=O)[O-]	ZINC000910048365	613042531	/nfs/dbraw/zinc/04/25/31/613042531.db2.gz	JVNZLZKWVUBZQG-SNVBAGLBSA-N	-1	0	263.249	0.559	20	30		CCEDRM
C#CC[C@@H]([N-]S(=O)(=O)Cc1ccccc1F)C(=O)OC	ZINC000841540263	613043035	/nfs/dbraw/zinc/04/30/35/613043035.db2.gz	KYHHKPWRLJBUDI-GFCCVEGCSA-N	-1	0	299.323	0.810	20	30		CCEDRM
C#CCCOC(=O)N1CCC[C@H](c2n[nH]c(=O)[n-]2)C1	ZINC000859162227	613048931	/nfs/dbraw/zinc/04/89/31/613048931.db2.gz	ZDLCUXGMRIJQJJ-VIFPVBQESA-N	-1	0	264.285	0.850	20	30		CCEDRM
C#CCCS(=O)(=O)[N-]C(=O)[C@H]1CCc2ccccc2O1	ZINC000842345231	613053366	/nfs/dbraw/zinc/05/33/66/613053366.db2.gz	DAKPMKQFJSNAKO-CYBMUJFWSA-N	-1	0	293.344	0.850	20	30		CCEDRM
C#CCCS(=O)(=O)[N-]C(=O)[C@H](C)c1ccco1	ZINC000810784121	613053389	/nfs/dbraw/zinc/05/33/89/613053389.db2.gz	SEPVHCYWKTZSQN-SECBINFHSA-N	-1	0	255.295	0.852	20	30		CCEDRM
C#CCCS(=O)(=O)[N-]C(=O)c1ccc([N+](=O)[O-])cc1C	ZINC000810786618	613053571	/nfs/dbraw/zinc/05/35/71/613053571.db2.gz	QDQHKBNEMVQQKJ-UHFFFAOYSA-N	-1	0	296.304	0.986	20	30		CCEDRM
C#CCCS(=O)(=O)[N-]C(=O)c1ocnc1C(F)F	ZINC000860722131	613053947	/nfs/dbraw/zinc/05/39/47/613053947.db2.gz	SCWOXWWMEGQMTA-UHFFFAOYSA-N	-1	0	278.236	0.695	20	30		CCEDRM
C#CC[C@H](NC(=O)C1(COC)CCCC1)C(=O)[O-]	ZINC000910050663	613067478	/nfs/dbraw/zinc/06/74/78/613067478.db2.gz	NAMWIBFYDJCRHE-JTQLQIEISA-N	-1	0	253.298	0.786	20	30		CCEDRM
C#CC[C@H](NC(=O)Cc1ccc([S@](C)=O)cc1)C(=O)[O-]	ZINC000910050009	613068333	/nfs/dbraw/zinc/06/83/33/613068333.db2.gz	BVUOHPYODXVAFB-YUNKPMOVSA-N	-1	0	293.344	0.559	20	30		CCEDRM
C#CC[C@H](NC(=O)[C@@H]1CCc2cnn(C)c2C1)C(=O)[O-]	ZINC000910050076	613068905	/nfs/dbraw/zinc/06/89/05/613068905.db2.gz	DZXZFORDAABASC-KOLCDFICSA-N	-1	0	275.308	0.118	20	30		CCEDRM
C#CCN(C(=O)c1c[nH]c2nc(=O)[n-]c(=O)c-2c1)C(C)C	ZINC000928627985	613070508	/nfs/dbraw/zinc/07/05/08/613070508.db2.gz	VLUVRCIBUCICLI-UHFFFAOYSA-N	-1	0	286.291	0.920	20	30		CCEDRM
C#CC[C@H](NC(=O)c1cnn2c1C[C@@H](C)CC2)C(=O)[O-]	ZINC000910045744	613070606	/nfs/dbraw/zinc/07/06/06/613070606.db2.gz	GFENHCGEHSDBRZ-ONGXEEELSA-N	-1	0	275.308	0.672	20	30		CCEDRM
C#CC[C@H](NC(=O)c1cnc(NCC)s1)C(=O)[O-]	ZINC000910050338	613070640	/nfs/dbraw/zinc/07/06/40/613070640.db2.gz	IGSLNAJMQOSBNW-ZETCQYMHSA-N	-1	0	267.310	0.781	20	30		CCEDRM
C#CC[C@H](NC(=O)c1occ2c1CCOC2)C(=O)[O-]	ZINC000910048364	613070835	/nfs/dbraw/zinc/07/08/35/613070835.db2.gz	JVNZLZKWVUBZQG-JTQLQIEISA-N	-1	0	263.249	0.559	20	30		CCEDRM
C#CCn1ccc(CN(CC)C(=O)[C@@H]2CC[C@@H]2C(=O)[O-])n1	ZINC000911718289	613078696	/nfs/dbraw/zinc/07/86/96/613078696.db2.gz	HPJGJLWBAYTIRO-OLZOCXBDSA-N	-1	0	289.335	0.976	20	30		CCEDRM
C#CCN(CC#C)C(=O)[C@H]1CCC[C@@H](NC(=O)[O-])C1	ZINC000823450558	613098751	/nfs/dbraw/zinc/09/87/51/613098751.db2.gz	DDRAQWFTPVTDPV-NWDGAFQWSA-N	-1	0	262.309	0.908	20	30		CCEDRM
C#C[C@@H](NC(=O)c1ccc(C(=O)[O-])cn1)[C@H]1CCCO1	ZINC000911580621	613098925	/nfs/dbraw/zinc/09/89/25/613098925.db2.gz	SPFXFXBXBWNWOK-ZYHUDNBSSA-N	-1	0	274.276	0.690	20	30		CCEDRM
C#CCN(CC#CC)C(=O)C[N@@H+]1CCC[C@@H](C(=O)[O-])C1	ZINC000908809239	613099580	/nfs/dbraw/zinc/09/95/80/613099580.db2.gz	KKIYGXBDTPQTDY-CYBMUJFWSA-N	-1	0	276.336	0.268	20	30		CCEDRM
C#CCN(CC(=O)[O-])S(=O)(=O)c1ccc2c(c1)OCO2	ZINC000849219303	613103498	/nfs/dbraw/zinc/10/34/98/613103498.db2.gz	PLXHVWAXNFBOAS-UHFFFAOYSA-N	-1	0	297.288	0.124	20	30		CCEDRM
C#CCN(CC(=O)OC(C)(C)C)C(=O)c1cc(=O)[nH][n-]1	ZINC000855493089	613104687	/nfs/dbraw/zinc/10/46/87/613104687.db2.gz	FZHKBDMYFZRGCZ-UHFFFAOYSA-N	-1	0	279.296	0.532	20	30		CCEDRM
C#CCN(CC)C(=O)NC[C@@H](NC(=O)[O-])C1CC1	ZINC000833787672	613105708	/nfs/dbraw/zinc/10/57/08/613105708.db2.gz	XMAPLMSUBXNBBR-SNVBAGLBSA-N	-1	0	253.302	0.697	20	30		CCEDRM
C#C[C@@H]1COCCN1C(=O)NC[C@@H](C(=O)[O-])C(C)C	ZINC000848592757	613109967	/nfs/dbraw/zinc/10/99/67/613109967.db2.gz	ZXSLCWIEPLWDRF-GHMZBOCLSA-N	-1	0	268.313	0.387	20	30		CCEDRM
C#C[C@H](C)NS(=O)(=O)c1nc[nH]c1Br	ZINC000867199196	613118985	/nfs/dbraw/zinc/11/89/85/613118985.db2.gz	WQIPJYLLUVNOIR-YFKPBYRVSA-N	-1	0	278.131	0.472	20	30		CCEDRM
C#C[C@H](NC(=O)CCCn1c(=O)[n-][nH]c1=O)C(C)C	ZINC000907966837	613133049	/nfs/dbraw/zinc/13/30/49/613133049.db2.gz	OWDXHDYIZQDVPD-VIFPVBQESA-N	-1	0	266.301	0.244	20	30		CCEDRM
COc1ccccc1C(=O)N[C@H]1CCCN(O)C1=O	ZINC000816757757	617313625	/nfs/dbraw/zinc/31/36/25/617313625.db2.gz	AOHUTSYHSDAMIP-JTQLQIEISA-N	-1	0	264.281	0.805	20	30		CCEDRM
C#C[C@H]1COCCN1C(=O)NCc1cccc(C(=O)[O-])c1	ZINC000840993176	613160891	/nfs/dbraw/zinc/16/08/91/613160891.db2.gz	MDSBFINCOWJUGG-ZDUSSCGKSA-N	-1	0	288.303	0.928	20	30		CCEDRM
C#CCN1CCN(C(=O)[C@H]2CC[C@@H](NC(=O)[O-])C2)CC1	ZINC000823451455	613207871	/nfs/dbraw/zinc/20/78/71/613207871.db2.gz	VVOSSVOXFWYBAF-NWDGAFQWSA-N	-1	0	279.340	0.200	20	30		CCEDRM
C#Cc1cncc(C(=O)N2CC(F)(F)C[C@H]2C(=O)[O-])c1	ZINC000910432981	613212060	/nfs/dbraw/zinc/21/20/60/613212060.db2.gz	ISMJHDOHEHYIGA-JTQLQIEISA-N	-1	0	280.230	0.997	20	30		CCEDRM
C#CCNC(=O)CN1CCC[C@H](C)[C@H]1CNC(=O)[O-]	ZINC000823456552	613329228	/nfs/dbraw/zinc/32/92/28/613329228.db2.gz	NOXIPFYMFUEFJI-WDEREUQCSA-N	-1	0	267.329	0.104	20	30		CCEDRM
C#CCNC(=O)CN1CCc2ccccc2[C@@H]1C(=O)[O-]	ZINC000043594188	613330326	/nfs/dbraw/zinc/33/03/26/613330326.db2.gz	YSGXZMKGQNFKAK-CQSZACIVSA-N	-1	0	272.304	0.420	20	30		CCEDRM
C=C(C)C[C@@H](NC(C)=O)C(=O)[N-]OCCOCC	ZINC000832389529	613356424	/nfs/dbraw/zinc/35/64/24/613356424.db2.gz	GARUPRDHHJIBKT-LLVKDONJSA-N	-1	0	258.318	0.542	20	30		CCEDRM
C=C(C)C[C@@H](NC(C)=O)C(=O)[N-]O[C@H](CO)C(C)C	ZINC000854827462	613356435	/nfs/dbraw/zinc/35/64/35/613356435.db2.gz	MARSWBODNDVQQH-VXGBXAGGSA-N	-1	0	272.345	0.522	20	30		CCEDRM
C=C(C)C[C@@H](NC(C)=O)C(=O)[N-]S(=O)(=O)CC1CC1	ZINC000850840493	613356487	/nfs/dbraw/zinc/35/64/87/613356487.db2.gz	VGNROHDRJMQSGZ-LLVKDONJSA-N	-1	0	288.369	0.313	20	30		CCEDRM
C=C(C)C[C@H](NC(C)=O)C(=O)[N-]S(=O)(=O)CC(F)F	ZINC000851363827	613359473	/nfs/dbraw/zinc/35/94/73/613359473.db2.gz	JSQYGWSQYLDQDQ-QMMMGPOBSA-N	-1	0	298.311	0.168	20	30		CCEDRM
C=C(C)C[C@H](NC(C)=O)C(=O)[N-]S(=O)(=O)CC(C)C	ZINC000850804128	613359503	/nfs/dbraw/zinc/35/95/03/613359503.db2.gz	FVXJZULZLLICKY-NSHDSACASA-N	-1	0	290.385	0.559	20	30		CCEDRM
C=C(C)[C@@H](CC(=O)N[C@@]1(C(=O)[O-])CCOC1)OCC	ZINC000833368033	613360144	/nfs/dbraw/zinc/36/01/44/613360144.db2.gz	ZKJRLBOEZAYNFK-MFKMUULPSA-N	-1	0	271.313	0.718	20	30		CCEDRM
C=C(C)[C@@H](CC(=O)N1CCO[C@H](C(=O)[O-])C1)OCC	ZINC000819706358	613360220	/nfs/dbraw/zinc/36/02/20/613360220.db2.gz	YOSAUWNBGWNZKE-MNOVXSKESA-N	-1	0	271.313	0.670	20	30		CCEDRM
C=C(Cl)C[C@@H](NC(=O)CNC(=O)CCC)C(=O)[O-]	ZINC000864185641	613388421	/nfs/dbraw/zinc/38/84/21/613388421.db2.gz	YGKYQGCKGKUDOS-MRVPVSSYSA-N	-1	0	276.720	0.615	20	30		CCEDRM
C=C(Cl)C[C@@H](NC(=O)N[C@@H]1CCOC1)C(=O)[O-]	ZINC000864525546	613388606	/nfs/dbraw/zinc/38/86/06/613388606.db2.gz	DPWKCYXJCALAPU-HTQZYQBOSA-N	-1	0	262.693	0.670	20	30		CCEDRM
C=C(Cl)C[C@@H](NC(=O)NCCOCC)C(=O)[O-]	ZINC000864522773	613388620	/nfs/dbraw/zinc/38/86/20/613388620.db2.gz	NHXFXCZGFOWRSC-MRVPVSSYSA-N	-1	0	264.709	0.918	20	30		CCEDRM
C=C(Cl)C[C@H](NC(=O)Cc1ccon1)C(=O)[O-]	ZINC000864183579	613390691	/nfs/dbraw/zinc/39/06/91/613390691.db2.gz	LBDNKNHAHNQZAL-QMMMGPOBSA-N	-1	0	258.661	0.929	20	30		CCEDRM
C=C(Cl)C[C@H](NC(=O)CS(=O)(=O)CCC)C(=O)[O-]	ZINC000864185547	613390695	/nfs/dbraw/zinc/39/06/95/613390695.db2.gz	WRTKJNYXKLAJIS-QMMMGPOBSA-N	-1	0	297.760	0.523	20	30		CCEDRM
C=C(Cl)C[C@H](NS(=O)(=O)[C@@H]1CCOC1)C(=O)[O-]	ZINC000863419484	613390870	/nfs/dbraw/zinc/39/08/70/613390870.db2.gz	AWQAIJNFOPZUGI-SFYZADRCSA-N	-1	0	283.733	0.291	20	30		CCEDRM
C=CC[C@H](NS(=O)(=O)CC[C@H]1CCOC1)C(=O)[O-]	ZINC000830081401	613419529	/nfs/dbraw/zinc/41/95/29/613419529.db2.gz	OROMAGIEFGPZQY-ZJUUUORDSA-N	-1	0	277.342	0.362	20	30		CCEDRM
C=CCn1cc(C(=O)N2CC[C@@H](C(=O)[O-])[C@@H](C)C2)nn1	ZINC000844155071	613426143	/nfs/dbraw/zinc/42/61/43/613426143.db2.gz	HJUFJUGZMNVSLX-VHSXEESVSA-N	-1	0	278.312	0.647	20	30		CCEDRM
C=C[C@@H](C)O[N-]C(=O)C(=O)Nc1cc(C2CC2)n(C)n1	ZINC000846157466	613443343	/nfs/dbraw/zinc/44/33/43/613443343.db2.gz	UXJFIROCYQXMCP-MRVPVSSYSA-N	-1	0	278.312	0.858	20	30		CCEDRM
C=CC(C)(C)C(=O)[N-]S(=O)(=O)C(COC)COC	ZINC000851502201	613444124	/nfs/dbraw/zinc/44/41/24/613444124.db2.gz	DIOVISPPDQWYET-UHFFFAOYSA-N	-1	0	279.358	0.306	20	30		CCEDRM
C=CC(C)(C)C(=O)[N-]S(=O)(=O)[C@H](C)C(=O)OC	ZINC000835294455	613444594	/nfs/dbraw/zinc/44/45/94/613444594.db2.gz	CNAWZWZBZOUUFK-SSDOTTSWSA-N	-1	0	263.315	0.206	20	30		CCEDRM
C=C[C@@H](C)O[N-]C(=O)[C@@H](CO)NC(=O)OC(C)(C)C	ZINC000824033149	613447235	/nfs/dbraw/zinc/44/72/35/613447235.db2.gz	DHRGCFQEYOOLOY-RKDXNWHRSA-N	-1	0	274.317	0.494	20	30		CCEDRM
C=C[C@@H](C)ONC(=O)c1ccc([N-]S(C)(=O)=O)nc1	ZINC000862132690	613447557	/nfs/dbraw/zinc/44/75/57/613447557.db2.gz	JQXGEUNOQBQGLH-MRVPVSSYSA-N	-1	0	285.325	0.689	20	30		CCEDRM
C=CC(C)(C)CCNC(=O)C(=O)[N-]OC1CCOCC1	ZINC000875483585	613447526	/nfs/dbraw/zinc/44/75/26/613447526.db2.gz	ADLYQEZLLVCUHH-UHFFFAOYSA-N	-1	0	284.356	0.932	20	30		CCEDRM
C=CC1(S(=O)(=O)[N-]C(=O)CNC(=O)C(C)(C)C)CC1	ZINC000870832060	613450358	/nfs/dbraw/zinc/45/03/58/613450358.db2.gz	RGDFZQQJLISCBM-UHFFFAOYSA-N	-1	0	288.369	0.313	20	30		CCEDRM
C=CC1(S(=O)(=O)[N-]C(=O)[C@@H](C)c2cnn(C)c2)CC1	ZINC000870835035	613450783	/nfs/dbraw/zinc/45/07/83/613450783.db2.gz	YZYOSVUSEWWURE-VIFPVBQESA-N	-1	0	283.353	0.688	20	30		CCEDRM
C=CC1(S(=O)(=O)[N-]C(=O)[C@@H](C)CC(=O)OC)CC1	ZINC000870834419	613450837	/nfs/dbraw/zinc/45/08/37/613450837.db2.gz	ZESZQJONZATMNC-QMMMGPOBSA-N	-1	0	275.326	0.350	20	30		CCEDRM
C=CC1(S(=O)(=O)[N-]C(=O)[C@H]2CCc3n[nH]cc3C2)CC1	ZINC000870837057	613452016	/nfs/dbraw/zinc/45/20/16/613452016.db2.gz	WSLSPOUVWWIPQW-VIFPVBQESA-N	-1	0	295.364	0.679	20	30		CCEDRM
C=C[C@@H](O)C(=O)[N-]OC[C@@H](C)NC(=O)OC(C)(C)C	ZINC000935161702	613452242	/nfs/dbraw/zinc/45/22/42/613452242.db2.gz	WQYQQMALAHGIOV-RKDXNWHRSA-N	-1	0	274.317	0.494	20	30		CCEDRM
C=CC1(S(=O)(=O)[N-]C(=O)c2cn(C)nc2COC)CC1	ZINC000870837510	613452274	/nfs/dbraw/zinc/45/22/74/613452274.db2.gz	OVQNAPJIYDFHEC-UHFFFAOYSA-N	-1	0	299.352	0.345	20	30		CCEDRM
C=CC1CCN(C(=O)[C@@H]2CN(C(=O)[O-])CCO2)CC1	ZINC000823491617	613452353	/nfs/dbraw/zinc/45/23/53/613452353.db2.gz	YOQHUZRFZLSBCQ-NSHDSACASA-N	-1	0	268.313	0.790	20	30		CCEDRM
CC(=O)N1CC[C@@H](CN(C)C(=O)[C@@](C)(C#N)CC(=O)[O-])C1	ZINC000819731014	613452458	/nfs/dbraw/zinc/45/24/58/613452458.db2.gz	CVVQIZQEXSVWFJ-SMDDNHRTSA-N	-1	0	295.339	0.318	20	30		CCEDRM
C=CCC1(C(=O)[O-])CN(S(=O)(=O)c2cnn(CC)c2)C1	ZINC000906007085	613457149	/nfs/dbraw/zinc/45/71/49/613457149.db2.gz	UOJMXDFCKLRTJZ-UHFFFAOYSA-N	-1	0	299.352	0.554	20	30		CCEDRM
C=CCC1(S(=O)(=O)[N-]C(=O)C2(C)COC2)CC1	ZINC000810980442	613460700	/nfs/dbraw/zinc/46/07/00/613460700.db2.gz	YAJCESIATMUQEZ-UHFFFAOYSA-N	-1	0	259.327	0.578	20	30		CCEDRM
C=CCC1(S(=O)(=O)[N-]C(=O)COCC(F)F)CC1	ZINC000860773799	613460754	/nfs/dbraw/zinc/46/07/54/613460754.db2.gz	QMADGMFDJXOOMD-UHFFFAOYSA-N	-1	0	283.296	0.823	20	30		CCEDRM
C=CCCC(=O)O[C@H](C)c1cn(CC(=O)[O-])nn1	ZINC000825664839	613463099	/nfs/dbraw/zinc/46/30/99/613463099.db2.gz	NKRBQIXYIMJHIQ-MRVPVSSYSA-N	-1	0	253.258	0.933	20	30		CCEDRM
C=CCCCC(=O)[N-]S(=O)(=O)c1cnc(OC)nc1	ZINC000893775618	613464714	/nfs/dbraw/zinc/46/47/14/613464714.db2.gz	GNIAMDILJFIYGD-UHFFFAOYSA-N	-1	0	285.325	0.646	20	30		CCEDRM
C=CCCCNC(=O)C(=O)NC[C@H](CC)C(=O)[O-]	ZINC000927940933	613467771	/nfs/dbraw/zinc/46/77/71/613467771.db2.gz	APRRMLOPRCJDMJ-VIFPVBQESA-N	-1	0	256.302	0.296	20	30		CCEDRM
C=C[C@@H]1OCC[C@H]1CNC(=O)N1CCOC[C@@H]1C(=O)[O-]	ZINC000909238488	613468981	/nfs/dbraw/zinc/46/89/81/613468981.db2.gz	OYSDVJPYYJHHCA-AXFHLTTASA-N	-1	0	284.312	0.073	20	30		CCEDRM
C=CCCC[C@@H](NC(=O)Cc1cn(CC)nn1)C(=O)[O-]	ZINC000907781962	613470503	/nfs/dbraw/zinc/47/05/03/613470503.db2.gz	UMLNRRTUCLLNQM-LLVKDONJSA-N	-1	0	280.328	0.766	20	30		CCEDRM
C=CCCC[C@H](NC(=O)c1nnn(C)c1C)C(=O)[O-]	ZINC000910918064	613474803	/nfs/dbraw/zinc/47/48/03/613474803.db2.gz	WXDDJRNDZRLGIQ-VIFPVBQESA-N	-1	0	266.301	0.663	20	30		CCEDRM
C=C[C@H](C)NS(=O)(=O)c1ccc(C(=O)[O-])nc1	ZINC000833372019	613483411	/nfs/dbraw/zinc/48/34/11/613483411.db2.gz	ZQUWLVPTENJSNA-ZETCQYMHSA-N	-1	0	256.283	0.633	20	30		CCEDRM
C=C[C@H](C)O[N-]C(=O)C(=O)Nc1ccc(C)[nH]c1=O	ZINC000846153850	613483729	/nfs/dbraw/zinc/48/37/29/613483729.db2.gz	LWNOLCVMADUYAY-QMMMGPOBSA-N	-1	0	265.269	0.656	20	30		CCEDRM
C=C[C@H](O)C(=O)N[C@@H](C(=O)[O-])c1ccc2c(c1)CCO2	ZINC000909795009	613496437	/nfs/dbraw/zinc/49/64/37/613496437.db2.gz	SSSWOGAFKHFYHT-CMPLNLGQSA-N	-1	0	277.276	0.410	20	30		CCEDRM
CC#CCCNC(=O)N(C)[C@H](COC(C)C)C(=O)[O-]	ZINC000909032652	613521539	/nfs/dbraw/zinc/52/15/39/613521539.db2.gz	YHOHEFYWULWNBB-LLVKDONJSA-N	-1	0	270.329	0.919	20	30		CCEDRM
C=CCCO[N-]C(=O)CN(C)Cc1nnc(C)n1C	ZINC000856031480	613576178	/nfs/dbraw/zinc/57/61/78/613576178.db2.gz	QPIVQBXGQHUPJL-UHFFFAOYSA-N	-1	0	267.333	0.179	20	30		CCEDRM
C=CCCO[C@@H](C)C(=O)N1CCC([C@@H](O)C(=O)[O-])CC1	ZINC000833373885	613577858	/nfs/dbraw/zinc/57/78/58/613577858.db2.gz	HYMYVARJQQOBSJ-CMPLNLGQSA-N	-1	0	285.340	0.652	20	30		CCEDRM
C=CCCO[C@H](C)C(=O)N1CC[N@H+](CCC(=O)[O-])C[C@H]1C	ZINC000833373901	613579025	/nfs/dbraw/zinc/57/90/25/613579025.db2.gz	ILLRPZZIFMUZBC-CHWSQXEVSA-N	-1	0	298.383	0.975	20	30		CCEDRM
C=CCCO[C@H](C)C(=O)N1CCN(C(=O)[O-])C[C@@H]1C#N	ZINC000823496523	613579140	/nfs/dbraw/zinc/57/91/40/613579140.db2.gz	KRITYVTWEZTWGS-MNOVXSKESA-N	-1	0	281.312	0.682	20	30		CCEDRM
C=CCCS(=O)(=O)N1Cc2cc(C(=O)[O-])nn2C[C@@H]1C	ZINC000903880071	613581282	/nfs/dbraw/zinc/58/12/82/613581282.db2.gz	NRKTXCYRDZYOOW-VIFPVBQESA-N	-1	0	299.352	0.691	20	30		CCEDRM
C=CCCS(=O)(=O)N[C@H]1CCC[C@@H]1CNC(=O)[O-]	ZINC000823501021	613582081	/nfs/dbraw/zinc/58/20/81/613582081.db2.gz	PSMOAXGNCCTDLS-ZJUUUORDSA-N	-1	0	276.358	0.918	20	30		CCEDRM
C=CCC[C@@H](NC(=O)[C@@H]1CCn2ccnc2C1)C(=O)[O-]	ZINC000909713519	613584883	/nfs/dbraw/zinc/58/48/83/613584883.db2.gz	FTWGMMKJWMSODR-GHMZBOCLSA-N	-1	0	277.324	0.981	20	30		CCEDRM
C=CCC[C@@H](NC(=O)[C@@H]1CN(CC)CCO1)C(=O)[O-]	ZINC000909714499	613585058	/nfs/dbraw/zinc/58/50/58/613585058.db2.gz	YAYSMQAEYRSKJM-MNOVXSKESA-N	-1	0	270.329	0.243	20	30		CCEDRM
C=CCC[C@@H](NS(=O)(=O)N(C)C[C@@H](C)C#N)C(=O)[O-]	ZINC000844785758	613585632	/nfs/dbraw/zinc/58/56/32/613585632.db2.gz	MRUIASDHDREULM-VHSXEESVSA-N	-1	0	289.357	0.332	20	30		CCEDRM
C=CCC[C@H](NC(=O)c1cnn2c1OCCC2)C(=O)[O-]	ZINC000909711743	613590295	/nfs/dbraw/zinc/59/02/95/613590295.db2.gz	FPTYLOHLHQXYGH-JTQLQIEISA-N	-1	0	279.296	0.815	20	30		CCEDRM
C=CCCn1cc(C(=O)N[C@@H](CC(=O)[O-])C2CC2)nn1	ZINC000819924253	613594876	/nfs/dbraw/zinc/59/48/76/613594876.db2.gz	JNLKQXXJHKNYDB-JTQLQIEISA-N	-1	0	278.312	0.837	20	30		CCEDRM
C=CCN(C(=O)C(=O)N1CC[C@@H](C)[C@@H](C(=O)[O-])C1)C(C)C	ZINC000843055174	613601597	/nfs/dbraw/zinc/60/15/97/613601597.db2.gz	FXVCVFOLPYZUFH-NEPJUHHUSA-N	-1	0	296.367	0.979	20	30		CCEDRM
C=CCN(CC(=O)[O-])C(=O)NCCCc1nc(C)no1	ZINC000797717944	613642558	/nfs/dbraw/zinc/64/25/58/613642558.db2.gz	JWRIXSCWQALPKL-UHFFFAOYSA-N	-1	0	282.300	0.593	20	30		CCEDRM
C=CCN(CC(=O)[O-])C(=O)NCc1ccnc(N(C)C)n1	ZINC000909135505	613642783	/nfs/dbraw/zinc/64/27/83/613642783.db2.gz	BKFHIGBBAZJLBT-UHFFFAOYSA-N	-1	0	293.327	0.325	20	30		CCEDRM
C=CCN(CC(=O)[O-])C(=O)[C@@H](OCC)[C@@H]1CCOC1	ZINC000864134658	613643293	/nfs/dbraw/zinc/64/32/93/613643293.db2.gz	ABPAFSUQCOLCQV-PWSUYJOCSA-N	-1	0	271.313	0.527	20	30		CCEDRM
C=CCN(CC(=O)[O-])C(=O)[C@@H]1CCc2cncn2C1	ZINC000909514906	613643345	/nfs/dbraw/zinc/64/33/45/613643345.db2.gz	DCTIEVNJLHPKFO-SNVBAGLBSA-N	-1	0	263.297	0.545	20	30		CCEDRM
C=CCN(CC(=O)[O-])C(=O)c1cnc(OCC2CC2)cn1	ZINC000909515514	613643644	/nfs/dbraw/zinc/64/36/44/613643644.db2.gz	WCYGRISOVKURSM-UHFFFAOYSA-N	-1	0	291.307	0.978	20	30		CCEDRM
CC#CCS(=O)(=O)[N-]C(=O)CC(C)(C)CC(C)=O	ZINC000810773908	613645934	/nfs/dbraw/zinc/64/59/34/613645934.db2.gz	IOUFUCCETUPOJA-UHFFFAOYSA-N	-1	0	273.354	0.851	20	30		CCEDRM
C=CCN(CC(F)(F)F)C(=O)[C@@H]1CN(C(=O)[O-])CCO1	ZINC000823500588	613646095	/nfs/dbraw/zinc/64/60/95/613646095.db2.gz	HPOXCMSYKPXFGG-QMMMGPOBSA-N	-1	0	296.245	0.942	20	30		CCEDRM
CC#CCS(=O)(=O)[N-]C(=O)C[C@@H](OCC)C(C)C	ZINC000810770843	613646119	/nfs/dbraw/zinc/64/61/19/613646119.db2.gz	BXCLLTCTWJLYSI-LLVKDONJSA-N	-1	0	275.370	0.907	20	30		CCEDRM
CC#CCS(=O)(=O)[N-]C(=O)[C@@H]1CCC(=O)C[C@H]1C	ZINC000798202607	613646836	/nfs/dbraw/zinc/64/68/36/613646836.db2.gz	IDUQAZXHXLRFKJ-MWLCHTKSSA-N	-1	0	271.338	0.461	20	30		CCEDRM
CC#CCS(=O)(=O)[N-]C(=O)[C@H](C)c1c(C)nn(C)c1C	ZINC000810774321	613647088	/nfs/dbraw/zinc/64/70/88/613647088.db2.gz	HGVSHQCPBNLMPY-SECBINFHSA-N	-1	0	297.380	0.610	20	30		CCEDRM
CC#CCS(=O)(=O)[N-]C(=O)c1cccc(CC)n1	ZINC000835371810	613647790	/nfs/dbraw/zinc/64/77/90/613647790.db2.gz	NRIZJSFXJCGCRJ-UHFFFAOYSA-N	-1	0	266.322	0.727	20	30		CCEDRM
CC#CCS(=O)(=O)[N-]C(=O)c1cnn(CC(C)C)c1	ZINC000791110982	613648012	/nfs/dbraw/zinc/64/80/12/613648012.db2.gz	JNBQQDRULPLMBR-UHFFFAOYSA-N	-1	0	283.353	0.622	20	30		CCEDRM
CC(=NNC(=S)N(C)C)c1cncc(C(=O)[O-])c1	ZINC000884429244	613653065	/nfs/dbraw/zinc/65/30/65/613653065.db2.gz	BQLSQNAFLQZHBO-UHFFFAOYSA-N	-1	0	266.326	0.940	20	30		CCEDRM
CC(=NNCC(=O)[O-])c1ccc(C(=O)N(C)C)cc1	ZINC000814957112	613654411	/nfs/dbraw/zinc/65/44/11/613654411.db2.gz	UYHYYSUHNAZABD-UHFFFAOYSA-N	-1	0	263.297	0.787	20	30		CCEDRM
CC(=NO[C@H]1CCCCO1)c1cn(CC(=O)[O-])nn1	ZINC000833386912	613657617	/nfs/dbraw/zinc/65/76/17/613657617.db2.gz	BWTMGUWLZJPXTL-NSHDSACASA-N	-1	0	268.273	0.630	20	30		CCEDRM
C=CCNC(=O)COC(=O)[C@@H]1CCC[C@@H](C(=O)[O-])C1	ZINC000825687477	613848130	/nfs/dbraw/zinc/84/81/30/613848130.db2.gz	LOTKCRRNKXUNIU-NXEZZACHSA-N	-1	0	269.297	0.723	20	30		CCEDRM
C=CCNC(=O)N1C[C@H](C(=O)[O-])C[C@H](c2cnn(C)c2)C1	ZINC000864345479	613849296	/nfs/dbraw/zinc/84/92/96/613849296.db2.gz	XYBISBVTPGYBIR-WDEREUQCSA-N	-1	0	292.339	0.806	20	30		CCEDRM
C=CCNC(=O)N1C[C@@H](c2cnn(C)c2)C[C@H](C(=O)[O-])C1	ZINC000864345478	613849439	/nfs/dbraw/zinc/84/94/39/613849439.db2.gz	XYBISBVTPGYBIR-QWRGUYRKSA-N	-1	0	292.339	0.806	20	30		CCEDRM
C=CCNC(=O)C(C#N)=C([O-])c1ncn(C(C)(C)C)n1	ZINC000813060068	613852945	/nfs/dbraw/zinc/85/29/45/613852945.db2.gz	ORZLAIAHOYSGBB-VIFPVBQESA-N	-1	0	275.312	0.658	20	30		CCEDRM
C=CCNC(=O)C(C#N)=C([O-])c1cc(C)c(C(=O)OC)o1	ZINC000860471202	613855009	/nfs/dbraw/zinc/85/50/09/613855009.db2.gz	DCQWSERLVDVJHZ-SECBINFHSA-N	-1	0	290.275	0.999	20	30		CCEDRM
C=CCNC(=O)[C@H](C)OC(=O)[C@H](C)CN(C)C(=O)[O-]	ZINC000823506041	613855637	/nfs/dbraw/zinc/85/56/37/613855637.db2.gz	BDLOFIMOTNLMPZ-BDAKNGLRSA-N	-1	0	272.301	0.466	20	30		CCEDRM
C=CCOCCCC(=O)N1C[C@@H](F)C[C@H]1C(=O)[O-]	ZINC000910447060	613879586	/nfs/dbraw/zinc/87/95/86/613879586.db2.gz	SYJIJAZLXGXFIW-UWVGGRQHSA-N	-1	0	259.277	0.993	20	30		CCEDRM
C=CCOCCCC(=O)N1CCC[C@@H](O)[C@@H]1C(=O)[O-]	ZINC000911637959	613879608	/nfs/dbraw/zinc/87/96/08/613879608.db2.gz	KOGUZRSVTQHUPQ-ZYHUDNBSSA-N	-1	0	271.313	0.406	20	30		CCEDRM
C=CCOCCCC(=O)N1CCN(C(=O)[O-])C[C@H]1C#N	ZINC000823516323	613879692	/nfs/dbraw/zinc/87/96/92/613879692.db2.gz	GMMBHNYZGGKLAS-LLVKDONJSA-N	-1	0	281.312	0.684	20	30		CCEDRM
C=CCOCCNC(=O)N1CCC([C@H](O)C(=O)[O-])CC1	ZINC000833375970	613880655	/nfs/dbraw/zinc/88/06/55/613880655.db2.gz	PRUULBASSZHESC-NSHDSACASA-N	-1	0	286.328	0.056	20	30		CCEDRM
C=CCOC[C@@H](NC(=O)C1(C2CC2)CC1)C(=O)[O-]	ZINC000909766342	613881556	/nfs/dbraw/zinc/88/15/56/613881556.db2.gz	HCVSNEWNSSGGAE-SNVBAGLBSA-N	-1	0	253.298	0.949	20	30		CCEDRM
C=CCOC[C@@H](NC(=O)CCCn1cccn1)C(=O)[O-]	ZINC000909769648	613881565	/nfs/dbraw/zinc/88/15/65/613881565.db2.gz	FEHYPPLKQABOBI-LLVKDONJSA-N	-1	0	281.312	0.435	20	30		CCEDRM
C=CCOC[C@@H](NC(=O)[C@@H]1CCCS1)C(=O)[O-]	ZINC000909770330	613881767	/nfs/dbraw/zinc/88/17/67/613881767.db2.gz	FKTOIQSBQRYLRX-BDAKNGLRSA-N	-1	0	259.327	0.654	20	30		CCEDRM
C=CCOC[C@H](NC(=O)N[C@@H]1CCS[C@H]1C)C(=O)[O-]	ZINC000909247494	613882405	/nfs/dbraw/zinc/88/24/05/613882405.db2.gz	JUANSVQODIMONC-AEJSXWLSSA-N	-1	0	288.369	0.835	20	30		CCEDRM
C=CCOC[C@H](NC(=O)N[C@H]1CCS[C@H]1C)C(=O)[O-]	ZINC000909247501	613882468	/nfs/dbraw/zinc/88/24/68/613882468.db2.gz	JUANSVQODIMONC-GUBZILKMSA-N	-1	0	288.369	0.835	20	30		CCEDRM
C=CCOC[C@H](NC(=O)[C@@H]1CCCS1)C(=O)[O-]	ZINC000909770332	613882507	/nfs/dbraw/zinc/88/25/07/613882507.db2.gz	FKTOIQSBQRYLRX-IUCAKERBSA-N	-1	0	259.327	0.654	20	30		CCEDRM
C=CCOC[C@H](NC(=O)c1cc(C)co1)C(=O)[O-]	ZINC000909766626	613882655	/nfs/dbraw/zinc/88/26/55/613882655.db2.gz	JFTNZYKEYKIEBO-VIFPVBQESA-N	-1	0	253.254	0.974	20	30		CCEDRM
C=CCOC[C@H](NC(=O)c1cccc(OC)n1)C(=O)[O-]	ZINC000836751795	613882662	/nfs/dbraw/zinc/88/26/62/613882662.db2.gz	UWRAOWMJPXOXMV-JTQLQIEISA-N	-1	0	280.280	0.476	20	30		CCEDRM
C=CCOC[C@H](NC(=O)[C@H]1CCn2ccnc2C1)C(=O)[O-]	ZINC000909771555	613882690	/nfs/dbraw/zinc/88/26/90/613882690.db2.gz	NXVGPPSUBOLJIR-QWRGUYRKSA-N	-1	0	293.323	0.218	20	30		CCEDRM
C=CCO[N-]C(=O)[C@H]1CC(c2cn(C)nc2C)=NO1	ZINC000821891787	613884537	/nfs/dbraw/zinc/88/45/37/613884537.db2.gz	PMJDWSROYRIOLB-LLVKDONJSA-N	-1	0	264.285	0.455	20	30		CCEDRM
C=CCO[N-]C(=O)[C@](C)(OC)C(=O)OC(C)(C)C	ZINC000854853056	613884553	/nfs/dbraw/zinc/88/45/53/613884553.db2.gz	VJRYZFRTLMQGOB-LBPRGKRZSA-N	-1	0	259.302	0.967	20	30		CCEDRM
C=CCOc1ccc(CNC(=O)c2cc(=O)[nH][n-]2)cc1	ZINC000804140406	613884695	/nfs/dbraw/zinc/88/46/95/613884695.db2.gz	HVVSQNRYCWKPIW-UHFFFAOYSA-N	-1	0	273.292	0.744	20	30		CCEDRM
C=CCS(=O)(=O)[N-]C(=O)Cn1cc(C2CC2)cn1	ZINC000850913648	613886229	/nfs/dbraw/zinc/88/62/29/613886229.db2.gz	UBLBJPMJPIDMSP-UHFFFAOYSA-N	-1	0	269.326	0.393	20	30		CCEDRM
C=CCS(=O)(=O)[N-]C(=O)c1c[nH]c(C(=O)OC)c1	ZINC000815997879	613886311	/nfs/dbraw/zinc/88/63/11/613886311.db2.gz	ZMJJQKGLHZXOEI-UHFFFAOYSA-N	-1	0	272.282	0.047	20	30		CCEDRM
CC(C)NC(=O)C(C#N)=C([O-])c1ncn(C(C)(C)C)n1	ZINC000813060395	613930623	/nfs/dbraw/zinc/93/06/23/613930623.db2.gz	YGXVGGKAROIOJS-VIFPVBQESA-N	-1	0	277.328	0.880	20	30		CCEDRM
CC(C)OCCCNC(=O)C(C#N)=C([O-])c1ncn(C)n1	ZINC000810527350	614012748	/nfs/dbraw/zinc/01/27/48/614012748.db2.gz	KPUHWEHIIYVDJJ-JTQLQIEISA-N	-1	0	293.327	0.069	20	30		CCEDRM
CC(C)(C)[C@H](C#N)NC(=O)[C@H]1CN(C(=O)[O-])CCO1	ZINC000823754278	614032778	/nfs/dbraw/zinc/03/27/78/614032778.db2.gz	GJNULCYZFWRWLM-BDAKNGLRSA-N	-1	0	269.301	0.420	20	30		CCEDRM
CC(C)(C)c1nnc(Cn2c(=O)[n-]cc(C#N)c2=O)o1	ZINC000842615578	614056920	/nfs/dbraw/zinc/05/69/20/614056920.db2.gz	NVIBUWQSMSYTHR-UHFFFAOYSA-N	-1	0	275.268	0.137	20	30		CCEDRM
CC(C)S(=O)(=O)NN=Cc1cccn1[C@H](C)C(=O)[O-]	ZINC000833408039	614069475	/nfs/dbraw/zinc/06/94/75/614069475.db2.gz	VPNKNBGWIQMJNG-SECBINFHSA-N	-1	0	287.341	0.795	20	30		CCEDRM
CC(C)[C@@H](CO)O[N-]C(=O)[C@@H](O)c1ccc(C#N)cc1	ZINC000836891846	614104546	/nfs/dbraw/zinc/10/45/46/614104546.db2.gz	OYLDMIFYEMFHQK-OLZOCXBDSA-N	-1	0	278.308	0.656	20	30		CCEDRM
CC(C)(CO)O[N-]C(=O)CNc1ccc(C#N)cc1	ZINC000836803649	614122933	/nfs/dbraw/zinc/12/29/33/614122933.db2.gz	KUJVORIPBRLCMA-UHFFFAOYSA-N	-1	0	263.297	0.789	20	30		CCEDRM
CC(C)[C@@](C)(C#N)NC(=O)COC(=O)c1cn[nH]n1	ZINC000805605079	614181047	/nfs/dbraw/zinc/18/10/47/614181047.db2.gz	ISONBKHNPDRRQD-LLVKDONJSA-N	-1	0	265.273	0.016	20	30		CCEDRM
CC(C)[C@H](CNC(=O)Nc1nn(C)cc1C#N)NC(=O)[O-]	ZINC000824121909	614209577	/nfs/dbraw/zinc/20/95/77/614209577.db2.gz	AZDVJYPEEKBDAA-VIFPVBQESA-N	-1	0	294.315	0.705	20	30		CCEDRM
CC(C)[C@H](CO)O[N-]C(=O)[C@H](O)c1ccc(C#N)cc1	ZINC000836891851	614214455	/nfs/dbraw/zinc/21/44/55/614214455.db2.gz	OYLDMIFYEMFHQK-QWHCGFSZSA-N	-1	0	278.308	0.656	20	30		CCEDRM
CC(C)[C@](C)(C#N)NC(=O)CN(C)[C@H]1CCN(C(=O)[O-])C1	ZINC000824057126	614285720	/nfs/dbraw/zinc/28/57/20/614285720.db2.gz	OWYZOXSGWXPMRV-FZMZJTMJSA-N	-1	0	296.371	0.725	20	30		CCEDRM
CC(C)[C@](C)(C#N)NC(=O)[C@H](C)N(C)CC(=O)[O-]	ZINC000819883362	614286786	/nfs/dbraw/zinc/28/67/86/614286786.db2.gz	SQHUYDBEDWQPFM-CABZTGNLSA-N	-1	0	255.318	0.446	20	30		CCEDRM
CC(C)(C)C#CC(=O)N1CCOC[C@H]1c1nnn[n-]1	ZINC000913496834	614314711	/nfs/dbraw/zinc/31/47/11/614314711.db2.gz	DXVBSDBPHBDKSU-VIFPVBQESA-N	-1	0	263.301	0.149	20	30		CCEDRM
CC(C)n1cnc(S(=O)(=O)[N-]C(=O)CC2(C#N)CC2)c1	ZINC000815994496	614367889	/nfs/dbraw/zinc/36/78/89/614367889.db2.gz	ADBJEOZPWHSNMX-UHFFFAOYSA-N	-1	0	296.352	0.963	20	30		CCEDRM
CCCC[C@H](CNC(=O)[O-])NC(=O)Cn1cnc(C#N)n1	ZINC000826786806	614484298	/nfs/dbraw/zinc/48/42/98/614484298.db2.gz	CUPHYCINCMBEHW-SECBINFHSA-N	-1	0	294.315	0.092	20	30		CCEDRM
CCCN(C)S(=O)(=O)N1CCC(C#CC(=O)[O-])CC1	ZINC000844813813	614522138	/nfs/dbraw/zinc/52/21/38/614522138.db2.gz	BDCIJIVPULPZEH-UHFFFAOYSA-N	-1	0	288.369	0.373	20	30		CCEDRM
CCN(C(=O)c1cc(C#N)cn1C)C1CN(C(=O)[O-])C1	ZINC000826979398	614708009	/nfs/dbraw/zinc/70/80/09/614708009.db2.gz	GLPTXXCDOUYTMT-UHFFFAOYSA-N	-1	0	276.296	0.721	20	30		CCEDRM
C[C@@](C#N)(CC(=O)[O-])C(=O)NC[C@H]1COC(C)(C)O1	ZINC000820212042	614837891	/nfs/dbraw/zinc/83/78/91/614837891.db2.gz	WIKIXOADFCNCQS-UFBFGSQYSA-N	-1	0	270.285	0.259	20	30		CCEDRM
CCCNC(=O)CCC(=O)N1CCN(C(=O)[O-])C[C@H]1C#N	ZINC000826920160	614840859	/nfs/dbraw/zinc/84/08/59/614840859.db2.gz	FBYULWMWHKKTHV-SNVBAGLBSA-N	-1	0	296.327	0.007	20	30		CCEDRM
CC1(CC(=O)[N-]S(=O)(=O)c2cncc(C#N)c2)CC1	ZINC000813983439	614886561	/nfs/dbraw/zinc/88/65/61/614886561.db2.gz	VCQBTZSQJDQDEW-UHFFFAOYSA-N	-1	0	279.321	0.948	20	30		CCEDRM
CCCCC[C@H](NC(=O)Cn1cnc(C#N)n1)C(=O)[O-]	ZINC000829326740	614937534	/nfs/dbraw/zinc/93/75/34/614937534.db2.gz	QDCNEERKRHKWPP-VIFPVBQESA-N	-1	0	279.300	0.299	20	30		CCEDRM
CCN(CC)C(=O)C/N=C/c1c(CO)cnc(C)c1O	ZINC000871596913	614959526	/nfs/dbraw/zinc/95/95/26/614959526.db2.gz	HCHPGZGGHOTQNB-VIZOYTHASA-N	-1	0	279.340	0.875	20	30		CCEDRM
CC1=CC(=O)C(=C([O-])C=Cc2cnn(C)n2)C(=O)O1	ZINC000901416285	614968597	/nfs/dbraw/zinc/96/85/97/614968597.db2.gz	FQDQELMKHAHKES-PGLGOXFNSA-N	-1	0	261.237	0.043	20	30		CCEDRM
CCN(CC)c1ncc(C=NNCC(=O)[O-])s1	ZINC000814961234	615013249	/nfs/dbraw/zinc/01/32/49/615013249.db2.gz	ZFYVQQBJRHZAMC-UHFFFAOYSA-N	-1	0	256.331	0.997	20	30		CCEDRM
CCOCCCNC(=O)C(C#N)=C([O-])c1cnn(CC)n1	ZINC000815904854	615245848	/nfs/dbraw/zinc/24/58/48/615245848.db2.gz	RXLQKWFZUSHETA-SNVBAGLBSA-N	-1	0	293.327	0.163	20	30		CCEDRM
CCOC(=O)[C@@H](C)NC(=O)[C@](C)(C#N)CC(=O)[O-]	ZINC000820360834	615265491	/nfs/dbraw/zinc/26/54/91/615265491.db2.gz	GZXHVDYZXPOAPA-HQJQHLMTSA-N	-1	0	256.258	0.059	20	30		CCEDRM
CCOCCS(=O)(=O)[N-]C(=O)c1cc(C)c(C#N)cn1	ZINC000838804055	615297160	/nfs/dbraw/zinc/29/71/60/615297160.db2.gz	SFEBMRFYXGSAMQ-UHFFFAOYSA-N	-1	0	297.336	0.358	20	30		CCEDRM
CCO[N-]C(=O)CNC(=O)[C@H](C)Cc1ccc(C#N)cc1	ZINC000848243127	615369272	/nfs/dbraw/zinc/36/92/72/615369272.db2.gz	UFWBNDOBQVFQEI-LLVKDONJSA-N	-1	0	289.335	0.921	20	30		CCEDRM
CCO[N-]C(=O)CNC(=O)c1cc(C)c(C#N)cn1	ZINC000846490708	615370657	/nfs/dbraw/zinc/37/06/57/615370657.db2.gz	JPPJDJPQBIMKOM-UHFFFAOYSA-N	-1	0	262.269	0.059	20	30		CCEDRM
CCO[N-]C(=O)CNC(=O)c1ccc(CC#N)cc1	ZINC000846494481	615371756	/nfs/dbraw/zinc/37/17/56/615371756.db2.gz	UKUASUCGOJBTEW-UHFFFAOYSA-N	-1	0	261.281	0.550	20	30		CCEDRM
CCO[N-]C(=O)CNc1ncc(C#N)cc1[N+](=O)[O-]	ZINC000845714927	615377103	/nfs/dbraw/zinc/37/71/03/615377103.db2.gz	IRLRWFKCDZEXAV-UHFFFAOYSA-N	-1	0	265.229	0.341	20	30		CCEDRM
CCNC(=O)CN(C)[C@H](C(=O)[O-])c1cccc(C#N)c1	ZINC000829790350	615466732	/nfs/dbraw/zinc/46/67/32/615466732.db2.gz	QSSOZIURPDASLH-ZDUSSCGKSA-N	-1	0	275.308	0.752	20	30		CCEDRM
CC[C@@H](OC(=O)CCNC(=O)C1N=CC=CC1=O)C(=O)[O-]	ZINC000833646117	615544074	/nfs/dbraw/zinc/54/40/74/615544074.db2.gz	UCVVLCJQNHFDIV-NPAAXYOMSA-N	-1	0	296.279	0.309	20	30		CCEDRM
CC[C@@](C)(C#N)C(=O)NCC1(C(=O)[O-])CCOCC1	ZINC000923076022	615587904	/nfs/dbraw/zinc/58/79/04/615587904.db2.gz	NJPRHEPKNAKLSJ-LBPRGKRZSA-N	-1	0	268.313	0.924	20	30		CCEDRM
CCn1nc(C)c(C([O-])=C(C#N)C(=O)N2CCCC2)n1	ZINC000815904339	615650734	/nfs/dbraw/zinc/65/07/34/615650734.db2.gz	CHVMILXFHXISLI-SNVBAGLBSA-N	-1	0	275.312	0.551	20	30		CCEDRM
CCn1nc(C)c(C=Nn2c(=O)[n-][nH]c2=O)c1C	ZINC000814231417	615650816	/nfs/dbraw/zinc/65/08/16/615650816.db2.gz	WOHZZGMDOWMMRG-UHFFFAOYSA-N	-1	0	250.262	0.405	20	30		CCEDRM
CC[C@H](CNC(=O)CC1(C#N)CCOCC1)C(=O)[O-]	ZINC000902844246	615723871	/nfs/dbraw/zinc/72/38/71/615723871.db2.gz	GWDASPYEIXPYSD-SNVBAGLBSA-N	-1	0	268.313	0.924	20	30		CCEDRM
CC[C@H](CNC(=O)[C@@]1(C#N)CCCOC1)C(=O)[O-]	ZINC000923086965	615725653	/nfs/dbraw/zinc/72/56/53/615725653.db2.gz	RULIETQHDLZWRY-BXKDBHETSA-N	-1	0	254.286	0.534	20	30		CCEDRM
CCn1ncn(N=Cc2cc([N+](=O)[O-])ccc2[O-])c1=O	ZINC000814235290	615729229	/nfs/dbraw/zinc/72/92/29/615729229.db2.gz	DMCVQHJHJCVCND-UHFFFAOYSA-N	-1	0	277.240	0.561	20	30		CCEDRM
CC[C@H](NC(=O)CNC(=O)c1ccc(C#N)cc1)C(=O)[O-]	ZINC000828933002	615797183	/nfs/dbraw/zinc/79/71/83/615797183.db2.gz	HLMKGKBMXSMJNS-NSHDSACASA-N	-1	0	289.291	0.267	20	30		CCEDRM
CC[C@H](NN=C(C)c1cnc2ncccn12)C(=O)[O-]	ZINC000905470661	615819899	/nfs/dbraw/zinc/81/98/99/615819899.db2.gz	WDVPCERCGNLRBR-VIFPVBQESA-N	-1	0	261.285	0.906	20	30		CCEDRM
CCc1noc(CC)c1CC(=O)N(CC#N)CC(=O)[O-]	ZINC000830343918	615834411	/nfs/dbraw/zinc/83/44/11/615834411.db2.gz	HMAFZFYVPOVSKG-UHFFFAOYSA-N	-1	0	279.296	0.779	20	30		CCEDRM
CCN1C(=S)N=NC1CNC(=O)[C@@](C)(C#N)CC(=O)[O-]	ZINC000820507203	615927541	/nfs/dbraw/zinc/92/75/41/615927541.db2.gz	YGXGMRORSQFYTK-LLVKDONJSA-N	-1	0	297.340	0.207	20	30		CCEDRM
CCn1cc(CNC(=O)[C@](C)(C#N)CC(=O)[O-])cn1	ZINC000820511374	615995339	/nfs/dbraw/zinc/99/53/39/615995339.db2.gz	DLNAJHLPITUZCU-LBPRGKRZSA-N	-1	0	264.285	0.524	20	30		CCEDRM
CCn1cc(S(=O)(=O)[N-]C(=O)[C@@H](C)CC#N)nc1C	ZINC000850920611	616010847	/nfs/dbraw/zinc/01/08/47/616010847.db2.gz	DTJSFFUSJYWVMN-QMMMGPOBSA-N	-1	0	284.341	0.566	20	30		CCEDRM
COC/C=C/C(=O)[N-]S(=O)(=O)CC1(C#N)CCCC1	ZINC000870273797	616399717	/nfs/dbraw/zinc/39/97/17/616399717.db2.gz	XIYNNMSWTFOCSW-SNAWJCMRSA-N	-1	0	286.353	0.719	20	30		CCEDRM
COC1(CNC(=O)[C@](C)(C#N)CC(=O)[O-])CCC1	ZINC000820702727	616453148	/nfs/dbraw/zinc/45/31/48/616453148.db2.gz	BVAODIIMIJPQOK-NSHDSACASA-N	-1	0	254.286	0.676	20	30		CCEDRM
COCCNC(=O)C(C#N)=C([O-])c1c(Cl)cnn1C	ZINC000850757870	616491608	/nfs/dbraw/zinc/49/16/08/616491608.db2.gz	SKLMWKFNTZCQQX-ZETCQYMHSA-N	-1	0	284.703	0.159	20	30		CCEDRM
COCCOc1ccc(C=NNCC(=O)[O-])cc1	ZINC000814958412	616591143	/nfs/dbraw/zinc/59/11/43/616591143.db2.gz	QUHGBWZKVNQZAZ-UHFFFAOYSA-N	-1	0	252.270	0.720	20	30		CCEDRM
COC[C@H](C)S(=O)(=O)[N-]C(=O)CC1(C#N)CC1	ZINC000815948617	616629742	/nfs/dbraw/zinc/62/97/42/616629742.db2.gz	PCKIMULQEGYDTG-QMMMGPOBSA-N	-1	0	260.315	0.161	20	30		CCEDRM
COC(=O)N(C)CC(=O)[N-]Oc1cccc(C#N)c1	ZINC000870693036	616747446	/nfs/dbraw/zinc/74/74/46/616747446.db2.gz	VWZZDHJTWZVNKP-UHFFFAOYSA-N	-1	0	263.253	0.666	20	30		CCEDRM
COC(=O)[C@]1(C)CCN(C(=O)[C@](C)(C#N)CC(=O)[O-])C1	ZINC000820653334	616761578	/nfs/dbraw/zinc/76/15/78/616761578.db2.gz	FFDNSHREDOKKLG-OLZOCXBDSA-N	-1	0	282.296	0.403	20	30		CCEDRM
COC[C@@H](C)CC(=O)[N-]S(=O)(=O)CC1(C#N)CC1	ZINC000793196887	616784703	/nfs/dbraw/zinc/78/47/03/616784703.db2.gz	XSCYYFVPZXOBFY-VIFPVBQESA-N	-1	0	274.342	0.409	20	30		CCEDRM
CNC(=O)C(C#N)=C([O-])c1cc(-c2ccoc2)[nH]n1	ZINC000917001620	616838725	/nfs/dbraw/zinc/83/87/25/616838725.db2.gz	CSXVELSPIVMNIZ-MRVPVSSYSA-N	-1	0	258.237	0.738	20	30		CCEDRM
CNC(=O)C(C#N)=C([O-])c1ccnc2ccncc21	ZINC000810534507	616839373	/nfs/dbraw/zinc/83/93/73/616839373.db2.gz	UYDCQIFQTWOSFR-SECBINFHSA-N	-1	0	254.249	0.698	20	30		CCEDRM
CNC(=O)C(C#N)=C([O-])c1nccnc1SC	ZINC000892518501	616839714	/nfs/dbraw/zinc/83/97/14/616839714.db2.gz	VCXWDJZNMZQUEW-ZCFIWIBFSA-N	-1	0	250.283	0.267	20	30		CCEDRM
CNC(=O)C(C#N)=C([O-])c1csc(-c2cnn(C)c2)n1	ZINC000917003137	616839733	/nfs/dbraw/zinc/83/97/33/616839733.db2.gz	YQVFLTCRAJIZAM-MRVPVSSYSA-N	-1	0	289.320	0.612	20	30		CCEDRM
CNC(=O)C(C#N)=C([O-])c1nn(-c2ccccc2)cc1OC	ZINC000917002642	616839773	/nfs/dbraw/zinc/83/97/73/616839773.db2.gz	MKMXMWRNCBIUDX-LLVKDONJSA-N	-1	0	298.302	0.949	20	30		CCEDRM
CNC(=O)C(C#N)=C([O-])c1ccc(OCC(F)F)nc1	ZINC000156139381	616839803	/nfs/dbraw/zinc/83/98/03/616839803.db2.gz	DKQXSJWSSLKIRT-MRVPVSSYSA-N	-1	0	283.234	0.794	20	30		CCEDRM
COC[C@@H](C)[C@H](C)C(=O)[N-]S(=O)(=O)CCCC#N	ZINC000813080242	616842213	/nfs/dbraw/zinc/84/22/13/616842213.db2.gz	DKAVROCXAONRHS-ZJUUUORDSA-N	-1	0	276.358	0.655	20	30		CCEDRM
COCCCNC(=O)C(C#N)=C([O-])c1conc1C	ZINC000860461862	616898680	/nfs/dbraw/zinc/89/86/80/616898680.db2.gz	NTJZWAPTVCKBBU-VIFPVBQESA-N	-1	0	265.269	0.458	20	30		CCEDRM
COC(=O)c1ccc(CN(CC#N)CC(=O)[O-])s1	ZINC000831378937	616898859	/nfs/dbraw/zinc/89/88/59/616898859.db2.gz	JEQFJFAWLKMWSV-UHFFFAOYSA-N	-1	0	268.294	0.945	20	30		CCEDRM
CNC(=S)N(C)N=Cc1cccc(OCC(=O)[O-])c1	ZINC000841647701	616928153	/nfs/dbraw/zinc/92/81/53/616928153.db2.gz	YMGGZLMSVOJVGI-UHFFFAOYSA-N	-1	0	281.337	0.920	20	30		CCEDRM
CNC(=S)NN=C(C)C[C@@H]1CCCN1C(=O)[O-]	ZINC000828572363	616930712	/nfs/dbraw/zinc/93/07/12/616930712.db2.gz	BTLLOTJVCNYEOU-QMMMGPOBSA-N	-1	0	258.347	0.989	20	30		CCEDRM
COC[C@@H](OC)C(=O)[N-]Oc1cccc(C#N)c1	ZINC000870689393	616933229	/nfs/dbraw/zinc/93/32/29/616933229.db2.gz	BRQAJZFRDRNWFD-LLVKDONJSA-N	-1	0	250.254	0.630	20	30		CCEDRM
COCCN(CC(=O)N(C[C@@H](C)C#N)C1CC1)C(=O)[O-]	ZINC000833883508	616977704	/nfs/dbraw/zinc/97/77/04/616977704.db2.gz	KOZNMGFWSOLDIY-JTQLQIEISA-N	-1	0	283.328	0.763	20	30		CCEDRM
COCCN(CC(=O)NCC(C)(C)C#N)C(=O)[O-]	ZINC000833884696	616979142	/nfs/dbraw/zinc/97/91/42/616979142.db2.gz	SBUAFFIKHBWJRO-UHFFFAOYSA-N	-1	0	257.290	0.279	20	30		CCEDRM
CO[C@H](C(=O)[O-])C(=O)NCc1cc(C#N)ccc1F	ZINC000902812220	616993297	/nfs/dbraw/zinc/99/32/97/616993297.db2.gz	PODXMDRHCQSFMQ-JTQLQIEISA-N	-1	0	266.228	0.413	20	30		CCEDRM
COC[C@@](C)(C#N)NC(=O)c1ccc(OCC(=O)[O-])cc1	ZINC000831540589	617012179	/nfs/dbraw/zinc/01/21/79/617012179.db2.gz	AAUPYDSQLQEFPA-CQSZACIVSA-N	-1	0	292.291	0.808	20	30		CCEDRM
COC[C@@](C)(CC(=O)[O-])NS(=O)(=O)CCCCC#N	ZINC000831586331	617014477	/nfs/dbraw/zinc/01/44/77/617014477.db2.gz	VGPLRCDNUXRVTA-LLVKDONJSA-N	-1	0	292.357	0.479	20	30		CCEDRM
CON=Cc1ccc(C(=O)[N-]S(=O)(=O)CCC#N)cc1	ZINC000835413061	617106815	/nfs/dbraw/zinc/10/68/15/617106815.db2.gz	YTMCVDFEXZYEAY-UHFFFAOYSA-N	-1	0	295.320	0.640	20	30		CCEDRM
CO[C@](C)(C(=O)[N-]S(=O)(=O)CC1(C#N)CC1)C1CC1	ZINC000813084006	617124922	/nfs/dbraw/zinc/12/49/22/617124922.db2.gz	FCWLKPLDSAIALY-NSHDSACASA-N	-1	0	286.353	0.551	20	30		CCEDRM
CO[C@]1(C(=O)[O-])CCN(C(=O)[C@@]2(C#N)CCCOC2)C1	ZINC000923097787	617131006	/nfs/dbraw/zinc/13/10/06/617131006.db2.gz	ALJGXSGYDYVTIY-CHWSQXEVSA-N	-1	0	282.296	0.009	20	30		CCEDRM
COc1cc(C#N)ccc1S(=O)(=O)[N-]C(=O)C1(F)CC1	ZINC000842764925	617153018	/nfs/dbraw/zinc/15/30/18/617153018.db2.gz	RXLPMQALZNYPSO-UHFFFAOYSA-N	-1	0	298.295	0.874	20	30		CCEDRM
C[C@@H]1CO[C@H](C(=O)[N-]S(=O)(=O)c2ccc(C#N)cc2)C1	ZINC000892413812	623185999	/nfs/dbraw/zinc/18/59/99/623185999.db2.gz	ITLKPSVAJPKBJK-CABZTGNLSA-N	-1	0	294.332	0.788	20	30		CCEDRM
C#C[C@H](CC)NS(=O)(=O)c1cc(C(=O)[O-])oc1C	ZINC000229872203	623571478	/nfs/dbraw/zinc/57/14/78/623571478.db2.gz	XHZUCAJTIIVOPK-MRVPVSSYSA-N	-1	0	271.294	0.976	20	30		CCEDRM
C#C[C@H](CC)NS(=O)(=O)c1c[nH]c(C(=O)[O-])c1	ZINC000229871312	623571609	/nfs/dbraw/zinc/57/16/09/623571609.db2.gz	FMPMMVNNBRKNRV-SSDOTTSWSA-N	-1	0	256.283	0.403	20	30		CCEDRM
C#C[C@@H](C)NS(=O)(=O)c1ccc(C(=O)[O-])cc1C	ZINC000310916148	623592138	/nfs/dbraw/zinc/59/21/38/623592138.db2.gz	INSIATUWCSQZKF-SECBINFHSA-N	-1	0	267.306	0.993	20	30		CCEDRM
Cc1cc(S(=O)(=O)NC/C=C/C(=O)[O-])ccc1C#N	ZINC000311331509	623715202	/nfs/dbraw/zinc/71/52/02/623715202.db2.gz	DDRZBKIRVAIETI-NSCUHMNNSA-N	-1	0	280.305	0.786	20	30		CCEDRM
CS(=O)(=O)[N-]C(=O)[C@H]1Cc2ccccc2C(=O)O1	ZINC000048479770	624784634	/nfs/dbraw/zinc/78/46/34/624784634.db2.gz	OLRMPGXWYKYWFH-SECBINFHSA-N	-1	0	269.278	0.684	20	30		CCEDRM
COCCCNC(=O)C(C#N)=C([O-])c1ccco1	ZINC000124944652	625735062	/nfs/dbraw/zinc/73/50/62/625735062.db2.gz	OZXKZFSPTQHKKA-SECBINFHSA-N	-1	0	250.254	0.755	20	30		CCEDRM
O=C([O-])COc1cccc(C=NN2CCC[C@H]2CO)c1	ZINC000841660909	630971797	/nfs/dbraw/zinc/97/17/97/630971797.db2.gz	OJSABACVEULITN-LBPRGKRZSA-N	-1	0	278.308	0.941	20	30		CCEDRM
Cn1c(C=Nn2c(=O)[n-][nH]c2=O)nc2ccccc21	ZINC000814232993	631592980	/nfs/dbraw/zinc/59/29/80/631592980.db2.gz	WJFNOWKNAOXXGN-UHFFFAOYSA-N	-1	0	258.241	0.458	20	30		CCEDRM
CO[C@H](C)C(=O)[N-]S(=O)(=O)N1CCCCC1	ZINC000048869638	631850217	/nfs/dbraw/zinc/85/02/17/631850217.db2.gz	CMPAXMPJYIFNOQ-MRVPVSSYSA-N	-1	0	250.320	0.709	20	30		CCEDRM
N#Cc1cn(CC(=O)N2CCC=C(Cl)C2)c(=O)[n-]c1=O	ZINC000898201628	633290712	/nfs/dbraw/zinc/29/07/12/633290712.db2.gz	MZROQRVEPRVUCA-UHFFFAOYSA-N	-1	0	294.698	0.176	20	30		CCEDRM
N#Cc1cc2cccnc2nc1N1CCOC[C@@H]1C(=O)[O-]	ZINC000900945281	634126388	/nfs/dbraw/zinc/12/63/88/634126388.db2.gz	JFPJMWLKURSWFQ-LLVKDONJSA-N	-1	0	284.275	0.791	20	30		CCEDRM
N#Cc1nc(N2CCOC[C@H]2C(=O)[O-])ccc1Cl	ZINC000900945143	634132245	/nfs/dbraw/zinc/13/22/45/634132245.db2.gz	MFDHBYFVSICSHR-VIFPVBQESA-N	-1	0	267.672	0.896	20	30		CCEDRM
Cn1cc(S(=O)(=O)N[C@H](CC#N)C(F)(F)F)cn1	ZINC000901771334	634276137	/nfs/dbraw/zinc/27/61/37/634276137.db2.gz	DDIINKKBXQUZBZ-SSDOTTSWSA-N	-1	0	282.247	0.543	20	30		CCEDRM
C[C@H](CC#N)N(C)C(=O)c1cc(C(=O)[O-])nn1C	ZINC000902274000	634356006	/nfs/dbraw/zinc/35/60/06/634356006.db2.gz	RIPCJXGDCNQPOT-SSDOTTSWSA-N	-1	0	250.258	0.492	20	30		CCEDRM
N#CC1(C(=O)N[C@@H](CC(=O)[O-])C(F)(F)F)CCOCC1	ZINC000911157950	636185101	/nfs/dbraw/zinc/18/51/01/636185101.db2.gz	YIEZWYWCQMTNAR-ZETCQYMHSA-N	-1	0	294.229	0.829	20	30		CCEDRM
N#Cc1c(F)cccc1S(=O)(=O)NC1(C(=O)[O-])CCC1	ZINC000164922298	636889337	/nfs/dbraw/zinc/88/93/37/636889337.db2.gz	WGEPARQMWSBQRQ-UHFFFAOYSA-N	-1	0	298.295	0.983	20	30		CCEDRM
C#CCCCCNC(=O)N1CCOC[C@@H]1C(=O)[O-]	ZINC000227461477	637027018	/nfs/dbraw/zinc/02/70/18/637027018.db2.gz	WXIFJWUTLLXJBF-SNVBAGLBSA-N	-1	0	254.286	0.285	20	30		CCEDRM
C[C@H](C#N)CNC(=O)c1n[n-]c2ccccc2c1=O	ZINC000172381002	637172534	/nfs/dbraw/zinc/17/25/34/637172534.db2.gz	KNNOMGXGXOXQEV-MRVPVSSYSA-N	-1	0	256.265	0.813	20	30		CCEDRM
C#CCSCCNC(=O)N[C@H](CCOC)C(=O)[O-]	ZINC000231959475	637235635	/nfs/dbraw/zinc/23/56/35/637235635.db2.gz	HBTNRSDMGKQANB-SECBINFHSA-N	-1	0	274.342	0.142	20	30		CCEDRM
C#CCSCCNC(=O)NCC1(C(=O)[O-])CCC1	ZINC000231959233	637236132	/nfs/dbraw/zinc/23/61/32/637236132.db2.gz	GGZCKNZWCYLUTP-UHFFFAOYSA-N	-1	0	270.354	0.907	20	30		CCEDRM
N#CCCS(=O)(=O)[N-]C(=O)C[C@@H]1CC[C@@H]2C[C@@H]21	ZINC000835410606	637723604	/nfs/dbraw/zinc/72/36/04/637723604.db2.gz	WMVNCDQNLKBTJQ-UTLUCORTSA-N	-1	0	256.327	0.782	20	30		CCEDRM
Cc1nnc(NN=Cc2cnn(-c3ccccc3)n2)[n-]c1=O	ZINC000916541299	637905447	/nfs/dbraw/zinc/90/54/47/637905447.db2.gz	OAHXKJIPHZLIAE-UHFFFAOYSA-N	-1	0	296.294	0.912	20	30		CCEDRM
Cn1cc([N+](=O)[O-])cc1C([O-])=C(C#N)C(=O)NC1CC1	ZINC000916930668	637932427	/nfs/dbraw/zinc/93/24/27/637932427.db2.gz	GNILJMNVMYNWEN-SECBINFHSA-N	-1	0	276.252	0.534	20	30		CCEDRM
N#CCCCS(=O)(=O)[N-]C(=O)c1ccc([N+](=O)[O-])cc1	ZINC000181266589	638329980	/nfs/dbraw/zinc/32/99/80/638329980.db2.gz	UTWHUAONPMFOQA-UHFFFAOYSA-N	-1	0	297.292	0.958	20	30		CCEDRM
C#CCCCCC(=O)[N-]S(=O)(=O)CCCC#N	ZINC000181294226	638334766	/nfs/dbraw/zinc/33/47/66/638334766.db2.gz	BOBXWAYPURUFFR-UHFFFAOYSA-N	-1	0	256.327	0.930	20	30		CCEDRM
C#C[C@@H](C)NC(=O)c1ccc2c(c1)[n-]c(=S)n(C)c2=O	ZINC000185291164	638763741	/nfs/dbraw/zinc/76/37/41/638763741.db2.gz	FYSQXRHOWBNSKJ-MRVPVSSYSA-N	-1	0	287.344	0.974	20	30		CCEDRM
O=C(N[C@H]1CCN(O)C1=O)c1ncc(F)cc1F	ZINC000820143097	638864717	/nfs/dbraw/zinc/86/47/17/638864717.db2.gz	CUUMJCUQJSURKC-ZETCQYMHSA-N	-1	0	257.196	0.080	20	30		CCEDRM
C#C[C@@H](C)NC(=O)c1ccc2c(c1)[n-]c(=S)[nH]c2=O	ZINC000186326036	638894872	/nfs/dbraw/zinc/89/48/72/638894872.db2.gz	GGOVMGYQJOHACO-SSDOTTSWSA-N	-1	0	273.317	0.963	20	30		CCEDRM
C[C@@H]1CN(C(=O)[C@]2(C#N)CCCOC2)C[C@@H](C(=O)[O-])O1	ZINC000923098355	640021305	/nfs/dbraw/zinc/02/13/05/640021305.db2.gz	KLTZFCHUAADPKK-NRUUGDAUSA-N	-1	0	282.296	0.007	20	30		CCEDRM
Cn1cc(C=Nn2c(=O)c3ccccc3[n-]c2=S)nn1	ZINC000755616320	640330022	/nfs/dbraw/zinc/33/00/22/640330022.db2.gz	CZZIEZIDCRFASQ-UHFFFAOYSA-N	-1	0	286.320	0.696	20	30		CCEDRM
Cn1cnc(/C=C\C(=O)c2cnc([O-])n(C)c2=O)c1	ZINC000798232192	640487495	/nfs/dbraw/zinc/48/74/95/640487495.db2.gz	YNNPALZADDUBJI-ARJAWSKDSA-N	-1	0	260.253	0.116	20	30		CCEDRM
Cc1nnc(NN=Cc2cn(C(C)C)nn2)[n-]c1=O	ZINC000807949977	640842721	/nfs/dbraw/zinc/84/27/21/640842721.db2.gz	OQEJCHDLHFBBSQ-UHFFFAOYSA-N	-1	0	262.277	0.504	20	30		CCEDRM
N#CCCCS(=O)(=O)[N-]C(=O)Cn1cc(Cl)cn1	ZINC000808997049	640884465	/nfs/dbraw/zinc/88/44/65/640884465.db2.gz	QBBOCHDBCVWIRW-UHFFFAOYSA-N	-1	0	290.732	0.286	20	30		CCEDRM
N#Cc1cnn(C(=O)c2cc([O-])cc(C#N)c2)c1N	ZINC000809625912	640902105	/nfs/dbraw/zinc/90/21/05/640902105.db2.gz	CCYPZMQQNGWMEM-UHFFFAOYSA-N	-1	0	253.221	0.603	20	30		CCEDRM
CC#CCS(=O)(=O)[N-]C(=O)C1=Cc2ccccc2OC1	ZINC000810777362	640949453	/nfs/dbraw/zinc/94/94/53/640949453.db2.gz	FPJLBKXPGHIPAT-UHFFFAOYSA-N	-1	0	291.328	0.932	20	30		CCEDRM
N#Cc1cncc(S(=O)(=O)[N-]C(=O)CC2CC2)c1	ZINC000813980567	641051486	/nfs/dbraw/zinc/05/14/86/641051486.db2.gz	ICRQXIUUMXUBFI-UHFFFAOYSA-N	-1	0	265.294	0.558	20	30		CCEDRM
O=C1NC(=O)C(=N[N-]c2c(F)cccc2Cl)C(=O)N1	ZINC000814227551	641060981	/nfs/dbraw/zinc/06/09/81/641060981.db2.gz	WONDTMJOQDYCHC-UHFFFAOYSA-N	-1	0	284.634	0.613	20	30		CCEDRM
O=c1[n-][nH]c(=O)n1N=Cc1cncc(Br)c1	ZINC000814231270	641061374	/nfs/dbraw/zinc/06/13/74/641061374.db2.gz	SAIIQLQYUCNGPI-UHFFFAOYSA-N	-1	0	284.073	0.729	20	30		CCEDRM
C[C@H]1C(=NNCCS(C)(=O)=O)CC[C@@H]1CC(=O)[O-]	ZINC000814849528	641078064	/nfs/dbraw/zinc/07/80/64/641078064.db2.gz	ZDPXNNJAIYWILH-RKDXNWHRSA-N	-1	0	276.358	0.497	20	30		CCEDRM
C[C@H]1CC(N=Nc2ccc(C(N)=O)nn2)CC[C@H]1C(=O)[O-]	ZINC000814869641	641079279	/nfs/dbraw/zinc/07/92/79/641079279.db2.gz	AQSDLQWYBLQDJK-IONNQARKSA-N	-1	0	291.311	0.864	20	30		CCEDRM
C[C@@H]1CCC(=NNCC(=O)[O-])[C@H](n2cncn2)C1	ZINC000814956988	641083938	/nfs/dbraw/zinc/08/39/38/641083938.db2.gz	RJRQBCZZZONAML-PSASIEDQSA-N	-1	0	251.290	0.669	20	30		CCEDRM
Cc1ccc(Cl)c2c1NC(=O)C2=NNCC(=O)[O-]	ZINC000814960468	641084475	/nfs/dbraw/zinc/08/44/75/641084475.db2.gz	SFRMSUJUPSHZGQ-UHFFFAOYSA-N	-1	0	267.672	0.979	20	30		CCEDRM
Cn1cc(C=NNCC(=O)[O-])c(-c2ccncc2)n1	ZINC000814959113	641084629	/nfs/dbraw/zinc/08/46/29/641084629.db2.gz	NPZPBDPCBRIXEC-UHFFFAOYSA-N	-1	0	259.269	0.490	20	30		CCEDRM
Nc1nc(Cl)c(C=NNCC(=O)[O-])c(N2CCCC2)n1	ZINC000814959119	641084643	/nfs/dbraw/zinc/08/46/43/641084643.db2.gz	OENILCMCSSXOGW-UHFFFAOYSA-N	-1	0	298.734	0.321	20	30		CCEDRM
Cn1nncc1NN=Cc1ccc(O)c(C(=O)[O-])c1	ZINC000814983989	641087075	/nfs/dbraw/zinc/08/70/75/641087075.db2.gz	RKHQADOYSJGBOU-UHFFFAOYSA-N	-1	0	261.241	0.665	20	30		CCEDRM
N#CCCCS(=O)(=O)[N-]C(=O)CCc1cncs1	ZINC000816005486	641136449	/nfs/dbraw/zinc/13/64/49/641136449.db2.gz	OAVIWCGNJUXBOR-UHFFFAOYSA-N	-1	0	287.366	0.825	20	30		CCEDRM
O=C(N[C@H]1CCCN(O)C1=O)c1ccc([N+](=O)[O-])cc1[O-]	ZINC000816754509	641210192	/nfs/dbraw/zinc/21/01/92/641210192.db2.gz	GHNPHROXTXPRSA-VIFPVBQESA-N	-1	0	295.251	0.410	20	30		CCEDRM
O=C(N[C@@H]1CCN(O)C1=O)c1ccc2oc(=S)[n-]c2c1	ZINC000820143637	641471195	/nfs/dbraw/zinc/47/11/95/641471195.db2.gz	LOABPVDHXIFRBR-SSDOTTSWSA-N	-1	0	293.304	0.836	20	30		CCEDRM
N#CC1(C(=O)[N-]OCCN2CCCC2=O)CCSCC1	ZINC000825565692	641895839	/nfs/dbraw/zinc/89/58/39/641895839.db2.gz	JMYTVHJTYPLAPZ-UHFFFAOYSA-N	-1	0	297.380	0.694	20	30		CCEDRM
N#CC(C(=O)N1CCCC1)=C([O-])c1c[nH]c(-c2nn[nH]n2)c1	ZINC000826379197	641930043	/nfs/dbraw/zinc/93/00/43/641930043.db2.gz	LORGYFRXPWKIOA-VIFPVBQESA-N	-1	0	299.294	0.140	20	30		CCEDRM
N#Cc1ccc(CNC(=O)NCCCC(=O)[O-])nc1	ZINC000831042745	642309583	/nfs/dbraw/zinc/30/95/83/642309583.db2.gz	WWPBBBWZYUBXDA-UHFFFAOYSA-N	-1	0	262.269	0.617	20	30		CCEDRM
C[C@H](CO)N(C)N=Cc1ccc([O-])c([N+](=O)[O-])c1	ZINC000842544280	642910966	/nfs/dbraw/zinc/91/09/66/642910966.db2.gz	GUVPYBCFGKASTI-MRVPVSSYSA-N	-1	0	253.258	0.947	20	30		CCEDRM
Cc1nccc(CCC(=O)[N-]S(=O)(=O)CCCC#N)n1	ZINC000842752348	642945888	/nfs/dbraw/zinc/94/58/88/642945888.db2.gz	LPQJYBNESICRNO-UHFFFAOYSA-N	-1	0	296.352	0.467	20	30		CCEDRM
N#CCCCCC(=O)[N-]S(=O)(=O)C[C@@H]1CCCO1	ZINC000847677270	643546152	/nfs/dbraw/zinc/54/61/52/643546152.db2.gz	CJBQCZPJOYIFNR-JTQLQIEISA-N	-1	0	274.342	0.695	20	30		CCEDRM
N#Cc1cncc(N2CC(C[N-]C(=O)C(F)(F)F)C2)n1	ZINC000866294448	645515168	/nfs/dbraw/zinc/51/51/68/645515168.db2.gz	PQMJNYXHLLBTEB-UHFFFAOYSA-N	-1	0	285.229	0.463	20	30		CCEDRM
C[C@@H]1CCn2cc(C(=O)N[C@H]3CCCN(O)C3=O)nc2C1	ZINC000868562469	645786604	/nfs/dbraw/zinc/78/66/04/645786604.db2.gz	FQOZZOZXOHPSFK-ZJUUUORDSA-N	-1	0	292.339	0.575	20	30		CCEDRM
O=C([O-])Cn1cc(C=NNC[C@@H]2CCCC2(F)F)nn1	ZINC000872405886	646256754	/nfs/dbraw/zinc/25/67/54/646256754.db2.gz	NVSXANCBJYCSAU-QMMMGPOBSA-N	-1	0	287.270	0.722	20	30		CCEDRM
C[C@@H](C#N)C[N-]S(=O)(=O)N=[S@@](C)(=O)C(C)(C)C	ZINC000872456165	646264125	/nfs/dbraw/zinc/26/41/25/646264125.db2.gz	JXOJYHGBMGHGTF-PWJLMRLQSA-N	-1	0	281.403	0.877	20	30		CCEDRM
C[C@H](CCNS(=O)(=O)c1cccc(C#N)c1)C(=O)[O-]	ZINC000129253622	647341134	/nfs/dbraw/zinc/34/11/34/647341134.db2.gz	PVELLCQFRBJJDB-SECBINFHSA-N	-1	0	282.321	0.947	20	30		CCEDRM
N#CC(C(=O)NC1CC1)=C([O-])c1ncn(-c2ccccc2)n1	ZINC000131221573	647499060	/nfs/dbraw/zinc/49/90/60/647499060.db2.gz	BMMLNNWJUUDMQW-GFCCVEGCSA-N	-1	0	295.302	0.868	20	30		CCEDRM
O=C([N-]S(=O)(=O)c1ccc(F)cc1)[C@H]1COCCO1	ZINC000048455333	649321733	/nfs/dbraw/zinc/32/17/33/649321733.db2.gz	KZUCXHQNVDVQIC-SNVBAGLBSA-N	-1	0	289.284	0.886	20	30		CCEDRM
C=CCC1(C(=O)[N-]S(=O)(=O)CCOC)CCC1	ZINC000192231616	649502228	/nfs/dbraw/zinc/50/22/28/649502228.db2.gz	OFUUPPDJRMNBFX-UHFFFAOYSA-N	-1	0	261.343	0.825	20	30		CCEDRM
C=CCC1(C(=O)[N-]S(=O)(=O)N2CCOCC2)CCC1	ZINC000192238784	649502299	/nfs/dbraw/zinc/50/22/99/649502299.db2.gz	MBGLNTIUUUHMKF-UHFFFAOYSA-N	-1	0	288.369	0.426	20	30		CCEDRM
COCCNC(=O)C(C#N)=C([O-])c1cccs1	ZINC000193412062	649536859	/nfs/dbraw/zinc/53/68/59/649536859.db2.gz	JBNIWJMXDNUCBQ-QMMMGPOBSA-N	-1	0	252.295	0.833	20	30		CCEDRM
COCCNC(=O)C(C#N)=C([O-])c1cccc(C#N)c1	ZINC000193413887	649537235	/nfs/dbraw/zinc/53/72/35/649537235.db2.gz	ODGDEFUDGDACBE-LBPRGKRZSA-N	-1	0	271.276	0.643	20	30		CCEDRM
CNC(=O)C(C#N)=C([O-])c1ccc2c(c1)OCCCO2	ZINC000193636787	649551199	/nfs/dbraw/zinc/55/11/99/649551199.db2.gz	FDAUENIMYDKLJY-JTQLQIEISA-N	-1	0	274.276	0.916	20	30		CCEDRM
Cn1cc(S(=O)(=O)[N-]C(=O)C=C2CCC2)cc1C(N)=O	ZINC000088800461	649645210	/nfs/dbraw/zinc/64/52/10/649645210.db2.gz	JEPVPGFULXASLV-UHFFFAOYSA-N	-1	0	297.336	0.880	20	30		CCEDRM
C#CC[C@@H](COC)NC(=O)[C@]1(C(=O)[O-])CC1(C)C	ZINC001588389081	958003872	/nfs/dbraw/zinc/00/38/72/958003872.db2.gz	LXGPHNMILNTERK-ZANVPECISA-N	-1	0	253.298	0.642	20	30		CCEDRM
C=CCOCCNC(=O)N1CC[C@@H](C(=O)[O-])[C@@H]1C	ZINC000310674729	963424109	/nfs/dbraw/zinc/42/41/09/963424109.db2.gz	PBRJTFLWTZLQOY-VHSXEESVSA-N	-1	0	256.302	0.694	20	30		CCEDRM
Nc1nonc1C(=Nc1cc(F)cc(C(=O)[O-])c1)NO	ZINC001209885870	790706951	/nfs/dbraw/zinc/70/69/51/790706951.db2.gz	OUJVQDOVCURONN-UHFFFAOYSA-N	-1	0	281.203	0.546	20	30		CCEDRM
CC1(C)C(=O)NCCN1Cc1ccc(C#N)cc1O	ZINC001233386226	806051781	/nfs/dbraw/zinc/05/17/81/806051781.db2.gz	KTRKTXDJSIYNAU-UHFFFAOYSA-N	-1	0	259.309	0.974	20	30		CCEDRM
N#CCc1ccc(N[C@@H]2CO[N-]C2=O)cc1[N+](=O)[O-]	ZINC001167519252	791506942	/nfs/dbraw/zinc/50/69/42/791506942.db2.gz	MBKPRFPFEOCLGV-SECBINFHSA-N	-1	0	262.225	0.503	20	30		CCEDRM
COC(=O)[C@H](CS)Nc1cccc(S(=O)(=O)[O-])c1	ZINC001167623272	791645148	/nfs/dbraw/zinc/64/51/48/791645148.db2.gz	JMFJBFHKLHYCPS-VIFPVBQESA-N	-1	0	291.350	0.817	20	30		CCEDRM
COc1cc(OC(=O)[C@H](O)CCC(=O)[O-])ccc1C#N	ZINC001234500398	806261669	/nfs/dbraw/zinc/26/16/69/806261669.db2.gz	ZHLJDODMDYHMQK-SNVBAGLBSA-N	-1	0	279.248	0.698	20	30		CCEDRM
C[C@@H](CON)Oc1[n-]c(=O)nc2ccc(C#N)cc21	ZINC001234530131	806267482	/nfs/dbraw/zinc/26/74/82/806267482.db2.gz	IDCDAEINXSMWKV-ZETCQYMHSA-N	-1	0	260.253	0.865	20	30		CCEDRM
C=CCn1c(-c2cc(=O)[nH][n-]2)nnc1N(C)[C@H](C)C1CC1	ZINC001121663714	799063756	/nfs/dbraw/zinc/06/37/56/799063756.db2.gz	YLPKPNKLFPOREF-SECBINFHSA-N	-1	0	288.355	0.923	20	30		CCEDRM
CNC(=O)C(C#N)=C([O-])c1nn(C2CCOCC2)cc1C	ZINC001122427433	799233068	/nfs/dbraw/zinc/23/30/68/799233068.db2.gz	HTBIILQADLLBCN-LLVKDONJSA-N	-1	0	290.323	0.612	20	30		CCEDRM
C=CCNC(=O)C(C#N)=C([O-])c1ccc(C#N)nc1	ZINC001122496960	799249759	/nfs/dbraw/zinc/24/97/59/799249759.db2.gz	ULBAHHPAJKGYAK-LLVKDONJSA-N	-1	0	254.249	0.578	20	30		CCEDRM
Cn1ccnc1C([O-])=C(C#N)C(=O)CCN1CCCC1=O	ZINC001122632172	799277772	/nfs/dbraw/zinc/27/77/72/799277772.db2.gz	QYLONGCKLSUPDA-JTQLQIEISA-N	-1	0	288.307	0.324	20	30		CCEDRM
C=CCCO[C@H](C)C(=O)N1CCC[C@H](Cc2nnn[n-]2)C1	ZINC001123915354	799503588	/nfs/dbraw/zinc/50/35/88/799503588.db2.gz	UEXUQGFFYWUEQN-VXGBXAGGSA-N	-1	0	293.371	0.962	20	30		CCEDRM
CC[C@@]1(C)NC(=O)N([N-]C(=O)c2coc(C#N)c2)C1=O	ZINC001139682619	799829292	/nfs/dbraw/zinc/82/92/92/799829292.db2.gz	GHOISAWEGPKNTO-GFCCVEGCSA-N	-1	0	276.252	0.517	20	30		CCEDRM
CC(C)CCCNC(=O)CCn1cc(C#N)c(=O)[n-]c1=O	ZINC001141528840	800016797	/nfs/dbraw/zinc/01/67/97/800016797.db2.gz	NKSZMACGBHUBOJ-UHFFFAOYSA-N	-1	0	292.339	0.763	20	30		CCEDRM
C[C@H](NC(=O)c1ccc(C#N)c(Cl)n1)C(=O)[O-]	ZINC001574063154	969844324	/nfs/dbraw/zinc/84/43/24/969844324.db2.gz	OVDICAZCTQUTHN-YFKPBYRVSA-N	-1	0	253.645	0.810	20	30		CCEDRM
Cc1cc(C#N)c(=O)[n-]c1C(=O)N[C@]1(C)CCOC1	ZINC001150953247	800380435	/nfs/dbraw/zinc/38/04/35/800380435.db2.gz	CYONQLGQXZCPSJ-CYBMUJFWSA-N	-1	0	261.281	0.876	20	30		CCEDRM
C#C[C@H](CC)NC(=O)c1[nH]c(=O)[nH]c(=O)c1OC	ZINC001156824952	801242486	/nfs/dbraw/zinc/24/24/86/801242486.db2.gz	NUQSBQBNVVIDFO-ZCFIWIBFSA-N	-1	0	251.242	0.038	20	30		CCEDRM
C=CCN(C(=O)Cn1c(=O)[n-][nH]c1=O)c1ccccc1	ZINC001160489274	801950776	/nfs/dbraw/zinc/95/07/76/801950776.db2.gz	KQADWXXZKXAQKC-UHFFFAOYSA-N	-1	0	274.280	0.909	20	30		CCEDRM
Cc1nc(C#N)cnc1[N-]S(=O)(=O)c1ccccn1	ZINC001259281781	808747983	/nfs/dbraw/zinc/74/79/83/808747983.db2.gz	HMGATFCBBKVESU-UHFFFAOYSA-N	-1	0	275.293	0.853	20	30		CCEDRM
C=CCS(=O)(=O)[N-]c1ncc(Cl)nc1C(=O)OC	ZINC001259922364	808804002	/nfs/dbraw/zinc/80/40/02/808804002.db2.gz	CRQMOBYTFAVNQY-UHFFFAOYSA-N	-1	0	291.716	0.844	20	30		CCEDRM
CC(C)C[C@H](Nc1nccnc1CC(=O)[O-])C(=O)NO	ZINC001163420507	802554891	/nfs/dbraw/zinc/55/48/91/802554891.db2.gz	UWWLVQKUUNMHDS-VIFPVBQESA-N	-1	0	282.300	0.436	20	30		CCEDRM
COc1cnc(N[C@@H]2SC(=O)[N-]C2=O)c(C#N)c1	ZINC001163662277	802584994	/nfs/dbraw/zinc/58/49/94/802584994.db2.gz	MOTSYXQAIWLHFL-SECBINFHSA-N	-1	0	264.266	0.683	20	30		CCEDRM
N#Cc1ncc(N[C@@H]2SC(=O)[N-]C2=O)cc1[N+](=O)[O-]	ZINC001163667660	802588609	/nfs/dbraw/zinc/58/86/09/802588609.db2.gz	YYNJISYFQOMCNG-MRVPVSSYSA-N	-1	0	279.237	0.582	20	30		CCEDRM
N#Cc1c(N)nn(-c2ccc(F)c(C(=O)[O-])c2F)c1N	ZINC001215270260	803787875	/nfs/dbraw/zinc/78/78/75/803787875.db2.gz	RAZGFFQQVOMHNF-UHFFFAOYSA-N	-1	0	279.206	0.885	20	30		CCEDRM
C=CCC[C@H](NC(=O)N[C@@H]1CO[C@@H](C)C1)C(=O)[O-]	ZINC000401939581	803807801	/nfs/dbraw/zinc/80/78/01/803807801.db2.gz	RFXYYGCEHJKICN-GUBZILKMSA-N	-1	0	256.302	0.882	20	30		CCEDRM
N#CN=C(NC([O-])=C(N)C(F)(F)F)c1ccncc1	ZINC001219972834	804461846	/nfs/dbraw/zinc/46/18/46/804461846.db2.gz	XHIMLYRRPWSNJT-ZETCQYMHSA-N	-1	0	271.202	0.315	20	30		CCEDRM
C=CCOC[C@@H](CS(=O)(=O)[O-])OCCn1cccc1	ZINC001224888918	805089612	/nfs/dbraw/zinc/08/96/12/805089612.db2.gz	SDDFQIJGJPROBH-LBPRGKRZSA-N	-1	0	289.353	0.964	20	30		CCEDRM
C=CCOC[C@@H](CS(=O)(=O)[O-])Oc1ccncn1	ZINC001225586963	805143298	/nfs/dbraw/zinc/14/32/98/805143298.db2.gz	FDARZVXBUWZSAK-VIFPVBQESA-N	-1	0	274.298	0.314	20	30		CCEDRM
N#Cc1ccc(OC(=O)[C@@H](O)CC(=O)[O-])c(Cl)c1	ZINC001225727366	805153325	/nfs/dbraw/zinc/15/33/25/805153325.db2.gz	PBWYVKXMOKCIHD-QMMMGPOBSA-N	-1	0	269.640	0.953	20	30		CCEDRM
CN1CCO[C@H](COc2[n-]c(=O)c(F)cc2C#N)C1	ZINC001226008577	805185993	/nfs/dbraw/zinc/18/59/93/805185993.db2.gz	JEJPFIVZYVMULZ-VIFPVBQESA-N	-1	0	267.260	0.507	20	30		CCEDRM
CC(C)(C)c1ccc(C#N)c(OC(=O)[C@H](O)CC(=O)[O-])n1	ZINC001226547787	805244647	/nfs/dbraw/zinc/24/46/47/805244647.db2.gz	YXYGCODIPXFLIW-SECBINFHSA-N	-1	0	292.291	0.992	20	30		CCEDRM
C#C[C@H](Oc1[n-]c(=O)nc2[nH]ccc21)C(=O)OCC	ZINC001227270733	805339295	/nfs/dbraw/zinc/33/92/95/805339295.db2.gz	JQKPMMKUTBBNMA-QMMMGPOBSA-N	-1	0	261.237	0.607	20	30		CCEDRM
C=C(C)C(=O)OC[C@@H](C)Oc1nc(=O)[n-]c(=O)[nH]1	ZINC001227565783	805364266	/nfs/dbraw/zinc/36/42/66/805364266.db2.gz	BTVUAEYKGIYUCD-ZCFIWIBFSA-N	-1	0	255.230	0.169	20	30		CCEDRM
C=C[C@@H]1O[C@@H](Oc2nc(=O)[n-]c(=O)[nH]2)[C@H]2OC(C)(C)O[C@@H]12	ZINC001227571894	805367364	/nfs/dbraw/zinc/36/73/64/805367364.db2.gz	ZJEHAIFDIDHTFZ-XAMCCFCMSA-N	-1	0	297.267	0.093	20	30		CCEDRM
N#Cc1ccc2c(cccc2OC(=O)[C@H](O)CC(=O)[O-])n1	ZINC001227798588	805391220	/nfs/dbraw/zinc/39/12/20/805391220.db2.gz	RTBORKWPNLCYEF-LLVKDONJSA-N	-1	0	286.243	0.847	20	30		CCEDRM
Cc1cc(OC(=O)[C@@H](O)CC(=O)[O-])c(C)cc1C#N	ZINC001228147001	805420033	/nfs/dbraw/zinc/42/00/33/805420033.db2.gz	IORXQUIDGAKJRF-JTQLQIEISA-N	-1	0	263.249	0.916	20	30		CCEDRM
Cn1cnc2nc(=O)[n-]c(O[C@H]3CCN(CC#N)C3)c21	ZINC001228675809	805467030	/nfs/dbraw/zinc/46/70/30/805467030.db2.gz	YFHGHLHTQCOMQG-QMMMGPOBSA-N	-1	0	274.284	0.046	20	30		CCEDRM
C=CCOC[C@@H](CS(=O)(=O)[O-])Oc1cncc(O)c1	ZINC001228891416	805487017	/nfs/dbraw/zinc/48/70/17/805487017.db2.gz	FXZCFAXAAQJQAU-NSHDSACASA-N	-1	0	289.309	0.625	20	30		CCEDRM
C#CCCc1cc(=O)n(-c2ncnc3[nH]cnc32)[n-]1	ZINC001245952224	807102633	/nfs/dbraw/zinc/10/26/33/807102633.db2.gz	UYWGBLIMDUMAMV-UHFFFAOYSA-N	-1	0	254.253	0.810	20	30		CCEDRM
C#CC[C@H](NC(=O)CCNC(=O)c1ccsc1)C(=O)[O-]	ZINC000149581499	815138984	/nfs/dbraw/zinc/13/89/84/815138984.db2.gz	YAFXXOOJWFVRGY-JTQLQIEISA-N	-1	0	294.332	0.461	20	30		CCEDRM
N#Cc1cncc(C[N-]S(=O)(=O)CC(F)(F)F)c1	ZINC001253235220	808039312	/nfs/dbraw/zinc/03/93/12/808039312.db2.gz	NIWAPZGWVZMTER-UHFFFAOYSA-N	-1	0	279.243	0.935	20	30		CCEDRM
N#CC1([N-]S(=O)(=O)CC(F)(F)F)CCOCC1	ZINC001253245892	808039559	/nfs/dbraw/zinc/03/95/59/808039559.db2.gz	SXVUQBLJPAAUGA-UHFFFAOYSA-N	-1	0	272.248	0.541	20	30		CCEDRM
Cn1cnc(S(=O)(=O)[N-]c2cnccc2C#N)c1	ZINC001258993438	808708980	/nfs/dbraw/zinc/70/89/80/808708980.db2.gz	RUKKTCLNTAOSRW-UHFFFAOYSA-N	-1	0	263.282	0.488	20	30		CCEDRM
Cn1cnc(S(=O)(=O)[N-]c2cc(C#N)c(F)cc2O)c1	ZINC001258999900	808711644	/nfs/dbraw/zinc/71/16/44/808711644.db2.gz	BWLDRAGEEWFSMV-UHFFFAOYSA-N	-1	0	296.283	0.937	20	30		CCEDRM
COC(=O)CS(=O)(=O)[N-]c1cc(C#N)ccc1OC	ZINC001259025946	808722910	/nfs/dbraw/zinc/72/29/10/808722910.db2.gz	FABRATAKDXKXQD-UHFFFAOYSA-N	-1	0	284.293	0.482	20	30		CCEDRM
Cn1cc(S(=O)(=O)[N-]c2ccc(C#N)cc2O)cn1	ZINC001259826669	808779630	/nfs/dbraw/zinc/77/96/30/808779630.db2.gz	HOQRLQYHQQCPNP-UHFFFAOYSA-N	-1	0	278.293	0.798	20	30		CCEDRM
C=CCS(=O)(=O)[N-]c1nc(OC)nc(OC)c1C	ZINC001259923728	808805446	/nfs/dbraw/zinc/80/54/46/808805446.db2.gz	YGJBIWNEKFQBJY-UHFFFAOYSA-N	-1	0	273.314	0.730	20	30		CCEDRM
N#Cc1cnn2c1ncc(C#N)c2[N-]S(=O)(=O)C(F)F	ZINC001259950743	808819276	/nfs/dbraw/zinc/81/92/76/808819276.db2.gz	GAQKEEZIDGDHHS-UHFFFAOYSA-N	-1	0	298.234	0.437	20	30		CCEDRM
COC(=O)c1scc(C#N)c1[N-]S(N)(=O)=O	ZINC001260074522	808840104	/nfs/dbraw/zinc/84/01/04/808840104.db2.gz	KTKWWYFNJDQVGH-UHFFFAOYSA-N	-1	0	261.284	0.022	20	30		CCEDRM
NS(=O)(=O)[N-]CC(F)(F)C(F)(F)C(F)(F)F	ZINC001260082120	808848742	/nfs/dbraw/zinc/84/87/42/808848742.db2.gz	NZTZPCHLKAQZQE-UHFFFAOYSA-N	-1	0	278.149	0.612	20	30		CCEDRM
C=C1CCC(CNC(=O)C(=O)[N-]OC[C@H]2CCOC2)CC1	ZINC001262312311	809273632	/nfs/dbraw/zinc/27/36/32/809273632.db2.gz	YOUCHFDDXSLCSC-ZDUSSCGKSA-N	-1	0	296.367	0.933	20	30		CCEDRM
C=C[C@H](COC)NS(=O)(=O)c1cc(C(=O)[O-])n(C)c1	ZINC001262496547	809321412	/nfs/dbraw/zinc/32/14/12/809321412.db2.gz	HPEFCPNBKUYGPP-MRVPVSSYSA-N	-1	0	288.325	0.203	20	30		CCEDRM
C[C@H]1CCC[C@@H]1CNc1[n-]c(=O)n(C)c(=O)c1C#N	ZINC001262695134	809397918	/nfs/dbraw/zinc/39/79/18/809397918.db2.gz	RKNKOSVYGFQIAB-DTWKUNHWSA-N	-1	0	262.313	0.793	20	30		CCEDRM
C[C@H]1CCC[C@H]1CNc1[n-]c(=O)n(C)c(=O)c1C#N	ZINC001262695135	809397972	/nfs/dbraw/zinc/39/79/72/809397972.db2.gz	RKNKOSVYGFQIAB-IUCAKERBSA-N	-1	0	262.313	0.793	20	30		CCEDRM
CNC(=O)C(C#N)=C([O-])c1c2c(nn1C)CCSC2	ZINC001263296669	809504507	/nfs/dbraw/zinc/50/45/07/809504507.db2.gz	MMCJUIDJJHNLEJ-SSDOTTSWSA-N	-1	0	278.337	0.278	20	30		CCEDRM
Cn1ccnc1C([O-])=C(C#N)C(=O)c1cc2n(n1)CCCO2	ZINC001263380925	809515187	/nfs/dbraw/zinc/51/51/87/809515187.db2.gz	FKBVYPMRMKZUON-SECBINFHSA-N	-1	0	299.290	0.604	20	30		CCEDRM
Cc1ccc(C#N)c(N[C@H]2C[C@H](NC(=O)c3cn[nH]n3)C2)n1	ZINC001059458275	814318446	/nfs/dbraw/zinc/31/84/46/814318446.db2.gz	DVXSMBKSYVDVHN-XYPYZODXSA-N	-1	0	297.322	0.753	20	30		CCEDRM
N#CC(C(=O)NC1CC1)=C([O-])c1cc(C2CC2)[nH]n1	ZINC000129501828	815643270	/nfs/dbraw/zinc/64/32/70/815643270.db2.gz	WYGUGQIQNDIHFT-VIFPVBQESA-N	-1	0	258.281	0.888	20	30		CCEDRM
C=CCOC[C@@H](CS(=O)(=O)[O-])OCCC(=O)OCC	ZINC001205072995	816274454	/nfs/dbraw/zinc/27/44/54/816274454.db2.gz	ZLNNSLMOMTVLSG-JTQLQIEISA-N	-1	0	296.341	0.415	20	30		CCEDRM
N#Cc1ccc([O-])c(NC(=O)CN2CCCC2=O)c1	ZINC000176399392	816469290	/nfs/dbraw/zinc/46/92/90/816469290.db2.gz	PTSROKCCMXXSCQ-UHFFFAOYSA-N	-1	0	259.265	0.825	20	30		CCEDRM
CC(C)(CC#N)CNS(=O)(=O)c1c[nH]c(C(=O)[O-])c1	ZINC000315460363	816552818	/nfs/dbraw/zinc/55/28/18/816552818.db2.gz	SVSZFNAYWFLZIV-UHFFFAOYSA-N	-1	0	285.325	0.931	20	30		CCEDRM
C=CCNC(=O)C(C#N)=C([O-])c1coc(S(C)(=O)=O)c1	ZINC001122424744	816691031	/nfs/dbraw/zinc/69/10/31/816691031.db2.gz	VQQKDBNHJYFCMJ-VIFPVBQESA-N	-1	0	296.304	0.308	20	30		CCEDRM
C=CCOC[C@H](NC(=O)[C@H]1CCOC(C)(C)C1)C(=O)[O-]	ZINC001123380098	816945805	/nfs/dbraw/zinc/94/58/05/816945805.db2.gz	KVOKRPHKQOOTJS-QWRGUYRKSA-N	-1	0	285.340	0.964	20	30		CCEDRM
C=C[C@@H]1OCC[C@H]1C(=O)[N-]S(=O)(=O)N(CC)CC	ZINC001117783358	818698658	/nfs/dbraw/zinc/69/86/58/818698658.db2.gz	YKUOTFGSLPVBFM-ZJUUUORDSA-N	-1	0	276.358	0.280	20	30		CCEDRM
C#CCO[N-]C(=O)[C@H]1CS[C@]2(C)CCC(=O)N12	ZINC000700567688	818804341	/nfs/dbraw/zinc/80/43/41/818804341.db2.gz	SKBHQLISCNLLPQ-LDYMZIIASA-N	-1	0	254.311	0.121	20	30		CCEDRM
Cc1nc(C#N)c(-n2[n-]c([C@@H]3CCOC3)cc2=O)o1	ZINC001119064775	821045375	/nfs/dbraw/zinc/04/53/75/821045375.db2.gz	BKVMMNLQLXGINR-MRVPVSSYSA-N	-1	0	260.253	0.984	20	30		CCEDRM
C=CC[C@H](NC(=O)[C@@H]1CCc2cnn(C)c2C1)C(=O)[O-]	ZINC001119645615	821408176	/nfs/dbraw/zinc/40/81/76/821408176.db2.gz	WPUIVZXWZXKUEF-KOLCDFICSA-N	-1	0	277.324	0.671	20	30		CCEDRM
C[C@H]1C[C@H](C(=O)[N-]S(=O)(=O)CC2(C#N)CC2)CO1	ZINC000793203941	837407279	/nfs/dbraw/zinc/40/72/79/837407279.db2.gz	HWTJRGBVQRYLQZ-IUCAKERBSA-N	-1	0	272.326	0.161	20	30		CCEDRM
O=C(CCC(=O)N1CC[C@@H](O)[C@@H](CO)C1)C1=CC=C[CH]1	ZINC001184245033	844187950	/nfs/dbraw/zinc/18/79/50/844187950.db2.gz	NMQWQYUSKHMGDH-TZMCWYRMSA-N	-1	0	278.328	0.238	20	30		CCEDRM
CCCC#CC(=O)NC(=N)SCCS(=O)(=O)[O-]	ZINC001184275595	844204294	/nfs/dbraw/zinc/20/42/94/844204294.db2.gz	DVIUWOJOANKXQG-UHFFFAOYSA-N	-1	0	278.355	0.462	20	30		CCEDRM
C#CCCCCC(=O)N1CCN(Cc2n[nH]c(=O)[n-]2)CC1	ZINC001112773995	836906490	/nfs/dbraw/zinc/90/64/90/836906490.db2.gz	DCZJSPZWJZBREE-UHFFFAOYSA-N	-1	0	291.355	0.348	20	30		CCEDRM
C=C[C@H](C)[C@H](C)C(=O)N1CCN(Cc2n[nH]c(=O)[n-]2)CC1	ZINC001113229043	837061952	/nfs/dbraw/zinc/06/19/52/837061952.db2.gz	BQVLUFPRGPVDGM-QWRGUYRKSA-N	-1	0	293.371	0.613	20	30		CCEDRM
CC#CC(=O)Nc1ccc([O-])c(S(N)(=O)=O)c1	ZINC001137940792	837942940	/nfs/dbraw/zinc/94/29/40/837942940.db2.gz	LSUVEIMERKVEHN-UHFFFAOYSA-N	-1	0	254.267	0.001	20	30		CCEDRM
N#Cc1c(F)c(F)c([N-][C@H](C#N)C(N)=O)c(F)c1F	ZINC001170534923	837983564	/nfs/dbraw/zinc/98/35/64/837983564.db2.gz	DSNQULRTJHJFSQ-SCSAIBSYSA-N	-1	0	272.161	0.904	20	30		CCEDRM
COc1ccc(S(=O)(=O)NCCS)cc1C(=O)[O-]	ZINC001185320427	844395801	/nfs/dbraw/zinc/39/58/01/844395801.db2.gz	MQOJPGRXHOPUJO-UHFFFAOYSA-N	-1	0	291.350	0.602	20	30		CCEDRM
C=CCNC(=O)c1nc[n-]c(=O)c1Br	ZINC001135653935	839342690	/nfs/dbraw/zinc/34/26/90/839342690.db2.gz	QGEXPHHOJIEDRP-UHFFFAOYSA-N	-1	0	258.075	0.861	20	30		CCEDRM
CC(C)C[C@H](C#N)NC(=O)CCCn1c(=O)[n-][nH]c1=O	ZINC001136527746	839647825	/nfs/dbraw/zinc/64/78/25/839647825.db2.gz	IGGRNYBMXQDEES-SECBINFHSA-N	-1	0	281.316	0.524	20	30		CCEDRM
C#CC(=O)Nc1cccc2c(=O)cc(-c3nnn[n-]3)oc12	ZINC001143908243	839891182	/nfs/dbraw/zinc/89/11/82/839891182.db2.gz	GYWMMSBKHKEPSR-UHFFFAOYSA-N	-1	0	281.231	0.545	20	30		CCEDRM
C=C(C)CO[N-]C(=O)CNC(=O)c1ccc(C#N)cc1	ZINC001144640330	840106416	/nfs/dbraw/zinc/10/64/16/840106416.db2.gz	ROZAQIQWJXEBPE-UHFFFAOYSA-N	-1	0	273.292	0.912	20	30		CCEDRM
C=CCCOCCNC(=O)NC[C@@H](CC)C(=O)[O-]	ZINC000231837818	840132964	/nfs/dbraw/zinc/13/29/64/840132964.db2.gz	YHFJHDAKKTYSPN-SNVBAGLBSA-N	-1	0	258.318	0.989	20	30		CCEDRM
C[C@@H](C#N)c1cccc(C(=O)NCS(=O)(=O)[O-])c1	ZINC001148621992	840869513	/nfs/dbraw/zinc/86/95/13/840869513.db2.gz	IJUPXKXDIAQSJK-QMMMGPOBSA-N	-1	0	268.294	0.889	20	30		CCEDRM
CC(C)C[C@H](NS(=O)(=O)c1ccco1)C(=O)NO	ZINC001186886380	844611055	/nfs/dbraw/zinc/61/10/55/844611055.db2.gz	HSFWTDISIIJVPW-QMMMGPOBSA-N	-1	0	276.314	0.478	20	30		CCEDRM
N#Cc1ccnnc1[N-]S(=O)(=O)c1ccco1	ZINC001186820758	844606054	/nfs/dbraw/zinc/60/60/54/844606054.db2.gz	VFFQSLJHZCXGQT-UHFFFAOYSA-N	-1	0	250.239	0.742	20	30		CCEDRM
Cc1ccc(S(=O)(=O)NCCCCC#N)nn1	ZINC000712808942	841111744	/nfs/dbraw/zinc/11/17/44/841111744.db2.gz	JMVRMRWTIINENW-UHFFFAOYSA-N	-1	0	254.315	0.757	20	30		CCEDRM
C=C(Br)CNC(=O)[C@H](OC)C(=O)[O-]	ZINC000713190198	841120705	/nfs/dbraw/zinc/12/07/05/841120705.db2.gz	OLQOVVYNYSZGRL-YFKPBYRVSA-N	-1	0	252.064	0.111	20	30		CCEDRM
C#CC[C@@H](COC)NS(=O)(=O)c1ccccc1[O-]	ZINC000716332290	841647876	/nfs/dbraw/zinc/64/78/76/841647876.db2.gz	FWEGDRNNKHDMCN-JTQLQIEISA-N	-1	0	269.322	0.709	20	30		CCEDRM
N#Cc1c(N)nn(-c2ccc(F)c(C(=O)[O-])c2)c1N	ZINC001175217982	842234470	/nfs/dbraw/zinc/23/44/70/842234470.db2.gz	ZRNXGFDHEFPNAM-UHFFFAOYSA-N	-1	0	261.216	0.746	20	30		CCEDRM
Cn1cc2c(cccc2NC(=N[O-])c2nonc2N)n1	ZINC001175589787	842259524	/nfs/dbraw/zinc/25/95/24/842259524.db2.gz	XTVYWKCPKYKXKI-UHFFFAOYSA-N	-1	0	273.256	0.786	20	30		CCEDRM
C#Cc1cc(NC(=O)c2ccn(C)c2CC(=O)[O-])ccn1	ZINC001177361362	842566630	/nfs/dbraw/zinc/56/66/30/842566630.db2.gz	VEGVOQJNIWZIKQ-UHFFFAOYSA-N	-1	0	283.287	0.703	20	30		CCEDRM
C[C@H](C#N)C(=O)Nc1ccc2c(c1)S(=O)(=O)[N-]C2=O	ZINC001179895597	843070463	/nfs/dbraw/zinc/07/04/63/843070463.db2.gz	SAVXOGQSRBRSLF-ZCFIWIBFSA-N	-1	0	279.277	0.217	20	30		CCEDRM
C=CCOC[C@@H](CS(=O)(=O)[O-])O[C@H](C)C(=O)OCC	ZINC001204260548	843101251	/nfs/dbraw/zinc/10/12/51/843101251.db2.gz	QZMYGZDMBGJSGA-ZJUUUORDSA-N	-1	0	296.341	0.414	20	30		CCEDRM
N#C[C@H]1COCCN1C(=O)C1(C(=O)[O-])CCCCC1	ZINC001180438206	843167010	/nfs/dbraw/zinc/16/70/10/843167010.db2.gz	KGVNPXQLRXTRKL-JTQLQIEISA-N	-1	0	266.297	0.772	20	30		CCEDRM
COc1ccc(C#CC(=O)N[C@@H]2SC(=O)[N-]C2=O)cc1	ZINC001182048273	843697861	/nfs/dbraw/zinc/69/78/61/843697861.db2.gz	ITMGUYSIKPEQBD-GFCCVEGCSA-N	-1	0	290.300	0.472	20	30		CCEDRM
CCOC(=O)c1nc(NC(=O)C#CCOC)c[nH]1	ZINC001187123347	844653858	/nfs/dbraw/zinc/65/38/58/844653858.db2.gz	RWPHFWBUXSYVFY-UHFFFAOYSA-N	-1	0	251.242	0.175	20	30		CCEDRM
C#Cc1ccc(C(=O)N[C@@H]2SC(=O)[N-]C2=O)cc1	ZINC001188738988	844964798	/nfs/dbraw/zinc/96/47/98/844964798.db2.gz	BYRLNTWJXMTIKP-LLVKDONJSA-N	-1	0	260.274	0.707	20	30		CCEDRM
N#Cc1c[n-]c(=O)n(CC(=O)c2c[nH]c3ccccc23)c1=O	ZINC001189567647	845171540	/nfs/dbraw/zinc/17/15/40/845171540.db2.gz	VZUXDDKIINNUCX-UHFFFAOYSA-N	-1	0	294.270	0.772	20	30		CCEDRM
Cc1nc(C#N)cnc1[N-]S(=O)(=O)CCCF	ZINC001189870321	845237309	/nfs/dbraw/zinc/23/73/09/845237309.db2.gz	RYZXBXDXERFJQL-UHFFFAOYSA-N	-1	0	258.278	0.758	20	30		CCEDRM
COCCNS(=O)(=O)c1cc(C#N)ccc1F	ZINC001190607810	845444278	/nfs/dbraw/zinc/44/42/78/845444278.db2.gz	AUOJTXZPKRQKSG-UHFFFAOYSA-N	-1	0	258.274	0.622	20	30		CCEDRM
N#Cc1ccc(O)c([N-]S(=O)(=O)c2ncc[nH]2)c1	ZINC001190721552	845477120	/nfs/dbraw/zinc/47/71/20/845477120.db2.gz	JQIKNZQCYNSPRG-UHFFFAOYSA-N	-1	0	264.266	0.788	20	30		CCEDRM
N#Cc1cc([N-]S(=O)(=O)c2ccncc2)ccn1	ZINC001190854564	845523597	/nfs/dbraw/zinc/52/35/97/845523597.db2.gz	SMJZORBQOWDATA-UHFFFAOYSA-N	-1	0	260.278	0.571	20	30		CCEDRM
CC(C)(C#N)c1cccc(C(=O)N[C@@H]2CO[N-]C2=O)c1	ZINC001190942631	845540605	/nfs/dbraw/zinc/54/06/05/845540605.db2.gz	KKTFXUSZJUWZHU-LLVKDONJSA-N	-1	0	273.292	0.648	20	30		CCEDRM
C#Cc1ccccc1C(=O)N[C@H]1SC(=O)[N-]C1=O	ZINC001191116986	845584910	/nfs/dbraw/zinc/58/49/10/845584910.db2.gz	RFCZMOBGAHZBON-NSHDSACASA-N	-1	0	260.274	0.707	20	30		CCEDRM
N#CCS(=O)(=O)[N-]c1cc(Cl)ncc1CO	ZINC001192943034	845929936	/nfs/dbraw/zinc/92/99/36/845929936.db2.gz	HKJBOYINVYMTRS-UHFFFAOYSA-N	-1	0	261.690	0.493	20	30		CCEDRM
N#CCS(=O)(=O)[N-]c1cncc(N2CCOCC2)c1	ZINC001192952033	845934408	/nfs/dbraw/zinc/93/44/08/845934408.db2.gz	VUWABSIHYKJEGC-UHFFFAOYSA-N	-1	0	282.325	0.183	20	30		CCEDRM
CNC(=O)c1ccc([N-]S(=O)(=O)CC#N)cc1	ZINC001192928487	845938201	/nfs/dbraw/zinc/93/82/01/845938201.db2.gz	CGHKAIGZVWJRLY-UHFFFAOYSA-N	-1	0	253.283	0.311	20	30		CCEDRM
N#CCS(=O)(=O)[N-]c1ccc2nsnc2c1	ZINC001192929062	845938524	/nfs/dbraw/zinc/93/85/24/845938524.db2.gz	NXDODWIRAIUOOB-UHFFFAOYSA-N	-1	0	254.296	0.957	20	30		CCEDRM
CN1Cc2c(cccc2[N-]S(=O)(=O)CC#N)C1=O	ZINC001192986126	845945300	/nfs/dbraw/zinc/94/53/00/845945300.db2.gz	VDYLXSVKURUWCF-UHFFFAOYSA-N	-1	0	265.294	0.537	20	30		CCEDRM
COc1ccc(C(N)=O)cc1[N-]S(=O)(=O)CC#N	ZINC001192980329	845962585	/nfs/dbraw/zinc/96/25/85/845962585.db2.gz	GWNXLWFVGYXDET-UHFFFAOYSA-N	-1	0	269.282	0.059	20	30		CCEDRM
C[C@@H](C#N)S(=O)(=O)[N-]c1cnc(OCC2CC2)nc1	ZINC001193112432	845980420	/nfs/dbraw/zinc/98/04/20/845980420.db2.gz	SYDSLJKXGUDIJX-QMMMGPOBSA-N	-1	0	282.325	0.919	20	30		CCEDRM
C[C@H](C#N)S(=O)(=O)[N-]c1cc2n(n1)CC(C)(C)CO2	ZINC001193111433	845981091	/nfs/dbraw/zinc/98/10/91/845981091.db2.gz	GZFBUTJZEHPRKF-MRVPVSSYSA-N	-1	0	284.341	0.955	20	30		CCEDRM
C[C@H](C#N)S(=O)(=O)[N-]c1ccnn1Br	ZINC001193112403	845981412	/nfs/dbraw/zinc/98/14/12/845981412.db2.gz	SSRHCINHAFKZQK-RXMQYKEDSA-N	-1	0	279.119	0.695	20	30		CCEDRM
C[C@H](C#N)S(=O)(=O)[N-]c1cccc(F)c1CO	ZINC001193149719	846005941	/nfs/dbraw/zinc/00/59/41/846005941.db2.gz	RQISTDSSGJWMDH-SSDOTTSWSA-N	-1	0	258.274	0.972	20	30		CCEDRM
CNC(=O)c1ccc(F)c([N-]S(=O)(=O)[C@@H](C)C#N)c1	ZINC001193151796	846006368	/nfs/dbraw/zinc/00/63/68/846006368.db2.gz	UFKMEPYOLZMWBN-ZETCQYMHSA-N	-1	0	285.300	0.839	20	30		CCEDRM
C[C@@H](C#N)S(=O)(=O)[N-]c1cccc2c1C(=O)NCC2	ZINC001193159009	846008526	/nfs/dbraw/zinc/00/85/26/846008526.db2.gz	YINWPEOQLLLIBI-QMMMGPOBSA-N	-1	0	279.321	0.626	20	30		CCEDRM
C[C@@H](C#N)S(=O)(=O)[N-]c1ccc(C(N)=O)c(O)c1	ZINC001193162383	846009639	/nfs/dbraw/zinc/00/96/39/846009639.db2.gz	YLCYJVMBWHTJFO-LURJTMIESA-N	-1	0	269.282	0.145	20	30		CCEDRM
Cn1ncc([N-]S(=O)(=O)CC2CCC2)c1C#N	ZINC001193478669	846089162	/nfs/dbraw/zinc/08/91/62/846089162.db2.gz	GKKOXFXCHGNNRS-UHFFFAOYSA-N	-1	0	254.315	0.834	20	30		CCEDRM
N#Cc1cc(C(=O)N2CC(N3CC(F)C3)C2)ccc1[O-]	ZINC001193494685	846093496	/nfs/dbraw/zinc/09/34/96/846093496.db2.gz	NGWOXLLGAIKVQG-UHFFFAOYSA-N	-1	0	275.283	0.742	20	30		CCEDRM
N#Cc1cc(C(=O)N2CCN(C(N)=O)CC2)ccc1[O-]	ZINC001193503877	846099232	/nfs/dbraw/zinc/09/92/32/846099232.db2.gz	HZMNMNLHAXUJGW-UHFFFAOYSA-N	-1	0	274.280	0.100	20	30		CCEDRM
C[C@H]1C(=O)NCCN1C(=O)c1ccc([O-])c(C#N)c1	ZINC001193504543	846101819	/nfs/dbraw/zinc/10/18/19/846101819.db2.gz	TYHLBEBZZLDOAD-QMMMGPOBSA-N	-1	0	259.265	0.224	20	30		CCEDRM
N#Cc1cc(C(=O)NC2(CO)CCOCC2)ccc1[O-]	ZINC001193512643	846103189	/nfs/dbraw/zinc/10/31/89/846103189.db2.gz	QUYDAJFRTOVCGS-UHFFFAOYSA-N	-1	0	276.292	0.535	20	30		CCEDRM
CC(=O)N1C[C@@H]2C[C@]2(NC(=O)c2ccc([O-])c(C#N)c2)C1	ZINC001193512409	846103442	/nfs/dbraw/zinc/10/34/42/846103442.db2.gz	NJRLXEGCDVFIJW-WFASDCNBSA-N	-1	0	285.303	0.614	20	30		CCEDRM
Cn1ccc(CNC(=O)c2cccc(C#N)c2[O-])cc1=O	ZINC001193658133	846140378	/nfs/dbraw/zinc/14/03/78/846140378.db2.gz	UZKJVVXKWIOQNK-UHFFFAOYSA-N	-1	0	283.287	0.893	20	30		CCEDRM
C#CCN(Cc1cc(=O)n2[n-]cc(C#N)c2n1)C1CC1	ZINC001194436218	846301970	/nfs/dbraw/zinc/30/19/70/846301970.db2.gz	SAYXKRPKQKLFTF-UHFFFAOYSA-N	-1	0	267.292	0.904	20	30		CCEDRM
COc1ccc(S(=O)(=O)[N-]c2nnccc2C#N)cn1	ZINC001195694540	846604459	/nfs/dbraw/zinc/60/44/59/846604459.db2.gz	CPZNXNLYMXQXGI-UHFFFAOYSA-N	-1	0	291.292	0.553	20	30		CCEDRM
N#Cc1ccc(C(=O)NCc2cncnc2)c([O-])c1	ZINC001195763867	846613398	/nfs/dbraw/zinc/61/33/98/846613398.db2.gz	DNJDZDOQIBCDTH-UHFFFAOYSA-N	-1	0	254.249	0.984	20	30		CCEDRM
N#Cc1ccc(C(=O)N2CC[C@@H](CO)[C@@H](O)C2)c([O-])c1	ZINC001195740460	846619199	/nfs/dbraw/zinc/61/91/99/846619199.db2.gz	GCWIEPKCLLTEHQ-GWCFXTLKSA-N	-1	0	276.292	0.079	20	30		CCEDRM
Cc1ncc(S(=O)(=O)[N-]c2cnn(C)c2C#N)n1C	ZINC001198360673	847104215	/nfs/dbraw/zinc/10/42/15/847104215.db2.gz	ALTFCKBQOLUWNF-UHFFFAOYSA-N	-1	0	280.313	0.135	20	30		CCEDRM
C=CCOC[C@H](CS(=O)(=O)[O-])OC[C@H](C)CO	ZINC001205962391	848081859	/nfs/dbraw/zinc/08/18/59/848081859.db2.gz	CDAHNKMCVRDYGD-NXEZZACHSA-N	-1	0	268.331	0.090	20	30		CCEDRM
C=CCC1(C(=O)[O-])CN(S(=O)(=O)CCCOC)C1	ZINC000722908298	850166691	/nfs/dbraw/zinc/16/66/91/850166691.db2.gz	NTPRKJORGRKOTP-UHFFFAOYSA-N	-1	0	277.342	0.315	20	30		CCEDRM
C=CCC1(C(=O)[O-])CN(S(=O)(=O)N(C)CCCC)C1	ZINC000722898159	850166815	/nfs/dbraw/zinc/16/68/15/850166815.db2.gz	FQLQJNRMKUWHQO-UHFFFAOYSA-N	-1	0	290.385	0.926	20	30		CCEDRM
N#Cc1ccc(CC(=O)N2CCCC[C@H]2C(=O)[O-])cn1	ZINC000901495782	851724272	/nfs/dbraw/zinc/72/42/72/851724272.db2.gz	OAINGJVUKMBIHE-LBPRGKRZSA-N	-1	0	273.292	0.961	20	30		CCEDRM
CNC(=O)C(C#N)=C([O-])c1ccn(-c2ccccc2)n1	ZINC000133555695	853848297	/nfs/dbraw/zinc/84/82/97/853848297.db2.gz	GXBCRXBFBBJAMC-LLVKDONJSA-N	-1	0	268.276	0.941	20	30		CCEDRM
C#CC[N@@H+](C)CCCNC(=O)N([C@@H](C)C(=O)[O-])C1CC1	ZINC000383442698	853858387	/nfs/dbraw/zinc/85/83/87/853858387.db2.gz	YQSZTCKOQBQPNL-NSHDSACASA-N	-1	0	281.356	0.589	20	30		CCEDRM
C#CC[C@H](NC(=O)c1ccc2c(c1)COC2)C(=O)[O-]	ZINC000149602896	853989318	/nfs/dbraw/zinc/98/93/18/853989318.db2.gz	IXFFQBBRYUSISR-LBPRGKRZSA-N	-1	0	259.261	0.923	20	30		CCEDRM
C#CC[C@@H](NC(=O)c1sc(C)nc1C)C(=O)[O-]	ZINC000149798660	853998492	/nfs/dbraw/zinc/99/84/92/853998492.db2.gz	KHTXMJWJLAPSNN-MRVPVSSYSA-N	-1	0	252.295	0.966	20	30		CCEDRM
C#CC[C@@H](NC(=O)Cc1csc(C)n1)C(=O)[O-]	ZINC000149952587	854010353	/nfs/dbraw/zinc/01/03/53/854010353.db2.gz	GCIPRRVNTPHLHD-SECBINFHSA-N	-1	0	252.295	0.587	20	30		CCEDRM
C=CCOCCCC(=O)[N-]S(=O)(=O)N(CC)CC	ZINC001116161523	855724523	/nfs/dbraw/zinc/72/45/23/855724523.db2.gz	RYGKMZVXVMKMIF-UHFFFAOYSA-N	-1	0	278.374	0.672	20	30		CCEDRM
C=CCS(=O)(=O)[N-]C(=O)c1cc(CC)n(C)n1	ZINC001116524587	855782900	/nfs/dbraw/zinc/78/29/00/855782900.db2.gz	HNRRHXKURNDSLU-UHFFFAOYSA-N	-1	0	257.315	0.228	20	30		CCEDRM
CC(=Cc1cn(C)nn1)c1nc(C)c(C#N)c(=O)[n-]1	ZINC001116857068	855849619	/nfs/dbraw/zinc/84/96/19/855849619.db2.gz	FVJVDJAOERJOMV-QPJJXVBHSA-N	-1	0	256.269	0.639	20	30		CCEDRM
C=CC[C@@H](NC(=O)C1(C(=O)NC)CCC1)C(=O)[O-]	ZINC001116906192	855862064	/nfs/dbraw/zinc/86/20/64/855862064.db2.gz	HLIMLTFWLUQFHN-MRVPVSSYSA-N	-1	0	254.286	0.048	20	30		CCEDRM
C=CC[C@H](NC(=O)C(C)(C)n1cc([N+](=O)[O-])cn1)C(=O)[O-]	ZINC001116922666	855868366	/nfs/dbraw/zinc/86/83/66/855868366.db2.gz	XLKFEUIAWVOKDI-VIFPVBQESA-N	-1	0	296.283	0.672	20	30		CCEDRM
C=CC[C@@H](NC(=O)CN(C)C(=O)OC(C)(C)C)C(=O)[O-]	ZINC001116922189	855868675	/nfs/dbraw/zinc/86/86/75/855868675.db2.gz	OKJHYLAVAZOMSA-SECBINFHSA-N	-1	0	286.328	0.999	20	30		CCEDRM
C#CCN(CC1CC1)C(=O)NCC(=O)[N-]OCC	ZINC001118239966	856219341	/nfs/dbraw/zinc/21/93/41/856219341.db2.gz	BVSKKXTUHVZUQW-UHFFFAOYSA-N	-1	0	253.302	0.109	20	30		CCEDRM
C=CCCn1cc(CN[C@H](COCC)C(=O)[O-])nn1	ZINC001118376471	856277812	/nfs/dbraw/zinc/27/78/12/856277812.db2.gz	KZXDADCQJOUXJL-LLVKDONJSA-N	-1	0	268.317	0.434	20	30		CCEDRM
Cn1[n-]c(C(=O)Nc2ccn(CCC#N)n2)cc1=O	ZINC001118614040	856366499	/nfs/dbraw/zinc/36/64/99/856366499.db2.gz	DJPNNGOXYGBHHZ-UHFFFAOYSA-N	-1	0	260.257	0.488	20	30		CCEDRM
C=CC[C@@H](NC(=O)c1cnc([C@@H](C)O)s1)C(=O)[O-]	ZINC001119643723	856802890	/nfs/dbraw/zinc/80/28/90/856802890.db2.gz	GGLVLQDWZBAWEY-RNFRBKRXSA-N	-1	0	270.310	0.956	20	30		CCEDRM
C=CC[C@H]1CCCN(c2nnnn2CC(=O)[N-]OCC)C1	ZINC001120302221	857032311	/nfs/dbraw/zinc/03/23/11/857032311.db2.gz	XRMZZTURUIWYNK-NSHDSACASA-N	-1	0	294.359	0.533	20	30		CCEDRM
C=CC[C@@H](NC(=O)COC[C@@H]1CCCO1)C(=O)[O-]	ZINC001325145202	913243643	/nfs/dbraw/zinc/24/36/43/913243643.db2.gz	XQSGCNSWQDBBKQ-VHSXEESVSA-N	-1	0	257.286	0.328	20	30		CCEDRM
CC(C)C#CC(=O)NC[C@H]1CCCN1Cc1n[nH]c(=O)[n-]1	ZINC001481039379	892104436	/nfs/dbraw/zinc/10/44/36/892104436.db2.gz	JCTPAXHWCLMWFQ-LLVKDONJSA-N	-1	0	291.355	0.250	20	30		CCEDRM
C=C[C@@H](COC)[N-]S(=O)(=O)c1ncccc1[N+](=O)[O-]	ZINC001327035031	914325656	/nfs/dbraw/zinc/32/56/56/914325656.db2.gz	GRVWAQPKHYXPOC-QMMMGPOBSA-N	-1	0	287.297	0.469	20	30		CCEDRM
N#Cc1cc(C(=O)n2[n-]c3ccnc(=O)c-3c2N)ccn1	ZINC001191559539	900020145	/nfs/dbraw/zinc/02/01/45/900020145.db2.gz	OICNJNOHSNTXPT-UHFFFAOYSA-N	-1	0	280.247	0.214	20	30		CCEDRM
C=CCn1cnc2c1ncnc2[N-]S(=O)(=O)[C@@H](C)C#N	ZINC001193106976	900031614	/nfs/dbraw/zinc/03/16/14/900031614.db2.gz	MWDNRNXMZFLLTG-QMMMGPOBSA-N	-1	0	292.324	0.666	20	30		CCEDRM
C[C@@H](C#N)S(=O)(=O)[N-]C1=C(C#N)C(=O)CS1	ZINC001193107644	900033037	/nfs/dbraw/zinc/03/30/37/900033037.db2.gz	ZDDHHGWFYOTDIC-YFKPBYRVSA-N	-1	0	257.296	0.979	20	30		CCEDRM
CCC[C@@H](C)NC(=O)CCn1cc(C#N)c(=O)[n-]c1=O	ZINC001411661176	901185111	/nfs/dbraw/zinc/18/51/11/901185111.db2.gz	BZXWGOYCILMETQ-SECBINFHSA-N	-1	0	278.312	0.515	20	30		CCEDRM
N#Cc1ccncc1C(=O)N1CCC(c2nnn[n-]2)CC1	ZINC001412483550	901758546	/nfs/dbraw/zinc/75/85/46/901758546.db2.gz	CXBFLDVUACIMGI-UHFFFAOYSA-N	-1	0	283.295	0.486	20	30		CCEDRM
C=CCn1cc(C(=O)N2CC[C@H](OC)C[C@@H]2C(=O)[O-])nn1	ZINC001327496195	914572114	/nfs/dbraw/zinc/57/21/14/914572114.db2.gz	PRNLCPLPFGLXDA-GXSJLCMTSA-N	-1	0	294.311	0.168	20	30		CCEDRM
N#Cc1cccc(C(=O)N2C[C@H]3C[C@@]3(C(N)=O)C2)c1[O-]	ZINC001276215955	901973711	/nfs/dbraw/zinc/97/37/11/901973711.db2.gz	SUMAYAQATAQRFC-YMTOWFKASA-N	-1	0	271.276	0.211	20	30		CCEDRM
Cc1nc(C(=O)N2CC[C@H](c3nnn[n-]3)C2)ccc1C#N	ZINC001413473703	902979257	/nfs/dbraw/zinc/97/92/57/902979257.db2.gz	XBIQJMBDSOIRIQ-JTQLQIEISA-N	-1	0	283.295	0.405	20	30		CCEDRM
C=C[C@H](CC)CC(=O)N[C@H]1C[C@H]([NH2+]Cc2n[nH]c(=O)[n-]2)C1	ZINC001490922944	903262400	/nfs/dbraw/zinc/26/24/00/903262400.db2.gz	LRAKTIQTYDULMV-GMTAPVOTSA-N	-1	0	293.371	0.849	20	30		CCEDRM
C=CCCC[C@H](NC(=O)CO[C@H]1CCOC1)C(=O)[O-]	ZINC001332164431	904065769	/nfs/dbraw/zinc/06/57/69/904065769.db2.gz	BBYAENIWDYYRQE-QWRGUYRKSA-N	-1	0	271.313	0.718	20	30		CCEDRM
C=CCCC(=O)[N-]S(=O)(=O)c1cnc(Cl)n1C	ZINC001331469117	917353399	/nfs/dbraw/zinc/35/33/99/917353399.db2.gz	KXEKQTFPXBKBJM-UHFFFAOYSA-N	-1	0	277.733	0.845	20	30		CCEDRM
C=CCCC[C@@H](NC(=O)c1cnn(C)c1OC)C(=O)[O-]	ZINC001333358781	905991995	/nfs/dbraw/zinc/99/19/95/905991995.db2.gz	NUICWZWNSYEFAZ-SNVBAGLBSA-N	-1	0	281.312	0.968	20	30		CCEDRM
CO[N-]C(=O)CNC(=O)c1ncc(C#N)cc1Cl	ZINC001289429315	906075133	/nfs/dbraw/zinc/07/51/33/906075133.db2.gz	BTJAHVBPVHRCRX-UHFFFAOYSA-N	-1	0	268.660	0.014	20	30		CCEDRM
Cc1cc(C#N)c(=O)[n-]c1C(=O)NCCCCC(N)=O	ZINC001295653626	906780537	/nfs/dbraw/zinc/78/05/37/906780537.db2.gz	GRUJTGFSTGULDO-UHFFFAOYSA-N	-1	0	276.296	0.353	20	30		CCEDRM
C=CC1CCN(c2nnc(-c3cc(=O)[nH][n-]3)n2C)CC1	ZINC001338236549	921404405	/nfs/dbraw/zinc/40/44/05/921404405.db2.gz	KRNIWKQOPLCCLN-UHFFFAOYSA-N	-1	0	274.328	0.442	20	30		CCEDRM
O=S(=O)([N-]CC#CCO)c1c(F)c(F)cc(F)c1F	ZINC001309633358	908470887	/nfs/dbraw/zinc/47/08/87/908470887.db2.gz	IQXGXIKNAVLZCH-UHFFFAOYSA-N	-1	0	297.229	0.517	20	30		CCEDRM
Cc1nnc([S-])n(N=Cc2cccnc2N)c1=O	ZINC001319378073	910121230	/nfs/dbraw/zinc/12/12/30/910121230.db2.gz	XAAWEROZQPLZOL-UHFFFAOYSA-N	-1	0	262.298	0.095	20	30		CCEDRM
Cc1ncncc1C(=O)[N-]S(=O)(=O)CCCC#N	ZINC001319837275	910314437	/nfs/dbraw/zinc/31/44/37/910314437.db2.gz	RVBHODUDJXMADQ-UHFFFAOYSA-N	-1	0	268.298	0.148	20	30		CCEDRM
CC(C)(C#N)CS(=O)(=O)[N-]C(=O)c1ccccn1	ZINC001319951238	910370114	/nfs/dbraw/zinc/37/01/14/910370114.db2.gz	HYTSDFWKBAZOPA-UHFFFAOYSA-N	-1	0	267.310	0.691	20	30		CCEDRM
N#CCSCC(=O)NCCc1n[n-]c(=S)o1	ZINC001321741197	911468773	/nfs/dbraw/zinc/46/87/73/911468773.db2.gz	JYWQBJRUYOAHIF-UHFFFAOYSA-N	-1	0	258.328	0.274	20	30		CCEDRM
C=CC[C@H](NC(=O)[C@@H]1CCc2cncn2C1)C(=O)[O-]	ZINC001339523085	921749967	/nfs/dbraw/zinc/74/99/67/921749967.db2.gz	GSJUCVFHEGZWTH-KOLCDFICSA-N	-1	0	263.297	0.591	20	30		CCEDRM
N#CC1(CC(=O)NCCCC(=O)[O-])CCOCC1	ZINC001328443645	915199772	/nfs/dbraw/zinc/19/97/72/915199772.db2.gz	SHJOQDUXQAFILL-UHFFFAOYSA-N	-1	0	254.286	0.678	20	30		CCEDRM
C=C1CCN(c2nc3c(nc([O-])n(C)c3=O)[nH]2)CC1	ZINC001339577287	921766780	/nfs/dbraw/zinc/76/67/80/921766780.db2.gz	CFUZZAOHRNGJQP-UHFFFAOYSA-N	-1	0	261.285	0.519	20	30		CCEDRM
C#CCN(C(=O)c1c[n-]n2c1nccc2=O)C1CC1	ZINC001329198182	915737407	/nfs/dbraw/zinc/73/74/07/915737407.db2.gz	XVGRVKGRGOHKPQ-UHFFFAOYSA-N	-1	0	256.265	0.260	20	30		CCEDRM
N#Cc1ccc(C(=O)[N-]S(=O)(=O)C(F)F)s1	ZINC001331210497	917184375	/nfs/dbraw/zinc/18/43/75/917184375.db2.gz	XRQZAYFPXUONGE-UHFFFAOYSA-N	-1	0	266.250	0.902	20	30		CCEDRM
CC#CCS(=O)(=O)[N-]C(=O)c1cnc(C(C)C)nc1C	ZINC001331924429	917722813	/nfs/dbraw/zinc/72/28/13/917722813.db2.gz	IKJFCYJAHPJFHL-UHFFFAOYSA-N	-1	0	295.364	0.991	20	30		CCEDRM
C=CC[C@@H](NC(=O)NCCOC[C@H]1CCOC1)C(=O)[O-]	ZINC001332131926	917888085	/nfs/dbraw/zinc/88/80/85/917888085.db2.gz	OZOVEWHWBWRVGM-WDEREUQCSA-N	-1	0	286.328	0.368	20	30		CCEDRM
C=C[C@@H](O)C(=O)N(C)Cc1cc(C(=O)[O-])c(C)o1	ZINC001332132414	917890345	/nfs/dbraw/zinc/89/03/45/917890345.db2.gz	PTVYGOGJUGTMTN-SNVBAGLBSA-N	-1	0	253.254	0.792	20	30		CCEDRM
C=CC[C@@H](NC(=O)NOC[C@H]1CCOC1)C(=O)[O-]	ZINC001332165057	917924665	/nfs/dbraw/zinc/92/46/65/917924665.db2.gz	RTTQIGLYTDJBHQ-DTWKUNHWSA-N	-1	0	258.274	0.283	20	30		CCEDRM
C#CCN1CCN(C(=O)c2cccc(CC(=O)[O-])c2)CC1	ZINC001332204789	917952735	/nfs/dbraw/zinc/95/27/35/917952735.db2.gz	SYWAIYWWJNKJPQ-UHFFFAOYSA-N	-1	0	286.331	0.705	20	30		CCEDRM
N#Cc1nc(NC(=O)c2cccc(=O)[nH]2)[n-]c1C#N	ZINC001332591183	918295047	/nfs/dbraw/zinc/29/50/47/918295047.db2.gz	UBYSQDSMAQDVIW-UHFFFAOYSA-N	-1	0	254.209	0.506	20	30		CCEDRM
C#CCCN1CCN(C(=O)c2ccc(C(=O)[O-])cn2)CC1	ZINC001332653795	918358352	/nfs/dbraw/zinc/35/83/52/918358352.db2.gz	QOOHUNPOUICDDV-UHFFFAOYSA-N	-1	0	287.319	0.561	20	30		CCEDRM
C=CCOC[C@@H](NC(=O)c1ccnc(OC)c1)C(=O)[O-]	ZINC001333334881	918811377	/nfs/dbraw/zinc/81/13/77/918811377.db2.gz	MANHLQOKUHBYQI-SNVBAGLBSA-N	-1	0	280.280	0.476	20	30		CCEDRM
COCCN(CC#N)C(=O)c1ccc2oc(=O)nc-2[n-]1	ZINC001334437289	919583458	/nfs/dbraw/zinc/58/34/58/919583458.db2.gz	UDFPCLCGOHSXCE-UHFFFAOYSA-N	-1	0	276.252	0.541	20	30		CCEDRM
CCCC[C@H](C)N(C)c1[n-]c(=O)n(C)c(=O)c1C#N	ZINC001336634808	920888901	/nfs/dbraw/zinc/88/89/01/920888901.db2.gz	VZXVCBPDOYKPCV-VIFPVBQESA-N	-1	0	264.329	0.960	20	30		CCEDRM
C=CCN(CC=C)c1nnc(-c2cc(=O)[nH][n-]2)n1C	ZINC001339859468	921857548	/nfs/dbraw/zinc/85/75/48/921857548.db2.gz	SDEVUQMFEDEGMA-UHFFFAOYSA-N	-1	0	260.301	0.218	20	30		CCEDRM
C[C@@H](CC#N)N(C)C(=O)c1c[n-]n2c1nccc2=O	ZINC001340106691	921959271	/nfs/dbraw/zinc/95/92/71/921959271.db2.gz	WNXUXAQYQKGKPQ-QMMMGPOBSA-N	-1	0	259.269	0.397	20	30		CCEDRM
N#CC(C(=O)N1CCCC1)=C([O-])c1c[nH]c(C(N)=O)c1	ZINC001342522121	922989153	/nfs/dbraw/zinc/98/91/53/922989153.db2.gz	TXRAQIFJMYDRNP-SECBINFHSA-N	-1	0	274.280	0.058	20	30		CCEDRM
Cn1cnc(C([O-])=C(C#N)c2nnc3n2CCCCC3)n1	ZINC001343386035	923293725	/nfs/dbraw/zinc/29/37/25/923293725.db2.gz	IUZIVGGQRDNIAA-SECBINFHSA-N	-1	0	285.311	0.623	20	30		CCEDRM
C=CC[C@H](NC(=O)CCCC(=O)NCCC)C(=O)[O-]	ZINC001344551900	923634570	/nfs/dbraw/zinc/63/45/70/923634570.db2.gz	HEZGOQUQKMXQOE-JTQLQIEISA-N	-1	0	270.329	0.828	20	30		CCEDRM
C#CC[C@H](NC(=O)[C@@]1([C@H]2CCCCO2)CCCO1)C(=O)[O-]	ZINC001345123742	923798044	/nfs/dbraw/zinc/79/80/44/923798044.db2.gz	XFLQAOKSUDKFGT-ZOWXZIJZSA-N	-1	0	295.335	0.697	20	30		CCEDRM
C=C(C)CCC(=O)N[C@@H](C)C(=O)N[C@H](C)C(=O)[O-]	ZINC001345769241	923971077	/nfs/dbraw/zinc/97/10/77/923971077.db2.gz	PTGZJGMOMNVENA-DTWKUNHWSA-N	-1	0	256.302	0.437	20	30		CCEDRM
CC#CCS(=O)(=O)[N-]C(=O)c1cn2c(cccc2C)n1	ZINC001347360350	924431960	/nfs/dbraw/zinc/43/19/60/924431960.db2.gz	CFLCNLMNWKCHMR-UHFFFAOYSA-N	-1	0	291.332	0.726	20	30		CCEDRM
C#CC1(O)CCN(C(=O)Cc2c(C)nc(C)[nH]c2=O)CC1	ZINC001350563026	925225246	/nfs/dbraw/zinc/22/52/46/925225246.db2.gz	SATGPMGZZMBSIQ-UHFFFAOYSA-N	-1	0	289.335	0.328	20	30		CCEDRM
C=CC1(S(=O)(=O)[N-]C(=O)C[C@@H]2CCC(=O)NC2)CC1	ZINC001352047656	925513866	/nfs/dbraw/zinc/51/38/66/925513866.db2.gz	BYABCUCJMKGZEV-VIFPVBQESA-N	-1	0	286.353	0.067	20	30		CCEDRM
C=CC[C@@H](NC(=O)c1cn(CCC)nn1)C(=O)[O-]	ZINC001354046942	925996444	/nfs/dbraw/zinc/99/64/44/925996444.db2.gz	GZYLTHGQNCGHBY-MRVPVSSYSA-N	-1	0	252.274	0.447	20	30		CCEDRM
CC[C@@H](Nc1[n-]c(=O)n(C)c(=O)c1C#N)c1ncc[nH]1	ZINC001472758320	926137281	/nfs/dbraw/zinc/13/72/81/926137281.db2.gz	LHQAFORQIXWMID-MRVPVSSYSA-N	-1	0	274.284	0.232	20	30		CCEDRM
Cc1c(C([O-])=C(C#N)C(=O)c2nccn2C)nnn1C	ZINC001357598670	926566658	/nfs/dbraw/zinc/56/66/58/926566658.db2.gz	KFGAMGSZPZNPJI-QMMMGPOBSA-N	-1	0	272.268	0.062	20	30		CCEDRM
COC(=O)[C@H](C)N(C)Cc1cc(=O)n2[n-]cc(C#N)c2n1	ZINC001414022431	926856206	/nfs/dbraw/zinc/85/62/06/926856206.db2.gz	LMUCXCBBTAGREM-QMMMGPOBSA-N	-1	0	289.295	0.300	20	30		CCEDRM
Cn1c(=O)[n-]c(NCc2ccc(CO)cc2)c(C#N)c1=O	ZINC001413893694	926950291	/nfs/dbraw/zinc/95/02/91/926950291.db2.gz	NIZQYYNEWHWLMI-UHFFFAOYSA-N	-1	0	286.291	0.050	20	30		CCEDRM
CCN1CCN(C(=O)c2[n-]c(=O)c(C#N)cc2C)CC1	ZINC001361875896	927412011	/nfs/dbraw/zinc/41/20/11/927412011.db2.gz	BDGTWIYIZGTGKC-UHFFFAOYSA-N	-1	0	274.324	0.745	20	30		CCEDRM
CSC[C@H](C)NC(=O)CCn1cc(C#N)c(=O)[n-]c1=O	ZINC001361987343	927500575	/nfs/dbraw/zinc/50/05/75/927500575.db2.gz	DBZXUWNELKYFPI-QMMMGPOBSA-N	-1	0	296.352	0.078	20	30		CCEDRM
CS[C@@H](CO)[C@@H](C)NC(=O)c1[n-]c(=O)c(C#N)cc1C	ZINC001362194995	927718123	/nfs/dbraw/zinc/71/81/23/927718123.db2.gz	FPNUPEVMPJVTPJ-SCZZXKLOSA-N	-1	0	295.364	0.810	20	30		CCEDRM
Cc1ccnc(CNC(=O)c2[n-]c(=O)c(C#N)cc2C)n1	ZINC001362787520	928488903	/nfs/dbraw/zinc/48/89/03/928488903.db2.gz	OVBYVVSNOQRSTQ-UHFFFAOYSA-N	-1	0	283.291	0.996	20	30		CCEDRM
CC(C)[C@@]1(C)C[C@@H]1NC(=O)Cn1cc(C#N)c(=O)[n-]c1=O	ZINC001362821273	928534109	/nfs/dbraw/zinc/53/41/09/928534109.db2.gz	YWGXFJFNIVTLLE-IINYFYTJSA-N	-1	0	290.323	0.371	20	30		CCEDRM
N#CCc1ccc(CNC(=O)CCc2nnn[n-]2)cc1	ZINC001362832247	928548207	/nfs/dbraw/zinc/54/82/07/928548207.db2.gz	AOPYNWZATPDAFI-UHFFFAOYSA-N	-1	0	270.296	0.515	20	30		CCEDRM
Cc1cc(C#N)c(=O)[n-]c1C(=O)N1CCC[C@]1(C)CO	ZINC001362862467	928585553	/nfs/dbraw/zinc/58/55/53/928585553.db2.gz	FKBAXUWQSAJPOC-CQSZACIVSA-N	-1	0	275.308	0.954	20	30		CCEDRM
CC[C@@H](C)CC(=O)NCCn1cc(C#N)c(=O)[n-]c1=O	ZINC001363000946	928746936	/nfs/dbraw/zinc/74/69/36/928746936.db2.gz	LVDBQCFZKQIMBZ-SECBINFHSA-N	-1	0	278.312	0.373	20	30		CCEDRM
Cc1cnc([C@@H](C)Nc2[n-]c(=O)n(C)c(=O)c2C#N)s1	ZINC001363143826	928916976	/nfs/dbraw/zinc/91/69/76/928916976.db2.gz	OYLCLHCPPSVJES-SSDOTTSWSA-N	-1	0	291.336	0.883	20	30		CCEDRM
CC(C)n1cc(Nc2[n-]c(=O)n(C)c(=O)c2C#N)cn1	ZINC001363741580	929537938	/nfs/dbraw/zinc/53/79/38/929537938.db2.gz	AEDMUTATRMLGSO-UHFFFAOYSA-N	-1	0	274.284	0.466	20	30		CCEDRM
Cc1cc(C#N)c(=O)[n-]c1C(=O)NCCc1cncn1C	ZINC001447630362	930672434	/nfs/dbraw/zinc/67/24/34/930672434.db2.gz	JRMFCWWNOZBMJJ-UHFFFAOYSA-N	-1	0	285.307	0.673	20	30		CCEDRM
C#C[C@@H](C)NC(=O)c1ccc(-n2[nH]c(=O)[n-]c2=O)cc1	ZINC001448151338	930837090	/nfs/dbraw/zinc/83/70/90/930837090.db2.gz	FHMKPZCODXEHBL-MRVPVSSYSA-N	-1	0	272.264	0.018	20	30		CCEDRM
C[C@@H](Cc1ccc(C#N)cc1)C(=O)Nn1c(=O)[n-][nH]c1=O	ZINC001450465713	931293043	/nfs/dbraw/zinc/29/30/43/931293043.db2.gz	OUEHBBAZKDHIPL-QMMMGPOBSA-N	-1	0	287.279	0.510	20	30		CCEDRM
CN(CCCCCO)C(=O)[C@](C)(C#N)CC(=O)[O-]	ZINC001610935088	970794743	/nfs/dbraw/zinc/79/47/43/970794743.db2.gz	WIWIZIKCJCSUSE-LBPRGKRZSA-N	-1	0	256.302	0.612	20	30		CCEDRM
CO[C@@H]1CC[C@H](NC(=O)[C@@](C)(C#N)CC(=O)[O-])C1	ZINC001610990556	970830723	/nfs/dbraw/zinc/83/07/23/970830723.db2.gz	BCCHGDFYYSXFLJ-YGOYTEALSA-N	-1	0	254.286	0.675	20	30		CCEDRM
C#CCC[C@H](O)CNC(=O)c1ccc(C(=O)[O-])cc1	ZINC001602675335	971248043	/nfs/dbraw/zinc/24/80/43/971248043.db2.gz	RAQAZCRYHIXZSY-LBPRGKRZSA-N	-1	0	261.277	0.889	20	30		CCEDRM
C#CCN(CC(=O)[O-])C(=O)C(=O)Nc1c(C)cccc1C	ZINC001602679182	971257899	/nfs/dbraw/zinc/25/78/99/971257899.db2.gz	KTMBOQASANKQGY-UHFFFAOYSA-N	-1	0	288.303	0.788	20	30		CCEDRM
C#CCN(CC(=O)[O-])C(=O)Nc1cc(C)nn1C	ZINC001602688204	971288847	/nfs/dbraw/zinc/28/88/47/971288847.db2.gz	GAQZDAZJUFNRCO-UHFFFAOYSA-N	-1	0	250.258	0.280	20	30		CCEDRM
C#CCN(CC(=O)[O-])C(=O)Nc1csc(C(N)=O)c1	ZINC001602688316	971289542	/nfs/dbraw/zinc/28/95/42/971289542.db2.gz	JKIBOOVNPSVNOE-UHFFFAOYSA-N	-1	0	281.293	0.399	20	30		CCEDRM
C#CCN(CC(=O)[O-])C(=O)c1c2c(nn1C)CCSC2	ZINC001602691180	971293649	/nfs/dbraw/zinc/29/36/49/971293649.db2.gz	ALUFXTCZDGNFAH-UHFFFAOYSA-N	-1	0	293.348	0.369	20	30		CCEDRM
C#CCN(CC(=O)[O-])C(=O)c1cc(-c2ccncc2)on1	ZINC001602691283	971294649	/nfs/dbraw/zinc/29/46/49/971294649.db2.gz	FEYZJIGQFNMUKM-UHFFFAOYSA-N	-1	0	285.259	0.897	20	30		CCEDRM
C#CCN(CC(=O)[O-])C(=O)c1c(C)nn2cccnc12	ZINC001602691615	971296738	/nfs/dbraw/zinc/29/67/38/971296738.db2.gz	PDNKKTDIADVVDJ-UHFFFAOYSA-N	-1	0	272.264	0.198	20	30		CCEDRM
C#CCN(CC(=O)[O-])C(=O)c1sc(N(C)C)nc1C	ZINC001602692066	971299701	/nfs/dbraw/zinc/29/97/01/971299701.db2.gz	DADDOSZCKSJIGO-UHFFFAOYSA-N	-1	0	281.337	0.678	20	30		CCEDRM
C#CCN(CC(=O)[O-])C(=O)c1cnc(N(C)C)c(Cl)c1	ZINC001602692038	971299752	/nfs/dbraw/zinc/29/97/52/971299752.db2.gz	BWEXQFXGYTWVNF-UHFFFAOYSA-N	-1	0	295.726	0.961	20	30		CCEDRM
C#CCN(CC(=O)[O-])[C@H](C)C(=O)NC1CCCCC1	ZINC001602695779	971312797	/nfs/dbraw/zinc/31/27/97/971312797.db2.gz	SLSXOTUSTALIEN-LLVKDONJSA-N	-1	0	266.341	0.844	20	30		CCEDRM
C#CCN(CC(=O)[O-])Cc1c[nH]c(C(=O)OC)c1	ZINC001602695454	971307203	/nfs/dbraw/zinc/30/72/03/971307203.db2.gz	GOEDPBJILPDZJH-UHFFFAOYSA-N	-1	0	250.254	0.321	20	30		CCEDRM
C#CCN(CC(=O)[O-])Cc1cc(C)c(C(=O)OC)o1	ZINC001602695668	971310139	/nfs/dbraw/zinc/31/01/39/971310139.db2.gz	ORVWNHFRLKZNEK-UHFFFAOYSA-N	-1	0	265.265	0.894	20	30		CCEDRM
C#CCN(CC(=O)[O-])c1nnc(-c2cncc(C#N)c2)n1C	ZINC001602699257	971317041	/nfs/dbraw/zinc/31/70/41/971317041.db2.gz	QCQPIXYCKJZHEY-UHFFFAOYSA-N	-1	0	296.290	0.273	20	30		CCEDRM
C#CCN(CC(=O)[O-])c1nnc([C@H](O)CC)n1CC1CC1	ZINC001602700722	971320263	/nfs/dbraw/zinc/32/02/63/971320263.db2.gz	FXWCXZJNHQGYEI-LLVKDONJSA-N	-1	0	292.339	0.656	20	30		CCEDRM
C#CCN(CC(=O)[O-])c1nnc([C@H]2CCO[C@@H]2C)n1C	ZINC001602700870	971322274	/nfs/dbraw/zinc/32/22/74/971322274.db2.gz	MECTUKZLPFTYKD-ZJUUUORDSA-N	-1	0	278.312	0.232	20	30		CCEDRM
C#CCN(CC(=O)[O-])c1nnnn1C[C@@H]1CCC[C@H](C)O1	ZINC001602700836	971322782	/nfs/dbraw/zinc/32/27/82/971322782.db2.gz	LICGGUVUJVKSEM-QWRGUYRKSA-N	-1	0	293.327	0.155	20	30		CCEDRM
C=C(C)CONC(=O)N1CCO[C@@](COC)(C(=O)[O-])C1	ZINC001602709506	971346938	/nfs/dbraw/zinc/34/69/38/971346938.db2.gz	DOZAVCIQCLWGAA-LBPRGKRZSA-N	-1	0	288.300	0.006	20	30		CCEDRM
C=C[C@@H](C)ONC(=O)N1CC[C@](COC)(C(=O)[O-])C1	ZINC001602717444	971367235	/nfs/dbraw/zinc/36/72/35/971367235.db2.gz	MPZKPEFOPQRBIW-SKDRFNHKSA-N	-1	0	272.301	0.625	20	30		CCEDRM
C=CCC(F)(F)C(=O)N[C@@H](CCC(=O)OC)C(=O)[O-]	ZINC001602718608	971375471	/nfs/dbraw/zinc/37/54/71/971375471.db2.gz	QMFMVWYKLSKQDD-ZETCQYMHSA-N	-1	0	279.239	0.720	20	30		CCEDRM
C=CCn1cnnc1S[C@@H]1CCN(CC(=O)[O-])C1=O	ZINC001602730869	971409008	/nfs/dbraw/zinc/40/90/08/971409008.db2.gz	HNTQOGZJRSOZDF-MRVPVSSYSA-N	-1	0	282.325	0.242	20	30		CCEDRM
CC#CC[C@@H](CO)NC(=O)NCc1ccc(C(=O)[O-])cc1	ZINC001602735046	971416044	/nfs/dbraw/zinc/41/60/44/971416044.db2.gz	LRNJPFMMYDNUGX-ZDUSSCGKSA-N	-1	0	290.319	0.958	20	30		CCEDRM
CC#CC[C@H](CO)NC(=O)[C@]1(C(=O)[O-])CC=CCC1	ZINC001602735164	971417234	/nfs/dbraw/zinc/41/72/34/971417234.db2.gz	UOJYNLCQIDAVCD-RISCZKNCSA-N	-1	0	265.309	0.688	20	30		CCEDRM
C[C@](C#N)(CC(=O)[O-])C(=O)N1CCC[C@H]2[C@@H]1C(C)(C)[C@H]2O	ZINC001602778189	971510658	/nfs/dbraw/zinc/51/06/58/971510658.db2.gz	CKGHTZRLIFBYER-XDYICZGBSA-N	-1	0	294.351	0.999	20	30		CCEDRM
C[C@@](C#N)(CC(=O)[O-])C(=O)NCC1=CCCOC1	ZINC001602781326	971523416	/nfs/dbraw/zinc/52/34/16/971523416.db2.gz	WSYUACNTFDLJOH-LBPRGKRZSA-N	-1	0	252.270	0.454	20	30		CCEDRM
N#Cc1ccc(CNC(=O)c2cn(CC(=O)[O-])nn2)cc1	ZINC000090719452	949130989	/nfs/dbraw/zinc/13/09/89/949130989.db2.gz	VIZMXOJWOHUTDX-UHFFFAOYSA-N	-1	0	285.263	0.164	20	30		CCEDRM
C#CCN(CC(=O)[O-])C(=O)[C@@H]1CC(c2ccccc2)=NO1	ZINC000092479045	949152331	/nfs/dbraw/zinc/15/23/31/949152331.db2.gz	LTGFVSJHMCESSQ-ZDUSSCGKSA-N	-1	0	286.287	0.726	20	30		CCEDRM
N#CCNC(=O)CN1CC[C@H](C(=O)[O-])c2ccccc21	ZINC000167294851	949457341	/nfs/dbraw/zinc/45/73/41/949457341.db2.gz	AVNUPZHRYQKTHF-NSHDSACASA-N	-1	0	273.292	0.705	20	30		CCEDRM
COCCN(CCC#N)C(=O)[C@H]1CC[C@@H](C(=O)[O-])C1	ZINC000234765053	949833176	/nfs/dbraw/zinc/83/31/76/949833176.db2.gz	YZFDHAACABCFPB-WDEREUQCSA-N	-1	0	268.313	0.876	20	30		CCEDRM
C#CCN(CC(=O)[O-])S(=O)(=O)c1ccc(C#N)cc1C	ZINC000235770581	949880000	/nfs/dbraw/zinc/88/00/00/949880000.db2.gz	XRMBRQWGVYSYGF-UHFFFAOYSA-N	-1	0	292.316	0.575	20	30		CCEDRM
CC(C)(C#N)CS(=O)(=O)N[C@H]1C[C@H](C(=O)[O-])C1	ZINC001602830613	971653273	/nfs/dbraw/zinc/65/32/73/971653273.db2.gz	VNOUXXFFDPKGJP-ZKCHVHJHSA-N	-1	0	260.315	0.319	20	30		CCEDRM
CCN(CCC#N)C(=O)CN1CCC[C@@]1(C)C(=O)[O-]	ZINC001589729841	950485345	/nfs/dbraw/zinc/48/53/45/950485345.db2.gz	CLUCJTGLFIOXSG-ZDUSSCGKSA-N	-1	0	267.329	0.688	20	30		CCEDRM
C[C@H]1CCN(c2cnc(C#N)c(-c3nnn[n-]3)n2)C[C@@H]1F	ZINC001576214261	950667346	/nfs/dbraw/zinc/66/73/46/950667346.db2.gz	NZXKOGNMISOABL-YUMQZZPRSA-N	-1	0	288.290	0.713	20	30		CCEDRM
C#CCN(CC(=O)[O-])C(=O)NC[C@@H](OC)C1CC1	ZINC000378827302	951158570	/nfs/dbraw/zinc/15/85/70/951158570.db2.gz	PVWGUYAOPSFAKY-SNVBAGLBSA-N	-1	0	254.286	0.141	20	30		CCEDRM
COCCN(CCC#N)C(=O)[C@H]1CC[C@H]1C(=O)[O-]	ZINC000397392376	951554781	/nfs/dbraw/zinc/55/47/81/951554781.db2.gz	YMOXHTMMPYYJCJ-VHSXEESVSA-N	-1	0	254.286	0.486	20	30		CCEDRM
CCn1nncc1COC(=O)[C@](C)(C#N)CC(=O)[O-]	ZINC001593674320	953900923	/nfs/dbraw/zinc/90/09/23/953900923.db2.gz	NKYSKORREGFYKQ-NSHDSACASA-N	-1	0	266.257	0.346	20	30		CCEDRM
CC[C@H](CC#N)NC(=O)C1(C(=O)[O-])CCOCC1	ZINC001589463735	954877886	/nfs/dbraw/zinc/87/78/86/954877886.db2.gz	GLPYAWRQFDMOPQ-SECBINFHSA-N	-1	0	254.286	0.676	20	30		CCEDRM
O=C([O-])[C@H]1CN(C(=O)C#Cc2cccs2)CCO1	ZINC001594940506	954881823	/nfs/dbraw/zinc/88/18/23/954881823.db2.gz	HXMADYZQAUKJOX-SNVBAGLBSA-N	-1	0	265.290	0.412	20	30		CCEDRM
C=CCC(C)(C)CNS(=O)(=O)N(C)CCC(=O)[O-]	ZINC000386740368	972076618	/nfs/dbraw/zinc/07/66/18/972076618.db2.gz	COZYHAXSOTUPRC-UHFFFAOYSA-N	-1	0	278.374	0.830	20	30		CCEDRM
C[C@@H](CC(=O)[O-])NC(=O)NCCNc1ccc(C#N)cn1	ZINC001589002552	955342971	/nfs/dbraw/zinc/34/29/71/955342971.db2.gz	UWLGLXXKQHZFSS-VIFPVBQESA-N	-1	0	291.311	0.528	20	30		CCEDRM
Cc1onc(CC(=O)N2C[C@H](C)C[C@H](C(=O)[O-])C2)c1C#N	ZINC001594510163	955379506	/nfs/dbraw/zinc/37/95/06/955379506.db2.gz	FRLZHEUZQABUNH-SCZZXKLOSA-N	-1	0	291.307	0.966	20	30		CCEDRM
Cn1c(CCCC#N)nnc1N1CCC[C@H](C(=O)[O-])C1	ZINC001594518469	955442355	/nfs/dbraw/zinc/44/23/55/955442355.db2.gz	BQJXZNSNWFWVKJ-JTQLQIEISA-N	-1	0	277.328	0.962	20	30		CCEDRM
C[C@H](CN(C)C(=O)C(=O)N1CCC(CC#N)CC1)C(=O)[O-]	ZINC001589021148	955471234	/nfs/dbraw/zinc/47/12/34/955471234.db2.gz	YAPAMAJEFDYYKD-SNVBAGLBSA-N	-1	0	295.339	0.318	20	30		CCEDRM
COC(=O)C[C@@H]1CCC[C@H]1NC(=O)[C@](C)(C#N)CC(=O)[O-]	ZINC001593852567	955473571	/nfs/dbraw/zinc/47/35/71/955473571.db2.gz	UZKIKXRPAYMSFO-RBZYPMLTSA-N	-1	0	296.323	0.839	20	30		CCEDRM
Cn1ccc(C(N)=NOCc2ccc(C(=O)[O-])cc2)n1	ZINC001594549267	955708034	/nfs/dbraw/zinc/70/80/34/955708034.db2.gz	DYWQNKZJPXHFIF-UHFFFAOYSA-N	-1	0	274.280	0.955	20	30		CCEDRM
CC(C)N1CCC[C@@H](OC(=O)[C@@](C)(C#N)CC(=O)[O-])C1=O	ZINC001603068840	972138482	/nfs/dbraw/zinc/13/84/82/972138482.db2.gz	VNGPRSCYZHXXGW-QMTHXVAHSA-N	-1	0	296.323	0.934	20	30		CCEDRM
N#CC1(CC(=O)N[C@H](Cc2ccncc2)C(=O)[O-])CC1	ZINC001594603486	956155781	/nfs/dbraw/zinc/15/57/81/956155781.db2.gz	DFKJJEYFDNVVOX-LLVKDONJSA-N	-1	0	273.292	0.887	20	30		CCEDRM
N#C[C@H]1COCCN1C(=O)Cc1ccccc1C(=O)[O-]	ZINC001594605301	956164352	/nfs/dbraw/zinc/16/43/52/956164352.db2.gz	AGXBCQDCXMATFQ-NSHDSACASA-N	-1	0	274.276	0.678	20	30		CCEDRM
N#CCC1(COC(=O)[C@@H](C(=O)[O-])C2CC2)COC1	ZINC001594606463	956182695	/nfs/dbraw/zinc/18/26/95/956182695.db2.gz	UZKFKWZQJLHMTN-SECBINFHSA-N	-1	0	253.254	0.571	20	30		CCEDRM
N#CCC1(O)CN(C(=O)Nc2ccccc2CC(=O)[O-])C1	ZINC001594605945	956174494	/nfs/dbraw/zinc/17/44/94/956174494.db2.gz	LIUMLFXDHIXFQT-UHFFFAOYSA-N	-1	0	289.291	0.806	20	30		CCEDRM
N#CC[C@@H]1CC[C@H](NC(=O)[C@H]2CC(C(=O)[O-])=NO2)C1	ZINC001594610873	956208595	/nfs/dbraw/zinc/20/85/95/956208595.db2.gz	BGWXUFBLPROUQJ-OYNCUSHFSA-N	-1	0	265.269	0.414	20	30		CCEDRM
N#CCSCCCOC(=O)c1cnc(C(=O)[O-])cn1	ZINC001594611227	956212267	/nfs/dbraw/zinc/21/22/67/956212267.db2.gz	KFROFLYWLZWCBU-UHFFFAOYSA-N	-1	0	281.293	0.978	20	30		CCEDRM
N#Cc1cscc1C(=O)NCCOCCOCC(=O)[O-]	ZINC001594634180	956361609	/nfs/dbraw/zinc/36/16/09/956361609.db2.gz	DTOBOPNILNBXRQ-UHFFFAOYSA-N	-1	0	298.320	0.467	20	30		CCEDRM
N#Cc1ncn(CCNC(=O)[C@H](C(=O)[O-])C2CCCC2)n1	ZINC001594635158	956367406	/nfs/dbraw/zinc/36/74/06/956367406.db2.gz	IXXGMIAXYVIABQ-LLVKDONJSA-N	-1	0	291.311	0.157	20	30		CCEDRM
C[C@@H](OC(=O)[C@@H]1CC[C@@H]1C(=O)[O-])C(=O)N(C)CCC#N	ZINC001589159290	956393331	/nfs/dbraw/zinc/39/33/31/956393331.db2.gz	KDIFOVNLAPNYCN-KXUCPTDWSA-N	-1	0	282.296	0.401	20	30		CCEDRM
COC[C@@]1(C(=O)[O-])CN(Cc2ccncc2C#N)CCO1	ZINC001593985423	956768285	/nfs/dbraw/zinc/76/82/85/956768285.db2.gz	YNUQHOBPFQRDOR-CQSZACIVSA-N	-1	0	291.307	0.255	20	30		CCEDRM
COCCN(CC#N)C(=O)c1ccc(OCC(=O)[O-])cc1	ZINC001593995483	956886509	/nfs/dbraw/zinc/88/65/09/956886509.db2.gz	BPPZBCWKPSDLRF-UHFFFAOYSA-N	-1	0	292.291	0.762	20	30		CCEDRM
C#CCNS(=O)(=O)Cc1ccc(C(=O)[O-])cc1	ZINC000036983964	957257310	/nfs/dbraw/zinc/25/73/10/957257310.db2.gz	HNVJSBJOASOGPZ-UHFFFAOYSA-N	-1	0	253.279	0.437	20	30		CCEDRM
C[C@@H](CNC(=O)[C@@](C)(C#N)CC(=O)[O-])N1CCCCC1=O	ZINC001603166139	972262186	/nfs/dbraw/zinc/26/21/86/972262186.db2.gz	AQELJPMSSDVSAF-IINYFYTJSA-N	-1	0	295.339	0.508	20	30		CCEDRM
C[C@@]1(C(=O)[O-])CCCN1CC(=O)N(CCC#N)CCC#N	ZINC000079487644	957758252	/nfs/dbraw/zinc/75/82/52/957758252.db2.gz	HLLJTSACZRCKEQ-AWEZNQCLSA-N	-1	0	292.339	0.581	20	30		CCEDRM
N#Cc1ccc(C(=O)N[C@H]2C[C@H](C(=O)[O-])C2)cc1O	ZINC001574790860	957807496	/nfs/dbraw/zinc/80/74/96/957807496.db2.gz	APEHDBACVGQDFF-MGCOHNPYSA-N	-1	0	260.249	0.857	20	30		CCEDRM
C#C[C@@H](NCCS(=O)(=O)CC(=O)[O-])c1ccccc1	ZINC001588386390	957977634	/nfs/dbraw/zinc/97/76/34/957977634.db2.gz	QOIBDTFVEKGZBI-GFCCVEGCSA-N	-1	0	281.333	0.450	20	30		CCEDRM
C#CC[C@@H](CCOC)NC(=O)[C@H]1CC[C@H]1C(=O)[O-]	ZINC001588389401	958008533	/nfs/dbraw/zinc/00/85/33/958008533.db2.gz	URTDAGXHKMKLTB-GARJFASQSA-N	-1	0	253.298	0.642	20	30		CCEDRM
C#CCCN1CCN(C(=O)C2(C(=O)[O-])CC=CC2)CC1	ZINC001588390776	958013122	/nfs/dbraw/zinc/01/31/22/958013122.db2.gz	IDQKIANNZJVYRX-UHFFFAOYSA-N	-1	0	276.336	0.575	20	30		CCEDRM
C#CCC[N@H+]1CCC[C@H]([N-]C(=O)C(F)(F)F)[C@@H]1C(=O)[O-]	ZINC001588390977	958018240	/nfs/dbraw/zinc/01/82/40/958018240.db2.gz	XWGBFXYWDIUIBP-DTWKUNHWSA-N	-1	0	292.257	0.606	20	30		CCEDRM
C#CCCCCC(=O)N(CCNC(C)=O)[C@@H](C)C(=O)[O-]	ZINC001588392330	958033469	/nfs/dbraw/zinc/03/34/69/958033469.db2.gz	XHPMDOJTFVBGQU-NSHDSACASA-N	-1	0	282.340	0.618	20	30		CCEDRM
C#CCN(CC(=O)[O-])C(=O)[C@@H](O)C1CCCCC1	ZINC001588397784	958063558	/nfs/dbraw/zinc/06/35/58/958063558.db2.gz	ULWAKEUMNXXUNC-LBPRGKRZSA-N	-1	0	253.298	0.474	20	30		CCEDRM
C#CCN(CC(=O)[O-])C(=O)[C@H]1Cc2ccccc2C(=O)O1	ZINC001588398888	958069716	/nfs/dbraw/zinc/06/97/16/958069716.db2.gz	DIUMEIPUJXLWFY-GFCCVEGCSA-N	-1	0	287.271	0.315	20	30		CCEDRM
C#CCN(CC(=O)[O-])C(=O)[C@@H]1C[C@@]1(C)Br	ZINC001588399525	958074193	/nfs/dbraw/zinc/07/41/93/958074193.db2.gz	LYBLTDVNLRIIKU-OIBJUYFYSA-N	-1	0	274.114	0.706	20	30		CCEDRM
C#CCN(CC(=O)[O-])C(=O)[C@@H]1CCCN(CC(F)F)C1	ZINC001588399894	958077189	/nfs/dbraw/zinc/07/71/89/958077189.db2.gz	PXSBRTMFVLEOHD-SNVBAGLBSA-N	-1	0	288.294	0.510	20	30		CCEDRM
C#CCN(CC(=O)[O-])C(=O)CCCN(C)C(=O)OC	ZINC001588402313	958090008	/nfs/dbraw/zinc/09/00/08/958090008.db2.gz	QZBQGQJUDYFACZ-UHFFFAOYSA-N	-1	0	270.285	0.011	20	30		CCEDRM
C#CCN(CC(=O)[O-])C(=O)NC[C@H](c1ccco1)N(C)C	ZINC001588408523	958111933	/nfs/dbraw/zinc/11/19/33/958111933.db2.gz	QSVCLRDUTDBGRE-LLVKDONJSA-N	-1	0	293.323	0.612	20	30		CCEDRM
C#CCN(CC(=O)[O-])C(=O)N[C@H](c1nc(C)no1)C(C)C	ZINC001588409124	958123087	/nfs/dbraw/zinc/12/30/87/958123087.db2.gz	CAEYNEMVOQFJOB-NSHDSACASA-N	-1	0	294.311	0.805	20	30		CCEDRM
C#CCN(CC(=O)[O-])C(=O)N[C@H](C)c1ccn(C)n1	ZINC001588409815	958132547	/nfs/dbraw/zinc/13/25/47/958132547.db2.gz	KWADZLDBUJCMCS-SECBINFHSA-N	-1	0	264.285	0.211	20	30		CCEDRM
C#CCN(CC(=O)[O-])C(=O)N[C@@H]1[C@H](C)[C@H](OC)C1(C)C	ZINC001588410036	958134463	/nfs/dbraw/zinc/13/44/63/958134463.db2.gz	OCZGRWWSCGATDM-WCQGTBRESA-N	-1	0	282.340	0.775	20	30		CCEDRM
C#CCN(CC(=O)[O-])C(=O)Nc1cc(CCOC)ccn1	ZINC001588411367	958148889	/nfs/dbraw/zinc/14/88/89/958148889.db2.gz	XZUHLKNCRXXAJW-UHFFFAOYSA-N	-1	0	291.307	0.822	20	30		CCEDRM
C#CCN(CC(=O)[O-])C(=O)Nc1ccc2ncnn2c1	ZINC001588413298	958158361	/nfs/dbraw/zinc/15/83/61/958158361.db2.gz	YFIWQMYCSLLZSN-UHFFFAOYSA-N	-1	0	273.252	0.281	20	30		CCEDRM
C#CCN(CC(=O)[O-])C(=O)[C@@]12CCC[C@]1(OC)OCC2	ZINC001588417610	958175766	/nfs/dbraw/zinc/17/57/66/958175766.db2.gz	YWZDYKOSHBKXLX-KBPBESRZSA-N	-1	0	281.308	0.466	20	30		CCEDRM
C#CCN(CC(=O)[O-])C(=O)c1nn(C)cc1Cl	ZINC001588418368	958177783	/nfs/dbraw/zinc/17/77/83/958177783.db2.gz	CINNGGVFVJGZJI-UHFFFAOYSA-N	-1	0	255.661	0.234	20	30		CCEDRM
C[C@@H]1[C@H](C(=O)[O-])CCN1C(=O)c1ccc(C#N)cn1	ZINC000092917147	958182215	/nfs/dbraw/zinc/18/22/15/958182215.db2.gz	BOJDBESAWMQCBE-PSASIEDQSA-N	-1	0	259.265	0.888	20	30		CCEDRM
C#CCN(CC(=O)[O-])C(=O)c1nn(C)c2c1CCCC2	ZINC001588418913	958188562	/nfs/dbraw/zinc/18/85/62/958188562.db2.gz	WBOKTCUXSIZAQE-UHFFFAOYSA-N	-1	0	275.308	0.459	20	30		CCEDRM
C#CCN(CC(=O)[O-])Cc1cc(C(=O)OC)oc1C	ZINC001588424715	958219881	/nfs/dbraw/zinc/21/98/81/958219881.db2.gz	WOILFUFRRWWULW-UHFFFAOYSA-N	-1	0	265.265	0.894	20	30		CCEDRM
C#CCN(CC(=O)[O-])Cc1ccnc(OC)c1F	ZINC001588425454	958225563	/nfs/dbraw/zinc/22/55/63/958225563.db2.gz	SAXRCVDSTWIZFH-UHFFFAOYSA-N	-1	0	252.245	0.749	20	30		CCEDRM
C#CCN(CC(=O)[O-])c1nnc(C[C@@H](O)C2CC2)n1CC	ZINC001588427068	958237969	/nfs/dbraw/zinc/23/79/69/958237969.db2.gz	LGRBFEDSEKWQMN-LLVKDONJSA-N	-1	0	292.339	0.136	20	30		CCEDRM
C#CCN(CC(=O)[O-])c1nnnn1Cc1nc(C)cs1	ZINC001588427072	958238007	/nfs/dbraw/zinc/23/80/07/958238007.db2.gz	LLDWKGVSQVYHDK-UHFFFAOYSA-N	-1	0	292.324	0.011	20	30		CCEDRM
C#CCOCCOC(=O)[C@]1(C(=O)[O-])CC=CCC1	ZINC001588430875	958262813	/nfs/dbraw/zinc/26/28/13/958262813.db2.gz	HOBOVEJRYCZDBJ-CYBMUJFWSA-N	-1	0	252.266	0.991	20	30		CCEDRM
C#CCSCC(=O)NC1(CC(=O)[O-])CCOCC1	ZINC001588432726	958287408	/nfs/dbraw/zinc/28/74/08/958287408.db2.gz	APAKIAZBSKTXMV-UHFFFAOYSA-N	-1	0	271.338	0.493	20	30		CCEDRM
C#C[C@H]1CC[C@H](NC(=O)C(=O)NC[C@H](CC)C(=O)[O-])CC1	ZINC001588433867	958299610	/nfs/dbraw/zinc/29/96/10/958299610.db2.gz	XAGFQSNDTMRIEH-SRVKXCTJSA-N	-1	0	294.351	0.522	20	30		CCEDRM
C#Cc1cnc(N2CC[C@@](COC)(C(=O)[O-])C2)nc1	ZINC001588438982	958307518	/nfs/dbraw/zinc/30/75/18/958307518.db2.gz	BQWMMZFZTQPTTE-CYBMUJFWSA-N	-1	0	261.281	0.385	20	30		CCEDRM
COc1ccc(C=NNCCC(=O)[O-])c(O)c1OC	ZINC001594086741	958322650	/nfs/dbraw/zinc/32/26/50/958322650.db2.gz	KKQIAIADKSBXFB-UHFFFAOYSA-N	-1	0	268.269	0.808	20	30		CCEDRM
C=C(Br)CNC(=O)[C@]1(C(=O)[O-])CCCO1	ZINC001588439776	958322991	/nfs/dbraw/zinc/32/29/91/958322991.db2.gz	RUEHTAADMAMILV-VIFPVBQESA-N	-1	0	278.102	0.645	20	30		CCEDRM
C=C(C)CCNC(=O)c1cccn(CC(=O)[O-])c1=O	ZINC001588441084	958334307	/nfs/dbraw/zinc/33/43/07/958334307.db2.gz	FSMLUXKZPIGFSM-UHFFFAOYSA-N	-1	0	264.281	0.629	20	30		CCEDRM
C=C(C)Cn1c(CO)nnc1N1CC[C@@H](C)[C@H](C(=O)[O-])C1	ZINC001588442204	958343299	/nfs/dbraw/zinc/34/32/99/958343299.db2.gz	GXGABNQTGCULRG-GHMZBOCLSA-N	-1	0	294.355	0.894	20	30		CCEDRM
C=C(CC)CNC(=O)C(=O)Nc1cncc(C(=O)[O-])c1	ZINC001588444533	958361080	/nfs/dbraw/zinc/36/10/80/958361080.db2.gz	HOWBDCOPYNJADL-UHFFFAOYSA-N	-1	0	277.280	0.801	20	30		CCEDRM
C=C1CC(C)(C(=O)NCCOCCOCC(=O)[O-])C1	ZINC001588445142	958371379	/nfs/dbraw/zinc/37/13/79/958371379.db2.gz	CAQKXDXXFNIGHT-UHFFFAOYSA-N	-1	0	271.313	0.577	20	30		CCEDRM
C=C[C@](C)(CCOC)C(=O)Nc1ncn(CC(=O)[O-])n1	ZINC001588450798	958400779	/nfs/dbraw/zinc/40/07/79/958400779.db2.gz	CNQJILQJEZWMOC-GFCCVEGCSA-N	-1	0	282.300	0.530	20	30		CCEDRM
C=CC[C@@H](CO)NC(=O)N[C@H]1CC[C@@H](C(=O)[O-])C1	ZINC001588453277	958434631	/nfs/dbraw/zinc/43/46/31/958434631.db2.gz	UJOCVJZPVAWPBO-UTLUCORTSA-N	-1	0	256.302	0.476	20	30		CCEDRM
C=CCC(F)(F)C(=O)N[C@@H](C(=O)[O-])c1ccnn1C	ZINC001588453271	958434866	/nfs/dbraw/zinc/43/48/66/958434866.db2.gz	UCJLBZBEYSTXID-MRVPVSSYSA-N	-1	0	273.239	0.873	20	30		CCEDRM
C=CCCCN(C)C(=O)C(=O)N(C)CCC(=O)[O-]	ZINC001588458248	958461146	/nfs/dbraw/zinc/46/11/46/958461146.db2.gz	NCLQKPLIGGUIDM-UHFFFAOYSA-N	-1	0	256.302	0.344	20	30		CCEDRM
C=CCCn1cc(CN2CC[C@@H](C(=O)[O-])C2)nn1	ZINC001588460687	958478212	/nfs/dbraw/zinc/47/82/12/958478212.db2.gz	RYYHXMBYYZCPRE-SNVBAGLBSA-N	-1	0	250.302	0.761	20	30		CCEDRM
C=CCNC(=O)NC(=O)[C@@H](C)OC(=O)[C@@H](C(=O)[O-])C1CC1	ZINC001588465473	958503581	/nfs/dbraw/zinc/50/35/81/958503581.db2.gz	LGRMVQWVYUFDON-VXNVDRBHSA-N	-1	0	298.295	0.041	20	30		CCEDRM
C=CCOCCNC(=O)C(=O)Nc1cccnc1C(=O)[O-]	ZINC001588466235	958508224	/nfs/dbraw/zinc/50/82/24/958508224.db2.gz	BOLAKYZCTZTQJA-UHFFFAOYSA-N	-1	0	293.279	0.037	20	30		CCEDRM
C=CCS(=O)(=O)CCNC(=O)N(C)CCCC(=O)[O-]	ZINC001588469754	958518488	/nfs/dbraw/zinc/51/84/88/958518488.db2.gz	SZCKULDFXMWOFH-UHFFFAOYSA-N	-1	0	292.357	0.093	20	30		CCEDRM
C=CCn1c([C@@H](O)CC)nnc1N1CC[C@H](C(=O)[O-])C1	ZINC001588470654	958529456	/nfs/dbraw/zinc/52/94/56/958529456.db2.gz	QQZBXTDIEKTLQJ-UWVGGRQHSA-N	-1	0	280.328	0.818	20	30		CCEDRM
C=CCn1c(CCOC)nnc1N1CC[C@](C)(C(=O)[O-])C1	ZINC001588471633	958535666	/nfs/dbraw/zinc/53/56/66/958535666.db2.gz	CQCHNLRRLGMNOK-AWEZNQCLSA-N	-1	0	294.355	0.954	20	30		CCEDRM
C=CCn1c(CO)nnc1N1CC[C@@H](C(=O)[O-])[C@H](C)C1	ZINC001588471774	958537729	/nfs/dbraw/zinc/53/77/29/958537729.db2.gz	DAJPJVJYLSHOSZ-NXEZZACHSA-N	-1	0	280.328	0.503	20	30		CCEDRM
C=C[C@H](CO)NC(=O)c1cccc(OCC(=O)[O-])c1	ZINC001588478340	958563621	/nfs/dbraw/zinc/56/36/21/958563621.db2.gz	HPJOSHGNLZEVHY-SNVBAGLBSA-N	-1	0	265.265	0.427	20	30		CCEDRM
C[C@](C#N)(CC(=O)[O-])C(=O)N1CC[C@@H](c2cc(=O)[nH][nH]2)C1	ZINC001573360565	958593132	/nfs/dbraw/zinc/59/31/32/958593132.db2.gz	VXIXOWQMVNCZMN-AMIZOPFISA-N	-1	0	292.295	0.436	20	30		CCEDRM
COc1cccc(NN=Cc2cc(C(=O)[O-])nn2C)n1	ZINC001594131735	958681040	/nfs/dbraw/zinc/68/10/40/958681040.db2.gz	IEXADKBTGJJWMU-UHFFFAOYSA-N	-1	0	275.268	0.968	20	30		CCEDRM
CC(C)(C)[C@@H](C(=O)[O-])C(=O)Nc1n[nH]cc1C#N	ZINC001573390290	958691295	/nfs/dbraw/zinc/69/12/95/958691295.db2.gz	JEYBPVCIIGLQSX-SSDOTTSWSA-N	-1	0	250.258	0.967	20	30		CCEDRM
COc1ncc(COC(=O)[C@@](C)(C#N)CC(=O)[O-])c(C)n1	ZINC001594160593	958883314	/nfs/dbraw/zinc/88/33/14/958883314.db2.gz	QJXXLVTXZKWMLU-CYBMUJFWSA-N	-1	0	293.279	0.841	20	30		CCEDRM
CC(C)(O)[C@H]1CCN(C(=O)[C@@](C)(C#N)CC(=O)[O-])C1	ZINC001588534016	958914196	/nfs/dbraw/zinc/91/41/96/958914196.db2.gz	CZSFESAIQXEKMI-TVQRCGJNSA-N	-1	0	268.313	0.610	20	30		CCEDRM
C[C@](C#N)(CC(=O)[O-])C(=O)N1C[C@@H]2CC[C@H](O)C[C@@H]2C1	ZINC001588537992	958937916	/nfs/dbraw/zinc/93/79/16/958937916.db2.gz	BJUQZLFZLBBCJR-BBGACYKPSA-N	-1	0	280.324	0.610	20	30		CCEDRM
CC(C)(CNC(=O)[C@](C)(C#N)CC(=O)[O-])n1ccnc1	ZINC001588537923	958937985	/nfs/dbraw/zinc/93/79/85/958937985.db2.gz	AHPCRAPJXYABFM-ZDUSSCGKSA-N	-1	0	278.312	0.739	20	30		CCEDRM
C[C@@](C#N)(CC(=O)[O-])C(=O)N1CCO[C@@H](CF)C1	ZINC001588538324	958940674	/nfs/dbraw/zinc/94/06/74/958940674.db2.gz	HENNXXWEBAFNHI-KWQFWETISA-N	-1	0	258.249	0.188	20	30		CCEDRM
C[C@@](C#N)(CC(=O)[O-])C(=O)N1CCn2cncc2C1	ZINC001588538866	958945585	/nfs/dbraw/zinc/94/55/85/958945585.db2.gz	OWIONZGVWVEYEM-LBPRGKRZSA-N	-1	0	262.269	0.230	20	30		CCEDRM
C[C@](C#N)(CC(=O)[O-])C(=O)NC[C@@H](O)C1CCC1	ZINC001588539135	958951551	/nfs/dbraw/zinc/95/15/51/958951551.db2.gz	ZOUMKNMWZKIJRH-BXKDBHETSA-N	-1	0	254.286	0.268	20	30		CCEDRM
C[C@](C#N)(CC(=O)[O-])C(=O)OC[C@H]1CCC2(COC2)O1	ZINC001588540018	958956174	/nfs/dbraw/zinc/95/61/74/958956174.db2.gz	MKTPQONKSQMVQC-BXKDBHETSA-N	-1	0	283.280	0.482	20	30		CCEDRM
C[C@](C#N)(CC(=O)[O-])C(=O)OC[C@H]1CN(C2CC2)C(=O)O1	ZINC001588540034	958957185	/nfs/dbraw/zinc/95/71/85/958957185.db2.gz	MSJZASGMGDTOKB-NOZJJQNGSA-N	-1	0	296.279	0.517	20	30		CCEDRM
CC(C)(C)c1nnc(CNC(=O)[C@@](C)(C#N)CC(=O)[O-])[nH]1	ZINC001588541643	958964402	/nfs/dbraw/zinc/96/44/02/958964402.db2.gz	IHPWYLZSHIOFJQ-CYBMUJFWSA-N	-1	0	293.327	0.723	20	30		CCEDRM
C#CC[C@@H](NC(=O)c1cc(COC)on1)C(=O)[O-]	ZINC000149870818	959029070	/nfs/dbraw/zinc/02/90/70/959029070.db2.gz	ZXNODKWIDKNHDG-MRVPVSSYSA-N	-1	0	252.226	0.027	20	30		CCEDRM
C#CC[C@H](NS(=O)(=O)c1ccccc1OC)C(=O)[O-]	ZINC000161242762	959178141	/nfs/dbraw/zinc/17/81/41/959178141.db2.gz	VPTFUFCOZCOHIR-VIFPVBQESA-N	-1	0	283.305	0.450	20	30		CCEDRM
C[C@@H](CNC(=O)Nc1cc(CC#N)ccn1)C(=O)[O-]	ZINC001573550190	959232323	/nfs/dbraw/zinc/23/23/23/959232323.db2.gz	DNLIVJQGRWPYDE-QMMMGPOBSA-N	-1	0	262.269	0.990	20	30		CCEDRM
C#CCN(CC1CC1)C(=O)NCC1(C(=O)[O-])CC1	ZINC000164700950	959259328	/nfs/dbraw/zinc/25/93/28/959259328.db2.gz	KQESSPJYVAVMTG-UHFFFAOYSA-N	-1	0	250.298	0.906	20	30		CCEDRM
O=C([O-])[C@@H]1C[C@@H](NC(=O)NCC#CCO)c2ccccc21	ZINC001605752967	972415376	/nfs/dbraw/zinc/41/53/76/972415376.db2.gz	SYLUMEZLMCJQHJ-CHWSQXEVSA-N	-1	0	288.303	0.595	20	30		CCEDRM
C[C@H](NS(=O)(=O)c1cccc(C#N)c1Cl)C(=O)[O-]	ZINC001573578745	959340362	/nfs/dbraw/zinc/34/03/62/959340362.db2.gz	LSPBETIMZTUBCA-LURJTMIESA-N	-1	0	288.712	0.963	20	30		CCEDRM
C[C@@H]1C[C@@]1(C(=O)[O-])C(=O)Nc1ccn(CCC#N)n1	ZINC001594227787	959442428	/nfs/dbraw/zinc/44/24/28/959442428.db2.gz	MPJAUKXMNYBUPS-PELKAZGASA-N	-1	0	262.269	0.846	20	30		CCEDRM
C[C@H](NC(=O)C(=O)Nc1ccc(OCC#N)cc1)C(=O)[O-]	ZINC001594232968	959484437	/nfs/dbraw/zinc/48/44/37/959484437.db2.gz	KVVSOLDZXVXTNQ-QMMMGPOBSA-N	-1	0	291.263	0.117	20	30		CCEDRM
CC(C)(C(=O)[O-])C(=O)NC1CCN(CC#N)CC1	ZINC001588611686	959515613	/nfs/dbraw/zinc/51/56/13/959515613.db2.gz	XXRBTUDKTFEXJU-UHFFFAOYSA-N	-1	0	253.302	0.201	20	30		CCEDRM
Cc1nn(C)c(NC(=O)CSCC(=O)[O-])c1C#N	ZINC001594483310	959642701	/nfs/dbraw/zinc/64/27/01/959642701.db2.gz	NTFSNVWNKFRVQH-UHFFFAOYSA-N	-1	0	268.298	0.357	20	30		CCEDRM
C[C@@](O)(CNC(=O)c1cscc1C#N)C(=O)[O-]	ZINC001603261641	972446841	/nfs/dbraw/zinc/44/68/41/972446841.db2.gz	NVBBNIRJCXWLHE-SNVBAGLBSA-N	-1	0	254.267	0.185	20	30		CCEDRM
C[C@@](C#N)(CC(=O)[O-])C(=O)N1CC(C)(C)O[C@@H]2COC[C@H]21	ZINC001573675751	959723985	/nfs/dbraw/zinc/72/39/85/959723985.db2.gz	OAUSOMNPAJAQTD-RULNRJAQSA-N	-1	0	296.323	0.396	20	30		CCEDRM
Cc1nc(C(=O)N2CCSC[C@H]2C(=O)[O-])ccc1C#N	ZINC000214796947	959741890	/nfs/dbraw/zinc/74/18/90/959741890.db2.gz	SOZVSTOSZYHYKY-NSHDSACASA-N	-1	0	291.332	0.904	20	30		CCEDRM
C[C@H](OC(=O)[C@](C)(C#N)CC(=O)[O-])C(=O)N1CCCCC1	ZINC001603268226	972464002	/nfs/dbraw/zinc/46/40/02/972464002.db2.gz	GPJCDAWNCRNAOQ-HZMBPMFUSA-N	-1	0	296.323	0.935	20	30		CCEDRM
C[C@H](OC(=O)[C@@](C)(C#N)CC(=O)[O-])C(=O)C1CCOCC1	ZINC001603268916	972470889	/nfs/dbraw/zinc/47/08/89/972470889.db2.gz	PXMJIBRZHZHMBO-LKFCYVNXSA-N	-1	0	297.307	0.918	20	30		CCEDRM
N#CC1(CNC(=O)c2ccc(C(=O)[O-])cn2)CCOCC1	ZINC001574241574	960465556	/nfs/dbraw/zinc/46/55/56/960465556.db2.gz	ONXGUYDMMDYDSW-UHFFFAOYSA-N	-1	0	289.291	0.830	20	30		CCEDRM
N#Cc1ncccc1S(=O)(=O)N1CCC[C@H]1CC(=O)[O-]	ZINC000236431261	960589237	/nfs/dbraw/zinc/58/92/37/960589237.db2.gz	SQZVDQGCCWDXOV-VIFPVBQESA-N	-1	0	295.320	0.581	20	30		CCEDRM
Cc1c(C#N)c(NC(=O)c2cc(C(=O)[O-])nn2C)nn1C	ZINC001574296873	960698847	/nfs/dbraw/zinc/69/88/47/960698847.db2.gz	SJMRCWOGRLJUFO-UHFFFAOYSA-N	-1	0	288.267	0.284	20	30		CCEDRM
CC(C)(NC(=O)c1cccc(C#CCO)c1)C(=O)[O-]	ZINC001588790487	961359813	/nfs/dbraw/zinc/35/98/13/961359813.db2.gz	KNIRKCGOWRHLGD-UHFFFAOYSA-N	-1	0	261.277	0.623	20	30		CCEDRM
Cn1nc(C(=O)[O-])cc1C(=O)NCc1nc(C#N)cs1	ZINC001574466061	961568650	/nfs/dbraw/zinc/56/86/50/961568650.db2.gz	RWPGPOAQRRGPTJ-UHFFFAOYSA-N	-1	0	291.292	0.376	20	30		CCEDRM
N#C[C@H]1C[C@H]1C(=O)NCC1(C(=O)[O-])CCOCC1	ZINC001574479588	961650577	/nfs/dbraw/zinc/65/05/77/961650577.db2.gz	KNZXAZLXUJTNJR-RKDXNWHRSA-N	-1	0	252.270	0.144	20	30		CCEDRM
N#CCc1cccc(NC(=O)N[C@@]2(C(=O)[O-])CCOC2)n1	ZINC001574479618	961651982	/nfs/dbraw/zinc/65/19/82/961651982.db2.gz	MAKYKCFWNUXEBI-ZDUSSCGKSA-N	-1	0	290.279	0.513	20	30		CCEDRM
N#Cc1n[nH]cc1NC(=O)[C@@H]1CO[C@@H](CCC(=O)[O-])C1	ZINC001574479651	961652545	/nfs/dbraw/zinc/65/25/45/961652545.db2.gz	NTBINPZAYDIZHY-YUMQZZPRSA-N	-1	0	278.268	0.490	20	30		CCEDRM
N#CC1(CC(=O)Nc2cc(C(=O)[O-])n[nH]2)CCOCC1	ZINC001574480185	961657635	/nfs/dbraw/zinc/65/76/35/961657635.db2.gz	CESMMDLWUHBMLQ-UHFFFAOYSA-N	-1	0	278.268	0.757	20	30		CCEDRM
N#C[C@@]1(C(=O)Nc2cc(C(=O)[O-])n[nH]2)CCCOC1	ZINC001574480342	961661767	/nfs/dbraw/zinc/66/17/67/961661767.db2.gz	GQUZLNMYJZSBLX-NSHDSACASA-N	-1	0	264.241	0.367	20	30		CCEDRM
N#C[C@@]1(C(=O)N[C@H]2CC[C@@H](C(=O)[O-])C2)CCCOC1	ZINC001574480528	961664009	/nfs/dbraw/zinc/66/40/09/961664009.db2.gz	KYTBBYGKYRIBSP-NRUUGDAUSA-N	-1	0	266.297	0.676	20	30		CCEDRM
N#CCN1CCC[C@@H](CNC(=O)[C@H]2CC[C@@H](C(=O)[O-])C2)C1	ZINC001574481055	961669837	/nfs/dbraw/zinc/66/98/37/961669837.db2.gz	TYNODRVUNQSAJY-RWMBFGLXSA-N	-1	0	293.367	0.839	20	30		CCEDRM
N#CCN1CCC(CNC(=O)[C@@H]2CC[C@H]2C(=O)[O-])CC1	ZINC001574481187	961671518	/nfs/dbraw/zinc/67/15/18/961671518.db2.gz	WKYYSEHNQIUYBV-VXGBXAGGSA-N	-1	0	279.340	0.449	20	30		CCEDRM
N#Cc1ccc(C(=O)Nc2ccnc(C(=O)[O-])c2)[nH]1	ZINC001574486388	961685622	/nfs/dbraw/zinc/68/56/22/961685622.db2.gz	WKCQGNGHCWDSAI-UHFFFAOYSA-N	-1	0	256.221	0.654	20	30		CCEDRM
N#Cc1ccccc1OCC(=O)Nc1n[nH]cc1C(=O)[O-]	ZINC001574488483	961695243	/nfs/dbraw/zinc/69/52/43/961695243.db2.gz	AJPGRZCKXQSVSV-UHFFFAOYSA-N	-1	0	286.247	0.997	20	30		CCEDRM
CN(C(=O)c1cn(CC(=O)[O-])nn1)[C@H]1CCC[C@@H]1C#N	ZINC001573982568	961773636	/nfs/dbraw/zinc/77/36/36/961773636.db2.gz	ABBJHRNWBPKZGO-SCZZXKLOSA-N	-1	0	277.284	0.127	20	30		CCEDRM
CO[C@@H](C(=O)[O-])C(=O)Nc1nc(Cl)c(C#N)s1	ZINC001574105339	962433103	/nfs/dbraw/zinc/43/31/03/962433103.db2.gz	PLGPPIGVQHWNSQ-SCSAIBSYSA-N	-1	0	275.673	0.706	20	30		CCEDRM
C#CC[C@@H](NC(=O)[C@H](C)Cc1c(C)n[nH]c1C)C(=O)[O-]	ZINC001573301769	962636064	/nfs/dbraw/zinc/63/60/64/962636064.db2.gz	FFHUTGQKOCEISA-PRHODGIISA-N	-1	0	277.324	0.798	20	30		CCEDRM
C#CC[C@H](COC)NC(=O)[C@H]1CC[C@@H](CCC(=O)[O-])O1	ZINC001573301923	962639863	/nfs/dbraw/zinc/63/98/63/962639863.db2.gz	HBRBXRUZLWEFPI-GRYCIOLGSA-N	-1	0	283.324	0.553	20	30		CCEDRM
C#CC[C@@H](CO)NC(=O)Nc1cc(C(=O)[O-])ccn1	ZINC001573301942	962641902	/nfs/dbraw/zinc/64/19/02/962641902.db2.gz	HESLWDQPDADNRA-VIFPVBQESA-N	-1	0	263.253	0.286	20	30		CCEDRM
C#C[C@@H](CCC)NC(=O)[C@H]1C[C@@H](C)[C@H](C(=O)[O-])O1	ZINC001573302881	962664905	/nfs/dbraw/zinc/66/49/05/962664905.db2.gz	RNOOUGOCGDZPEY-LMLFDSFASA-N	-1	0	253.298	0.783	20	30		CCEDRM
C#CC[C@@H](NC(=O)CC[C@H](O)CCCC)C(=O)[O-]	ZINC001573303335	962675387	/nfs/dbraw/zinc/67/53/87/962675387.db2.gz	WVYJJCNDKFGNPH-GHMZBOCLSA-N	-1	0	255.314	0.910	20	30		CCEDRM
C#CCC1(NC(=O)[C@H]2CC[C@@H](C(=O)[O-])O2)CCC1	ZINC001573303463	962677489	/nfs/dbraw/zinc/67/74/89/962677489.db2.gz	OGIAAUGBAIZGEU-ZJUUUORDSA-N	-1	0	251.282	0.681	20	30		CCEDRM
COCCN(CCC(=O)[O-])c1cnc(C#N)c(C#N)n1	ZINC001574159238	962702810	/nfs/dbraw/zinc/70/28/10/962702810.db2.gz	YCIMDHSQMIBEDQ-UHFFFAOYSA-N	-1	0	275.268	0.147	20	30		CCEDRM
C=C[C@H](COC)NC(=O)N1C[C@@H](C(=O)[O-])[C@H](C2CC2)C1	ZINC001573329245	962812639	/nfs/dbraw/zinc/81/26/39/962812639.db2.gz	AYXJJSUUMZEBQJ-GRYCIOLGSA-N	-1	0	282.340	0.940	20	30		CCEDRM
C=C(CCC(=O)[O-])C(=O)N[C@@](C)(C(N)=O)c1ccccc1	ZINC001573331819	962816172	/nfs/dbraw/zinc/81/61/72/962816172.db2.gz	BOVOEUJOXRCIIG-OAHLLOKOSA-N	-1	0	290.319	0.924	20	30		CCEDRM
C=C(Cl)CN1CC[C@@H]1CNC(=O)CNC(=O)[O-]	ZINC001573338935	962883498	/nfs/dbraw/zinc/88/34/98/962883498.db2.gz	KYJJZQRCFXLFJA-MRVPVSSYSA-N	-1	0	261.709	0.197	20	30		CCEDRM
C=C(Cl)CN1CC[C@@H](N(CC)C(=O)CNC(=O)[O-])C1	ZINC001573338983	962883871	/nfs/dbraw/zinc/88/38/71/962883871.db2.gz	LPGHZPNDYKHDJZ-SNVBAGLBSA-N	-1	0	289.763	0.929	20	30		CCEDRM
C=C(Cl)CN1CCC2(CN(C(=O)CNC(=O)[O-])C2)C1	ZINC001573339009	962885498	/nfs/dbraw/zinc/88/54/98/962885498.db2.gz	MPJKXPRDIONBMH-UHFFFAOYSA-N	-1	0	287.747	0.541	20	30		CCEDRM
C=C[C@H](CC)CC(=O)NC[C@@H](C)N(C)C(=O)CNC(=O)[O-]	ZINC001573346946	962943989	/nfs/dbraw/zinc/94/39/89/962943989.db2.gz	IBEFENMMTXNHEC-GHMZBOCLSA-N	-1	0	299.371	0.819	20	30		CCEDRM
C=CCCC(=O)N[C@@H](C)C[C@@H](C)NC(=O)CNC(=O)[O-]	ZINC001573352534	962988687	/nfs/dbraw/zinc/98/86/87/962988687.db2.gz	FITYAORWULJJEB-VHSXEESVSA-N	-1	0	285.344	0.620	20	30		CCEDRM
C=CCCC(=O)N1CCCC[C@@H]1CNC(=O)CNC(=O)[O-]	ZINC001573352609	962989516	/nfs/dbraw/zinc/98/95/16/962989516.db2.gz	GYLXBMNCEJVQDA-LLVKDONJSA-N	-1	0	297.355	0.718	20	30		CCEDRM
C=CCCC(=O)N[C@H]1C[C@@H](NC(=O)[C@H]2C[C@H]2C(=O)[O-])C1	ZINC001573352953	962994702	/nfs/dbraw/zinc/99/47/02/962994702.db2.gz	NDTPOXYXRQEJTN-ZRUFSTJUSA-N	-1	0	280.324	0.437	20	30		CCEDRM
N#Cc1cccc(CN2C[C@@H](O)C[C@H]2C(=O)[O-])c1F	ZINC000300264827	962996663	/nfs/dbraw/zinc/99/66/63/962996663.db2.gz	PAVDXNBELCPACJ-QWRGUYRKSA-N	-1	0	264.256	0.717	20	30		CCEDRM
C=CCCC(=O)N[C@H]1CCN(C(=O)CNC(=O)[O-])[C@@H]1C	ZINC001573353397	963001030	/nfs/dbraw/zinc/00/10/30/963001030.db2.gz	UNLIYOWHQLSWII-ZJUUUORDSA-N	-1	0	283.328	0.326	20	30		CCEDRM
CC(=O)N[C@@H](CSc1cccc(C#N)n1)C(=O)[O-]	ZINC000300450725	963010791	/nfs/dbraw/zinc/01/07/91/963010791.db2.gz	ZHHDGZUJQXIJNP-VIFPVBQESA-N	-1	0	265.294	0.635	20	30		CCEDRM
C=CCOC[C@H](NC(=O)[C@H]1CC[C@@H](C(=O)OC)C1)C(=O)[O-]	ZINC001573368364	963078887	/nfs/dbraw/zinc/07/88/87/963078887.db2.gz	CPYLJZQVGYHYPM-AXFHLTTASA-N	-1	0	299.323	0.348	20	30		CCEDRM
C=CCOCC[N@@H+](C)C[C@H]1CCCN1C(=O)CNC(=O)[O-]	ZINC001573368656	963084061	/nfs/dbraw/zinc/08/40/61/963084061.db2.gz	JCCXQKMLAQIDFJ-GFCCVEGCSA-N	-1	0	299.371	0.379	20	30		CCEDRM
C=CCNC(=O)CN[C@H](C)c1ncc(C(=O)[O-])s1	ZINC000314996207	963840563	/nfs/dbraw/zinc/84/05/63/963840563.db2.gz	QVCKEDDQYDJXGE-SSDOTTSWSA-N	-1	0	269.326	0.794	20	30		CCEDRM
C#CCCCC(=O)NC1(CNC(=O)[C@H]2C[C@H]2C(=O)[O-])CC1	ZINC001588435275	964020439	/nfs/dbraw/zinc/02/04/39/964020439.db2.gz	IZXRGCPCTYDIRP-WDEREUQCSA-N	-1	0	292.335	0.276	20	30		CCEDRM
C#Cc1ccc(S(=O)(=O)NC[C@H](C)C(=O)[O-])cc1	ZINC001588438780	964026283	/nfs/dbraw/zinc/02/62/83/964026283.db2.gz	BDDNKJBDOXMPLD-VIFPVBQESA-N	-1	0	267.306	0.667	20	30		CCEDRM
C#CCCCCC(=O)NCCNc1ccnc(C(=O)[O-])n1	ZINC001588440005	964033801	/nfs/dbraw/zinc/03/38/01/964033801.db2.gz	JWDYHEYRIMTHJA-UHFFFAOYSA-N	-1	0	290.323	0.318	20	30		CCEDRM
C#CCCCNC(=O)C(=O)N[C@H]1C[C@H]2C[C@H](C(=O)[O-])C[C@H]21	ZINC001588446489	964075082	/nfs/dbraw/zinc/07/50/82/964075082.db2.gz	NKNJLZGMRSSYHY-KXNHARMFSA-N	-1	0	292.335	0.132	20	30		CCEDRM
C#CCN(CC(=O)[O-])C(=O)Cc1ccc(OC)cc1	ZINC000092476836	967594192	/nfs/dbraw/zinc/59/41/92/967594192.db2.gz	DCYYLPNQCNNYGW-UHFFFAOYSA-N	-1	0	261.277	0.784	20	30		CCEDRM
C#CCN(CC(=O)[O-])C(=O)CCn1nc(C)cc1C	ZINC000092477805	967594569	/nfs/dbraw/zinc/59/45/69/967594569.db2.gz	LHHVPQPHKHAKOA-UHFFFAOYSA-N	-1	0	263.297	0.436	20	30		CCEDRM
C#CCN(CC(=O)[O-])C(=O)N[C@H](C)c1cccnc1	ZINC000092484012	967597798	/nfs/dbraw/zinc/59/77/98/967597798.db2.gz	URYBLSNDDLTJHH-SNVBAGLBSA-N	-1	0	261.281	0.872	20	30		CCEDRM
C#CCN(CC(=O)[O-])Cc1nccc(OC)c1OC	ZINC000232197693	967741009	/nfs/dbraw/zinc/74/10/09/967741009.db2.gz	YYHSRASRRPZHCC-UHFFFAOYSA-N	-1	0	264.281	0.619	20	30		CCEDRM
N#C[C@@]1(F)CCN(CC2(O)CCC(C(=O)[O-])CC2)C1	ZINC001574242355	969850584	/nfs/dbraw/zinc/85/05/84/969850584.db2.gz	UVMFHJOOFOYERD-YDGIUTOCSA-N	-1	0	270.304	0.930	20	30		CCEDRM
C#CCN(CC(=O)[O-])c1nnc(-c2cc[nH]n2)n1CC=C	ZINC001588426578	969882088	/nfs/dbraw/zinc/88/20/88/969882088.db2.gz	PKSXWNPSUFEAME-UHFFFAOYSA-N	-1	0	286.295	0.378	20	30		CCEDRM
CC#CCN1CCC[C@@H](NC(=O)C(F)(F)F)[C@@H]1C(=O)[O-]	ZINC001588478502	969884022	/nfs/dbraw/zinc/88/40/22/969884022.db2.gz	CSTVUOVPUDSOKN-RKDXNWHRSA-N	-1	0	292.257	0.606	20	30		CCEDRM
N#CCC1(O)CN(C(=O)c2cccc(C(=O)[O-])c2)C1	ZINC001608181046	970402219	/nfs/dbraw/zinc/40/22/19/970402219.db2.gz	FGRYLZRDOOAKJC-UHFFFAOYSA-N	-1	0	260.249	0.485	20	30		CCEDRM
C[C@](C#N)(CC(=O)[O-])C(=O)N1CC[C@@H](n2cccn2)C1	ZINC001609691651	970450630	/nfs/dbraw/zinc/45/06/30/970450630.db2.gz	ZMXOFGVTVJLXOQ-ZWNOBZJWSA-N	-1	0	276.296	0.661	20	30		CCEDRM
Cc1ccc(C(=O)N2CCO[C@@H](C(=O)[O-])C2)cc1C#N	ZINC001605246825	973011249	/nfs/dbraw/zinc/01/12/49/973011249.db2.gz	DAFDTZDEHYCKFV-GFCCVEGCSA-N	-1	0	274.276	0.792	20	30		CCEDRM
C[C@@H]1OCC[C@@H]1COC(=O)[C@](C)(C#N)CC(=O)[O-]	ZINC001603479518	973375332	/nfs/dbraw/zinc/37/53/32/973375332.db2.gz	DDUMYNGEFNHFLO-SBMIAAHKSA-N	-1	0	255.270	0.959	20	30		CCEDRM
CC[C@@H](C(=O)[O-])N(C)S(=O)(=O)CC(C)(C)C#N	ZINC001603500253	973464868	/nfs/dbraw/zinc/46/48/68/973464868.db2.gz	BMHROOSPZZFBNK-QMMMGPOBSA-N	-1	0	262.331	0.661	20	30		CCEDRM
Cc1noc(C2CN(C(=O)[C@@](C)(C#N)CC(=O)[O-])C2)n1	ZINC001605448704	973523495	/nfs/dbraw/zinc/52/34/95/973523495.db2.gz	JFWFSDNKBPDOPO-GFCCVEGCSA-N	-1	0	278.268	0.308	20	30		CCEDRM
CC[C@@H](CC#N)OC(=O)[C@@H]1CCCN(CC(=O)[O-])C1=O	ZINC001603515870	973524027	/nfs/dbraw/zinc/52/40/27/973524027.db2.gz	IODWFRHGEWJFCT-VHSXEESVSA-N	-1	0	282.296	0.545	20	30		CCEDRM
Cc1ccnc(N2C[C@H](O)C[C@H](C(=O)[O-])C2)c1C#N	ZINC000401968046	973573568	/nfs/dbraw/zinc/57/35/68/973573568.db2.gz	HQGIEVDQPOHMMH-VHSXEESVSA-N	-1	0	261.281	0.534	20	30		CCEDRM
Cn1nccc1[C@@H](NCc1ccc(C#N)cn1)C(=O)[O-]	ZINC001605568179	973816278	/nfs/dbraw/zinc/81/62/78/973816278.db2.gz	MJHUSEZVSFZLDL-GFCCVEGCSA-N	-1	0	271.280	0.602	20	30		CCEDRM
N#CCCCNC(=O)[C@@H]1CO[C@H](CCC(=O)[O-])C1	ZINC001605581480	973857411	/nfs/dbraw/zinc/85/74/11/973857411.db2.gz	AFNUDAPXSVUJBL-VHSXEESVSA-N	-1	0	254.286	0.676	20	30		CCEDRM
N#CCC1(CNC(=O)N2CCO[C@@H](C(=O)[O-])C2)CC1	ZINC001605581954	973862510	/nfs/dbraw/zinc/86/25/10/973862510.db2.gz	QGMLTWLVENZFNR-SECBINFHSA-N	-1	0	267.285	0.175	20	30		CCEDRM
N#CCCCC(=O)N[C@H]1CCCCN(CC(=O)[O-])C1=O	ZINC001605581802	973862662	/nfs/dbraw/zinc/86/26/62/973862662.db2.gz	MQJFBZNAURAFHZ-JTQLQIEISA-N	-1	0	281.312	0.262	20	30		CCEDRM
N#CC1(CNC(=O)NCCC(=O)[O-])CCOCC1	ZINC001605582657	973865811	/nfs/dbraw/zinc/86/58/11/973865811.db2.gz	BLPKYWWCONAUEK-UHFFFAOYSA-N	-1	0	255.274	0.081	20	30		CCEDRM
N#CC1(CS(=O)(=O)N[C@H]2CCC[C@H]2C(=O)[O-])CC1	ZINC001605583533	973873019	/nfs/dbraw/zinc/87/30/19/973873019.db2.gz	VFXDAKLDNLBTFZ-BDAKNGLRSA-N	-1	0	272.326	0.463	20	30		CCEDRM
COc1cc(C#N)ccc1OC(=O)[C@H](OC)C(=O)[O-]	ZINC001604685309	973880725	/nfs/dbraw/zinc/88/07/25/973880725.db2.gz	TUJFCSFFLKGGPC-SNVBAGLBSA-N	-1	0	265.221	0.572	20	30		CCEDRM
N#Cc1c(N)c([N+](=O)[O-])ccc1N1CC[C@@H](C(=O)[O-])C1	ZINC001605590604	973885041	/nfs/dbraw/zinc/88/50/41/973885041.db2.gz	IFBAFTGWXUSZCL-SSDOTTSWSA-N	-1	0	276.252	0.960	20	30		CCEDRM
N#Cc1cc(C(=O)N2C[C@@H]3COC[C@]3(C(=O)[O-])C2)ccn1	ZINC001605591990	973892194	/nfs/dbraw/zinc/89/21/94/973892194.db2.gz	MKXTXZVDVGQXEX-QMTHXVAHSA-N	-1	0	287.275	0.126	20	30		CCEDRM
N#Cc1ccc(C(=O)N2CCO[C@H](C(=O)[O-])C2)c(F)c1	ZINC001605597484	973899105	/nfs/dbraw/zinc/89/91/05/973899105.db2.gz	UQLKSRJHTXWIMN-NSHDSACASA-N	-1	0	278.239	0.623	20	30		CCEDRM
N#CCc1ccccc1CC(=O)N1CCOC[C@@H]1C(=O)[O-]	ZINC001605601450	973903923	/nfs/dbraw/zinc/90/39/23/973903923.db2.gz	JRENIDLEXDGQRL-CYBMUJFWSA-N	-1	0	288.303	0.607	20	30		CCEDRM
N#Cc1ccc(NCCNC(=O)[C@@H](C(=O)[O-])C2CC2)nc1	ZINC001605612346	973925698	/nfs/dbraw/zinc/92/56/98/973925698.db2.gz	IADRFDJCEQBKKE-LBPRGKRZSA-N	-1	0	288.307	0.592	20	30		CCEDRM
N#Cc1cn(CC(=O)NCC(=O)[O-])c(=O)c2ccccc12	ZINC001605622912	973946527	/nfs/dbraw/zinc/94/65/27/973946527.db2.gz	ISKNZSVZCHGSGN-UHFFFAOYSA-N	-1	0	285.259	0.074	20	30		CCEDRM
N#Cc1cnnc(N[C@H]2CCCCN(CC(=O)[O-])C2=O)c1	ZINC001605625941	973950471	/nfs/dbraw/zinc/95/04/71/973950471.db2.gz	DAOXZSVYYPJCER-JTQLQIEISA-N	-1	0	289.295	0.226	20	30		CCEDRM
N#Cc1ncc(N2CCC[C@H](C(=O)[O-])C2)nc1C#N	ZINC001605626501	973956109	/nfs/dbraw/zinc/95/61/09/973956109.db2.gz	JVTAPIIDXJPVGH-QMMMGPOBSA-N	-1	0	257.253	0.521	20	30		CCEDRM
CCCN(CC(=O)[O-])[C@H](C)C(=O)N(C)CCC#N	ZINC001603666703	974038749	/nfs/dbraw/zinc/03/87/49/974038749.db2.gz	OUBLOCBXNDTFHS-SNVBAGLBSA-N	-1	0	255.318	0.544	20	30		CCEDRM
C[C@@H](/C=C\C(=O)[O-])NC(=O)c1cccc(C#CCO)c1	ZINC001592206727	977245648	/nfs/dbraw/zinc/24/56/48/977245648.db2.gz	VMXXZXBZWKCAKZ-TVRMLOFPSA-N	-1	0	273.288	0.790	20	30		CCEDRM
CCC1(CC(=O)N(CC#N)CCC(=O)[O-])COC1	ZINC001595372348	980861105	/nfs/dbraw/zinc/86/11/05/980861105.db2.gz	FMWVYKRMNSPKIU-UHFFFAOYSA-N	-1	0	254.286	0.630	20	30		CCEDRM
CC[C@@](C)(C#N)C(=O)O[C@H](C)C(=O)NCC(=O)[O-]	ZINC001594778359	981775842	/nfs/dbraw/zinc/77/58/42/981775842.db2.gz	POHPWKFEMSBHEA-HQJQHLMTSA-N	-1	0	256.258	0.059	20	30		CCEDRM
CC[C@@](C)(NS(=O)(=O)CC(C)(C)C#N)C(=O)[O-]	ZINC001594853182	982107951	/nfs/dbraw/zinc/10/79/51/982107951.db2.gz	JZOACGDLAQRFOZ-SNVBAGLBSA-N	-1	0	262.331	0.709	20	30		CCEDRM
CCCN(CC(=O)[O-])C(=O)[C@H](C)n1cnc(C#N)n1	ZINC001595846478	982773814	/nfs/dbraw/zinc/77/38/14/982773814.db2.gz	FTCXUICNKBGQKP-QMMMGPOBSA-N	-1	0	265.273	0.034	20	30		CCEDRM
CC[C@@H](C)NC(=O)[C@H](C)N(CC#N)CCC(=O)[O-]	ZINC001594988368	982835092	/nfs/dbraw/zinc/83/50/92/982835092.db2.gz	ZWDUFYRKCXGLHO-ZJUUUORDSA-N	-1	0	255.318	0.590	20	30		CCEDRM
CC#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H](C)C(=O)[O-]	ZINC001573497011	983049218	/nfs/dbraw/zinc/04/92/18/983049218.db2.gz	WGGJHZOPEPMFRZ-UWVGGRQHSA-N	-1	0	298.339	0.882	20	30		CCEDRM
N#Cc1cc(C(=O)N[C@@H](C[C@@H]2CCCO2)C(=O)[O-])co1	ZINC001574241303	983200780	/nfs/dbraw/zinc/20/07/80/983200780.db2.gz	KJIVNCRFTJRXLX-ONGXEEELSA-N	-1	0	278.264	0.903	20	30		CCEDRM
C#CC(C)(C)N(C)S(=O)(=O)c1ccc(C(=O)[O-])nc1	ZINC001588366991	983295704	/nfs/dbraw/zinc/29/57/04/983295704.db2.gz	DNERGWKTZKYFOB-UHFFFAOYSA-N	-1	0	282.321	0.812	20	30		CCEDRM
C#C[C@@](C)(CC)NS(=O)(=O)c1cccnc1C(=O)[O-]	ZINC001588368034	983303514	/nfs/dbraw/zinc/30/35/14/983303514.db2.gz	FRLWIKYYLNXALZ-LBPRGKRZSA-N	-1	0	282.321	0.860	20	30		CCEDRM
C#C[C@@H](C)NC(=O)C(=O)Nc1ccc(F)cc1C(=O)[O-]	ZINC001588368643	983307086	/nfs/dbraw/zinc/30/70/86/983307086.db2.gz	PTXLAWSKCFTSQZ-SSDOTTSWSA-N	-1	0	278.239	0.600	20	30		CCEDRM
C#C[C@@H](CO)NC(=O)Nc1ccc(C(=O)[O-])cc1N(C)C	ZINC001588370426	983319142	/nfs/dbraw/zinc/31/91/42/983319142.db2.gz	CSCUGMPHJIVZJV-JTQLQIEISA-N	-1	0	291.307	0.566	20	30		CCEDRM
C#C[C@H](NC(=O)N1C[C@@H](C)O[C@H](C(=O)[O-])C1)[C@@H]1CCCO1	ZINC001588372143	983328604	/nfs/dbraw/zinc/32/86/04/983328604.db2.gz	DQHKFFDBDMLXEM-RHYQMDGZSA-N	-1	0	296.323	0.051	20	30		CCEDRM
C#C[C@@H](NC(=O)N1C[C@@H](C)[C@H](C(=O)[O-])C1)C1CCOCC1	ZINC001588372697	983333046	/nfs/dbraw/zinc/33/30/46/983333046.db2.gz	QVJRHWMJLWFITG-RAIGVLPGSA-N	-1	0	294.351	0.777	20	30		CCEDRM
C#C[C@@H](NC(=O)CCc1ocnc1C(=O)[O-])[C@H]1CCCO1	ZINC001588372983	983335450	/nfs/dbraw/zinc/33/54/50/983335450.db2.gz	WZOFSKCRCDITOB-NXEZZACHSA-N	-1	0	292.291	0.602	20	30		CCEDRM
C#CC1(NS(=O)(=O)c2n[nH]cc2C(=O)[O-])CCCC1	ZINC001588379316	983363491	/nfs/dbraw/zinc/36/34/91/983363491.db2.gz	CZVVYAGDNPACPW-UHFFFAOYSA-N	-1	0	283.309	0.332	20	30		CCEDRM
C#C[C@H]1CCCN(CC(=O)N[C@H](CC(C)C)C(=O)[O-])C1	ZINC001588382739	983373945	/nfs/dbraw/zinc/37/39/45/983373945.db2.gz	GXXDNEUTMPEDHM-QWHCGFSZSA-N	-1	0	280.368	0.947	20	30		CCEDRM
C#C[C@@H]1CCCN(c2nnnn2[C@@H]2CC=C(C(=O)[O-])C2)C1	ZINC001588382969	983376252	/nfs/dbraw/zinc/37/62/52/983376252.db2.gz	LPCBFMWCLKKFET-ZYHUDNBSSA-N	-1	0	287.323	0.869	20	30		CCEDRM
C#C[C@@H]1COCCN1C(=O)c1oc(C(=O)[O-])cc1C	ZINC001588383831	983384649	/nfs/dbraw/zinc/38/46/49/983384649.db2.gz	MENIPRKDOZOFCA-SECBINFHSA-N	-1	0	263.249	0.760	20	30		CCEDRM
C#CC[C@@H](COC)NC(=O)N1C[C@@H]2CCC[C@]2(C(=O)[O-])C1	ZINC001588394358	983402800	/nfs/dbraw/zinc/40/28/00/983402800.db2.gz	LIZFTBSGSRAAKG-HUBLWGQQSA-N	-1	0	294.351	0.921	20	30		CCEDRM
C#CC[C@H](CCOC)NC(=O)N[C@H]1CC=C(C(=O)[O-])C1	ZINC001588394802	983403841	/nfs/dbraw/zinc/40/38/41/983403841.db2.gz	PNBINRKLZXPHKI-NEPJUHHUSA-N	-1	0	280.324	0.887	20	30		CCEDRM
C#CC[C@@H](NC(=O)Cc1c[nH]c2ncccc12)C(=O)[O-]	ZINC001588404635	983418300	/nfs/dbraw/zinc/41/83/00/983418300.db2.gz	DJGYDDBSDAMBMS-LLVKDONJSA-N	-1	0	271.276	0.698	20	30		CCEDRM
C#CC[C@@H](NC(=O)CCc1nnc(C(F)F)o1)C(=O)[O-]	ZINC001588405256	983420899	/nfs/dbraw/zinc/42/08/99/983420899.db2.gz	LCNSVXOBSYBKRB-ZCFIWIBFSA-N	-1	0	287.222	0.533	20	30		CCEDRM
C#CC[C@@H](NC(=O)Cc1ccc2c[nH]nc2c1)C(=O)[O-]	ZINC001588407280	983427625	/nfs/dbraw/zinc/42/76/25/983427625.db2.gz	FTULYPULOMVDRV-LLVKDONJSA-N	-1	0	271.276	0.698	20	30		CCEDRM
C#CC[C@H](NC(=O)Cc1cnccc1Cl)C(=O)[O-]	ZINC001588407343	983428015	/nfs/dbraw/zinc/42/80/15/983428015.db2.gz	GNJKFVRALIDEQH-JTQLQIEISA-N	-1	0	266.684	0.870	20	30		CCEDRM
C#CC[C@H](NC(=O)[C@H](C)N(C)C(=O)OC(C)(C)C)C(=O)[O-]	ZINC001588407491	983428413	/nfs/dbraw/zinc/42/84/13/983428413.db2.gz	IJCMHYPZAKNTCN-UWVGGRQHSA-N	-1	0	298.339	0.835	20	30		CCEDRM
C#CC[C@@H](NC(=O)[C@H]1CCCC[C@H]1C(=O)OC)C(=O)[O-]	ZINC001588407589	983428677	/nfs/dbraw/zinc/42/86/77/983428677.db2.gz	KKOFRTQKCAESBA-HBNTYKKESA-N	-1	0	281.308	0.559	20	30		CCEDRM
C#CC[C@@H](NC(=O)Cc1n[nH]c(=O)c2ccccc12)C(=O)[O-]	ZINC001588407986	983429900	/nfs/dbraw/zinc/42/99/00/983429900.db2.gz	UAXGHZJWQXJPCQ-LLVKDONJSA-N	-1	0	299.286	0.471	20	30		CCEDRM
C#CC[C@H](NC(=O)CN1C(=S)N=NC1CCC)C(=O)[O-]	ZINC001588408182	983431041	/nfs/dbraw/zinc/43/10/41/983431041.db2.gz	ZYMNHDMGUFLNTJ-QMMMGPOBSA-N	-1	0	296.352	0.112	20	30		CCEDRM
C#CC[C@H](NC(=O)c1ccsc1C(=O)OC)C(=O)[O-]	ZINC001588415650	983435077	/nfs/dbraw/zinc/43/50/77/983435077.db2.gz	COERJFQKMBDBKE-QMMMGPOBSA-N	-1	0	281.289	0.741	20	30		CCEDRM
C#CC[C@@H](NC(=O)c1ccccc1C(=O)OC)C(=O)[O-]	ZINC001588417098	983438737	/nfs/dbraw/zinc/43/87/37/983438737.db2.gz	XQOHXIVXXJRZKF-LLVKDONJSA-N	-1	0	275.260	0.680	20	30		CCEDRM
C#CC[C@H](NC[C@H]1[C@H](C(=O)[O-])C1(F)F)C(=O)OC	ZINC001588422835	983449114	/nfs/dbraw/zinc/44/91/14/983449114.db2.gz	PWUAXEGPAUCGQQ-BIIVOSGPSA-N	-1	0	261.224	0.107	20	30		CCEDRM
C#CCC[C@@H](O)CNC(=O)NC1CCC(C(=O)[O-])CC1	ZINC001588434607	983471460	/nfs/dbraw/zinc/47/14/60/983471460.db2.gz	OOQBUZZWJMBZHV-HTAVTVPLSA-N	-1	0	282.340	0.703	20	30		CCEDRM
C#CCCN1CCN(C(=O)c2ccc(C(=O)[O-])n2C)CC1	ZINC001588453553	983476124	/nfs/dbraw/zinc/47/61/24/983476124.db2.gz	BNOGKDMFGMQIIA-UHFFFAOYSA-N	-1	0	289.335	0.504	20	30		CCEDRM
C#CCCNS(=O)(=O)c1cncc(C(=O)[O-])c1	ZINC001588453691	983477065	/nfs/dbraw/zinc/47/70/65/983477065.db2.gz	NGUUFKRYKDLBSL-UHFFFAOYSA-N	-1	0	254.267	0.081	20	30		CCEDRM
C#CCCOC(=O)N1C[C@H](C(=O)OC)CC[C@H]1C(=O)[O-]	ZINC001588455494	983479725	/nfs/dbraw/zinc/47/97/25/983479725.db2.gz	NXNLMRAPTOINDZ-ZJUUUORDSA-N	-1	0	283.280	0.485	20	30		CCEDRM
C#CCCOC(=O)N1C[C@@H](C(=O)[O-])CC[C@@H]1C(=O)OC	ZINC001588455677	983480521	/nfs/dbraw/zinc/48/05/21/983480521.db2.gz	QTFQMGVBHPGFII-VHSXEESVSA-N	-1	0	283.280	0.485	20	30		CCEDRM
C#CCN(C(=O)C(=O)NC[C@@H](CC(=O)[O-])C1CC1)C(C)C	ZINC001588457640	983481934	/nfs/dbraw/zinc/48/19/34/983481934.db2.gz	GFCAUEJLNYQTND-GFCCVEGCSA-N	-1	0	294.351	0.474	20	30		CCEDRM
C#CCN(C(=O)[C@@H]1C[C@@H]1C(=O)[O-])C1CCN(CC#N)CC1	ZINC001588460295	983487951	/nfs/dbraw/zinc/48/79/51/983487951.db2.gz	XENVFGZUGGUZMP-OLZOCXBDSA-N	-1	0	289.335	0.157	20	30		CCEDRM
C#CCN(C(=O)c1ccnc(C(=O)[O-])c1)C1CSC1	ZINC001588461486	983490024	/nfs/dbraw/zinc/49/00/24/983490024.db2.gz	RNZVHSKITOOORP-UHFFFAOYSA-N	-1	0	276.317	0.971	20	30		CCEDRM
C#CCN(C)S(=O)(=O)c1cc(F)cc(C(=O)[O-])c1	ZINC001588463812	983492498	/nfs/dbraw/zinc/49/24/98/983492498.db2.gz	LZUCKTWVGKSYDU-UHFFFAOYSA-N	-1	0	271.269	0.778	20	30		CCEDRM
C#CCN(CC#C)C(=O)C(=O)Nc1cc(C(=O)[O-])cs1	ZINC001588464920	983495408	/nfs/dbraw/zinc/49/54/08/983495408.db2.gz	UWDNVAWYFFWWPK-UHFFFAOYSA-N	-1	0	290.300	0.480	20	30		CCEDRM
C#CCN(CC(=O)OC(C)(C)C)C(=O)[C@@H](CC)C(=O)[O-]	ZINC001588465814	983496593	/nfs/dbraw/zinc/49/65/93/983496593.db2.gz	IQRTZIZXVHEQFM-SNVBAGLBSA-N	-1	0	283.324	0.901	20	30		CCEDRM
C#CCN1CCC[C@@H](NC(=O)N2C[C@@H](C)[C@H](C(=O)[O-])C2)C1	ZINC001588475259	983507680	/nfs/dbraw/zinc/50/76/80/983507680.db2.gz	BAJJZEYAFAVYMR-JHJVBQTASA-N	-1	0	293.367	0.446	20	30		CCEDRM
C#CCN1CCC[C@@H](NC(=O)N[C@H]2CC[C@@H](C(=O)[O-])C2)C1	ZINC001588477159	983514704	/nfs/dbraw/zinc/51/47/04/983514704.db2.gz	VQQGOQRHJSAHBQ-FRRDWIJNSA-N	-1	0	293.367	0.637	20	30		CCEDRM
C#CCO[C@H](C)C(=O)N[C@H]1C[C@H]2C[C@@H](C(=O)[O-])C[C@H]21	ZINC001588490479	983532589	/nfs/dbraw/zinc/53/25/89/983532589.db2.gz	NVGAOPWBWHPHPE-OOCWMUITSA-N	-1	0	265.309	0.640	20	30		CCEDRM
C#CCO[C@H](C)C(=O)O[C@@H]1CCCN(CCC(=O)[O-])C1=O	ZINC001588490598	983533428	/nfs/dbraw/zinc/53/34/28/983533428.db2.gz	RAQJOKAOYAYGMZ-GHMZBOCLSA-N	-1	0	297.307	0.034	20	30		CCEDRM
C#CCOCCNS(=O)(=O)[C@@H]1CCCC[C@H]1C(=O)[O-]	ZINC001588490981	983534950	/nfs/dbraw/zinc/53/49/50/983534950.db2.gz	BBQPOMIPUISBMM-GHMZBOCLSA-N	-1	0	289.353	0.199	20	30		CCEDRM
CCN([C@@H](C)C#N)S(=O)(=O)CC1(C(=O)[O-])CC1	ZINC001596179012	983549045	/nfs/dbraw/zinc/54/90/45/983549045.db2.gz	XZKSDTDEKSFHOK-QMMMGPOBSA-N	-1	0	260.315	0.415	20	30		CCEDRM
C#Cc1ccc(S(=O)(=O)N[C@@](C)(COC)C(=O)[O-])cc1	ZINC001588517680	983566048	/nfs/dbraw/zinc/56/60/48/983566048.db2.gz	DZTUEEJTWPCKOJ-ZDUSSCGKSA-N	-1	0	297.332	0.436	20	30		CCEDRM
C#Cc1ccc(S(=O)(=O)N[C@@H](CC)C(=O)[O-])cc1	ZINC001588518311	983569368	/nfs/dbraw/zinc/56/93/68/983569368.db2.gz	ZZGUNPRQLKDLTG-NSHDSACASA-N	-1	0	267.306	0.809	20	30		CCEDRM
C#Cc1cncc(C(=O)N2CCC([C@H](O)C(=O)[O-])CC2)c1	ZINC001588528859	983578633	/nfs/dbraw/zinc/57/86/33/983578633.db2.gz	KAYMUYNDDIMVSK-ZDUSSCGKSA-N	-1	0	288.303	0.361	20	30		CCEDRM
C=C(C)C(C)(C)C(=O)N[C@H](CC1OCCO1)C(=O)[O-]	ZINC001588530189	983583887	/nfs/dbraw/zinc/58/38/87/983583887.db2.gz	UZXJULRRTCKONC-SECBINFHSA-N	-1	0	271.313	0.921	20	30		CCEDRM
C=C(C)C[C@@H](CO)NC(=O)Nc1c(C(=O)[O-])cnn1C	ZINC001588534742	983586583	/nfs/dbraw/zinc/58/65/83/983586583.db2.gz	CJEYBGCKFUWGOZ-QMMMGPOBSA-N	-1	0	282.300	0.567	20	30		CCEDRM
CCN(CC(=O)[O-])CC(=O)N[C@](C)(C#N)C1CC1	ZINC001596222572	983615071	/nfs/dbraw/zinc/61/50/71/983615071.db2.gz	WWKFZGCABPVANH-GFCCVEGCSA-N	-1	0	253.302	0.201	20	30		CCEDRM
C=C(C)C[C@H](NC(C)=O)C(=O)N1C[C@H]2[C@H](C(=O)[O-])[C@H]2C1	ZINC001588546791	983617177	/nfs/dbraw/zinc/61/71/77/983617177.db2.gz	CSVORACBMJNEKS-WHOHXGKFSA-N	-1	0	280.324	0.246	20	30		CCEDRM
CCN(C[C@@H](C)C#N)C(=O)CN1CCOC[C@@H]1CC(=O)[O-]	ZINC001596229575	983621263	/nfs/dbraw/zinc/62/12/63/983621263.db2.gz	AXWNWLFNFCGMMG-RYUDHWBXSA-N	-1	0	297.355	0.170	20	30		CCEDRM
C=C(C)CCC(=O)N[C@H](CC1OCCO1)C(=O)[O-]	ZINC001588554482	983630729	/nfs/dbraw/zinc/63/07/29/983630729.db2.gz	IAIFTTRWWRXHHS-SECBINFHSA-N	-1	0	257.286	0.675	20	30		CCEDRM
C=C(C)C[C@H](NS(=O)(=O)c1ccn(C)n1)C(=O)[O-]	ZINC001588555193	983633357	/nfs/dbraw/zinc/63/33/57/983633357.db2.gz	AWOZVETXERJRBP-QMMMGPOBSA-N	-1	0	273.314	0.118	20	30		CCEDRM
C=C(C)CCNC(=O)N1C[C@H](C(=O)OC)[C@H](C(=O)[O-])C1	ZINC001588559015	983639441	/nfs/dbraw/zinc/63/94/41/983639441.db2.gz	GYWWTCXIKARABP-ZJUUUORDSA-N	-1	0	284.312	0.468	20	30		CCEDRM
C=C(C)CS(=O)(=O)N(C)[C@H](COCC)C(=O)[O-]	ZINC001588577010	983655349	/nfs/dbraw/zinc/65/53/49/983655349.db2.gz	KUMIPBHWKHKEPP-SECBINFHSA-N	-1	0	265.331	0.314	20	30		CCEDRM
C=C(C)CNC(=S)N1C[C@@H](O)C[C@H](C(=O)[O-])C1	ZINC001588585649	983663906	/nfs/dbraw/zinc/66/39/06/983663906.db2.gz	RWZWGMMVXFDREC-IUCAKERBSA-N	-1	0	258.343	0.204	20	30		CCEDRM
C=C(CCC(=O)[O-])C(=O)N(C)[C@H]1CCS(=O)(=O)C1	ZINC001588606635	983697655	/nfs/dbraw/zinc/69/76/55/983697655.db2.gz	CATUJPGQGVZXGO-VIFPVBQESA-N	-1	0	275.326	0.053	20	30		CCEDRM
C=C(CCC(=O)[O-])C(=O)N(CCOC)CCC(=O)OC	ZINC001588612194	983702155	/nfs/dbraw/zinc/70/21/55/983702155.db2.gz	KTGRUPBXVFGYFF-UHFFFAOYSA-N	-1	0	287.312	0.446	20	30		CCEDRM
C=C(CCC(=O)[O-])C(=O)N1CC(=O)N(C)C[C@@H]1C	ZINC001588612355	983702564	/nfs/dbraw/zinc/70/25/64/983702564.db2.gz	OFGDPFIKOORUDD-VIFPVBQESA-N	-1	0	254.286	0.097	20	30		CCEDRM
C=C(CCC(=O)[O-])C(=O)N1CCC(NC(=O)NC)CC1	ZINC001588614107	983706641	/nfs/dbraw/zinc/70/66/41/983706641.db2.gz	MDRPYDJCAAOZNV-UHFFFAOYSA-N	-1	0	283.328	0.327	20	30		CCEDRM
C=C(CCC(=O)[O-])C(=O)N1CCC(c2nc(N)n[nH]2)CC1	ZINC001588614273	983706941	/nfs/dbraw/zinc/70/69/41/983706941.db2.gz	PZQNDJYQCRXOHM-UHFFFAOYSA-N	-1	0	293.327	0.514	20	30		CCEDRM
C=C(CCC(=O)[O-])C(=O)N1CCN2C(=O)OCC[C@@H]2C1	ZINC001588615081	983709794	/nfs/dbraw/zinc/70/97/94/983709794.db2.gz	JGPITIPFCDVPNJ-SNVBAGLBSA-N	-1	0	282.296	0.461	20	30		CCEDRM
C=C(CCC(=O)[O-])C(=O)N[C@@H](C(N)=O)c1ccc(F)cc1	ZINC001588619298	983715842	/nfs/dbraw/zinc/71/58/42/983715842.db2.gz	QDOKAIORUGAFCE-GFCCVEGCSA-N	-1	0	294.282	0.889	20	30		CCEDRM
C=C(CCC(=O)[O-])C(=O)N[C@@H](C(=O)OC)C(C)C	ZINC001588619577	983717456	/nfs/dbraw/zinc/71/74/56/983717456.db2.gz	YRBFEXGQMISCAG-SNVBAGLBSA-N	-1	0	257.286	0.721	20	30		CCEDRM
C=C(CCC(=O)[O-])C(=O)N1CCOC[C@@H]1c1ncon1	ZINC001588619613	983717908	/nfs/dbraw/zinc/71/79/08/983717908.db2.gz	ZKXWPZYLTIRBCO-SECBINFHSA-N	-1	0	281.268	0.391	20	30		CCEDRM
C=C(CCC(=O)[O-])C(=O)N[C@H](C)c1ncnn1C	ZINC001588622093	983721844	/nfs/dbraw/zinc/72/18/44/983721844.db2.gz	OQWSNRUNPAMIRO-MRVPVSSYSA-N	-1	0	252.274	0.413	20	30		CCEDRM
CCN(CCC#N)S(=O)(=O)N[C@H](CC1CC1)C(=O)[O-]	ZINC001596300307	983729140	/nfs/dbraw/zinc/72/91/40/983729140.db2.gz	UBIXBCLGFBPRTP-SNVBAGLBSA-N	-1	0	289.357	0.310	20	30		CCEDRM
C=C(CCC(=O)[O-])C(=O)N[C@H]1CCN(C(=O)OCC)C1	ZINC001588623737	983729661	/nfs/dbraw/zinc/72/96/61/983729661.db2.gz	WDQVZTUFRAGJGH-JTQLQIEISA-N	-1	0	284.312	0.754	20	30		CCEDRM
C=C(CCC(=O)[O-])C(=O)NC[C@@H]1CCOC[C@H]1OC	ZINC001588624466	983732928	/nfs/dbraw/zinc/73/29/28/983732928.db2.gz	JSDSZDYZHJZWLG-WDEREUQCSA-N	-1	0	271.313	0.575	20	30		CCEDRM
C=C(CCC(=O)OC)C(=O)NC[C@H]1CCO[C@H]1C(=O)[O-]	ZINC001588632934	983747015	/nfs/dbraw/zinc/74/70/15/983747015.db2.gz	FPZRNJBZQOOMCO-MWLCHTKSSA-N	-1	0	285.296	0.102	20	30		CCEDRM
C=C(CCC(=O)[O-])C(=O)Nc1cncc(OC)n1	ZINC001588633643	983750344	/nfs/dbraw/zinc/75/03/44/983750344.db2.gz	LHQZOEQZTBQBLK-UHFFFAOYSA-N	-1	0	251.242	0.845	20	30		CCEDRM
C=C[C@@H](C(=O)[O-])N(C)[C@@H]1CCN(CC(F)(F)F)C1=O	ZINC001588664479	983800677	/nfs/dbraw/zinc/80/06/77/983800677.db2.gz	QLQQTQWKDNDOKU-JGVFFNPUSA-N	-1	0	280.246	0.721	20	30		CCEDRM
C=C[C@@H](C(=O)[O-])N1CCN(Cc2cscn2)CC1	ZINC001588669887	983816602	/nfs/dbraw/zinc/81/66/02/983816602.db2.gz	RBHRICITCCROCJ-NSHDSACASA-N	-1	0	267.354	0.900	20	30		CCEDRM
C=C[C@@H](C(=O)OC)N1CCC[C@@](O)(C2(C(=O)[O-])CCC2)C1	ZINC001588672175	983824044	/nfs/dbraw/zinc/82/40/44/983824044.db2.gz	PDQFMOLMYZYPTO-NHYWBVRUSA-N	-1	0	297.351	0.796	20	30		CCEDRM
C=CC(C)(C)CC(=O)N[C@@H](CC1OCCO1)C(=O)[O-]	ZINC001588673107	983828269	/nfs/dbraw/zinc/82/82/69/983828269.db2.gz	JFNFULCRHSRJLP-VIFPVBQESA-N	-1	0	271.313	0.921	20	30		CCEDRM
C=C[C@@H](O)C(=O)Nc1ccc(C(=O)NCCC(=O)[O-])cc1	ZINC001588705394	983926971	/nfs/dbraw/zinc/92/69/71/983926971.db2.gz	MOTATGUXNRVCJH-LLVKDONJSA-N	-1	0	292.291	0.377	20	30		CCEDRM
C=C[C@H](OC(=O)Cn1c(C)c(C)sc1=O)C(=O)[O-]	ZINC001588710573	983932711	/nfs/dbraw/zinc/93/27/11/983932711.db2.gz	FNKNGARHINNDHK-QMMMGPOBSA-N	-1	0	271.294	0.709	20	30		CCEDRM
C=C[C@@H](OC(=O)[C@@H]1CCc2ncncc2C1)C(=O)[O-]	ZINC001588711285	983936866	/nfs/dbraw/zinc/93/68/66/983936866.db2.gz	NRQPMYABABGNTH-LDYMZIIASA-N	-1	0	262.265	0.764	20	30		CCEDRM
C=C[C@H](OC(=O)[C@@H]1CCCN(C(C)=O)C1)C(=O)[O-]	ZINC001588711245	983936871	/nfs/dbraw/zinc/93/68/71/983936871.db2.gz	NHRALIMOUJGHRZ-ZJUUUORDSA-N	-1	0	255.270	0.427	20	30		CCEDRM
C=C[C@@H](OC(=O)c1ccc(N2CCOCC2)nc1)C(=O)[O-]	ZINC001588711613	983938688	/nfs/dbraw/zinc/93/86/88/983938688.db2.gz	BZALZKAPYMNKCJ-LLVKDONJSA-N	-1	0	292.291	0.714	20	30		CCEDRM
C=CC[C@H](C)NC(=O)CN1CCC[C@@H](C(=O)[O-])C1=O	ZINC001588736960	984027684	/nfs/dbraw/zinc/02/76/84/984027684.db2.gz	ZYNYACUWBVLOFF-VHSXEESVSA-N	-1	0	268.313	0.390	20	30		CCEDRM
C=CC[C@@H](CO)NC(=O)NCC(C)(C)CC(=O)[O-]	ZINC001588744493	984043086	/nfs/dbraw/zinc/04/30/86/984043086.db2.gz	NEKULBWUMTYBTN-VIFPVBQESA-N	-1	0	258.318	0.724	20	30		CCEDRM
C=CC[C@H](Nc1ccc(N2CCNC(=O)C2)nc1)C(=O)[O-]	ZINC001588750872	984074702	/nfs/dbraw/zinc/07/47/02/984074702.db2.gz	HFYMMGNBDQLWBI-NSHDSACASA-N	-1	0	290.323	0.459	20	30		CCEDRM
C=CC[C@@H](OC(=O)[C@@H](CC(C)C)C(N)=O)C(=O)[O-]	ZINC001588751006	984075226	/nfs/dbraw/zinc/07/52/26/984075226.db2.gz	JNSNIGMRDWEHNT-DTWKUNHWSA-N	-1	0	257.286	0.707	20	30		CCEDRM
C=CC[C@H](OC(=O)[C@@H](CC(C)C)C(N)=O)C(=O)[O-]	ZINC001588751007	984075328	/nfs/dbraw/zinc/07/53/28/984075328.db2.gz	JNSNIGMRDWEHNT-IUCAKERBSA-N	-1	0	257.286	0.707	20	30		CCEDRM
C=CC[C@@H](OC(=O)Cc1ccc(C(N)=O)cc1)C(=O)[O-]	ZINC001588753255	984084297	/nfs/dbraw/zinc/08/42/97/984084297.db2.gz	DDXRJCASNGFFJQ-LLVKDONJSA-N	-1	0	277.276	0.901	20	30		CCEDRM
C=CC[C@H](OC(=O)Cn1cc(C2CC2)nn1)C(=O)[O-]	ZINC001588754085	984091656	/nfs/dbraw/zinc/09/16/56/984091656.db2.gz	SLTVGYKGWSJJRC-JTQLQIEISA-N	-1	0	265.269	0.728	20	30		CCEDRM
C=CC[C@@H](OC(=O)[C@@H]1CC[C@H](C(N)=O)C1)C(=O)[O-]	ZINC001588756710	984098876	/nfs/dbraw/zinc/09/88/76/984098876.db2.gz	NDZJLKYGKIQNJB-DJLDLDEBSA-N	-1	0	255.270	0.461	20	30		CCEDRM
C=CC[C@H](OC(=O)c1ccc(S(C)(=O)=O)o1)C(=O)[O-]	ZINC001588756749	984099402	/nfs/dbraw/zinc/09/94/02/984099402.db2.gz	OFSURQDOMSKWCM-ZETCQYMHSA-N	-1	0	288.277	0.869	20	30		CCEDRM
C=CC[C@H]1CCCN(C(=O)C(=O)NC[C@H]2C[C@H]2C(=O)[O-])C1	ZINC001588770602	984135054	/nfs/dbraw/zinc/13/50/54/984135054.db2.gz	BHRJKKUBLCBJQA-QJPTWQEYSA-N	-1	0	294.351	0.638	20	30		CCEDRM
C=CCCC(=O)NCCCN(C)C(=O)[C@@H]1C[C@@H]1C(=O)[O-]	ZINC001588777348	984156061	/nfs/dbraw/zinc/15/60/61/984156061.db2.gz	ZXRKKMPITCYRQN-MNOVXSKESA-N	-1	0	282.340	0.638	20	30		CCEDRM
C=CCC[C@H](CO)NC(=O)CCSCC(=O)[O-]	ZINC001588778258	984160365	/nfs/dbraw/zinc/16/03/65/984160365.db2.gz	ZFMFVFGUEICVCS-SECBINFHSA-N	-1	0	261.343	0.638	20	30		CCEDRM
C=CCCC[C@H](NC(=O)[C@@H]1CCN(C)C1=O)C(=O)[O-]	ZINC001588789797	984201030	/nfs/dbraw/zinc/20/10/30/984201030.db2.gz	JWGUQYMEWBERQG-UWVGGRQHSA-N	-1	0	268.313	0.390	20	30		CCEDRM
C=CCCC[C@@H](NC(=O)C[C@H]1COC(=O)C1)C(=O)[O-]	ZINC001588789886	984202086	/nfs/dbraw/zinc/20/20/86/984202086.db2.gz	MCHJPRNIHZDQLS-NXEZZACHSA-N	-1	0	269.297	0.865	20	30		CCEDRM
C=CCCC[C@@H](NC(=O)c1cn(C)ccc1=O)C(=O)[O-]	ZINC001588793743	984221046	/nfs/dbraw/zinc/22/10/46/984221046.db2.gz	ZTOVKTOIAGTCBJ-LLVKDONJSA-N	-1	0	278.308	0.925	20	30		CCEDRM
C=CCCC[C@@H](NC(=O)c1nc2ncccn2n1)C(=O)[O-]	ZINC001588797998	984232761	/nfs/dbraw/zinc/23/27/61/984232761.db2.gz	QPDSAWOIOJONBG-SECBINFHSA-N	-1	0	289.295	0.664	20	30		CCEDRM
C=CCCCNC(=O)NCCC(=O)NCCC(=O)[O-]	ZINC001588803794	984252393	/nfs/dbraw/zinc/25/23/93/984252393.db2.gz	LCDGZLOVEUCDQM-UHFFFAOYSA-N	-1	0	271.317	0.233	20	30		CCEDRM
C=CCCOCCNS(=O)(=O)CC(C)(C)C(=O)[O-]	ZINC001588813323	984269264	/nfs/dbraw/zinc/26/92/64/984269264.db2.gz	MNOPOKBNQYHSHJ-UHFFFAOYSA-N	-1	0	279.358	0.609	20	30		CCEDRM
C=CCNC(=O)[C@@H](C)OC(=O)[C@H]1C[C@@H](C)[C@H](C(=O)[O-])O1	ZINC001588838380	984337454	/nfs/dbraw/zinc/33/74/54/984337454.db2.gz	DVHCCJKNHLVZOO-ZYUZMQFOSA-N	-1	0	285.296	0.099	20	30		CCEDRM
C=CCN1CC[C@H](OC(=O)[C@@H](CC)C(=O)[O-])C1=O	ZINC001588838863	984342134	/nfs/dbraw/zinc/34/21/34/984342134.db2.gz	KOLWASOYFNJNQF-IUCAKERBSA-N	-1	0	255.270	0.427	20	30		CCEDRM
C=CCN1CC[C@H](OC(=O)C23CC(C(=O)[O-])(C2)C3)C1=O	ZINC001588839772	984349607	/nfs/dbraw/zinc/34/96/07/984349607.db2.gz	VDMJDLGXWXVTRW-SQNUNTJVSA-N	-1	0	279.292	0.571	20	30		CCEDRM
C=CCOC[C@H](NC(=O)[C@@H]1CC(=O)N(CCC)C1)C(=O)[O-]	ZINC001588855252	984391850	/nfs/dbraw/zinc/39/18/50/984391850.db2.gz	FAEDWTVQBXAKNM-MNOVXSKESA-N	-1	0	298.339	0.017	20	30		CCEDRM
C=CCOC[C@@H](NC(=O)c1ccc(C#N)cc1)C(=O)[O-]	ZINC001588859155	984403505	/nfs/dbraw/zinc/40/35/05/984403505.db2.gz	BHOKEPGBBWONCT-GFCCVEGCSA-N	-1	0	274.276	0.944	20	30		CCEDRM
C=CCOC[C@H](NC(=O)c1cc(C=O)cn1C)C(=O)[O-]	ZINC001588859421	984405399	/nfs/dbraw/zinc/40/53/99/984405399.db2.gz	LDJMJWLFHNAPQY-JTQLQIEISA-N	-1	0	280.280	0.223	20	30		CCEDRM
C=CCOC[C@H](NC(=O)c1c[nH]nc1CC)C(=O)[O-]	ZINC001588860021	984410034	/nfs/dbraw/zinc/41/00/34/984410034.db2.gz	GEFWAKXTPNYQLJ-JTQLQIEISA-N	-1	0	267.285	0.358	20	30		CCEDRM
C=CCOC[C@H](NC(=O)c1ocnc1CC)C(=O)[O-]	ZINC001588860564	984414227	/nfs/dbraw/zinc/41/42/27/984414227.db2.gz	YMTCBQBMGMGJHA-VIFPVBQESA-N	-1	0	268.269	0.623	20	30		CCEDRM
C=CCOC[C@H](NCc1ncccc1F)C(=O)[O-]	ZINC001588866806	984427951	/nfs/dbraw/zinc/42/79/51/984427951.db2.gz	QLHINGIYMHNZLW-NSHDSACASA-N	-1	0	254.261	0.966	20	30		CCEDRM
C=CCOc1cccc(NC(=O)N2CC(O)(C(=O)[O-])C2)c1	ZINC001588872936	984443782	/nfs/dbraw/zinc/44/37/82/984443782.db2.gz	UJUXPSUENBMLKB-UHFFFAOYSA-N	-1	0	292.291	0.915	20	30		CCEDRM
C=C[C@H](CO)N[C@@H]1CCN(c2sccc2C(=O)[O-])C1=O	ZINC001588919183	984569870	/nfs/dbraw/zinc/56/98/70/984569870.db2.gz	AIUSLZXZXWVUHX-PSASIEDQSA-N	-1	0	296.348	0.688	20	30		CCEDRM
CC#CCCCC(=O)N1CCOC[C@H]1CC(=O)[O-]	ZINC001588925286	984586361	/nfs/dbraw/zinc/58/63/61/984586361.db2.gz	OKGYDOAABUZPAO-LLVKDONJSA-N	-1	0	253.298	0.882	20	30		CCEDRM
C/C(=C/Cn1c(=O)c(C#N)c(C)n(C2CC2)c1=O)C(=O)[O-]	ZINC001588990616	984910781	/nfs/dbraw/zinc/91/07/81/984910781.db2.gz	BUJSWWCEPAXDKY-YVMONPNESA-N	-1	0	289.291	0.556	20	30		CCEDRM
CC(=O)C(C)=NOCC(=O)NC1(C(=O)[O-])CCCCC1	ZINC001589023962	985027300	/nfs/dbraw/zinc/02/73/00/985027300.db2.gz	YYOLJBMFBFQOJT-UHFFFAOYSA-N	-1	0	284.312	0.872	20	30		CCEDRM
CC(=O)N1CCCC[C@@H]1C(=O)N(CC#N)CCC(=O)[O-]	ZINC001589070775	985213008	/nfs/dbraw/zinc/21/30/08/985213008.db2.gz	OTRVGMNLQRERJJ-LLVKDONJSA-N	-1	0	281.312	0.214	20	30		CCEDRM
CCOC[C@H](C(=O)[O-])N(C)C(=O)c1ccc(C#N)c(O)c1	ZINC001596876056	985724094	/nfs/dbraw/zinc/72/40/94/985724094.db2.gz	SDHIKQSULSWYRK-LLVKDONJSA-N	-1	0	292.291	0.826	20	30		CCEDRM
CC(=O)c1[nH]c(CC(=O)NCC#N)c(C(=O)[O-])c1C	ZINC001589241040	985819238	/nfs/dbraw/zinc/81/92/38/985819238.db2.gz	DGRFWDHUNYZIHF-UHFFFAOYSA-N	-1	0	263.253	0.406	20	30		CCEDRM
C[C@@H]1CN(Cc2cc(C(=O)[O-])no2)C[C@H](C)N1CC#N	ZINC001594534807	986143848	/nfs/dbraw/zinc/14/38/48/986143848.db2.gz	KNFJWZTZEBNRMD-AOOOYVTPSA-N	-1	0	278.312	0.791	20	30		CCEDRM
C[C@H](C#N)CNC(=O)NC[C@H](CC(=O)[O-])C1CC1	ZINC001589330751	986178312	/nfs/dbraw/zinc/17/83/12/986178312.db2.gz	PGAMLHIRTJNTQE-SCZZXKLOSA-N	-1	0	253.302	0.946	20	30		CCEDRM
C[C@@H](C#N)CN(CCc1cn(CC(=O)[O-])nn1)C1CC1	ZINC001589330798	986178392	/nfs/dbraw/zinc/17/83/92/986178392.db2.gz	QVAQFCGLAINGRD-JTQLQIEISA-N	-1	0	277.328	0.529	20	30		CCEDRM
C[C@@H](C#N)CNC(=O)N1CC[C@@H](C(=O)[O-])[C@@H](C)C1	ZINC001589330839	986179440	/nfs/dbraw/zinc/17/94/40/986179440.db2.gz	RRZFVQQZXGSQSA-LPEHRKFASA-N	-1	0	253.302	0.898	20	30		CCEDRM
C[C@@H](OCc1cn(CCO[C@@H](C)C#N)nn1)C(=O)[O-]	ZINC001589331573	986188814	/nfs/dbraw/zinc/18/88/14/986188814.db2.gz	IPFBMFJGSKNMOP-DTWKUNHWSA-N	-1	0	268.273	0.196	20	30		CCEDRM
C[C@@H](C#N)N(C(=O)CN1CCC[C@H](C(=O)[O-])C1=O)C1CC1	ZINC001589331592	986188876	/nfs/dbraw/zinc/18/88/76/986188876.db2.gz	IWPJUMFLPXLIIK-ONGXEEELSA-N	-1	0	293.323	0.213	20	30		CCEDRM
C[C@H](C#N)OC(=O)Cn1cccc(C(=O)[O-])c1=O	ZINC001589331821	986192487	/nfs/dbraw/zinc/19/24/87/986192487.db2.gz	PXUUGFMXRHOIMX-SSDOTTSWSA-N	-1	0	250.210	0.002	20	30		CCEDRM
C[C@@H](C(=O)N1CCC[C@@H]1CC(=O)[O-])n1cnc(C#N)n1	ZINC001589356376	986337267	/nfs/dbraw/zinc/33/72/67/986337267.db2.gz	KIKNHGDLCSYYTP-DTWKUNHWSA-N	-1	0	277.284	0.176	20	30		CCEDRM
C[C@@H]1CN(c2cnc(C(=O)[O-])cn2)C[C@H](C)N1CC#N	ZINC001594583913	986453306	/nfs/dbraw/zinc/45/33/06/986453306.db2.gz	UOOYLVFNZBNQLP-AOOOYVTPSA-N	-1	0	275.312	0.597	20	30		CCEDRM
C[C@@H]1CO[C@@H](C(=O)N2CCC(C#N)(C(=O)[O-])CC2)C1	ZINC001594586929	986483711	/nfs/dbraw/zinc/48/37/11/986483711.db2.gz	LLKOGGGKQHFTDN-VHSXEESVSA-N	-1	0	266.297	0.628	20	30		CCEDRM
C[C@H]1COCC[C@H]1C(=O)N1CCC(C#N)(C(=O)[O-])CC1	ZINC001594595956	986514749	/nfs/dbraw/zinc/51/47/49/986514749.db2.gz	LYRJADAPTVDUPG-WDEREUQCSA-N	-1	0	280.324	0.876	20	30		CCEDRM
CC(C)(C#N)CS(=O)(=O)NCCCCC(=O)[O-]	ZINC001589557958	987308745	/nfs/dbraw/zinc/30/87/45/987308745.db2.gz	JMDKZNARCRADAS-UHFFFAOYSA-N	-1	0	262.331	0.710	20	30		CCEDRM
CCc1[nH]c(C(=O)N[C@H](C#N)CO)c(C)c1C(=O)[O-]	ZINC001597363549	987530438	/nfs/dbraw/zinc/53/04/38/987530438.db2.gz	JXJZTYWCNBJNMG-SSDOTTSWSA-N	-1	0	265.269	0.198	20	30		CCEDRM
CC(C)(C(N)=O)C(=O)OCc1cccc(C(=O)[O-])c1C#N	ZINC001589681716	987714007	/nfs/dbraw/zinc/71/40/07/987714007.db2.gz	ATRRTSRBJLEZMJ-UHFFFAOYSA-N	-1	0	290.275	0.811	20	30		CCEDRM
CCc1cc(C(=O)N2CCC(C#N)(C(=O)[O-])CC2)n(C)n1	ZINC001597426272	987751103	/nfs/dbraw/zinc/75/11/03/987751103.db2.gz	FHSSUKWICHSYNX-UHFFFAOYSA-N	-1	0	290.323	0.813	20	30		CCEDRM
C[C@@H](C#N)NS(=O)(=O)c1cc(F)ccc1C(=O)[O-]	ZINC001599830029	988658157	/nfs/dbraw/zinc/65/81/57/988658157.db2.gz	BLPKEGFXPOGZPL-LURJTMIESA-N	-1	0	272.257	0.714	20	30		CCEDRM
C[C@@H](C(=O)[O-])N(C)S(=O)(=O)Cc1csc(C#N)c1	ZINC001599830900	988672264	/nfs/dbraw/zinc/67/22/64/988672264.db2.gz	LGSIJICDZBOLOZ-ZETCQYMHSA-N	-1	0	288.350	0.854	20	30		CCEDRM
CC(C)(C)OC(=O)N1CC2(C1)CN(CC#N)C[C@H]2C(=O)[O-]	ZINC001589946969	988735310	/nfs/dbraw/zinc/73/53/10/988735310.db2.gz	CLRGOTLNHXDMRV-JTQLQIEISA-N	-1	0	295.339	0.763	20	30		CCEDRM
CCc1nnc(Cn2cc(C(=O)[O-])cc(C#N)c2=O)[nH]1	ZINC001597673286	988772530	/nfs/dbraw/zinc/77/25/30/988772530.db2.gz	NRSHBYLHODVAAK-UHFFFAOYSA-N	-1	0	273.252	0.147	20	30		CCEDRM
C[C@@H]1C[C@H](C(=O)N(CC#N)C2CC2)O[C@H]1C(=O)[O-]	ZINC001599871743	989361149	/nfs/dbraw/zinc/36/11/49/989361149.db2.gz	AXWOKUCVGZOHQU-SZEHBUNVSA-N	-1	0	252.270	0.379	20	30		CCEDRM
CCn1cc(CCn2cc(C(=O)[O-])cc(C#N)c2=O)cn1	ZINC001597885762	989726682	/nfs/dbraw/zinc/72/66/82/989726682.db2.gz	KZXWUKQAMGPKTO-UHFFFAOYSA-N	-1	0	286.291	0.877	20	30		CCEDRM
CCn1ncn(N=Cc2cc(C(=O)[O-])c(C)n2C)c1=O	ZINC001597967810	990009500	/nfs/dbraw/zinc/00/95/00/990009500.db2.gz	DNZMOBHOXUGIRP-UHFFFAOYSA-N	-1	0	277.284	0.292	20	30		CCEDRM
CN(C(=O)[C@H]1CC[C@@H](C(=O)[O-])O1)[C@@H]1CCC[C@H]1C#N	ZINC001598072020	990368149	/nfs/dbraw/zinc/36/81/49/990368149.db2.gz	FAVYEEUNKJOFOL-ZDCRXTMVSA-N	-1	0	266.297	0.769	20	30		CCEDRM
CN(C)C(=S)NN=Cc1ccc(C(=O)[O-])n1C	ZINC001598163339	990669654	/nfs/dbraw/zinc/66/96/54/990669654.db2.gz	RMBRCKQDIHPSKB-UHFFFAOYSA-N	-1	0	254.315	0.493	20	30		CCEDRM
CC(C)C#CC(=O)N[C@@H](C[C@H]1CCCO1)C(=O)[O-]	ZINC001590927057	990929748	/nfs/dbraw/zinc/92/97/48/990929748.db2.gz	PZKGYDISBDLYRF-MNOVXSKESA-N	-1	0	253.298	0.784	20	30		CCEDRM
CC(C)C#CC(=O)N1CC[C@]2(CC(C(=O)[O-])=NO2)C1	ZINC001590927325	990933242	/nfs/dbraw/zinc/93/32/42/990933242.db2.gz	ZHDRCOFANWCEBA-ZDUSSCGKSA-N	-1	0	264.281	0.478	20	30		CCEDRM
CC(C)[C@H](C#N)N1CCN(c2ccc(C(=O)[O-])nn2)CC1	ZINC001590954337	991023058	/nfs/dbraw/zinc/02/30/58/991023058.db2.gz	WQKBHPDVGSTMQR-LBPRGKRZSA-N	-1	0	289.339	0.845	20	30		CCEDRM
CN(CC#N)C(=O)[C@H](CC(=O)[O-])NC(=O)OC(C)(C)C	ZINC001598376359	991565278	/nfs/dbraw/zinc/56/52/78/991565278.db2.gz	RPFAZZKSQZZQDC-QMMMGPOBSA-N	-1	0	285.300	0.336	20	30		CCEDRM
CN(CC(=O)NC1(C#N)CCC1)C1(C(=O)[O-])CCCC1	ZINC001598386675	991609818	/nfs/dbraw/zinc/60/98/18/991609818.db2.gz	INQBKEDNURNWQA-UHFFFAOYSA-N	-1	0	279.340	0.878	20	30		CCEDRM
COc1nnc(CN(CC#N)CCC(=O)[O-])s1	ZINC001599738487	991810951	/nfs/dbraw/zinc/81/09/51/991810951.db2.gz	QWPJKBHRWDPFFN-UHFFFAOYSA-N	-1	0	256.287	0.347	20	30		CCEDRM
CN(CCNC(=O)[C@H]1C[C@@H]1C(=O)[O-])c1ccncc1C#N	ZINC001598490537	992282915	/nfs/dbraw/zinc/28/29/15/992282915.db2.gz	ISUAQXUUBBPLOB-QWRGUYRKSA-N	-1	0	288.307	0.226	20	30		CCEDRM
CN(CCNC(=O)[C@@H]1C[C@H]1C(=O)[O-])c1ncccc1C#N	ZINC001598491846	992305620	/nfs/dbraw/zinc/30/56/20/992305620.db2.gz	WQJAEIAFBKLUIF-GHMZBOCLSA-N	-1	0	288.307	0.226	20	30		CCEDRM
CN(CCNC(=O)[C@H]1C[C@H]1C(=O)[O-])c1ncccc1C#N	ZINC001598491849	992305690	/nfs/dbraw/zinc/30/56/90/992305690.db2.gz	WQJAEIAFBKLUIF-WDEREUQCSA-N	-1	0	288.307	0.226	20	30		CCEDRM
CN(CN1C[C@@H](C(=O)[O-])OC1=O)[C@H]1CCC[C@@H]1C#N	ZINC001598503368	992466098	/nfs/dbraw/zinc/46/60/98/992466098.db2.gz	HHULREUBRBFJLL-UTLUCORTSA-N	-1	0	267.285	0.473	20	30		CCEDRM
CC(C)C[C@H](NC(=O)CNc1ccc(C#N)nc1)C(=O)[O-]	ZINC001591462420	992573289	/nfs/dbraw/zinc/57/32/89/992573289.db2.gz	JKWVIPOFJALRDQ-LBPRGKRZSA-N	-1	0	290.323	0.981	20	30		CCEDRM
CN1C(=O)CN(N=Cc2cc(C(=O)[O-])ccc2O)C1=O	ZINC001598550881	993001568	/nfs/dbraw/zinc/00/15/68/993001568.db2.gz	CUPMOBDGCWEECW-UHFFFAOYSA-N	-1	0	277.236	0.318	20	30		CCEDRM
COc1ccc(OS(=O)(=O)C[C@@H](C)C(=O)[O-])cc1C#N	ZINC001599606443	993892417	/nfs/dbraw/zinc/89/24/17/993892417.db2.gz	FQFDPLOIWXSBAM-MRVPVSSYSA-N	-1	0	299.304	0.996	20	30		CCEDRM
C[C@H](OC(=O)CC#Cc1ccccc1)C(=O)NCC(=O)[O-]	ZINC001593517031	995550407	/nfs/dbraw/zinc/55/04/07/995550407.db2.gz	SVJXCOKZOHYUFN-NSHDSACASA-N	-1	0	289.287	0.561	20	30		CCEDRM
COC(=O)[C@@H]1C[C@H](C(=O)[O-])CCN1C(=O)C#CC1CC1	ZINC001598739639	995556969	/nfs/dbraw/zinc/55/69/69/995556969.db2.gz	CJENPHQSOVFEAB-MNOVXSKESA-N	-1	0	279.292	0.265	20	30		CCEDRM
COC(=O)[C@@H]1CC[C@H](C(=O)[O-])N(C(=O)CCCC#N)C1	ZINC001598772153	995893096	/nfs/dbraw/zinc/89/30/96/995893096.db2.gz	FMBCAHNLAFTBOV-NXEZZACHSA-N	-1	0	282.296	0.545	20	30		CCEDRM
C[C@@]1(C#N)CN([C@H]2CCCN(CCC(=O)[O-])C2=O)CCO1	ZINC001593743329	996367356	/nfs/dbraw/zinc/36/73/56/996367356.db2.gz	NLABYWHMHBMSTJ-SMDDNHRTSA-N	-1	0	295.339	0.067	20	30		CCEDRM
C[C@@]1(C#N)CN(Cc2cncc(C(=O)[O-])c2)CCO1	ZINC001593743688	996370209	/nfs/dbraw/zinc/37/02/09/996370209.db2.gz	YWHDDJHZOJSWEB-CYBMUJFWSA-N	-1	0	261.281	0.894	20	30		CCEDRM
C[C@@]1(C#N)CN(C(=O)NCC2(C(=O)[O-])CC2)CCO1	ZINC001593743719	996370803	/nfs/dbraw/zinc/37/08/03/996370803.db2.gz	ZUGAKDWQHIXZCS-LLVKDONJSA-N	-1	0	267.285	0.175	20	30		CCEDRM
COC(=O)[C@H]1CN(c2ccncc2C#N)C[C@H]1C(=O)[O-]	ZINC001598825244	996374823	/nfs/dbraw/zinc/37/48/23/996374823.db2.gz	CJFGXTOJVMCQQL-ZJUUUORDSA-N	-1	0	275.264	0.263	20	30		CCEDRM
COC(=O)CCN(CC#N)C(=O)CCCC(=O)[O-]	ZINC001598855021	996630973	/nfs/dbraw/zinc/63/09/73/996630973.db2.gz	MAEUCHSVHVCCRP-UHFFFAOYSA-N	-1	0	256.258	0.157	20	30		CCEDRM
COC[C@H](NC(=O)c1cccc(C#N)c1C)C(=O)[O-]	ZINC001599173948	996805401	/nfs/dbraw/zinc/80/54/01/996805401.db2.gz	FZEYDMROEOZLQP-NSHDSACASA-N	-1	0	262.265	0.696	20	30		CCEDRM
COC[C@@H](NC(=O)c1ccccc1CC#N)C(=O)[O-]	ZINC001599174004	996806907	/nfs/dbraw/zinc/80/69/07/996806907.db2.gz	HMBIGQDBFHFQDF-LLVKDONJSA-N	-1	0	262.265	0.582	20	30		CCEDRM
C[C@@]1(CCC(=O)[O-])NC(=O)N(CC2(C#N)CCC2)C1=O	ZINC001594003261	997397839	/nfs/dbraw/zinc/39/78/39/997397839.db2.gz	SFFZDEFULZKYIR-LBPRGKRZSA-N	-1	0	279.296	0.856	20	30		CCEDRM
COCC[C@@H](/N=C\c1ccc(O)c(O)c1O)C(=O)[O-]	ZINC001599213812	997548288	/nfs/dbraw/zinc/54/82/88/997548288.db2.gz	RJZGZUPXTXMPSM-NWKJQJTJSA-N	-1	0	269.253	0.712	20	30		CCEDRM
CON=CC(=O)Nc1ccc(C(=O)NCCC(=O)[O-])cc1	ZINC001599320473	997571811	/nfs/dbraw/zinc/57/18/11/997571811.db2.gz	HEPASMXJFDZUHS-UHFFFAOYSA-N	-1	0	293.279	0.462	20	30		CCEDRM
CON=CC(=O)Nc1ccc(C(=O)[O-])c(OC)c1	ZINC001599320484	997572495	/nfs/dbraw/zinc/57/24/95/997572495.db2.gz	HSNKZDGFHBVYFR-UHFFFAOYSA-N	-1	0	252.226	0.964	20	30		CCEDRM
CO[C@@H]1CN(C(=O)c2cc(C#N)c[nH]2)[C@@](C)(C(=O)[O-])C1	ZINC001599128511	997896516	/nfs/dbraw/zinc/89/65/16/997896516.db2.gz	ABUOPWUJOXGRJF-TVQRCGJNSA-N	-1	0	277.280	0.591	20	30		CCEDRM
COCCN(CC#N)Cc1cc(C)c(C(=O)[O-])[nH]1	ZINC001599233354	997902504	/nfs/dbraw/zinc/90/25/04/997902504.db2.gz	LASYTAJLQFASTL-UHFFFAOYSA-N	-1	0	251.286	0.993	20	30		CCEDRM
COCCN(CC#N)S(=O)(=O)c1cccc(C(=O)[O-])c1	ZINC001599233734	997909097	/nfs/dbraw/zinc/90/90/97/997909097.db2.gz	XJUSJJYXOPEHNR-UHFFFAOYSA-N	-1	0	298.320	0.545	20	30		CCEDRM
CO[C@H]1CN(C(=O)c2cccc(C#N)n2)[C@@](C)(C(=O)[O-])C1	ZINC001599131316	997950348	/nfs/dbraw/zinc/95/03/48/997950348.db2.gz	BOCBUXDLJNEZTC-QMTHXVAHSA-N	-1	0	289.291	0.657	20	30		CCEDRM
COC[C@](C)(C#N)NC(=O)c1cncc(C(=O)[O-])c1	ZINC001599144195	998183892	/nfs/dbraw/zinc/18/38/92/998183892.db2.gz	ZXQCHMDDLBTRSK-LBPRGKRZSA-N	-1	0	263.253	0.438	20	30		CCEDRM
COc1cc(S(=O)(=O)NC2(C#N)CC2)ccc1C(=O)[O-]	ZINC001599459335	998244592	/nfs/dbraw/zinc/24/45/92/998244592.db2.gz	JBIRSSAHOAWQSJ-UHFFFAOYSA-N	-1	0	296.304	0.728	20	30		CCEDRM
COC[C@H](NC(=O)CNc1ccc(C#N)cc1)C(=O)[O-]	ZINC001599168478	998577498	/nfs/dbraw/zinc/57/74/98/998577498.db2.gz	COEDXSSROGSQPP-NSHDSACASA-N	-1	0	277.280	0.186	20	30		CCEDRM
C[C@H](C(=O)N1CC[C@@H](C)C[C@@H]1C(=O)[O-])n1cnc(C#N)n1	ZINC001594396421	999493797	/nfs/dbraw/zinc/49/37/97/999493797.db2.gz	XYXUAMQHJZIXOI-OPRDCNLKSA-N	-1	0	291.311	0.422	20	30		CCEDRM
N#Cc1cn(C2CN(C(=O)C34CC(C3)C4)C2)c(=O)[n-]c1=O	ZINC000600834507	362077036	/nfs/dbraw/zinc/07/70/36/362077036.db2.gz	WWBRWOPVVSIHEM-UHFFFAOYSA-N	-1	0	286.291	0.004	20	30		CCEDRM
CC[C@H](NS(=O)(=O)c1cncc(C#N)c1)C(=O)[O-]	ZINC000290424387	197704701	/nfs/dbraw/zinc/70/47/01/197704701.db2.gz	AMDNVCQMNAXVDR-VIFPVBQESA-N	-1	0	269.282	0.095	20	30		CCEDRM
C[C@@H]1CN(C(=O)N=c2[n-]ncs2)C[C@@H](C)N1CC#N	ZINC000601225766	362184726	/nfs/dbraw/zinc/18/47/26/362184726.db2.gz	OYJBIHRUGQPRNI-RKDXNWHRSA-N	-1	0	280.357	0.410	20	30		CCEDRM
CN=c1[n-]nc(CC(=O)N[C@@H]2CCOC[C@H]2C)s1	ZINC000330348866	529834392	/nfs/dbraw/zinc/83/43/92/529834392.db2.gz	JFELLHPIMVURKQ-HTQZYQBOSA-N	-1	0	270.358	0.926	20	30		CCEDRM
CC1([N-]S(=O)(=O)c2c(F)cc(C#N)cc2F)COC1	ZINC000601504833	362293464	/nfs/dbraw/zinc/29/34/64/362293464.db2.gz	UFNFQMGCIXORDK-UHFFFAOYSA-N	-1	0	288.275	0.904	20	30		CCEDRM
C[C@@H](C(=O)N=c1[nH][n-]cc1C#N)N1[C@H](C)CC[C@H]1C	ZINC000601641061	362336863	/nfs/dbraw/zinc/33/68/63/362336863.db2.gz	NBVAIVGRHLRAGH-BBBLOLIVSA-N	-1	0	261.329	0.903	20	30		CCEDRM
Cc1[n-][nH]c(=NC(=O)C2CN(CC(F)F)C2)c1C#N	ZINC000601680989	362352172	/nfs/dbraw/zinc/35/21/72/362352172.db2.gz	WEKKFRLXXCGHLS-UHFFFAOYSA-N	-1	0	269.255	0.147	20	30		CCEDRM
CCN(CC(C)C)C(=O)Cn1cc(C#N)c(=O)[n-]c1=O	ZINC000602056116	362468955	/nfs/dbraw/zinc/46/89/55/362468955.db2.gz	OGSRGZSSMBARSS-UHFFFAOYSA-N	-1	0	278.312	0.325	20	30		CCEDRM
CCN(C[C@@H](C)C#N)C(=O)CCCc1nnn[n-]1	ZINC000602068953	362471812	/nfs/dbraw/zinc/47/18/12/362471812.db2.gz	CDPMCOQVLWVFHY-VIFPVBQESA-N	-1	0	250.306	0.531	20	30		CCEDRM
CC1(C)CCCN1C(=O)CCn1cc(C#N)c(=O)[n-]c1=O	ZINC000602091724	362482491	/nfs/dbraw/zinc/48/24/91/362482491.db2.gz	NQSVSLIKTRDOLW-UHFFFAOYSA-N	-1	0	290.323	0.612	20	30		CCEDRM
N#Cc1cn(CC(=O)N(CC(F)F)C2CC2)c(=O)[n-]c1=O	ZINC000602097918	362485484	/nfs/dbraw/zinc/48/54/84/362485484.db2.gz	QKYOVZKBSPGMHA-UHFFFAOYSA-N	-1	0	298.249	0.077	20	30		CCEDRM
CCC1(CC)CN(C(=O)Cn2cc(C#N)c(=O)[n-]c2=O)C1	ZINC000602154573	362529733	/nfs/dbraw/zinc/52/97/33/362529733.db2.gz	DGVOXKNKQQLCPK-UHFFFAOYSA-N	-1	0	290.323	0.469	20	30		CCEDRM
N#Cc1cn(CC(=O)N2CCCC(F)(F)C2)c(=O)[n-]c1=O	ZINC000602171090	362541575	/nfs/dbraw/zinc/54/15/75/362541575.db2.gz	KRJCCSLKHXBZDF-UHFFFAOYSA-N	-1	0	298.249	0.078	20	30		CCEDRM
N#Cc1cccc2c1CN(C(=O)CCCc1nnn[n-]1)C2	ZINC000602177431	362544184	/nfs/dbraw/zinc/54/41/84/362544184.db2.gz	POHOBEDJJBTEIB-UHFFFAOYSA-N	-1	0	282.307	0.936	20	30		CCEDRM
Cc1c(C#N)c(=NC(=O)c2cnn(CC3CC3)c2)[n-]n1C	ZINC000602351097	362595306	/nfs/dbraw/zinc/59/53/06/362595306.db2.gz	DSRUNTMDMPYBCS-UHFFFAOYSA-N	-1	0	284.323	0.881	20	30		CCEDRM
C[C@H]1COCC[C@@H]1NC(=O)N=c1[n-]n(C)cc1C#N	ZINC000617891605	365818415	/nfs/dbraw/zinc/81/84/15/365818415.db2.gz	UEXIVXKYBHCRTM-WPRPVWTQSA-N	-1	0	263.301	0.260	20	30		CCEDRM
N#Cc1ccc(OC2CN(C(=O)NCCC(=O)[O-])C2)cc1	ZINC000263381522	137064913	/nfs/dbraw/zinc/06/49/13/137064913.db2.gz	OZESUFWGOHCFNE-UHFFFAOYSA-N	-1	0	289.291	0.806	20	30		CCEDRM
C[C@@](O)(CNc1ccc([N+](=O)[O-])cc1C#N)C(=O)[O-]	ZINC000263557195	137068713	/nfs/dbraw/zinc/06/87/13/137068713.db2.gz	PDDJMVRJWJMGME-LLVKDONJSA-N	-1	0	265.225	0.714	20	30		CCEDRM
CNc1ccc(C#N)cc1NC(=O)c1cnc([O-])n(C)c1=O	ZINC000355658688	290840831	/nfs/dbraw/zinc/84/08/31/290840831.db2.gz	RTFNSHNGRMGDSZ-UHFFFAOYSA-N	-1	0	299.290	0.652	20	30		CCEDRM
Cn1cc(C#N)c(=NC(=O)NCC[C@@H]2CCCOC2)[n-]1	ZINC000602886639	362866415	/nfs/dbraw/zinc/86/64/15/362866415.db2.gz	KWTGWWZWNYFMMA-JTQLQIEISA-N	-1	0	277.328	0.652	20	30		CCEDRM
CC[C@@H]1[C@@H](CO)CCN1C(=O)N=c1[n-]n(C)cc1C#N	ZINC000602880235	362860396	/nfs/dbraw/zinc/86/03/96/362860396.db2.gz	JSHROVSOKFMRPH-MWLCHTKSSA-N	-1	0	277.328	0.338	20	30		CCEDRM
Cn1cc(C#N)c(=NC(=O)N[C@@H]2CC23CCOCC3)[n-]1	ZINC000602879934	362860433	/nfs/dbraw/zinc/86/04/33/362860433.db2.gz	HMXVZRGXBDGBDH-SNVBAGLBSA-N	-1	0	275.312	0.404	20	30		CCEDRM
N#Cc1ccc(C(=O)N2CCO[C@H](C(=O)[O-])C2)cc1	ZINC000043700444	348312816	/nfs/dbraw/zinc/31/28/16/348312816.db2.gz	VCHMPIUTKVREDP-NSHDSACASA-N	-1	0	260.249	0.484	20	30		CCEDRM
N#Cc1ccc(NC(=O)N2CCO[C@H](C(=O)[O-])C2)cc1	ZINC000044471270	348320009	/nfs/dbraw/zinc/32/00/09/348320009.db2.gz	ZKIJCCPAOJHMEU-NSHDSACASA-N	-1	0	275.264	0.876	20	30		CCEDRM
N#CCCN1CCN(C(=O)N=c2nc3ccccn3[n-]2)CC1	ZINC000602933050	362893798	/nfs/dbraw/zinc/89/37/98/362893798.db2.gz	YKXSUIKNKRTWCT-UHFFFAOYSA-N	-1	0	299.338	0.214	20	30		CCEDRM
C[C@@H](C(=O)[O-])N(C)S(=O)(=O)Cc1ccc(C#N)cc1	ZINC000054053337	348539410	/nfs/dbraw/zinc/53/94/10/348539410.db2.gz	CGMNMDRLJXKYGI-VIFPVBQESA-N	-1	0	282.321	0.793	20	30		CCEDRM
C[C@@H](C#N)CNS(=O)(=O)c1cc(C(=O)[O-])n(C)c1	ZINC000054156490	348543993	/nfs/dbraw/zinc/54/39/93/348543993.db2.gz	RWHNZRMVMCVBPQ-ZETCQYMHSA-N	-1	0	271.298	0.161	20	30		CCEDRM
C[C@@H](C#N)CNS(=O)(=O)c1ccc(C(=O)[O-])cc1	ZINC000054156484	348544215	/nfs/dbraw/zinc/54/42/15/348544215.db2.gz	AFRFMLKVPBESRH-QMMMGPOBSA-N	-1	0	268.294	0.823	20	30		CCEDRM
N#Cc1ccc(CS(=O)(=O)N[C@@H](C(=O)[O-])C2CC2)cc1	ZINC000054504718	348558798	/nfs/dbraw/zinc/55/87/98/348558798.db2.gz	PFDCPKAOVCXLDV-GFCCVEGCSA-N	-1	0	294.332	0.841	20	30		CCEDRM
CNc1ccc(C(=O)Nc2nc(C#N)c(C#N)[n-]2)cn1	ZINC000351301971	137424999	/nfs/dbraw/zinc/42/49/99/137424999.db2.gz	LOLHGSKSPVRNFH-UHFFFAOYSA-N	-1	0	267.252	0.264	20	30		CCEDRM
Cc1ccc(C#N)cc1S(=O)(=O)[N-]c1nnn(C)n1	ZINC000127345575	350167925	/nfs/dbraw/zinc/16/79/25/350167925.db2.gz	SNEKBHAMCVBOQY-UHFFFAOYSA-N	-1	0	278.297	0.191	20	30		CCEDRM
N#Cc1cc(NC(=O)NCc2n[nH]c(=O)[n-]2)ccc1F	ZINC000129040023	350204421	/nfs/dbraw/zinc/20/44/21/350204421.db2.gz	MDPOHWCAANFDER-UHFFFAOYSA-N	-1	0	276.231	0.430	20	30		CCEDRM
N#Cc1nc(NC(=O)c2cncc(F)c2)[n-]c1C#N	ZINC000130259395	350232972	/nfs/dbraw/zinc/23/29/72/350232972.db2.gz	GICJBSATTQVGON-UHFFFAOYSA-N	-1	0	256.200	0.939	20	30		CCEDRM
C[C@H](NS(=O)(=O)c1ccccc1C#N)[C@H](C)C(=O)[O-]	ZINC000133253524	350330251	/nfs/dbraw/zinc/33/02/51/350330251.db2.gz	VMUPMZPWCNYGNU-IUCAKERBSA-N	-1	0	282.321	0.946	20	30		CCEDRM
C=CCN(C)S(=O)(=O)N1CCC(C(=O)[O-])CC1	ZINC000162188262	350738564	/nfs/dbraw/zinc/73/85/64/350738564.db2.gz	HAOCRSWYEDXJBJ-UHFFFAOYSA-N	-1	0	262.331	0.146	20	30		CCEDRM
N#Cc1ccc(S(=O)(=O)NCC2(C(=O)[O-])CCC2)cn1	ZINC000228698792	352080908	/nfs/dbraw/zinc/08/09/08/352080908.db2.gz	HKEWZLZPBBBYNL-UHFFFAOYSA-N	-1	0	295.320	0.486	20	30		CCEDRM
C=CCSCCNC(=O)N1CCO[C@@H](C(=O)[O-])C1	ZINC000231956234	352139247	/nfs/dbraw/zinc/13/92/47/352139247.db2.gz	GYKIYZZRFWMDKA-SECBINFHSA-N	-1	0	274.342	0.401	20	30		CCEDRM
Cn1cc(C#N)c(=NC(=O)c2cccc3c2OCO3)[n-]1	ZINC000354874367	137597663	/nfs/dbraw/zinc/59/76/63/137597663.db2.gz	FEDOZMOPIPBKHO-UHFFFAOYSA-N	-1	0	270.248	0.695	20	30		CCEDRM
C=CCNC(=O)C[N@H+]1C[C@@H]2CCC[C@@]2(C(=O)[O-])C1	ZINC000262106281	352578917	/nfs/dbraw/zinc/57/89/17/352578917.db2.gz	ICGYBBVNCYBTIJ-GXFFZTMASA-N	-1	0	252.314	0.475	20	30		CCEDRM
CC#CC[C@H](NS(=O)(=O)N(C)CCCC)C(=O)[O-]	ZINC000274997265	353178271	/nfs/dbraw/zinc/17/82/71/353178271.db2.gz	LLHKKMRXRJTZET-JTQLQIEISA-N	-1	0	276.358	0.419	20	30		CCEDRM
CCS(=O)(=O)N(CC(=O)[O-])Cc1cccc(C#N)c1	ZINC000275186900	353193182	/nfs/dbraw/zinc/19/31/82/353193182.db2.gz	XIWPMMJEYAQHFG-UHFFFAOYSA-N	-1	0	282.321	0.795	20	30		CCEDRM
CC(C)(O)CON=c1[n-]ccc(C#N)c1[N+](=O)[O-]	ZINC000280667351	353374690	/nfs/dbraw/zinc/37/46/90/353374690.db2.gz	CCOZWTOLGUJZKY-UHFFFAOYSA-N	-1	0	252.230	0.976	20	30		CCEDRM
COC(=O)[C@@H]1CC[C@@H]1C(=O)Nc1nc(C#N)c(C#N)[n-]1	ZINC000287746894	353664882	/nfs/dbraw/zinc/66/48/82/353664882.db2.gz	WUUBWPICMBKVDO-NKWVEPMBSA-N	-1	0	273.252	0.291	20	30		CCEDRM
C[C@@H](CCC(=O)[O-])NS(=O)(=O)c1cncc(C#N)c1	ZINC000290623352	353738444	/nfs/dbraw/zinc/73/84/44/353738444.db2.gz	KOIAWDIWPUIFEL-QMMMGPOBSA-N	-1	0	283.309	0.485	20	30		CCEDRM
COCCN=c1[n-]nc(Sc2ccnc(C#N)n2)s1	ZINC000557538432	291035535	/nfs/dbraw/zinc/03/55/35/291035535.db2.gz	BZFPIFQEAIVGSC-UHFFFAOYSA-N	-1	0	294.365	0.831	20	30		CCEDRM
Cn1cc(C#N)c(=NC(=O)N2CCC[C@@](C)(O)CC2)[n-]1	ZINC000619320244	366235569	/nfs/dbraw/zinc/23/55/69/366235569.db2.gz	YOMGHCKTZSIATM-CYBMUJFWSA-N	-1	0	277.328	0.482	20	30		CCEDRM
C[C@H](C(=O)[O-])N(C)S(=O)(=O)c1cccc(CC#N)c1	ZINC000619471179	366265001	/nfs/dbraw/zinc/26/50/01/366265001.db2.gz	GNCWGUHFFZPICL-SECBINFHSA-N	-1	0	282.321	0.846	20	30		CCEDRM
N#CCc1cccc(S(=O)(=O)N2CCC[C@H]2C(=O)[O-])c1	ZINC000619470861	366265085	/nfs/dbraw/zinc/26/50/85/366265085.db2.gz	CZEDAVWBBBUPBQ-LBPRGKRZSA-N	-1	0	294.332	0.990	20	30		CCEDRM
CC[C@H]1CN(C(=O)N=c2[n-]n(C)cc2C#N)CCCO1	ZINC000619626370	366302630	/nfs/dbraw/zinc/30/26/30/366302630.db2.gz	QNJOVVVMDGQZLD-NSHDSACASA-N	-1	0	277.328	0.746	20	30		CCEDRM
Cc1cc(C#N)ccc1S(=O)(=O)[N-]c1cn(C)nn1	ZINC000359465983	356826838	/nfs/dbraw/zinc/82/68/38/356826838.db2.gz	IEWWBVUGQHEIRC-UHFFFAOYSA-N	-1	0	277.309	0.796	20	30		CCEDRM
C[C@@H]1[C@@H](C(=O)Nc2nc(C#N)c(C#N)[n-]2)C1(F)F	ZINC000359826327	356904095	/nfs/dbraw/zinc/90/40/95/356904095.db2.gz	JRLRYVFGBJWDAN-FBCQKBJTSA-N	-1	0	251.196	0.993	20	30		CCEDRM
Cn1cc(C#N)c(=NC(=O)NCCCn2ccnc2)[n-]1	ZINC000610527933	363572578	/nfs/dbraw/zinc/57/25/78/363572578.db2.gz	AOFDWHMAWVBQDR-UHFFFAOYSA-N	-1	0	273.300	0.122	20	30		CCEDRM
C[C@H](CNC(=O)N=c1[n-]n(C)cc1C#N)Cn1cccn1	ZINC000610527961	363572862	/nfs/dbraw/zinc/57/28/62/363572862.db2.gz	CDIKPSVNAGIDAO-SNVBAGLBSA-N	-1	0	287.327	0.368	20	30		CCEDRM
Cn1cc(C#N)c(=NC(=O)NC[C@@H](O)C2CCCCC2)[n-]1	ZINC000610562348	363576427	/nfs/dbraw/zinc/57/64/27/363576427.db2.gz	PIRQXXUHJSLTLQ-GFCCVEGCSA-N	-1	0	291.355	0.776	20	30		CCEDRM
Cn1cc(C#N)cc1C(=O)N=c1[n-]ncn1-c1cccnc1	ZINC000377166926	357546316	/nfs/dbraw/zinc/54/63/16/357546316.db2.gz	CAFSSGKDLJPALS-UHFFFAOYSA-N	-1	0	293.290	0.547	20	30		CCEDRM
Cn1cc(C#N)c(=NC(=O)NCCCO[C@H]2CCOC2)[n-]1	ZINC000610698507	363600255	/nfs/dbraw/zinc/60/02/55/363600255.db2.gz	MNSBWCGCSAMEDE-NSHDSACASA-N	-1	0	293.327	0.031	20	30		CCEDRM
Cc1noc(C)c1S(=O)(=O)[N-]c1ncc(C#N)s1	ZINC000610725629	363604521	/nfs/dbraw/zinc/60/45/21/363604521.db2.gz	VXZWBEARGQMHQO-UHFFFAOYSA-N	-1	0	284.322	0.842	20	30		CCEDRM
C=C(C)CS(=O)(=O)N[C@H](C(=O)[O-])c1ccnn1C	ZINC000563147424	358556440	/nfs/dbraw/zinc/55/64/40/358556440.db2.gz	FOYDZBVGWLVKJI-VIFPVBQESA-N	-1	0	273.314	0.041	20	30		CCEDRM
CC#CC[C@H](NS(=O)(=O)CC(C)(C)C)C(=O)[O-]	ZINC000563226507	358557137	/nfs/dbraw/zinc/55/71/37/358557137.db2.gz	OEPFJCYKNYQXEJ-VIFPVBQESA-N	-1	0	261.343	0.819	20	30		CCEDRM
CC(C)[C@@H](CO)CNC(=O)N=c1[n-]n(C)cc1C#N	ZINC000588259652	359320090	/nfs/dbraw/zinc/32/00/90/359320090.db2.gz	BTRBHKAYEGIGAL-SNVBAGLBSA-N	-1	0	265.317	0.100	20	30		CCEDRM
CCc1nnc(CNC(=O)N=c2[n-]n(C)cc2C#N)s1	ZINC000589332487	359379217	/nfs/dbraw/zinc/37/92/17/359379217.db2.gz	HREREIJHYAHILN-UHFFFAOYSA-N	-1	0	291.340	0.449	20	30		CCEDRM
C=CC[C@H](CO)NC(=O)NC[C@@H](C(=O)[O-])C(C)C	ZINC000655893572	412683571	/nfs/dbraw/zinc/68/35/71/412683571.db2.gz	FZWFBPRLKPVLDS-NXEZZACHSA-N	-1	0	258.318	0.579	20	30		CCEDRM
CN=c1[n-]nc(Sc2ccnc(C#N)n2)s1	ZINC000590572871	359487680	/nfs/dbraw/zinc/48/76/80/359487680.db2.gz	QEHJVJAFJFBOJP-UHFFFAOYSA-N	-1	0	250.312	0.815	20	30		CCEDRM
CO[C@@H](CNC(=O)N=c1[n-]n(C)cc1C#N)CC(C)C	ZINC000591338122	359579397	/nfs/dbraw/zinc/57/93/97/359579397.db2.gz	JTMWHWRZGMSZHT-LLVKDONJSA-N	-1	0	279.344	0.896	20	30		CCEDRM
CCN(C[C@H](C)C#N)S(=O)(=O)NCC(C)(C)C(=O)[O-]	ZINC000591350123	359580426	/nfs/dbraw/zinc/58/04/26/359580426.db2.gz	UBFQQDRHDKWEEE-SECBINFHSA-N	-1	0	291.373	0.413	20	30		CCEDRM
CO[C@H](CS(=O)(=O)[N-]c1ccc(C#N)cn1)C(C)C	ZINC000592381691	359829275	/nfs/dbraw/zinc/82/92/75/359829275.db2.gz	YEWDDICTHOFSMU-LLVKDONJSA-N	-1	0	283.353	0.788	20	30		CCEDRM
N#CC1(C(=O)Nc2cnn(CC(=O)[O-])c2)CCCC1	ZINC000592467325	359847490	/nfs/dbraw/zinc/84/74/90/359847490.db2.gz	MPZCJSRBXNQVIL-UHFFFAOYSA-N	-1	0	262.269	0.990	20	30		CCEDRM
CCOCCO[C@@H](C)C(=O)N=c1[n-]n(C)c(C)c1C#N	ZINC000592647455	359907886	/nfs/dbraw/zinc/90/78/86/359907886.db2.gz	WQXZYAQGDBUZFA-JTQLQIEISA-N	-1	0	280.328	0.402	20	30		CCEDRM
COCCn1ccc(C(=O)N=c2[n-]n(C)c(C)c2C#N)n1	ZINC000592649128	359908926	/nfs/dbraw/zinc/90/89/26/359908926.db2.gz	IYVCYCIOYVEHOL-UHFFFAOYSA-N	-1	0	288.311	0.117	20	30		CCEDRM
N#CC[C@@]1(O)CCN(C(=O)c2cccc([O-])c2[N+](=O)[O-])C1	ZINC000592854613	359958776	/nfs/dbraw/zinc/95/87/76/359958776.db2.gz	YHMHCTDNMXHPII-CYBMUJFWSA-N	-1	0	291.263	0.791	20	30		CCEDRM
C[C@@H](Cc1ccc(C#N)cc1)C(=O)NCc1n[n-]c(=N)o1	ZINC000594343543	360278020	/nfs/dbraw/zinc/27/80/20/360278020.db2.gz	QUMSCUFKXWOTER-VIFPVBQESA-N	-1	0	285.307	0.849	20	30		CCEDRM
Cc1nc(=NC(=O)[C@H](N)CCCCC#N)s[n-]1	ZINC000594468511	360320428	/nfs/dbraw/zinc/32/04/28/360320428.db2.gz	NSCUFHSIZAYCBX-MRVPVSSYSA-N	-1	0	253.331	0.618	20	30		CCEDRM
CC[C@H](C#N)S(=O)(=O)[N-]c1cc(F)ccc1C(N)=O	ZINC000594699879	360362146	/nfs/dbraw/zinc/36/21/46/360362146.db2.gz	MSQZPUMYHKGBGL-MRVPVSSYSA-N	-1	0	285.300	0.968	20	30		CCEDRM
N#CC1(CNC(=O)C(=O)NCCC(=O)[O-])CCCCC1	ZINC000595275310	360473500	/nfs/dbraw/zinc/47/35/00/360473500.db2.gz	CLVUYLDPGSDGSA-UHFFFAOYSA-N	-1	0	281.312	0.168	20	30		CCEDRM
N#CC1(C(=O)NC[C@@H](CC(=O)[O-])C2CC2)CCOCC1	ZINC000595251086	360459090	/nfs/dbraw/zinc/45/90/90/360459090.db2.gz	ODXIQFKBDMYAMI-LLVKDONJSA-N	-1	0	280.324	0.924	20	30		CCEDRM
Cc1cc(C#N)nc(N2C[C@@H]3COC[C@]3(C(=O)[O-])C2)n1	ZINC000595970890	360743686	/nfs/dbraw/zinc/74/36/86/360743686.db2.gz	BINMMRFHGSQNGZ-NOZJJQNGSA-N	-1	0	274.280	0.194	20	30		CCEDRM
Cc1nc(N[C@@H]2C[C@@H](C(=O)[O-])C[C@H]2O)ccc1C#N	ZINC000595978145	360753686	/nfs/dbraw/zinc/75/36/86/360753686.db2.gz	KWPVWWYWLPMDQB-GMTAPVOTSA-N	-1	0	261.281	0.320	20	30		CCEDRM
Cc1ccc(N[C@@H]2C[C@@H](C(=O)[O-])C[C@H]2O)nc1C#N	ZINC000595979064	360754580	/nfs/dbraw/zinc/75/45/80/360754580.db2.gz	QDJJWWQGNNYLSQ-FXPVBKGRSA-N	-1	0	261.281	0.320	20	30		CCEDRM
Cc1nnc(N[C@@H]2C[C@@H](C(=O)[O-])C[C@@H]2O)c(C#N)c1C	ZINC000595980636	360755630	/nfs/dbraw/zinc/75/56/30/360755630.db2.gz	XDLDLCBRRPNFNI-IEBDPFPHSA-N	-1	0	276.296	0.601	20	30		CCEDRM
COC(=O)c1ccc(N2CCO[C@H](C(=O)[O-])C2)c(C#N)n1	ZINC000595965626	360740280	/nfs/dbraw/zinc/74/02/80/360740280.db2.gz	HIRQTJGDHUHUEE-NSHDSACASA-N	-1	0	291.263	0.030	20	30		CCEDRM
N#Cc1ccc(C=CC(=O)NCCc2nc(=O)o[n-]2)cc1	ZINC000493531355	238191968	/nfs/dbraw/zinc/19/19/68/238191968.db2.gz	UXGPVUKZWRALPY-AATRIKPKSA-N	-1	0	284.275	0.607	20	30		CCEDRM
C=C[C@@](C)(O)C(=O)Nc1c[nH]c(C(=O)OCC)n1	ZINC000597563094	361140527	/nfs/dbraw/zinc/14/05/27/361140527.db2.gz	PSVOYKARFMAGOP-LLVKDONJSA-N	-1	0	253.258	0.462	20	30		CCEDRM
CCN(CCC#N)C(=O)c1ccc([N-]S(C)(=O)=O)nc1	ZINC000599139750	361586824	/nfs/dbraw/zinc/58/68/24/361586824.db2.gz	SNRSSPMTHLKGMX-UHFFFAOYSA-N	-1	0	296.352	0.829	20	30		CCEDRM
CC#CCC[N-]S(=O)(=O)c1cc(C(=O)OC)no1	ZINC000599274009	361628543	/nfs/dbraw/zinc/62/85/43/361628543.db2.gz	LQPANSUKTLEFBW-UHFFFAOYSA-N	-1	0	272.282	0.153	20	30		CCEDRM
C=CCC[N-]S(=O)(=O)c1cc(C(=O)OC)no1	ZINC000599339405	361660391	/nfs/dbraw/zinc/66/03/91/361660391.db2.gz	NGCIUCKHZIBPBZ-UHFFFAOYSA-N	-1	0	260.271	0.316	20	30		CCEDRM
CC#CCCNC(=O)c1cc(S(N)(=O)=O)ccc1[O-]	ZINC000613320973	364213638	/nfs/dbraw/zinc/21/36/38/364213638.db2.gz	QVMQZCAZZFLQAJ-UHFFFAOYSA-N	-1	0	282.321	0.183	20	30		CCEDRM
CC(C)C[C@@H](CO)N(C)C(=O)N=c1[n-]n(C)cc1C#N	ZINC000614182394	364523323	/nfs/dbraw/zinc/52/33/23/364523323.db2.gz	OZRPWSALBMZDJQ-NSHDSACASA-N	-1	0	279.344	0.584	20	30		CCEDRM
N#CCCCCS(=O)(=O)N1CCC[C@H]1CC(=O)[O-]	ZINC000614381965	364588843	/nfs/dbraw/zinc/58/88/43/364588843.db2.gz	BFRKGJAPZOGQBQ-JTQLQIEISA-N	-1	0	274.342	0.949	20	30		CCEDRM
CC[C@]1(O)CCN(C(=O)N=c2[n-]n(C)cc2C#N)C1	ZINC000614688605	364698221	/nfs/dbraw/zinc/69/82/21/364698221.db2.gz	SBCZAGMTSSUNAS-LBPRGKRZSA-N	-1	0	263.301	0.092	20	30		CCEDRM
C=CCCS(=O)(=O)N(CCOCC)C[C@H](C)C(=O)[O-]	ZINC000275369592	193012036	/nfs/dbraw/zinc/01/20/36/193012036.db2.gz	WBEGMBPRTIGAGH-NSHDSACASA-N	-1	0	293.385	0.952	20	30		CCEDRM
C=C(C)[C@H]1OCC[C@H]1CNC(=O)N(C)CC(=O)[O-]	ZINC000621834780	366883760	/nfs/dbraw/zinc/88/37/60/366883760.db2.gz	WNFLSYABENZADO-GXSJLCMTSA-N	-1	0	256.302	0.694	20	30		CCEDRM
N#Cc1cccc(S(=O)(=O)[N-]N2CCCNC2=O)c1	ZINC000275830789	193141403	/nfs/dbraw/zinc/14/14/03/193141403.db2.gz	CHWFWSZDAOEKKH-UHFFFAOYSA-N	-1	0	280.309	0.167	20	30		CCEDRM
C=CCOCC(=O)N=c1nc(C2CCOCC2)[n-]s1	ZINC000629099810	369520431	/nfs/dbraw/zinc/52/04/31/369520431.db2.gz	BTZRNOPITIQVDD-UHFFFAOYSA-N	-1	0	283.353	0.995	20	30		CCEDRM
CCC(=O)C(=O)N=c1nc(C2CCOCC2)[n-]s1	ZINC000629104834	369521676	/nfs/dbraw/zinc/52/16/76/369521676.db2.gz	ZSLSLORVHJOEQX-QMMMGPOBSA-N	-1	0	269.326	0.339	20	30		CCEDRM
C=C(C)CN(CC)C(=O)C(=O)N1CC[C@H](C(=O)[O-])[C@H](C)C1	ZINC000629773676	369772536	/nfs/dbraw/zinc/77/25/36/369772536.db2.gz	QPBXBQCFBFQYKR-NEPJUHHUSA-N	-1	0	296.367	0.980	20	30		CCEDRM
C=CCCN(C)C(=O)C(=O)N1CC[C@H](C(=O)[O-])[C@@H](C)C1	ZINC000629773141	369772717	/nfs/dbraw/zinc/77/27/17/369772717.db2.gz	ASCSVWNCLFAWBK-QWRGUYRKSA-N	-1	0	282.340	0.590	20	30		CCEDRM
C=CCN(CC=C)C(=O)C(=O)N1CC[C@@H](C(=O)[O-])[C@H](C)C1	ZINC000629770943	369771843	/nfs/dbraw/zinc/77/18/43/369771843.db2.gz	CCJHQGRODQZBGO-VXGBXAGGSA-N	-1	0	294.351	0.756	20	30		CCEDRM
C=CCOC[C@H](NC(=O)c1cnc(C)[nH]1)C(=O)[O-]	ZINC000630186329	369996287	/nfs/dbraw/zinc/99/62/87/369996287.db2.gz	OFNZBXMEKKXVEY-VIFPVBQESA-N	-1	0	253.258	0.104	20	30		CCEDRM
C=CCOC[C@H](NC(=O)c1cn(CC)nc1C)C(=O)[O-]	ZINC000630186056	369996334	/nfs/dbraw/zinc/99/63/34/369996334.db2.gz	KIYNHIVUDKPOTQ-NSHDSACASA-N	-1	0	281.312	0.597	20	30		CCEDRM
C=C(C)C[C@@H](NC(=O)CCC(=O)NCCC)C(=O)[O-]	ZINC000630325810	370047493	/nfs/dbraw/zinc/04/74/93/370047493.db2.gz	MEGWZIMIFDNKHF-SNVBAGLBSA-N	-1	0	270.329	0.828	20	30		CCEDRM
C=C(C)C[C@@H](NC(=O)CS(=O)(=O)CCC)C(=O)[O-]	ZINC000630326404	370047660	/nfs/dbraw/zinc/04/76/60/370047660.db2.gz	PUAHXKBALWGVEC-SECBINFHSA-N	-1	0	277.342	0.347	20	30		CCEDRM
C=C(C)[C@@H]1OCC[C@H]1CNC(=O)Cn1cc(C(=O)[O-])cn1	ZINC000630303391	370037565	/nfs/dbraw/zinc/03/75/65/370037565.db2.gz	WKSLXGNMYMLMNR-GWCFXTLKSA-N	-1	0	293.323	0.679	20	30		CCEDRM
C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)Cn1cc(C(=O)[O-])nn1	ZINC000630302566	370037646	/nfs/dbraw/zinc/03/76/46/370037646.db2.gz	FHMQVCHMXKKBNK-SKDRFNHKSA-N	-1	0	294.311	0.074	20	30		CCEDRM
C=CCC[C@@H](NC(=O)c1ccnc2c1nnn2C)C(=O)[O-]	ZINC000630181341	369993976	/nfs/dbraw/zinc/99/39/76/369993976.db2.gz	HYQDXKLFBWQKIS-SECBINFHSA-N	-1	0	289.295	0.513	20	30		CCEDRM
C=CCOC[C@@H](NC(=O)c1ccnc(N(C)C)c1)C(=O)[O-]	ZINC000630185588	369995220	/nfs/dbraw/zinc/99/52/20/369995220.db2.gz	DMWLERIMMOTSMR-LLVKDONJSA-N	-1	0	293.323	0.533	20	30		CCEDRM
C=CCCCS(=O)(=O)NC[C@@]1(C(=O)[O-])CCCOC1	ZINC000630433676	370113527	/nfs/dbraw/zinc/11/35/27/370113527.db2.gz	VSILSQOETDSLPK-LBPRGKRZSA-N	-1	0	291.369	0.753	20	30		CCEDRM
C=C(C)C[C@@H](NS(=O)(=O)N1CCC[C@H](C)C1)C(=O)[O-]	ZINC000630438567	370117539	/nfs/dbraw/zinc/11/75/39/370117539.db2.gz	RRSMYLBONJTRNP-WDEREUQCSA-N	-1	0	290.385	0.972	20	30		CCEDRM
C=C(C)C[C@H](NC(=O)N[C@H]1CCCOC1)C(=O)[O-]	ZINC000630475078	370128749	/nfs/dbraw/zinc/12/87/49/370128749.db2.gz	DCCVEHIWHQIRFJ-UWVGGRQHSA-N	-1	0	256.302	0.884	20	30		CCEDRM
C=C(C)C[C@@H](NC(=O)NCCOCC(F)F)C(=O)[O-]	ZINC000630482213	370130153	/nfs/dbraw/zinc/13/01/53/370130153.db2.gz	XWYYLOGRWBXNAW-MRVPVSSYSA-N	-1	0	280.271	0.987	20	30		CCEDRM
C=CCOC[C@H](NC(=O)NC[C@H]1C[C@@H](OC)C1)C(=O)[O-]	ZINC000630492383	370133417	/nfs/dbraw/zinc/13/34/17/370133417.db2.gz	PSJVIKAEOROBBD-AXFHLTTASA-N	-1	0	286.328	0.366	20	30		CCEDRM
CC(=O)C1(NS(=O)(=O)c2cccnc2C#N)CC1	ZINC000632448394	371073183	/nfs/dbraw/zinc/07/31/83/371073183.db2.gz	CFSKEDQITLDBKT-UHFFFAOYSA-N	-1	0	265.294	0.353	20	30		CCEDRM
C=C(C)COCCNC(=O)[C@@H](C)O[C@H](C)C(=O)[O-]	ZINC000634910000	372290160	/nfs/dbraw/zinc/29/01/60/372290160.db2.gz	RUKNAEJXCYJVJE-NXEZZACHSA-N	-1	0	259.302	0.574	20	30		CCEDRM
C=CCOC[C@@H](NS(=O)(=O)CC1CCC1)C(=O)[O-]	ZINC000574450178	335020514	/nfs/dbraw/zinc/02/05/14/335020514.db2.gz	JXRNWZKKRJGUNW-SNVBAGLBSA-N	-1	0	277.342	0.362	20	30		CCEDRM
COCCCO[N-]C(=O)C(=O)Nc1ccc(F)cc1C#N	ZINC000288293934	197044811	/nfs/dbraw/zinc/04/48/11/197044811.db2.gz	RDSPREGSVKTBSR-UHFFFAOYSA-N	-1	0	295.270	0.720	20	30		CCEDRM
CC#CC[C@H](NS(=O)(=O)c1ccoc1)C(=O)[O-]	ZINC000284967463	388786694	/nfs/dbraw/zinc/78/66/94/388786694.db2.gz	FFELRTFUZYWYBE-VIFPVBQESA-N	-1	0	257.267	0.425	20	30		CCEDRM
C#CCO[N-]C(=O)CN1c2ccccc2O[C@H](C)C1=O	ZINC000291200459	388919323	/nfs/dbraw/zinc/91/93/23/388919323.db2.gz	HOPOBQDESGXWQN-SNVBAGLBSA-N	-1	0	274.276	0.482	20	30		CCEDRM
C[C@@H](CC(=O)[O-])NS(=O)(=O)c1ccc(C#N)c(F)c1	ZINC000291798821	388936842	/nfs/dbraw/zinc/93/68/42/388936842.db2.gz	AZIAKLMWSSOALL-ZETCQYMHSA-N	-1	0	286.284	0.839	20	30		CCEDRM
N#CCCN(Cc1n[nH]c(=O)[n-]1)Cc1ccccn1	ZINC000092619011	389030638	/nfs/dbraw/zinc/03/06/38/389030638.db2.gz	KDUOEENLJPXTLH-UHFFFAOYSA-N	-1	0	258.285	0.409	20	30		CCEDRM
CN1CCOC[C@@H]1C(=O)Nc1n[nH]c(C(F)(F)F)n1	ZINC000328994986	389149143	/nfs/dbraw/zinc/14/91/43/389149143.db2.gz	UEMGNVBCKIFNTN-RXMQYKEDSA-N	-1	0	279.222	0.742	20	30		CCEDRM
C=C(C)CN(C)C(=O)C(=O)N=c1ccc(OC(C)C)n[n-]1	ZINC000342205278	389200372	/nfs/dbraw/zinc/20/03/72/389200372.db2.gz	HEKAXNNOASBHSW-UHFFFAOYSA-N	-1	0	292.339	0.659	20	30		CCEDRM
C=CCCC1(C(=O)Nc2n[n-]c(S(C)(=O)=O)n2)CC1	ZINC000359375395	389172148	/nfs/dbraw/zinc/17/21/48/389172148.db2.gz	ZQWDDTRUYQEAJE-UHFFFAOYSA-N	-1	0	284.341	0.893	20	30		CCEDRM
C=CCN(CCOC)C(=O)N=c1ccc(OC)n[n-]1	ZINC000346683308	389334801	/nfs/dbraw/zinc/33/48/01/389334801.db2.gz	QUVIAVIUHKTFQX-UHFFFAOYSA-N	-1	0	266.301	0.573	20	30		CCEDRM
CC[C@H](NS(=O)(=O)c1ccc(C#N)nc1)C(=O)[O-]	ZINC000159547902	389368953	/nfs/dbraw/zinc/36/89/53/389368953.db2.gz	SJVWGYWXKGEYBQ-VIFPVBQESA-N	-1	0	269.282	0.095	20	30		CCEDRM
C=CC(C)(C)C(=O)[N-]S(=O)(=O)[C@H]1CCCOC1	ZINC000408502058	389371224	/nfs/dbraw/zinc/37/12/24/389371224.db2.gz	YVTJWCYASTUVHA-VIFPVBQESA-N	-1	0	261.343	0.824	20	30		CCEDRM
CCN(C[C@@H](C)C(=O)[O-])S(=O)(=O)c1ccc(C#N)nc1	ZINC000159691654	389371582	/nfs/dbraw/zinc/37/15/82/389371582.db2.gz	JAUPUGXMKKILAH-SECBINFHSA-N	-1	0	297.336	0.685	20	30		CCEDRM
CC[C@](C)(CNS(=O)(=O)c1ccc(C#N)nc1)C(=O)[O-]	ZINC000159672770	389371908	/nfs/dbraw/zinc/37/19/08/389371908.db2.gz	QPBOHITXNNVXNM-GFCCVEGCSA-N	-1	0	297.336	0.732	20	30		CCEDRM
CC[C@H](CS(=O)(=O)[N-]c1n[nH]c(C)c1C#N)OC	ZINC000421242301	389355956	/nfs/dbraw/zinc/35/59/56/389355956.db2.gz	YMSNWRVHNPXUOC-MRVPVSSYSA-N	-1	0	272.330	0.757	20	30		CCEDRM
N#Cc1nc(NC(=O)c2ccc3nc[nH]c3n2)[n-]c1C#N	ZINC000350006202	389476418	/nfs/dbraw/zinc/47/64/18/389476418.db2.gz	ILRIPTCWQIFYIT-UHFFFAOYSA-N	-1	0	278.235	0.677	20	30		CCEDRM
C=CCN(C1CC1)S(=O)(=O)N1CCC[C@H](C(=O)[O-])C1	ZINC000165219639	389439165	/nfs/dbraw/zinc/43/91/65/389439165.db2.gz	CORACYSBCNTFHR-JTQLQIEISA-N	-1	0	288.369	0.678	20	30		CCEDRM
N#CC1(CNC(=O)N=c2nc3n([n-]2)CCCC3)CCC1	ZINC000333942013	389450079	/nfs/dbraw/zinc/45/00/79/389450079.db2.gz	PPNLKDSDONRTIO-UHFFFAOYSA-N	-1	0	274.328	0.852	20	30		CCEDRM
N#Cc1cc(F)c(S(=O)(=O)[N-][C@@H]2CCOC2)c(F)c1	ZINC000178820409	389624098	/nfs/dbraw/zinc/62/40/98/389624098.db2.gz	YMHJWKJLPDZEMA-MRVPVSSYSA-N	-1	0	288.275	0.904	20	30		CCEDRM
COc1cccc(S([O-])=CC(=O)N[C@H](C)C#N)c1	ZINC000424620416	389626757	/nfs/dbraw/zinc/62/67/57/389626757.db2.gz	VACXZKNOTYORHJ-LZVRBXCZSA-N	-1	0	266.322	0.831	20	30		CCEDRM
Cc1cc(C)n2[n-]c(=NC(=O)NCCCCC#N)nc2n1	ZINC000351454009	389582876	/nfs/dbraw/zinc/58/28/76/389582876.db2.gz	QZWUUOJSXCOJIG-UHFFFAOYSA-N	-1	0	287.327	0.978	20	30		CCEDRM
C#CCC1(C(=O)NCCc2nc(=O)o[n-]2)CCCCC1	ZINC000280251981	389599327	/nfs/dbraw/zinc/59/93/27/389599327.db2.gz	ZKADMVPAGKYTSR-UHFFFAOYSA-N	-1	0	277.324	0.995	20	30		CCEDRM
C=CC[C@H](NS(=O)(=O)c1cncc(OC)c1)C(=O)[O-]	ZINC000280908480	389605377	/nfs/dbraw/zinc/60/53/77/389605377.db2.gz	AEHLDJLMXRYQLW-JTQLQIEISA-N	-1	0	286.309	0.398	20	30		CCEDRM
N#C[C@H]1CC[C@@H](NC(=O)N=c2[n-]nc3ccccn32)C1	ZINC000425648737	389654440	/nfs/dbraw/zinc/65/44/40/389654440.db2.gz	IXYPKOHODHIOOI-VHSXEESVSA-N	-1	0	270.296	0.965	20	30		CCEDRM
N#CCCCS(=O)(=O)N1C[C@@H]2CCC[C@@H]2[C@H]1C(=O)[O-]	ZINC000376273036	389731934	/nfs/dbraw/zinc/73/19/34/389731934.db2.gz	ARMZOSSAXTVPSL-DCAQKATOSA-N	-1	0	286.353	0.805	20	30		CCEDRM
C=C(C)COCCNC(=O)Cc1n[n-]c(=NC)s1	ZINC000353993382	389857663	/nfs/dbraw/zinc/85/76/63/389857663.db2.gz	RNVYRJVOCVXDEJ-UHFFFAOYSA-N	-1	0	270.358	0.253	20	30		CCEDRM
Cc1[n-][nH]c(=NC(=O)c2ccc3c(c2)OCO3)c1C#N	ZINC000431455681	389860061	/nfs/dbraw/zinc/86/00/61/389860061.db2.gz	FTBJMNPZJDAJJX-UHFFFAOYSA-N	-1	0	270.248	0.993	20	30		CCEDRM
Cc1[n-][nH]c(=NC(=O)c2cnn3cccnc23)c1C#N	ZINC000431707940	389864563	/nfs/dbraw/zinc/86/45/63/389864563.db2.gz	BGNIHCYUGLTWRX-UHFFFAOYSA-N	-1	0	267.252	0.307	20	30		CCEDRM
Cc1oc(C#N)cc1C(=O)NC1(c2nnn[n-]2)CC1	ZINC000435890386	389965213	/nfs/dbraw/zinc/96/52/13/389965213.db2.gz	SKJVFPKOOBJNAT-UHFFFAOYSA-N	-1	0	258.241	0.392	20	30		CCEDRM
CCN(CCC#N)C(=O)c1c[nH]c2nc(=O)[n-]c(=O)c-2c1	ZINC000439135123	390015363	/nfs/dbraw/zinc/01/53/63/390015363.db2.gz	PJWJDXOIYPFMFJ-UHFFFAOYSA-N	-1	0	287.279	0.812	20	30		CCEDRM
C=C[C@H](CCC(=O)[O-])NS(=O)(=O)[C@@H](C)COC	ZINC000578960744	390129624	/nfs/dbraw/zinc/12/96/24/390129624.db2.gz	LGIPPLTVILLAMO-DTWKUNHWSA-N	-1	0	265.331	0.360	20	30		CCEDRM
C=CCn1cc(C(=O)N2C[C@H](C(=O)[O-])CC[C@H]2C)nn1	ZINC000647743007	390156152	/nfs/dbraw/zinc/15/61/52/390156152.db2.gz	SZEVIYRCPAVTFA-NXEZZACHSA-N	-1	0	278.312	0.789	20	30		CCEDRM
C=CCn1cc(C(=O)N=c2nc([C@@H](C)OC)[n-]s2)nn1	ZINC000648383808	390365174	/nfs/dbraw/zinc/36/51/74/390365174.db2.gz	IOZFTSDBRRBVKS-SSDOTTSWSA-N	-1	0	294.340	0.697	20	30		CCEDRM
C=CCn1c(SCc2cnnn2C)n[n-]c1=N	ZINC000584320492	390335581	/nfs/dbraw/zinc/33/55/81/390335581.db2.gz	WTPGXGCIGHXAAS-UHFFFAOYSA-N	-1	0	251.319	0.297	20	30		CCEDRM
Cc1nnc([C@H](C)[N-]S(=O)(=O)c2ccc(C#N)o2)o1	ZINC000554586678	390434735	/nfs/dbraw/zinc/43/47/35/390434735.db2.gz	PWGPROBGLFBXJZ-LURJTMIESA-N	-1	0	282.281	0.882	20	30		CCEDRM
C=CCOC[C@@H](NC(=O)[C@H](CC)OCC)C(=O)[O-]	ZINC000519585199	390512795	/nfs/dbraw/zinc/51/27/95/390512795.db2.gz	QBESMDVQVSEBLU-ZJUUUORDSA-N	-1	0	259.302	0.574	20	30		CCEDRM
C=CCC[C@@H](CO)Nc1ccc(C(=O)[O-])c(OC)n1	ZINC000516472567	390482390	/nfs/dbraw/zinc/48/23/90/390482390.db2.gz	GIHZAOZEENOGLF-VIFPVBQESA-N	-1	0	266.297	0.949	20	30		CCEDRM
C=CCn1cc(C(=O)N(CCC(=O)[O-])C(C)C)nn1	ZINC000649244833	390535048	/nfs/dbraw/zinc/53/50/48/390535048.db2.gz	YFHYOVYQMJCPGM-UHFFFAOYSA-N	-1	0	266.301	0.789	20	30		CCEDRM
C=CCn1cc(C(=O)N[C@H](C)[C@@H](C)C(=O)[O-])nn1	ZINC000649249924	390537393	/nfs/dbraw/zinc/53/73/93/390537393.db2.gz	UXLYEDVTTBJTHQ-HTQZYQBOSA-N	-1	0	252.274	0.303	20	30		CCEDRM
C=CCn1cc(C(=O)N2CCC[C@@](C)(C(=O)[O-])C2)nn1	ZINC000649251583	390538408	/nfs/dbraw/zinc/53/84/08/390538408.db2.gz	GJNARBHSRRJEQD-CYBMUJFWSA-N	-1	0	278.312	0.791	20	30		CCEDRM
CC#CC[C@H](CO)NC(=O)N=c1[n-]nc(C(F)F)s1	ZINC000646243639	390648154	/nfs/dbraw/zinc/64/81/54/390648154.db2.gz	KRBPYQPTOFKOCX-ZCFIWIBFSA-N	-1	0	290.295	0.793	20	30		CCEDRM
CC#CC[C@@H](CO)NC(=O)N=c1[n-]nc2ccccn21	ZINC000646265660	390653472	/nfs/dbraw/zinc/65/34/72/390653472.db2.gz	GTSGUVMBZLZENJ-JTQLQIEISA-N	-1	0	273.296	0.047	20	30		CCEDRM
CC#CC[C@@H](NS(=O)(=O)c1ccc(C)o1)C(=O)[O-]	ZINC000568002353	390711880	/nfs/dbraw/zinc/71/18/80/390711880.db2.gz	ZVWHBLKKUFKLNS-SECBINFHSA-N	-1	0	271.294	0.733	20	30		CCEDRM
C=CCC[C@H](NC(=O)c1cn2c(n1)CCC2)C(=O)[O-]	ZINC000570096776	390717186	/nfs/dbraw/zinc/71/71/86/390717186.db2.gz	SDKMNLWKPMLFAL-VIFPVBQESA-N	-1	0	263.297	0.979	20	30		CCEDRM
C=C(C)CS(=O)(=O)N1CC[C@](OC)(C(=O)[O-])C1	ZINC000530154423	390875442	/nfs/dbraw/zinc/87/54/42/390875442.db2.gz	TUPSKRHWORDJHQ-SNVBAGLBSA-N	-1	0	263.315	0.068	20	30		CCEDRM
CN(C(=O)c1cnc([O-])n(C)c1=O)c1cccc(C#N)c1	ZINC000530961882	390877999	/nfs/dbraw/zinc/87/79/99/390877999.db2.gz	WNRFBNIFIHYHCP-UHFFFAOYSA-N	-1	0	284.275	0.634	20	30		CCEDRM
C=C[C@@H](CCC(=O)[O-])NS(=O)(=O)N(C)CCC	ZINC000577822893	390846661	/nfs/dbraw/zinc/84/66/61/390846661.db2.gz	DETMTTLOXUMUKN-VIFPVBQESA-N	-1	0	264.347	0.582	20	30		CCEDRM
C[C@@H](CC(=O)Nc1nc(C#N)c(C#N)[n-]1)n1cccn1	ZINC000425145830	533451814	/nfs/dbraw/zinc/45/18/14/533451814.db2.gz	OTDGSOBYFZFYAB-QMMMGPOBSA-N	-1	0	269.268	0.939	20	30		CCEDRM
COc1cc(C#N)ccc1OCC(=O)NCC(=O)[O-]	ZINC000261686567	131161983	/nfs/dbraw/zinc/16/19/83/131161983.db2.gz	MIDCCTVEBVPOLV-UHFFFAOYSA-N	-1	0	264.237	0.146	20	30		CCEDRM
C=CCCO[C@H](C)C(=O)N[C@](C)(COC)C(=O)[O-]	ZINC000262047893	131186525	/nfs/dbraw/zinc/18/65/25/131186525.db2.gz	FBURFJBRMUIZBW-BXKDBHETSA-N	-1	0	259.302	0.574	20	30		CCEDRM
C=CCCO[C@H](C)C(=O)N1CCOC[C@@H]1C(=O)[O-]	ZINC000262510466	131227271	/nfs/dbraw/zinc/22/72/71/131227271.db2.gz	OVBTZCJWAHPVRE-NXEZZACHSA-N	-1	0	257.286	0.280	20	30		CCEDRM
N#Cc1ccc(C2(C(=O)NC3(c4nnn[n-]4)CC3)CC2)cc1	ZINC000357075145	144057139	/nfs/dbraw/zinc/05/71/39/144057139.db2.gz	KBRRXQRWOLWEEU-UHFFFAOYSA-N	-1	0	294.318	0.908	20	30		CCEDRM
CC#CC[C@H](NS(=O)(=O)c1cccc(OC)c1)C(=O)[O-]	ZINC000650412399	397717444	/nfs/dbraw/zinc/71/74/44/397717444.db2.gz	CHNUGSJPMYNEQR-LBPRGKRZSA-N	-1	0	297.332	0.840	20	30		CCEDRM
C=C[C@](C)(CC)C(=O)N=c1ccc(C(=O)NC)n[n-]1	ZINC000650818478	397767295	/nfs/dbraw/zinc/76/72/95/397767295.db2.gz	MQHGRSJNVVGUQO-CYBMUJFWSA-N	-1	0	262.313	0.799	20	30		CCEDRM
C[C@H](O)[C@@H](NC(=O)Nc1ccc(C#N)cc1)C(=O)[O-]	ZINC000022170532	171367665	/nfs/dbraw/zinc/36/76/65/171367665.db2.gz	VINXXJGQAZPKGF-OIBJUYFYSA-N	-1	0	263.253	0.514	20	30		CCEDRM
C=CCOC[C@H](NC(=O)[C@H](C)OCC1CC1)C(=O)[O-]	ZINC000653658534	412331238	/nfs/dbraw/zinc/33/12/38/412331238.db2.gz	KOJPYFWZHFNMNX-ONGXEEELSA-N	-1	0	271.313	0.574	20	30		CCEDRM
C=CCOCCCC(=O)N1C[C@@H]2COC[C@]2(C(=O)[O-])C1	ZINC000659780292	413871439	/nfs/dbraw/zinc/87/14/39/413871439.db2.gz	RHCYAHQTCNZKDC-BXUZGUMPSA-N	-1	0	283.324	0.529	20	30		CCEDRM
C=C(C)CN(CC)C(=O)CN(C)Cc1n[n-]c(=O)o1	ZINC000660852485	414507525	/nfs/dbraw/zinc/50/75/25/414507525.db2.gz	VSMRPFDEVZTRTO-UHFFFAOYSA-N	-1	0	268.317	0.632	20	30		CCEDRM
N#Cc1cc(S(=O)(=O)NCCCC(=O)[O-])ccc1F	ZINC000071238234	176093924	/nfs/dbraw/zinc/09/39/24/176093924.db2.gz	BFDWYBOPPJXNNT-UHFFFAOYSA-N	-1	0	286.284	0.840	20	30		CCEDRM
C=CCOCCNC(=O)N1CCSC[C@H]1C(=O)[O-]	ZINC000306027771	545009522	/nfs/dbraw/zinc/00/95/22/545009522.db2.gz	NCWLEXIEVSAKTE-VIFPVBQESA-N	-1	0	274.342	0.401	20	30		CCEDRM
CC(C)[C@](C)(C#N)NC(=O)CSc1n[nH]c(=O)[n-]1	ZINC000187642953	260042870	/nfs/dbraw/zinc/04/28/70/260042870.db2.gz	MKKFAPJUKCMZEV-JTQLQIEISA-N	-1	0	269.330	0.657	20	30		CCEDRM
CCCC[C@H](ON=C(C)C)C(=O)NCCc1nc(=O)o[n-]1	ZINC000280142048	263059266	/nfs/dbraw/zinc/05/92/66/263059266.db2.gz	QGWUQWHPCGXQBI-JTQLQIEISA-N	-1	0	298.343	0.993	20	30		CCEDRM
C=C[C@H](C)NC(=O)C(=O)N=c1ccc(OC(C)C)n[n-]1	ZINC000342210187	263407578	/nfs/dbraw/zinc/40/75/78/263407578.db2.gz	OZSYEUQYUDWNRS-VIFPVBQESA-N	-1	0	278.312	0.315	20	30		CCEDRM
C[C@H]([C@H](C)N(C)C(=O)N=c1cn[n-]s1)S(C)(=O)=O	ZINC000331172750	264146517	/nfs/dbraw/zinc/14/65/17/264146517.db2.gz	OQSGMGLRPWWODK-NKWVEPMBSA-N	-1	0	292.386	0.837	20	30		CCEDRM
C=C[C@H](CO)NC(=O)c1ccc(NS(C)(=O)=O)cc1	ZINC000356850851	266190455	/nfs/dbraw/zinc/19/04/55/266190455.db2.gz	RRVNWAXDLCIGBI-SNVBAGLBSA-N	-1	0	284.337	0.335	20	30		CCEDRM
C[C@H]1CCCN1S(=O)(=O)[N-]c1nn(C)cc1C#N	ZINC000185268428	267214900	/nfs/dbraw/zinc/21/49/00/267214900.db2.gz	OSZXYJWADVSWII-QMMMGPOBSA-N	-1	0	269.330	0.433	20	30		CCEDRM
C[C@H]1[C@@H](C(=O)[O-])CCN1S(=O)(=O)CCCCC#N	ZINC000376758270	268014203	/nfs/dbraw/zinc/01/42/03/268014203.db2.gz	NDFLSEKUIRBXCV-UWVGGRQHSA-N	-1	0	274.342	0.805	20	30		CCEDRM
N#Cc1c(F)cccc1C(=O)NC1(c2nnn[n-]2)CC1	ZINC000519799387	268162420	/nfs/dbraw/zinc/16/24/20/268162420.db2.gz	XYIBEJZOVZPNAD-UHFFFAOYSA-N	-1	0	272.243	0.630	20	30		CCEDRM
COC[C@H](NC(=O)[C@H](C)Oc1ccccc1C#N)C(=O)[O-]	ZINC000158318556	293144161	/nfs/dbraw/zinc/14/41/61/293144161.db2.gz	FZYGCLMNJOFCMM-ONGXEEELSA-N	-1	0	292.291	0.541	20	30		CCEDRM
N#Cc1nccnc1N1CCC[C@H](c2n[n-]c(=O)o2)C1	ZINC000285509731	295003257	/nfs/dbraw/zinc/00/32/57/295003257.db2.gz	FVUZPDJFDPUVRO-QMMMGPOBSA-N	-1	0	272.268	0.409	20	30		CCEDRM
COc1ccc(=NC(=O)N2CCC(F)(C#N)CC2)[n-]n1	ZINC000351511177	295068867	/nfs/dbraw/zinc/06/88/67/295068867.db2.gz	KBMCWHCXLLYSID-UHFFFAOYSA-N	-1	0	279.275	0.767	20	30		CCEDRM
C[C@@H]1C[C@@H](C)[C@H](C(=O)Nc2nc(C#N)c(C#N)[n-]2)O1	ZINC000282259844	297243824	/nfs/dbraw/zinc/24/38/24/297243824.db2.gz	WMCXHXVBNWPPGB-BRDIYROLSA-N	-1	0	259.269	0.905	20	30		CCEDRM
O=C(N[C@H]1[C@@H]2COC[C@@H]21)c1c[nH]c2nc(=O)[n-]c(=O)c-2c1	ZINC000330014313	303515042	/nfs/dbraw/zinc/51/50/42/303515042.db2.gz	ASDZBXSGGOOKJH-BRPSZJMVSA-N	-1	0	288.263	0.385	20	30		CCEDRM
O=C(N=c1[n-]ncs1)N[C@@H]1CCO[C@@]2(CCOC2)C1	ZINC000329103163	303516504	/nfs/dbraw/zinc/51/65/04/303516504.db2.gz	FXYVGCFYUOJCAX-KCJUWKMLSA-N	-1	0	284.341	0.624	20	30		CCEDRM
CC(=O)N[C@@H](C(=O)N=c1[nH][n-]c(C)c1C#N)C(C)C	ZINC000570841018	327625792	/nfs/dbraw/zinc/62/57/92/327625792.db2.gz	YHOCDSMQOUBVAA-SNVBAGLBSA-N	-1	0	263.301	0.111	20	30		CCEDRM
C[C@H](CC#N)N(C)S(=O)(=O)N[C@@H](C(=O)[O-])C1CCC1	ZINC000563224473	327981431	/nfs/dbraw/zinc/98/14/31/327981431.db2.gz	AUKHYRIXNFMHLH-PSASIEDQSA-N	-1	0	289.357	0.308	20	30		CCEDRM
C=CCCCCCNC(=O)C(=O)N=c1ncn(C)[n-]1	ZINC000571295956	328100361	/nfs/dbraw/zinc/10/03/61/328100361.db2.gz	FHHMJZDWTPIWNL-UHFFFAOYSA-N	-1	0	265.317	0.038	20	30		CCEDRM
Cc1cccc(NC(=O)C(=O)NCCCC(=O)[O-])c1C#N	ZINC000582181046	328615392	/nfs/dbraw/zinc/61/53/92/328615392.db2.gz	BXERZCWTZPBJHE-UHFFFAOYSA-N	-1	0	289.291	0.786	20	30		CCEDRM
CC[C@](C)(C#N)C(=O)N(C)C[C@@H](C)c1nnn[n-]1	ZINC000285953147	328248304	/nfs/dbraw/zinc/24/83/04/328248304.db2.gz	COGILFMFSHSAFY-LDYMZIIASA-N	-1	0	250.306	0.701	20	30		CCEDRM
C[C@H](C#N)N(C)C(=O)C(C)(C)[N-]C(=O)C(F)(F)F	ZINC000297936255	328294981	/nfs/dbraw/zinc/29/49/81/328294981.db2.gz	SOOJXKMJCYKWEB-ZCFIWIBFSA-N	-1	0	265.235	0.814	20	30		CCEDRM
COC(=O)CCc1n[n-]c(=NC(=O)NC[C@@H](C)C#N)s1	ZINC000532057359	328440265	/nfs/dbraw/zinc/44/02/65/328440265.db2.gz	HIQVITSUTJARPM-ZETCQYMHSA-N	-1	0	297.340	0.347	20	30		CCEDRM
CCOC(=O)Cc1n[n-]c(=NC(=O)NC[C@@H](C)C#N)s1	ZINC000533561234	326860005	/nfs/dbraw/zinc/86/00/05/326860005.db2.gz	SVXODDKXGMPCJY-ZETCQYMHSA-N	-1	0	297.340	0.347	20	30		CCEDRM
CC[C@@H]1[C@@H](C(=O)[O-])CCN1S(=O)(=O)CC1(C#N)CC1	ZINC000558469011	327096260	/nfs/dbraw/zinc/09/62/60/327096260.db2.gz	MFGUWBXNSIOZJP-VHSXEESVSA-N	-1	0	286.353	0.805	20	30		CCEDRM
CC[C@H]1[C@H](C(=O)[O-])CCN1S(=O)(=O)CC1(C#N)CC1	ZINC000558469012	327096324	/nfs/dbraw/zinc/09/63/24/327096324.db2.gz	MFGUWBXNSIOZJP-ZJUUUORDSA-N	-1	0	286.353	0.805	20	30		CCEDRM
N#C[C@@H]1N(Cc2n[nH]c(=O)[n-]2)CCC[C@@]12CCCCO2	ZINC000569433969	327176449	/nfs/dbraw/zinc/17/64/49/327176449.db2.gz	WNKFDTCEADDPMH-GWCFXTLKSA-N	-1	0	277.328	0.938	20	30		CCEDRM
CC[C@@H](NS(=O)(=O)N(CC)C[C@H](C)C#N)C(=O)[O-]	ZINC000562797563	327515494	/nfs/dbraw/zinc/51/54/94/327515494.db2.gz	AISFWFXEDZTLRX-RKDXNWHRSA-N	-1	0	277.346	0.166	20	30		CCEDRM
C=CCOC[C@@H](NC(=O)N[C@H](C)Cn1cccn1)C(=O)[O-]	ZINC000569771624	327546187	/nfs/dbraw/zinc/54/61/87/327546187.db2.gz	NMKPAJCVUNVAQZ-GHMZBOCLSA-N	-1	0	296.327	0.227	20	30		CCEDRM
C=CC[C@@H](CC)NC(=O)N[C@]1(C(=O)[O-])CCOC1	ZINC000393763358	329089423	/nfs/dbraw/zinc/08/94/23/329089423.db2.gz	PTVBKZAQXHZIIB-BXKDBHETSA-N	-1	0	256.302	0.884	20	30		CCEDRM
Cn1cc(C#N)c([N-]S(=O)(=O)CCC(C)(C)C#N)n1	ZINC000583815391	329482441	/nfs/dbraw/zinc/48/24/41/329482441.db2.gz	JLVWPADDOVVYTF-UHFFFAOYSA-N	-1	0	281.341	0.973	20	30		CCEDRM
CCOC(=O)Cn1cnc(=NC(=O)N[C@@H](CC)CC#N)[n-]1	ZINC000425700667	329648297	/nfs/dbraw/zinc/64/82/97/329648297.db2.gz	KEPKENUPSOWWJP-VIFPVBQESA-N	-1	0	294.315	0.077	20	30		CCEDRM
CC(C)C[C@@H](NS(=O)(=O)CCCC#N)C(=O)[O-]	ZINC000261722192	329979803	/nfs/dbraw/zinc/97/98/03/329979803.db2.gz	RFFJOPXZZXBCOV-SECBINFHSA-N	-1	0	262.331	0.709	20	30		CCEDRM
C=CCOc1cccnc1C(=O)N[C@H](C)C(=O)[O-]	ZINC000262839937	330035173	/nfs/dbraw/zinc/03/51/73/330035173.db2.gz	ZJZIPUKNSXZEGQ-MRVPVSSYSA-N	-1	0	250.254	0.849	20	30		CCEDRM
C=CCOC[C@@H](NC(=O)COc1ccccc1F)C(=O)[O-]	ZINC000262993050	330038202	/nfs/dbraw/zinc/03/82/02/330038202.db2.gz	LOFBEBAJLYICTO-LLVKDONJSA-N	-1	0	297.282	0.977	20	30		CCEDRM
C[C@@H]1CN(S(=O)(=O)CC(C)(C)CC#N)C[C@H]1C(=O)[O-]	ZINC000263145418	330045711	/nfs/dbraw/zinc/04/57/11/330045711.db2.gz	OUIDMDCHWUBRHW-NXEZZACHSA-N	-1	0	288.369	0.909	20	30		CCEDRM
C=CCOC[C@@H](NC(=O)C1(COCC)CC1)C(=O)[O-]	ZINC000263186400	330048151	/nfs/dbraw/zinc/04/81/51/330048151.db2.gz	ZZTWAIJGJDFOTK-SNVBAGLBSA-N	-1	0	271.313	0.575	20	30		CCEDRM
C[C@H]1C[C@H](C(=O)[O-])CN(S(=O)(=O)CCC#N)C1	ZINC000263207617	330049262	/nfs/dbraw/zinc/04/92/62/330049262.db2.gz	NCNKZYGFWWMVHC-IUCAKERBSA-N	-1	0	260.315	0.272	20	30		CCEDRM
C[C@@H](CC#N)N(C)S(=O)(=O)N1C[C@@H](C)[C@H](C(=O)[O-])C1	ZINC000263212930	330049516	/nfs/dbraw/zinc/04/95/16/330049516.db2.gz	ZIQQQYXTTWQBHZ-KXUCPTDWSA-N	-1	0	289.357	0.118	20	30		CCEDRM
C#CCNC(=O)c1ccc(NCCCC(=O)[O-])nc1	ZINC000263378925	330053375	/nfs/dbraw/zinc/05/33/75/330053375.db2.gz	CANCUGQFINYTGY-UHFFFAOYSA-N	-1	0	261.281	0.721	20	30		CCEDRM
CC(C)N(CC(=O)[O-])S(=O)(=O)N(C)[C@@H](C)CC#N	ZINC000263501973	330058132	/nfs/dbraw/zinc/05/81/32/330058132.db2.gz	UCHPIKMEQXRZRT-VIFPVBQESA-N	-1	0	277.346	0.260	20	30		CCEDRM
C=CCN(CC=C)C(=O)C(=O)N1CC[C@](C)(C(=O)[O-])C1	ZINC000422702395	330151178	/nfs/dbraw/zinc/15/11/78/330151178.db2.gz	DZVDMWXOJZZAHU-AWEZNQCLSA-N	-1	0	280.324	0.510	20	30		CCEDRM
C=CC1CCN(C(=O)C(=O)N2CC[C@](C)(C(=O)[O-])C2)CC1	ZINC000422824829	330156487	/nfs/dbraw/zinc/15/64/87/330156487.db2.gz	OOXXTPKAEMLJHP-HNNXBMFYSA-N	-1	0	294.351	0.734	20	30		CCEDRM
C=CCCCN(C)C(=O)C(=O)N1CC[C@@](C)(C(=O)[O-])C1	ZINC000422839327	330157303	/nfs/dbraw/zinc/15/73/03/330157303.db2.gz	ZVYSWGAQEUXFOR-CQSZACIVSA-N	-1	0	282.340	0.734	20	30		CCEDRM
CC#CCN(C)C(=O)C(=O)N1C[C@@H](C)C[C@H](C(=O)[O-])C1	ZINC000422947171	330161918	/nfs/dbraw/zinc/16/19/18/330161918.db2.gz	PYGAHAFPDBFEPY-QWRGUYRKSA-N	-1	0	280.324	0.037	20	30		CCEDRM
C[C@H](C#N)CN(C)S(=O)(=O)NCCC(C)(C)C(=O)[O-]	ZINC000424391307	330349961	/nfs/dbraw/zinc/34/99/61/330349961.db2.gz	MOVSLRXJNUGCAY-SECBINFHSA-N	-1	0	291.373	0.413	20	30		CCEDRM
C=C[C@@H](C)NC(=O)N=c1ccc(-c2cnn(C)c2)n[n-]1	ZINC000433682898	330630032	/nfs/dbraw/zinc/63/00/32/330630032.db2.gz	ARAQBAPXCMVVAC-SECBINFHSA-N	-1	0	272.312	0.995	20	30		CCEDRM
C=CCN=c1[n-]nc(S(=O)(=O)C[C@H](O)CCC)s1	ZINC000453012495	331083516	/nfs/dbraw/zinc/08/35/16/331083516.db2.gz	DTCVCRVUSPSDEL-MRVPVSSYSA-N	-1	0	291.398	0.493	20	30		CCEDRM
C#CCN(CC#CC)C(=O)N=c1nc2nc(C)cc(C)n2[n-]1	ZINC000490690474	332104767	/nfs/dbraw/zinc/10/47/67/332104767.db2.gz	RUJNSFVJXTVPLO-UHFFFAOYSA-N	-1	0	296.334	0.653	20	30		CCEDRM
C#C[C@H](C)N(C)C(=O)C(=O)N=c1[n-]nc(C(C)(C)C)s1	ZINC000491419338	332208329	/nfs/dbraw/zinc/20/83/29/332208329.db2.gz	ULVNHYYSJTUNBH-QMMMGPOBSA-N	-1	0	294.380	0.676	20	30		CCEDRM
CC(C)(C#N)CS(=O)(=O)[N-]C(=O)/C=C\c1ccncn1	ZINC000492732009	332411200	/nfs/dbraw/zinc/41/12/00/332411200.db2.gz	DSLBESKRWZTNSL-ARJAWSKDSA-N	-1	0	294.336	0.486	20	30		CCEDRM
N#CCCS(=O)(=O)[N-]C(=O)/C=C\c1cncc(F)c1	ZINC000493079546	332425633	/nfs/dbraw/zinc/42/56/33/332425633.db2.gz	DFFHUJFLTMUKSB-IHWYPQMZSA-N	-1	0	283.284	0.594	20	30		CCEDRM
C=CCS(=O)(=O)[N-]C(=O)/C=C\c1ccn(C)c1	ZINC000493532481	332443895	/nfs/dbraw/zinc/44/38/95/332443895.db2.gz	VATCAWPNJNWUGR-PLNGDYQASA-N	-1	0	254.311	0.670	20	30		CCEDRM
N#CC1(CS(=O)(=O)N[C@H](C(=O)[O-])C2CC2)CC1	ZINC000547899435	334128930	/nfs/dbraw/zinc/12/89/30/334128930.db2.gz	WFLOFHBKRWOKMS-QMMMGPOBSA-N	-1	0	258.299	0.073	20	30		CCEDRM
C[C@@H](CCCCC(=O)[O-])NS(=O)(=O)N(C)CCC#N	ZINC000547901276	334128945	/nfs/dbraw/zinc/12/89/45/334128945.db2.gz	SQVPEEONBXJHJT-JTQLQIEISA-N	-1	0	291.373	0.700	20	30		CCEDRM
C=CCCS(=O)(=O)N[C@H](Cn1cc(C)cn1)C(=O)[O-]	ZINC000548537823	334162354	/nfs/dbraw/zinc/16/23/54/334162354.db2.gz	GRCXUUVQBLZKEN-SNVBAGLBSA-N	-1	0	287.341	0.140	20	30		CCEDRM
C=CCNC(=O)c1c(C)[n-]n(-c2nc(C)cc(C)n2)c1=O	ZINC000155607748	334725112	/nfs/dbraw/zinc/72/51/12/334725112.db2.gz	OYCIVUZVSYWHLW-LLVKDONJSA-N	-1	0	287.323	0.734	20	30		CCEDRM
CCN(C[C@H](C)C(=O)[O-])S(=O)(=O)N(C)[C@H](C)CC#N	ZINC000568002267	334783328	/nfs/dbraw/zinc/78/33/28/334783328.db2.gz	WUOGGPVNDMABAP-VHSXEESVSA-N	-1	0	291.373	0.508	20	30		CCEDRM
C[C@H]1CCCC[C@H]1NC(=O)Cn1c(=O)[n-]cc(C#N)c1=O	ZINC000577396587	335348265	/nfs/dbraw/zinc/34/82/65/335348265.db2.gz	ZSDWCGDQUGWWCO-GXSJLCMTSA-N	-1	0	290.323	0.103	20	30		CCEDRM
C=C(C)CS(=O)(=O)N1[C@H](C(=O)[O-])CS[C@H]1C	ZINC000577758259	335398278	/nfs/dbraw/zinc/39/82/78/335398278.db2.gz	XRBWKNBJJWHOBC-YUMQZZPRSA-N	-1	0	265.356	0.740	20	30		CCEDRM
C[C@@H](C#N)CN(C)S(=O)(=O)N1CC[C@@H](CC(=O)[O-])C1	ZINC000578775849	335674043	/nfs/dbraw/zinc/67/40/43/335674043.db2.gz	MOLGSYYQPSNESL-UWVGGRQHSA-N	-1	0	289.357	0.119	20	30		CCEDRM
C[C@H](C(=O)[O-])N(C)S(=O)(=O)Cc1ccc(CC#N)cc1	ZINC000581132093	336013013	/nfs/dbraw/zinc/01/30/13/336013013.db2.gz	AODMRIHMWDBKCB-SNVBAGLBSA-N	-1	0	296.348	0.987	20	30		CCEDRM
C=C[C@@H]1OCC[C@H]1CNC(=O)N=c1nc2n([n-]1)CCCC2	ZINC000581306656	336044606	/nfs/dbraw/zinc/04/46/06/336044606.db2.gz	OLJZELDTIITTTE-QWRGUYRKSA-N	-1	0	291.355	0.749	20	30		CCEDRM
C=CCOCC(=O)Nc1nnc([N-]S(C)(=O)=O)s1	ZINC000354754216	526728042	/nfs/dbraw/zinc/72/80/42/526728042.db2.gz	IXHJYNNJQWWXSY-UHFFFAOYSA-N	-1	0	292.342	0.051	20	30		CCEDRM
Cn1cc(C#N)c(=NC(=O)c2cccc3c2oc(=O)n3C)[n-]1	ZINC000339958211	527147720	/nfs/dbraw/zinc/14/77/20/527147720.db2.gz	YNCKBUJBGHSPEY-UHFFFAOYSA-N	-1	0	297.274	0.411	20	30		CCEDRM
C=C[C@@H](CO)NC(=O)N=c1nc([C@H](C)OC)[n-]s1	ZINC000350638320	527431220	/nfs/dbraw/zinc/43/12/20/527431220.db2.gz	LUQSLCYGNUNRGV-BQBZGAKWSA-N	-1	0	272.330	0.336	20	30		CCEDRM
C=C(C)[C@@H](CO)Sc1n[n-]c2nc(=O)c(C)nn12	ZINC000677132668	545358075	/nfs/dbraw/zinc/35/80/75/545358075.db2.gz	MCPUATGMXHAKNN-SSDOTTSWSA-N	-1	0	267.314	0.150	20	30		CCEDRM
O=C([O-])[C@H]1CC[C@H](C(=O)NCC#Cc2ccccc2)O1	ZINC000682521212	545481997	/nfs/dbraw/zinc/48/19/97/545481997.db2.gz	ALBSXNFHJDNBHC-CHWSQXEVSA-N	-1	0	273.288	0.787	20	30		CCEDRM
N#Cc1c(F)cccc1C(=O)[N-]S(=O)(=O)[C@@H]1CCOC1	ZINC000778643543	581103492	/nfs/dbraw/zinc/10/34/92/581103492.db2.gz	GOHKLTSQKDSQQR-MRVPVSSYSA-N	-1	0	298.295	0.546	20	30		CCEDRM
N#CCc1ccccc1CC(=O)OCc1n[nH]c(=O)[n-]1	ZINC000777168264	581109045	/nfs/dbraw/zinc/10/90/45/581109045.db2.gz	YIOABTMNEMQOEP-UHFFFAOYSA-N	-1	0	272.264	0.862	20	30		CCEDRM
Cc1n[n-]c(=S)n(N=Cc2ccc(F)nc2C)c1=O	ZINC000782132447	581140267	/nfs/dbraw/zinc/14/02/67/581140267.db2.gz	CNJMKDDJJCWMSP-UHFFFAOYSA-N	-1	0	279.300	0.960	20	30		CCEDRM
C=CCS(=O)(=O)[N-]C(=O)c1cncc(CC)c1	ZINC000789458236	581149518	/nfs/dbraw/zinc/14/95/18/581149518.db2.gz	FBNYPDXTJIRMSY-UHFFFAOYSA-N	-1	0	254.311	0.890	20	30		CCEDRM
N#C[C@H]1CN(C(=O)N[C@H]2CCCN(C(=O)[O-])C2)CCO1	ZINC000739070051	581166191	/nfs/dbraw/zinc/16/61/91/581166191.db2.gz	WXFGOWTXKKIHRY-UWVGGRQHSA-N	-1	0	282.300	0.063	20	30		CCEDRM
N#CCCn1ccc(NC(=O)CCCNC(=O)[O-])n1	ZINC000739076240	581171013	/nfs/dbraw/zinc/17/10/13/581171013.db2.gz	UHNQRMKNDXTLTB-UHFFFAOYSA-N	-1	0	265.273	0.783	20	30		CCEDRM
N#C[C@@H](C(=O)CCNC(=O)[O-])c1nnc2n1CCCCC2	ZINC000739076005	581171022	/nfs/dbraw/zinc/17/10/22/581171022.db2.gz	XHHMGJYWJYOSKX-VIFPVBQESA-N	-1	0	291.311	0.838	20	30		CCEDRM
Cn1nnc(C/N=C/c2cc([N+](=O)[O-])ccc2[O-])n1	ZINC000775741576	581179453	/nfs/dbraw/zinc/17/94/53/581179453.db2.gz	SVVZERGKEAXNHU-VZUCSPMQSA-N	-1	0	262.229	0.443	20	30		CCEDRM
CC[C@H](OC)C(=O)[N-]S(=O)(=O)CC1(C#N)CCCC1	ZINC000779321765	581180575	/nfs/dbraw/zinc/18/05/75/581180575.db2.gz	RWJABDLRMIBVAR-JTQLQIEISA-N	-1	0	288.369	0.941	20	30		CCEDRM
Nc1nc(N)nc(CON=Cc2ccc(C(=O)[O-])cc2)n1	ZINC000739204271	581202918	/nfs/dbraw/zinc/20/29/18/581202918.db2.gz	WRWSURRGGSWZQG-UHFFFAOYSA-N	-1	0	288.267	0.285	20	30		CCEDRM
C=CCCO[C@H](C)C(=O)[N-]S(=O)(=O)C[C@H]1CCCO1	ZINC000781515070	581271250	/nfs/dbraw/zinc/27/12/50/581271250.db2.gz	RARLTZQNSJUEJN-GHMZBOCLSA-N	-1	0	291.369	0.593	20	30		CCEDRM
CC[C@H](NN=C1CCCc2nn(C)cc21)C(=O)[O-]	ZINC000793058357	581282603	/nfs/dbraw/zinc/28/26/03/581282603.db2.gz	TYDSZONRQBLUPZ-VIFPVBQESA-N	-1	0	250.302	0.913	20	30		CCEDRM
CC[C@@H](NN=Cc1c(CO)cnc(C)c1O)C(=O)[O-]	ZINC000793057181	581282616	/nfs/dbraw/zinc/28/26/16/581282616.db2.gz	MEGGWUZUJIXHIZ-SNVBAGLBSA-N	-1	0	267.285	0.375	20	30		CCEDRM
CC[C@@H](NN=Cc1cc(C)c(C(=O)OC)[nH]1)C(=O)[O-]	ZINC000793070595	581283113	/nfs/dbraw/zinc/28/31/13/581283113.db2.gz	CTMBLNMGWSDAHT-SECBINFHSA-N	-1	0	267.285	0.896	20	30		CCEDRM
CC[C@@H](NN=C1C(=O)Nc2c1cccc2F)C(=O)[O-]	ZINC000793072668	581283614	/nfs/dbraw/zinc/28/36/14/581283614.db2.gz	URKGOTWCJAKJQO-MRVPVSSYSA-N	-1	0	265.244	0.935	20	30		CCEDRM
CC[C@@H](NN=Cc1cnc(N2CCOCC2)s1)C(=O)[O-]	ZINC000793078057	581283725	/nfs/dbraw/zinc/28/37/25/581283725.db2.gz	LDVLLBLKRFDNQF-SNVBAGLBSA-N	-1	0	298.368	0.766	20	30		CCEDRM
C[C@@H]1C[C@H](C)[C@H](C(=O)[N-]S(=O)(=O)CC2(C#N)CC2)O1	ZINC000793195292	581287767	/nfs/dbraw/zinc/28/77/67/581287767.db2.gz	IIKIDDKYFHGPPN-IVZWLZJFSA-N	-1	0	286.353	0.550	20	30		CCEDRM
Cc1oc(C#N)cc1C(=O)[N-]S(=O)(=O)CC1(C#N)CC1	ZINC000793194977	581287775	/nfs/dbraw/zinc/28/77/75/581287775.db2.gz	CKAGKZCTJXEFEV-UHFFFAOYSA-N	-1	0	293.304	0.823	20	30		CCEDRM
CCOc1nc(C(=O)[N-]S(=O)(=O)CC2(C#N)CC2)co1	ZINC000793195236	581287811	/nfs/dbraw/zinc/28/78/11/581287811.db2.gz	IKUFLVURZZSSGC-UHFFFAOYSA-N	-1	0	299.308	0.437	20	30		CCEDRM
COCCC[C@@H](C)C(=O)[N-]S(=O)(=O)CC1(C#N)CC1	ZINC000793193654	581287876	/nfs/dbraw/zinc/28/78/76/581287876.db2.gz	AJIPJIFAPKODGT-SNVBAGLBSA-N	-1	0	288.369	0.799	20	30		CCEDRM
Cc1ccoc1C(=O)[N-]S(=O)(=O)CC1(C#N)CC1	ZINC000793212979	581288458	/nfs/dbraw/zinc/28/84/58/581288458.db2.gz	XLZDGIQXZZIFCT-UHFFFAOYSA-N	-1	0	268.294	0.951	20	30		CCEDRM
COCCN(CCC#N)C(=S)NCCCC(=O)[O-]	ZINC000737779903	581330014	/nfs/dbraw/zinc/33/00/14/581330014.db2.gz	XUWOEGDNEOGVAM-UHFFFAOYSA-N	-1	0	273.358	0.588	20	30		CCEDRM
C#CCN(CC)C(=O)CN(C[C@@H]1CCCO1)C(=O)[O-]	ZINC000738461222	581334056	/nfs/dbraw/zinc/33/40/56/581334056.db2.gz	PFCNUYFOHZLVLQ-NSHDSACASA-N	-1	0	268.313	0.627	20	30		CCEDRM
COC[C@H](C)S(=O)(=O)[N-]C(=O)c1ccc(C#N)s1	ZINC000750708471	581340654	/nfs/dbraw/zinc/34/06/54/581340654.db2.gz	NZQDXRZCNULZQO-ZETCQYMHSA-N	-1	0	288.350	0.714	20	30		CCEDRM
C#Cc1ccc(C(=O)N2CC[C@H](NC(=O)[O-])C2)cn1	ZINC000738469865	581343133	/nfs/dbraw/zinc/34/31/33/581343133.db2.gz	INWPQAJFFQOKQD-NSHDSACASA-N	-1	0	259.265	0.545	20	30		CCEDRM
N#Cc1cc(C(=O)NN2CC(=O)NC2=O)ccc1Cl	ZINC000783568931	581350096	/nfs/dbraw/zinc/35/00/96/581350096.db2.gz	JNJAKLMBKKHCAU-UHFFFAOYSA-N	-1	0	278.655	0.408	20	30		CCEDRM
C=CC[C@H](C)NC(=O)NCCN1CCN(C(=O)[O-])CC1	ZINC000738488664	581357997	/nfs/dbraw/zinc/35/79/97/581357997.db2.gz	LMXLBHYLICQXFS-NSHDSACASA-N	-1	0	284.360	0.546	20	30		CCEDRM
C=CCOCC(=O)N1C[C@H](C)N(C(=O)[O-])[C@@H](C)C1	ZINC000738491883	581360870	/nfs/dbraw/zinc/36/08/70/581360870.db2.gz	PGPYDHURWUMACB-UWVGGRQHSA-N	-1	0	256.302	0.788	20	30		CCEDRM
C=CCCOCC(=O)N(C)CCN1CCN(C(=O)[O-])CC1	ZINC000738493054	581360919	/nfs/dbraw/zinc/36/09/19/581360919.db2.gz	JFLAATNXPNYSOT-UHFFFAOYSA-N	-1	0	299.371	0.333	20	30		CCEDRM
COC(=O)c1ccc(C([O-])=C(C#N)C(=O)NC2CC2)[nH]1	ZINC000796743058	581361486	/nfs/dbraw/zinc/36/14/86/581361486.db2.gz	FHAQBYHMDJDVIQ-QMMMGPOBSA-N	-1	0	275.264	0.402	20	30		CCEDRM
C=CCCO[C@H](C)C(=O)N[C@H]1CCN(C(=O)[O-])C1	ZINC000738493818	581361664	/nfs/dbraw/zinc/36/16/64/581361664.db2.gz	RXYYMSVLPIEETN-ZJUUUORDSA-N	-1	0	256.302	0.836	20	30		CCEDRM
C[C@@H]1C[C@@H](C(=O)[N-]S(=O)(=O)CCCC#N)CO1	ZINC000784539597	581387428	/nfs/dbraw/zinc/38/74/28/581387428.db2.gz	GCJXWAXHASJCDB-RKDXNWHRSA-N	-1	0	260.315	0.161	20	30		CCEDRM
Cc1cnn(C)c1S(=O)(=O)[N-]c1cnn(CC#N)c1	ZINC000795303779	581403754	/nfs/dbraw/zinc/40/37/54/581403754.db2.gz	BEZVPSNJMRYMPN-UHFFFAOYSA-N	-1	0	280.313	0.249	20	30		CCEDRM
CC(C)(C#N)CC(=O)[N-]S(=O)(=O)Cc1ccon1	ZINC000786443777	581440837	/nfs/dbraw/zinc/44/08/37/581440837.db2.gz	PUFICEAQRHYSKF-UHFFFAOYSA-N	-1	0	271.298	0.560	20	30		CCEDRM
COC(C)(C)CC(=O)[N-]S(=O)(=O)CCCC#N	ZINC000786480402	581442548	/nfs/dbraw/zinc/44/25/48/581442548.db2.gz	QPKGRDGPYCJBON-UHFFFAOYSA-N	-1	0	262.331	0.551	20	30		CCEDRM
CC(C)(C#N)CC(=O)[N-]S(=O)(=O)C[C@H]1CCCO1	ZINC000786487529	581442560	/nfs/dbraw/zinc/44/25/60/581442560.db2.gz	NZWGMWROGZUHHP-SECBINFHSA-N	-1	0	274.342	0.551	20	30		CCEDRM
N#Cc1cccc(S(=O)(=O)[N-]C(=O)CC2OCCO2)c1	ZINC000796745520	581449754	/nfs/dbraw/zinc/44/97/54/581449754.db2.gz	OMQHQGZAAQGJIK-UHFFFAOYSA-N	-1	0	296.304	0.126	20	30		CCEDRM
CC[C@@](C)(OC)C(=O)[N-]S(=O)(=O)CCCC#N	ZINC000796813614	581450896	/nfs/dbraw/zinc/45/08/96/581450896.db2.gz	XPFYRINYKMQXNI-SNVBAGLBSA-N	-1	0	262.331	0.551	20	30		CCEDRM
C=CCS(=O)(=O)[N-]C(=O)c1ncccc1Cl	ZINC000796997365	581457702	/nfs/dbraw/zinc/45/77/02/581457702.db2.gz	VRWFJWOHVIBJCM-UHFFFAOYSA-N	-1	0	260.702	0.981	20	30		CCEDRM
C=CCC(C)(C)C(=O)[N-]S(=O)(=O)[C@@H](C)C(=O)OC	ZINC000797059866	581458643	/nfs/dbraw/zinc/45/86/43/581458643.db2.gz	CSLILCRBJRLKRX-QMMMGPOBSA-N	-1	0	277.342	0.596	20	30		CCEDRM
CC(C)([N-]C(=O)C(F)(F)F)C(=O)NCCC#N	ZINC000787621038	581473839	/nfs/dbraw/zinc/47/38/39/581473839.db2.gz	PJTPHKSBIDZEEJ-UHFFFAOYSA-N	-1	0	251.208	0.473	20	30		CCEDRM
C[C@H]1CN(C(=O)CSCC#N)CC[C@@H]1NC(=O)[O-]	ZINC000739138941	581511054	/nfs/dbraw/zinc/51/10/54/581511054.db2.gz	SDSCKRSFDUXRAU-IUCAKERBSA-N	-1	0	271.342	0.748	20	30		CCEDRM
Cn1nccc1S(=O)(=O)[N-]C(=O)c1ccc(C#N)s1	ZINC000765651440	581531552	/nfs/dbraw/zinc/53/15/52/581531552.db2.gz	IRBLVFFBRMCAAD-UHFFFAOYSA-N	-1	0	296.333	0.472	20	30		CCEDRM
C#CCOCCNC(=O)c1nn(-c2ccccc2)cc1[O-]	ZINC000753233791	581532724	/nfs/dbraw/zinc/53/27/24/581532724.db2.gz	ZFOIBSRNFOFEED-UHFFFAOYSA-N	-1	0	285.303	0.958	20	30		CCEDRM
C#CCOc1ccccc1CNC(=O)c1cc(=O)[nH][n-]1	ZINC000734178138	581548989	/nfs/dbraw/zinc/54/89/89/581548989.db2.gz	UAACWZDIANHZKD-UHFFFAOYSA-N	-1	0	271.276	0.191	20	30		CCEDRM
COCCCNC(=O)C(C#N)=C([O-])c1ccc(C#N)nc1	ZINC000734705463	581582232	/nfs/dbraw/zinc/58/22/32/581582232.db2.gz	HRXQHJWMFJUWLY-GFCCVEGCSA-N	-1	0	286.291	0.428	20	30		CCEDRM
C=CCS(=O)(=O)[N-]C(=O)c1ccc(OC)c(Cl)n1	ZINC000766885118	581584594	/nfs/dbraw/zinc/58/45/94/581584594.db2.gz	DFIRZWSVHIHVNT-UHFFFAOYSA-N	-1	0	290.728	0.989	20	30		CCEDRM
C=CCOCC(=O)[N-]S(=O)(=O)CCc1ccccc1	ZINC000729896036	581619454	/nfs/dbraw/zinc/61/94/54/581619454.db2.gz	FWJKVJGPBIINMG-UHFFFAOYSA-N	-1	0	283.349	0.878	20	30		CCEDRM
CS(=O)(=O)CCNN=C1CCC[C@H]1CNC(=O)[O-]	ZINC000739985901	581641714	/nfs/dbraw/zinc/64/17/14/581641714.db2.gz	ZRGIMLCWIXBTIC-QMMMGPOBSA-N	-1	0	277.346	0.044	20	30		CCEDRM
C#Cc1ccc(C(=O)N2CCC(c3nnn[n-]3)CC2)nc1	ZINC000735390325	581642249	/nfs/dbraw/zinc/64/22/49/581642249.db2.gz	XLUPVVPSLNAUIU-UHFFFAOYSA-N	-1	0	282.307	0.596	20	30		CCEDRM
Cc1nnc([S-])n(N=Cc2cccc(F)c2O)c1=O	ZINC000755510196	581643432	/nfs/dbraw/zinc/64/34/32/581643432.db2.gz	FCHRTUXMIFFZEX-UHFFFAOYSA-N	-1	0	280.284	0.962	20	30		CCEDRM
COc1cc(C=NN2CN=NC2=O)cc([N+](=O)[O-])c1[O-]	ZINC000770615163	581649966	/nfs/dbraw/zinc/64/99/66/581649966.db2.gz	HWKHKLXEANYBAW-UHFFFAOYSA-N	-1	0	279.212	0.488	20	30		CCEDRM
CC#CCS(=O)(=O)[N-]C(=O)c1ccn(C(C)C)n1	ZINC000788071983	581650076	/nfs/dbraw/zinc/65/00/76/581650076.db2.gz	SERAVZZDAJLAEK-UHFFFAOYSA-N	-1	0	269.326	0.547	20	30		CCEDRM
C#CCC(C)(C)C(=O)Nc1n[n-]c(S(C)(=O)=O)n1	ZINC000768709897	581653035	/nfs/dbraw/zinc/65/30/35/581653035.db2.gz	KIMPHHLLBSSTLC-UHFFFAOYSA-N	-1	0	270.314	0.196	20	30		CCEDRM
N#CCCCCNC(=O)[C@H]1COCCN1C(=O)[O-]	ZINC000740306814	581662243	/nfs/dbraw/zinc/66/22/43/581662243.db2.gz	LDOLMCKCDYEPME-SECBINFHSA-N	-1	0	255.274	0.175	20	30		CCEDRM
N#CCN1CCC(CNC(=O)[C@H]2CCCN2C(=O)[O-])CC1	ZINC000740304821	581662555	/nfs/dbraw/zinc/66/25/55/581662555.db2.gz	BOQUIOLOBWGJCN-GFCCVEGCSA-N	-1	0	294.355	0.481	20	30		CCEDRM
N#C[C@H]1CN(C[C@@H]2CCCN(C(=O)[O-])C2)CCO1	ZINC000740308112	581663366	/nfs/dbraw/zinc/66/33/66/581663366.db2.gz	VYIUAVKPODQKKI-QWRGUYRKSA-N	-1	0	253.302	0.601	20	30		CCEDRM
N#CCN(C(=O)CN(C[C@@H]1CCCO1)C(=O)[O-])C1CC1	ZINC000740307924	581663417	/nfs/dbraw/zinc/66/34/17/581663417.db2.gz	DCYDJIIHHPEODM-NSHDSACASA-N	-1	0	281.312	0.660	20	30		CCEDRM
N#CC1(C(=O)N2CC[C@H](NC(=O)[O-])C2)CCOCC1	ZINC000740308695	581663464	/nfs/dbraw/zinc/66/34/64/581663464.db2.gz	AQZULTXLMDXQTK-VIFPVBQESA-N	-1	0	267.285	0.175	20	30		CCEDRM
N#CCOc1ccccc1C(=O)NCCCNC(=O)[O-]	ZINC000740310361	581663946	/nfs/dbraw/zinc/66/39/46/581663946.db2.gz	IUCILAHCOHTWBR-UHFFFAOYSA-N	-1	0	277.280	0.976	20	30		CCEDRM
N#CC1(C(=O)N2CCC(C(=O)[O-])CC2)CCOCC1	ZINC000740309889	581664020	/nfs/dbraw/zinc/66/40/20/581664020.db2.gz	OZXRMUJJANLAEV-UHFFFAOYSA-N	-1	0	266.297	0.630	20	30		CCEDRM
N#Cc1ccc(CC(=O)NCCCNC(=O)[O-])cc1	ZINC000740313705	581664463	/nfs/dbraw/zinc/66/44/63/581664463.db2.gz	WDPWRXJIKQUEOG-UHFFFAOYSA-N	-1	0	261.281	0.875	20	30		CCEDRM
N#Cc1ccc(C(=O)N[C@H]2CCN(C(=O)[O-])C2)nc1	ZINC000740312193	581664514	/nfs/dbraw/zinc/66/45/14/581664514.db2.gz	BHWIKYPWOFEXDX-VIFPVBQESA-N	-1	0	260.253	0.435	20	30		CCEDRM
N#Cc1ccc(COC(=O)[C@H]2C[C@@H](O)CN2C(=O)[O-])cc1	ZINC000740315420	581664798	/nfs/dbraw/zinc/66/47/98/581664798.db2.gz	MDMBDAHUUYLOLW-VXGBXAGGSA-N	-1	0	290.275	0.715	20	30		CCEDRM
N#Cc1cnccc1NC(=O)[C@@H]1CCN(C(=O)[O-])C1	ZINC000740321450	581665027	/nfs/dbraw/zinc/66/50/27/581665027.db2.gz	ASKKHQFDUBHDKM-MRVPVSSYSA-N	-1	0	260.253	0.314	20	30		CCEDRM
N#Cc1ccc(OCC(=O)NCC(=O)[O-])c(Cl)c1	ZINC000740319451	581665185	/nfs/dbraw/zinc/66/51/85/581665185.db2.gz	SXINQTAKNCITHO-UHFFFAOYSA-N	-1	0	268.656	0.791	20	30		CCEDRM
C#CCOCCC(=O)[N-]S(=O)(=O)c1ccc(OC)cc1	ZINC000756504343	581669295	/nfs/dbraw/zinc/66/92/95/581669295.db2.gz	KXWJKRGTYORBFZ-UHFFFAOYSA-N	-1	0	297.332	0.540	20	30		CCEDRM
O=C([O-])N1CC[C@@H](/N=C\c2ccc(O)c(O)c2O)C1	ZINC000740504815	581688655	/nfs/dbraw/zinc/68/86/55/581688655.db2.gz	FCARLKFOBIULLB-PGSWQMMVSA-N	-1	0	266.253	0.975	20	30		CCEDRM
C#CCNC(=O)c1ccccc1NC(=O)[C@H]1C[C@H]1C(=O)[O-]	ZINC000736077005	581694746	/nfs/dbraw/zinc/69/47/46/581694746.db2.gz	WMYQIALGVVALJG-WDEREUQCSA-N	-1	0	286.287	0.709	20	30		CCEDRM
C=CCOCC(=O)N1CCSC[C@H]1CC(=O)[O-]	ZINC000736109583	581696279	/nfs/dbraw/zinc/69/62/79/581696279.db2.gz	QLDCXMWPCNUJSP-SECBINFHSA-N	-1	0	259.327	0.608	20	30		CCEDRM
C=CCOCC(=O)Nc1nc(CC(=O)[O-])cs1	ZINC000736109593	581696728	/nfs/dbraw/zinc/69/67/28/581696728.db2.gz	RBJLZLVUJXWEAC-UHFFFAOYSA-N	-1	0	256.283	0.911	20	30		CCEDRM
N#Cc1ccc(C(=O)[N-]N2C(=O)c3ccccc3C2=O)nc1	ZINC000730736875	581730547	/nfs/dbraw/zinc/73/05/47/581730547.db2.gz	RHPFOAABMJJWLA-UHFFFAOYSA-N	-1	0	292.254	0.894	20	30		CCEDRM
C=CCOCC(=O)[N-]S(=O)(=O)c1cn(CC)c(C)n1	ZINC000770200849	581734410	/nfs/dbraw/zinc/73/44/10/581734410.db2.gz	HRYRELPEAIQIOV-UHFFFAOYSA-N	-1	0	287.341	0.219	20	30		CCEDRM
CC[C@H](C#N)NC(=O)CNc1ccc(-c2nn[nH]n2)cc1	ZINC000736309318	581735528	/nfs/dbraw/zinc/73/55/28/581735528.db2.gz	NLSAUZSETKDXDQ-SNVBAGLBSA-N	-1	0	285.311	0.697	20	30		CCEDRM
Cc1csc(C(C#N)=C([O-])COC(=O)[C@H](O)C2CC2)n1	ZINC000730879381	581743079	/nfs/dbraw/zinc/74/30/79/581743079.db2.gz	QZSNMZSYIBISFC-GXSJLCMTSA-N	-1	0	294.332	0.942	20	30		CCEDRM
CC(C)[C@@H](NC(=O)[O-])C(=O)OCC(=O)N(C)C(C)(C)C#N	ZINC000736382411	581756777	/nfs/dbraw/zinc/75/67/77/581756777.db2.gz	OJNKNQMWVNSYIT-SNVBAGLBSA-N	-1	0	299.327	0.582	20	30		CCEDRM
CC(C)n1cc(S(=O)(=O)[N-]c2cnn(CC#N)c2)cn1	ZINC000741653747	581758834	/nfs/dbraw/zinc/75/88/34/581758834.db2.gz	ORGYMBYDTZACHW-UHFFFAOYSA-N	-1	0	294.340	0.985	20	30		CCEDRM
NC(=O)CNN=Cc1cc(Cl)cc([N+](=O)[O-])c1[O-]	ZINC000758898560	581774780	/nfs/dbraw/zinc/77/47/80/581774780.db2.gz	NSHYVKWAMXZOAN-UHFFFAOYSA-N	-1	0	272.648	0.363	20	30		CCEDRM
Cn1ccnc1C([O-])=C(C#N)C(=O)COC[C@H]1CCCO1	ZINC000770865282	581775728	/nfs/dbraw/zinc/77/57/28/581775728.db2.gz	FAACIKLXORFUHS-MNOVXSKESA-N	-1	0	291.307	0.507	20	30		CCEDRM
CC(C)S(=O)(=O)NN=Cc1cc(C(=O)[O-])ccc1O	ZINC000736499313	581778927	/nfs/dbraw/zinc/77/89/27/581778927.db2.gz	CJXDERJVUUDZKE-UHFFFAOYSA-N	-1	0	286.309	0.752	20	30		CCEDRM
CNC(=O)C(C#N)=C([O-])c1cnn(-c2ccccn2)c1C	ZINC000759215262	581787184	/nfs/dbraw/zinc/78/71/84/581787184.db2.gz	DZNMJBVKFNXMTE-SNVBAGLBSA-N	-1	0	283.291	0.644	20	30		CCEDRM
N#CC1(CS(=O)(=O)[N-]C(=O)Cc2cccnc2)CCC1	ZINC000771071214	581789156	/nfs/dbraw/zinc/78/91/56/581789156.db2.gz	KNBJVKSIMKWTRS-UHFFFAOYSA-N	-1	0	293.348	0.764	20	30		CCEDRM
CSCCC(=O)[N-]S(=O)(=O)CC1(C#N)CCC1	ZINC000771071878	581789281	/nfs/dbraw/zinc/78/92/81/581789281.db2.gz	POOFBKAXPHNYHR-UHFFFAOYSA-N	-1	0	276.383	0.879	20	30		CCEDRM
C[C@@H](Oc1cccc(C=NOCC(N)=O)c1)C(=O)[O-]	ZINC000771578060	581810377	/nfs/dbraw/zinc/81/03/77/581810377.db2.gz	LUFFYCWHACIOPS-MRVPVSSYSA-N	-1	0	266.253	0.374	20	30		CCEDRM
C[C@@H](C(=O)Nc1cc(C#N)ccc1[O-])N1C(=O)CCC1=O	ZINC000759720356	581817888	/nfs/dbraw/zinc/81/78/88/581817888.db2.gz	AOUUUFZJNCXSRR-QMMMGPOBSA-N	-1	0	287.275	0.740	20	30		CCEDRM
CNC(=O)C(C#N)=C([O-])c1cc(C(=O)OC)co1	ZINC000760184679	581847835	/nfs/dbraw/zinc/84/78/35/581847835.db2.gz	UYBRQCHLVATNOC-ZETCQYMHSA-N	-1	0	250.210	0.135	20	30		CCEDRM
COCCNC(=O)C(C#N)=C([O-])c1scnc1Cl	ZINC000744936502	581859113	/nfs/dbraw/zinc/85/91/13/581859113.db2.gz	QYVJABCOGSUVKU-LURJTMIESA-N	-1	0	287.728	0.882	20	30		CCEDRM
N#Cc1ccc(C(=O)NCC(=O)[N-]OCC(F)F)cc1	ZINC000760458027	581859977	/nfs/dbraw/zinc/85/99/77/581859977.db2.gz	DFEISAYEIQYNLG-UHFFFAOYSA-N	-1	0	283.234	0.601	20	30		CCEDRM
CC[C@@](NCC(=O)NCC#N)(C(=O)[O-])c1ccccc1	ZINC000736915494	581867846	/nfs/dbraw/zinc/86/78/46/581867846.db2.gz	DTTMNFXHTUVFOE-AWEZNQCLSA-N	-1	0	275.308	0.606	20	30		CCEDRM
C=CCS(=O)(=O)[N-]C(=O)c1c(C)nn(CC)c1C	ZINC000772720433	581886733	/nfs/dbraw/zinc/88/67/33/581886733.db2.gz	MICLDTGRKFWMEG-UHFFFAOYSA-N	-1	0	271.342	0.765	20	30		CCEDRM
CS(=O)(=O)CCNN=Cc1ccc(C(=O)[O-])cc1	ZINC000733204789	581890724	/nfs/dbraw/zinc/89/07/24/581890724.db2.gz	ZPSCXGKAPUBOPK-UHFFFAOYSA-N	-1	0	270.310	0.353	20	30		CCEDRM
C#CCCNC(=O)c1cc(C)c2c(=O)[n-]c(=O)nc-2[nH]1	ZINC000746260486	581905636	/nfs/dbraw/zinc/90/56/36/581905636.db2.gz	NZTUCZDDKJPVAP-UHFFFAOYSA-N	-1	0	272.264	0.498	20	30		CCEDRM
CSCCCC(=O)Nc1nc(C#N)c(-c2nn[nH]n2)[n-]1	ZINC000737183447	581919994	/nfs/dbraw/zinc/91/99/94/581919994.db2.gz	SCPFTPLQFKCMSC-UHFFFAOYSA-N	-1	0	292.328	0.543	20	30		CCEDRM
CCc1[nH]c(C(=O)N2CCOC[C@H]2C#N)c(C)c1C(=O)[O-]	ZINC000737239609	581925843	/nfs/dbraw/zinc/92/58/43/581925843.db2.gz	CLJGWXAXRJPMFX-SECBINFHSA-N	-1	0	291.307	0.948	20	30		CCEDRM
C=CCN(CC(=O)[O-])C(=O)CCOC[C@H]1CCCO1	ZINC000762049711	581929583	/nfs/dbraw/zinc/92/95/83/581929583.db2.gz	DSVUEZHWCPTYIE-LLVKDONJSA-N	-1	0	271.313	0.671	20	30		CCEDRM
CC(C)NC(=O)C(C#N)=C([O-])c1cnc2c(cnn2C)c1	ZINC000747479291	581942453	/nfs/dbraw/zinc/94/24/53/581942453.db2.gz	LGCGMODFSPBLRG-NSHDSACASA-N	-1	0	285.307	0.815	20	30		CCEDRM
CN(C)C(=O)c1cccc(C(=O)N(CC#N)CC(=O)[O-])c1	ZINC000737355983	581947813	/nfs/dbraw/zinc/94/78/13/581947813.db2.gz	HTHHDJPULIAGNG-UHFFFAOYSA-N	-1	0	289.291	0.439	20	30		CCEDRM
CCn1nccc1C([O-])=C(C#N)C(=O)NCCCOC	ZINC000773965881	581949791	/nfs/dbraw/zinc/94/97/91/581949791.db2.gz	CDOUDGQAZNCTEA-JTQLQIEISA-N	-1	0	278.312	0.378	20	30		CCEDRM
CN(CC#N)C(=O)c1cc(C(=O)[O-])cc([N+](=O)[O-])c1	ZINC000737387743	581951395	/nfs/dbraw/zinc/95/13/95/581951395.db2.gz	USMDHKOSMYHEAG-UHFFFAOYSA-N	-1	0	263.209	0.889	20	30		CCEDRM
CN(CC(=O)OCCNc1ncccc1C#N)C(=O)[O-]	ZINC000737406802	581954340	/nfs/dbraw/zinc/95/43/40/581954340.db2.gz	PTVQHLMSNQTOLB-UHFFFAOYSA-N	-1	0	278.268	0.518	20	30		CCEDRM
C=CCS(=O)(=O)[N-]C(=O)COc1cccc(C(C)=O)c1	ZINC000763033051	581978714	/nfs/dbraw/zinc/97/87/14/581978714.db2.gz	IHBVZBQBYNQEJC-UHFFFAOYSA-N	-1	0	297.332	0.900	20	30		CCEDRM
N#Cc1ccccc1OCC(=O)OCc1n[nH]c(=O)[n-]1	ZINC000774885755	582000303	/nfs/dbraw/zinc/00/03/03/582000303.db2.gz	ZTPRTAATJIXGEG-UHFFFAOYSA-N	-1	0	274.236	0.504	20	30		CCEDRM
N#Cc1cccc(CC(=O)N2CCO[C@@H](c3nnn[n-]3)C2)c1	ZINC000749385426	582006653	/nfs/dbraw/zinc/00/66/53/582006653.db2.gz	KNFHRLYLCYKHEG-GFCCVEGCSA-N	-1	0	298.306	0.214	20	30		CCEDRM
COc1ccc(COCC(=O)N(CC#N)CC(=O)[O-])cc1	ZINC000738010352	582015041	/nfs/dbraw/zinc/01/50/41/582015041.db2.gz	HEHQIABXVPCHJZ-UHFFFAOYSA-N	-1	0	292.291	0.649	20	30		CCEDRM
Cc1cc(=O)[nH]c(NN=Cc2ccc(C(=O)[O-])[nH]2)n1	ZINC000749808067	582023233	/nfs/dbraw/zinc/02/32/33/582023233.db2.gz	TZZFZMRRIYVQMS-UHFFFAOYSA-N	-1	0	261.241	0.963	20	30		CCEDRM
CC1N=NC(=S)N1N=Cc1ccc(C(=O)[O-])[nH]1	ZINC000749812026	582023430	/nfs/dbraw/zinc/02/34/30/582023430.db2.gz	JPVPMVINHCIMHA-UHFFFAOYSA-N	-1	0	251.271	0.784	20	30		CCEDRM
Cn1ccnc1C([O-])=C(C#N)C(=O)[C@H]1CCc2n[nH]cc2C1	ZINC000764044300	582028981	/nfs/dbraw/zinc/02/89/81/582028981.db2.gz	OPZUVBWFSIMIHH-ONGXEEELSA-N	-1	0	297.318	0.840	20	30		CCEDRM
N#C[C@H](NC(=O)[C@@H]1CCCN(C(=O)[O-])C1)C1CC1	ZINC000738421434	582047810	/nfs/dbraw/zinc/04/78/10/582047810.db2.gz	DFVWGBABIRUPJS-ZJUUUORDSA-N	-1	0	251.286	0.795	20	30		CCEDRM
CC[C@H](OC)C(=O)[N-]S(=O)(=O)CC(C)(C)C#N	ZINC000776145289	582051714	/nfs/dbraw/zinc/05/17/14/582051714.db2.gz	APFSCNJQYCQZIQ-QMMMGPOBSA-N	-1	0	262.331	0.407	20	30		CCEDRM
N#CCCCS(=O)(=O)[N-]C(=O)CC[C@H]1CCCO1	ZINC000776121611	582052799	/nfs/dbraw/zinc/05/27/99/582052799.db2.gz	IPKIBQNJDWDFIA-SNVBAGLBSA-N	-1	0	274.342	0.695	20	30		CCEDRM
C#CCN1CCN(C(=O)CCN(C(=O)[O-])C(C)C)CC1	ZINC000738459872	582053194	/nfs/dbraw/zinc/05/31/94/582053194.db2.gz	GPRFVUYPUCMIIO-UHFFFAOYSA-N	-1	0	281.356	0.542	20	30		CCEDRM
C[C@@H](C(=O)[N-]S(=O)(=O)CC(C)(C)C#N)c1cnn(C)c1	ZINC000776139059	582053450	/nfs/dbraw/zinc/05/34/50/582053450.db2.gz	TYKCSEBMRZTVTG-SECBINFHSA-N	-1	0	298.368	0.519	20	30		CCEDRM
C#CCSCCNC(=O)[C@@H]1CCCN1C(=O)[O-]	ZINC000738471267	582054355	/nfs/dbraw/zinc/05/43/55/582054355.db2.gz	XBQIXWLQGDGFFG-VIFPVBQESA-N	-1	0	256.327	0.611	20	30		CCEDRM
CC(C)(C#N)CS(=O)(=O)[N-]C(=O)COCC1CC1	ZINC000776146446	582054949	/nfs/dbraw/zinc/05/49/49/582054949.db2.gz	OCURBVABWAYWKJ-UHFFFAOYSA-N	-1	0	274.342	0.409	20	30		CCEDRM
C=CCNC(=O)[C@H](C)N1CCN(C(=O)[O-])[C@@H](C)C1	ZINC000738496210	582056399	/nfs/dbraw/zinc/05/63/99/582056399.db2.gz	UJUURCXLZVVUJZ-UWVGGRQHSA-N	-1	0	255.318	0.361	20	30		CCEDRM
CN1C(=O)CN([N-]C(=O)c2c(F)cc(C#N)cc2F)C1=O	ZINC000776247660	582064869	/nfs/dbraw/zinc/06/48/69/582064869.db2.gz	ZOZWGBXMQILFFC-UHFFFAOYSA-N	-1	0	294.217	0.375	20	30		CCEDRM
C[C@H](C#N)CNC(=O)C(C)(C)N1CCN(C(=O)[O-])CC1	ZINC000738597425	582065129	/nfs/dbraw/zinc/06/51/29/582065129.db2.gz	SCGDWXOFEQDOLW-SNVBAGLBSA-N	-1	0	282.344	0.336	20	30		CCEDRM
Cc1ccc(F)cc1S(=O)(=O)N(CC#N)CC(=O)[O-]	ZINC000738606600	582065401	/nfs/dbraw/zinc/06/54/01/582065401.db2.gz	IVPOEJBDAINRNI-UHFFFAOYSA-N	-1	0	286.284	0.733	20	30		CCEDRM
CC(C)(C#N)CS(=O)(=O)[N-]C(=O)[C@H]1C[C@@]12CCOC2	ZINC000764791447	582069224	/nfs/dbraw/zinc/06/92/24/582069224.db2.gz	VQGWQKOKPRFNHN-BXKDBHETSA-N	-1	0	286.353	0.409	20	30		CCEDRM
CC(C)(CCC(=O)N(CC#N)CC#N)NC(=O)[O-]	ZINC000738741466	582072629	/nfs/dbraw/zinc/07/26/29/582072629.db2.gz	XSBWMZFWPXZYCJ-UHFFFAOYSA-N	-1	0	252.274	0.689	20	30		CCEDRM
CC(CCn1cccn1)N=Nc1nc2[nH][nH]cc-2c(=O)n1	ZINC000776769061	582089908	/nfs/dbraw/zinc/08/99/08/582089908.db2.gz	PEWPARKXAWBBPH-UHFFFAOYSA-N	-1	0	286.299	0.507	20	30		CCEDRM
C[C@H](OC(=O)[C@H]1CCN(C(=O)[O-])C1)C(=O)N(C)CCC#N	ZINC000739045479	582099269	/nfs/dbraw/zinc/09/92/69/582099269.db2.gz	KWQQXIFEFULKTQ-UWVGGRQHSA-N	-1	0	297.311	0.290	20	30		CCEDRM
N#C[C@H](C(=O)[C@@H]1C[C@@H]1C(=O)[O-])C(=O)N1CCCC1	ZINC000739073255	582100912	/nfs/dbraw/zinc/10/09/12/582100912.db2.gz	CCKVHDHQKRJXKN-HRDYMLBCSA-N	-1	0	250.254	0.038	20	30		CCEDRM
N#CCN1CCC(NC(=S)NCCCC(=O)[O-])CC1	ZINC000739085860	582101930	/nfs/dbraw/zinc/10/19/30/582101930.db2.gz	LDIOHECLMCGYLO-UHFFFAOYSA-N	-1	0	284.385	0.303	20	30		CCEDRM
COc1cc(F)cc(NN=Cc2cn(CC(=O)[O-])nn2)c1	ZINC000768483777	582107269	/nfs/dbraw/zinc/10/72/69/582107269.db2.gz	DJXNJCSSZFETDT-UHFFFAOYSA-N	-1	0	293.258	0.956	20	30		CCEDRM
C=C(C)COCCNC(=O)[C@H](NC(=O)[O-])C(C)C	ZINC000823480631	613352099	/nfs/dbraw/zinc/35/20/99/613352099.db2.gz	JNGIVZSCQITMPH-SNVBAGLBSA-N	-1	0	258.318	0.988	20	30		CCEDRM
C=C(C)CS(=O)(=O)NCc1ncc(C(=O)[O-])s1	ZINC000903046231	613354246	/nfs/dbraw/zinc/35/42/46/613354246.db2.gz	XWEWJNYJWNFKEI-UHFFFAOYSA-N	-1	0	276.339	0.837	20	30		CCEDRM
CCCCS(=O)(=O)N1CCC[C@@H](C#CC(=O)[O-])C1	ZINC000899927490	614467124	/nfs/dbraw/zinc/46/71/24/614467124.db2.gz	WGUVTNYDDDAABX-NSHDSACASA-N	-1	0	273.354	0.916	20	30		CCEDRM
CCS(=O)(CC)=NS(=O)(=O)[N-]C[C@@H](C)C#N	ZINC000866894411	615356889	/nfs/dbraw/zinc/35/68/89/615356889.db2.gz	CPUCOMIEKLDAJA-QMMMGPOBSA-N	-1	0	267.376	0.488	20	30		CCEDRM
C#CCCCNC(=O)N[C@@H](C[C@H]1CCCOC1)C(=O)[O-]	ZINC000909028701	612982082	/nfs/dbraw/zinc/98/20/82/612982082.db2.gz	VBKCXXNUIUYARX-NEPJUHHUSA-N	-1	0	282.340	0.969	20	30		CCEDRM
COC(=O)C(C)(C)CS(=O)(=O)[N-]C(=O)[C@@H](C)CC#N	ZINC000851034041	616339191	/nfs/dbraw/zinc/33/91/91/616339191.db2.gz	HDJSUINVOQRQMJ-QMMMGPOBSA-N	-1	0	290.341	0.181	20	30		CCEDRM
Cc1c(C#N)cccc1NC(=O)C(=O)N[C@H](C)C(=O)[O-]	ZINC000818763129	597276245	/nfs/dbraw/zinc/27/62/45/597276245.db2.gz	AKWJCUZAOZWPJE-MRVPVSSYSA-N	-1	0	275.264	0.395	20	30		CCEDRM
N#Cc1cccc(OCC(=O)NCCCC(=O)[O-])c1	ZINC000819106548	597281296	/nfs/dbraw/zinc/28/12/96/597281296.db2.gz	YCRXDPZTAXMRHK-UHFFFAOYSA-N	-1	0	262.265	0.918	20	30		CCEDRM
C[C@@H](C(=O)[O-])N(C)CC(=O)Nc1sccc1C#N	ZINC000054070654	597474354	/nfs/dbraw/zinc/47/43/54/597474354.db2.gz	RLCAUBJQAHCIFB-ZETCQYMHSA-N	-1	0	267.310	0.963	20	30		CCEDRM
C[C@@](C#N)(CC(=O)[O-])C(=O)OCC(=O)NC1CCCC1	ZINC000819865836	597604515	/nfs/dbraw/zinc/60/45/15/597604515.db2.gz	ORAXXKHZGHXYKR-ZDUSSCGKSA-N	-1	0	282.296	0.593	20	30		CCEDRM
C[C@H](OC(=O)[C@](C)(C#N)CC(=O)[O-])C(=O)N(C)C	ZINC000820161254	597613282	/nfs/dbraw/zinc/61/32/82/597613282.db2.gz	NNLKNCIWURKOQG-CPCISQLKSA-N	-1	0	256.258	0.011	20	30		CCEDRM
Cn1cc(C(=O)COC(=O)[C@@](C)(C#N)CC(=O)[O-])cn1	ZINC000821277853	597617808	/nfs/dbraw/zinc/61/78/08/597617808.db2.gz	QWFWHRAGVHXGNG-GFCCVEGCSA-N	-1	0	279.252	0.151	20	30		CCEDRM
C[C@](C#N)(CC(=O)[O-])C(=O)NCCNc1ccccn1	ZINC000819841910	597631406	/nfs/dbraw/zinc/63/14/06/597631406.db2.gz	GUMQUQQVBZCYKH-CYBMUJFWSA-N	-1	0	276.296	0.614	20	30		CCEDRM
C[C@@](C#N)(CC(=O)[O-])C(=O)NC[C@@H](CO)Cc1ccco1	ZINC000819832456	597632729	/nfs/dbraw/zinc/63/27/29/597632729.db2.gz	BJFUVNJNTZHDGN-HZMBPMFUSA-N	-1	0	294.307	0.551	20	30		CCEDRM
C[C@@](C#N)(CC(=O)[O-])C(=O)NC[C@H](O)c1cccc(F)c1	ZINC000819833933	597638960	/nfs/dbraw/zinc/63/89/60/597638960.db2.gz	KOVNTVAAGCKZMU-FZMZJTMJSA-N	-1	0	294.282	0.980	20	30		CCEDRM
COc1cc(C)c(C=Nn2c(=O)[n-][nH]c2=O)cc1OC	ZINC000814230944	617174105	/nfs/dbraw/zinc/17/41/05/617174105.db2.gz	FFAOXCNOVHNMFD-UHFFFAOYSA-N	-1	0	278.268	0.897	20	30		CCEDRM
C[C@](C#N)(CC(=O)[O-])C(=O)N1CC[C@](O)(C(F)(F)F)C1	ZINC000819811905	597649467	/nfs/dbraw/zinc/64/94/67/597649467.db2.gz	WSHXETITDINJGV-NXEZZACHSA-N	-1	0	294.229	0.517	20	30		CCEDRM
C[C@@](O)(CNC(=O)[C@](C)(C#N)CC(=O)[O-])c1ccco1	ZINC000819832450	597649613	/nfs/dbraw/zinc/64/96/13/597649613.db2.gz	BIXUMJYTCSDQSZ-QWHCGFSZSA-N	-1	0	280.280	0.608	20	30		CCEDRM
C[C@](C#N)(CC(=O)[O-])C(=O)NC[C@@H](O)c1ccccc1F	ZINC000819834412	597652767	/nfs/dbraw/zinc/65/27/67/597652767.db2.gz	MYVCUKBQNQCBAL-BXUZGUMPSA-N	-1	0	294.282	0.980	20	30		CCEDRM
C[C@](C#N)(CC(=O)[O-])C(=O)N[C@@H]1CCCC[C@H]1O	ZINC000819822505	597656473	/nfs/dbraw/zinc/65/64/73/597656473.db2.gz	OEYANBNLSGWDES-KBVBSXBZSA-N	-1	0	254.286	0.411	20	30		CCEDRM
Cc1cc(C[C@H](C)NC(=O)[C@@](C)(C#N)CC(=O)[O-])[nH]n1	ZINC000820976335	597657968	/nfs/dbraw/zinc/65/79/68/597657968.db2.gz	BLAOZWZSVMAINW-ISVAXAHUSA-N	-1	0	278.312	0.770	20	30		CCEDRM
C[C@@](O)(CNC(=O)[C@](C)(C#N)CC(=O)[O-])C(F)(F)F	ZINC000819835484	597659940	/nfs/dbraw/zinc/65/99/40/597659940.db2.gz	VJCLPYPMHWJBND-DTWKUNHWSA-N	-1	0	282.218	0.420	20	30		CCEDRM
C[C@@H](CO)CCCNC(=O)[C@](C)(C#N)CC(=O)[O-]	ZINC000820101788	597660093	/nfs/dbraw/zinc/66/00/93/597660093.db2.gz	GBEUPFQHMYNICR-SKDRFNHKSA-N	-1	0	256.302	0.516	20	30		CCEDRM
C[C@](C#N)(CC(=O)[O-])C(=O)Nc1nnc2n1CCCC2	ZINC000819865021	597664449	/nfs/dbraw/zinc/66/44/49/597664449.db2.gz	GGPSTITYULVATL-GFCCVEGCSA-N	-1	0	277.284	0.557	20	30		CCEDRM
N#Cc1cccc(NC(=O)C(=O)NCCCCC(=O)[O-])c1	ZINC000821340640	598171729	/nfs/dbraw/zinc/17/17/29/598171729.db2.gz	SRPXYZMQOWKDBU-UHFFFAOYSA-N	-1	0	289.291	0.868	20	30		CCEDRM
Cc1nn(C)c(C)c1CCNC(=O)[C@@](C)(C#N)CC(=O)[O-]	ZINC000821202116	598223972	/nfs/dbraw/zinc/22/39/72/598223972.db2.gz	CRZTYPZVBMXYFJ-CQSZACIVSA-N	-1	0	292.339	0.700	20	30		CCEDRM
C[C@H](C[C@H]1CCOC1)NC(=O)[C@@](C)(C#N)CC(=O)[O-]	ZINC000820088488	598230335	/nfs/dbraw/zinc/23/03/35/598230335.db2.gz	AIXGGFSJCALNNQ-GIPNMCIBSA-N	-1	0	268.313	0.922	20	30		CCEDRM
C[C@@H]1CCCC[C@@H]1NC(=O)CN(CC#N)CC(=O)[O-]	ZINC000828252371	601004536	/nfs/dbraw/zinc/00/45/36/601004536.db2.gz	STKAFQMEDSCFCV-MNOVXSKESA-N	-1	0	267.329	0.591	20	30		CCEDRM
N#CCN(CC(=O)[O-])C[C@@H](O)c1ccc(F)cc1F	ZINC000833067222	601227007	/nfs/dbraw/zinc/22/70/07/601227007.db2.gz	RHTSAWWHJNBGHR-LLVKDONJSA-N	-1	0	270.235	0.908	20	30		CCEDRM
C[C@H](CC#N)NS(=O)(=O)c1ccc(OCC(=O)[O-])cc1	ZINC000050391927	599730158	/nfs/dbraw/zinc/73/01/58/599730158.db2.gz	YSOWYQQBHGURNL-SECBINFHSA-N	-1	0	298.320	0.730	20	30		CCEDRM
N#CCNC(=O)CN1Cc2ccccc2C[C@H]1C(=O)[O-]	ZINC000061448946	599923387	/nfs/dbraw/zinc/92/33/87/599923387.db2.gz	BZOVHXDRMXLIGH-LBPRGKRZSA-N	-1	0	273.292	0.138	20	30		CCEDRM
C#CCSCC(=O)N1CCC[C@H](c2nnn[n-]2)C1	ZINC000897161267	613009868	/nfs/dbraw/zinc/00/98/68/613009868.db2.gz	CEJGNZHMASGAGD-VIFPVBQESA-N	-1	0	265.342	0.272	20	30		CCEDRM
C#CCCNS(=O)(=O)Cc1cccc(C(=O)[O-])c1	ZINC000070246291	600233929	/nfs/dbraw/zinc/23/39/29/600233929.db2.gz	SFRRPISNCFOKIS-UHFFFAOYSA-N	-1	0	267.306	0.828	20	30		CCEDRM
N#CCN(CC(=O)[O-])C(=O)c1cc(=O)[nH]c2ccccc21	ZINC000739079191	600402813	/nfs/dbraw/zinc/40/28/13/600402813.db2.gz	SXBVBOULPQVLGX-UHFFFAOYSA-N	-1	0	285.259	0.991	20	30		CCEDRM
N#CCN1CCC(NC(=O)[C@@H]2CCC[C@H](C(=O)[O-])C2)CC1	ZINC000833066922	600940170	/nfs/dbraw/zinc/94/01/70/600940170.db2.gz	LETZQISLHKKWFR-NEPJUHHUSA-N	-1	0	293.367	0.982	20	30		CCEDRM
N#Cc1ccc(C(=O)N(CC(=O)[O-])C2CCOCC2)nc1	ZINC000833070486	600959976	/nfs/dbraw/zinc/95/99/76/600959976.db2.gz	IRTMLZIOJKTFJK-UHFFFAOYSA-N	-1	0	289.291	0.659	20	30		CCEDRM
N#CCN(CC(=O)[O-])C(=O)CC1(O)CCCCC1	ZINC000833066302	600963750	/nfs/dbraw/zinc/96/37/50/600963750.db2.gz	TUKBDXAAXOITLT-UHFFFAOYSA-N	-1	0	254.286	0.508	20	30		CCEDRM
Cc1noc(C(F)F)c1C(=O)N(CC#N)CC(=O)[O-]	ZINC000833020092	600997213	/nfs/dbraw/zinc/99/72/13/600997213.db2.gz	UFQILNVOLSROQW-UHFFFAOYSA-N	-1	0	273.195	0.971	20	30		CCEDRM
N#CCN(CC(=O)[O-])CC(=O)NC1CCCCCC1	ZINC000833066347	601002854	/nfs/dbraw/zinc/00/28/54/601002854.db2.gz	VWNRRMFGJSERMW-UHFFFAOYSA-N	-1	0	267.329	0.736	20	30		CCEDRM
N#C[C@H]1COCCN1CC(=O)Nc1ccccc1C(=O)[O-]	ZINC000833061517	601041663	/nfs/dbraw/zinc/04/16/63/601041663.db2.gz	COENGGREXLLRHS-JTQLQIEISA-N	-1	0	289.291	0.548	20	30		CCEDRM
COc1csc(C(=O)N(CC#N)CC(=O)[O-])c1	ZINC000832642742	601182288	/nfs/dbraw/zinc/18/22/88/601182288.db2.gz	CUIHFGBRNOEKIF-UHFFFAOYSA-N	-1	0	254.267	0.807	20	30		CCEDRM
N#CCN(CC(=O)[O-])C[C@@H](O)COCc1ccccc1	ZINC000833066504	601242359	/nfs/dbraw/zinc/24/23/59/601242359.db2.gz	BJJOGDOSCOVPAI-CYBMUJFWSA-N	-1	0	278.308	0.474	20	30		CCEDRM
Cc1cc(F)cc(S(=O)(=O)N(CC#N)CC(=O)[O-])c1	ZINC000832888092	601248321	/nfs/dbraw/zinc/24/83/21/601248321.db2.gz	PGXZTLQXCRDEKL-UHFFFAOYSA-N	-1	0	286.284	0.733	20	30		CCEDRM
Cn1cc(C#N)cc1C(=O)N1CCC(C(=O)[O-])CC1	ZINC000819063603	601269941	/nfs/dbraw/zinc/26/99/41/601269941.db2.gz	JIBFLDKJEDBLFU-UHFFFAOYSA-N	-1	0	261.281	0.834	20	30		CCEDRM
N#CCN(CC(=O)[O-])C(=O)[C@H]1CC12CCOCC2	ZINC000833065965	601286624	/nfs/dbraw/zinc/28/66/24/601286624.db2.gz	MBWWEEMBHMFBQR-SECBINFHSA-N	-1	0	252.270	0.240	20	30		CCEDRM
N#C[C@@H]1CCC[C@H]1NS(=O)(=O)CCCC(=O)[O-]	ZINC000061890075	601476681	/nfs/dbraw/zinc/47/66/81/601476681.db2.gz	YQPIMCOPJSVNRS-DTWKUNHWSA-N	-1	0	260.315	0.463	20	30		CCEDRM
N#Cc1cc(F)c(C(=O)N2CCO[C@@H](C(=O)[O-])C2)c(F)c1	ZINC000819096000	601677695	/nfs/dbraw/zinc/67/76/95/601677695.db2.gz	QFJXQHYRPFHTTB-SNVBAGLBSA-N	-1	0	296.229	0.762	20	30		CCEDRM
C[C@@H](CS(=O)(=O)Oc1cccc(C#N)c1)C(=O)[O-]	ZINC000827572103	601771703	/nfs/dbraw/zinc/77/17/03/601771703.db2.gz	YZRDFWJNBAXZCS-QMMMGPOBSA-N	-1	0	269.278	0.988	20	30		CCEDRM
N#Cc1ccc([C@H](O)CN2CCO[C@H](CC(=O)[O-])C2)cc1	ZINC000833071768	602018893	/nfs/dbraw/zinc/01/88/93/602018893.db2.gz	IJEQFVCGPMVUSA-ZIAGYGMSSA-N	-1	0	290.319	0.767	20	30		CCEDRM
N#Cc1ccnc(N2CCO[C@@H](CC(=O)[O-])C2)c1[N+](=O)[O-]	ZINC000212858344	602129474	/nfs/dbraw/zinc/12/94/74/602129474.db2.gz	RXBAOOMZLSOGIR-VIFPVBQESA-N	-1	0	292.251	0.541	20	30		CCEDRM
C[C@@H](CC(=O)[O-])C(=O)NC1CCN(CC#N)CC1	ZINC000827279778	602153170	/nfs/dbraw/zinc/15/31/70/602153170.db2.gz	HTLXNBVMWYVENV-VIFPVBQESA-N	-1	0	253.302	0.201	20	30		CCEDRM
Cc1cc(NC(=O)COCCNC(=O)[O-])n(CCC#N)n1	ZINC000740086692	602662299	/nfs/dbraw/zinc/66/22/99/602662299.db2.gz	ONTOUBUOGKZCSK-UHFFFAOYSA-N	-1	0	295.299	0.328	20	30		CCEDRM
C[C@H](CC#N)NC(=O)CN(C[C@@H]1CCCO1)C(=O)[O-]	ZINC000738895645	602869846	/nfs/dbraw/zinc/86/98/46/602869846.db2.gz	XYDPDQRFVQKVLT-ZJUUUORDSA-N	-1	0	269.301	0.564	20	30		CCEDRM
N#CC1(NC(=O)c2ccc(CNC(=O)[O-])o2)CCOCC1	ZINC000831076279	602946141	/nfs/dbraw/zinc/94/61/41/602946141.db2.gz	JFQAIGHVPOZSLR-UHFFFAOYSA-N	-1	0	293.279	0.850	20	30		CCEDRM
C[C@@H]1CN(S(=O)(=O)CCCCC#N)CCN1C(=O)[O-]	ZINC000826069737	603121788	/nfs/dbraw/zinc/12/17/88/603121788.db2.gz	WUVYMGCRGYNHCN-SNVBAGLBSA-N	-1	0	289.357	0.694	20	30		CCEDRM
N#CCN(CN1CC2(CN(C(=O)[O-])C2)CC1=O)C1CC1	ZINC000831097155	603587094	/nfs/dbraw/zinc/58/70/94/603587094.db2.gz	DXKRFIAKLFAZBT-UHFFFAOYSA-N	-1	0	278.312	0.144	20	30		CCEDRM
Cc1cc(C(=O)N2CCN(C(=O)[O-])C[C@H]2C#N)on1	ZINC000829930658	603592575	/nfs/dbraw/zinc/59/25/75/603592575.db2.gz	ZZRPKTOYBQDBRY-MRVPVSSYSA-N	-1	0	264.241	0.311	20	30		CCEDRM
Cc1nn(C)cc1C(=O)N1CCN(C(=O)[O-])C[C@H]1C#N	ZINC000830865886	603598421	/nfs/dbraw/zinc/59/84/21/603598421.db2.gz	QHWGEEQDBCQJCS-SECBINFHSA-N	-1	0	277.284	0.057	20	30		CCEDRM
N#C[C@@H]1CN(C(=O)[O-])CCN1C(=O)c1n[nH]c2c1CCC2	ZINC000831091478	603599247	/nfs/dbraw/zinc/59/92/47/603599247.db2.gz	FVLCSVONBACJGH-MRVPVSSYSA-N	-1	0	289.295	0.226	20	30		CCEDRM
N#C[C@H]1CN(C(=O)[O-])CCN1C(=O)c1cccnc1	ZINC000831091822	603600805	/nfs/dbraw/zinc/60/08/05/603600805.db2.gz	LPXPTYUUAOJSBI-JTQLQIEISA-N	-1	0	260.253	0.410	20	30		CCEDRM
Cn1cc(CCC(=O)N2CCN(C(=O)[O-])C[C@H]2C#N)cn1	ZINC000830999450	603604055	/nfs/dbraw/zinc/60/40/55/603604055.db2.gz	IGUMBJDSSJZEGE-LLVKDONJSA-N	-1	0	291.311	0.067	20	30		CCEDRM
Cn1cc(CCC(=O)N2CCN(C(=O)[O-])C[C@@H]2C#N)cn1	ZINC000830999451	603604218	/nfs/dbraw/zinc/60/42/18/603604218.db2.gz	IGUMBJDSSJZEGE-NSHDSACASA-N	-1	0	291.311	0.067	20	30		CCEDRM
N#C[C@@H]1CN(C(=O)[O-])CCN1CC(=O)N1CCCCCC1	ZINC000831091578	603726238	/nfs/dbraw/zinc/72/62/38/603726238.db2.gz	IEVYQIYBKQCXPJ-GFCCVEGCSA-N	-1	0	294.355	0.577	20	30		CCEDRM
C[C@H]1CCCN(CC(=O)NCCC#N)[C@H]1CNC(=O)[O-]	ZINC000825923908	603729840	/nfs/dbraw/zinc/72/98/40/603729840.db2.gz	AGXFCPSFMRYJDZ-QWRGUYRKSA-N	-1	0	282.344	0.384	20	30		CCEDRM
C[C@@H]1OC(C)(C)N(C(=O)[O-])[C@@H]1C(=O)N1CCO[C@@H](C#N)C1	ZINC000826101773	603762231	/nfs/dbraw/zinc/76/22/31/603762231.db2.gz	QDNUZMBSYQONBW-GUBZILKMSA-N	-1	0	297.311	0.241	20	30		CCEDRM
N#Cc1ccc(C(=O)O[C@@H]2CN(C(=O)[O-])CCC2=O)nc1	ZINC000831122751	603821558	/nfs/dbraw/zinc/82/15/58/603821558.db2.gz	QIULAVATDHFQQU-LLVKDONJSA-N	-1	0	289.247	0.431	20	30		CCEDRM
N#Cc1c[nH]c(C(=O)N[C@H](CNC(=O)[O-])C2CC2)c1	ZINC000831114996	603907426	/nfs/dbraw/zinc/90/74/26/603907426.db2.gz	XHAZVRCJBDYHHB-SNVBAGLBSA-N	-1	0	262.269	0.662	20	30		CCEDRM
C[C@@H](CC(=O)NC[C@@H]1CCCN(CC#N)C1)NC(=O)[O-]	ZINC000824634397	603914583	/nfs/dbraw/zinc/91/45/83/603914583.db2.gz	DQQJUGIUEHGORT-QWRGUYRKSA-N	-1	0	282.344	0.384	20	30		CCEDRM
C[C@]1(C(=O)N2CCO[C@@H](C#N)C2)CCN(C(=O)[O-])C1	ZINC000825657632	603929650	/nfs/dbraw/zinc/92/96/50/603929650.db2.gz	VCHBWLXFWGKQNH-CABZTGNLSA-N	-1	0	267.285	0.127	20	30		CCEDRM
N#CC1(NC(=O)[C@@H]2CC[C@@H](NC(=O)[O-])C2)CCC1	ZINC000831071015	603960361	/nfs/dbraw/zinc/96/03/61/603960361.db2.gz	WVIKEZYTZIEMLH-RKDXNWHRSA-N	-1	0	251.286	0.985	20	30		CCEDRM
N#Cc1ccc(OCCn2nnnc2CNC(=O)[O-])cc1	ZINC000831141522	604029893	/nfs/dbraw/zinc/02/98/93/604029893.db2.gz	JCQJYFQCFZARSZ-UHFFFAOYSA-N	-1	0	288.267	0.391	20	30		CCEDRM
N#C[C@@H]1CN(C(=O)[O-])CCN1C(=O)c1cncs1	ZINC000831091334	604069743	/nfs/dbraw/zinc/06/97/43/604069743.db2.gz	BQGFRNBMIXIJKP-SSDOTTSWSA-N	-1	0	266.282	0.471	20	30		CCEDRM
N#C[C@H]1CN(C(=O)[O-])CCN1C(=O)[C@H]1CCCS1	ZINC000831076167	604080246	/nfs/dbraw/zinc/08/02/46/604080246.db2.gz	HFSXKSCFYPFAPR-DTWKUNHWSA-N	-1	0	269.326	0.596	20	30		CCEDRM
Cn1cc(C#N)c(NC(=O)N[C@H]2CCN(C(=O)[O-])C2)n1	ZINC000830985137	604154473	/nfs/dbraw/zinc/15/44/73/604154473.db2.gz	MFLMPZDGPHMMGY-QMMMGPOBSA-N	-1	0	278.272	0.166	20	30		CCEDRM
Cc1ncccc1C(=O)N1CCN(C(=O)[O-])C[C@H]1C#N	ZINC000830818648	604154977	/nfs/dbraw/zinc/15/49/77/604154977.db2.gz	OHJQRYKITJSOBZ-SNVBAGLBSA-N	-1	0	274.280	0.718	20	30		CCEDRM
C[C@@H](OC(=O)[C@@H](C)CN(C)C(=O)[O-])C(=O)N(C)CCC#N	ZINC000824880830	604246523	/nfs/dbraw/zinc/24/65/23/604246523.db2.gz	NTTGSRWEBIFZJI-VHSXEESVSA-N	-1	0	299.327	0.536	20	30		CCEDRM
C#CC[C@@H](NC(=O)Cc1ccc([S@@](C)=O)cc1)C(=O)[O-]	ZINC000910050007	613040298	/nfs/dbraw/zinc/04/02/98/613040298.db2.gz	BVUOHPYODXVAFB-MPBGBICISA-N	-1	0	293.344	0.559	20	30		CCEDRM
C[C@@H](NC(=O)[O-])[C@@H]1CN(C(=O)C2(C#N)CCC2)CCO1	ZINC000825292873	604736395	/nfs/dbraw/zinc/73/63/95/604736395.db2.gz	CTYUQPJJUBYKDI-ZJUUUORDSA-N	-1	0	281.312	0.564	20	30		CCEDRM
C#CC[C@@H](NC(=O)[C@@H]1CCc2c[nH]nc2C1)C(=O)[O-]	ZINC000910050542	613040846	/nfs/dbraw/zinc/04/08/46/613040846.db2.gz	KPNOMEILJFWRMR-PSASIEDQSA-N	-1	0	261.281	0.107	20	30		CCEDRM
O=C([O-])C[C@H]1C(=O)NCCN1CC#Cc1ccc(F)cc1	ZINC000833208138	604834180	/nfs/dbraw/zinc/83/41/80/604834180.db2.gz	SEWHJTXGNYQOBL-ZDUSSCGKSA-N	-1	0	290.294	0.452	20	30		CCEDRM
C[C@@H](CC#N)NS(=O)(=O)c1ccccc1C(=O)[O-]	ZINC000833516615	605023286	/nfs/dbraw/zinc/02/32/86/605023286.db2.gz	YTERDODINXHHQM-QMMMGPOBSA-N	-1	0	268.294	0.965	20	30		CCEDRM
CC(C)(C#N)CNS(=O)(=O)CC1(CC(=O)[O-])CC1	ZINC000833413449	605084601	/nfs/dbraw/zinc/08/46/01/605084601.db2.gz	PPDTYTOQEJUOGX-UHFFFAOYSA-N	-1	0	274.342	0.710	20	30		CCEDRM
Cc1ccc(C#N)c(N2CCO[C@H](CC(=O)[O-])C2)n1	ZINC000091294314	605157616	/nfs/dbraw/zinc/15/76/16/605157616.db2.gz	PDVBPTKKOQBFND-LLVKDONJSA-N	-1	0	261.281	0.942	20	30		CCEDRM
C[C@@H](CC#N)NS(=O)(=O)c1cc(C(=O)[O-])co1	ZINC000694211126	605198747	/nfs/dbraw/zinc/19/87/47/605198747.db2.gz	TXKCGUSRKDMZTH-LURJTMIESA-N	-1	0	258.255	0.558	20	30		CCEDRM
C[C@@H](NC(=O)[O-])C(=O)OC1CCN(CC#N)CC1	ZINC000825186890	605269151	/nfs/dbraw/zinc/26/91/51/605269151.db2.gz	VYZULXKENHIPIG-MRVPVSSYSA-N	-1	0	255.274	0.174	20	30		CCEDRM
N#CCCCNC(=O)C[C@@H]1CSCCN1C(=O)[O-]	ZINC000833969088	605350356	/nfs/dbraw/zinc/35/03/56/605350356.db2.gz	QITJLFYULYAPCD-SECBINFHSA-N	-1	0	271.342	0.892	20	30		CCEDRM
CCN(CCC#N)S(=O)(=O)C1CCN(C(=O)[O-])CC1	ZINC000833858207	605391120	/nfs/dbraw/zinc/39/11/20/605391120.db2.gz	XWAINSSOUYMSID-UHFFFAOYSA-N	-1	0	289.357	0.694	20	30		CCEDRM
COc1ccc(C#N)cc1Cn1nnnc1CNC(=O)[O-]	ZINC000829268873	605469700	/nfs/dbraw/zinc/46/97/00/605469700.db2.gz	MZPJPUPLEZMODH-UHFFFAOYSA-N	-1	0	288.267	0.369	20	30		CCEDRM
N#C[C@@H]1CN(C(=O)[O-])C[C@@H]1NC[C@H](O)Cc1ccccc1	ZINC000833965571	605673923	/nfs/dbraw/zinc/67/39/23/605673923.db2.gz	BWWGJMRULBZMKJ-MCIONIFRSA-N	-1	0	289.335	0.682	20	30		CCEDRM
O=C([O-])N1CCc2cccc(C=NN3CN=NC3=O)c21	ZINC000834124007	605699290	/nfs/dbraw/zinc/69/92/90/605699290.db2.gz	ZBFOLVWZUVUQDZ-UHFFFAOYSA-N	-1	0	273.252	0.906	20	30		CCEDRM
N#C[C@@H]1CN(C(=O)[O-])CCN1C(=O)[C@@H]1CCCCO1	ZINC000831075695	605710274	/nfs/dbraw/zinc/71/02/74/605710274.db2.gz	BYOHABKXQSRCKB-ZJUUUORDSA-N	-1	0	267.285	0.270	20	30		CCEDRM
N#CCOc1ccccc1C(=O)NCC1CN(C(=O)[O-])C1	ZINC000833967117	605747028	/nfs/dbraw/zinc/74/70/28/605747028.db2.gz	HPNUVVRNHNEAMY-UHFFFAOYSA-N	-1	0	289.291	0.929	20	30		CCEDRM
N#CCC1CCN(C(=O)[C@H]2C[C@@H](O)CN2C(=O)[O-])CC1	ZINC000833967857	605932534	/nfs/dbraw/zinc/93/25/34/605932534.db2.gz	HREFRLATUOREQP-GHMZBOCLSA-N	-1	0	281.312	0.252	20	30		CCEDRM
N#C[C@@]1(NC(=O)CN(C(=O)[O-])C2CC2)CCSC1	ZINC000833963437	605976465	/nfs/dbraw/zinc/97/64/65/605976465.db2.gz	MKICGHJSKZJXLW-NSHDSACASA-N	-1	0	269.326	0.644	20	30		CCEDRM
O=C([O-])N1CCCC(=NN[C@H]2CCS(=O)(=O)C2)CC1	ZINC000834097116	605990612	/nfs/dbraw/zinc/99/06/12/605990612.db2.gz	QLIYINOQQPCWOM-JTQLQIEISA-N	-1	0	289.357	0.283	20	30		CCEDRM
N#C[C@H](OC(=O)[C@H](CC(N)=O)NC(=O)[O-])C1CCCCC1	ZINC000833961624	606018955	/nfs/dbraw/zinc/01/89/55/606018955.db2.gz	SEHSHLBUWRWNIT-UWVGGRQHSA-N	-1	0	297.311	0.514	20	30		CCEDRM
C#CCCS(=O)(=O)[N-]C(=O)C1CC(OCC)C1	ZINC000810778971	613052697	/nfs/dbraw/zinc/05/26/97/613052697.db2.gz	SVKHPTAABXNYGT-UHFFFAOYSA-N	-1	0	259.327	0.271	20	30		CCEDRM
C#CCCS(=O)(=O)[N-]C(=O)[C@H]1CCO[C@@H](CC)C1	ZINC000810785141	613053301	/nfs/dbraw/zinc/05/33/01/613053301.db2.gz	YQVLBKQCSLJFMU-QWRGUYRKSA-N	-1	0	273.354	0.661	20	30		CCEDRM
C#CC[C@H](NC(=O)C[C@H]1CCOC[C@H]1OCC)C(=O)[O-]	ZINC000910048066	613068143	/nfs/dbraw/zinc/06/81/43/613068143.db2.gz	CWWHBSIKBBWUEJ-GRYCIOLGSA-N	-1	0	283.324	0.411	20	30		CCEDRM
C#CC[C@H](NC(=O)[C@@]12C[C@@H]1COC2(C)C)C(=O)[O-]	ZINC000910045825	613069302	/nfs/dbraw/zinc/06/93/02/613069302.db2.gz	HNUWIWIESXQMNW-VYUIOLGVSA-N	-1	0	251.282	0.394	20	30		CCEDRM
C#CC[C@H](NC(=O)c1cnn(C(F)F)c1)C(=O)[O-]	ZINC000910048116	613070553	/nfs/dbraw/zinc/07/05/53/613070553.db2.gz	DTKQSYISZVAYQU-ZETCQYMHSA-N	-1	0	257.196	0.485	20	30		CCEDRM
C#C[C@@H](C)NS(=O)(=O)c1ccc(OC)c(CC(=O)[O-])c1	ZINC000871951922	613082284	/nfs/dbraw/zinc/08/22/84/613082284.db2.gz	SDOPSJVLAWHEER-SECBINFHSA-N	-1	0	297.332	0.622	20	30		CCEDRM
CS(C)(=O)=NS(=O)(=O)[N-]CC1(C#N)CCCC1	ZINC000867457917	617197556	/nfs/dbraw/zinc/19/75/56/617197556.db2.gz	SXDRUCBZEFJSFX-UHFFFAOYSA-N	-1	0	279.387	0.632	20	30		CCEDRM
CS/C=C\C(=O)N1CCN(C(=O)[O-])C[C@H]1C#N	ZINC000829716186	617200621	/nfs/dbraw/zinc/20/06/21/617200621.db2.gz	DVRUNTNQQSBNFW-ZTHSNPKKSA-N	-1	0	255.299	0.577	20	30		CCEDRM
CC(C)OCC(=O)N1CCN(C(=O)[O-])C[C@H]1C#N	ZINC000824393036	614006366	/nfs/dbraw/zinc/00/63/66/614006366.db2.gz	FSEJAAAGHKOXEI-SECBINFHSA-N	-1	0	255.274	0.126	20	30		CCEDRM
CC(C)(CNN=Cc1c[nH]c(C(=O)[O-])c1)S(C)(=O)=O	ZINC000814906526	614112940	/nfs/dbraw/zinc/11/29/40/614112940.db2.gz	YQMKMDNDOFRRBF-UHFFFAOYSA-N	-1	0	287.341	0.460	20	30		CCEDRM
C#CCCCCC(=O)[N-]S(=O)(=O)c1cnn(C)c1C	ZINC000813950734	612975706	/nfs/dbraw/zinc/97/57/06/612975706.db2.gz	DJQRREDBHMRGFD-UHFFFAOYSA-N	-1	0	283.353	0.727	20	30		CCEDRM
C#CCCCCNC(=O)N1CC[C@H](NC(=O)[O-])C1	ZINC000823441127	612977760	/nfs/dbraw/zinc/97/77/60/612977760.db2.gz	UWXPUHIJSFPVSW-JTQLQIEISA-N	-1	0	253.302	0.841	20	30		CCEDRM
C#CCOCCC(=O)[N-]S(=O)(=O)C1(C=C)CC1	ZINC000870833939	612980006	/nfs/dbraw/zinc/98/00/06/612980006.db2.gz	KQOGPEUSJVSFPR-UHFFFAOYSA-N	-1	0	257.311	0.191	20	30		CCEDRM
C#CCOCCC(=O)N[C@@H](C(=O)[O-])c1ccccc1	ZINC000833364323	612980008	/nfs/dbraw/zinc/98/00/08/612980008.db2.gz	OMOXNQQXWPIRSN-CYBMUJFWSA-N	-1	0	261.277	0.968	20	30		CCEDRM
COc1ccc(S(=O)(=O)[N-]C(=O)CC2(C#N)CC2)cn1	ZINC000816046595	617277786	/nfs/dbraw/zinc/27/77/86/617277786.db2.gz	FLPUIJPIXAWRDW-UHFFFAOYSA-N	-1	0	295.320	0.589	20	30		CCEDRM
C[C@@H](C#N)CN(C)C(=O)CO[C@@H]1CCCN(C(=O)[O-])C1	ZINC000823647783	617295580	/nfs/dbraw/zinc/29/55/80/617295580.db2.gz	NTNNLQPWCVBYNC-WDEREUQCSA-N	-1	0	283.328	0.763	20	30		CCEDRM
COc1cccc(NC(=O)CCN(CC#N)CC(=O)[O-])c1	ZINC000832561616	617303561	/nfs/dbraw/zinc/30/35/61/617303561.db2.gz	BFWIOJLXRUQPRE-UHFFFAOYSA-N	-1	0	291.307	0.934	20	30		CCEDRM
C[C@@H](C(=O)N1CCN(C(=O)[O-])C[C@H]1C#N)n1cccn1	ZINC000823669630	617304469	/nfs/dbraw/zinc/30/44/69/617304469.db2.gz	ONGDHFGZLJLJOC-VHSXEESVSA-N	-1	0	277.284	0.158	20	30		CCEDRM
COc1cccc(O)c1C=Nn1c(=O)[n-][nH]c1=O	ZINC000814232992	617304856	/nfs/dbraw/zinc/30/48/56/617304856.db2.gz	WIUWTXIRILFCDQ-UHFFFAOYSA-N	-1	0	250.214	0.286	20	30		CCEDRM
C#CCC(C)(C)C(=O)[N-]S(=O)(=O)c1ccc(OC)nc1	ZINC000810719453	612965998	/nfs/dbraw/zinc/96/59/98/612965998.db2.gz	LFSDWILZPJJBTQ-UHFFFAOYSA-N	-1	0	296.348	0.945	20	30		CCEDRM
C#CCCCCC(=O)N[C@@H](COCC=C)C(=O)[O-]	ZINC000909772493	612975658	/nfs/dbraw/zinc/97/56/58/612975658.db2.gz	ZVPGPJYKTUWFNT-NSHDSACASA-N	-1	0	253.298	0.952	20	30		CCEDRM
C#CCCCCC(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)[O-]	ZINC000910285631	612975791	/nfs/dbraw/zinc/97/57/91/612975791.db2.gz	TZCSGJBNDWEBNQ-UWVGGRQHSA-N	-1	0	268.313	0.274	20	30		CCEDRM
C#CCCCCNC(=O)C(=O)NC[C@H](C(=O)[O-])C(C)C	ZINC000848609424	612977140	/nfs/dbraw/zinc/97/71/40/612977140.db2.gz	DSYGFFUNUPRNLE-NSHDSACASA-N	-1	0	282.340	0.379	20	30		CCEDRM
C#CCOCCC(=O)N1C[C@H](C(=O)[O-])Oc2ccccc21	ZINC000833364430	612978852	/nfs/dbraw/zinc/97/88/52/612978852.db2.gz	QRHGUZNDAIEOQD-CYBMUJFWSA-N	-1	0	289.287	0.905	20	30		CCEDRM
C#CCOCCC(=O)N[C@@H](C(=O)[O-])c1ccccn1	ZINC000833363818	612980128	/nfs/dbraw/zinc/98/01/28/612980128.db2.gz	AMPXVEANPIJSFM-GFCCVEGCSA-N	-1	0	262.265	0.363	20	30		CCEDRM
C#CCOCCC(=O)OCC(=O)c1cc(C(=O)[O-])co1	ZINC000833366295	612981420	/nfs/dbraw/zinc/98/14/20/612981420.db2.gz	QBYSXXHTQOBXKH-UHFFFAOYSA-N	-1	0	280.232	0.744	20	30		CCEDRM
C#CCCCNC(=O)c1cc(S(N)(=O)=O)ccc1[O-]	ZINC000828992218	612982656	/nfs/dbraw/zinc/98/26/56/612982656.db2.gz	XMPYTDHSUAFXQC-UHFFFAOYSA-N	-1	0	282.321	0.183	20	30		CCEDRM
C#CCOCCNC(=O)N1CCC[C@H](CC(=O)[O-])C1	ZINC000819705736	612986049	/nfs/dbraw/zinc/98/60/49/612986049.db2.gz	CMIWWAUJYVNWMW-LLVKDONJSA-N	-1	0	268.313	0.533	20	30		CCEDRM
C#CCOCCOC(=O)c1cccc(OCC(=O)[O-])c1	ZINC000825625933	612990999	/nfs/dbraw/zinc/99/09/99/612990999.db2.gz	QEHXBKVGIINQFT-UHFFFAOYSA-N	-1	0	278.260	0.957	20	30		CCEDRM
C#CCO[N-]C(=O)C(=O)c1cnn(-c2ccccc2)c1	ZINC000812781124	612991850	/nfs/dbraw/zinc/99/18/50/612991850.db2.gz	GMWGJGZKGLZZOY-UHFFFAOYSA-N	-1	0	269.260	0.736	20	30		CCEDRM
C#CCO[N-]C(=O)Cn1c(=O)cnc2ccccc21	ZINC000812786781	612992323	/nfs/dbraw/zinc/99/23/23/612992323.db2.gz	VKAXXHQRIVQNLI-UHFFFAOYSA-N	-1	0	257.249	0.078	20	30		CCEDRM
C#CCO[N-]C(=O)[C@@]1(c2ccc(OC)cc2)C[C@H](O)C1	ZINC000912449867	612992787	/nfs/dbraw/zinc/99/27/87/612992787.db2.gz	DJBUJUJUIZGPTM-NNUKFRKNSA-N	-1	0	275.304	0.769	20	30		CCEDRM
C#CCO[N-]C(=O)[C@H](C)N1C(=O)[C@H]2CCCC[C@@H]2C1=O	ZINC000812784982	612992861	/nfs/dbraw/zinc/99/28/61/612992861.db2.gz	BQLGVGVVZNXQRA-DCAQKATOSA-N	-1	0	278.308	0.231	20	30		CCEDRM
C#CCO[C@@H](C)C(=O)N1Cc2cc(C(=O)[O-])nn2C[C@@H]1C	ZINC000908441055	612995474	/nfs/dbraw/zinc/99/54/74/612995474.db2.gz	YHWMZNJHBHDOTP-UWVGGRQHSA-N	-1	0	291.307	0.350	20	30		CCEDRM
C#CCO[C@@H](C)C(=O)N[C@H](c1nc(=O)o[n-]1)C(C)(C)C	ZINC000911586276	612997470	/nfs/dbraw/zinc/99/74/70/612997470.db2.gz	AIKJGYLBWQWXNN-DTWKUNHWSA-N	-1	0	281.312	0.605	20	30		CCEDRM
C#CCO[C@H](C)C(=O)N1C[C@@H](C(=O)[O-])[C@H](C2CC2)C1	ZINC000909902665	613000467	/nfs/dbraw/zinc/00/04/67/613000467.db2.gz	JFWFPKZFQJFZAP-ADEWGFFLSA-N	-1	0	265.309	0.594	20	30		CCEDRM
C#CCO[C@H](C)C(=O)[N-]S(=O)(=O)Cc1ccc(F)cc1	ZINC000835037279	613002061	/nfs/dbraw/zinc/00/20/61/613002061.db2.gz	UNGZPMQLJORBHV-SNVBAGLBSA-N	-1	0	299.323	0.810	20	30		CCEDRM
C#CCOc1ccc(C=Nn2c(=O)[n-][nH]c2=O)cc1	ZINC000814233462	613005839	/nfs/dbraw/zinc/00/58/39/613005839.db2.gz	QVQXQBMHUUMJQJ-UHFFFAOYSA-N	-1	0	258.237	0.584	20	30		CCEDRM
C#CCCN1CCN([C@H](C(=O)[O-])c2cccnc2)CC1	ZINC000833362265	613012055	/nfs/dbraw/zinc/01/20/55/613012055.db2.gz	ISQRIMABGHLAHS-AWEZNQCLSA-N	-1	0	273.336	0.848	20	30		CCEDRM
C#CC[C@@H](CO)NC(=O)c1c(C)nc(C(C)(C)C)[nH]c1=O	ZINC000820065404	613028634	/nfs/dbraw/zinc/02/86/34/613028634.db2.gz	ZNWZUAMTRYHUBQ-JTQLQIEISA-N	-1	0	291.351	0.902	20	30		CCEDRM
C#CC[C@@H](CO)NC(=O)c1cccc([N+](=O)[O-])c1[O-]	ZINC000816674140	613029339	/nfs/dbraw/zinc/02/93/39/613029339.db2.gz	RSMSBPNXZCANKT-QMMMGPOBSA-N	-1	0	264.237	0.414	20	30		CCEDRM
C#CC[C@@H](NC(=O)CCCC(=O)NCCC)C(=O)[O-]	ZINC000910053978	613039903	/nfs/dbraw/zinc/03/99/03/613039903.db2.gz	GIICSMSHKVDUHC-SNVBAGLBSA-N	-1	0	268.313	0.276	20	30		CCEDRM
C#CC[C@@H](NC(=O)Cn1c(C)nc2ccccc21)C(=O)[O-]	ZINC000910049041	613040253	/nfs/dbraw/zinc/04/02/53/613040253.db2.gz	RQGPAXDPZNGYNA-GFCCVEGCSA-N	-1	0	285.303	0.937	20	30		CCEDRM
C#CC[C@@H](NC(=O)[C@@H]1CSCCS1)C(=O)[O-]	ZINC000910051990	613040708	/nfs/dbraw/zinc/04/07/08/613040708.db2.gz	KOVXIZZHZQGUBH-SFYZADRCSA-N	-1	0	259.352	0.428	20	30		CCEDRM
C#CC[C@@H](NC(=O)c1ccnc(OCCOC)c1)C(=O)[O-]	ZINC000910045519	613041918	/nfs/dbraw/zinc/04/19/18/613041918.db2.gz	FEKGRTBEKAZGTA-LLVKDONJSA-N	-1	0	292.291	0.313	20	30		CCEDRM
C#CC[C@@H](NC(=O)c1coc(CCC)n1)C(=O)[O-]	ZINC000910050521	613042503	/nfs/dbraw/zinc/04/25/03/613042503.db2.gz	KFMIONZFGRXWAM-MRVPVSSYSA-N	-1	0	250.254	0.833	20	30		CCEDRM
C#CCCS(=O)(=O)[N-]C(=O)CC[C@H]1CCCCO1	ZINC000788070752	613052730	/nfs/dbraw/zinc/05/27/30/613052730.db2.gz	KTAMLBQFWGAJFN-LLVKDONJSA-N	-1	0	273.354	0.805	20	30		CCEDRM
C#CCCS(=O)(=O)[N-]C(=O)COc1cccc(OC)c1	ZINC000810781747	613053037	/nfs/dbraw/zinc/05/30/37/613053037.db2.gz	CKPPWDLUXSEQKL-UHFFFAOYSA-N	-1	0	297.332	0.543	20	30		CCEDRM
C#CCCS(=O)(=O)[N-]C(=O)c1cccc(CC#N)c1	ZINC000798202903	613053569	/nfs/dbraw/zinc/05/35/69/613053569.db2.gz	OBEMUYSDDGQQLB-UHFFFAOYSA-N	-1	0	276.317	0.836	20	30		CCEDRM
C#CCCS(=O)(=O)[N-]C(=O)c1cc(OC)ccn1	ZINC000842781029	613053621	/nfs/dbraw/zinc/05/36/21/613053621.db2.gz	WHNNPEIKWGLQRT-UHFFFAOYSA-N	-1	0	268.294	0.173	20	30		CCEDRM
C#CCCS(=O)(=O)[N-]C(=O)c1cn2c(n1)C[C@@H](C)CC2	ZINC000870332478	613053809	/nfs/dbraw/zinc/05/38/09/613053809.db2.gz	WUUAVDSJMQJQOA-JTQLQIEISA-N	-1	0	295.364	0.548	20	30		CCEDRM
C#CCCS(=O)(=O)[N-]C(=O)c1cnn(CC2CC2)c1	ZINC000870331784	613053838	/nfs/dbraw/zinc/05/38/38/613053838.db2.gz	PZARFEULEGXZCP-UHFFFAOYSA-N	-1	0	281.337	0.376	20	30		CCEDRM
C#CCCS(=O)(=O)[N-]C(=O)c1cnc2n1[C@@H](C)CCC2	ZINC000845543862	613053898	/nfs/dbraw/zinc/05/38/98/613053898.db2.gz	FLQBIRQQERHBAX-JTQLQIEISA-N	-1	0	295.364	0.863	20	30		CCEDRM
C#CC[C@H](NC(=O)CC[C@H]1CC[C@@H](C)O1)C(=O)[O-]	ZINC000910053937	613067666	/nfs/dbraw/zinc/06/76/66/613067666.db2.gz	FJGOFGBWEUBCGY-MXWKQRLJSA-N	-1	0	253.298	0.927	20	30		CCEDRM
C#CC[C@H](NC(=O)C[C@@H](C)[C@H]1CCCO1)C(=O)[O-]	ZINC000910046416	613068004	/nfs/dbraw/zinc/06/80/04/613068004.db2.gz	ONYMIGDUEOUDCK-OUAUKWLOSA-N	-1	0	253.298	0.784	20	30		CCEDRM
C#CC[C@H](NC(=O)[C@@H]1Cc2cc(F)ccc2O1)C(=O)[O-]	ZINC000910055139	613068974	/nfs/dbraw/zinc/06/89/74/613068974.db2.gz	YGGMGCVVLYSMTN-JQWIXIFHSA-N	-1	0	277.251	0.722	20	30		CCEDRM
C#CC[C@H](NC(=O)c1cn(C)nc1C(C)(C)C)C(=O)[O-]	ZINC000910050101	613070335	/nfs/dbraw/zinc/07/03/35/613070335.db2.gz	FKBPPBZBIXSQSC-JTQLQIEISA-N	-1	0	277.324	0.924	20	30		CCEDRM
C#CC[C@H](NC(=O)c1cccnc1N(C)C)C(=O)[O-]	ZINC000910051962	613070357	/nfs/dbraw/zinc/07/03/57/613070357.db2.gz	KCBPKSUMYALBSE-JTQLQIEISA-N	-1	0	261.281	0.354	20	30		CCEDRM
C#CC[C@H](NC(=O)c1nn(C)c(C)c1Cl)C(=O)[O-]	ZINC000910046142	613070865	/nfs/dbraw/zinc/07/08/65/613070865.db2.gz	MBCCKHKQSPLQER-ZETCQYMHSA-N	-1	0	269.688	0.588	20	30		CCEDRM
C#C[C@@H](C)OC(=O)CN(C[C@@H]1CCCO1)C(=O)[O-]	ZINC000823441046	613082578	/nfs/dbraw/zinc/08/25/78/613082578.db2.gz	QYRFARDIKGVHMN-ZJUUUORDSA-N	-1	0	255.270	0.710	20	30		CCEDRM
C#C[C@@H](NC(=O)C12CC(C(=O)[O-])(C1)C2)[C@H]1CCCO1	ZINC000911580930	613091722	/nfs/dbraw/zinc/09/17/22/613091722.db2.gz	VFBBMMLQIFQWKA-UZXYAUHMSA-N	-1	0	263.293	0.538	20	30		CCEDRM
C#CCN(CC#CC)C(=O)[C@H](CC(F)F)NC(=O)[O-]	ZINC000833787133	613100190	/nfs/dbraw/zinc/10/01/90/613100190.db2.gz	GURMUKZQNSPLAV-VIFPVBQESA-N	-1	0	272.251	0.763	20	30		CCEDRM
C#C[C@@H]1COCCN1C(=O)NCc1ccccc1C(=O)[O-]	ZINC000874410666	613109912	/nfs/dbraw/zinc/10/99/12/613109912.db2.gz	BGIMAIOFRPTSDG-GFCCVEGCSA-N	-1	0	288.303	0.928	20	30		CCEDRM
C#C[C@H](C)NS(=O)(=O)c1c[nH]nc1C(F)(F)F	ZINC000820796127	613118876	/nfs/dbraw/zinc/11/88/76/613118876.db2.gz	AOCDOKFVMVMRAW-YFKPBYRVSA-N	-1	0	267.232	0.729	20	30		CCEDRM
C#C[C@H](NC(=O)Cn1cc(C(=O)[O-])cn1)C1CCOCC1	ZINC000911791510	613134184	/nfs/dbraw/zinc/13/41/84/613134184.db2.gz	OAKVAEBDUWRGKZ-LBPRGKRZSA-N	-1	0	291.307	0.126	20	30		CCEDRM
C#C[C@H](NC(=O)NC[C@@H](C(=O)[O-])C1CCC1)[C@@H]1CCCO1	ZINC000854233802	613140220	/nfs/dbraw/zinc/14/02/20/613140220.db2.gz	MHMHRSSNUKTYEV-AGIUHOORSA-N	-1	0	294.351	0.967	20	30		CCEDRM
C#C[C@H](NC(=O)c1cc(C(=O)[O-])co1)[C@@H]1CCCO1	ZINC000911577939	613148486	/nfs/dbraw/zinc/14/84/86/613148486.db2.gz	GDBXITAZIDDDKX-UWVGGRQHSA-N	-1	0	263.249	0.888	20	30		CCEDRM
C/C=C(\C)C(=O)[N-]S(=O)(=O)c1cncc(C#N)c1	ZINC000813980502	613174908	/nfs/dbraw/zinc/17/49/08/613174908.db2.gz	BSMIHTBPDNYYAT-FPYGCLRLSA-N	-1	0	265.294	0.724	20	30		CCEDRM
C#Cc1ccc(C(=O)NCC(C)(C)NC(=O)[O-])cn1	ZINC000823467547	613177762	/nfs/dbraw/zinc/17/77/62/613177762.db2.gz	ZSLPFXOACKKTBW-UHFFFAOYSA-N	-1	0	261.281	0.839	20	30		CCEDRM
C#CCN1CCC[C@H]1C(=O)N[C@@H](CC(F)F)C(=O)[O-]	ZINC000833364018	613200941	/nfs/dbraw/zinc/20/09/41/613200941.db2.gz	CTBASEZISQXHSF-IUCAKERBSA-N	-1	0	274.267	0.309	20	30		CCEDRM
C#Cc1ccccc1CC(=O)[N-]S(=O)(=O)N(C)CC	ZINC000810597472	613207017	/nfs/dbraw/zinc/20/70/17/613207017.db2.gz	AXHURTKYRRTIJU-UHFFFAOYSA-N	-1	0	280.349	0.523	20	30		CCEDRM
C#Cc1ccccc1CC(=O)OCc1n[nH]c(=O)[n-]1	ZINC000811257508	613208153	/nfs/dbraw/zinc/20/81/53/613208153.db2.gz	LZVRJJHVSSMYQI-UHFFFAOYSA-N	-1	0	257.249	0.778	20	30		CCEDRM
COc1ccnc(C([O-])=C(C#N)C(=O)NC2CC2)c1	ZINC000842685850	617324924	/nfs/dbraw/zinc/32/49/24/617324924.db2.gz	XTQMJFWSTSRWDY-SNVBAGLBSA-N	-1	0	259.265	0.691	20	30		CCEDRM
C#CCNC(=O)C1CCN(C(=O)[C@@H](C)CC(=O)[O-])CC1	ZINC000825618347	613322878	/nfs/dbraw/zinc/32/28/78/613322878.db2.gz	AQFPVZRATWFRPB-JTQLQIEISA-N	-1	0	280.324	0.085	20	30		CCEDRM
C=C(C)CO[N-]C(=O)C(=O)Nc1cccn(CC)c1=O	ZINC000846145827	613352339	/nfs/dbraw/zinc/35/23/39/613352339.db2.gz	CJLIHCYWVKQYCX-UHFFFAOYSA-N	-1	0	279.296	0.431	20	30		CCEDRM
C=C(C)CO[N-]C(=O)C(=O)Nc1ccnc(OCCO)c1	ZINC000850475979	613352341	/nfs/dbraw/zinc/35/23/41/613352341.db2.gz	GXWYNGWKUXCPOQ-UHFFFAOYSA-N	-1	0	295.295	0.015	20	30		CCEDRM
C=C(C)CO[N-]C(=O)C(=O)Nc1ccnn1CCC	ZINC000846146230	613352344	/nfs/dbraw/zinc/35/23/44/613352344.db2.gz	LNGVPHISULZAHA-UHFFFAOYSA-N	-1	0	266.301	0.856	20	30		CCEDRM
C=C(C)CO[N-]C(=O)C(=O)Nc1ccnc(OC)n1	ZINC000846146754	613352428	/nfs/dbraw/zinc/35/24/28/613352428.db2.gz	KWVCLVSFEWGTNX-UHFFFAOYSA-N	-1	0	266.257	0.048	20	30		CCEDRM
C=C(C)CO[N-]C(=O)CNC(=O)NCc1ccco1	ZINC000846540051	613352434	/nfs/dbraw/zinc/35/24/34/613352434.db2.gz	SRWGMFWLHGHLSJ-UHFFFAOYSA-N	-1	0	267.285	0.703	20	30		CCEDRM
C=C(C)CO[N-]C(=O)CSc1nnnn1C1CC1	ZINC000846537472	613352459	/nfs/dbraw/zinc/35/24/59/613352459.db2.gz	KESHQVAYNQUWBK-UHFFFAOYSA-N	-1	0	269.330	0.724	20	30		CCEDRM
C=C(C)CO[N-]C(=O)[C@H](OC)C(=O)OC(C)(C)C	ZINC000869152448	613353783	/nfs/dbraw/zinc/35/37/83/613353783.db2.gz	CKWMXNIIPHORGD-VIFPVBQESA-N	-1	0	259.302	0.967	20	30		CCEDRM
C=C(C)CO[N-]C(=O)[C@]12CCC(=O)N1CCS2	ZINC000846538145	613353925	/nfs/dbraw/zinc/35/39/25/613353925.db2.gz	QUQKJQZDHFQKFB-LLVKDONJSA-N	-1	0	256.327	0.676	20	30		CCEDRM
C=C(C)CS(=O)(=O)N1CCC(F)(F)[C@H](C(=O)[O-])C1	ZINC000844800597	613354020	/nfs/dbraw/zinc/35/40/20/613354020.db2.gz	LGLMHHMHCXGIML-QMMMGPOBSA-N	-1	0	283.296	0.934	20	30		CCEDRM
C=C(C)C[C@@H](NC(=O)Cc1cn(CC)nn1)C(=O)[O-]	ZINC000907742686	613355850	/nfs/dbraw/zinc/35/58/50/613355850.db2.gz	ASZUAQQWIPDHBJ-SNVBAGLBSA-N	-1	0	266.301	0.376	20	30		CCEDRM
C=C(C)C[C@@H](NC(=O)NOC[C@@H]1CCOC1)C(=O)[O-]	ZINC000909250198	613355925	/nfs/dbraw/zinc/35/59/25/613355925.db2.gz	ATHUNHQUYYXYIR-NXEZZACHSA-N	-1	0	272.301	0.673	20	30		CCEDRM
C=C(C)C[C@@H](NC(=O)c1cncc(O)c1)C(=O)[O-]	ZINC000910286682	613356234	/nfs/dbraw/zinc/35/62/34/613356234.db2.gz	KOGJSGVMTXIQHO-SNVBAGLBSA-N	-1	0	250.254	0.936	20	30		CCEDRM
C=C(C)C[C@@H](NC(=O)c1cnc2n1CCOC2)C(=O)[O-]	ZINC000910292321	613356241	/nfs/dbraw/zinc/35/62/41/613356241.db2.gz	OTELMSIOIVPKKQ-SECBINFHSA-N	-1	0	279.296	0.563	20	30		CCEDRM
C=C(C)C[C@H](C)C(=O)[N-]S(=O)(=O)Cc1cnn(C)c1	ZINC000847848719	613356978	/nfs/dbraw/zinc/35/69/78/613356978.db2.gz	LSEILSDLQCTECO-JTQLQIEISA-N	-1	0	285.369	0.968	20	30		CCEDRM
C=C(C)C[C@H](NC(=O)NCc1cn(C)cn1)C(=O)[O-]	ZINC000900309067	613358822	/nfs/dbraw/zinc/35/88/22/613358822.db2.gz	USSUMONIUWKDIC-JTQLQIEISA-N	-1	0	266.301	0.639	20	30		CCEDRM
C=C(C)C[C@H](NC(=O)c1cnc(N(C)C)cn1)C(=O)[O-]	ZINC000910293763	613359141	/nfs/dbraw/zinc/35/91/41/613359141.db2.gz	LZFDIAPAKUHKOL-VIFPVBQESA-N	-1	0	278.312	0.692	20	30		CCEDRM
C=C(C)C[C@H](NS(=O)(=O)CC(C)(C)OC)C(=O)[O-]	ZINC000864451391	613359859	/nfs/dbraw/zinc/35/98/59/613359859.db2.gz	GHLPSBGARRYISQ-VIFPVBQESA-N	-1	0	279.358	0.750	20	30		CCEDRM
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CC[C@H](C(=O)[O-])C1	ZINC000901443044	613361214	/nfs/dbraw/zinc/36/12/14/613361214.db2.gz	VVJKRBGZPVDKBQ-DCAQKATOSA-N	-1	0	253.298	0.901	20	30		CCEDRM
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@H]1C[C@@H](C(=O)[O-])C1	ZINC000902443106	613361624	/nfs/dbraw/zinc/36/16/24/613361624.db2.gz	BVGRCHJFZWJCGK-VLEAKVRGSA-N	-1	0	253.298	0.947	20	30		CCEDRM
C=C(C)[C@@H]1OCC[C@H]1CNC(=O)NCC(=O)[N-]OCC	ZINC000845536348	613361988	/nfs/dbraw/zinc/36/19/88/613361988.db2.gz	VVRFJGRRRYFKFU-JQWIXIFHSA-N	-1	0	285.344	0.335	20	30		CCEDRM
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C=C(Cl)C[C@H](NC(=O)CS(=O)(=O)CC)C(=O)[O-]	ZINC000864183114	613390672	/nfs/dbraw/zinc/39/06/72/613390672.db2.gz	HNEAEXFPVFILHH-ZETCQYMHSA-N	-1	0	283.733	0.133	20	30		CCEDRM
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C=CC1(S(=O)(=O)[N-]C(=O)c2cc[n+]([O-])cc2)CC1	ZINC000870836252	613451971	/nfs/dbraw/zinc/45/19/71/613451971.db2.gz	VCEZYJRWTMQOEW-UHFFFAOYSA-N	-1	0	268.294	0.098	20	30		CCEDRM
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C=CCC(CC=C)C(=O)N1CC[C@@](O)(C(=O)[O-])C1	ZINC000910529504	613453238	/nfs/dbraw/zinc/45/32/38/613453238.db2.gz	OQGYIUJQKURGCL-ZDUSSCGKSA-N	-1	0	253.298	0.803	20	30		CCEDRM
C=CCC1(C(=O)[O-])CN(S(=O)(=O)CC(=C)C)C1	ZINC000906006703	613457117	/nfs/dbraw/zinc/45/71/17/613457117.db2.gz	FQDIOIXAUJTYFW-UHFFFAOYSA-N	-1	0	259.327	0.855	20	30		CCEDRM
C=CCC1(S(=O)(=O)[N-]C(=O)[C@H]2C[C@@H]2OCC)CC1	ZINC000810986455	613461469	/nfs/dbraw/zinc/46/14/69/613461469.db2.gz	AGKATFIZNUDXLQ-UWVGGRQHSA-N	-1	0	273.354	0.966	20	30		CCEDRM
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C=C[C@@H]1OCC[C@H]1C(=O)[N-]S(=O)(=O)CCCC	ZINC000835034392	613465677	/nfs/dbraw/zinc/46/56/77/613465677.db2.gz	VQTZMDVFDRWJCM-ZJUUUORDSA-N	-1	0	261.343	0.824	20	30		CCEDRM
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C=CCCC[C@@H](NC(=O)N[C@H]1CCOC1)C(=O)[O-]	ZINC000905527960	613470701	/nfs/dbraw/zinc/47/07/01/613470701.db2.gz	AWWUDDVNKAJIQV-VHSXEESVSA-N	-1	0	256.302	0.884	20	30		CCEDRM
C=CCCC[C@@H](NC(=O)[C@@](C)(O)COC)C(=O)[O-]	ZINC000910917654	613471090	/nfs/dbraw/zinc/47/10/90/613471090.db2.gz	SWCTWIHKBRBNAJ-SKDRFNHKSA-N	-1	0	259.302	0.310	20	30		CCEDRM
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C=C[C@@](C)(CCOC)C(=O)N1CCO[C@H](CC(=O)[O-])C1	ZINC000909270871	613476521	/nfs/dbraw/zinc/47/65/21/613476521.db2.gz	ZINYWJLQFNUCCL-RISCZKNCSA-N	-1	0	285.340	0.917	20	30		CCEDRM
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CC#CCCNC(=O)CC[C@@H]1C[C@H](C(=O)[O-])CO1	ZINC000911409511	613521523	/nfs/dbraw/zinc/52/15/23/613521523.db2.gz	WDWWZCHXUKAKAC-WDEREUQCSA-N	-1	0	253.298	0.786	20	30		CCEDRM
C=CCCOCC(=O)NC[C@H]1CCO[C@H]1C(=O)[O-]	ZINC000864214288	613572332	/nfs/dbraw/zinc/57/23/32/613572332.db2.gz	MWKFFLAOWDHCBM-MWLCHTKSSA-N	-1	0	257.286	0.185	20	30		CCEDRM
C=CCCO[C@@H](C)C(=O)N1CC([C@H](F)C(=O)[O-])C1	ZINC000910135594	613577684	/nfs/dbraw/zinc/57/76/84/613577684.db2.gz	VLLDLUCTNQVTGY-WPRPVWTQSA-N	-1	0	259.277	0.849	20	30		CCEDRM
C=CCCO[C@H](C)C(=O)N1C[C@H]2[C@H](C(=O)[O-])[C@H]2C1	ZINC000910792084	613578909	/nfs/dbraw/zinc/57/89/09/613578909.db2.gz	HNKNVCJBNLPNSR-ZNSHCXBVSA-N	-1	0	253.298	0.757	20	30		CCEDRM
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C=CCC[C@H](NC(=O)Cc1cc(C)[nH]n1)C(=O)[O-]	ZINC000909713410	613589470	/nfs/dbraw/zinc/58/94/70/613589470.db2.gz	PSPOMKVUBJGWPY-JTQLQIEISA-N	-1	0	251.286	0.796	20	30		CCEDRM
C=CCC[C@H](NC(=O)[C@@H]1CCn2cncc2C1)C(=O)[O-]	ZINC000909714742	613589879	/nfs/dbraw/zinc/58/98/79/613589879.db2.gz	IAPCBPPJLBHJGJ-PWSUYJOCSA-N	-1	0	277.324	0.981	20	30		CCEDRM
C=CCC[C@H](O)CN1CC[C@@H](C(=O)[O-])C[C@@H]1C(=O)OC	ZINC000833373448	613591213	/nfs/dbraw/zinc/59/12/13/613591213.db2.gz	PQFSNNYHWKHJGJ-GRYCIOLGSA-N	-1	0	285.340	0.652	20	30		CCEDRM
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C=CCN(CC(=O)[O-])C(=O)NCc1nnn(C(C)(C)C)n1	ZINC000846792931	613642684	/nfs/dbraw/zinc/64/26/84/613642684.db2.gz	MKCYNDFELCEVIQ-UHFFFAOYSA-N	-1	0	296.331	0.210	20	30		CCEDRM
C=CCN(CC(=O)[O-])C(=O)NCCOC[C@H]1CCOC1	ZINC000908946112	613642705	/nfs/dbraw/zinc/64/27/05/613642705.db2.gz	JEJLKQIJASCOON-NSHDSACASA-N	-1	0	286.328	0.322	20	30		CCEDRM
C=CCN(CC(=O)[O-])C(=O)C[C@@H]1CCOC[C@@H]1OCC	ZINC000864136347	613642785	/nfs/dbraw/zinc/64/27/85/613642785.db2.gz	XKMNZJHATQQHGI-RYUDHWBXSA-N	-1	0	285.340	0.917	20	30		CCEDRM
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CC#CCS(=O)(=O)[N-]C(=O)COc1ccccc1C	ZINC000810774414	613645864	/nfs/dbraw/zinc/64/58/64/613645864.db2.gz	YTLIPOHFGZQKOP-UHFFFAOYSA-N	-1	0	281.333	0.843	20	30		CCEDRM
CC#CCS(=O)(=O)[N-]C(=O)CCOCC(F)(F)F	ZINC000810777440	613645919	/nfs/dbraw/zinc/64/59/19/613645919.db2.gz	CDSRIVWBHBXFJM-UHFFFAOYSA-N	-1	0	287.259	0.425	20	30		CCEDRM
CC#CCS(=O)(=O)[N-]C(=O)[C@H]1CCCc2nn(C)cc21	ZINC000810775051	613647132	/nfs/dbraw/zinc/64/71/32/613647132.db2.gz	XEFORNWKODMVPH-JTQLQIEISA-N	-1	0	295.364	0.309	20	30		CCEDRM
CC#CCS(=O)(=O)[N-]C(=O)c1c(C2CC2)cnn1C	ZINC000850999682	613647612	/nfs/dbraw/zinc/64/76/12/613647612.db2.gz	JACDTDHQEQMOCO-UHFFFAOYSA-N	-1	0	281.337	0.380	20	30		CCEDRM
CC#CCS(=O)(=O)[N-]C(=O)c1ccc(C=NOC)cc1	ZINC000810774568	613647615	/nfs/dbraw/zinc/64/76/15/613647615.db2.gz	KHIDWHKHEZMINY-UHFFFAOYSA-N	-1	0	294.332	0.750	20	30		CCEDRM
CC#CCS(=O)(=O)[N-]C(=O)c1c(C)nn(C)c1C	ZINC000810772969	613647647	/nfs/dbraw/zinc/64/76/47/613647647.db2.gz	MFXLPSBYDWMOCR-UHFFFAOYSA-N	-1	0	269.326	0.120	20	30		CCEDRM
CC#CCS(=O)(=O)[N-]C(=O)c1ccc2c(c1)CCOC2	ZINC000850999861	613647839	/nfs/dbraw/zinc/64/78/39/613647839.db2.gz	LOXBESSSPDTXTH-UHFFFAOYSA-N	-1	0	293.344	0.842	20	30		CCEDRM
CC#CCS(=O)(=O)[N-]C(=O)c1nc(C2CC2)oc1C	ZINC000810769672	613647987	/nfs/dbraw/zinc/64/79/87/613647987.db2.gz	CECOKOKIZIRUAN-UHFFFAOYSA-N	-1	0	282.321	0.943	20	30		CCEDRM
C=CCN(CN1C[C@@H](NC(=O)[O-])CC1=O)C1CC1	ZINC000833788209	613651251	/nfs/dbraw/zinc/65/12/51/613651251.db2.gz	QPGIAIMFSLKRDE-VIFPVBQESA-N	-1	0	253.302	0.463	20	30		CCEDRM
CC(=NNCC(=O)[O-])c1cccc(N2CCC2=O)c1	ZINC000814958285	613654442	/nfs/dbraw/zinc/65/44/42/613654442.db2.gz	JLZLXGGQAXIKGE-UHFFFAOYSA-N	-1	0	261.281	0.822	20	30		CCEDRM
CC(=NNc1nc(C)cc(=O)[nH]1)c1cn(CC(=O)[O-])nn1	ZINC000825809546	613657635	/nfs/dbraw/zinc/65/76/35/613657635.db2.gz	ZBJGYZLEUAVHCY-UHFFFAOYSA-N	-1	0	291.271	0.003	20	30		CCEDRM
CC(=O)N(C)CC(=O)OCc1cccc(C(=O)[O-])c1C#N	ZINC000833388171	613701693	/nfs/dbraw/zinc/70/16/93/613701693.db2.gz	KILOFDMYJGJNLW-UHFFFAOYSA-N	-1	0	290.275	0.778	20	30		CCEDRM
C=CCNC(=O)COC(=O)[C@@H](C)CN(C)C(=O)[O-]	ZINC000823506868	613847771	/nfs/dbraw/zinc/84/77/71/613847771.db2.gz	OQIBMJMRJWRRGS-QMMMGPOBSA-N	-1	0	258.274	0.078	20	30		CCEDRM
C=CCNC(=O)NC(=O)[C@@H](C)N1CC[C@H](N(C)C(=O)[O-])C1	ZINC000823506934	613851131	/nfs/dbraw/zinc/85/11/31/613851131.db2.gz	PIZFAUWLUUNHMV-ZJUUUORDSA-N	-1	0	298.343	0.071	20	30		CCEDRM
C=CCNC(=O)C(C#N)=C([O-])c1cc(C(=O)OC)oc1C	ZINC000850758758	613852901	/nfs/dbraw/zinc/85/29/01/613852901.db2.gz	DGIBRDWUQUKDMW-JTQLQIEISA-N	-1	0	290.275	0.999	20	30		CCEDRM
C=CCOCC(=O)N1CC[C@@H](NC(=O)[O-])C[C@H]1C	ZINC000823516297	613879209	/nfs/dbraw/zinc/87/92/09/613879209.db2.gz	FPVSJBSXELNYAD-NXEZZACHSA-N	-1	0	256.302	0.836	20	30		CCEDRM
C=CCOCC(=O)[N-]S(=O)(=O)c1csnc1Cl	ZINC000861395314	613879421	/nfs/dbraw/zinc/87/94/21/613879421.db2.gz	GXCQEEKLILDEST-UHFFFAOYSA-N	-1	0	296.757	0.804	20	30		CCEDRM
C=CCOCCCC(=O)N1C[C@H]2[C@H](C(=O)[O-])[C@H]2C1	ZINC000910793150	613879807	/nfs/dbraw/zinc/87/98/07/613879807.db2.gz	GGSWZXQMDZJNQY-IAZYJMLFSA-N	-1	0	253.298	0.758	20	30		CCEDRM
C=CCOCCNC(=O)N1CCC([C@@H](O)C(=O)[O-])CC1	ZINC000833375969	613880618	/nfs/dbraw/zinc/88/06/18/613880618.db2.gz	PRUULBASSZHESC-LLVKDONJSA-N	-1	0	286.328	0.056	20	30		CCEDRM
C=CCOCCNC(=O)N[C@H]1CCCN(C(=O)[O-])C1	ZINC000833376238	613881008	/nfs/dbraw/zinc/88/10/08/613881008.db2.gz	ZGWVNSDCHKMHIC-JTQLQIEISA-N	-1	0	271.317	0.631	20	30		CCEDRM
C=CCOCCSc1nc(O)cc(=O)n1CCOC	ZINC000842017371	613881475	/nfs/dbraw/zinc/88/14/75/613881475.db2.gz	MYMBZMIFUXNWCH-UHFFFAOYSA-N	-1	0	286.353	0.890	20	30		CCEDRM
C=CCOC[C@@H](NC(=O)C1CCC(=O)CC1)C(=O)[O-]	ZINC000909770401	613881560	/nfs/dbraw/zinc/88/15/60/613881560.db2.gz	IISICXJLOAMFTH-LLVKDONJSA-N	-1	0	269.297	0.518	20	30		CCEDRM
C=CCOC[C@@H](NC(=O)C[C@@H]1CCCOC1)C(=O)[O-]	ZINC000909769176	613881653	/nfs/dbraw/zinc/88/16/53/613881653.db2.gz	BLTFQWYKEOURPE-WDEREUQCSA-N	-1	0	271.313	0.575	20	30		CCEDRM
C=CCOC[C@@H](NC(=O)N[C@H]1C[C@H](OC)C1)C(=O)[O-]	ZINC000909163571	613881677	/nfs/dbraw/zinc/88/16/77/613881677.db2.gz	OYUFPMQMWBPMEK-OPRDCNLKSA-N	-1	0	272.301	0.119	20	30		CCEDRM
C=CCOC[C@@H](NC(=O)NCC1(OC)CCC1)C(=O)[O-]	ZINC000837299573	613881697	/nfs/dbraw/zinc/88/16/97/613881697.db2.gz	LVLOIESLDAEOAN-SNVBAGLBSA-N	-1	0	286.328	0.511	20	30		CCEDRM
C=CCOC[C@@H](NC(=O)c1nccn1CC)C(=O)[O-]	ZINC000909769894	613881849	/nfs/dbraw/zinc/88/18/49/613881849.db2.gz	BSZHZGCNLXWHMW-SECBINFHSA-N	-1	0	267.285	0.289	20	30		CCEDRM
C=CCOC[C@H](NC(=O)CC(C)(C)OC)C(=O)[O-]	ZINC000909771042	613882290	/nfs/dbraw/zinc/88/22/90/613882290.db2.gz	LAGSOZLKNAWUTJ-VIFPVBQESA-N	-1	0	259.302	0.574	20	30		CCEDRM
C=CCOC[C@H](NC(=O)NC/C=C/Cl)C(=O)[O-]	ZINC000900313884	613882295	/nfs/dbraw/zinc/88/22/95/613882295.db2.gz	RKFWSJDYAOEQAI-RTMURIBGSA-N	-1	0	262.693	0.694	20	30		CCEDRM
C=CCOC[C@H](NC(=O)NCCC(C)(C)OC)C(=O)[O-]	ZINC000864545682	613882325	/nfs/dbraw/zinc/88/23/25/613882325.db2.gz	UUNRWRYIZFNBEG-JTQLQIEISA-N	-1	0	288.344	0.757	20	30		CCEDRM
C=CCOC[C@H](NC(=O)[C@H](C)[C@@H]1CCCO1)C(=O)[O-]	ZINC000909767397	613882572	/nfs/dbraw/zinc/88/25/72/613882572.db2.gz	NQWVRHNSIAGSRN-VWYCJHECSA-N	-1	0	271.313	0.574	20	30		CCEDRM
C=CCOC[C@H](NC(=O)c1cc(OC)ns1)C(=O)[O-]	ZINC000909765687	613882638	/nfs/dbraw/zinc/88/26/38/613882638.db2.gz	CZXALRBGALVENS-ZETCQYMHSA-N	-1	0	286.309	0.537	20	30		CCEDRM
C=CCO[N-]C(=O)[C@]1(C2CCCC2)CCNC1=O	ZINC000861924169	613884480	/nfs/dbraw/zinc/88/44/80/613884480.db2.gz	LBJRXNBQSIUXGD-ZDUSSCGKSA-N	-1	0	252.314	0.917	20	30		CCEDRM
C=CCS(=O)(=O)[N-]C(=O)/C=C\COC1CCOCC1	ZINC000870256081	613886078	/nfs/dbraw/zinc/88/60/78/613886078.db2.gz	CMZCIPWCPFITPO-ARJAWSKDSA-N	-1	0	289.353	0.370	20	30		CCEDRM
C=CCS(=O)(=O)[N-]C(=O)Cc1ccc(C)nc1	ZINC000821627569	613886107	/nfs/dbraw/zinc/88/61/07/613886107.db2.gz	GGDCQDVEHIKZRV-UHFFFAOYSA-N	-1	0	254.311	0.565	20	30		CCEDRM
C=CCS(=O)(=O)[N-]C(=O)c1cccc2nccnc21	ZINC000755760327	613886292	/nfs/dbraw/zinc/88/62/92/613886292.db2.gz	RXWHQOBUFSGOBN-UHFFFAOYSA-N	-1	0	277.305	0.875	20	30		CCEDRM
C=CCS(=O)(=O)[N-]C(=O)c1ccc2c(n1)OCCO2	ZINC000847669246	613886299	/nfs/dbraw/zinc/88/62/99/613886299.db2.gz	GKUSQPBZLUUKSO-UHFFFAOYSA-N	-1	0	284.293	0.098	20	30		CCEDRM
C=CCS(=O)(=O)[N-]C(=O)c1ccn(C)c1CC	ZINC000810644283	613886341	/nfs/dbraw/zinc/88/63/41/613886341.db2.gz	XDBSSBMOIRWISG-UHFFFAOYSA-N	-1	0	256.327	0.833	20	30		CCEDRM
C=CCS(=O)(=O)[N-]C(=O)c1cccc(C[NH+](C)C)c1	ZINC000821627568	613886375	/nfs/dbraw/zinc/88/63/75/613886375.db2.gz	GEZBXRDHINBSBR-UHFFFAOYSA-N	-1	0	282.365	0.994	20	30		CCEDRM
CC(C)C(=O)NCCCNC(=O)[C@](C)(C#N)CC(=O)[O-]	ZINC000819955426	613908338	/nfs/dbraw/zinc/90/83/38/613908338.db2.gz	XVFLFICHYIUKSO-ZDUSSCGKSA-N	-1	0	283.328	0.269	20	30		CCEDRM
CC(C)OCCC(=O)N1CCN(C(=O)[O-])C[C@H]1C#N	ZINC000824393692	614008689	/nfs/dbraw/zinc/00/86/89/614008689.db2.gz	KQSGCOJWMJHGIF-SNVBAGLBSA-N	-1	0	269.301	0.516	20	30		CCEDRM
CC(C)(CNC(=O)[O-])NC(=O)c1cc(C#N)c[nH]1	ZINC000823990461	614104107	/nfs/dbraw/zinc/10/41/07/614104107.db2.gz	DKKXGBLPNIVMIQ-UHFFFAOYSA-N	-1	0	250.258	0.662	20	30		CCEDRM
CC(C)[C@H](C#N)NC(=O)[C@@]1(F)CCN(C(=O)[O-])C1	ZINC000824058398	614187209	/nfs/dbraw/zinc/18/72/09/614187209.db2.gz	ZXNYONJFOKAFGJ-GZMMTYOYSA-N	-1	0	257.265	0.743	20	30		CCEDRM
CC(C)C[C@H](C#N)NC(=O)Cn1cc(C(=O)[O-])nn1	ZINC000826754697	614210156	/nfs/dbraw/zinc/21/01/56/614210156.db2.gz	QNZXVKVFKSYIOH-MRVPVSSYSA-N	-1	0	265.273	0.031	20	30		CCEDRM
CC(C)(C#N)CC(=O)[N-]S(=O)(=O)c1cnc2n1CCC2	ZINC000802205692	614285183	/nfs/dbraw/zinc/28/51/83/614285183.db2.gz	JKVGPKSISURYQY-UHFFFAOYSA-N	-1	0	296.352	0.574	20	30		CCEDRM
CC(C)[C@](C)(C#N)NC(=O)CN1CCO[C@H](CC(=O)[O-])C1	ZINC000826676831	614285758	/nfs/dbraw/zinc/28/57/58/614285758.db2.gz	KWWNGCXHHRPXEM-RISCZKNCSA-N	-1	0	297.355	0.216	20	30		CCEDRM
CC(C)[C@](C)(C#N)NC(=O)CN(C)[C@@H](C)C(=O)[O-]	ZINC000817771977	614285806	/nfs/dbraw/zinc/28/58/06/614285806.db2.gz	APWXAXYEWORKNN-CABZTGNLSA-N	-1	0	255.318	0.446	20	30		CCEDRM
CC(C)N1c2ccccc2C(=NNCC(=O)[O-])C1=O	ZINC000814956964	614301194	/nfs/dbraw/zinc/30/11/94/614301194.db2.gz	QPUOBANCOGWNPV-UHFFFAOYSA-N	-1	0	261.281	0.820	20	30		CCEDRM
CC(CCCCCCC(=O)[O-])N=NC1=NCC(=O)N1	ZINC000863176798	614378433	/nfs/dbraw/zinc/37/84/33/614378433.db2.gz	DMDNMGANMTZYKU-UHFFFAOYSA-N	-1	0	268.317	0.863	20	30		CCEDRM
CC(CCCOc1ccccc1C(N)=O)=NNCC(=O)[O-]	ZINC000814956694	614378658	/nfs/dbraw/zinc/37/86/58/614378658.db2.gz	KVCYWAYEFMFHCB-UHFFFAOYSA-N	-1	0	293.323	0.995	20	30		CCEDRM
CCCCS(=O)(=O)[N-]C(=O)CC1(C#N)CCOCC1	ZINC000850735737	614468017	/nfs/dbraw/zinc/46/80/17/614468017.db2.gz	HSPZTRTVAUDANE-UHFFFAOYSA-N	-1	0	288.369	0.943	20	30		CCEDRM
CCCC[C@@H](CNC(=O)[O-])NC(=O)N1CCO[C@H](C#N)C1	ZINC000826796793	614474936	/nfs/dbraw/zinc/47/49/36/614474936.db2.gz	XVDJDJWUUDXEEO-WDEREUQCSA-N	-1	0	298.343	0.747	20	30		CCEDRM
CCC(=O)N1CCCN(C(=O)[C@@](C)(C#N)CC(=O)[O-])CC1	ZINC000820256591	614549430	/nfs/dbraw/zinc/54/94/30/614549430.db2.gz	DBGBOPOUKFSQSL-CQSZACIVSA-N	-1	0	295.339	0.462	20	30		CCEDRM
CC1(S(=O)(=O)[N-]C(=O)c2ccc(C#N)nc2)CC1	ZINC000806027298	614935194	/nfs/dbraw/zinc/93/51/94/614935194.db2.gz	HVBGSSSGWDLFAB-UHFFFAOYSA-N	-1	0	265.294	0.565	20	30		CCEDRM
CCN(CCC#N)C(=O)CO[C@@H]1CCCN(C(=O)[O-])C1	ZINC000827110877	615022879	/nfs/dbraw/zinc/02/28/79/615022879.db2.gz	HUDLGRFVLSLNRH-LLVKDONJSA-N	-1	0	283.328	0.908	20	30		CCEDRM
CCOC(=O)C(C)(C)O[N-]C(=O)[C@H](C)n1cnc(C#N)n1	ZINC000855133296	615151727	/nfs/dbraw/zinc/15/17/27/615151727.db2.gz	XGDTUFMHRVNONF-QMMMGPOBSA-N	-1	0	295.299	0.100	20	30		CCEDRM
CCOCCOC1CN(C(=O)[C@](C)(C#N)CC(=O)[O-])C1	ZINC000820378169	615266170	/nfs/dbraw/zinc/26/61/70/615266170.db2.gz	VQPCZKHEVNIBCO-ZDUSSCGKSA-N	-1	0	284.312	0.255	20	30		CCEDRM
CCOCCO[C@H](C)C(=O)N1CCN(C(=O)[O-])C[C@H]1C#N	ZINC000827405222	615293687	/nfs/dbraw/zinc/29/36/87/615293687.db2.gz	MFBPNYHEQRTCSM-GHMZBOCLSA-N	-1	0	299.327	0.142	20	30		CCEDRM
CCO[N-]C(=O)CNC(=O)COc1cccc(C#N)c1	ZINC000846496300	615357457	/nfs/dbraw/zinc/35/74/57/615357457.db2.gz	BICSTCLDSNZMSG-UHFFFAOYSA-N	-1	0	277.280	0.121	20	30		CCEDRM
CCO[C@H](CC(=O)N(CC#N)CC(=O)[O-])C(C)C	ZINC000829912940	615478425	/nfs/dbraw/zinc/47/84/25/615478425.db2.gz	RASUVRRDXRCYFJ-SNVBAGLBSA-N	-1	0	256.302	0.874	20	30		CCEDRM
CC[C@@](C)(C#N)C(=O)[N-]OCCN1CCCC1=O	ZINC000856044666	615587970	/nfs/dbraw/zinc/58/79/70/615587970.db2.gz	RQOHNYDSJXTBSD-LBPRGKRZSA-N	-1	0	253.302	0.596	20	30		CCEDRM
CC[C@H](C)[C@](C)(O)CNC(=O)[C@](C)(C#N)CC(=O)[O-]	ZINC000820266103	615702877	/nfs/dbraw/zinc/70/28/77/615702877.db2.gz	AGAIGLVSZTYLJI-TVYUQYBPSA-N	-1	0	270.329	0.904	20	30		CCEDRM
CC[C@H](NC(=O)[O-])C(=O)NC[C@@H]1CCCN(CC#N)C1	ZINC000827524717	615805100	/nfs/dbraw/zinc/80/51/00/615805100.db2.gz	OUJWAZRUBVBASP-QWRGUYRKSA-N	-1	0	282.344	0.384	20	30		CCEDRM
CN(C(=O)CC1CN(C(=O)[O-])C1)C1(C#N)CCC1	ZINC000827751452	615811411	/nfs/dbraw/zinc/81/14/11/615811411.db2.gz	FQMYLKJWSVYNKY-UHFFFAOYSA-N	-1	0	251.286	0.891	20	30		CCEDRM
CCc1ocnc1C(=O)N1CCN(C(=O)[O-])C[C@@H]1C#N	ZINC000827681983	615879312	/nfs/dbraw/zinc/87/93/12/615879312.db2.gz	SSJYNLKUXAPDQI-QMMMGPOBSA-N	-1	0	278.268	0.565	20	30		CCEDRM
CN(C)C(=O)C1(C(=O)[N-]Oc2cccc(C#N)c2)CC1	ZINC000870691434	615945738	/nfs/dbraw/zinc/94/57/38/615945738.db2.gz	KYOBWVXQTCSQCF-UHFFFAOYSA-N	-1	0	273.292	0.837	20	30		CCEDRM
CN(C)c1ccc(C=Nn2c(=O)[n-][nH]c2=O)cc1F	ZINC000814231839	616013804	/nfs/dbraw/zinc/01/38/04/616013804.db2.gz	GDCPJFGRTANGJN-UHFFFAOYSA-N	-1	0	265.248	0.777	20	30		CCEDRM
CN(CCC(=O)[O-])[C@H](C(N)=O)c1ccc(C#N)cc1	ZINC000818457269	616069231	/nfs/dbraw/zinc/06/92/31/616069231.db2.gz	FZHDSTGEHJKIKV-LBPRGKRZSA-N	-1	0	261.281	0.491	20	30		CCEDRM
CN([C@H](C(=O)[O-])c1cccc(C#N)c1)[C@@H]1CCNC1=O	ZINC000833692428	616115549	/nfs/dbraw/zinc/11/55/49/616115549.db2.gz	WVCBDDUURKFZNE-NEPJUHHUSA-N	-1	0	273.292	0.504	20	30		CCEDRM
CN1C(=O)CCc2cc(C=NNCC(=O)[O-])ccc21	ZINC000814958558	616133866	/nfs/dbraw/zinc/13/38/66/616133866.db2.gz	AWVKCLLOQRIICE-UHFFFAOYSA-N	-1	0	261.281	0.604	20	30		CCEDRM
CN(C[C@H]1CCOC1)C(=O)[C@](C)(C#N)CC(=O)[O-]	ZINC000820579881	616160939	/nfs/dbraw/zinc/16/09/39/616160939.db2.gz	LXWFSVCWAHLKBN-SKDRFNHKSA-N	-1	0	254.286	0.486	20	30		CCEDRM
CN([C@@H](C(=O)[O-])c1cccc(C#N)c1)[C@H]1CCN(C)C1=O	ZINC000830923557	616403564	/nfs/dbraw/zinc/40/35/64/616403564.db2.gz	LWJVXPUSVCUTOY-QWHCGFSZSA-N	-1	0	287.319	0.846	20	30		CCEDRM
COC1(C(=O)[N-]S(=O)(=O)Cc2ccccc2C#N)CC1	ZINC000842676167	616425549	/nfs/dbraw/zinc/42/55/49/616425549.db2.gz	SUWQJNYYXIQYJX-UHFFFAOYSA-N	-1	0	294.332	0.683	20	30		CCEDRM
COCCNC(=O)C(C#N)=C([O-])c1cc(C#N)oc1C	ZINC000797943561	616491615	/nfs/dbraw/zinc/49/16/15/616491615.db2.gz	SVHKZAJBYXDKEF-NSHDSACASA-N	-1	0	275.264	0.545	20	30		CCEDRM
COCCNC(=O)C(C#N)=C([O-])c1cccn2nccc12	ZINC000892491815	616496573	/nfs/dbraw/zinc/49/65/73/616496573.db2.gz	NTMRHRHYPZYTLX-LLVKDONJSA-N	-1	0	286.291	0.419	20	30		CCEDRM
COCCON=Cc1c(C)nn(CCC(=O)[O-])c1C	ZINC000831767376	616571194	/nfs/dbraw/zinc/57/11/94/616571194.db2.gz	NOTWSEJCTUTLSN-UHFFFAOYSA-N	-1	0	269.301	0.972	20	30		CCEDRM
COC(=O)CN(CC#N)Cc1cccc(C(=O)[O-])c1	ZINC000820668025	616588573	/nfs/dbraw/zinc/58/85/73/616588573.db2.gz	KDAGVCXTLYDLBO-UHFFFAOYSA-N	-1	0	262.265	0.883	20	30		CCEDRM
COC[C@H](C)S(=O)(=O)[N-]C(=O)c1cccc(C#N)n1	ZINC000810585331	616630270	/nfs/dbraw/zinc/63/02/70/616630270.db2.gz	RHVXRADCWKAJAM-QMMMGPOBSA-N	-1	0	283.309	0.048	20	30		CCEDRM
COCC1(C(=O)[N-]S(=O)(=O)CCC#N)CCC1	ZINC000821582242	616749601	/nfs/dbraw/zinc/74/96/01/616749601.db2.gz	ICPXYOQVGROJIY-UHFFFAOYSA-N	-1	0	260.315	0.163	20	30		CCEDRM
CNC(=O)C(C#N)=C([O-])c1cc(C)n(-c2ccn(C)n2)c1C	ZINC000857010117	616777224	/nfs/dbraw/zinc/77/72/24/616777224.db2.gz	DYUUZLAQXBTPOG-LBPRGKRZSA-N	-1	0	299.334	0.896	20	30		CCEDRM
CNC(=O)C(C#N)=C([O-])c1cnc2cc(C)nn2c1C	ZINC000917002342	616777744	/nfs/dbraw/zinc/77/77/44/616777744.db2.gz	HJRXMMXLRZUNED-VIFPVBQESA-N	-1	0	271.280	0.415	20	30		CCEDRM
CNC(=O)C(C#N)=C([O-])c1ccnc(NC(=O)C(C)C)c1	ZINC000815912086	616778096	/nfs/dbraw/zinc/77/80/96/616778096.db2.gz	YVCILCUGLNQAMI-JTQLQIEISA-N	-1	0	288.307	0.745	20	30		CCEDRM
CNC(=O)C(C#N)=C([O-])c1ccnc(OCC(F)F)c1	ZINC000136792500	616778106	/nfs/dbraw/zinc/77/81/06/616778106.db2.gz	LUCFRVJWNDKOQS-QMMMGPOBSA-N	-1	0	283.234	0.794	20	30		CCEDRM
COC(=O)c1[nH]c(C=NNc2nnc(C)c(=O)[n-]2)cc1C	ZINC000799869547	616809229	/nfs/dbraw/zinc/80/92/29/616809229.db2.gz	WMBOCYOUDNWMJU-UHFFFAOYSA-N	-1	0	290.283	0.755	20	30		CCEDRM
COC[C@](C)(C#N)NC(=O)C[C@H]1CCCN1C(=O)[O-]	ZINC000828885475	616816326	/nfs/dbraw/zinc/81/63/26/616816326.db2.gz	FYUNELFMHYVIRW-SKDRFNHKSA-N	-1	0	269.301	0.564	20	30		CCEDRM
COC[C@](C)(C#N)NC(=O)c1ccc(OCC(=O)[O-])cc1	ZINC000831540582	616817150	/nfs/dbraw/zinc/81/71/50/616817150.db2.gz	AAUPYDSQLQEFPA-AWEZNQCLSA-N	-1	0	292.291	0.808	20	30		CCEDRM
CNC(=O)C(C#N)=C([O-])c1cccc(NC(C)=O)c1	ZINC000917002398	616839310	/nfs/dbraw/zinc/83/93/10/616839310.db2.gz	JPLMJVWIXHOZMH-LLVKDONJSA-N	-1	0	259.265	0.713	20	30		CCEDRM
CNC(=O)C(C#N)=C([O-])c1cnc2n1CCCCC2	ZINC000857010409	616839366	/nfs/dbraw/zinc/83/93/66/616839366.db2.gz	MUMZFAYOSNRJPX-SECBINFHSA-N	-1	0	260.297	0.678	20	30		CCEDRM
CNC(=O)C(C#N)=C([O-])c1scc2c1OCCO2	ZINC000847626315	616839559	/nfs/dbraw/zinc/83/95/59/616839559.db2.gz	JGKYUSNPLZSYEJ-ZCFIWIBFSA-N	-1	0	266.278	0.588	20	30		CCEDRM
CNC(=O)C(C#N)=C([O-])c1cccc(OC(C)C)n1	ZINC000119293450	616839564	/nfs/dbraw/zinc/83/95/64/616839564.db2.gz	SMDBQFDHERUOTF-SECBINFHSA-N	-1	0	261.281	0.937	20	30		CCEDRM
COC(=O)c1ccc(C=Nn2c(=O)[n-][nH]c2=O)cc1	ZINC000814232717	616891381	/nfs/dbraw/zinc/89/13/81/616891381.db2.gz	JLCAKUGITYAKDA-UHFFFAOYSA-N	-1	0	262.225	0.358	20	30		CCEDRM
COC[C@@H](NC(=O)[C@@]1(C#N)CC2CCC1CC2)C(=O)[O-]	ZINC000923076718	616893263	/nfs/dbraw/zinc/89/32/63/616893263.db2.gz	GDGJQRAGNSJJGE-BXTUAPDASA-N	-1	0	280.324	0.922	20	30		CCEDRM
COCc1cccc(C(=O)N[C@H]2CCN(O)C2=O)c1	ZINC000816694169	616902312	/nfs/dbraw/zinc/90/23/12/616902312.db2.gz	ZYWHLXAEHHKYGD-NSHDSACASA-N	-1	0	264.281	0.553	20	30		CCEDRM
COC(=O)c1ccc(O)c(C=NN2CCC[C@H]2CO)c1	ZINC000841662535	616918643	/nfs/dbraw/zinc/91/86/43/616918643.db2.gz	XEVJMGLQIIMYNU-LBPRGKRZSA-N	-1	0	278.308	0.969	20	30		CCEDRM
CNC(=O)c1cccc(NC(=O)[C@@](C)(C#N)CC(=O)[O-])c1	ZINC000820641269	616922283	/nfs/dbraw/zinc/92/22/83/616922283.db2.gz	PCFIRFVWPBUCEW-CQSZACIVSA-N	-1	0	289.291	0.989	20	30		CCEDRM
CO[C@@]1(C(=O)[O-])CCN(C(=O)[C@]2(C#N)CCCOC2)C1	ZINC000923097792	616922780	/nfs/dbraw/zinc/92/27/80/616922780.db2.gz	ALJGXSGYDYVTIY-STQMWFEESA-N	-1	0	282.296	0.009	20	30		CCEDRM
COC[C@H](C#N)OC(=O)C[C@H]1CCCN1C(=O)[O-]	ZINC000833881987	617046898	/nfs/dbraw/zinc/04/68/98/617046898.db2.gz	GWCNHVYNMGEFBL-BDAKNGLRSA-N	-1	0	256.258	0.601	20	30		CCEDRM
CO[C@@H](C(=O)[O-])C(=O)N1CCc2c(CC#N)cccc2C1	ZINC000902245475	617128272	/nfs/dbraw/zinc/12/82/72/617128272.db2.gz	DXDPYOZSZZXWHK-CYBMUJFWSA-N	-1	0	288.303	0.737	20	30		CCEDRM
CC[C@H](CNS(=O)(=O)c1cncc(C#N)c1)C(=O)[O-]	ZINC000311965199	625300011	/nfs/dbraw/zinc/30/00/11/625300011.db2.gz	LXARXGCDGIYSOV-SECBINFHSA-N	-1	0	283.309	0.342	20	30		CCEDRM
N#CCCCS(=O)(=O)[N-]C(=O)c1ccc(C#N)cc1	ZINC000181287705	625370307	/nfs/dbraw/zinc/37/03/07/625370307.db2.gz	XQQIWSRDBQJWRG-UHFFFAOYSA-N	-1	0	277.305	0.922	20	30		CCEDRM
N#Cc1ccc(CS(=O)(=O)[N-]C(=O)CCF)cc1	ZINC000892410354	623177383	/nfs/dbraw/zinc/17/73/83/623177383.db2.gz	ADNXPGFAYDSGRZ-UHFFFAOYSA-N	-1	0	270.285	0.864	20	30		CCEDRM
C=CCN(CC(=O)[O-])C(=O)N[C@H]1CCO[C@@H](C)C1	ZINC000235587444	623371393	/nfs/dbraw/zinc/37/13/93/623371393.db2.gz	UDNAZQICZSTTNQ-UWVGGRQHSA-N	-1	0	256.302	0.836	20	30		CCEDRM
COCCNC(=O)C(C#N)=C([O-])c1cc(OC)cs1	ZINC000177597405	623426825	/nfs/dbraw/zinc/42/68/25/623426825.db2.gz	HSEHVSWRFIVGNQ-VIFPVBQESA-N	-1	0	282.321	0.842	20	30		CCEDRM
Cc1nn(C)cc1/C=C\C(=O)c1cnc([O-])n(C)c1=O	ZINC000255205173	624800302	/nfs/dbraw/zinc/80/03/02/624800302.db2.gz	TYRXGWISROFRQY-PLNGDYQASA-N	-1	0	274.280	0.424	20	30		CCEDRM
C=CCN(CC(=O)[O-])C(=O)c1ccc(-n2cncn2)nc1	ZINC000092463434	624851615	/nfs/dbraw/zinc/85/16/15/624851615.db2.gz	YPADIUMMUAYVTC-UHFFFAOYSA-N	-1	0	287.279	0.375	20	30		CCEDRM
CCc1cc(C([O-])=C(C#N)C(=O)N2CCCC2)n[nH]1	ZINC000124885827	625726505	/nfs/dbraw/zinc/72/65/05/625726505.db2.gz	BGIZGUTVVXYTJT-SNVBAGLBSA-N	-1	0	260.297	0.917	20	30		CCEDRM
Cn1ncc2c1N(CC1(C#N)CCC1)S(=O)(=O)C=C2[O-]	ZINC000902834364	634471505	/nfs/dbraw/zinc/47/15/05/634471505.db2.gz	SPMCQVHXNUYREX-UHFFFAOYSA-N	-1	0	294.336	0.446	20	30		CCEDRM
CS(=O)(=O)[N-]C(=O)CCN1C(=O)COc2ccccc21	ZINC000048480129	631723396	/nfs/dbraw/zinc/72/33/96/631723396.db2.gz	SJIITJORSFZVMP-UHFFFAOYSA-N	-1	0	298.320	0.718	20	30		CCEDRM
Cn1cc(C=CC(=O)[N-]S(=O)(=O)c2cnn(C)c2)cn1	ZINC000048519972	631730452	/nfs/dbraw/zinc/73/04/52/631730452.db2.gz	SQGFEXLBAVNCGZ-ARJAWSKDSA-N	-1	0	295.324	0.512	20	30		CCEDRM
C=CCOCCCC(=O)N[C@@](C)(COC)C(=O)[O-]	ZINC000262090193	631908260	/nfs/dbraw/zinc/90/82/60/631908260.db2.gz	LMDNJFWGPKPIDG-LBPRGKRZSA-N	-1	0	259.302	0.575	20	30		CCEDRM
C#CCCCC(=O)[N-]S(=O)(=O)N1CCCCC1	ZINC000191093517	631925083	/nfs/dbraw/zinc/92/50/83/631925083.db2.gz	VVRSDVLMUKNXIP-UHFFFAOYSA-N	-1	0	258.343	0.637	20	30		CCEDRM
C=CCN(CC(=O)[O-])C(=O)CCNC(=O)C(C)(C)C	ZINC000092462594	631925198	/nfs/dbraw/zinc/92/51/98/631925198.db2.gz	IXEAYMQNDQCQGD-UHFFFAOYSA-N	-1	0	270.329	0.638	20	30		CCEDRM
C#CCCCC(=O)N[C@@H](C(=O)[O-])[C@H]1CCCOC1	ZINC000909547677	632347961	/nfs/dbraw/zinc/34/79/61/632347961.db2.gz	YLMDDHMVLIXGCH-CMPLNLGQSA-N	-1	0	253.298	0.786	20	30		CCEDRM
N#CCCCS(=O)(=O)N1CC[C@@H]2[C@H](C1)[C@H]2C(=O)[O-]	ZINC000871775297	632721287	/nfs/dbraw/zinc/72/12/87/632721287.db2.gz	DLRKJVODFDATQX-UTLUCORTSA-N	-1	0	272.326	0.272	20	30		CCEDRM
C[C@@H](O)CN(C)N=Cc1ccc(C(=O)[O-])c(O)c1	ZINC000901253059	634211481	/nfs/dbraw/zinc/21/14/81/634211481.db2.gz	WRZNZVCKARDLIZ-MRVPVSSYSA-N	-1	0	252.270	0.737	20	30		CCEDRM
N#Cc1c[n-]c(=O)n(CCOC2CCSCC2)c1=O	ZINC000901563518	634260399	/nfs/dbraw/zinc/26/03/99/634260399.db2.gz	ASJJMFGTRRTXEL-UHFFFAOYSA-N	-1	0	281.337	0.320	20	30		CCEDRM
N#CC1CN(S(=O)(=O)c2cccc(C(=O)[O-])c2)C1	ZINC000906997936	635060197	/nfs/dbraw/zinc/06/01/97/635060197.db2.gz	OBRKOMLRLWMWPH-UHFFFAOYSA-N	-1	0	266.278	0.529	20	30		CCEDRM
C=CCCCN(CC)C(=O)C(=O)NCCC(=O)[O-]	ZINC000910494327	635790132	/nfs/dbraw/zinc/79/01/32/635790132.db2.gz	PQLZZMVYNYKBTM-UHFFFAOYSA-N	-1	0	256.302	0.392	20	30		CCEDRM
C#CCOc1ccc(C(=O)N2CC[C@@](O)(C(=O)[O-])C2)cc1	ZINC000910525138	635792310	/nfs/dbraw/zinc/79/23/10/635792310.db2.gz	GTYRYQYZCGENDQ-HNNXBMFYSA-N	-1	0	289.287	0.360	20	30		CCEDRM
C#CCCCC(=O)N[C@@H](C[C@H]1CCCO1)C(=O)[O-]	ZINC000910591227	635809904	/nfs/dbraw/zinc/80/99/04/635809904.db2.gz	QFDSUFGFQFECRS-MNOVXSKESA-N	-1	0	253.298	0.928	20	30		CCEDRM
N#Cc1ccccc1CS(=O)(=O)NC1(C(=O)[O-])CCC1	ZINC000164925999	636889598	/nfs/dbraw/zinc/88/95/98/636889598.db2.gz	NYIGDFZOKLYKBM-UHFFFAOYSA-N	-1	0	294.332	0.985	20	30		CCEDRM
CNC(=O)C(C#N)=C([O-])c1cncc(Br)c1	ZINC000193634013	636891330	/nfs/dbraw/zinc/89/13/30/636891330.db2.gz	HMFHMBJWGICMGA-QMMMGPOBSA-N	-1	0	282.097	0.913	20	30		CCEDRM
Cn1cc(C#N)cc1C(=O)[N-]S(=O)(=O)CC1CCC1	ZINC000165108172	636894809	/nfs/dbraw/zinc/89/48/09/636894809.db2.gz	BCBCUROWLQAQCV-UHFFFAOYSA-N	-1	0	281.337	0.756	20	30		CCEDRM
C#CCOCCC(=O)[N-]S(=O)(=O)C(CC)CC	ZINC000166510954	636928116	/nfs/dbraw/zinc/92/81/16/636928116.db2.gz	VBRVYGABTCWXEZ-UHFFFAOYSA-N	-1	0	261.343	0.661	20	30		CCEDRM
CCS(=O)(=O)[N-]C(=O)Cc1ccc(OCC#N)cc1	ZINC000170625755	637088578	/nfs/dbraw/zinc/08/85/78/637088578.db2.gz	MZBQCTKGMXVJOW-UHFFFAOYSA-N	-1	0	282.321	0.597	20	30		CCEDRM
CC(C)C[C@@H](NS(=O)(=O)c1cccnc1C#N)C(=O)[O-]	ZINC000232608114	637264550	/nfs/dbraw/zinc/26/45/50/637264550.db2.gz	WXWPZCGGUXTUOF-SECBINFHSA-N	-1	0	297.336	0.731	20	30		CCEDRM
N#CCc1cccc(S(=O)(=O)[N-]N2CCCC2=O)c1	ZINC000867592439	637324338	/nfs/dbraw/zinc/32/43/38/637324338.db2.gz	CANVEFIEFRGBLB-UHFFFAOYSA-N	-1	0	279.321	0.568	20	30		CCEDRM
C[C@@H](CO)N(C)N=Cc1ccc([N+](=O)[O-])c([O-])c1	ZINC000842540415	637339000	/nfs/dbraw/zinc/33/90/00/637339000.db2.gz	KTMHHYKXMRRKFP-QMMMGPOBSA-N	-1	0	253.258	0.947	20	30		CCEDRM
Cc1cc([O-])cc2c1C(=O)C(=NN1CCOCC1)O2	ZINC000915939012	637881322	/nfs/dbraw/zinc/88/13/22/637881322.db2.gz	GWYILADDIAQJJL-UHFFFAOYSA-N	-1	0	262.265	0.921	20	30		CCEDRM
Cc1nn(C)c(C)c1C=NNc1nnc(C)c(=O)[n-]1	ZINC000916282955	637894707	/nfs/dbraw/zinc/89/47/07/637894707.db2.gz	VKVLEMVPNBTHNK-UHFFFAOYSA-N	-1	0	261.289	0.682	20	30		CCEDRM
Cc1cc2ncc(C([O-])=C(C#N)C(=O)NC3CC3)c(C)n2n1	ZINC000916926597	637933007	/nfs/dbraw/zinc/93/30/07/637933007.db2.gz	MFCCJGBPJYBKNV-NSHDSACASA-N	-1	0	297.318	0.947	20	30		CCEDRM
Cc1n[nH]c(C(=O)N[C@H]2CCN(CC#N)C[C@@H]2C)c1[O-]	ZINC000941960313	638589473	/nfs/dbraw/zinc/58/94/73/638589473.db2.gz	VIIUPOXJJWLSGF-WPRPVWTQSA-N	-1	0	277.328	0.388	20	30		CCEDRM
C#CCCC[N-]S(=O)(=O)c1scnc1C(=O)OC	ZINC000183669705	638596650	/nfs/dbraw/zinc/59/66/50/638596650.db2.gz	CJZOWCLERDLSLJ-UHFFFAOYSA-N	-1	0	288.350	0.621	20	30		CCEDRM
Cc1[nH]nc(C(=O)N2CCC[C@@H](NCC#N)C2)c1[O-]	ZINC000998956383	638952244	/nfs/dbraw/zinc/95/22/44/638952244.db2.gz	VOYJYJFQDRIBEC-SECBINFHSA-N	-1	0	263.301	0.142	20	30		CCEDRM
C#CC1(NC(=O)CCCn2c(=O)[n-][nH]c2=O)CCCC1	ZINC000922219428	639584309	/nfs/dbraw/zinc/58/43/09/639584309.db2.gz	VMVHCECRFXACJG-UHFFFAOYSA-N	-1	0	278.312	0.532	20	30		CCEDRM
N#C[C@]1(C(=O)N2CC[C@@H](C(=O)[O-])C2)CCCOC1	ZINC000923069310	640013023	/nfs/dbraw/zinc/01/30/23/640013023.db2.gz	GEWYVNWDCWNYAU-BXKDBHETSA-N	-1	0	252.270	0.240	20	30		CCEDRM
C[C@]1(C(=O)[O-])CCN(C(=O)[C@@]2(C#N)CCCOC2)C1	ZINC000923064319	640013265	/nfs/dbraw/zinc/01/32/65/640013265.db2.gz	PFLNXWHIOYFFHN-QWHCGFSZSA-N	-1	0	266.297	0.630	20	30		CCEDRM
N#C[C@]1(C(=O)N2CC[C@](F)(C(=O)[O-])C2)CCCOC1	ZINC000923067397	640014535	/nfs/dbraw/zinc/01/45/35/640014535.db2.gz	URYGXKAKOOPQKA-VXGBXAGGSA-N	-1	0	270.260	0.332	20	30		CCEDRM
N#C[C@@]1(C(=O)NCCOCC(=O)[O-])CC12CCCC2	ZINC000923082617	640017460	/nfs/dbraw/zinc/01/74/60/640017460.db2.gz	VYTRWFFXQMGMHI-CYBMUJFWSA-N	-1	0	266.297	0.678	20	30		CCEDRM
C[C@@H]1CN(C(=O)[C@]2(C#N)CCCOC2)CC[C@@H]1C(=O)[O-]	ZINC000923084901	640018928	/nfs/dbraw/zinc/01/89/28/640018928.db2.gz	NCUWYPXMWXVGPX-SUNKGSAMSA-N	-1	0	280.324	0.876	20	30		CCEDRM
N#CCCCCCC(=O)[N-]S(=O)(=O)c1cc[nH]n1	ZINC000805926400	640441439	/nfs/dbraw/zinc/44/14/39/640441439.db2.gz	OAYSEOKOQUFLQA-UHFFFAOYSA-N	-1	0	270.314	0.689	20	30		CCEDRM
Cc1oc(C#N)cc1C(=O)[N-]S(=O)(=O)CCCF	ZINC000797951575	640471963	/nfs/dbraw/zinc/47/19/63/640471963.db2.gz	KPWCEMTTZNBYBP-UHFFFAOYSA-N	-1	0	274.273	0.879	20	30		CCEDRM
C[C@@H]1C[C@@H](C)[C@@H](C(=O)[N-]S(=O)(=O)CC(C)(C)C#N)O1	ZINC000800403498	640611748	/nfs/dbraw/zinc/61/17/48/640611748.db2.gz	KUTNTDSNMTVMMY-BBBLOLIVSA-N	-1	0	288.369	0.796	20	30		CCEDRM
C[C@@H](O)CNN=Cc1ccc(O[C@@H](C)C(=O)[O-])cc1	ZINC000814962625	641085774	/nfs/dbraw/zinc/08/57/74/641085774.db2.gz	PBVQCPLOJRRPHL-ZJUUUORDSA-N	-1	0	266.297	0.843	20	30		CCEDRM
N#CC1CN(C(=O)CSc2n[n-]c(=S)s2)C1	ZINC000817546605	641260850	/nfs/dbraw/zinc/26/08/50/641260850.db2.gz	LFECZEIUOXFNBM-UHFFFAOYSA-N	-1	0	272.380	0.901	20	30		CCEDRM
O=C(COCc1cccc(Cl)c1)N[C@H]1CCN(O)C1=O	ZINC000820138399	641469372	/nfs/dbraw/zinc/46/93/72/641469372.db2.gz	ZLOJOUPMSANPER-NSHDSACASA-N	-1	0	298.726	0.963	20	30		CCEDRM
C[C@H]1CC[C@H](C(=O)Nc2nc(C#N)c(-c3nn[nH]n3)[n-]2)C1	ZINC000824911019	641853440	/nfs/dbraw/zinc/85/34/40/641853440.db2.gz	ZXSSYHDAKQCCGH-BQBZGAKWSA-N	-1	0	286.299	0.836	20	30		CCEDRM
CC[C@H](C#N)NC(=O)Cc1noc(C)c1-c1nn[nH]n1	ZINC000825040261	641862011	/nfs/dbraw/zinc/86/20/11/641862011.db2.gz	ZYFNLZJZSWYKQR-SSDOTTSWSA-N	-1	0	275.272	0.124	20	30		CCEDRM
C[C@H]1CCC[C@H](C)N1C(=O)CN(CC#N)CC(=O)[O-]	ZINC000828239603	642075114	/nfs/dbraw/zinc/07/51/14/642075114.db2.gz	PBSZCDMGOXCIDH-QWRGUYRKSA-N	-1	0	267.329	0.686	20	30		CCEDRM
N#Cc1ccccc1COC(=O)[C@H]1COCCN1C(=O)[O-]	ZINC000831152311	642319809	/nfs/dbraw/zinc/31/98/09/642319809.db2.gz	CELXDQJQTYCKIG-GFCCVEGCSA-N	-1	0	290.275	0.980	20	30		CCEDRM
N#CCCS(=O)(=O)[N-]C(=O)COCCc1ccccc1	ZINC000835410754	642660990	/nfs/dbraw/zinc/66/09/90/642660990.db2.gz	DTFQLBLGLUHTRY-UHFFFAOYSA-N	-1	0	296.348	0.605	20	30		CCEDRM
O=C(N[C@H]1CCCN(O)C1=O)c1s[n-]c(=O)c1Cl	ZINC000848133045	643602234	/nfs/dbraw/zinc/60/22/34/643602234.db2.gz	RUAQKOKRAXFGHN-BYPYZUCNSA-N	-1	0	291.716	0.612	20	30		CCEDRM
O=C([N-][C@H]1CCCN(O)C1=O)C(F)(F)C(F)F	ZINC000848137064	643607761	/nfs/dbraw/zinc/60/77/61/643607761.db2.gz	XVHRVFKGEOOLPE-BYPYZUCNSA-N	-1	0	258.171	0.383	20	30		CCEDRM
C[C@H](CC#N)C(=O)[N-]S(=O)(=O)c1ncn(C)c1Cl	ZINC000850798087	643814083	/nfs/dbraw/zinc/81/40/83/643814083.db2.gz	HNQBLBGMXXRXOE-ZCFIWIBFSA-N	-1	0	290.732	0.428	20	30		CCEDRM
C[C@H]1Cc2cc(C(=O)[N-]S(=O)(=O)CCC#N)ccc2O1	ZINC000851016392	643826421	/nfs/dbraw/zinc/82/64/21/643826421.db2.gz	SXCIGMCVZWRCLJ-VIFPVBQESA-N	-1	0	294.332	0.983	20	30		CCEDRM
C#CCOc1ccc(C(=O)N[C@H]2CCO[C@H]2C(=O)[O-])cc1	ZINC000851616227	643860274	/nfs/dbraw/zinc/86/02/74/643860274.db2.gz	WKRABJCYHSGGKQ-QWHCGFSZSA-N	-1	0	289.287	0.671	20	30		CCEDRM
Cc1cncn1CC(=O)[N-]S(=O)(=O)CC1(C#N)CCC1	ZINC000860672491	644820535	/nfs/dbraw/zinc/82/05/35/644820535.db2.gz	WFMYRVSUEJLMBP-UHFFFAOYSA-N	-1	0	296.352	0.331	20	30		CCEDRM
Cn1nc(C(=O)[N-]S(=O)(=O)CCC#N)c2ccccc21	ZINC000860753465	644826690	/nfs/dbraw/zinc/82/66/90/644826690.db2.gz	XCPOVBPMXXFATA-UHFFFAOYSA-N	-1	0	292.320	0.547	20	30		CCEDRM
C[C@@H]1C(N=NC2=NCC(=O)N2)CC[C@@H](C(=O)[O-])C1(C)C	ZINC000863177265	645066585	/nfs/dbraw/zinc/06/65/85/645066585.db2.gz	LPEWHLBIDWQOKW-SFYZADRCSA-N	-1	0	280.328	0.575	20	30		CCEDRM
CC(=O)C[C@@H](NS(=O)(=O)CC1(CC#N)CC1)C(=O)[O-]	ZINC000863407566	645092267	/nfs/dbraw/zinc/09/22/67/645092267.db2.gz	JFAZETRPTXWVQT-SECBINFHSA-N	-1	0	288.325	0.032	20	30		CCEDRM
O=Cc1cc(C(=O)N[C@H]2CCCN(O)C2=O)ccc1F	ZINC000868562517	645785839	/nfs/dbraw/zinc/78/58/39/645785839.db2.gz	GOZKREAETRJSIN-NSHDSACASA-N	-1	0	280.255	0.748	20	30		CCEDRM
C[C@@H](C(=O)N[C@@H]1CCCN(O)C1=O)c1ccncc1	ZINC000868562200	645786970	/nfs/dbraw/zinc/78/69/70/645786970.db2.gz	DJSCJEDQENSIGR-MWLCHTKSSA-N	-1	0	263.297	0.682	20	30		CCEDRM
CC#CC[C@@H](NS(=O)(=O)CC[C@H]1CCOC1)C(=O)[O-]	ZINC000871652244	646162142	/nfs/dbraw/zinc/16/21/42/646162142.db2.gz	GXVAKYFTDYZANX-GHMZBOCLSA-N	-1	0	289.353	0.199	20	30		CCEDRM
C#CCC1(NC(=O)c2cnc([O-])n(C)c2=O)CCCCC1	ZINC000886654646	647995142	/nfs/dbraw/zinc/99/51/42/647995142.db2.gz	JFLROYSXXFSTRD-UHFFFAOYSA-N	-1	0	289.335	0.942	20	30		CCEDRM
C=C(Br)CNC(=O)[C@H]1CC[C@H](C(=O)[O-])O1	ZINC000191184619	649469519	/nfs/dbraw/zinc/46/95/19/649469519.db2.gz	FWHVHMMZUMBFNP-RNFRBKRXSA-N	-1	0	278.102	0.643	20	30		CCEDRM
C=CCN(CC(=O)[O-])C(=O)c1ccc(N(C)C)nc1	ZINC000092463663	649724311	/nfs/dbraw/zinc/72/43/11/649724311.db2.gz	NIRICUCTDQVYTA-UHFFFAOYSA-N	-1	0	263.297	0.860	20	30		CCEDRM
C=C[C@@H](COC)NC(=O)N(CCOC)CCC(=O)[O-]	ZINC001588451434	958411833	/nfs/dbraw/zinc/41/18/33/958411833.db2.gz	WUEVMEBMMTYUEF-JTQLQIEISA-N	-1	0	274.317	0.320	20	30		CCEDRM
CS(=O)(=O)c1ccc(C=NNCCC(=O)[O-])s1	ZINC001594173841	959019368	/nfs/dbraw/zinc/01/93/68/959019368.db2.gz	FKEZVZLCBYGEFO-UHFFFAOYSA-N	-1	0	276.339	0.550	20	30		CCEDRM
CCOC(=O)C[C@@H](CC#N)Oc1nc(Cl)[n-]c(=O)n1	ZINC001230241607	805588383	/nfs/dbraw/zinc/58/83/83/805588383.db2.gz	IZDQGKQIIIOUGP-ZCFIWIBFSA-N	-1	0	286.675	0.845	20	30		CCEDRM
C[C@H](C#N)S(=O)(=O)[N-]c1ccc(S(C)(=O)=O)cc1	ZINC000088475561	790360188	/nfs/dbraw/zinc/36/01/88/790360188.db2.gz	UWKSZKHWRQOWEB-MRVPVSSYSA-N	-1	0	288.350	0.744	20	30		CCEDRM
C=C[C@](C)(CC)C(=O)NCCN(C)Cc1n[nH]c(=O)[n-]1	ZINC001266321061	790502869	/nfs/dbraw/zinc/50/28/69/790502869.db2.gz	QCEVUYKIDBHLJK-CYBMUJFWSA-N	-1	0	281.360	0.661	20	30		CCEDRM
CS(=O)(=O)N1CCN(Cc2ccc(C#N)cc2O)CC1	ZINC001233385725	806053478	/nfs/dbraw/zinc/05/34/78/806053478.db2.gz	RQHFPDWKSFIXDI-UHFFFAOYSA-N	-1	0	295.364	0.341	20	30		CCEDRM
N#Cc1cc(C(F)(F)F)cnc1N[C@@H]1CO[N-]C1=O	ZINC001167510886	791495638	/nfs/dbraw/zinc/49/56/38/791495638.db2.gz	GCYMVXBGJULLSZ-SSDOTTSWSA-N	-1	0	272.186	0.814	20	30		CCEDRM
N#Cc1c[nH]c2nc(Cl)nc(N[C@@H]3CO[N-]C3=O)c12	ZINC001167511119	791497781	/nfs/dbraw/zinc/49/77/81/791497781.db2.gz	QXIACGZWBPTSEH-RXMQYKEDSA-N	-1	0	278.659	0.325	20	30		CCEDRM
CO/N=C/c1cc(N[C@@H]2CO[N-]C2=O)cc(F)c1F	ZINC001167522575	791508590	/nfs/dbraw/zinc/50/85/90/791508590.db2.gz	JSTWMJMMBFDLPI-KUQJRHMUSA-N	-1	0	271.223	0.787	20	30		CCEDRM
O=C([O-])Cn1cc(/C=C2\Cc3cc(O)ccc3C2=O)nn1	ZINC000588535207	791599535	/nfs/dbraw/zinc/59/95/35/791599535.db2.gz	VLYSWIMIHTWCDU-RUDMXATFSA-N	-1	0	285.259	0.891	20	30		CCEDRM
COC(=O)C1=NC(C(=O)OC)C([O-])=C1OC1CC(C#N)C1	ZINC001234355382	806229725	/nfs/dbraw/zinc/22/97/25/806229725.db2.gz	OABQXTROFCFSIA-UHFFFAOYSA-N	-1	0	294.263	0.974	20	30		CCEDRM
C=CCn1c(-c2cc(=O)[nH][n-]2)nnc1N(C)[C@@H](C)C1CC1	ZINC001121663715	799063168	/nfs/dbraw/zinc/06/31/68/799063168.db2.gz	YLPKPNKLFPOREF-VIFPVBQESA-N	-1	0	288.355	0.923	20	30		CCEDRM
C=CCC[C@H](CO)NC(=O)NC[C@@H](CC)C(=O)[O-]	ZINC001121836494	799075709	/nfs/dbraw/zinc/07/57/09/799075709.db2.gz	QHOUZHNKBRSMJG-NXEZZACHSA-N	-1	0	258.318	0.724	20	30		CCEDRM
C=CCC[C@@H](CO)NC(=O)NC[C@H](CC)C(=O)[O-]	ZINC001121836495	799075772	/nfs/dbraw/zinc/07/57/72/799075772.db2.gz	QHOUZHNKBRSMJG-UWVGGRQHSA-N	-1	0	258.318	0.724	20	30		CCEDRM
C=CC[C@H](CO)CNC(=O)NC[C@H](CC)C(=O)[O-]	ZINC001121917445	799093173	/nfs/dbraw/zinc/09/31/73/799093173.db2.gz	KJBLJTOPCTXOEC-UWVGGRQHSA-N	-1	0	258.318	0.581	20	30		CCEDRM
C=CC[C@@H]1CCCN(C(=O)[C@@]2(C(=O)[O-])C[NH2+]CCO2)C1	ZINC001122062930	799132987	/nfs/dbraw/zinc/13/29/87/799132987.db2.gz	QVHMHCSXIVIRRT-BXUZGUMPSA-N	-1	0	282.340	0.244	20	30		CCEDRM
C#C[C@@H](C)N(C)c1nnc(-c2c[nH][nH]c2=O)n1CCOC	ZINC001122243899	799178273	/nfs/dbraw/zinc/17/82/73/799178273.db2.gz	IIZGVGBSCNRKHK-SECBINFHSA-N	-1	0	290.327	0.478	20	30		CCEDRM
COCCCNC(=O)C(C#N)=C([O-])c1ocnc1C	ZINC001122415133	799227570	/nfs/dbraw/zinc/22/75/70/799227570.db2.gz	OUHBRSSLGVBDNG-VIFPVBQESA-N	-1	0	265.269	0.458	20	30		CCEDRM
CCc1cccc(C([O-])=C(C#N)C(=O)NCCOC)n1	ZINC001122541376	799259442	/nfs/dbraw/zinc/25/94/42/799259442.db2.gz	QRSXMGKENJUGAD-LLVKDONJSA-N	-1	0	275.308	0.729	20	30		CCEDRM
C=C(C)C(=O)N(CCC[NH3+])C[C@H](S)OP(=O)([O-])[O-]	ZINC001142519233	800128273	/nfs/dbraw/zinc/12/82/73/800128273.db2.gz	XDADHCRAGLYJDV-QMMMGPOBSA-N	-1	0	298.301	0.105	20	30		CCEDRM
Cn1nncc1NC(=O)c1cc(=O)c2cc(C#N)ccc2[n-]1	ZINC001154553057	800799376	/nfs/dbraw/zinc/79/93/76/800799376.db2.gz	MFWLRHNCAJZNKY-UHFFFAOYSA-N	-1	0	294.274	0.781	20	30		CCEDRM
CCc1nc(C#N)c(C#N)nc1N[C@H]1SC(=O)[N-]C1=O	ZINC001155846128	801065903	/nfs/dbraw/zinc/06/59/03/801065903.db2.gz	JINFFHUEJFIEBJ-JTQLQIEISA-N	-1	0	288.292	0.503	20	30		CCEDRM
CSc1ncc(C#N)c(N[C@@H]2SC(=O)[N-]C2=O)n1	ZINC001163661967	802583718	/nfs/dbraw/zinc/58/37/18/802583718.db2.gz	IESVHAXGVHQJRV-SSDOTTSWSA-N	-1	0	281.322	0.213	20	30		CCEDRM
N#Cc1nc(NC(=O)c2ncccc2F)[n-]c1C#N	ZINC001163736848	802601764	/nfs/dbraw/zinc/60/17/64/802601764.db2.gz	FDYOAHORTYJCGA-UHFFFAOYSA-N	-1	0	256.200	0.939	20	30		CCEDRM
C=C[C@@H](C)O[N-]C(=O)Cn1nnnc1-c1ccccc1	ZINC001164415065	802738259	/nfs/dbraw/zinc/73/82/59/802738259.db2.gz	WCVNTJDGBGYVLI-SNVBAGLBSA-N	-1	0	273.296	0.962	20	30		CCEDRM
C=CCOCCNS(=O)(=O)[C@@H]1CCC[C@H]1C(=O)[O-]	ZINC001465107967	804094393	/nfs/dbraw/zinc/09/43/93/804094393.db2.gz	WFCLUSTZJIOJHN-NXEZZACHSA-N	-1	0	277.342	0.362	20	30		CCEDRM
C=CCC[C@@H](NC(=O)NCc1ccn(C)n1)C(=O)[O-]	ZINC000316183928	804678422	/nfs/dbraw/zinc/67/84/22/804678422.db2.gz	XEOGGBDSNXCCKN-SNVBAGLBSA-N	-1	0	266.301	0.639	20	30		CCEDRM
N#Cc1ccnc(COC(=O)[C@H](O)CCC(=O)[O-])c1	ZINC001223361422	804967203	/nfs/dbraw/zinc/96/72/03/804967203.db2.gz	KHMWSGAWZFOZOK-SNVBAGLBSA-N	-1	0	264.237	0.222	20	30		CCEDRM
N#Cc1ccc(OCCOC(=O)[C@@H](O)CC(=O)[O-])cc1	ZINC001224287173	805023287	/nfs/dbraw/zinc/02/32/87/805023287.db2.gz	UWBHRYIZWBDCBG-NSHDSACASA-N	-1	0	279.248	0.316	20	30		CCEDRM
N#Cc1ccc(OCCOC(=O)[C@H](O)CCC(=O)[O-])cc1	ZINC001224286862	805023516	/nfs/dbraw/zinc/02/35/16/805023516.db2.gz	OYGOQJLZDWSJTC-GFCCVEGCSA-N	-1	0	293.275	0.706	20	30		CCEDRM
C=CCOC[C@@H](CS(=O)(=O)[O-])OCCC(OC)OC	ZINC001224340655	805028574	/nfs/dbraw/zinc/02/85/74/805028574.db2.gz	BWKLOGAULURSMY-JTQLQIEISA-N	-1	0	298.357	0.471	20	30		CCEDRM
N#Cc1cc(OC(=O)[C@H](O)CC(=O)[O-])ccc1F	ZINC001225820903	805165688	/nfs/dbraw/zinc/16/56/88/805165688.db2.gz	SZIOOQSHVJTMOX-SECBINFHSA-N	-1	0	253.185	0.438	20	30		CCEDRM
Cc1cc(=O)[n-]c(O[C@H]2CCN(CC#N)C2)c1C#N	ZINC001226223597	805207592	/nfs/dbraw/zinc/20/75/92/805207592.db2.gz	RWRMSMUKFTXUKT-JTQLQIEISA-N	-1	0	258.281	0.944	20	30		CCEDRM
N#CCCN1CC(Oc2nc(=O)[n-]cc2[N+](=O)[O-])C1	ZINC001226337297	805222071	/nfs/dbraw/zinc/22/20/71/805222071.db2.gz	WXIUUKLBUQJMMT-UHFFFAOYSA-N	-1	0	265.229	0.067	20	30		CCEDRM
N#Cc1ccnc(N2CCC(Oc3c([O-])c(=O)c3=O)CC2)c1	ZINC001226608087	805254400	/nfs/dbraw/zinc/25/44/00/805254400.db2.gz	VMEIGEXZZCLMKS-UHFFFAOYSA-N	-1	0	299.286	0.303	20	30		CCEDRM
C=CCOC[C@@H](CS(=O)(=O)[O-])Oc1ncccn1	ZINC001226768206	805278282	/nfs/dbraw/zinc/27/82/82/805278282.db2.gz	NDLOPGQBFKLVAN-VIFPVBQESA-N	-1	0	274.298	0.314	20	30		CCEDRM
C=CCOC[C@H](CS(=O)(=O)[O-])Oc1ncccn1	ZINC001226768205	805278631	/nfs/dbraw/zinc/27/86/31/805278631.db2.gz	NDLOPGQBFKLVAN-SECBINFHSA-N	-1	0	274.298	0.314	20	30		CCEDRM
CC#C[C@@H](CC)Oc1[n-]c(=O)nc2c(=O)[n-]c(=O)[nH]c12	ZINC001226884783	805290820	/nfs/dbraw/zinc/29/08/20/805290820.db2.gz	CJUSOPVONAKWNT-ZCFIWIBFSA-N	-1	0	276.252	0.717	20	30		CCEDRM
C#C[C@H](Oc1[n-]c(=O)nc2nc[nH]c21)C(=O)OCC	ZINC001227068628	805319697	/nfs/dbraw/zinc/31/96/97/805319697.db2.gz	BLDCATYDKFWQPU-LURJTMIESA-N	-1	0	262.225	0.002	20	30		CCEDRM
CC[C@@H](C#CC(=O)OC)Oc1[n-]c(=O)nc2[nH]ccc21	ZINC001227272975	805339138	/nfs/dbraw/zinc/33/91/38/805339138.db2.gz	HAZRXZNDNILJLN-QMMMGPOBSA-N	-1	0	275.264	0.997	20	30		CCEDRM
N#Cc1ccc(O)c(OC(=O)[C@@H](O)CC(=O)[O-])c1	ZINC001227345642	805344155	/nfs/dbraw/zinc/34/41/55/805344155.db2.gz	OUSIUXRQMWRJRN-QMMMGPOBSA-N	-1	0	251.194	0.005	20	30		CCEDRM
C=CCOCC(COCC=C)Oc1nnc(C(=O)OC)[n-]1	ZINC001228312544	805434530	/nfs/dbraw/zinc/43/45/30/805434530.db2.gz	UAALQSOKTZOXFK-UHFFFAOYSA-N	-1	0	297.311	0.744	20	30		CCEDRM
CC[C@H]1OC(C)=C(Oc2nc(=O)cc(O)[n-]2)C1=O	ZINC001228389487	805442648	/nfs/dbraw/zinc/44/26/48/805442648.db2.gz	ZIKWXHUXJTUOCF-ZCFIWIBFSA-N	-1	0	252.226	0.876	20	30		CCEDRM
N#Cc1ccc(Cl)c(OC(=O)[C@@H](O)CC(=O)[O-])c1	ZINC001229247809	805515027	/nfs/dbraw/zinc/51/50/27/805515027.db2.gz	JDSQUKUHUNUJCS-QMMMGPOBSA-N	-1	0	269.640	0.953	20	30		CCEDRM
N/N=C/c1ccccc1OC(=O)[C@H](O)CCC(=O)[O-]	ZINC001229293214	805519201	/nfs/dbraw/zinc/51/92/01/805519201.db2.gz	KBTTTWWBBXPHIL-CULDGANSSA-N	-1	0	266.253	0.110	20	30		CCEDRM
Cc1nnc(OC(=O)[C@H](O)CCC(=O)[O-])c(C#N)c1C	ZINC001229439996	805534051	/nfs/dbraw/zinc/53/40/51/805534051.db2.gz	WCZATHJBWMLHRE-SECBINFHSA-N	-1	0	279.252	0.096	20	30		CCEDRM
C#CC[S@](=O)Cc1cn(CCCCC(=O)[O-])nn1	ZINC001254081804	808177654	/nfs/dbraw/zinc/17/76/54/808177654.db2.gz	VJTCLUNTOWIWBJ-SFHVURJKSA-N	-1	0	269.326	0.415	20	30		CCEDRM
N#Cc1ccc(-c2cn(CCOCC(=O)[O-])nn2)cc1	ZINC001254089549	808178955	/nfs/dbraw/zinc/17/89/55/808178955.db2.gz	JBEWURHWHDEFOB-UHFFFAOYSA-N	-1	0	272.264	0.918	20	30		CCEDRM
N#CCCCc1cn(CCOCCC(=O)[O-])nn1	ZINC001254090125	808179455	/nfs/dbraw/zinc/17/94/55/808179455.db2.gz	CHBLOLOJEPISIZ-UHFFFAOYSA-N	-1	0	252.274	0.616	20	30		CCEDRM
C#CCOCCOCc1cn(C2(C(=O)[O-])CC2)nn1	ZINC001254094951	808179955	/nfs/dbraw/zinc/17/99/55/808179955.db2.gz	CWWITISFMNQSNS-UHFFFAOYSA-N	-1	0	265.269	0.018	20	30		CCEDRM
C#CCOCc1cn(-c2cncc(C(=O)[O-])c2)nn1	ZINC001254095628	808181267	/nfs/dbraw/zinc/18/12/67/808181267.db2.gz	FWRVGBQTWILGJV-UHFFFAOYSA-N	-1	0	258.237	0.510	20	30		CCEDRM
C=C[C@H](COC)NC(=O)c1ccccc1[N-]S(C)(=O)=O	ZINC001255040316	808311170	/nfs/dbraw/zinc/31/11/70/808311170.db2.gz	AFNLXNRALKAWII-SNVBAGLBSA-N	-1	0	298.364	0.989	20	30		CCEDRM
N#Cc1ccc(S(=O)(=O)N[C@H]2SC(=O)[N-]C2=O)cc1	ZINC001258142790	808657988	/nfs/dbraw/zinc/65/79/88/808657988.db2.gz	BLYAOYGCCYSMCE-VIFPVBQESA-N	-1	0	297.317	0.146	20	30		CCEDRM
Cc1noc(C)c1S(=O)(=O)[N-]c1ccnc(C#N)c1	ZINC001258511209	808691962	/nfs/dbraw/zinc/69/19/62/808691962.db2.gz	LTKYYKSQWOFNER-UHFFFAOYSA-N	-1	0	278.293	0.781	20	30		CCEDRM
Cc1noc([N-]S(=O)(=O)c2cn(C)cn2)c1C#N	ZINC001258992582	808707342	/nfs/dbraw/zinc/70/73/42/808707342.db2.gz	ZXDORMSVDLKUBL-UHFFFAOYSA-N	-1	0	267.270	0.389	20	30		CCEDRM
Cn1cnc(S(=O)(=O)[N-]c2cncc(C#N)c2)c1	ZINC001258992946	808708693	/nfs/dbraw/zinc/70/86/93/808708693.db2.gz	QQCDXAYACCAFPT-UHFFFAOYSA-N	-1	0	263.282	0.488	20	30		CCEDRM
Cn1cnc(C#N)c1[N-]S(=O)(=O)c1cccnc1	ZINC001259602503	808761883	/nfs/dbraw/zinc/76/18/83/808761883.db2.gz	FHENGNGNMFOORY-UHFFFAOYSA-N	-1	0	263.282	0.488	20	30		CCEDRM
Cn1cc([N-]S(=O)(=O)c2cccnc2)c(C#N)n1	ZINC001259602747	808762157	/nfs/dbraw/zinc/76/21/57/808762157.db2.gz	SSCNYSFEJUPTCJ-UHFFFAOYSA-N	-1	0	263.282	0.488	20	30		CCEDRM
N#CC1([N-]S(=O)(=O)c2nc3nc(Cl)ccn3n2)CC1	ZINC001260177816	808855013	/nfs/dbraw/zinc/85/50/13/808855013.db2.gz	MWHVQUZVTHMHTQ-UHFFFAOYSA-N	-1	0	298.715	0.112	20	30		CCEDRM
CC(=O)/C=C(/C)NS(=O)(=O)c1ccc(O)c(C(=O)[O-])c1	ZINC001260400790	808860186	/nfs/dbraw/zinc/86/01/86/808860186.db2.gz	FJLJMMVBTKGDNA-ALCCZGGFSA-N	-1	0	299.304	0.862	20	30		CCEDRM
C=C[C@@H](C)O[N-]C(=O)C(=O)Nc1ncn(C(C)C)n1	ZINC001261514796	809005272	/nfs/dbraw/zinc/00/52/72/809005272.db2.gz	MXZWGDKVJYQXTF-MRVPVSSYSA-N	-1	0	267.289	0.420	20	30		CCEDRM
CC[C@H](CNS(=O)(=O)c1ccc(C#N)nc1)C(=O)[O-]	ZINC000159651717	815263709	/nfs/dbraw/zinc/26/37/09/815263709.db2.gz	GAECRNHPOMJVLA-MRVPVSSYSA-N	-1	0	283.309	0.342	20	30		CCEDRM
C=CCO[C@@H]1CCN(C(=O)C[C@]2(C(=O)[O-])CCOC2)C1	ZINC001261901317	809124957	/nfs/dbraw/zinc/12/49/57/809124957.db2.gz	UUAOYZHYUSLXBG-BXUZGUMPSA-N	-1	0	283.324	0.671	20	30		CCEDRM
C=CC[C@H](NC(=O)N[C@@H](COC)[C@@H]1CCCO1)C(=O)[O-]	ZINC001262210002	809244374	/nfs/dbraw/zinc/24/43/74/809244374.db2.gz	ISAJIERXHWUBDO-DCAQKATOSA-N	-1	0	286.328	0.509	20	30		CCEDRM
CNC(=O)C(C#N)=C([O-])c1cnc(COC)s1	ZINC001263294450	809504388	/nfs/dbraw/zinc/50/43/88/809504388.db2.gz	XWXHBFCEZCVAEU-LURJTMIESA-N	-1	0	253.283	0.358	20	30		CCEDRM
C#CCO[C@H](C)C(=O)N1CC[C@@H]([C@@H](F)C(=O)[O-])C1	ZINC001263632377	809545070	/nfs/dbraw/zinc/54/50/70/809545070.db2.gz	NHIFJSHQACHMHD-OPRDCNLKSA-N	-1	0	257.261	0.296	20	30		CCEDRM
C=CCOC[C@H](CS(=O)(=O)[O-])OC[C@H]1CCCOC1	ZINC001224648663	815402683	/nfs/dbraw/zinc/40/26/83/815402683.db2.gz	CYNOUPVIGNMCGY-NWDGAFQWSA-N	-1	0	294.369	0.889	20	30		CCEDRM
C=CCNC(=O)CNC(=O)[C@H]1CCC[C@H](C(=O)[O-])C1	ZINC000393823518	811477740	/nfs/dbraw/zinc/47/77/40/811477740.db2.gz	LCEAYZFWPNMPSA-UWVGGRQHSA-N	-1	0	268.313	0.296	20	30		CCEDRM
C=CC[C@H](NC(=O)NCc1ccn(C)n1)C(=O)[O-]	ZINC000212194975	812028067	/nfs/dbraw/zinc/02/80/67/812028067.db2.gz	DJFRKQKEUSYZGG-VIFPVBQESA-N	-1	0	252.274	0.249	20	30		CCEDRM
C=C(C)CCC(=O)N[C@@]1(C)CCN(Cc2n[nH]c(=O)[n-]2)C1	ZINC001270591368	813829327	/nfs/dbraw/zinc/82/93/27/813829327.db2.gz	YOHOBMRJLHZUCE-AWEZNQCLSA-N	-1	0	293.371	0.947	20	30		CCEDRM
C#C[C@@H](Oc1[n-]c(=S)nnc1C)C(=O)OCC	ZINC001227599855	814432491	/nfs/dbraw/zinc/43/24/91/814432491.db2.gz	AXKCINRTZQFGEN-SSDOTTSWSA-N	-1	0	253.283	0.412	20	30		CCEDRM
C#C[C@@H](CCC)NC(=O)C1(C(=O)[O-])CCOCC1	ZINC000689305210	814739996	/nfs/dbraw/zinc/73/99/96/814739996.db2.gz	YLPKHZFZKOJADT-JTQLQIEISA-N	-1	0	253.298	0.786	20	30		CCEDRM
C#CCC[N@H+]1CC[C@@H](N(C)C(=O)c2ncccc2O)C1	ZINC001033036574	818450731	/nfs/dbraw/zinc/45/07/31/818450731.db2.gz	RIHRRPGVZPEERY-GFCCVEGCSA-N	-1	0	273.336	0.957	20	30		CCEDRM
C=CC(C)(C)CCNC(=O)N1C[C@H](O)C[C@@H]1C(=O)[O-]	ZINC000701865720	819019205	/nfs/dbraw/zinc/01/92/05/819019205.db2.gz	VUJUUOLPDDLAGW-NXEZZACHSA-N	-1	0	270.329	0.818	20	30		CCEDRM
C#CCOc1ccc(C(=O)N=c2nn[n-]n2CC)cc1	ZINC001128872737	819109163	/nfs/dbraw/zinc/10/91/63/819109163.db2.gz	KEJZCIHZHTTYHD-UHFFFAOYSA-N	-1	0	271.280	0.379	20	30		CCEDRM
C=CCOCCNC(=O)C1(C(=O)[O-])CCSCC1	ZINC000706804715	819684983	/nfs/dbraw/zinc/68/49/83/819684983.db2.gz	NUNREVAOOWYBKG-UHFFFAOYSA-N	-1	0	273.354	0.903	20	30		CCEDRM
C=CCCS(=O)(=O)N1C[C@H]2COCC[C@@]2(C(=O)[O-])C1	ZINC000710580293	819856629	/nfs/dbraw/zinc/85/66/29/819856629.db2.gz	NXFLLFHRHKHRCS-CMPLNLGQSA-N	-1	0	289.353	0.315	20	30		CCEDRM
C=C[C@@H](C)O[N-]C(=O)C(=O)Nc1cc(C)nn1CCC#N	ZINC001118312970	820331008	/nfs/dbraw/zinc/33/10/08/820331008.db2.gz	IYNAMUMTYPYBST-SNVBAGLBSA-N	-1	0	291.311	0.666	20	30		CCEDRM
C=CCN1C[C@H]2OCCN(C(=O)c3n[nH]c(C)c3[O-])[C@H]2C1	ZINC001083052106	821127894	/nfs/dbraw/zinc/12/78/94/821127894.db2.gz	BRZALXJEKJSGAJ-WDEREUQCSA-N	-1	0	292.339	0.135	20	30		CCEDRM
C[C@H]1CN(O)C(=O)[C@H]1NC(=O)NCCC(F)(F)F	ZINC001187039610	844639012	/nfs/dbraw/zinc/63/90/12/844639012.db2.gz	OZNBEYMZPJESJL-WDSKDSINSA-N	-1	0	269.223	0.474	20	30		CCEDRM
C[C@H](NCc1cc(=O)n2[n-]cc(C#N)c2n1)c1cn[nH]c1	ZINC001169065259	836121595	/nfs/dbraw/zinc/12/15/95/836121595.db2.gz	NBOJWXHJFJRDDL-QMMMGPOBSA-N	-1	0	283.295	0.880	20	30		CCEDRM
NC(=O)c1cnoc1NC(=O)CCC(=O)C1=CC=C[CH]1	ZINC001184240515	844185914	/nfs/dbraw/zinc/18/59/14/844185914.db2.gz	AFOQYECIRKANDA-UHFFFAOYSA-N	-1	0	274.256	0.762	20	30		CCEDRM
O=C(CCC(=O)N1CCn2nncc2C1)C1=CC=C[CH]1	ZINC001184244698	844187903	/nfs/dbraw/zinc/18/79/03/844187903.db2.gz	XVQUNLYOVFYGCI-UHFFFAOYSA-N	-1	0	271.300	0.670	20	30		CCEDRM
C[C@H]1COCCN1CCNC(=O)CCC(=O)C1=CC=C[CH]1	ZINC001184246569	844188857	/nfs/dbraw/zinc/18/88/57/844188857.db2.gz	WKCHOQHMBDVHDS-ZDUSSCGKSA-N	-1	0	291.371	0.873	20	30		CCEDRM
CC(=O)[N-]S(=O)(=O)c1ccc(N(C)[C@@H](C)C#N)nc1	ZINC001157490217	837047922	/nfs/dbraw/zinc/04/79/22/837047922.db2.gz	GFTHBTOVHDYSHY-QMMMGPOBSA-N	-1	0	282.325	0.255	20	30		CCEDRM
C=C1CC(C)(C(=O)N[C@@H](CCC(=O)[O-])C(=O)OC)C1	ZINC001184793310	844288962	/nfs/dbraw/zinc/28/89/62/844288962.db2.gz	DCBDKTTWLBXTRR-VIFPVBQESA-N	-1	0	269.297	0.865	20	30		CCEDRM
CN=c1[n-]nc(SCC(=O)NCCC#N)s1	ZINC000390459307	839592073	/nfs/dbraw/zinc/59/20/73/839592073.db2.gz	FDGRWTUNWBNYOV-UHFFFAOYSA-N	-1	0	257.344	0.124	20	30		CCEDRM
C=CCNS(=O)(=O)c1ccc([O-])c([N+](=O)[O-])c1	ZINC000036904752	841289473	/nfs/dbraw/zinc/28/94/73/841289473.db2.gz	DKIMAZILHQSMJP-UHFFFAOYSA-N	-1	0	258.255	0.765	20	30		CCEDRM
CO/N=C(\C(=O)N[C@@H]1SC(=O)[N-]C1=O)c1ccco1	ZINC001177353531	842563277	/nfs/dbraw/zinc/56/32/77/842563277.db2.gz	PCSIMQROZZMDEQ-JHFYRWCBSA-N	-1	0	283.265	0.055	20	30		CCEDRM
Cn1ccc(C(=O)N2CCOC[C@@H]2C#N)c1CC(=O)[O-]	ZINC001177364715	842568350	/nfs/dbraw/zinc/56/83/50/842568350.db2.gz	GZJXAYUOIQEGTQ-VIFPVBQESA-N	-1	0	277.280	0.017	20	30		CCEDRM
COc1ccc(NC(=N[O-])c2nonc2N)c(C#N)c1	ZINC001212778918	842766181	/nfs/dbraw/zinc/76/61/81/842766181.db2.gz	JCJLDWURVGPJQV-UHFFFAOYSA-N	-1	0	274.240	0.780	20	30		CCEDRM
CC(=O)/C=C(/C)NC(=O)C(F)(F)C(F)(F)C(=O)[O-]	ZINC001180175799	843110053	/nfs/dbraw/zinc/11/00/53/843110053.db2.gz	DLEPYQRMUQDKBK-ARJAWSKDSA-N	-1	0	271.166	0.951	20	30		CCEDRM
Cc1[nH]nc(C(=O)N2C[C@@H](C)[C@](C)(CNCC#N)C2)c1[O-]	ZINC001181135662	843413517	/nfs/dbraw/zinc/41/35/17/843413517.db2.gz	OODFLSBAOJBWRF-YMTOWFKASA-N	-1	0	291.355	0.635	20	30		CCEDRM
N#Cc1cccc2[nH]cc(CC(=O)NCc3nnn[n-]3)c21	ZINC001182583653	843865514	/nfs/dbraw/zinc/86/55/14/843865514.db2.gz	RQBLAPGWIVFHMG-UHFFFAOYSA-N	-1	0	281.279	0.412	20	30		CCEDRM
N#Cc1cc(NC(=O)[C@H]2CCNC2=O)c([O-])cc1F	ZINC001183010034	843949885	/nfs/dbraw/zinc/94/98/85/843949885.db2.gz	CGECEYWYDUJURM-ZETCQYMHSA-N	-1	0	263.228	0.478	20	30		CCEDRM
N#Cc1cc(O)ccc1[N-]S(=O)(=O)c1c[nH]cn1	ZINC001187762129	844767031	/nfs/dbraw/zinc/76/70/31/844767031.db2.gz	KEYHKZYLIUGGHN-UHFFFAOYSA-N	-1	0	264.266	0.788	20	30		CCEDRM
COc1ccnc(C(N)=NC(=O)c2ccncc2[O-])n1	ZINC001188638334	844943194	/nfs/dbraw/zinc/94/31/94/844943194.db2.gz	LUTOMIBZYNQYMN-UHFFFAOYSA-N	-1	0	273.252	0.132	20	30		CCEDRM
N#CCc1cccc(C(=O)NCC(=O)CCC(=O)[O-])c1	ZINC001188688337	844950567	/nfs/dbraw/zinc/95/05/67/844950567.db2.gz	UQXJFRBQWDUMPE-UHFFFAOYSA-N	-1	0	274.276	0.916	20	30		CCEDRM
C#Cc1ccc(C(=O)N[C@H]2SC(=O)[N-]C2=O)cc1	ZINC001188738990	844965469	/nfs/dbraw/zinc/96/54/69/844965469.db2.gz	BYRLNTWJXMTIKP-NSHDSACASA-N	-1	0	260.274	0.707	20	30		CCEDRM
CC(C)(C#N)[N-]S(=O)(=O)c1ncc(F)cc1F	ZINC001190192493	845349743	/nfs/dbraw/zinc/34/97/43/845349743.db2.gz	PKFJLCQXTVDXIQ-UHFFFAOYSA-N	-1	0	261.253	0.940	20	30		CCEDRM
N#CC1CN(S(=O)(=O)c2ccc(OCC(=O)[O-])cc2)C1	ZINC001192678114	845891868	/nfs/dbraw/zinc/89/18/68/845891868.db2.gz	FBHMEJOJPBQIIU-UHFFFAOYSA-N	-1	0	296.304	0.294	20	30		CCEDRM
N#CCS(=O)(=O)[N-]c1ncccc1CN1CCOCC1	ZINC001192942891	845929990	/nfs/dbraw/zinc/92/99/90/845929990.db2.gz	FMFJXLZTVOIRNE-UHFFFAOYSA-N	-1	0	296.352	0.179	20	30		CCEDRM
C=CCn1cnc2c1ncnc2[N-]S(=O)(=O)CC#N	ZINC001192942767	845930458	/nfs/dbraw/zinc/93/04/58/845930458.db2.gz	ATKKEJYDLZUNJJ-UHFFFAOYSA-N	-1	0	278.297	0.278	20	30		CCEDRM
N#CCS(=O)(=O)[N-]c1nnc(Br)s1	ZINC001192934973	845940704	/nfs/dbraw/zinc/94/07/04/845940704.db2.gz	HAIQPXORBWMEMR-UHFFFAOYSA-N	-1	0	283.132	0.566	20	30		CCEDRM
N#CCS(=O)(=O)[N-]c1csc2nccnc12	ZINC001192939804	845943191	/nfs/dbraw/zinc/94/31/91/845943191.db2.gz	ZBNYESJDJTYTHH-UHFFFAOYSA-N	-1	0	254.296	0.957	20	30		CCEDRM
COC(=O)c1cc(Cl)cnc1[N-]S(=O)(=O)CC#N	ZINC001192939520	845943285	/nfs/dbraw/zinc/94/32/85/845943285.db2.gz	SDMKAVDQAGDGDF-UHFFFAOYSA-N	-1	0	289.700	0.787	20	30		CCEDRM
COC(=O)Cc1ccc(F)c([N-]S(=O)(=O)CC#N)c1	ZINC001192985369	845944850	/nfs/dbraw/zinc/94/48/50/845944850.db2.gz	BNCXKTSUCQNMKG-UHFFFAOYSA-N	-1	0	286.284	0.806	20	30		CCEDRM
C[C@@H](C#N)S(=O)(=O)[N-]c1cnn2ccccc12	ZINC001193112406	845981078	/nfs/dbraw/zinc/98/10/78/845981078.db2.gz	STXWQIBZQARBRD-QMMMGPOBSA-N	-1	0	250.283	0.988	20	30		CCEDRM
CCOc1cc(C(N)=O)ccc1[N-]S(=O)(=O)[C@H](C)C#N	ZINC001193139743	846003520	/nfs/dbraw/zinc/00/35/20/846003520.db2.gz	LRWZHJANWZJLCK-MRVPVSSYSA-N	-1	0	297.336	0.838	20	30		CCEDRM
C[C@@H](C#N)S(=O)(=O)[N-]c1cc(F)cc2c1NC(=O)C2	ZINC001193148705	846004375	/nfs/dbraw/zinc/00/43/75/846004375.db2.gz	CTKWBKDYBWZFQA-LURJTMIESA-N	-1	0	283.284	0.974	20	30		CCEDRM
N#Cc1ccncc1[N-]S(=O)(=O)C[C@H]1CCCO1	ZINC001193206161	846019870	/nfs/dbraw/zinc/01/98/70/846019870.db2.gz	RLYLQTOXVHECSX-SNVBAGLBSA-N	-1	0	267.310	0.874	20	30		CCEDRM
N#Cc1c(N)nn(C(=O)c2ccc(O)c([O-])c2Cl)c1N	ZINC001193218577	846023326	/nfs/dbraw/zinc/02/33/26/846023326.db2.gz	BLGROPUHBLKZMQ-UHFFFAOYSA-N	-1	0	293.670	0.672	20	30		CCEDRM
Cc1[nH][nH]c2ncnc(=NC(=O)c3ccc([O-])c(C#N)c3)c1-2	ZINC001193499761	846093297	/nfs/dbraw/zinc/09/32/97/846093297.db2.gz	UWVBKKZYBMRJQR-UHFFFAOYSA-N	-1	0	294.274	0.864	20	30		CCEDRM
CCN=c1ncc(N)cn1C(=O)c1ccc([O-])c(C#N)c1	ZINC001193499433	846094072	/nfs/dbraw/zinc/09/40/72/846094072.db2.gz	RILFZFXHMCVTBA-UHFFFAOYSA-N	-1	0	283.291	0.652	20	30		CCEDRM
N#Cc1cc(C(=O)Nc2[nH]c(=O)nc3nc[nH]c32)ccc1[O-]	ZINC001193515299	846102624	/nfs/dbraw/zinc/10/26/24/846102624.db2.gz	MHWJTHRVGXUGLV-UHFFFAOYSA-N	-1	0	296.246	0.888	20	30		CCEDRM
COC(=O)[C@@H]1C[C@H]1CNC(=O)c1ccc([O-])c(C#N)c1	ZINC001193514162	846103303	/nfs/dbraw/zinc/10/33/03/846103303.db2.gz	CCUJCQPFFBWKLI-WDEREUQCSA-N	-1	0	274.276	0.803	20	30		CCEDRM
Cn1ccc(CNC(=O)c2ccc([O-])c(C#N)c2)cc1=O	ZINC001193515806	846103545	/nfs/dbraw/zinc/10/35/45/846103545.db2.gz	STVXSRQBVFUAOU-UHFFFAOYSA-N	-1	0	283.287	0.893	20	30		CCEDRM
COc1ncccc1S(=O)(=O)[N-]c1ncn(C)c1C#N	ZINC001194680009	846355480	/nfs/dbraw/zinc/35/54/80/846355480.db2.gz	YPWUOJVHJBQZEZ-UHFFFAOYSA-N	-1	0	293.308	0.496	20	30		CCEDRM
C#CC[C@H](NC(=O)C[C@H]1CC(C)(C)CO1)C(=O)[O-]	ZINC000716948405	846443492	/nfs/dbraw/zinc/44/34/92/846443492.db2.gz	SFWKCACIALLAPU-UWVGGRQHSA-N	-1	0	253.298	0.784	20	30		CCEDRM
CCOC(=O)NC(=S)[N-]c1cnn(C)c1C#N	ZINC001195457689	846536136	/nfs/dbraw/zinc/53/61/36/846536136.db2.gz	DNDPRIUVCUQRCG-UHFFFAOYSA-N	-1	0	253.287	0.735	20	30		CCEDRM
N#Cc1ccc(C(=O)N[C@@H](CO)Cc2c[nH]cn2)c([O-])c1	ZINC001195764242	846613716	/nfs/dbraw/zinc/61/37/16/846613716.db2.gz	IDUSXRKWVYGSKS-LLVKDONJSA-N	-1	0	286.291	0.320	20	30		CCEDRM
N#Cc1ccc(C(=O)N[C@@H]2CCCNC(=O)C2)c([O-])c1	ZINC001195768677	846614865	/nfs/dbraw/zinc/61/48/65/846614865.db2.gz	PLPZWXSWJZGDLJ-SNVBAGLBSA-N	-1	0	273.292	0.662	20	30		CCEDRM
C#Cc1ccc([N-]S(=O)(=O)CC(=O)OCC)cn1	ZINC001195941087	846643827	/nfs/dbraw/zinc/64/38/27/846643827.db2.gz	CIDCCPJUYOWDOX-UHFFFAOYSA-N	-1	0	268.294	0.368	20	30		CCEDRM
CCOC(=O)CS(=O)(=O)[N-]c1ccc(OC)cc1C#N	ZINC001195968304	846656427	/nfs/dbraw/zinc/65/64/27/846656427.db2.gz	XLZKSTXOUPNRII-UHFFFAOYSA-N	-1	0	298.320	0.872	20	30		CCEDRM
C#Cc1nccnc1[N-]S(=O)(=O)CCCC(=O)OC	ZINC001201903505	847831010	/nfs/dbraw/zinc/83/10/10/847831010.db2.gz	BSBUNYOOQYQVQF-UHFFFAOYSA-N	-1	0	283.309	0.153	20	30		CCEDRM
C=C(C)CCC(=O)N[C@@H]1[C@H]2CN(Cc3n[nH]c(=O)[n-]3)C[C@H]21	ZINC001114348837	848022767	/nfs/dbraw/zinc/02/27/67/848022767.db2.gz	QYCMCIYKNQPIPD-IWIIMEHWSA-N	-1	0	291.355	0.413	20	30		CCEDRM
O=C([O-])CC1(CC(=O)NCC#CCO)CCCC1	ZINC000717460829	848267273	/nfs/dbraw/zinc/26/72/73/848267273.db2.gz	WPSYKRGTXPUBBQ-UHFFFAOYSA-N	-1	0	253.298	0.524	20	30		CCEDRM
CC[C@H]1CN(C(=O)c2n[nH]c(C)c2[O-])CC[C@H]1NCC#N	ZINC001037819697	849592084	/nfs/dbraw/zinc/59/20/84/849592084.db2.gz	OYPPQFYEPJKZAE-WDEREUQCSA-N	-1	0	291.355	0.778	20	30		CCEDRM
Cc1[nH]nc(C(=O)N2CC[C@@H]3CCN(CC#N)[C@@H]3C2)c1[O-]	ZINC001042016467	850558451	/nfs/dbraw/zinc/55/84/51/850558451.db2.gz	PTQKJDYKTQOFDB-WDEREUQCSA-N	-1	0	289.339	0.484	20	30		CCEDRM
C#CCCN1CC(N(C)C(=O)c2n[nH]c(C)c2[O-])C1	ZINC001042619411	850714297	/nfs/dbraw/zinc/71/42/97/850714297.db2.gz	BPHJOUZPXIXYNW-UHFFFAOYSA-N	-1	0	262.313	0.203	20	30		CCEDRM
Cn1cnc([N-]S(=O)(=O)C2CCOCC2)c1C#N	ZINC001259909035	851567036	/nfs/dbraw/zinc/56/70/36/851567036.db2.gz	RZCAHQRDGCYONP-UHFFFAOYSA-N	-1	0	270.314	0.212	20	30		CCEDRM
C#CC[C@@H](NC(=O)c1cnc2cc(C)nn2c1C)C(=O)[O-]	ZINC000149889110	854007374	/nfs/dbraw/zinc/00/73/74/854007374.db2.gz	FZPFINPSIGFZKL-LLVKDONJSA-N	-1	0	286.291	0.552	20	30		CCEDRM
C#CC[C@H](NC(=O)[C@H]1Oc2ccccc2O[C@H]1C)C(=O)[O-]	ZINC000149962545	854009763	/nfs/dbraw/zinc/00/97/63/854009763.db2.gz	OCDHLCSGPKJLLC-KWBADKCTSA-N	-1	0	289.287	0.808	20	30		CCEDRM
Cc1n[nH]c(C(=O)N[C@@H]2CC[C@H](C)N(CC#N)C2)c1[O-]	ZINC001071441013	854197229	/nfs/dbraw/zinc/19/72/29/854197229.db2.gz	VJVIDMDVXXTGPL-WCBMZHEXSA-N	-1	0	277.328	0.530	20	30		CCEDRM
C=CCN(CC(=O)[O-])C(=O)NCc1conc1C	ZINC000397992852	854457251	/nfs/dbraw/zinc/45/72/51/854457251.db2.gz	MEGZOQZOVPUDEG-UHFFFAOYSA-N	-1	0	253.258	0.765	20	30		CCEDRM
N#Cc1ccnc(/C=C/c2cn(CC(=O)[O-])nn2)c1	ZINC001116868598	855852476	/nfs/dbraw/zinc/85/24/76/855852476.db2.gz	FOFDUSVEIVYYQS-OWOJBTEDSA-N	-1	0	255.237	0.800	20	30		CCEDRM
C=CC[C@H](NC(=O)CNC(=O)Cc1ccccc1)C(=O)[O-]	ZINC001116906909	855862058	/nfs/dbraw/zinc/86/20/58/855862058.db2.gz	YJLLFANHRXXOOZ-LBPRGKRZSA-N	-1	0	290.319	0.491	20	30		CCEDRM
Cc1[nH]c(C#N)cc1C(=O)[N-]S(=O)(=O)C(F)F	ZINC001117782820	856078878	/nfs/dbraw/zinc/07/88/78/856078878.db2.gz	SCUWDMPAFKVWCH-UHFFFAOYSA-N	-1	0	263.225	0.477	20	30		CCEDRM
N#CCCCCNC(=O)C[C@@]1(C(=O)[O-])CCOC1	ZINC001118419654	856293352	/nfs/dbraw/zinc/29/33/52/856293352.db2.gz	DDWOFOMUJQYLDX-LBPRGKRZSA-N	-1	0	254.286	0.678	20	30		CCEDRM
N#CC1(C(=O)NCC2(C(=O)[O-])CC2)CCOCC1	ZINC001118752692	856423946	/nfs/dbraw/zinc/42/39/46/856423946.db2.gz	NHJZJDPMZNVVQZ-UHFFFAOYSA-N	-1	0	252.270	0.288	20	30		CCEDRM
C=CCO[C@@H]1CCN(Cc2cc(C(=O)[O-])nn2C)C1	ZINC001119035803	856535920	/nfs/dbraw/zinc/53/59/20/856535920.db2.gz	BYHNGZVKDMHOSG-LLVKDONJSA-N	-1	0	265.313	0.895	20	30		CCEDRM
C=C(CC)CNC(=O)C(=O)N[C@H]1C[C@@H](C(=O)[O-])C1	ZINC001119393628	856667103	/nfs/dbraw/zinc/66/71/03/856667103.db2.gz	KFLONXGTZCSUTD-DTORHVGOSA-N	-1	0	254.286	0.048	20	30		CCEDRM
C=CC(C)(C)CC(=O)[N-]S(=O)(=O)[C@H](C)C(=O)OC	ZINC001119485121	856701497	/nfs/dbraw/zinc/70/14/97/856701497.db2.gz	CSOBBTHQDVGLBT-MRVPVSSYSA-N	-1	0	277.342	0.596	20	30		CCEDRM
C=CC[C@H](NC(=O)NCC(C)(C)N1CCOCC1)C(=O)[O-]	ZINC001119576535	856748844	/nfs/dbraw/zinc/74/88/44/856748844.db2.gz	BFCAQSRHPAOMOA-NSHDSACASA-N	-1	0	299.371	0.426	20	30		CCEDRM
CC[C@@H](NS(=O)(=O)CC1(C#N)CCC1)C(=O)[O-]	ZINC001595307242	980464842	/nfs/dbraw/zinc/46/48/42/980464842.db2.gz	XKHWZQHYPLNIHG-MRVPVSSYSA-N	-1	0	260.315	0.463	20	30		CCEDRM
C=CCS(=O)(=O)[N-]C(=O)c1cnc(C)nc1C1CC1	ZINC001344536177	893094340	/nfs/dbraw/zinc/09/43/40/893094340.db2.gz	VJNJNTNGBVILSU-UHFFFAOYSA-N	-1	0	281.337	0.908	20	30		CCEDRM
C=CC[C@H](NC(=O)c1cn(C2CCC2)nn1)C(=O)[O-]	ZINC001326372041	913917735	/nfs/dbraw/zinc/91/77/35/913917735.db2.gz	WWIGOLAVMNJKNE-VIFPVBQESA-N	-1	0	264.285	0.762	20	30		CCEDRM
CC[C@H](C[C@@H](C)CO)Nc1[n-]c(=O)n(C)c(=O)c1C#N	ZINC001364540462	898213087	/nfs/dbraw/zinc/21/30/87/898213087.db2.gz	APNHSFHGHHUOSM-RKDXNWHRSA-N	-1	0	280.328	0.154	20	30		CCEDRM
C[C@@H](C#N)S(=O)(=O)[N-]c1nnc(-c2ccco2)o1	ZINC001193106638	900031764	/nfs/dbraw/zinc/03/17/64/900031764.db2.gz	UYEZYCREGFYFKW-LURJTMIESA-N	-1	0	268.254	0.983	20	30		CCEDRM
COC(=O)c1cc([N-]S(=O)(=O)[C@@H](C)C#N)cnc1OC	ZINC001193110745	900034306	/nfs/dbraw/zinc/03/43/06/900034306.db2.gz	BSATWBTWAPXEGH-ZETCQYMHSA-N	-1	0	299.308	0.531	20	30		CCEDRM
COC(=O)[C@H](C)CNC(=O)c1[n-]c(=O)c(C#N)cc1C	ZINC001411708341	901208767	/nfs/dbraw/zinc/20/87/67/901208767.db2.gz	SVMASGFVAUQFJF-MRVPVSSYSA-N	-1	0	277.280	0.506	20	30		CCEDRM
C[C@@H](CC#N)N(C)C(=O)c1cccc(-n2[n-]nnc2=N)c1	ZINC001411757414	901233075	/nfs/dbraw/zinc/23/30/75/901233075.db2.gz	CAEHWHZVZDAYQB-VIFPVBQESA-N	-1	0	285.311	0.449	20	30		CCEDRM
Cc1cnn(C)c1S(=O)(=O)[N-]C(=O)CCCCC#N	ZINC001327096943	902030064	/nfs/dbraw/zinc/03/00/64/902030064.db2.gz	LSSZGKLCXZTIIF-UHFFFAOYSA-N	-1	0	284.341	0.617	20	30		CCEDRM
Cc1cc(C#N)c(=O)[n-]c1C(=O)N[C@@H](CO)[C@@H]1CCOC1	ZINC001412792077	902128235	/nfs/dbraw/zinc/12/82/35/902128235.db2.gz	YXWVTYYUWKRQIH-KOLCDFICSA-N	-1	0	291.307	0.095	20	30		CCEDRM
Cn1c(=O)[n-]c(N2CCC(C)(C#N)CC2)c(C#N)c1=O	ZINC001412883994	902328189	/nfs/dbraw/zinc/32/81/89/902328189.db2.gz	XCCPSNGWVBVVPL-UHFFFAOYSA-N	-1	0	273.296	0.075	20	30		CCEDRM
COCn1ccc(C(=O)Nc2nc(C#N)c(C#N)[n-]2)n1	ZINC001413195419	902774559	/nfs/dbraw/zinc/77/45/59/902774559.db2.gz	PWIZTBMTPSEDSG-UHFFFAOYSA-N	-1	0	271.240	0.206	20	30		CCEDRM
Cc1nc(C(=O)N2CC[C@@H](c3nnn[n-]3)C2)ccc1C#N	ZINC001413473729	902978799	/nfs/dbraw/zinc/97/87/99/902978799.db2.gz	XBIQJMBDSOIRIQ-SNVBAGLBSA-N	-1	0	283.295	0.405	20	30		CCEDRM
Cn1c(=O)[n-]c(N2CCC(C)(C)CC2)c(C#N)c1=O	ZINC001337767887	921291618	/nfs/dbraw/zinc/29/16/18/921291618.db2.gz	AZQXRABHFDSFJL-UHFFFAOYSA-N	-1	0	262.313	0.572	20	30		CCEDRM
N#Cc1c[n-]c(=O)n(Cc2ncccc2Cl)c1=O	ZINC001307359522	908306917	/nfs/dbraw/zinc/30/69/17/908306917.db2.gz	IKVNLJKAELRQMC-UHFFFAOYSA-N	-1	0	262.656	0.505	20	30		CCEDRM
CCOC(=O)c1cc(CN[C@H]2CCCN(O)C2=O)[nH]n1	ZINC001308843757	908439501	/nfs/dbraw/zinc/43/95/01/908439501.db2.gz	OBVBKCMCTRERHW-VIFPVBQESA-N	-1	0	282.300	0.056	20	30		CCEDRM
C=C(C)CS(=O)(=O)[N-]CC(F)(F)C(=O)OC	ZINC001309924577	908481689	/nfs/dbraw/zinc/48/16/89/908481689.db2.gz	QURCVSYQKNSHLD-UHFFFAOYSA-N	-1	0	257.258	0.290	20	30		CCEDRM
C=C[C@H](COC)NC(=O)c1c[nH]c2nc(=O)[n-]c(=O)c-2c1	ZINC001320327294	910614340	/nfs/dbraw/zinc/61/43/40/910614340.db2.gz	DPJYLVSXFQBMBX-MRVPVSSYSA-N	-1	0	290.279	0.367	20	30		CCEDRM
CC1(C)C[C@@H]1NC(=O)CCn1cc(C#N)c(=O)[n-]c1=O	ZINC001417955884	921731799	/nfs/dbraw/zinc/73/17/99/921731799.db2.gz	IUXZEEKOEBIKNH-VIFPVBQESA-N	-1	0	276.296	0.125	20	30		CCEDRM
C#CC[C@H](NC(=O)[C@@H](C)N1CCSCC1)C(=O)[O-]	ZINC001339539456	921756013	/nfs/dbraw/zinc/75/60/13/921756013.db2.gz	MJWJYNPMZKCCKM-ZJUUUORDSA-N	-1	0	270.354	0.016	20	30		CCEDRM
C=CC(C)(C)C(=O)N1CCC(O)(c2nnn[n-]2)CC1	ZINC001332083834	917850524	/nfs/dbraw/zinc/85/05/24/917850524.db2.gz	XKMDPKGFOACWKB-UHFFFAOYSA-N	-1	0	265.317	0.222	20	30		CCEDRM
C=CCOC[C@H](NC(=O)Cc1cccnc1C)C(=O)[O-]	ZINC001332146774	917903706	/nfs/dbraw/zinc/90/37/06/917903706.db2.gz	DANTUZQGHNDLRP-LBPRGKRZSA-N	-1	0	278.308	0.705	20	30		CCEDRM
Cc1[n-]n(CCS(C)(=O)=O)c(=O)c1CCC#N	ZINC001332222618	917968799	/nfs/dbraw/zinc/96/87/99/917968799.db2.gz	MDMBAPFXKMFNEV-VIFPVBQESA-N	-1	0	257.315	0.169	20	30		CCEDRM
C=CCOC[C@@H](NCc1nn(CC)nc1C)C(=O)[O-]	ZINC001332423617	918145419	/nfs/dbraw/zinc/14/54/19/918145419.db2.gz	QVLCAJKIOVJGPF-LLVKDONJSA-N	-1	0	268.317	0.352	20	30		CCEDRM
C=CC[C@@H](NC(=O)[C@H]1CCc2nnc(C)n2C1)C(=O)[O-]	ZINC001332613616	918311681	/nfs/dbraw/zinc/31/16/81/918311681.db2.gz	LBZSEUVETJHOPR-VHSXEESVSA-N	-1	0	278.312	0.294	20	30		CCEDRM
C=C[C@H](C)O[N-]C(=O)C(=O)Nc1nc2n(n1)CCCC2	ZINC001332628220	918327768	/nfs/dbraw/zinc/32/77/68/918327768.db2.gz	OUXAMXSTMPDNLD-QMMMGPOBSA-N	-1	0	279.300	0.175	20	30		CCEDRM
C=C(C)CO[N-]C(=O)C(=O)Nc1ccn(CCOC)n1	ZINC001332628167	918329218	/nfs/dbraw/zinc/32/92/18/918329218.db2.gz	NUTYZMYDHWSPMD-UHFFFAOYSA-N	-1	0	282.300	0.092	20	30		CCEDRM
COCC#CC(=O)N[C@@H](c1nc(=O)o[n-]1)C(C)(C)C	ZINC001333369386	918842949	/nfs/dbraw/zinc/84/29/49/918842949.db2.gz	FUPZXXZALCLKOQ-VIFPVBQESA-N	-1	0	267.285	0.216	20	30		CCEDRM
C=C1CCC(C(=O)[N-]S(=O)(=O)[C@H](C)C(=O)OC)CC1	ZINC001333627835	919053650	/nfs/dbraw/zinc/05/36/50/919053650.db2.gz	APTUNMKLDJQQGY-SECBINFHSA-N	-1	0	289.353	0.740	20	30		CCEDRM
C=CCCCN(CC)C(=O)C(=O)NCCCC(=O)[O-]	ZINC001334928847	919843480	/nfs/dbraw/zinc/84/34/80/919843480.db2.gz	NHOBOMAXCXLIAB-UHFFFAOYSA-N	-1	0	270.329	0.782	20	30		CCEDRM
CS/C=C/C(=O)N1CC(n2cc(C#N)c(=O)[n-]c2=O)C1	ZINC001336814272	921033636	/nfs/dbraw/zinc/03/36/36/921033636.db2.gz	OOWIGUMWJPTQOK-NSCUHMNNSA-N	-1	0	292.320	0.081	20	30		CCEDRM
C#C[C@@H](NC(=O)N(CCOC)CCC(=O)[O-])C(C)C	ZINC001339864571	921856438	/nfs/dbraw/zinc/85/64/38/921856438.db2.gz	QLMOIWUCSHYBLO-LLVKDONJSA-N	-1	0	270.329	0.777	20	30		CCEDRM
CN(Cc1nc(=O)o[n-]1)C(=O)[C@@]1(C#N)CC12CCCC2	ZINC001418187412	921882592	/nfs/dbraw/zinc/88/25/92/921882592.db2.gz	BIMKJCYEBLMEDC-ZDUSSCGKSA-N	-1	0	276.296	0.795	20	30		CCEDRM
C[C@H](CC#N)N(C)C(=O)c1c[n-]n2c1nccc2=O	ZINC001340106686	921961452	/nfs/dbraw/zinc/96/14/52/921961452.db2.gz	WNXUXAQYQKGKPQ-MRVPVSSYSA-N	-1	0	259.269	0.397	20	30		CCEDRM
Cc1cc(C#N)ccc1C(=O)[N-]S(=O)(=O)N(C)C	ZINC001340927552	922280629	/nfs/dbraw/zinc/28/06/29/922280629.db2.gz	GRKDJZSXLYDKPE-UHFFFAOYSA-N	-1	0	267.310	0.403	20	30		CCEDRM
N#Cc1ccc(C(=O)N2CCC(c3nnn[n-]3)CC2)cn1	ZINC001418999260	922557642	/nfs/dbraw/zinc/55/76/42/922557642.db2.gz	XMKKTSRJHCBVPA-UHFFFAOYSA-N	-1	0	283.295	0.486	20	30		CCEDRM
CNC(=O)C(C#N)=C([O-])c1ccc(C(=O)N(C)C)cc1	ZINC001341770869	922664259	/nfs/dbraw/zinc/66/42/59/922664259.db2.gz	ZBNWROFPFOMBAX-LLVKDONJSA-N	-1	0	273.292	0.457	20	30		CCEDRM
CNC(=O)C(C#N)=C([O-])c1ccnn1CC(F)F	ZINC001341803746	922682224	/nfs/dbraw/zinc/68/22/24/922682224.db2.gz	DRXDJWPYKAOJRR-LURJTMIESA-N	-1	0	256.212	0.217	20	30		CCEDRM
COCCCNC(=O)C(C#N)=C([O-])c1ccc(C#N)[nH]1	ZINC001341800790	922682511	/nfs/dbraw/zinc/68/25/11/922682511.db2.gz	AGGUKYIRVXGOSO-JTQLQIEISA-N	-1	0	274.280	0.362	20	30		CCEDRM
Cn1nc(C([O-])=C(C#N)C(=O)NC2CC2)cc1Cl	ZINC001341948419	922732458	/nfs/dbraw/zinc/73/24/58/922732458.db2.gz	SOTFEBBDZHWLDK-ZETCQYMHSA-N	-1	0	266.688	0.675	20	30		CCEDRM
C=CCNC(=O)C(C#N)=C([O-])c1cnn2c1CCC2	ZINC001341948290	922734110	/nfs/dbraw/zinc/73/41/10/922734110.db2.gz	QPKJGQNPVKSALH-VIFPVBQESA-N	-1	0	258.281	0.454	20	30		CCEDRM
CNC(=O)C(C#N)=C([O-])c1cccc(N2CCNC2=O)c1	ZINC001343990431	923520971	/nfs/dbraw/zinc/52/09/71/923520971.db2.gz	JTHZWJBKCPMTSB-LLVKDONJSA-N	-1	0	286.291	0.285	20	30		CCEDRM
CO[C@H](C(=O)C(C#N)=C([O-])c1nccn1C)[C@@H]1CCOC1	ZINC001344059367	923544646	/nfs/dbraw/zinc/54/46/46/923544646.db2.gz	UFCFSVWUXGNQOJ-NRUUGDAUSA-N	-1	0	291.307	0.363	20	30		CCEDRM
C#CCO[C@H](C)C(=O)N1CCc2ccc(C(=O)[O-])nc2C1	ZINC001344544512	923630774	/nfs/dbraw/zinc/63/07/74/923630774.db2.gz	VISMQCAVESYETP-SNVBAGLBSA-N	-1	0	288.303	0.703	20	30		CCEDRM
C#CCn1cc(CNC(=O)[C@H]2C[C@@H](C(=O)[O-])C2)cn1	ZINC001344551374	923634044	/nfs/dbraw/zinc/63/40/44/923634044.db2.gz	SVWCCIAQMGCEFU-PHIMTYICSA-N	-1	0	261.281	0.243	20	30		CCEDRM
Cc1ocnc1C([O-])=C(C#N)C(=O)c1nccn1C	ZINC001344594623	923649195	/nfs/dbraw/zinc/64/91/95/923649195.db2.gz	GUTUEIVPWAAEFB-MRVPVSSYSA-N	-1	0	258.237	0.922	20	30		CCEDRM
Cc1nnc([S-])n(N=Cc2cn(C)nc2C2CC2)c1=O	ZINC001345042430	923771339	/nfs/dbraw/zinc/77/13/39/923771339.db2.gz	MTHGUVCUEJWACE-UHFFFAOYSA-N	-1	0	290.352	0.729	20	30		CCEDRM
C=C(C)CN(C)c1nnc(-c2cc(=O)[nH][n-]2)n1CC1CC1	ZINC001346478301	924231492	/nfs/dbraw/zinc/23/14/92/924231492.db2.gz	ONOLDQDCVACFHV-UHFFFAOYSA-N	-1	0	288.355	0.924	20	30		CCEDRM
O=C(C#Cc1cccs1)N1CC[C@H](c2nnn[n-]2)C1	ZINC001347197353	924395851	/nfs/dbraw/zinc/39/58/51/924395851.db2.gz	KRDZTILMDZLZPZ-VIFPVBQESA-N	-1	0	273.321	0.629	20	30		CCEDRM
C=CCC1(O)CN(C(=O)Cc2cc(=O)n(CC(C)C)[n-]2)C1	ZINC001348337520	924656451	/nfs/dbraw/zinc/65/64/51/924656451.db2.gz	IMDOWOFIGLDVFL-UHFFFAOYSA-N	-1	0	293.367	0.524	20	30		CCEDRM
Cn1c(=O)[n-]c(N[C@H](c2cccnc2)C2CC2)c(C#N)c1=O	ZINC001413887390	925995857	/nfs/dbraw/zinc/99/58/57/925995857.db2.gz	OVUYGPQDWJYKQI-LBPRGKRZSA-N	-1	0	297.318	0.903	20	30		CCEDRM
C=CCO[N-]C(=O)C(=O)Nc1ccnn1[C@H]1CCOC1	ZINC001354342564	926089132	/nfs/dbraw/zinc/08/91/32/926089132.db2.gz	RWQVGBIXXDXWOU-VIFPVBQESA-N	-1	0	280.284	0.017	20	30		CCEDRM
C=CCO[N-]C(=O)C(=O)Nc1ccnn1[C@@H]1CCOC1	ZINC001354342562	926089442	/nfs/dbraw/zinc/08/94/42/926089442.db2.gz	RWQVGBIXXDXWOU-SECBINFHSA-N	-1	0	280.284	0.017	20	30		CCEDRM
C=CCn1c(-c2cc(=O)[nH][n-]2)nnc1N(C)C1CCC1	ZINC001356038156	926337743	/nfs/dbraw/zinc/33/77/43/926337743.db2.gz	KCQVAGDNVHEVLP-UHFFFAOYSA-N	-1	0	274.328	0.677	20	30		CCEDRM
CCn1nncc1C([O-])=C(C#N)C(=O)N1CCCC1	ZINC001356089281	926342393	/nfs/dbraw/zinc/34/23/93/926342393.db2.gz	ZOCIXWYPJMAQCU-SECBINFHSA-N	-1	0	261.285	0.243	20	30		CCEDRM
CNC(=O)C(C#N)=C([O-])c1cc(S(C)(=O)=O)c(C)o1	ZINC001356132215	926347963	/nfs/dbraw/zinc/34/79/63/926347963.db2.gz	YYVUEFCQGZQQIQ-ZETCQYMHSA-N	-1	0	284.293	0.060	20	30		CCEDRM
Cn1ccnc1C([O-])=C(C#N)C(=O)CCc1cncnc1	ZINC001357660777	926580186	/nfs/dbraw/zinc/58/01/86/926580186.db2.gz	ALOQYOKHGOKBFM-NSHDSACASA-N	-1	0	283.291	0.734	20	30		CCEDRM
C=CC[C@@H](NC(=O)c1cccnc1OC)C(=O)[O-]	ZINC000150236466	926946659	/nfs/dbraw/zinc/94/66/59/926946659.db2.gz	XQZGQZCXOGUNIK-SECBINFHSA-N	-1	0	250.254	0.849	20	30		CCEDRM
C=CC[C@@H](NC(=O)c1c(C)cc(C)[nH]c1=O)C(=O)[O-]	ZINC000150315244	926950791	/nfs/dbraw/zinc/95/07/91/926950791.db2.gz	RCGUYZRVENBMQN-SECBINFHSA-N	-1	0	264.281	0.751	20	30		CCEDRM
Cc1cc(C#N)c(=O)[n-]c1C(=O)NCCN1CCOCC1	ZINC001361610314	927190887	/nfs/dbraw/zinc/19/08/87/927190887.db2.gz	DPJKZXVNILNOAW-UHFFFAOYSA-N	-1	0	290.323	0.029	20	30		CCEDRM
Cc1cccc(CNC(=O)Cn2cc(C#N)c(=O)[n-]c2=O)c1	ZINC001361624168	927201584	/nfs/dbraw/zinc/20/15/84/927201584.db2.gz	XOQOTIZKLAKOKN-UHFFFAOYSA-N	-1	0	298.302	0.445	20	30		CCEDRM
Cc1cc(C#N)c(=O)[n-]c1C(=O)N1CCO[C@@H](C#N)C1	ZINC001361915873	927444744	/nfs/dbraw/zinc/44/47/44/927444744.db2.gz	VOPOQOVGPQVBGI-JTQLQIEISA-N	-1	0	272.264	0.332	20	30		CCEDRM
C[C@@H]1CCC[C@H](NC(=O)Cn2cc(C#N)c(=O)[n-]c2=O)C1	ZINC001361920118	927449933	/nfs/dbraw/zinc/44/99/33/927449933.db2.gz	ZVLQHQYFCLSJCX-KOLCDFICSA-N	-1	0	290.323	0.515	20	30		CCEDRM
N#CCOc1cccc(CNC(=O)CCc2nnn[n-]2)c1	ZINC001361965512	927483530	/nfs/dbraw/zinc/48/35/30/927483530.db2.gz	ZQZBUXZUPFBREC-UHFFFAOYSA-N	-1	0	286.295	0.351	20	30		CCEDRM
Cc1cc(C#N)c(=O)[n-]c1C(=O)NCCC(=O)NC(C)C	ZINC001362051253	927559348	/nfs/dbraw/zinc/55/93/48/927559348.db2.gz	GTOPJTJBTHVQEQ-UHFFFAOYSA-N	-1	0	290.323	0.612	20	30		CCEDRM
N#Cc1cn(CC(=O)Nc2ccsc2)c(=O)[n-]c1=O	ZINC001362143419	927661078	/nfs/dbraw/zinc/66/10/78/927661078.db2.gz	ZUBXOFLRCZNMJA-UHFFFAOYSA-N	-1	0	276.277	0.521	20	30		CCEDRM
Cn1c(C#N)ccc1C(=O)N1CCC[C@H](c2nnn[n-]2)C1	ZINC001362315307	927867380	/nfs/dbraw/zinc/86/73/80/927867380.db2.gz	WPRLMOGAVXYFAX-VIFPVBQESA-N	-1	0	285.311	0.430	20	30		CCEDRM
Cc1cc(C#N)c(=O)[n-]c1C(=O)NCC1(C)OCCO1	ZINC001362340013	927896272	/nfs/dbraw/zinc/89/62/72/927896272.db2.gz	YYLPQBSXJCZWGB-UHFFFAOYSA-N	-1	0	277.280	0.460	20	30		CCEDRM
CN(Cc1nc(=O)o[n-]1)C(=O)CCc1ccc(C#N)cc1	ZINC001362842480	928561642	/nfs/dbraw/zinc/56/16/42/928561642.db2.gz	WZKFYEUUQXJHLF-UHFFFAOYSA-N	-1	0	286.291	0.826	20	30		CCEDRM
Cc1coc(C(=O)NCCn2cc(C#N)c(=O)[n-]c2=O)c1	ZINC001363003741	928749735	/nfs/dbraw/zinc/74/97/35/928749735.db2.gz	LLSUMTBWVCPQIL-UHFFFAOYSA-N	-1	0	288.263	0.152	20	30		CCEDRM
N#Cc1cn(CCC(=O)N[C@H]2[C@@H]3CCC[C@@H]32)c(=O)[n-]c1=O	ZINC001363066475	928828876	/nfs/dbraw/zinc/82/88/76/928828876.db2.gz	PWIDJCVKRGFZPT-IAZYJMLFSA-N	-1	0	288.307	0.125	20	30		CCEDRM
Cc1cccc(OCCn2c(=O)[n-]cc(C#N)c2=O)c1	ZINC001363186967	928956456	/nfs/dbraw/zinc/95/64/56/928956456.db2.gz	VKEDGABHRRSUKY-UHFFFAOYSA-N	-1	0	271.276	0.796	20	30		CCEDRM
C[C@@H]1[C@H](C)OCCN1Cc1cc(=O)n2[n-]cc(C#N)c2n1	ZINC001363214716	928984833	/nfs/dbraw/zinc/98/48/33/928984833.db2.gz	BVRDBLPOVDEOCR-ZJUUUORDSA-N	-1	0	287.323	0.916	20	30		CCEDRM
N#CCc1cccc(C(=O)NCc2nc([O-])cc(=O)[nH]2)c1	ZINC001363321048	929108824	/nfs/dbraw/zinc/10/88/24/929108824.db2.gz	JIAFISZOLPUOLX-UHFFFAOYSA-N	-1	0	284.275	0.884	20	30		CCEDRM
CC(C)n1ccc(CNc2[n-]c(=O)n(C)c(=O)c2C#N)n1	ZINC001363728572	929525519	/nfs/dbraw/zinc/52/55/19/929525519.db2.gz	FPEVLOLLKAPNGH-UHFFFAOYSA-N	-1	0	288.311	0.335	20	30		CCEDRM
C=CC[C@@H](NC(=O)Cn1c(=O)[n-][nH]c1=O)c1ccncc1	ZINC001444203017	929807690	/nfs/dbraw/zinc/80/76/90/929807690.db2.gz	APXCTJLJVBIEAN-SNVBAGLBSA-N	-1	0	289.295	0.518	20	30		CCEDRM
C[C@H]1CCC[C@](C#N)(NC(=O)Cn2c(=O)[n-][nH]c2=O)C1	ZINC001444614275	929916361	/nfs/dbraw/zinc/91/63/61/929916361.db2.gz	UQGGCDONJNLSKH-UFBFGSQYSA-N	-1	0	279.300	0.278	20	30		CCEDRM
C#CCn1cc(CNC(=O)c2[n-]c(=O)c(C#N)cc2C)cn1	ZINC001448877414	931014256	/nfs/dbraw/zinc/01/42/56/931014256.db2.gz	WKHXTNNJIQNWAG-UHFFFAOYSA-N	-1	0	295.302	0.727	20	30		CCEDRM
Cc1ccc(C(=O)C=CC(=O)Nn2c(=O)[n-][nH]c2=O)cc1	ZINC001450463729	931292674	/nfs/dbraw/zinc/29/26/74/931292674.db2.gz	JNSXVUNRQGPCHU-SREVYHEPSA-N	-1	0	288.263	0.507	20	30		CCEDRM
CN(CCC(=O)[O-])C(=O)NCc1ccc(C#N)cn1	ZINC001610924182	970793336	/nfs/dbraw/zinc/79/33/36/970793336.db2.gz	WSOAUPFBQPMUEH-UHFFFAOYSA-N	-1	0	262.269	0.569	20	30		CCEDRM
CO[C@@H]1CC[C@H](NC(=O)[C@](C)(C#N)CC(=O)[O-])C1	ZINC001610990555	970830552	/nfs/dbraw/zinc/83/05/52/970830552.db2.gz	BCCHGDFYYSXFLJ-SBMIAAHKSA-N	-1	0	254.286	0.675	20	30		CCEDRM
N#CC1CN(C(=O)C2=NN(c3ccccc3)[C@H](C(=O)[O-])C2)C1	ZINC001611291358	970977612	/nfs/dbraw/zinc/97/76/12/970977612.db2.gz	POUCHGVRMHPRBO-ZDUSSCGKSA-N	-1	0	298.302	0.688	20	30		CCEDRM
C#CC1(F)CN(C(=O)C(=O)Nc2ccccc2C(=O)[O-])C1	ZINC001602673612	971241411	/nfs/dbraw/zinc/24/14/11/971241411.db2.gz	XJNPVHFXUMGUTP-UHFFFAOYSA-N	-1	0	290.250	0.507	20	30		CCEDRM
C#CCN(CC#N)C(=O)C1(C(=O)[O-])CCSCC1	ZINC001602678865	971257284	/nfs/dbraw/zinc/25/72/84/971257284.db2.gz	IGPILLPLEDWEHS-UHFFFAOYSA-N	-1	0	266.322	0.570	20	30		CCEDRM
C#CCN(CC(=O)[O-])C(=O)[C@@H](C)Oc1cccnc1	ZINC001602679568	971261403	/nfs/dbraw/zinc/26/14/03/971261403.db2.gz	TVCNQJKKGWMPGW-SNVBAGLBSA-N	-1	0	262.265	0.395	20	30		CCEDRM
C#CCN(CC(=O)[O-])C(=O)N[C@@H](CC)c1noc(C)n1	ZINC001602683703	971275376	/nfs/dbraw/zinc/27/53/76/971275376.db2.gz	ITKLMSJBLCCQTD-VIFPVBQESA-N	-1	0	280.284	0.559	20	30		CCEDRM
C#CCN(CC(=O)[O-])C(=O)Nc1cccc(CC#N)n1	ZINC001602688503	971290762	/nfs/dbraw/zinc/29/07/62/971290762.db2.gz	NTUMSZKYDVFBPZ-UHFFFAOYSA-N	-1	0	272.264	0.699	20	30		CCEDRM
C#CCN(CC(=O)[O-])c1nnc(-c2ccccn2)n1CC	ZINC001602699218	971316821	/nfs/dbraw/zinc/31/68/21/971316821.db2.gz	ODXNWQYHZGBJAE-UHFFFAOYSA-N	-1	0	285.307	0.884	20	30		CCEDRM
C#CCN(CC(=O)[O-])c1nnc([C@@]2(C)CCC=CO2)n1C	ZINC001602700809	971321623	/nfs/dbraw/zinc/32/16/23/971321623.db2.gz	KALYBQFYNDUTCZ-CQSZACIVSA-N	-1	0	290.323	0.879	20	30		CCEDRM
C#CCSCCNC(=O)N1C[C@H]2COC[C@@]2(C(=O)[O-])C1	ZINC001602704885	971338457	/nfs/dbraw/zinc/33/84/57/971338457.db2.gz	ZKNIEJQCMGYWNT-GWCFXTLKSA-N	-1	0	298.364	0.095	20	30		CCEDRM
C#Cc1ccc(S(=O)(=O)N(C)CC(=O)[O-])cc1	ZINC001602707236	971342989	/nfs/dbraw/zinc/34/29/89/971342989.db2.gz	NABXYXBFEVJAKU-UHFFFAOYSA-N	-1	0	253.279	0.373	20	30		CCEDRM
C=C1C[C@H]2CC[C@@H](C1)N2C(=O)C(=O)N(C)C[C@H](C)C(=O)[O-]	ZINC001602712197	971354132	/nfs/dbraw/zinc/35/41/32/971354132.db2.gz	JYKVUAPFKDHTAZ-SDDRHHMPSA-N	-1	0	294.351	0.875	20	30		CCEDRM
C=C(CO)C(=O)N[C@@H]1C[C@@H](C(=O)[O-])c2ccccc21	ZINC001602712469	971356383	/nfs/dbraw/zinc/35/63/83/971356383.db2.gz	RSWPOGWGSPPVPZ-VXGBXAGGSA-N	-1	0	261.277	0.964	20	30		CCEDRM
C=CCSCCNC(=O)[C@@]1(C(=O)[O-])CCCO1	ZINC001602728961	971398556	/nfs/dbraw/zinc/39/85/56/971398556.db2.gz	RRKXHCFVVQIQRT-LLVKDONJSA-N	-1	0	259.327	0.656	20	30		CCEDRM
C=CCn1nnnc1N1C[C@H](C)C[C@@H](C(=O)[O-])C1	ZINC001602730894	971410295	/nfs/dbraw/zinc/41/02/95/971410295.db2.gz	INQNEYRHGBZKLK-RKDXNWHRSA-N	-1	0	251.290	0.406	20	30		CCEDRM
C[C@H](C#N)N(C)C(=O)C1(CC(=O)[O-])CCOCC1	ZINC001602786004	971530678	/nfs/dbraw/zinc/53/06/78/971530678.db2.gz	AOSZIXDOPWZKKT-SECBINFHSA-N	-1	0	254.286	0.628	20	30		CCEDRM
C#CCN(CC(=O)[O-])C(=O)COc1ccccc1[N+](=O)[O-]	ZINC000092477642	949147089	/nfs/dbraw/zinc/14/70/89/949147089.db2.gz	IXTACXSCQZUWIA-UHFFFAOYSA-N	-1	0	292.247	0.520	20	30		CCEDRM
C#CCN(CC(=O)[O-])C(=O)COc1ccccc1F	ZINC000092477752	949147463	/nfs/dbraw/zinc/14/74/63/949147463.db2.gz	MSEPMFGIRPRRIL-UHFFFAOYSA-N	-1	0	265.240	0.751	20	30		CCEDRM
N#C[C@H]1CN(C(=O)c2ccc(C(=O)[O-])nc2)CCO1	ZINC000093937584	949173922	/nfs/dbraw/zinc/17/39/22/949173922.db2.gz	VBXWWSSHVXUCOM-VIFPVBQESA-N	-1	0	261.237	0.144	20	30		CCEDRM
O=C([O-])c1cccc(C(=O)N[C@@H]2CCN(O)C2=O)c1	ZINC001595240273	949441912	/nfs/dbraw/zinc/44/19/12/949441912.db2.gz	HIPIDQIELIPBET-SECBINFHSA-N	-1	0	264.237	0.105	20	30		CCEDRM
C[C@@H](C(=O)[O-])c1noc([C@]2(C#N)CCCOC2)n1	ZINC001602825843	971643813	/nfs/dbraw/zinc/64/38/13/971643813.db2.gz	WHHFCFNLRWMZMT-HQJQHLMTSA-N	-1	0	251.242	0.829	20	30		CCEDRM
CC(C)(C)C#CC(=O)NCCOCCOCC(=O)[O-]	ZINC001602846546	971679916	/nfs/dbraw/zinc/67/99/16/971679916.db2.gz	QRQFYBZDMRRPQE-UHFFFAOYSA-N	-1	0	271.313	0.270	20	30		CCEDRM
CC(C)(C)[C@H](C#N)NC(=O)[C@@H]1CC(C(=O)[O-])=NO1	ZINC001602847166	971682373	/nfs/dbraw/zinc/68/23/73/971682373.db2.gz	HXXIJAYVOKCLLC-YUMQZZPRSA-N	-1	0	253.258	0.270	20	30		CCEDRM
C#CCN(CC(=O)[O-])C(=O)N[C@@H](C)c1cnn(C)c1	ZINC000311897358	950747653	/nfs/dbraw/zinc/74/76/53/950747653.db2.gz	XLJCIQIAAISZMR-VIFPVBQESA-N	-1	0	264.285	0.211	20	30		CCEDRM
C[C@@](O)(CNC(=O)Nc1cccc(CC#N)c1)C(=O)[O-]	ZINC000313409450	950788937	/nfs/dbraw/zinc/78/89/37/950788937.db2.gz	KYILVSIUKFSQPH-CYBMUJFWSA-N	-1	0	277.280	0.710	20	30		CCEDRM
O=C([O-])[C@@H]1CCC[C@@H]1NC(=O)[C@H]1CCS(=O)(=O)C1	ZINC000328581901	951128360	/nfs/dbraw/zinc/12/83/60/951128360.db2.gz	NJPXUSMVUQEOPC-YIZRAAEISA-N	-1	0	275.326	0.631	20	30		CCEDRM
C#CCN(CC(=O)[O-])C(=O)N[C@@H]1CCCC1(F)F	ZINC000398020547	951580355	/nfs/dbraw/zinc/58/03/55/951580355.db2.gz	KAELXMBWBAEGQU-MRVPVSSYSA-N	-1	0	260.240	0.904	20	30		CCEDRM
O=C([O-])CN1CC[C@@H](OC(=O)C#Cc2ccccc2)C1=O	ZINC001595080933	951676564	/nfs/dbraw/zinc/67/65/64/951676564.db2.gz	IVDGOXAVHMOBOZ-GFCCVEGCSA-N	-1	0	287.271	0.267	20	30		CCEDRM
O=C([O-])[C@H]1CCCN(C(=O)c2cccc(C#CCO)c2)C1	ZINC001595197052	952305126	/nfs/dbraw/zinc/30/51/26/952305126.db2.gz	YZOQYWQTMKWAPZ-AWEZNQCLSA-N	-1	0	287.315	0.967	20	30		CCEDRM
N#Cc1cc(N2CCOC[C@H]2C(=O)[O-])c([N+](=O)[O-])s1	ZINC000407113446	953391412	/nfs/dbraw/zinc/39/14/12/953391412.db2.gz	FXYDEHPZAKAQOW-QMMMGPOBSA-N	-1	0	283.265	0.818	20	30		CCEDRM
CN(CC(=O)[O-])C(=O)c1ccn(-c2cccc(C#N)c2)n1	ZINC001593720758	954248865	/nfs/dbraw/zinc/24/88/65/954248865.db2.gz	DYYQXIWBLPILJH-UHFFFAOYSA-N	-1	0	284.275	0.901	20	30		CCEDRM
CC[C@@H](C#N)C(=O)N(CC(=O)[O-])C1CCOCC1	ZINC001589426106	954620849	/nfs/dbraw/zinc/62/08/49/954620849.db2.gz	DAUYEPHBCPPBHH-VIFPVBQESA-N	-1	0	254.286	0.628	20	30		CCEDRM
CC[C@](C)(C#N)NC(=O)[C@@H]1CCCN(CC(=O)[O-])C1=O	ZINC001589448015	954783349	/nfs/dbraw/zinc/78/33/49/954783349.db2.gz	VIMNQOOZBCOUCI-TVQRCGJNSA-N	-1	0	281.312	0.118	20	30		CCEDRM
Cn1nc(C(=O)[O-])cc1C(=O)O[C@@H]1CC[C@H](C#N)C1	ZINC001594567235	955850928	/nfs/dbraw/zinc/85/09/28/955850928.db2.gz	IJRYOOJARZRFPH-JGVFFNPUSA-N	-1	0	263.253	0.967	20	30		CCEDRM
N#C[C@H](NC(=O)[C@H]1CC(C(=O)[O-])=NO1)C1CCCCC1	ZINC001594600972	956128904	/nfs/dbraw/zinc/12/89/04/956128904.db2.gz	FPFPEGXSAJTOQX-WDEREUQCSA-N	-1	0	279.296	0.805	20	30		CCEDRM
N#CC1(NC(=O)[C@H]2CC[C@@H](C(=O)[O-])C2)CCOCC1	ZINC001594601299	956134400	/nfs/dbraw/zinc/13/44/00/956134400.db2.gz	AMSYICHBJQBVJK-VHSXEESVSA-N	-1	0	266.297	0.676	20	30		CCEDRM
N#CC[C@]1(O)CCN(C(=O)NC[C@@H](C(=O)[O-])C2CCC2)C1	ZINC001594606602	956184566	/nfs/dbraw/zinc/18/45/66/956184566.db2.gz	WXGHVYDLCZNGTF-RISCZKNCSA-N	-1	0	295.339	0.547	20	30		CCEDRM
N#CCN1CCC(CNC(=O)C2(C(=O)[O-])CCC2)CC1	ZINC001594610428	956203090	/nfs/dbraw/zinc/20/30/90/956203090.db2.gz	ZJIBKVQZPWCSAJ-UHFFFAOYSA-N	-1	0	279.340	0.593	20	30		CCEDRM
N#Cc1cc([N+](=O)[O-])c(N2CCO[C@H](C(=O)[O-])C2)cc1F	ZINC001594617383	956248231	/nfs/dbraw/zinc/24/82/31/956248231.db2.gz	JHVGOACFUSMGPM-NSHDSACASA-N	-1	0	295.226	0.895	20	30		CCEDRM
N#Cc1ccc([C@@H](O)C(=O)N[C@H]2CCC[C@H]2C(=O)[O-])cc1	ZINC001594617860	956256438	/nfs/dbraw/zinc/25/64/38/956256438.db2.gz	MZNFDEWXARVWRM-FRRDWIJNSA-N	-1	0	288.303	0.961	20	30		CCEDRM
N#Cc1ccc(C[C@@H](C#N)C(=O)NCCC(=O)[O-])cc1	ZINC001594618102	956259846	/nfs/dbraw/zinc/25/98/46/956259846.db2.gz	CRDLMGGBVGYMAB-LBPRGKRZSA-N	-1	0	271.276	0.831	20	30		CCEDRM
N#Cc1ccc(S(=O)(=O)NCCCC(=O)[O-])nc1	ZINC001594625650	956311572	/nfs/dbraw/zinc/31/15/72/956311572.db2.gz	SPNJZACCRLDUET-UHFFFAOYSA-N	-1	0	269.282	0.096	20	30		CCEDRM
N#Cc1ccsc1C(=O)N1C[C@@H]2COC[C@]2(C(=O)[O-])C1	ZINC001594632080	956348913	/nfs/dbraw/zinc/34/89/13/956348913.db2.gz	SRQAYZOOSKUJND-NOZJJQNGSA-N	-1	0	292.316	0.793	20	30		CCEDRM
N#Cc1ncn(CCNC(=O)[C@@H](C(=O)[O-])C2CCCC2)n1	ZINC001594635360	956368522	/nfs/dbraw/zinc/36/85/22/956368522.db2.gz	IXXGMIAXYVIABQ-NSHDSACASA-N	-1	0	291.311	0.157	20	30		CCEDRM
C[C@H](OC(=O)C1(C(=O)[O-])CCC1)C(=O)NC1(C#N)CCC1	ZINC001589158764	956386106	/nfs/dbraw/zinc/38/61/06/956386106.db2.gz	MDBLHBABRWJQOZ-VIFPVBQESA-N	-1	0	294.307	0.735	20	30		CCEDRM
O=C([O-])c1ccc(/C=C/C(=O)N[C@H]2CCN(O)C2=O)o1	ZINC001594670691	956616367	/nfs/dbraw/zinc/61/63/67/956616367.db2.gz	SCDPWXXBRVXLCR-KHVHVRLGSA-N	-1	0	280.236	0.097	20	30		CCEDRM
COCCN(CCC(=O)[O-])C(=O)c1ccc(C#N)nc1	ZINC001594008346	956984563	/nfs/dbraw/zinc/98/45/63/956984563.db2.gz	XZFSBASSIJJGBY-UHFFFAOYSA-N	-1	0	277.280	0.517	20	30		CCEDRM
CC(C)(NS(=O)(=O)c1cccc(C#N)c1)C(=O)[O-]	ZINC000040910823	957381738	/nfs/dbraw/zinc/38/17/38/957381738.db2.gz	VMYNAZUOEJNTKZ-UHFFFAOYSA-N	-1	0	268.294	0.700	20	30		CCEDRM
CCN(CC(=O)N1CCC(C(=O)[O-])CC1)C[C@H](C)C#N	ZINC000054262880	957526930	/nfs/dbraw/zinc/52/69/30/957526930.db2.gz	UVYUNPOGRJZTKE-LLVKDONJSA-N	-1	0	281.356	0.791	20	30		CCEDRM
C#CC[C@@H](NC(=O)c1ccc(NC(C)=O)cc1)C(=O)[O-]	ZINC000059927759	957566125	/nfs/dbraw/zinc/56/61/25/957566125.db2.gz	DDNFUTOPOWNCPV-GFCCVEGCSA-N	-1	0	274.276	0.851	20	30		CCEDRM
C#CC1(F)CN(C(=O)[C@]2(C(=O)[O-])CC=CCC2)C1	ZINC001588385952	957974715	/nfs/dbraw/zinc/97/47/15/957974715.db2.gz	MBHRMSNTACWKAB-ZDUSSCGKSA-N	-1	0	251.257	0.981	20	30		CCEDRM
C#C[C@@H](NC(=O)[C@]1(C(=O)[O-])CCCO1)C1CCOCC1	ZINC001588386933	957982535	/nfs/dbraw/zinc/98/25/35/957982535.db2.gz	DWZNZOULEWJLIO-RISCZKNCSA-N	-1	0	281.308	0.165	20	30		CCEDRM
C#C[C@H](C)NC(=O)C(=O)Nc1cccc(CC(=O)[O-])c1	ZINC001588388381	957993407	/nfs/dbraw/zinc/99/34/07/957993407.db2.gz	UAIFDUBELHNEAV-VIFPVBQESA-N	-1	0	274.276	0.390	20	30		CCEDRM
C#CC[C@@H](CO)NC(=O)NC[C@H](CC(=O)[O-])CC(C)C	ZINC001588388775	958000398	/nfs/dbraw/zinc/00/03/98/958000398.db2.gz	GBIUUEGQXJQSJK-RYUDHWBXSA-N	-1	0	284.356	0.807	20	30		CCEDRM
C#CC[C@@H](CCOC)NC(=O)[C@@](C)(OC)C(=O)[O-]	ZINC001588389570	958009928	/nfs/dbraw/zinc/00/99/28/958009928.db2.gz	WYPJDSPOTSRRPY-JOYOIKCWSA-N	-1	0	257.286	0.021	20	30		CCEDRM
C#CC[C@@H]1NC(=O)N(CCCCCC(=O)[O-])C1=O	ZINC001588391885	958028595	/nfs/dbraw/zinc/02/85/95/958028595.db2.gz	QUBDQXBFLMHMST-VIFPVBQESA-N	-1	0	252.270	0.575	20	30		CCEDRM
C#CCN(CC(=O)[O-])C(=O)[C@H](C)OC[C@@H]1CCCCO1	ZINC001588397322	958053832	/nfs/dbraw/zinc/05/38/32/958053832.db2.gz	DLUHHJXUZPVDFQ-RYUDHWBXSA-N	-1	0	283.324	0.507	20	30		CCEDRM
C#CCN(CC(=O)[O-])C(=O)N[C@@H]1[C@@H](C)[C@@H](OC)C1(C)C	ZINC001588410037	958134013	/nfs/dbraw/zinc/13/40/13/958134013.db2.gz	OCZGRWWSCGATDM-YUSALJHKSA-N	-1	0	282.340	0.775	20	30		CCEDRM
C#CCN(CC(=O)[O-])C(=O)N[C@H]1C[C@@H]2C[C@]2(C(=O)OC)C1	ZINC001588411154	958146468	/nfs/dbraw/zinc/14/64/68/958146468.db2.gz	NVMNPVYHFLJXCN-BFVZDQMLSA-N	-1	0	294.307	0.058	20	30		CCEDRM
C#CCN(CC(=O)[O-])C(=O)c1ccc(OC(F)F)nc1	ZINC001588416217	958163612	/nfs/dbraw/zinc/16/36/12/958163612.db2.gz	JVVAMBUBSKEVEL-UHFFFAOYSA-N	-1	0	284.218	0.843	20	30		CCEDRM
C#CCN(CC(=O)[O-])C(=O)c1cncc2ncn(C)c21	ZINC001588418380	958177273	/nfs/dbraw/zinc/17/72/73/958177273.db2.gz	CWYAHESMJXIICH-UHFFFAOYSA-N	-1	0	272.264	0.128	20	30		CCEDRM
C#CCN(CC(=O)[O-])C[C@H]1CCC2(CCOCC2)CO1	ZINC001588423750	958206447	/nfs/dbraw/zinc/20/64/47/958206447.db2.gz	DPYCUDAZUKXURA-CYBMUJFWSA-N	-1	0	281.352	0.982	20	30		CCEDRM
C#CCN(CC(=O)[O-])Cc1nnc(C2CC2)s1	ZINC001588425015	958221768	/nfs/dbraw/zinc/22/17/68/958221768.db2.gz	BYJTZSKXBWTCIJ-UHFFFAOYSA-N	-1	0	251.311	0.935	20	30		CCEDRM
C#CCN(CC(=O)[O-])c1nnc(-c2cc(C)[nH]n2)n1C	ZINC001588426686	958232579	/nfs/dbraw/zinc/23/25/79/958232579.db2.gz	XVZGFSQMLQOOCQ-UHFFFAOYSA-N	-1	0	274.284	0.038	20	30		CCEDRM
C#CCN(CC(=O)[O-])c1nnnn1C[C@]1(C)CCCCO1	ZINC001588427263	958243302	/nfs/dbraw/zinc/24/33/02/958243302.db2.gz	RRIWKCGDKHEIHK-ZDUSSCGKSA-N	-1	0	293.327	0.157	20	30		CCEDRM
C#CCN1CCN(C(=O)[C@@]2(C(=O)[O-])CC=CCC2)CC1	ZINC001588430598	958256859	/nfs/dbraw/zinc/25/68/59/958256859.db2.gz	OGJPEJHBMIZQLB-OAHLLOKOSA-N	-1	0	276.336	0.575	20	30		CCEDRM
C#CCN(CCCNC(=O)C(F)(F)F)CC(=O)[O-]	ZINC001588432420	958282514	/nfs/dbraw/zinc/28/25/14/958282514.db2.gz	RWRILBAKEAZTBK-UHFFFAOYSA-N	-1	0	266.219	0.075	20	30		CCEDRM
C#CCOc1ccccc1NC(=O)COCC(=O)[O-]	ZINC001588433597	958298534	/nfs/dbraw/zinc/29/85/34/958298534.db2.gz	PTUDQOKZTJCETF-UHFFFAOYSA-N	-1	0	263.249	0.738	20	30		CCEDRM
C#Cc1ccc(CNC(=O)[C@]2(C(=O)[O-])CCCO2)cc1	ZINC001588438832	958306999	/nfs/dbraw/zinc/30/69/99/958306999.db2.gz	DFPWDVTWCDALAJ-HNNXBMFYSA-N	-1	0	273.288	0.918	20	30		CCEDRM
C=C(CCC(=O)OC)C(=O)N([C@@H](C)C(=O)[O-])C1CC1	ZINC001588444515	958360927	/nfs/dbraw/zinc/36/09/27/958360927.db2.gz	GOVJUIZWFVDQKM-VIFPVBQESA-N	-1	0	269.297	0.960	20	30		CCEDRM
C=C1CCC(C(=O)N2CCN(C(=O)C(=O)[O-])CC2)CC1	ZINC001588445107	958371189	/nfs/dbraw/zinc/37/11/89/958371189.db2.gz	AUQRTVWDCYFYEH-UHFFFAOYSA-N	-1	0	280.324	0.488	20	30		CCEDRM
C=C[C@H](COC)NC(=O)N1CCC[C@@H](C(=O)[O-])C1	ZINC001588451070	958404653	/nfs/dbraw/zinc/40/46/53/958404653.db2.gz	LLEMHGHEDNMXNH-NXEZZACHSA-N	-1	0	256.302	0.694	20	30		CCEDRM
C=CC[C@@H](CO)NC(=O)c1ccc(C(=O)[O-])nc1	ZINC001588452525	958423660	/nfs/dbraw/zinc/42/36/60/958423660.db2.gz	CWLNAVXWRYMUEF-VIFPVBQESA-N	-1	0	250.254	0.447	20	30		CCEDRM
C=C[C@H]1CCCCN1C(=O)[C@@H]1CCCN(CC(=O)[O-])C1=O	ZINC001588452946	958429948	/nfs/dbraw/zinc/42/99/48/958429948.db2.gz	SMAMXKRQLBKOOS-NWDGAFQWSA-N	-1	0	294.351	0.877	20	30		CCEDRM
C=CC[C@@H](CO)CNC(=O)Nc1ccn(CC(=O)[O-])n1	ZINC001588453075	958431325	/nfs/dbraw/zinc/43/13/25/958431325.db2.gz	NFPZQTJSRNRMOL-SECBINFHSA-N	-1	0	282.300	0.274	20	30		CCEDRM
C=CCC[C@@H](NC(=O)[C@@](C)(OC)C(=O)[O-])C(=O)OCC	ZINC001588456969	958441298	/nfs/dbraw/zinc/44/12/98/958441298.db2.gz	DGUHRXZKQFDFSD-NOZJJQNGSA-N	-1	0	287.312	0.490	20	30		CCEDRM
C=CCN(CCC#N)C(=O)[C@H]1CC(C(=O)[O-])=NO1	ZINC001588463279	958482716	/nfs/dbraw/zinc/48/27/16/958482716.db2.gz	JTMOZLYQRSDSQC-SECBINFHSA-N	-1	0	251.242	0.144	20	30		CCEDRM
C=CC[C@@H](NC(=O)[C@@H](C(=O)[O-])C1CC1)C(=O)OCC	ZINC001573328322	958498436	/nfs/dbraw/zinc/49/84/36/958498436.db2.gz	GBNBINCPXPUGJV-ZJUUUORDSA-N	-1	0	269.297	0.721	20	30		CCEDRM
C=CCNC(=O)Cc1noc(-c2ccc(C(=O)[O-])nc2)n1	ZINC001588465655	958507123	/nfs/dbraw/zinc/50/71/23/958507123.db2.gz	WGSRADYBMOGFMG-UHFFFAOYSA-N	-1	0	288.263	0.675	20	30		CCEDRM
C=C(CCC(=O)OC)C(=O)N1CC[C@@H](C(=O)[O-])C1	ZINC001573330083	958515238	/nfs/dbraw/zinc/51/52/38/958515238.db2.gz	UGKZARVITRMKSX-SECBINFHSA-N	-1	0	255.270	0.429	20	30		CCEDRM
CC#CC[C@H](CO)NC(=O)NCCCCC(=O)[O-]	ZINC001573340227	958535238	/nfs/dbraw/zinc/53/52/38/958535238.db2.gz	NCPATWLEPNPSHW-SNVBAGLBSA-N	-1	0	256.302	0.315	20	30		CCEDRM
C=CCn1c([C@H](C)O)nnc1N1CC[C@](C)(C(=O)[O-])C1	ZINC001588474135	958554000	/nfs/dbraw/zinc/55/40/00/958554000.db2.gz	DJEHWWGAEHLCPA-ZANVPECISA-N	-1	0	280.328	0.818	20	30		CCEDRM
C=CCn1cc(CN2CCCC[C@@H]2C(=O)[O-])nn1	ZINC001588474732	958558605	/nfs/dbraw/zinc/55/86/05/958558605.db2.gz	NZOPZTXUWFSRHJ-LLVKDONJSA-N	-1	0	250.302	0.903	20	30		CCEDRM
C[C@@H]1CCN(C(=O)CSCC#N)[C@H](C(=O)[O-])C1	ZINC000125438085	958564627	/nfs/dbraw/zinc/56/46/27/958564627.db2.gz	IEOHOAOWHUPRIH-BDAKNGLRSA-N	-1	0	256.327	0.955	20	30		CCEDRM
CC#CCCCC(=O)N1CCO[C@](COC)(C(=O)[O-])C1	ZINC001588478490	958566388	/nfs/dbraw/zinc/56/63/88/958566388.db2.gz	CDRSKALERBZIIE-CQSZACIVSA-N	-1	0	283.324	0.509	20	30		CCEDRM
CC#CC[C@H](CO)NC(=O)c1ccc(C(=O)[O-])cn1	ZINC001588478457	958566775	/nfs/dbraw/zinc/56/67/75/958566775.db2.gz	AMNXXCJBKIJIDG-SNVBAGLBSA-N	-1	0	262.265	0.284	20	30		CCEDRM
C[C@](C#N)(CC(=O)[O-])C(=O)N1C[C@@H]2C[C@H](O)CC[C@@H]2C1	ZINC001573359521	958584147	/nfs/dbraw/zinc/58/41/47/958584147.db2.gz	BJUQZLFZLBBCJR-FBKDDSFISA-N	-1	0	280.324	0.610	20	30		CCEDRM
C[C@@](C#N)(CC(=O)[O-])C(=O)N1CCO[C@@H]2COCC[C@@H]21	ZINC001573360627	958593254	/nfs/dbraw/zinc/59/32/54/958593254.db2.gz	XQKQRUMWSNXXRF-CWSCBRNRSA-N	-1	0	282.296	0.007	20	30		CCEDRM
CC(=NN[C@H]1CCCSC1)c1cn(CC(=O)[O-])nn1	ZINC001588486113	958609828	/nfs/dbraw/zinc/60/98/28/958609828.db2.gz	RLCSSRGSVHLGED-VIFPVBQESA-N	-1	0	283.357	0.572	20	30		CCEDRM
C[C@@](C#N)(CC(=O)[O-])C(=O)Nc1cnc(C(N)=O)s1	ZINC001573365576	958621941	/nfs/dbraw/zinc/62/19/41/958621941.db2.gz	WGUSZVCYYSCPAC-JTQLQIEISA-N	-1	0	282.281	0.185	20	30		CCEDRM
C[C@@](C#N)(CC(=O)[O-])C(=O)N=S1(=O)CCCC1	ZINC001588537986	958937794	/nfs/dbraw/zinc/93/77/94/958937794.db2.gz	BCOLCFQVCQAVKD-JTQLQIEISA-N	-1	0	258.299	0.779	20	30		CCEDRM
C[C@](C#N)(CC(=O)[O-])C(=O)OC[C@H]1C[C@@]12CCOC2	ZINC001588540425	958962714	/nfs/dbraw/zinc/96/27/14/958962714.db2.gz	ZJMOGDNPNSWQSA-OASPWFOLSA-N	-1	0	267.281	0.961	20	30		CCEDRM
C[C@H](C#N)CN(CN1C[C@@H](C(=O)[O-])CC1=O)C1CC1	ZINC001588542912	958974106	/nfs/dbraw/zinc/97/41/06/958974106.db2.gz	FOYKSYOSUUMJFV-ZJUUUORDSA-N	-1	0	265.313	0.501	20	30		CCEDRM
C[C@H](C(=O)[O-])N(C1CC1)S(=O)(=O)N(C)C[C@H](C)C#N	ZINC001588543592	958981789	/nfs/dbraw/zinc/98/17/89/958981789.db2.gz	OBFPPVULQSPLRL-RKDXNWHRSA-N	-1	0	289.357	0.260	20	30		CCEDRM
C[C@H](C#N)C(=O)N1C[C@H](C(=O)[O-])C[C@H](c2cnn(C)c2)C1	ZINC001588543886	958985551	/nfs/dbraw/zinc/98/55/51/958985551.db2.gz	VDVJGBDEIKRHOE-OUAUKWLOSA-N	-1	0	290.323	0.596	20	30		CCEDRM
C[C@@](C#N)(NC(=O)CN1CCC[C@]1(C)C(=O)[O-])C1CC1	ZINC001588544002	958986777	/nfs/dbraw/zinc/98/67/77/958986777.db2.gz	XLBQLRIIIQQIRQ-UONOGXRCSA-N	-1	0	279.340	0.734	20	30		CCEDRM
C[C@@](C#N)(CC(=O)[O-])C(=O)NCC1CC2(C1)OCCO2	ZINC001588556345	959054269	/nfs/dbraw/zinc/05/42/69/959054269.db2.gz	BFTGDNDHNMIFIV-LBPRGKRZSA-N	-1	0	282.296	0.260	20	30		CCEDRM
C#CC[C@@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)[O-]	ZINC000161266858	959180319	/nfs/dbraw/zinc/18/03/19/959180319.db2.gz	PSYIIBMWOHPSKY-LLVKDONJSA-N	-1	0	278.289	0.313	20	30		CCEDRM
Cc1cc(C#N)ccc1CN1CCNC(=O)[C@H]1CC(=O)[O-]	ZINC000166108168	959301405	/nfs/dbraw/zinc/30/14/05/959301405.db2.gz	GULUNBPVRIEPFA-CYBMUJFWSA-N	-1	0	287.319	0.642	20	30		CCEDRM
CC(C)n1nnc(NC(=O)[C@@](C)(C#N)CC(=O)[O-])n1	ZINC001573577668	959338458	/nfs/dbraw/zinc/33/84/58/959338458.db2.gz	YJNGWBJDVQWTJI-SNVBAGLBSA-N	-1	0	266.261	0.197	20	30		CCEDRM
CC(C)(C#N)NC(=O)[C@@H]1CO[C@H](CCC(=O)[O-])C1	ZINC001588607851	959497193	/nfs/dbraw/zinc/49/71/93/959497193.db2.gz	VXPOKSBTUAPIAJ-DTWKUNHWSA-N	-1	0	254.286	0.675	20	30		CCEDRM
C[C@](O)(CNC(=O)Nc1cc(C#N)ccc1F)C(=O)[O-]	ZINC001573633017	959568287	/nfs/dbraw/zinc/56/82/87/959568287.db2.gz	IOLKGIAQXHCNBJ-LBPRGKRZSA-N	-1	0	281.243	0.654	20	30		CCEDRM
Cc1nnc(CN(C)C(=O)[C@@](C)(C#N)CC(=O)[O-])s1	ZINC001594490959	959704413	/nfs/dbraw/zinc/70/44/13/959704413.db2.gz	CRQYXKRIERLPRC-LLVKDONJSA-N	-1	0	282.325	0.810	20	30		CCEDRM
C[C@@H](OC(=O)[C@H](C(=O)[O-])C1CC1)C(=O)NC1(C#N)CCC1	ZINC001603268950	972473165	/nfs/dbraw/zinc/47/31/65/972473165.db2.gz	QYOQSCJSMBVGGP-SCZZXKLOSA-N	-1	0	294.307	0.591	20	30		CCEDRM
COCCN(CCC#N)C(=O)c1cc(C(=O)[O-])on1	ZINC000230048872	960119603	/nfs/dbraw/zinc/11/96/03/960119603.db2.gz	QDWQCQLAFDWJGG-UHFFFAOYSA-N	-1	0	267.241	0.375	20	30		CCEDRM
C#CCSCCNC(=O)N1CC[C@@H](C(=O)[O-])[C@@H]1C	ZINC000231958694	960236590	/nfs/dbraw/zinc/23/65/90/960236590.db2.gz	JQGUFVCHQCUZAC-VHSXEESVSA-N	-1	0	270.354	0.857	20	30		CCEDRM
C[C@@H]1C[C@H](C(=O)[O-])CCN1C(=O)CSCC#N	ZINC000235313651	960409716	/nfs/dbraw/zinc/40/97/16/960409716.db2.gz	YEZIYOZJELWTDQ-RKDXNWHRSA-N	-1	0	256.327	0.955	20	30		CCEDRM
N#C[C@H]1CC[C@@H](NS(=O)(=O)CC2(C(=O)[O-])CCC2)C1	ZINC001571028966	960452029	/nfs/dbraw/zinc/45/20/29/960452029.db2.gz	CVGSPAYAWVUGNY-VHSXEESVSA-N	-1	0	286.353	0.853	20	30		CCEDRM
N#Cc1ncc(N2CCC[C@@H](C(=O)[O-])C2)nc1C#N	ZINC001574248531	960498429	/nfs/dbraw/zinc/49/84/29/960498429.db2.gz	JVTAPIIDXJPVGH-MRVPVSSYSA-N	-1	0	257.253	0.521	20	30		CCEDRM
N#Cc1ccc(NCC(=O)N[C@H]2CCO[C@H]2C(=O)[O-])cc1	ZINC001571034965	960517381	/nfs/dbraw/zinc/51/73/81/960517381.db2.gz	DPASHBYLXCRSLB-WCQYABFASA-N	-1	0	289.291	0.328	20	30		CCEDRM
Cc1nn(C)c(NC(=O)[C@H]2CC[C@H]2C(=O)[O-])c1C#N	ZINC001574434901	961397313	/nfs/dbraw/zinc/39/73/13/961397313.db2.gz	ULAAKWDXRCIQBR-JGVFFNPUSA-N	-1	0	262.269	0.650	20	30		CCEDRM
CC(C)[C@@](C)(C#N)NC(=O)COC(=O)CCC(=O)[O-]	ZINC001588812689	961531335	/nfs/dbraw/zinc/53/13/35/961531335.db2.gz	OJVZWVHSXVEAGX-GFCCVEGCSA-N	-1	0	270.285	0.449	20	30		CCEDRM
N#C[C@H]1C[C@H]1C(=O)N[C@H](Cc1ccncc1)C(=O)[O-]	ZINC001574479634	961652741	/nfs/dbraw/zinc/65/27/41/961652741.db2.gz	MWESTTNIGYFAQC-GMTAPVOTSA-N	-1	0	259.265	0.353	20	30		CCEDRM
N#Cc1c(NC(=O)CCC(=O)[O-])nc2n1CCOC2	ZINC001574480222	961658810	/nfs/dbraw/zinc/65/88/10/961658810.db2.gz	YOZCHFZNGKNBOV-UHFFFAOYSA-N	-1	0	264.241	0.088	20	30		CCEDRM
N#Cc1cc(CNC(=O)c2ccc(C(=O)[O-])cn2)ccn1	ZINC001574486364	961684098	/nfs/dbraw/zinc/68/40/98/961684098.db2.gz	VJKQDZCTIVCJLQ-UHFFFAOYSA-N	-1	0	282.259	0.976	20	30		CCEDRM
N#Cc1ccc(F)c(CNC(=O)[C@H]2CC(C(=O)[O-])=NO2)c1	ZINC001574489061	961701443	/nfs/dbraw/zinc/70/14/43/961701443.db2.gz	XXDHGYSLTHCTOL-LLVKDONJSA-N	-1	0	291.238	0.543	20	30		CCEDRM
N#Cc1ccc2[nH]c(NC(=O)COCC(=O)[O-])nc2c1	ZINC001574490265	961713423	/nfs/dbraw/zinc/71/34/23/961713423.db2.gz	ZDVHLWPMQWLZLI-UHFFFAOYSA-N	-1	0	274.236	0.474	20	30		CCEDRM
N#Cc1ncc(NCC2(C(=O)[O-])CCOCC2)nc1C#N	ZINC001574493760	961720902	/nfs/dbraw/zinc/72/09/02/961720902.db2.gz	QCDCIWIAHNGVRP-UHFFFAOYSA-N	-1	0	287.279	0.513	20	30		CCEDRM
COc1cc(C#N)ccc1C(=O)NC[C@](C)(O)C(=O)[O-]	ZINC001574012452	961919953	/nfs/dbraw/zinc/91/99/53/961919953.db2.gz	LLMQEWAVMJTIAR-ZDUSSCGKSA-N	-1	0	278.264	0.132	20	30		CCEDRM
C#CC[C@H](NC(=O)Cc1cccc(OCC#N)c1)C(=O)[O-]	ZINC001573302115	962644707	/nfs/dbraw/zinc/64/47/07/962644707.db2.gz	JEEPGPLNOFVSMF-ZDUSSCGKSA-N	-1	0	286.287	0.724	20	30		CCEDRM
C#C[C@@H]1COCCN1C(=O)CC[C@@H]1C[C@H](C(=O)[O-])CO1	ZINC001573302951	962667053	/nfs/dbraw/zinc/66/70/53/962667053.db2.gz	SJURYRINLFGYBW-QJPTWQEYSA-N	-1	0	281.308	0.117	20	30		CCEDRM
C#CC[C@H](NS(=O)(=O)C[C@H](C)C1CC1)C(=O)[O-]	ZINC001573303930	962683747	/nfs/dbraw/zinc/68/37/47/962683747.db2.gz	UXJBTHMPTOXIKF-WPRPVWTQSA-N	-1	0	259.327	0.428	20	30		CCEDRM
C#CC[C@@H](NC(=O)c1cc(F)cc([N+](=O)[O-])c1N)C(=O)[O-]	ZINC001573304070	962686299	/nfs/dbraw/zinc/68/62/99/962686299.db2.gz	YJEBFVKQGRDNJJ-MRVPVSSYSA-N	-1	0	295.226	0.522	20	30		CCEDRM
C=C(C)C(C)(C)C(=O)NCCN(C)C(=O)[C@@H]1C[C@H]1C(=O)[O-]	ZINC001573320851	962752443	/nfs/dbraw/zinc/75/24/43/962752443.db2.gz	FQJKQYLYBIOQBX-GHMZBOCLSA-N	-1	0	296.367	0.884	20	30		CCEDRM
C#CCOCCN(C)C(=O)c1cccc(OCC(=O)[O-])c1	ZINC001573327708	962809640	/nfs/dbraw/zinc/80/96/40/962809640.db2.gz	UMBJYKNTKNFLGL-UHFFFAOYSA-N	-1	0	291.303	0.872	20	30		CCEDRM
C=C(CCC(=O)[O-])C(=O)NC[C@H](O)c1cccnc1	ZINC001573331966	962820231	/nfs/dbraw/zinc/82/02/31/962820231.db2.gz	BOCSNHRPMPSIGL-NSHDSACASA-N	-1	0	264.281	0.652	20	30		CCEDRM
C=C(CCC(=O)[O-])C(=O)N1CC(n2nc(C)nc2C)C1	ZINC001573332987	962848503	/nfs/dbraw/zinc/84/85/03/962848503.db2.gz	VBNDUBFOYMYJSL-UHFFFAOYSA-N	-1	0	278.312	0.699	20	30		CCEDRM
C=C(CCC(=O)[O-])C(=O)NCc1ccc[nH]c1=O	ZINC001573333251	962854242	/nfs/dbraw/zinc/85/42/42/962854242.db2.gz	XJQMBNLTUVMUDC-UHFFFAOYSA-N	-1	0	250.254	0.824	20	30		CCEDRM
C=C(Cl)CN(C)CCNC(=O)[C@@H]1C[C@H]1C(=O)[O-]	ZINC001573338612	962877303	/nfs/dbraw/zinc/87/73/03/962877303.db2.gz	FDQMNRNJHNAXEV-RKDXNWHRSA-N	-1	0	260.721	0.508	20	30		CCEDRM
C=C(Cl)CN1CC(N(C)C(=O)[C@@H]2C[C@H]2C(=O)[O-])C1	ZINC001573339358	962889010	/nfs/dbraw/zinc/88/90/10/962889010.db2.gz	RCPFMADXEBLMCE-NXEZZACHSA-N	-1	0	272.732	0.602	20	30		CCEDRM
C=C(Cl)CN1CC[C@H](NC(=O)CNC(=O)[O-])C1	ZINC001573339995	962898519	/nfs/dbraw/zinc/89/85/19/962898519.db2.gz	ZKXZBQDDKWYGQI-QMMMGPOBSA-N	-1	0	261.709	0.197	20	30		CCEDRM
C=CCCC[C@H](NC(=O)CNC(=O)OCC)C(=O)[O-]	ZINC001573358376	963027872	/nfs/dbraw/zinc/02/78/72/963027872.db2.gz	YTYNRCGENSBRLM-VIFPVBQESA-N	-1	0	272.301	0.658	20	30		CCEDRM
C[C@@H]1C[C@H](C(=O)N2CC[C@@](F)(C#N)C2)O[C@H]1C(=O)[O-]	ZINC001570994794	963175042	/nfs/dbraw/zinc/17/50/42/963175042.db2.gz	QSVMOSIIELQIJI-MFYTUXHUSA-N	-1	0	270.260	0.329	20	30		CCEDRM
C[C@@H]1C[C@H](C(=O)N2CC[C@](F)(C#N)C2)O[C@H]1C(=O)[O-]	ZINC001570994793	963175367	/nfs/dbraw/zinc/17/53/67/963175367.db2.gz	QSVMOSIIELQIJI-HNBLOZHYSA-N	-1	0	270.260	0.329	20	30		CCEDRM
C=CCCN(C)C(=O)NCCn1cc(C(=O)[O-])nn1	ZINC000306058512	963182293	/nfs/dbraw/zinc/18/22/93/963182293.db2.gz	VTUBGHNQHCELPW-UHFFFAOYSA-N	-1	0	267.289	0.194	20	30		CCEDRM
CC[C@@H](CC#N)NC(=O)Cn1cccc(C(=O)[O-])c1=O	ZINC001571005874	963246221	/nfs/dbraw/zinc/24/62/21/963246221.db2.gz	GPNMUHDORHCUCZ-VIFPVBQESA-N	-1	0	277.280	0.355	20	30		CCEDRM
CC[C@H](CC#N)NC(=O)Cn1cccc(C(=O)[O-])c1=O	ZINC001571005873	963246451	/nfs/dbraw/zinc/24/64/51/963246451.db2.gz	GPNMUHDORHCUCZ-SECBINFHSA-N	-1	0	277.280	0.355	20	30		CCEDRM
C=CCCCN(C)S(=O)(=O)c1cc(C(=O)[O-])no1	ZINC000315799497	963936770	/nfs/dbraw/zinc/93/67/70/963936770.db2.gz	PKJLTRFTTODHSC-UHFFFAOYSA-N	-1	0	274.298	0.960	20	30		CCEDRM
C#CCC[C@H](O)CNC(=O)c1cccc(C(=O)[O-])c1	ZINC001588435437	964022417	/nfs/dbraw/zinc/02/24/17/964022417.db2.gz	QEIXGIATWANTML-LBPRGKRZSA-N	-1	0	261.277	0.889	20	30		CCEDRM
C#CCCCC(=O)N1CC[C@@H](C(=O)OC)C[C@H]1C(=O)[O-]	ZINC001588435423	964022512	/nfs/dbraw/zinc/02/25/12/964022512.db2.gz	PPWOGIORPXHLQP-MNOVXSKESA-N	-1	0	281.308	0.655	20	30		CCEDRM
C=C(C)COCCn1nnnc1N1CCC(C(=O)[O-])CC1	ZINC001588440380	964037030	/nfs/dbraw/zinc/03/70/30/964037030.db2.gz	YCVCXONHKQKETQ-UHFFFAOYSA-N	-1	0	295.343	0.567	20	30		CCEDRM
C#CCCCc1nnc(N2CC[C@](OC)(C(=O)[O-])C2)n1C	ZINC001588447300	964086271	/nfs/dbraw/zinc/08/62/71/964086271.db2.gz	VZIPFZOUSSCEQT-CQSZACIVSA-N	-1	0	292.339	0.451	20	30		CCEDRM
N#Cc1cc([N+](=O)[O-])ccc1N1CCOC[C@H]1C(=O)[O-]	ZINC000088377591	967584796	/nfs/dbraw/zinc/58/47/96/967584796.db2.gz	HUFIPSALDRUTNT-NSHDSACASA-N	-1	0	277.236	0.756	20	30		CCEDRM
C#CCN(CC(=O)[O-])C(=O)Nc1cc(C)n(C)n1	ZINC000306023122	967919867	/nfs/dbraw/zinc/91/98/67/967919867.db2.gz	ULNGARKXDZMFLP-UHFFFAOYSA-N	-1	0	250.258	0.280	20	30		CCEDRM
COC[C@@]1(C(=O)[O-])CCN(c2cc(C#N)nc(C)n2)C1	ZINC000308365257	967928075	/nfs/dbraw/zinc/92/80/75/967928075.db2.gz	NUONXHGBZDEWLU-CYBMUJFWSA-N	-1	0	276.296	0.584	20	30		CCEDRM
C#C[C@@H](CC)NC(=O)N1CC[C@@](COC)(C(=O)[O-])C1	ZINC000311868576	967953444	/nfs/dbraw/zinc/95/34/44/967953444.db2.gz	LIJTVNKJMKAOQG-GXFFZTMASA-N	-1	0	268.313	0.531	20	30		CCEDRM
N#Cc1cccc(-n2ccc(C(=O)NCCC(=O)[O-])n2)c1	ZINC001608214899	970403397	/nfs/dbraw/zinc/40/33/97/970403397.db2.gz	IXNZDTFTPSMNHG-UHFFFAOYSA-N	-1	0	284.275	0.948	20	30		CCEDRM
C=CC[C@@H](CO)NS(=O)(=O)c1cccc(C(=O)[O-])c1	ZINC000320086551	970611488	/nfs/dbraw/zinc/61/14/88/970611488.db2.gz	CISWWRKIBPGFHH-JTQLQIEISA-N	-1	0	285.321	0.600	20	30		CCEDRM
C[C@H](C(=O)[O-])C(=O)O[C@@H](C)C(=O)NC1(C#N)CCC1	ZINC001609982692	970629907	/nfs/dbraw/zinc/62/99/07/970629907.db2.gz	JJSMNFXWDVNTTA-SFYZADRCSA-N	-1	0	268.269	0.201	20	30		CCEDRM
C=CC[C@@H](CO)NS(=O)(=O)c1cc(C(=O)[O-])oc1C	ZINC000321127301	970745802	/nfs/dbraw/zinc/74/58/02/970745802.db2.gz	RAQCOJPEUXUXAW-QMMMGPOBSA-N	-1	0	289.309	0.502	20	30		CCEDRM
CC1(C)C[C@]1(C#N)NC(=O)[C@H]1CC(C(=O)[O-])=NO1	ZINC001603322061	972647877	/nfs/dbraw/zinc/64/78/77/972647877.db2.gz	GDZRAAXGNQSBDP-RDDDGLTNSA-N	-1	0	251.242	0.024	20	30		CCEDRM
COC(=O)C1(COC(=O)[C@@](C)(C#N)CC(=O)[O-])CC1	ZINC001604275445	972837643	/nfs/dbraw/zinc/83/76/43/972837643.db2.gz	AJWZQPLYQJXIQS-LLVKDONJSA-N	-1	0	269.253	0.487	20	30		CCEDRM
CO[C@H](C(=O)[O-])C(=O)N1CCCc2cc(C#N)ccc21	ZINC001604422362	973194455	/nfs/dbraw/zinc/19/44/55/973194455.db2.gz	RPUAXIHNYPINGL-LBPRGKRZSA-N	-1	0	274.276	0.937	20	30		CCEDRM
C=CCCCNC(=O)N1C[C@@H](O)C[C@H](C(=O)[O-])C1	ZINC000401959673	973564917	/nfs/dbraw/zinc/56/49/17/973564917.db2.gz	UNZGPQPCUAUUNU-UWVGGRQHSA-N	-1	0	256.302	0.430	20	30		CCEDRM
COC[C@@]1(C(=O)[O-])CN(c2nc(C)ccc2C#N)CCO1	ZINC001604565201	973630429	/nfs/dbraw/zinc/63/04/29/973630429.db2.gz	RIIIHMNMZWLGEG-CQSZACIVSA-N	-1	0	291.307	0.568	20	30		CCEDRM
N#C[C@H](NC(=O)[C@H]1CO[C@H](CCC(=O)[O-])C1)C1CC1	ZINC001605577325	973856881	/nfs/dbraw/zinc/85/68/81/973856881.db2.gz	ZMKVGRDEHCPRIF-MXWKQRLJSA-N	-1	0	266.297	0.675	20	30		CCEDRM
N#CC[C@@H](NC(=O)[C@]1(C(=O)[O-])CCCO1)C(F)(F)F	ZINC001605581739	973861498	/nfs/dbraw/zinc/86/14/98/973861498.db2.gz	KEPKFZCEOSEEFR-MUWHJKNJSA-N	-1	0	280.202	0.581	20	30		CCEDRM
O=C([O-])C1CN(C(=O)C(=O)/C=C/c2ccc(F)cc2)C1	ZINC001605667625	974066201	/nfs/dbraw/zinc/06/62/01/974066201.db2.gz	GLJKQULGHNJDEX-ZZXKWVIFSA-N	-1	0	277.251	0.951	20	30		CCEDRM
O=C([O-])C1CN(C(=O)C(=O)/C=C\c2ccc(F)cc2)C1	ZINC001605667624	974066450	/nfs/dbraw/zinc/06/64/50/974066450.db2.gz	GLJKQULGHNJDEX-UTCJRWHESA-N	-1	0	277.251	0.951	20	30		CCEDRM
CC[C@@H](C#N)NC(=O)[C@@H]1CO[C@@H](CCC(=O)[O-])C1	ZINC001603901624	974403908	/nfs/dbraw/zinc/40/39/08/974403908.db2.gz	QVIAWICIBYHITH-GUBZILKMSA-N	-1	0	254.286	0.675	20	30		CCEDRM
CN(C)C[C@@](C)(C#N)NC(=O)[C@@H]1CC[C@H]1C(=O)[O-]	ZINC001604057589	974588882	/nfs/dbraw/zinc/58/88/82/974588882.db2.gz	IFFAJDJEEYMOAV-KBVBSXBZSA-N	-1	0	253.302	0.057	20	30		CCEDRM
CC(C)[C@H](NC(=O)CN(C)[C@H](C)CC#N)C(=O)[O-]	ZINC001591866318	976168441	/nfs/dbraw/zinc/16/84/41/976168441.db2.gz	FLILCWKJWNYZNA-KOLCDFICSA-N	-1	0	255.318	0.446	20	30		CCEDRM
C[C@H](CC#N)C(=O)N[C@@H](CCC1OCCO1)C(=O)[O-]	ZINC001592210862	977257776	/nfs/dbraw/zinc/25/77/76/977257776.db2.gz	HKMWPDBSZCVKOL-BDAKNGLRSA-N	-1	0	270.285	0.259	20	30		CCEDRM
C[C@H](/C=C/C(=O)[O-])NS(=O)(=O)c1cncc(C#N)c1	ZINC001592211779	977264393	/nfs/dbraw/zinc/26/43/93/977264393.db2.gz	MWGASXXLDIDORV-UFUPEUMYSA-N	-1	0	281.293	0.261	20	30		CCEDRM
C[C@@H](CC(=O)N(CC#N)CC(=O)[O-])[C@H]1CCCO1	ZINC001592226335	977417432	/nfs/dbraw/zinc/41/74/32/977417432.db2.gz	WTPRYRVNWGHZGD-VHSXEESVSA-N	-1	0	254.286	0.628	20	30		CCEDRM
C[C@@H](CC(=O)[O-])CC(=O)NCc1ccc(C(=O)NO)cc1	ZINC001592387996	977931783	/nfs/dbraw/zinc/93/17/83/977931783.db2.gz	LIYADYHNVNKNSP-SECBINFHSA-N	-1	0	294.307	0.923	20	30		CCEDRM
C[C@@](CCF)(NS(=O)(=O)CCCC#N)C(=O)[O-]	ZINC001592507691	978327834	/nfs/dbraw/zinc/32/78/34/978327834.db2.gz	MMVHKGMSUAGJSD-VIFPVBQESA-N	-1	0	266.294	0.412	20	30		CCEDRM
CC[C@@H](CC#N)NC(=O)C(=O)Nc1cc(C(=O)[O-])n(C)c1	ZINC001595029407	979157611	/nfs/dbraw/zinc/15/76/11/979157611.db2.gz	APHWQLYOCIQPTE-QMMMGPOBSA-N	-1	0	292.295	0.470	20	30		CCEDRM
C[C@](CO)(NC(=O)C(=O)/C=C/c1ccc(F)cc1)C(=O)[O-]	ZINC001592734527	979262320	/nfs/dbraw/zinc/26/23/20/979262320.db2.gz	XKCGLNGRRHUTJH-BTKRWWFXSA-N	-1	0	295.266	0.360	20	30		CCEDRM
CCC(CC)(CO)C(=O)N(CC#N)CCC(=O)[O-]	ZINC001595088824	979381919	/nfs/dbraw/zinc/38/19/19/979381919.db2.gz	YRUPPGCNEVPARL-UHFFFAOYSA-N	-1	0	256.302	0.612	20	30		CCEDRM
CC[C@H](CNC(=O)c1cccc(C#CCO)c1)C(=O)[O-]	ZINC001595163960	979704418	/nfs/dbraw/zinc/70/44/18/979704418.db2.gz	FTGGKUATTHRXKS-GFCCVEGCSA-N	-1	0	275.304	0.871	20	30		CCEDRM
C[C@@H](Cc1c[nH]cn1)C(=O)N1CCC(C#N)(C(=O)[O-])CC1	ZINC001592905995	979840844	/nfs/dbraw/zinc/84/08/44/979840844.db2.gz	AOZGWGPUVISWIC-JTQLQIEISA-N	-1	0	290.323	0.805	20	30		CCEDRM
CC[C@H](OC(=O)[C@@H](C)n1cnc(C#N)n1)[C@H](C)C(=O)[O-]	ZINC001595338716	980608161	/nfs/dbraw/zinc/60/81/61/980608161.db2.gz	YUDHOJMPHGNKQJ-YIZRAAEISA-N	-1	0	280.284	0.753	20	30		CCEDRM
CC/C=C/[C@H](OC(=O)[C@@H](C)n1cnc(C#N)n1)C(=O)[O-]	ZINC001595514704	981316739	/nfs/dbraw/zinc/31/67/39/981316739.db2.gz	MKXXHMXQVUKDIT-VJIGKBMESA-N	-1	0	278.268	0.673	20	30		CCEDRM
CC[C@H](C(=O)[O-])C(=O)O[C@@H](C)C(=O)NC1(C#N)CCC1	ZINC001594766610	981723736	/nfs/dbraw/zinc/72/37/36/981723736.db2.gz	YTHYPMJALOFXOT-DTWKUNHWSA-N	-1	0	282.296	0.591	20	30		CCEDRM
CC[C@H](C(=O)OC)C(=O)N(CC#N)CCC(=O)[O-]	ZINC001594775601	981760044	/nfs/dbraw/zinc/76/00/44/981760044.db2.gz	NQIFHCSELJGKNS-QMMMGPOBSA-N	-1	0	256.258	0.012	20	30		CCEDRM
CC[C@](C)(C#N)C(=O)O[C@@H](C)C(=O)NCC(=O)[O-]	ZINC001594778361	981775869	/nfs/dbraw/zinc/77/58/69/981775869.db2.gz	POHPWKFEMSBHEA-WRWORJQWSA-N	-1	0	256.258	0.059	20	30		CCEDRM
N#Cc1cc(C(=O)N[C@@H](C[C@H]2CCCO2)C(=O)[O-])co1	ZINC001574241301	983200329	/nfs/dbraw/zinc/20/03/29/983200329.db2.gz	KJIVNCRFTJRXLX-KOLCDFICSA-N	-1	0	278.264	0.903	20	30		CCEDRM
C#CC(C)(C)N(C)S(=O)(=O)C1(C(=O)[O-])CCC1	ZINC001588367283	983298568	/nfs/dbraw/zinc/29/85/68/983298568.db2.gz	OZKWIUJRUSIHAM-UHFFFAOYSA-N	-1	0	259.327	0.667	20	30		CCEDRM
C#C[C@H](CO)NC(=O)Nc1ccc(C(=O)[O-])cc1N(C)C	ZINC001588370427	983319076	/nfs/dbraw/zinc/31/90/76/983319076.db2.gz	CSCUGMPHJIVZJV-SNVBAGLBSA-N	-1	0	291.307	0.566	20	30		CCEDRM
C#C[C@@H](CO)NC(=O)Nc1cccc(OCC(=O)[O-])c1	ZINC001588370822	983321971	/nfs/dbraw/zinc/32/19/71/983321971.db2.gz	NQAQFPRLOWOTCQ-VIFPVBQESA-N	-1	0	278.264	0.266	20	30		CCEDRM
C#C[C@H](NC(=O)N1C[C@@H](C)[C@H](C(=O)[O-])C1)C1CCOCC1	ZINC001588372698	983332980	/nfs/dbraw/zinc/33/29/80/983332980.db2.gz	QVJRHWMJLWFITG-RTXFEEFZSA-N	-1	0	294.351	0.777	20	30		CCEDRM
C#C[C@@H](NC(=O)CCc1ocnc1C(=O)[O-])[C@@H]1CCCO1	ZINC001588372986	983335295	/nfs/dbraw/zinc/33/52/95/983335295.db2.gz	WZOFSKCRCDITOB-ZJUUUORDSA-N	-1	0	292.291	0.602	20	30		CCEDRM
C#C[C@H](NS(=O)(=O)CC1(C(=O)[O-])CC1)C(C)(C)C	ZINC001588376485	983352100	/nfs/dbraw/zinc/35/21/00/983352100.db2.gz	FAIZJMLPAAETHA-VIFPVBQESA-N	-1	0	273.354	0.819	20	30		CCEDRM
CCCc1cc(C(=O)N(CC#N)CC(=O)[O-])no1	ZINC001596052929	983353789	/nfs/dbraw/zinc/35/37/89/983353789.db2.gz	LVWZEDOEERMBQR-UHFFFAOYSA-N	-1	0	251.242	0.677	20	30		CCEDRM
C#CC1(O)CCN(C(=O)c2c(C)[nH]c(C(=O)[O-])c2C)CC1	ZINC001588379577	983364788	/nfs/dbraw/zinc/36/47/88/983364788.db2.gz	MOMFUHYGLRPKMD-UHFFFAOYSA-N	-1	0	290.319	0.930	20	30		CCEDRM
C#CC1(O)CN([C@@H](C(=O)[O-])c2cc(OC)cc(OC)c2)C1	ZINC001588381799	983366814	/nfs/dbraw/zinc/36/68/14/983366814.db2.gz	AGUNTLRXGICICZ-CYBMUJFWSA-N	-1	0	291.303	0.509	20	30		CCEDRM
C#C[C@@H]1CCCN(CC(=O)N[C@@H](CC(C)C)C(=O)[O-])C1	ZINC001588382738	983374446	/nfs/dbraw/zinc/37/44/46/983374446.db2.gz	GXXDNEUTMPEDHM-OLZOCXBDSA-N	-1	0	280.368	0.947	20	30		CCEDRM
C#CC1CCN(S(=O)(=O)CC(C)(C)C(=O)[O-])CC1	ZINC001588382987	983376039	/nfs/dbraw/zinc/37/60/39/983376039.db2.gz	LYZWDBFAZHHVIR-UHFFFAOYSA-N	-1	0	273.354	0.772	20	30		CCEDRM
C#CCC(CC#C)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)[O-]	ZINC001588389833	983388762	/nfs/dbraw/zinc/38/87/62/983388762.db2.gz	BTKWISWEAZYAPI-LBPRGKRZSA-N	-1	0	273.292	0.184	20	30		CCEDRM
C#CC[C@H](COC)NS(=O)(=O)c1ccc(C(=O)[O-])nc1	ZINC001588396243	983407880	/nfs/dbraw/zinc/40/78/80/983407880.db2.gz	XBRJGYTUKFFXEH-SECBINFHSA-N	-1	0	298.320	0.096	20	30		CCEDRM
C#CC[C@@H](NC(=O)CN1CSCCSC1)C(=O)[O-]	ZINC001588405429	983421661	/nfs/dbraw/zinc/42/16/61/983421661.db2.gz	OAEQVUCGEJSPBS-SECBINFHSA-N	-1	0	288.394	0.276	20	30		CCEDRM
C#CC[C@H](NC(=O)CCn1cc([N+](=O)[O-])nc1C)C(=O)[O-]	ZINC001588405481	983421751	/nfs/dbraw/zinc/42/17/51/983421751.db2.gz	PUWDZBUDACTBMD-VIFPVBQESA-N	-1	0	294.267	0.083	20	30		CCEDRM
C#CC[C@H](NC(=O)[C@@H]1CC(=O)c2ccccc21)C(=O)[O-]	ZINC001588405645	983422118	/nfs/dbraw/zinc/42/21/18/983422118.db2.gz	HWGORHGIFTUMKI-NEPJUHHUSA-N	-1	0	271.272	0.949	20	30		CCEDRM
C#CC[C@@H](NC(=O)CCCc1nc(C)no1)C(=O)[O-]	ZINC001588406266	983424975	/nfs/dbraw/zinc/42/49/75/983424975.db2.gz	ZYOOHSMAIAMIDO-SECBINFHSA-N	-1	0	265.269	0.293	20	30		CCEDRM
C#CC[C@@H](NC(=O)Cc1n[nH]c2ccccc12)C(=O)[O-]	ZINC001588407249	983427687	/nfs/dbraw/zinc/42/76/87/983427687.db2.gz	FPPUBYJTPWSZQD-LLVKDONJSA-N	-1	0	271.276	0.698	20	30		CCEDRM
C#CC[C@H](NC(=O)Cc1sc(C)nc1C)C(=O)[O-]	ZINC001588407629	983429029	/nfs/dbraw/zinc/42/90/29/983429029.db2.gz	LJRDLFMNYOQPBG-VIFPVBQESA-N	-1	0	266.322	0.895	20	30		CCEDRM
C#CC[C@@H](NC(=O)Cc1ccc2n[nH]cc2c1)C(=O)[O-]	ZINC001588407942	983429755	/nfs/dbraw/zinc/42/97/55/983429755.db2.gz	RUOBVVXQRRIOIA-GFCCVEGCSA-N	-1	0	271.276	0.698	20	30		CCEDRM
C#CC[C@H](NC(=O)c1cc(C)nc2c1cnn2C)C(=O)[O-]	ZINC001588414400	983433654	/nfs/dbraw/zinc/43/36/54/983433654.db2.gz	SJTRQHVVBIZYDD-NSHDSACASA-N	-1	0	286.291	0.483	20	30		CCEDRM
C#CC[C@H](NC(=O)c1ccc2cnccc2n1)C(=O)[O-]	ZINC001588416271	983436767	/nfs/dbraw/zinc/43/67/67/983436767.db2.gz	LOPJBYWJKVMOMO-LBPRGKRZSA-N	-1	0	269.260	0.836	20	30		CCEDRM
C#CC[C@@H](NC(=O)c1cn2nccc2nc1C)C(=O)[O-]	ZINC001588417071	983438228	/nfs/dbraw/zinc/43/82/28/983438228.db2.gz	WSZFXMPPGLMLDE-SNVBAGLBSA-N	-1	0	272.264	0.244	20	30		CCEDRM
C#CC[C@H](NC(=O)c1nnn(-c2ccccc2)c1C)C(=O)[O-]	ZINC001588421067	983439181	/nfs/dbraw/zinc/43/91/81/983439181.db2.gz	ACUCCUONIPSICW-LBPRGKRZSA-N	-1	0	298.302	0.782	20	30		CCEDRM
C#CC[C@H](NC(=O)c1ncoc1-c1ccon1)C(=O)[O-]	ZINC001588421265	983440118	/nfs/dbraw/zinc/44/01/18/983440118.db2.gz	FIHMOMWJQMFHAK-QMMMGPOBSA-N	-1	0	275.220	0.536	20	30		CCEDRM
C#CC[C@H](NC(=O)c1ncccc1NC(C)=O)C(=O)[O-]	ZINC001588422010	983443865	/nfs/dbraw/zinc/44/38/65/983443865.db2.gz	RMZCWFQJJCFQMH-JTQLQIEISA-N	-1	0	275.264	0.246	20	30		CCEDRM
C#CC[C@H](NS(=O)(=O)C[C@H]1CCC1(F)F)C(=O)[O-]	ZINC001588423261	983451725	/nfs/dbraw/zinc/45/17/25/983451725.db2.gz	BAOYNLADCPTZEN-SFYZADRCSA-N	-1	0	281.280	0.428	20	30		CCEDRM
C#CC[C@@H]1NC(=O)N(Cc2ccccc2CC(=O)[O-])C1=O	ZINC001588434754	983472333	/nfs/dbraw/zinc/47/23/33/983472333.db2.gz	SBGZEXREOCUZGP-LBPRGKRZSA-N	-1	0	286.287	0.757	20	30		CCEDRM
C#CCN(C)C(=O)[C@H](CCC(=O)[O-])NC(=O)OC(C)(C)C	ZINC001588461058	983488619	/nfs/dbraw/zinc/48/86/19/983488619.db2.gz	DKFMVKZWIWCGCC-JTQLQIEISA-N	-1	0	298.339	0.836	20	30		CCEDRM
C#CCN(C)CC(=O)Nc1ccsc1C(=O)[O-]	ZINC001588461434	983489851	/nfs/dbraw/zinc/48/98/51/983489851.db2.gz	PKGASSIAQSSJSB-UHFFFAOYSA-N	-1	0	252.295	0.950	20	30		CCEDRM
C#CCN(CC(=O)N[C@H](C(=O)[O-])C(C)C)C1CSC1	ZINC001588466105	983498345	/nfs/dbraw/zinc/49/83/45/983498345.db2.gz	VINJUTHCCFZDDA-LBPRGKRZSA-N	-1	0	284.381	0.262	20	30		CCEDRM
C#CCNC(=O)[C@H](C)OC(=O)c1occc1C(=O)[O-]	ZINC001588479376	983519172	/nfs/dbraw/zinc/51/91/72/983519172.db2.gz	LNKDJSUNIFXWSM-ZETCQYMHSA-N	-1	0	265.221	0.273	20	30		CCEDRM
C#CCNC(=O)N1C[C@H](C(=O)[O-])C[C@H](C(F)(F)F)C1	ZINC001588483901	983522311	/nfs/dbraw/zinc/52/23/11/983522311.db2.gz	MHYRRVQLZJQVID-SFYZADRCSA-N	-1	0	278.230	0.914	20	30		CCEDRM
C#Cc1ccc(C(=O)N2C[C@H](O)C[C@@H](C(=O)[O-])C2)cc1	ZINC001588511094	983558495	/nfs/dbraw/zinc/55/84/95/983558495.db2.gz	QKIOZNHHJXREBQ-CHWSQXEVSA-N	-1	0	273.288	0.576	20	30		CCEDRM
C#Cc1ccc(C(=O)N[C@@]2(CC(=O)[O-])CCCOC2)cn1	ZINC001588511288	983559073	/nfs/dbraw/zinc/55/90/73/983559073.db2.gz	UNGCETOCJJQKDX-OAHLLOKOSA-N	-1	0	288.303	0.817	20	30		CCEDRM
C#Cc1ccc(CNC(=O)N2CC(O)(C(=O)[O-])C2)cc1	ZINC001588516855	983562669	/nfs/dbraw/zinc/56/26/69/983562669.db2.gz	FIMSCXYOQYVGKA-UHFFFAOYSA-N	-1	0	274.276	0.009	20	30		CCEDRM
C#Cc1ccc(NC(=O)N2CC(O)(C(=O)[O-])C2)cc1	ZINC001588518291	983568989	/nfs/dbraw/zinc/56/89/89/983568989.db2.gz	ZOHJJABYFFMRLJ-UHFFFAOYSA-N	-1	0	260.249	0.331	20	30		CCEDRM
C#Cc1ccc(S(=O)(=O)NC2(C(=O)[O-])CCC2)cc1	ZINC001588518266	983569056	/nfs/dbraw/zinc/56/90/56/983569056.db2.gz	YTARNZRXHRKLKC-UHFFFAOYSA-N	-1	0	279.317	0.954	20	30		CCEDRM
C=C(C)C[C@H](NC(=O)CN1CCCC1=O)C(=O)[O-]	ZINC001588543240	983610995	/nfs/dbraw/zinc/61/09/95/983610995.db2.gz	ZFQRQNCAXOGDDV-VIFPVBQESA-N	-1	0	254.286	0.144	20	30		CCEDRM
C=C(C)C[C@@H](NC(=O)c1c[nH]c(C(=O)[O-])c1)C(=O)OC	ZINC001588543313	983611319	/nfs/dbraw/zinc/61/13/19/983611319.db2.gz	FVIDOTNXLUPVKD-SNVBAGLBSA-N	-1	0	280.280	0.951	20	30		CCEDRM
C=C(C)C[C@@H](NC(C)=O)C(=O)N1CC[C@@H](C(=O)[O-])C1	ZINC001588547011	983617886	/nfs/dbraw/zinc/61/78/86/983617886.db2.gz	GVYDOESLPQTNED-GHMZBOCLSA-N	-1	0	268.313	0.390	20	30		CCEDRM
C=C(C)C[C@H](NC(=O)c1ccnc2ccnn21)C(=O)[O-]	ZINC001588547910	983621768	/nfs/dbraw/zinc/62/17/68/983621768.db2.gz	IQUPLNIYCQITSK-VIFPVBQESA-N	-1	0	274.280	0.879	20	30		CCEDRM
C=C(C)C[C@@H](NC(=O)c1ccn2nccc2n1)C(=O)[O-]	ZINC001588548743	983625212	/nfs/dbraw/zinc/62/52/12/983625212.db2.gz	STZQYEDVZLXVTC-SNVBAGLBSA-N	-1	0	274.280	0.879	20	30		CCEDRM
C=C(C)C[C@@H](NS(=O)(=O)c1ccnn1CC)C(=O)[O-]	ZINC001588555244	983633717	/nfs/dbraw/zinc/63/37/17/983633717.db2.gz	BZYYPGZNOJKBTE-SECBINFHSA-N	-1	0	287.341	0.601	20	30		CCEDRM
CCN(CC)C(=O)CN(C)c1ccc(C(=O)[O-])nc1C#N	ZINC001596246163	983645648	/nfs/dbraw/zinc/64/56/48/983645648.db2.gz	ZPXPLKBGVXDFAS-UHFFFAOYSA-N	-1	0	290.323	0.956	20	30		CCEDRM
C=C(C)CS(=O)(=O)N1CCC(C#N)(C(=O)[O-])CC1	ZINC001588577408	983656674	/nfs/dbraw/zinc/65/66/74/983656674.db2.gz	VMCAEHIILSFMLR-UHFFFAOYSA-N	-1	0	272.326	0.583	20	30		CCEDRM
C=C(C)CNC(=S)N1C[C@H](C(=O)[O-])C[C@H](O)C1	ZINC001588585647	983663961	/nfs/dbraw/zinc/66/39/61/983663961.db2.gz	RWZWGMMVXFDREC-BDAKNGLRSA-N	-1	0	258.343	0.204	20	30		CCEDRM
C=C(CC(C)C)C(=O)N1C[C@H](C(=O)[O-])[C@H](C(=O)OC)C1	ZINC001588605261	983691711	/nfs/dbraw/zinc/69/17/11/983691711.db2.gz	FRFAZLFQPHPGNM-WDEREUQCSA-N	-1	0	283.324	0.921	20	30		CCEDRM
C=C(CCC(=O)[O-])C(=O)N(C)[C@H](CO)COC(C)C	ZINC001588607011	983699454	/nfs/dbraw/zinc/69/94/54/983699454.db2.gz	OVFNAKKJZNLSPM-LLVKDONJSA-N	-1	0	273.329	0.652	20	30		CCEDRM
C=C(CCC(=O)[O-])C(=O)N1CCN(C(=O)OCC)CC1	ZINC001588615161	983710498	/nfs/dbraw/zinc/71/04/98/983710498.db2.gz	LUFGPAUEGSZSGE-UHFFFAOYSA-N	-1	0	284.312	0.708	20	30		CCEDRM
C=C(CCC(=O)[O-])C(=O)N1CCCC[C@@H]1CNC(N)=O	ZINC001588615158	983710520	/nfs/dbraw/zinc/71/05/20/983710520.db2.gz	LSLZATVPYRDKPE-SNVBAGLBSA-N	-1	0	283.328	0.457	20	30		CCEDRM
C=C(CCC(=O)[O-])C(=O)N1CCn2c(COC)nnc2C1	ZINC001588619113	983715029	/nfs/dbraw/zinc/71/50/29/983715029.db2.gz	LFLWVXGCJXWNIN-UHFFFAOYSA-N	-1	0	294.311	0.188	20	30		CCEDRM
CCN(CCC#N)S(=O)(=O)N(CC)CCC(=O)[O-]	ZINC001596299532	983724821	/nfs/dbraw/zinc/72/48/21/983724821.db2.gz	NGCVMPYXMSYGKH-UHFFFAOYSA-N	-1	0	277.346	0.263	20	30		CCEDRM
CCN(CCC(=O)[O-])C(=O)[C@@H](O)c1ccc(C#N)cc1	ZINC001596304476	983732075	/nfs/dbraw/zinc/73/20/75/983732075.db2.gz	YFZRCEJGRUDVPF-ZDUSSCGKSA-N	-1	0	276.292	0.915	20	30		CCEDRM
C=C(CCC(=O)[O-])C(=O)NCCCc1c[nH][nH]c1=O	ZINC001588624599	983733302	/nfs/dbraw/zinc/73/33/02/983733302.db2.gz	PJVLCNDUQLRUQJ-SECBINFHSA-N	-1	0	267.285	0.036	20	30		CCEDRM
C=C(CCC(=O)OC)C(=O)N[C@@H](CCF)C(=O)[O-]	ZINC001588633263	983748565	/nfs/dbraw/zinc/74/85/65/983748565.db2.gz	JVXBREPAEJQOBU-QMMMGPOBSA-N	-1	0	261.249	0.425	20	30		CCEDRM
C=C(CCC(=O)OC)C(=O)NC[C@@H](C(=O)[O-])[C@H]1CCOC1	ZINC001588634040	983751661	/nfs/dbraw/zinc/75/16/61/983751661.db2.gz	VDWBPWJFKBXNPV-WDEREUQCSA-N	-1	0	299.323	0.349	20	30		CCEDRM
C=C(CO)C(=O)N(C)Cc1cc(C(=O)[O-])c(C)o1	ZINC001588637732	983761215	/nfs/dbraw/zinc/76/12/15/983761215.db2.gz	UMPSSDUBIAPVJT-UHFFFAOYSA-N	-1	0	253.254	0.793	20	30		CCEDRM
CCN(CCNC(=O)C#CC1CC1)C(=O)[C@@H]1C[C@@H]1C(=O)[O-]	ZINC001596328930	983766010	/nfs/dbraw/zinc/76/60/10/983766010.db2.gz	GRWZIFOEWJVUKL-NEPJUHHUSA-N	-1	0	292.335	0.085	20	30		CCEDRM
C=C[C@@H](C(=O)[O-])N(C)Cc1nc([C@@H](C)OC)no1	ZINC001588664194	983799129	/nfs/dbraw/zinc/79/91/29/983799129.db2.gz	OCDJVZUGCLSWEZ-SFYZADRCSA-N	-1	0	255.274	0.848	20	30		CCEDRM
C=C[C@@H](C(=O)OC)N1CCC(O)(C2(C(=O)[O-])CCC2)CC1	ZINC001588671676	983821730	/nfs/dbraw/zinc/82/17/30/983821730.db2.gz	FLNUDYGZPVNSBP-NSHDSACASA-N	-1	0	297.351	0.796	20	30		CCEDRM
C=C[C@](C)(O)CC(=O)N(C)[C@H](COC(C)C)C(=O)[O-]	ZINC001588684273	983857609	/nfs/dbraw/zinc/85/76/09/983857609.db2.gz	ODXSOWBJQMRNCO-MFKMUULPSA-N	-1	0	273.329	0.650	20	30		CCEDRM
C=C[C@H](COC)NC(=O)c1cc(C(=O)[O-])nn1C	ZINC001588692749	983886204	/nfs/dbraw/zinc/88/62/04/983886204.db2.gz	JFTOTNHCZIZHJC-SSDOTTSWSA-N	-1	0	253.258	0.049	20	30		CCEDRM
C=C[C@@H](N[C@H](Cc1cncs1)C(=O)OC)C(=O)[O-]	ZINC001588696158	983902541	/nfs/dbraw/zinc/90/25/41/983902541.db2.gz	MCSHHVOUVFHLHT-RKDXNWHRSA-N	-1	0	270.310	0.456	20	30		CCEDRM
C=C[C@@H](O)C(=O)N[C@@H]1CCCn2nc(C(=O)[O-])cc21	ZINC001588706279	983930411	/nfs/dbraw/zinc/93/04/11/983930411.db2.gz	XTOUILCKHZBTNN-GMSGAONNSA-N	-1	0	265.269	0.079	20	30		CCEDRM
C=C[C@@H](OC(=O)CC[C@@H]1C[C@H](C(=O)[O-])CO1)C(=O)OC	ZINC001588712734	983945891	/nfs/dbraw/zinc/94/58/91/983945891.db2.gz	YUPPJKXMOXFOCM-IVZWLZJFSA-N	-1	0	286.280	0.527	20	30		CCEDRM
C=C[C@H](OC(=O)CC[C@@H]1C[C@H](C(=O)[O-])CO1)C(=O)OC	ZINC001588712733	983945904	/nfs/dbraw/zinc/94/59/04/983945904.db2.gz	YUPPJKXMOXFOCM-AEJSXWLSSA-N	-1	0	286.280	0.527	20	30		CCEDRM
C=C[C@H](Sc1nnnn1C[C@@H]1CCCO1)C(=O)[O-]	ZINC001588715064	983954638	/nfs/dbraw/zinc/95/46/38/983954638.db2.gz	SZEQUZDCYHGBAY-YUMQZZPRSA-N	-1	0	270.314	0.583	20	30		CCEDRM
C=CC[C@H](C(=O)[O-])N1CCN(c2cnn(C)c2)C(=O)C1	ZINC001588730572	984000252	/nfs/dbraw/zinc/00/02/52/984000252.db2.gz	UDNBBXKGUFOEHC-LLVKDONJSA-N	-1	0	278.312	0.098	20	30		CCEDRM
C=CCC(F)(F)C(=O)NC[C@@]1(C(=O)[O-])CCOC1	ZINC001588742680	984033899	/nfs/dbraw/zinc/03/38/99/984033899.db2.gz	IMZCNHGJDDWPBF-JTQLQIEISA-N	-1	0	263.240	0.805	20	30		CCEDRM
C=CC[C@@H](CO)NC(=O)C(=O)Nc1cccc(C(=O)[O-])c1	ZINC001588744240	984041503	/nfs/dbraw/zinc/04/15/03/984041503.db2.gz	IZOHJPZLTZICSE-NSHDSACASA-N	-1	0	292.291	0.377	20	30		CCEDRM
C=CC[C@H](CO)NC(=O)NCC(C)(C)CC(=O)[O-]	ZINC001588744492	984043341	/nfs/dbraw/zinc/04/33/41/984043341.db2.gz	NEKULBWUMTYBTN-SECBINFHSA-N	-1	0	258.318	0.724	20	30		CCEDRM
C=CC[C@H](OC(=O)[C@@]1(C)CCC(=O)NC1)C(=O)[O-]	ZINC001588752118	984079571	/nfs/dbraw/zinc/07/95/71/984079571.db2.gz	UNKPWNGUWPQLGL-UFBFGSQYSA-N	-1	0	255.270	0.475	20	30		CCEDRM
C=CC[C@@H](OC(=O)/C=C\Cn1cncn1)C(=O)[O-]	ZINC001588753793	984088714	/nfs/dbraw/zinc/08/87/14/984088714.db2.gz	NKSBYLVRJUAACG-AZVKUDOFSA-N	-1	0	251.242	0.407	20	30		CCEDRM
C=CC[C@H](OC(=O)c1nc(OC)cc(OC)n1)C(=O)[O-]	ZINC001588759194	984110618	/nfs/dbraw/zinc/11/06/18/984110618.db2.gz	RABZJVQVEYPOON-ZETCQYMHSA-N	-1	0	282.252	0.680	20	30		CCEDRM
C=CCC1(C(=O)NC[C@@H](O)CC(=O)[O-])CCOCC1	ZINC001588763704	984120730	/nfs/dbraw/zinc/12/07/30/984120730.db2.gz	WXNYPWKTRZACIE-JTQLQIEISA-N	-1	0	271.313	0.311	20	30		CCEDRM
C=CCC1(C(=O)NCCNC(=O)[C@@H]2C[C@@H]2C(=O)[O-])CCC1	ZINC001588764513	984122098	/nfs/dbraw/zinc/12/20/98/984122098.db2.gz	CEODYKCQGFEMSM-MNOVXSKESA-N	-1	0	294.351	0.686	20	30		CCEDRM
C=CCCC(=O)NCCN(C(=O)[C@@H]1C[C@H]1C(=O)[O-])C1CC1	ZINC001588776831	984153648	/nfs/dbraw/zinc/15/36/48/984153648.db2.gz	ITPDBEMHDPYZKA-VXGBXAGGSA-N	-1	0	294.351	0.781	20	30		CCEDRM
C=CCC[C@@H](CO)NC(=O)N[C@H]1C[C@@H]2C[C@]2(C(=O)[O-])C1	ZINC001588777577	984156805	/nfs/dbraw/zinc/15/68/05/984156805.db2.gz	DLTXTSZBEVSETD-ZHPDPMBESA-N	-1	0	282.340	0.866	20	30		CCEDRM
C=CCC[C@@H](CO)NC(=O)Cc1ccc(C(=O)[O-])nc1	ZINC001588778056	984158889	/nfs/dbraw/zinc/15/88/89/984158889.db2.gz	RZNOVNXUACBWFO-NSHDSACASA-N	-1	0	278.308	0.766	20	30		CCEDRM
C=CCCCC(=O)N[C@@H](CC1OCCO1)C(=O)[O-]	ZINC001588781841	984168451	/nfs/dbraw/zinc/16/84/51/984168451.db2.gz	JUFIRZFIBZZJHG-VIFPVBQESA-N	-1	0	257.286	0.675	20	30		CCEDRM
C=CCCC[C@@H](NC(=O)[C@H](C)CS(C)(=O)=O)C(=O)[O-]	ZINC001588787704	984187895	/nfs/dbraw/zinc/18/78/95/984187895.db2.gz	XXUDSNDJCFFHLB-NXEZZACHSA-N	-1	0	291.369	0.593	20	30		CCEDRM
C=CCCC[C@@H](NC(=O)[C@]1(COC)CCOC1)C(=O)[O-]	ZINC001588789535	984199164	/nfs/dbraw/zinc/19/91/64/984199164.db2.gz	DPYMJBYECXIVRA-RISCZKNCSA-N	-1	0	285.340	0.965	20	30		CCEDRM
C=CCCC[C@@H](NC(=O)c1[nH]ncc1[N+](=O)[O-])C(=O)[O-]	ZINC001588797878	984231656	/nfs/dbraw/zinc/23/16/56/984231656.db2.gz	MXYFPORFHUCFHP-SSDOTTSWSA-N	-1	0	282.256	0.857	20	30		CCEDRM
C=CCCC[C@H](NS(=O)(=O)c1c[nH]nc1C)C(=O)[O-]	ZINC001588798646	984237881	/nfs/dbraw/zinc/23/78/81/984237881.db2.gz	MSTJQSRVJHXOTL-VIFPVBQESA-N	-1	0	287.341	0.806	20	30		CCEDRM
C=CCCCN(CC)C(=O)NCCn1cc(C(=O)[O-])nn1	ZINC001588801642	984246225	/nfs/dbraw/zinc/24/62/25/984246225.db2.gz	PZUYSPBYYNJGQE-UHFFFAOYSA-N	-1	0	295.343	0.974	20	30		CCEDRM
C=CCCCCNC(=O)N1C[C@H](C(=O)[O-])[C@H](C(=O)OC)C1	ZINC001588802504	984250112	/nfs/dbraw/zinc/25/01/12/984250112.db2.gz	PLIFSSYRKDQHJI-WDEREUQCSA-N	-1	0	298.339	0.858	20	30		CCEDRM
C=CCCCNC(=O)C(=O)N[C@H]1C[C@@H]2C[C@]2(C(=O)[O-])C1	ZINC001588803704	984251804	/nfs/dbraw/zinc/25/18/04/984251804.db2.gz	DXFLXASSZHKVNY-BFVZDQMLSA-N	-1	0	280.324	0.438	20	30		CCEDRM
C=CCCn1cc(C(=O)O[C@@H](CC)C(=O)[O-])nn1	ZINC001588817156	984274913	/nfs/dbraw/zinc/27/49/13/984274913.db2.gz	AZFFSPDZPRBLKF-VIFPVBQESA-N	-1	0	253.258	0.874	20	30		CCEDRM
C=CCCn1cc(C(=O)NCCSCCC(=O)[O-])nn1	ZINC001588817727	984277454	/nfs/dbraw/zinc/27/74/54/984277454.db2.gz	SUAFIVHDZOOWFQ-UHFFFAOYSA-N	-1	0	298.368	0.792	20	30		CCEDRM
C=CCN(C(=O)C(=O)N[C@@H]1CC=C(C(=O)[O-])C1)C(C)C	ZINC001588819872	984279168	/nfs/dbraw/zinc/27/91/68/984279168.db2.gz	FQMGUPUZLXGNDC-LLVKDONJSA-N	-1	0	280.324	0.699	20	30		CCEDRM
C=CCN(CC=C)C(=O)[C@H](C)N1C[C@H](C)O[C@H](C(=O)[O-])C1	ZINC001588825190	984299196	/nfs/dbraw/zinc/29/91/96/984299196.db2.gz	FZIHAWINYGUJAZ-AVGNSLFASA-N	-1	0	296.367	0.749	20	30		CCEDRM
C=CCNC(=O)[C@@H](C)OC(=O)[C@H]1CC[C@H]1C(=O)[O-]	ZINC001588838623	984339906	/nfs/dbraw/zinc/33/99/06/984339906.db2.gz	HJARJFIVJCJTQV-HLTSFMKQSA-N	-1	0	255.270	0.331	20	30		CCEDRM
C=CCN1CC[C@H](OC(=O)CCCCC(=O)[O-])C1=O	ZINC001588839842	984350008	/nfs/dbraw/zinc/35/00/08/984350008.db2.gz	XCXMRDXTPBJDFD-JTQLQIEISA-N	-1	0	269.297	0.962	20	30		CCEDRM
C=CCNC(=O)NC(=O)COC(=O)c1cc(C(=O)[O-])co1	ZINC001588844091	984355684	/nfs/dbraw/zinc/35/56/84/984355684.db2.gz	PWWVGIQEQFWPCF-UHFFFAOYSA-N	-1	0	296.235	0.146	20	30		CCEDRM
C=CCNC(=O)CN[C@H](C(=O)[O-])c1ccc(OC)c(O)c1	ZINC001588844210	984356694	/nfs/dbraw/zinc/35/66/94/984356694.db2.gz	FJIJWYNWIQHJPZ-ZDUSSCGKSA-N	-1	0	294.307	0.418	20	30		CCEDRM
C=CCNC(=O)COC(=O)c1cccc(OCC(=O)[O-])c1	ZINC001588844511	984358574	/nfs/dbraw/zinc/35/85/74/984358574.db2.gz	JYFFNXSADACAQC-UHFFFAOYSA-N	-1	0	293.275	0.609	20	30		CCEDRM
C=CCNC(=O)COC(=O)c1ccc(C(=O)[O-])cn1	ZINC001588844495	984358856	/nfs/dbraw/zinc/35/88/56/984358856.db2.gz	JHAHAHRBRPLYHZ-UHFFFAOYSA-N	-1	0	264.237	0.239	20	30		CCEDRM
C=CCOC[C@H](NC(=O)CCc1cncnc1)C(=O)[O-]	ZINC001588854171	984388838	/nfs/dbraw/zinc/38/88/38/984388838.db2.gz	PXZHTFNNOXGAKD-NSHDSACASA-N	-1	0	279.296	0.181	20	30		CCEDRM
C=CCOC[C@H](NC(=O)C12CC(C(=O)OC)(C1)C2)C(=O)[O-]	ZINC001588856170	984397546	/nfs/dbraw/zinc/39/75/46/984397546.db2.gz	VUVPAGNAKBOBQZ-SQNUNTJVSA-N	-1	0	297.307	0.102	20	30		CCEDRM
C=CCOC[C@H](NC(=O)c1cc(C(=O)[O-])co1)C(=O)OC	ZINC001588859558	984406598	/nfs/dbraw/zinc/40/65/98/984406598.db2.gz	PXLCVHWGAPVSDU-VIFPVBQESA-N	-1	0	297.263	0.452	20	30		CCEDRM
C=CCOC[C@H](NC(=O)c1cnoc1C1CC1)C(=O)[O-]	ZINC001588859881	984409288	/nfs/dbraw/zinc/40/92/88/984409288.db2.gz	AEOLFHVBJPOZJP-JTQLQIEISA-N	-1	0	280.280	0.938	20	30		CCEDRM
C=CCOC[C@@H](NC(=O)c1cnc(C2CC2)nc1)C(=O)[O-]	ZINC001588859997	984409729	/nfs/dbraw/zinc/40/97/29/984409729.db2.gz	FEDUINHVIUWGJG-LLVKDONJSA-N	-1	0	291.307	0.740	20	30		CCEDRM
C=CCOC[C@@H](NC(=O)c1snnc1C1CC1)C(=O)[O-]	ZINC001588859929	984409757	/nfs/dbraw/zinc/40/97/57/984409757.db2.gz	BRGMMYPETOVLCB-MRVPVSSYSA-N	-1	0	297.336	0.801	20	30		CCEDRM
C=CCOC[C@H](NC(=O)c1ccc(Cl)nc1N)C(=O)[O-]	ZINC001588862260	984417890	/nfs/dbraw/zinc/41/78/90/984417890.db2.gz	TYPVWXOLUMZJFA-QMMMGPOBSA-N	-1	0	299.714	0.703	20	30		CCEDRM
C=CCn1c(-c2ncc[nH]2)nnc1N1CC[C@@H](C(=O)[O-])C1	ZINC001588891454	984488091	/nfs/dbraw/zinc/48/80/91/984488091.db2.gz	KYJQSGLDOUZTSA-SECBINFHSA-N	-1	0	288.311	0.765	20	30		CCEDRM
C=CCn1c([C@H](O)CC)nnc1N1CCO[C@H](C(=O)[O-])C1	ZINC001588896830	984505161	/nfs/dbraw/zinc/50/51/61/984505161.db2.gz	UNKWXFZZHWNWDE-ZJUUUORDSA-N	-1	0	296.327	0.197	20	30		CCEDRM
C=CCn1c(CCO)nnc1N1CC[C@@H](C(=O)[O-])[C@@H](C)C1	ZINC001588900139	984519793	/nfs/dbraw/zinc/51/97/93/984519793.db2.gz	BAWHGRLOMQCKQQ-WDEREUQCSA-N	-1	0	294.355	0.546	20	30		CCEDRM
C=CCn1nnnc1N(C1CC1)C1(C(=O)[O-])CCC1	ZINC001588913118	984554647	/nfs/dbraw/zinc/55/46/47/984554647.db2.gz	YUCZJUPJYPUHPP-UHFFFAOYSA-N	-1	0	263.301	0.835	20	30		CCEDRM
CC#CCCCC(=O)N1CC(NC(=O)[C@@H]2C[C@H]2C(=O)[O-])C1	ZINC001588924724	984582709	/nfs/dbraw/zinc/58/27/09/984582709.db2.gz	CCKUCCQGTDBRDM-VXGBXAGGSA-N	-1	0	292.335	0.228	20	30		CCEDRM
CC#CC[C@H](CO)NC(=O)c1ccsc1CC(=O)[O-]	ZINC001588926145	984591471	/nfs/dbraw/zinc/59/14/71/984591471.db2.gz	KWOHVPIEEGHGGR-SECBINFHSA-N	-1	0	281.333	0.879	20	30		CCEDRM
CC#CCN(C)C(=O)[C@H]1CC[C@@H](CCC(=O)[O-])O1	ZINC001588931158	984602059	/nfs/dbraw/zinc/60/20/59/984602059.db2.gz	NFNQLMXVCHJZDH-WDEREUQCSA-N	-1	0	253.298	0.881	20	30		CCEDRM
C[C@H]1CN(c2ncc(C#N)cc2[N+](=O)[O-])C[C@@H](C(=O)[O-])O1	ZINC001599932172	985334415	/nfs/dbraw/zinc/33/44/15/985334415.db2.gz	UELXIVAAVIGROI-XVKPBYJWSA-N	-1	0	292.251	0.540	20	30		CCEDRM
Cc1c(C#N)cccc1C(=O)NCC[C@H](O)C(=O)[O-]	ZINC001599973200	986043432	/nfs/dbraw/zinc/04/34/32/986043432.db2.gz	LSYWMELVSCTUSI-NSHDSACASA-N	-1	0	262.265	0.432	20	30		CCEDRM
Cc1c(C(=O)N2CC[C@@](F)(C(=O)[O-])C2)cnn1CCC#N	ZINC001599976282	986096071	/nfs/dbraw/zinc/09/60/71/986096071.db2.gz	XBWRVNQRJNFCBC-ZDUSSCGKSA-N	-1	0	294.286	0.744	20	30		CCEDRM
C[C@H](C#N)CN(C)C(=O)C(=O)N1C[C@@H](C)[C@H](CC(=O)[O-])C1	ZINC001589329662	986165748	/nfs/dbraw/zinc/16/57/48/986165748.db2.gz	RLEBKPXPBZYWOJ-GMTAPVOTSA-N	-1	0	295.339	0.174	20	30		CCEDRM
C[C@@H](C#N)CN(C)C(=O)Nc1nn(C)cc1C(=O)[O-]	ZINC001589330128	986170189	/nfs/dbraw/zinc/17/01/89/986170189.db2.gz	YXCGDEGYSQWYGO-ZETCQYMHSA-N	-1	0	265.273	0.742	20	30		CCEDRM
C[C@H](C#N)CN(C)S(=O)(=O)c1cc(C(=O)[O-])cn1C	ZINC001589330846	986179280	/nfs/dbraw/zinc/17/92/80/986179280.db2.gz	RYXONYROGFSRDM-MRVPVSSYSA-N	-1	0	285.325	0.503	20	30		CCEDRM
C[C@H](C(=O)N(C)C(C)(C)C(=O)[O-])n1cnc(C#N)n1	ZINC001589336213	986219429	/nfs/dbraw/zinc/21/94/29/986219429.db2.gz	XOBZQJITEWHESQ-SSDOTTSWSA-N	-1	0	265.273	0.032	20	30		CCEDRM
C[C@H]1CN(Cc2cnc(C(=O)[O-])cn2)C[C@H](C)N1CC#N	ZINC001594548046	986234074	/nfs/dbraw/zinc/23/40/74/986234074.db2.gz	PSOJQIACDLJVCF-QWRGUYRKSA-N	-1	0	289.339	0.593	20	30		CCEDRM
C[C@@H]1CN(c2ccc(C(=O)[O-])nn2)C[C@H](C)N1CC#N	ZINC001594568134	986368419	/nfs/dbraw/zinc/36/84/19/986368419.db2.gz	JUKOPMPTVVLXOM-AOOOYVTPSA-N	-1	0	275.312	0.597	20	30		CCEDRM
C[C@H](C(=O)NC(=O)NC(C)(C)C)N(CC#N)CCC(=O)[O-]	ZINC001589372952	986419882	/nfs/dbraw/zinc/41/98/82/986419882.db2.gz	AAFOKTMRZBFZFJ-SECBINFHSA-N	-1	0	298.343	0.299	20	30		CCEDRM
CC[C@H](C#N)C(=O)N[C@@H](C[C@H]1CCCOC1)C(=O)[O-]	ZINC001594722344	987211765	/nfs/dbraw/zinc/21/17/65/987211765.db2.gz	NCQDMWQNINDYIB-MXWKQRLJSA-N	-1	0	268.313	0.922	20	30		CCEDRM
CC[C@@H](C#N)C(=O)N1CC[C@@H](n2cc(C(=O)[O-])nn2)C1	ZINC001594722662	987214686	/nfs/dbraw/zinc/21/46/86/987214686.db2.gz	SHDRSARCEVRELK-DTWKUNHWSA-N	-1	0	277.284	0.299	20	30		CCEDRM
CC[S@](=O)CC(=O)O[C@@H](C(=O)[O-])c1cccc(C#N)c1	ZINC001597248793	987229879	/nfs/dbraw/zinc/22/98/79/987229879.db2.gz	CTYFOYLZWMFHJN-ODXCJYRJSA-N	-1	0	295.316	0.996	20	30		CCEDRM
CC(C)(C)[C@@H](C#N)OC(=O)CN1CCC[C@H](C(=O)[O-])C1=O	ZINC001589700544	987792705	/nfs/dbraw/zinc/79/27/05/987792705.db2.gz	ZCJHSNUJAFMBGQ-VHSXEESVSA-N	-1	0	296.323	0.791	20	30		CCEDRM
CSCCn1nnnc1N1CCC(C#N)(C(=O)[O-])CC1	ZINC001599801961	988191177	/nfs/dbraw/zinc/19/11/77/988191177.db2.gz	NDPQZPLOGUIPHF-UHFFFAOYSA-N	-1	0	296.356	0.231	20	30		CCEDRM
CCn1nc(C2CC2)cc1C(=O)N(CC#N)CC(=O)[O-]	ZINC001597945318	989929239	/nfs/dbraw/zinc/92/92/39/989929239.db2.gz	YKPOHPQXCZYDAL-UHFFFAOYSA-N	-1	0	276.296	0.831	20	30		CCEDRM
CCn1ncn(N=Cc2cccn2[C@@H](C)C(=O)[O-])c1=O	ZINC001597968439	990012935	/nfs/dbraw/zinc/01/29/35/990012935.db2.gz	UOSJKMCZMSZHIZ-VIFPVBQESA-N	-1	0	277.284	0.394	20	30		CCEDRM
CC(C)(CC(=O)[O-])NC(=O)Cc1ccc(C#N)nc1	ZINC001590642159	990331433	/nfs/dbraw/zinc/33/14/33/990331433.db2.gz	BUROBQLRUCCMTQ-UHFFFAOYSA-N	-1	0	261.281	0.865	20	30		CCEDRM
CN([C@@H](C(=O)[O-])c1ccc(C#N)cc1)C1CS(=O)(=O)C1	ZINC001598375685	991561010	/nfs/dbraw/zinc/56/10/10/991561010.db2.gz	CORWPQCFAJVAKT-GFCCVEGCSA-N	-1	0	294.332	0.413	20	30		CCEDRM
CN(CC#N)S(=O)(=O)c1cc(F)ccc1C(=O)[O-]	ZINC001598376635	991567364	/nfs/dbraw/zinc/56/73/64/991567364.db2.gz	YXCUHMUUJITYGC-UHFFFAOYSA-N	-1	0	272.257	0.668	20	30		CCEDRM
COc1nsc(CN2CC[C@@](O)(CC#N)C2)c1C(=O)[O-]	ZINC001599740481	991844118	/nfs/dbraw/zinc/84/41/18/991844118.db2.gz	UPAHBFKCQUGQKT-LBPRGKRZSA-N	-1	0	297.336	0.700	20	30		CCEDRM
CN(CCNC(=O)[C@H]1C[C@H]1C(=O)[O-])c1ccncc1C#N	ZINC001598490539	992282806	/nfs/dbraw/zinc/28/28/06/992282806.db2.gz	ISUAQXUUBBPLOB-WDEREUQCSA-N	-1	0	288.307	0.226	20	30		CCEDRM
CC(C)C[C@H](NC(=O)[C@@H](C)n1cnc(C#N)n1)C(=O)[O-]	ZINC001591450168	992556853	/nfs/dbraw/zinc/55/68/53/992556853.db2.gz	FJNNXPMAARMRDN-BDAKNGLRSA-N	-1	0	279.300	0.326	20	30		CCEDRM
CN1C[C@@H](C(=O)[O-])N(Cc2cccc(C#N)c2)CC1=O	ZINC001598562833	993106814	/nfs/dbraw/zinc/10/68/14/993106814.db2.gz	FJYPTIYCIOXDNU-LBPRGKRZSA-N	-1	0	273.292	0.285	20	30		CCEDRM
C[C@](NC(=O)c1cccc(C#N)n1)(C(=O)[O-])C1CC1	ZINC001593175522	994046646	/nfs/dbraw/zinc/04/66/46/994046646.db2.gz	PGLXZXDADHMSRL-CYBMUJFWSA-N	-1	0	259.265	0.936	20	30		CCEDRM
COC(=O)[C@@H]1C[C@H](C(=O)[O-])CCN1C(=O)C#CC(C)(C)C	ZINC001598746056	995595547	/nfs/dbraw/zinc/59/55/47/995595547.db2.gz	WTWHXAWDYYMIHG-MNOVXSKESA-N	-1	0	295.335	0.901	20	30		CCEDRM
COC(=O)[C@H]1C[C@@H](C(=O)[O-])CCN1C(=O)CCCC#N	ZINC001598751157	995654844	/nfs/dbraw/zinc/65/48/44/995654844.db2.gz	UYYVBHKKWVYJPE-VHSXEESVSA-N	-1	0	282.296	0.545	20	30		CCEDRM
C[C@H](OC(=O)c1ccc(CC#N)cc1)C(=O)C(=O)[O-]	ZINC001593579323	995694442	/nfs/dbraw/zinc/69/44/42/995694442.db2.gz	XQOUTSNWPKQYBA-QMMMGPOBSA-N	-1	0	261.233	0.952	20	30		CCEDRM
C[C@H](OC(=O)c1cscc1C#N)C(=O)NCC(=O)[O-]	ZINC001593600411	995752835	/nfs/dbraw/zinc/75/28/35/995752835.db2.gz	ZQLLHYLMQUDMPI-LURJTMIESA-N	-1	0	282.277	0.366	20	30		CCEDRM
COC(=O)C1CCC(NC(=O)C#CC(C)C)(C(=O)[O-])CC1	ZINC001598785898	996028840	/nfs/dbraw/zinc/02/88/40/996028840.db2.gz	VUJJVQQGLTWLPW-UHFFFAOYSA-N	-1	0	295.335	0.949	20	30		CCEDRM
C[C@@]1(C#N)CCN(C(=O)Cn2ccc(C(=O)[O-])n2)C1	ZINC001593743267	996366414	/nfs/dbraw/zinc/36/64/14/996366414.db2.gz	UXKSHGIKTSQWKF-LBPRGKRZSA-N	-1	0	262.269	0.343	20	30		CCEDRM
COC(=O)/C=C(/C)Cn1cc(C(=O)[O-])cc(C#N)c1=O	ZINC001598830433	996430720	/nfs/dbraw/zinc/43/07/20/996430720.db2.gz	IRHODBWFHJXINO-BAQGIRSFSA-N	-1	0	276.248	0.537	20	30		CCEDRM
COC(=O)[C@H]1CN(c2cc(C)ncc2C#N)C[C@@H]1C(=O)[O-]	ZINC001598830488	996431619	/nfs/dbraw/zinc/43/16/19/996431619.db2.gz	YBYJQVSCFFVWPF-QWRGUYRKSA-N	-1	0	289.291	0.572	20	30		CCEDRM
COC(=O)C[C@H](C)C(=O)N1CCC(C#N)(C(=O)[O-])CC1	ZINC001598835736	996483126	/nfs/dbraw/zinc/48/31/26/996483126.db2.gz	LJTZKFMFUBBSKD-VIFPVBQESA-N	-1	0	282.296	0.403	20	30		CCEDRM
COC(=O)CCN(CC#N)C(=O)c1ccsc1C(=O)[O-]	ZINC001598855365	996633973	/nfs/dbraw/zinc/63/39/73/996633973.db2.gz	RVURVYXVNNCNCW-UHFFFAOYSA-N	-1	0	296.304	0.975	20	30		CCEDRM
COC(=O)CCN(CC#N)C(=O)CCCCC(=O)[O-]	ZINC001598855705	996637044	/nfs/dbraw/zinc/63/70/44/996637044.db2.gz	YIDLLDMHHQCPCI-UHFFFAOYSA-N	-1	0	270.285	0.547	20	30		CCEDRM
COC(=O)CN(CC#N)Cc1ccc(C(=O)[O-])cn1	ZINC001598861409	996677885	/nfs/dbraw/zinc/67/78/85/996677885.db2.gz	YSSQWPYEINISRQ-UHFFFAOYSA-N	-1	0	263.253	0.278	20	30		CCEDRM
CC1(C)CNC(=O)CN1Cc1cccc(C(=O)[O-])c1C#N	ZINC001593948378	997009599	/nfs/dbraw/zinc/00/95/99/997009599.db2.gz	CIUSMLLHKUXMNX-UHFFFAOYSA-N	-1	0	287.319	0.967	20	30		CCEDRM
CC1(C)CNC(=O)[C@H]1N[C@H](C(=O)[O-])c1cccc(C#N)c1	ZINC001593949810	997018915	/nfs/dbraw/zinc/01/89/15/997018915.db2.gz	ZDXGLKBWMPYNDW-NWDGAFQWSA-N	-1	0	287.319	0.798	20	30		CCEDRM
COc1cc(CC(=O)N(CC#N)CC(=O)[O-])ccn1	ZINC001599397527	997154483	/nfs/dbraw/zinc/15/44/83/997154483.db2.gz	XYPUXPUALPWTDC-UHFFFAOYSA-N	-1	0	263.253	0.069	20	30		CCEDRM
COCC[C@](C)(C#N)NC(=O)Cn1cc(C(=O)[O-])cn1	ZINC001599207927	997443508	/nfs/dbraw/zinc/44/35/08/997443508.db2.gz	VPNUBKIWEJSFSL-GFCCVEGCSA-N	-1	0	280.284	0.016	20	30		CCEDRM
COCC[C@@](C)(C#N)NC(=O)Cc1ccc(C(=O)[O-])nc1	ZINC001599208085	997447779	/nfs/dbraw/zinc/44/77/79/997447779.db2.gz	ZQZRFSJZMYKTKV-AWEZNQCLSA-N	-1	0	291.307	0.757	20	30		CCEDRM
CON1CCC(C(=O)N(CC#N)CCC(=O)[O-])CC1	ZINC001599318900	997545748	/nfs/dbraw/zinc/54/57/48/997545748.db2.gz	UMWPCMAJUWGICT-UHFFFAOYSA-N	-1	0	269.301	0.087	20	30		CCEDRM
COc1cc(Cn2cc(C(=O)[O-])cc(C#N)c2=O)sn1	ZINC001599421363	997600696	/nfs/dbraw/zinc/60/06/96/997600696.db2.gz	YQIYRXKVRIVXFP-UHFFFAOYSA-N	-1	0	291.288	0.932	20	30		CCEDRM
COCCN(CC#N)C(=O)c1ccc(/C=C/C(=O)[O-])o1	ZINC001599231598	997870036	/nfs/dbraw/zinc/87/00/36/997870036.db2.gz	VVDLPVLGDGQQJW-HWKANZROSA-N	-1	0	278.264	0.990	20	30		CCEDRM
COCC#CC(=O)N1CCOc2c(cccc2C(=O)[O-])C1	ZINC001599137910	998074865	/nfs/dbraw/zinc/07/48/65/998074865.db2.gz	FJUHIXVRBLEYQL-UHFFFAOYSA-N	-1	0	289.287	0.756	20	30		CCEDRM
COCC#CC(=O)N1CCOc2ccccc2[C@@H]1C(=O)[O-]	ZINC001599139073	998095512	/nfs/dbraw/zinc/09/55/12/998095512.db2.gz	RZOYQMCFLUXNSR-CQSZACIVSA-N	-1	0	289.287	0.683	20	30		CCEDRM
COCC#CC(=O)N1CCOc2ccccc2[C@H]1C(=O)[O-]	ZINC001599139072	998095782	/nfs/dbraw/zinc/09/57/82/998095782.db2.gz	RZOYQMCFLUXNSR-AWEZNQCLSA-N	-1	0	289.287	0.683	20	30		CCEDRM
COC[C@@](C)(C#N)NC(=O)Cc1ccc(C(=O)[O-])nc1	ZINC001599143708	998176049	/nfs/dbraw/zinc/17/60/49/998176049.db2.gz	AEGMQHLLFHAIQJ-CYBMUJFWSA-N	-1	0	277.280	0.367	20	30		CCEDRM
CC1=C(C(=O)[O-])C[C@H](Cn2cnc(C#N)cc2=O)O1	ZINC001594108252	998176906	/nfs/dbraw/zinc/17/69/06/998176906.db2.gz	FQCFOVJHODKLJE-SECBINFHSA-N	-1	0	261.237	0.262	20	30		CCEDRM
COCCO[C@@H]1CCN(c2ccc(C(=O)[O-])nc2C#N)C1	ZINC001599249019	998196054	/nfs/dbraw/zinc/19/60/54/998196054.db2.gz	GMMCXZIPTIKHBL-SNVBAGLBSA-N	-1	0	291.307	0.893	20	30		CCEDRM
COC[C@H](NC(=O)c1ccc(C#N)cc1C)C(=O)[O-]	ZINC001599171524	998615698	/nfs/dbraw/zinc/61/56/98/998615698.db2.gz	HJFOPSUPTUWQHT-NSHDSACASA-N	-1	0	262.265	0.696	20	30		CCEDRM
COC[C@@H](NC(=O)[C@H](C#N)CCc1ccccc1)C(=O)[O-]	ZINC001599170677	998606552	/nfs/dbraw/zinc/60/65/52/998606552.db2.gz	ZQQXQVJHFKBPQN-QWHCGFSZSA-N	-1	0	290.319	0.975	20	30		CCEDRM
C[C@H]1[C@@H](C(=O)[O-])CCN1Cn1nc(CC#N)n(C)c1=S	ZINC001594168705	998650978	/nfs/dbraw/zinc/65/09/78/998650978.db2.gz	XKAWCENJTDMKKO-IUCAKERBSA-N	-1	0	295.368	0.770	20	30		CCEDRM
CO[C@@H](CS(=O)(=O)N(CC#N)CCC(=O)[O-])C1CC1	ZINC001599057184	999238337	/nfs/dbraw/zinc/23/83/37/999238337.db2.gz	GSPMHCMORYQKBF-JTQLQIEISA-N	-1	0	290.341	0.041	20	30		CCEDRM
C[C@@H]1CN(C(=O)C23CC(C(=O)[O-])(C2)C3)C[C@@H](C)N1CC#N	ZINC001594463237	999678087	/nfs/dbraw/zinc/67/80/87/999678087.db2.gz	UHXHCHCGBAMEOW-ASNHAOSHSA-N	-1	0	291.351	0.686	20	30		CCEDRM
Cc1[n-][nH]c(=NC(=O)c2cn(C3CC3)nn2)c1C#N	ZINC000600827583	362074915	/nfs/dbraw/zinc/07/49/15/362074915.db2.gz	WTJVHOISNDXKBZ-UHFFFAOYSA-N	-1	0	257.257	0.190	20	30		CCEDRM
C=C[C@](C)(CCOC)C(=O)[N-]S(=O)(=O)[C@@H](C)COC	ZINC000783098122	581335569	/nfs/dbraw/zinc/33/55/69/581335569.db2.gz	NEINHAHXZGKKIN-CMPLNLGQSA-N	-1	0	293.385	0.696	20	30		CCEDRM
CO[C@H](CS(=O)(=O)[N-]c1ccc(C#N)cn1)C1CC1	ZINC000573490535	334941892	/nfs/dbraw/zinc/94/18/92/334941892.db2.gz	NYTMWNKRHRBYSQ-LLVKDONJSA-N	-1	0	281.337	0.542	20	30		CCEDRM
N#Cc1ccc(CS(=O)(=O)N[C@@H]2COCC[C@H]2O)cc1	ZINC000601523012	362300806	/nfs/dbraw/zinc/30/08/06/362300806.db2.gz	TWZZEUSUXKJYNN-CHWSQXEVSA-N	-1	0	296.348	0.127	20	30		CCEDRM
N#Cc1c[n-][nH]c1=NC(=O)[C@H]1CCCN1CC(F)(F)F	ZINC000601638402	362336087	/nfs/dbraw/zinc/33/60/87/362336087.db2.gz	HIYWXHFQHOTNDP-MRVPVSSYSA-N	-1	0	287.245	0.668	20	30		CCEDRM
CCN(CC(C)C)C(=O)CCn1cc(C#N)c(=O)[n-]c1=O	ZINC000602055638	362469048	/nfs/dbraw/zinc/46/90/48/362469048.db2.gz	BXXBXWLDYLHGPH-UHFFFAOYSA-N	-1	0	292.339	0.715	20	30		CCEDRM
C[C@H](N(C)C(=O)Cn1cc(C#N)c(=O)[n-]c1=O)C1(C)CC1	ZINC000602113142	362496487	/nfs/dbraw/zinc/49/64/87/362496487.db2.gz	KWCDRYVCXVWYJU-VIFPVBQESA-N	-1	0	290.323	0.468	20	30		CCEDRM
C[C@H]1CCN(C(=O)Cn2cc(C#N)c(=O)[n-]c2=O)C[C@H]1C	ZINC000602134190	362514382	/nfs/dbraw/zinc/51/43/82/362514382.db2.gz	TYEXFGBHAKGDIT-VHSXEESVSA-N	-1	0	290.323	0.325	20	30		CCEDRM
N#Cc1ncn(CC(=O)Nc2cc([N+](=O)[O-])ccc2[O-])n1	ZINC000342985397	137108071	/nfs/dbraw/zinc/10/80/71/137108071.db2.gz	VPBYALDZBPVREG-UHFFFAOYSA-N	-1	0	288.223	0.402	20	30		CCEDRM
N#Cc1cccc(F)c1CC(=O)N=c1ccc(=O)[n-][nH]1	ZINC000343725460	137152794	/nfs/dbraw/zinc/15/27/94/137152794.db2.gz	ZZSVEZBRADCIJE-UHFFFAOYSA-N	-1	0	272.239	0.796	20	30		CCEDRM
CCN(CCC#N)S(=O)(=O)c1cc(C(=O)[O-])n(C)c1	ZINC000037838824	348212290	/nfs/dbraw/zinc/21/22/90/348212290.db2.gz	ZRHMTMAUQFWHBG-UHFFFAOYSA-N	-1	0	285.325	0.648	20	30		CCEDRM
C[C@@H]1CN(C(=O)N=c2[n-]n(C)cc2C#N)C[C@@]1(C)CO	ZINC000602888353	362867322	/nfs/dbraw/zinc/86/73/22/362867322.db2.gz	SSTJWNGLYSRDPG-RNCFNFMXSA-N	-1	0	277.328	0.196	20	30		CCEDRM
N#Cc1nc(NC(=O)c2ccc3[nH]c(=O)[nH]c3c2)[n-]c1C#N	ZINC000047475592	348378033	/nfs/dbraw/zinc/37/80/33/348378033.db2.gz	FEGSFIFYUAIDJF-UHFFFAOYSA-N	-1	0	293.246	0.575	20	30		CCEDRM
CS(=O)(=O)[N-]C(=O)CN1C(=O)[C@@H]2CCCC[C@H]2C1=O	ZINC000048478999	348410751	/nfs/dbraw/zinc/41/07/51/348410751.db2.gz	ICSGYIJRHZKZJH-HTQZYQBOSA-N	-1	0	288.325	0.078	20	30		CCEDRM
C[C@@H]1CN(C(=O)c2ccc(C#N)cn2)C[C@@H]1C(=O)[O-]	ZINC000104211906	185933183	/nfs/dbraw/zinc/93/31/83/185933183.db2.gz	RSRBUCOROINXDZ-SCZZXKLOSA-N	-1	0	259.265	0.746	20	30		CCEDRM
N#Cc1cccc(C(=O)N2CCOC[C@@H]2C(=O)[O-])c1	ZINC000088373427	349365032	/nfs/dbraw/zinc/36/50/32/349365032.db2.gz	NZQGKKCEXQZMMA-LLVKDONJSA-N	-1	0	260.249	0.484	20	30		CCEDRM
N#Cc1cccc(S(=O)(=O)N2CCOC[C@H]2C(=O)[O-])c1	ZINC000088377022	349366292	/nfs/dbraw/zinc/36/62/92/349366292.db2.gz	AAVAEXHTMSSQBN-NSHDSACASA-N	-1	0	296.304	0.032	20	30		CCEDRM
N#Cc1ccc(S(=O)(=O)N2CC[C@H]2C(=O)[O-])cc1	ZINC000290886546	197849196	/nfs/dbraw/zinc/84/91/96/197849196.db2.gz	CKZCTRSXFPEYKA-JTQLQIEISA-N	-1	0	266.278	0.406	20	30		CCEDRM
N#Cc1c[nH]nc1[N-]S(=O)(=O)c1cccc(C#N)c1	ZINC000105827567	186074826	/nfs/dbraw/zinc/07/48/26/186074826.db2.gz	KYOUFCNJFGPFBI-UHFFFAOYSA-N	-1	0	273.277	0.954	20	30		CCEDRM
COC[C@@H](NS(=O)(=O)Cc1ccc(C#N)cc1)C(=O)[O-]	ZINC000158589791	350660162	/nfs/dbraw/zinc/66/01/62/350660162.db2.gz	LAWCRPMPRXGOFS-LLVKDONJSA-N	-1	0	298.320	0.077	20	30		CCEDRM
N#Cc1ccc(NC(=O)CS(=O)(=O)c2ncc[n-]2)cc1	ZINC000172880850	351014725	/nfs/dbraw/zinc/01/47/25/351014725.db2.gz	HWFTXJYRFWUBNI-UHFFFAOYSA-N	-1	0	290.304	0.694	20	30		CCEDRM
N#Cc1ccc(S(=O)(=O)N2CC[C@H](CC(=O)[O-])C2)cn1	ZINC000228698244	352080961	/nfs/dbraw/zinc/08/09/61/352080961.db2.gz	LUGXBTIJYCPDCY-SECBINFHSA-N	-1	0	295.320	0.439	20	30		CCEDRM
Cc1cc(C#N)ccc1S(=O)(=O)NC[C@H](C)C(=O)[O-]	ZINC000230039904	352101020	/nfs/dbraw/zinc/10/10/20/352101020.db2.gz	SUWHVNJPDUISHG-VIFPVBQESA-N	-1	0	282.321	0.866	20	30		CCEDRM
CC[C@H](NS(=O)(=O)c1ccc(C#N)s1)C(=O)[O-]	ZINC000230323495	352111554	/nfs/dbraw/zinc/11/15/54/352111554.db2.gz	JWZBDSPKMHFDPV-ZETCQYMHSA-N	-1	0	274.323	0.761	20	30		CCEDRM
N#Cc1cn(CCNC(=O)c2cccs2)c(=O)[n-]c1=O	ZINC000603919141	363172134	/nfs/dbraw/zinc/17/21/34/363172134.db2.gz	WEJSOKHECIPRSU-UHFFFAOYSA-N	-1	0	290.304	0.312	20	30		CCEDRM
CC#CC[C@@H](NS(=O)(=O)c1ccccc1F)C(=O)[O-]	ZINC000275054257	353182331	/nfs/dbraw/zinc/18/23/31/353182331.db2.gz	SVWPXTKBLUMSLA-SNVBAGLBSA-N	-1	0	285.296	0.971	20	30		CCEDRM
C#C[C@H](C)NC(=O)C(C)(C)[N-]C(=O)C(F)(F)F	ZINC000277250467	353232592	/nfs/dbraw/zinc/23/25/92/353232592.db2.gz	DWGFIGLRQGOOTM-LURJTMIESA-N	-1	0	250.220	0.581	20	30		CCEDRM
C[C@@H]1CN(S(=O)(=O)c2ccc(C#N)o2)CC[C@@H]1C(=O)[O-]	ZINC000287426218	353646380	/nfs/dbraw/zinc/64/63/80/353646380.db2.gz	GLFGCDFCKQUPEW-SCZZXKLOSA-N	-1	0	298.320	0.883	20	30		CCEDRM
C[C@](O)(C[N-]S(=O)(=O)c1ccc(C#N)o1)C(F)(F)F	ZINC000287946900	353677155	/nfs/dbraw/zinc/67/71/55/353677155.db2.gz	WGFZEAMRDXGWCA-QMMMGPOBSA-N	-1	0	298.242	0.743	20	30		CCEDRM
N#CCCN(CCC#N)S(=O)(=O)c1ncc[n-]1	ZINC000310213723	354187942	/nfs/dbraw/zinc/18/79/42/354187942.db2.gz	DSWULOYGBVXAPQ-UHFFFAOYSA-N	-1	0	253.287	0.228	20	30		CCEDRM
Cc1[n-][nH]c(=NC(=O)c2cc3n(n2)CCCO3)c1C#N	ZINC000557822030	291045357	/nfs/dbraw/zinc/04/53/57/291045357.db2.gz	XFEZYJNJICWUSI-UHFFFAOYSA-N	-1	0	272.268	0.243	20	30		CCEDRM
Cn1cc([N-]S(=O)(=O)c2cncc(C#N)c2)cn1	ZINC000336790311	355162431	/nfs/dbraw/zinc/16/24/31/355162431.db2.gz	KZJSDXVWCTYIPV-UHFFFAOYSA-N	-1	0	263.282	0.488	20	30		CCEDRM
N#Cc1nc(NC(=O)[C@@H]2C[C@H]2C(F)F)[n-]c1C#N	ZINC000338368066	355333185	/nfs/dbraw/zinc/33/31/85/355333185.db2.gz	UOSYTHHOKSYYKY-RFZPGFLSSA-N	-1	0	251.196	0.993	20	30		CCEDRM
C=CCCn1cc(C(=O)NC[C@@H](C(=O)[O-])C(C)C)nn1	ZINC000655558614	412619838	/nfs/dbraw/zinc/61/98/38/412619838.db2.gz	KDLXKBBFLOYEBP-SNVBAGLBSA-N	-1	0	280.328	0.941	20	30		CCEDRM
N#Cc1cc(C(=O)NCc2n[nH]c(=O)[n-]2)ccc1F	ZINC000353646899	356265785	/nfs/dbraw/zinc/26/57/85/356265785.db2.gz	JWMVXQIMWHGCEK-UHFFFAOYSA-N	-1	0	261.216	0.451	20	30		CCEDRM
CS(=O)(=O)c1nnc(NC(=O)c2sccc2C#N)[n-]1	ZINC000354728311	356484133	/nfs/dbraw/zinc/48/41/33/356484133.db2.gz	MYHHNPVABMUROE-UHFFFAOYSA-N	-1	0	297.321	0.394	20	30		CCEDRM
N#CC[C@@H](CC(=O)N=c1cc(C(N)=O)[n-][nH]1)c1ccccc1	ZINC000619440365	366252502	/nfs/dbraw/zinc/25/25/02/366252502.db2.gz	YKBZIOQPOXIBMG-NSHDSACASA-N	-1	0	297.318	0.957	20	30		CCEDRM
N#Cc1ccnc(C(=O)N2CCC[C@H](c3n[nH]c(=O)[n-]3)C2)c1	ZINC000329059176	202173522	/nfs/dbraw/zinc/17/35/22/202173522.db2.gz	JBROOCSVWCTJKD-JTQLQIEISA-N	-1	0	298.306	0.797	20	30		CCEDRM
CC(C)OC(=O)CCNC(=O)N=c1[n-]n(C)cc1C#N	ZINC000610563175	363578238	/nfs/dbraw/zinc/57/82/38/363578238.db2.gz	VBOVXODBRUNDPP-UHFFFAOYSA-N	-1	0	279.300	0.177	20	30		CCEDRM
N#Cc1csc(C(=O)NCCc2nc(=O)o[n-]2)c1	ZINC000447635618	235964150	/nfs/dbraw/zinc/96/41/50/235964150.db2.gz	FGIIUIRXFLEGJE-UHFFFAOYSA-N	-1	0	264.266	0.269	20	30		CCEDRM
Cc1cc(=NC(=O)NC2CCN(CC#N)CC2)[n-]nc1C	ZINC000610713500	363601452	/nfs/dbraw/zinc/60/14/52/363601452.db2.gz	SCUYNNWHTXKSQF-UHFFFAOYSA-N	-1	0	288.355	0.625	20	30		CCEDRM
N#CCCCS(=O)(=O)NCC1(C(=O)[O-])CCC1	ZINC000556772131	358553441	/nfs/dbraw/zinc/55/34/41/358553441.db2.gz	AIXWUJOMXBNPNN-UHFFFAOYSA-N	-1	0	260.315	0.464	20	30		CCEDRM
C=C(C)CS(=O)(=O)N[C@@](C)(COC)CC(=O)[O-]	ZINC000573799273	359000786	/nfs/dbraw/zinc/00/07/86/359000786.db2.gz	FOWHEQNWGFOMRX-SNVBAGLBSA-N	-1	0	265.331	0.362	20	30		CCEDRM
C=C[C@@H](CCC(=O)[O-])NS(=O)(=O)CCCC(=O)OC	ZINC000580937042	359109594	/nfs/dbraw/zinc/10/95/94/359109594.db2.gz	QIUQQBBXILYIHK-VIFPVBQESA-N	-1	0	293.341	0.278	20	30		CCEDRM
C[C@H]1CC[C@@H](C(=O)[O-])N1S(=O)(=O)CCCC#N	ZINC000585742777	359270654	/nfs/dbraw/zinc/27/06/54/359270654.db2.gz	IHSZUYFIBNFUJJ-IUCAKERBSA-N	-1	0	260.315	0.557	20	30		CCEDRM
CCOCC(C)(C)CNC(=O)N=c1[n-]n(C)cc1C#N	ZINC000589001899	359355121	/nfs/dbraw/zinc/35/51/21/359355121.db2.gz	FBFOLKDQFXHFCQ-UHFFFAOYSA-N	-1	0	279.344	0.898	20	30		CCEDRM
CCO[C@H]1C[C@@H]1C(=O)N=c1[nH][n-]c(C2CC2)c1C#N	ZINC000588767374	359335994	/nfs/dbraw/zinc/33/59/94/359335994.db2.gz	YRBUAGGBKLZKFD-WPRPVWTQSA-N	-1	0	260.297	0.944	20	30		CCEDRM
C=C[C@@H](C(=O)OC)N1CCC[C@@H](c2n[n-]c(=O)o2)C1	ZINC000590737007	359513214	/nfs/dbraw/zinc/51/32/14/359513214.db2.gz	IEFGWMLYTQTOTP-BDAKNGLRSA-N	-1	0	267.285	0.682	20	30		CCEDRM
Cn1cc(C#N)c(=NC(=O)NC[C@H]2CCCC[C@@H]2O)[n-]1	ZINC000590819621	359527626	/nfs/dbraw/zinc/52/76/26/359527626.db2.gz	OOMDWWGGPIOWAX-KOLCDFICSA-N	-1	0	277.328	0.386	20	30		CCEDRM
N#Cc1ccc(CNC(=O)NCCC(=O)[O-])c(F)c1	ZINC000591269730	359574534	/nfs/dbraw/zinc/57/45/34/359574534.db2.gz	UWMGGDGUPVJJGA-UHFFFAOYSA-N	-1	0	265.244	0.971	20	30		CCEDRM
N#CCCCCNC(=O)NCC1(C(=O)[O-])CCOCC1	ZINC000592206214	359795335	/nfs/dbraw/zinc/79/53/35/359795335.db2.gz	YPLDMELBLPOCGV-UHFFFAOYSA-N	-1	0	283.328	0.861	20	30		CCEDRM
C=CCCO[C@H](C)C(=O)N=c1[n-]n(C)c(C)c1C#N	ZINC000592646468	359908172	/nfs/dbraw/zinc/90/81/72/359908172.db2.gz	OWIMEHGLWXOPBC-SNVBAGLBSA-N	-1	0	262.313	0.942	20	30		CCEDRM
Cc1c(C#N)c(=NC(=O)[C@H](C)n2cccn2)[n-]n1C	ZINC000592648319	359909577	/nfs/dbraw/zinc/90/95/77/359909577.db2.gz	XWGQYNWYEAQJML-VIFPVBQESA-N	-1	0	258.285	0.418	20	30		CCEDRM
N#CC[C@@]1(O)CCN(C(=O)c2s[n-]c(=O)c2Cl)C1	ZINC000592852668	359956134	/nfs/dbraw/zinc/95/61/34/359956134.db2.gz	MLNLCUSBSYUODF-SNVBAGLBSA-N	-1	0	287.728	0.993	20	30		CCEDRM
C[C@H](C#N)CN(C)S(=O)(=O)NCC(C)(C)CC(=O)[O-]	ZINC000593256530	360056652	/nfs/dbraw/zinc/05/66/52/360056652.db2.gz	JVPATCSJWBCRMF-SECBINFHSA-N	-1	0	291.373	0.413	20	30		CCEDRM
C=CCCn1cc(C[S@](=O)[C@@H](CC)C(=O)[O-])nn1	ZINC000593931319	360219605	/nfs/dbraw/zinc/21/96/05/360219605.db2.gz	INQBQFKRHCKUTD-YPMLDQLKSA-N	-1	0	271.342	0.966	20	30		CCEDRM
N#Cc1ccc(S(=O)(=O)N(CC(=O)[O-])C2CCC2)o1	ZINC000593945586	360221164	/nfs/dbraw/zinc/22/11/64/360221164.db2.gz	SJKJOGFBXPZIJB-UHFFFAOYSA-N	-1	0	284.293	0.779	20	30		CCEDRM
N#CCC1(CS(=O)(=O)N[C@H](CCF)C(=O)[O-])CC1	ZINC000594574011	360333120	/nfs/dbraw/zinc/33/31/20/360333120.db2.gz	VODSQGWKJPTEFW-MRVPVSSYSA-N	-1	0	278.305	0.412	20	30		CCEDRM
C[C@H](CNc1nc2c(cc1C#N)COCC2)C(=O)[O-]	ZINC000594540848	360326888	/nfs/dbraw/zinc/32/68/88/360326888.db2.gz	JNMOLTUKSDUAAI-MRVPVSSYSA-N	-1	0	261.281	0.580	20	30		CCEDRM
CC(C)(CC#N)CS(=O)(=O)N[C@]1(C(=O)[O-])CCOC1	ZINC000594689731	360360258	/nfs/dbraw/zinc/36/02/58/360360258.db2.gz	FFVWVYRVPWAUQH-LLVKDONJSA-N	-1	0	290.341	0.089	20	30		CCEDRM
COC1CCN(S(=O)(=O)[N-]c2nn(C)cc2C#N)CC1	ZINC000594704966	360363174	/nfs/dbraw/zinc/36/31/74/360363174.db2.gz	JCWLGDAVVRPNDW-UHFFFAOYSA-N	-1	0	299.356	0.059	20	30		CCEDRM
C=CC[C@H](CO)[N-]S(=O)(=O)c1ncccc1[N+](=O)[O-]	ZINC000594768091	360379492	/nfs/dbraw/zinc/37/94/92/360379492.db2.gz	JBTPDXCXFIIRJT-MRVPVSSYSA-N	-1	0	287.297	0.205	20	30		CCEDRM
N#Cc1ccc(CCNC(=O)[C@@H]2CC[C@@H](C(=O)[O-])O2)cc1	ZINC000594662351	360357051	/nfs/dbraw/zinc/35/70/51/360357051.db2.gz	XJCJRCWIZMSIKU-STQMWFEESA-N	-1	0	288.303	0.849	20	30		CCEDRM
CO[C@@](C)(C(=O)[O-])C(=O)NCc1ccc(CC#N)cc1	ZINC000595989039	360763743	/nfs/dbraw/zinc/76/37/43/360763743.db2.gz	LNUUZOWRTFARSA-CQSZACIVSA-N	-1	0	276.292	0.859	20	30		CCEDRM
C[C@@H](CC#N)N(C)C(=O)c1cc(S(N)(=O)=O)ccc1[O-]	ZINC000597143201	361015048	/nfs/dbraw/zinc/01/50/48/361015048.db2.gz	FKCFQEMKIMODLO-QMMMGPOBSA-N	-1	0	297.336	0.414	20	30		CCEDRM
C[C@H](CC#N)C(=O)N1CCC(c2n[nH]c(=O)[n-]2)CC1	ZINC000597598923	361155931	/nfs/dbraw/zinc/15/59/31/361155931.db2.gz	AULZSTOVOPBKDF-MRVPVSSYSA-N	-1	0	263.301	0.766	20	30		CCEDRM
C=CC[C@H](C)[N-]S(=O)(=O)c1cc(C(=O)OC)no1	ZINC000599234260	361617761	/nfs/dbraw/zinc/61/77/61/361617761.db2.gz	GTZPEKBPTLFPCC-ZETCQYMHSA-N	-1	0	274.298	0.704	20	30		CCEDRM
C=CC[C@@H](CC)NC(=O)C(=O)NC[C@H](C(=O)[O-])C(C)C	ZINC000655986506	412724832	/nfs/dbraw/zinc/72/48/32/412724832.db2.gz	FQNFXKFZFNRREC-MNOVXSKESA-N	-1	0	284.356	0.930	20	30		CCEDRM
Cn1cc(C#N)c(=NC(=O)NC(C)(C)C(C)(C)O)[n-]1	ZINC000612573597	363962041	/nfs/dbraw/zinc/96/20/41/363962041.db2.gz	SIZOOJZYGGRWOJ-UHFFFAOYSA-N	-1	0	265.317	0.385	20	30		CCEDRM
Cn1cc(C#N)c(=NC(=O)NC[C@H]2CCC(C)(C)O2)[n-]1	ZINC000614688616	364698873	/nfs/dbraw/zinc/69/88/73/364698873.db2.gz	UYHFZDSJJMUNBI-SNVBAGLBSA-N	-1	0	277.328	0.793	20	30		CCEDRM
C[C@H]1CSCCN(C(=O)N=c2[n-]n(C)cc2C#N)C1	ZINC000616990000	365509307	/nfs/dbraw/zinc/50/93/07/365509307.db2.gz	PVHPFDUGROIZTQ-SECBINFHSA-N	-1	0	279.369	0.930	20	30		CCEDRM
C=CCCCS(=O)(=O)N1C[C@@H](OC)C[C@]1(C)C(=O)[O-]	ZINC000629307362	369628406	/nfs/dbraw/zinc/62/84/06/369628406.db2.gz	CVYBEKHHUUFNII-CMPLNLGQSA-N	-1	0	291.369	0.846	20	30		CCEDRM
C=CC[C@H]1CCN(C(=O)C(=O)N(C)C[C@H](C)C(=O)[O-])C1	ZINC000629780656	369774118	/nfs/dbraw/zinc/77/41/18/369774118.db2.gz	SYVSXYFFGILZLT-QWRGUYRKSA-N	-1	0	282.340	0.590	20	30		CCEDRM
C=CCOC[C@@H](NC(=O)[C@@H](C)c1ccnn1C)C(=O)[O-]	ZINC000630187309	369996899	/nfs/dbraw/zinc/99/68/99/369996899.db2.gz	MTDMURHGPUSBSB-VHSXEESVSA-N	-1	0	281.312	0.296	20	30		CCEDRM
C=C(C)C[C@H](NC(=O)c1nc2ncc(C)cn2n1)C(=O)[O-]	ZINC000630322407	370046971	/nfs/dbraw/zinc/04/69/71/370046971.db2.gz	RWGSHAPSAHVIOH-VIFPVBQESA-N	-1	0	289.295	0.582	20	30		CCEDRM
C=C(C)C[C@@H](NC(=O)CCn1ccccc1=O)C(=O)[O-]	ZINC000630323885	370046997	/nfs/dbraw/zinc/04/69/97/370046997.db2.gz	BCBDWZQZJYUYNF-LLVKDONJSA-N	-1	0	278.308	0.774	20	30		CCEDRM
C=C(C)C[C@@H](NC(=O)Cc1nc(C2CC2)nn1C)C(=O)[O-]	ZINC000630322672	370047000	/nfs/dbraw/zinc/04/70/00/370047000.db2.gz	UMRHFTJAGGYUFK-SNVBAGLBSA-N	-1	0	292.339	0.771	20	30		CCEDRM
C=C(C)C[C@@H](NC(=O)COCC(F)F)C(=O)[O-]	ZINC000630321729	370047047	/nfs/dbraw/zinc/04/70/47/370047047.db2.gz	MDPIUVGNXGCGSS-SSDOTTSWSA-N	-1	0	251.229	0.804	20	30		CCEDRM
C=C(C)C[C@H](NC(=O)[C@H]1CCCS1(=O)=O)C(=O)[O-]	ZINC000630321800	370047048	/nfs/dbraw/zinc/04/70/48/370047048.db2.gz	NFXRWZAUVUQTRE-DTWKUNHWSA-N	-1	0	275.326	0.099	20	30		CCEDRM
C=CCC[C@@H](NC(=O)COCC(F)F)C(=O)[O-]	ZINC000630182680	369994066	/nfs/dbraw/zinc/99/40/66/369994066.db2.gz	PSLJHHANYSZHDW-SSDOTTSWSA-N	-1	0	251.229	0.804	20	30		CCEDRM
C=CCOC[C@H](NC(=O)Cc1c(C)nn(C)c1C)C(=O)[O-]	ZINC000630185487	369995069	/nfs/dbraw/zinc/99/50/69/369995069.db2.gz	CADMFNQUIXOIHV-LBPRGKRZSA-N	-1	0	295.339	0.351	20	30		CCEDRM
C=CCCS(=O)(=O)NC[C@]1(C(=O)[O-])CCCOC1	ZINC000630433844	370113841	/nfs/dbraw/zinc/11/38/41/370113841.db2.gz	YTMDIMRWIGJVAV-LLVKDONJSA-N	-1	0	277.342	0.363	20	30		CCEDRM
C=CCCO[C@H](C)C(=O)NC[C@]1(C(=O)[O-])CCCOC1	ZINC000630335209	370048829	/nfs/dbraw/zinc/04/88/29/370048829.db2.gz	HNXNLFFEXLGDSL-BXUZGUMPSA-N	-1	0	285.340	0.965	20	30		CCEDRM
C=C(C)C[C@H](NS(=O)(=O)CCCCOC)C(=O)[O-]	ZINC000630438762	370117456	/nfs/dbraw/zinc/11/74/56/370117456.db2.gz	YRFQUEPQDBDFLE-JTQLQIEISA-N	-1	0	279.358	0.752	20	30		CCEDRM
C=C(C)C[C@H](NS(=O)(=O)C[C@H]1CCCO1)C(=O)[O-]	ZINC000630438594	370117586	/nfs/dbraw/zinc/11/75/86/370117586.db2.gz	SITFDIXXQJSIHG-ZJUUUORDSA-N	-1	0	277.342	0.504	20	30		CCEDRM
C[C@H]1CCn2ncc(C(=O)N=c3[n-]n(C)cc3C#N)c2C1	ZINC000574401641	335016501	/nfs/dbraw/zinc/01/65/01/335016501.db2.gz	NJKCFULTOKUERP-VIFPVBQESA-N	-1	0	284.323	0.745	20	30		CCEDRM
C=C(C)COCCNC(=O)C[C@]1(C(=O)[O-])CCOC1	ZINC000634909736	372289899	/nfs/dbraw/zinc/28/98/99/372289899.db2.gz	MAPWAARPTGFOGK-CYBMUJFWSA-N	-1	0	271.313	0.577	20	30		CCEDRM
C=CCN(C(=O)c1cccc(-n2[n-]nnc2=N)c1)C1CC1	ZINC000635765155	372873432	/nfs/dbraw/zinc/87/34/32/372873432.db2.gz	NMWMQSAGYUMTMW-UHFFFAOYSA-N	-1	0	284.323	0.865	20	30		CCEDRM
Cn1ccc(S(=O)(=O)[N-]c2n[nH]c(C3CC3)c2C#N)n1	ZINC000568344576	291584076	/nfs/dbraw/zinc/58/40/76/291584076.db2.gz	HRXRFNLVDSVWFY-UHFFFAOYSA-N	-1	0	292.324	0.693	20	30		CCEDRM
C=CCOCCCNC(=O)N[C@H](C(=O)[O-])c1ccn(C)n1	ZINC000656595194	412833758	/nfs/dbraw/zinc/83/37/58/412833758.db2.gz	DTWNCPCBKXRTIE-NSHDSACASA-N	-1	0	296.327	0.438	20	30		CCEDRM
Cc1cc(S(=O)(=O)[N-]N2CCCNC2=O)ccc1C#N	ZINC000278006207	193815404	/nfs/dbraw/zinc/81/54/04/193815404.db2.gz	NXOICSAJGYEHAA-UHFFFAOYSA-N	-1	0	294.336	0.475	20	30		CCEDRM
C=CC[C@@H]1CCN(C(=O)N=c2ccc(C(=O)NC)n[n-]2)C1	ZINC000640328597	376323722	/nfs/dbraw/zinc/32/37/22/376323722.db2.gz	NIRSZNNUNBWCNK-SNVBAGLBSA-N	-1	0	289.339	0.688	20	30		CCEDRM
N#CCCCCS(=O)(=O)N1CCOC[C@@H]1CC(=O)[O-]	ZINC000364419498	262236063	/nfs/dbraw/zinc/23/60/63/262236063.db2.gz	QHINVZLJAIWWSV-JTQLQIEISA-N	-1	0	290.341	0.186	20	30		CCEDRM
C=CC[C@H](NS(=O)(=O)c1c(C)cnn1C)C(=O)[O-]	ZINC000284902458	388784707	/nfs/dbraw/zinc/78/47/07/388784707.db2.gz	AUFDRRBACDIVSK-QMMMGPOBSA-N	-1	0	273.314	0.036	20	30		CCEDRM
C=CCCCS(=O)(=O)N[C@@H](CC#CC)C(=O)[O-]	ZINC000291926429	388943366	/nfs/dbraw/zinc/94/33/66/388943366.db2.gz	VRLDNKLXLYPTDW-JTQLQIEISA-N	-1	0	259.327	0.739	20	30		CCEDRM
C=CCNC(=O)CN=c1[n-]nc(C2CCOCC2)s1	ZINC000338689227	389115176	/nfs/dbraw/zinc/11/51/76/389115176.db2.gz	PSMFAGGKKLYWRL-UHFFFAOYSA-N	-1	0	282.369	0.568	20	30		CCEDRM
CC[C@H](C#N)S(=O)(=O)[N-]c1cccnc1-n1cncn1	ZINC000360205110	389193679	/nfs/dbraw/zinc/19/36/79/389193679.db2.gz	RBAUGKQYHVESLY-SECBINFHSA-N	-1	0	292.324	0.706	20	30		CCEDRM
Cc1cccc(S(=O)(=O)NCC(=O)[O-])c1C#N	ZINC000340456086	389160326	/nfs/dbraw/zinc/16/03/26/389160326.db2.gz	VNLRNTCHNHTONS-UHFFFAOYSA-N	-1	0	254.267	0.230	20	30		CCEDRM
O=C(NCCN1CCOCC1)c1csc(=O)[nH]1	ZINC000329927306	389211359	/nfs/dbraw/zinc/21/13/59/389211359.db2.gz	WUTBKOQJLWVGLT-UHFFFAOYSA-N	-1	0	257.315	0.486	20	30		CCEDRM
C=CCN(Cc1ccccc1)C(=O)c1nc(=O)[nH][n-]1	ZINC000156071489	389323681	/nfs/dbraw/zinc/32/36/81/389323681.db2.gz	WIUQRUSTUAHSRK-UHFFFAOYSA-N	-1	0	258.281	0.926	20	30		CCEDRM
Cn1cccc(N=C([O-])N2CCC[C@H](OCCO)C2)c1=O	ZINC000331214087	389300905	/nfs/dbraw/zinc/30/09/05/389300905.db2.gz	MODBZFOQNPABPL-NSHDSACASA-N	-1	0	295.339	0.404	20	30		CCEDRM
CC(C)(C)C(=O)[N-]S(=O)(=O)c1cncc(C#N)c1	ZINC000408490121	389368053	/nfs/dbraw/zinc/36/80/53/389368053.db2.gz	YVBMJSIVIKNQIY-UHFFFAOYSA-N	-1	0	267.310	0.804	20	30		CCEDRM
C=C[C@@H]1OCC[C@H]1C(=O)[N-]S(=O)(=O)C1(C)CC1	ZINC000408500557	389370259	/nfs/dbraw/zinc/37/02/59/389370259.db2.gz	WVVONBWJPBVHOJ-BDAKNGLRSA-N	-1	0	259.327	0.576	20	30		CCEDRM
CC[C@@H](CS(=O)(=O)[N-]c1c(C#N)cnn1CC)OC	ZINC000421251004	389356177	/nfs/dbraw/zinc/35/61/77/389356177.db2.gz	ORGPLWXAKIHLJA-JTQLQIEISA-N	-1	0	286.357	0.941	20	30		CCEDRM
N#Cc1cc(C(=O)[N-]S(=O)(=O)C2CCC2)ccn1	ZINC000408483564	389365453	/nfs/dbraw/zinc/36/54/53/389365453.db2.gz	MTRGKDNDHNVCFT-UHFFFAOYSA-N	-1	0	265.294	0.565	20	30		CCEDRM
CC#CCCNC(=O)N=c1[n-]nc(CC(=O)OCC)s1	ZINC000349924339	389460995	/nfs/dbraw/zinc/46/09/95/389460995.db2.gz	BSENFOZYSXSTCL-UHFFFAOYSA-N	-1	0	296.352	0.601	20	30		CCEDRM
N#CCCn1ccc([N-]S(=O)(=O)C[C@@H]2CCCO2)n1	ZINC000172370091	389487634	/nfs/dbraw/zinc/48/76/34/389487634.db2.gz	SVPVNSVRFJYMGM-JTQLQIEISA-N	-1	0	284.341	0.717	20	30		CCEDRM
Cc1nn(C)c(C)c1C(=O)/C=C/c1cn(CC(=O)[O-])nn1	ZINC000270413088	389431805	/nfs/dbraw/zinc/43/18/05/389431805.db2.gz	IQNYMEAYMPMFOF-SNAWJCMRSA-N	-1	0	289.295	0.609	20	30		CCEDRM
Cn1ccc([N-]S(=O)(=O)c2ccc(C#N)nc2)n1	ZINC000164973795	389438147	/nfs/dbraw/zinc/43/81/47/389438147.db2.gz	QQGHXXKGCBNXTM-UHFFFAOYSA-N	-1	0	263.282	0.488	20	30		CCEDRM
N#Cc1ccccc1CS(=O)(=O)c1n[n-]c(=N)s1	ZINC000350214853	389497937	/nfs/dbraw/zinc/49/79/37/389497937.db2.gz	CBDIFDRBRVNITA-UHFFFAOYSA-N	-1	0	280.334	0.796	20	30		CCEDRM
C=CCCn1cc(C(=O)N(C)C[C@H](C)c2nnn[n-]2)nn1	ZINC000424780525	389632729	/nfs/dbraw/zinc/63/27/29/389632729.db2.gz	MZVIVKDTZTUUFU-VIFPVBQESA-N	-1	0	290.331	0.243	20	30		CCEDRM
C=CCCn1cc(C(=O)N[C@@](C)(CC)C(=O)[O-])nn1	ZINC000425246117	389642999	/nfs/dbraw/zinc/64/29/99/389642999.db2.gz	KUHLKJGDSUTPEZ-LBPRGKRZSA-N	-1	0	266.301	0.837	20	30		CCEDRM
C=CCCn1cc(C(=O)NC[C@H](C)CC(=O)[O-])nn1	ZINC000425242270	389643199	/nfs/dbraw/zinc/64/31/99/389643199.db2.gz	OMKKAEHZWMEUIZ-SECBINFHSA-N	-1	0	266.301	0.695	20	30		CCEDRM
C=CCCn1cc(C(=O)NC2(CC(=O)[O-])CCC2)nn1	ZINC000425250543	389643228	/nfs/dbraw/zinc/64/32/28/389643228.db2.gz	WEOFICHSHUMYLW-UHFFFAOYSA-N	-1	0	278.312	0.981	20	30		CCEDRM
N#Cc1cscc1C(=O)NCCc1nc(=O)o[n-]1	ZINC000351773077	389677473	/nfs/dbraw/zinc/67/74/73/389677473.db2.gz	BQSVBXWBNJICBQ-UHFFFAOYSA-N	-1	0	264.266	0.269	20	30		CCEDRM
C=C(C)CNC(=O)C(=O)N=c1ncn(C(C)(C)C)[n-]1	ZINC000427084952	389679857	/nfs/dbraw/zinc/67/98/57/389679857.db2.gz	BNEQOBRXLXJRHG-UHFFFAOYSA-N	-1	0	265.317	0.086	20	30		CCEDRM
Cc1ncc(S(=O)(=O)NCC2(C(=O)[O-])CC2)cc1C#N	ZINC000380681615	389763915	/nfs/dbraw/zinc/76/39/15/389763915.db2.gz	KANFYRKKLALWQS-UHFFFAOYSA-N	-1	0	295.320	0.405	20	30		CCEDRM
CCN(C[C@H](C)C#N)C(=O)Cc1n[n-]c(=NC)s1	ZINC000352433611	389810234	/nfs/dbraw/zinc/81/02/34/389810234.db2.gz	WUORMRWCIDUQTA-MRVPVSSYSA-N	-1	0	267.358	0.552	20	30		CCEDRM
C=CCCO[C@H](C)C(=O)N(C)C[C@H](C)c1nnn[n-]1	ZINC000352472555	389816370	/nfs/dbraw/zinc/81/63/70/389816370.db2.gz	GVMWIVUIQXMPEN-VHSXEESVSA-N	-1	0	267.333	0.743	20	30		CCEDRM
COC[C@](C)(NCc1nc(C#N)cs1)C(=O)[O-]	ZINC000417563107	389831037	/nfs/dbraw/zinc/83/10/37/389831037.db2.gz	CWVAQXVJFIIGMP-JTQLQIEISA-N	-1	0	255.299	0.594	20	30		CCEDRM
Cn1nccc1S(=O)(=O)[N-]c1ncccc1C#N	ZINC000443146892	389874556	/nfs/dbraw/zinc/87/45/56/389874556.db2.gz	QPFOUSPLSJQHRQ-UHFFFAOYSA-N	-1	0	263.282	0.488	20	30		CCEDRM
Cc1[n-][nH]c(=NC(=O)c2cnc3ccccn3c2=O)c1C#N	ZINC000431699579	389864532	/nfs/dbraw/zinc/86/45/32/389864532.db2.gz	RJDOEKUMNUBTMD-UHFFFAOYSA-N	-1	0	294.274	0.272	20	30		CCEDRM
N#C[C@]1(NC(=O)c2c([O-])cccc2F)CCOC1	ZINC000436924357	389987327	/nfs/dbraw/zinc/98/73/27/389987327.db2.gz	GFOCIGLMNNSTLK-GFCCVEGCSA-N	-1	0	250.229	0.944	20	30		CCEDRM
C=CCCCNC(=O)C(=O)N1CC[C@H](C(=O)[O-])C1	ZINC000420572700	390013298	/nfs/dbraw/zinc/01/32/98/390013298.db2.gz	YVKUMKNRIHBPIA-VIFPVBQESA-N	-1	0	254.286	0.002	20	30		CCEDRM
CC#CCS(=O)(=O)[N-]C(=O)/C=C\c1ccn(C)c1	ZINC000493023424	390118772	/nfs/dbraw/zinc/11/87/72/390118772.db2.gz	LPCXBKITPIBRCL-WAYWQWQTSA-N	-1	0	266.322	0.508	20	30		CCEDRM
CC(=O)N[C@@H](C)C(=O)N=c1[n-]n(C(C)(C)C)cc1C#N	ZINC000488700448	390095399	/nfs/dbraw/zinc/09/53/99/390095399.db2.gz	JTYWFGXKCNHCAH-QMMMGPOBSA-N	-1	0	277.328	0.395	20	30		CCEDRM
Cc1ccc(/C=C\C(=O)[N-]S(=O)(=O)CCC#N)o1	ZINC000493435816	390125521	/nfs/dbraw/zinc/12/55/21/390125521.db2.gz	URIOHIDXODEREN-WAYWQWQTSA-N	-1	0	268.294	0.961	20	30		CCEDRM
C=CCn1cc(C(=O)NC2(C(=O)[O-])CCCC2)nn1	ZINC000647727077	390147354	/nfs/dbraw/zinc/14/73/54/390147354.db2.gz	HDSHZMBJMUYIBJ-UHFFFAOYSA-N	-1	0	264.285	0.591	20	30		CCEDRM
C=CCN(CC(=O)[O-])S(=O)(=O)CCCC(=O)OCC	ZINC000547917054	390408682	/nfs/dbraw/zinc/40/86/82/390408682.db2.gz	ZZEKSALNRPFFDQ-UHFFFAOYSA-N	-1	0	293.341	0.232	20	30		CCEDRM
C=C[C@@H]1OCC[C@H]1C(=O)N=c1cc(C(=O)OCC)[n-][nH]1	ZINC000562534200	390489667	/nfs/dbraw/zinc/48/96/67/390489667.db2.gz	KHBTUTUSMHOETK-SCZZXKLOSA-N	-1	0	279.296	0.538	20	30		CCEDRM
C=CCOC[C@H](NC(=O)[C@@H]1O[C@H](C)C[C@@H]1C)C(=O)[O-]	ZINC000515487485	390476389	/nfs/dbraw/zinc/47/63/89/390476389.db2.gz	VOVUPNUETFMGSQ-ZRUFSTJUSA-N	-1	0	271.313	0.572	20	30		CCEDRM
C=CC[C@H](NS(=O)(=O)[C@@H]1CCO[C@H](C)C1)C(=O)[O-]	ZINC000646041041	390580047	/nfs/dbraw/zinc/58/00/47/390580047.db2.gz	KDWREPGVNCDZDI-BBBLOLIVSA-N	-1	0	277.342	0.503	20	30		CCEDRM
C=CC[C@H](NS(=O)(=O)[C@@H]1CCO[C@@H](C)C1)C(=O)[O-]	ZINC000646041040	390580366	/nfs/dbraw/zinc/58/03/66/390580366.db2.gz	KDWREPGVNCDZDI-AEJSXWLSSA-N	-1	0	277.342	0.503	20	30		CCEDRM
CCN(C[C@H](C)C(=O)[O-])S(=O)(=O)N(C)C[C@@H](C)C#N	ZINC000565838039	390551533	/nfs/dbraw/zinc/55/15/33/390551533.db2.gz	VEICUIJUMXPKJB-UWVGGRQHSA-N	-1	0	291.373	0.365	20	30		CCEDRM
C=CCOC[C@@H](NC(=O)NC1CCSCC1)C(=O)[O-]	ZINC000566952156	390661309	/nfs/dbraw/zinc/66/13/09/390661309.db2.gz	GNPYIIFQYWZYIR-SNVBAGLBSA-N	-1	0	288.369	0.837	20	30		CCEDRM
CC(C)[C@H](CNS(=O)(=O)N(C)C[C@H](C)C#N)C(=O)[O-]	ZINC000568001589	390711865	/nfs/dbraw/zinc/71/18/65/390711865.db2.gz	BTUZAZUKPOOTOF-ZJUUUORDSA-N	-1	0	291.373	0.269	20	30		CCEDRM
C[C@@H]1CN(S(=O)(=O)CC2(C#N)CC2)CC[C@@H]1C(=O)[O-]	ZINC000526944189	390684932	/nfs/dbraw/zinc/68/49/32/390684932.db2.gz	BHMZNGDEULOFEU-ZJUUUORDSA-N	-1	0	286.353	0.663	20	30		CCEDRM
COCc1nc(=NC(=O)Cc2ccc(C#N)nc2)s[n-]1	ZINC000529020066	390787945	/nfs/dbraw/zinc/78/79/45/390787945.db2.gz	VWQXYPBVBJSSDD-UHFFFAOYSA-N	-1	0	289.320	0.554	20	30		CCEDRM
COC(=O)CCc1n[n-]c(=NC(=O)NC[C@H](C)C#N)s1	ZINC000532057358	390878952	/nfs/dbraw/zinc/87/89/52/390878952.db2.gz	HIQVITSUTJARPM-SSDOTTSWSA-N	-1	0	297.340	0.347	20	30		CCEDRM
COc1cc(C#N)ccc1OCC(=O)N(C)CC(=O)[O-]	ZINC000261694700	131163094	/nfs/dbraw/zinc/16/30/94/131163094.db2.gz	NHXMLVDADMPKLZ-UHFFFAOYSA-N	-1	0	278.264	0.489	20	30		CCEDRM
N#Cc1ccc(OCC(=O)NCCSCC(=O)[O-])cc1	ZINC000262348830	131213677	/nfs/dbraw/zinc/21/36/77/131213677.db2.gz	AWRUNCGKBBURSG-UHFFFAOYSA-N	-1	0	294.332	0.871	20	30		CCEDRM
CC#CCCCC(=O)[N-]S(=O)(=O)[C@H]1CCCOC1	ZINC000768010209	581640914	/nfs/dbraw/zinc/64/09/14/581640914.db2.gz	LWIWKZIFHLXCTI-NSHDSACASA-N	-1	0	273.354	0.805	20	30		CCEDRM
Cc1[n-][nH]c(=NC(=O)c2cn(-c3ccccc3)nn2)c1C#N	ZINC000357238939	144072025	/nfs/dbraw/zinc/07/20/25/144072025.db2.gz	GQXOXKVKQPZWOO-UHFFFAOYSA-N	-1	0	293.290	0.845	20	30		CCEDRM
Cc1[n-][nH]c(=NC(=O)c2ccnc(-n3cccn3)c2)c1C#N	ZINC000357240968	144072823	/nfs/dbraw/zinc/07/28/23/144072823.db2.gz	JFDDZDIALUCZHF-UHFFFAOYSA-N	-1	0	293.290	0.845	20	30		CCEDRM
N#Cc1ccc(NCCc2n[n-]c(=N)o2)cc1[N+](=O)[O-]	ZINC000357680114	144112116	/nfs/dbraw/zinc/11/21/16/144112116.db2.gz	KSEJTYROASCFOZ-UHFFFAOYSA-N	-1	0	274.240	0.917	20	30		CCEDRM
CCN(CC(=O)[O-])S(=O)(=O)c1ccc(C#N)cc1F	ZINC000548566509	286048368	/nfs/dbraw/zinc/04/83/68/286048368.db2.gz	UZUWWYXQBVVIJU-UHFFFAOYSA-N	-1	0	286.284	0.793	20	30		CCEDRM
N#Cc1ccc2c(c1)N(C(=O)c1n[nH]c(=O)[n-]1)CC2	ZINC000550289606	286107903	/nfs/dbraw/zinc/10/79/03/286107903.db2.gz	RKXZGQMHVVYHTR-UHFFFAOYSA-N	-1	0	255.237	0.585	20	30		CCEDRM
C=CCOC[C@H](NC(=O)C1CC2(CC2)C1)C(=O)[O-]	ZINC000659157056	413317059	/nfs/dbraw/zinc/31/70/59/413317059.db2.gz	QMUJMYHBBQELCP-JTQLQIEISA-N	-1	0	253.298	0.949	20	30		CCEDRM
C=CCOC[C@@H](NC(=O)NCC1(COC)CC1)C(=O)[O-]	ZINC000653532470	412312253	/nfs/dbraw/zinc/31/22/53/412312253.db2.gz	SLGDYJVATSFKMK-SNVBAGLBSA-N	-1	0	286.328	0.368	20	30		CCEDRM
C=CCOC[C@H](NC(=O)CCn1cccc1)C(=O)[O-]	ZINC000653658616	412333426	/nfs/dbraw/zinc/33/34/26/412333426.db2.gz	ZVAHGQUSEJRVID-NSHDSACASA-N	-1	0	266.297	0.650	20	30		CCEDRM
C=CCOCCNS(=O)(=O)c1cncc(C(=O)[O-])c1	ZINC000663430457	415065815	/nfs/dbraw/zinc/06/58/15/415065815.db2.gz	QVLMQZTWIUJVEP-UHFFFAOYSA-N	-1	0	286.309	0.261	20	30		CCEDRM
CC[C@H](C(=O)Nc1nc(C#N)c(C#N)[n-]1)C(=O)OC	ZINC000282934596	287512174	/nfs/dbraw/zinc/51/21/74/287512174.db2.gz	MCUNYPCJEYBNTR-ZCFIWIBFSA-N	-1	0	261.241	0.291	20	30		CCEDRM
O=C(N=c1cn[n-]s1)N1CCN2C(=O)CC[C@H]2C1	ZINC000330239152	228076783	/nfs/dbraw/zinc/07/67/83/228076783.db2.gz	DQKXRKCAHKPZGG-ZETCQYMHSA-N	-1	0	267.314	0.390	20	30		CCEDRM
O=C(NCc1n[nH]c(=O)[n-]1)C1(N2CCOCC2)CCC1	ZINC000329310712	545021653	/nfs/dbraw/zinc/02/16/53/545021653.db2.gz	CKJABTTXJPXGLY-UHFFFAOYSA-N	-1	0	281.316	0.222	20	30		CCEDRM
NC(=O)[C@@H]1CC[C@H](C/N=C/c2cc([N+](=O)[O-])ccc2[O-])O1	ZINC000159839070	261195270	/nfs/dbraw/zinc/19/52/70/261195270.db2.gz	PASGJSFKHHUFQA-HIISMJTJSA-N	-1	0	293.279	0.752	20	30		CCEDRM
N#CCCCCS(=O)(=O)N[C@@H]1C=C[C@@H](C(=O)[O-])C1	ZINC000275085081	263032467	/nfs/dbraw/zinc/03/24/67/263032467.db2.gz	ZLGHORXBHWDOKS-NXEZZACHSA-N	-1	0	272.326	0.629	20	30		CCEDRM
COC[C@H](O)C/N=C/c1cc([N+](=O)[O-])ccc1[O-]	ZINC000282608043	263077839	/nfs/dbraw/zinc/07/78/39/263077839.db2.gz	GZZVBABVVQNASV-STCRIKGOSA-N	-1	0	254.242	0.727	20	30		CCEDRM
C=CCCCS(=O)(=O)NC[C@](C)(CO)CC(=O)[O-]	ZINC000291873086	263126120	/nfs/dbraw/zinc/12/61/20/263126120.db2.gz	LSKZOTUAMDGBCD-LLVKDONJSA-N	-1	0	279.358	0.345	20	30		CCEDRM
CC(C)C[C@@H](NS(=O)(=O)N(C)CCC#N)C(=O)[O-]	ZINC000340538823	263191714	/nfs/dbraw/zinc/19/17/14/263191714.db2.gz	WGNKJDRBBQCMOP-SECBINFHSA-N	-1	0	277.346	0.166	20	30		CCEDRM
Cn1cccc(N/C([O-])=N/C[C@@]2(O)CCSC2)c1=O	ZINC000331071374	264113481	/nfs/dbraw/zinc/11/34/81/264113481.db2.gz	TUONMLKQHFDWJS-LBPRGKRZSA-N	-1	0	283.353	0.579	20	30		CCEDRM
CC(C)(O)CCNC(=O)c1cccn2c([O-])nnc12	ZINC000331135513	264134421	/nfs/dbraw/zinc/13/44/21/264134421.db2.gz	UXVKUFKJLKOFAX-UHFFFAOYSA-N	-1	0	264.285	0.901	20	30		CCEDRM
N#Cc1ccnc([N-]c2ccn(CCO)n2)c1[N+](=O)[O-]	ZINC000532364242	269977181	/nfs/dbraw/zinc/97/71/81/269977181.db2.gz	DPBNLQAWQTWFJA-UHFFFAOYSA-N	-1	0	274.240	0.216	20	30		CCEDRM
C=CCCCS(=O)(=O)N[C@@H](COCC)C(=O)[O-]	ZINC000291884269	264845518	/nfs/dbraw/zinc/84/55/18/264845518.db2.gz	NKXKHYLIIYQWKD-VIFPVBQESA-N	-1	0	265.331	0.362	20	30		CCEDRM
N#CCCC[C@H](N)C(=O)N=c1cc(C(F)(F)F)[n-][nH]1	ZINC000518973151	265266122	/nfs/dbraw/zinc/26/61/22/265266122.db2.gz	FAUSDEJTKIRKKF-LURJTMIESA-N	-1	0	275.234	0.810	20	30		CCEDRM
CC1(C(=O)N2CC(n3cc(C#N)c(=O)[n-]c3=O)C2)CCC1	ZINC000530270536	266961832	/nfs/dbraw/zinc/96/18/32/266961832.db2.gz	MZLBBZYCKWSMTN-UHFFFAOYSA-N	-1	0	288.307	0.394	20	30		CCEDRM
CCn1cc(C#N)c(=O)n(Cc2cccc(C(=O)[O-])c2)c1=O	ZINC000521936936	267249978	/nfs/dbraw/zinc/24/99/78/267249978.db2.gz	LCZUOADETWJQOW-UHFFFAOYSA-N	-1	0	299.286	0.648	20	30		CCEDRM
C=CC[C@H](CC)NC(=O)N1CCO[C@H](C(=O)[O-])C1	ZINC000393769035	545087696	/nfs/dbraw/zinc/08/76/96/545087696.db2.gz	WDJUNNVOXJXJCN-UWVGGRQHSA-N	-1	0	256.302	0.836	20	30		CCEDRM
C=C(C)CS(=O)(=O)N1C[C@@H](OC)C[C@H]1CC(=O)[O-]	ZINC000580188078	327725516	/nfs/dbraw/zinc/72/55/16/327725516.db2.gz	MTJJQKJQQWHKBD-UWVGGRQHSA-N	-1	0	277.342	0.456	20	30		CCEDRM
N#CCCCS(=O)(=O)N[C@H](CC(F)F)C(=O)[O-]	ZINC000275242308	328214649	/nfs/dbraw/zinc/21/46/49/328214649.db2.gz	KKCYYZSVNRGFJS-ZCFIWIBFSA-N	-1	0	270.257	0.318	20	30		CCEDRM
COC(=O)NCC(=O)[N-]S(=O)(=O)c1ccc(C)cc1	ZINC000048422987	328308123	/nfs/dbraw/zinc/30/81/23/328308123.db2.gz	VAUVAKQAFNEHEL-UHFFFAOYSA-N	-1	0	286.309	0.996	20	30		CCEDRM
C#CCN(Cc1ccc(F)cc1)C(=O)c1n[nH]c(=O)[n-]1	ZINC000049451700	328363549	/nfs/dbraw/zinc/36/35/49/328363549.db2.gz	UCOPAGMJZGPNPG-UHFFFAOYSA-N	-1	0	274.255	0.925	20	30		CCEDRM
N#CC1(CS(=O)(=O)N[C@@H](CC2CCC2)C(=O)[O-])CC1	ZINC000530472466	326814899	/nfs/dbraw/zinc/81/48/99/326814899.db2.gz	DUBXYLWITZJIHP-JTQLQIEISA-N	-1	0	286.353	0.853	20	30		CCEDRM
C=C[C@H](CCC(=O)[O-])NS(=O)(=O)N1CCCC1	ZINC000556714350	326960062	/nfs/dbraw/zinc/96/00/62/326960062.db2.gz	CYZDWAQNBZSBSQ-SECBINFHSA-N	-1	0	262.331	0.336	20	30		CCEDRM
C=CCOC[C@H](NS(=O)(=O)Cc1ccccc1)C(=O)[O-]	ZINC000568997904	327028014	/nfs/dbraw/zinc/02/80/14/327028014.db2.gz	QGAZUWUIPFOZHR-LBPRGKRZSA-N	-1	0	299.348	0.762	20	30		CCEDRM
C[C@H](CCCC(=O)[O-])NS(=O)(=O)N(C)C[C@H](C)C#N	ZINC000572770063	327603699	/nfs/dbraw/zinc/60/36/99/327603699.db2.gz	GAHLUBLHRAQQDL-NXEZZACHSA-N	-1	0	291.373	0.556	20	30		CCEDRM
C=CCCn1cc(C(=O)NCCCc2n[nH]c(=O)[n-]2)nn1	ZINC000425192435	329636953	/nfs/dbraw/zinc/63/69/53/329636953.db2.gz	IPBPEXKLIMGUKV-UHFFFAOYSA-N	-1	0	291.315	0.041	20	30		CCEDRM
C=CCn1cc(CN=c2nc(CCOC)[n-]s2)nn1	ZINC000425263503	329652518	/nfs/dbraw/zinc/65/25/18/329652518.db2.gz	LLLHXAGXKUMRDX-UHFFFAOYSA-N	-1	0	280.357	0.539	20	30		CCEDRM
CCCC[C@@H](NS(=O)(=O)CC1(C#N)CC1)C(=O)[O-]	ZINC000262499206	330017838	/nfs/dbraw/zinc/01/78/38/330017838.db2.gz	YWAJOIIFZRXLTP-SECBINFHSA-N	-1	0	274.342	0.853	20	30		CCEDRM
C=CCOCCCC(=O)N1CC[C@](F)(C(=O)[O-])C1	ZINC000262881640	330036067	/nfs/dbraw/zinc/03/60/67/330036067.db2.gz	ZBTYCTPWNRFJPS-GFCCVEGCSA-N	-1	0	259.277	0.994	20	30		CCEDRM
C=CCOC[C@H](NC(=O)c1occc1C)C(=O)[O-]	ZINC000262938857	330036568	/nfs/dbraw/zinc/03/65/68/330036568.db2.gz	HPIXDCVIUZQKHM-VIFPVBQESA-N	-1	0	253.254	0.974	20	30		CCEDRM
C=CCOC[C@H](NC(=O)CSCCC)C(=O)[O-]	ZINC000262932503	330037200	/nfs/dbraw/zinc/03/72/00/330037200.db2.gz	HBMQQCQJYZVDGW-VIFPVBQESA-N	-1	0	261.343	0.902	20	30		CCEDRM
C=CCCO[C@H](C)C(=O)N1CCO[C@@H](C(=O)[O-])C1	ZINC000263050987	330040824	/nfs/dbraw/zinc/04/08/24/330040824.db2.gz	WWSHFISZAAQFJH-NXEZZACHSA-N	-1	0	257.286	0.280	20	30		CCEDRM
C#CCOc1ccccc1CNC(=O)NCCC(=O)[O-]	ZINC000263163508	330046725	/nfs/dbraw/zinc/04/67/25/330046725.db2.gz	CGHDYAXIJFOQTG-UHFFFAOYSA-N	-1	0	276.292	0.973	20	30		CCEDRM
C[C@@H]1[C@H](C(=O)[O-])CCCN1S(=O)(=O)CCCC#N	ZINC000263286354	330051666	/nfs/dbraw/zinc/05/16/66/330051666.db2.gz	YBEZDNDRIBHLMC-NXEZZACHSA-N	-1	0	274.342	0.805	20	30		CCEDRM
C#C[C@H](NC(=O)N1CCC[C@H](C(=O)[O-])C1)[C@@H]1CCCO1	ZINC000263323073	330052237	/nfs/dbraw/zinc/05/22/37/330052237.db2.gz	AUZSTCSLNRXGSY-SRVKXCTJSA-N	-1	0	280.324	0.673	20	30		CCEDRM
C#C[C@H]1COCCN1C(=O)NCc1ccc(C(=O)[O-])cc1	ZINC000263337596	330052383	/nfs/dbraw/zinc/05/23/83/330052383.db2.gz	DRURZLPEEXVNSX-ZDUSSCGKSA-N	-1	0	288.303	0.928	20	30		CCEDRM
CC(C)N(CC(=O)[O-])S(=O)(=O)N(C)C[C@H](C)C#N	ZINC000263503676	330058246	/nfs/dbraw/zinc/05/82/46/330058246.db2.gz	USSLGJQRDXLLHD-SECBINFHSA-N	-1	0	277.346	0.118	20	30		CCEDRM
C=C(C)CN(C)C(=O)C(=O)N1C[C@@H](C)[C@H](C(=O)[O-])C1	ZINC000422862284	330158144	/nfs/dbraw/zinc/15/81/44/330158144.db2.gz	PQMLODRGTHXNNI-NXEZZACHSA-N	-1	0	268.313	0.200	20	30		CCEDRM
C=C[C@H]1CCCCN1C(=O)C(=O)N1CC[C@H](C(=O)[O-])C1	ZINC000422909724	330159817	/nfs/dbraw/zinc/15/98/17/330159817.db2.gz	OWJFAGHJHPRIJE-QWRGUYRKSA-N	-1	0	280.324	0.487	20	30		CCEDRM
C=C[C@@H]1CCCCN1C(=O)C(=O)N(C)C[C@@H](C)C(=O)[O-]	ZINC000422902541	330162295	/nfs/dbraw/zinc/16/22/95/330162295.db2.gz	DRIDBSGJWOCGIB-GHMZBOCLSA-N	-1	0	282.340	0.733	20	30		CCEDRM
N#CCCn1ccc([N-]S(=O)(=O)CCOCC2CC2)n1	ZINC000424058433	330218501	/nfs/dbraw/zinc/21/85/01/330218501.db2.gz	DIPLDTCIBXWBKL-UHFFFAOYSA-N	-1	0	298.368	0.965	20	30		CCEDRM
C=CCOC[C@H](NC(=O)NCc1cnc(C)s1)C(=O)[O-]	ZINC000515200188	330472616	/nfs/dbraw/zinc/47/26/16/330472616.db2.gz	HUATUCXYLJYFTR-JTQLQIEISA-N	-1	0	299.352	0.907	20	30		CCEDRM
N#CCN(CC#N)C(=O)c1ccc([N+](=O)[O-])cc1[O-]	ZINC000436967414	330690135	/nfs/dbraw/zinc/69/01/35/330690135.db2.gz	SMIZEJGRTRSALA-UHFFFAOYSA-N	-1	0	260.209	0.790	20	30		CCEDRM
C=C[C@@H]1OCC[C@H]1NS(=O)(=O)[N-]CC(F)(F)F	ZINC000451863450	331045227	/nfs/dbraw/zinc/04/52/27/331045227.db2.gz	QTCAXTKQBLAYJL-RQJHMYQMSA-N	-1	0	274.264	0.316	20	30		CCEDRM
C=CCN=c1[n-]nc(S(=O)(=O)C[C@@H](O)CCC)s1	ZINC000453012503	331083475	/nfs/dbraw/zinc/08/34/75/331083475.db2.gz	DTCVCRVUSPSDEL-QMMMGPOBSA-N	-1	0	291.398	0.493	20	30		CCEDRM
C#C[C@@H]1COCCN1C(=O)N=c1ncn(C(C)(C)C)[n-]1	ZINC000491370893	332198549	/nfs/dbraw/zinc/19/85/49/332198549.db2.gz	BQDOOMHKOCGGNI-SNVBAGLBSA-N	-1	0	277.328	0.321	20	30		CCEDRM
C#C[C@H](CC)NC(=O)c1cc(C)c2c(=O)[n-]c(=O)nc-2[nH]1	ZINC000491428436	332209938	/nfs/dbraw/zinc/20/99/38/332209938.db2.gz	PAECWULWEKJSPA-MRVPVSSYSA-N	-1	0	286.291	0.886	20	30		CCEDRM
C#C[C@H](CCC)NC(=O)CSc1n[nH]c(=O)[n-]1	ZINC000491805531	332359147	/nfs/dbraw/zinc/35/91/47/332359147.db2.gz	OIOCCYYWUHTACV-SSDOTTSWSA-N	-1	0	254.315	0.521	20	30		CCEDRM
C=CCS(=O)(=O)[N-]C(=O)[C@@H]1C[C@@]1(C)Br	ZINC000528974460	333467061	/nfs/dbraw/zinc/46/70/61/333467061.db2.gz	VIMWMSSLOSJSSA-POYBYMJQSA-N	-1	0	282.159	0.792	20	30		CCEDRM
C=CCCn1cc(C(=O)N[C@@](C)(C(=O)[O-])C2CC2)nn1	ZINC000576102220	335153858	/nfs/dbraw/zinc/15/38/58/335153858.db2.gz	BDQYWHNTLQMXFN-CYBMUJFWSA-N	-1	0	278.312	0.837	20	30		CCEDRM
C[C@@H](C#N)CNC(=O)C(=O)N=c1[n-]nc(C(C)(C)C)s1	ZINC000540313724	333724527	/nfs/dbraw/zinc/72/45/27/333724527.db2.gz	VMMINSYFBZBNNU-ZETCQYMHSA-N	-1	0	295.368	0.472	20	30		CCEDRM
C=CCCCS(=O)(=O)NC1(CC(=O)[O-])CCOCC1	ZINC000576155935	335161767	/nfs/dbraw/zinc/16/17/67/335161767.db2.gz	OCPVXXDVXYKWEF-UHFFFAOYSA-N	-1	0	291.369	0.896	20	30		CCEDRM
CN(CCC#N)S(=O)(=O)Nc1ccc(C(=O)[O-])cc1O	ZINC000548521689	334162069	/nfs/dbraw/zinc/16/20/69/334162069.db2.gz	QNRZZEOLBYFPLQ-UHFFFAOYSA-N	-1	0	299.308	0.593	20	30		CCEDRM
C=CCN(CC(=O)[O-])S(=O)(=O)N(C)CC(C)C	ZINC000548563869	334162640	/nfs/dbraw/zinc/16/26/40/334162640.db2.gz	DJWSSPZPGYUXAF-UHFFFAOYSA-N	-1	0	264.347	0.392	20	30		CCEDRM
C=CCCS(=O)(=O)N1CC[C@](COC)(C(=O)[O-])C1	ZINC000564852281	334524263	/nfs/dbraw/zinc/52/42/63/334524263.db2.gz	NUBXOSJHBLGVQY-NSHDSACASA-N	-1	0	277.342	0.315	20	30		CCEDRM
CC#CC[C@@H](NS(=O)(=O)C[C@@H](C)COCC)C(=O)[O-]	ZINC000576520554	335212677	/nfs/dbraw/zinc/21/26/77/335212677.db2.gz	HNMVKKFEMGEPRN-WDEREUQCSA-N	-1	0	291.369	0.445	20	30		CCEDRM
C=C[C@H](CCC(=O)[O-])NS(=O)(=O)CCCF	ZINC000577198425	335321235	/nfs/dbraw/zinc/32/12/35/335321235.db2.gz	DDVVHMZWERLXBF-MRVPVSSYSA-N	-1	0	253.295	0.685	20	30		CCEDRM
N#CCC1(CS(=O)(=O)N[C@@H](CC2CC2)C(=O)[O-])CC1	ZINC000578512461	335643238	/nfs/dbraw/zinc/64/32/38/335643238.db2.gz	VUALLDAMOACPRF-JTQLQIEISA-N	-1	0	286.353	0.853	20	30		CCEDRM
N#Cc1cncc(S(=O)(=O)NCC2(C(=O)[O-])CCC2)c1	ZINC000380678564	336016462	/nfs/dbraw/zinc/01/64/62/336016462.db2.gz	ZKYRCWSCONZKQW-UHFFFAOYSA-N	-1	0	295.320	0.486	20	30		CCEDRM
C=CCSCCNC(=O)N[C@@H](C(=O)[O-])c1ccn(C)n1	ZINC000581922131	336167192	/nfs/dbraw/zinc/16/71/92/336167192.db2.gz	LJPMQFUDJONPEW-SNVBAGLBSA-N	-1	0	298.368	0.764	20	30		CCEDRM
C=CCCO[C@H](C)C(=O)N[C@H](CCOC)C(=O)[O-]	ZINC000262343253	534784125	/nfs/dbraw/zinc/78/41/25/534784125.db2.gz	XKOVSOLLBQRDIW-NXEZZACHSA-N	-1	0	259.302	0.574	20	30		CCEDRM
CC#CCN(C)C(=O)C(=O)N=c1ccc(OC(C)C)n[n-]1	ZINC000344238238	526342883	/nfs/dbraw/zinc/34/28/83/526342883.db2.gz	ZJHVXYSBFDQBEL-UHFFFAOYSA-N	-1	0	290.323	0.106	20	30		CCEDRM
CC#CCNC(=O)N=c1nc2cc(Cl)ccn2[n-]1	ZINC000336003456	526373791	/nfs/dbraw/zinc/37/37/91/526373791.db2.gz	LQKQGDQRFUXFHB-UHFFFAOYSA-N	-1	0	263.688	0.949	20	30		CCEDRM
C=CCN=c1[n-]nc(S[C@H](C)c2nnnn2C)s1	ZINC000344628143	526520382	/nfs/dbraw/zinc/52/03/82/526520382.db2.gz	YZQDJYGAPCRVSH-ZCFIWIBFSA-N	-1	0	283.386	0.935	20	30		CCEDRM
C=CCOC[C@@H](NC(=O)Cc1cscn1)C(=O)[O-]	ZINC000668290700	545171436	/nfs/dbraw/zinc/17/14/36/545171436.db2.gz	VWVPAJLTUCPPNJ-SECBINFHSA-N	-1	0	270.310	0.458	20	30		CCEDRM
CC(C)C[C@@H](C(N)=O)C(=O)N=c1[nH][n-]c(C2CC2)c1C#N	ZINC000412345835	528234846	/nfs/dbraw/zinc/23/48/46/528234846.db2.gz	ZLEPSZHEEIWTHE-VIFPVBQESA-N	-1	0	289.339	0.667	20	30		CCEDRM
C=CCCOCC(=O)Nc1n[nH]c(SCCO)n1	ZINC000677911794	545376593	/nfs/dbraw/zinc/37/65/93/545376593.db2.gz	GPXLFKQVWMNUPZ-UHFFFAOYSA-N	-1	0	272.330	0.420	20	30		CCEDRM
C=CCOc1cc(OC)ccc1C(=O)NCc1nnn[n-]1	ZINC000681045329	545440710	/nfs/dbraw/zinc/44/07/10/545440710.db2.gz	QBIZYHBNAJGKNM-UHFFFAOYSA-N	-1	0	289.295	0.703	20	30		CCEDRM
C=CCC[C@H](NS(=O)(=O)N(C)C1CC1)C(=O)[O-]	ZINC000681578540	545456735	/nfs/dbraw/zinc/45/67/35/545456735.db2.gz	PINOKXRSCKKOSQ-VIFPVBQESA-N	-1	0	262.331	0.334	20	30		CCEDRM
CCN(C[C@H](C)C#N)C(=O)[C@H]1COCCN1C(=O)[O-]	ZINC000739402920	581131143	/nfs/dbraw/zinc/13/11/43/581131143.db2.gz	IITLRUFMLBIUAW-NXEZZACHSA-N	-1	0	269.301	0.373	20	30		CCEDRM
CCN(CCNS(=O)(=O)c1ccc(C#N)nc1)C(=O)[O-]	ZINC000739433355	581136147	/nfs/dbraw/zinc/13/61/47/581136147.db2.gz	CEVLSAGGVNHSDR-UHFFFAOYSA-N	-1	0	298.324	0.231	20	30		CCEDRM
N#CCN(CC(=O)[O-])C(=O)c1ccc(-n2ccnc2)cc1	ZINC000739087449	581175007	/nfs/dbraw/zinc/17/50/07/581175007.db2.gz	LYLWZEWLEFNDMI-UHFFFAOYSA-N	-1	0	284.275	0.923	20	30		CCEDRM
N#CCOc1ccc(CNC(=O)[C@@H]2C[C@H]2C(=O)[O-])cc1	ZINC000739087637	581175373	/nfs/dbraw/zinc/17/53/73/581175373.db2.gz	LJXLSJLWHOYKIC-VXGBXAGGSA-N	-1	0	274.276	0.926	20	30		CCEDRM
C[C@@H](CCNS(=O)(=O)c1ccc(C#N)nc1)NC(=O)[O-]	ZINC000738906227	581178612	/nfs/dbraw/zinc/17/86/12/581178612.db2.gz	ONXLMYRUSGBUTJ-QMMMGPOBSA-N	-1	0	298.324	0.278	20	30		CCEDRM
C=CCOCC(=O)[N-]S(=O)(=O)c1ccccc1COC	ZINC000779301079	581179925	/nfs/dbraw/zinc/17/99/25/581179925.db2.gz	GBTBPFAHWROBFH-UHFFFAOYSA-N	-1	0	299.348	0.841	20	30		CCEDRM
N#Cc1ccsc1C(=O)[N-]N1CCCNC1=O	ZINC000779373115	581182836	/nfs/dbraw/zinc/18/28/36/581182836.db2.gz	PFUBPZZEWSLGAQ-UHFFFAOYSA-N	-1	0	250.283	0.680	20	30		CCEDRM
N#Cc1cccnc1NCCNC(=O)[C@H]1C[C@H]1C(=O)[O-]	ZINC000739142556	581183535	/nfs/dbraw/zinc/18/35/35/581183535.db2.gz	PHLQZKRTNIWSFI-VHSXEESVSA-N	-1	0	274.280	0.202	20	30		CCEDRM
O=C([O-])Cn1cc(/C=C/C(=O)c2cn3cccnc3n2)nn1	ZINC000791427564	581221515	/nfs/dbraw/zinc/22/15/15/581221515.db2.gz	JVMPEGHACOHWHP-NSCUHMNNSA-N	-1	0	298.262	0.302	20	30		CCEDRM
N#CCSCC(=O)[N-]S(=O)(=O)c1ncccc1F	ZINC000791934796	581241075	/nfs/dbraw/zinc/24/10/75/581241075.db2.gz	IPHVIJNGAGAQEY-UHFFFAOYSA-N	-1	0	289.313	0.282	20	30		CCEDRM
COCCO[N-]C(=O)[C@H](O)c1ccc(C#N)cc1	ZINC000780959193	581252529	/nfs/dbraw/zinc/25/25/29/581252529.db2.gz	LQDZRNCQYIAKRX-LLVKDONJSA-N	-1	0	250.254	0.286	20	30		CCEDRM
N#Cc1nc(NC(=O)C2CCC(O)CC2)[n-]c1C#N	ZINC000792635043	581267084	/nfs/dbraw/zinc/26/70/84/581267084.db2.gz	SOTQRKRDDGRAGH-UHFFFAOYSA-N	-1	0	259.269	0.643	20	30		CCEDRM
O=C([O-])Cn1cc(C=NN2Cc3ccccc3C2=O)nn1	ZINC000781596886	581272795	/nfs/dbraw/zinc/27/27/95/581272795.db2.gz	FGQXBFIFMWQXDZ-UHFFFAOYSA-N	-1	0	285.263	0.353	20	30		CCEDRM
C=CCNC(=O)C(C#N)=C([O-])c1cnn(CCC)c1	ZINC000781763573	581277001	/nfs/dbraw/zinc/27/70/01/581277001.db2.gz	ITFBZOAEONNLNX-LLVKDONJSA-N	-1	0	260.297	0.918	20	30		CCEDRM
CC[C@H](NN=Cc1cc(C)c(C(=O)OC)[nH]1)C(=O)[O-]	ZINC000793070713	581283173	/nfs/dbraw/zinc/28/31/73/581283173.db2.gz	CTMBLNMGWSDAHT-VIFPVBQESA-N	-1	0	267.285	0.896	20	30		CCEDRM
CC(=O)CCC(=O)[N-]S(=O)(=O)CC1(C#N)CC1	ZINC000793194643	581287774	/nfs/dbraw/zinc/28/77/74/581287774.db2.gz	STBNIHQWMALCNF-UHFFFAOYSA-N	-1	0	258.299	0.105	20	30		CCEDRM
COc1ccc([N+](=O)[O-])cc1C(=O)N(CC#N)CC(=O)[O-]	ZINC000738069282	581293713	/nfs/dbraw/zinc/29/37/13/581293713.db2.gz	ZTZXNGPPBGDDTN-UHFFFAOYSA-N	-1	0	293.235	0.654	20	30		CCEDRM
C=CCN(CCC#N)S(=O)(=O)c1c[nH]c(C(=O)[O-])c1	ZINC000793325470	581294889	/nfs/dbraw/zinc/29/48/89/581294889.db2.gz	PUVWBWIFSWTGDQ-UHFFFAOYSA-N	-1	0	283.309	0.803	20	30		CCEDRM
N#Cc1c[n-]n2c1nc(COC(=O)[C@H]1CCCO1)cc2=O	ZINC000782372415	581300001	/nfs/dbraw/zinc/30/00/01/581300001.db2.gz	MRCBTPVCXIGHIO-SNVBAGLBSA-N	-1	0	288.263	0.529	20	30		CCEDRM
N#CCCn1ccc(NC(=O)[C@H]2CCCN2C(=O)[O-])n1	ZINC000740307966	581322899	/nfs/dbraw/zinc/32/28/99/581322899.db2.gz	DPOPFPVAVVMOQX-SECBINFHSA-N	-1	0	277.284	0.878	20	30		CCEDRM
COCCN(CC(=O)[O-])C(=O)c1sccc1C#N	ZINC000737778653	581323820	/nfs/dbraw/zinc/32/38/20/581323820.db2.gz	YDOGJSUMKMDWDX-UHFFFAOYSA-N	-1	0	268.294	0.793	20	30		CCEDRM
C#CCN1CCN(C(=O)[C@@H](NC(=O)[O-])[C@H](C)CC)CC1	ZINC000738460734	581333418	/nfs/dbraw/zinc/33/34/18/581333418.db2.gz	NGUCNAFAJKVFPA-NEPJUHHUSA-N	-1	0	281.356	0.446	20	30		CCEDRM
C=C(Br)CNC(=O)NCCCNC(=O)[O-]	ZINC000738470864	581344271	/nfs/dbraw/zinc/34/42/71/581344271.db2.gz	NLLBBLCGSFRNNI-UHFFFAOYSA-N	-1	0	280.122	0.852	20	30		CCEDRM
C=CCCO[C@@H](C)C(=O)N[C@H]1CCN(C(=O)[O-])C1	ZINC000738493815	581361544	/nfs/dbraw/zinc/36/15/44/581361544.db2.gz	RXYYMSVLPIEETN-UWVGGRQHSA-N	-1	0	256.302	0.836	20	30		CCEDRM
C=CCNC(=O)NC(=O)CN1C[C@H](C)N(C(=O)[O-])[C@@H](C)C1	ZINC000738494332	581361702	/nfs/dbraw/zinc/36/17/02/581361702.db2.gz	AMZLAOOXHHZEIH-UWVGGRQHSA-N	-1	0	298.343	0.071	20	30		CCEDRM
CC(C)(C#N)CS(=O)(=O)[N-]C(=O)COC(F)F	ZINC000797226241	581374269	/nfs/dbraw/zinc/37/42/69/581374269.db2.gz	UIYGWFSYHGYXPM-UHFFFAOYSA-N	-1	0	270.257	0.221	20	30		CCEDRM
C[C@H]1C[C@@H](C(=O)[N-]S(=O)(=O)CC2(C#N)CCC2)CO1	ZINC000784551879	581388438	/nfs/dbraw/zinc/38/84/38/581388438.db2.gz	YMZZLAPOHMOQMZ-VHSXEESVSA-N	-1	0	286.353	0.551	20	30		CCEDRM
COCc1cc(C=NNc2nnc(C)c(=O)[n-]2)no1	ZINC000794871936	581390006	/nfs/dbraw/zinc/39/00/06/581390006.db2.gz	QDLANDJXRFKAPG-UHFFFAOYSA-N	-1	0	264.245	0.466	20	30		CCEDRM
N#Cc1ccc(C[C@@H](C#N)C(=O)OCc2n[nH]c(=O)[n-]2)cc1	ZINC000795822586	581423901	/nfs/dbraw/zinc/42/39/01/581423901.db2.gz	DZFCUJGQXPJIRX-NSHDSACASA-N	-1	0	297.274	0.808	20	30		CCEDRM
CC(C)(C#N)CS(=O)(=O)[N-]C(=O)[C@H]1CCCOCC1	ZINC000786479840	581442512	/nfs/dbraw/zinc/44/25/12/581442512.db2.gz	PCWLXNFWIVODKF-JTQLQIEISA-N	-1	0	288.369	0.799	20	30		CCEDRM
CC(C)NC(=O)C(C#N)=C([O-])c1cn(C(C)C)nn1	ZINC000796742800	581449459	/nfs/dbraw/zinc/44/94/59/581449459.db2.gz	CYQAOAYFAWVCQK-VIFPVBQESA-N	-1	0	263.301	0.706	20	30		CCEDRM
N#CC(C(=O)N1CCCC1)=C([O-])c1cnn2c1OCCC2	ZINC000796742684	581449487	/nfs/dbraw/zinc/44/94/87/581449487.db2.gz	WUNBLPWQVZIDEC-SNVBAGLBSA-N	-1	0	288.307	0.610	20	30		CCEDRM
CC(C)NC(=O)C(C#N)=C([O-])c1cn(C(C)C)nn1	ZINC000796742797	581449580	/nfs/dbraw/zinc/44/95/80/581449580.db2.gz	CYQAOAYFAWVCQK-SECBINFHSA-N	-1	0	263.301	0.706	20	30		CCEDRM
CO[C@H](C(=O)[N-]S(=O)(=O)CC(C)(C)C#N)C1CC1	ZINC000796813618	581451254	/nfs/dbraw/zinc/45/12/54/581451254.db2.gz	XSNFLVZOSDOBIJ-VIFPVBQESA-N	-1	0	274.342	0.407	20	30		CCEDRM
C=CCS(=O)(=O)[N-]C(=O)Cc1c(C)nn(CC)c1C	ZINC000796997361	581457656	/nfs/dbraw/zinc/45/76/56/581457656.db2.gz	VJNLOQVEAWCQMU-UHFFFAOYSA-N	-1	0	285.369	0.694	20	30		CCEDRM
C#CCCS(=O)(=O)[N-]C(=O)Cc1c(C)nn(CC)c1C	ZINC000797200741	581461522	/nfs/dbraw/zinc/46/15/22/581461522.db2.gz	UKOQZHJNIOTFFX-UHFFFAOYSA-N	-1	0	297.380	0.532	20	30		CCEDRM
COC(=O)[C@H](C)S(=O)(=O)[N-]C(=O)c1cccc(C#N)c1	ZINC000797307922	581464574	/nfs/dbraw/zinc/46/45/74/581464574.db2.gz	XDZARPZRQDGOQN-QMMMGPOBSA-N	-1	0	296.304	0.179	20	30		CCEDRM
CCOCCO[N-]C(=O)C(=O)NCc1cccc(C#N)c1	ZINC000787341464	581468547	/nfs/dbraw/zinc/46/85/47/581468547.db2.gz	LSYNRTAKQLMDOV-UHFFFAOYSA-N	-1	0	291.307	0.259	20	30		CCEDRM
C[C@@H]1CN(C(=O)C2(C#N)CCOCC2)C[C@H](C)N1C(=O)[O-]	ZINC000739125140	581508305	/nfs/dbraw/zinc/50/83/05/581508305.db2.gz	RPUMEYSABCBTMV-PHIMTYICSA-N	-1	0	295.339	0.906	20	30		CCEDRM
N#Cc1ccsc1NC(=O)COC(=O)[C@H]1C[C@H]1C(=O)[O-]	ZINC000739142596	581511041	/nfs/dbraw/zinc/51/10/41/581511041.db2.gz	QBKUALHBVFAIQT-SFYZADRCSA-N	-1	0	294.288	0.822	20	30		CCEDRM
CCC[C@H](NC(=O)[O-])C(=O)N1CCN(C2CC2)[C@@H](C#N)C1	ZINC000739314385	581534982	/nfs/dbraw/zinc/53/49/82/581534982.db2.gz	PLVGSDKUHJIUIE-RYUDHWBXSA-N	-1	0	294.355	0.621	20	30		CCEDRM
CCN(C[C@H](C)C#N)C(=O)CN1CCN(C(=O)[O-])C[C@@H]1C	ZINC000739402170	581546861	/nfs/dbraw/zinc/54/68/61/581546861.db2.gz	CTZFYHYDYBIFNJ-NEPJUHHUSA-N	-1	0	296.371	0.679	20	30		CCEDRM
CCN(C[C@@H](C)C#N)C(=O)[C@H]1CCN(C(=O)[O-])C1	ZINC000739404876	581547042	/nfs/dbraw/zinc/54/70/42/581547042.db2.gz	SQEHYTZSLJOGDB-UWVGGRQHSA-N	-1	0	253.302	0.994	20	30		CCEDRM
CCN(C[C@H](C)C#N)C(=O)COC(=O)CN(C)C(=O)[O-]	ZINC000739402949	581547544	/nfs/dbraw/zinc/54/75/44/581547544.db2.gz	IVCWEGOEHPVMRO-SECBINFHSA-N	-1	0	285.300	0.148	20	30		CCEDRM
CN(C(=O)[C@H]1CCN(C(=O)[O-])C1)C1(C#N)CCC1	ZINC000739576153	581574072	/nfs/dbraw/zinc/57/40/72/581574072.db2.gz	XCGJUGHNILMMTL-VIFPVBQESA-N	-1	0	251.286	0.891	20	30		CCEDRM
CN(C)c1nccc(N=NC2CN(C(=O)[O-])C2)n1	ZINC000739618850	581581990	/nfs/dbraw/zinc/58/19/90/581581990.db2.gz	ILGLFMPCBIVSES-UHFFFAOYSA-N	-1	0	250.262	0.304	20	30		CCEDRM
CN(CCN1CCN(C(=O)[O-])CC1)C(=O)C1(C#N)CCC1	ZINC000739681561	581592764	/nfs/dbraw/zinc/59/27/64/581592764.db2.gz	HIJRLPAMZWZGDH-UHFFFAOYSA-N	-1	0	294.355	0.434	20	30		CCEDRM
COCCCNC(=O)C(C#N)=C([O-])c1ncoc1C	ZINC000729888195	581618673	/nfs/dbraw/zinc/61/86/73/581618673.db2.gz	FJLHXJQNAKFHOY-SECBINFHSA-N	-1	0	265.269	0.458	20	30		CCEDRM
C=CCOCC(=O)[N-]S(=O)(=O)C[C@@H]1CCCCO1	ZINC000729900153	581619141	/nfs/dbraw/zinc/61/91/41/581619141.db2.gz	PHUWBXPSFGAOCQ-JTQLQIEISA-N	-1	0	277.342	0.204	20	30		CCEDRM
CCCC[C@H](ON=C(C)C)C(=O)NCc1nnn[n-]1	ZINC000768078346	581644110	/nfs/dbraw/zinc/64/41/10/581644110.db2.gz	RIYNTDRULFOQJE-VIFPVBQESA-N	-1	0	268.321	0.787	20	30		CCEDRM
CC#CCS(=O)(=O)[N-]C(=O)c1cccc(C#N)c1	ZINC000788070307	581644434	/nfs/dbraw/zinc/64/44/34/581644434.db2.gz	KEWQQDVBAVRNTE-UHFFFAOYSA-N	-1	0	262.290	0.641	20	30		CCEDRM
CC(=O)N[C@@H](C)C(=O)Nc1ccc(-c2nn[nH]n2)c(C#N)c1	ZINC000735473452	581648855	/nfs/dbraw/zinc/64/88/55/581648855.db2.gz	CMBQNRRPMRGHBM-ZETCQYMHSA-N	-1	0	299.294	0.201	20	30		CCEDRM
C#CCOCCC(=O)N[C@@H](CCC)c1nnn[n-]1	ZINC000755958927	581652434	/nfs/dbraw/zinc/65/24/34/581652434.db2.gz	XDONSFCZWLFIDR-VIFPVBQESA-N	-1	0	251.290	0.197	20	30		CCEDRM
N#C[C@@H](C(=O)NC1CCCC1)C(=O)[C@@H]1CCN(C(=O)[O-])C1	ZINC000740303506	581661928	/nfs/dbraw/zinc/66/19/28/581661928.db2.gz	KCLZBNIBHLLTAI-MWLCHTKSSA-N	-1	0	293.323	0.754	20	30		CCEDRM
N#CC1(C(=O)N[C@@H](CNC(=O)[O-])C2CC2)CCOCC1	ZINC000740309144	581663537	/nfs/dbraw/zinc/66/35/37/581663537.db2.gz	DZIWXCMFOJPPKU-JTQLQIEISA-N	-1	0	281.312	0.469	20	30		CCEDRM
N#Cc1ccc(CNC(=O)COCCNC(=O)[O-])cc1	ZINC000740315063	581664808	/nfs/dbraw/zinc/66/48/08/581664808.db2.gz	KODOMYIEFVYQNU-UHFFFAOYSA-N	-1	0	277.280	0.459	20	30		CCEDRM
N#Cc1cccc(OCC(=O)NCCCNC(=O)[O-])c1	ZINC000740323162	581665697	/nfs/dbraw/zinc/66/56/97/581665697.db2.gz	NCQOTTIMJOLZFE-UHFFFAOYSA-N	-1	0	277.280	0.711	20	30		CCEDRM
N#Cc1ccccc1COC(=O)COCCNC(=O)[O-]	ZINC000740323146	581665850	/nfs/dbraw/zinc/66/58/50/581665850.db2.gz	JCZSTJMNXUGEOI-UHFFFAOYSA-N	-1	0	278.264	0.886	20	30		CCEDRM
O=C([O-])N1CCOC[C@H]1C(=O)NCC#Cc1ccccc1	ZINC000740403537	581676915	/nfs/dbraw/zinc/67/69/15/581676915.db2.gz	CTIIBGMICMOCOG-ZDUSSCGKSA-N	-1	0	288.303	0.533	20	30		CCEDRM
COc1cc(C(=O)[O-])ccc1NN=Cc1cn(C)nn1	ZINC000756899175	581684095	/nfs/dbraw/zinc/68/40/95/581684095.db2.gz	RVSPVPHYAFTBSL-UHFFFAOYSA-N	-1	0	275.268	0.968	20	30		CCEDRM
C#CCN1CCN(C(=O)[C@H](NC(=O)[O-])C(C)C)CC1	ZINC000736080001	581688232	/nfs/dbraw/zinc/68/82/32/581688232.db2.gz	QMXISPFMSUQBEA-LLVKDONJSA-N	-1	0	267.329	0.056	20	30		CCEDRM
O=C([O-])N1CC[C@H](/N=C/c2ccc(O)c(O)c2O)C1	ZINC000740504816	581688564	/nfs/dbraw/zinc/68/85/64/581688564.db2.gz	FCARLKFOBIULLB-XEPABTDDSA-N	-1	0	266.253	0.975	20	30		CCEDRM
C#CCN1CCC[C@H]1C(=O)[N-]O[C@H]1CCCCO1	ZINC000730284460	581692446	/nfs/dbraw/zinc/69/24/46/581692446.db2.gz	PYWHTDATMTZEDA-RYUDHWBXSA-N	-1	0	252.314	0.658	20	30		CCEDRM
C=CCN(CCCC(=O)[O-])[C@H]1CCS(=O)(=O)C1	ZINC000736108603	581698454	/nfs/dbraw/zinc/69/84/54/581698454.db2.gz	IYPMRMLKGJGCKA-JTQLQIEISA-N	-1	0	261.343	0.526	20	30		CCEDRM
COC[C@@H](/N=C\c1cc([N+](=O)[O-])ccc1[O-])C(N)=O	ZINC000759035844	581700097	/nfs/dbraw/zinc/70/00/97/581700097.db2.gz	LTQSTOHFHGUNNE-SRCKSBHPSA-N	-1	0	267.241	0.220	20	30		CCEDRM
COCCN(C)S(=O)(=O)[N-]C(=O)c1ccc(C#N)cc1	ZINC000757315625	581700718	/nfs/dbraw/zinc/70/07/18/581700718.db2.gz	ISEFCVGLTXZVGV-UHFFFAOYSA-N	-1	0	297.336	0.111	20	30		CCEDRM
C#Cc1ccc(C(=O)NCCSCC(=O)[O-])nc1	ZINC000736093448	581700978	/nfs/dbraw/zinc/70/09/78/581700978.db2.gz	UPAKLJTYRSFZKD-UHFFFAOYSA-N	-1	0	264.306	0.611	20	30		CCEDRM
CC(C)[C@](C)(C#N)NC(=O)[C@@H](C)N1CC[C@@H](NC(=O)[O-])C1	ZINC000738620680	581701048	/nfs/dbraw/zinc/70/10/48/581701048.db2.gz	WFGPWWRGCPJSMF-GYSYKLTISA-N	-1	0	296.371	0.771	20	30		CCEDRM
C#Cc1ccc(C(=O)NCCSCC(=O)[O-])cn1	ZINC000736093509	581701497	/nfs/dbraw/zinc/70/14/97/581701497.db2.gz	UZEHQCCRRPBZMD-UHFFFAOYSA-N	-1	0	264.306	0.611	20	30		CCEDRM
N#Cc1nc(NC(=O)[C@@H]2CCc3n[nH]cc3C2)[n-]c1C#N	ZINC000757845247	581711882	/nfs/dbraw/zinc/71/18/82/581711882.db2.gz	UZRBVLIZJVKIFP-SSDOTTSWSA-N	-1	0	281.279	0.620	20	30		CCEDRM
C=C(Cl)COC(=O)Cn1[n-]cc2c(=O)ncnc1-2	ZINC000730656024	581725862	/nfs/dbraw/zinc/72/58/62/581725862.db2.gz	AEXAPPKDTSXYNQ-UHFFFAOYSA-N	-1	0	268.660	0.367	20	30		CCEDRM
CC(C)(C)OC(=O)NCCC(=O)N(CC#N)CC(=O)[O-]	ZINC000736284076	581731238	/nfs/dbraw/zinc/73/12/38/581731238.db2.gz	UYXLDCWRLVFABW-UHFFFAOYSA-N	-1	0	285.300	0.338	20	30		CCEDRM
CC(C)[C@](C)(C#N)NC(=O)CN(C)C(C)(C)C(=O)[O-]	ZINC000736349743	581748282	/nfs/dbraw/zinc/74/82/82/581748282.db2.gz	NYALEZDYZXEWCL-ZDUSSCGKSA-N	-1	0	269.345	0.836	20	30		CCEDRM
COc1nc(C(=O)OCc2ccnc(C#N)c2)cc(=O)[n-]1	ZINC000770521017	581750232	/nfs/dbraw/zinc/75/02/32/581750232.db2.gz	LDKCDBLATCVUKC-UHFFFAOYSA-N	-1	0	286.247	0.814	20	30		CCEDRM
CSc1ccc(NN=C2C(=O)[N-]C(=O)NC2=O)cc1	ZINC000758869311	581772892	/nfs/dbraw/zinc/77/28/92/581772892.db2.gz	PEYUEUNBWNOOMH-UHFFFAOYSA-N	-1	0	278.293	0.542	20	30		CCEDRM
CCOc1cc(C=NNCC(N)=O)cc(Cl)c1O	ZINC000758891841	581773328	/nfs/dbraw/zinc/77/33/28/581773328.db2.gz	CULJEIPCNQRMRB-UHFFFAOYSA-N	-1	0	271.704	0.853	20	30		CCEDRM
O=C([O-])Cn1cc(/C=C/C(=O)c2cc(O)cc(O)c2)nn1	ZINC000759084238	581782521	/nfs/dbraw/zinc/78/25/21/581782521.db2.gz	UIYBAKJNSSDATC-OWOJBTEDSA-N	-1	0	289.247	0.670	20	30		CCEDRM
N#Cc1ccc([O-])c(NC(=O)Cn2cnc([N+](=O)[O-])n2)c1	ZINC000759716597	581817286	/nfs/dbraw/zinc/81/72/86/581817286.db2.gz	AVMGNPUGLDVPCZ-UHFFFAOYSA-N	-1	0	288.223	0.402	20	30		CCEDRM
COCCS(=O)(=O)[N-]C(=O)COc1ccc(C#N)cc1	ZINC000732523775	581833471	/nfs/dbraw/zinc/83/34/71/581833471.db2.gz	WQSPFCNSBALGQM-UHFFFAOYSA-N	-1	0	298.320	0.029	20	30		CCEDRM
CCN(C)S(=O)(=O)[N-]C(=O)c1ccccc1OCC#N	ZINC000744242631	581836322	/nfs/dbraw/zinc/83/63/22/581836322.db2.gz	FGVPDFWONDZLNO-UHFFFAOYSA-N	-1	0	297.336	0.515	20	30		CCEDRM
C=CCS(=O)(=O)[N-]C(=O)c1ccc2c(c1)NC(=O)CO2	ZINC000772724288	581843805	/nfs/dbraw/zinc/84/38/05/581843805.db2.gz	YBZRUFNHPONNQD-UHFFFAOYSA-N	-1	0	296.304	0.263	20	30		CCEDRM
C[C@@H]1Oc2ccccc2O[C@@H]1C(=O)N(CC#N)CC(=O)[O-]	ZINC000736838433	581851286	/nfs/dbraw/zinc/85/12/86/581851286.db2.gz	SFWZJMAXQLJPBH-ZANVPECISA-N	-1	0	290.275	0.652	20	30		CCEDRM
CC[C@H](C)[C@H](NC(=O)COC(=O)C1(C#N)CCC1)C(=O)[O-]	ZINC000736883538	581863530	/nfs/dbraw/zinc/86/35/30/581863530.db2.gz	JEHHTHYLRLBILU-ONGXEEELSA-N	-1	0	296.323	0.839	20	30		CCEDRM
CCCN(CC(=O)[O-])CC(=O)N[C@@](C)(C#N)C1CC1	ZINC000737013197	581885669	/nfs/dbraw/zinc/88/56/69/581885669.db2.gz	BGKZPBKMVQBCCU-ZDUSSCGKSA-N	-1	0	267.329	0.591	20	30		CCEDRM
C=CCS(=O)(=O)[N-]C(=O)c1cccc(OCCOC)c1	ZINC000772721341	581886699	/nfs/dbraw/zinc/88/66/99/581886699.db2.gz	MIVAHELNHIXCSO-UHFFFAOYSA-N	-1	0	299.348	0.957	20	30		CCEDRM
N#Cc1ccc(N2CCC[C@@H]2C(=O)[N-]OCC(N)=O)cc1	ZINC000772940829	581902128	/nfs/dbraw/zinc/90/21/28/581902128.db2.gz	VSISVEDSJPYXSB-GFCCVEGCSA-N	-1	0	288.307	0.060	20	30		CCEDRM
COC(=O)N[C@@H](C)C(=O)Nc1cc(C#N)ccc1[O-]	ZINC000762077271	581930210	/nfs/dbraw/zinc/93/02/10/581930210.db2.gz	QOEZWVYTJGRXQA-ZETCQYMHSA-N	-1	0	263.253	0.947	20	30		CCEDRM
CN(CC(=O)N(CCC#N)Cc1ccccn1)C(=O)[O-]	ZINC000737385231	581950631	/nfs/dbraw/zinc/95/06/31/581950631.db2.gz	PTXBUDXJAAUOJT-UHFFFAOYSA-N	-1	0	276.296	0.934	20	30		CCEDRM
CCOc1nc(C([O-])=C(C#N)C(=O)NC(C)C)co1	ZINC000773979003	581950940	/nfs/dbraw/zinc/95/09/40/581950940.db2.gz	XAISHMPYCMJEQG-QMMMGPOBSA-N	-1	0	265.269	0.920	20	30		CCEDRM
CNC(=O)C(C#N)=C([O-])c1ccn(Cc2ccccc2)n1	ZINC000773982200	581951061	/nfs/dbraw/zinc/95/10/61/581951061.db2.gz	KLYSEQJNBAXPMZ-GFCCVEGCSA-N	-1	0	282.303	1.000	20	30		CCEDRM
CN(CC(=O)NCc1ccc(C#N)cc1)C(C)(C)C(=O)[O-]	ZINC000737393369	581951576	/nfs/dbraw/zinc/95/15/76/581951576.db2.gz	LRSPBVCFIXZUJC-UHFFFAOYSA-N	-1	0	289.335	0.969	20	30		CCEDRM
CNC(=O)C(C#N)=C([O-])c1ccc(OC(C)C)cn1	ZINC000774056501	581955516	/nfs/dbraw/zinc/95/55/16/581955516.db2.gz	SRVUNVSIGZSDQD-JTQLQIEISA-N	-1	0	261.281	0.937	20	30		CCEDRM
CN(CCCC(=O)N[C@]1(C#N)CCSC1)C(=O)[O-]	ZINC000737424596	581956360	/nfs/dbraw/zinc/95/63/60/581956360.db2.gz	ZRMKSSXAIMDMPB-NSHDSACASA-N	-1	0	271.342	0.892	20	30		CCEDRM
COC(=O)NCCC(=O)Nc1cc(C#N)ccc1[O-]	ZINC000748002753	581959487	/nfs/dbraw/zinc/95/94/87/581959487.db2.gz	OEVMSEIRMGMIKI-UHFFFAOYSA-N	-1	0	263.253	0.948	20	30		CCEDRM
C#CCSCCNC(=O)[C@@H]1CCCN(C(=O)[O-])C1	ZINC000737495374	581965317	/nfs/dbraw/zinc/96/53/17/581965317.db2.gz	CHJZVZYXJBJFIM-SNVBAGLBSA-N	-1	0	270.354	0.859	20	30		CCEDRM
CN([C@@H](C(=O)[O-])c1ccc(C#N)cc1)[C@H]1CCN(C)C1=O	ZINC000737515629	581970676	/nfs/dbraw/zinc/97/06/76/581970676.db2.gz	YWSXXDKFXUXZMB-QWHCGFSZSA-N	-1	0	287.319	0.846	20	30		CCEDRM
C[C@H](NS(C)(=O)=O)C(=O)Nc1cc(C#N)ccc1[O-]	ZINC000748409986	581974016	/nfs/dbraw/zinc/97/40/16/581974016.db2.gz	BNQKNDHSVDBESB-ZETCQYMHSA-N	-1	0	283.309	0.140	20	30		CCEDRM
C[C@H]1CC(=O)CC[C@H]1C(=O)[N-]S(=O)(=O)CCCC#N	ZINC000763031689	581978770	/nfs/dbraw/zinc/97/87/70/581978770.db2.gz	YBMBXYKTKDOYOK-GXSJLCMTSA-N	-1	0	286.353	0.741	20	30		CCEDRM
N#Cc1nnc2ccccc2c1-n1cnc(-c2nnn[n-]2)n1	ZINC000737731264	581998159	/nfs/dbraw/zinc/99/81/59/581998159.db2.gz	QELDYSDTPRQSJM-UHFFFAOYSA-N	-1	0	290.250	0.262	20	30		CCEDRM
COc1ccc([C@@H](NCC(=O)NCC#N)C(=O)[O-])cc1	ZINC000737967893	582010466	/nfs/dbraw/zinc/01/04/66/582010466.db2.gz	AFDKCHIBJXUBJA-GFCCVEGCSA-N	-1	0	277.280	0.050	20	30		CCEDRM
CC(=NN[C@H](C)CO)c1ccc([O-])c([N+](=O)[O-])c1	ZINC000749622219	582015834	/nfs/dbraw/zinc/01/58/34/582015834.db2.gz	ROMNDPOEGSCIOB-SSDOTTSWSA-N	-1	0	253.258	0.995	20	30		CCEDRM
C=CCNC(=O)C(C#N)=C([O-])c1cc2n(n1)CCCO2	ZINC000763933888	582021581	/nfs/dbraw/zinc/02/15/81/582021581.db2.gz	XHWWJCNZPJVYCO-SECBINFHSA-N	-1	0	274.280	0.290	20	30		CCEDRM
CC(C)c1nn(C)cc1C(=O)[N-]S(=O)(=O)CCCC#N	ZINC000776118324	582052333	/nfs/dbraw/zinc/05/23/33/582052333.db2.gz	FXBHRWJUGBROAQ-UHFFFAOYSA-N	-1	0	298.368	0.907	20	30		CCEDRM
N#CCCCS(=O)(=O)[N-]C(=O)COC1CCCC1	ZINC000776119489	582052459	/nfs/dbraw/zinc/05/24/59/582052459.db2.gz	PQWKXIKNYIUJIU-UHFFFAOYSA-N	-1	0	274.342	0.695	20	30		CCEDRM
C#CCCN1CCN(C(=O)[C@](C)(CCC)NC(=O)[O-])CC1	ZINC000738457620	582052596	/nfs/dbraw/zinc/05/25/96/582052596.db2.gz	RIDTWOJIJJNSLZ-HNNXBMFYSA-N	-1	0	295.383	0.980	20	30		CCEDRM
COc1ccc(C(=O)[N-]S(=O)(=O)CCCC#N)cn1	ZINC000776121065	582052838	/nfs/dbraw/zinc/05/28/38/582052838.db2.gz	CWGXHCOCBIMHCX-UHFFFAOYSA-N	-1	0	283.309	0.454	20	30		CCEDRM
C#CCNC(=O)c1ccccc1NC(=O)[C@@H](C)NC(=O)[O-]	ZINC000738462850	582053915	/nfs/dbraw/zinc/05/39/15/582053915.db2.gz	CEYXLRMFTSJTMZ-SECBINFHSA-N	-1	0	289.291	0.644	20	30		CCEDRM
Cc1c[nH]cc1C(=O)[N-]S(=O)(=O)CC(C)(C)C#N	ZINC000776139712	582053994	/nfs/dbraw/zinc/05/39/94/582053994.db2.gz	ZVWZEYRCHJBPOB-UHFFFAOYSA-N	-1	0	269.326	0.933	20	30		CCEDRM
COC(=O)C[C@@H](C)C(=O)[N-]S(=O)(=O)CC(C)(C)C#N	ZINC000776140924	582054138	/nfs/dbraw/zinc/05/41/38/582054138.db2.gz	QUKKNWIIGSYTGW-MRVPVSSYSA-N	-1	0	290.341	0.181	20	30		CCEDRM
C=C(C)COc1cccc(NC(=O)C(=O)NCC(=O)[O-])c1	ZINC000738485530	582055345	/nfs/dbraw/zinc/05/53/45/582055345.db2.gz	JOTRFZJAFWOOTR-UHFFFAOYSA-N	-1	0	292.291	0.781	20	30		CCEDRM
C=CCNC(=O)COC(=O)[C@H](NC(=O)[O-])c1ccccc1	ZINC000738494967	582055963	/nfs/dbraw/zinc/05/59/63/582055963.db2.gz	GZOMQBUMVYQXQB-GFCCVEGCSA-N	-1	0	292.291	0.841	20	30		CCEDRM
C=CCOCC(=O)N[C@@H]1CCC[C@@H]1CNC(=O)[O-]	ZINC000738492310	582055965	/nfs/dbraw/zinc/05/59/65/582055965.db2.gz	UDFYOOQXHWHIMS-NXEZZACHSA-N	-1	0	256.302	0.742	20	30		CCEDRM
O=C([O-])Cn1cc(/C=C\C(=O)c2cscn2)nn1	ZINC000776193138	582057180	/nfs/dbraw/zinc/05/71/80/582057180.db2.gz	WKMSZMWNGKLZBN-UPHRSURJSA-N	-1	0	264.266	0.715	20	30		CCEDRM
C=CCn1nnnc1SC[C@@H]1CCN(C(=O)[O-])C1	ZINC000738503777	582057367	/nfs/dbraw/zinc/05/73/67/582057367.db2.gz	VOWDXJBBUZKHEO-MRVPVSSYSA-N	-1	0	269.330	0.951	20	30		CCEDRM
C[C@H](C#N)CN(C)C(=O)CN(C[C@H]1CCCO1)C(=O)[O-]	ZINC000738595902	582064419	/nfs/dbraw/zinc/06/44/19/582064419.db2.gz	BZOSSWHJQNKNFM-GHMZBOCLSA-N	-1	0	283.328	0.763	20	30		CCEDRM
CC(C)(C(=O)NCCCCC#N)N1CCN(C(=O)[O-])CC1	ZINC000738659894	582069395	/nfs/dbraw/zinc/06/93/95/582069395.db2.gz	TYSVIGIAJJCAFF-UHFFFAOYSA-N	-1	0	296.371	0.871	20	30		CCEDRM
CN1CCN(N=Cc2cc([O-])ccc2[N+](=O)[O-])CC1	ZINC000751127607	582070790	/nfs/dbraw/zinc/07/07/90/582070790.db2.gz	PMKSVXKMQDDEHI-UHFFFAOYSA-N	-1	0	264.285	0.882	20	30		CCEDRM
CC(C)(NC(=O)[O-])C(=O)NCC1CCN(CC#N)CC1	ZINC000738754764	582073661	/nfs/dbraw/zinc/07/36/61/582073661.db2.gz	STLQFVCUGMXLQS-UHFFFAOYSA-N	-1	0	282.344	0.384	20	30		CCEDRM
CC(C)N(CCCNC(=O)N1CCO[C@H](C#N)C1)C(=O)[O-]	ZINC000738847480	582082702	/nfs/dbraw/zinc/08/27/02/582082702.db2.gz	CZCJIUWDECKBIW-LLVKDONJSA-N	-1	0	298.343	0.699	20	30		CCEDRM
N#CC1(NC(=O)COC(=O)[C@H]2C[C@@H]2C(=O)[O-])CCCCC1	ZINC000739066909	582100513	/nfs/dbraw/zinc/10/05/13/582100513.db2.gz	UXIXAMJHHREYLF-UWVGGRQHSA-N	-1	0	294.307	0.593	20	30		CCEDRM
N#CCCCS(=O)(=O)NC1(C(=O)[O-])CCCCC1	ZINC000739073492	582101122	/nfs/dbraw/zinc/10/11/22/582101122.db2.gz	SQYKNJFEEIBUMX-UHFFFAOYSA-N	-1	0	274.342	0.997	20	30		CCEDRM
N#CCN(CC(=O)[O-])C(=O)/C=C/c1ccc2c(c1)OCO2	ZINC000739077076	582101446	/nfs/dbraw/zinc/10/14/46/582101446.db2.gz	HEPIAATZEAVGLV-DUXPYHPUSA-N	-1	0	288.259	0.865	20	30		CCEDRM
Cc1cc(C)nc(N=NCc2cn(CC(=O)[O-])nn2)n1	ZINC000768485878	582107249	/nfs/dbraw/zinc/10/72/49/582107249.db2.gz	DVAUNDCVUHXRLW-UHFFFAOYSA-N	-1	0	275.272	0.216	20	30		CCEDRM
O=C([O-])Cn1cc(CN=Nc2ccccc2[N+](=O)[O-])nn1	ZINC000768486451	582107260	/nfs/dbraw/zinc/10/72/60/582107260.db2.gz	KFKXKKXXKZVOHN-UHFFFAOYSA-N	-1	0	290.239	0.717	20	30		CCEDRM
Cc1cc(N=NCc2cn(CC(=O)[O-])nn2)nc(C)n1	ZINC000768483327	582107360	/nfs/dbraw/zinc/10/73/60/582107360.db2.gz	OIVBWHPFPBTZAX-UHFFFAOYSA-N	-1	0	275.272	0.216	20	30		CCEDRM
CCCCCCCS(=O)(=O)NCC(=O)[N-]OCC	ZINC000846003568	614903331	/nfs/dbraw/zinc/90/33/31/614903331.db2.gz	YTHXQGXXFWQIQJ-UHFFFAOYSA-N	-1	0	280.390	0.944	20	30		CCEDRM
COC[C@@](C)(C#N)NC(=O)CCCN(C)C(=O)[O-]	ZINC000828885779	617010852	/nfs/dbraw/zinc/01/08/52/617010852.db2.gz	NQLJTYHEIJGBGZ-LLVKDONJSA-N	-1	0	257.290	0.421	20	30		CCEDRM
CO[C@H](CC(=O)N[C@H]1CCN(O)C1=O)C(F)(F)F	ZINC000820132747	617080995	/nfs/dbraw/zinc/08/09/95/617080995.db2.gz	SJHPWBRXOZJMEE-NTSWFWBYSA-N	-1	0	270.207	0.060	20	30		CCEDRM
C#CCOCCNC(=O)N1CC[C@H](C)[C@H](C(=O)[O-])C1	ZINC000831039471	612986500	/nfs/dbraw/zinc/98/65/00/612986500.db2.gz	YYPAJMARQRZJPS-WDEREUQCSA-N	-1	0	268.313	0.388	20	30		CCEDRM
C#CCN(CC(=O)[O-])S(=O)(=O)c1ccccc1	ZINC000092479850	597417664	/nfs/dbraw/zinc/41/76/64/597417664.db2.gz	CZBNKBSGRCLMIQ-UHFFFAOYSA-N	-1	0	253.279	0.395	20	30		CCEDRM
C[C@@H](OC(=O)[C@@](C)(C#N)CC(=O)[O-])C(=O)NC(C)(C)C	ZINC000820160554	597617314	/nfs/dbraw/zinc/61/73/14/597617314.db2.gz	GQKVLZWCOUQCOS-AMIZOPFISA-N	-1	0	284.312	0.837	20	30		CCEDRM
C[C@@](C#N)(CC(=O)[O-])C(=O)NCc1nccs1	ZINC000819848145	597635110	/nfs/dbraw/zinc/63/51/10/597635110.db2.gz	QNFMVLSDQMKMES-JTQLQIEISA-N	-1	0	253.283	0.764	20	30		CCEDRM
Cc1n[nH]cc1CNC(=O)[C@@](C)(C#N)CC(=O)[O-]	ZINC000821153762	597639064	/nfs/dbraw/zinc/63/90/64/597639064.db2.gz	ZMJCGZOOYBDIPK-LLVKDONJSA-N	-1	0	250.258	0.339	20	30		CCEDRM
C[C@](C#N)(CC(=O)[O-])C(=O)N1CCn2ccnc2C1	ZINC000819821948	597646760	/nfs/dbraw/zinc/64/67/60/597646760.db2.gz	KMZRWYPRSCMBGT-GFCCVEGCSA-N	-1	0	262.269	0.230	20	30		CCEDRM
Cc1cc(C[C@@H](C)NC(=O)[C@@](C)(C#N)CC(=O)[O-])[nH]n1	ZINC000820976334	597658018	/nfs/dbraw/zinc/65/80/18/597658018.db2.gz	BLAOZWZSVMAINW-AMIZOPFISA-N	-1	0	278.312	0.770	20	30		CCEDRM
N#CCC1CCN(C(=O)CSCC(=O)[O-])CC1	ZINC000821320726	597717252	/nfs/dbraw/zinc/71/72/52/597717252.db2.gz	UUAHTWRIRMRGJU-UHFFFAOYSA-N	-1	0	256.327	0.956	20	30		CCEDRM
N#Cc1ccccc1/C=C\C(=O)OCC(=O)NCC(=O)[O-]	ZINC000821340408	597831171	/nfs/dbraw/zinc/83/11/71/597831171.db2.gz	FWRISNLMVZQNIW-WAYWQWQTSA-N	-1	0	288.259	0.315	20	30		CCEDRM
C#CCCN(CCOC)C(=O)c1cc(=O)n(C)[n-]1	ZINC000856390902	612988535	/nfs/dbraw/zinc/98/85/35/612988535.db2.gz	FYOYZVJVIQDCCU-UHFFFAOYSA-N	-1	0	251.286	0.238	20	30		CCEDRM
N#Cc1ccc(CN2CCO[C@H](C(=O)[O-])C2)s1	ZINC000821329917	598125080	/nfs/dbraw/zinc/12/50/80/598125080.db2.gz	OCYVPMSXNUYKGS-JTQLQIEISA-N	-1	0	252.295	0.905	20	30		CCEDRM
C#CCOCCNS(=O)(=O)c1cc(C(=O)[O-])ccc1C	ZINC000833366078	612989553	/nfs/dbraw/zinc/98/95/53/612989553.db2.gz	FEIFKKGGTJYCHS-UHFFFAOYSA-N	-1	0	297.332	0.621	20	30		CCEDRM
C[C@](C#N)(CC(=O)[O-])C(=O)N[C@H]1CCc2nccn2C1	ZINC000819835521	598226010	/nfs/dbraw/zinc/22/60/10/598226010.db2.gz	WBLFJKXBWUHSNQ-TVQRCGJNSA-N	-1	0	276.296	0.319	20	30		CCEDRM
C[C@@H]1CSCCN1C(=O)[C@@](C)(C#N)CC(=O)[O-]	ZINC000820251894	598228153	/nfs/dbraw/zinc/22/81/53/598228153.db2.gz	PTGMPBJMWUBXJB-LDYMZIIASA-N	-1	0	256.327	0.955	20	30		CCEDRM
C#CCO[C@H](C)C(=O)[N-]S(=O)(=O)CC(C)(C)CC	ZINC000870661196	613002101	/nfs/dbraw/zinc/00/21/01/613002101.db2.gz	PMTOUKMVUXVRGZ-SNVBAGLBSA-N	-1	0	275.370	0.907	20	30		CCEDRM
C#CCO[C@H](C)C(=O)N1C[C@@H]2CCC[C@@H]2[C@H]1C(=O)[O-]	ZINC000909675946	613000799	/nfs/dbraw/zinc/00/07/99/613000799.db2.gz	AHGVFRLOWORXPS-RHYQMDGZSA-N	-1	0	265.309	0.736	20	30		CCEDRM
N#Cc1ccc(CNC(=O)N2CCO[C@H](C(=O)[O-])C2)cc1	ZINC000051354858	600034326	/nfs/dbraw/zinc/03/43/26/600034326.db2.gz	XJOGXBIXKVMFEZ-LBPRGKRZSA-N	-1	0	289.291	0.553	20	30		CCEDRM
N#CCCCCNS(=O)(=O)N1CCC(C(=O)[O-])CC1	ZINC000079865486	600107148	/nfs/dbraw/zinc/10/71/48/600107148.db2.gz	KAQXOADUGPTYII-UHFFFAOYSA-N	-1	0	289.357	0.311	20	30		CCEDRM
N#CCN(CC(=O)[O-])C(=O)c1cc2c([nH]c1=O)CCCC2	ZINC000739079335	600400493	/nfs/dbraw/zinc/40/04/93/600400493.db2.gz	WDFLGWLICDEOEB-UHFFFAOYSA-N	-1	0	289.291	0.716	20	30		CCEDRM
C=CCNC(=O)NC(=O)CSC[C@H](C)C(=O)[O-]	ZINC000086109120	600602609	/nfs/dbraw/zinc/60/26/09/600602609.db2.gz	DSEBOOAVAQJJJI-ZETCQYMHSA-N	-1	0	260.315	0.452	20	30		CCEDRM
C#CCCNc1ccc(S(N)(=O)=O)cc1C(=O)[O-]	ZINC000070246767	600637456	/nfs/dbraw/zinc/63/74/56/600637456.db2.gz	FNMLJPTVPGFWCR-UHFFFAOYSA-N	-1	0	268.294	0.467	20	30		CCEDRM
N#CCN(CC(=O)[O-])C(=O)c1cc(-c2ccccn2)no1	ZINC000833065708	600963809	/nfs/dbraw/zinc/96/38/09/600963809.db2.gz	GIBLGRHMQZFYJS-UHFFFAOYSA-N	-1	0	286.247	0.787	20	30		CCEDRM
N#CCN(CC(=O)[O-])Cc1cnn(-c2ccccc2)n1	ZINC000833067320	601002690	/nfs/dbraw/zinc/00/26/90/601002690.db2.gz	SOPZUVJQZYQHAK-UHFFFAOYSA-N	-1	0	271.280	0.677	20	30		CCEDRM
N#CCN(CC(=O)[O-])C[C@@H]1CN(c2ccccc2)C(=O)O1	ZINC000833067614	601003892	/nfs/dbraw/zinc/00/38/92/601003892.db2.gz	WOTNJELIXOTRFA-GFCCVEGCSA-N	-1	0	289.291	0.922	20	30		CCEDRM
Cc1ccc(CCC(=O)N(CC#N)CC(=O)[O-])o1	ZINC000832931043	601059500	/nfs/dbraw/zinc/05/95/00/601059500.db2.gz	XLASSMUUJRMQAW-UHFFFAOYSA-N	-1	0	250.254	0.957	20	30		CCEDRM
C[C@@H](OC(=O)C(C)(C)C#N)C(=O)N1CCC(C(=O)[O-])CC1	ZINC000827802142	601111518	/nfs/dbraw/zinc/11/15/18/601111518.db2.gz	DLFJYIDMYMIJRO-SECBINFHSA-N	-1	0	296.323	0.791	20	30		CCEDRM
C#CCCCNS(=O)(=O)c1cc(C(=O)[O-])c(C)o1	ZINC000825605921	601223155	/nfs/dbraw/zinc/22/31/55/601223155.db2.gz	ZPSJMXKQSOHPMN-UHFFFAOYSA-N	-1	0	271.294	0.978	20	30		CCEDRM
C#CCNC(=O)CNc1cccc(F)c1C(=O)[O-]	ZINC000825618362	601249335	/nfs/dbraw/zinc/24/93/35/601249335.db2.gz	BCBPGZFQGBKDTQ-UHFFFAOYSA-N	-1	0	250.229	0.685	20	30		CCEDRM
N#Cc1cc(NC(=O)Cn2cc(C(=O)[O-])nn2)ccc1F	ZINC000090717028	601281647	/nfs/dbraw/zinc/28/16/47/601281647.db2.gz	YMXSQYILVUTJEN-UHFFFAOYSA-N	-1	0	289.226	0.626	20	30		CCEDRM
N#CCNC(=O)CNc1ccc(F)c(C(=O)[O-])c1	ZINC000833066748	601390669	/nfs/dbraw/zinc/39/06/69/601390669.db2.gz	GWIMGSMHTFHQMH-UHFFFAOYSA-N	-1	0	251.217	0.576	20	30		CCEDRM
C=C(C)CN(CC)C(=O)CN1CCO[C@H](CC(=O)[O-])C1	ZINC000091296276	601459298	/nfs/dbraw/zinc/45/92/98/601459298.db2.gz	NHICHXLZAXLTBQ-GFCCVEGCSA-N	-1	0	284.356	0.587	20	30		CCEDRM
N#CC1(C(=O)N[C@@H](CC(=O)[O-])C2CC2)CCOCC1	ZINC000833064762	601540289	/nfs/dbraw/zinc/54/02/89/601540289.db2.gz	NHEQDZKYVKKYNM-JTQLQIEISA-N	-1	0	266.297	0.676	20	30		CCEDRM
N#CC1(C(=O)N2CCO[C@H](CC(=O)[O-])C2)CCC1	ZINC000833064320	601666003	/nfs/dbraw/zinc/66/60/03/601666003.db2.gz	HMQLDKYTIPCBMX-SECBINFHSA-N	-1	0	252.270	0.382	20	30		CCEDRM
N#Cc1ccc(C(=O)N[C@@]2(C(=O)[O-])CCOC2)s1	ZINC000833070607	601722269	/nfs/dbraw/zinc/72/22/69/601722269.db2.gz	OAYVATCNOQAIBL-NSHDSACASA-N	-1	0	266.278	0.593	20	30		CCEDRM
C[C@H](CS(=O)(=O)OCC(F)(F)F)C(=O)[O-]	ZINC000827569785	601770621	/nfs/dbraw/zinc/77/06/21/601770621.db2.gz	ALNVHCLKGBLNER-SCSAIBSYSA-N	-1	0	250.194	0.616	20	30		CCEDRM
N#CCNS(=O)(=O)c1ccc(CC(=O)[O-])cc1	ZINC000040605453	602153096	/nfs/dbraw/zinc/15/30/96/602153096.db2.gz	ZBCDHVAPSYIBGG-UHFFFAOYSA-N	-1	0	254.267	0.116	20	30		CCEDRM
C[C@H](CC(=O)[O-])C(=O)O[C@H](C(N)=O)c1ccc(C#N)cc1	ZINC000827325089	602279487	/nfs/dbraw/zinc/27/94/87/602279487.db2.gz	OYAIKFRAQOJWEW-PELKAZGASA-N	-1	0	290.275	0.739	20	30		CCEDRM
O=C([O-])[C@@H]1CCN(C(=O)C#Cc2ccc3c(c2)OCO3)C1	ZINC000819244325	602341643	/nfs/dbraw/zinc/34/16/43/602341643.db2.gz	AJNHGTIHEFYHFA-LLVKDONJSA-N	-1	0	287.271	0.700	20	30		CCEDRM
N#CCN(CC(=O)[O-])C(=O)CC1CCSCC1	ZINC000833066214	602368333	/nfs/dbraw/zinc/36/83/33/602368333.db2.gz	QJNJKXPZBQPBHG-UHFFFAOYSA-N	-1	0	256.327	0.956	20	30		CCEDRM
N#Cc1cnn(C(=O)CN(C[C@H]2CCCO2)C(=O)[O-])c1N	ZINC000831161607	603521205	/nfs/dbraw/zinc/52/12/05/603521205.db2.gz	GMRBPORIRDPNII-SECBINFHSA-N	-1	0	293.283	0.136	20	30		CCEDRM
Cn1cc(C#N)cc1C(=O)N1CC[C@@H](CNC(=O)[O-])C1	ZINC000830984540	603532770	/nfs/dbraw/zinc/53/27/70/603532770.db2.gz	GZZZBFMCNNGEJA-VIFPVBQESA-N	-1	0	276.296	0.626	20	30		CCEDRM
NC(=O)c1ccc(N=NC2CCC(NC(=O)[O-])CC2)nn1	ZINC000831233873	603604134	/nfs/dbraw/zinc/60/41/34/603604134.db2.gz	JXRHDCQNBLTGHW-UHFFFAOYSA-N	-1	0	292.299	0.554	20	30		CCEDRM
C[C@H](C#N)CN(C)C(=O)[C@]1(F)CCN(C(=O)[O-])C1	ZINC000823646641	603841131	/nfs/dbraw/zinc/84/11/31/603841131.db2.gz	DHUCJCWJGUQACS-KCJUWKMLSA-N	-1	0	257.265	0.696	20	30		CCEDRM
N#Cc1c[nH]c(C(=O)NC[C@H]2CCCN2C(=O)[O-])c1	ZINC000831114697	603888721	/nfs/dbraw/zinc/88/87/21/603888721.db2.gz	RFYOMTWJURDROS-SECBINFHSA-N	-1	0	262.269	0.759	20	30		CCEDRM
C#CCNC(=O)c1c(F)cc(-c2nn[nH]n2)cc1F	ZINC000819701258	612951915	/nfs/dbraw/zinc/95/19/15/612951915.db2.gz	ANYGKENCJIIGFN-UHFFFAOYSA-N	-1	0	263.207	0.508	20	30		CCEDRM
C#CCNC(=O)c1ccc(Cl)c(-c2nn[nH]n2)c1	ZINC000823850985	612951926	/nfs/dbraw/zinc/95/19/26/612951926.db2.gz	XBZRIZBWQIYKRF-UHFFFAOYSA-N	-1	0	261.672	0.883	20	30		CCEDRM
C[C@@H](NC(=O)C(=O)Nc1cccc(OCC#N)c1)C(=O)[O-]	ZINC000818021999	617182857	/nfs/dbraw/zinc/18/28/57/617182857.db2.gz	BEANKZWTLQAXRY-MRVPVSSYSA-N	-1	0	291.263	0.117	20	30		CCEDRM
N#CCCNC(=O)COC(=O)C[C@H]1CCCN1C(=O)[O-]	ZINC000831097900	603943703	/nfs/dbraw/zinc/94/37/03/603943703.db2.gz	YHXVVANUWFXFOD-SECBINFHSA-N	-1	0	283.284	0.092	20	30		CCEDRM
N#C[C@H]1CCC[C@H]1NC(=O)[C@@H]1CCCN1C(=O)[O-]	ZINC000831076589	604029853	/nfs/dbraw/zinc/02/98/53/604029853.db2.gz	PKGCKRSEUTXIEP-BBBLOLIVSA-N	-1	0	251.286	0.937	20	30		CCEDRM
N#C[C@H]1CN(C(=O)[O-])CCN1C(=O)CCCn1cccn1	ZINC000831083367	604066473	/nfs/dbraw/zinc/06/64/73/604066473.db2.gz	ZXTUDFKOVDLLKJ-NSHDSACASA-N	-1	0	291.311	0.378	20	30		CCEDRM
CSCCCC(=O)N1CCN(C(=O)[O-])C[C@H]1C#N	ZINC000829738276	604071291	/nfs/dbraw/zinc/07/12/91/604071291.db2.gz	XPMXFZANUJDFRT-SECBINFHSA-N	-1	0	271.342	0.844	20	30		CCEDRM
C[C@@H](CN(C)C(=O)[O-])C(=O)N(CCC#N)CCC#N	ZINC000824822833	604114379	/nfs/dbraw/zinc/11/43/79/604114379.db2.gz	CBGUTZQNRWPBMM-JTQLQIEISA-N	-1	0	266.301	0.888	20	30		CCEDRM
C[C@@H]1CN(C(=O)Nc2nn(C)cc2C#N)CCN1C(=O)[O-]	ZINC000826020850	604154128	/nfs/dbraw/zinc/15/41/28/604154128.db2.gz	OOZIZVIKMOZEKJ-MRVPVSSYSA-N	-1	0	292.299	0.508	20	30		CCEDRM
C[C@@H](CN(C)C(=O)[O-])C(=O)OCC(=O)N(C)C(C)(C)C#N	ZINC000824888121	604249413	/nfs/dbraw/zinc/24/94/13/604249413.db2.gz	HDOHVYDLFPRHGM-VIFPVBQESA-N	-1	0	299.327	0.536	20	30		CCEDRM
N#Cc1ncn(CC(=O)NC[C@H](C(=O)[O-])c2ccccc2)n1	ZINC000833078076	604328113	/nfs/dbraw/zinc/32/81/13/604328113.db2.gz	BLKCJPJPPCFFHS-NSHDSACASA-N	-1	0	299.290	0.134	20	30		CCEDRM
N#Cc1cc(C(=O)[O-])cn(C[C@H]2CCCOC2)c1=O	ZINC000833068836	604402544	/nfs/dbraw/zinc/40/25/44/604402544.db2.gz	MXPHHYBIWJFBGV-SECBINFHSA-N	-1	0	262.265	0.845	20	30		CCEDRM
N#CCN1CCC(OC(=O)[C@@H]2C[C@@H]2C(=O)[O-])CC1	ZINC000833067795	604733875	/nfs/dbraw/zinc/73/38/75/604733875.db2.gz	ZZJLEZPHXZABCS-VHSXEESVSA-N	-1	0	252.270	0.238	20	30		CCEDRM
C[C@H](C#N)CNC(=O)C[C@@H]1CN(C(=O)[O-])CCO1	ZINC000823648870	604874273	/nfs/dbraw/zinc/87/42/73/604874273.db2.gz	YGRUMNCYNNZQON-RKDXNWHRSA-N	-1	0	255.274	0.031	20	30		CCEDRM
C#CCNC(=S)NCc1ccc(-c2nn[nH]n2)cc1	ZINC000823850493	612953734	/nfs/dbraw/zinc/95/37/34/612953734.db2.gz	PGAYKJMSCKOKHI-UHFFFAOYSA-N	-1	0	272.337	0.464	20	30		CCEDRM
C=CCOc1ccc(C(=O)N2C[C@H](O)C[C@H]2C(=O)[O-])cc1	ZINC000037449335	605283270	/nfs/dbraw/zinc/28/32/70/605283270.db2.gz	VQIRVLDTKUADBH-YPMHNXCESA-N	-1	0	291.303	0.911	20	30		CCEDRM
C[C@@H](CC#N)NC(=O)CO[C@@H]1CCCN(C(=O)[O-])C1	ZINC000824545315	605283310	/nfs/dbraw/zinc/28/33/10/605283310.db2.gz	WCGRVAWHSSOKDV-VHSXEESVSA-N	-1	0	269.301	0.564	20	30		CCEDRM
N#CCCCNC(=O)N1CCC[C@@H](NC(=O)[O-])C1	ZINC000833967234	605423019	/nfs/dbraw/zinc/42/30/19/605423019.db2.gz	CVMDQDYCNDQHTP-SECBINFHSA-N	-1	0	254.290	0.732	20	30		CCEDRM
N#Cc1ccc(NCCCN2CCN(C(=O)[O-])CC2)nn1	ZINC000833973686	605499946	/nfs/dbraw/zinc/49/99/46/605499946.db2.gz	BNMGNVLUKQSUOJ-UHFFFAOYSA-N	-1	0	290.327	0.446	20	30		CCEDRM
CC1(C#N)CCN(S(=O)(=O)CCCC(=O)[O-])CC1	ZINC000833551618	605610923	/nfs/dbraw/zinc/61/09/23/605610923.db2.gz	RGTAGBUCETZHPK-UHFFFAOYSA-N	-1	0	274.342	0.807	20	30		CCEDRM
N#C[C@H]1CN(C(=O)C[C@@H]2CSCCN2C(=O)[O-])CCO1	ZINC000831075716	605644884	/nfs/dbraw/zinc/64/48/84/605644884.db2.gz	CGVNUINSTGVPAI-ZJUUUORDSA-N	-1	0	299.352	0.223	20	30		CCEDRM
N#Cc1cc(COC(=O)[C@@H]2C[C@@H](O)CN2C(=O)[O-])ccn1	ZINC000833970963	605652961	/nfs/dbraw/zinc/65/29/61/605652961.db2.gz	ZGFYWXZVAJRSRM-MNOVXSKESA-N	-1	0	291.263	0.110	20	30		CCEDRM
N#Cc1ccc(C(=O)NC[C@@H](NC(=O)[O-])C2CC2)nc1	ZINC000833973164	605869640	/nfs/dbraw/zinc/86/96/40/605869640.db2.gz	LLGCDJUYJRHPIE-LLVKDONJSA-N	-1	0	274.280	0.729	20	30		CCEDRM
N#Cc1ccc(C(=O)NC[C@H](NC(=O)[O-])C2CC2)[nH]1	ZINC000833973051	605912635	/nfs/dbraw/zinc/91/26/35/605912635.db2.gz	JHZOOJWVPXFGFR-JTQLQIEISA-N	-1	0	262.269	0.662	20	30		CCEDRM
N#CCN(CC#N)C(=O)[C@@H]1CC12CCN(C(=O)[O-])CC2	ZINC000833967706	605961032	/nfs/dbraw/zinc/96/10/32/605961032.db2.gz	SXKKYDBPXAIWSH-JTQLQIEISA-N	-1	0	276.296	0.642	20	30		CCEDRM
N#C[C@@]1(NC(=O)[C@@H](CC(F)F)NC(=O)[O-])CCSC1	ZINC000833964922	606029901	/nfs/dbraw/zinc/02/99/01/606029901.db2.gz	UPLCHXVQMIOJFU-LDWIPMOCSA-N	-1	0	293.295	0.793	20	30		CCEDRM
CCN(CCC#N)C(=O)c1cnc(NC(=O)[O-])cn1	ZINC000833857756	606053993	/nfs/dbraw/zinc/05/39/93/606053993.db2.gz	PZLDXUJRHZAWRG-UHFFFAOYSA-N	-1	0	263.257	0.942	20	30		CCEDRM
N#C[C@@H]1COCCN1C(=O)[C@H](CC(F)F)NC(=O)[O-]	ZINC000833965621	606059293	/nfs/dbraw/zinc/05/92/93/606059293.db2.gz	CHFMXZWNISXWAU-RQJHMYQMSA-N	-1	0	277.227	0.029	20	30		CCEDRM
N#Cc1cc(C(=O)N2CCC(NC(=O)[O-])CC2)c[nH]1	ZINC000833970533	606089423	/nfs/dbraw/zinc/08/94/23/606089423.db2.gz	PVISVGQEEAGBLD-UHFFFAOYSA-N	-1	0	262.269	0.759	20	30		CCEDRM
C#CCCS(=O)(=O)[N-]C(=O)[C@@H]1Cc2ccc(F)cc21	ZINC000810784612	613053235	/nfs/dbraw/zinc/05/32/35/613053235.db2.gz	LOVXHEUVVPDOIO-GFCCVEGCSA-N	-1	0	281.308	0.935	20	30		CCEDRM
C#CCCS(=O)(=O)[N-]C(=O)c1ccc(NC(C)=O)cn1	ZINC000810779373	613053636	/nfs/dbraw/zinc/05/36/36/613053636.db2.gz	JSKOCIFSSJIKHC-UHFFFAOYSA-N	-1	0	295.320	0.123	20	30		CCEDRM
Cc1nc(-c2nnn[n-]2)c(N=NCc2ccn(C)c2)o1	ZINC000822422855	606624011	/nfs/dbraw/zinc/62/40/11/606624011.db2.gz	DVACPEZVOVXBKY-UHFFFAOYSA-N	-1	0	272.272	0.948	20	30		CCEDRM
N#Cc1nc(NC(=O)[C@@H]2CCSC2)[n-]c1-c1nn[nH]n1	ZINC000822815542	606816342	/nfs/dbraw/zinc/81/63/42/606816342.db2.gz	SSCLMUOKCMMZCY-RXMQYKEDSA-N	-1	0	290.312	0.153	20	30		CCEDRM
C#CC[C@H](NC(=O)[C@@H]1CCC(=O)[C@H](C)C1)C(=O)[O-]	ZINC000910050845	613068774	/nfs/dbraw/zinc/06/87/74/613068774.db2.gz	OTLFTCITSYRTGV-BBBLOLIVSA-N	-1	0	251.282	0.584	20	30		CCEDRM
C#CC[C@H]([N-]S(=O)(=O)C[C@@H](OC)C(C)C)C(=O)OC	ZINC000827683490	613071099	/nfs/dbraw/zinc/07/10/99/613071099.db2.gz	INJJISUKIZZLEO-WDEREUQCSA-N	-1	0	291.369	0.142	20	30		CCEDRM
C#CCN(CC#CC)C(=O)C[C@H]1CSCCN1C(=O)[O-]	ZINC000823450828	613099742	/nfs/dbraw/zinc/09/97/42/613099742.db2.gz	JUYCCYNYCXVYLA-LBPRGKRZSA-N	-1	0	294.376	0.957	20	30		CCEDRM
Cc1c(Cl)cnc(-n2cnc(-c3nnn[n-]3)n2)c1C#N	ZINC000826237429	609523996	/nfs/dbraw/zinc/52/39/96/609523996.db2.gz	ZFSXLRLUILCCMN-UHFFFAOYSA-N	-1	0	287.674	0.676	20	30		CCEDRM
C#CCC(C)(C)C(=O)[N-]S(=O)(=O)Cc1ccon1	ZINC000810605479	612965965	/nfs/dbraw/zinc/96/59/65/612965965.db2.gz	NBUYDWKUMCRMNQ-UHFFFAOYSA-N	-1	0	270.310	0.670	20	30		CCEDRM
C=CCC1(S(=O)(=O)[N-]C(=O)[C@@H](C)OCC)CC1	ZINC000810982792	613461171	/nfs/dbraw/zinc/46/11/71/613461171.db2.gz	XSGFRJFJBDSTCO-SECBINFHSA-N	-1	0	261.343	0.966	20	30		CCEDRM
C#CCC1(NC(=O)NCC(=O)[N-]OCC)CCC1	ZINC000923081716	612968976	/nfs/dbraw/zinc/96/89/76/612968976.db2.gz	NGFGHUIVYHOHBJ-UHFFFAOYSA-N	-1	0	253.302	0.299	20	30		CCEDRM
CC(C)OCCO[N-]C(=O)[C@@H](C)n1cnc(C#N)n1	ZINC000812807751	614020625	/nfs/dbraw/zinc/02/06/25/614020625.db2.gz	IYMKSLZZHWVBLL-SECBINFHSA-N	-1	0	267.289	0.184	20	30		CCEDRM
CC(C)(C)SCCn1c(=O)[n-]cc(C#N)c1=O	ZINC000842616138	614021025	/nfs/dbraw/zinc/02/10/25/614021025.db2.gz	PLDNDASIURSYBQ-UHFFFAOYSA-N	-1	0	253.327	0.940	20	30		CCEDRM
CC(C)C[C@@H](NC(=O)CN(C)[C@H](C)CC#N)C(=O)[O-]	ZINC000826788142	614194212	/nfs/dbraw/zinc/19/42/12/614194212.db2.gz	VMVIBVDITGAYRF-GHMZBOCLSA-N	-1	0	269.345	0.836	20	30		CCEDRM
CC(C)N(C)S(=O)(=O)N1CCC(C#CC(=O)[O-])CC1	ZINC000844814614	614268198	/nfs/dbraw/zinc/26/81/98/614268198.db2.gz	CYBHWJSAJUVBKN-UHFFFAOYSA-N	-1	0	288.369	0.371	20	30		CCEDRM
COc1ccc(OCC(=O)[N-]S(C)(=O)=O)cc1	ZINC000042280510	617276309	/nfs/dbraw/zinc/27/63/09/617276309.db2.gz	PSFDORHAMMBDSJ-UHFFFAOYSA-N	-1	0	259.283	0.990	20	30		CCEDRM
COc1cccc(O)c1C=Nn1c(=O)c(C)n[n-]c1=S	ZINC000812489448	617304974	/nfs/dbraw/zinc/30/49/74/617304974.db2.gz	REBZABQHIZZPNJ-UHFFFAOYSA-N	-1	0	292.320	0.832	20	30		CCEDRM
C#CC1CCN(C(=O)CCCn2c(=O)[n-][nH]c2=O)CC1	ZINC000911549080	612963042	/nfs/dbraw/zinc/96/30/42/612963042.db2.gz	WEQGFJIOQDHSQS-UHFFFAOYSA-N	-1	0	278.312	0.341	20	30		CCEDRM
C#CCC(C)(C)C(=O)[N-]S(=O)(=O)c1cncc(C#N)c1	ZINC000813981711	612966048	/nfs/dbraw/zinc/96/60/48/612966048.db2.gz	HYKGXICJWTWKDJ-UHFFFAOYSA-N	-1	0	291.332	0.808	20	30		CCEDRM
C#CCC1(NS(=O)(=O)N=[S@](C)(=O)CC)CCC1	ZINC000922045968	612971017	/nfs/dbraw/zinc/97/10/17/612971017.db2.gz	LFYOMVRHAJEXHI-MRXNPFEDSA-N	-1	0	278.399	0.885	20	30		CCEDRM
C#CCCCCNC(=O)N[C@H]1CCN(C(=O)[O-])C1	ZINC000823441199	612978073	/nfs/dbraw/zinc/97/80/73/612978073.db2.gz	XIWHQVAVPJFGLT-JTQLQIEISA-N	-1	0	253.302	0.841	20	30		CCEDRM
C#CCCCNC(=O)N1CCC[C@H](c2n[nH]c(=O)[n-]2)C1	ZINC000920742877	612981429	/nfs/dbraw/zinc/98/14/29/612981429.db2.gz	AOXGGDAWBPWUFY-JTQLQIEISA-N	-1	0	277.328	0.813	20	30		CCEDRM
C#CCOCCNC(=O)[C@@H](C)S[C@@H](C)C(=O)[O-]	ZINC000872857333	612988385	/nfs/dbraw/zinc/98/83/85/612988385.db2.gz	PHCKHQSDMQQYIE-BDAKNGLRSA-N	-1	0	259.327	0.347	20	30		CCEDRM
C#CCO[N-]C(=O)CN1C(=O)N(C)C2(CCCCC2)C1=O	ZINC000812782536	612992161	/nfs/dbraw/zinc/99/21/61/612992161.db2.gz	WUMMNCMLPCXOJW-UHFFFAOYSA-N	-1	0	293.323	0.264	20	30		CCEDRM
C#CCO[N-]C(=O)Cn1cnc2c(C)cccc2c1=O	ZINC000812783228	612992315	/nfs/dbraw/zinc/99/23/15/612992315.db2.gz	DYJBPOZXZBTHTR-UHFFFAOYSA-N	-1	0	271.276	0.386	20	30		CCEDRM
C#CCO[N-]C(=O)CN1C(=S)N=NC1c1cccs1	ZINC000812786196	612992530	/nfs/dbraw/zinc/99/25/30/612992530.db2.gz	CEJRIWGCZKXLBN-UHFFFAOYSA-N	-1	0	294.361	0.976	20	30		CCEDRM
C#CCO[N-]C(=O)[C@H](O)[C@H](C)c1ccccc1F	ZINC000869254525	612993064	/nfs/dbraw/zinc/99/30/64/612993064.db2.gz	QNOCSHFBPVIVKJ-BXKDBHETSA-N	-1	0	251.257	0.971	20	30		CCEDRM
C#CCO[C@@H](C)C(=O)NCC1(CC(=O)[O-])CCOCC1	ZINC000910120134	612995866	/nfs/dbraw/zinc/99/58/66/612995866.db2.gz	MMMOMLYVZUXWCW-NSHDSACASA-N	-1	0	283.324	0.412	20	30		CCEDRM
C#CCO[C@H](C)C(=O)N1CCC(c2n[nH]c(=O)[n-]2)CC1	ZINC000843873988	612999448	/nfs/dbraw/zinc/99/94/48/612999448.db2.gz	XTKZVFRCYPKQLV-SECBINFHSA-N	-1	0	278.312	0.255	20	30		CCEDRM
C#CCO[C@H](C)C(=O)N1CCC[C@](COC)(C(=O)[O-])C1	ZINC000909714879	612999692	/nfs/dbraw/zinc/99/96/92/612999692.db2.gz	YLHCBBAMIKRDFW-RISCZKNCSA-N	-1	0	283.324	0.365	20	30		CCEDRM
C#CCO[C@H](C)C(=O)N[C@@H](C)C1(C(=O)[O-])CCOCC1	ZINC000907916764	613002462	/nfs/dbraw/zinc/00/24/62/613002462.db2.gz	BXNHQWMAAKKAFA-MNOVXSKESA-N	-1	0	283.324	0.411	20	30		CCEDRM
C#CCO[C@H](C)C(=O)N[C@H](CC(F)(F)F)C(=O)[O-]	ZINC000909670552	613003061	/nfs/dbraw/zinc/00/30/61/613003061.db2.gz	MMORWFJJFNGUNP-RNFRBKRXSA-N	-1	0	267.203	0.547	20	30		CCEDRM
C#CCO[C@H](C)C(=O)N[C@H](Cc1ccc(F)cc1)C(=O)[O-]	ZINC000910907457	613003380	/nfs/dbraw/zinc/00/33/80/613003380.db2.gz	PCQACOGEMMTMDL-ZWNOBZJWSA-N	-1	0	293.294	0.976	20	30		CCEDRM
C#CCO[C@H](C)C(=O)Nc1ccn(C(C)(C)C(=O)[O-])n1	ZINC000909966494	613003596	/nfs/dbraw/zinc/00/35/96/613003596.db2.gz	SBMVWIUWKKIKCB-SECBINFHSA-N	-1	0	279.296	0.680	20	30		CCEDRM
C#CCOc1ccc(NC(=O)N[C@@H](COC)C(=O)[O-])cc1	ZINC000797744732	613007115	/nfs/dbraw/zinc/00/71/15/613007115.db2.gz	WVIMQARKQXRICD-LBPRGKRZSA-N	-1	0	292.291	0.920	20	30		CCEDRM
C#CC[C@@H](CO)NC(=O)C12CCC(C(=O)[O-])(CC1)CC2	ZINC000911395464	613023349	/nfs/dbraw/zinc/02/33/49/613023349.db2.gz	QESXGIOCDFJREP-QGLTVNCISA-N	-1	0	279.336	0.912	20	30		CCEDRM
C#CC[C@@H](NC(=O)CCc1ccc(OC)nc1)C(=O)[O-]	ZINC000923090032	613039712	/nfs/dbraw/zinc/03/97/12/613039712.db2.gz	OXPIRANHUXFTMK-LLVKDONJSA-N	-1	0	276.292	0.616	20	30		CCEDRM
C#CC[C@@H](NC(=O)CCc1cnn(C)c1C)C(=O)[O-]	ZINC000910051392	613039732	/nfs/dbraw/zinc/03/97/32/613039732.db2.gz	UIBXHNKEMAUVJZ-LLVKDONJSA-N	-1	0	263.297	0.254	20	30		CCEDRM
C#CC[C@@H](NC(=O)CCc1ccc(O)cc1)C(=O)[O-]	ZINC000910051857	613039798	/nfs/dbraw/zinc/03/97/98/613039798.db2.gz	IKRMGFIBMBFEHL-GFCCVEGCSA-N	-1	0	261.277	0.918	20	30		CCEDRM
C#CC[C@@H](NC(=O)C[C@@H]1CSCCS1)C(=O)[O-]	ZINC000910046457	613040023	/nfs/dbraw/zinc/04/00/23/613040023.db2.gz	PYTNCMQTAKVPFO-RKDXNWHRSA-N	-1	0	273.379	0.818	20	30		CCEDRM
C#CC[C@@H](NC(=O)[C@@]1(C)COc2ccccc2O1)C(=O)[O-]	ZINC000910048255	613040973	/nfs/dbraw/zinc/04/09/73/613040973.db2.gz	HMILHZXYQNZXLX-MEBBXXQBSA-N	-1	0	289.287	0.809	20	30		CCEDRM
C#CC[C@@H](NC(=O)c1n[nH]c2c1C[C@H](C)CC2)C(=O)[O-]	ZINC000910048353	613042425	/nfs/dbraw/zinc/04/24/25/613042425.db2.gz	JHUJNCSGIGMJGO-LDYMZIIASA-N	-1	0	275.308	0.741	20	30		CCEDRM
C#CCCNC(=O)N1CC[C@H](NC(=O)[O-])C[C@@H]1C	ZINC000823444761	613047075	/nfs/dbraw/zinc/04/70/75/613047075.db2.gz	PZDLDNYYEHGGLV-UWVGGRQHSA-N	-1	0	253.302	0.840	20	30		CCEDRM
C#CCCNC(=O)N1CCN(C(=O)[O-])[C@H](C)[C@H]1C	ZINC000833786752	613047186	/nfs/dbraw/zinc/04/71/86/613047186.db2.gz	AAEVQIDGSYNQEQ-NXEZZACHSA-N	-1	0	253.302	0.792	20	30		CCEDRM
C#CCCNC(=O)c1cnn([C@@H]2CCCN(C(=O)[O-])C2)c1	ZINC000833787363	613048048	/nfs/dbraw/zinc/04/80/48/613048048.db2.gz	MNYNHNZYFMNSQB-GFCCVEGCSA-N	-1	0	290.323	0.951	20	30		CCEDRM
C#CCCNC(=O)c1cnn([C@H]2CCCN(C(=O)[O-])C2)c1	ZINC000833787364	613048152	/nfs/dbraw/zinc/04/81/52/613048152.db2.gz	MNYNHNZYFMNSQB-LBPRGKRZSA-N	-1	0	290.323	0.951	20	30		CCEDRM
C#CCCS(=O)(=O)[N-]C(=O)[C@H](C)c1c(C)nn(C)c1C	ZINC000810782949	613053394	/nfs/dbraw/zinc/05/33/94/613053394.db2.gz	YDOPOKUTZGSLMZ-SECBINFHSA-N	-1	0	297.380	0.610	20	30		CCEDRM
C#CCCS(=O)(=O)[N-]C(=O)c1cccc(CC)n1	ZINC000835372001	613053531	/nfs/dbraw/zinc/05/35/31/613053531.db2.gz	OHICIAVDFKUFDI-UHFFFAOYSA-N	-1	0	266.322	0.727	20	30		CCEDRM
C#CCCS(=O)(=O)NCc1nc(C2CC2)no1	ZINC000808283757	613054592	/nfs/dbraw/zinc/05/45/92/613054592.db2.gz	WXRDBCLOFWYLJA-UHFFFAOYSA-N	-1	0	255.299	0.390	20	30		CCEDRM
C#CCN(C(=O)NC1CN(C(=O)[O-])C1)C1CCCC1	ZINC000823451436	613066742	/nfs/dbraw/zinc/06/67/42/613066742.db2.gz	VAMYMFUGKBLVSW-UHFFFAOYSA-N	-1	0	265.313	0.936	20	30		CCEDRM
C#CC[C@H](NC(=O)C1(OC(C)C)CCC1)C(=O)[O-]	ZINC000910048590	613067376	/nfs/dbraw/zinc/06/73/76/613067376.db2.gz	NEKUIMUCBMXVJS-JTQLQIEISA-N	-1	0	253.298	0.927	20	30		CCEDRM
C#CC[C@H](NC(=O)COCC1CCCC1)C(=O)[O-]	ZINC000910051421	613067777	/nfs/dbraw/zinc/06/77/77/613067777.db2.gz	UXGCOTDDWDNXDQ-NSHDSACASA-N	-1	0	253.298	0.786	20	30		CCEDRM
C#CC[C@H](NC(=O)COCc1ccc(OC)cc1)C(=O)[O-]	ZINC000910052746	613067833	/nfs/dbraw/zinc/06/78/33/613067833.db2.gz	HUWFUTYHQZUCNZ-ZDUSSCGKSA-N	-1	0	291.303	0.805	20	30		CCEDRM
C#CC[C@H](NC(=O)[C@@H]1C[C@H](C)Cc2c[nH]nc21)C(=O)[O-]	ZINC000910050906	613068932	/nfs/dbraw/zinc/06/89/32/613068932.db2.gz	PTWRBCLDAMCUKH-IEBDPFPHSA-N	-1	0	275.308	0.668	20	30		CCEDRM
C#CC[C@H](NC(=O)[C@]12CCO[C@@H]1CCCC2)C(=O)[O-]	ZINC000910052339	613069167	/nfs/dbraw/zinc/06/91/67/613069167.db2.gz	UPNVVKYHINITEA-MISXGVKJSA-N	-1	0	265.309	0.928	20	30		CCEDRM
C#CC[C@H](NC(=O)[C@H]1CCC(=O)[C@@H](C)C1)C(=O)[O-]	ZINC000910050846	613069495	/nfs/dbraw/zinc/06/94/95/613069495.db2.gz	OTLFTCITSYRTGV-GUBZILKMSA-N	-1	0	251.282	0.584	20	30		CCEDRM
C#CCn1ccc(CN(CC)C(=O)[C@@H](CC)C(=O)[O-])n1	ZINC000911721463	613078577	/nfs/dbraw/zinc/07/85/77/613078577.db2.gz	RDXNHDUVXIAKON-GFCCVEGCSA-N	-1	0	277.324	0.976	20	30		CCEDRM
C#C[C@@H](C)N(C)S(=O)(=O)c1cc(C(=O)[O-])oc1C	ZINC000871951306	613079776	/nfs/dbraw/zinc/07/97/76/613079776.db2.gz	PNASOXBIUVQRDS-SSDOTTSWSA-N	-1	0	271.294	0.928	20	30		CCEDRM
C#CCN(CC#C)C(=O)c1ccc(CNC(=O)[O-])o1	ZINC000823451329	613098895	/nfs/dbraw/zinc/09/88/95/613098895.db2.gz	SVUXLEMXLJRUQT-UHFFFAOYSA-N	-1	0	260.249	0.756	20	30		CCEDRM
C#C[C@@H](NC(=O)c1ccc(C(=O)[O-])nc1)C1CCOCC1	ZINC000911789046	613098940	/nfs/dbraw/zinc/09/89/40/613098940.db2.gz	FEWHUYLQVQDJBY-GFCCVEGCSA-N	-1	0	288.303	0.938	20	30		CCEDRM
C#C[C@H](NC(=O)c1cc(S(N)(=O)=O)ccc1[O-])C(C)C	ZINC000847118400	613148678	/nfs/dbraw/zinc/14/86/78/613148678.db2.gz	VVHGPLKHQKTVOP-NSHDSACASA-N	-1	0	296.348	0.427	20	30		CCEDRM
C#C[C@H](NS(=O)(=O)c1ccccc1[O-])[C@@H]1CCCO1	ZINC000849388657	613152232	/nfs/dbraw/zinc/15/22/32/613152232.db2.gz	WDKJQAFNEIIJRG-JQWIXIFHSA-N	-1	0	281.333	0.851	20	30		CCEDRM
C#C[C@H]1COCCN1C(=O)NC[C@@H](C(=O)[O-])C1CCC1	ZINC000854234659	613160364	/nfs/dbraw/zinc/16/03/64/613160364.db2.gz	HEVNNDKNIXNSMU-NWDGAFQWSA-N	-1	0	280.324	0.531	20	30		CCEDRM
C#C[C@H]1COCCN1C(=O)NC[C@H](C(=O)[O-])C(C)C	ZINC000848592759	613160886	/nfs/dbraw/zinc/16/08/86/613160886.db2.gz	ZXSLCWIEPLWDRF-QWRGUYRKSA-N	-1	0	268.313	0.387	20	30		CCEDRM
C#C[C@](C)(CC)NC(=O)c1cc(S(N)(=O)=O)ccc1[O-]	ZINC000854694309	613164064	/nfs/dbraw/zinc/16/40/64/613164064.db2.gz	MJRXGPHIDRTJSC-CYBMUJFWSA-N	-1	0	296.348	0.571	20	30		CCEDRM
C#CCN1CCC[C@@H](N=c2nn[n-]n2Cc2ccccc2)C1	ZINC000895200636	613165229	/nfs/dbraw/zinc/16/52/29/613165229.db2.gz	HWJHTMZVFWIKCM-OAHLLOKOSA-N	-1	0	296.378	0.653	20	30		CCEDRM
C#Cc1ccc(C(=O)N2CC[C@H](OC)C[C@@H]2C(=O)[O-])nc1	ZINC000833368173	613174437	/nfs/dbraw/zinc/17/44/37/613174437.db2.gz	IIMRYLVGCMILAO-WCQYABFASA-N	-1	0	288.303	0.767	20	30		CCEDRM
C#Cc1ccc(C(=O)N2CC[C@H](OC)C[C@H]2C(=O)[O-])nc1	ZINC000833368171	613174465	/nfs/dbraw/zinc/17/44/65/613174465.db2.gz	IIMRYLVGCMILAO-AAEUAGOBSA-N	-1	0	288.303	0.767	20	30		CCEDRM
C#Cc1cccc(NC(=O)CNC(=O)NCCC(=O)[O-])c1	ZINC000817675234	613203748	/nfs/dbraw/zinc/20/37/48/613203748.db2.gz	FDQUCFKSQDRWDM-UHFFFAOYSA-N	-1	0	289.291	0.380	20	30		CCEDRM
C#Cc1cncc(C(=O)N2CCSC[C@H](C(=O)[O-])C2)c1	ZINC000910149508	613214347	/nfs/dbraw/zinc/21/43/47/613214347.db2.gz	KIDKKAGVLYRQMA-GFCCVEGCSA-N	-1	0	290.344	0.953	20	30		CCEDRM
C#Cc1cncc(C(=O)N[C@@H](C[C@H]2CCCO2)C(=O)[O-])c1	ZINC000910592966	613219452	/nfs/dbraw/zinc/21/94/52/613219452.db2.gz	QAIKAZKXARHJOA-OLZOCXBDSA-N	-1	0	288.303	0.815	20	30		CCEDRM
C#Cc1cncc(C(=O)N[C@@]2(CC(=O)[O-])CCCOC2)c1	ZINC000909695135	613220748	/nfs/dbraw/zinc/22/07/48/613220748.db2.gz	XIUVUZHRBPVQDS-OAHLLOKOSA-N	-1	0	288.303	0.817	20	30		CCEDRM
COc1ccnc(C(=O)[N-]S(=O)(=O)CC2(C#N)CC2)c1	ZINC000842754061	617324383	/nfs/dbraw/zinc/32/43/83/617324383.db2.gz	LKNJSTSYQBIGOT-UHFFFAOYSA-N	-1	0	295.320	0.454	20	30		CCEDRM
C#Cc1cncc(C(=O)N[C@](C)(COC)C(=O)[O-])c1	ZINC000909364222	613222701	/nfs/dbraw/zinc/22/27/01/613222701.db2.gz	DEVNMXWRYGTFEH-CYBMUJFWSA-N	-1	0	262.265	0.282	20	30		CCEDRM
C=C(Br)CNC(=O)c1cc(-c2nn[nH]n2)c[nH]1	ZINC000819718702	613238749	/nfs/dbraw/zinc/23/87/49/613238749.db2.gz	NXTBDBRYXNASPI-UHFFFAOYSA-N	-1	0	297.116	0.833	20	30		CCEDRM
C=C(C)CN(CC)C(=O)CN1CC[C@@](F)(C(=O)[O-])C1	ZINC000825642294	613292937	/nfs/dbraw/zinc/29/29/37/613292937.db2.gz	MXWWEXVKUITTEM-ZDUSSCGKSA-N	-1	0	272.320	0.910	20	30		CCEDRM
C=C(C)COCCNC(=O)N[C@@H]1CCN(C(=O)[O-])C1	ZINC000823480420	613351995	/nfs/dbraw/zinc/35/19/95/613351995.db2.gz	BMRYWEKBPFSSEQ-SNVBAGLBSA-N	-1	0	271.317	0.631	20	30		CCEDRM
C=C(C)CO[N-]C(=O)CN1CCN(c2ccccn2)CC1	ZINC000846538527	613352511	/nfs/dbraw/zinc/35/25/11/613352511.db2.gz	JLXOKDSCMYKWKV-UHFFFAOYSA-N	-1	0	290.367	0.828	20	30		CCEDRM
C=C(C)CO[N-]C(=O)COCc1nnc(C)s1	ZINC000846534382	613352532	/nfs/dbraw/zinc/35/25/32/613352532.db2.gz	ZEGOPRMMTDVWBX-UHFFFAOYSA-N	-1	0	257.315	0.987	20	30		CCEDRM
C=C(C)CO[N-]C(=O)[C@@](C)(O)Cn1ccccc1=O	ZINC000846535198	613353790	/nfs/dbraw/zinc/35/37/90/613353790.db2.gz	SKGLWTANHJQXSG-ZDUSSCGKSA-N	-1	0	266.297	0.223	20	30		CCEDRM
C=C(C)CO[N-]C(=O)[C@H]1Nc2ccccc2S(=O)(=O)N1	ZINC000846538993	613353957	/nfs/dbraw/zinc/35/39/57/613353957.db2.gz	NVFUILBBPKPMJN-NSHDSACASA-N	-1	0	297.336	0.340	20	30		CCEDRM
C=C(C)CS(=O)(=O)N[C@@H]1C[C@H]2C[C@@]2(C(=O)[O-])C1	ZINC000871997801	613354273	/nfs/dbraw/zinc/35/42/73/613354273.db2.gz	DXCLYLSHTVORHZ-IQJOONFLSA-N	-1	0	259.327	0.735	20	30		CCEDRM
C=C(C)C[C@@H](C)C(=O)[N-]S(=O)(=O)CC(=O)OCC	ZINC000838846388	613354364	/nfs/dbraw/zinc/35/43/64/613354364.db2.gz	JMZHYVQYCXLSGN-SECBINFHSA-N	-1	0	277.342	0.598	20	30		CCEDRM
C=C(C)C[C@@H](NC(=O)NCCCn1ccnc1)C(=O)[O-]	ZINC000908736729	613355832	/nfs/dbraw/zinc/35/58/32/613355832.db2.gz	CKPJSYWNWIQQNF-LLVKDONJSA-N	-1	0	280.328	0.992	20	30		CCEDRM
C=C(C)C[C@@H](NC(=O)[C@@H]1CCc2nccn2C1)C(=O)[O-]	ZINC000910286004	613356047	/nfs/dbraw/zinc/35/60/47/613356047.db2.gz	DUULVOUEDYRFIU-GHMZBOCLSA-N	-1	0	277.324	0.981	20	30		CCEDRM
C=C(C)C[C@@H](NC(C)=O)C(=O)[N-]S(=O)(=O)CCC	ZINC000850854259	613356397	/nfs/dbraw/zinc/35/63/97/613356397.db2.gz	ZLVKDRDHZPXFBL-SNVBAGLBSA-N	-1	0	276.358	0.313	20	30		CCEDRM
C=C(C)[C@H]1OCC[C@@H]1CNC(=O)N=c1nn[n-]n1CC	ZINC000888326665	613362757	/nfs/dbraw/zinc/36/27/57/613362757.db2.gz	CWYCXYXFLDOVCP-NXEZZACHSA-N	-1	0	280.332	0.218	20	30		CCEDRM
C=C(Cl)CNC(=O)C(=O)Nc1cc(C(=O)[O-])n(C)c1	ZINC000833370992	613383512	/nfs/dbraw/zinc/38/35/12/613383512.db2.gz	UEGJTRZLNYLREN-UHFFFAOYSA-N	-1	0	285.687	0.531	20	30		CCEDRM
C=C(Cl)C[C@@H](NC(=O)[C@@H]1COCCO1)C(=O)[O-]	ZINC000864185617	613388567	/nfs/dbraw/zinc/38/85/67/613388567.db2.gz	XWJOHVWIFKXQCK-SFYZADRCSA-N	-1	0	263.677	0.114	20	30		CCEDRM
C=C(Cl)C[C@@H](NC(=O)[C@@H](C)C(=O)[O-])C(=O)OCC	ZINC000902267784	613388589	/nfs/dbraw/zinc/38/85/89/613388589.db2.gz	JISNONZMWFOBQZ-HTQZYQBOSA-N	-1	0	277.704	0.898	20	30		CCEDRM
C=C(Cl)C[C@@H](NS(=O)(=O)N1CCC[C@@H]1C)C(=O)[O-]	ZINC000863421467	613388791	/nfs/dbraw/zinc/38/87/91/613388791.db2.gz	YJKIJAMOUDVFHI-DTWKUNHWSA-N	-1	0	296.776	0.901	20	30		CCEDRM
C=CC[C@@H](CO)CNC(=O)c1ccc(-c2nn[nH]n2)nc1	ZINC000823888623	613402362	/nfs/dbraw/zinc/40/23/62/613402362.db2.gz	RXNIEUVXQCVSKJ-SECBINFHSA-N	-1	0	288.311	0.176	20	30		CCEDRM
C=CCN1C(=O)N=NC1S[C@@H]1CN(C(=O)[O-])CCC1=O	ZINC000823521409	613424380	/nfs/dbraw/zinc/42/43/80/613424380.db2.gz	CCKAPYFFQUTFOW-MRVPVSSYSA-N	-1	0	298.324	0.583	20	30		CCEDRM
C=CCn1cc(C(=O)N[C@@H](CC(=O)[O-])C(F)(F)F)nn1	ZINC000911168723	613430175	/nfs/dbraw/zinc/43/01/75/613430175.db2.gz	ZDQGBRWMTBDIEJ-ZETCQYMHSA-N	-1	0	292.217	0.600	20	30		CCEDRM
C=C[C@@H](C)NC(=O)c1cc(=O)n(-c2nc(C)cc(C)n2)[n-]1	ZINC000901020127	613442667	/nfs/dbraw/zinc/44/26/67/613442667.db2.gz	SBAORNBWVATRRM-MRVPVSSYSA-N	-1	0	287.323	0.877	20	30		CCEDRM
C=C[C@@H](C)O[N-]C(=O)C(=O)Nc1cc(CC)nn1C	ZINC000846155726	613443259	/nfs/dbraw/zinc/44/32/59/613443259.db2.gz	VQXAHTUKSBOYCZ-MRVPVSSYSA-N	-1	0	266.301	0.543	20	30		CCEDRM
C=C[C@@H](C)O[N-]C(=O)COc1c(C)occc1=O	ZINC000824034104	613443611	/nfs/dbraw/zinc/44/36/11/613443611.db2.gz	XLTHHKHZBVKDRO-MRVPVSSYSA-N	-1	0	253.254	0.949	20	30		CCEDRM
C=CC(C)(C)C(=O)[N-]S(=O)(=O)CC1(C#N)CC1	ZINC000835294750	613444076	/nfs/dbraw/zinc/44/40/76/613444076.db2.gz	NMTLPFKOOLGMNJ-UHFFFAOYSA-N	-1	0	256.327	0.948	20	30		CCEDRM
C=CC(C)(C)C(=O)N[C@H](C)C(=O)N[C@@H](C)C(=O)[O-]	ZINC000910749191	613444430	/nfs/dbraw/zinc/44/44/30/613444430.db2.gz	WIIRGWPKTHYHEM-SFYZADRCSA-N	-1	0	256.302	0.293	20	30		CCEDRM
C=CC(C)(C)CCNC(=O)NCC(=O)[N-]OCC	ZINC000858589484	613447370	/nfs/dbraw/zinc/44/73/70/613447370.db2.gz	MSXGOCCRZSUFSJ-UHFFFAOYSA-N	-1	0	257.334	0.956	20	30		CCEDRM
C=C[C@@H](CC(=O)N[C@@H](CO)C(=O)[O-])c1ccccc1	ZINC000911256604	613447587	/nfs/dbraw/zinc/44/75/87/613447587.db2.gz	BARKDQDECJAQIH-JQWIXIFHSA-N	-1	0	263.293	0.908	20	30		CCEDRM
C=CC1(S(=O)(=O)[N-]C(=O)[C@@H](N)CCC(C)C)CC1	ZINC000901059636	613450807	/nfs/dbraw/zinc/45/08/07/613450807.db2.gz	RWOKFJLOIFZLIH-JTQLQIEISA-N	-1	0	274.386	0.915	20	30		CCEDRM
C=CC1(S(=O)(=O)[N-]C(=O)[C@@H]2CCc3n[nH]cc3C2)CC1	ZINC000870837056	613451269	/nfs/dbraw/zinc/45/12/69/613451269.db2.gz	WSLSPOUVWWIPQW-SECBINFHSA-N	-1	0	295.364	0.679	20	30		CCEDRM
C=CC1(S(=O)(=O)[N-]C(=O)[C@H]2CCCCO2)CC1	ZINC000870834385	613451678	/nfs/dbraw/zinc/45/16/78/613451678.db2.gz	XXSUIABNUHQENK-SECBINFHSA-N	-1	0	259.327	0.720	20	30		CCEDRM
C=CC1(S(=O)(=O)[N-]C(=O)[C@H]2C[C@@H]2OCC)CC1	ZINC000870832923	613452014	/nfs/dbraw/zinc/45/20/14/613452014.db2.gz	HXBRUAHNUZXXHH-IUCAKERBSA-N	-1	0	259.327	0.576	20	30		CCEDRM
C=CC1(S(=O)(=O)[N-]C(=O)c2cc3n(n2)CCC3)CC1	ZINC000870837381	613452017	/nfs/dbraw/zinc/45/20/17/613452017.db2.gz	JTRMAVAXZMWSRT-UHFFFAOYSA-N	-1	0	281.337	0.608	20	30		CCEDRM
C=CC1CCN(C(=O)NC2CN(C(=O)[O-])C2)CC1	ZINC000823491618	613452212	/nfs/dbraw/zinc/45/22/12/613452212.db2.gz	YRAGPCUOYYWMPI-UHFFFAOYSA-N	-1	0	253.302	0.956	20	30		CCEDRM
C=CC1(S(=O)(=O)[N-]C(=O)c2nccs2)CC1	ZINC000870836945	613452253	/nfs/dbraw/zinc/45/22/53/613452253.db2.gz	SDHWWYPMEUFFPU-UHFFFAOYSA-N	-1	0	258.324	0.921	20	30		CCEDRM
C=CC1(S(=O)(=O)[N-]C(=O)c2nccnc2SC)CC1	ZINC000893305664	613452265	/nfs/dbraw/zinc/45/22/65/613452265.db2.gz	VBWLKJSDJLDEGA-UHFFFAOYSA-N	-1	0	299.377	0.977	20	30		CCEDRM
C=CC1(S(=O)(=O)[N-]C(=O)c2cnn(CCOC)c2)CC1	ZINC000870839659	613452288	/nfs/dbraw/zinc/45/22/88/613452288.db2.gz	QUEJYRUNJZHAEE-UHFFFAOYSA-N	-1	0	299.352	0.308	20	30		CCEDRM
C=C[C@@H]1OCCC[C@H]1NC(=O)N[C@H]1C[C@H](C(=O)[O-])C1	ZINC000874402723	613460601	/nfs/dbraw/zinc/46/06/01/613460601.db2.gz	CCVMEZSFKSPXLW-DBIOUOCHSA-N	-1	0	268.313	0.882	20	30		CCEDRM
C=CCC1(S(=O)(=O)[N-]C(=O)C2CN(C(C)=O)C2)CC1	ZINC000810981145	613460693	/nfs/dbraw/zinc/46/06/93/613460693.db2.gz	MYCPILJVOYDTCQ-UHFFFAOYSA-N	-1	0	286.353	0.019	20	30		CCEDRM
C=CCC1(S(=O)(=O)[N-]C(=O)c2cnn(CC)n2)CC1	ZINC000816089015	613461454	/nfs/dbraw/zinc/46/14/54/613461454.db2.gz	DEFPYKDLFDNWOL-UHFFFAOYSA-N	-1	0	284.341	0.466	20	30		CCEDRM
C=CCCCN(CC)C(=O)c1cnc([O-])n(C)c1=O	ZINC000890813793	613466914	/nfs/dbraw/zinc/46/69/14/613466914.db2.gz	NPSVACBOVBZDRD-UHFFFAOYSA-N	-1	0	265.313	0.914	20	30		CCEDRM
C=C[C@@H]1OCC[C@H]1CNC(=O)N(CC(=O)[O-])C1CC1	ZINC000909238571	613468998	/nfs/dbraw/zinc/46/89/98/613468998.db2.gz	QDTNVVGJEHWZQR-ONGXEEELSA-N	-1	0	268.313	0.836	20	30		CCEDRM
C=CCCC[C@@H](NC(=O)c1ccn(C)c(=O)c1)C(=O)[O-]	ZINC000910914275	613471513	/nfs/dbraw/zinc/47/15/13/613471513.db2.gz	FMEKDUJSXAGWIP-LLVKDONJSA-N	-1	0	278.308	0.925	20	30		CCEDRM
C=CCCC[C@@H](NS(=O)(=O)N(C)CCOC)C(=O)[O-]	ZINC000903059540	613472035	/nfs/dbraw/zinc/47/20/35/613472035.db2.gz	QEGWLUJBLXCVFJ-SNVBAGLBSA-N	-1	0	294.373	0.209	20	30		CCEDRM
C=CCCC[C@H](NC(=O)[C@@H]1COCCN1CC)C(=O)[O-]	ZINC000910923207	613473636	/nfs/dbraw/zinc/47/36/36/613473636.db2.gz	QPRWNUGIUBJBDF-RYUDHWBXSA-N	-1	0	284.356	0.633	20	30		CCEDRM
C=CCCC[C@H](NC(=O)[C@@H]1CC(=O)N(C2CC2)C1)C(=O)[O-]	ZINC000910914844	613473988	/nfs/dbraw/zinc/47/39/88/613473988.db2.gz	LJNPMJRKJRGMFQ-PWSUYJOCSA-N	-1	0	294.351	0.923	20	30		CCEDRM
C=CCCC[C@H](NC(=O)[C@H](COC)OC)C(=O)[O-]	ZINC000910922495	613474391	/nfs/dbraw/zinc/47/43/91/613474391.db2.gz	KJQOCHPKUMNAEL-UWVGGRQHSA-N	-1	0	259.302	0.574	20	30		CCEDRM
C=CCCN(C)C(=O)C(=O)NC[C@@H](CC)C(=O)[O-]	ZINC000927960071	613476589	/nfs/dbraw/zinc/47/65/89/613476589.db2.gz	LCOICUQDEPHOHJ-SECBINFHSA-N	-1	0	256.302	0.248	20	30		CCEDRM
C=C[C@H](C)NS(=O)(=O)c1ccc(F)cc1-c1nn[nH]n1	ZINC000823882690	613483224	/nfs/dbraw/zinc/48/32/24/613483224.db2.gz	BPFSWGSREAKHPB-ZETCQYMHSA-N	-1	0	297.315	0.859	20	30		CCEDRM
C=C[C@H](C)O[N-]C(=O)C(=O)Nc1ccc(OC)nc1C	ZINC000846155689	613483647	/nfs/dbraw/zinc/48/36/47/613483647.db2.gz	VDLDSKAQTQOGQL-QMMMGPOBSA-N	-1	0	279.296	0.959	20	30		CCEDRM
C=C[C@H](C)O[N-]C(=O)C(=O)Nc1cc(C(=O)OC)n(C)c1	ZINC000846154068	613483671	/nfs/dbraw/zinc/48/36/71/613483671.db2.gz	NGDOKIPGLOFNHI-QMMMGPOBSA-N	-1	0	295.295	0.373	20	30		CCEDRM
C=C[C@H](O)C(=O)N1Cc2ccccc2[C@@H](C(=O)[O-])C1	ZINC000909424119	613495412	/nfs/dbraw/zinc/49/54/12/613495412.db2.gz	LUWRSMGBSIQTAY-RYUDHWBXSA-N	-1	0	261.277	0.744	20	30		CCEDRM
C=C[C@H]1CCCCN1C(=O)NCC(=O)[N-]OCC	ZINC000845537944	613500903	/nfs/dbraw/zinc/50/09/03/613500903.db2.gz	JFLGNXYDQAWINI-JTQLQIEISA-N	-1	0	255.318	0.804	20	30		CCEDRM
CC#CCCCC(=O)[N-]S(=O)(=O)c1cn(C)nc1C	ZINC000809031073	613520621	/nfs/dbraw/zinc/52/06/21/613520621.db2.gz	SNCJJSPCKYVPIC-UHFFFAOYSA-N	-1	0	283.353	0.727	20	30		CCEDRM
CC#CCCNC(=O)N1CCC[C@H](c2n[nH]c(=O)[n-]2)C1	ZINC000922039548	613521819	/nfs/dbraw/zinc/52/18/19/613521819.db2.gz	PUFYGPZLMBHDGE-JTQLQIEISA-N	-1	0	277.328	0.813	20	30		CCEDRM
C=CCCOCCNC(=O)NC1CN(C(=O)[O-])C1	ZINC000833374845	613575137	/nfs/dbraw/zinc/57/51/37/613575137.db2.gz	IQVWBANDESVNJN-UHFFFAOYSA-N	-1	0	257.290	0.241	20	30		CCEDRM
C=CCCS(=O)(=O)N[C@@H]1CCO[C@](C)(C(=O)[O-])C1	ZINC000906007752	613581586	/nfs/dbraw/zinc/58/15/86/613581586.db2.gz	CADDSECYJVYNDC-KOLCDFICSA-N	-1	0	277.342	0.504	20	30		CCEDRM
C=CCC[C@@H](NC(=O)C1(n2cccn2)CC1)C(=O)[O-]	ZINC000907662864	613584597	/nfs/dbraw/zinc/58/45/97/613584597.db2.gz	YBIOBSDJGVQYQD-SNVBAGLBSA-N	-1	0	263.297	0.908	20	30		CCEDRM
C=CCC[C@H](O)CN1CC[C@H](C(=O)[O-])C[C@H]1C(=O)OC	ZINC000833373450	613591033	/nfs/dbraw/zinc/59/10/33/613591033.db2.gz	PQFSNNYHWKHJGJ-SRVKXCTJSA-N	-1	0	285.340	0.652	20	30		CCEDRM
C=CCCn1cc(C(=O)N2CCO[C@](C)(C(=O)[O-])C2)nn1	ZINC000910328715	613593334	/nfs/dbraw/zinc/59/33/34/613593334.db2.gz	WETXHJANBSGZEH-ZDUSSCGKSA-N	-1	0	294.311	0.170	20	30		CCEDRM
C=CCCn1cc(C(=O)NC2CC(CC(=O)[O-])C2)nn1	ZINC000910807411	613594291	/nfs/dbraw/zinc/59/42/91/613594291.db2.gz	LYXNWZUYCWWCKT-UHFFFAOYSA-N	-1	0	278.312	0.837	20	30		CCEDRM
C=CCCn1cc(C([O-])=C(C#N)C(=O)N2CCCC2)nn1	ZINC000819943707	613597785	/nfs/dbraw/zinc/59/77/85/613597785.db2.gz	LHMDOYFFYWZLRL-NSHDSACASA-N	-1	0	287.323	0.799	20	30		CCEDRM
CC#CCS(=O)(=O)[N-]C(=O)[C@H]1CCCCS1	ZINC000810773506	613647161	/nfs/dbraw/zinc/64/71/61/613647161.db2.gz	AWVDBDJVYTYZRC-SECBINFHSA-N	-1	0	261.368	0.741	20	30		CCEDRM
C=CCN(C1CC1)S(=O)(=O)C1(C(=O)[O-])CCC1	ZINC000905039511	613641980	/nfs/dbraw/zinc/64/19/80/613641980.db2.gz	WICCSCGZEOTIQX-UHFFFAOYSA-N	-1	0	259.327	0.974	20	30		CCEDRM
C=CCN(CC(=O)[O-])C(=O)Cc1[nH]nc2c1CCCC2	ZINC000909516763	613642390	/nfs/dbraw/zinc/64/23/90/613642390.db2.gz	QSOPOKQSXFNLGE-UHFFFAOYSA-N	-1	0	277.324	0.930	20	30		CCEDRM
C=CCN(CC(=O)[O-])C(=O)Cn1ccc(C(F)F)n1	ZINC000909515714	613642425	/nfs/dbraw/zinc/64/24/25/613642425.db2.gz	FTGNSCIGJFVYAH-UHFFFAOYSA-N	-1	0	273.239	0.920	20	30		CCEDRM
C=CCN(CC(=O)[O-])C(=O)c1ccn(CCOC)n1	ZINC000851602948	613643761	/nfs/dbraw/zinc/64/37/61/613643761.db2.gz	DXVFQYJAYMNTHM-UHFFFAOYSA-N	-1	0	267.285	0.242	20	30		CCEDRM
CC#CCS(=O)(=O)[N-]C(=O)CCOC[C@H]1CCCO1	ZINC000810778151	613645870	/nfs/dbraw/zinc/64/58/70/613645870.db2.gz	WCJYNYJTIAEZTO-LLVKDONJSA-N	-1	0	289.353	0.041	20	30		CCEDRM
CC#CCS(=O)(=O)[N-]C(=O)CC1(COC)CC1	ZINC000842780816	613645928	/nfs/dbraw/zinc/64/59/28/613645928.db2.gz	REMPJMAYZKMVDO-UHFFFAOYSA-N	-1	0	259.327	0.272	20	30		CCEDRM
CC#CCS(=O)(=O)[N-]C(=O)C[C@H]1Cc2ccccc2O1	ZINC000870330915	613646131	/nfs/dbraw/zinc/64/61/31/613646131.db2.gz	XNGVEKVAJXWZQQ-GFCCVEGCSA-N	-1	0	293.344	0.850	20	30		CCEDRM
CC#CCS(=O)(=O)[N-]C(=O)[C@@H]1CC[C@H](CC)O1	ZINC000810775018	613646747	/nfs/dbraw/zinc/64/67/47/613646747.db2.gz	SRLNEQCYOIJXPP-UWVGGRQHSA-N	-1	0	259.327	0.413	20	30		CCEDRM
CC#CCS(=O)(=O)[N-]C(=O)[C@H]1CC[C@@H](CC)O1	ZINC000810775017	613647276	/nfs/dbraw/zinc/64/72/76/613647276.db2.gz	SRLNEQCYOIJXPP-NXEZZACHSA-N	-1	0	259.327	0.413	20	30		CCEDRM
CC#CCS(=O)(=O)[N-]C(=O)c1cc2n(n1)CCCC2	ZINC000835370819	613647425	/nfs/dbraw/zinc/64/74/25/613647425.db2.gz	AHXYTKCVCGKKEQ-UHFFFAOYSA-N	-1	0	281.337	0.302	20	30		CCEDRM
CC(=NNCC(=O)[O-])c1ccc2c(c1)NC(=O)CO2	ZINC000814958467	613654269	/nfs/dbraw/zinc/65/42/69/613654269.db2.gz	VTBSXTIMKDXWEF-UHFFFAOYSA-N	-1	0	263.253	0.416	20	30		CCEDRM
CC(=NNCC(=O)[O-])c1cnn(-c2ccccn2)c1C	ZINC000814958724	613654626	/nfs/dbraw/zinc/65/46/26/613654626.db2.gz	MUYPEEKKXUVQCK-UHFFFAOYSA-N	-1	0	273.296	0.974	20	30		CCEDRM
C=CCNC(=O)COC(=O)C(C)(C)CNC(=O)[O-]	ZINC000823506554	613847528	/nfs/dbraw/zinc/84/75/28/613847528.db2.gz	JCOAUDXIGCGXFK-UHFFFAOYSA-N	-1	0	258.274	0.126	20	30		CCEDRM
C=CCNC(=O)COC(=O)[C@@H](NC(=O)[O-])C(C)(C)C	ZINC000823506530	613847891	/nfs/dbraw/zinc/84/78/91/613847891.db2.gz	IMGKMTAUGBFNBF-SECBINFHSA-N	-1	0	272.301	0.514	20	30		CCEDRM
C=CCNC(=O)COC(=O)[C@@H]1CC[C@H](NC(=O)[O-])C1	ZINC000823506406	613848015	/nfs/dbraw/zinc/84/80/15/613848015.db2.gz	HHHQXWQLZXWCNS-BDAKNGLRSA-N	-1	0	270.285	0.268	20	30		CCEDRM
C=CCNC(=O)C(C#N)=C([O-])c1cccc(-n2cnnn2)c1	ZINC000916917451	613852930	/nfs/dbraw/zinc/85/29/30/613852930.db2.gz	KQMMNESXZKWMBC-LBPRGKRZSA-N	-1	0	296.290	0.287	20	30		CCEDRM
C=CCNC(=O)[C@@H](C)OC(=O)C[C@@H](C)NC(=O)[O-]	ZINC000823507389	613853776	/nfs/dbraw/zinc/85/37/76/613853776.db2.gz	WWMJGHINCQXAJM-HTQZYQBOSA-N	-1	0	258.274	0.267	20	30		CCEDRM
C=CCNC(=O)C(C#N)=C([O-])c1cnc2cc(C)nn2c1C	ZINC000916918905	613855034	/nfs/dbraw/zinc/85/50/34/613855034.db2.gz	XJCPYIZJAPFFPG-LLVKDONJSA-N	-1	0	297.318	0.971	20	30		CCEDRM
C=CCNC(=O)c1ccccc1NCC(=O)NCC(=O)[O-]	ZINC000819720222	613856659	/nfs/dbraw/zinc/85/66/59/613856659.db2.gz	OIKKREBKYAGPFG-UHFFFAOYSA-N	-1	0	291.307	0.215	20	30		CCEDRM
C=CCOCC(=O)N[C@@H](CC1(OC)CCC1)C(=O)[O-]	ZINC000909888659	613879370	/nfs/dbraw/zinc/87/93/70/613879370.db2.gz	IIDACIQUJQKLIM-JTQLQIEISA-N	-1	0	271.313	0.718	20	30		CCEDRM
C=CCOCC(=O)N[C@H](CC1CCOCC1)C(=O)[O-]	ZINC000910456473	613879536	/nfs/dbraw/zinc/87/95/36/613879536.db2.gz	BQTWTHHJZKVOIC-LLVKDONJSA-N	-1	0	271.313	0.575	20	30		CCEDRM
C=CCOCCCC(=O)N1CC([C@@H](F)C(=O)[O-])C1	ZINC000910135953	613879689	/nfs/dbraw/zinc/87/96/89/613879689.db2.gz	WWPIVXMRQBHUTR-LLVKDONJSA-N	-1	0	259.277	0.850	20	30		CCEDRM
C=CCOC[C@@H](NC(=O)CCCn1ccnc1C)C(=O)[O-]	ZINC000909771889	613881569	/nfs/dbraw/zinc/88/15/69/613881569.db2.gz	STJFILXOAKBZPR-GFCCVEGCSA-N	-1	0	295.339	0.744	20	30		CCEDRM
C=CCOC[C@@H](NC(=O)N[C@H]1CC1(C)C)C(=O)[O-]	ZINC000909239490	613881638	/nfs/dbraw/zinc/88/16/38/613881638.db2.gz	OFWJVFYDETZTLU-BDAKNGLRSA-N	-1	0	256.302	0.740	20	30		CCEDRM
C=CCOC[C@@H](NC(=O)Cc1ccoc1)C(=O)[O-]	ZINC000909772521	613881695	/nfs/dbraw/zinc/88/16/95/613881695.db2.gz	RFDSURLQHRNMNS-SNVBAGLBSA-N	-1	0	253.254	0.594	20	30		CCEDRM
C=CCOC[C@@H](NC(=O)Cc1cnccc1C)C(=O)[O-]	ZINC000909770630	613881715	/nfs/dbraw/zinc/88/17/15/613881715.db2.gz	HANLWPYUILLTTR-GFCCVEGCSA-N	-1	0	278.308	0.705	20	30		CCEDRM
C=CCOC[C@@H](NC(=O)[C@H]1CC12CC(OCC)C2)C(=O)[O-]	ZINC000864146768	613881811	/nfs/dbraw/zinc/88/18/11/613881811.db2.gz	XUNRWMNXORTMLT-HFXYEQLZSA-N	-1	0	297.351	0.964	20	30		CCEDRM
C=CCOC[C@@H](NC(=O)[C@H](C)Oc1ccccn1)C(=O)[O-]	ZINC000909769169	613881832	/nfs/dbraw/zinc/88/18/32/613881832.db2.gz	BLQPFPJPGLRDPP-WDEREUQCSA-N	-1	0	294.307	0.621	20	30		CCEDRM
C=CCOC[C@@H](NC(=O)c1cc(C)sn1)C(=O)[O-]	ZINC000909770978	613881866	/nfs/dbraw/zinc/88/18/66/613881866.db2.gz	KEFPTQKTRZTCBW-SECBINFHSA-N	-1	0	270.310	0.837	20	30		CCEDRM
C=CCOC[C@@H](NC(=O)c1cc(C2CC2)nn1C)C(=O)[O-]	ZINC000907669755	613881873	/nfs/dbraw/zinc/88/18/73/613881873.db2.gz	QKEYAIYOZZBRJD-LLVKDONJSA-N	-1	0	293.323	0.683	20	30		CCEDRM
C=CCOC[C@@H](NC(=O)c1cnn(CC)c1C)C(=O)[O-]	ZINC000909766353	613881899	/nfs/dbraw/zinc/88/18/99/613881899.db2.gz	HKKJHGYFGAOIOU-LLVKDONJSA-N	-1	0	281.312	0.597	20	30		CCEDRM
C=CCOC[C@H](NC(=O)Cc1ncccc1OC)C(=O)[O-]	ZINC000909770965	613882337	/nfs/dbraw/zinc/88/23/37/613882337.db2.gz	JXQUAJILUQRSMF-NSHDSACASA-N	-1	0	294.307	0.405	20	30		CCEDRM
C=CCOC[C@H](NC(=O)NC[C@H]1C=CCC1)C(=O)[O-]	ZINC000905559412	613882376	/nfs/dbraw/zinc/88/23/76/613882376.db2.gz	LLLOVQZHQPSOAJ-QWRGUYRKSA-N	-1	0	268.313	0.908	20	30		CCEDRM
C=CCOC[C@H](NC(=O)N[C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@H]12)C(=O)[O-]	ZINC000900298138	613882446	/nfs/dbraw/zinc/88/24/46/613882446.db2.gz	QKUNZOGTATUGBL-NAFSEIKSSA-N	-1	0	296.323	0.117	20	30		CCEDRM
C=CCOC[C@H](NC(=O)c1ccnn1C(C)C)C(=O)[O-]	ZINC000909769928	613882630	/nfs/dbraw/zinc/88/26/30/613882630.db2.gz	CSSLXCGMEHDXLA-JTQLQIEISA-N	-1	0	281.312	0.850	20	30		CCEDRM
C=CCO[N-]C(=O)CN1C(=O)NC2(CCC(C)CC2)C1=O	ZINC000837044006	613883163	/nfs/dbraw/zinc/88/31/63/613883163.db2.gz	UQQFFOCVRUUJCU-UHFFFAOYSA-N	-1	0	295.339	0.721	20	30		CCEDRM
C=CCONC(=O)Cc1cc(=O)n(CC(C)C)[n-]1	ZINC000821892230	613883189	/nfs/dbraw/zinc/88/31/89/613883189.db2.gz	ZIGWYZFZICRIQO-UHFFFAOYSA-N	-1	0	253.302	0.609	20	30		CCEDRM
C=CCO[N-]C(=O)[C@@]1(C2CCCC2)CCNC1=O	ZINC000861924168	613884368	/nfs/dbraw/zinc/88/43/68/613884368.db2.gz	LBJRXNBQSIUXGD-CYBMUJFWSA-N	-1	0	252.314	0.917	20	30		CCEDRM
C=CCS(=O)(=O)[N-]C(=O)C[C@H]1CCOC[C@@H]1OCC	ZINC000870256581	613886110	/nfs/dbraw/zinc/88/61/10/613886110.db2.gz	JGRQXJPQUNJARC-MNOVXSKESA-N	-1	0	291.369	0.450	20	30		CCEDRM
C=CCS(=O)(=O)[N-]C(=O)COCc1cc(C)no1	ZINC000802121746	613886136	/nfs/dbraw/zinc/88/61/36/613886136.db2.gz	OEJTWGCONAQXED-UHFFFAOYSA-N	-1	0	274.298	0.132	20	30		CCEDRM
CC(C)(C)C[C@@H](O)CNC(=O)[C@@](C)(C#N)CC(=O)[O-]	ZINC000819908859	613920184	/nfs/dbraw/zinc/92/01/84/613920184.db2.gz	VHJFFVJXSICIQC-NOZJJQNGSA-N	-1	0	270.329	0.904	20	30		CCEDRM
CC(C)(CC(=O)[O-])CC(=O)OCC(=O)NCC#N	ZINC000833456238	614078978	/nfs/dbraw/zinc/07/89/78/614078978.db2.gz	IGOMRNOGKIDKRS-UHFFFAOYSA-N	-1	0	256.258	0.060	20	30		CCEDRM
CC(C)N(C(=O)CN(CC#N)CC(=O)[O-])C(C)C	ZINC000826924888	614246780	/nfs/dbraw/zinc/24/67/80/614246780.db2.gz	UNZDNLQBZALNCP-UHFFFAOYSA-N	-1	0	255.318	0.542	20	30		CCEDRM
CC(C)(C#N)CC(=O)[N-]S(=O)(=O)[C@H]1COC(C)(C)C1	ZINC000861138201	614285139	/nfs/dbraw/zinc/28/51/39/614285139.db2.gz	ATRFKFIGYGBACE-SECBINFHSA-N	-1	0	288.369	0.940	20	30		CCEDRM
CC(C)[C@](C)(C#N)NC(=O)COC(=O)[C@H](C)NC(=O)[O-]	ZINC000833466046	614286287	/nfs/dbraw/zinc/28/62/87/614286287.db2.gz	QKKQLIALTBGUAC-UFBFGSQYSA-N	-1	0	285.300	0.240	20	30		CCEDRM
CCCCc1noc(CN(CC#N)CC(=O)[O-])n1	ZINC000829440657	614492130	/nfs/dbraw/zinc/49/21/30/614492130.db2.gz	ODZYONODDOPHMT-UHFFFAOYSA-N	-1	0	252.274	0.822	20	30		CCEDRM
C[C@](C#N)(CC(=O)[O-])C(=O)N[C@@H]1[C@@H]2CCO[C@H]2C1(C)C	ZINC000819822544	614863463	/nfs/dbraw/zinc/86/34/63/614863463.db2.gz	PETKXLCMQVDWFB-CYFJXOGMSA-N	-1	0	280.324	0.921	20	30		CCEDRM
CC1(OC(=O)c2ccc(C#N)nc2)CN(C(=O)[O-])C1	ZINC000825765981	614932822	/nfs/dbraw/zinc/93/28/22/614932822.db2.gz	DPIWVFTUOCMDNZ-UHFFFAOYSA-N	-1	0	261.237	0.862	20	30		CCEDRM
CCN(CC(=O)[O-])S(=O)(=O)c1ccsc1C#N	ZINC000844794725	614946658	/nfs/dbraw/zinc/94/66/58/614946658.db2.gz	IRXRSGKKAKOAMP-UHFFFAOYSA-N	-1	0	274.323	0.715	20	30		CCEDRM
CCC[C@@H](C#N)NC(=O)COC1CN(C(=O)[O-])C1	ZINC000826705938	614971088	/nfs/dbraw/zinc/97/10/88/614971088.db2.gz	KALFAGKTYMNXQL-QMMMGPOBSA-N	-1	0	255.274	0.174	20	30		CCEDRM
CCC[C@@H](C(=O)Nc1cc(C#N)ccc1[O-])S(N)(=O)=O	ZINC000831272673	614974059	/nfs/dbraw/zinc/97/40/59/614974059.db2.gz	ZMEJMKRYEXGHKJ-NSHDSACASA-N	-1	0	297.336	0.660	20	30		CCEDRM
CCC[C@@H](OC)C(=O)[N-]S(=O)(=O)CCCC#N	ZINC000835273084	615007145	/nfs/dbraw/zinc/00/71/45/615007145.db2.gz	GVRRDAJZKJYQEE-SECBINFHSA-N	-1	0	262.331	0.551	20	30		CCEDRM
CCC[C@@H](OCC)C(=O)[N-]S(=O)(=O)CC1(C#N)CC1	ZINC000860650293	615008195	/nfs/dbraw/zinc/00/81/95/615008195.db2.gz	WKHCPWYMBPXVOZ-SNVBAGLBSA-N	-1	0	288.369	0.941	20	30		CCEDRM
CCC[C@H](C#N)NC(=O)[C@@]1(F)CCN(C(=O)[O-])C1	ZINC000826705917	615033263	/nfs/dbraw/zinc/03/32/63/615033263.db2.gz	JGWGAPWHDNMICU-LDYMZIIASA-N	-1	0	257.265	0.887	20	30		CCEDRM
CCC[C@H](NC(=O)[O-])C(=O)NCC1CCN(CC#N)CC1	ZINC000826752457	615044643	/nfs/dbraw/zinc/04/46/43/615044643.db2.gz	VGJQTPBORBVDFQ-LBPRGKRZSA-N	-1	0	296.371	0.774	20	30		CCEDRM
CCN(C[C@@H](C)C#N)C(=O)[C@](C)(C#N)CC(=O)[O-]	ZINC000820332728	615061924	/nfs/dbraw/zinc/06/19/24/615061924.db2.gz	GSRQFCLIEUAPCE-CABZTGNLSA-N	-1	0	251.286	0.999	20	30		CCEDRM
CCN(C[C@@H](C)C(=O)[O-])S(=O)(=O)CC(C)(C)C#N	ZINC000905989842	615062091	/nfs/dbraw/zinc/06/20/91/615062091.db2.gz	PMRNABGTQXHKQS-SECBINFHSA-N	-1	0	276.358	0.909	20	30		CCEDRM
CCN1c2ccccc2C(=NNCCC(=O)[O-])C1=O	ZINC000820348045	615078540	/nfs/dbraw/zinc/07/85/40/615078540.db2.gz	HZOQSROLHYDURD-UHFFFAOYSA-N	-1	0	261.281	0.822	20	30		CCEDRM
CCN1CCN(C(=O)[C@](C)(C#N)CC(=O)[O-])C[C@H]1C	ZINC000820353948	615153234	/nfs/dbraw/zinc/15/32/34/615153234.db2.gz	IWRNCYBRTDUGSL-MFKMUULPSA-N	-1	0	267.329	0.544	20	30		CCEDRM
CCOC(=O)[C@@H](C)CNC(=O)[C@](C)(C#N)CC(=O)[O-]	ZINC000820360666	615261863	/nfs/dbraw/zinc/26/18/63/615261863.db2.gz	AQAANEZDMQMKJK-UFBFGSQYSA-N	-1	0	270.285	0.306	20	30		CCEDRM
CCOCCOCCCC(=O)N[C@H]1CCCN(O)C1=O	ZINC000854649401	615270081	/nfs/dbraw/zinc/27/00/81/615270081.db2.gz	YEJHZZXLMDGPLV-NSHDSACASA-N	-1	0	288.344	0.316	20	30		CCEDRM
CCO[N-]C(=O)CNC(=O)N1CCC[C@@](C)(C#N)C1	ZINC000845539370	615360678	/nfs/dbraw/zinc/36/06/78/615360678.db2.gz	FTHOWNWYWFMGLI-LBPRGKRZSA-N	-1	0	268.317	0.389	20	30		CCEDRM
CC[C@@H](C#N)NS(=O)(=O)c1cc(C(=O)[O-])ccc1OC	ZINC000833636601	615366567	/nfs/dbraw/zinc/36/65/67/615366567.db2.gz	XEJQPHGZMKMRNJ-VIFPVBQESA-N	-1	0	298.320	0.974	20	30		CCEDRM
CCOc1ccc(S(=O)(=O)[N-]C(=O)CCCC#N)cn1	ZINC000813082380	615512527	/nfs/dbraw/zinc/51/25/27/615512527.db2.gz	AKZIKYAXEHFFEN-UHFFFAOYSA-N	-1	0	297.336	0.979	20	30		CCEDRM
CCOc1ncccc1C(=O)[N-]S(=O)(=O)CCC#N	ZINC000835408253	615526031	/nfs/dbraw/zinc/52/60/31/615526031.db2.gz	FCUSEODHKLDGJO-UHFFFAOYSA-N	-1	0	283.309	0.454	20	30		CCEDRM
CC[C@@H]1CN(C(=O)[C@](C)(C#N)CC(=O)[O-])CCO1	ZINC000820297266	615560676	/nfs/dbraw/zinc/56/06/76/615560676.db2.gz	QYIKSIKHTRZOCC-SKDRFNHKSA-N	-1	0	254.286	0.628	20	30		CCEDRM
CCc1cc(C(=O)N2CCN(C(=O)[O-])C[C@H]2C#N)[nH]n1	ZINC000827555902	615615117	/nfs/dbraw/zinc/61/51/17/615615117.db2.gz	AWOQDIWXZDUBLX-SECBINFHSA-N	-1	0	277.284	0.300	20	30		CCEDRM
CCc1ccc(C#CC(=O)NCc2nnn[n-]2)cc1	ZINC000815558081	615660482	/nfs/dbraw/zinc/66/04/82/615660482.db2.gz	PADWSBXGCQJZQT-UHFFFAOYSA-N	-1	0	255.281	0.430	20	30		CCEDRM
CCc1nc(C#N)cc(N(CCOC)CCC(=O)[O-])n1	ZINC000900978346	615724378	/nfs/dbraw/zinc/72/43/78/615724378.db2.gz	HJXOUCJGYNWSPF-UHFFFAOYSA-N	-1	0	278.312	0.838	20	30		CCEDRM
CCc1nnc([C@@H](C)NC(=O)[C@](C)(C#N)CC(=O)[O-])[nH]1	ZINC000820492855	615753131	/nfs/dbraw/zinc/75/31/31/615753131.db2.gz	SCSKLNMPKDMUND-KRTXAFLBSA-N	-1	0	279.300	0.549	20	30		CCEDRM
CC[C@H](NN=C(C)C[C@@H]1CCCC(=O)N1)C(=O)[O-]	ZINC000841641809	615819905	/nfs/dbraw/zinc/81/99/05/615819905.db2.gz	AEUROINCFMBQHG-UWVGGRQHSA-N	-1	0	255.318	0.874	20	30		CCEDRM
CCc1noc(COC(=O)[C@@](C)(C#N)CC(=O)[O-])n1	ZINC000820506306	615840565	/nfs/dbraw/zinc/84/05/65/615840565.db2.gz	BBBCRBQOHPZOQM-LLVKDONJSA-N	-1	0	267.241	0.680	20	30		CCEDRM
CCn1c(=O)c2ccc(C(=O)NO)cc2[n-]c1=S	ZINC000843046549	615925128	/nfs/dbraw/zinc/92/51/28/615925128.db2.gz	YYSUFYMIEGMKAM-UHFFFAOYSA-N	-1	0	265.294	0.824	20	30		CCEDRM
CC[C@](C)(C#N)C(=O)N1C[C@@H](C)O[C@H](C(=O)[O-])C1	ZINC000923097814	615942055	/nfs/dbraw/zinc/94/20/55/615942055.db2.gz	BGHIJTDDPFOUAQ-VDDIYKPWSA-N	-1	0	254.286	0.627	20	30		CCEDRM
CN(C)C(=O)CN(C)[C@H](C(=O)[O-])c1ccc(C#N)cc1	ZINC000830551568	615960520	/nfs/dbraw/zinc/96/05/20/615960520.db2.gz	CCCIDJWEFUAAIA-ZDUSSCGKSA-N	-1	0	275.308	0.704	20	30		CCEDRM
CC[S@](=O)c1ccccc1C(=O)N[C@@H]1CCN(O)C1=O	ZINC000820157122	616017843	/nfs/dbraw/zinc/01/78/43/616017843.db2.gz	SHJKQVFUUSFOEP-SBKAZYGRSA-N	-1	0	296.348	0.534	20	30		CCEDRM
CN(C)c1nc(CNC(=O)[C@@](C)(C#N)CC(=O)[O-])cs1	ZINC000820554209	616033712	/nfs/dbraw/zinc/03/37/12/616033712.db2.gz	IQHAUIWNCFDBII-GFCCVEGCSA-N	-1	0	296.352	0.830	20	30		CCEDRM
CN(CCC#N)Cc1noc(CCCC(=O)[O-])n1	ZINC000830727375	616067899	/nfs/dbraw/zinc/06/78/99/616067899.db2.gz	REPYQOBSLIUXHQ-UHFFFAOYSA-N	-1	0	252.274	0.822	20	30		CCEDRM
CN(Cc1ncc[nH]1)C(=O)[C@](C)(C#N)CC(=O)[O-]	ZINC000820607450	616105643	/nfs/dbraw/zinc/10/56/43/616105643.db2.gz	CJHHYGOOEYFIHN-NSHDSACASA-N	-1	0	250.258	0.373	20	30		CCEDRM
CN(C[C@@H]1CCOC1)C(=O)[C@](C)(C#N)CC(=O)[O-]	ZINC000820579878	616144443	/nfs/dbraw/zinc/14/44/43/616144443.db2.gz	LXWFSVCWAHLKBN-CABZTGNLSA-N	-1	0	254.286	0.486	20	30		CCEDRM
CN(C[C@H]1CCCOC1)C(=O)[C@@](C)(C#N)CC(=O)[O-]	ZINC000820574201	616154850	/nfs/dbraw/zinc/15/48/50/616154850.db2.gz	GVRSMZBGGLEEQQ-ZWNOBZJWSA-N	-1	0	268.313	0.876	20	30		CCEDRM
CN1CCC(=N[N-]c2ncc(Br)cn2)C1=O	ZINC000848421538	616165474	/nfs/dbraw/zinc/16/54/74/616165474.db2.gz	YBWGONAUDRBFGG-UHFFFAOYSA-N	-1	0	284.117	0.869	20	30		CCEDRM
CN1C[C@@H](O)C[C@]1(C)C(=O)Nc1cc(C#N)ccc1[O-]	ZINC000901224863	616347183	/nfs/dbraw/zinc/34/71/83/616347183.db2.gz	DZBZKKMGAMSYFF-IINYFYTJSA-N	-1	0	275.308	0.657	20	30		CCEDRM
COC1(C(=O)[N-]S(=O)(=O)Cc2cccc(C#N)c2)CC1	ZINC000842705310	616425740	/nfs/dbraw/zinc/42/57/40/616425740.db2.gz	WEBOVBALQHUZKX-UHFFFAOYSA-N	-1	0	294.332	0.683	20	30		CCEDRM
COCCNC(=O)C(C#N)=C([O-])c1csc(COC)n1	ZINC000920838769	616492886	/nfs/dbraw/zinc/49/28/86/616492886.db2.gz	PXIWAMSFWIKKNB-QMMMGPOBSA-N	-1	0	297.336	0.375	20	30		CCEDRM
COC(=O)CCCN1CCN(C(=O)[O-])C[C@@H]1C#N	ZINC000828669956	616530226	/nfs/dbraw/zinc/53/02/26/616530226.db2.gz	ABSXZBWGVNYSLK-VIFPVBQESA-N	-1	0	255.274	0.127	20	30		CCEDRM
COCCOCc1ccc(C=NNCC(=O)[O-])cc1	ZINC000814960614	616569757	/nfs/dbraw/zinc/56/97/57/616569757.db2.gz	QTWZCBQSBNHVDS-UHFFFAOYSA-N	-1	0	266.297	0.858	20	30		CCEDRM
COCCO[N-]C(=O)COc1ccc(C#N)cc1	ZINC000135137876	616573336	/nfs/dbraw/zinc/57/33/36/616573336.db2.gz	WHISEZMHTFZYOW-UHFFFAOYSA-N	-1	0	250.254	0.631	20	30		CCEDRM
CO[C@@H]1CCC[C@@H]1CNC(=O)[C@@](C)(C#N)CC(=O)[O-]	ZINC000820702803	616630024	/nfs/dbraw/zinc/63/00/24/616630024.db2.gz	GFSMJCOSSCXRNX-GIPNMCIBSA-N	-1	0	268.313	0.922	20	30		CCEDRM
COC(=O)[C@H]1CCN(CC2(C#N)CC2)[C@H](C(=O)[O-])C1	ZINC000833706041	616663952	/nfs/dbraw/zinc/66/39/52/616663952.db2.gz	FGZSSHKXZPGWSP-UWVGGRQHSA-N	-1	0	266.297	0.628	20	30		CCEDRM
COCCn1c(=O)cc([O-])nc1SCCOCCC#N	ZINC000901653761	616714021	/nfs/dbraw/zinc/71/40/21/616714021.db2.gz	NMOYURAGGMTPKD-UHFFFAOYSA-N	-1	0	299.352	0.618	20	30		CCEDRM
COC[C@@H](C)CC(=O)N1CCN(C(=O)[O-])C[C@H]1C#N	ZINC000828897309	616783773	/nfs/dbraw/zinc/78/37/73/616783773.db2.gz	RMMQDCLKNCIWSN-VHSXEESVSA-N	-1	0	269.301	0.373	20	30		CCEDRM
COCCC1(C(=O)[N-]S(=O)(=O)CCC#N)CCCC1	ZINC000835410119	616839249	/nfs/dbraw/zinc/83/92/49/616839249.db2.gz	CVBVFAKDSSYYEW-UHFFFAOYSA-N	-1	0	288.369	0.943	20	30		CCEDRM
COCCCCCn1cnc(C#N)c1-c1nn[nH]n1	ZINC000826156314	616861763	/nfs/dbraw/zinc/86/17/63/616861763.db2.gz	XZKYSTIWXJWCEJ-UHFFFAOYSA-N	-1	0	261.289	0.752	20	30		CCEDRM
COC[C@@H](NC(=O)[C@]1(C#N)CC12CCCC2)C(=O)[O-]	ZINC000923077470	616894297	/nfs/dbraw/zinc/89/42/97/616894297.db2.gz	RORLSAATOBJWJE-NOZJJQNGSA-N	-1	0	266.297	0.676	20	30		CCEDRM
COCCCNC(=O)C(C#N)=C([O-])c1ccc(OC)nc1	ZINC000916871019	616898617	/nfs/dbraw/zinc/89/86/17/616898617.db2.gz	PUDLEJIMPIJBPF-NSHDSACASA-N	-1	0	291.307	0.565	20	30		CCEDRM
COC(=O)c1ccc(CNC(=O)[C@@](C)(C#N)CC(=O)[O-])o1	ZINC000820685283	616903322	/nfs/dbraw/zinc/90/33/22/616903322.db2.gz	NWHBYDMYDCGJAS-CYBMUJFWSA-N	-1	0	294.263	0.687	20	30		CCEDRM
COC[C@@H](O)C/N=C/c1cc([N+](=O)[O-])ccc1[O-]	ZINC000801645849	616905164	/nfs/dbraw/zinc/90/51/64/616905164.db2.gz	GZZVBABVVQNASV-YIVIPITNSA-N	-1	0	254.242	0.727	20	30		CCEDRM
COCCCOC1CN(C(=O)[C@](C)(C#N)CC(=O)[O-])C1	ZINC000820719005	616910643	/nfs/dbraw/zinc/91/06/43/616910643.db2.gz	KSMIQXXJXCOOFE-ZDUSSCGKSA-N	-1	0	284.312	0.255	20	30		CCEDRM
COC(=O)c1ccc(O)c(C=NN(C)[C@@H](C)CO)c1	ZINC000842541481	616918419	/nfs/dbraw/zinc/91/84/19/616918419.db2.gz	SGVQKUCACJTCSS-VIFPVBQESA-N	-1	0	266.297	0.825	20	30		CCEDRM
COC(=O)c1ccc(O)c(C=NNC[C@@H](C)O)c1	ZINC000814961504	616918602	/nfs/dbraw/zinc/91/86/02/616918602.db2.gz	LCNMNOLINIIAKK-MRVPVSSYSA-N	-1	0	252.270	0.483	20	30		CCEDRM
COCCN(CC(=O)Nc1cc(CC#N)ccn1)C(=O)[O-]	ZINC000828976744	616980200	/nfs/dbraw/zinc/98/02/00/616980200.db2.gz	RJYITMCVYBIRTL-UHFFFAOYSA-N	-1	0	292.295	0.713	20	30		CCEDRM
COCCN(CC(=O)N[C@H]1CCC[C@@H]1C#N)C(=O)[O-]	ZINC000828976088	616980332	/nfs/dbraw/zinc/98/03/32/616980332.db2.gz	IBCHIBMUBSWRNA-ZJUUUORDSA-N	-1	0	269.301	0.421	20	30		CCEDRM
COC[C@@](C)(C#N)NC(=O)C1CCC(NC(=O)[O-])CC1	ZINC000828886783	617011425	/nfs/dbraw/zinc/01/14/25/617011425.db2.gz	XBCCJGXZRKPQLA-SRHKJQAYSA-N	-1	0	283.328	0.858	20	30		CCEDRM
COC[C@H](C#N)OC(=O)CC1(NC(=O)[O-])CCC1	ZINC000833882570	617046600	/nfs/dbraw/zinc/04/66/00/617046600.db2.gz	OPFVNTNYPXVSJB-QMMMGPOBSA-N	-1	0	256.258	0.649	20	30		CCEDRM
COC[C@H](C#N)OC(=O)C(C)(C)[N-]C(=O)C(F)(F)F	ZINC000857067794	617046755	/nfs/dbraw/zinc/04/67/55/617046755.db2.gz	RHRMDGSHZQJTSG-LURJTMIESA-N	-1	0	282.218	0.525	20	30		CCEDRM
CO[C@H]1CC[C@H](C(=O)[N-]S(=O)(=O)CCC#N)C1	ZINC000851016365	617104472	/nfs/dbraw/zinc/10/44/72/617104472.db2.gz	RTOICYIYSSHUIK-IUCAKERBSA-N	-1	0	260.315	0.161	20	30		CCEDRM
Cc1n[nH]c(C(=O)N[C@H]2CCN(CC#N)[C@@H](C)C2)c1[O-]	ZINC000947205219	623218042	/nfs/dbraw/zinc/21/80/42/623218042.db2.gz	NQDBCQFVPXECGF-WPRPVWTQSA-N	-1	0	277.328	0.530	20	30		CCEDRM
C#C[C@@H](CCC)NS(=O)(=O)c1c[nH]c(C(=O)[O-])c1	ZINC000229873558	623572071	/nfs/dbraw/zinc/57/20/71/623572071.db2.gz	NNEMEGSGAMWLEL-QMMMGPOBSA-N	-1	0	270.310	0.793	20	30		CCEDRM
N#Cc1cc(S(=O)(=O)NC/C=C/C(=O)[O-])ccc1F	ZINC000311764865	623799242	/nfs/dbraw/zinc/79/92/42/623799242.db2.gz	BCIDFFYMWBPHQU-OWOJBTEDSA-N	-1	0	284.268	0.616	20	30		CCEDRM
C#CCCCCNC(=O)N[C@@](C)(COC)C(=O)[O-]	ZINC000328542552	623886760	/nfs/dbraw/zinc/88/67/60/623886760.db2.gz	JJQCZTRKSMDZBN-LBPRGKRZSA-N	-1	0	256.302	0.579	20	30		CCEDRM
CC(C)S(=O)(=O)[N-]C(=O)c1ccc(C(N)=O)cc1	ZINC000049418106	624460586	/nfs/dbraw/zinc/46/05/86/624460586.db2.gz	GIKPUDKJUKQFCV-UHFFFAOYSA-N	-1	0	270.310	0.828	20	30		CCEDRM
C#C[C@@H](NC(=O)N1CCO[C@H](C(=O)[O-])C1)C(C)C	ZINC000305932932	624824442	/nfs/dbraw/zinc/82/44/42/624824442.db2.gz	PILULSATQSWDOP-ZJUUUORDSA-N	-1	0	254.286	0.139	20	30		CCEDRM
CCc1nc(C#N)cc(N2CCOC[C@H]2C(=O)[O-])n1	ZINC000308394463	624869088	/nfs/dbraw/zinc/86/90/88/624869088.db2.gz	CMRGTPPGLWHNFM-VIFPVBQESA-N	-1	0	262.269	0.200	20	30		CCEDRM
C#C[C@@H](NC(=O)N1CC[C@@](COC)(C(=O)[O-])C1)C(C)C	ZINC000313602245	625856526	/nfs/dbraw/zinc/85/65/26/625856526.db2.gz	BJYDGRAYJFYWNN-BXUZGUMPSA-N	-1	0	282.340	0.777	20	30		CCEDRM
C=CCCCN(CC)C(=O)C(=O)N1CCO[C@H](C(=O)[O-])C1	ZINC000904948975	634770870	/nfs/dbraw/zinc/77/08/70/634770870.db2.gz	VJAZBIAHZKDCKA-NSHDSACASA-N	-1	0	298.339	0.113	20	30		CCEDRM
N#CC[C@@H](NC(=O)C[C@]1(C(=O)[O-])CCOC1)C(F)(F)F	ZINC000905130608	634805643	/nfs/dbraw/zinc/80/56/43/634805643.db2.gz	YBFXYMWCOIIFLH-GMSGAONNSA-N	-1	0	294.229	0.829	20	30		CCEDRM
Cc1n[nH]c(C(=O)N[C@@H]2CCC[C@@H](NCC#N)C2)c1[O-]	ZINC000981019597	631219556	/nfs/dbraw/zinc/21/95/56/631219556.db2.gz	FKDNPRLPFGSAGF-NXEZZACHSA-N	-1	0	277.328	0.578	20	30		CCEDRM
COc1ccc(C(=O)[N-]S(=O)(=O)c2cnn(C)c2)cn1	ZINC000048519990	631730296	/nfs/dbraw/zinc/73/02/96/631730296.db2.gz	IQDYLDVZAAHHKK-UHFFFAOYSA-N	-1	0	296.308	0.517	20	30		CCEDRM
Cn1cc(C=CC(=O)[N-]S(=O)(=O)c2cnn(C)c2)cn1	ZINC000048519973	631730379	/nfs/dbraw/zinc/73/03/79/631730379.db2.gz	SQGFEXLBAVNCGZ-ONEGZZNKSA-N	-1	0	295.324	0.512	20	30		CCEDRM
N#Cc1cn(C2CN(c3nccs3)C2)c(=O)[n-]c1=O	ZINC000894716159	631817584	/nfs/dbraw/zinc/81/75/84/631817584.db2.gz	WAHWFNKGDQDASP-UHFFFAOYSA-N	-1	0	275.293	0.338	20	30		CCEDRM
Cn1cc(C(=O)[N-]S(=O)(=O)N2CCCC2)cn1	ZINC000048869474	631848832	/nfs/dbraw/zinc/84/88/32/631848832.db2.gz	ILEGBNDYJZKETH-UHFFFAOYSA-N	-1	0	258.303	0.065	20	30		CCEDRM
CCc1ncsc1C([O-])=C(C#N)C(=O)NCCOC	ZINC000178954382	631924445	/nfs/dbraw/zinc/92/44/45/631924445.db2.gz	MBFGTGOQXGUDOX-MRVPVSSYSA-N	-1	0	281.337	0.791	20	30		CCEDRM
CSC[C@@H](NC(=O)COc1ccc(C#N)cc1)C(=O)[O-]	ZINC000910886863	635852539	/nfs/dbraw/zinc/85/25/39/635852539.db2.gz	BTXCFTYDNNWZRK-LLVKDONJSA-N	-1	0	294.332	0.869	20	30		CCEDRM
N#Cc1cccc(S(=O)(=O)N2C[C@H]3[C@H](C(=O)[O-])[C@H]3C2)c1	ZINC000899940133	633926609	/nfs/dbraw/zinc/92/66/09/633926609.db2.gz	WPLRORNCZOGKIA-GDNZZTSVSA-N	-1	0	292.316	0.509	20	30		CCEDRM
N#Cc1ccc(CC(=O)N2CC[C@H](C(=O)[O-])C2)cn1	ZINC000901440799	634247899	/nfs/dbraw/zinc/24/78/99/634247899.db2.gz	ZYOSABCYANBCLM-JTQLQIEISA-N	-1	0	259.265	0.429	20	30		CCEDRM
C[C@H](C(=O)[O-])N(C(=O)Cc1ccc(C#N)nc1)C1CC1	ZINC000901640321	634265731	/nfs/dbraw/zinc/26/57/31/634265731.db2.gz	QSGGCDCKFNDEGS-SECBINFHSA-N	-1	0	273.292	0.960	20	30		CCEDRM
CCC[C@H](C#N)[N-]S(=O)(=O)N=S1(=O)CCCC1	ZINC000906062285	634954846	/nfs/dbraw/zinc/95/48/46/634954846.db2.gz	XWCUMZLXWYVXSS-SECBINFHSA-N	-1	0	279.387	0.775	20	30		CCEDRM
O=C([O-])[C@@]1(C(=O)NCC#CCO)C[C@H]1c1ccccc1	ZINC000907827319	635215980	/nfs/dbraw/zinc/21/59/80/635215980.db2.gz	ZDGBSQMUDFIOOR-WFASDCNBSA-N	-1	0	273.288	0.357	20	30		CCEDRM
C=CCCCN(CC)C(=O)C(=O)N[C@H]1C[C@H](C(=O)[O-])C1	ZINC000910493520	635789313	/nfs/dbraw/zinc/78/93/13/635789313.db2.gz	COXVILKPLGOEIJ-XYPYZODXSA-N	-1	0	282.340	0.781	20	30		CCEDRM
C=C[C@H](O)C(=O)Nc1nc(CCC(=O)[O-])cs1	ZINC000910645595	635814999	/nfs/dbraw/zinc/81/49/99/635814999.db2.gz	GNFANRREVLUQEB-ZETCQYMHSA-N	-1	0	256.283	0.646	20	30		CCEDRM
C[C@@]1(C(=O)[N-]Oc2cccc(C#N)c2)CCCS1(=O)=O	ZINC000913666842	637402895	/nfs/dbraw/zinc/40/28/95/637402895.db2.gz	MFFXJKYNCCBCGF-ZDUSSCGKSA-N	-1	0	294.332	0.936	20	30		CCEDRM
N#CCCCS(=O)(=O)[N-]C(=O)c1cccc2c[nH]nc21	ZINC000181282395	638329712	/nfs/dbraw/zinc/32/97/12/638329712.db2.gz	OLAIQSAMXNNSEU-UHFFFAOYSA-N	-1	0	292.320	0.926	20	30		CCEDRM
N#C[C@]1(C(=O)N2CCC[C@@H]2CC(=O)[O-])CCCOC1	ZINC000923079109	640019167	/nfs/dbraw/zinc/01/91/67/640019167.db2.gz	NLTAHQMNHDFKIU-ZWNOBZJWSA-N	-1	0	266.297	0.772	20	30		CCEDRM
N#C[C@]1(C(=O)NC[C@H]2[C@@H](C(=O)[O-])C2(F)F)CCCOC1	ZINC000923099572	640021326	/nfs/dbraw/zinc/02/13/26/640021326.db2.gz	LOAINGBFQJLLEK-DKCNOQQISA-N	-1	0	288.250	0.389	20	30		CCEDRM
N#CC1(C(=O)NC[C@H]2CCO[C@H]2C(=O)[O-])CC2(CC2)C1	ZINC000923100331	640021871	/nfs/dbraw/zinc/02/18/71/640021871.db2.gz	KJSWHCRIXBHOCS-NXEZZACHSA-N	-1	0	278.308	0.676	20	30		CCEDRM
Cc1[nH]c(C=NN[C@@H]2CCS(=O)(=O)C2)cc1C(=O)[O-]	ZINC000800803824	640621645	/nfs/dbraw/zinc/62/16/45/640621645.db2.gz	WNECMBXGPIMIBK-MRVPVSSYSA-N	-1	0	285.325	0.132	20	30		CCEDRM
C#CCCCC(=O)[N-]S(=O)(=O)[C@H](C)[C@H](C)C(=O)OC	ZINC000802162896	640688327	/nfs/dbraw/zinc/68/83/27/640688327.db2.gz	DETLCMILVFMYLZ-VHSXEESVSA-N	-1	0	289.353	0.434	20	30		CCEDRM
Cc1cnc([N-]S(=O)(=O)c2cncc(C#N)c2)nc1	ZINC000811825849	640988897	/nfs/dbraw/zinc/98/88/97/640988897.db2.gz	SDURQEBYTYGQBM-UHFFFAOYSA-N	-1	0	275.293	0.853	20	30		CCEDRM
C[C@@H]1C[C@H]1C(=O)[N-]S(=O)(=O)c1cncc(C#N)c1	ZINC000813983469	641051944	/nfs/dbraw/zinc/05/19/44/641051944.db2.gz	WJMKQNJNZAFASJ-GMSGAONNSA-N	-1	0	265.294	0.414	20	30		CCEDRM
Cn1ccc(C(=O)[N-]S(=O)(=O)c2cncc(C#N)c2)c1	ZINC000813984058	641052262	/nfs/dbraw/zinc/05/22/62/641052262.db2.gz	JAECGBOOAAFXEO-UHFFFAOYSA-N	-1	0	290.304	0.410	20	30		CCEDRM
O=c1[n-][nH]c(=O)n1N=Cc1ccnn1-c1ccc(F)cc1	ZINC000814231353	641061064	/nfs/dbraw/zinc/06/10/64/641061064.db2.gz	DOLJFOKESJHROM-UHFFFAOYSA-N	-1	0	288.242	0.896	20	30		CCEDRM
Cc1cccn2c(C=Nn3c(=O)[n-][nH]c3=O)cnc12	ZINC000814233563	641062440	/nfs/dbraw/zinc/06/24/40/641062440.db2.gz	WFANBVWPXSLEFT-UHFFFAOYSA-N	-1	0	258.241	0.528	20	30		CCEDRM
C[C@H]1C[C@@H](C(=O)[O-])CCC1=NNCCS(C)(=O)=O	ZINC000814849431	641078183	/nfs/dbraw/zinc/07/81/83/641078183.db2.gz	VKDZFJGTUPSPQS-IUCAKERBSA-N	-1	0	276.358	0.497	20	30		CCEDRM
Cc1cc(C#N)cnc1C(=O)[N-]S(=O)(=O)N1CCCC1	ZINC000815920375	641129949	/nfs/dbraw/zinc/12/99/49/641129949.db2.gz	HGCJUEODPWNNJO-UHFFFAOYSA-N	-1	0	294.336	0.332	20	30		CCEDRM
N#CC1(CS(=O)(=O)[N-]C(=O)c2ncoc2C2CC2)CC1	ZINC000816015140	641135882	/nfs/dbraw/zinc/13/58/82/641135882.db2.gz	ZVAYPFCHSVBXKZ-UHFFFAOYSA-N	-1	0	295.320	0.915	20	30		CCEDRM
O=C(N[C@H]1CCN(O)C1=O)c1cc(F)cc(F)c1[O-]	ZINC000820120238	641459319	/nfs/dbraw/zinc/45/93/19/641459319.db2.gz	MEMAVYORVRYZOQ-QMMMGPOBSA-N	-1	0	272.207	0.390	20	30		CCEDRM
N#CCN1CC[C@@H](NC(=O)c2ccc3oc(=O)nc-3[n-]2)C1	ZINC001015988823	650669879	/nfs/dbraw/zinc/66/98/79/650669879.db2.gz	GBFKOYWYRUDBFN-MRVPVSSYSA-N	-1	0	287.279	0.256	20	30		CCEDRM
N#CCCS(=O)(=O)[N-]C(=O)/C=C\[C@@H]1CCCO1	ZINC000821047421	641558347	/nfs/dbraw/zinc/55/83/47/641558347.db2.gz	OJYZWPNTIDFYEF-WBSSQXGSSA-N	-1	0	258.299	0.081	20	30		CCEDRM
N#CCCS(=O)(=O)[N-]C(=O)[C@@H]1CCOc2ccccc21	ZINC000821582821	641611705	/nfs/dbraw/zinc/61/17/05/641611705.db2.gz	YOHYPCRVQJOMNG-LLVKDONJSA-N	-1	0	294.332	0.912	20	30		CCEDRM
C#CCN(C(=O)c1cccc(-n2[n-]nnc2=N)c1)C1CC1	ZINC000821962412	641638780	/nfs/dbraw/zinc/63/87/80/641638780.db2.gz	ZAIAPUNEQAIBGC-UHFFFAOYSA-N	-1	0	282.307	0.313	20	30		CCEDRM
C[C@@H]1CCC[C@@H](C)N1C(=O)CN(CC#N)CC(=O)[O-]	ZINC000828239600	642074806	/nfs/dbraw/zinc/07/48/06/642074806.db2.gz	PBSZCDMGOXCIDH-GHMZBOCLSA-N	-1	0	267.329	0.686	20	30		CCEDRM
O=C([O-])c1ccc(N=NC2CCNC(=O)CC2)cn1	ZINC000835009723	642645375	/nfs/dbraw/zinc/64/53/75/642645375.db2.gz	BQPIWNHAGSUIMC-UHFFFAOYSA-N	-1	0	262.269	0.848	20	30		CCEDRM
N#CCC1(CS(=O)(=O)N[C@H](CC(=O)[O-])C2CC2)CC1	ZINC000844786735	643248452	/nfs/dbraw/zinc/24/84/52/643248452.db2.gz	CWDQPUUQVMPNQB-SNVBAGLBSA-N	-1	0	286.353	0.853	20	30		CCEDRM
N#Cc1sccc1S(=O)(=O)NC[C@@H](F)C(=O)[O-]	ZINC000844797824	643249566	/nfs/dbraw/zinc/24/95/66/643249566.db2.gz	CJVPYULSJTUBQK-RXMQYKEDSA-N	-1	0	278.286	0.321	20	30		CCEDRM
O=C([O-])C#CC1CCN(S(=O)(=O)CC2CCC2)CC1	ZINC000844813861	643250006	/nfs/dbraw/zinc/25/00/06/643250006.db2.gz	BVNFCJOQEBPMCD-UHFFFAOYSA-N	-1	0	285.365	0.916	20	30		CCEDRM
C[C@@H](CC(=O)[N-]S(=O)(=O)CCC#N)n1ccnc1	ZINC000845560145	643328999	/nfs/dbraw/zinc/32/89/99/643328999.db2.gz	KFYJMXFLRIMIJH-VIFPVBQESA-N	-1	0	270.314	0.194	20	30		CCEDRM
N#CC1(C[N-]S(=O)(=O)N=S2(=O)CCCC2)CCC1	ZINC000867417107	643400798	/nfs/dbraw/zinc/40/07/98/643400798.db2.gz	YNXMJQDWYUUFGN-UHFFFAOYSA-N	-1	0	291.398	0.776	20	30		CCEDRM
O=C(N[C@H]1CCCN(O)C1=O)c1cccc([O-])c1[N+](=O)[O-]	ZINC000848131855	643600456	/nfs/dbraw/zinc/60/04/56/643600456.db2.gz	DWYYWDDOLONRJO-QMMMGPOBSA-N	-1	0	295.251	0.410	20	30		CCEDRM
C[C@@H](CC#N)C(=O)[N-]S(=O)(=O)CC1(C#N)CCC1	ZINC000850960329	643824487	/nfs/dbraw/zinc/82/44/87/643824487.db2.gz	DZDPWTLDDBKHCT-VIFPVBQESA-N	-1	0	269.326	0.676	20	30		CCEDRM
C[C@@H](CC#N)C(=O)[N-]S(=O)(=O)c1ncccc1F	ZINC000850982238	643825264	/nfs/dbraw/zinc/82/52/64/643825264.db2.gz	JNASVLILEWBAPF-ZETCQYMHSA-N	-1	0	271.273	0.575	20	30		CCEDRM
Cc1nn(C)cc1S(=O)(=O)[N-]C(=O)[C@@H](C)CC#N	ZINC000851024931	643827534	/nfs/dbraw/zinc/82/75/34/643827534.db2.gz	BTDPVMZTNDPUOY-ZETCQYMHSA-N	-1	0	270.314	0.083	20	30		CCEDRM
N#Cc1nc(NC(=O)[C@H]2CCc3nc[nH]c3C2)[n-]c1C#N	ZINC000856920272	644442771	/nfs/dbraw/zinc/44/27/71/644442771.db2.gz	RYDRJDSZANVBFR-ZETCQYMHSA-N	-1	0	281.279	0.620	20	30		CCEDRM
C[C@]1(Br)C[C@@H]1C(=O)[N-]S(=O)(=O)CCC#N	ZINC000860751335	644823353	/nfs/dbraw/zinc/82/33/53/644823353.db2.gz	BVAHKZWMDQSFLZ-SVRRBLITSA-N	-1	0	295.158	0.520	20	30		CCEDRM
C#CCCCC(=O)[N-]S(=O)(=O)[C@H]1COC(C)(C)C1	ZINC000861138657	644859246	/nfs/dbraw/zinc/85/92/46/644859246.db2.gz	KUKKUDAIIILKNC-SNVBAGLBSA-N	-1	0	273.354	0.803	20	30		CCEDRM
O=C([O-])C1CCC(=NN[C@@H]2CCCS(=O)(=O)C2)CC1	ZINC000863131717	645062135	/nfs/dbraw/zinc/06/21/35/645062135.db2.gz	NNGDGGVYDLBVOI-HCCKASOXSA-N	-1	0	288.369	0.784	20	30		CCEDRM
O=C([O-])COc1cccc(C=NN2CCOC2=O)c1	ZINC000863163226	645064231	/nfs/dbraw/zinc/06/42/31/645064231.db2.gz	UGIWFHFMJZQHNS-UHFFFAOYSA-N	-1	0	264.237	0.936	20	30		CCEDRM
C[C@H]1C[C@@H](C(=O)[O-])CCC1=Nn1ccc(=O)[nH]c1=O	ZINC000863182350	645067567	/nfs/dbraw/zinc/06/75/67/645067567.db2.gz	ITGHVDPOMOGYPZ-YUMQZZPRSA-N	-1	0	265.269	0.674	20	30		CCEDRM
COc1ccc(Cn2[n-]nnc2=NCCC#N)cc1	ZINC000865732793	645405041	/nfs/dbraw/zinc/40/50/41/645405041.db2.gz	KBXFWPWBILGQBC-UHFFFAOYSA-N	-1	0	258.285	0.477	20	30		CCEDRM
C[C@]1([N-]C(=O)C(F)(F)F)CCN(c2cncc(C#N)n2)C1	ZINC000866283708	645512765	/nfs/dbraw/zinc/51/27/65/645512765.db2.gz	ZVISDBJEDRNEPD-NSHDSACASA-N	-1	0	299.256	0.996	20	30		CCEDRM
C[C@@H](C(=O)[O-])C(=O)N[C@H]1Cc2ccc(C#N)cc2C1	ZINC000868466447	645773430	/nfs/dbraw/zinc/77/34/30/645773430.db2.gz	UQCDMXRSRUGUFC-PELKAZGASA-N	-1	0	258.277	0.862	20	30		CCEDRM
C[C@@H](CS(C)(=O)=O)C(=O)[N-]Oc1cccc(C#N)c1	ZINC000870693019	646017461	/nfs/dbraw/zinc/01/74/61/646017461.db2.gz	VOTPFWCZIMSLBN-VIFPVBQESA-N	-1	0	282.321	0.649	20	30		CCEDRM
Cc1cc(F)c(S(=O)(=O)N2CC(C#N)C2)cc1C(=O)[O-]	ZINC000871967109	646200387	/nfs/dbraw/zinc/20/03/87/646200387.db2.gz	AUPOJSPHFBZCAN-UHFFFAOYSA-N	-1	0	298.295	0.976	20	30		CCEDRM
CC#CCS(=O)(=O)[N-]C(=O)C1(C)CC(F)(F)C1	ZINC000873526658	646385602	/nfs/dbraw/zinc/38/56/02/646385602.db2.gz	XQQWZTFXCFIPTH-UHFFFAOYSA-N	-1	0	265.281	0.891	20	30		CCEDRM
C=CCN(CC=C)C(=O)C(=O)NC[C@H](CC)C(=O)[O-]	ZINC000927959724	648601432	/nfs/dbraw/zinc/60/14/32/648601432.db2.gz	ICCJPXSTFCGXMG-JTQLQIEISA-N	-1	0	268.313	0.414	20	30		CCEDRM
CS(=O)(=O)[N-]C(=O)CCS(=O)(=O)C1CCCC1	ZINC000048486882	649322358	/nfs/dbraw/zinc/32/23/58/649322358.db2.gz	AYTJEPWWXAUCII-UHFFFAOYSA-N	-1	0	283.371	0.650	20	30		CCEDRM
C#CCCCC(=O)[N-]S(=O)(=O)c1c(C)noc1C	ZINC000191013599	649465578	/nfs/dbraw/zinc/46/55/78/649465578.db2.gz	WJNALMWIPVWPOU-UHFFFAOYSA-N	-1	0	270.310	0.900	20	30		CCEDRM
C=C(Br)CNC(=O)[C@@H]1CC[C@H](C(=O)[O-])O1	ZINC000191184604	649469490	/nfs/dbraw/zinc/46/94/90/649469490.db2.gz	FWHVHMMZUMBFNP-NKWVEPMBSA-N	-1	0	278.102	0.643	20	30		CCEDRM
CCOCC(=O)[N-]S(=O)(=O)c1c(C)nn(C)c1C	ZINC000078776895	649495491	/nfs/dbraw/zinc/49/54/91/649495491.db2.gz	IELANBUCOGNNBJ-UHFFFAOYSA-N	-1	0	275.330	0.719	20	30		CCEDRM
COCCCNC(=O)C(C#N)=C([O-])c1cccnc1	ZINC000193358712	649534959	/nfs/dbraw/zinc/53/49/59/649534959.db2.gz	MUSGUDKKVQDJPZ-LLVKDONJSA-N	-1	0	261.281	0.557	20	30		CCEDRM
CO[C@@H](C)CC(=O)[N-]S(=O)(=O)Cc1cccc(C#N)c1	ZINC000195496964	649601963	/nfs/dbraw/zinc/60/19/63/649601963.db2.gz	YQISUPNSIOKOAK-JTQLQIEISA-N	-1	0	296.348	0.929	20	30		CCEDRM
CN1CCO[C@H](C(=O)Nc2cc(C#N)ccc2[O-])C1	ZINC000085551909	649612232	/nfs/dbraw/zinc/61/22/32/649612232.db2.gz	NTKHUMSFOUMJQB-LBPRGKRZSA-N	-1	0	261.281	0.533	20	30		CCEDRM
N#CCCN1CC(Oc2nc(Cl)[n-]c(=O)n2)C1	ZINC001230241248	805588604	/nfs/dbraw/zinc/58/86/04/805588604.db2.gz	ZDOYTVMEWWJJBF-UHFFFAOYSA-N	-1	0	255.665	0.207	20	30		CCEDRM
C=C[C@](C)(O)C(=O)N[C@@H](CCSC)c1nnn[n-]1	ZINC001167448939	791128930	/nfs/dbraw/zinc/12/89/30/791128930.db2.gz	PMWKBUOXQHHQDZ-XVKPBYJWSA-N	-1	0	271.346	0.047	20	30		CCEDRM
C=C[C@@H]1O[C@@H](Oc2n[nH]c(=O)[n-]2)[C@H]2OC(C)(C)O[C@@H]12	ZINC001231302067	805773572	/nfs/dbraw/zinc/77/35/72/805773572.db2.gz	DHMZPCPTSYRHIW-XAMCCFCMSA-N	-1	0	269.257	0.320	20	30		CCEDRM
CS(=O)(=O)N1CCN(Cc2cc(C#N)ccc2[O-])CC1	ZINC001232677100	805969931	/nfs/dbraw/zinc/96/99/31/805969931.db2.gz	ZDGIQUOHSOZAFI-UHFFFAOYSA-N	-1	0	295.364	0.341	20	30		CCEDRM
CC(C)(C#N)C(=O)Nc1ccc2c(c1)S(=O)(=O)[N-]C2=O	ZINC001143401789	791282850	/nfs/dbraw/zinc/28/28/50/791282850.db2.gz	ZIZSFGPWMFNMEN-UHFFFAOYSA-N	-1	0	293.304	0.607	20	30		CCEDRM
N#Cc1ccc2oc(OC(=O)[C@@H](O)CC(=O)[O-])nc2c1	ZINC001234456368	806248598	/nfs/dbraw/zinc/24/85/98/806248598.db2.gz	LGQQHMPDTCBXBI-QMMMGPOBSA-N	-1	0	276.204	0.440	20	30		CCEDRM
COC(=O)c1[n-]c(C)nc(=O)c1OC1=C(C)O[C@H](C)C1=O	ZINC001234564804	806273843	/nfs/dbraw/zinc/27/38/43/806273843.db2.gz	QKJLSFUOWBFWJP-RXMQYKEDSA-N	-1	0	294.263	0.875	20	30		CCEDRM
Cn1c(=O)[n-]c(NC[C@@H]2CCC=CO2)c(C#N)c1=O	ZINC001120839292	798947241	/nfs/dbraw/zinc/94/72/41/798947241.db2.gz	QHWAOBLNDCBXRJ-QMMMGPOBSA-N	-1	0	262.269	0.050	20	30		CCEDRM
C[C@@H]1[C@@H](C)[C@H](C)CN1c1[n-]c(=O)n(C)c(=O)c1C#N	ZINC001120857061	798950583	/nfs/dbraw/zinc/95/05/83/798950583.db2.gz	PIVHUNWZDAFFIS-HRDYMLBCSA-N	-1	0	262.313	0.426	20	30		CCEDRM
CCn1c(-c2c[n-]c(=O)c(C#N)c2)nnc1N(C)OC	ZINC001121787711	799069159	/nfs/dbraw/zinc/06/91/59/799069159.db2.gz	FVNKBKDMQKJZQI-UHFFFAOYSA-N	-1	0	274.284	0.935	20	30		CCEDRM
N#Cc1cc([N-]S(=O)(=O)CC[NH3+])c([O-])cc1F	ZINC001237732957	806714857	/nfs/dbraw/zinc/71/48/57/806714857.db2.gz	SPJXNWRBZAZFOK-UHFFFAOYSA-N	-1	0	259.262	0.103	20	30		CCEDRM
Cc1nc(C(=O)NCCc2n[n-]c(=S)o2)ccc1C#N	ZINC001138520028	799737484	/nfs/dbraw/zinc/73/74/84/799737484.db2.gz	VCQMPKWHLPXPTP-UHFFFAOYSA-N	-1	0	289.320	0.906	20	30		CCEDRM
N#Cc1cccc(NC(=O)C(=O)[N-]OCCC2CC2)n1	ZINC000832446831	799768103	/nfs/dbraw/zinc/76/81/03/799768103.db2.gz	NWWHLTAYMRWVHY-UHFFFAOYSA-N	-1	0	274.280	0.740	20	30		CCEDRM
CC1CC(C#N)(C(=O)N(C)Cc2nc(=O)o[n-]2)C1	ZINC001143360724	800233472	/nfs/dbraw/zinc/23/34/72/800233472.db2.gz	GGDMGUXKRZECEK-UHFFFAOYSA-N	-1	0	250.258	0.261	20	30		CCEDRM
CC[C@](C)(C#N)C(=O)NCCc1n[n-]c(=S)o1	ZINC001154907520	800866231	/nfs/dbraw/zinc/86/62/31/800866231.db2.gz	RWVBNFVIMSWCMU-SNVBAGLBSA-N	-1	0	254.315	0.957	20	30		CCEDRM
Cc1cc(C#N)c(=O)[n-]c1C(=O)NO[C@H](CO)C(C)C	ZINC001159202787	801774771	/nfs/dbraw/zinc/77/47/71/801774771.db2.gz	UCNJEEVHHDHDFR-SNVBAGLBSA-N	-1	0	279.296	0.646	20	30		CCEDRM
C#C[C@H](CO)NC(=O)c1nn(-c2ccc(F)cc2)cc1[O-]	ZINC001159762170	801865074	/nfs/dbraw/zinc/86/50/74/801865074.db2.gz	MBBDBIVMNGGMSG-SNVBAGLBSA-N	-1	0	289.266	0.441	20	30		CCEDRM
CCc1nc(C#N)c(C#N)nc1[N-]c1nccnc1CN	ZINC001160250878	801924236	/nfs/dbraw/zinc/92/42/36/801924236.db2.gz	RPDQEUJFPYUOSL-UHFFFAOYSA-N	-1	0	280.295	0.775	20	30		CCEDRM
N#Cc1ncc(NCC(=O)CCC(=O)[O-])nc1C#N	ZINC001160876751	802039524	/nfs/dbraw/zinc/03/95/24/802039524.db2.gz	OZIJCAYVEPQKSB-UHFFFAOYSA-N	-1	0	259.225	0.066	20	30		CCEDRM
N#Cc1cnn2c1ncc(C#N)c2[N-]S(=O)(=O)C1CC1	ZINC001259270619	808742709	/nfs/dbraw/zinc/74/27/09/808742709.db2.gz	BOAYOHHOPKTABL-UHFFFAOYSA-N	-1	0	288.292	0.377	20	30		CCEDRM
N#Cc1ccc(CN=c2ccc(C(N)=O)n[n-]2)cc1F	ZINC000404554868	803855972	/nfs/dbraw/zinc/85/59/72/803855972.db2.gz	ARWCUIIVNLUOMD-UHFFFAOYSA-N	-1	0	271.255	0.620	20	30		CCEDRM
C=CCOC[C@H](CS(=O)(=O)[O-])OCC(C)(C)OC	ZINC001222364814	804895762	/nfs/dbraw/zinc/89/57/62/804895762.db2.gz	XMEDXGAYFAXHFG-SNVBAGLBSA-N	-1	0	282.358	0.887	20	30		CCEDRM
C=CCOC[C@@H](CS(=O)(=O)[O-])OC[C@@H]1CCO1	ZINC001224473161	805040188	/nfs/dbraw/zinc/04/01/88/805040188.db2.gz	IASSSMBZESNBKN-UWVGGRQHSA-N	-1	0	266.315	0.251	20	30		CCEDRM
C=CCOC[C@@H](CS(=O)(=O)[O-])OCC[C@H]1CCOC1	ZINC001224704711	805071647	/nfs/dbraw/zinc/07/16/47/805071647.db2.gz	ONLPGMRBQCNCKG-NEPJUHHUSA-N	-1	0	294.369	0.889	20	30		CCEDRM
C#C[C@H](Oc1ccc(S(=O)(=O)[O-])cc1)C(=O)OCC	ZINC001225517539	805136922	/nfs/dbraw/zinc/13/69/22/805136922.db2.gz	JRGOLAQGMOXHRP-NSHDSACASA-N	-1	0	284.289	0.877	20	30		CCEDRM
C=C[C@@]1(C)CC[C@@H](C(C)(C)Oc2c([O-])c(=O)c(=O)c2=O)O1	ZINC001225829739	805166969	/nfs/dbraw/zinc/16/69/69/805166969.db2.gz	BCMRMMGVAPDUHF-AYVTZFPOSA-N	-1	0	294.303	0.630	20	30		CCEDRM
C#C[C@@H](Oc1[n-]c(=O)c(F)cc1C#N)C(=O)OCC	ZINC001226009043	805185465	/nfs/dbraw/zinc/18/54/65/805185465.db2.gz	QUZJFXMKBIAPET-SECBINFHSA-N	-1	0	264.212	0.742	20	30		CCEDRM
C=C[C@@H](Oc1[n-]c(=O)c(F)cc1C#N)C(=O)OC	ZINC001226008945	805186249	/nfs/dbraw/zinc/18/62/49/805186249.db2.gz	ORNIEYPPMDCOHM-MRVPVSSYSA-N	-1	0	252.201	0.904	20	30		CCEDRM
COC(=O)[C@@H]1C[C@@H](Oc2[n-]c(=O)cc(C)c2C#N)CN1C	ZINC001226223617	805207470	/nfs/dbraw/zinc/20/74/70/805207470.db2.gz	SPJMNEFNBHCDGB-KOLCDFICSA-N	-1	0	291.307	0.592	20	30		CCEDRM
C#C[C@H](CCC)Oc1[n-]c(=O)nc2c(=O)[n-]c(=O)[nH]c21	ZINC001226886290	805290467	/nfs/dbraw/zinc/29/04/67/805290467.db2.gz	MRVZFUODSWOMES-ZCFIWIBFSA-N	-1	0	276.252	0.717	20	30		CCEDRM
C#C[C@H]1CCC[C@H]1Oc1[n-]c(=O)nc2c(=O)[n-]c(=O)[nH]c12	ZINC001226886840	805291664	/nfs/dbraw/zinc/29/16/64/805291664.db2.gz	UNUVKRKMELRYHR-NKWVEPMBSA-N	-1	0	288.263	0.717	20	30		CCEDRM
COc1nc(OC2=C(C)O[C@@H](C)C2=O)cc(=O)[n-]1	ZINC001227001107	805307749	/nfs/dbraw/zinc/30/77/49/805307749.db2.gz	XSSIDFDLKVSLDY-YFKPBYRVSA-N	-1	0	252.226	0.789	20	30		CCEDRM
C#CCCCC(=O)NC1CCN(Cc2n[nH]c(=O)[n-]2)CC1	ZINC001227084636	805321878	/nfs/dbraw/zinc/32/18/78/805321878.db2.gz	BQMSAXMAZLWMMW-UHFFFAOYSA-N	-1	0	291.355	0.394	20	30		CCEDRM
C=C[C@@H](Oc1[n-]c(=O)nc2ncsc21)C(=O)OC	ZINC001227609100	805368954	/nfs/dbraw/zinc/36/89/54/805368954.db2.gz	FONREPDTRPFCOM-RXMQYKEDSA-N	-1	0	267.266	0.898	20	30		CCEDRM
COC(=O)c1cc(=O)c(O[C@H]2CCN(CC#N)C2)c[n-]1	ZINC001227785573	805389838	/nfs/dbraw/zinc/38/98/38/805389838.db2.gz	IMSJCONQHBJAPI-VIFPVBQESA-N	-1	0	277.280	0.138	20	30		CCEDRM
CC[C@@H](C#CC(=O)OC)Oc1[n-]c(=O)nc2ncn(C)c21	ZINC001228675412	805468049	/nfs/dbraw/zinc/46/80/49/805468049.db2.gz	UBYTWKBVRNLKPS-QMMMGPOBSA-N	-1	0	290.279	0.403	20	30		CCEDRM
C=C1O[C@H](C)C(=O)C1Oc1[n-]c(=O)nc2ncn(C)c21	ZINC001228676544	805468077	/nfs/dbraw/zinc/46/80/77/805468077.db2.gz	JHORMRGMMPJRDA-RXMQYKEDSA-N	-1	0	276.252	0.667	20	30		CCEDRM
N#Cc1cccc(OC(=O)[C@H](O)CC(=O)[O-])c1Cl	ZINC001229067944	805499735	/nfs/dbraw/zinc/49/97/35/805499735.db2.gz	SIVJSXGFWVSGBG-SSDOTTSWSA-N	-1	0	269.640	0.953	20	30		CCEDRM
Cc1nc(O[C@H]2C=CC(=O)C2)c([N+](=O)[O-])c(=O)[n-]1	ZINC001229379212	805526888	/nfs/dbraw/zinc/52/68/88/805526888.db2.gz	SLPMQTCLTGCGLU-ZETCQYMHSA-N	-1	0	251.198	0.675	20	30		CCEDRM
C=CCOc1ccccc1OC(=O)[C@@H](O)CC(=O)[O-]	ZINC001229614641	805545287	/nfs/dbraw/zinc/54/52/87/805545287.db2.gz	VJWJMXLOEZNWEG-VIFPVBQESA-N	-1	0	266.249	0.992	20	30		CCEDRM
C=CC[C@@](C)([N-]S(=O)(=O)C(F)(F)F)C(=O)OC	ZINC001252406556	807822023	/nfs/dbraw/zinc/82/20/23/807822023.db2.gz	JAOGBTKXXYCUTH-SSDOTTSWSA-N	-1	0	275.248	0.933	20	30		CCEDRM
Cc1nnc([S-])n(N=Cc2ccc(F)nc2)c1=O	ZINC001255262297	808334259	/nfs/dbraw/zinc/33/42/59/808334259.db2.gz	PPNZCUJAGGQAEQ-UHFFFAOYSA-N	-1	0	265.273	0.652	20	30		CCEDRM
C=CCOC[C@H](CS(=O)(=O)[O-])OC/C=C/C(=O)OC	ZINC001224492876	815215057	/nfs/dbraw/zinc/21/50/57/815215057.db2.gz	QCEJWEWVVURBLJ-ORAHPGNNSA-N	-1	0	294.325	0.191	20	30		CCEDRM
Cc1[nH]c(C=NNCCCN2CCOCC2)cc1C(=O)[O-]	ZINC001256625171	808541835	/nfs/dbraw/zinc/54/18/35/808541835.db2.gz	CZZSUWSEIQBBIW-UHFFFAOYSA-N	-1	0	294.355	0.667	20	30		CCEDRM
C#Cc1cccnc1[N-]S(=O)(=O)c1cn(C)cn1	ZINC001258993036	808708716	/nfs/dbraw/zinc/70/87/16/808708716.db2.gz	SKQHHSPOIRSNHH-UHFFFAOYSA-N	-1	0	262.294	0.597	20	30		CCEDRM
Cc1coc([N-]S(=O)(=O)c2cn(C)cn2)c1C#N	ZINC001258994090	808710041	/nfs/dbraw/zinc/71/00/41/808710041.db2.gz	MRVIZUCVNJHLHF-UHFFFAOYSA-N	-1	0	266.282	0.994	20	30		CCEDRM
CCOC(=O)[C@H](C#N)[N-]S(=O)(=O)CC1CCCCC1	ZINC001259622117	808766295	/nfs/dbraw/zinc/76/62/95/808766295.db2.gz	RQVHNOLGJDNYKT-NSHDSACASA-N	-1	0	288.369	0.941	20	30		CCEDRM
C#CC1(NS(=O)(=O)c2cccc(C(=O)[O-])c2)CC1	ZINC001260193651	808855624	/nfs/dbraw/zinc/85/56/24/808855624.db2.gz	PBKIJYUSMSCRTJ-UHFFFAOYSA-N	-1	0	265.290	0.829	20	30		CCEDRM
Cc1nc(S(=O)(=O)[N-]c2cc(C#N)ccn2)cn1C	ZINC001260541704	808861692	/nfs/dbraw/zinc/86/16/92/808861692.db2.gz	LNFNZSLYMUOJRS-UHFFFAOYSA-N	-1	0	277.309	0.796	20	30		CCEDRM
Cc1nc(S(=O)(=O)[N-]c2cnc(C#N)nc2)cn1C	ZINC001260542683	808862560	/nfs/dbraw/zinc/86/25/60/808862560.db2.gz	KUXGNJFGXZLOMQ-UHFFFAOYSA-N	-1	0	278.297	0.191	20	30		CCEDRM
N#C[C@H]([N-]S(=O)(=O)Cc1ccccc1Cl)C(N)=O	ZINC001260697466	808876336	/nfs/dbraw/zinc/87/63/36/808876336.db2.gz	GCNOPPQKEORPTH-VIFPVBQESA-N	-1	0	287.728	0.137	20	30		CCEDRM
C=C[C@@H](C)O[N-]C(=O)C(=O)Nc1cc(C)n(CCC#N)n1	ZINC001261515034	809005493	/nfs/dbraw/zinc/00/54/93/809005493.db2.gz	UYPNWAUBJGNBAZ-SNVBAGLBSA-N	-1	0	291.311	0.666	20	30		CCEDRM
C#Cc1cncc(C(=O)N2CC([C@@H](F)C(=O)[O-])C2)c1	ZINC001262178047	809224162	/nfs/dbraw/zinc/22/41/62/809224162.db2.gz	OTJWNMRIHONHMO-LLVKDONJSA-N	-1	0	262.240	0.558	20	30		CCEDRM
C=C[C@@H](O)C(=O)N[C@@H]1CCOC2(CC(C(=O)[O-])C2)C1	ZINC001262179440	809225456	/nfs/dbraw/zinc/22/54/56/809225456.db2.gz	PAXQBTZFVBCACQ-LIVJGEBJSA-N	-1	0	269.297	0.062	20	30		CCEDRM
C=CC[C@H](NC(=O)N[C@@H](COC)[C@H]1CCCO1)C(=O)[O-]	ZINC001262210003	809244520	/nfs/dbraw/zinc/24/45/20/809244520.db2.gz	ISAJIERXHWUBDO-GARJFASQSA-N	-1	0	286.328	0.509	20	30		CCEDRM
C=CCn1c(Cc2nn[nH]n2)nnc1N1CCC[C@@H]1CC	ZINC001262953249	809424627	/nfs/dbraw/zinc/42/46/27/809424627.db2.gz	NIZZMNVDPNTPPD-JTQLQIEISA-N	-1	0	288.359	0.947	20	30		CCEDRM
CNC(=O)C(C#N)=C([O-])c1cnc(COC)s1	ZINC001263294451	809504269	/nfs/dbraw/zinc/50/42/69/809504269.db2.gz	XWXHBFCEZCVAEU-ZCFIWIBFSA-N	-1	0	253.283	0.358	20	30		CCEDRM
N#Cc1ccc(CCOC(=O)[C@H](O)CC(=O)[O-])cc1	ZINC001224654380	815409580	/nfs/dbraw/zinc/40/95/80/815409580.db2.gz	RMHVPKRZOFUAKV-LLVKDONJSA-N	-1	0	263.249	0.480	20	30		CCEDRM
C=CCOC[C@@H](CS(=O)(=O)[O-])OCc1ccno1	ZINC001222730733	811984215	/nfs/dbraw/zinc/98/42/15/811984215.db2.gz	SXPYTMPYLYIZTJ-JTQLQIEISA-N	-1	0	277.298	0.650	20	30		CCEDRM
N#CC(C(=O)NC1CC1)=C([O-])c1cccc(-n2cnnn2)c1	ZINC000129186517	815554782	/nfs/dbraw/zinc/55/47/82/815554782.db2.gz	PCJPQTISTVBDIG-LBPRGKRZSA-N	-1	0	296.290	0.263	20	30		CCEDRM
N#CCN1CC[C@H](Oc2ccc(S(=O)(=O)[O-])cc2)C1	ZINC001225513383	812949855	/nfs/dbraw/zinc/94/98/55/812949855.db2.gz	HGLPKKBXAXULQE-NSHDSACASA-N	-1	0	282.321	0.910	20	30		CCEDRM
CCOC(=O)[C@H](C#C[Si](C)(C)C)Oc1nncc(=O)[n-]1	ZINC001226167594	813904749	/nfs/dbraw/zinc/90/47/49/813904749.db2.gz	HCNNWXXAHSFPRX-VIFPVBQESA-N	-1	0	295.371	0.769	20	30		CCEDRM
C=CCCN1CC(NC(=O)c2c[n-]n3c2nccc3=O)C1	ZINC001031067717	816622211	/nfs/dbraw/zinc/62/22/11/816622211.db2.gz	BTGNZBLACKNPTN-UHFFFAOYSA-N	-1	0	287.323	0.013	20	30		CCEDRM
N#CCCNS(=O)(=O)c1cc(C(=O)[O-])cc([N+](=O)[O-])c1	ZINC000447149371	817519328	/nfs/dbraw/zinc/51/93/28/817519328.db2.gz	VOBAUMZSUYJZOG-UHFFFAOYSA-N	-1	0	299.264	0.485	20	30		CCEDRM
CNC(=O)C(C#N)=C([O-])c1ccc(C(=O)OC)cc1	ZINC000133233668	818674380	/nfs/dbraw/zinc/67/43/80/818674380.db2.gz	JHLIWNRQTKYXPW-JTQLQIEISA-N	-1	0	260.249	0.542	20	30		CCEDRM
CNC(=O)C(C#N)=C([O-])c1cnn(Cc2ccccc2)c1	ZINC000133320767	818677145	/nfs/dbraw/zinc/67/71/45/818677145.db2.gz	YSFRHKKCCASHQS-ZDUSSCGKSA-N	-1	0	282.303	1.000	20	30		CCEDRM
C#CCCN(CCOC)S(=O)(=O)c1ncc[n-]1	ZINC000697588546	820201697	/nfs/dbraw/zinc/20/16/97/820201697.db2.gz	PYUWQMYSZVTREB-UHFFFAOYSA-N	-1	0	257.315	0.070	20	30		CCEDRM
C=C[C@H]1CCCCN1Cc1cn(CC(=O)[O-])nn1	ZINC001119607258	821392454	/nfs/dbraw/zinc/39/24/54/821392454.db2.gz	VPXNPFPBUNYSFZ-NSHDSACASA-N	-1	0	250.302	0.903	20	30		CCEDRM
CN(CCNC(=O)c1ccccc1O)c1ccnc(C#N)n1	ZINC001099980997	821722236	/nfs/dbraw/zinc/72/22/36/821722236.db2.gz	MRAKSXACOHRPKU-UHFFFAOYSA-N	-1	0	297.318	0.920	20	30		CCEDRM
N#CC1(CS(=O)(=O)[N-]C(=O)CCc2ccccn2)CC1	ZINC000793203573	837407574	/nfs/dbraw/zinc/40/75/74/837407574.db2.gz	DPGQMOMYEZDZSI-UHFFFAOYSA-N	-1	0	293.348	0.764	20	30		CCEDRM
N#C[C@@H](Cc1ccc(O)cc1)C(=O)NCc1n[nH]c(=O)[n-]1	ZINC001183613388	844056862	/nfs/dbraw/zinc/05/68/62/844056862.db2.gz	NKYLCGUGTVQHER-SECBINFHSA-N	-1	0	287.279	0.215	20	30		CCEDRM
O=C(CCC(=O)N1CCCNC(=O)C1)C1=CC=C[CH]1	ZINC001184243779	844187680	/nfs/dbraw/zinc/18/76/80/844187680.db2.gz	DFOSOPFYDYZAMW-UHFFFAOYSA-N	-1	0	261.301	0.385	20	30		CCEDRM
CC(=O)[N-]S(=O)(=O)c1ccc(N(C)[C@H](C)C#N)nc1	ZINC001157490216	837046606	/nfs/dbraw/zinc/04/66/06/837046606.db2.gz	GFTHBTOVHDYSHY-MRVPVSSYSA-N	-1	0	282.325	0.255	20	30		CCEDRM
C[C@H](NC(=O)c1cn[nH]n1)[C@H](C)Nc1cncc(C#N)n1	ZINC001113356507	837095198	/nfs/dbraw/zinc/09/51/98/837095198.db2.gz	IKRYGZLKNQBCRQ-YUMQZZPRSA-N	-1	0	286.299	0.085	20	30		CCEDRM
CCOC(=O)[C@H](C#N)Nc1cncc(C(=O)[O-])n1	ZINC001170365640	837310411	/nfs/dbraw/zinc/31/04/11/837310411.db2.gz	AVGNZWPZHRLKGG-LURJTMIESA-N	-1	0	250.214	0.042	20	30		CCEDRM
C#CC[N-]S(=O)(=O)c1nc(C)c(C(=O)OCC)s1	ZINC001184976205	844317483	/nfs/dbraw/zinc/31/74/83/844317483.db2.gz	FZPKUDZCWYKFBB-UHFFFAOYSA-N	-1	0	288.350	0.540	20	30		CCEDRM
C=CC[C@@H](Nc1nccnc1CC(=O)[O-])C(=O)OC	ZINC001158862434	838630921	/nfs/dbraw/zinc/63/09/21/838630921.db2.gz	ZWXYQULEMSWVGF-MRVPVSSYSA-N	-1	0	265.269	0.633	20	30		CCEDRM
Cc1onc(N)c1S(=O)(=O)[N-]C(=O)CCCC#N	ZINC000813096653	838676163	/nfs/dbraw/zinc/67/61/63/838676163.db2.gz	RXXIAVOOJUPVHC-UHFFFAOYSA-N	-1	0	272.286	0.064	20	30		CCEDRM
COc1ccc(S(=O)(=O)N[C@@H](C)C#N)cc1C(=O)[O-]	ZINC001185331483	844404614	/nfs/dbraw/zinc/40/46/14/844404614.db2.gz	HRHYDXGUFIBYCO-ZETCQYMHSA-N	-1	0	284.293	0.584	20	30		CCEDRM
O=S(=O)(NCCCS)c1ccc(-c2nn[nH]n2)cc1	ZINC001185627500	844438767	/nfs/dbraw/zinc/43/87/67/844438767.db2.gz	AMVCZUFSOHIYDZ-UHFFFAOYSA-N	-1	0	299.381	0.465	20	30		CCEDRM
C=CCCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2Cc1n[nH]c(=O)[n-]1	ZINC001110378689	844533502	/nfs/dbraw/zinc/53/35/02/844533502.db2.gz	BUUPNZFPOUEIOF-MXWKQRLJSA-N	-1	0	291.355	0.698	20	30		CCEDRM
Cn1cc(NC(=O)c2cccc(O)c2[O-])c(C#N)n1	ZINC001148211949	840762563	/nfs/dbraw/zinc/76/25/63/840762563.db2.gz	DUISFJLSSDKDCM-UHFFFAOYSA-N	-1	0	258.237	0.955	20	30		CCEDRM
C[C@@H](C#N)c1cccc(C(=O)NCc2nnn[n-]2)c1	ZINC001148622710	840868443	/nfs/dbraw/zinc/86/84/43/840868443.db2.gz	OJZVBPPUELUUNO-QMMMGPOBSA-N	-1	0	256.269	0.757	20	30		CCEDRM
CN(C)c1nc(NC(=O)[C@@H]2C[C@@H]2C#N)c(N=O)c(=O)[n-]1	ZINC001186969480	844628490	/nfs/dbraw/zinc/62/84/90/844628490.db2.gz	IJVDBVPBFIBPFJ-PHDIDXHHSA-N	-1	0	276.256	0.744	20	30		CCEDRM
COc1cc(-n2nc(N)c(C#N)c2N)ccc1C(=O)[O-]	ZINC001174684789	842201385	/nfs/dbraw/zinc/20/13/85/842201385.db2.gz	ZWOCFTXTUAXBGV-UHFFFAOYSA-N	-1	0	273.252	0.615	20	30		CCEDRM
Cc1cc(C#N)c(NC(=O)Cn2nn[n-]c2=S)s1	ZINC001177735170	842661958	/nfs/dbraw/zinc/66/19/58/842661958.db2.gz	AMSHPTVEUGIMQI-UHFFFAOYSA-N	-1	0	280.338	0.842	20	30		CCEDRM
CC(C)C[C@@H](C#N)NC(=O)Cn1nn[n-]c1=S	ZINC001177744155	842666812	/nfs/dbraw/zinc/66/68/12/842666812.db2.gz	VPLZVEZTPJOJOB-ZETCQYMHSA-N	-1	0	254.319	0.016	20	30		CCEDRM
CC#CCCCC(=O)N[C@H](COC)c1nnn[n-]1	ZINC001177827385	842672032	/nfs/dbraw/zinc/67/20/32/842672032.db2.gz	FZNFOYJYKANSKA-SECBINFHSA-N	-1	0	251.290	0.197	20	30		CCEDRM
CN1CCN(CC(=O)Nc2cc(C#N)c(F)cc2[O-])CC1	ZINC001178952874	842948000	/nfs/dbraw/zinc/94/80/00/842948000.db2.gz	VUVZBNIXLGFTLU-UHFFFAOYSA-N	-1	0	292.314	0.589	20	30		CCEDRM
CC#CC(=O)Nc1nc[n-]c(=O)c1Br	ZINC001179748400	843044406	/nfs/dbraw/zinc/04/44/06/843044406.db2.gz	OPXSKKMUNBFGHL-UHFFFAOYSA-N	-1	0	256.059	0.907	20	30		CCEDRM
C[C@@H](C#N)N(C)C(=O)C(F)(F)C(F)(F)C(=O)[O-]	ZINC001180173597	843108608	/nfs/dbraw/zinc/10/86/08/843108608.db2.gz	KFCWYPPGRKMQAY-BYPYZUCNSA-N	-1	0	256.155	0.712	20	30		CCEDRM
N#C[C@@H]1CN(C(=O)C(F)(F)C(F)(F)C(=O)[O-])CCO1	ZINC001180175426	843110066	/nfs/dbraw/zinc/11/00/66/843110066.db2.gz	ZLKKOBNERCTLLC-RXMQYKEDSA-N	-1	0	284.165	0.093	20	30		CCEDRM
CCOC(=O)[C@H](C#N)NC(=O)C1(C(=O)[O-])CCCCC1	ZINC001180440365	843168382	/nfs/dbraw/zinc/16/83/82/843168382.db2.gz	OFAPDGWJGVAFEW-VIFPVBQESA-N	-1	0	282.296	0.593	20	30		CCEDRM
N#Cc1ccccc1CC(=O)NCS(=O)(=O)[O-]	ZINC001181803760	843619899	/nfs/dbraw/zinc/61/98/99/843619899.db2.gz	CZHRWTLZBGXYHO-UHFFFAOYSA-N	-1	0	254.267	0.062	20	30		CCEDRM
N#Cc1cccc(CCC(=O)N[C@@H]2SC(=O)[N-]C2=O)c1	ZINC001182341712	843774961	/nfs/dbraw/zinc/77/49/61/843774961.db2.gz	VNSJAIPTJZCCHK-GFCCVEGCSA-N	-1	0	289.316	0.916	20	30		CCEDRM
CN1C[C@@H](C(=O)Nc2cc(C#N)c(F)cc2[O-])NC1=O	ZINC001183074329	843959783	/nfs/dbraw/zinc/95/97/83/843959783.db2.gz	QSERRXHWMJQXQR-VIFPVBQESA-N	-1	0	278.243	0.365	20	30		CCEDRM
Cc1oncc1S(=O)(=O)[N-]c1ncc(C#N)nc1C	ZINC001187335363	844697932	/nfs/dbraw/zinc/69/79/32/844697932.db2.gz	YEPJSSINYMASNS-UHFFFAOYSA-N	-1	0	279.281	0.754	20	30		CCEDRM
Cn1cc([N-]S(=O)(=O)c2ncc(F)cc2F)c(C#N)n1	ZINC001190143206	845330207	/nfs/dbraw/zinc/33/02/07/845330207.db2.gz	ODEHXJGITNEJKB-UHFFFAOYSA-N	-1	0	299.262	0.766	20	30		CCEDRM
Cn1ncc([N-]S(=O)(=O)c2cc(C#N)ccc2F)n1	ZINC001190617479	845436005	/nfs/dbraw/zinc/43/60/05/845436005.db2.gz	KRJYGFWSEMZKBZ-UHFFFAOYSA-N	-1	0	281.272	0.627	20	30		CCEDRM
C[C@@H](CO)NS(=O)(=O)c1cc(C#N)ccc1F	ZINC001190608516	845444093	/nfs/dbraw/zinc/44/40/93/845444093.db2.gz	TVHGQCPAAIGVPK-ZETCQYMHSA-N	-1	0	258.274	0.356	20	30		CCEDRM
Cc1coc([N-]S(=O)(=O)c2ncc[nH]2)c1C#N	ZINC001190694612	845470343	/nfs/dbraw/zinc/47/03/43/845470343.db2.gz	SUMIWPYPBNRXOY-UHFFFAOYSA-N	-1	0	252.255	0.984	20	30		CCEDRM
Cn1ncc(C#N)c1[N-]S(=O)(=O)c1ccncc1	ZINC001190854872	845523228	/nfs/dbraw/zinc/52/32/28/845523228.db2.gz	YGZVOODEKDAHTC-UHFFFAOYSA-N	-1	0	263.282	0.488	20	30		CCEDRM
CN(CC#N)S(=O)(=O)c1ccc(OCC(=O)[O-])cc1	ZINC001192702162	845895920	/nfs/dbraw/zinc/89/59/20/845895920.db2.gz	DXOUVRQMJJRRFM-UHFFFAOYSA-N	-1	0	284.293	0.294	20	30		CCEDRM
C[C@@H](C#N)NS(=O)(=O)c1ccc(OCC(=O)[O-])cc1	ZINC001192750966	845909820	/nfs/dbraw/zinc/90/98/20/845909820.db2.gz	JZHVEICWXIJLSP-QMMMGPOBSA-N	-1	0	284.293	0.340	20	30		CCEDRM
CN1CCN(c2cccnc2[N-]S(=O)(=O)CC#N)CC1	ZINC001192952088	845933842	/nfs/dbraw/zinc/93/38/42/845933842.db2.gz	WWMPZSKHVWMECI-UHFFFAOYSA-N	-1	0	295.368	0.099	20	30		CCEDRM
CCOC(=O)c1ncccc1[N-]S(=O)(=O)CC#N	ZINC001192938263	845942110	/nfs/dbraw/zinc/94/21/10/845942110.db2.gz	BCXYBMBKGHYDNG-UHFFFAOYSA-N	-1	0	269.282	0.524	20	30		CCEDRM
N#CCS(=O)(=O)NCc1nnc(-c2ccccc2)o1	ZINC001192987715	845947076	/nfs/dbraw/zinc/94/70/76/845947076.db2.gz	FYFWJKAJXQFISG-UHFFFAOYSA-N	-1	0	278.293	0.680	20	30		CCEDRM
Cc1ccc(S(C)(=O)=O)cc1[N-]S(=O)(=O)CC#N	ZINC001192979107	845961389	/nfs/dbraw/zinc/96/13/89/845961389.db2.gz	YSLSJJZBKVTOFB-UHFFFAOYSA-N	-1	0	288.350	0.664	20	30		CCEDRM
CCOC(=O)C(C)(C)S(=O)(=O)[N-]c1cnc(C#N)nc1	ZINC001193017380	845969139	/nfs/dbraw/zinc/96/91/39/845969139.db2.gz	XAFSTKBEHGBMNA-UHFFFAOYSA-N	-1	0	298.324	0.432	20	30		CCEDRM
Cc1nnc2ccc([N-]S(=O)(=O)[C@H](C)C#N)cn12	ZINC001193111431	845981152	/nfs/dbraw/zinc/98/11/52/845981152.db2.gz	GVAIHEVHILTWPH-SSDOTTSWSA-N	-1	0	265.298	0.692	20	30		CCEDRM
COc1ccc(CO)c([N-]S(=O)(=O)[C@@H](C)C#N)c1	ZINC001193149424	846006168	/nfs/dbraw/zinc/00/61/68/846006168.db2.gz	OFRZEQGPMPYYDV-QMMMGPOBSA-N	-1	0	270.310	0.841	20	30		CCEDRM
C[C@H](C#N)S(=O)(=O)[N-]c1cc(F)ccc1C(N)=O	ZINC001193151921	846006688	/nfs/dbraw/zinc/00/66/88/846006688.db2.gz	WSJIYFAOGRRFGN-ZCFIWIBFSA-N	-1	0	271.273	0.578	20	30		CCEDRM
C[C@@H](C#N)S(=O)(=O)[N-]c1cccc2c1CN(C)C2=O	ZINC001193160289	846009631	/nfs/dbraw/zinc/00/96/31/846009631.db2.gz	BMPLBEHZMHWJEV-QMMMGPOBSA-N	-1	0	279.321	0.926	20	30		CCEDRM
COC(=O)[C@H]([N-]S(=O)(=O)[C@H](C)C#N)c1ccncc1	ZINC001193182596	846026266	/nfs/dbraw/zinc/02/62/66/846026266.db2.gz	OYTRXRVHILVMTQ-PSASIEDQSA-N	-1	0	283.309	0.127	20	30		CCEDRM
N#Cc1cc(C(=O)N2CCn3cnnc3C2)ccc1[O-]	ZINC001193494364	846093978	/nfs/dbraw/zinc/09/39/78/846093978.db2.gz	KSNXNEWZQVYCKP-UHFFFAOYSA-N	-1	0	269.264	0.511	20	30		CCEDRM
N#Cc1cc(C(=O)N2CC(=O)N(C3CC3)C(=O)C2)ccc1[O-]	ZINC001193505103	846101040	/nfs/dbraw/zinc/10/10/40/846101040.db2.gz	CVMRTVXBJAOPSG-UHFFFAOYSA-N	-1	0	299.286	0.237	20	30		CCEDRM
CN(C)C(=O)CN(C)C(=O)c1cccc(C#N)c1[O-]	ZINC001193643943	846135336	/nfs/dbraw/zinc/13/53/36/846135336.db2.gz	IGDRYJWTZGJUMC-UHFFFAOYSA-N	-1	0	261.281	0.424	20	30		CCEDRM
N#Cc1cccc(C(=O)N2CC[C@@H](C(N)=O)C2)c1[O-]	ZINC001193644367	846135820	/nfs/dbraw/zinc/13/58/20/846135820.db2.gz	VXWKJYJYZWEFIV-SECBINFHSA-N	-1	0	259.265	0.211	20	30		CCEDRM
COC(=O)n1ncc(C#N)c1NC(=O)c1cc(=O)n(C)[n-]1	ZINC001194212282	846241731	/nfs/dbraw/zinc/24/17/31/846241731.db2.gz	OQGSQOVJBOXOKA-UHFFFAOYSA-N	-1	0	290.239	0.061	20	30		CCEDRM
COc1ncccc1S(=O)(=O)[N-]c1ccnc(C#N)c1	ZINC001194675900	846355263	/nfs/dbraw/zinc/35/52/63/846355263.db2.gz	AAUATPSSELXXNN-UHFFFAOYSA-N	-1	0	290.304	0.580	20	30		CCEDRM
COc1ncccc1S(=O)(=O)[N-]c1c(C#N)ncn1C	ZINC001194678867	846356563	/nfs/dbraw/zinc/35/65/63/846356563.db2.gz	GTHZPXKEODDUPR-UHFFFAOYSA-N	-1	0	293.308	0.496	20	30		CCEDRM
C[C@H]1CN(O)C(=O)[C@H]1NS(=O)(=O)CC[Si](C)(C)C	ZINC001195094242	846458939	/nfs/dbraw/zinc/45/89/39/846458939.db2.gz	KSLLSGOTENVRHH-IUCAKERBSA-N	-1	0	294.449	0.480	20	30		CCEDRM
Cc1cc(C#N)cc(C(=O)NCS(=O)(=O)[O-])c1	ZINC001195429934	846540972	/nfs/dbraw/zinc/54/09/72/846540972.db2.gz	VFUXQOAUZCWZFX-UHFFFAOYSA-N	-1	0	254.267	0.442	20	30		CCEDRM
COc1ccc(S(=O)(=O)[N-]c2ccnc(C#N)c2)cn1	ZINC001195684555	846598369	/nfs/dbraw/zinc/59/83/69/846598369.db2.gz	KTHUXBJQZHWBSR-UHFFFAOYSA-N	-1	0	290.304	0.580	20	30		CCEDRM
N#Cc1ccc(C(=O)NCc2ccncn2)c([O-])c1	ZINC001195763805	846611545	/nfs/dbraw/zinc/61/15/45/846611545.db2.gz	CTKQAWKNIOJUIM-UHFFFAOYSA-N	-1	0	254.249	0.984	20	30		CCEDRM
CCOC(=O)CS(=O)(=O)[N-]c1cc(C#N)ccn1	ZINC001195930542	846652155	/nfs/dbraw/zinc/65/21/55/846652155.db2.gz	ICCONLBESZMGQR-UHFFFAOYSA-N	-1	0	269.282	0.258	20	30		CCEDRM
C#Cc1nccnc1[N-]S(=O)(=O)CCCCC(=O)OC	ZINC001196914313	846818085	/nfs/dbraw/zinc/81/80/85/846818085.db2.gz	BONBGSFSTYTWBT-UHFFFAOYSA-N	-1	0	297.336	0.543	20	30		CCEDRM
COC(=O)CNC(=S)Nc1ccc(O)c(C#N)c1	ZINC001197194393	846869281	/nfs/dbraw/zinc/86/92/81/846869281.db2.gz	MSYWEXOQFPLEDI-UHFFFAOYSA-N	-1	0	265.294	0.723	20	30		CCEDRM
CCc1cc(C(=O)N=c2nn[n-]n2C)ccc1C#N	ZINC001197260859	846887753	/nfs/dbraw/zinc/88/77/53/846887753.db2.gz	FMYKVJXIGYNIHJ-UHFFFAOYSA-N	-1	0	256.269	0.318	20	30		CCEDRM
C#Cc1cccnc1[N-]S(=O)(=O)CCCC(=O)OC	ZINC001201903833	847831518	/nfs/dbraw/zinc/83/15/18/847831518.db2.gz	IVPQXNYMRJQHPZ-UHFFFAOYSA-N	-1	0	282.321	0.758	20	30		CCEDRM
C=C(C)C(=O)NCCC[N-]S(=O)(=O)C(F)(F)F	ZINC001252372773	847932735	/nfs/dbraw/zinc/93/27/35/847932735.db2.gz	XNWRJSQPDCBQIL-UHFFFAOYSA-N	-1	0	274.264	0.508	20	30		CCEDRM
C#CCN1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1[nH]nc(C)c1[O-])C2	ZINC001095321673	848039538	/nfs/dbraw/zinc/03/95/38/848039538.db2.gz	JAPSQSNFUBKAIH-VWYCJHECSA-N	-1	0	274.324	0.392	20	30		CCEDRM
C#CC[N@@H+](C)CCCNC(=O)N[C@@H](C(=O)[O-])C(C)C	ZINC000380837018	849693850	/nfs/dbraw/zinc/69/38/50/849693850.db2.gz	MMTXYRRLSMHVDW-LLVKDONJSA-N	-1	0	269.345	0.350	20	30		CCEDRM
C#CC[C@@H](NC(=O)c1ccc2c(c1)CCO2)C(=O)[O-]	ZINC000149890411	854006371	/nfs/dbraw/zinc/00/63/71/854006371.db2.gz	VXCDIOYTVAEQRP-LLVKDONJSA-N	-1	0	259.261	0.828	20	30		CCEDRM
Cc1n[nH]c(C(=O)N[C@H]2CC[C@@H](C)N(CC#N)C2)c1[O-]	ZINC001071441012	854197430	/nfs/dbraw/zinc/19/74/30/854197430.db2.gz	VJVIDMDVXXTGPL-SCZZXKLOSA-N	-1	0	277.328	0.530	20	30		CCEDRM
C=CCN(CC(=O)[O-])C(=O)NCCO[C@H]1CC1(F)F	ZINC000690691940	855581032	/nfs/dbraw/zinc/58/10/32/855581032.db2.gz	YJXCZDDHCVSHSI-QMMMGPOBSA-N	-1	0	278.255	0.693	20	30		CCEDRM
C#CCC(C)(C)C(=O)[N-]S(=O)(=O)N(CC)CC	ZINC001117640982	856032961	/nfs/dbraw/zinc/03/29/61/856032961.db2.gz	HAXFSGZBYVKFCC-UHFFFAOYSA-N	-1	0	260.359	0.739	20	30		CCEDRM
C#CCO[N-]C(=O)c1cc2c([nH]c1=O)CCCC2=O	ZINC001118727786	856415195	/nfs/dbraw/zinc/41/51/95/856415195.db2.gz	QXMXORLAABZLDB-UHFFFAOYSA-N	-1	0	260.249	0.601	20	30		CCEDRM
C=CCO[C@@H]1CCN(C(=O)Cn2cc(C(=O)[O-])cn2)C1	ZINC001118973006	856514509	/nfs/dbraw/zinc/51/45/09/856514509.db2.gz	OPIXUABVCXRZNB-LLVKDONJSA-N	-1	0	279.296	0.385	20	30		CCEDRM
C#CCSCC(=O)[N-]S(=O)(=O)CC1(C#N)CCC1	ZINC001119488263	856703325	/nfs/dbraw/zinc/70/33/25/856703325.db2.gz	PPMMEGQQIFPBIN-UHFFFAOYSA-N	-1	0	286.378	0.493	20	30		CCEDRM
C=CCC[C@H](NC(=O)CCN1CC[NH+](CC)CC1)C(=O)[O-]	ZINC001119580288	856752458	/nfs/dbraw/zinc/75/24/58/856752458.db2.gz	KNFQNDRQRZVDAZ-ZDUSSCGKSA-N	-1	0	297.399	0.550	20	30		CCEDRM
C=C[C@H](CCC(=O)[O-])NCc1nnn(C(C)(C)C)n1	ZINC001119611817	856778106	/nfs/dbraw/zinc/77/81/06/856778106.db2.gz	MKCLQKBANKYOOO-SECBINFHSA-N	-1	0	267.333	0.937	20	30		CCEDRM
CC#CCN(C)C(=O)C(=O)N1CCC[C@](CC)(C(=O)[O-])C1	ZINC001119704471	856846704	/nfs/dbraw/zinc/84/67/04/856846704.db2.gz	GFNKNPSNJFOQED-HNNXBMFYSA-N	-1	0	294.351	0.572	20	30		CCEDRM
N#CCCN(CCC#N)C(=O)CCCn1c(=O)[n-][nH]c1=O	ZINC001361839947	893460061	/nfs/dbraw/zinc/46/00/61/893460061.db2.gz	AAZKMLJDZSMVFI-UHFFFAOYSA-N	-1	0	292.299	0.125	20	30		CCEDRM
CCOCCCNC(=O)C(C#N)=C([O-])c1cccnn1	ZINC001356131983	894146620	/nfs/dbraw/zinc/14/66/20/894146620.db2.gz	UBIDAEYMBUGSKX-SNVBAGLBSA-N	-1	0	276.296	0.342	20	30		CCEDRM
C=CC[C@H](NC(=O)N[C@@H]1C[C@H]2CC[C@@H]1O2)C(=O)[O-]	ZINC001326258294	913852970	/nfs/dbraw/zinc/85/29/70/913852970.db2.gz	CZYYFRUGPGJLCQ-RGOKHQFPSA-N	-1	0	254.286	0.635	20	30		CCEDRM
C=CC[C@H](NC(=O)CCNC(=O)C(C)(C)C)C(=O)[O-]	ZINC000150083765	894973043	/nfs/dbraw/zinc/97/30/43/894973043.db2.gz	HUOFEOBZMSGFAF-VIFPVBQESA-N	-1	0	270.329	0.684	20	30		CCEDRM
C=CC[C@@H](NC(=O)Cc1ccn(CC)n1)C(=O)[O-]	ZINC001326791660	914175477	/nfs/dbraw/zinc/17/54/77/914175477.db2.gz	ZZCVRZNPUZKPLV-SNVBAGLBSA-N	-1	0	251.286	0.591	20	30		CCEDRM
Cc1nc([N-]S(=O)(=O)N(C)C)c(C#N)cc1C#N	ZINC001251051393	900058438	/nfs/dbraw/zinc/05/84/38/900058438.db2.gz	INSNWHCKDCAISX-UHFFFAOYSA-N	-1	0	265.298	0.352	20	30		CCEDRM
CN(C(=O)c1cnc(C(F)(F)F)c(C#N)c1)c1nnn[n-]1	ZINC001411481438	901084309	/nfs/dbraw/zinc/08/43/09/901084309.db2.gz	SHGXDWSNGUZOIB-UHFFFAOYSA-N	-1	0	297.200	0.762	20	30		CCEDRM
CC1(CNC(=O)Cn2cc(C#N)c(=O)[n-]c2=O)CCCC1	ZINC001411781686	901252458	/nfs/dbraw/zinc/25/24/58/901252458.db2.gz	RRQVXJQSHMJEGB-UHFFFAOYSA-N	-1	0	290.323	0.517	20	30		CCEDRM
CC1(C)CC[C@H](NC(=O)Cn2cc(C#N)c(=O)[n-]c2=O)C1	ZINC001411937631	901341607	/nfs/dbraw/zinc/34/16/07/901341607.db2.gz	QMZHSIDZMPAIQW-JTQLQIEISA-N	-1	0	290.323	0.515	20	30		CCEDRM
Cc1cc(C#N)c(=O)[n-]c1C(=O)N1CC[C@H](C)[C@H](O)C1	ZINC001411981564	901373528	/nfs/dbraw/zinc/37/35/28/901373528.db2.gz	AFQSSXAWMBDCRV-GZMMTYOYSA-N	-1	0	275.308	0.810	20	30		CCEDRM
N#Cc1c(F)cccc1C(=O)[N-]n1ccc(=O)[nH]c1=O	ZINC001412416953	901704208	/nfs/dbraw/zinc/70/42/08/901704208.db2.gz	YSGQIQAGQOYJNP-UHFFFAOYSA-N	-1	0	274.211	0.344	20	30		CCEDRM
COC[C@H](NC(=O)c1cc(C#N)oc1C)c1nnn[n-]1	ZINC001412605530	901862914	/nfs/dbraw/zinc/86/29/14/901862914.db2.gz	KHZRYSLEPMZXSO-VIFPVBQESA-N	-1	0	276.256	0.090	20	30		CCEDRM
COC[C@H](NC(=O)c1ccc(CC#N)cc1)c1nnn[n-]1	ZINC001412610018	901869141	/nfs/dbraw/zinc/86/91/41/901869141.db2.gz	PTPRNGWGBYZCRS-NSHDSACASA-N	-1	0	286.295	0.383	20	30		CCEDRM
N#Cc1cccc(C(=O)N2CC[C@@H]3C[C@@]32C(N)=O)c1[O-]	ZINC001276215575	901974731	/nfs/dbraw/zinc/97/47/31/901974731.db2.gz	MEIUFWQVBIMXKS-OTYXRUKQSA-N	-1	0	271.276	0.354	20	30		CCEDRM
Cc1cc(C#N)c(=O)[n-]c1C(=O)N1C[C@@H](O)C2(CC2)C1	ZINC001412874742	902323265	/nfs/dbraw/zinc/32/32/65/902323265.db2.gz	ZNUZMFCNTRBGOG-SNVBAGLBSA-N	-1	0	273.292	0.564	20	30		CCEDRM
C[C@H]1CC[C@H](C(=O)NCCn2cc(C#N)c(=O)[n-]c2=O)C1	ZINC001413311944	902861774	/nfs/dbraw/zinc/86/17/74/902861774.db2.gz	RJLRAABGLBVQGT-UWVGGRQHSA-N	-1	0	290.323	0.373	20	30		CCEDRM
N#Cc1ccc(CC(=O)N2CCOC[C@@H]2c2nnn[n-]2)cc1	ZINC001413386996	902921023	/nfs/dbraw/zinc/92/10/23/902921023.db2.gz	MCPBOCUNOPJOSX-GFCCVEGCSA-N	-1	0	298.306	0.214	20	30		CCEDRM
Cn1nnc([N-]S(=O)(=O)c2cccc(C#N)c2Cl)n1	ZINC001413425474	902944427	/nfs/dbraw/zinc/94/44/27/902944427.db2.gz	FJCXFTXJEOFFMP-UHFFFAOYSA-N	-1	0	298.715	0.536	20	30		CCEDRM
Cc1cc(C#N)c(=O)[n-]c1C(=O)NC[C@H](O)c1c[nH]cn1	ZINC001413565953	903054810	/nfs/dbraw/zinc/05/48/10/903054810.db2.gz	VCBMDLGYKADCMF-JTQLQIEISA-N	-1	0	287.279	0.154	20	30		CCEDRM
C=CCN(CC=C)C(=O)C(=O)N[C@H]1C[C@H](C(=O)[O-])C1	ZINC001333857255	906119101	/nfs/dbraw/zinc/11/91/01/906119101.db2.gz	AAVOECITCPKBNX-MGCOHNPYSA-N	-1	0	266.297	0.166	20	30		CCEDRM
N#Cc1cccc(CNC(=O)c2c[n-]ncc2=O)c1	ZINC001290747869	906141913	/nfs/dbraw/zinc/14/19/13/906141913.db2.gz	NEBOPKWGSZYDFN-UHFFFAOYSA-N	-1	0	254.249	0.984	20	30		CCEDRM
C=CC[C@H](NC(=O)c1c[n-]ncc1=O)C(=O)OCC	ZINC001296236087	906885943	/nfs/dbraw/zinc/88/59/43/906885943.db2.gz	CDJKFHCEUYQYKM-VIFPVBQESA-N	-1	0	265.269	0.420	20	30		CCEDRM
O=C(N[C@@H]1CCN(O)C1=O)c1cnnc(-c2ccccc2)c1	ZINC001298425979	907238224	/nfs/dbraw/zinc/23/82/24/907238224.db2.gz	MDKFDWKGBQXLHT-GFCCVEGCSA-N	-1	0	298.302	0.864	20	30		CCEDRM
N#CCOc1ccccc1C(=O)N[C@H]1CCN(O)C1=O	ZINC001298425665	907239232	/nfs/dbraw/zinc/23/92/32/907239232.db2.gz	KPGSZZOILKOILM-JTQLQIEISA-N	-1	0	275.264	0.309	20	30		CCEDRM
N#CCOc1ccccc1C(=O)N[C@@H]1CCN(O)C1=O	ZINC001298425666	907239751	/nfs/dbraw/zinc/23/97/51/907239751.db2.gz	KPGSZZOILKOILM-SNVBAGLBSA-N	-1	0	275.264	0.309	20	30		CCEDRM
N#Cc1cn(CCC(=O)NOCC2CCC2)c(=O)[n-]c1=O	ZINC001301102860	907952138	/nfs/dbraw/zinc/95/21/38/907952138.db2.gz	PBCRUSQKJVICFE-UHFFFAOYSA-N	-1	0	292.295	0.059	20	30		CCEDRM
CCn1nc(C(=O)[N-]Oc2cccc(C#N)c2)ccc1=O	ZINC001302371046	908018075	/nfs/dbraw/zinc/01/80/75/908018075.db2.gz	BAKJAFDOXAUAHU-UHFFFAOYSA-N	-1	0	284.275	0.859	20	30		CCEDRM
N#Cc1ccc(C(=O)NCCCc2n[nH]c(=O)[n-]2)c(F)c1	ZINC001306661958	908259765	/nfs/dbraw/zinc/25/97/65/908259765.db2.gz	ZOERXODWIRVZLI-UHFFFAOYSA-N	-1	0	289.270	0.884	20	30		CCEDRM
Cc1ncoc1C(=O)[N-]S(=O)(=O)CCCC#N	ZINC001320114208	910470101	/nfs/dbraw/zinc/47/01/01/910470101.db2.gz	WVSNTDURQSOSBI-UHFFFAOYSA-N	-1	0	257.271	0.346	20	30		CCEDRM
C=CC[C@H](NC(=O)CNC(=O)NC1CCCCC1)C(=O)[O-]	ZINC001321339821	911243742	/nfs/dbraw/zinc/24/37/42/911243742.db2.gz	RXQDLHCBVUEFFS-NSHDSACASA-N	-1	0	297.355	0.764	20	30		CCEDRM
C=CC(C)(C)C(=O)N1CCN([C@]2(C(=O)[O-])CCOC2)CC1	ZINC001339539416	921755165	/nfs/dbraw/zinc/75/51/65/921755165.db2.gz	LIMVZJMJZMLKDS-OAHLLOKOSA-N	-1	0	296.367	0.587	20	30		CCEDRM
C=CC[C@H](NC(=O)N[C@@H](C)c1ccnn1C)C(=O)[O-]	ZINC001329686391	916126682	/nfs/dbraw/zinc/12/66/82/916126682.db2.gz	UWUFDQPVSKICQW-IUCAKERBSA-N	-1	0	266.301	0.810	20	30		CCEDRM
C[C@H](CC#N)C(=O)[N-]S(=O)(=O)Cc1ccon1	ZINC001330510693	916673116	/nfs/dbraw/zinc/67/31/16/916673116.db2.gz	WFYNUZINZVMIQI-SSDOTTSWSA-N	-1	0	257.271	0.170	20	30		CCEDRM
C=CCCN(C)C(=O)C(=O)NCCCCC(=O)[O-]	ZINC001331070698	917068675	/nfs/dbraw/zinc/06/86/75/917068675.db2.gz	DJWVYKSEOSZUHJ-UHFFFAOYSA-N	-1	0	256.302	0.392	20	30		CCEDRM
C=CC[C@H](NC(=O)c1cn(CC)nc1C)C(=O)[O-]	ZINC001331818072	917633761	/nfs/dbraw/zinc/63/37/61/917633761.db2.gz	HINUXPPWPQXAFJ-JTQLQIEISA-N	-1	0	251.286	0.971	20	30		CCEDRM
C#CCO[C@@H](C)C(=O)NC1(C(=O)[O-])Cc2ccccc2C1	ZINC001332158144	917917114	/nfs/dbraw/zinc/91/71/14/917917114.db2.gz	AFJLKLVLXQOWLH-NSHDSACASA-N	-1	0	287.315	0.763	20	30		CCEDRM
C=C[C@H](O)C(=O)N1C[C@H](C(=O)[O-])C[C@H](C(F)(F)F)C1	ZINC001332172790	917930099	/nfs/dbraw/zinc/93/00/99/917930099.db2.gz	RRBYSLGVPMSUNB-CSMHCCOUSA-N	-1	0	281.230	0.645	20	30		CCEDRM
C=CC[NH+]1CCC(NC(=O)N[C@H]2C[C@H](C(=O)[O-])C2)CC1	ZINC001332440301	918160117	/nfs/dbraw/zinc/16/01/17/918160117.db2.gz	NBDYONKVZHFHKT-UMSPYCQHSA-N	-1	0	281.356	0.799	20	30		CCEDRM
C=CCC(C)(C)C(=O)N1CCC(O)(c2nnn[n-]2)CC1	ZINC001332563661	918278386	/nfs/dbraw/zinc/27/83/86/918278386.db2.gz	LYVZDRGQGROGSD-UHFFFAOYSA-N	-1	0	279.344	0.612	20	30		CCEDRM
C=CC[C@@H](NC(=O)[C@H]1CCc2nc[nH]c2C1)C(=O)[O-]	ZINC001332614529	918310699	/nfs/dbraw/zinc/31/06/99/918310699.db2.gz	YRMVOGIXRVBYJN-WCBMZHEXSA-N	-1	0	263.297	0.660	20	30		CCEDRM
C=CC[C@H](NC(=O)C1(COC)CCOCC1)C(=O)[O-]	ZINC001332614024	918312855	/nfs/dbraw/zinc/31/28/55/918312855.db2.gz	SZPQXIOGJBWEHJ-JTQLQIEISA-N	-1	0	271.313	0.575	20	30		CCEDRM
C#CCOc1ccccc1C[NH2+]C[C@H](CC(=O)[O-])C(=O)[O-]	ZINC001334068915	919349914	/nfs/dbraw/zinc/34/99/14/919349914.db2.gz	CPFSMGDGDGJXII-LBPRGKRZSA-N	-1	0	291.303	0.964	20	30		CCEDRM
C[C@H](CC1CCC1)Nc1[n-]c(=O)n(C)c(=O)c1C#N	ZINC001336705606	920940664	/nfs/dbraw/zinc/94/06/64/920940664.db2.gz	LRNVYHGIXBGDBZ-MRVPVSSYSA-N	-1	0	262.313	0.936	20	30		CCEDRM
C=CCC[C@H]1CCCN1C(=O)c1n[nH]c(=O)[n-]c1=O	ZINC001336758698	920984967	/nfs/dbraw/zinc/98/49/67/920984967.db2.gz	IEYFLYTXWSKQQB-QMMMGPOBSA-N	-1	0	264.285	0.854	20	30		CCEDRM
Cn1cc([C@@H]2C[C@H]2C(=O)Nc2nc(C#N)c(C#N)[n-]2)cn1	ZINC001418239885	921953104	/nfs/dbraw/zinc/95/31/04/921953104.db2.gz	WRJYXILUVFCRLH-DTWKUNHWSA-N	-1	0	281.279	0.629	20	30		CCEDRM
COC(=O)[C@H](C)N(C)C(=O)c1[n-]c(=O)c(C#N)cc1C	ZINC001418473293	922160611	/nfs/dbraw/zinc/16/06/11/922160611.db2.gz	XSSGBIANFIVFCU-QMMMGPOBSA-N	-1	0	277.280	0.601	20	30		CCEDRM
CNC(=O)c1ccc(C([O-])=C(C#N)C(=O)NC(C)C)cn1	ZINC001341766816	922665008	/nfs/dbraw/zinc/66/50/08/922665008.db2.gz	GCHPHKMMVMVQBD-SNVBAGLBSA-N	-1	0	288.307	0.288	20	30		CCEDRM
N#CC(C(=O)N1CCCC1)=C([O-])c1coc(C(N)=O)c1	ZINC001341915814	922721525	/nfs/dbraw/zinc/72/15/25/922721525.db2.gz	SHGKRIWFRYURLK-SECBINFHSA-N	-1	0	275.264	0.323	20	30		CCEDRM
C=CCNC(=O)C(C#N)=C([O-])c1c2c(nn1C)CCC2	ZINC001342047778	922779233	/nfs/dbraw/zinc/77/92/33/922779233.db2.gz	CFJRTXUZMGEVFT-JTQLQIEISA-N	-1	0	272.308	0.533	20	30		CCEDRM
N#Cc1cc(C(=O)N2CCC[C@@H](Cc3nnn[n-]3)C2)c[nH]1	ZINC001419596876	922942160	/nfs/dbraw/zinc/94/21/60/922942160.db2.gz	QKEYXQFPAAQHRU-VIFPVBQESA-N	-1	0	285.311	0.494	20	30		CCEDRM
CNC(=O)C(C#N)=C([O-])c1ccc(C(=O)OC)o1	ZINC001342579214	923010271	/nfs/dbraw/zinc/01/02/71/923010271.db2.gz	KOCGPLDQRKZICU-ZCFIWIBFSA-N	-1	0	250.210	0.135	20	30		CCEDRM
COCCNC(=O)C(C#N)=C([O-])c1n[nH]c2c1CCCC2	ZINC001342604311	923019814	/nfs/dbraw/zinc/01/98/14/923019814.db2.gz	GAIFSIRXHCODNS-SNVBAGLBSA-N	-1	0	290.323	0.374	20	30		CCEDRM
N#CC(C(=O)NC1CC1)=C([O-])c1cn2c(n1)CCCC2	ZINC001342598805	923020840	/nfs/dbraw/zinc/02/08/40/923020840.db2.gz	WIIVSRAOVNAKOI-JTQLQIEISA-N	-1	0	272.308	0.820	20	30		CCEDRM
N#CC(=C([O-])c1cc2n(n1)CCO2)c1ccncn1	ZINC001342610269	923025210	/nfs/dbraw/zinc/02/52/10/923025210.db2.gz	JYYWAHBLKWVIHH-MRVPVSSYSA-N	-1	0	255.237	0.556	20	30		CCEDRM
COCc1nocc1C([O-])=C(C#N)C(=O)N1CCCC1	ZINC001342614762	923026610	/nfs/dbraw/zinc/02/66/10/923026610.db2.gz	GMXCSQLCLMEEBR-VIFPVBQESA-N	-1	0	277.280	0.766	20	30		CCEDRM
CNC(=O)C(C#N)=C([O-])c1cc(Br)n(C)n1	ZINC001342761018	923082829	/nfs/dbraw/zinc/08/28/29/923082829.db2.gz	JPUJFYADZPNXFW-YFKPBYRVSA-N	-1	0	285.101	0.251	20	30		CCEDRM
CCn1nc(C([O-])=C(C#N)C(=O)NC)cc1C1CC1	ZINC001343538738	923366263	/nfs/dbraw/zinc/36/62/63/923366263.db2.gz	KUERLTWSBIEDEQ-SECBINFHSA-N	-1	0	260.297	0.849	20	30		CCEDRM
C=CCN(C)c1nnc(-c2cc(=O)[nH][n-]2)n1CC(=C)C	ZINC001343785665	923465704	/nfs/dbraw/zinc/46/57/04/923465704.db2.gz	CYBYPQMESHCOQB-UHFFFAOYSA-N	-1	0	274.328	0.700	20	30		CCEDRM
Cn1ccnc1C([O-])=C(C#N)C(=O)[C@]1(F)CCOC1	ZINC001347202470	924397308	/nfs/dbraw/zinc/39/73/08/924397308.db2.gz	CFPFMOPDFAURNQ-UFBFGSQYSA-N	-1	0	265.244	0.440	20	30		CCEDRM
C#CCCCCC(=O)N[C@@H](C(=O)[O-])[C@H](O)c1ccncc1	ZINC001347561275	924480079	/nfs/dbraw/zinc/48/00/79/924480079.db2.gz	HLPYGBLLYPUEIR-ZIAGYGMSSA-N	-1	0	290.319	0.878	20	30		CCEDRM
C=CCn1cc(C(=O)[N-]n2cnc3ccccc3c2=O)nn1	ZINC001350035789	925118544	/nfs/dbraw/zinc/11/85/44/925118544.db2.gz	DTHRIQWUZNCEPR-UHFFFAOYSA-N	-1	0	296.290	0.558	20	30		CCEDRM
C=CC1CCN(Cc2cn(CC(=O)[O-])nn2)CC1	ZINC001351316351	925403450	/nfs/dbraw/zinc/40/34/50/925403450.db2.gz	VSHQJWJCVQWURJ-UHFFFAOYSA-N	-1	0	250.302	0.761	20	30		CCEDRM
C#CCO[N-]C(=O)[C@@]1(N(C)C)COc2ccccc2C1	ZINC001352434318	925576374	/nfs/dbraw/zinc/57/63/74/925576374.db2.gz	XEOHCWYCEAUUMI-HNNXBMFYSA-N	-1	0	274.320	0.603	20	30		CCEDRM
CC#CCS(=O)(=O)[N-]C(=O)C[C@@H]1C[C@H]1C1CC1	ZINC001353521571	925860334	/nfs/dbraw/zinc/86/03/34/925860334.db2.gz	GJVVPSALUKNAJB-QWRGUYRKSA-N	-1	0	255.339	0.892	20	30		CCEDRM
C=C[C@H](C)O[N-]C(=O)[C@@H](O)CNC(=O)OC(C)(C)C	ZINC001353726140	925918801	/nfs/dbraw/zinc/91/88/01/925918801.db2.gz	WTUDXZUGRXOCDA-IUCAKERBSA-N	-1	0	274.317	0.494	20	30		CCEDRM
Cn1c(=O)[n-]c(Sc2nc(CO)cs2)c(C#N)c1=O	ZINC001413921867	925939718	/nfs/dbraw/zinc/93/97/18/925939718.db2.gz	SREQQIXLNWMBFI-UHFFFAOYSA-N	-1	0	296.333	0.045	20	30		CCEDRM
C=CCN(CC(=O)[O-])C(=O)NCc1cnn(CCOC)c1	ZINC001354040743	925992321	/nfs/dbraw/zinc/99/23/21/925992321.db2.gz	HPMVVQNQUNYPSM-UHFFFAOYSA-N	-1	0	296.327	0.312	20	30		CCEDRM
CCNc1ccc(Nc2[n-]c(=O)n(C)c(=O)c2C#N)cn1	ZINC001421317768	926673936	/nfs/dbraw/zinc/67/39/36/926673936.db2.gz	RWXPCPURDXYANK-UHFFFAOYSA-N	-1	0	286.295	0.516	20	30		CCEDRM
CCc1ccc(C(=O)Cn2c(=O)[n-]cc(C#N)c2=O)cc1	ZINC001413932139	926933132	/nfs/dbraw/zinc/93/31/32/926933132.db2.gz	RVGZZILEVPYANW-UHFFFAOYSA-N	-1	0	283.287	0.854	20	30		CCEDRM
C[C@H](NC(=O)Cn1cc(C#N)c(=O)[n-]c1=O)c1ccccn1	ZINC001361744820	927296049	/nfs/dbraw/zinc/29/60/49/927296049.db2.gz	MTUQXAVCANBQOJ-VIFPVBQESA-N	-1	0	299.290	0.093	20	30		CCEDRM
Cc1cc(NC(=O)CCc2nnn[n-]2)n(CCC#N)n1	ZINC001361841183	927378625	/nfs/dbraw/zinc/37/86/25/927378625.db2.gz	GQJSTHHJOORZKW-UHFFFAOYSA-N	-1	0	274.288	0.190	20	30		CCEDRM
CCN(CCC(=O)OC)C(=O)c1[n-]c(=O)c(C#N)cc1C	ZINC001362130968	927646462	/nfs/dbraw/zinc/64/64/62/927646462.db2.gz	VUYURMMHRFBPDK-UHFFFAOYSA-N	-1	0	291.307	0.993	20	30		CCEDRM
C[C@@]1(C#N)CCCN(C(=O)CCCn2c(=O)[n-][nH]c2=O)C1	ZINC001362201628	927723894	/nfs/dbraw/zinc/72/38/94/927723894.db2.gz	AOXZPUOGISBOFK-ZDUSSCGKSA-N	-1	0	293.327	0.622	20	30		CCEDRM
Cc1cc(C#N)c(=O)[n-]c1C(=O)NC[C@@H](O)C(F)(F)F	ZINC001362359270	927920559	/nfs/dbraw/zinc/92/05/59/927920559.db2.gz	VXVVKNHXFDEBEG-SSDOTTSWSA-N	-1	0	289.213	0.620	20	30		CCEDRM
C[C@@H](CN(C)C(=O)[C@@]1(C#N)CCCOC1)c1nnn[n-]1	ZINC001362487050	928085734	/nfs/dbraw/zinc/08/57/34/928085734.db2.gz	CFONCXHQNVOAHZ-JOYOIKCWSA-N	-1	0	278.316	0.082	20	30		CCEDRM
Cc1cc(C#N)c(=O)[n-]c1C(=O)NCCc1nnc[nH]1	ZINC001362741380	928432882	/nfs/dbraw/zinc/43/28/82/928432882.db2.gz	SVRKNINFPJSTKW-UHFFFAOYSA-N	-1	0	272.268	0.058	20	30		CCEDRM
N#C[C@]1(C(=O)NCCc2nc(=O)o[n-]2)CC12CCCC2	ZINC001362749589	928443757	/nfs/dbraw/zinc/44/37/57/928443757.db2.gz	RSFRVPZMPODQOI-ZDUSSCGKSA-N	-1	0	276.296	0.496	20	30		CCEDRM
Cc1cc(C#N)c(=O)[n-]c1C(=O)N[C@@H](CO)CC1CC1	ZINC001362835756	928550060	/nfs/dbraw/zinc/55/00/60/928550060.db2.gz	GJEIYXBPDGRCKK-LLVKDONJSA-N	-1	0	275.308	0.858	20	30		CCEDRM
CC(C)(C#N)c1ccc(C(=O)Nn2c(=O)[n-][nH]c2=O)cc1	ZINC001362951491	928690655	/nfs/dbraw/zinc/69/06/55/928690655.db2.gz	ZKOZMKLPDQHAHP-UHFFFAOYSA-N	-1	0	287.279	0.874	20	30		CCEDRM
CCC(C#N)(CC)C(=O)N1CCC(O)(c2nnn[n-]2)CC1	ZINC001363028365	928777540	/nfs/dbraw/zinc/77/75/40/928777540.db2.gz	LWUBFXZNJPROFO-UHFFFAOYSA-N	-1	0	292.343	0.340	20	30		CCEDRM
N#Cc1nc(NC(=O)C2=CS(=O)(=O)CCC2)[n-]c1C#N	ZINC001363157308	928929615	/nfs/dbraw/zinc/92/96/15/928929615.db2.gz	LVQODOIVLZZQQU-UHFFFAOYSA-N	-1	0	291.292	0.184	20	30		CCEDRM
N#Cc1cn(CC(=O)N[C@@H]2C[C@H]2C2CCC2)c(=O)[n-]c1=O	ZINC001363450632	929250726	/nfs/dbraw/zinc/25/07/26/929250726.db2.gz	DOOATCBFHUWUIK-WDEREUQCSA-N	-1	0	288.307	0.125	20	30		CCEDRM
Cn1c(=O)[n-]c(NCc2cnc(Cl)cn2)c(C#N)c1=O	ZINC001363724702	929522853	/nfs/dbraw/zinc/52/28/53/929522853.db2.gz	CSTBUXRCCCPEFE-UHFFFAOYSA-N	-1	0	292.686	0.001	20	30		CCEDRM
Cn1c(=O)[n-]c(NCc2ccc(O)cc2)c(C#N)c1=O	ZINC001363727347	929525527	/nfs/dbraw/zinc/52/55/27/929525527.db2.gz	XQDRRQCUEAZGFB-UHFFFAOYSA-N	-1	0	272.264	0.263	20	30		CCEDRM
CC[C@@H](C)C[C@@H](C)NC(=O)Cn1cc(C#N)c(=O)[n-]c1=O	ZINC001444694866	929934439	/nfs/dbraw/zinc/93/44/39/929934439.db2.gz	QDFFMBXINQSGEO-NXEZZACHSA-N	-1	0	292.339	0.761	20	30		CCEDRM
C[C@@H](C#N)NC(=O)c1nc[n-]c(=O)c1Br	ZINC001447729919	930689926	/nfs/dbraw/zinc/68/99/26/930689926.db2.gz	PXITYKRBFZOBFP-BYPYZUCNSA-N	-1	0	271.074	0.587	20	30		CCEDRM
C[C@H](C#N)C(=O)NC1(C)CCN(Cc2n[nH]c(=O)[n-]2)CC1	ZINC001375773520	930972117	/nfs/dbraw/zinc/97/21/17/930972117.db2.gz	LJXLYCDMORLBSU-SECBINFHSA-N	-1	0	292.343	0.141	20	30		CCEDRM
C#CC[C@H](NC(=O)c1ccc2oc(=O)nc-2[n-]1)C(=O)OC	ZINC001451181526	931394844	/nfs/dbraw/zinc/39/48/44/931394844.db2.gz	PQHZLLILUXZNIH-QMMMGPOBSA-N	-1	0	289.247	0.223	20	30		CCEDRM
CN(C)c1cc(NC(=O)[C@](C)(C#N)CC(=O)[O-])ncn1	ZINC001610904674	970783936	/nfs/dbraw/zinc/78/39/36/970783936.db2.gz	QVOQJAJWLHNSQP-LBPRGKRZSA-N	-1	0	277.284	0.486	20	30		CCEDRM
CN(CCC(=O)[O-])C(=O)C(=O)N1CCC[C@](C)(C#N)C1	ZINC001610920752	970790921	/nfs/dbraw/zinc/79/09/21/970790921.db2.gz	XLDWQPPELRQDJE-CYBMUJFWSA-N	-1	0	281.312	0.072	20	30		CCEDRM
Cc1ccc(S(=O)(=O)NC[C@H](C)C(=O)[O-])c(C#N)c1	ZINC001600480767	970814631	/nfs/dbraw/zinc/81/46/31/970814631.db2.gz	GHCVSTAJWVGGGP-VIFPVBQESA-N	-1	0	282.321	0.866	20	30		CCEDRM
Cn1c(C#N)ccc1C(=O)NC1(CC(=O)[O-])CCOCC1	ZINC001600899023	970878710	/nfs/dbraw/zinc/87/87/10/970878710.db2.gz	CZILVBUYHJEUGK-UHFFFAOYSA-N	-1	0	291.307	0.650	20	30		CCEDRM
Cn1nc(C(=O)[O-])cc1C(=O)N[C@@]1(C#N)CCSC1	ZINC001601000435	970897939	/nfs/dbraw/zinc/89/79/39/970897939.db2.gz	IQKJIYMGNPVLGA-LLVKDONJSA-N	-1	0	280.309	0.247	20	30		CCEDRM
N#C[C@]1(F)CCN(C(=O)c2cnc(C(=O)[O-])cn2)C1	ZINC001601057253	970924728	/nfs/dbraw/zinc/92/47/28/970924728.db2.gz	QHACKZXWFOIKBE-LLVKDONJSA-N	-1	0	264.216	0.253	20	30		CCEDRM
N#CCC1(O)CN(C(=O)c2cccc(OCC(=O)[O-])c2)C1	ZINC001601063127	970926086	/nfs/dbraw/zinc/92/60/86/970926086.db2.gz	QLSAAZTXMOPHOY-UHFFFAOYSA-N	-1	0	290.275	0.251	20	30		CCEDRM
N#Cc1cccc(C2(NC(=O)COCC(=O)[O-])CC2)c1	ZINC001601119979	970937335	/nfs/dbraw/zinc/93/73/35/970937335.db2.gz	CUHFIPYIXBTHAI-UHFFFAOYSA-N	-1	0	274.276	0.765	20	30		CCEDRM
O=C([O-])CCNN=C1C(=O)Nc2c1ccc(O)c2F	ZINC001611454562	971060962	/nfs/dbraw/zinc/06/09/62/971060962.db2.gz	QTXLZNJBFYKQEU-UHFFFAOYSA-N	-1	0	267.216	0.252	20	30		CCEDRM
C#C[C@@H](C)NC(=O)C(=O)Nc1ccc(C(=O)[O-])cc1F	ZINC001602672281	971236145	/nfs/dbraw/zinc/23/61/45/971236145.db2.gz	JIBRQSHAUDAJKE-SSDOTTSWSA-N	-1	0	278.239	0.600	20	30		CCEDRM
C#CCC[C@H](O)CNC(=O)c1ccc(OCC(=O)[O-])cc1	ZINC001602674749	971242782	/nfs/dbraw/zinc/24/27/82/971242782.db2.gz	CHEPYZBNJCOWTJ-LBPRGKRZSA-N	-1	0	291.303	0.654	20	30		CCEDRM
C#CC[C@H](CO)NC(=O)NCCCCCC(=O)[O-]	ZINC001602674768	971243937	/nfs/dbraw/zinc/24/39/37/971243937.db2.gz	CQKADARKPYMQHI-SNVBAGLBSA-N	-1	0	256.302	0.315	20	30		CCEDRM
C#CC[C@H](CO)NC(=O)/C=C\c1ccc(C(=O)[O-])o1	ZINC001602675300	971247999	/nfs/dbraw/zinc/24/79/99/971247999.db2.gz	PDCFBDFBWWYETN-WILPJHFFSA-N	-1	0	263.249	0.491	20	30		CCEDRM
C#CCCCS(=O)(=O)N[C@H](Cc1ccncc1)C(=O)[O-]	ZINC001602675614	971252158	/nfs/dbraw/zinc/25/21/58/971252158.db2.gz	CWLRSTIVEHGWPR-GFCCVEGCSA-N	-1	0	296.348	0.410	20	30		CCEDRM
C#CCCCn1nnnc1N1CCC(C(=O)[O-])CC1	ZINC001602675878	971254988	/nfs/dbraw/zinc/25/49/88/971254988.db2.gz	YBLIYRIDEZBZIZ-UHFFFAOYSA-N	-1	0	263.301	0.388	20	30		CCEDRM
C#CCN(CC(=O)[O-])C(=O)c1cc(C(C)C)n(C)n1	ZINC001602691227	971294510	/nfs/dbraw/zinc/29/45/10/971294510.db2.gz	CFDHVNBSLZJZCU-UHFFFAOYSA-N	-1	0	263.297	0.704	20	30		CCEDRM
C#CCN(CC(=O)[O-])C(=O)c1cccc2ncn(C)c21	ZINC001602692448	971303212	/nfs/dbraw/zinc/30/32/12/971303212.db2.gz	PQISTHYRTPWTRP-UHFFFAOYSA-N	-1	0	271.276	0.733	20	30		CCEDRM
C#CCN(CC(=O)[O-])C(=O)c1cccc2oc(=O)[nH]c21	ZINC001602692576	971303816	/nfs/dbraw/zinc/30/38/16/971303816.db2.gz	UKEDZWCSCXNNAR-UHFFFAOYSA-N	-1	0	274.232	0.693	20	30		CCEDRM
C#CCN(CC(=O)[O-])C(=O)c1nccc2cccnc21	ZINC001602692733	971305157	/nfs/dbraw/zinc/30/51/57/971305157.db2.gz	YAWOTOBNRZYFPM-UHFFFAOYSA-N	-1	0	269.260	0.790	20	30		CCEDRM
C#CCN(CC(=O)[O-])[C@@H](C(N)=O)c1ccc(C#N)cc1	ZINC001602695264	971305990	/nfs/dbraw/zinc/30/59/90/971305990.db2.gz	BIMQBBGZPPDNEY-CYBMUJFWSA-N	-1	0	271.276	0.104	20	30		CCEDRM
C#CCN(CC(=O)[O-])C[C@H](O)COc1ccccc1	ZINC001602695950	971313783	/nfs/dbraw/zinc/31/37/83/971313783.db2.gz	YOEDMRKETONNBD-LBPRGKRZSA-N	-1	0	263.293	0.446	20	30		CCEDRM
C#CCN(CC(=O)[O-])c1nnnn1C[C@@H]1C[C@H](C)O[C@H]1C	ZINC001602700604	971319454	/nfs/dbraw/zinc/31/94/54/971319454.db2.gz	ATKLQNROTSVEQE-DCAQKATOSA-N	-1	0	293.327	0.011	20	30		CCEDRM
C#CCN(CC(=O)[O-])c1nnc([C@@H](C)O)n1CC=C	ZINC001602700815	971321827	/nfs/dbraw/zinc/32/18/27/971321827.db2.gz	KGLQKQCESGKPAF-SECBINFHSA-N	-1	0	264.285	0.042	20	30		CCEDRM
C#CCO[C@@H](C)C(=O)N1[C@@H](C)CCC[C@H]1C(=O)[O-]	ZINC001602702881	971331880	/nfs/dbraw/zinc/33/18/80/971331880.db2.gz	VDZQDKAIHFVXKB-DCAQKATOSA-N	-1	0	253.298	0.879	20	30		CCEDRM
C#CCSCCNC(=O)C1(CC(=O)[O-])CCOCC1	ZINC001602704289	971333112	/nfs/dbraw/zinc/33/31/12/971333112.db2.gz	BLKVZMXMQUPAKC-UHFFFAOYSA-N	-1	0	285.365	0.741	20	30		CCEDRM
C#CCN(CC(=O)[O-])c1nnc([C@]2(C)CCCO2)n1C	ZINC001602701103	971326455	/nfs/dbraw/zinc/32/64/55/971326455.db2.gz	WBCRXHONSLCHHJ-ZDUSSCGKSA-N	-1	0	278.312	0.365	20	30		CCEDRM
C=C(Br)COC(=O)[C@](C)(OC)C(=O)[O-]	ZINC001602706827	971339073	/nfs/dbraw/zinc/33/90/73/971339073.db2.gz	AYNJVYJSQPYZCR-MRVPVSSYSA-N	-1	0	267.075	0.928	20	30		CCEDRM
C=C(C)CN(C)C(=O)C(=O)N1CCC[C@@H](CC(=O)[O-])C1	ZINC001602709512	971347034	/nfs/dbraw/zinc/34/70/34/971347034.db2.gz	FBPAHTKXUXSCLR-NSHDSACASA-N	-1	0	282.340	0.734	20	30		CCEDRM
C=C(CCC(=O)OC)C(=O)N[C@@H](C(=O)[O-])c1ccnn1C	ZINC001602712458	971356329	/nfs/dbraw/zinc/35/63/29/971356329.db2.gz	RQSJRJDJVDHFOE-LLVKDONJSA-N	-1	0	295.295	0.171	20	30		CCEDRM
C=C[C@H](OC(=O)[C@@H]1CC[C@H]1C(=O)[O-])C(=O)OCC	ZINC001602717439	971367641	/nfs/dbraw/zinc/36/76/41/971367641.db2.gz	MPHWMGJAKSLTAB-HLTSFMKQSA-N	-1	0	256.254	0.758	20	30		CCEDRM
C=CCN1CC[C@H](OC(=O)c2cnc(C(=O)[O-])cn2)C1=O	ZINC001602723099	971392950	/nfs/dbraw/zinc/39/29/50/971392950.db2.gz	LTPGSBCVVBQDNL-JTQLQIEISA-N	-1	0	291.263	0.119	20	30		CCEDRM
CC#CC[C@@H](CO)NC(=O)C1(C(=O)[O-])CCSCC1	ZINC001602735202	971417835	/nfs/dbraw/zinc/41/78/35/971417835.db2.gz	VFNDNWWOXMUNER-JTQLQIEISA-N	-1	0	285.365	0.475	20	30		CCEDRM
CC#CC[C@H](CO)NC(=O)[C@H]1CO[C@H](CCC(=O)[O-])C1	ZINC001602735259	971417964	/nfs/dbraw/zinc/41/79/64/971417964.db2.gz	WSTLSFPWPXNJEA-IJLUTSLNSA-N	-1	0	283.324	0.147	20	30		CCEDRM
C[C@](C#N)(CC(=O)[O-])C(=O)N1CCCc2c(=O)[nH]cnc21	ZINC001602779359	971516349	/nfs/dbraw/zinc/51/63/49/971516349.db2.gz	XBMVPPINIJBUJC-CYBMUJFWSA-N	-1	0	290.279	0.466	20	30		CCEDRM
C#CCN(CC(=O)[O-])C(=O)CCn1cnc2ccccc21	ZINC000092478097	949146704	/nfs/dbraw/zinc/14/67/04/949146704.db2.gz	XJEGIGOAJYSWIG-UHFFFAOYSA-N	-1	0	285.303	0.973	20	30		CCEDRM
C#CCN(CC(=O)[O-])C(=O)c1cc(Br)cn1C	ZINC000092477831	949147140	/nfs/dbraw/zinc/14/71/40/949147140.db2.gz	PDPBHMBFVQELOW-UHFFFAOYSA-N	-1	0	299.124	0.948	20	30		CCEDRM
C#CCN(CC(=O)[O-])C(=O)c1cnc2ccccc2n1	ZINC000092478543	949150382	/nfs/dbraw/zinc/15/03/82/949150382.db2.gz	TZDSLPCKPQWBAF-UHFFFAOYSA-N	-1	0	269.260	0.790	20	30		CCEDRM
C#CCN(CC(=O)[O-])CC(=O)Nc1ccccc1F	ZINC000092482603	949155055	/nfs/dbraw/zinc/15/50/55/949155055.db2.gz	GCIFDJKWQCVHKD-UHFFFAOYSA-N	-1	0	264.256	0.784	20	30		CCEDRM
C#CCN(CCn1c(C)ncc1[N+](=O)[O-])CC(=O)[O-]	ZINC000092483362	949157437	/nfs/dbraw/zinc/15/74/37/949157437.db2.gz	MNCNBIKFGXDWCC-UHFFFAOYSA-N	-1	0	266.257	0.120	20	30		CCEDRM
O=C([O-])c1ccc(C=NN2C(=O)CNC2=O)s1	ZINC001595226892	949306010	/nfs/dbraw/zinc/30/60/10/949306010.db2.gz	OOSZTVWTXYCXPW-UHFFFAOYSA-N	-1	0	253.239	0.332	20	30		CCEDRM
C#CCN(CC(=O)[O-])C(=O)N[C@H]1CCOC(C)(C)C1	ZINC000215357757	949543807	/nfs/dbraw/zinc/54/38/07/949543807.db2.gz	CLTXUJPCXGSKHY-JTQLQIEISA-N	-1	0	268.313	0.673	20	30		CCEDRM
C#CCN(CC(=O)[O-])C(=O)N[C@@H]1CCOC(C)(C)C1	ZINC000215357713	949544037	/nfs/dbraw/zinc/54/40/37/949544037.db2.gz	CLTXUJPCXGSKHY-SNVBAGLBSA-N	-1	0	268.313	0.673	20	30		CCEDRM
C[C@H](C(=O)[O-])C(=O)O[C@@H](C(N)=O)c1ccc(C#N)cc1	ZINC001602810478	971600324	/nfs/dbraw/zinc/60/03/24/971600324.db2.gz	PFUDTDILKOYWGN-GMSGAONNSA-N	-1	0	276.248	0.349	20	30		CCEDRM
CC(C)N(CCC#N)C(=O)[C@H]1CC(C(=O)[O-])=NO1	ZINC000230758571	949706966	/nfs/dbraw/zinc/70/69/66/949706966.db2.gz	GOKADLMNEKBCMM-SECBINFHSA-N	-1	0	253.258	0.367	20	30		CCEDRM
C[C@H](C(=O)[O-])N(C1CC1)S(=O)(=O)CCCCC#N	ZINC001602820426	971626018	/nfs/dbraw/zinc/62/60/18/971626018.db2.gz	WPBHSIFYCFRVHU-SECBINFHSA-N	-1	0	274.342	0.948	20	30		CCEDRM
C#CCN(CC(=O)[O-])C(=O)N[C@H]1CC[C@H](O)CC1	ZINC000253140858	950023746	/nfs/dbraw/zinc/02/37/46/950023746.db2.gz	WUYPVVOGFPYYFQ-MGCOHNPYSA-N	-1	0	254.286	0.019	20	30		CCEDRM
CC(C)(C)[C@@H](C(=O)[O-])C(=O)N1CC[C@@](O)(CC#N)C1	ZINC001602847476	971683294	/nfs/dbraw/zinc/68/32/94/971683294.db2.gz	MPTKDGCMGNTJGT-RNCFNFMXSA-N	-1	0	268.313	0.610	20	30		CCEDRM
C#CCN(CC(=O)[O-])C(=O)N[C@@H]1CCC(F)(F)C1	ZINC000310980303	950722739	/nfs/dbraw/zinc/72/27/39/950722739.db2.gz	QXNZGRYQUQNBGS-MRVPVSSYSA-N	-1	0	260.240	0.904	20	30		CCEDRM
CCOCCOCCNC(=O)[C@@](C)(C#N)CC(=O)[O-]	ZINC001591925825	951242768	/nfs/dbraw/zinc/24/27/68/951242768.db2.gz	HDASLVQMBBUBGT-GFCCVEGCSA-N	-1	0	272.301	0.160	20	30		CCEDRM
C#CCN(CC(=O)[O-])C(=O)NCc1cnn(CC)c1	ZINC000390486989	951380372	/nfs/dbraw/zinc/38/03/72/951380372.db2.gz	KUJPIQFDIBPRPB-UHFFFAOYSA-N	-1	0	264.285	0.132	20	30		CCEDRM
CC(C)(CCC#N)CNC(=O)N1CCO[C@@H](C(=O)[O-])C1	ZINC001602933981	971901060	/nfs/dbraw/zinc/90/10/60/971901060.db2.gz	PIHWEPOPENHKSX-SNVBAGLBSA-N	-1	0	283.328	0.811	20	30		CCEDRM
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CC(C)[C@H](C(=O)[O-])C(=O)OCC(=O)N[C@](C)(C#N)C1CC1	ZINC001602970223	971967965	/nfs/dbraw/zinc/96/79/65/971967965.db2.gz	JWLOQVASENOLIE-BXUZGUMPSA-N	-1	0	296.323	0.695	20	30		CCEDRM
CN(CC(=O)[O-])Cc1cn(CC2(C#N)CCCC2)nn1	ZINC001593722405	954259616	/nfs/dbraw/zinc/25/96/16/954259616.db2.gz	FQENCFAJOCBSCC-UHFFFAOYSA-N	-1	0	277.328	0.878	20	30		CCEDRM
C[C@@H]1CN(Cc2cc(C(=O)[O-])nn2C)C[C@@H](C)N1CC#N	ZINC001589399046	954395703	/nfs/dbraw/zinc/39/57/03/954395703.db2.gz	MBWPPRVKIUUXNF-GHMZBOCLSA-N	-1	0	291.355	0.536	20	30		CCEDRM
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CC[C@H](C(=O)[O-])N(C)CC(=O)N(CC)C[C@H](C)C#N	ZINC001589440784	954709919	/nfs/dbraw/zinc/70/99/19/954709919.db2.gz	LCKOSNAKWCYLJX-GHMZBOCLSA-N	-1	0	269.345	0.790	20	30		CCEDRM
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CO[C@@H](C(=O)[O-])C(=O)[C@@H](C#N)c1cccc(F)n1	ZINC001593901274	955870921	/nfs/dbraw/zinc/87/09/21/955870921.db2.gz	TUALESMCAJRYLX-QUBYGPBYSA-N	-1	0	252.201	0.497	20	30		CCEDRM
CO[C@@H](C(=O)[O-])C(=O)O[C@H](CC#N)c1ccco1	ZINC001593914800	956011299	/nfs/dbraw/zinc/01/12/99/956011299.db2.gz	KOSXMTXSZNWVEV-BDAKNGLRSA-N	-1	0	253.210	0.877	20	30		CCEDRM
Cn1nccc1[C@H](NC(=O)c1ccnc(C#N)c1)C(=O)[O-]	ZINC001594590055	956047920	/nfs/dbraw/zinc/04/79/20/956047920.db2.gz	CEYUTDPEHKRDDW-NSHDSACASA-N	-1	0	285.263	0.242	20	30		CCEDRM
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N#CCCN1CCN(C(=O)C2(CC(=O)[O-])CCC2)CC1	ZINC001594610380	956202380	/nfs/dbraw/zinc/20/23/80/956202380.db2.gz	QFGCQSLUMAYFDL-UHFFFAOYSA-N	-1	0	279.340	0.689	20	30		CCEDRM
N#Cc1c(F)cc(C(=O)N2CC(C(=O)[O-])C2)cc1F	ZINC001594612033	956224928	/nfs/dbraw/zinc/22/49/28/956224928.db2.gz	URAPMNBZUPOQSC-UHFFFAOYSA-N	-1	0	266.203	0.993	20	30		CCEDRM
N#Cc1c(NCCC(=O)[O-])cccc1S(N)(=O)=O	ZINC001594614269	956229601	/nfs/dbraw/zinc/22/96/01/956229601.db2.gz	OBNIBWKCTRMHJB-UHFFFAOYSA-N	-1	0	269.282	0.092	20	30		CCEDRM
N#Cc1ccc(C(=O)N[C@@]2(C(=O)[O-])CCOC2)o1	ZINC001594618005	956258067	/nfs/dbraw/zinc/25/80/67/956258067.db2.gz	XHTRUFZMUPGYGM-NSHDSACASA-N	-1	0	250.210	0.125	20	30		CCEDRM
N#Cc1cccc(C(=O)NC2(CC(=O)[O-])CCOCC2)n1	ZINC001594626317	956315297	/nfs/dbraw/zinc/31/52/97/956315297.db2.gz	VUOYMAUIXZDUTB-UHFFFAOYSA-N	-1	0	289.291	0.707	20	30		CCEDRM
N#Cc1cnc(COC(=O)C2(C(=O)[O-])CCC2)nc1	ZINC001594633411	956357968	/nfs/dbraw/zinc/35/79/68/956357968.db2.gz	SEAHELWNJNYOBD-UHFFFAOYSA-N	-1	0	261.237	0.646	20	30		CCEDRM
CO[C@@H]1CC[C@@H]1N(C)C(=O)[C@](C)(C#N)CC(=O)[O-]	ZINC001593949842	956366715	/nfs/dbraw/zinc/36/67/15/956366715.db2.gz	SPOOMNPKGYZQSP-SBMIAAHKSA-N	-1	0	254.286	0.627	20	30		CCEDRM
CC(C)(C)[C@@H](C(=O)[O-])C(=O)N1CCO[C@@](C)(C#N)C1	ZINC001589181471	956524539	/nfs/dbraw/zinc/52/45/39/956524539.db2.gz	JEPVEDHESITFRR-RNCFNFMXSA-N	-1	0	268.313	0.874	20	30		CCEDRM
C[C@H](CNC(=O)[C@@](C)(C#N)CC(=O)[O-])N1CCCCC1=O	ZINC001603166140	972262138	/nfs/dbraw/zinc/26/21/38/972262138.db2.gz	AQELJPMSSDVSAF-QMTHXVAHSA-N	-1	0	295.339	0.508	20	30		CCEDRM
C[C@H](CC#N)NS(=O)(=O)c1ccc(C(=O)[O-])cc1	ZINC000050391972	957490706	/nfs/dbraw/zinc/49/07/06/957490706.db2.gz	CVFUNCIKBWXVAL-MRVPVSSYSA-N	-1	0	268.294	0.965	20	30		CCEDRM
C#CC[C@@H](NC(=O)Cc1cccc([N+](=O)[O-])c1)C(=O)[O-]	ZINC000059932838	957565677	/nfs/dbraw/zinc/56/56/77/957565677.db2.gz	XRMGPFMGNQPXSX-LLVKDONJSA-N	-1	0	276.248	0.730	20	30		CCEDRM
N#Cc1c(F)cccc1S(=O)(=O)N[C@@H](C(=O)[O-])C1CC1	ZINC000070394006	957671009	/nfs/dbraw/zinc/67/10/09/957671009.db2.gz	LRSGVVBOLNOMJK-LLVKDONJSA-N	-1	0	298.295	0.839	20	30		CCEDRM
COc1cc(C#N)ccc1OCC(=O)N1CC(C(=O)[O-])C1	ZINC001594049576	957967974	/nfs/dbraw/zinc/96/79/74/957967974.db2.gz	XTWWMZNCRCBLJM-UHFFFAOYSA-N	-1	0	290.275	0.489	20	30		CCEDRM
C#C[C@H]1COCCN1C(=O)Cc1ccccc1C(=O)[O-]	ZINC001588383490	957968174	/nfs/dbraw/zinc/96/81/74/957968174.db2.gz	BDNIEJNZMHOHNU-LBPRGKRZSA-N	-1	0	273.288	0.788	20	30		CCEDRM
C#CC1(O)CN(C(=O)c2cc(C)cc(C(=O)[O-])c2)C1	ZINC001588386594	957980104	/nfs/dbraw/zinc/98/01/04/957980104.db2.gz	SBJDEYUDONSWIF-UHFFFAOYSA-N	-1	0	259.261	0.513	20	30		CCEDRM
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C#CCN(CC(=O)[O-])C(=O)/C=C\c1cncc(C)c1	ZINC001588400506	958084833	/nfs/dbraw/zinc/08/48/33/958084833.db2.gz	ZRHVCRAYESWZKJ-PLNGDYQASA-N	-1	0	258.277	0.950	20	30		CCEDRM
C#CCN(CC(=O)[O-])C(=O)C[C@H](OCC)C(C)C	ZINC001588402451	958091780	/nfs/dbraw/zinc/09/17/80/958091780.db2.gz	VBTIDCDPUXSQLU-NSHDSACASA-N	-1	0	255.314	0.984	20	30		CCEDRM
C#CCN(CC(=O)[O-])C(=O)C[C@H]1CCOC[C@@H]1OCC	ZINC001588402647	958092960	/nfs/dbraw/zinc/09/29/60/958092960.db2.gz	ZGBLGYUQHWUSQI-NEPJUHHUSA-N	-1	0	283.324	0.365	20	30		CCEDRM
C#CCN(CC(=O)[O-])C(=O)N[C@@H](C)C1(OC)CCC1	ZINC001588407418	958099537	/nfs/dbraw/zinc/09/95/37/958099537.db2.gz	LZFNHQQRRKOBOO-JTQLQIEISA-N	-1	0	268.313	0.673	20	30		CCEDRM
C#CCN(CC(=O)[O-])C(=O)NCc1ncccc1OC	ZINC001588408720	958116337	/nfs/dbraw/zinc/11/63/37/958116337.db2.gz	AEARQHDAUAKRQH-UHFFFAOYSA-N	-1	0	277.280	0.320	20	30		CCEDRM
C#CCN(CC(=O)[O-])C(=O)NCc1cc(CC)n[nH]1	ZINC001588408722	958116465	/nfs/dbraw/zinc/11/64/65/958116465.db2.gz	AJCXCPDGXUZKJC-UHFFFAOYSA-N	-1	0	264.285	0.202	20	30		CCEDRM
C#CCN(CC(=O)[O-])C(=O)N[C@H]1CCOC2(CCC2)C1	ZINC001588409359	958127387	/nfs/dbraw/zinc/12/73/87/958127387.db2.gz	GDDRQORDWJITLG-NSHDSACASA-N	-1	0	280.324	0.818	20	30		CCEDRM
C#CCN(CC(=O)[O-])C(=O)NCc1cnc(CCC)o1	ZINC001588409497	958128033	/nfs/dbraw/zinc/12/80/33/958128033.db2.gz	XWBYAJQXTBDSPQ-UHFFFAOYSA-N	-1	0	279.296	0.857	20	30		CCEDRM
C#CCN(CC(=O)[O-])C(=O)N[C@@H](C)c1noc(C)n1	ZINC001588409656	958130784	/nfs/dbraw/zinc/13/07/84/958130784.db2.gz	IOLHOIDOPGDLBZ-ZETCQYMHSA-N	-1	0	266.257	0.168	20	30		CCEDRM
C#CCN(CC(=O)[O-])C(=O)c1cnc2cc(C)ccn2c1=O	ZINC001588418474	958179229	/nfs/dbraw/zinc/17/92/29/958179229.db2.gz	HUSQCTWREIGENF-UHFFFAOYSA-N	-1	0	299.286	0.163	20	30		CCEDRM
C#CCN(CC(=O)[O-])C(=O)c1cnc(C(=O)OCC)s1	ZINC001588418550	958181030	/nfs/dbraw/zinc/18/10/30/958181030.db2.gz	LTBNXPSXDSUIFN-UHFFFAOYSA-N	-1	0	296.304	0.480	20	30		CCEDRM
C#CCN(CC(=O)[O-])[C@@H]1CCN(C2CCCCC2)C1=O	ZINC001588420080	958198925	/nfs/dbraw/zinc/19/89/25/958198925.db2.gz	KZMVEKQOGFJCFM-CYBMUJFWSA-N	-1	0	278.352	0.940	20	30		CCEDRM
C#CCN(CC(=O)[O-])C(=S)NC1CCOCC1	ZINC001588420277	958204023	/nfs/dbraw/zinc/20/40/23/958204023.db2.gz	TXLHGYUJPNRJQU-UHFFFAOYSA-N	-1	0	256.327	0.060	20	30		CCEDRM
C#CCN(CC(=O)[O-])C[C@@H]1[C@@H](C(=O)OC)C1(F)F	ZINC001588423732	958208640	/nfs/dbraw/zinc/20/86/40/958208640.db2.gz	DOMZFSHPUBNFBZ-APPZFPTMSA-N	-1	0	261.224	0.061	20	30		CCEDRM
C#CCN(CC(=O)[O-])C[C@H](O)COc1ccc(C)cc1	ZINC001588424718	958218800	/nfs/dbraw/zinc/21/88/00/958218800.db2.gz	WRBAHJBJHCFWRB-ZDUSSCGKSA-N	-1	0	277.320	0.755	20	30		CCEDRM
C#CCN(CC(=O)OC(C)(C)C)C(=O)[C@](C)(OC)C(=O)[O-]	ZINC001588427154	958239447	/nfs/dbraw/zinc/23/94/47/958239447.db2.gz	OOLJQBVKGFPYJP-AWEZNQCLSA-N	-1	0	299.323	0.280	20	30		CCEDRM
C#CCN(CC(=O)[O-])c1nnc([C@@H](O)C2CCCC2)n1C	ZINC001588427301	958242401	/nfs/dbraw/zinc/24/24/01/958242401.db2.gz	SOSQXZSUDYPBRE-LBPRGKRZSA-N	-1	0	292.339	0.563	20	30		CCEDRM
C#CCN(CC(=O)OC(C)(C)C)C(=O)NCCCC(=O)[O-]	ZINC001588432506	958286130	/nfs/dbraw/zinc/28/61/30/958286130.db2.gz	ZMYZGBAZUQZMRY-UHFFFAOYSA-N	-1	0	298.339	0.838	20	30		CCEDRM
C=C(C)[C@@H]1OCC[C@H]1CNC(=O)[C@@](C)(OC)C(=O)[O-]	ZINC001588441074	958333842	/nfs/dbraw/zinc/33/38/42/958333842.db2.gz	FGMVNGLMRFCCQU-OUJBWJOFSA-N	-1	0	271.313	0.574	20	30		CCEDRM
Cc1ccc(C(=O)OCC(=O)NCC(=O)[O-])cc1C#N	ZINC001594350191	958344443	/nfs/dbraw/zinc/34/44/43/958344443.db2.gz	VPOGZDZQVBXPNA-UHFFFAOYSA-N	-1	0	276.248	0.224	20	30		CCEDRM
C=C(C)C[C@@H](CO)NC(=O)[C@](C)(C#N)CC(=O)[O-]	ZINC001588443003	958349022	/nfs/dbraw/zinc/34/90/22/958349022.db2.gz	XEGVMEXPJIMWAO-CABZTGNLSA-N	-1	0	254.286	0.434	20	30		CCEDRM
C=C(C)Cn1nnnc1N1CCC[C@]1(C)C(=O)[O-]	ZINC001588444914	958369581	/nfs/dbraw/zinc/36/95/81/958369581.db2.gz	YSHQBABONAEFGW-LLVKDONJSA-N	-1	0	251.290	0.693	20	30		CCEDRM
C=C[C@@](C)(CC)C(=O)N1CCN(C(=O)C(=O)[O-])CC1	ZINC001588450972	958403584	/nfs/dbraw/zinc/40/35/84/958403584.db2.gz	JBBSRKINFHBUPB-ZDUSSCGKSA-N	-1	0	268.313	0.344	20	30		CCEDRM
C=C[C@@H]1CCCCN1CCS(=O)(=O)CC(=O)[O-]	ZINC001588451806	958415806	/nfs/dbraw/zinc/41/58/06/958415806.db2.gz	BFUKBBCHUVIMGB-SNVBAGLBSA-N	-1	0	261.343	0.526	20	30		CCEDRM
C=CC[C@@H](OC(=O)c1cc(C(=O)[O-])nn1C)C(=O)OC	ZINC001588458443	958462055	/nfs/dbraw/zinc/46/20/55/958462055.db2.gz	VBNKRZPHHOQDOQ-SECBINFHSA-N	-1	0	282.252	0.393	20	30		CCEDRM
C=CCCCNC(=O)C1(C(=O)[O-])CCS(=O)(=O)CC1	ZINC001588459808	958470289	/nfs/dbraw/zinc/47/02/89/958470289.db2.gz	FUEJSYUHUUNFMY-UHFFFAOYSA-N	-1	0	289.353	0.348	20	30		CCEDRM
C=CCOC[C@@H](NC(=O)[C@@]1(C(=O)[O-])CC1(C)C)C(=O)OC	ZINC001588465050	958494482	/nfs/dbraw/zinc/49/44/82/958494482.db2.gz	FBTCPGGSGQAJLN-YMTOWFKASA-N	-1	0	299.323	0.348	20	30		CCEDRM
C=CCO[C@H]1CCN(C(=O)[C@](C)(C#N)CC(=O)[O-])C1	ZINC001588465223	958497966	/nfs/dbraw/zinc/49/79/66/958497966.db2.gz	RGICWKQBIPDGFD-GWCFXTLKSA-N	-1	0	266.297	0.794	20	30		CCEDRM
C=CCOC[C@@H](NC(=O)[C@@H](C(=O)[O-])C(C)C)C(=O)OC	ZINC001588465258	958499951	/nfs/dbraw/zinc/49/99/51/958499951.db2.gz	UHNMUOBZQHZURU-ZJUUUORDSA-N	-1	0	287.312	0.204	20	30		CCEDRM
CC#CCCCC(=O)N(CCNC(C)=O)[C@H](C)C(=O)[O-]	ZINC001588478509	958568652	/nfs/dbraw/zinc/56/86/52/958568652.db2.gz	DFLHDFMRCWJVID-LLVKDONJSA-N	-1	0	282.340	0.618	20	30		CCEDRM
C=C[C@@H]1OCC[C@H]1NC(=O)c1ccc(C(=O)[O-])cn1	ZINC001588478561	958568677	/nfs/dbraw/zinc/56/86/77/958568677.db2.gz	OTPCWQKCGQDLCM-KOLCDFICSA-N	-1	0	262.265	0.853	20	30		CCEDRM
C=C[C@@H]1OCC[C@H]1NC(=O)[C@](C)(C#N)CC(=O)[O-]	ZINC001588478657	958569978	/nfs/dbraw/zinc/56/99/78/958569978.db2.gz	VGDFMOFHLKZSFQ-PTRXPTGYSA-N	-1	0	252.270	0.451	20	30		CCEDRM
CC#CC[C@@H](CO)NC(=O)NCC1(C(=O)[O-])CCC1	ZINC001588478799	958572076	/nfs/dbraw/zinc/57/20/76/958572076.db2.gz	LQODLKFGANPEAR-JTQLQIEISA-N	-1	0	268.313	0.315	20	30		CCEDRM
C[C@](C#N)(CC(=O)[O-])C(=O)N[C@H]1CCC2(C1)OCCO2	ZINC001573364226	958613113	/nfs/dbraw/zinc/61/31/13/958613113.db2.gz	OGMSXYINNURLQC-JOYOIKCWSA-N	-1	0	282.296	0.403	20	30		CCEDRM
C[C@](C#N)(CC(=O)[O-])C(=O)N[C@@H](CO)C[C@H]1CCCO1	ZINC001573365056	958619506	/nfs/dbraw/zinc/61/95/06/958619506.db2.gz	RROYLECLPLNZFQ-GIPNMCIBSA-N	-1	0	284.312	0.037	20	30		CCEDRM
C[C@@](C#N)(CC(=O)[O-])C(=O)NCC1(CF)CCOCC1	ZINC001573365574	958621872	/nfs/dbraw/zinc/62/18/72/958621872.db2.gz	WEZDTEWUIGLMMI-LBPRGKRZSA-N	-1	0	286.303	0.873	20	30		CCEDRM
C[C@](C#N)(CC(=O)[O-])C(=O)Nc1cnc(C(N)=O)s1	ZINC001573365598	958622036	/nfs/dbraw/zinc/62/20/36/958622036.db2.gz	WGUSZVCYYSCPAC-SNVBAGLBSA-N	-1	0	282.281	0.185	20	30		CCEDRM
C[C@](C#N)(CC(=O)[O-])C(=O)OCCOC1CCOCC1	ZINC001588540062	958958037	/nfs/dbraw/zinc/95/80/37/958958037.db2.gz	OMBZCKRYHCYJAK-CYBMUJFWSA-N	-1	0	285.296	0.730	20	30		CCEDRM
C[C@@](C#N)(CC(=O)[O-])C(=O)NCc1nnc(C2CC2)o1	ZINC001588541477	958962730	/nfs/dbraw/zinc/96/27/30/958962730.db2.gz	CDFJWXJMIMDBDC-LBPRGKRZSA-N	-1	0	278.268	0.568	20	30		CCEDRM
C[C@@](C#N)(CC(=O)[O-])C(=O)NCc1cnn2ccccc12	ZINC001588541688	958965803	/nfs/dbraw/zinc/96/58/03/958965803.db2.gz	KNMCEHYDEVUCII-AWEZNQCLSA-N	-1	0	286.291	0.955	20	30		CCEDRM
C#CC[C@H](NC(=O)c1cnc2ccccc2n1)C(=O)[O-]	ZINC000149593924	959020017	/nfs/dbraw/zinc/02/00/17/959020017.db2.gz	YKDWJEZJBSHKJE-NSHDSACASA-N	-1	0	269.260	0.836	20	30		CCEDRM
C#CC[C@H](NC(=O)/C=C/c1ccc(O)cc1)C(=O)[O-]	ZINC000149741144	959025545	/nfs/dbraw/zinc/02/55/45/959025545.db2.gz	DLXHBQDATTYGMY-LZGFCCKTSA-N	-1	0	259.261	0.998	20	30		CCEDRM
C#CC[C@@H](NC(=O)c1ccc2n[nH]cc2c1)C(=O)[O-]	ZINC000149737874	959025723	/nfs/dbraw/zinc/02/57/23/959025723.db2.gz	DNEUWVLQJGSGPV-LLVKDONJSA-N	-1	0	257.249	0.769	20	30		CCEDRM
C[C@@](C#N)(CC(=O)[O-])C(=O)NCCOCC1CCC1	ZINC001588558473	959087806	/nfs/dbraw/zinc/08/78/06/959087806.db2.gz	WNCUKOXPAHTZBQ-ZDUSSCGKSA-N	-1	0	268.313	0.924	20	30		CCEDRM
C[C@@H](CC#N)C(=O)Nc1nc2n(c1C(=O)[O-])CCOC2	ZINC001573577691	959337661	/nfs/dbraw/zinc/33/76/61/959337661.db2.gz	YOFAEQHBOGNBBC-ZETCQYMHSA-N	-1	0	278.268	0.600	20	30		CCEDRM
C[C@@H](C(=O)[O-])N(C1CC1)S(=O)(=O)CC1(C#N)CCC1	ZINC001588591483	959343426	/nfs/dbraw/zinc/34/34/26/959343426.db2.gz	OYPVORDNGGUNLU-VIFPVBQESA-N	-1	0	286.353	0.948	20	30		CCEDRM
C[C@@H](C[N@H+](C)Cc1cc(=O)n2[n-]cc(C#N)c2n1)C(=O)[O-]	ZINC001573587890	959374541	/nfs/dbraw/zinc/37/45/41/959374541.db2.gz	AUMIJNGMVUHYKC-QMMMGPOBSA-N	-1	0	289.295	0.459	20	30		CCEDRM
C[C@H](CNC(=O)NCC1(C#N)CCOCC1)C(=O)[O-]	ZINC001573593130	959408791	/nfs/dbraw/zinc/40/87/91/959408791.db2.gz	AGUFWQHVISVHKF-SECBINFHSA-N	-1	0	269.301	0.327	20	30		CCEDRM
C[C@@]1(C#N)CCCN(C(=O)[C@@H]2CC(C(=O)[O-])=NO2)C1	ZINC001573643361	959626730	/nfs/dbraw/zinc/62/67/30/959626730.db2.gz	OGXRXFZQKVFCHL-CABZTGNLSA-N	-1	0	265.269	0.368	20	30		CCEDRM
CCC(CC)(CNC(=O)[C@H](C)n1cnc(C#N)n1)C(=O)[O-]	ZINC001573684643	959744379	/nfs/dbraw/zinc/74/43/79/959744379.db2.gz	AGOWZNHGURAMCG-VIFPVBQESA-N	-1	0	293.327	0.718	20	30		CCEDRM
C=C(C)CN(CC)C(=O)CN1CCSC[C@@H]1C(=O)[O-]	ZINC000215577375	959753086	/nfs/dbraw/zinc/75/30/86/959753086.db2.gz	PLBJWJCIBGHJQL-LLVKDONJSA-N	-1	0	286.397	0.913	20	30		CCEDRM
C[C@@H]1[C@@H](CO)CCN1C(=O)[C@](C)(C#N)CC(=O)[O-]	ZINC001573691302	959784373	/nfs/dbraw/zinc/78/43/73/959784373.db2.gz	VEVAEOMKHCOOSD-LNLATYFQSA-N	-1	0	254.286	0.220	20	30		CCEDRM
C[C@@H]1C[C@@H](C(=O)[O-])CN(c2cnc(C#N)c(C#N)n2)C1	ZINC001573698067	959797014	/nfs/dbraw/zinc/79/70/14/959797014.db2.gz	FMQCOXFSVGTNDD-RKDXNWHRSA-N	-1	0	271.280	0.767	20	30		CCEDRM
COc1cc(C(=O)[O-])ccc1S(=O)(=O)NCCC#N	ZINC000223706430	959839668	/nfs/dbraw/zinc/83/96/68/959839668.db2.gz	VIJCWHFGNBJGMO-UHFFFAOYSA-N	-1	0	284.293	0.585	20	30		CCEDRM
C[C@H]1CCC[C@@](C#N)(NC(=O)c2cn(CC(=O)[O-])nn2)C1	ZINC001573716663	959875356	/nfs/dbraw/zinc/87/53/56/959875356.db2.gz	WBOPLLVXYUHZFP-TVQRCGJNSA-N	-1	0	291.311	0.565	20	30		CCEDRM
C#C[C@@H](CC)NS(=O)(=O)N1CCC(C(=O)[O-])CC1	ZINC000229870857	960098508	/nfs/dbraw/zinc/09/85/08/960098508.db2.gz	WJSRSUVPCSCZGO-JTQLQIEISA-N	-1	0	274.342	0.029	20	30		CCEDRM
COc1cc(CN2CCOC[C@@H]2C(=O)[O-])ccc1C#N	ZINC000234987127	960379591	/nfs/dbraw/zinc/37/95/91/960379591.db2.gz	CCZNDDGEZLRNLD-GFCCVEGCSA-N	-1	0	276.292	0.852	20	30		CCEDRM
CN(C(=O)c1cc(C(=O)[O-])nn1C)c1ccc(C#N)nc1	ZINC001571026758	960443655	/nfs/dbraw/zinc/44/36/55/960443655.db2.gz	NWWZZBFJHHCXKR-UHFFFAOYSA-N	-1	0	285.263	0.662	20	30		CCEDRM
C[C@@H]1CCN(c2cnc(C#N)c(C#N)n2)C[C@H]1C(=O)[O-]	ZINC001573737371	960455040	/nfs/dbraw/zinc/45/50/40/960455040.db2.gz	QAEYTBCPEQRXJO-RKDXNWHRSA-N	-1	0	271.280	0.767	20	30		CCEDRM
COc1nn(C)cc1CNC(=O)[C@@](C)(C#N)CC(=O)[O-]	ZINC001574244851	960487871	/nfs/dbraw/zinc/48/78/71/960487871.db2.gz	WXXFGMNHPVKSQW-GFCCVEGCSA-N	-1	0	280.284	0.049	20	30		CCEDRM
N#Cc1cnc(NCCOCC(=O)[O-])c([N+](=O)[O-])c1	ZINC000236420706	960572614	/nfs/dbraw/zinc/57/26/14/960572614.db2.gz	MXOVBVRVSKIKNB-UHFFFAOYSA-N	-1	0	266.213	0.375	20	30		CCEDRM
N#Cc1ncccc1S(=O)(=O)N[C@H](C(=O)[O-])C1CC1	ZINC000236430717	960588939	/nfs/dbraw/zinc/58/89/39/960588939.db2.gz	JRLPIHHANIRRIL-JTQLQIEISA-N	-1	0	281.293	0.095	20	30		CCEDRM
C[C@@]1(CNC(=O)N2CCC(C#N)(C(=O)[O-])CC2)CCOC1	ZINC001571055369	960715910	/nfs/dbraw/zinc/71/59/10/960715910.db2.gz	AZUFBWYRQMVTGX-ZDUSSCGKSA-N	-1	0	295.339	0.813	20	30		CCEDRM
CC[C@@H](CNC(=O)NCc1nc(C#N)cs1)C(=O)[O-]	ZINC001573798258	960795411	/nfs/dbraw/zinc/79/54/11/960795411.db2.gz	UREKUKGPYFXOHV-ZETCQYMHSA-N	-1	0	282.325	0.925	20	30		CCEDRM
Cc1nsc(N2C[C@H]3COC[C@@]3(C(=O)[O-])C2)c1C#N	ZINC001574444094	961440351	/nfs/dbraw/zinc/44/03/51/961440351.db2.gz	QKUAZRRSWPPYDI-UFBFGSQYSA-N	-1	0	279.321	0.861	20	30		CCEDRM
N#Cc1c(NC(=O)[C@@H]2CC(C(=O)[O-])=NO2)n[nH]c1C1CC1	ZINC001574479604	961652062	/nfs/dbraw/zinc/65/20/62/961652062.db2.gz	LDDFKRDIIWLBBN-QMMMGPOBSA-N	-1	0	289.251	0.327	20	30		CCEDRM
N#CCOc1ccc(NC(=O)[C@H]2CC(C(=O)[O-])=NO2)cc1	ZINC001574480273	961660494	/nfs/dbraw/zinc/66/04/94/961660494.db2.gz	DDGGMLQFYGOPOW-LLVKDONJSA-N	-1	0	289.247	0.757	20	30		CCEDRM
N#Cc1ccc(N[C@@H]2CCCCN(CC(=O)[O-])C2=O)nn1	ZINC001574487791	961688903	/nfs/dbraw/zinc/68/89/03/961688903.db2.gz	HRCWQQWAKJVTPS-SNVBAGLBSA-N	-1	0	289.295	0.226	20	30		CCEDRM
CC(C)C[C@H](CNC(=O)[C@@H](C)n1cnc(C#N)n1)C(=O)[O-]	ZINC001588847118	961893501	/nfs/dbraw/zinc/89/35/01/961893501.db2.gz	BIDNPWXAKISLOD-NXEZZACHSA-N	-1	0	293.327	0.574	20	30		CCEDRM
COC(=O)CCN(CC(=O)[O-])c1nc(C)cc(C#N)n1	ZINC001574061826	962211816	/nfs/dbraw/zinc/21/18/16/962211816.db2.gz	TVGLMWVJPAYQJT-UHFFFAOYSA-N	-1	0	278.268	0.111	20	30		CCEDRM
CC(C)N(CC(=O)[O-])CC(=O)NC1(C#N)CCC1	ZINC001588918236	962354838	/nfs/dbraw/zinc/35/48/38/962354838.db2.gz	WRRJGWSBSUGAIV-UHFFFAOYSA-N	-1	0	253.302	0.344	20	30		CCEDRM
COC[C@]1(C(=O)[O-])CCN(c2cnc(C#N)c(C#N)n2)C1	ZINC001574142286	962587001	/nfs/dbraw/zinc/58/70/01/962587001.db2.gz	UZPYSPNBUSWPEC-ZDUSSCGKSA-N	-1	0	287.279	0.147	20	30		CCEDRM
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C#CCC(C)(C)C(=O)N1C[C@H](C(=O)[O-])C[C@H](O)C1	ZINC001588383785	983384554	/nfs/dbraw/zinc/38/45/54/983384554.db2.gz	KKTULJIASCRCNL-ZJUUUORDSA-N	-1	0	253.298	0.330	20	30		CCEDRM
C#CC[C@H](CO)NC(=O)c1ccsc1CC(=O)[O-]	ZINC001588393524	983398843	/nfs/dbraw/zinc/39/88/43/983398843.db2.gz	GTSMVCWIYXWZES-MRVPVSSYSA-N	-1	0	267.306	0.489	20	30		CCEDRM
C#CC[C@H](NC(=O)C(=O)Nc1c(C)cccc1C)C(=O)[O-]	ZINC001588393699	983399676	/nfs/dbraw/zinc/39/96/76/983399676.db2.gz	FNSJQFMFIINCQK-NSHDSACASA-N	-1	0	288.303	0.835	20	30		CCEDRM
C#CC[C@@H](NC(=O)C(=O)Nc1c(C)cccc1C)C(=O)[O-]	ZINC001588393692	983399971	/nfs/dbraw/zinc/39/99/71/983399971.db2.gz	FNSJQFMFIINCQK-LLVKDONJSA-N	-1	0	288.303	0.835	20	30		CCEDRM
C#CC[C@H](COC)OC(=O)c1cc(C(=O)[O-])ccn1	ZINC001588395868	983406891	/nfs/dbraw/zinc/40/68/91/983406891.db2.gz	UOBBXCFHDIAWMZ-SNVBAGLBSA-N	-1	0	263.249	0.975	20	30		CCEDRM
C#CC[C@H](CCOC)NC(=O)NCC(C)(C)C(=O)[O-]	ZINC001588396606	983409358	/nfs/dbraw/zinc/40/93/58/983409358.db2.gz	YCSFAIBGMRXNJZ-SNVBAGLBSA-N	-1	0	270.329	0.825	20	30		CCEDRM
C#CC[C@@H](NC(=O)[C@H](O)Cc1cccc(OC)c1)C(=O)[O-]	ZINC001588398906	983414265	/nfs/dbraw/zinc/41/42/65/983414265.db2.gz	OGSGUHVPEWHPID-CHWSQXEVSA-N	-1	0	291.303	0.191	20	30		CCEDRM
C#CC[C@@H](NC(=O)C1(CC(C)=O)CCC1)C(=O)[O-]	ZINC001588399953	983417073	/nfs/dbraw/zinc/41/70/73/983417073.db2.gz	ZAVPAYNECIKNEZ-SNVBAGLBSA-N	-1	0	251.282	0.729	20	30		CCEDRM
C#CC[C@@H](NC(=O)CCCCc1cn[nH]n1)C(=O)[O-]	ZINC001588405236	983420529	/nfs/dbraw/zinc/42/05/29/983420529.db2.gz	DYBZTPQXICKQIC-SNVBAGLBSA-N	-1	0	264.285	0.110	20	30		CCEDRM
C#CC[C@H](NC(=O)C[C@@H](C)CC(=O)[O-])C(=O)OC	ZINC001588405900	983423321	/nfs/dbraw/zinc/42/33/21/983423321.db2.gz	KAZFOLJOXMVDOL-BDAKNGLRSA-N	-1	0	255.270	0.168	20	30		CCEDRM
C#CC[C@@H](NC(=O)/C=C\c1cncc(C)c1)C(=O)[O-]	ZINC001588405908	983423460	/nfs/dbraw/zinc/42/34/60/983423460.db2.gz	KHBTZBNEJVWWKW-FOQNGQEVSA-N	-1	0	258.277	0.996	20	30		CCEDRM
C#CC[C@H](NC(=O)CC(C)(C)COC(C)=O)C(=O)[O-]	ZINC001588406238	983424680	/nfs/dbraw/zinc/42/46/80/983424680.db2.gz	OBKIBNLWFISKGF-JTQLQIEISA-N	-1	0	269.297	0.559	20	30		CCEDRM
C#CC[C@H](NC(=O)Cc1n[nH]c(=O)c2ccccc12)C(=O)[O-]	ZINC001588407987	983429809	/nfs/dbraw/zinc/42/98/09/983429809.db2.gz	UAXGHZJWQXJPCQ-NSHDSACASA-N	-1	0	299.286	0.471	20	30		CCEDRM
C#CC[C@@H](NC(=O)c1cccc2c[nH]nc21)C(=O)[O-]	ZINC001588416283	983436704	/nfs/dbraw/zinc/43/67/04/983436704.db2.gz	LVFSOXUDOPNEDX-SNVBAGLBSA-N	-1	0	257.249	0.769	20	30		CCEDRM
C#CCC1(NC(=O)[C@H]2C[C@@H](C)[C@H](C(=O)[O-])O2)CCC1	ZINC001588427533	983456423	/nfs/dbraw/zinc/45/64/23/983456423.db2.gz	BEEKPUWIOMQLQZ-GMTAPVOTSA-N	-1	0	265.309	0.927	20	30		CCEDRM
C#CCC[C@@H](O)CNC(=O)[C@H]1CCCC[C@H]1C(=O)[O-]	ZINC001588435081	983474364	/nfs/dbraw/zinc/47/43/64/983474364.db2.gz	BRRJSNJLRGUCPE-GRYCIOLGSA-N	-1	0	267.325	0.768	20	30		CCEDRM
C#CCCOC(=O)N[C@@H](Cc1cncs1)C(=O)[O-]	ZINC001588455092	983478840	/nfs/dbraw/zinc/47/88/40/983478840.db2.gz	CONUFRBRWWRBMZ-VIFPVBQESA-N	-1	0	268.294	0.888	20	30		CCEDRM
C#CCCS(=O)(=O)N1CCC(C#N)(C(=O)[O-])CC1	ZINC001588457908	983482469	/nfs/dbraw/zinc/48/24/69/983482469.db2.gz	JGMJHIJWXFWAKU-UHFFFAOYSA-N	-1	0	270.310	0.030	20	30		CCEDRM
C#CCCS(=O)(=O)N[C@H](C[C@@H]1CCCOC1)C(=O)[O-]	ZINC001588458296	983483355	/nfs/dbraw/zinc/48/33/55/983483355.db2.gz	MGKFWFJRJADLAA-WDEREUQCSA-N	-1	0	289.353	0.199	20	30		CCEDRM
C#CCN(C)C(=O)C(=O)Nc1ccc(F)c(C(=O)[O-])c1C	ZINC001588461468	983489881	/nfs/dbraw/zinc/48/98/81/983489881.db2.gz	QKTINELVNATEGA-UHFFFAOYSA-N	-1	0	292.266	0.862	20	30		CCEDRM
C#CCN(C)c1nnnn1Cc1cc(C(=O)[O-])c(C)n1C	ZINC001588463732	983491796	/nfs/dbraw/zinc/49/17/96/983491796.db2.gz	ITVYSCQHQINGFG-UHFFFAOYSA-N	-1	0	288.311	0.136	20	30		CCEDRM
C#CCN(CC#N)C(=O)/C=C/c1cc(C(=O)[O-])co1	ZINC001588464815	983494549	/nfs/dbraw/zinc/49/45/49/983494549.db2.gz	MYDCQKWFZQYHFH-ONEGZZNKSA-N	-1	0	258.233	0.976	20	30		CCEDRM
C#CCN(CC#CC)CC(=O)Nc1cccc(C(=O)[O-])n1	ZINC001588464923	983495460	/nfs/dbraw/zinc/49/54/60/983495460.db2.gz	VEFGZRFWGTTYJS-UHFFFAOYSA-N	-1	0	285.303	0.677	20	30		CCEDRM
C#CCNC(=O)[C@@H](C)N[C@H](C)c1ncc(C(=O)[O-])s1	ZINC001588479384	983519076	/nfs/dbraw/zinc/51/90/76/983519076.db2.gz	LUGFTSMGMSDHMK-HTQZYQBOSA-N	-1	0	281.337	0.630	20	30		CCEDRM
C#CCNC(=O)CN[C@](C)(C(=O)[O-])c1ccc(F)cc1	ZINC001588483752	983521731	/nfs/dbraw/zinc/52/17/31/983521731.db2.gz	GVQCRRVZNMUQPD-AWEZNQCLSA-N	-1	0	278.283	0.465	20	30		CCEDRM
C#CCNC(=O)CN(C)[C@@H](C(=O)[O-])c1cccc(OC)c1	ZINC001588483778	983521845	/nfs/dbraw/zinc/52/18/45/983521845.db2.gz	IRFGVGYMOYBBHS-CQSZACIVSA-N	-1	0	290.319	0.502	20	30		CCEDRM
C#CCNC(=S)N1CC[C@](C(=O)[O-])(C(F)(F)F)C1	ZINC001588485525	983525734	/nfs/dbraw/zinc/52/57/34/983525734.db2.gz	VANQFCROJDEQOY-VIFPVBQESA-N	-1	0	280.271	0.833	20	30		CCEDRM
C#CCO[C@@H](C)C(=O)OCc1oncc1C(=O)[O-]	ZINC001588490342	983532120	/nfs/dbraw/zinc/53/21/20/983532120.db2.gz	LFGWNPHCGLGVBZ-ZETCQYMHSA-N	-1	0	253.210	0.454	20	30		CCEDRM
C#CCOc1ccc(CN2CC(O)(C(=O)[O-])C2)cc1	ZINC001588497499	983539115	/nfs/dbraw/zinc/53/91/15/983539115.db2.gz	JYZBQGFHOVZLFK-UHFFFAOYSA-N	-1	0	261.277	0.330	20	30		CCEDRM
C#Cc1ccc(C(=O)N2C[C@@H](F)C[C@H]2C(=O)[O-])cn1	ZINC001588511544	983560183	/nfs/dbraw/zinc/56/01/83/983560183.db2.gz	YBPHLRSJOAIJHM-ONGXEEELSA-N	-1	0	262.240	0.700	20	30		CCEDRM
C#Cc1ccc(N2C(=O)N[C@H](CCC(=O)[O-])C2=O)cc1	ZINC001588517656	983566077	/nfs/dbraw/zinc/56/60/77/983566077.db2.gz	YICVKYIPBSVHFQ-LLVKDONJSA-N	-1	0	272.260	0.958	20	30		CCEDRM
C#Cc1cncc(C(=O)N[C@@H](Cc2c[nH]cn2)C(=O)[O-])c1	ZINC001588528760	983578336	/nfs/dbraw/zinc/57/83/36/983578336.db2.gz	GTUXWKHTTVIUBM-LBPRGKRZSA-N	-1	0	284.275	0.212	20	30		CCEDRM
C=C(Br)CN1CCC[C@@H](O)[C@H]1C(=O)[O-]	ZINC001588529362	983581187	/nfs/dbraw/zinc/58/11/87/983581187.db2.gz	XFIDYEWBUBGSBE-SFYZADRCSA-N	-1	0	264.119	0.805	20	30		CCEDRM
CCN(CC(=O)N[C@@](C)(C#N)C1CC1)C(C)(C)C(=O)[O-]	ZINC001596201984	983587428	/nfs/dbraw/zinc/58/74/28/983587428.db2.gz	OVEPPRPARWACND-AWEZNQCLSA-N	-1	0	281.356	0.980	20	30		CCEDRM
C=C(C)[C@@H]1OCC[C@H]1CNC(=O)[C@H]1C[C@H]1C(=O)[O-]	ZINC001588535999	983591639	/nfs/dbraw/zinc/59/16/39/983591639.db2.gz	NDZKZBLLIOKUEW-MMWGEVLESA-N	-1	0	253.298	0.805	20	30		CCEDRM
C=C(C)C[C@H](NC(=O)[C@@H]1CCCn2ncnc21)C(=O)[O-]	ZINC001588540768	983604733	/nfs/dbraw/zinc/60/47/33/983604733.db2.gz	MMJHKFIQIMVSGQ-ZJUUUORDSA-N	-1	0	278.312	0.691	20	30		CCEDRM
C=C(C)C[C@@H](NC(=O)CCN1CCOC1=O)C(=O)[O-]	ZINC001588540938	983605819	/nfs/dbraw/zinc/60/58/19/983605819.db2.gz	PJQGWDDLFNXDBI-SECBINFHSA-N	-1	0	270.285	0.364	20	30		CCEDRM
C=C(C)C[C@H](NC(=O)CCc1cn[nH]n1)C(=O)[O-]	ZINC001588542497	983608291	/nfs/dbraw/zinc/60/82/91/983608291.db2.gz	IZFYCFVVNVAKNI-VIFPVBQESA-N	-1	0	252.274	0.273	20	30		CCEDRM
C=C(C)C[C@H](NC(=O)CCc1cnn(C)n1)C(=O)[O-]	ZINC001588543181	983611079	/nfs/dbraw/zinc/61/10/79/983611079.db2.gz	YAUSBMFQBOBBKA-JTQLQIEISA-N	-1	0	266.301	0.283	20	30		CCEDRM
C=C(C)C[C@H](NC(=O)[C@@H]1CC[C@H](C(=O)[O-])O1)C(=O)OC	ZINC001588543633	983612015	/nfs/dbraw/zinc/61/20/15/983612015.db2.gz	LRENDDVPZPHVOO-LPEHRKFASA-N	-1	0	285.296	0.243	20	30		CCEDRM
C=C(C)C[C@H](NC(=O)c1cnc(CN)s1)C(=O)[O-]	ZINC001588547511	983620269	/nfs/dbraw/zinc/62/02/69/983620269.db2.gz	DBNINYXBNQTODO-ZETCQYMHSA-N	-1	0	269.326	0.751	20	30		CCEDRM
C=C(C)C[C@H](NC(=O)c1ccnc(OC)n1)C(=O)[O-]	ZINC001588547894	983621771	/nfs/dbraw/zinc/62/17/71/983621771.db2.gz	IJKJLWJBRXFSJZ-VIFPVBQESA-N	-1	0	265.269	0.634	20	30		CCEDRM
C=C(C)C[C@@H](NC(C)=O)C(=O)N1CCO[C@H](CC(=O)[O-])C1	ZINC001588548691	983624828	/nfs/dbraw/zinc/62/48/28/983624828.db2.gz	WTWLCRWWLJTYOJ-VXGBXAGGSA-N	-1	0	298.339	0.159	20	30		CCEDRM
C=C(C)C[C@@H](NS(=O)(=O)c1ccn(C)n1)C(=O)[O-]	ZINC001588555192	983633423	/nfs/dbraw/zinc/63/34/23/983633423.db2.gz	AWOZVETXERJRBP-MRVPVSSYSA-N	-1	0	273.314	0.118	20	30		CCEDRM
C=C(C)C[C@H](NS(=O)(=O)c1cn(CC)cn1)C(=O)[O-]	ZINC001588555303	983634212	/nfs/dbraw/zinc/63/42/12/983634212.db2.gz	DXKLMPMNPCNNRT-VIFPVBQESA-N	-1	0	287.341	0.601	20	30		CCEDRM
C=C(C)C[C@@H](NS(=O)(=O)c1c(C)noc1C)C(=O)[O-]	ZINC001588555818	983637481	/nfs/dbraw/zinc/63/74/81/983637481.db2.gz	TYXWVJJGZZCJTQ-SECBINFHSA-N	-1	0	288.325	0.989	20	30		CCEDRM
C=C(C)CS(=O)(=O)N1CC[C@H](OC)C[C@@H]1C(=O)[O-]	ZINC001588577214	983655692	/nfs/dbraw/zinc/65/56/92/983655692.db2.gz	QTRAGSPJLSNKMA-VHSXEESVSA-N	-1	0	277.342	0.456	20	30		CCEDRM
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CC[C@@](OC)(C(=O)[O-])C1	ZINC001588599187	983688562	/nfs/dbraw/zinc/68/85/62/983688562.db2.gz	HYRBIEGXEZDTMR-MJVIPROJSA-N	-1	0	283.324	0.670	20	30		CCEDRM
C=C(CCC(=O)[O-])C(=O)N(C)[C@@H]1CC(C)(C)OC1=O	ZINC001588606747	983698640	/nfs/dbraw/zinc/69/86/40/983698640.db2.gz	IDASDSGIUGVFMA-SECBINFHSA-N	-1	0	269.297	0.960	20	30		CCEDRM
C=C(CCC(=O)[O-])C(=O)N[C@H]1CC(=O)N(CC)C1	ZINC001588621569	983720187	/nfs/dbraw/zinc/72/01/87/983720187.db2.gz	GSNCJQVTKSZUCM-VIFPVBQESA-N	-1	0	254.286	0.144	20	30		CCEDRM
C=C(CCC(=O)[O-])C(=O)N[C@H](C[C@@H]1CCCO1)C(=O)OC	ZINC001588622198	983722411	/nfs/dbraw/zinc/72/24/11/983722411.db2.gz	RABGJSYDVGFIRD-WDEREUQCSA-N	-1	0	299.323	0.634	20	30		CCEDRM
C=C(CCC(=O)[O-])C(=O)N[C@@H]1CCN(C(C)(C)C)C1=O	ZINC001588622947	983725846	/nfs/dbraw/zinc/72/58/46/983725846.db2.gz	HFLHXJNVNWPCMG-SNVBAGLBSA-N	-1	0	282.340	0.923	20	30		CCEDRM
CCN(CCC#N)S(=O)(=O)N1CCC[C@@]1(C)C(=O)[O-]	ZINC001596299946	983728107	/nfs/dbraw/zinc/72/81/07/983728107.db2.gz	JZEPKOAXSBYREC-NSHDSACASA-N	-1	0	289.357	0.406	20	30		CCEDRM
C=C(CCC(=O)[O-])C(=O)NCCc1cnc(C)cn1	ZINC001588624238	983730688	/nfs/dbraw/zinc/73/06/88/983730688.db2.gz	BMCQSMSMHWKYRB-UHFFFAOYSA-N	-1	0	263.297	0.865	20	30		CCEDRM
C=C(CCC(=O)[O-])C(=O)NCCC(=O)NC(C)(C)C	ZINC001588624598	983733378	/nfs/dbraw/zinc/73/33/78/983733378.db2.gz	PITVVQLAGLADRY-UHFFFAOYSA-N	-1	0	270.329	0.828	20	30		CCEDRM
C=C(CCC(=O)[O-])C(=O)N[C@@H]1COC[C@H]1OCC	ZINC001588630063	983741243	/nfs/dbraw/zinc/74/12/43/983741243.db2.gz	CESXEGBDQXVMPF-NXEZZACHSA-N	-1	0	257.286	0.328	20	30		CCEDRM
C=C(CCC(=O)[O-])C(=O)N[C@@H]1CC[C@H](C(N)=O)C1	ZINC001588630116	983741738	/nfs/dbraw/zinc/74/17/38/983741738.db2.gz	DMCAPSMNGXFPRL-DTWKUNHWSA-N	-1	0	254.286	0.178	20	30		CCEDRM
C=C(CCC(=O)OC)C(=O)N[C@]1(CC(=O)[O-])CCOC1	ZINC001588633032	983747173	/nfs/dbraw/zinc/74/71/73/983747173.db2.gz	GMYZAYAXHYOVTI-ZDUSSCGKSA-N	-1	0	285.296	0.246	20	30		CCEDRM
C=C(CCC(=O)OC)C(=O)NC[C@H](C(=O)[O-])[C@@H]1CCOC1	ZINC001588634038	983751613	/nfs/dbraw/zinc/75/16/13/983751613.db2.gz	VDWBPWJFKBXNPV-MNOVXSKESA-N	-1	0	299.323	0.349	20	30		CCEDRM
C=C(CO)C(=O)N[C@@H](C(=O)[O-])c1ccc(OC)c(O)c1	ZINC001588637166	983758927	/nfs/dbraw/zinc/75/89/27/983758927.db2.gz	JISZWSHRAVCGLV-LLVKDONJSA-N	-1	0	281.264	0.191	20	30		CCEDRM
C=C1C[C@H]2CC[C@@H](C1)N2C(=O)C(=O)N[C@H]1C[C@@H](C(=O)[O-])C1	ZINC001588644480	983769797	/nfs/dbraw/zinc/76/97/97/983769797.db2.gz	XUZXNJFMXJSCPE-BKUVIOGVSA-N	-1	0	292.335	0.675	20	30		CCEDRM
C=C[C@H](C(=O)NCC(=O)NCC(=O)[O-])c1ccccc1	ZINC001588664927	983806530	/nfs/dbraw/zinc/80/65/30/983806530.db2.gz	ZTURVCDLXNCZJI-NSHDSACASA-N	-1	0	276.292	0.273	20	30		CCEDRM
C=CC(C)(C)CCNS(=O)(=O)c1cc(C(=O)[O-])[nH]n1	ZINC001588676925	983832370	/nfs/dbraw/zinc/83/23/70/983832370.db2.gz	KPQLZSJXTIVPRD-UHFFFAOYSA-N	-1	0	287.341	0.989	20	30		CCEDRM
C=C[C@](C)(O)CC(=O)N1C[C@H](C)[C@@](C)(C(=O)[O-])C1	ZINC001588683672	983849897	/nfs/dbraw/zinc/84/98/97/983849897.db2.gz	BPHZDEMNCPREQP-XDTLVQLUSA-N	-1	0	255.314	0.883	20	30		CCEDRM
C=C[C@@](C)(O)CC(=O)N1CCSC[C@H]1CC(=O)[O-]	ZINC001588684655	983862642	/nfs/dbraw/zinc/86/26/42/983862642.db2.gz	WFFMXBAYJRUGLC-BXKDBHETSA-N	-1	0	273.354	0.732	20	30		CCEDRM
C=C[C@H](O)C(=O)N1Cc2cc(O)ccc2C[C@@H]1C(=O)[O-]	ZINC001588701815	983916629	/nfs/dbraw/zinc/91/66/29/983916629.db2.gz	ABDJPODWLTWYGQ-NEPJUHHUSA-N	-1	0	277.276	0.277	20	30		CCEDRM
C=C[C@H](OC(=O)CN1C(=O)[C@H]2CCCC[C@@H]2C1=O)C(=O)[O-]	ZINC001588710402	983931733	/nfs/dbraw/zinc/93/17/33/983931733.db2.gz	AQGPSXRXOWXDGS-GUBZILKMSA-N	-1	0	295.291	0.344	20	30		CCEDRM
C=C[C@H](OC(=O)[C@@H]1CCC[C@@H](C(N)=O)C1)C(=O)[O-]	ZINC001588710567	983932662	/nfs/dbraw/zinc/93/26/62/983932662.db2.gz	FKAKDOUSMWSXNN-HLTSFMKQSA-N	-1	0	255.270	0.461	20	30		CCEDRM
CCN1C[C@H](CN(CC#N)CCC(=O)[O-])OC1=O	ZINC001596395635	983933442	/nfs/dbraw/zinc/93/34/42/983933442.db2.gz	AMQXONKXFDTPJU-VIFPVBQESA-N	-1	0	255.274	0.127	20	30		CCEDRM
C=C[C@H](OC(=O)c1ccc(C(=O)[O-])n1C)C(=O)OCC	ZINC001588712133	983942196	/nfs/dbraw/zinc/94/21/96/983942196.db2.gz	HGKLGBWNZYPWOS-JTQLQIEISA-N	-1	0	281.264	0.998	20	30		CCEDRM
C=C[C@@H](OC(=O)[C@H]1CCc2n[nH]cc2C1)C(=O)[O-]	ZINC001588712358	983943707	/nfs/dbraw/zinc/94/37/07/983943707.db2.gz	VIZQKFQCTRZXEC-OIBJUYFYSA-N	-1	0	250.254	0.697	20	30		CCEDRM
C=C[C@@H](OC(=O)c1cc(C(=O)[O-])nn1C)C(=O)OC	ZINC001588713494	983949288	/nfs/dbraw/zinc/94/92/88/983949288.db2.gz	WWGPXLMGFSOXMQ-MRVPVSSYSA-N	-1	0	268.225	0.003	20	30		CCEDRM
C=CC[C@H](C(=O)[O-])N1CCN(c2nc(N)ns2)CC1	ZINC001588728293	983981300	/nfs/dbraw/zinc/98/13/00/983981300.db2.gz	BYRSDFNLHZWJFL-MRVPVSSYSA-N	-1	0	283.357	0.272	20	30		CCEDRM
C=CC[C@H](C(=O)[O-])N1CCN(CC(F)(F)F)C(=O)C1	ZINC001588730363	983998778	/nfs/dbraw/zinc/99/87/78/983998778.db2.gz	RCJBMCDRBMWESR-MRVPVSSYSA-N	-1	0	280.246	0.722	20	30		CCEDRM
C=CC[C@@H](C)NC(=O)C(=O)Nc1cnn(CC(=O)[O-])c1C	ZINC001588736953	984027818	/nfs/dbraw/zinc/02/78/18/984027818.db2.gz	ZYHOFFWQQKVKQA-MRVPVSSYSA-N	-1	0	294.311	0.295	20	30		CCEDRM
C=CCC(F)(F)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)[O-]	ZINC001588742702	984034055	/nfs/dbraw/zinc/03/40/55/984034055.db2.gz	JGHQTMZOLDVWFC-QMMMGPOBSA-N	-1	0	273.239	0.733	20	30		CCEDRM
C=CC[C@@H](CO)NC(=O)[C@H]1CC[C@@H](CCC(=O)[O-])O1	ZINC001588744576	984044035	/nfs/dbraw/zinc/04/40/35/984044035.db2.gz	PDTUKVHZVJZWBY-GARJFASQSA-N	-1	0	271.313	0.452	20	30		CCEDRM
C=CC[C@H](Nc1ccc(OCC(N)=O)cc1)C(=O)[O-]	ZINC001588750887	984074867	/nfs/dbraw/zinc/07/48/67/984074867.db2.gz	HKAUQLDCPVOVSN-NSHDSACASA-N	-1	0	264.281	0.992	20	30		CCEDRM
C=CC[C@@H](Nc1ccn(CC(=O)N(C)C)n1)C(=O)[O-]	ZINC001588751957	984079188	/nfs/dbraw/zinc/07/91/88/984079188.db2.gz	RUKBFBLQNPEFKA-SECBINFHSA-N	-1	0	266.301	0.413	20	30		CCEDRM
C=CC[C@@H](OC(=O)[C@H](CC)N1CCCC1=O)C(=O)[O-]	ZINC001588752677	984082258	/nfs/dbraw/zinc/08/22/58/984082258.db2.gz	ZIKIWLDZUGMHHJ-VHSXEESVSA-N	-1	0	269.297	0.960	20	30		CCEDRM
C=CC[C@H](OC(=O)[C@H]1CCc2nncn2CC1)C(=O)[O-]	ZINC001588753536	984086824	/nfs/dbraw/zinc/08/68/24/984086824.db2.gz	JDINYADBHLWBRX-UWVGGRQHSA-N	-1	0	279.296	0.803	20	30		CCEDRM
C=CC[C@@H](OC(=O)c1cc(OC)n(C)n1)C(=O)[O-]	ZINC001588755551	984094550	/nfs/dbraw/zinc/09/45/50/984094550.db2.gz	AGKVXVCSNXEVHV-MRVPVSSYSA-N	-1	0	254.242	0.615	20	30		CCEDRM
C=CCCC(=O)N(C)CCNC(=O)[C@@H]1C[C@@H]1C(=O)[O-]	ZINC001588773638	984148395	/nfs/dbraw/zinc/14/83/95/984148395.db2.gz	CHAXYVKQLIZOEF-ZJUUUORDSA-N	-1	0	268.313	0.248	20	30		CCEDRM
C=CCCC[C@H](NC(=O)CCN1CCCC1=O)C(=O)[O-]	ZINC001588788904	984194620	/nfs/dbraw/zinc/19/46/20/984194620.db2.gz	QRBNDRXOFZRRKA-NSHDSACASA-N	-1	0	282.340	0.925	20	30		CCEDRM
C=CCCC[C@@H](NC(=O)[C@@H]1CCCN(C(N)=O)C1)C(=O)[O-]	ZINC001588789325	984197860	/nfs/dbraw/zinc/19/78/60/984197860.db2.gz	AZJKRAFUWJJKEP-GHMZBOCLSA-N	-1	0	297.355	0.703	20	30		CCEDRM
C=CCCC[C@H](NC(=O)[C@@H]1CSC(=O)N1)C(=O)[O-]	ZINC001588789631	984199772	/nfs/dbraw/zinc/19/97/72/984199772.db2.gz	GSKLVERSKHEPTL-YUMQZZPRSA-N	-1	0	272.326	0.737	20	30		CCEDRM
C=CCCCCNC(=O)C(=O)NC[C@H]1C[C@H]1C(=O)[O-]	ZINC001588802446	984249524	/nfs/dbraw/zinc/24/95/24/984249524.db2.gz	MRXVBEHJQRUKMD-NXEZZACHSA-N	-1	0	268.313	0.296	20	30		CCEDRM
C=CCCCCNC(=O)N1C[C@@H](C(=O)[O-])[C@H](C(=O)OC)C1	ZINC001588802501	984250181	/nfs/dbraw/zinc/25/01/81/984250181.db2.gz	PLIFSSYRKDQHJI-GHMZBOCLSA-N	-1	0	298.339	0.858	20	30		CCEDRM
C=CCCn1cc([C@@H]2NC(=O)NC(C)=C2C(=O)[O-])nn1	ZINC001588817235	984275386	/nfs/dbraw/zinc/27/53/86/984275386.db2.gz	GMGFUQIYSBXDTH-JTQLQIEISA-N	-1	0	277.284	0.567	20	30		CCEDRM
C=CCN1CC[C@H](N(C)C(=O)[C@H](CC)C(=O)[O-])C1=O	ZINC001588836624	984328906	/nfs/dbraw/zinc/32/89/06/984328906.db2.gz	CURLHWXOLHHAMD-UWVGGRQHSA-N	-1	0	268.313	0.343	20	30		CCEDRM
C=CCN1CC[C@@H](OC(=O)CCCC(=O)[O-])C1=O	ZINC001588838874	984342561	/nfs/dbraw/zinc/34/25/61/984342561.db2.gz	KRVYLHRZKGXHDO-SECBINFHSA-N	-1	0	255.270	0.571	20	30		CCEDRM
C=CCNC(=O)N1CCC(n2cc(C(=O)[O-])nn2)CC1	ZINC001588844634	984359284	/nfs/dbraw/zinc/35/92/84/984359284.db2.gz	NLKMJVCHGGCFBJ-UHFFFAOYSA-N	-1	0	279.300	0.509	20	30		CCEDRM
C=CCNc1ncc(C(=O)N[C@@](C)(COC)C(=O)[O-])s1	ZINC001588849510	984372241	/nfs/dbraw/zinc/37/22/41/984372241.db2.gz	VZVRJAGCHMXWDE-LBPRGKRZSA-N	-1	0	299.352	0.961	20	30		CCEDRM
C=CCO[C@H]1CCN(S(=O)(=O)CC(C)(C)C(=O)[O-])C1	ZINC001588849735	984374666	/nfs/dbraw/zinc/37/46/66/984374666.db2.gz	HNYBOMHQTTVTBO-JTQLQIEISA-N	-1	0	291.369	0.704	20	30		CCEDRM
C=CCOCC(=O)N1CCCC[C@]1(COC)C(=O)[O-]	ZINC001588849833	984375782	/nfs/dbraw/zinc/37/57/82/984375782.db2.gz	LHVCRGYWRVVOKC-ZDUSSCGKSA-N	-1	0	271.313	0.671	20	30		CCEDRM
C=CCO[C@H]1CCN(C(=O)Nc2nn(C)cc2C(=O)[O-])C1	ZINC001588849935	984376696	/nfs/dbraw/zinc/37/66/96/984376696.db2.gz	PNVFQRXUYMPHQB-VIFPVBQESA-N	-1	0	294.311	0.927	20	30		CCEDRM
C=CCOCC(=O)NCc1ccnc(C(=O)[O-])c1	ZINC001588850706	984379371	/nfs/dbraw/zinc/37/93/71/984379371.db2.gz	ADXZGVGZGIVATG-UHFFFAOYSA-N	-1	0	250.254	0.599	20	30		CCEDRM
C=CCOC[C@H](NC(=O)[C@@](C)(OC)C1CC1)C(=O)[O-]	ZINC001588851046	984382536	/nfs/dbraw/zinc/38/25/36/984382536.db2.gz	QROXALFRFZVJEN-GWCFXTLKSA-N	-1	0	271.313	0.574	20	30		CCEDRM
C=CCOC[C@H](NC(=O)C(=O)c1ccc(F)cc1)C(=O)[O-]	ZINC001588851158	984383552	/nfs/dbraw/zinc/38/35/52/984383552.db2.gz	WXQUVLDOHRKVOJ-NSHDSACASA-N	-1	0	295.266	0.780	20	30		CCEDRM
C=CCOC[C@@H](NC(=O)c1c(C)onc1CC)C(=O)[O-]	ZINC001588856495	984400982	/nfs/dbraw/zinc/40/09/82/984400982.db2.gz	KOKWLBYUPRHLBA-SNVBAGLBSA-N	-1	0	282.296	0.931	20	30		CCEDRM
C=CCOC[C@@H](NC(=O)Cc1cnn(C)c1C)C(=O)[O-]	ZINC001588856643	984401478	/nfs/dbraw/zinc/40/14/78/984401478.db2.gz	OGCPARCXQVDQNF-LLVKDONJSA-N	-1	0	281.312	0.043	20	30		CCEDRM
C=CCOC[C@@H](NC(=O)C1=CC(=O)CS1)C(=O)[O-]	ZINC001588859349	984405111	/nfs/dbraw/zinc/40/51/11/984405111.db2.gz	IRXUXBNIDPWYBX-MRVPVSSYSA-N	-1	0	271.294	0.839	20	30		CCEDRM
C=CCOC[C@H](NC(=O)c1cnc(OCC)cn1)C(=O)[O-]	ZINC001588860293	984412189	/nfs/dbraw/zinc/41/21/89/984412189.db2.gz	POIWWHDDIGMEBD-JTQLQIEISA-N	-1	0	295.295	0.261	20	30		CCEDRM
C=CCOC[C@@H](NC(=O)c1ocnc1CC)C(=O)[O-]	ZINC001588860563	984414108	/nfs/dbraw/zinc/41/41/08/984414108.db2.gz	YMTCBQBMGMGJHA-SECBINFHSA-N	-1	0	268.269	0.623	20	30		CCEDRM
C=CCOCCCC(=O)O[C@@H]1C[C@H](C(=O)[O-])N(C)C1	ZINC001588866526	984425599	/nfs/dbraw/zinc/42/55/99/984425599.db2.gz	JOVXIENVGWVRGE-GHMZBOCLSA-N	-1	0	271.313	0.670	20	30		CCEDRM
C=CCOC[C@@H](NS(=O)(=O)CCC(C)(C)C)C(=O)[O-]	ZINC001588866482	984425731	/nfs/dbraw/zinc/42/57/31/984425731.db2.gz	NFKFAWDVUWQIAP-SNVBAGLBSA-N	-1	0	293.385	0.998	20	30		CCEDRM
C=CCOC[C@@H]1NC(=O)N(CCCCC(=O)[O-])C1=O	ZINC001588866943	984429013	/nfs/dbraw/zinc/42/90/13/984429013.db2.gz	UGOSRMSJAOEAMU-VIFPVBQESA-N	-1	0	270.285	0.364	20	30		CCEDRM
C=CCOCCCC(=O)N[C@@]1(C(=O)[O-])C[C@@H](O)C1	ZINC001588867093	984430519	/nfs/dbraw/zinc/43/05/19/984430519.db2.gz	XBRKWPHVPKFXLW-WVSHTKLVSA-N	-1	0	257.286	0.064	20	30		CCEDRM
C=CCOCCn1nnnc1N1C[C@H](C)[C@@](C)(C(=O)[O-])C1	ZINC001588868869	984435951	/nfs/dbraw/zinc/43/59/51/984435951.db2.gz	YKXAQGCPRLQHGU-GWCFXTLKSA-N	-1	0	295.343	0.423	20	30		CCEDRM
C=CCn1c(C(C)C)nnc1N1CCO[C@@H](C(=O)[O-])C1	ZINC001588896928	984505677	/nfs/dbraw/zinc/50/56/77/984505677.db2.gz	VSTLRTRRRJPBDF-SNVBAGLBSA-N	-1	0	280.328	0.877	20	30		CCEDRM
C=CCn1c(COC)nnc1N1CC[C@](OC)(C(=O)[O-])C1	ZINC001588900627	984521238	/nfs/dbraw/zinc/52/12/38/984521238.db2.gz	IXDZLRJXQWRPJO-CYBMUJFWSA-N	-1	0	296.327	0.290	20	30		CCEDRM
C=CCn1cc(C(=O)OCCCC(=O)C(=O)[O-])nn1	ZINC001588909497	984544748	/nfs/dbraw/zinc/54/47/48/984544748.db2.gz	WQTOWKDZVNKBBA-UHFFFAOYSA-N	-1	0	267.241	0.055	20	30		CCEDRM
C=CCn1cc(C(=O)Nc2cccc(CC(=O)[O-])n2)nn1	ZINC001588910014	984546644	/nfs/dbraw/zinc/54/66/44/984546644.db2.gz	GVLGCWFUWRWERZ-UHFFFAOYSA-N	-1	0	287.279	0.739	20	30		CCEDRM
C=CCn1nnnc1N1CCC(CC(=O)[O-])CC1	ZINC001588913144	984555040	/nfs/dbraw/zinc/55/50/40/984555040.db2.gz	ZSJARULSPMALFU-UHFFFAOYSA-N	-1	0	251.290	0.550	20	30		CCEDRM
C=C[C@@H]1OCCC[C@H]1NC(=O)Nc1cc(C(=O)[O-])n(C)n1	ZINC001588914468	984558512	/nfs/dbraw/zinc/55/85/12/984558512.db2.gz	XONQHCRIGXCCAM-SCZZXKLOSA-N	-1	0	294.311	0.973	20	30		CCEDRM
C=C[C@@H]1OCC[C@H]1C(=O)N1CCSC[C@@H]1C(=O)[O-]	ZINC001588917265	984565862	/nfs/dbraw/zinc/56/58/62/984565862.db2.gz	SVRPNCLMWBXOJV-BBBLOLIVSA-N	-1	0	271.338	0.606	20	30		CCEDRM
C=C[C@@H]1OCC[C@H]1NC(=O)NC[C@H]1C[C@H]1C(=O)[O-]	ZINC001588919695	984573563	/nfs/dbraw/zinc/57/35/63/984573563.db2.gz	JAPIAQYLNPBGGS-KYXWUPHJSA-N	-1	0	254.286	0.350	20	30		CCEDRM
CC#CC[C@@H](CO)NC(=O)c1cccc(C(=O)[O-])n1	ZINC001588926097	984590764	/nfs/dbraw/zinc/59/07/64/984590764.db2.gz	IRDKUZXDHCQPDS-VIFPVBQESA-N	-1	0	262.265	0.284	20	30		CCEDRM
CC#CCN(C)S(=O)(=O)CC1(C(=O)[O-])CCCC1	ZINC001588930834	984599388	/nfs/dbraw/zinc/59/93/88/984599388.db2.gz	BJFSPIAJCOZNOE-UHFFFAOYSA-N	-1	0	273.354	0.916	20	30		CCEDRM
CC#CCN(C)S(=O)(=O)c1cc(C(=O)[O-])no1	ZINC001588931136	984601424	/nfs/dbraw/zinc/60/14/24/984601424.db2.gz	MAZJYEQXCHRMRW-UHFFFAOYSA-N	-1	0	258.255	0.017	20	30		CCEDRM
CC#CCCOC(=O)Cn1cccc(C(=O)[O-])c1=O	ZINC001588931120	984601473	/nfs/dbraw/zinc/60/14/73/984601473.db2.gz	LIIGBDMBEIADGE-UHFFFAOYSA-N	-1	0	263.249	0.503	20	30		CCEDRM
C/C(=C/CN1CCN(C(=O)CC#N)CC1)C(=O)[O-]	ZINC001588961129	984735092	/nfs/dbraw/zinc/73/50/92/984735092.db2.gz	ICELKGDPFYJNNQ-KMKOMSMNSA-N	-1	0	251.286	0.075	20	30		CCEDRM
C/C(=C\CNC(=O)N1C[C@@H](C)N(CC#N)[C@@H](C)C1)C(=O)[O-]	ZINC001588969802	984783194	/nfs/dbraw/zinc/78/31/94/984783194.db2.gz	XRLIGBDDQOBBPE-OBVNTCLNSA-N	-1	0	294.355	0.645	20	30		CCEDRM
CCOC(=O)c1c(C)n[nH]c1CN(CC#N)CC(=O)[O-]	ZINC001596696626	984838781	/nfs/dbraw/zinc/83/87/81/984838781.db2.gz	KSNUBTQLVWBCHD-UHFFFAOYSA-N	-1	0	280.284	0.305	20	30		CCEDRM
CCOC[C@H](C(=O)[O-])N(C)C(=O)CC1(C#N)CCOCC1	ZINC001596873211	985717355	/nfs/dbraw/zinc/71/73/55/985717355.db2.gz	WTIDZOOTJCWZNF-LLVKDONJSA-N	-1	0	298.339	0.645	20	30		CCEDRM
CCOC[C@H](C(=O)[O-])N(C)CC(=O)N[C@](C)(C#N)C(C)C	ZINC001596877484	985735783	/nfs/dbraw/zinc/73/57/83/985735783.db2.gz	OGKRJUVTVXZOCV-BXUZGUMPSA-N	-1	0	299.371	0.462	20	30		CCEDRM
CCOC[C@H](C(=O)[O-])N(C)Cc1ccncc1C#N	ZINC001596885321	985787369	/nfs/dbraw/zinc/78/73/69/985787369.db2.gz	WQMOLRYYKBREEF-GFCCVEGCSA-N	-1	0	263.297	0.875	20	30		CCEDRM
Cc1c(C(=O)N(CC(=O)[O-])C2CC2)cnn1CCC#N	ZINC001599974196	986062056	/nfs/dbraw/zinc/06/20/56/986062056.db2.gz	CTBSKNAUAMCKEF-UHFFFAOYSA-N	-1	0	276.296	0.794	20	30		CCEDRM
Cc1c(C(=O)NC2(CC(=O)[O-])CC2)cnn1CCC#N	ZINC001599979091	986136407	/nfs/dbraw/zinc/13/64/07/986136407.db2.gz	CACSGFKYWVLTQD-UHFFFAOYSA-N	-1	0	276.296	0.842	20	30		CCEDRM
Cc1c(C(=O)NCCSCC(=O)[O-])cnn1CCC#N	ZINC001599980305	986153414	/nfs/dbraw/zinc/15/34/14/986153414.db2.gz	ILDLVQXVUDNEDL-UHFFFAOYSA-N	-1	0	296.352	0.653	20	30		CCEDRM
C[C@H](C#N)C(=O)N[C@@H]1CCOC2(CC(C(=O)[O-])C2)C1	ZINC001589328396	986156420	/nfs/dbraw/zinc/15/64/20/986156420.db2.gz	AVOFTNRXSATGSY-SUIRZZFNSA-N	-1	0	266.297	0.675	20	30		CCEDRM
C[C@H](C#N)CN(C)C(=O)C(=O)Nc1ccc(C(=O)[O-])cc1	ZINC001589329754	986165880	/nfs/dbraw/zinc/16/58/80/986165880.db2.gz	ROJBYCAHVPBJJN-SECBINFHSA-N	-1	0	289.291	0.941	20	30		CCEDRM
C[C@H](C#N)C(=O)N[C@](C)(Cn1cccn1)C(=O)[O-]	ZINC001589330112	986170279	/nfs/dbraw/zinc/17/02/79/986170279.db2.gz	YNPXVGDHRVJCQZ-LDYMZIIASA-N	-1	0	250.258	0.002	20	30		CCEDRM
C[C@@H](C#N)CNC(=O)Nc1cc(C(=O)[O-])nn1C	ZINC001589330490	986173358	/nfs/dbraw/zinc/17/33/58/986173358.db2.gz	HDUQIDSSKZGNNL-LURJTMIESA-N	-1	0	251.246	0.399	20	30		CCEDRM
C[C@H](C#N)CNS(=O)(=O)c1cccc(F)c1C(=O)[O-]	ZINC001589331017	986181595	/nfs/dbraw/zinc/18/15/95/986181595.db2.gz	YKVDMWWDGHQUGQ-SSDOTTSWSA-N	-1	0	286.284	0.962	20	30		CCEDRM
C[C@H](C#N)OCCOC(=O)c1ccc(C(=O)[O-])[nH]1	ZINC001589331494	986186657	/nfs/dbraw/zinc/18/66/57/986186657.db2.gz	GJRBTOQEXLRXMT-SSDOTTSWSA-N	-1	0	252.226	0.798	20	30		CCEDRM
C[C@H](C(=O)N1CCCCC1)N(CC#N)CCC(=O)[O-]	ZINC001589358680	986349367	/nfs/dbraw/zinc/34/93/67/986349367.db2.gz	CTVIGJQDXFCHON-LLVKDONJSA-N	-1	0	267.329	0.688	20	30		CCEDRM
C[C@@H]1Cc2cn[nH]c2[C@@H](C(=O)N(CC#N)CC(=O)[O-])C1	ZINC001594623436	986675658	/nfs/dbraw/zinc/67/56/58/986675658.db2.gz	CLTPXBKOXPFPAF-SCZZXKLOSA-N	-1	0	276.296	0.512	20	30		CCEDRM
C[C@@H](C(=O)[O-])n1cccc1C=NNCC(C)(C)O	ZINC001589539891	987238312	/nfs/dbraw/zinc/23/83/12/987238312.db2.gz	MQYPTVRGJNMWKF-VIFPVBQESA-N	-1	0	253.302	0.828	20	30		CCEDRM
CSC[C@](C)(C#N)NC(=O)c1cc(C(=O)[O-])on1	ZINC001599789197	987977725	/nfs/dbraw/zinc/97/77/25/987977725.db2.gz	BTASZJTVMIRYLO-JTQLQIEISA-N	-1	0	269.282	0.748	20	30		CCEDRM
C[C@@H](O)[C@H](NC(=O)Cc1ccccc1CC#N)C(=O)[O-]	ZINC001599843734	988897460	/nfs/dbraw/zinc/89/74/60/988897460.db2.gz	MYGHDMHKZUTCLF-RNCFNFMXSA-N	-1	0	276.292	0.245	20	30		CCEDRM
C[C@@H]1CN(C(=O)CCCCC#N)C[C@@H](C(=O)[O-])O1	ZINC001599853074	989044387	/nfs/dbraw/zinc/04/43/87/989044387.db2.gz	DTXZKIOWGHPRFN-ZJUUUORDSA-N	-1	0	254.286	0.771	20	30		CCEDRM
CCn1cc(Cl)c(C(=O)N(CC#N)CCC(=O)[O-])n1	ZINC001597890688	989745333	/nfs/dbraw/zinc/74/53/33/989745333.db2.gz	OBLXHXDDLZBWGL-UHFFFAOYSA-N	-1	0	284.703	0.997	20	30		CCEDRM
CN(C(=O)Cc1ccc(C#N)nc1)[C@H]1C[C@@H](C(=O)[O-])C1	ZINC001598034734	990261400	/nfs/dbraw/zinc/26/14/00/990261400.db2.gz	VQLDUALKRLXJIY-KLPPZKSPSA-N	-1	0	273.292	0.817	20	30		CCEDRM
CN(C)C[C@](C)(C#N)NC(=O)c1csc(C(=O)[O-])n1	ZINC001598199571	990808387	/nfs/dbraw/zinc/80/83/87/990808387.db2.gz	LBMAGITWOHGHOS-NSHDSACASA-N	-1	0	282.325	0.415	20	30		CCEDRM
CN(C)c1cnn(Cc2cccc(C(=O)[O-])c2C#N)c(=O)c1	ZINC001598348885	991440090	/nfs/dbraw/zinc/44/00/90/991440090.db2.gz	JSLLCZCXEYKCLU-UHFFFAOYSA-N	-1	0	298.302	0.927	20	30		CCEDRM
CN(CCC#N)C(=O)C(=O)Nc1ccccc1C(=O)[O-]	ZINC001598468377	991986212	/nfs/dbraw/zinc/98/62/12/991986212.db2.gz	LTSNPBOJTBRBFR-UHFFFAOYSA-N	-1	0	275.264	0.695	20	30		CCEDRM
CC(C)CN(CC(=O)[O-])Cn1cccc(C#N)c1=O	ZINC001591303327	992252921	/nfs/dbraw/zinc/25/29/21/992252921.db2.gz	VJAATYGYOFUNKZ-UHFFFAOYSA-N	-1	0	263.297	0.720	20	30		CCEDRM
CC(C)C[C@H](NC(=O)CNc1cc(C#N)ncn1)C(=O)[O-]	ZINC001591462134	992572622	/nfs/dbraw/zinc/57/26/22/992572622.db2.gz	DOQYFDTWLVGNIL-JTQLQIEISA-N	-1	0	291.311	0.376	20	30		CCEDRM
C[C@@](NC(=O)c1cccc(C#N)n1)(C(=O)[O-])C1CC1	ZINC001593175523	994046936	/nfs/dbraw/zinc/04/69/36/994046936.db2.gz	PGLXZXDADHMSRL-ZDUSSCGKSA-N	-1	0	259.265	0.936	20	30		CCEDRM
CN1CN([C@H](C(=O)[O-])c2ccc(C#N)cc2)CC1=O	ZINC001598628160	994131511	/nfs/dbraw/zinc/13/15/11/994131511.db2.gz	LSFBQRSNSWTFDF-LBPRGKRZSA-N	-1	0	259.265	0.415	20	30		CCEDRM
CNC(=O)[C@@H]1CCC[C@H]1Nc1ccc(C(=O)[O-])nc1C#N	ZINC001598635889	994247350	/nfs/dbraw/zinc/24/73/50/994247350.db2.gz	PYKBECXDSBLEQU-RKDXNWHRSA-N	-1	0	288.307	0.978	20	30		CCEDRM
COC(=O)[C@@H](CCC(=O)[O-])N1CCC(C#N)CC1	ZINC001598699168	995192927	/nfs/dbraw/zinc/19/29/27/995192927.db2.gz	XALNDYJIWGOCIE-SNVBAGLBSA-N	-1	0	254.286	0.628	20	30		CCEDRM
COC(=O)[C@H]1C[C@@H](C(=O)[O-])CCN1C(=O)C#CC1CC1	ZINC001598739642	995556743	/nfs/dbraw/zinc/55/67/43/995556743.db2.gz	CJENPHQSOVFEAB-WDEREUQCSA-N	-1	0	279.292	0.265	20	30		CCEDRM
C[C@@H](c1nc(C(=O)[O-])co1)N1CCN(CCC#N)CC1	ZINC001593730487	996295127	/nfs/dbraw/zinc/29/51/27/996295127.db2.gz	OOLBEQDSOSNACI-JTQLQIEISA-N	-1	0	278.312	0.965	20	30		CCEDRM
CC1(C#N)CN(C(=O)CCCn2ccc(C(=O)[O-])n2)C1	ZINC001593742523	996360676	/nfs/dbraw/zinc/36/06/76/996360676.db2.gz	ACKJELHRDBTCRC-UHFFFAOYSA-N	-1	0	276.296	0.734	20	30		CCEDRM
C[C@@]1(C#N)CN(C(=O)c2ccc(C(=O)[O-])[nH]2)CCO1	ZINC001593742603	996361361	/nfs/dbraw/zinc/36/13/61/996361361.db2.gz	BQYOVYHGZLHXHT-GFCCVEGCSA-N	-1	0	263.253	0.468	20	30		CCEDRM
C[C@@]1(C#N)CCCN([C@@H]2CCN(CCC(=O)[O-])C2=O)C1	ZINC001593743082	996365582	/nfs/dbraw/zinc/36/55/82/996365582.db2.gz	OWEMPKHATADZIJ-RISCZKNCSA-N	-1	0	279.340	0.688	20	30		CCEDRM
C[C@]1(C(=O)[O-])CCN(C(=O)c2cc(C#N)ccn2)C1	ZINC001593792665	996510054	/nfs/dbraw/zinc/51/00/54/996510054.db2.gz	WNMCBZODACAZNW-ZDUSSCGKSA-N	-1	0	259.265	0.890	20	30		CCEDRM
CC1(C(=O)[O-])CN(C(=O)c2cccc(C#CCO)c2)C1	ZINC001593804955	996533528	/nfs/dbraw/zinc/53/35/28/996533528.db2.gz	OEBVRVWFRYGRLI-UHFFFAOYSA-N	-1	0	273.288	0.577	20	30		CCEDRM
COC(=O)CCN(CC#N)Cc1cccc(C(=O)[O-])n1	ZINC001598855843	996638207	/nfs/dbraw/zinc/63/82/07/996638207.db2.gz	YWNRLSOEIDQJBO-UHFFFAOYSA-N	-1	0	277.280	0.668	20	30		CCEDRM
COC(=O)CC[C@@H](NC(=O)[C@H](C)CC#N)C(=O)[O-]	ZINC001598856011	996639083	/nfs/dbraw/zinc/63/90/83/996639083.db2.gz	QHSJMPBGXOSKPI-HTQZYQBOSA-N	-1	0	256.258	0.059	20	30		CCEDRM
COC(=O)CSc1ccc(C(=O)[O-])nc1C#N	ZINC001598867887	996719171	/nfs/dbraw/zinc/71/91/71/996719171.db2.gz	DWAGGFXUVWMQQU-UHFFFAOYSA-N	-1	0	252.251	0.917	20	30		CCEDRM
CO[C@@]1(C(=O)[O-])CCN(C(=O)c2sccc2C#N)C1	ZINC001599076298	996875757	/nfs/dbraw/zinc/87/57/57/996875757.db2.gz	LCLWPXMHKPLGRA-LBPRGKRZSA-N	-1	0	280.305	0.935	20	30		CCEDRM
CO[C@]1(C(=O)[O-])CCN(C[C@@H](C#N)CCC#N)C1	ZINC001599076976	996895841	/nfs/dbraw/zinc/89/58/41/996895841.db2.gz	CGUFGLQRMLOOIS-ZYHUDNBSSA-N	-1	0	251.286	0.605	20	30		CCEDRM
COC[C@@H](OC(=O)c1ccc(C=NOC)cc1)C(=O)[O-]	ZINC001599182702	996972228	/nfs/dbraw/zinc/97/22/28/996972228.db2.gz	HTNOAISDRKODDI-LLVKDONJSA-N	-1	0	281.264	0.923	20	30		CCEDRM
COC(=O)[C@@H](CCC(=O)[O-])NC(=O)C#CC(C)(C)C	ZINC001598892048	997009884	/nfs/dbraw/zinc/00/98/84/997009884.db2.gz	ZPHLJNJXSDJHFK-SECBINFHSA-N	-1	0	269.297	0.559	20	30		CCEDRM
COCc1ncsc1C(=O)N(CC#N)CCC(=O)[O-]	ZINC001599305261	997302288	/nfs/dbraw/zinc/30/22/88/997302288.db2.gz	MIHMDRBTEPRFAE-UHFFFAOYSA-N	-1	0	283.309	0.730	20	30		CCEDRM
COc1cc(CN2CCC[C@H](O)[C@@H]2C(=O)[O-])ccc1C#N	ZINC001599406827	997322257	/nfs/dbraw/zinc/32/22/57/997322257.db2.gz	DEZRNRNKQHNLEE-GXTWGEPZSA-N	-1	0	290.319	0.977	20	30		CCEDRM
COCc1noc([C@@H](C)N(CC#N)CCC(=O)[O-])n1	ZINC001599308588	997371086	/nfs/dbraw/zinc/37/10/86/997371086.db2.gz	QUGNGHFKRCSDMK-MRVPVSSYSA-N	-1	0	268.273	0.577	20	30		CCEDRM
COCC[C@@H](NC(=O)CNc1ccc(C#N)cc1)C(=O)[O-]	ZINC001599215166	997570144	/nfs/dbraw/zinc/57/01/44/997570144.db2.gz	QFNXOJHTGIECBI-GFCCVEGCSA-N	-1	0	291.307	0.576	20	30		CCEDRM
CON=CC(=O)Nc1cc(C(=O)[O-])cc(OC)c1O	ZINC001599320478	997572515	/nfs/dbraw/zinc/57/25/15/997572515.db2.gz	HNEALDHGKIJOON-UHFFFAOYSA-N	-1	0	268.225	0.670	20	30		CCEDRM
CON=CC(=O)N(C)Cc1cc(C(=O)[O-])c(C)o1	ZINC001599321074	997582657	/nfs/dbraw/zinc/58/26/57/997582657.db2.gz	ZJGPCXYLIIVAOR-UHFFFAOYSA-N	-1	0	254.242	0.877	20	30		CCEDRM
CON=CC(=O)NCCc1ccc(C(=O)[O-])cc1OC	ZINC001599321100	997582757	/nfs/dbraw/zinc/58/27/57/997582757.db2.gz	ZXUKRQMBUGIMDO-UHFFFAOYSA-N	-1	0	280.280	0.684	20	30		CCEDRM
COCC[C@@H](NC(=O)c1sccc1C#N)C(=O)[O-]	ZINC001599219399	997639466	/nfs/dbraw/zinc/63/94/66/997639466.db2.gz	YBZVIUOAQOISRG-MRVPVSSYSA-N	-1	0	268.294	0.839	20	30		CCEDRM
CO[C@H]1CCN(CC(=O)NC2(C#N)CCC2)[C@H](C(=O)[O-])C1	ZINC001599121488	997746336	/nfs/dbraw/zinc/74/63/36/997746336.db2.gz	ANUOTYXAVSRBNZ-QWRGUYRKSA-N	-1	0	295.339	0.113	20	30		CCEDRM
COCC#CC(=O)Nc1ccn(C(C)(C)C(=O)[O-])n1	ZINC001599138803	998090837	/nfs/dbraw/zinc/09/08/37/998090837.db2.gz	PNFRWJOBBKPKRP-UHFFFAOYSA-N	-1	0	265.269	0.291	20	30		CCEDRM
COC[C@@](C)(NC(=O)c1ccc(C#N)cc1F)C(=O)[O-]	ZINC001599152131	998312396	/nfs/dbraw/zinc/31/23/96/998312396.db2.gz	DJCQKAIAGNZMLX-CYBMUJFWSA-N	-1	0	280.255	0.917	20	30		CCEDRM
C[C@H]1C(=O)N(N=Cc2ccc(C(=O)[O-])cn2)C(=O)N1C	ZINC001594130123	998338533	/nfs/dbraw/zinc/33/85/33/998338533.db2.gz	YWHSIGDGDKVGIS-ZETCQYMHSA-N	-1	0	276.252	0.396	20	30		CCEDRM
COC(C)(C)CNC(=O)N1CCC(C#N)(C(=O)[O-])CC1	ZINC001599032686	999062085	/nfs/dbraw/zinc/06/20/85/999062085.db2.gz	DIBWMCNANVBBDD-UHFFFAOYSA-N	-1	0	283.328	0.811	20	30		CCEDRM
C=CCN(C(=O)c1cnc([O-])n(C)c1=O)[C@H](C)COC	ZINC000617580150	365686293	/nfs/dbraw/zinc/68/62/93/365686293.db2.gz	RCULWDUKJPCBLA-SECBINFHSA-N	-1	0	281.312	0.149	20	30		CCEDRM
C=CCn1c(=N)[n-]nc1SC[C@H](O)CC(=O)OCC	ZINC000600520728	362001907	/nfs/dbraw/zinc/00/19/07/362001907.db2.gz	GNYRRFUHBNXIPJ-MRVPVSSYSA-N	-1	0	286.357	0.283	20	30		CCEDRM
C=C(C)[C@H]1OCC[C@@H]1CNC(=O)CSCC(=O)[O-]	ZINC000600871092	362084003	/nfs/dbraw/zinc/08/40/03/362084003.db2.gz	AWMPJMNSRRTDOS-BXKDBHETSA-N	-1	0	273.354	0.902	20	30		CCEDRM
C[C@@H](C#N)CN(C)S(=O)(=O)N1CCCC[C@@H]1C(=O)[O-]	ZINC000037838474	295693540	/nfs/dbraw/zinc/69/35/40/295693540.db2.gz	ULEREDQXMKQONX-VHSXEESVSA-N	-1	0	289.357	0.262	20	30		CCEDRM
C[C@H](C(=O)N=c1[nH][n-]cc1C#N)N1CCSCC1	ZINC000601638359	362336412	/nfs/dbraw/zinc/33/64/12/362336412.db2.gz	HDHGCSMCPQCDRP-MRVPVSSYSA-N	-1	0	265.342	0.079	20	30		CCEDRM
C=CCn1cc(CNC(=O)[C@H](C)S[C@@H](C)C(=O)[O-])nn1	ZINC000601998419	362454081	/nfs/dbraw/zinc/45/40/81/362454081.db2.gz	JKXAESCDIBCJRM-IUCAKERBSA-N	-1	0	298.368	0.675	20	30		CCEDRM
C[C@@H]1C[C@H](C)N(C(=O)CCn2cc(C#N)c(=O)[n-]c2=O)C1	ZINC000602113084	362496530	/nfs/dbraw/zinc/49/65/30/362496530.db2.gz	UCDHDHYUPDYXQJ-ZJUUUORDSA-N	-1	0	290.323	0.468	20	30		CCEDRM
N#Cc1cn(CCC(=O)N2CC[C@@H]2C2CC2)c(=O)[n-]c1=O	ZINC000602159088	362533024	/nfs/dbraw/zinc/53/30/24/362533024.db2.gz	XBEMJDSEFCOSCH-LLVKDONJSA-N	-1	0	288.307	0.222	20	30		CCEDRM
C[C@@H]1CCN(C(=O)N=c2[n-]n(C)cc2C#N)C[C@@H]1CO	ZINC000602886085	362864973	/nfs/dbraw/zinc/86/49/73/362864973.db2.gz	IYJNPGPHDANXPO-MWLCHTKSSA-N	-1	0	277.328	0.196	20	30		CCEDRM
Cn1cc(C#N)c(=NC(=O)NC[C@@]2(C)CC2(F)F)[n-]1	ZINC000602887201	362866106	/nfs/dbraw/zinc/86/61/06/362866106.db2.gz	NAABETBWRGICLK-SNVBAGLBSA-N	-1	0	269.255	0.880	20	30		CCEDRM
Cn1cc(C#N)c(=NC(=O)N2CCCc3c(cnn3C)C2)[n-]1	ZINC000602887304	362866443	/nfs/dbraw/zinc/86/64/43/362866443.db2.gz	OMJMYBPCHKYGOJ-UHFFFAOYSA-N	-1	0	299.338	0.427	20	30		CCEDRM
Cn1cc(C#N)c(=NC(=O)N2CCC[C@]3(CCOC3)C2)[n-]1	ZINC000602879439	362858973	/nfs/dbraw/zinc/85/89/73/362858973.db2.gz	DRWOEUSLXMLFSE-AWEZNQCLSA-N	-1	0	289.339	0.748	20	30		CCEDRM
Cc1ccc(CNC(=O)N=c2[n-]n(C)cc2C#N)o1	ZINC000602881138	362860583	/nfs/dbraw/zinc/86/05/83/362860583.db2.gz	IKERPWJAWJEOQF-UHFFFAOYSA-N	-1	0	259.269	0.937	20	30		CCEDRM
CS[C@H]1CCN(C(=O)N=c2[n-]n(C)cc2C#N)C1	ZINC000602880848	362860617	/nfs/dbraw/zinc/86/06/17/362860617.db2.gz	NGBGUXIMTWAKTE-VIFPVBQESA-N	-1	0	265.342	0.683	20	30		CCEDRM
CO[C@H]1CCN(C(=O)N=c2[n-]n(C)cc2C#N)C[C@@H]1C	ZINC000602880837	362860643	/nfs/dbraw/zinc/86/06/43/362860643.db2.gz	MVWOGEGGRXQBRW-ONGXEEELSA-N	-1	0	277.328	0.602	20	30		CCEDRM
N#Cc1cccc(NC(=O)N[C@]2(C(=O)[O-])CCOC2)c1	ZINC000085854997	349336622	/nfs/dbraw/zinc/33/66/22/349336622.db2.gz	SGYTVYRLWKKCSX-CYBMUJFWSA-N	-1	0	275.264	0.923	20	30		CCEDRM
CCc1nnc(N2CCO[C@@H](C(=O)[O-])C2)c(C#N)c1CC	ZINC000124815819	350108496	/nfs/dbraw/zinc/10/84/96/350108496.db2.gz	ZWRSINRUBDTZSF-GFCCVEGCSA-N	-1	0	290.323	0.763	20	30		CCEDRM
CN(CC(=O)[O-])S(=O)(=O)c1ccc(C#N)cc1Cl	ZINC000126023940	350135665	/nfs/dbraw/zinc/13/56/65/350135665.db2.gz	QLMGEQIKARUAAT-UHFFFAOYSA-N	-1	0	288.712	0.917	20	30		CCEDRM
C=CCNC(=O)c1ccccc1[N-]S(=O)(=O)N(C)C	ZINC000151917954	350513880	/nfs/dbraw/zinc/51/38/80/350513880.db2.gz	GAJXDAJSODPRDP-UHFFFAOYSA-N	-1	0	283.353	0.821	20	30		CCEDRM
CN(C)S(=O)(=O)[N-]c1nn(C(C)(C)C)cc1C#N	ZINC000123215005	187078331	/nfs/dbraw/zinc/07/83/31/187078331.db2.gz	SREITDOBWODIFX-UHFFFAOYSA-N	-1	0	271.346	0.728	20	30		CCEDRM
CC[C@@H](NS(=O)(=O)c1ccc(C#N)c(F)c1)C(=O)[O-]	ZINC000291920855	198105763	/nfs/dbraw/zinc/10/57/63/198105763.db2.gz	UTSMJEBIDCIWOA-SNVBAGLBSA-N	-1	0	286.284	0.839	20	30		CCEDRM
C[C@H](Cn1cccn1)NS(=O)(=O)c1cccnc1C#N	ZINC000235485414	352184345	/nfs/dbraw/zinc/18/43/45/352184345.db2.gz	CTQIWSGXPUZZRJ-SNVBAGLBSA-N	-1	0	291.336	0.517	20	30		CCEDRM
N#Cc1ncccc1S(=O)(=O)NCCCCCCO	ZINC000236498295	352195811	/nfs/dbraw/zinc/19/58/11/352195811.db2.gz	AEAIPKXNVNPHFP-UHFFFAOYSA-N	-1	0	283.353	0.784	20	30		CCEDRM
CO[C@H]1CCCC[C@H]1S(=O)(=O)[N-]c1nn(C)cc1C#N	ZINC000603420165	363123497	/nfs/dbraw/zinc/12/34/97/363123497.db2.gz	YWBAVFSIOZHFPK-WDEREUQCSA-N	-1	0	298.368	0.991	20	30		CCEDRM
C=CCN(CC(F)(F)F)C(=O)c1cnc([O-])n(C)c1=O	ZINC000267561763	352775072	/nfs/dbraw/zinc/77/50/72/352775072.db2.gz	HDJNYYDDIMLQML-UHFFFAOYSA-N	-1	0	291.229	0.676	20	30		CCEDRM
C=CCSCCNC(=O)c1cnc([O-])n(C)c1=O	ZINC000267552940	352773936	/nfs/dbraw/zinc/77/39/36/352773936.db2.gz	CSRQWSNWIJGFFC-UHFFFAOYSA-N	-1	0	269.326	0.135	20	30		CCEDRM
CC#CC[C@@H](NS(=O)(=O)N1CCCC[C@@H]1C)C(=O)[O-]	ZINC000275085938	353183727	/nfs/dbraw/zinc/18/37/27/353183727.db2.gz	ZRIOZAVIJDAKBP-WDEREUQCSA-N	-1	0	288.369	0.562	20	30		CCEDRM
C#CCSCCNC(=O)C(C)(C)[N-]C(=O)C(F)(F)F	ZINC000277044126	353219437	/nfs/dbraw/zinc/21/94/37/353219437.db2.gz	FILOGGJMYHYPLD-UHFFFAOYSA-N	-1	0	296.314	0.926	20	30		CCEDRM
N#Cc1ccc(S(=O)(=O)N2CSC[C@@H]2C(=O)[O-])o1	ZINC000287714926	353663002	/nfs/dbraw/zinc/66/30/02/353663002.db2.gz	YGALBEKDVIACBR-SSDOTTSWSA-N	-1	0	288.306	0.299	20	30		CCEDRM
C[C@@](O)(C[N-]S(=O)(=O)c1ccc(C#N)o1)C(F)(F)F	ZINC000287946897	353677172	/nfs/dbraw/zinc/67/71/72/353677172.db2.gz	WGFZEAMRDXGWCA-MRVPVSSYSA-N	-1	0	298.242	0.743	20	30		CCEDRM
N#Cc1ccc2c(c1)CC[C@@H]2NC(=O)c1n[nH]c(=O)[n-]1	ZINC000618900929	366114598	/nfs/dbraw/zinc/11/45/98/366114598.db2.gz	UGFLIZWCUXDUKU-JTQLQIEISA-N	-1	0	269.264	0.799	20	30		CCEDRM
C[C@@H](C(=O)N(C)C)S(=O)(=O)[N-]c1ccccc1C#N	ZINC000330499431	354381855	/nfs/dbraw/zinc/38/18/55/354381855.db2.gz	IKOWRUVEXUCPEZ-VIFPVBQESA-N	-1	0	281.337	0.777	20	30		CCEDRM
C[C@H](NC(=O)[C@H](C)Oc1ccccc1C#N)C(=O)[O-]	ZINC000037434454	299223114	/nfs/dbraw/zinc/22/31/14/299223114.db2.gz	PZIGDGNVGOTRII-IUCAKERBSA-N	-1	0	262.265	0.915	20	30		CCEDRM
COc1n[n-]c(=NCc2nc(C#N)cs2)s1	ZINC000336691237	355135440	/nfs/dbraw/zinc/13/54/40/355135440.db2.gz	KOUBOGZFKXLLLZ-UHFFFAOYSA-N	-1	0	253.312	0.909	20	30		CCEDRM
Cc1nc([N-]S(=O)(=O)c2cncc(C#N)c2)nn1C	ZINC000427655502	235374740	/nfs/dbraw/zinc/37/47/40/235374740.db2.gz	RPQYHSNYXKFBEM-UHFFFAOYSA-N	-1	0	278.297	0.191	20	30		CCEDRM
N#Cc1cc(F)cc(C2(C(=O)Nc3nn[nH]n3)CC2)c1	ZINC000352979134	356126028	/nfs/dbraw/zinc/12/60/28/356126028.db2.gz	ZJUOONQFLRYOCZ-UHFFFAOYSA-N	-1	0	272.243	0.881	20	30		CCEDRM
Cc1cc(C#N)cnc1C(=O)N(C)C[C@@H](C)c1nnn[n-]1	ZINC000560371003	291098146	/nfs/dbraw/zinc/09/81/46/291098146.db2.gz	LJUUPIPRQRLFQH-SECBINFHSA-N	-1	0	285.311	0.651	20	30		CCEDRM
C[C@H](Oc1ccccc1C#N)C(=O)NCc1n[n-]c(=N)o1	ZINC000354832168	356508719	/nfs/dbraw/zinc/50/87/19/356508719.db2.gz	BXFMZQDLCPJCFT-QMMMGPOBSA-N	-1	0	287.279	0.438	20	30		CCEDRM
COC(=O)c1ccc(C(=O)N=c2[n-]n(C)cc2C#N)cc1	ZINC000354936675	356531557	/nfs/dbraw/zinc/53/15/57/356531557.db2.gz	YRJKOVRPTKNKJF-UHFFFAOYSA-N	-1	0	284.275	0.753	20	30		CCEDRM
N#Cc1cccc(C(=O)NCCc2nc(=N)[n-]o2)c1	ZINC000359762359	356887288	/nfs/dbraw/zinc/88/72/88/356887288.db2.gz	LYGBVNYSLGCVKQ-UHFFFAOYSA-N	-1	0	257.253	0.326	20	30		CCEDRM
Cc1ncc(CNC(=O)N=c2[n-]n(C)cc2C#N)s1	ZINC000610561720	363576226	/nfs/dbraw/zinc/57/62/26/363576226.db2.gz	OTBSTBZJAJMKBP-UHFFFAOYSA-N	-1	0	276.325	0.800	20	30		CCEDRM
Cn1cc(C#N)c(=NC(=O)N[C@@H]2[C@H]3CCO[C@H]3C2(C)C)[n-]1	ZINC000610562232	363576587	/nfs/dbraw/zinc/57/65/87/363576587.db2.gz	LKGYSCGDDGEDKL-GMTAPVOTSA-N	-1	0	289.339	0.649	20	30		CCEDRM
Cn1cc(C#N)c(=NC(=O)NCCOC(C)(C)C)[n-]1	ZINC000610561609	363576914	/nfs/dbraw/zinc/57/69/14/363576914.db2.gz	OFOLRISFXFYUED-UHFFFAOYSA-N	-1	0	265.317	0.650	20	30		CCEDRM
C[C@@H]1CN(C(=O)N=c2[n-]n(C)cc2C#N)CCS1	ZINC000610562803	363578082	/nfs/dbraw/zinc/57/80/82/363578082.db2.gz	HDEYPGSPNIKUOD-MRVPVSSYSA-N	-1	0	265.342	0.683	20	30		CCEDRM
CC1(C(=O)[O-])CCN(S(=O)(=O)CCCC#N)CC1	ZINC000368409457	357331914	/nfs/dbraw/zinc/33/19/14/357331914.db2.gz	DUZJZRRBJITZFL-UHFFFAOYSA-N	-1	0	274.342	0.807	20	30		CCEDRM
CCn1nccc1S(=O)(=O)[N-]c1ccc(C#N)c(C)n1	ZINC000451087687	236133452	/nfs/dbraw/zinc/13/34/52/236133452.db2.gz	IQJRBVJELCCGKF-UHFFFAOYSA-N	-1	0	291.336	0.701	20	30		CCEDRM
CC(C)(C)n1cc(C#N)c(=NC(=O)[C@@H]2COCCO2)[n-]1	ZINC000408282081	358008351	/nfs/dbraw/zinc/00/83/51/358008351.db2.gz	TXRQFPSMOQYDSB-JTQLQIEISA-N	-1	0	278.312	0.286	20	30		CCEDRM
C=C(C)CS(=O)(=O)N[C@@H](C(=O)[O-])c1ccnn1C	ZINC000563147421	358556561	/nfs/dbraw/zinc/55/65/61/358556561.db2.gz	FOYDZBVGWLVKJI-SECBINFHSA-N	-1	0	273.314	0.041	20	30		CCEDRM
CC[C@@H](CCC(=O)[O-])NS(=O)(=O)N(C)C[C@H](C)C#N	ZINC000563226610	358557280	/nfs/dbraw/zinc/55/72/80/358557280.db2.gz	PBWJCCYZQCMSJH-ZJUUUORDSA-N	-1	0	291.373	0.556	20	30		CCEDRM
C=C[C@@H]1OCCC[C@H]1NC(=O)NC[C@@H](C)C(=O)[O-]	ZINC000655878244	412674902	/nfs/dbraw/zinc/67/49/02/412674902.db2.gz	CYCIHMZBZCVKAR-BBBLOLIVSA-N	-1	0	256.302	0.740	20	30		CCEDRM
Cc1[nH][nH]c(=O)c1CCNC(=O)c1cc(C#N)oc1C	ZINC000570388452	358851968	/nfs/dbraw/zinc/85/19/68/358851968.db2.gz	SUNGCYWQKUXCCG-JTQLQIEISA-N	-1	0	274.280	0.702	20	30		CCEDRM
CCOC1CC(N(C)C(=O)N=c2[n-]n(C)cc2C#N)C1	ZINC000588258936	359319682	/nfs/dbraw/zinc/31/96/82/359319682.db2.gz	QNODEBIMLPECJR-UHFFFAOYSA-N	-1	0	277.328	0.745	20	30		CCEDRM
Cn1cc(C#N)c(=NC(=O)N2CC[C@@H](O)C23CCCC3)[n-]1	ZINC000590121412	359426009	/nfs/dbraw/zinc/42/60/09/359426009.db2.gz	KGNJZYZBVOJTKG-LLVKDONJSA-N	-1	0	289.339	0.625	20	30		CCEDRM
CO[C@@](C)(CNC(=O)N=c1[n-]n(C)cc1C#N)C1CC1	ZINC000589761833	359400904	/nfs/dbraw/zinc/40/09/04/359400904.db2.gz	JWKGBWBSJFDWFP-ZDUSSCGKSA-N	-1	0	277.328	0.650	20	30		CCEDRM
C[C@@H]1C[C@@H](NC(=O)N=c2[n-]n(C)cc2C#N)CS1	ZINC000591338150	359579699	/nfs/dbraw/zinc/57/96/99/359579699.db2.gz	NHBDBZNYRIFHTJ-VXNVDRBHSA-N	-1	0	265.342	0.729	20	30		CCEDRM
CN1CCOC[C@H]1C(=O)N=c1[n-]n(C(C)(C)C)cc1C#N	ZINC000591706792	359644105	/nfs/dbraw/zinc/64/41/05/359644105.db2.gz	NYAMAAHAUTXBKH-NSHDSACASA-N	-1	0	291.355	0.201	20	30		CCEDRM
N#CCC1(CNC(=O)NCC2(C(=O)[O-])CCOCC2)CC1	ZINC000592211731	359800184	/nfs/dbraw/zinc/80/01/84/359800184.db2.gz	BIXJRTWWIMXTRL-UHFFFAOYSA-N	-1	0	295.339	0.861	20	30		CCEDRM
CC[C@H]1CC[C@@H](C(=O)[O-])N1S(=O)(=O)CC1(C#N)CC1	ZINC000592447010	359843265	/nfs/dbraw/zinc/84/32/65/359843265.db2.gz	CBROKFQNNNBJPV-UWVGGRQHSA-N	-1	0	286.353	0.948	20	30		CCEDRM
Cc1c(C#N)c(=NC(=O)[C@@H]2O[C@H](C)C[C@@H]2C)[n-]n1C	ZINC000592649246	359909307	/nfs/dbraw/zinc/90/93/07/359909307.db2.gz	LYVIPVOUWSDFSK-VAOFZXAKSA-N	-1	0	262.313	0.774	20	30		CCEDRM
N#Cc1ccc(C(=O)N2CCC[C@H](c3n[nH]c(=O)[n-]3)C2)[nH]1	ZINC000592796430	359938591	/nfs/dbraw/zinc/93/85/91/359938591.db2.gz	DEZYUHMBIXGUNB-QMMMGPOBSA-N	-1	0	286.295	0.730	20	30		CCEDRM
C[C@@H]1CC[C@H](C(=O)[O-])N1S(=O)(=O)CC1(C#N)CCC1	ZINC000593222858	360052661	/nfs/dbraw/zinc/05/26/61/360052661.db2.gz	XTWBQHBFDPKLJN-NXEZZACHSA-N	-1	0	286.353	0.948	20	30		CCEDRM
CN=c1[n-]nc(CC(=O)N2Cc3ccc(C#N)cc3C2)s1	ZINC000594398921	360292951	/nfs/dbraw/zinc/29/29/51/360292951.db2.gz	GPMFCDLUKRJMRH-UHFFFAOYSA-N	-1	0	299.359	0.958	20	30		CCEDRM
COC[C@H](NC(=O)NCCc1ccc(C#N)cc1)C(=O)[O-]	ZINC000594690997	360360263	/nfs/dbraw/zinc/36/02/63/360360263.db2.gz	OUHSKCDRCGSLOH-LBPRGKRZSA-N	-1	0	291.307	0.500	20	30		CCEDRM
CO[C@](C)(C(=O)[O-])C(=O)N1Cc2ccc(C#N)cc2C1	ZINC000594746982	360374645	/nfs/dbraw/zinc/37/46/45/360374645.db2.gz	DEFWVKWLJHTJGY-AWEZNQCLSA-N	-1	0	274.276	0.890	20	30		CCEDRM
N#Cc1c[n-]c(=O)n(Cc2cc(C3CC3)no2)c1=O	ZINC000594905730	360412534	/nfs/dbraw/zinc/41/25/34/360412534.db2.gz	CNYWITHMZVZEDM-UHFFFAOYSA-N	-1	0	258.237	0.322	20	30		CCEDRM
N#CC1(CC(=O)N2CCC[C@@H]2C(=O)[O-])CCOCC1	ZINC000595281796	360478160	/nfs/dbraw/zinc/47/81/60/360478160.db2.gz	QXFSZXYLPUGPMB-SNVBAGLBSA-N	-1	0	266.297	0.772	20	30		CCEDRM
C=CCNC(=O)NC(=O)CN(CC(=O)[O-])CC(C)(C)C	ZINC000595888664	360690868	/nfs/dbraw/zinc/69/08/68/360690868.db2.gz	ZBOWEEJTXCPREE-UHFFFAOYSA-N	-1	0	285.344	0.431	20	30		CCEDRM
N#Cc1cnc(N[C@@H]2C[C@H](C(=O)[O-])C[C@@H]2O)c([N+](=O)[O-])c1	ZINC000595977823	360753317	/nfs/dbraw/zinc/75/33/17/360753317.db2.gz	IQEVIGLRFUPUTP-XKSSXDPKSA-N	-1	0	292.251	0.497	20	30		CCEDRM
N#Cc1nc(N[C@@H]2C[C@H](C(=O)[O-])C[C@@H]2O)sc1Cl	ZINC000595979353	360754657	/nfs/dbraw/zinc/75/46/57/360754657.db2.gz	SZUXVSSRALCNNF-BFHQHQDPSA-N	-1	0	287.728	0.726	20	30		CCEDRM
COCCN=c1[n-]nc(Sc2cc(C#N)cnn2)s1	ZINC000596057837	360783335	/nfs/dbraw/zinc/78/33/35/360783335.db2.gz	WQZJDXLSVMHDOH-UHFFFAOYSA-N	-1	0	294.365	0.831	20	30		CCEDRM
Cc1cc(NC(=O)c2cc(=O)n(C)[n-]2)n(CCC#N)n1	ZINC000596896130	360975590	/nfs/dbraw/zinc/97/55/90/360975590.db2.gz	XOIAPOOARNLPJO-UHFFFAOYSA-N	-1	0	274.284	0.797	20	30		CCEDRM
CC(C)n1cnc(S(=O)(=O)[N-]c2n[nH]cc2C#N)c1	ZINC000180143065	189239532	/nfs/dbraw/zinc/23/95/32/189239532.db2.gz	NBTIIVFGIIRULM-UHFFFAOYSA-N	-1	0	280.313	0.860	20	30		CCEDRM
CC[C@H](CC#N)NC(=O)c1cc(S(N)(=O)=O)ccc1[O-]	ZINC000597506897	361120163	/nfs/dbraw/zinc/12/01/63/361120163.db2.gz	FDFYTUOEJWILMX-MRVPVSSYSA-N	-1	0	297.336	0.462	20	30		CCEDRM
C[C@H](C(=O)N=c1[nH][n-]c(C2CC2)c1C#N)n1cncn1	ZINC000564001223	291262601	/nfs/dbraw/zinc/26/26/01/291262601.db2.gz	SDJGIJNKTHIIMS-SSDOTTSWSA-N	-1	0	271.284	0.372	20	30		CCEDRM
C=CCn1cc(C(=O)N2CCSC[C@@H](C(=O)[O-])C2)nn1	ZINC000621607180	366807421	/nfs/dbraw/zinc/80/74/21/366807421.db2.gz	NTDNETGJPVDJDM-VIFPVBQESA-N	-1	0	296.352	0.354	20	30		CCEDRM
Cc1c(C#N)c(=NC(=O)c2ccnn2C(F)F)[n-]n1C	ZINC000598841025	361524938	/nfs/dbraw/zinc/52/49/38/361524938.db2.gz	CJXRIQVYCNYTMI-UHFFFAOYSA-N	-1	0	280.238	0.866	20	30		CCEDRM
C=CCCCNC(=O)C(=O)NC[C@@H](C(=O)[O-])C(C)C	ZINC000655991049	412725564	/nfs/dbraw/zinc/72/55/64/412725564.db2.gz	KAGFVTMQQVSSPM-SNVBAGLBSA-N	-1	0	270.329	0.542	20	30		CCEDRM
C=CCn1cc(CNC(=O)C[C@@H](C)CC(=O)[O-])nn1	ZINC000656252135	412773077	/nfs/dbraw/zinc/77/30/77/412773077.db2.gz	RXXDCHPNONZYMW-SECBINFHSA-N	-1	0	266.301	0.581	20	30		CCEDRM
Cn1nncc1C(=O)N=c1[n-]n(C(C)(C)C)cc1C#N	ZINC000330853863	203315960	/nfs/dbraw/zinc/31/59/60/203315960.db2.gz	YFAHGXMSGDMQRC-UHFFFAOYSA-N	-1	0	273.300	0.312	20	30		CCEDRM
C=CCCS(=O)(=O)N1C[C@@H](OC)C[C@]1(C)C(=O)[O-]	ZINC000629307213	369626976	/nfs/dbraw/zinc/62/69/76/369626976.db2.gz	BZBYXUVFBXHLOU-GXSJLCMTSA-N	-1	0	277.342	0.456	20	30		CCEDRM
C=CCCS(=O)(=O)N1C[C@H](OC)C[C@]1(C)C(=O)[O-]	ZINC000629307215	369627356	/nfs/dbraw/zinc/62/73/56/369627356.db2.gz	BZBYXUVFBXHLOU-MWLCHTKSSA-N	-1	0	277.342	0.456	20	30		CCEDRM
C=CCOC[C@@H](NC(=O)[C@@H](OCC)C(C)C)C(=O)[O-]	ZINC000630187026	369996135	/nfs/dbraw/zinc/99/61/35/369996135.db2.gz	HGVMFYFUWAACCO-MNOVXSKESA-N	-1	0	273.329	0.820	20	30		CCEDRM
C=CCOC[C@H](NC(=O)c1nocc1C)C(=O)[O-]	ZINC000630188124	369997125	/nfs/dbraw/zinc/99/71/25/369997125.db2.gz	UTXJMZLHVGWVHJ-QMMMGPOBSA-N	-1	0	254.242	0.369	20	30		CCEDRM
C=C(C)C[C@@H](NC(=O)[C@@H](C)n1cccn1)C(=O)[O-]	ZINC000630317509	370044643	/nfs/dbraw/zinc/04/46/43/370044643.db2.gz	RBBPYBJBZHAZAH-NXEZZACHSA-N	-1	0	251.286	0.980	20	30		CCEDRM
C=C(C)C[C@@H](NC(=O)c1ccc(C(N)=O)s1)C(=O)[O-]	ZINC000630317263	370044689	/nfs/dbraw/zinc/04/46/89/370044689.db2.gz	NRFINGABBRCPSO-SSDOTTSWSA-N	-1	0	282.321	0.996	20	30		CCEDRM
C=CCC[C@H](NC(=O)[C@H]1COCCN1CC)C(=O)[O-]	ZINC000630181379	369994229	/nfs/dbraw/zinc/99/42/29/369994229.db2.gz	IUTUFWXNBVRJIW-WDEREUQCSA-N	-1	0	270.329	0.243	20	30		CCEDRM
C=CCC[C@@H](NC(=O)Cc1cnn(C)c1)C(=O)[O-]	ZINC000630181648	369994260	/nfs/dbraw/zinc/99/42/60/369994260.db2.gz	JVZRUUCVAKSNQM-SNVBAGLBSA-N	-1	0	251.286	0.498	20	30		CCEDRM
C=C(C)C[C@@H](NS(=O)(=O)N1CCC[C@@H]1C)C(=O)[O-]	ZINC000630438364	370117370	/nfs/dbraw/zinc/11/73/70/370117370.db2.gz	OYGJFJIZUDYIKL-VHSXEESVSA-N	-1	0	276.358	0.725	20	30		CCEDRM
C=C(C)C[C@@H](NS(=O)(=O)CCCCOC)C(=O)[O-]	ZINC000630438763	370117514	/nfs/dbraw/zinc/11/75/14/370117514.db2.gz	YRFQUEPQDBDFLE-SNVBAGLBSA-N	-1	0	279.358	0.752	20	30		CCEDRM
C=C(C)COCCNC(=O)[C@H](C)O[C@@H](C)C(=O)[O-]	ZINC000634910001	372290874	/nfs/dbraw/zinc/29/08/74/372290874.db2.gz	RUKNAEJXCYJVJE-UWVGGRQHSA-N	-1	0	259.302	0.574	20	30		CCEDRM
C=CCn1cc(CNC(=O)[C@@H]2CCC[C@@H]2C(=O)[O-])nn1	ZINC000634843805	372268703	/nfs/dbraw/zinc/26/87/03/372268703.db2.gz	WIHVMKRDEIYWOW-MNOVXSKESA-N	-1	0	278.312	0.581	20	30		CCEDRM
C=CCOCCCNC(=O)C[C@@]1(C(=O)[O-])CCOC1	ZINC000656486671	412812895	/nfs/dbraw/zinc/81/28/95/412812895.db2.gz	PRHYCWPTLBRRSZ-ZDUSSCGKSA-N	-1	0	271.313	0.577	20	30		CCEDRM
C=CCC[C@H](NC(=O)Cc1nnn(C(C)(C)C)n1)C(=O)[O-]	ZINC000656490437	412812991	/nfs/dbraw/zinc/81/29/91/412812991.db2.gz	CSFLIZGPSYZAFW-VIFPVBQESA-N	-1	0	295.343	0.506	20	30		CCEDRM
C=CCOCCCNC(=O)N1CCC[C@@H]1C(=O)[O-]	ZINC000656595384	412833350	/nfs/dbraw/zinc/83/33/50/412833350.db2.gz	IRMNOBWUYPQNBU-SNVBAGLBSA-N	-1	0	256.302	0.838	20	30		CCEDRM
C=CCOCCCNC(=O)N[C@@]1(C(=O)[O-])CCOC1	ZINC000656596134	412833940	/nfs/dbraw/zinc/83/39/40/412833940.db2.gz	ZASRKAYDUREUGO-LBPRGKRZSA-N	-1	0	272.301	0.122	20	30		CCEDRM
CCCCCc1n[n-]c(=NC(=O)NCC#CCO)s1	ZINC000639457173	375790895	/nfs/dbraw/zinc/79/08/95/375790895.db2.gz	ZAXQIEMPJMFWEV-UHFFFAOYSA-N	-1	0	282.369	0.810	20	30		CCEDRM
COCCSCCCn1c(=O)[n-]cc(C#N)c1=O	ZINC000517235870	249210010	/nfs/dbraw/zinc/21/00/10/249210010.db2.gz	YUXDQQRVAOFNES-UHFFFAOYSA-N	-1	0	269.326	0.178	20	30		CCEDRM
C#CCO[N-]C(=O)CSCC(=O)Nc1cc(C)on1	ZINC000291317174	388920229	/nfs/dbraw/zinc/92/02/29/388920229.db2.gz	SHCNVMBUDQFBCE-UHFFFAOYSA-N	-1	0	283.309	0.336	20	30		CCEDRM
N#Cc1ccc(S(=O)(=O)N2CC(C(=O)[O-])C2)cc1F	ZINC000291823979	388938911	/nfs/dbraw/zinc/93/89/11/388938911.db2.gz	FJMKOPZNDVJIFY-UHFFFAOYSA-N	-1	0	284.268	0.402	20	30		CCEDRM
CCN(CC#N)S(=O)(=O)c1csc(C(=O)[O-])c1	ZINC000355415669	389074711	/nfs/dbraw/zinc/07/47/11/389074711.db2.gz	ZHRZDPISHBJKCU-UHFFFAOYSA-N	-1	0	274.323	0.980	20	30		CCEDRM
CO[C@]1(CNC(=O)c2cccn3c([O-])nnc23)CCOC1	ZINC000329652007	389183064	/nfs/dbraw/zinc/18/30/64/389183064.db2.gz	KPAVUQMYCSNEAB-ZDUSSCGKSA-N	-1	0	292.295	0.545	20	30		CCEDRM
C=C[C@H]1CCCCN1C(=O)C(=O)N=c1ccc(OC)n[n-]1	ZINC000342240911	389203305	/nfs/dbraw/zinc/20/33/05/389203305.db2.gz	WBCVUENRRMJGTM-JTQLQIEISA-N	-1	0	290.323	0.413	20	30		CCEDRM
C=CCN=c1[n-]nc(S(=O)(=O)Cc2ccon2)s1	ZINC000358734244	389159282	/nfs/dbraw/zinc/15/92/82/389159282.db2.gz	GZJXEUBJANDUMZ-UHFFFAOYSA-N	-1	0	286.338	0.520	20	30		CCEDRM
C=CCN=c1[n-]nc(S(=O)(=O)CCn2cccn2)s1	ZINC000358740944	389159321	/nfs/dbraw/zinc/15/93/21/389159321.db2.gz	HHQJPUMUXVCMNL-UHFFFAOYSA-N	-1	0	299.381	0.228	20	30		CCEDRM
C=CCCCN(C)C(=O)C(=O)N=c1ccc(OC)n[n-]1	ZINC000342315439	389209950	/nfs/dbraw/zinc/20/99/50/389209950.db2.gz	AQVJBTBAMZFENA-UHFFFAOYSA-N	-1	0	278.312	0.270	20	30		CCEDRM
N#Cc1ccc(S(=O)(=O)[N-]c2cccnn2)o1	ZINC000342596590	389227195	/nfs/dbraw/zinc/22/71/95/389227195.db2.gz	XZVXKDSSZFQHKG-UHFFFAOYSA-N	-1	0	250.239	0.742	20	30		CCEDRM
C=C(C)C[C@H](C)C(=O)Nc1n[n-]c(S(C)(=O)=O)n1	ZINC000345341592	389304540	/nfs/dbraw/zinc/30/45/40/389304540.db2.gz	BFPBIRDVJDHDSI-ZETCQYMHSA-N	-1	0	272.330	0.749	20	30		CCEDRM
C[C@H]1C[C@H](C(=O)[N-]S(=O)(=O)c2cccc(C#N)c2)CO1	ZINC000408488999	389368097	/nfs/dbraw/zinc/36/80/97/389368097.db2.gz	OUZYYGGAIRCNIS-ONGXEEELSA-N	-1	0	294.332	0.788	20	30		CCEDRM
Cc1cc(NS(=O)(=O)N(C)C)nn1CCC#N	ZINC000348884404	389395000	/nfs/dbraw/zinc/39/50/00/389395000.db2.gz	FOJQUKZWMQMLLN-UHFFFAOYSA-N	-1	0	257.319	0.324	20	30		CCEDRM
N#Cc1ccc(C(=O)[N-]S(=O)(=O)[C@H]2CCOC2)s1	ZINC000408485024	389366418	/nfs/dbraw/zinc/36/64/18/389366418.db2.gz	GIVJLSWJKWNIRZ-QMMMGPOBSA-N	-1	0	286.334	0.468	20	30		CCEDRM
C#CCN(C(=O)c1cc(C)c2c(=O)[n-]c(=O)nc-2[nH]1)C1CC1	ZINC000274093836	389483862	/nfs/dbraw/zinc/48/38/62/389483862.db2.gz	VDOXJHPBNCPLNK-UHFFFAOYSA-N	-1	0	298.302	0.982	20	30		CCEDRM
C=CCCN1[N-]S(=O)(=O)c2ccccc2C1=O	ZINC000334414850	389489414	/nfs/dbraw/zinc/48/94/14/389489414.db2.gz	MQZZADGVRVBGEP-UHFFFAOYSA-N	-1	0	252.295	0.912	20	30		CCEDRM
C=C(C)COCCNC(=O)N1CCSC[C@@H]1C(=O)[O-]	ZINC000164127859	389432515	/nfs/dbraw/zinc/43/25/15/389432515.db2.gz	XKJFHWVEBZYYJT-SNVBAGLBSA-N	-1	0	288.369	0.791	20	30		CCEDRM
N#C[C@@H]1COCCN1C(=O)c1ccc2n[nH]nc2c1	ZINC000175884724	389548270	/nfs/dbraw/zinc/54/82/70/389548270.db2.gz	WFUVOZYOBCZOMA-SECBINFHSA-N	-1	0	257.253	0.322	20	30		CCEDRM
CC(C)c1nc(S(=O)(=O)[N-]c2n[nH]cc2C#N)cn1C	ZINC000414442230	389616226	/nfs/dbraw/zinc/61/62/26/389616226.db2.gz	LHUTWYASSOKALO-UHFFFAOYSA-N	-1	0	294.340	0.939	20	30		CCEDRM
COc1cccc(S([O-])=CC(=O)N[C@@H](C)C#N)c1	ZINC000424620417	389626969	/nfs/dbraw/zinc/62/69/69/389626969.db2.gz	VACXZKNOTYORHJ-NIVTXAMTSA-N	-1	0	266.322	0.831	20	30		CCEDRM
COC(=O)C[N-]S(=O)(=O)c1c(F)cc(C#N)cc1F	ZINC000177122413	389572310	/nfs/dbraw/zinc/57/23/10/389572310.db2.gz	FEBSLLGYFYUGRG-UHFFFAOYSA-N	-1	0	290.247	0.288	20	30		CCEDRM
Cc1cc(C#N)ccc1S(=O)(=O)[N-]c1ncnn1C	ZINC000177755217	389591223	/nfs/dbraw/zinc/59/12/23/389591223.db2.gz	IOXDHIMJJTUVOE-UHFFFAOYSA-N	-1	0	277.309	0.796	20	30		CCEDRM
C=C[C@H](CO)NC(=O)c1cc(=O)n(-c2ccc(C)cc2)[n-]1	ZINC000426844498	389678325	/nfs/dbraw/zinc/67/83/25/389678325.db2.gz	CLCJZSGDQCTTHF-LLVKDONJSA-N	-1	0	287.319	0.751	20	30		CCEDRM
CC[C@@H]1C[C@@H](C(=O)N=c2[n-]n(C)cc2C#N)CCO1	ZINC000408154028	389829544	/nfs/dbraw/zinc/82/95/44/389829544.db2.gz	HRHGETFLRULSLK-GXSJLCMTSA-N	-1	0	262.313	0.857	20	30		CCEDRM
N#Cc1cc([N+](=O)[O-])ccc1NCCc1n[n-]c(=N)o1	ZINC000432145288	389873737	/nfs/dbraw/zinc/87/37/37/389873737.db2.gz	QUVQUTJXSZGMDO-UHFFFAOYSA-N	-1	0	274.240	0.917	20	30		CCEDRM
Cn1cc(NC(=O)c2ccc(C#N)c([O-])c2)cc1C(N)=O	ZINC000442619998	389851136	/nfs/dbraw/zinc/85/11/36/389851136.db2.gz	MWPBVGDZYZQUDH-UHFFFAOYSA-N	-1	0	284.275	0.954	20	30		CCEDRM
Cc1nnc(NC(=O)c2ccc(C#N)c([O-])c2)n1C	ZINC000442674361	389855795	/nfs/dbraw/zinc/85/57/95/389855795.db2.gz	YASZXXPPNWEQER-UHFFFAOYSA-N	-1	0	257.253	0.953	20	30		CCEDRM
CC(C)(CC#N)CNC(=O)C(=O)N1CCC[C@H](C(=O)[O-])C1	ZINC000420575621	390013760	/nfs/dbraw/zinc/01/37/60/390013760.db2.gz	AOCDZIRFSCSWEX-JTQLQIEISA-N	-1	0	295.339	0.366	20	30		CCEDRM
C=CCS(=O)(=O)[N-]C(=O)/C=C/c1ccncn1	ZINC000492740502	390118444	/nfs/dbraw/zinc/11/84/44/390118444.db2.gz	USXGXPXIZGAIND-ONEGZZNKSA-N	-1	0	253.283	0.122	20	30		CCEDRM
C#CCN(CC#CC)S(=O)(=O)c1cc(C(=O)[O-])n(C)c1	ZINC000490949508	390108942	/nfs/dbraw/zinc/10/89/42/390108942.db2.gz	LCUIQSJTNPKSKU-UHFFFAOYSA-N	-1	0	294.332	0.371	20	30		CCEDRM
C#CCN(CC#N)C(=O)c1cc(C)c2c(=O)[n-]c(=O)nc-2[nH]1	ZINC000491013868	390109351	/nfs/dbraw/zinc/10/93/51/390109351.db2.gz	MAFYWHQWSBULLH-UHFFFAOYSA-N	-1	0	297.274	0.343	20	30		CCEDRM
CC#CCS(=O)(=O)[N-]C(=O)/C=C\c1ccnn1CC	ZINC000493382283	390124435	/nfs/dbraw/zinc/12/44/35/390124435.db2.gz	GOXOBCSOYPPBON-SREVYHEPSA-N	-1	0	281.337	0.386	20	30		CCEDRM
CC(C)(C)NC(=O)CNS(=O)(=O)CC1(C#N)CCC1	ZINC000579042325	390137009	/nfs/dbraw/zinc/13/70/09/390137009.db2.gz	LKKVXQPTLXYCLO-UHFFFAOYSA-N	-1	0	287.385	0.514	20	30		CCEDRM
C=CCn1cc(C(=O)N2CC[C@@H](C)[C@H](C(=O)[O-])C2)nn1	ZINC000647747648	390158578	/nfs/dbraw/zinc/15/85/78/390158578.db2.gz	TVMJAFVCBMXEGN-NXEZZACHSA-N	-1	0	278.312	0.647	20	30		CCEDRM
C=CCS(=O)(=O)[N-]C(=O)[C@@H]1CCCN(C(=O)OC)C1	ZINC000494484447	390176377	/nfs/dbraw/zinc/17/63/77/390176377.db2.gz	HLFRQTFGSLSTDL-SECBINFHSA-N	-1	0	290.341	0.097	20	30		CCEDRM
C[C@H](CC#N)N(C)S(=O)(=O)N[C@@H](C)CCCC(=O)[O-]	ZINC000580333685	390240553	/nfs/dbraw/zinc/24/05/53/390240553.db2.gz	XWXMNCYAUVZRIR-VHSXEESVSA-N	-1	0	291.373	0.698	20	30		CCEDRM
CC#CC[C@@H](NS(=O)(=O)N1CCC[C@@H](C)C1)C(=O)[O-]	ZINC000543787092	390293902	/nfs/dbraw/zinc/29/39/02/390293902.db2.gz	JFZBPGJMGOATOA-GHMZBOCLSA-N	-1	0	288.369	0.419	20	30		CCEDRM
C[C@@H]1CCC[C@@H](C)N1C(=O)Cn1c(=O)[n-]cc(C#N)c1=O	ZINC000584350741	390338204	/nfs/dbraw/zinc/33/82/04/390338204.db2.gz	ZYZUMDSNFDJAMZ-NXEZZACHSA-N	-1	0	290.323	0.198	20	30		CCEDRM
C#CCO[N-]C(=O)C1(CNC(=O)OC(C)(C)C)CC1	ZINC000496974529	390395237	/nfs/dbraw/zinc/39/52/37/390395237.db2.gz	NMFDVHCENNEVKF-UHFFFAOYSA-N	-1	0	268.313	0.972	20	30		CCEDRM
Cc1cc(C#N)cnc1C(=O)NC1(c2nnn[n-]2)CCCC1	ZINC000556228323	390477345	/nfs/dbraw/zinc/47/73/45/390477345.db2.gz	QMIRIPSKLPVZEQ-UHFFFAOYSA-N	-1	0	297.322	0.974	20	30		CCEDRM
C[C@H](C#N)CNC(=O)N=c1ccc(-c2cnn(C)c2)n[n-]1	ZINC000565635635	390530233	/nfs/dbraw/zinc/53/02/33/390530233.db2.gz	DNVGOEMWTCEPMA-SECBINFHSA-N	-1	0	285.311	0.580	20	30		CCEDRM
C=CCOC[C@H](NS(=O)(=O)CCCC)C(=O)[O-]	ZINC000519773129	390541594	/nfs/dbraw/zinc/54/15/94/390541594.db2.gz	MRRMZHNOXNFABP-VIFPVBQESA-N	-1	0	265.331	0.362	20	30		CCEDRM
N#CCC1(CS(=O)(=O)N2CSC[C@H]2C(=O)[O-])CC1	ZINC000570401143	390718662	/nfs/dbraw/zinc/71/86/62/390718662.db2.gz	IMBGMXGFYNOMNU-QMMMGPOBSA-N	-1	0	290.366	0.470	20	30		CCEDRM
C=C[C@H]1CCCCN1C(=O)C(=O)N[C@H]1CC[C@@H](C(=O)[O-])C1	ZINC000647591789	390844622	/nfs/dbraw/zinc/84/46/22/390844622.db2.gz	KHXIYKGEKDLKAW-WOPDTQHZSA-N	-1	0	294.351	0.923	20	30		CCEDRM
C=CCn1cc(C(=O)N[C@H](CCCC)C(=O)[O-])nn1	ZINC000647598375	390847879	/nfs/dbraw/zinc/84/78/79/390847879.db2.gz	MNAHIQOKEXHQLV-SECBINFHSA-N	-1	0	266.301	0.837	20	30		CCEDRM
C=CCCS(=O)(=O)N1C[C@@H](C(=O)[O-])[C@H](C(F)F)C1	ZINC000647620839	390852511	/nfs/dbraw/zinc/85/25/11/390852511.db2.gz	HXPBJWCQDHZMKC-HTQZYQBOSA-N	-1	0	283.296	0.790	20	30		CCEDRM
Cc1[n-][nH]c(=NC(=O)[C@H](C)Oc2cccnc2)c1C#N	ZINC000431673459	533592572	/nfs/dbraw/zinc/59/25/72/533592572.db2.gz	NZYMCTWNFDFZFV-VIFPVBQESA-N	-1	0	271.280	0.813	20	30		CCEDRM
COc1cc(C#N)ccc1OCC(=O)NCCC(=O)[O-]	ZINC000262456426	131221758	/nfs/dbraw/zinc/22/17/58/131221758.db2.gz	WTZKRTOLDSRVAH-UHFFFAOYSA-N	-1	0	278.264	0.537	20	30		CCEDRM
C[C@@H](Oc1ccc(C#N)cc1)C(=O)NC1(c2nnn[n-]2)CC1	ZINC000357092916	144059637	/nfs/dbraw/zinc/05/96/37/144059637.db2.gz	CUFSLMAPVDEBPX-SECBINFHSA-N	-1	0	298.306	0.644	20	30		CCEDRM
COc1ccc(C(=O)N=c2[nH][n-]c(C)c2C#N)cn1	ZINC000357172401	144066885	/nfs/dbraw/zinc/06/68/85/144066885.db2.gz	FCBWUYOBSIGQKZ-UHFFFAOYSA-N	-1	0	257.253	0.668	20	30		CCEDRM
Cc1[n-][nH]c(=NC(=O)c2ccc3nccn3c2)c1C#N	ZINC000357176927	144067209	/nfs/dbraw/zinc/06/72/09/144067209.db2.gz	LPOPECCZCXAGAN-UHFFFAOYSA-N	-1	0	266.264	0.912	20	30		CCEDRM
C[C@H](C(=O)[O-])N(C)S(=O)(=O)c1ccsc1C#N	ZINC000593268923	397584913	/nfs/dbraw/zinc/58/49/13/397584913.db2.gz	HGUNHGCLMHJSAM-ZCFIWIBFSA-N	-1	0	274.323	0.713	20	30		CCEDRM
C=C[C@](C)(CCOC)C(=O)N=c1ccc(C(=O)NC)n[n-]1	ZINC000650818366	397767652	/nfs/dbraw/zinc/76/76/52/397767652.db2.gz	HYIRHBMEIFVOEX-CQSZACIVSA-N	-1	0	292.339	0.425	20	30		CCEDRM
CC#CCCNC(=O)N1C[C@@H]2COC[C@]2(C(=O)[O-])C1	ZINC000659401730	413473052	/nfs/dbraw/zinc/47/30/52/413473052.db2.gz	PKUMGDLWXIJSLG-ZWNOBZJWSA-N	-1	0	266.297	0.142	20	30		CCEDRM
C=C(C)COCCNC(=O)N1C[C@@H]2COC[C@]2(C(=O)[O-])C1	ZINC000659396503	413473771	/nfs/dbraw/zinc/47/37/71/413473771.db2.gz	BOAYEQPYTMKJSE-BXUZGUMPSA-N	-1	0	298.339	0.322	20	30		CCEDRM
C[C@@H](C(=O)N(C)C)S(=O)(=O)[N-]c1ccc(F)cc1C#N	ZINC000284663501	196106861	/nfs/dbraw/zinc/10/68/61/196106861.db2.gz	FBNFEGNOTQRVRI-QMMMGPOBSA-N	-1	0	299.327	0.916	20	30		CCEDRM
C=CCCn1cc(C(=O)N(C)[C@H](CC)C(=O)[O-])nn1	ZINC000653345616	412292972	/nfs/dbraw/zinc/29/29/72/412292972.db2.gz	WXSJOQRLZNSXLS-SNVBAGLBSA-N	-1	0	266.301	0.789	20	30		CCEDRM
C=CCOC[C@@H](NC(=O)N[C@H](C)C(C)C)C(=O)[O-]	ZINC000654804996	412440949	/nfs/dbraw/zinc/44/09/49/412440949.db2.gz	YLPMGWSQCRYLNS-NXEZZACHSA-N	-1	0	258.318	0.986	20	30		CCEDRM
C=CCC[C@H](CO)NC(=O)NCC1(C(=O)[O-])CCC1	ZINC000659425657	413490840	/nfs/dbraw/zinc/49/08/40/413490840.db2.gz	KPOFTIKPDAKWTP-SNVBAGLBSA-N	-1	0	270.329	0.868	20	30		CCEDRM
C#CCNS(=O)(=O)c1cc(C(=O)[O-])cc(F)c1C	ZINC000035650915	172326936	/nfs/dbraw/zinc/32/69/36/172326936.db2.gz	DYXKXMLHIUFOKT-UHFFFAOYSA-N	-1	0	271.269	0.744	20	30		CCEDRM
C=C(CC)CNC(=O)C(=O)NCC1(C(=O)[O-])CCC1	ZINC000659656168	413757810	/nfs/dbraw/zinc/75/78/10/413757810.db2.gz	JYKHAGWPBUYMGM-UHFFFAOYSA-N	-1	0	268.313	0.440	20	30		CCEDRM
C=CCCNC(=O)C(=O)N1C[C@@H](C)C[C@H](C(=O)[O-])C1	ZINC000659662319	413760100	/nfs/dbraw/zinc/76/01/00/413760100.db2.gz	DCLNKDQDNLFPNN-UWVGGRQHSA-N	-1	0	268.313	0.248	20	30		CCEDRM
C=CCCNC(=O)C(=O)N1CC[C@@H](C)[C@@H](C(=O)[O-])C1	ZINC000659662995	413760575	/nfs/dbraw/zinc/76/05/75/413760575.db2.gz	JCIOJXFNXOETEF-ZJUUUORDSA-N	-1	0	268.313	0.248	20	30		CCEDRM
C=CCCNC(=O)C(=O)N1CC[C@H](C)[C@H](C(=O)[O-])C1	ZINC000659662994	413760779	/nfs/dbraw/zinc/76/07/79/413760779.db2.gz	JCIOJXFNXOETEF-VHSXEESVSA-N	-1	0	268.313	0.248	20	30		CCEDRM
C[C@H](NS(=O)(=O)Cc1cccc(C#N)c1)C(=O)[O-]	ZINC000037462460	173224607	/nfs/dbraw/zinc/22/46/07/173224607.db2.gz	YAJMZYPPPYOKFY-QMMMGPOBSA-N	-1	0	268.294	0.451	20	30		CCEDRM
C#CCNC(=O)COc1cc(OC)ccc1C(=O)[O-]	ZINC000042313340	174682063	/nfs/dbraw/zinc/68/20/63/174682063.db2.gz	PUHSTWYZXICKJB-UHFFFAOYSA-N	-1	0	263.249	0.522	20	30		CCEDRM
C=CCOCCNS(=O)(=O)c1ccc(C(=O)[O-])nc1	ZINC000663429472	415062314	/nfs/dbraw/zinc/06/23/14/415062314.db2.gz	CCSWAFSQTWHDAP-UHFFFAOYSA-N	-1	0	286.309	0.261	20	30		CCEDRM
C=CC[C@@H](CO)NC(=O)NC[C@H](C(=O)[O-])C1CCC1	ZINC000665319944	415597353	/nfs/dbraw/zinc/59/73/53/415597353.db2.gz	BTHYCBLFVKZFGZ-QWRGUYRKSA-N	-1	0	270.329	0.724	20	30		CCEDRM
Cc1ccc(C#N)cc1S(=O)(=O)N1CC(C(=O)[O-])C1	ZINC000071173372	176053304	/nfs/dbraw/zinc/05/33/04/176053304.db2.gz	USHLTRXYKMSOTK-UHFFFAOYSA-N	-1	0	280.305	0.572	20	30		CCEDRM
N#CCCn1ccc(=NC(=O)N=c2[n-]nc3ccccn32)[nH]1	ZINC000347525486	226182147	/nfs/dbraw/zinc/18/21/47/226182147.db2.gz	UBTLCCMPAXPLHH-UHFFFAOYSA-N	-1	0	296.294	0.327	20	30		CCEDRM
CCn1cnnc1NC(=O)COC[C@H]1CCOC1	ZINC000329122361	227312294	/nfs/dbraw/zinc/31/22/94/227312294.db2.gz	RBGBRAFHQMDTAG-VIFPVBQESA-N	-1	0	254.290	0.939	20	30		CCEDRM
O=C(CSc1n[nH]c(=O)[n-]1)N[C@@H]1CCCOC1	ZINC000329304600	227426943	/nfs/dbraw/zinc/42/69/43/227426943.db2.gz	XZDFFQFDPMQLKY-ZCFIWIBFSA-N	-1	0	258.303	0.738	20	30		CCEDRM
N#Cc1cccc(F)c1CC(=O)NCCc1nc(=O)o[n-]1	ZINC000355507222	227863288	/nfs/dbraw/zinc/86/32/88/227863288.db2.gz	NAGAUJABXOXWEK-UHFFFAOYSA-N	-1	0	290.254	0.275	20	30		CCEDRM
C=CCOCCNS(=O)(=O)c1ccc(C(=O)[O-])o1	ZINC000302425263	544981936	/nfs/dbraw/zinc/98/19/36/544981936.db2.gz	RLQVMCGYHUDNME-UHFFFAOYSA-N	-1	0	275.282	0.459	20	30		CCEDRM
N#Cc1ccc(C(=O)Nc2cc(C(N)=O)[nH]n2)cc1[O-]	ZINC000615429070	420496785	/nfs/dbraw/zinc/49/67/85/420496785.db2.gz	DSURNFJDXWPLMX-UHFFFAOYSA-N	-1	0	271.236	0.338	20	30		CCEDRM
N#CC1(C(=O)Nc2ccc(-n3nn[n-]c3=O)cc2)CCCC1	ZINC000188327357	260127629	/nfs/dbraw/zinc/12/76/29/260127629.db2.gz	DTYFSYBIAHCUDF-UHFFFAOYSA-N	-1	0	298.306	0.978	20	30		CCEDRM
CN(CC#N)C(=O)c1ccccc1[N-]S(C)(=O)=O	ZINC000337546879	262458176	/nfs/dbraw/zinc/45/81/76/262458176.db2.gz	WAXHTHGKQDNWOU-UHFFFAOYSA-N	-1	0	267.310	0.654	20	30		CCEDRM
N#CCNC(=O)c1nn(-c2cccc(F)c2)cc1[O-]	ZINC000339825309	262676730	/nfs/dbraw/zinc/67/67/30/262676730.db2.gz	YYVXGSUDVFGDPR-UHFFFAOYSA-N	-1	0	260.228	0.970	20	30		CCEDRM
C=CCCC[C@H](C)NC(=O)C(=O)N=c1ncn(C)[n-]1	ZINC000340163230	263081826	/nfs/dbraw/zinc/08/18/26/263081826.db2.gz	KMEOJKNUEDUCNP-VIFPVBQESA-N	-1	0	265.317	0.037	20	30		CCEDRM
C=CC[C@H](CO)CNC(=O)N=c1[n-]nc(CC)s1	ZINC000341771411	263348363	/nfs/dbraw/zinc/34/83/63/263348363.db2.gz	LCPMNCFMYFKGGX-QMMMGPOBSA-N	-1	0	270.358	0.829	20	30		CCEDRM
C[C@@H](C#N)C(=O)N1CCC[C@@H]1CN(C)Cc1n[nH]c(=O)[n-]1	ZINC000960498799	649854902	/nfs/dbraw/zinc/85/49/02/649854902.db2.gz	DCQBICRQAXLVIJ-VHSXEESVSA-N	-1	0	292.343	0.093	20	30		CCEDRM
Cc1n[n-]c(=NC(=O)NCc2nnc(C)n2C)s1	ZINC000330442653	263953240	/nfs/dbraw/zinc/95/32/40/263953240.db2.gz	FJCPIOYQGUOEQE-UHFFFAOYSA-N	-1	0	267.318	0.231	20	30		CCEDRM
CCCc1nc(=NC(=O)N[C@@H]2C(=O)NCC[C@@H]2C)s[n-]1	ZINC000330864355	264057368	/nfs/dbraw/zinc/05/73/68/264057368.db2.gz	UGYNCJXUXIRDFY-CBAPKCEASA-N	-1	0	297.384	0.763	20	30		CCEDRM
CCN(C[C@@H](C)C#N)S(=O)(=O)N(C)CCCC(=O)[O-]	ZINC000417416437	264236527	/nfs/dbraw/zinc/23/65/27/264236527.db2.gz	IKVBBUJCLGUEAD-JTQLQIEISA-N	-1	0	291.373	0.509	20	30		CCEDRM
C=CC[C@H](NS(=O)(=O)N(C)CCCC)C(=O)[O-]	ZINC000161275098	264279699	/nfs/dbraw/zinc/27/96/99/264279699.db2.gz	NJCOWSJVLZZEQL-VIFPVBQESA-N	-1	0	264.347	0.582	20	30		CCEDRM
C=CCOC[C@@H](NS(=O)(=O)C[C@H](C)CC)C(=O)[O-]	ZINC000519150064	265337569	/nfs/dbraw/zinc/33/75/69/265337569.db2.gz	VWMWVFCJSVGIIK-NXEZZACHSA-N	-1	0	279.358	0.608	20	30		CCEDRM
C=C[C@@H](CO)NC(=O)c1ccc([N+](=O)[O-])c([O-])c1	ZINC000356830108	266182698	/nfs/dbraw/zinc/18/26/98/266182698.db2.gz	GHXIGKHBFNUJJB-QMMMGPOBSA-N	-1	0	252.226	0.577	20	30		CCEDRM
C=C[C@H](CO)NC(=O)c1nn(-c2cccc(F)c2)cc1[O-]	ZINC000356876020	266201336	/nfs/dbraw/zinc/20/13/36/266201336.db2.gz	RKTUBINTSVZACL-SNVBAGLBSA-N	-1	0	291.282	0.994	20	30		CCEDRM
C=CCn1c(SCc2ccn(C)n2)n[n-]c1=N	ZINC000357075012	266242281	/nfs/dbraw/zinc/24/22/81/266242281.db2.gz	NRSXFDUNSUARLA-UHFFFAOYSA-N	-1	0	250.331	0.902	20	30		CCEDRM
CC[C@]1(C(=O)[O-])CCN(S(=O)(=O)CCCC#N)C1	ZINC000370420097	267317429	/nfs/dbraw/zinc/31/74/29/267317429.db2.gz	DUEFZRIKYBDZKU-NSHDSACASA-N	-1	0	274.342	0.807	20	30		CCEDRM
CN([C@H]1C[C@@H](C(=O)[O-])C1)S(=O)(=O)c1cncc(C#N)c1	ZINC000530142596	267327542	/nfs/dbraw/zinc/32/75/42/267327542.db2.gz	HLRGJZZTMLYGRR-AOOOYVTPSA-N	-1	0	295.320	0.437	20	30		CCEDRM
Cn1nncc1/C=C/c1nc(C(=O)[O-])ccc1C#N	ZINC000430976703	303108549	/nfs/dbraw/zinc/10/85/49/303108549.db2.gz	HEPNFYMVGBVIIA-HWKANZROSA-N	-1	0	255.237	0.950	20	30		CCEDRM
N#C[C@H]1CC[C@@H](NC(=O)N=c2nc3ccccn3[n-]2)C1	ZINC000333371595	303168237	/nfs/dbraw/zinc/16/82/37/303168237.db2.gz	JBYZCYODEOVKKZ-VHSXEESVSA-N	-1	0	270.296	0.965	20	30		CCEDRM
CO[C@H](CS(=O)(=O)[N-]c1ccc(C#N)c(C)n1)C1CC1	ZINC000582062471	327826900	/nfs/dbraw/zinc/82/69/00/327826900.db2.gz	KXCDNFIQBDBWEW-GFCCVEGCSA-N	-1	0	295.364	0.850	20	30		CCEDRM
C=CCOC[C@H](NC(=O)NCC1(SC)CC1)C(=O)[O-]	ZINC000583484610	328300172	/nfs/dbraw/zinc/30/01/72/328300172.db2.gz	RHDZHSAJIRDFLN-VIFPVBQESA-N	-1	0	288.369	0.837	20	30		CCEDRM
CN(CC(C)(C)O)C([O-])=Nc1cccn(C)c1=O	ZINC000331099397	328476993	/nfs/dbraw/zinc/47/69/93/328476993.db2.gz	CFERVBOKUSFDGS-UHFFFAOYSA-N	-1	0	253.302	0.634	20	30		CCEDRM
COc1cc([N-]S(=O)(=O)c2ccc(C#N)nc2)nn1C	ZINC000312781590	326968180	/nfs/dbraw/zinc/96/81/80/326968180.db2.gz	OELDJHFOKLNQAH-UHFFFAOYSA-N	-1	0	293.308	0.496	20	30		CCEDRM
C=CCOC[C@H](NS(=O)(=O)c1ccsc1)C(=O)[O-]	ZINC000569336683	327030456	/nfs/dbraw/zinc/03/04/56/327030456.db2.gz	JAEHIHYGDWTIHB-VIFPVBQESA-N	-1	0	291.350	0.682	20	30		CCEDRM
CC(C)CN(CC(=O)[O-])S(=O)(=O)N(C)[C@@H](C)CC#N	ZINC000570215231	327577506	/nfs/dbraw/zinc/57/75/06/327577506.db2.gz	DUWKMDLOZLLENF-JTQLQIEISA-N	-1	0	291.373	0.508	20	30		CCEDRM
C=CCOC[C@@H](NS(=O)(=O)CC1CCCC1)C(=O)[O-]	ZINC000582723885	329130860	/nfs/dbraw/zinc/13/08/60/329130860.db2.gz	RLAZLOSUAIPAJB-LLVKDONJSA-N	-1	0	291.369	0.752	20	30		CCEDRM
C=C[C@](C)(CCOC)C(=O)[N-]S(=O)(=O)C[C@H](C)OC	ZINC000764193134	582034974	/nfs/dbraw/zinc/03/49/74/582034974.db2.gz	FZAQIQNALPFCEI-CMPLNLGQSA-N	-1	0	293.385	0.696	20	30		CCEDRM
C=CCOCCCC(=O)N1C[C@H](OC)C[C@@H]1C(=O)[O-]	ZINC000262171094	330001310	/nfs/dbraw/zinc/00/13/10/330001310.db2.gz	QLUMBSOBGVMGTB-GHMZBOCLSA-N	-1	0	271.313	0.670	20	30		CCEDRM
C=CCC[C@@H](NC(=O)CCCC(=O)N(C)C)C(=O)[O-]	ZINC000262857374	330035702	/nfs/dbraw/zinc/03/57/02/330035702.db2.gz	IIYLDHNIZZPDET-SNVBAGLBSA-N	-1	0	270.329	0.781	20	30		CCEDRM
C=CCOC[C@@H](NC(=O)Cn1nc(C)cc1C)C(=O)[O-]	ZINC000262919547	330036826	/nfs/dbraw/zinc/03/68/26/330036826.db2.gz	GBIQAVDKWIJHCJ-LLVKDONJSA-N	-1	0	281.312	0.272	20	30		CCEDRM
C=CCC[C@@H](NC(=O)c1c(OC)ncnc1OC)C(=O)[O-]	ZINC000262939334	330037302	/nfs/dbraw/zinc/03/73/02/330037302.db2.gz	PRZRMINNIUXUOL-MRVPVSSYSA-N	-1	0	295.295	0.643	20	30		CCEDRM
C#CCOc1ccc(C(=O)N2CCO[C@@H](C(=O)[O-])C2)cc1	ZINC000263012355	330038759	/nfs/dbraw/zinc/03/87/59/330038759.db2.gz	RJKBHDBMYBSVGM-CYBMUJFWSA-N	-1	0	289.287	0.624	20	30		CCEDRM
C=CCOC[C@@H](NC(=O)[C@@]1(C)CCCOC1)C(=O)[O-]	ZINC000263082322	330042668	/nfs/dbraw/zinc/04/26/68/330042668.db2.gz	SBQIXEZQWUIOKU-MFKMUULPSA-N	-1	0	271.313	0.575	20	30		CCEDRM
C=CCOC[C@@H](NC(=O)[C@]1(C)CCCOC1)C(=O)[O-]	ZINC000263082324	330042643	/nfs/dbraw/zinc/04/26/43/330042643.db2.gz	SBQIXEZQWUIOKU-ZWNOBZJWSA-N	-1	0	271.313	0.575	20	30		CCEDRM
C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)NCCC(=O)[O-]	ZINC000263413130	330054164	/nfs/dbraw/zinc/05/41/64/330054164.db2.gz	VIDWSNJJIZMROB-KOLCDFICSA-N	-1	0	256.302	0.742	20	30		CCEDRM
CCCN(CC(=O)[O-])S(=O)(=O)N(CC)CCC#N	ZINC000263483891	330057382	/nfs/dbraw/zinc/05/73/82/330057382.db2.gz	LUQQAWGZSSPYST-UHFFFAOYSA-N	-1	0	277.346	0.263	20	30		CCEDRM
CC#CC[C@H](NS(=O)(=O)CC1CCC1)C(=O)[O-]	ZINC000275017574	330109000	/nfs/dbraw/zinc/10/90/00/330109000.db2.gz	OIBINQWLHQPAFK-JTQLQIEISA-N	-1	0	259.327	0.573	20	30		CCEDRM
C=CCCn1cc(C(=O)N2CC[C@H](C(=O)[O-])C2)nn1	ZINC000424229195	330330761	/nfs/dbraw/zinc/33/07/61/330330761.db2.gz	WLNLIMSMZWAMAF-VIFPVBQESA-N	-1	0	264.285	0.401	20	30		CCEDRM
N#C[C@H]1CC[C@@H](NC(=O)C(=O)NCCCCCC(=O)[O-])C1	ZINC000424395939	330350193	/nfs/dbraw/zinc/35/01/93/330350193.db2.gz	FYRSLAUIFHCBDL-WDEREUQCSA-N	-1	0	295.339	0.556	20	30		CCEDRM
N#CCC1(CS(=O)(=O)N[C@@H](C(=O)[O-])C2CCC2)CC1	ZINC000515853746	330483528	/nfs/dbraw/zinc/48/35/28/330483528.db2.gz	JXKWGCPLMDVRJS-SNVBAGLBSA-N	-1	0	286.353	0.853	20	30		CCEDRM
C=CCC[C@@H](CO)N=c1nc(CCOC)[n-]s1	ZINC000450891399	331005124	/nfs/dbraw/zinc/00/51/24/331005124.db2.gz	AFPJLEYKNBJGBJ-VIFPVBQESA-N	-1	0	257.359	0.888	20	30		CCEDRM
C=CCOC[C@H](NC(=O)c1cccc2c1OCO2)C(=O)[O-]	ZINC000455876012	331179374	/nfs/dbraw/zinc/17/93/74/331179374.db2.gz	KOMFHECFQJAXMJ-JTQLQIEISA-N	-1	0	293.275	0.801	20	30		CCEDRM
C=CCOC[C@H](NC(=O)c1cc([N+](=O)[O-])c[nH]1)C(=O)[O-]	ZINC000455900295	331179922	/nfs/dbraw/zinc/17/99/22/331179922.db2.gz	JLEDJKSOUGRFQM-VIFPVBQESA-N	-1	0	283.240	0.309	20	30		CCEDRM
C#CCN(CC#CC)CC(=O)N=c1cc[nH]n1CCC	ZINC000490689786	332104621	/nfs/dbraw/zinc/10/46/21/332104621.db2.gz	PNWOGPIPYCANJN-UHFFFAOYSA-N	-1	0	272.352	0.612	20	30		CCEDRM
C#CCN(CC#N)C(=O)c1ccccc1[N-]S(C)(=O)=O	ZINC000490994883	332137113	/nfs/dbraw/zinc/13/71/13/332137113.db2.gz	GPJPSJGZAVUIES-UHFFFAOYSA-N	-1	0	291.332	0.657	20	30		CCEDRM
C#CCN(C)C(=O)N=c1nc([C@@H](C)OC)[n-]s1	ZINC000491644830	332263056	/nfs/dbraw/zinc/26/30/56/332263056.db2.gz	LZANAJXARBTSSY-SSDOTTSWSA-N	-1	0	254.315	0.764	20	30		CCEDRM
C#C[C@@H](CC)NC(=O)C(C)(C)[N-]C(=O)C(F)(F)F	ZINC000491697011	332292280	/nfs/dbraw/zinc/29/22/80/332292280.db2.gz	PDZFLWLIBQLFEI-ZETCQYMHSA-N	-1	0	264.247	0.972	20	30		CCEDRM
C=C[C@@H](C)O[N-]C(=O)C1(O)CN(C(=O)OC(C)(C)C)C1	ZINC000496280146	332544851	/nfs/dbraw/zinc/54/48/51/332544851.db2.gz	BFZJNDVJMGBCKW-SECBINFHSA-N	-1	0	286.328	0.591	20	30		CCEDRM
C#CCO[N-]C(=O)[C@H]1C[C@H](OC)CN1C(=O)OC(C)(C)C	ZINC000496471867	332550487	/nfs/dbraw/zinc/55/04/87/332550487.db2.gz	NCNBOUMVRCHHHO-WDEREUQCSA-N	-1	0	298.339	0.692	20	30		CCEDRM
C=CCC[C@H](NS(=O)(=O)N1CCC[C@H]1C)C(=O)[O-]	ZINC000575927309	335132159	/nfs/dbraw/zinc/13/21/59/335132159.db2.gz	AUXVOXABKHGJFI-ZJUUUORDSA-N	-1	0	276.358	0.725	20	30		CCEDRM
C=CCC[C@@H](NS(=O)(=O)N1CCC[C@@H]1C)C(=O)[O-]	ZINC000575927308	335132248	/nfs/dbraw/zinc/13/22/48/335132248.db2.gz	AUXVOXABKHGJFI-VHSXEESVSA-N	-1	0	276.358	0.725	20	30		CCEDRM
C=CCC[C@@H](NS(=O)(=O)c1cccnc1)C(=O)[O-]	ZINC000315705316	333383239	/nfs/dbraw/zinc/38/32/39/333383239.db2.gz	FPBFRKWPCUWNFH-SNVBAGLBSA-N	-1	0	270.310	0.779	20	30		CCEDRM
CC(=O)Nc1cc(C([O-])=C(C#N)C(=O)NC(C)C)ccn1	ZINC000528917308	333464623	/nfs/dbraw/zinc/46/46/23/333464623.db2.gz	HHYQVZQECFTOPF-NSHDSACASA-N	-1	0	288.307	0.887	20	30		CCEDRM
N#CCNC(=O)c1nn(-c2ccc(F)cc2)cc1[O-]	ZINC000126480808	333598064	/nfs/dbraw/zinc/59/80/64/333598064.db2.gz	HPCXMJORFKHGAD-UHFFFAOYSA-N	-1	0	260.228	0.970	20	30		CCEDRM
C[C@H]1CCN(S(=O)(=O)N(C)CCC#N)[C@@H](C(=O)[O-])C1	ZINC000548250933	334147157	/nfs/dbraw/zinc/14/71/57/334147157.db2.gz	YTHSOSSAWAXDSJ-VHSXEESVSA-N	-1	0	289.357	0.262	20	30		CCEDRM
C[C@H](CCC(=O)[O-])NS(=O)(=O)CC1(C#N)CC1	ZINC000548268506	334147760	/nfs/dbraw/zinc/14/77/60/334147760.db2.gz	DLCNRSZCGQKRAT-MRVPVSSYSA-N	-1	0	260.315	0.463	20	30		CCEDRM
CSCC[C@@H](NS(=O)(=O)CCCC#N)C(=O)[O-]	ZINC000548537892	334162552	/nfs/dbraw/zinc/16/25/52/334162552.db2.gz	ODDZNLOEHSCFNU-MRVPVSSYSA-N	-1	0	280.371	0.416	20	30		CCEDRM
C=CCN(CC(=O)[O-])S(=O)(=O)N1CCC[C@@H]1C	ZINC000548562612	334162739	/nfs/dbraw/zinc/16/27/39/334162739.db2.gz	XLOKIWBAAWAPRB-VIFPVBQESA-N	-1	0	262.331	0.288	20	30		CCEDRM
C[C@@H]1CCN(S(=O)(=O)CCC#N)C[C@@H]1C(=O)[O-]	ZINC000565363150	334556382	/nfs/dbraw/zinc/55/63/82/334556382.db2.gz	ILCYKCXQPKOKBD-BDAKNGLRSA-N	-1	0	260.315	0.272	20	30		CCEDRM
C=CCn1c([C@@H]2CCOC2)n[n-]c1=Nc1cnn(C)c1	ZINC000567001426	334672719	/nfs/dbraw/zinc/67/27/19/334672719.db2.gz	DNCNRVPZONOYEF-SNVBAGLBSA-N	-1	0	274.328	0.867	20	30		CCEDRM
N#CCCCS(=O)(=O)N1CC[C@@H](C(=O)[O-])C(F)(F)C1	ZINC000567276035	334700220	/nfs/dbraw/zinc/70/02/20/334700220.db2.gz	QZHJFXQMUIRORX-QMMMGPOBSA-N	-1	0	296.295	0.662	20	30		CCEDRM
C=C[C@H](CCC(=O)[O-])NS(=O)(=O)c1ccc(N)cc1	ZINC000567328718	334703909	/nfs/dbraw/zinc/70/39/09/334703909.db2.gz	XRAKBNNSJIENSJ-SNVBAGLBSA-N	-1	0	284.337	0.967	20	30		CCEDRM
C=C[C@@H](CCC(=O)[O-])NS(=O)(=O)C[C@H](C)C(=O)OC	ZINC000569076886	334854233	/nfs/dbraw/zinc/85/42/33/334854233.db2.gz	VQPTZZZQFJNHAX-IUCAKERBSA-N	-1	0	293.341	0.134	20	30		CCEDRM
C[C@@H]([C@@H](NS(=O)(=O)CC1(C#N)CC1)C(=O)[O-])C1CC1	ZINC000573070545	334905522	/nfs/dbraw/zinc/90/55/22/334905522.db2.gz	BCALHXQSYYHSOV-PSASIEDQSA-N	-1	0	286.353	0.709	20	30		CCEDRM
N#CCc1ccc(CS(=O)(=O)NCCC(=O)[O-])cc1	ZINC000578770043	335673201	/nfs/dbraw/zinc/67/32/01/335673201.db2.gz	JDVLVUKHXRXAFS-UHFFFAOYSA-N	-1	0	282.321	0.647	20	30		CCEDRM
C[C@@H](C#N)CN(C)S(=O)(=O)NCC[C@H](C)CC(=O)[O-]	ZINC000579360312	335739652	/nfs/dbraw/zinc/73/96/52/335739652.db2.gz	CDABLOAOOLNMFJ-UWVGGRQHSA-N	-1	0	291.373	0.413	20	30		CCEDRM
C#CCN(CC#N)S(=O)(=O)c1ccc(F)c(C(=O)[O-])c1	ZINC000382559106	336093645	/nfs/dbraw/zinc/09/36/45/336093645.db2.gz	KWMAOIJUPPZYJR-UHFFFAOYSA-N	-1	0	296.279	0.671	20	30		CCEDRM
CC(C)(C)n1cc(C#N)c(=NC(=O)C(=O)NCC(F)F)[n-]1	ZINC000359239356	519146420	/nfs/dbraw/zinc/14/64/20/519146420.db2.gz	KQRDEPYMPCJGDP-UHFFFAOYSA-N	-1	0	299.281	0.251	20	30		CCEDRM
CC(C)(C)c1nc(=NC(=O)Cn2cnc(C#N)n2)s[n-]1	ZINC000426449771	526854097	/nfs/dbraw/zinc/85/40/97/526854097.db2.gz	VQBFENVQELAHGT-UHFFFAOYSA-N	-1	0	291.340	0.359	20	30		CCEDRM
C=CC[C@@H](CO)NC(=O)N=c1nc(CCC)[n-]s1	ZINC000350869647	527088718	/nfs/dbraw/zinc/08/87/18/527088718.db2.gz	QGXHRGXZOWKRRV-QMMMGPOBSA-N	-1	0	270.358	0.971	20	30		CCEDRM
C=CC[C@@H](CO)NC(=O)N=c1nc([C@H](C)OC)[n-]s1	ZINC000350636261	527088768	/nfs/dbraw/zinc/08/87/68/527088768.db2.gz	GHABFVUVMDAVIP-YUMQZZPRSA-N	-1	0	286.357	0.726	20	30		CCEDRM
C=CCn1cc(C(=O)N[C@@H](C(=O)[O-])C2CCOCC2)nn1	ZINC000668305238	545172239	/nfs/dbraw/zinc/17/22/39/545172239.db2.gz	IBVOGSQDLQLTTP-LLVKDONJSA-N	-1	0	294.311	0.074	20	30		CCEDRM
C=CCN(C(=O)c1n[nH]c(C)c1[O-])[C@H]1CCS(=O)(=O)C1	ZINC000676707080	545349903	/nfs/dbraw/zinc/34/99/03/545349903.db2.gz	XONNEAZQLVKFRA-VIFPVBQESA-N	-1	0	299.352	0.239	20	30		CCEDRM
C=CCCOCC(=O)N[C@@]1(C(=O)[O-])CCSC1	ZINC000678984546	545400770	/nfs/dbraw/zinc/40/07/70/545400770.db2.gz	CLLJZDQNRKAGLQ-NSHDSACASA-N	-1	0	259.327	0.656	20	30		CCEDRM
C=CCCCNC(=O)Cn1[n-]cc2c(=O)ncnc1-2	ZINC000791056155	581206396	/nfs/dbraw/zinc/20/63/96/581206396.db2.gz	FAYNITMBBZWVEX-UHFFFAOYSA-N	-1	0	261.285	0.154	20	30		CCEDRM
C=CCS(=O)(=O)[N-]C(=O)c1cn(C)nc1-c1ccoc1	ZINC000789462245	581149940	/nfs/dbraw/zinc/14/99/40/581149940.db2.gz	ZEHYHYHAZPVPDX-UHFFFAOYSA-N	-1	0	295.320	0.926	20	30		CCEDRM
N#CCN(CC(=O)[O-])S(=O)(=O)c1c(F)cccc1F	ZINC000739087143	581175033	/nfs/dbraw/zinc/17/50/33/581175033.db2.gz	WGNYRBBOLCKESD-UHFFFAOYSA-N	-1	0	290.247	0.564	20	30		CCEDRM
N#CCN(CC(=O)[O-])C(=O)c1ccc2c(c1)CCC(=O)N2	ZINC000739085663	581175065	/nfs/dbraw/zinc/17/50/65/581175065.db2.gz	CFZNGBIHAUNYGW-UHFFFAOYSA-N	-1	0	287.275	0.622	20	30		CCEDRM
COC(=O)c1cc(C=NNc2nnc(C)c(=O)[n-]2)cn1C	ZINC000790149224	581178451	/nfs/dbraw/zinc/17/84/51/581178451.db2.gz	UKJKBMVEXZWQIW-UHFFFAOYSA-N	-1	0	290.283	0.457	20	30		CCEDRM
C[C@H](CCNS(=O)(=O)c1ccc(C#N)nc1)NC(=O)[O-]	ZINC000738906226	581178698	/nfs/dbraw/zinc/17/86/98/581178698.db2.gz	ONXLMYRUSGBUTJ-MRVPVSSYSA-N	-1	0	298.324	0.278	20	30		CCEDRM
C[C@@H]1CN(c2nccnc2C#N)C[C@H](C)N1C(=O)[O-]	ZINC000739196034	581200921	/nfs/dbraw/zinc/20/09/21/581200921.db2.gz	FDQIQHZTXOKBBZ-DTORHVGOSA-N	-1	0	261.285	0.925	20	30		CCEDRM
C#CCCS(=O)(=O)[N-]C(=O)[C@H](C)OC[C@@H]1CCCO1	ZINC000791110430	581207669	/nfs/dbraw/zinc/20/76/69/581207669.db2.gz	DIMOQCGHGHLLPR-QWRGUYRKSA-N	-1	0	289.353	0.040	20	30		CCEDRM
N#Cc1ccc([C@H](O)C(=O)OCc2n[nH]c(=O)[n-]2)cc1	ZINC000780205224	581222320	/nfs/dbraw/zinc/22/23/20/581222320.db2.gz	KUPHJMHHSITNQB-JTQLQIEISA-N	-1	0	274.236	0.159	20	30		CCEDRM
N#CCOC(=O)[C@H]1CCCN1c1ccc(-c2nn[nH]n2)cc1	ZINC000737695742	581232472	/nfs/dbraw/zinc/23/24/72/581232472.db2.gz	MBLRYRTWKJEQIF-GFCCVEGCSA-N	-1	0	298.306	0.902	20	30		CCEDRM
CC[C@H](NN=C(C)c1ccc(-n2cnnn2)cc1)C(=O)[O-]	ZINC000793077661	581283515	/nfs/dbraw/zinc/28/35/15/581283515.db2.gz	GFGJXRCSUPKTCC-LBPRGKRZSA-N	-1	0	288.311	0.839	20	30		CCEDRM
CSCCC(=O)[N-]S(=O)(=O)CC1(C#N)CC1	ZINC000793194751	581287783	/nfs/dbraw/zinc/28/77/83/581287783.db2.gz	XBUYABFUWDDZMU-UHFFFAOYSA-N	-1	0	262.356	0.489	20	30		CCEDRM
CC1(C)CCC[C@H]1NN=Cc1cn(CC(=O)[O-])nn1	ZINC000782290644	581295697	/nfs/dbraw/zinc/29/56/97/581295697.db2.gz	ZRCOGRZMOZQPKY-SNVBAGLBSA-N	-1	0	265.317	0.865	20	30		CCEDRM
N#CCN1CCC(NC(=O)[C@@H]2CCN(C(=O)[O-])C2)CC1	ZINC000740305993	581322409	/nfs/dbraw/zinc/32/24/09/581322409.db2.gz	ZLUVDCJSQKMLST-SNVBAGLBSA-N	-1	0	280.328	0.090	20	30		CCEDRM
N#CCNC(=O)CN1CCCC[C@H]1[C@@H]1CCCN1C(=O)[O-]	ZINC000740305329	581322572	/nfs/dbraw/zinc/32/25/72/581322572.db2.gz	LUSJVLZMTYFOBI-RYUDHWBXSA-N	-1	0	294.355	0.623	20	30		CCEDRM
N#CC1(C(=O)NC[C@@H]2CCCN(C(=O)[O-])C2)CCOCC1	ZINC000740309914	581323831	/nfs/dbraw/zinc/32/38/31/581323831.db2.gz	PKKRYKWOFOQANQ-NSHDSACASA-N	-1	0	295.339	0.813	20	30		CCEDRM
C#CCN1CCN(C(=O)[C@@H]2CCC[C@H](NC(=O)[O-])C2)CC1	ZINC000738459635	581333215	/nfs/dbraw/zinc/33/32/15/581333215.db2.gz	BKOYJEXPMULXIU-OLZOCXBDSA-N	-1	0	293.367	0.590	20	30		CCEDRM
C#CCNC(=O)[C@H](NC(=O)[O-])c1ccccc1OC	ZINC000738460617	581333415	/nfs/dbraw/zinc/33/34/15/581333415.db2.gz	LIRDTDMXKNDLRY-LLVKDONJSA-N	-1	0	262.265	0.753	20	30		CCEDRM
C#CCNC(=O)[C@@H](C)N1C[C@@H](C)N(C(=O)[O-])[C@@H](C)C1	ZINC000738462267	581334474	/nfs/dbraw/zinc/33/44/74/581334474.db2.gz	XWNBKPHWVWFZLL-OUAUKWLOSA-N	-1	0	267.329	0.197	20	30		CCEDRM
C=C[C@](C)(CCOC)C(=O)[N-]S(=O)(=O)CCOC	ZINC000783092573	581335745	/nfs/dbraw/zinc/33/57/45/581335745.db2.gz	WYFIDBWERIDLQZ-LLVKDONJSA-N	-1	0	279.358	0.308	20	30		CCEDRM
C#Cc1ccc(C(=O)NC(C)(C)CNC(=O)[O-])nc1	ZINC000738468101	581342115	/nfs/dbraw/zinc/34/21/15/581342115.db2.gz	TXUHSOHTEHURNT-UHFFFAOYSA-N	-1	0	261.281	0.839	20	30		CCEDRM
C=C(Br)COC(=O)[C@@H]1C[C@H](O)CN1C(=O)[O-]	ZINC000738470527	581343717	/nfs/dbraw/zinc/34/37/17/581343717.db2.gz	JFTFDVUPLXWMAY-BQBZGAKWSA-N	-1	0	294.101	0.551	20	30		CCEDRM
C=C(C)CN(CC)C(=O)[C@@H]1C[C@H](O)CN1C(=O)[O-]	ZINC000738470096	581343722	/nfs/dbraw/zinc/34/37/22/581343722.db2.gz	HYXLMYBDONVZGM-UWVGGRQHSA-N	-1	0	256.302	0.524	20	30		CCEDRM
COCCC(=O)OCc1cc(=O)n2[n-]cc(C#N)c2n1	ZINC000783408826	581346506	/nfs/dbraw/zinc/34/65/06/581346506.db2.gz	HZVDPMKCHHADLW-UHFFFAOYSA-N	-1	0	276.252	0.386	20	30		CCEDRM
C#CCOCCNC(=O)[C@@H]1CC=CC[C@H]1C(=O)[O-]	ZINC000783686040	581356068	/nfs/dbraw/zinc/35/60/68/581356068.db2.gz	VSXLXZPHJKHTIU-GHMZBOCLSA-N	-1	0	251.282	0.419	20	30		CCEDRM
NC(=O)CON=Cc1ccc(C(=O)[O-])cc1Cl	ZINC000783865273	581366243	/nfs/dbraw/zinc/36/62/43/581366243.db2.gz	XVGPLNVXBKYYSN-UHFFFAOYSA-N	-1	0	256.645	0.874	20	30		CCEDRM
Cc1cnn(C)c1C=CC([O-])=C1C(=O)C=C(C)OC1=O	ZINC000794692011	581383787	/nfs/dbraw/zinc/38/37/87/581383787.db2.gz	SPRGXTVDHODRAP-IHVVCDCBSA-N	-1	0	274.276	0.957	20	30		CCEDRM
CC(C)[C@@H](F)C(=O)[N-]S(=O)(=O)CC(C)(C)C#N	ZINC000784541270	581387567	/nfs/dbraw/zinc/38/75/67/581387567.db2.gz	OQCTXQVVJHYZNW-MRVPVSSYSA-N	-1	0	264.322	0.976	20	30		CCEDRM
CCOC(=O)c1c(C)[nH]nc1S(=O)(=O)NCCC#N	ZINC000785282612	581404284	/nfs/dbraw/zinc/40/42/84/581404284.db2.gz	OJURJTPNEQPYBE-UHFFFAOYSA-N	-1	0	286.313	0.087	20	30		CCEDRM
CC[C@@](C)(C#N)C(=O)N1CCO[C@@H](c2nnn[n-]2)C1	ZINC000796264209	581435456	/nfs/dbraw/zinc/43/54/56/581435456.db2.gz	JQFNMOZQOVVXRT-KCJUWKMLSA-N	-1	0	264.289	0.039	20	30		CCEDRM
COC[C@H](C)S(=O)(=O)[N-]C(=O)c1ccnc(C#N)c1	ZINC000796713385	581448877	/nfs/dbraw/zinc/44/88/77/581448877.db2.gz	QSPMHSQYGXYVJK-QMMMGPOBSA-N	-1	0	283.309	0.048	20	30		CCEDRM
C#CCCS(=O)(=O)[N-]C(=O)c1ncccc1Cl	ZINC000797199096	581461673	/nfs/dbraw/zinc/46/16/73/581461673.db2.gz	MFJGMQCTEAXNNO-UHFFFAOYSA-N	-1	0	272.713	0.818	20	30		CCEDRM
C=CCC(C)(C)C(=O)[N-]S(=O)(=O)c1c(C)onc1N	ZINC000797234271	581462462	/nfs/dbraw/zinc/46/24/62/581462462.db2.gz	NDJRWGXDRHVYDL-UHFFFAOYSA-N	-1	0	287.341	0.972	20	30		CCEDRM
CC1(S(=O)(=O)[N-]C(=O)c2ccc(C#N)o2)CC1	ZINC000797251301	581462789	/nfs/dbraw/zinc/46/27/89/581462789.db2.gz	DPIVRBANQHUDBR-UHFFFAOYSA-N	-1	0	254.267	0.763	20	30		CCEDRM
Cn1nncc1[N-]S(=O)(=O)c1ccc(C#N)cc1F	ZINC000788204748	581485334	/nfs/dbraw/zinc/48/53/34/581485334.db2.gz	BGERWJJVVUSEIM-UHFFFAOYSA-N	-1	0	281.272	0.627	20	30		CCEDRM
C=CCN(CC(=O)OCC)C(=O)c1n[nH]c(C)c1[O-]	ZINC000765222070	581506807	/nfs/dbraw/zinc/50/68/07/581506807.db2.gz	LPKMQWDFPPUNLU-UHFFFAOYSA-N	-1	0	267.285	0.615	20	30		CCEDRM
C[C@@H]1CN(C(=O)C2(C#N)CCOCC2)CC[C@@H]1NC(=O)[O-]	ZINC000739118085	581507445	/nfs/dbraw/zinc/50/74/45/581507445.db2.gz	CEPDVIUNVXFVQB-MNOVXSKESA-N	-1	0	295.339	0.811	20	30		CCEDRM
CC(C)[C@](C)(C#N)NC(=O)CN1CCN(C(=O)[O-])[C@H](C)C1	ZINC000739177958	581517914	/nfs/dbraw/zinc/51/79/14/581517914.db2.gz	YEGXNMHSDLXOBL-RISCZKNCSA-N	-1	0	296.371	0.725	20	30		CCEDRM
C[C@H]1OC(C)(C)N(C(=O)[O-])[C@H]1C(=O)N(C)CC#N	ZINC000739198644	581522005	/nfs/dbraw/zinc/52/20/05/581522005.db2.gz	POXYCBNMZGGGTL-HTQZYQBOSA-N	-1	0	255.274	0.472	20	30		CCEDRM
O=C1CN(N=Cc2cccc(Cl)c2[O-])C(=O)N1	ZINC000753162288	581529898	/nfs/dbraw/zinc/52/98/98/581529898.db2.gz	JWUFVKVQFVAUHH-UHFFFAOYSA-N	-1	0	253.645	0.931	20	30		CCEDRM
NC(=O)CNC(=S)NN=Cc1cccc(Cl)c1[O-]	ZINC000753165537	581530226	/nfs/dbraw/zinc/53/02/26/581530226.db2.gz	GOTBBDUYMSELNF-UHFFFAOYSA-N	-1	0	286.744	0.329	20	30		CCEDRM
CCC[C@@H](NC(=O)[O-])C(=O)OCCn1ncc(C#N)c1N	ZINC000739329214	581537487	/nfs/dbraw/zinc/53/74/87/581537487.db2.gz	MCNCHHAHCWYHGS-SECBINFHSA-N	-1	0	295.299	0.316	20	30		CCEDRM
CN(CC(=O)[O-])CC(=O)NCc1ccc(C#N)cc1	ZINC000739631181	581584443	/nfs/dbraw/zinc/58/44/43/581584443.db2.gz	ODTBLVBASWURTP-UHFFFAOYSA-N	-1	0	261.281	0.191	20	30		CCEDRM
CCO[N-]C(=O)C(=O)Nc1nn(C(C)(C)C)cc1C#N	ZINC000785359037	581586839	/nfs/dbraw/zinc/58/68/39/581586839.db2.gz	VAATYHCXEHQQMS-UHFFFAOYSA-N	-1	0	279.300	0.516	20	30		CCEDRM
C#CCOC(=O)Cc1c(C)nc(-c2ncccn2)[n-]c1=O	ZINC000729708926	581610985	/nfs/dbraw/zinc/61/09/85/581610985.db2.gz	CZDLNWQDTNNRGP-UHFFFAOYSA-N	-1	0	284.275	0.667	20	30		CCEDRM
N#Cc1cccc(S(=O)(=O)[N-]C(=O)c2cocn2)c1	ZINC000729887132	581618298	/nfs/dbraw/zinc/61/82/98/581618298.db2.gz	RKEVZNHIQJYPJH-UHFFFAOYSA-N	-1	0	277.261	0.665	20	30		CCEDRM
C=C(C)C[C@@H](C)C(=O)[N-]S(=O)(=O)c1cnccn1	ZINC000768003206	581639746	/nfs/dbraw/zinc/63/97/46/581639746.db2.gz	YKXGYKFOQXGUIR-SECBINFHSA-N	-1	0	269.326	0.884	20	30		CCEDRM
CS(=O)(=O)CCNN=C1CCC[C@@H]1CNC(=O)[O-]	ZINC000739985900	581641988	/nfs/dbraw/zinc/64/19/88/581641988.db2.gz	ZRGIMLCWIXBTIC-MRVPVSSYSA-N	-1	0	277.346	0.044	20	30		CCEDRM
C#Cc1ccc(C(=O)N2CCC(c3nnn[n-]3)CC2)cn1	ZINC000735389715	581642321	/nfs/dbraw/zinc/64/23/21/581642321.db2.gz	HGOMKYQDZVYHEP-UHFFFAOYSA-N	-1	0	282.307	0.596	20	30		CCEDRM
CSCC[C@H](NC(=O)[O-])C(=O)N(C)C[C@H](C)C#N	ZINC000740008280	581643838	/nfs/dbraw/zinc/64/38/38/581643838.db2.gz	JCYDJKVINFSCNB-BDAKNGLRSA-N	-1	0	273.358	0.994	20	30		CCEDRM
CC#CCS(=O)(=O)[N-]C(=O)c1scnc1CC	ZINC000788071941	581650247	/nfs/dbraw/zinc/65/02/47/581650247.db2.gz	QRUKIDWEHSYBMI-UHFFFAOYSA-N	-1	0	272.351	0.788	20	30		CCEDRM
N#CCCCCS(=O)(=O)N1CC[C@@H](NC(=O)[O-])C1	ZINC000740306857	581662859	/nfs/dbraw/zinc/66/28/59/581662859.db2.gz	LWAMPTBUKNTEFR-SECBINFHSA-N	-1	0	275.330	0.352	20	30		CCEDRM
N#C[C@@H]1CN(C(=O)NC[C@H]2CCCCN2C(=O)[O-])CCO1	ZINC000740307426	581663496	/nfs/dbraw/zinc/66/34/96/581663496.db2.gz	RCKMDSHPNRFPJY-GHMZBOCLSA-N	-1	0	296.327	0.453	20	30		CCEDRM
N#Cc1ccc(C(=O)N[C@H](CNC(=O)[O-])C2CC2)cn1	ZINC000740312035	581663830	/nfs/dbraw/zinc/66/38/30/581663830.db2.gz	AFJWVPYTWZOZFI-LLVKDONJSA-N	-1	0	274.280	0.729	20	30		CCEDRM
N#Cc1ccc(NCC(=O)NCCCNC(=O)[O-])cc1	ZINC000740317331	581665241	/nfs/dbraw/zinc/66/52/41/581665241.db2.gz	RSUHCZGLDLADMM-UHFFFAOYSA-N	-1	0	276.296	0.744	20	30		CCEDRM
C=C(C)[C@H](CC(=O)[N-]S(=O)(=O)[C@H]1CCOC1)OCC	ZINC000756565150	581671736	/nfs/dbraw/zinc/67/17/36/581671736.db2.gz	SRBHLAMVULHGMS-QWRGUYRKSA-N	-1	0	291.369	0.593	20	30		CCEDRM
C#CCN(Cc1cc(C(=O)[O-])co1)[C@H]1CCS(=O)(=O)C1	ZINC000736079176	581686723	/nfs/dbraw/zinc/68/67/23/581686723.db2.gz	ISTXHWCSONMUDU-NSHDSACASA-N	-1	0	297.332	0.600	20	30		CCEDRM
C#CCCNc1ccc(C(=O)NCC(=O)[O-])cc1[N+](=O)[O-]	ZINC000736076503	581694267	/nfs/dbraw/zinc/69/42/67/581694267.db2.gz	HWNYASZBZGQYCK-UHFFFAOYSA-N	-1	0	291.263	0.844	20	30		CCEDRM
C=CCN1CCC(NS(=O)(=O)CCCC(=O)[O-])CC1	ZINC000736106768	581696867	/nfs/dbraw/zinc/69/68/67/581696867.db2.gz	KZVXFJKQJJYYPN-UHFFFAOYSA-N	-1	0	290.385	0.421	20	30		CCEDRM
C=CCN(CC=C)C(=O)[C@H](C)OC(=O)[C@@H]1C[C@@H]1C(=O)[O-]	ZINC000736108477	581698564	/nfs/dbraw/zinc/69/85/64/581698564.db2.gz	UVUJZYIKNWEEHL-GARJFASQSA-N	-1	0	281.308	0.839	20	30		CCEDRM
C=CCn1c(C)nn(CN2CCO[C@@H](C(=O)[O-])C2)c1=S	ZINC000736118555	581703691	/nfs/dbraw/zinc/70/36/91/581703691.db2.gz	VWUYYAORYKEGIA-SNVBAGLBSA-N	-1	0	298.368	0.651	20	30		CCEDRM
CC(=NN[C@H](C)CO)c1cc([N+](=O)[O-])ccc1[O-]	ZINC000758117043	581722567	/nfs/dbraw/zinc/72/25/67/581722567.db2.gz	IQAIVRDKSNGFPF-SSDOTTSWSA-N	-1	0	253.258	0.995	20	30		CCEDRM
CN1C(=O)CN([N-]C(=O)c2sccc2C#N)C1=O	ZINC000770452409	581744479	/nfs/dbraw/zinc/74/44/79/581744479.db2.gz	IJMWHYJJSHOVOZ-UHFFFAOYSA-N	-1	0	264.266	0.159	20	30		CCEDRM
CC(C)[C@@](C)(C#N)NC(=O)CN1CCC[C@@H]1C(=O)[O-]	ZINC000736348553	581746738	/nfs/dbraw/zinc/74/67/38/581746738.db2.gz	ALBIZFVFEWXXMX-ZWNOBZJWSA-N	-1	0	267.329	0.590	20	30		CCEDRM
CC(C)[C@@](C)(C#N)NC(=O)Cn1cnc(C(=O)[O-])n1	ZINC000736349195	581748328	/nfs/dbraw/zinc/74/83/28/581748328.db2.gz	ISOFZXFIDNUPLN-LLVKDONJSA-N	-1	0	265.273	0.031	20	30		CCEDRM
C=CCCC(=O)COC(=O)c1cc(=O)[n-]c(OC)n1	ZINC000770508353	581749155	/nfs/dbraw/zinc/74/91/55/581749155.db2.gz	MMOGNDZVRINKNK-UHFFFAOYSA-N	-1	0	266.253	0.883	20	30		CCEDRM
O=C([O-])COc1ccccc1C=NN1CN=NC1=O	ZINC000770621814	581757495	/nfs/dbraw/zinc/75/74/95/581757495.db2.gz	MKUFLPAWTZPOEP-UHFFFAOYSA-N	-1	0	262.225	0.329	20	30		CCEDRM
C=CCOCCNC(=O)C(C)(C)[N-]C(=O)C(F)(F)F	ZINC000759089839	581782714	/nfs/dbraw/zinc/78/27/14/581782714.db2.gz	XAICJEQCRWOPHI-UHFFFAOYSA-N	-1	0	282.262	0.762	20	30		CCEDRM
CNC(=O)C(C#N)=C([O-])c1cnn(-c2ccccn2)c1C	ZINC000759215261	581787228	/nfs/dbraw/zinc/78/72/28/581787228.db2.gz	DZNMJBVKFNXMTE-JTQLQIEISA-N	-1	0	283.291	0.644	20	30		CCEDRM
CCO[C@@H](C)C(=O)[N-]S(=O)(=O)CC1(C#N)CCC1	ZINC000771075962	581789612	/nfs/dbraw/zinc/78/96/12/581789612.db2.gz	BOYZYQHUPRBTDF-VIFPVBQESA-N	-1	0	274.342	0.551	20	30		CCEDRM
N#CC1(CS(=O)(=O)[N-]C(=O)[C@H]2CCCOC2)CCC1	ZINC000771077767	581790255	/nfs/dbraw/zinc/79/02/55/581790255.db2.gz	LLDHANUWWPIJHZ-JTQLQIEISA-N	-1	0	286.353	0.553	20	30		CCEDRM
COCCCCC(=O)[N-]S(=O)(=O)CC1(C#N)CCC1	ZINC000771081237	581790267	/nfs/dbraw/zinc/79/02/67/581790267.db2.gz	PRYDQYNPLBKWMH-UHFFFAOYSA-N	-1	0	288.369	0.943	20	30		CCEDRM
N#CC1(CS(=O)(=O)[N-]C(=O)c2cscn2)CCC1	ZINC000771079780	581790313	/nfs/dbraw/zinc/79/03/13/581790313.db2.gz	YNZWHVXLSPDNMR-UHFFFAOYSA-N	-1	0	285.350	0.897	20	30		CCEDRM
C[C@@H](CN(C1CC1)S(=O)(=O)CCCC#N)C(=O)[O-]	ZINC000736576602	581796891	/nfs/dbraw/zinc/79/68/91/581796891.db2.gz	FMIHCYCLLPMDJZ-VIFPVBQESA-N	-1	0	274.342	0.805	20	30		CCEDRM
C#CCNC(=O)COC(=O)c1cc(F)c([O-])c(F)c1	ZINC000759540151	581805066	/nfs/dbraw/zinc/80/50/66/581805066.db2.gz	ORHPSFMEVZXJQX-UHFFFAOYSA-N	-1	0	269.203	0.577	20	30		CCEDRM
CON=Cc1ccc(C(=O)NCc2nnn[n-]2)cc1	ZINC000732157973	581807326	/nfs/dbraw/zinc/80/73/26/581807326.db2.gz	NODWOSFZABLILC-UHFFFAOYSA-N	-1	0	260.257	0.110	20	30		CCEDRM
C[C@H](OC(=O)[C@H]1C[C@H]1C(=O)[O-])C(=O)N(C)CCC#N	ZINC000736689093	581818827	/nfs/dbraw/zinc/81/88/27/581818827.db2.gz	YEFPYXBNEMZAHW-YIZRAAEISA-N	-1	0	268.269	0.011	20	30		CCEDRM
COCCNC(=O)C(C#N)=C([O-])c1cc(C2CC2)n(C)n1	ZINC000744027551	581830349	/nfs/dbraw/zinc/83/03/49/581830349.db2.gz	YKQVNAICBDTITQ-JTQLQIEISA-N	-1	0	290.323	0.383	20	30		CCEDRM
C=CCOCC(=O)[N-]S(=O)(=O)c1ccccc1OC	ZINC000744207039	581835284	/nfs/dbraw/zinc/83/52/84/581835284.db2.gz	LNHPISWMKSPNKN-UHFFFAOYSA-N	-1	0	285.321	0.703	20	30		CCEDRM
N#Cc1ccc(C(=O)[N-]S(=O)(=O)CC(F)(F)F)cn1	ZINC000744264473	581837259	/nfs/dbraw/zinc/83/72/59/581837259.db2.gz	KAYGTPLCLZUGCN-UHFFFAOYSA-N	-1	0	293.226	0.575	20	30		CCEDRM
N#CCSCC(=O)[N-]S(=O)(=O)CC(F)(F)F	ZINC000744266911	581837301	/nfs/dbraw/zinc/83/73/01/581837301.db2.gz	OIGHHIWLFZHXAC-UHFFFAOYSA-N	-1	0	276.261	0.251	20	30		CCEDRM
C=CCNC(=O)C(C#N)=C([O-])c1cc(C(=O)OC)co1	ZINC000760183526	581847918	/nfs/dbraw/zinc/84/79/18/581847918.db2.gz	MUVAPQFFOGAAEN-VIFPVBQESA-N	-1	0	276.248	0.691	20	30		CCEDRM
CCCC(=O)N1CCC[C@H](C(=O)N(CC#N)CC(=O)[O-])C1	ZINC000736949698	581871381	/nfs/dbraw/zinc/87/13/81/581871381.db2.gz	VKMMHXVZCBOLLM-NSHDSACASA-N	-1	0	295.339	0.462	20	30		CCEDRM
C=CCS(=O)(=O)[N-]C(=O)c1ccc([N+](=O)[O-])n1C	ZINC000772711438	581885057	/nfs/dbraw/zinc/88/50/57/581885057.db2.gz	ZIKJQHPTCZLEDL-UHFFFAOYSA-N	-1	0	273.270	0.179	20	30		CCEDRM
C=CCS(=O)(=O)[N-]C(=O)/C=C/c1cnn(C)c1	ZINC000772723771	581886551	/nfs/dbraw/zinc/88/65/51/581886551.db2.gz	SKIUZBASFJXFHV-SNAWJCMRSA-N	-1	0	255.299	0.065	20	30		CCEDRM
C=CCS(=O)(=O)[N-]C(=O)COCc1cccc(OC)c1	ZINC000772724282	581887016	/nfs/dbraw/zinc/88/70/16/581887016.db2.gz	XTGCEWLPNOBAJA-UHFFFAOYSA-N	-1	0	299.348	0.844	20	30		CCEDRM
CCN(CC#N)S(=O)(=O)c1ccc(C(=O)[O-])o1	ZINC000737069114	581895258	/nfs/dbraw/zinc/89/52/58/581895258.db2.gz	YPMNYVIJHNKIIQ-UHFFFAOYSA-N	-1	0	258.255	0.512	20	30		CCEDRM
Cn1ccc(/C=C\C(=O)c2cnc([O-])n(C)c2=O)n1	ZINC000773152276	581910667	/nfs/dbraw/zinc/91/06/67/581910667.db2.gz	DJZOOVHUXHNFQB-ARJAWSKDSA-N	-1	0	260.253	0.116	20	30		CCEDRM
C=CCN(CC(=O)[O-])C(=O)CNC(=O)NCc1ccco1	ZINC000762051420	581930109	/nfs/dbraw/zinc/93/01/09/581930109.db2.gz	VQBJNPQAMUAYFR-UHFFFAOYSA-N	-1	0	295.295	0.178	20	30		CCEDRM
C=CCOCCCC(=O)[N-]S(=O)(=O)C[C@@H]1CCOC1	ZINC000762143262	581933395	/nfs/dbraw/zinc/93/33/95/581933395.db2.gz	XQMMVQBTKNTAQQ-LLVKDONJSA-N	-1	0	291.369	0.452	20	30		CCEDRM
C=CCN(CC(=O)[O-])S(=O)(=O)[C@@H](C)C(F)(F)F	ZINC000275304370	581937297	/nfs/dbraw/zinc/93/72/97/581937297.db2.gz	NOFFXJZHNJBVFS-LURJTMIESA-N	-1	0	275.248	0.840	20	30		CCEDRM
CC(C)NC(=O)C(C#N)=C([O-])c1cnc2c(cnn2C)c1	ZINC000747479289	581942338	/nfs/dbraw/zinc/94/23/38/581942338.db2.gz	LGCGMODFSPBLRG-LLVKDONJSA-N	-1	0	285.307	0.815	20	30		CCEDRM
COc1ncnc(N)c1C=[NH+][N-]c1ncnc2[n-]cnc21	ZINC000747632726	581947670	/nfs/dbraw/zinc/94/76/70/581947670.db2.gz	HIKOQGZAZHBYGG-UHFFFAOYSA-N	-1	0	285.271	0.180	20	30		CCEDRM
CC(C)NC(=O)C(C#N)=C([O-])c1ccnc(N(C)C)c1	ZINC000773977664	581950692	/nfs/dbraw/zinc/95/06/92/581950692.db2.gz	PCXDLNHVMCBSHU-NSHDSACASA-N	-1	0	274.324	0.995	20	30		CCEDRM
COCCNC(=O)C(C#N)=C([O-])c1cc(C)sn1	ZINC000774044187	581954726	/nfs/dbraw/zinc/95/47/26/581954726.db2.gz	RBTRCRGBLWGOIP-MRVPVSSYSA-N	-1	0	267.310	0.537	20	30		CCEDRM
C=CCS(=O)(=O)[N-]C(=O)CN(C)[C@@H]1CCSC1	ZINC000774248139	581966920	/nfs/dbraw/zinc/96/69/20/581966920.db2.gz	BGQNLAWWSQFTEI-SECBINFHSA-N	-1	0	278.399	0.056	20	30		CCEDRM
N#CC1(CS(=O)(=O)[N-]C(=O)Cc2ccoc2)CCC1	ZINC000774503795	581977000	/nfs/dbraw/zinc/97/70/00/581977000.db2.gz	UKOPXTLSTFMXRL-UHFFFAOYSA-N	-1	0	282.321	0.962	20	30		CCEDRM
CO[C@@H](C)CS(=O)(=O)[N-]C(=O)Cc1ccc(C#N)cc1	ZINC000764183029	582034457	/nfs/dbraw/zinc/03/44/57/582034457.db2.gz	UZCOEOMDWUZIDG-JTQLQIEISA-N	-1	0	296.348	0.582	20	30		CCEDRM
C=C[C@@](C)(CCOC)C(=O)[N-]S(=O)(=O)C[C@@H](C)OC	ZINC000764193140	582034798	/nfs/dbraw/zinc/03/47/98/582034798.db2.gz	FZAQIQNALPFCEI-PWSUYJOCSA-N	-1	0	293.385	0.696	20	30		CCEDRM
N#Cc1ccc(C(=O)N2CCC[C@@H](NC(=O)[O-])C2)nc1	ZINC000738431225	582048909	/nfs/dbraw/zinc/04/89/09/582048909.db2.gz	UQQHFWFJCISUDP-SNVBAGLBSA-N	-1	0	274.280	0.825	20	30		CCEDRM
N#Cc1ccc(CNC(=O)CNC(=O)[O-])c(F)c1	ZINC000738433095	582049172	/nfs/dbraw/zinc/04/91/72/582049172.db2.gz	XDKIXFCXFOUNRG-UHFFFAOYSA-N	-1	0	251.217	0.581	20	30		CCEDRM
C[C@@H](C(=O)[N-]S(=O)(=O)CCCC#N)c1cnn(C)c1	ZINC000776116015	582052221	/nfs/dbraw/zinc/05/22/21/582052221.db2.gz	FPNKGSLQYLGULR-SECBINFHSA-N	-1	0	284.341	0.273	20	30		CCEDRM
C#CCCNC(=O)C1(NC(=O)[O-])Cc2ccccc2C1	ZINC000738457494	582052622	/nfs/dbraw/zinc/05/26/22/582052622.db2.gz	PFMPGVRNTCQUSE-UHFFFAOYSA-N	-1	0	272.304	0.931	20	30		CCEDRM
COCCCCC(=O)[N-]S(=O)(=O)CCCC#N	ZINC000776123703	582052841	/nfs/dbraw/zinc/05/28/41/582052841.db2.gz	UHNOQKSZWFIZTP-UHFFFAOYSA-N	-1	0	262.331	0.553	20	30		CCEDRM
C#CCN1CCC[C@H]1C(=O)NC[C@H]1CCCN1C(=O)[O-]	ZINC000738461471	582053248	/nfs/dbraw/zinc/05/32/48/582053248.db2.gz	SORVNBUBLBEUCK-NEPJUHHUSA-N	-1	0	279.340	0.343	20	30		CCEDRM
C=C(C)CN(CC)C(=O)[C@@H]1COCCN1C(=O)[O-]	ZINC000738471714	582053724	/nfs/dbraw/zinc/05/37/24/582053724.db2.gz	XYUFWAATUQQLAR-JTQLQIEISA-N	-1	0	256.302	0.790	20	30		CCEDRM
C#CCOC(=O)C(C)(C)N1CCN(C(=O)[O-])CC1	ZINC000738463105	582053789	/nfs/dbraw/zinc/05/37/89/582053789.db2.gz	MVDVSGIMOGLNJP-UHFFFAOYSA-N	-1	0	254.286	0.237	20	30		CCEDRM
C#CCOc1ccc(C(=O)NC2CN(C(=O)[O-])C2)cc1	ZINC000738466665	582053901	/nfs/dbraw/zinc/05/39/01/582053901.db2.gz	CXTHWAJOBQGNQZ-UHFFFAOYSA-N	-1	0	274.276	0.791	20	30		CCEDRM
Cn1cc(/C=C/C(=O)[N-]S(=O)(=O)CC(C)(C)C#N)cn1	ZINC000776143531	582054021	/nfs/dbraw/zinc/05/40/21/582054021.db2.gz	QNFHFMYGUYTIJP-SNAWJCMRSA-N	-1	0	296.352	0.429	20	30		CCEDRM
C=C(C)CN(CC)C(=O)COC(=O)[C@H]1CCN(C(=O)[O-])C1	ZINC000738470129	582054254	/nfs/dbraw/zinc/05/42/54/582054254.db2.gz	IUERVMKRBSFMIG-NSHDSACASA-N	-1	0	298.339	0.954	20	30		CCEDRM
C#Cc1ccc(C(=O)N2CC[C@@H](CNC(=O)[O-])C2)cn1	ZINC000738468858	582054262	/nfs/dbraw/zinc/05/42/62/582054262.db2.gz	BGWBJUUKGAGKOD-JTQLQIEISA-N	-1	0	273.292	0.793	20	30		CCEDRM
C#CCSCCNC(=O)NC[C@@H]1CCCN1C(=O)[O-]	ZINC000738469787	582054526	/nfs/dbraw/zinc/05/45/26/582054526.db2.gz	GOPZNIXRXCKUMT-JTQLQIEISA-N	-1	0	285.369	0.794	20	30		CCEDRM
CCCCOCC(=O)[N-]S(=O)(=O)CC(C)(C)C#N	ZINC000776144984	582054595	/nfs/dbraw/zinc/05/45/95/582054595.db2.gz	ZBZHSBLPPHBIDW-UHFFFAOYSA-N	-1	0	276.358	0.799	20	30		CCEDRM
C=C(Cl)CNC(=O)[C@H]1CSCN1C(=O)[O-]	ZINC000738485601	582055588	/nfs/dbraw/zinc/05/55/88/582055588.db2.gz	MKUULIULRXXQEA-ZCFIWIBFSA-N	-1	0	250.707	0.908	20	30		CCEDRM
C#CCOc1ccccc1NC(=O)c1cc(=O)[nH][n-]1	ZINC000776273661	582065939	/nfs/dbraw/zinc/06/59/39/582065939.db2.gz	GBKVPGMTKNMTJZ-UHFFFAOYSA-N	-1	0	257.249	0.513	20	30		CCEDRM
O=[N+]([O-])c1ccc([O-])cc1C=NN[C@H]1CCS(=O)(=O)C1	ZINC000751127100	582070751	/nfs/dbraw/zinc/07/07/51/582070751.db2.gz	HZPVXJYFEVUSKG-VIFPVBQESA-N	-1	0	299.308	0.411	20	30		CCEDRM
CC(C)(CC(=O)NC1CCN(CC#N)CC1)NC(=O)[O-]	ZINC000738733557	582072844	/nfs/dbraw/zinc/07/28/44/582072844.db2.gz	XJSKJBVHCRVZGQ-UHFFFAOYSA-N	-1	0	282.344	0.527	20	30		CCEDRM
CC(C)[C@@H](CNS(=O)(=O)CCCCC#N)NC(=O)[O-]	ZINC000738793929	582077165	/nfs/dbraw/zinc/07/71/65/582077165.db2.gz	NSIQLEIZPDHUNH-SNVBAGLBSA-N	-1	0	291.373	0.892	20	30		CCEDRM
C=CCC[C@H](NS(=O)(=O)C[C@H](C)C(=O)OC)C(=O)[O-]	ZINC000776588719	582082810	/nfs/dbraw/zinc/08/28/10/582082810.db2.gz	QUGHWVWMHPYPOD-IUCAKERBSA-N	-1	0	293.341	0.134	20	30		CCEDRM
C#Cc1cccc(NC(=O)CN(C)C(=O)CCC(=O)[O-])c1	ZINC000776601474	582084281	/nfs/dbraw/zinc/08/42/81/582084281.db2.gz	DJLGLHJWSOQOQM-UHFFFAOYSA-N	-1	0	288.303	0.930	20	30		CCEDRM
CC(C)S(=O)(=O)NN=C1CCC[C@@H]1CNC(=O)[O-]	ZINC000738868476	582085158	/nfs/dbraw/zinc/08/51/58/582085158.db2.gz	AJALVBHSKXRSPD-MRVPVSSYSA-N	-1	0	277.346	0.738	20	30		CCEDRM
Cc1nn(C)c(C)c1[C@H](C)C(=O)N(CC#N)CC(=O)[O-]	ZINC000738905839	582087355	/nfs/dbraw/zinc/08/73/55/582087355.db2.gz	MULJFCAZCGMMPS-QMMMGPOBSA-N	-1	0	278.312	0.577	20	30		CCEDRM
N#CCN(CC(=O)[O-])C(=O)c1ccc2c(c1)OCCCO2	ZINC000739086162	582101799	/nfs/dbraw/zinc/10/17/99/582101799.db2.gz	GGZPLKAZOCZEAW-UHFFFAOYSA-N	-1	0	290.275	0.898	20	30		CCEDRM
C=C(Br)CNC(=O)NC1CN(C(=O)[O-])C1	ZINC000823475453	613237093	/nfs/dbraw/zinc/23/70/93/613237093.db2.gz	YFHBWDRUMFNOOU-UHFFFAOYSA-N	-1	0	278.106	0.556	20	30		CCEDRM
C#CCCCNC(=O)N1CCCN(C(=O)[O-])CC1	ZINC000823444499	612981160	/nfs/dbraw/zinc/98/11/60/612981160.db2.gz	KPSSRACKFJUFEC-UHFFFAOYSA-N	-1	0	253.302	0.795	20	30		CCEDRM
CCS(=O)(CC)=NS(=O)(=O)[N-]CC1(C#N)CC1	ZINC000867222302	615356398	/nfs/dbraw/zinc/35/63/98/615356398.db2.gz	SHRWSIBTZIBYMS-UHFFFAOYSA-N	-1	0	279.387	0.632	20	30		CCEDRM
COC(=O)[C@@H](C)[C@H](C)S(=O)(=O)[N-]C(=O)CCCC#N	ZINC000813085574	616952502	/nfs/dbraw/zinc/95/25/02/616952502.db2.gz	LICNWGPSGKAQKJ-IUCAKERBSA-N	-1	0	290.341	0.324	20	30		CCEDRM
N#C[C@@H]1CN(C(=O)NCCCCCC(=O)[O-])CCO1	ZINC000093937491	597302905	/nfs/dbraw/zinc/30/29/05/597302905.db2.gz	UCHAUCCETHNFEW-SNVBAGLBSA-N	-1	0	269.301	0.565	20	30		CCEDRM
C#CCOCCNC(=O)Cc1cccc(C(=O)[O-])c1	ZINC000833366282	612985625	/nfs/dbraw/zinc/98/56/25/612985625.db2.gz	PKZKHNYXLYOBMS-UHFFFAOYSA-N	-1	0	261.277	0.693	20	30		CCEDRM
Cc1cc(CNC(=O)[C@@](C)(C#N)CC(=O)[O-])ncn1	ZINC000820976611	597605256	/nfs/dbraw/zinc/60/52/56/597605256.db2.gz	LNEDSYMHZUHXNC-GFCCVEGCSA-N	-1	0	262.269	0.406	20	30		CCEDRM
C[C@](C#N)(CC(=O)[O-])C(=O)NC[C@H]1COC2(CCCC2)O1	ZINC000819834028	597607132	/nfs/dbraw/zinc/60/71/32/597607132.db2.gz	LPXYRHATGAKSIL-GXFFZTMASA-N	-1	0	296.323	0.793	20	30		CCEDRM
C[C@](C#N)(CC(=O)[O-])C(=O)NCCOCC(F)(F)F	ZINC000819842802	597631465	/nfs/dbraw/zinc/63/14/65/597631465.db2.gz	UFRZQZDIZRFCPY-SECBINFHSA-N	-1	0	282.218	0.686	20	30		CCEDRM
C[C@](C#N)(CC(=O)[O-])C(=O)N[C@@H]1CCCOCC1	ZINC000819821206	597608263	/nfs/dbraw/zinc/60/82/63/597608263.db2.gz	DIVWTIPHPNPNQP-BXKDBHETSA-N	-1	0	254.286	0.676	20	30		CCEDRM
C[C@H](OC(=O)[C@@](C)(C#N)CC(=O)[O-])C(=O)N(C)C	ZINC000820161257	597613520	/nfs/dbraw/zinc/61/35/20/597613520.db2.gz	NNLKNCIWURKOQG-WRWORJQWSA-N	-1	0	256.258	0.011	20	30		CCEDRM
C[C@](C#N)(CC(=O)[O-])C(=O)OCCNC(=O)C1CCCC1	ZINC000819866087	597622759	/nfs/dbraw/zinc/62/27/59/597622759.db2.gz	RLEPDDYBLDMBRK-CQSZACIVSA-N	-1	0	296.323	0.841	20	30		CCEDRM
C[C@](C#N)(CC(=O)[O-])C(=O)OCc1ccc(C(N)=O)cc1	ZINC000819874188	597625608	/nfs/dbraw/zinc/62/56/08/597625608.db2.gz	IQOWTRRHXDDPLY-CQSZACIVSA-N	-1	0	290.275	0.833	20	30		CCEDRM
C[C@@](C#N)(CC(=O)[O-])C(=O)OCc1ccc(C(N)=O)cc1	ZINC000819874187	597625653	/nfs/dbraw/zinc/62/56/53/597625653.db2.gz	IQOWTRRHXDDPLY-AWEZNQCLSA-N	-1	0	290.275	0.833	20	30		CCEDRM
C[C@](C#N)(CC(=O)[O-])C(=O)NCCc1cccnc1	ZINC000819841858	597631506	/nfs/dbraw/zinc/63/15/06/597631506.db2.gz	GBVAFKMKGZVFGB-CYBMUJFWSA-N	-1	0	261.281	0.745	20	30		CCEDRM
C[C@@](C#N)(CC(=O)[O-])C(=O)NC[C@@H](O)c1cccc(F)c1	ZINC000819833934	597638676	/nfs/dbraw/zinc/63/86/76/597638676.db2.gz	KOVNTVAAGCKZMU-RISCZKNCSA-N	-1	0	294.282	0.980	20	30		CCEDRM
C[C@@H](CNC(=O)[C@](C)(C#N)CC(=O)[O-])CN1CCOCC1	ZINC000820095965	597648839	/nfs/dbraw/zinc/64/88/39/597648839.db2.gz	XRVFQYGFTMRSHY-FZMZJTMJSA-N	-1	0	297.355	0.075	20	30		CCEDRM
C[C@](C#N)(CC(=O)[O-])C(=O)NCC(=O)OC1CCCCC1	ZINC000819834791	597652826	/nfs/dbraw/zinc/65/28/26/597652826.db2.gz	PCUHPYRSGBREII-CQSZACIVSA-N	-1	0	296.323	0.983	20	30		CCEDRM
C[C@H](O)[C@H]1CCCN(C(=O)[C@@](C)(C#N)CC(=O)[O-])C1	ZINC000820154111	597658867	/nfs/dbraw/zinc/65/88/67/597658867.db2.gz	GHLVJNUGIYUBDN-OUJBWJOFSA-N	-1	0	268.313	0.610	20	30		CCEDRM
COc1ccc(CNC(=O)[C@@](C)(C#N)CC(=O)[O-])cn1	ZINC000820837117	598223336	/nfs/dbraw/zinc/22/33/36/598223336.db2.gz	OPVPNGVUJMDPEN-CYBMUJFWSA-N	-1	0	277.280	0.711	20	30		CCEDRM
Cc1nc2n(n1)C[C@H](NC(=O)[C@](C)(C#N)CC(=O)[O-])CC2	ZINC000821181843	598226443	/nfs/dbraw/zinc/22/64/43/598226443.db2.gz	MAOSXWMBKVVDPV-RNCFNFMXSA-N	-1	0	291.311	0.022	20	30		CCEDRM
C[C@@](C#N)(CC(=O)[O-])C(=O)NCCOc1cccnc1	ZINC000819841765	598227635	/nfs/dbraw/zinc/22/76/35/598227635.db2.gz	CSXXSUYDDIITQO-ZDUSSCGKSA-N	-1	0	277.280	0.581	20	30		CCEDRM
Cc1nc2n(n1)CCC[C@@H]2NC(=O)[C@](C)(C#N)CC(=O)[O-]	ZINC000821181682	598229874	/nfs/dbraw/zinc/22/98/74/598229874.db2.gz	IFGKYZHYKVLJKW-ZANVPECISA-N	-1	0	291.311	0.542	20	30		CCEDRM
C#CCO[N-]C(=O)[C@H]1CC(=O)Nc2cc(F)ccc21	ZINC000812784282	612992998	/nfs/dbraw/zinc/99/29/98/612992998.db2.gz	GODCRYKGFPFUAZ-JTQLQIEISA-N	-1	0	262.240	0.933	20	30		CCEDRM
N#CCNC(=O)COc1cc(C(=O)[O-])ccc1[N+](=O)[O-]	ZINC000050517699	599886811	/nfs/dbraw/zinc/88/68/11/599886811.db2.gz	MCJTVJXFKFCGJG-UHFFFAOYSA-N	-1	0	279.208	0.312	20	30		CCEDRM
C#CC(C)(C)NC(=O)c1cc(S(N)(=O)=O)ccc1[O-]	ZINC000827633733	612946041	/nfs/dbraw/zinc/94/60/41/612946041.db2.gz	COKPXMDATPNSBV-UHFFFAOYSA-N	-1	0	282.321	0.181	20	30		CCEDRM
C[C@H](C#N)C(=O)Nc1ccc(C(=O)NCCC(=O)[O-])cc1	ZINC000825967359	600927017	/nfs/dbraw/zinc/92/70/17/600927017.db2.gz	UILILTGSTFVZRP-SECBINFHSA-N	-1	0	289.291	0.989	20	30		CCEDRM
N#CCCCS(=O)(=O)N(CC(=O)[O-])C1CCOCC1	ZINC000833065467	600989789	/nfs/dbraw/zinc/98/97/89/600989789.db2.gz	FOCNITXLKSBPHN-UHFFFAOYSA-N	-1	0	290.341	0.186	20	30		CCEDRM
N#CCN(CC(=O)[O-])Cc1nc(-c2ccccn2)no1	ZINC000833067084	601004524	/nfs/dbraw/zinc/00/45/24/601004524.db2.gz	OOAWCVZVCLCDPM-UHFFFAOYSA-N	-1	0	273.252	0.542	20	30		CCEDRM
Cc1cccc(NC(=O)CN(CC#N)CC(=O)[O-])c1	ZINC000832971732	601226110	/nfs/dbraw/zinc/22/61/10/601226110.db2.gz	WVCVGTRXMWGIRD-UHFFFAOYSA-N	-1	0	261.281	0.844	20	30		CCEDRM
Cc1ccc(NC(=O)CN(CC#N)CC(=O)[O-])c(F)c1	ZINC000832944104	601226525	/nfs/dbraw/zinc/22/65/25/601226525.db2.gz	WKTIIHFYUIOMRH-UHFFFAOYSA-N	-1	0	279.271	0.983	20	30		CCEDRM
N#CCN(CC(=O)[O-])CC(=O)Nc1sccc1C#N	ZINC000833067655	601226820	/nfs/dbraw/zinc/22/68/20/601226820.db2.gz	WZQYEJRJPYZACN-UHFFFAOYSA-N	-1	0	278.293	0.468	20	30		CCEDRM
N#CCN(CC(=O)[O-])CC(=O)OCc1ccccc1	ZINC000833066703	601226822	/nfs/dbraw/zinc/22/68/22/601226822.db2.gz	HCYQMCPPMVMGBW-UHFFFAOYSA-N	-1	0	262.265	0.640	20	30		CCEDRM
N#Cc1c[nH]c(C(=O)N[C@@H](C(=O)[O-])c2ccccn2)c1	ZINC000833068027	601451994	/nfs/dbraw/zinc/45/19/94/601451994.db2.gz	LHSSYVUKJVHKKK-LLVKDONJSA-N	-1	0	270.248	0.837	20	30		CCEDRM
N#Cc1ccc(C(=O)N2CCO[C@H](CC(=O)[O-])C2)cn1	ZINC000833071290	601667027	/nfs/dbraw/zinc/66/70/27/601667027.db2.gz	ZNZAWYORKVFOQC-LLVKDONJSA-N	-1	0	275.264	0.269	20	30		CCEDRM
COC[C@@](C)(NC(=O)c1cccc(C#N)c1)C(=O)[O-]	ZINC000237222701	601691386	/nfs/dbraw/zinc/69/13/86/601691386.db2.gz	OCDCQJMAJRZLKG-CYBMUJFWSA-N	-1	0	262.265	0.778	20	30		CCEDRM
C#CCSCCNC(=O)CCCc1nnn[n-]1	ZINC000820192638	613015469	/nfs/dbraw/zinc/01/54/69/613015469.db2.gz	AYBZNSGRVSISSL-UHFFFAOYSA-N	-1	0	253.331	0.005	20	30		CCEDRM
C=CCSCCNC(=O)N1CCO[C@H](CC(=O)[O-])C1	ZINC000231956763	601771236	/nfs/dbraw/zinc/77/12/36/601771236.db2.gz	HSAOQQWKFWCWIY-SNVBAGLBSA-N	-1	0	288.369	0.791	20	30		CCEDRM
O=C([O-])c1cc(C=NNC(=S)NC2CC2)c[nH]1	ZINC000814734038	601796103	/nfs/dbraw/zinc/79/61/03/601796103.db2.gz	VBFLZAUKYPNSSI-UHFFFAOYSA-N	-1	0	252.299	0.673	20	30		CCEDRM
N#Cc1ccc([C@@H](O)CN2CCO[C@H](CC(=O)[O-])C2)cc1	ZINC000833071765	602018912	/nfs/dbraw/zinc/01/89/12/602018912.db2.gz	IJEQFVCGPMVUSA-KGLIPLIRSA-N	-1	0	290.319	0.767	20	30		CCEDRM
C[C@@H](OC(=O)[C@@H](C)CC(=O)[O-])C(=O)N(C)CCC#N	ZINC000827325086	602270855	/nfs/dbraw/zinc/27/08/55/602270855.db2.gz	OWKIYDHSIZOUCP-DTWKUNHWSA-N	-1	0	270.285	0.401	20	30		CCEDRM
C[C@@H](CC(=O)[O-])C(=O)O[C@@H](C)C(=O)N(C)CCC#N	ZINC000827325087	602270857	/nfs/dbraw/zinc/27/08/57/602270857.db2.gz	OWKIYDHSIZOUCP-IUCAKERBSA-N	-1	0	270.285	0.401	20	30		CCEDRM
COc1cc(C=NN(C)C[C@@H](C)O)c([N+](=O)[O-])cc1O	ZINC000841654510	617179095	/nfs/dbraw/zinc/17/90/95/617179095.db2.gz	LWNPVAZJBCQKPA-MRVPVSSYSA-N	-1	0	283.284	0.956	20	30		CCEDRM
Cn1c(=O)[nH]cc(C(=O)C=Cc2ccoc2C(=O)[O-])c1=O	ZINC000833037718	602300156	/nfs/dbraw/zinc/30/01/56/602300156.db2.gz	PJCSWFLKEVYRGP-NSCUHMNNSA-N	-1	0	290.231	0.673	20	30		CCEDRM
C#CCSCCNC(=O)N[C@@](C)(CCF)C(=O)[O-]	ZINC000909051557	613017472	/nfs/dbraw/zinc/01/74/72/613017472.db2.gz	BVXWFCFGLIRTGJ-NSHDSACASA-N	-1	0	276.333	0.855	20	30		CCEDRM
COc1cc(C=NNCC(=O)[O-])cc(OC)c1OC(C)=O	ZINC000814960579	617179390	/nfs/dbraw/zinc/17/93/90/617179390.db2.gz	UAYSZQVSXLDVHQ-UHFFFAOYSA-N	-1	0	296.279	0.637	20	30		CCEDRM
C[C@@H](CC#N)OC(=O)CN(C[C@@H]1CCCO1)C(=O)[O-]	ZINC000824544530	603448089	/nfs/dbraw/zinc/44/80/89/603448089.db2.gz	RPOMXFUWXHHAAI-UWVGGRQHSA-N	-1	0	270.285	0.991	20	30		CCEDRM
Cc1cc(C(=O)N2CCN(C(=O)[O-])C[C@H]2C#N)[nH]n1	ZINC000829930092	603590653	/nfs/dbraw/zinc/59/06/53/603590653.db2.gz	HKLFFISLYHOJSN-MRVPVSSYSA-N	-1	0	263.257	0.046	20	30		CCEDRM
N#CCN1CCN(C(=O)[C@H]2CC[C@@H](NC(=O)[O-])C2)CC1	ZINC000831102708	603626475	/nfs/dbraw/zinc/62/64/75/603626475.db2.gz	RJCGDGLJAFOMAL-WDEREUQCSA-N	-1	0	280.328	0.090	20	30		CCEDRM
N#CCN1CCN(C(=O)C[C@H]2CCCN2C(=O)[O-])CC1	ZINC000831102666	603627127	/nfs/dbraw/zinc/62/71/27/603627127.db2.gz	QFAOMXAGVFAYLO-LLVKDONJSA-N	-1	0	280.328	0.187	20	30		CCEDRM
N#Cc1ccc(C(=O)O[C@H]2CN(C(=O)[O-])CCC2=O)nc1	ZINC000831122752	603821534	/nfs/dbraw/zinc/82/15/34/603821534.db2.gz	QIULAVATDHFQQU-NSHDSACASA-N	-1	0	289.247	0.431	20	30		CCEDRM
N#C[C@H]1CCC[C@H]1NC(=O)COCCNC(=O)[O-]	ZINC000831077141	603959776	/nfs/dbraw/zinc/95/97/76/603959776.db2.gz	WWEIZXUUPPIGPC-RKDXNWHRSA-N	-1	0	255.274	0.079	20	30		CCEDRM
N#CCNC(=O)C[C@@H](Cc1ccccc1)NC(=O)[O-]	ZINC000831102387	603964770	/nfs/dbraw/zinc/96/47/70/603964770.db2.gz	IVNKWEJXJYPYOJ-LLVKDONJSA-N	-1	0	261.281	0.895	20	30		CCEDRM
N#C[C@H]1CN(C(=O)[O-])CCN1C(=O)C[C@@H]1CCOC1	ZINC000831083326	604078544	/nfs/dbraw/zinc/07/85/44/604078544.db2.gz	ZHKOEBZXJIHYIR-UWVGGRQHSA-N	-1	0	267.285	0.127	20	30		CCEDRM
C[C@H](CN(C)C(=O)[O-])C(=O)OCC(=O)N(C)C(C)(C)C#N	ZINC000824888120	604249336	/nfs/dbraw/zinc/24/93/36/604249336.db2.gz	HDOHVYDLFPRHGM-SECBINFHSA-N	-1	0	299.327	0.536	20	30		CCEDRM
N#C[C@@H]1CCC[C@@H]1NC(=O)C[C@@H]1CN(C(=O)[O-])CCO1	ZINC000831075654	604273300	/nfs/dbraw/zinc/27/33/00/604273300.db2.gz	BKIKYGYXHDWRNE-AXFHLTTASA-N	-1	0	281.312	0.564	20	30		CCEDRM
C[C@@H](NC(=O)[O-])[C@@H]1CN(c2ncccc2C#N)CCO1	ZINC000825372212	604453188	/nfs/dbraw/zinc/45/31/88/604453188.db2.gz	LXOZMSDNNJIJEV-KOLCDFICSA-N	-1	0	276.296	0.815	20	30		CCEDRM
O=C([O-])N[C@@H]1CCN(C(=O)C#Cc2ccccc2)C1	ZINC000832364628	604471486	/nfs/dbraw/zinc/47/14/86/604471486.db2.gz	COJCSVAIIKKMHQ-GFCCVEGCSA-N	-1	0	258.277	0.907	20	30		CCEDRM
C[C@H](OC(=O)C1(NC(=O)[O-])CC1)C(=O)N(C)CCC#N	ZINC000825543681	604760209	/nfs/dbraw/zinc/76/02/09/604760209.db2.gz	GJIUKHSIUFMFTD-QMMMGPOBSA-N	-1	0	283.284	0.090	20	30		CCEDRM
N#C[C@]1(NC(=O)C[C@@H]2CN(C(=O)[O-])CCO2)CCSC1	ZINC000831070761	604799282	/nfs/dbraw/zinc/79/92/82/604799282.db2.gz	RLXLZTLXPDHBSW-BXKDBHETSA-N	-1	0	299.352	0.271	20	30		CCEDRM
C[C@H](NC(=O)[O-])C(=O)NCc1cc(C#N)ccc1F	ZINC000825186736	604952543	/nfs/dbraw/zinc/95/25/43/604952543.db2.gz	UCWASKRWAWJARR-ZETCQYMHSA-N	-1	0	265.244	0.970	20	30		CCEDRM
C#CCNS(=O)(=O)c1ccc(C(=O)[O-])c(Cl)c1	ZINC000218554031	605000585	/nfs/dbraw/zinc/00/05/85/605000585.db2.gz	ZMIVBVYIALLOOA-UHFFFAOYSA-N	-1	0	273.697	0.950	20	30		CCEDRM
COc1cc(CNC(=O)[C@](C)(C#N)CC(=O)[O-])ccn1	ZINC000820763839	617188573	/nfs/dbraw/zinc/18/85/73/617188573.db2.gz	GRUSHCGJKXQQSQ-ZDUSSCGKSA-N	-1	0	277.280	0.711	20	30		CCEDRM
C[C@H](CN(C)c1ncnc2c1cnn2CCC#N)C(=O)[O-]	ZINC000833516836	605061142	/nfs/dbraw/zinc/06/11/42/605061142.db2.gz	YYMOICBFUCWGBH-SECBINFHSA-N	-1	0	288.311	0.897	20	30		CCEDRM
N#C[C@H](OC(=O)[C@H]1CN(C(=O)[O-])CCO1)C1CC1	ZINC000831070995	605085456	/nfs/dbraw/zinc/08/54/56/605085456.db2.gz	WPBFOPWRXSSSNB-DTWKUNHWSA-N	-1	0	254.242	0.211	20	30		CCEDRM
N#C[C@@H](OC(=O)[C@@H]1CN(C(=O)[O-])CCO1)C1CC1	ZINC000831070994	605085423	/nfs/dbraw/zinc/08/54/23/605085423.db2.gz	WPBFOPWRXSSSNB-BDAKNGLRSA-N	-1	0	254.242	0.211	20	30		CCEDRM
CC(C)(C#N)CCN1CCNC(=O)[C@@H]1CC(=O)[O-]	ZINC000087592874	605189059	/nfs/dbraw/zinc/18/90/59/605189059.db2.gz	LOMWCVWDRDXKMY-VIFPVBQESA-N	-1	0	253.302	0.201	20	30		CCEDRM
C[C@@H](CC#N)N(C)S(=O)(=O)c1cc(C(=O)[O-])co1	ZINC000710600480	605201921	/nfs/dbraw/zinc/20/19/21/605201921.db2.gz	LDQWOJMZDMFCNU-ZETCQYMHSA-N	-1	0	272.282	0.900	20	30		CCEDRM
C=CCNC(=O)CNC(=O)NCc1cccc(C(=O)[O-])c1	ZINC000393839055	605215137	/nfs/dbraw/zinc/21/51/37/605215137.db2.gz	URTHTNAVUMUMEP-UHFFFAOYSA-N	-1	0	291.307	0.486	20	30		CCEDRM
C=CCNC(=O)CNC(=O)Nc1ccc(C(=O)[O-])cc1	ZINC000393793237	605237737	/nfs/dbraw/zinc/23/77/37/605237737.db2.gz	FNEGLUICDXFNOQ-UHFFFAOYSA-N	-1	0	277.280	0.809	20	30		CCEDRM
N#C[C@@H]1CCC[C@H]1NC(=O)CO[C@H]1CCCN(C(=O)[O-])C1	ZINC000831077304	605385659	/nfs/dbraw/zinc/38/56/59/605385659.db2.gz	YVSALRRKKNWYSB-SDDRHHMPSA-N	-1	0	295.339	0.954	20	30		CCEDRM
N#Cc1cccc([C@H]2CN(C(=O)CNC(=O)[O-])CCO2)c1	ZINC000833978819	605715418	/nfs/dbraw/zinc/71/54/18/605715418.db2.gz	YIDFFEQYLSTZAD-GFCCVEGCSA-N	-1	0	289.291	0.726	20	30		CCEDRM
O=C([O-])N1CC(C/N=C/c2ccc(O)c(O)c2O)C1	ZINC000834066550	605721214	/nfs/dbraw/zinc/72/12/14/605721214.db2.gz	HZHIZPRWSBMUPH-YIXHJXPBSA-N	-1	0	266.253	0.832	20	30		CCEDRM
C[C@@H](NC(=O)[O-])[C@H]1CN(Cc2ccnc(C#N)c2)CCO1	ZINC000833820540	605783077	/nfs/dbraw/zinc/78/30/77/605783077.db2.gz	RYQVKOGUBRTPHA-ZWNOBZJWSA-N	-1	0	290.323	0.810	20	30		CCEDRM
C[C@H](CNC(=O)[O-])CNC(=O)c1ccc(C#N)cn1	ZINC000833807512	605809390	/nfs/dbraw/zinc/80/93/90/605809390.db2.gz	UZLVIUZZXAVXBL-QMMMGPOBSA-N	-1	0	262.269	0.587	20	30		CCEDRM
N#C[C@@H]1CSCCN1C(=O)[C@@H]1CC[C@H](NC(=O)[O-])C1	ZINC000833966309	605972744	/nfs/dbraw/zinc/97/27/44/605972744.db2.gz	KALJCLARFPNOST-KXUCPTDWSA-N	-1	0	283.353	0.890	20	30		CCEDRM
N#CCN(C(=O)[C@@H](CC(F)F)NC(=O)[O-])C1CC1	ZINC000833965994	606020323	/nfs/dbraw/zinc/02/03/23/606020323.db2.gz	XYVSOZRPFGBCJY-SSDOTTSWSA-N	-1	0	261.228	0.792	20	30		CCEDRM
N#C[C@@H]1CN(C(=O)CCC2CCN(C(=O)[O-])CC2)CCO1	ZINC000833967474	606039965	/nfs/dbraw/zinc/03/99/65/606039965.db2.gz	RFQVUSOWJIPMRK-GFCCVEGCSA-N	-1	0	295.339	0.908	20	30		CCEDRM
C#CCCS(=O)(=O)[N-]C(=O)COc1ccc(OC)cc1	ZINC000810786726	613052843	/nfs/dbraw/zinc/05/28/43/613052843.db2.gz	UUEGDVZALQPUND-UHFFFAOYSA-N	-1	0	297.332	0.543	20	30		CCEDRM
C#CCCS(=O)(=O)[N-]C(=O)Cc1cccc(F)c1	ZINC000810779926	613052890	/nfs/dbraw/zinc/05/28/90/613052890.db2.gz	HLNJCOXIBROZTA-UHFFFAOYSA-N	-1	0	269.297	0.838	20	30		CCEDRM
C#CCCS(=O)(=O)[N-]C(=O)C[C@@H]1CCC(=O)[C@@H]1C	ZINC000810784850	613052952	/nfs/dbraw/zinc/05/29/52/613052952.db2.gz	PWEGIIGJHDQUDA-ZJUUUORDSA-N	-1	0	271.338	0.461	20	30		CCEDRM
C#CCCS(=O)(=O)[N-]C(=O)CC[C@H]1CCOC1	ZINC000788071402	613052698	/nfs/dbraw/zinc/05/26/98/613052698.db2.gz	PIOKTFZBYAHWTR-JTQLQIEISA-N	-1	0	259.327	0.272	20	30		CCEDRM
Cc1csc(Cn2c(N)nc(-c3nnn[n-]3)c2C#N)n1	ZINC000822414377	606867441	/nfs/dbraw/zinc/86/74/41/606867441.db2.gz	DEKYSBUNPMJTPP-UHFFFAOYSA-N	-1	0	287.312	0.330	20	30		CCEDRM
C#CCN(C(=O)[C@@H]1CN(C(=O)[O-])CCO1)C1CCCC1	ZINC000823450645	613068627	/nfs/dbraw/zinc/06/86/27/613068627.db2.gz	FGULQNJFSDOSPT-LBPRGKRZSA-N	-1	0	280.324	0.770	20	30		CCEDRM
C#CC[C@H](NC(=O)c1ncccc1N(C)C)C(=O)[O-]	ZINC000910049965	613070802	/nfs/dbraw/zinc/07/08/02/613070802.db2.gz	BBEFPBKFAOELPZ-VIFPVBQESA-N	-1	0	261.281	0.354	20	30		CCEDRM
C#CCN(CC(=O)[O-])S(=O)(=O)c1c(C)cccc1F	ZINC000849219443	613103581	/nfs/dbraw/zinc/10/35/81/613103581.db2.gz	VUALOSZWCDTFAW-UHFFFAOYSA-N	-1	0	285.296	0.843	20	30		CCEDRM
C=C(Cl)C[N-]S(=O)(=O)c1cc(C(=O)OC)no1	ZINC000858996438	613384049	/nfs/dbraw/zinc/38/40/49/613384049.db2.gz	YFBYVRXVANRVGW-UHFFFAOYSA-N	-1	0	280.689	0.492	20	30		CCEDRM
COc1cc2c(cc1C=Nn1c(=O)[n-][nH]c1=O)O[C@H](C)C2	ZINC000814233753	617218111	/nfs/dbraw/zinc/21/81/11/617218111.db2.gz	GLZPSKPJLSKQGZ-SSDOTTSWSA-N	-1	0	290.279	0.904	20	30		CCEDRM
CC(C)(CNC(=O)[C@@]1(C#N)CCCOC1)CC(=O)[O-]	ZINC000923102990	614106224	/nfs/dbraw/zinc/10/62/24/614106224.db2.gz	AVKZXMYQXVUTCW-CYBMUJFWSA-N	-1	0	268.313	0.924	20	30		CCEDRM
C#CCCCNC(=O)C(=O)N1CC[C@H](C(=O)[O-])[C@H](C)C1	ZINC000861716371	612979663	/nfs/dbraw/zinc/97/96/63/612979663.db2.gz	QRWREVJKFCFGSZ-MNOVXSKESA-N	-1	0	280.324	0.085	20	30		CCEDRM
CSCCC(=O)N1CCN(C(=O)[O-])C[C@H]1C#N	ZINC000829723686	617231931	/nfs/dbraw/zinc/23/19/31/617231931.db2.gz	UJHLSFCXXKTKCB-MRVPVSSYSA-N	-1	0	257.315	0.454	20	30		CCEDRM
CSC[C@H](C)C(=O)N1CCN(C(=O)[O-])C[C@@H]1C#N	ZINC000829716640	617253360	/nfs/dbraw/zinc/25/33/60/617253360.db2.gz	LSCAICGFOOWEQX-IUCAKERBSA-N	-1	0	271.342	0.700	20	30		CCEDRM
CS[C@@H]1CCCC(N=NC2=NC(=O)C(=O)N2)C1	ZINC000901204378	617266744	/nfs/dbraw/zinc/26/67/44/617266744.db2.gz	CUAVGWPZSBDNRZ-SSDOTTSWSA-N	-1	0	254.315	0.250	20	30		CCEDRM
C[C@@H](C#N)C(=O)N1CCC(OCCCNC(=O)[O-])CC1	ZINC000823646523	617288486	/nfs/dbraw/zinc/28/84/86/617288486.db2.gz	DADNZXNZYLVZAK-JTQLQIEISA-N	-1	0	283.328	0.811	20	30		CCEDRM
CSc1[n-]c(=O)c(C(=O)N[C@]23C[C@H]2COC3)cc1C#N	ZINC000899249663	617283554	/nfs/dbraw/zinc/28/35/54/617283554.db2.gz	YSDXSNHISDEYPG-SDBXPKJASA-N	-1	0	291.332	0.899	20	30		CCEDRM
C#CCNC(=O)c1ccc(N[C@H]2C[C@@H](C(=O)[O-])C2)nc1	ZINC000873067160	612952611	/nfs/dbraw/zinc/95/26/11/612952611.db2.gz	XCBKVXNIHWRYNL-PHIMTYICSA-N	-1	0	273.292	0.720	20	30		CCEDRM
C#CC1CCN(C(=O)[C@H]2C[C@@H](C)[C@H](C(=O)[O-])O2)CC1	ZINC000911406246	612964233	/nfs/dbraw/zinc/96/42/33/612964233.db2.gz	PGUHDMMBFPQKCC-YUSALJHKSA-N	-1	0	265.309	0.736	20	30		CCEDRM
C#CCCc1cc(=O)n([C@H]2CCCS(=O)(=O)C2)[n-]1	ZINC000899357780	612974418	/nfs/dbraw/zinc/97/44/18/612974418.db2.gz	MUYOHUYBTVAGLT-NSHDSACASA-N	-1	0	268.338	0.565	20	30		CCEDRM
C#CCCCCC(=O)N[C@@H](C)C(=O)N[C@H](C)C(=O)[O-]	ZINC000910748648	612975857	/nfs/dbraw/zinc/97/58/57/612975857.db2.gz	TZCSGJBNDWEBNQ-VHSXEESVSA-N	-1	0	268.313	0.274	20	30		CCEDRM
C#CCCCNC(=O)C(=O)Nc1ccc(CC(=O)[O-])cc1	ZINC000825605353	612980974	/nfs/dbraw/zinc/98/09/74/612980974.db2.gz	AEVPBRCZBQPHAU-UHFFFAOYSA-N	-1	0	288.303	0.782	20	30		CCEDRM
C#CCCCNC(=O)C(=O)Nc1ccc(NC(=O)[O-])nc1	ZINC000823444069	612981106	/nfs/dbraw/zinc/98/11/06/612981106.db2.gz	CTCCBWKMQYQWCA-UHFFFAOYSA-N	-1	0	290.279	0.640	20	30		CCEDRM
C#CCCCNC(=O)NC1CCN(C(=O)[O-])CC1	ZINC000823445255	612981857	/nfs/dbraw/zinc/98/18/57/612981857.db2.gz	WXFWXBWQRPZDFA-UHFFFAOYSA-N	-1	0	253.302	0.841	20	30		CCEDRM
C#CCOCCNC(=O)C1=C(C(=O)[O-])CCCC1	ZINC000872856524	612985257	/nfs/dbraw/zinc/98/52/57/612985257.db2.gz	FTSSAEOAALAJDC-UHFFFAOYSA-N	-1	0	251.282	0.708	20	30		CCEDRM
C#CCCCS(=O)(=O)[N-]c1nccc(COC)n1	ZINC000903674753	612985480	/nfs/dbraw/zinc/98/54/80/612985480.db2.gz	MUCCKWVFVCDZGA-UHFFFAOYSA-N	-1	0	269.326	0.778	20	30		CCEDRM
C#CCO[N-]C(=O)CN(CC)C(=O)OC(C)(C)C	ZINC000812786072	612992076	/nfs/dbraw/zinc/99/20/76/612992076.db2.gz	AWEBNKRXKBVDHI-UHFFFAOYSA-N	-1	0	256.302	0.924	20	30		CCEDRM
C#CCO[N-]C(=O)[C@@H](CC)N1CCO[C@H](CC)C1	ZINC000855606834	612992304	/nfs/dbraw/zinc/99/23/04/612992304.db2.gz	PNCZPHOCAWKZGR-VXGBXAGGSA-N	-1	0	254.330	0.557	20	30		CCEDRM
C#CCO[N-]C(=O)[C@H]1CCN(c2ccc(F)c(F)c2)C1=O	ZINC000812783335	612992974	/nfs/dbraw/zinc/99/29/74/612992974.db2.gz	KDFRXULFWDRTJW-SNVBAGLBSA-N	-1	0	294.257	0.999	20	30		CCEDRM
C#CCO[N-]C(=O)c1cnc2ccc(C)cn2c1=O	ZINC000812782364	612993713	/nfs/dbraw/zinc/99/37/13/612993713.db2.gz	ROHUYUHDACIHHI-UHFFFAOYSA-N	-1	0	257.249	0.298	20	30		CCEDRM
C#CCO[C@@H](C)C(=O)N[C@@H](CCSC)c1nnn[n-]1	ZINC000912863329	612996921	/nfs/dbraw/zinc/99/69/21/612996921.db2.gz	UDJZUCCLCKDNKY-IUCAKERBSA-N	-1	0	283.357	0.148	20	30		CCEDRM
C#CCO[C@H](C)C(=O)[N-]S(=O)(=O)[C@@H]1C[C@@H]2CC[C@H]1C2	ZINC000835738677	613002063	/nfs/dbraw/zinc/00/20/63/613002063.db2.gz	FZODIOFSPUXZCD-WISYIIOYSA-N	-1	0	285.365	0.659	20	30		CCEDRM
C#CCO[C@H](C)C(=O)N[C@H](C(=O)[O-])c1cccnc1	ZINC000910992043	613003024	/nfs/dbraw/zinc/00/30/24/613003024.db2.gz	MUYGQGYLGUUJIU-KOLCDFICSA-N	-1	0	262.265	0.362	20	30		CCEDRM
C#CCCN1CCN(C(=O)[C@@]2(C)CCN(C(=O)[O-])C2)CC1	ZINC000823445211	613010051	/nfs/dbraw/zinc/01/00/51/613010051.db2.gz	VYMWFTKEGSLWDW-HNNXBMFYSA-N	-1	0	293.367	0.544	20	30		CCEDRM
C#CCCN1CCN(S(=O)(=O)c2ccccc2[O-])CC1	ZINC000849372065	613012052	/nfs/dbraw/zinc/01/20/52/613012052.db2.gz	DZPYBYWCLQNHQW-UHFFFAOYSA-N	-1	0	294.376	0.722	20	30		CCEDRM
C#CC[C@@H](NC(=O)C1(C(=O)NC2CC2)CCC1)C(=O)[O-]	ZINC000910055091	613039571	/nfs/dbraw/zinc/03/95/71/613039571.db2.gz	XJGWKFYBUCHJMW-SNVBAGLBSA-N	-1	0	278.308	0.028	20	30		CCEDRM
C#CC[C@@H](NC(=O)C[C@@H](C)NC(=O)C1CCCC1)C(=O)[O-]	ZINC000910054396	613040045	/nfs/dbraw/zinc/04/00/45/613040045.db2.gz	NBQMKLQKQRRPSQ-ZYHUDNBSSA-N	-1	0	294.351	0.664	20	30		CCEDRM
C#CC[C@@H](NC(=O)COc1ccc(OC)c(C)c1)C(=O)[O-]	ZINC000910054155	613040062	/nfs/dbraw/zinc/04/00/62/613040062.db2.gz	MOSFTLVXPAQUNE-GFCCVEGCSA-N	-1	0	291.303	0.975	20	30		CCEDRM
C#CC[C@@H](NC(=O)Cc1ccc(O)c(OC)c1)C(=O)[O-]	ZINC000910050969	613040342	/nfs/dbraw/zinc/04/03/42/613040342.db2.gz	BWGPTXCIIHNNPD-SNVBAGLBSA-N	-1	0	277.276	0.536	20	30		CCEDRM
C#CC[C@@H](NC(=O)[C@H](C)OCCOCC)C(=O)[O-]	ZINC000910053403	613041035	/nfs/dbraw/zinc/04/10/35/613041035.db2.gz	SXZZYXXULCUQDV-VHSXEESVSA-N	-1	0	257.286	0.021	20	30		CCEDRM
C#CC[C@@H](NC(=O)[C@]12C[C@H]1COC21CCC1)C(=O)[O-]	ZINC000907719454	613041480	/nfs/dbraw/zinc/04/14/80/613041480.db2.gz	OMGWKSCAICQNAZ-RBZYPMLTSA-N	-1	0	263.293	0.538	20	30		CCEDRM
C#CC[C@@H](NC(=O)c1ccc2c(c1)CCN2C)C(=O)[O-]	ZINC000910052117	613041966	/nfs/dbraw/zinc/04/19/66/613041966.db2.gz	OMWJMHCTAXRKIG-GFCCVEGCSA-N	-1	0	272.304	0.885	20	30		CCEDRM
C#CC[C@@H](NC(=O)c1ccnc(OCC(F)F)c1)C(=O)[O-]	ZINC000910048508	613042000	/nfs/dbraw/zinc/04/20/00/613042000.db2.gz	LCFZQUFZKXVHLU-SECBINFHSA-N	-1	0	298.245	0.932	20	30		CCEDRM
C#CC[C@@H](NC(=O)c1ccnc(OC(F)F)c1)C(=O)[O-]	ZINC000910050857	613042002	/nfs/dbraw/zinc/04/20/02/613042002.db2.gz	OWERQBDYUIKWRL-MRVPVSSYSA-N	-1	0	284.218	0.889	20	30		CCEDRM
C#CC[C@@H](NC(=O)c1cccnc1OCC)C(=O)[O-]	ZINC000910051948	613042034	/nfs/dbraw/zinc/04/20/34/613042034.db2.gz	JIEMTLKSBITXDM-SNVBAGLBSA-N	-1	0	262.265	0.687	20	30		CCEDRM
C#CC[C@@H](NC(=O)c1ccnn1CC(F)F)C(=O)[O-]	ZINC000910048740	613042050	/nfs/dbraw/zinc/04/20/50/613042050.db2.gz	NOTMZJJNZNSGFH-SSDOTTSWSA-N	-1	0	271.223	0.355	20	30		CCEDRM
C#CC[C@@H]1CCCN(C(=O)Cn2ccc(C(=O)[O-])n2)C1	ZINC000909943205	613044188	/nfs/dbraw/zinc/04/41/88/613044188.db2.gz	MEHQWXYUMFHHDN-LLVKDONJSA-N	-1	0	275.308	0.843	20	30		CCEDRM
C#CCCNC(=O)N[C@H]1CCC[C@@H]1CNC(=O)[O-]	ZINC000823444577	613047630	/nfs/dbraw/zinc/04/76/30/613047630.db2.gz	MYKVZNILEYZODJ-ZJUUUORDSA-N	-1	0	253.302	0.745	20	30		CCEDRM
C#CCCNS(=O)(=O)c1cccc(F)c1-c1nn[nH]n1	ZINC000823845444	613048086	/nfs/dbraw/zinc/04/80/86/613048086.db2.gz	SKIXNWLBHJNFQL-UHFFFAOYSA-N	-1	0	295.299	0.307	20	30		CCEDRM
C#CCCNS(=O)(=O)c1ccc(C(=O)[O-])nc1	ZINC000833365742	613048138	/nfs/dbraw/zinc/04/81/38/613048138.db2.gz	YKMCYQICHHHLKY-UHFFFAOYSA-N	-1	0	254.267	0.081	20	30		CCEDRM
C#CC[C@H](CCOC)NC(=O)CCCc1nnn[n-]1	ZINC000825080825	613049432	/nfs/dbraw/zinc/04/94/32/613049432.db2.gz	XQGYUECKUHAKSD-SNVBAGLBSA-N	-1	0	265.317	0.067	20	30		CCEDRM
C#CCCS(=O)(=O)[N-]C(=O)Cn1ncc2ccccc21	ZINC000810781918	613052958	/nfs/dbraw/zinc/05/29/58/613052958.db2.gz	XAZALZURYXEOCG-UHFFFAOYSA-N	-1	0	291.332	0.506	20	30		CCEDRM
C#CCCS(=O)(=O)[N-]C(=O)Cc1cccs1	ZINC000791111147	613053031	/nfs/dbraw/zinc/05/30/31/613053031.db2.gz	ONZWXYDTNZRGAO-UHFFFAOYSA-N	-1	0	257.336	0.760	20	30		CCEDRM
C#CCCS(=O)(=O)[N-]C(=O)[C@@H](OCC)C(C)C	ZINC000860721485	613053134	/nfs/dbraw/zinc/05/31/34/613053134.db2.gz	FWOJBOMENDRQAM-JTQLQIEISA-N	-1	0	261.343	0.517	20	30		CCEDRM
C#CCCS(=O)(=O)[N-]C(=O)c1cc([N+](=O)[O-])cn1C	ZINC000810779955	613053528	/nfs/dbraw/zinc/05/35/28/613053528.db2.gz	IFYUUUNLZKFGBS-UHFFFAOYSA-N	-1	0	285.281	0.016	20	30		CCEDRM
C#CCCS(=O)(=O)[N-]C(=O)c1ccn(C)c1CC	ZINC000810782715	613053735	/nfs/dbraw/zinc/05/37/35/613053735.db2.gz	SZCYBKWPIWVGTI-UHFFFAOYSA-N	-1	0	268.338	0.670	20	30		CCEDRM
C#CCCS(=O)(=O)[N-]C(=O)c1conc1C1CC1	ZINC000810783502	613053833	/nfs/dbraw/zinc/05/38/33/613053833.db2.gz	SFXRJHJSNCYDTF-UHFFFAOYSA-N	-1	0	268.294	0.635	20	30		CCEDRM
C#CCCS(=O)(=O)[N-]C(=O)c1oc(C2CC2)nc1C	ZINC000810782875	613053953	/nfs/dbraw/zinc/05/39/53/613053953.db2.gz	VLTSSBXJWMMDFL-UHFFFAOYSA-N	-1	0	282.321	0.943	20	30		CCEDRM
C#CCC[C@@H](O)CNC(=O)C(C)(C)[N-]C(=O)C(F)(F)F	ZINC000799084255	613055666	/nfs/dbraw/zinc/05/56/66/613055666.db2.gz	XVVBLELIAJXSAZ-MRVPVSSYSA-N	-1	0	294.273	0.334	20	30		CCEDRM
C#CC[C@H](COC)NC(=O)C(C)(C)[N-]C(=O)C(F)(F)F	ZINC000876079765	613060711	/nfs/dbraw/zinc/06/07/11/613060711.db2.gz	LREDQYJOYREEGK-MRVPVSSYSA-N	-1	0	294.273	0.598	20	30		CCEDRM
C#CCC[C@H](O)CNC(=O)c1cc([O-])ccc1[N+](=O)[O-]	ZINC000803354677	613063293	/nfs/dbraw/zinc/06/32/93/613063293.db2.gz	AMFGSQUFMFDGDG-JTQLQIEISA-N	-1	0	278.264	0.805	20	30		CCEDRM
C#CCN(C(=O)NCCNC(=O)[O-])C1CCCC1	ZINC000823451157	613066895	/nfs/dbraw/zinc/06/68/95/613066895.db2.gz	OIIUGRYWIAHBOS-UHFFFAOYSA-N	-1	0	253.302	0.841	20	30		CCEDRM
C#CC[C@H](NC(=O)CCc1cnn(C)c1C)C(=O)[O-]	ZINC000910051393	613067828	/nfs/dbraw/zinc/06/78/28/613067828.db2.gz	UIBXHNKEMAUVJZ-NSHDSACASA-N	-1	0	263.297	0.254	20	30		CCEDRM
C#CC[C@H](NC(=O)Cc1c(C)cc(C)[nH]c1=O)C(=O)[O-]	ZINC000910048008	613068013	/nfs/dbraw/zinc/06/80/13/613068013.db2.gz	BQTOVPOUDOOLAZ-NSHDSACASA-N	-1	0	276.292	0.539	20	30		CCEDRM
C#CC[C@H](NC(=O)Cc1ccc2c(c1)OCCO2)C(=O)[O-]	ZINC000910053303	613068254	/nfs/dbraw/zinc/06/82/54/613068254.db2.gz	QPIHSZAOIHTGGC-NSHDSACASA-N	-1	0	289.287	0.593	20	30		CCEDRM
C#CC[C@H](NC(=O)Nc1ccnn1C1CC1)C(=O)[O-]	ZINC000900354021	613068480	/nfs/dbraw/zinc/06/84/80/613068480.db2.gz	XMZLATAEKLYGKL-VIFPVBQESA-N	-1	0	262.269	0.816	20	30		CCEDRM
C#CC[C@H](NC(=O)[C@](C)(O)CCc1ccccc1)C(=O)[O-]	ZINC000910050896	613069812	/nfs/dbraw/zinc/06/98/12/613069812.db2.gz	PPZOUFHMECXJIJ-XJKSGUPXSA-N	-1	0	289.331	0.963	20	30		CCEDRM
C#CC[C@H](NC(=O)c1c(C2CCC2)cnn1C)C(=O)[O-]	ZINC000910046360	613069986	/nfs/dbraw/zinc/06/99/86/613069986.db2.gz	NGANZILOQHTVEV-NSHDSACASA-N	-1	0	275.308	0.894	20	30		CCEDRM
C#CC[C@H](NC(=O)c1ccnc(C2CC2)n1)C(=O)[O-]	ZINC000910052281	613070366	/nfs/dbraw/zinc/07/03/66/613070366.db2.gz	SBFAQYZDDUVCIW-JTQLQIEISA-N	-1	0	259.265	0.560	20	30		CCEDRM
C#CCn1cc(CNC(=O)C[C@@H](C)CC(=O)[O-])cn1	ZINC000911715814	613076802	/nfs/dbraw/zinc/07/68/02/613076802.db2.gz	CFTMNOIIOXLFND-SNVBAGLBSA-N	-1	0	263.297	0.633	20	30		CCEDRM
C#CCN(C)S(=O)(=O)c1cc(CC(=O)[O-])ccc1OC	ZINC000871949340	613079494	/nfs/dbraw/zinc/07/94/94/613079494.db2.gz	XEAROEKVUCFSHC-UHFFFAOYSA-N	-1	0	297.332	0.576	20	30		CCEDRM
C#C[C@@H](C)NS(=O)(=O)c1cc(C(=O)OC)ccn1	ZINC000915042360	613082355	/nfs/dbraw/zinc/08/23/55/613082355.db2.gz	WRZXMJKOHHNDMT-MRVPVSSYSA-N	-1	0	268.294	0.168	20	30		CCEDRM
C#C[C@@H](CC)NS(=O)(=O)N=[S@@](C)(=O)CC	ZINC000867198372	613084510	/nfs/dbraw/zinc/08/45/10/613084510.db2.gz	JFZFFSOCLWYVFT-RTHLEPHNSA-N	-1	0	252.361	0.350	20	30		CCEDRM
C#C[C@@H](CO)NC(=O)c1cc(C#N)c(SC)[n-]c1=O	ZINC000854765652	613089291	/nfs/dbraw/zinc/08/92/91/613089291.db2.gz	OZGKZWUAKGUDGV-QMMMGPOBSA-N	-1	0	277.305	0.105	20	30		CCEDRM
C#C[C@@H](NC(=O)c1cc(C(=O)[O-])cnc1C)[C@H]1CCCO1	ZINC000911577609	613098735	/nfs/dbraw/zinc/09/87/35/613098735.db2.gz	DACKLLYLABFFJJ-CHWSQXEVSA-N	-1	0	288.303	0.999	20	30		CCEDRM
C#C[C@@H](NS(=O)(=O)c1cc([O-])cc(F)c1)[C@H]1CCCO1	ZINC000867125817	613100303	/nfs/dbraw/zinc/10/03/03/613100303.db2.gz	ZHZPLJHPOXMQAR-CHWSQXEVSA-N	-1	0	299.323	0.990	20	30		CCEDRM
C#CCN(CC(=O)[O-])S(=O)(=O)C[C@H](C)CCC	ZINC000849219392	613103535	/nfs/dbraw/zinc/10/35/35/613103535.db2.gz	SQAQSDMTTXKEPK-SNVBAGLBSA-N	-1	0	261.343	0.772	20	30		CCEDRM
C#C[C@H]1CC[C@H](NC(=O)CSc2n[nH]c(=O)[n-]2)CC1	ZINC000874862640	613107422	/nfs/dbraw/zinc/10/74/22/613107422.db2.gz	OVSNBNMKPRGYRA-KYZUINATSA-N	-1	0	280.353	0.911	20	30		CCEDRM
C#CCN1CC([C@H](C)NC(=O)c2c(C)nc[nH]c2=O)C1	ZINC000970312457	613124479	/nfs/dbraw/zinc/12/44/79/613124479.db2.gz	KRXYUURBUQUEKU-VIFPVBQESA-N	-1	0	274.324	0.174	20	30		CCEDRM
C#C[C@H](CO)NC(=O)c1nn(-c2ccccc2CC)cc1[O-]	ZINC000854777441	613130177	/nfs/dbraw/zinc/13/01/77/613130177.db2.gz	CKAWISRAZRKHEU-GFCCVEGCSA-N	-1	0	299.330	0.864	20	30		CCEDRM
C/C=C(/C)C(=O)[N-]S(=O)(=O)c1cncc(C#N)c1	ZINC000813980499	613132164	/nfs/dbraw/zinc/13/21/64/613132164.db2.gz	BSMIHTBPDNYYAT-BAQGIRSFSA-N	-1	0	265.294	0.724	20	30		CCEDRM
C#C[C@H](NC(=O)NCC(=O)[N-]OCC)C(C)(C)C	ZINC000845533272	613139122	/nfs/dbraw/zinc/13/91/22/613139122.db2.gz	SEPJFHLGQWGWKZ-VIFPVBQESA-N	-1	0	255.318	0.401	20	30		CCEDRM
C#C[C@H](NC(=O)NCCOCC(=O)[O-])c1ccc(F)cc1	ZINC000874409237	613139694	/nfs/dbraw/zinc/13/96/94/613139694.db2.gz	XFXHVDYMSRLORF-LBPRGKRZSA-N	-1	0	294.282	0.900	20	30		CCEDRM
C#C[C@H](NC(=O)[C@@H](C(=O)[O-])C(C)C)[C@@H]1CCCO1	ZINC000911579188	613145389	/nfs/dbraw/zinc/14/53/89/613145389.db2.gz	NYBSLTNATGKALA-DCAQKATOSA-N	-1	0	253.298	0.640	20	30		CCEDRM
C#Cc1ccc(C(=O)N(C)[C@H](COCC)C(=O)[O-])nc1	ZINC000825636761	613165991	/nfs/dbraw/zinc/16/59/91/613165991.db2.gz	SHLZBQLJIMASGW-GFCCVEGCSA-N	-1	0	276.292	0.625	20	30		CCEDRM
C#Cc1ccc(C(=O)N2CCC[C@@H](c3n[nH]c(=O)[n-]3)C2)cn1	ZINC000843877190	613169158	/nfs/dbraw/zinc/16/91/58/613169158.db2.gz	CTUMICBCNKWARO-LLVKDONJSA-N	-1	0	297.318	0.906	20	30		CCEDRM
C#Cc1cncc(C(=O)N[C@](C)(CCF)C(=O)[O-])c1	ZINC000909973277	613222683	/nfs/dbraw/zinc/22/26/83/613222683.db2.gz	XOUAHPRLHGAYAD-CYBMUJFWSA-N	-1	0	264.256	0.996	20	30		CCEDRM
C=C(C)CN(CC)C(=O)C(=O)NC[C@H](CC)C(=O)[O-]	ZINC000927960133	613292935	/nfs/dbraw/zinc/29/29/35/613292935.db2.gz	MRNJDFPTLXOXLJ-JTQLQIEISA-N	-1	0	270.329	0.638	20	30		CCEDRM
C=C(C)CNS(=O)(=O)N=S(=O)(CC)CC	ZINC000867128050	613347379	/nfs/dbraw/zinc/34/73/79/613347379.db2.gz	BAEVRHFKIRVJNI-UHFFFAOYSA-N	-1	0	254.377	0.905	20	30		CCEDRM
C=C(C)COCCNC(=O)N[C@@H](CSC)C(=O)[O-]	ZINC000905535936	613352007	/nfs/dbraw/zinc/35/20/07/613352007.db2.gz	FEQMRDPBIXUOEQ-VIFPVBQESA-N	-1	0	276.358	0.695	20	30		CCEDRM
C=C(C)COCCNC(=O)[C@H]1COCCN1C(=O)[O-]	ZINC000823480588	613352130	/nfs/dbraw/zinc/35/21/30/613352130.db2.gz	HRUJKPMGIUENCK-SNVBAGLBSA-N	-1	0	272.301	0.074	20	30		CCEDRM
C=C(C)COCCNC(=O)[C@@H](C)CN(C)C(=O)[O-]	ZINC000823480764	613352188	/nfs/dbraw/zinc/35/21/88/613352188.db2.gz	NSJNOCQMZGHRDJ-JTQLQIEISA-N	-1	0	258.318	0.941	20	30		CCEDRM
C=C(C)CO[N-]C(=O)C(=O)Nc1cc(C)[nH]c1C(=O)OC	ZINC000846145825	613352426	/nfs/dbraw/zinc/35/24/26/613352426.db2.gz	IBHQDYFZKVDVNP-UHFFFAOYSA-N	-1	0	295.295	0.672	20	30		CCEDRM
C=C(C)CO[N-]C(=O)CN(C)Cc1nnc(C)n1C	ZINC000846539750	613352461	/nfs/dbraw/zinc/35/24/61/613352461.db2.gz	MJOCOEZBPMYYAV-UHFFFAOYSA-N	-1	0	267.333	0.179	20	30		CCEDRM
C=C(C)CO[N-]C(=O)[C@](C)(O)Cn1ccccc1=O	ZINC000846535197	613353963	/nfs/dbraw/zinc/35/39/63/613353963.db2.gz	SKGLWTANHJQXSG-CYBMUJFWSA-N	-1	0	266.297	0.223	20	30		CCEDRM
C=C(C)C[C@@H](NC(=O)NOC[C@H]1CCOC1)C(=O)[O-]	ZINC000909250200	613355939	/nfs/dbraw/zinc/35/59/39/613355939.db2.gz	ATHUNHQUYYXYIR-VHSXEESVSA-N	-1	0	272.301	0.673	20	30		CCEDRM
C=C(C)C[C@@H](NC(=O)c1cn(C)nc1COC)C(=O)[O-]	ZINC000910292819	613356165	/nfs/dbraw/zinc/35/61/65/613356165.db2.gz	IZNFFZPEQIDKRV-SNVBAGLBSA-N	-1	0	281.312	0.716	20	30		CCEDRM
C=C(C)C[C@@H](NC(=O)c1cn2c(n1)COCC2)C(=O)[O-]	ZINC000910291494	613356212	/nfs/dbraw/zinc/35/62/12/613356212.db2.gz	JEAGABNFAMWGNJ-SECBINFHSA-N	-1	0	279.296	0.563	20	30		CCEDRM
C=C(C)C[C@@H](NC(=O)c1cnn(CC)n1)C(=O)[O-]	ZINC000910292783	613356281	/nfs/dbraw/zinc/35/62/81/613356281.db2.gz	IJKLGSIVIOSJCR-MRVPVSSYSA-N	-1	0	252.274	0.447	20	30		CCEDRM
C=C(C)C[C@@H](NC(C)=O)C(=O)NCCc1n[n-]c(=S)o1	ZINC000832362586	613356384	/nfs/dbraw/zinc/35/63/84/613356384.db2.gz	BXWJBIBFQIIYSE-SECBINFHSA-N	-1	0	298.368	0.488	20	30		CCEDRM
C=C(C)C[C@@H](NC(C)=O)C(=O)[N-]S(=O)(=O)CC(F)F	ZINC000851363826	613356477	/nfs/dbraw/zinc/35/64/77/613356477.db2.gz	JSQYGWSQYLDQDQ-MRVPVSSYSA-N	-1	0	298.311	0.168	20	30		CCEDRM
C=C(C)C[C@H](C)C(=O)[N-]S(=O)(=O)CC(=O)OCC	ZINC000838846389	613357056	/nfs/dbraw/zinc/35/70/56/613357056.db2.gz	JMZHYVQYCXLSGN-VIFPVBQESA-N	-1	0	277.342	0.598	20	30		CCEDRM
C=C(C)C[C@H](NC(=O)Nc1ccnn1C)C(=O)[O-]	ZINC000900327043	613358775	/nfs/dbraw/zinc/35/87/75/613358775.db2.gz	XZFZKQDHUVQNJW-QMMMGPOBSA-N	-1	0	252.274	0.961	20	30		CCEDRM
C=C(C)C[C@H](NC(=O)NC[C@@]1(OC)CCOC1)C(=O)[O-]	ZINC000909190379	613358812	/nfs/dbraw/zinc/35/88/12/613358812.db2.gz	ODAQDOQOCPIFQS-GWCFXTLKSA-N	-1	0	286.328	0.511	20	30		CCEDRM
C=C(C)[C@H]1OCC[C@H]1C(=O)N(CCOC)CC(=O)[O-]	ZINC000901427408	613362852	/nfs/dbraw/zinc/36/28/52/613362852.db2.gz	HJZFDHKIMIPXDO-ZYHUDNBSSA-N	-1	0	271.313	0.527	20	30		CCEDRM
C=C(CC)CNC(=O)CCCn1c(=O)[n-][nH]c1=O	ZINC000909388027	613363222	/nfs/dbraw/zinc/36/32/22/613363222.db2.gz	SIXCQFPCDAIYFS-UHFFFAOYSA-N	-1	0	254.290	0.552	20	30		CCEDRM
C=C(Cl)C[C@@H](NC(=O)[C@@H](O)c1cccnc1)C(=O)[O-]	ZINC000910264806	613388541	/nfs/dbraw/zinc/38/85/41/613388541.db2.gz	DQQKVCZTYSERLX-ZJUUUORDSA-N	-1	0	284.699	0.827	20	30		CCEDRM
C=C(Cl)C[C@@H](NC(=O)Cn1cc(C)cn1)C(=O)[O-]	ZINC000864183153	613388550	/nfs/dbraw/zinc/38/85/50/613388550.db2.gz	QYFLCPMFWGEEMG-SECBINFHSA-N	-1	0	271.704	0.904	20	30		CCEDRM
C=C(Cl)C[C@@H](NS(=O)(=O)N(C)C(C)C)C(=O)[O-]	ZINC000863420858	613388766	/nfs/dbraw/zinc/38/87/66/613388766.db2.gz	NOSDTWCKOGXNEA-MRVPVSSYSA-N	-1	0	284.765	0.757	20	30		CCEDRM
C=C(Cl)C[C@@H](NS(=O)(=O)N1CCC[C@H]1C)C(=O)[O-]	ZINC000863421469	613388796	/nfs/dbraw/zinc/38/87/96/613388796.db2.gz	YJKIJAMOUDVFHI-RKDXNWHRSA-N	-1	0	296.776	0.901	20	30		CCEDRM
C=C(Cl)C[C@H](NC(=O)NCCOCCF)C(=O)[O-]	ZINC000864530880	613390671	/nfs/dbraw/zinc/39/06/71/613390671.db2.gz	ORLFJJBSSBWWLR-QMMMGPOBSA-N	-1	0	282.699	0.868	20	30		CCEDRM
C=C(Cl)C[C@H](NC(=O)c1cc2n(n1)CCO2)C(=O)[O-]	ZINC000910267748	613390839	/nfs/dbraw/zinc/39/08/39/613390839.db2.gz	UOPISUZUZYCFKS-QMMMGPOBSA-N	-1	0	285.687	0.601	20	30		CCEDRM
C=C(Cl)C[C@H](NS(=O)(=O)C1CC1)C(=O)[O-]	ZINC000863420981	613390850	/nfs/dbraw/zinc/39/08/50/613390850.db2.gz	PBLOJXRUSHQKJC-ZETCQYMHSA-N	-1	0	253.707	0.664	20	30		CCEDRM
C=CCSCCNC(=O)[C@H]1CN(C(=O)[O-])CCO1	ZINC000823516905	613395855	/nfs/dbraw/zinc/39/58/55/613395855.db2.gz	YBQVSCWKRCSPAX-SECBINFHSA-N	-1	0	274.342	0.401	20	30		CCEDRM
C=CC[C@@H](CO)CNS(=O)(=O)N=[S@](C)(=O)CC	ZINC000867057202	613402888	/nfs/dbraw/zinc/40/28/88/613402888.db2.gz	JJTGXUITIZIDJO-JDNHERCYSA-N	-1	0	284.403	0.123	20	30		CCEDRM
C=C1CCC(CNC(=O)NCC(=O)[N-]OC)CC1	ZINC000926550509	613413863	/nfs/dbraw/zinc/41/38/63/613413863.db2.gz	MWJZXFFOIRASTQ-UHFFFAOYSA-N	-1	0	255.318	0.710	20	30		CCEDRM
C=CC[C@H]1CCN1C(=O)CCCn1c(=O)[n-][nH]c1=O	ZINC000890550440	613422332	/nfs/dbraw/zinc/42/23/32/613422332.db2.gz	XNIWOGAVNRHJRG-VIFPVBQESA-N	-1	0	266.301	0.647	20	30		CCEDRM
C=CC(C)(C)C(=O)N1CCCN(Cc2n[nH]c(=O)[n-]2)CC1	ZINC000981753709	613431767	/nfs/dbraw/zinc/43/17/67/613431767.db2.gz	JTQGGHDVDXPWFZ-UHFFFAOYSA-N	-1	0	293.371	0.757	20	30		CCEDRM
C=C[C@@H](C)NC(=O)NCCCN1CCN(C(=O)[O-])CC1	ZINC000823491323	613442351	/nfs/dbraw/zinc/44/23/51/613442351.db2.gz	UXMMUCOTHILYET-LLVKDONJSA-N	-1	0	284.360	0.546	20	30		CCEDRM
C=C[C@@H](C)O[N-]C(=O)C(=O)Nc1ccnc(OC)n1	ZINC000846156049	613443184	/nfs/dbraw/zinc/44/31/84/613443184.db2.gz	JZNPDRQVUORSHL-SSDOTTSWSA-N	-1	0	266.257	0.046	20	30		CCEDRM
C=C[C@@H](C)ONC(=O)C[C@H]1CCCS(=O)(=O)C1	ZINC000846552846	613443518	/nfs/dbraw/zinc/44/35/18/613443518.db2.gz	RGGQQMZIUZKKMG-NXEZZACHSA-N	-1	0	261.343	0.824	20	30		CCEDRM
C=CC(C)(C)C(=O)[N-]S(=O)(=O)C[C@H]1CCCO1	ZINC000835287014	613444371	/nfs/dbraw/zinc/44/43/71/613444371.db2.gz	PQBIQTNSTVWRLG-SECBINFHSA-N	-1	0	261.343	0.824	20	30		CCEDRM
C=CC(C)(C)C(=O)[N-]S(=O)(=O)Cc1cnn(C)c1	ZINC000847847134	613444498	/nfs/dbraw/zinc/44/44/98/613444498.db2.gz	AGKMNEPOHRJQJH-UHFFFAOYSA-N	-1	0	271.342	0.578	20	30		CCEDRM
C=C[C@@H](C)O[N-]C(=O)[C@@H]1CCCN1S(C)(=O)=O	ZINC000846542765	613447132	/nfs/dbraw/zinc/44/71/32/613447132.db2.gz	BSENWBUOOLAGLF-BDAKNGLRSA-N	-1	0	262.331	0.033	20	30		CCEDRM
C=C[C@@H](CCC(=O)[O-])NS(=O)(=O)CCCCOC	ZINC000871742206	613449163	/nfs/dbraw/zinc/44/91/63/613449163.db2.gz	KQHPOWODHWUNPX-JTQLQIEISA-N	-1	0	279.358	0.752	20	30		CCEDRM
C=CC1(S(=O)(=O)[N-]C(=O)/C=C\[C@H]2CCOC2)CC1	ZINC000870837360	613449764	/nfs/dbraw/zinc/44/97/64/613449764.db2.gz	IZSZWGNQOMEBHM-XOULXFPDSA-N	-1	0	271.338	0.744	20	30		CCEDRM
C=CC1(S(=O)(=O)[N-]C(=O)Cc2cn(C)nc2C)CC1	ZINC000870837446	613450765	/nfs/dbraw/zinc/45/07/65/613450765.db2.gz	MBMSTPLMTSDEEN-UHFFFAOYSA-N	-1	0	283.353	0.436	20	30		CCEDRM
C=CC1(S(=O)(=O)[N-]C(=O)[C@@H]2CCSC2)CC1	ZINC000870834166	613451295	/nfs/dbraw/zinc/45/12/95/613451295.db2.gz	QEZYPFZZORGSNO-MRVPVSSYSA-N	-1	0	261.368	0.904	20	30		CCEDRM
C=CC1(S(=O)(=O)[N-]C(=O)[C@H](OC)[C@H]2CCOC2)CC1	ZINC000870838650	613451718	/nfs/dbraw/zinc/45/17/18/613451718.db2.gz	IXKPTDDBXVKMCY-VHSXEESVSA-N	-1	0	289.353	0.203	20	30		CCEDRM
C=C[C@@H](O)C(=O)NC[C@H](Cc1ccccc1)C(=O)[O-]	ZINC000909179692	613451745	/nfs/dbraw/zinc/45/17/45/613451745.db2.gz	IRXNQWRYMONQGB-NWDGAFQWSA-N	-1	0	263.293	0.593	20	30		CCEDRM
C=CC1(S(=O)(=O)[N-]C(=O)[C@H]2C[C@H](C)CO2)CC1	ZINC000893305406	613451900	/nfs/dbraw/zinc/45/19/00/613451900.db2.gz	QIORUHHGQCLICV-DTWKUNHWSA-N	-1	0	259.327	0.576	20	30		CCEDRM
C=CC1(S(=O)(=O)[N-]C(=O)c2ccn(C)c2)CC1	ZINC000870834389	613451946	/nfs/dbraw/zinc/45/19/46/613451946.db2.gz	XZUIVFKXUTWWBA-UHFFFAOYSA-N	-1	0	254.311	0.803	20	30		CCEDRM
C=CC1(S(=O)(=O)[N-]C(=O)c2cnn3c2OCCC3)CC1	ZINC000870837758	613452267	/nfs/dbraw/zinc/45/22/67/613452267.db2.gz	AELSBTNRRSYLFW-UHFFFAOYSA-N	-1	0	297.336	0.444	20	30		CCEDRM
C=CC1CCN(C(=O)C(=O)NC[C@@H](CC)C(=O)[O-])CC1	ZINC000927958703	613452378	/nfs/dbraw/zinc/45/23/78/613452378.db2.gz	CUEXUASJUNEMGG-LLVKDONJSA-N	-1	0	282.340	0.638	20	30		CCEDRM
C=CCC(CC=C)C(=O)N1CCN(C(=O)C(=O)[O-])CC1	ZINC000902778775	613453614	/nfs/dbraw/zinc/45/36/14/613453614.db2.gz	ICPDVZVYHXVPKM-UHFFFAOYSA-N	-1	0	280.324	0.510	20	30		CCEDRM
C=CCC(CC=C)C(=O)NCCn1cc(C(=O)[O-])nn1	ZINC000909818940	613453624	/nfs/dbraw/zinc/45/36/24/613453624.db2.gz	VUEYVZXBZMXGIF-UHFFFAOYSA-N	-1	0	278.312	0.861	20	30		CCEDRM
C=CCC(F)(F)C(=O)[N-]S(=O)(=O)C[C@H](C)OC	ZINC000816049616	613454968	/nfs/dbraw/zinc/45/49/68/613454968.db2.gz	OMXOFLSZRSSASY-ZETCQYMHSA-N	-1	0	271.285	0.679	20	30		CCEDRM
C=C[C@@H]1OCCC[C@H]1NC(=O)NCC(=O)[N-]OCC	ZINC000845530712	613460118	/nfs/dbraw/zinc/46/01/18/613460118.db2.gz	SWAFNFPFAAEUBS-ZJUUUORDSA-N	-1	0	271.317	0.087	20	30		CCEDRM
C=CCC1(S(=O)(=O)[N-]C(=O)CCc2cnn(C)c2)CC1	ZINC000810983763	613460859	/nfs/dbraw/zinc/46/08/59/613460859.db2.gz	YLHKJWDBPOEHEZ-UHFFFAOYSA-N	-1	0	297.380	0.907	20	30		CCEDRM
C=CCC1(S(=O)(=O)[N-]C(=O)CC2OCCO2)CC1	ZINC000810987205	613460861	/nfs/dbraw/zinc/46/08/61/613460861.db2.gz	BVACRWGDMYTAIF-UHFFFAOYSA-N	-1	0	275.326	0.304	20	30		CCEDRM
C=CCC1(S(=O)(=O)[N-]C(=O)[C@H]2CCC(=O)C2)CC1	ZINC000842798988	613461201	/nfs/dbraw/zinc/46/12/01/613461201.db2.gz	IDNIOGUEQVBWSH-VIFPVBQESA-N	-1	0	271.338	0.910	20	30		CCEDRM
C=CCCCC(=O)N1CCN(C)C[C@@H]1CNC(=O)[O-]	ZINC000823496756	613464489	/nfs/dbraw/zinc/46/44/89/613464489.db2.gz	PHAZASJBSXEYRM-NSHDSACASA-N	-1	0	269.345	0.753	20	30		CCEDRM
C=CCCCN(C)C(=O)[C@H]1CN(C(=O)[O-])CCO1	ZINC000823496867	613466546	/nfs/dbraw/zinc/46/65/46/613466546.db2.gz	RJTCLOKTPULMFM-SNVBAGLBSA-N	-1	0	256.302	0.790	20	30		CCEDRM
C=C[C@@H]1OCC[C@H]1CNC(=O)Cn1ccc(C(=O)[O-])n1	ZINC000909850617	613469014	/nfs/dbraw/zinc/46/90/14/613469014.db2.gz	GUQAGJBEYQDZMN-ONGXEEELSA-N	-1	0	279.296	0.289	20	30		CCEDRM
C=CCCCS(=O)(=O)NC[C@H]1CCO[C@H]1C(=O)[O-]	ZINC000871998876	613469048	/nfs/dbraw/zinc/46/90/48/613469048.db2.gz	XGJHVAAQBJZMCF-NXEZZACHSA-N	-1	0	277.342	0.362	20	30		CCEDRM
C=CCCCS(=O)(=O)N[C@@H](CSC)C(=O)[O-]	ZINC000903054097	613469536	/nfs/dbraw/zinc/46/95/36/613469536.db2.gz	GABACFAIFXFZFR-QMMMGPOBSA-N	-1	0	267.372	0.688	20	30		CCEDRM
C=CCCCS(=O)(=O)N[C@H](C(=O)[O-])[C@@H](C)OC	ZINC000899935083	613469804	/nfs/dbraw/zinc/46/98/04/613469804.db2.gz	OSNXWWFMJDMFCV-BDAKNGLRSA-N	-1	0	265.331	0.360	20	30		CCEDRM
C=CCCC[C@@H](NC(=O)[C@]1(O)CCOC1)C(=O)[O-]	ZINC000910916660	613471418	/nfs/dbraw/zinc/47/14/18/613471418.db2.gz	HSPDDRAIXGZOPV-SKDRFNHKSA-N	-1	0	257.286	0.064	20	30		CCEDRM
C=CCCC[C@@H](NC(=O)c1nnn(C)c1C)C(=O)[O-]	ZINC000910918063	613471575	/nfs/dbraw/zinc/47/15/75/613471575.db2.gz	WXDDJRNDZRLGIQ-SECBINFHSA-N	-1	0	266.301	0.663	20	30		CCEDRM
C=CCCC[C@@H](NS(=O)(=O)N1CCCC1)C(=O)[O-]	ZINC000903059943	613471961	/nfs/dbraw/zinc/47/19/61/613471961.db2.gz	XRUQHPMSTUDTCA-SNVBAGLBSA-N	-1	0	276.358	0.726	20	30		CCEDRM
C=CCCC[C@H](NC(=O)C1(C(=O)NC)CC1)C(=O)[O-]	ZINC000910913917	613472856	/nfs/dbraw/zinc/47/28/56/613472856.db2.gz	GBBMRFVVHDNZCF-VIFPVBQESA-N	-1	0	268.313	0.438	20	30		CCEDRM
C=CCCC[C@H](C)NC(=O)N=c1nn[n-]n1CC	ZINC000888331143	613472952	/nfs/dbraw/zinc/47/29/52/613472952.db2.gz	DXNHUIILBXNZOG-VIFPVBQESA-N	-1	0	252.322	0.981	20	30		CCEDRM
C=CCCC[C@H](NC(=O)Cc1cncn1C)C(=O)[O-]	ZINC000910915744	613473399	/nfs/dbraw/zinc/47/33/99/613473399.db2.gz	AEHHJSAXSLMVOU-NSHDSACASA-N	-1	0	265.313	0.888	20	30		CCEDRM
C=C[C@@](C)(CC)C(=O)N1CCN(Cc2n[nH]c(=O)[n-]2)CC1	ZINC000950051218	613473608	/nfs/dbraw/zinc/47/36/08/613473608.db2.gz	IVJDZINULGQTCJ-AWEZNQCLSA-N	-1	0	293.371	0.757	20	30		CCEDRM
C=CCCC[C@H](NC(=O)[C@@H](C)n1cncn1)C(=O)[O-]	ZINC000910913896	613473623	/nfs/dbraw/zinc/47/36/23/613473623.db2.gz	FPVBTFCBCMVHEE-ZJUUUORDSA-N	-1	0	266.301	0.765	20	30		CCEDRM
C=C[C@@](C)(O)C(=O)N1CCC[C@](COC)(C(=O)[O-])C1	ZINC000909717022	613477344	/nfs/dbraw/zinc/47/73/44/613477344.db2.gz	WBANNWWOCAQXCQ-OLZOCXBDSA-N	-1	0	271.313	0.263	20	30		CCEDRM
C=C[C@@](C)(O)C(=O)NC[C@@H](Cc1ccccc1)C(=O)[O-]	ZINC000909182877	613478374	/nfs/dbraw/zinc/47/83/74/613478374.db2.gz	OOPMALKHPDKHFU-IUODEOHRSA-N	-1	0	277.320	0.983	20	30		CCEDRM
C=C[C@@](C)(O)C(=O)N[C@H](CC(=O)[O-])C(F)(F)F	ZINC000911157689	613478882	/nfs/dbraw/zinc/47/88/82/613478882.db2.gz	KXTBNKGCERARPA-SVGQVSJJSA-N	-1	0	255.192	0.445	20	30		CCEDRM
C=C[C@H](C)O[N-]C(=O)CN1C(=O)NC2(CCCCC2)C1=O	ZINC000846543972	613484195	/nfs/dbraw/zinc/48/41/95/613484195.db2.gz	TWJPREKUVGMOLK-JTQLQIEISA-N	-1	0	295.339	0.863	20	30		CCEDRM
C=C[C@H](C)O[N-]C(=O)Cn1c(C)ncc1[N+](=O)[O-]	ZINC000824033058	613484620	/nfs/dbraw/zinc/48/46/20/613484620.db2.gz	ASKXLJXDXBBNEA-ZETCQYMHSA-N	-1	0	254.246	0.722	20	30		CCEDRM
C=C[C@H](C)O[N-]C(=O)[C@H](NS(C)(=O)=O)C(C)C	ZINC000846549713	613488257	/nfs/dbraw/zinc/48/82/57/613488257.db2.gz	KYABCIKIAFROGS-DTWKUNHWSA-N	-1	0	264.347	0.183	20	30		CCEDRM
C=C[C@H](C)O[N-]C(=O)[C@](C)(O)Cn1c(C)cccc1=O	ZINC000846553326	613488549	/nfs/dbraw/zinc/48/85/49/613488549.db2.gz	APPSSWHBBBBEJV-SMDDNHRTSA-N	-1	0	280.324	0.530	20	30		CCEDRM
C=C[C@H](CC(=O)N[C@@H](CO)C(=O)[O-])c1ccccc1	ZINC000911256605	613488672	/nfs/dbraw/zinc/48/86/72/613488672.db2.gz	BARKDQDECJAQIH-PWSUYJOCSA-N	-1	0	263.293	0.908	20	30		CCEDRM
C=C[C@H](CC)CC(=O)N[C@@H](C)C(=O)N[C@H](C)C(=O)[O-]	ZINC000907771930	613489860	/nfs/dbraw/zinc/48/98/60/613489860.db2.gz	NDOKSJPTQWSKTE-IVZWLZJFSA-N	-1	0	270.329	0.683	20	30		CCEDRM
C=C[C@H](O)C(=O)N1C[C@H](C(=O)[O-])[C@@H](C(F)(F)F)C1	ZINC000910391393	613495456	/nfs/dbraw/zinc/49/54/56/613495456.db2.gz	FJPFPGBTESSZGL-ACZMJKKPSA-N	-1	0	267.203	0.255	20	30		CCEDRM
C=C[C@H](O)C(=O)NC[C@@H](Cc1cccc(C)c1)C(=O)[O-]	ZINC000909237665	613495845	/nfs/dbraw/zinc/49/58/45/613495845.db2.gz	IRQHGHZRCWBRHK-OLZOCXBDSA-N	-1	0	277.320	0.901	20	30		CCEDRM
C=C[C@H](O)C(=O)N[C@H](CC(=O)[O-])c1cccs1	ZINC000908641688	613497486	/nfs/dbraw/zinc/49/74/86/613497486.db2.gz	KMOYFXXHWUACSE-SFYZADRCSA-N	-1	0	255.295	0.927	20	30		CCEDRM
C=C[C@H](O)C(=O)N[C@H](CC(=O)[O-])c1cccc(OC)c1	ZINC000908852878	613497650	/nfs/dbraw/zinc/49/76/50/613497650.db2.gz	DHMFRIYPLUWSKG-NEPJUHHUSA-N	-1	0	279.292	0.874	20	30		CCEDRM
C=C[C@](C)(CC)C(=O)NCCn1cc(C(=O)[O-])nn1	ZINC000909819394	613505162	/nfs/dbraw/zinc/50/51/62/613505162.db2.gz	ZKNDKMNBULNQOX-GFCCVEGCSA-N	-1	0	266.301	0.695	20	30		CCEDRM
C=C[C@](C)(O)C(=O)N1CC[C@](C(=O)[O-])(C(C)C)C1	ZINC000909699355	613507142	/nfs/dbraw/zinc/50/71/42/613507142.db2.gz	GJOTWPPIGYYDBT-QWHCGFSZSA-N	-1	0	255.314	0.883	20	30		CCEDRM
C=C[C@](C)(O)C(=O)N[C@@H](Cc1ccc(F)cc1)C(=O)[O-]	ZINC000910925338	613508142	/nfs/dbraw/zinc/50/81/42/613508142.db2.gz	GMORAZPXSVEFGZ-FZMZJTMJSA-N	-1	0	281.283	0.875	20	30		CCEDRM
C=CCCS(=O)(=O)NCC[C@@H]1CCN(C(=O)[O-])C1	ZINC000823501369	613581139	/nfs/dbraw/zinc/58/11/39/613581139.db2.gz	VXDXWLYEHXVTPR-SNVBAGLBSA-N	-1	0	276.358	0.872	20	30		CCEDRM
C=CCCOCC(=O)N[C@@H](C)C1(C(=O)[O-])CCOCC1	ZINC000907906000	613572796	/nfs/dbraw/zinc/57/27/96/613572796.db2.gz	SAHPXIYIFIJNBG-NSHDSACASA-N	-1	0	285.340	0.965	20	30		CCEDRM
C=CCCS(=O)(=O)N(C)[C@H]1CCN(C(=O)[O-])C1	ZINC000823496171	613580101	/nfs/dbraw/zinc/58/01/01/613580101.db2.gz	DZJZFCYRLDGGRU-VIFPVBQESA-N	-1	0	262.331	0.576	20	30		CCEDRM
C=CCCS(=O)(=O)N1CCCN(C(=O)[O-])CC1	ZINC000823501150	613580835	/nfs/dbraw/zinc/58/08/35/613580835.db2.gz	RJBFMKPPXZOALO-UHFFFAOYSA-N	-1	0	262.331	0.578	20	30		CCEDRM
C=CCCS(=O)(=O)N1C[C@@H]2CC[C@]2(C(=O)[O-])C1	ZINC000899950973	613581074	/nfs/dbraw/zinc/58/10/74/613581074.db2.gz	QHPNUXQCLZXLPI-ONGXEEELSA-N	-1	0	259.327	0.689	20	30		CCEDRM
C=CCCS(=O)(=O)N[C@H](CNC(=O)[O-])C1CC1	ZINC000823501384	613581607	/nfs/dbraw/zinc/58/16/07/613581607.db2.gz	WFISYQCZANETOW-SECBINFHSA-N	-1	0	262.331	0.528	20	30		CCEDRM
C=CCC[C@@H](NC(=O)[C@H]1OCCO[C@H]1C)C(=O)[O-]	ZINC000909714966	613585266	/nfs/dbraw/zinc/58/52/66/613585266.db2.gz	JKNAOVZNWVJAHP-AEJSXWLSSA-N	-1	0	257.286	0.326	20	30		CCEDRM
C=CCC[C@@H](NS(=O)(=O)c1cnc(C)n1C)C(=O)[O-]	ZINC000863407502	613585745	/nfs/dbraw/zinc/58/57/45/613585745.db2.gz	RVXKZACHOXRTDZ-SECBINFHSA-N	-1	0	287.341	0.426	20	30		CCEDRM
C=CCC[C@H](NS(=O)(=O)N(C)C[C@@H](C)C#N)C(=O)[O-]	ZINC000844785757	613590297	/nfs/dbraw/zinc/59/02/97/613590297.db2.gz	MRUIASDHDREULM-UWVGGRQHSA-N	-1	0	289.357	0.332	20	30		CCEDRM
C=CCCn1cc(C(=O)N(CCOC)CCC(=O)[O-])nn1	ZINC000819924588	613592757	/nfs/dbraw/zinc/59/27/57/613592757.db2.gz	ODXULZCKSFFDSF-UHFFFAOYSA-N	-1	0	296.327	0.418	20	30		CCEDRM
C=CCN(C(=O)C(=O)N1CC[C@@H](C)[C@H](C(=O)[O-])C1)C(C)C	ZINC000843055177	613601682	/nfs/dbraw/zinc/60/16/82/613601682.db2.gz	FXVCVFOLPYZUFH-VXGBXAGGSA-N	-1	0	296.367	0.979	20	30		CCEDRM
C=CCN(C(=O)C(=O)N1CC[C@@](C)(C(=O)[O-])C1)C(C)C	ZINC000817894200	613602126	/nfs/dbraw/zinc/60/21/26/613602126.db2.gz	KTNKGJHCJYFHJZ-CQSZACIVSA-N	-1	0	282.340	0.733	20	30		CCEDRM
C=CCN(C(=O)c1ccc(-c2nn[nH]n2)[nH]1)C1CC1	ZINC000823903999	613607383	/nfs/dbraw/zinc/60/73/83/613607383.db2.gz	QQFIVRSFUIKZIB-UHFFFAOYSA-N	-1	0	258.285	0.985	20	30		CCEDRM
C=CCN(CC(=O)[O-])C(=O)CCc1nc(CSC)no1	ZINC000909515528	613641827	/nfs/dbraw/zinc/64/18/27/613641827.db2.gz	WXCDAUYTRBGCOQ-UHFFFAOYSA-N	-1	0	299.352	0.964	20	30		CCEDRM
C=CCN(CC(=O)[O-])C(=O)[C@H]1CCc2cnc(C)n2C1	ZINC000864134719	613643676	/nfs/dbraw/zinc/64/36/76/613643676.db2.gz	BNCIZCVFCRUEOG-NSHDSACASA-N	-1	0	277.324	0.853	20	30		CCEDRM
C=CCN(CC(=O)[O-])S(=O)(=O)c1ccc(N(C)C)nc1	ZINC000830043074	613643725	/nfs/dbraw/zinc/64/37/25/613643725.db2.gz	SIWZPMOUFCIZBT-UHFFFAOYSA-N	-1	0	299.352	0.409	20	30		CCEDRM
C=CCN(CC(=O)[O-])C(=O)c1cnc([C@@H](C)O)s1	ZINC000909516663	613643748	/nfs/dbraw/zinc/64/37/48/613643748.db2.gz	MIXMQVSXKGHSIU-SSDOTTSWSA-N	-1	0	270.310	0.909	20	30		CCEDRM
CC#CCS(=O)(=O)[N-]C(=O)COc1cccc(C)c1	ZINC000810775701	613645853	/nfs/dbraw/zinc/64/58/53/613645853.db2.gz	QIWFLHGSBOCEJP-UHFFFAOYSA-N	-1	0	281.333	0.843	20	30		CCEDRM
CC#CCS(=O)(=O)[N-]C(=O)[C@@H]1CCCc2nn(C)cc21	ZINC000810775052	613646750	/nfs/dbraw/zinc/64/67/50/613646750.db2.gz	XEFORNWKODMVPH-SNVBAGLBSA-N	-1	0	295.364	0.309	20	30		CCEDRM
CC#CCS(=O)(=O)[N-]C(=O)[C@@H]1CCCOCC1	ZINC000810776025	613646804	/nfs/dbraw/zinc/64/68/04/613646804.db2.gz	FBNRUDBECSADCH-SNVBAGLBSA-N	-1	0	259.327	0.272	20	30		CCEDRM
CC#CCS(=O)(=O)[N-]C(=O)[C@]12CCC[C@H]1OCC2	ZINC000870329604	613647537	/nfs/dbraw/zinc/64/75/37/613647537.db2.gz	IOAPFWSXENFZGA-PWSUYJOCSA-N	-1	0	271.338	0.415	20	30		CCEDRM
CC#CCS(=O)(=O)[N-]C(=O)c1cc(CCC)n[nH]1	ZINC000810777801	613647593	/nfs/dbraw/zinc/64/75/93/613647593.db2.gz	PWYKEJMDCRDHJQ-UHFFFAOYSA-N	-1	0	269.326	0.445	20	30		CCEDRM
CC#CCS(=O)(=O)[N-]C(=O)c1cc(C)cnc1F	ZINC000870332684	613647595	/nfs/dbraw/zinc/64/75/95/613647595.db2.gz	YLANUVSWMZUHHR-UHFFFAOYSA-N	-1	0	270.285	0.612	20	30		CCEDRM
CC#CCS(=O)(=O)[N-]C(=O)c1cc(-c2ccoc2)n[nH]1	ZINC000810778167	613647631	/nfs/dbraw/zinc/64/76/31/613647631.db2.gz	WVVGJVRAYPNGCL-UHFFFAOYSA-N	-1	0	293.304	0.753	20	30		CCEDRM
CC(=NNCC(=O)[O-])c1cc2c(cc1[N+](=O)[O-])OCO2	ZINC000814959250	613654528	/nfs/dbraw/zinc/65/45/28/613654528.db2.gz	WMJUGWMKLIRBOA-UHFFFAOYSA-N	-1	0	281.224	0.722	20	30		CCEDRM
CC(=NNCC(=O)[O-])c1cccc(OCC(=O)N(C)C)c1	ZINC000814959308	613654608	/nfs/dbraw/zinc/65/46/08/613654608.db2.gz	ZKDYOFDMTKAOKV-UHFFFAOYSA-N	-1	0	293.323	0.552	20	30		CCEDRM
CC(=NN[C@H](C)CO)c1ccc(-c2nn[nH]n2)s1	ZINC000823953786	613656772	/nfs/dbraw/zinc/65/67/72/613656772.db2.gz	QDJUIWSUTINDIV-ZCFIWIBFSA-N	-1	0	266.330	0.623	20	30		CCEDRM
CC(=O)N1CCC(CNC(=O)[C@@](C)(C#N)CC(=O)[O-])CC1	ZINC000819731240	613803965	/nfs/dbraw/zinc/80/39/65/613803965.db2.gz	FTUBSVIWMYVROT-CQSZACIVSA-N	-1	0	295.339	0.366	20	30		CCEDRM
C=CCNC(=O)COC(=O)c1cncc(C(=O)[O-])c1	ZINC000833376343	613848466	/nfs/dbraw/zinc/84/84/66/613848466.db2.gz	BJWOJCAWMMYBJC-UHFFFAOYSA-N	-1	0	264.237	0.239	20	30		CCEDRM
C=CCNC(=O)C(C#N)=C([O-])c1cnc(N(C)C)cn1	ZINC000847624242	613852986	/nfs/dbraw/zinc/85/29/86/613852986.db2.gz	SOXHWWIQKHJYHQ-VIFPVBQESA-N	-1	0	273.296	0.167	20	30		CCEDRM
C=CCNC(=O)[C@@H](C)OC(=O)CC1(NC(=O)[O-])CCC1	ZINC000823507089	613853648	/nfs/dbraw/zinc/85/36/48/613853648.db2.gz	RVIGRLWTEBRZLF-SECBINFHSA-N	-1	0	284.312	0.801	20	30		CCEDRM
C=CCNC(=O)[C@@H](C)OC(=O)[C@H](CC(C)C)NC(=O)[O-]	ZINC000825687145	613853976	/nfs/dbraw/zinc/85/39/76/613853976.db2.gz	CKLIFRHCULCFBJ-ZJUUUORDSA-N	-1	0	286.328	0.903	20	30		CCEDRM
C=CCNC(=O)C(C#N)=C([O-])c1ccc(N)c([N+](=O)[O-])c1	ZINC000916919108	613854988	/nfs/dbraw/zinc/85/49/88/613854988.db2.gz	ZJGUGBSWRZCVNV-SECBINFHSA-N	-1	0	288.263	0.802	20	30		CCEDRM
C=CCNC(=O)[C@H](C)OC(=O)[C@]1(C)CCN(C(=O)[O-])C1	ZINC000823506330	613855907	/nfs/dbraw/zinc/85/59/07/613855907.db2.gz	GNGNSNZUZBRZQP-TVQRCGJNSA-N	-1	0	284.312	0.610	20	30		CCEDRM
C=CCNC(=O)c1ccc(N2CCOC[C@@H]2C(=O)[O-])nc1	ZINC000900946119	613856240	/nfs/dbraw/zinc/85/62/40/613856240.db2.gz	SRJUCRDMZZTLDC-LLVKDONJSA-N	-1	0	291.307	0.287	20	30		CCEDRM
C=CCOCC(=O)N1CC[C@@H](C(=O)[O-])C[C@H]1C(=O)OC	ZINC000833375549	613879229	/nfs/dbraw/zinc/87/92/29/613879229.db2.gz	DVNDJOKWUIGBQH-ZJUUUORDSA-N	-1	0	285.296	0.054	20	30		CCEDRM
C=CCOCC(=O)NCc1cc(-c2nn[nH]n2)ccc1F	ZINC000819751680	613879417	/nfs/dbraw/zinc/87/94/17/613879417.db2.gz	ZECYOHXGHQGNHW-UHFFFAOYSA-N	-1	0	291.286	0.825	20	30		CCEDRM
C=CCOC[C@@H](NC(=O)Cc1ccn(C(C)C)n1)C(=O)[O-]	ZINC000907670303	613881629	/nfs/dbraw/zinc/88/16/29/613881629.db2.gz	ZXLAGGXPUPLAMR-GFCCVEGCSA-N	-1	0	295.339	0.779	20	30		CCEDRM
C=CCOC[C@@H](NC(=O)c1csc2cncn21)C(=O)[O-]	ZINC000909772974	613881901	/nfs/dbraw/zinc/88/19/01/613881901.db2.gz	ZDALKSMNOINHKP-MRVPVSSYSA-N	-1	0	295.320	0.781	20	30		CCEDRM
C=CCOC[C@H](NC(=O)[C@@H](C)[C@H](C)COC)C(=O)[O-]	ZINC000909765631	613882462	/nfs/dbraw/zinc/88/24/62/613882462.db2.gz	COMYWYKUOWJGTD-VWYCJHECSA-N	-1	0	273.329	0.677	20	30		CCEDRM
C=CCOC[C@H](NC(=O)N[C@H]1CC1(C)C)C(=O)[O-]	ZINC000909239491	613882477	/nfs/dbraw/zinc/88/24/77/613882477.db2.gz	OFWJVFYDETZTLU-IUCAKERBSA-N	-1	0	256.302	0.740	20	30		CCEDRM
C=CCOC[C@H](NC(=O)N[C@H]1CC12CCC2)C(=O)[O-]	ZINC000909041669	613882502	/nfs/dbraw/zinc/88/25/02/613882502.db2.gz	SLWMEDSINKBHGB-UWVGGRQHSA-N	-1	0	268.313	0.884	20	30		CCEDRM
C=CCOC[C@H](NC(=O)[C@@H]1CCn2cncc2C1)C(=O)[O-]	ZINC000909767134	613882530	/nfs/dbraw/zinc/88/25/30/613882530.db2.gz	MNVACEHMRSVDNM-PWSUYJOCSA-N	-1	0	293.323	0.218	20	30		CCEDRM
C=CCOC[C@H](NC(=O)[C@H](C)Oc1cccnc1)C(=O)[O-]	ZINC000909771758	613882536	/nfs/dbraw/zinc/88/25/36/613882536.db2.gz	POZGUYRVLCKHSP-JQWIXIFHSA-N	-1	0	294.307	0.621	20	30		CCEDRM
C=CCOC[C@H](NC(=O)[C@@H]1C[C@@H](C)CO1)C(=O)[O-]	ZINC000909767405	613882579	/nfs/dbraw/zinc/88/25/79/613882579.db2.gz	NTALAGKMOLTGPF-UTLUCORTSA-N	-1	0	257.286	0.183	20	30		CCEDRM
C=CCOC[C@H](NC(=O)[C@](C)(O)CCC)C(=O)[O-]	ZINC000909767610	613882700	/nfs/dbraw/zinc/88/27/00/613882700.db2.gz	QAMBYDZVLCHMLJ-JOYOIKCWSA-N	-1	0	259.302	0.310	20	30		CCEDRM
C=CCO[N-]C(=O)[C@](C)(O)Cn1ccc(C)cc1=O	ZINC000837047497	613884597	/nfs/dbraw/zinc/88/45/97/613884597.db2.gz	BARIFKZDNZUWOP-CYBMUJFWSA-N	-1	0	266.297	0.142	20	30		CCEDRM
C=CCS(=O)(=O)[N-]C(=O)CCc1ccc(OC)nc1	ZINC000892882688	613886092	/nfs/dbraw/zinc/88/60/92/613886092.db2.gz	OXFIHNLGKLBOIO-UHFFFAOYSA-N	-1	0	284.337	0.655	20	30		CCEDRM
C=CCS(=O)(=O)[N-]C(=O)C(C)(C)COCC(F)F	ZINC000810644453	613886148	/nfs/dbraw/zinc/88/61/48/613886148.db2.gz	ZSROFTTVOBUUSB-UHFFFAOYSA-N	-1	0	285.312	0.926	20	30		CCEDRM
C=CCS(=O)(=O)[N-]C(=O)[C@H]1CCCN1C(=O)CCC	ZINC000132785586	613886198	/nfs/dbraw/zinc/88/61/98/613886198.db2.gz	JNALWUHBLJYPTB-SNVBAGLBSA-N	-1	0	288.369	0.410	20	30		CCEDRM
C=CCS(=O)(=O)[N-]C(=O)[C@H]1CC12CC(OCC)C2	ZINC000870256767	613886217	/nfs/dbraw/zinc/88/62/17/613886217.db2.gz	MPYLBPRFLYMSKY-SQLBVSGCSA-N	-1	0	273.354	0.824	20	30		CCEDRM
C=CCS(=O)(=O)[N-]C(=O)c1ccnn1CC1CCC1	ZINC000870256418	613886323	/nfs/dbraw/zinc/88/63/23/613886323.db2.gz	HFPMXJRUTBKAKJ-UHFFFAOYSA-N	-1	0	283.353	0.929	20	30		CCEDRM
C=CCS(=O)(=O)[N-]C(=O)c1ccc(C)c(C)n1	ZINC000842328119	613886351	/nfs/dbraw/zinc/88/63/51/613886351.db2.gz	OLLDBEJNIUWORQ-UHFFFAOYSA-N	-1	0	254.311	0.944	20	30		CCEDRM
CC(C)NC(=O)C(C#N)=C([O-])c1ccnc2c1nnn2C	ZINC000802041869	613933931	/nfs/dbraw/zinc/93/39/31/613933931.db2.gz	HQAQIUWJOGAKDU-SECBINFHSA-N	-1	0	286.295	0.210	20	30		CCEDRM
CC(C)NC(=O)C(C#N)=C([O-])c1nnc2ccccc2n1	ZINC000810533896	613934396	/nfs/dbraw/zinc/93/43/96/613934396.db2.gz	YXQFZVALCUVZAL-SECBINFHSA-N	-1	0	283.291	0.872	20	30		CCEDRM
CC(=O)N[C@@H]1CCCN(C(=O)[C@@](C)(C#N)CC(=O)[O-])C1	ZINC000819737585	613981652	/nfs/dbraw/zinc/98/16/52/613981652.db2.gz	XRPFETGNRWLICV-ZWNOBZJWSA-N	-1	0	281.312	0.118	20	30		CCEDRM
CC(C)S(=O)(=O)[N-]C(=O)CC1(C#N)CCOCC1	ZINC000850797734	614068627	/nfs/dbraw/zinc/06/86/27/614068627.db2.gz	QWSQAUDRSOJNJM-UHFFFAOYSA-N	-1	0	274.342	0.551	20	30		CCEDRM
CC(C)S(=O)(=O)NN=Cc1c[nH]c(C(=O)[O-])c1	ZINC000814825608	614069271	/nfs/dbraw/zinc/06/92/71/614069271.db2.gz	HADZAIOGAPGFHD-UHFFFAOYSA-N	-1	0	259.287	0.375	20	30		CCEDRM
CC(C)(CNC(=O)[O-])C(=O)NC1CCN(CC#N)CC1	ZINC000823955308	614102447	/nfs/dbraw/zinc/10/24/47/614102447.db2.gz	BGCALIARKCFBEP-UHFFFAOYSA-N	-1	0	282.344	0.384	20	30		CCEDRM
CC(C)(CO)O[N-]C(=O)CNC(=O)c1ccc(C#N)cc1	ZINC000857284901	614122985	/nfs/dbraw/zinc/12/29/85/614122985.db2.gz	KZENPAVOJLEMLR-UHFFFAOYSA-N	-1	0	291.307	0.107	20	30		CCEDRM
CC(C)(NC(=O)C#Cc1ccc2c(c1)OCO2)C(=O)[O-]	ZINC000826616488	614163767	/nfs/dbraw/zinc/16/37/67/614163767.db2.gz	JNSHUVUQDWGIIS-UHFFFAOYSA-N	-1	0	275.260	0.746	20	30		CCEDRM
CC(C)[C@H](C#N)NC(=O)[C@]1(F)CCN(C(=O)[O-])C1	ZINC000824058403	614187308	/nfs/dbraw/zinc/18/73/08/614187308.db2.gz	ZXNYONJFOKAFGJ-KWQFWETISA-N	-1	0	257.265	0.743	20	30		CCEDRM
CC(=O)Nc1cc(C(=O)N[C@H]2CCN(O)C2=O)ccc1F	ZINC000820184588	614198576	/nfs/dbraw/zinc/19/85/76/614198576.db2.gz	BLJJESIXRBIEPZ-JTQLQIEISA-N	-1	0	295.270	0.504	20	30		CCEDRM
CC(=O)c1cc(C(=O)[N-]S(=O)(=O)CCC#N)n(C)c1	ZINC000821582761	614247636	/nfs/dbraw/zinc/24/76/36/614247636.db2.gz	WWZXRURBEONXBX-UHFFFAOYSA-N	-1	0	283.309	0.201	20	30		CCEDRM
CC(C)[C@](C)(C#N)NC(=O)[C@H](C)OC(=O)[C@H](C)NC(=O)[O-]	ZINC000833532863	614286776	/nfs/dbraw/zinc/28/67/76/614286776.db2.gz	KPVRFGWPVUHQTP-RVBZMBCESA-N	-1	0	299.327	0.629	20	30		CCEDRM
CC(C)n1nnnc1COC(=O)[C@@](C)(C#N)CC(=O)[O-]	ZINC000820066918	614377932	/nfs/dbraw/zinc/37/79/32/614377932.db2.gz	SRSKUZKPCFMQCK-LLVKDONJSA-N	-1	0	281.272	0.302	20	30		CCEDRM
CC(C[C@H]1CCCN1C(=O)[O-])=NNS(C)(=O)=O	ZINC000824759854	614382413	/nfs/dbraw/zinc/38/24/13/614382413.db2.gz	QMBZYJYBRHLKJC-MRVPVSSYSA-N	-1	0	263.319	0.444	20	30		CCEDRM
CCC(C#N)(CC)C(=O)[N-]S(=O)(=O)C[C@@H]1CCOC1	ZINC000860631353	614470535	/nfs/dbraw/zinc/47/05/35/614470535.db2.gz	DGYZIUOKSDQQGR-SNVBAGLBSA-N	-1	0	288.369	0.799	20	30		CCEDRM
CCCN(CC(=O)N(C)C)C(=O)[C@@](C)(C#N)CC(=O)[O-]	ZINC000820317255	614554757	/nfs/dbraw/zinc/55/47/57/614554757.db2.gz	SYHAQIWCCIVFPU-CYBMUJFWSA-N	-1	0	283.328	0.318	20	30		CCEDRM
CCCOc1cccnc1C(=O)N[C@@H]1CCCN(O)C1=O	ZINC000848134267	614953854	/nfs/dbraw/zinc/95/38/54/614953854.db2.gz	QNNICOQJZNJVLD-SNVBAGLBSA-N	-1	0	293.323	0.980	20	30		CCEDRM
CCN(C[C@@H](C)C#N)C(=O)CN(C)[C@@H]1CCN(C(=O)[O-])C1	ZINC000827020507	615061594	/nfs/dbraw/zinc/06/15/94/615061594.db2.gz	VYCSTEIZSLHJPD-NWDGAFQWSA-N	-1	0	296.371	0.679	20	30		CCEDRM
CCN(C[C@H](C)C#N)C(=O)[C@@H]1CN(C(=O)[O-])CCO1	ZINC000827019800	615064816	/nfs/dbraw/zinc/06/48/16/615064816.db2.gz	DNCQBWBNFXTJIJ-ZJUUUORDSA-N	-1	0	269.301	0.373	20	30		CCEDRM
CCN1CCOC[C@@H]1C(=O)[N-]Oc1cccc(C#N)c1	ZINC000870691901	615165740	/nfs/dbraw/zinc/16/57/40/615165740.db2.gz	SWGQVGVNRJVEOE-CYBMUJFWSA-N	-1	0	275.308	0.689	20	30		CCEDRM
CCOC(=O)c1cnc(N=NC2CN(C(=O)[O-])C2)nc1C	ZINC000833861645	615188740	/nfs/dbraw/zinc/18/87/40/615188740.db2.gz	SVEBTQFHTTWHMM-UHFFFAOYSA-N	-1	0	293.283	0.723	20	30		CCEDRM
CCOC(=O)CN(CC)C(=O)[C@](C)(C#N)CC(=O)[O-]	ZINC000820364811	615189345	/nfs/dbraw/zinc/18/93/45/615189345.db2.gz	YBQCWHJIRIRSIY-LBPRGKRZSA-N	-1	0	270.285	0.403	20	30		CCEDRM
CCOC1CC2(C[C@H]2C(=O)N[C@H]2CCCN(O)C2=O)C1	ZINC000868562557	615225619	/nfs/dbraw/zinc/22/56/19/615225619.db2.gz	HNPQCVNMLHTYPD-JXJNQWLDSA-N	-1	0	282.340	0.688	20	30		CCEDRM
CCOCCO[N-]C(=O)C(=O)Nc1ccc(C#N)c(F)c1	ZINC000810388788	615287020	/nfs/dbraw/zinc/28/70/20/615287020.db2.gz	NWLDKGUGQCRTSM-UHFFFAOYSA-N	-1	0	295.270	0.720	20	30		CCEDRM
CCOCCO[C@H](C)C(=O)C(C#N)=C([O-])c1nccn1C	ZINC000122759756	615294703	/nfs/dbraw/zinc/29/47/03/615294703.db2.gz	BSJYGODIJMMVHR-GHMZBOCLSA-N	-1	0	293.323	0.753	20	30		CCEDRM
CCOc1ccc(C#N)cc1NCC(=O)NCC(=O)[O-]	ZINC000820386945	615508648	/nfs/dbraw/zinc/50/86/48/615508648.db2.gz	CBKVKDAVDYIAQJ-UHFFFAOYSA-N	-1	0	277.280	0.570	20	30		CCEDRM
CCOc1cccnc1C(=O)[N-]S(=O)(=O)CCC#N	ZINC000835408345	615519299	/nfs/dbraw/zinc/51/92/99/615519299.db2.gz	IDVUWKSSPQFJFW-UHFFFAOYSA-N	-1	0	283.309	0.454	20	30		CCEDRM
CC[C@@H](NN=Cc1cn(C2CCC2)nn1)C(=O)[O-]	ZINC000853348158	615536532	/nfs/dbraw/zinc/53/65/32/615536532.db2.gz	BMTDWGSGESEVIC-SNVBAGLBSA-N	-1	0	251.290	0.790	20	30		CCEDRM
CC[C@H](C#N)C(=O)N[C@H](c1nnn[n-]1)c1ccccc1	ZINC000846632218	615599887	/nfs/dbraw/zinc/59/98/87/615599887.db2.gz	KHQNZIIJQDGQEA-KOLCDFICSA-N	-1	0	270.296	0.955	20	30		CCEDRM
CCc1cc(C(=O)N2CCN(C(=O)[O-])C[C@@H]2C#N)[nH]n1	ZINC000827555909	615615296	/nfs/dbraw/zinc/61/52/96/615615296.db2.gz	AWOQDIWXZDUBLX-VIFPVBQESA-N	-1	0	277.284	0.300	20	30		CCEDRM
CCn1nc(C)c(C([O-])=C(C#N)C(=O)NC2CC2)n1	ZINC000815909104	615650772	/nfs/dbraw/zinc/65/07/72/615650772.db2.gz	QWZUMZYKWCXMSA-VIFPVBQESA-N	-1	0	261.285	0.208	20	30		CCEDRM
CC[C@H](C)[C@@](C)(O)CNC(=O)[C@@](C)(C#N)CC(=O)[O-]	ZINC000820266102	615688640	/nfs/dbraw/zinc/68/86/40/615688640.db2.gz	AGAIGLVSZTYLJI-BIMULSAOSA-N	-1	0	270.329	0.904	20	30		CCEDRM
CCn1ncc(C([O-])=C(C#N)C(=O)Nc2ccccn2)n1	ZINC000815915579	615694675	/nfs/dbraw/zinc/69/46/75/615694675.db2.gz	SOIUFUKIZSZLMJ-VIFPVBQESA-N	-1	0	284.279	0.654	20	30		CCEDRM
CC[C@H](CNS(=O)(=O)N(C)C[C@@H](C)C#N)C(=O)[O-]	ZINC000844785649	615726749	/nfs/dbraw/zinc/72/67/49/615726749.db2.gz	MXRRCBAPCXKGNP-DTWKUNHWSA-N	-1	0	277.346	0.023	20	30		CCEDRM
CCc1nc(C)c(C(=O)[N-]S(=O)(=O)CCCC#N)o1	ZINC000816005213	615733394	/nfs/dbraw/zinc/73/33/94/615733394.db2.gz	CZWNNRMMDUZSNQ-UHFFFAOYSA-N	-1	0	285.325	0.909	20	30		CCEDRM
CN(C(=O)[O-])[C@@H]1CCN(C(=O)c2ccc(C#N)cn2)C1	ZINC000827872208	615843953	/nfs/dbraw/zinc/84/39/53/615843953.db2.gz	XXQNPVZTQSJBDN-SNVBAGLBSA-N	-1	0	274.280	0.778	20	30		CCEDRM
CN(CC(=O)[N-]Oc1cccc(C#N)c1)C(=O)C1CC1	ZINC000870692388	616048416	/nfs/dbraw/zinc/04/84/16/616048416.db2.gz	CEJQQHYEZYMWCG-UHFFFAOYSA-N	-1	0	273.292	0.837	20	30		CCEDRM
CN(CCC#N)C(=O)C[C@H]1CSCCN1C(=O)[O-]	ZINC000828272457	616067604	/nfs/dbraw/zinc/06/76/04/616067604.db2.gz	CARQCPPFADWKCR-VIFPVBQESA-N	-1	0	271.342	0.844	20	30		CCEDRM
CN(Cc1cnccn1)C(=O)[C@](C)(C#N)CC(=O)[O-]	ZINC000820607590	616094385	/nfs/dbraw/zinc/09/43/85/616094385.db2.gz	JKXHHEAZTJPCKE-LBPRGKRZSA-N	-1	0	262.269	0.440	20	30		CCEDRM
CN(CCOC(=O)c1cc(C#N)cn1C)C(=O)[O-]	ZINC000828336683	616114327	/nfs/dbraw/zinc/11/43/27/616114327.db2.gz	GROZOJRQYWKFIU-UHFFFAOYSA-N	-1	0	251.242	0.663	20	30		CCEDRM
CN1C(=O)CC[C@H]1C(=O)[N-]Oc1cccc(C#N)c1	ZINC000870692225	616132566	/nfs/dbraw/zinc/13/25/66/616132566.db2.gz	YTZZLHNRIBFDCF-NSHDSACASA-N	-1	0	259.265	0.589	20	30		CCEDRM
COC(=O)CCCO[N-]C(=O)C1(C#N)CCOCC1	ZINC000811559551	616537266	/nfs/dbraw/zinc/53/72/66/616537266.db2.gz	FASHQAHWLTYWQU-UHFFFAOYSA-N	-1	0	270.285	0.308	20	30		CCEDRM
CNC(=O)C1(C(=O)[N-]Oc2cccc(C#N)c2)CC1	ZINC000870692853	616541266	/nfs/dbraw/zinc/54/12/66/616541266.db2.gz	PESILZLUTPJTLD-UHFFFAOYSA-N	-1	0	259.265	0.494	20	30		CCEDRM
COC(=O)[C@H](C)S(=O)(=O)[N-]C(=O)CCCCC#N	ZINC000847680656	616586941	/nfs/dbraw/zinc/58/69/41/616586941.db2.gz	NPCSATGJEIQRFW-QMMMGPOBSA-N	-1	0	276.314	0.078	20	30		CCEDRM
COC(=O)[C@H](CC(F)F)[N-]S(=O)(=O)CC(C)(C)C#N	ZINC000914306111	616592346	/nfs/dbraw/zinc/59/23/46/616592346.db2.gz	ZTSZFNCVDRFHFQ-ZETCQYMHSA-N	-1	0	298.311	0.652	20	30		CCEDRM
COC[C@H](C)S(=O)(=O)N1CCC(C#CC(=O)[O-])CC1	ZINC000844817000	616628632	/nfs/dbraw/zinc/62/86/32/616628632.db2.gz	NDUSUTQHFQHUPY-JTQLQIEISA-N	-1	0	289.353	0.151	20	30		CCEDRM
COC[C@H](NC(=O)[C@@]1(C#N)CC12CCCC2)C(=O)[O-]	ZINC000923077473	616710661	/nfs/dbraw/zinc/71/06/61/616710661.db2.gz	RORLSAATOBJWJE-ZANVPECISA-N	-1	0	266.297	0.676	20	30		CCEDRM
COC[C@@H](C)CC(=O)N1CCN(C(=O)[O-])C[C@@H]1C#N	ZINC000828897308	616783365	/nfs/dbraw/zinc/78/33/65/616783365.db2.gz	RMMQDCLKNCIWSN-UWVGGRQHSA-N	-1	0	269.301	0.373	20	30		CCEDRM
COC[C@](C)(C#N)NC(=O)C1CCN(C(=O)[O-])CC1	ZINC000828886408	616816541	/nfs/dbraw/zinc/81/65/41/616816541.db2.gz	VDACFPVIUZSFOD-LBPRGKRZSA-N	-1	0	269.301	0.421	20	30		CCEDRM
COC[C@](C)(C#N)NC(=O)[C@@H](CC(F)F)NC(=O)[O-]	ZINC000833883365	616816758	/nfs/dbraw/zinc/81/67/58/616816758.db2.gz	XONNEZIKLULJGG-LDWIPMOCSA-N	-1	0	279.243	0.323	20	30		CCEDRM
CNC(=O)C(C#N)=C([O-])c1cncc(OC(C)C)c1	ZINC000119589010	616839456	/nfs/dbraw/zinc/83/94/56/616839456.db2.gz	XXNWQOVRIRGLJD-LLVKDONJSA-N	-1	0	261.281	0.937	20	30		CCEDRM
COC(=O)c1cc(C=Nn2c(=O)[n-][nH]c2=O)oc1C	ZINC000814231366	616845072	/nfs/dbraw/zinc/84/50/72/616845072.db2.gz	DTKNUZHXHFAAMS-UHFFFAOYSA-N	-1	0	266.213	0.260	20	30		CCEDRM
COC(=O)c1ccc(C(=O)[N-]S(=O)(=O)CCC#N)cc1	ZINC000821583590	616883512	/nfs/dbraw/zinc/88/35/12/616883512.db2.gz	ARUFFTZKVPSMHO-UHFFFAOYSA-N	-1	0	296.304	0.446	20	30		CCEDRM
COCCCNC(=O)C(C#N)=C([O-])c1c[nH]cc1C	ZINC000916870774	616901878	/nfs/dbraw/zinc/90/18/78/616901878.db2.gz	LZOKMVCMMWLWAQ-SNVBAGLBSA-N	-1	0	263.297	0.798	20	30		CCEDRM
COC(=O)c1ccc(O)c(C=NN(C)C[C@@H](C)O)c1	ZINC000841655650	616918165	/nfs/dbraw/zinc/91/81/65/616918165.db2.gz	YCQXIDWGZIMXRV-SECBINFHSA-N	-1	0	266.297	0.825	20	30		CCEDRM
COCCN(CC(=O)Nc1cc(C#N)ccc1[O-])C(=O)[O-]	ZINC000828976747	616980335	/nfs/dbraw/zinc/98/03/35/616980335.db2.gz	ROPCJJAXCFFSRU-UHFFFAOYSA-N	-1	0	293.279	0.829	20	30		CCEDRM
COCCN(CCC(=O)[O-])c1nc(C)cc(C#N)n1	ZINC000900979646	616997017	/nfs/dbraw/zinc/99/70/17/616997017.db2.gz	MCXPREPVLROOLA-UHFFFAOYSA-N	-1	0	264.285	0.584	20	30		CCEDRM
COC[C@@](C)(C#N)NC(=O)C[C@H]1CCCN1C(=O)[O-]	ZINC000828885472	617011156	/nfs/dbraw/zinc/01/11/56/617011156.db2.gz	FYUNELFMHYVIRW-BXKDBHETSA-N	-1	0	269.301	0.564	20	30		CCEDRM
COC[C@@](C)(C#N)NC(=O)[C@@H](C)CN(C)C(=O)[O-]	ZINC000828885336	617011221	/nfs/dbraw/zinc/01/12/21/617011221.db2.gz	CBCORQSZJOBHRE-GZMMTYOYSA-N	-1	0	257.290	0.277	20	30		CCEDRM
COC[C@H](C#N)OC(=O)CN(CC1CC1)C(=O)[O-]	ZINC000833882566	617046663	/nfs/dbraw/zinc/04/66/63/617046663.db2.gz	OOXLLNKOFLXRCX-VIFPVBQESA-N	-1	0	256.258	0.458	20	30		CCEDRM
COC[C@H](C)CC(=O)N1CCN(C(=O)[O-])C[C@@H]1C#N	ZINC000828897310	617050070	/nfs/dbraw/zinc/05/00/70/617050070.db2.gz	RMMQDCLKNCIWSN-ZJUUUORDSA-N	-1	0	269.301	0.373	20	30		CCEDRM
CO[C@H](C)CS(=O)(=O)[N-]C(=O)CCCCC#N	ZINC000847694695	617075800	/nfs/dbraw/zinc/07/58/00/617075800.db2.gz	OGDXBOSWUNHJCL-SECBINFHSA-N	-1	0	262.331	0.551	20	30		CCEDRM
CO[C@H]1CCCC[C@H]1C(=O)[N-]S(=O)(=O)CCCC#N	ZINC000816005505	617095072	/nfs/dbraw/zinc/09/50/72/617095072.db2.gz	OPBSMUOMVHMVKN-MNOVXSKESA-N	-1	0	288.369	0.941	20	30		CCEDRM
CO[C@]1(C(=O)[O-])CCN(C(=O)[C@]2(C#N)CCCOC2)C1	ZINC000923097790	617130897	/nfs/dbraw/zinc/13/08/97/617130897.db2.gz	ALJGXSGYDYVTIY-QWHCGFSZSA-N	-1	0	282.296	0.009	20	30		CCEDRM
CO[C@@H](C)C(C)N=Nc1oc(C)nc1-c1nnn[n-]1	ZINC000821673966	617146684	/nfs/dbraw/zinc/14/66/84/617146684.db2.gz	PTAWIPDGTVFPFY-LURJTMIESA-N	-1	0	265.277	0.986	20	30		CCEDRM
COc1cc(C#N)ccc1OS(=O)(=O)C[C@H](C)C(=O)[O-]	ZINC000831861187	617153017	/nfs/dbraw/zinc/15/30/17/617153017.db2.gz	PIJRXVGHPFPRTQ-QMMMGPOBSA-N	-1	0	299.304	0.996	20	30		CCEDRM
COc1cc(C(=O)NC[C@](C)(O)C(=O)[O-])ccc1C#N	ZINC000851695012	617162626	/nfs/dbraw/zinc/16/26/26/617162626.db2.gz	XJBPOYVEHXQPNX-ZDUSSCGKSA-N	-1	0	278.264	0.132	20	30		CCEDRM
N#CCCCS(=O)(=O)[N-]C(=O)C[C@@H]1CCCCO1	ZINC000181289214	625369900	/nfs/dbraw/zinc/36/99/00/625369900.db2.gz	OKDKANFWPGGYRO-JTQLQIEISA-N	-1	0	274.342	0.695	20	30		CCEDRM
C#CCSCCNC(=O)N1CCC[C@H]1C(=O)[O-]	ZINC000227418711	622967790	/nfs/dbraw/zinc/96/77/90/622967790.db2.gz	JJAZIDJTXDXPFP-VIFPVBQESA-N	-1	0	256.327	0.611	20	30		CCEDRM
C=CCCO[C@H](C)C(=O)[N-]S(=O)(=O)Cc1ccon1	ZINC000177701006	623450225	/nfs/dbraw/zinc/45/02/25/623450225.db2.gz	ZCBIACFEPWDICZ-SECBINFHSA-N	-1	0	288.325	0.602	20	30		CCEDRM
C[C@@H]1CO[C@@H](C(=O)[N-]S(=O)(=O)CCCC#N)C1	ZINC000892925585	623865926	/nfs/dbraw/zinc/86/59/26/623865926.db2.gz	KMYQMPGHBIHABD-DTWKUNHWSA-N	-1	0	260.315	0.161	20	30		CCEDRM
N#Cc1ccc2c(c1)C[C@H](NC(=O)COCC(=O)[O-])C2	ZINC000902546493	634404067	/nfs/dbraw/zinc/40/40/67/634404067.db2.gz	VYXDUNNNSWEYBW-GFCCVEGCSA-N	-1	0	274.276	0.243	20	30		CCEDRM
N#Cc1ccccc1CS(=O)(=O)N1CC(C(=O)[O-])C1	ZINC000071173181	624798707	/nfs/dbraw/zinc/79/87/07/624798707.db2.gz	FKZHAHYJEONCFY-UHFFFAOYSA-N	-1	0	280.305	0.404	20	30		CCEDRM
N#CC[C@H](NC(=O)[C@H]1CC[C@@H](C(=O)[O-])O1)C(F)(F)F	ZINC000905129592	634804862	/nfs/dbraw/zinc/80/48/62/634804862.db2.gz	IEMBKLYSOWGZIN-VQVTYTSYSA-N	-1	0	280.202	0.579	20	30		CCEDRM
C[C@H]1C[C@@H]1C(=O)[N-]S(=O)(=O)c1cc(C(N)=O)n(C)c1	ZINC000048518739	631729154	/nfs/dbraw/zinc/72/91/54/631729154.db2.gz	VXPQZKUCVAGFJI-XPUUQOCRSA-N	-1	0	285.325	0.425	20	30		CCEDRM
C=CCCO[C@H](C)C(=O)N[C@](C)(COC)CC(=O)[O-]	ZINC000262058796	631834208	/nfs/dbraw/zinc/83/42/08/631834208.db2.gz	GTAPADIYAORASX-MFKMUULPSA-N	-1	0	273.329	0.964	20	30		CCEDRM
N#CC[C@H](NC(=O)[C@H]1C[C@H]1C(=O)[O-])C(F)(F)F	ZINC000899835887	633898602	/nfs/dbraw/zinc/89/86/02/633898602.db2.gz	PULWWCVRIBYTIQ-JKUQZMGJSA-N	-1	0	250.176	0.668	20	30		CCEDRM
Cc1noc(C)c1S(=O)(=O)[N-]C(=O)c1cnn(C)c1	ZINC000042292073	633922080	/nfs/dbraw/zinc/92/20/80/633922080.db2.gz	LBNOYTDDNFSPKR-UHFFFAOYSA-N	-1	0	284.297	0.718	20	30		CCEDRM
O=C1CN(N=Cc2c(Cl)n[nH]c2C2CC2)C(=O)N1	ZINC000901159151	634199655	/nfs/dbraw/zinc/19/96/55/634199655.db2.gz	NWPFPYJGEGQSHE-UHFFFAOYSA-N	-1	0	267.676	0.826	20	30		CCEDRM
C[C@@H]1CC[C@H](C(=O)[O-])N1C(=O)Cc1ccc(C#N)nc1	ZINC000901992657	634292942	/nfs/dbraw/zinc/29/29/42/634292942.db2.gz	LAFHDDFLVAMVPK-BXKDBHETSA-N	-1	0	273.292	0.960	20	30		CCEDRM
N#CCCc1ccc(S(=O)(=O)N2CC[C@H]2C(=O)[O-])cc1	ZINC000905991451	634945550	/nfs/dbraw/zinc/94/55/50/634945550.db2.gz	PUXVKRVYTPACHN-LBPRGKRZSA-N	-1	0	294.332	0.990	20	30		CCEDRM
N#C[C@]1(C(=O)N[C@H](CC(=O)[O-])C2CC2)CCCOC1	ZINC000907583678	635158943	/nfs/dbraw/zinc/15/89/43/635158943.db2.gz	CJZNTLSWWCYYQO-ZWNOBZJWSA-N	-1	0	266.297	0.676	20	30		CCEDRM
Cc1[nH]nc(C(=O)N2CCC(NCC#N)CC2)c1[O-]	ZINC000991110643	635296568	/nfs/dbraw/zinc/29/65/68/635296568.db2.gz	MVSLWZFMEXXDBA-UHFFFAOYSA-N	-1	0	263.301	0.142	20	30		CCEDRM
O=C([O-])C1(C(=O)NCC#CCO)CC2(CCC2)C1	ZINC000911401383	636254504	/nfs/dbraw/zinc/25/45/04/636254504.db2.gz	IEEBGEALMYVMMN-UHFFFAOYSA-N	-1	0	251.282	0.133	20	30		CCEDRM
C#C[C@@H]1CCCN(C(=O)c2ccnc3c(C(=O)[O-])cnn32)C1	ZINC000911410165	636258536	/nfs/dbraw/zinc/25/85/36/636258536.db2.gz	QARBKUACPANOQG-SNVBAGLBSA-N	-1	0	298.302	0.913	20	30		CCEDRM
C=CC[C@@H](CO)CNC(=O)C1(C(=O)[O-])CCOCC1	ZINC000911651289	636333430	/nfs/dbraw/zinc/33/34/30/636333430.db2.gz	PEKBULQVFCJGGD-SNVBAGLBSA-N	-1	0	271.313	0.169	20	30		CCEDRM
Cc1cc(C#N)cc(C)c1CC(=O)N(C)c1nnn[n-]1	ZINC000912618388	636613133	/nfs/dbraw/zinc/61/31/33/636613133.db2.gz	RZUOPBUZPDWEIF-UHFFFAOYSA-N	-1	0	270.296	0.894	20	30		CCEDRM
C[C@@H](CO)N(C)N=Cc1ccccc1OCC(=O)[O-]	ZINC000842544933	637343492	/nfs/dbraw/zinc/34/34/92/637343492.db2.gz	MCTFSOLFKXBGSG-JTQLQIEISA-N	-1	0	266.297	0.797	20	30		CCEDRM
C=C[C@@](C)(O)CC(=O)N1CCC(c2nnn[n-]2)CC1	ZINC000913744865	637427078	/nfs/dbraw/zinc/42/70/78/637427078.db2.gz	HZOXDGXMHOLKNA-GFCCVEGCSA-N	-1	0	265.317	0.233	20	30		CCEDRM
N#Cc1c[n-]c(=O)n(C[C@H]2CC[C@@H](C(F)(F)F)O2)c1=O	ZINC000917859045	637991564	/nfs/dbraw/zinc/99/15/64/637991564.db2.gz	MGFLKSMFGRFJTI-SFYZADRCSA-N	-1	0	289.213	0.518	20	30		CCEDRM
Cc1nnc(NN=Cc2cn3ccccc3n2)[n-]c1=O	ZINC000918709773	638037746	/nfs/dbraw/zinc/03/77/46/638037746.db2.gz	VRSVCPUWLDVPNR-UHFFFAOYSA-N	-1	0	269.268	0.979	20	30		CCEDRM
Cc1ccc(C(=O)[N-]S(=O)(=O)CCCC#N)n1C	ZINC000181271293	638328034	/nfs/dbraw/zinc/32/80/34/638328034.db2.gz	RYYDUCXEFAHWLJ-UHFFFAOYSA-N	-1	0	269.326	0.697	20	30		CCEDRM
CCO[C@@H]1C[C@H]1C(=O)[N-]S(=O)(=O)c1cnn(C)c1	ZINC000069642999	638398438	/nfs/dbraw/zinc/39/84/38/638398438.db2.gz	WSGFQGDEVHAIAU-RKDXNWHRSA-N	-1	0	273.314	0.490	20	30		CCEDRM
N#C[C@]1(C(=O)N2CCC[C@@H](C(=O)[O-])C2)CCCOC1	ZINC000923042044	640007338	/nfs/dbraw/zinc/00/73/38/640007338.db2.gz	OMYCUMHJEOHJTL-ZWNOBZJWSA-N	-1	0	266.297	0.630	20	30		CCEDRM
C[C@@H]1CN(C(=O)[C@@]2(C#N)CCCOC2)C[C@H](C(=O)[O-])O1	ZINC000923086167	640018338	/nfs/dbraw/zinc/01/83/38/640018338.db2.gz	KLTZFCHUAADPKK-GIPNMCIBSA-N	-1	0	282.296	0.007	20	30		CCEDRM
N#C[C@]1(C(=O)N[C@@H]2CC=C(C(=O)[O-])C2)CCCOC1	ZINC000923098123	640021054	/nfs/dbraw/zinc/02/10/54/640021054.db2.gz	GETHRTMJIYGHDU-ZWNOBZJWSA-N	-1	0	264.281	0.596	20	30		CCEDRM
CC1CC(C#N)(C(=O)N2CC([C@H](F)C(=O)[O-])C2)C1	ZINC000923100427	640021944	/nfs/dbraw/zinc/02/19/44/640021944.db2.gz	DUEJLLWWCDRVJC-AZOHRERUSA-N	-1	0	254.261	0.807	20	30		CCEDRM
N#Cc1cc(F)c(C(=O)[N-]N2CC(=O)NC2=O)c(F)c1	ZINC000755669961	640331518	/nfs/dbraw/zinc/33/15/18/640331518.db2.gz	DRGQBNCNWHFFCS-UHFFFAOYSA-N	-1	0	280.190	0.033	20	30		CCEDRM
N#Cc1c[n-]n2c1nc(COC(=O)COC(F)F)cc2=O	ZINC000803729060	640745782	/nfs/dbraw/zinc/74/57/82/640745782.db2.gz	JTIKCIMTBHZINT-UHFFFAOYSA-N	-1	0	298.205	0.589	20	30		CCEDRM
C[C@@H](C#N)OCCN1CCC[C@H](c2n[nH]c(=O)[n-]2)C1	ZINC000808777426	640878524	/nfs/dbraw/zinc/87/85/24/640878524.db2.gz	NCTSYMITMKRLKQ-UWVGGRQHSA-N	-1	0	265.317	0.618	20	30		CCEDRM
N#Cc1cccc(C(=O)[N-]S(=O)(=O)CC2(C#N)CC2)n1	ZINC000810668807	640943923	/nfs/dbraw/zinc/94/39/23/640943923.db2.gz	BHKVCLCGZFVKEE-UHFFFAOYSA-N	-1	0	290.304	0.317	20	30		CCEDRM
N#Cc1cccc(C(=O)[N-]S(=O)(=O)[C@H]2CCCOC2)n1	ZINC000810662823	640943953	/nfs/dbraw/zinc/94/39/53/640943953.db2.gz	QSTBECVGNRYBCZ-JTQLQIEISA-N	-1	0	295.320	0.192	20	30		CCEDRM
Cc1cccc(CNC(=O)C(C#N)=C([O-])c2ncn(C)n2)c1	ZINC000810708692	640946979	/nfs/dbraw/zinc/94/69/79/640946979.db2.gz	WHKVPGAWTWGAKN-GFCCVEGCSA-N	-1	0	297.318	0.762	20	30		CCEDRM
CC#CCS(=O)(=O)[N-]C(=O)C1Cc2ccccc2C1	ZINC000810772738	640948550	/nfs/dbraw/zinc/94/85/50/640948550.db2.gz	CMJPLIWPKCIEHS-UHFFFAOYSA-N	-1	0	277.345	0.871	20	30		CCEDRM
N#Cc1cncc(S(=O)(=O)[N-]C(=O)C2=COCCC2)c1	ZINC000813982958	641052286	/nfs/dbraw/zinc/05/22/86/641052286.db2.gz	ASTQIPBRFDRBNH-UHFFFAOYSA-N	-1	0	293.304	0.452	20	30		CCEDRM
O=c1[n-][nH]c(=O)n1N=Cc1cn(-c2ccccc2)nn1	ZINC000814231931	641062239	/nfs/dbraw/zinc/06/22/39/641062239.db2.gz	RFZHVJNIGBFVTR-UHFFFAOYSA-N	-1	0	271.240	0.152	20	30		CCEDRM
O=c1[n-][nH]c(=O)n1N=Cc1cnc([C@@H]2CCCO2)s1	ZINC000814232199	641062242	/nfs/dbraw/zinc/06/22/42/641062242.db2.gz	XTUWGFIIXXLNIS-ZETCQYMHSA-N	-1	0	281.297	0.880	20	30		CCEDRM
COc1nccnc1N=NCc1c[nH]c(C(=O)[O-])c1	ZINC000814905746	641082055	/nfs/dbraw/zinc/08/20/55/641082055.db2.gz	QOYACZQVQFNBAM-UHFFFAOYSA-N	-1	0	261.241	0.958	20	30		CCEDRM
Cc1cc(C#N)cnc1C(=O)[N-]S(=O)(=O)CCCF	ZINC000815968708	641133259	/nfs/dbraw/zinc/13/32/59/641133259.db2.gz	QVIBXLMUTTUPQM-UHFFFAOYSA-N	-1	0	285.300	0.681	20	30		CCEDRM
CO[C@H]1CCC[C@@H](C(=O)[N-]S(=O)(=O)CCCC#N)C1	ZINC000816005572	641136390	/nfs/dbraw/zinc/13/63/90/641136390.db2.gz	RPUXIRHBSSXPJX-MNOVXSKESA-N	-1	0	288.369	0.941	20	30		CCEDRM
Cc1onc(N)c1S(=O)(=O)[N-]C(=O)CC1(C#N)CC1	ZINC000816069751	641139278	/nfs/dbraw/zinc/13/92/78/641139278.db2.gz	VHQRMAHHUHYFHC-UHFFFAOYSA-N	-1	0	284.297	0.064	20	30		CCEDRM
O=C(N[C@@H]1CCN(O)C1=O)c1n[n-]c2ccccc2c1=O	ZINC000816691825	641193223	/nfs/dbraw/zinc/19/32/23/641193223.db2.gz	ABDJFWGNJJYIBX-SECBINFHSA-N	-1	0	288.263	0.055	20	30		CCEDRM
O=C(N[C@H]1CCCN(O)C1=O)c1cccc([N+](=O)[O-])c1[O-]	ZINC000816758111	641214272	/nfs/dbraw/zinc/21/42/72/641214272.db2.gz	IOVUIJLDNLRNBO-QMMMGPOBSA-N	-1	0	295.251	0.410	20	30		CCEDRM
N#CC1(CS(=O)(=O)[N-]C(=O)/C=C\[C@@H]2CCCO2)CCC1	ZINC000820658727	641523194	/nfs/dbraw/zinc/52/31/94/641523194.db2.gz	APVQDYXGLANYJB-WYGGZMRJSA-N	-1	0	298.364	0.861	20	30		CCEDRM
N#CCCS(=O)(=O)[N-]C(=O)c1cccc(CC#N)c1	ZINC000821582254	641610641	/nfs/dbraw/zinc/61/06/41/641610641.db2.gz	IGDYFNQJBRSGMS-UHFFFAOYSA-N	-1	0	277.305	0.726	20	30		CCEDRM
Cc1ncc(C(=O)[N-]S(=O)(=O)CCC#N)s1	ZINC000821584112	641611443	/nfs/dbraw/zinc/61/14/43/641611443.db2.gz	ROQANBFJYCRYOH-UHFFFAOYSA-N	-1	0	259.312	0.425	20	30		CCEDRM
C[C@H](CC(=O)[O-])C(=O)OCC(=O)N[C@](C)(C#N)C1CC1	ZINC000827334609	641998996	/nfs/dbraw/zinc/99/89/96/641998996.db2.gz	TZVGHFVOFKFBCX-AMIZOPFISA-N	-1	0	282.296	0.449	20	30		CCEDRM
CC#CCS(=O)(=O)[N-]C(=O)c1cnc(C2CC2)nc1	ZINC000835371505	642659270	/nfs/dbraw/zinc/65/92/70/642659270.db2.gz	JZEGLMZAIMDNMR-UHFFFAOYSA-N	-1	0	279.321	0.437	20	30		CCEDRM
Cc1nn(C)c(Cl)c1Cn1c(=O)[n-]cc(C#N)c1=O	ZINC000842614733	642917307	/nfs/dbraw/zinc/91/73/07/642917307.db2.gz	CSSGGOQSCWDTKZ-UHFFFAOYSA-N	-1	0	279.687	0.152	20	30		CCEDRM
C#CCN1C[C@H]2CC[C@@H](C1)N2C(=O)c1n[nH]c(C)c1[O-]	ZINC001017481713	650804863	/nfs/dbraw/zinc/80/48/63/650804863.db2.gz	FKYWZJFDTPXFSC-PHIMTYICSA-N	-1	0	274.324	0.346	20	30		CCEDRM
C[C@H](C#N)CN(C)S(=O)(=O)N[C@H](CC(=O)[O-])C1CC1	ZINC000844789154	643248527	/nfs/dbraw/zinc/24/85/27/643248527.db2.gz	IVWJQABBPVJKJQ-PSASIEDQSA-N	-1	0	289.357	0.166	20	30		CCEDRM
C[C@@H](CCNS(=O)(=O)N(C)[C@@H](C)CC#N)C(=O)[O-]	ZINC000844785786	643248852	/nfs/dbraw/zinc/24/88/52/643248852.db2.gz	NDWXUKGAMBNMML-IUCAKERBSA-N	-1	0	277.346	0.166	20	30		CCEDRM
O=C([O-])C#CC1CCN(S(=O)(=O)N2CCCC2)CC1	ZINC000844819983	643250883	/nfs/dbraw/zinc/25/08/83/643250883.db2.gz	ASZQXKCPQGTIKG-UHFFFAOYSA-N	-1	0	286.353	0.127	20	30		CCEDRM
C[C@H](CC(=O)[N-]S(=O)(=O)CC1(C#N)CC1)n1ccnc1	ZINC000845510552	643324716	/nfs/dbraw/zinc/32/47/16/643324716.db2.gz	HWGRWSVLFPBOCI-SNVBAGLBSA-N	-1	0	296.352	0.584	20	30		CCEDRM
N#CC(C(=O)NC1CCCC1)=C([O-])c1ccn2nnnc2c1	ZINC000850767688	643812327	/nfs/dbraw/zinc/81/23/27/643812327.db2.gz	FTRPNHCSHKLXRQ-NSHDSACASA-N	-1	0	298.306	0.506	20	30		CCEDRM
N#CCCS(=O)(=O)[N-]C(=O)Cn1cc(C2CC2)cn1	ZINC000851015224	643826264	/nfs/dbraw/zinc/82/62/64/643826264.db2.gz	AJOVXVVBXCFSEA-UHFFFAOYSA-N	-1	0	282.325	0.120	20	30		CCEDRM
Cc1c(S(=O)(=O)[N-]C(=O)[C@H](C)CC#N)cnn1C	ZINC000851040210	643828900	/nfs/dbraw/zinc/82/89/00/643828900.db2.gz	GTROLBIOZNMOPY-SSDOTTSWSA-N	-1	0	270.314	0.083	20	30		CCEDRM
C[C@@H](CC#N)N(C)S(=O)(=O)N[C@H]1CC=C(C(=O)[O-])C1	ZINC000853070023	644072098	/nfs/dbraw/zinc/07/20/98/644072098.db2.gz	UNGCZKGKDIMGLM-WPRPVWTQSA-N	-1	0	287.341	0.228	20	30		CCEDRM
N#CC1(CS(=O)(=O)[N-]C(=O)Cc2cscn2)CC1	ZINC000853115474	644076630	/nfs/dbraw/zinc/07/66/30/644076630.db2.gz	JWROVWSTHYQFOR-UHFFFAOYSA-N	-1	0	285.350	0.435	20	30		CCEDRM
N#C[C@H](CO)[N-]C(=O)C(F)(F)c1ccc([N+](=O)[O-])cc1	ZINC000854871526	644268964	/nfs/dbraw/zinc/26/89/64/644268964.db2.gz	YMNOLITUGNWEEN-MRVPVSSYSA-N	-1	0	285.206	0.687	20	30		CCEDRM
CC#CCS(=O)(=O)[N-]C(=O)c1cnc2n1CCCCC2	ZINC000857022574	644455290	/nfs/dbraw/zinc/45/52/90/644455290.db2.gz	FASZQIIJIONOJU-UHFFFAOYSA-N	-1	0	295.364	0.692	20	30		CCEDRM
N#Cc1ccc([O-])c(NC(=O)[C@H]2CC[C@@H](C(N)=O)O2)c1	ZINC000860445312	644802347	/nfs/dbraw/zinc/80/23/47/644802347.db2.gz	PZLVCZKSUZNZRL-WDEREUQCSA-N	-1	0	275.264	0.235	20	30		CCEDRM
C[C@H]1O[C@@H](C)[C@H](C)[C@H]1C(=O)[N-]S(=O)(=O)CCC#N	ZINC000860753494	644826418	/nfs/dbraw/zinc/82/64/18/644826418.db2.gz	YEKBZFJFWUTOQB-AXTSPUMRSA-N	-1	0	274.342	0.406	20	30		CCEDRM
Cc1ncc(CO)c(C=NNCC(C)(C)O)c1O	ZINC000863140359	645063919	/nfs/dbraw/zinc/06/39/19/645063919.db2.gz	HWBPBPZVHCJOTI-UHFFFAOYSA-N	-1	0	253.302	0.282	20	30		CCEDRM
N#Cc1ccc(S(=O)(=O)[N-]N2CCCC2=O)c(F)c1	ZINC000867593726	645636122	/nfs/dbraw/zinc/63/61/22/645636122.db2.gz	BVMXEARXIZSVQI-UHFFFAOYSA-N	-1	0	283.284	0.513	20	30		CCEDRM
Cc1cccc(C#N)c1S(=O)(=O)N(C)[C@@H](C)C(=O)[O-]	ZINC000871636573	646161207	/nfs/dbraw/zinc/16/12/07/646161207.db2.gz	MRXNFNHFIIQBRU-VIFPVBQESA-N	-1	0	282.321	0.960	20	30		CCEDRM
N#Cc1c[n-]c(=O)n(C[C@H]2CC3(CCC3)CO2)c1=O	ZINC000871675749	646167495	/nfs/dbraw/zinc/16/74/95/646167495.db2.gz	XWKCEWCRRYWAIY-SNVBAGLBSA-N	-1	0	261.281	0.367	20	30		CCEDRM
N#Cc1c[n-]c(=O)n(C[C@H]2CCC3(CCOCC3)O2)c1=O	ZINC000882178199	647379522	/nfs/dbraw/zinc/37/95/22/647379522.db2.gz	DGUHTYJFCRTDSQ-LLVKDONJSA-N	-1	0	291.307	0.136	20	30		CCEDRM
C#CCCCC(=O)[N-]S(=O)(=O)CCCCOC	ZINC000191418308	649475856	/nfs/dbraw/zinc/47/58/56/649475856.db2.gz	YZLWDJGBGHEQMM-UHFFFAOYSA-N	-1	0	261.343	0.663	20	30		CCEDRM
C=CCN(CC(=O)[O-])C(=O)[C@H](C)NC(=O)c1ccccc1	ZINC000092462271	649723820	/nfs/dbraw/zinc/72/38/20/649723820.db2.gz	NDLKRPITRXSQGM-NSHDSACASA-N	-1	0	290.319	0.904	20	30		CCEDRM
C#CCN(CC(=O)[O-])S(=O)(=O)c1ccc(C)cc1	ZINC000092480040	649724185	/nfs/dbraw/zinc/72/41/85/649724185.db2.gz	QKQZQOZZCIHUDI-UHFFFAOYSA-N	-1	0	267.306	0.704	20	30		CCEDRM
CC(C)(C#N)CNS(=O)(=O)c1scnc1C(=O)[O-]	ZINC000122205374	958474329	/nfs/dbraw/zinc/47/43/29/958474329.db2.gz	ORFARLBIIOCAOK-UHFFFAOYSA-N	-1	0	289.338	0.669	20	30		CCEDRM
C#C[C@@H](C)NS(=O)(=O)c1scnc1C(=O)[O-]	ZINC000166342830	959305160	/nfs/dbraw/zinc/30/51/60/959305160.db2.gz	UVDOZPWLLKEFBC-RXMQYKEDSA-N	-1	0	260.296	0.141	20	30		CCEDRM
CCOC(=O)C[C@@H](CC#N)Oc1ncc(C(=O)OC)[n-]1	ZINC001230280228	805591566	/nfs/dbraw/zinc/59/15/66/805591566.db2.gz	OXOXLTRXJAKZIF-MRVPVSSYSA-N	-1	0	281.268	0.811	20	30		CCEDRM
COC(=O)c1cnc(O[C@@H]2CCN(CC#N)C2)[n-]1	ZINC001230281765	805592539	/nfs/dbraw/zinc/59/25/39/805592539.db2.gz	GVIFILXSWKRJQS-MRVPVSSYSA-N	-1	0	250.258	0.173	20	30		CCEDRM
N#CCSCC(=O)N[C@H](CC(F)F)C(=O)[O-]	ZINC000309205413	963331646	/nfs/dbraw/zinc/33/16/46/963331646.db2.gz	PRSBQOPADOEIRE-RXMQYKEDSA-N	-1	0	252.242	0.468	20	30		CCEDRM
N#Cc1nc(N[C@@H]2CO[N-]C2=O)ccc1Br	ZINC001167519142	791506374	/nfs/dbraw/zinc/50/63/74/791506374.db2.gz	FZQXONMMQRAXIV-SSDOTTSWSA-N	-1	0	283.085	0.558	20	30		CCEDRM
N#CCC(=O)c1ccccc1OC(=O)[C@H](O)CCC(=O)[O-]	ZINC001233524536	806076274	/nfs/dbraw/zinc/07/62/74/806076274.db2.gz	OTGQIOTXADXOFJ-LLVKDONJSA-N	-1	0	291.259	0.914	20	30		CCEDRM
C=CCCO[N-]C(=O)[C@H]1CC(c2cnn(C)c2)=NO1	ZINC001120756870	798930107	/nfs/dbraw/zinc/93/01/07/798930107.db2.gz	PECCYHSFUUJQCO-LLVKDONJSA-N	-1	0	264.285	0.537	20	30		CCEDRM
CCOCCCCNc1[n-]c(=O)n(C)c(=O)c1C#N	ZINC001120803835	798940656	/nfs/dbraw/zinc/94/06/56/798940656.db2.gz	HZACAENDWAHNHL-UHFFFAOYSA-N	-1	0	266.301	0.174	20	30		CCEDRM
CC/C(C)=C/C(=O)N1CC(n2cc(C#N)c(=O)[n-]c2=O)C1	ZINC001120832522	798945755	/nfs/dbraw/zinc/94/57/55/798945755.db2.gz	KTMPVBKWZPLCBS-RUDMXATFSA-N	-1	0	288.307	0.560	20	30		CCEDRM
CCCN(CC1CC1)c1[n-]c(=O)n(C)c(=O)c1C#N	ZINC001120907134	798960049	/nfs/dbraw/zinc/96/00/49/798960049.db2.gz	BZFNCNUMWXBMMJ-UHFFFAOYSA-N	-1	0	262.313	0.572	20	30		CCEDRM
C#C[C@H]1COCCN1C(=O)NC[C@H](CC)C(=O)[O-]	ZINC001121836850	799075725	/nfs/dbraw/zinc/07/57/25/799075725.db2.gz	YJPYIAQJWTXGRQ-UWVGGRQHSA-N	-1	0	254.286	0.141	20	30		CCEDRM
C[C@@H]1CCCC[C@@H]1OCC(=O)[N-]S(=O)(=O)CCC#N	ZINC000835412971	799926794	/nfs/dbraw/zinc/92/67/94/799926794.db2.gz	XLUJDWUFNOYPPJ-MNOVXSKESA-N	-1	0	288.369	0.941	20	30		CCEDRM
C#CCN1CCC[C@H]1C(=O)N(Cc1nnn[n-]1)CC(C)C	ZINC001153811927	800671817	/nfs/dbraw/zinc/67/18/17/800671817.db2.gz	QHGVXZKGDSEACQ-LBPRGKRZSA-N	-1	0	290.371	0.282	20	30		CCEDRM
N#Cc1n[nH]cc1NC(=O)c1c[n-]c2cccnc2c1=O	ZINC001153852219	800677243	/nfs/dbraw/zinc/67/72/43/800677243.db2.gz	ZNLCAOIKMILCMN-UHFFFAOYSA-N	-1	0	280.247	0.770	20	30		CCEDRM
N#C[C@@H]1CN(C(=O)c2c[n-]c3cccnc3c2=O)CCO1	ZINC001153855499	800679279	/nfs/dbraw/zinc/67/92/79/800679279.db2.gz	DPUBFMRDQSSLKZ-SECBINFHSA-N	-1	0	284.275	0.288	20	30		CCEDRM
N#Cc1cncc(NC(=N)SCCS(=O)(=O)[O-])n1	ZINC001157322199	801353113	/nfs/dbraw/zinc/35/31/13/801353113.db2.gz	VAUXILAKZSDPCN-UHFFFAOYSA-N	-1	0	287.326	0.316	20	30		CCEDRM
C=CCO[N-]C(=O)[C@H](C)S(=O)(=O)C1CCOCC1	ZINC001158208269	801595411	/nfs/dbraw/zinc/59/54/11/801595411.db2.gz	DHGIPDSDCBVMEY-VIFPVBQESA-N	-1	0	277.342	0.203	20	30		CCEDRM
C#C[C@@H](CO)NC(=O)c1ccc2[n-]c(=S)oc2c1	ZINC001159762798	801865681	/nfs/dbraw/zinc/86/56/81/801865681.db2.gz	QACLNQZBGJAPQI-QMMMGPOBSA-N	-1	0	262.290	0.840	20	30		CCEDRM
C=CCS(=O)(=O)[N-]c1c(C#N)cnn1-c1ncccn1	ZINC001259922525	808804213	/nfs/dbraw/zinc/80/42/13/808804213.db2.gz	AVLWIVOFNOXQKA-UHFFFAOYSA-N	-1	0	290.308	0.462	20	30		CCEDRM
COCCS(=O)(=O)[N-]c1ncc(C)cc1C#N	ZINC001259966211	808829663	/nfs/dbraw/zinc/82/96/63/808829663.db2.gz	QJGHKVTZBDWJOO-UHFFFAOYSA-N	-1	0	255.299	0.650	20	30		CCEDRM
N#Cc1cn(CC(=O)NCCCC2CC2)c(=O)[n-]c1=O	ZINC001163683938	802594381	/nfs/dbraw/zinc/59/43/81/802594381.db2.gz	NZQIMHYXHWGPEO-UHFFFAOYSA-N	-1	0	276.296	0.127	20	30		CCEDRM
N#Cc1ccc(C(=O)COC(=O)[C@H](O)CC(=O)[O-])cc1	ZINC001206491876	803253703	/nfs/dbraw/zinc/25/37/03/803253703.db2.gz	LUHSWLZUHFYHAG-SNVBAGLBSA-N	-1	0	277.232	0.120	20	30		CCEDRM
C=C(C)COCCNS(=O)(=O)[C@@H]1CC[C@@H]1C(=O)[O-]	ZINC001465113745	804135005	/nfs/dbraw/zinc/13/50/05/804135005.db2.gz	YTRMMYSJRMAEES-VHSXEESVSA-N	-1	0	277.342	0.362	20	30		CCEDRM
C=CCC[C@@H](NS(=O)(=O)CCOCC)C(=O)[O-]	ZINC000316265523	804684139	/nfs/dbraw/zinc/68/41/39/804684139.db2.gz	GKRHXVJMYWIMAE-SECBINFHSA-N	-1	0	265.331	0.362	20	30		CCEDRM
CCOC(=O)C[C@@H](CC#N)OCCCS(=O)(=O)[O-]	ZINC001224892643	805088830	/nfs/dbraw/zinc/08/88/30/805088830.db2.gz	CRFQMIGIFJRLLM-SECBINFHSA-N	-1	0	279.314	0.516	20	30		CCEDRM
CC[C@H]1OC(C)=C(Oc2nc(C(=O)OC)cc(=O)[n-]2)C1=O	ZINC001225729655	805155683	/nfs/dbraw/zinc/15/56/83/805155683.db2.gz	CDLRXOYCTWWWIP-MRVPVSSYSA-N	-1	0	294.263	0.957	20	30		CCEDRM
C=C[C@H](C#CC(C)(C)C)Oc1c([O-])c(=O)c(=O)c1=O	ZINC001225830457	805166920	/nfs/dbraw/zinc/16/69/20/805166920.db2.gz	JJKYHNFKHWZXQP-MRVPVSSYSA-N	-1	0	262.261	0.331	20	30		CCEDRM
Cc1cc(=O)[n-]c(OC2CCS(=O)(=O)CC2)c1C#N	ZINC001226221278	805207486	/nfs/dbraw/zinc/20/74/86/805207486.db2.gz	KMMLLMMMRYNYEO-UHFFFAOYSA-N	-1	0	282.321	0.923	20	30		CCEDRM
C#C[C@@H](Oc1[n-]c(=O)nc2nccnc21)C(=O)OCC	ZINC001226988952	805303620	/nfs/dbraw/zinc/30/36/20/805303620.db2.gz	CPDZXWOGMLMXOT-SSDOTTSWSA-N	-1	0	274.236	0.069	20	30		CCEDRM
C=CCOC[C@@H](CS(=O)(=O)[O-])OCC(=O)OCC	ZINC001204708580	815074554	/nfs/dbraw/zinc/07/45/54/815074554.db2.gz	LPZZUCAFEHNENV-VIFPVBQESA-N	-1	0	282.314	0.025	20	30		CCEDRM
CCOC(=O)C[C@@H](CC#N)Oc1nc(OC)cc(=O)[n-]1	ZINC001228921502	805488838	/nfs/dbraw/zinc/48/88/38/805488838.db2.gz	NYLSAKKTHRFYSJ-MRVPVSSYSA-N	-1	0	281.268	0.805	20	30		CCEDRM
CN1CC[C@@]2(CCN(C(=O)c3ccc([O-])c(C#N)c3)C2)C1=O	ZINC001272219236	815115934	/nfs/dbraw/zinc/11/59/34/815115934.db2.gz	LDOVSZKMHOHYJW-INIZCTEOSA-N	-1	0	299.330	0.958	20	30		CCEDRM
N#Cc1cccc(-c2noc(Cn3nn[n-]c3=S)n2)c1	ZINC001247236592	807458681	/nfs/dbraw/zinc/45/86/81/807458681.db2.gz	PVVVLQQYTSNTTK-UHFFFAOYSA-N	-1	0	285.292	0.932	20	30		CCEDRM
C#CCOc1cccc(OCc2cn(CC(=O)[O-])nn2)c1	ZINC001254094485	808180172	/nfs/dbraw/zinc/18/01/72/808180172.db2.gz	WMHOMSNBICVKQE-UHFFFAOYSA-N	-1	0	287.275	0.954	20	30		CCEDRM
N#CC1(C(=O)[N-]OC[C@@H]2CCOC2)CCOCC1	ZINC001255632144	808415437	/nfs/dbraw/zinc/41/54/37/808415437.db2.gz	GEYCVKJVTPYIIY-SNVBAGLBSA-N	-1	0	254.286	0.391	20	30		CCEDRM
C=CC[C@H](NC(=O)[C@@H]1C[C@H]1c1cnn(C)c1)C(=O)[O-]	ZINC001256560763	808533509	/nfs/dbraw/zinc/53/35/09/808533509.db2.gz	UEAQSBPVNNZRNZ-AXFHLTTASA-N	-1	0	263.297	0.669	20	30		CCEDRM
N#Cc1ccc(S(=O)(=O)N[C@@H]2SC(=O)[N-]C2=O)cc1	ZINC001258142786	808658585	/nfs/dbraw/zinc/65/85/85/808658585.db2.gz	BLYAOYGCCYSMCE-SECBINFHSA-N	-1	0	297.317	0.146	20	30		CCEDRM
Cc1nn(C)c(C)c1S(=O)(=O)[N-]c1cnc(C#N)cn1	ZINC001260104844	808851987	/nfs/dbraw/zinc/85/19/87/808851987.db2.gz	RVRSUZIFBJIQLU-UHFFFAOYSA-N	-1	0	292.324	0.499	20	30		CCEDRM
C[C@@H](C#N)N(C)S(=O)(=O)c1ccc(C(=O)[O-])cc1	ZINC001260226377	808857138	/nfs/dbraw/zinc/85/71/38/808857138.db2.gz	JUNLTXYXKYXEMM-QMMMGPOBSA-N	-1	0	268.294	0.917	20	30		CCEDRM
C#Cc1ccccc1[N-]S(=O)(=O)CS(C)(=O)=O	ZINC001260593127	808871843	/nfs/dbraw/zinc/87/18/43/808871843.db2.gz	XRPRCEGLYVPFGS-UHFFFAOYSA-N	-1	0	273.335	0.412	20	30		CCEDRM
Cc1nc(C#N)ccc1[N-]S(=O)(=O)c1cn[nH]c1	ZINC001260954280	808887424	/nfs/dbraw/zinc/88/74/24/808887424.db2.gz	IMHGPOADBDDSEG-UHFFFAOYSA-N	-1	0	263.282	0.786	20	30		CCEDRM
C=CCO[C@@H]1CCN(C(=O)c2c[n-]n3c2nccc3=O)C1	ZINC001261772037	809083436	/nfs/dbraw/zinc/08/34/36/809083436.db2.gz	NFAWKOQOMJJEPB-SNVBAGLBSA-N	-1	0	288.307	0.440	20	30		CCEDRM
C=C(CC)CNC(=O)C(=O)N1CC[C@@](COC)(C(=O)[O-])C1	ZINC001262054439	809174883	/nfs/dbraw/zinc/17/48/83/809174883.db2.gz	HAXIPVYMHGCKGV-CQSZACIVSA-N	-1	0	298.339	0.019	20	30		CCEDRM
Cn1c(=O)[n-]c(NC[C@H]2CC=CCC2)c(C#N)c1=O	ZINC001262680871	809391946	/nfs/dbraw/zinc/39/19/46/809391946.db2.gz	SXIYBNYGNZRNCH-VIFPVBQESA-N	-1	0	260.297	0.713	20	30		CCEDRM
COCCCn1cc(C([O-])=C(C#N)C(=O)NC(C)C)cn1	ZINC001263296706	809504034	/nfs/dbraw/zinc/50/40/34/809504034.db2.gz	OEGCUZVPGISOKP-GFCCVEGCSA-N	-1	0	292.339	0.767	20	30		CCEDRM
Cn1ccnc1C([O-])=C(C#N)C(=O)[C@@H]1CCCC(=O)N1C	ZINC001263413617	809518137	/nfs/dbraw/zinc/51/81/37/809518137.db2.gz	DHYKPNJQRBTMSX-UWVGGRQHSA-N	-1	0	288.307	0.323	20	30		CCEDRM
C=CCOC[C@@H](CS(=O)(=O)[O-])OCc1cncnc1	ZINC001223218513	812157472	/nfs/dbraw/zinc/15/74/72/812157472.db2.gz	ZGHDYIDVITWUBQ-NSHDSACASA-N	-1	0	288.325	0.452	20	30		CCEDRM
C#CCN(CC#C)C(=O)c1ccc([N-]S(C)(=O)=O)nc1	ZINC001126369063	812712607	/nfs/dbraw/zinc/71/26/07/812712607.db2.gz	YWEKMGRMSSJWMT-UHFFFAOYSA-N	-1	0	291.332	0.162	20	30		CCEDRM
C=CCOCC(COCC=C)Oc1c([O-])c(=O)c1=O	ZINC001226603067	814060045	/nfs/dbraw/zinc/06/00/45/814060045.db2.gz	QZRLYFNRXSDWNY-UHFFFAOYSA-N	-1	0	268.265	0.141	20	30		CCEDRM
CCOC(=O)[C@H](C#C[Si](C)(C)C)OCC(=O)[O-]	ZINC001225024689	815911147	/nfs/dbraw/zinc/91/11/47/815911147.db2.gz	ZMWMKFKVBWINOL-VIFPVBQESA-N	-1	0	258.346	0.900	20	30		CCEDRM
C#CCCCNC(=O)N1CC[C@@](COC)(C(=O)[O-])C1	ZINC000388292925	816628174	/nfs/dbraw/zinc/62/81/74/816628174.db2.gz	XCYTYUMODARNLE-CYBMUJFWSA-N	-1	0	268.313	0.533	20	30		CCEDRM
Cn1cnc2c1nccc2C(=O)Nc1nc(C#N)c(C#N)[n-]1	ZINC000351262564	816665109	/nfs/dbraw/zinc/66/51/09/816665109.db2.gz	ZFUHGIQNTIWFBT-UHFFFAOYSA-N	-1	0	292.262	0.687	20	30		CCEDRM
N#Cc1csc(C(=O)[N-]S(=O)(=O)Cc2ccon2)c1	ZINC000176604836	816802571	/nfs/dbraw/zinc/80/25/71/816802571.db2.gz	RCNLTODNDOCANA-UHFFFAOYSA-N	-1	0	297.317	0.868	20	30		CCEDRM
COCC#CC(=O)N[C@H](c1nnn[n-]1)c1ccccc1	ZINC001168693976	818094842	/nfs/dbraw/zinc/09/48/42/818094842.db2.gz	KOLSLWDLTINUEN-LBPRGKRZSA-N	-1	0	271.280	0.055	20	30		CCEDRM
N#CC1(CS(=O)(=O)[N-]C(=O)CC[C@H]2CCCO2)CC1	ZINC000793204719	837407129	/nfs/dbraw/zinc/40/71/29/837407129.db2.gz	KPVSQFLHDZKMPW-SNVBAGLBSA-N	-1	0	286.353	0.695	20	30		CCEDRM
N#CCOc1ccc(NC(=N[O-])c2nonc2N)cc1	ZINC001212604468	837803270	/nfs/dbraw/zinc/80/32/70/837803270.db2.gz	FLARSUNUMOMVMG-UHFFFAOYSA-N	-1	0	274.240	0.802	20	30		CCEDRM
Cc1cc(C#N)c(=O)[n-]c1C(=O)NCCN=S(C)(C)=O	ZINC001156237560	836083904	/nfs/dbraw/zinc/08/39/04/836083904.db2.gz	LOFWDNVJELPQSX-UHFFFAOYSA-N	-1	0	296.352	0.425	20	30		CCEDRM
C[C@@H](CNc1ccncc1C#N)NC(=O)c1cnc[nH]c1=O	ZINC001108587215	836481495	/nfs/dbraw/zinc/48/14/95/836481495.db2.gz	RVUSJKUKSNKILA-VIFPVBQESA-N	-1	0	298.306	0.101	20	30		CCEDRM
CCCC#CC(=O)Nc1ccc2c(c1)S(=O)(=O)[N-]C2=O	ZINC001184270380	844183114	/nfs/dbraw/zinc/18/31/14/844183114.db2.gz	MXYAYOFAKYBQCB-UHFFFAOYSA-N	-1	0	292.316	0.861	20	30		CCEDRM
O=C(CCC(=O)C1=CC=C[CH]1)N[C@@H]1CCCNC(=O)C1	ZINC001184247103	844189338	/nfs/dbraw/zinc/18/93/38/844189338.db2.gz	GRJXTFVXLVHFAC-GFCCVEGCSA-N	-1	0	275.328	0.821	20	30		CCEDRM
C=C[C@@H](C)[C@H](C)C(=O)N1CCN(Cc2n[nH]c(=O)[n-]2)CC1	ZINC001113229042	837062971	/nfs/dbraw/zinc/06/29/71/837062971.db2.gz	BQVLUFPRGPVDGM-MNOVXSKESA-N	-1	0	293.371	0.613	20	30		CCEDRM
N#C[C@H]([N-]c1cc(F)cc(F)c1[N+](=O)[O-])C(N)=O	ZINC001170535388	837984880	/nfs/dbraw/zinc/98/48/80/837984880.db2.gz	HDKNROMZJTXXBP-ZETCQYMHSA-N	-1	0	256.168	0.662	20	30		CCEDRM
C=CC[C@@H](C)C(=O)NC(=N)SCCS(=O)(=O)[O-]	ZINC001144028237	839916788	/nfs/dbraw/zinc/91/67/88/839916788.db2.gz	VKSIVDAEBCACOC-SSDOTTSWSA-N	-1	0	280.371	0.871	20	30		CCEDRM
N#Cc1c(N)nn(C(=O)c2cccc([S-])c2)c1N	ZINC001186130748	844515983	/nfs/dbraw/zinc/51/59/83/844515983.db2.gz	ZBGNZEBBQGNNHP-UHFFFAOYSA-N	-1	0	259.294	0.896	20	30		CCEDRM
N#Cc1cn(CCNC(=O)C(F)=C2CCC2)c(=O)[n-]c1=O	ZINC001148392864	840790087	/nfs/dbraw/zinc/79/00/87/840790087.db2.gz	LOAPTHYFAUHJPG-UHFFFAOYSA-N	-1	0	292.270	0.344	20	30		CCEDRM
C[C@@H](C#N)c1cccc(C(=O)N[C@@H]2CO[N-]C2=O)c1	ZINC001148622079	840869333	/nfs/dbraw/zinc/86/93/33/840869333.db2.gz	CRMHLWCHXMMFNA-GZMMTYOYSA-N	-1	0	259.265	0.473	20	30		CCEDRM
CC(C)Oc1ccc(C(=O)N[C@@H]2CO[N-]C2=O)cc1C#N	ZINC001148774859	840890804	/nfs/dbraw/zinc/89/08/04/840890804.db2.gz	NPIYWPLTUPONFW-LLVKDONJSA-N	-1	0	289.291	0.505	20	30		CCEDRM
C#CC[C@@H](NC(=O)c1n[nH]c2c1CCCC2)C(=O)[O-]	ZINC000713735543	841151266	/nfs/dbraw/zinc/15/12/66/841151266.db2.gz	LGPFLVJNKYPPEF-SNVBAGLBSA-N	-1	0	261.281	0.495	20	30		CCEDRM
N#Cc1ncn(-c2cc(C(=O)[O-])cc([N+](=O)[O-])c2)c1N	ZINC001176673900	842398097	/nfs/dbraw/zinc/39/80/97/842398097.db2.gz	BPFMXZJVKIQMQN-UHFFFAOYSA-N	-1	0	273.208	0.933	20	30		CCEDRM
O=C(C#Cc1cccnc1)NC1C(=O)N=CN=C1[O-]	ZINC001177774050	842660826	/nfs/dbraw/zinc/66/08/26/842660826.db2.gz	VMDZZAXKBDAFSV-UHFFFAOYSA-N	-1	0	256.221	0.273	20	30		CCEDRM
CCOCCS(=O)(=O)[N-]c1cnccc1C#N	ZINC001187246034	844678838	/nfs/dbraw/zinc/67/88/38/844678838.db2.gz	JDSOVMUGNHOOHK-UHFFFAOYSA-N	-1	0	255.299	0.731	20	30		CCEDRM
N#Cc1ncc(F)cc1[N-]S(=O)(=O)c1c[nH]cn1	ZINC001187738220	844759120	/nfs/dbraw/zinc/75/91/20/844759120.db2.gz	MUGLWPOZSVRQOA-UHFFFAOYSA-N	-1	0	267.245	0.616	20	30		CCEDRM
NC(=NC(=O)c1ccncc1[O-])c1ccc(F)cn1	ZINC001188637586	844941656	/nfs/dbraw/zinc/94/16/56/844941656.db2.gz	DNYCFQVYVTZLOT-UHFFFAOYSA-N	-1	0	260.228	0.867	20	30		CCEDRM
C=C[C@@H](CO)NC(=O)c1ccccc1S(=O)(=O)[O-]	ZINC001189703639	845195253	/nfs/dbraw/zinc/19/52/53/845195253.db2.gz	LAGQZJSEVWMUPZ-QMMMGPOBSA-N	-1	0	271.294	0.210	20	30		CCEDRM
C#CCCC1(CCNS(=O)(=O)c2ncc[n-]2)N=N1	ZINC001190762532	845476242	/nfs/dbraw/zinc/47/62/42/845476242.db2.gz	LCNQUQOGLQYJNR-UHFFFAOYSA-N	-1	0	267.314	0.654	20	30		CCEDRM
C#C[C@@H](CO)NS(=O)(=O)c1cccc(F)c1F	ZINC001190723222	845477340	/nfs/dbraw/zinc/47/73/40/845477340.db2.gz	ICLCPKQAUHMVQJ-ZETCQYMHSA-N	-1	0	261.249	0.237	20	30		CCEDRM
N#Cc1ccc([N-]S(=O)(=O)c2ncc[nH]2)c(C#N)c1	ZINC001190729191	845479538	/nfs/dbraw/zinc/47/95/38/845479538.db2.gz	IEDCRUBZTNWWAX-UHFFFAOYSA-N	-1	0	273.277	0.954	20	30		CCEDRM
COC(=O)c1ccc([O-])c(C(=O)N2CCO[C@@H](C#N)C2)c1	ZINC001192386697	845833946	/nfs/dbraw/zinc/83/39/46/845833946.db2.gz	NAZCCFBLFDNLBH-JTQLQIEISA-N	-1	0	290.275	0.543	20	30		CCEDRM
N#CCS(=O)(=O)[N-]c1cnn2cc(F)ccc12	ZINC001192951765	845933943	/nfs/dbraw/zinc/93/39/43/845933943.db2.gz	QBYFGNFUCYEODI-UHFFFAOYSA-N	-1	0	254.246	0.739	20	30		CCEDRM
COc1cc([N-]S(=O)(=O)CC#N)c(C(N)=O)c(OC)c1	ZINC001192982188	845943047	/nfs/dbraw/zinc/94/30/47/845943047.db2.gz	IGYOFSSXOBEFIH-UHFFFAOYSA-N	-1	0	299.308	0.068	20	30		CCEDRM
CN1CCc2ncc([N-]S(=O)(=O)CC#N)cc2C1	ZINC001192939465	845943768	/nfs/dbraw/zinc/94/37/68/845943768.db2.gz	PYWSXMNFELSTBB-UHFFFAOYSA-N	-1	0	266.326	0.335	20	30		CCEDRM
COC(=O)c1cc(O)ccc1[N-]S(=O)(=O)CC#N	ZINC001192978710	845961177	/nfs/dbraw/zinc/96/11/77/845961177.db2.gz	BHUANMGQBIAMOH-UHFFFAOYSA-N	-1	0	270.266	0.444	20	30		CCEDRM
N#CCS(=O)(=O)[N-]c1cccc2c1OCCO2	ZINC001192979083	845961205	/nfs/dbraw/zinc/96/12/05/845961205.db2.gz	XJRPYCORTPCRLC-UHFFFAOYSA-N	-1	0	254.267	0.723	20	30		CCEDRM
N#CCS(=O)(=O)[N-]c1ccc2c(c1)C(=O)NCC2	ZINC001192980129	845962539	/nfs/dbraw/zinc/96/25/39/845962539.db2.gz	CBBPBOSYJGHQRB-UHFFFAOYSA-N	-1	0	265.294	0.238	20	30		CCEDRM
C[C@H](C#N)S(=O)(=O)[N-]c1cnccc1N(C)C	ZINC001193105347	845978573	/nfs/dbraw/zinc/97/85/73/845978573.db2.gz	VBSGXJPSIGASKP-MRVPVSSYSA-N	-1	0	254.315	0.801	20	30		CCEDRM
C[C@@H](C#N)S(=O)(=O)[N-]c1cc2ccccn2n1	ZINC001193111220	845981644	/nfs/dbraw/zinc/98/16/44/845981644.db2.gz	DMPVTLJZKJHRBK-QMMMGPOBSA-N	-1	0	250.283	0.988	20	30		CCEDRM
COC(=O)/C=C/c1ccc([N-]S(=O)(=O)[C@@H](C)C#N)nc1	ZINC001193112919	845982296	/nfs/dbraw/zinc/98/22/96/845982296.db2.gz	WPNUCSHAIUNBMM-DNQSNQRASA-N	-1	0	295.320	0.922	20	30		CCEDRM
C[C@H](C#N)S(=O)(=O)[N-]c1ccc2c(c1)nnn2C	ZINC001193146715	846004712	/nfs/dbraw/zinc/00/47/12/846004712.db2.gz	RMMZHYCBUYZTSS-SSDOTTSWSA-N	-1	0	265.298	0.622	20	30		CCEDRM
C[C@H](C#N)S(=O)(=O)[N-]c1cc(CO)ccc1F	ZINC001193146711	846004820	/nfs/dbraw/zinc/00/48/20/846004820.db2.gz	RLRYVXCQIBPJAM-SSDOTTSWSA-N	-1	0	258.274	0.972	20	30		CCEDRM
COC(=O)c1cc(C#N)ccc1[N-]S(=O)(=O)[C@@H](C)C#N	ZINC001193150644	846006573	/nfs/dbraw/zinc/00/65/73/846006573.db2.gz	ZKVVUMODSOPCOW-QMMMGPOBSA-N	-1	0	293.304	0.999	20	30		CCEDRM
COC(=O)c1cccc([N-]S(=O)(=O)[C@@H](C)C#N)c1O	ZINC001193151877	846006812	/nfs/dbraw/zinc/00/68/12/846006812.db2.gz	VQTLHLVNQHPHIT-ZETCQYMHSA-N	-1	0	284.293	0.833	20	30		CCEDRM
C[C@H](C#N)S(=O)(=O)[N-]c1ccc(O)cc1C#N	ZINC001193149397	846007143	/nfs/dbraw/zinc/00/71/43/846007143.db2.gz	NVBNEIHDZYMMFG-SSDOTTSWSA-N	-1	0	251.267	0.918	20	30		CCEDRM
C[C@@H](C#N)S(=O)(=O)[N-]c1cc(O)cc(C(N)=O)c1	ZINC001193160501	846010406	/nfs/dbraw/zinc/01/04/06/846010406.db2.gz	DNHTUGWWDVLRNR-LURJTMIESA-N	-1	0	269.282	0.145	20	30		CCEDRM
CCOC(=O)[C@@H]([N-]S(=O)(=O)[C@H](C)C#N)c1ccccn1	ZINC001193182967	846027784	/nfs/dbraw/zinc/02/77/84/846027784.db2.gz	UXXGZJYPTVBWNB-KOLCDFICSA-N	-1	0	297.336	0.517	20	30		CCEDRM
N#Cc1cnc([N-]S(=O)(=O)CC2CCC2)cn1	ZINC001193467788	846084664	/nfs/dbraw/zinc/08/46/64/846084664.db2.gz	JDVSIICQMCUBAX-UHFFFAOYSA-N	-1	0	252.299	0.890	20	30		CCEDRM
N#Cc1cc(C(=O)N2C[C@@H]3COC[C@H](C2)C3=O)ccc1[O-]	ZINC001193506093	846101289	/nfs/dbraw/zinc/10/12/89/846101289.db2.gz	RBUUKIODVQFCHN-TXEJJXNPSA-N	-1	0	286.287	0.551	20	30		CCEDRM
N#Cc1cc(C(=O)N2CCO[C@@H](C#N)C2)ccc1[O-]	ZINC001193504116	846101367	/nfs/dbraw/zinc/10/13/67/846101367.db2.gz	NGRLRBMWKAXYEB-NSHDSACASA-N	-1	0	257.249	0.628	20	30		CCEDRM
N#Cc1cccc(C(=O)N=c2[nH]cnn3cccc23)c1[O-]	ZINC001193634875	846131508	/nfs/dbraw/zinc/13/15/08/846131508.db2.gz	KSRJWQJOQJQVAE-UHFFFAOYSA-N	-1	0	279.259	0.981	20	30		CCEDRM
Cc1noc(NC(=O)c2cccc(C#N)c2[O-])c1C(N)=O	ZINC001193634212	846131583	/nfs/dbraw/zinc/13/15/83/846131583.db2.gz	AOBCJCVEZPADJI-UHFFFAOYSA-N	-1	0	286.247	0.912	20	30		CCEDRM
COc1ccc(C#N)c(S(=O)(=O)[N-]c2ncn(C)n2)c1	ZINC001193636707	846133554	/nfs/dbraw/zinc/13/35/54/846133554.db2.gz	YHMCAONYDPYEKV-UHFFFAOYSA-N	-1	0	293.308	0.496	20	30		CCEDRM
C[C@]1(CO)CN(C(=O)c2cccc(C#N)c2[O-])CC[C@H]1O	ZINC001193642947	846135618	/nfs/dbraw/zinc/13/56/18/846135618.db2.gz	UEJTYFXXLYMOFA-IUODEOHRSA-N	-1	0	290.319	0.469	20	30		CCEDRM
COC(=O)[C@@]1(F)CCN(C(=O)c2cccc(C#N)c2[O-])C1	ZINC001193642695	846135715	/nfs/dbraw/zinc/13/57/15/846135715.db2.gz	NJHKXWSYDVYCID-CQSZACIVSA-N	-1	0	292.266	0.991	20	30		CCEDRM
CS(=O)(=O)[C@H]1C[C@H](NC(=O)c2ccc(C#N)cc2[O-])C1	ZINC001195764133	846613629	/nfs/dbraw/zinc/61/36/29/846613629.db2.gz	GYVFMSRVXVUQFS-MGCOHNPYSA-N	-1	0	294.332	0.569	20	30		CCEDRM
COc1ccnc(C(=N)NC(=O)c2ccc(C#N)cc2[O-])n1	ZINC001195765264	846614012	/nfs/dbraw/zinc/61/40/12/846614012.db2.gz	ZHKLGFWNXZSVHP-UHFFFAOYSA-N	-1	0	297.274	0.818	20	30		CCEDRM
Cn1cnc([N-]S(=O)(=O)c2ccc(O)cc2)c1C#N	ZINC001195767059	846615624	/nfs/dbraw/zinc/61/56/24/846615624.db2.gz	DMNSDCLXNTWFEJ-UHFFFAOYSA-N	-1	0	278.293	0.798	20	30		CCEDRM
CCOC(=O)CS(=O)(=O)[N-]c1ncc(C)cc1C#N	ZINC001195942849	846648249	/nfs/dbraw/zinc/64/82/49/846648249.db2.gz	VLGIUNIFSOGJTA-UHFFFAOYSA-N	-1	0	283.309	0.567	20	30		CCEDRM
Cc1nc(C#N)c([N-]C(=O)c2snnc2CO)o1	ZINC001196351549	846730871	/nfs/dbraw/zinc/73/08/71/846730871.db2.gz	LJPXWUMDJOWHKL-UHFFFAOYSA-N	-1	0	265.254	0.451	20	30		CCEDRM
N#C[C@H]1CNCCN1C(=O)c1cc(Cl)ncc1[O-]	ZINC001196388649	846740931	/nfs/dbraw/zinc/74/09/31/846740931.db2.gz	BGDNZIBHQYCMAT-ZETCQYMHSA-N	-1	0	266.688	0.378	20	30		CCEDRM
C=C[C@@H](CO)NC(=O)c1sccc1[N-]S(C)(=O)=O	ZINC001196739541	846795807	/nfs/dbraw/zinc/79/58/07/846795807.db2.gz	PSFIYKIBSICFEH-ZETCQYMHSA-N	-1	0	290.366	0.396	20	30		CCEDRM
C=C[C@@H](CO)NS(=O)(=O)c1ccccc1C(=O)[O-]	ZINC001198800822	847174567	/nfs/dbraw/zinc/17/45/67/847174567.db2.gz	DHDYDRKAEYPMGE-QMMMGPOBSA-N	-1	0	271.294	0.210	20	30		CCEDRM
C=CCSc1ncccc1C(=O)NCc1nnn[n-]1	ZINC001199739189	847415184	/nfs/dbraw/zinc/41/51/84/847415184.db2.gz	WGUOKJQEGUJKRX-UHFFFAOYSA-N	-1	0	276.325	0.803	20	30		CCEDRM
CN(C)S(=O)(=O)[N-]C(=O)C=Cc1cnn(C)c1	ZINC000048869270	847762469	/nfs/dbraw/zinc/76/24/69/847762469.db2.gz	GJBVKRKMQHLIHE-SNAWJCMRSA-N	-1	0	258.303	0.196	20	30		CCEDRM
Cn1cnc([N-]S(=O)(=O)C(F)(F)F)c1C#N	ZINC001252285953	847922526	/nfs/dbraw/zinc/92/25/26/847922526.db2.gz	JZUOZSYUJYSVAW-UHFFFAOYSA-N	-1	0	254.193	0.553	20	30		CCEDRM
C#CC[C@H](CO)NC(=O)[C@@H]1CCC[C@H](C(=O)[O-])C1	ZINC000717711767	848286210	/nfs/dbraw/zinc/28/62/10/848286210.db2.gz	UCCWDRWHFZRDKN-OUAUKWLOSA-N	-1	0	253.298	0.378	20	30		CCEDRM
C=C(C)CCC(=O)NCC=CCNCc1n[nH]c(=O)[n-]1	ZINC001274069411	848338286	/nfs/dbraw/zinc/33/82/86/848338286.db2.gz	RBMZQOCCGLGLDR-ONEGZZNKSA-N	-1	0	279.344	0.629	20	30		CCEDRM
CS(=O)(=O)CS(=O)(=O)[N-]c1cc(F)cc(C#N)c1	ZINC000720004012	848971707	/nfs/dbraw/zinc/97/17/07/848971707.db2.gz	AVOHETUIPGZBOG-UHFFFAOYSA-N	-1	0	292.313	0.441	20	30		CCEDRM
N#Cc1ccc(C(=O)N2CCC[C@H](c3nnn[n-]3)C2)o1	ZINC000720462236	849465278	/nfs/dbraw/zinc/46/52/78/849465278.db2.gz	IQWIGCQXGRLPKF-QMMMGPOBSA-N	-1	0	272.268	0.684	20	30		CCEDRM
COC(=O)CS(=O)(=O)[N-]c1ncc(C)cc1C#N	ZINC001259018908	849860904	/nfs/dbraw/zinc/86/09/04/849860904.db2.gz	YTWVQXQEWSIZQO-UHFFFAOYSA-N	-1	0	269.282	0.176	20	30		CCEDRM
C#C[C@@H]1CCCN(C(=O)C2(C(=O)[O-])CCOCC2)C1	ZINC000689369521	852512974	/nfs/dbraw/zinc/51/29/74/852512974.db2.gz	NDBSSWFTJMLRSM-LLVKDONJSA-N	-1	0	265.309	0.740	20	30		CCEDRM
C#CCN1CCN(S(=O)(=O)c2ccccc2[O-])CC1	ZINC000383616558	853861321	/nfs/dbraw/zinc/86/13/21/853861321.db2.gz	GWNCPACBYVFAHO-UHFFFAOYSA-N	-1	0	280.349	0.332	20	30		CCEDRM
C=CCOc1ccc(C(=O)N2CC[C@@](O)(C(=O)[O-])C2)cc1	ZINC000386578413	853944736	/nfs/dbraw/zinc/94/47/36/853944736.db2.gz	STWOMZHGQFCCNA-HNNXBMFYSA-N	-1	0	291.303	0.913	20	30		CCEDRM
C#CC[C@H](NC(=O)[C@@H]1OCCc2ccccc21)C(=O)[O-]	ZINC000149979610	854011171	/nfs/dbraw/zinc/01/11/71/854011171.db2.gz	ZICKTNJITRCMOO-QWHCGFSZSA-N	-1	0	273.288	0.893	20	30		CCEDRM
N#Cc1ccc(NC(=O)C(=O)[N-]OC2CCOCC2)cc1	ZINC001116669951	855809634	/nfs/dbraw/zinc/80/96/34/855809634.db2.gz	PRMHEKFEROYPJN-UHFFFAOYSA-N	-1	0	289.291	0.724	20	30		CCEDRM
N#Cc1ccnc(/C=C\c2cn(CC(=O)[O-])nn2)c1	ZINC001116868599	855853159	/nfs/dbraw/zinc/85/31/59/855853159.db2.gz	FOFDUSVEIVYYQS-UPHRSURJSA-N	-1	0	255.237	0.800	20	30		CCEDRM
C=CC[C@@H](NC(=O)C1(C#N)CCOCC1)C(=O)[O-]	ZINC001116921667	855868592	/nfs/dbraw/zinc/86/85/92/855868592.db2.gz	FOPFBPQOMJKKPN-SECBINFHSA-N	-1	0	252.270	0.452	20	30		CCEDRM
C=CC[C@H](CC)NC(=O)C(=O)[N-]OCCOCC	ZINC001117393967	855965721	/nfs/dbraw/zinc/96/57/21/855965721.db2.gz	MPPVZVJKCXZCCO-JTQLQIEISA-N	-1	0	258.318	0.542	20	30		CCEDRM
COC(=O)CN(CC#N)C(=O)c1ccc2oc(=O)nc-2[n-]1	ZINC001118681786	856391780	/nfs/dbraw/zinc/39/17/80/856391780.db2.gz	VLJIMOBNKBYBTR-UHFFFAOYSA-N	-1	0	290.235	0.067	20	30		CCEDRM
C=CC[C@H](CC)NC(=O)C(=O)N[C@H]1C[C@H](C(=O)[O-])C1	ZINC001119391808	856665655	/nfs/dbraw/zinc/66/56/55/856665655.db2.gz	HQGPHBOPCPIFEP-GUBZILKMSA-N	-1	0	268.313	0.437	20	30		CCEDRM
C#CCSCC(=O)[N-]S(=O)(=O)C[C@H]1CCCCO1	ZINC001119480435	856700632	/nfs/dbraw/zinc/70/06/32/856700632.db2.gz	SQVUJFBRBGLCGQ-SNVBAGLBSA-N	-1	0	291.394	0.368	20	30		CCEDRM
C=CCN(CC(=O)[O-])C(=O)c1ccnc(OC)c1	ZINC001119580819	856752611	/nfs/dbraw/zinc/75/26/11/856752611.db2.gz	QVPRJUZGNMFYFT-UHFFFAOYSA-N	-1	0	250.254	0.803	20	30		CCEDRM
C[C@@]1(NC(=O)C#CC2CC2)CCN(Cc2n[nH]c(=O)[n-]2)C1	ZINC001324615482	912941543	/nfs/dbraw/zinc/94/15/43/912941543.db2.gz	OZKMEHMGIKNCSY-CQSZACIVSA-N	-1	0	289.339	0.004	20	30		CCEDRM
CCOCCO[N-]C(=O)C(=O)NCC#Cc1ccccc1	ZINC001325449885	913411314	/nfs/dbraw/zinc/41/13/14/913411314.db2.gz	AGDFEOUJYPQRRL-UHFFFAOYSA-N	-1	0	290.319	0.239	20	30		CCEDRM
C=C[C@@H](O)C(=O)OCC(=O)c1ccc(O)cc1O	ZINC001326213716	913824010	/nfs/dbraw/zinc/82/40/10/913824010.db2.gz	NJNWUGAZQJLSDV-SECBINFHSA-N	-1	0	252.222	0.371	20	30		CCEDRM
C#C[C@H](NC(=O)c1n[nH]c(=O)[n-]c1=O)c1ccccc1	ZINC001299870118	893944722	/nfs/dbraw/zinc/94/47/22/893944722.db2.gz	XFYXLKOMTRFLBF-VIFPVBQESA-N	-1	0	270.248	0.387	20	30		CCEDRM
C#CCCCCC(=O)N(C)C1CN(Cc2n[nH]c(=O)[n-]2)C1	ZINC001483859650	896082307	/nfs/dbraw/zinc/08/23/07/896082307.db2.gz	DAMGRHRYXSDMQX-UHFFFAOYSA-N	-1	0	291.355	0.347	20	30		CCEDRM
C#CCN1C[C@@H]2C[C@H]1CN2C(=O)c1ccc2oc(=O)nc-2[n-]1	ZINC001032729457	898019405	/nfs/dbraw/zinc/01/94/05/898019405.db2.gz	CFDHBUTVWOMTIB-UWVGGRQHSA-N	-1	0	298.302	0.460	20	30		CCEDRM
C=CC[C@@H](NC(=O)NCc1nnn(C(C)(C)C)n1)C(=O)[O-]	ZINC001327052100	914336808	/nfs/dbraw/zinc/33/68/08/914336808.db2.gz	JANAUHKQUKHGMX-MRVPVSSYSA-N	-1	0	296.331	0.257	20	30		CCEDRM
COc1cncc(C([O-])=C(C#N)C(=O)c2nccn2C)n1	ZINC000791835876	899801811	/nfs/dbraw/zinc/80/18/11/899801811.db2.gz	HIMOXCBTYUKUDP-QMMMGPOBSA-N	-1	0	285.263	0.424	20	30		CCEDRM
Cc1n[nH]c(C(=O)NC[C@H]2CC[C@@H](NCC#N)C2)c1[O-]	ZINC001086674472	899823603	/nfs/dbraw/zinc/82/36/03/899823603.db2.gz	HOPJXIMFESPTHZ-VHSXEESVSA-N	-1	0	277.328	0.435	20	30		CCEDRM
COc1ccc([N-]S(=O)(=O)[C@@H](C)C#N)nc1OC	ZINC001193106598	900031928	/nfs/dbraw/zinc/03/19/28/900031928.db2.gz	SWRPGCJHBTWVPZ-ZETCQYMHSA-N	-1	0	271.298	0.753	20	30		CCEDRM
Cc1n[nH]c(C(=O)N[C@H](C)CCNC(=O)[C@@H](C)C#N)c1[O-]	ZINC001397852184	914410119	/nfs/dbraw/zinc/41/01/19/914410119.db2.gz	HNQIQZJKYLRDMU-JGVFFNPUSA-N	-1	0	293.327	0.208	20	30		CCEDRM
CCNC(=O)CN(CC)C(=O)c1[n-]c(=O)c(C#N)cc1C	ZINC001412436969	901720137	/nfs/dbraw/zinc/72/01/37/901720137.db2.gz	YHMNMPGVMAOLGL-UHFFFAOYSA-N	-1	0	290.323	0.566	20	30		CCEDRM
N#Cc1cccc(C(=O)N2C[C@@H]3CC[C@H](C2)[C@H]3C(N)=O)c1[O-]	ZINC001276215960	901974492	/nfs/dbraw/zinc/97/44/92/901974492.db2.gz	TUBDIDNDOCOJNV-PTEHBNRSSA-N	-1	0	299.330	0.847	20	30		CCEDRM
CO[C@@H]1COC[C@H]1NC(=O)c1[n-]c(=O)c(C#N)cc1C	ZINC001413178976	902762012	/nfs/dbraw/zinc/76/20/12/902762012.db2.gz	FBYBATJQUBZJPB-NXEZZACHSA-N	-1	0	277.280	0.111	20	30		CCEDRM
C[C@@H](C#N)N(C(=O)CCCn1c(=O)[n-][nH]c1=O)C1CC1	ZINC001413238561	902807156	/nfs/dbraw/zinc/80/71/56/902807156.db2.gz	ZBSLPBLXEPYNEY-QMMMGPOBSA-N	-1	0	279.300	0.373	20	30		CCEDRM
Cc1nnc(CN(C)C(=O)c2[n-]c(=O)c(C#N)cc2C)o1	ZINC001413262704	902827242	/nfs/dbraw/zinc/82/72/42/902827242.db2.gz	GMBCJKZYPMZCOL-UHFFFAOYSA-N	-1	0	287.279	0.931	20	30		CCEDRM
COC[C@H]1CCCN1NC(=O)c1[n-]c(=O)c(C#N)cc1C	ZINC001413284185	902847091	/nfs/dbraw/zinc/84/70/91/902847091.db2.gz	DYJFEZAKFDPVRP-LLVKDONJSA-N	-1	0	290.323	0.723	20	30		CCEDRM
CC1(CC(=O)NCCn2cc(C#N)c(=O)[n-]c2=O)CC1	ZINC001413310004	902863032	/nfs/dbraw/zinc/86/30/32/902863032.db2.gz	RBHJNNSRTMCGMY-UHFFFAOYSA-N	-1	0	276.296	0.127	20	30		CCEDRM
Cc1nnc([S-])n(N=Cc2cnn(C)c2Cl)c1=O	ZINC001327800623	914774759	/nfs/dbraw/zinc/77/47/59/914774759.db2.gz	AXSDZOWIWJVUOL-UHFFFAOYSA-N	-1	0	284.732	0.505	20	30		CCEDRM
C=CCCCC(=O)NCCN(C)C(=O)c1n[nH]c(C)c1[O-]	ZINC001284576098	905381885	/nfs/dbraw/zinc/38/18/85/905381885.db2.gz	GJKBSNSONYDFMA-UHFFFAOYSA-N	-1	0	294.355	0.968	20	30		CCEDRM
C#CCC[C@@H](O)CNC(=O)c1[n-]c(=O)c(C#N)cc1C	ZINC001296956295	906977422	/nfs/dbraw/zinc/97/74/22/906977422.db2.gz	VDUSNPLXNZANQP-LLVKDONJSA-N	-1	0	273.292	0.471	20	30		CCEDRM
CN(C)c1ccc(CNc2[n-]c(=O)n(C)c(=O)c2C#N)cc1	ZINC001337700915	921287258	/nfs/dbraw/zinc/28/72/58/921287258.db2.gz	CPYJFVWAAXQSOE-UHFFFAOYSA-N	-1	0	299.334	0.623	20	30		CCEDRM
C=CCO[N-]C(=O)Cn1cnc2c(C)cccc2c1=O	ZINC001297985097	907137041	/nfs/dbraw/zinc/13/70/41/907137041.db2.gz	MMKAMQUHNJRUPM-UHFFFAOYSA-N	-1	0	273.292	0.939	20	30		CCEDRM
CN(C[C@H]1CC=CCC1)c1[n-]c(=O)n(C)c(=O)c1C#N	ZINC001337930786	921303649	/nfs/dbraw/zinc/30/36/49/921303649.db2.gz	BUDLOAJKMILJHY-JTQLQIEISA-N	-1	0	274.324	0.738	20	30		CCEDRM
C#C[C@@H](CO)NC(=O)c1ccc([N+](=O)[O-])cc1[O-]	ZINC001298585339	907279165	/nfs/dbraw/zinc/27/91/65/907279165.db2.gz	NBLFBFIKAKCFTD-ZETCQYMHSA-N	-1	0	250.210	0.024	20	30		CCEDRM
Cc1n[nH]c(C(=O)N[C@@H](C)CN(C)C(=O)[C@H](C)C#N)c1[O-]	ZINC001382199090	907614148	/nfs/dbraw/zinc/61/41/48/907614148.db2.gz	PQCLYXJYQHXOMX-SFYZADRCSA-N	-1	0	293.327	0.160	20	30		CCEDRM
C=C(C)C(C)(C)C(=O)NCCN(C)Cc1n[nH]c(=O)[n-]1	ZINC001492370413	907880263	/nfs/dbraw/zinc/88/02/63/907880263.db2.gz	UADNWNKBLXHLCV-UHFFFAOYSA-N	-1	0	281.360	0.661	20	30		CCEDRM
C=CCO[N-]C(=O)C(=O)Nc1ccc(OC)nc1CC	ZINC001338187682	921392977	/nfs/dbraw/zinc/39/29/77/921392977.db2.gz	JDEHZSAZADCFQY-UHFFFAOYSA-N	-1	0	279.296	0.825	20	30		CCEDRM
C=C[C@@H](C)O[N-]C(=O)C(=O)Nc1ccnn1[C@@H]1CCOC1	ZINC001338237804	921403840	/nfs/dbraw/zinc/40/38/40/921403840.db2.gz	UGQWGGBSTZVSJD-NXEZZACHSA-N	-1	0	294.311	0.405	20	30		CCEDRM
O=c1nc(NN=Cc2cccc3c[nH]nc32)nc2[nH][nH]cc1-2	ZINC001318670295	909855612	/nfs/dbraw/zinc/85/56/12/909855612.db2.gz	IUCBPBCDUNJYNU-UHFFFAOYSA-N	-1	0	294.278	0.754	20	30		CCEDRM
C=CC[C@@H](NC(=O)c1cccc(NC(N)=O)c1)C(=O)[O-]	ZINC001321166757	911133000	/nfs/dbraw/zinc/13/30/00/911133000.db2.gz	KNHNZBPTEFAOSM-SNVBAGLBSA-N	-1	0	277.280	0.936	20	30		CCEDRM
C#CCO[N-]C(=O)[C@@H](CC#CC)NC(=O)OC(C)(C)C	ZINC001339077568	921644357	/nfs/dbraw/zinc/64/43/57/921644357.db2.gz	LSUORFUFBWYBML-LLVKDONJSA-N	-1	0	280.324	0.974	20	30		CCEDRM
N#CCSCC(=O)N1CCC[C@@H](c2n[nH]c(=O)[n-]2)C1	ZINC001322791216	911958427	/nfs/dbraw/zinc/95/84/27/911958427.db2.gz	JXDFZUWHJKIAIJ-MRVPVSSYSA-N	-1	0	281.341	0.473	20	30		CCEDRM
C=CCO[C@H]1CCN(C(=O)c2cc(=O)n(C)[n-]2)C1	ZINC001328662280	915341394	/nfs/dbraw/zinc/34/13/94/915341394.db2.gz	WCDSNXANYGHXEA-VIFPVBQESA-N	-1	0	251.286	0.543	20	30		CCEDRM
C[C@H]1CN(C(=O)C(=O)NCCCCC#N)CC[C@@H]1C(=O)[O-]	ZINC001329063066	915639615	/nfs/dbraw/zinc/63/96/15/915639615.db2.gz	UFTRFHYPYYLQNU-QWRGUYRKSA-N	-1	0	295.339	0.366	20	30		CCEDRM
N#CCCN1CCN(c2ccc(C(=O)[O-])cn2)CC1	ZINC001329791289	916188632	/nfs/dbraw/zinc/18/86/32/916188632.db2.gz	YAOVXWOLMTYRRG-UHFFFAOYSA-N	-1	0	260.297	0.815	20	30		CCEDRM
C[C@@H](CC#N)C(=O)[N-]S(=O)(=O)C1CCOCC1	ZINC001330507703	916671021	/nfs/dbraw/zinc/67/10/21/916671021.db2.gz	WEPBICOUHWITGQ-QMMMGPOBSA-N	-1	0	260.315	0.161	20	30		CCEDRM
C=CCN1CC[C@@H](N(C)Cc2cc(C(=O)[O-])nn2C)C1=O	ZINC001330828038	916902324	/nfs/dbraw/zinc/90/23/24/916902324.db2.gz	ZGFATCGEMPCXRN-GFCCVEGCSA-N	-1	0	292.339	0.337	20	30		CCEDRM
C#C[C@H](CCC)[N-]S(=O)(=O)c1cc(C(=O)OC)no1	ZINC001331554219	917414520	/nfs/dbraw/zinc/41/45/20/917414520.db2.gz	FQIVGIGQCNAXMW-MRVPVSSYSA-N	-1	0	286.309	0.541	20	30		CCEDRM
C=CCC1(C(=O)NCc2nc(=O)o[n-]2)CCOCC1	ZINC001331985724	917783210	/nfs/dbraw/zinc/78/32/10/917783210.db2.gz	KHXBDKWOYVBQPI-UHFFFAOYSA-N	-1	0	267.285	0.352	20	30		CCEDRM
C=CC[C@H](NC(=O)[C@@H](O)c1cccc(OC)c1)C(=O)[O-]	ZINC001332136871	917894951	/nfs/dbraw/zinc/89/49/51/917894951.db2.gz	RTQPCBRPBICLLO-RYUDHWBXSA-N	-1	0	279.292	0.874	20	30		CCEDRM
C=CC[C@H](NC(=O)N[C@@H](C)c1ccn(C)n1)C(=O)[O-]	ZINC001332490665	918214871	/nfs/dbraw/zinc/21/48/71/918214871.db2.gz	XWOHLNFZTKXGTN-WPRPVWTQSA-N	-1	0	266.301	0.810	20	30		CCEDRM
C#CC[C@@H](NC(=O)c1cccc2c1COCC2)C(=O)[O-]	ZINC001332624202	918325359	/nfs/dbraw/zinc/32/53/59/918325359.db2.gz	RCFORSIIRBSBOF-CYBMUJFWSA-N	-1	0	273.288	0.966	20	30		CCEDRM
C#CCCCC(=O)N1CCC(C(=O)[O-])([S@](C)=O)CC1	ZINC001333335425	918814686	/nfs/dbraw/zinc/81/46/86/918814686.db2.gz	TVGIYPUFABTMKD-IBGZPJMESA-N	-1	0	285.365	0.614	20	30		CCEDRM
C#CC1(O)CCN(C(=O)c2cnc(C3CC3)[nH]c2=O)CC1	ZINC001334250850	919457932	/nfs/dbraw/zinc/45/79/32/919457932.db2.gz	LCYWYWJAWIKOSI-UHFFFAOYSA-N	-1	0	287.319	0.660	20	30		CCEDRM
C=C(C)CCC(=O)NCCN(CC)Cc1n[nH]c(=O)[n-]1	ZINC001492963297	919758114	/nfs/dbraw/zinc/75/81/14/919758114.db2.gz	SBFSZVRRNBWETH-UHFFFAOYSA-N	-1	0	281.360	0.805	20	30		CCEDRM
C=C(C)CCC(=O)N1CCO[C@@H](c2nnn[n-]2)C1	ZINC001335790715	920436237	/nfs/dbraw/zinc/43/62/37/920436237.db2.gz	SSJJUSOBCXJJBR-SECBINFHSA-N	-1	0	251.290	0.456	20	30		CCEDRM
C=CC[C@@H](NC(=O)CCC(=O)NC1CCCC1)C(=O)[O-]	ZINC001339863022	921856038	/nfs/dbraw/zinc/85/60/38/921856038.db2.gz	XNOKXSYLVUHGKI-LLVKDONJSA-N	-1	0	282.340	0.971	20	30		CCEDRM
N#Cc1cccc(C(=O)N2CCC(c3nnn[n-]3)CC2)n1	ZINC001418999229	922559409	/nfs/dbraw/zinc/55/94/09/922559409.db2.gz	XBSCYXMICOKEGT-UHFFFAOYSA-N	-1	0	283.295	0.486	20	30		CCEDRM
C=CCS(=O)(=O)[N-]C(=O)CCc1nnc(C(C)C)o1	ZINC001341686426	922627810	/nfs/dbraw/zinc/62/78/10/922627810.db2.gz	ZVOYXPZNLSQXMQ-UHFFFAOYSA-N	-1	0	287.341	0.758	20	30		CCEDRM
COCCNC(=O)C(C#N)=C([O-])c1ccnn1C1CCC1	ZINC001341931816	922726048	/nfs/dbraw/zinc/72/60/48/922726048.db2.gz	QEOCLZCVYNINHE-LLVKDONJSA-N	-1	0	290.323	0.693	20	30		CCEDRM
CCCn1cc(C([O-])=C(C#N)C(=O)NCCOC)c(C)n1	ZINC001341941142	922731778	/nfs/dbraw/zinc/73/17/78/922731778.db2.gz	YKRYVVFTVIKGKO-LLVKDONJSA-N	-1	0	292.339	0.687	20	30		CCEDRM
N#CC(C(=O)NC1CC1)=C([O-])c1cn2c(n1)COCC2	ZINC001341956357	922736006	/nfs/dbraw/zinc/73/60/06/922736006.db2.gz	VZOLGOBMVCSCLS-VIFPVBQESA-N	-1	0	274.280	0.014	20	30		CCEDRM
C=CCn1cc(C([O-])=C(C#N)C(=O)N2CCCC2)nn1	ZINC001341952941	922737959	/nfs/dbraw/zinc/73/79/59/922737959.db2.gz	YDCOAAZPEWWFEC-SNVBAGLBSA-N	-1	0	273.296	0.409	20	30		CCEDRM
COCc1nn(C)cc1C([O-])=C(C#N)C(=O)NC1CC1	ZINC001342047783	922780558	/nfs/dbraw/zinc/78/05/58/922780558.db2.gz	CHFPSAVUVAUWAC-SECBINFHSA-N	-1	0	276.296	0.168	20	30		CCEDRM
CCCn1cc(C([O-])=C(C#N)c2nccn2C)nn1	ZINC001342166184	922842728	/nfs/dbraw/zinc/84/27/28/922842728.db2.gz	OICTYOUJGWLBJM-SECBINFHSA-N	-1	0	258.285	0.912	20	30		CCEDRM
COCCNC(=O)C(C#N)=C([O-])c1ccnc(Cl)c1	ZINC001342607609	923023564	/nfs/dbraw/zinc/02/35/64/923023564.db2.gz	SLSCCSPSKULHJH-SECBINFHSA-N	-1	0	281.699	0.820	20	30		CCEDRM
C=CCNC(=O)C(C#N)=C([O-])c1coc(C(N)=O)c1	ZINC001343364685	923285315	/nfs/dbraw/zinc/28/53/15/923285315.db2.gz	CQQXSYJTSFGUGH-MRVPVSSYSA-N	-1	0	261.237	0.003	20	30		CCEDRM
C=CCNC(=O)C(C#N)=C([O-])c1cnc(COC)s1	ZINC001343388260	923291610	/nfs/dbraw/zinc/29/16/10/923291610.db2.gz	ZPTBJAQYVRBDRE-MRVPVSSYSA-N	-1	0	279.321	0.914	20	30		CCEDRM
COCc1ncsc1C([O-])=C(C#N)C(=O)NC1CC1	ZINC001343476815	923338140	/nfs/dbraw/zinc/33/81/40/923338140.db2.gz	HBJRBEOHPKVYJE-QMMMGPOBSA-N	-1	0	279.321	0.891	20	30		CCEDRM
COCCNC(=O)C(C#N)=C([O-])c1cc2n(n1)CCCC2	ZINC001343493463	923347483	/nfs/dbraw/zinc/34/74/83/923347483.db2.gz	YMGQCXLFIFVTDR-LLVKDONJSA-N	-1	0	290.323	0.304	20	30		CCEDRM
CNC(=O)C(C#N)=C([O-])c1cc(C)n(C2CCOCC2)n1	ZINC001343500639	923352973	/nfs/dbraw/zinc/35/29/73/923352973.db2.gz	KKQINVJPWJOIKF-NSHDSACASA-N	-1	0	290.323	0.612	20	30		CCEDRM
C=CCNC(=O)C(C#N)=C([O-])c1cc(Cl)n(C)n1	ZINC001343511106	923357758	/nfs/dbraw/zinc/35/77/58/923357758.db2.gz	YTYHFQKQWHHONM-SSDOTTSWSA-N	-1	0	266.688	0.698	20	30		CCEDRM
CC[C@H](C)n1nccc1C([O-])=C(C#N)C(=O)NCCOC	ZINC001343582391	923380119	/nfs/dbraw/zinc/38/01/19/923380119.db2.gz	KKUISGBEMVOYGI-QWRGUYRKSA-N	-1	0	292.339	0.939	20	30		CCEDRM
Cn1cc(C([O-])=C(C#N)C(=O)c2nccn2C)cn1	ZINC001344008156	923529432	/nfs/dbraw/zinc/52/94/32/923529432.db2.gz	TVKGTPAOALEFHU-VIFPVBQESA-N	-1	0	257.253	0.359	20	30		CCEDRM
C#C[C@H](NC(=O)[C@H]1C[C@@H](C(=O)[O-])C1)C1CCOCC1	ZINC001344551716	923635257	/nfs/dbraw/zinc/63/52/57/923635257.db2.gz	VJBOOOZNAZRDBJ-TUAOUCFPSA-N	-1	0	265.309	0.642	20	30		CCEDRM
Cn1ccnc1C(=O)C(C#N)=C([O-])c1cnn2ccncc12	ZINC001344642187	923657430	/nfs/dbraw/zinc/65/74/30/923657430.db2.gz	MTTIAOYYJRXFEH-VIFPVBQESA-N	-1	0	294.274	0.668	20	30		CCEDRM
Cc1[nH]c(C=NNC2CCS(=O)(=O)CC2)cc1C(=O)[O-]	ZINC001344640678	923658736	/nfs/dbraw/zinc/65/87/36/923658736.db2.gz	ZDSKCMUCKXQVFC-UHFFFAOYSA-N	-1	0	299.352	0.522	20	30		CCEDRM
C#CC[C@H](NC(=O)c1cnn(CCC)c1C)C(=O)[O-]	ZINC001345780086	923975049	/nfs/dbraw/zinc/97/50/49/923975049.db2.gz	JOHRXRBHVZLHQV-NSHDSACASA-N	-1	0	263.297	0.808	20	30		CCEDRM
Cc1nn(C)cc1C([O-])=C(C#N)C(=O)c1nccn1C	ZINC001347107904	924374490	/nfs/dbraw/zinc/37/44/90/924374490.db2.gz	PBNXFUIOUCDRQY-VIFPVBQESA-N	-1	0	271.280	0.667	20	30		CCEDRM
C=C[C@@H](C)O[N-]C(=O)Cc1n[nH]c(C2CCOCC2)n1	ZINC001347204556	924397491	/nfs/dbraw/zinc/39/74/91/924397491.db2.gz	AIRQEPKVUIZZRF-SECBINFHSA-N	-1	0	280.328	0.864	20	30		CCEDRM
Cn1ccnc1C([O-])=C(C#N)C(=O)[C@@]1(F)CCOC1	ZINC001347202466	924397725	/nfs/dbraw/zinc/39/77/25/924397725.db2.gz	CFPFMOPDFAURNQ-PRHODGIISA-N	-1	0	265.244	0.440	20	30		CCEDRM
C=C(C)C[C@@H](NC(=O)[C@@H]1[C@H]2CCCO[C@H]21)C(=O)[O-]	ZINC001349944765	925101794	/nfs/dbraw/zinc/10/17/94/925101794.db2.gz	RIDWCIQUOAANBF-GWOFURMSSA-N	-1	0	253.298	0.947	20	30		CCEDRM
C=C[C@H](C)O[N-]C(=O)[C@@H](NC(=O)OC(C)(C)C)[C@@H](C)O	ZINC001349968248	925108412	/nfs/dbraw/zinc/10/84/12/925108412.db2.gz	BBPJLOIDNLFRHW-AEJSXWLSSA-N	-1	0	288.344	0.883	20	30		CCEDRM
C#CCCN1CCN(C(=O)C2(C(=O)[O-])CC2)CC1	ZINC001350794935	925282873	/nfs/dbraw/zinc/28/28/73/925282873.db2.gz	AHWGASLPIAGOKB-UHFFFAOYSA-N	-1	0	250.298	0.019	20	30		CCEDRM
Cc1oc(C=NN2CCN(C)CC2)cc1C(=O)[O-]	ZINC001352726741	925622117	/nfs/dbraw/zinc/62/21/17/925622117.db2.gz	RPLZGCGSMBECGZ-UHFFFAOYSA-N	-1	0	251.286	0.868	20	30		CCEDRM
C#CCN(CC#C)c1nnc(-c2cc(=O)n(C)[n-]2)n1CC	ZINC001352821797	925650314	/nfs/dbraw/zinc/65/03/14/925650314.db2.gz	XTMYZXVDYNHSAX-UHFFFAOYSA-N	-1	0	284.323	0.477	20	30		CCEDRM
C=CCC[C@@H](NC(=O)[C@@H](C)N1CCN(C)CC1)C(=O)[O-]	ZINC001354046576	925996878	/nfs/dbraw/zinc/99/68/78/925996878.db2.gz	FGQZYSHFVIHHGB-VXGBXAGGSA-N	-1	0	283.372	0.158	20	30		CCEDRM
CNC(=O)C(C#N)=C([O-])c1ccnn1CC(F)(F)F	ZINC001356317619	926368570	/nfs/dbraw/zinc/36/85/70/926368570.db2.gz	PYHHXFLXAPBOOE-LURJTMIESA-N	-1	0	274.202	0.514	20	30		CCEDRM
COc1nn(C)cc1C([O-])=C(C#N)C(=O)NC1CCCC1	ZINC001356349062	926371728	/nfs/dbraw/zinc/37/17/28/926371728.db2.gz	FQBUDGHPUBNRSQ-SNVBAGLBSA-N	-1	0	290.323	0.810	20	30		CCEDRM
C#C[C@@H]1CCCN(C(=O)NCCOCCOCC(=O)[O-])C1	ZINC001357183871	926493930	/nfs/dbraw/zinc/49/39/30/926493930.db2.gz	OPKKEYJIRFMHEE-GFCCVEGCSA-N	-1	0	298.339	0.159	20	30		CCEDRM
CC(C)(CC#N)CNC(=O)Cn1[n-]cc2c(=O)ncnc1-2	ZINC001361496138	927103483	/nfs/dbraw/zinc/10/34/83/927103483.db2.gz	PPJQLJSVHCOBIA-UHFFFAOYSA-N	-1	0	288.311	0.127	20	30		CCEDRM
N#Cc1ccc(CNC(=O)Cn2c(=O)[n-][nH]c2=O)c(F)c1	ZINC001361796868	927339280	/nfs/dbraw/zinc/33/92/80/927339280.db2.gz	GXVYHQWYIDUNKB-UHFFFAOYSA-N	-1	0	291.242	0.016	20	30		CCEDRM
CC(C)(C)CN(CCC#N)C(=O)Cn1c(=O)[n-][nH]c1=O	ZINC001362126663	927640520	/nfs/dbraw/zinc/64/05/20/927640520.db2.gz	WREMEXVPTSPJLA-UHFFFAOYSA-N	-1	0	281.316	0.478	20	30		CCEDRM
CCN1C[C@H](NC(=O)c2[n-]c(=O)c(C#N)cc2C)CC1=O	ZINC001362471352	928061373	/nfs/dbraw/zinc/06/13/73/928061373.db2.gz	AKRAISFVUIMIPE-SNVBAGLBSA-N	-1	0	288.307	0.318	20	30		CCEDRM
Cc1cc(C#N)c(=O)[n-]c1C(=O)N1C[C@H]2C[C@@]2(CO)C1	ZINC001362519971	928128508	/nfs/dbraw/zinc/12/85/08/928128508.db2.gz	KSAWJVJYZOSQND-YGRLFVJLSA-N	-1	0	273.292	0.422	20	30		CCEDRM
Cc1cc(C#N)c(=O)[n-]c1C(=O)N[C@H](C)C1(CO)CC1	ZINC001362663352	928323128	/nfs/dbraw/zinc/32/31/28/928323128.db2.gz	ZESUBINCSKNRTQ-SECBINFHSA-N	-1	0	275.308	0.858	20	30		CCEDRM
C[C@H](Nc1[n-]c(=O)n(C)c(=O)c1C#N)c1ccccn1	ZINC001363134933	928906463	/nfs/dbraw/zinc/90/64/63/928906463.db2.gz	HZMVCCUNDLHXCR-QMMMGPOBSA-N	-1	0	271.280	0.513	20	30		CCEDRM
Cc1noc(C)c1[C@H](C)Nc1[n-]c(=O)n(C)c(=O)c1C#N	ZINC001363147123	928920656	/nfs/dbraw/zinc/92/06/56/928920656.db2.gz	BKWJKSHEZHAODP-LURJTMIESA-N	-1	0	289.295	0.723	20	30		CCEDRM
CC(=O)N[C@@H](CC(C)C)C(=O)Nc1nc(C#N)c(C#N)[n-]1	ZINC001363159937	928931692	/nfs/dbraw/zinc/93/16/92/928931692.db2.gz	XEMMDBXUBKOCSX-VIFPVBQESA-N	-1	0	288.311	0.642	20	30		CCEDRM
COC[C@@H](Nc1[n-]c(=O)n(C)c(=O)c1C#N)c1ccco1	ZINC001363725289	929522150	/nfs/dbraw/zinc/52/21/50/929522150.db2.gz	CTHPZZGOUFLRGQ-SECBINFHSA-N	-1	0	290.279	0.338	20	30		CCEDRM
Cn1c(=O)[n-]c(N[C@H](CO)c2ccccc2)c(C#N)c1=O	ZINC001363743697	929539670	/nfs/dbraw/zinc/53/96/70/929539670.db2.gz	SMYBNUDIBFQRFS-LLVKDONJSA-N	-1	0	286.291	0.091	20	30		CCEDRM
Cc1cc(C#N)c(=O)[n-]c1C(=O)N(C)CC[C@@H](C)O	ZINC001445415758	930129132	/nfs/dbraw/zinc/12/91/32/930129132.db2.gz	PSUHKKREIQZQQF-SECBINFHSA-N	-1	0	263.297	0.810	20	30		CCEDRM
C#CCN(CC#N)C(=O)c1cccc(-c2nc(=O)o[n-]2)c1	ZINC001448184238	930846219	/nfs/dbraw/zinc/84/62/19/930846219.db2.gz	FYQFGOIVVRAFOC-UHFFFAOYSA-N	-1	0	282.259	0.629	20	30		CCEDRM
Cc1nn(CCC#N)c(C)c1CCC(=O)OCC(=O)[O-]	ZINC001600783637	970864106	/nfs/dbraw/zinc/86/41/06/970864106.db2.gz	SFSIQSPKBSZUMQ-UHFFFAOYSA-N	-1	0	279.296	0.974	20	30		CCEDRM
N#CCCn1ccc(NC(=O)N[C@H]2C[C@@H](C(=O)[O-])C2)n1	ZINC001601070647	970927424	/nfs/dbraw/zinc/92/74/24/970927424.db2.gz	UTALBQSASSEAJP-DTORHVGOSA-N	-1	0	277.284	0.781	20	30		CCEDRM
N#Cc1ccc2ncc(CN3CC(C(=O)[O-])C3)n2c1	ZINC001611299717	970982151	/nfs/dbraw/zinc/98/21/51/970982151.db2.gz	QGPIUYIOQXVFOO-UHFFFAOYSA-N	-1	0	256.265	0.722	20	30		CCEDRM
C#CC(=O)N[C@H]1CCN([C@H](C(=O)[O-])c2ccccc2)C1=O	ZINC001602671639	971234269	/nfs/dbraw/zinc/23/42/69/971234269.db2.gz	DUWSZNMQYWQCFP-AAEUAGOBSA-N	-1	0	286.287	0.163	20	30		CCEDRM
C#C[C@@H](Cc1ccccc1)OC(=O)COCC(=O)[O-]	ZINC001602673526	971240283	/nfs/dbraw/zinc/24/02/83/971240283.db2.gz	WITOGAUNGBNHIL-LBPRGKRZSA-N	-1	0	262.261	0.875	20	30		CCEDRM
C#CC[C@H](CCOC)NC(=O)N(C)CCCC(=O)[O-]	ZINC001602674774	971243424	/nfs/dbraw/zinc/24/34/24/971243424.db2.gz	CYRSONDJKKCXOI-LLVKDONJSA-N	-1	0	270.329	0.921	20	30		CCEDRM
C#CC1CCN(C(=O)[C@H]2CCCN(CC(=O)[O-])C2=O)CC1	ZINC001602674882	971243915	/nfs/dbraw/zinc/24/39/15/971243915.db2.gz	DLABXPVPXQAXKT-GFCCVEGCSA-N	-1	0	292.335	0.181	20	30		CCEDRM
C#CCCCn1nnnc1N1CCC[C@H](C(=O)[O-])C1	ZINC001602675573	971250819	/nfs/dbraw/zinc/25/08/19/971250819.db2.gz	AWBUGLANVFGTTI-JTQLQIEISA-N	-1	0	263.301	0.388	20	30		CCEDRM
C#CCN(CC(=O)[O-])C(=O)N[C@@H]1CCn2ccnc21	ZINC001602683889	971276562	/nfs/dbraw/zinc/27/65/62/971276562.db2.gz	LEQLVXUITRYUDF-SECBINFHSA-N	-1	0	262.269	0.057	20	30		CCEDRM
C#CCN(CC(=O)[O-])C(=O)c1nc2ccccc2c(=O)[nH]1	ZINC001602692415	971303254	/nfs/dbraw/zinc/30/32/54/971303254.db2.gz	OKFBHHKMLILJKS-UHFFFAOYSA-N	-1	0	285.259	0.083	20	30		CCEDRM
C#CCN(CC(=O)[O-])C[C@H](O)COc1cccc(C)c1	ZINC001602695790	971312186	/nfs/dbraw/zinc/31/21/86/971312186.db2.gz	SPPFEWSOGAMNDF-ZDUSSCGKSA-N	-1	0	277.320	0.755	20	30		CCEDRM
C#CCN(CC(=O)[O-])Cc1cc(C(=O)OC)c(C)n1C	ZINC001602695955	971313593	/nfs/dbraw/zinc/31/35/93/971313593.db2.gz	YSZRKWVTVRCLSS-UHFFFAOYSA-N	-1	0	278.308	0.640	20	30		CCEDRM
C#CCN(CC(=O)[O-])Cc1cnc(N2CCOCC2)s1	ZINC001602699375	971317179	/nfs/dbraw/zinc/31/71/79/971317179.db2.gz	QFQQXWJKNGOMOA-UHFFFAOYSA-N	-1	0	295.364	0.500	20	30		CCEDRM
C=CCCc1nc(-c2cn(CC(=O)[O-])c(=O)[nH]c2=O)no1	ZINC001602722001	971385744	/nfs/dbraw/zinc/38/57/44/971385744.db2.gz	NXUMJMHCOLAFJS-UHFFFAOYSA-N	-1	0	292.251	0.202	20	30		CCEDRM
C=CCNC(=O)[C@H](C)OC(=O)[C@H](C(=O)[O-])C(C)C	ZINC001602723017	971392039	/nfs/dbraw/zinc/39/20/39/971392039.db2.gz	IIGYMIVKYORSHJ-IUCAKERBSA-N	-1	0	257.286	0.577	20	30		CCEDRM
C=CCn1nnn(CN2C[C@@H](C)C[C@H](C(=O)[O-])C2)c1=S	ZINC001602731204	971412607	/nfs/dbraw/zinc/41/26/07/971412607.db2.gz	YCZKJOQPGGYZPK-UWVGGRQHSA-N	-1	0	297.384	0.995	20	30		CCEDRM
CC#CC[C@H](CO)NC(=O)C1(C(=O)[O-])CCSCC1	ZINC001602735203	971417741	/nfs/dbraw/zinc/41/77/41/971417741.db2.gz	VFNDNWWOXMUNER-SNVBAGLBSA-N	-1	0	285.365	0.475	20	30		CCEDRM
C[C@@](C#N)(CC(=O)[O-])C(=O)N1CCC[C@H]2[C@@H]1C(C)(C)[C@H]2O	ZINC001602778182	971510582	/nfs/dbraw/zinc/51/05/82/971510582.db2.gz	CKGHTZRLIFBYER-LIBKGXAOSA-N	-1	0	294.351	0.999	20	30		CCEDRM
C[C@](C#N)(CC(=O)[O-])C(=O)N1CC[C@H]2COC[C@@H]2C1	ZINC001602778119	971510787	/nfs/dbraw/zinc/51/07/87/971510787.db2.gz	BPJNKRLBOXNWQM-OUJBWJOFSA-N	-1	0	266.297	0.486	20	30		CCEDRM
C[C@](C#N)(CC(=O)[O-])C(=O)OC[C@@H]1C[C@@H]2COC[C@@H]2O1	ZINC001602782537	971529466	/nfs/dbraw/zinc/52/94/66/971529466.db2.gz	VXUDYJRDXIGKEP-KEPMVKOISA-N	-1	0	283.280	0.338	20	30		CCEDRM
C#CCN(CC(=O)[O-])C(=O)NCCOCCC(C)C	ZINC000092491251	949160081	/nfs/dbraw/zinc/16/00/81/949160081.db2.gz	KOIAZUXYRUXTJQ-UHFFFAOYSA-N	-1	0	270.329	0.779	20	30		CCEDRM
C#CCN(CC(=O)[O-])C(=O)NCc1cccc(OC)c1	ZINC000092484553	949160181	/nfs/dbraw/zinc/16/01/81/949160181.db2.gz	YLMCADOKVSTRIH-UHFFFAOYSA-N	-1	0	276.292	0.925	20	30		CCEDRM
N#C[C@H]1CN(CC2(O)CCC(C(=O)[O-])CC2)CCO1	ZINC000236427732	949900648	/nfs/dbraw/zinc/90/06/48/949900648.db2.gz	GYOZOZAJTYCKPX-AKJDGMEZSA-N	-1	0	268.313	0.217	20	30		CCEDRM
CCCn1ncnc1COC(=O)[C@@](C)(C#N)CC(=O)[O-]	ZINC001589697406	950182435	/nfs/dbraw/zinc/18/24/35/950182435.db2.gz	SCATZIGIOPNFJV-GFCCVEGCSA-N	-1	0	280.284	0.736	20	30		CCEDRM
C[C@H](C(=O)OCCCC(=O)[O-])n1cnc(C#N)n1	ZINC001602830528	971652354	/nfs/dbraw/zinc/65/23/54/971652354.db2.gz	RSIDIJSCSXZMFN-SSDOTTSWSA-N	-1	0	252.230	0.119	20	30		CCEDRM
CCN(C[C@H](C)C#N)C(=O)[C@]1(C(=O)[O-])CCCO1	ZINC001589719617	950402091	/nfs/dbraw/zinc/40/20/91/950402091.db2.gz	FOWAOPGYWCRTAB-SKDRFNHKSA-N	-1	0	254.286	0.628	20	30		CCEDRM
CCN(C[C@H](C)C#N)C(=O)COC(=O)C(C)(C)C(=O)[O-]	ZINC001589719362	950402306	/nfs/dbraw/zinc/40/23/06/950402306.db2.gz	DOIPHTKXASQTKG-SECBINFHSA-N	-1	0	284.312	0.649	20	30		CCEDRM
CCN(C[C@H](C)C#N)C(=O)CN(CC(=O)[O-])CC1CC1	ZINC001589719335	950402615	/nfs/dbraw/zinc/40/26/15/950402615.db2.gz	CVBQQHKYCAJSGJ-LLVKDONJSA-N	-1	0	281.356	0.791	20	30		CCEDRM
CCN(C[C@H](C)C#N)C(=O)CN1CCC[C@@]1(C)C(=O)[O-]	ZINC001589720451	950415871	/nfs/dbraw/zinc/41/58/71/950415871.db2.gz	POORNBOIQYODOS-RISCZKNCSA-N	-1	0	281.356	0.934	20	30		CCEDRM
CCN(CCC#N)C(=O)CN1CCC[C@H](C)[C@@H]1C(=O)[O-]	ZINC001589729899	950488935	/nfs/dbraw/zinc/48/89/35/950488935.db2.gz	GNVAHOAOJDDLAD-WCQYABFASA-N	-1	0	281.356	0.934	20	30		CCEDRM
CCOC(=O)c1cccc(C=NNCCC(=O)[O-])n1	ZINC001591176286	951087258	/nfs/dbraw/zinc/08/72/58/951087258.db2.gz	KGTGFHLAEYOQES-UHFFFAOYSA-N	-1	0	265.269	0.657	20	30		CCEDRM
C#CCN(CC(=O)[O-])C(=O)NCc1nccn1CC	ZINC000385551508	951283748	/nfs/dbraw/zinc/28/37/48/951283748.db2.gz	XBWUHBHEIJGNNH-UHFFFAOYSA-N	-1	0	264.285	0.132	20	30		CCEDRM
C[C@@H]1C[C@@H](C(=O)[O-])CN(C(=O)[C@@]2(C#N)CCCOC2)C1	ZINC001589268591	953388364	/nfs/dbraw/zinc/38/83/64/953388364.db2.gz	MEOSMKIYDWGNPP-JTNHKYCSSA-N	-1	0	280.324	0.876	20	30		CCEDRM
O=C([O-])[C@]1(C(=O)NCC#Cc2ccccc2)CCCO1	ZINC001594856290	954238021	/nfs/dbraw/zinc/23/80/21/954238021.db2.gz	SCJDBPQLCDPVSY-OAHLLOKOSA-N	-1	0	273.288	0.788	20	30		CCEDRM
CC[C@H](C(=O)[O-])N(C)CC(=O)N[C@@](C)(C#N)C1CC1	ZINC001589440614	954706524	/nfs/dbraw/zinc/70/65/24/954706524.db2.gz	AMXWOXUHNFDIGO-MFKMUULPSA-N	-1	0	267.329	0.590	20	30		CCEDRM
C/N=C1/NC(=O)/C(=C\c2cc(C(=O)[O-])nn2C)S1	ZINC001593797516	954819417	/nfs/dbraw/zinc/81/94/17/954819417.db2.gz	LWXBEIOXXMDIQK-QPJJXVBHSA-N	-1	0	266.282	0.308	20	30		CCEDRM
CNc1ccc(C#N)cc1NC(=O)[C@@H](OC)C(=O)[O-]	ZINC001593803099	954860084	/nfs/dbraw/zinc/86/00/84/954860084.db2.gz	DBCRHCFPCPVJFZ-SNVBAGLBSA-N	-1	0	263.253	0.638	20	30		CCEDRM
CC(C)C[C@@H](NC(=O)[C@H](C)n1cnc(C#N)n1)C(=O)[O-]	ZINC001603032330	972093027	/nfs/dbraw/zinc/09/30/27/972093027.db2.gz	FJNNXPMAARMRDN-DTWKUNHWSA-N	-1	0	279.300	0.326	20	30		CCEDRM
Cn1c(C#N)ccc1C(=O)N1CCC[C@]1(C)C(=O)[O-]	ZINC001594524319	955492267	/nfs/dbraw/zinc/49/22/67/955492267.db2.gz	JBCZBZHLHOPLGC-CYBMUJFWSA-N	-1	0	261.281	0.976	20	30		CCEDRM
CC(C)NC(=O)NCCOC(=O)[C@@](C)(C#N)CC(=O)[O-]	ZINC001603068687	972136469	/nfs/dbraw/zinc/13/64/69/972136469.db2.gz	WBBJFTPJEGLXOY-GFCCVEGCSA-N	-1	0	285.300	0.242	20	30		CCEDRM
CO[C@@H](C(=O)[O-])C(=O)Nc1ccc(F)cc1OCC#N	ZINC001593913334	955993961	/nfs/dbraw/zinc/99/39/61/955993961.db2.gz	XAHBBXPJKBUGKS-SNVBAGLBSA-N	-1	0	282.227	0.766	20	30		CCEDRM
N#CCC1CN(C(=O)C2(CC(=O)[O-])CCOCC2)C1	ZINC001594605655	956169023	/nfs/dbraw/zinc/16/90/23/956169023.db2.gz	GQKXUQVQWJCZFW-UHFFFAOYSA-N	-1	0	266.297	0.630	20	30		CCEDRM
N#C[C@@H]1CC[C@H](OC(=O)[C@@H]2CCCN(CC(=O)[O-])C2=O)C1	ZINC001594605839	956173495	/nfs/dbraw/zinc/17/34/95/956173495.db2.gz	KOLYKRNOCWUIAN-OUAUKWLOSA-N	-1	0	294.307	0.545	20	30		CCEDRM
N#CC[C@@H](NC(=O)C1(C(=O)[O-])CC1)C(F)(F)F	ZINC001594606048	956175746	/nfs/dbraw/zinc/17/57/46/956175746.db2.gz	NKKNSKHZDBWUBP-RXMQYKEDSA-N	-1	0	250.176	0.812	20	30		CCEDRM
N#CC[C@@H](OC(=O)c1cccn(CC(=O)[O-])c1=O)C1CC1	ZINC001594606120	956177011	/nfs/dbraw/zinc/17/70/11/956177011.db2.gz	PADYEGWJYBRDJF-LLVKDONJSA-N	-1	0	290.275	0.782	20	30		CCEDRM
N#CCC1(COC(=O)C2(CC(=O)[O-])CCOCC2)COC1	ZINC001594606372	956181637	/nfs/dbraw/zinc/18/16/37/956181637.db2.gz	SBMZORWVFUBOEU-UHFFFAOYSA-N	-1	0	297.307	0.731	20	30		CCEDRM
N#CC[C@H]1CCCN(CN2C[C@H](C(=O)[O-])CC2=O)C1	ZINC001594606393	956182893	/nfs/dbraw/zinc/18/28/93/956182893.db2.gz	SNMHBPKEYWKDQU-GHMZBOCLSA-N	-1	0	265.313	0.503	20	30		CCEDRM
N#CC[C@@]1(O)CCN(C(=O)C2(C(=O)[O-])CCSCC2)C1	ZINC001594606655	956186245	/nfs/dbraw/zinc/18/62/45/956186245.db2.gz	YWDSVUSYNCHAGL-GFCCVEGCSA-N	-1	0	298.364	0.461	20	30		CCEDRM
N#Cc1cc(C(=O)NC2(CC(=O)[O-])CCOCC2)c[nH]1	ZINC001594614157	956227691	/nfs/dbraw/zinc/22/76/91/956227691.db2.gz	KHYNPTZBEZSAMM-UHFFFAOYSA-N	-1	0	277.280	0.640	20	30		CCEDRM
N#Cc1cc(CNC(=O)C2(C(=O)[O-])CC=CC2)ccn1	ZINC001594615782	956236271	/nfs/dbraw/zinc/23/62/71/956236271.db2.gz	DQRXESPGSWWSJF-UHFFFAOYSA-N	-1	0	271.276	0.990	20	30		CCEDRM
C[C@@](O)(CNC(=O)C(=O)/C=C\c1ccc(F)cc1)C(=O)[O-]	ZINC001589138707	956252297	/nfs/dbraw/zinc/25/22/97/956252297.db2.gz	SXMBYGKHRXOKCD-HJHHMULASA-N	-1	0	295.266	0.360	20	30		CCEDRM
N#Cc1ccsc1NC(=O)C(=O)NCCCCC(=O)[O-]	ZINC001594631378	956340496	/nfs/dbraw/zinc/34/04/96/956340496.db2.gz	DDOFOLKUXVDMIL-UHFFFAOYSA-N	-1	0	295.320	0.929	20	30		CCEDRM
N#Cc1ncn(CC(=O)N2CCCC[C@@H]2CCC(=O)[O-])n1	ZINC001594635781	956371965	/nfs/dbraw/zinc/37/19/65/956371965.db2.gz	VDXBVLKAMFCNKG-SNVBAGLBSA-N	-1	0	291.311	0.396	20	30		CCEDRM
C[C@H](OC(=O)[C@@](C)(C#N)CC(=O)[O-])c1nncn1C	ZINC001589159409	956396081	/nfs/dbraw/zinc/39/60/81/956396081.db2.gz	TWJDTIXQLHYYQF-WRWORJQWSA-N	-1	0	266.257	0.424	20	30		CCEDRM
COC[C@H](NC(=O)[C@](C)(C#N)CC(=O)[O-])[C@@H]1CCCO1	ZINC001593957763	956451590	/nfs/dbraw/zinc/45/15/90/956451590.db2.gz	YBHZAJRKGRFNOJ-KWBADKCTSA-N	-1	0	284.312	0.301	20	30		CCEDRM
COC[C@]1(C(=O)[O-])CCN(C(=O)c2coc(C#N)c2)C1	ZINC001593966779	956557396	/nfs/dbraw/zinc/55/73/96/956557396.db2.gz	AUGIWSRHZQUMFO-ZDUSSCGKSA-N	-1	0	278.264	0.715	20	30		CCEDRM
C[C@@](C#N)(CC(=O)[O-])C(=O)NC1COC(C)(C)OC1	ZINC001589240208	956875826	/nfs/dbraw/zinc/87/58/26/956875826.db2.gz	NWTXQDFPPWRWDV-LBPRGKRZSA-N	-1	0	270.285	0.259	20	30		CCEDRM
CC(C)(NS(=O)(=O)Cc1cccc(C#N)c1)C(=O)[O-]	ZINC000040910575	957380719	/nfs/dbraw/zinc/38/07/19/957380719.db2.gz	LEYRSRDGLRUHKV-UHFFFAOYSA-N	-1	0	282.321	0.841	20	30		CCEDRM
C#CC[C@@H](NS(=O)(=O)c1ccsc1)C(=O)[O-]	ZINC000390148576	972266754	/nfs/dbraw/zinc/26/67/54/972266754.db2.gz	SEOLZLZUSITSLG-MRVPVSSYSA-N	-1	0	259.308	0.503	20	30		CCEDRM
N#Cc1ccc(F)cc1CN1CCNC(=O)[C@@H]1CC(=O)[O-]	ZINC000069401875	957651328	/nfs/dbraw/zinc/65/13/28/957651328.db2.gz	XYBUNCVISFARNW-LBPRGKRZSA-N	-1	0	291.282	0.472	20	30		CCEDRM
Cc1cc(C#N)ccc1C(=O)Nc1ncn(CC(=O)[O-])n1	ZINC001594274100	957702819	/nfs/dbraw/zinc/70/28/19/957702819.db2.gz	QIMRSOZPVMEVLX-UHFFFAOYSA-N	-1	0	285.263	0.795	20	30		CCEDRM
COCCN(CCC#N)C(=O)C[C@@H](C)CC(=O)[O-]	ZINC000071227250	957710242	/nfs/dbraw/zinc/71/02/42/957710242.db2.gz	QNULNSISACXEBC-SNVBAGLBSA-N	-1	0	256.302	0.876	20	30		CCEDRM
N#Cc1ccc(C[N@H+](CCC(=O)[O-])CC(=O)[O-])cc1	ZINC000071740818	957732759	/nfs/dbraw/zinc/73/27/59/957732759.db2.gz	OUJJVSYHNMXCLQ-UHFFFAOYSA-N	-1	0	262.265	0.920	20	30		CCEDRM
CO[C@H]1C[C@@H](COC(=O)[C@@](C)(C#N)CC(=O)[O-])C1	ZINC001594045488	957915796	/nfs/dbraw/zinc/91/57/96/957915796.db2.gz	GXOMNDDSRUEKEW-VDDIYKPWSA-N	-1	0	255.270	0.959	20	30		CCEDRM
C#C[C@H]1CCCN(C(=O)C(=O)N(C)C[C@H](C)C(=O)[O-])C1	ZINC001588385546	957971335	/nfs/dbraw/zinc/97/13/35/957971335.db2.gz	GPMREMHXBIETJE-QWRGUYRKSA-N	-1	0	280.324	0.037	20	30		CCEDRM
C#C[C@@H]1CCCN(C(=O)C(=O)NCCC(C)(C)C(=O)[O-])C1	ZINC001588385432	957971628	/nfs/dbraw/zinc/97/16/28/957971628.db2.gz	FXNYHDAQASKGKI-LLVKDONJSA-N	-1	0	294.351	0.475	20	30		CCEDRM
C#C[C@@H](NC(=O)[C@H](C(=O)[O-])C1CC1)C1CCOCC1	ZINC001588387595	957988510	/nfs/dbraw/zinc/98/85/10/957988510.db2.gz	KTMKKISOZMYSEW-VXGBXAGGSA-N	-1	0	265.309	0.642	20	30		CCEDRM
C#CC[C@H](CO)NC(=O)c1coc(/C=C\C(=O)[O-])c1	ZINC001588389019	958003143	/nfs/dbraw/zinc/00/31/43/958003143.db2.gz	KDOBOVMSUSKELN-UMCURTJPSA-N	-1	0	263.249	0.491	20	30		CCEDRM
C#CC[C@@H](NC(=O)[C@@H](C(=O)[O-])C(C)C)C(=O)OC	ZINC001588389503	958008412	/nfs/dbraw/zinc/00/84/12/958008412.db2.gz	VWOJRBJCPZSKAW-BDAKNGLRSA-N	-1	0	255.270	0.024	20	30		CCEDRM
C#CC[C@@H](CCOC)NC(=O)[C@](C)(OC)C(=O)[O-]	ZINC001588389568	958009881	/nfs/dbraw/zinc/00/98/81/958009881.db2.gz	WYPJDSPOTSRRPY-CABZTGNLSA-N	-1	0	257.286	0.021	20	30		CCEDRM
C#CCCCn1nnnc1N1CC[C@@](C)(C(=O)[O-])C1	ZINC001588390940	958017277	/nfs/dbraw/zinc/01/72/77/958017277.db2.gz	VOGKCTOGSRLHKX-GFCCVEGCSA-N	-1	0	263.301	0.388	20	30		CCEDRM
C#CCC1(O)CCN(C(=O)N[C@H]2CC[C@@H](C(=O)[O-])C2)CC1	ZINC001588391150	958019949	/nfs/dbraw/zinc/01/99/49/958019949.db2.gz	BPFFQXHBMVVELC-NEPJUHHUSA-N	-1	0	294.351	0.800	20	30		CCEDRM
C#CC[C@@H]1NC(=O)N(C[C@@H](CC(C)C)C(=O)[O-])C1=O	ZINC001588391615	958025956	/nfs/dbraw/zinc/02/59/56/958025956.db2.gz	KBCNYYMAUQPGMG-ZJUUUORDSA-N	-1	0	266.297	0.677	20	30		CCEDRM
C#CCC1(O)CCN(C(=O)c2ccc(C(=O)[O-])nc2)CC1	ZINC001588391761	958026815	/nfs/dbraw/zinc/02/68/15/958026815.db2.gz	NUWJLGJWFQKBOD-UHFFFAOYSA-N	-1	0	288.303	0.770	20	30		CCEDRM
C#CCC1(O)CCN(C(=O)NC[C@H](C)C(=O)[O-])CC1	ZINC001588391882	958029005	/nfs/dbraw/zinc/02/90/05/958029005.db2.gz	QNSJUBIGORAYKW-JTQLQIEISA-N	-1	0	268.313	0.267	20	30		CCEDRM
C#CCN(CC(=O)[O-])C(=O)C(C)(C)c1ccccn1	ZINC001588397326	958054730	/nfs/dbraw/zinc/05/47/30/958054730.db2.gz	DPEPGGJWPFTNQD-UHFFFAOYSA-N	-1	0	260.293	0.906	20	30		CCEDRM
C#CCN(CC(=O)[O-])C(=O)[C@H]1CC12CC(OCC)C2	ZINC001588400441	958081982	/nfs/dbraw/zinc/08/19/82/958081982.db2.gz	XWBNRJRGSIIKNI-IQLKVPPVSA-N	-1	0	265.309	0.738	20	30		CCEDRM
C#CCCNS(=O)(=O)c1ccc(C(=O)[O-])cc1F	ZINC000092114771	958157677	/nfs/dbraw/zinc/15/76/77/958157677.db2.gz	NHNVDQOZEKSMOV-UHFFFAOYSA-N	-1	0	271.269	0.826	20	30		CCEDRM
C#CCN(CC(=O)[O-])C(=O)c1ccc(-n2cncn2)cc1	ZINC001588416131	958161342	/nfs/dbraw/zinc/16/13/42/958161342.db2.gz	HPTLLCTUMMGWHX-UHFFFAOYSA-N	-1	0	284.275	0.427	20	30		CCEDRM
C#CCN(CC(=O)[O-])C(=O)c1ccc(N(C)C(C)=O)cc1	ZINC001588416479	958164337	/nfs/dbraw/zinc/16/43/37/958164337.db2.gz	PTNLUIXDJLWHRG-UHFFFAOYSA-N	-1	0	288.303	0.829	20	30		CCEDRM
C#CCN(CC(=O)[O-])C(=O)c1cc(C(C)(C)C)nn1C	ZINC001588417301	958168728	/nfs/dbraw/zinc/16/87/28/958168728.db2.gz	HAJKBBPILFJLSM-UHFFFAOYSA-N	-1	0	277.324	0.878	20	30		CCEDRM
C#CCN(CC(=O)[O-])C(=O)c1cc(C(N)=O)cs1	ZINC001588417615	958176162	/nfs/dbraw/zinc/17/61/62/958176162.db2.gz	ZJPKHNFBZJUJBJ-UHFFFAOYSA-N	-1	0	266.278	0.007	20	30		CCEDRM
C#CCN(CC(=O)[O-])C(=O)c1cn2c(n1)C[C@H](OC)CC2	ZINC001588418459	958179598	/nfs/dbraw/zinc/17/95/98/958179598.db2.gz	HEFVYHGHSLJUPH-SNVBAGLBSA-N	-1	0	291.307	0.004	20	30		CCEDRM
C#CCN(CC(=O)[O-])C(=O)c1nccnc1SC	ZINC001588418531	958180384	/nfs/dbraw/zinc/18/03/84/958180384.db2.gz	KVBQNEXNNKRLDN-UHFFFAOYSA-N	-1	0	265.294	0.359	20	30		CCEDRM
C#CCN(CC(=O)[O-])[C@H](C)C(=O)NCc1ccccc1	ZINC001588420128	958199473	/nfs/dbraw/zinc/19/94/73/958199473.db2.gz	MRLLDUISCMUZCA-GFCCVEGCSA-N	-1	0	274.320	0.711	20	30		CCEDRM
C#CCN(CC(=O)[O-])Cc1ccccc1C(=O)OC	ZINC001588424261	958213227	/nfs/dbraw/zinc/21/32/27/958213227.db2.gz	MJMWHGRUSDLJNW-UHFFFAOYSA-N	-1	0	261.277	0.993	20	30		CCEDRM
C#CCN(CC(=O)[O-])Cc1cc2c(cn1)OCCO2	ZINC001588424323	958213845	/nfs/dbraw/zinc/21/38/45/958213845.db2.gz	OHSBHYOUZXLGDE-UHFFFAOYSA-N	-1	0	262.265	0.373	20	30		CCEDRM
C#CCN(CC(=O)[O-])c1nnc([C@]2(C)CCCO2)n1CC	ZINC001588426937	958237163	/nfs/dbraw/zinc/23/71/63/958237163.db2.gz	HMMIZYRIFQHZKJ-AWEZNQCLSA-N	-1	0	292.339	0.848	20	30		CCEDRM
C#CCN(CC(=O)[O-])c1nnnn1CCC1(OC)CCC1	ZINC001588427184	958241719	/nfs/dbraw/zinc/24/17/19/958241719.db2.gz	PSDSZGQPBOIIOT-UHFFFAOYSA-N	-1	0	293.327	0.157	20	30		CCEDRM
C#CCN(CC(=O)[O-])c1nnc([C@@H](O)CC(C)C)n1C	ZINC001588427331	958244552	/nfs/dbraw/zinc/24/45/52/958244552.db2.gz	ULJQLXNYDRCGJX-JTQLQIEISA-N	-1	0	280.328	0.419	20	30		CCEDRM
C#CCN1CCC[C@H](NC(=O)N[C@H]2C[C@H](C(=O)[O-])C2)C1	ZINC001588430446	958255066	/nfs/dbraw/zinc/25/50/66/958255066.db2.gz	LVIAKAPFMVBCSN-SRVKXCTJSA-N	-1	0	279.340	0.246	20	30		CCEDRM
C#CCNC(=O)C1CCN(C(=O)CCCC(=O)[O-])CC1	ZINC001588430555	958258287	/nfs/dbraw/zinc/25/82/87/958258287.db2.gz	NIUQFACYVCHBPG-UHFFFAOYSA-N	-1	0	280.324	0.229	20	30		CCEDRM
Cc1oc(CNC(=O)N2CCO[C@H](C#N)C2)cc1C(=O)[O-]	ZINC000093937416	958259410	/nfs/dbraw/zinc/25/94/10/958259410.db2.gz	YAATUSDYAAKOQB-SNVBAGLBSA-N	-1	0	293.279	0.720	20	30		CCEDRM
C#CCOCCNC(=O)c1coc(/C=C\C(=O)[O-])c1	ZINC001588431283	958266858	/nfs/dbraw/zinc/26/68/58/958266858.db2.gz	MSRFQFNXFLHXKD-ARJAWSKDSA-N	-1	0	263.249	0.757	20	30		CCEDRM
C#CCN(CC[S@@](=O)C(F)(F)F)CC(=O)[O-]	ZINC001588432372	958281530	/nfs/dbraw/zinc/28/15/30/958281530.db2.gz	OOOKATMGCIOWPJ-MRXNPFEDSA-N	-1	0	257.233	0.275	20	30		CCEDRM
C#CCN(CC1CC1)C(=O)c1cc(C(=O)[O-])nn1C	ZINC001588432461	958284052	/nfs/dbraw/zinc/28/40/52/958284052.db2.gz	WGFATVQMMZKLGM-UHFFFAOYSA-N	-1	0	261.281	0.604	20	30		CCEDRM
C#CCOc1ccccc1NC(=O)C(=O)N[C@H](C)C(=O)[O-]	ZINC001588433377	958295268	/nfs/dbraw/zinc/29/52/68/958295268.db2.gz	KXNALDNOMOYSHT-SECBINFHSA-N	-1	0	290.275	0.226	20	30		CCEDRM
C=C(C)CONC(=O)NCC1(C(=O)[O-])CCOCC1	ZINC001588440414	958331541	/nfs/dbraw/zinc/33/15/41/958331541.db2.gz	ZAMDGZDFYZDJIU-UHFFFAOYSA-N	-1	0	272.301	0.675	20	30		CCEDRM
C=C(C)Cn1c([C@@H](C)O)nnc1N1CC[C@@H](C(=O)[O-])C1	ZINC001588443911	958358571	/nfs/dbraw/zinc/35/85/71/958358571.db2.gz	ZWWJAUKKNPWVSF-NXEZZACHSA-N	-1	0	280.328	0.818	20	30		CCEDRM
C=C(CCC(=O)OC)C(=O)N(CC(=O)[O-])CC1CC1	ZINC001588444714	958365614	/nfs/dbraw/zinc/36/56/14/958365614.db2.gz	OTQTWURXCLECDL-UHFFFAOYSA-N	-1	0	269.297	0.819	20	30		CCEDRM
C=C(C)Cn1nnnc1N1CCC[C@H](CC(=O)[O-])C1	ZINC001588444857	958367177	/nfs/dbraw/zinc/36/71/77/958367177.db2.gz	VORKRKAHCNCUKM-SNVBAGLBSA-N	-1	0	265.317	0.940	20	30		CCEDRM
C=C1C[C@H]2CC[C@@H](C1)N2C(=O)C(=O)NC[C@H](C)C(=O)[O-]	ZINC001588445524	958373781	/nfs/dbraw/zinc/37/37/81/958373781.db2.gz	KKERQRWGJNKLCT-GARJFASQSA-N	-1	0	280.324	0.533	20	30		CCEDRM
C=C[C@@H]1CCCCN1C(=O)[C@@H]1CC(C(=O)[O-])=NO1	ZINC001588451976	958417410	/nfs/dbraw/zinc/41/74/10/958417410.db2.gz	GOGOTZFLKUNVCU-SCZZXKLOSA-N	-1	0	252.270	0.783	20	30		CCEDRM
C=C[C@H](O)C(=O)N[C@H](C)[C@@H]1C[C@H](C(=O)[O-])C1(C)C	ZINC001588452341	958422223	/nfs/dbraw/zinc/42/22/23/958422223.db2.gz	NXQASRCXHANSLK-RGOKHQFPSA-N	-1	0	255.314	0.785	20	30		CCEDRM
C=C/C=C\CCn1c(=O)c(C#N)cn(CC(=O)[O-])c1=O	ZINC001588453065	958431504	/nfs/dbraw/zinc/43/15/04/958431504.db2.gz	UTTCDZASMSTACW-ARJAWSKDSA-N	-1	0	275.264	0.099	20	30		CCEDRM
C#CCN(CC(=O)[O-])C(=O)C[C@@H](CNC(C)=O)CC(C)C	ZINC001573317040	958446664	/nfs/dbraw/zinc/44/66/64/958446664.db2.gz	AFUXUVAHLUOLFJ-ZDUSSCGKSA-N	-1	0	296.367	0.721	20	30		CCEDRM
C=CCC[C@@H](C)OC(=O)c1cn(CC(=O)[O-])nn1	ZINC001588457326	958448178	/nfs/dbraw/zinc/44/81/78/958448178.db2.gz	VFKOQKKULUIXOC-MRVPVSSYSA-N	-1	0	253.258	0.874	20	30		CCEDRM
C=CCN(C)C(=O)C(=O)Nc1cccnc1C(=O)[O-]	ZINC001588463378	958484452	/nfs/dbraw/zinc/48/44/52/958484452.db2.gz	OQKWQFJNDIUWQS-UHFFFAOYSA-N	-1	0	263.253	0.363	20	30		CCEDRM
C=CCOC[C@H]1NC(=O)N(CC2(C(=O)[O-])CCC2)C1=O	ZINC001588465149	958496599	/nfs/dbraw/zinc/49/65/99/958496599.db2.gz	MGZFQLKEUFNYIT-SECBINFHSA-N	-1	0	282.296	0.364	20	30		CCEDRM
C=CCn1c(-c2cn[nH]c2)nnc1N1CC[C@@H](C(=O)[O-])C1	ZINC001588470308	958524516	/nfs/dbraw/zinc/52/45/16/958524516.db2.gz	JFGIBNVIOKOXNS-SECBINFHSA-N	-1	0	288.311	0.765	20	30		CCEDRM
C=C[C@@H]1OCC[C@H]1NC(=O)[C@]1(C(=O)[O-])CC1(C)C	ZINC001573339461	958529838	/nfs/dbraw/zinc/52/98/38/958529838.db2.gz	DMKCBRBLAYPFFE-ZDMBXUJBSA-N	-1	0	253.298	0.947	20	30		CCEDRM
C=CCn1c(CCOC)nnc1N1CCC(C(=O)[O-])CC1	ZINC001588471500	958534137	/nfs/dbraw/zinc/53/41/37/958534137.db2.gz	ABWZFCRGRCUTPY-UHFFFAOYSA-N	-1	0	294.355	0.954	20	30		CCEDRM
C=CCn1c(CCOC)nnc1N1CC[C@@](C)(C(=O)[O-])C1	ZINC001588471635	958535554	/nfs/dbraw/zinc/53/55/54/958535554.db2.gz	CQCHNLRRLGMNOK-CQSZACIVSA-N	-1	0	294.355	0.954	20	30		CCEDRM
C=CCn1c(N2CCC[C@@H](C(=O)[O-])C2)nnc1C1(O)CC1	ZINC001588471847	958537553	/nfs/dbraw/zinc/53/75/53/958537553.db2.gz	DYHSLQROWHXWAW-SNVBAGLBSA-N	-1	0	292.339	0.747	20	30		CCEDRM
C=CCn1c(N2CC[C@@H](C(=O)[O-])C2)nnc1[C@@](C)(O)CC	ZINC001588472985	958548617	/nfs/dbraw/zinc/54/86/17/958548617.db2.gz	VICGQJOBFVGIQV-YGRLFVJLSA-N	-1	0	294.355	0.993	20	30		CCEDRM
C=C[C@@H]1OCC[C@H]1C(=O)N1C[C@@H]2COC[C@]2(C(=O)[O-])C1	ZINC001588478265	958562022	/nfs/dbraw/zinc/56/20/22/958562022.db2.gz	ATNNIJZDUGVIQT-NJBDSQKTSA-N	-1	0	281.308	0.137	20	30		CCEDRM
CC#CCNC(=O)NC[C@@H]1CCC2(CC(C(=O)[O-])C2)O1	ZINC001588478778	958572118	/nfs/dbraw/zinc/57/21/18/958572118.db2.gz	LGEBTZOMFOQVHA-CVZZAPKMSA-N	-1	0	280.324	0.721	20	30		CCEDRM
C[C@@](C#N)(CC(=O)[O-])C(=O)N[C@@H]1CCn2ccnc21	ZINC001573365110	958618588	/nfs/dbraw/zinc/61/85/88/958618588.db2.gz	SCHJEGDMURRPIC-PELKAZGASA-N	-1	0	262.269	0.449	20	30		CCEDRM
C[C@](C#N)(CC(=O)[O-])C(=O)NCc1nc(C#N)cs1	ZINC001573365467	958622111	/nfs/dbraw/zinc/62/21/11/958622111.db2.gz	VKHWTUYLMCTJIM-LLVKDONJSA-N	-1	0	278.293	0.636	20	30		CCEDRM
C=CCCCN(C)C(=O)NCCn1cc(C(=O)[O-])nn1	ZINC000136014037	958895410	/nfs/dbraw/zinc/89/54/10/958895410.db2.gz	OGGUDGXJTIPENN-UHFFFAOYSA-N	-1	0	281.316	0.584	20	30		CCEDRM
C[C@H](C#N)CN(C)C(=O)c1cc(C(=O)[O-])nn1C	ZINC001588542830	958974181	/nfs/dbraw/zinc/97/41/81/958974181.db2.gz	DMHISWVNWPYSGD-SSDOTTSWSA-N	-1	0	250.258	0.350	20	30		CCEDRM
C#CC[C@H](NC(=O)c1c(C)nc(C(C)C)[nH]c1=O)C(=O)[O-]	ZINC000149691802	959021972	/nfs/dbraw/zinc/02/19/72/959021972.db2.gz	COBPWUFANHLTOV-VIFPVBQESA-N	-1	0	291.307	0.408	20	30		CCEDRM
C#CC[C@@H](NC(=O)c1cc([N+](=O)[O-])ccc1OC)C(=O)[O-]	ZINC000149683310	959022720	/nfs/dbraw/zinc/02/27/20/959022720.db2.gz	ZHICCYUDHDJQJE-SNVBAGLBSA-N	-1	0	292.247	0.810	20	30		CCEDRM
C[C@@H](C(=O)N[C@@H]1CC[C@H](C(=O)[O-])C1)n1cnc(C#N)n1	ZINC001588556423	959056151	/nfs/dbraw/zinc/05/61/51/959056151.db2.gz	FQCHHFCUKKIBOK-XHNCKOQMSA-N	-1	0	277.284	0.080	20	30		CCEDRM
C[C@@](C#N)(CC(=O)[O-])C(=O)NCCC[C@@H]1CCOC1	ZINC001588558420	959086447	/nfs/dbraw/zinc/08/64/47/959086447.db2.gz	TYJTXGPCAHCTOS-MFKMUULPSA-N	-1	0	268.313	0.924	20	30		CCEDRM
COC[C@H](NC(=O)[C@@H](C)Oc1ccc(C#N)cc1)C(=O)[O-]	ZINC000158368025	959091055	/nfs/dbraw/zinc/09/10/55/959091055.db2.gz	ZUGFSVGGSGLPCO-SKDRFNHKSA-N	-1	0	292.291	0.541	20	30		CCEDRM
Cc1cn(C)nc1COC(=O)[C@@](C)(C#N)CC(=O)[O-]	ZINC001594425742	959123033	/nfs/dbraw/zinc/12/30/33/959123033.db2.gz	MSCSELTXKNNORC-GFCCVEGCSA-N	-1	0	265.269	0.776	20	30		CCEDRM
Cc1cnc(COC(=O)[C@](C)(C#N)CC(=O)[O-])nc1	ZINC001594429015	959157315	/nfs/dbraw/zinc/15/73/15/959157315.db2.gz	QOWJSWGFRQVENQ-LBPRGKRZSA-N	-1	0	263.253	0.833	20	30		CCEDRM
C#CC[C@H](NS(=O)(=O)N1CCC[C@@H](C)C1)C(=O)[O-]	ZINC000161265124	959179959	/nfs/dbraw/zinc/17/99/59/959179959.db2.gz	HSDJEHWDPILUKZ-ZJUUUORDSA-N	-1	0	274.342	0.029	20	30		CCEDRM
C#CC[C@H](NC(=O)N(C)CC(F)(F)F)C(=O)[O-]	ZINC000161697093	959190175	/nfs/dbraw/zinc/19/01/75/959190175.db2.gz	CFNNYLFPIYUWTE-LURJTMIESA-N	-1	0	252.192	0.667	20	30		CCEDRM
C#CCOCCS(=O)(=O)c1ccc(C(=O)[O-])cc1	ZINC000166407655	959306554	/nfs/dbraw/zinc/30/65/54/959306554.db2.gz	KEYFLPUGCNXVDR-UHFFFAOYSA-N	-1	0	268.290	0.808	20	30		CCEDRM
C[C@](O)(CNC(=O)[C@@H](CC#N)c1ccccc1)C(=O)[O-]	ZINC001573635111	959586440	/nfs/dbraw/zinc/58/64/40/959586440.db2.gz	ZVWHBLXSNXVFED-FZMZJTMJSA-N	-1	0	276.292	0.636	20	30		CCEDRM
Cc1c(O)cc(O)c(C=NNCCC(=O)[O-])c1O	ZINC001594268593	959772712	/nfs/dbraw/zinc/77/27/12/959772712.db2.gz	IONPUGKPJFFCBV-UHFFFAOYSA-N	-1	0	254.242	0.510	20	30		CCEDRM
COc1cc(C(=O)[O-])ccc1S(=O)(=O)NCC#N	ZINC000223699277	959840374	/nfs/dbraw/zinc/84/03/74/959840374.db2.gz	UDZCZWFAZKRMQE-UHFFFAOYSA-N	-1	0	270.266	0.195	20	30		CCEDRM
C[C@@H](OC(=O)[C@@H](C(=O)[O-])C1CC1)C(=O)NC1(C#N)CCC1	ZINC001603268949	972472762	/nfs/dbraw/zinc/47/27/62/972472762.db2.gz	QYOQSCJSMBVGGP-PSASIEDQSA-N	-1	0	294.307	0.591	20	30		CCEDRM
N#Cc1cc(F)ccc1CN1C[C@@H](O)C[C@H]1C(=O)[O-]	ZINC000229089514	960056912	/nfs/dbraw/zinc/05/69/12/960056912.db2.gz	GTMSKLXRKIYUEA-RYUDHWBXSA-N	-1	0	264.256	0.717	20	30		CCEDRM
N#Cc1ccc(NC(=O)CN2C[C@@H](O)C[C@H]2C(=O)[O-])cc1	ZINC000229081065	960057665	/nfs/dbraw/zinc/05/76/65/960057665.db2.gz	ZBKHJTKDGWORBT-RYUDHWBXSA-N	-1	0	289.291	0.017	20	30		CCEDRM
C#CCCCCNS(=O)(=O)c1scnc1C(=O)[O-]	ZINC000229623298	960086806	/nfs/dbraw/zinc/08/68/06/960086806.db2.gz	ZTFVZULLYSEQAB-UHFFFAOYSA-N	-1	0	288.350	0.923	20	30		CCEDRM
COc1nn(C)cc1CNC(=O)[C@](C)(C#N)CC(=O)[O-]	ZINC001574244853	960487762	/nfs/dbraw/zinc/48/77/62/960487762.db2.gz	WXXFGMNHPVKSQW-LBPRGKRZSA-N	-1	0	280.284	0.049	20	30		CCEDRM
C[S@](=O)[C@@H]1CC[C@@H](NC(=O)[C@](C)(C#N)CC(=O)[O-])C1	ZINC001574250910	960516260	/nfs/dbraw/zinc/51/62/60/960516260.db2.gz	SMBNDDRIXTXBNQ-IRZISICESA-N	-1	0	286.353	0.407	20	30		CCEDRM
CN(CC(C)(C)C#N)C(=O)c1cccn(CC(=O)[O-])c1=O	ZINC001604121571	972519590	/nfs/dbraw/zinc/51/95/90/972519590.db2.gz	NDSTYMYRCFYNRU-UHFFFAOYSA-N	-1	0	291.307	0.555	20	30		CCEDRM
C[C@H]1C[C@@H](O)CN(C(=O)[C@](C)(C#N)CC(=O)[O-])C1	ZINC001574291406	960685763	/nfs/dbraw/zinc/68/57/63/960685763.db2.gz	SHJOESVRXVWHCO-SBMIAAHKSA-N	-1	0	254.286	0.220	20	30		CCEDRM
N#Cc1ccc(S(=O)(=O)NCc2nc(C(=O)[O-])co2)o1	ZINC001571060812	960757147	/nfs/dbraw/zinc/75/71/47/960757147.db2.gz	AMPWTXXEGXKDNH-UHFFFAOYSA-N	-1	0	297.248	0.316	20	30		CCEDRM
CC[C@H](CNC(=O)N1CC[C@](O)(CC#N)C1)C(=O)[O-]	ZINC001573798902	960806696	/nfs/dbraw/zinc/80/66/96/960806696.db2.gz	FVXLBBJVIAACQQ-BXKDBHETSA-N	-1	0	269.301	0.157	20	30		CCEDRM
C[C@@H](C(=O)[O-])N(CC(F)F)S(=O)(=O)CC(C)(C)C#N	ZINC001571066513	960833186	/nfs/dbraw/zinc/83/31/86/960833186.db2.gz	JUHYJMRUNGDKGS-ZETCQYMHSA-N	-1	0	298.311	0.906	20	30		CCEDRM
CC(C)[C@@H](C(=O)[O-])C(=O)OCC(=O)N(C)C(C)(C)C#N	ZINC001588813974	961544070	/nfs/dbraw/zinc/54/40/70/961544070.db2.gz	NVNHQHGOMWXGAW-JTQLQIEISA-N	-1	0	284.312	0.647	20	30		CCEDRM
Cn1nnc(NC(=O)[C@@](C)(C#N)CC(=O)[O-])c1C(F)F	ZINC001574474952	961643434	/nfs/dbraw/zinc/64/34/34/961643434.db2.gz	SUNWCXOJICRYJF-SNVBAGLBSA-N	-1	0	287.226	0.696	20	30		CCEDRM
N#C[C@H]1C[C@H]1C(=O)Nc1nc2n(c1C(=O)[O-])CCOC2	ZINC001574478970	961646725	/nfs/dbraw/zinc/64/67/25/961646725.db2.gz	AOYSJCUXZTYUEY-RNFRBKRXSA-N	-1	0	276.252	0.210	20	30		CCEDRM
N#C[C@]1(C(=O)N[C@H]2CC[C@@H](C(=O)[O-])C2)CCCOC1	ZINC001574480525	961663949	/nfs/dbraw/zinc/66/39/49/961663949.db2.gz	KYTBBYGKYRIBSP-GBIKHYSHSA-N	-1	0	266.297	0.676	20	30		CCEDRM
N#CCCn1ccc(NC(=O)c2cc(C(=O)[O-])n[nH]2)n1	ZINC001574480821	961667776	/nfs/dbraw/zinc/66/77/76/961667776.db2.gz	QSNSMSOYLHPMEP-UHFFFAOYSA-N	-1	0	274.240	0.470	20	30		CCEDRM
N#Cc1cc(NC(=O)N[C@H]2C[C@@H](C(=O)[O-])C2)ccn1	ZINC001574485861	961679409	/nfs/dbraw/zinc/67/94/09/961679409.db2.gz	LIZVAECMDLOHKD-OTSSQURYSA-N	-1	0	260.253	0.938	20	30		CCEDRM
N#Cc1cccc([C@@H](O)CN2CCO[C@@H](C(=O)[O-])C2)c1	ZINC001574489589	961705074	/nfs/dbraw/zinc/70/50/74/961705074.db2.gz	KPYIYTLGYZKRGM-QWHCGFSZSA-N	-1	0	276.292	0.377	20	30		CCEDRM
N#Cc1cccc([C@H](O)CN2CCO[C@@H](C(=O)[O-])C2)c1	ZINC001574489587	961705338	/nfs/dbraw/zinc/70/53/38/961705338.db2.gz	KPYIYTLGYZKRGM-CHWSQXEVSA-N	-1	0	276.292	0.377	20	30		CCEDRM
N#Cc1csc(CNC(=O)[C@H]2CC[C@H]2C(=O)[O-])n1	ZINC001574493862	961723574	/nfs/dbraw/zinc/72/35/74/961723574.db2.gz	SIZMGLVYWOMCAY-JGVFFNPUSA-N	-1	0	265.294	0.742	20	30		CCEDRM
COC(=O)[C@@H]1CC[C@H](NC(=O)[C@@](C)(C#N)CC(=O)[O-])C1	ZINC001574076893	962273620	/nfs/dbraw/zinc/27/36/20/962273620.db2.gz	VPCLDOGFDZVOBO-VYUIOLGVSA-N	-1	0	282.296	0.449	20	30		CCEDRM
COCC[C@@](C)(C#N)NC(=O)[C@@H]1CC[C@H]1C(=O)[O-]	ZINC001574142926	962596425	/nfs/dbraw/zinc/59/64/25/962596425.db2.gz	JIYHYPSIEUYXFW-LNLATYFQSA-N	-1	0	254.286	0.532	20	30		CCEDRM
C#C[C@H](CC)NC(=O)[C@H]1CC[C@@H](CCC(=O)[O-])O1	ZINC001573301918	962639640	/nfs/dbraw/zinc/63/96/40/962639640.db2.gz	GZOOTOGJRIITIQ-OUAUKWLOSA-N	-1	0	253.298	0.927	20	30		CCEDRM
C#C[C@H](NC(=O)N[C@H]1C[C@@H]2C[C@]2(C(=O)[O-])C1)[C@@H]1CCCO1	ZINC001573302547	962655210	/nfs/dbraw/zinc/65/52/10/962655210.db2.gz	NYOSGTZUAYVFDV-SQRMYFJTSA-N	-1	0	292.335	0.720	20	30		CCEDRM
C=C(Br)CN1CCS(=O)(=O)C[C@@H]1C(=O)[O-]	ZINC001573313647	962734944	/nfs/dbraw/zinc/73/49/44/962734944.db2.gz	NTKZINUXJCBTPP-SSDOTTSWSA-N	-1	0	298.158	0.079	20	30		CCEDRM
C=C(C)C[C@@H](C)C(=O)N[C@@H](C)CCNC(=O)CNC(=O)[O-]	ZINC001573319850	962747111	/nfs/dbraw/zinc/74/71/11/962747111.db2.gz	BLVCWURTKFQNRI-MNOVXSKESA-N	-1	0	299.371	0.867	20	30		CCEDRM
C=C(C)CCC(=O)N1CC[C@@H]1CNC(=O)CNC(=O)[O-]	ZINC001573324161	962781556	/nfs/dbraw/zinc/78/15/56/962781556.db2.gz	NNMZLBOUCRLFAC-SNVBAGLBSA-N	-1	0	283.328	0.327	20	30		CCEDRM
Cc1[nH]nc(NC(=O)c2ccc(C(=O)[O-])cn2)c1C#N	ZINC001574178704	962809096	/nfs/dbraw/zinc/80/90/96/962809096.db2.gz	MHZBGICCMZGOTN-UHFFFAOYSA-N	-1	0	271.236	0.935	20	30		CCEDRM
C#CC[C@@H](NS(=O)(=O)c1c(C)nn(CC)c1C)C(=O)[O-]	ZINC000275087171	962825898	/nfs/dbraw/zinc/82/58/98/962825898.db2.gz	ZVFSGCMRMPHTHF-SNVBAGLBSA-N	-1	0	299.352	0.275	20	30		CCEDRM
C=C(Cl)CN1CC([C@H](C)NC(=O)CNC(=O)[O-])C1	ZINC001573339075	962885151	/nfs/dbraw/zinc/88/51/51/962885151.db2.gz	NWBCYCIGALECEB-QMMMGPOBSA-N	-1	0	275.736	0.443	20	30		CCEDRM
C=C(Cl)CN1CC(N(C)C(=O)[C@@H]2C[C@@H]2C(=O)[O-])C1	ZINC001573339361	962889530	/nfs/dbraw/zinc/88/95/30/962889530.db2.gz	RCPFMADXEBLMCE-ZJUUUORDSA-N	-1	0	272.732	0.602	20	30		CCEDRM
C=C(Cl)CN(C)[C@@H](C)CNC(=O)CNC(=O)[O-]	ZINC001573339633	962893299	/nfs/dbraw/zinc/89/32/99/962893299.db2.gz	UMYFJRXEGWVCID-QMMMGPOBSA-N	-1	0	263.725	0.443	20	30		CCEDRM
C=C[C@](C)(CC)C(=O)N(C)[C@H](C)CNC(=O)CNC(=O)[O-]	ZINC001573347071	962945671	/nfs/dbraw/zinc/94/56/71/962945671.db2.gz	IQDKOYBTYFDHCF-QMTHXVAHSA-N	-1	0	299.371	0.819	20	30		CCEDRM
C=CCCC(=O)N(CCC(=O)[O-])CC(OC)OC	ZINC001573352531	962988706	/nfs/dbraw/zinc/98/87/06/962988706.db2.gz	FIKHEKFHLIGOFT-UHFFFAOYSA-N	-1	0	259.302	0.875	20	30		CCEDRM
C=CCCC[C@@H](NC(=O)CC1C(=O)N=CNC1=O)C(=O)[O-]	ZINC001573357763	963020119	/nfs/dbraw/zinc/02/01/19/963020119.db2.gz	SDNNPLMCOMFHJR-SECBINFHSA-N	-1	0	295.295	0.356	20	30		CCEDRM
N#Cc1cn(CC(=O)c2ccc(C(=O)[O-])cc2)nn1	ZINC001570977998	963066468	/nfs/dbraw/zinc/06/64/68/963066468.db2.gz	CQXHRVBWSRWKAP-UHFFFAOYSA-N	-1	0	256.221	0.731	20	30		CCEDRM
Cc1c[nH]nc1Cn1cc(C(=O)[O-])cc(C#N)c1=O	ZINC001570978652	963068852	/nfs/dbraw/zinc/06/88/52/963068852.db2.gz	CPWMDAKYUXZJPV-UHFFFAOYSA-N	-1	0	258.237	0.498	20	30		CCEDRM
C=C[C@@H]1OCC[C@H]1NC(=O)CCc1ocnc1C(=O)[O-]	ZINC001573379675	963110063	/nfs/dbraw/zinc/11/00/63/963110063.db2.gz	ROKQATODPXIABF-BDAKNGLRSA-N	-1	0	280.280	0.765	20	30		CCEDRM
C[C@H](c1ncc(C(=O)[O-])s1)N1CC(O)(CC#N)C1	ZINC001570990567	963153813	/nfs/dbraw/zinc/15/38/13/963153813.db2.gz	ZXYWDKNTOBZJMU-SSDOTTSWSA-N	-1	0	267.310	0.863	20	30		CCEDRM
N#Cc1cncc(CNC(=O)c2ccc(C(=O)[O-])[nH]2)c1	ZINC001570994765	963174627	/nfs/dbraw/zinc/17/46/27/963174627.db2.gz	QBIYDIXAGZKLCW-UHFFFAOYSA-N	-1	0	270.248	0.910	20	30		CCEDRM
N#Cc1cncc(CNC(=O)[C@H]2CC[C@@H](C(=O)[O-])O2)c1	ZINC001571002200	963222493	/nfs/dbraw/zinc/22/24/93/963222493.db2.gz	QLVODVODMCGJMN-MNOVXSKESA-N	-1	0	275.264	0.202	20	30		CCEDRM
N#CC1(C(=O)[O-])CCN(C(=O)[C@H]2C[C@@]23CCOC3)CC1	ZINC001571009530	963271517	/nfs/dbraw/zinc/27/15/17/963271517.db2.gz	ODPHKHUZQLFLFW-QMTHXVAHSA-N	-1	0	278.308	0.630	20	30		CCEDRM
N#CC1(CNC(=O)NCc2ncc(C(=O)[O-])s2)CC1	ZINC001571013667	963301851	/nfs/dbraw/zinc/30/18/51/963301851.db2.gz	NKBMKPSEMDYJJA-UHFFFAOYSA-N	-1	0	280.309	0.944	20	30		CCEDRM
C#CCCCC(=O)N1CC(N(C)C(=O)[C@H]2C[C@H]2C(=O)[O-])C1	ZINC001588435706	964025319	/nfs/dbraw/zinc/02/53/19/964025319.db2.gz	XKDZGRSFAXSVGK-NWDGAFQWSA-N	-1	0	292.335	0.180	20	30		CCEDRM
C#CCCCOC(=O)CN1CCC[C@@H](C(=O)[O-])C1=O	ZINC001588446399	964071939	/nfs/dbraw/zinc/07/19/39/964071939.db2.gz	GJAKIHKAPYHGBS-SNVBAGLBSA-N	-1	0	267.281	0.266	20	30		CCEDRM
C[C@@H](NC(=O)[C@H]1CC(C(=O)[O-])=NO1)c1cccc(C#N)c1	ZINC001573611200	969822439	/nfs/dbraw/zinc/82/24/39/969822439.db2.gz	IWGKQXDCDRIFBV-PRHODGIISA-N	-1	0	287.275	0.965	20	30		CCEDRM
CC[C@H](NC(=O)Nc1ccn(CCC#N)n1)C(=O)[O-]	ZINC001593620825	970123482	/nfs/dbraw/zinc/12/34/82/970123482.db2.gz	KIOIMLPUYDTCJA-QMMMGPOBSA-N	-1	0	265.273	0.781	20	30		CCEDRM
C[C@@H](C(=O)[O-])c1noc([C@H](C)n2cnc(C#N)n2)n1	ZINC001609718510	970498930	/nfs/dbraw/zinc/49/89/30/970498930.db2.gz	UWQVEZKLQSQVAU-RITPCOANSA-N	-1	0	262.229	0.330	20	30		CCEDRM
C[C@@](C#N)(CC(=O)[O-])C(=O)N1CCC(C)(CO)CC1	ZINC001610053505	970646077	/nfs/dbraw/zinc/64/60/77/970646077.db2.gz	BRYJDAITJBHGBG-ZDUSSCGKSA-N	-1	0	268.313	0.612	20	30		CCEDRM
CC[C@@H](OC(=O)[C@H](C)n1cnc(C#N)n1)C(=O)[O-]	ZINC001610152491	970687719	/nfs/dbraw/zinc/68/77/19/970687719.db2.gz	YTKVIKCEXPBEEJ-NKWVEPMBSA-N	-1	0	252.230	0.117	20	30		CCEDRM
C=CC[C@H](CO)NS(=O)(=O)c1cc(C(=O)[O-])oc1C	ZINC000321126705	970745629	/nfs/dbraw/zinc/74/56/29/970745629.db2.gz	RAQCOJPEUXUXAW-MRVPVSSYSA-N	-1	0	289.309	0.502	20	30		CCEDRM
CC1(C)C[C@]1(C#N)NC(=O)c1cccn(CC(=O)[O-])c1=O	ZINC001603322998	972655584	/nfs/dbraw/zinc/65/55/84/972655584.db2.gz	SNSKHYJTRNRVOJ-CQSZACIVSA-N	-1	0	289.291	0.355	20	30		CCEDRM
C[C@@H]1CN(c2nnc([C@@H]3C[C@H]3C#N)n2C)CC[C@@H]1C(=O)[O-]	ZINC001603470651	973338624	/nfs/dbraw/zinc/33/86/24/973338624.db2.gz	MFTFWUGXFNXOIE-VPOLOUISSA-N	-1	0	289.339	0.989	20	30		CCEDRM
Cc1nnc2n1CCN(C(=O)[C@](C)(C#N)CC(=O)[O-])[C@@H]2C	ZINC001605444455	973507760	/nfs/dbraw/zinc/50/77/60/973507760.db2.gz	IICCZVQOXFEJHM-OQPBUACISA-N	-1	0	291.311	0.494	20	30		CCEDRM
N#C[C@H](OC(=O)[C@H]1CCCN(CC(=O)[O-])C1=O)C1CC1	ZINC001605575745	973840269	/nfs/dbraw/zinc/84/02/69/973840269.db2.gz	DFFJNJYDXLFPAB-UWVGGRQHSA-N	-1	0	280.280	0.155	20	30		CCEDRM
N#CCC1(CNC(=O)N2C[C@H]3COC[C@@]3(C(=O)[O-])C2)CC1	ZINC001605581503	973857888	/nfs/dbraw/zinc/85/78/88/973857888.db2.gz	BBNXBJCKWAMYRA-HZMBPMFUSA-N	-1	0	293.323	0.423	20	30		CCEDRM
N#Cc1cc(=O)n(Cc2cccc(C(=O)[O-])c2)cn1	ZINC001605591375	973887724	/nfs/dbraw/zinc/88/77/24/973887724.db2.gz	ZCLHWKRSMJLRAY-UHFFFAOYSA-N	-1	0	255.233	0.861	20	30		CCEDRM
N#Cc1cc(NC(=O)COCC(=O)[O-])c(F)cc1F	ZINC001605592106	973893427	/nfs/dbraw/zinc/89/34/27/973893427.db2.gz	VGFVSUOGNLFJPN-UHFFFAOYSA-N	-1	0	270.191	0.876	20	30		CCEDRM
N#Cc1ccc(C(=O)N[C@]2(C(=O)[O-])CCOC2)cc1O	ZINC001605597228	973895952	/nfs/dbraw/zinc/89/59/52/973895952.db2.gz	HYRLZKHQPDPDGV-CYBMUJFWSA-N	-1	0	276.248	0.237	20	30		CCEDRM
N#CCc1cccc(C(=O)Nc2ncn(CC(=O)[O-])n2)c1	ZINC001605601519	973905330	/nfs/dbraw/zinc/90/53/30/973905330.db2.gz	QAKIROOUFGCZEG-UHFFFAOYSA-N	-1	0	285.263	0.681	20	30		CCEDRM
COc1ccc2c(c1OC)C(=NNCCC(=O)[O-])C(=O)N2	ZINC001604843860	974089750	/nfs/dbraw/zinc/08/97/50/974089750.db2.gz	YCOQVEOWMNYMRC-UHFFFAOYSA-N	-1	0	293.279	0.424	20	30		CCEDRM
CCN(CC(=O)N[C@@](C)(C#N)C1CC1)[C@H](C)C(=O)[O-]	ZINC001603724763	974163907	/nfs/dbraw/zinc/16/39/07/974163907.db2.gz	WZQOKPXGVVXYBM-RNCFNFMXSA-N	-1	0	267.329	0.590	20	30		CCEDRM
CC(C)NC(=S)NN=Cc1cc(C(=O)[O-])no1	ZINC001591660779	975396584	/nfs/dbraw/zinc/39/65/84/975396584.db2.gz	KEKPKRSZPWPLQX-UHFFFAOYSA-N	-1	0	256.287	0.579	20	30		CCEDRM
C[C@H](/C=C\C(=O)[O-])NS(=O)(=O)c1ccc(C#N)s1	ZINC001592213429	977273647	/nfs/dbraw/zinc/27/36/47/977273647.db2.gz	XQPWNVNQOLCOIT-DQZUBPPWSA-N	-1	0	286.334	0.927	20	30		CCEDRM
C[C@](CC(=O)[O-])(NCC(=O)NCCC#N)c1ccccn1	ZINC001592323808	977739061	/nfs/dbraw/zinc/73/90/61/977739061.db2.gz	YGOJVPIFJJNKFG-CQSZACIVSA-N	-1	0	290.323	0.391	20	30		CCEDRM
C[C@@H](CC(=O)[O-])CC(=O)N1CC[C@](O)(CC#N)C1	ZINC001592374691	977902645	/nfs/dbraw/zinc/90/26/45/977902645.db2.gz	DEGCSKJUHPGBOR-BXKDBHETSA-N	-1	0	254.286	0.364	20	30		CCEDRM
C[C@H](CC(=O)[O-])CC(=O)NCC1CCN(CC#N)CC1	ZINC001592385114	977925089	/nfs/dbraw/zinc/92/50/89/977925089.db2.gz	FEQLEYSBDCPLLV-NSHDSACASA-N	-1	0	281.356	0.839	20	30		CCEDRM
CC[C@@H](CC#N)NC(=O)Nc1ccc(C(=O)[O-])nn1	ZINC001595029390	979156605	/nfs/dbraw/zinc/15/66/05/979156605.db2.gz	ACBTVQKYFOGTMY-ZETCQYMHSA-N	-1	0	263.257	0.989	20	30		CCEDRM
CC[C@@H](CC#N)NS(=O)(=O)CC1(C(=O)[O-])CC1	ZINC001595029814	979161615	/nfs/dbraw/zinc/16/16/15/979161615.db2.gz	GRVAQFBVLDLGPS-QMMMGPOBSA-N	-1	0	260.315	0.463	20	30		CCEDRM
C[C@@H](CS(=O)(=O)N([C@H](C)C#N)C1CC1)C(=O)[O-]	ZINC001592788592	979428710	/nfs/dbraw/zinc/42/87/10/979428710.db2.gz	SLXOPBLFNRXSER-JGVFFNPUSA-N	-1	0	260.315	0.413	20	30		CCEDRM
C[C@@H](Cc1ccc(C#N)cc1)C(=O)NC[C@](C)(O)C(=O)[O-]	ZINC001592834860	979580540	/nfs/dbraw/zinc/58/05/40/979580540.db2.gz	YUTVAOJCMULOEI-BONVTDFDSA-N	-1	0	290.319	0.689	20	30		CCEDRM
CC[C@@](COC)(NC(=O)c1cc(C#N)[nH]c1C)C(=O)[O-]	ZINC001595188086	979853744	/nfs/dbraw/zinc/85/37/44/979853744.db2.gz	FMDBXDWWMRQABZ-ZDUSSCGKSA-N	-1	0	279.296	0.804	20	30		CCEDRM
CC[C@](COC)(NC(=O)c1ncc(C#N)cc1C)C(=O)[O-]	ZINC001595193103	979883572	/nfs/dbraw/zinc/88/35/72/979883572.db2.gz	CPDVTAMPNAJBRE-CQSZACIVSA-N	-1	0	291.307	0.871	20	30		CCEDRM
CCC[C@H](C#N)NS(=O)(=O)c1cc(C(=O)[O-])co1	ZINC001595532338	981371280	/nfs/dbraw/zinc/37/12/80/981371280.db2.gz	HXHIFUUCGYPZQO-MRVPVSSYSA-N	-1	0	272.282	0.948	20	30		CCEDRM
CC[C@@](C)(C#N)C(=O)N1CCC([C@H](O)C(=O)[O-])CC1	ZINC001594778344	981775549	/nfs/dbraw/zinc/77/55/49/981775549.db2.gz	PETIPEVNLKFIBJ-GWCFXTLKSA-N	-1	0	268.313	0.610	20	30		CCEDRM
CC[C@H](C)[C@H](C(=O)OC)N(CC#N)CCC(=O)[O-]	ZINC001594873790	982195646	/nfs/dbraw/zinc/19/56/46/982195646.db2.gz	PMIANEVIYHHIGM-GXSJLCMTSA-N	-1	0	256.302	0.874	20	30		CCEDRM
CC[C@H](C)[C@H](NC(=O)COc1cnc(C#N)nc1)C(=O)[O-]	ZINC001594903562	982371841	/nfs/dbraw/zinc/37/18/41/982371841.db2.gz	UDJTVAHNOKRBED-UFBFGSQYSA-N	-1	0	292.295	0.343	20	30		CCEDRM
N#Cc1c[nH]c(C(=O)N[C@@H](C[C@@H]2CCCO2)C(=O)[O-])c1	ZINC001574242012	983200399	/nfs/dbraw/zinc/20/03/99/983200399.db2.gz	UBHLJNZCTAVSCJ-ONGXEEELSA-N	-1	0	277.280	0.638	20	30		CCEDRM
N#Cc1ccc(C(=O)N[C@@H](C[C@@H]2CCCO2)C(=O)[O-])[nH]1	ZINC001574245718	983201856	/nfs/dbraw/zinc/20/18/56/983201856.db2.gz	YRTVPQMUSOIAAL-ONGXEEELSA-N	-1	0	277.280	0.638	20	30		CCEDRM
N#Cc1cc(F)c(C(=O)NC[C@H](O)C(=O)[O-])c(F)c1	ZINC001574790876	983276203	/nfs/dbraw/zinc/27/62/03/983276203.db2.gz	HAMWWGKCEKRFOJ-QMMMGPOBSA-N	-1	0	270.191	0.012	20	30		CCEDRM
C#C[C@@H](C)NS(=O)(=O)CC1(C(=O)[O-])CCCC1	ZINC001588367929	983301688	/nfs/dbraw/zinc/30/16/88/983301688.db2.gz	CZEKUUUJUVEJBJ-SECBINFHSA-N	-1	0	259.327	0.573	20	30		CCEDRM
C#C[C@@H](C)NC(=O)N1CCC[C@](O)(C2(C(=O)[O-])CCC2)C1	ZINC001588368169	983303356	/nfs/dbraw/zinc/30/33/56/983303356.db2.gz	HOIJBRKYCYERNP-IAQYHMDHSA-N	-1	0	294.351	0.800	20	30		CCEDRM
C#C[C@@](C)(CC)NS(=O)(=O)c1ccc(C(=O)[O-])nc1	ZINC001588368330	983305622	/nfs/dbraw/zinc/30/56/22/983305622.db2.gz	KKHWQLPDCJFOGP-LBPRGKRZSA-N	-1	0	282.321	0.860	20	30		CCEDRM
C#C[C@H](CC)NS(=O)(=O)c1ccc(C#N)cc1C(=O)[O-]	ZINC001588369234	983312658	/nfs/dbraw/zinc/31/26/58/983312658.db2.gz	GQXQTYAXNQLBBU-SNVBAGLBSA-N	-1	0	292.316	0.947	20	30		CCEDRM
C#C[C@H](CCC)NC(=O)COCc1ocnc1C(=O)[O-]	ZINC001588369532	983314618	/nfs/dbraw/zinc/31/46/18/983314618.db2.gz	OSQSVZJUUDJRDX-SECBINFHSA-N	-1	0	280.280	0.808	20	30		CCEDRM
C#C[C@@H](CCC)NS(=O)(=O)c1cncc(C(=O)[O-])c1	ZINC001588371111	983324968	/nfs/dbraw/zinc/32/49/68/983324968.db2.gz	WQVXRMMCTFRQNO-JTQLQIEISA-N	-1	0	282.321	0.860	20	30		CCEDRM
C#C[C@H](NC(=O)NC1CC(CC(=O)[O-])C1)[C@H]1CCCO1	ZINC001588372188	983328874	/nfs/dbraw/zinc/32/88/74/983328874.db2.gz	FHOBMGBCSYRYPL-MMVSWEMESA-N	-1	0	280.324	0.720	20	30		CCEDRM
C#CC[C@H](COC)NC(=O)Nc1nn(C)cc1C(=O)[O-]	ZINC001588394964	983404487	/nfs/dbraw/zinc/40/44/87/983404487.db2.gz	OQGMGQOAXFDHNU-MRVPVSSYSA-N	-1	0	280.284	0.278	20	30		CCEDRM
C#CC[C@@H](CCOC)NC(=O)[C@@H]1CC[C@@H]1C(=O)[O-]	ZINC001588395843	983406924	/nfs/dbraw/zinc/40/69/24/983406924.db2.gz	URTDAGXHKMKLTB-AXFHLTTASA-N	-1	0	253.298	0.642	20	30		CCEDRM
C#CC[C@H](NC(=O)CC[C@]1(C)CCC(=O)N1)C(=O)[O-]	ZINC001588405917	983423352	/nfs/dbraw/zinc/42/33/52/983423352.db2.gz	KIIYHKCIJFZICZ-TVQRCGJNSA-N	-1	0	266.297	0.028	20	30		CCEDRM
C#CC[C@H](NC(=O)CC[C@@]1(C)CCC(=O)N1)C(=O)[O-]	ZINC001588405920	983423487	/nfs/dbraw/zinc/42/34/87/983423487.db2.gz	KIIYHKCIJFZICZ-ZANVPECISA-N	-1	0	266.297	0.028	20	30		CCEDRM
C#CC[C@H](NC(=O)c1cc(F)cc(C)c1N)C(=O)[O-]	ZINC001588414120	983433322	/nfs/dbraw/zinc/43/33/22/983433322.db2.gz	ONQHRBMKQMHSLQ-JTQLQIEISA-N	-1	0	264.256	0.923	20	30		CCEDRM
C#CC[C@@H](NC(=O)c1cc(C)cc(C(=O)OC)c1)C(=O)[O-]	ZINC001588414764	983435212	/nfs/dbraw/zinc/43/52/12/983435212.db2.gz	ZUMINYPPEGHLCR-GFCCVEGCSA-N	-1	0	289.287	0.988	20	30		CCEDRM
C#CC[C@@H](NC(=O)c1coc2c1C(=O)NCCC2)C(=O)[O-]	ZINC001588421923	983443662	/nfs/dbraw/zinc/44/36/62/983443662.db2.gz	QAKYALMUHXYZOK-SECBINFHSA-N	-1	0	290.275	0.162	20	30		CCEDRM
C#CC[C@H]1CCCN(C(=O)C(=O)NCCCCC(=O)[O-])C1	ZINC001588431880	983465780	/nfs/dbraw/zinc/46/57/80/983465780.db2.gz	POYZRGKRBHBLIC-LBPRGKRZSA-N	-1	0	294.351	0.619	20	30		CCEDRM
C#CCC1(O)CCN(C(=O)c2ccc(C(=O)[O-])o2)CC1	ZINC001588431938	983466255	/nfs/dbraw/zinc/46/62/55/983466255.db2.gz	ROCFQJXGQKNMST-UHFFFAOYSA-N	-1	0	277.276	0.968	20	30		CCEDRM
C#CCCCC(=O)NCCCNC(=O)[C@@H]1C[C@H]1C(=O)[O-]	ZINC001588435136	983474775	/nfs/dbraw/zinc/47/47/75/983474775.db2.gz	DMKCCFDVHVTSIT-GHMZBOCLSA-N	-1	0	280.324	0.133	20	30		CCEDRM
C#CCCNS(=O)(=O)c1cc(C)c(C(=O)[O-])o1	ZINC001588453606	983476622	/nfs/dbraw/zinc/47/66/22/983476622.db2.gz	GODIFLGCRZMSOA-UHFFFAOYSA-N	-1	0	257.267	0.588	20	30		CCEDRM
C#CCCNC(=O)N1CCC[C@H](n2cc(C(=O)[O-])nn2)C1	ZINC001588453742	983477337	/nfs/dbraw/zinc/47/73/37/983477337.db2.gz	QSWOARQGIPYLFK-JTQLQIEISA-N	-1	0	291.311	0.346	20	30		CCEDRM
C#CCCS(=O)(=O)NCc1cc(C(=O)[O-])c(C)n1C	ZINC001588458623	983483737	/nfs/dbraw/zinc/48/37/37/983483737.db2.gz	QOMKVSUUAQNABR-UHFFFAOYSA-N	-1	0	284.337	0.474	20	30		CCEDRM
C#CCCS(=O)(=O)N(C)[C@H](COC(C)C)C(=O)[O-]	ZINC001588459106	983484470	/nfs/dbraw/zinc/48/44/70/983484470.db2.gz	YXBZLKUZTLVXQD-SNVBAGLBSA-N	-1	0	277.342	0.150	20	30		CCEDRM
C#CCN1CCC[C@H](NC(=O)N2C[C@@H](C)[C@H](C(=O)[O-])C2)C1	ZINC001588475257	983507644	/nfs/dbraw/zinc/50/76/44/983507644.db2.gz	BAJJZEYAFAVYMR-FRRDWIJNSA-N	-1	0	293.367	0.446	20	30		CCEDRM
C#CCN1CCC[C@@H](NC(=O)c2cc(C(=O)[O-])ccn2)C1	ZINC001588475677	983508876	/nfs/dbraw/zinc/50/88/76/983508876.db2.gz	GDBDSMINBPJUBT-GFCCVEGCSA-N	-1	0	287.319	0.607	20	30		CCEDRM
C#CCN1CCC[C@@H](NC(=O)c2cc(C(=O)[O-])on2)C1	ZINC001588477197	983514741	/nfs/dbraw/zinc/51/47/41/983514741.db2.gz	WFQQZAFMFCOXKK-SECBINFHSA-N	-1	0	277.280	0.200	20	30		CCEDRM
C#CCNC(=O)CCNC(C)(C)c1nocc1C(=O)[O-]	ZINC001588483583	983521520	/nfs/dbraw/zinc/52/15/20/983521520.db2.gz	BSZFQEWUHRIVOX-UHFFFAOYSA-N	-1	0	279.296	0.337	20	30		CCEDRM
C#CCNC(=O)Nc1ccc(CC(=O)NCC(=O)[O-])cc1	ZINC001588485599	983526021	/nfs/dbraw/zinc/52/60/21/983526021.db2.gz	ZEEUVUMBCNQDSL-UHFFFAOYSA-N	-1	0	289.291	0.185	20	30		CCEDRM
C#CCOCCC(=O)N1CCSC[C@@H]1C(=O)[O-]	ZINC001588489659	983528638	/nfs/dbraw/zinc/52/86/38/983528638.db2.gz	IWAKMTDKVUWOFI-SECBINFHSA-N	-1	0	257.311	0.055	20	30		CCEDRM
C#Cc1ccc(COC(=O)[C@H]2C[C@@H](C)[C@H](C(=O)[O-])O2)nc1	ZINC001588516830	983562684	/nfs/dbraw/zinc/56/26/84/983562684.db2.gz	DINFIISRAVEJEG-OASPWFOLSA-N	-1	0	289.287	0.984	20	30		CCEDRM
C#Cc1cccc(NC(=O)C(=O)N[C@H](C)CC(=O)[O-])c1	ZINC001588523422	983572287	/nfs/dbraw/zinc/57/22/87/983572287.db2.gz	KCMIDWIFSIMADM-SECBINFHSA-N	-1	0	274.276	0.586	20	30		CCEDRM
C=C(C)C[C@H](NC(=O)[C@H](O)c1ccccn1)C(=O)[O-]	ZINC001588537791	983602184	/nfs/dbraw/zinc/60/21/84/983602184.db2.gz	YFHAKLQDNXZZHZ-WDEREUQCSA-N	-1	0	264.281	0.651	20	30		CCEDRM
C=C(C)C[C@H](NC(=O)Cc1nnc(C2CC2)[nH]1)C(=O)[O-]	ZINC001588544222	983613750	/nfs/dbraw/zinc/61/37/50/983613750.db2.gz	XVAYKAJPWVOAEH-VIFPVBQESA-N	-1	0	278.312	0.760	20	30		CCEDRM
C=C(C)C[C@H](NC(=O)c1cc([N+](=O)[O-])cnc1N)C(=O)[O-]	ZINC001588546354	983615117	/nfs/dbraw/zinc/61/51/17/983615117.db2.gz	HXIUDVPAOFMBPK-VIFPVBQESA-N	-1	0	294.267	0.721	20	30		CCEDRM
C=C(C)C[C@H](NC(=O)c1cnc(C(=O)[O-])cn1)C(=O)OC	ZINC001588547934	983622352	/nfs/dbraw/zinc/62/23/52/983622352.db2.gz	JDKDWKKLVZPDPR-QMMMGPOBSA-N	-1	0	293.279	0.412	20	30		CCEDRM
C=C(C)C[C@H](NC(=O)c1ccc[n+]([O-])c1)C(=O)[O-]	ZINC001588548422	983624008	/nfs/dbraw/zinc/62/40/08/983624008.db2.gz	QLXVCSGURCTZJZ-JTQLQIEISA-N	-1	0	250.254	0.469	20	30		CCEDRM
CCN(C[C@H](C)C#N)Cn1nc(C(=O)[O-])cc1C(=O)OC	ZINC001596230965	983625285	/nfs/dbraw/zinc/62/52/85/983625285.db2.gz	DWFUFAUUERQOJH-SECBINFHSA-N	-1	0	294.311	0.807	20	30		CCEDRM
C=C(C)CCN1C(=O)N[C@@H]([C@@H]2C[C@H]2C(=O)[O-])C1=O	ZINC001588559688	983640706	/nfs/dbraw/zinc/64/07/06/983640706.db2.gz	RBWHOTKQJQYHOQ-HLTSFMKQSA-N	-1	0	252.270	0.594	20	30		CCEDRM
C=C(C)CN(C)C(=O)C(=O)N1CCC[C@](C)(C(=O)[O-])C1	ZINC001588561579	983642416	/nfs/dbraw/zinc/64/24/16/983642416.db2.gz	NSKNHXXJJVBSES-AWEZNQCLSA-N	-1	0	282.340	0.734	20	30		CCEDRM
C=C(C)COCCNC(=O)C(=O)N1CC[C@@H](C(=O)[O-])[C@H]1C	ZINC001588569588	983649277	/nfs/dbraw/zinc/64/92/77/983649277.db2.gz	GGLPQIWYQDNEES-GHMZBOCLSA-N	-1	0	298.339	0.017	20	30		CCEDRM
C=C(C)CONC(=O)N1C[C@@H](C)O[C@H](C(=O)[O-])C1	ZINC001588573697	983653603	/nfs/dbraw/zinc/65/36/03/983653603.db2.gz	SSOQEWQBRBLVBA-BDAKNGLRSA-N	-1	0	258.274	0.378	20	30		CCEDRM
C=C(C)Cn1nnnc1N1CC[C@@H](C(=O)[O-])[C@H]1C	ZINC001588598992	983687380	/nfs/dbraw/zinc/68/73/80/983687380.db2.gz	CFLLZXGNBUPBAH-RKDXNWHRSA-N	-1	0	251.290	0.549	20	30		CCEDRM
C=C(C)Cn1nnnc1N1CCC[C@@]1(COC)C(=O)[O-]	ZINC001588599191	983688595	/nfs/dbraw/zinc/68/85/95/983688595.db2.gz	IBZOWDBCZKAJJH-GFCCVEGCSA-N	-1	0	281.316	0.319	20	30		CCEDRM
C=C(C)Cn1nnnc1N(CC)C(C)(C)C(=O)[O-]	ZINC001588599227	983688646	/nfs/dbraw/zinc/68/86/46/983688646.db2.gz	JPHFZWIMJWGAMT-UHFFFAOYSA-N	-1	0	253.306	0.939	20	30		CCEDRM
C=C(CCC(=O)[O-])C(=O)N1CC(N2CCCC2=O)C1	ZINC001588612646	983703684	/nfs/dbraw/zinc/70/36/84/983703684.db2.gz	UYILZPJYPYOABC-UHFFFAOYSA-N	-1	0	266.297	0.241	20	30		CCEDRM
C=C(CCC(=O)[O-])C(=O)N1CCC[C@H](CNC(C)=O)C1	ZINC001588613627	983704481	/nfs/dbraw/zinc/70/44/81/983704481.db2.gz	AOACIWUBYOJKQK-GFCCVEGCSA-N	-1	0	282.340	0.782	20	30		CCEDRM
C=C(CCC(=O)[O-])C(=O)N1CCC(F)(F)[C@@H](CO)C1	ZINC001588613686	983704802	/nfs/dbraw/zinc/70/48/02/983704802.db2.gz	BZQLTJFYWJPOPY-SECBINFHSA-N	-1	0	277.267	0.884	20	30		CCEDRM
C=C(CCC(=O)[O-])C(=O)N1CC[C@@H](N2CCOC2=O)C1	ZINC001588613830	983705172	/nfs/dbraw/zinc/70/51/72/983705172.db2.gz	FNEWHTIDWMAHMU-SNVBAGLBSA-N	-1	0	282.296	0.461	20	30		CCEDRM
C=C(CCC(=O)[O-])C(=O)N1CCN(c2ncccn2)CC1	ZINC001588615130	983710169	/nfs/dbraw/zinc/71/01/69/983710169.db2.gz	KZSJTSBRRBDYFW-UHFFFAOYSA-N	-1	0	290.323	0.546	20	30		CCEDRM
C=C(CCC(=O)[O-])C(=O)N[C@@H](C)C1(S(C)(=O)=O)CC1	ZINC001588618884	983713391	/nfs/dbraw/zinc/71/33/91/983713391.db2.gz	DECCUXFDQGXIIV-VIFPVBQESA-N	-1	0	289.353	0.489	20	30		CCEDRM
C=C(CCC(=O)[O-])C(=O)N[C@H]1CC(=O)N(C2CC2)C1	ZINC001588621822	983720900	/nfs/dbraw/zinc/72/09/00/983720900.db2.gz	KNTSVMXZTJMODQ-VIFPVBQESA-N	-1	0	266.297	0.287	20	30		CCEDRM
C=C(CCC(=O)[O-])C(=O)N[C@H](CCC)c1nnn[n-]1	ZINC001588622032	983721816	/nfs/dbraw/zinc/72/18/16/983721816.db2.gz	NWMKGBFWXQANBS-MRVPVSSYSA-N	-1	0	267.289	0.578	20	30		CCEDRM
CCN(CCC#N)C(=O)COC(=O)C12CC(C(=O)[O-])(C1)C2	ZINC001596299442	983723586	/nfs/dbraw/zinc/72/35/86/983723586.db2.gz	HREQSBXKTMZZHW-UHFFFAOYSA-N	-1	0	294.307	0.547	20	30		CCEDRM
C=C(CCC(=O)[O-])C(=O)NCCN1C[C@H](C)OC[C@@H]1C	ZINC001588624618	983733717	/nfs/dbraw/zinc/73/37/17/983733717.db2.gz	QAPWOJFWSRBZKZ-RYUDHWBXSA-N	-1	0	284.356	0.633	20	30		CCEDRM
C=C(CCC(=O)[O-])C(=O)N[C@H]1C[C@@H](C(=O)OC)[C@@H]2C[C@@H]21	ZINC001588630094	983741188	/nfs/dbraw/zinc/74/11/88/983741188.db2.gz	DAZZGEAHAVVZNY-YTWAJWBKSA-N	-1	0	281.308	0.721	20	30		CCEDRM
C=C(CCC(=O)[O-])C(=O)Nc1cn(C)nc1OC	ZINC001588633177	983748064	/nfs/dbraw/zinc/74/80/64/983748064.db2.gz	DACXNRPMQOWCPM-UHFFFAOYSA-N	-1	0	253.258	0.788	20	30		CCEDRM
C=C1C[C@H]2CC[C@@H](C1)N2S(=O)(=O)N(C)CCC(=O)[O-]	ZINC001588644213	983768673	/nfs/dbraw/zinc/76/86/73/983768673.db2.gz	HOLCCKGUTUXVAI-PHIMTYICSA-N	-1	0	288.369	0.821	20	30		CCEDRM
C=C1CCC(C(=O)N2C[C@H](O)C[C@H]2C(=O)[O-])CC1	ZINC001588644258	983769151	/nfs/dbraw/zinc/76/91/51/983769151.db2.gz	LUURNFZFJQBBKX-MNOVXSKESA-N	-1	0	253.298	0.779	20	30		CCEDRM
C=C[C@@H](C(=O)[O-])N1Cc2cc(C(=O)OCC)nn2C[C@H]1C	ZINC001588669714	983814052	/nfs/dbraw/zinc/81/40/52/983814052.db2.gz	NWKCLVWDXHITPR-SKDRFNHKSA-N	-1	0	293.323	0.903	20	30		CCEDRM
C=C[C@](C)(O)CC(=O)N1CCC[C@@]1(COC)C(=O)[O-]	ZINC001588683681	983849858	/nfs/dbraw/zinc/84/98/58/983849858.db2.gz	BTMDKFOCWLPAON-QWHCGFSZSA-N	-1	0	271.313	0.406	20	30		CCEDRM
C=C[C@](C)(O)CC(=O)N1CC[C@H](OC)C[C@H]1C(=O)[O-]	ZINC001588683888	983852601	/nfs/dbraw/zinc/85/26/01/983852601.db2.gz	GNBZZJNKIWRSQP-KWBADKCTSA-N	-1	0	271.313	0.404	20	30		CCEDRM
C=C[C@](C)(O)CC(=O)N1C[C@@H](OC)C[C@]1(C)C(=O)[O-]	ZINC001588683900	983853075	/nfs/dbraw/zinc/85/30/75/983853075.db2.gz	GUQUCLTVGGPAHW-TVYUQYBPSA-N	-1	0	271.313	0.404	20	30		CCEDRM
C=C[C@@H](C)ONC(=O)N1C[C@H](C)O[C@H](C(=O)[O-])C1	ZINC001588688057	983873657	/nfs/dbraw/zinc/87/36/57/983873657.db2.gz	XRJVASWARYJNNN-VGMNWLOBSA-N	-1	0	258.274	0.376	20	30		CCEDRM
C=C[C@H](CC)CC(=O)N1CC(=O)N(C)C[C@@H]1C(=O)[O-]	ZINC001588690971	983877830	/nfs/dbraw/zinc/87/78/30/983877830.db2.gz	NQMBJCZQPYNZBT-NXEZZACHSA-N	-1	0	268.313	0.343	20	30		CCEDRM
C=C[C@H](COC)NC(=O)N1CCO[C@@H](CC(=O)[O-])C1	ZINC001588692742	983885108	/nfs/dbraw/zinc/88/51/08/983885108.db2.gz	JAONDUPZHOCQRM-ZJUUUORDSA-N	-1	0	272.301	0.073	20	30		CCEDRM
C=C[C@H](Nc1cccc(O[C@H]2CC(=O)N2)c1)C(=O)[O-]	ZINC001588701931	983917090	/nfs/dbraw/zinc/91/70/90/983917090.db2.gz	CZYPOPVNEAZTFP-JQWIXIFHSA-N	-1	0	262.265	0.963	20	30		CCEDRM
C=C[C@H]([NH2+][C@@H]1CON(C(=O)OC(C)(C)C)C1)C(=O)[O-]	ZINC001588702548	983921011	/nfs/dbraw/zinc/92/10/11/983921011.db2.gz	UIURLLGDNHHUKD-IUCAKERBSA-N	-1	0	272.301	0.766	20	30		CCEDRM
C=C[C@H](O)C(=O)OCc1cc(C(=O)[O-])ccc1OC	ZINC001588704128	983922993	/nfs/dbraw/zinc/92/29/93/983922993.db2.gz	CDMCDMWRXRADMU-JTQLQIEISA-N	-1	0	266.249	0.984	20	30		CCEDRM
C=C[C@H](OC(=O)[C@@H](CC(C)C)NC(C)=O)C(=O)[O-]	ZINC001588711161	983936107	/nfs/dbraw/zinc/93/61/07/983936107.db2.gz	MATSSWVFAHOZNU-ZJUUUORDSA-N	-1	0	257.286	0.720	20	30		CCEDRM
C=C[C@@H](OC(=O)[C@H]1CC[C@@H](CCC(=O)[O-])O1)C(=O)OC	ZINC001588711454	983938013	/nfs/dbraw/zinc/93/80/13/983938013.db2.gz	AGCSSLJGLVJBCD-IVZWLZJFSA-N	-1	0	286.280	0.670	20	30		CCEDRM
C=C[C@H](OC(=O)c1c[nH]c(C(=O)[O-])c1)C(=O)OC	ZINC001588712418	983944336	/nfs/dbraw/zinc/94/43/36/983944336.db2.gz	KXCHRVOSKSNBQV-QMMMGPOBSA-N	-1	0	253.210	0.597	20	30		CCEDRM
C=C[C@@H](OC(=O)[C@@H]1CCc2cnn(C)c2C1)C(=O)[O-]	ZINC001588712588	983945388	/nfs/dbraw/zinc/94/53/88/983945388.db2.gz	XOFIANFDWSHOCP-LDYMZIIASA-N	-1	0	264.281	0.707	20	30		CCEDRM
C=C[C@@H](OC(=O)c1csc(S(C)(=O)=O)c1)C(=O)[O-]	ZINC001588713376	983948706	/nfs/dbraw/zinc/94/87/06/983948706.db2.gz	VTMPAABDJRLSCZ-SSDOTTSWSA-N	-1	0	290.318	0.948	20	30		CCEDRM
C=CC[C@H](C(=O)OC)N1CCO[C@H](CC(=O)[O-])C1	ZINC001588731023	984003662	/nfs/dbraw/zinc/00/36/62/984003662.db2.gz	BPZPYBOSRRGBRN-NXEZZACHSA-N	-1	0	257.286	0.280	20	30		CCEDRM
C=CC[C@H](C(=O)[O-])n1nc([N+](=O)[O-])cc1[N+](=O)[O-]	ZINC001588731422	984008609	/nfs/dbraw/zinc/00/86/09/984008609.db2.gz	IMBCEOPNOJAPNG-RXMQYKEDSA-N	-1	0	256.174	0.901	20	30		CCEDRM
C=CC[C@@H](NC(=O)[C@H]1C[C@H]1C(=O)[O-])C(=O)OCC	ZINC001588743520	984037895	/nfs/dbraw/zinc/03/78/95/984037895.db2.gz	ZGEPPQCKWQHFOV-DJLDLDEBSA-N	-1	0	255.270	0.331	20	30		CCEDRM
C=CC[C@@H](CO)NC(=O)c1[nH]c(C)c(C(=O)[O-])c1C	ZINC001588743773	984039510	/nfs/dbraw/zinc/03/95/10/984039510.db2.gz	COFDRZQKSZFQFA-VIFPVBQESA-N	-1	0	266.297	0.997	20	30		CCEDRM
C=CC[C@H](CO)NC(=O)Cc1ccc(C(=O)[O-])cc1	ZINC001588744345	984041910	/nfs/dbraw/zinc/04/19/10/984041910.db2.gz	KBPHGVJPTQFAGL-GFCCVEGCSA-N	-1	0	263.293	0.981	20	30		CCEDRM
C=CC[C@@H](CO)NC(=O)Nc1ccc(C(=O)[O-])nc1	ZINC001588744532	984043256	/nfs/dbraw/zinc/04/32/56/984043256.db2.gz	OFZYIHRQFHIGLC-VIFPVBQESA-N	-1	0	265.269	0.838	20	30		CCEDRM
C=CC[C@H](OC(=O)[C@@](C)(O)Cn1ccccc1=O)C(=O)[O-]	ZINC001588750176	984070014	/nfs/dbraw/zinc/07/00/14/984070014.db2.gz	CJDHFRWIRLCSGA-HZMBPMFUSA-N	-1	0	295.291	0.172	20	30		CCEDRM
C=CC[C@@H](OC(=O)[C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@H]12)C(=O)[O-]	ZINC001588756148	984097116	/nfs/dbraw/zinc/09/71/16/984097116.db2.gz	IDXZAGJUUBJLLO-AKKLPLMASA-N	-1	0	252.266	0.982	20	30		CCEDRM
C=CC[C@H](OC(=O)c1c[nH]c(C(=O)[O-])c1)C(=O)OC	ZINC001588756580	984098534	/nfs/dbraw/zinc/09/85/34/984098534.db2.gz	LXDHZFBNEDDOFF-VIFPVBQESA-N	-1	0	267.237	0.987	20	30		CCEDRM
C=CCCC[C@H](NC(=O)[C@@H](C)[C@H]1CCC(=O)N1)C(=O)[O-]	ZINC001588787333	984186303	/nfs/dbraw/zinc/18/63/03/984186303.db2.gz	VOFOPMSHZHEHNR-AXFHLTTASA-N	-1	0	282.340	0.827	20	30		CCEDRM
C=CCCC[C@@H](NC(=O)COCc1nncn1C)C(=O)[O-]	ZINC001588789032	984196131	/nfs/dbraw/zinc/19/61/31/984196131.db2.gz	VVGRNHGONXJEAJ-SNVBAGLBSA-N	-1	0	296.327	0.257	20	30		CCEDRM
C=CCCC[C@H](NC(=O)CCNC(=O)OC)C(=O)[O-]	ZINC001588789130	984197023	/nfs/dbraw/zinc/19/70/23/984197023.db2.gz	ZARUVROJDUPNTI-VIFPVBQESA-N	-1	0	272.301	0.658	20	30		CCEDRM
C=CCCC[C@H](NC(=O)[C@@H]1CCCS1(=O)=O)C(=O)[O-]	ZINC001588789849	984201401	/nfs/dbraw/zinc/20/14/01/984201401.db2.gz	LFTVZIWVRFSEAZ-UWVGGRQHSA-N	-1	0	289.353	0.489	20	30		CCEDRM
C=CCCON1C(=O)[C@@H]2C[C@@H](C(=O)[O-])CCN2C1=O	ZINC001588813326	984269125	/nfs/dbraw/zinc/26/91/25/984269125.db2.gz	MPHGMNIASBONIY-IUCAKERBSA-N	-1	0	268.269	0.622	20	30		CCEDRM
C=CCCn1cc(CN2CCC[C@@H](O)[C@@H]2C(=O)[O-])nn1	ZINC001588820052	984281385	/nfs/dbraw/zinc/28/13/85/984281385.db2.gz	OGUWZYBKNORYOU-VXGBXAGGSA-N	-1	0	280.328	0.264	20	30		CCEDRM
C=CCN1C(=O)C(=O)N(Cc2cc(C(=O)[O-])cs2)C1=O	ZINC001588832713	984324964	/nfs/dbraw/zinc/32/49/64/984324964.db2.gz	WMAHDHHUFUELAI-UHFFFAOYSA-N	-1	0	294.288	0.923	20	30		CCEDRM
C=CCNC(=O)CN1CCC(c2cc(C(=O)[O-])on2)CC1	ZINC001588838540	984338865	/nfs/dbraw/zinc/33/88/65/984338865.db2.gz	GIDJGDZSZMWLJF-UHFFFAOYSA-N	-1	0	293.323	0.854	20	30		CCEDRM
C=CCN1CC[C@H](OC(=O)[C@H](CC)C(=O)[O-])C1=O	ZINC001588838860	984341960	/nfs/dbraw/zinc/34/19/60/984341960.db2.gz	KOLWASOYFNJNQF-BDAKNGLRSA-N	-1	0	255.270	0.427	20	30		CCEDRM
C=CCN1CC[C@@H](n2cc(C[C@H](CC)C(=O)[O-])nn2)C1=O	ZINC001588839091	984344171	/nfs/dbraw/zinc/34/41/71/984344171.db2.gz	NJKCQOWUMZMKKA-CMPLNLGQSA-N	-1	0	292.339	0.891	20	30		CCEDRM
C=CCN1CC[C@@H](OC(=O)c2ccc(C(=O)[O-])[nH]2)C1=O	ZINC001588839512	984347877	/nfs/dbraw/zinc/34/78/77/984347877.db2.gz	SNOACLMVHQIRLW-SNVBAGLBSA-N	-1	0	278.264	0.657	20	30		CCEDRM
C=CCN1CC[C@H](N(C)c2nccc(C(=O)[O-])n2)C1=O	ZINC001588839978	984351506	/nfs/dbraw/zinc/35/15/06/984351506.db2.gz	YIXNVDGMUUHMTL-JTQLQIEISA-N	-1	0	276.296	0.398	20	30		CCEDRM
C=CCNC(=O)NC(=O)[C@H](C)OC(=O)CCCC(=O)[O-]	ZINC001588843864	984354429	/nfs/dbraw/zinc/35/44/29/984354429.db2.gz	JWTRGJOSWPFWAZ-QMMMGPOBSA-N	-1	0	286.284	0.185	20	30		CCEDRM
C=CCO[C@@H]1CCN(C(=O)NC[C@H]2C[C@H]2C(=O)[O-])C1	ZINC001588849983	984377956	/nfs/dbraw/zinc/37/79/56/984377956.db2.gz	RSUOVOSKEKMKEP-GMTAPVOTSA-N	-1	0	268.313	0.694	20	30		CCEDRM
C=CCOC[C@@H](NC(=O)CCc1cncs1)C(=O)[O-]	ZINC001588854373	984390840	/nfs/dbraw/zinc/39/08/40/984390840.db2.gz	YFOHMOOHLQTPER-SNVBAGLBSA-N	-1	0	284.337	0.848	20	30		CCEDRM
C=CCOC[C@@H](NC(=O)[C@@H](O)C(C)(C)C)C(=O)[O-]	ZINC001588856348	984399052	/nfs/dbraw/zinc/39/90/52/984399052.db2.gz	YHPQTLQIKSPZAY-RKDXNWHRSA-N	-1	0	259.302	0.165	20	30		CCEDRM
C=CCOC[C@@H](NC(=O)c1ccnnc1C)C(=O)[O-]	ZINC001588860258	984411612	/nfs/dbraw/zinc/41/16/12/984411612.db2.gz	OAKNTPOIHVJDDE-SNVBAGLBSA-N	-1	0	265.269	0.171	20	30		CCEDRM
C=CCOC[C@H](NC(=O)c1n[nH]c(C)c1C)C(=O)[O-]	ZINC001588860302	984412262	/nfs/dbraw/zinc/41/22/62/984412262.db2.gz	PQYAZQLEIPMOHD-VIFPVBQESA-N	-1	0	267.285	0.412	20	30		CCEDRM
C=CCOC[C@H](NC(=O)c1ncc2n1CCCC2)C(=O)[O-]	ZINC001588860406	984412715	/nfs/dbraw/zinc/41/27/15/984412715.db2.gz	UHVAKQOLOHNLOS-NSHDSACASA-N	-1	0	293.323	0.605	20	30		CCEDRM
C=CCOC[C@@H](NC(=O)c1coc(OCC)n1)C(=O)[O-]	ZINC001588860435	984413283	/nfs/dbraw/zinc/41/32/83/984413283.db2.gz	UVEBPUDYKTVWMI-SECBINFHSA-N	-1	0	284.268	0.459	20	30		CCEDRM
C=CCOC[C@@H](NC(=O)c1cccc(O)c1F)C(=O)[O-]	ZINC001588861687	984415933	/nfs/dbraw/zinc/41/59/33/984415933.db2.gz	JUIPQOGTVRGJTC-SECBINFHSA-N	-1	0	283.255	0.917	20	30		CCEDRM
C=CCOC[C@H](NC(=O)c1ccc([N+](=O)[O-])cc1)C(=O)[O-]	ZINC001588861690	984415986	/nfs/dbraw/zinc/41/59/86/984415986.db2.gz	JYIJQABHQVQGQO-NSHDSACASA-N	-1	0	294.263	0.980	20	30		CCEDRM
C=CCOC[C@H](NC[C@H]1[C@H](C(=O)[O-])C1(F)F)C(=O)OC	ZINC001588866084	984422481	/nfs/dbraw/zinc/42/24/81/984422481.db2.gz	IZVHPJXQYFQRNN-XHNCKOQMSA-N	-1	0	293.266	0.286	20	30		CCEDRM
C=CCOC[C@H](NC[C@H]1[C@@H](C(=O)[O-])C1(F)F)C(=O)OC	ZINC001588866081	984422514	/nfs/dbraw/zinc/42/25/14/984422514.db2.gz	IZVHPJXQYFQRNN-CIUDSAMLSA-N	-1	0	293.266	0.286	20	30		CCEDRM
C=CCOCCCN1C(=O)[C@H]2C[C@@H](C(=O)[O-])CCN2C1=O	ZINC001588867082	984429839	/nfs/dbraw/zinc/42/98/39/984429839.db2.gz	WILCQUCSFBBVDX-WDEREUQCSA-N	-1	0	296.323	0.707	20	30		CCEDRM
CCOC(=O)/C=C\CN1CCC(C#N)(C(=O)[O-])CC1	ZINC001596582086	984496800	/nfs/dbraw/zinc/49/68/00/984496800.db2.gz	ABWZTUPYGPFNQX-ARJAWSKDSA-N	-1	0	266.297	0.796	20	30		CCEDRM
C=CCn1cc(C(=O)OCc2cc(C(=O)[O-])no2)nn1	ZINC001588909472	984544580	/nfs/dbraw/zinc/54/45/80/984544580.db2.gz	VWUVBGMDMGBYFV-UHFFFAOYSA-N	-1	0	278.224	0.507	20	30		CCEDRM
C=CCn1c([C@@H](C)O)nnc1N1C[C@@H](C)O[C@H](C(=O)[O-])C1	ZINC001588910049	984547065	/nfs/dbraw/zinc/54/70/65/984547065.db2.gz	HWCDHTQIBOKGRW-BBBLOLIVSA-N	-1	0	296.327	0.196	20	30		CCEDRM
C=C[C@@H]1OCC[C@H]1C(=O)N1CC(F)(F)C[C@@H]1C(=O)[O-]	ZINC001588917066	984565208	/nfs/dbraw/zinc/56/52/08/984565208.db2.gz	NICSOYWSDQUVNU-HLTSFMKQSA-N	-1	0	275.251	0.898	20	30		CCEDRM
C=C[C@@H]1OCC[C@H]1C(=O)N(C)[C@H](COCC)C(=O)[O-]	ZINC001588917351	984566335	/nfs/dbraw/zinc/56/63/35/984566335.db2.gz	XOHGTDQMGXYUDQ-MXWKQRLJSA-N	-1	0	271.313	0.526	20	30		CCEDRM
C=C[C@@H]1OCC[C@H]1NC(=O)Cc1ccc(C(=O)[O-])nc1	ZINC001588917838	984567439	/nfs/dbraw/zinc/56/74/39/984567439.db2.gz	CXIJYDLPGARFGB-PWSUYJOCSA-N	-1	0	276.292	0.782	20	30		CCEDRM
CCO[C@H](C)C(=O)N1CCC(C#N)(C(=O)[O-])CC1	ZINC001596768936	985191103	/nfs/dbraw/zinc/19/11/03/985191103.db2.gz	YLVXUHOOIMETQA-SECBINFHSA-N	-1	0	254.286	0.628	20	30		CCEDRM
C[C@H]1CN(C(=O)c2ccc(C#N)nc2)C[C@@H](C(=O)[O-])O1	ZINC001599925444	985193277	/nfs/dbraw/zinc/19/32/77/985193277.db2.gz	FQPQMRKAXBOUNK-KWQFWETISA-N	-1	0	275.264	0.267	20	30		CCEDRM
CCO[C@@H]1[C@H](C)[C@H]1C(=O)N1CCC(C#N)(C(=O)[O-])CC1	ZINC001596797867	985302839	/nfs/dbraw/zinc/30/28/39/985302839.db2.gz	ZIHYMSDCZMFNEF-GMTAPVOTSA-N	-1	0	280.324	0.874	20	30		CCEDRM
CC(=O)N[C@@H](CSCc1ccc(C#N)o1)C(=O)[O-]	ZINC001589159942	985497478	/nfs/dbraw/zinc/49/74/78/985497478.db2.gz	OAQBISVCRBCIPD-JTQLQIEISA-N	-1	0	268.294	0.974	20	30		CCEDRM
CCOC[C@H](C(=O)[O-])N(C)CC(=O)N[C@@](C)(C#N)C(C)C	ZINC001596877486	985735344	/nfs/dbraw/zinc/73/53/44/985735344.db2.gz	OGKRJUVTVXZOCV-RISCZKNCSA-N	-1	0	299.371	0.462	20	30		CCEDRM
C[C@@H](C#N)C(=O)N(C)CCN(C)c1ncc(C(=O)[O-])cn1	ZINC001589323416	986145781	/nfs/dbraw/zinc/14/57/81/986145781.db2.gz	CXUTUHUXMRZKQI-VIFPVBQESA-N	-1	0	291.311	0.229	20	30		CCEDRM
C[C@@H](C#N)CN(C)C(=O)C(=O)N1C[C@H](C)[C@@](C)(C(=O)[O-])C1	ZINC001589329129	986160853	/nfs/dbraw/zinc/16/08/53/986160853.db2.gz	JMGUFSKGHQHDNZ-BHDSKKPTSA-N	-1	0	295.339	0.174	20	30		CCEDRM
C[C@@H](C#N)CNC(=O)N1C[C@H](C)[C@@](C)(C(=O)[O-])C1	ZINC001589330816	986179514	/nfs/dbraw/zinc/17/95/14/986179514.db2.gz	RFTBMLULUDQQDU-AUTRQRHGSA-N	-1	0	253.302	0.898	20	30		CCEDRM
C[C@H](C#N)CN(C)S(=O)(=O)C1(C(=O)[O-])CCC1	ZINC001589331035	986182807	/nfs/dbraw/zinc/18/28/07/986182807.db2.gz	YUWLQVICGBFVNA-MRVPVSSYSA-N	-1	0	260.315	0.415	20	30		CCEDRM
C[C@H](C#N)OCCSCCc1cn(CC(=O)[O-])nn1	ZINC001589331396	986185314	/nfs/dbraw/zinc/18/53/14/986185314.db2.gz	DBELHFGOROVBCO-SECBINFHSA-N	-1	0	284.341	0.567	20	30		CCEDRM
C[C@H](C#N)N(C1CC1)S(=O)(=O)CC1(C(=O)[O-])CC1	ZINC001589331478	986186576	/nfs/dbraw/zinc/18/65/76/986186576.db2.gz	FWZPUURWQCNJTE-MRVPVSSYSA-N	-1	0	272.326	0.557	20	30		CCEDRM
C[C@H](C#N)N(C1CC1)S(=O)(=O)c1c[nH]c(C(=O)[O-])c1	ZINC001589331705	986189853	/nfs/dbraw/zinc/18/98/53/986189853.db2.gz	MJTUDBSHUSJGRS-SSDOTTSWSA-N	-1	0	283.309	0.778	20	30		CCEDRM
C[C@@H](C#N)N(C1CC1)S(=O)(=O)c1c[nH]c(C(=O)[O-])c1	ZINC001589331706	986190128	/nfs/dbraw/zinc/19/01/28/986190128.db2.gz	MJTUDBSHUSJGRS-ZETCQYMHSA-N	-1	0	283.309	0.778	20	30		CCEDRM
C[C@H]1CO[C@H](C(=O)N2CCC(C#N)(C(=O)[O-])CC2)C1	ZINC001594586932	986483595	/nfs/dbraw/zinc/48/35/95/986483595.db2.gz	LLKOGGGKQHFTDN-ZJUUUORDSA-N	-1	0	266.297	0.628	20	30		CCEDRM
C[C@H](C(=O)[O-])N(C(=O)[C@H](C)n1cnc(C#N)n1)C1CCC1	ZINC001589468666	986933276	/nfs/dbraw/zinc/93/32/76/986933276.db2.gz	LPKBVPXRMMVPFD-DTWKUNHWSA-N	-1	0	291.311	0.565	20	30		CCEDRM
CCC(C#N)(CC)C(=O)OCC(=O)NCC(=O)[O-]	ZINC001594722113	987209570	/nfs/dbraw/zinc/20/95/70/987209570.db2.gz	ITCAGZUOFUXHGI-UHFFFAOYSA-N	-1	0	256.258	0.060	20	30		CCEDRM
CC[C@@H](C#N)C(=O)N[C@@H](CCC1OCCO1)C(=O)[O-]	ZINC001594722966	987218458	/nfs/dbraw/zinc/21/84/58/987218458.db2.gz	YDMKPSSPPKFNFW-IUCAKERBSA-N	-1	0	270.285	0.259	20	30		CCEDRM
C[C@@H](CC(=O)[O-])OC(=O)[C@H](C)n1cnc(C#N)n1	ZINC001589546272	987267170	/nfs/dbraw/zinc/26/71/70/987267170.db2.gz	FCNPMYYJVGZMNT-BQBZGAKWSA-N	-1	0	252.230	0.117	20	30		CCEDRM
C[C@@H](C(=O)OCc1oncc1C(=O)[O-])n1cnc(C#N)n1	ZINC001589547712	987272527	/nfs/dbraw/zinc/27/25/27/987272527.db2.gz	SRTITCKGUYYUOX-LURJTMIESA-N	-1	0	291.223	0.140	20	30		CCEDRM
CC[C@H](C#N)NC(=O)CCCn1ccc(C(=O)[O-])n1	ZINC001597311294	987435341	/nfs/dbraw/zinc/43/53/41/987435341.db2.gz	STDUBMBPELRUAM-SECBINFHSA-N	-1	0	264.285	0.780	20	30		CCEDRM
CC(C)(C)C#CC(=O)N1CCC[C@H](O)[C@@H]1C(=O)[O-]	ZINC001589682013	987716605	/nfs/dbraw/zinc/71/66/05/987716605.db2.gz	LYFSXXVXZCNJTG-GXSJLCMTSA-N	-1	0	253.298	0.472	20	30		CCEDRM
CSC[C@](C)(C#N)NC(=O)Cn1ccc(C(=O)[O-])n1	ZINC001599790257	987994867	/nfs/dbraw/zinc/99/48/67/987994867.db2.gz	WJERLHOBMXQWRM-NSHDSACASA-N	-1	0	282.325	0.343	20	30		CCEDRM
CCc1ccc(C#CC(=O)NCCOCC(=O)[O-])cc1	ZINC001597494873	988038937	/nfs/dbraw/zinc/03/89/37/988038937.db2.gz	JTCQTHXWGPJBDI-UHFFFAOYSA-N	-1	0	275.304	0.818	20	30		CCEDRM
CCc1ccc(C#CC(=O)N2CC[C@@](O)(C(=O)[O-])C2)cc1	ZINC001597495089	988042214	/nfs/dbraw/zinc/04/22/14/988042214.db2.gz	QYRPEBNELRIVPV-INIZCTEOSA-N	-1	0	287.315	0.649	20	30		CCEDRM
C[C@@H]1CN(c2nnc(C(C)(C)C#N)n2C)C[C@@H](C(=O)[O-])O1	ZINC001599870259	989337578	/nfs/dbraw/zinc/33/75/78/989337578.db2.gz	ZDAALGVRJUZVJZ-BDAKNGLRSA-N	-1	0	293.327	0.295	20	30		CCEDRM
C[C@@H]1C[C@H](C(=O)NCC(C)(C)CC#N)O[C@H]1C(=O)[O-]	ZINC001599874450	989400417	/nfs/dbraw/zinc/40/04/17/989400417.db2.gz	CXLOLRLOLHSYBV-OPRDCNLKSA-N	-1	0	268.313	0.921	20	30		CCEDRM
CCn1cc(CNc2ccc(C(=O)[O-])nc2C#N)nn1	ZINC001597890731	989746059	/nfs/dbraw/zinc/74/60/59/989746059.db2.gz	QEQNGEHLIQQJMA-UHFFFAOYSA-N	-1	0	272.268	0.875	20	30		CCEDRM
CN(C(C)(C)C#N)S(=O)(=O)c1ccc(C(=O)[O-])nc1	ZINC001598106710	990489522	/nfs/dbraw/zinc/48/95/22/990489522.db2.gz	SUSXOFOBPVEUNY-UHFFFAOYSA-N	-1	0	283.309	0.702	20	30		CCEDRM
CC(C)(Cc1cn(CCn2cc(C#N)cn2)nn1)C(=O)[O-]	ZINC001590827312	990673708	/nfs/dbraw/zinc/67/37/08/990673708.db2.gz	NZOOPMBTWXEMPK-UHFFFAOYSA-N	-1	0	288.311	0.700	20	30		CCEDRM
CC(C)(NC(=O)[C@@H]1C[C@@H]1C#N)c1cc(C(=O)[O-])on1	ZINC001590858802	990749125	/nfs/dbraw/zinc/74/91/25/990749125.db2.gz	MXEQGFWRVBUJBP-RNFRBKRXSA-N	-1	0	263.253	0.884	20	30		CCEDRM
CN(C)C[C@@](C)(C#N)NC(=O)CC[C@@H]1C[C@H](C(=O)[O-])CO1	ZINC001598200123	990812436	/nfs/dbraw/zinc/81/24/36/990812436.db2.gz	ZYCJFGKXSAJPNU-MISXGVKJSA-N	-1	0	297.355	0.216	20	30		CCEDRM
CC(C)C#CC(=O)NC/C=C\CNC(=O)[C@@H]1C[C@@H]1C(=O)[O-]	ZINC001590927918	990937460	/nfs/dbraw/zinc/93/74/60/990937460.db2.gz	NXXOCFKBIPRMIQ-BKGLOODYSA-N	-1	0	292.335	0.155	20	30		CCEDRM
CN(CC(=O)N1CCC(C#N)(C(=O)[O-])CC1)C(=O)C1CC1	ZINC001598379596	991575694	/nfs/dbraw/zinc/57/56/94/991575694.db2.gz	XXAYFBNYSBUAGV-UHFFFAOYSA-N	-1	0	293.323	0.072	20	30		CCEDRM
CC(C)C[C@@H](NC(=O)CN1CCC(C#N)CC1)C(=O)[O-]	ZINC001591168274	991945433	/nfs/dbraw/zinc/94/54/33/991945433.db2.gz	WONQMGROYRYZCS-GFCCVEGCSA-N	-1	0	281.356	0.837	20	30		CCEDRM
CN(C[C@H]1COCCO1)c1ccc(C(=O)[O-])nc1C#N	ZINC001598466526	991971397	/nfs/dbraw/zinc/97/13/97/991971397.db2.gz	BRNLUXNXTHMLLH-VIFPVBQESA-N	-1	0	277.280	0.503	20	30		CCEDRM
CN1CCC(C#N)(NC(=O)c2ccc(C(=O)[O-])o2)CC1	ZINC001598577542	993300384	/nfs/dbraw/zinc/30/03/84/993300384.db2.gz	BNWIYHQTSGIUMB-UHFFFAOYSA-N	-1	0	277.280	0.696	20	30		CCEDRM
COc1cccc([C@H](C(=O)[O-])N(C)CC(=O)NCC#N)c1	ZINC001599648082	994454002	/nfs/dbraw/zinc/45/40/02/994454002.db2.gz	YTGJWSHWXHQGGF-CYBMUJFWSA-N	-1	0	291.307	0.392	20	30		CCEDRM
COc1cccc([C@H](O)C(=O)N(CC#N)CCC(=O)[O-])c1	ZINC001599659189	994629842	/nfs/dbraw/zinc/62/98/42/994629842.db2.gz	HUSSHZCWMQBEBB-ZDUSSCGKSA-N	-1	0	292.291	0.555	20	30		CCEDRM
COC(=O)C1(C#N)CCN(Cc2cc(C(=O)[O-])no2)CC1	ZINC001598716388	995415152	/nfs/dbraw/zinc/41/51/52/995415152.db2.gz	KAXAPAIWEUDKCF-UHFFFAOYSA-N	-1	0	293.279	0.652	20	30		CCEDRM
COC(=O)[C@H]1[C@H](CN(CC#N)CCC(=O)[O-])C1(F)F	ZINC001598746343	995597686	/nfs/dbraw/zinc/59/76/86/995597686.db2.gz	XWTLQBNKLOQALP-IONNQARKSA-N	-1	0	276.239	0.341	20	30		CCEDRM
C[C@]1(C#N)CCCN(C(=O)Cn2cc(C(=O)[O-])nn2)C1	ZINC001593740857	996358696	/nfs/dbraw/zinc/35/86/96/996358696.db2.gz	WLMATVZGOUYTFB-GFCCVEGCSA-N	-1	0	277.284	0.129	20	30		CCEDRM
C[C@@]1(C#N)CN(C(=O)NCCCC(=O)[O-])CCO1	ZINC001593743627	996369740	/nfs/dbraw/zinc/36/97/40/996369740.db2.gz	WUPUIMGMPCRESX-LLVKDONJSA-N	-1	0	255.274	0.175	20	30		CCEDRM
CC1(C)C[C@]1(C#N)NC(=O)Cn1cccc(C(=O)[O-])c1=O	ZINC001593864293	996665445	/nfs/dbraw/zinc/66/54/45/996665445.db2.gz	RDGZSWPCVIJVJD-CQSZACIVSA-N	-1	0	289.291	0.355	20	30		CCEDRM
COC[C@H]1C[C@@H](NC(=O)N2CCC(C#N)(C(=O)[O-])CC2)C1	ZINC001599277806	996839053	/nfs/dbraw/zinc/83/90/53/996839053.db2.gz	RSRVTCJKCFWUSZ-PHIMTYICSA-N	-1	0	295.339	0.811	20	30		CCEDRM
CC1(C)OCC[C@H]1NN=Cc1cc(C(=O)[O-])no1	ZINC001593981301	997201556	/nfs/dbraw/zinc/20/15/56/997201556.db2.gz	KNFGHRAQLOLHGA-SECBINFHSA-N	-1	0	253.258	0.864	20	30		CCEDRM
COC1CC(C(=O)N2CCC(C#N)(C(=O)[O-])CC2)C1	ZINC001599096245	997287648	/nfs/dbraw/zinc/28/76/48/997287648.db2.gz	KKWBXYHIPRWTKL-UHFFFAOYSA-N	-1	0	266.297	0.628	20	30		CCEDRM
C[C@]1(CCC(=O)[O-])NC(=O)N(CC2(C#N)CCC2)C1=O	ZINC001594003260	997397435	/nfs/dbraw/zinc/39/74/35/997397435.db2.gz	SFFZDEFULZKYIR-GFCCVEGCSA-N	-1	0	279.296	0.856	20	30		CCEDRM
CON=CC(=O)Nc1ccc(CC(=O)NCC(=O)[O-])cc1	ZINC001599320567	997573422	/nfs/dbraw/zinc/57/34/22/997573422.db2.gz	KCMNFZMBOOHQEF-UHFFFAOYSA-N	-1	0	293.279	0.001	20	30		CCEDRM
COCC[C@H](NC(=O)c1cc(C#N)cn1C)C(=O)[O-]	ZINC001599215407	997573418	/nfs/dbraw/zinc/57/34/18/997573418.db2.gz	VKULYVWJJNQECP-VIFPVBQESA-N	-1	0	265.269	0.116	20	30		CCEDRM
CON=CC(=O)N1Cc2cc(O)ccc2C[C@@H]1C(=O)[O-]	ZINC001599320900	997579474	/nfs/dbraw/zinc/57/94/74/997579474.db2.gz	VITSSVDQUNHJEF-LLVKDONJSA-N	-1	0	278.264	0.362	20	30		CCEDRM
CON=CC(=O)Nc1cccc(C(=O)[O-])c1OC	ZINC001599321273	997585469	/nfs/dbraw/zinc/58/54/69/997585469.db2.gz	WTTCBBYORMQDIT-UHFFFAOYSA-N	-1	0	252.226	0.964	20	30		CCEDRM
COCCCCS(=O)(=O)N(CC#N)CCC(=O)[O-]	ZINC001599223109	997706868	/nfs/dbraw/zinc/70/68/68/997706868.db2.gz	LJBRXUPXEAZJGU-UHFFFAOYSA-N	-1	0	278.330	0.043	20	30		CCEDRM
COCCN(CC#N)C(=O)[C@H]1CCC[C@@H](C(=O)[O-])C1	ZINC001599230855	997850860	/nfs/dbraw/zinc/85/08/60/997850860.db2.gz	DCOOESPJUQQYNP-WDEREUQCSA-N	-1	0	268.313	0.876	20	30		CCEDRM
CO[C@H]1CN(C(=O)c2cc(C#N)c[nH]2)[C@@](C)(C(=O)[O-])C1	ZINC001599128509	997896819	/nfs/dbraw/zinc/89/68/19/997896819.db2.gz	ABUOPWUJOXGRJF-NOZJJQNGSA-N	-1	0	277.280	0.591	20	30		CCEDRM
COCC#CC(=O)N[C@H](Cc1ccc(F)cc1)C(=O)[O-]	ZINC001599137915	998074955	/nfs/dbraw/zinc/07/49/55/998074955.db2.gz	FNKDCTGEWCJHDK-GFCCVEGCSA-N	-1	0	279.267	0.587	20	30		CCEDRM
COC[C@H](C#N)OC(=O)[C@H]1CC[C@H](C(=O)[O-])CC1	ZINC001599143749	998176167	/nfs/dbraw/zinc/17/61/67/998176167.db2.gz	BVAGJOYRQWZYBL-GUBZILKMSA-N	-1	0	255.270	0.959	20	30		CCEDRM
COC[C@H](NC(=O)CCc1ccc(C#N)cc1)C(=O)[O-]	ZINC001599169609	998593390	/nfs/dbraw/zinc/59/33/90/998593390.db2.gz	ZKHCVQPPDGEGKK-LBPRGKRZSA-N	-1	0	276.292	0.707	20	30		CCEDRM
CO[C@](C)(C(=O)N(CC#N)CCC(=O)[O-])C1CC1	ZINC001599031791	999055646	/nfs/dbraw/zinc/05/56/46/999055646.db2.gz	NQSNDVZOZIBODV-LBPRGKRZSA-N	-1	0	254.286	0.628	20	30		CCEDRM
CO[C@@H](C)c1noc(CN(CC#N)CC(=O)[O-])n1	ZINC001599041899	999123638	/nfs/dbraw/zinc/12/36/38/999123638.db2.gz	GKHAVILPKGFCPI-ZETCQYMHSA-N	-1	0	254.246	0.187	20	30		CCEDRM
CO[C@]1(C(=O)[O-])CCN(C(=O)NCC2(C#N)CCC2)C1	ZINC001599072473	999342658	/nfs/dbraw/zinc/34/26/58/999342658.db2.gz	NKVAFQSGJUJXFY-CYBMUJFWSA-N	-1	0	281.312	0.565	20	30		CCEDRM
C[C@H]1CCCC[C@@H]1NC(=O)CN(CC#N)CCC(=O)[O-]	ZINC001594365864	999382694	/nfs/dbraw/zinc/38/26/94/999382694.db2.gz	JTHDKVFCSGKEJQ-RYUDHWBXSA-N	-1	0	281.356	0.982	20	30		CCEDRM
CCCc1cc(=NC(=O)N=c2[n-]n(C)cc2C#N)[nH][nH]1	ZINC000617277132	365588951	/nfs/dbraw/zinc/58/89/51/365588951.db2.gz	RHJJHMXVSHNGIA-UHFFFAOYSA-N	-1	0	273.300	0.455	20	30		CCEDRM
C[C@H](C#N)C([O-])=Nc1nc(C2CCOCC2)ns1	ZINC000600515120	362001391	/nfs/dbraw/zinc/00/13/91/362001391.db2.gz	SKYSLFVMSBOISG-SSDOTTSWSA-N	-1	0	266.326	0.952	20	30		CCEDRM
COCCS(=O)(=O)[N-]C(=O)/C=C/c1cccc(C#N)c1	ZINC000111994263	349777000	/nfs/dbraw/zinc/77/70/00/349777000.db2.gz	XIZXLXGNCPNYGE-AATRIKPKSA-N	-1	0	294.332	0.664	20	30		CCEDRM
Cn1nncc1S(=O)(=O)[N-]c1n[nH]c(C2CC2)c1C#N	ZINC000600667143	362027917	/nfs/dbraw/zinc/02/79/17/362027917.db2.gz	VDNNGXXAWQFDBY-UHFFFAOYSA-N	-1	0	293.312	0.088	20	30		CCEDRM
CCO[C@@H](C(=O)Nc1nc(C#N)c(C#N)[n-]1)C1CC1	ZINC000600817227	362069731	/nfs/dbraw/zinc/06/97/31/362069731.db2.gz	WWXMSKWGSYHKFE-SNVBAGLBSA-N	-1	0	259.269	0.907	20	30		CCEDRM
C[C@H](C#N)CN(C)C(=O)C(=O)N1CC[C@H](C(=O)[O-])[C@@H](C)C1	ZINC000600799778	362061591	/nfs/dbraw/zinc/06/15/91/362061591.db2.gz	YDURGIMDCYUUAH-VWYCJHECSA-N	-1	0	295.339	0.174	20	30		CCEDRM
C=C(C)[C@H]1OCC[C@H]1CNC(=O)CSCC(=O)[O-]	ZINC000600871094	362084507	/nfs/dbraw/zinc/08/45/07/362084507.db2.gz	AWMPJMNSRRTDOS-JOYOIKCWSA-N	-1	0	273.354	0.902	20	30		CCEDRM
CN(C(=O)CCc1nnn[n-]1)c1cccc(C#N)c1	ZINC000601015584	362130977	/nfs/dbraw/zinc/13/09/77/362130977.db2.gz	BQFCKPBMPBKSPC-UHFFFAOYSA-N	-1	0	256.269	0.667	20	30		CCEDRM
C[C@H](C(=O)N=c1[nH][n-]cc1C#N)N1[C@H](C)CC[C@@H]1C	ZINC000601641062	362337014	/nfs/dbraw/zinc/33/70/14/362337014.db2.gz	NBVAIVGRHLRAGH-KXUCPTDWSA-N	-1	0	261.329	0.903	20	30		CCEDRM
N#CC1(CNC(=O)N2CCC[C@H](C(=O)[O-])C2)CC1	ZINC000602094730	362484069	/nfs/dbraw/zinc/48/40/69/362484069.db2.gz	VFTCQNVKPGLKLR-VIFPVBQESA-N	-1	0	251.286	0.796	20	30		CCEDRM
CCN(C(=O)Cn1cc(C#N)c(=O)[n-]c1=O)C1CCC1	ZINC000602102087	362488634	/nfs/dbraw/zinc/48/86/34/362488634.db2.gz	DNYZZFWLAWLFSN-UHFFFAOYSA-N	-1	0	276.296	0.222	20	30		CCEDRM
CC[C@@H]1[C@H](C)CCN1C(=O)Cn1cc(C#N)c(=O)[n-]c1=O	ZINC000602136701	362516628	/nfs/dbraw/zinc/51/66/28/362516628.db2.gz	BBSSWSXUIZKTGL-MWLCHTKSSA-N	-1	0	290.323	0.468	20	30		CCEDRM
C=CC[C@H]1CCN(C(=O)Cn2cc(C#N)c(=O)[n-]c2=O)C1	ZINC000602190098	362548371	/nfs/dbraw/zinc/54/83/71/362548371.db2.gz	RRYCRNJBLZPNCX-JTQLQIEISA-N	-1	0	288.307	0.245	20	30		CCEDRM
C[C@@H]1[C@@H](C)CN1C(=O)CCn1cc(C#N)c(=O)[n-]c1=O	ZINC000602154243	362529849	/nfs/dbraw/zinc/52/98/49/362529849.db2.gz	BBODHJMAIDOQHH-DTWKUNHWSA-N	-1	0	276.296	0.077	20	30		CCEDRM
N#Cc1cn(CCC(=O)N2CC[C@@H]2C(F)F)c(=O)[n-]c1=O	ZINC000602154970	362530430	/nfs/dbraw/zinc/53/04/30/362530430.db2.gz	JJLMSUUFBKKPDT-MRVPVSSYSA-N	-1	0	298.249	0.077	20	30		CCEDRM
N#Cc1c[nH]c(C(=O)N2CCC[C@H](c3n[nH]c(=O)[n-]3)C2)c1	ZINC000339291270	215071428	/nfs/dbraw/zinc/07/14/28/215071428.db2.gz	UUOQCNFVYBMOSB-VIFPVBQESA-N	-1	0	286.295	0.730	20	30		CCEDRM
Cn1cc(C(=O)N=c2[n-]n(C(C)(C)C)cc2C#N)nn1	ZINC000342517141	137098247	/nfs/dbraw/zinc/09/82/47/137098247.db2.gz	MXVAUERZPYIUJX-UHFFFAOYSA-N	-1	0	273.300	0.312	20	30		CCEDRM
CC(C)n1cc(C#N)c(=NC(=O)C(=O)NCC[C@H](C)F)[n-]1	ZINC000343171441	137118835	/nfs/dbraw/zinc/11/88/35/137118835.db2.gz	BEKMCLJGLJEVEN-VIFPVBQESA-N	-1	0	295.318	0.560	20	30		CCEDRM
CC(C)[C@@H](NS(=O)(=O)c1ccccc1C#N)C(=O)[O-]	ZINC000020012706	348075603	/nfs/dbraw/zinc/07/56/03/348075603.db2.gz	NIPVUJBJTUKPAB-LLVKDONJSA-N	-1	0	282.321	0.946	20	30		CCEDRM
C=C(C)CS(=O)(=O)N[C@](C)(COC)CC(=O)[O-]	ZINC000573799272	334966624	/nfs/dbraw/zinc/96/66/24/334966624.db2.gz	FOWHEQNWGFOMRX-JTQLQIEISA-N	-1	0	265.331	0.362	20	30		CCEDRM
COCC1(C2CC2)CN(C(=O)N=c2[n-]n(C)cc2C#N)C1	ZINC000602884151	362862286	/nfs/dbraw/zinc/86/22/86/362862286.db2.gz	VFMXANZYGBPKQN-UHFFFAOYSA-N	-1	0	289.339	0.604	20	30		CCEDRM
CN(C(=O)N=c1[n-]n(C)cc1C#N)[C@H](CO)c1ccccc1	ZINC000602880867	362860573	/nfs/dbraw/zinc/86/05/73/362860573.db2.gz	NVVLRVZPXOJVJY-CYBMUJFWSA-N	-1	0	299.334	0.911	20	30		CCEDRM
CC(C)(C)n1cnc(=NC(=O)c2ccc(C#N)[nH]2)[n-]1	ZINC000345736833	137249474	/nfs/dbraw/zinc/24/94/74/137249474.db2.gz	JUGHSFFHCUOCDA-UHFFFAOYSA-N	-1	0	258.285	0.907	20	30		CCEDRM
COCc1nc(=NC(=O)c2c[nH]c(C#N)c2)s[n-]1	ZINC000345773531	137252161	/nfs/dbraw/zinc/25/21/61/137252161.db2.gz	QURDPJMECXWDOK-UHFFFAOYSA-N	-1	0	263.282	0.558	20	30		CCEDRM
CN1CC[C@@H](C(=O)[N-]S(=O)(=O)c2cccnc2)CC1=O	ZINC000048532867	348413831	/nfs/dbraw/zinc/41/38/31/348413831.db2.gz	KEZUTEIHLCOYAN-SECBINFHSA-N	-1	0	297.336	0.595	20	30		CCEDRM
C[C@@H](C#N)CNS(=O)(=O)c1cc(C(=O)[O-])cs1	ZINC000054156592	348544126	/nfs/dbraw/zinc/54/41/26/348544126.db2.gz	DOKCVQNPFHNESW-LURJTMIESA-N	-1	0	274.323	0.884	20	30		CCEDRM
N#Cc1ccc(CS(=O)(=O)N2CC[C@@H](C(=O)[O-])C2)cc1	ZINC000062119823	348666091	/nfs/dbraw/zinc/66/60/91/348666091.db2.gz	RLRUEKOFULQVOM-GFCCVEGCSA-N	-1	0	294.332	0.795	20	30		CCEDRM
C[C@H](CC#N)N(C)S(=O)(=O)N1CCC(C(=O)[O-])CC1	ZINC000063088066	348675850	/nfs/dbraw/zinc/67/58/50/348675850.db2.gz	HMRZNIWPUAIWEC-SECBINFHSA-N	-1	0	289.357	0.262	20	30		CCEDRM
N#Cc1nnc2ccccc2c1NCc1nnn[n-]1	ZINC000085920353	349337363	/nfs/dbraw/zinc/33/73/63/349337363.db2.gz	AYLQOHUOURAZJZ-UHFFFAOYSA-N	-1	0	252.241	0.627	20	30		CCEDRM
N#C[C@@H]1CN(S(=O)(=O)c2ccccc2[O-])CCO1	ZINC000128019435	350183311	/nfs/dbraw/zinc/18/33/11/350183311.db2.gz	JUPFVBFJBFQKAN-SECBINFHSA-N	-1	0	268.294	0.305	20	30		CCEDRM
C=C(C)COCCNC(=O)N[C@@H](C(=O)[O-])C(C)C	ZINC000164150163	350776863	/nfs/dbraw/zinc/77/68/63/350776863.db2.gz	PJXLWQZSTMAUMK-SNVBAGLBSA-N	-1	0	258.318	0.988	20	30		CCEDRM
C=CCN(C)S(=O)(=O)N1CCC[C@H](C(=O)[O-])C1	ZINC000165206327	350789014	/nfs/dbraw/zinc/78/90/14/350789014.db2.gz	LPBYHMUPIVDTHS-VIFPVBQESA-N	-1	0	262.331	0.146	20	30		CCEDRM
Cc1nc(C(=O)[N-]N2CCCCC2=O)ccc1C#N	ZINC000171212748	350894383	/nfs/dbraw/zinc/89/43/83/350894383.db2.gz	YYXSKWVUPXASCN-UHFFFAOYSA-N	-1	0	258.281	0.919	20	30		CCEDRM
COc1cc(C#N)ccc1S(=O)(=O)[N-]c1ncnn1C	ZINC000185630609	351452607	/nfs/dbraw/zinc/45/26/07/351452607.db2.gz	HUEHLLVVQIZBBX-UHFFFAOYSA-N	-1	0	293.308	0.496	20	30		CCEDRM
C=CC[C@H](CO)NC(=O)c1ccc([O-])c([N+](=O)[O-])c1	ZINC000185868330	351462911	/nfs/dbraw/zinc/46/29/11/351462911.db2.gz	MGPOWLCLZKEDMK-SECBINFHSA-N	-1	0	266.253	0.967	20	30		CCEDRM
Cc1noc(C)c1S(=O)(=O)[N-]c1nn(C)cc1C#N	ZINC000123339951	187086203	/nfs/dbraw/zinc/08/62/03/187086203.db2.gz	SLQCSLFGCMTXLS-UHFFFAOYSA-N	-1	0	281.297	0.697	20	30		CCEDRM
C[C@H](CNc1nccc(C#N)c1[N+](=O)[O-])C(=O)[O-]	ZINC000214600701	351932623	/nfs/dbraw/zinc/93/26/23/351932623.db2.gz	OJJUYQVWMVYEJM-ZCFIWIBFSA-N	-1	0	250.214	0.994	20	30		CCEDRM
CC[C@@H](NS(=O)(=O)c1cccnc1C#N)C(=O)[O-]	ZINC000233901942	352153482	/nfs/dbraw/zinc/15/34/82/352153482.db2.gz	UQPOKIGMEUQSRI-SSDOTTSWSA-N	-1	0	269.282	0.095	20	30		CCEDRM
Cc1noc(C[N-]S(=O)(=O)c2cccnc2C#N)n1	ZINC000235976884	352190517	/nfs/dbraw/zinc/19/05/17/352190517.db2.gz	QVLNPZGVGQQLLA-UHFFFAOYSA-N	-1	0	279.281	0.123	20	30		CCEDRM
Cn1cc(CNS(=O)(=O)c2cccnc2C#N)cn1	ZINC000236085362	352191131	/nfs/dbraw/zinc/19/11/31/352191131.db2.gz	LRRAVMFGDAJSGG-UHFFFAOYSA-N	-1	0	277.309	0.165	20	30		CCEDRM
C=CCCCCNC(=O)c1cnc([O-])n(C)c1=O	ZINC000274714990	353155527	/nfs/dbraw/zinc/15/55/27/353155527.db2.gz	RGVYTQWDQJVJPC-UHFFFAOYSA-N	-1	0	251.286	0.572	20	30		CCEDRM
C#C[C@@H](C)NC(=O)C(C)(C)[N-]C(=O)C(F)(F)F	ZINC000277250471	353232632	/nfs/dbraw/zinc/23/26/32/353232632.db2.gz	DWGFIGLRQGOOTM-ZCFIWIBFSA-N	-1	0	250.220	0.581	20	30		CCEDRM
C[C@@H](C(=O)N(C)C)S(=O)(=O)[N-]c1ncccc1C#N	ZINC000283743529	353526339	/nfs/dbraw/zinc/52/63/39/353526339.db2.gz	AYDKSVJDTKSBAF-QMMMGPOBSA-N	-1	0	282.325	0.172	20	30		CCEDRM
C[C@@H](CC(=O)[O-])NS(=O)(=O)c1ccc(C#N)o1	ZINC000287079273	353626292	/nfs/dbraw/zinc/62/62/92/353626292.db2.gz	BZGAYTDLQAJNOR-LURJTMIESA-N	-1	0	258.255	0.293	20	30		CCEDRM
N#Cc1cc(C(=O)NCc2n[n-]c(=N)o2)ccc1Cl	ZINC000556981012	291018588	/nfs/dbraw/zinc/01/85/88/291018588.db2.gz	XJJPUVSWYDIMHX-UHFFFAOYSA-N	-1	0	277.671	0.937	20	30		CCEDRM
Cc1nnc(C[N-]S(=O)(=O)c2ccc(C#N)o2)s1	ZINC000557832961	291045476	/nfs/dbraw/zinc/04/54/76/291045476.db2.gz	BBOXZUVJXRLGFT-UHFFFAOYSA-N	-1	0	284.322	0.790	20	30		CCEDRM
CN1CC[C@@H](C(=O)N=c2[nH][n-]c(C3CC3)c2C#N)CC1=O	ZINC000557929780	291047603	/nfs/dbraw/zinc/04/76/03/291047603.db2.gz	XFSKELOSDMHRKW-SECBINFHSA-N	-1	0	287.323	0.388	20	30		CCEDRM
COc1n[nH]c([N-]S(=O)(=O)c2ccc(C#N)c(F)c2)n1	ZINC000427762050	235379305	/nfs/dbraw/zinc/37/93/05/235379305.db2.gz	GTHJOSSWQXATRO-UHFFFAOYSA-N	-1	0	297.271	0.625	20	30		CCEDRM
N#Cc1ccnc(C(=O)N=c2[n-]ncn2-c2cccnc2)c1	ZINC000360596236	138002199	/nfs/dbraw/zinc/00/21/99/138002199.db2.gz	LVRUUMKCTWWLJI-UHFFFAOYSA-N	-1	0	291.274	0.603	20	30		CCEDRM
CC(C)n1cc(C#N)c(=NC(=O)C(=O)NCCCCF)[n-]1	ZINC000361929776	138038623	/nfs/dbraw/zinc/03/86/23/138038623.db2.gz	KNOVSSVNQHQVTB-UHFFFAOYSA-N	-1	0	295.318	0.562	20	30		CCEDRM
N#Cc1ccnc(C(=O)NCCCc2n[nH]c(=O)[n-]2)c1	ZINC000354337749	356393226	/nfs/dbraw/zinc/39/32/26/356393226.db2.gz	YJZZKDOVLSLUKV-UHFFFAOYSA-N	-1	0	272.268	0.140	20	30		CCEDRM
N#Cc1c(C2CC2)[n-][nH]c1=NC(=O)c1ccc2nncn2c1	ZINC000359715896	356877197	/nfs/dbraw/zinc/87/71/97/356877197.db2.gz	JUQUFFPNYKOQTC-UHFFFAOYSA-N	-1	0	293.290	0.876	20	30		CCEDRM
N#Cc1ccc(CC(=O)NCc2n[nH]c(=O)[n-]2)cc1	ZINC000359820129	356903051	/nfs/dbraw/zinc/90/30/51/356903051.db2.gz	RPLAQJQUZIYYIA-UHFFFAOYSA-N	-1	0	257.253	0.241	20	30		CCEDRM
COCC[C@@H](C)NC(=O)N=c1[n-]n(C)cc1C#N	ZINC000610528034	363572451	/nfs/dbraw/zinc/57/24/51/363572451.db2.gz	HWXRUIDKUNPRKH-MRVPVSSYSA-N	-1	0	251.290	0.260	20	30		CCEDRM
Cn1cc(C#N)c(=NC(=O)N2CCC[C@@H](c3ncc[nH]3)C2)[n-]1	ZINC000610560451	363575115	/nfs/dbraw/zinc/57/51/15/363575115.db2.gz	IHRGIBANAVYUJS-SNVBAGLBSA-N	-1	0	299.338	0.848	20	30		CCEDRM
CC(C)OCCCNC(=O)N=c1[n-]n(C)cc1C#N	ZINC000610560408	363575354	/nfs/dbraw/zinc/57/53/54/363575354.db2.gz	CBTOKCHZDPVDIR-UHFFFAOYSA-N	-1	0	265.317	0.650	20	30		CCEDRM
CCCCCN(CCO)C(=O)N=c1[n-]n(C)cc1C#N	ZINC000610562203	363576984	/nfs/dbraw/zinc/57/69/84/363576984.db2.gz	KSXDXPLBTIBLPS-UHFFFAOYSA-N	-1	0	279.344	0.730	20	30		CCEDRM
CCC(CC)[C@H](O)CNC(=O)N=c1[n-]n(C)cc1C#N	ZINC000610564728	363578738	/nfs/dbraw/zinc/57/87/38/363578738.db2.gz	LGUXFJBDLCEDMK-LLVKDONJSA-N	-1	0	279.344	0.632	20	30		CCEDRM
Cc1[n-][nH]c(=NC(=O)[C@@H]2CC23CCOCC3)c1C#N	ZINC000365979860	357181247	/nfs/dbraw/zinc/18/12/47/357181247.db2.gz	OVYYREQJPULPEM-JTQLQIEISA-N	-1	0	260.297	0.767	20	30		CCEDRM
CCN1CCO[C@H](C(=O)N=c2[nH][n-]c(C3CC3)c2C#N)C1	ZINC000377137150	357542372	/nfs/dbraw/zinc/54/23/72/357542372.db2.gz	XYDMDNOZLFXCEG-NSHDSACASA-N	-1	0	289.339	0.240	20	30		CCEDRM
C[C@]1(C(=O)N=c2[nH][n-]c(C3CC3)c2C#N)CCOC1	ZINC000408173062	357952570	/nfs/dbraw/zinc/95/25/70/357952570.db2.gz	FCKZSYXXGIGNOA-ZDUSSCGKSA-N	-1	0	260.297	0.946	20	30		CCEDRM
N#CCc1ccc(CS(=O)(=O)NCC(=O)[O-])cc1	ZINC000563148235	358556629	/nfs/dbraw/zinc/55/66/29/358556629.db2.gz	OMQSRBBHQXRLAM-UHFFFAOYSA-N	-1	0	268.294	0.257	20	30		CCEDRM
C=C1C[C@H]2CC[C@@H](C1)N2C(=O)c1cnc([O-])n(C)c1=O	ZINC000620309476	366482218	/nfs/dbraw/zinc/48/22/18/366482218.db2.gz	QGGKYECYRXWHPR-AOOOYVTPSA-N	-1	0	275.308	0.809	20	30		CCEDRM
Cn1cc(C#N)c(=NC(=O)N[C@H]2CCOC3(CCC3)C2)[n-]1	ZINC000610876664	363625064	/nfs/dbraw/zinc/62/50/64/363625064.db2.gz	LTTHVBGVJGZKFL-NSHDSACASA-N	-1	0	289.339	0.937	20	30		CCEDRM
C[C@@H](O)[C@H]1CCCN(C(=O)N=c2[n-]n(C)cc2C#N)C1	ZINC000610964595	363638945	/nfs/dbraw/zinc/63/89/45/363638945.db2.gz	FDHDEVGMYBOEPJ-ZJUUUORDSA-N	-1	0	277.328	0.338	20	30		CCEDRM
Cn1cc(C#N)c(=NC(=O)N2CCC[C@@H]2[C@@H]2CCCO2)[n-]1	ZINC000585797455	359277218	/nfs/dbraw/zinc/27/72/18/359277218.db2.gz	YMHRHOYHIIDTGF-NEPJUHHUSA-N	-1	0	289.339	0.889	20	30		CCEDRM
Cn1cc(C#N)c(=NC(=O)N2CCOc3ncccc3C2)[n-]1	ZINC000585798086	359277466	/nfs/dbraw/zinc/27/74/66/359277466.db2.gz	OBTAYQYGOOJRKQ-UHFFFAOYSA-N	-1	0	298.306	0.535	20	30		CCEDRM
Cn1cc(C#N)c(=NC(=O)N[C@@H]2CCCCC[C@H]2O)[n-]1	ZINC000588259618	359319704	/nfs/dbraw/zinc/31/97/04/359319704.db2.gz	ADNHFIZYKQEMIU-GHMZBOCLSA-N	-1	0	277.328	0.529	20	30		CCEDRM
Cn1ncc(C(=O)N=c2[nH][n-]c(C3CC3)c2C#N)c1N	ZINC000588767924	359336223	/nfs/dbraw/zinc/33/62/23/359336223.db2.gz	ANHHHTTUZKRTGL-UHFFFAOYSA-N	-1	0	271.284	0.149	20	30		CCEDRM
Cn1cc(C#N)c(=NC(=O)NCCc2ccc(O)cc2)[n-]1	ZINC000611080332	363655997	/nfs/dbraw/zinc/65/59/97/363655997.db2.gz	SPXOQSADRRDKCE-UHFFFAOYSA-N	-1	0	285.307	0.783	20	30		CCEDRM
Cn1cc(C#N)c(=NC(=O)NCC(C)(C)C(C)(C)O)[n-]1	ZINC000590819595	359526677	/nfs/dbraw/zinc/52/66/77/359526677.db2.gz	NZYWOKRVTPUGKD-UHFFFAOYSA-N	-1	0	279.344	0.632	20	30		CCEDRM
N#Cc1c(N2CCO[C@H](C(=O)[O-])C2)nc2ccccn21	ZINC000591325365	359577642	/nfs/dbraw/zinc/57/76/42/359577642.db2.gz	IOCJGANWCGNMKN-JTQLQIEISA-N	-1	0	272.264	0.496	20	30		CCEDRM
C[C@@H]1CC(NC(=O)N=c2[n-]n(C)cc2C#N)C[C@@H](C)O1	ZINC000611245807	363697019	/nfs/dbraw/zinc/69/70/19/363697019.db2.gz	VSWFAWONPLNEDQ-RKDXNWHRSA-N	-1	0	277.328	0.791	20	30		CCEDRM
Cn1cc(C#N)c(=NC(=O)N[C@]2(C)CCCOC2)[n-]1	ZINC000611322766	363707805	/nfs/dbraw/zinc/70/78/05/363707805.db2.gz	FSVFGRAVBGXNQX-GFCCVEGCSA-N	-1	0	263.301	0.404	20	30		CCEDRM
CC#CC[C@H](CO)NC(=O)c1cccc([N+](=O)[O-])c1[O-]	ZINC000592922461	359981634	/nfs/dbraw/zinc/98/16/34/359981634.db2.gz	BECSLKCJLCTGRE-SECBINFHSA-N	-1	0	278.264	0.805	20	30		CCEDRM
C[C@@H](CC#N)N(C)S(=O)(=O)N(CC(=O)[O-])CC1CC1	ZINC000593222721	360052410	/nfs/dbraw/zinc/05/24/10/360052410.db2.gz	SUEVHDLTOGQLLA-VIFPVBQESA-N	-1	0	289.357	0.262	20	30		CCEDRM
C[C@@H](CC#N)N(C)S(=O)(=O)N1CCC[C@]1(C)C(=O)[O-]	ZINC000593270396	360058637	/nfs/dbraw/zinc/05/86/37/360058637.db2.gz	QYLTXTPRSDZWMH-GXSJLCMTSA-N	-1	0	289.357	0.404	20	30		CCEDRM
CC[C@H](C#N)C(=O)N1CCC[C@@H](c2n[nH]c(=O)[n-]2)C1	ZINC000593688067	360136424	/nfs/dbraw/zinc/13/64/24/360136424.db2.gz	HMYKLHKKNYPFJD-RKDXNWHRSA-N	-1	0	263.301	0.766	20	30		CCEDRM
N#CCCCS(=O)(=O)N(CC(=O)[O-])C1CCC1	ZINC000593944942	360221262	/nfs/dbraw/zinc/22/12/62/360221262.db2.gz	BGOLMKUJXFMAKH-UHFFFAOYSA-N	-1	0	260.315	0.559	20	30		CCEDRM
CCN(CCC#N)S(=O)(=O)N(CC(=O)[O-])C1CCC1	ZINC000593945854	360221471	/nfs/dbraw/zinc/22/14/71/360221471.db2.gz	ZJLLLRDSYWIJOI-UHFFFAOYSA-N	-1	0	289.357	0.406	20	30		CCEDRM
CCN(C[C@H](C)C#N)S(=O)(=O)N[C@H](CCF)C(=O)[O-]	ZINC000594573224	360333069	/nfs/dbraw/zinc/33/30/69/360333069.db2.gz	LDXXSBATCNIHGN-RKDXNWHRSA-N	-1	0	295.336	0.115	20	30		CCEDRM
N#CC1(CNS(=O)(=O)c2ccccc2[O-])CC1	ZINC000594780954	360381991	/nfs/dbraw/zinc/38/19/91/360381991.db2.gz	JBZAHCXOIZEDFD-UHFFFAOYSA-N	-1	0	252.295	0.974	20	30		CCEDRM
CC12CC(C(=O)[O-])(C1)N(S(=O)(=O)CC1(CC#N)CC1)C2	ZINC000594674342	360358599	/nfs/dbraw/zinc/35/85/99/360358599.db2.gz	WRZGMTCHKBNHGY-UHFFFAOYSA-N	-1	0	298.364	0.949	20	30		CCEDRM
N#CC1(CNC(=O)N2CCO[C@H](C(=O)[O-])C2)CCCCC1	ZINC000595261944	360464403	/nfs/dbraw/zinc/46/44/03/360464403.db2.gz	BQFSVCPYUJRORE-NSHDSACASA-N	-1	0	295.339	0.955	20	30		CCEDRM
CC#CC[C@H](NS(=O)(=O)c1ccc(F)cc1)C(=O)[O-]	ZINC000275054334	192893887	/nfs/dbraw/zinc/89/38/87/192893887.db2.gz	SXWQLLQVKMYOJB-NSHDSACASA-N	-1	0	285.296	0.971	20	30		CCEDRM
COC(=O)c1ccc(N(C)C[C@H](C)C(=O)[O-])c(C#N)n1	ZINC000595970289	360743879	/nfs/dbraw/zinc/74/38/79/360743879.db2.gz	VNHXYFAGCXREQG-QMMMGPOBSA-N	-1	0	277.280	0.897	20	30		CCEDRM
N#Cc1nc(N[C@@H]2C[C@@H](C(=O)[O-])C[C@@H]2O)ccc1Cl	ZINC000595975313	360750446	/nfs/dbraw/zinc/75/04/46/360750446.db2.gz	ARGASINBYNJEQB-YNEQXMIYSA-N	-1	0	281.699	0.665	20	30		CCEDRM
N#Cc1cnc(N2CCO[C@H](C(=O)[O-])C2)c(F)c1	ZINC000595966632	360741452	/nfs/dbraw/zinc/74/14/52/360741452.db2.gz	SCMGQKQEPXVMBC-VIFPVBQESA-N	-1	0	251.217	0.382	20	30		CCEDRM
N#Cc1ccc(O[C@@H]2CCN(CC(=O)[O-])C2=O)cc1	ZINC000596008619	360773823	/nfs/dbraw/zinc/77/38/23/360773823.db2.gz	KMHFPHDKGDTGNZ-LLVKDONJSA-N	-1	0	260.249	0.623	20	30		CCEDRM
N#Cc1nc(NC(=O)C2CN(CC(F)(F)F)C2)[n-]c1C#N	ZINC000563742088	291249731	/nfs/dbraw/zinc/24/97/31/291249731.db2.gz	DYKUKBVMXLYRSB-UHFFFAOYSA-N	-1	0	298.228	0.586	20	30		CCEDRM
CN=c1[n-]nc(CC(=O)N2CCC[C@H](CC#N)C2)s1	ZINC000597906110	361281183	/nfs/dbraw/zinc/28/11/83/361281183.db2.gz	UUUHRWFXYNAXBM-SECBINFHSA-N	-1	0	279.369	0.696	20	30		CCEDRM
Cc1nn(C)cc1S(=O)(=O)[N-]c1ncccc1C#N	ZINC000342569412	216406701	/nfs/dbraw/zinc/40/67/01/216406701.db2.gz	PPACBSYDPVPFSH-UHFFFAOYSA-N	-1	0	277.309	0.796	20	30		CCEDRM
Cn1cc(C#N)c(=NC(=O)N2CCC[C@]2(C)CO)[n-]1	ZINC000612752045	364008253	/nfs/dbraw/zinc/00/82/53/364008253.db2.gz	OCACSPLGVQYGOY-GFCCVEGCSA-N	-1	0	263.301	0.092	20	30		CCEDRM
CCOC(=O)c1c([N-]S(C)(=O)=O)c(C#N)cn1CC	ZINC000564808066	291302616	/nfs/dbraw/zinc/30/26/16/291302616.db2.gz	FXYYSKJDODSNNJ-UHFFFAOYSA-N	-1	0	285.325	0.928	20	30		CCEDRM
C=C[C@@](C)(O)C(=O)N1CCC(c2n[nH]c(=O)[n-]2)CC1	ZINC000614260163	364552176	/nfs/dbraw/zinc/55/21/76/364552176.db2.gz	RQBBPGGSSFXART-GFCCVEGCSA-N	-1	0	266.301	0.153	20	30		CCEDRM
CC(C)(C)n1cnc(=NC(=O)c2cc(C#N)ccn2)[n-]1	ZINC000330760303	203199979	/nfs/dbraw/zinc/19/99/79/203199979.db2.gz	LJFBUMVCRDVNLU-UHFFFAOYSA-N	-1	0	270.296	0.974	20	30		CCEDRM
C=C(C)CS(=O)(=O)N1C[C@H](OC)C[C@]1(C)C(=O)[O-]	ZINC000629308574	369628354	/nfs/dbraw/zinc/62/83/54/369628354.db2.gz	SBIZUZYPSZACPS-MWLCHTKSSA-N	-1	0	277.342	0.456	20	30		CCEDRM
C[C@@H](C(=O)N=c1[n-]n(C(C)(C)C)cc1C#N)n1cncn1	ZINC000330977508	203436211	/nfs/dbraw/zinc/43/62/11/203436211.db2.gz	IJGYYYXFDOUBGL-VIFPVBQESA-N	-1	0	287.327	0.723	20	30		CCEDRM
C=CC[C@@H]1CCN(C(=O)C(=O)N2CCC(C(=O)[O-])CC2)C1	ZINC000629778511	369773891	/nfs/dbraw/zinc/77/38/91/369773891.db2.gz	BFOZKVDUWYKPAO-LLVKDONJSA-N	-1	0	294.351	0.734	20	30		CCEDRM
C=C(C)C[C@@H](NC(=O)CCc1ccnn1C)C(=O)[O-]	ZINC000630320580	370045854	/nfs/dbraw/zinc/04/58/54/370045854.db2.gz	ZWSDEDUCPYZSAD-LLVKDONJSA-N	-1	0	265.313	0.888	20	30		CCEDRM
C=C(C)C[C@H](NC(=O)[C@@H]1CCCS1(=O)=O)C(=O)[O-]	ZINC000630321802	370046809	/nfs/dbraw/zinc/04/68/09/370046809.db2.gz	NFXRWZAUVUQTRE-IUCAKERBSA-N	-1	0	275.326	0.099	20	30		CCEDRM
C=CCC[C@@H](NC(=O)c1cccn(C)c1=O)C(=O)[O-]	ZINC000630181624	369994097	/nfs/dbraw/zinc/99/40/97/369994097.db2.gz	JCPKHNFHEPLWMO-SNVBAGLBSA-N	-1	0	264.281	0.535	20	30		CCEDRM
C=C(C)C[C@@H](NS(=O)(=O)N(C)CC1CC1)C(=O)[O-]	ZINC000630438563	370117592	/nfs/dbraw/zinc/11/75/92/370117592.db2.gz	RPWKNNLFWLDVFZ-SNVBAGLBSA-N	-1	0	276.358	0.582	20	30		CCEDRM
C=C(C)CS(=O)(=O)N1CC2(C)CC1(C(=O)[O-])C2	ZINC000656522968	412815972	/nfs/dbraw/zinc/81/59/72/412815972.db2.gz	PXHCKXZQXZOHQW-UHFFFAOYSA-N	-1	0	259.327	0.831	20	30		CCEDRM
C=CCC[C@@H](NC(=O)c1cnn2c1CCC2)C(=O)[O-]	ZINC000637794701	374317907	/nfs/dbraw/zinc/31/79/07/374317907.db2.gz	MHXCZJVREQPTCL-SNVBAGLBSA-N	-1	0	263.297	0.979	20	30		CCEDRM
C=CCCn1cc(CN[C@]2(C(=O)[O-])CCOC2)nn1	ZINC000656574002	412828658	/nfs/dbraw/zinc/82/86/58/412828658.db2.gz	SGNHCPCGLAAFPO-GFCCVEGCSA-N	-1	0	266.301	0.188	20	30		CCEDRM
O=C(N=c1[n-]nc(CC(F)(F)F)s1)NCC#CCO	ZINC000639829849	376038415	/nfs/dbraw/zinc/03/84/15/376038415.db2.gz	HFFZVRQNVBTWAI-UHFFFAOYSA-N	-1	0	294.258	0.182	20	30		CCEDRM
Cc1nn(C)cc1S(=O)(=O)[N-]c1n[nH]c(C)c1C#N	ZINC000288621796	197129559	/nfs/dbraw/zinc/12/95/59/197129559.db2.gz	QNIDUODJQONIIO-UHFFFAOYSA-N	-1	0	280.313	0.433	20	30		CCEDRM
N#Cc1nccc(N2CCC[C@H](c3n[nH]c(=O)[n-]3)C2)n1	ZINC000521645372	285285346	/nfs/dbraw/zinc/28/53/46/285285346.db2.gz	GCFYJXCJDQVGGP-QMMMGPOBSA-N	-1	0	271.284	0.556	20	30		CCEDRM
C#CCO[N-]C(=O)[C@H]1CC(=O)N(C)[C@@H]1c1cccnc1	ZINC000291010473	388916384	/nfs/dbraw/zinc/91/63/84/388916384.db2.gz	AVJMIPAJXBVHNB-WCQYABFASA-N	-1	0	273.292	0.282	20	30		CCEDRM
C#CCO[N-]C(=O)[C@@H](C)NS(=O)(=O)c1cccs1	ZINC000291360979	388920844	/nfs/dbraw/zinc/92/08/44/388920844.db2.gz	YFWUGHLOCPNINL-MRVPVSSYSA-N	-1	0	288.350	0.096	20	30		CCEDRM
C=C[C@H](CO)NC(=O)CSc1n[n-]c(=S)s1	ZINC000292820749	388960587	/nfs/dbraw/zinc/96/05/87/388960587.db2.gz	VXSSOSJKSCBMDV-RXMQYKEDSA-N	-1	0	277.396	0.582	20	30		CCEDRM
C=CCCCS(=O)(=O)N[C@H](CC(=O)CC)C(=O)[O-]	ZINC000291816725	388938250	/nfs/dbraw/zinc/93/82/50/388938250.db2.gz	DNNSXEKKXSLXNZ-SNVBAGLBSA-N	-1	0	277.342	0.694	20	30		CCEDRM
C=CCCCS(=O)(=O)N[C@@H](CCOC)C(=O)[O-]	ZINC000291855930	388941069	/nfs/dbraw/zinc/94/10/69/388941069.db2.gz	JHJQMSRLIJXNSF-VIFPVBQESA-N	-1	0	265.331	0.362	20	30		CCEDRM
C=CCN1CC[C@H](N(C)C(=O)N=c2[n-]ncs2)C1=O	ZINC000337244079	389057925	/nfs/dbraw/zinc/05/79/25/389057925.db2.gz	HSAQLRQCQWFSNP-QMMMGPOBSA-N	-1	0	281.341	0.211	20	30		CCEDRM
C=CCCO[C@H](C)C(=O)NC(C)(C)c1nnn[n-]1	ZINC000359802506	389183882	/nfs/dbraw/zinc/18/38/82/389183882.db2.gz	UDEUFJMYSASLJG-MRVPVSSYSA-N	-1	0	253.306	0.532	20	30		CCEDRM
C#CCNC(=O)c1c(C)[n-]n(-c2nc(C)cc(C)n2)c1=O	ZINC000128567817	389177350	/nfs/dbraw/zinc/17/73/50/389177350.db2.gz	VSDSAHXFXQBFIW-NSHDSACASA-N	-1	0	285.307	0.182	20	30		CCEDRM
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C=CCN(CC(=O)[O-])S(=O)(=O)N1C[C@@H](C)C[C@H](C)C1	ZINC000092463781	327208885	/nfs/dbraw/zinc/20/88/85/327208885.db2.gz	LZLUVABMWUSUEI-QWRGUYRKSA-N	-1	0	290.385	0.782	20	30		CCEDRM
C=C(C)[C@H]1OCC[C@H]1CNC(=O)N[C@H](C)C(=O)[O-]	ZINC000560488322	327313757	/nfs/dbraw/zinc/31/37/57/327313757.db2.gz	XMOICYNDNWZHIC-KXUCPTDWSA-N	-1	0	256.302	0.740	20	30		CCEDRM
C[C@@H](CC#N)N(C)S(=O)(=O)N[C@@H]1CC[C@H](C(=O)[O-])C1	ZINC000564730025	327449551	/nfs/dbraw/zinc/44/95/51/327449551.db2.gz	ZRZYUZGKNCIBAG-LPEHRKFASA-N	-1	0	289.357	0.308	20	30		CCEDRM
C=CCOC[C@H](NC(=O)NCC(C)(C)OCC)C(=O)[O-]	ZINC000562647219	327502381	/nfs/dbraw/zinc/50/23/81/327502381.db2.gz	BQBOYDUOJRBETJ-JTQLQIEISA-N	-1	0	288.344	0.757	20	30		CCEDRM
C=CCC[C@H](NS(=O)(=O)CC[C@H]1CCOC1)C(=O)[O-]	ZINC000569683063	327534956	/nfs/dbraw/zinc/53/49/56/327534956.db2.gz	MKAAUHLKNKFPPQ-MNOVXSKESA-N	-1	0	291.369	0.752	20	30		CCEDRM
C=CCCC[C@@H](C)NC(=O)C(=O)NCCC(=O)[O-]	ZINC000420555330	329777848	/nfs/dbraw/zinc/77/78/48/329777848.db2.gz	JIXTUVSZVZTQFA-SECBINFHSA-N	-1	0	256.302	0.438	20	30		CCEDRM
C=C(C)CS(=O)(=O)N[C@H](C(=O)[O-])c1cnn(C)c1	ZINC000572004882	329936707	/nfs/dbraw/zinc/93/67/07/329936707.db2.gz	LYFZHKKPAQTIPM-VIFPVBQESA-N	-1	0	273.314	0.041	20	30		CCEDRM
C=CCC[C@@H](NC(=O)COc1c(C)nn(C)c1C)C(=O)[O-]	ZINC000262780214	330031018	/nfs/dbraw/zinc/03/10/18/330031018.db2.gz	BAAHRNJIOWMOAW-LLVKDONJSA-N	-1	0	295.339	0.951	20	30		CCEDRM
C=CCC[C@H](NC(=O)c1ccc(C(=O)NC)nc1)C(=O)[O-]	ZINC000262873508	330035884	/nfs/dbraw/zinc/03/58/84/330035884.db2.gz	JWSDWMGARFTURF-NSHDSACASA-N	-1	0	291.307	0.590	20	30		CCEDRM
C=CCOC[C@@H](NC(=O)C1(C#N)CCCC1)C(=O)[O-]	ZINC000262894650	330036257	/nfs/dbraw/zinc/03/62/57/330036257.db2.gz	DFJOKXAFNJIRBA-SNVBAGLBSA-N	-1	0	266.297	0.842	20	30		CCEDRM
C=CCC[C@H](NC(=O)CCCNC(=O)C1CC1)C(=O)[O-]	ZINC000262919240	330036858	/nfs/dbraw/zinc/03/68/58/330036858.db2.gz	NWDQJBRAWWLOMC-NSHDSACASA-N	-1	0	282.340	0.828	20	30		CCEDRM
C=CCOc1cccnc1C(=O)NC[C@H](OC)C(=O)[O-]	ZINC000263156058	330046337	/nfs/dbraw/zinc/04/63/37/330046337.db2.gz	XSHFUJMIRHDOIF-JTQLQIEISA-N	-1	0	280.280	0.476	20	30		CCEDRM
C=CCCO[C@H](C)C(=O)N1CCOC[C@@H]1CC(=O)[O-]	ZINC000263272938	330051383	/nfs/dbraw/zinc/05/13/83/330051383.db2.gz	ILRFVUAPRBKLLW-MNOVXSKESA-N	-1	0	271.313	0.670	20	30		CCEDRM
C#CCNC(=O)c1ccc(N2CCC[C@H]2C(=O)[O-])nc1	ZINC000263448488	330056477	/nfs/dbraw/zinc/05/64/77/330056477.db2.gz	ZKRYXGAUTRDRAC-NSHDSACASA-N	-1	0	273.292	0.498	20	30		CCEDRM
CCC[C@@H](NS(=O)(=O)N(CC)CCC#N)C(=O)[O-]	ZINC000263484499	330057435	/nfs/dbraw/zinc/05/74/35/330057435.db2.gz	MAHMPDMJQIBKNG-SECBINFHSA-N	-1	0	277.346	0.310	20	30		CCEDRM
C[C@H]1CC[C@H](C(=O)[O-])CN1S(=O)(=O)N(C)CCC#N	ZINC000422552388	330149130	/nfs/dbraw/zinc/14/91/30/330149130.db2.gz	HCTVZJNOVVWZGZ-UWVGGRQHSA-N	-1	0	289.357	0.262	20	30		CCEDRM
C=CCOC[C@H](NC(=O)[C@@]12C[C@@H]1CCC2)C(=O)[O-]	ZINC000422572554	330149402	/nfs/dbraw/zinc/14/94/02/330149402.db2.gz	JWBUUHCWACUKAX-KWBADKCTSA-N	-1	0	253.298	0.949	20	30		CCEDRM
C=CCN(CC=C)C(=O)C(=O)N1C[C@H](C(=O)[O-])C[C@H](C)C1	ZINC000422702006	330151059	/nfs/dbraw/zinc/15/10/59/330151059.db2.gz	CXNOETVTMRCHOM-NWDGAFQWSA-N	-1	0	294.351	0.756	20	30		CCEDRM
C=CC1CCN(C(=O)C(=O)N2C[C@@H](C)[C@H](C(=O)[O-])C2)CC1	ZINC000422827598	330156646	/nfs/dbraw/zinc/15/66/46/330156646.db2.gz	SIRQNEXBZXMJIY-ZYHUDNBSSA-N	-1	0	294.351	0.590	20	30		CCEDRM
C=CCCCN(C)C(=O)C(=O)N1C[C@H](C)C[C@@H](C(=O)[O-])C1	ZINC000422837500	330156970	/nfs/dbraw/zinc/15/69/70/330156970.db2.gz	USVVZMKITBIVLH-VXGBXAGGSA-N	-1	0	296.367	0.980	20	30		CCEDRM
C[C@H]1CN(S(=O)(=O)CCCC#N)CC[C@H]1C(=O)[O-]	ZINC000527484132	330248915	/nfs/dbraw/zinc/24/89/15/330248915.db2.gz	HYSPHNMSJSLWOQ-VHSXEESVSA-N	-1	0	274.342	0.663	20	30		CCEDRM
C=CCCn1cc(C(=O)N(C)C[C@@H](C)C(=O)[O-])nn1	ZINC000424249585	330332033	/nfs/dbraw/zinc/33/20/33/330332033.db2.gz	PCCPGQGRWPJXLZ-SECBINFHSA-N	-1	0	266.301	0.647	20	30		CCEDRM
C=C[C@H](CO)NC(=O)NC[C@@H](CC(C)C)C(=O)[O-]	ZINC000424428094	330351746	/nfs/dbraw/zinc/35/17/46/330351746.db2.gz	WQSGTGPOQGQMMC-NXEZZACHSA-N	-1	0	258.318	0.579	20	30		CCEDRM
C=C[C@@H]1OCC[C@H]1CNC(=O)[C@H](C)O[C@@H](C)C(=O)[O-]	ZINC000424526326	330365626	/nfs/dbraw/zinc/36/56/26/330365626.db2.gz	BQXVVPAITSVPBQ-NAKRPEOUSA-N	-1	0	271.313	0.572	20	30		CCEDRM
C=CCC[C@H](NS(=O)(=O)C[C@H](C)OC)C(=O)[O-]	ZINC000516179296	330488012	/nfs/dbraw/zinc/48/80/12/330488012.db2.gz	KJDWQZLKOOLKII-IUCAKERBSA-N	-1	0	265.331	0.360	20	30		CCEDRM
CC#CCNC(=O)c1cc(S(=O)(=O)N(C)C)ccc1[O-]	ZINC000436786976	330685116	/nfs/dbraw/zinc/68/51/16/330685116.db2.gz	LQFBDNQJMQHKIA-UHFFFAOYSA-N	-1	0	296.348	0.396	20	30		CCEDRM
C=CCC[C@H](NC(=O)c1ccc(C(N)=O)s1)C(=O)[O-]	ZINC000448995555	330890434	/nfs/dbraw/zinc/89/04/34/330890434.db2.gz	QOOCVAJDPDMMSZ-ZETCQYMHSA-N	-1	0	282.321	0.996	20	30		CCEDRM
C#CCN(CC#CC)C(=O)C(=O)NCCC(C)(C)C(=O)[O-]	ZINC000491768255	332335667	/nfs/dbraw/zinc/33/56/67/332335667.db2.gz	HVFPMULALNNUFL-UHFFFAOYSA-N	-1	0	292.335	0.089	20	30		CCEDRM
C=CCS(=O)(=O)[N-]C(=O)/C=C/c1cscn1	ZINC000492381884	332394951	/nfs/dbraw/zinc/39/49/51/332394951.db2.gz	DOCMZGVSQDKPGA-ONEGZZNKSA-N	-1	0	258.324	0.788	20	30		CCEDRM
C#CCN(CC#C)S(=O)(=O)c1ccc(C(=O)[O-])cc1F	ZINC000185039220	333134628	/nfs/dbraw/zinc/13/46/28/333134628.db2.gz	SWJZBBMBRADPPD-UHFFFAOYSA-N	-1	0	295.291	0.781	20	30		CCEDRM
C=CCC[C@@H](NS(=O)(=O)C[C@@H](OC)C1CC1)C(=O)[O-]	ZINC000576156972	335161736	/nfs/dbraw/zinc/16/17/36/335161736.db2.gz	UISWSSNKKJZWDU-GHMZBOCLSA-N	-1	0	291.369	0.750	20	30		CCEDRM
C=CCN(CC(=O)[O-])S(=O)(=O)N(C)[C@H](C)C1CC1	ZINC000547915162	334129361	/nfs/dbraw/zinc/12/93/61/334129361.db2.gz	ZPYDTIMTNMBDMD-SECBINFHSA-N	-1	0	276.358	0.534	20	30		CCEDRM
N#CC1(CS(=O)(=O)N2CCC[C@H](CC(=O)[O-])C2)CC1	ZINC000547912647	334129382	/nfs/dbraw/zinc/12/93/82/334129382.db2.gz	FHXYUADDLQCVSY-SNVBAGLBSA-N	-1	0	286.353	0.807	20	30		CCEDRM
N#CC1(CS(=O)(=O)N[C@H](C(=O)[O-])C2CCC2)CC1	ZINC000547939867	334129994	/nfs/dbraw/zinc/12/99/94/334129994.db2.gz	NHUJOUDGQVSAHZ-VIFPVBQESA-N	-1	0	272.326	0.463	20	30		CCEDRM
N#CC1(CS(=O)(=O)N2C[C@H]3C[C@@]3(C(=O)[O-])C2)CC1	ZINC000555129979	334469324	/nfs/dbraw/zinc/46/93/24/334469324.db2.gz	TXCFDNUKMNHEFN-LDYMZIIASA-N	-1	0	270.310	0.026	20	30		CCEDRM
C=C[C@@H](CCC(=O)[O-])NS(=O)(=O)N1CCC[C@@H]1C	ZINC000565523729	334570874	/nfs/dbraw/zinc/57/08/74/334570874.db2.gz	GSMOXVDYDXZEPD-UWVGGRQHSA-N	-1	0	276.358	0.725	20	30		CCEDRM
C=CCOC[C@@H](NS(=O)(=O)c1ccccc1)C(=O)[O-]	ZINC000566618382	334657581	/nfs/dbraw/zinc/65/75/81/334657581.db2.gz	IWRDHVGRHGEZRB-LLVKDONJSA-N	-1	0	285.321	0.621	20	30		CCEDRM
Cc1nn(C)cc1S(=O)(=O)[N-]c1cc(C)c(C#N)cn1	ZINC000576887410	335261144	/nfs/dbraw/zinc/26/11/44/335261144.db2.gz	VHIKBOBXVZYBFE-UHFFFAOYSA-N	-1	0	291.336	0.526	20	30		CCEDRM
C=C(C)CS(=O)(=O)N1[C@@H](C)SC[C@@H]1C(=O)[O-]	ZINC000577758256	335398167	/nfs/dbraw/zinc/39/81/67/335398167.db2.gz	XRBWKNBJJWHOBC-HTQZYQBOSA-N	-1	0	265.356	0.740	20	30		CCEDRM
Cc1cc([N-]S(=O)(=O)CCOCC2CC2)ncc1C#N	ZINC000577747006	335396432	/nfs/dbraw/zinc/39/64/32/335396432.db2.gz	OBZAYWPGYFWRIU-UHFFFAOYSA-N	-1	0	295.364	0.852	20	30		CCEDRM
C=C(C)CS(=O)(=O)N1[C@H](C)SC[C@@H]1C(=O)[O-]	ZINC000577758257	335398268	/nfs/dbraw/zinc/39/82/68/335398268.db2.gz	XRBWKNBJJWHOBC-JGVFFNPUSA-N	-1	0	265.356	0.740	20	30		CCEDRM
C=CCOC[C@H](NC(=O)NCc1ncoc1C)C(=O)[O-]	ZINC000581288507	336037300	/nfs/dbraw/zinc/03/73/00/336037300.db2.gz	YRPKCTHCRUROND-JTQLQIEISA-N	-1	0	283.284	0.438	20	30		CCEDRM
CC(C)(CC(=O)Cn1c(=O)[n-]cc(C#N)c1=O)C1CC1	ZINC000581884045	336159285	/nfs/dbraw/zinc/15/92/85/336159285.db2.gz	PWTRBJPHDAFRIS-UHFFFAOYSA-N	-1	0	275.308	0.804	20	30		CCEDRM
C=C[C@@H](CCC(=O)[O-])NS(=O)(=O)c1cnc2n1CCC2	ZINC000581928683	336170313	/nfs/dbraw/zinc/17/03/13/336170313.db2.gz	TZOJHELZZJFAHT-VIFPVBQESA-N	-1	0	299.352	0.527	20	30		CCEDRM
N#CCN(CC(=O)[O-])C(=O)CC[C@H]1CCCCO1	ZINC000739077101	582101465	/nfs/dbraw/zinc/10/14/65/582101465.db2.gz	HOZJDGSORTZZKB-SNVBAGLBSA-N	-1	0	254.286	0.772	20	30		CCEDRM
O=C(N=c1cn[n-]s1)N1CCC(N2CN=NC2=O)CC1	ZINC000329072664	534331292	/nfs/dbraw/zinc/33/12/92/534331292.db2.gz	ZQOXIQPVIUSCLX-UHFFFAOYSA-N	-1	0	295.328	0.718	20	30		CCEDRM
Cn1c(C#N)ccc1C(=O)NC1(c2nnn[n-]2)CCCC1	ZINC000449931340	534674273	/nfs/dbraw/zinc/67/42/73/534674273.db2.gz	YOFXHMBJFNRLOX-UHFFFAOYSA-N	-1	0	285.311	0.609	20	30		CCEDRM
C=CCCO[C@H](C)C(=O)N[C@@](C)(COC)C(=O)[O-]	ZINC000262047904	534783516	/nfs/dbraw/zinc/78/35/16/534783516.db2.gz	FBURFJBRMUIZBW-SKDRFNHKSA-N	-1	0	259.302	0.574	20	30		CCEDRM
CC[C@@H]1CC[C@H](C(=O)NCCc2n[n-]c(=N)o2)O1	ZINC000329115682	529338528	/nfs/dbraw/zinc/33/85/28/529338528.db2.gz	SXIPERLOMKLSFH-HTQZYQBOSA-N	-1	0	254.290	0.939	20	30		CCEDRM
C=CC[C@@H](NS(=O)(=O)N1CC[C@H](C)C1)C(=O)[O-]	ZINC000681558712	545456198	/nfs/dbraw/zinc/45/61/98/545456198.db2.gz	VSMWIRVXRVHINY-DTWKUNHWSA-N	-1	0	262.331	0.192	20	30		CCEDRM
C=CCN(CC(=O)[O-])S(=O)(=O)c1c[nH]c(C(C)C)n1	ZINC000681586767	545457202	/nfs/dbraw/zinc/45/72/02/545457202.db2.gz	FMCSWXOJCDHZQM-UHFFFAOYSA-N	-1	0	287.341	0.794	20	30		CCEDRM
N#CCN(CC(=O)[O-])C(=O)COc1ccc(C#N)cc1	ZINC000739078297	581172167	/nfs/dbraw/zinc/17/21/67/581172167.db2.gz	DPFMWWPGVZQPFT-UHFFFAOYSA-N	-1	0	273.248	0.374	20	30		CCEDRM
Cc1nn(CC(=O)N(CC#N)CC(=O)[O-])c(C)c1Cl	ZINC000738921942	581187487	/nfs/dbraw/zinc/18/74/87/581187487.db2.gz	VMWIEMRHKKTBFN-UHFFFAOYSA-N	-1	0	284.703	0.590	20	30		CCEDRM
C#CCCS(=O)(=O)[N-]C(=O)c1ccc(COC)cc1	ZINC000791110289	581207716	/nfs/dbraw/zinc/20/77/16/581207716.db2.gz	AYZGHMFXUMFTOY-UHFFFAOYSA-N	-1	0	281.333	0.916	20	30		CCEDRM
CS(=O)(=O)CCNN=Cc1ccc(O)c(C(=O)[O-])c1	ZINC000777436242	581115448	/nfs/dbraw/zinc/11/54/48/581115448.db2.gz	DIIDWSBEVJHXKC-UHFFFAOYSA-N	-1	0	286.309	0.059	20	30		CCEDRM
N#Cc1ccc([C@@H](O)C(=O)[N-]OC[C@@H]2CCOC2)cc1	ZINC000788573578	581116849	/nfs/dbraw/zinc/11/68/49/581116849.db2.gz	GLMRFIJYAMEQJF-DGCLKSJQSA-N	-1	0	276.292	0.676	20	30		CCEDRM
CCN(C[C@@H](C)C#N)C(=O)CN1CC[C@@H](NC(=O)[O-])C1	ZINC000739404859	581132001	/nfs/dbraw/zinc/13/20/01/581132001.db2.gz	SAVGPSNILGYQSH-WDEREUQCSA-N	-1	0	282.344	0.336	20	30		CCEDRM
CCc1cncc(C([O-])=C(C#N)C(=O)NCCOC)c1	ZINC000789402893	581147641	/nfs/dbraw/zinc/14/76/41/581147641.db2.gz	HYYKPWFKHDFNPY-LBPRGKRZSA-N	-1	0	275.308	0.729	20	30		CCEDRM
COCCO[N-]C(=O)C(=O)Nc1cc(C#N)ccc1Cl	ZINC000789820893	581158109	/nfs/dbraw/zinc/15/81/09/581158109.db2.gz	FBGPOVPCQWBQGA-UHFFFAOYSA-N	-1	0	297.698	0.844	20	30		CCEDRM
Cc1cc(C(=O)/C=C/c2cn(CC(=O)[O-])nn2)no1	ZINC000791433948	581221876	/nfs/dbraw/zinc/22/18/76/581221876.db2.gz	VESOXEYBPZNWRY-NSCUHMNNSA-N	-1	0	262.225	0.555	20	30		CCEDRM
C=CCNC(=O)C(C#N)=C([O-])c1cncc(OC)n1	ZINC000791770279	581233298	/nfs/dbraw/zinc/23/32/98/581233298.db2.gz	BHDMPDFDJBEYEW-MRVPVSSYSA-N	-1	0	260.253	0.110	20	30		CCEDRM
COCCN(CC(=O)N[C@]1(C#N)CCSC1)C(=O)[O-]	ZINC000739820303	581240440	/nfs/dbraw/zinc/24/04/40/581240440.db2.gz	XSHDGDRQQVNURJ-NSHDSACASA-N	-1	0	287.341	0.128	20	30		CCEDRM
COCCN(CCC#N)C(=O)[C@@H]1CCCN(C(=O)[O-])C1	ZINC000738064006	581281130	/nfs/dbraw/zinc/28/11/30/581281130.db2.gz	FHLJPKHXHAKCMJ-LLVKDONJSA-N	-1	0	283.328	0.765	20	30		CCEDRM
CC[C@H](NN=Cc1c(O)cc(O)c(C)c1O)C(=O)[O-]	ZINC000793077149	581283555	/nfs/dbraw/zinc/28/35/55/581283555.db2.gz	ANNZJARANPXQIL-QMMMGPOBSA-N	-1	0	268.269	0.899	20	30		CCEDRM
CC[C@@H](NN=C(C)c1cccc(S(N)(=O)=O)c1)C(=O)[O-]	ZINC000793073997	581283575	/nfs/dbraw/zinc/28/35/75/581283575.db2.gz	ZBVFBZKFJPGDCS-LLVKDONJSA-N	-1	0	299.352	0.511	20	30		CCEDRM
C[C@@H]1COCC[C@@H]1C(=O)[N-]S(=O)(=O)CC1(C#N)CC1	ZINC000793195597	581287794	/nfs/dbraw/zinc/28/77/94/581287794.db2.gz	MTPVQYYMXOUDKZ-ZJUUUORDSA-N	-1	0	286.353	0.409	20	30		CCEDRM
CC[C@H]1CC[C@@H](C(=O)[N-]S(=O)(=O)CC2(C#N)CC2)O1	ZINC000793194428	581287912	/nfs/dbraw/zinc/28/79/12/581287912.db2.gz	KOEAIWYKBSBHEA-UWVGGRQHSA-N	-1	0	286.353	0.694	20	30		CCEDRM
C[C@H](CO)NN=Cc1cccc(OCC(=O)[O-])c1	ZINC000749815602	581305899	/nfs/dbraw/zinc/30/58/99/581305899.db2.gz	HMKWRQZRCXMLAQ-SECBINFHSA-N	-1	0	252.270	0.454	20	30		CCEDRM
N#CC1(NC(=O)CN2CCO[C@H](C(=O)[O-])C2)CCCCC1	ZINC000738421514	581315588	/nfs/dbraw/zinc/31/55/88/581315588.db2.gz	FFXPXCOHVMNCMX-NSHDSACASA-N	-1	0	295.339	0.114	20	30		CCEDRM
Cc1cc(C(=O)[N-]S(=O)(=O)CCCC#N)cc(=O)[nH]1	ZINC000782630615	581316139	/nfs/dbraw/zinc/31/61/39/581316139.db2.gz	DLVYIMXTEFDUCB-UHFFFAOYSA-N	-1	0	283.309	0.459	20	30		CCEDRM
N#Cc1ccc([C@H](C(N)=O)N2CCC[C@H](C(=O)[O-])C2)cc1	ZINC000738430720	581318865	/nfs/dbraw/zinc/31/88/65/581318865.db2.gz	NTTPEMJFYCIZTA-QWHCGFSZSA-N	-1	0	287.319	0.881	20	30		CCEDRM
N#C[C@H]1CN(C(=O)c2ccc(NC(=O)[O-])cc2O)CCO1	ZINC000740307143	581323056	/nfs/dbraw/zinc/32/30/56/581323056.db2.gz	ORQPFZXTNRZBGJ-VIFPVBQESA-N	-1	0	291.263	0.847	20	30		CCEDRM
N#CC1(C(=O)NC[C@@H]2CCCCN2C(=O)[O-])CCOCC1	ZINC000740309494	581323574	/nfs/dbraw/zinc/32/35/74/581323574.db2.gz	JUCMUZMWLPLIQN-NSHDSACASA-N	-1	0	295.339	0.955	20	30		CCEDRM
N#Cc1ccc(CNC(=O)[C@H]2C[C@@H](O)CN2C(=O)[O-])cc1	ZINC000740312983	581324198	/nfs/dbraw/zinc/32/41/98/581324198.db2.gz	MKMSPXDQQXXUEN-VXGBXAGGSA-N	-1	0	289.291	0.288	20	30		CCEDRM
N#Cc1nc(N)n(C[C@H]2CCN(C(=O)[O-])C2)c1C#N	ZINC000740325587	581326438	/nfs/dbraw/zinc/32/64/38/581326438.db2.gz	VTGUYRFUIQOMSV-ZETCQYMHSA-N	-1	0	260.257	0.209	20	30		CCEDRM
C#CCNC(=O)[C@H](C)N1C[C@@H](C)N(C(=O)[O-])[C@@H](C)C1	ZINC000738462264	581334585	/nfs/dbraw/zinc/33/45/85/581334585.db2.gz	XWNBKPHWVWFZLL-AXFHLTTASA-N	-1	0	267.329	0.197	20	30		CCEDRM
N#Cc1c[n-]n2c1nc(COC(=O)C1(O)CCC1)cc2=O	ZINC000783094950	581335860	/nfs/dbraw/zinc/33/58/60/581335860.db2.gz	VAFKRZMBGRJVMO-UHFFFAOYSA-N	-1	0	288.263	0.265	20	30		CCEDRM
C#Cc1cccc(NC(=O)[C@H]2C[C@@H](O)CN2C(=O)[O-])c1	ZINC000738468048	581342107	/nfs/dbraw/zinc/34/21/07/581342107.db2.gz	RMNDBOPZXMWJGC-VXGBXAGGSA-N	-1	0	274.276	0.720	20	30		CCEDRM
C=C(Br)CNC(=O)[C@H]1C[C@@H](O)CN1C(=O)[O-]	ZINC000738470692	581344333	/nfs/dbraw/zinc/34/43/33/581344333.db2.gz	LXFLBHMOHWPMQL-RNFRBKRXSA-N	-1	0	293.117	0.124	20	30		CCEDRM
C=C(Cl)CNC(=O)CN(CCOC)C(=O)[O-]	ZINC000738485874	581356301	/nfs/dbraw/zinc/35/63/01/581356301.db2.gz	VYXNXLPGLOGTFJ-UHFFFAOYSA-N	-1	0	250.682	0.482	20	30		CCEDRM
CC(C)(C#N)CC(=O)[N-]S(=O)(=O)CCCF	ZINC000786442652	581441142	/nfs/dbraw/zinc/44/11/42/581441142.db2.gz	UMZMJQGSAAMVRA-UHFFFAOYSA-N	-1	0	250.295	0.732	20	30		CCEDRM
CO[C@@H](C)CS(=O)(=O)[N-]C(=O)CC(C)(C)C#N	ZINC000786529804	581443963	/nfs/dbraw/zinc/44/39/63/581443963.db2.gz	ORJRJXJRSWTXCQ-QMMMGPOBSA-N	-1	0	262.331	0.407	20	30		CCEDRM
COCCNC(=O)C(C#N)=C([O-])c1occ2c1CCC2	ZINC000796788623	581450635	/nfs/dbraw/zinc/45/06/35/581450635.db2.gz	KHGGRPPKLUIZMS-LLVKDONJSA-N	-1	0	276.292	0.853	20	30		CCEDRM
CC#CCS(=O)(=O)[N-]C(=O)c1ccc(C#N)o1	ZINC000797187871	581461272	/nfs/dbraw/zinc/46/12/72/581461272.db2.gz	WYWOAZLUKAQOIN-UHFFFAOYSA-N	-1	0	252.251	0.234	20	30		CCEDRM
C#CCCCCCC(=O)[N-]S(=O)(=O)[C@@H](C)C(=O)OC	ZINC000797281395	581463477	/nfs/dbraw/zinc/46/34/77/581463477.db2.gz	KKBKEXABGYLYLA-JTQLQIEISA-N	-1	0	289.353	0.578	20	30		CCEDRM
C=CCC1(C(=O)[N-]S(=O)(=O)[C@@H](C)C(=O)OC)CCC1	ZINC000797293732	581464052	/nfs/dbraw/zinc/46/40/52/581464052.db2.gz	OMGRAYIRJZHBPT-VIFPVBQESA-N	-1	0	289.353	0.740	20	30		CCEDRM
CC(C)(Oc1ccc(C#N)cc1)C(=O)[N-]OCCO	ZINC000787295847	581466066	/nfs/dbraw/zinc/46/60/66/581466066.db2.gz	ISCMSJPZPFWLGN-UHFFFAOYSA-N	-1	0	264.281	0.756	20	30		CCEDRM
Cc1cc(S(=O)(=O)[N-]c2cnnn2C)ccc1C#N	ZINC000788204764	581485464	/nfs/dbraw/zinc/48/54/64/581485464.db2.gz	BJRVFATVAPUHCU-UHFFFAOYSA-N	-1	0	277.309	0.796	20	30		CCEDRM
C[C@@H]1CN(C(=O)[O-])CCN1C(=O)c1ccc(C#N)nc1	ZINC000739156926	581513744	/nfs/dbraw/zinc/51/37/44/581513744.db2.gz	MALSJHININBQOW-SECBINFHSA-N	-1	0	274.280	0.778	20	30		CCEDRM
COCCNC(=O)C(C#N)=C([O-])c1ccn(C(C)C)n1	ZINC000733679337	581517978	/nfs/dbraw/zinc/51/79/78/581517978.db2.gz	YENZKUKCJPCZDD-SNVBAGLBSA-N	-1	0	278.312	0.549	20	30		CCEDRM
N#Cc1ccc(CC(=O)[N-]S(=O)(=O)CC2CC2)cc1	ZINC000733703181	581519957	/nfs/dbraw/zinc/51/99/57/581519957.db2.gz	GKBGEYLUNBSGOZ-UHFFFAOYSA-N	-1	0	278.333	0.957	20	30		CCEDRM
CCN(CC#N)C(=O)C(C)(C)N1CCN(C(=O)[O-])CC1	ZINC000739384912	581543765	/nfs/dbraw/zinc/54/37/65/581543765.db2.gz	MOGAJWXDNDSRBO-UHFFFAOYSA-N	-1	0	282.344	0.433	20	30		CCEDRM
COCCNC(=O)C(C#N)=C([O-])c1ccc(C)cn1	ZINC000753534806	581546374	/nfs/dbraw/zinc/54/63/74/581546374.db2.gz	WTVYHHCBDRUADE-SNVBAGLBSA-N	-1	0	261.281	0.475	20	30		CCEDRM
CCN(CC(=O)Nc1nc2n(c1C#N)CCS2)C(=O)[O-]	ZINC000739404660	581547846	/nfs/dbraw/zinc/54/78/46/581547846.db2.gz	XERLUJXSHZFXCT-UHFFFAOYSA-N	-1	0	295.324	0.799	20	30		CCEDRM
N#CC1(CS(=O)(=O)[N-]C(=O)C[C@H]2CCOC2)CCC1	ZINC000754018983	581570781	/nfs/dbraw/zinc/57/07/81/581570781.db2.gz	WTUVVSHBMPBXJK-SNVBAGLBSA-N	-1	0	286.353	0.553	20	30		CCEDRM
C[C@@H](C#N)CN(C)C(=O)CN(C[C@H]1CCCO1)C(=O)[O-]	ZINC000738595905	581575895	/nfs/dbraw/zinc/57/58/95/581575895.db2.gz	BZOSSWHJQNKNFM-WDEREUQCSA-N	-1	0	283.328	0.763	20	30		CCEDRM
CN(C)C(=S)NN=C1CCC(NC(=O)[O-])CC1	ZINC000739603358	581578983	/nfs/dbraw/zinc/57/89/83/581578983.db2.gz	UTUVYTMRCUVUBR-UHFFFAOYSA-N	-1	0	258.347	0.989	20	30		CCEDRM
CN(CC#N)C(=O)C1=NN(c2ccccc2)[C@H](C(=O)[O-])C1	ZINC000739618330	581581842	/nfs/dbraw/zinc/58/18/42/581581842.db2.gz	ZVWXTZOHGPCSBQ-LBPRGKRZSA-N	-1	0	286.291	0.688	20	30		CCEDRM
CC(C)(C)[C@H](C#N)NC(=O)Cn1[n-]cc2c(=O)ncnc1-2	ZINC000754393307	581589637	/nfs/dbraw/zinc/58/96/37/581589637.db2.gz	YYHLIURTBQZJJI-VIFPVBQESA-N	-1	0	288.311	0.126	20	30		CCEDRM
CN(CCCNC(=O)C1(C#N)CCOCC1)C(=O)[O-]	ZINC000739670829	581590491	/nfs/dbraw/zinc/59/04/91/581590491.db2.gz	UGTGUNNBQQPPMG-UHFFFAOYSA-N	-1	0	269.301	0.423	20	30		CCEDRM
C#CCCS(=O)(=O)[N-]C(=O)c1cnc(C)s1	ZINC000788066839	581612618	/nfs/dbraw/zinc/61/26/18/581612618.db2.gz	AOTYNVJSKJOZRI-UHFFFAOYSA-N	-1	0	258.324	0.534	20	30		CCEDRM
COCCCNC(=O)C(C#N)=C([O-])c1ncoc1C	ZINC000729888196	581618417	/nfs/dbraw/zinc/61/84/17/581618417.db2.gz	FJLHXJQNAKFHOY-VIFPVBQESA-N	-1	0	265.269	0.458	20	30		CCEDRM
C[C@@]1(C(=O)[N-]S(=O)(=O)c2ccc(C#N)cc2)CCOC1	ZINC000755583595	581646708	/nfs/dbraw/zinc/64/67/08/581646708.db2.gz	UYMDENIGYWJQJM-CYBMUJFWSA-N	-1	0	294.332	0.790	20	30		CCEDRM
CCOCCCNC(=O)C(C#N)=C([O-])c1ocnc1C	ZINC000755599200	581648458	/nfs/dbraw/zinc/64/84/58/581648458.db2.gz	NIYQIMZTVJRUMX-SNVBAGLBSA-N	-1	0	279.296	0.848	20	30		CCEDRM
Cc1nn(CCC#N)c(C)c1CCC(=O)NCCC(=O)[O-]	ZINC000740251858	581652166	/nfs/dbraw/zinc/65/21/66/581652166.db2.gz	INXXRJPHFWQRQM-UHFFFAOYSA-N	-1	0	292.339	0.937	20	30		CCEDRM
N#C[C@H]1CN(C(=O)NCC2CCN(C(=O)[O-])CC2)CCO1	ZINC000740306628	581663072	/nfs/dbraw/zinc/66/30/72/581663072.db2.gz	HKXBUTIAGKRGKG-NSHDSACASA-N	-1	0	296.327	0.310	20	30		CCEDRM
N#C[C@H]1CN(C(=O)[C@H]2CCCN2C(=O)[O-])CCN1C1CC1	ZINC000740309118	581663405	/nfs/dbraw/zinc/66/34/05/581663405.db2.gz	DMFYEUCSAICEPE-NWDGAFQWSA-N	-1	0	292.339	0.328	20	30		CCEDRM
N#C[C@H]1COCCN1C(=O)CC1CCN(C(=O)[O-])CC1	ZINC000740308181	581663501	/nfs/dbraw/zinc/66/35/01/581663501.db2.gz	XCSAJNDFAHWYEM-NSHDSACASA-N	-1	0	281.312	0.517	20	30		CCEDRM
N#Cc1ccc(S(=O)(=O)NCCNC(=O)[O-])c(F)c1	ZINC000740321911	581665170	/nfs/dbraw/zinc/66/51/70/581665170.db2.gz	WCEQPQVYBQZRPZ-UHFFFAOYSA-N	-1	0	287.272	0.243	20	30		CCEDRM
C#CCNC(=O)[C@H](C)OC(=O)CCCN(C)C(=O)[O-]	ZINC000736079777	581687008	/nfs/dbraw/zinc/68/70/08/581687008.db2.gz	NNOKWOOAIAOFBL-VIFPVBQESA-N	-1	0	270.285	0.058	20	30		CCEDRM
CC(C)[C@@](C)(C#N)NC(=O)[C@@H](C)N1CC[C@H](NC(=O)[O-])C1	ZINC000738620683	581701185	/nfs/dbraw/zinc/70/11/85/581701185.db2.gz	WFGPWWRGCPJSMF-UHIISALHSA-N	-1	0	296.371	0.771	20	30		CCEDRM
C[C@H](Oc1ccccc1-c1nn[nH]n1)C(=O)N(C)CC#N	ZINC000736178532	581712981	/nfs/dbraw/zinc/71/29/81/581712981.db2.gz	ADCZXKWCCCKNKS-VIFPVBQESA-N	-1	0	286.295	0.616	20	30		CCEDRM
C[C@@H](Oc1ccccc1-c1nn[nH]n1)C(=O)N(C)CC#N	ZINC000736178530	581713310	/nfs/dbraw/zinc/71/33/10/581713310.db2.gz	ADCZXKWCCCKNKS-SECBINFHSA-N	-1	0	286.295	0.616	20	30		CCEDRM
CC(=NN[C@@H](C)CO)c1cc([N+](=O)[O-])ccc1[O-]	ZINC000758117045	581722471	/nfs/dbraw/zinc/72/24/71/581722471.db2.gz	IQAIVRDKSNGFPF-ZETCQYMHSA-N	-1	0	253.258	0.995	20	30		CCEDRM
C=CCCCCNC(=O)Cn1[n-]cc2c(=O)ncnc1-2	ZINC000770081268	581728995	/nfs/dbraw/zinc/72/89/95/581728995.db2.gz	GNTHXXDQSSGPCH-UHFFFAOYSA-N	-1	0	275.312	0.544	20	30		CCEDRM
CNC(=O)C(C#N)=C([O-])c1ccc(N2CCOCC2)cc1	ZINC000770105895	581729892	/nfs/dbraw/zinc/72/98/92/581729892.db2.gz	KGBGIQZLFTUPGN-CYBMUJFWSA-N	-1	0	287.319	0.592	20	30		CCEDRM
CC(C)[C@H](C#N)N1CCN(C(=O)CCNC(=O)[O-])CC1	ZINC000736346920	581745683	/nfs/dbraw/zinc/74/56/83/581745683.db2.gz	CPIJGYVQGAIYTF-NSHDSACASA-N	-1	0	282.344	0.336	20	30		CCEDRM
N#Cc1csc(C(=O)[N-]S(=O)(=O)c2cnccn2)c1	ZINC000758586970	581757380	/nfs/dbraw/zinc/75/73/80/581757380.db2.gz	VHZRLIUWPSQXAA-UHFFFAOYSA-N	-1	0	294.317	0.528	20	30		CCEDRM
CC[C@@H](OC)C(=O)[N-]S(=O)(=O)CC1(C#N)CCC1	ZINC000771074253	581789091	/nfs/dbraw/zinc/78/90/91/581789091.db2.gz	BOYHEFFBROQDTQ-SECBINFHSA-N	-1	0	274.342	0.551	20	30		CCEDRM
CC1(C(=O)[N-]S(=O)(=O)CC2(C#N)CCC2)COC1	ZINC000771072121	581789179	/nfs/dbraw/zinc/78/91/79/581789179.db2.gz	STAPNUMCHWGWFM-UHFFFAOYSA-N	-1	0	272.326	0.163	20	30		CCEDRM
CO[C@H](C)CC(=O)[N-]S(=O)(=O)CC1(C#N)CCC1	ZINC000771079455	581790387	/nfs/dbraw/zinc/79/03/87/581790387.db2.gz	LUSDDPDNLZRFTB-SECBINFHSA-N	-1	0	274.342	0.551	20	30		CCEDRM
C[C@@H](CN(C1CC1)S(=O)(=O)N(C)CCC#N)C(=O)[O-]	ZINC000736576520	581796481	/nfs/dbraw/zinc/79/64/81/581796481.db2.gz	APJFNQCAJVNAEF-VIFPVBQESA-N	-1	0	289.357	0.262	20	30		CCEDRM
CCOCC(C)N=Nc1oc(C)nc1-c1nnn[n-]1	ZINC000736609180	581805607	/nfs/dbraw/zinc/80/56/07/581805607.db2.gz	OUFWQXPNDLXAAZ-UHFFFAOYSA-N	-1	0	265.277	0.987	20	30		CCEDRM
N#Cc1ccc([O-])c(NC(=O)CC[C@@H]2NC(=O)NC2=O)c1	ZINC000759717648	581817071	/nfs/dbraw/zinc/81/70/71/581817071.db2.gz	KIYQDXLKWZBVGV-QMMMGPOBSA-N	-1	0	288.263	0.191	20	30		CCEDRM
CCS(=O)(=O)[N-]C(=O)COc1ccccc1C#N	ZINC000732604367	581835643	/nfs/dbraw/zinc/83/56/43/581835643.db2.gz	IGQIXGJKBDIHAD-UHFFFAOYSA-N	-1	0	268.294	0.403	20	30		CCEDRM
CCN(C)S(=O)(=O)[N-]C(=O)c1ccc(C=NOC)cc1	ZINC000744239749	581835834	/nfs/dbraw/zinc/83/58/34/581835834.db2.gz	HXLPNMPZMPGVJJ-UHFFFAOYSA-N	-1	0	299.352	0.593	20	30		CCEDRM
C=CCS(=O)(=O)[N-]C(=O)c1cnc2nccnc2c1	ZINC000760250534	581851184	/nfs/dbraw/zinc/85/11/84/581851184.db2.gz	FSWUEBOZGBYMMI-UHFFFAOYSA-N	-1	0	278.293	0.270	20	30		CCEDRM
COCCOc1ncccc1C(=O)N(CC#N)CC(=O)[O-]	ZINC000737825983	581868766	/nfs/dbraw/zinc/86/87/66/581868766.db2.gz	OXDBROONOAOLHN-UHFFFAOYSA-N	-1	0	293.279	0.157	20	30		CCEDRM
COCCNC(=O)C(C#N)=C([O-])c1ccc2nccnc2c1	ZINC000761097957	581887934	/nfs/dbraw/zinc/88/79/34/581887934.db2.gz	DGOIJKDERGBTQE-NSHDSACASA-N	-1	0	298.302	0.715	20	30		CCEDRM
CNC(=S)NN=Cc1cccc(OCC(=O)[O-])c1	ZINC000733201719	581890035	/nfs/dbraw/zinc/89/00/35/581890035.db2.gz	XQNGPJGCZVMOTE-UHFFFAOYSA-N	-1	0	267.310	0.578	20	30		CCEDRM
CCc1noc2ncc(C(=O)N(CC#N)CC(=O)[O-])cc12	ZINC000737291350	581941559	/nfs/dbraw/zinc/94/15/59/581941559.db2.gz	CSKHYIWBLLYJNS-UHFFFAOYSA-N	-1	0	288.263	0.836	20	30		CCEDRM
C#CCCCCC(=O)[N-]S(=O)(=O)CCCC(=O)OC	ZINC000773782840	581941834	/nfs/dbraw/zinc/94/18/34/581941834.db2.gz	YFHVCONLYSBSRA-UHFFFAOYSA-N	-1	0	289.353	0.579	20	30		CCEDRM
COCCNC(=O)C(C#N)=C([O-])c1ccc2c(c1)COC2	ZINC000747560911	581945378	/nfs/dbraw/zinc/94/53/78/581945378.db2.gz	JCFGEVKROYLQSQ-CYBMUJFWSA-N	-1	0	288.303	0.802	20	30		CCEDRM
CCOc1nc(C([O-])=C(C#N)C(=O)NCCCOC)co1	ZINC000773968819	581950116	/nfs/dbraw/zinc/95/01/16/581950116.db2.gz	QAKTWAJEVMOSTM-VIFPVBQESA-N	-1	0	295.295	0.548	20	30		CCEDRM
COCCNC(=O)C(C#N)=C([O-])c1ccnc(N(C)C)c1	ZINC000773977881	581950702	/nfs/dbraw/zinc/95/07/02/581950702.db2.gz	ZUYBKHUTHYDDEK-LLVKDONJSA-N	-1	0	290.323	0.233	20	30		CCEDRM
C#Cc1ccc(C(=O)N2CCC[C@H](NC(=O)[O-])C2)cn1	ZINC000737496246	581965207	/nfs/dbraw/zinc/96/52/07/581965207.db2.gz	SDGJFEIMIVFKDX-LBPRGKRZSA-N	-1	0	273.292	0.935	20	30		CCEDRM
C#CCSCCNC(=O)C1CCN(C(=O)[O-])CC1	ZINC000737495535	581965330	/nfs/dbraw/zinc/96/53/30/581965330.db2.gz	GPDMXBXGWQDYSU-UHFFFAOYSA-N	-1	0	270.354	0.859	20	30		CCEDRM
N#Cc1ccccc1OCC(=O)[N-]S(=O)(=O)C1CCC1	ZINC000774298290	581969522	/nfs/dbraw/zinc/96/95/22/581969522.db2.gz	ICHADIVKSJCMCK-UHFFFAOYSA-N	-1	0	294.332	0.936	20	30		CCEDRM
C=CCN(CC(=O)[O-])C(=O)c1ccnc(N2CCCC2)n1	ZINC000737527348	581973040	/nfs/dbraw/zinc/97/30/40/581973040.db2.gz	NXOVTGFFZLHKSV-UHFFFAOYSA-N	-1	0	290.323	0.790	20	30		CCEDRM
C=CCN(CC(=O)[O-])C(=O)[C@@H]1CSCN1C(=O)CC	ZINC000737527261	581973248	/nfs/dbraw/zinc/97/32/48/581973248.db2.gz	ICCXXVAWARBBBF-VIFPVBQESA-N	-1	0	286.353	0.397	20	30		CCEDRM
COC(=O)[C@@H](CC(=O)[O-])NC(=O)c1sccc1C#N	ZINC000737578335	581982520	/nfs/dbraw/zinc/98/25/20/581982520.db2.gz	YOZDLQADJCYEFN-SSDOTTSWSA-N	-1	0	282.277	0.366	20	30		CCEDRM
C=CCNc1nc(C(=O)OCc2n[nH]c(=O)[n-]2)cs1	ZINC000774900194	582001296	/nfs/dbraw/zinc/00/12/96/582001296.db2.gz	LLQNRGZPLVAJPQ-UHFFFAOYSA-N	-1	0	281.297	0.922	20	30		CCEDRM
C[C@H](Oc1ccc(C#N)cc1)C(=O)OCc1n[nH]c(=O)[n-]1	ZINC000774902674	582001806	/nfs/dbraw/zinc/00/18/06/582001806.db2.gz	WCPLXDIWVMAPAN-QMMMGPOBSA-N	-1	0	288.263	0.893	20	30		CCEDRM
Cc1cn2ccnc(C([O-])=C(C#N)C(=O)N3CCCC3)c2n1	ZINC000763929658	582021135	/nfs/dbraw/zinc/02/11/35/582021135.db2.gz	JMWKSUCIECONNT-NSHDSACASA-N	-1	0	297.318	0.983	20	30		CCEDRM
CNC(=O)C(C#N)=C([O-])c1nccn2cc(C)nc12	ZINC000763944058	582021597	/nfs/dbraw/zinc/02/15/97/582021597.db2.gz	MJJWAPRWWBDAJU-QMMMGPOBSA-N	-1	0	257.253	0.106	20	30		CCEDRM
Cc1cc(C)nc(SCC(=O)N(CC#N)CC(=O)[O-])n1	ZINC000738378452	582041100	/nfs/dbraw/zinc/04/11/00/582041100.db2.gz	GIMCCHNCPIXCIH-UHFFFAOYSA-N	-1	0	294.336	0.622	20	30		CCEDRM
N#CCN1CCC(NC(=O)N2CCC(C(=O)[O-])CC2)CC1	ZINC000738426923	582048260	/nfs/dbraw/zinc/04/82/60/582048260.db2.gz	VDPZJCQPFOTMFU-UHFFFAOYSA-N	-1	0	294.355	0.481	20	30		CCEDRM
N#CCCCS(=O)(=O)[N-]C(=O)CC[C@@H]1CCOC1	ZINC000776123125	582052491	/nfs/dbraw/zinc/05/24/91/582052491.db2.gz	YCINSALDUABXDK-SNVBAGLBSA-N	-1	0	274.342	0.553	20	30		CCEDRM
C#Cc1cccc(NC(=O)[C@H]2COCCN2C(=O)[O-])c1	ZINC000738467188	582054478	/nfs/dbraw/zinc/05/44/78/582054478.db2.gz	KDGXXYPMHYGGJQ-GFCCVEGCSA-N	-1	0	274.276	0.985	20	30		CCEDRM
C=CCN(CC(=O)OCC)C(=O)[C@@H]1CCN(C(=O)[O-])C1	ZINC000738490357	582055273	/nfs/dbraw/zinc/05/52/73/582055273.db2.gz	RTPHKDKJERDKTI-SNVBAGLBSA-N	-1	0	284.312	0.564	20	30		CCEDRM
C=CCNC(=O)[C@@H](C)N1C[C@@H](C)N(C(=O)[O-])[C@@H](C)C1	ZINC000738494775	582056037	/nfs/dbraw/zinc/05/60/37/582056037.db2.gz	DTXNZJCFXQHCBA-OUAUKWLOSA-N	-1	0	269.345	0.750	20	30		CCEDRM
C=CCNC(=O)C[C@@]1(C(=O)NCC=C)CCN(C(=O)[O-])C1	ZINC000738495209	582056063	/nfs/dbraw/zinc/05/60/63/582056063.db2.gz	JTMAAKMOAXVEKE-AWEZNQCLSA-N	-1	0	295.339	0.351	20	30		CCEDRM
C=CCOCC(=O)N1CCC[C@H](CNC(=O)[O-])C1	ZINC000738491525	582056152	/nfs/dbraw/zinc/05/61/52/582056152.db2.gz	MQHLVAWTFCLUGT-SNVBAGLBSA-N	-1	0	256.302	0.695	20	30		CCEDRM
C=CCNC(=O)[C@H](C)N1CCCN(C(=O)[O-])CC1	ZINC000738496183	582056447	/nfs/dbraw/zinc/05/64/47/582056447.db2.gz	UCWIVYNZNOCDSV-JTQLQIEISA-N	-1	0	255.318	0.363	20	30		CCEDRM
COCCNC(=O)C(C#N)=C([O-])c1ccc2cc[nH]c2n1	ZINC000764759028	582067591	/nfs/dbraw/zinc/06/75/91/582067591.db2.gz	HUYZRPGGTASUCU-SNVBAGLBSA-N	-1	0	286.291	0.648	20	30		CCEDRM
CC(C)(CC(=O)Nc1nc(C#N)c(C#N)[n-]1)NC(=O)[O-]	ZINC000738738008	582072521	/nfs/dbraw/zinc/07/25/21/582072521.db2.gz	ITRSGBMULLVJMN-UHFFFAOYSA-N	-1	0	276.256	0.528	20	30		CCEDRM
CC(=O)c1cc(C(=O)Nc2nc(C#N)c(C#N)[n-]2)n(C)c1	ZINC000751377142	582077537	/nfs/dbraw/zinc/07/75/37/582077537.db2.gz	UCLKLSUTWMOXBT-UHFFFAOYSA-N	-1	0	282.263	0.946	20	30		CCEDRM
C[C@H](CCNS(=O)(=O)CCCCC#N)C(=O)[O-]	ZINC000776589640	582082824	/nfs/dbraw/zinc/08/28/24/582082824.db2.gz	OGRJVIYMIHUWKL-SECBINFHSA-N	-1	0	262.331	0.710	20	30		CCEDRM
C=CCC[C@@H](NS(=O)(=O)CCCC#N)C(=O)[O-]	ZINC000776597376	582083936	/nfs/dbraw/zinc/08/39/36/582083936.db2.gz	PFGDRWLOPBSLDE-SECBINFHSA-N	-1	0	260.315	0.629	20	30		CCEDRM
Cc1ncc(Cl)c(C(=O)N(CC#N)CC(=O)[O-])n1	ZINC000738884808	582085558	/nfs/dbraw/zinc/08/55/58/582085558.db2.gz	DIGLPLQQQVVIMT-UHFFFAOYSA-N	-1	0	268.660	0.489	20	30		CCEDRM
C[C@H](CCNC(=O)C1(C#N)CCOCC1)NC(=O)[O-]	ZINC000738900740	582087076	/nfs/dbraw/zinc/08/70/76/582087076.db2.gz	RSSCWXUNWFFLSI-SECBINFHSA-N	-1	0	269.301	0.469	20	30		CCEDRM
C[C@@H](CCNS(=O)(=O)CCCCC#N)NC(=O)[O-]	ZINC000738906729	582087659	/nfs/dbraw/zinc/08/76/59/582087659.db2.gz	PUWXTDDYGHXUBF-VIFPVBQESA-N	-1	0	277.346	0.646	20	30		CCEDRM
C#Cc1ccc(C(=O)N2CCC[C@@H](c3nnn[n-]3)C2)nc1	ZINC000765109455	582089628	/nfs/dbraw/zinc/08/96/28/582089628.db2.gz	LKBBDUMRKPPBHO-LLVKDONJSA-N	-1	0	282.307	0.596	20	30		CCEDRM
C[C@@H](CNC(=O)[O-])N(C)CC(=O)N[C@](C)(C#N)C1CC1	ZINC000738941784	582092218	/nfs/dbraw/zinc/09/22/18/582092218.db2.gz	UTTOJIYYQQNPFF-TVQRCGJNSA-N	-1	0	282.344	0.383	20	30		CCEDRM
Cn1nnnc1S[C@@H](C(=O)[O-])c1ccc(C#N)cc1	ZINC000739061788	582099848	/nfs/dbraw/zinc/09/98/48/582099848.db2.gz	AOHAZQUQNGOISM-SECBINFHSA-N	-1	0	275.293	1.000	20	30		CCEDRM
N#C[C@@H](C(=O)CCSCC(=O)[O-])C(=O)NC1CCCC1	ZINC000739074704	582101260	/nfs/dbraw/zinc/10/12/60/582101260.db2.gz	LLJZDYSDHFULPT-JTQLQIEISA-N	-1	0	298.364	0.962	20	30		CCEDRM
N#C[C@H](C(=O)CCSCC(=O)[O-])C(=O)NC1CC1	ZINC000739074997	582101266	/nfs/dbraw/zinc/10/12/66/582101266.db2.gz	PDZQWYHGRIDPJC-MRVPVSSYSA-N	-1	0	270.310	0.182	20	30		CCEDRM
N#CCN(CC(=O)[O-])C(=O)C(=O)c1ccc(Cl)cc1	ZINC000739075941	582101321	/nfs/dbraw/zinc/10/13/21/582101321.db2.gz	PVAJQUPJFPRUHT-UHFFFAOYSA-N	-1	0	280.667	0.959	20	30		CCEDRM
N#CCN(CC(=O)[O-])C(=O)[C@H]1COc2ccccc2C1	ZINC000739077055	582101399	/nfs/dbraw/zinc/10/13/99/582101399.db2.gz	GSPWGCKWGNVKBN-LLVKDONJSA-N	-1	0	274.276	0.674	20	30		CCEDRM
N#CCN(CC(=O)[O-])C(=O)CCOc1ccc(C=O)cc1	ZINC000739076638	582101430	/nfs/dbraw/zinc/10/14/30/582101430.db2.gz	BFNWDXSLRDBXEM-UHFFFAOYSA-N	-1	0	290.275	0.705	20	30		CCEDRM
N#CCN(CC(=O)[O-])C(=O)CSC[C@@H]1CCCCO1	ZINC000739078537	582101610	/nfs/dbraw/zinc/10/16/10/582101610.db2.gz	JBJQIZCZBOVOAS-JTQLQIEISA-N	-1	0	286.353	0.725	20	30		CCEDRM
N#CCN1CCC(NC(=O)N2CC[C@H](C(=O)[O-])C2)CC1	ZINC000739086456	582101780	/nfs/dbraw/zinc/10/17/80/582101780.db2.gz	RAMKGCHZYVVNCL-JTQLQIEISA-N	-1	0	280.328	0.090	20	30		CCEDRM
N#CCNC(=O)CN(CC(=O)[O-])Cc1ccc(F)c(F)c1	ZINC000739084975	582101834	/nfs/dbraw/zinc/10/18/34/582101834.db2.gz	AOOLXKXMBLCHCQ-UHFFFAOYSA-N	-1	0	297.261	0.491	20	30		CCEDRM
N#CCN(CC(=O)[O-])C(=O)c1ccc(N)c([N+](=O)[O-])c1	ZINC000739085585	582101886	/nfs/dbraw/zinc/10/18/86/582101886.db2.gz	BUCCEJNJYUQFDF-UHFFFAOYSA-N	-1	0	278.224	0.227	20	30		CCEDRM
COCCNC(=O)C(C#N)=C([O-])c1cccc(OC)n1	ZINC000752160107	582101935	/nfs/dbraw/zinc/10/19/35/582101935.db2.gz	HEMPYKGBMVCQCZ-VIFPVBQESA-N	-1	0	277.280	0.175	20	30		CCEDRM
N#CCN(CC(=O)[O-])C(=O)c1cnn(-c2ccccc2)n1	ZINC000739088278	582102113	/nfs/dbraw/zinc/10/21/13/582102113.db2.gz	UBNJVYWARJBNSI-UHFFFAOYSA-N	-1	0	285.263	0.318	20	30		CCEDRM
N#CCNC(=O)COC(=O)c1ccccc1C(=O)[O-]	ZINC000739088932	582102152	/nfs/dbraw/zinc/10/21/52/582102152.db2.gz	XENALEPTKDHFAS-UHFFFAOYSA-N	-1	0	262.221	0.181	20	30		CCEDRM
N#CCSCC(=O)N[C@@H]1CCCN(C(=O)[O-])C1	ZINC000739092107	582102164	/nfs/dbraw/zinc/10/21/64/582102164.db2.gz	PFHTZUAZXJSHJS-MRVPVSSYSA-N	-1	0	257.315	0.502	20	30		CCEDRM
N#Cc1ccc([C@H](OC(=O)[C@H]2C[C@H]2C(=O)[O-])C(N)=O)cc1	ZINC000739110608	582103052	/nfs/dbraw/zinc/10/30/52/582103052.db2.gz	RPXMZJYYJADNBD-VWYCJHECSA-N	-1	0	288.259	0.349	20	30		CCEDRM
C=C(C)CS(=O)(=O)N[C@@H](COCC(C)C)C(=O)[O-]	ZINC000906003258	613354245	/nfs/dbraw/zinc/35/42/45/613354245.db2.gz	BLXUPKFQUXTJKU-JTQLQIEISA-N	-1	0	279.358	0.608	20	30		CCEDRM
C=C(C)[C@@H]1OCC[C@@H]1C(=O)NCCSCC(=O)[O-]	ZINC000909226731	613361380	/nfs/dbraw/zinc/36/13/80/613361380.db2.gz	HSTODXJZMVLHFF-ONGXEEELSA-N	-1	0	273.354	0.902	20	30		CCEDRM
Cc1cc(C(=O)[O-])cc(S(=O)(=O)NCC#N)c1C	ZINC000013252293	602153014	/nfs/dbraw/zinc/15/30/14/602153014.db2.gz	VAJHCYQDSFJJNS-UHFFFAOYSA-N	-1	0	268.294	0.804	20	30		CCEDRM
CC[S@](C)(=O)=NS(=O)(=O)[N-]C[C@@H](C)C#N	ZINC000866895741	616021428	/nfs/dbraw/zinc/02/14/28/616021428.db2.gz	YHGJLFBTUKKXJO-WJWGPLDTSA-N	-1	0	253.349	0.098	20	30		CCEDRM
N#Cc1cc([N+](=O)[O-])cnc1N1CC[C@@H](C(=O)[O-])C1	ZINC000062132932	596901307	/nfs/dbraw/zinc/90/13/07/596901307.db2.gz	XNRGPPJKJHHWBS-SSDOTTSWSA-N	-1	0	262.225	0.772	20	30		CCEDRM
Cc1cc(NC(=O)[C@@](C)(C#N)CC(=O)[O-])cn(C)c1=O	ZINC000821008287	597603180	/nfs/dbraw/zinc/60/31/80/597603180.db2.gz	AKCZXHMQDVDIHA-CYBMUJFWSA-N	-1	0	277.280	0.637	20	30		CCEDRM
C[C@@](C#N)(CC(=O)[O-])C(=O)OC[C@H]1COC(=O)O1	ZINC000819865493	597615480	/nfs/dbraw/zinc/61/54/80/597615480.db2.gz	LTDKLQGTPSMWFL-WKEGUHRASA-N	-1	0	257.198	0.070	20	30		CCEDRM
C[C@](C#N)(CC(=O)[O-])C(=O)OCc1noc(C2CC2)n1	ZINC000819875618	597617317	/nfs/dbraw/zinc/61/73/17/597617317.db2.gz	ZSJARJOZGJCQOS-GFCCVEGCSA-N	-1	0	279.252	0.995	20	30		CCEDRM
C[C@@H](OC(=O)[C@](C)(C#N)CC(=O)[O-])C(=O)NC1CCCC1	ZINC000820162049	597619918	/nfs/dbraw/zinc/61/99/18/597619918.db2.gz	XLUHFBDWKPDKMG-OTYXRUKQSA-N	-1	0	296.323	0.981	20	30		CCEDRM
C[C@](C#N)(CC(=O)[O-])C(=O)OCC(=O)c1ccc[nH]1	ZINC000819866682	597621171	/nfs/dbraw/zinc/62/11/71/597621171.db2.gz	ZGLCAXFAYJNQFT-GFCCVEGCSA-N	-1	0	264.237	0.745	20	30		CCEDRM
C[C@](C#N)(CC(=O)[O-])C(=O)N1CCC[C@@H](CO)C1	ZINC000819811231	597632770	/nfs/dbraw/zinc/63/27/70/597632770.db2.gz	MIEYPLMIKMPDRD-BXKDBHETSA-N	-1	0	254.286	0.222	20	30		CCEDRM
C[C@](C#N)(CC(=O)[O-])C(=O)N1CCC(C2OCCO2)CC1	ZINC000819811860	597640939	/nfs/dbraw/zinc/64/09/39/597640939.db2.gz	WAEZGRRTIGZTHL-CQSZACIVSA-N	-1	0	296.323	0.602	20	30		CCEDRM
C[C@@](C#N)(CC(=O)[O-])C(=O)N1CC(Oc2ccncc2)C1	ZINC000819810965	597642636	/nfs/dbraw/zinc/64/26/36/597642636.db2.gz	JDMDQIJDVXGUPJ-AWEZNQCLSA-N	-1	0	289.291	0.676	20	30		CCEDRM
C[C@@](C#N)(CC(=O)[O-])C(=O)NCC1(O)CCCC1	ZINC000819832485	597649518	/nfs/dbraw/zinc/64/95/18/597649518.db2.gz	BOONAYMRLDPCQD-NSHDSACASA-N	-1	0	254.286	0.412	20	30		CCEDRM
C[C@@](C#N)(CC(=O)[O-])C(=O)NC[C@@H](O)C(F)(F)F	ZINC000819834975	597652708	/nfs/dbraw/zinc/65/27/08/597652708.db2.gz	RJHLMFADUSMOCM-XRGYYRRGSA-N	-1	0	268.191	0.030	20	30		CCEDRM
N#C[C@H]1CSCCN1C(=O)CSCC(=O)[O-]	ZINC000821320518	598181015	/nfs/dbraw/zinc/18/10/15/598181015.db2.gz	QQNOKIMVFPBBMV-ZETCQYMHSA-N	-1	0	260.340	0.272	20	30		CCEDRM
C[C@](C#N)(CC(=O)[O-])C(=O)NC1CCC2(CC1)OCCO2	ZINC000819822526	598224250	/nfs/dbraw/zinc/22/42/50/598224250.db2.gz	OUGRSYPZTVYKQE-CYBMUJFWSA-N	-1	0	296.323	0.793	20	30		CCEDRM
C[C@](C#N)(CC(=O)[O-])C(=O)N1CCN2CCCC[C@H]2C1	ZINC000819821027	598225516	/nfs/dbraw/zinc/22/55/16/598225516.db2.gz	CBKUHCVQOPLGON-SMDDNHRTSA-N	-1	0	279.340	0.688	20	30		CCEDRM
Cc1cc(=O)n(C)cc1NC(=O)[C@@](C)(C#N)CC(=O)[O-]	ZINC000820949239	598229308	/nfs/dbraw/zinc/22/93/08/598229308.db2.gz	IFQREGQKLKAPKC-CYBMUJFWSA-N	-1	0	277.280	0.637	20	30		CCEDRM
C#CCO[C@@H](C)C(=O)[N-]S(=O)(=O)C1CCCCC1	ZINC000835114155	612996722	/nfs/dbraw/zinc/99/67/22/612996722.db2.gz	XVNWFWSCBBMHDB-JTQLQIEISA-N	-1	0	273.354	0.803	20	30		CCEDRM
C#CCO[C@H](C)C(=O)NC1(c2nnn[n-]2)CCCC1	ZINC000826047094	613001179	/nfs/dbraw/zinc/00/11/79/613001179.db2.gz	HBYORSSHUNOJAT-SECBINFHSA-N	-1	0	263.301	0.124	20	30		CCEDRM
O=C([O-])c1ccc(O)c(C=NN2CCOCC2)c1	ZINC000740154511	599906010	/nfs/dbraw/zinc/90/60/10/599906010.db2.gz	FDAUQGOOLLXPRK-UHFFFAOYSA-N	-1	0	250.254	0.757	20	30		CCEDRM
N#Cc1ccc(CN2CCNC(=O)[C@H]2CC(=O)[O-])cc1	ZINC000071245698	599980906	/nfs/dbraw/zinc/98/09/06/599980906.db2.gz	XJMOBCJRIMVFDU-GFCCVEGCSA-N	-1	0	273.292	0.333	20	30		CCEDRM
N#C[C@@H]1CN(C(=O)NCCCCCCC(=O)[O-])CCO1	ZINC000093937031	599996972	/nfs/dbraw/zinc/99/69/72/599996972.db2.gz	JMCVVKYDWHUGLP-LLVKDONJSA-N	-1	0	283.328	0.955	20	30		CCEDRM
C=C(Cl)CNC(=O)NCCSCC(=O)[O-]	ZINC000389476468	600243541	/nfs/dbraw/zinc/24/35/41/600243541.db2.gz	ORDMCPFXZFITMH-UHFFFAOYSA-N	-1	0	252.723	0.856	20	30		CCEDRM
COCCN(CC(=O)[O-])CC(=O)Nc1cccc(C#N)c1	ZINC000049607502	600395134	/nfs/dbraw/zinc/39/51/34/600395134.db2.gz	ZCDCLCHULLUVFI-UHFFFAOYSA-N	-1	0	291.307	0.530	20	30		CCEDRM
C#CCCNS(=O)(=O)c1cccc(C(=O)[O-])c1	ZINC000070246336	600652164	/nfs/dbraw/zinc/65/21/64/600652164.db2.gz	BGESPVGTZUVEQV-UHFFFAOYSA-N	-1	0	253.279	0.686	20	30		CCEDRM
N#CCN(CC#N)S(=O)(=O)c1csc(C(=O)[O-])c1	ZINC000113250226	600731631	/nfs/dbraw/zinc/73/16/31/600731631.db2.gz	PYVRLDHEVQIHRF-UHFFFAOYSA-N	-1	0	285.306	0.484	20	30		CCEDRM
C#CCCCNc1cc(C)nc2nc(C(=O)[O-])nn21	ZINC000825605496	600822664	/nfs/dbraw/zinc/82/26/64/600822664.db2.gz	HKHQSNYUACDUIN-UHFFFAOYSA-N	-1	0	259.269	0.956	20	30		CCEDRM
N#CCN1CCN(C(=O)[C@H]2CCC[C@H](C(=O)[O-])C2)CC1	ZINC000833067530	600964502	/nfs/dbraw/zinc/96/45/02/600964502.db2.gz	WNNYEYIEZOSOON-RYUDHWBXSA-N	-1	0	279.340	0.545	20	30		CCEDRM
N#CCN(CCCOCC(F)(F)F)CC(=O)[O-]	ZINC000833067228	601003840	/nfs/dbraw/zinc/00/38/40/601003840.db2.gz	SNAKCYBSOYCUPD-UHFFFAOYSA-N	-1	0	254.208	0.866	20	30		CCEDRM
N#CCN(CC(=O)[O-])CC(=O)NCc1cc(F)cc(F)c1	ZINC000833067214	601004512	/nfs/dbraw/zinc/00/45/12/601004512.db2.gz	RBTZUDZKMHRPCW-UHFFFAOYSA-N	-1	0	297.261	0.491	20	30		CCEDRM
C[C@@H](CC#N)N(C)S(=O)(=O)CC1(CC(=O)[O-])CC1	ZINC000827218454	601131494	/nfs/dbraw/zinc/13/14/94/601131494.db2.gz	PWFZZNMTATUKCB-VIFPVBQESA-N	-1	0	274.342	0.805	20	30		CCEDRM
C#CCSCC(=O)[N-]S(=O)(=O)CCCF	ZINC000892787061	613013161	/nfs/dbraw/zinc/01/31/61/613013161.db2.gz	YTZUSOVPDXSZOO-UHFFFAOYSA-N	-1	0	253.320	0.158	20	30		CCEDRM
O=C([O-])c1cn(CC(=O)NCC#Cc2ccccc2)nn1	ZINC000833121914	601196079	/nfs/dbraw/zinc/19/60/79/601196079.db2.gz	PGAQERIWAQSYPL-UHFFFAOYSA-N	-1	0	284.275	0.144	20	30		CCEDRM
N#C[C@@H]1COCCN1C(=O)[C@H]1CCC[C@@H](C(=O)[O-])C1	ZINC000833062823	601211655	/nfs/dbraw/zinc/21/16/55/601211655.db2.gz	QITGVRSKCNYGOO-HBNTYKKESA-N	-1	0	266.297	0.628	20	30		CCEDRM
C#CCNC(=O)CNc1ccc(C(=O)OC)c(C(=O)[O-])c1	ZINC000825619344	601250761	/nfs/dbraw/zinc/25/07/61/601250761.db2.gz	LBLQQPMGRKRWOD-UHFFFAOYSA-N	-1	0	290.275	0.333	20	30		CCEDRM
N#C[C@H]1CCC[C@H]1NS(=O)(=O)CC1(CC(=O)[O-])CC1	ZINC000833063170	601520515	/nfs/dbraw/zinc/52/05/15/601520515.db2.gz	TXSZCIRKKUWDHM-NXEZZACHSA-N	-1	0	286.353	0.853	20	30		CCEDRM
N#Cc1cc(F)ccc1CN1CCOC[C@@H]1C(=O)[O-]	ZINC000088380349	601559872	/nfs/dbraw/zinc/55/98/72/601559872.db2.gz	SJNABSMEVNGKST-GFCCVEGCSA-N	-1	0	264.256	0.983	20	30		CCEDRM
N#CC1(NC(=O)CN2CCOC[C@@H]2C(=O)[O-])CCCCC1	ZINC000833063840	601561836	/nfs/dbraw/zinc/56/18/36/601561836.db2.gz	BGGYNBARLNYCSB-LLVKDONJSA-N	-1	0	295.339	0.114	20	30		CCEDRM
N#CCCN(CCC#N)CC(=O)N1CCC(C(=O)[O-])CC1	ZINC000833065694	601583804	/nfs/dbraw/zinc/58/38/04/601583804.db2.gz	KAZKZQGIXRFOLK-UHFFFAOYSA-N	-1	0	292.339	0.439	20	30		CCEDRM
NC(=O)c1ccc(NN=Cc2ccoc2C(=O)[O-])nn1	ZINC000833085758	601627276	/nfs/dbraw/zinc/62/72/76/601627276.db2.gz	AJFZNVNJICXVKQ-UHFFFAOYSA-N	-1	0	275.224	0.313	20	30		CCEDRM
C[C@H]1CN(C(=O)NC2CCN(CC#N)CC2)C[C@@H]1C(=O)[O-]	ZINC000828348176	601660784	/nfs/dbraw/zinc/66/07/84/601660784.db2.gz	IEXCIKNQQATZBS-JQWIXIFHSA-N	-1	0	294.355	0.336	20	30		CCEDRM
Cn1cc(C#N)cc1C(=O)N1CCO[C@@H](CC(=O)[O-])C1	ZINC000833040487	601670467	/nfs/dbraw/zinc/67/04/67/601670467.db2.gz	JUMSWLLWCSAEBA-JTQLQIEISA-N	-1	0	277.280	0.212	20	30		CCEDRM
CC(C)CN(CCC#N)CC(=O)NCCC(=O)[O-]	ZINC000826871184	601762520	/nfs/dbraw/zinc/76/25/20/601762520.db2.gz	OGFDXQRLFMYHAX-UHFFFAOYSA-N	-1	0	255.318	0.449	20	30		CCEDRM
C#CCCCNC(=O)N1CCO[C@@H](CC(=O)[O-])C1	ZINC000229854721	601778703	/nfs/dbraw/zinc/77/87/03/601778703.db2.gz	VMSFRAOLPBKRTA-JTQLQIEISA-N	-1	0	254.286	0.285	20	30		CCEDRM
C#CCSCCNC(=O)N1CCC[C@H]1CNC(=O)[O-]	ZINC000823467295	613016076	/nfs/dbraw/zinc/01/60/76/613016076.db2.gz	UDUYQRUJMYRJTP-JTQLQIEISA-N	-1	0	285.369	0.794	20	30		CCEDRM
C#CCCCCNS(=O)(=O)N1CCC(C(=O)[O-])CC1	ZINC000229622532	602123754	/nfs/dbraw/zinc/12/37/54/602123754.db2.gz	RNNPTKIOEGXKFX-UHFFFAOYSA-N	-1	0	288.369	0.421	20	30		CCEDRM
C[C@@H](CC(=O)[O-])C(=O)[C@H](C#N)C(=O)NC1CCCC1	ZINC000827240736	602183215	/nfs/dbraw/zinc/18/32/15/602183215.db2.gz	MWQYQVLXAIGHFA-WPRPVWTQSA-N	-1	0	266.297	0.865	20	30		CCEDRM
C#CCNC(=O)CNc1ccc(C(=O)[O-])c(F)c1	ZINC000825620070	602304435	/nfs/dbraw/zinc/30/44/35/602304435.db2.gz	UQDUPENLCCTBAI-UHFFFAOYSA-N	-1	0	250.229	0.685	20	30		CCEDRM
C#CCSCCNC(=O)[C@@H]1CC[C@@H](NC(=O)[O-])C1	ZINC000823466807	613017683	/nfs/dbraw/zinc/01/76/83/613017683.db2.gz	JBURSUSMCBSLQP-NXEZZACHSA-N	-1	0	270.354	0.905	20	30		CCEDRM
COc1cc(C=NN(C)[C@@H](C)CO)c([N+](=O)[O-])cc1O	ZINC000842542786	617179192	/nfs/dbraw/zinc/17/91/92/617179192.db2.gz	CWGHXYIXONYNCM-QMMMGPOBSA-N	-1	0	283.284	0.956	20	30		CCEDRM
N#C[C@@]1(NC(=O)CN(CC2CC2)C(=O)[O-])CCSC1	ZINC000831070750	602785211	/nfs/dbraw/zinc/78/52/11/602785211.db2.gz	RFVRPMJSXHCQCG-LBPRGKRZSA-N	-1	0	283.353	0.892	20	30		CCEDRM
N#C[C@H](NC(=O)CN(CC1CC1)C(=O)[O-])C1CC1	ZINC000831071102	602895651	/nfs/dbraw/zinc/89/56/51/602895651.db2.gz	YGTQEEZRSHXXSW-JTQLQIEISA-N	-1	0	251.286	0.795	20	30		CCEDRM
C#CCNC(=O)[C@H](C)OC(=O)[C@@H]1CCC[C@H](NC(=O)[O-])C1	ZINC000823455556	612951023	/nfs/dbraw/zinc/95/10/23/612951023.db2.gz	DWIDVQDESHFFDO-AXFHLTTASA-N	-1	0	296.323	0.494	20	30		CCEDRM
C[C@H](CCNC(=O)Nc1ccn(CCC#N)n1)NC(=O)[O-]	ZINC000824793140	603334224	/nfs/dbraw/zinc/33/42/24/603334224.db2.gz	FHQUPMGUBZTZLW-SECBINFHSA-N	-1	0	294.315	0.964	20	30		CCEDRM
C#CCNC(=O)[C@H](C)OC(=O)[C@H]1CC[C@@H](NC(=O)[O-])C1	ZINC000823455611	612951139	/nfs/dbraw/zinc/95/11/39/612951139.db2.gz	FICWTCVIYKORRC-LPEHRKFASA-N	-1	0	282.296	0.104	20	30		CCEDRM
N#Cc1ccccc1N1CCN(CCNC(=O)[O-])CC1	ZINC000831152438	603454230	/nfs/dbraw/zinc/45/42/30/603454230.db2.gz	CVXMMZILBULLLS-UHFFFAOYSA-N	-1	0	274.324	0.948	20	30		CCEDRM
C#CCNC(=O)[C@H](C)OC(=O)[C@H](NC(=O)[O-])[C@@H](C)CC	ZINC000823456864	612951208	/nfs/dbraw/zinc/95/12/08/612951208.db2.gz	RBRGGMZZMUCLLM-LPEHRKFASA-N	-1	0	284.312	0.350	20	30		CCEDRM
Cc1cc(C(=O)N2CCN(C(=O)[O-])C[C@@H]2C#N)no1	ZINC000829930595	603596624	/nfs/dbraw/zinc/59/66/24/603596624.db2.gz	YLWLZUPSHNVJAM-QMMMGPOBSA-N	-1	0	264.241	0.311	20	30		CCEDRM
N#C[C@H]1CN(C(=O)[O-])CCN1C(=O)COC1CCCC1	ZINC000831082348	603604223	/nfs/dbraw/zinc/60/42/23/603604223.db2.gz	LFBLMQSNRATURZ-JTQLQIEISA-N	-1	0	281.312	0.660	20	30		CCEDRM
C[C@@H]1CCC[C@@](C#N)(NC(=O)COC2CN(C(=O)[O-])C2)C1	ZINC000825881094	604011043	/nfs/dbraw/zinc/01/10/43/604011043.db2.gz	SOODSESEUJPLOU-QMTHXVAHSA-N	-1	0	295.339	0.954	20	30		CCEDRM
N#CCN1CCC[C@H](CNC(=O)CC2CN(C(=O)[O-])C2)C1	ZINC000831102498	604066484	/nfs/dbraw/zinc/06/64/84/604066484.db2.gz	LPLVNKAZUUBLQU-LLVKDONJSA-N	-1	0	294.355	0.338	20	30		CCEDRM
N#C[C@H]1CN(C(=O)[O-])CCN1C(=O)c1cccc2[nH]ncc21	ZINC000831092447	604068500	/nfs/dbraw/zinc/06/85/00/604068500.db2.gz	VTDDGBCFHNVLPO-VIFPVBQESA-N	-1	0	299.290	0.891	20	30		CCEDRM
C[C@@](C#N)(NC(=O)CN1CCC[C@H]1CNC(=O)[O-])C1CC1	ZINC000823648762	604068760	/nfs/dbraw/zinc/06/87/60/604068760.db2.gz	WTSVAVDRDAQBQW-FZMZJTMJSA-N	-1	0	294.355	0.527	20	30		CCEDRM
Cc1ccc(C(=O)N2CCN(C(=O)[O-])C[C@H]2C#N)n1C	ZINC000830199018	604069143	/nfs/dbraw/zinc/06/91/43/604069143.db2.gz	RXMIGNMFGCWTDA-SNVBAGLBSA-N	-1	0	276.296	0.662	20	30		CCEDRM
N#C[C@H]1CN(C(=O)[O-])CCN1C(=O)C1CCSCC1	ZINC000831075737	604071330	/nfs/dbraw/zinc/07/13/30/604071330.db2.gz	CMXCYJNKWJRDFG-JTQLQIEISA-N	-1	0	283.353	0.844	20	30		CCEDRM
N#C[C@@H]1CN(C(=O)[O-])CCN1C(=O)c1ccc2nccn2c1	ZINC000831087049	604071860	/nfs/dbraw/zinc/07/18/60/604071860.db2.gz	IVUKKMQZORYENY-LLVKDONJSA-N	-1	0	299.290	0.662	20	30		CCEDRM
N#C[C@@H]1CN(C(=O)[O-])CCN1C(=O)/C=C\c1cnccn1	ZINC000831076385	604079878	/nfs/dbraw/zinc/07/98/78/604079878.db2.gz	LMMWRQLBFPQILG-RFMOXSJOSA-N	-1	0	287.279	0.204	20	30		CCEDRM
N#C[C@@H]1CN(C(=O)[O-])CCN1C(=O)COCC(F)(F)F	ZINC000831082791	604087339	/nfs/dbraw/zinc/08/73/39/604087339.db2.gz	REZYPBCIOFWKBP-SSDOTTSWSA-N	-1	0	295.217	0.280	20	30		CCEDRM
Cn1cc(C#N)c(NC(=O)N2CCC[C@H](NC(=O)[O-])C2)n1	ZINC000830984505	604154606	/nfs/dbraw/zinc/15/46/06/604154606.db2.gz	GCJMGBUFUYFNFV-VIFPVBQESA-N	-1	0	292.299	0.556	20	30		CCEDRM
N#C[C@H](C(=O)[C@@H]1CC[C@H](NC(=O)[O-])C1)C(=O)N1CCCC1	ZINC000831065953	604220139	/nfs/dbraw/zinc/22/01/39/604220139.db2.gz	UKBVGOLDTVDLKS-OUAUKWLOSA-N	-1	0	293.323	0.754	20	30		CCEDRM
Cc1cccc(C)c1NC(=O)C(=O)N(CC#N)CC(=O)[O-]	ZINC000832964027	604284913	/nfs/dbraw/zinc/28/49/13/604284913.db2.gz	CUYIXVRZHNLGHN-UHFFFAOYSA-N	-1	0	289.291	0.679	20	30		CCEDRM
N#Cc1ncn(CC(=O)N2C[C@H](C(=O)[O-])c3ccccc32)n1	ZINC000833078342	604314659	/nfs/dbraw/zinc/31/46/59/604314659.db2.gz	HNNRMYGNSZMLBG-JTQLQIEISA-N	-1	0	297.274	0.365	20	30		CCEDRM
C[C@@H](NC(=O)[O-])[C@@H]1CN(C(=O)NCCCCC#N)CCO1	ZINC000825317733	604546338	/nfs/dbraw/zinc/54/63/38/604546338.db2.gz	JNARXFFJBUWXOG-MNOVXSKESA-N	-1	0	298.343	0.747	20	30		CCEDRM
N#Cc1c(Cn2cnc([N+](=O)[O-])n2)cccc1C(=O)[O-]	ZINC000833761322	604551631	/nfs/dbraw/zinc/55/16/31/604551631.db2.gz	VHLZBOFWHKRMIN-UHFFFAOYSA-N	-1	0	273.208	0.804	20	30		CCEDRM
N#CCc1ccnc(NC(=O)[C@H]2C[C@H](O)CN2C(=O)[O-])c1	ZINC000831109436	604555163	/nfs/dbraw/zinc/55/51/63/604555163.db2.gz	JDZULTJLBOAYMA-VHSXEESVSA-N	-1	0	290.279	0.199	20	30		CCEDRM
C[C@H](NC(=O)[O-])[C@H]1CN(C(=O)C2(C#N)CC(C)C2)CCO1	ZINC000825783291	604714830	/nfs/dbraw/zinc/71/48/30/604714830.db2.gz	FXIOWGGBEJIKSS-DUEVMTECSA-N	-1	0	295.339	0.810	20	30		CCEDRM
C#CC[C@@H](NC(=O)[C@H](OC)c1ccc(O)cc1)C(=O)[O-]	ZINC000910051405	613041155	/nfs/dbraw/zinc/04/11/55/613041155.db2.gz	ULAWSEXVKSXCHB-VXGBXAGGSA-N	-1	0	277.276	0.672	20	30		CCEDRM
C#CC[C@@H](NC(=O)c1c(C)nsc1NC)C(=O)[O-]	ZINC000910052250	613041544	/nfs/dbraw/zinc/04/15/44/613041544.db2.gz	QFWMPGGJAQYQNU-SSDOTTSWSA-N	-1	0	267.310	0.700	20	30		CCEDRM
C[C@@H](C(=O)[O-])n1cccc1C=NN1CC(=O)NC1=O	ZINC000833407256	605039103	/nfs/dbraw/zinc/03/91/03/605039103.db2.gz	MISHEQQYSWIREI-ZETCQYMHSA-N	-1	0	264.241	0.019	20	30		CCEDRM
N#CCc1ccc(NC(=O)CNC(=O)CNC(=O)[O-])cc1	ZINC000833967664	605335899	/nfs/dbraw/zinc/33/58/99/605335899.db2.gz	LWCYTOUPALNZDT-UHFFFAOYSA-N	-1	0	290.279	0.075	20	30		CCEDRM
C[C@@]1(C#N)CCCN(CN2C[C@@H](C(=O)[O-])CC2=O)C1	ZINC000833551611	605350323	/nfs/dbraw/zinc/35/03/23/605350323.db2.gz	RBJRZBSPAPFQAH-GWCFXTLKSA-N	-1	0	265.313	0.503	20	30		CCEDRM
N#CCCCNC(=O)NC[C@@H]1CCCN1C(=O)[O-]	ZINC000833967552	605385625	/nfs/dbraw/zinc/38/56/25/605385625.db2.gz	FSJZLCKHXYXUTI-VIFPVBQESA-N	-1	0	254.290	0.732	20	30		CCEDRM
C#CCOCCNS(=O)(=O)c1ccc(CC(=O)[O-])cc1	ZINC000833366420	605420617	/nfs/dbraw/zinc/42/06/17/605420617.db2.gz	WIRDLFRUSHWLDW-UHFFFAOYSA-N	-1	0	297.332	0.242	20	30		CCEDRM
N#CCCCNC(=O)NC[C@H]1CCCN(C(=O)[O-])C1	ZINC000833967648	605423014	/nfs/dbraw/zinc/42/30/14/605423014.db2.gz	GQSKAUQAUKOWJA-SNVBAGLBSA-N	-1	0	268.317	0.979	20	30		CCEDRM
N#C[C@H]1CN(C(=O)CC[C@@H]2CCN(C(=O)[O-])C2)CCO1	ZINC000833966141	605458847	/nfs/dbraw/zinc/45/88/47/605458847.db2.gz	ICAPJJGYRJAJMG-MNOVXSKESA-N	-1	0	281.312	0.517	20	30		CCEDRM
N#Cc1ccc(C(=O)NC[C@@H]2CCN(C(=O)[O-])C2)cn1	ZINC000833973262	605525170	/nfs/dbraw/zinc/52/51/70/605525170.db2.gz	MOLQFCOUTVMLRL-VIFPVBQESA-N	-1	0	274.280	0.683	20	30		CCEDRM
N#C[C@H]1CN(Cc2ccc(NC(=O)[O-])nc2)CCO1	ZINC000833967073	605590634	/nfs/dbraw/zinc/59/06/34/605590634.db2.gz	PPJDVQXVFUIYCH-JTQLQIEISA-N	-1	0	262.269	0.896	20	30		CCEDRM
N#C[C@@H]1CN(C(=O)[O-])C[C@H]1NC[C@@H](O)Cc1ccccc1	ZINC000833965568	605673864	/nfs/dbraw/zinc/67/38/64/605673864.db2.gz	BWWGJMRULBZMKJ-HZSPNIEDSA-N	-1	0	289.335	0.682	20	30		CCEDRM
Cn1c(Cl)cnc1CN[C@H]1CN(C(=O)[O-])C[C@H]1C#N	ZINC000833942603	605684403	/nfs/dbraw/zinc/68/44/03/605684403.db2.gz	YPDBGPZLQJYTMM-SFYZADRCSA-N	-1	0	283.719	0.665	20	30		CCEDRM
N#Cc1cccc(CNC(=O)NCC2CN(C(=O)[O-])C2)c1	ZINC000833978565	605730604	/nfs/dbraw/zinc/73/06/04/605730604.db2.gz	OQQLIJFDMALMFR-UHFFFAOYSA-N	-1	0	288.307	0.967	20	30		CCEDRM
NC(=O)CON=Cc1cccc2c1N(C(=O)[O-])CC2	ZINC000833984802	605754881	/nfs/dbraw/zinc/75/48/81/605754881.db2.gz	IOTUFJKWXSKEGN-UHFFFAOYSA-N	-1	0	263.253	0.563	20	30		CCEDRM
C[C@@H](CNC(=O)[C@H](O)c1ccc(C#N)cc1)C(=O)[O-]	ZINC000833517086	605755612	/nfs/dbraw/zinc/75/56/12/605755612.db2.gz	GJWGCSMTWNEUEK-GZMMTYOYSA-N	-1	0	262.265	0.429	20	30		CCEDRM
N#Cc1ccc([C@@H](O)C(=O)N2CCN(C(=O)[O-])CC2)cc1	ZINC000833972367	605824424	/nfs/dbraw/zinc/82/44/24/605824424.db2.gz	BUWUDIVVUQOOCK-GFCCVEGCSA-N	-1	0	289.291	0.414	20	30		CCEDRM
N#Cc1ccc([C@H](O)C(=O)N2CC[C@H](NC(=O)[O-])C2)cc1	ZINC000833972386	605847210	/nfs/dbraw/zinc/84/72/10/605847210.db2.gz	COOVQHCCSGMACO-RYUDHWBXSA-N	-1	0	289.291	0.460	20	30		CCEDRM
N#Cc1ccc(C(=O)NC[C@@H]2CCCN2C(=O)[O-])[nH]1	ZINC000833974765	605865220	/nfs/dbraw/zinc/86/52/20/605865220.db2.gz	WOZQTOVMGQCQGU-VIFPVBQESA-N	-1	0	262.269	0.759	20	30		CCEDRM
N#Cc1cnn(C(=O)C[C@H]2CSCCN2C(=O)[O-])c1N	ZINC000831162231	605892096	/nfs/dbraw/zinc/89/20/96/605892096.db2.gz	YRGGLPQXLJOUEQ-QMMMGPOBSA-N	-1	0	295.324	0.463	20	30		CCEDRM
N#C[C@@H]1COCCN1C(=O)CCCCNC(=O)[O-]	ZINC000833968741	605923829	/nfs/dbraw/zinc/92/38/29/605923829.db2.gz	XRMXVFBLVMFDAN-SECBINFHSA-N	-1	0	255.274	0.175	20	30		CCEDRM
N#CC1CCN(C(=O)CN(C(=O)[O-])C2CC2)CC1	ZINC000833963103	605964502	/nfs/dbraw/zinc/96/45/02/605964502.db2.gz	GYSPJBRIQKYRJV-UHFFFAOYSA-N	-1	0	251.286	0.891	20	30		CCEDRM
N#CCN1CCC(NC(=O)CN(C(=O)[O-])C2CC2)CC1	ZINC000833966427	605966915	/nfs/dbraw/zinc/96/69/15/605966915.db2.gz	HGXOMMAKEFVHMX-UHFFFAOYSA-N	-1	0	280.328	0.233	20	30		CCEDRM
N#CCCN(CC1CC1)CN1C[C@H](NC(=O)[O-])CC1=O	ZINC000833965403	605994618	/nfs/dbraw/zinc/99/46/18/605994618.db2.gz	LTDZULXCGQWPGP-LLVKDONJSA-N	-1	0	280.328	0.438	20	30		CCEDRM
N#CC1(COC(=O)[C@]2(F)CCN(C(=O)[O-])C2)CC1	ZINC000833964480	606001257	/nfs/dbraw/zinc/00/12/57/606001257.db2.gz	ICSFHIGLINIHSI-NSHDSACASA-N	-1	0	256.233	0.925	20	30		CCEDRM
O=C([O-])N1CC(=NNCCOCC(F)(F)F)C1	ZINC000834066098	606008520	/nfs/dbraw/zinc/00/85/20/606008520.db2.gz	NNMNGWJITBUNHY-UHFFFAOYSA-N	-1	0	255.196	0.505	20	30		CCEDRM
N#Cc1cc(C(=O)N[C@@H](CNC(=O)[O-])C2CC2)c[nH]1	ZINC000833970960	606089241	/nfs/dbraw/zinc/08/92/41/606089241.db2.gz	ZENLMHTVWUVGRH-JTQLQIEISA-N	-1	0	262.269	0.662	20	30		CCEDRM
N#Cc1nc(NC(=O)[C@H]2C[C@H]2C2CC2)[n-]c1-c1nn[nH]n1	ZINC000822815691	606286628	/nfs/dbraw/zinc/28/66/28/606286628.db2.gz	XMGOTPSJIBOZBB-BQBZGAKWSA-N	-1	0	284.283	0.446	20	30		CCEDRM
C#CCCS(=O)(=O)[N-]C(=O)c1c(C)nn(CC)c1C	ZINC000810779602	613053305	/nfs/dbraw/zinc/05/33/05/613053305.db2.gz	UQTJCQMOFZNFOO-UHFFFAOYSA-N	-1	0	283.353	0.603	20	30		CCEDRM
C#CCCS(=O)(=O)[N-]C(=O)c1ccn(C(F)F)n1	ZINC000810783247	613053905	/nfs/dbraw/zinc/05/39/05/613053905.db2.gz	KDHPDPAVDHBXAZ-UHFFFAOYSA-N	-1	0	277.252	0.361	20	30		CCEDRM
C#CCCS(=O)(=O)[N-]C(=O)[C@H](C)OCCC=C	ZINC000810784751	613053147	/nfs/dbraw/zinc/05/31/47/613053147.db2.gz	NRGYNAZFHNFNHB-JTQLQIEISA-N	-1	0	259.327	0.437	20	30		CCEDRM
Cc1cc(C)n(N=Cc2ccn(C)c2)c(=O)c1-c1nnn[n-]1	ZINC000822199158	606624203	/nfs/dbraw/zinc/62/42/03/606624203.db2.gz	YLVKDXKTVCBGLU-UHFFFAOYSA-N	-1	0	297.322	0.866	20	30		CCEDRM
N#Cc1nc(NC(=O)C2CC(F)(F)C2)[n-]c1-c1nn[nH]n1	ZINC000822814331	606632936	/nfs/dbraw/zinc/63/29/36/606632936.db2.gz	FFYZPTZKXIIHEC-UHFFFAOYSA-N	-1	0	294.225	0.445	20	30		CCEDRM
C#CC[C@H](CO)NC(=O)c1cccc([O-])c1[N+](=O)[O-]	ZINC000854542952	613057967	/nfs/dbraw/zinc/05/79/67/613057967.db2.gz	SYDQXCDSTGSJBA-MRVPVSSYSA-N	-1	0	264.237	0.414	20	30		CCEDRM
C#CC[C@H](NC(=O)[C@@H]1C[C@H]1OC(C)(C)C)C(=O)[O-]	ZINC000910046934	613068900	/nfs/dbraw/zinc/06/89/00/613068900.db2.gz	UNJTWNUJSLEMLC-KXUCPTDWSA-N	-1	0	253.298	0.783	20	30		CCEDRM
Cc1cccnc1Cn1c(N)nc(-c2nnn[n-]2)c1C#N	ZINC000826308656	609174697	/nfs/dbraw/zinc/17/46/97/609174697.db2.gz	JRSNCVGBPNHWFD-UHFFFAOYSA-N	-1	0	281.283	0.269	20	30		CCEDRM
C#CCN(CC(=O)[O-])S(=O)(=O)c1sccc1C	ZINC000849219204	613103972	/nfs/dbraw/zinc/10/39/72/613103972.db2.gz	MIJKIEFKNGFCAM-UHFFFAOYSA-N	-1	0	273.335	0.765	20	30		CCEDRM
C[C@@]1(C#N)CCCN(c2nccnc2-c2nnn[n-]2)C1	ZINC000824777435	609600444	/nfs/dbraw/zinc/60/04/44/609600444.db2.gz	IQTVQARFYBOCHR-LBPRGKRZSA-N	-1	0	270.300	0.787	20	30		CCEDRM
C=C(Cl)C[C@@H](NS(=O)(=O)CCOC)C(=O)[O-]	ZINC000863420780	613388654	/nfs/dbraw/zinc/38/86/54/613388654.db2.gz	RPVNYQYJDWIOME-SSDOTTSWSA-N	-1	0	271.722	0.148	20	30		CCEDRM
C#CCC(C)(C)C(=O)[N-]S(=O)(=O)N1CCCC1	ZINC000810547810	612966101	/nfs/dbraw/zinc/96/61/01/612966101.db2.gz	JAYHCFHITWDNTG-UHFFFAOYSA-N	-1	0	258.343	0.493	20	30		CCEDRM
CC(C)CN(CCC#N)C(=O)COC1CN(C(=O)[O-])C1	ZINC000824251732	614078546	/nfs/dbraw/zinc/07/85/46/614078546.db2.gz	NCKZTTRYMLZYBH-UHFFFAOYSA-N	-1	0	283.328	0.763	20	30		CCEDRM
CC(C)(CC(=O)[O-])NC(=O)[C@@H](O)c1ccc(C#N)cc1	ZINC000833455897	614079369	/nfs/dbraw/zinc/07/93/69/614079369.db2.gz	DTWVFKFTASLAHA-LBPRGKRZSA-N	-1	0	276.292	0.961	20	30		CCEDRM
CC(C)(CNC(=O)C1(C#N)CCOCC1)CC(=O)[O-]	ZINC000910826999	614093266	/nfs/dbraw/zinc/09/32/66/614093266.db2.gz	JBLOEGRLRJICQC-UHFFFAOYSA-N	-1	0	268.313	0.924	20	30		CCEDRM
CC(C)[C@@H](NC(=O)[O-])C(=O)NC[C@@H]1CCCN(CC#N)C1	ZINC000824137998	614124732	/nfs/dbraw/zinc/12/47/32/614124732.db2.gz	YNMVVZBXTCETDJ-NWDGAFQWSA-N	-1	0	296.371	0.630	20	30		CCEDRM
CC(C)C#CC(=O)N1CCC[C@H](c2n[nH]c(=O)[n-]2)C1	ZINC000854364399	614325832	/nfs/dbraw/zinc/32/58/32/614325832.db2.gz	FOLDNUQHKFOAGH-JTQLQIEISA-N	-1	0	262.313	0.876	20	30		CCEDRM
CSC[C@@H](NC(=O)[C@]1(C#N)CCCOC1)C(=O)[O-]	ZINC000923104694	617249769	/nfs/dbraw/zinc/24/97/69/617249769.db2.gz	SBOQPKBZADDCEM-KCJUWKMLSA-N	-1	0	272.326	0.239	20	30		CCEDRM
COc1ccc(OC)c(C(=O)N[C@H]2CCN(O)C2=O)c1	ZINC000816695212	617275084	/nfs/dbraw/zinc/27/50/84/617275084.db2.gz	XIZGLBFBQVUQFU-JTQLQIEISA-N	-1	0	280.280	0.424	20	30		CCEDRM
CS[C@H](CO)[C@@H](C)NC(=O)[C@](C)(C#N)CC(=O)[O-]	ZINC000820900424	617276634	/nfs/dbraw/zinc/27/66/34/617276634.db2.gz	VFLSNZHEUXLZOU-XLDPMVHQSA-N	-1	0	274.342	0.220	20	30		CCEDRM
C[C@@H](C#N)C(=O)N(C1CC1)[C@H]1CCN(C(=O)[O-])C1	ZINC000823646345	617286841	/nfs/dbraw/zinc/28/68/41/617286841.db2.gz	AGWHVPVHXYRENJ-WPRPVWTQSA-N	-1	0	251.286	0.889	20	30		CCEDRM
C[C@@H](C#N)C(=O)N1CCC[C@H]1CN(C)Cc1n[nH]c(=O)[n-]1	ZINC000960498772	617290164	/nfs/dbraw/zinc/29/01/64/617290164.db2.gz	DCQBICRQAXLVIJ-UWVGGRQHSA-N	-1	0	292.343	0.093	20	30		CCEDRM
COc1cccc(C=Nn2c(=O)[n-][nH]c2=O)c1OC	ZINC000814234065	617295181	/nfs/dbraw/zinc/29/51/81/617295181.db2.gz	PSXOVTUIAYGKNB-UHFFFAOYSA-N	-1	0	264.241	0.589	20	30		CCEDRM
C#CC1CCN(C(=O)COCc2ocnc2C(=O)[O-])CC1	ZINC000911406593	612962924	/nfs/dbraw/zinc/96/29/24/612962924.db2.gz	TVFGCRLIOZUGDX-UHFFFAOYSA-N	-1	0	292.291	0.761	20	30		CCEDRM
C#CCCCCC(=O)N1CC[C@@H](n2cc(C(=O)[O-])nn2)C1	ZINC000910100575	612975444	/nfs/dbraw/zinc/97/54/44/612975444.db2.gz	WQJGOGSBCLSUME-LLVKDONJSA-N	-1	0	290.323	0.943	20	30		CCEDRM
C#CCCCCNC(=O)C(=O)NC[C@@H](C(=O)[O-])C1CCC1	ZINC000853344948	612977104	/nfs/dbraw/zinc/97/71/04/612977104.db2.gz	ILVKOXKYLVIUFN-GFCCVEGCSA-N	-1	0	294.351	0.523	20	30		CCEDRM
C#CCCCCNC(=O)N[C@H](CSC)C(=O)[O-]	ZINC000905525661	612978089	/nfs/dbraw/zinc/97/80/89/612978089.db2.gz	IHKWGEDMFWKECV-SECBINFHSA-N	-1	0	258.343	0.905	20	30		CCEDRM
C#CCCCCNC(=O)N[C@](C)(Cn1cccn1)C(=O)[O-]	ZINC000900284358	612978179	/nfs/dbraw/zinc/97/81/79/612978179.db2.gz	JAIFBYWEXPUEOG-CQSZACIVSA-N	-1	0	292.339	0.829	20	30		CCEDRM
C#CCCCCNC(=O)c1cc(-c2nn[nH]n2)c[nH]1	ZINC000819692439	612978319	/nfs/dbraw/zinc/97/83/19/612978319.db2.gz	FUMVKDMSNJPNOV-UHFFFAOYSA-N	-1	0	258.285	0.728	20	30		CCEDRM
C#CCCCNC(=O)C(=O)NC[C@H](CC(=O)[O-])CC(C)C	ZINC000851680447	612980405	/nfs/dbraw/zinc/98/04/05/612980405.db2.gz	IFIMOZOMCBIWHS-LBPRGKRZSA-N	-1	0	296.367	0.769	20	30		CCEDRM
C#CCOCCOC(=O)[C@@H]1CC[C@@H](NC(=O)[O-])C1	ZINC000823463060	612990608	/nfs/dbraw/zinc/99/06/08/612990608.db2.gz	JXKIYTGFZDLIKC-NXEZZACHSA-N	-1	0	255.270	0.616	20	30		CCEDRM
C#CCOCCOC(=O)[C@H]1CCCN(C(=O)[O-])C1	ZINC000823463872	612990742	/nfs/dbraw/zinc/99/07/42/612990742.db2.gz	XCXBSBIKWNWEOU-JTQLQIEISA-N	-1	0	255.270	0.569	20	30		CCEDRM
C#CCOCCOC(=O)[C@H]1CC[C@H](NC(=O)[O-])C1	ZINC000823463214	612990867	/nfs/dbraw/zinc/99/08/67/612990867.db2.gz	JXKIYTGFZDLIKC-UWVGGRQHSA-N	-1	0	255.270	0.616	20	30		CCEDRM
C#CCO[N-]C(=O)COc1ccc(N2CCCC2=O)cc1	ZINC000812782050	612992112	/nfs/dbraw/zinc/99/21/12/612992112.db2.gz	NQFLZEKSYZCTGS-UHFFFAOYSA-N	-1	0	288.303	0.873	20	30		CCEDRM
C#CCO[N-]C(=O)[C@@H]1CN(C(=O)OC(C)(C)C)CCN1C	ZINC000824483887	612992675	/nfs/dbraw/zinc/99/26/75/612992675.db2.gz	MSLSVMPURVKAIG-NSHDSACASA-N	-1	0	297.355	0.219	20	30		CCEDRM
C#CCO[N-]C(=O)[C@@H]1OCCO[C@@H]1c1ccccc1	ZINC000855607023	612992721	/nfs/dbraw/zinc/99/27/21/612992721.db2.gz	SAKCWUNYVOOIQW-CHWSQXEVSA-N	-1	0	261.277	0.824	20	30		CCEDRM
C#CCO[N-]C(=O)[C@@]1(c2ccccc2)CCC(=O)NC1	ZINC000855606619	612992769	/nfs/dbraw/zinc/99/27/69/612992769.db2.gz	LNQCWKUCADLQMK-HNNXBMFYSA-N	-1	0	272.304	0.515	20	30		CCEDRM
C#CCONC(=O)c1ccccc1[N-]S(=O)(=O)CC	ZINC000855604120	612993502	/nfs/dbraw/zinc/99/35/02/612993502.db2.gz	YVSWSSFVSULDLZ-UHFFFAOYSA-N	-1	0	282.321	0.743	20	30		CCEDRM
C#CCO[C@@H](C)C(=O)N[C@@]1(CC(=O)[O-])CCCOC1	ZINC000909694143	612997333	/nfs/dbraw/zinc/99/73/33/612997333.db2.gz	SWHZMZRRWYTFBB-GXFFZTMASA-N	-1	0	269.297	0.165	20	30		CCEDRM
C#CCOc1ccc(C(=O)NC[C@@](C)(O)C(=O)[O-])cc1	ZINC000911473004	613005092	/nfs/dbraw/zinc/00/50/92/613005092.db2.gz	LNZDISOQCXFKHT-CQSZACIVSA-N	-1	0	277.276	0.264	20	30		CCEDRM
C#CCOc1ccc(F)cc1NCC(=O)NCC(=O)[O-]	ZINC000819705715	613006465	/nfs/dbraw/zinc/00/64/65/613006465.db2.gz	ADRYKBVIBXTTQQ-UHFFFAOYSA-N	-1	0	280.255	0.450	20	30		CCEDRM
C#CC[C@@H](CO)NC(=O)c1ccc([O-])c([N+](=O)[O-])c1	ZINC000820069176	613029202	/nfs/dbraw/zinc/02/92/02/613029202.db2.gz	BQVHVAVRHXCLML-VIFPVBQESA-N	-1	0	264.237	0.414	20	30		CCEDRM
C#CC[C@@H](NC(=O)CCC(=O)NC1CCCC1)C(=O)[O-]	ZINC000910054586	613039408	/nfs/dbraw/zinc/03/94/08/613039408.db2.gz	QYJIPBOPVNZQFY-LLVKDONJSA-N	-1	0	280.324	0.418	20	30		CCEDRM
C#CC[C@@H](NC(=O)Cc1ccc2c(c1)COC2)C(=O)[O-]	ZINC000910050143	613040216	/nfs/dbraw/zinc/04/02/16/613040216.db2.gz	GEKOBRXCCJXSPO-CYBMUJFWSA-N	-1	0	273.288	0.852	20	30		CCEDRM
C#CC[C@@H](NC(=O)[C@H]1CCc2c[nH]nc2C1)C(=O)[O-]	ZINC000910050544	613041322	/nfs/dbraw/zinc/04/13/22/613041322.db2.gz	KPNOMEILJFWRMR-WCBMZHEXSA-N	-1	0	261.281	0.107	20	30		CCEDRM
C#CC[C@@H](NC(=O)c1cc(C2CC2)n(CC)n1)C(=O)[O-]	ZINC000910047942	613041771	/nfs/dbraw/zinc/04/17/71/613041771.db2.gz	AMJADIYRCQIAJZ-SNVBAGLBSA-N	-1	0	275.308	0.987	20	30		CCEDRM
C#CC[C@@H](NC(=O)c1cccnc1N(C)C)C(=O)[O-]	ZINC000910051963	613042092	/nfs/dbraw/zinc/04/20/92/613042092.db2.gz	KCBPKSUMYALBSE-SNVBAGLBSA-N	-1	0	261.281	0.354	20	30		CCEDRM
C#CC[C@@H](NC(=O)c1cnn(CCOCC)c1)C(=O)[O-]	ZINC000910046539	613042571	/nfs/dbraw/zinc/04/25/71/613042571.db2.gz	RSEPQGDVATXBNM-LLVKDONJSA-N	-1	0	279.296	0.126	20	30		CCEDRM
C#CCCNC(=O)N1C[C@@H](C)N(C(=O)[O-])C[C@@H]1C	ZINC000833787483	613047163	/nfs/dbraw/zinc/04/71/63/613047163.db2.gz	QNHSBFJLZWJNCZ-VHSXEESVSA-N	-1	0	253.302	0.792	20	30		CCEDRM
C#CCCNS(=O)(=O)c1ccc(F)cc1-c1nn[nH]n1	ZINC000823844715	613048121	/nfs/dbraw/zinc/04/81/21/613048121.db2.gz	HHQPRMKMGZQWLZ-UHFFFAOYSA-N	-1	0	295.299	0.307	20	30		CCEDRM
C#CCCS(=O)(=O)[N-]C(=O)CCc1cscn1	ZINC000798202479	613052745	/nfs/dbraw/zinc/05/27/45/613052745.db2.gz	GMDIFPQABBVXHW-UHFFFAOYSA-N	-1	0	272.351	0.545	20	30		CCEDRM
C#CCCS(=O)(=O)[N-]C(=O)CCCOC(C)C	ZINC000810785170	613052756	/nfs/dbraw/zinc/05/27/56/613052756.db2.gz	AJYHRZZSWMINNH-UHFFFAOYSA-N	-1	0	261.343	0.661	20	30		CCEDRM
C#CCCS(=O)(=O)[N-]C(=O)[C@@H]1C[C@@]1(C)Br	ZINC000860722342	613053132	/nfs/dbraw/zinc/05/31/32/613053132.db2.gz	WQDJIBCAAZZUGI-IONNQARKSA-N	-1	0	294.170	0.629	20	30		CCEDRM
C#CCCS(=O)(=O)[N-]C(=O)c1cccc(OC)c1OC	ZINC000791111012	613053513	/nfs/dbraw/zinc/05/35/13/613053513.db2.gz	KUSFNPNYGTUWBJ-UHFFFAOYSA-N	-1	0	297.332	0.787	20	30		CCEDRM
C#CCCS(=O)(=O)[N-]C(=O)c1ccc([N+](=O)[O-])n1C	ZINC000810780210	613053590	/nfs/dbraw/zinc/05/35/90/613053590.db2.gz	TZJRHBHNNWTRQU-UHFFFAOYSA-N	-1	0	285.281	0.016	20	30		CCEDRM
C#CCCS(=O)(=O)[N-]C(=O)c1cc(C)oc1C	ZINC000798203333	613053675	/nfs/dbraw/zinc/05/36/75/613053675.db2.gz	YIQCHSLOMMMBNU-UHFFFAOYSA-N	-1	0	255.295	0.979	20	30		CCEDRM
C#CCCS(=O)(=O)[N-]C(=O)c1cnn(CCC)c1	ZINC000798202406	613053730	/nfs/dbraw/zinc/05/37/30/613053730.db2.gz	CHXSBAJJJUCBSJ-UHFFFAOYSA-N	-1	0	269.326	0.376	20	30		CCEDRM
C#CCCS(=O)(=O)[N-]C(=O)c1cccc2nccnc21	ZINC000810782304	613053771	/nfs/dbraw/zinc/05/37/71/613053771.db2.gz	LMVFWFYXQUWYTM-UHFFFAOYSA-N	-1	0	289.316	0.713	20	30		CCEDRM
C#CCCS(=O)(=O)[N-]C(=O)c1ccnn1CCC	ZINC000851000039	613053845	/nfs/dbraw/zinc/05/38/45/613053845.db2.gz	NSKITZJNFGHGER-UHFFFAOYSA-N	-1	0	269.326	0.376	20	30		CCEDRM
C#CCCS(=O)(=O)[N-]C(=O)c1cnn2c1C[C@H](C)CC2	ZINC000842780311	613053856	/nfs/dbraw/zinc/05/38/56/613053856.db2.gz	JXYRGEGPLZZCNU-SNVBAGLBSA-N	-1	0	295.364	0.548	20	30		CCEDRM
C#CCN(C(=O)Cn1[n-]cc2c(=O)ncnc1-2)C(C)(C)C	ZINC000906269868	613066524	/nfs/dbraw/zinc/06/65/24/613066524.db2.gz	RJEPYZIWYBSKKE-UHFFFAOYSA-N	-1	0	287.323	0.332	20	30		CCEDRM
C#CC[C@H](NC(=O)CCc1nccs1)C(=O)[O-]	ZINC000910051971	613067753	/nfs/dbraw/zinc/06/77/53/613067753.db2.gz	KGYKJKPJKZOCQZ-QMMMGPOBSA-N	-1	0	252.295	0.668	20	30		CCEDRM
C#CC[C@H](NC(=O)C[C@H]1CSCCS1)C(=O)[O-]	ZINC000910046456	613068079	/nfs/dbraw/zinc/06/80/79/613068079.db2.gz	PYTNCMQTAKVPFO-IUCAKERBSA-N	-1	0	273.379	0.818	20	30		CCEDRM
C#CC[C@H](NC(=O)[C@H]1CCC(=O)[C@H](C)C1)C(=O)[O-]	ZINC000910050847	613069448	/nfs/dbraw/zinc/06/94/48/613069448.db2.gz	OTLFTCITSYRTGV-UTLUCORTSA-N	-1	0	251.282	0.584	20	30		CCEDRM
C#CC[C@H](NC(=O)[C@H](O)CCc1ccccc1)C(=O)[O-]	ZINC000910052082	613069562	/nfs/dbraw/zinc/06/95/62/613069562.db2.gz	NQSGRBWDAJACBB-QWHCGFSZSA-N	-1	0	275.304	0.573	20	30		CCEDRM
C#CCN(C)C(=O)C(=O)N1CCC(CCC(=O)[O-])CC1	ZINC000852915988	613070944	/nfs/dbraw/zinc/07/09/44/613070944.db2.gz	SHFHTCABMZCYOM-UHFFFAOYSA-N	-1	0	280.324	0.181	20	30		CCEDRM
C#C[C@@H](NC(=O)N1CCC[C@H](C(=O)[O-])C1)[C@@H]1CCCO1	ZINC000874397726	613093741	/nfs/dbraw/zinc/09/37/41/613093741.db2.gz	AUZSTCSLNRXGSY-TUAOUCFPSA-N	-1	0	280.324	0.673	20	30		CCEDRM
C#CCN(CC(=O)[O-])S(=O)(=O)Cc1ccccc1C	ZINC000849219493	613103574	/nfs/dbraw/zinc/10/35/74/613103574.db2.gz	YVBAPXUBEPBCKK-UHFFFAOYSA-N	-1	0	281.333	0.845	20	30		CCEDRM
C#C[C@H](C)NC(=O)c1cc(=O)n(-c2nc(C)cc(C)n2)[n-]1	ZINC000907491341	613118580	/nfs/dbraw/zinc/11/85/80/613118580.db2.gz	KQTNLVAAKLIKMA-QMMMGPOBSA-N	-1	0	285.307	0.324	20	30		CCEDRM
C#C[C@H](CO)NC(=O)CSc1n[n-]c(=S)s1	ZINC000854772895	613125176	/nfs/dbraw/zinc/12/51/76/613125176.db2.gz	BWEVTTUYOKRXFS-RXMQYKEDSA-N	-1	0	275.380	0.029	20	30		CCEDRM
C#C[C@H](NC(=O)CC[C@@H]1C[C@H](C(=O)[O-])CO1)[C@H]1CCCO1	ZINC000911579732	613133120	/nfs/dbraw/zinc/13/31/20/613133120.db2.gz	PGNOANMYDULIDL-QNWHQSFQSA-N	-1	0	295.335	0.553	20	30		CCEDRM
C#C[C@H](NC(=O)NC[C@@H](C(=O)[O-])C1CCC1)[C@H]1CCCO1	ZINC000854233804	613140095	/nfs/dbraw/zinc/14/00/95/613140095.db2.gz	MHMHRSSNUKTYEV-FRRDWIJNSA-N	-1	0	294.351	0.967	20	30		CCEDRM
C#C[C@H]([N-]S(=O)(=O)N=[S@](C)(=O)CC)[C@@H]1CCCO1	ZINC000867124519	613152075	/nfs/dbraw/zinc/15/20/75/613152075.db2.gz	CJBMKWPNKWUFPT-FJHFEUQMSA-N	-1	0	294.398	0.119	20	30		CCEDRM
C#C[C@H]1CCCCN1C(=O)CSc1n[nH]c(=O)[n-]1	ZINC000890653974	613154088	/nfs/dbraw/zinc/15/40/88/613154088.db2.gz	WLWPXJVUEASYMH-QMMMGPOBSA-N	-1	0	266.326	0.617	20	30		CCEDRM
C#C[C@](C)(CC)[N-]S(=O)(=O)c1cc(C(=O)OC)no1	ZINC000867322402	613164494	/nfs/dbraw/zinc/16/44/94/613164494.db2.gz	OCUZKJZSJDAKMR-LLVKDONJSA-N	-1	0	286.309	0.541	20	30		CCEDRM
C#Cc1ccc(C(=O)N(C)[C@@H](COCC)C(=O)[O-])nc1	ZINC000825636762	613165854	/nfs/dbraw/zinc/16/58/54/613165854.db2.gz	SHLZBQLJIMASGW-LBPRGKRZSA-N	-1	0	276.292	0.625	20	30		CCEDRM
C#Cc1ccc(C(=O)N(CCOC)CC(=O)[O-])cc1	ZINC000908848300	613167045	/nfs/dbraw/zinc/16/70/45/613167045.db2.gz	DELZXSMPQHVSCV-UHFFFAOYSA-N	-1	0	261.277	0.841	20	30		CCEDRM
C#Cc1ccc(C(=O)N2CCC[C@@H](O)[C@H]2C(=O)[O-])cc1	ZINC000911630405	613169152	/nfs/dbraw/zinc/16/91/52/613169152.db2.gz	JEUHPDQKWKNZHN-OLZOCXBDSA-N	-1	0	273.288	0.718	20	30		CCEDRM
C#Cc1ccc(C(=O)N2CCC[C@H](O)[C@@H]2C(=O)[O-])cc1	ZINC000911630406	613169543	/nfs/dbraw/zinc/16/95/43/613169543.db2.gz	JEUHPDQKWKNZHN-QWHCGFSZSA-N	-1	0	273.288	0.718	20	30		CCEDRM
C#Cc1ccc(C(=O)N2CCN(C(=O)[O-])C[C@@H]2C#N)cn1	ZINC000823467537	613169664	/nfs/dbraw/zinc/16/96/64/613169664.db2.gz	ZJUBAZUQLFXKAW-LBPRGKRZSA-N	-1	0	284.275	0.391	20	30		CCEDRM
C#CCN1CCN(C(=O)/C=C\c2ccc(C(=O)[O-])o2)CC1	ZINC000911149976	613204305	/nfs/dbraw/zinc/20/43/05/613204305.db2.gz	BXSBRQWEVFDQKB-XQRVVYSFSA-N	-1	0	288.303	0.768	20	30		CCEDRM
C#CCN1CCN(C(=O)[C@@H]2CC[C@@H](NC(=O)[O-])C2)CC1	ZINC000823451457	613207040	/nfs/dbraw/zinc/20/70/40/613207040.db2.gz	VVOSSVOXFWYBAF-VXGBXAGGSA-N	-1	0	279.340	0.200	20	30		CCEDRM
C#Cc1cncc(C(=O)N2CC[C@@](C)(C(=O)[O-])C2)c1	ZINC000909299534	613214705	/nfs/dbraw/zinc/21/47/05/613214705.db2.gz	DEFKWRWGCYJPFG-CQSZACIVSA-N	-1	0	258.277	1.000	20	30		CCEDRM
C#Cc1cncc(C(=O)N2CC[C@H]3[C@@H](C(=O)[O-])[C@H]3C2)c1	ZINC000910849120	613214799	/nfs/dbraw/zinc/21/47/99/613214799.db2.gz	OGXIPXLXARGPJF-FRRDWIJNSA-N	-1	0	270.288	0.856	20	30		CCEDRM
C#CCNC(=O)C1CCN(C(=O)C[C@@H](C)NC(=O)[O-])CC1	ZINC000823455465	613322981	/nfs/dbraw/zinc/32/29/81/613322981.db2.gz	CSADWICOAUKQHR-SNVBAGLBSA-N	-1	0	295.339	0.021	20	30		CCEDRM
C=C(C)COCCNC(=O)[C@@H]1CCN(C(=O)[O-])C1	ZINC000823481021	613352138	/nfs/dbraw/zinc/35/21/38/613352138.db2.gz	VPVZTHXGCRWZAI-SNVBAGLBSA-N	-1	0	256.302	0.695	20	30		CCEDRM
C=C(C)CO[N-]C(=O)C(=O)Nc1c(C)nn(C)c1C	ZINC000846147374	613352342	/nfs/dbraw/zinc/35/23/42/613352342.db2.gz	XGWJUKSGASJQMB-UHFFFAOYSA-N	-1	0	266.301	0.599	20	30		CCEDRM
C=C(C)CO[N-]C(=O)C(=O)Nc1cccnc1OC	ZINC000846150412	613352430	/nfs/dbraw/zinc/35/24/30/613352430.db2.gz	GDNBIZHZGPAOOH-UHFFFAOYSA-N	-1	0	265.269	0.653	20	30		CCEDRM
C=C(C)CO[N-]C(=O)CNC(=O)COc1ccccc1	ZINC000846540779	613352443	/nfs/dbraw/zinc/35/24/43/613352443.db2.gz	JYEXKMRIMBZWGK-UHFFFAOYSA-N	-1	0	278.308	0.806	20	30		CCEDRM
C=C(C)CONC(=O)N=c1ccnc2n(C)[nH]cc1-2	ZINC000844651325	613353181	/nfs/dbraw/zinc/35/31/81/613353181.db2.gz	XPASCDPQBPYARH-UHFFFAOYSA-N	-1	0	261.285	0.971	20	30		CCEDRM
C=C(C)CS(=O)(=O)N1CCC[C@@](OC)(C(=O)[O-])C1	ZINC000871773525	613354054	/nfs/dbraw/zinc/35/40/54/613354054.db2.gz	XUJSCWJFMPCFEF-NSHDSACASA-N	-1	0	277.342	0.458	20	30		CCEDRM
C=C(C)C[C@@H](NC(=O)[C@H](C)C(=O)[O-])C(=O)OCC	ZINC000902692127	613356010	/nfs/dbraw/zinc/35/60/10/613356010.db2.gz	GRSDRUROMZRBAK-DTWKUNHWSA-N	-1	0	257.286	0.721	20	30		CCEDRM
C=C(C)C[C@@H](NC(C)=O)C(=O)[N-]OCCCOC	ZINC000854449658	613356408	/nfs/dbraw/zinc/35/64/08/613356408.db2.gz	OVLSNDCHIAYVHK-LLVKDONJSA-N	-1	0	258.318	0.542	20	30		CCEDRM
C=C(C)C[C@H](NC(=O)COCc1nccn1C)C(=O)[O-]	ZINC000910291578	613358636	/nfs/dbraw/zinc/35/86/36/613358636.db2.gz	JVYJOWREPHUDLC-JTQLQIEISA-N	-1	0	281.312	0.472	20	30		CCEDRM
C=C(C)C[C@H](NC(=O)N[C@@H]1CO[C@@H](C)C1)C(=O)[O-]	ZINC000909037212	613358772	/nfs/dbraw/zinc/35/87/72/613358772.db2.gz	DIMZABJKMSRGFL-GUBZILKMSA-N	-1	0	256.302	0.882	20	30		CCEDRM
C=C(C)C[C@H](NC(=O)NC[C@@H]1COCCO1)C(=O)[O-]	ZINC000864529727	613358809	/nfs/dbraw/zinc/35/88/09/613358809.db2.gz	YYAZQRVWDAYNNZ-ZJUUUORDSA-N	-1	0	272.301	0.120	20	30		CCEDRM
C=C(C)C[C@H](NC(=O)Cn1nccc1C)C(=O)[O-]	ZINC000910291106	613358817	/nfs/dbraw/zinc/35/88/17/613358817.db2.gz	DBKCLLCPPWONIE-JTQLQIEISA-N	-1	0	251.286	0.727	20	30		CCEDRM
C=C(C)C[C@H](NC(=O)c1cnn(C)c1C)C(=O)[O-]	ZINC000910287141	613359129	/nfs/dbraw/zinc/35/91/29/613359129.db2.gz	OEOCOOQUBFWRLZ-JTQLQIEISA-N	-1	0	251.286	0.878	20	30		CCEDRM
C=C(Cl)C[C@@H](NC(=O)c1cc(=O)[nH][n-]1)C(=O)OCC	ZINC000870031349	613388472	/nfs/dbraw/zinc/38/84/72/613388472.db2.gz	NXWQPNDROKXOQX-MRVPVSSYSA-N	-1	0	287.703	0.053	20	30		CCEDRM
C=C(Cl)C[C@@H](NC(=O)Cc1cnn(C)c1)C(=O)[O-]	ZINC000864189361	613388527	/nfs/dbraw/zinc/38/85/27/613388527.db2.gz	OQHODVBHRBXQEG-SECBINFHSA-N	-1	0	271.704	0.675	20	30		CCEDRM
C=C(Cl)C[C@H](NS(=O)(=O)c1c[nH]nc1C)C(=O)[O-]	ZINC000863420794	613390949	/nfs/dbraw/zinc/39/09/49/613390949.db2.gz	NBJFZSAWRGMRHS-ZETCQYMHSA-N	-1	0	293.732	0.592	20	30		CCEDRM
C=C1CC(C)(C(=O)N[C@H](C)C(=O)N[C@H](C)C(=O)[O-])C1	ZINC000910749934	613399473	/nfs/dbraw/zinc/39/94/73/613399473.db2.gz	YFABEIUNOZGFRP-RKDXNWHRSA-N	-1	0	268.313	0.437	20	30		CCEDRM
C=CC[C@@H](CC)NC(=O)Cn1[n-]cc2c(=O)ncnc1-2	ZINC000798550851	613401006	/nfs/dbraw/zinc/40/10/06/613401006.db2.gz	GMBMDMLWGSLLMF-SECBINFHSA-N	-1	0	275.312	0.542	20	30		CCEDRM
C=C1CCC(CNC(=O)C(=O)N(C)CCC(=O)[O-])CC1	ZINC000927962639	613413481	/nfs/dbraw/zinc/41/34/81/613413481.db2.gz	HGAZEDVRMFSEEO-UHFFFAOYSA-N	-1	0	282.340	0.782	20	30		CCEDRM
C=CC[C@H](CO)CNS(=O)(=O)c1cc(C(=O)[O-])co1	ZINC000833370483	613416243	/nfs/dbraw/zinc/41/62/43/613416243.db2.gz	KUPPNQYIKIRKLG-QMMMGPOBSA-N	-1	0	289.309	0.441	20	30		CCEDRM
C=C[C@@H](C)O[N-]C(=O)C(=O)Nc1cncnc1OC	ZINC000846153186	613443163	/nfs/dbraw/zinc/44/31/63/613443163.db2.gz	HLIGLALXISTPLQ-SSDOTTSWSA-N	-1	0	266.257	0.046	20	30		CCEDRM
C=C[C@@H](C)O[N-]C(=O)CNS(=O)(=O)c1ccccc1N	ZINC000855026496	613443574	/nfs/dbraw/zinc/44/35/74/613443574.db2.gz	GRKFXWXPXPGXEQ-SECBINFHSA-N	-1	0	299.352	0.169	20	30		CCEDRM
C=CC(C)(C)C(=O)[N-]S(=O)(=O)[C@@H](C)C(=O)OC	ZINC000835294458	613444386	/nfs/dbraw/zinc/44/43/86/613444386.db2.gz	CNAWZWZBZOUUFK-ZETCQYMHSA-N	-1	0	263.315	0.206	20	30		CCEDRM
C=CC(C)(C)CC(=O)[N-]S(=O)(=O)c1cnc(OC)nc1	ZINC000893773141	613446135	/nfs/dbraw/zinc/44/61/35/613446135.db2.gz	KGHRTJVYWUXLST-UHFFFAOYSA-N	-1	0	299.352	0.892	20	30		CCEDRM
C=C[C@@H](CC)CC(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)[O-]	ZINC000907743985	613448688	/nfs/dbraw/zinc/44/86/88/613448688.db2.gz	NDOKSJPTQWSKTE-GUBZILKMSA-N	-1	0	270.329	0.683	20	30		CCEDRM
C=C[C@@H](CCC(=O)[O-])NS(=O)(=O)CC1CCOCC1	ZINC000871742710	613449152	/nfs/dbraw/zinc/44/91/52/613449152.db2.gz	UGSYHXLZZJNVNJ-NSHDSACASA-N	-1	0	291.369	0.752	20	30		CCEDRM
C=CC1(S(=O)(=O)[N-]C(=O)/C=C\[C@H]2CCCO2)CC1	ZINC000870838840	613449769	/nfs/dbraw/zinc/44/97/69/613449769.db2.gz	OFALEYBTFZNJPA-WWQCOOJYSA-N	-1	0	271.338	0.886	20	30		CCEDRM
C=CC1(S(=O)(=O)[N-]C(=O)C2(OC)CCC2)CC1	ZINC000870836182	613450385	/nfs/dbraw/zinc/45/03/85/613450385.db2.gz	ZGFCWWDIVCFBDJ-UHFFFAOYSA-N	-1	0	259.327	0.720	20	30		CCEDRM
C=CC1(S(=O)(=O)[N-]C(=O)C2CC(OCC)C2)CC1	ZINC000870838364	613450388	/nfs/dbraw/zinc/45/03/88/613450388.db2.gz	VZWCDNSNNPLYQX-UHFFFAOYSA-N	-1	0	273.354	0.966	20	30		CCEDRM
C=CC1(S(=O)(=O)[N-]C(=O)[C@@H](C)c2ccnn2C)CC1	ZINC000870837915	613450865	/nfs/dbraw/zinc/45/08/65/613450865.db2.gz	ZPNSGQDICCBICM-VIFPVBQESA-N	-1	0	283.353	0.688	20	30		CCEDRM
C=CC1(S(=O)(=O)[N-]C(=O)Cc2cnn(C)c2)CC1	ZINC000870832493	613450881	/nfs/dbraw/zinc/45/08/81/613450881.db2.gz	JIFNHRGKWUFDCP-UHFFFAOYSA-N	-1	0	269.326	0.127	20	30		CCEDRM
C=CC1(S(=O)(=O)[N-]C(=O)[C@@H]2C[C@H]2c2cnn(C)c2)CC1	ZINC000870837385	613451328	/nfs/dbraw/zinc/45/13/28/613451328.db2.gz	JZBPGSJNZIERBS-WDEREUQCSA-N	-1	0	295.364	0.688	20	30		CCEDRM
C=CC1(S(=O)(=O)[N-]C(=O)c2cccnc2)CC1	ZINC000870831063	613451865	/nfs/dbraw/zinc/45/18/65/613451865.db2.gz	OBOJNLJSOBOQLR-UHFFFAOYSA-N	-1	0	252.295	0.860	20	30		CCEDRM
C=CC1(S(=O)(=O)[N-]C(=O)c2ncc3n2CCCC3)CC1	ZINC000870840264	613452247	/nfs/dbraw/zinc/45/22/47/613452247.db2.gz	LGUUUERAVYNWBR-UHFFFAOYSA-N	-1	0	295.364	0.998	20	30		CCEDRM
C=C[C@@H](O)C(=O)N[C@@]1(C(=O)[O-])CCc2ccccc21	ZINC000908979563	613452642	/nfs/dbraw/zinc/45/26/42/613452642.db2.gz	TVDUQVANWNVTBR-RISCZKNCSA-N	-1	0	261.277	0.576	20	30		CCEDRM
C=CCC1(C(=O)NCCn2cc(C(=O)[O-])nn2)CCC1	ZINC000909818197	613456560	/nfs/dbraw/zinc/45/65/60/613456560.db2.gz	MXEDTFUEHRNWJX-UHFFFAOYSA-N	-1	0	278.312	0.839	20	30		CCEDRM
C=CCC1(NC(=O)Cn2ccc(C(=O)[O-])n2)CCOCC1	ZINC000909960574	613457483	/nfs/dbraw/zinc/45/74/83/613457483.db2.gz	QBKZMVPDXPSDRD-UHFFFAOYSA-N	-1	0	293.323	0.823	20	30		CCEDRM
C=CCCC(=O)Nc1nc(N2CCN(C(=O)[O-])CC2)n[nH]1	ZINC000823491660	613462914	/nfs/dbraw/zinc/46/29/14/613462914.db2.gz	ZVEUFYGUDGICFJ-UHFFFAOYSA-N	-1	0	294.315	0.509	20	30		CCEDRM
C=C[C@@H]1OCC[C@H]1CNC(=O)N[C@H]1C[C@@H](C(=O)[O-])C1	ZINC000874404697	613469683	/nfs/dbraw/zinc/46/96/83/613469683.db2.gz	INYVORRXRRCMEG-MMWGEVLESA-N	-1	0	268.313	0.740	20	30		CCEDRM
C=CCCC[C@@H](NS(=O)(=O)N1CC[C@@H](C)C1)C(=O)[O-]	ZINC000903059921	613471846	/nfs/dbraw/zinc/47/18/46/613471846.db2.gz	XOAITEHDESTWCC-GHMZBOCLSA-N	-1	0	290.385	0.972	20	30		CCEDRM
C=C[C@H](C)NS(=O)(=O)c1cccc(-c2nn[nH]n2)c1	ZINC000819730312	613483332	/nfs/dbraw/zinc/48/33/32/613483332.db2.gz	VODOFMLXMKGFCD-QMMMGPOBSA-N	-1	0	279.325	0.720	20	30		CCEDRM
C=C[C@H](C)O[N-]C(=O)C(=O)Nc1cc(OC)cnc1F	ZINC000861899710	613483727	/nfs/dbraw/zinc/48/37/27/613483727.db2.gz	VOOSKOFUVJKAAA-ZETCQYMHSA-N	-1	0	283.259	0.790	20	30		CCEDRM
C=C[C@H](C)O[N-]C(=O)C(=O)Nc1cnn(CCC)c1	ZINC000846153989	613483774	/nfs/dbraw/zinc/48/37/74/613483774.db2.gz	LCBWHRJZVVFKFU-VIFPVBQESA-N	-1	0	266.301	0.854	20	30		CCEDRM
C=C[C@H](C)O[N-]C(=O)CN(C)CC(=O)NC(C)C	ZINC000846542664	613484254	/nfs/dbraw/zinc/48/42/54/613484254.db2.gz	FWKIOURYOIUYTE-JTQLQIEISA-N	-1	0	257.334	0.065	20	30		CCEDRM
C=C[C@H](O)C(=O)N1Cc2ccccc2[C@H](C(=O)[O-])C1	ZINC000909424117	613495433	/nfs/dbraw/zinc/49/54/33/613495433.db2.gz	LUWRSMGBSIQTAY-NEPJUHHUSA-N	-1	0	261.277	0.744	20	30		CCEDRM
C=C[C@H](O)C(=O)[N-]OC[C@@H](C)NC(=O)OC(C)(C)C	ZINC000935161699	613496507	/nfs/dbraw/zinc/49/65/07/613496507.db2.gz	WQYQQMALAHGIOV-BDAKNGLRSA-N	-1	0	274.317	0.494	20	30		CCEDRM
C=C[C@](C)(CCOC)C(=O)N1CCO[C@](C)(C(=O)[O-])C1	ZINC000910330612	613505470	/nfs/dbraw/zinc/50/54/70/613505470.db2.gz	RVCYYBCCCOZRCO-KGLIPLIRSA-N	-1	0	285.340	0.917	20	30		CCEDRM
C=C[C@](C)(O)C(=O)NCC1(CC(=O)[O-])CCOCC1	ZINC000910120117	613507300	/nfs/dbraw/zinc/50/73/00/613507300.db2.gz	LTSZPZPAXOEXMO-LBPRGKRZSA-N	-1	0	271.313	0.311	20	30		CCEDRM
C=CCCS(=O)(=O)N1CC[C@@H](NC(=O)[O-])[C@@H](C)C1	ZINC000823500515	613580578	/nfs/dbraw/zinc/58/05/78/613580578.db2.gz	GBULBVFBAPUNIS-VHSXEESVSA-N	-1	0	276.358	0.870	20	30		CCEDRM
C=CCCOCC(=O)N1CCO[C@@](C)(C(=O)[O-])C1	ZINC000910325543	613571436	/nfs/dbraw/zinc/57/14/36/613571436.db2.gz	XFPSGURGHZBNHI-GFCCVEGCSA-N	-1	0	257.286	0.281	20	30		CCEDRM
C=CCCOCC(=O)N[C@H](C(=O)[O-])c1ccccn1	ZINC000825675775	613572992	/nfs/dbraw/zinc/57/29/92/613572992.db2.gz	FQPVUBADLVRENL-LBPRGKRZSA-N	-1	0	264.281	0.916	20	30		CCEDRM
C=CCCO[N-]C(=O)COCC(=O)NCc1cccnc1	ZINC000856031243	613576859	/nfs/dbraw/zinc/57/68/59/613576859.db2.gz	IRSYWICEEHITND-UHFFFAOYSA-N	-1	0	293.323	0.338	20	30		CCEDRM
C=CCCS(=O)(=O)N1CCC[C@@H](C#CC(=O)[O-])C1	ZINC000899926585	613580555	/nfs/dbraw/zinc/58/05/55/613580555.db2.gz	OIZIQVFJFXNOQW-NSHDSACASA-N	-1	0	271.338	0.692	20	30		CCEDRM
C=CCCS(=O)(=O)N1[C@@H](C(=O)[O-])C[C@@H]2OCC[C@@H]21	ZINC000926597908	613581215	/nfs/dbraw/zinc/58/12/15/613581215.db2.gz	YFASNNDJZFLUBV-AEJSXWLSSA-N	-1	0	275.326	0.209	20	30		CCEDRM
C=CCCS(=O)(=O)N1CC[C@H](NC(=O)[O-])[C@@H](C)C1	ZINC000823500514	613581261	/nfs/dbraw/zinc/58/12/61/613581261.db2.gz	GBULBVFBAPUNIS-UWVGGRQHSA-N	-1	0	276.358	0.870	20	30		CCEDRM
C=CCCS(=O)(=O)N[C@@H](C[C@@H]1CCCO1)C(=O)[O-]	ZINC000903029472	613581687	/nfs/dbraw/zinc/58/16/87/613581687.db2.gz	LAXKNZJBZMUKIX-UWVGGRQHSA-N	-1	0	277.342	0.504	20	30		CCEDRM
C=CCC[C@H](NC(=O)CCc1ncc[nH]1)C(=O)[O-]	ZINC000909711735	613589538	/nfs/dbraw/zinc/58/95/38/613589538.db2.gz	FKBDMMVHPGVGQN-VIFPVBQESA-N	-1	0	251.286	0.878	20	30		CCEDRM
C=CCC[C@H](NC(=O)C(C)(C)N1CCOCC1)C(=O)[O-]	ZINC000909716688	613589577	/nfs/dbraw/zinc/58/95/77/613589577.db2.gz	BJSMUOSDGNOGFE-NSHDSACASA-N	-1	0	284.356	0.633	20	30		CCEDRM
CC#CCS(=O)(=O)[N-]C(=O)C[C@@H]1CSCCS1	ZINC000810770789	613646181	/nfs/dbraw/zinc/64/61/81/613646181.db2.gz	BERZUNOPHMVHNF-SECBINFHSA-N	-1	0	293.435	0.694	20	30		CCEDRM
C=CCN(CC(=O)[O-])C(=O)[C@H](OCC)[C@@H]1CCOC1	ZINC000864134659	613643224	/nfs/dbraw/zinc/64/32/24/613643224.db2.gz	ABPAFSUQCOLCQV-ZYHUDNBSSA-N	-1	0	271.313	0.527	20	30		CCEDRM
C=CCN(CC(=O)[O-])C(=O)[C@H]1CCN(CC(F)(F)F)C1	ZINC000864135497	613643254	/nfs/dbraw/zinc/64/32/54/613643254.db2.gz	NIGNFYGRFCQUIF-VIFPVBQESA-N	-1	0	294.273	0.970	20	30		CCEDRM
C=CCN(CC(=O)[O-])C(=O)c1cn(CC=C)nn1	ZINC000844155888	613643618	/nfs/dbraw/zinc/64/36/18/613643618.db2.gz	ZKGIDFUKJZFHDE-UHFFFAOYSA-N	-1	0	250.258	0.177	20	30		CCEDRM
C=CCN(CC(=O)[O-])C(=O)[C@H]1CCn2cncc2C1	ZINC000909516919	613643657	/nfs/dbraw/zinc/64/36/57/613643657.db2.gz	TWSULQFZFRENKV-JTQLQIEISA-N	-1	0	263.297	0.545	20	30		CCEDRM
C=CCN(CC(=O)[O-])Cc1nc(CC)cc(=O)[nH]1	ZINC000846262805	613643688	/nfs/dbraw/zinc/64/36/88/613643688.db2.gz	LVHHCESPVGWYMA-UHFFFAOYSA-N	-1	0	251.286	0.817	20	30		CCEDRM
C=CCN(CC(=O)[O-])C(=O)[C@H]1CSCCS1	ZINC000909514711	613643746	/nfs/dbraw/zinc/64/37/46/613643746.db2.gz	KTFBWTBZAIKXQP-MRVPVSSYSA-N	-1	0	261.368	0.934	20	30		CCEDRM
CC#CCS(=O)(=O)[N-]C(=O)CCCCCC#N	ZINC000810772901	613645939	/nfs/dbraw/zinc/64/59/39/613645939.db2.gz	JVUFCYHDSMMOTF-UHFFFAOYSA-N	-1	0	256.327	0.930	20	30		CCEDRM
CC#CCS(=O)(=O)[N-]C(=O)C[C@@H](C)[C@H]1CCCO1	ZINC000851000746	613646240	/nfs/dbraw/zinc/64/62/40/613646240.db2.gz	YYXDKCHGLAYRBO-GHMZBOCLSA-N	-1	0	273.354	0.661	20	30		CCEDRM
CC#CCS(=O)(=O)[N-]C(=O)[C@@H]1Cc2ccc(F)cc21	ZINC000810777482	613646580	/nfs/dbraw/zinc/64/65/80/613646580.db2.gz	HFIHTAXFIUXVQA-GFCCVEGCSA-N	-1	0	281.308	0.935	20	30		CCEDRM
CC#CCS(=O)(=O)[N-]C(=O)[C@H]1CC[C@H](OC)C1	ZINC000851000188	613646983	/nfs/dbraw/zinc/64/69/83/613646983.db2.gz	QYJNHCXNOCYTND-UWVGGRQHSA-N	-1	0	259.327	0.271	20	30		CCEDRM
CC#CCS(=O)(=O)[N-]C(=O)[C@]1(C)CCCCO1	ZINC000838870501	613647024	/nfs/dbraw/zinc/64/70/24/613647024.db2.gz	AVIWNVMPSUHKQS-NSHDSACASA-N	-1	0	259.327	0.415	20	30		CCEDRM
CC#CCS(=O)(=O)[N-]C(=O)[C@H]1CC[C@H](CC)O1	ZINC000810775019	613647237	/nfs/dbraw/zinc/64/72/37/613647237.db2.gz	SRLNEQCYOIJXPP-VHSXEESVSA-N	-1	0	259.327	0.413	20	30		CCEDRM
CC#CCS(=O)(=O)[N-]C(=O)c1cc(C)n(C(C)C)n1	ZINC000835371806	613647594	/nfs/dbraw/zinc/64/75/94/613647594.db2.gz	NQDMKCCGJBCXIH-UHFFFAOYSA-N	-1	0	283.353	0.855	20	30		CCEDRM
CC#CCS(=O)(=O)[N-]C(=O)c1c(C)nn(C)c1Cl	ZINC000810774479	613647637	/nfs/dbraw/zinc/64/76/37/613647637.db2.gz	NAHXUCJLSGHLJG-UHFFFAOYSA-N	-1	0	289.744	0.465	20	30		CCEDRM
CC(N=NC1=NC(=O)C(=O)N1)[C@H](C)CCCCC(=O)[O-]	ZINC000814890422	613653946	/nfs/dbraw/zinc/65/39/46/613653946.db2.gz	UWZXSOCWESQWGG-SSDOTTSWSA-N	-1	0	282.300	0.245	20	30		CCEDRM
CC(N=Nc1ccc(F)cn1)c1cn(CC(=O)[O-])nn1	ZINC000825809481	613656999	/nfs/dbraw/zinc/65/69/99/613656999.db2.gz	XBGGIOGSFQPYAL-UHFFFAOYSA-N	-1	0	278.247	0.733	20	30		CCEDRM
C=CCNC(=O)COC(=O)c1ccc([N+](=O)[O-])[n-]1	ZINC000798896556	613848627	/nfs/dbraw/zinc/84/86/27/613848627.db2.gz	PYGURUYPLAJEGF-UHFFFAOYSA-N	-1	0	253.214	0.382	20	30		CCEDRM
C=CCNC(=O)CS(=O)(=O)Cc1ccc(C(=O)[O-])cc1	ZINC000817685751	613848830	/nfs/dbraw/zinc/84/88/30/613848830.db2.gz	CXSXZEUUOHVUBB-UHFFFAOYSA-N	-1	0	297.332	0.602	20	30		CCEDRM
C=CCNC(=O)[C@H](C#N)C(=O)[C@@H]1CC[C@@H](NC(=O)[O-])C1	ZINC000823505997	613854789	/nfs/dbraw/zinc/85/47/89/613854789.db2.gz	APWPCFGQHHXWHP-OPRDCNLKSA-N	-1	0	279.296	0.434	20	30		CCEDRM
C=CCNC(=O)C(C#N)=C([O-])c1cccc(-n2cnnn2)c1	ZINC000916917449	613854874	/nfs/dbraw/zinc/85/48/74/613854874.db2.gz	KQMMNESXZKWMBC-GFCCVEGCSA-N	-1	0	296.290	0.287	20	30		CCEDRM
C=CCOCC(=O)N1CC[C@@H](C(=O)OC)C[C@@H]1C(=O)[O-]	ZINC000833376234	613879128	/nfs/dbraw/zinc/87/91/28/613879128.db2.gz	ZFSRZNROUDXQPN-NXEZZACHSA-N	-1	0	285.296	0.054	20	30		CCEDRM
C=CCOCC(=O)N1CC[C@H](NC(=O)[O-])C[C@@H]1C	ZINC000823516298	613879158	/nfs/dbraw/zinc/87/91/58/613879158.db2.gz	FPVSJBSXELNYAD-UWVGGRQHSA-N	-1	0	256.302	0.836	20	30		CCEDRM
C=CCOCCCC(=O)[N-]S(=O)(=O)CC(F)F	ZINC000851361312	613879731	/nfs/dbraw/zinc/87/97/31/613879731.db2.gz	NZCLWPZEWPOTSH-UHFFFAOYSA-N	-1	0	271.285	0.680	20	30		CCEDRM
C=CCOCCCC(=O)[N-]S(=O)(=O)C1(C)CC1	ZINC000806026710	613879792	/nfs/dbraw/zinc/87/97/92/613879792.db2.gz	ZXLUHMIWZKRFFR-UHFFFAOYSA-N	-1	0	261.343	0.968	20	30		CCEDRM
C=CCOCCNC(=O)[C@H]1CC[C@@H](CCC(=O)[O-])O1	ZINC000872733465	613881087	/nfs/dbraw/zinc/88/10/87/613881087.db2.gz	DJWHYGQWNNLMID-WDEREUQCSA-N	-1	0	271.313	0.718	20	30		CCEDRM
C=CCOC[C@@H](NC(=O)C(C)(C)SC)C(=O)[O-]	ZINC000851607744	613881535	/nfs/dbraw/zinc/88/15/35/613881535.db2.gz	RVYUBBIRGKOYLX-MRVPVSSYSA-N	-1	0	261.343	0.900	20	30		CCEDRM
C=CCOC[C@@H](NC(=O)[C@@](C)(CC)OC)C(=O)[O-]	ZINC000909769715	613881733	/nfs/dbraw/zinc/88/17/33/613881733.db2.gz	BJZAXFJBIJDZSS-BXKDBHETSA-N	-1	0	259.302	0.574	20	30		CCEDRM
C=CCOC[C@@H](NC(=O)c1cccnc1C)C(=O)[O-]	ZINC000909772136	613881906	/nfs/dbraw/zinc/88/19/06/613881906.db2.gz	WAPLYZGDRHDQLP-LLVKDONJSA-N	-1	0	264.281	0.776	20	30		CCEDRM
C=CCOC[C@H](NC(=O)CC1(O)CCCCC1)C(=O)[O-]	ZINC000909772688	613882288	/nfs/dbraw/zinc/88/22/88/613882288.db2.gz	UXJPYXVTBJRSLM-NSHDSACASA-N	-1	0	285.340	0.844	20	30		CCEDRM
C=CCOC[C@H](NC(=O)NC[C@@H]1C=CCC1)C(=O)[O-]	ZINC000905559411	613882398	/nfs/dbraw/zinc/88/23/98/613882398.db2.gz	LLLOVQZHQPSOAJ-MNOVXSKESA-N	-1	0	268.313	0.908	20	30		CCEDRM
C=CCOC[C@H](NC(=O)N[C@@H]1CSC[C@H]1C)C(=O)[O-]	ZINC000929036144	613882453	/nfs/dbraw/zinc/88/24/53/613882453.db2.gz	CUZQICGXVGYLPA-KXUCPTDWSA-N	-1	0	288.369	0.693	20	30		CCEDRM
C=CCO[N-]C(=O)C(=O)Nc1ccc2c(c1)CCOC2	ZINC000850466339	613882999	/nfs/dbraw/zinc/88/29/99/613882999.db2.gz	PDPNDJBKTXWPMI-UHFFFAOYSA-N	-1	0	276.292	0.932	20	30		CCEDRM
CC(C)NC(=O)CN[C@@H](C(=O)[O-])c1cccc(C#N)c1	ZINC000826971999	613920126	/nfs/dbraw/zinc/92/01/26/613920126.db2.gz	VFYMCZGGGOXYRK-CYBMUJFWSA-N	-1	0	275.308	0.798	20	30		CCEDRM
CC(C)OCCCNC(=O)C(C#N)=C([O-])c1cccnn1	ZINC000860463016	614012971	/nfs/dbraw/zinc/01/29/71/614012971.db2.gz	KFTBCQMXLCQKMD-LLVKDONJSA-N	-1	0	290.323	0.730	20	30		CCEDRM
CC(C)(C)[C@H](NC(=O)[O-])C(=O)N1CCN(CC#N)CC1	ZINC000823843918	614034533	/nfs/dbraw/zinc/03/45/33/614034533.db2.gz	VTSQDOWAPOCYNO-SNVBAGLBSA-N	-1	0	282.344	0.336	20	30		CCEDRM
CC(C)(C)[C@H](NC(=O)[O-])C(=O)N1CCO[C@H](C#N)C1	ZINC000823843865	614034598	/nfs/dbraw/zinc/03/45/98/614034598.db2.gz	TYLFSHMQNUPUCB-RKDXNWHRSA-N	-1	0	269.301	0.420	20	30		CCEDRM
CC(C)(C)n1ccc(C(=O)[N-]S(=O)(=O)CCC#N)n1	ZINC000847707489	614062588	/nfs/dbraw/zinc/06/25/88/614062588.db2.gz	KGQZKMPHUSMUAF-UHFFFAOYSA-N	-1	0	284.341	0.611	20	30		CCEDRM
CC(C)(CC(=O)[O-])CC(=O)OCC(=O)NCCC#N	ZINC000833456296	614079059	/nfs/dbraw/zinc/07/90/59/614079059.db2.gz	JNUFSKHEUBRNAT-UHFFFAOYSA-N	-1	0	270.285	0.450	20	30		CCEDRM
CC(C)[C@@H](C)C(=O)N1CCN(C(=O)[O-])C[C@H]1C#N	ZINC000824063653	614083635	/nfs/dbraw/zinc/08/36/35/614083635.db2.gz	DYWYALIBYQPIQS-NXEZZACHSA-N	-1	0	253.302	0.993	20	30		CCEDRM
CC(C)[C@@H](C)NC(=O)COC(=O)[C@](C)(C#N)CC(=O)[O-]	ZINC000819954933	614091002	/nfs/dbraw/zinc/09/10/02/614091002.db2.gz	DHVIRLFZJMQIQU-RNCFNFMXSA-N	-1	0	284.312	0.695	20	30		CCEDRM
CC(C)CNC(=O)COC(=O)[C@](C)(C#N)CC(=O)[O-]	ZINC000819980159	614138220	/nfs/dbraw/zinc/13/82/20/614138220.db2.gz	KWCMQCJLCJCHFG-LBPRGKRZSA-N	-1	0	270.285	0.306	20	30		CCEDRM
CC(C)([N-]C(=O)C(F)(F)F)C(=O)N1CC(CC#N)C1	ZINC000855473161	614163890	/nfs/dbraw/zinc/16/38/90/614163890.db2.gz	AMOLIDCXXGGTNB-UHFFFAOYSA-N	-1	0	277.246	0.816	20	30		CCEDRM
CC(C)([N-]C(=O)C(F)(F)F)C(=O)OCCOCCC#N	ZINC000815238518	614164444	/nfs/dbraw/zinc/16/44/44/614164444.db2.gz	BRBSJFNSBNKPFI-UHFFFAOYSA-N	-1	0	296.245	0.917	20	30		CCEDRM
CC(C)C[C@@H](C#N)NC(=O)c1cc(-c2nn[nH]n2)cn1C	ZINC000820050716	614179811	/nfs/dbraw/zinc/17/98/11/614179811.db2.gz	FNTDGVKUADBMNF-JTQLQIEISA-N	-1	0	287.327	0.873	20	30		CCEDRM
CC(C)C[C@@H](C#N)NC(=O)c1c[nH]c(-c2nn[nH]n2)c1	ZINC000824229473	614179865	/nfs/dbraw/zinc/17/98/65/614179865.db2.gz	RCLAGHPFIDGFMD-VIFPVBQESA-N	-1	0	273.300	0.863	20	30		CCEDRM
CC(C)Cn1[n-]c(CC(=O)NC2=NO[C@H](C)C2)cc1=O	ZINC000935136468	614235707	/nfs/dbraw/zinc/23/57/07/614235707.db2.gz	FFHPEOCISFMZTD-SECBINFHSA-N	-1	0	280.328	0.613	20	30		CCEDRM
CC(=O)[C@@H]1C[C@H](C(=O)[N-]S(=O)(=O)CCC#N)C1(C)C	ZINC000821582600	614237493	/nfs/dbraw/zinc/23/74/93/614237493.db2.gz	RGBPLSVQTWSWCX-VHSXEESVSA-N	-1	0	286.353	0.597	20	30		CCEDRM
CC(C)[C@](C)(C#N)NC(=O)CN1CCC[C@@H]1CNC(=O)[O-]	ZINC000824057992	614285759	/nfs/dbraw/zinc/28/57/59/614285759.db2.gz	UOTKMPZCAOLUCX-RISCZKNCSA-N	-1	0	296.371	0.773	20	30		CCEDRM
CC(C)(C#N)CNC(=O)N1CCO[C@@H](C(=O)[O-])C1	ZINC000819901797	614285829	/nfs/dbraw/zinc/28/58/29/614285829.db2.gz	TXSRTMNHSCIIJF-MRVPVSSYSA-N	-1	0	255.274	0.031	20	30		CCEDRM
CC(C)[C@](C)(C#N)NC(=O)C[N@@H+]1CC[C@](C)(C(=O)[O-])C1	ZINC000826677795	614285842	/nfs/dbraw/zinc/28/58/42/614285842.db2.gz	ZIDYJANFTVMMAD-KBPBESRZSA-N	-1	0	281.356	0.837	20	30		CCEDRM
CC(C)[C@](C)(C#N)NC(=O)[C@@H](C)N1CC[C@@](F)(C(=O)[O-])C1	ZINC000825995472	614286309	/nfs/dbraw/zinc/28/63/09/614286309.db2.gz	QGOIILWPOFLOGQ-SWHYSGLUSA-N	-1	0	299.346	0.928	20	30		CCEDRM
CC(C)(C#N)CS(=O)(=O)N1CCC[C@@H]1C(=O)[O-]	ZINC000905985837	614286436	/nfs/dbraw/zinc/28/64/36/614286436.db2.gz	NCTJPJPFTDVZEU-MRVPVSSYSA-N	-1	0	260.315	0.415	20	30		CCEDRM
CC(C)N(CC(F)(F)F)C(=O)CN(CC#N)CC(=O)[O-]	ZINC000826940044	614288293	/nfs/dbraw/zinc/28/82/93/614288293.db2.gz	BULLBTUFNZDTSY-UHFFFAOYSA-N	-1	0	295.261	0.696	20	30		CCEDRM
CC(Cl)(Cl)C(=O)[N-]S(=O)(=O)CC1(C#N)CC1	ZINC000793197059	614383167	/nfs/dbraw/zinc/38/31/67/614383167.db2.gz	NAPXOMVUEHERGL-UHFFFAOYSA-N	-1	0	285.152	0.930	20	30		CCEDRM
CCC[C@](C)(NC(=O)[O-])C(=O)N1CCN(CC#N)CC1	ZINC000826714134	614448080	/nfs/dbraw/zinc/44/80/80/614448080.db2.gz	XVJXFSFAVSBLGW-ZDUSSCGKSA-N	-1	0	282.344	0.481	20	30		CCEDRM
CCCC[C@@H](ON=C(C)C)C(=O)NCC(=O)[N-]OC	ZINC000832758293	614479399	/nfs/dbraw/zinc/47/93/99/614479399.db2.gz	YAIQSUOKPLBDIP-SNVBAGLBSA-N	-1	0	273.333	0.751	20	30		CCEDRM
CCCC[C@H](ON=C(C)C)C(=O)Nn1c(=O)[n-][nH]c1=O	ZINC000816734125	614488184	/nfs/dbraw/zinc/48/81/84/614488184.db2.gz	ZWBOSQCOACZGAI-QMMMGPOBSA-N	-1	0	285.304	0.731	20	30		CCEDRM
CCC(O)(CC)CNC(=O)[C@](C)(C#N)CC(=O)[O-]	ZINC000820285051	614591270	/nfs/dbraw/zinc/59/12/70/614591270.db2.gz	NNHSBKPASWITQR-NSHDSACASA-N	-1	0	256.302	0.658	20	30		CCEDRM
C[C@](C#N)(CC(=O)[O-])C(=O)NCCN1CCOCC1(C)C	ZINC000819832226	614719073	/nfs/dbraw/zinc/71/90/73/614719073.db2.gz	AKMNHEJXUPAULG-CQSZACIVSA-N	-1	0	297.355	0.218	20	30		CCEDRM
CC1(C)OC[C@H]2C[C@]21C(=O)[N-]S(=O)(=O)CC1(C#N)CC1	ZINC000850940168	614840862	/nfs/dbraw/zinc/84/08/62/614840862.db2.gz	KFHFNYKRWFTQSA-NOZJJQNGSA-N	-1	0	298.364	0.551	20	30		CCEDRM
CCC(=O)N[C@@H](C)C(=O)[N-]Oc1cccc(C#N)c1	ZINC000870693229	614856134	/nfs/dbraw/zinc/85/61/34/614856134.db2.gz	ZGQHHOVHSHEYAB-VIFPVBQESA-N	-1	0	261.281	0.883	20	30		CCEDRM
CCCCCCN(O)C(=O)c1cnc([O-])n(C)c1=O	ZINC000904205061	614907988	/nfs/dbraw/zinc/90/79/88/614907988.db2.gz	YYPPLJOWEHEWPM-UHFFFAOYSA-N	-1	0	269.301	0.898	20	30		CCEDRM
CCN(CC#N)C(=O)[C@H]1[C@@H](C)OC(C)(C)N1C(=O)[O-]	ZINC000833856643	614923211	/nfs/dbraw/zinc/92/32/11/614923211.db2.gz	OXXIBCHTADFPRE-RKDXNWHRSA-N	-1	0	269.301	0.862	20	30		CCEDRM
CCCCCNC(=O)C(C#N)=C([O-])c1cc2n(n1)CCO2	ZINC000810528079	614923350	/nfs/dbraw/zinc/92/33/50/614923350.db2.gz	PXPCBIQKXYXFRW-JTQLQIEISA-N	-1	0	290.323	0.904	20	30		CCEDRM
CCN(CC#N)S(=O)(=O)c1cc(C(=O)[O-])c(C)o1	ZINC000829619095	614923857	/nfs/dbraw/zinc/92/38/57/614923857.db2.gz	RTIPEBHRXXCGFN-UHFFFAOYSA-N	-1	0	272.282	0.820	20	30		CCEDRM
CCCO[N-]C(=O)C/N=C1/NS(=O)(=O)c2ccccc21	ZINC000844081030	614943718	/nfs/dbraw/zinc/94/37/18/614943718.db2.gz	STIJTFACANSKCD-UHFFFAOYSA-N	-1	0	297.336	0.183	20	30		CCEDRM
CCCSCC(=O)N1CCN(C(=O)[O-])C[C@H]1C#N	ZINC000826948555	614969431	/nfs/dbraw/zinc/96/94/31/614969431.db2.gz	FDQVKNBKPVPOEJ-SECBINFHSA-N	-1	0	271.342	0.844	20	30		CCEDRM
CCOC(=O)c1ccc(CN[C@H]2CCCN(O)C2=O)[nH]1	ZINC000895157471	615182467	/nfs/dbraw/zinc/18/24/67/615182467.db2.gz	QISVKHASVVOXHA-JTQLQIEISA-N	-1	0	281.312	0.661	20	30		CCEDRM
CCOC(C)(C)C(=O)[N-]S(=O)(=O)CCCC#N	ZINC000870269321	615197137	/nfs/dbraw/zinc/19/71/37/615197137.db2.gz	CJLKUKMETSFKRQ-UHFFFAOYSA-N	-1	0	262.331	0.551	20	30		CCEDRM
CC[C@@H](C#N)OC(=O)c1cc(-c2nn[nH]n2)cn1C	ZINC000820842420	615366727	/nfs/dbraw/zinc/36/67/27/615366727.db2.gz	MOZGMEARPHUAHX-QMMMGPOBSA-N	-1	0	260.257	0.664	20	30		CCEDRM
CC[C@@H](C#N)OC(=O)c1cc(S(=O)(=O)NC)oc1C	ZINC000122687841	615366752	/nfs/dbraw/zinc/36/67/52/615366752.db2.gz	YVUVQADPSNLQBV-QMMMGPOBSA-N	-1	0	286.309	0.955	20	30		CCEDRM
CCO[N-]C(=O)CNC(=O)Nc1cccc(C#N)c1	ZINC000844485917	615367702	/nfs/dbraw/zinc/36/77/02/615367702.db2.gz	RHUGPTXZLWAXLN-UHFFFAOYSA-N	-1	0	262.269	0.747	20	30		CCEDRM
CCO[N-]C(=O)CNC(=O)c1cc(C)c(C#N)c(C)c1	ZINC000911897730	615370759	/nfs/dbraw/zinc/37/07/59/615370759.db2.gz	HPXUCEXZCSVYAK-UHFFFAOYSA-N	-1	0	275.308	0.973	20	30		CCEDRM
CCO[N-]C(=O)CNS(=O)(=O)c1cc(C#N)ccc1C	ZINC000846004143	615375585	/nfs/dbraw/zinc/37/55/85/615375585.db2.gz	ZUJPDRHTROSTKE-UHFFFAOYSA-N	-1	0	297.336	0.213	20	30		CCEDRM
CCO[N-]C(=O)CN[C@@H](C(=O)OC)c1cccc(C#N)c1	ZINC000844632385	615376054	/nfs/dbraw/zinc/37/60/54/615376054.db2.gz	NQVLXWWSXVBUGY-CYBMUJFWSA-N	-1	0	291.307	0.430	20	30		CCEDRM
CCO[N-]C(=O)CNc1ccc([N+](=O)[O-])cc1C#N	ZINC000845713887	615376502	/nfs/dbraw/zinc/37/65/02/615376502.db2.gz	CFLRJQXKOINCAI-UHFFFAOYSA-N	-1	0	264.241	0.946	20	30		CCEDRM
CC[C@@H](CC#N)NS(=O)(=O)N=S1(=O)CCCC1	ZINC000867108196	615470652	/nfs/dbraw/zinc/47/06/52/615470652.db2.gz	JBBXBVARWXVMNP-VIFPVBQESA-N	-1	0	279.387	0.775	20	30		CCEDRM
CC[C@@H](CC#N)NS(=O)(=O)N=[S@](C)(=O)CC	ZINC000867108303	615470758	/nfs/dbraw/zinc/47/07/58/615470758.db2.gz	MBNRUCZIICFAOK-VXJOIVPMSA-N	-1	0	267.376	0.631	20	30		CCEDRM
CC[C@@H](CNS(=O)(=O)N(CC)C[C@H](C)C#N)C(=O)[O-]	ZINC000844785667	615484736	/nfs/dbraw/zinc/48/47/36/615484736.db2.gz	NNJNVTVFGMEWFR-ZJUUUORDSA-N	-1	0	291.373	0.413	20	30		CCEDRM
CCOc1ccc(NC(=O)CN(CC#N)CC(=O)[O-])cc1	ZINC000830080243	615511700	/nfs/dbraw/zinc/51/17/00/615511700.db2.gz	GVFABKJFIPIALA-UHFFFAOYSA-N	-1	0	291.307	0.934	20	30		CCEDRM
CC[C@@H](NN=Cc1cnc2n1CCOC2)C(=O)[O-]	ZINC000905470442	615536391	/nfs/dbraw/zinc/53/63/91/615536391.db2.gz	QUMDUUPEKWETOH-SECBINFHSA-N	-1	0	252.274	0.200	20	30		CCEDRM
CCn1nc(C)c(C([O-])=C(C#N)c2ccncn2)n1	ZINC000816019069	615650586	/nfs/dbraw/zinc/65/05/86/615650586.db2.gz	YPYZFHAZCLLTCH-VIFPVBQESA-N	-1	0	256.269	0.887	20	30		CCEDRM
CC[C@H](C)S(=O)(=O)[N-]C(=O)CC1(C#N)CCOCC1	ZINC000850941069	615682031	/nfs/dbraw/zinc/68/20/31/615682031.db2.gz	YVOKVHQJPSUDIA-JTQLQIEISA-N	-1	0	288.369	0.941	20	30		CCEDRM
CCn1ncc(C([O-])=C(C#N)C(=O)NC2CCCC2)n1	ZINC000815913412	615694496	/nfs/dbraw/zinc/69/44/96/615694496.db2.gz	RCOQMPDRRJZGGC-JTQLQIEISA-N	-1	0	275.312	0.679	20	30		CCEDRM
CCc1nc(C#N)cc(N2C[C@@H]3COC[C@]3(C(=O)[O-])C2)n1	ZINC000900963463	615724660	/nfs/dbraw/zinc/72/46/60/615724660.db2.gz	XYEMTCOIYPDXNA-YMTOWFKASA-N	-1	0	288.307	0.448	20	30		CCEDRM
CCc1nccn1[C@@H](C)CC(=O)N[C@H]1CCCN(O)C1=O	ZINC000848130670	615778575	/nfs/dbraw/zinc/77/85/75/615778575.db2.gz	ONYCZFLVQBPLDB-QWRGUYRKSA-N	-1	0	294.355	0.893	20	30		CCEDRM
CC[C@H](NC(=O)[O-])C(=O)OC1CCN(CC#N)CC1	ZINC000827539167	615805360	/nfs/dbraw/zinc/80/53/60/615805360.db2.gz	NPAITUDUUPWSFM-JTQLQIEISA-N	-1	0	269.301	0.564	20	30		CCEDRM
CC[C@H](NN=C1C(=O)Nc2c1ccc(O)c2F)C(=O)[O-]	ZINC000841642345	615819839	/nfs/dbraw/zinc/81/98/39/615819839.db2.gz	OEDQGHUNHLQRPT-LURJTMIESA-N	-1	0	281.243	0.640	20	30		CCEDRM
CC[C@H](NN=C1CCCc2c1ccc(=O)n2C)C(=O)[O-]	ZINC000814937762	615819932	/nfs/dbraw/zinc/81/99/32/615819932.db2.gz	PANJPVSWFQNOIZ-JTQLQIEISA-N	-1	0	277.324	0.879	20	30		CCEDRM
CCc1noc(CCCC(=O)N[C@H]2CCCN(O)C2=O)n1	ZINC000848138051	615836691	/nfs/dbraw/zinc/83/66/91/615836691.db2.gz	JLOXTORWWFDDPT-VIFPVBQESA-N	-1	0	296.327	0.451	20	30		CCEDRM
CN(C(=O)c1ccc(C#N)cn1)[C@H]1CCN(C(=O)[O-])C1	ZINC000827933497	615900928	/nfs/dbraw/zinc/90/09/28/615900928.db2.gz	YEWUMBXOCFXBKX-JTQLQIEISA-N	-1	0	274.280	0.778	20	30		CCEDRM
CCn1[n-]nnc1=NC(=O)N(CCC#N)CCC(C)C	ZINC000888334956	615910662	/nfs/dbraw/zinc/91/06/62/615910662.db2.gz	VWJNQEJUWXBCSA-UHFFFAOYSA-N	-1	0	279.348	0.909	20	30		CCEDRM
CCn1cc(C([O-])=C(C#N)C(=O)NCCCOC)c(C)n1	ZINC000860461856	615962391	/nfs/dbraw/zinc/96/23/91/615962391.db2.gz	NQXKQRVBLBDBLW-NSHDSACASA-N	-1	0	292.339	0.687	20	30		CCEDRM
CC[C@]1(C)NC(=O)N(N=Cc2c[nH]c(C(=O)[O-])c2)C1=O	ZINC000814746130	615991706	/nfs/dbraw/zinc/99/17/06/615991706.db2.gz	QPXSVGQDMHXFJT-LBPRGKRZSA-N	-1	0	278.268	0.767	20	30		CCEDRM
CC[S@](C)(=O)=NS(=O)(=O)[N-]CC1(C#N)CCC1	ZINC000867415364	616020132	/nfs/dbraw/zinc/02/01/32/616020132.db2.gz	DKXISESNJFWEMS-INIZCTEOSA-N	-1	0	279.387	0.632	20	30		CCEDRM
CN(CCC(=O)[O-])C(=O)NCCNc1ncccc1C#N	ZINC000818432215	616068883	/nfs/dbraw/zinc/06/88/83/616068883.db2.gz	IHVYITKOZIRBTJ-UHFFFAOYSA-N	-1	0	291.311	0.481	20	30		CCEDRM
CN(CCN(C)S(=O)(=O)CCCCC#N)C(=O)[O-]	ZINC000833873944	616084061	/nfs/dbraw/zinc/08/40/61/616084061.db2.gz	RVGDTWGXDVIKCT-UHFFFAOYSA-N	-1	0	277.346	0.552	20	30		CCEDRM
CN(CCN(C)S(=O)(=O)CCCC#N)C(=O)[O-]	ZINC000833873828	616084176	/nfs/dbraw/zinc/08/41/76/616084176.db2.gz	MHYYMVDLUVBOIG-UHFFFAOYSA-N	-1	0	263.319	0.162	20	30		CCEDRM
CN(Cc1ccccc1)C(=O)C(C#N)=C([O-])c1cnnn1C	ZINC000798859302	616169814	/nfs/dbraw/zinc/16/98/14/616169814.db2.gz	GJJFLZHAZJOUDJ-GFCCVEGCSA-N	-1	0	297.318	0.796	20	30		CCEDRM
CN1CCN(N=Cc2cc([N+](=O)[O-])ccc2[O-])CC1	ZINC000916248279	616246276	/nfs/dbraw/zinc/24/62/76/616246276.db2.gz	XGGKTQNUSXBTLO-UHFFFAOYSA-N	-1	0	264.285	0.882	20	30		CCEDRM
CN1CCN([C@@H](C(=O)[O-])c2cccc(C#N)c2)CC1=O	ZINC000830949440	616246701	/nfs/dbraw/zinc/24/67/01/616246701.db2.gz	FAIVYCVIPVGCKX-CYBMUJFWSA-N	-1	0	273.292	0.458	20	30		CCEDRM
COC(=O)/C(C)=C\COC(=O)[C@](C)(C#N)CC(=O)[O-]	ZINC000820653357	616306264	/nfs/dbraw/zinc/30/62/64/616306264.db2.gz	FSUHRLMJEJJJST-LDJOOVGUSA-N	-1	0	269.253	0.653	20	30		CCEDRM
COC1(C(=O)[N-]S(=O)(=O)CC2(C#N)CCCC2)CC1	ZINC000842757477	616424351	/nfs/dbraw/zinc/42/43/51/616424351.db2.gz	ZPRKYNZCVJNCEI-UHFFFAOYSA-N	-1	0	286.353	0.695	20	30		CCEDRM
COC1(C(=O)[N-]S(=O)(=O)c2cc(C#N)ccc2C)CC1	ZINC000842717759	616425509	/nfs/dbraw/zinc/42/55/09/616425509.db2.gz	OUDSHQWHTPIVLR-UHFFFAOYSA-N	-1	0	294.332	0.851	20	30		CCEDRM
COCCNC(=O)[C@@H](C#N)C(=O)CC1(NC(=O)[O-])CCC1	ZINC000828992477	616491006	/nfs/dbraw/zinc/49/10/06/616491006.db2.gz	PIKLINSLSBAWPD-VIFPVBQESA-N	-1	0	297.311	0.038	20	30		CCEDRM
COCCNC(=O)C(C#N)=C([O-])c1ccc([N+](=O)[O-])n1C	ZINC000916890652	616491938	/nfs/dbraw/zinc/49/19/38/616491938.db2.gz	KDQJGKXKRKXMGQ-QMMMGPOBSA-N	-1	0	294.267	0.018	20	30		CCEDRM
COCCNC(=O)C(C#N)=C([O-])c1ccc(OC)nc1	ZINC000916892907	616492053	/nfs/dbraw/zinc/49/20/53/616492053.db2.gz	SEVIWDIYESAISV-JTQLQIEISA-N	-1	0	277.280	0.175	20	30		CCEDRM
COCCNC(=O)C(C#N)=C([O-])c1ccnc2ccncc21	ZINC000810529409	616492830	/nfs/dbraw/zinc/49/28/30/616492830.db2.gz	GCFNAFCFRYKYMY-NSHDSACASA-N	-1	0	298.302	0.715	20	30		CCEDRM
COCCNC(=O)C(C#N)=C([O-])c1ccnn1CC(C)C	ZINC000842684118	616492839	/nfs/dbraw/zinc/49/28/39/616492839.db2.gz	IDXBFCKSPKMWQZ-NSHDSACASA-N	-1	0	292.339	0.624	20	30		CCEDRM
COCCNC(=O)C(C#N)=C([O-])c1ncn(C(C)(C)C)n1	ZINC000813059880	616496568	/nfs/dbraw/zinc/49/65/68/616496568.db2.gz	KDQBIGWFRDXDBO-SECBINFHSA-N	-1	0	293.327	0.118	20	30		CCEDRM
COC(=O)CN(CC#N)Cc1cc(C(=O)[O-])oc1C	ZINC000831165125	616588487	/nfs/dbraw/zinc/58/84/87/616588487.db2.gz	YHHAXXKZYMUSDH-UHFFFAOYSA-N	-1	0	266.253	0.785	20	30		CCEDRM
CNC(=O)[C@@H](C#N)C(=O)CC1(NC(=O)[O-])CCC1	ZINC000828521162	616776112	/nfs/dbraw/zinc/77/61/12/616776112.db2.gz	VBBJLPLSWZJOCI-ZETCQYMHSA-N	-1	0	253.258	0.022	20	30		CCEDRM
CNC(=O)C(C#N)=C([O-])c1ccc(NC(N)=O)cc1	ZINC000917003053	616777194	/nfs/dbraw/zinc/77/71/94/616777194.db2.gz	YCZCDICEHRCVAE-VIFPVBQESA-N	-1	0	260.253	0.246	20	30		CCEDRM
COC[C@@H](C)NC(=S)NN=Cc1c[nH]c(C(=O)[O-])c1	ZINC000814733273	616827542	/nfs/dbraw/zinc/82/75/42/616827542.db2.gz	OJYYEVIFJLWEBA-SSDOTTSWSA-N	-1	0	284.341	0.546	20	30		CCEDRM
CNC(=O)C(C#N)=C([O-])c1cc(C(=O)OC)oc1C	ZINC000850763148	616838835	/nfs/dbraw/zinc/83/88/35/616838835.db2.gz	AKWKYYPEICANIN-MRVPVSSYSA-N	-1	0	264.237	0.443	20	30		CCEDRM
CNC(=O)C(C#N)=C([O-])c1ccnn1CC1CCC1	ZINC000870155630	616839276	/nfs/dbraw/zinc/83/92/76/616839276.db2.gz	XPQUXQNQQGJDLU-SNVBAGLBSA-N	-1	0	260.297	0.752	20	30		CCEDRM
COCCCNC(=O)C(C#N)=C([O-])c1c[nH]cc1C	ZINC000916870773	616898699	/nfs/dbraw/zinc/89/86/99/616898699.db2.gz	LZOKMVCMMWLWAQ-JTQLQIEISA-N	-1	0	263.297	0.798	20	30		CCEDRM
COCCCNC(=S)NN=Cc1cc(C(=O)[O-])c(C)[nH]1	ZINC000800806846	616905887	/nfs/dbraw/zinc/90/58/87/616905887.db2.gz	MLZOILGHQFLCGS-UHFFFAOYSA-N	-1	0	298.368	0.856	20	30		CCEDRM
COC(=O)c1ccc(O)c(C=NN2CCC[C@@H]2CO)c1	ZINC000841662482	616918467	/nfs/dbraw/zinc/91/84/67/616918467.db2.gz	XEVJMGLQIIMYNU-GFCCVEGCSA-N	-1	0	278.308	0.969	20	30		CCEDRM
COCCCO[N-]C(=O)C(=O)Nc1cc(C)c(C#N)cn1	ZINC000847522370	616921159	/nfs/dbraw/zinc/92/11/59/616921159.db2.gz	KEAKIWMTMSWMRW-UHFFFAOYSA-N	-1	0	292.295	0.285	20	30		CCEDRM
COC(=O)c1cccc(CN(CC#N)CC(=O)[O-])c1	ZINC000831448877	616926537	/nfs/dbraw/zinc/92/65/37/616926537.db2.gz	JKNUUAFTVOCJMP-UHFFFAOYSA-N	-1	0	262.265	0.883	20	30		CCEDRM
COC(=O)c1ccccc1CN(CC#N)CC(=O)[O-]	ZINC000833717743	616935749	/nfs/dbraw/zinc/93/57/49/616935749.db2.gz	VLULQVYPNPYBRR-UHFFFAOYSA-N	-1	0	262.265	0.883	20	30		CCEDRM
COCCN(CC(=O)[O-])C(=O)Cc1cccc(C#N)c1	ZINC000818536926	616980883	/nfs/dbraw/zinc/98/08/83/616980883.db2.gz	DERVQFVMKZKVLX-UHFFFAOYSA-N	-1	0	276.292	0.660	20	30		CCEDRM
COC[C@@](C)(CC(=O)[O-])NC(=O)c1ccc(C#N)cn1	ZINC000831563638	617013111	/nfs/dbraw/zinc/01/31/11/617013111.db2.gz	QPGNGSMQCMBVNG-CYBMUJFWSA-N	-1	0	277.280	0.563	20	30		CCEDRM
CO[N-]C(=O)CNC(=O)[C@@H]1C[C@H]1c1cccc(C#N)c1	ZINC000832749248	617115542	/nfs/dbraw/zinc/11/55/42/617115542.db2.gz	QWTIXJFOYBLJHG-NWDGAFQWSA-N	-1	0	273.292	0.456	20	30		CCEDRM
CO[C@@H](C)CS(=O)(=O)[N-]c1nn(C)c(C)c1C#N	ZINC000886412902	617159825	/nfs/dbraw/zinc/15/98/25/617159825.db2.gz	WLAXUSPVFDZVSB-ZETCQYMHSA-N	-1	0	272.330	0.377	20	30		CCEDRM
CO[C@@H](C)CS(=O)(=O)[N-]c1c(C#N)c(C)nn1C	ZINC000903173742	617159848	/nfs/dbraw/zinc/15/98/48/617159848.db2.gz	VFXSFGGDQJQLLS-ZETCQYMHSA-N	-1	0	272.330	0.377	20	30		CCEDRM
CC(C)c1cc(C(=O)[N-]S(=O)(=O)CCCC#N)[nH]n1	ZINC000181260461	625369661	/nfs/dbraw/zinc/36/96/61/625369661.db2.gz	WWFPFFPLZWYZGH-UHFFFAOYSA-N	-1	0	284.341	0.896	20	30		CCEDRM
N#CCCCS(=O)(=O)[N-]C(=O)COCc1ccccc1	ZINC000181276002	625370043	/nfs/dbraw/zinc/37/00/43/625370043.db2.gz	VEXOHMYHIKVBQA-UHFFFAOYSA-N	-1	0	296.348	0.953	20	30		CCEDRM
CC[C@H](CNS(=O)(=O)c1cnc(C)c(C#N)c1)C(=O)[O-]	ZINC000312438912	625431112	/nfs/dbraw/zinc/43/11/12/625431112.db2.gz	SUHGGXBOYZTQBX-SECBINFHSA-N	-1	0	297.336	0.651	20	30		CCEDRM
CN1CCO[C@@H](C(=O)Nc2cc(C#N)ccc2[O-])C1	ZINC000085551910	623554051	/nfs/dbraw/zinc/55/40/51/623554051.db2.gz	NTKHUMSFOUMJQB-GFCCVEGCSA-N	-1	0	261.281	0.533	20	30		CCEDRM
Cc1nc(C[N-]S(=O)(=O)c2cccc(F)c2C#N)no1	ZINC000122153163	623634168	/nfs/dbraw/zinc/63/41/68/623634168.db2.gz	KDPOFYVNHWQUFO-UHFFFAOYSA-N	-1	0	296.283	0.867	20	30		CCEDRM
Cc1[nH]nc(C(=O)N2CC3(C2)CCCN(CC#N)C3)c1[O-]	ZINC000981720166	631310535	/nfs/dbraw/zinc/31/05/35/631310535.db2.gz	PDGUBLRUAUPVNU-UHFFFAOYSA-N	-1	0	289.339	0.485	20	30		CCEDRM
Cc1n[nH]c(C(=O)N[C@]23CCC[C@H]2N(CC#N)CC3)c1[O-]	ZINC000990264356	633499242	/nfs/dbraw/zinc/49/92/42/633499242.db2.gz	GIHUPBWUYHFQMI-YGRLFVJLSA-N	-1	0	289.339	0.674	20	30		CCEDRM
O=C([O-])C#C[C@@H]1CCCN(S(=O)(=O)c2ccoc2)C1	ZINC000899925474	633923279	/nfs/dbraw/zinc/92/32/79/633923279.db2.gz	DUWFMKBJLHSDHZ-JTQLQIEISA-N	-1	0	283.305	0.768	20	30		CCEDRM
Cc1ccc(C=NN[C@@H]2CCS(=O)(=O)C2)cc1C(=O)[O-]	ZINC000901119966	634190203	/nfs/dbraw/zinc/19/02/03/634190203.db2.gz	RHNCLCLNFKADKN-LLVKDONJSA-N	-1	0	296.348	0.804	20	30		CCEDRM
N#Cc1c[n-]c(=O)n(C[C@@H]2CCCC3(CCC3)O2)c1=O	ZINC000901567052	634260578	/nfs/dbraw/zinc/26/05/78/634260578.db2.gz	XPRLLLIGPAIHAU-NSHDSACASA-N	-1	0	275.308	0.900	20	30		CCEDRM
C[C@]1(C(=O)[O-])CCCN1C(=O)Cc1ccc(C#N)nc1	ZINC000902113495	634314888	/nfs/dbraw/zinc/31/48/88/634314888.db2.gz	OZMUADTWPNJYGT-CQSZACIVSA-N	-1	0	273.292	0.961	20	30		CCEDRM
C[C@@H](CN(C)S(=O)(=O)CC(C)(C)C#N)C(=O)[O-]	ZINC000905991151	634944935	/nfs/dbraw/zinc/94/49/35/634944935.db2.gz	ZYKTVGPLTICNPE-QMMMGPOBSA-N	-1	0	262.331	0.518	20	30		CCEDRM
O=C([O-])CCc1ccccc1C(=O)NCC#CCO	ZINC000911401988	636254719	/nfs/dbraw/zinc/25/47/19/636254719.db2.gz	SSHSDUQUPYFTTD-UHFFFAOYSA-N	-1	0	261.277	0.429	20	30		CCEDRM
O=C(C#Cc1cccs1)N1CCOC[C@H]1c1nnn[n-]1	ZINC000913498938	636831083	/nfs/dbraw/zinc/83/10/83/636831083.db2.gz	RURFFIWJONCKQM-JTQLQIEISA-N	-1	0	289.320	0.213	20	30		CCEDRM
CCO[C@@H](C)C(=O)[N-]S(=O)(=O)Cc1cccc(C#N)c1	ZINC000171499951	637134021	/nfs/dbraw/zinc/13/40/21/637134021.db2.gz	YBPPQLBXZPFWBB-JTQLQIEISA-N	-1	0	296.348	0.929	20	30		CCEDRM
C[C@@H](CC#N)NC(=O)c1n[n-]c2ccccc2c1=O	ZINC000171867944	637149942	/nfs/dbraw/zinc/14/99/42/637149942.db2.gz	ZKVZUCUXFUEGDR-QMMMGPOBSA-N	-1	0	256.265	0.955	20	30		CCEDRM
C#C[C@@H](C)OC(=O)Cc1c(C)nc2cc[n-]n2c1=O	ZINC000174467785	637260265	/nfs/dbraw/zinc/26/02/65/637260265.db2.gz	GKDCUHQYDXZDTN-MRVPVSSYSA-N	-1	0	259.265	0.438	20	30		CCEDRM
CC(C)C[C@H](NS(=O)(=O)c1cccnc1C#N)C(=O)[O-]	ZINC000232620402	637264873	/nfs/dbraw/zinc/26/48/73/637264873.db2.gz	WXWPZCGGUXTUOF-VIFPVBQESA-N	-1	0	297.336	0.731	20	30		CCEDRM
C#CCCCCC(=O)[N-]S(=O)(=O)c1cnn(C)c1	ZINC000180733372	638278495	/nfs/dbraw/zinc/27/84/95/638278495.db2.gz	OUUKGGZKPUJLBY-UHFFFAOYSA-N	-1	0	269.326	0.419	20	30		CCEDRM
COc1n[nH]c(NC(=O)Cc2cccc(OCC#N)c2)n1	ZINC000182987290	638521691	/nfs/dbraw/zinc/52/16/91/638521691.db2.gz	HPWFZHMVVXSNTP-UHFFFAOYSA-N	-1	0	287.279	0.897	20	30		CCEDRM
C#C[C@H](C)NC(=O)c1ccc2c(c1)[n-]c(=S)n(C)c2=O	ZINC000185291144	638763556	/nfs/dbraw/zinc/76/35/56/638763556.db2.gz	FYSQXRHOWBNSKJ-QMMMGPOBSA-N	-1	0	287.344	0.974	20	30		CCEDRM
Cc1[nH]nc(C(=O)N2C[C@@H](NCC#N)C(C)(C)C2)c1[O-]	ZINC000995673718	638787423	/nfs/dbraw/zinc/78/74/23/638787423.db2.gz	DADNWRNFYDSGMG-SECBINFHSA-N	-1	0	277.328	0.388	20	30		CCEDRM
N#C[C@@]1(C(=O)NC[C@H](CC2CC2)C(=O)[O-])CCCOC1	ZINC000923086374	640018784	/nfs/dbraw/zinc/01/87/84/640018784.db2.gz	KZRIGZUGCAHILN-FZMZJTMJSA-N	-1	0	280.324	0.924	20	30		CCEDRM
N#C[C@@]1(C(=O)N2CCC[C@H]2CC(=O)[O-])CCCOC1	ZINC000923079103	640019160	/nfs/dbraw/zinc/01/91/60/640019160.db2.gz	NLTAHQMNHDFKIU-GWCFXTLKSA-N	-1	0	266.297	0.772	20	30		CCEDRM
Cc1oc(C#N)cc1C(=O)[N-]S(=O)(=O)C[C@H]1CCCO1	ZINC000797958224	640472316	/nfs/dbraw/zinc/47/23/16/640472316.db2.gz	IEIZATNULNTGIR-SECBINFHSA-N	-1	0	298.320	0.698	20	30		CCEDRM
C[C@H](C(=O)Nc1cc(C#N)ccc1[O-])n1cnc(C#N)n1	ZINC000798985606	640536605	/nfs/dbraw/zinc/53/66/05/640536605.db2.gz	QMJHYHUMTJISBK-MRVPVSSYSA-N	-1	0	282.263	0.927	20	30		CCEDRM
O=c1nc(C=NO)ccn1CCO[C@H]1CCCCO1	ZINC000799584594	640586545	/nfs/dbraw/zinc/58/65/45/640586545.db2.gz	HLTZPUPIZFCBSU-NSHDSACASA-N	-1	0	267.285	0.595	20	30		CCEDRM
C=C1CC(C)(C(=O)N[C@@H]2CCN(Cc3n[nH]c(=O)[n-]3)C2)C1	ZINC001015677330	650606918	/nfs/dbraw/zinc/60/69/18/650606918.db2.gz	VEXJCAVNFCMLEP-SNVBAGLBSA-N	-1	0	291.355	0.557	20	30		CCEDRM
N#CC(C(=O)NC1CC1)=C([O-])c1cccc(C#N)n1	ZINC000810531236	640937306	/nfs/dbraw/zinc/93/73/06/640937306.db2.gz	KQUZUKUFOXPWHW-JTQLQIEISA-N	-1	0	254.249	0.554	20	30		CCEDRM
CC#CCS(=O)(=O)[N-]C(=O)c1ncccc1CC	ZINC000810771735	640948593	/nfs/dbraw/zinc/94/85/93/640948593.db2.gz	NUFJNVDIBAZXAJ-UHFFFAOYSA-N	-1	0	266.322	0.727	20	30		CCEDRM
Cn1cnc(S(=O)(=O)[N-]C(=O)CCCC#N)c1Cl	ZINC000813062248	641020354	/nfs/dbraw/zinc/02/03/54/641020354.db2.gz	HNEKIIIPEIYXSE-UHFFFAOYSA-N	-1	0	290.732	0.572	20	30		CCEDRM
Cc1cc([N+](=O)[O-])ccc1C=Nn1c(=O)[n-][nH]c1=O	ZINC000814232276	641062405	/nfs/dbraw/zinc/06/24/05/641062405.db2.gz	ZQLWBDONYBHVSP-UHFFFAOYSA-N	-1	0	263.213	0.788	20	30		CCEDRM
O=C([O-])Cn1cc(C=NNCCO)c2ccccc21	ZINC000814943617	641083450	/nfs/dbraw/zinc/08/34/50/641083450.db2.gz	GWXSNWJIZBAHOR-UHFFFAOYSA-N	-1	0	261.281	0.642	20	30		CCEDRM
Cc1nn2c(C=NNCC(=O)[O-])c(C)nc2s1	ZINC000814957078	641084446	/nfs/dbraw/zinc/08/44/46/641084446.db2.gz	UJUBOXJABXUKBF-UHFFFAOYSA-N	-1	0	253.287	0.416	20	30		CCEDRM
Cc1cc(C#N)cnc1C(=O)[N-]S(=O)(=O)N(C)C(C)C	ZINC000815940513	641132077	/nfs/dbraw/zinc/13/20/77/641132077.db2.gz	XPYOJBOVYXYZGM-UHFFFAOYSA-N	-1	0	296.352	0.577	20	30		CCEDRM
Cc1nn(C)cc1S(=O)(=O)[N-]C(=O)CC1(C#N)CC1	ZINC000816085683	641140247	/nfs/dbraw/zinc/14/02/47/641140247.db2.gz	LSUXLUMEKZKGKW-UHFFFAOYSA-N	-1	0	282.325	0.227	20	30		CCEDRM
C[C@H](Oc1ccc(C#N)cc1)C(=O)Nn1c(=O)[n-][nH]c1=O	ZINC000816734486	641207491	/nfs/dbraw/zinc/20/74/91/641207491.db2.gz	RANMXWYXYBLSEJ-ZETCQYMHSA-N	-1	0	289.251	0.099	20	30		CCEDRM
C[C@](C#N)(CC(=O)[O-])C(=O)N1CCC[C@@](C)(O)C1	ZINC000820215329	641483963	/nfs/dbraw/zinc/48/39/63/641483963.db2.gz	SCPFJZYCCXUESV-VXGBXAGGSA-N	-1	0	254.286	0.364	20	30		CCEDRM
N#CCCS(=O)(=O)[N-]C(=O)/C=C/[C@@H]1CCCO1	ZINC000821047420	641558121	/nfs/dbraw/zinc/55/81/21/641558121.db2.gz	OJYZWPNTIDFYEF-MOVJSRMASA-N	-1	0	258.299	0.081	20	30		CCEDRM
C#C[C@@](C)(CC)NC(=O)c1cccc(-n2[n-]nnc2=N)c1	ZINC000823254887	641751578	/nfs/dbraw/zinc/75/15/78/641751578.db2.gz	HFJHKTKFJLZGST-AWEZNQCLSA-N	-1	0	284.323	0.607	20	30		CCEDRM
N#CCCCS(=O)(=O)[N-]C(=O)[C@@H]1CCC(=O)C1	ZINC000842750338	641921449	/nfs/dbraw/zinc/92/14/49/641921449.db2.gz	OTZRZKLUJWPBLD-MRVPVSSYSA-N	-1	0	258.299	0.105	20	30		CCEDRM
C[C@@H]1CN(C(=O)C2(C#N)CCOCC2)C[C@H]1C(=O)[O-]	ZINC000828318107	642086647	/nfs/dbraw/zinc/08/66/47/642086647.db2.gz	LARSPLSIIBAJBL-NXEZZACHSA-N	-1	0	266.297	0.486	20	30		CCEDRM
C[C@H](C#N)C(=O)N1CC[C@@](C)([N-]C(=O)C(F)(F)F)C1	ZINC000830820250	642295608	/nfs/dbraw/zinc/29/56/08/642295608.db2.gz	DRWKEGOFFDCMAQ-GMSGAONNSA-N	-1	0	277.246	0.816	20	30		CCEDRM
N#CCN(CC(=O)[O-])CC(=O)N1CCc2ccccc2C1	ZINC000833066450	642533297	/nfs/dbraw/zinc/53/32/97/642533297.db2.gz	ZCCAAVRRELRIJS-UHFFFAOYSA-N	-1	0	287.319	0.481	20	30		CCEDRM
Cc1[nH]c(C#N)cc1C(=O)[N-]S(=O)(=O)N(C)C(C)C	ZINC000835143332	642649821	/nfs/dbraw/zinc/64/98/21/642649821.db2.gz	WZWTZLPWBDFCSS-UHFFFAOYSA-N	-1	0	284.341	0.510	20	30		CCEDRM
C[C@H](O)CN(C)N=Cc1[nH]nc2cc(C(=O)[O-])ccc21	ZINC000841649420	642827545	/nfs/dbraw/zinc/82/75/45/642827545.db2.gz	HMTQLPBCWDOOOE-QMMMGPOBSA-N	-1	0	276.296	0.908	20	30		CCEDRM
O=C([O-])COc1ccc(C=NN2CCC[C@@H]2CO)cc1	ZINC000841663777	642828391	/nfs/dbraw/zinc/82/83/91/642828391.db2.gz	XSWONAPHHZUWPI-GFCCVEGCSA-N	-1	0	278.308	0.941	20	30		CCEDRM
C[C@]1(Cn2c(=O)[n-]cc(C#N)c2=O)CC1(Cl)Cl	ZINC000842618749	642918205	/nfs/dbraw/zinc/91/82/05/642918205.db2.gz	XWXWMZCFGQHPDD-SECBINFHSA-N	-1	0	274.107	0.992	20	30		CCEDRM
N#C[C@H]1CN(C(=O)c2nn(-c3ccccc3)cc2[O-])CCO1	ZINC000173162021	643616795	/nfs/dbraw/zinc/61/67/95/643616795.db2.gz	VCZBEICZKUSLCM-LBPRGKRZSA-N	-1	0	298.302	0.942	20	30		CCEDRM
Cc1noc(C)c1S(=O)(=O)[N-]C(=O)[C@H](C)CC#N	ZINC000850733427	643810021	/nfs/dbraw/zinc/81/00/21/643810021.db2.gz	MZYJCHMFFFMBSD-ZCFIWIBFSA-N	-1	0	271.298	0.646	20	30		CCEDRM
C[C@@H](CC#N)C(=O)[N-]S(=O)(=O)c1cccc(C#N)c1	ZINC000850739104	643811548	/nfs/dbraw/zinc/81/15/48/643811548.db2.gz	HEBQHPWWUPPGSW-VIFPVBQESA-N	-1	0	277.305	0.913	20	30		CCEDRM
N#CC1(CS(=O)(=O)N[C@H]2CC=C(C(=O)[O-])C2)CC1	ZINC000853070128	644072322	/nfs/dbraw/zinc/07/23/22/644072322.db2.gz	UVCMPXKGYYVLBZ-VIFPVBQESA-N	-1	0	270.310	0.383	20	30		CCEDRM
Cn1ncc(C(F)(F)F)c1C=Nn1c(=O)[n-][nH]c1=O	ZINC000853348976	644100545	/nfs/dbraw/zinc/10/05/45/644100545.db2.gz	OUWUHZWAYUDFEO-UHFFFAOYSA-N	-1	0	276.178	0.324	20	30		CCEDRM
N#Cc1cnn(C(=O)c2n[n-]c3ccccc3c2=O)c1N	ZINC000111581231	644143846	/nfs/dbraw/zinc/14/38/46/644143846.db2.gz	LAUXMNQOPDSLPH-UHFFFAOYSA-N	-1	0	280.247	0.262	20	30		CCEDRM
Cc1[nH]c(C=NN2C(=O)[C@@H](C)N(C)C2=O)cc1C(=O)[O-]	ZINC000857216664	644482848	/nfs/dbraw/zinc/48/28/48/644482848.db2.gz	ZPAFWJAWAUACAX-SSDOTTSWSA-N	-1	0	278.268	0.638	20	30		CCEDRM
Cc1ccnn1CC(=O)[N-]S(=O)(=O)CC1(C#N)CCC1	ZINC000860671358	644820450	/nfs/dbraw/zinc/82/04/50/644820450.db2.gz	ARPXFIGEOZMSFD-UHFFFAOYSA-N	-1	0	296.352	0.331	20	30		CCEDRM
C[C@H](CC#N)C(=O)[N-]S(=O)(=O)[C@@H]1COC(C)(C)C1	ZINC000861141620	644859305	/nfs/dbraw/zinc/85/93/05/644859305.db2.gz	ZNQIMNVJWROFSQ-BDAKNGLRSA-N	-1	0	274.342	0.550	20	30		CCEDRM
Cc1ncc(S(=O)(=O)[N-]c2cnn(CC#N)c2)n1C	ZINC000863403541	645092807	/nfs/dbraw/zinc/09/28/07/645092807.db2.gz	QHRIISGEKDBZQH-UHFFFAOYSA-N	-1	0	280.313	0.249	20	30		CCEDRM
C[C@]1([N-]C(=O)C(F)(F)F)CCN(c2ncncc2C#N)C1	ZINC000866284838	645512661	/nfs/dbraw/zinc/51/26/61/645512661.db2.gz	UAQZYEBASSJORK-NSHDSACASA-N	-1	0	299.256	0.996	20	30		CCEDRM
C[C@H](C(=O)N[C@@H]1CCCN(O)C1=O)c1ccncc1	ZINC000868562198	645786074	/nfs/dbraw/zinc/78/60/74/645786074.db2.gz	DJSCJEDQENSIGR-GXSJLCMTSA-N	-1	0	263.297	0.682	20	30		CCEDRM
O=C(N[C@H]1CCCN(O)C1=O)c1[nH]ncc1C(F)(F)F	ZINC000868562519	645786539	/nfs/dbraw/zinc/78/65/39/645786539.db2.gz	GTGXAZGIDOKWNI-LURJTMIESA-N	-1	0	292.217	0.539	20	30		CCEDRM
O=C(CCC1(O)CCC1)N[C@@H]1CCCN(O)C1=O	ZINC000868561955	645786711	/nfs/dbraw/zinc/78/67/11/645786711.db2.gz	ATVIJBXXQDZPRD-SECBINFHSA-N	-1	0	256.302	0.178	20	30		CCEDRM
C[C@H](CN(C)C(=O)C#Cc1ccccc1)c1nnn[n-]1	ZINC000124438231	646354755	/nfs/dbraw/zinc/35/47/55/646354755.db2.gz	FASGKJGPMKCQMO-LLVKDONJSA-N	-1	0	269.308	0.813	20	30		CCEDRM
N#CC(C(=O)NC1CC1)=C([O-])c1ncn(-c2ccccc2)n1	ZINC000131221845	647499622	/nfs/dbraw/zinc/49/96/22/647499622.db2.gz	BMMLNNWJUUDMQW-LBPRGKRZSA-N	-1	0	295.302	0.868	20	30		CCEDRM
C=CCN(CC=C)C(=O)C(=O)NC[C@@H](CC)C(=O)[O-]	ZINC000927959725	648601346	/nfs/dbraw/zinc/60/13/46/648601346.db2.gz	ICCJPXSTFCGXMG-SNVBAGLBSA-N	-1	0	268.313	0.414	20	30		CCEDRM
CS(=O)(=O)[N-]C(=O)COc1cccc(C#N)c1	ZINC000048486862	649322284	/nfs/dbraw/zinc/32/22/84/649322284.db2.gz	OGWVZAAEXBEKNP-UHFFFAOYSA-N	-1	0	254.267	0.853	20	30		CCEDRM
C=CCC1(C(=O)[N-]S(=O)(=O)c2cnn(C)c2)CCC1	ZINC000192190020	649501249	/nfs/dbraw/zinc/50/12/49/649501249.db2.gz	LPAAXRWQAPYHGM-UHFFFAOYSA-N	-1	0	283.353	0.971	20	30		CCEDRM
COCCNC(=O)C(C#N)=C([O-])c1ccc(C)o1	ZINC000193421363	649538040	/nfs/dbraw/zinc/53/80/40/649538040.db2.gz	FWPZGOSSGQXWHW-VIFPVBQESA-N	-1	0	250.254	0.673	20	30		CCEDRM
COCCNC(=O)C(C#N)=C([O-])c1ccn(C)c1C	ZINC000194885711	649586905	/nfs/dbraw/zinc/58/69/05/649586905.db2.gz	IAHFFZBKJJXFCK-NSHDSACASA-N	-1	0	263.297	0.419	20	30		CCEDRM
C#C[C@H](NC(=O)NCC(=O)[N-]OC)c1ccc(F)cc1	ZINC001230478619	805604970	/nfs/dbraw/zinc/60/49/70/805604970.db2.gz	KWIBZNPOCXJEKX-NSHDSACASA-N	-1	0	279.271	0.477	20	30		CCEDRM
N#Cc1ccnc(N2CCC(Oc3n[nH]c(=O)[n-]3)CC2)c1	ZINC001231307673	805773356	/nfs/dbraw/zinc/77/33/56/805773356.db2.gz	IKUPXRZGXZLJQR-UHFFFAOYSA-N	-1	0	286.295	0.825	20	30		CCEDRM
C[C@@H]1C(=O)N(C)CCN1Cc1ccc(C#N)cc1O	ZINC001233386788	806052415	/nfs/dbraw/zinc/05/24/15/806052415.db2.gz	ISOXATNSPPHCQR-SNVBAGLBSA-N	-1	0	259.309	0.926	20	30		CCEDRM
COC(=O)C1=NC(C(=O)OC)C([O-])=C1O[C@@H](C)CS	ZINC001234355223	806229518	/nfs/dbraw/zinc/22/95/18/806229518.db2.gz	MTMXDCMEXOGKFM-YFKPBYRVSA-N	-1	0	289.309	0.991	20	30		CCEDRM
Cn1c(=O)[n-]c(N[C@H]2CCCC2(C)C)c(C#N)c1=O	ZINC001120821558	798943588	/nfs/dbraw/zinc/94/35/88/798943588.db2.gz	MQMAPXWCPUIXGF-VIFPVBQESA-N	-1	0	262.313	0.936	20	30		CCEDRM
Cn1c(=O)[n-]c(NCCC[C@@H]2CCCCO2)c(C#N)c1=O	ZINC001120919388	798962111	/nfs/dbraw/zinc/96/21/11/798962111.db2.gz	VEIBPZFAHZQKOI-JTQLQIEISA-N	-1	0	292.339	0.706	20	30		CCEDRM
C=CCn1c(-c2cc(=O)[nH][n-]2)nnc1N(C)CCCF	ZINC001121561654	799057008	/nfs/dbraw/zinc/05/70/08/799057008.db2.gz	KTNPDNRSRQVTRM-UHFFFAOYSA-N	-1	0	280.307	0.484	20	30		CCEDRM
Cn1nncc1C([O-])=C(C#N)c1nc(N)c2ccccc2n1	ZINC001122416306	799229113	/nfs/dbraw/zinc/22/91/13/799229113.db2.gz	WFULGALAVIBWSC-VIFPVBQESA-N	-1	0	293.290	0.831	20	30		CCEDRM
CNC(=O)C(C#N)=C([O-])c1cc(C)c(C(=O)OC)o1	ZINC001122427863	799232855	/nfs/dbraw/zinc/23/28/55/799232855.db2.gz	ORCMJLIEFBJIFR-SSDOTTSWSA-N	-1	0	264.237	0.443	20	30		CCEDRM
CNC(=O)C(C#N)=C([O-])c1ccc(CNC(C)=O)cc1	ZINC001122625589	799277457	/nfs/dbraw/zinc/27/74/57/799277457.db2.gz	PNVWLUVYJMJAJA-LBPRGKRZSA-N	-1	0	273.292	0.391	20	30		CCEDRM
Cc1cc(=O)c(COC(=O)CSCC#N)n[n-]1	ZINC001122723892	799289584	/nfs/dbraw/zinc/28/95/84/799289584.db2.gz	RUBORVSIQJSRJV-UHFFFAOYSA-N	-1	0	253.283	0.791	20	30		CCEDRM
Cn1ccnc1C([O-])=C(C#N)C(=O)[C@@H]1CC1(F)F	ZINC001122812904	799298920	/nfs/dbraw/zinc/29/89/20/799298920.db2.gz	DYQSPNTZEFHNFC-RQJHMYQMSA-N	-1	0	253.208	0.967	20	30		CCEDRM
N#CCCS(=O)(=O)[N-]C(=O)Cc1ccc(F)cc1F	ZINC000835411725	799926727	/nfs/dbraw/zinc/92/67/27/799926727.db2.gz	UARHVYNXDRQKKN-UHFFFAOYSA-N	-1	0	288.275	0.867	20	30		CCEDRM
O=C(N[C@@H]1CCCN(O)C1=O)c1cc(F)c[nH]c1=O	ZINC001141463797	800009333	/nfs/dbraw/zinc/00/93/33/800009333.db2.gz	TVDMOTFVJWKSQN-MRVPVSSYSA-N	-1	0	269.232	0.036	20	30		CCEDRM
COC(=O)c1cc(C)c(C(=O)N[C@H]2CCCN(O)C2=O)o1	ZINC001141464045	800010255	/nfs/dbraw/zinc/01/02/55/800010255.db2.gz	XIIFTKSZTUQTDR-QMMMGPOBSA-N	-1	0	296.279	0.485	20	30		CCEDRM
CN(C)C(=O)C(=O)Nc1cc(C#N)c(F)cc1[O-]	ZINC001143277544	800220831	/nfs/dbraw/zinc/22/08/31/800220831.db2.gz	SBCAKBNXXRAPOV-UHFFFAOYSA-N	-1	0	251.217	0.430	20	30		CCEDRM
N#C[C@H](NC(=O)c1cc2cccc(O)c2cc1O)C(N)=O	ZINC001149656000	800288060	/nfs/dbraw/zinc/28/80/60/800288060.db2.gz	BIWBFMDBCYTPIO-JTQLQIEISA-N	-1	0	285.259	0.358	20	30		CCEDRM
C#C[C@@H](C)NC(=O)c1cccc(-c2nc(=O)o[n-]2)c1	ZINC001155139750	800917007	/nfs/dbraw/zinc/91/70/07/800917007.db2.gz	IMDVUWCRLHJZTP-MRVPVSSYSA-N	-1	0	257.249	0.781	20	30		CCEDRM
C=CCn1cnc2c1ncnc2[N-]S(=O)(=O)C1CC1	ZINC001259270815	808742565	/nfs/dbraw/zinc/74/25/65/808742565.db2.gz	MBOATZDMLGTONS-UHFFFAOYSA-N	-1	0	279.325	0.916	20	30		CCEDRM
C=CCS(=O)(=O)[N-][C@H](C(=O)OCC)C(F)(F)F	ZINC001259933245	808808892	/nfs/dbraw/zinc/80/88/92/808808892.db2.gz	QECDPTINRIGSSM-ZCFIWIBFSA-N	-1	0	275.248	0.586	20	30		CCEDRM
CO[N-]C(=O)CNC(=O)Nc1cc(C#N)c(F)cc1F	ZINC001208479043	803516233	/nfs/dbraw/zinc/51/62/33/803516233.db2.gz	NCGNOSRTJGJQPS-UHFFFAOYSA-N	-1	0	284.222	0.636	20	30		CCEDRM
N#Cc1cccc(C(=O)COC(=O)[C@H](O)CCC(=O)[O-])c1	ZINC001210369653	803648567	/nfs/dbraw/zinc/64/85/67/803648567.db2.gz	VBGKTRKTBCVBHK-LLVKDONJSA-N	-1	0	291.259	0.510	20	30		CCEDRM
C=CCC[C@@H](NC(=O)NCc1nccn1C)C(=O)[O-]	ZINC000315719835	804642722	/nfs/dbraw/zinc/64/27/22/804642722.db2.gz	CZIOHEZHWGSDFG-SECBINFHSA-N	-1	0	266.301	0.639	20	30		CCEDRM
C=CCC[C@@H](NC(=O)NCCn1ccnc1)C(=O)[O-]	ZINC000316044412	804667562	/nfs/dbraw/zinc/66/75/62/804667562.db2.gz	LCPQBWVAHYGXSQ-SNVBAGLBSA-N	-1	0	266.301	0.602	20	30		CCEDRM
C=CCC[C@H](NC(=O)NC[C@@]1(OC)CCOC1)C(=O)[O-]	ZINC000316578834	804710425	/nfs/dbraw/zinc/71/04/25/804710425.db2.gz	HHELZNKTRYXRHQ-GWCFXTLKSA-N	-1	0	286.328	0.511	20	30		CCEDRM
CN(C)C(=O)[C@@]12C[C@@H]1CN(C(=O)c1ccc(C#N)cc1[O-])C2	ZINC001276864751	804955118	/nfs/dbraw/zinc/95/51/18/804955118.db2.gz	HVJMCDXZGZEWDU-BDJLRTHQSA-N	-1	0	299.330	0.814	20	30		CCEDRM
C=CCOC[C@@H](CS(=O)(=O)[O-])OC[C@H]1CCOC1	ZINC001224483273	805042919	/nfs/dbraw/zinc/04/29/19/805042919.db2.gz	YTVJSRCYEBETBT-QWRGUYRKSA-N	-1	0	280.342	0.499	20	30		CCEDRM
N#CCN1CC[C@@H](Oc2ccc(S(=O)(=O)[O-])cc2)C1	ZINC001225513377	805137350	/nfs/dbraw/zinc/13/73/50/805137350.db2.gz	HGLPKKBXAXULQE-LLVKDONJSA-N	-1	0	282.321	0.910	20	30		CCEDRM
COC(=O)c1cc(C#N)ccc1OC(=O)[C@H](O)CC(=O)[O-]	ZINC001226306237	805215262	/nfs/dbraw/zinc/21/52/62/805215262.db2.gz	WFSJMAAZJMKDGS-SECBINFHSA-N	-1	0	293.231	0.086	20	30		CCEDRM
N#Cc1cc(F)ccc1OC(=O)[C@H](O)CC(=O)[O-]	ZINC001227025956	805311581	/nfs/dbraw/zinc/31/15/81/805311581.db2.gz	SCMPUSOYJRWTCU-MRVPVSSYSA-N	-1	0	253.185	0.438	20	30		CCEDRM
O=C1C=C[C@H](Oc2[n-]c(=O)nnc2Br)C1	ZINC001227066318	805316461	/nfs/dbraw/zinc/31/64/61/805316461.db2.gz	HZMXYXGPWJXMPJ-YFKPBYRVSA-N	-1	0	272.058	0.616	20	30		CCEDRM
C[C@H]1OCc2c1[n-]c(=O)nc2O[C@H]1CCN(CC#N)C1	ZINC001227713170	805381105	/nfs/dbraw/zinc/38/11/05/805381105.db2.gz	NLWMCBRQHKOJJU-BDAKNGLRSA-N	-1	0	276.296	0.750	20	30		CCEDRM
C#C[C@@H](Oc1[n-]c(=O)nc2cccnc21)C(=O)OCC	ZINC001228005489	805407415	/nfs/dbraw/zinc/40/74/15/805407415.db2.gz	SMDIMHSZWMEMOO-SECBINFHSA-N	-1	0	273.248	0.674	20	30		CCEDRM
CC[C@@H](C#CC(=O)OC)Oc1[nH]c(=O)[n-]c(=O)c1F	ZINC001229123299	805505097	/nfs/dbraw/zinc/50/50/97/805505097.db2.gz	CKSDTFAIWWAOSA-LURJTMIESA-N	-1	0	270.216	0.361	20	30		CCEDRM
N#CCN1CC[C@H](Oc2[nH]c(=O)[n-]c(=O)c2F)C1	ZINC001229123286	805505661	/nfs/dbraw/zinc/50/56/61/805505661.db2.gz	CFUVHHMQXGFBTQ-LURJTMIESA-N	-1	0	254.221	0.004	20	30		CCEDRM
C=CCOCC(=O)Nc1ccc(OCc2nnn[n-]2)cc1	ZINC000346126520	807579856	/nfs/dbraw/zinc/57/98/56/807579856.db2.gz	WIHCPQPCSLSIJO-UHFFFAOYSA-N	-1	0	289.295	0.920	20	30		CCEDRM
C=CCN1CCC[C@H]([N-]S(=O)(=O)C(F)(F)F)C1=O	ZINC001252390005	807818690	/nfs/dbraw/zinc/81/86/90/807818690.db2.gz	GWUUWGDURFCXFQ-ZETCQYMHSA-N	-1	0	286.275	0.603	20	30		CCEDRM
C#CC[S@@](=O)Cc1cn(CCCC(=O)[O-])nn1	ZINC001254085918	808179395	/nfs/dbraw/zinc/17/93/95/808179395.db2.gz	FYMPUMCFFPULBI-QGZVFWFLSA-N	-1	0	255.299	0.025	20	30		CCEDRM
C#CCOc1ccc(OCc2cn(CC(=O)[O-])nn2)cc1	ZINC001254090267	808180444	/nfs/dbraw/zinc/18/04/44/808180444.db2.gz	HEIHGQUFBQPOHO-UHFFFAOYSA-N	-1	0	287.275	0.954	20	30		CCEDRM
Cc1nc(C#N)cnc1[N-]S(=O)(=O)c1cn(C)cn1	ZINC001258993568	808708464	/nfs/dbraw/zinc/70/84/64/808708464.db2.gz	ZOLWGHYWVJIHNO-UHFFFAOYSA-N	-1	0	278.297	0.191	20	30		CCEDRM
COC(=O)CS(=O)(=O)[N-]c1c(F)cccc1C#N	ZINC001259024358	808722696	/nfs/dbraw/zinc/72/26/96/808722696.db2.gz	MCYHNWBOLGXFPZ-UHFFFAOYSA-N	-1	0	272.257	0.612	20	30		CCEDRM
COC(=O)CS(=O)(=O)[N-]c1ccc(C#N)cc1C#N	ZINC001259026802	808723663	/nfs/dbraw/zinc/72/36/63/808723663.db2.gz	DWNAOOROZBEGBG-UHFFFAOYSA-N	-1	0	279.277	0.345	20	30		CCEDRM
N#Cc1cc(S(=O)(=O)[N-]c2nnco2)ccc1F	ZINC001259411229	808757753	/nfs/dbraw/zinc/75/77/53/808757753.db2.gz	POWSREJNXMCKIO-UHFFFAOYSA-N	-1	0	268.229	0.881	20	30		CCEDRM
Cc1nc(C#N)cnc1[N-]S(=O)(=O)c1cccnc1	ZINC001259602975	808761944	/nfs/dbraw/zinc/76/19/44/808761944.db2.gz	YVRXSWXCPXKYDF-UHFFFAOYSA-N	-1	0	275.293	0.853	20	30		CCEDRM
C=CCS(=O)(=O)Nc1cccc(S(=O)(=O)[O-])c1	ZINC001259929775	808808307	/nfs/dbraw/zinc/80/83/07/808808307.db2.gz	SIMKKGIBSSXHPF-UHFFFAOYSA-N	-1	0	277.323	0.861	20	30		CCEDRM
N#CC1(CNS(=O)(=O)c2cccc(C(=O)[O-])c2)CC1	ZINC001260192514	808856029	/nfs/dbraw/zinc/85/60/29/808856029.db2.gz	NBCXLDIDBBKDHM-UHFFFAOYSA-N	-1	0	280.305	0.967	20	30		CCEDRM
N#CC1(CNS(=O)(=O)c2ccc(C(=O)[O-])cc2)CC1	ZINC001260231717	808857321	/nfs/dbraw/zinc/85/73/21/808857321.db2.gz	WQMLMDSKKYVPRQ-UHFFFAOYSA-N	-1	0	280.305	0.967	20	30		CCEDRM
C#Cc1ccc([N-]S(=O)(=O)c2cn(C)c(C)n2)cn1	ZINC001260543437	808864062	/nfs/dbraw/zinc/86/40/62/808864062.db2.gz	XOAHNTKYMZBUGQ-UHFFFAOYSA-N	-1	0	276.321	0.906	20	30		CCEDRM
C=CCO[C@H]1CCN(Cc2cc(C(=O)[O-])n[nH]2)C1	ZINC001262156349	809209218	/nfs/dbraw/zinc/20/92/18/809209218.db2.gz	OEWQLLSXRGZNFU-JTQLQIEISA-N	-1	0	251.286	0.885	20	30		CCEDRM
Cn1nnc2c1nccc2C([O-])=C(C#N)C(=O)N1CCCC1	ZINC001263293620	809504205	/nfs/dbraw/zinc/50/42/05/809504205.db2.gz	SOGYMIOAVFCAIV-JTQLQIEISA-N	-1	0	298.306	0.308	20	30		CCEDRM
CNC(=O)C(C#N)=C([O-])c1cnn(-c2ccccc2)c1OC	ZINC001263292986	809504371	/nfs/dbraw/zinc/50/43/71/809504371.db2.gz	YUXPKTFIBGIWLY-LLVKDONJSA-N	-1	0	298.302	0.949	20	30		CCEDRM
C=CCOC[C@H](CS(=O)(=O)[O-])OCCOC(C)C	ZINC001222675634	811968140	/nfs/dbraw/zinc/96/81/40/811968140.db2.gz	ZKTUQJSTCGOGDS-LLVKDONJSA-N	-1	0	282.358	0.887	20	30		CCEDRM
C#CCN1CC[C@@]2(CCN(C(=O)c3ccncc3[O-])C2)C1=O	ZINC001271402714	814405330	/nfs/dbraw/zinc/40/53/30/814405330.db2.gz	PYTDICOCCPRIEZ-INIZCTEOSA-N	-1	0	299.330	0.485	20	30		CCEDRM
C=CCN(CC(=O)[O-])C(=O)c1cn2c(n1)CCCC2	ZINC000696158397	816009609	/nfs/dbraw/zinc/00/96/09/816009609.db2.gz	MGWNQUDASPKEEL-UHFFFAOYSA-N	-1	0	263.297	0.932	20	30		CCEDRM
C#CCO[N-]C(=O)COc1cccc([N+](=O)[O-])c1	ZINC000704276498	819373298	/nfs/dbraw/zinc/37/32/98/819373298.db2.gz	PONVRYNEXMYHOO-UHFFFAOYSA-N	-1	0	250.210	0.655	20	30		CCEDRM
C=CCC[C@@H](NC(=O)N[C@H]1C[C@H](OC)C1)C(=O)[O-]	ZINC000706532870	819649012	/nfs/dbraw/zinc/64/90/12/819649012.db2.gz	CJKCZPDWAIXQKK-OPRDCNLKSA-N	-1	0	256.302	0.882	20	30		CCEDRM
C=CCC[C@H](NC(=O)N[C@H]1C[C@H](OC)C1)C(=O)[O-]	ZINC000706532869	819649399	/nfs/dbraw/zinc/64/93/99/819649399.db2.gz	CJKCZPDWAIXQKK-GUBZILKMSA-N	-1	0	256.302	0.882	20	30		CCEDRM
C#CC1(O)CCN(C(=O)c2cccc(O)c2O)CC1	ZINC000708128717	819759388	/nfs/dbraw/zinc/75/93/88/819759388.db2.gz	TWIKDBWEXRGPSR-UHFFFAOYSA-N	-1	0	261.277	0.698	20	30		CCEDRM
C=CCCS(=O)(=O)N[C@H]1C[C@@H]2C[C@]2(C(=O)[O-])C1	ZINC000710580974	819857054	/nfs/dbraw/zinc/85/70/54/819857054.db2.gz	SAFHWBSQVZRCTD-YWVKMMECSA-N	-1	0	259.327	0.735	20	30		CCEDRM
C=CCCOCCNC(=O)N1CC2CC1(C(=O)[O-])C2	ZINC000694786262	819883389	/nfs/dbraw/zinc/88/33/89/819883389.db2.gz	YQPNBWNSKGVCCE-UHFFFAOYSA-N	-1	0	268.313	0.838	20	30		CCEDRM
C=CC[C@H](NC(=O)NCCC[C@@H](C)CO)C(=O)[O-]	ZINC001119578290	821377075	/nfs/dbraw/zinc/37/70/75/821377075.db2.gz	UAURKTBYJHOMJG-ZJUUUORDSA-N	-1	0	258.318	0.724	20	30		CCEDRM
COC(=O)N1CCN(C(=O)CCC(=O)C2=CC=C[CH]2)CC1	ZINC001184240486	844186075	/nfs/dbraw/zinc/18/60/75/844186075.db2.gz	FGORPNUCQSGIML-UHFFFAOYSA-N	-1	0	291.327	0.947	20	30		CCEDRM
C[C@]1(CO)CN(C(=O)CCC(=O)C2=CC=C[CH]2)CC[C@H]1O	ZINC001184243992	844187103	/nfs/dbraw/zinc/18/71/03/844187103.db2.gz	GDIBXTHBFKFASV-GDBMZVCRSA-N	-1	0	292.355	0.628	20	30		CCEDRM
N#C[C@H]1CN(C(=O)CCC(=O)C2=CC=C[CH]2)CCO1	ZINC001184243759	844187957	/nfs/dbraw/zinc/18/79/57/844187957.db2.gz	MOZHFFLZQDRKIK-LBPRGKRZSA-N	-1	0	259.285	0.787	20	30		CCEDRM
C[C@H](NC(=O)c1cn[nH]n1)[C@H](C)Nc1ccncc1C#N	ZINC001113356654	837095857	/nfs/dbraw/zinc/09/58/57/837095857.db2.gz	KJQLVKRZFCUTLX-IUCAKERBSA-N	-1	0	285.311	0.112	20	30		CCEDRM
CCOC(=O)c1ccc([N-][C@H](C#N)C(N)=O)c([N+](=O)[O-])c1	ZINC001170538224	837993460	/nfs/dbraw/zinc/99/34/60/837993460.db2.gz	ZGGABGRCTJTLLL-SECBINFHSA-N	-1	0	292.251	0.561	20	30		CCEDRM
Cn1[n-]nnc1=NC(=O)c1cc(Cl)c(C#N)c(Cl)n1	ZINC001184787932	844286999	/nfs/dbraw/zinc/28/69/99/844286999.db2.gz	KHJJUXVLPBTQBQ-UHFFFAOYSA-N	-1	0	298.093	0.458	20	30		CCEDRM
CC1=C(C(=O)Nc2nc(C#N)c(C#N)[n-]2)C(=O)OC1(C)C	ZINC001143815350	839882865	/nfs/dbraw/zinc/88/28/65/839882865.db2.gz	UCGDNKKHCHYTMT-UHFFFAOYSA-N	-1	0	285.263	0.743	20	30		CCEDRM
C=C(Cc1ccccc1)C(=O)NCS(=O)(=O)[O-]	ZINC001144407646	840035810	/nfs/dbraw/zinc/03/58/10/840035810.db2.gz	CDOWTLOOGAKELU-UHFFFAOYSA-N	-1	0	255.295	0.747	20	30		CCEDRM
C#CCSCC(=O)N(Cc1nnn[n-]1)CC(C)C	ZINC001176602688	842396041	/nfs/dbraw/zinc/39/60/41/842396041.db2.gz	QJJKPZMJPFYMOE-UHFFFAOYSA-N	-1	0	267.358	0.551	20	30		CCEDRM
N#Cc1ccc(CNC(=O)Cc2nnn[n-]2)cc1F	ZINC001176846303	842446535	/nfs/dbraw/zinc/44/65/35/842446535.db2.gz	ZQDNZNCEWMVWST-UHFFFAOYSA-N	-1	0	260.232	0.069	20	30		CCEDRM
Cn1ccc(C(=O)Nc2c[nH]nc2C#N)c1CC(=O)[O-]	ZINC001177363930	842565759	/nfs/dbraw/zinc/56/57/59/842565759.db2.gz	YCDBIGBTVIEDKA-UHFFFAOYSA-N	-1	0	273.252	0.499	20	30		CCEDRM
N#Cc1ccccc1CC(=O)NCc1n[nH]c(=O)[n-]1	ZINC001181804007	843619600	/nfs/dbraw/zinc/61/96/00/843619600.db2.gz	JBFXESHOMZHRQH-UHFFFAOYSA-N	-1	0	257.253	0.241	20	30		CCEDRM
N#Cc1cccc2[nH]cc(CC(=O)NCS(=O)(=O)[O-])c21	ZINC001182582631	843866366	/nfs/dbraw/zinc/86/63/66/843866366.db2.gz	FAHUAMHSPPIUGQ-UHFFFAOYSA-N	-1	0	293.304	0.544	20	30		CCEDRM
N#Cc1ccc(OCC(=O)NCC(=O)CCC(=O)[O-])cc1	ZINC001182920132	843935437	/nfs/dbraw/zinc/93/54/37/843935437.db2.gz	HSXAOQGJEGUDTL-UHFFFAOYSA-N	-1	0	290.275	0.487	20	30		CCEDRM
N#CN=C(NC([O-])=C(CO)C(F)(F)F)c1ccncc1	ZINC001183287895	844005007	/nfs/dbraw/zinc/00/50/07/844005007.db2.gz	LNJVXRQCARDOEY-MRVPVSSYSA-N	-1	0	286.213	0.596	20	30		CCEDRM
C#Cc1cccnc1[N-]S(=O)(=O)CCOCC	ZINC001187243525	844677328	/nfs/dbraw/zinc/67/73/28/844677328.db2.gz	LIBGZOQQYFZXQG-UHFFFAOYSA-N	-1	0	254.311	0.841	20	30		CCEDRM
Cc1ncc(C#N)cc1[N-]S(=O)(=O)c1c[nH]cn1	ZINC001187730567	844752569	/nfs/dbraw/zinc/75/25/69/844752569.db2.gz	KBXCUVGUXGWMFW-UHFFFAOYSA-N	-1	0	263.282	0.786	20	30		CCEDRM
N#Cc1cccc(O)c1[N-]S(=O)(=O)c1c[nH]cn1	ZINC001187762829	844767181	/nfs/dbraw/zinc/76/71/81/844767181.db2.gz	RLRAFXUIKMOFKB-UHFFFAOYSA-N	-1	0	264.266	0.788	20	30		CCEDRM
N#Cc1cnoc1[N-]S(=O)(=O)c1nccs1	ZINC001187853563	844783547	/nfs/dbraw/zinc/78/35/47/844783547.db2.gz	QNNLGCHQWYUNQJ-UHFFFAOYSA-N	-1	0	256.268	0.804	20	30		CCEDRM
COC(=O)n1ncc(C#N)c1[N-]C(=O)c1snnc1C	ZINC001187899224	844794479	/nfs/dbraw/zinc/79/44/79/844794479.db2.gz	WFDCIVURUIDFCE-UHFFFAOYSA-N	-1	0	292.280	0.782	20	30		CCEDRM
COc1ccc(C#N)c(C(=O)NCc2nnn[n-]2)c1	ZINC001189095895	845049280	/nfs/dbraw/zinc/04/92/80/845049280.db2.gz	GPDBVFRQJDOEAD-UHFFFAOYSA-N	-1	0	258.241	0.010	20	30		CCEDRM
Cc1ccc(Cn2c(=O)[n-]cc(C#N)c2=O)cc1F	ZINC001189574120	845172403	/nfs/dbraw/zinc/17/24/03/845172403.db2.gz	IRSIYQKCXNSGOB-UHFFFAOYSA-N	-1	0	259.240	0.904	20	30		CCEDRM
N#Cc1cnc([N-]S(=O)(=O)c2ncc(F)cc2F)cn1	ZINC001190133562	845328740	/nfs/dbraw/zinc/32/87/40/845328740.db2.gz	FQPGWNCITBREAL-UHFFFAOYSA-N	-1	0	297.246	0.822	20	30		CCEDRM
N#Cc1cccc(C#N)c1[N-]S(=O)(=O)c1ncc[nH]1	ZINC001190718372	845464024	/nfs/dbraw/zinc/46/40/24/845464024.db2.gz	GGZJFLPRIAHLKA-UHFFFAOYSA-N	-1	0	273.277	0.954	20	30		CCEDRM
CCOC(=O)[C@H](C#N)NC(=O)c1ccc(F)c(F)c1[O-]	ZINC001192812043	845914132	/nfs/dbraw/zinc/91/41/32/845914132.db2.gz	ZUYICRZBSSCHIO-QMMMGPOBSA-N	-1	0	284.218	0.855	20	30		CCEDRM
CCOC(=O)[C@H](C#N)NC(=O)c1cc(F)c([O-])cc1F	ZINC001192876059	845920637	/nfs/dbraw/zinc/92/06/37/845920637.db2.gz	JGYZANAIUDOFQW-VIFPVBQESA-N	-1	0	284.218	0.855	20	30		CCEDRM
COC(=O)c1nc(OC)ccc1[N-]S(=O)(=O)CC#N	ZINC001192951887	845934254	/nfs/dbraw/zinc/93/42/54/845934254.db2.gz	SJGIJPHLLMHQOD-UHFFFAOYSA-N	-1	0	285.281	0.142	20	30		CCEDRM
COC(=O)c1cc(O)c(F)cc1[N-]S(=O)(=O)CC#N	ZINC001192982212	845942983	/nfs/dbraw/zinc/94/29/83/845942983.db2.gz	JWPMHSVOQRNNOY-UHFFFAOYSA-N	-1	0	288.256	0.583	20	30		CCEDRM
CCn1nnc(-c2ccccc2[N-]S(=O)(=O)CC#N)n1	ZINC001192989065	845947955	/nfs/dbraw/zinc/94/79/55/845947955.db2.gz	YHMGBNLYBDUWJQ-UHFFFAOYSA-N	-1	0	292.324	0.625	20	30		CCEDRM
CN1Cc2cc([N-]S(=O)(=O)CC#N)ccc2C1=O	ZINC001192978937	845961538	/nfs/dbraw/zinc/96/15/38/845961538.db2.gz	PJQZXOKDXVDNDA-UHFFFAOYSA-N	-1	0	265.294	0.537	20	30		CCEDRM
N#CCS(=O)(=O)[N-]c1cc(F)ccc1C(N)=O	ZINC001192978781	845961790	/nfs/dbraw/zinc/96/17/90/845961790.db2.gz	GKDGMKOPKKJVRG-UHFFFAOYSA-N	-1	0	257.246	0.190	20	30		CCEDRM
CS(=O)(=O)c1ccc([N-]S(=O)(=O)CC#N)cc1F	ZINC001192980077	845962603	/nfs/dbraw/zinc/96/26/03/845962603.db2.gz	BNOQZHANOIWNOZ-UHFFFAOYSA-N	-1	0	292.313	0.494	20	30		CCEDRM
COc1cnc(Cl)c([N-]S(=O)(=O)[C@H](C)C#N)n1	ZINC001193111738	845981586	/nfs/dbraw/zinc/98/15/86/845981586.db2.gz	KTLJYRDSPAFEIU-RXMQYKEDSA-N	-1	0	276.705	0.792	20	30		CCEDRM
CNC(=O)c1ccc([N-]S(=O)(=O)[C@H](C)C#N)cc1	ZINC001193097746	845977729	/nfs/dbraw/zinc/97/77/29/845977729.db2.gz	RITWFNZOMMEJEK-MRVPVSSYSA-N	-1	0	267.310	0.700	20	30		CCEDRM
CSc1nc([N-]S(=O)(=O)[C@H](C)C#N)cc(=O)[nH]1	ZINC001193104063	845979205	/nfs/dbraw/zinc/97/92/05/845979205.db2.gz	FHBNURLELUIJSP-RXMQYKEDSA-N	-1	0	274.327	0.558	20	30		CCEDRM
C[C@H](C#N)S(=O)(=O)[N-]c1cnc(OCC2CC2)nc1	ZINC001193112431	845981021	/nfs/dbraw/zinc/98/10/21/845981021.db2.gz	SYDSLJKXGUDIJX-MRVPVSSYSA-N	-1	0	282.325	0.919	20	30		CCEDRM
C[C@H](C#N)S(=O)(=O)[N-]c1nc(C#N)c(C#N)nc1Cl	ZINC001193111775	845981381	/nfs/dbraw/zinc/98/13/81/845981381.db2.gz	LHODVKHQIKUCHG-RXMQYKEDSA-N	-1	0	296.699	0.527	20	30		CCEDRM
C[C@H](C#N)S(=O)(=O)[N-]c1cc(F)cnc1C#N	ZINC001193112719	845982438	/nfs/dbraw/zinc/98/24/38/845982438.db2.gz	VBRRBEHQJOLMQC-ZCFIWIBFSA-N	-1	0	254.246	0.746	20	30		CCEDRM
CCc1nc2ccc([N-]S(=O)(=O)[C@H](C)C#N)cn2n1	ZINC001193112923	845982578	/nfs/dbraw/zinc/98/25/78/845982578.db2.gz	WSTQMHHQISDRJD-MRVPVSSYSA-N	-1	0	279.325	0.945	20	30		CCEDRM
N#Cc1cnc([N-]S(=O)(=O)C[C@H]2CCCO2)cn1	ZINC001193196801	846015355	/nfs/dbraw/zinc/01/53/55/846015355.db2.gz	WBRQMTHJLCXZFO-SECBINFHSA-N	-1	0	268.298	0.269	20	30		CCEDRM
C#Cc1cnc([N-]S(=O)(=O)C[C@@H]2CCCO2)c(C#C)n1	ZINC001193208334	846020463	/nfs/dbraw/zinc/02/04/63/846020463.db2.gz	UZRPGIJKZJFEJJ-NSHDSACASA-N	-1	0	291.332	0.360	20	30		CCEDRM
N#Cc1cc(C(=O)NCCn2ccnc2)ccc1[O-]	ZINC001193494319	846093829	/nfs/dbraw/zinc/09/38/29/846093829.db2.gz	KDGDZLJVQAYEQX-UHFFFAOYSA-N	-1	0	256.265	0.890	20	30		CCEDRM
N#Cc1cc(C(=O)N[C@H](CO)C(F)(F)F)ccc1[O-]	ZINC001193515698	846102785	/nfs/dbraw/zinc/10/27/85/846102785.db2.gz	QJUCXWXOIMNTLK-SECBINFHSA-N	-1	0	274.198	0.917	20	30		CCEDRM
Cc1nc(C#N)ccc1[N-]S(=O)(=O)c1nccn1C	ZINC001193557206	846117737	/nfs/dbraw/zinc/11/77/37/846117737.db2.gz	LOBCOPQXGLUFGQ-UHFFFAOYSA-N	-1	0	277.309	0.796	20	30		CCEDRM
Cn1[n-]c(C(=O)Nc2ccc(C#N)cc2O)cc1=O	ZINC001194201475	846240587	/nfs/dbraw/zinc/24/05/87/846240587.db2.gz	LQQISYIYGVNCHA-UHFFFAOYSA-N	-1	0	258.237	0.955	20	30		CCEDRM
Cn1[n-]c(C(=O)N=C(NC#N)c2ccncc2)cc1=O	ZINC001194203084	846240748	/nfs/dbraw/zinc/24/07/48/846240748.db2.gz	UVHXWQYMUOSCKD-UHFFFAOYSA-N	-1	0	270.252	0.178	20	30		CCEDRM
COc1ccc(C(=NC(=O)c2cc(=O)n(C)[n-]2)NO)nc1	ZINC001194211358	846241476	/nfs/dbraw/zinc/24/14/76/846241476.db2.gz	AGAVWBDVPDRUHX-UHFFFAOYSA-N	-1	0	291.267	0.095	20	30		CCEDRM
COc1ccc(S(=O)(=O)[N-]c2cnc(C#N)cn2)cn1	ZINC001195674851	846596273	/nfs/dbraw/zinc/59/62/73/846596273.db2.gz	OENFWSLUEMMTJF-UHFFFAOYSA-N	-1	0	291.292	0.553	20	30		CCEDRM
COc1ccc(S(=O)(=O)[N-]c2cn(C)nc2C#N)cn1	ZINC001195695770	846604836	/nfs/dbraw/zinc/60/48/36/846604836.db2.gz	YIKGQCMTPJIPRA-UHFFFAOYSA-N	-1	0	293.308	0.496	20	30		CCEDRM
CN1C[C@H](CNC(=O)c2ccc(C#N)cc2[O-])CC1=O	ZINC001195763840	846612490	/nfs/dbraw/zinc/61/24/90/846612490.db2.gz	DCMIGGRKOCTHGQ-JTQLQIEISA-N	-1	0	273.292	0.472	20	30		CCEDRM
N#Cc1ccc(C(=O)Nc2oncc2C(N)=O)c([O-])c1	ZINC001195740432	846619914	/nfs/dbraw/zinc/61/99/14/846619914.db2.gz	FIFQFCZOCHVYST-UHFFFAOYSA-N	-1	0	272.220	0.603	20	30		CCEDRM
C#Cc1cccnc1[N-]S(=O)(=O)CC(=O)OCC	ZINC001195934722	846653144	/nfs/dbraw/zinc/65/31/44/846653144.db2.gz	WFSARZSLXRJKMZ-UHFFFAOYSA-N	-1	0	268.294	0.368	20	30		CCEDRM
CCOC(=O)CS(=O)(=O)[N-]c1ccc(C#N)cc1C#N	ZINC001195983714	846658329	/nfs/dbraw/zinc/65/83/29/846658329.db2.gz	DXZRFAYRKSUIHW-UHFFFAOYSA-N	-1	0	293.304	0.735	20	30		CCEDRM
COC(=O)CNC(=S)Nc1cc(C#N)c(F)cc1[O-]	ZINC001197195509	846869997	/nfs/dbraw/zinc/86/99/97/846869997.db2.gz	JRQINNOYIMSFKL-UHFFFAOYSA-N	-1	0	283.284	0.862	20	30		CCEDRM
Cn1cc([N-]S(=O)(=O)Cc2cccnc2)c(C#N)n1	ZINC001197422350	846909175	/nfs/dbraw/zinc/90/91/75/846909175.db2.gz	NBNYUBYEBKCIHJ-UHFFFAOYSA-N	-1	0	277.309	0.629	20	30		CCEDRM
Cc1ccc(S(=O)(=O)[N-]c2nnnn2C)cc1C#N	ZINC001201288071	847753851	/nfs/dbraw/zinc/75/38/51/847753851.db2.gz	UVCJKGQFHWAIDH-UHFFFAOYSA-N	-1	0	278.297	0.191	20	30		CCEDRM
C=CCC1(O)CCN(C(=O)NC[C@H](C)C(=O)[O-])CC1	ZINC000717250737	848182310	/nfs/dbraw/zinc/18/23/10/848182310.db2.gz	QNDQPWQWFVOZQY-JTQLQIEISA-N	-1	0	270.329	0.820	20	30		CCEDRM
C#CC[C@@H](CO)N=c1nc[nH]c2sc(C(=O)[O-])c(C)c21	ZINC000717734324	848290674	/nfs/dbraw/zinc/29/06/74/848290674.db2.gz	ZBLTZXOBHIEIHB-QMMMGPOBSA-N	-1	0	291.332	0.916	20	30		CCEDRM
NC(=O)C12CC(NC(=O)CCC(=O)C3=CC=C[CH]3)(C1)C2	ZINC001274661979	848535689	/nfs/dbraw/zinc/53/56/89/848535689.db2.gz	SQVZKWRZWHLEQS-UHFFFAOYSA-N	-1	0	273.312	0.560	20	30		CCEDRM
C#CC[N@H+](C)CCCNC(=O)N[C@@H](C(=O)[O-])C1CC1	ZINC000380912728	849696586	/nfs/dbraw/zinc/69/65/86/849696586.db2.gz	JWICLHXVWVHARF-LLVKDONJSA-N	-1	0	267.329	0.104	20	30		CCEDRM
Cc1[nH]nc(C(=O)N2CC[C@H](NCC#N)C[C@H]2C)c1[O-]	ZINC001044555568	851122917	/nfs/dbraw/zinc/12/29/17/851122917.db2.gz	UAMFDTLTUYEPBF-SCZZXKLOSA-N	-1	0	277.328	0.530	20	30		CCEDRM
Cc1n[nH]c(C(=O)NC2(C)CCN(CC#N)CC2)c1[O-]	ZINC001045409993	851251940	/nfs/dbraw/zinc/25/19/40/851251940.db2.gz	ZFMZONBMPHVSHI-UHFFFAOYSA-N	-1	0	277.328	0.532	20	30		CCEDRM
CON=CC(=O)Nc1cccc(-c2n[nH]c(=O)[n-]2)c1	ZINC000803408198	852198955	/nfs/dbraw/zinc/19/89/55/852198955.db2.gz	CQJVWKSJIQTMFY-UHFFFAOYSA-N	-1	0	261.241	0.748	20	30		CCEDRM
C=CCN1CCOC[C@H]1CNC(=O)c1[nH]nc(C)c1[O-]	ZINC001050877426	853470633	/nfs/dbraw/zinc/47/06/33/853470633.db2.gz	XFVPYDOMOIFGGI-SNVBAGLBSA-N	-1	0	280.328	0.040	20	30		CCEDRM
C#CC[C@@H](NC(=O)c1cc(Br)cn1C)C(=O)[O-]	ZINC000149939223	854008808	/nfs/dbraw/zinc/00/88/08/854008808.db2.gz	IRJRHYHACWFGLQ-MRVPVSSYSA-N	-1	0	299.124	0.994	20	30		CCEDRM
C=CCN(CC(=O)[O-])C(=O)NCc1cc(C)nn1C	ZINC000390475858	854031870	/nfs/dbraw/zinc/03/18/70/854031870.db2.gz	IIUNJGDFXQCVFA-UHFFFAOYSA-N	-1	0	266.301	0.511	20	30		CCEDRM
Cc1[nH]nc(C(=O)N2C[C@@H](C)[C@H](CCNCC#N)C2)c1[O-]	ZINC001104077025	855567435	/nfs/dbraw/zinc/56/74/35/855567435.db2.gz	ZBDJGFLEDIXDPY-MWLCHTKSSA-N	-1	0	291.355	0.635	20	30		CCEDRM
N#C[C@@]1(C(=O)[N-]OC[C@@H]2CCOC2)CCCOC1	ZINC001119255133	856600729	/nfs/dbraw/zinc/60/07/29/856600729.db2.gz	QMAUCSXUFTVVAG-PWSUYJOCSA-N	-1	0	254.286	0.391	20	30		CCEDRM
C=CC[C@@H](NC(=O)Cn1ccc(C(F)F)n1)C(=O)[O-]	ZINC001119644443	856805647	/nfs/dbraw/zinc/80/56/47/856805647.db2.gz	KGPSYIUGVKIKDJ-MRVPVSSYSA-N	-1	0	273.239	0.966	20	30		CCEDRM
Cc1ncc(C=Nn2c(=O)c(C)n[n-]c2=S)s1	ZINC001323440356	912349005	/nfs/dbraw/zinc/34/90/05/912349005.db2.gz	AOFDBGMVOSTDQP-UHFFFAOYSA-N	-1	0	267.339	0.883	20	30		CCEDRM
CC#CCS(=O)(=O)[N-]C(=O)COCc1ccncc1	ZINC001323960913	912601716	/nfs/dbraw/zinc/60/17/16/912601716.db2.gz	BYADESKOYKHFDG-UHFFFAOYSA-N	-1	0	282.321	0.068	20	30		CCEDRM
C[C@]1(NC(=O)C#CC2CC2)CCN(Cc2n[nH]c(=O)[n-]2)C1	ZINC001324615481	912941058	/nfs/dbraw/zinc/94/10/58/912941058.db2.gz	OZKMEHMGIKNCSY-AWEZNQCLSA-N	-1	0	289.339	0.004	20	30		CCEDRM
C#CCCCNC(=O)C(=O)[N-]OCCC(F)(F)F	ZINC001324826121	913052339	/nfs/dbraw/zinc/05/23/39/913052339.db2.gz	QBQCAHUGIHVYQV-UHFFFAOYSA-N	-1	0	266.219	0.516	20	30		CCEDRM
Cn1cc(CCC(=O)[N-]S(=O)(=O)CCCC#N)cn1	ZINC001324924228	913099393	/nfs/dbraw/zinc/09/93/93/913099393.db2.gz	MRKIUCKJHSHBAA-UHFFFAOYSA-N	-1	0	284.341	0.102	20	30		CCEDRM
C=CC[C@@H](NC(=O)CS(=O)(=O)CCCCC)C(=O)[O-]	ZINC001325144131	913242129	/nfs/dbraw/zinc/24/21/29/913242129.db2.gz	OHKPGGWZTSLATK-SNVBAGLBSA-N	-1	0	291.369	0.737	20	30		CCEDRM
C=C(C)Cn1c(-c2cc(=O)n(C)[n-]2)nnc1N(C)OC	ZINC001342160268	892699065	/nfs/dbraw/zinc/69/90/65/892699065.db2.gz	RKUQRAUOVTWQCN-UHFFFAOYSA-N	-1	0	278.316	0.958	20	30		CCEDRM
COCCNC(=O)C(C#N)=C([O-])c1cc(C)n(C(C)C)n1	ZINC001343583349	892941470	/nfs/dbraw/zinc/94/14/70/892941470.db2.gz	QCSZCRBOONGGCI-NSHDSACASA-N	-1	0	292.339	0.858	20	30		CCEDRM
Cc1nn2c(S[C@@H]3CC[C@H](C#N)C3)n[n-]c2nc1=O	ZINC001364275103	894003108	/nfs/dbraw/zinc/00/31/08/894003108.db2.gz	AKJDPBGCVRBODY-JGVFFNPUSA-N	-1	0	276.325	0.905	20	30		CCEDRM
C=CC[C@@H](NC(=O)CNC(=O)C(C)(C)C)C(=O)[O-]	ZINC000150144798	894980987	/nfs/dbraw/zinc/98/09/87/894980987.db2.gz	ZSWYKEYFDQRUSJ-MRVPVSSYSA-N	-1	0	256.302	0.294	20	30		CCEDRM
Cn1c(=O)[n-]c(SC2CCCC2)c(C#N)c1=O	ZINC001336945770	921118972	/nfs/dbraw/zinc/11/89/72/921118972.db2.gz	FQLASIBAMUVYAQ-UHFFFAOYSA-N	-1	0	251.311	0.980	20	30		CCEDRM
N#CCCCCS(=O)(=O)NCC1(CC(=O)[O-])CC1	ZINC001327072140	914351617	/nfs/dbraw/zinc/35/16/17/914351617.db2.gz	POUPHYUXLSSQJM-UHFFFAOYSA-N	-1	0	274.342	0.855	20	30		CCEDRM
C=CCn1cc(C(=O)N2CCC(C(=O)[O-])CC2)nn1	ZINC001327071123	914352965	/nfs/dbraw/zinc/35/29/65/914352965.db2.gz	LNSBTEYRYHNXBJ-UHFFFAOYSA-N	-1	0	264.285	0.401	20	30		CCEDRM
CSc1nccc([N-]S(=O)(=O)[C@H](C)C#N)n1	ZINC001193106845	900031785	/nfs/dbraw/zinc/03/17/85/900031785.db2.gz	YOZSTMOROJTOLD-ZCFIWIBFSA-N	-1	0	258.328	0.852	20	30		CCEDRM
C[C@@H](C#N)S(=O)(=O)[N-]c1sccc1C(N)=O	ZINC001193106847	900031651	/nfs/dbraw/zinc/03/16/51/900031651.db2.gz	YQHGWUBLBRNVPQ-YFKPBYRVSA-N	-1	0	259.312	0.501	20	30		CCEDRM
CC(C)CCN(CCC#N)C(=O)c1n[nH]c(=O)[n-]c1=O	ZINC001411765343	901241234	/nfs/dbraw/zinc/24/12/34/901241234.db2.gz	VSIMGVYADUQKIS-UHFFFAOYSA-N	-1	0	279.300	0.685	20	30		CCEDRM
COC(=O)[C@H]1C[C@@H](NC(=O)c2[n-]c(=O)c(C#N)cc2C)C1	ZINC001412238898	901587093	/nfs/dbraw/zinc/58/70/93/901587093.db2.gz	CVOVPBZMDTZKPV-WAAGHKOSSA-N	-1	0	289.291	0.649	20	30		CCEDRM
N#Cc1ccc(C(=O)N2CC[C@H](c3nnn[n-]3)C2)cc1O	ZINC001412494166	901768600	/nfs/dbraw/zinc/76/86/00/901768600.db2.gz	XMDZPFYXPDOHGR-JTQLQIEISA-N	-1	0	284.279	0.407	20	30		CCEDRM
COC[C@H](NC(=O)c1sccc1C#N)c1nnn[n-]1	ZINC001412613454	901868464	/nfs/dbraw/zinc/86/84/64/901868464.db2.gz	UPAYBNSKRAGBDY-ZETCQYMHSA-N	-1	0	278.297	0.250	20	30		CCEDRM
N#CCCCCC(=O)[N-]S(=O)(=O)c1cncc(C#N)c1	ZINC001327098430	902031603	/nfs/dbraw/zinc/03/16/03/902031603.db2.gz	XYHPAGFJVDXAOJ-UHFFFAOYSA-N	-1	0	292.320	0.842	20	30		CCEDRM
N#Cc1cn(CC(=O)N[C@@H]2CCC[C@H](F)C2)c(=O)[n-]c1=O	ZINC001413176422	902761568	/nfs/dbraw/zinc/76/15/68/902761568.db2.gz	DNEDXENVICSCTQ-VHSXEESVSA-N	-1	0	294.286	0.217	20	30		CCEDRM
CCn1[nH]c(C)nc1=NC(=O)c1ccc(C#N)c([O-])c1	ZINC001413224278	902795615	/nfs/dbraw/zinc/79/56/15/902795615.db2.gz	QPCBSCGSJZUWDO-UHFFFAOYSA-N	-1	0	271.280	0.858	20	30		CCEDRM
CC[C@H](NC(=O)CCn1cc(C#N)c(=O)[n-]c1=O)C1CC1	ZINC001413274319	902837027	/nfs/dbraw/zinc/83/70/27/902837027.db2.gz	XAQJIICZGGGFCV-NSHDSACASA-N	-1	0	290.323	0.515	20	30		CCEDRM
Cn1nnc([N-]S(=O)(=O)Cc2cc(C#N)ccc2F)n1	ZINC001413432465	902947986	/nfs/dbraw/zinc/94/79/86/902947986.db2.gz	UFVUTQSCGMOXNQ-UHFFFAOYSA-N	-1	0	296.287	0.163	20	30		CCEDRM
N#CCOc1ccc(NC(=O)C(=O)[N-]OCC2CC2)cc1	ZINC001327847646	914810594	/nfs/dbraw/zinc/81/05/94/914810594.db2.gz	AGYLNGKVAZOFRC-UHFFFAOYSA-N	-1	0	289.291	0.985	20	30		CCEDRM
C=C(CO)C(=O)Nc1ccc(OCc2nnn[n-]2)cc1	ZINC001293574746	906495321	/nfs/dbraw/zinc/49/53/21/906495321.db2.gz	OJLAVWWPSUSKHV-UHFFFAOYSA-N	-1	0	275.268	0.266	20	30		CCEDRM
C[C@]1(C(=O)Nc2cc(C#N)ccc2[O-])CCNC1=O	ZINC001295828101	906807629	/nfs/dbraw/zinc/80/76/29/906807629.db2.gz	MAQNFXXUHFOUJM-ZDUSSCGKSA-N	-1	0	259.265	0.729	20	30		CCEDRM
O=C(N[C@H]1CCN(O)C1=O)c1c(F)cccc1[N+](=O)[O-]	ZINC001298425234	907239272	/nfs/dbraw/zinc/23/92/72/907239272.db2.gz	IVIGXGNZULJPRT-ZETCQYMHSA-N	-1	0	283.215	0.454	20	30		CCEDRM
C=C1CCC(C(=O)[N-]S(=O)(=O)c2cn(C)cn2)CC1	ZINC001338088931	921367554	/nfs/dbraw/zinc/36/75/54/921367554.db2.gz	CGNBGQDYMHCZFT-UHFFFAOYSA-N	-1	0	283.353	0.971	20	30		CCEDRM
N#Cc1cccc(ONC(=O)c2c[n-]ncc2=O)c1	ZINC001302374071	908017337	/nfs/dbraw/zinc/01/73/37/908017337.db2.gz	RLMCYFUJNLLWOS-UHFFFAOYSA-N	-1	0	256.221	0.778	20	30		CCEDRM
O=C(C#Cc1cccs1)NC1(c2nnn[n-]2)CCC1	ZINC001303221964	908068298	/nfs/dbraw/zinc/06/82/98/908068298.db2.gz	OCHHRKIRSHRLRO-UHFFFAOYSA-N	-1	0	273.321	0.808	20	30		CCEDRM
N#Cc1c[n-]c(=O)n(Cc2noc(-c3ccccc3)n2)c1=O	ZINC001307359668	908307401	/nfs/dbraw/zinc/30/74/01/908307401.db2.gz	NVLZPQNDSWGPKL-UHFFFAOYSA-N	-1	0	295.258	0.507	20	30		CCEDRM
C=CCCCC(=O)N[C@H]1CCN(Cc2n[nH]c(=O)[n-]2)[C@@H]1C	ZINC001316790734	908771749	/nfs/dbraw/zinc/77/17/49/908771749.db2.gz	KXHSLEWGVMYAAQ-MNOVXSKESA-N	-1	0	293.371	0.946	20	30		CCEDRM
Cc1[nH]nc(C(=O)N2CCC[C@H](CNCC#N)C2)c1[O-]	ZINC001317143091	909011487	/nfs/dbraw/zinc/01/14/87/909011487.db2.gz	IBUSGIRAAVGJEA-SNVBAGLBSA-N	-1	0	277.328	0.389	20	30		CCEDRM
C#C[C@@H]1CCCN(c2nnc(-c3cnc[nH]c3=O)n2C)C1	ZINC001338521711	921497530	/nfs/dbraw/zinc/49/75/30/921497530.db2.gz	ZOKYWRZOSAPIAS-SNVBAGLBSA-N	-1	0	284.323	0.827	20	30		CCEDRM
CCS(=O)(=O)CC(C)N=Nc1nnc(C)c(=O)[n-]1	ZINC001318486917	909780069	/nfs/dbraw/zinc/78/00/69/909780069.db2.gz	KXYHBLXANHARHV-UHFFFAOYSA-N	-1	0	273.318	0.108	20	30		CCEDRM
N#Cc1cccc(C2(C(=O)[N-]OCC(N)=O)CC2)c1	ZINC001319783833	910295356	/nfs/dbraw/zinc/29/53/56/910295356.db2.gz	HMHRKISBFKMYRY-UHFFFAOYSA-N	-1	0	259.265	0.123	20	30		CCEDRM
Cc1ccc(C=Nn2c(=O)c(C)n[n-]c2=S)cn1	ZINC001320242333	910552927	/nfs/dbraw/zinc/55/29/27/910552927.db2.gz	ONZFCJSSVBANKV-UHFFFAOYSA-N	-1	0	261.310	0.821	20	30		CCEDRM
C=CCOc1cccnc1C(=O)[N-]S(=O)(=O)C(F)F	ZINC001320609981	910762633	/nfs/dbraw/zinc/76/26/33/910762633.db2.gz	LLILWEZVFYIHQB-UHFFFAOYSA-N	-1	0	292.263	0.929	20	30		CCEDRM
C=C[C@H](COC)NC(=O)C(C)(C)[N-]C(=O)C(F)(F)F	ZINC001339042295	921632532	/nfs/dbraw/zinc/63/25/32/921632532.db2.gz	ARXGXVSOEMTIBP-SSDOTTSWSA-N	-1	0	282.262	0.761	20	30		CCEDRM
C=CC[C@@H](NC(=O)[C@H](NC(C)=O)C1CCCC1)C(=O)[O-]	ZINC001321202812	911159406	/nfs/dbraw/zinc/15/94/06/911159406.db2.gz	DXNUMFZXZSILMD-VXGBXAGGSA-N	-1	0	282.340	0.827	20	30		CCEDRM
Cc1ccc(C(=O)NCc2nc(=O)o[n-]2)cc1C#N	ZINC001321674700	911440011	/nfs/dbraw/zinc/44/00/11/911440011.db2.gz	RAGAFXKCTFTJDL-UHFFFAOYSA-N	-1	0	258.237	0.473	20	30		CCEDRM
C=CC[C@H](NS(=O)(=O)C[C@H](C)OC)C(=O)OCC	ZINC001321679860	911443501	/nfs/dbraw/zinc/44/35/01/911443501.db2.gz	PRNAIPBZFPOQKE-UWVGGRQHSA-N	-1	0	279.358	0.449	20	30		CCEDRM
CO[C@H](C)C(=O)[N-]S(=O)(=O)c1ccccc1C#N	ZINC001321864664	911536568	/nfs/dbraw/zinc/53/65/68/911536568.db2.gz	BLDLGRCTIQTZLM-MRVPVSSYSA-N	-1	0	268.294	0.398	20	30		CCEDRM
CS(=O)(=O)c1nc(NC(=O)CCCCCC#N)n[n-]1	ZINC001328989770	915571681	/nfs/dbraw/zinc/57/16/81/915571681.db2.gz	UPYLNRDDCVHPME-UHFFFAOYSA-N	-1	0	285.329	0.621	20	30		CCEDRM
N#CCCC[C@H]([NH3+])C(=O)N1CCC[C@H](c2n[nH]c(=O)[n-]2)C1	ZINC001329287463	915793355	/nfs/dbraw/zinc/79/33/55/915793355.db2.gz	LNNFTTNAUKIBAK-UWVGGRQHSA-N	-1	0	292.343	0.237	20	30		CCEDRM
C=CCn1cc(C(=O)NCCc2n[n-]c(=S)o2)nn1	ZINC001329543675	915998657	/nfs/dbraw/zinc/99/86/57/915998657.db2.gz	XIMXUKCGTGGYGY-UHFFFAOYSA-N	-1	0	280.313	0.108	20	30		CCEDRM
N#CCn1cc(NC(=O)C(=O)[N-]OCC2CCC2)cn1	ZINC001330504462	916668940	/nfs/dbraw/zinc/66/89/40/916668940.db2.gz	DPWDMVWPVPBVAH-UHFFFAOYSA-N	-1	0	277.284	0.193	20	30		CCEDRM
C#CCO[C@H](C)C(=O)[N-]S(=O)(=O)c1ccc(C)nc1	ZINC001330732496	916820640	/nfs/dbraw/zinc/82/06/40/916820640.db2.gz	OBTIDWVUXATBBF-SNVBAGLBSA-N	-1	0	282.321	0.233	20	30		CCEDRM
C=CC[C@H](NC(=O)NCc1cnc(N(C)C)n1C)C(=O)[O-]	ZINC001332132497	917888710	/nfs/dbraw/zinc/88/87/10/917888710.db2.gz	REFXERZYQXLHBM-JTQLQIEISA-N	-1	0	295.343	0.315	20	30		CCEDRM
C=CC[C@H](NC(=O)NCCC1(O)CCC1)C(=O)[O-]	ZINC001332133162	917889065	/nfs/dbraw/zinc/88/90/65/917889065.db2.gz	VEVRHJDWVHLHJZ-VIFPVBQESA-N	-1	0	256.302	0.620	20	30		CCEDRM
C=CC[C@H](NC(=O)c1cnc2n1CCOC2)C(=O)[O-]	ZINC001332135958	917895199	/nfs/dbraw/zinc/89/51/99/917895199.db2.gz	MXUWPROWFWNTLM-QMMMGPOBSA-N	-1	0	265.269	0.172	20	30		CCEDRM
C=CC[C@H](NS(=O)(=O)C[C@H](OC)C1CC1)C(=O)[O-]	ZINC001332138243	917900339	/nfs/dbraw/zinc/90/03/39/917900339.db2.gz	XPFLZZAOOKGRRB-UWVGGRQHSA-N	-1	0	277.342	0.360	20	30		CCEDRM
C=CCC[C@H](NC(=O)c1c(C)cnn1C)C(=O)[O-]	ZINC001332172376	917931343	/nfs/dbraw/zinc/93/13/43/917931343.db2.gz	NDBFUOULHIGCHS-VIFPVBQESA-N	-1	0	251.286	0.878	20	30		CCEDRM
Cc1n[nH]c(C(=O)N[C@H]2CC[C@@H](CNCC#N)C2)c1[O-]	ZINC001332253163	917994664	/nfs/dbraw/zinc/99/46/64/917994664.db2.gz	KVHHAJVJPKZETF-ZJUUUORDSA-N	-1	0	277.328	0.435	20	30		CCEDRM
C=CCN(CC(=O)[O-])Cc1ccnn1CCCOC	ZINC001332419710	918141754	/nfs/dbraw/zinc/14/17/54/918141754.db2.gz	FEUFDAIFQIFQQY-UHFFFAOYSA-N	-1	0	267.329	0.992	20	30		CCEDRM
C=C[C@@H](C)O[N-]C(=O)C(=O)Nc1c(C)ccn(C)c1=O	ZINC001332629056	918329379	/nfs/dbraw/zinc/32/93/79/918329379.db2.gz	YYXDPTIMQGSUFW-SECBINFHSA-N	-1	0	279.296	0.255	20	30		CCEDRM
C=CC[C@@H](NC(=O)NCCc1cncc(C)n1)C(=O)[O-]	ZINC001333146464	918685480	/nfs/dbraw/zinc/68/54/80/918685480.db2.gz	WROUSPKHACKMTN-LLVKDONJSA-N	-1	0	278.312	0.656	20	30		CCEDRM
C#CC[C@H](NC(=O)CN(C)Cc1ccccc1)C(=O)[O-]	ZINC001334201814	919421519	/nfs/dbraw/zinc/42/15/19/919421519.db2.gz	JSSZSDSJTLVKKV-ZDUSSCGKSA-N	-1	0	274.320	0.711	20	30		CCEDRM
C#CCN1CCC[C@H]1C(=O)NC[C@@]1(C(=O)[O-])CCCOC1	ZINC001334206522	919425081	/nfs/dbraw/zinc/42/50/81/919425081.db2.gz	WDCQBKDVJDNVMX-WFASDCNBSA-N	-1	0	294.351	0.082	20	30		CCEDRM
C=CCOC[C@H](NC(=O)c1ncc(C)cc1OC)C(=O)[O-]	ZINC001334981042	919881307	/nfs/dbraw/zinc/88/13/07/919881307.db2.gz	OMAMEQMFNBBPDE-JTQLQIEISA-N	-1	0	294.307	0.784	20	30		CCEDRM
CC[C@H](CSC)Nc1[n-]c(=O)n(C)c(=O)c1C#N	ZINC001336579554	920851825	/nfs/dbraw/zinc/85/18/25/920851825.db2.gz	WTFCAVKXIWSION-SSDOTTSWSA-N	-1	0	268.342	0.499	20	30		CCEDRM
CC[C@@H](CSC)Nc1[n-]c(=O)n(C)c(=O)c1C#N	ZINC001336579555	920851976	/nfs/dbraw/zinc/85/19/76/920851976.db2.gz	WTFCAVKXIWSION-ZETCQYMHSA-N	-1	0	268.342	0.499	20	30		CCEDRM
Cn1c(=O)[n-]c(N2C[C@@H]3CCC[C@@H]3C2)c(C#N)c1=O	ZINC001336728829	920958456	/nfs/dbraw/zinc/95/84/56/920958456.db2.gz	GCPGMYBCGCGKFY-DTORHVGOSA-N	-1	0	260.297	0.182	20	30		CCEDRM
CC[C@H](C)CCNc1[n-]c(=O)n(C)c(=O)c1C#N	ZINC001339769017	921823062	/nfs/dbraw/zinc/82/30/62/921823062.db2.gz	DJVLMSBEUNEGTL-QMMMGPOBSA-N	-1	0	250.302	0.793	20	30		CCEDRM
N#C[C@@]1(C(=O)N2CCC(c3nnn[n-]3)CC2)CCCOC1	ZINC001418996535	922555409	/nfs/dbraw/zinc/55/54/09/922555409.db2.gz	CDQGXBWKWIIIPN-ZDUSSCGKSA-N	-1	0	290.327	0.226	20	30		CCEDRM
N#Cc1ccc(C(=O)NC2(c3nnn[n-]3)CCC2)cc1O	ZINC001419164178	922681807	/nfs/dbraw/zinc/68/18/07/922681807.db2.gz	RWAPFGFJEXPANL-UHFFFAOYSA-N	-1	0	284.279	0.586	20	30		CCEDRM
COCCCNC(=O)C(C#N)=C([O-])c1c(C)cnn1C	ZINC001341917044	922723509	/nfs/dbraw/zinc/72/35/09/922723509.db2.gz	DXBIFJKVPNMCGK-JTQLQIEISA-N	-1	0	278.312	0.204	20	30		CCEDRM
Cn1ccnc1C([O-])=C(C#N)C(=O)CCc1ccnn1C	ZINC001342589465	923017683	/nfs/dbraw/zinc/01/76/83/923017683.db2.gz	CXMVJFMSIGWSJE-NSHDSACASA-N	-1	0	285.307	0.678	20	30		CCEDRM
C#C[C@@H](NC(=O)N(C)CCCC(=O)[O-])[C@H]1CCCO1	ZINC001342699521	923056066	/nfs/dbraw/zinc/05/60/66/923056066.db2.gz	IMSAYJAPKJDIAN-GHMZBOCLSA-N	-1	0	268.313	0.673	20	30		CCEDRM
C#C[C@@H](NC(=O)N(C)CCCC(=O)[O-])[C@@H]1CCCO1	ZINC001342699524	923058353	/nfs/dbraw/zinc/05/83/53/923058353.db2.gz	IMSAYJAPKJDIAN-MNOVXSKESA-N	-1	0	268.313	0.673	20	30		CCEDRM
Cn1ccnc1C([O-])=C(C#N)C(=O)[C@H]1CCC(=O)C1	ZINC001343385174	923293174	/nfs/dbraw/zinc/29/31/74/923293174.db2.gz	JPELQDHPZJOTOU-WPRPVWTQSA-N	-1	0	259.265	0.681	20	30		CCEDRM
C[C@]1(C#N)CN(C(=O)c2ccc3oc(=O)nc-3[n-]2)CCO1	ZINC001420292985	923514583	/nfs/dbraw/zinc/51/45/83/923514583.db2.gz	VPMKXOQASYUPOB-ZDUSSCGKSA-N	-1	0	288.263	0.683	20	30		CCEDRM
Cn1ccnc1C([O-])=C(C#N)C(=O)COCc1ccccn1	ZINC001344045525	923536251	/nfs/dbraw/zinc/53/62/51/923536251.db2.gz	UVOFYOYZMINPCG-GFCCVEGCSA-N	-1	0	298.302	0.923	20	30		CCEDRM
C#CC[C@H](NC(=O)[C@]1([C@H]2CCCCO2)CCCO1)C(=O)[O-]	ZINC001345123739	923799331	/nfs/dbraw/zinc/79/93/31/923799331.db2.gz	XFLQAOKSUDKFGT-YWPYICTPSA-N	-1	0	295.335	0.697	20	30		CCEDRM
C=CCCn1cc(C(=O)N2CC[C@@H]([C@H](F)C(=O)[O-])C2)nn1	ZINC001347563277	924480521	/nfs/dbraw/zinc/48/05/21/924480521.db2.gz	PHIBBFYMVRAYOP-KOLCDFICSA-N	-1	0	296.302	0.739	20	30		CCEDRM
C#CCSCC(=O)N1CCC[C@@H](Cc2nnn[n-]2)C1	ZINC001347659757	924505360	/nfs/dbraw/zinc/50/53/60/924505360.db2.gz	IHNLEHJPTGCKAX-JTQLQIEISA-N	-1	0	279.369	0.347	20	30		CCEDRM
C#CCSCC(=O)NC(C)(C)c1ncc(OC)c(=O)[nH]1	ZINC001349448270	924962497	/nfs/dbraw/zinc/96/24/97/924962497.db2.gz	YWAHCVJLQANGKA-UHFFFAOYSA-N	-1	0	295.364	0.909	20	30		CCEDRM
C=CC[C@H](NC(=O)Cc1[nH]nc2c1CCCC2)C(=O)[O-]	ZINC001350769592	925274755	/nfs/dbraw/zinc/27/47/55/925274755.db2.gz	UKYWXVFLCBSVGK-NSHDSACASA-N	-1	0	277.324	0.977	20	30		CCEDRM
CC#CCN(C)C(=O)C(=O)N1C[C@@H](C(=O)[O-])[C@H](C2CC2)C1	ZINC001350975308	925327025	/nfs/dbraw/zinc/32/70/25/925327025.db2.gz	IZNGCLOAENTZFN-NWDGAFQWSA-N	-1	0	292.335	0.037	20	30		CCEDRM
CCOC(=O)c1n[nH]c(CNC(=O)[C@](C)(C#N)CC)n1	ZINC001413849186	925623789	/nfs/dbraw/zinc/62/37/89/925623789.db2.gz	LKLRCNSZXHMXSY-LBPRGKRZSA-N	-1	0	279.300	0.537	20	30		CCEDRM
C=CC[C@H](NC(=O)C[C@H](C)n1cccn1)C(=O)[O-]	ZINC001354047094	925996119	/nfs/dbraw/zinc/99/61/19/925996119.db2.gz	LROZLMWPFJZXKS-UWVGGRQHSA-N	-1	0	251.286	0.980	20	30		CCEDRM
C#C[C@H]1CCCN(C(=O)NCCOCCOCC(=O)[O-])C1	ZINC001357183873	926494176	/nfs/dbraw/zinc/49/41/76/926494176.db2.gz	OPKKEYJIRFMHEE-LBPRGKRZSA-N	-1	0	298.339	0.159	20	30		CCEDRM
C=CC[C@@H](NC(=O)c1ccc2n[nH]nc2c1)C(=O)[O-]	ZINC000150038236	926948214	/nfs/dbraw/zinc/94/82/14/926948214.db2.gz	HLCHEUXLDXIIKX-SECBINFHSA-N	-1	0	260.253	0.717	20	30		CCEDRM
Cc1cc(C#N)c(=O)[n-]c1C(=O)NCc1nccn1C	ZINC001361910473	927439311	/nfs/dbraw/zinc/43/93/11/927439311.db2.gz	FAPRAOJHNLCOPW-UHFFFAOYSA-N	-1	0	271.280	0.631	20	30		CCEDRM
Cc1cc(C#N)c(=O)[n-]c1C(=O)N[C@@H](C)Cn1cccn1	ZINC001362039535	927544707	/nfs/dbraw/zinc/54/47/07/927544707.db2.gz	BAMRORJEFFAQCI-JTQLQIEISA-N	-1	0	285.307	0.982	20	30		CCEDRM
CC1(C)CCC[C@H]1NC(=O)Cn1cc(C#N)c(=O)[n-]c1=O	ZINC001362048996	927557382	/nfs/dbraw/zinc/55/73/82/927557382.db2.gz	PNHYMAHRHCAQQC-SNVBAGLBSA-N	-1	0	290.323	0.515	20	30		CCEDRM
CC[C@@H]1CCC[C@H]1NC(=O)Cn1cc(C#N)c(=O)[n-]c1=O	ZINC001362226592	927749126	/nfs/dbraw/zinc/74/91/26/927749126.db2.gz	RVBXAXDCPIQNRQ-MWLCHTKSSA-N	-1	0	290.323	0.515	20	30		CCEDRM
Cc1ncccc1NC(=O)CCn1cc(C#N)c(=O)[n-]c1=O	ZINC001362294826	927837240	/nfs/dbraw/zinc/83/72/40/927837240.db2.gz	DBDANMXMDWFCEP-UHFFFAOYSA-N	-1	0	299.290	0.553	20	30		CCEDRM
Cc1cc(C#N)c(=O)[n-]c1C(=O)NC1(CO)CCOCC1	ZINC001362371343	927936835	/nfs/dbraw/zinc/93/68/35/927936835.db2.gz	ACMPVHLEGPUKLG-UHFFFAOYSA-N	-1	0	291.307	0.239	20	30		CCEDRM
CC1(C)C(NC(=O)Cn2cc(C#N)c(=O)[n-]c2=O)C1(C)C	ZINC001362425126	928002202	/nfs/dbraw/zinc/00/22/02/928002202.db2.gz	LEYSLUDWIROSPB-UHFFFAOYSA-N	-1	0	290.323	0.371	20	30		CCEDRM
Cc1cc(C#N)c(=O)[n-]c1C(=O)N[C@H]1C(=O)NCC[C@@H]1C	ZINC001362434246	928013616	/nfs/dbraw/zinc/01/36/16/928013616.db2.gz	GPATUEKTGZFHNH-OIBJUYFYSA-N	-1	0	288.307	0.222	20	30		CCEDRM
COCC[C@H](COC)NC(=O)c1[n-]c(=O)c(C#N)cc1C	ZINC001362521989	928130500	/nfs/dbraw/zinc/13/05/00/928130500.db2.gz	YAGCQGSCPJXFFN-LLVKDONJSA-N	-1	0	293.323	0.749	20	30		CCEDRM
N#Cc1cn(CCC(=O)NC2(C(F)F)CC2)c(=O)[n-]c1=O	ZINC001362557752	928174860	/nfs/dbraw/zinc/17/48/60/928174860.db2.gz	AVLIAOFOKJNXAL-UHFFFAOYSA-N	-1	0	298.249	0.125	20	30		CCEDRM
Cc1cc(C#N)c(=O)[n-]c1C(=O)N1C[C@@H]2C(=O)OC[C@@H]2C1	ZINC001362748980	928444421	/nfs/dbraw/zinc/44/44/21/928444421.db2.gz	FDQGKLXUDNIXDU-UWVGGRQHSA-N	-1	0	287.275	0.212	20	30		CCEDRM
Cc1nn(C)cc1[C@@H](C)Nc1[n-]c(=O)n(C)c(=O)c1C#N	ZINC001363138132	928908904	/nfs/dbraw/zinc/90/89/04/928908904.db2.gz	RAFAVCMCTRGSRP-SSDOTTSWSA-N	-1	0	288.311	0.160	20	30		CCEDRM
N#Cc1c[n-]n2c1nc(CN1CC(=O)N(C3CC3)C1)cc2=O	ZINC001363234536	929008463	/nfs/dbraw/zinc/00/84/63/929008463.db2.gz	RHCWKUSKWPAUBB-UHFFFAOYSA-N	-1	0	298.306	0.071	20	30		CCEDRM
Cc1cc(C#N)c(=O)[n-]c1C(=O)N[C@@H](C(N)=O)C(C)C	ZINC001363372875	929159790	/nfs/dbraw/zinc/15/97/90/929159790.db2.gz	CRLDUODQKQNVER-SECBINFHSA-N	-1	0	276.296	0.207	20	30		CCEDRM
N#Cc1ccc(C(=O)N2CCC[C@H](Cc3nnn[n-]3)C2)o1	ZINC001363437188	929230112	/nfs/dbraw/zinc/23/01/12/929230112.db2.gz	UCAAEXSTZUMWGZ-SECBINFHSA-N	-1	0	286.295	0.759	20	30		CCEDRM
C[C@@H](NC(=O)[C@@H](C)n1cnc(C#N)n1)c1nn(C)cc1[O-]	ZINC001363664243	929467000	/nfs/dbraw/zinc/46/70/00/929467000.db2.gz	JWUQMSUSFSJLAM-HTQZYQBOSA-N	-1	0	289.299	0.027	20	30		CCEDRM
C[C@@H]1CN(Cc2cc(=O)n3[n-]cc(C#N)c3n2)CCC1=O	ZINC001363788792	929573779	/nfs/dbraw/zinc/57/37/79/929573779.db2.gz	HGGOZVSKPVKZJQ-SECBINFHSA-N	-1	0	285.307	0.717	20	30		CCEDRM
N#Cc1ccc([C@H](C(N)=O)N2CC[C@H](c3nn[nH]n3)C2)cc1	ZINC001363812870	929601435	/nfs/dbraw/zinc/60/14/35/929601435.db2.gz	CITICXUCIHXTIR-NWDGAFQWSA-N	-1	0	297.322	0.087	20	30		CCEDRM
N#CCc1ccccc1C(=O)NCc1n[nH]c(=O)[n-]1	ZINC001445412957	930127269	/nfs/dbraw/zinc/12/72/69/930127269.db2.gz	JHGCYNKVMBDRTL-UHFFFAOYSA-N	-1	0	257.253	0.506	20	30		CCEDRM
C#CCO[C@@H](C)C(=O)Nc1ccc(-n2nn[n-]c2=O)cc1	ZINC001447735792	930691529	/nfs/dbraw/zinc/69/15/29/930691529.db2.gz	RXYOADNSDLXZHP-VIFPVBQESA-N	-1	0	287.279	0.345	20	30		CCEDRM
Cn1nc(C(=O)[O-])cc1C(=O)N1CCC(CC#N)CC1	ZINC001601000770	970899380	/nfs/dbraw/zinc/89/93/80/970899380.db2.gz	ILOIHGWBHYPVRE-UHFFFAOYSA-N	-1	0	276.296	0.884	20	30		CCEDRM
Cn1nccc1[C@H](NC(=O)c1cc(C#N)ccn1)C(=O)[O-]	ZINC001601034210	970916299	/nfs/dbraw/zinc/91/62/99/970916299.db2.gz	MHBITNMTZYAFMT-NSHDSACASA-N	-1	0	285.263	0.242	20	30		CCEDRM
N#Cc1ccsc1C(=O)NCCOCC(=O)[O-]	ZINC001601129541	970940328	/nfs/dbraw/zinc/94/03/28/970940328.db2.gz	IZCOOVUQOQBDSS-UHFFFAOYSA-N	-1	0	254.267	0.451	20	30		CCEDRM
C#C[C@@H](CO)NC(=O)C1(C(=O)[O-])CCCCCC1	ZINC001602671256	971233027	/nfs/dbraw/zinc/23/30/27/971233027.db2.gz	AGRSUYBRVNGHLJ-JTQLQIEISA-N	-1	0	253.298	0.522	20	30		CCEDRM
C#CCC(C)(C)C(=O)N1C[C@@H]2COC[C@]2(C(=O)[O-])C1	ZINC001602674957	971244562	/nfs/dbraw/zinc/24/45/62/971244562.db2.gz	HDTNDVOJXLCNMP-QMTHXVAHSA-N	-1	0	265.309	0.596	20	30		CCEDRM
C#CCCN(CN1C[C@@H](C(=O)[O-])CC1=O)CC(F)(F)F	ZINC001602675638	971251925	/nfs/dbraw/zinc/25/19/25/971251925.db2.gz	GAAHOPVDXSPRDS-VIFPVBQESA-N	-1	0	292.257	0.765	20	30		CCEDRM
C#CCN(CC(=O)[O-])C(=O)CCCC(=O)N(CC)CC	ZINC001602681927	971264532	/nfs/dbraw/zinc/26/45/32/971264532.db2.gz	CABPTGANQWPFHW-UHFFFAOYSA-N	-1	0	282.340	0.572	20	30		CCEDRM
C#CCN(CC(=O)[O-])C(=O)N[C@@H](C)c1nc(C)no1	ZINC001602684386	971280789	/nfs/dbraw/zinc/28/07/89/971280789.db2.gz	ZKVYXMOGVGOYLW-ZETCQYMHSA-N	-1	0	266.257	0.168	20	30		CCEDRM
C#CCN(CC(=O)[O-])C(=O)NCCc1ccc(C#N)cc1	ZINC001602685860	971283111	/nfs/dbraw/zinc/28/31/11/971283111.db2.gz	IIZXISQZSWOLDX-UHFFFAOYSA-N	-1	0	285.303	0.830	20	30		CCEDRM
C#CCN(CC(=O)[O-])C(=O)Nc1ccc(C(N)=O)cc1F	ZINC001602688571	971291758	/nfs/dbraw/zinc/29/17/58/971291758.db2.gz	QDBYTBCCZDZZPF-UHFFFAOYSA-N	-1	0	293.254	0.476	20	30		CCEDRM
C#CCN(CC(=O)[O-])C(=O)c1cccc(SC)n1	ZINC001602692281	971302172	/nfs/dbraw/zinc/30/21/72/971302172.db2.gz	JMBNMJJGGLULSI-UHFFFAOYSA-N	-1	0	264.306	0.964	20	30		CCEDRM
C#CCN(CC(=O)[O-])C[C@@H](O)C[C@@H](O)c1ccccc1	ZINC001602695784	971312685	/nfs/dbraw/zinc/31/26/85/971312685.db2.gz	SMRUFQYHABDJFD-UONOGXRCSA-N	-1	0	277.320	0.491	20	30		CCEDRM
C#CCN(CC(=O)[O-])c1nnc(C)n1C[C@H]1CCCCO1	ZINC001602700965	971323696	/nfs/dbraw/zinc/32/36/96/971323696.db2.gz	QCSHVBSQIDCOCV-GFCCVEGCSA-N	-1	0	292.339	0.680	20	30		CCEDRM
C=C(C)CCNC(=O)C(=O)Nc1cncc(C(=O)[O-])c1	ZINC001602709917	971349155	/nfs/dbraw/zinc/34/91/55/971349155.db2.gz	LGMXAIWXMURJJN-UHFFFAOYSA-N	-1	0	277.280	0.801	20	30		CCEDRM
C=C(C)COCCNC(=O)C1(CC(=O)[O-])CCOCC1	ZINC001602710292	971350934	/nfs/dbraw/zinc/35/09/34/971350934.db2.gz	UFZPIHBMNHWZCC-UHFFFAOYSA-N	-1	0	285.340	0.967	20	30		CCEDRM
C=C(C)Cn1c(CO)nnc1N1CC[C@H](C(=O)[O-])[C@H](C)C1	ZINC001602711923	971352149	/nfs/dbraw/zinc/35/21/49/971352149.db2.gz	BEVPPEINAHLAPM-MNOVXSKESA-N	-1	0	294.355	0.894	20	30		CCEDRM
C=C[C@@](C)(O)C(=O)NC[C@H]1CCC2(CC(C(=O)[O-])C2)O1	ZINC001602717333	971366173	/nfs/dbraw/zinc/36/61/73/971366173.db2.gz	IWXDPSCUUZJXTA-GAZZVSFRSA-N	-1	0	283.324	0.452	20	30		CCEDRM
C=C[C@@H](O)C(=O)N[C@@H](C(=O)[O-])c1ccc(F)cc1	ZINC001602717500	971368303	/nfs/dbraw/zinc/36/83/03/971368303.db2.gz	PBQBDTQXMOICPE-NXEZZACHSA-N	-1	0	253.229	0.615	20	30		CCEDRM
C=CCCc1noc([C@H]2CCCN(CC(=O)[O-])C2=O)n1	ZINC001602722042	971385911	/nfs/dbraw/zinc/38/59/11/971385911.db2.gz	RQQVQKUEETUVBA-SECBINFHSA-N	-1	0	279.296	0.979	20	30		CCEDRM
C=CCNC(=O)[C@@H](C)OC(=O)[C@@H](C(=O)[O-])C(C)C	ZINC001602723018	971392325	/nfs/dbraw/zinc/39/23/25/971392325.db2.gz	IIGYMIVKYORSHJ-RKDXNWHRSA-N	-1	0	257.286	0.577	20	30		CCEDRM
CC#CC(=O)N1C[C@@H](C(=O)[O-])C2(CC(C(=O)OC)C2)C1	ZINC001602734979	971414621	/nfs/dbraw/zinc/41/46/21/971414621.db2.gz	GRXVHARSBDJXGC-XIRUVYRFSA-N	-1	0	279.292	0.122	20	30		CCEDRM
C[C@](C#N)(CC(=O)[O-])C(=O)OCC(=O)[C@@H]1CCOC1	ZINC001602782557	971529645	/nfs/dbraw/zinc/52/96/45/971529645.db2.gz	WBBNXNSPKVGAMC-PRHODGIISA-N	-1	0	269.253	0.140	20	30		CCEDRM
C[C@@H](C#N)OCCOC(=O)C1(CC(=O)[O-])CCOCC1	ZINC001602786355	971533285	/nfs/dbraw/zinc/53/32/85/971533285.db2.gz	MWARZIFDCXJAPH-JTQLQIEISA-N	-1	0	285.296	0.730	20	30		CCEDRM
C[C@H](C#N)COC(=O)[C@H]1CCCN(CC(=O)[O-])C1=O	ZINC001602786327	971533478	/nfs/dbraw/zinc/53/34/78/971533478.db2.gz	LHOFVVSTGLZLPD-BDAKNGLRSA-N	-1	0	268.269	0.012	20	30		CCEDRM
C#CCN(CC(=O)[O-])C(=O)c1cccc(OC)c1O	ZINC000092476617	949144664	/nfs/dbraw/zinc/14/46/64/949144664.db2.gz	NSWDLRFOFRBQJR-UHFFFAOYSA-N	-1	0	263.249	0.561	20	30		CCEDRM
C#CCN(CC(=O)[O-])C(=O)c1ccc(Cl)cn1	ZINC000092478646	949149103	/nfs/dbraw/zinc/14/91/03/949149103.db2.gz	CHWBTATWLLEFRJ-UHFFFAOYSA-N	-1	0	252.657	0.895	20	30		CCEDRM
C#CCN(CC(=O)[O-])C(=O)NC[C@]1(C)CCCO1	ZINC000094807402	949185389	/nfs/dbraw/zinc/18/53/89/949185389.db2.gz	ZGOGDABGDSICBG-LBPRGKRZSA-N	-1	0	254.286	0.285	20	30		CCEDRM
CC(C)(C)[C@H](C(=O)[O-])C(=O)N1CC[C@](O)(CC#N)C1	ZINC001602847477	971683184	/nfs/dbraw/zinc/68/31/84/971683184.db2.gz	MPTKDGCMGNTJGT-TVQRCGJNSA-N	-1	0	268.313	0.610	20	30		CCEDRM
C=CCCC[C@@H](C)NC(=O)c1cn(CC(=O)[O-])nn1	ZINC000398192459	951585176	/nfs/dbraw/zinc/58/51/76/951585176.db2.gz	AYBDSSUFHYCRPA-SECBINFHSA-N	-1	0	266.301	0.837	20	30		CCEDRM
CC[C@@H](NS(=O)(=O)c1ccccc1CC#N)C(=O)[O-]	ZINC001593607024	953437563	/nfs/dbraw/zinc/43/75/63/953437563.db2.gz	MXVLHQTUKYOEMW-SNVBAGLBSA-N	-1	0	282.321	0.894	20	30		CCEDRM
C[C@@H]1CC[C@@H](C(=O)[O-])CN1Cn1cccc(C#N)c1=O	ZINC001589307579	953753958	/nfs/dbraw/zinc/75/39/58/953753958.db2.gz	ACMDSWYOEZRENM-ZYHUDNBSSA-N	-1	0	275.308	0.863	20	30		CCEDRM
CN(C(=O)COC(=O)[C@@]1(C(=O)[O-])CC1(C)C)C(C)(C)C#N	ZINC001593676350	953930695	/nfs/dbraw/zinc/93/06/95/953930695.db2.gz	QVLQWPDFFFYZJI-AWEZNQCLSA-N	-1	0	296.323	0.791	20	30		CCEDRM
CN(C(=O)COC(=O)CCC(=O)[O-])C(C)(C)C#N	ZINC001593676541	953933681	/nfs/dbraw/zinc/93/36/81/953933681.db2.gz	XARCQKQZTZJXBX-UHFFFAOYSA-N	-1	0	256.258	0.155	20	30		CCEDRM
CN(C)C(=O)CCCOC(=O)[C@@](C)(C#N)CC(=O)[O-]	ZINC001593683611	953979219	/nfs/dbraw/zinc/97/92/19/953979219.db2.gz	FWZCGKBAHTUSGW-GFCCVEGCSA-N	-1	0	270.285	0.403	20	30		CCEDRM
C=CC(C)(C)CNC(=O)Cn1cc(C(=O)[O-])nn1	ZINC000385032044	971978081	/nfs/dbraw/zinc/97/80/81/971978081.db2.gz	LASAQSLSSOSABW-UHFFFAOYSA-N	-1	0	252.274	0.305	20	30		CCEDRM
C[C@@H]1CCOCCN1C(=O)[C@](C)(C#N)CC(=O)[O-]	ZINC001589362849	954163226	/nfs/dbraw/zinc/16/32/26/954163226.db2.gz	SOYFLELOEZSQCV-SKDRFNHKSA-N	-1	0	254.286	0.628	20	30		CCEDRM
C[C@@H]1CN(C(=O)[C@](C)(C#N)CC(=O)[O-])C[C@@H](C)S1=O	ZINC001589366081	954194765	/nfs/dbraw/zinc/19/47/65/954194765.db2.gz	GSAPUFODWSIZJU-LNLATYFQSA-N	-1	0	286.353	0.359	20	30		CCEDRM
C=CCCN(C)S(=O)(=O)c1n[nH]c(C)c1C(=O)[O-]	ZINC000385533607	972001618	/nfs/dbraw/zinc/00/16/18/972001618.db2.gz	KEPQWOKXWKOLPL-UHFFFAOYSA-N	-1	0	273.314	0.613	20	30		CCEDRM
CN(CCS(=O)(=O)CC(=O)[O-])[C@H]1CCC[C@@H]1C#N	ZINC001593754731	954442587	/nfs/dbraw/zinc/44/25/87/954442587.db2.gz	YHYLMRKFJMFNQW-ZJUUUORDSA-N	-1	0	274.342	0.110	20	30		CCEDRM
CC[C@@H](CNC(=O)N1CCO[C@](C)(C#N)C1)C(=O)[O-]	ZINC001589528988	955140913	/nfs/dbraw/zinc/14/09/13/955140913.db2.gz	OXMPTAPCOIBGPC-JOYOIKCWSA-N	-1	0	269.301	0.421	20	30		CCEDRM
C[C@H](CCCO)CNC(=O)[C@](C)(C#N)CC(=O)[O-]	ZINC001589014024	955413420	/nfs/dbraw/zinc/41/34/20/955413420.db2.gz	IEPJQIKZXINDSR-SKDRFNHKSA-N	-1	0	256.302	0.516	20	30		CCEDRM
COC(=O)[C@H]1C[C@H](NC(=O)[C@@](C)(C#N)CC(=O)[O-])C1	ZINC001593864920	955570166	/nfs/dbraw/zinc/57/01/66/955570166.db2.gz	AHABOWNMPXTQIL-DNSOKLHBSA-N	-1	0	268.269	0.059	20	30		CCEDRM
C[C@@H](CNC(=O)N1CCN(C2CC2)[C@@H](C#N)C1)C(=O)[O-]	ZINC001589049779	955647958	/nfs/dbraw/zinc/64/79/58/955647958.db2.gz	IGJMPHXVYCJFRY-ONGXEEELSA-N	-1	0	280.328	0.089	20	30		CCEDRM
Cn1nc(C(=O)[O-])cc1/C=C\C(=O)c1ncccn1	ZINC001594566678	955849155	/nfs/dbraw/zinc/84/91/55/955849155.db2.gz	CTSVXPFAIGHKGL-ARJAWSKDSA-N	-1	0	258.237	0.804	20	30		CCEDRM
CO[C@@H](C(=O)[O-])C(=O)Nc1cccc(OCC#N)c1	ZINC001593912547	955980542	/nfs/dbraw/zinc/98/05/42/955980542.db2.gz	AELGFYATXCGEGP-SNVBAGLBSA-N	-1	0	264.237	0.627	20	30		CCEDRM
N#C[C@@H](C(=O)COCC(=O)[O-])C(=O)Nc1ccccc1	ZINC001594600909	956127733	/nfs/dbraw/zinc/12/77/33/956127733.db2.gz	HPPNNMCSSQBUJL-JTQLQIEISA-N	-1	0	276.248	0.435	20	30		CCEDRM
N#CC1(CNC(=O)[C@H](C(=O)[O-])C2CC2)CCOCC1	ZINC001594604614	956164043	/nfs/dbraw/zinc/16/40/43/956164043.db2.gz	ZEPNTUMWIUABFZ-SNVBAGLBSA-N	-1	0	266.297	0.534	20	30		CCEDRM
N#C[C@H]1CN(C(=O)C(=O)[O-])CCN1Cc1ccccc1	ZINC001594605318	956164154	/nfs/dbraw/zinc/16/41/54/956164154.db2.gz	BDTWKYAWBFWDFU-LBPRGKRZSA-N	-1	0	273.292	0.308	20	30		CCEDRM
N#CC1(CCCON2C[C@@H](C(=O)[O-])CC2=O)CCOCC1	ZINC001594604630	956164473	/nfs/dbraw/zinc/16/44/73/956164473.db2.gz	ZLRYXFUTGKURIJ-NSHDSACASA-N	-1	0	296.323	0.952	20	30		CCEDRM
N#CCC1CCN(C(=O)C(=O)N2CC[C@H](C(=O)[O-])C2)CC1	ZINC001594605810	956172222	/nfs/dbraw/zinc/17/22/22/956172222.db2.gz	JBDOXSOGTZMEOO-NSHDSACASA-N	-1	0	293.323	0.072	20	30		CCEDRM
N#CCc1ccccc1S(=O)(=O)NCCCC(=O)[O-]	ZINC001594611573	956216976	/nfs/dbraw/zinc/21/69/76/956216976.db2.gz	YHHAQMOJROICRM-UHFFFAOYSA-N	-1	0	282.321	0.896	20	30		CCEDRM
N#C[C@H]1CC[C@@H](NC(=O)N2C[C@@H]3COC[C@]3(C(=O)[O-])C2)C1	ZINC001594612062	956226130	/nfs/dbraw/zinc/22/61/30/956226130.db2.gz	WCPWJLLKDBJGKV-ICUOPCATSA-N	-1	0	293.323	0.421	20	30		CCEDRM
N#Cc1c[nH]c2cc(C(=O)N3CCO[C@@H](C(=O)[O-])C3)ccc12	ZINC001594614216	956229787	/nfs/dbraw/zinc/22/97/87/956229787.db2.gz	MFFABARLUDEBNM-CYBMUJFWSA-N	-1	0	299.286	0.965	20	30		CCEDRM
N#Cc1c(N)sc2c1CCN(C(=O)COCC(=O)[O-])C2	ZINC001594614568	956232934	/nfs/dbraw/zinc/23/29/34/956232934.db2.gz	ZRTVVNMDZDDDMJ-UHFFFAOYSA-N	-1	0	295.320	0.188	20	30		CCEDRM
N#Cc1cc(NC(=O)N2CCO[C@@H](C(=O)[O-])C2)ccn1	ZINC001594615483	956233112	/nfs/dbraw/zinc/23/31/12/956233112.db2.gz	APCLHLLUSMSAIE-SNVBAGLBSA-N	-1	0	276.252	0.271	20	30		CCEDRM
N#Cc1csc(CNC(=O)[C@H](C(=O)[O-])C2CC2)n1	ZINC001594634540	956363416	/nfs/dbraw/zinc/36/34/16/956363416.db2.gz	LOAFBQCHZAEZDO-SECBINFHSA-N	-1	0	265.294	0.742	20	30		CCEDRM
COC[C@@](C)(C#N)NC(=O)[C@@H]1CC[C@H](C(=O)[O-])C1	ZINC001593952454	956405693	/nfs/dbraw/zinc/40/56/93/956405693.db2.gz	WUILNUGVTHZVFJ-VDDIYKPWSA-N	-1	0	254.286	0.532	20	30		CCEDRM
C=CCNC(=O)CN1Cc2ccccc2C[C@@H]1C(=O)[O-]	ZINC000061448888	957580592	/nfs/dbraw/zinc/58/05/92/957580592.db2.gz	OXEUFWDNVZYVSU-CYBMUJFWSA-N	-1	0	274.320	0.800	20	30		CCEDRM
COCc1nc(CNC(=O)[C@@](C)(C#N)CC(=O)[O-])cs1	ZINC001594029257	957744544	/nfs/dbraw/zinc/74/45/44/957744544.db2.gz	ZAPKLMYGTOLKPY-GFCCVEGCSA-N	-1	0	297.336	0.910	20	30		CCEDRM
N#CCCCCNS(=O)(=O)c1n[nH]cc1C(=O)[O-]	ZINC000079865199	957761907	/nfs/dbraw/zinc/76/19/07/957761907.db2.gz	AONGQLGCSJTLSA-UHFFFAOYSA-N	-1	0	272.286	0.080	20	30		CCEDRM
Cc1cc(C)c(C#N)c(NC(=O)COCC(=O)[O-])n1	ZINC001594293532	957843608	/nfs/dbraw/zinc/84/36/08/957843608.db2.gz	HAFXVTYROMLPCS-UHFFFAOYSA-N	-1	0	263.253	0.610	20	30		CCEDRM
C#C[C@@H]1CCCCN1C(=O)NCCOCCOCC(=O)[O-]	ZINC001588385737	957972991	/nfs/dbraw/zinc/97/29/91/957972991.db2.gz	HGOMTCJZYJYPFM-GFCCVEGCSA-N	-1	0	298.339	0.302	20	30		CCEDRM
C#C[C@@H](NCc1cc(C(=O)[O-])nn1C)[C@@H]1CCCO1	ZINC001588385735	957973209	/nfs/dbraw/zinc/97/32/09/957973209.db2.gz	HFLKCXJEXUTHSR-PWSUYJOCSA-N	-1	0	263.297	0.389	20	30		CCEDRM
C#CC1(O)CCN(C(=O)[C@@H]2CO[C@@H](CCC(=O)[O-])C2)CC1	ZINC001588386003	957975409	/nfs/dbraw/zinc/97/54/09/957975409.db2.gz	MTGUQXQSEHMYNV-RYUDHWBXSA-N	-1	0	295.335	0.243	20	30		CCEDRM
C#C[C@@H](NC(=O)NC[C@H](CC)C(=O)[O-])C1CCOCC1	ZINC001588386357	957976704	/nfs/dbraw/zinc/97/67/04/957976704.db2.gz	PLEZQOARYABEQG-CMPLNLGQSA-N	-1	0	282.340	0.825	20	30		CCEDRM
C#C[C@H](NC(=O)[C@H]1CC(C(=O)[O-])=NO1)c1ccccc1	ZINC001588387365	957987850	/nfs/dbraw/zinc/98/78/50/957987850.db2.gz	HUSFSEBLGILNFR-CMPLNLGQSA-N	-1	0	272.260	0.707	20	30		CCEDRM
C#C[C@@H](NC(=O)[C@@H](C(=O)[O-])C1CC1)C1CCOCC1	ZINC001588387590	957989093	/nfs/dbraw/zinc/98/90/93/957989093.db2.gz	KTMKKISOZMYSEW-NEPJUHHUSA-N	-1	0	265.309	0.642	20	30		CCEDRM
C#CC[C@H](CCOC)NC(=O)Nc1ccn(CC(=O)[O-])n1	ZINC001588389126	958003898	/nfs/dbraw/zinc/00/38/98/958003898.db2.gz	NNPSYTMNPRRMBU-SNVBAGLBSA-N	-1	0	294.311	0.518	20	30		CCEDRM
C#CC[C@H](CCOC)NC(=O)N1CCC[C@H](C(=O)[O-])C1	ZINC001588389185	958005731	/nfs/dbraw/zinc/00/57/31/958005731.db2.gz	PACQODPRTNDBDP-NWDGAFQWSA-N	-1	0	282.340	0.921	20	30		CCEDRM
C#CCCCCNC(=O)C(=O)N1CCC(C(=O)[O-])CC1	ZINC001588390801	958016256	/nfs/dbraw/zinc/01/62/56/958016256.db2.gz	JMOASFLGKRCBOC-UHFFFAOYSA-N	-1	0	280.324	0.229	20	30		CCEDRM
C#CCC[C@H](O)CNC(=O)C1(C(=O)[O-])CCCCC1	ZINC001588391700	958026705	/nfs/dbraw/zinc/02/67/05/958026705.db2.gz	LZQAOYSISZSNFJ-NSHDSACASA-N	-1	0	267.325	0.912	20	30		CCEDRM
C#CCN(C(=O)[C@@H]1CC[C@H]1C(=O)[O-])C1CSC1	ZINC001588395064	958036512	/nfs/dbraw/zinc/03/65/12/958036512.db2.gz	BVZHHUGXHLDOBR-NXEZZACHSA-N	-1	0	253.323	0.674	20	30		CCEDRM
C#CCN(CC(=O)[O-])C(=O)[C@H]1C[C@]12C(=O)Nc1ccccc12	ZINC001588398626	958067593	/nfs/dbraw/zinc/06/75/93/958067593.db2.gz	AVZGBLFTMTVKDC-BDJLRTHQSA-N	-1	0	298.298	0.443	20	30		CCEDRM
C#CCN(CC(=O)[O-])C(=O)CC(C)(C)CC(C)=O	ZINC001588399142	958071058	/nfs/dbraw/zinc/07/10/58/958071058.db2.gz	GTWLZMRDHCJCPG-UHFFFAOYSA-N	-1	0	253.298	0.928	20	30		CCEDRM
C#CCN(CC(=O)[O-])C(=O)CCCc1nc(CCC)no1	ZINC001588402020	958087627	/nfs/dbraw/zinc/08/76/27/958087627.db2.gz	JEJISJXGTQUFOV-UHFFFAOYSA-N	-1	0	293.323	0.891	20	30		CCEDRM
C#CCN(CC(=O)[O-])C(=O)C[C@@H]1CCC(=O)[C@@H]1C	ZINC001588402662	958094360	/nfs/dbraw/zinc/09/43/60/958094360.db2.gz	ZQFJYHKBRRTUQW-ZJUUUORDSA-N	-1	0	251.282	0.538	20	30		CCEDRM
C#CCN(CC(=O)[O-])C(=O)Cc1ccc(C)c(O)c1	ZINC001588406592	958094452	/nfs/dbraw/zinc/09/44/52/958094452.db2.gz	AZKDROVNVRFYSC-UHFFFAOYSA-N	-1	0	261.277	0.790	20	30		CCEDRM
C#CCN(CC(=O)[O-])C(=O)N[C@@H](C#C)C1CCOCC1	ZINC001588406782	958096987	/nfs/dbraw/zinc/09/69/87/958096987.db2.gz	DYDMACPMGGUGNI-LBPRGKRZSA-N	-1	0	278.308	0.144	20	30		CCEDRM
C#CCN(CC(=O)[O-])C(=O)Cc1cc(F)ccc1O	ZINC001588407483	958099035	/nfs/dbraw/zinc/09/90/35/958099035.db2.gz	PIJHVDCEXNCMRS-UHFFFAOYSA-N	-1	0	265.240	0.620	20	30		CCEDRM
C#CCN(CC(=O)[O-])C(=O)Cn1ccc2ccccc2c1=O	ZINC001588407671	958101093	/nfs/dbraw/zinc/10/10/93/958101093.db2.gz	TZKZTLBXXKMJEN-UHFFFAOYSA-N	-1	0	298.298	0.548	20	30		CCEDRM
C#CCN(CC(=O)[O-])C(=O)NCCCCC(=O)OC	ZINC001588408433	958110045	/nfs/dbraw/zinc/11/00/45/958110045.db2.gz	MWLDWOXUUBMNIO-UHFFFAOYSA-N	-1	0	270.285	0.059	20	30		CCEDRM
C#CCN(CC(=O)[O-])C(=O)NC[C@@H](C)CC(=O)OCC	ZINC001588408992	958121778	/nfs/dbraw/zinc/12/17/78/958121778.db2.gz	AMBJONHGGQJSIT-JTQLQIEISA-N	-1	0	284.312	0.305	20	30		CCEDRM
C#CCN(CC(=O)[O-])C(=O)N[C@@H](c1nc(C)no1)C(C)C	ZINC001588409116	958123269	/nfs/dbraw/zinc/12/32/69/958123269.db2.gz	CAEYNEMVOQFJOB-LLVKDONJSA-N	-1	0	294.311	0.805	20	30		CCEDRM
C#CCN(CC(=O)[O-])C(=O)N[C@@H]1C[C@@H]2CCC[C@@H]12	ZINC001588409573	958129481	/nfs/dbraw/zinc/12/94/81/958129481.db2.gz	GTBWGYMLCUYORU-HBNTYKKESA-N	-1	0	250.298	0.904	20	30		CCEDRM
C#CCN(CC(=O)[O-])C(=O)Nc1cnc(F)c(F)c1	ZINC001588413271	958157476	/nfs/dbraw/zinc/15/74/76/958157476.db2.gz	XBWVLOWLEQNXSF-UHFFFAOYSA-N	-1	0	269.207	0.912	20	30		CCEDRM
C#CCN(CC(=O)[O-])C(=O)c1ccc(OC)c(Cl)n1	ZINC001588416134	958161180	/nfs/dbraw/zinc/16/11/80/958161180.db2.gz	HSXXIARKMKZJTK-UHFFFAOYSA-N	-1	0	282.683	0.904	20	30		CCEDRM
C#CCN(CC(=O)[O-])C(=O)c1cnc(C2CC2)nc1N	ZINC001588418705	958184342	/nfs/dbraw/zinc/18/43/42/958184342.db2.gz	PNIWGWWKIYPGRB-UHFFFAOYSA-N	-1	0	274.280	0.096	20	30		CCEDRM
C#CCN(CC(=O)[O-])Cc1ccccc1-n1cncn1	ZINC001588423664	958208703	/nfs/dbraw/zinc/20/87/03/958208703.db2.gz	BRVIMYGDUANDON-UHFFFAOYSA-N	-1	0	270.292	0.787	20	30		CCEDRM
C#CCN(CC(=O)[O-])Cc1nc(N)c2ccccc2n1	ZINC001588425453	958226352	/nfs/dbraw/zinc/22/63/52/958226352.db2.gz	SAOQSBRVFSRXOJ-UHFFFAOYSA-N	-1	0	270.292	0.732	20	30		CCEDRM
C#CCN(CC(=O)[O-])c1nnc(-c2nccs2)n1CC	ZINC001588426481	958229057	/nfs/dbraw/zinc/22/90/57/958229057.db2.gz	MOZVRCUUPSXERP-UHFFFAOYSA-N	-1	0	291.336	0.946	20	30		CCEDRM
C#CCN(CC(=O)[O-])c1nnc([C@@H](O)C=C)n1CC=C	ZINC001588426732	958232453	/nfs/dbraw/zinc/23/24/53/958232453.db2.gz	AJZOKCRTNPFOIU-JTQLQIEISA-N	-1	0	276.296	0.208	20	30		CCEDRM
C#CCN(CC(=O)[O-])c1nnnn1C[C@H]1CC(C)(C)CO1	ZINC001588426850	958235615	/nfs/dbraw/zinc/23/56/15/958235615.db2.gz	DQLGKYJLLXSLLR-SNVBAGLBSA-N	-1	0	293.327	0.012	20	30		CCEDRM
C#CCN(CC(=O)[O-])c1nnc([C@H](O)CC(C)(C)C)n1C	ZINC001588426943	958236548	/nfs/dbraw/zinc/23/65/48/958236548.db2.gz	HMYXLABUOPCDIY-SNVBAGLBSA-N	-1	0	294.355	0.809	20	30		CCEDRM
C#CCOCCNC(=O)Nc1cccnc1C(=O)[O-]	ZINC001588431629	958272822	/nfs/dbraw/zinc/27/28/22/958272822.db2.gz	RHSVKESDQCSOKC-UHFFFAOYSA-N	-1	0	263.253	0.551	20	30		CCEDRM
C#CCN(CC1CC1)C(=O)c1cccn(CC(=O)[O-])c1=O	ZINC001588432284	958278048	/nfs/dbraw/zinc/27/80/48/958278048.db2.gz	JAINHHZHMGSNDU-UHFFFAOYSA-N	-1	0	288.303	0.418	20	30		CCEDRM
C#Cc1ccc(C(=O)N2CC[C@@](COC)(C(=O)[O-])C2)cn1	ZINC001588432914	958289378	/nfs/dbraw/zinc/28/93/78/958289378.db2.gz	HHGISHFTZCAIOI-OAHLLOKOSA-N	-1	0	288.303	0.626	20	30		CCEDRM
C#CCSCC(=O)N[C@H](C(=O)[O-])c1ccnn1C	ZINC001588433029	958290945	/nfs/dbraw/zinc/29/09/45/958290945.db2.gz	KOQURVQENJSMOF-JTQLQIEISA-N	-1	0	267.310	0.028	20	30		CCEDRM
C#CCOc1ccccc1NC(=O)[C@@H]1CC(C(=O)[O-])=NO1	ZINC001588433520	958297847	/nfs/dbraw/zinc/29/78/47/958297847.db2.gz	OFTZVQXZCQVEIQ-LBPRGKRZSA-N	-1	0	288.259	0.867	20	30		CCEDRM
C#Cc1ccc(NC(=O)C(=O)N[C@@H](C)CC(=O)[O-])cc1	ZINC001588438967	958307719	/nfs/dbraw/zinc/30/77/19/958307719.db2.gz	LGYSARDNNYABKE-VIFPVBQESA-N	-1	0	274.276	0.586	20	30		CCEDRM
C#Cc1ccc(NCC(=O)NCC(=O)[O-])c(Cl)c1	ZINC001588439278	958314099	/nfs/dbraw/zinc/31/40/99/958314099.db2.gz	QMLGSWBUZTZBIE-UHFFFAOYSA-N	-1	0	266.684	0.934	20	30		CCEDRM
C=C(C)CN(CC)C(=O)CN[C@H](C(=O)[O-])c1ccnn1C	ZINC001588439593	958320925	/nfs/dbraw/zinc/32/09/25/958320925.db2.gz	DOLLHGNTTRAMJZ-ZDUSSCGKSA-N	-1	0	294.355	0.560	20	30		CCEDRM
C=C(CO)C(=O)N[C@H](C(=O)[O-])c1ccc(F)cc1	ZINC001588445143	958371243	/nfs/dbraw/zinc/37/12/43/958371243.db2.gz	CDXXMYSRDNMYBS-JTQLQIEISA-N	-1	0	253.229	0.616	20	30		CCEDRM
C=C1CC(C)(C(=O)N2CCN(C(=O)C(=O)[O-])CC2)C1	ZINC001588445578	958373138	/nfs/dbraw/zinc/37/31/38/958373138.db2.gz	LGTXIIOFQQVISB-UHFFFAOYSA-N	-1	0	266.297	0.098	20	30		CCEDRM
C=C[C@](C)(O)CC(=O)N(CCC(=O)[O-])C1CCOCC1	ZINC001588451090	958404637	/nfs/dbraw/zinc/40/46/37/958404637.db2.gz	LUWVLMWSTQMYBA-AWEZNQCLSA-N	-1	0	285.340	0.796	20	30		CCEDRM
C=C[C@](C)(O)CC(=O)N1CC[C@@H](C(=O)[O-])[C@@H](C)C1	ZINC001588451136	958405780	/nfs/dbraw/zinc/40/57/80/958405780.db2.gz	NIORTOPRDQZBLR-CWSCBRNRSA-N	-1	0	255.314	0.883	20	30		CCEDRM
C=C[C@@H](O)c1nnc(N2CCC(C(=O)[O-])CC2)n1C	ZINC001588452195	958420337	/nfs/dbraw/zinc/42/03/37/958420337.db2.gz	KWXQYYYHNHRKGB-SECBINFHSA-N	-1	0	266.301	0.336	20	30		CCEDRM
C=C[C@@H](O)c1nnc(N2CC[C@@H](C(=O)[O-])C2)n1CCOC	ZINC001588453375	958436391	/nfs/dbraw/zinc/43/63/91/958436391.db2.gz	YCGQYHQDUJBMCK-NXEZZACHSA-N	-1	0	296.327	0.055	20	30		CCEDRM
C=CC[C@H](CO)NC(=O)[C@@H]1CO[C@@H](CCC(=O)[O-])C1	ZINC001588453497	958439993	/nfs/dbraw/zinc/43/99/93/958439993.db2.gz	ZDNJGUXFWYWNEC-AXFHLTTASA-N	-1	0	271.313	0.310	20	30		CCEDRM
C=CCC[C@@H](NC(=O)[C@](C)(OC)C(=O)[O-])C(=O)OCC	ZINC001588456970	958441756	/nfs/dbraw/zinc/44/17/56/958441756.db2.gz	DGUHRXZKQFDFSD-RNCFNFMXSA-N	-1	0	287.312	0.490	20	30		CCEDRM
C=CCC[C@H](CO)NC(=O)c1cc(C(=O)[O-])nn1C	ZINC001588457423	958450729	/nfs/dbraw/zinc/45/07/29/958450729.db2.gz	ZRHGIBWOSMZBMI-MRVPVSSYSA-N	-1	0	267.285	0.175	20	30		CCEDRM
C=CCCCC(=O)N1CCO[C@@](COC)(C(=O)[O-])C1	ZINC001588457834	958455630	/nfs/dbraw/zinc/45/56/30/958455630.db2.gz	GAVWOVNGYOXLIO-ZDUSSCGKSA-N	-1	0	271.313	0.671	20	30		CCEDRM
C=CCCC[C@H](NC(=O)[C@H]1CC(C(=O)[O-])=NO1)C(=O)OC	ZINC001588458869	958467695	/nfs/dbraw/zinc/46/76/95/958467695.db2.gz	WJEZEXVMKWBTOM-WCBMZHEXSA-N	-1	0	298.295	0.230	20	30		CCEDRM
C=CCN1CC(=O)N(CCC(C)(C)C(=O)[O-])C1=O	ZINC001588464389	958491660	/nfs/dbraw/zinc/49/16/60/958491660.db2.gz	OGBHACSFMQQYGE-UHFFFAOYSA-N	-1	0	254.286	0.938	20	30		CCEDRM
C=CCN1CCN(CN(C)[C@H](CC)C(=O)[O-])C1=O	ZINC001588465387	958502176	/nfs/dbraw/zinc/50/21/76/958502176.db2.gz	HLSTWAYEKSDYGA-SNVBAGLBSA-N	-1	0	255.318	0.663	20	30		CCEDRM
C=CCNC(=O)COC(=O)[C@H](C(=O)[O-])C1CCCC1	ZINC001588465380	958501419	/nfs/dbraw/zinc/50/14/19/958501419.db2.gz	HBJYQAYXMNHXCG-NSHDSACASA-N	-1	0	269.297	0.723	20	30		CCEDRM
C=CCNC(=S)N1C[C@@H]2COC[C@]2(C(=O)[O-])C1	ZINC001588465680	958507312	/nfs/dbraw/zinc/50/73/12/958507312.db2.gz	XISLPSLYMJBCPL-LDYMZIIASA-N	-1	0	256.327	0.080	20	30		CCEDRM
C=CCS(=O)(=O)CCNC(=O)[C@@H](C(=O)[O-])C(C)(C)C	ZINC001588469603	958518641	/nfs/dbraw/zinc/51/86/41/958518641.db2.gz	MKHPIAQZMJQRIW-VIFPVBQESA-N	-1	0	291.369	0.450	20	30		CCEDRM
C=CCn1c([C@@H](C)CO)nnc1N1CCC[C@H](C(=O)[O-])C1	ZINC001588470974	958533759	/nfs/dbraw/zinc/53/37/59/958533759.db2.gz	YIOZFJIXWCUUQS-QWRGUYRKSA-N	-1	0	294.355	0.861	20	30		CCEDRM
C=CCn1c([C@@H](O)COC)nnc1N1CC[C@H](C(=O)[O-])C1	ZINC001588472132	958539893	/nfs/dbraw/zinc/53/98/93/958539893.db2.gz	JWWMPGVGWHEJRF-UWVGGRQHSA-N	-1	0	296.327	0.055	20	30		CCEDRM
C[C@@H](C(=O)N1CCCC[C@@H]1C(=O)[O-])n1cnc(C#N)n1	ZINC001573362434	958598671	/nfs/dbraw/zinc/59/86/71/958598671.db2.gz	BADKDMFNSMXTBB-DTWKUNHWSA-N	-1	0	277.284	0.176	20	30		CCEDRM
C[C@@](C#N)(CC(=O)[O-])C(=O)Nc1ccc(=O)[nH]n1	ZINC001573362670	958600486	/nfs/dbraw/zinc/60/04/86/958600486.db2.gz	DNYXCVWEGPMGEX-JTQLQIEISA-N	-1	0	250.214	0.125	20	30		CCEDRM
C[C@@](C#N)(CC(=O)[O-])C(=O)N[C@H]1CCn2ccnc21	ZINC001573365121	958619140	/nfs/dbraw/zinc/61/91/40/958619140.db2.gz	SCHJEGDMURRPIC-UFBFGSQYSA-N	-1	0	262.269	0.449	20	30		CCEDRM
COc1cc(C#N)ccc1NC(=O)COCC(=O)[O-]	ZINC000129792514	958718425	/nfs/dbraw/zinc/71/84/25/958718425.db2.gz	KHCSIRKBYMWKBA-UHFFFAOYSA-N	-1	0	264.237	0.607	20	30		CCEDRM
C=C(C)CN(CC)C(=O)CN1CCOC[C@@H]1CC(=O)[O-]	ZINC000130039675	958727184	/nfs/dbraw/zinc/72/71/84/958727184.db2.gz	CBTNEVDCFSNGPF-LBPRGKRZSA-N	-1	0	284.356	0.587	20	30		CCEDRM
N#Cc1ccc(F)c(CN2C[C@H](O)C[C@@H]2C(=O)[O-])c1	ZINC000132025732	958761825	/nfs/dbraw/zinc/76/18/25/958761825.db2.gz	SKYWOPMHGIVGLL-ZYHUDNBSSA-N	-1	0	264.256	0.717	20	30		CCEDRM
Cc1cccc(NC(=O)[C@H](C#N)C(=O)COCC(=O)[O-])c1	ZINC001594405532	958903095	/nfs/dbraw/zinc/90/30/95/958903095.db2.gz	LOLBTJNWRGVWJX-LLVKDONJSA-N	-1	0	290.275	0.744	20	30		CCEDRM
C[C@@](C#N)(CC(=O)[O-])C(=O)OCCC1OCCO1	ZINC001588539885	958953736	/nfs/dbraw/zinc/95/37/36/958953736.db2.gz	DLHDUHZMWYHYIW-NSHDSACASA-N	-1	0	257.242	0.297	20	30		CCEDRM
C[C@H](C#N)OCCOC(=O)[C@@]1(C(=O)[O-])CC1(C)C	ZINC001588543652	958982524	/nfs/dbraw/zinc/98/25/24/958982524.db2.gz	PCHONVLJQKLKBN-PELKAZGASA-N	-1	0	255.270	0.959	20	30		CCEDRM
C#CC[C@@H](NC(=O)c1csc(NC(C)=O)n1)C(=O)[O-]	ZINC000149677378	959022758	/nfs/dbraw/zinc/02/27/58/959022758.db2.gz	JNTNTMYWNCTHCU-SSDOTTSWSA-N	-1	0	281.293	0.308	20	30		CCEDRM
C#CC[C@H](NC(=O)c1[nH]nc2ccccc21)C(=O)[O-]	ZINC000149932653	959031224	/nfs/dbraw/zinc/03/12/24/959031224.db2.gz	BNKWPOLSNQZQBU-JTQLQIEISA-N	-1	0	257.249	0.769	20	30		CCEDRM
C[C@H](C(=O)Nc1cc(C(=O)[O-])ccn1)n1cnc(C#N)n1	ZINC001588558192	959080401	/nfs/dbraw/zinc/08/04/01/959080401.db2.gz	UJZSBCKGNHBNDJ-SSDOTTSWSA-N	-1	0	286.251	0.443	20	30		CCEDRM
CC(C)CCN(CCC#N)C(=O)COCC(=O)[O-]	ZINC001573517163	959109361	/nfs/dbraw/zinc/10/93/61/959109361.db2.gz	XMDOCIASGDGQKS-UHFFFAOYSA-N	-1	0	256.302	0.876	20	30		CCEDRM
CC(C)[C@H](NC(=O)CNc1ccc(C#N)cn1)C(=O)[O-]	ZINC001573558093	959256881	/nfs/dbraw/zinc/25/68/81/959256881.db2.gz	DPXZVEPRKGBQEO-LBPRGKRZSA-N	-1	0	276.296	0.591	20	30		CCEDRM
C#C[C@H](C)NS(=O)(=O)c1ccsc1C(=O)[O-]	ZINC000166341969	959305631	/nfs/dbraw/zinc/30/56/31/959305631.db2.gz	CBKBDUJLMJOPQZ-LURJTMIESA-N	-1	0	259.308	0.746	20	30		CCEDRM
C[C@H](C(=O)[O-])N(C1CC1)S(=O)(=O)CC1(C#N)CCC1	ZINC001588591482	959343652	/nfs/dbraw/zinc/34/36/52/959343652.db2.gz	OYPVORDNGGUNLU-SECBINFHSA-N	-1	0	286.353	0.948	20	30		CCEDRM
Cc1nc([C@H](C)NC(=O)[C@](C)(C#N)CC(=O)[O-])no1	ZINC001594449977	959361339	/nfs/dbraw/zinc/36/13/39/959361339.db2.gz	VEELDMGRKOIKCF-KGFZYKRKSA-N	-1	0	266.257	0.560	20	30		CCEDRM
CC(C)(C)[C@H](C#N)NC(=O)[C@H]1CCCN(CC(=O)[O-])C1=O	ZINC001588630961	959609276	/nfs/dbraw/zinc/60/92/76/959609276.db2.gz	UFOVIHCJPAOQCC-ZJUUUORDSA-N	-1	0	295.339	0.364	20	30		CCEDRM
C[C@](O)(CNC(=O)c1cscc1C#N)C(=O)[O-]	ZINC001603261640	972446694	/nfs/dbraw/zinc/44/66/94/972446694.db2.gz	NVBBNIRJCXWLHE-JTQLQIEISA-N	-1	0	254.267	0.185	20	30		CCEDRM
C[C@@]1(C(=O)[O-])CCN(S(=O)(=O)c2cccnc2C#N)C1	ZINC000235432421	960433203	/nfs/dbraw/zinc/43/32/03/960433203.db2.gz	FVSSQJHXPYVGRI-GFCCVEGCSA-N	-1	0	295.320	0.439	20	30		CCEDRM
N#Cc1ccccc1OCCn1cnc(C(=O)[O-])cc1=O	ZINC001571026743	960443222	/nfs/dbraw/zinc/44/32/22/960443222.db2.gz	NVHDGEORYJFXMM-UHFFFAOYSA-N	-1	0	285.259	0.892	20	30		CCEDRM
CN([C@@H]1CCN(CC(=O)[O-])C1=O)[C@H]1CCC[C@@H]1C#N	ZINC001604101990	972503965	/nfs/dbraw/zinc/50/39/65/972503965.db2.gz	FPSUHICNZYIEQL-OUAUKWLOSA-N	-1	0	265.313	0.296	20	30		CCEDRM
N#CCc1ccsc1C(=O)Nc1ncn(CC(=O)[O-])n1	ZINC001574240809	960461977	/nfs/dbraw/zinc/46/19/77/960461977.db2.gz	BGTDUPDJMZQQAL-UHFFFAOYSA-N	-1	0	291.292	0.743	20	30		CCEDRM
C[C@@H]1C[C@H](C(=O)NCc2ccnc(C#N)c2)O[C@H]1C(=O)[O-]	ZINC001571036418	960539211	/nfs/dbraw/zinc/53/92/11/960539211.db2.gz	YPJRESRSTSPIPD-GGZOMVNGSA-N	-1	0	289.291	0.448	20	30		CCEDRM
CN(CC(=O)[O-])Cc1cn(Cc2cncc(C#N)c2)nn1	ZINC001604113786	972514107	/nfs/dbraw/zinc/51/41/07/972514107.db2.gz	AOFKVTGCNAQGOZ-UHFFFAOYSA-N	-1	0	286.295	0.109	20	30		CCEDRM
CC(C)C#CC(=O)N1C[C@@H]2COC[C@]2(C(=O)[O-])C1	ZINC001588799261	961413051	/nfs/dbraw/zinc/41/30/51/961413051.db2.gz	RPBMWARRJQRNAJ-ZWNOBZJWSA-N	-1	0	251.282	0.205	20	30		CCEDRM
N#Cc1c(NC(=O)COCC(=O)[O-])ncc2c1COCC2	ZINC001574479111	961646973	/nfs/dbraw/zinc/64/69/73/961646973.db2.gz	DAIRKINBUJXFRO-UHFFFAOYSA-N	-1	0	291.263	0.066	20	30		CCEDRM
N#C[C@H]1CN(C(=O)Nc2ccnc(C(=O)[O-])c2)CCO1	ZINC001574480544	961664078	/nfs/dbraw/zinc/66/40/78/961664078.db2.gz	LFLPCJJRIQRRDN-VIFPVBQESA-N	-1	0	276.252	0.536	20	30		CCEDRM
N#CCCN(CCS(=O)(=O)CC(=O)[O-])CC1CC1	ZINC001574480683	961666069	/nfs/dbraw/zinc/66/60/69/961666069.db2.gz	OSQPQQQQNNWYGQ-UHFFFAOYSA-N	-1	0	274.342	0.111	20	30		CCEDRM
COC[C@H](CCNC(=O)[C@](C)(C#N)CC(=O)[O-])OC	ZINC001574130911	962529795	/nfs/dbraw/zinc/52/97/95/962529795.db2.gz	SOKYVLPWONQCGL-CABZTGNLSA-N	-1	0	272.301	0.159	20	30		CCEDRM
C#CCN(C(=O)[C@H]1C[C@H]1C(=O)[O-])c1nccs1	ZINC001573301980	962642054	/nfs/dbraw/zinc/64/20/54/962642054.db2.gz	NQKFOAZSVODENL-JGVFFNPUSA-N	-1	0	250.279	0.830	20	30		CCEDRM
C#C[C@H]1COCCN1C(=O)CC[C@@H]1C[C@H](C(=O)[O-])CO1	ZINC001573302954	962666384	/nfs/dbraw/zinc/66/63/84/962666384.db2.gz	SJURYRINLFGYBW-SDDRHHMPSA-N	-1	0	281.308	0.117	20	30		CCEDRM
C=C(C)C[C@@H](NC(=O)[C@H]1CC[C@@H](C(N)=O)C1)C(=O)[O-]	ZINC001573319829	962747382	/nfs/dbraw/zinc/74/73/82/962747382.db2.gz	BIWRWUGWZRUJFO-KXUCPTDWSA-N	-1	0	268.313	0.424	20	30		CCEDRM
C=C(C)CCC(=O)NCC[C@H](C)NC(=O)CNC(=O)[O-]	ZINC001573323986	962779414	/nfs/dbraw/zinc/77/94/14/962779414.db2.gz	LASWYBSAOLLNSE-JTQLQIEISA-N	-1	0	285.344	0.621	20	30		CCEDRM
C=C(CCC(=O)[O-])C(=O)N[C@H](C)[C@@H](O)C(F)(F)F	ZINC001573332715	962840935	/nfs/dbraw/zinc/84/09/35/962840935.db2.gz	QVXPXQISMYEUEX-HTRCEHHLSA-N	-1	0	269.219	0.835	20	30		CCEDRM
C=C(Cl)CN1CC[C@H](NC(=O)CNC(=O)[O-])[C@H]1C	ZINC001573344423	962918285	/nfs/dbraw/zinc/91/82/85/962918285.db2.gz	XMRKFHCKXHOOCC-BDAKNGLRSA-N	-1	0	275.736	0.586	20	30		CCEDRM
C=C[C@](C)(O)CC(=O)N[C@H]1C[C@H]2C[C@@H](C(=O)[O-])C[C@H]21	ZINC001573346511	962938747	/nfs/dbraw/zinc/93/87/47/962938747.db2.gz	BFQNIRYQOIGPPC-YBRCUDMCSA-N	-1	0	267.325	0.929	20	30		CCEDRM
C=C[C@H](O)C(=O)N[C@@H](C(=O)[O-])c1cc(F)ccc1F	ZINC001573346468	962939485	/nfs/dbraw/zinc/93/94/85/962939485.db2.gz	ANJIGHBLIAOENU-VHSXEESVSA-N	-1	0	271.219	0.754	20	30		CCEDRM
C=C[C@H](C)[C@@H](C)C(=O)NC1(CNC(=O)CNC(=O)[O-])CC1	ZINC001573346627	962941838	/nfs/dbraw/zinc/94/18/38/962941838.db2.gz	FHNSFEDGSLMEAE-VHSXEESVSA-N	-1	0	297.355	0.477	20	30		CCEDRM
N#Cc1ncccc1S(=O)(=O)N1CCC[C@@H]1CC(=O)[O-]	ZINC000300209541	962992245	/nfs/dbraw/zinc/99/22/45/962992245.db2.gz	SQZVDQGCCWDXOV-SECBINFHSA-N	-1	0	295.320	0.581	20	30		CCEDRM
C=CCCC(=O)NC[C@@H](CC)NC(=O)CNC(=O)[O-]	ZINC001573352760	962993385	/nfs/dbraw/zinc/99/33/85/962993385.db2.gz	JOSDHAQTAHTSHS-SECBINFHSA-N	-1	0	271.317	0.231	20	30		CCEDRM
C=CCCCC(=O)N1CCN(C(=O)CNC(=O)[O-])CC1	ZINC001573356756	963010373	/nfs/dbraw/zinc/01/03/73/963010373.db2.gz	GODIKXHWRCQFAF-UHFFFAOYSA-N	-1	0	283.328	0.281	20	30		CCEDRM
N#Cc1ccc(NC(=O)NCC2(C(=O)[O-])CC2)nc1	ZINC001570976112	963055781	/nfs/dbraw/zinc/05/57/81/963055781.db2.gz	CIOCTXDZXFBGQL-UHFFFAOYSA-N	-1	0	260.253	0.940	20	30		CCEDRM
C=CCOC[C@@H](NC(=O)c1nnc(C2CC2)o1)C(=O)[O-]	ZINC001573368700	963084860	/nfs/dbraw/zinc/08/48/60/963084860.db2.gz	KLDWFIUAVCJOFE-MRVPVSSYSA-N	-1	0	281.268	0.333	20	30		CCEDRM
C=C[C@@H]1OCC[C@H]1C(=O)NCc1nc(C(=O)[O-])co1	ZINC001573379740	963110275	/nfs/dbraw/zinc/11/02/75/963110275.db2.gz	USXWNENWEDPUNF-APPZFPTMSA-N	-1	0	266.253	0.580	20	30		CCEDRM
N#Cc1cc(=O)n(CC(=O)c2cccc(C(=O)[O-])c2)cn1	ZINC001571020153	963341364	/nfs/dbraw/zinc/34/13/64/963341364.db2.gz	UHQCAZPXQHFNTP-UHFFFAOYSA-N	-1	0	283.243	0.696	20	30		CCEDRM
N#CCc1cccc(NS(=O)(=O)CCC(=O)[O-])c1	ZINC000313433897	963641548	/nfs/dbraw/zinc/64/15/48/963641548.db2.gz	DBIXOAQLIWGGFJ-UHFFFAOYSA-N	-1	0	268.294	0.969	20	30		CCEDRM
C=C(CC)CNS(=O)(=O)N(C)CCC(=O)[O-]	ZINC000313480112	963644931	/nfs/dbraw/zinc/64/49/31/963644931.db2.gz	HZKQLYGYVHKQAB-UHFFFAOYSA-N	-1	0	250.320	0.194	20	30		CCEDRM
C#CCCCC(=O)N(CC)CCNC(=O)[C@H]1C[C@H]1C(=O)[O-]	ZINC001588435281	964020318	/nfs/dbraw/zinc/02/03/18/964020318.db2.gz	JCWJUPLKWUAJDH-NWDGAFQWSA-N	-1	0	294.351	0.475	20	30		CCEDRM
C#CCC[C@H](O)CNC(=O)Nc1nn(C)cc1C(=O)[O-]	ZINC001588435309	964020515	/nfs/dbraw/zinc/02/05/15/964020515.db2.gz	KXDKVYJZBZCOAN-QMMMGPOBSA-N	-1	0	280.284	0.014	20	30		CCEDRM
C#CCCCCCC(=O)N1C[C@H](C(=O)[O-])[C@H](C(=O)OC)C1	ZINC001588440569	964040694	/nfs/dbraw/zinc/04/06/94/964040694.db2.gz	ALSPAOQPVVZVNX-NWDGAFQWSA-N	-1	0	295.335	0.902	20	30		CCEDRM
C#CCCCCNS(=O)(=O)c1cc(C(=O)[O-])[nH]n1	ZINC001588446432	964073564	/nfs/dbraw/zinc/07/35/64/964073564.db2.gz	LZIFIEKCYDGICW-UHFFFAOYSA-N	-1	0	271.298	0.190	20	30		CCEDRM
C#CCN(CCC(=O)Nc1cc(C)on1)CC(=O)[O-]	ZINC000092484317	967597085	/nfs/dbraw/zinc/59/70/85/967597085.db2.gz	BXHCUHWPZFISRJ-UHFFFAOYSA-N	-1	0	265.269	0.331	20	30		CCEDRM
C#CCN(CC(=O)[O-])CC(=O)N1[C@H](C)CCC[C@H]1C	ZINC000092484528	967597825	/nfs/dbraw/zinc/59/78/25/967597825.db2.gz	LZZVADSFHCPLOX-VXGBXAGGSA-N	-1	0	266.341	0.796	20	30		CCEDRM
Cn1c(C#N)ccc1C(=O)N1CCC(C(=O)[O-])CC1	ZINC001574210073	969848897	/nfs/dbraw/zinc/84/88/97/969848897.db2.gz	WTUNFVNXDMHEEL-UHFFFAOYSA-N	-1	0	261.281	0.834	20	30		CCEDRM
C[C@@](C#N)(CC(=O)[O-])C(=O)N1CC[C@@H](n2cncn2)C1	ZINC001609691376	970448123	/nfs/dbraw/zinc/44/81/23/970448123.db2.gz	LLBBSHFNSYNFJZ-SKDRFNHKSA-N	-1	0	277.284	0.056	20	30		CCEDRM
CN(CCC(=O)[O-])C(=O)C(=O)NCC#Cc1ccccc1	ZINC001604133668	972539147	/nfs/dbraw/zinc/53/91/47/972539147.db2.gz	DNOLECPHMLCDAB-UHFFFAOYSA-N	-1	0	288.303	0.087	20	30		CCEDRM
Cc1[nH]c(C#N)cc1C(=O)N[C@@]1(C(=O)[O-])CCOC1	ZINC001605064246	972680875	/nfs/dbraw/zinc/68/08/75/972680875.db2.gz	FPOQCZPPUTVGOA-LBPRGKRZSA-N	-1	0	263.253	0.168	20	30		CCEDRM
CO[C@@H](C(=O)[O-])C(=O)N1CCCc2cc(C#N)ccc21	ZINC001604422359	973193139	/nfs/dbraw/zinc/19/31/39/973193139.db2.gz	RPUAXIHNYPINGL-GFCCVEGCSA-N	-1	0	274.276	0.937	20	30		CCEDRM
N#Cc1c(F)cccc1N1C[C@H](O)C[C@H](C(=O)[O-])C1	ZINC000401971138	973577943	/nfs/dbraw/zinc/57/79/43/973577943.db2.gz	MPXHCKMYDXYPHW-DTWKUNHWSA-N	-1	0	264.256	0.969	20	30		CCEDRM
COCCN(CC(=O)[O-])Cc1ccc(C#N)cc1[N+](=O)[O-]	ZINC001604593070	973684527	/nfs/dbraw/zinc/68/45/27/973684527.db2.gz	SZEJXURQTPFKKT-UHFFFAOYSA-N	-1	0	293.279	0.999	20	30		CCEDRM
Cn1nc(C(=O)[O-])cc1C(=O)N(CC#N)c1ccccn1	ZINC001605533189	973720823	/nfs/dbraw/zinc/72/08/23/973720823.db2.gz	VZTPFFXFZBMJRA-UHFFFAOYSA-N	-1	0	285.263	0.684	20	30		CCEDRM
N#CC1(CNC(=O)N2CCC(C(=O)[O-])CC2)CC1	ZINC001605577129	973855274	/nfs/dbraw/zinc/85/52/74/973855274.db2.gz	XFNXTMWLGZCABU-UHFFFAOYSA-N	-1	0	251.286	0.796	20	30		CCEDRM
N#CCC1(O)CN(C(=O)Nc2cc(C(=O)[O-])ccn2)C1	ZINC001605582263	973865646	/nfs/dbraw/zinc/86/56/46/973865646.db2.gz	XUBWWFLPHAIVCX-UHFFFAOYSA-N	-1	0	276.252	0.272	20	30		CCEDRM
N#C[C@@H]1CCCN(C(=O)[C@H]2CCCN(CC(=O)[O-])C2=O)C1	ZINC001605583193	973870237	/nfs/dbraw/zinc/87/02/37/973870237.db2.gz	MXJOJATWIADPGL-WDEREUQCSA-N	-1	0	293.323	0.072	20	30		CCEDRM
N#CC1(CNC(=O)NCCCC(=O)[O-])CCOCC1	ZINC001605583313	973872157	/nfs/dbraw/zinc/87/21/57/973872157.db2.gz	PPJNHMASHPXFNM-UHFFFAOYSA-N	-1	0	269.301	0.471	20	30		CCEDRM
N#CC1(CNC(=O)N2C[C@@H]3COC[C@]3(C(=O)[O-])C2)CCC1	ZINC001605583307	973872185	/nfs/dbraw/zinc/87/21/85/973872185.db2.gz	PHYYSAALJMBFLF-QMTHXVAHSA-N	-1	0	293.323	0.423	20	30		CCEDRM
N#CCCNC(=O)C(=O)Nc1ccccc1C(=O)[O-]	ZINC001605585824	973877348	/nfs/dbraw/zinc/87/73/48/973877348.db2.gz	JIEZRADSPWXRJP-UHFFFAOYSA-N	-1	0	261.237	0.353	20	30		CCEDRM
N#Cc1cc(C(=O)NC2(C(=O)[O-])CCOCC2)cs1	ZINC001605591911	973890912	/nfs/dbraw/zinc/89/09/12/973890912.db2.gz	HZNPNFKHEJXXMW-UHFFFAOYSA-N	-1	0	280.305	0.983	20	30		CCEDRM
CCOC(=O)C[C@H](C)CNC(=O)[C@@](C)(C#N)CC(=O)[O-]	ZINC001603793131	974256160	/nfs/dbraw/zinc/25/61/60/974256160.db2.gz	CCZVVMMMMIVCRO-TVQRCGJNSA-N	-1	0	284.312	0.696	20	30		CCEDRM
CCO[C@@H]1C[C@H](NC(=O)[C@](C)(C#N)CC(=O)[O-])[C@@H]1OC	ZINC001603825211	974319924	/nfs/dbraw/zinc/31/99/24/974319924.db2.gz	FHMFCEYLCZEPRK-PKCZLINISA-N	-1	0	284.312	0.300	20	30		CCEDRM
CC[C@H](C)[C@H](NS(=O)(=O)c1ccc(C#N)cn1)C(=O)[O-]	ZINC001603938114	974424110	/nfs/dbraw/zinc/42/41/10/974424110.db2.gz	DYEAWOKQCZFFPP-KWQFWETISA-N	-1	0	297.336	0.731	20	30		CCEDRM
C[C@H](CC(=O)[O-])CC(=O)N1CC[C@@](O)(CC#N)C1	ZINC001592374694	977902801	/nfs/dbraw/zinc/90/28/01/977902801.db2.gz	DEGCSKJUHPGBOR-CABZTGNLSA-N	-1	0	254.286	0.364	20	30		CCEDRM
C[C@@H](Cc1ccc(C#N)cc1)C(=O)NCC[C@H](O)C(=O)[O-]	ZINC001592834901	979581420	/nfs/dbraw/zinc/58/14/20/979581420.db2.gz	ZRIAZEUBJSXSEH-GWCFXTLKSA-N	-1	0	290.319	0.689	20	30		CCEDRM
CCC[C@@H](C#N)NS(=O)(=O)c1cc(C(=O)[O-])co1	ZINC001595532340	981371080	/nfs/dbraw/zinc/37/10/80/981371080.db2.gz	HXHIFUUCGYPZQO-QMMMGPOBSA-N	-1	0	272.282	0.948	20	30		CCEDRM
CCC[C@@H](C)S(=O)(=O)N(CC#N)CCC(=O)[O-]	ZINC001595579550	981509041	/nfs/dbraw/zinc/50/90/41/981509041.db2.gz	RBWOMCDSBXPVTR-SECBINFHSA-N	-1	0	262.331	0.805	20	30		CCEDRM
CCC[C@H](O)CC(=O)N1CCC(C#N)(C(=O)[O-])CC1	ZINC001595609410	981621178	/nfs/dbraw/zinc/62/11/78/981621178.db2.gz	VYAWNGATUAGIHT-JTQLQIEISA-N	-1	0	268.313	0.754	20	30		CCEDRM
CC[C@](C)(C#N)C(=O)N1CCC([C@H](O)C(=O)[O-])CC1	ZINC001594778345	981775298	/nfs/dbraw/zinc/77/52/98/981775298.db2.gz	PETIPEVNLKFIBJ-GXFFZTMASA-N	-1	0	268.313	0.610	20	30		CCEDRM
CC[C@](C)(C#N)C(=O)Nc1cc(C(=O)[O-])nn1C	ZINC001594778418	981776694	/nfs/dbraw/zinc/77/66/94/981776694.db2.gz	RBVKBLBJEDVAAS-LLVKDONJSA-N	-1	0	250.258	0.997	20	30		CCEDRM
CCCC[C@H](NC(=O)[C@@H](C)n1cnc(C#N)n1)C(=O)[O-]	ZINC001595634595	981890173	/nfs/dbraw/zinc/89/01/73/981890173.db2.gz	QQSMTQPHRKFKJB-BDAKNGLRSA-N	-1	0	279.300	0.470	20	30		CCEDRM
CCCC[C@@H](NC(=O)[C@@H](C)n1cnc(C#N)n1)C(=O)[O-]	ZINC001595634598	981890436	/nfs/dbraw/zinc/89/04/36/981890436.db2.gz	QQSMTQPHRKFKJB-RKDXNWHRSA-N	-1	0	279.300	0.470	20	30		CCEDRM
CCCC[C@H](ON=C(C)C)C(=O)N[C@H](CO)C(=O)[O-]	ZINC001595651539	982023095	/nfs/dbraw/zinc/02/30/95/982023095.db2.gz	HMVMWPWMVADOIH-ZJUUUORDSA-N	-1	0	274.317	0.519	20	30		CCEDRM
CCCC[C@@H](ON=C(C)C)C(=O)N[C@@](C)(CO)C(=O)[O-]	ZINC001595652863	982038197	/nfs/dbraw/zinc/03/81/97/982038197.db2.gz	YDOSJSPZVSYUDT-MFKMUULPSA-N	-1	0	288.344	0.909	20	30		CCEDRM
C#C[C@](C)(CC)NS(=O)(=O)CC1(CC(=O)[O-])CC1	ZINC001588367259	983297666	/nfs/dbraw/zinc/29/76/66/983297666.db2.gz	NEXUODXCMBCUEN-LLVKDONJSA-N	-1	0	273.354	0.963	20	30		CCEDRM
C#C[C@@H](C)NC(=O)C(=O)Nc1ccc(C(=O)[O-])c(C)c1	ZINC001588368122	983303860	/nfs/dbraw/zinc/30/38/60/983303860.db2.gz	GVUAKZSZBCUBJP-SECBINFHSA-N	-1	0	274.276	0.770	20	30		CCEDRM
C#C[C@@H](CCC)NC(=O)N1C[C@@H](C)O[C@H](C(=O)[O-])C1	ZINC001588369482	983314821	/nfs/dbraw/zinc/31/48/21/983314821.db2.gz	NJFTUYYJZPINIS-VWYCJHECSA-N	-1	0	268.313	0.672	20	30		CCEDRM
C#C[C@@H](C)NS(=O)(=O)c1sc(C(=O)[O-])cc1OC	ZINC001588369857	983318240	/nfs/dbraw/zinc/31/82/40/983318240.db2.gz	ZBVCOSXSAVNHIW-ZCFIWIBFSA-N	-1	0	289.334	0.755	20	30		CCEDRM
C#C[C@@H](CO)NC(=O)Nc1ccc([C@H](C)C(=O)[O-])cc1	ZINC001588370406	983319251	/nfs/dbraw/zinc/31/92/51/983319251.db2.gz	CGBZDCNAIHDXML-ONGXEEELSA-N	-1	0	276.292	0.990	20	30		CCEDRM
C#C[C@H](CO)NC(=O)c1[nH]c2ccccc2c1CC(=O)[O-]	ZINC001588370663	983321081	/nfs/dbraw/zinc/32/10/81/983321081.db2.gz	KAPTTXSNTBNRNF-SECBINFHSA-N	-1	0	286.287	0.519	20	30		CCEDRM
C#C[C@H](NC(=O)N1CC[C@](OC)(C(=O)[O-])C1)[C@H]1CCCO1	ZINC001588373087	983336698	/nfs/dbraw/zinc/33/66/98/983336698.db2.gz	ZRMAZLWRNHJTEC-MISXGVKJSA-N	-1	0	296.323	0.052	20	30		CCEDRM
C#CC1(F)CN(C(=O)NC[C@@H](CC(=O)[O-])C2CC2)C1	ZINC001588376238	983350943	/nfs/dbraw/zinc/35/09/43/983350943.db2.gz	RGSGUVMGBKJFFY-SNVBAGLBSA-N	-1	0	268.288	0.854	20	30		CCEDRM
CCCc1cc(C(=O)N(CC#N)CC(=O)[O-])cc(=O)[nH]1	ZINC001596052858	983353091	/nfs/dbraw/zinc/35/30/91/983353091.db2.gz	HLRBFPPVCZCSMW-UHFFFAOYSA-N	-1	0	277.280	0.790	20	30		CCEDRM
C#C[C@@H](NCc1cnc(C(=O)[O-])cn1)[C@H]1CCCO1	ZINC001588377087	983355055	/nfs/dbraw/zinc/35/50/55/983355055.db2.gz	IXEZTAHJISCWPM-ZYHUDNBSSA-N	-1	0	261.281	0.445	20	30		CCEDRM
C#C[C@H]1CCCCN1C(=O)c1cc(C(=O)[O-])nn1C	ZINC001588382109	983368987	/nfs/dbraw/zinc/36/89/87/983368987.db2.gz	GQCBDYTYMPFZSY-VIFPVBQESA-N	-1	0	261.281	0.746	20	30		CCEDRM
C#CC1(O)CN([C@H](C)c2ncc(C(=O)[O-])s2)C1	ZINC001588382308	983370608	/nfs/dbraw/zinc/37/06/08/983370608.db2.gz	MGTOJXFHKJQWAD-SSDOTTSWSA-N	-1	0	252.295	0.582	20	30		CCEDRM
C#C[C@@H]1COCCN1C(=O)/C=C\c1cc(C(=O)[O-])co1	ZINC001588384026	983386130	/nfs/dbraw/zinc/38/61/30/983386130.db2.gz	SNLSSZHIUHWRST-DLRQAJBASA-N	-1	0	275.260	0.852	20	30		CCEDRM
C#CCC(C)(C)C(=O)OCCn1cc(C(=O)[O-])nn1	ZINC001588390344	983393022	/nfs/dbraw/zinc/39/30/22/983393022.db2.gz	RRGDNSKNNDIHCE-UHFFFAOYSA-N	-1	0	265.269	0.569	20	30		CCEDRM
C#CC[C@@H](COC)NC(=O)N1CCC2(C[C@H]2C(=O)[O-])CC1	ZINC001588393077	983396478	/nfs/dbraw/zinc/39/64/78/983396478.db2.gz	AUSKBNCSMSBVNY-RYUDHWBXSA-N	-1	0	294.351	0.921	20	30		CCEDRM
C#CC[C@@H](CCOC)NC(=O)N[C@H]1C[C@@H](C(=O)[O-])C1	ZINC001588393505	983398597	/nfs/dbraw/zinc/39/85/97/983398597.db2.gz	GMXUTMBNIOIKSI-GARJFASQSA-N	-1	0	268.313	0.577	20	30		CCEDRM
C#CC[C@H](CO)NC(=O)Nc1cnc(C)c(C(=O)[O-])c1	ZINC001588396833	983409920	/nfs/dbraw/zinc/40/99/20/983409920.db2.gz	ZOHYITUZGARXSW-SECBINFHSA-N	-1	0	277.280	0.594	20	30		CCEDRM
C#CC[C@H](NC(=O)[C@@H](NC(=O)OCC)C(C)C)C(=O)[O-]	ZINC001588398033	983410523	/nfs/dbraw/zinc/41/05/23/983410523.db2.gz	BGOOQSJSDBGYNQ-UWVGGRQHSA-N	-1	0	284.312	0.350	20	30		CCEDRM
C#CC[C@H](NC(=O)[C@@H](C)n1nc(C)cc1C)C(=O)[O-]	ZINC001588398565	983413050	/nfs/dbraw/zinc/41/30/50/983413050.db2.gz	LIKAJKURPVUGIW-MNOVXSKESA-N	-1	0	263.297	0.654	20	30		CCEDRM
C#CC[C@H](NC(=O)[C@H](O)Cc1cccc(OC)c1)C(=O)[O-]	ZINC001588398919	983414076	/nfs/dbraw/zinc/41/40/76/983414076.db2.gz	OGSGUHVPEWHPID-QWHCGFSZSA-N	-1	0	291.303	0.191	20	30		CCEDRM
C#CC[C@H](NC(=O)[C@@](C)(O)c1ccc(F)cc1)C(=O)[O-]	ZINC001588399852	983416975	/nfs/dbraw/zinc/41/69/75/983416975.db2.gz	XSYBVLFDHHONSR-FZMZJTMJSA-N	-1	0	279.267	0.626	20	30		CCEDRM
C#CC[C@@H](NC(=O)[C@@H]1CC(=O)c2ccccc21)C(=O)[O-]	ZINC001588405657	983422126	/nfs/dbraw/zinc/42/21/26/983422126.db2.gz	HWGORHGIFTUMKI-VXGBXAGGSA-N	-1	0	271.272	0.949	20	30		CCEDRM
C#CC[C@@H](NC(=O)C1CCN(CC(F)F)CC1)C(=O)[O-]	ZINC001588406647	983425851	/nfs/dbraw/zinc/42/58/51/983425851.db2.gz	RTFPFDYGBIQZSV-SNVBAGLBSA-N	-1	0	288.294	0.556	20	30		CCEDRM
C#CC[C@H](NC(=O)CC(C)(C)CC(=O)[O-])C(=O)OC	ZINC001588407075	983427156	/nfs/dbraw/zinc/42/71/56/983427156.db2.gz	VUMVUNUJQJVEGC-VIFPVBQESA-N	-1	0	269.297	0.559	20	30		CCEDRM
C#CC[C@@H](NC(=O)/C=C/CN(C)CC(F)(F)F)C(=O)[O-]	ZINC001588407293	983427945	/nfs/dbraw/zinc/42/79/45/983427945.db2.gz	YJCBKRWYLGMTPN-OTQAPUNGSA-N	-1	0	292.257	0.629	20	30		CCEDRM
C#CC[C@H](NC(=O)Cc1ccc2n[nH]cc2c1)C(=O)[O-]	ZINC001588407943	983429822	/nfs/dbraw/zinc/42/98/22/983429822.db2.gz	RUOBVVXQRRIOIA-LBPRGKRZSA-N	-1	0	271.276	0.698	20	30		CCEDRM
C#CC[C@@H](NC(=O)Cc1sc(=S)[nH]c1C)C(=O)[O-]	ZINC001588408090	983430583	/nfs/dbraw/zinc/43/05/83/983430583.db2.gz	XIFNFFXGWSERNQ-SSDOTTSWSA-N	-1	0	284.362	0.875	20	30		CCEDRM
C#CC[C@@H](NC(=O)c1cc(C(=O)OCC)no1)C(=O)[O-]	ZINC001588413961	983432438	/nfs/dbraw/zinc/43/24/38/983432438.db2.gz	LFHGNRADDZNUKE-SSDOTTSWSA-N	-1	0	280.236	0.058	20	30		CCEDRM
C#CC[C@@H](NC(=O)c1cc(S(C)(=O)=O)oc1C)C(=O)[O-]	ZINC001588414310	983433705	/nfs/dbraw/zinc/43/37/05/983433705.db2.gz	RBHPTBUGVLLUEF-SECBINFHSA-N	-1	0	299.304	0.198	20	30		CCEDRM
C#CC[C@H](NC(=O)c1ncccc1NCC)C(=O)[O-]	ZINC001588421699	983442465	/nfs/dbraw/zinc/44/24/65/983442465.db2.gz	MZQUZLPVIYUJED-JTQLQIEISA-N	-1	0	261.281	0.720	20	30		CCEDRM
C#CC[C@@H](NC(=O)c1coc(C(F)(F)F)n1)C(=O)[O-]	ZINC001588422424	983446274	/nfs/dbraw/zinc/44/62/74/983446274.db2.gz	YBLBUHBTZMGTRN-RXMQYKEDSA-N	-1	0	276.170	0.900	20	30		CCEDRM
C#CC[C@H](NC(=O)c1[nH]nc(CCC)c1[N+](=O)[O-])C(=O)[O-]	ZINC001588422441	983446301	/nfs/dbraw/zinc/44/63/01/983446301.db2.gz	YHLXAKSNCJZNMP-QMMMGPOBSA-N	-1	0	294.267	0.477	20	30		CCEDRM
C#CCC1(NC(=O)[C@@H](C)CC(=O)[O-])CCOCC1	ZINC001588428057	983459837	/nfs/dbraw/zinc/45/98/37/983459837.db2.gz	ZCRTYQFDKDGPSM-JTQLQIEISA-N	-1	0	253.298	0.786	20	30		CCEDRM
C#CC[C@@H](OC(=O)Cn1ccc(C(=O)[O-])n1)C1CC1	ZINC001588428166	983460200	/nfs/dbraw/zinc/46/02/00/983460200.db2.gz	DTWUORMSLLGEKZ-LLVKDONJSA-N	-1	0	262.265	0.926	20	30		CCEDRM
C#CCCNC(=O)N[C@H]1C[C@H]2C[C@H](C(=O)[O-])C[C@H]21	ZINC001588453594	983476631	/nfs/dbraw/zinc/47/66/31/983476631.db2.gz	FRYZLHZRVHNPNG-YTWAJWBKSA-N	-1	0	250.298	0.808	20	30		CCEDRM
C#CCCOC(=O)N1CCC[C@@H](n2cc(C(=O)[O-])nn2)C1	ZINC001588455477	983479793	/nfs/dbraw/zinc/47/97/93/983479793.db2.gz	NQHQTIJEYRYJLR-SNVBAGLBSA-N	-1	0	292.295	0.773	20	30		CCEDRM
C#CCN(C(=O)[C@H]1C[C@H]1C(=O)[O-])C1CCN(CCF)CC1	ZINC001588459601	983484916	/nfs/dbraw/zinc/48/49/16/983484916.db2.gz	DMVNRCKVQKQDOV-QWHCGFSZSA-N	-1	0	296.342	0.603	20	30		CCEDRM
C#CCN(C)c1nnnn1CCc1ccc(C(=O)[O-])cc1	ZINC001588464161	983493235	/nfs/dbraw/zinc/49/32/35/983493235.db2.gz	WYXKEUKHIAFDFA-UHFFFAOYSA-N	-1	0	285.307	0.683	20	30		CCEDRM
C#CCN(CC#N)C(=O)c1ccc(/C=C/C(=O)[O-])o1	ZINC001588464694	983493780	/nfs/dbraw/zinc/49/37/80/983493780.db2.gz	DHOZCQREBLUXLF-GQCTYLIASA-N	-1	0	258.233	0.976	20	30		CCEDRM
C#CCN1CCC[C@H]1COC(=O)c1cc(C(=O)[O-])nn1C	ZINC001588476456	983511299	/nfs/dbraw/zinc/51/12/99/983511299.db2.gz	CGVBLHOBONJIFL-JTQLQIEISA-N	-1	0	291.307	0.373	20	30		CCEDRM
C#CCN1CCC[C@@H](Nc2ncnc(C(=O)[O-])c2OC)C1	ZINC001588477609	983517091	/nfs/dbraw/zinc/51/70/91/983517091.db2.gz	WLOCEBKOBUVICW-SNVBAGLBSA-N	-1	0	290.323	0.693	20	30		CCEDRM
C#CCOCCC(=O)N1C[C@@H](C)[C@H](CC(=O)[O-])C1	ZINC001588490114	983530783	/nfs/dbraw/zinc/53/07/83/983530783.db2.gz	SGHIVVWMDRDBAS-GHMZBOCLSA-N	-1	0	253.298	0.596	20	30		CCEDRM
C#CCO[C@H](C)C(=O)N1C[C@H](C)[C@@](C)(C(=O)[O-])C1	ZINC001588490549	983533145	/nfs/dbraw/zinc/53/31/45/983533145.db2.gz	PBRSNNFJWOEJGY-CWSCBRNRSA-N	-1	0	253.298	0.594	20	30		CCEDRM
C#CCOCCNC(=O)Nc1ccc(C(=O)[O-])cn1	ZINC001588491172	983535495	/nfs/dbraw/zinc/53/54/95/983535495.db2.gz	GQGGLIUKEWRWRD-UHFFFAOYSA-N	-1	0	263.253	0.551	20	30		CCEDRM
C#CCSCC(=O)NCC1(CC(=O)[O-])CCOCC1	ZINC001588506263	983551264	/nfs/dbraw/zinc/55/12/64/983551264.db2.gz	NCRYELBFERDQLO-UHFFFAOYSA-N	-1	0	285.365	0.741	20	30		CCEDRM
C#Cc1ccc(C(=O)N[C@@H](Cc2ccncc2)C(=O)[O-])cn1	ZINC001588510843	983557348	/nfs/dbraw/zinc/55/73/48/983557348.db2.gz	MBYFWVUYDUSHGH-AWEZNQCLSA-N	-1	0	295.298	0.884	20	30		CCEDRM
C#Cc1ccc(C(=O)N[C@@H](C(=O)[O-])c2ccnn2C)cn1	ZINC001588511080	983558449	/nfs/dbraw/zinc/55/84/49/983558449.db2.gz	PVDSNSAHBOUVSW-GFCCVEGCSA-N	-1	0	284.275	0.352	20	30		CCEDRM
C#Cc1ccc(C(=O)N2CCC[C@]2(COC)C(=O)[O-])cn1	ZINC001588511275	983559224	/nfs/dbraw/zinc/55/92/24/983559224.db2.gz	UKCUUPNBCMWIMS-HNNXBMFYSA-N	-1	0	288.303	0.769	20	30		CCEDRM
C#C[C@H]1CC[C@H](NC(=O)NC[C@H](F)C(=O)[O-])CC1	ZINC001588511403	983559442	/nfs/dbraw/zinc/55/94/42/983559442.db2.gz	WRLDKDZPMLYXEC-GUBZILKMSA-N	-1	0	256.277	0.900	20	30		CCEDRM
C#Cc1ccc(S(=O)(=O)NCCC(=O)[O-])cc1	ZINC001588518269	983568964	/nfs/dbraw/zinc/56/89/64/983568964.db2.gz	ZABRPFYSMBLONK-UHFFFAOYSA-N	-1	0	253.279	0.421	20	30		CCEDRM
C=C(C)C(C)(C)C(=O)N[C@@H](CC1OCCO1)C(=O)[O-]	ZINC001588530190	983583837	/nfs/dbraw/zinc/58/38/37/983583837.db2.gz	UZXJULRRTCKONC-VIFPVBQESA-N	-1	0	271.313	0.921	20	30		CCEDRM
C=C(C)C[C@@H](CO)NC(=O)c1c[nH]c(C(=O)[O-])c1	ZINC001588537669	983601122	/nfs/dbraw/zinc/60/11/22/983601122.db2.gz	VNFHWHLWUWCJOH-VIFPVBQESA-N	-1	0	252.270	0.770	20	30		CCEDRM
C=C(C)C[C@H](NC(C)=O)C(=O)NCCCCC(=O)[O-]	ZINC001588547295	983619089	/nfs/dbraw/zinc/61/90/89/983619089.db2.gz	JQCOCEPUVWCHPM-NSHDSACASA-N	-1	0	270.329	0.828	20	30		CCEDRM
C=C(C)C[C@H](NC(=O)c1cccc(C(N)=O)n1)C(=O)[O-]	ZINC001588548610	983624292	/nfs/dbraw/zinc/62/42/92/983624292.db2.gz	ROQZZRWOZMHEAG-JTQLQIEISA-N	-1	0	277.280	0.330	20	30		CCEDRM
CCN(C[C@H](C)C#N)C(=O)CN1C[C@@H](C)O[C@H](C(=O)[O-])C1	ZINC001596230251	983624615	/nfs/dbraw/zinc/62/46/15/983624615.db2.gz	XXGZSAODRALWRM-UTUOFQBUSA-N	-1	0	297.355	0.168	20	30		CCEDRM
C=C(C)C[C@@H](NS(=O)(=O)c1cn(CC)cn1)C(=O)[O-]	ZINC001588555302	983634240	/nfs/dbraw/zinc/63/42/40/983634240.db2.gz	DXKLMPMNPCNNRT-SECBINFHSA-N	-1	0	287.341	0.601	20	30		CCEDRM
C=C(C)Cn1c([C@H](C)CO)nnc1N1CC[C@@H](C(=O)[O-])C1	ZINC001588589595	983667677	/nfs/dbraw/zinc/66/76/77/983667677.db2.gz	QZEAJANGDORUIN-GHMZBOCLSA-N	-1	0	294.355	0.861	20	30		CCEDRM
C=C(C)Cn1c([C@H](C)O)nnc1N1CCO[C@H](C(=O)[O-])C1	ZINC001588598971	983687321	/nfs/dbraw/zinc/68/73/21/983687321.db2.gz	BHYGXKUQWZELCA-UWVGGRQHSA-N	-1	0	296.327	0.197	20	30		CCEDRM
C=C(C)Cn1c([C@@H](C)O)nnc1N1CC[C@@](F)(C(=O)[O-])C1	ZINC001588599459	983690226	/nfs/dbraw/zinc/69/02/26/983690226.db2.gz	RCHATHBHKXVCPT-RNCFNFMXSA-N	-1	0	298.318	0.911	20	30		CCEDRM
C=C(C)Cn1c([C@H](C)O)nnc1N1CC[C@](F)(C(=O)[O-])C1	ZINC001588599460	983690305	/nfs/dbraw/zinc/69/03/05/983690305.db2.gz	RCHATHBHKXVCPT-TVQRCGJNSA-N	-1	0	298.318	0.911	20	30		CCEDRM
C=C(CCC(=O)[O-])C(=O)N(C)[C@@H]1CCCCN(C)C1=O	ZINC001588606880	983698897	/nfs/dbraw/zinc/69/88/97/983698897.db2.gz	LBVRPHZSGLLBFD-LLVKDONJSA-N	-1	0	282.340	0.877	20	30		CCEDRM
C=C(CCC(=O)[O-])C(=O)N(C)[C@H](C)[C@@H](C)S(C)(=O)=O	ZINC001588606910	983698930	/nfs/dbraw/zinc/69/89/30/983698930.db2.gz	MEVRKLVCFCBGBQ-NXEZZACHSA-N	-1	0	291.369	0.687	20	30		CCEDRM
C=C(CC)Cn1nnnc1N1C[C@@H](C)[C@H](C(=O)[O-])C1	ZINC001588606958	983699477	/nfs/dbraw/zinc/69/94/77/983699477.db2.gz	MUNYJPSGOAAHFF-NXEZZACHSA-N	-1	0	265.317	0.796	20	30		CCEDRM
C=C(CCC(=O)[O-])C(=O)N1CCC[C@H](C(=O)NC)C1	ZINC001588613695	983704708	/nfs/dbraw/zinc/70/47/08/983704708.db2.gz	CLFABMHEVREFPH-JTQLQIEISA-N	-1	0	268.313	0.392	20	30		CCEDRM
C=C(CCC(=O)[O-])C(=O)N1CC[C@H](c2ncon2)C1	ZINC001588614057	983706265	/nfs/dbraw/zinc/70/62/65/983706265.db2.gz	KKIDQUBQTKDURC-VIFPVBQESA-N	-1	0	265.269	0.807	20	30		CCEDRM
C=C(CCC(=O)[O-])C(=O)N1CC2(C1)CCNC(=O)O2	ZINC001588614074	983706273	/nfs/dbraw/zinc/70/62/73/983706273.db2.gz	LDHDVMMJHRLVLV-UHFFFAOYSA-N	-1	0	268.269	0.118	20	30		CCEDRM
C=C(CCC(=O)[O-])C(=O)N1CCC[C@H](CC(N)=O)C1	ZINC001588614089	983706697	/nfs/dbraw/zinc/70/66/97/983706697.db2.gz	LLPPIUPWKBCKFK-SNVBAGLBSA-N	-1	0	268.313	0.521	20	30		CCEDRM
C=C(CCC(=O)[O-])C(=O)N1CC[C@@H](C)[C@H](CO)C1	ZINC001588614675	983708265	/nfs/dbraw/zinc/70/82/65/983708265.db2.gz	ZKJHYYWJLVGWPL-KOLCDFICSA-N	-1	0	255.314	0.884	20	30		CCEDRM
C=C(CCC(=O)[O-])C(=O)N1CCO[C@@H](C(=O)C2CC2)C1	ZINC001588615104	983710133	/nfs/dbraw/zinc/71/01/33/983710133.db2.gz	KFUGRLLUZIIPCK-LLVKDONJSA-N	-1	0	281.308	0.614	20	30		CCEDRM
C=C(CCC(=O)[O-])C(=O)N1CCO[C@@H](COC)C1	ZINC001588619228	983715469	/nfs/dbraw/zinc/71/54/69/983715469.db2.gz	OLTNTIRHWTWCGP-SNVBAGLBSA-N	-1	0	257.286	0.281	20	30		CCEDRM
CCN(CCC#N)[C@H]1CCCN(CCC(=O)[O-])C1=O	ZINC001596299367	983723117	/nfs/dbraw/zinc/72/31/17/983723117.db2.gz	DPIDALOHZIJKJT-NSHDSACASA-N	-1	0	267.329	0.688	20	30		CCEDRM
C=C(CCC(=O)[O-])C(=O)NCCCCCS(C)(=O)=O	ZINC001588624243	983730525	/nfs/dbraw/zinc/73/05/25/983730525.db2.gz	BQCCBCFIIMFLLH-UHFFFAOYSA-N	-1	0	291.369	0.739	20	30		CCEDRM
C=C(CCC(=O)[O-])C(=O)NCc1nnc(C2CC2)n1C	ZINC001588629758	983738915	/nfs/dbraw/zinc/73/89/15/983738915.db2.gz	JTUIYKYFBMOKDD-UHFFFAOYSA-N	-1	0	278.312	0.730	20	30		CCEDRM
C=C(CO)C(=O)NC[C@H](Cc1ccccc1OC)C(=O)[O-]	ZINC001588636991	983757908	/nfs/dbraw/zinc/75/79/08/983757908.db2.gz	BUDZOLQXMLWIAO-LBPRGKRZSA-N	-1	0	293.319	0.603	20	30		CCEDRM
C=C(Cl)C[C@@H]1NC(=O)N(C[C@H](F)C(=O)[O-])C1=O	ZINC001588641524	983762341	/nfs/dbraw/zinc/76/23/41/983762341.db2.gz	DQMPTDYCBURMGL-WDSKDSINSA-N	-1	0	264.640	0.472	20	30		CCEDRM
C=C[C@@](C)(O)CC(=O)NCc1nc(C(=O)[O-])co1	ZINC001588683828	983852268	/nfs/dbraw/zinc/85/22/68/983852268.db2.gz	FQXAMQFWFGLSLL-LLVKDONJSA-N	-1	0	254.242	0.316	20	30		CCEDRM
C=C[C@@](C)(O)CC(=O)N[C@@]1(C(=O)[O-])CCSC1	ZINC001588684316	983857564	/nfs/dbraw/zinc/85/75/64/983857564.db2.gz	OPEJODDERBYKMH-MNOVXSKESA-N	-1	0	259.327	0.390	20	30		CCEDRM
C=C[C@](C)(O)CC(=O)N(C)[C@@H](COC1CCC1)C(=O)[O-]	ZINC001588684704	983863449	/nfs/dbraw/zinc/86/34/49/983863449.db2.gz	WVPGFVZGQQVKDB-FZMZJTMJSA-N	-1	0	285.340	0.794	20	30		CCEDRM
C=C[C@H](CC)CC(=O)N1C[C@@H](C(=O)[O-])[C@H](C(=O)OC)C1	ZINC001588690647	983875193	/nfs/dbraw/zinc/87/51/93/983875193.db2.gz	GOPAWMDHJKQDDS-GMTAPVOTSA-N	-1	0	283.324	0.921	20	30		CCEDRM
C=C[C@@H](COC)NS(=O)(=O)CC1(C(=O)[O-])CCCC1	ZINC001588692729	983885624	/nfs/dbraw/zinc/88/56/24/983885624.db2.gz	IWZKQGVMEXQQMH-JTQLQIEISA-N	-1	0	291.369	0.752	20	30		CCEDRM
C=C[C@H](Nc1ccn(CC(=O)OCC)n1)C(=O)[O-]	ZINC001588702179	983918697	/nfs/dbraw/zinc/91/86/97/983918697.db2.gz	LPKNDGKNLBGUBB-QMMMGPOBSA-N	-1	0	253.258	0.497	20	30		CCEDRM
C=C[C@@H](Nc1ccc(OCC(N)=O)cc1)C(=O)[O-]	ZINC001588702318	983919743	/nfs/dbraw/zinc/91/97/43/983919743.db2.gz	PXYAQRNXUXRECQ-SNVBAGLBSA-N	-1	0	250.254	0.602	20	30		CCEDRM
C=C[C@H](O)C(=O)N[C@@H](C(=O)[O-])c1ccc(OC)cc1OC	ZINC001588703924	983922520	/nfs/dbraw/zinc/92/25/20/983922520.db2.gz	BAXGHSUIILWHPO-CMPLNLGQSA-N	-1	0	295.291	0.493	20	30		CCEDRM
C=C[C@H](OC(=O)[C@H](OCC)[C@@H]1CCOC1)C(=O)[O-]	ZINC001588705080	983925929	/nfs/dbraw/zinc/92/59/29/983925929.db2.gz	KALARPOUGZUNCX-KXUCPTDWSA-N	-1	0	258.270	0.610	20	30		CCEDRM
C=C[C@H](O)C(=O)OCC(=O)c1[nH]c(C)c(C(=O)[O-])c1C	ZINC001588705328	983926367	/nfs/dbraw/zinc/92/63/67/983926367.db2.gz	LOHVECOPSJSDNH-QMMMGPOBSA-N	-1	0	281.264	0.603	20	30		CCEDRM
C=C[C@H](O)C(=O)N[C@H](C(=O)[O-])c1cccc(OC)c1	ZINC001588705622	983927807	/nfs/dbraw/zinc/92/78/07/983927807.db2.gz	ORXPRVGGGFYGOQ-QWRGUYRKSA-N	-1	0	265.265	0.484	20	30		CCEDRM
C=C[C@H](OC(=O)[C@@H]1COCCN1CC(F)(F)F)C(=O)[O-]	ZINC001588710865	983934521	/nfs/dbraw/zinc/93/45/21/983934521.db2.gz	JGSKGUHFTJZHNX-YUMQZZPRSA-N	-1	0	297.229	0.432	20	30		CCEDRM
C=CC[C@H](C(=O)[O-])N1CCO[C@@H]([C@@H]2CCCO2)C1	ZINC001588730973	984002797	/nfs/dbraw/zinc/00/27/97/984002797.db2.gz	AIWAFMJRRBEKDS-GRYCIOLGSA-N	-1	0	255.314	0.896	20	30		CCEDRM
C=CC[C@@H](CO)CNC(=O)COCc1ocnc1C(=O)[O-]	ZINC001588737297	984029353	/nfs/dbraw/zinc/02/93/53/984029353.db2.gz	IDMFFCYXFQAWRX-SECBINFHSA-N	-1	0	298.295	0.190	20	30		CCEDRM
C=CCC(F)(F)C(=O)NC[C@]1(C(=O)[O-])CCOC1	ZINC001588742681	984034117	/nfs/dbraw/zinc/03/41/17/984034117.db2.gz	IMZCNHGJDDWPBF-SNVBAGLBSA-N	-1	0	263.240	0.805	20	30		CCEDRM
C=CC[C@@H](CO)NC(=O)Nc1ccc(C(=O)[O-])cn1	ZINC001588745448	984051837	/nfs/dbraw/zinc/05/18/37/984051837.db2.gz	ZOEUWEFQXKXGOC-VIFPVBQESA-N	-1	0	265.269	0.838	20	30		CCEDRM
C=CC[C@H](OC(=O)[C@H]1CCNC(=O)CC1)C(=O)[O-]	ZINC001588753151	984082956	/nfs/dbraw/zinc/08/29/56/984082956.db2.gz	BATXNIUMVBGIIQ-BDAKNGLRSA-N	-1	0	255.270	0.475	20	30		CCEDRM
C=CC[C@H](OC(=O)/C=C\Cn1cncn1)C(=O)[O-]	ZINC001588753795	984088707	/nfs/dbraw/zinc/08/87/07/984088707.db2.gz	NKSBYLVRJUAACG-LVCFMKKZSA-N	-1	0	251.242	0.407	20	30		CCEDRM
C=CC[C@@H](OC(=O)c1nc2nc(C)cc(C)n2n1)C(=O)[O-]	ZINC001588758824	984108056	/nfs/dbraw/zinc/10/80/56/984108056.db2.gz	KCBOUTMLQLHIHB-SECBINFHSA-N	-1	0	290.279	0.927	20	30		CCEDRM
C=CC[C@H](SC[C@H](NC(C)=O)C(=O)OC)C(=O)[O-]	ZINC001588758933	984108814	/nfs/dbraw/zinc/10/88/14/984108814.db2.gz	MJLHKBVJIDSAHM-IUCAKERBSA-N	-1	0	275.326	0.427	20	30		CCEDRM
C=CCCC(=O)NCCN(C(=O)[C@@H]1C[C@@H]1C(=O)[O-])C1CC1	ZINC001588776828	984153599	/nfs/dbraw/zinc/15/35/99/984153599.db2.gz	ITPDBEMHDPYZKA-NEPJUHHUSA-N	-1	0	294.351	0.781	20	30		CCEDRM
C=CCC[C@H](CO)NC(=O)N[C@H]1C[C@@H]2C[C@]2(C(=O)[O-])C1	ZINC001588777575	984156894	/nfs/dbraw/zinc/15/68/94/984156894.db2.gz	DLTXTSZBEVSETD-PUHVVEEASA-N	-1	0	282.340	0.866	20	30		CCEDRM
C=CCCC[C@@H](NC(=O)CN(C)C(=O)OC)C(=O)[O-]	ZINC001588789075	984196088	/nfs/dbraw/zinc/19/60/88/984196088.db2.gz	XGJBYRSVLWPNHZ-SECBINFHSA-N	-1	0	272.301	0.610	20	30		CCEDRM
C=CCCC[C@H](NC(=O)C[C@@H](N)C(F)F)C(=O)[O-]	ZINC001588789638	984199951	/nfs/dbraw/zinc/19/99/51/984199951.db2.gz	GWVRRRCNFRGCIR-SFYZADRCSA-N	-1	0	264.272	0.895	20	30		CCEDRM
C=CCCNC(=O)C(=O)Nc1cc(C)[nH]c1C(=O)[O-]	ZINC001588807464	984259958	/nfs/dbraw/zinc/25/99/58/984259958.db2.gz	KYTMRTNAHOSYRD-UHFFFAOYSA-N	-1	0	265.269	0.652	20	30		CCEDRM
C=CCCO[C@H](C)C(=O)N[C@@](CC)(COC)C(=O)[O-]	ZINC001588809090	984265234	/nfs/dbraw/zinc/26/52/34/984265234.db2.gz	ZKMOWGLYYRURNH-MFKMUULPSA-N	-1	0	273.329	0.964	20	30		CCEDRM
C=CCCOCC(=O)N[C@@H](Cn1ccnc1)C(=O)[O-]	ZINC001588810312	984266305	/nfs/dbraw/zinc/26/63/05/984266305.db2.gz	IKANRHYZGVDIJJ-JTQLQIEISA-N	-1	0	267.285	0.045	20	30		CCEDRM
C=CCN(C)c1nnnn1[C@H]1CC[C@@H](C(=O)[O-])C1	ZINC001588823987	984295719	/nfs/dbraw/zinc/29/57/19/984295719.db2.gz	JJKLNPCLVJJCIH-BDAKNGLRSA-N	-1	0	251.290	0.721	20	30		CCEDRM
C=CCN(CC(=O)OCC)C(=O)c1cc(C(=O)[O-])nn1C	ZINC001588824104	984296069	/nfs/dbraw/zinc/29/60/69/984296069.db2.gz	SJOSILNEKDHORV-UHFFFAOYSA-N	-1	0	295.295	0.310	20	30		CCEDRM
C=CCN(CC=C)C(=O)CN[C@@H](C(=O)[O-])c1ccnn1C	ZINC001588825552	984301683	/nfs/dbraw/zinc/30/16/83/984301683.db2.gz	UCWVEVILLGVURA-CYBMUJFWSA-N	-1	0	292.339	0.336	20	30		CCEDRM
C=CCN(CCC#N)CN1C[C@H](C(=O)[O-])CC1=O	ZINC001588826321	984302801	/nfs/dbraw/zinc/30/28/01/984302801.db2.gz	ARFZJWQSOBVOOW-SNVBAGLBSA-N	-1	0	251.286	0.279	20	30		CCEDRM
C=CCN1CC(=O)N(Cc2ncc(C(=O)[O-])s2)C1=O	ZINC001588836527	984328098	/nfs/dbraw/zinc/32/80/98/984328098.db2.gz	AKHQLBWXQHRDLF-UHFFFAOYSA-N	-1	0	281.293	0.792	20	30		CCEDRM
C=CCN1CC[C@@H](N(C)C(=O)c2cc(C(=O)[O-])co2)C1=O	ZINC001588836833	984330443	/nfs/dbraw/zinc/33/04/43/984330443.db2.gz	JXNXOPQZCSFGCN-SNVBAGLBSA-N	-1	0	292.291	0.837	20	30		CCEDRM
C=CCOC[C@@H](NC(=O)C(C)(C)OC(C)=O)C(=O)[O-]	ZINC001588850736	984379865	/nfs/dbraw/zinc/37/98/65/984379865.db2.gz	BDQAPWXDOPGBHA-SECBINFHSA-N	-1	0	273.285	0.100	20	30		CCEDRM
C=CCOC[C@H](NC(=O)C(C)(C)c1c[nH]cn1)C(=O)[O-]	ZINC001588850953	984381650	/nfs/dbraw/zinc/38/16/50/984381650.db2.gz	LJIARDHWKRHSIP-VIFPVBQESA-N	-1	0	281.312	0.459	20	30		CCEDRM
C=CCOC[C@@H](NC(=O)/C=C/C1CCOCC1)C(=O)[O-]	ZINC001588853836	984387018	/nfs/dbraw/zinc/38/70/18/984387018.db2.gz	JLYJWURHEWMZMI-AAOUONPWSA-N	-1	0	283.324	0.741	20	30		CCEDRM
C=CCOC[C@H](NC(=O)CC1(C#N)CCOCC1)C(=O)[O-]	ZINC001588853907	984387330	/nfs/dbraw/zinc/38/73/30/984387330.db2.gz	LBXZXJUWDPAOON-NSHDSACASA-N	-1	0	296.323	0.469	20	30		CCEDRM
C=CCOC[C@@H](NC(=O)CCc1cn[nH]c1)C(=O)[O-]	ZINC001588853921	984387720	/nfs/dbraw/zinc/38/77/20/984387720.db2.gz	LKUQIYQQBJSZJQ-SNVBAGLBSA-N	-1	0	267.285	0.114	20	30		CCEDRM
C=CCOC[C@H](NC(=O)C12CC(C(=O)[O-])(C1)C2)C(=O)OC	ZINC001588856320	984398755	/nfs/dbraw/zinc/39/87/55/984398755.db2.gz	YAHIGWGNIOZPFX-SQNUNTJVSA-N	-1	0	297.307	0.102	20	30		CCEDRM
C=CCOC[C@H](NC(=O)Cc1cnn(C)c1C)C(=O)[O-]	ZINC001588856649	984401476	/nfs/dbraw/zinc/40/14/76/984401476.db2.gz	OGCPARCXQVDQNF-NSHDSACASA-N	-1	0	281.312	0.043	20	30		CCEDRM
C=CCOC[C@H](NC(=O)c1nccn2ccnc12)C(=O)[O-]	ZINC001588859980	984409767	/nfs/dbraw/zinc/40/97/67/984409767.db2.gz	DNIGULREOMZBRJ-VIFPVBQESA-N	-1	0	290.279	0.115	20	30		CCEDRM
C=CCOC[C@H](NC(=O)c1cccc(C#N)n1)C(=O)[O-]	ZINC001588861322	984415133	/nfs/dbraw/zinc/41/51/33/984415133.db2.gz	FCNYHYYCFKFUIP-NSHDSACASA-N	-1	0	275.264	0.339	20	30		CCEDRM
C=CCOC[C@H](NC(=O)c1ccc(NC=O)cc1)C(=O)[O-]	ZINC001588861368	984415471	/nfs/dbraw/zinc/41/54/71/984415471.db2.gz	GOYGUGHXFTWDHJ-LBPRGKRZSA-N	-1	0	292.291	0.641	20	30		CCEDRM
C=CCOC[C@H](NC(=O)c1cccc(F)n1)C(=O)[O-]	ZINC001588862072	984417512	/nfs/dbraw/zinc/41/75/12/984417512.db2.gz	PWCBNGPPMZUBJE-VIFPVBQESA-N	-1	0	268.244	0.606	20	30		CCEDRM
C=CCOCCN1CCN(C(=O)[C@H]2C[C@H]2C(=O)[O-])CC1	ZINC001588869202	984438694	/nfs/dbraw/zinc/43/86/94/984438694.db2.gz	ZDXUYRYYOVYLKA-NWDGAFQWSA-N	-1	0	282.340	0.054	20	30		CCEDRM
C=CCn1cc(C(=O)Nc2ccc(C(=O)[O-])nc2)nn1	ZINC001588910423	984549541	/nfs/dbraw/zinc/54/95/41/984549541.db2.gz	XQRFZYJGTVJPMF-UHFFFAOYSA-N	-1	0	273.252	0.810	20	30		CCEDRM
C=CCn1nnnc1N1C[C@H](C)[C@@](C)(C(=O)[O-])C1	ZINC001588912897	984553085	/nfs/dbraw/zinc/55/30/85/984553085.db2.gz	RLVRJVSUUWHVNJ-KWQFWETISA-N	-1	0	251.290	0.406	20	30		CCEDRM
C=C[C@@H]1OCCC[C@H]1NC(=O)N1C[C@@H](C)O[C@H](C(=O)[O-])C1	ZINC001588914476	984558367	/nfs/dbraw/zinc/55/83/67/984558367.db2.gz	YATBOLJVWUCGIZ-WYUUTHIRSA-N	-1	0	298.339	0.604	20	30		CCEDRM
C=C[C@@H]1OCC[C@H]1NC(=O)CCSCC(=O)[O-]	ZINC001588917820	984567661	/nfs/dbraw/zinc/56/76/61/984567661.db2.gz	BHFYNTGERSSNIV-BDAKNGLRSA-N	-1	0	259.327	0.654	20	30		CCEDRM
CC#CC[C@H](CO)NC(=O)N[C@H]1CC[C@@H](CC(=O)[O-])C1	ZINC001588926318	984593136	/nfs/dbraw/zinc/59/31/36/984593136.db2.gz	RPERYYJSLSVKIZ-GRYCIOLGSA-N	-1	0	282.340	0.703	20	30		CCEDRM
CC#CC[C@H](CO)NC(=O)c1cccc(CC(=O)[O-])c1	ZINC001588926409	984593703	/nfs/dbraw/zinc/59/37/03/984593703.db2.gz	WINAISHDCWHDGK-CYBMUJFWSA-N	-1	0	275.304	0.818	20	30		CCEDRM
CC#CCn1nnnc1N1CC[C@@H](C(=O)[O-])[C@@H](C)C1	ZINC001588931816	984604056	/nfs/dbraw/zinc/60/40/56/984604056.db2.gz	CGBPWGMLXVVAAS-VHSXEESVSA-N	-1	0	263.301	0.243	20	30		CCEDRM
CC(=NO[C@H](C)C(N)=O)c1ccc(OCC(=O)[O-])cc1	ZINC001589017269	985002433	/nfs/dbraw/zinc/00/24/33/985002433.db2.gz	GZMVGDHRIQECJA-SECBINFHSA-N	-1	0	280.280	0.764	20	30		CCEDRM
C[C@@H](C#N)OCCOC(=O)c1ccc(C(=O)[O-])[nH]1	ZINC001589331495	986186596	/nfs/dbraw/zinc/18/65/96/986186596.db2.gz	GJRBTOQEXLRXMT-ZETCQYMHSA-N	-1	0	252.226	0.798	20	30		CCEDRM
Cc1c(C(=O)[O-])cc(C=NN2CCN(C)CC2)n1C	ZINC001599984488	986209677	/nfs/dbraw/zinc/20/96/77/986209677.db2.gz	MYWPXFKMSOHPET-UHFFFAOYSA-N	-1	0	264.329	0.613	20	30		CCEDRM
C[C@@H](C(=O)N(CC#N)CCC(=O)[O-])n1ccnc1	ZINC001589341647	986254667	/nfs/dbraw/zinc/25/46/67/986254667.db2.gz	KCUJAOMEOVIKOP-VIFPVBQESA-N	-1	0	250.258	0.271	20	30		CCEDRM
C[C@@H](C(=O)N1CCC[C@H]1CC(=O)[O-])n1cnc(C#N)n1	ZINC001589356377	986336915	/nfs/dbraw/zinc/33/69/15/986336915.db2.gz	KIKNHGDLCSYYTP-IUCAKERBSA-N	-1	0	277.284	0.176	20	30		CCEDRM
C[C@@H]1CN(c2ccc(C(=O)[O-])nc2C#N)C[C@@H](CO)O1	ZINC001594569797	986383793	/nfs/dbraw/zinc/38/37/93/986383793.db2.gz	QXDNRHZQAGRADJ-BDAKNGLRSA-N	-1	0	277.280	0.237	20	30		CCEDRM
C[C@H](C(=O)NCCCCC(=O)[O-])n1cnc(C#N)n1	ZINC001589407609	986599774	/nfs/dbraw/zinc/59/97/74/986599774.db2.gz	WHATWOKIKLWWHD-MRVPVSSYSA-N	-1	0	265.273	0.082	20	30		CCEDRM
CC(C)(C)[C@@H](C#N)NC(=O)CN1CCC[C@@H](C(=O)[O-])C1=O	ZINC001589699657	987786716	/nfs/dbraw/zinc/78/67/16/987786716.db2.gz	OZOHZLXZBHPIRO-NXEZZACHSA-N	-1	0	295.339	0.364	20	30		CCEDRM
CCc1cc(C(=O)[O-])ccc1NCC(=O)NCC#N	ZINC001597466465	987914143	/nfs/dbraw/zinc/91/41/43/987914143.db2.gz	VCXSWWCEBYMHHE-UHFFFAOYSA-N	-1	0	261.281	0.999	20	30		CCEDRM
CCc1oc(C(=O)[O-])cc1S(=O)(=O)N(CC#N)CC#N	ZINC001597773347	989248233	/nfs/dbraw/zinc/24/82/33/989248233.db2.gz	XZUCATXSKWDNQT-UHFFFAOYSA-N	-1	0	297.292	0.578	20	30		CCEDRM
C[C@@H]1CN(S(=O)(=O)CC2(C#N)CC2)C[C@H]1C(=O)[O-]	ZINC001599867812	989299369	/nfs/dbraw/zinc/29/93/69/989299369.db2.gz	UCICOCWFLCXDCT-RKDXNWHRSA-N	-1	0	272.326	0.272	20	30		CCEDRM
CC(C)(C)OC(=O)N[C@@H](CCC(=O)[O-])C(=O)NCC#N	ZINC001590117311	989321076	/nfs/dbraw/zinc/32/10/76/989321076.db2.gz	LBKBZOYTWDETKB-QMMMGPOBSA-N	-1	0	285.300	0.384	20	30		CCEDRM
CCc1oc(C=Nn2c(=O)cn[nH]c2=S)cc1C(=O)[O-]	ZINC001597792773	989336049	/nfs/dbraw/zinc/33/60/49/989336049.db2.gz	KCXVHMPTEMIZCZ-UHFFFAOYSA-N	-1	0	294.292	0.663	20	30		CCEDRM
CC(C)(CCN=Nc1ccc(C(N)=O)nn1)C(=O)[O-]	ZINC001590653998	990344587	/nfs/dbraw/zinc/34/45/87/990344587.db2.gz	HWURKVQOYJQFRQ-UHFFFAOYSA-N	-1	0	265.273	0.474	20	30		CCEDRM
CC(C)(CCNC(=O)N1CCN(CCC#N)CC1)C(=O)[O-]	ZINC001590675872	990387327	/nfs/dbraw/zinc/38/73/27/990387327.db2.gz	NFZAKCALQWUKMT-UHFFFAOYSA-N	-1	0	296.371	0.728	20	30		CCEDRM
CC(C)(CNC(=O)N1CC[C@@](F)(C#N)C1)C(=O)[O-]	ZINC001590716084	990474409	/nfs/dbraw/zinc/47/44/09/990474409.db2.gz	LJNNMLMSJQOMQN-LLVKDONJSA-N	-1	0	257.265	0.744	20	30		CCEDRM
CN([C@@]1(C#N)CCOC1)S(=O)(=O)c1c[nH]c(C(=O)[O-])c1	ZINC001598365194	991514460	/nfs/dbraw/zinc/51/44/60/991514460.db2.gz	ZWKDAVAUVFPLPJ-LLVKDONJSA-N	-1	0	299.308	0.016	20	30		CCEDRM
COc1cnc(C(=O)N2CCC(C#N)(C(=O)[O-])CC2)nc1	ZINC001599723003	991571316	/nfs/dbraw/zinc/57/13/16/991571316.db2.gz	ADMLSGADYCYNFK-UHFFFAOYSA-N	-1	0	290.279	0.316	20	30		CCEDRM
CN(CC(C)(C)C#N)S(=O)(=O)CC(C)(C)C(=O)[O-]	ZINC001598419099	991752214	/nfs/dbraw/zinc/75/22/14/991752214.db2.gz	BXYOPVUWAWXXEB-UHFFFAOYSA-N	-1	0	276.358	0.909	20	30		CCEDRM
CC(C)C[C@@H](C(=O)N(CC#N)CC(=O)[O-])n1ccnc1	ZINC001591118182	991781823	/nfs/dbraw/zinc/78/18/23/991781823.db2.gz	NHSHIWZYUGLXPJ-NSHDSACASA-N	-1	0	278.312	0.907	20	30		CCEDRM
CN(C[C@@H](O)c1cccc(C#N)c1)C(=O)COCC(=O)[O-]	ZINC001598436481	991830243	/nfs/dbraw/zinc/83/02/43/991830243.db2.gz	GZZXVAZAFNMPCP-GFCCVEGCSA-N	-1	0	292.291	0.151	20	30		CCEDRM
CC(C)C[C@H](NC(=O)CN([C@H](C)C#N)C1CC1)C(=O)[O-]	ZINC001591162902	991927528	/nfs/dbraw/zinc/92/75/28/991927528.db2.gz	ZCQCYWOMIUZTHD-PWSUYJOCSA-N	-1	0	281.356	0.978	20	30		CCEDRM
CN(CCN1CCOCC1)c1ccc(C(=O)[O-])nc1C#N	ZINC001598489166	992257691	/nfs/dbraw/zinc/25/76/91/992257691.db2.gz	XKHJGPCIQKSSSX-UHFFFAOYSA-N	-1	0	290.323	0.420	20	30		CCEDRM
CC(C)N(CCC(=O)[O-])C(=O)[C@H](C)n1cnc(C#N)n1	ZINC001591575461	992786064	/nfs/dbraw/zinc/78/60/64/992786064.db2.gz	CHWWHSZCBSADDH-VIFPVBQESA-N	-1	0	279.300	0.422	20	30		CCEDRM
CN(Cn1nc(C(=O)[O-])ccc1=O)[C@@H]1CCC[C@@H]1C#N	ZINC001598540913	992899436	/nfs/dbraw/zinc/89/94/36/992899436.db2.gz	FZWOVXMEFOLXBD-MWLCHTKSSA-N	-1	0	276.296	0.523	20	30		CCEDRM
CN1C[C@H](C(=O)[O-])N(CCCCC(C)(C)C#N)CC1=O	ZINC001598564390	993125615	/nfs/dbraw/zinc/12/56/15/993125615.db2.gz	TTXVUBYNSUHHDU-LLVKDONJSA-N	-1	0	281.356	0.934	20	30		CCEDRM
COc1ccc(O)c(C(=O)N(CC#N)CCC(=O)[O-])c1	ZINC001599598096	993776207	/nfs/dbraw/zinc/77/62/07/993776207.db2.gz	HQKLTEOOORRUDX-UHFFFAOYSA-N	-1	0	278.264	0.841	20	30		CCEDRM
C/N=C1/NC(=O)/C(=C\c2ccc(C(=O)[O-])n2C)S1	ZINC001598664038	994644735	/nfs/dbraw/zinc/64/47/35/994644735.db2.gz	CSAAOQMBIFKAAX-VMPITWQZSA-N	-1	0	265.294	0.913	20	30		CCEDRM
COc1cccc(C[C@@H](NC(=O)CC#N)C(=O)[O-])c1	ZINC001599668632	994773079	/nfs/dbraw/zinc/77/30/79/994773079.db2.gz	IPPWCTRWUNWFSN-LLVKDONJSA-N	-1	0	262.265	0.721	20	30		CCEDRM
COC(=O)[C@@H]1C[C@@H](C(=O)[O-])CCN1Cc1ccc(C#N)o1	ZINC001598758712	995752388	/nfs/dbraw/zinc/75/23/88/995752388.db2.gz	LYHDVQPONHJBPZ-CABZTGNLSA-N	-1	0	292.291	0.989	20	30		CCEDRM
COC(=O)[C@@H]1CC[C@H](C(=O)[O-])N(Cc2ccc(C#N)o2)C1	ZINC001598775809	995928678	/nfs/dbraw/zinc/92/86/78/995928678.db2.gz	JDKVGGFFCHKJAQ-BXKDBHETSA-N	-1	0	292.291	0.989	20	30		CCEDRM
COC(=O)C1CCC(NC(=O)CC#N)(C(=O)[O-])CC1	ZINC001598785081	996021790	/nfs/dbraw/zinc/02/17/90/996021790.db2.gz	PXKAVRMAIDOCRI-UHFFFAOYSA-N	-1	0	268.269	0.203	20	30		CCEDRM
C[C@@H](c1nnnn1C1CC1)N1CCC(C#N)(C(=O)[O-])CC1	ZINC001593737205	996332367	/nfs/dbraw/zinc/33/23/67/996332367.db2.gz	FAYVNNQNKLFHEX-VIFPVBQESA-N	-1	0	290.327	0.759	20	30		CCEDRM
C[C@H](c1nnnn1C1CC1)N1CCC(C#N)(C(=O)[O-])CC1	ZINC001593737202	996332672	/nfs/dbraw/zinc/33/26/72/996332672.db2.gz	FAYVNNQNKLFHEX-SECBINFHSA-N	-1	0	290.327	0.759	20	30		CCEDRM
C[C@]1(C#N)CN(C(=O)N[C@H]2C[C@H](C(=O)[O-])C2)CCO1	ZINC001593743605	996369858	/nfs/dbraw/zinc/36/98/58/996369858.db2.gz	WITWTILHWLGVCT-AUTRQRHGSA-N	-1	0	267.285	0.174	20	30		CCEDRM
C[C@@]1(C#N)CN(C(=O)c2c[nH]c(C(=O)[O-])c2)CCO1	ZINC001593743650	996370273	/nfs/dbraw/zinc/37/02/73/996370273.db2.gz	XPGCNJDRHSNXJG-GFCCVEGCSA-N	-1	0	263.253	0.468	20	30		CCEDRM
CC1(C)C[C@]1(C#N)NS(=O)(=O)c1ccc(C(=O)[O-])o1	ZINC001593863488	996663441	/nfs/dbraw/zinc/66/34/41/996663441.db2.gz	GSYQBBLDMIQFPA-LLVKDONJSA-N	-1	0	284.293	0.948	20	30		CCEDRM
COC(=O)CN(CC#N)C(=O)c1ccc(/C=C\C(=O)[O-])o1	ZINC001598860705	996672480	/nfs/dbraw/zinc/67/24/80/996672480.db2.gz	FHOJTZKCDNNCMX-HYXAFXHYSA-N	-1	0	292.247	0.516	20	30		CCEDRM
COC(=O)CN(CC#N)C(=O)/C=C\c1cc(C(=O)[O-])co1	ZINC001598860745	996672677	/nfs/dbraw/zinc/67/26/77/996672677.db2.gz	GHRLSPCFHBIAPG-IHWYPQMZSA-N	-1	0	292.247	0.516	20	30		CCEDRM
CC1(C)CCCN(CN2C[C@H](C(=O)[O-])CC2=O)[C@H]1C#N	ZINC001593910491	996793728	/nfs/dbraw/zinc/79/37/28/996793728.db2.gz	VRJPKAFTIZFECW-MNOVXSKESA-N	-1	0	279.340	0.891	20	30		CCEDRM
COC[C@H](NC(=O)c1sccc1C#N)C(=O)[O-]	ZINC001599174644	996818967	/nfs/dbraw/zinc/81/89/67/996818967.db2.gz	WICHUAMQQNIHRK-ZETCQYMHSA-N	-1	0	254.267	0.449	20	30		CCEDRM
COc1cc(C)cnc1C(=O)N(CC#N)CC(=O)[O-]	ZINC001599394776	997105280	/nfs/dbraw/zinc/10/52/80/997105280.db2.gz	ADUIABDQLRHEQB-UHFFFAOYSA-N	-1	0	263.253	0.449	20	30		CCEDRM
COc1cc(/C=C\C(=O)c2cn(CC(=O)[O-])nn2)sn1	ZINC001599399345	997186724	/nfs/dbraw/zinc/18/67/24/997186724.db2.gz	GLPDETVXPFIXIM-IHWYPQMZSA-N	-1	0	294.292	0.724	20	30		CCEDRM
COCc1nc(C)c(C(=O)N(CC#N)CC(=O)[O-])s1	ZINC001599300696	997227141	/nfs/dbraw/zinc/22/71/41/997227141.db2.gz	MWDJASNXGDCQJN-UHFFFAOYSA-N	-1	0	283.309	0.648	20	30		CCEDRM
COC(=O)[C@H]1CCCC[C@H]1C(=O)N(CC#N)CCC(=O)[O-]	ZINC001598905533	997256742	/nfs/dbraw/zinc/25/67/42/997256742.db2.gz	RXOPQAYCEQLIHM-MNOVXSKESA-N	-1	0	296.323	0.793	20	30		CCEDRM
CON=CC(=O)N1CCN(c2ccc(C(=O)[O-])s2)CC1	ZINC001599320010	997564283	/nfs/dbraw/zinc/56/42/83/997564283.db2.gz	KMKAASFEDFTMOT-UHFFFAOYSA-N	-1	0	297.336	0.727	20	30		CCEDRM
CO[C@H]1CCN(C(=O)c2ccc(C#N)o2)[C@@H](C(=O)[O-])C1	ZINC001599119410	997711260	/nfs/dbraw/zinc/71/12/60/997711260.db2.gz	CPFAWKAAZWFBCW-WCBMZHEXSA-N	-1	0	278.264	0.855	20	30		CCEDRM
COCCN(CC#N)C(=O)c1ccc(/C=C\C(=O)[O-])o1	ZINC001599231602	997868979	/nfs/dbraw/zinc/86/89/79/997868979.db2.gz	VVDLPVLGDGQQJW-HYXAFXHYSA-N	-1	0	278.264	0.990	20	30		CCEDRM
COCC#CC(=O)N[C@H](C(=O)[O-])c1cccc(OC)c1	ZINC001599138412	998083937	/nfs/dbraw/zinc/08/39/37/998083937.db2.gz	KVMVWTGGDFUDRW-ZDUSSCGKSA-N	-1	0	277.276	0.587	20	30		CCEDRM
COC[C@H](C#N)OC(=O)CCc1ocnc1C(=O)[O-]	ZINC001599143926	998179593	/nfs/dbraw/zinc/17/95/93/998179593.db2.gz	LFEIWUHPUDQZRC-ZETCQYMHSA-N	-1	0	268.225	0.387	20	30		CCEDRM
COC(=O)c1ccc(C(=O)N(CC#N)CCC(=O)[O-])cc1	ZINC001598956707	998254776	/nfs/dbraw/zinc/25/47/76/998254776.db2.gz	RAAHQJWULKWHGD-UHFFFAOYSA-N	-1	0	290.275	0.914	20	30		CCEDRM
COC[C@H](NC(=O)[C@H](C#N)CCc1ccccc1)C(=O)[O-]	ZINC001599170678	998606273	/nfs/dbraw/zinc/60/62/73/998606273.db2.gz	ZQQXQVJHFKBPQN-STQMWFEESA-N	-1	0	290.319	0.975	20	30		CCEDRM
COC[C@H](NC(=O)c1cc(C#N)oc1C)C(=O)[O-]	ZINC001599173151	998633178	/nfs/dbraw/zinc/63/31/78/998633178.db2.gz	FMGXBCHVIWHCAG-VIFPVBQESA-N	-1	0	252.226	0.289	20	30		CCEDRM
CCN(CC)C(=O)CCC(=O)Nc1nc(C#N)c(C#N)[n-]1	ZINC000125203257	187174416	/nfs/dbraw/zinc/17/44/16/187174416.db2.gz	GNBJCPLNXMQMBE-UHFFFAOYSA-N	-1	0	288.311	0.740	20	30		CCEDRM
CC(C)[C@H](CNC(=O)N1CCO[C@@H](C#N)C1)C(=O)[O-]	ZINC000093937524	349557381	/nfs/dbraw/zinc/55/73/81/349557381.db2.gz	JFYLKOLSWRGZAO-UWVGGRQHSA-N	-1	0	269.301	0.277	20	30		CCEDRM
CO[C@H]1CN(S(=O)(=O)CCCC#N)[C@](C)(C(=O)[O-])C1	ZINC000600659319	362026834	/nfs/dbraw/zinc/02/68/34/362026834.db2.gz	OETQMEWUUJQMTP-KOLCDFICSA-N	-1	0	290.341	0.184	20	30		CCEDRM
CC(C)[C@H](C#N)[N-]S(=O)(=O)c1nn(C)cc1[N+](=O)[O-]	ZINC000600666831	362028249	/nfs/dbraw/zinc/02/82/49/362028249.db2.gz	GMMGHZKCRDTHMA-ZETCQYMHSA-N	-1	0	287.301	0.155	20	30		CCEDRM
C=CCCNC(=O)N1C[C@H](C(=O)OC)CC[C@H]1C(=O)[O-]	ZINC000600944552	362094928	/nfs/dbraw/zinc/09/49/28/362094928.db2.gz	UPZCMIURHCBEAW-ZJUUUORDSA-N	-1	0	284.312	0.610	20	30		CCEDRM
Cc1[n-][nH]c(=NC(=O)[C@@H]2C[C@H]2c2cncn2C)c1C#N	ZINC000600828111	362074592	/nfs/dbraw/zinc/07/45/92/362074592.db2.gz	ZCUXBEUFSNLAMF-RKDXNWHRSA-N	-1	0	270.296	0.487	20	30		CCEDRM
C=C(C)C[C@@H](NC(=O)CCn1cc([N+](=O)[O-])cn1)C(=O)[O-]	ZINC000600872135	362083751	/nfs/dbraw/zinc/08/37/51/362083751.db2.gz	HXLCOYCPJQMJNZ-SNVBAGLBSA-N	-1	0	296.283	0.717	20	30		CCEDRM
C[C@@H]1C[C@H](C(=O)[O-])CCN1S(=O)(=O)CCCC#N	ZINC000600894013	362091333	/nfs/dbraw/zinc/09/13/33/362091333.db2.gz	GWWDAPNLEFVSHJ-NXEZZACHSA-N	-1	0	274.342	0.805	20	30		CCEDRM
C[C@@H]1CN(C(=O)N=c2[n-]ncs2)C[C@H](C)N1CC#N	ZINC000601225753	362184410	/nfs/dbraw/zinc/18/44/10/362184410.db2.gz	OYJBIHRUGQPRNI-DTORHVGOSA-N	-1	0	280.357	0.410	20	30		CCEDRM
Cc1n[n-]c(=NC(=O)N2C[C@@H](C)N(CC#N)[C@H](C)C2)s1	ZINC000601225207	362182611	/nfs/dbraw/zinc/18/26/11/362182611.db2.gz	LHPFVIWJTJOVIA-RKDXNWHRSA-N	-1	0	294.384	0.719	20	30		CCEDRM
COc1n[nH]c([N-]S(=O)(=O)c2ccc(C#N)cc2C)n1	ZINC000179645601	231827290	/nfs/dbraw/zinc/82/72/90/231827290.db2.gz	ZIMCWTCQCXRTHC-UHFFFAOYSA-N	-1	0	293.308	0.794	20	30		CCEDRM
CN(CC1CCCC1)C(=O)Cn1cc(C#N)c(=O)[n-]c1=O	ZINC000602087025	362477468	/nfs/dbraw/zinc/47/74/68/362477468.db2.gz	WDNCCVBVOJWELA-UHFFFAOYSA-N	-1	0	290.323	0.469	20	30		CCEDRM
C[C@@H]1CC[C@@H](C)N(C(=O)Cn2cc(C#N)c(=O)[n-]c2=O)C1	ZINC000602109564	362494373	/nfs/dbraw/zinc/49/43/73/362494373.db2.gz	SGJJTDBJOQFKPU-NXEZZACHSA-N	-1	0	290.323	0.468	20	30		CCEDRM
CN(Cc1nccn1C)C(=O)N=c1cn[n-]s1	ZINC000330258402	530027599	/nfs/dbraw/zinc/02/75/99/530027599.db2.gz	MIPVEEBXWCTPES-UHFFFAOYSA-N	-1	0	252.303	0.949	20	30		CCEDRM
CC(C)[C@H]1CCN1C(=O)Cn1cc(C#N)c(=O)[n-]c1=O	ZINC000602132157	362512047	/nfs/dbraw/zinc/51/20/47/362512047.db2.gz	GZIQGSLXPNMUFH-SNVBAGLBSA-N	-1	0	276.296	0.077	20	30		CCEDRM
C=CC[C@@H]1CCN(C(=O)Cn2cc(C#N)c(=O)[n-]c2=O)C1	ZINC000602190099	362548838	/nfs/dbraw/zinc/54/88/38/362548838.db2.gz	RRYCRNJBLZPNCX-SNVBAGLBSA-N	-1	0	288.307	0.245	20	30		CCEDRM
N#Cc1ccnc(NCc2n[nH]c(=O)[n-]2)c1Cl	ZINC000342501139	137097652	/nfs/dbraw/zinc/09/76/52/137097652.db2.gz	AEXRYFRADAZCJD-UHFFFAOYSA-N	-1	0	250.649	0.464	20	30		CCEDRM
COCc1nc(=NC(=O)c2ccc(C#N)nc2)s[n-]1	ZINC000344045873	137174928	/nfs/dbraw/zinc/17/49/28/137174928.db2.gz	JPBVVHQOUZUPSL-UHFFFAOYSA-N	-1	0	275.293	0.625	20	30		CCEDRM
N#Cc1ccc(NC(=O)N2C[C@H](O)C[C@H]2C(=O)[O-])cc1	ZINC000019260142	348058955	/nfs/dbraw/zinc/05/89/55/348058955.db2.gz	KMFLWYJULWMCFI-MNOVXSKESA-N	-1	0	275.264	0.610	20	30		CCEDRM
C[C@@H]1SCC[C@H]1NC(=O)N=c1[n-]n(C)cc1C#N	ZINC000602889675	362867505	/nfs/dbraw/zinc/86/75/05/362867505.db2.gz	ZDNUXNYHPSWCEJ-IONNQARKSA-N	-1	0	265.342	0.729	20	30		CCEDRM
CN(Cc1ccns1)C(=O)N=c1[n-]n(C)cc1C#N	ZINC000602880024	362860648	/nfs/dbraw/zinc/86/06/48/362860648.db2.gz	CWROGIHBYWFZKK-UHFFFAOYSA-N	-1	0	276.325	0.834	20	30		CCEDRM
N#Cc1ccc(C(=O)N2CCO[C@@H](C(=O)[O-])C2)cc1	ZINC000043700445	348312504	/nfs/dbraw/zinc/31/25/04/348312504.db2.gz	VCHMPIUTKVREDP-LLVKDONJSA-N	-1	0	260.249	0.484	20	30		CCEDRM
COCC[C@H](NS(=O)(=O)c1ccccc1C#N)C(=O)[O-]	ZINC000052785965	348514486	/nfs/dbraw/zinc/51/44/86/348514486.db2.gz	IIYZASHGLXWIOJ-JTQLQIEISA-N	-1	0	298.320	0.326	20	30		CCEDRM
N#Cc1ccc(S(=O)(=O)N[C@]2(C(=O)[O-])CCOC2)cc1	ZINC000085856043	349336697	/nfs/dbraw/zinc/33/66/97/349336697.db2.gz	GZJDEWXHTAOVLR-GFCCVEGCSA-N	-1	0	296.304	0.080	20	30		CCEDRM
N#CCCCCS(=O)(=O)N1C[C@H]2C[C@@]2(C(=O)[O-])C1	ZINC000573854754	334971954	/nfs/dbraw/zinc/97/19/54/334971954.db2.gz	YIEKFDZVIVIKRL-MWLCHTKSSA-N	-1	0	272.326	0.417	20	30		CCEDRM
C=CCN(CC=C)S(=O)(=O)c1n[nH]cc1C(=O)OC	ZINC000603264463	363034096	/nfs/dbraw/zinc/03/40/96/363034096.db2.gz	HXBIBPIHCXNBSY-UHFFFAOYSA-N	-1	0	285.325	0.559	20	30		CCEDRM
C[C@@H](NS(=O)(=O)c1ccc(C#N)s1)C(=O)[O-]	ZINC000230322767	352112058	/nfs/dbraw/zinc/11/20/58/352112058.db2.gz	HWBSYGRNGUNKOW-RXMQYKEDSA-N	-1	0	260.296	0.371	20	30		CCEDRM
C[C@H](Cn1ccnc1)NS(=O)(=O)c1cccnc1C#N	ZINC000235499888	352184073	/nfs/dbraw/zinc/18/40/73/352184073.db2.gz	LARAAEFDKWBFCI-SNVBAGLBSA-N	-1	0	291.336	0.517	20	30		CCEDRM
Cc1cc(S(=O)(=O)NC[C@@H](C)C(=O)[O-])ccc1C#N	ZINC000235481027	352184625	/nfs/dbraw/zinc/18/46/25/352184625.db2.gz	BBOFVLVHSAHCSW-SECBINFHSA-N	-1	0	282.321	0.866	20	30		CCEDRM
N#Cc1c(N)n[nH]c1CCCNc1ncccc1C(=O)[O-]	ZINC000604455606	363197197	/nfs/dbraw/zinc/19/71/97/363197197.db2.gz	DNASZDBOMDJETE-UHFFFAOYSA-N	-1	0	286.295	0.832	20	30		CCEDRM
CC#CC[C@H](NS(=O)(=O)CCCCOC)C(=O)[O-]	ZINC000274929559	353173778	/nfs/dbraw/zinc/17/37/78/353173778.db2.gz	CDLJEEBGIADEMM-JTQLQIEISA-N	-1	0	277.342	0.199	20	30		CCEDRM
C#CCN(CC)C(=O)C(C)(C)[N-]C(=O)C(F)(F)F	ZINC000276956332	353213079	/nfs/dbraw/zinc/21/30/79/353213079.db2.gz	CHSRKVCVPRLBAZ-UHFFFAOYSA-N	-1	0	264.247	0.925	20	30		CCEDRM
C[C@H]1CCCN(C(=O)C(=O)Nc2nc(C#N)c(C#N)[n-]2)C1	ZINC000282839958	353455862	/nfs/dbraw/zinc/45/58/62/353455862.db2.gz	KPBICUNLIUDYKZ-QMMMGPOBSA-N	-1	0	286.295	0.350	20	30		CCEDRM
N#Cc1ccc(S(=O)(=O)N[C@H](CC(F)F)C(=O)[O-])o1	ZINC000287133349	353628432	/nfs/dbraw/zinc/62/84/32/353628432.db2.gz	HAEHMSVPNPXDBZ-ZCFIWIBFSA-N	-1	0	294.235	0.538	20	30		CCEDRM
N#Cc1ccc(S(=O)(=O)NCCCCC(=O)[O-])o1	ZINC000287353808	353641175	/nfs/dbraw/zinc/64/11/75/353641175.db2.gz	XREZKECOAMEXOF-UHFFFAOYSA-N	-1	0	272.282	0.684	20	30		CCEDRM
C[C@@H](NS(=O)(=O)c1ccc(C#N)o1)C(=O)NC(C)(C)C	ZINC000286715655	353605388	/nfs/dbraw/zinc/60/53/88/353605388.db2.gz	SALRMAGCMACKSW-MRVPVSSYSA-N	-1	0	299.352	0.733	20	30		CCEDRM
C[C@]1(NC(=O)c2cccn3c([O-])nnc23)CCOC1	ZINC000329338267	354255730	/nfs/dbraw/zinc/25/57/30/354255730.db2.gz	MZXMOSJQASOMEC-LBPRGKRZSA-N	-1	0	262.269	0.919	20	30		CCEDRM
N#Cc1cccc(-c2cc(C(=O)NCc3nnn[n-]3)on2)c1	ZINC000619113259	366196676	/nfs/dbraw/zinc/19/66/76/366196676.db2.gz	ODCMIBCVXTXNSP-UHFFFAOYSA-N	-1	0	295.262	0.656	20	30		CCEDRM
Cc1cc([N-]S(=O)(=O)c2cncc(C#N)c2)nn1C	ZINC000336818224	355192155	/nfs/dbraw/zinc/19/21/55/355192155.db2.gz	UPSJIGNLFHKTFN-UHFFFAOYSA-N	-1	0	277.309	0.796	20	30		CCEDRM
C=CCCO[C@@H](C)C(=O)Nc1n[n-]c(S(C)(=O)=O)n1	ZINC000338111465	355309379	/nfs/dbraw/zinc/30/93/79/355309379.db2.gz	ICWQXOYPNXSFBL-ZETCQYMHSA-N	-1	0	288.329	0.128	20	30		CCEDRM
Cc1ncc(S(=O)(=O)[N-]c2cn(C)nn2)cc1C#N	ZINC000427298695	235359343	/nfs/dbraw/zinc/35/93/43/235359343.db2.gz	FROADZAGCUINOI-UHFFFAOYSA-N	-1	0	278.297	0.191	20	30		CCEDRM
N#Cc1ccc(CCC(=O)NC2(c3nnn[n-]3)CC2)cc1	ZINC000348272357	355900749	/nfs/dbraw/zinc/90/07/49/355900749.db2.gz	CDILMQZTCZQDGJ-UHFFFAOYSA-N	-1	0	282.307	0.809	20	30		CCEDRM
N#Cc1nc(NC(=O)[C@@H]2CCC[C@@H](C(N)=O)C2)[n-]c1C#N	ZINC000348728451	355965744	/nfs/dbraw/zinc/96/57/44/355965744.db2.gz	LAVCFPXQVAMUER-HTQZYQBOSA-N	-1	0	286.295	0.383	20	30		CCEDRM
CC(C)(NC(=O)c1sccc1C#N)c1nnn[n-]1	ZINC000354804118	356502264	/nfs/dbraw/zinc/50/22/64/356502264.db2.gz	OPOQYEOVGKPWCO-UHFFFAOYSA-N	-1	0	262.298	0.798	20	30		CCEDRM
C=C[C@](C)(CCOC)C(=O)N=c1ccc(C(=O)OC)n[n-]1	ZINC000619604336	366296440	/nfs/dbraw/zinc/29/64/40/366296440.db2.gz	IRLZMACBMFZTOJ-CQSZACIVSA-N	-1	0	293.323	0.852	20	30		CCEDRM
Cc1[n-][nH]c(=NC(=O)[C@@H]2OC[C@@H]3COCC[C@H]23)c1C#N	ZINC000356165115	356714996	/nfs/dbraw/zinc/71/49/96/356714996.db2.gz	MMVSXSDXFDULSC-ATZCPNFKSA-N	-1	0	276.296	0.002	20	30		CCEDRM
CCOC1CCN(C(=O)N=c2[n-]n(C)cc2C#N)CC1	ZINC000610528069	363572697	/nfs/dbraw/zinc/57/26/97/363572697.db2.gz	LDWDDAANZNKUHH-UHFFFAOYSA-N	-1	0	277.328	0.746	20	30		CCEDRM
C[C@@H](NC(=O)N=c1[n-]n(C)cc1C#N)c1cccnc1	ZINC000610561423	363577002	/nfs/dbraw/zinc/57/70/02/363577002.db2.gz	VQZSLHBOLHMADL-SECBINFHSA-N	-1	0	270.296	0.991	20	30		CCEDRM
C[C@H](O)CC(C)(C)CNC(=O)N=c1[n-]n(C)cc1C#N	ZINC000610565422	363579793	/nfs/dbraw/zinc/57/97/93/363579793.db2.gz	VPLLIKLQDPYTQI-VIFPVBQESA-N	-1	0	279.344	0.632	20	30		CCEDRM
Cn1cc(C#N)c(=NC(=O)NCCCC(C)(C)CO)[n-]1	ZINC000610569875	363580261	/nfs/dbraw/zinc/58/02/61/363580261.db2.gz	FINCZSJOZDXYEK-UHFFFAOYSA-N	-1	0	279.344	0.634	20	30		CCEDRM
Cc1[n-][nH]c(=NC(=O)[C@H]2Cc3ccccc3C(=O)O2)c1C#N	ZINC000377600210	357593608	/nfs/dbraw/zinc/59/36/08/357593608.db2.gz	IXFYRSJFCOIYLD-GFCCVEGCSA-N	-1	0	296.286	0.732	20	30		CCEDRM
CSc1[n-]c(=O)c(C(=O)N2CC(C)(O)C2)cc1C#N	ZINC000407983894	357850345	/nfs/dbraw/zinc/85/03/45/357850345.db2.gz	GCOHZOOCQOGPHW-UHFFFAOYSA-N	-1	0	279.321	0.588	20	30		CCEDRM
CCn1cc(S(=O)(=O)[N-]c2ccc(C#N)c(C)n2)cn1	ZINC000451094561	236135187	/nfs/dbraw/zinc/13/51/87/236135187.db2.gz	YYYUWGBJNZKXNH-UHFFFAOYSA-N	-1	0	291.336	0.701	20	30		CCEDRM
CC#CC[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)[O-]	ZINC000543791336	358549035	/nfs/dbraw/zinc/54/90/35/358549035.db2.gz	VQNPLSQGGHKRQN-LBPRGKRZSA-N	-1	0	292.316	0.703	20	30		CCEDRM
C=CCOCCCC(=O)N1CCC[C@H]1c1nc(=N)n(C)[nH]1	ZINC000555535871	358552931	/nfs/dbraw/zinc/55/29/31/358552931.db2.gz	ZNBQXNPLNGSVBK-NSHDSACASA-N	-1	0	293.371	0.874	20	30		CCEDRM
C[C@H](C#N)CN(C)S(=O)(=O)NCC1(C(=O)[O-])CCC1	ZINC000563227688	358557258	/nfs/dbraw/zinc/55/72/58/358557258.db2.gz	YQBOAXJWSLWMQH-SECBINFHSA-N	-1	0	289.357	0.167	20	30		CCEDRM
CO[C@H](CS(=O)(=O)[N-]c1nn(C)cc1C#N)C1CC1	ZINC000569122127	358736706	/nfs/dbraw/zinc/73/67/06/358736706.db2.gz	KLMNPZAPHPIWDU-SNVBAGLBSA-N	-1	0	284.341	0.458	20	30		CCEDRM
N#Cc1ccc(C2(C(=O)NCCc3nc(=O)o[n-]3)CC2)cc1	ZINC000562942757	291174144	/nfs/dbraw/zinc/17/41/44/291174144.db2.gz	WVTIDOOYKKTNCD-UHFFFAOYSA-N	-1	0	298.302	0.625	20	30		CCEDRM
CS[C@@H](C)CNC(=O)N=c1[n-]n(C)cc1C#N	ZINC000611049978	363653299	/nfs/dbraw/zinc/65/32/99/363653299.db2.gz	NHVIZCTWMCEPPF-ZETCQYMHSA-N	-1	0	253.331	0.587	20	30		CCEDRM
C[C@H](O)C[C@H]1CCCN1C(=O)N=c1[n-]n(C)cc1C#N	ZINC000611050229	363653659	/nfs/dbraw/zinc/65/36/59/363653659.db2.gz	QINUCSKBBVVHSV-GXSJLCMTSA-N	-1	0	277.328	0.481	20	30		CCEDRM
CCO[C@@H]1C[C@H]1C(=O)N=c1[nH][n-]c(C2CC2)c1C#N	ZINC000588767371	359336061	/nfs/dbraw/zinc/33/60/61/359336061.db2.gz	YRBUAGGBKLZKFD-PSASIEDQSA-N	-1	0	260.297	0.944	20	30		CCEDRM
N#Cc1cccc(/C=C\C(=O)NCCc2n[n-]c(=N)o2)c1	ZINC000491974274	237040625	/nfs/dbraw/zinc/04/06/25/237040625.db2.gz	UTQOAPYCKTUHMU-PLNGDYQASA-N	-1	0	283.291	0.726	20	30		CCEDRM
CN(C(=O)N=c1[n-]n(C)cc1C#N)[C@H]1CCSC1	ZINC000611127468	363662469	/nfs/dbraw/zinc/66/24/69/363662469.db2.gz	MVACWKDJPVBJCX-VIFPVBQESA-N	-1	0	265.342	0.683	20	30		CCEDRM
C=CC[C@H](NS(=O)(=O)c1ccnn1CC)C(=O)[O-]	ZINC000274869680	192818033	/nfs/dbraw/zinc/81/80/33/192818033.db2.gz	AHVIWBLUYJYJKN-QMMMGPOBSA-N	-1	0	273.314	0.211	20	30		CCEDRM
C=CCOCC(=O)N[C@H](c1nnn[n-]1)c1ccccc1	ZINC000591442157	359593548	/nfs/dbraw/zinc/59/35/48/359593548.db2.gz	ZJVMMSMLGOLZRB-LBPRGKRZSA-N	-1	0	273.296	0.608	20	30		CCEDRM
CCO[C@H](CC)C(=O)N=c1[n-]n(C)c(C)c1C#N	ZINC000592646451	359908128	/nfs/dbraw/zinc/90/81/28/359908128.db2.gz	ORDPOSDZFYJRIQ-SNVBAGLBSA-N	-1	0	250.302	0.776	20	30		CCEDRM
Cc1c(C#N)c(=NC(=O)c2cn(CC3CC3)nn2)[n-]n1C	ZINC000592648137	359908199	/nfs/dbraw/zinc/90/81/99/359908199.db2.gz	BCBPXSSXPZCTHQ-UHFFFAOYSA-N	-1	0	285.311	0.276	20	30		CCEDRM
Cc1c(C#N)c(=NC(=O)[C@@H]2O[C@@H](C)C[C@H]2C)[n-]n1C	ZINC000592649247	359908867	/nfs/dbraw/zinc/90/88/67/359908867.db2.gz	LYVIPVOUWSDFSK-VHSKPIJISA-N	-1	0	262.313	0.774	20	30		CCEDRM
Cc1c(C#N)c(=NC(=O)[C@H]2C[C@@]23CCOC3)[n-]n1C	ZINC000592653121	359908959	/nfs/dbraw/zinc/90/89/59/359908959.db2.gz	KRBPZHQYYNEJEG-ZWNOBZJWSA-N	-1	0	260.297	0.387	20	30		CCEDRM
C[C@H]1CC(NC(=O)N=c2[n-]n(C)cc2C#N)C[C@H](C)O1	ZINC000611245806	363697025	/nfs/dbraw/zinc/69/70/25/363697025.db2.gz	VSWFAWONPLNEDQ-IUCAKERBSA-N	-1	0	277.328	0.791	20	30		CCEDRM
N#CC[C@]1(O)CCN(C(=O)c2cc([O-])ccc2[N+](=O)[O-])C1	ZINC000592850070	359954044	/nfs/dbraw/zinc/95/40/44/359954044.db2.gz	PMIYLIJXTFICPX-ZDUSSCGKSA-N	-1	0	291.263	0.791	20	30		CCEDRM
C[C@@H](C#N)CN(C)S(=O)(=O)N1[C@@H](C)CC[C@H]1C(=O)[O-]	ZINC000593222638	360052526	/nfs/dbraw/zinc/05/25/26/360052526.db2.gz	QOIFDZBUISROCG-GUBZILKMSA-N	-1	0	289.357	0.260	20	30		CCEDRM
N#Cc1sccc1S(=O)(=O)N[C@@H]1C=C[C@H](C(=O)[O-])C1	ZINC000593258947	360057663	/nfs/dbraw/zinc/05/76/63/360057663.db2.gz	QRCRLUGXKRZLKB-JGVFFNPUSA-N	-1	0	298.345	0.927	20	30		CCEDRM
C[C@H](C(=O)[O-])C1(NS(=O)(=O)c2cncc(C#N)c2)CC1	ZINC000593273087	360059440	/nfs/dbraw/zinc/05/94/40/360059440.db2.gz	GASCRFFJADOANZ-MRVPVSSYSA-N	-1	0	295.320	0.485	20	30		CCEDRM
N#Cc1ccc(S(=O)(=O)N[C@H](CCF)C(=O)[O-])cc1	ZINC000594573589	360332941	/nfs/dbraw/zinc/33/29/41/360332941.db2.gz	NYWSZCRKMJPBMI-SNVBAGLBSA-N	-1	0	286.284	0.649	20	30		CCEDRM
N#Cc1sccc1S(=O)(=O)N[C@H](CCF)C(=O)[O-]	ZINC000594572804	360333022	/nfs/dbraw/zinc/33/30/22/360333022.db2.gz	CLEKAKXPSFLBKA-ZCFIWIBFSA-N	-1	0	292.313	0.711	20	30		CCEDRM
C[C@@H](CNc1nc2c(cc1C#N)COCC2)C(=O)[O-]	ZINC000594540849	360327172	/nfs/dbraw/zinc/32/71/72/360327172.db2.gz	JNMOLTUKSDUAAI-QMMMGPOBSA-N	-1	0	261.281	0.580	20	30		CCEDRM
C=CCCSCCNC(=O)C(=O)N(C)CCC(=O)[O-]	ZINC000595276114	360474583	/nfs/dbraw/zinc/47/45/83/360474583.db2.gz	MQMAMQWGGNMGHY-UHFFFAOYSA-N	-1	0	288.369	0.345	20	30		CCEDRM
N#CC1(CS(=O)(=O)NC[C@H](C(=O)[O-])C2CCC2)CC1	ZINC000596025830	360777657	/nfs/dbraw/zinc/77/76/57/360777657.db2.gz	BLGIHGJGVMKHKS-JTQLQIEISA-N	-1	0	286.353	0.710	20	30		CCEDRM
N#Cc1ccc(S(=O)(=O)N2CC3(CCC3)[C@@H]2C(=O)[O-])o1	ZINC000596035789	360779785	/nfs/dbraw/zinc/77/97/85/360779785.db2.gz	WOYVXKNKRFOERX-JTQLQIEISA-N	-1	0	296.304	0.779	20	30		CCEDRM
C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1F)C(=O)[O-]	ZINC000563673905	291246279	/nfs/dbraw/zinc/24/62/79/291246279.db2.gz	UUHLDZAUQRHQHH-ZCFIWIBFSA-N	-1	0	272.257	0.449	20	30		CCEDRM
N#Cc1c(C2CC2)[n-][nH]c1=NC(=O)[C@H]1[C@@H]2COC[C@@H]21	ZINC000598735115	361501093	/nfs/dbraw/zinc/50/10/93/361501093.db2.gz	OSRSJLLMECJZOY-MYJAWHEDSA-N	-1	0	258.281	0.412	20	30		CCEDRM
CO[C@@H](C(=O)N=c1[nH][n-]c(C2CC2)c1C#N)[C@@H]1CCOC1	ZINC000598733795	361501183	/nfs/dbraw/zinc/50/11/83/361501183.db2.gz	FIOZFLCQDYUTLI-BXKDBHETSA-N	-1	0	290.323	0.571	20	30		CCEDRM
C[C@H](NS(=O)(=O)c1cccc([N+](=O)[O-])c1C#N)C(=O)[O-]	ZINC000340449634	299330579	/nfs/dbraw/zinc/33/05/79/299330579.db2.gz	NXZAXYWJESWJCT-LURJTMIESA-N	-1	0	299.264	0.218	20	30		CCEDRM
C=C(C)C[N-]S(=O)(=O)c1nn(C)cc1[N+](=O)[O-]	ZINC000599282936	361631130	/nfs/dbraw/zinc/63/11/30/361631130.db2.gz	WLNLBYUECSPDQC-UHFFFAOYSA-N	-1	0	260.275	0.183	20	30		CCEDRM
N#Cc1ccc(S(=O)(=O)N2C[C@H]3C[C@@]3(C(=O)[O-])C2)s1	ZINC000564554186	291284195	/nfs/dbraw/zinc/28/41/95/291284195.db2.gz	KHVJWFUDFHNBGL-RDDDGLTNSA-N	-1	0	298.345	0.715	20	30		CCEDRM
C=CCOc1ccc(C(=O)NCc2nnn[n-]2)cc1OC	ZINC000599344400	361662790	/nfs/dbraw/zinc/66/27/90/361662790.db2.gz	HGTNLBKGYBFMJS-UHFFFAOYSA-N	-1	0	289.295	0.703	20	30		CCEDRM
N#Cc1cccc(S(=O)(=O)[N-]c2n[nH]cc2C(N)=O)c1	ZINC000613072694	364102443	/nfs/dbraw/zinc/10/24/43/364102443.db2.gz	QNHKDCOYLSPSNV-UHFFFAOYSA-N	-1	0	291.292	0.181	20	30		CCEDRM
C=CC[C@H](CO)NC(=O)c1ccc2oc(=O)nc-2[n-]1	ZINC000613486853	364265716	/nfs/dbraw/zinc/26/57/16/364265716.db2.gz	TXSSZUUXSFEHFJ-SSDOTTSWSA-N	-1	0	263.253	0.595	20	30		CCEDRM
CCO[C@@H]1C[C@@H](NC(=O)N=c2[n-]n(C)cc2C#N)[C@H]1OC	ZINC000614325635	364571050	/nfs/dbraw/zinc/57/10/50/364571050.db2.gz	AIEQGTSFYDIXTD-GMTAPVOTSA-N	-1	0	293.327	0.028	20	30		CCEDRM
Cn1cc(C#N)c(=NC(=O)NCCOC(F)(F)F)[n-]1	ZINC000616096162	365176649	/nfs/dbraw/zinc/17/66/49/365176649.db2.gz	KMRKQTMPLKEYJX-UHFFFAOYSA-N	-1	0	277.206	0.372	20	30		CCEDRM
C=CC[C@H]1CCN(C(=O)C(=O)NC[C@@H](C(=O)[O-])C(C)C)C1	ZINC000627279402	368942618	/nfs/dbraw/zinc/94/26/18/368942618.db2.gz	MKJZKGYNIAPXIV-NWDGAFQWSA-N	-1	0	296.367	0.884	20	30		CCEDRM
C=CC(C)(C)CCNC(=O)C(=O)N=c1nc(C)n(C)[n-]1	ZINC000627686003	369076599	/nfs/dbraw/zinc/07/65/99/369076599.db2.gz	PUQKJHQIADYQDD-UHFFFAOYSA-N	-1	0	279.344	0.202	20	30		CCEDRM
CO[N-]C(=O)C(=O)Nc1cc(C#N)ccc1OC(C)C	ZINC000276099382	193214159	/nfs/dbraw/zinc/21/41/59/193214159.db2.gz	ISBWFXOSBSJYNT-UHFFFAOYSA-N	-1	0	277.280	0.962	20	30		CCEDRM
C=CCN(C(=O)C(=O)N1CC[C@H](C(=O)[O-])[C@@H](C)C1)C1CC1	ZINC000629776959	369773612	/nfs/dbraw/zinc/77/36/12/369773612.db2.gz	ZPLUORXAOAIWEA-JQWIXIFHSA-N	-1	0	294.351	0.733	20	30		CCEDRM
C=CCOC[C@@H](NC(=O)COCC(F)F)C(=O)[O-]	ZINC000630186209	369996206	/nfs/dbraw/zinc/99/62/06/369996206.db2.gz	LPUALJXGICOTOY-SSDOTTSWSA-N	-1	0	267.228	0.040	20	30		CCEDRM
C=CCOC[C@H](NC(=O)CCc1ccncn1)C(=O)[O-]	ZINC000630186382	369996353	/nfs/dbraw/zinc/99/63/53/369996353.db2.gz	PXAMCAFXOHUUNT-NSHDSACASA-N	-1	0	279.296	0.181	20	30		CCEDRM
C=C(C)C[C@H](NC(=O)[C@@H](OC)[C@H]1CCOC1)C(=O)[O-]	ZINC000630321100	370046866	/nfs/dbraw/zinc/04/68/66/370046866.db2.gz	FLDCOUQBVAZINM-DCAQKATOSA-N	-1	0	271.313	0.574	20	30		CCEDRM
C=C(C)C[C@H](NC(=O)c1nnn(C(C)(C)C)n1)C(=O)[O-]	ZINC000630320751	370046996	/nfs/dbraw/zinc/04/69/96/370046996.db2.gz	BJKWMPKYVLTJMF-QMMMGPOBSA-N	-1	0	281.316	0.577	20	30		CCEDRM
C=C(C)C[C@@H](NC(=O)Cn1ccccc1=O)C(=O)[O-]	ZINC000630321418	370047001	/nfs/dbraw/zinc/04/70/01/370047001.db2.gz	ITJSGRTTWQTFOB-SNVBAGLBSA-N	-1	0	264.281	0.384	20	30		CCEDRM
C=CCCOCCNC(=O)Cn1cc(C(=O)[O-])cn1	ZINC000630169632	369984130	/nfs/dbraw/zinc/98/41/30/369984130.db2.gz	DDVKBZOHSKRQJL-UHFFFAOYSA-N	-1	0	267.285	0.290	20	30		CCEDRM
C=C(C)C[C@H](NC(=O)NC1CCOCC1)C(=O)[O-]	ZINC000630470023	370128895	/nfs/dbraw/zinc/12/88/95/370128895.db2.gz	FWHKCTWBQZSLGC-JTQLQIEISA-N	-1	0	256.302	0.884	20	30		CCEDRM
O=S(=O)([N-]CC#CCO)c1onc(C2CC2)c1Cl	ZINC000632515621	371116864	/nfs/dbraw/zinc/11/68/64/371116864.db2.gz	HLOMEKZADHOXKY-UHFFFAOYSA-N	-1	0	290.728	0.479	20	30		CCEDRM
C=CCN(C(=O)C[C@@]1(C(=O)[O-])CCOC1)[C@@H](C)COC	ZINC000634929709	372300292	/nfs/dbraw/zinc/30/02/92/372300292.db2.gz	QQQWEABMUQOWFQ-FZMZJTMJSA-N	-1	0	285.340	0.917	20	30		CCEDRM
CCCCCNC(=O)[C@H](C#N)C(=O)CN(C)C(=O)[O-]	ZINC000739332277	581112228	/nfs/dbraw/zinc/11/22/28/581112228.db2.gz	SWDPNISABKPTFC-SECBINFHSA-N	-1	0	269.301	0.611	20	30		CCEDRM
C=CCN(C(=O)N=c1ccc(C(=O)NC)n[n-]1)C1CC1	ZINC000640325836	376320419	/nfs/dbraw/zinc/32/04/19/376320419.db2.gz	JVVKOPKGFGBVOE-UHFFFAOYSA-N	-1	0	275.312	0.440	20	30		CCEDRM
C=C(C)[C@@H](CC(=O)N(C)Cc1nc(=O)o[n-]1)OCC	ZINC000640463945	376382520	/nfs/dbraw/zinc/38/25/20/376382520.db2.gz	DYUKIPDLIJMJRQ-SECBINFHSA-N	-1	0	269.301	0.693	20	30		CCEDRM
C[C@@H](CNS(=O)(=O)c1ccc(C#N)o1)C(=O)[O-]	ZINC000514881923	249111048	/nfs/dbraw/zinc/11/10/48/249111048.db2.gz	UYSLMYPZZPMRMY-LURJTMIESA-N	-1	0	258.255	0.150	20	30		CCEDRM
C=CCn1c(S[C@H]2CCN(CC)C2=O)n[nH]c1=O	ZINC000657251753	412942844	/nfs/dbraw/zinc/94/28/44/412942844.db2.gz	LKFZYDKICQJUKM-QMMMGPOBSA-N	-1	0	268.342	0.883	20	30		CCEDRM
CC[C@@H](CS(=O)(=O)[N-]c1n[nH]cc1C#N)OC	ZINC000572025614	291853302	/nfs/dbraw/zinc/85/33/02/291853302.db2.gz	SIWNPWUKEUTAMD-QMMMGPOBSA-N	-1	0	258.303	0.448	20	30		CCEDRM
COC(=O)C[C@@H](C)CC(=O)Nc1nc(C#N)c(C#N)[n-]1	ZINC000289367278	197315289	/nfs/dbraw/zinc/31/52/89/197315289.db2.gz	ZIUAZQDXGNFXLE-ZETCQYMHSA-N	-1	0	275.268	0.681	20	30		CCEDRM
CCOC(=O)c1cc(=NC(=O)[C@@]2(C#N)C[C@@H]2C)[nH][n-]1	ZINC000574841653	335051907	/nfs/dbraw/zinc/05/19/07/335051907.db2.gz	RNRXIFCLULYCHJ-JVXZTZIISA-N	-1	0	262.269	0.497	20	30		CCEDRM
C=C(C)CN(CC)C(=O)C(=O)NCCCC(=O)[O-]	ZINC000574878528	335054864	/nfs/dbraw/zinc/05/48/64/335054864.db2.gz	UXTFLORATCEZSS-UHFFFAOYSA-N	-1	0	256.302	0.392	20	30		CCEDRM
Cn1nnc2ccc(C(=O)Nc3nc(C#N)c(C#N)[n-]3)cc21	ZINC000183449844	388755143	/nfs/dbraw/zinc/75/51/43/388755143.db2.gz	CCSKHGRIFGDVLT-UHFFFAOYSA-N	-1	0	292.262	0.687	20	30		CCEDRM
N#Cc1ccc(CS(=O)(=O)N2CCC[C@H]2C(=O)[O-])cc1	ZINC000021514024	388795898	/nfs/dbraw/zinc/79/58/98/388795898.db2.gz	ZZLUDQGZQWCYNM-LBPRGKRZSA-N	-1	0	294.332	0.937	20	30		CCEDRM
N#Cc1ccc(S(=O)(=O)NCCCC(=O)[O-])cc1	ZINC000021063012	388796191	/nfs/dbraw/zinc/79/61/91/388796191.db2.gz	VEKLBMRQQNAKHX-UHFFFAOYSA-N	-1	0	268.294	0.701	20	30		CCEDRM
C[C@@H]1CCCN1S(=O)(=O)[N-]c1nn(C)cc1C#N	ZINC000185268409	388797142	/nfs/dbraw/zinc/79/71/42/388797142.db2.gz	OSZXYJWADVSWII-MRVPVSSYSA-N	-1	0	269.330	0.433	20	30		CCEDRM
C#C[C@@H](C)NC(=O)Nc1ccc(F)c(S(=O)(=O)NC)c1	ZINC000287023696	388847736	/nfs/dbraw/zinc/84/77/36/388847736.db2.gz	GONYBQDYRSQDEO-MRVPVSSYSA-N	-1	0	299.327	0.877	20	30		CCEDRM
C#CCO[N-]C(=O)[C@H](c1cccc(F)c1)N1CCOCC1	ZINC000291049084	388916579	/nfs/dbraw/zinc/91/65/79/388916579.db2.gz	IAFHGQQJCCCHMV-AWEZNQCLSA-N	-1	0	292.310	0.880	20	30		CCEDRM
Cc1nc(NC(=O)c2ccc(C#N)c([O-])c2)n(C)n1	ZINC000188796315	388941151	/nfs/dbraw/zinc/94/11/51/388941151.db2.gz	ZTILWYVPCWSXIP-UHFFFAOYSA-N	-1	0	257.253	0.953	20	30		CCEDRM
Cc1[n-][nH]c(=NC(=O)[C@@H]2CCC(=O)[C@@H](C)C2)c1C#N	ZINC000357262438	389132322	/nfs/dbraw/zinc/13/23/22/389132322.db2.gz	SDIQNBTYJXMRIN-IONNQARKSA-N	-1	0	260.297	0.956	20	30		CCEDRM
C=C[C@H](CO)NC(=O)NCc1nc(C(F)(F)F)n[nH]1	ZINC000359142590	389167331	/nfs/dbraw/zinc/16/73/31/389167331.db2.gz	JRBBBONPMOJASK-RXMQYKEDSA-N	-1	0	279.222	0.170	20	30		CCEDRM
Cc1c([N-]S(=O)(=O)c2ccc(C#N)o2)cnn1C	ZINC000340989124	389176082	/nfs/dbraw/zinc/17/60/82/389176082.db2.gz	YEKKZRZARMJWNE-UHFFFAOYSA-N	-1	0	266.282	0.994	20	30		CCEDRM
CN(C)CC[N-]S(=O)(=O)c1c(F)cc(C#N)cc1F	ZINC000136436847	389266710	/nfs/dbraw/zinc/26/67/10/389266710.db2.gz	HFWINMRFFXOELS-UHFFFAOYSA-N	-1	0	289.307	0.676	20	30		CCEDRM
C=CCCCC(=O)N(CCNC(C)=O)[C@H](C)C(=O)[O-]	ZINC000262269441	389283784	/nfs/dbraw/zinc/28/37/84/389283784.db2.gz	UMGPXZVWOOBLRD-SNVBAGLBSA-N	-1	0	270.329	0.781	20	30		CCEDRM
C=C(C)C(C)(C)C(=O)[N-]S(=O)(=O)[C@H]1CCOC1	ZINC000408497045	389369732	/nfs/dbraw/zinc/36/97/32/389369732.db2.gz	IGNFWUHDXGBVDT-VIFPVBQESA-N	-1	0	261.343	0.824	20	30		CCEDRM
C[C@H]1CCC[C@@](C#N)(NC(=O)c2cnc([O-])n(C)c2=O)C1	ZINC000267677145	389373832	/nfs/dbraw/zinc/37/38/32/389373832.db2.gz	LEUHZYMNUNVTCX-LKFCYVNXSA-N	-1	0	290.323	0.688	20	30		CCEDRM
CC[C@H](CS(=O)(=O)[N-]c1ccc(C#N)c(C)n1)OC	ZINC000421251830	389356384	/nfs/dbraw/zinc/35/63/84/389356384.db2.gz	RANOKWXULGFNJU-LLVKDONJSA-N	-1	0	283.353	0.850	20	30		CCEDRM
C=C[C@@H](CO)NC(=O)N=c1[n-]nc(-c2ccco2)s1	ZINC000350005121	389476270	/nfs/dbraw/zinc/47/62/70/389476270.db2.gz	DPPGHQHAGJHKKL-ZETCQYMHSA-N	-1	0	280.309	0.888	20	30		CCEDRM
N#CCCn1ccc([N-]S(=O)(=O)C[C@H]2CCCO2)n1	ZINC000172370095	389488107	/nfs/dbraw/zinc/48/81/07/389488107.db2.gz	SVPVNSVRFJYMGM-SNVBAGLBSA-N	-1	0	284.341	0.717	20	30		CCEDRM
Cn1nccc1[N-]S(=O)(=O)c1ccc(C#N)nc1	ZINC000165823546	389440086	/nfs/dbraw/zinc/44/00/86/389440086.db2.gz	OEWWMJGMNNAYDQ-UHFFFAOYSA-N	-1	0	263.282	0.488	20	30		CCEDRM
N#C[C@H]1COCCN1C(=O)c1ccc2n[nH]nc2c1	ZINC000175884706	389547981	/nfs/dbraw/zinc/54/79/81/389547981.db2.gz	WFUVOZYOBCZOMA-VIFPVBQESA-N	-1	0	257.253	0.322	20	30		CCEDRM
C=CC[C@H](CO)NC(=O)N=c1ncn(C(C)(C)C)[n-]1	ZINC000351255922	389571015	/nfs/dbraw/zinc/57/10/15/389571015.db2.gz	UTOGQYNKQHRENH-SECBINFHSA-N	-1	0	267.333	0.514	20	30		CCEDRM
C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)[C@H]1CC[C@@H](C(=O)[O-])O1	ZINC000281499928	389617683	/nfs/dbraw/zinc/61/76/83/389617683.db2.gz	FMEKXQWLZYMZCW-WYUUTHIRSA-N	-1	0	283.324	0.716	20	30		CCEDRM
C=CCCn1cc(C(=O)N2CC[C@H](C(=O)[O-])[C@H]2C)nn1	ZINC000425248964	389642915	/nfs/dbraw/zinc/64/29/15/389642915.db2.gz	CUZMIYQDOAUPIE-ZJUUUORDSA-N	-1	0	278.312	0.789	20	30		CCEDRM
C=CCCO[C@H](C)C(=O)N(C)C[C@@H](C)c1nnn[n-]1	ZINC000352472553	389816168	/nfs/dbraw/zinc/81/61/68/389816168.db2.gz	GVMWIVUIQXMPEN-NXEZZACHSA-N	-1	0	267.333	0.743	20	30		CCEDRM
CN=c1[n-]nc(CC(=O)NCc2ccc(C#N)cc2)s1	ZINC000352472966	389816867	/nfs/dbraw/zinc/81/68/67/389816867.db2.gz	MRHKSJPRLMCTIF-UHFFFAOYSA-N	-1	0	287.348	0.732	20	30		CCEDRM
CCn1cnc(S(=O)(=O)[N-]c2ncccc2C#N)c1	ZINC000443149404	389874563	/nfs/dbraw/zinc/87/45/63/389874563.db2.gz	WTEIJWOKJHZDSA-UHFFFAOYSA-N	-1	0	277.309	0.970	20	30		CCEDRM
CN(CC1CC1)S(=O)(=O)[N-]c1nn(C)cc1C#N	ZINC000447401382	389954069	/nfs/dbraw/zinc/95/40/69/389954069.db2.gz	XZBNWMUPYWNPCY-UHFFFAOYSA-N	-1	0	269.330	0.290	20	30		CCEDRM
C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)C(=O)NCCCC(=O)[O-]	ZINC000420578369	390013824	/nfs/dbraw/zinc/01/38/24/390013824.db2.gz	HOBTVUDWSBOUAS-PWSUYJOCSA-N	-1	0	298.339	0.065	20	30		CCEDRM
C=C(CC)CNC(=O)C(=O)N1CC[C@H](C(=O)[O-])C1	ZINC000420583169	390014303	/nfs/dbraw/zinc/01/43/03/390014303.db2.gz	NARVVFGXIHLPDW-VIFPVBQESA-N	-1	0	254.286	0.002	20	30		CCEDRM
C=C[C@@H](CCC(=O)[O-])NS(=O)(=O)C[C@H]1CCCO1	ZINC000579562014	390184263	/nfs/dbraw/zinc/18/42/63/390184263.db2.gz	WSCHFZFXLRUOBD-VHSXEESVSA-N	-1	0	277.342	0.504	20	30		CCEDRM
C#CCCS(=O)(=O)[N-]C(=O)/C=C/c1cncc(C)c1	ZINC000493612380	390127457	/nfs/dbraw/zinc/12/74/57/390127457.db2.gz	AOELWZBACDAPTJ-AATRIKPKSA-N	-1	0	278.333	0.873	20	30		CCEDRM
C=C(C)CS(=O)(=O)N[C@H](C(=O)[O-])[C@H](O)CCC	ZINC000578993236	390131951	/nfs/dbraw/zinc/13/19/51/390131951.db2.gz	UHIQSFUQKYKQNK-BDAKNGLRSA-N	-1	0	265.331	0.096	20	30		CCEDRM
C=CCn1cc(C(=O)NC(C)(C)CCC(=O)[O-])nn1	ZINC000647727373	390147571	/nfs/dbraw/zinc/14/75/71/390147571.db2.gz	BKWQTWJTRWATBG-UHFFFAOYSA-N	-1	0	266.301	0.837	20	30		CCEDRM
C=CCCCS(=O)(=O)N[C@H](C[C@H]1CCOC1)C(=O)[O-]	ZINC000644629112	390269753	/nfs/dbraw/zinc/26/97/53/390269753.db2.gz	DDRDQMSESRXZJZ-GHMZBOCLSA-N	-1	0	291.369	0.752	20	30		CCEDRM
N#CC1(CNC(=O)c2c[nH]c3nc(=O)[n-]c(=O)c-3c2)CC1	ZINC000583671883	390304429	/nfs/dbraw/zinc/30/44/29/390304429.db2.gz	AGWAFFYTMHQOKH-UHFFFAOYSA-N	-1	0	285.263	0.470	20	30		CCEDRM
C=C[C@@H](CCC(=O)[O-])NS(=O)(=O)c1c[nH]nc1C	ZINC000514917681	390471098	/nfs/dbraw/zinc/47/10/98/390471098.db2.gz	NYPCTKUKQGOZNL-QMMMGPOBSA-N	-1	0	273.314	0.416	20	30		CCEDRM
C=CCn1cc(C(=O)N[C@](C)(CCC)C(=O)[O-])nn1	ZINC000649244037	390535248	/nfs/dbraw/zinc/53/52/48/390535248.db2.gz	IIYSNBRYEXTYCJ-GFCCVEGCSA-N	-1	0	266.301	0.837	20	30		CCEDRM
C[C@H](C(=O)N(C)C)S(=O)(=O)[N-]c1cc(CC#N)ccn1	ZINC000520851106	390590735	/nfs/dbraw/zinc/59/07/35/390590735.db2.gz	UVMCBKZKUBOMDE-SECBINFHSA-N	-1	0	296.352	0.366	20	30		CCEDRM
C[C@@H](CNS(=O)(=O)CC1(CC#N)CC1)C(=O)[O-]	ZINC000568635266	390714671	/nfs/dbraw/zinc/71/46/71/390714671.db2.gz	SUZWDGZCKMVGNO-QMMMGPOBSA-N	-1	0	260.315	0.320	20	30		CCEDRM
N#Cc1nc(NC(=O)C[C@H]2CSCC[NH2+]2)[n-]c1C#N	ZINC000571797305	390754033	/nfs/dbraw/zinc/75/40/33/390754033.db2.gz	SRDJKJPQVQCARX-ZETCQYMHSA-N	-1	0	276.325	0.187	20	30		CCEDRM
CCC(C#N)(CC)C(=O)[N-]S(=O)(=O)c1cnccn1	ZINC000528966223	390785945	/nfs/dbraw/zinc/78/59/45/390785945.db2.gz	RZSJVKAWTRBAKU-UHFFFAOYSA-N	-1	0	282.325	0.611	20	30		CCEDRM
CC[C@]1(C(=O)[O-])CCCN1S(=O)(=O)N(C)CCC#N	ZINC000530339635	390876236	/nfs/dbraw/zinc/87/62/36/390876236.db2.gz	USTOTQVSPDHJBM-LLVKDONJSA-N	-1	0	289.357	0.406	20	30		CCEDRM
C=C[C@H](CCC(=O)[O-])NS(=O)(=O)N(C)CCC	ZINC000577822892	390846634	/nfs/dbraw/zinc/84/66/34/390846634.db2.gz	DETMTTLOXUMUKN-SECBINFHSA-N	-1	0	264.347	0.582	20	30		CCEDRM
COc1ccc(=NC(=O)NC[C@@]2(CCO)CCOC2)[n-]n1	ZINC000329073456	533252416	/nfs/dbraw/zinc/25/24/16/533252416.db2.gz	AXHJSNBEWRUADY-CYBMUJFWSA-N	-1	0	296.327	0.022	20	30		CCEDRM
C[C@@H](C(=O)[O-])N(C)S(=O)(=O)c1cncc(C#N)c1	ZINC000261576282	131153425	/nfs/dbraw/zinc/15/34/25/131153425.db2.gz	NPOCKWQPLFICBE-ZETCQYMHSA-N	-1	0	269.282	0.047	20	30		CCEDRM
COc1cc(C#N)ccc1OCC(=O)N[C@@H](C)C(=O)[O-]	ZINC000262492054	131226152	/nfs/dbraw/zinc/22/61/52/131226152.db2.gz	GJBFPVCNIDXYKR-QMMMGPOBSA-N	-1	0	278.264	0.535	20	30		CCEDRM
C=CCCO[C@H](C)C(=O)N1CCO[C@H](CC(=O)[O-])C1	ZINC000262804206	131263331	/nfs/dbraw/zinc/26/33/31/131263331.db2.gz	PNGRQCQVUVGBMC-GHMZBOCLSA-N	-1	0	271.313	0.670	20	30		CCEDRM
C=CCCC(=O)Nc1nnc([N-]S(C)(=O)=O)s1	ZINC000263839903	131343481	/nfs/dbraw/zinc/34/34/81/131343481.db2.gz	SDQSDQTYABLGAZ-UHFFFAOYSA-N	-1	0	276.343	0.814	20	30		CCEDRM
CN(CCCC(=O)N1CCOC[C@@H]1C#N)C(=O)[O-]	ZINC000739665436	581648152	/nfs/dbraw/zinc/64/81/52/581648152.db2.gz	WYQILGGEZVXHIF-VIFPVBQESA-N	-1	0	255.274	0.127	20	30		CCEDRM
C[C@H](Oc1ccccc1C#N)C(=O)NC1(c2nnn[n-]2)CC1	ZINC000357069353	144056175	/nfs/dbraw/zinc/05/61/75/144056175.db2.gz	IQVWPRLQGZPUMK-VIFPVBQESA-N	-1	0	298.306	0.644	20	30		CCEDRM
C[C@@H](CF)NC(=O)C(=O)N=c1[n-]n(C(C)(C)C)cc1C#N	ZINC000358108722	144152759	/nfs/dbraw/zinc/15/27/59/144152759.db2.gz	WQDRTYKWMORXSU-QMMMGPOBSA-N	-1	0	295.318	0.344	20	30		CCEDRM
C=CCOC[C@H](NC(=O)N[C@@H]1C[C@H]2CC[C@@H]1O2)C(=O)[O-]	ZINC000649531519	397628956	/nfs/dbraw/zinc/62/89/56/397628956.db2.gz	JJWXDSZHXYNRGH-ZNSHCXBVSA-N	-1	0	284.312	0.261	20	30		CCEDRM
C=C[C@H](CCC(=O)[O-])NS(=O)(=O)[C@H]1CCO[C@@H]1C	ZINC000650421392	397718090	/nfs/dbraw/zinc/71/80/90/397718090.db2.gz	BAGQMXMJHMQICY-BBBLOLIVSA-N	-1	0	277.342	0.503	20	30		CCEDRM
C=CCN=c1[n-]nc(SC[C@@H]2CCC(=O)N2)s1	ZINC000651176963	397847495	/nfs/dbraw/zinc/84/74/95/397847495.db2.gz	DRBVJUMPARNBAG-ZETCQYMHSA-N	-1	0	270.383	0.929	20	30		CCEDRM
CC#CC[C@H](NS(=O)(=O)Cc1ccccc1)C(=O)[O-]	ZINC000541931954	411830684	/nfs/dbraw/zinc/83/06/84/411830684.db2.gz	HEFPNRMSPOPPBH-LBPRGKRZSA-N	-1	0	281.333	0.973	20	30		CCEDRM
N#CCCNS(=O)(=O)c1cc(C(=O)[O-])ccc1F	ZINC000021948801	171338670	/nfs/dbraw/zinc/33/86/70/171338670.db2.gz	UOCMKBJUAJJQNV-UHFFFAOYSA-N	-1	0	272.257	0.716	20	30		CCEDRM
C=CCn1cc(CNC(=O)[C@@]2(C(=O)[O-])CC=CCC2)nn1	ZINC000653290552	412281731	/nfs/dbraw/zinc/28/17/31/412281731.db2.gz	ZTOYPHFMVCGBMA-CQSZACIVSA-N	-1	0	290.323	0.891	20	30		CCEDRM
C=CCCC(=O)N1CCC(N2C[C@@H](C(=O)[O-])CC2=O)CC1	ZINC000653310538	412286340	/nfs/dbraw/zinc/28/63/40/412286340.db2.gz	AXTYFQVNYQPFSR-NSHDSACASA-N	-1	0	294.351	0.877	20	30		CCEDRM
Cc1oc(NC(=O)CN(C)CC(=O)[O-])c(C#N)c1C	ZINC000035304891	172118394	/nfs/dbraw/zinc/11/83/94/172118394.db2.gz	UKQNDQHHRSPFRC-UHFFFAOYSA-N	-1	0	265.269	0.723	20	30		CCEDRM
C[C@H](Oc1ccc(C#N)cc1)C(=O)NCCC(=O)[O-]	ZINC000037411871	173188580	/nfs/dbraw/zinc/18/85/80/173188580.db2.gz	RLPSUCRZBSPIFH-VIFPVBQESA-N	-1	0	262.265	0.916	20	30		CCEDRM
C=CCOc1ccccc1C(=O)N[C@@H](CO)C(=O)[O-]	ZINC000037451326	173217209	/nfs/dbraw/zinc/21/72/09/173217209.db2.gz	ZDEYAKDEIHOKPF-JTQLQIEISA-N	-1	0	265.265	0.427	20	30		CCEDRM
C=CCN(CC=C)C(=O)CN(C)Cc1n[n-]c(=O)o1	ZINC000660852443	414509441	/nfs/dbraw/zinc/50/94/41/414509441.db2.gz	UPNCMNJCOIPTOU-UHFFFAOYSA-N	-1	0	266.301	0.408	20	30		CCEDRM
C=CCn1cc(CNC(=O)[C@@]2(C(=O)[O-])CC2(C)C)nn1	ZINC000663056301	414966968	/nfs/dbraw/zinc/96/69/68/414966968.db2.gz	MESGPONBQYANOA-CYBMUJFWSA-N	-1	0	278.312	0.581	20	30		CCEDRM
C=CCOCCNC(=O)N[C@H](C(=O)[O-])[C@H]1CCCOC1	ZINC000663267041	415030461	/nfs/dbraw/zinc/03/04/61/415030461.db2.gz	WQUZLZDXPUSMIU-QWRGUYRKSA-N	-1	0	286.328	0.368	20	30		CCEDRM
C=CCCNC(=O)C(=O)NC[C@H](C(=O)[O-])C1CCC1	ZINC000663628537	415098750	/nfs/dbraw/zinc/09/87/50/415098750.db2.gz	FXPPJZAPGUVKSZ-JTQLQIEISA-N	-1	0	268.313	0.296	20	30		CCEDRM
N#Cc1cc(S(=O)(=O)N2CCC[C@H]2C(=O)[O-])ccc1F	ZINC000071238253	176093869	/nfs/dbraw/zinc/09/38/69/176093869.db2.gz	LKYNZEAMMRQXKG-NSHDSACASA-N	-1	0	298.295	0.935	20	30		CCEDRM
O=C(NCCN1C(=O)CCCC1=O)c1csc(=O)[nH]1	ZINC000329976685	228004348	/nfs/dbraw/zinc/00/43/48/228004348.db2.gz	FMXXOMYPGCLNLX-UHFFFAOYSA-N	-1	0	283.309	0.692	20	30		CCEDRM
Cc1nc(=NC(=O)c2ccc(CC#N)cc2)[n-]n1C	ZINC000355813537	228005963	/nfs/dbraw/zinc/00/59/63/228005963.db2.gz	RNOAWBARSBVQOH-UHFFFAOYSA-N	-1	0	255.281	0.864	20	30		CCEDRM
Cc1n[n-]c(=NC(=O)N[C@@H]2CC[S@](=O)C2)s1	ZINC000329988478	228007552	/nfs/dbraw/zinc/00/75/52/228007552.db2.gz	HFYKLQJFOAXNGW-KXHHVGMCSA-N	-1	0	260.344	0.115	20	30		CCEDRM
O=C(CSc1n[nH]c(=O)[n-]1)NC[C@H]1CCCC1=O	ZINC000330070994	228032813	/nfs/dbraw/zinc/03/28/13/228032813.db2.gz	XQZFOGLCIGINQB-ZCFIWIBFSA-N	-1	0	270.314	0.928	20	30		CCEDRM
C[C@@H]1C[C@H]1/N=C(/[O-])c1cn(C)c2c(cnn2C)c1=O	ZINC000329893913	545027435	/nfs/dbraw/zinc/02/74/35/545027435.db2.gz	JSTCDOIOVMXRRJ-GMSGAONNSA-N	-1	0	260.297	0.985	20	30		CCEDRM
Cn1nccc1S(=O)(=O)[N-]c1ncc(C#N)s1	ZINC000610725346	420494891	/nfs/dbraw/zinc/49/48/91/420494891.db2.gz	XSVCRRCCPBHLOZ-UHFFFAOYSA-N	-1	0	269.311	0.549	20	30		CCEDRM
C=C(C)COCCNS(=O)(=O)[N-]CC(F)(F)F	ZINC000126782189	260358339	/nfs/dbraw/zinc/35/83/39/260358339.db2.gz	UTHMJEARKAPQBD-UHFFFAOYSA-N	-1	0	276.280	0.565	20	30		CCEDRM
CCSc1n[n-]c(=NC(=O)N2CCO[C@H](C#N)C2)s1	ZINC000358348736	260638114	/nfs/dbraw/zinc/63/81/14/260638114.db2.gz	DATZALXFNWXODX-SSDOTTSWSA-N	-1	0	299.381	0.828	20	30		CCEDRM
C[C@]1(C(=O)[O-])CCCN1S(=O)(=O)CCCCC#N	ZINC000364465767	262246030	/nfs/dbraw/zinc/24/60/30/262246030.db2.gz	QAXSSSBWHQOXRE-LLVKDONJSA-N	-1	0	274.342	0.949	20	30		CCEDRM
C=C[C@@H]1OCC[C@H]1NC(=O)N(C)CCCC(=O)[O-]	ZINC000414618730	263012429	/nfs/dbraw/zinc/01/24/29/263012429.db2.gz	ZLEBNEGMPGCYBH-ZJUUUORDSA-N	-1	0	256.302	0.836	20	30		CCEDRM
N#C[C@H]1CN(C(=O)c2cccc([O-])c2[N+](=O)[O-])CCO1	ZINC000281071294	263066309	/nfs/dbraw/zinc/06/63/09/263066309.db2.gz	ZTLKDSYWJOMSEW-QMMMGPOBSA-N	-1	0	277.236	0.665	20	30		CCEDRM
CNC(=O)[C@@H](C)CN(C)C(=O)N=c1cn[n-]s1	ZINC000331080175	264115905	/nfs/dbraw/zinc/11/59/05/264115905.db2.gz	XIGKMWKYFUDSMB-LURJTMIESA-N	-1	0	257.319	0.398	20	30		CCEDRM
CCN(C[C@H](C)C#N)S(=O)(=O)[N-]CC(F)(F)F	ZINC000126927131	264239126	/nfs/dbraw/zinc/23/91/26/264239126.db2.gz	XVJJISPLKYOZHC-SSDOTTSWSA-N	-1	0	273.280	0.865	20	30		CCEDRM
C=CCN(CC(=O)[O-])C(=O)N(CCOC)CCOC	ZINC000092467130	264450881	/nfs/dbraw/zinc/45/08/81/264450881.db2.gz	GHVWMRSJENHVHA-UHFFFAOYSA-N	-1	0	274.317	0.274	20	30		CCEDRM
N#CCCCS(=O)(=O)N1CCC(F)(F)[C@H](C(=O)[O-])C1	ZINC000367499672	267095135	/nfs/dbraw/zinc/09/51/35/267095135.db2.gz	FUVYJCQLFCQMJO-QMMMGPOBSA-N	-1	0	296.295	0.662	20	30		CCEDRM
C[C@]1(C(=O)[O-])CCCN1S(=O)(=O)CCCC#N	ZINC000372750475	267596971	/nfs/dbraw/zinc/59/69/71/267596971.db2.gz	NGSCZOWYRPOFNO-SNVBAGLBSA-N	-1	0	260.315	0.559	20	30		CCEDRM
CN1CCO[C@H]2CN(C(=O)N=c3cn[n-]s3)C[C@@H]21	ZINC000330269916	290119925	/nfs/dbraw/zinc/11/99/25/290119925.db2.gz	SOXGYABGTSCCKY-YUMQZZPRSA-N	-1	0	269.330	0.098	20	30		CCEDRM
C=CCOCCNC(=O)c1ccc(C(=O)[O-])nc1	ZINC000385431561	545085306	/nfs/dbraw/zinc/08/53/06/545085306.db2.gz	MVPPOWPULZAIBE-UHFFFAOYSA-N	-1	0	250.254	0.712	20	30		CCEDRM
Cc1cc(C#N)ccc1S(=O)(=O)N[C@@H](C)C(=O)[O-]	ZINC000230275475	301077148	/nfs/dbraw/zinc/07/71/48/301077148.db2.gz	NADCLVHUDXROBT-QMMMGPOBSA-N	-1	0	268.294	0.618	20	30		CCEDRM
N#Cc1nc(NC(=O)c2cn3c(n2)CCCC3)[n-]c1C#N	ZINC000443319863	303216953	/nfs/dbraw/zinc/21/69/53/303216953.db2.gz	XWPWPBRACXARMO-UHFFFAOYSA-N	-1	0	281.279	0.938	20	30		CCEDRM
CC#CC[C@H](NS(=O)(=O)[C@@H]1CCO[C@@H](C)C1)C(=O)[O-]	ZINC000570850623	327626605	/nfs/dbraw/zinc/62/66/05/327626605.db2.gz	XCQYJIFPWHWKFO-AXFHLTTASA-N	-1	0	289.353	0.340	20	30		CCEDRM
N#CCCC1CCN(C(=O)C(=O)NCCC(=O)[O-])CC1	ZINC000563150135	327930954	/nfs/dbraw/zinc/93/09/54/327930954.db2.gz	LCTQQUJNLBRYHN-UHFFFAOYSA-N	-1	0	281.312	0.120	20	30		CCEDRM
C=CCC[C@H](NS(=O)(=O)c1cnc2n1CCC2)C(=O)[O-]	ZINC000571111186	328086388	/nfs/dbraw/zinc/08/63/88/328086388.db2.gz	ZZLBTKXJIPXZMN-VIFPVBQESA-N	-1	0	299.352	0.527	20	30		CCEDRM
C=CCC[C@@H](NS(=O)(=O)C1(COC)CC1)C(=O)[O-]	ZINC000571081839	328084773	/nfs/dbraw/zinc/08/47/73/328084773.db2.gz	HLCPJYDLSUNIFY-SECBINFHSA-N	-1	0	277.342	0.504	20	30		CCEDRM
CC[C@H](NS(=O)(=O)CC1(CC#N)CC1)C(=O)[O-]	ZINC000577280624	327253513	/nfs/dbraw/zinc/25/35/13/327253513.db2.gz	ARKDGZMGEDUZIK-QMMMGPOBSA-N	-1	0	260.315	0.463	20	30		CCEDRM
C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)N[C@H](C)C(=O)[O-]	ZINC000560488321	327313701	/nfs/dbraw/zinc/31/37/01/327313701.db2.gz	XMOICYNDNWZHIC-BBBLOLIVSA-N	-1	0	256.302	0.740	20	30		CCEDRM
C=CCOC[C@@H](NC(=O)NC[C@H](OC)C(C)C)C(=O)[O-]	ZINC000570629229	327606745	/nfs/dbraw/zinc/60/67/45/327606745.db2.gz	KPKDGLRSNPQTSR-MNOVXSKESA-N	-1	0	288.344	0.612	20	30		CCEDRM
C=CC[C@H](CC)NC(=O)N[C@@]1(C(=O)[O-])CCOC1	ZINC000393763361	329089424	/nfs/dbraw/zinc/08/94/24/329089424.db2.gz	PTVBKZAQXHZIIB-CABZTGNLSA-N	-1	0	256.302	0.884	20	30		CCEDRM
N#Cc1ccc(S(=O)(=O)NCC2(C(=O)[O-])CC2)c(F)c1	ZINC000582829958	329275190	/nfs/dbraw/zinc/27/51/90/329275190.db2.gz	HKRPZQXIDCVYBE-UHFFFAOYSA-N	-1	0	298.295	0.840	20	30		CCEDRM
CCCN(CC(=O)[O-])S(=O)(=O)CCCCC#N	ZINC000262470653	330015437	/nfs/dbraw/zinc/01/54/37/330015437.db2.gz	UJGQDLVDRIKZPU-UHFFFAOYSA-N	-1	0	262.331	0.807	20	30		CCEDRM
C=CCC[C@@H](NC(=O)CC(=O)NCC(F)(F)F)C(=O)[O-]	ZINC000262881920	330036108	/nfs/dbraw/zinc/03/61/08/330036108.db2.gz	KQXKOILGQBQAPI-SSDOTTSWSA-N	-1	0	296.245	0.591	20	30		CCEDRM
C=CCOC[C@H](NC(=O)C[C@H](C)SC)C(=O)[O-]	ZINC000262996427	330038174	/nfs/dbraw/zinc/03/81/74/330038174.db2.gz	LWKJDRWXLXLESO-IUCAKERBSA-N	-1	0	261.343	0.900	20	30		CCEDRM
C=CCCS(=O)(=O)N1C[C@H](C(=O)[O-])C[C@H](C)C1	ZINC000263252589	330048754	/nfs/dbraw/zinc/04/87/54/330048754.db2.gz	TUCWMOTZQQBYMU-VHSXEESVSA-N	-1	0	261.343	0.935	20	30		CCEDRM
C=C(C)[C@@H]1OCC[C@H]1CNC(=O)NCCC(=O)[O-]	ZINC000263413133	330054514	/nfs/dbraw/zinc/05/45/14/330054514.db2.gz	VIDWSNJJIZMROB-ONGXEEELSA-N	-1	0	256.302	0.742	20	30		CCEDRM
CCC[C@H](NS(=O)(=O)N(CC)C[C@@H](C)C#N)C(=O)[O-]	ZINC000263516131	330058583	/nfs/dbraw/zinc/05/85/83/330058583.db2.gz	ZYUVVVFXPDMFLF-UWVGGRQHSA-N	-1	0	291.373	0.556	20	30		CCEDRM
C#CCNC(=O)c1ccc(N(C)C[C@@H](C)C(=O)[O-])nc1	ZINC000263549898	330059460	/nfs/dbraw/zinc/05/94/60/330059460.db2.gz	JZGGKWHXBQOWJP-SNVBAGLBSA-N	-1	0	275.308	0.602	20	30		CCEDRM
N#CCC1(CS(=O)(=O)N2CCC[C@@H]2C(=O)[O-])CC1	ZINC000263560605	330059695	/nfs/dbraw/zinc/05/96/95/330059695.db2.gz	RGFFGZVPIAONDM-SECBINFHSA-N	-1	0	272.326	0.559	20	30		CCEDRM
C=CCN(CC=C)C(=O)C(=O)N1C[C@H](C)C[C@H](C(=O)[O-])C1	ZINC000422702004	330151139	/nfs/dbraw/zinc/15/11/39/330151139.db2.gz	CXNOETVTMRCHOM-NEPJUHHUSA-N	-1	0	294.351	0.756	20	30		CCEDRM
C=C(C)CN(CC)C(=O)C(=O)N1CC[C@](C)(C(=O)[O-])C1	ZINC000422716635	330151716	/nfs/dbraw/zinc/15/17/16/330151716.db2.gz	UTRXXKHTUCAPDT-AWEZNQCLSA-N	-1	0	282.340	0.734	20	30		CCEDRM
C=C(C)CN(C)C(=O)C(=O)N1CC[C@@](C)(C(=O)[O-])C1	ZINC000422856225	330157927	/nfs/dbraw/zinc/15/79/27/330157927.db2.gz	DYDKTMWPGLPUNC-CYBMUJFWSA-N	-1	0	268.313	0.344	20	30		CCEDRM
C=CCN(C(=O)C(=O)N1C[C@H](C(=O)[O-])C[C@H](C)C1)C1CC1	ZINC000422909567	330159714	/nfs/dbraw/zinc/15/97/14/330159714.db2.gz	GIRDRXYWVOSRMA-WDEREUQCSA-N	-1	0	294.351	0.733	20	30		CCEDRM
C=CCN(C(=O)C(=O)N1C[C@H](C)C[C@H](C(=O)[O-])C1)C1CC1	ZINC000422909565	330159754	/nfs/dbraw/zinc/15/97/54/330159754.db2.gz	GIRDRXYWVOSRMA-MNOVXSKESA-N	-1	0	294.351	0.733	20	30		CCEDRM
C=CCn1cc(CNC(=O)NCCCCCC(=O)[O-])nn1	ZINC000424396578	330350199	/nfs/dbraw/zinc/35/01/99/330350199.db2.gz	HJPIFWIDNHUPMJ-UHFFFAOYSA-N	-1	0	295.343	0.908	20	30		CCEDRM
O=C([O-])c1cnc(C(=O)NCC#Cc2ccccc2)cn1	ZINC000439941447	330744974	/nfs/dbraw/zinc/74/49/74/330744974.db2.gz	NMKIMJRFDOOPQX-UHFFFAOYSA-N	-1	0	281.271	0.956	20	30		CCEDRM
C#C[C@H](NS(=O)(=O)[N-]CC(F)(F)F)C(C)C	ZINC000300968576	331955771	/nfs/dbraw/zinc/95/57/71/331955771.db2.gz	RWIBNAQCNWZFCR-ZETCQYMHSA-N	-1	0	258.265	0.631	20	30		CCEDRM
C=CCn1cccc1C(=O)Nc1nnc(S(C)(=O)=O)[n-]1	ZINC000488984056	332036616	/nfs/dbraw/zinc/03/66/16/332036616.db2.gz	NQDCCEFHXRREES-UHFFFAOYSA-N	-1	0	295.324	0.448	20	30		CCEDRM
Cc1nnsc1CNS(=O)(=O)CC1(C#N)CC1	ZINC000490412263	332088923	/nfs/dbraw/zinc/08/89/23/332088923.db2.gz	FBFDFNHTSHZSJT-UHFFFAOYSA-N	-1	0	272.355	0.570	20	30		CCEDRM
C#C[C@@H](C)N(C)C(=O)N=c1[n-]nc(CCC(=O)OC)s1	ZINC000491538385	332233285	/nfs/dbraw/zinc/23/32/85/332233285.db2.gz	YSZWDHSCDZWBHJ-MRVPVSSYSA-N	-1	0	296.352	0.551	20	30		CCEDRM
C#C[C@@H]1COCCN1C(=O)c1ccc(-c2nc(=O)o[n-]2)cc1	ZINC000491655716	332267694	/nfs/dbraw/zinc/26/76/94/332267694.db2.gz	HFIFUGQXICJWSR-GFCCVEGCSA-N	-1	0	299.286	0.504	20	30		CCEDRM
CC#CCS(=O)(=O)[N-]C(=O)/C=C/c1ccc[nH]1	ZINC000492770779	332412897	/nfs/dbraw/zinc/41/28/97/332412897.db2.gz	GSAGZIPTBKMSGR-VOTSOKGWSA-N	-1	0	252.295	0.497	20	30		CCEDRM
N#CC1(CS(=O)(=O)NCC2(C(=O)[O-])CC2)CCCC1	ZINC000568956864	334848242	/nfs/dbraw/zinc/84/82/42/334848242.db2.gz	GVQODTORGVTMOO-UHFFFAOYSA-N	-1	0	286.353	0.855	20	30		CCEDRM
CCC(C#N)(CC)C(=O)[N-]S(=O)(=O)[C@H]1CCCOC1	ZINC000528981994	333467507	/nfs/dbraw/zinc/46/75/07/333467507.db2.gz	MYNAKLHWKZURDE-JTQLQIEISA-N	-1	0	288.369	0.941	20	30		CCEDRM
CN=c1[n-]nc(CC(=O)N(C[C@H](C)C#N)C2CC2)s1	ZINC000546836741	334051576	/nfs/dbraw/zinc/05/15/76/334051576.db2.gz	PLXRPJXHXIKHBO-MRVPVSSYSA-N	-1	0	279.369	0.695	20	30		CCEDRM
C=CCCS(=O)(=O)N[C@@H](C(=O)[O-])[C@H](C)C1CC1	ZINC000548867638	334177426	/nfs/dbraw/zinc/17/74/26/334177426.db2.gz	QVBOJWNIMCPZKI-PSASIEDQSA-N	-1	0	261.343	0.981	20	30		CCEDRM
C=CCC[C@H](NS(=O)(=O)c1cn(C)nc1C)C(=O)[O-]	ZINC000554433414	334430185	/nfs/dbraw/zinc/43/01/85/334430185.db2.gz	MVHPRIMBOJWPJT-VIFPVBQESA-N	-1	0	287.341	0.426	20	30		CCEDRM
C=CCOC[C@H](NC(=O)CSC(C)C)C(=O)[O-]	ZINC000564779706	334520424	/nfs/dbraw/zinc/52/04/24/334520424.db2.gz	WCMJJGANHULQGE-VIFPVBQESA-N	-1	0	261.343	0.900	20	30		CCEDRM
C=CCC[C@@H](NC(=O)c1snnc1C)C(=O)[O-]	ZINC000262905555	334578132	/nfs/dbraw/zinc/57/81/32/334578132.db2.gz	MRQKRQCJVXFHPE-SSDOTTSWSA-N	-1	0	255.299	0.996	20	30		CCEDRM
C=CCN=c1[n-]nc(S[C@H]2CON(CC)C2=O)s1	ZINC000565942657	334610450	/nfs/dbraw/zinc/61/04/50/334610450.db2.gz	YKRLHPLWSRPYEC-ZETCQYMHSA-N	-1	0	286.382	0.812	20	30		CCEDRM
C=CCOC[C@H](NC(=O)NC[C@@H]1CCCOC1)C(=O)[O-]	ZINC000580691964	335331234	/nfs/dbraw/zinc/33/12/34/335331234.db2.gz	XYVHPQHQQNZISQ-QWRGUYRKSA-N	-1	0	286.328	0.368	20	30		CCEDRM
C=CCOC[C@H](NS(=O)(=O)CCC1CC1)C(=O)[O-]	ZINC000578320290	335607161	/nfs/dbraw/zinc/60/71/61/335607161.db2.gz	MQGRRYLCURFOGT-JTQLQIEISA-N	-1	0	277.342	0.362	20	30		CCEDRM
C[C@H]1CCN(S(=O)(=O)CCCC#N)C[C@@H]1C(=O)[O-]	ZINC000579952853	335935394	/nfs/dbraw/zinc/93/53/94/335935394.db2.gz	RXMKMPYJQZAVFN-UWVGGRQHSA-N	-1	0	274.342	0.663	20	30		CCEDRM
N#CC1(CS(=O)(=O)N[C@H](CC(F)F)C(=O)[O-])CC1	ZINC000580809133	335969072	/nfs/dbraw/zinc/96/90/72/335969072.db2.gz	IMJGOQPXXXHIOI-ZCFIWIBFSA-N	-1	0	282.268	0.318	20	30		CCEDRM
CC[C@H](CNS(=O)(=O)c1cncc(C#N)c1)CC(=O)[O-]	ZINC000383759693	336117758	/nfs/dbraw/zinc/11/77/58/336117758.db2.gz	ODCPPNZKIGAQMO-VIFPVBQESA-N	-1	0	297.336	0.732	20	30		CCEDRM
C[C@]1(NC(=O)N=c2cn[n-]s2)CCS(=O)(=O)C1	ZINC000330003929	534178247	/nfs/dbraw/zinc/17/82/47/534178247.db2.gz	CEOZIFRCEWCFHD-QMMMGPOBSA-N	-1	0	276.343	0.250	20	30		CCEDRM
N#Cc1ccc(SCC(=O)NCc2n[n-]c(=N)o2)cc1	ZINC000356552765	526685724	/nfs/dbraw/zinc/68/57/24/526685724.db2.gz	SQISBGVQNNTWBR-UHFFFAOYSA-N	-1	0	289.320	0.762	20	30		CCEDRM
CCO[C@@H]1C[C@H](NC(=O)N=c2ccc(OC)n[n-]2)[C@H]1OC	ZINC000329038773	527892798	/nfs/dbraw/zinc/89/27/98/527892798.db2.gz	NRTSFXJOFOROGJ-YGOYTEALSA-N	-1	0	296.327	0.425	20	30		CCEDRM
CCC(=O)N1CC[C@@H](/N=C(/[O-])Nc2cccn(C)c2=O)C1	ZINC000329977512	528332607	/nfs/dbraw/zinc/33/26/07/528332607.db2.gz	ZTENDTLPPZQWFP-SNVBAGLBSA-N	-1	0	292.339	0.722	20	30		CCEDRM
CC(C)C[C@H](C(N)=O)C(=O)N=c1[nH][n-]c(C2CC2)c1C#N	ZINC000412345834	528445026	/nfs/dbraw/zinc/44/50/26/528445026.db2.gz	ZLEPSZHEEIWTHE-SECBINFHSA-N	-1	0	289.339	0.667	20	30		CCEDRM
CC1(C)CC[C@@H](C(=O)NCCc2n[n-]c(=N)o2)O1	ZINC000329129207	529014368	/nfs/dbraw/zinc/01/43/68/529014368.db2.gz	ZYMUNUZXSNTGLZ-ZETCQYMHSA-N	-1	0	254.290	0.939	20	30		CCEDRM
COCC#CCN1CCC[C@@H](c2n[nH]c(=O)[n-]2)C1	ZINC000676989627	545356100	/nfs/dbraw/zinc/35/61/00/545356100.db2.gz	JIKLZFBEDZMVSW-SNVBAGLBSA-N	-1	0	250.302	0.340	20	30		CCEDRM
C=CCOc1cccnc1C(=O)NCc1nnn[n-]1	ZINC000678794782	545397740	/nfs/dbraw/zinc/39/77/40/545397740.db2.gz	YJSOGBQLGICSJD-UHFFFAOYSA-N	-1	0	260.257	0.090	20	30		CCEDRM
C=CCCOCC(=O)N[C@]1(C(=O)[O-])CCSC1	ZINC000678984545	545400670	/nfs/dbraw/zinc/40/06/70/545400670.db2.gz	CLLJZDQNRKAGLQ-LLVKDONJSA-N	-1	0	259.327	0.656	20	30		CCEDRM
C=CC[C@H](NS(=O)(=O)[C@H](C)CCOC)C(=O)[O-]	ZINC000681559065	545456285	/nfs/dbraw/zinc/45/62/85/545456285.db2.gz	ZKIKQCGDODAZPO-BDAKNGLRSA-N	-1	0	265.331	0.360	20	30		CCEDRM
CCN(C[C@@H](C)C#N)C(=O)[C@H]1COCCN1C(=O)[O-]	ZINC000739402926	581131162	/nfs/dbraw/zinc/13/11/62/581131162.db2.gz	IITLRUFMLBIUAW-VHSXEESVSA-N	-1	0	269.301	0.373	20	30		CCEDRM
C=CCS(=O)(=O)[N-]C(=O)c1ccnn1CC(F)F	ZINC000789462184	581149993	/nfs/dbraw/zinc/14/99/93/581149993.db2.gz	XEYKRNYLUYZRLN-UHFFFAOYSA-N	-1	0	279.268	0.394	20	30		CCEDRM
C[C@H](CCNC(=O)N1CCC(C#N)CC1)NC(=O)[O-]	ZINC000738896584	581172721	/nfs/dbraw/zinc/17/27/21/581172721.db2.gz	FVZTWFQEUQBOAH-SECBINFHSA-N	-1	0	268.317	0.978	20	30		CCEDRM
C#CCCS(=O)(=O)[N-]C(=O)[C@H](C)OC[C@H]1CCCO1	ZINC000791110431	581207609	/nfs/dbraw/zinc/20/76/09/581207609.db2.gz	DIMOQCGHGHLLPR-WDEREUQCSA-N	-1	0	289.353	0.040	20	30		CCEDRM
CCC[C@@H](NC(=O)[O-])C(=O)N[C@@]1(C#N)CCSC1	ZINC000739312877	581103646	/nfs/dbraw/zinc/10/36/46/581103646.db2.gz	NRZAAWROPCWEQC-LDYMZIIASA-N	-1	0	271.342	0.938	20	30		CCEDRM
CCOc1cnc(C([O-])=C(C#N)C(=O)NC2CC2)cn1	ZINC000778607176	581160651	/nfs/dbraw/zinc/16/06/51/581160651.db2.gz	SJYULWYSMYFQCL-VIFPVBQESA-N	-1	0	274.280	0.476	20	30		CCEDRM
N#CCN(CC(=O)[O-])C(=O)CCCn1ccnc1	ZINC000739077378	581171966	/nfs/dbraw/zinc/17/19/66/581171966.db2.gz	NIMRBIXULLQOKN-UHFFFAOYSA-N	-1	0	250.258	0.100	20	30		CCEDRM
Cn1nccc1C(=O)[N-]S(=O)(=O)CC1(C#N)CCCC1	ZINC000779317234	581180669	/nfs/dbraw/zinc/18/06/69/581180669.db2.gz	YZALELQKXVAKBQ-UHFFFAOYSA-N	-1	0	296.352	0.564	20	30		CCEDRM
CC#CCS(=O)(=O)[N-]C(=O)CCCCCNC(C)=O	ZINC000791110130	581207551	/nfs/dbraw/zinc/20/75/51/581207551.db2.gz	VVGIYQWSRJYMOB-UHFFFAOYSA-N	-1	0	288.369	0.152	20	30		CCEDRM
CC(C)[C@@](C)(C#N)NC(=O)CN(C)[C@@H](C)CNC(=O)[O-]	ZINC000738942726	581211500	/nfs/dbraw/zinc/21/15/00/581211500.db2.gz	WZCRKMSPMDHWIB-GXFFZTMASA-N	-1	0	284.360	0.629	20	30		CCEDRM
COc1cc(C#N)ccc1OCC(=O)[N-]OCC(C)(C)O	ZINC000791263458	581212180	/nfs/dbraw/zinc/21/21/80/581212180.db2.gz	MXNBTUUQACGFLX-UHFFFAOYSA-N	-1	0	294.307	0.764	20	30		CCEDRM
O=C([O-])Cn1cc(CN=Nc2ncncc2Cl)nn1	ZINC000780278384	581224030	/nfs/dbraw/zinc/22/40/30/581224030.db2.gz	AIISKNPLLFBPTL-UHFFFAOYSA-N	-1	0	281.663	0.252	20	30		CCEDRM
C=CCCOCC(=O)[N-]S(=O)(=O)[C@@H]1CCCOC1	ZINC000780609126	581236329	/nfs/dbraw/zinc/23/63/29/581236329.db2.gz	YSEWNRKMAAAMIZ-SNVBAGLBSA-N	-1	0	277.342	0.204	20	30		CCEDRM
N#CC1(CS(=O)(=O)[N-]C(=O)[C@H]2C[C@@]23CCOC3)CC1	ZINC000793194674	581287779	/nfs/dbraw/zinc/28/77/79/581287779.db2.gz	URZKPIPFSGYDMT-BXKDBHETSA-N	-1	0	284.337	0.163	20	30		CCEDRM
Cc1nc(CC(=O)[N-]S(=O)(=O)CC2(C#N)CC2)cs1	ZINC000793212991	581288447	/nfs/dbraw/zinc/28/84/47/581288447.db2.gz	XRDRFCPQTJRPMF-UHFFFAOYSA-N	-1	0	299.377	0.744	20	30		CCEDRM
Cn1cc(/C=C/C(=O)[N-]S(=O)(=O)CC2(C#N)CC2)cn1	ZINC000793212177	581288540	/nfs/dbraw/zinc/28/85/40/581288540.db2.gz	KTHKPLJXBXTVPC-NSCUHMNNSA-N	-1	0	294.336	0.183	20	30		CCEDRM
N#CC1(NS(=O)(=O)c2ccc(C(=O)[O-])cc2)CC1	ZINC000738421390	581314621	/nfs/dbraw/zinc/31/46/21/581314621.db2.gz	CMGOAOAPONQJDD-UHFFFAOYSA-N	-1	0	266.278	0.719	20	30		CCEDRM
N#CCOc1ccc(CC(=O)NC2CN(C(=O)[O-])C2)cc1	ZINC000740305257	581322695	/nfs/dbraw/zinc/32/26/95/581322695.db2.gz	JMFLASBPZOSXKU-UHFFFAOYSA-N	-1	0	289.291	0.610	20	30		CCEDRM
N#CCCn1ccc(NC(=O)[C@H]2CSCN2C(=O)[O-])n1	ZINC000740308470	581322879	/nfs/dbraw/zinc/32/28/79/581322879.db2.gz	KIYYOCTUVXBBGL-MRVPVSSYSA-N	-1	0	295.324	0.788	20	30		CCEDRM
C=CCCO[C@@H](C)C(=O)N[C@@H]1CCN(C(=O)[O-])C1	ZINC000738493816	581361412	/nfs/dbraw/zinc/36/14/12/581361412.db2.gz	RXYYMSVLPIEETN-VHSXEESVSA-N	-1	0	256.302	0.836	20	30		CCEDRM
C[C@@H]1C[C@@H](C(=O)[N-]S(=O)(=O)c2ccc(C#N)cc2)CO1	ZINC000784481738	581385790	/nfs/dbraw/zinc/38/57/90/581385790.db2.gz	FPKPMVFYYPUSHQ-MWLCHTKSSA-N	-1	0	294.332	0.788	20	30		CCEDRM
Cn1cc2c(n1)CC/C(=C\c1cn(CC(=O)[O-])nn1)C2=O	ZINC000794961779	581392803	/nfs/dbraw/zinc/39/28/03/581392803.db2.gz	KQUAAWJKXCMMKH-XBXARRHUSA-N	-1	0	287.279	0.309	20	30		CCEDRM
CC(C)(C#N)CC(=O)[N-]S(=O)(=O)C[C@@H]1CCCO1	ZINC000786487531	581442506	/nfs/dbraw/zinc/44/25/06/581442506.db2.gz	NZWGMWROGZUHHP-VIFPVBQESA-N	-1	0	274.342	0.551	20	30		CCEDRM
COCCCNC(=O)C(C#N)=C([O-])c1cn(C(C)C)nn1	ZINC000796739964	581449431	/nfs/dbraw/zinc/44/94/31/581449431.db2.gz	HFWPRRWYMHMGHH-JTQLQIEISA-N	-1	0	293.327	0.334	20	30		CCEDRM
C#CCCS(=O)(=O)[N-]C(=O)c1nnn(C(C)C)c1C	ZINC000797201226	581461600	/nfs/dbraw/zinc/46/16/00/581461600.db2.gz	XDVCWLGDENPQLI-UHFFFAOYSA-N	-1	0	284.341	0.250	20	30		CCEDRM
N#CC1(CS(=O)(=O)[N-]C(=O)COC(F)F)CCCC1	ZINC000797244900	581462788	/nfs/dbraw/zinc/46/27/88/581462788.db2.gz	OIHKDQPFUAIDRT-UHFFFAOYSA-N	-1	0	296.295	0.756	20	30		CCEDRM
C[C@@H]1CN(C(=O)C2(C#N)CCOCC2)CC[C@H]1NC(=O)[O-]	ZINC000739118084	581507638	/nfs/dbraw/zinc/50/76/38/581507638.db2.gz	CEPDVIUNVXFVQB-GHMZBOCLSA-N	-1	0	295.339	0.811	20	30		CCEDRM
N#Cc1cccc(NC(=O)Cn2cnc(C(=O)[O-])n2)c1	ZINC000739133547	581509922	/nfs/dbraw/zinc/50/99/22/581509922.db2.gz	JUARMEOTAMJQIX-UHFFFAOYSA-N	-1	0	271.236	0.487	20	30		CCEDRM
COCCNC(=O)C(C#N)=C([O-])c1ccn(C(C)C)n1	ZINC000733679335	581517996	/nfs/dbraw/zinc/51/79/96/581517996.db2.gz	YENZKUKCJPCZDD-JTQLQIEISA-N	-1	0	278.312	0.549	20	30		CCEDRM
N#CC(C(=O)NC1CC1)=C([O-])c1ccc2nncn2c1	ZINC000733678918	581517997	/nfs/dbraw/zinc/51/79/97/581517997.db2.gz	OBEVMZWTSYOAEI-SNVBAGLBSA-N	-1	0	269.264	0.330	20	30		CCEDRM
C=CCCO[C@H](C)C(=O)[N-]S(=O)(=O)[C@@H](C)COC	ZINC000733716455	581519288	/nfs/dbraw/zinc/51/92/88/581519288.db2.gz	PNFMKVYSOAZBCV-VHSXEESVSA-N	-1	0	279.358	0.449	20	30		CCEDRM
N#Cc1ccc(C(=O)[N-]S(=O)(=O)[C@H]2CCOC2)cc1	ZINC000733725073	581521962	/nfs/dbraw/zinc/52/19/62/581521962.db2.gz	ZPDYKTNRHUFHTM-NSHDSACASA-N	-1	0	280.305	0.407	20	30		CCEDRM
CCn1cc(C([O-])=C(C#N)C(=O)NCCCOC)cn1	ZINC000734079145	581542946	/nfs/dbraw/zinc/54/29/46/581542946.db2.gz	LCGPNSPKBLDZKS-LLVKDONJSA-N	-1	0	278.312	0.378	20	30		CCEDRM
CS(=O)(=O)CCNN=C1CCC(C(=O)[O-])CC1	ZINC000738128167	581552802	/nfs/dbraw/zinc/55/28/02/581552802.db2.gz	YUSOYVQXGBJCJQ-UHFFFAOYSA-N	-1	0	262.331	0.251	20	30		CCEDRM
CCOCCCC(=O)[N-]S(=O)(=O)CC1(C#N)CC1	ZINC000753944857	581566232	/nfs/dbraw/zinc/56/62/32/581566232.db2.gz	HFRKBROFLVNMIV-UHFFFAOYSA-N	-1	0	274.342	0.553	20	30		CCEDRM
Cc1nc2cc(=O)[n-]n2c(C)c1CC(=O)OCC#N	ZINC000729287668	581572799	/nfs/dbraw/zinc/57/27/99/581572799.db2.gz	JFCWBUUHKAVCFN-UHFFFAOYSA-N	-1	0	260.253	0.661	20	30		CCEDRM
CCCn1cc(C([O-])=C(C#N)C(=O)N2CCCC2)nn1	ZINC000766614359	581572853	/nfs/dbraw/zinc/57/28/53/581572853.db2.gz	SXMDVCWRTSZTJT-JTQLQIEISA-N	-1	0	275.312	0.633	20	30		CCEDRM
C=C[C@H](CC(=O)[N-]S(=O)(=O)CC(N)=O)c1ccccc1	ZINC000766923113	581587393	/nfs/dbraw/zinc/58/73/93/581587393.db2.gz	HCFFLIUEYCWKLL-SNVBAGLBSA-N	-1	0	296.348	0.278	20	30		CCEDRM
COc1ccccc1S(=O)(=O)N(CC#N)CC(=O)[O-]	ZINC000738142862	581589417	/nfs/dbraw/zinc/58/94/17/581589417.db2.gz	OQSLCKSIMGCKMW-UHFFFAOYSA-N	-1	0	284.293	0.294	20	30		CCEDRM
CN(CCCNS(=O)(=O)CCCC#N)C(=O)[O-]	ZINC000739684936	581593424	/nfs/dbraw/zinc/59/34/24/581593424.db2.gz	NYDHFXLJEVNNOV-UHFFFAOYSA-N	-1	0	263.319	0.209	20	30		CCEDRM
COCCN(CC(=O)N(C)[C@H](C)CC#N)C(=O)[O-]	ZINC000739811338	581621357	/nfs/dbraw/zinc/62/13/57/581621357.db2.gz	ATNODLIEKPYPEG-SECBINFHSA-N	-1	0	257.290	0.373	20	30		CCEDRM
CON=Cc1ccc(C(=O)NC2CN(C(=O)[O-])C2)cc1	ZINC000739849301	581629771	/nfs/dbraw/zinc/62/97/71/581629771.db2.gz	SQEWXMRKDZOVJM-UHFFFAOYSA-N	-1	0	277.280	0.759	20	30		CCEDRM
Cc1nnc([S-])n(N=Cc2ccc3c[nH]nc3c2)c1=O	ZINC000755510014	581642999	/nfs/dbraw/zinc/64/29/99/581642999.db2.gz	BMZDQGSMOQSKFD-UHFFFAOYSA-N	-1	0	286.320	0.994	20	30		CCEDRM
O=C([O-])c1ccoc1Cn1ccc(C=NO)nc1=O	ZINC000740250897	581651769	/nfs/dbraw/zinc/65/17/69/581651769.db2.gz	AXODFRUPMGCDGN-UHFFFAOYSA-N	-1	0	263.209	0.391	20	30		CCEDRM
N#CCCCCOC(=O)[C@H]1C[C@H](O)CN1C(=O)[O-]	ZINC000740308351	581663421	/nfs/dbraw/zinc/66/34/21/581663421.db2.gz	XTPHKAUXZBOYDP-DTWKUNHWSA-N	-1	0	256.258	0.337	20	30		CCEDRM
N#CC1CCN(C(=O)N[C@@H](CNC(=O)[O-])C2CC2)CC1	ZINC000740309116	581663499	/nfs/dbraw/zinc/66/34/99/581663499.db2.gz	DKZZDWKZNBSPDZ-NSHDSACASA-N	-1	0	280.328	0.978	20	30		CCEDRM
N#C[C@@H]1CN(C(=O)[C@@H]2CCC[C@H]2NC(=O)[O-])CCO1	ZINC000740309104	581663512	/nfs/dbraw/zinc/66/35/12/581663512.db2.gz	DJQAJVXZCSNDEM-OPRDCNLKSA-N	-1	0	267.285	0.174	20	30		CCEDRM
N#Cc1ccc(C(=O)N[C@@H]2CCN(C(=O)[O-])C2)cn1	ZINC000740313218	581664412	/nfs/dbraw/zinc/66/44/12/581664412.db2.gz	KVRVEOQWCJUELY-SNVBAGLBSA-N	-1	0	260.253	0.435	20	30		CCEDRM
N#Cc1ccc(C(=O)O[C@H]2CCN(C(=O)[O-])C2)cn1	ZINC000740313251	581664822	/nfs/dbraw/zinc/66/48/22/581664822.db2.gz	SABHWTXCFOTMQX-JTQLQIEISA-N	-1	0	261.237	0.862	20	30		CCEDRM
N#Cc1ccc(NC(=O)C(=O)NCCCNC(=O)[O-])cc1	ZINC000740317266	581665373	/nfs/dbraw/zinc/66/53/73/581665373.db2.gz	QXXGSPSMFQGYGG-UHFFFAOYSA-N	-1	0	290.279	0.271	20	30		CCEDRM
COC(=O)CCC(C)N=Nc1nnc(C)c(=O)[n-]1	ZINC000756876540	581683480	/nfs/dbraw/zinc/68/34/80/581683480.db2.gz	KONGLWJDLVUCEJ-UHFFFAOYSA-N	-1	0	253.262	0.627	20	30		CCEDRM
C=CCNC(=O)NC(=O)[C@H](C)SC[C@@H](C)C(=O)[O-]	ZINC000736106243	581696960	/nfs/dbraw/zinc/69/69/60/581696960.db2.gz	VOKYZWHKIAHBTA-SFYZADRCSA-N	-1	0	274.342	0.841	20	30		CCEDRM
C=CCN(CC=C)C(=O)[C@H](C)N1CCO[C@H](C(=O)[O-])C1	ZINC000736107928	581697576	/nfs/dbraw/zinc/69/75/76/581697576.db2.gz	AZUBNPSYQSPKCR-RYUDHWBXSA-N	-1	0	282.340	0.361	20	30		CCEDRM
C=CCN(CC(=O)OCC)C(=O)CCNC(=O)[O-]	ZINC000736108075	581697655	/nfs/dbraw/zinc/69/76/55/581697655.db2.gz	JDGQDNXMRBCYNF-UHFFFAOYSA-N	-1	0	258.274	0.222	20	30		CCEDRM
C#CCOc1cccc(NC(=O)C(=O)NCCC(=O)[O-])c1	ZINC000736089324	581700382	/nfs/dbraw/zinc/70/03/82/581700382.db2.gz	JVKCTHFKEXZNDD-UHFFFAOYSA-N	-1	0	290.275	0.228	20	30		CCEDRM
C[C@@H](C#N)C(=O)Nc1ccc(CC(=O)NCC(=O)[O-])cc1	ZINC000736201560	581714242	/nfs/dbraw/zinc/71/42/42/581714242.db2.gz	IIMYVKSVHWXJNO-VIFPVBQESA-N	-1	0	289.291	0.528	20	30		CCEDRM
CC(C)(C#N)C(=O)OCc1noc(CCC(=O)[O-])n1	ZINC000736223570	581717793	/nfs/dbraw/zinc/71/77/93/581717793.db2.gz	LSEDYCDCERUKSX-UHFFFAOYSA-N	-1	0	267.241	0.680	20	30		CCEDRM
CC[C@](C)(C#N)NC(=O)c1ccc(-c2nn[nH]n2)cn1	ZINC000736315211	581737433	/nfs/dbraw/zinc/73/74/33/581737433.db2.gz	XARGXLKJNIYKLK-GFCCVEGCSA-N	-1	0	271.284	0.684	20	30		CCEDRM
CC(C)[C@@H](NC(=O)[O-])C(=O)N1CCO[C@H](C#N)C1	ZINC000736365221	581752077	/nfs/dbraw/zinc/75/20/77/581752077.db2.gz	QKFCGMSCOUFKMD-RKDXNWHRSA-N	-1	0	255.274	0.030	20	30		CCEDRM
N#CC1(C(=O)[N-]O[C@@H]2CCCCO2)CCOCC1	ZINC000731485609	581769509	/nfs/dbraw/zinc/76/95/09/581769509.db2.gz	VORBVEZPRYBVKD-SNVBAGLBSA-N	-1	0	254.286	0.881	20	30		CCEDRM
CCCC(=O)NCC(=O)C(C#N)=C([O-])c1nccn1C	ZINC000770861980	581775496	/nfs/dbraw/zinc/77/54/96/581775496.db2.gz	KWOIHQCBEAAGQQ-VIFPVBQESA-N	-1	0	276.296	0.228	20	30		CCEDRM
Cc1nnc([S-])n(N=Cc2cccc3nccn32)c1=O	ZINC000771087742	581790892	/nfs/dbraw/zinc/79/08/92/581790892.db2.gz	HPYAPFHVHRYPSW-UHFFFAOYSA-N	-1	0	286.320	0.765	20	30		CCEDRM
C[C@H](CNC(=O)C(=O)Nc1ccc(F)c(C#N)c1)C(=O)[O-]	ZINC000736589087	581799709	/nfs/dbraw/zinc/79/97/09/581799709.db2.gz	WCBAZMHAZIYLIH-SSDOTTSWSA-N	-1	0	293.254	0.473	20	30		CCEDRM
N#C[C@@H]1CN(C(=O)c2n[n-]c3ccccc3c2=O)CCO1	ZINC000732289259	581818191	/nfs/dbraw/zinc/81/81/91/581818191.db2.gz	NYKDFMSVDUJQDU-SECBINFHSA-N	-1	0	284.275	0.700	20	30		CCEDRM
C[C@H](OC[C@@H]1CCCO1)C(=O)N(CC#N)CC(=O)[O-]	ZINC000736697801	581820578	/nfs/dbraw/zinc/82/05/78/581820578.db2.gz	SHWNIKSCDRVPIJ-UWVGGRQHSA-N	-1	0	270.285	0.007	20	30		CCEDRM
C[C@@H](OC[C@H]1CCCCO1)C(=O)N(CC#N)CC(=O)[O-]	ZINC000736696271	581820902	/nfs/dbraw/zinc/82/09/02/581820902.db2.gz	JYGHHKMHZRVYQW-GHMZBOCLSA-N	-1	0	284.312	0.397	20	30		CCEDRM
N#Cc1cccc(S(=O)(=O)[N-]C(=O)C2=COCC2)c1	ZINC000744013629	581829572	/nfs/dbraw/zinc/82/95/72/581829572.db2.gz	CPWHTOQOYGJMFZ-UHFFFAOYSA-N	-1	0	278.289	0.667	20	30		CCEDRM
C=CCS(=O)(=O)[N-]C(=O)[C@@H](C)OCCOCC	ZINC000772713535	581885369	/nfs/dbraw/zinc/88/53/69/581885369.db2.gz	KPZJSKMIUHOAJO-SECBINFHSA-N	-1	0	265.331	0.060	20	30		CCEDRM
C=CCS(=O)(=O)[N-]C(=O)COc1ccccc1OC	ZINC000772726350	581887350	/nfs/dbraw/zinc/88/73/50/581887350.db2.gz	FUDVWNBLZQGFMA-UHFFFAOYSA-N	-1	0	285.321	0.706	20	30		CCEDRM
CCN(CCC#N)C(=O)COC(=O)[C@H]1C[C@@H]1C(=O)[O-]	ZINC000737094548	581903030	/nfs/dbraw/zinc/90/30/30/581903030.db2.gz	SNRYVDARNUUDHC-IUCAKERBSA-N	-1	0	268.269	0.012	20	30		CCEDRM
C=CCOCCCC(=O)N1CCSC[C@H]1c1nnn[n-]1	ZINC000773152817	581911072	/nfs/dbraw/zinc/91/10/72/581911072.db2.gz	NPYBRYFJEWQAEU-JTQLQIEISA-N	-1	0	297.384	0.799	20	30		CCEDRM
Cc1cc(C)n(N=Cc2nccn2C)c(=O)c1-c1nnn[n-]1	ZINC000737257617	581927666	/nfs/dbraw/zinc/92/76/66/581927666.db2.gz	WOFRXVLCPBSYGK-UHFFFAOYSA-N	-1	0	298.310	0.261	20	30		CCEDRM
CC#CC[C@H](NS(=O)(=O)CCOC(C)C)C(=O)[O-]	ZINC000274980418	581936942	/nfs/dbraw/zinc/93/69/42/581936942.db2.gz	JOISCYBZRHTFLZ-JTQLQIEISA-N	-1	0	277.342	0.197	20	30		CCEDRM
Cc1nn(C)c2ncc(C=NNc3nnc(C)c(=O)[n-]3)cc12	ZINC000747609943	581946578	/nfs/dbraw/zinc/94/65/78/581946578.db2.gz	DEAMKJXVXFNVET-UHFFFAOYSA-N	-1	0	298.310	0.922	20	30		CCEDRM
N#CCNC(=O)COC(=O)c1ccc([O-])c(Cl)c1	ZINC000762821446	581964951	/nfs/dbraw/zinc/96/49/51/581964951.db2.gz	DDPWTRDYGRIFTB-UHFFFAOYSA-N	-1	0	268.656	0.842	20	30		CCEDRM
C=CCCO[C@@H](C)C(=O)[N-]S(=O)(=O)C1CCC1	ZINC000774288416	581969090	/nfs/dbraw/zinc/96/90/90/581969090.db2.gz	MTLKNTUKNXUJQB-VIFPVBQESA-N	-1	0	261.343	0.966	20	30		CCEDRM
C=CCN(CC(=O)[O-])C(=O)c1ccc2nnc(C)n2c1	ZINC000737527355	581973362	/nfs/dbraw/zinc/97/33/62/581973362.db2.gz	OBXQSYNWHOFZDO-UHFFFAOYSA-N	-1	0	274.280	0.751	20	30		CCEDRM
N#Cc1ccc([C@@H](O)C(=O)[N-]OC2CCOCC2)cc1	ZINC000775240814	582015884	/nfs/dbraw/zinc/01/58/84/582015884.db2.gz	KJTREEKEOICRPN-CYBMUJFWSA-N	-1	0	276.292	0.818	20	30		CCEDRM
COc1ccc(OC)c(C(=O)N(CC#N)CC(=O)[O-])c1	ZINC000738043619	582017754	/nfs/dbraw/zinc/01/77/54/582017754.db2.gz	DEGWIMCXLMUUGF-UHFFFAOYSA-N	-1	0	278.264	0.754	20	30		CCEDRM
COc1ccnc(Cn2cc(C(=O)[O-])cc(C#N)c2=O)c1	ZINC000738142613	582024679	/nfs/dbraw/zinc/02/46/79/582024679.db2.gz	CLSRGDHJAFFTIP-UHFFFAOYSA-N	-1	0	285.259	0.870	20	30		CCEDRM
Cc1c(C(=O)N(CC#N)CC(=O)[O-])nnn1-c1ccccc1	ZINC000738259065	582032619	/nfs/dbraw/zinc/03/26/19/582032619.db2.gz	ZKJWLYJOOIMHGM-UHFFFAOYSA-N	-1	0	299.290	0.626	20	30		CCEDRM
CO[C@@H](C)CS(=O)(=O)[N-]C(=O)c1ccc(C#N)s1	ZINC000764206143	582036629	/nfs/dbraw/zinc/03/66/29/582036629.db2.gz	DQTCSQKNIGHAJT-ZETCQYMHSA-N	-1	0	288.350	0.714	20	30		CCEDRM
N#CC1(NC(=O)[C@@H]2CCCN(C(=O)[O-])C2)CCOCC1	ZINC000738423121	582047787	/nfs/dbraw/zinc/04/77/87/582047787.db2.gz	PMDFHFVFKLVKFI-SNVBAGLBSA-N	-1	0	281.312	0.565	20	30		CCEDRM
Cc1noc(C)c1CC(=O)[N-]S(=O)(=O)CCCC#N	ZINC000776124080	582052134	/nfs/dbraw/zinc/05/21/34/582052134.db2.gz	XKRATGGZPAXLPE-UHFFFAOYSA-N	-1	0	285.325	0.584	20	30		CCEDRM
C#CCCN1CCN(C(=O)[C@@](C)(CCC)NC(=O)[O-])CC1	ZINC000738457621	582052633	/nfs/dbraw/zinc/05/26/33/582052633.db2.gz	RIDTWOJIJJNSLZ-OAHLLOKOSA-N	-1	0	295.383	0.980	20	30		CCEDRM
N#CCCCS(=O)(=O)[N-]C(=O)C1CC(F)(F)C1	ZINC000776123589	582052816	/nfs/dbraw/zinc/05/28/16/582052816.db2.gz	PLTPAIUTDOQAAD-UHFFFAOYSA-N	-1	0	266.269	0.781	20	30		CCEDRM
C#CCNC(=O)[C@H](C)OC(=O)[C@@](C)(CCC)NC(=O)[O-]	ZINC000738459805	582053176	/nfs/dbraw/zinc/05/31/76/582053176.db2.gz	DUHWBSBCJXXIBZ-TVQRCGJNSA-N	-1	0	284.312	0.494	20	30		CCEDRM
C#CCNC(=O)NCCCN(Cc1cccnc1)C(=O)[O-]	ZINC000738462964	582053850	/nfs/dbraw/zinc/05/38/50/582053850.db2.gz	HTWBLJXNACQPNL-UHFFFAOYSA-N	-1	0	290.323	0.884	20	30		CCEDRM
CC(C)OCC(=O)[N-]S(=O)(=O)CC(C)(C)C#N	ZINC000776142218	582054017	/nfs/dbraw/zinc/05/40/17/582054017.db2.gz	AWNOXWJIEYWBEZ-UHFFFAOYSA-N	-1	0	262.331	0.407	20	30		CCEDRM
C=C(Br)CNC(=O)[C@@H]1COCCN1C(=O)[O-]	ZINC000738470137	582054269	/nfs/dbraw/zinc/05/42/69/582054269.db2.gz	IUXQETKSNFYZHI-ZETCQYMHSA-N	-1	0	293.117	0.390	20	30		CCEDRM
CC(C)(C#N)NC(=O)c1csc(CNC(=O)[O-])n1	ZINC000738651342	582068534	/nfs/dbraw/zinc/06/85/34/582068534.db2.gz	LLRAUMITAFIQAK-UHFFFAOYSA-N	-1	0	268.298	0.943	20	30		CCEDRM
CN(CCC#N)S(=O)(=O)Nc1ccc(O)c(C(=O)[O-])c1	ZINC000776435045	582072999	/nfs/dbraw/zinc/07/29/99/582072999.db2.gz	WYFREPRWIVNVLF-UHFFFAOYSA-N	-1	0	299.308	0.593	20	30		CCEDRM
CC(C)NC(=O)[C@@H](C#N)C(=O)CSCC(=O)[O-]	ZINC000738852806	582083316	/nfs/dbraw/zinc/08/33/16/582083316.db2.gz	AJLBMMWZBFTGJM-ZETCQYMHSA-N	-1	0	258.299	0.038	20	30		CCEDRM
N#CCN(CC(=O)[O-])C(=O)CCc1ccc(C#N)cc1	ZINC000739076975	582101491	/nfs/dbraw/zinc/10/14/91/582101491.db2.gz	FPJZFYOCUYIDNE-UHFFFAOYSA-N	-1	0	271.276	0.928	20	30		CCEDRM
N#CCN(CC(=O)[O-])C(=O)CCNC(=O)c1cccs1	ZINC000739076702	582101514	/nfs/dbraw/zinc/10/15/14/582101514.db2.gz	CLQKLZWWYZTSBB-UHFFFAOYSA-N	-1	0	295.320	0.305	20	30		CCEDRM
N#CCN(CC(=O)[O-])C(=O)c1ccnc(-n2cccn2)c1	ZINC000739085824	582101921	/nfs/dbraw/zinc/10/19/21/582101921.db2.gz	DBAQVBTXOUWILH-UHFFFAOYSA-N	-1	0	285.263	0.318	20	30		CCEDRM
N#CCN(CC(=O)[O-])C(=O)c1ccc(NC(N)=O)cc1	ZINC000739088192	582102161	/nfs/dbraw/zinc/10/21/61/582102161.db2.gz	RZYXLNCLAWHVEG-UHFFFAOYSA-N	-1	0	276.252	0.228	20	30		CCEDRM
N#Cc1ccc(C(=O)N[C@@H]2CCCN(C(=O)[O-])C2)nc1	ZINC000739102199	582102440	/nfs/dbraw/zinc/10/24/40/582102440.db2.gz	SMIXIDDOVDNKBR-SNVBAGLBSA-N	-1	0	274.280	0.825	20	30		CCEDRM
N#CCCCCS(=O)(=O)NC1(CC(=O)[O-])CCC1	ZINC000833065473	601443612	/nfs/dbraw/zinc/44/36/12/601443612.db2.gz	FTDWKAZFDOYBOX-UHFFFAOYSA-N	-1	0	274.342	0.997	20	30		CCEDRM
Cn1cc(C#N)c(NC(=O)NCCCC(=O)[O-])n1	ZINC000819063566	596916632	/nfs/dbraw/zinc/91/66/32/596916632.db2.gz	GGPLBOBBYSYSJP-UHFFFAOYSA-N	-1	0	251.246	0.278	20	30		CCEDRM
N#Cc1cc(COC(=O)CSCC(=O)[O-])ccn1	ZINC000819095949	596959606	/nfs/dbraw/zinc/95/96/06/596959606.db2.gz	PBPTXBYDJYEBPW-UHFFFAOYSA-N	-1	0	266.278	0.814	20	30		CCEDRM
N#CCCn1ncc2c1ncnc2NCCC(=O)[O-]	ZINC000819090800	597140210	/nfs/dbraw/zinc/14/02/10/597140210.db2.gz	DAIBBNMSLXGOIO-UHFFFAOYSA-N	-1	0	260.257	0.627	20	30		CCEDRM
Cc1cccc(S(=O)(=O)N2CC[C@H](C(=O)[O-])C2)c1C#N	ZINC000179072491	597368804	/nfs/dbraw/zinc/36/88/04/597368804.db2.gz	JQIBTARNALNFOE-JTQLQIEISA-N	-1	0	294.332	0.962	20	30		CCEDRM
C[C@H](C#N)CN(C(=O)CSCC(=O)[O-])C1CC1	ZINC000819873876	597387499	/nfs/dbraw/zinc/38/74/99/597387499.db2.gz	FDRXUTDVDRBXPQ-MRVPVSSYSA-N	-1	0	256.327	0.955	20	30		CCEDRM
C[C@@H](C(=O)[O-])N(C)S(=O)(=O)c1cccc(F)c1C#N	ZINC000070394001	597478736	/nfs/dbraw/zinc/47/87/36/597478736.db2.gz	IFAYWVQHZXECAI-ZETCQYMHSA-N	-1	0	286.284	0.791	20	30		CCEDRM
C#CCOCCNC(=O)NC[C@H](CC(C)C)C(=O)[O-]	ZINC000818623520	612987217	/nfs/dbraw/zinc/98/72/17/612987217.db2.gz	HFHJJXWLAVESNL-NSHDSACASA-N	-1	0	270.329	0.682	20	30		CCEDRM
C[C@](C#N)(CC(=O)[O-])C(=O)OCc1nc(C2CC2)no1	ZINC000819875166	597616504	/nfs/dbraw/zinc/61/65/04/597616504.db2.gz	UZIILEJDXJZGBX-GFCCVEGCSA-N	-1	0	279.252	0.995	20	30		CCEDRM
Cc1nnc(COC(=O)[C@](C)(C#N)CC(=O)[O-])n1C1CC1	ZINC000821225030	597616592	/nfs/dbraw/zinc/61/65/92/597616592.db2.gz	QSVNWGFERHJDEH-ZDUSSCGKSA-N	-1	0	292.295	0.969	20	30		CCEDRM
Cn1c(COC(=O)[C@@](C)(C#N)CC(=O)[O-])nnc1C1CC1	ZINC000821277343	597619146	/nfs/dbraw/zinc/61/91/46/597619146.db2.gz	DDSKQDOZXHQJDO-CYBMUJFWSA-N	-1	0	292.295	0.740	20	30		CCEDRM
C[C@@](C#N)(CC(=O)[O-])C(=O)OCCCN1CCOCC1	ZINC000819865259	597620893	/nfs/dbraw/zinc/62/08/93/597620893.db2.gz	JPLUUURUPDYOKN-ZDUSSCGKSA-N	-1	0	284.312	0.256	20	30		CCEDRM
C[C@@](C#N)(CC(=O)[O-])C(=O)OCCn1ccc([N+](=O)[O-])n1	ZINC000819875117	597622295	/nfs/dbraw/zinc/62/22/95/597622295.db2.gz	UEJDUXZKCGKNON-NSHDSACASA-N	-1	0	296.239	0.339	20	30		CCEDRM
C[C@](C#N)(CC(=O)[O-])C(=O)OCc1cn2cccnc2n1	ZINC000819875138	597622438	/nfs/dbraw/zinc/62/24/38/597622438.db2.gz	UKBBWEJLGSYERU-CYBMUJFWSA-N	-1	0	288.263	0.777	20	30		CCEDRM
Cc1nnc(COC(=O)[C@@](C)(C#N)CC(=O)[O-])o1	ZINC000821224710	597625771	/nfs/dbraw/zinc/62/57/71/597625771.db2.gz	IKSNWFAFSANBOO-SNVBAGLBSA-N	-1	0	253.214	0.426	20	30		CCEDRM
C[C@](C#N)(CC(=O)[O-])C(=O)N1CC(Oc2ccncc2)C1	ZINC000819810966	597642545	/nfs/dbraw/zinc/64/25/45/597642545.db2.gz	JDMDQIJDVXGUPJ-CQSZACIVSA-N	-1	0	289.291	0.676	20	30		CCEDRM
C[C@](C#N)(CC(=O)[O-])C(=O)N1CC(n2cccn2)C1	ZINC000819811426	597642632	/nfs/dbraw/zinc/64/26/32/597642632.db2.gz	OJSMDRLLWDJVPG-GFCCVEGCSA-N	-1	0	262.269	0.271	20	30		CCEDRM
C[C@](C#N)(CC(=O)[O-])C(=O)NCc1nncn1C1CC1	ZINC000819846401	597644375	/nfs/dbraw/zinc/64/43/75/597644375.db2.gz	CIFUKRCAPHDMST-GFCCVEGCSA-N	-1	0	277.284	0.234	20	30		CCEDRM
C[C@](C#N)(CC(=O)[O-])C(=O)N[C@H]1CCCC[C@H]1O	ZINC000819822507	597656599	/nfs/dbraw/zinc/65/65/99/597656599.db2.gz	OEYANBNLSGWDES-YGOYTEALSA-N	-1	0	254.286	0.411	20	30		CCEDRM
C[C@@](C#N)(CC(=O)[O-])C(=O)N1CCC[C@@H](CCO)C1	ZINC000819810458	597659400	/nfs/dbraw/zinc/65/94/00/597659400.db2.gz	BKDUOXHQQHQEMY-GWCFXTLKSA-N	-1	0	268.313	0.612	20	30		CCEDRM
C[C@](O)(CNC(=O)[C@](C)(C#N)CC(=O)[O-])C(F)(F)F	ZINC000819835485	597659973	/nfs/dbraw/zinc/65/99/73/597659973.db2.gz	VJCLPYPMHWJBND-IUCAKERBSA-N	-1	0	282.218	0.420	20	30		CCEDRM
C[C@](C#N)(CC(=O)[O-])C(=O)Nc1ccc2c(c1)C(=O)NC2	ZINC000819857628	598225844	/nfs/dbraw/zinc/22/58/44/598225844.db2.gz	ZBRAYHZNXIHWGZ-CQSZACIVSA-N	-1	0	287.275	0.873	20	30		CCEDRM
C[C@@](C#N)(CC(=O)[O-])C(=O)Nc1ccc2c(c1)C(=O)NC2	ZINC000819857623	598225846	/nfs/dbraw/zinc/22/58/46/598225846.db2.gz	ZBRAYHZNXIHWGZ-AWEZNQCLSA-N	-1	0	287.275	0.873	20	30		CCEDRM
Cc1noc([C@H](C)NC(=O)[C@](C)(C#N)CC(=O)[O-])n1	ZINC000821224742	598225973	/nfs/dbraw/zinc/22/59/73/598225973.db2.gz	JWANDKWBIKARLM-KGFZYKRKSA-N	-1	0	266.257	0.560	20	30		CCEDRM
Cc1nnc2n1C[C@@H](NC(=O)[C@@](C)(C#N)CC(=O)[O-])CC2	ZINC000821224998	598226178	/nfs/dbraw/zinc/22/61/78/598226178.db2.gz	PONRNPQVPHIJAC-TVQRCGJNSA-N	-1	0	291.311	0.022	20	30		CCEDRM
C[C@@H]1CN(C(=O)[C@@](C)(C#N)CC(=O)[O-])CCCO1	ZINC000820245555	598226649	/nfs/dbraw/zinc/22/66/49/598226649.db2.gz	OHIKKEAXSCNPQA-BXKDBHETSA-N	-1	0	254.286	0.628	20	30		CCEDRM
C[C@](C#N)(CC(=O)[O-])C(=O)N1CCO[C@H]([C@H]2CCCO2)C1	ZINC000819823665	598229973	/nfs/dbraw/zinc/22/99/73/598229973.db2.gz	VKNHGIRINKEUHS-UHIISALHSA-N	-1	0	296.323	0.397	20	30		CCEDRM
C#CCO[N-]C(=O)[C@H](O)Cc1ccccc1Cl	ZINC000812783315	612992855	/nfs/dbraw/zinc/99/28/55/612992855.db2.gz	JKSDUWLORXRKKH-LLVKDONJSA-N	-1	0	253.685	0.924	20	30		CCEDRM
C#CCO[C@@H](C)C(=O)[N-]S(=O)(=O)c1cn(C(C)C)cn1	ZINC000835248350	612996988	/nfs/dbraw/zinc/99/69/88/612996988.db2.gz	HALXTEGEZLOZPE-JTQLQIEISA-N	-1	0	299.352	0.307	20	30		CCEDRM
C#CCO[C@@H](C)C(=O)N[C@@H](C(=O)[O-])c1cccc(O)c1	ZINC000911443532	612997001	/nfs/dbraw/zinc/99/70/01/612997001.db2.gz	KRXKIKRYXACBJN-JOYOIKCWSA-N	-1	0	277.276	0.672	20	30		CCEDRM
C#CCO[C@H](C)C(=O)N(CCC(=O)[O-])CC1CC1	ZINC000908874693	612999005	/nfs/dbraw/zinc/99/90/05/612999005.db2.gz	AUULJUABTMXHJQ-SNVBAGLBSA-N	-1	0	253.298	0.738	20	30		CCEDRM
C#CCO[C@H](C)C(=O)NC[C@@H]1[C@H](C(=O)[O-])C1(F)F	ZINC000910484531	613001626	/nfs/dbraw/zinc/00/16/26/613001626.db2.gz	APFHUTRNLAUKIH-BWZBUEFSSA-N	-1	0	261.224	0.107	20	30		CCEDRM
Cc1nnc(N2CCO[C@H](C(=O)[O-])C2)c(C#N)c1C	ZINC000123155916	599959133	/nfs/dbraw/zinc/95/91/33/599959133.db2.gz	NHBIJKBPCOGXQM-JTQLQIEISA-N	-1	0	262.269	0.255	20	30		CCEDRM
C#CCNC(=O)N(C)C1CCC(NC(=O)[O-])CC1	ZINC000823455269	612946236	/nfs/dbraw/zinc/94/62/36/612946236.db2.gz	BKGYJYOLSLBBLN-UHFFFAOYSA-N	-1	0	253.302	0.840	20	30		CCEDRM
N#Cc1ccc(NC(=O)CN2CCO[C@@H](C(=O)[O-])C2)cc1	ZINC000043704539	599975288	/nfs/dbraw/zinc/97/52/88/599975288.db2.gz	QHVAMKAODMLWAP-GFCCVEGCSA-N	-1	0	289.291	0.282	20	30		CCEDRM
N#CCN(CC(=O)[O-])C(=O)Cc1ccc2c(c1)CCO2	ZINC000739079294	600409191	/nfs/dbraw/zinc/40/91/91/600409191.db2.gz	VNNMFWGZNAUYCF-UHFFFAOYSA-N	-1	0	274.276	0.601	20	30		CCEDRM
N#Cc1ccc(C(=O)Nc2cnn(CC(=O)[O-])c2)nc1	ZINC000111280845	600527787	/nfs/dbraw/zinc/52/77/87/600527787.db2.gz	ZCJHOKINPLJZMN-UHFFFAOYSA-N	-1	0	271.236	0.487	20	30		CCEDRM
O=C([O-])c1cc(S(=O)(=O)OCC(F)(F)F)c[nH]1	ZINC000740090175	600687219	/nfs/dbraw/zinc/68/72/19/600687219.db2.gz	WFTKEFHIPZRZSU-UHFFFAOYSA-N	-1	0	273.188	0.981	20	30		CCEDRM
CCC(CC)(NS(=O)(=O)c1ccc(C#N)nc1)C(=O)[O-]	ZINC000228698619	600791093	/nfs/dbraw/zinc/79/10/93/600791093.db2.gz	OXHOZDMEQIXBPT-UHFFFAOYSA-N	-1	0	297.336	0.875	20	30		CCEDRM
N#Cc1ccc(OCCNC(=O)[C@H]2C[C@H]2C(=O)[O-])cc1	ZINC000739128388	601031220	/nfs/dbraw/zinc/03/12/20/601031220.db2.gz	BPENZWRKFZNTTE-NWDGAFQWSA-N	-1	0	274.276	0.774	20	30		CCEDRM
N#CCNC(=O)COC(=O)[C@H]1CCC[C@H](C(=O)[O-])C1	ZINC000833066673	601186019	/nfs/dbraw/zinc/18/60/19/601186019.db2.gz	FXDIVJGRNFEKQB-IUCAKERBSA-N	-1	0	268.269	0.060	20	30		CCEDRM
N#CCN(CC(=O)[O-])C[C@H](O)c1ccc(F)cc1	ZINC000833067091	601227000	/nfs/dbraw/zinc/22/70/00/601227000.db2.gz	OUYUFYBBRMSHTN-NSHDSACASA-N	-1	0	252.245	0.769	20	30		CCEDRM
C[C@H]1CCCC[C@@H]1N(C)C(=O)CN(CC#N)CC(=O)[O-]	ZINC000828246062	601227357	/nfs/dbraw/zinc/22/73/57/601227357.db2.gz	QSFWZSNFEATHTJ-RYUDHWBXSA-N	-1	0	281.356	0.934	20	30		CCEDRM
N#CCN(CCc1nnnn1-c1ccccc1)CC(=O)[O-]	ZINC000833066871	601242435	/nfs/dbraw/zinc/24/24/35/601242435.db2.gz	KLDZKSRORZTWFC-UHFFFAOYSA-N	-1	0	286.295	0.115	20	30		CCEDRM
N#Cc1ccc(C(=O)N2CCO[C@@H](C(=O)[O-])C2)s1	ZINC000819095591	601282821	/nfs/dbraw/zinc/28/28/21/601282821.db2.gz	DDQBIQIAYZQQSG-MRVPVSSYSA-N	-1	0	266.278	0.545	20	30		CCEDRM
N#C[C@H]1COCCN1Cn1nc(C(=O)[O-])c2ccccc21	ZINC000833062184	601401808	/nfs/dbraw/zinc/40/18/08/601401808.db2.gz	JUCHJSUEVMBOPV-JTQLQIEISA-N	-1	0	286.291	0.916	20	30		CCEDRM
N#Cc1ccccc1OCCN1CCOC[C@@H]1C(=O)[O-]	ZINC000833077012	601560944	/nfs/dbraw/zinc/56/09/44/601560944.db2.gz	VNLOAQCVDCYZIA-GFCCVEGCSA-N	-1	0	276.292	0.722	20	30		CCEDRM
N#Cc1ccc(NC(=O)CN2CCOC[C@@H]2C(=O)[O-])cc1	ZINC000088378376	601561525	/nfs/dbraw/zinc/56/15/25/601561525.db2.gz	XPVJIVHNTNLFTL-GFCCVEGCSA-N	-1	0	289.291	0.282	20	30		CCEDRM
N#Cc1ccccc1OCC(=O)N1CC[C@@](F)(C(=O)[O-])C1	ZINC000833074772	601659671	/nfs/dbraw/zinc/65/96/71/601659671.db2.gz	BYASCYJGTFRXHN-AWEZNQCLSA-N	-1	0	292.266	0.962	20	30		CCEDRM
N#CCN(CC(=O)[O-])C(=O)Cc1cccc(F)c1F	ZINC000833066470	601680092	/nfs/dbraw/zinc/68/00/92/601680092.db2.gz	ZUZZIEKODZXWAH-UHFFFAOYSA-N	-1	0	268.219	0.944	20	30		CCEDRM
C[C@H](CC(=O)[O-])C(=O)N1CCN(C2CC2)[C@@H](C#N)C1	ZINC000827261687	602158548	/nfs/dbraw/zinc/15/85/48/602158548.db2.gz	ADLCHDOUEOLMEG-KOLCDFICSA-N	-1	0	265.313	0.296	20	30		CCEDRM
Cn1c(=O)[nH]cc(C(=O)C=Cc2c[nH]c(C(=O)[O-])c2)c1=O	ZINC000833037548	602300234	/nfs/dbraw/zinc/30/02/34/602300234.db2.gz	DZCMNMHKTBLCIG-NSCUHMNNSA-N	-1	0	289.247	0.408	20	30		CCEDRM
N#CCN(CC(=O)[O-])C(=O)c1cnn(-c2cccnc2)c1	ZINC000833066234	602305543	/nfs/dbraw/zinc/30/55/43/602305543.db2.gz	RAGIWILZYCHZAT-UHFFFAOYSA-N	-1	0	285.263	0.318	20	30		CCEDRM
COc1cc(C=NN2CCOC2=O)ccc1OCC(=O)[O-]	ZINC000863162313	617179382	/nfs/dbraw/zinc/17/93/82/617179382.db2.gz	CYPMWJCEAVEEQD-UHFFFAOYSA-N	-1	0	294.263	0.945	20	30		CCEDRM
COc1cc2c(c(C=Nn3c(=O)[n-][nH]c3=O)c1)O[C@H](C)C2	ZINC000814231369	617179537	/nfs/dbraw/zinc/17/95/37/617179537.db2.gz	DTSULSCPLGWFDB-SSDOTTSWSA-N	-1	0	290.279	0.904	20	30		CCEDRM
COc1cc(C=Nn2c(=O)[n-][nH]c2=O)cc(OC)c1O	ZINC000814232838	617179696	/nfs/dbraw/zinc/17/96/96/617179696.db2.gz	ODZWIAYRLREAND-UHFFFAOYSA-N	-1	0	280.240	0.294	20	30		CCEDRM
C#CC[C@@H](CO)NC(=O)c1ccc(C(=O)[O-])c(C)n1	ZINC000911395196	613028825	/nfs/dbraw/zinc/02/88/25/613028825.db2.gz	NTQBNCJVFNUXME-VIFPVBQESA-N	-1	0	262.265	0.202	20	30		CCEDRM
C#CCNC(=O)[C@H](C)OC(=O)[C@@]1(C)CCN(C(=O)[O-])C1	ZINC000823455274	612951168	/nfs/dbraw/zinc/95/11/68/612951168.db2.gz	BLHMUBMTWFDLSP-ZANVPECISA-N	-1	0	282.296	0.058	20	30		CCEDRM
C#CCNC(=O)[C@H](C)OC(=O)[C@H]1CCC[C@@H]1NC(=O)[O-]	ZINC000823456919	612951280	/nfs/dbraw/zinc/95/12/80/612951280.db2.gz	SBOCPSBWNDIAFQ-GUBZILKMSA-N	-1	0	282.296	0.104	20	30		CCEDRM
N#C[C@]1(NC(=O)[C@@H]2CC[C@H](NC(=O)[O-])C2)CCSC1	ZINC000831071183	603476662	/nfs/dbraw/zinc/47/66/62/603476662.db2.gz	ZUBHUMHGXUJYQO-VDDIYKPWSA-N	-1	0	283.353	0.938	20	30		CCEDRM
N#Cc1cnn(C(=O)CN(C[C@@H]2CCCO2)C(=O)[O-])c1N	ZINC000831161608	603521189	/nfs/dbraw/zinc/52/11/89/603521189.db2.gz	GMRBPORIRDPNII-VIFPVBQESA-N	-1	0	293.283	0.136	20	30		CCEDRM
N#C[C@@H]1CN(C(=O)[C@H]2CC[C@H](NC(=O)[O-])C2)CCO1	ZINC000831076573	603579148	/nfs/dbraw/zinc/57/91/48/603579148.db2.gz	PDTSICYHURYMMM-LPEHRKFASA-N	-1	0	267.285	0.174	20	30		CCEDRM
N#C[C@H]1CN(C(=O)[O-])CCN1C(=O)c1ccnc(F)c1	ZINC000831091361	603594770	/nfs/dbraw/zinc/59/47/70/603594770.db2.gz	CDZSCPKAFMMTCB-VIFPVBQESA-N	-1	0	278.243	0.549	20	30		CCEDRM
N#Cc1ccc(C(=O)N2CCN(C(=O)[O-])C[C@H]2C#N)cc1	ZINC000831123021	603600924	/nfs/dbraw/zinc/60/09/24/603600924.db2.gz	ZDOXACATNQHIKV-GFCCVEGCSA-N	-1	0	284.275	0.886	20	30		CCEDRM
N#CCN1CCN(C(=O)[C@H]2CCC[C@H]2NC(=O)[O-])CC1	ZINC000831102632	603626212	/nfs/dbraw/zinc/62/62/12/603626212.db2.gz	PKIMDVRCBYZBOQ-WDEREUQCSA-N	-1	0	280.328	0.090	20	30		CCEDRM
N#CCN1CCN(C(=O)C2CCC(NC(=O)[O-])CC2)CC1	ZINC000831102761	603627180	/nfs/dbraw/zinc/62/71/80/603627180.db2.gz	UCLOZRBTGUYJLK-UHFFFAOYSA-N	-1	0	294.355	0.481	20	30		CCEDRM
Cn1cc(C#N)cc1C(=O)O[C@H]1CCN(C(=O)[O-])C1	ZINC000830989978	603676474	/nfs/dbraw/zinc/67/64/74/603676474.db2.gz	WBPACBOIQTUIHZ-VIFPVBQESA-N	-1	0	263.253	0.806	20	30		CCEDRM
Cn1cc(C#N)cc1C(=O)OC1(C)CN(C(=O)[O-])C1	ZINC000830989204	603677617	/nfs/dbraw/zinc/67/76/17/603677617.db2.gz	LQOYQHHSLSBCEZ-UHFFFAOYSA-N	-1	0	263.253	0.806	20	30		CCEDRM
C[C@H](C#N)NC(=O)C(C)(C)N1CCN(C(=O)[O-])CC1	ZINC000823648145	603699472	/nfs/dbraw/zinc/69/94/72/603699472.db2.gz	QHVVVUDEFLJGMU-SECBINFHSA-N	-1	0	268.317	0.089	20	30		CCEDRM
C[C@@H]1CCCN(CC(=O)NCCC#N)[C@@H]1CNC(=O)[O-]	ZINC000825923906	603729639	/nfs/dbraw/zinc/72/96/39/603729639.db2.gz	AGXFCPSFMRYJDZ-GHMZBOCLSA-N	-1	0	282.344	0.384	20	30		CCEDRM
C#Cc1cccc(N(C)C(=O)[C@H]2C[C@@H](O)CN2C(=O)[O-])c1	ZINC000823466528	603747898	/nfs/dbraw/zinc/74/78/98/603747898.db2.gz	CUPQQCCNENMWSD-CHWSQXEVSA-N	-1	0	288.303	0.744	20	30		CCEDRM
C#CCNC(=O)c1ccc(N(C)[C@H](CC)C(=O)[O-])nc1	ZINC000844929368	612951949	/nfs/dbraw/zinc/95/19/49/612951949.db2.gz	IDAKQSWLBFJBEV-LLVKDONJSA-N	-1	0	275.308	0.744	20	30		CCEDRM
C[C@@H](NC(=O)C(=O)Nc1cccc(C#N)c1)C(=O)[O-]	ZINC000818022745	617182822	/nfs/dbraw/zinc/18/28/22/617182822.db2.gz	NUBLTNIWMYRRCY-SSDOTTSWSA-N	-1	0	261.237	0.086	20	30		CCEDRM
N#CC1(NC(=O)[C@H]2CC[C@H](NC(=O)[O-])C2)CCC1	ZINC000831071014	603960461	/nfs/dbraw/zinc/96/04/61/603960461.db2.gz	WVIKEZYTZIEMLH-IUCAKERBSA-N	-1	0	251.286	0.985	20	30		CCEDRM
Cc1noc(CCC(=O)N2CCN(C(=O)[O-])C[C@@H]2C#N)n1	ZINC000830920915	604069238	/nfs/dbraw/zinc/06/92/38/604069238.db2.gz	PKISLHQYYAVUOB-VIFPVBQESA-N	-1	0	293.283	0.025	20	30		CCEDRM
C[C@H](C(=O)N1CCN(C(=O)[O-])C[C@@H]1C#N)c1cccnc1	ZINC000823670308	604070687	/nfs/dbraw/zinc/07/06/87/604070687.db2.gz	UCUQBDLWUZBNFZ-JQWIXIFHSA-N	-1	0	288.307	0.899	20	30		CCEDRM
N#C[C@@H]1CN(C(=O)[O-])CCN1C(=O)CCn1cccc1	ZINC000831082575	604071218	/nfs/dbraw/zinc/07/12/18/604071218.db2.gz	OCHODCNNRXACDT-LLVKDONJSA-N	-1	0	276.296	0.593	20	30		CCEDRM
Cn1cc(/C=C/C(=O)N2CCN(C(=O)[O-])C[C@@H]2C#N)cn1	ZINC000830999670	604078459	/nfs/dbraw/zinc/07/84/59/604078459.db2.gz	LBSYRVQIGHPROI-VUDBWIFFSA-N	-1	0	289.295	0.148	20	30		CCEDRM
N#C[C@H]1CN(C(=O)[O-])CCN1C(=O)[C@H]1CC12CCOCC2	ZINC000831075672	604083332	/nfs/dbraw/zinc/08/33/32/604083332.db2.gz	BRLSEUPLSCEEFZ-WDEREUQCSA-N	-1	0	293.323	0.517	20	30		CCEDRM
N#C[C@@H]1CN(C(=O)[O-])CCN1C(=O)[C@H]1CC12CCOCC2	ZINC000831075669	604083368	/nfs/dbraw/zinc/08/33/68/604083368.db2.gz	BRLSEUPLSCEEFZ-GHMZBOCLSA-N	-1	0	293.323	0.517	20	30		CCEDRM
Cn1cc(C#N)c(NC(=O)N2CCC[C@H]2CNC(=O)[O-])n1	ZINC000830985767	604155201	/nfs/dbraw/zinc/15/52/01/604155201.db2.gz	WDFJNLYOHZBRIO-VIFPVBQESA-N	-1	0	292.299	0.556	20	30		CCEDRM
C#CCNC(=O)c1ccc(NCCN(C)C(=O)[O-])nc1	ZINC000823457383	612952422	/nfs/dbraw/zinc/95/24/22/612952422.db2.gz	YQXZMYOTIGAKNG-UHFFFAOYSA-N	-1	0	276.296	0.466	20	30		CCEDRM
C[C@@]1(C(=O)N2CCN(C(=O)[O-])C[C@@H]2C#N)CCCO1	ZINC000825650607	604221670	/nfs/dbraw/zinc/22/16/70/604221670.db2.gz	NJUQCOFVZWROGI-CABZTGNLSA-N	-1	0	267.285	0.270	20	30		CCEDRM
N#Cc1ccnc(NCCCNC(=O)[O-])c1[N+](=O)[O-]	ZINC000831156804	604442667	/nfs/dbraw/zinc/44/26/67/604442667.db2.gz	LECPEYQJPKSKTI-UHFFFAOYSA-N	-1	0	265.229	0.931	20	30		CCEDRM
C=CCNC(=O)NC(=O)CN(C)C1(C(=O)[O-])CCCC1	ZINC000380611583	604454521	/nfs/dbraw/zinc/45/45/21/604454521.db2.gz	FIJLTNCAEZBPQB-UHFFFAOYSA-N	-1	0	283.328	0.327	20	30		CCEDRM
C#CC[C@@H](NC(=O)CCc1ccnc(C)n1)C(=O)[O-]	ZINC000910050671	613039674	/nfs/dbraw/zinc/03/96/74/613039674.db2.gz	NFIGFZLYSLIPGV-LLVKDONJSA-N	-1	0	261.281	0.310	20	30		CCEDRM
N#Cc1ccccc1NC(=O)CCCC(=O)NCC(=O)[O-]	ZINC000833075081	604592548	/nfs/dbraw/zinc/59/25/48/604592548.db2.gz	LEYOBMQDTFAXJP-UHFFFAOYSA-N	-1	0	289.291	0.868	20	30		CCEDRM
Cc1cc(N(C)CCC#N)n2nc(C(=O)[O-])nc2n1	ZINC000832889385	604627675	/nfs/dbraw/zinc/62/76/75/604627675.db2.gz	ROFVRPBLXLREFX-UHFFFAOYSA-N	-1	0	260.257	0.481	20	30		CCEDRM
C[C@H](NC(=O)[O-])[C@H]1CN(C(=O)CSCC#N)CCO1	ZINC000825301831	604665394	/nfs/dbraw/zinc/66/53/94/604665394.db2.gz	MJHFZQAZNHNMTI-DTWKUNHWSA-N	-1	0	287.341	0.127	20	30		CCEDRM
N#CCCN(CCC#N)C(=O)C[C@H]1CN(C(=O)[O-])CCO1	ZINC000831097045	604742422	/nfs/dbraw/zinc/74/24/22/604742422.db2.gz	CGZDIUZYSWAERU-NSHDSACASA-N	-1	0	294.311	0.411	20	30		CCEDRM
N#Cc1ccc(OCC(=O)NCCC(=O)[O-])c(F)c1	ZINC000833071338	604762514	/nfs/dbraw/zinc/76/25/14/604762514.db2.gz	IJAKQRFQCSIWBR-UHFFFAOYSA-N	-1	0	266.228	0.667	20	30		CCEDRM
N#CCN(C(=O)[C@@H]1CN(C(=O)[O-])CCO1)C1CCCC1	ZINC000831097898	604945106	/nfs/dbraw/zinc/94/51/06/604945106.db2.gz	YEXOHGIVUYHTSD-NSHDSACASA-N	-1	0	281.312	0.660	20	30		CCEDRM
C[C@@H](CC#N)NS(=O)(=O)c1csnc1C(=O)[O-]	ZINC000833515282	605022787	/nfs/dbraw/zinc/02/27/87/605022787.db2.gz	DSBJCBGCXXWEKI-YFKPBYRVSA-N	-1	0	275.311	0.422	20	30		CCEDRM
C[C@H](C(=O)[O-])n1cccc1C=NN1CCOCC1	ZINC000833408283	605038532	/nfs/dbraw/zinc/03/85/32/605038532.db2.gz	SDHOJOZYURFDAK-SNVBAGLBSA-N	-1	0	251.286	0.800	20	30		CCEDRM
CC(C)(C#N)CNS(=O)(=O)c1ccc(C(=O)[O-])o1	ZINC000122199348	605084263	/nfs/dbraw/zinc/08/42/63/605084263.db2.gz	QVDLDYGZQMGQGC-UHFFFAOYSA-N	-1	0	272.282	0.806	20	30		CCEDRM
N#C[C@@H](OC(=O)C[C@H]1CN(C(=O)[O-])CCO1)C1CC1	ZINC000831070374	605085315	/nfs/dbraw/zinc/08/53/15/605085315.db2.gz	JRGLVUIMNXCZLB-VHSXEESVSA-N	-1	0	268.269	0.601	20	30		CCEDRM
C=C(Cl)CNC(=O)NCC1(C(=O)[O-])CCOCC1	ZINC000161197004	605087434	/nfs/dbraw/zinc/08/74/34/605087434.db2.gz	RVXGIPILJHHUSB-UHFFFAOYSA-N	-1	0	276.720	0.920	20	30		CCEDRM
C=CCNC(=O)CNC(=O)NCC1(C(=O)[O-])CCCC1	ZINC000393829750	605213542	/nfs/dbraw/zinc/21/35/42/605213542.db2.gz	XIZDTHJIXDYLOY-UHFFFAOYSA-N	-1	0	283.328	0.233	20	30		CCEDRM
N#CCN1CCC(OC(=O)[C@@H]2CCCN(C(=O)[O-])C2)CC1	ZINC000831102723	605269762	/nfs/dbraw/zinc/26/97/62/605269762.db2.gz	RWKMOBFSDRHONO-LLVKDONJSA-N	-1	0	295.339	0.908	20	30		CCEDRM
N#CCCCNC(=O)N1CCC[C@H]1CNC(=O)[O-]	ZINC000833969155	605423235	/nfs/dbraw/zinc/42/32/35/605423235.db2.gz	RWSZAXBBRGWQDF-VIFPVBQESA-N	-1	0	254.290	0.732	20	30		CCEDRM
N#Cc1ccc(COC(=O)[C@@H](CC(N)=O)NC(=O)[O-])cc1	ZINC000833972258	605416794	/nfs/dbraw/zinc/41/67/94/605416794.db2.gz	XQGCZYNSKOXXKA-SNVBAGLBSA-N	-1	0	291.263	0.113	20	30		CCEDRM
C[C@@H](NC(=O)[O-])[C@@H]1CCN(C(=O)NCCCC#N)C1	ZINC000833814235	605418249	/nfs/dbraw/zinc/41/82/49/605418249.db2.gz	DIDIBPWNYMBCNL-NXEZZACHSA-N	-1	0	268.317	0.978	20	30		CCEDRM
N#C[C@@H]1COCCN1CCC1CCN(C(=O)[O-])CC1	ZINC000833968493	605605445	/nfs/dbraw/zinc/60/54/45/605605445.db2.gz	VSNUMEMATXEQSP-GFCCVEGCSA-N	-1	0	267.329	0.991	20	30		CCEDRM
N#C[C@H](NC(=O)C[C@H]1CSCCN1C(=O)[O-])C1CC1	ZINC000831070356	605646444	/nfs/dbraw/zinc/64/64/44/605646444.db2.gz	JOUQDHNVWILGII-UWVGGRQHSA-N	-1	0	283.353	0.890	20	30		CCEDRM
N#Cc1cc(COC(=O)[C@H]2C[C@H](O)CN2C(=O)[O-])ccn1	ZINC000833970965	605653067	/nfs/dbraw/zinc/65/30/67/605653067.db2.gz	ZGFYWXZVAJRSRM-WDEREUQCSA-N	-1	0	291.263	0.110	20	30		CCEDRM
N#Cc1cc(COC(=O)CC2CN(C(=O)[O-])C2)ccn1	ZINC000833969437	605653114	/nfs/dbraw/zinc/65/31/14/605653114.db2.gz	AUXSXYSKXBGOTR-UHFFFAOYSA-N	-1	0	275.264	0.996	20	30		CCEDRM
N#CCNC(=O)[C@@H]1c2ccccc2CCN1C(=O)[O-]	ZINC000831102592	605682047	/nfs/dbraw/zinc/68/20/47/605682047.db2.gz	OELAKBNSOQQBHK-NSHDSACASA-N	-1	0	259.265	0.904	20	30		CCEDRM
Cc1onc(CC(=O)N(C)[C@H]2CCN(C(=O)[O-])C2)c1C#N	ZINC000833936730	605697978	/nfs/dbraw/zinc/69/79/78/605697978.db2.gz	PZYUJUSTTUVHOX-VIFPVBQESA-N	-1	0	292.295	0.608	20	30		CCEDRM
Cc1onc(CC(=O)N2CCN(C(=O)[O-])C[C@H]2C)c1C#N	ZINC000833934769	605699331	/nfs/dbraw/zinc/69/93/31/605699331.db2.gz	BJNGPEFOBNXXBL-MRVPVSSYSA-N	-1	0	292.295	0.608	20	30		CCEDRM
N#CCCNC(=O)CN(C1CC1)[C@@H]1CCN(C(=O)[O-])C1	ZINC000833965516	605774845	/nfs/dbraw/zinc/77/48/45/605774845.db2.gz	MWMOOSLSAHRLBB-LLVKDONJSA-N	-1	0	280.328	0.233	20	30		CCEDRM
Cc1nnc(CN[C@@H]2CN(C(=O)[O-])C[C@@H]2C#N)s1	ZINC000833927485	605810005	/nfs/dbraw/zinc/81/00/05/605810005.db2.gz	SYDFEIGXAPODFZ-JGVFFNPUSA-N	-1	0	267.314	0.438	20	30		CCEDRM
N#Cc1ccc([C@@H](O)C(=O)N2CC[C@@H](NC(=O)[O-])C2)cc1	ZINC000833972389	605847251	/nfs/dbraw/zinc/84/72/51/605847251.db2.gz	COOVQHCCSGMACO-VXGBXAGGSA-N	-1	0	289.291	0.460	20	30		CCEDRM
C[C@@H]1CN(C(=O)c2ccc(C#N)[nH]2)CCN1C(=O)[O-]	ZINC000833838851	605872440	/nfs/dbraw/zinc/87/24/40/605872440.db2.gz	XUTTXXZUIHZDHD-MRVPVSSYSA-N	-1	0	262.269	0.711	20	30		CCEDRM
N#C[C@]1(NC(=O)CN(C(=O)[O-])C2CC2)CCSC1	ZINC000833963436	605976553	/nfs/dbraw/zinc/97/65/53/605976553.db2.gz	MKICGHJSKZJXLW-LLVKDONJSA-N	-1	0	269.326	0.644	20	30		CCEDRM
N#C[C@H](OC(=O)CNC(=O)CNC(=O)[O-])C1CCCCC1	ZINC000833964334	606019149	/nfs/dbraw/zinc/01/91/49/606019149.db2.gz	GKKGJVFJVROZMJ-JTQLQIEISA-N	-1	0	297.311	0.386	20	30		CCEDRM
O=C([O-])N[C@H]1CCCC1=NNC1CCS(=O)(=O)CC1	ZINC000834170578	606080225	/nfs/dbraw/zinc/08/02/25/606080225.db2.gz	UTQASXVTLAUBMF-VIFPVBQESA-N	-1	0	289.357	0.329	20	30		CCEDRM
N#Cc1cc(C(=O)NC[C@@H](NC(=O)[O-])C2CC2)c[nH]1	ZINC000833970836	606089562	/nfs/dbraw/zinc/08/95/62/606089562.db2.gz	UMMKZLHSMITLRA-SNVBAGLBSA-N	-1	0	262.269	0.662	20	30		CCEDRM
N#C[C@@H]1CSCCN1C(=O)CCOC1CN(C(=O)[O-])C1	ZINC000833967437	606101141	/nfs/dbraw/zinc/10/11/41/606101141.db2.gz	RARXWWJDGFWTCX-SECBINFHSA-N	-1	0	299.352	0.223	20	30		CCEDRM
C#CCCOC(=O)c1ccc([N-]S(C)(=O)=O)nc1	ZINC000859924690	613050922	/nfs/dbraw/zinc/05/09/22/613050922.db2.gz	WQGJNOLCQMSUSG-UHFFFAOYSA-N	-1	0	268.294	0.633	20	30		CCEDRM
C#CCCS(=O)(=O)[N-]C(=O)Cc1ccc([N+](=O)[O-])cc1	ZINC000810779868	613052949	/nfs/dbraw/zinc/05/29/49/613052949.db2.gz	DRLQBAMUHUZASR-UHFFFAOYSA-N	-1	0	296.304	0.607	20	30		CCEDRM
C#CCCS(=O)(=O)[N-]C(=O)[C@@H]1CCOC[C@H]1C	ZINC000810780083	613053227	/nfs/dbraw/zinc/05/32/27/613053227.db2.gz	MPDIYFLWXJQBMD-NXEZZACHSA-N	-1	0	259.327	0.128	20	30		CCEDRM
C#CC[C@H](CO)NC(=O)c1cccc([N+](=O)[O-])c1[O-]	ZINC000816674139	613057811	/nfs/dbraw/zinc/05/78/11/613057811.db2.gz	RSMSBPNXZCANKT-MRVPVSSYSA-N	-1	0	264.237	0.414	20	30		CCEDRM
C#CCC[C@@H](O)CNS(=O)(=O)c1cc([O-])cc(F)c1	ZINC000867227282	613059632	/nfs/dbraw/zinc/05/96/32/613059632.db2.gz	ZKNWTSJGPNGBSP-SNVBAGLBSA-N	-1	0	287.312	0.584	20	30		CCEDRM
C#CCN(CC#C)C(=O)[C@@H]1CCC[C@H](NC(=O)[O-])C1	ZINC000823450556	613098902	/nfs/dbraw/zinc/09/89/02/613098902.db2.gz	DDRAQWFTPVTDPV-NEPJUHHUSA-N	-1	0	262.309	0.908	20	30		CCEDRM
C#C[C@@H]1COCCN1C(=O)NC[C@H](C(=O)[O-])C1CCC1	ZINC000854234658	613110005	/nfs/dbraw/zinc/11/00/05/613110005.db2.gz	HEVNNDKNIXNSMU-NEPJUHHUSA-N	-1	0	280.324	0.531	20	30		CCEDRM
CS/C=C/C(=O)N1CCN(C(=O)[O-])C[C@H]1C#N	ZINC000829716181	617199524	/nfs/dbraw/zinc/19/95/24/617199524.db2.gz	DVRUNTNQQSBNFW-IBDUZEINSA-N	-1	0	255.299	0.577	20	30		CCEDRM
C=CC1(S(=O)(=O)[N-]C(=O)COCC(F)F)CC1	ZINC000870839382	613450367	/nfs/dbraw/zinc/45/03/67/613450367.db2.gz	JQLDRGKQUQXDSB-UHFFFAOYSA-N	-1	0	269.269	0.433	20	30		CCEDRM
C=CCOC[C@@H](NC(=O)[C@](C)(C#N)CC)C(=O)[O-]	ZINC000923078378	613881945	/nfs/dbraw/zinc/88/19/45/613881945.db2.gz	GNBNREBOJUZJNT-SKDRFNHKSA-N	-1	0	254.286	0.698	20	30		CCEDRM
C#CCCCCC(=O)Nc1n[nH]c(CC(=O)[O-])n1	ZINC000833362878	612976076	/nfs/dbraw/zinc/97/60/76/612976076.db2.gz	OKBZZNRZGVWDKA-UHFFFAOYSA-N	-1	0	250.258	0.564	20	30		CCEDRM
CC(C)[C@](C)(O)CNC(=O)[C@@](C)(C#N)CC(=O)[O-]	ZINC000819955381	614289614	/nfs/dbraw/zinc/28/96/14/614289614.db2.gz	WXZQMHGKSYGNCW-VXGBXAGGSA-N	-1	0	256.302	0.514	20	30		CCEDRM
CC(C)(C(=O)[N-]OCC(N)=O)c1ccc(C#N)cc1	ZINC000860580997	614299379	/nfs/dbraw/zinc/29/93/79/614299379.db2.gz	MFKQULYJFGCFGE-UHFFFAOYSA-N	-1	0	261.281	0.369	20	30		CCEDRM
C#CCOCCC(=O)N[C@H](Cc1ccccc1)C(=O)[O-]	ZINC000819706312	612980902	/nfs/dbraw/zinc/98/09/02/612980902.db2.gz	WASDFELXPFGKKW-CYBMUJFWSA-N	-1	0	275.304	0.838	20	30		CCEDRM
COc1ccc(C(=O)[O-])cc1C=NN[C@@H](C)CO	ZINC000901194382	617235422	/nfs/dbraw/zinc/23/54/22/617235422.db2.gz	KSCRTRVJQWNRIO-QMMMGPOBSA-N	-1	0	252.270	0.698	20	30		CCEDRM
CSC[C@H](NC(=O)[C@]1(C#N)CCCOC1)C(=O)[O-]	ZINC000923104695	617255338	/nfs/dbraw/zinc/25/53/38/617255338.db2.gz	SBOQPKBZADDCEM-KWQFWETISA-N	-1	0	272.326	0.239	20	30		CCEDRM
COc1ccc2c(c1OC)OCC2=NNCC(=O)[O-]	ZINC000814958613	617286908	/nfs/dbraw/zinc/28/69/08/617286908.db2.gz	GBNXVERQENPDJS-UHFFFAOYSA-N	-1	0	266.253	0.475	20	30		CCEDRM
C#CCCCCNC(=O)C(=O)N1CC[C@@H](C)[C@H](C(=O)[O-])C1	ZINC000843257197	612977113	/nfs/dbraw/zinc/97/71/13/612977113.db2.gz	MALFRUKLBLWHJY-VXGBXAGGSA-N	-1	0	294.351	0.475	20	30		CCEDRM
C#CCCCCNC(=O)C(=O)Nc1cc(C(=O)[O-])n(C)c1	ZINC000833361837	612977221	/nfs/dbraw/zinc/97/72/21/612977221.db2.gz	OAROVNIPSTTYOX-UHFFFAOYSA-N	-1	0	291.307	0.582	20	30		CCEDRM
C#CCCCCNC(=O)N1CCC([C@H](O)C(=O)[O-])CC1	ZINC000833361798	612977503	/nfs/dbraw/zinc/97/75/03/612977503.db2.gz	MGRUGQQAPGOZFJ-LBPRGKRZSA-N	-1	0	282.340	0.657	20	30		CCEDRM
C#CCOCCC(=O)[N-]S(=O)(=O)C1(CC)CC1	ZINC000835534218	612980208	/nfs/dbraw/zinc/98/02/08/612980208.db2.gz	URPVTDZDFZEIQZ-UHFFFAOYSA-N	-1	0	259.327	0.415	20	30		CCEDRM
C#CCCCNC(=O)N1C[C@@H](C(=O)OC)CC[C@@H]1C(=O)[O-]	ZINC000909028486	612981746	/nfs/dbraw/zinc/98/17/46/612981746.db2.gz	SDQZHPFMVVZVJH-WDEREUQCSA-N	-1	0	296.323	0.448	20	30		CCEDRM
C#CCCCNC(=O)N[C@@H](CNC(=O)[O-])C1CC1	ZINC000823445253	612982038	/nfs/dbraw/zinc/98/20/38/612982038.db2.gz	WVHPOTQWXFIWIR-JTQLQIEISA-N	-1	0	253.302	0.745	20	30		CCEDRM
C#CCOCCNS(=O)(=O)c1cc(C(=O)[O-])cs1	ZINC000833366366	612989614	/nfs/dbraw/zinc/98/96/14/612989614.db2.gz	TWSPNGIQVFXGDR-UHFFFAOYSA-N	-1	0	289.334	0.374	20	30		CCEDRM
C#CCO[N-]C(=O)Cn1c2ccccc2n(C)c1=O	ZINC000812782607	612992427	/nfs/dbraw/zinc/99/24/27/612992427.db2.gz	ADTGUJKTSUKNEC-UHFFFAOYSA-N	-1	0	259.265	0.021	20	30		CCEDRM
C#CCONC(=O)c1ccc(C[N-]C(=O)C(F)(F)F)o1	ZINC000862183506	612993439	/nfs/dbraw/zinc/99/34/39/612993439.db2.gz	CAEKGFGGPYGWCF-UHFFFAOYSA-N	-1	0	290.197	0.753	20	30		CCEDRM
C#CCO[C@@H](C)C(=O)N1CCc2occc2[C@H]1C(=O)[O-]	ZINC000910206370	612995600	/nfs/dbraw/zinc/99/56/00/612995600.db2.gz	RSOKFBCAIQHELO-CABZTGNLSA-N	-1	0	277.276	0.828	20	30		CCEDRM
C#CCO[C@H](C)C(=O)NCc1ccc(CC(=O)[O-])cc1	ZINC000910194301	613001793	/nfs/dbraw/zinc/00/17/93/613001793.db2.gz	FGBRSNFHMRQPIH-LLVKDONJSA-N	-1	0	275.304	0.968	20	30		CCEDRM
C#CCO[C@H](C)C(=O)N[C@@H]1C[C@@H]2C[C@H](C(=O)[O-])C[C@H]12	ZINC000907959322	613002775	/nfs/dbraw/zinc/00/27/75/613002775.db2.gz	NVGAOPWBWHPHPE-WTPMCQDGSA-N	-1	0	265.309	0.640	20	30		CCEDRM
C#CCOc1ccccc1CN1CCO[C@H](C(=O)[O-])C1	ZINC000819706218	613007660	/nfs/dbraw/zinc/00/76/60/613007660.db2.gz	RDPGQBAKGGFTER-AWEZNQCLSA-N	-1	0	275.304	0.984	20	30		CCEDRM
C#CCCN1CCN(C(=O)[C@@H](C)CN(C)C(=O)[O-])CC1	ZINC000823444009	613009826	/nfs/dbraw/zinc/00/98/26/613009826.db2.gz	AWDKTPXOUXLHAZ-LBPRGKRZSA-N	-1	0	281.356	0.400	20	30		CCEDRM
C#CC[C@@H](CO)NC(=O)c1s[n-]c(=O)c1Cl	ZINC000854540700	613029958	/nfs/dbraw/zinc/02/99/58/613029958.db2.gz	BLLPKCGAACKEFU-YFKPBYRVSA-N	-1	0	260.702	0.616	20	30		CCEDRM
C#CC[C@@H](NC(=O)C[C@](C)(O)c1ccccc1)C(=O)[O-]	ZINC000910049914	613040134	/nfs/dbraw/zinc/04/01/34/613040134.db2.gz	ABPPYDDZRJRLIK-DOMZBBRYSA-N	-1	0	275.304	0.877	20	30		CCEDRM
C#CC[C@@H](NC(=O)Cc1c(OC)cccc1OC)C(=O)[O-]	ZINC000910054699	613040295	/nfs/dbraw/zinc/04/02/95/613040295.db2.gz	RWQMKDJZZQAYFD-LLVKDONJSA-N	-1	0	291.303	0.839	20	30		CCEDRM
C#CC[C@@H](NC(=O)Cc1nc(C)sc1C)C(=O)[O-]	ZINC000910052115	613040308	/nfs/dbraw/zinc/04/03/08/613040308.db2.gz	OMDPBJIRIAVBTR-SECBINFHSA-N	-1	0	266.322	0.895	20	30		CCEDRM
C#CC[C@@H](NC(=O)Cn1cc(C(=O)[O-])nn1)c1ccccc1	ZINC000833361149	613040324	/nfs/dbraw/zinc/04/03/24/613040324.db2.gz	XNXHMSZJFPXGOY-GFCCVEGCSA-N	-1	0	298.302	0.857	20	30		CCEDRM
C#CC[C@@H](NC(=O)c1ccc(N2CCCC2)nn1)C(=O)[O-]	ZINC000910050934	613042006	/nfs/dbraw/zinc/04/20/06/613042006.db2.gz	AUNORFHNWLKZKD-LLVKDONJSA-N	-1	0	288.307	0.283	20	30		CCEDRM
C#CC[C@@H](NC(=O)c1ccc(NC2CC2)nc1)C(=O)[O-]	ZINC000910052294	613042054	/nfs/dbraw/zinc/04/20/54/613042054.db2.gz	SOGKHXCIWSUTIW-LLVKDONJSA-N	-1	0	273.292	0.862	20	30		CCEDRM
C#CC[C@@H](NC(=O)c1ccc(OCC(F)F)nc1)C(=O)[O-]	ZINC000910047962	613042062	/nfs/dbraw/zinc/04/20/62/613042062.db2.gz	AUEJSYWGERMWRP-SECBINFHSA-N	-1	0	298.245	0.932	20	30		CCEDRM
C#CC[C@@H](NC(=O)c1sc2nccn2c1C)C(=O)[O-]	ZINC000910051689	613042419	/nfs/dbraw/zinc/04/24/19/613042419.db2.gz	YPAXFXMIWJFEJS-MRVPVSSYSA-N	-1	0	277.305	0.911	20	30		CCEDRM
C#CC[C@@H](NC(=O)c1scnc1COC)C(=O)[O-]	ZINC000910049940	613042728	/nfs/dbraw/zinc/04/27/28/613042728.db2.gz	AOURGFVCKGDTRG-SSDOTTSWSA-N	-1	0	268.294	0.496	20	30		CCEDRM
C#CCCNC(=O)N[C@H]1CCC[C@H]1CNC(=O)[O-]	ZINC000823444575	613047657	/nfs/dbraw/zinc/04/76/57/613047657.db2.gz	MYKVZNILEYZODJ-UWVGGRQHSA-N	-1	0	253.302	0.745	20	30		CCEDRM
C#CCCS(=O)(=O)[N-]C(=O)/C=C/[C@H]1CCCO1	ZINC000820894507	613052512	/nfs/dbraw/zinc/05/25/12/613052512.db2.gz	AOBYHJPKVFHOKQ-VQCYPWCPSA-N	-1	0	257.311	0.191	20	30		CCEDRM
C#CCCS(=O)(=O)[N-]C(=O)[C@H](C)NC(=O)C(C)(C)C	ZINC000810786666	613053264	/nfs/dbraw/zinc/05/32/64/613053264.db2.gz	SAFQNBYMMLGBKK-VIFPVBQESA-N	-1	0	288.369	0.007	20	30		CCEDRM
C#CCCS(=O)(=O)[N-]C(=O)c1ccc2[nH]c(=O)oc2c1	ZINC000810779313	613053587	/nfs/dbraw/zinc/05/35/87/613053587.db2.gz	HURMJGWKFCSIBT-UHFFFAOYSA-N	-1	0	294.288	0.616	20	30		CCEDRM
C#CCCS(=O)(=O)[N-]C(=O)c1cn(C(C)C)nc1C	ZINC000847698481	613053737	/nfs/dbraw/zinc/05/37/37/613053737.db2.gz	AYCLKIODCLEAON-UHFFFAOYSA-N	-1	0	283.353	0.855	20	30		CCEDRM
C#CCCS(=O)(=O)[N-]C(=O)c1ccnc(OC(C)C)c1	ZINC000810782348	613053824	/nfs/dbraw/zinc/05/38/24/613053824.db2.gz	NHSNZXCXKCEFJS-UHFFFAOYSA-N	-1	0	296.348	0.952	20	30		CCEDRM
C#CC[C@H](CO)NC(=O)c1ccc(OCC(=O)[O-])cc1	ZINC000911395115	613057691	/nfs/dbraw/zinc/05/76/91/613057691.db2.gz	LLYIQMPBBYTVHD-LLVKDONJSA-N	-1	0	277.276	0.264	20	30		CCEDRM
C#CCC[C@@H](O)CNC(=O)c1ccc([N+](=O)[O-])cc1[O-]	ZINC000799069704	613058913	/nfs/dbraw/zinc/05/89/13/613058913.db2.gz	ANLUTZVKSQJVRY-SNVBAGLBSA-N	-1	0	278.264	0.805	20	30		CCEDRM
C#CC[C@H](NC(=O)C1(c2ccccn2)CC1)C(=O)[O-]	ZINC000910047913	613067591	/nfs/dbraw/zinc/06/75/91/613067591.db2.gz	ACRZZABSAWOCNJ-JTQLQIEISA-N	-1	0	258.277	0.706	20	30		CCEDRM
C#CC[C@H](NC(=O)Cc1cn2cccc(C)c2n1)C(=O)[O-]	ZINC000910051155	613068218	/nfs/dbraw/zinc/06/82/18/613068218.db2.gz	FURCAJRNRUGUQA-LBPRGKRZSA-N	-1	0	285.303	0.778	20	30		CCEDRM
C#CC[C@H](NC(=O)[C@@H]1CCc2n[nH]cc2C1)C(=O)[O-]	ZINC000910050124	613068988	/nfs/dbraw/zinc/06/89/88/613068988.db2.gz	FQTKTNPKISJDTN-KCJUWKMLSA-N	-1	0	261.281	0.107	20	30		CCEDRM
C#CC[C@H](NC(=O)[C@@H]1COCCN1C1CCCC1)C(=O)[O-]	ZINC000910049522	613069076	/nfs/dbraw/zinc/06/90/76/613069076.db2.gz	WKARYIMDRJAJJS-STQMWFEESA-N	-1	0	294.351	0.223	20	30		CCEDRM
C#CC[C@H](NC(=O)c1c(CC)nn(C)c1Cl)C(=O)[O-]	ZINC000910046566	613069922	/nfs/dbraw/zinc/06/99/22/613069922.db2.gz	SGUOWLFSPXKHTC-QMMMGPOBSA-N	-1	0	283.715	0.842	20	30		CCEDRM
C#CC[C@H](NC(=O)c1c(C(F)(F)F)cnn1C)C(=O)[O-]	ZINC000910045332	613069924	/nfs/dbraw/zinc/06/99/24/613069924.db2.gz	BECOFTDCCXUTHW-ZETCQYMHSA-N	-1	0	289.213	0.645	20	30		CCEDRM
C#CC[C@H](NC(=O)c1cccc(OCC(F)F)n1)C(=O)[O-]	ZINC000910048174	613070404	/nfs/dbraw/zinc/07/04/04/613070404.db2.gz	GHFFBTUYEMAVFU-VIFPVBQESA-N	-1	0	298.245	0.932	20	30		CCEDRM
C#CC[C@H](NC(=O)c1cn(CC)nc1C1CC1)C(=O)[O-]	ZINC000910048579	613070449	/nfs/dbraw/zinc/07/04/49/613070449.db2.gz	MUBDEEGLCLTAAN-NSHDSACASA-N	-1	0	275.308	0.987	20	30		CCEDRM
C#CC[C@H](OC(=O)[C@@H]1CN(C(=O)[O-])CCO1)C1CC1	ZINC000823440892	613071475	/nfs/dbraw/zinc/07/14/75/613071475.db2.gz	LYODVEQIVLVJEZ-QWRGUYRKSA-N	-1	0	267.281	0.710	20	30		CCEDRM
C#C[C@@H](C)NS(=O)(=O)c1cc(CC(=O)[O-])ccc1OC	ZINC000871951336	613082219	/nfs/dbraw/zinc/08/22/19/613082219.db2.gz	LRTQQHPIXPWMBZ-SECBINFHSA-N	-1	0	297.332	0.622	20	30		CCEDRM
C#C[C@@H](CC)NS(=O)(=O)N=S1(=O)CCCC1	ZINC000867198789	613084640	/nfs/dbraw/zinc/08/46/40/613084640.db2.gz	QZHZMLVKCQWKEF-VIFPVBQESA-N	-1	0	264.372	0.494	20	30		CCEDRM
C#C[C@@H](NC(=O)N[C@H]1CC[C@@H](C(=O)[O-])C1)[C@H]1CCCO1	ZINC000831038908	613097603	/nfs/dbraw/zinc/09/76/03/613097603.db2.gz	MTFGAAINRITOLR-WRWGMCAJSA-N	-1	0	280.324	0.720	20	30		CCEDRM
C#CCN(CC#CC)C(=O)NCC(C)(C)NC(=O)[O-]	ZINC000823451416	613099825	/nfs/dbraw/zinc/09/98/25/613099825.db2.gz	ULAOZHSVGOVGKJ-UHFFFAOYSA-N	-1	0	265.313	0.701	20	30		CCEDRM
C#C[C@@H]1CCCN(C(=O)CCCn2c(=O)[n-][nH]c2=O)C1	ZINC000912048947	613103613	/nfs/dbraw/zinc/10/36/13/613103613.db2.gz	SBRQZNOCMQXLNK-SNVBAGLBSA-N	-1	0	278.312	0.341	20	30		CCEDRM
C#C[C@H](CO)NC(=O)C12CCC(C(=O)[O-])(CC1)C2	ZINC000911612819	613124648	/nfs/dbraw/zinc/12/46/48/613124648.db2.gz	WOKMBNNLQGNONK-UHEGKEBESA-N	-1	0	251.282	0.132	20	30		CCEDRM
C#C[C@H](NC(=O)C1(C(=O)[O-])CCCC1)[C@H]1CCCO1	ZINC000911580791	613132428	/nfs/dbraw/zinc/13/24/28/613132428.db2.gz	UFBQABWMXMPQRU-WDEREUQCSA-N	-1	0	265.309	0.928	20	30		CCEDRM
C#C[C@H](NC(=O)N=c1nn[n-]n1CC)C(C)(C)C	ZINC000888325646	613138804	/nfs/dbraw/zinc/13/88/04/613138804.db2.gz	RPCZEZNPQPGWJM-QMMMGPOBSA-N	-1	0	250.306	0.284	20	30		CCEDRM
C#C[C@H](NC(=O)NC[C@@H](C)C(=O)[O-])[C@H]1CCCO1	ZINC000848583302	613140175	/nfs/dbraw/zinc/14/01/75/613140175.db2.gz	WTNRFOBDVPKVKS-KXUCPTDWSA-N	-1	0	254.286	0.187	20	30		CCEDRM
C#C[C@H](NC(=O)N[C@H]1C[C@@H](C(=O)[O-])C1)[C@@H]1CCCO1	ZINC000874399293	613143761	/nfs/dbraw/zinc/14/37/61/613143761.db2.gz	VESYVDRNJMZPRU-VLEAKVRGSA-N	-1	0	266.297	0.330	20	30		CCEDRM
C#C[C@](C)(CC)NC(=O)[C@@H]1C[C@H](C)[C@@H](C(=O)[O-])O1	ZINC000911384492	613163949	/nfs/dbraw/zinc/16/39/49/613163949.db2.gz	AZXUALXLTGSQHO-AVWBDOJWSA-N	-1	0	253.298	0.783	20	30		CCEDRM
C#Cc1ccc(C(=O)N2CC(n3cc(C(=O)[O-])nn3)C2)nc1	ZINC000833368015	613167464	/nfs/dbraw/zinc/16/74/64/613167464.db2.gz	DBIMDJGIRUYDRB-UHFFFAOYSA-N	-1	0	297.274	0.050	20	30		CCEDRM
C#Cc1ccc(C(=O)NCC2(C(=O)[O-])CCOCC2)cn1	ZINC000833367946	613177696	/nfs/dbraw/zinc/17/76/96/613177696.db2.gz	CCBFIQRAVIVOGP-UHFFFAOYSA-N	-1	0	288.303	0.674	20	30		CCEDRM
C#CCN1CCN(C(=O)CS[C@H](C)CC(=O)[O-])CC1	ZINC000825619065	613205864	/nfs/dbraw/zinc/20/58/64/613205864.db2.gz	JUNZDSRJTUPPCN-LLVKDONJSA-N	-1	0	284.381	0.360	20	30		CCEDRM
C#Cc1cncc(C(=O)NC[C@H]2[C@@H](C(=O)[O-])C2(F)F)c1	ZINC000910488421	613218525	/nfs/dbraw/zinc/21/85/25/613218525.db2.gz	UOTNHGAPWBNGAP-UWVGGRQHSA-N	-1	0	280.230	0.759	20	30		CCEDRM
C#Cc1cncc(C(=O)N[C@@H](C(=O)[O-])[C@H]2CCCOC2)c1	ZINC000909540680	613218916	/nfs/dbraw/zinc/21/89/16/613218916.db2.gz	BXPHCULLVPSOPP-WCQYABFASA-N	-1	0	288.303	0.673	20	30		CCEDRM
C#Cc1cncc(C(=O)N[C@](C)(COC)CC(=O)[O-])c1	ZINC000909375466	613222777	/nfs/dbraw/zinc/22/27/77/613222777.db2.gz	WCFCODNEAYVAKI-AWEZNQCLSA-N	-1	0	276.292	0.673	20	30		CCEDRM
C#Cc1cncc(C(=O)N[C@]2(CC(=O)[O-])CCCOC2)c1	ZINC000909695132	613222813	/nfs/dbraw/zinc/22/28/13/613222813.db2.gz	XIUVUZHRBPVQDS-HNNXBMFYSA-N	-1	0	288.303	0.817	20	30		CCEDRM
C=C(C)C(C)(C)C(=O)[N-]S(=O)(=O)c1cnnn1C	ZINC000820725781	613244762	/nfs/dbraw/zinc/24/47/62/613244762.db2.gz	LLBFTTJXDRNFFI-UHFFFAOYSA-N	-1	0	272.330	0.222	20	30		CCEDRM
C/C(=C\CN(CCC#N)CCN1CCOCC1)C(=O)[O-]	ZINC000825729984	613260703	/nfs/dbraw/zinc/26/07/03/613260703.db2.gz	PAKPGXUSOZHWHF-QLKAYGNNSA-N	-1	0	281.356	0.565	20	30		CCEDRM
C/C(=C\c1ccccn1)C(=O)[N-]S(=O)(=O)CCC#N	ZINC000847707755	613263744	/nfs/dbraw/zinc/26/37/44/613263744.db2.gz	NVBOWBHBJARWSL-MDZDMXLPSA-N	-1	0	279.321	0.845	20	30		CCEDRM
C=C(C)CCNC(=O)CCCn1c(=O)[n-][nH]c1=O	ZINC000908930566	613281490	/nfs/dbraw/zinc/28/14/90/613281490.db2.gz	WWHYVVREIJDXIG-UHFFFAOYSA-N	-1	0	254.290	0.552	20	30		CCEDRM
C=C(C)CN(CC)C(=O)[C@@H](C)OC(=O)[C@H](C)NC(=O)[O-]	ZINC000833369466	613294010	/nfs/dbraw/zinc/29/40/10/613294010.db2.gz	ZSFQXLKDVNDBKG-VHSXEESVSA-N	-1	0	286.328	0.999	20	30		CCEDRM
C=C(C)CO[N-]C(=O)CS(=O)(=O)NC(C)(C)C	ZINC000846540270	613352447	/nfs/dbraw/zinc/35/24/47/613352447.db2.gz	YGQMZUPAUKETBT-UHFFFAOYSA-N	-1	0	264.347	0.328	20	30		CCEDRM
C=C(C)CO[N-]C(=O)CN(C)CC(=O)NC(C)C	ZINC000846539549	613352561	/nfs/dbraw/zinc/35/25/61/613352561.db2.gz	IUWPUPRYHIKLBZ-UHFFFAOYSA-N	-1	0	257.334	0.067	20	30		CCEDRM
C=C(C)CO[N-]C(=O)[C@H]1C[C@H](O)CN1c1ccncn1	ZINC000824233825	613353800	/nfs/dbraw/zinc/35/38/00/613353800.db2.gz	YVEVTLRFZGSHBH-WDEREUQCSA-N	-1	0	278.312	0.040	20	30		CCEDRM
C=C(C)CO[N-]C(=O)[C@H](NS(C)(=O)=O)C(C)(C)C	ZINC000846536405	613353868	/nfs/dbraw/zinc/35/38/68/613353868.db2.gz	JTCOTPQIANGHNG-VIFPVBQESA-N	-1	0	278.374	0.574	20	30		CCEDRM
C=C(C)CS(=O)(=O)N1Cc2cc(C(=O)[O-])nn2C[C@@H]1C	ZINC000903878840	613354130	/nfs/dbraw/zinc/35/41/30/613354130.db2.gz	LINURXMDSYVNBT-VIFPVBQESA-N	-1	0	299.352	0.691	20	30		CCEDRM
C=C(C)C[C@@H](NC(=O)Cc1cn(C)nc1C)C(=O)[O-]	ZINC000910292592	613355869	/nfs/dbraw/zinc/35/58/69/613355869.db2.gz	ROERVGJAXABEDJ-LLVKDONJSA-N	-1	0	265.313	0.807	20	30		CCEDRM
C=C(C)C[C@@H](NC(=O)[C@@H]1CSCN1C(C)=O)C(=O)[O-]	ZINC000864187414	613356041	/nfs/dbraw/zinc/35/60/41/613356041.db2.gz	KNALXBQOIZYWIU-ZJUUUORDSA-N	-1	0	286.353	0.443	20	30		CCEDRM
C=C(C)C[C@@H](NC(=O)[C@H]1CCc2nnc(C)n2C1)C(=O)[O-]	ZINC000910288642	613356150	/nfs/dbraw/zinc/35/61/50/613356150.db2.gz	ZBCDXKHSQHVHDC-WDEREUQCSA-N	-1	0	292.339	0.685	20	30		CCEDRM
C=C(C)C[C@@H](NC(C)=O)C(=O)[N-]S(=O)(=O)C1CCC1	ZINC000850989175	613356468	/nfs/dbraw/zinc/35/64/68/613356468.db2.gz	KMXCCJKRDDLADJ-LLVKDONJSA-N	-1	0	288.369	0.456	20	30		CCEDRM
C=C(C)C[C@H](NC(=O)/C=C/c1cn(C)cn1)C(=O)[O-]	ZINC000923105674	613358544	/nfs/dbraw/zinc/35/85/44/613358544.db2.gz	VMAKFTKSKNETNP-ZWNMCFTASA-N	-1	0	263.297	0.969	20	30		CCEDRM
C=C(C)C[C@H](NC(=O)c1cc(COC)on1)C(=O)[O-]	ZINC000864188893	613359096	/nfs/dbraw/zinc/35/90/96/613359096.db2.gz	XDKLZDXOQSVXLW-JTQLQIEISA-N	-1	0	268.269	0.970	20	30		CCEDRM
C=C(C)C[C@H](NC(=O)c1nnn(C)c1C)C(=O)[O-]	ZINC000910291249	613359174	/nfs/dbraw/zinc/35/91/74/613359174.db2.gz	HPOOEVBWSMQACF-QMMMGPOBSA-N	-1	0	252.274	0.273	20	30		CCEDRM
C=C(C)C[C@H](NC(=O)c1nn(CC)nc1C)C(=O)[O-]	ZINC000910293461	613359200	/nfs/dbraw/zinc/35/92/00/613359200.db2.gz	ZHRQVIFRYCBYAB-VIFPVBQESA-N	-1	0	266.301	0.756	20	30		CCEDRM
C=C(C)[C@@H](CC(=O)NCCCc1c[nH][nH]c1=O)OCC	ZINC000898736234	613360244	/nfs/dbraw/zinc/36/02/44/613360244.db2.gz	BXSLSOBXNKRGHR-VXGBXAGGSA-N	-1	0	281.356	0.986	20	30		CCEDRM
C=C(C)[C@H](CC(=O)N1CCC[C@@H](O)[C@@H]1C(=O)[O-])OCC	ZINC000911637692	613362095	/nfs/dbraw/zinc/36/20/95/613362095.db2.gz	QRYNMLMBQRFBSW-NTZNESFSSA-N	-1	0	285.340	0.794	20	30		CCEDRM
C=C(Cl)C[C@@H](NC(=O)c1cnnn1CC)C(=O)[O-]	ZINC000910266097	613388655	/nfs/dbraw/zinc/38/86/55/613388655.db2.gz	JNXNWJATZGHWMZ-SSDOTTSWSA-N	-1	0	272.692	0.624	20	30		CCEDRM
C=C(Cl)C[C@H](NC(=O)COCCOCC)C(=O)[O-]	ZINC000864184948	613390544	/nfs/dbraw/zinc/39/05/44/613390544.db2.gz	UKJQGUFVIHTYAZ-VIFPVBQESA-N	-1	0	279.720	0.752	20	30		CCEDRM
C=C(Cl)C[C@H](NS(=O)(=O)N(C)CC1CC1)C(=O)[O-]	ZINC000863422002	613390889	/nfs/dbraw/zinc/39/08/89/613390889.db2.gz	YGPVGXYOAXMTJC-VIFPVBQESA-N	-1	0	296.776	0.758	20	30		CCEDRM
C=CCS(=O)(=O)[N-]C(=O)c1nnc2ccccc2n1	ZINC000810643277	613394775	/nfs/dbraw/zinc/39/47/75/613394775.db2.gz	HRCKDOYSPHIROO-UHFFFAOYSA-N	-1	0	278.293	0.270	20	30		CCEDRM
C=CC[C@@H](CO)CNC(=O)c1ccc(C(=O)[O-])nc1	ZINC000833371871	613402643	/nfs/dbraw/zinc/40/26/43/613402643.db2.gz	YVARQQZNBWGNEH-SECBINFHSA-N	-1	0	264.281	0.694	20	30		CCEDRM
C=CC[C@H](NC(=O)[C@H](OC)C(=O)[O-])c1ccncc1	ZINC000901894159	613418752	/nfs/dbraw/zinc/41/87/52/613418752.db2.gz	NGMJLPMPVIMIIH-QWRGUYRKSA-N	-1	0	264.281	0.915	20	30		CCEDRM
C=CCn1cc(C(=O)N2C[C@@H](F)C[C@H]2C(=O)[O-])nn1	ZINC000910438550	613427498	/nfs/dbraw/zinc/42/74/98/613427498.db2.gz	UENZVQGLRCYUOJ-CBAPKCEASA-N	-1	0	268.248	0.101	20	30		CCEDRM
C=CCn1cc(C(=O)N[C@H]2C[C@H]3C[C@H](C(=O)[O-])C[C@H]32)nn1	ZINC000907946485	613431701	/nfs/dbraw/zinc/43/17/01/613431701.db2.gz	RWKNHWPSHVRVIY-YTWAJWBKSA-N	-1	0	290.323	0.693	20	30		CCEDRM
C=C[C@@H](C)NC(=O)CO[C@H]1CCCN(C(=O)[O-])C1	ZINC000823490518	613442331	/nfs/dbraw/zinc/44/23/31/613442331.db2.gz	FHAALJWFLBEEEV-ZJUUUORDSA-N	-1	0	256.302	0.836	20	30		CCEDRM
C=C[C@@H](C)O[N-]C(=O)COCc1cc[nH]c(=O)c1	ZINC000862132756	613443625	/nfs/dbraw/zinc/44/36/25/613443625.db2.gz	MFPWVESECJDDKY-SECBINFHSA-N	-1	0	252.270	0.926	20	30		CCEDRM
C=C[C@@H](C)ONC(=O)C[C@H](O)CNC(=O)OC(C)(C)C	ZINC000869154821	613443643	/nfs/dbraw/zinc/44/36/43/613443643.db2.gz	ZBMOXDGASVBXEN-ZJUUUORDSA-N	-1	0	288.344	0.884	20	30		CCEDRM
C=C[C@@H](C)O[N-]C(=O)CNS(=O)(=O)CCCC	ZINC000846546611	613443646	/nfs/dbraw/zinc/44/36/46/613443646.db2.gz	DFSORMJYDWXISL-SECBINFHSA-N	-1	0	264.347	0.328	20	30		CCEDRM
C=C[C@@H](C)O[N-]C(=O)CNC(=O)c1ccoc1C	ZINC000846550420	613443669	/nfs/dbraw/zinc/44/36/69/613443669.db2.gz	SGEURHQSHCXOEQ-MRVPVSSYSA-N	-1	0	252.270	0.940	20	30		CCEDRM
C=C[C@@H](C)O[N-]C(=O)[C@@H](C)n1cnc2c1ncnc2N	ZINC000855026828	613447151	/nfs/dbraw/zinc/44/71/51/613447151.db2.gz	QECHRSPHICZIAB-HTQZYQBOSA-N	-1	0	276.300	0.592	20	30		CCEDRM
C=C[C@@H](CCC(=O)[O-])NS(=O)(=O)CC1(F)CC1	ZINC000903846482	613449167	/nfs/dbraw/zinc/44/91/67/613449167.db2.gz	PKBHUKXRLKNCHZ-QMMMGPOBSA-N	-1	0	265.306	0.827	20	30		CCEDRM
C=CC(C)(C)NS(=O)(=O)N1CCC[C@@H](C(=O)[O-])C1	ZINC000903557036	613449205	/nfs/dbraw/zinc/44/92/05/613449205.db2.gz	ONNSOPHEFBNUIV-SECBINFHSA-N	-1	0	276.358	0.582	20	30		CCEDRM
C=CC(C)(C)[N-]S(=O)(=O)c1cc(C(=O)OC)no1	ZINC000908466953	613449454	/nfs/dbraw/zinc/44/94/54/613449454.db2.gz	VAXRDGXDMISWCK-UHFFFAOYSA-N	-1	0	274.298	0.704	20	30		CCEDRM
C=CC1(S(=O)(=O)[N-]C(=O)CCc2cnn(C)c2C)CC1	ZINC000870833353	613450349	/nfs/dbraw/zinc/45/03/49/613450349.db2.gz	BJGULAUOWUJXGI-UHFFFAOYSA-N	-1	0	297.380	0.826	20	30		CCEDRM
C=C[C@@H](O)C(=O)N1CCOc2ccccc2[C@@H]1C(=O)[O-]	ZINC000911058142	613450535	/nfs/dbraw/zinc/45/05/35/613450535.db2.gz	UJJBGLCACTYICR-ZYHUDNBSSA-N	-1	0	277.276	0.580	20	30		CCEDRM
C=C[C@@H](O)C(=O)N1CCN(c2ccc(C(=O)[O-])s2)CC1	ZINC000911767077	613450641	/nfs/dbraw/zinc/45/06/41/613450641.db2.gz	VKSXLHHXURTNCO-SECBINFHSA-N	-1	0	296.348	0.642	20	30		CCEDRM
C=CC1(S(=O)(=O)[N-]C(=O)[C@]2(OC)CCSC2)CC1	ZINC000893304749	613451938	/nfs/dbraw/zinc/45/19/38/613451938.db2.gz	HOHUFPYEBFZHCW-NSHDSACASA-N	-1	0	291.394	0.673	20	30		CCEDRM
C=CC1(S(=O)(=O)[N-]C(=O)c2cccc(OC)n2)CC1	ZINC000870835051	613451961	/nfs/dbraw/zinc/45/19/61/613451961.db2.gz	ZUQUXHNTACBWNO-UHFFFAOYSA-N	-1	0	282.321	0.868	20	30		CCEDRM
C=C[C@@H](O)C(=O)NCc1nc(C)c(C(=O)[O-])s1	ZINC000909502610	613452088	/nfs/dbraw/zinc/45/20/88/613452088.db2.gz	SVIZBFQOZVBFQR-ZCFIWIBFSA-N	-1	0	256.283	0.313	20	30		CCEDRM
C=C[C@@H](O)C(=O)N[C@H](C)c1ccc(OCC(=O)[O-])cc1	ZINC000909788200	613452554	/nfs/dbraw/zinc/45/25/54/613452554.db2.gz	GNCNUFMHFPNFHE-BXKDBHETSA-N	-1	0	279.292	0.874	20	30		CCEDRM
C=CCC(F)(F)C(=O)[N-]S(=O)(=O)CCOC	ZINC000815945436	613455100	/nfs/dbraw/zinc/45/51/00/613455100.db2.gz	GRMNNOUIAASPIF-UHFFFAOYSA-N	-1	0	257.258	0.290	20	30		CCEDRM
C=CCC1(S(=O)(=O)[N-]C(=O)C[C@H]2CCNC2=O)CC1	ZINC000893034416	613460846	/nfs/dbraw/zinc/46/08/46/613460846.db2.gz	PDFPDCMMTVUNNA-SECBINFHSA-N	-1	0	286.353	0.067	20	30		CCEDRM
C=CCC1(S(=O)(=O)[N-]C(=O)CCc2ncccn2)CC1	ZINC000813100532	613460882	/nfs/dbraw/zinc/46/08/82/613460882.db2.gz	GUOROOCHDGEIDO-UHFFFAOYSA-N	-1	0	295.364	0.964	20	30		CCEDRM
C=CCCC(=O)[N-]S(=O)(=O)c1cn(C)nc1C	ZINC000809036922	613463085	/nfs/dbraw/zinc/46/30/85/613463085.db2.gz	DILXCPXOPPDBHY-UHFFFAOYSA-N	-1	0	257.315	0.500	20	30		CCEDRM
C=C[C@@H]1OCC[C@H]1C(=O)[N-]S(=O)(=O)N1CCCC1	ZINC000835098965	613465661	/nfs/dbraw/zinc/46/56/61/613465661.db2.gz	SZKSQUFFBOZCSK-ZJUUUORDSA-N	-1	0	274.342	0.034	20	30		CCEDRM
C=CCCCS(=O)(=O)N[C@@H](C[C@@H]1CCCO1)C(=O)[O-]	ZINC000903030640	613469514	/nfs/dbraw/zinc/46/95/14/613469514.db2.gz	SLGKGIHCBYMTBE-QWRGUYRKSA-N	-1	0	291.369	0.894	20	30		CCEDRM
C=CCCCS(=O)(=O)N[C@@H]1CCO[C@](C)(C(=O)[O-])C1	ZINC000906007518	613469716	/nfs/dbraw/zinc/46/97/16/613469716.db2.gz	AIPNWOVVKPWRQD-PWSUYJOCSA-N	-1	0	291.369	0.894	20	30		CCEDRM
C=C[C@@H]1OCC[C@H]1CNC(=O)N[C@]1(C(=O)[O-])CCOC1	ZINC000909239197	613469861	/nfs/dbraw/zinc/46/98/61/613469861.db2.gz	TXMLFVGWLDACTR-OUJBWJOFSA-N	-1	0	284.312	0.120	20	30		CCEDRM
C=CCCC[C@@H](NC(=O)c1ncn(C)n1)C(=O)[O-]	ZINC000910917602	613471481	/nfs/dbraw/zinc/47/14/81/613471481.db2.gz	RVXVYSAVIARXTE-MRVPVSSYSA-N	-1	0	252.274	0.354	20	30		CCEDRM
C=CCCC[C@@H](NS(=O)(=O)N(C)C)C(=O)[O-]	ZINC000903058861	613471583	/nfs/dbraw/zinc/47/15/83/613471583.db2.gz	JYMGUKPQCRRCOO-MRVPVSSYSA-N	-1	0	250.320	0.192	20	30		CCEDRM
C=CCCC[C@H](NC(=O)[C@@H]1CN(CC)CCO1)C(=O)[O-]	ZINC000910916685	613473681	/nfs/dbraw/zinc/47/36/81/613473681.db2.gz	ICRAMMRPKGHION-RYUDHWBXSA-N	-1	0	284.356	0.633	20	30		CCEDRM
C=CCCC[C@H](NC(=O)[C@H](O)C1CCOCC1)C(=O)[O-]	ZINC000910915826	613474465	/nfs/dbraw/zinc/47/44/65/613474465.db2.gz	BNUGEFHFMDIJNV-NWDGAFQWSA-N	-1	0	285.340	0.700	20	30		CCEDRM
C=CCCN(C)C(=O)CCCn1c(=O)[n-][nH]c1=O	ZINC000907639307	613476241	/nfs/dbraw/zinc/47/62/41/613476241.db2.gz	KCUFFXDBUFZFKT-UHFFFAOYSA-N	-1	0	254.290	0.504	20	30		CCEDRM
C=C[C@@](C)(CCOC)C(=O)NCCOCC(=O)[O-]	ZINC000909636833	613476999	/nfs/dbraw/zinc/47/69/99/613476999.db2.gz	KGXLPBGZMKJKFB-LBPRGKRZSA-N	-1	0	259.302	0.433	20	30		CCEDRM
C=C[C@H](C)O[N-]C(=O)[C@H](C)S(=O)(=O)C1CCOCC1	ZINC000846547142	613488291	/nfs/dbraw/zinc/48/82/91/613488291.db2.gz	IOTQJHGQGZAPQV-UWVGGRQHSA-N	-1	0	291.369	0.591	20	30		CCEDRM
C=C[C@H](C)O[N-]C(=O)[C@H](C)n1cnc2c1ncnc2N	ZINC000855026831	613488335	/nfs/dbraw/zinc/48/83/35/613488335.db2.gz	QECHRSPHICZIAB-YUMQZZPRSA-N	-1	0	276.300	0.592	20	30		CCEDRM
C=C[C@H](CC)CC(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)[O-]	ZINC000907743987	613490045	/nfs/dbraw/zinc/49/00/45/613490045.db2.gz	NDOKSJPTQWSKTE-LPEHRKFASA-N	-1	0	270.329	0.683	20	30		CCEDRM
C=C[C@H](O)C(=O)N1CC[C@H](C(=O)[O-])[C@H]2CCC[C@H]21	ZINC000910246160	613494979	/nfs/dbraw/zinc/49/49/79/613494979.db2.gz	NPAWJQUFTQWMSL-YTWAJWBKSA-N	-1	0	253.298	0.635	20	30		CCEDRM
C=C[C@H](O)C(=O)N1CC[C@H](C(=O)[O-])[C@H]2CCC[C@@H]21	ZINC000910246159	613495055	/nfs/dbraw/zinc/49/50/55/613495055.db2.gz	NPAWJQUFTQWMSL-RCWTZXSCSA-N	-1	0	253.298	0.635	20	30		CCEDRM
C=C[C@](C)(O)C(=O)NCc1nc(C(=O)[O-])cs1	ZINC000909257806	613508114	/nfs/dbraw/zinc/50/81/14/613508114.db2.gz	FCTSRGMHKJOJQX-JTQLQIEISA-N	-1	0	256.283	0.395	20	30		CCEDRM
CC#CCCCC(=O)[N-]S(=O)(=O)CCC(=O)OC	ZINC000842355217	613520295	/nfs/dbraw/zinc/52/02/95/613520295.db2.gz	FXFKCEZACOFKOJ-UHFFFAOYSA-N	-1	0	275.326	0.189	20	30		CCEDRM
CC#CCCNC(=O)N1C[C@H](C(=O)OC)CC[C@@H]1C(=O)[O-]	ZINC000909030189	613522360	/nfs/dbraw/zinc/52/23/60/613522360.db2.gz	ASYSPAKUTHKNCJ-GHMZBOCLSA-N	-1	0	296.323	0.448	20	30		CCEDRM
CC#CCCNC(=O)N[C@H](C[C@@H]1CCCOC1)C(=O)[O-]	ZINC000909030367	613522824	/nfs/dbraw/zinc/52/28/24/613522824.db2.gz	IQCWHYOEJYCDEB-NWDGAFQWSA-N	-1	0	282.340	0.969	20	30		CCEDRM
CC#CCN1C(=O)N[C@]2(CCCC[C@H]2CNC(=O)[O-])C1=O	ZINC000823521980	613525229	/nfs/dbraw/zinc/52/52/29/613525229.db2.gz	OTCAYZYTKPRPAI-HZMBPMFUSA-N	-1	0	293.323	0.758	20	30		CCEDRM
C=CCCS(=O)(=O)N1CCC[C@H](C#CC(=O)[O-])C1	ZINC000899926584	613580587	/nfs/dbraw/zinc/58/05/87/613580587.db2.gz	OIZIQVFJFXNOQW-LLVKDONJSA-N	-1	0	271.338	0.692	20	30		CCEDRM
C=CCCOCC(=O)NCc1ccc(C(=O)[O-])cn1	ZINC000911732872	613571972	/nfs/dbraw/zinc/57/19/72/613571972.db2.gz	QTESTBQWEKTZEC-UHFFFAOYSA-N	-1	0	264.281	0.989	20	30		CCEDRM
C=CCCOCC(=O)N[C@H](C[C@H]1CCCO1)C(=O)[O-]	ZINC000910583880	613573363	/nfs/dbraw/zinc/57/33/63/613573363.db2.gz	DAELQFICTMMQGU-GHMZBOCLSA-N	-1	0	271.313	0.718	20	30		CCEDRM
C=CCCO[N-]C(=O)[C@@H]1COCCN1CC(F)(F)F	ZINC000856034321	613577184	/nfs/dbraw/zinc/57/71/84/613577184.db2.gz	DPMICYDPNHLSHI-VIFPVBQESA-N	-1	0	282.262	0.873	20	30		CCEDRM
C=CCCO[C@H](C)C(=O)N1CC[N@H+](CCC(=O)[O-])[C@H](C)C1	ZINC000833373803	613578928	/nfs/dbraw/zinc/57/89/28/613578928.db2.gz	DJCSDJCWCANRNW-CHWSQXEVSA-N	-1	0	298.383	0.975	20	30		CCEDRM
C=CCCO[C@H](C)C(=O)[N-]S(=O)(=O)CC(F)F	ZINC000851360048	613579559	/nfs/dbraw/zinc/57/95/59/613579559.db2.gz	LBNVPZCAAKDLTD-SSDOTTSWSA-N	-1	0	271.285	0.679	20	30		CCEDRM
C=CCCS(=O)(=O)N(C)[C@@H](COC(C)C)C(=O)[O-]	ZINC000825675807	613580248	/nfs/dbraw/zinc/58/02/48/613580248.db2.gz	HIEIELKFZHKTSS-JTQLQIEISA-N	-1	0	279.358	0.702	20	30		CCEDRM
C=CCCS(=O)(=O)N[C@H]1CCOC[C@H]1CC(=O)[O-]	ZINC000899950429	613582178	/nfs/dbraw/zinc/58/21/78/613582178.db2.gz	PCXUOCRSPXFVSY-ZJUUUORDSA-N	-1	0	277.342	0.362	20	30		CCEDRM
C=CCC[C@@H](NC(=O)COCc1nccn1C)C(=O)[O-]	ZINC000909712945	613584377	/nfs/dbraw/zinc/58/43/77/613584377.db2.gz	OSMHIVJESIZDFG-SNVBAGLBSA-N	-1	0	281.312	0.472	20	30		CCEDRM
C=CCC[C@@H](NC(=O)CCc1cn[nH]c1)C(=O)[O-]	ZINC000909713513	613584554	/nfs/dbraw/zinc/58/45/54/613584554.db2.gz	FPYOFUJNKGOCBA-SNVBAGLBSA-N	-1	0	251.286	0.878	20	30		CCEDRM
C=CCC[C@@H](NC(=O)c1cc2n(n1)CCC2)C(=O)[O-]	ZINC000909714463	613584985	/nfs/dbraw/zinc/58/49/85/613584985.db2.gz	XELJCJWTBFNTCM-SNVBAGLBSA-N	-1	0	263.297	0.979	20	30		CCEDRM
C=CCC[C@@H](NC(=O)NCc1cn(C)cn1)C(=O)[O-]	ZINC000900308516	613585066	/nfs/dbraw/zinc/58/50/66/613585066.db2.gz	JUCXHYSFJKQGHL-SNVBAGLBSA-N	-1	0	266.301	0.639	20	30		CCEDRM
C=CCC[C@H](NC(=O)NCc1cn(C)cn1)C(=O)[O-]	ZINC000900308515	613589908	/nfs/dbraw/zinc/58/99/08/613589908.db2.gz	JUCXHYSFJKQGHL-JTQLQIEISA-N	-1	0	266.301	0.639	20	30		CCEDRM
C=CCC[C@H](NC(=O)c1cn(CC2CC2)nn1)C(=O)[O-]	ZINC000909712070	613590342	/nfs/dbraw/zinc/59/03/42/613590342.db2.gz	GVLNXKJVCQDOCU-JTQLQIEISA-N	-1	0	278.312	0.837	20	30		CCEDRM
C=CCCn1cc(C(=O)[N-]S(=O)(=O)CCCC)nn1	ZINC000819935272	613595109	/nfs/dbraw/zinc/59/51/09/613595109.db2.gz	KBSHYGRUKQTFLQ-UHFFFAOYSA-N	-1	0	286.357	0.714	20	30		CCEDRM
C=CCN(C(=O)NCC(=O)[N-]OCC)[C@@H](C)COC	ZINC000854218218	613605924	/nfs/dbraw/zinc/60/59/24/613605924.db2.gz	RWBNWXONLFFKFY-JTQLQIEISA-N	-1	0	273.333	0.287	20	30		CCEDRM
C=CCN(CC(=O)[O-])C(=O)Cc1cc(CC)nn1C	ZINC000909515636	613642504	/nfs/dbraw/zinc/64/25/04/613642504.db2.gz	FCCPKYYCKWKLJZ-UHFFFAOYSA-N	-1	0	265.313	0.624	20	30		CCEDRM
C=CCN(CC(=O)[O-])C(=O)NCCOC[C@H]1CCCO1	ZINC000908905347	613642729	/nfs/dbraw/zinc/64/27/29/613642729.db2.gz	LPTUIZLRIUPZGD-LLVKDONJSA-N	-1	0	286.328	0.464	20	30		CCEDRM
CC#CCS(=O)(=O)[N-]C(=O)CCC(C)(C)C(C)=O	ZINC000810774633	613645803	/nfs/dbraw/zinc/64/58/03/613645803.db2.gz	OTNFQPQZLOIUBX-UHFFFAOYSA-N	-1	0	273.354	0.851	20	30		CCEDRM
CC#CCS(=O)(=O)[N-]C(=O)CCOCC(C)C	ZINC000810778405	613645867	/nfs/dbraw/zinc/64/58/67/613645867.db2.gz	WPSDQFCEZVPCDF-UHFFFAOYSA-N	-1	0	261.343	0.518	20	30		CCEDRM
CC#CCS(=O)(=O)[N-]C(=O)C[C@@H]1CCCOC1	ZINC000810775324	613646230	/nfs/dbraw/zinc/64/62/30/613646230.db2.gz	AYOAWHLAKNDVMF-JTQLQIEISA-N	-1	0	259.327	0.272	20	30		CCEDRM
CC#CCS(=O)(=O)[N-]C(=O)C[C@H]1CSCCS1	ZINC000810770791	613646259	/nfs/dbraw/zinc/64/62/59/613646259.db2.gz	BERZUNOPHMVHNF-VIFPVBQESA-N	-1	0	293.435	0.694	20	30		CCEDRM
CC#CCS(=O)(=O)[N-]C(=O)C[C@@H]1Cc2ccccc2O1	ZINC000870330917	613646262	/nfs/dbraw/zinc/64/62/62/613646262.db2.gz	XNGVEKVAJXWZQQ-LBPRGKRZSA-N	-1	0	293.344	0.850	20	30		CCEDRM
CC#CCS(=O)(=O)[N-]C(=O)[C@@]1(C)CCCCO1	ZINC000838870500	613647155	/nfs/dbraw/zinc/64/71/55/613647155.db2.gz	AVIWNVMPSUHKQS-LLVKDONJSA-N	-1	0	259.327	0.415	20	30		CCEDRM
CC#CCS(=O)(=O)[N-]C(=O)c1cc(C)n(C)c1C	ZINC000810772035	613647620	/nfs/dbraw/zinc/64/76/20/613647620.db2.gz	SFLYQBFIHZEUJU-UHFFFAOYSA-N	-1	0	268.338	0.725	20	30		CCEDRM
CC#CCS(=O)(=O)[N-]C(=O)c1cccc(F)c1	ZINC000791111466	613647794	/nfs/dbraw/zinc/64/77/94/613647794.db2.gz	SHPYEFTVURRXDI-UHFFFAOYSA-N	-1	0	255.270	0.909	20	30		CCEDRM
CC(=NNCC(N)=O)[C@@H]1C[C@H](CC(=O)[O-])C1(C)C	ZINC000814903969	613655003	/nfs/dbraw/zinc/65/50/03/613655003.db2.gz	KLNDOYLFHKNLLR-BDAKNGLRSA-N	-1	0	255.318	0.574	20	30		CCEDRM
CC(=NNCC(N)=O)c1cccc(O[C@H](C)C(=O)[O-])c1	ZINC000814904051	613655060	/nfs/dbraw/zinc/65/50/60/613655060.db2.gz	OVFRYGLKFWKKKB-SECBINFHSA-N	-1	0	279.296	0.337	20	30		CCEDRM
CC(=NO[C@@H]1CCCCO1)c1cn(CC(=O)[O-])nn1	ZINC000833386911	613657744	/nfs/dbraw/zinc/65/77/44/613657744.db2.gz	BWTMGUWLZJPXTL-LLVKDONJSA-N	-1	0	268.273	0.630	20	30		CCEDRM
CC(=O)N1CCC(COC(=O)[C@@](C)(C#N)CC(=O)[O-])CC1	ZINC000819731717	613804915	/nfs/dbraw/zinc/80/49/15/613804915.db2.gz	OOFVCKNRGDEGBX-CQSZACIVSA-N	-1	0	296.323	0.793	20	30		CCEDRM
C=CCNC(=O)C(=O)Nc1ccc(OC)cc1C(=O)[O-]	ZINC000833377105	613844962	/nfs/dbraw/zinc/84/49/62/613844962.db2.gz	MJLSNBRRMVHONT-UHFFFAOYSA-N	-1	0	278.264	0.634	20	30		CCEDRM
C=CCNC(=O)N1C[C@@H](C(=O)[O-])C[C@@H](c2cnn(C)c2)C1	ZINC000864345477	613849419	/nfs/dbraw/zinc/84/94/19/613849419.db2.gz	XYBISBVTPGYBIR-MNOVXSKESA-N	-1	0	292.339	0.806	20	30		CCEDRM
C=CCNC(=O)[C@@H](C#N)C(=O)C1CCC(C(=O)[O-])CC1	ZINC000833376969	613852639	/nfs/dbraw/zinc/85/26/39/613852639.db2.gz	HSRGZAVHAMMCSB-ILDUYXDCSA-N	-1	0	278.308	0.888	20	30		CCEDRM
C=CCNC(=O)C(C#N)=C([O-])c1cc([N+](=O)[O-])cn1C	ZINC000916919969	613852890	/nfs/dbraw/zinc/85/28/90/613852890.db2.gz	FBRMVEWGBWWPCO-VIFPVBQESA-N	-1	0	276.252	0.558	20	30		CCEDRM
C=CCNC(=O)C(C#N)=C([O-])c1cnn(C2CC2)c1	ZINC000860470981	613854951	/nfs/dbraw/zinc/85/49/51/613854951.db2.gz	BUHZHLALYSQMES-LLVKDONJSA-N	-1	0	258.281	0.843	20	30		CCEDRM
C=CCNC(=O)[C@H](C)OC(=O)C1(NC(=O)[O-])CCCC1	ZINC000823506726	613855469	/nfs/dbraw/zinc/85/54/69/613855469.db2.gz	KZAGKDFLHIDGDU-VIFPVBQESA-N	-1	0	284.312	0.801	20	30		CCEDRM
C=CCNC(=S)NN=Cc1cccn1CC(=O)[O-]	ZINC000833376693	613857738	/nfs/dbraw/zinc/85/77/38/613857738.db2.gz	OZKHTAIATCKVIR-UHFFFAOYSA-N	-1	0	266.326	0.557	20	30		CCEDRM
C=CCNc1ncc(C(=O)N[C@@H]2CCCN(O)C2=O)s1	ZINC000908404774	613876750	/nfs/dbraw/zinc/87/67/50/613876750.db2.gz	BTAXEPAPYUIOGC-MRVPVSSYSA-N	-1	0	296.352	0.851	20	30		CCEDRM
C=CCOCCNC(=O)[C@@H](CC(C)C)NC(=O)[O-]	ZINC000833376223	613880991	/nfs/dbraw/zinc/88/09/91/613880991.db2.gz	YFBXBPHNUWUVHI-SNVBAGLBSA-N	-1	0	258.318	0.988	20	30		CCEDRM
C=CCOC[C@@H](NC(=O)C[C@H]1CC(C)(C)CO1)C(=O)[O-]	ZINC000909766320	613881678	/nfs/dbraw/zinc/88/16/78/613881678.db2.gz	GRCNSPLDADUJTD-WDEREUQCSA-N	-1	0	285.340	0.964	20	30		CCEDRM
C=CCOC[C@@H](NC(=O)N[C@@H]1CCCSC1)C(=O)[O-]	ZINC000797727940	613881699	/nfs/dbraw/zinc/88/16/99/613881699.db2.gz	VCBGFAKIGUZIFJ-NXEZZACHSA-N	-1	0	288.369	0.837	20	30		CCEDRM
C=CCOC[C@@H](NC(=O)c1c(C)ccn1C)C(=O)[O-]	ZINC000909771289	613881889	/nfs/dbraw/zinc/88/18/89/613881889.db2.gz	MEBSSJKGHXAQAO-SNVBAGLBSA-N	-1	0	266.297	0.719	20	30		CCEDRM
C=CCOC[C@@H](NCc1cccc(OC)n1)C(=O)[O-]	ZINC000901808876	613882063	/nfs/dbraw/zinc/88/20/63/613882063.db2.gz	LYZXIVXWCQRAEJ-LLVKDONJSA-N	-1	0	266.297	0.836	20	30		CCEDRM
C=CCOC[C@H](NC(=O)NC[C@@H](C)C1CC1)C(=O)[O-]	ZINC000908894638	613882391	/nfs/dbraw/zinc/88/23/91/613882391.db2.gz	VSHCGZGSKQWGJU-KOLCDFICSA-N	-1	0	270.329	0.988	20	30		CCEDRM
C=CCOC[C@H](NC(=O)N[C@H]1CO[C@H](C)C1)C(=O)[O-]	ZINC000909038576	613882437	/nfs/dbraw/zinc/88/24/37/613882437.db2.gz	YNAIZIPAPTUZCR-BBBLOLIVSA-N	-1	0	272.301	0.119	20	30		CCEDRM
C=CCOC[C@H](NC(=O)[C@@H]1C[C@@H]1c1cnn(C)c1)C(=O)[O-]	ZINC000909769969	613882542	/nfs/dbraw/zinc/88/25/42/613882542.db2.gz	FZPTYLLJCBKFOP-UTUOFQBUSA-N	-1	0	293.323	0.296	20	30		CCEDRM
C=CCO[N-]C(=O)[C@H]1CCCCN1S(=O)(=O)CCC	ZINC000837045062	613884581	/nfs/dbraw/zinc/88/45/81/613884581.db2.gz	WEPNEVRGQSRLOL-LLVKDONJSA-N	-1	0	290.385	0.815	20	30		CCEDRM
C=CCO[N-]C(=O)[C@H](C)NS(=O)(=O)c1ccc(C)cc1	ZINC000837044318	613884605	/nfs/dbraw/zinc/88/46/05/613884605.db2.gz	LZGUHOKENICKCC-NSHDSACASA-N	-1	0	298.364	0.896	20	30		CCEDRM
C=CCS(=O)(=O)[N-]C(=O)[C@@H](CC(=C)C)NC(C)=O	ZINC000850913944	613886193	/nfs/dbraw/zinc/88/61/93/613886193.db2.gz	XKXTWNDXYRMVIZ-SNVBAGLBSA-N	-1	0	274.342	0.089	20	30		CCEDRM
C=CCS(=O)(=O)[N-]C(=O)[C@]12C[C@H]1COC2(C)C	ZINC000850912833	613886269	/nfs/dbraw/zinc/88/62/69/613886269.db2.gz	HUCOQZAEJWBXNQ-KWQFWETISA-N	-1	0	259.327	0.434	20	30		CCEDRM
C=CCS(=O)(=O)[N-]C(=O)c1cccc([N+](=O)[O-])c1	ZINC000132805271	613886307	/nfs/dbraw/zinc/88/63/07/613886307.db2.gz	OTFCUIVABJMPPK-UHFFFAOYSA-N	-1	0	270.266	0.840	20	30		CCEDRM
C=CCS(=O)(=O)[N-]C(=O)c1c(C2CC2)cnn1C	ZINC000850912802	613886338	/nfs/dbraw/zinc/88/63/38/613886338.db2.gz	GZPOMJHECHJIGM-UHFFFAOYSA-N	-1	0	269.326	0.543	20	30		CCEDRM
CC(C)(C)NC(=O)CCNC(=O)[C@](C)(C#N)CC(=O)[O-]	ZINC000819908417	613947668	/nfs/dbraw/zinc/94/76/68/613947668.db2.gz	BJEPAYRKEQXPAB-ZDUSSCGKSA-N	-1	0	283.328	0.412	20	30		CCEDRM
CC(C)(C)OCC(=O)[N-]S(=O)(=O)c1cncc(C#N)c1	ZINC000813984755	614009182	/nfs/dbraw/zinc/00/91/82/614009182.db2.gz	ZDYGSRYZJGDHJK-UHFFFAOYSA-N	-1	0	297.336	0.573	20	30		CCEDRM
CC(C)OCCO[N-]C(=O)C(=O)Nc1cccc(C#N)n1	ZINC000832447215	614017867	/nfs/dbraw/zinc/01/78/67/614017867.db2.gz	WUPVHCRQFWHOKK-UHFFFAOYSA-N	-1	0	292.295	0.365	20	30		CCEDRM
CC(C)CCn1cc(C(=O)N[C@H]2CCCN(O)C2=O)nn1	ZINC000816756098	614062877	/nfs/dbraw/zinc/06/28/77/614062877.db2.gz	PYMMXQYJPCOZQP-JTQLQIEISA-N	-1	0	295.343	0.434	20	30		CCEDRM
CC(C)[C@@H](C#N)N1CCN(C(=O)C[C@H](C)NC(=O)[O-])CC1	ZINC000824592089	614071562	/nfs/dbraw/zinc/07/15/62/614071562.db2.gz	RICHRCHGMXFZKJ-NWDGAFQWSA-N	-1	0	296.371	0.725	20	30		CCEDRM
CC(C)(CNC(=O)[O-])C(=O)OC1CCN(CC#N)CC1	ZINC000823969011	614103016	/nfs/dbraw/zinc/10/30/16/614103016.db2.gz	CGVAIPKLUUKYMQ-UHFFFAOYSA-N	-1	0	283.328	0.811	20	30		CCEDRM
CC(C)(CNC(=O)[O-])NC(=O)Nc1ccn(CCC#N)n1	ZINC000823992099	614104103	/nfs/dbraw/zinc/10/41/03/614104103.db2.gz	UNWSKWMYQWMUQD-UHFFFAOYSA-N	-1	0	294.315	0.964	20	30		CCEDRM
CC(C)[C@@H](NC(=O)[C@H](O)c1ccc(C#N)cc1)C(=O)[O-]	ZINC000820036830	614126536	/nfs/dbraw/zinc/12/65/36/614126536.db2.gz	ZTKZFLIQFXJBJP-VXGBXAGGSA-N	-1	0	276.292	0.817	20	30		CCEDRM
CC(C)[C@@](C)(C#N)NC(=O)COC(=O)[C@H](C)NC(=O)[O-]	ZINC000833466045	614180645	/nfs/dbraw/zinc/18/06/45/614180645.db2.gz	QKKQLIALTBGUAC-QPUJVOFHSA-N	-1	0	285.300	0.240	20	30		CCEDRM
CC(C)[C@H](C#N)NC(=O)CO[C@H]1CCCN(C(=O)[O-])C1	ZINC000824057238	614187280	/nfs/dbraw/zinc/18/72/80/614187280.db2.gz	PSHCFTNDFVZLHP-QWRGUYRKSA-N	-1	0	283.328	0.810	20	30		CCEDRM
CC(C)[C@H](CNC(=O)c1cc(C#N)c[nH]1)NC(=O)[O-]	ZINC000824122208	614210070	/nfs/dbraw/zinc/21/00/70/614210070.db2.gz	DJHANPFTCZSZHK-JTQLQIEISA-N	-1	0	264.285	0.908	20	30		CCEDRM
CC(C)[C@H](CO)O[N-]C(=O)[C@@H](O)c1ccc(C#N)cc1	ZINC000836891856	614213963	/nfs/dbraw/zinc/21/39/63/614213963.db2.gz	OYLDMIFYEMFHQK-STQMWFEESA-N	-1	0	278.308	0.656	20	30		CCEDRM
CC(C)Cn1[n-]c(CC(=O)N2CC[C@](F)(C#N)C2)cc1=O	ZINC000935572645	614235667	/nfs/dbraw/zinc/23/56/67/614235667.db2.gz	ZJIYTIVXXPUEKX-AWEZNQCLSA-N	-1	0	294.330	0.839	20	30		CCEDRM
CC(C)(C#N)CS(=O)(=O)N1CC[C@@H]2[C@H](C1)[C@H]2C(=O)[O-]	ZINC000906000286	614286696	/nfs/dbraw/zinc/28/66/96/614286696.db2.gz	JHLNFENCISFUIR-UTLUCORTSA-N	-1	0	286.353	0.518	20	30		CCEDRM
CC(C)[C@](C)(C#N)NC(=O)[C@H](C)N1CC[C@@H](NC(=O)[O-])C1	ZINC000823678846	614287038	/nfs/dbraw/zinc/28/70/38/614287038.db2.gz	WFGPWWRGCPJSMF-WDMOLILDSA-N	-1	0	296.371	0.771	20	30		CCEDRM
CC(C)N(CCC#N)C(=O)C[C@H]1CN(C(=O)[O-])CCO1	ZINC000824335887	614290547	/nfs/dbraw/zinc/29/05/47/614290547.db2.gz	IGRMMCYWSITYMO-NSHDSACASA-N	-1	0	283.328	0.906	20	30		CCEDRM
CC(Cn1cc(C(F)(F)F)ccc1=O)=NNCC(=O)[O-]	ZINC000814960777	614383100	/nfs/dbraw/zinc/38/31/00/614383100.db2.gz	QYMPQWLUKRMRDP-UHFFFAOYSA-N	-1	0	291.229	0.917	20	30		CCEDRM
CC1CCC(N(C)C(=O)CN(CC#N)CC(=O)[O-])CC1	ZINC000828226039	614421972	/nfs/dbraw/zinc/42/19/72/614421972.db2.gz	OIJDYUGYUJSQTR-UHFFFAOYSA-N	-1	0	281.356	0.934	20	30		CCEDRM
CCC(C#N)(CC)C(=O)N1CCO[C@H](C(=O)[O-])C1	ZINC000901450997	614470333	/nfs/dbraw/zinc/47/03/33/614470333.db2.gz	HAHKDIVXOQNSJE-VIFPVBQESA-N	-1	0	254.286	0.628	20	30		CCEDRM
CCCC(=O)N1CCCC[C@@H]1C(=O)N[C@@H]1CCN(O)C1=O	ZINC000816691274	614742478	/nfs/dbraw/zinc/74/24/78/614742478.db2.gz	OICZPGLTPRWZRQ-GHMZBOCLSA-N	-1	0	297.355	0.274	20	30		CCEDRM
C[C@](C#N)(CC(=O)[O-])C(=O)N[C@@H]1[C@H]2CCO[C@@H]2C1(C)C	ZINC000819822545	614869955	/nfs/dbraw/zinc/86/99/55/614869955.db2.gz	PETKXLCMQVDWFB-GCDPNZCJSA-N	-1	0	280.324	0.921	20	30		CCEDRM
CC1(S(=O)(=O)[N-]C(=O)COc2ccc(C#N)cc2)CC1	ZINC000806031106	614934659	/nfs/dbraw/zinc/93/46/59/614934659.db2.gz	WFYFMNUKFLZCTR-UHFFFAOYSA-N	-1	0	294.332	0.936	20	30		CCEDRM
CC1CC(C(=O)N2CCN(C(=O)[O-])C[C@@H]2C#N)C1	ZINC000825783622	615016900	/nfs/dbraw/zinc/01/69/00/615016900.db2.gz	LECHOHAMBZDHOT-RTBKNWGFSA-N	-1	0	251.286	0.747	20	30		CCEDRM
CCC[C@@](C)(NC(=O)[O-])C(=O)N1CCN(CC#N)CC1	ZINC000826714122	615028367	/nfs/dbraw/zinc/02/83/67/615028367.db2.gz	XVJXFSFAVSBLGW-CYBMUJFWSA-N	-1	0	282.344	0.481	20	30		CCEDRM
CCN(CCO)N=Cc1ccc(O)c(C(=O)[O-])c1	ZINC000842537156	615055294	/nfs/dbraw/zinc/05/52/94/615055294.db2.gz	ORIGTAUCNDXPAS-UHFFFAOYSA-N	-1	0	252.270	0.739	20	30		CCEDRM
CCN(C[C@@H](C)C#N)C(=O)COC(=O)[C@H](C)CC(=O)[O-]	ZINC000829642323	615061889	/nfs/dbraw/zinc/06/18/89/615061889.db2.gz	JBHLZMWIRMALEE-VHSXEESVSA-N	-1	0	284.312	0.649	20	30		CCEDRM
CCOC(=O)C(C)(C)O[N-]C(=O)[C@@H](C)n1cnc(C#N)n1	ZINC000855133295	615151536	/nfs/dbraw/zinc/15/15/36/615151536.db2.gz	XGDTUFMHRVNONF-MRVPVSSYSA-N	-1	0	295.299	0.100	20	30		CCEDRM
CCOCC1(C(=O)[N-]S(=O)(=O)CCCC#N)CC1	ZINC000799622265	615234726	/nfs/dbraw/zinc/23/47/26/615234726.db2.gz	GDGDSSYAYDHALJ-UHFFFAOYSA-N	-1	0	274.342	0.553	20	30		CCEDRM
CCOCCn1cc(C([O-])=C(C#N)C(=O)NC(C)C)cn1	ZINC000857010159	615303265	/nfs/dbraw/zinc/30/32/65/615303265.db2.gz	FZTWHCRTEWCMMN-LBPRGKRZSA-N	-1	0	292.339	0.767	20	30		CCEDRM
CCOC(=O)[C@H](C)OC(=O)[C@@](C)(C#N)CC(=O)[O-]	ZINC000820361222	615345540	/nfs/dbraw/zinc/34/55/40/615345540.db2.gz	WEOLXABFKFSJMO-WRWORJQWSA-N	-1	0	257.242	0.486	20	30		CCEDRM
CCS(=O)(=O)Nc1ccc(C(C)=NNCC(=O)[O-])cc1	ZINC000814956877	615352361	/nfs/dbraw/zinc/35/23/61/615352361.db2.gz	NSQLMZRZUJNCSO-UHFFFAOYSA-N	-1	0	299.352	0.846	20	30		CCEDRM
CC[C@@H](C)[C@H](OC)C(=O)[N-]S(=O)(=O)CCC#N	ZINC000835409424	615469185	/nfs/dbraw/zinc/46/91/85/615469185.db2.gz	WWOYZBJGJOHLNL-BDAKNGLRSA-N	-1	0	262.331	0.407	20	30		CCEDRM
CCO[C@H](C)C(=O)[N-]S(=O)(=O)CC1(C#N)CC1	ZINC000793203310	615477322	/nfs/dbraw/zinc/47/73/22/615477322.db2.gz	DGBCYEUFBGFHPV-MRVPVSSYSA-N	-1	0	260.315	0.161	20	30		CCEDRM
CC[C@@H](CNS(=O)(=O)N(C)C[C@H](C)C#N)C(=O)[O-]	ZINC000844785648	615484567	/nfs/dbraw/zinc/48/45/67/615484567.db2.gz	MXRRCBAPCXKGNP-BDAKNGLRSA-N	-1	0	277.346	0.023	20	30		CCEDRM
CCOc1ccc(S(=O)(=O)[N-]C(=O)[C@@H](C)CC#N)cn1	ZINC000850936884	615512532	/nfs/dbraw/zinc/51/25/32/615512532.db2.gz	LCHYVEKTFAXRCF-VIFPVBQESA-N	-1	0	297.336	0.835	20	30		CCEDRM
CC[C@@](C)(C#N)C(=O)N1C[C@@H](C)O[C@H](C(=O)[O-])C1	ZINC000923097813	615587959	/nfs/dbraw/zinc/58/79/59/615587959.db2.gz	BGHIJTDDPFOUAQ-PTRXPTGYSA-N	-1	0	254.286	0.627	20	30		CCEDRM
CC[C@H](C#N)NS(=O)(=O)c1ccc(OCC(=O)[O-])cc1	ZINC000833636081	615599931	/nfs/dbraw/zinc/59/99/31/615599931.db2.gz	GLAFQAGUWUTSLM-SECBINFHSA-N	-1	0	298.320	0.730	20	30		CCEDRM
CC[C@H](C)NC(=O)CCNC(=O)[C@@](C)(C#N)CC(=O)[O-]	ZINC000820266769	615673770	/nfs/dbraw/zinc/67/37/70/615673770.db2.gz	QQCMWYHKZPRAGG-TVQRCGJNSA-N	-1	0	283.328	0.412	20	30		CCEDRM
CCn1ncc(C([O-])=C(C#N)C(=O)N2CCCC2)n1	ZINC000815905025	615694491	/nfs/dbraw/zinc/69/44/91/615694491.db2.gz	XLSWTHLJLNSFTA-VIFPVBQESA-N	-1	0	261.285	0.243	20	30		CCEDRM
CC[C@H](CNS(=O)(=O)N(CC)C[C@@H](C)C#N)C(=O)[O-]	ZINC000844785666	615726673	/nfs/dbraw/zinc/72/66/73/615726673.db2.gz	NNJNVTVFGMEWFR-VHSXEESVSA-N	-1	0	291.373	0.413	20	30		CCEDRM
CC[C@H](NN=Cc1ccc(S(N)(=O)=O)s1)C(=O)[O-]	ZINC000844597425	615819793	/nfs/dbraw/zinc/81/97/93/615819793.db2.gz	IDYWKGLGGUDSOK-ZETCQYMHSA-N	-1	0	291.354	0.182	20	30		CCEDRM
CN(C(=O)[O-])[C@@H]1CCN(S(=O)(=O)CCCCC#N)C1	ZINC000827893653	615844502	/nfs/dbraw/zinc/84/45/02/615844502.db2.gz	AIXZWSDYDXNLBV-SNVBAGLBSA-N	-1	0	289.357	0.694	20	30		CCEDRM
CN(C)C(=O)CN(C)Cc1cccc(C(=O)[O-])c1C#N	ZINC000833691280	616042173	/nfs/dbraw/zinc/04/21/73/616042173.db2.gz	NIPCTHIDRQGRLS-UHFFFAOYSA-N	-1	0	275.308	0.776	20	30		CCEDRM
CN(CCC#N)C(=O)c1n[n-]c2ccccc2c1=O	ZINC000118319619	616067575	/nfs/dbraw/zinc/06/75/75/616067575.db2.gz	XTRLDRBULVUWBW-UHFFFAOYSA-N	-1	0	256.265	0.909	20	30		CCEDRM
CN(CCNC(=O)C#Cc1ccc2c(c1)OCO2)C(=O)[O-]	ZINC000828316881	616090763	/nfs/dbraw/zinc/09/07/63/616090763.db2.gz	WESBQCMLSQAYQL-UHFFFAOYSA-N	-1	0	290.275	0.493	20	30		CCEDRM
CN(C[C@@H](O)C1CC1)C(=O)[C@@](C)(C#N)CC(=O)[O-]	ZINC000820574264	616131192	/nfs/dbraw/zinc/13/11/92/616131192.db2.gz	KRIDIRQYTBQNOG-BXKDBHETSA-N	-1	0	254.286	0.220	20	30		CCEDRM
CN1CC[C@@H](N[C@H](C(=O)[O-])c2cccc(C#N)c2)C1=O	ZINC000830927918	616282596	/nfs/dbraw/zinc/28/25/96/616282596.db2.gz	FCZRZYDSPWBBCR-NEPJUHHUSA-N	-1	0	273.292	0.504	20	30		CCEDRM
COC(=O)C1CCN(C(=O)[C@@](C)(C#N)CC(=O)[O-])CC1	ZINC000820660996	616466816	/nfs/dbraw/zinc/46/68/16/616466816.db2.gz	QJUBCWZLFMEFJX-CYBMUJFWSA-N	-1	0	282.296	0.403	20	30		CCEDRM
COCCNC(=O)C(C#N)=C([O-])c1ccc(C)c(C#N)c1	ZINC000799602512	616491902	/nfs/dbraw/zinc/49/19/02/616491902.db2.gz	SOGJSHAKXWCFQN-ZDUSSCGKSA-N	-1	0	285.303	0.952	20	30		CCEDRM
COCCNC(=O)C(C#N)=C([O-])c1csc(COC)n1	ZINC000920838768	616496556	/nfs/dbraw/zinc/49/65/56/616496556.db2.gz	PXIWAMSFWIKKNB-MRVPVSSYSA-N	-1	0	297.336	0.375	20	30		CCEDRM
COCCNC(=O)C(C#N)=C([O-])c1ccc(OC)c(F)c1	ZINC000916892964	616496681	/nfs/dbraw/zinc/49/66/81/616496681.db2.gz	UNMVTWACKLGRAO-SNVBAGLBSA-N	-1	0	294.282	0.919	20	30		CCEDRM
COCCOCC(=O)[N-]Oc1cccc(C#N)c1	ZINC000870692637	616528953	/nfs/dbraw/zinc/52/89/53/616528953.db2.gz	IVOLNSKTLZXMGJ-UHFFFAOYSA-N	-1	0	250.254	0.631	20	30		CCEDRM
CO[C@@H]1CCOC[C@H]1NC(=O)c1cc(O)cc(C#N)c1	ZINC000889190214	616671173	/nfs/dbraw/zinc/67/11/73/616671173.db2.gz	ZLQLBMUTEKKXOJ-CHWSQXEVSA-N	-1	0	276.292	0.798	20	30		CCEDRM
COC[C@H](Cn1c(=O)[n-]cc(C#N)c1=O)C(C)C	ZINC000877890990	616682139	/nfs/dbraw/zinc/68/21/39/616682139.db2.gz	YLUZHSGOEMJOCS-JTQLQIEISA-N	-1	0	251.286	0.327	20	30		CCEDRM
COCC(COC)NN=Cc1cccc(C(=O)[O-])c1	ZINC000863194843	616736828	/nfs/dbraw/zinc/73/68/28/616736828.db2.gz	SJLJSNDMSQQKOJ-UHFFFAOYSA-N	-1	0	266.297	0.970	20	30		CCEDRM
COCC1(C(=O)[N-]S(=O)(=O)CC2(C#N)CC2)CCC1	ZINC000793203275	616749901	/nfs/dbraw/zinc/74/99/01/616749901.db2.gz	BZWBVVDCWLBQSJ-UHFFFAOYSA-N	-1	0	286.353	0.553	20	30		CCEDRM
CNC(=O)C(C#N)=C([O-])c1cc(C(=O)OC)oc1C	ZINC000850763149	616776727	/nfs/dbraw/zinc/77/67/27/616776727.db2.gz	AKWKYYPEICANIN-QMMMGPOBSA-N	-1	0	264.237	0.443	20	30		CCEDRM
CNC(=O)C(C#N)=C([O-])c1cnc2n1[C@H](C)CCC2	ZINC000845444736	616777841	/nfs/dbraw/zinc/77/78/41/616777841.db2.gz	DXQXIGCQPHMMPJ-BDAKNGLRSA-N	-1	0	260.297	0.849	20	30		CCEDRM
COC[C@](C)(C#N)NC(=O)[C@@H](C)CN(C)C(=O)[O-]	ZINC000828885338	616816846	/nfs/dbraw/zinc/81/68/46/616816846.db2.gz	CBCORQSZJOBHRE-KWQFWETISA-N	-1	0	257.290	0.277	20	30		CCEDRM
COC[C@](C)(C#N)NC(=O)c1cnc(NC(=O)[O-])cn1	ZINC000833881750	616817416	/nfs/dbraw/zinc/81/74/16/616817416.db2.gz	CPYKAFVTYFAXSJ-NSHDSACASA-N	-1	0	279.256	0.225	20	30		CCEDRM
COC[C@](C)(CC(=O)[O-])NC(=O)c1cc(C#N)c[nH]1	ZINC000831563449	616819262	/nfs/dbraw/zinc/81/92/62/616819262.db2.gz	JUSYVYVVCFASBY-LBPRGKRZSA-N	-1	0	265.269	0.496	20	30		CCEDRM
COC[C@](C)(NC(=O)NCC#Cc1ccccc1)C(=O)[O-]	ZINC000908768392	616829454	/nfs/dbraw/zinc/82/94/54/616829454.db2.gz	IJXFQXYLJLTGCQ-HNNXBMFYSA-N	-1	0	290.319	0.827	20	30		CCEDRM
COC(=O)N1CCC[C@H](NC(=O)[C@@](C)(C#N)CC(=O)[O-])C1	ZINC000820672930	616837553	/nfs/dbraw/zinc/83/75/53/616837553.db2.gz	IFTODTMVRGFDKH-TVQRCGJNSA-N	-1	0	297.311	0.338	20	30		CCEDRM
CNC(=O)C(C#N)=C([O-])c1cccc(-n2cccn2)c1	ZINC000117083815	616839664	/nfs/dbraw/zinc/83/96/64/616839664.db2.gz	DCGXZZPJKKFSIN-GFCCVEGCSA-N	-1	0	268.276	0.941	20	30		CCEDRM
COC[C@@H](C)[C@H](C)C(=O)[N-]S(=O)(=O)CC(C)(C)C#N	ZINC000813081543	616842077	/nfs/dbraw/zinc/84/20/77/616842077.db2.gz	ORPKELANTRQBLC-ZJUUUORDSA-N	-1	0	290.385	0.901	20	30		CCEDRM
COC[C@@H](NC(=O)[C@](C)(C#N)CC(=O)[O-])C1CC1	ZINC000820710820	616894793	/nfs/dbraw/zinc/89/47/93/616894793.db2.gz	VPLRXISYOYILBM-SKDRFNHKSA-N	-1	0	254.286	0.532	20	30		CCEDRM
CO[C@@](C)(C(=O)[O-])C(=O)NCc1cc(C#N)ccc1F	ZINC000902812341	616900781	/nfs/dbraw/zinc/90/07/81/616900781.db2.gz	RXGXLQSQWAAYEK-CYBMUJFWSA-N	-1	0	280.255	0.803	20	30		CCEDRM
COCCCNC(=O)C(C#N)=C([O-])c1conc1C	ZINC000860461861	616901895	/nfs/dbraw/zinc/90/18/95/616901895.db2.gz	NTJZWAPTVCKBBU-SECBINFHSA-N	-1	0	265.269	0.458	20	30		CCEDRM
COCc1csc(C(=O)[N-]S(=O)(=O)CCC#N)c1	ZINC000851015987	616916338	/nfs/dbraw/zinc/91/63/38/616916338.db2.gz	LLBDWXAKXVVSQD-UHFFFAOYSA-N	-1	0	288.350	0.868	20	30		CCEDRM
COC(=O)c1coc(CN[C@H]2CCCN(O)C2=O)c1	ZINC000895162158	617016197	/nfs/dbraw/zinc/01/61/97/617016197.db2.gz	XFCOINKSIMXDAI-JTQLQIEISA-N	-1	0	268.269	0.536	20	30		CCEDRM
COC[C@@](C)(NC(=O)Cc1noc(C)c1C#N)C(=O)[O-]	ZINC000833720783	617020925	/nfs/dbraw/zinc/02/09/25/617020925.db2.gz	GNBLWANGAMFGBN-GFCCVEGCSA-N	-1	0	281.268	0.003	20	30		CCEDRM
COC[C@H](C#N)OC(=O)[C@H]1CCC[C@@H](NC(=O)[O-])C1	ZINC000833883435	617047205	/nfs/dbraw/zinc/04/72/05/617047205.db2.gz	YWLQYCZRMJQCBA-AEJSXWLSSA-N	-1	0	270.285	0.895	20	30		CCEDRM
COC[C@H](C)NC(=S)NN=Cc1ccc(C(=O)[O-])nc1	ZINC000901138761	617077980	/nfs/dbraw/zinc/07/79/80/617077980.db2.gz	SWJSKTBKOBHBBM-QMMMGPOBSA-N	-1	0	296.352	0.613	20	30		CCEDRM
CO[C@@H](CC(=O)N[C@H]1CCN(O)C1=O)C(F)(F)F	ZINC000820132754	617161631	/nfs/dbraw/zinc/16/16/31/617161631.db2.gz	SJHPWBRXOZJMEE-WDSKDSINSA-N	-1	0	270.207	0.060	20	30		CCEDRM
Cn1nc(C(F)(F)F)cc1C=NNCC(=O)[O-]	ZINC000853351278	625306596	/nfs/dbraw/zinc/30/65/96/625306596.db2.gz	ZVWGGCRJROLYKY-UHFFFAOYSA-N	-1	0	250.180	0.447	20	30		CCEDRM
Cc1[nH]nc(C(=O)N2C[C@@H]3CC[C@@H](NCC#N)[C@@H]3C2)c1[O-]	ZINC001026242668	625369171	/nfs/dbraw/zinc/36/91/71/625369171.db2.gz	ODTCBOLNYJLGKD-HBNTYKKESA-N	-1	0	289.339	0.388	20	30		CCEDRM
COCCNC(=O)C(C#N)=C([O-])c1ccn(C)c1C	ZINC000194885694	625602828	/nfs/dbraw/zinc/60/28/28/625602828.db2.gz	IAHFFZBKJJXFCK-LLVKDONJSA-N	-1	0	263.297	0.419	20	30		CCEDRM
C#C[C@H](CC)NS(=O)(=O)c1cc(C(=O)[O-])n(C)c1	ZINC000229871455	623569786	/nfs/dbraw/zinc/56/97/86/623569786.db2.gz	TVGXCDAEAZLLII-MRVPVSSYSA-N	-1	0	270.310	0.413	20	30		CCEDRM
C#CCSCCNC(=O)N[C@H](CC1CC1)C(=O)[O-]	ZINC000310996691	623614926	/nfs/dbraw/zinc/61/49/26/623614926.db2.gz	MWVQFHXIAJDVCD-SNVBAGLBSA-N	-1	0	270.354	0.905	20	30		CCEDRM
C=C(C)CN(C)S(=O)(=O)c1cc(C(=O)[O-])ccn1	ZINC000311220619	623672173	/nfs/dbraw/zinc/67/21/73/623672173.db2.gz	USHXLCIWNCJCTH-UHFFFAOYSA-N	-1	0	270.310	0.976	20	30		CCEDRM
CS(=O)(=O)[N-]C(=O)COc1cccc([N+](=O)[O-])c1	ZINC000048480853	624785118	/nfs/dbraw/zinc/78/51/18/624785118.db2.gz	HOQRICNJHAVTRP-UHFFFAOYSA-N	-1	0	274.254	0.890	20	30		CCEDRM
N#CC(C(=O)NC1CC1)=C([O-])c1cccc(-n2ccnn2)c1	ZINC000165527636	624800161	/nfs/dbraw/zinc/80/01/61/624800161.db2.gz	NYFPMCSHCPJGNA-CYBMUJFWSA-N	-1	0	295.302	0.868	20	30		CCEDRM
N#CC[C@H](NC(=O)[C@@H]1CC[C@@H](C(=O)[O-])O1)C(F)(F)F	ZINC000905129589	634804960	/nfs/dbraw/zinc/80/49/60/634804960.db2.gz	IEMBKLYSOWGZIN-ACZMJKKPSA-N	-1	0	280.202	0.579	20	30		CCEDRM
CCCCS(=O)(=O)[N-]C(=O)[C@H]1CCN(C)C(=O)C1	ZINC000048518688	631728696	/nfs/dbraw/zinc/72/86/96/631728696.db2.gz	UILYFKJPRKJFPL-VIFPVBQESA-N	-1	0	276.358	0.941	20	30		CCEDRM
COc1ccc(C=Nn2c(=O)c(C)n[n-]c2=S)cc1O	ZINC000263626112	633014042	/nfs/dbraw/zinc/01/40/42/633014042.db2.gz	MOYKPURJZYBBOL-UHFFFAOYSA-N	-1	0	292.320	0.832	20	30		CCEDRM
C=C(Br)CNC(=O)N[C@@H](C)C(=O)[O-]	ZINC000163553598	633597423	/nfs/dbraw/zinc/59/74/23/633597423.db2.gz	IPCMTHWSZDEYHD-YFKPBYRVSA-N	-1	0	251.080	0.667	20	30		CCEDRM
O=C([O-])C#C[C@H]1CCCN(S(=O)(=O)c2ccco2)C1	ZINC000899925271	633923379	/nfs/dbraw/zinc/92/33/79/633923379.db2.gz	BNSWKUCOEHGWFQ-SNVBAGLBSA-N	-1	0	283.305	0.768	20	30		CCEDRM
O=C([O-])c1ccc(C=NNC(=S)NC2CC2)cn1	ZINC000901138712	634197921	/nfs/dbraw/zinc/19/79/21/634197921.db2.gz	RNAORKIWJBLQMV-UHFFFAOYSA-N	-1	0	264.310	0.740	20	30		CCEDRM
Cn1nc(C(=O)[O-])cc1C=NN[C@@H]1CCCOC1	ZINC000901222602	634215220	/nfs/dbraw/zinc/21/52/20/634215220.db2.gz	MVTIANARBWLAQJ-MRVPVSSYSA-N	-1	0	252.274	0.221	20	30		CCEDRM
N#CC[C@@H](NS(=O)(=O)c1cn[nH]c1)C(F)(F)F	ZINC000901773434	634275562	/nfs/dbraw/zinc/27/55/62/634275562.db2.gz	ONUWPNJQZRGECR-ZCFIWIBFSA-N	-1	0	268.220	0.533	20	30		CCEDRM
Cn1cc(S(=O)(=O)N[C@@H](CC#N)C(F)(F)F)cn1	ZINC000901771335	634275712	/nfs/dbraw/zinc/27/57/12/634275712.db2.gz	DDIINKKBXQUZBZ-ZETCQYMHSA-N	-1	0	282.247	0.543	20	30		CCEDRM
N#CC1(C(=O)NCCOCC(=O)[O-])CCCCC1	ZINC000902295392	634360619	/nfs/dbraw/zinc/36/06/19/634360619.db2.gz	FXSBQSITGGYRLY-UHFFFAOYSA-N	-1	0	254.286	0.678	20	30		CCEDRM
N#Cc1ccsc1C(=O)N=c1nn[n-]n1C1CC1	ZINC000905838884	634910235	/nfs/dbraw/zinc/91/02/35/634910235.db2.gz	LEZGWMPQQRERSM-UHFFFAOYSA-N	-1	0	260.282	0.615	20	30		CCEDRM
CC(C)(C#N)CS(=O)(=O)N1CC(C)(C)[C@H]1C(=O)[O-]	ZINC000905998464	634946435	/nfs/dbraw/zinc/94/64/35/634946435.db2.gz	YQFDDMHTOZPWFK-MRVPVSSYSA-N	-1	0	274.342	0.661	20	30		CCEDRM
N#CC1CN(S(=O)(=O)c2cc(C(=O)[O-])cs2)C1	ZINC000906997203	635060187	/nfs/dbraw/zinc/06/01/87/635060187.db2.gz	LDYOWYVOBQIMAG-UHFFFAOYSA-N	-1	0	272.307	0.590	20	30		CCEDRM
N#CC1CN(S(=O)(=O)c2ccc(F)c(C(=O)[O-])c2)C1	ZINC000906998609	635060551	/nfs/dbraw/zinc/06/05/51/635060551.db2.gz	PNFYNHRJKCDMPP-UHFFFAOYSA-N	-1	0	284.268	0.668	20	30		CCEDRM
N#CC1(C(=O)N2CCO[C@H](C(=O)[O-])C2)CCSCC1	ZINC000907588464	635161373	/nfs/dbraw/zinc/16/13/73/635161373.db2.gz	LBYNLENSVUTZPY-VIFPVBQESA-N	-1	0	284.337	0.335	20	30		CCEDRM
O=C([O-])[C@]1(C(=O)NCC#CCO)C[C@H]1c1ccccc1	ZINC000907827318	635216232	/nfs/dbraw/zinc/21/62/32/635216232.db2.gz	ZDGBSQMUDFIOOR-SWLSCSKDSA-N	-1	0	273.288	0.357	20	30		CCEDRM
C=C[C@](C)(O)C(=O)Nc1nc(CC(=O)[O-])cs1	ZINC000908579516	635414748	/nfs/dbraw/zinc/41/47/48/635414748.db2.gz	JMNAEASZUVJGMM-JTQLQIEISA-N	-1	0	256.283	0.646	20	30		CCEDRM
C#CCSCCNC(=O)N[C@@H](CSC)C(=O)[O-]	ZINC000909051944	635504708	/nfs/dbraw/zinc/50/47/08/635504708.db2.gz	IWTPDXFZAURWBS-QMMMGPOBSA-N	-1	0	276.383	0.468	20	30		CCEDRM
C#CCSCCNC(=O)N(C)[C@@H](COCC)C(=O)[O-]	ZINC000909051934	635504802	/nfs/dbraw/zinc/50/48/02/635504802.db2.gz	IJNCGRUMTHLQCZ-JTQLQIEISA-N	-1	0	288.369	0.484	20	30		CCEDRM
C[C@H]1C(=O)N([N-]C(=O)c2ccsc2C#N)C(=O)N1C	ZINC000912817502	636683586	/nfs/dbraw/zinc/68/35/86/636683586.db2.gz	WXQDYJMDQKCVLI-LURJTMIESA-N	-1	0	278.293	0.547	20	30		CCEDRM
C=CCCOCCNC(=O)N[C@@H](C(=O)[O-])C1CC1	ZINC000231837565	637230655	/nfs/dbraw/zinc/23/06/55/637230655.db2.gz	WVDXNQUMMSXKLN-SNVBAGLBSA-N	-1	0	256.302	0.742	20	30		CCEDRM
C[C@@H](CO)N(C)N=Cc1cc([O-])ccc1[N+](=O)[O-]	ZINC000842539677	637337408	/nfs/dbraw/zinc/33/74/08/637337408.db2.gz	CSYFUUALRJXFED-QMMMGPOBSA-N	-1	0	253.258	0.947	20	30		CCEDRM
Cc1ccc(NN=C2C(=O)[N-]C(=O)NC2=O)c(Cl)c1	ZINC000916626689	637911544	/nfs/dbraw/zinc/91/15/44/637911544.db2.gz	WYUFXCMPBYQNOH-UHFFFAOYSA-N	-1	0	280.671	0.782	20	30		CCEDRM
CCCSCC(=O)[N-]S(=O)(=O)CCCC#N	ZINC000181265063	638327981	/nfs/dbraw/zinc/32/79/81/638327981.db2.gz	WUMZYOVPBWJOST-UHFFFAOYSA-N	-1	0	264.372	0.879	20	30		CCEDRM
COC[C@H](C)S(=O)(=O)[N-]C(=O)c1c(C)noc1C	ZINC000073839080	639836250	/nfs/dbraw/zinc/83/62/50/639836250.db2.gz	RJLQFLSXSASAQF-LURJTMIESA-N	-1	0	276.314	0.961	20	30		CCEDRM
N#C[C@]1(C(=O)N[C@H](CC2CC2)C(=O)[O-])CCCOC1	ZINC000923101499	640022373	/nfs/dbraw/zinc/02/23/73/640022373.db2.gz	GABWLURMXFSUIO-ZWNOBZJWSA-N	-1	0	266.297	0.676	20	30		CCEDRM
C[C@@H](C(=O)[N-]O[C@@H]1CCCCO1)n1cnc(C#N)n1	ZINC000798941816	640534144	/nfs/dbraw/zinc/53/41/44/640534144.db2.gz	JDFAVQBYKKYRJV-WCBMZHEXSA-N	-1	0	265.273	0.285	20	30		CCEDRM
C[C@H](C#N)OCCN1CCC[C@H](c2n[nH]c(=O)[n-]2)C1	ZINC000808777428	640878849	/nfs/dbraw/zinc/87/88/49/640878849.db2.gz	NCTSYMITMKRLKQ-ZJUUUORDSA-N	-1	0	265.317	0.618	20	30		CCEDRM
N#Cc1cccc(C(=O)[N-]S(=O)(=O)C[C@H]2CCCO2)n1	ZINC000810663924	640943960	/nfs/dbraw/zinc/94/39/60/640943960.db2.gz	JVCLEPQQJDBSIO-SNVBAGLBSA-N	-1	0	295.320	0.192	20	30		CCEDRM
CC#CCS(=O)(=O)[N-]C(=O)c1cn(CCC(C)C)nn1	ZINC000810777596	640949397	/nfs/dbraw/zinc/94/93/97/640949397.db2.gz	FYIGXMJFMHTUKE-UHFFFAOYSA-N	-1	0	298.368	0.407	20	30		CCEDRM
Cn1cc([N-]S(=O)(=O)c2cccc(CC#N)c2)nn1	ZINC000812272042	640997373	/nfs/dbraw/zinc/99/73/73/640997373.db2.gz	BIDHOXKPQKLLTO-UHFFFAOYSA-N	-1	0	277.309	0.682	20	30		CCEDRM
N#CCCCC(=O)[N-]S(=O)(=O)C[C@H]1CCCCO1	ZINC000813064384	641020248	/nfs/dbraw/zinc/02/02/48/641020248.db2.gz	HVBPEUIMUFHRAJ-SNVBAGLBSA-N	-1	0	274.342	0.695	20	30		CCEDRM
N#Cc1cncc(S(=O)(=O)[N-]C(=O)[C@H]2C[C@H]2C2CC2)c1	ZINC000813985254	641051970	/nfs/dbraw/zinc/05/19/70/641051970.db2.gz	SPJZYBSALOFOEU-RYUDHWBXSA-N	-1	0	291.332	0.804	20	30		CCEDRM
O=c1[n-][nH]c(=O)n1N=Cc1c[nH]c2ccc([N+](=O)[O-])cc12	ZINC000814231227	641060992	/nfs/dbraw/zinc/06/09/92/641060992.db2.gz	ACBJXJFLXNYRRT-UHFFFAOYSA-N	-1	0	288.223	0.961	20	30		CCEDRM
O=c1[n-][nH]c(=O)n1N=Cc1cc2c(cc1O)OCO2	ZINC000814231870	641061945	/nfs/dbraw/zinc/06/19/45/641061945.db2.gz	QFJRPCPKOZEGNE-UHFFFAOYSA-N	-1	0	264.197	0.006	20	30		CCEDRM
C[C@@H](O)CNN=Cc1cccc(OCCC(=O)[O-])c1	ZINC000814960682	641084471	/nfs/dbraw/zinc/08/44/71/641084471.db2.gz	BEOZPXBMGDOUQE-SNVBAGLBSA-N	-1	0	266.297	0.844	20	30		CCEDRM
N#Cc1cscc1C(=O)N1CCO[C@@H](c2nnn[n-]2)C1	ZINC000815519939	641114806	/nfs/dbraw/zinc/11/48/06/641114806.db2.gz	MHNRLHLNYBNFPJ-SECBINFHSA-N	-1	0	290.308	0.347	20	30		CCEDRM
N#CC1(CC(=O)[N-]S(=O)(=O)C[C@H]2CCCOC2)CC1	ZINC000816082666	641139496	/nfs/dbraw/zinc/13/94/96/641139496.db2.gz	LYMLMILGCFKEAZ-JTQLQIEISA-N	-1	0	286.353	0.553	20	30		CCEDRM
N#CCCCS(=O)(=O)[N-]C(=O)/C=C\[C@@H]1CCCO1	ZINC000820510401	641512585	/nfs/dbraw/zinc/51/25/85/641512585.db2.gz	UGWLPPXHUAFNGD-OMMCCPJFSA-N	-1	0	272.326	0.471	20	30		CCEDRM
COc1ccsc1C(=O)[N-]S(=O)(=O)CCC#N	ZINC000821582626	641611078	/nfs/dbraw/zinc/61/10/78/641611078.db2.gz	SIJDULJOUVIQGJ-UHFFFAOYSA-N	-1	0	274.323	0.730	20	30		CCEDRM
C#C[C@H](NC(=O)c1cccc(-n2[n-]nnc2=N)c1)C(C)(C)C	ZINC000822959003	641720203	/nfs/dbraw/zinc/72/02/03/641720203.db2.gz	BPZSTYNCVWOLPH-LBPRGKRZSA-N	-1	0	298.350	0.853	20	30		CCEDRM
CC#CC(=O)N1CC[C@@](C)([N-]C(=O)C(F)(F)F)C1	ZINC000830807163	642295489	/nfs/dbraw/zinc/29/54/89/642295489.db2.gz	DABHAUPPDAVNCH-SNVBAGLBSA-N	-1	0	262.231	0.679	20	30		CCEDRM
N#CCCS(=O)(=O)[N-]C(=O)[C@H]1CCCCS1	ZINC000835409520	642660664	/nfs/dbraw/zinc/66/06/64/642660664.db2.gz	ZGTGHFSOAWUILY-MRVPVSSYSA-N	-1	0	262.356	0.632	20	30		CCEDRM
CC#CC[C@@H](NS(=O)(=O)c1c[nH]nc1Cl)C(=O)[O-]	ZINC000837287347	642734328	/nfs/dbraw/zinc/73/43/28/642734328.db2.gz	CVUCNSLWFIKMLD-ZCFIWIBFSA-N	-1	0	291.716	0.208	20	30		CCEDRM
Cc1cc(S(=O)(=O)NC[C@@H](F)C(=O)[O-])ccc1C#N	ZINC000837295492	642735508	/nfs/dbraw/zinc/73/55/08/642735508.db2.gz	UHDJGLDUYDZDTJ-SNVBAGLBSA-N	-1	0	286.284	0.568	20	30		CCEDRM
O=C([O-])c1cc(C=NN2CCC[C@H]2CO)ccc1O	ZINC000841657192	642828763	/nfs/dbraw/zinc/82/87/63/642828763.db2.gz	IFTMMDSDIFPBSK-JTQLQIEISA-N	-1	0	264.281	0.881	20	30		CCEDRM
O=C([O-])COc1ccccc1C=NN1CCC[C@@H]1CO	ZINC000841660785	642829085	/nfs/dbraw/zinc/82/90/85/642829085.db2.gz	HSFXKWGPVIIDAN-GFCCVEGCSA-N	-1	0	278.308	0.941	20	30		CCEDRM
N#CC(C(=O)NC1CC1)=C([O-])c1cn(C2CCC2)nn1	ZINC000842685162	642932503	/nfs/dbraw/zinc/93/25/03/642932503.db2.gz	RDQJLXLBHWWBGO-JTQLQIEISA-N	-1	0	273.296	0.604	20	30		CCEDRM
O=C([O-])C#CC1CCN(S(=O)(=O)Cc2ccon2)CC1	ZINC000844815000	643249433	/nfs/dbraw/zinc/24/94/33/643249433.db2.gz	IKPCOAPJAABRPR-UHFFFAOYSA-N	-1	0	298.320	0.304	20	30		CCEDRM
O=C([O-])C#CC1CCN(S(=O)(=O)CCCCF)CC1	ZINC000844816129	643250051	/nfs/dbraw/zinc/25/00/51/643250051.db2.gz	ODKFWCXHJAIPPR-UHFFFAOYSA-N	-1	0	291.344	0.866	20	30		CCEDRM
N#Cc1c[n-]c(=O)n(CCC2SCCS2)c1=O	ZINC000853020831	644067711	/nfs/dbraw/zinc/06/77/11/644067711.db2.gz	AJZLYKAGADZMMY-UHFFFAOYSA-N	-1	0	269.351	0.604	20	30		CCEDRM
C[C@@H](CO)NN=C1C(=O)Nc2cc([O-])c(Cl)cc21	ZINC000853314934	644098044	/nfs/dbraw/zinc/09/80/44/644098044.db2.gz	PVASYDQFZJLIQF-YFKPBYRVSA-N	-1	0	269.688	0.672	20	30		CCEDRM
N#CC(C(=O)N1CCCC1)=C([O-])c1cn(C2CC2)nn1	ZINC000860461471	644803350	/nfs/dbraw/zinc/80/33/50/644803350.db2.gz	IWFCMCWHYLQCAY-SNVBAGLBSA-N	-1	0	273.296	0.558	20	30		CCEDRM
N#Cc1cccc(O[N-]C(=O)[C@@H]2CCS(=O)(=O)C2)c1	ZINC000870693446	646018616	/nfs/dbraw/zinc/01/86/16/646018616.db2.gz	HVHWGSQCBKSRGQ-SNVBAGLBSA-N	-1	0	280.305	0.403	20	30		CCEDRM
C#CCC(C)(C)C(=O)Nc1ccc(-n2nn[n-]c2=O)cc1	ZINC000194303187	649576083	/nfs/dbraw/zinc/57/60/83/649576083.db2.gz	HFRCAOGPWRGSDE-UHFFFAOYSA-N	-1	0	285.307	0.944	20	30		CCEDRM
CN(CC#N)C(=O)Cn1c(=O)c2ccccc2[n-]c1=S	ZINC000194741647	649585181	/nfs/dbraw/zinc/58/51/81/649585181.db2.gz	VCONPYZQWQJUEW-UHFFFAOYSA-N	-1	0	288.332	0.667	20	30		CCEDRM
C=CCN(CC(=O)[O-])C(=O)c1cc(C)nn1CC	ZINC000092463268	649723804	/nfs/dbraw/zinc/72/38/04/649723804.db2.gz	ZBJHHIJJZVKSAJ-UHFFFAOYSA-N	-1	0	251.286	0.924	20	30		CCEDRM
C=CCN(CC(=O)[O-])C(=O)c1ccc2c(c1)OCC(=O)N2	ZINC000092461862	649723835	/nfs/dbraw/zinc/72/38/35/649723835.db2.gz	MEPBGEUTNOLMMZ-UHFFFAOYSA-N	-1	0	290.275	0.730	20	30		CCEDRM
C=CCN(CC(=O)[O-])C(=O)c1cc([N+](=O)[O-])cn1C	ZINC000092463665	649724400	/nfs/dbraw/zinc/72/44/00/649724400.db2.gz	HIXBYVLOEUKYOS-UHFFFAOYSA-N	-1	0	267.241	0.646	20	30		CCEDRM
N#CCN1CC[C@H](Oc2nc(Cl)[n-]c(=O)n2)C1	ZINC001230240912	805588326	/nfs/dbraw/zinc/58/83/26/805588326.db2.gz	RETVELXIMRFUTE-LURJTMIESA-N	-1	0	255.665	0.207	20	30		CCEDRM
Cc1ccc(NC(=N[O-])c2nonc2N)cc1CO	ZINC001210246127	790841749	/nfs/dbraw/zinc/84/17/49/790841749.db2.gz	RFWJWKFJVGZVRJ-UHFFFAOYSA-N	-1	0	263.257	0.700	20	30		CCEDRM
C=C(Br)CN1CC[C@](O)(C(=O)[O-])C1	ZINC000706469652	790959407	/nfs/dbraw/zinc/95/94/07/790959407.db2.gz	XTBLNAIVOCOOCI-MRVPVSSYSA-N	-1	0	250.092	0.416	20	30		CCEDRM
Nc1nonc1C(=Nc1ccccc1C(=O)[O-])NO	ZINC001210969049	791009487	/nfs/dbraw/zinc/00/94/87/791009487.db2.gz	GDEVQEHWSYBZRP-UHFFFAOYSA-N	-1	0	263.213	0.407	20	30		CCEDRM
N#Cc1cccc2c(OC(=O)[C@@H](O)CC(=O)[O-])ncnc12	ZINC001231040303	805715568	/nfs/dbraw/zinc/71/55/68/805715568.db2.gz	MZTIRYVBKCQKJM-VIFPVBQESA-N	-1	0	287.231	0.242	20	30		CCEDRM
N#C[C@@H]1COCCN1Cc1ccc(C(=O)[O-])cc1O	ZINC001231454720	805805734	/nfs/dbraw/zinc/80/57/34/805805734.db2.gz	UIOCEMGMOQJCLN-LLVKDONJSA-N	-1	0	262.265	0.815	20	30		CCEDRM
N#Cc1ccc2c(c1)ncnc2N[C@@H]1CO[N-]C1=O	ZINC001167510817	791497116	/nfs/dbraw/zinc/49/71/16/791497116.db2.gz	AWCCRJNHSIDMTE-SNVBAGLBSA-N	-1	0	255.237	0.343	20	30		CCEDRM
N#Cc1ccc2ncc(N[C@@H]3CO[N-]C3=O)nc2c1	ZINC001167514181	791502474	/nfs/dbraw/zinc/50/24/74/791502474.db2.gz	UNJQIFYCIDCUIQ-SNVBAGLBSA-N	-1	0	255.237	0.343	20	30		CCEDRM
N#Cc1cc(Br)cc(N[C@@H]2CO[N-]C2=O)n1	ZINC001167522592	791508265	/nfs/dbraw/zinc/50/82/65/791508265.db2.gz	KGUSEBWLKKHTHU-SSDOTTSWSA-N	-1	0	283.085	0.558	20	30		CCEDRM
CC(=NO)c1ccc(OC(=O)[C@@H](O)CC(=O)[O-])cc1	ZINC001234083618	806180211	/nfs/dbraw/zinc/18/02/11/806180211.db2.gz	PNBHGRCNBCEQFN-JTQLQIEISA-N	-1	0	267.237	0.626	20	30		CCEDRM
CC(C)C#CC(=O)N(C)C[C@@H]1CCN1Cc1n[nH]c(=O)[n-]1	ZINC001234162584	806194354	/nfs/dbraw/zinc/19/43/54/806194354.db2.gz	UDTFOVRLUXHXQF-NSHDSACASA-N	-1	0	291.355	0.202	20	30		CCEDRM
COC(=O)c1n[n-]c(C(=O)OC)c1O[C@H](C)CS	ZINC001234194307	806202740	/nfs/dbraw/zinc/20/27/40/806202740.db2.gz	NVTQKOZAYBLWIB-RXMQYKEDSA-N	-1	0	274.298	0.680	20	30		CCEDRM
CC[C@H](O)C(=O)Oc1[n-]c(=O)nc2cccc(C#N)c21	ZINC001234511379	806266289	/nfs/dbraw/zinc/26/62/89/806266289.db2.gz	OGUCNIGWAXEVTG-VIFPVBQESA-N	-1	0	273.248	0.883	20	30		CCEDRM
C=CCn1c(-c2cc(=O)[nH][n-]2)nnc1N1C[C@@H](C)[C@H](C)C1	ZINC001121561750	799057184	/nfs/dbraw/zinc/05/71/84/799057184.db2.gz	NINDFBIWAKGCNR-NXEZZACHSA-N	-1	0	288.355	0.780	20	30		CCEDRM
C#CCN(C)c1nnc(-c2cc(=O)n(C)[n-]2)n1CC=C	ZINC001121644642	799062446	/nfs/dbraw/zinc/06/24/46/799062446.db2.gz	UNXXAGHBJLJRHG-UHFFFAOYSA-N	-1	0	272.312	0.640	20	30		CCEDRM
Cn1nc(C([O-])=C(C#N)C(=O)NC2CC2)cc1OC(F)F	ZINC001122415721	799227627	/nfs/dbraw/zinc/22/76/27/799227627.db2.gz	ZKSVHCLWMNCGEV-ZETCQYMHSA-N	-1	0	298.249	0.623	20	30		CCEDRM
N#CC(C(=O)N1CCCC1)=C([O-])c1ccc(C(N)=O)o1	ZINC001122499208	799249917	/nfs/dbraw/zinc/24/99/17/799249917.db2.gz	FIDMACIGZSXMDR-QMMMGPOBSA-N	-1	0	275.264	0.323	20	30		CCEDRM
C#Cc1ccc(C(=O)N2CCC[C@H](Cc3nnn[n-]3)C2)nc1	ZINC001123915396	799503478	/nfs/dbraw/zinc/50/34/78/799503478.db2.gz	VITFRXVQHCHVLS-GFCCVEGCSA-N	-1	0	296.334	0.671	20	30		CCEDRM
C[C@@H](CO[N-]C(=O)CC#N)NC(=O)OC(C)(C)C	ZINC001137598663	799675397	/nfs/dbraw/zinc/67/53/97/799675397.db2.gz	QWHRNDHNXQHSKX-QMMMGPOBSA-N	-1	0	257.290	0.861	20	30		CCEDRM
O=C(N[C@@H]1CCN(O)C1=O)c1ccc(-c2c[nH]cn2)cc1	ZINC001141380311	800003418	/nfs/dbraw/zinc/00/34/18/800003418.db2.gz	LPNQKBCDHDQPMZ-LLVKDONJSA-N	-1	0	286.291	0.797	20	30		CCEDRM
C#CCOCCC(=O)Nc1ccc([O-])c(S(N)(=O)=O)c1	ZINC001153032479	800583980	/nfs/dbraw/zinc/58/39/80/800583980.db2.gz	DCFLMWAXUSJZRL-UHFFFAOYSA-N	-1	0	298.320	0.018	20	30		CCEDRM
CC[C@@](C)(C#N)C(=O)NCCc1n[n-]c(=S)o1	ZINC001154907519	800866114	/nfs/dbraw/zinc/86/61/14/800866114.db2.gz	RWVBNFVIMSWCMU-JTQLQIEISA-N	-1	0	254.315	0.957	20	30		CCEDRM
N#Cc1c(Cl)ncnc1N[C@H]1SC(=O)[N-]C1=O	ZINC001155836749	801062413	/nfs/dbraw/zinc/06/24/13/801062413.db2.gz	GJESUBYSEZQFEQ-ZETCQYMHSA-N	-1	0	269.673	0.723	20	30		CCEDRM
N#Cc1ccc2ccnc(N[C@@H]3CO[N-]C3=O)c2c1	ZINC001156691364	801213678	/nfs/dbraw/zinc/21/36/78/801213678.db2.gz	PLDATUZBVUZHFX-LLVKDONJSA-N	-1	0	254.249	0.948	20	30		CCEDRM
C#C[C@H](CO)NC(=O)c1ccc2[n-]c(=S)oc2c1	ZINC001159762793	801865624	/nfs/dbraw/zinc/86/56/24/801865624.db2.gz	QACLNQZBGJAPQI-MRVPVSSYSA-N	-1	0	262.290	0.840	20	30		CCEDRM
C#Cc1cnc([N-]S(=O)(=O)CC(C)C)c(C#C)n1	ZINC001259879510	808791365	/nfs/dbraw/zinc/79/13/65/808791365.db2.gz	QSSFTOOYSOSPFE-UHFFFAOYSA-N	-1	0	263.322	0.837	20	30		CCEDRM
C#Cc1cccnc1[N-]S(=O)(=O)C1CCOCC1	ZINC001259908111	808797434	/nfs/dbraw/zinc/79/74/34/808797434.db2.gz	WNCKINNJMWNYNE-UHFFFAOYSA-N	-1	0	266.322	0.984	20	30		CCEDRM
CC[C@H](C)[C@H]([N-]S(=O)(=O)C(F)F)C(=O)NO	ZINC001259964780	808828321	/nfs/dbraw/zinc/82/83/21/808828321.db2.gz	IJAYKZRUJSWAJT-WHFBIAKZSA-N	-1	0	260.262	0.049	20	30		CCEDRM
CC(C)O[N-]C(=O)CNS(=O)(=O)c1ccc(C#N)cc1	ZINC001261496857	808998547	/nfs/dbraw/zinc/99/85/47/808998547.db2.gz	GDXLUQXKZGMDTD-UHFFFAOYSA-N	-1	0	297.336	0.293	20	30		CCEDRM
N#Cc1nc(NC(=O)c2cc(=O)cc[nH]2)[n-]c1C#N	ZINC001163744377	802603938	/nfs/dbraw/zinc/60/39/38/802603938.db2.gz	QLIOJWVQMMVQIM-UHFFFAOYSA-N	-1	0	254.209	0.094	20	30		CCEDRM
CC1(NC(=O)Cn2cc(C#N)c(=O)[n-]c2=O)CC=CC1	ZINC001164129234	802672742	/nfs/dbraw/zinc/67/27/42/802672742.db2.gz	GBPCMAJOPGLHNV-UHFFFAOYSA-N	-1	0	274.280	0.045	20	30		CCEDRM
C=C[C@@H](C)[C@@H](C)C(=O)NCCC[NH2+]Cc1n[nH]c(=O)[n-]1	ZINC001164221790	802690292	/nfs/dbraw/zinc/69/02/92/802690292.db2.gz	FEICPUFPZUJRLL-NXEZZACHSA-N	-1	0	281.360	0.564	20	30		CCEDRM
C[C@H](C#N)S(=O)(=O)[N-]c1cnc(Br)cn1	ZINC000088474360	803478483	/nfs/dbraw/zinc/47/84/83/803478483.db2.gz	JROKKZBNIFVAQV-RXMQYKEDSA-N	-1	0	291.130	0.893	20	30		CCEDRM
C=CCC[C@H](NC(=O)N[C@@H]1CO[C@H](C)C1)C(=O)[O-]	ZINC000401939583	803808168	/nfs/dbraw/zinc/80/81/68/803808168.db2.gz	RFXYYGCEHJKICN-UTLUCORTSA-N	-1	0	256.302	0.882	20	30		CCEDRM
COc1ccc(OC)c(/C(=N/[O-])OC(=O)[C@H](C)O)c1	ZINC001223893670	804995514	/nfs/dbraw/zinc/99/55/14/804995514.db2.gz	YOKJHJPNGYVZFA-OJAWZFAXSA-N	-1	0	269.253	0.764	20	30		CCEDRM
C=C[C@H](CCCCC)Oc1c([O-])c(=O)c(=O)c1=O	ZINC001225832110	805168151	/nfs/dbraw/zinc/16/81/51/805168151.db2.gz	CJUALCIOUACXAP-MRVPVSSYSA-N	-1	0	252.266	0.862	20	30		CCEDRM
N#Cc1c(F)cccc1OC(=O)[C@H](O)CC(=O)[O-]	ZINC001225976567	805183004	/nfs/dbraw/zinc/18/30/04/805183004.db2.gz	ZVSAYZUSEXVHCV-MRVPVSSYSA-N	-1	0	253.185	0.438	20	30		CCEDRM
C#C[C@@H](Oc1[n-]c(=O)ncc1[N+](=O)[O-])C(=O)OCC	ZINC001226336863	805222138	/nfs/dbraw/zinc/22/21/38/805222138.db2.gz	RUCZPZXQDCVOEA-SSDOTTSWSA-N	-1	0	267.197	0.034	20	30		CCEDRM
Cc1nc(OC2CN(CCC#N)C2)c(F)c(=O)[n-]1	ZINC001226423575	805229907	/nfs/dbraw/zinc/22/99/07/805229907.db2.gz	JSFWAPWKVZNFEL-UHFFFAOYSA-N	-1	0	252.249	0.606	20	30		CCEDRM
N#Cc1nc2ccc(OC(=O)[C@H](O)CC(=O)[O-])cc2s1	ZINC001226670940	805263228	/nfs/dbraw/zinc/26/32/28/805263228.db2.gz	CHPAPCWXORXZMO-MRVPVSSYSA-N	-1	0	292.272	0.909	20	30		CCEDRM
C=C(C)C(=O)OC[C@@H](C)Oc1[n-]c(=O)nc2nc[nH]c21	ZINC001227068725	805318615	/nfs/dbraw/zinc/31/86/15/805318615.db2.gz	CKNCBTTVJFRYAJ-SSDOTTSWSA-N	-1	0	278.268	0.945	20	30		CCEDRM
CC(C)C#CC(=O)NC1CCN(Cc2n[nH]c(=O)[n-]2)CC1	ZINC001227244761	805335122	/nfs/dbraw/zinc/33/51/22/805335122.db2.gz	SMBVHQLPXGLSNO-UHFFFAOYSA-N	-1	0	291.355	0.250	20	30		CCEDRM
N#Cc1ccc(OC(=O)[C@@H](O)CC(=O)[O-])cc1C#N	ZINC001228260280	805424462	/nfs/dbraw/zinc/42/44/62/805424462.db2.gz	QZAQCVYRNCGKPM-JTQLQIEISA-N	-1	0	260.205	0.171	20	30		CCEDRM
CC[C@H](C#CC(=O)OC)Oc1nc(O)cc(=O)[n-]1	ZINC001228393212	805443910	/nfs/dbraw/zinc/44/39/10/805443910.db2.gz	XTVUCEVVWSDVCT-SSDOTTSWSA-N	-1	0	252.226	0.222	20	30		CCEDRM
C=CCCCNC(=S)NCC[P@](=O)([O-])O	ZINC001247783802	807490664	/nfs/dbraw/zinc/49/06/64/807490664.db2.gz	ZKHCYGQFVOOSAS-UHFFFAOYSA-N	-1	0	252.276	0.594	20	30		CCEDRM
C=C[C@H]1C[C@]1([N-]S(=O)(=O)C(F)(F)F)C(=O)OCC	ZINC001252385917	807817983	/nfs/dbraw/zinc/81/79/83/807817983.db2.gz	HHJNJRGNMKXMQR-POYBYMJQSA-N	-1	0	287.259	0.933	20	30		CCEDRM
C=C[C@@H](O)C[NH2+]C1(P(=O)([O-])[O-])Cc2ccccc2C1	ZINC001253601161	808095256	/nfs/dbraw/zinc/09/52/56/808095256.db2.gz	LJTASRIVJDJWKT-GFCCVEGCSA-N	-1	0	283.264	0.796	20	30		CCEDRM
CSc1[n-]c(=O)c(C(=O)NCCOC(N)=O)cc1C#N	ZINC001254520535	808252996	/nfs/dbraw/zinc/25/29/96/808252996.db2.gz	DYUZJMNFCNFEBP-UHFFFAOYSA-N	-1	0	296.308	0.620	20	30		CCEDRM
Cn1cc([N-]S(=O)(=O)c2ccccc2C#N)c(C#N)n1	ZINC001258208375	808663922	/nfs/dbraw/zinc/66/39/22/808663922.db2.gz	NAIQRPLYLKGCQR-UHFFFAOYSA-N	-1	0	287.304	0.964	20	30		CCEDRM
N#Cc1cc(S(=O)(=O)NCc2cc(=O)[n-]o2)ccc1F	ZINC001259420682	808757560	/nfs/dbraw/zinc/75/75/60/808757560.db2.gz	DQFOGZWWYCJEMS-UHFFFAOYSA-N	-1	0	297.267	0.869	20	30		CCEDRM
Cn1cnc([N-]S(=O)(=O)c2ccc(F)c(C#N)c2)n1	ZINC001259410960	808757629	/nfs/dbraw/zinc/75/76/29/808757629.db2.gz	IZTNKFOZRFPQHX-UHFFFAOYSA-N	-1	0	281.272	0.627	20	30		CCEDRM
Cn1ccc(S(=O)(=O)[N-]c2cc(F)cnc2C#N)n1	ZINC001259938146	808812080	/nfs/dbraw/zinc/81/20/80/808812080.db2.gz	GGUPKKUTVAQKLJ-UHFFFAOYSA-N	-1	0	281.272	0.627	20	30		CCEDRM
Cn1ccc(S(=O)(=O)[N-]c2ccc(C#N)cc2O)n1	ZINC001259944276	808815127	/nfs/dbraw/zinc/81/51/27/808815127.db2.gz	NAEBGYIZLZUWDD-UHFFFAOYSA-N	-1	0	278.293	0.798	20	30		CCEDRM
C#Cc1cc([N-]S(=O)(=O)c2cn(C)c(C)n2)ccn1	ZINC001260542201	808862189	/nfs/dbraw/zinc/86/21/89/808862189.db2.gz	PCMZOMWPLVBOSR-UHFFFAOYSA-N	-1	0	276.321	0.328	20	30		CCEDRM
CS(=O)(=O)CS(=O)(=O)[N-]c1cc(F)ccc1C#N	ZINC001260590581	808870804	/nfs/dbraw/zinc/87/08/04/808870804.db2.gz	JLJQBHZFMVBWIS-UHFFFAOYSA-N	-1	0	292.313	0.441	20	30		CCEDRM
C[C@H]1C(=O)N([N-]C(=O)c2csc(C#N)c2)C(=O)N1C	ZINC001262152211	809207008	/nfs/dbraw/zinc/20/70/08/809207008.db2.gz	LIWJMGDHPUKAES-LURJTMIESA-N	-1	0	278.293	0.547	20	30		CCEDRM
Cc1nnc([S-])n(N=Cc2cnn(CCF)c2)c1=O	ZINC001262167402	809215672	/nfs/dbraw/zinc/21/56/72/809215672.db2.gz	LHHMJQUSRSCABF-UHFFFAOYSA-N	-1	0	282.304	0.284	20	30		CCEDRM
C=CCN(c1nnc(Cc2nn[nH]n2)n1CC=C)C1CC1	ZINC001262953602	809424419	/nfs/dbraw/zinc/42/44/19/809424419.db2.gz	WOYXNPRQPSEWMP-UHFFFAOYSA-N	-1	0	286.343	0.723	20	30		CCEDRM
C#CCO[C@H](C)C(=O)N1CC[C@H]([C@H](F)C(=O)[O-])C1	ZINC001263632378	809545321	/nfs/dbraw/zinc/54/53/21/809545321.db2.gz	NHIFJSHQACHMHD-UTLUCORTSA-N	-1	0	257.261	0.296	20	30		CCEDRM
C[C@]1(C#N)CN(S(=O)(=O)c2ccccc2[O-])CCO1	ZINC000907499015	815537913	/nfs/dbraw/zinc/53/79/13/815537913.db2.gz	WIYXSCSNUXEIFI-LBPRGKRZSA-N	-1	0	282.321	0.695	20	30		CCEDRM
C[C@H](CN(C)CC#N)NC(=O)c1ccc2oc(=O)nc-2[n-]1	ZINC001268750481	813062786	/nfs/dbraw/zinc/06/27/86/813062786.db2.gz	BIYFUALHMXZDPZ-MRVPVSSYSA-N	-1	0	289.295	0.502	20	30		CCEDRM
Cc1[nH]nc(C(=O)N2CC[C@H]3CN(CC#N)C[C@H]32)c1[O-]	ZINC001075693710	813340445	/nfs/dbraw/zinc/34/04/45/813340445.db2.gz	VILAQWXHNXFMBA-VHSXEESVSA-N	-1	0	275.312	0.094	20	30		CCEDRM
C#C[C@H](Oc1c([O-])c(=O)c(=O)c1=O)c1ccccc1	ZINC001225832476	813623148	/nfs/dbraw/zinc/62/31/48/813623148.db2.gz	FGLKHKKNOUEORO-VIFPVBQESA-N	-1	0	256.213	0.102	20	30		CCEDRM
Cc1ccc(C#N)c(OC(=O)[C@H](O)CCC(=O)[O-])c1	ZINC001226753511	814123843	/nfs/dbraw/zinc/12/38/43/814123843.db2.gz	GEKXIJYJWZUEHA-SNVBAGLBSA-N	-1	0	263.249	0.998	20	30		CCEDRM
CN1CC[C@@]2(CCN(C(=O)c3ccc(C#N)cc3[O-])C2)C1=O	ZINC001271838418	814605133	/nfs/dbraw/zinc/60/51/33/814605133.db2.gz	NCHHHFQIDQQYHN-INIZCTEOSA-N	-1	0	299.330	0.958	20	30		CCEDRM
N#Cc1ccnc(NC(=N)SCCS(=O)(=O)[O-])c1	ZINC001168088579	814613040	/nfs/dbraw/zinc/61/30/40/814613040.db2.gz	MMSWPDPZRMTHAJ-UHFFFAOYSA-N	-1	0	286.338	0.921	20	30		CCEDRM
C#C[C@H](C)OC(=O)Cc1c(C)nc2cc[n-]n2c1=O	ZINC000174467773	814748148	/nfs/dbraw/zinc/74/81/48/814748148.db2.gz	GKDCUHQYDXZDTN-QMMMGPOBSA-N	-1	0	259.265	0.438	20	30		CCEDRM
N#CCN1CC(NC(=O)c2n[n-]c3ccccc3c2=O)C1	ZINC001031034969	816586772	/nfs/dbraw/zinc/58/67/72/816586772.db2.gz	HITVOUIJKSETFY-UHFFFAOYSA-N	-1	0	283.291	0.273	20	30		CCEDRM
C#C[C@H]1CCCN(S(=O)(=O)c2cc(C(=O)[O-])n(C)c2)C1	ZINC000692286680	817838715	/nfs/dbraw/zinc/83/87/15/817838715.db2.gz	GPXWLHGLLYQHHL-JTQLQIEISA-N	-1	0	296.348	0.757	20	30		CCEDRM
CC#CCN1CC[C@H](N(C)C(=O)c2n[nH]c(C)c2[O-])C1	ZINC001033016142	818426536	/nfs/dbraw/zinc/42/65/36/818426536.db2.gz	QKPZBQDSTIXDPK-NSHDSACASA-N	-1	0	276.340	0.593	20	30		CCEDRM
C=CC[C@@H](NC(=O)N[C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@H]12)C(=O)[O-]	ZINC001120002761	821472422	/nfs/dbraw/zinc/47/24/22/821472422.db2.gz	AWMBZYQZFPXUIK-AKKLPLMASA-N	-1	0	266.297	0.491	20	30		CCEDRM
N#CC1(CS(=O)(=O)[N-]C(=O)CCc2nccs2)CC1	ZINC000793203817	837407115	/nfs/dbraw/zinc/40/71/15/837407115.db2.gz	HENRWTZUZBNBIX-UHFFFAOYSA-N	-1	0	299.377	0.825	20	30		CCEDRM
C[C@H]1C[C@@H](C(=O)[N-]S(=O)(=O)CC2(C#N)CC2)CO1	ZINC000793203939	837407307	/nfs/dbraw/zinc/40/73/07/837407307.db2.gz	HWTJRGBVQRYLQZ-DTWKUNHWSA-N	-1	0	272.326	0.161	20	30		CCEDRM
N#CC1(CS(=O)(=O)[N-]C(=O)C[C@H]2CCCCO2)CC1	ZINC000793204088	837407391	/nfs/dbraw/zinc/40/73/91/837407391.db2.gz	NUKCDKWPDGTFBE-SNVBAGLBSA-N	-1	0	286.353	0.695	20	30		CCEDRM
C#Cc1cnc([N-]S(=O)(=O)c2nccs2)c(C#C)n1	ZINC001187861505	844786170	/nfs/dbraw/zinc/78/61/70/844786170.db2.gz	ZHCIBMNJVUDHKL-UHFFFAOYSA-N	-1	0	290.329	0.697	20	30		CCEDRM
CN(CC#N)C(=O)COc1ccc(OCC(=O)[O-])cc1	ZINC001183907488	844119277	/nfs/dbraw/zinc/11/92/77/844119277.db2.gz	WAKVHNLFANEGJL-UHFFFAOYSA-N	-1	0	278.264	0.511	20	30		CCEDRM
N#Cc1cc(NC(=O)C2(CO)COC2)c([O-])cc1F	ZINC001184047157	844146066	/nfs/dbraw/zinc/14/60/66/844146066.db2.gz	JKVGPAKWFSFCOQ-UHFFFAOYSA-N	-1	0	266.228	0.350	20	30		CCEDRM
C=CC[C@@H](Nc1cncc(C(=O)[O-])n1)C(=O)OC	ZINC001169834475	836454786	/nfs/dbraw/zinc/45/47/86/836454786.db2.gz	RMPZJEPWRGKRTD-SSDOTTSWSA-N	-1	0	251.242	0.704	20	30		CCEDRM
O=C(CCC(=O)N1CC[C@H](O)[C@@H](CO)C1)C1=CC=C[CH]1	ZINC001184245031	844187119	/nfs/dbraw/zinc/18/71/19/844187119.db2.gz	NMQWQYUSKHMGDH-OCCSQVGLSA-N	-1	0	278.328	0.238	20	30		CCEDRM
COc1ccnc(C(=N)NC(=O)CCC(=O)C2=CC=C[CH]2)n1	ZINC001184243495	844187953	/nfs/dbraw/zinc/18/79/53/844187953.db2.gz	GMWQSIYWWZULAN-UHFFFAOYSA-N	-1	0	299.310	0.977	20	30		CCEDRM
C[Si](C)(C)C#CNc1[nH]c(=O)[nH]c2nc(=O)[n-]c1-2	ZINC001170216686	837256520	/nfs/dbraw/zinc/25/65/20/837256520.db2.gz	MXSZQBOSTHAISG-UHFFFAOYSA-N	-1	0	263.333	0.966	20	30		CCEDRM
CC#CCS(=O)(=O)[N-]C(=O)C1(OCC)CCCC1	ZINC000810778136	838406061	/nfs/dbraw/zinc/40/60/61/838406061.db2.gz	VOAGCGZFTWOXTK-UHFFFAOYSA-N	-1	0	273.354	0.805	20	30		CCEDRM
CSc1ncc([O-])c(C(=O)Nc2cn(C)nc2C#N)n1	ZINC001185165865	844350886	/nfs/dbraw/zinc/35/08/86/844350886.db2.gz	DCYSVGWLWAVANB-UHFFFAOYSA-N	-1	0	290.308	0.762	20	30		CCEDRM
C[C@@]1(O)C[C@@H](C(=O)N(O)C(=N)c2ccccc2N)C1	ZINC001185470070	844420335	/nfs/dbraw/zinc/42/03/35/844420335.db2.gz	PXFSNYSTMKYXPX-XCSCGOTBSA-N	-1	0	263.297	0.973	20	30		CCEDRM
Cc1cc(C#N)c(=O)[n-]c1C(=O)NCCCS(C)(=O)=O	ZINC001136370196	839602853	/nfs/dbraw/zinc/60/28/53/839602853.db2.gz	PYVSYBRBXXAJQO-UHFFFAOYSA-N	-1	0	297.336	0.132	20	30		CCEDRM
C=CCC(F)(F)C(=O)NCCn1cc(C#N)c(=O)[n-]c1=O	ZINC001148392892	840790675	/nfs/dbraw/zinc/79/06/75/840790675.db2.gz	MTXQAOZVSXDXKU-UHFFFAOYSA-N	-1	0	298.249	0.148	20	30		CCEDRM
Cc1ccc(C(=O)n2nc(N)c(C#N)c2N)c([O-])c1	ZINC001148491867	840821507	/nfs/dbraw/zinc/82/15/07/840821507.db2.gz	FSUPLHLBKMHCTD-UHFFFAOYSA-N	-1	0	257.253	0.622	20	30		CCEDRM
Nc1nonc1C(=Nc1cccc(C=CC(=O)[O-])c1)NO	ZINC001174495537	842187128	/nfs/dbraw/zinc/18/71/28/842187128.db2.gz	UCKCZVHXADBDRF-SNAWJCMRSA-N	-1	0	289.251	0.807	20	30		CCEDRM
Cn1ccc(C(=O)Nc2cnc(C#N)cn2)c1CC(=O)[O-]	ZINC001177361301	842565781	/nfs/dbraw/zinc/56/57/81/842565781.db2.gz	SRYGSLHNEQJIDR-UHFFFAOYSA-N	-1	0	285.263	0.566	20	30		CCEDRM
Cn1ccc(C(=O)N2CCO[C@H](C#N)C2)c1CC(=O)[O-]	ZINC001177365294	842567843	/nfs/dbraw/zinc/56/78/43/842567843.db2.gz	QVECVZNPNAOUHJ-SECBINFHSA-N	-1	0	277.280	0.017	20	30		CCEDRM
N#Cc1cc(NC(=O)Cc2nc(N)n[nH]2)c([O-])cc1F	ZINC001180247955	843127393	/nfs/dbraw/zinc/12/73/93/843127393.db2.gz	LLOAYIMXJHAXNV-UHFFFAOYSA-N	-1	0	276.231	0.284	20	30		CCEDRM
N#Cc1cc(NC(=O)[C@@H]2CSCC(=O)N2)c([O-])cc1F	ZINC001180552240	843204011	/nfs/dbraw/zinc/20/40/11/843204011.db2.gz	LCOOVXRQPBILCG-VIFPVBQESA-N	-1	0	295.295	0.573	20	30		CCEDRM
N#Cc1cc(NC(=O)[C@@H]2C[C@H]2C(N)=O)c([O-])cc1F	ZINC001182382827	843782395	/nfs/dbraw/zinc/78/23/95/843782395.db2.gz	LVDCTUOEZXUPPR-RNFRBKRXSA-N	-1	0	263.228	0.463	20	30		CCEDRM
COC(=O)CCS(=O)(=O)[N-]c1ncc(C)cc1C#N	ZINC001188355136	844882544	/nfs/dbraw/zinc/88/25/44/844882544.db2.gz	CGUPGVGVZWULJJ-UHFFFAOYSA-N	-1	0	283.309	0.567	20	30		CCEDRM
COC(=O)CCS(=O)(=O)[N-]c1occ(C)c1C#N	ZINC001188359943	844883041	/nfs/dbraw/zinc/88/30/41/844883041.db2.gz	GGHQBSVWIKFRSK-UHFFFAOYSA-N	-1	0	272.282	0.765	20	30		CCEDRM
N#Cc1ncc([N-]S(=O)(=O)c2ccoc2)cn1	ZINC001188576255	844922710	/nfs/dbraw/zinc/92/27/10/844922710.db2.gz	HZTJLUQIVDRGRF-UHFFFAOYSA-N	-1	0	250.239	0.742	20	30		CCEDRM
N#CC1(C[N-]S(=O)(=O)c2ncc(F)cc2F)CC1	ZINC001190207780	845368401	/nfs/dbraw/zinc/36/84/01/845368401.db2.gz	WFUVUHKIFKWKFX-UHFFFAOYSA-N	-1	0	273.264	0.942	20	30		CCEDRM
N#Cc1cccc(C(=O)NCS(=O)(=O)[O-])c1F	ZINC001190554846	845425638	/nfs/dbraw/zinc/42/56/38/845425638.db2.gz	NDKLPVWWEMJOND-UHFFFAOYSA-N	-1	0	258.230	0.272	20	30		CCEDRM
N#Cc1ccc(F)c(S(=O)(=O)NCCCO)c1	ZINC001190608450	845443690	/nfs/dbraw/zinc/44/36/90/845443690.db2.gz	QQEVMAPQMJXGGX-UHFFFAOYSA-N	-1	0	258.274	0.358	20	30		CCEDRM
N#Cc1cnc(CNS(=O)(=O)c2ncc[n-]2)s1	ZINC001190755513	845472176	/nfs/dbraw/zinc/47/21/76/845472176.db2.gz	VKFKLNDEEJGCNB-UHFFFAOYSA-N	-1	0	269.311	0.216	20	30		CCEDRM
C[C@@H](C#N)N(C)S(=O)(=O)c1ccc(OCC(=O)[O-])cc1	ZINC001192717085	845901952	/nfs/dbraw/zinc/90/19/52/845901952.db2.gz	XHSIKCZLHDCOFQ-VIFPVBQESA-N	-1	0	298.320	0.683	20	30		CCEDRM
C/C=C/n1cnc2c1ncnc2[N-]S(=O)(=O)CC#N	ZINC001192942893	845929859	/nfs/dbraw/zinc/92/98/59/845929859.db2.gz	FNVPBDSZQRMBQC-DUXPYHPUSA-N	-1	0	278.297	0.582	20	30		CCEDRM
Cc1cc(C(N)=O)c([N-]S(=O)(=O)CC#N)s1	ZINC001192938195	845942216	/nfs/dbraw/zinc/94/22/16/845942216.db2.gz	APGNQSPHHIPDGY-UHFFFAOYSA-N	-1	0	259.312	0.421	20	30		CCEDRM
N#CCS(=O)(=O)[N-]c1ccc(F)cc1OCCO	ZINC001192982270	845943003	/nfs/dbraw/zinc/94/30/03/845943003.db2.gz	NBPNBXSJFCVBGN-UHFFFAOYSA-N	-1	0	274.273	0.462	20	30		CCEDRM
COC(=O)c1cc(OC)ccc1[N-]S(=O)(=O)CC#N	ZINC001192972222	845957471	/nfs/dbraw/zinc/95/74/71/845957471.db2.gz	OYKJTUYNNLTABB-UHFFFAOYSA-N	-1	0	284.293	0.747	20	30		CCEDRM
CN(C)C(=O)c1cccc([N-]S(=O)(=O)CC#N)c1	ZINC001192979088	845961301	/nfs/dbraw/zinc/96/13/01/845961301.db2.gz	XMVADMRDSDGHLB-UHFFFAOYSA-N	-1	0	267.310	0.654	20	30		CCEDRM
COC(=O)c1ccc(F)cc1[N-]S(=O)(=O)CC#N	ZINC001192980157	845962608	/nfs/dbraw/zinc/96/26/08/845962608.db2.gz	DOAGSAXHIUMAPN-UHFFFAOYSA-N	-1	0	272.257	0.878	20	30		CCEDRM
C[C@@H](C#N)S(=O)(=O)[N-]c1nccnc1Br	ZINC001193104645	845979183	/nfs/dbraw/zinc/97/91/83/845979183.db2.gz	LPIOYKRKDSJRKC-YFKPBYRVSA-N	-1	0	291.130	0.893	20	30		CCEDRM
COC(=O)c1cc(C#N)ccc1[N-]S(=O)(=O)[C@H](C)C#N	ZINC001193150636	846006533	/nfs/dbraw/zinc/00/65/33/846006533.db2.gz	ZKVVUMODSOPCOW-MRVPVSSYSA-N	-1	0	293.304	0.999	20	30		CCEDRM
C[C@@H](C#N)S(=O)(=O)[N-]c1cccc2c1CCNC2=O	ZINC001193160319	846009897	/nfs/dbraw/zinc/00/98/97/846009897.db2.gz	BYVWXGCJYIDZDU-QMMMGPOBSA-N	-1	0	279.321	0.626	20	30		CCEDRM
COC(=O)n1ncc(C#N)c1NC(=O)c1cc(=O)[nH][n-]1	ZINC001193475869	846089125	/nfs/dbraw/zinc/08/91/25/846089125.db2.gz	PBOGXSFYQYXWPQ-UHFFFAOYSA-N	-1	0	276.212	0.050	20	30		CCEDRM
COC(=O)[C@H](C)N(C)C(=O)c1ccc([O-])c(C#N)c1	ZINC001193503884	846099714	/nfs/dbraw/zinc/09/97/14/846099714.db2.gz	IKBVLNXJNUNWAB-QMMMGPOBSA-N	-1	0	262.265	0.897	20	30		CCEDRM
N#Cc1cc(C(=O)N2CCS(=O)(=O)CC2)ccc1[O-]	ZINC001193506457	846101226	/nfs/dbraw/zinc/10/12/26/846101226.db2.gz	MRBPPJYTVGGMFQ-UHFFFAOYSA-N	-1	0	280.305	0.134	20	30		CCEDRM
N#Cc1cc(C(=O)N2CCO[C@H](C#N)C2)ccc1[O-]	ZINC001193504115	846101808	/nfs/dbraw/zinc/10/18/08/846101808.db2.gz	NGRLRBMWKAXYEB-LLVKDONJSA-N	-1	0	257.249	0.628	20	30		CCEDRM
CN1CCOC[C@H]1CNC(=O)c1ccc([O-])c(C#N)c1	ZINC001193514631	846103087	/nfs/dbraw/zinc/10/30/87/846103087.db2.gz	FXVROVQJPZVBJE-GFCCVEGCSA-N	-1	0	275.308	0.324	20	30		CCEDRM
C[C@H]1C(=O)NCCN1C(=O)c1cccc(C#N)c1[O-]	ZINC001193644340	846134723	/nfs/dbraw/zinc/13/47/23/846134723.db2.gz	VAJXSWCQDVYXNZ-QMMMGPOBSA-N	-1	0	259.265	0.224	20	30		CCEDRM
Cn1ccnc1S(=O)(=O)[N-]c1cc(C#N)c(F)cc1O	ZINC001193603030	846137749	/nfs/dbraw/zinc/13/77/49/846137749.db2.gz	AWZFOENKWSCJDP-UHFFFAOYSA-N	-1	0	296.283	0.937	20	30		CCEDRM
N#CCNS(=O)(=O)c1cc(C(=O)[O-])c(F)cc1Cl	ZINC001194022371	846198270	/nfs/dbraw/zinc/19/82/70/846198270.db2.gz	LUZQGOLTIMUEIH-UHFFFAOYSA-N	-1	0	292.675	0.979	20	30		CCEDRM
N#Cc1ccc(NC(=O)c2cc(=O)cc(C(N)=O)o2)c([O-])c1	ZINC001196200021	846704160	/nfs/dbraw/zinc/70/41/60/846704160.db2.gz	FJMRHRUZYGBABU-UHFFFAOYSA-N	-1	0	299.242	0.568	20	30		CCEDRM
Cc1ncc(S(=O)(=O)[N-]c2ccc(C#N)nc2)n1C	ZINC001198355567	847102677	/nfs/dbraw/zinc/10/26/77/847102677.db2.gz	DGRGDDZJSJZONF-UHFFFAOYSA-N	-1	0	277.309	0.796	20	30		CCEDRM
C=CS(=O)(=O)[N-]c1c(C#N)cnc2c(C#N)cnn21	ZINC001198574392	847128881	/nfs/dbraw/zinc/12/88/81/847128881.db2.gz	YZVSAYGLGWVUFQ-UHFFFAOYSA-N	-1	0	274.265	0.358	20	30		CCEDRM
N#CCC1CN(S(=O)(=O)c2ccccc2C(=O)[O-])C1	ZINC001198739559	847155349	/nfs/dbraw/zinc/15/53/49/847155349.db2.gz	MSIIUACUZSBOPT-UHFFFAOYSA-N	-1	0	280.305	0.919	20	30		CCEDRM
N#Cc1cccc2[nH]cc(C(=O)NCc3n[nH]c(=O)[n-]3)c21	ZINC001137240277	848269073	/nfs/dbraw/zinc/26/90/73/848269073.db2.gz	XCXNCUYLLDJALF-UHFFFAOYSA-N	-1	0	282.263	0.793	20	30		CCEDRM
C#CC[C@@H](CO)NC(=O)CC1(CC(=O)[O-])CCCC1	ZINC000717718909	848286548	/nfs/dbraw/zinc/28/65/48/848286548.db2.gz	FTDFPWJUNHNMHS-NSHDSACASA-N	-1	0	267.325	0.912	20	30		CCEDRM
C#CCN(CC#CC)C(=O)NCC1(C(=O)[O-])CCC1	ZINC000688103528	849160603	/nfs/dbraw/zinc/16/06/03/849160603.db2.gz	ZLYBEDSJZLCGTD-UHFFFAOYSA-N	-1	0	262.309	0.909	20	30		CCEDRM
C=CCN(CC(=O)[O-])C(=O)N[C@H]1COC2(CCC2)C1	ZINC000688300453	849166899	/nfs/dbraw/zinc/16/68/99/849166899.db2.gz	KTQOZOQJZXCBMZ-SNVBAGLBSA-N	-1	0	268.313	0.980	20	30		CCEDRM
C#C[C@H](CO)NC(=O)CC1(CC(=O)[O-])CCCC1	ZINC000718138874	849231478	/nfs/dbraw/zinc/23/14/78/849231478.db2.gz	FDIAFTWWJACRBO-SNVBAGLBSA-N	-1	0	253.298	0.522	20	30		CCEDRM
C=CCC1(C(=O)[O-])CN(S(=O)(=O)c2cnn(C)c2)C1	ZINC000722909285	850167264	/nfs/dbraw/zinc/16/72/64/850167264.db2.gz	XMKYXVDFMVCSFN-UHFFFAOYSA-N	-1	0	285.325	0.072	20	30		CCEDRM
C=CCN1CC(N(C)C(=O)c2ccc3oc(=O)nc-3[n-]2)C1	ZINC001044182561	851034177	/nfs/dbraw/zinc/03/41/77/851034177.db2.gz	UNOOUMRNHSRNOI-UHFFFAOYSA-N	-1	0	288.307	0.871	20	30		CCEDRM
C=C[C@H]1C[C@@]1([N-]S(=O)(=O)C(F)F)C(=O)OCC	ZINC001259961240	851894067	/nfs/dbraw/zinc/89/40/67/851894067.db2.gz	BRUJAWRDHNONLD-RCOVLWMOSA-N	-1	0	269.269	0.636	20	30		CCEDRM
N#CCCN1CCN(C(=O)[C@@H](C(=O)[O-])C2CCCC2)CC1	ZINC000902491177	851959362	/nfs/dbraw/zinc/95/93/62/851959362.db2.gz	XOWOPFFPPTUIMJ-ZDUSSCGKSA-N	-1	0	293.367	0.935	20	30		CCEDRM
CC[C@@H](C)S(=O)(=O)[N-]c1c(C#N)cnn1C(=O)OC	ZINC001260750480	852415192	/nfs/dbraw/zinc/41/51/92/852415192.db2.gz	LNPFUKUSSBLAAB-SSDOTTSWSA-N	-1	0	286.313	0.909	20	30		CCEDRM
Cc1[nH]nc(C(=O)N2CCC[C@H]3CN(CC#N)C[C@H]32)c1[O-]	ZINC001050025181	853297412	/nfs/dbraw/zinc/29/74/12/853297412.db2.gz	RPLYGALBVVQHEY-WDEREUQCSA-N	-1	0	289.339	0.484	20	30		CCEDRM
C=CCCN1CCOC[C@H]1CNC(=O)c1[nH]nc(C)c1[O-]	ZINC001050866693	853467589	/nfs/dbraw/zinc/46/75/89/853467589.db2.gz	ZQJOGAJTCFXTQB-LLVKDONJSA-N	-1	0	294.355	0.430	20	30		CCEDRM
N#Cc1ccc(N2CCC[C@H](NC(=O)c3cn[nH]n3)C2)nc1	ZINC001058268401	853808053	/nfs/dbraw/zinc/80/80/53/853808053.db2.gz	JDWGWVFOBPSBMB-NSHDSACASA-N	-1	0	297.322	0.470	20	30		CCEDRM
C#CC[C@H](NC(=O)[C@H]1COc2ccccc21)C(=O)[O-]	ZINC000149922080	854008677	/nfs/dbraw/zinc/00/86/77/854008677.db2.gz	QSBXTOIZTPQQIZ-QWRGUYRKSA-N	-1	0	259.261	0.755	20	30		CCEDRM
Cc1n[nH]c(C(=O)N[C@H]2CC[C@H](C)N(CC#N)C2)c1[O-]	ZINC001071441014	854197092	/nfs/dbraw/zinc/19/70/92/854197092.db2.gz	VJVIDMDVXXTGPL-WPRPVWTQSA-N	-1	0	277.328	0.530	20	30		CCEDRM
C=CCS(=O)(=O)[N-]C(=O)c1cn2c(cccc2C)n1	ZINC001116467458	855771767	/nfs/dbraw/zinc/77/17/67/855771767.db2.gz	DPRSJEUPYYUJQA-UHFFFAOYSA-N	-1	0	279.321	0.888	20	30		CCEDRM
CC(=Cc1cn(C)nn1)c1nc(C)c(C#N)c(=O)[n-]1	ZINC001116857067	855850295	/nfs/dbraw/zinc/85/02/95/855850295.db2.gz	FVJVDJAOERJOMV-DAXSKMNVSA-N	-1	0	256.269	0.639	20	30		CCEDRM
C=CC[C@@H](CC)NC(=O)C(=O)[N-]OC1CCOCC1	ZINC001117394060	855965128	/nfs/dbraw/zinc/96/51/28/855965128.db2.gz	ONSMSGFWEAMZFS-SNVBAGLBSA-N	-1	0	270.329	0.684	20	30		CCEDRM
Cc1nnc([S-])n(N=Cc2c(C3CC3)cnn2C)c1=O	ZINC001118523336	856328631	/nfs/dbraw/zinc/32/86/31/856328631.db2.gz	DSWDZKNCPHHCBK-UHFFFAOYSA-N	-1	0	290.352	0.729	20	30		CCEDRM
C=CC[C@@H](NC(=O)COc1cccnc1)C(=O)[O-]	ZINC001118913209	856488408	/nfs/dbraw/zinc/48/84/08/856488408.db2.gz	GCSMSVBUWIUWIC-SNVBAGLBSA-N	-1	0	250.254	0.606	20	30		CCEDRM
CC#CCS(=O)(=O)[N-]C(=O)Cc1ccc(CC)cn1	ZINC001119487196	856703137	/nfs/dbraw/zinc/70/31/37/856703137.db2.gz	JFQMXNRJVNMNCS-UHFFFAOYSA-N	-1	0	280.349	0.656	20	30		CCEDRM
CSc1[n-]c(=O)c(C(=O)NCCNC(C)=O)cc1C#N	ZINC001324987274	913129782	/nfs/dbraw/zinc/12/97/82/913129782.db2.gz	DOXHXRLZKQOBMW-UHFFFAOYSA-N	-1	0	294.336	0.247	20	30		CCEDRM
C=CCCC(=O)NC[C@H]1CCN(Cc2n[nH]c(=O)[n-]2)C1	ZINC001481083819	892141584	/nfs/dbraw/zinc/14/15/84/892141584.db2.gz	PXOFSVIBORFEPG-SNVBAGLBSA-N	-1	0	279.344	0.415	20	30		CCEDRM
Cc1cc(C#N)c(=O)[n-]c1C(=O)NCCc1ccon1	ZINC001362414244	893566090	/nfs/dbraw/zinc/56/60/90/893566090.db2.gz	OUVZMRDPJVEQRY-UHFFFAOYSA-N	-1	0	272.264	0.928	20	30		CCEDRM
C[C@@H](C(=O)Nc1nc(C#N)c(C#N)[n-]1)[C@H](C)S(C)(=O)=O	ZINC001362614413	893605130	/nfs/dbraw/zinc/60/51/30/893605130.db2.gz	UNGRPQVPWQPDQB-RQJHMYQMSA-N	-1	0	295.324	0.161	20	30		CCEDRM
C#CC[C@@H](NC(=O)c1cccc([N+](=O)[O-])c1[O-])C(=O)OC	ZINC001299179141	894139450	/nfs/dbraw/zinc/13/94/50/894139450.db2.gz	SWGNLSQYTUQRKE-SECBINFHSA-N	-1	0	292.247	0.595	20	30		CCEDRM
CN(CCCNCC#N)C(=O)c1ccc2oc(=O)nc-2[n-]1	ZINC001483502799	895616244	/nfs/dbraw/zinc/61/62/44/895616244.db2.gz	NWDXLGCOJWXDDM-UHFFFAOYSA-N	-1	0	289.295	0.504	20	30		CCEDRM
O=C(N[C@H]1CCCN(O)C1=O)c1cnc(C2CC2)[nH]1	ZINC001326799568	914183188	/nfs/dbraw/zinc/18/31/88/914183188.db2.gz	KWLFHDMEKZUBKD-QMMMGPOBSA-N	-1	0	264.285	0.397	20	30		CCEDRM
C=C(C)CO[N-]C(=O)C(=O)Nc1cc(C2CC2)nn1C	ZINC001326801038	914187980	/nfs/dbraw/zinc/18/79/80/914187980.db2.gz	RVLBVJMLZWCDAQ-UHFFFAOYSA-N	-1	0	278.312	0.860	20	30		CCEDRM
C[C@H](C#N)S(=O)(=O)[N-]c1cccc2c1CNC2=O	ZINC001193140154	900033057	/nfs/dbraw/zinc/03/30/57/900033057.db2.gz	SZKJNGWDFCTQLH-SSDOTTSWSA-N	-1	0	265.294	0.584	20	30		CCEDRM
N#CC1(C(=O)N2CCC[C@@H](c3nnn[n-]3)C2)CCOCC1	ZINC001412060727	901436432	/nfs/dbraw/zinc/43/64/32/901436432.db2.gz	SBCBWVQZCNUMHJ-SNVBAGLBSA-N	-1	0	290.327	0.226	20	30		CCEDRM
Cc1cc(C#N)c(=O)[n-]c1C(=O)N[C@H]1Cc2cncn2C1	ZINC001412154339	901503671	/nfs/dbraw/zinc/50/36/71/901503671.db2.gz	GAQBTXCQCJTUFS-JTQLQIEISA-N	-1	0	283.291	0.519	20	30		CCEDRM
CCO[C@@H](C(=O)Nc1nc(C#N)c(C#N)[n-]1)[C@@H]1CCOC1	ZINC001412292679	901624620	/nfs/dbraw/zinc/62/46/20/901624620.db2.gz	OCFTTXRJCBYBMA-LDYMZIIASA-N	-1	0	289.295	0.533	20	30		CCEDRM
C[C@@H]1CCC[C@H]1NC(=O)Cn1cc(C#N)c(=O)[n-]c1=O	ZINC001412525632	901787495	/nfs/dbraw/zinc/78/74/95/901787495.db2.gz	IUHHJWDJZWFVGQ-PSASIEDQSA-N	-1	0	276.296	0.125	20	30		CCEDRM
Cn1c(=O)[n-]c(N2CC[C@@H]3[C@H](C2)C3(F)F)c(C#N)c1=O	ZINC001412883269	902327657	/nfs/dbraw/zinc/32/76/57/902327657.db2.gz	DSSDEICZJADPML-SFYZADRCSA-N	-1	0	282.250	0.037	20	30		CCEDRM
Cn1c(=O)[n-]c(NCC(C)(C)c2cccnc2)c(C#N)c1=O	ZINC001412883057	902327923	/nfs/dbraw/zinc/32/79/23/902327923.db2.gz	BFGADSASXHTXTC-UHFFFAOYSA-N	-1	0	299.334	0.730	20	30		CCEDRM
COCC[C@H](CO)NC(=O)c1[n-]c(=O)c(C#N)cc1C	ZINC001412886537	902330891	/nfs/dbraw/zinc/33/08/91/902330891.db2.gz	AHDIMIUDFGWDPF-SNVBAGLBSA-N	-1	0	279.296	0.095	20	30		CCEDRM
Cc1cc(CNC(=O)c2[n-]c(=O)c(C#N)cc2C)n(C)n1	ZINC001412928264	902365512	/nfs/dbraw/zinc/36/55/12/902365512.db2.gz	GYGWTBXAFHBBIT-UHFFFAOYSA-N	-1	0	285.307	0.939	20	30		CCEDRM
Cc1cc(C#N)c(=O)[n-]c1C(=O)NCc1ccc(=O)[nH]n1	ZINC001413006214	902463394	/nfs/dbraw/zinc/46/33/94/902463394.db2.gz	FYZLPPVKJPGRMW-UHFFFAOYSA-N	-1	0	285.263	0.393	20	30		CCEDRM
N#CCNCC1CC(NC(=O)c2ncccc2O)C1	ZINC001281999599	904386190	/nfs/dbraw/zinc/38/61/90/904386190.db2.gz	QYXIVCSSGBEVFT-UHFFFAOYSA-N	-1	0	260.297	0.409	20	30		CCEDRM
C[C@@H](CC#N)N(C)C(=O)CCCn1c(=O)[n-][nH]c1=O	ZINC001293071491	906398876	/nfs/dbraw/zinc/39/88/76/906398876.db2.gz	IYBXAEJMFHJKPW-QMMMGPOBSA-N	-1	0	267.289	0.230	20	30		CCEDRM
COC1(C(=O)Nc2cc(C#N)ccc2[O-])CS(=O)(=O)C1	ZINC001295829065	906810112	/nfs/dbraw/zinc/81/01/12/906810112.db2.gz	XGRCPFWHZCWWOL-UHFFFAOYSA-N	-1	0	296.304	0.016	20	30		CCEDRM
Cc1[nH]nc(C(=O)N(C)CCNC(=O)C#CC2CC2)c1[O-]	ZINC001296062683	906859294	/nfs/dbraw/zinc/85/92/94/906859294.db2.gz	WOCMITZOPRFSIS-UHFFFAOYSA-N	-1	0	290.323	0.025	20	30		CCEDRM
C=CCN(CCC#N)C(=O)CCCn1c(=O)[n-][nH]c1=O	ZINC001298466825	907248476	/nfs/dbraw/zinc/24/84/76/907248476.db2.gz	HTYYODASUSNURN-UHFFFAOYSA-N	-1	0	279.300	0.398	20	30		CCEDRM
C#Cc1ccc(C(=O)NCc2nc([O-])cc(=O)[nH]2)cc1	ZINC001301577004	907973835	/nfs/dbraw/zinc/97/38/35/907973835.db2.gz	PIGIJACWUWZFCL-UHFFFAOYSA-N	-1	0	269.260	0.799	20	30		CCEDRM
N#CCN(Cc1cc(=O)n2[n-]cc(C#N)c2n1)C1CC1	ZINC001307441790	908316114	/nfs/dbraw/zinc/31/61/14/908316114.db2.gz	CWCPJMNUXMEIHQ-UHFFFAOYSA-N	-1	0	268.280	0.795	20	30		CCEDRM
N#CCN(CC#N)C(=O)c1n[n-]c2ccccc2c1=O	ZINC001318576688	909822154	/nfs/dbraw/zinc/82/21/54/909822154.db2.gz	OXCKBEZATJEDEB-UHFFFAOYSA-N	-1	0	267.248	0.825	20	30		CCEDRM
C=CCn1c(-c2noc(=O)[nH]2)nnc1N(C)CC1CC1	ZINC001338653907	921539442	/nfs/dbraw/zinc/53/94/42/921539442.db2.gz	OBJSTDGGBTXKMO-UHFFFAOYSA-N	-1	0	276.300	0.654	20	30		CCEDRM
C=CCn1c(Cc2nn[nH]n2)nnc1N1CCC[C@H](C)C1	ZINC001338932701	921606368	/nfs/dbraw/zinc/60/63/68/921606368.db2.gz	YXZIAFYRDTYUCI-JTQLQIEISA-N	-1	0	288.359	0.804	20	30		CCEDRM
C=CC[C@@H](NC(=O)CCc1cnn(C)c1)C(=O)[O-]	ZINC001321166578	911129076	/nfs/dbraw/zinc/12/90/76/911129076.db2.gz	FVNOHOJGHIZGJN-SNVBAGLBSA-N	-1	0	251.286	0.498	20	30		CCEDRM
C=CC[C@H](NC(=O)CCC(=O)NCCC)C(=O)[O-]	ZINC001321337662	911240535	/nfs/dbraw/zinc/24/05/35/911240535.db2.gz	COEULZQWJAYJSR-VIFPVBQESA-N	-1	0	256.302	0.438	20	30		CCEDRM
C=CC[C@H](NC(=O)[C@@H](C)NC(=O)c1ccoc1)C(=O)[O-]	ZINC001321658752	911427049	/nfs/dbraw/zinc/42/70/49/911427049.db2.gz	VUCYBURDJKTDRY-SCZZXKLOSA-N	-1	0	280.280	0.543	20	30		CCEDRM
C=CC[C@@H](NC(=O)c1c([N+](=O)[O-])cnn1C)C(=O)[O-]	ZINC001322602131	911877779	/nfs/dbraw/zinc/87/77/79/911877779.db2.gz	QGULHGCBLJSBNE-ZCFIWIBFSA-N	-1	0	268.229	0.087	20	30		CCEDRM
C=C(C)C[C@@H](NC(=O)c1cnn(C)c1OC)C(=O)[O-]	ZINC001339554483	921758594	/nfs/dbraw/zinc/75/85/94/921758594.db2.gz	QJDDTDVMARETSH-SECBINFHSA-N	-1	0	267.285	0.578	20	30		CCEDRM
CSC1(CNc2[n-]c(=O)n(C)c(=O)c2C#N)CC1	ZINC001339692766	921797704	/nfs/dbraw/zinc/79/77/04/921797704.db2.gz	XRRUKIWLSPSTMI-UHFFFAOYSA-N	-1	0	266.326	0.253	20	30		CCEDRM
C#C[C@H](C)N(C)c1nnc(-c2cc(=O)n(C)[n-]2)n1CC	ZINC001339713843	921807321	/nfs/dbraw/zinc/80/73/21/921807321.db2.gz	UZKGHRINXUFFGY-VIFPVBQESA-N	-1	0	274.328	0.862	20	30		CCEDRM
C=C[C@H](C)O[N-]C(=O)C(=O)Nc1cc(COC)ncn1	ZINC001329674580	916114411	/nfs/dbraw/zinc/11/44/11/916114411.db2.gz	GKJPJCWYPNUQDS-QMMMGPOBSA-N	-1	0	280.284	0.184	20	30		CCEDRM
C=C[C@@H](OC(=O)CN(C)[C@H]1CCSC1)C(=O)[O-]	ZINC001588710701	983933659	/nfs/dbraw/zinc/93/36/59/983933659.db2.gz	HVXILGFQVFKXJS-DTWKUNHWSA-N	-1	0	259.327	0.606	20	30		CCEDRM
C=CC[C@H](NC(=O)NCc1cccc(N(C)C)n1)C(=O)[O-]	ZINC001332164679	917924457	/nfs/dbraw/zinc/92/44/57/917924457.db2.gz	OIGUNONBHGEERC-NSHDSACASA-N	-1	0	292.339	0.976	20	30		CCEDRM
Cc1cc(NC(=O)N[C@H]2CCCN(O)C2=O)cc(C)n1	ZINC001333040286	918615235	/nfs/dbraw/zinc/61/52/35/918615235.db2.gz	WYSKOKOFMWHMRL-NSHDSACASA-N	-1	0	278.312	0.622	20	30		CCEDRM
C=CCCCC(=O)N1CCC(O)(c2nnn[n-]2)CC1	ZINC001333280631	918771168	/nfs/dbraw/zinc/77/11/68/918771168.db2.gz	AVECFLCYLSUICD-UHFFFAOYSA-N	-1	0	265.317	0.366	20	30		CCEDRM
C#CCCCC(=O)N1CCC(C(=O)[O-])([S@@](C)=O)CC1	ZINC001333335428	918814354	/nfs/dbraw/zinc/81/43/54/918814354.db2.gz	TVGIYPUFABTMKD-LJQANCHMSA-N	-1	0	285.365	0.614	20	30		CCEDRM
C#CCCCC(=O)[N-]S(=O)(=O)CC[C@H]1CCCO1	ZINC001333697173	919104569	/nfs/dbraw/zinc/10/45/69/919104569.db2.gz	FSXBKHHMKVORQX-LLVKDONJSA-N	-1	0	273.354	0.805	20	30		CCEDRM
N#CCC1(O)CN(Cc2ccc(C(=O)[O-])s2)C1	ZINC001334041600	919338384	/nfs/dbraw/zinc/33/83/84/919338384.db2.gz	REWWGNFLQAJWQK-UHFFFAOYSA-N	-1	0	252.295	0.907	20	30		CCEDRM
C#CC[C@H](NC(=O)[C@H]1CCCN(CC(F)F)C1)C(=O)[O-]	ZINC001334202527	919421158	/nfs/dbraw/zinc/42/11/58/919421158.db2.gz	NHTUEEIGNCEXBC-UWVGGRQHSA-N	-1	0	288.294	0.556	20	30		CCEDRM
C#CC[C@H](NC(=O)[C@H]1COc2ccc(F)cc2C1)C(=O)[O-]	ZINC001334201324	919422355	/nfs/dbraw/zinc/42/23/55/919422355.db2.gz	GYDBQQHVQOYEFL-PWSUYJOCSA-N	-1	0	291.278	0.970	20	30		CCEDRM
CCOC(=O)[C@H](COC)[N-]S(=O)(=O)CC(C)(C)C#N	ZINC001414329059	920288166	/nfs/dbraw/zinc/28/81/66/920288166.db2.gz	CGBVNABEEDTWMB-VIFPVBQESA-N	-1	0	292.357	0.034	20	30		CCEDRM
C[C@@H]1SCC[C@@H]1Nc1[n-]c(=O)n(C)c(=O)c1C#N	ZINC001336664455	920914615	/nfs/dbraw/zinc/91/46/15/920914615.db2.gz	HIUZBMVKJPXJGO-XPUUQOCRSA-N	-1	0	266.326	0.251	20	30		CCEDRM
N#CC(C(=O)NC1CC1)=C([O-])c1ccc(-n2ccnc2)nc1	ZINC001341913405	922719471	/nfs/dbraw/zinc/71/94/71/922719471.db2.gz	AKXLDPLIQUXMFL-GFCCVEGCSA-N	-1	0	295.302	0.868	20	30		CCEDRM
Cc1nnc2ccc(C([O-])=C(C#N)C(=O)N3CCCC3)cn12	ZINC001342565047	923003292	/nfs/dbraw/zinc/00/32/92/923003292.db2.gz	BCZDRVLMFZIUAD-GFCCVEGCSA-N	-1	0	297.318	0.983	20	30		CCEDRM
COCCCn1cc(C([O-])=C(C#N)C(=O)NC2CC2)cn1	ZINC001342631850	923034024	/nfs/dbraw/zinc/03/40/24/923034024.db2.gz	BYDBTRSFVCBCMG-LBPRGKRZSA-N	-1	0	290.323	0.521	20	30		CCEDRM
Cc1nocc1C([O-])=C(C#N)C(=O)c1nccn1C	ZINC001342718325	923063168	/nfs/dbraw/zinc/06/31/68/923063168.db2.gz	PZFOHNRVXCQCEK-QMMMGPOBSA-N	-1	0	258.237	0.922	20	30		CCEDRM
CC(C)NC(=O)C(C#N)=C([O-])c1cnn2c1CCC2	ZINC001343598282	923387227	/nfs/dbraw/zinc/38/72/27/923387227.db2.gz	BLUQMRISPBKXRV-VIFPVBQESA-N	-1	0	260.297	0.676	20	30		CCEDRM
C=CCNC(=O)C(C#N)=C([O-])c1cccc(C(=O)NC)n1	ZINC001346053787	924058045	/nfs/dbraw/zinc/05/80/45/924058045.db2.gz	HMEBEKZFEPYPQM-SECBINFHSA-N	-1	0	286.291	0.066	20	30		CCEDRM
O=C(N[C@@H]1CCN(O)C1=O)c1c(Cl)ccnc1F	ZINC001347089454	924369549	/nfs/dbraw/zinc/36/95/49/924369549.db2.gz	WACZVCAABZQRDN-ZCFIWIBFSA-N	-1	0	273.651	0.594	20	30		CCEDRM
CC#CCS(=O)(=O)[N-]C(=O)c1ocnc1C(F)(F)F	ZINC001350251165	925155126	/nfs/dbraw/zinc/15/51/26/925155126.db2.gz	HCDZWRPCGADIRD-UHFFFAOYSA-N	-1	0	296.226	0.776	20	30		CCEDRM
C=CC[C@H](NC(=O)c1cc(OC(F)F)n(C)n1)C(=O)[O-]	ZINC001350768370	925275641	/nfs/dbraw/zinc/27/56/41/925275641.db2.gz	LCWYSDADMYBVGW-LURJTMIESA-N	-1	0	289.238	0.781	20	30		CCEDRM
C=CC[C@H](NC(=O)c1cn(CCC)nn1)C(=O)[O-]	ZINC001354046943	925996001	/nfs/dbraw/zinc/99/60/01/925996001.db2.gz	GZYLTHGQNCGHBY-QMMMGPOBSA-N	-1	0	252.274	0.447	20	30		CCEDRM
Cn1c(=O)[n-]c(N2CC(CC3CC3)C2)c(C#N)c1=O	ZINC001354234791	926053367	/nfs/dbraw/zinc/05/33/67/926053367.db2.gz	FKFFAGGUGAKCSH-UHFFFAOYSA-N	-1	0	260.297	0.182	20	30		CCEDRM
C=CCO[C@@H]1CCN(C(=O)C(=O)NC[C@H](CC)C(=O)[O-])C1	ZINC001354271261	926066614	/nfs/dbraw/zinc/06/66/14/926066614.db2.gz	WELCPDISAJPBIF-WDEREUQCSA-N	-1	0	298.339	0.017	20	30		CCEDRM
Cc1n[nH]c(C(=O)NC[C@@H](C)NC(=O)C#CC(C)C)c1[O-]	ZINC001354345215	926091051	/nfs/dbraw/zinc/09/10/51/926091051.db2.gz	UTRBUCXLVKYGJR-SECBINFHSA-N	-1	0	292.339	0.318	20	30		CCEDRM
Cn1cnc(C([O-])=C(C#N)c2nc(N)c3ccccc3n2)n1	ZINC001356086850	926342402	/nfs/dbraw/zinc/34/24/02/926342402.db2.gz	HNAMAJRTMWDUPB-SECBINFHSA-N	-1	0	293.290	0.831	20	30		CCEDRM
CNC(=O)C(C#N)=C([O-])c1c(C)[nH]nc1Br	ZINC001356317645	926368123	/nfs/dbraw/zinc/36/81/23/926368123.db2.gz	QHSPFTKQNOOXLZ-YFKPBYRVSA-N	-1	0	285.101	0.549	20	30		CCEDRM
COc1nn(C)cc1C([O-])=C(C#N)C(=O)NC1CCCC1	ZINC001356349061	926371501	/nfs/dbraw/zinc/37/15/01/926371501.db2.gz	FQBUDGHPUBNRSQ-JTQLQIEISA-N	-1	0	290.323	0.810	20	30		CCEDRM
C#C[C@H](NC(=O)NC[C@H](CC)C(=O)[O-])[C@H]1CCCO1	ZINC001356631923	926415339	/nfs/dbraw/zinc/41/53/39/926415339.db2.gz	PTHDVCJZWKGZQP-GARJFASQSA-N	-1	0	268.313	0.577	20	30		CCEDRM
CNC(=O)C(C#N)=C([O-])c1csc(NC(C)=O)n1	ZINC001357544004	926557346	/nfs/dbraw/zinc/55/73/46/926557346.db2.gz	QOAAKCLSXRTZJP-LURJTMIESA-N	-1	0	266.282	0.170	20	30		CCEDRM
C=CC[C@H](NC(=O)CNC(=O)c1ccc(C)s1)C(=O)[O-]	ZINC000150266688	926947178	/nfs/dbraw/zinc/94/71/78/926947178.db2.gz	WIVZNYMLSDPUIY-VIFPVBQESA-N	-1	0	296.348	0.932	20	30		CCEDRM
Cc1cc(C#N)c(=O)[n-]c1C(=O)N[C@H]1CCCCNC1=O	ZINC001361647204	927218482	/nfs/dbraw/zinc/21/84/82/927218482.db2.gz	KFFPNEAFUQMGSQ-JTQLQIEISA-N	-1	0	288.307	0.366	20	30		CCEDRM
C[C@@H](CC#N)NC(=O)c1ccc(-n2[nH]c(=O)[n-]c2=O)cc1	ZINC001361950985	927469990	/nfs/dbraw/zinc/46/99/90/927469990.db2.gz	SBOUEYYLMAYFKU-QMMMGPOBSA-N	-1	0	287.279	0.298	20	30		CCEDRM
Cc1cc(C#N)c(=O)[n-]c1C(=O)N[C@@H](C)CC[S@@](C)=O	ZINC001361954151	927475243	/nfs/dbraw/zinc/47/52/43/927475243.db2.gz	SXDFVJXIIJKHHB-GWNMQOMSSA-N	-1	0	295.364	0.854	20	30		CCEDRM
CC1(CNC(=O)CCn2cc(C#N)c(=O)[n-]c2=O)CCC1	ZINC001362014348	927521772	/nfs/dbraw/zinc/52/17/72/927521772.db2.gz	AROCUZKDENXBSO-UHFFFAOYSA-N	-1	0	290.323	0.517	20	30		CCEDRM
N#Cc1cn(CC(=O)NC(C2CC2)C2CC2)c(=O)[n-]c1=O	ZINC001362033321	927540434	/nfs/dbraw/zinc/54/04/34/927540434.db2.gz	QSQPRSWGHQUYNQ-UHFFFAOYSA-N	-1	0	288.307	0.125	20	30		CCEDRM
Cc1cc(C)nc(NC(=O)Cn2cc(C#N)c(=O)[n-]c2=O)c1	ZINC001362191322	927713032	/nfs/dbraw/zinc/71/30/32/927713032.db2.gz	OWAPVIHDJICXAV-UHFFFAOYSA-N	-1	0	299.290	0.471	20	30		CCEDRM
Cc1cc(C#N)c(=O)[n-]c1C(=O)NCC(F)(F)CO	ZINC001362463253	928051094	/nfs/dbraw/zinc/05/10/94/928051094.db2.gz	NCQBYPJOISWCNQ-UHFFFAOYSA-N	-1	0	271.223	0.325	20	30		CCEDRM
CCn1ncn([N-]C(=O)c2cccc(F)c2C#N)c1=O	ZINC001362507314	928111295	/nfs/dbraw/zinc/11/12/95/928111295.db2.gz	ZKWHWEGPWLILIS-UHFFFAOYSA-N	-1	0	275.243	0.459	20	30		CCEDRM
C[C@H](C(=O)Nc1nc(C#N)c(C#N)[n-]1)[C@H](C)S(C)(=O)=O	ZINC001362614407	928252685	/nfs/dbraw/zinc/25/26/85/928252685.db2.gz	UNGRPQVPWQPDQB-BQBZGAKWSA-N	-1	0	295.324	0.161	20	30		CCEDRM
N#Cc1ccsc1C(=O)N1CCOC[C@H]1c1nnn[n-]1	ZINC001362760407	928453537	/nfs/dbraw/zinc/45/35/37/928453537.db2.gz	KFHYNXRYAUFWBC-QMMMGPOBSA-N	-1	0	290.308	0.347	20	30		CCEDRM
CC(C)C(C)(C)C(=O)NCCn1cc(C#N)c(=O)[n-]c1=O	ZINC001363000885	928744552	/nfs/dbraw/zinc/74/45/52/928744552.db2.gz	KSCDCIMWVPIXQS-UHFFFAOYSA-N	-1	0	292.339	0.619	20	30		CCEDRM
C[C@H](C(=O)NCCn1cc(C#N)c(=O)[n-]c1=O)C1CCC1	ZINC001363128462	928900346	/nfs/dbraw/zinc/90/03/46/928900346.db2.gz	NAHPVSPOQGYKCP-VIFPVBQESA-N	-1	0	290.323	0.373	20	30		CCEDRM
Cc1ccc(CCNc2[n-]c(=O)n(C)c(=O)c2C#N)nc1	ZINC001363157470	928928932	/nfs/dbraw/zinc/92/89/32/928928932.db2.gz	PWOQVAUHDSGDHK-UHFFFAOYSA-N	-1	0	285.307	0.303	20	30		CCEDRM
Cn1c(=O)[n-]c(NC2CCC(C)(O)CC2)c(C#N)c1=O	ZINC001363156586	928930335	/nfs/dbraw/zinc/93/03/35/928930335.db2.gz	MFZQZFCVGBIZNQ-UHFFFAOYSA-N	-1	0	278.312	0.051	20	30		CCEDRM
Cn1c(=O)[n-]c(NCc2cncc(F)c2)c(C#N)c1=O	ZINC001363157390	928930434	/nfs/dbraw/zinc/93/04/34/928930434.db2.gz	PASKNXFLUADCFM-UHFFFAOYSA-N	-1	0	275.243	0.091	20	30		CCEDRM
N#Cc1cccc(C(=O)N2CCC[C@H](Cc3nnn[n-]3)C2)n1	ZINC001363437366	929229961	/nfs/dbraw/zinc/22/99/61/929229961.db2.gz	VRFBTSNZULWXFV-SNVBAGLBSA-N	-1	0	297.322	0.561	20	30		CCEDRM
N#Cc1nc(NC(=O)C2(O)Cc3ccccc3C2)[n-]c1C#N	ZINC001363467257	929269277	/nfs/dbraw/zinc/26/92/77/929269277.db2.gz	SRWWEBOQYCADAI-UHFFFAOYSA-N	-1	0	293.286	0.621	20	30		CCEDRM
Cc1cc(C#N)c(=O)[n-]c1C(=O)N1CCC(=O)N(C)CC1	ZINC001363481849	929286749	/nfs/dbraw/zinc/28/67/49/929286749.db2.gz	SCRPYMDXWRSVRA-UHFFFAOYSA-N	-1	0	288.307	0.272	20	30		CCEDRM
CCC(C)(C)CCNC(=O)Cn1cc(C#N)c(=O)[n-]c1=O	ZINC001363504347	929306436	/nfs/dbraw/zinc/30/64/36/929306436.db2.gz	NLIDPFSPCUDGCF-UHFFFAOYSA-N	-1	0	292.339	0.763	20	30		CCEDRM
Cc1oc(C#N)cc1C(=O)N1CCC(c2nnn[n-]2)CC1	ZINC001363519129	929322364	/nfs/dbraw/zinc/32/23/64/929322364.db2.gz	LQQQNDRZADKSFE-UHFFFAOYSA-N	-1	0	286.295	0.993	20	30		CCEDRM
CC(C)CN(Cc1nnn[n-]1)C(=O)c1ccc(C#N)[nH]1	ZINC001363550170	929352857	/nfs/dbraw/zinc/35/28/57/929352857.db2.gz	YNACNVKZRIUCFH-UHFFFAOYSA-N	-1	0	273.300	0.698	20	30		CCEDRM
N#Cc1c(NC(=O)CCCc2nnn[n-]2)n[nH]c1C1CC1	ZINC001363557046	929362586	/nfs/dbraw/zinc/36/25/86/929362586.db2.gz	HAPZZJFBSPMZTE-UHFFFAOYSA-N	-1	0	286.299	0.633	20	30		CCEDRM
N#Cc1c[n-]n2c1nc(C[N@@H+]1CC[C@@]3(O)C[C@H]3C1)cc2=O	ZINC001363807040	929597264	/nfs/dbraw/zinc/59/72/64/929597264.db2.gz	NXAOIGLZHZLOLZ-IINYFYTJSA-N	-1	0	285.307	0.263	20	30		CCEDRM
C#CCO[C@@H](C)C(=O)NC(CC)(CC)c1nnn[n-]1	ZINC001449020656	931053234	/nfs/dbraw/zinc/05/32/34/931053234.db2.gz	HBLFQTOVIXFOAF-VIFPVBQESA-N	-1	0	265.317	0.370	20	30		CCEDRM
C#CCCCNC(=O)c1ccc(-n2[nH]c(=O)[n-]c2=O)cc1	ZINC001449019754	931053319	/nfs/dbraw/zinc/05/33/19/931053319.db2.gz	VQPPNZSOFJWFMS-UHFFFAOYSA-N	-1	0	286.291	0.409	20	30		CCEDRM
CC(C)(CC#N)CNC(=O)c1cccc(-n2[n-]nnc2=N)c1	ZINC001451104284	931383642	/nfs/dbraw/zinc/38/36/42/931383642.db2.gz	GMKAREPFAGWADM-UHFFFAOYSA-N	-1	0	299.338	0.745	20	30		CCEDRM
Cc1cc(C#N)cc(NC(=O)c2n[nH]c(=O)[n-]c2=O)c1	ZINC001451393256	931430448	/nfs/dbraw/zinc/43/04/48/931430448.db2.gz	YQLSOMMBDVQBTG-UHFFFAOYSA-N	-1	0	271.236	0.715	20	30		CCEDRM
N#Cc1c(F)cccc1CN1CCO[C@H](C(=O)[O-])C1	ZINC001601083063	970929456	/nfs/dbraw/zinc/92/94/56/970929456.db2.gz	YZUNLSSFVLETQU-LBPRGKRZSA-N	-1	0	264.256	0.983	20	30		CCEDRM
N#Cc1cccnc1-n1cc(NC(=O)CCC(=O)[O-])cn1	ZINC001601127625	970938585	/nfs/dbraw/zinc/93/85/85/970938585.db2.gz	PLNZXRPXARCEKG-UHFFFAOYSA-N	-1	0	285.263	0.942	20	30		CCEDRM
C#CC(=O)N[C@@H]1CCN([C@@H](C(=O)[O-])c2ccccc2)C1=O	ZINC001602671640	971234234	/nfs/dbraw/zinc/23/42/34/971234234.db2.gz	DUWSZNMQYWQCFP-DGCLKSJQSA-N	-1	0	286.287	0.163	20	30		CCEDRM
C#C[C@@H](NC(=O)c1cnc(C(=O)[O-])cn1)C1CCOCC1	ZINC001602671816	971235477	/nfs/dbraw/zinc/23/54/77/971235477.db2.gz	GQZFXKGAUVRSLU-SNVBAGLBSA-N	-1	0	289.291	0.333	20	30		CCEDRM
C#CC1(F)CN(C(=O)Nc2cncc(C(=O)[O-])c2)C1	ZINC001602672364	971237294	/nfs/dbraw/zinc/23/72/94/971237294.db2.gz	MACVZWAZXFDEFM-UHFFFAOYSA-N	-1	0	263.228	0.969	20	30		CCEDRM
C#CC[C@@H](NC(=O)C1(C(=O)[O-])CC=CC1)C(=O)OC	ZINC001602675048	971244731	/nfs/dbraw/zinc/24/47/31/971244731.db2.gz	IXBRBHMVJWNUIZ-SECBINFHSA-N	-1	0	265.265	0.089	20	30		CCEDRM
C#CC[C@H](NC(=O)[C@@]1(C(=O)[O-])CC1(C)C)C(=O)OC	ZINC001602675108	971245942	/nfs/dbraw/zinc/24/59/42/971245942.db2.gz	KWFFPQGECIHYNI-ISVAXAHUSA-N	-1	0	267.281	0.168	20	30		CCEDRM
C#CCC[C@H](O)CNC(=O)[C@]1(C(=O)[O-])CC=CCC1	ZINC001602675237	971246918	/nfs/dbraw/zinc/24/69/18/971246918.db2.gz	NOBYFOQIZPTTAF-FZMZJTMJSA-N	-1	0	265.309	0.688	20	30		CCEDRM
C#CC[C@@H](CCOC)NC(=O)[C@@H]1CC[C@H]1C(=O)[O-]	ZINC001602675402	971248771	/nfs/dbraw/zinc/24/87/71/971248771.db2.gz	URTDAGXHKMKLTB-HBNTYKKESA-N	-1	0	253.298	0.642	20	30		CCEDRM
C#CC[C@@H](COC)NC(=O)[C@]1(C(=O)[O-])CC=CCC1	ZINC001602675421	971248956	/nfs/dbraw/zinc/24/89/56/971248956.db2.gz	VJLLSYKEGZGVRX-FZMZJTMJSA-N	-1	0	265.309	0.952	20	30		CCEDRM
C#CCC1(OC(=O)[C@@H]2CCCN(CC(=O)[O-])C2=O)CCC1	ZINC001602675523	971251048	/nfs/dbraw/zinc/25/10/48/971251048.db2.gz	YFMQNAJHLQYNMJ-LLVKDONJSA-N	-1	0	293.319	0.799	20	30		CCEDRM
C#CCN(C(=O)C(=O)N(C)CCC(=O)[O-])C1CCCC1	ZINC001602675858	971254893	/nfs/dbraw/zinc/25/48/93/971254893.db2.gz	XALCYXAMWCAKBB-UHFFFAOYSA-N	-1	0	280.324	0.324	20	30		CCEDRM
C#CCN(CC(=O)[O-])C(=O)[C@@H]1Cc2cc(F)ccc2O1	ZINC001602682537	971268966	/nfs/dbraw/zinc/26/89/66/971268966.db2.gz	PXWJZIJNEGFCEO-LBPRGKRZSA-N	-1	0	277.251	0.676	20	30		CCEDRM
C#CCN(CC(=O)[O-])C(=O)[C@@H]1CCc2n[nH]cc2C1	ZINC001602682799	971270011	/nfs/dbraw/zinc/27/00/11/971270011.db2.gz	UVZHXAJKKBIOKH-SECBINFHSA-N	-1	0	261.281	0.061	20	30		CCEDRM
C#CCN(CC(=O)[O-])C(=O)Cc1cn2c(C)csc2n1	ZINC001602683617	971274347	/nfs/dbraw/zinc/27/43/47/971274347.db2.gz	HMMBMTJUJQWWRP-UHFFFAOYSA-N	-1	0	291.332	0.793	20	30		CCEDRM
C#CCN(CC(=O)[O-])C(=O)Nc1ccc(CO)cc1	ZINC001602688179	971288362	/nfs/dbraw/zinc/28/83/62/971288362.db2.gz	FRZSGPSOIJRZFB-UHFFFAOYSA-N	-1	0	262.265	0.731	20	30		CCEDRM
C#CCN(CC(=O)[O-])C(=O)c1cc(S(C)(=O)=O)oc1C	ZINC001602691378	971295591	/nfs/dbraw/zinc/29/55/91/971295591.db2.gz	IKGZOOZGEHXRKC-UHFFFAOYSA-N	-1	0	299.304	0.152	20	30		CCEDRM
C#CCN(CC(=O)[O-])C(=O)c1coc(C2CCOCC2)n1	ZINC001602692447	971303102	/nfs/dbraw/zinc/30/31/02/971303102.db2.gz	PPMCPUFMDCAYDO-UHFFFAOYSA-N	-1	0	292.291	0.729	20	30		CCEDRM
C#CCN(CC(=O)[O-])C(=O)c1ccc2cc[nH]c2n1	ZINC001602692559	971304384	/nfs/dbraw/zinc/30/43/84/971304384.db2.gz	TYKUXKQNEZWIQE-UHFFFAOYSA-N	-1	0	257.249	0.723	20	30		CCEDRM
C#CCN(CC(=O)[O-])C[C@H](O)C[C@@H](O)c1ccccc1	ZINC001602695785	971312918	/nfs/dbraw/zinc/31/29/18/971312918.db2.gz	SMRUFQYHABDJFD-ZIAGYGMSSA-N	-1	0	277.320	0.491	20	30		CCEDRM
C#CCN(CC(=O)[O-])[C@H](C)C(=O)Nc1nccs1	ZINC001602695419	971307941	/nfs/dbraw/zinc/30/79/41/971307941.db2.gz	FMHAJNSRBRTTEV-MRVPVSSYSA-N	-1	0	267.310	0.490	20	30		CCEDRM
C#CCN(CC(=O)[O-])S(=O)(=O)C[C@@H](OC)C(C)C	ZINC001602699134	971316062	/nfs/dbraw/zinc/31/60/62/971316062.db2.gz	JNAAELYHAOXART-SNVBAGLBSA-N	-1	0	277.342	0.007	20	30		CCEDRM
C#CCN(CC(=O)[O-])Cc1onc(C)c1[N+](=O)[O-]	ZINC001602699180	971316172	/nfs/dbraw/zinc/31/61/72/971316172.db2.gz	MEHHSXHWIOALOR-UHFFFAOYSA-N	-1	0	253.214	0.411	20	30		CCEDRM
C#CCN(CC(=O)[O-])c1nnnn1CCC(C)(C)F	ZINC001602700700	971320529	/nfs/dbraw/zinc/32/05/29/971320529.db2.gz	FPFDZESCWYKCTP-UHFFFAOYSA-N	-1	0	269.280	0.336	20	30		CCEDRM
C#CCN(CC(=O)[O-])c1nnnn1C[C@@](C)(CC)OC	ZINC001602700846	971322699	/nfs/dbraw/zinc/32/26/99/971322699.db2.gz	LUCBDSWFHJCSRS-GFCCVEGCSA-N	-1	0	281.316	0.012	20	30		CCEDRM
C#CCN(CCC(=O)NC1CCCC1)CC(=O)[O-]	ZINC001602700899	971323550	/nfs/dbraw/zinc/32/35/50/971323550.db2.gz	NIEUGUXSEFWGRW-UHFFFAOYSA-N	-1	0	252.314	0.455	20	30		CCEDRM
C=C(CO)C(=O)NC[C@](C)(C(=O)[O-])c1ccccc1	ZINC001602712090	971353197	/nfs/dbraw/zinc/35/31/97/971353197.db2.gz	GLVCNBCNQDOOND-AWEZNQCLSA-N	-1	0	263.293	0.694	20	30		CCEDRM
C=C1CCN(C(=O)NCCOCCOCC(=O)[O-])CC1	ZINC001602713017	971359154	/nfs/dbraw/zinc/35/91/54/971359154.db2.gz	HRLPCBGDGDMTQT-UHFFFAOYSA-N	-1	0	286.328	0.466	20	30		CCEDRM
C=CC1(OC(=O)[C@@H]2CCCN(CC(=O)[O-])C2=O)CC1	ZINC001602717558	971369621	/nfs/dbraw/zinc/36/96/21/971369621.db2.gz	RELIPDORTGHCCY-SECBINFHSA-N	-1	0	267.281	0.571	20	30		CCEDRM
C=CCC[C@H](NC(=O)[C@@]1(C(=O)[O-])CCCO1)C(=O)OCC	ZINC001602719153	971381573	/nfs/dbraw/zinc/38/15/73/971381573.db2.gz	SUOMMQWACFVVRV-IINYFYTJSA-N	-1	0	299.323	0.634	20	30		CCEDRM
C=CCC[C@H](NC(=O)[C@]1(C(=O)[O-])CCCO1)C(=O)OCC	ZINC001602719152	971381669	/nfs/dbraw/zinc/38/16/69/971381669.db2.gz	SUOMMQWACFVVRV-HZMBPMFUSA-N	-1	0	299.323	0.634	20	30		CCEDRM
C=CC[C@H](CO)CNC(=O)C1(C(=O)[O-])CC=CC1	ZINC001602718427	971374524	/nfs/dbraw/zinc/37/45/24/971374524.db2.gz	MLBZGQMHQZEPQG-JTQLQIEISA-N	-1	0	253.298	0.708	20	30		CCEDRM
C=CCCn1cc(C(=O)Nc2c[nH]nc2C(=O)[O-])nn1	ZINC001602722022	971386024	/nfs/dbraw/zinc/38/60/24/971386024.db2.gz	QBKPGKLMQIENHS-UHFFFAOYSA-N	-1	0	276.256	0.528	20	30		CCEDRM
C=CCn1cnn(CN2CC[C@@H](C(=O)[O-])C2)c1=S	ZINC001602730910	971410004	/nfs/dbraw/zinc/41/00/04/971410004.db2.gz	KELVGGPHATXSLN-SECBINFHSA-N	-1	0	268.342	0.964	20	30		CCEDRM
CC(N=Nc1ncccc1C(=O)[O-])c1cn(C)nn1	ZINC001602736928	971427856	/nfs/dbraw/zinc/42/78/56/971427856.db2.gz	GBUYMZZNJDVNLC-UHFFFAOYSA-N	-1	0	260.257	0.744	20	30		CCEDRM
C[C@](C#N)(CC(=O)[O-])C(=O)N1C[C@H]2CCC[C@@H](C1)C2O	ZINC001602779223	971515071	/nfs/dbraw/zinc/51/50/71/971515071.db2.gz	UFORFBOZNQQSMN-RDCSUEHQSA-N	-1	0	280.324	0.610	20	30		CCEDRM
C[C@H](C#N)OCCOC(=O)C1(CC(=O)[O-])CCOCC1	ZINC001602786356	971533049	/nfs/dbraw/zinc/53/30/49/971533049.db2.gz	MWARZIFDCXJAPH-SNVBAGLBSA-N	-1	0	285.296	0.730	20	30		CCEDRM
C#CCN(CC(=O)[O-])C(=O)c1cc(OC)ccc1OC	ZINC000092477765	949147835	/nfs/dbraw/zinc/14/78/35/949147835.db2.gz	PFEHSJRAPBGJSQ-UHFFFAOYSA-N	-1	0	277.276	0.864	20	30		CCEDRM
C#CCN(CC(=O)[O-])C(=O)CNC(=O)c1cccc(F)c1	ZINC000092478410	949149699	/nfs/dbraw/zinc/14/96/99/949149699.db2.gz	JRKQYLCEVLCBNB-UHFFFAOYSA-N	-1	0	292.266	0.102	20	30		CCEDRM
C#CCN(CC(=O)[O-])C(=O)c1cc(OC)ccc1O	ZINC000092479221	949151870	/nfs/dbraw/zinc/15/18/70/949151870.db2.gz	JAIWNAOSHLCKKJ-UHFFFAOYSA-N	-1	0	263.249	0.561	20	30		CCEDRM
C#CCN(CC(=O)[O-])CC(=O)Nc1ccc(F)cc1F	ZINC000092483516	949157395	/nfs/dbraw/zinc/15/73/95/949157395.db2.gz	AFZPOUAVGZSXRL-UHFFFAOYSA-N	-1	0	282.246	0.923	20	30		CCEDRM
C#CCN(CC(=O)[O-])C(=O)N[C@@H]1C[C@H]2CC[C@@H]1O2	ZINC000133089208	949320786	/nfs/dbraw/zinc/32/07/86/949320786.db2.gz	MDLNRWKIZHSZGB-BBBLOLIVSA-N	-1	0	252.270	0.036	20	30		CCEDRM
N#CCSCC(=O)NCC1(C(=O)[O-])CCOCC1	ZINC000138137384	949341622	/nfs/dbraw/zinc/34/16/22/949341622.db2.gz	QRYHCXKXBDEVOL-UHFFFAOYSA-N	-1	0	272.326	0.241	20	30		CCEDRM
C=C(C)COCCNC(=O)NC[C@@H](CC)C(=O)[O-]	ZINC000164115819	949409428	/nfs/dbraw/zinc/40/94/28/949409428.db2.gz	DRWCPDRCLKBZQG-SNVBAGLBSA-N	-1	0	258.318	0.989	20	30		CCEDRM
O=C([O-])c1cccc(C=Nn2ccc(=O)[nH]c2=O)c1	ZINC001595242237	949481152	/nfs/dbraw/zinc/48/11/52/949481152.db2.gz	SRQSWOKGDDINLL-UHFFFAOYSA-N	-1	0	259.221	0.529	20	30		CCEDRM
N#CCCNC(=O)CSc1nc(C(=O)[O-])cs1	ZINC000379033452	971593317	/nfs/dbraw/zinc/59/33/17/971593317.db2.gz	YDDZGDPJVIJEDV-UHFFFAOYSA-N	-1	0	271.323	0.963	20	30		CCEDRM
O=C([O-])c1cccnc1N=NC1CCS(=O)(=O)C1	ZINC001595261421	949667207	/nfs/dbraw/zinc/66/72/07/949667207.db2.gz	AIRGMGBDQPUBQK-UHFFFAOYSA-N	-1	0	269.282	0.366	20	30		CCEDRM
CCN(C[C@H](C)C#N)C(=O)CN(CC)[C@@H](C)C(=O)[O-]	ZINC001589719345	950402751	/nfs/dbraw/zinc/40/27/51/950402751.db2.gz	DCRQRXHKXXYBAX-MNOVXSKESA-N	-1	0	269.345	0.790	20	30		CCEDRM
CCN(C[C@@H](C)C#N)C(=O)CN([C@H](C)C(=O)[O-])C1CC1	ZINC001589720608	950418004	/nfs/dbraw/zinc/41/80/04/950418004.db2.gz	SMPQOJDGBFBZJG-WDEREUQCSA-N	-1	0	281.356	0.932	20	30		CCEDRM
CC(C)(C)[C@@H](C#N)NC(=O)[C@@H]1CC(C(=O)[O-])=NO1	ZINC001602847164	971682623	/nfs/dbraw/zinc/68/26/23/971682623.db2.gz	HXXIJAYVOKCLLC-JGVFFNPUSA-N	-1	0	253.258	0.270	20	30		CCEDRM
C=CCNC(=O)CNC(=O)NCCCCCC(=O)[O-]	ZINC000393811263	951441538	/nfs/dbraw/zinc/44/15/38/951441538.db2.gz	IQVIBILAAMBQDZ-UHFFFAOYSA-N	-1	0	271.317	0.233	20	30		CCEDRM
O=C([O-])CCNC(=O)C(=O)/C=C/c1ccc(F)cc1	ZINC001595056164	951502646	/nfs/dbraw/zinc/50/26/46/951502646.db2.gz	QOODCQCRRIZOKM-ZZXKWVIFSA-N	-1	0	265.240	0.999	20	30		CCEDRM
O=C([O-])Cn1cccc1C=NNc1ncnc2[nH]cnc21	ZINC001595158293	952178721	/nfs/dbraw/zinc/17/87/21/952178721.db2.gz	QVRGNEHWDSJSTO-UHFFFAOYSA-N	-1	0	285.267	0.685	20	30		CCEDRM
CC[C@@H](NC(=O)CNc1ccc(C#N)cn1)C(=O)[O-]	ZINC001593601316	953410129	/nfs/dbraw/zinc/41/01/29/953410129.db2.gz	ARPOZJJRLRBXIJ-SECBINFHSA-N	-1	0	262.269	0.345	20	30		CCEDRM
C[C@@H]1CC[C@@H](CNC(=O)[C@](C)(C#N)CC(=O)[O-])O1	ZINC001589324343	953888753	/nfs/dbraw/zinc/88/87/53/953888753.db2.gz	UIVOLRCEYIWIQM-PTRXPTGYSA-N	-1	0	254.286	0.675	20	30		CCEDRM
C[C@@H]1CCN(Cn2cccc(C#N)c2=O)C[C@@H]1C(=O)[O-]	ZINC001589356062	954143771	/nfs/dbraw/zinc/14/37/71/954143771.db2.gz	YUGGJGRBKNMYFO-PWSUYJOCSA-N	-1	0	275.308	0.720	20	30		CCEDRM
CN(CC(=O)[O-])Cc1cn([C@H](C#N)c2ccccc2)nn1	ZINC001593722557	954259798	/nfs/dbraw/zinc/25/97/98/954259798.db2.gz	JCHYMMWEXWPUKE-CYBMUJFWSA-N	-1	0	285.307	0.907	20	30		CCEDRM
CN(Cc1cc(C#N)cs1)C(=O)C(=O)NCCC(=O)[O-]	ZINC001593756878	954460819	/nfs/dbraw/zinc/46/08/19/954460819.db2.gz	KOELGXCMSPAXSF-UHFFFAOYSA-N	-1	0	295.320	0.169	20	30		CCEDRM
CCC(=O)N1CCN(C(=O)[C@@](C)(C#N)CC(=O)[O-])C1	ZINC001589425920	954618423	/nfs/dbraw/zinc/61/84/23/954618423.db2.gz	UVRWUKYOIGKMNB-GFCCVEGCSA-N	-1	0	267.285	0.029	20	30		CCEDRM
CC[C@@H](C#N)OC(=O)c1cccn(CC(=O)[O-])c1=O	ZINC001589426477	954627412	/nfs/dbraw/zinc/62/74/12/954627412.db2.gz	LEVABMDEIIEVIY-QMMMGPOBSA-N	-1	0	264.237	0.392	20	30		CCEDRM
CC[C@H](C(=O)[O-])N(C)C(=O)C1(C#N)CCOCC1	ZINC001589432177	954652915	/nfs/dbraw/zinc/65/29/15/954652915.db2.gz	COOAERLKIJZQDM-SECBINFHSA-N	-1	0	254.286	0.628	20	30		CCEDRM
CC[C@@H](C(=O)[O-])N(C)CC(=O)N(CC)CCC#N	ZINC001589441065	954716443	/nfs/dbraw/zinc/71/64/43/954716443.db2.gz	QJSHCAKQBOBNGJ-JTQLQIEISA-N	-1	0	255.318	0.544	20	30		CCEDRM
COC(=O)C(C)(C)CCNC(=O)[C@](C)(C#N)CC(=O)[O-]	ZINC001593804224	954879943	/nfs/dbraw/zinc/87/99/43/954879943.db2.gz	HPTUIVZAWJEKLA-ZDUSSCGKSA-N	-1	0	284.312	0.696	20	30		CCEDRM
COC(=O)[C@@H](CNC(=O)[C@@](C)(C#N)CC(=O)[O-])CC1CC1	ZINC001593806497	954910159	/nfs/dbraw/zinc/91/01/59/954910159.db2.gz	IFRRTFUVIJJPDQ-QMTHXVAHSA-N	-1	0	296.323	0.696	20	30		CCEDRM
Cn1nc(C(=O)[O-])cc1C(=O)N(CCC#N)CC1CC1	ZINC001594564480	955825681	/nfs/dbraw/zinc/82/56/81/955825681.db2.gz	VHWKNTOGLQNQBX-UHFFFAOYSA-N	-1	0	276.296	0.884	20	30		CCEDRM
CO[C@](C)(C(=O)[O-])C(=O)NCc1ccc(C#N)cc1	ZINC001593925806	956123677	/nfs/dbraw/zinc/12/36/77/956123677.db2.gz	ITEFOGFAKQIAOB-ZDUSSCGKSA-N	-1	0	262.265	0.664	20	30		CCEDRM
N#CC1(NC(=O)c2cnc(C(=O)[O-])cn2)CCCC1	ZINC001594603116	956153265	/nfs/dbraw/zinc/15/32/65/956153265.db2.gz	XQFKNOYDZGVGNR-UHFFFAOYSA-N	-1	0	260.253	0.741	20	30		CCEDRM
N#CCC1CCN(C(=O)c2cc(C(=O)[O-])n[nH]2)CC1	ZINC001594606199	956178727	/nfs/dbraw/zinc/17/87/27/956178727.db2.gz	QHSVMQJAYZRHJF-UHFFFAOYSA-N	-1	0	262.269	0.874	20	30		CCEDRM
N#CCCCNC(=O)C(=O)Nc1cccc(C(=O)[O-])c1	ZINC001594609246	956192339	/nfs/dbraw/zinc/19/23/39/956192339.db2.gz	YWKPIJGQSOIIRE-UHFFFAOYSA-N	-1	0	275.264	0.743	20	30		CCEDRM
N#CCN1CCC(OC(=O)c2cnc(C(=O)[O-])cn2)CC1	ZINC001594609511	956192969	/nfs/dbraw/zinc/19/29/69/956192969.db2.gz	BWNRAZFOMDCMLA-UHFFFAOYSA-N	-1	0	290.279	0.320	20	30		CCEDRM
N#CCN(CC#N)C(=O)c1ccc(OCC(=O)[O-])cc1	ZINC001594609507	956193612	/nfs/dbraw/zinc/19/36/12/956193612.db2.gz	BMLPWSVZNNNTQU-UHFFFAOYSA-N	-1	0	273.248	0.639	20	30		CCEDRM
N#CCN(CC#N)C(=O)/C=C/c1ccc(C(=O)[O-])o1	ZINC001594609832	956195813	/nfs/dbraw/zinc/19/58/13/956195813.db2.gz	LXABYCBYCUAALS-DUXPYHPUSA-N	-1	0	259.221	0.867	20	30		CCEDRM
N#CCN(C(=O)[C@@H]1CO[C@H](CCC(=O)[O-])C1)C1CC1	ZINC001594610571	956205095	/nfs/dbraw/zinc/20/50/95/956205095.db2.gz	YHSGSHVNVLMASR-GXSJLCMTSA-N	-1	0	266.297	0.771	20	30		CCEDRM
N#CCn1cc(NC(=O)CCCCC(=O)[O-])cn1	ZINC001594610651	956205432	/nfs/dbraw/zinc/20/54/32/956205432.db2.gz	AMRXAJBMLOQCES-UHFFFAOYSA-N	-1	0	250.258	0.990	20	30		CCEDRM
N#C[C@H]1CC[C@@H](NC(=O)Nc2ccn(CC(=O)[O-])n2)C1	ZINC001594611753	956220254	/nfs/dbraw/zinc/22/02/54/956220254.db2.gz	BUXPXXDPMCESEX-DTWKUNHWSA-N	-1	0	277.284	0.781	20	30		CCEDRM
N#Cc1ccc(C(=O)O[C@@H]2CCN(CC(=O)[O-])C2=O)cc1	ZINC001594617563	956251162	/nfs/dbraw/zinc/25/11/62/956251162.db2.gz	FLSYLUHMWBEXIX-LLVKDONJSA-N	-1	0	288.259	0.401	20	30		CCEDRM
N#Cc1ccc([C@@H](O)C(=O)N2CCC[C@@H](C(=O)[O-])C2)cc1	ZINC001594617805	956255104	/nfs/dbraw/zinc/25/51/04/956255104.db2.gz	MFDBXSDCPDDTJV-CHWSQXEVSA-N	-1	0	288.303	0.915	20	30		CCEDRM
N#Cc1ccc(CNC(=O)C2(C(=O)[O-])CC=CC2)nc1	ZINC001594620210	956275124	/nfs/dbraw/zinc/27/51/24/956275124.db2.gz	BQVREWISWUQQTL-UHFFFAOYSA-N	-1	0	271.276	0.990	20	30		CCEDRM
N#Cc1cccc(C(=O)O[C@H]2CCN(CC(=O)[O-])C2=O)c1	ZINC001594625492	956310101	/nfs/dbraw/zinc/31/01/01/956310101.db2.gz	JNSGTXKQNQUZQY-NSHDSACASA-N	-1	0	288.259	0.401	20	30		CCEDRM
N#Cc1cccc(OCC(=O)N[C@H]2C[C@@H](C(=O)[O-])C2)c1	ZINC001594628366	956329945	/nfs/dbraw/zinc/32/99/45/956329945.db2.gz	MYJIZCQAMJLSEP-PHIMTYICSA-N	-1	0	274.276	0.916	20	30		CCEDRM
N#Cc1ccncc1N[C@H]1CCCCN(CC(=O)[O-])C1=O	ZINC001594631716	956344166	/nfs/dbraw/zinc/34/41/66/956344166.db2.gz	LWDWIUMIJJQGNZ-NSHDSACASA-N	-1	0	288.307	0.831	20	30		CCEDRM
N#Cc1ccsc1C(=O)O[C@H]1CCN(CC(=O)[O-])C1=O	ZINC001594631768	956345132	/nfs/dbraw/zinc/34/51/32/956345132.db2.gz	MMJPGCZSLBKLFC-QMMMGPOBSA-N	-1	0	294.288	0.462	20	30		CCEDRM
CC(C)[C@](C)(C#N)NC(=O)[C@H](C)OC(=O)CCC(=O)[O-]	ZINC001589155208	956369504	/nfs/dbraw/zinc/36/95/04/956369504.db2.gz	DVQBGLBAJCNFIU-ZANVPECISA-N	-1	0	284.312	0.837	20	30		CCEDRM
COCC#CC(=O)N1CCCC[C@@H]1CCC(=O)[O-]	ZINC001593950625	956379104	/nfs/dbraw/zinc/37/91/04/956379104.db2.gz	DOHSSZVQHPNLBI-LLVKDONJSA-N	-1	0	253.298	0.882	20	30		CCEDRM
C[C@]1(C#N)CN(C(=O)NCCCCC(=O)[O-])CCO1	ZINC001589181254	956520378	/nfs/dbraw/zinc/52/03/78/956520378.db2.gz	CILXSFBAFJSVNR-LBPRGKRZSA-N	-1	0	269.301	0.565	20	30		CCEDRM
C[C@@]1(C(=O)[O-])CCN(C(=O)c2cccc(C#N)n2)C1	ZINC001589196805	956617804	/nfs/dbraw/zinc/61/78/04/956617804.db2.gz	YYTUYQBDDYMKQE-CYBMUJFWSA-N	-1	0	259.265	0.890	20	30		CCEDRM
COCC[C@](C)(C#N)NC(=O)[C@H]1CC[C@@H](C(=O)[O-])C1	ZINC001593989802	956824842	/nfs/dbraw/zinc/82/48/42/956824842.db2.gz	FWPSDABNZYBBAK-OPQQBVKSSA-N	-1	0	268.313	0.922	20	30		CCEDRM
O=C([O-])[C@@H]1CC[C@@H]1C(=O)NCC#C[C@H]1CCCCO1	ZINC001594736683	957076912	/nfs/dbraw/zinc/07/69/12/957076912.db2.gz	HLWONGZMMTXRQQ-GRYCIOLGSA-N	-1	0	265.309	0.786	20	30		CCEDRM
C[C@@H](CNC(=O)N1C[C@@H](C)N(CC#N)[C@@H](C)C1)C(=O)[O-]	ZINC001603174810	972272776	/nfs/dbraw/zinc/27/27/76/972272776.db2.gz	XSHFGVHTAPWPKM-GARJFASQSA-N	-1	0	282.344	0.335	20	30		CCEDRM
COC(=O)CC[C@@H](NC(=O)c1ccc(C#N)cc1)C(=O)[O-]	ZINC000059943298	957566820	/nfs/dbraw/zinc/56/68/20/957566820.db2.gz	TZFKOZBJDSMUIR-LLVKDONJSA-N	-1	0	290.275	0.694	20	30		CCEDRM
C#C[C@H](NC(=O)Nc1ccn(CC(=O)[O-])n1)[C@@H]1CCCO1	ZINC001588385320	957970072	/nfs/dbraw/zinc/97/00/72/957970072.db2.gz	DSXUZUORKVTOBA-UWVGGRQHSA-N	-1	0	292.295	0.270	20	30		CCEDRM
C#C[C@H]1CCCCN1C(=O)C(=O)NC[C@H](CC)C(=O)[O-]	ZINC001588385984	957974800	/nfs/dbraw/zinc/97/48/00/957974800.db2.gz	MLAVVAUWQCIJKK-QWRGUYRKSA-N	-1	0	280.324	0.228	20	30		CCEDRM
C#C[C@H](NC(=O)NC[C@@H](CC)C(=O)[O-])C1CCOCC1	ZINC001588386359	957976992	/nfs/dbraw/zinc/97/69/92/957976992.db2.gz	PLEZQOARYABEQG-PWSUYJOCSA-N	-1	0	282.340	0.825	20	30		CCEDRM
C#CC[C@H](CO)NC(=O)NC[C@H](CC(=O)[O-])CC(C)C	ZINC001588388773	957999989	/nfs/dbraw/zinc/99/99/89/957999989.db2.gz	GBIUUEGQXJQSJK-NWDGAFQWSA-N	-1	0	284.356	0.807	20	30		CCEDRM
C#CCC(C)(C)C(=O)N1CCO[C@@](COC)(C(=O)[O-])C1	ZINC001588388800	958000742	/nfs/dbraw/zinc/00/07/42/958000742.db2.gz	GQVWZWSQXOIAIL-AWEZNQCLSA-N	-1	0	283.324	0.365	20	30		CCEDRM
C#CC[C@H](COC)OC(=O)c1ccc(C(=O)[O-])nc1	ZINC001588388926	958001207	/nfs/dbraw/zinc/00/12/07/958001207.db2.gz	ILZTXCITJMPOMQ-SNVBAGLBSA-N	-1	0	263.249	0.975	20	30		CCEDRM
C#CCCN(CCOC)C(=O)[C@@H]1CO[C@H](CCC(=O)[O-])C1	ZINC001588390783	958013226	/nfs/dbraw/zinc/01/32/26/958013226.db2.gz	IGWNOZVLEDAXSZ-QWHCGFSZSA-N	-1	0	297.351	0.755	20	30		CCEDRM
N#CCCNC(=O)CN1Cc2ccccc2[C@H](C(=O)[O-])C1	ZINC000087612205	958021071	/nfs/dbraw/zinc/02/10/71/958021071.db2.gz	SYPGMHLTTTVKCN-CYBMUJFWSA-N	-1	0	287.319	0.700	20	30		CCEDRM
C#CCN(CC(=O)[O-])C(=O)[C@H](O)c1cccc([N+](=O)[O-])c1	ZINC001588397830	958064629	/nfs/dbraw/zinc/06/46/29/958064629.db2.gz	VVEGZPUPFDNHTO-GFCCVEGCSA-N	-1	0	292.247	0.175	20	30		CCEDRM
C#CCN(CC(=O)[O-])C(=O)[C@@H]1CC(=O)N([C@H](C)CCC)C1	ZINC001588398675	958067559	/nfs/dbraw/zinc/06/75/59/958067559.db2.gz	BCPQWGSPPQDZSE-VXGBXAGGSA-N	-1	0	294.351	0.570	20	30		CCEDRM
C#CCN(CC(=O)[O-])C(=O)[C@H]1COc2ccc(O)cc2O1	ZINC001588399246	958070686	/nfs/dbraw/zinc/07/06/86/958070686.db2.gz	HVWXDGUDYIQEGQ-GFCCVEGCSA-N	-1	0	291.259	0.078	20	30		CCEDRM
Cc1cc(NC(=O)COCC(=O)[O-])n(CCC#N)n1	ZINC001594316868	958072570	/nfs/dbraw/zinc/07/25/70/958072570.db2.gz	SXPJEFISRPNHHT-UHFFFAOYSA-N	-1	0	266.257	0.145	20	30		CCEDRM
C#CCN(CC(=O)[O-])C(=O)CN1C(=C)c2ccccc2C1=O	ZINC001588402336	958090285	/nfs/dbraw/zinc/09/02/85/958090285.db2.gz	RLLXGWYRYBGGAY-UHFFFAOYSA-N	-1	0	298.298	0.660	20	30		CCEDRM
C#CCN(CC(=O)[O-])C(=O)CC1CCN(OCC)CC1	ZINC001588402557	958093871	/nfs/dbraw/zinc/09/38/71/958093871.db2.gz	XJRFWHLULANESM-UHFFFAOYSA-N	-1	0	282.340	0.586	20	30		CCEDRM
COc1cc(NC(=O)[C@@](C)(C#N)CC(=O)[O-])nn1C	ZINC001594062396	958102124	/nfs/dbraw/zinc/10/21/24/958102124.db2.gz	XVDJMFGHAQNANC-LLVKDONJSA-N	-1	0	266.257	0.372	20	30		CCEDRM
C#CCN(CC(=O)[O-])C(=O)NC[C@H]1CCO[C@H]1C(=C)C	ZINC001588408700	958116217	/nfs/dbraw/zinc/11/62/17/958116217.db2.gz	ZKSKNASKJWNWEX-YPMHNXCESA-N	-1	0	280.324	0.697	20	30		CCEDRM
C#CCN(CC(=O)[O-])C(=O)N[C@@H](C)c1ccn(C)n1	ZINC001588409816	958132123	/nfs/dbraw/zinc/13/21/23/958132123.db2.gz	KWADZLDBUJCMCS-VIFPVBQESA-N	-1	0	264.285	0.211	20	30		CCEDRM
COc1cc(OC(=O)[C@](C)(OC)C(=O)[O-])ccc1C#N	ZINC001594066424	958137257	/nfs/dbraw/zinc/13/72/57/958137257.db2.gz	KTKJHJMZXNMFGX-CYBMUJFWSA-N	-1	0	279.248	0.962	20	30		CCEDRM
C#CCN(CC(=O)[O-])C(=O)c1ccc(-n2cc[nH]c2=O)cc1	ZINC001588416443	958164807	/nfs/dbraw/zinc/16/48/07/958164807.db2.gz	OBIMGGKWULNJIF-UHFFFAOYSA-N	-1	0	299.286	0.738	20	30		CCEDRM
C#CCN(CC(=O)[O-])C(=O)c1[nH]nc([N+](=O)[O-])c1Cl	ZINC001588417503	958174239	/nfs/dbraw/zinc/17/42/39/958174239.db2.gz	RRRAZXMUJAMUHZ-UHFFFAOYSA-N	-1	0	286.631	0.131	20	30		CCEDRM
C#CCN(CC(=O)[O-])C(=O)c1n[nH]c2c1CCCCC2	ZINC001588418351	958177913	/nfs/dbraw/zinc/17/79/13/958177913.db2.gz	BSMRDXQLFUVXDJ-UHFFFAOYSA-N	-1	0	275.308	0.839	20	30		CCEDRM
C#CCN(CC(=O)[O-])C(=O)c1ccc(OCC)nc1	ZINC001588419028	958189002	/nfs/dbraw/zinc/18/90/02/958189002.db2.gz	MTKCNLGFBLRWDA-UHFFFAOYSA-N	-1	0	262.265	0.640	20	30		CCEDRM
C#CCN(CC(=O)[O-])[C@H]1CCC2(C[C@@H]1F)OCCO2	ZINC001588419925	958196609	/nfs/dbraw/zinc/19/66/09/958196609.db2.gz	IBEAACVXKFJSQU-QWRGUYRKSA-N	-1	0	271.288	0.640	20	30		CCEDRM
C#CCN(CC(=O)[O-])C(=S)Nc1ccc(C(N)=O)cc1	ZINC001588420145	958199909	/nfs/dbraw/zinc/19/99/09/958199909.db2.gz	NIIHWIBQMPGVRT-UHFFFAOYSA-N	-1	0	291.332	0.502	20	30		CCEDRM
C#CCN(CC(=O)[O-])Cc1ccc(S(C)(=O)=O)s1	ZINC001588424616	958218189	/nfs/dbraw/zinc/21/81/89/958218189.db2.gz	UMIXTTASERTESA-UHFFFAOYSA-N	-1	0	287.362	0.671	20	30		CCEDRM
C#CCN(CC(=O)[O-])c1nnc(-c2ccnn2C)n1CC	ZINC001588426190	958227896	/nfs/dbraw/zinc/22/78/96/958227896.db2.gz	BPFKIWBBGGXCAM-UHFFFAOYSA-N	-1	0	288.311	0.223	20	30		CCEDRM
C#CCN(CC(=O)[O-])c1nnc([C@@H](O)CC(C)(C)C)n1C	ZINC001588426942	958236469	/nfs/dbraw/zinc/23/64/69/958236469.db2.gz	HMYXLABUOPCDIY-JTQLQIEISA-N	-1	0	294.355	0.809	20	30		CCEDRM
C#CCN(CC(=O)[O-])c1nnc([C@@H](O)C2CC2)n1CC	ZINC001588427127	958240525	/nfs/dbraw/zinc/24/05/25/958240525.db2.gz	NBIHHAIIJAPHCJ-NSHDSACASA-N	-1	0	278.312	0.266	20	30		CCEDRM
C#CCN(CC(=O)[O-])c1nnnn1CCc1ccoc1	ZINC001588427340	958244911	/nfs/dbraw/zinc/24/49/11/958244911.db2.gz	UPENYVXOYAUAAF-UHFFFAOYSA-N	-1	0	275.268	0.033	20	30		CCEDRM
C#CCN(CC(=O)[O-])c1nnc(CCCCC#N)n1C	ZINC001588427442	958245764	/nfs/dbraw/zinc/24/57/64/958245764.db2.gz	XZAFKLLOIBYBOJ-UHFFFAOYSA-N	-1	0	275.312	0.576	20	30		CCEDRM
C#CCN1CCN(C(=O)C2(CC(=O)[O-])CCC2)CC1	ZINC001588429789	958251194	/nfs/dbraw/zinc/25/11/94/958251194.db2.gz	CRNCLAXWFAYIKI-UHFFFAOYSA-N	-1	0	264.325	0.409	20	30		CCEDRM
C#CCOc1ccccc1OC(=O)[C@H](OC)C(=O)[O-]	ZINC001588433182	958292483	/nfs/dbraw/zinc/29/24/83/958292483.db2.gz	MCSYPVVTPIJVDX-LLVKDONJSA-N	-1	0	264.233	0.704	20	30		CCEDRM
C#C[C@H]1CC[C@H](NC(=O)C(=O)NCCCC(=O)[O-])CC1	ZINC001588433148	958292706	/nfs/dbraw/zinc/29/27/06/958292706.db2.gz	LDNCWZMURALHAB-XYPYZODXSA-N	-1	0	280.324	0.276	20	30		CCEDRM
C#Cc1ccc(NC(=O)C(=O)N[C@H](C)CC(=O)[O-])cc1	ZINC001588438964	958308261	/nfs/dbraw/zinc/30/82/61/958308261.db2.gz	LGYSARDNNYABKE-SECBINFHSA-N	-1	0	274.276	0.586	20	30		CCEDRM
C=C(CCC(=O)OC)C(=O)N1CC[C@@](COC)(C(=O)[O-])C1	ZINC001588444702	958364615	/nfs/dbraw/zinc/36/46/15/958364615.db2.gz	OKZJMRDUQGZWFB-CQSZACIVSA-N	-1	0	299.323	0.446	20	30		CCEDRM
C=C[C@H](C)ONC(=O)N[C@H]1CCCCN(CC(=O)[O-])C1=O	ZINC001588450730	958399280	/nfs/dbraw/zinc/39/92/80/958399280.db2.gz	AONSZNIJKDLOLA-UWVGGRQHSA-N	-1	0	299.327	0.257	20	30		CCEDRM
COc1ccc(C[NH2+][C@H](CC(=O)[O-])C(=O)[O-])cc1C#N	ZINC001594096239	958406538	/nfs/dbraw/zinc/40/65/38/958406538.db2.gz	VJAWDAFVFSYKMS-SNVBAGLBSA-N	-1	0	278.264	0.584	20	30		CCEDRM
C=C[C@@H](O)c1nnc(N2CCC(C(=O)[O-])CC2)n1CC	ZINC001588452290	958420221	/nfs/dbraw/zinc/42/02/21/958420221.db2.gz	MPIGBXONYOSPTO-SNVBAGLBSA-N	-1	0	280.328	0.818	20	30		CCEDRM
C=C[C@H](O)c1nnc(N2CCC(C(=O)[O-])CC2)n1C	ZINC001588452196	958420398	/nfs/dbraw/zinc/42/03/98/958420398.db2.gz	KWXQYYYHNHRKGB-VIFPVBQESA-N	-1	0	266.301	0.336	20	30		CCEDRM
C=CCN(C(=O)C(=O)N(C)C[C@@H](C)C(=O)[O-])C1CC1	ZINC001588460471	958476260	/nfs/dbraw/zinc/47/62/60/958476260.db2.gz	JOAYHIIZTRHTEJ-SECBINFHSA-N	-1	0	268.313	0.343	20	30		CCEDRM
C#CCN1CCC[C@@H](NC(=O)NCC2(C(=O)[O-])CCC2)C1	ZINC001573327354	958488358	/nfs/dbraw/zinc/48/83/58/958488358.db2.gz	LMRPGMTVILWODL-GFCCVEGCSA-N	-1	0	293.367	0.638	20	30		CCEDRM
C=CCOCc1nnc(N2CCC[C@@H](C(=O)[O-])C2)n1C	ZINC001588466263	958508388	/nfs/dbraw/zinc/50/83/88/958508388.db2.gz	FYCHFDGXLOMRSF-SNVBAGLBSA-N	-1	0	280.328	0.819	20	30		CCEDRM
C=CCO[C@@H]1CCN(C(=O)[C@@H]2CC[C@H]2C(=O)[O-])C1	ZINC001573336483	958518928	/nfs/dbraw/zinc/51/89/28/958518928.db2.gz	AYSZVGADAUNEIC-GMTAPVOTSA-N	-1	0	253.298	0.901	20	30		CCEDRM
CC(=NN[C@@H]1CCCSC1)c1cn(CC(=O)[O-])nn1	ZINC001588486112	958610047	/nfs/dbraw/zinc/61/00/47/958610047.db2.gz	RLCSSRGSVHLGED-SECBINFHSA-N	-1	0	283.357	0.572	20	30		CCEDRM
Cc1cccc(C#N)c1S(=O)(=O)NC[C@H](C)C(=O)[O-]	ZINC001594386897	958685854	/nfs/dbraw/zinc/68/58/54/958685854.db2.gz	OJZXPLRHOHZBLP-VIFPVBQESA-N	-1	0	282.321	0.866	20	30		CCEDRM
N#Cc1ccc(C(=O)N2CCOC[C@@H]2CC(=O)[O-])cc1	ZINC000129407530	958701394	/nfs/dbraw/zinc/70/13/94/958701394.db2.gz	XTJOMNHELHQFEA-LBPRGKRZSA-N	-1	0	274.276	0.874	20	30		CCEDRM
COc1nc(Cl)c(C=NNCCC(=O)[O-])n1C	ZINC001594156505	958846979	/nfs/dbraw/zinc/84/69/79/958846979.db2.gz	SSPPHAGSPWGEBT-UHFFFAOYSA-N	-1	0	260.681	0.480	20	30		CCEDRM
C[C@](C#N)(CC(=O)[O-])C(=O)N[C@@H]1CC(=O)N(CC2CC2)C1	ZINC001588538672	958944808	/nfs/dbraw/zinc/94/48/08/958944808.db2.gz	MGEKGUHYFQGMCQ-QMTHXVAHSA-N	-1	0	293.323	0.118	20	30		CCEDRM
C[C@@H](C(=O)NCC1(C(=O)[O-])CCC1)n1cnc(C#N)n1	ZINC001588553538	959042138	/nfs/dbraw/zinc/04/21/38/959042138.db2.gz	GXOUOKUZWRFZJA-QMMMGPOBSA-N	-1	0	277.284	0.082	20	30		CCEDRM
C[C@@](C#N)(CC(=O)[O-])C(=O)NC[C@@H]1CCC=CO1	ZINC001588556366	959056468	/nfs/dbraw/zinc/05/64/68/959056468.db2.gz	BTXVYAHDMRHUOV-CABZTGNLSA-N	-1	0	252.270	0.800	20	30		CCEDRM
C[C@](C#N)(CC(=O)[O-])C(=O)NCCc1cnoc1	ZINC001588557282	959065540	/nfs/dbraw/zinc/06/55/40/959065540.db2.gz	IUMDIHPTLQLVIO-LLVKDONJSA-N	-1	0	251.242	0.338	20	30		CCEDRM
C[C@@](C#N)(CC(=O)[O-])C(=O)NCCOC(=O)C1CC1	ZINC001588557709	959071969	/nfs/dbraw/zinc/07/19/69/959071969.db2.gz	KEVGQDBQIVYJNC-LBPRGKRZSA-N	-1	0	268.269	0.060	20	30		CCEDRM
CC#CCCNS(=O)(=O)c1ccc(C(=O)[O-])o1	ZINC000158296095	959086010	/nfs/dbraw/zinc/08/60/10/959086010.db2.gz	XLTUHZIWTILZPK-UHFFFAOYSA-N	-1	0	257.267	0.670	20	30		CCEDRM
Cc1[nH]nc(NC(=O)C2(C(=O)[O-])CC=CC2)c1C#N	ZINC001594441296	959275298	/nfs/dbraw/zinc/27/52/98/959275298.db2.gz	DHESQNDWKRPJSH-UHFFFAOYSA-N	-1	0	260.253	0.949	20	30		CCEDRM
Cc1nc([C@@H](C)NC(=O)[C@](C)(C#N)CC(=O)[O-])no1	ZINC001594449976	959361356	/nfs/dbraw/zinc/36/13/56/959361356.db2.gz	VEELDMGRKOIKCF-KBUNVGBDSA-N	-1	0	266.257	0.560	20	30		CCEDRM
Cc1nnc([C@H]2CCN(C(=O)[C@@](C)(C#N)CC(=O)[O-])C2)[nH]1	ZINC001594452039	959385567	/nfs/dbraw/zinc/38/55/67/959385567.db2.gz	UGSZEAGBCIQWOL-TVQRCGJNSA-N	-1	0	291.311	0.434	20	30		CCEDRM
C[C@@H]1C[C@@]1(C(=O)[O-])C(=O)NC[C@H]1CCCN(CC#N)C1	ZINC001594225470	959422099	/nfs/dbraw/zinc/42/20/99/959422099.db2.gz	MESJIDAXAKAHAA-GYSYKLTISA-N	-1	0	279.340	0.449	20	30		CCEDRM
Cc1nc2ccc(NC(=O)[C@](C)(C#N)CC(=O)[O-])cn2n1	ZINC001594464260	959493162	/nfs/dbraw/zinc/49/31/62/959493162.db2.gz	OSXDFWXKVURMTE-ZDUSSCGKSA-N	-1	0	287.279	0.981	20	30		CCEDRM
C[C@@](O)(CNC(=O)[C@@]1(C#N)CC2CCC1CC2)C(=O)[O-]	ZINC001603256347	972441261	/nfs/dbraw/zinc/44/12/61/972441261.db2.gz	OZJGWOYPVGJLCN-TWZWYRAHSA-N	-1	0	280.324	0.658	20	30		CCEDRM
CC1(C)CCCN(C(=O)c2cn(CC(=O)[O-])nn2)[C@@H]1C#N	ZINC001573667828	959710653	/nfs/dbraw/zinc/71/06/53/959710653.db2.gz	XDDOVJGFKODYKN-SNVBAGLBSA-N	-1	0	291.311	0.517	20	30		CCEDRM
C[C@@H]1[C@@H](CO)CCN1C(=O)[C@@](C)(C#N)CC(=O)[O-]	ZINC001573691301	959784287	/nfs/dbraw/zinc/78/42/87/959784287.db2.gz	VEVAEOMKHCOOSD-KBVBSXBZSA-N	-1	0	254.286	0.220	20	30		CCEDRM
C[C@@H]1CCC[C@](C#N)(NC(=O)c2cn(CC(=O)[O-])nn2)C1	ZINC001573716662	959875569	/nfs/dbraw/zinc/87/55/69/959875569.db2.gz	WBOPLLVXYUHZFP-RNCFNFMXSA-N	-1	0	291.311	0.565	20	30		CCEDRM
N#Cc1cccc(NC(=O)CN2C[C@@H](O)C[C@H]2C(=O)[O-])c1	ZINC000229086390	960057717	/nfs/dbraw/zinc/05/77/17/960057717.db2.gz	KBVXQGPFZCFFGG-RYUDHWBXSA-N	-1	0	289.291	0.017	20	30		CCEDRM
C#C[C@@H](CCC)NC(=O)NCCn1cc(C(=O)[O-])nn1	ZINC000230019278	960108827	/nfs/dbraw/zinc/10/88/27/960108827.db2.gz	BUWPDWKQGYGQBM-VIFPVBQESA-N	-1	0	279.300	0.077	20	30		CCEDRM
Cc1cc(C#N)nc(N2CCO[C@H](CC(=O)[O-])C2)n1	ZINC000231894025	960214539	/nfs/dbraw/zinc/21/45/39/960214539.db2.gz	OARJZZIITDWEOV-SNVBAGLBSA-N	-1	0	262.269	0.337	20	30		CCEDRM
C[C@@H]1[C@@H](C(=O)[O-])CCN1S(=O)(=O)c1cccnc1C#N	ZINC000235310883	960408122	/nfs/dbraw/zinc/40/81/22/960408122.db2.gz	XLNQOEHIUFTISR-BDAKNGLRSA-N	-1	0	295.320	0.437	20	30		CCEDRM
C[C@@H]1C[C@H](C(=O)Nc2cc(CC#N)ccn2)O[C@H]1C(=O)[O-]	ZINC001571035084	960519763	/nfs/dbraw/zinc/51/97/63/960519763.db2.gz	JWBWQBLDAMYKSF-HLUHBDAQSA-N	-1	0	289.291	0.964	20	30		CCEDRM
CC[C@@H](C#N)C(=O)Nc1nc2n(c1C(=O)[O-])CCOC2	ZINC001573758217	960581622	/nfs/dbraw/zinc/58/16/22/960581622.db2.gz	HDCVTMMNRXGAIZ-ZETCQYMHSA-N	-1	0	278.268	0.600	20	30		CCEDRM
CCC(=O)c1cccc(C#N)c1OCC(=O)NCC(=O)[O-]	ZINC001573760163	960609117	/nfs/dbraw/zinc/60/91/17/960609117.db2.gz	WQJPKMLRTXJHGI-UHFFFAOYSA-N	-1	0	290.275	0.731	20	30		CCEDRM
N#Cc1ncccc1S(=O)(=O)N1CCC[C@@H]1C(=O)[O-]	ZINC000236444572	960611568	/nfs/dbraw/zinc/61/15/68/960611568.db2.gz	ZENAXHJVVOAPRX-SECBINFHSA-N	-1	0	281.293	0.191	20	30		CCEDRM
N#Cc1ccc(C(=O)N[C@H](CC2OCCO2)C(=O)[O-])s1	ZINC001571058004	960754194	/nfs/dbraw/zinc/75/41/94/960754194.db2.gz	VGDHSMMAKODTFD-MRVPVSSYSA-N	-1	0	296.304	0.566	20	30		CCEDRM
CCOC(=O)CC[C@@H](C)NC(=O)[C@](C)(C#N)CC(=O)[O-]	ZINC001573894214	961370208	/nfs/dbraw/zinc/37/02/08/961370208.db2.gz	AMQLUUVVAQMLPK-RNCFNFMXSA-N	-1	0	284.312	0.839	20	30		CCEDRM
CC(C)[C@H](C#N)N1CCN(C(=O)C2(C(=O)[O-])CC2)CC1	ZINC001588802275	961430434	/nfs/dbraw/zinc/43/04/34/961430434.db2.gz	VQSHGTAAEMWQSA-NSHDSACASA-N	-1	0	279.340	0.544	20	30		CCEDRM
N#CC1(CNC(=O)NCCOCCOCC(=O)[O-])CCC1	ZINC001574481240	961671741	/nfs/dbraw/zinc/67/17/41/961671741.db2.gz	XJYPQMBZRXWRCY-UHFFFAOYSA-N	-1	0	299.327	0.097	20	30		CCEDRM
N#Cc1ccc(CC(=O)N[C@H]2CC[C@@H](C(=O)[O-])C2)cn1	ZINC001574485999	961681353	/nfs/dbraw/zinc/68/13/53/961681353.db2.gz	ONOVGYDIEPQWRR-MNOVXSKESA-N	-1	0	273.292	0.865	20	30		CCEDRM
N#Cc1cccc(C#N)c1N1C[C@H]2COC[C@@]2(C(=O)[O-])C1	ZINC001574488586	961696861	/nfs/dbraw/zinc/69/68/61/961696861.db2.gz	BXGKIIFHMNRBMT-WFASDCNBSA-N	-1	0	283.287	0.967	20	30		CCEDRM
N#Cc1ccnc(C(=O)Nc2n[nH]cc2C(=O)[O-])c1	ZINC001574493127	961718513	/nfs/dbraw/zinc/71/85/13/961718513.db2.gz	KLQQKASYQKJTIS-UHFFFAOYSA-N	-1	0	257.209	0.627	20	30		CCEDRM
N#Cc1c[nH]nc1NC(=O)C1(CC(=O)[O-])CCOCC1	ZINC001574493493	961718762	/nfs/dbraw/zinc/71/87/62/961718762.db2.gz	MLLXZPSMJPEMHD-UHFFFAOYSA-N	-1	0	278.268	0.491	20	30		CCEDRM
COc1ncc(NC(=O)N2CC[C@H](C(=O)[O-])C2)cc1C#N	ZINC001574053501	962157341	/nfs/dbraw/zinc/15/73/41/962157341.db2.gz	DCDITYMZHAYYDA-QMMMGPOBSA-N	-1	0	290.279	0.900	20	30		CCEDRM
COC(=O)C[C@@H](C)NC(=O)[C@](C)(C#N)CC(=O)[O-]	ZINC001574069394	962240484	/nfs/dbraw/zinc/24/04/84/962240484.db2.gz	AUMCXADRWKRYCE-HQJQHLMTSA-N	-1	0	256.258	0.059	20	30		CCEDRM
COC[C@@]1(C(=O)[O-])CN(Cc2cc(C#N)ccn2)CCO1	ZINC001574147262	962628856	/nfs/dbraw/zinc/62/88/56/962628856.db2.gz	TVXAEZDVCFWJHK-CQSZACIVSA-N	-1	0	291.307	0.255	20	30		CCEDRM
C#Cc1ccc(C(=O)N[C@H]2CCO[C@H]2C(=O)[O-])nc1	ZINC001573312079	962717155	/nfs/dbraw/zinc/71/71/55/962717155.db2.gz	MQWZODGVXWXHAW-GXSJLCMTSA-N	-1	0	260.249	0.035	20	30		CCEDRM
CN(CC(=O)NCC(=O)[O-])Cc1cc(C#N)cs1	ZINC001356068919	962734558	/nfs/dbraw/zinc/73/45/58/962734558.db2.gz	CDYPTBBQEUXDFF-UHFFFAOYSA-N	-1	0	267.310	0.252	20	30		CCEDRM
C[C@H](CC#N)NC(=O)[C@H]1CO[C@@H](CCC(=O)[O-])C1	ZINC001588988125	962774303	/nfs/dbraw/zinc/77/43/03/962774303.db2.gz	UFYJVSRSTNWTJJ-BBBLOLIVSA-N	-1	0	254.286	0.675	20	30		CCEDRM
C#CC[C@H](NS(=O)(=O)c1cn(CC(C)C)cn1)C(=O)[O-]	ZINC000275041474	962817705	/nfs/dbraw/zinc/81/77/05/962817705.db2.gz	RFAZEAMDKGLQLC-JTQLQIEISA-N	-1	0	299.352	0.294	20	30		CCEDRM
C=C(CCC(=O)[O-])C(=O)N1CC[C@H](COCCOC)C1	ZINC001573332193	962827639	/nfs/dbraw/zinc/82/76/39/962827639.db2.gz	KHJKPAXBNXAOIM-LBPRGKRZSA-N	-1	0	285.340	0.919	20	30		CCEDRM
C=C(CCC(=O)[O-])C(=O)NCCn1cnnc1C	ZINC001573333237	962853610	/nfs/dbraw/zinc/85/36/10/962853610.db2.gz	WYNIBFSPFRCURQ-UHFFFAOYSA-N	-1	0	252.274	0.124	20	30		CCEDRM
C[C@@H](CC(=O)[O-])NC(=O)N1CCO[C@](C)(C#N)C1	ZINC001588997331	962861315	/nfs/dbraw/zinc/86/13/15/962861315.db2.gz	BKDYSWUPGJUYBX-GZMMTYOYSA-N	-1	0	255.274	0.174	20	30		CCEDRM
C=CCOC[C@@H](NC(=O)c1cnn(CCC)c1C)C(=O)[O-]	ZINC001526720998	962880515	/nfs/dbraw/zinc/88/05/15/962880515.db2.gz	HFKOFPPXFDHRRC-GFCCVEGCSA-N	-1	0	295.339	0.987	20	30		CCEDRM
C=C(Cl)CN1CCC[C@@H](NC(=O)CNC(=O)[O-])[C@H]1C	ZINC001573338901	962882885	/nfs/dbraw/zinc/88/28/85/962882885.db2.gz	KLPSOABMEDHVTJ-NXEZZACHSA-N	-1	0	289.763	0.976	20	30		CCEDRM
C=C(Cl)CN1CC[C@@H]1CN(C)C(=O)CNC(=O)[O-]	ZINC001573338877	962883751	/nfs/dbraw/zinc/88/37/51/962883751.db2.gz	JUWDTXWQMQJUSD-SECBINFHSA-N	-1	0	275.736	0.539	20	30		CCEDRM
C=C(Cl)C[N@@H+]1C[C@@H]2[C@@H](CNC(=O)CNC(=O)[O-])[C@@H]2C1	ZINC001573339707	962894304	/nfs/dbraw/zinc/89/43/04/962894304.db2.gz	WMPYFHWQPHPILB-OWUUHHOZSA-N	-1	0	287.747	0.301	20	30		CCEDRM
C=C1CCC(C(=O)N(C)CCNC(=O)CNC(=O)[O-])CC1	ZINC001573343290	962902521	/nfs/dbraw/zinc/90/25/21/962902521.db2.gz	CGOFLJHWHBNTRW-UHFFFAOYSA-N	-1	0	297.355	0.575	20	30		CCEDRM
C=C(Cl)CN1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1C[C@@H]1C(=O)[O-]	ZINC001573344308	962915778	/nfs/dbraw/zinc/91/57/78/962915778.db2.gz	SMBHVIDSHVDTII-LADJIXMOSA-N	-1	0	284.743	0.506	20	30		CCEDRM
C=CC(C)(C)CC(=O)NCC[C@H](C)NC(=O)CNC(=O)[O-]	ZINC001573346530	962939347	/nfs/dbraw/zinc/93/93/47/962939347.db2.gz	BMNOSJRNFDSMGO-JTQLQIEISA-N	-1	0	299.371	0.867	20	30		CCEDRM
C=C[C@](C)(O)CC(=O)N[C@]1(CC(=O)[O-])CCCOC1	ZINC001573347796	962950870	/nfs/dbraw/zinc/95/08/70/962950870.db2.gz	OFADYRRJUSMYRH-STQMWFEESA-N	-1	0	271.313	0.454	20	30		CCEDRM
C=CC(C)(C)C(=O)NCC1CN(C(=O)[C@@H]2C[C@@H]2C(=O)[O-])C1	ZINC001573348430	962958572	/nfs/dbraw/zinc/95/85/72/962958572.db2.gz	XAESCDDHXFFXGJ-MNOVXSKESA-N	-1	0	294.351	0.494	20	30		CCEDRM
C=CCC(F)(F)C(=O)N1C[C@@H](C)O[C@H](C(=O)[O-])C1	ZINC001573350477	962970269	/nfs/dbraw/zinc/97/02/69/962970269.db2.gz	INXWVTNYONPYIO-SFYZADRCSA-N	-1	0	263.240	0.898	20	30		CCEDRM
C=CCCCC(=O)NCCN(C)C(=O)[C@H]1C[C@H]1C(=O)[O-]	ZINC001573356470	963007605	/nfs/dbraw/zinc/00/76/05/963007605.db2.gz	BYZWHJKBNHWOOF-WDEREUQCSA-N	-1	0	282.340	0.638	20	30		CCEDRM
C=CCC[C@H](CO)NC(=O)[C@H]1C[C@@H](C)[C@H](C(=O)[O-])O1	ZINC001573357713	963019788	/nfs/dbraw/zinc/01/97/88/963019788.db2.gz	REYZSXFWJVYOBI-GWOFURMSSA-N	-1	0	271.313	0.308	20	30		CCEDRM
C=CCCC[C@H](NC(=O)c1cccc(C(N)=O)n1)C(=O)[O-]	ZINC001573366208	963058158	/nfs/dbraw/zinc/05/81/58/963058158.db2.gz	KJJGUKXWSYQODB-NSHDSACASA-N	-1	0	291.307	0.720	20	30		CCEDRM
C#C[C@H](NC(=O)N1CCO[C@@H](CC(=O)[O-])C1)C(C)C	ZINC000302324463	963073861	/nfs/dbraw/zinc/07/38/61/963073861.db2.gz	KCCPHMPUZNGOCN-QWRGUYRKSA-N	-1	0	268.313	0.529	20	30		CCEDRM
CC(C)(C#N)CS(=O)(=O)N[C@H]1CC[C@@H](C(=O)[O-])C1	ZINC001571001410	963215829	/nfs/dbraw/zinc/21/58/29/963215829.db2.gz	AWZFGUIITVFDCO-BDAKNGLRSA-N	-1	0	274.342	0.709	20	30		CCEDRM
C=CCOCCNC(=O)N1CC[C@@H](C(=O)[O-])[C@H]1C	ZINC000310674727	963423818	/nfs/dbraw/zinc/42/38/18/963423818.db2.gz	PBRJTFLWTZLQOY-NXEZZACHSA-N	-1	0	256.302	0.694	20	30		CCEDRM
CCN(CCC#N)S(=O)(=O)c1cc(C(=O)[O-])ccn1	ZINC000311890174	963519507	/nfs/dbraw/zinc/51/95/07/963519507.db2.gz	YAXGJMVXMOWFBE-UHFFFAOYSA-N	-1	0	283.309	0.704	20	30		CCEDRM
C#CCCCC(=O)NC1(CNC(=O)[C@H]2C[C@@H]2C(=O)[O-])CC1	ZINC001588435274	964020208	/nfs/dbraw/zinc/02/02/08/964020208.db2.gz	IZXRGCPCTYDIRP-QWRGUYRKSA-N	-1	0	292.335	0.276	20	30		CCEDRM
C#CCCCC(=O)N(C)CCNC(=O)[C@H]1C[C@H]1C(=O)[O-]	ZINC001588435446	964022942	/nfs/dbraw/zinc/02/29/42/964022942.db2.gz	QIRFVZDOISEWCY-WDEREUQCSA-N	-1	0	280.324	0.085	20	30		CCEDRM
C#CCCCCCC(=O)N[C@H]1CCO[C@H]1C(=O)[O-]	ZINC001588440860	964046703	/nfs/dbraw/zinc/04/67/03/964046703.db2.gz	UNAHULVYKSKBAR-CMPLNLGQSA-N	-1	0	253.298	0.928	20	30		CCEDRM
C#CCCN(Cn1cnc(C(=O)[O-])n1)CC(F)(F)F	ZINC001588447375	964085587	/nfs/dbraw/zinc/08/55/87/964085587.db2.gz	IAHIVRSHFOKVIG-UHFFFAOYSA-N	-1	0	276.218	0.821	20	30		CCEDRM
C#CCN(CC(=O)[O-])C(=O)c1cc([N+](=O)[O-])c[nH]1	ZINC000092477734	967593842	/nfs/dbraw/zinc/59/38/42/967593842.db2.gz	AJOAWODYKKABBY-UHFFFAOYSA-N	-1	0	251.198	0.083	20	30		CCEDRM
C=CCCCCN1CCS(=O)(=O)C[C@H]1C(=O)[O-]	ZINC001609626181	970425969	/nfs/dbraw/zinc/42/59/69/970425969.db2.gz	CUMUQZUVLRPZPW-JTQLQIEISA-N	-1	0	261.343	0.526	20	30		CCEDRM
C=CCNC(=O)CNC(=O)c1ccc(C(=O)[O-])o1	ZINC000393836135	972648312	/nfs/dbraw/zinc/64/83/12/972648312.db2.gz	KRVNQYQLSVAILK-UHFFFAOYSA-N	-1	0	252.226	0.010	20	30		CCEDRM
C[C@H](NC(=O)C(=O)Nc1cccc(CC#N)c1)C(=O)[O-]	ZINC001605041205	972653560	/nfs/dbraw/zinc/65/35/60/972653560.db2.gz	ZHFALXVMKGHMOD-QMMMGPOBSA-N	-1	0	275.264	0.280	20	30		CCEDRM
COC(=O)CC[C@H](NC(=O)c1coc(C#N)c1)C(=O)[O-]	ZINC001604322118	973002403	/nfs/dbraw/zinc/00/24/03/973002403.db2.gz	LYTXQCPXYBLAJH-VIFPVBQESA-N	-1	0	280.236	0.287	20	30		CCEDRM
CO[C@@H](C(=O)[O-])C(=O)N[C@H]1CCc2cc(C#N)ccc21	ZINC001604423895	973202960	/nfs/dbraw/zinc/20/29/60/973202960.db2.gz	JLUUNZNPDCELKS-NWDGAFQWSA-N	-1	0	274.276	0.761	20	30		CCEDRM
CO[C@](C)(C(=O)[O-])C(=O)[C@H](C#N)c1nccn1C	ZINC001604450821	973279315	/nfs/dbraw/zinc/27/93/15/973279315.db2.gz	NARYNJHELINCRC-CPCISQLKSA-N	-1	0	251.242	0.086	20	30		CCEDRM
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COc1cc(C#N)cc(O[C@H]2CCN(CC(=O)[O-])C2=O)c1	ZINC001604685066	973879180	/nfs/dbraw/zinc/87/91/80/973879180.db2.gz	MCJJHVUITBVTQP-LBPRGKRZSA-N	-1	0	290.275	0.631	20	30		CCEDRM
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CCN(C(=O)c1cn(CC(=O)[O-])nn1)c1ccc(C#N)cc1	ZINC001603714812	974128864	/nfs/dbraw/zinc/12/88/64/974128864.db2.gz	ZBJMQUFOYDXPGW-UHFFFAOYSA-N	-1	0	299.290	0.901	20	30		CCEDRM
CCN(CC(=O)N[C@](C)(C#N)C1CC1)[C@@H](C)C(=O)[O-]	ZINC001603724764	974163759	/nfs/dbraw/zinc/16/37/59/974163759.db2.gz	WZQOKPXGVVXYBM-TVQRCGJNSA-N	-1	0	267.329	0.590	20	30		CCEDRM
CC(C)[C@H](NC(=O)CN(CCC#N)CCC#N)C(=O)[O-]	ZINC001591866535	976170330	/nfs/dbraw/zinc/17/03/30/976170330.db2.gz	GSJMKZSHJFKSJT-LBPRGKRZSA-N	-1	0	280.328	0.341	20	30		CCEDRM
CC(C)[C@H](NC(=O)CN1CCC[C@@](C)(C#N)C1)C(=O)[O-]	ZINC001591866748	976176934	/nfs/dbraw/zinc/17/69/34/976176934.db2.gz	LARZJANJNNLJJT-JSGCOSHPSA-N	-1	0	281.356	0.837	20	30		CCEDRM
CC(C)[C@H](NC(=O)COC(=O)C1(C#N)CCC1)C(=O)[O-]	ZINC001591872083	976214988	/nfs/dbraw/zinc/21/49/88/976214988.db2.gz	MARQDWYWDWAZFR-JTQLQIEISA-N	-1	0	282.296	0.449	20	30		CCEDRM
C[C@@](CC(=O)[O-])(NCC(=O)NCCC#N)c1ccccn1	ZINC001592323806	977738800	/nfs/dbraw/zinc/73/88/00/977738800.db2.gz	YGOJVPIFJJNKFG-AWEZNQCLSA-N	-1	0	290.323	0.391	20	30		CCEDRM
C[C@](CO)(NC(=O)C(=O)/C=C\c1ccc(F)cc1)C(=O)[O-]	ZINC001592734529	979262312	/nfs/dbraw/zinc/26/23/12/979262312.db2.gz	XKCGLNGRRHUTJH-HJHHMULASA-N	-1	0	295.266	0.360	20	30		CCEDRM
CC[C@](COC)(NC(=O)c1coc(C#N)c1)C(=O)[O-]	ZINC001595194589	979902035	/nfs/dbraw/zinc/90/20/35/979902035.db2.gz	PKOZXJHUFHIAEY-GFCCVEGCSA-N	-1	0	266.253	0.761	20	30		CCEDRM
CC[C@@H](NS(=O)(=O)CC(C)(C)CC#N)C(=O)[O-]	ZINC001595307331	980465423	/nfs/dbraw/zinc/46/54/23/980465423.db2.gz	ZGBJOEMTWURUOX-MRVPVSSYSA-N	-1	0	262.331	0.709	20	30		CCEDRM
CC/C=C\[C@H](OC(=O)[C@H](C)n1cnc(C#N)n1)C(=O)[O-]	ZINC001595514702	981316778	/nfs/dbraw/zinc/31/67/78/981316778.db2.gz	MKXXHMXQVUKDIT-NSVKDGAOSA-N	-1	0	278.268	0.673	20	30		CCEDRM
CC[C@@H](C(=O)[O-])C(=O)N(CC#N)CCC(=O)OC	ZINC001594741639	981612720	/nfs/dbraw/zinc/61/27/20/981612720.db2.gz	RCAPXULNSLKWKN-MRVPVSSYSA-N	-1	0	256.258	0.012	20	30		CCEDRM
CC[C@@H](C(=O)[O-])C(=O)OCC(=O)N[C@@](C)(C#N)C1CC1	ZINC001594766125	981720250	/nfs/dbraw/zinc/72/02/50/981720250.db2.gz	TZPRDMILALHZDS-ZANVPECISA-N	-1	0	282.296	0.449	20	30		CCEDRM
CCC/C=C\[C@H](O)C(=O)N(CC#N)CCC(=O)[O-]	ZINC001595626314	981759182	/nfs/dbraw/zinc/75/91/82/981759182.db2.gz	QSNAEIQNLDLVQA-LWTINBJPSA-N	-1	0	254.286	0.530	20	30		CCEDRM
CC[C@@](C)(C#N)C(=O)Nc1ccn(CC(=O)[O-])n1	ZINC001594778499	981777492	/nfs/dbraw/zinc/77/74/92/981777492.db2.gz	SYEYFWBDNZVWNF-NSHDSACASA-N	-1	0	250.258	0.846	20	30		CCEDRM
CC[C@H](C)[C@@H](C(=O)[O-])N(CC#N)CCC(=O)OC	ZINC001594874809	982205279	/nfs/dbraw/zinc/20/52/79/982205279.db2.gz	FBQUSDXDDRKURQ-ONGXEEELSA-N	-1	0	256.302	0.874	20	30		CCEDRM
CC[C@H](C)[C@@H](NC(=O)CN1CC[C@](F)(C#N)C1)C(=O)[O-]	ZINC001594893917	982313170	/nfs/dbraw/zinc/31/31/70/982313170.db2.gz	XQDRFGQZLLNRCZ-NDMJEZRESA-N	-1	0	285.319	0.539	20	30		CCEDRM
CCCNC(=O)CN1CCC(C#N)(C(=O)[O-])CC1	ZINC001595921374	983031091	/nfs/dbraw/zinc/03/10/91/983031091.db2.gz	DYWLGJFCZUFXNJ-UHFFFAOYSA-N	-1	0	253.302	0.203	20	30		CCEDRM
C#C[C@H](CO)NCc1oc(Br)cc1C(=O)[O-]	ZINC001588370594	983320382	/nfs/dbraw/zinc/32/03/82/983320382.db2.gz	IGWIWEZUTZZQAD-ZCFIWIBFSA-N	-1	0	288.097	0.824	20	30		CCEDRM
C#C[C@H](CO)NC(=O)c1cc(C(=O)[O-])ccc1Cl	ZINC001588371063	983324563	/nfs/dbraw/zinc/32/45/63/983324563.db2.gz	VCRVZHCPHYHFNV-MRVPVSSYSA-N	-1	0	267.668	0.762	20	30		CCEDRM
C#C[C@@H](NC(=O)NCCSCC(=O)[O-])[C@H]1CCCO1	ZINC001588372087	983327744	/nfs/dbraw/zinc/32/77/44/983327744.db2.gz	CVSAGPUPBYYIBC-NXEZZACHSA-N	-1	0	286.353	0.284	20	30		CCEDRM
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C#CC1(F)CN(C(=O)[C@H]2CC[C@@H](CCC(=O)[O-])O2)C1	ZINC001588376861	983354514	/nfs/dbraw/zinc/35/45/14/983354514.db2.gz	YSKOHUCSVIVFEA-VHSXEESVSA-N	-1	0	269.272	0.583	20	30		CCEDRM
C#CC1(O)CN(C(=O)c2cc(C(=O)[O-])ccc2Cl)C1	ZINC001588379340	983363476	/nfs/dbraw/zinc/36/34/76/983363476.db2.gz	FDXNHATVFWEXET-UHFFFAOYSA-N	-1	0	279.679	0.858	20	30		CCEDRM
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C#CC[C@H](NC(=O)[C@@H](O)Cc1cccc(OC)c1)C(=O)[O-]	ZINC001588398920	983414116	/nfs/dbraw/zinc/41/41/16/983414116.db2.gz	OGSGUHVPEWHPID-STQMWFEESA-N	-1	0	291.303	0.191	20	30		CCEDRM
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C#CC[C@H](NC(=O)c1ccccc1OCC#N)C(=O)[O-]	ZINC001588417133	983438671	/nfs/dbraw/zinc/43/86/71/983438671.db2.gz	YRAOUULLCMRODV-NSHDSACASA-N	-1	0	272.260	0.795	20	30		CCEDRM
CCCn1cc(C(=O)N(CC#N)CC(=O)[O-])cn1	ZINC001596111394	983439382	/nfs/dbraw/zinc/43/93/82/983439382.db2.gz	UNEGRKQTZDNZFX-UHFFFAOYSA-N	-1	0	250.258	0.343	20	30		CCEDRM
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C#CC[C@H](NCc1nn(C)c(C)c1Cl)C(=O)[O-]	ZINC001588424343	983455260	/nfs/dbraw/zinc/45/52/60/983455260.db2.gz	VNNSZIXIKFEAAH-QMMMGPOBSA-N	-1	0	255.705	0.948	20	30		CCEDRM
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C#CCOCCON=C(N)COc1cccc(C(=O)[O-])c1	ZINC001588491264	983535540	/nfs/dbraw/zinc/53/55/40/983535540.db2.gz	IFPSTQPUHIDHJG-UHFFFAOYSA-N	-1	0	292.291	0.912	20	30		CCEDRM
C#CCOc1ccccc1CNC(=O)NC[C@H](F)C(=O)[O-]	ZINC001588504308	983546988	/nfs/dbraw/zinc/54/69/88/983546988.db2.gz	QFZDZWCZWCNGBO-NSHDSACASA-N	-1	0	294.282	0.921	20	30		CCEDRM
C#CCSCC(=O)N(CC(=O)[O-])C1CCOCC1	ZINC001588504991	983549566	/nfs/dbraw/zinc/54/95/66/983549566.db2.gz	QJODIRCYFRHEMQ-UHFFFAOYSA-N	-1	0	271.338	0.445	20	30		CCEDRM
C#CCn1ccc(CN(CCOC)[C@H](C=C)C(=O)[O-])n1	ZINC001588510496	983556047	/nfs/dbraw/zinc/55/60/47/983556047.db2.gz	HYFQXOZJNKEDHD-CYBMUJFWSA-N	-1	0	277.324	0.604	20	30		CCEDRM
C#Cc1ccc(C(=O)N[C@H](Cc2ccncc2)C(=O)[O-])nc1	ZINC001588510871	983557754	/nfs/dbraw/zinc/55/77/54/983557754.db2.gz	MWBFJCRFFTUAKQ-CQSZACIVSA-N	-1	0	295.298	0.884	20	30		CCEDRM
C#Cc1ccc(C(=O)N[C@H](C(=O)[O-])c2ccnn2C)cn1	ZINC001588511082	983558422	/nfs/dbraw/zinc/55/84/22/983558422.db2.gz	PVDSNSAHBOUVSW-LBPRGKRZSA-N	-1	0	284.275	0.352	20	30		CCEDRM
C=C(C)[C@H](CC(=O)NC[C@@]1(C(=O)[O-])CCOC1)OCC	ZINC001588529761	983582140	/nfs/dbraw/zinc/58/21/40/983582140.db2.gz	FNNAGCVBHDFICQ-FZMZJTMJSA-N	-1	0	285.340	0.965	20	30		CCEDRM
C=C(C)[C@H](CC(=O)N1CC(O)(C(=O)[O-])C1)OCC	ZINC001588529878	983582694	/nfs/dbraw/zinc/58/26/94/983582694.db2.gz	KBWHVYSHDBIKJS-VIFPVBQESA-N	-1	0	257.286	0.016	20	30		CCEDRM
C=C(C)[C@H]1OCC[C@H]1CN1C(=O)N[C@H](CCC(=O)[O-])C1=O	ZINC001588535434	983589113	/nfs/dbraw/zinc/58/91/13/983589113.db2.gz	OLTQKWIFHWKNPJ-HOSYDEDBSA-N	-1	0	296.323	0.753	20	30		CCEDRM
C=C(C)C[C@H](NC(=O)C[C@H]1CCCS1(=O)=O)C(=O)[O-]	ZINC001588540439	983603926	/nfs/dbraw/zinc/60/39/26/983603926.db2.gz	GIHQEMHHSGEPOJ-ZJUUUORDSA-N	-1	0	289.353	0.489	20	30		CCEDRM
C=C(C)C[C@H](NC(=O)CCn1cnccc1=O)C(=O)[O-]	ZINC001588542721	983609560	/nfs/dbraw/zinc/60/95/60/983609560.db2.gz	PAZYYKAIAFSZRZ-JTQLQIEISA-N	-1	0	279.296	0.169	20	30		CCEDRM
C=C(C)C[C@H](NC(=O)Cc1nnc(C)s1)C(=O)[O-]	ZINC001588543054	983610739	/nfs/dbraw/zinc/61/07/39/983610739.db2.gz	CIWAVSRKUQBDGY-QMMMGPOBSA-N	-1	0	269.326	0.925	20	30		CCEDRM
C=C(C)C[C@@H](NC(=O)Cn1ccc(C(=O)[O-])n1)C(=O)OC	ZINC001588544258	983613836	/nfs/dbraw/zinc/61/38/36/983613836.db2.gz	ZGCYQZKOSACYPN-SNVBAGLBSA-N	-1	0	295.295	0.205	20	30		CCEDRM
C=C(C)C[C@H](NC(=O)Cn1ccc(C(=O)[O-])n1)C(=O)OC	ZINC001588544257	983613882	/nfs/dbraw/zinc/61/38/82/983613882.db2.gz	ZGCYQZKOSACYPN-JTQLQIEISA-N	-1	0	295.295	0.205	20	30		CCEDRM
CCN(C[C@@H](C)C#N)CN1C[C@@H](C(=O)[O-])OC1=O	ZINC001596230961	983625234	/nfs/dbraw/zinc/62/52/34/983625234.db2.gz	DRCCDWGYSSEKDQ-IUCAKERBSA-N	-1	0	255.274	0.331	20	30		CCEDRM
C=C(C)C[C@H]1NC(=O)N(C/C=C(/C)C(=O)[O-])C1=O	ZINC001588554939	983632742	/nfs/dbraw/zinc/63/27/42/983632742.db2.gz	VFFSBTIAQORBMU-USYJTPIQSA-N	-1	0	252.270	0.904	20	30		CCEDRM
C=C(C)CN(C)C(=O)NCCC(=O)NCCC(=O)[O-]	ZINC001588561593	983642323	/nfs/dbraw/zinc/64/23/23/983642323.db2.gz	PDPQWCXJLUARTD-UHFFFAOYSA-N	-1	0	271.317	0.185	20	30		CCEDRM
C=C(C)CON1C(=O)N[C@H]([C@@H]2C[C@H]2C(=O)[O-])C1=O	ZINC001588573484	983652552	/nfs/dbraw/zinc/65/25/52/983652552.db2.gz	MTVQVIMPHSTIDV-BWZBUEFSSA-N	-1	0	254.242	0.135	20	30		CCEDRM
C=C(CC)C(=O)N1CC[C@@H](n2cc(C(=O)[O-])nn2)C1	ZINC001588605648	983693836	/nfs/dbraw/zinc/69/38/36/983693836.db2.gz	JZVPBUZWCASGIT-SECBINFHSA-N	-1	0	264.285	0.716	20	30		CCEDRM
C=C(CCC(=O)[O-])C(=O)N1C[C@H](CO)OC[C@@H]1C	ZINC001588612292	983702261	/nfs/dbraw/zinc/70/22/61/983702261.db2.gz	LQUDJFDIWXHFOO-VHSXEESVSA-N	-1	0	257.286	0.016	20	30		CCEDRM
C=C(CCC(=O)[O-])C(=O)N(CCC)CC(=O)N(C)C	ZINC001588612508	983702940	/nfs/dbraw/zinc/70/29/40/983702940.db2.gz	QWNZZVAFZQCKRW-UHFFFAOYSA-N	-1	0	270.329	0.734	20	30		CCEDRM
C=C(CCC(=O)[O-])C(=O)N1CCC2(CNC(=O)N2C)CC1	ZINC001588614183	983706593	/nfs/dbraw/zinc/70/65/93/983706593.db2.gz	NINDTEFYFCXQEH-UHFFFAOYSA-N	-1	0	295.339	0.424	20	30		CCEDRM
C=C(CCC(=O)[O-])C(=O)N1CCO[C@](C)(COC)C1	ZINC001588615523	983712736	/nfs/dbraw/zinc/71/27/36/983712736.db2.gz	XNIMWHCZLHRLPK-ZDUSSCGKSA-N	-1	0	271.313	0.671	20	30		CCEDRM
C=C(CCC(=O)[O-])C(=O)N[C@@H]1CCNC(=O)CC1	ZINC001588623417	983728113	/nfs/dbraw/zinc/72/81/13/983728113.db2.gz	PLJSXAKQUIJLKR-VIFPVBQESA-N	-1	0	254.286	0.192	20	30		CCEDRM
C=C(CCC(=O)[O-])C(=O)NCc1ccc(C(N)=O)cc1	ZINC001588629526	983737713	/nfs/dbraw/zinc/73/77/13/983737713.db2.gz	DLHNQFGKNHMUEJ-UHFFFAOYSA-N	-1	0	276.292	0.823	20	30		CCEDRM
C=C(CCC(=O)[O-])C(=O)NCc1ccnn1CC	ZINC001588629673	983738489	/nfs/dbraw/zinc/73/84/89/983738489.db2.gz	IAACZUSZUXEWBE-UHFFFAOYSA-N	-1	0	251.286	0.940	20	30		CCEDRM
CCN(CCC(=O)[O-])S(=O)(=O)N(C)C[C@H](C)C#N	ZINC001596316092	983748936	/nfs/dbraw/zinc/74/89/36/983748936.db2.gz	RMQYUPXWXRYWKD-SECBINFHSA-N	-1	0	277.346	0.119	20	30		CCEDRM
C=C(CCC(=O)OC)C(=O)N1CCCC[C@@H]1C(=O)[O-]	ZINC001588633520	983750058	/nfs/dbraw/zinc/75/00/58/983750058.db2.gz	NFSNYRGEEMLKEN-SNVBAGLBSA-N	-1	0	269.297	0.962	20	30		CCEDRM
C=C(COC(=O)[C@@H]1CC[C@H](C(=O)[O-])O1)C(=O)OCC	ZINC001588637939	983761634	/nfs/dbraw/zinc/76/16/34/983761634.db2.gz	ZHYCORIDYSUAAJ-BDAKNGLRSA-N	-1	0	272.253	0.281	20	30		CCEDRM
C=C(Cl)CN1CC(NC(=O)[C@H]2C[C@H]2C(=O)[O-])C1	ZINC001588642661	983764979	/nfs/dbraw/zinc/76/49/79/983764979.db2.gz	ZYOOUURJWHAOPO-DTWKUNHWSA-N	-1	0	258.705	0.260	20	30		CCEDRM
C=CC(=O)N(CC)CC(=O)N[C@H](CC(=C)C)C(=O)[O-]	ZINC001588654109	983776357	/nfs/dbraw/zinc/77/63/57/983776357.db2.gz	BPFVYDJZUQWCAL-SNVBAGLBSA-N	-1	0	268.313	0.557	20	30		CCEDRM
C=C[C@H](C(=O)[O-])[N@H+]1C[C@H](C)O[C@@]2(CCO[C@H]2C)C1	ZINC001588663957	983797859	/nfs/dbraw/zinc/79/78/59/983797859.db2.gz	MIHVHFUBTNGGOI-KQXIARHKSA-N	-1	0	255.314	0.894	20	30		CCEDRM
C=C[C@H](C(=O)[O-])N(C)CC(=O)Nc1cc(C)ccn1	ZINC001588664843	983805642	/nfs/dbraw/zinc/80/56/42/983805642.db2.gz	XNWGLNJMLVTYSH-SNVBAGLBSA-N	-1	0	263.297	0.900	20	30		CCEDRM
C=C[C@@H](C(=O)[O-])N1C[C@@H](O)[C@H](Oc2ccccc2)C1	ZINC001588669121	983809675	/nfs/dbraw/zinc/80/96/75/983809675.db2.gz	GIKQHPDJUPSCOJ-YNEHKIRRSA-N	-1	0	263.293	0.750	20	30		CCEDRM
C=C[C@](C)(O)CC(=O)N1CCSC[C@H]1CC(=O)[O-]	ZINC001588684658	983862487	/nfs/dbraw/zinc/86/24/87/983862487.db2.gz	WFFMXBAYJRUGLC-SKDRFNHKSA-N	-1	0	273.354	0.732	20	30		CCEDRM
C=C[C@@H](COC)NC(=O)NCc1ccc(C(=O)[O-])o1	ZINC001588692624	983884753	/nfs/dbraw/zinc/88/47/53/983884753.db2.gz	FXWIODZPRZEOLQ-QMMMGPOBSA-N	-1	0	268.269	0.978	20	30		CCEDRM
C=C[C@@H](COC)NC(=O)N1C[C@@H](C)[C@](C)(C(=O)[O-])C1	ZINC001588693161	983891170	/nfs/dbraw/zinc/89/11/70/983891170.db2.gz	SIZIWDRQXGBPAT-GBIKHYSHSA-N	-1	0	270.329	0.940	20	30		CCEDRM
C=C[C@@H](OC(=O)[C@@H](C(C)C)N1CCCC1=O)C(=O)[O-]	ZINC001588703913	983922547	/nfs/dbraw/zinc/92/25/47/983922547.db2.gz	AYIXEBLGKBYJOS-MWLCHTKSSA-N	-1	0	269.297	0.816	20	30		CCEDRM
C=C[C@@H](OC(=O)[C@H](NS(C)(=O)=O)C(C)(C)C)C(=O)[O-]	ZINC001588703994	983923148	/nfs/dbraw/zinc/92/31/48/983923148.db2.gz	BSHPGYQUCUUDNV-SFYZADRCSA-N	-1	0	293.341	0.133	20	30		CCEDRM
C=C[C@H](O)c1nnc(N2CC[C@](C)(C(=O)[O-])C2)n1C	ZINC001588704483	983924049	/nfs/dbraw/zinc/92/40/49/983924049.db2.gz	FCGCVFSYXKKTRO-UFBFGSQYSA-N	-1	0	266.301	0.336	20	30		CCEDRM
C=C[C@H](OC(=O)[C@H](OC)C(=O)OC(C)(C)C)C(=O)[O-]	ZINC001588705904	983928745	/nfs/dbraw/zinc/92/87/45/983928745.db2.gz	RVONBLSQBNXVBX-YUMQZZPRSA-N	-1	0	274.269	0.526	20	30		CCEDRM
C=C[C@H](OC(=O)[C@@H](C)Sc1nncn1C)C(=O)[O-]	ZINC001588706202	983930492	/nfs/dbraw/zinc/93/04/92/983930492.db2.gz	WLKWORPOTBEAAW-RQJHMYQMSA-N	-1	0	271.298	0.478	20	30		CCEDRM
C=C[C@@H](OC(=O)[C@@H](NC(=O)OC)C(C)C)C(=O)[O-]	ZINC001588711717	983939305	/nfs/dbraw/zinc/93/93/05/983939305.db2.gz	QSIWMDRTIUSRSG-SFYZADRCSA-N	-1	0	259.258	0.549	20	30		CCEDRM
C=C[C@@H](OC(=O)c1nc(OC)cc(OC)n1)C(=O)[O-]	ZINC001588712689	983945903	/nfs/dbraw/zinc/94/59/03/983945903.db2.gz	MZPXTRPYWQOPDL-ZCFIWIBFSA-N	-1	0	268.225	0.290	20	30		CCEDRM
C=C[C@@H](OC(=O)c1cc(C(=O)OC)nn1C)C(=O)[O-]	ZINC001588713185	983948215	/nfs/dbraw/zinc/94/82/15/983948215.db2.gz	RWJSXWKOGLQTKJ-MRVPVSSYSA-N	-1	0	268.225	0.003	20	30		CCEDRM
C=CC[C@H](C(=O)[O-])N1C[C@@H](CC)S(=O)(=O)[C@@H](C)C1	ZINC001588730252	983997065	/nfs/dbraw/zinc/99/70/65/983997065.db2.gz	YCYUHSIHPCDUGY-HBNTYKKESA-N	-1	0	275.370	0.913	20	30		CCEDRM
C=CCC(C)(C)CNC(=O)NCCC(=O)NCCC(=O)[O-]	ZINC001588736486	984025445	/nfs/dbraw/zinc/02/54/45/984025445.db2.gz	LIXHDEBUAWWQND-UHFFFAOYSA-N	-1	0	299.371	0.869	20	30		CCEDRM
C=CC[C@H](C)NC(=O)COCc1ocnc1C(=O)[O-]	ZINC001588736704	984026916	/nfs/dbraw/zinc/02/69/16/984026916.db2.gz	RRALEILICSPEAV-QMMMGPOBSA-N	-1	0	268.269	0.970	20	30		CCEDRM
C=CCC(F)(F)C(=O)N1CCC[C@H](O)[C@H]1C(=O)[O-]	ZINC001588743049	984036101	/nfs/dbraw/zinc/03/61/01/984036101.db2.gz	QITPYZUGLCGPNL-YUMQZZPRSA-N	-1	0	263.240	0.634	20	30		CCEDRM
C=CC[C@H](CO)NC(=O)C(=O)Nc1cc(C)[nH]c1C(=O)[O-]	ZINC001588744906	984046940	/nfs/dbraw/zinc/04/69/40/984046940.db2.gz	SIASSDQIIZHTMG-MRVPVSSYSA-N	-1	0	295.295	0.013	20	30		CCEDRM
C=CC[C@@H](OC(=O)CNC(=O)Cc1ccccc1)C(=O)[O-]	ZINC001588753563	984086979	/nfs/dbraw/zinc/08/69/79/984086979.db2.gz	JQJOIXYLOMREMT-GFCCVEGCSA-N	-1	0	291.303	0.918	20	30		CCEDRM
C=CC[C@@H](OC(=O)COCc1nnc(C)s1)C(=O)[O-]	ZINC001588753613	984087418	/nfs/dbraw/zinc/08/74/18/984087418.db2.gz	KUXNWTMPNRCLBU-MRVPVSSYSA-N	-1	0	286.309	0.936	20	30		CCEDRM
C=CC[C@H](OC(=O)[C@@H]1CCCS1(=O)=O)C(=O)[O-]	ZINC001588753894	984090122	/nfs/dbraw/zinc/09/01/22/984090122.db2.gz	POTFLEFXKNSRSZ-YUMQZZPRSA-N	-1	0	262.283	0.136	20	30		CCEDRM
C=CC[C@H](OC(=O)c1ccc2nnnn2c1)C(=O)[O-]	ZINC001588756995	984100725	/nfs/dbraw/zinc/10/07/25/984100725.db2.gz	RMJPHIDRBBUQAC-QMMMGPOBSA-N	-1	0	262.225	0.310	20	30		CCEDRM
C=CCC1(C(=O)NC[C@]2(C(=O)[O-])CCOC2)CCOCC1	ZINC001588763628	984120134	/nfs/dbraw/zinc/12/01/34/984120134.db2.gz	UYFYIHZBFMREDE-OAHLLOKOSA-N	-1	0	297.351	0.967	20	30		CCEDRM
C=CCCC(=O)NC[C@@H](CO)Nc1ncc(C(=O)[O-])cn1	ZINC001588773735	984149177	/nfs/dbraw/zinc/14/91/77/984149177.db2.gz	HRBDUDXOONGQNE-JTQLQIEISA-N	-1	0	294.311	0.030	20	30		CCEDRM
C=CCCC(=O)NCCCN(C)C(=O)[C@H]1C[C@H]1C(=O)[O-]	ZINC001588777351	984156517	/nfs/dbraw/zinc/15/65/17/984156517.db2.gz	ZXRKKMPITCYRQN-WDEREUQCSA-N	-1	0	282.340	0.638	20	30		CCEDRM
C=CCC[C@H](CO)NC(=O)NC[C@H]1CCO[C@H]1C(=O)[O-]	ZINC001588777979	984158274	/nfs/dbraw/zinc/15/82/74/984158274.db2.gz	OKCAYDPVSZNWNP-GMTAPVOTSA-N	-1	0	286.328	0.102	20	30		CCEDRM
C=CCC[C@H](CO)NS(=O)(=O)CC1(C(=O)[O-])CCC1	ZINC001588778222	984159981	/nfs/dbraw/zinc/15/99/81/984159981.db2.gz	YDWGSHKCXDQNGZ-SNVBAGLBSA-N	-1	0	291.369	0.488	20	30		CCEDRM
CCNC(=O)CC(=O)OCc1cccc(C(=O)[O-])c1C#N	ZINC001596456093	984160332	/nfs/dbraw/zinc/16/03/32/984160332.db2.gz	FFZVHQJAPDBUOK-UHFFFAOYSA-N	-1	0	290.275	0.826	20	30		CCEDRM
C=CCCC[C@@H](NC(=O)c1cc(=O)[nH]cn1)C(=O)[O-]	ZINC001588792723	984211988	/nfs/dbraw/zinc/21/19/88/984211988.db2.gz	MRSWCZRNZUXQCD-MRVPVSSYSA-N	-1	0	265.269	0.722	20	30		CCEDRM
C=CCCC[C@@H](NC(=O)[C@H]1CSCN1)C(=O)[O-]	ZINC001588794329	984226352	/nfs/dbraw/zinc/22/63/52/984226352.db2.gz	RBYUSQMAIDRQKU-RKDXNWHRSA-N	-1	0	258.343	0.575	20	30		CCEDRM
C=CCCC[C@H](NC(=O)[C@@H]1CSCN1)C(=O)[O-]	ZINC001588794328	984226383	/nfs/dbraw/zinc/22/63/83/984226383.db2.gz	RBYUSQMAIDRQKU-IUCAKERBSA-N	-1	0	258.343	0.575	20	30		CCEDRM
C=CCCC[C@@H](NC(=O)[C@H](C)NC(=O)OC)C(=O)[O-]	ZINC001588794569	984227939	/nfs/dbraw/zinc/22/79/39/984227939.db2.gz	YSROZWVYCYVKSO-DTWKUNHWSA-N	-1	0	272.301	0.657	20	30		CCEDRM
C=CCCCNC(=O)C(=O)N1CC[C@H](C(=O)[O-])[C@H]1C	ZINC001588801531	984246495	/nfs/dbraw/zinc/24/64/95/984246495.db2.gz	NFCSXFJYUINDSR-ZJUUUORDSA-N	-1	0	268.313	0.390	20	30		CCEDRM
C=CCNC(=O)[C@@H](C)OC(=O)c1ccc(C(=O)[O-])cn1	ZINC001588838170	984336455	/nfs/dbraw/zinc/33/64/55/984336455.db2.gz	AOOLXZCIHVQLFH-MRVPVSSYSA-N	-1	0	278.264	0.627	20	30		CCEDRM
C=CCN1CC[C@@H](OC(=O)[C@@H](CC)C(=O)[O-])C1=O	ZINC001588838861	984342216	/nfs/dbraw/zinc/34/22/16/984342216.db2.gz	KOLWASOYFNJNQF-DTWKUNHWSA-N	-1	0	255.270	0.427	20	30		CCEDRM
C=CCN1CC[C@H](N[C@@](C)(Cn2cccn2)C(=O)[O-])C1=O	ZINC001588839456	984347316	/nfs/dbraw/zinc/34/73/16/984347316.db2.gz	RTAVZAMQNWQMSX-FZMZJTMJSA-N	-1	0	292.339	0.103	20	30		CCEDRM
C=CCNC(=O)CNC(=O)C1(C(=O)[O-])CC2(CCC2)C1	ZINC001588844767	984359991	/nfs/dbraw/zinc/35/99/91/984359991.db2.gz	SSHAGFGZISJMMU-UHFFFAOYSA-N	-1	0	280.324	0.440	20	30		CCEDRM
C=CCOC[C@H](NC(=O)CN1CC(C)(C)C1)C(=O)[O-]	ZINC001588853560	984384077	/nfs/dbraw/zinc/38/40/77/984384077.db2.gz	ALBWKFZHEWICFV-JTQLQIEISA-N	-1	0	270.329	0.100	20	30		CCEDRM
C=CCOC[C@H](NC(=O)[C@@H](O)/C=C\CCC)C(=O)[O-]	ZINC001588855238	984391760	/nfs/dbraw/zinc/39/17/60/984391760.db2.gz	DUELHCTYMIUOBA-TWHAFNCTSA-N	-1	0	271.313	0.476	20	30		CCEDRM
C=CCOC[C@@H](NC(=O)[C@H]1CCCCN1C(C)=O)C(=O)[O-]	ZINC001588856120	984397362	/nfs/dbraw/zinc/39/73/62/984397362.db2.gz	VGOOFIAXFKHKEN-VXGBXAGGSA-N	-1	0	298.339	0.159	20	30		CCEDRM
C=CCOC[C@H](NC(=O)O[C@H](C)COC)C(=O)[O-]	ZINC001588856518	984400881	/nfs/dbraw/zinc/40/08/81/984400881.db2.gz	LJIZJJHPAVLPBZ-BDAKNGLRSA-N	-1	0	261.274	0.403	20	30		CCEDRM
C=CCOC[C@@H](NC(=O)c1c[nH]nc1C1CC1)C(=O)[O-]	ZINC001588859354	984404858	/nfs/dbraw/zinc/40/48/58/984404858.db2.gz	IUXBVDHFAXJLIR-SNVBAGLBSA-N	-1	0	279.296	0.673	20	30		CCEDRM
C=CCOC[C@H](NC(=O)c1cc(F)c[nH]c1=O)C(=O)[O-]	ZINC001588859588	984406972	/nfs/dbraw/zinc/40/69/72/984406972.db2.gz	QQNPYVGKKBGPHQ-VIFPVBQESA-N	-1	0	284.243	0.312	20	30		CCEDRM
C=CCOC[C@H](NC(=O)c1ccc([N+](=O)[O-])[nH]1)C(=O)[O-]	ZINC001588861172	984414616	/nfs/dbraw/zinc/41/46/16/984414616.db2.gz	BLEWYQRDSZRKIK-QMMMGPOBSA-N	-1	0	283.240	0.309	20	30		CCEDRM
C=CCOCCNC(=O)C(=O)N1CCC[C@](C)(C(=O)[O-])C1	ZINC001588868912	984436275	/nfs/dbraw/zinc/43/62/75/984436275.db2.gz	FUTINOYAGYPJAU-AWEZNQCLSA-N	-1	0	298.339	0.019	20	30		CCEDRM
C=CCOCCNC(=O)C(=O)N1CCC[C@@](C)(C(=O)[O-])C1	ZINC001588868913	984436563	/nfs/dbraw/zinc/43/65/63/984436563.db2.gz	FUTINOYAGYPJAU-CQSZACIVSA-N	-1	0	298.339	0.019	20	30		CCEDRM
C=CCn1c(C[S@@](C)=O)nnc1N1CC[C@@H](C(=O)[O-])C1	ZINC001588900678	984521599	/nfs/dbraw/zinc/52/15/99/984521599.db2.gz	KZLAZAFTNMTLIU-GSDQLPOLSA-N	-1	0	298.368	0.254	20	30		CCEDRM
C=CCn1c(N2CC[C@@](C)(C(=O)[O-])C2)nnc1C1(O)CC1	ZINC001588904583	984530518	/nfs/dbraw/zinc/53/05/18/984530518.db2.gz	WSTNEXVQJZTQOB-CYBMUJFWSA-N	-1	0	292.339	0.747	20	30		CCEDRM
C=CCn1cc(C(=O)OCCCCC(=O)[O-])nn1	ZINC001588909042	984541594	/nfs/dbraw/zinc/54/15/94/984541594.db2.gz	GREXMZKMMMVLNY-UHFFFAOYSA-N	-1	0	253.258	0.876	20	30		CCEDRM
C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H](CC1CCOCC1)C(=O)[O-]	ZINC001588916247	984558976	/nfs/dbraw/zinc/55/89/76/984558976.db2.gz	BNTCIKFQAIHOLD-AGIUHOORSA-N	-1	0	297.351	0.964	20	30		CCEDRM
C=C[C@H](CO)NS(=O)(=O)c1cc(C(=O)[O-])c(Cl)o1	ZINC001588919798	984574021	/nfs/dbraw/zinc/57/40/21/984574021.db2.gz	PFQYJEUWOPGFNI-RXMQYKEDSA-N	-1	0	295.700	0.456	20	30		CCEDRM
C=C[C@H](CO)NC(=O)[C@H]1CC[C@@H](CCC(=O)[O-])O1	ZINC001588919815	984574546	/nfs/dbraw/zinc/57/45/46/984574546.db2.gz	PQQYHXFGDNIOAG-KXUCPTDWSA-N	-1	0	257.286	0.062	20	30		CCEDRM
C=C[C@@H]1OCC[C@H]1NC(=O)NC1CC(CC(=O)[O-])C1	ZINC001588920332	984577577	/nfs/dbraw/zinc/57/75/77/984577577.db2.gz	XEYBBOFYOFGKAI-LXKPXOPUSA-N	-1	0	268.313	0.882	20	30		CCEDRM
CC#CCCCC(=O)NC1CN(C(=O)[C@@H]2C[C@H]2C(=O)[O-])C1	ZINC001588924764	984583316	/nfs/dbraw/zinc/58/33/16/984583316.db2.gz	DPFGRQOWCSIPBX-VXGBXAGGSA-N	-1	0	292.335	0.228	20	30		CCEDRM
CC#CCCCC(=O)N1CC[C@](OC)(C(=O)[O-])C1	ZINC001588925676	984588270	/nfs/dbraw/zinc/58/82/70/984588270.db2.gz	UYDROYNTTOZHHD-CYBMUJFWSA-N	-1	0	253.298	0.882	20	30		CCEDRM
CC#CC[C@@H]([NH2+]Cc1cc(C(=O)[O-])n(C)c1)C(=O)[O-]	ZINC001588925661	984588335	/nfs/dbraw/zinc/58/83/35/984588335.db2.gz	URFIITOKUJZCNB-SNVBAGLBSA-N	-1	0	264.281	0.680	20	30		CCEDRM
CC(=NN1CCN(C)CC1)c1cc(C(=O)[O-])co1	ZINC001589010949	984984913	/nfs/dbraw/zinc/98/49/13/984984913.db2.gz	LQGHGZPOVWGIPS-UHFFFAOYSA-N	-1	0	251.286	0.949	20	30		CCEDRM
C[C@H]1CN(C(=O)CC2(C#N)CC2)C[C@@H](C(=O)[O-])O1	ZINC001599915780	985054038	/nfs/dbraw/zinc/05/40/38/985054038.db2.gz	SZGPAQDVOIEJFC-IUCAKERBSA-N	-1	0	252.270	0.381	20	30		CCEDRM
C[C@H]1CN(c2cc(C#N)nc(C3CC3)n2)C[C@@H](C(=O)[O-])O1	ZINC001599932370	985337875	/nfs/dbraw/zinc/33/78/75/985337875.db2.gz	OOZQMOGLKBHAIE-KWQFWETISA-N	-1	0	288.307	0.904	20	30		CCEDRM
C[C@@H](C#N)CNC(=O)C(=O)Nc1cccc(F)c1C(=O)[O-]	ZINC001589330919	986180268	/nfs/dbraw/zinc/18/02/68/986180268.db2.gz	VFWJVYYGNPHZTO-ZETCQYMHSA-N	-1	0	293.254	0.738	20	30		CCEDRM
C[C@@H](C#N)OCCn1cc(CC(C)(C)C(=O)[O-])nn1	ZINC001589331313	986184021	/nfs/dbraw/zinc/18/40/21/986184021.db2.gz	AOJDMWLWURGNTK-VIFPVBQESA-N	-1	0	266.301	0.860	20	30		CCEDRM
C[C@H](C#N)N(C(=O)CN1CCC[C@H](C(=O)[O-])C1=O)C1CC1	ZINC001589331590	986188591	/nfs/dbraw/zinc/18/85/91/986188591.db2.gz	IWPJUMFLPXLIIK-KOLCDFICSA-N	-1	0	293.323	0.213	20	30		CCEDRM
Cc1c(C(=O)[O-])cc(C=NN2C(=O)[C@@H](C)N(C)C2=O)n1C	ZINC001599984148	986206971	/nfs/dbraw/zinc/20/69/71/986206971.db2.gz	COOCTRWMSBGQRO-MRVPVSSYSA-N	-1	0	292.295	0.648	20	30		CCEDRM
C[C@@H]1COCC[C@@H]1C(=O)N1CCC(C#N)(C(=O)[O-])CC1	ZINC001594595953	986514420	/nfs/dbraw/zinc/51/44/20/986514420.db2.gz	LYRJADAPTVDUPG-MNOVXSKESA-N	-1	0	280.324	0.876	20	30		CCEDRM
CC[C@H](C#N)N(C)C(=O)Cn1cc(C(=O)[O-])cn1	ZINC001594722614	987214760	/nfs/dbraw/zinc/21/47/60/987214760.db2.gz	RBEKQRDYJAZRIL-SECBINFHSA-N	-1	0	250.258	0.342	20	30		CCEDRM
CCc1cc(=O)[nH]c(CN2CCC(C#N)(C(=O)[O-])CC2)n1	ZINC001597487629	987993592	/nfs/dbraw/zinc/99/35/92/987993592.db2.gz	OYQAVZIGERSVGT-UHFFFAOYSA-N	-1	0	290.323	0.935	20	30		CCEDRM
C[C@@H]1CN(C(=O)Nc2nn(C)cc2C#N)C[C@H]1CC(=O)[O-]	ZINC001599861721	989178983	/nfs/dbraw/zinc/17/89/83/989178983.db2.gz	SVTADMOYEBUEEB-RKDXNWHRSA-N	-1	0	291.311	0.866	20	30		CCEDRM
CN(C(=O)Cn1cc(C(=O)[O-])nn1)[C@H]1CCC[C@H]1C#N	ZINC001598041808	990277479	/nfs/dbraw/zinc/27/74/79/990277479.db2.gz	ZNAJVIMKUQWOKG-WPRPVWTQSA-N	-1	0	277.284	0.127	20	30		CCEDRM
CC(C)(CNC(=O)CNc1ccc(C#N)cn1)CC(=O)[O-]	ZINC001590712982	990463585	/nfs/dbraw/zinc/46/35/85/990463585.db2.gz	GVPFRSOXLOMYBP-UHFFFAOYSA-N	-1	0	290.323	0.982	20	30		CCEDRM
CN(C)C[C@](C)(C#N)NC(=O)CC[C@@H]1C[C@H](C(=O)[O-])CO1	ZINC001598200124	990811854	/nfs/dbraw/zinc/81/18/54/990811854.db2.gz	ZYCJFGKXSAJPNU-WDMOLILDSA-N	-1	0	297.355	0.216	20	30		CCEDRM
CC(C)[C@H](C#N)N1CCN(c2nccc(C(=O)[O-])n2)CC1	ZINC001590952873	991017065	/nfs/dbraw/zinc/01/70/65/991017065.db2.gz	LQERJASRGPDHQB-LBPRGKRZSA-N	-1	0	289.339	0.845	20	30		CCEDRM
CC(C)[C@](C)(C#N)NC(=O)CN1CCC[C@H](C(=O)[O-])C1=O	ZINC001590961702	991061790	/nfs/dbraw/zinc/06/17/90/991061790.db2.gz	WSSLXALEBCXGEO-HZMBPMFUSA-N	-1	0	295.339	0.364	20	30		CCEDRM
CN(C)c1cc(C#N)cc(C(=O)N[C@H](CF)C(=O)[O-])c1	ZINC001598287332	991186946	/nfs/dbraw/zinc/18/69/46/991186946.db2.gz	GCBSVMOWLDDUOL-LLVKDONJSA-N	-1	0	279.271	0.777	20	30		CCEDRM
CN(C)c1ccc(C#N)cc1CN1CCO[C@@H](C(=O)[O-])C1	ZINC001598307689	991275715	/nfs/dbraw/zinc/27/57/15/991275715.db2.gz	GATCIHCWJRQSFU-CQSZACIVSA-N	-1	0	289.335	0.910	20	30		CCEDRM
CC(C)C[C@H](NC(=O)Cn1cc(C#N)cn1)C(=O)[O-]	ZINC001591178850	991978202	/nfs/dbraw/zinc/97/82/02/991978202.db2.gz	VTAYBSKZLAHFHN-JTQLQIEISA-N	-1	0	264.285	0.370	20	30		CCEDRM
CS(=O)(=O)[C@H]1C[C@]1(CNc1ncccc1C#N)C(=O)[O-]	ZINC001599763936	992159013	/nfs/dbraw/zinc/15/90/13/992159013.db2.gz	XSRHNFZOOVRTNF-JOYOIKCWSA-N	-1	0	295.320	0.253	20	30		CCEDRM
CN(CCNc1ccc(C#N)cn1)C(=O)[C@@H]1C[C@@H]1C(=O)[O-]	ZINC001598495298	992350611	/nfs/dbraw/zinc/35/06/11/992350611.db2.gz	DPJVCPQZNISHPR-MNOVXSKESA-N	-1	0	288.307	0.544	20	30		CCEDRM
CN(CCc1cn(CC(=O)[O-])nn1)[C@@H]1CCC[C@H]1C#N	ZINC001598502919	992459522	/nfs/dbraw/zinc/45/95/22/992459522.db2.gz	SJKDTMHDKJKEAL-CMPLNLGQSA-N	-1	0	277.328	0.529	20	30		CCEDRM
CC(C)N(CCC#N)C(=O)CN1CCC[C@H](C(=O)[O-])C1=O	ZINC001591574603	992784093	/nfs/dbraw/zinc/78/40/93/992784093.db2.gz	MPKIQQXUSKTXAR-NSHDSACASA-N	-1	0	295.339	0.460	20	30		CCEDRM
COc1cccc(C(=O)N(CC#N)CC(=O)[O-])c1[N+](=O)[O-]	ZINC001599640356	994350322	/nfs/dbraw/zinc/35/03/22/994350322.db2.gz	GGFLKHMFIJFQRX-UHFFFAOYSA-N	-1	0	293.235	0.654	20	30		CCEDRM
CNc1ncccc1C(=O)N1CCC(C#N)(C(=O)[O-])CC1	ZINC001598682195	994947177	/nfs/dbraw/zinc/94/71/77/994947177.db2.gz	YYNZWIAQWCLZAT-UHFFFAOYSA-N	-1	0	288.307	0.954	20	30		CCEDRM
COC(=O)[C@@H](CC(=O)[O-])NC(=O)C#Cc1cccs1	ZINC001598691076	995066791	/nfs/dbraw/zinc/06/67/91/995066791.db2.gz	FBIYMSBTXCAPFC-SECBINFHSA-N	-1	0	281.289	0.232	20	30		CCEDRM
C[C@@](O)(CN1CCO[C@@H](c2ccc(C#N)cc2)C1)C(=O)[O-]	ZINC001593396213	995138208	/nfs/dbraw/zinc/13/82/08/995138208.db2.gz	IYENNQTYCKCRPJ-UKRRQHHQSA-N	-1	0	290.319	0.767	20	30		CCEDRM
C[C@](O)(CNC(=O)c1sccc1CC#N)C(=O)[O-]	ZINC001593411599	995190566	/nfs/dbraw/zinc/19/05/66/995190566.db2.gz	PLKRAWKHKKQQCX-NSHDSACASA-N	-1	0	268.294	0.380	20	30		CCEDRM
CC(C)[C@@](C)(C#N)NC(=O)[C@H](C)OC(=O)C1(C(=O)[O-])CC1	ZINC001593490177	995453482	/nfs/dbraw/zinc/45/34/82/995453482.db2.gz	ATWMZWBSGIEQTD-TVQRCGJNSA-N	-1	0	296.323	0.837	20	30		CCEDRM
COC(=O)[C@@H]1CC[C@@H](C(=O)[O-])CN1C(=O)CCCC#N	ZINC001598763925	995807949	/nfs/dbraw/zinc/80/79/49/995807949.db2.gz	WTXGQHNRZSRANC-ZJUUUORDSA-N	-1	0	282.296	0.545	20	30		CCEDRM
COC(=O)[C@@H]1CC[C@@H](C(=O)[O-])CN1CCO[C@H](C)C#N	ZINC001598779010	995962311	/nfs/dbraw/zinc/96/23/11/995962311.db2.gz	PULQNBLEIJNKNU-MXWKQRLJSA-N	-1	0	284.312	0.253	20	30		CCEDRM
C[C@]1(C#N)CN(C(=O)C23CC(C(=O)[O-])(C2)C3)CCO1	ZINC001593743323	996367435	/nfs/dbraw/zinc/36/74/35/996367435.db2.gz	NGBPLRDCGQCOPP-HIFPTAJRSA-N	-1	0	264.281	0.382	20	30		CCEDRM
CC1(C(=O)[O-])CN(C(=O)CNc2ccc(C#N)cc2)C1	ZINC001593802682	996529698	/nfs/dbraw/zinc/52/96/98/996529698.db2.gz	DNBWBZQIZVWQDM-UHFFFAOYSA-N	-1	0	273.292	0.903	20	30		CCEDRM
COC(=O)CN(CC#N)C(=O)C[C@H](C)CC(=O)[O-]	ZINC001598861337	996677212	/nfs/dbraw/zinc/67/72/12/996677212.db2.gz	UYYFZULXLCLGSP-QMMMGPOBSA-N	-1	0	256.258	0.012	20	30		CCEDRM
COC[C@@H](OC)C(=O)O[C@@H](C(=O)[O-])c1ccc(C#N)cc1	ZINC001599186967	997043724	/nfs/dbraw/zinc/04/37/24/997043724.db2.gz	MUUGUOLBNPQOTI-VXGBXAGGSA-N	-1	0	293.275	0.889	20	30		CCEDRM
COC(=O)[C@H]1C[C@@H](C(=O)N(CC#N)CCC(=O)[O-])C1	ZINC001598904296	997235171	/nfs/dbraw/zinc/23/51/71/997235171.db2.gz	AVTHGBSFCVWPNW-DTORHVGOSA-N	-1	0	268.269	0.012	20	30		CCEDRM
CON(C(=O)c1cccc(C#N)n1)[C@@H](C)CC(=O)[O-]	ZINC001599311766	997427578	/nfs/dbraw/zinc/42/75/78/997427578.db2.gz	OEOCEVIUECOYNU-QMMMGPOBSA-N	-1	0	263.253	0.820	20	30		CCEDRM
COCC[C@H](NC(=O)C#Cc1cccs1)C(=O)[O-]	ZINC001599214367	997556407	/nfs/dbraw/zinc/55/64/07/997556407.db2.gz	UZXGHKCMGQOBIP-JTQLQIEISA-N	-1	0	267.306	0.706	20	30		CCEDRM
C[C@]1(CO)C[C@@H](O)CN1Cc1cccc(C(=O)[O-])c1C#N	ZINC001594031773	997610285	/nfs/dbraw/zinc/61/02/85/997610285.db2.gz	GXFFONHUOFWWTE-IAQYHMDHSA-N	-1	0	290.319	0.574	20	30		CCEDRM
COc1cc(C#N)ccc1C(=O)N[C@@](C)(CO)C(=O)[O-]	ZINC001599349565	998069770	/nfs/dbraw/zinc/06/97/70/998069770.db2.gz	VNEIOVRFRCVXPT-ZDUSSCGKSA-N	-1	0	278.264	0.132	20	30		CCEDRM
CC1=NO[C@H](C(=O)N2CCC(C#N)(C(=O)[O-])CC2)C1	ZINC001594113218	998222220	/nfs/dbraw/zinc/22/22/20/998222220.db2.gz	DWXRVMWBZTVRDM-VIFPVBQESA-N	-1	0	265.269	0.368	20	30		CCEDRM
C[C@@H]1[C@H](C(=O)[O-])CCN1C(=O)Cc1ccc(C#N)nc1	ZINC001594148410	998506011	/nfs/dbraw/zinc/50/60/11/998506011.db2.gz	ZZLSQURFMMCFJW-BXKDBHETSA-N	-1	0	273.292	0.817	20	30		CCEDRM
C[C@@H]1CCCC[C@@H]1NC(=O)CN(CC#N)CCC(=O)[O-]	ZINC001594365862	999382657	/nfs/dbraw/zinc/38/26/57/999382657.db2.gz	JTHDKVFCSGKEJQ-NEPJUHHUSA-N	-1	0	281.356	0.982	20	30		CCEDRM
CC1(C#N)CN(C(=O)c2ccc([N-]S(C)(=O)=O)nc2)C1	ZINC000599872746	361823632	/nfs/dbraw/zinc/82/36/32/361823632.db2.gz	NBTRFBNCUUVQFD-UHFFFAOYSA-N	-1	0	294.336	0.439	20	30		CCEDRM
Cc1noc(C)c1S(=O)(=O)[N-]c1c(C#N)cnn1C	ZINC000093342303	349539726	/nfs/dbraw/zinc/53/97/26/349539726.db2.gz	MFTPMJKQGMGNPL-UHFFFAOYSA-N	-1	0	281.297	0.697	20	30		CCEDRM
N#Cc1c[n-]c(=O)n(Cc2noc(C3CCC3)n2)c1=O	ZINC000600553901	362009013	/nfs/dbraw/zinc/00/90/13/362009013.db2.gz	BJYZEUQPHYKCNN-UHFFFAOYSA-N	-1	0	273.252	0.107	20	30		CCEDRM
CC(C)(C)CN(CCC#N)C(=O)CCc1nnn[n-]1	ZINC000601039069	362138495	/nfs/dbraw/zinc/13/84/95/362138495.db2.gz	AOWQHLUJNZQBQT-UHFFFAOYSA-N	-1	0	264.333	0.921	20	30		CCEDRM
C=CC[C@@H]1CCCN(C(=O)c2cnc([O-])n(C)c2=O)C1	ZINC000617782522	365776938	/nfs/dbraw/zinc/77/69/38/365776938.db2.gz	HHRAAJPYLJSXRL-SNVBAGLBSA-N	-1	0	277.324	0.914	20	30		CCEDRM
CN1CCO[C@H](CNC(=O)c2cccn3c([O-])nnc23)C1	ZINC000329086071	529787837	/nfs/dbraw/zinc/78/78/37/529787837.db2.gz	GQIRLYDYWNULAL-SECBINFHSA-N	-1	0	291.311	0.070	20	30		CCEDRM
CC1(C)CCCN(C(=O)CCc2nnn[n-]2)[C@H]1C#N	ZINC000601532463	362302898	/nfs/dbraw/zinc/30/28/98/362302898.db2.gz	BQIUOSIEJQJGTK-VIFPVBQESA-N	-1	0	262.317	0.673	20	30		CCEDRM
N#Cc1ccc(S(=O)(=O)NC2(C(=O)[O-])CCCC2)cn1	ZINC000127106356	187282496	/nfs/dbraw/zinc/28/24/96/187282496.db2.gz	YYUDGQKCWNCKJN-UHFFFAOYSA-N	-1	0	295.320	0.629	20	30		CCEDRM
CC(C)c1nn(C)cc1C(=O)N=c1[nH][n-]cc1C#N	ZINC000601638534	362336258	/nfs/dbraw/zinc/33/62/58/362336258.db2.gz	CRKJKEUKOIETIX-UHFFFAOYSA-N	-1	0	258.285	0.812	20	30		CCEDRM
N#Cc1c[n-][nH]c1=NC(=O)[C@@H]1CCCN1c1nccs1	ZINC000601639839	362336391	/nfs/dbraw/zinc/33/63/91/362336391.db2.gz	TUHSALSUMUVVON-VIFPVBQESA-N	-1	0	288.336	0.767	20	30		CCEDRM
C[C@@H](C(=O)N=c1[nH][n-]cc1C#N)N1CCSCC1	ZINC000601638362	362335556	/nfs/dbraw/zinc/33/55/56/362335556.db2.gz	HDHGCSMCPQCDRP-QMMMGPOBSA-N	-1	0	265.342	0.079	20	30		CCEDRM
Cc1nc(C#N)c(-n2[n-]c3c(c2=O)C(C)(C)OC3)o1	ZINC000601940981	362431349	/nfs/dbraw/zinc/43/13/49/362431349.db2.gz	VRPURUVMKHLZNV-VIFPVBQESA-N	-1	0	260.253	0.982	20	30		CCEDRM
N#Cc1nc(NCCOCC(=O)[O-])ccc1Cl	ZINC000602012168	362457019	/nfs/dbraw/zinc/45/70/19/362457019.db2.gz	QMGOWJUWSUQPPC-UHFFFAOYSA-N	-1	0	255.661	0.542	20	30		CCEDRM
N#Cc1cn(CC(=O)N2CC[C@H]3CCC[C@@H]32)c(=O)[n-]c1=O	ZINC000602138316	362517709	/nfs/dbraw/zinc/51/77/09/362517709.db2.gz	KGJYBYBHOQRAHS-KOLCDFICSA-N	-1	0	288.307	0.222	20	30		CCEDRM
CN(CCC1CC1)C(=O)CCn1cc(C#N)c(=O)[n-]c1=O	ZINC000602126949	362506571	/nfs/dbraw/zinc/50/65/71/362506571.db2.gz	CPDIBNGFSGUPNO-UHFFFAOYSA-N	-1	0	290.323	0.469	20	30		CCEDRM
N#Cc1ccc2c(c1)N(C(=O)CCCc1nnn[n-]1)CC2	ZINC000602125412	362507169	/nfs/dbraw/zinc/50/71/69/362507169.db2.gz	KDNGGHYWHDDOAM-UHFFFAOYSA-N	-1	0	282.307	0.983	20	30		CCEDRM
N#Cc1cn(CC(=O)N2CCCC3(CC3)C2)c(=O)[n-]c1=O	ZINC000602145943	362524227	/nfs/dbraw/zinc/52/42/27/362524227.db2.gz	WXJZHPLIYZRFAJ-UHFFFAOYSA-N	-1	0	288.307	0.223	20	30		CCEDRM
Cc1ncc(S(=O)(=O)N[C@H](C)CC(=O)[O-])cc1C#N	ZINC000312113424	137076584	/nfs/dbraw/zinc/07/65/84/137076584.db2.gz	NOAZTMSTKXZPEZ-SSDOTTSWSA-N	-1	0	283.309	0.403	20	30		CCEDRM
N#Cc1ccc(S(=O)(=O)[N-]c2n[nH]cc2C#N)o1	ZINC000342468456	137095982	/nfs/dbraw/zinc/09/59/82/137095982.db2.gz	ZMYROZQSKDBUPK-UHFFFAOYSA-N	-1	0	263.238	0.547	20	30		CCEDRM
Cn1cc(C#N)c(=NC(=O)NCC2=CCOCC2)[n-]1	ZINC000602883794	362862663	/nfs/dbraw/zinc/86/26/63/362862663.db2.gz	XYUVGWRYHMQQEI-UHFFFAOYSA-N	-1	0	261.285	0.182	20	30		CCEDRM
Cc1nnc(CN(C)C(=O)N=c2[n-]n(C)cc2C#N)s1	ZINC000602889696	362867074	/nfs/dbraw/zinc/86/70/74/362867074.db2.gz	ZNEKATSHOFEJMF-UHFFFAOYSA-N	-1	0	291.340	0.538	20	30		CCEDRM
C[C@@H]1C[C@H](CO)CN(C(=O)N=c2[n-]n(C)cc2C#N)C1	ZINC000602888396	362867178	/nfs/dbraw/zinc/86/71/78/362867178.db2.gz	UKZDEZYRDPPXAC-ZJUUUORDSA-N	-1	0	277.328	0.196	20	30		CCEDRM
CO[C@@H]1CCCC[C@H]1NC(=O)N=c1[n-]n(C)cc1C#N	ZINC000602889043	362867253	/nfs/dbraw/zinc/86/72/53/362867253.db2.gz	WBVHREPVIGHBMI-GHMZBOCLSA-N	-1	0	277.328	0.793	20	30		CCEDRM
C[C@@H]1COC2(CCC2)CN1C(=O)N=c1[n-]n(C)cc1C#N	ZINC000602887730	362867395	/nfs/dbraw/zinc/86/73/95/362867395.db2.gz	QWPTYECXVNEJTJ-SNVBAGLBSA-N	-1	0	289.339	0.889	20	30		CCEDRM
COc1ccc(C(=O)N=c2[n-]n(C(C)C)cc2C#N)nn1	ZINC000345233710	137240598	/nfs/dbraw/zinc/24/05/98/137240598.db2.gz	GCEYIQPGBINION-UHFFFAOYSA-N	-1	0	286.295	0.808	20	30		CCEDRM
Cc1nn(C)c2nc(C)c(C(=O)[N-]S(C)(=O)=O)cc12	ZINC000048487489	348411782	/nfs/dbraw/zinc/41/17/82/348411782.db2.gz	CLYTVISQBIIVQK-UHFFFAOYSA-N	-1	0	282.325	0.849	20	30		CCEDRM
N#Cc1cnccc1/C=C\c1cn(CC(=O)[O-])nn1	ZINC000347441740	137336790	/nfs/dbraw/zinc/33/67/90/137336790.db2.gz	LNDARATVZCZLEX-UPHRSURJSA-N	-1	0	255.237	0.800	20	30		CCEDRM
C[C@@H](CNC(=O)COc1ccc(C#N)cc1)C(=O)[O-]	ZINC000054333132	348550770	/nfs/dbraw/zinc/55/07/70/348550770.db2.gz	MGJQILVPHUZNOM-VIFPVBQESA-N	-1	0	262.265	0.774	20	30		CCEDRM
Cc1ccc(C#N)cc1S(=O)(=O)N(C)[C@@H](C)C(=O)[O-]	ZINC000070430397	348888841	/nfs/dbraw/zinc/88/88/41/348888841.db2.gz	AUXOGSSSLIOJIJ-VIFPVBQESA-N	-1	0	282.321	0.960	20	30		CCEDRM
N#Cc1cccc(S(=O)(=O)N[C@@]2(C(=O)[O-])CCOC2)c1	ZINC000085855183	349336679	/nfs/dbraw/zinc/33/66/79/349336679.db2.gz	DCQYYEXHMXYIJF-LBPRGKRZSA-N	-1	0	296.304	0.080	20	30		CCEDRM
C[C@H](O)CNS(=O)(=O)c1ccc(C#N)cc1F	ZINC000123000505	350071204	/nfs/dbraw/zinc/07/12/04/350071204.db2.gz	KASIXEAJYDQUOE-ZETCQYMHSA-N	-1	0	258.274	0.356	20	30		CCEDRM
Cc1[n-]n(C)c(=O)c1C(=O)Nc1ccc(C#N)cc1	ZINC000130605013	350242117	/nfs/dbraw/zinc/24/21/17/350242117.db2.gz	FGBRHCZIRZBTBF-LLVKDONJSA-N	-1	0	256.265	0.961	20	30		CCEDRM
N#Cc1cc(C(=O)N2CCC(c3n[nH]c(=O)[n-]3)CC2)c[nH]1	ZINC000539932728	290903981	/nfs/dbraw/zinc/90/39/81/290903981.db2.gz	VSHHSDBQZKHISE-UHFFFAOYSA-N	-1	0	286.295	0.730	20	30		CCEDRM
Cn1cc(CCNS(=O)(=O)c2cccnc2C#N)cn1	ZINC000236086591	352190992	/nfs/dbraw/zinc/19/09/92/352190992.db2.gz	SYOVEGHOJYCWSZ-UHFFFAOYSA-N	-1	0	291.336	0.208	20	30		CCEDRM
CC(C)[C@H]([N-]C(=O)C(F)(F)F)C(=O)NCC#N	ZINC000274178803	353115134	/nfs/dbraw/zinc/11/51/34/353115134.db2.gz	IUYMKJGHGHALMS-LURJTMIESA-N	-1	0	251.208	0.329	20	30		CCEDRM
C[C@H]1[C@H](C(=O)[O-])CCN1S(=O)(=O)c1ccc(C#N)o1	ZINC000287419906	353645713	/nfs/dbraw/zinc/64/57/13/353645713.db2.gz	FWZVLMPKUKSYTD-IONNQARKSA-N	-1	0	284.293	0.635	20	30		CCEDRM
CC[C@](C)(CNS(=O)(=O)c1ccc(C#N)o1)C(=O)[O-]	ZINC000287639852	353659436	/nfs/dbraw/zinc/65/94/36/353659436.db2.gz	UKQOVHMYUYXBTL-LLVKDONJSA-N	-1	0	286.309	0.930	20	30		CCEDRM
N#Cc1cncc(S(=O)(=O)NC2(C(=O)[O-])CCC2)c1	ZINC000290471310	353728795	/nfs/dbraw/zinc/72/87/95/353728795.db2.gz	FGHQXPIYXJZHMG-UHFFFAOYSA-N	-1	0	281.293	0.239	20	30		CCEDRM
CCOC(=O)[C@H](C)[C@H](C)NC(=O)N=c1[n-]n(C)cc1C#N	ZINC000619203980	366216652	/nfs/dbraw/zinc/21/66/52/366216652.db2.gz	MSEUQIGLPUXKSG-BDAKNGLRSA-N	-1	0	293.327	0.423	20	30		CCEDRM
CC(=O)N1CC[C@](C)(C(=O)N=c2[nH][n-]c(C)c2C#N)C1	ZINC000557815968	291045399	/nfs/dbraw/zinc/04/53/99/291045399.db2.gz	OOJLPUKXTWLPEG-ZDUSSCGKSA-N	-1	0	275.312	0.209	20	30		CCEDRM
Cn1cc(C#N)c(=NC(=O)N2CC([C@H]3CCOC3)C2)[n-]1	ZINC000619320240	366235803	/nfs/dbraw/zinc/23/58/03/366235803.db2.gz	XQGVWXRGRUFZEB-VIFPVBQESA-N	-1	0	275.312	0.214	20	30		CCEDRM
N#CC1(NC(=O)c2c[nH]c3nc(=O)[n-]c(=O)c-3c2)CC1	ZINC000609990601	363530941	/nfs/dbraw/zinc/53/09/41/363530941.db2.gz	BXAWIEKMVYNWOJ-UHFFFAOYSA-N	-1	0	271.236	0.222	20	30		CCEDRM
C=C(C)CN(C)C(=O)N=c1ccc(C(=O)OC)n[n-]1	ZINC000619638030	366308619	/nfs/dbraw/zinc/30/86/19/366308619.db2.gz	WYIYBSAAWLTRFT-UHFFFAOYSA-N	-1	0	264.285	0.725	20	30		CCEDRM
Cn1cc(C#N)c(=NC(=O)N2CC(C3CCOCC3)C2)[n-]1	ZINC000619727554	366344337	/nfs/dbraw/zinc/34/43/37/366344337.db2.gz	FHONWWCYYYJJJU-UHFFFAOYSA-N	-1	0	289.339	0.604	20	30		CCEDRM
C[C@@H](NC(=O)N=c1[n-]n(C)cc1C#N)C(=O)NC(C)(C)C	ZINC000610527987	363572303	/nfs/dbraw/zinc/57/23/03/363572303.db2.gz	DQJYRZQYANGQNW-MRVPVSSYSA-N	-1	0	292.343	0.138	20	30		CCEDRM
Cn1cc(C#N)c(=NC(=O)N2CCSCC2)[n-]1	ZINC000610528183	363572611	/nfs/dbraw/zinc/57/26/11/363572611.db2.gz	UPADEUADDLYCOX-UHFFFAOYSA-N	-1	0	251.315	0.294	20	30		CCEDRM
COC[C@@H]1CCCN(C(=O)N=c2[n-]n(C)cc2C#N)C1	ZINC000610528265	363574264	/nfs/dbraw/zinc/57/42/64/363574264.db2.gz	ZRRFAZOEUAVNJT-SNVBAGLBSA-N	-1	0	277.328	0.604	20	30		CCEDRM
COCCN(CCC#N)C(=O)N=c1[n-]ncs1	ZINC000610540741	363574267	/nfs/dbraw/zinc/57/42/67/363574267.db2.gz	CKJRANFKPWUKON-UHFFFAOYSA-N	-1	0	255.303	0.354	20	30		CCEDRM
CC(C)C[C@H](CCO)CNC(=O)N=c1[n-]n(C)cc1C#N	ZINC000610562447	363576034	/nfs/dbraw/zinc/57/60/34/363576034.db2.gz	UGNKSTLALVRCGU-NSHDSACASA-N	-1	0	293.371	0.880	20	30		CCEDRM
CN(CC(=O)NC(C)(C)C)C(=O)N=c1[n-]n(C)cc1C#N	ZINC000610561758	363576214	/nfs/dbraw/zinc/57/62/14/363576214.db2.gz	CQTKLWPFJGNFJQ-UHFFFAOYSA-N	-1	0	292.343	0.092	20	30		CCEDRM
Cn1cc(C#N)c(=NC(=O)NC[C@H](CO)c2ccccc2)[n-]1	ZINC000610564639	363578994	/nfs/dbraw/zinc/57/89/94/363578994.db2.gz	SLPHRELGRCHXFR-CYBMUJFWSA-N	-1	0	299.334	0.611	20	30		CCEDRM
Cn1cc(C#N)c(=NC(=O)N2CCC(c3ncc[nH]3)CC2)[n-]1	ZINC000610564306	363579746	/nfs/dbraw/zinc/57/97/46/363579746.db2.gz	HJCWKFBPRPUUBQ-UHFFFAOYSA-N	-1	0	299.338	0.848	20	30		CCEDRM
Cn1cc(C#N)c(=NC(=O)NCC2(CO)CCCCC2)[n-]1	ZINC000610634655	363589197	/nfs/dbraw/zinc/58/91/97/363589197.db2.gz	YBGFQOLWQZOLQX-UHFFFAOYSA-N	-1	0	291.355	0.778	20	30		CCEDRM
COCCS(=O)(=O)[N-]c1ccc(C#N)c(C)n1	ZINC000451086710	236133287	/nfs/dbraw/zinc/13/32/87/236133287.db2.gz	GJOHKYIXMHMDFO-UHFFFAOYSA-N	-1	0	255.299	0.072	20	30		CCEDRM
C[C@H]1C[C@@H](C(=O)N=c2[nH][n-]c(C3CC3)c2C#N)CO1	ZINC000408174574	357953784	/nfs/dbraw/zinc/95/37/84/357953784.db2.gz	SDDUXYJLCGIVCZ-IONNQARKSA-N	-1	0	260.297	0.944	20	30		CCEDRM
N#Cc1cnc([N-]S(=O)(=O)c2cncc(F)c2)s1	ZINC000610725166	363604187	/nfs/dbraw/zinc/60/41/87/363604187.db2.gz	JUUXWEQYCOSHTL-UHFFFAOYSA-N	-1	0	284.297	0.772	20	30		CCEDRM
C[C@@H](C#N)CN(C)S(=O)(=O)N[C@@H](CC(F)F)C(=O)[O-]	ZINC000563227530	358557228	/nfs/dbraw/zinc/55/72/28/358557228.db2.gz	YAROSJWWKBFCCI-BQBZGAKWSA-N	-1	0	299.299	0.021	20	30		CCEDRM
N#Cc1cccc(C2(C(=O)NCCc3nc(=O)o[n-]3)CC2)c1	ZINC000568738415	358699814	/nfs/dbraw/zinc/69/98/14/358699814.db2.gz	ROEZTLVYDUYFPK-UHFFFAOYSA-N	-1	0	298.302	0.625	20	30		CCEDRM
N#Cc1ccc(S(=O)(=O)N[C@H]2C[C@H](C(=O)[O-])C2)s1	ZINC000569715203	358788104	/nfs/dbraw/zinc/78/81/04/358788104.db2.gz	CNNWDQLOOMKNMV-LJGSYFOKSA-N	-1	0	286.334	0.761	20	30		CCEDRM
C[C@H]1CC[C@@H](C(=O)[O-])N1S(=O)(=O)CC1(C#N)CC1	ZINC000585742832	359270880	/nfs/dbraw/zinc/27/08/80/359270880.db2.gz	XXLQZIZKQAZOJD-IUCAKERBSA-N	-1	0	272.326	0.557	20	30		CCEDRM
Cn1cc(C#N)c(=NC(=O)NCc2cnn3ccccc23)[n-]1	ZINC000588259734	359319646	/nfs/dbraw/zinc/31/96/46/359319646.db2.gz	LLNIJEAOAQCVMS-UHFFFAOYSA-N	-1	0	295.306	0.683	20	30		CCEDRM
CCOC(=O)c1cc(=NC(=O)CC2(C#N)CC2)[nH][n-]1	ZINC000590322609	359439390	/nfs/dbraw/zinc/43/93/90/359439390.db2.gz	USSIKBWAWNPIJM-UHFFFAOYSA-N	-1	0	262.269	0.641	20	30		CCEDRM
CC(C)[C@H]1CN(C(=O)N=c2[n-]n(C)cc2C#N)CCCO1	ZINC000590819822	359527546	/nfs/dbraw/zinc/52/75/46/359527546.db2.gz	WTTSYUJVZKCINW-GFCCVEGCSA-N	-1	0	291.355	0.992	20	30		CCEDRM
N#CC1CN(C(=O)N=c2ccc(C(F)(F)F)n[n-]2)C1	ZINC000590829504	359528725	/nfs/dbraw/zinc/52/87/25/359528725.db2.gz	DARLOUNYMAHJJX-UHFFFAOYSA-N	-1	0	271.202	0.905	20	30		CCEDRM
CC[C@H](CS(=O)(=O)[N-]c1ncc(C#N)s1)OC	ZINC000591498752	359598180	/nfs/dbraw/zinc/59/81/80/359598180.db2.gz	AXVSFFYRDFDHOC-SSDOTTSWSA-N	-1	0	275.355	0.603	20	30		CCEDRM
C[C@]1(C#N)CCCN(C(=O)C(=O)N2CC[C@H](C(=O)[O-])C2)C1	ZINC000591568484	359599846	/nfs/dbraw/zinc/59/98/46/359599846.db2.gz	NSSUQTQYIXRPNU-IINYFYTJSA-N	-1	0	293.323	0.072	20	30		CCEDRM
C=CC[C@H](NS(=O)(=O)CCCCOC)C(=O)[O-]	ZINC000274967413	192860404	/nfs/dbraw/zinc/86/04/04/192860404.db2.gz	VUXHILDSNYQILJ-VIFPVBQESA-N	-1	0	265.331	0.362	20	30		CCEDRM
N#CC1(CNC(=O)N[C@H]2CC[C@@H](C(=O)[O-])C2)CC1	ZINC000592211769	359800217	/nfs/dbraw/zinc/80/02/17/359800217.db2.gz	GRXXUJITJBCOIU-BDAKNGLRSA-N	-1	0	251.286	0.843	20	30		CCEDRM
CC(C)(C)OCCCn1c(=O)[n-]cc(C#N)c1=O	ZINC000592354372	359823671	/nfs/dbraw/zinc/82/36/71/359823671.db2.gz	CWCDOJJRUYJLQG-UHFFFAOYSA-N	-1	0	251.286	0.613	20	30		CCEDRM
CO[C@@H](CS(=O)(=O)[N-]c1ccc(C#N)cn1)C(C)C	ZINC000592381692	359829110	/nfs/dbraw/zinc/82/91/10/359829110.db2.gz	YEWDDICTHOFSMU-NSHDSACASA-N	-1	0	283.353	0.788	20	30		CCEDRM
C=CCCO[C@@H](C)C(=O)N=c1[n-]n(C)c(C)c1C#N	ZINC000592646466	359908011	/nfs/dbraw/zinc/90/80/11/359908011.db2.gz	OWIMEHGLWXOPBC-JTQLQIEISA-N	-1	0	262.313	0.942	20	30		CCEDRM
Cc1c(C#N)c(=NC(=O)c2cc([N+](=O)[O-])cn2C)[n-]n1C	ZINC000592646082	359908444	/nfs/dbraw/zinc/90/84/44/359908444.db2.gz	GDCNXRSVUZUYKV-UHFFFAOYSA-N	-1	0	288.267	0.521	20	30		CCEDRM
N#Cc1sccc1S(=O)(=O)N[C@@H]1C=C[C@@H](C(=O)[O-])C1	ZINC000593258924	360057464	/nfs/dbraw/zinc/05/74/64/360057464.db2.gz	QRCRLUGXKRZLKB-HTQZYQBOSA-N	-1	0	298.345	0.927	20	30		CCEDRM
N#Cc1ncn(CC(=O)N2CCCC[C@@H]2CC(=O)[O-])n1	ZINC000593920922	360216255	/nfs/dbraw/zinc/21/62/55/360216255.db2.gz	IUFGGTUFEMPKGI-SECBINFHSA-N	-1	0	277.284	0.006	20	30		CCEDRM
N#CC1(CS(=O)(=O)N(CC(=O)[O-])C2CCC2)CC1	ZINC000593945835	360221468	/nfs/dbraw/zinc/22/14/68/360221468.db2.gz	YHOJOOVGNDBBSW-UHFFFAOYSA-N	-1	0	272.326	0.559	20	30		CCEDRM
CC(C)[C@H](CNC(=O)N=c1ccn(CCC#N)[nH]1)C(=O)[O-]	ZINC000593956963	360222731	/nfs/dbraw/zinc/22/27/31/360222731.db2.gz	VGDUWMIICKSVSZ-JTQLQIEISA-N	-1	0	293.327	0.697	20	30		CCEDRM
CC#CC[C@@H](NS(=O)(=O)c1cnn(C(C)C)c1)C(=O)[O-]	ZINC000275040099	192887606	/nfs/dbraw/zinc/88/76/06/192887606.db2.gz	QZLDUVCHHOLYTK-LLVKDONJSA-N	-1	0	299.352	0.609	20	30		CCEDRM
Cn1cc(C#N)c(=NC(=O)N2CCC[C@@H]2C(C)(C)O)[n-]1	ZINC000611503833	363727987	/nfs/dbraw/zinc/72/79/87/363727987.db2.gz	YIXCNUSLBXPTTH-SNVBAGLBSA-N	-1	0	277.328	0.481	20	30		CCEDRM
N#Cc1ccc(C(=O)N2C[C@@H]3COC[C@]3(C(=O)[O-])C2)cc1	ZINC000595283853	360480100	/nfs/dbraw/zinc/48/01/00/360480100.db2.gz	YGAPQLCDJDEMQJ-IUODEOHRSA-N	-1	0	286.287	0.731	20	30		CCEDRM
Cc1cc(C#N)nc(N[C@@H]2C[C@@H](C(=O)[O-])C[C@H]2O)n1	ZINC000595978405	360754459	/nfs/dbraw/zinc/75/44/59/360754459.db2.gz	LOKIIZYFNXFCAM-SZEHBUNVSA-N	-1	0	262.269	0.293	20	30		CCEDRM
Cc1nsc(N[C@@H]2C[C@@H](C(=O)[O-])C[C@H]2O)c1C#N	ZINC000595978765	360754703	/nfs/dbraw/zinc/75/47/03/360754703.db2.gz	OIOWIDQZSQLUMP-FTLITQJKSA-N	-1	0	267.310	0.959	20	30		CCEDRM
Cc1nsc(N[C@@H]2C[C@H](C(=O)[O-])C[C@H]2O)c1C#N	ZINC000595978767	360754733	/nfs/dbraw/zinc/75/47/33/360754733.db2.gz	OIOWIDQZSQLUMP-NBEYISGCSA-N	-1	0	267.310	0.959	20	30		CCEDRM
Cc1cc(O[C@@H]2CCN(CC(=O)[O-])C2=O)ccc1C#N	ZINC000596011655	360773949	/nfs/dbraw/zinc/77/39/49/360773949.db2.gz	GADLPEUPCGWBHT-GFCCVEGCSA-N	-1	0	274.276	0.931	20	30		CCEDRM
COc1cc(O[C@@H]2CCN(CC(=O)[O-])C2=O)ccc1C#N	ZINC000596010432	360774246	/nfs/dbraw/zinc/77/42/46/360774246.db2.gz	AJKWWEMVJHZLPK-LLVKDONJSA-N	-1	0	290.275	0.631	20	30		CCEDRM
CN(CCC#N)S(=O)(=O)NC[C@@H](C(=O)[O-])C1CCC1	ZINC000596026782	360778267	/nfs/dbraw/zinc/77/82/67/360778267.db2.gz	MTWFFQVWDYVSRF-SNVBAGLBSA-N	-1	0	289.357	0.167	20	30		CCEDRM
C[C@@H]1[C@H]2C[C@]1(C(=O)[O-])N(S(=O)(=O)CCCC#N)C2	ZINC000596039123	360780060	/nfs/dbraw/zinc/78/00/60/360780060.db2.gz	NAUUOLQEYRUSNC-YWVKMMECSA-N	-1	0	272.326	0.415	20	30		CCEDRM
N#CC1(CC(=O)N=c2nc3ccccn3[n-]2)CCOCC1	ZINC000597665712	361180382	/nfs/dbraw/zinc/18/03/82/361180382.db2.gz	FDZYJLXIJUNTTI-UHFFFAOYSA-N	-1	0	285.307	0.800	20	30		CCEDRM
Cn1cc(C#N)c(=NC(=O)N2CCC(CC#N)CC2)[n-]1	ZINC000611621277	363750798	/nfs/dbraw/zinc/75/07/98/363750798.db2.gz	MMWODHBIMFMBTA-UHFFFAOYSA-N	-1	0	272.312	0.871	20	30		CCEDRM
N#Cc1cc(F)c(NCc2n[nH]c(=O)[n-]2)c(F)c1	ZINC000301754668	201178554	/nfs/dbraw/zinc/17/85/54/201178554.db2.gz	CNXUYYJFQDUKJM-UHFFFAOYSA-N	-1	0	251.196	0.860	20	30		CCEDRM
CN=c1[n-]nc(CC(=O)N[C@@H](C#N)CC(C)C)s1	ZINC000612736692	364003146	/nfs/dbraw/zinc/00/31/46/364003146.db2.gz	MEHHRQFRXPTXCB-MRVPVSSYSA-N	-1	0	267.358	0.599	20	30		CCEDRM
Cn1cc(C#N)c(=NC(=O)NCC2(CO)CCCC2)[n-]1	ZINC000613773210	364366789	/nfs/dbraw/zinc/36/67/89/364366789.db2.gz	XMVOOFVXYKJOCD-UHFFFAOYSA-N	-1	0	277.328	0.388	20	30		CCEDRM
CCOc1nc(C(=O)Nc2nc(C#N)c(C#N)[n-]2)co1	ZINC000614262205	364552196	/nfs/dbraw/zinc/55/21/96/364552196.db2.gz	RJCZCFWHXXWKTD-UHFFFAOYSA-N	-1	0	272.224	0.792	20	30		CCEDRM
COC1CCC(C(=O)N=c2[n-]n(C)cc2C#N)CC1	ZINC000614990852	364802905	/nfs/dbraw/zinc/80/29/05/364802905.db2.gz	UHPOFLLSKLSJRO-UHFFFAOYSA-N	-1	0	262.313	0.857	20	30		CCEDRM
C[C@@H]1CN(C(=O)N=c2[n-]n(C)cc2C#N)[C@H](C)[C@@H](C)O1	ZINC000615025477	364822404	/nfs/dbraw/zinc/82/24/04/364822404.db2.gz	RGUJDGYGFSODBV-OPRDCNLKSA-N	-1	0	277.328	0.743	20	30		CCEDRM
N#Cc1c[n-]c(=O)n(C[C@H]2CCC3(CCCC3)O2)c1=O	ZINC000566855306	291442836	/nfs/dbraw/zinc/44/28/36/291442836.db2.gz	NNFUZJKIJKNCGC-LLVKDONJSA-N	-1	0	275.308	0.900	20	30		CCEDRM
C=CCCNC(=O)C(=O)N1CC[C@@H](C(=O)[O-])[C@H](C)C1	ZINC000627279028	368942536	/nfs/dbraw/zinc/94/25/36/368942536.db2.gz	FLBNTWZZSDSSCZ-NXEZZACHSA-N	-1	0	268.313	0.248	20	30		CCEDRM
C=CC[C@@H]1CCN(C(=O)Cc2n[n-]c(=NC)s2)C1	ZINC000628490864	369276597	/nfs/dbraw/zinc/27/65/97/369276597.db2.gz	ICRILZIPCIFDSJ-SECBINFHSA-N	-1	0	266.370	0.969	20	30		CCEDRM
CC1(C)C(C(=O)Cn2c(=O)[n-]cc(C#N)c2=O)C1(C)C	ZINC000629185723	369563471	/nfs/dbraw/zinc/56/34/71/369563471.db2.gz	JGTQVDJDGJCPCZ-UHFFFAOYSA-N	-1	0	275.308	0.660	20	30		CCEDRM
C=CC(C)(C)CCNS(=O)(=O)N1CCC[C@@H]1C(=O)[O-]	ZINC000629332629	369632160	/nfs/dbraw/zinc/63/21/60/369632160.db2.gz	OSIQISQDSIDGCF-SNVBAGLBSA-N	-1	0	290.385	0.972	20	30		CCEDRM
C=C(C)C[C@@H](NC(=O)c1snnc1C)C(=O)[O-]	ZINC000630318375	370045859	/nfs/dbraw/zinc/04/58/59/370045859.db2.gz	ZNBYCDWPBCGZEU-SSDOTTSWSA-N	-1	0	255.299	0.996	20	30		CCEDRM
C=CCOCCNC(=O)CC1(C(=O)[O-])CCOCC1	ZINC000630211612	370010809	/nfs/dbraw/zinc/01/08/09/370010809.db2.gz	KYLYOFXCJLQBBO-UHFFFAOYSA-N	-1	0	271.313	0.577	20	30		CCEDRM
C=C(C)C[C@@H](NC(=O)CCCC(=O)NCC)C(=O)[O-]	ZINC000630327067	370047983	/nfs/dbraw/zinc/04/79/83/370047983.db2.gz	VVLRIPSPHZEIGW-SNVBAGLBSA-N	-1	0	270.329	0.828	20	30		CCEDRM
C=CCOC[C@@H](NC(=O)c1ccc(COC)o1)C(=O)[O-]	ZINC000630185394	369994997	/nfs/dbraw/zinc/99/49/97/369994997.db2.gz	BANOAXCEYAJBDK-SNVBAGLBSA-N	-1	0	283.280	0.812	20	30		CCEDRM
C=C(C)C[C@@H](NS(=O)(=O)c1ccoc1)C(=O)[O-]	ZINC000630438329	370116855	/nfs/dbraw/zinc/11/68/55/370116855.db2.gz	OIYDPMBHVMPGTA-SECBINFHSA-N	-1	0	259.283	0.977	20	30		CCEDRM
C=C(C)C[C@H](NC(=O)N[C@@H]1CCCOC1)C(=O)[O-]	ZINC000630475080	370129155	/nfs/dbraw/zinc/12/91/55/370129155.db2.gz	DCCVEHIWHQIRFJ-ZJUUUORDSA-N	-1	0	256.302	0.884	20	30		CCEDRM
C=C(C)C[C@H](NC(=O)NCCOCCF)C(=O)[O-]	ZINC000630483159	370131450	/nfs/dbraw/zinc/13/14/50/370131450.db2.gz	LOOVREHHDNNNEM-VIFPVBQESA-N	-1	0	262.281	0.691	20	30		CCEDRM
C[C@@H]1CN(S(=O)(=O)c2cccc(C#N)c2)C[C@H]1C(=O)[O-]	ZINC000235367315	189827399	/nfs/dbraw/zinc/82/73/99/189827399.db2.gz	GUIIRBMSFHBKJY-BXKDBHETSA-N	-1	0	294.332	0.899	20	30		CCEDRM
COC[C@H](C(=O)[O-])N(C)S(=O)(=O)CC1(CC#N)CC1	ZINC000574403919	335016980	/nfs/dbraw/zinc/01/69/80/335016980.db2.gz	ITSDQKBVSZLBNI-SECBINFHSA-N	-1	0	290.341	0.041	20	30		CCEDRM
C=CCn1c(COCCOC)n[n-]c1=Nc1cnn(C)c1	ZINC000634338502	372018009	/nfs/dbraw/zinc/01/80/09/372018009.db2.gz	BPWPMFOXDXTYPM-UHFFFAOYSA-N	-1	0	292.343	0.526	20	30		CCEDRM
C=CCC[C@@H](NC(=O)c1nnn(C(C)(C)C)n1)C(=O)[O-]	ZINC000656490678	412812782	/nfs/dbraw/zinc/81/27/82/412812782.db2.gz	FHJICWKBINZFHF-MRVPVSSYSA-N	-1	0	281.316	0.577	20	30		CCEDRM
C=CCOCCCNS(=O)(=O)c1ccc(C(=O)[O-])o1	ZINC000656725409	412847980	/nfs/dbraw/zinc/84/79/80/412847980.db2.gz	ZHWCOBCEQNJUEA-UHFFFAOYSA-N	-1	0	289.309	0.849	20	30		CCEDRM
C=CCC1(C(=O)N(C)Cc2nc(=O)o[n-]2)CCOCC1	ZINC000640454034	376371535	/nfs/dbraw/zinc/37/15/35/376371535.db2.gz	PMAUEBGQYMADAX-UHFFFAOYSA-N	-1	0	281.312	0.694	20	30		CCEDRM
N#Cc1cccc(S(=O)(=O)N[C@H]2C[C@H](C(=O)[O-])C2)c1	ZINC000574685061	335039401	/nfs/dbraw/zinc/03/94/01/335039401.db2.gz	YKBMCGTXNXADEV-MGCOHNPYSA-N	-1	0	280.305	0.700	20	30		CCEDRM
Cc1[n-]n(C)c(=O)c1C(=O)Nc1cccc(C#N)c1	ZINC000130612628	284788855	/nfs/dbraw/zinc/78/88/55/284788855.db2.gz	DISZYCZHUPGDMQ-NSHDSACASA-N	-1	0	256.265	0.961	20	30		CCEDRM
CO[C@H](C)c1nc(=NC(=O)N2CCO[C@H](C#N)C2)s[n-]1	ZINC000350654313	533117807	/nfs/dbraw/zinc/11/78/07/533117807.db2.gz	TYRXRYFBKFTJRH-HTQZYQBOSA-N	-1	0	297.340	0.424	20	30		CCEDRM
C#CCN(Cc1ccccc1)C(=O)CN1CC(=O)NC1=O	ZINC000286615594	388843929	/nfs/dbraw/zinc/84/39/29/388843929.db2.gz	UGAADUDLEUJDHR-UHFFFAOYSA-N	-1	0	285.303	0.200	20	30		CCEDRM
C=CC[C@@H](NS(=O)(=O)c1cn(C)nc1C)C(=O)[O-]	ZINC000287079554	388848937	/nfs/dbraw/zinc/84/89/37/388848937.db2.gz	CBFNZGVHPRQSHL-MRVPVSSYSA-N	-1	0	273.314	0.036	20	30		CCEDRM
C=C[C@H](CO)NC(=O)c1ccccc1[N-]S(C)(=O)=O	ZINC000290673580	388910437	/nfs/dbraw/zinc/91/04/37/388910437.db2.gz	SSAAQRIAVQYVJZ-SECBINFHSA-N	-1	0	284.337	0.335	20	30		CCEDRM
C#CCO[N-]C(=O)CS[C@@H](C)C(=O)Nc1cc(C)on1	ZINC000291322320	388920932	/nfs/dbraw/zinc/92/09/32/388920932.db2.gz	SWVMWGIJBGSBFE-VIFPVBQESA-N	-1	0	297.336	0.724	20	30		CCEDRM
CC(C)[C@@H]1C(=O)NCCN1C(=O)c1ccc(C#N)c(O)c1	ZINC000188438606	388927729	/nfs/dbraw/zinc/92/77/29/388927729.db2.gz	JFNXVPFXPPLFNL-CYBMUJFWSA-N	-1	0	287.319	0.860	20	30		CCEDRM
C[C@@H](CC#N)N(C)S(=O)(=O)N1CCCC[C@@H]1C(=O)[O-]	ZINC000063087665	388941644	/nfs/dbraw/zinc/94/16/44/388941644.db2.gz	UDJIEBVZTIGIGU-VHSXEESVSA-N	-1	0	289.357	0.404	20	30		CCEDRM
C#CCN(C)C(=O)CCn1[nH]c(=O)c2ccccc2c1=O	ZINC000191130766	389006416	/nfs/dbraw/zinc/00/64/16/389006416.db2.gz	GJNWNBPTMPYAHN-UHFFFAOYSA-N	-1	0	285.303	0.172	20	30		CCEDRM
N#Cc1ccnc(Sc2n[nH]c(=O)[n-]2)c1[N+](=O)[O-]	ZINC000193533279	389072299	/nfs/dbraw/zinc/07/22/99/389072299.db2.gz	VFZYMYZFSKIISZ-UHFFFAOYSA-N	-1	0	264.226	0.836	20	30		CCEDRM
O=C(NC1(CO)CC1)c1cc(F)cc2n[nH]nc21	ZINC000328644132	389130485	/nfs/dbraw/zinc/13/04/85/389130485.db2.gz	FTNNGCDYXBOMIY-UHFFFAOYSA-N	-1	0	250.233	0.927	20	30		CCEDRM
C=CCN(C(=O)C(=O)N=c1ccc(OC)n[n-]1)C1CC1	ZINC000342224043	389201238	/nfs/dbraw/zinc/20/12/38/389201238.db2.gz	DKURSGIDIZKWPY-UHFFFAOYSA-N	-1	0	276.296	0.023	20	30		CCEDRM
N#CC=C([O-])N=c1ccn(CCc2ccncc2)[nH]1	ZINC000358626446	389156469	/nfs/dbraw/zinc/15/64/69/389156469.db2.gz	IQFURCXDGGISHG-UHFFFAOYSA-N	-1	0	255.281	0.795	20	30		CCEDRM
C#CCNC(=O)c1ccc2c(c1)[n-]c(=S)n(C)c2=O	ZINC000125065725	389163298	/nfs/dbraw/zinc/16/32/98/389163298.db2.gz	LYXVOIRDYNZKHT-UHFFFAOYSA-N	-1	0	273.317	0.585	20	30		CCEDRM
CC(C)[C@H](C#N)NC(=O)CSc1n[nH]c(=O)[n-]1	ZINC000343636689	389268579	/nfs/dbraw/zinc/26/85/79/389268579.db2.gz	BMXMFSXGSAIFTO-LURJTMIESA-N	-1	0	255.303	0.267	20	30		CCEDRM
C=CCCS(=O)(=O)[N-][C@H](C(=O)OC)c1ccn(C)n1	ZINC000345633979	389310979	/nfs/dbraw/zinc/31/09/79/389310979.db2.gz	DBBCXFFYZZSNEP-JTQLQIEISA-N	-1	0	287.341	0.130	20	30		CCEDRM
C=CC[C@H](CO)NC(=O)N=c1ccc(OC(C)C)n[n-]1	ZINC000346530578	389331491	/nfs/dbraw/zinc/33/14/91/389331491.db2.gz	DCZDZPWEXPLZRC-SNVBAGLBSA-N	-1	0	280.328	0.744	20	30		CCEDRM
CCC[C@H](NC(=O)CSCC#N)c1nnn[n-]1	ZINC000343722248	389270232	/nfs/dbraw/zinc/27/02/32/389270232.db2.gz	GSYJRCTWXSORRY-ZETCQYMHSA-N	-1	0	254.319	0.414	20	30		CCEDRM
N#Cc1csc(C(=O)[N-]S(=O)(=O)[C@@H]2CCOC2)c1	ZINC000408489009	389367956	/nfs/dbraw/zinc/36/79/56/389367956.db2.gz	OXGZTBSVNZOYQQ-MRVPVSSYSA-N	-1	0	286.334	0.468	20	30		CCEDRM
Cc1cc(C#N)ccc1C(=O)N1CCO[C@@H](c2nnn[n-]2)C1	ZINC000370813809	389415956	/nfs/dbraw/zinc/41/59/56/389415956.db2.gz	CAYOLSZDBSWEGM-GFCCVEGCSA-N	-1	0	298.306	0.594	20	30		CCEDRM
Cc1cc(C(=O)Nc2nc(C#N)c(C#N)[n-]2)nc(C)n1	ZINC000350007185	389476948	/nfs/dbraw/zinc/47/69/48/389476948.db2.gz	KVFWWCZCCPBNMY-UHFFFAOYSA-N	-1	0	267.252	0.812	20	30		CCEDRM
CCCN1C[C@@H](C(=O)Nc2nc(C#N)c(C#N)[n-]2)CC1=O	ZINC000411358861	389425939	/nfs/dbraw/zinc/42/59/39/389425939.db2.gz	CQLZJJBAWDWZJW-QMMMGPOBSA-N	-1	0	286.295	0.350	20	30		CCEDRM
CNS(=O)(=O)c1cc(C(=O)N[C@H](C#N)C(C)C)co1	ZINC000270017097	389427688	/nfs/dbraw/zinc/42/76/88/389427688.db2.gz	CLIGZEOGBSSMTF-SECBINFHSA-N	-1	0	285.325	0.466	20	30		CCEDRM
C=C(CC)CNC(=O)C(=O)N=c1nc(CCC)[n-]s1	ZINC000411583044	389437418	/nfs/dbraw/zinc/43/74/18/389437418.db2.gz	BPSBDFNVMAVOJB-UHFFFAOYSA-N	-1	0	282.369	0.933	20	30		CCEDRM
C=CC[C@@H](CO)NC(=O)N=c1ccc(C2CC2)n[n-]1	ZINC000349832685	389442546	/nfs/dbraw/zinc/44/25/46/389442546.db2.gz	MCXHKYAGTUFPIM-JTQLQIEISA-N	-1	0	262.313	0.834	20	30		CCEDRM
C=C[C@H]1CCCCN1C(=O)c1cnc([O-])n(C)c1=O	ZINC000335907574	389615851	/nfs/dbraw/zinc/61/58/51/389615851.db2.gz	YFMKJFOUVFHYLD-VIFPVBQESA-N	-1	0	263.297	0.667	20	30		CCEDRM
Cn1cc(S(=O)(=O)N[C@@H]2CC[C@H](C#N)C2)cc1C(=O)[O-]	ZINC000424604197	389626415	/nfs/dbraw/zinc/62/64/15/389626415.db2.gz	UVOIVPPWBAVEHG-DTWKUNHWSA-N	-1	0	297.336	0.694	20	30		CCEDRM
CNC(=O)[C@H](C#N)Cn1[n-]c(C(F)(F)F)cc1=O	ZINC000181292719	389684656	/nfs/dbraw/zinc/68/46/56/389684656.db2.gz	XTTRKAIQZMRGJO-RXMQYKEDSA-N	-1	0	262.191	0.493	20	30		CCEDRM
Cc1ncc(S(=O)(=O)NC[C@@H](C)C(=O)[O-])cc1C#N	ZINC000388358227	389769326	/nfs/dbraw/zinc/76/93/26/389769326.db2.gz	DJLLNPGPCOMZIQ-SSDOTTSWSA-N	-1	0	283.309	0.261	20	30		CCEDRM
CC#CCCNC(=O)N=c1ccc(-c2ccnn2C)n[n-]1	ZINC000417323708	389811135	/nfs/dbraw/zinc/81/11/35/389811135.db2.gz	OVSDGPMQPYKUHK-UHFFFAOYSA-N	-1	0	284.323	0.834	20	30		CCEDRM
CCn1nccc1S(=O)(=O)[N-]c1ncccc1C#N	ZINC000443144275	389874437	/nfs/dbraw/zinc/87/44/37/389874437.db2.gz	FUVICEYSQFBIDR-UHFFFAOYSA-N	-1	0	277.309	0.970	20	30		CCEDRM
Cn1ccc(S(=O)(=O)[N-]c2ncccc2C#N)n1	ZINC000443138522	389874622	/nfs/dbraw/zinc/87/46/22/389874622.db2.gz	DVOWOIWYOKAVSX-UHFFFAOYSA-N	-1	0	263.282	0.488	20	30		CCEDRM
N#Cc1ccc(C(=O)Nc2c[nH]c(C(N)=O)c2)cc1[O-]	ZINC000442675084	389855799	/nfs/dbraw/zinc/85/57/99/389855799.db2.gz	XVEFECJRFFWSEF-UHFFFAOYSA-N	-1	0	270.248	0.943	20	30		CCEDRM
N#Cc1cccc(C2(C(=O)NCc3n[nH]c(=O)[n-]3)CC2)c1	ZINC000435349651	389955898	/nfs/dbraw/zinc/95/58/98/389955898.db2.gz	JNLLVLPSSUUSTB-UHFFFAOYSA-N	-1	0	283.291	0.730	20	30		CCEDRM
CC(C)n1cc(C#N)c(=NC(=O)C(=O)N(C)C2CC2)[n-]1	ZINC000446920254	389943290	/nfs/dbraw/zinc/94/32/90/389943290.db2.gz	YYRVXJVZDYIHOK-UHFFFAOYSA-N	-1	0	275.312	0.317	20	30		CCEDRM
N#CCNC(=O)CNC(=O)c1cc(F)c([O-])c(Cl)c1	ZINC000436696808	389983112	/nfs/dbraw/zinc/98/31/12/389983112.db2.gz	IALCLTOFTKCQIN-UHFFFAOYSA-N	-1	0	285.662	0.554	20	30		CCEDRM
C=CCC[C@@H](NC(=O)C(=O)c1c(C)nn(C)c1C)C(=O)[O-]	ZINC000448990903	389992379	/nfs/dbraw/zinc/99/23/79/389992379.db2.gz	IGGVLEOGHBKCIO-SNVBAGLBSA-N	-1	0	293.323	0.755	20	30		CCEDRM
C#C[C@@H](CC)NC(=O)C(=O)N=c1[n-]n(C(C)C)cc1C#N	ZINC000491362553	390112312	/nfs/dbraw/zinc/11/23/12/390112312.db2.gz	SSRSNBQSZPMGCP-NSHDSACASA-N	-1	0	287.323	0.224	20	30		CCEDRM
C=CCC1(S(=O)(=O)[N-]C(=O)/C=C\c2ccnn2C)CC1	ZINC000493699990	390127519	/nfs/dbraw/zinc/12/75/19/390127519.db2.gz	XCFVGCWADOETPH-PLNGDYQASA-N	-1	0	295.364	0.988	20	30		CCEDRM
C=C(C)CS(=O)(=O)N[C@H](C(=O)[O-])[C@@H](O)CCC	ZINC000578993239	390132024	/nfs/dbraw/zinc/13/20/24/390132024.db2.gz	UHIQSFUQKYKQNK-IUCAKERBSA-N	-1	0	265.331	0.096	20	30		CCEDRM
C=CCn1cc(C(=O)N[C@@H](CC(C)C)C(=O)[O-])nn1	ZINC000647727975	390148249	/nfs/dbraw/zinc/14/82/49/390148249.db2.gz	OEXRWBQWVZBGQZ-VIFPVBQESA-N	-1	0	266.301	0.693	20	30		CCEDRM
C=C(C)CS(=O)(=O)N(CCC(=O)[O-])C[C@H]1CCCO1	ZINC000579233145	390154093	/nfs/dbraw/zinc/15/40/93/390154093.db2.gz	ZJKTUCIKEFDKDI-LLVKDONJSA-N	-1	0	291.369	0.848	20	30		CCEDRM
C=CCn1cc(C(=O)N=c2nc(COC)[n-]s2)nn1	ZINC000648352890	390360990	/nfs/dbraw/zinc/36/09/90/390360990.db2.gz	UIGHAVODMCRXMK-UHFFFAOYSA-N	-1	0	280.313	0.136	20	30		CCEDRM
C=C[C@H](CCC(=O)[O-])NS(=O)(=O)c1ccc(C#N)o1	ZINC000562651195	390490683	/nfs/dbraw/zinc/49/06/83/390490683.db2.gz	MMJPTYQZSWVATD-MRVPVSSYSA-N	-1	0	284.293	0.849	20	30		CCEDRM
C=CCOC[C@H](NS(=O)(=O)N(C)CCCC)C(=O)[O-]	ZINC000646046981	390584395	/nfs/dbraw/zinc/58/43/95/390584395.db2.gz	XIWFVNCKGAELJO-JTQLQIEISA-N	-1	0	294.373	0.209	20	30		CCEDRM
C=CCn1cc(C(=O)N[C@@H]2CC[C@H](C(=O)[O-])C2)nn1	ZINC000649248743	390537492	/nfs/dbraw/zinc/53/74/92/390537492.db2.gz	QPVDDLXKLXHSKV-DTWKUNHWSA-N	-1	0	264.285	0.447	20	30		CCEDRM
C=CCn1cc(CNC(=O)N[C@H]2CC[C@@H](C(=O)[O-])C2)nn1	ZINC000646162939	390621917	/nfs/dbraw/zinc/62/19/17/390621917.db2.gz	OANBNJVIPDVSDZ-ZJUUUORDSA-N	-1	0	293.327	0.517	20	30		CCEDRM
CC(C)[C@H](CNS(=O)(=O)N(C)C[C@@H](C)C#N)C(=O)[O-]	ZINC000568001587	390711920	/nfs/dbraw/zinc/71/19/20/390711920.db2.gz	BTUZAZUKPOOTOF-UWVGGRQHSA-N	-1	0	291.373	0.269	20	30		CCEDRM
C=CCCS(=O)(=O)N1CCc2onc(C(=O)[O-])c2C1	ZINC000569271391	390715976	/nfs/dbraw/zinc/71/59/76/390715976.db2.gz	VZZJCDTWVPSFDF-UHFFFAOYSA-N	-1	0	286.309	0.637	20	30		CCEDRM
N#CC1(CS(=O)(=O)N2CCCC[C@@H]2C(=O)[O-])CCC1	ZINC000570187112	390717866	/nfs/dbraw/zinc/71/78/66/390717866.db2.gz	PPYJLMZUENFHNX-SNVBAGLBSA-N	-1	0	286.353	0.949	20	30		CCEDRM
C=CCOC[C@@H](NC(=O)NCc1c(C)noc1C)C(=O)[O-]	ZINC000567447264	390698763	/nfs/dbraw/zinc/69/87/63/390698763.db2.gz	TXOPNKVCTIJEIC-LLVKDONJSA-N	-1	0	297.311	0.746	20	30		CCEDRM
Cc1[n-][nH]c(=NC(=O)c2cn(C)nc2C2CC2)c1C#N	ZINC000425275101	533592541	/nfs/dbraw/zinc/59/25/41/533592541.db2.gz	BOHLFXOGHWEWAQ-UHFFFAOYSA-N	-1	0	270.296	0.875	20	30		CCEDRM
C=CCCO[C@@H](C)C(=O)N1CC[C@](COC)(C(=O)[O-])C1	ZINC000263019291	131278862	/nfs/dbraw/zinc/27/88/62/131278862.db2.gz	NSZSETPFVFDCNL-FZMZJTMJSA-N	-1	0	285.340	0.917	20	30		CCEDRM
Cc1nc(N2C[C@@H](C)O[C@H](C(=O)[O-])C2)ccc1C#N	ZINC000530177469	285557859	/nfs/dbraw/zinc/55/78/59/285557859.db2.gz	QPTKYXJWBWGNHZ-KCJUWKMLSA-N	-1	0	261.281	0.940	20	30		CCEDRM
N#Cc1nc(NC(=O)c2ccc([N+](=O)[O-])cn2)[n-]c1C#N	ZINC000532408091	285797222	/nfs/dbraw/zinc/79/72/22/285797222.db2.gz	NDZDHYGZWYLTOK-UHFFFAOYSA-N	-1	0	283.207	0.709	20	30		CCEDRM
Cc1[n-][nH]c(=NC(=O)[C@H]2CCC[C@@H](C(N)=O)C2)c1C#N	ZINC000357231749	144071144	/nfs/dbraw/zinc/07/11/44/144071144.db2.gz	MHNDABLEWYTOIW-BDAKNGLRSA-N	-1	0	275.312	0.242	20	30		CCEDRM
Cc1[n-][nH]c(=NC(=O)c2ccc(C#N)nc2)c1C#N	ZINC000357247421	144073865	/nfs/dbraw/zinc/07/38/65/144073865.db2.gz	AWTNOBAQWXIQFF-UHFFFAOYSA-N	-1	0	252.237	0.531	20	30		CCEDRM
CC[C@H](NS(=O)(=O)c1ccc(C#N)cc1OC)C(=O)[O-]	ZINC000548198876	286016173	/nfs/dbraw/zinc/01/61/73/286016173.db2.gz	DSQNKVGMGCLMQX-VIFPVBQESA-N	-1	0	298.320	0.708	20	30		CCEDRM
C=CCNC(=O)NC(=O)[C@@H](C)SC[C@H](C)C(=O)[O-]	ZINC000736106242	581696679	/nfs/dbraw/zinc/69/66/79/581696679.db2.gz	VOKYZWHKIAHBTA-JGVFFNPUSA-N	-1	0	274.342	0.841	20	30		CCEDRM
C=CCOC[C@H](NC(=O)[C@]12C[C@H]1COC2(C)C)C(=O)[O-]	ZINC000659156819	413317185	/nfs/dbraw/zinc/31/71/85/413317185.db2.gz	OSKLSMUBRPHDLY-BHDSKKPTSA-N	-1	0	283.324	0.574	20	30		CCEDRM
C=CCOC[C@@H](NC(=O)c1c(C2CC2)cnn1C)C(=O)[O-]	ZINC000659157934	413319063	/nfs/dbraw/zinc/31/90/63/413319063.db2.gz	XZIWOBWCKPSOEO-LLVKDONJSA-N	-1	0	293.323	0.683	20	30		CCEDRM
C=C[C@H](CCC(=O)[O-])NS(=O)(=O)c1cn(C)c(C)n1	ZINC000654786519	412438770	/nfs/dbraw/zinc/43/87/70/412438770.db2.gz	BMCWNSOMUOZBAZ-SECBINFHSA-N	-1	0	287.341	0.426	20	30		CCEDRM
C=CCOC[C@H](NC(=O)NCCOC(C)C)C(=O)[O-]	ZINC000654812323	412441112	/nfs/dbraw/zinc/44/11/12/412441112.db2.gz	VCONZPLZZZJENB-JTQLQIEISA-N	-1	0	274.317	0.366	20	30		CCEDRM
C[C@@H](C#N)CN(C)S(=O)(=O)c1cc(C(=O)[O-])n(C)c1	ZINC000037838498	173795272	/nfs/dbraw/zinc/79/52/72/173795272.db2.gz	GVRWEAOAUHLWBZ-QMMMGPOBSA-N	-1	0	285.325	0.503	20	30		CCEDRM
C=CC[C@H]1CCCN(C(=O)C(=O)N2CC[C@H](C(=O)[O-])C2)C1	ZINC000662911289	414886129	/nfs/dbraw/zinc/88/61/29/414886129.db2.gz	CNPVCQVHIBVLCX-RYUDHWBXSA-N	-1	0	294.351	0.734	20	30		CCEDRM
C=CCCO[C@@H](C)C(=O)NC1(C(=O)[O-])CCOCC1	ZINC000663142799	415005704	/nfs/dbraw/zinc/00/57/04/415005704.db2.gz	ROOHUAGKYDUVGW-JTQLQIEISA-N	-1	0	271.313	0.718	20	30		CCEDRM
C[C@H](OC[C@@H]1CCCCO1)C(=O)NCc1n[nH]c(=O)[n-]1	ZINC000330060404	228029685	/nfs/dbraw/zinc/02/96/85/228029685.db2.gz	MPVAFTVVEODTQU-IUCAKERBSA-N	-1	0	284.316	0.941	20	30		CCEDRM
C=CCNC(=O)CNC(=O)NC[C@@H](CC(C)C)C(=O)[O-]	ZINC000393816348	262206259	/nfs/dbraw/zinc/20/62/59/262206259.db2.gz	IELZLHDNPXCQAL-SNVBAGLBSA-N	-1	0	285.344	0.335	20	30		CCEDRM
C=C[C@H](C)NC(=O)C(=O)N=c1nc(C(C)(C)C)[n-]s1	ZINC000340800575	263306488	/nfs/dbraw/zinc/30/64/88/263306488.db2.gz	NZPXWRDHSUOQOG-ZETCQYMHSA-N	-1	0	282.369	0.887	20	30		CCEDRM
C=CCOC[C@H](NC(=O)c1ccc(C#N)c(C)n1)C(=O)[O-]	ZINC000263149790	264247843	/nfs/dbraw/zinc/24/78/43/264247843.db2.gz	XGCVYCPLYHPQCK-LBPRGKRZSA-N	-1	0	289.291	0.647	20	30		CCEDRM
COC(=O)CCc1n[n-]c(=NC(=O)N[C@H](C)CC#N)s1	ZINC000360347863	266709059	/nfs/dbraw/zinc/70/90/59/266709059.db2.gz	VQUPBOCSYBLVKA-SSDOTTSWSA-N	-1	0	297.340	0.489	20	30		CCEDRM
C=CC[C@@H](C)NC(=O)c1c[nH]c2nc(=O)[n-]c(=O)c-2c1	ZINC000116853776	267184487	/nfs/dbraw/zinc/18/44/87/267184487.db2.gz	WJRCSFXMSWWZFP-SSDOTTSWSA-N	-1	0	274.280	0.306	20	30		CCEDRM
C=CCOCCNC(=O)N[C@@H](CC1CC1)C(=O)[O-]	ZINC000385387375	545085335	/nfs/dbraw/zinc/08/53/35/545085335.db2.gz	YCOGRUPAPYPLIR-JTQLQIEISA-N	-1	0	256.302	0.742	20	30		CCEDRM
COc1ccc(=NC(=O)NC[C@@]2(O)CCSC2)[n-]n1	ZINC000330011065	295064162	/nfs/dbraw/zinc/06/41/62/295064162.db2.gz	IMGKWNLNCWLBTH-NSHDSACASA-N	-1	0	284.341	0.101	20	30		CCEDRM
Cc1n[n-]c(=NC(=O)N[C@@H]2CCCS(=O)(=O)C2)s1	ZINC000329320760	302464393	/nfs/dbraw/zinc/46/43/93/302464393.db2.gz	UFPACKMJRZWCEP-SSDOTTSWSA-N	-1	0	290.370	0.172	20	30		CCEDRM
Cn1cccc(N=C([O-])N2C[C@@H]3CC[C@H](O)[C@@H]3C2)c1=O	ZINC000329576667	302960157	/nfs/dbraw/zinc/96/01/57/302960157.db2.gz	SJWFKZWUWHZYLM-UMNHJUIQSA-N	-1	0	277.324	0.634	20	30		CCEDRM
O=C(N=c1cn[n-]s1)N1CCOC[C@@H]1[C@H]1CCCO1	ZINC000329238249	304819934	/nfs/dbraw/zinc/81/99/34/304819934.db2.gz	KZBFJROVEDCMBC-RKDXNWHRSA-N	-1	0	284.341	0.963	20	30		CCEDRM
C[C@H](CC(=O)[O-])NC(=O)CNc1cccc(C#N)c1	ZINC000427749843	533696623	/nfs/dbraw/zinc/69/66/23/533696623.db2.gz	VYPXTMOIHMZHOI-SECBINFHSA-N	-1	0	261.281	0.950	20	30		CCEDRM
C=C(C)CS(=O)(=O)N1CCO[C@H](C)[C@H]1C(=O)[O-]	ZINC000563226697	327982652	/nfs/dbraw/zinc/98/26/52/327982652.db2.gz	SSPFTNXWWZKKIY-BDAKNGLRSA-N	-1	0	263.315	0.066	20	30		CCEDRM
C=C[C@H](CCC(=O)[O-])NS(=O)(=O)CC(C)(C)OC	ZINC000568001211	328003824	/nfs/dbraw/zinc/00/38/24/328003824.db2.gz	RFHAOQCJFZNQHY-SECBINFHSA-N	-1	0	279.358	0.750	20	30		CCEDRM
N#CCNC(=O)CNC(=O)c1cc(F)c([O-])c(F)c1	ZINC000436711599	328183504	/nfs/dbraw/zinc/18/35/04/328183504.db2.gz	AKKUTMAGHGCMKO-UHFFFAOYSA-N	-1	0	269.207	0.040	20	30		CCEDRM
C=CCCCS(=O)(=O)[N-][C@H](CF)C(=O)OC	ZINC000292312662	328269550	/nfs/dbraw/zinc/26/95/50/328269550.db2.gz	NKLVNIVLURTMSI-MRVPVSSYSA-N	-1	0	253.295	0.383	20	30		CCEDRM
NC(=O)[C@@H]1CC[C@@H](CNC(=O)N=c2[n-]ncs2)O1	ZINC000330992385	328471353	/nfs/dbraw/zinc/47/13/53/328471353.db2.gz	SQEDJRRIHAUDCL-WDSKDSINSA-N	-1	0	271.302	0.369	20	30		CCEDRM
CC#CC[C@H](NS(=O)(=O)c1cncc(OC)c1)C(=O)[O-]	ZINC000281859407	328504109	/nfs/dbraw/zinc/50/41/09/328504109.db2.gz	MTKQQXAZWRZOKP-NSHDSACASA-N	-1	0	298.320	0.235	20	30		CCEDRM
Cc1ncc(C(=O)[N-]S(=O)(=O)c2cnn(C)c2)s1	ZINC000071803804	326920834	/nfs/dbraw/zinc/92/08/34/326920834.db2.gz	UEGBIJSPJZOUSY-UHFFFAOYSA-N	-1	0	286.338	0.879	20	30		CCEDRM
C=C[C@@H](CCC(=O)[O-])NS(=O)(=O)c1c[nH]cn1	ZINC000556714542	326960169	/nfs/dbraw/zinc/96/01/69/326960169.db2.gz	ICELJWAJICCEST-ZETCQYMHSA-N	-1	0	259.287	0.107	20	30		CCEDRM
C=C[C@H](CCC(=O)[O-])NS(=O)(=O)c1c(C)onc1N	ZINC000583443835	327368697	/nfs/dbraw/zinc/36/86/97/327368697.db2.gz	DNFWUHKERZUXES-SSDOTTSWSA-N	-1	0	289.313	0.093	20	30		CCEDRM
C=CCC[C@H](NS(=O)(=O)Cc1ccon1)C(=O)[O-]	ZINC000562321097	327468768	/nfs/dbraw/zinc/46/87/68/327468768.db2.gz	GWJMZAPYWXFKJP-VIFPVBQESA-N	-1	0	274.298	0.513	20	30		CCEDRM
CNS(=O)(=O)c1cc(NC(=O)CCCC#N)ccc1[O-]	ZINC000360453089	328906787	/nfs/dbraw/zinc/90/67/87/328906787.db2.gz	BCNWHOQUOYZWRK-UHFFFAOYSA-N	-1	0	297.336	0.933	20	30		CCEDRM
C=CCCCS(=O)(=O)N(CCOC)CCC(=O)[O-]	ZINC000582337093	328963967	/nfs/dbraw/zinc/96/39/67/328963967.db2.gz	OECMQVCJCRGHRH-UHFFFAOYSA-N	-1	0	279.358	0.706	20	30		CCEDRM
CS(=O)(=O)[N-]c1ccc(Cl)cc1C(=O)NCC#N	ZINC000126720200	329594011	/nfs/dbraw/zinc/59/40/11/329594011.db2.gz	IOUNVOAOPFGEII-UHFFFAOYSA-N	-1	0	287.728	0.965	20	30		CCEDRM
COC[C@](C)(NC(=O)c1cccc(CC#N)c1)C(=O)[O-]	ZINC000262151323	330000599	/nfs/dbraw/zinc/00/05/99/330000599.db2.gz	LXLFJKBMJNDLJM-AWEZNQCLSA-N	-1	0	276.292	0.972	20	30		CCEDRM
C=CCN(CC(=O)NCC(=O)[O-])Cc1ccccc1	ZINC000262269142	330003245	/nfs/dbraw/zinc/00/32/45/330003245.db2.gz	UJDHMATUSNUGDR-UHFFFAOYSA-N	-1	0	262.309	0.875	20	30		CCEDRM
C[C@@H](NS(=O)(=O)CC1(C#N)CCCCC1)C(=O)[O-]	ZINC000262344847	330007164	/nfs/dbraw/zinc/00/71/64/330007164.db2.gz	ADHZOXXEYHPWIW-SECBINFHSA-N	-1	0	274.342	0.853	20	30		CCEDRM
N#CC1(CS(=O)(=O)NCCC(=O)[O-])CCCCC1	ZINC000262363277	330010835	/nfs/dbraw/zinc/01/08/35/330010835.db2.gz	DDBSEIFGRNOLOX-UHFFFAOYSA-N	-1	0	274.342	0.855	20	30		CCEDRM
C=CCOCCCC(=O)N[C@@H](C(=O)[O-])[C@@H]1CCCOC1	ZINC000262724461	330028891	/nfs/dbraw/zinc/02/88/91/330028891.db2.gz	GDHWKTHDLMEZEW-DGCLKSJQSA-N	-1	0	285.340	0.965	20	30		CCEDRM
C=CCCO[C@H](C)C(=O)N[C@@]1(CC(=O)[O-])CCOC1	ZINC000262854617	330035455	/nfs/dbraw/zinc/03/54/55/330035455.db2.gz	DVYLPHUEUAJFOV-ZWNOBZJWSA-N	-1	0	271.313	0.718	20	30		CCEDRM
C=CCCO[C@@H](C)C(=O)N1CCO[C@H](C(=O)[O-])C1	ZINC000263050998	330040751	/nfs/dbraw/zinc/04/07/51/330040751.db2.gz	WWSHFISZAAQFJH-UWVGGRQHSA-N	-1	0	257.286	0.280	20	30		CCEDRM
C=CCOC[C@H](NC(=O)c1cc(C(C)C)n(C)n1)C(=O)[O-]	ZINC000263065799	330041704	/nfs/dbraw/zinc/04/17/04/330041704.db2.gz	QXKIUOBUZHLGFT-NSHDSACASA-N	-1	0	295.339	0.929	20	30		CCEDRM
C[C@H]1C[C@@H](C(=O)[O-])CN(S(=O)(=O)CC2(C#N)CC2)C1	ZINC000263074091	330042077	/nfs/dbraw/zinc/04/20/77/330042077.db2.gz	ATTYXJHIESTPCB-VHSXEESVSA-N	-1	0	286.353	0.663	20	30		CCEDRM
C#CCNC(=O)c1ccc(N2CC[C@](C)(C(=O)[O-])C2)nc1	ZINC000263376365	330053422	/nfs/dbraw/zinc/05/34/22/330053422.db2.gz	BLRJWLQUEVHFSV-HNNXBMFYSA-N	-1	0	287.319	0.746	20	30		CCEDRM
C#CCNC(=O)c1ccc(N2CC[C@H](C(=O)[O-])C2)nc1	ZINC000263521865	330058929	/nfs/dbraw/zinc/05/89/29/330058929.db2.gz	RHLATUTUZPFZNT-NSHDSACASA-N	-1	0	273.292	0.356	20	30		CCEDRM
C=C[C@H]1CCCCN1C(=O)C(=O)N1CCC[C@H](C(=O)[O-])C1	ZINC000422913455	330160357	/nfs/dbraw/zinc/16/03/57/330160357.db2.gz	YKKSTFXBLIREQT-RYUDHWBXSA-N	-1	0	294.351	0.877	20	30		CCEDRM
C=C(C)C[C@@H](C)C(=O)N1CCS(=O)(=O)[C@H](C(=O)[O-])C1	ZINC000424242233	330331250	/nfs/dbraw/zinc/33/12/50/330331250.db2.gz	LZTJKYUWTIFANA-ZJUUUORDSA-N	-1	0	289.353	0.299	20	30		CCEDRM
C=CC[C@@H](CO)NC(=O)NC[C@@H](CC(C)C)C(=O)[O-]	ZINC000424427806	330351702	/nfs/dbraw/zinc/35/17/02/330351702.db2.gz	WBDZVZMSJFCZNZ-MNOVXSKESA-N	-1	0	272.345	0.970	20	30		CCEDRM
C=CCCN(C)C(=O)C(=O)NC[C@@H](CC(C)C)C(=O)[O-]	ZINC000424498747	330358940	/nfs/dbraw/zinc/35/89/40/330358940.db2.gz	XMGSGSUTZIKKRG-LLVKDONJSA-N	-1	0	284.356	0.884	20	30		CCEDRM
C=CCC[C@H](NC(=O)Cn1cc(C)cn1)C(=O)[O-]	ZINC000448994947	330890430	/nfs/dbraw/zinc/89/04/30/330890430.db2.gz	PHQQZIUTOLLEOH-JTQLQIEISA-N	-1	0	251.286	0.727	20	30		CCEDRM
COCCN(CC#N)C(=O)c1cccc([N+](=O)[O-])c1[O-]	ZINC000457208322	331216014	/nfs/dbraw/zinc/21/60/14/331216014.db2.gz	WQGJTPKBKQASGT-UHFFFAOYSA-N	-1	0	279.252	0.913	20	30		CCEDRM
C#C[C@@H](C)N(C)C(=O)C(=O)N=c1ccc(OC(C)C)n[n-]1	ZINC000491070816	332146389	/nfs/dbraw/zinc/14/63/89/332146389.db2.gz	FWZNBJCUDAKXQU-SNVBAGLBSA-N	-1	0	290.323	0.104	20	30		CCEDRM
C#C[C@@H]1COCCN1C(=O)N=c1nc2ccccn2[n-]1	ZINC000491659602	332270140	/nfs/dbraw/zinc/27/01/40/332270140.db2.gz	BZCGISGJZFNAQX-SNVBAGLBSA-N	-1	0	271.280	0.017	20	30		CCEDRM
C=CCS(=O)(=O)[N-]C(=O)/C=C\c1cnn(C)c1C	ZINC000492322198	332392445	/nfs/dbraw/zinc/39/24/45/332392445.db2.gz	LBSDAGDFWMDOBY-WAYWQWQTSA-N	-1	0	269.326	0.374	20	30		CCEDRM
C=CCS(=O)(=O)[N-]C(=O)/C=C\c1ccnn1C	ZINC000492326064	332392609	/nfs/dbraw/zinc/39/26/09/332392609.db2.gz	WMQFVGXQVRCYOT-PLNGDYQASA-N	-1	0	255.299	0.065	20	30		CCEDRM
C#CCCS(=O)(=O)[N-]C(=O)/C=C\c1ccc(C)nc1	ZINC000493120699	332427107	/nfs/dbraw/zinc/42/71/07/332427107.db2.gz	JDZTUWARVPRCCB-FPLPWBNLSA-N	-1	0	278.333	0.873	20	30		CCEDRM
CC[C@H](CCC(=O)[O-])NS(=O)(=O)N(C)[C@@H](C)CC#N	ZINC000566311912	334642402	/nfs/dbraw/zinc/64/24/02/334642402.db2.gz	LDYUBXUCYOJFAA-VHSXEESVSA-N	-1	0	291.373	0.698	20	30		CCEDRM
C=C(C)COCCNC(=O)N1C[C@H](OC)C[C@H]1C(=O)[O-]	ZINC000164135119	334877152	/nfs/dbraw/zinc/87/71/52/334877152.db2.gz	WBFBJCMNXMRIMY-MNOVXSKESA-N	-1	0	286.328	0.463	20	30		CCEDRM
CO[C@H](C)c1nc(=NC(=O)NC[C@H](C)C#N)s[n-]1	ZINC000521118373	333111529	/nfs/dbraw/zinc/11/15/29/333111529.db2.gz	RDQXNYACRFGZLL-RNFRBKRXSA-N	-1	0	269.330	0.949	20	30		CCEDRM
N#C[C@H]1COCCN1Cc1c([O-])nnn1-c1ccccc1	ZINC000172947534	335125177	/nfs/dbraw/zinc/12/51/77/335125177.db2.gz	HYGNGHBYNRHYKM-LBPRGKRZSA-N	-1	0	285.307	0.697	20	30		CCEDRM
C=CCSCCNC(=O)N(CCOC)CC(=O)[O-]	ZINC000227387866	333282403	/nfs/dbraw/zinc/28/24/03/333282403.db2.gz	JDKLDWGVIYHTQD-UHFFFAOYSA-N	-1	0	276.358	0.648	20	30		CCEDRM
C=CC1CCN(S(=O)(=O)c2c(C(=O)[O-])cnn2C)CC1	ZINC000530155845	333525640	/nfs/dbraw/zinc/52/56/40/333525640.db2.gz	YJFKUJURBBCBFL-UHFFFAOYSA-N	-1	0	299.352	0.705	20	30		CCEDRM
CC#CC[C@H](NS(=O)(=O)c1cncn1CC)C(=O)[O-]	ZINC000543786852	333898626	/nfs/dbraw/zinc/89/86/26/333898626.db2.gz	RYEKOSNTIRHIOK-VIFPVBQESA-N	-1	0	285.325	0.048	20	30		CCEDRM
C=C(C)CS(=O)(=O)N1CC[C@H](C(=O)[O-])[C@@H](C)C1	ZINC000576224292	335173270	/nfs/dbraw/zinc/17/32/70/335173270.db2.gz	JCRGPZWLGOYHPG-UWVGGRQHSA-N	-1	0	261.343	0.935	20	30		CCEDRM
CC[C@]1(C(=O)[O-])CCN(S(=O)(=O)CC2(C#N)CC2)C1	ZINC000547923738	334129444	/nfs/dbraw/zinc/12/94/44/334129444.db2.gz	FSPNZLBJNGFDLW-LBPRGKRZSA-N	-1	0	286.353	0.807	20	30		CCEDRM
CN(CC(C)(C)C(=O)[O-])S(=O)(=O)CC1(C#N)CC1	ZINC000547927487	334129542	/nfs/dbraw/zinc/12/95/42/334129542.db2.gz	VYXBKCPZTZJQTF-UHFFFAOYSA-N	-1	0	274.342	0.663	20	30		CCEDRM
C=CCN(CC(=O)[O-])S(=O)(=O)c1cccc(C(N)=O)c1	ZINC000548241442	334146975	/nfs/dbraw/zinc/14/69/75/334146975.db2.gz	WYWOQXMEAAVEPX-UHFFFAOYSA-N	-1	0	298.320	0.047	20	30		CCEDRM
C[C@H]1CCN(S(=O)(=O)N(C)CCC#N)[C@H](C(=O)[O-])C1	ZINC000548250932	334147199	/nfs/dbraw/zinc/14/71/99/334147199.db2.gz	YTHSOSSAWAXDSJ-UWVGGRQHSA-N	-1	0	289.357	0.262	20	30		CCEDRM
C[C@@H]1CCN(S(=O)(=O)CCCCC#N)[C@H]1C(=O)[O-]	ZINC000548575996	334162848	/nfs/dbraw/zinc/16/28/48/334162848.db2.gz	GEIQYIJDDYCTGO-NXEZZACHSA-N	-1	0	274.342	0.805	20	30		CCEDRM
N#CC1(c2ccccn2)CCN(Cc2n[nH]c(=O)[n-]2)CC1	ZINC000548798337	334174560	/nfs/dbraw/zinc/17/45/60/334174560.db2.gz	FISMASNFFDALFL-UHFFFAOYSA-N	-1	0	284.323	0.963	20	30		CCEDRM
C=C(C)CS(=O)(=O)N[C@]1(CC(=O)[O-])CCOC1	ZINC000576277061	335181046	/nfs/dbraw/zinc/18/10/46/335181046.db2.gz	LYTRTZHCFOYASG-JTQLQIEISA-N	-1	0	263.315	0.116	20	30		CCEDRM
C=CCC[C@H](NC(=O)c1snnc1C)C(=O)[O-]	ZINC000262905557	334578276	/nfs/dbraw/zinc/57/82/76/334578276.db2.gz	MRQKRQCJVXFHPE-ZETCQYMHSA-N	-1	0	255.299	0.996	20	30		CCEDRM
C=CCC[C@H](NS(=O)(=O)c1cn(C)c(C)n1)C(=O)[O-]	ZINC000315699235	334810293	/nfs/dbraw/zinc/81/02/93/334810293.db2.gz	AUPXCJZDXKDZKB-VIFPVBQESA-N	-1	0	287.341	0.426	20	30		CCEDRM
C=CCC[C@H](NC(=O)NCCn1cccn1)C(=O)[O-]	ZINC000315695361	334810361	/nfs/dbraw/zinc/81/03/61/334810361.db2.gz	AKYLMNFFHCYCSF-JTQLQIEISA-N	-1	0	266.301	0.602	20	30		CCEDRM
C=C[C@@H](CCC(=O)[O-])NS(=O)(=O)c1c(C)cnn1C	ZINC000568598911	334831867	/nfs/dbraw/zinc/83/18/67/334831867.db2.gz	NHPPOJKYLZYKRA-VIFPVBQESA-N	-1	0	287.341	0.426	20	30		CCEDRM
CC[C@@H](C(=O)[O-])N(C)S(=O)(=O)N(CC)C[C@@H](C)C#N	ZINC000569228027	334862455	/nfs/dbraw/zinc/86/24/55/334862455.db2.gz	ZQIVFMILLFFPRS-UWVGGRQHSA-N	-1	0	291.373	0.508	20	30		CCEDRM
CC[C@@H](CS(=O)(=O)[N-]c1nn(C)cc1C#N)OC	ZINC000576349048	335192940	/nfs/dbraw/zinc/19/29/40/335192940.db2.gz	CIQILSKZUUVIAM-VIFPVBQESA-N	-1	0	272.330	0.458	20	30		CCEDRM
N#Cc1cccc(CC(=O)NC2(c3nnn[n-]3)CC2)c1	ZINC000577002003	335277099	/nfs/dbraw/zinc/27/70/99/335277099.db2.gz	ITXPSMRNWNCOGN-UHFFFAOYSA-N	-1	0	268.280	0.419	20	30		CCEDRM
C=CCCCS(=O)(=O)N(CCOC)[C@@H](C)C(=O)[O-]	ZINC000580687320	335322747	/nfs/dbraw/zinc/32/27/47/335322747.db2.gz	MYRIWAWHQNEFKZ-JTQLQIEISA-N	-1	0	279.358	0.704	20	30		CCEDRM
CC(C)N([C@@H](C)C(=O)[O-])S(=O)(=O)N(C)[C@@H](C)CC#N	ZINC000578898267	335687228	/nfs/dbraw/zinc/68/72/28/335687228.db2.gz	SNXQCVXTGZJKEV-UWVGGRQHSA-N	-1	0	291.373	0.649	20	30		CCEDRM
C[C@@H]1CCN(S(=O)(=O)c2cncc(C#N)c2)[C@H]1C(=O)[O-]	ZINC000380890750	336038690	/nfs/dbraw/zinc/03/86/90/336038690.db2.gz	ZGSSDXZERBNNIS-LDYMZIIASA-N	-1	0	295.320	0.437	20	30		CCEDRM
C#CCN(CC#N)S(=O)(=O)c1cc(C(=O)[O-])ccc1C	ZINC000382947389	336099196	/nfs/dbraw/zinc/09/91/96/336099196.db2.gz	DZDNNFXRRAVWCQ-UHFFFAOYSA-N	-1	0	292.316	0.841	20	30		CCEDRM
COC(=O)c1coc(S(=O)(=O)[N-]c2n[nH]cc2C#N)c1	ZINC000358518484	534322130	/nfs/dbraw/zinc/32/21/30/534322130.db2.gz	URPYTIBIMSQIJO-UHFFFAOYSA-N	-1	0	296.264	0.462	20	30		CCEDRM
Cc1ccc2ncc(/C([O-])=N/[C@H]3[C@@H]4COC[C@@H]43)c(=O)n2c1	ZINC000330067321	534510366	/nfs/dbraw/zinc/51/03/66/534510366.db2.gz	UJELBMZPPOJQOY-PJXYFTJBSA-N	-1	0	285.303	0.952	20	30		CCEDRM
Cc1nnc([C@@H]2CN(C(=O)N=c3cn[n-]s3)CCO2)[nH]1	ZINC000330269300	534585719	/nfs/dbraw/zinc/58/57/19/534585719.db2.gz	RUXRRXCNJOAAGH-ZETCQYMHSA-N	-1	0	295.328	0.584	20	30		CCEDRM
CSc1[n-]c(=O)c(C(=O)N2CCCO2)cc1C#N	ZINC000155821910	525914459	/nfs/dbraw/zinc/91/44/59/525914459.db2.gz	JWRNLXCZOOXVNZ-UHFFFAOYSA-N	-1	0	265.294	0.746	20	30		CCEDRM
CSc1[n-]c(=O)c(C(=O)NCC[C@@H](C)O)cc1C#N	ZINC000339940545	526215241	/nfs/dbraw/zinc/21/52/41/526215241.db2.gz	WDLBZJYDKZIACR-SSDOTTSWSA-N	-1	0	281.337	0.881	20	30		CCEDRM
C#C[C@H](NC(=O)N1CCO[C@H](C(=O)[O-])C1)C(C)C	ZINC000305932928	649888690	/nfs/dbraw/zinc/88/86/90/649888690.db2.gz	PILULSATQSWDOP-UWVGGRQHSA-N	-1	0	254.286	0.139	20	30		CCEDRM
N#CCNC(=O)COC(=O)c1ccccc1NC(=O)[O-]	ZINC000739088441	581175290	/nfs/dbraw/zinc/17/52/90/581175290.db2.gz	RDFAXVSDBJBFTA-UHFFFAOYSA-N	-1	0	277.236	0.573	20	30		CCEDRM
CN1C(=O)CN(N=Cc2ccc(O)c(C(=O)[O-])c2)C1=O	ZINC000777442923	581115651	/nfs/dbraw/zinc/11/56/51/581115651.db2.gz	PJCXTFQYCFIWMH-UHFFFAOYSA-N	-1	0	277.236	0.318	20	30		CCEDRM
CCN(C[C@@H](C)C#N)C(=O)CN1CCN(C(=O)[O-])[C@@H](C)C1	ZINC000739402908	581131041	/nfs/dbraw/zinc/13/10/41/581131041.db2.gz	IDWCVSHYWGBUOI-RYUDHWBXSA-N	-1	0	296.371	0.679	20	30		CCEDRM
CCN(CCNS(=O)(=O)CCCCC#N)C(=O)[O-]	ZINC000739434446	581136445	/nfs/dbraw/zinc/13/64/45/581136445.db2.gz	PSPRSMDEPBGOHX-UHFFFAOYSA-N	-1	0	277.346	0.600	20	30		CCEDRM
C#CCOc1ccc(NC(=O)C(=O)[N-]OCCOC)cc1	ZINC000789825858	581158462	/nfs/dbraw/zinc/15/84/62/581158462.db2.gz	JPRZLLDBCSKKTP-UHFFFAOYSA-N	-1	0	292.291	0.331	20	30		CCEDRM
COc1cccc(C=Nn2c(=O)c(C)n[n-]c2=S)n1	ZINC000790148036	581178401	/nfs/dbraw/zinc/17/84/01/581178401.db2.gz	PVSNCXCONACUEX-UHFFFAOYSA-N	-1	0	277.309	0.521	20	30		CCEDRM
CO[C@@H](C)CC(=O)[N-]S(=O)(=O)CC1(C#N)CCCC1	ZINC000779313123	581180651	/nfs/dbraw/zinc/18/06/51/581180651.db2.gz	KGXDEVSENXXQCJ-JTQLQIEISA-N	-1	0	288.369	0.941	20	30		CCEDRM
C[C@H]1CN(CC(=O)NCCC#N)C[C@H](C)N1C(=O)[O-]	ZINC000739167274	581188193	/nfs/dbraw/zinc/18/81/93/581188193.db2.gz	ABALFVYHLHLLOG-UWVGGRQHSA-N	-1	0	268.317	0.089	20	30		CCEDRM
C[C@@](CNC(=O)[O-])(NS(=O)(=O)CCCC#N)C1CC1	ZINC000738924069	581192422	/nfs/dbraw/zinc/19/24/22/581192422.db2.gz	HRTCPZBWTGDNCU-NSHDSACASA-N	-1	0	289.357	0.646	20	30		CCEDRM
O=C([O-])Cn1cc(/C=C\C(=O)c2cn3cccnc3n2)nn1	ZINC000791427563	581221300	/nfs/dbraw/zinc/22/13/00/581221300.db2.gz	JVMPEGHACOHWHP-IHWYPQMZSA-N	-1	0	298.262	0.302	20	30		CCEDRM
COCCN(CC(=O)NC1(C#N)CCCC1)C(=O)[O-]	ZINC000739820503	581240293	/nfs/dbraw/zinc/24/02/93/581240293.db2.gz	YNRLBRMKWWYNDR-UHFFFAOYSA-N	-1	0	269.301	0.565	20	30		CCEDRM
COc1ccc(OCC(=O)N(CC#N)CC(=O)[O-])cc1	ZINC000738048410	581248479	/nfs/dbraw/zinc/24/84/79/581248479.db2.gz	QACVAPDJEXQGOZ-UHFFFAOYSA-N	-1	0	278.264	0.511	20	30		CCEDRM
C=CCS(=O)(=O)[N-]C(=O)[C@H]1C[C@@H](C(C)=O)C1(C)C	ZINC000781526228	581271260	/nfs/dbraw/zinc/27/12/60/581271260.db2.gz	BABYZEUSMPYXMT-VHSXEESVSA-N	-1	0	273.354	0.870	20	30		CCEDRM
CC[C@H](NN=C1CCN(c2cnccn2)CC1)C(=O)[O-]	ZINC000793071005	581283098	/nfs/dbraw/zinc/28/30/98/581283098.db2.gz	BXGNIXKKVIYETR-NSHDSACASA-N	-1	0	277.328	0.886	20	30		CCEDRM
N#CC1(CS(=O)(=O)[N-]C(=O)c2cc(C3CC3)n[nH]2)CC1	ZINC000793193632	581287789	/nfs/dbraw/zinc/28/77/89/581287789.db2.gz	AEYYYMLUTGQAAT-UHFFFAOYSA-N	-1	0	294.336	0.650	20	30		CCEDRM
N#CCCCS(=O)(=O)NCCCN(C(=O)[O-])C1CC1	ZINC000740308059	581322888	/nfs/dbraw/zinc/32/28/88/581322888.db2.gz	UDTFNQQSNURLKN-UHFFFAOYSA-N	-1	0	289.357	0.742	20	30		CCEDRM
N#Cc1cccc(NC(=O)[C@H]2C[C@@H](O)CN2C(=O)[O-])c1	ZINC000740320119	581325782	/nfs/dbraw/zinc/32/57/82/581325782.db2.gz	HNJIQCZEUMPEJH-GHMZBOCLSA-N	-1	0	275.264	0.610	20	30		CCEDRM
C=C[C@@](C)(CCOC)C(=O)[N-]S(=O)(=O)N(C)C(C)C	ZINC000783090740	581335836	/nfs/dbraw/zinc/33/58/36/581335836.db2.gz	KQAUMIMIYPZFAU-LBPRGKRZSA-N	-1	0	292.401	0.916	20	30		CCEDRM
COc1cccc([C@@H](C#N)NC(=O)CNC(=O)[O-])c1OC	ZINC000738090284	581342266	/nfs/dbraw/zinc/34/22/66/581342266.db2.gz	RSXXOOVJWJTEGD-SECBINFHSA-N	-1	0	293.279	0.652	20	30		CCEDRM
CC[C@@H](OC)C(=O)OCc1cc(=O)n2[n-]cc(C#N)c2n1	ZINC000783265671	581342569	/nfs/dbraw/zinc/34/25/69/581342569.db2.gz	PLBHAMLVIOMVTC-SNVBAGLBSA-N	-1	0	290.279	0.775	20	30		CCEDRM
N#Cc1c[n-]n2c1nc(COC(=O)[C@H](O)C1CC1)cc2=O	ZINC000783561468	581350019	/nfs/dbraw/zinc/35/00/19/581350019.db2.gz	PQYCXCWJJYUKDN-LLVKDONJSA-N	-1	0	288.263	0.121	20	30		CCEDRM
C=CCCO[C@@H](C)C(=O)N1CC[C@@H](NC(=O)[O-])C1	ZINC000738493459	581361634	/nfs/dbraw/zinc/36/16/34/581361634.db2.gz	NZKKYDOACZSXDM-VHSXEESVSA-N	-1	0	256.302	0.836	20	30		CCEDRM
O=C([O-])Cn1cc(/C=C/C(=O)c2ccnc(F)c2)nn1	ZINC000794721312	581385347	/nfs/dbraw/zinc/38/53/47/581385347.db2.gz	JPKNXPGFHVQSOT-OWOJBTEDSA-N	-1	0	276.227	0.793	20	30		CCEDRM
C[C@@H](Oc1ccc(C=NNS(C)(=O)=O)cc1)C(=O)[O-]	ZINC000794918108	581391074	/nfs/dbraw/zinc/39/10/74/581391074.db2.gz	OYLLALBZCRNAEK-MRVPVSSYSA-N	-1	0	286.309	0.422	20	30		CCEDRM
C=CCS(=O)(=O)[N-]C(=O)C[C@@H]1CCC(=O)[C@H]1C	ZINC000796794158	581450824	/nfs/dbraw/zinc/45/08/24/581450824.db2.gz	YLIKCDBWKDPSCL-IUCAKERBSA-N	-1	0	259.327	0.624	20	30		CCEDRM
C#CCCCCCC(=O)[N-]S(=O)(=O)c1cc[nH]n1	ZINC000796883546	581453848	/nfs/dbraw/zinc/45/38/48/581453848.db2.gz	UNFQTOGGWXVYQB-UHFFFAOYSA-N	-1	0	269.326	0.798	20	30		CCEDRM
N#Cc1ccc(C(=O)[N-]S(=O)(=O)[C@@H]2CCCOC2)o1	ZINC000797048295	581458549	/nfs/dbraw/zinc/45/85/49/581458549.db2.gz	JQGZFFXGRIABNB-SECBINFHSA-N	-1	0	284.293	0.390	20	30		CCEDRM
Cn1nc(COC(=O)c2cccc(CC#N)c2)[n-]c1=O	ZINC000765442603	581515097	/nfs/dbraw/zinc/51/50/97/581515097.db2.gz	FLVKTBLBOGIHFM-UHFFFAOYSA-N	-1	0	272.264	0.531	20	30		CCEDRM
CC(C)CCN(CCC#N)C(=O)c1cc(=O)[nH][n-]1	ZINC000752820030	581518246	/nfs/dbraw/zinc/51/82/46/581518246.db2.gz	RSKMIVZXBXKUPP-UHFFFAOYSA-N	-1	0	250.302	0.651	20	30		CCEDRM
CC[C@H](C)[C@@H](NC(=O)[O-])C(=O)NC1CCN(CC#N)CC1	ZINC000739225750	581524916	/nfs/dbraw/zinc/52/49/16/581524916.db2.gz	FOOXQMPNHLZUCQ-CMPLNLGQSA-N	-1	0	296.371	0.773	20	30		CCEDRM
CCC[C@@](C)(NC(=O)[O-])C(=O)NC1CCN(CC#N)CC1	ZINC000739287958	581532105	/nfs/dbraw/zinc/53/21/05/581532105.db2.gz	GOPOOVCGEADUME-CQSZACIVSA-N	-1	0	296.371	0.917	20	30		CCEDRM
COCCCNC(=O)C(C#N)=C([O-])c1cccc(OC)n1	ZINC000752162670	581540068	/nfs/dbraw/zinc/54/00/68/581540068.db2.gz	GNTUYPCTEHASBQ-SNVBAGLBSA-N	-1	0	291.307	0.565	20	30		CCEDRM
COC(C)(C)CC=Nn1c(=O)c(C)n[n-]c1=S	ZINC000765992737	581545636	/nfs/dbraw/zinc/54/56/36/581545636.db2.gz	GDFJRQFFPPEBJE-UHFFFAOYSA-N	-1	0	256.331	0.884	20	30		CCEDRM
Cn1cc(C#N)cc1C(=O)[N-]S(=O)(=O)CC1(C#N)CC1	ZINC000753944834	581566273	/nfs/dbraw/zinc/56/62/73/581566273.db2.gz	GMLWGBRZDUEITC-UHFFFAOYSA-N	-1	0	292.320	0.260	20	30		CCEDRM
CC(C)S(=O)(=O)[N-]C(=O)c1ccc(C#N)nc1	ZINC000734710430	581583303	/nfs/dbraw/zinc/58/33/03/581583303.db2.gz	FALFIXJOROQADQ-UHFFFAOYSA-N	-1	0	253.283	0.421	20	30		CCEDRM
CN(CCNC(=O)C(=O)Nc1ccc(C#N)cc1)C(=O)[O-]	ZINC000739687511	581593093	/nfs/dbraw/zinc/59/30/93/581593093.db2.gz	PCYXUBMWSNEDRJ-UHFFFAOYSA-N	-1	0	290.279	0.223	20	30		CCEDRM
CN(CCCNS(=O)(=O)c1ccc(C#N)nc1)C(=O)[O-]	ZINC000739684594	581593233	/nfs/dbraw/zinc/59/32/33/581593233.db2.gz	LVSLOUTZKDQSCR-UHFFFAOYSA-N	-1	0	298.324	0.231	20	30		CCEDRM
C#CCC(C)(C)C(=O)N1CCC[C@H](c2nnn[n-]2)C1	ZINC000767101547	581596537	/nfs/dbraw/zinc/59/65/37/581596537.db2.gz	DBDPXGTUUZGRII-JTQLQIEISA-N	-1	0	261.329	0.955	20	30		CCEDRM
CC#CCS(=O)(=O)[N-]C(=O)[C@@H](C)C1CCOCC1	ZINC000788067493	581609925	/nfs/dbraw/zinc/60/99/25/581609925.db2.gz	FASRBYQJAMFJDY-JTQLQIEISA-N	-1	0	273.354	0.518	20	30		CCEDRM
N#Cc1ccc(S(=O)(=O)NC2(C(=O)[O-])CC2)cc1	ZINC000201850044	581635028	/nfs/dbraw/zinc/63/50/28/581635028.db2.gz	DQMBAWSOILYHAI-UHFFFAOYSA-N	-1	0	266.278	0.454	20	30		CCEDRM
N#CCCCCNC(=O)NCCN1CCN(C(=O)[O-])CC1	ZINC000740306359	581662917	/nfs/dbraw/zinc/66/29/17/581662917.db2.gz	FJWQWHHPDSCHHW-UHFFFAOYSA-N	-1	0	297.359	0.275	20	30		CCEDRM
N#C[C@H]1CN(C(=O)NCCN(C(=O)[O-])C2CC2)CCO1	ZINC000740306104	581662986	/nfs/dbraw/zinc/66/29/86/581662986.db2.gz	BIELIIIUHDIJBW-JTQLQIEISA-N	-1	0	282.300	0.063	20	30		CCEDRM
N#CCCN(CC1CC1)C(=O)CSCC(=O)[O-]	ZINC000740307848	581663476	/nfs/dbraw/zinc/66/34/76/581663476.db2.gz	BRCZZXZBLKOTQY-UHFFFAOYSA-N	-1	0	256.327	0.956	20	30		CCEDRM
N#CC1(C(=O)NC[C@@H]2CCCN2C(=O)[O-])CCOCC1	ZINC000740308618	581663562	/nfs/dbraw/zinc/66/35/62/581663562.db2.gz	AAHDKLLFNHSAGQ-JTQLQIEISA-N	-1	0	281.312	0.565	20	30		CCEDRM
N#Cc1ccc(CC(=O)NC2CN(C(=O)[O-])C2)cc1	ZINC000740313081	581664638	/nfs/dbraw/zinc/66/46/38/581664638.db2.gz	ORAUSYWIZHRBEI-UHFFFAOYSA-N	-1	0	259.265	0.579	20	30		CCEDRM
N#CCOc1ccccc1C(=O)NC1CN(C(=O)[O-])C1	ZINC000740311663	581664743	/nfs/dbraw/zinc/66/47/43/581664743.db2.gz	WTOICMJXIXJWOA-UHFFFAOYSA-N	-1	0	275.264	0.681	20	30		CCEDRM
N#Cc1cccc(COC(=O)COCCNC(=O)[O-])c1	ZINC000740320742	581665059	/nfs/dbraw/zinc/66/50/59/581665059.db2.gz	YOTNHIAXBPQJMN-UHFFFAOYSA-N	-1	0	278.264	0.886	20	30		CCEDRM
N#Cc1ccccc1OCC(=O)NC1CN(C(=O)[O-])C1	ZINC000740324460	581665806	/nfs/dbraw/zinc/66/58/06/581665806.db2.gz	YBABVMDKXGOBDH-UHFFFAOYSA-N	-1	0	275.264	0.415	20	30		CCEDRM
N#Cc1cccc(OCC(=O)NC2CN(C(=O)[O-])C2)c1	ZINC000740323748	581666113	/nfs/dbraw/zinc/66/61/13/581666113.db2.gz	UQVMTUJHYZUWTR-UHFFFAOYSA-N	-1	0	275.264	0.415	20	30		CCEDRM
CC(C)OCCCn1c(N)nc(-c2nnn[n-]2)c1C#N	ZINC000735903488	581670869	/nfs/dbraw/zinc/67/08/69/581670869.db2.gz	HCRYLUOXRBZNOB-UHFFFAOYSA-N	-1	0	276.304	0.332	20	30		CCEDRM
C[C@H](C#N)NC(=O)C1=NN(c2ccccc2)[C@H](C(=O)[O-])C1	ZINC000738605881	581687073	/nfs/dbraw/zinc/68/70/73/581687073.db2.gz	YYFLUBHZFBVLIU-SKDRFNHKSA-N	-1	0	286.291	0.734	20	30		CCEDRM
C#CCNC(=O)COC(=O)c1cccc(NC(=O)[O-])c1	ZINC000736075684	581694739	/nfs/dbraw/zinc/69/47/39/581694739.db2.gz	BCSGGOJPVRBQBW-UHFFFAOYSA-N	-1	0	276.248	0.683	20	30		CCEDRM
C=CCCCn1cnc2c(cnn2CC(=O)[O-])c1=O	ZINC000736102286	581696447	/nfs/dbraw/zinc/69/64/47/581696447.db2.gz	FTJICWWEFFFHKE-UHFFFAOYSA-N	-1	0	262.269	0.644	20	30		CCEDRM
C=CCOCC(=O)O[C@H](C)C(=O)N1CCC(C(=O)[O-])CC1	ZINC000736109527	581697041	/nfs/dbraw/zinc/69/70/41/581697041.db2.gz	NDNBWFGLCRKVFK-SNVBAGLBSA-N	-1	0	299.323	0.444	20	30		CCEDRM
C=CCN(CC=C)C(=O)[C@@H](C)N1CCO[C@H](C(=O)[O-])C1	ZINC000736107926	581697439	/nfs/dbraw/zinc/69/74/39/581697439.db2.gz	AZUBNPSYQSPKCR-NEPJUHHUSA-N	-1	0	282.340	0.361	20	30		CCEDRM
C=C(C)CN(CC)C(=O)CS(=O)(=O)[C@@H](C)CC(=O)[O-]	ZINC000736095009	581702240	/nfs/dbraw/zinc/70/22/40/581702240.db2.gz	DEHCRZSLTZESIW-JTQLQIEISA-N	-1	0	291.369	0.689	20	30		CCEDRM
CC(C)(C)C(=O)NCCCC(=O)N(CC#N)CC(=O)[O-]	ZINC000736242806	581720899	/nfs/dbraw/zinc/72/08/99/581720899.db2.gz	ZEFLXVIMZMUDJW-UHFFFAOYSA-N	-1	0	283.328	0.366	20	30		CCEDRM
C=CCCO[C@@H](C)C(=O)[N-]S(=O)(=O)C[C@@H]1CCOC1	ZINC000762138941	581724504	/nfs/dbraw/zinc/72/45/04/581724504.db2.gz	MGGIRLSLPYNFQJ-WDEREUQCSA-N	-1	0	291.369	0.450	20	30		CCEDRM
CC(C)(C#N)NC(=O)CN(C[C@@H]1CCCO1)C(=O)[O-]	ZINC000738651240	581734110	/nfs/dbraw/zinc/73/41/10/581734110.db2.gz	JTZUWBVXNWYVPB-VIFPVBQESA-N	-1	0	269.301	0.564	20	30		CCEDRM
O=C([O-])COc1ccc(C=NN2C(=O)CNC2=O)cc1	ZINC000770618681	581756704	/nfs/dbraw/zinc/75/67/04/581756704.db2.gz	UAGVUAKKEGJWEI-UHFFFAOYSA-N	-1	0	277.236	0.036	20	30		CCEDRM
COc1cc(Cl)cc(C=NOCC(N)=O)c1O	ZINC000758882701	581773467	/nfs/dbraw/zinc/77/34/67/581773467.db2.gz	JZHFXDFGKPEOIZ-UHFFFAOYSA-N	-1	0	258.661	0.890	20	30		CCEDRM
COc1cc(C=NOCC(N)=O)cc([N+](=O)[O-])c1[O-]	ZINC000771575689	581809755	/nfs/dbraw/zinc/80/97/55/581809755.db2.gz	WFTLGGOSUNUMBY-UHFFFAOYSA-N	-1	0	269.213	0.145	20	30		CCEDRM
N#Cc1ccc([O-])c(NC(=O)CC[C@H]2NC(=O)NC2=O)c1	ZINC000759717642	581817414	/nfs/dbraw/zinc/81/74/14/581817414.db2.gz	KIYQDXLKWZBVGV-MRVPVSSYSA-N	-1	0	288.263	0.191	20	30		CCEDRM
C=CCC(CC=C)C(=O)OCc1nc(=O)n(C)[nH]1	ZINC000765496981	581830674	/nfs/dbraw/zinc/83/06/74/581830674.db2.gz	QFXHRKRDQVVGIE-UHFFFAOYSA-N	-1	0	251.286	0.920	20	30		CCEDRM
C=CCS(=O)(=O)[N-]C(=O)[C@@H](C)Oc1ccc(C#N)cc1	ZINC000772722793	581886516	/nfs/dbraw/zinc/88/65/16/581886516.db2.gz	FDEWBEZPIOEFAT-SNVBAGLBSA-N	-1	0	294.332	0.958	20	30		CCEDRM
C=CCS(=O)(=O)[N-]C(=O)CN1CCCCCCC1=O	ZINC000772721484	581886748	/nfs/dbraw/zinc/88/67/48/581886748.db2.gz	QZTWDYKVVOMAEF-UHFFFAOYSA-N	-1	0	288.369	0.411	20	30		CCEDRM
N#CC(C(=O)NC1CCCC1)=C([O-])c1cncnc1	ZINC000761093919	581888021	/nfs/dbraw/zinc/88/80/21/581888021.db2.gz	PGHQWNFROKKPSX-NSHDSACASA-N	-1	0	258.281	0.858	20	30		CCEDRM
N#Cc1ccc(N2CCC[C@H]2C(=O)[N-]OCC(N)=O)cc1	ZINC000772940831	581902061	/nfs/dbraw/zinc/90/20/61/581902061.db2.gz	VSISVEDSJPYXSB-LBPRGKRZSA-N	-1	0	288.307	0.060	20	30		CCEDRM
CC(=NNc1nccn(C)c1=O)c1ccc(C(=O)[O-])o1	ZINC000773057712	581906990	/nfs/dbraw/zinc/90/69/90/581906990.db2.gz	HBPHMAWCHGKGTM-UHFFFAOYSA-N	-1	0	276.252	0.908	20	30		CCEDRM
CC(N=Nc1ccc(C(N)=O)nn1)c1ccc(C(=O)[O-])o1	ZINC000773057197	581907165	/nfs/dbraw/zinc/90/71/65/581907165.db2.gz	BDMNBMSTFMGNHA-UHFFFAOYSA-N	-1	0	289.251	0.703	20	30		CCEDRM
Cc1nnc(NN=Cc2cnc3cnccn23)[n-]c1=O	ZINC000746370065	581911760	/nfs/dbraw/zinc/91/17/60/581911760.db2.gz	FCZBFVRQHWMVCZ-UHFFFAOYSA-N	-1	0	270.256	0.374	20	30		CCEDRM
CCOCCCn1cc(C(=O)[O-])cc(C#N)c1=O	ZINC000737166075	581916864	/nfs/dbraw/zinc/91/68/64/581916864.db2.gz	BDCDBCXARBHLCW-UHFFFAOYSA-N	-1	0	250.254	0.845	20	30		CCEDRM
CNC(=S)NN=Cc1cccc(OCCC(=O)[O-])c1	ZINC000746677145	581922064	/nfs/dbraw/zinc/92/20/64/581922064.db2.gz	RRPYEQVDCUSFIY-UHFFFAOYSA-N	-1	0	281.337	0.968	20	30		CCEDRM
C#CCCCCC(=O)N1CCO[C@@H](c2nnn[n-]2)C1	ZINC000773341154	581922416	/nfs/dbraw/zinc/92/24/16/581922416.db2.gz	MLZIVKBOQHJEHK-SNVBAGLBSA-N	-1	0	263.301	0.293	20	30		CCEDRM
C[C@H]1COCC[C@H]1C(=O)[N-]S(=O)(=O)CCCC#N	ZINC000774175231	581923337	/nfs/dbraw/zinc/92/33/37/581923337.db2.gz	ZXMKGACXSYYGHV-VHSXEESVSA-N	-1	0	274.342	0.409	20	30		CCEDRM
N#Cc1ccc(C(=O)[N-]S(=O)(=O)Cc2ccon2)cn1	ZINC000747184850	581934739	/nfs/dbraw/zinc/93/47/39/581934739.db2.gz	OJQPBAISUADVKW-UHFFFAOYSA-N	-1	0	292.276	0.201	20	30		CCEDRM
CN(C(=O)[O-])C1CCN(C(=O)C2(C#N)CCOCC2)CC1	ZINC000737928239	581940891	/nfs/dbraw/zinc/94/08/91/581940891.db2.gz	KUSJCKMANWRTFU-UHFFFAOYSA-N	-1	0	295.339	0.908	20	30		CCEDRM
CCn1cc(C#N)c(=O)n(Cc2cc(C(=O)[O-])co2)c1=O	ZINC000737300122	581942537	/nfs/dbraw/zinc/94/25/37/581942537.db2.gz	WTORPJPYFCQEJE-UHFFFAOYSA-N	-1	0	289.247	0.241	20	30		CCEDRM
CN(C)c1ccc(C(=O)N(CC#N)CC(=O)[O-])cc1F	ZINC000737374405	581949405	/nfs/dbraw/zinc/94/94/05/581949405.db2.gz	OBCRMKYOHQUVTR-UHFFFAOYSA-N	-1	0	279.271	0.942	20	30		CCEDRM
CN(CC(=O)N(CC#N)CC(=O)[O-])C(=O)OC(C)(C)C	ZINC000737385544	581950507	/nfs/dbraw/zinc/95/05/07/581950507.db2.gz	FGFQRDMSDFRYEF-UHFFFAOYSA-N	-1	0	285.300	0.290	20	30		CCEDRM
Cc1nn(CCCCC#N)c(=O)c(-c2nnn[n-]2)c1C	ZINC000737513138	581969782	/nfs/dbraw/zinc/96/97/82/581969782.db2.gz	GXXKBHVDULOHFV-UHFFFAOYSA-N	-1	0	273.300	0.734	20	30		CCEDRM
C[C@@H]1CC(=O)CC[C@H]1C(=O)[N-]S(=O)(=O)CCCC#N	ZINC000763031705	581978601	/nfs/dbraw/zinc/97/86/01/581978601.db2.gz	YBMBXYKTKDOYOK-MWLCHTKSSA-N	-1	0	286.353	0.741	20	30		CCEDRM
C=CCS(=O)(=O)[N-]C(=O)c1cccc(CC#N)c1	ZINC000763034200	581979481	/nfs/dbraw/zinc/97/94/81/581979481.db2.gz	RBCOCKWJYPKESD-UHFFFAOYSA-N	-1	0	264.306	0.998	20	30		CCEDRM
COC(=O)CN(CC(=O)[O-])Cc1ccccc1C#N	ZINC000737617998	581992172	/nfs/dbraw/zinc/99/21/72/581992172.db2.gz	JPDBIGPKQKBGEG-UHFFFAOYSA-N	-1	0	262.265	0.618	20	30		CCEDRM
COc1ncnc(N)c1C=[NH+][N-]c1ccc(C(=O)[O-])cn1	ZINC000763371553	581996573	/nfs/dbraw/zinc/99/65/73/581996573.db2.gz	DNEZLCZTFZSAOZ-UHFFFAOYSA-N	-1	0	288.267	0.607	20	30		CCEDRM
N#Cc1ccc(C(=O)OCc2n[nH]c(=O)[n-]2)s1	ZINC000774960339	582005814	/nfs/dbraw/zinc/00/58/14/582005814.db2.gz	CUFUMZJLVSVCGS-UHFFFAOYSA-N	-1	0	250.239	0.800	20	30		CCEDRM
COc1ccc(C#N)cc1NC(=O)C(=O)NCCC(=O)[O-]	ZINC000737921268	582007636	/nfs/dbraw/zinc/00/76/36/582007636.db2.gz	YDSNYMGMZMUSAH-UHFFFAOYSA-N	-1	0	291.263	0.096	20	30		CCEDRM
CCOCCO[N-]C(=O)Cc1noc(C)c1C#N	ZINC000775237214	582015232	/nfs/dbraw/zinc/01/52/32/582015232.db2.gz	UPROKRLCLFMXEX-UHFFFAOYSA-N	-1	0	253.258	0.482	20	30		CCEDRM
CS(=O)(=O)CC(=O)O[C@@H](C(=O)[O-])c1ccc(C#N)cc1	ZINC000738151297	582025340	/nfs/dbraw/zinc/02/53/40/582025340.db2.gz	UIYZQRIPQUOBDB-LLVKDONJSA-N	-1	0	297.288	0.272	20	30		CCEDRM
COCC#CCSc1nc([O-])cc(=O)n1CCOC	ZINC000775677128	582033692	/nfs/dbraw/zinc/03/36/92/582033692.db2.gz	GYRHVVDNPDKGPI-UHFFFAOYSA-N	-1	0	284.337	0.337	20	30		CCEDRM
N#Cc1ccc(N2CCC[C@H]2C(=O)NCC(=O)[O-])cc1	ZINC000738432318	582049141	/nfs/dbraw/zinc/04/91/41/582049141.db2.gz	INGXDSQUPXMNQO-LBPRGKRZSA-N	-1	0	273.292	0.728	20	30		CCEDRM
Cn1ncc(C(=O)[N-]S(=O)(=O)CCCC#N)c1C1CC1	ZINC000776121692	582052924	/nfs/dbraw/zinc/05/29/24/582052924.db2.gz	JAMVZHBEPHPUFV-UHFFFAOYSA-N	-1	0	296.352	0.661	20	30		CCEDRM
C#CCNC(=O)c1ccc(NCCNC(=O)[O-])nc1	ZINC000738463370	582053967	/nfs/dbraw/zinc/05/39/67/582053967.db2.gz	RNMLOVWFHAIDFP-UHFFFAOYSA-N	-1	0	262.269	0.124	20	30		CCEDRM
C[C@H](C#N)OC(=O)c1cn(C2CCN(C(=O)[O-])CC2)nn1	ZINC000738600425	582064819	/nfs/dbraw/zinc/06/48/19/582064819.db2.gz	IGDHVROFKJCVAQ-MRVPVSSYSA-N	-1	0	293.283	0.662	20	30		CCEDRM
C[C@@H](C#N)NC(=O)[C@H](Cc1ccccc1)NC(=O)[O-]	ZINC000738601094	582064854	/nfs/dbraw/zinc/06/48/54/582064854.db2.gz	KPCMLFPXRXYQGD-ONGXEEELSA-N	-1	0	261.281	0.894	20	30		CCEDRM
CC(C)[C@@H](C#N)N1CCN(C(=O)CSCC(=O)[O-])CC1	ZINC000738760620	582073937	/nfs/dbraw/zinc/07/39/37/582073937.db2.gz	CRFHBVPKAJZKSI-LLVKDONJSA-N	-1	0	299.396	0.497	20	30		CCEDRM
CC(C)[C@H](C#N)N1CCN(C(=O)[C@H](C)NC(=O)[O-])CC1	ZINC000738761547	582074328	/nfs/dbraw/zinc/07/43/28/582074328.db2.gz	KEZTXKSWPFBMQC-QWRGUYRKSA-N	-1	0	282.344	0.335	20	30		CCEDRM
C[C@H](CCNS(=O)(=O)CC1(C#N)CC1)C(=O)[O-]	ZINC000776589617	582083191	/nfs/dbraw/zinc/08/31/91/582083191.db2.gz	OCXZZZSSFOMKGQ-MRVPVSSYSA-N	-1	0	260.315	0.320	20	30		CCEDRM
C=CCCS(=O)(=O)N[C@H](C(=O)[O-])[C@@H](O)c1ccccc1	ZINC000776601997	582084219	/nfs/dbraw/zinc/08/42/19/582084219.db2.gz	MSHRTYHDDAKZJU-RYUDHWBXSA-N	-1	0	299.348	0.669	20	30		CCEDRM
C=CCCS(=O)(=O)N[C@H](C(=O)[O-])[C@H](O)c1ccccc1	ZINC000776601996	582084644	/nfs/dbraw/zinc/08/46/44/582084644.db2.gz	MSHRTYHDDAKZJU-NWDGAFQWSA-N	-1	0	299.348	0.669	20	30		CCEDRM
C#Cc1ccc(C(=O)N2CCC[C@H](c3nnn[n-]3)C2)cn1	ZINC000765109435	582089832	/nfs/dbraw/zinc/08/98/32/582089832.db2.gz	KMKJHYZGSRZGSB-NSHDSACASA-N	-1	0	282.307	0.596	20	30		CCEDRM
N#CCN(CC(=O)[O-])C(=O)c1cc(F)cc2nc[nH]c21	ZINC000739078556	582101493	/nfs/dbraw/zinc/10/14/93/582101493.db2.gz	JQDWIPAPIZQAGA-UHFFFAOYSA-N	-1	0	276.227	0.752	20	30		CCEDRM
N#CCNC(=O)COc1ccc(C(=O)[O-])cc1C=O	ZINC000739086655	582101777	/nfs/dbraw/zinc/10/17/77/582101777.db2.gz	BMKLKWOQJYPKBQ-UHFFFAOYSA-N	-1	0	262.221	0.216	20	30		CCEDRM
N#CCNC(=O)COC(=O)c1cccc(NC(=O)[O-])c1	ZINC000739085946	582101787	/nfs/dbraw/zinc/10/17/87/582101787.db2.gz	LUHHPBDZVQRYOC-UHFFFAOYSA-N	-1	0	277.236	0.573	20	30		CCEDRM
N#CCN(CC(=O)[O-])C(=O)c1cn2ccccc2n1	ZINC000739085502	582101839	/nfs/dbraw/zinc/10/18/39/582101839.db2.gz	ATABZOGYAWIFPO-UHFFFAOYSA-N	-1	0	258.237	0.385	20	30		CCEDRM
N#CCN(CC(=O)[O-])S(=O)(=O)Cc1cccc(C#N)c1	ZINC000739085980	582101914	/nfs/dbraw/zinc/10/19/14/582101914.db2.gz	MLWIDSMVYLRDOE-UHFFFAOYSA-N	-1	0	293.304	0.298	20	30		CCEDRM
O=C([O-])Cn1cc(C=Nn2cnc3ccccc32)nn1	ZINC000768482679	582107358	/nfs/dbraw/zinc/10/73/58/582107358.db2.gz	MGDZIWVFSHXMLN-UHFFFAOYSA-N	-1	0	270.252	0.595	20	30		CCEDRM
C=C(Br)CNC(=O)[C@@H](C)O[C@H](C)C(=O)[O-]	ZINC000872915029	613237442	/nfs/dbraw/zinc/23/74/42/613237442.db2.gz	WLANNFSKMQGMOJ-RNFRBKRXSA-N	-1	0	280.118	0.889	20	30		CCEDRM
C=C(Br)CNC(=O)[C@H](C)O[C@H](C)C(=O)[O-]	ZINC000872915028	613238062	/nfs/dbraw/zinc/23/80/62/613238062.db2.gz	WLANNFSKMQGMOJ-NKWVEPMBSA-N	-1	0	280.118	0.889	20	30		CCEDRM
C#CCCCNC(=O)C[C@H]1CN(C(=O)[O-])CCO1	ZINC000823445273	612981231	/nfs/dbraw/zinc/98/12/31/612981231.db2.gz	XDJDPMNMQQKNNQ-JTQLQIEISA-N	-1	0	254.286	0.285	20	30		CCEDRM
N#C[C@H]1CN(C(=O)NCCCCCC(=O)[O-])CCO1	ZINC000093937492	597302848	/nfs/dbraw/zinc/30/28/48/597302848.db2.gz	UCHAUCCETHNFEW-JTQLQIEISA-N	-1	0	269.301	0.565	20	30		CCEDRM
C#CCOCCNC(=O)NC1CCN(C(=O)[O-])CC1	ZINC000833366161	612986786	/nfs/dbraw/zinc/98/67/86/612986786.db2.gz	JGISTFSYWCIWPT-UHFFFAOYSA-N	-1	0	269.301	0.078	20	30		CCEDRM
C[C@](C#N)(CC(=O)[O-])C(=O)NCc1cccc(F)n1	ZINC000819842576	597603411	/nfs/dbraw/zinc/60/34/11/597603411.db2.gz	RSGIWLOGCBJCKY-GFCCVEGCSA-N	-1	0	265.244	0.841	20	30		CCEDRM
C[C@](C#N)(CC(=O)[O-])C(=O)OCCn1ccnc1	ZINC000819875533	597618461	/nfs/dbraw/zinc/61/84/61/597618461.db2.gz	YKMLASLLKNASHL-LLVKDONJSA-N	-1	0	251.242	0.431	20	30		CCEDRM
C[C@@](C#N)(CC(=O)[O-])C(=O)NC[C@H](O)c1ccccc1	ZINC000819834307	597629993	/nfs/dbraw/zinc/62/99/93/597629993.db2.gz	MYJOAACYVAHIDL-FZMZJTMJSA-N	-1	0	276.292	0.841	20	30		CCEDRM
C[C@@](C#N)(CC(=O)[O-])C(=O)NCCOC[C@H]1CCOC1	ZINC000819843138	597645754	/nfs/dbraw/zinc/64/57/54/597645754.db2.gz	YLSJPRXDTWDELC-GWCFXTLKSA-N	-1	0	284.312	0.160	20	30		CCEDRM
C[C@](C#N)(CC(=O)[O-])C(=O)NCc1ccn2ccnc2c1	ZINC000819847038	597656477	/nfs/dbraw/zinc/65/64/77/597656477.db2.gz	JLINVDKTSXMNRD-CQSZACIVSA-N	-1	0	286.291	0.955	20	30		CCEDRM
C[C@H](O)[C@H]1CCN(C(=O)[C@@](C)(C#N)CC(=O)[O-])C1	ZINC000820154103	597664007	/nfs/dbraw/zinc/66/40/07/597664007.db2.gz	GCEGAZDQMHNIBB-HOTUBEGUSA-N	-1	0	254.286	0.220	20	30		CCEDRM
C[C@@](C#N)(CC(=O)[O-])C(=O)NC[C@@H]1CC(=O)N(C2CC2)C1	ZINC000819835661	597664368	/nfs/dbraw/zinc/66/43/68/597664368.db2.gz	WRCHWCNBNYRWDJ-XPTSAGLGSA-N	-1	0	293.323	0.118	20	30		CCEDRM
N#Cc1ccc([C@H](O)C(=O)N2CC[C@H](C(=O)[O-])C2)cc1	ZINC000821329547	597668730	/nfs/dbraw/zinc/66/87/30/597668730.db2.gz	ASCMPLMOUUHNQN-RYUDHWBXSA-N	-1	0	274.276	0.525	20	30		CCEDRM
N#Cc1c(F)cccc1OCC(=O)NCC(=O)[O-]	ZINC000821324663	597757943	/nfs/dbraw/zinc/75/79/43/597757943.db2.gz	KWPOVKLQWHBDJN-UHFFFAOYSA-N	-1	0	252.201	0.277	20	30		CCEDRM
C[C@]1(C#N)CCCN(C(=O)CSCC(=O)[O-])C1	ZINC000820200003	597819028	/nfs/dbraw/zinc/81/90/28/597819028.db2.gz	SHLKDVOISPACES-LLVKDONJSA-N	-1	0	256.327	0.956	20	30		CCEDRM
C[C@H](C(=O)NC1(C#N)CCCCC1)N(C)CC(=O)[O-]	ZINC000819882616	598042244	/nfs/dbraw/zinc/04/22/44/598042244.db2.gz	AEYBFAGXYCSKAM-SNVBAGLBSA-N	-1	0	267.329	0.734	20	30		CCEDRM
Cc1nc2n(n1)C[C@H](NC(=O)[C@@](C)(C#N)CC(=O)[O-])CC2	ZINC000821181834	598226448	/nfs/dbraw/zinc/22/64/48/598226448.db2.gz	MAOSXWMBKVVDPV-NOZJJQNGSA-N	-1	0	291.311	0.022	20	30		CCEDRM
C[C@](C#N)(CC(=O)[O-])C(=O)NC[C@@]1(C)CCOC1	ZINC000820214965	598227474	/nfs/dbraw/zinc/22/74/74/598227474.db2.gz	MUNBZZUDIMIXST-VXGBXAGGSA-N	-1	0	254.286	0.534	20	30		CCEDRM
C[C@@](C#N)(CC(=O)[O-])C(=O)NCc1nc(C2CC2)no1	ZINC000819846775	598228674	/nfs/dbraw/zinc/22/86/74/598228674.db2.gz	GKENRGAINDKZGU-LBPRGKRZSA-N	-1	0	278.268	0.568	20	30		CCEDRM
C[C@H](CO[C@H]1CCOC1)NC(=O)[C@@](C)(C#N)CC(=O)[O-]	ZINC000820101721	598229977	/nfs/dbraw/zinc/22/99/77/598229977.db2.gz	CANJUFQWKRSSKL-GBIKHYSHSA-N	-1	0	284.312	0.301	20	30		CCEDRM
C#CCO[N-]C(=O)[C@@H](O)[C@@H](C)c1ccccc1F	ZINC000869254528	612992271	/nfs/dbraw/zinc/99/22/71/612992271.db2.gz	QNOCSHFBPVIVKJ-CABZTGNLSA-N	-1	0	251.257	0.971	20	30		CCEDRM
C#CCO[C@H](C)C(=O)N(CC(=O)[O-])C1CCOCC1	ZINC000909023301	612998820	/nfs/dbraw/zinc/99/88/20/612998820.db2.gz	XPPIMYWEGXHWPD-SNVBAGLBSA-N	-1	0	269.297	0.117	20	30		CCEDRM
C#CCO[C@H](C)C(=O)NCc1ccoc1C(=O)[O-]	ZINC000909961088	613002108	/nfs/dbraw/zinc/00/21/08/613002108.db2.gz	AADUVDBWXLZRQI-MRVPVSSYSA-N	-1	0	251.238	0.632	20	30		CCEDRM
C#CCO[C@H](C)C(=O)N[C@H]1CCC[C@]1(C)C(=O)[O-]	ZINC000909993555	613003337	/nfs/dbraw/zinc/00/33/37/613003337.db2.gz	OFBMPNFNWXEVIX-NRUUGDAUSA-N	-1	0	253.298	0.784	20	30		CCEDRM
C#CCO[C@H](C)C(=O)NCc1nc(C)c(C(=O)[O-])s1	ZINC000909502582	613002270	/nfs/dbraw/zinc/00/22/70/613002270.db2.gz	SITSCAXERFAFTD-MRVPVSSYSA-N	-1	0	282.321	0.804	20	30		CCEDRM
N#Cc1ccccc1Cn1nc(C(=O)[O-])ccc1=O	ZINC000229617377	600516493	/nfs/dbraw/zinc/51/64/93/600516493.db2.gz	HSQRYNUFFQPYHS-UHFFFAOYSA-N	-1	0	255.233	0.861	20	30		CCEDRM
COC(=O)c1cc(C#N)c(=O)n(C/C=C(\C)C(=O)[O-])c1	ZINC000831235624	600727655	/nfs/dbraw/zinc/72/76/55/600727655.db2.gz	AIQSCPVKBMOPKU-FPYGCLRLSA-N	-1	0	276.248	0.537	20	30		CCEDRM
CCN(CCC#N)S(=O)(=O)c1c[nH]c(C(=O)[O-])c1	ZINC000037838826	600739057	/nfs/dbraw/zinc/73/90/57/600739057.db2.gz	JGTHJVDXPAJSOH-UHFFFAOYSA-N	-1	0	271.298	0.637	20	30		CCEDRM
N#CCN(CC(=O)[O-])S(=O)(=O)c1ccccc1[N+](=O)[O-]	ZINC000586175109	600763961	/nfs/dbraw/zinc/76/39/61/600763961.db2.gz	QYMWPPSURGTQTD-UHFFFAOYSA-N	-1	0	299.264	0.194	20	30		CCEDRM
C#CCN(CC#CC)CC(=O)N[C@H](CC(C)C)C(=O)[O-]	ZINC000825614005	600836521	/nfs/dbraw/zinc/83/65/21/600836521.db2.gz	ANVPSPDSWIDKLX-CYBMUJFWSA-N	-1	0	278.352	0.560	20	30		CCEDRM
Cc1ccccc1NC(=O)CN(CC#N)CC(=O)[O-]	ZINC000832979285	601002222	/nfs/dbraw/zinc/00/22/22/601002222.db2.gz	ZIMUGOBDNOPGLX-UHFFFAOYSA-N	-1	0	261.281	0.844	20	30		CCEDRM
N#CCN(CC(=O)[O-])CC(=O)NCc1ccccc1	ZINC000833066833	601002909	/nfs/dbraw/zinc/00/29/09/601002909.db2.gz	KDYLULUZUVLGSX-UHFFFAOYSA-N	-1	0	261.281	0.213	20	30		CCEDRM
Cc1ccc2nc(CN(CC#N)CC(=O)[O-])cc(=O)n2c1	ZINC000832959960	601003444	/nfs/dbraw/zinc/00/34/44/601003444.db2.gz	LNGHWAWPJLSDFK-UHFFFAOYSA-N	-1	0	286.291	0.413	20	30		CCEDRM
N#CCN(CCc1nc2ccccc2c(=O)[nH]1)CC(=O)[O-]	ZINC000833067506	601005253	/nfs/dbraw/zinc/00/52/53/601005253.db2.gz	WLHLQCQKQIGJQW-UHFFFAOYSA-N	-1	0	286.291	0.788	20	30		CCEDRM
N#CCN(CC(=O)[O-])CC(=O)N1CCO[C@H]2CCCC[C@@H]21	ZINC000833066086	601006495	/nfs/dbraw/zinc/00/64/95/601006495.db2.gz	NMZLMJGERTYZGY-RYUDHWBXSA-N	-1	0	295.339	0.067	20	30		CCEDRM
N#CCN(CCC(=O)Nc1sccc1C#N)CC(=O)[O-]	ZINC000833066547	601226376	/nfs/dbraw/zinc/22/63/76/601226376.db2.gz	ATGVBXOUEJAEFY-UHFFFAOYSA-N	-1	0	292.320	0.859	20	30		CCEDRM
Cc1nn(C)c(Cl)c1CN(CC#N)CC(=O)[O-]	ZINC000833014392	601242309	/nfs/dbraw/zinc/24/23/09/601242309.db2.gz	NTYDVLQVIWOGGU-UHFFFAOYSA-N	-1	0	256.693	0.792	20	30		CCEDRM
C[C@@H](CS(=O)(=O)N(CCC#N)CC1CC1)C(=O)[O-]	ZINC000827534367	601275821	/nfs/dbraw/zinc/27/58/21/601275821.db2.gz	VYHPPSHACRJZLX-VIFPVBQESA-N	-1	0	274.342	0.663	20	30		CCEDRM
N#CCN1CCC(CNC(=O)[C@H]2C[C@@H]2C(=O)[O-])CC1	ZINC000833067485	601439168	/nfs/dbraw/zinc/43/91/68/601439168.db2.gz	VSTBKZYIJUIFOL-QWRGUYRKSA-N	-1	0	265.313	0.059	20	30		CCEDRM
N#C[C@H]1CCC[C@H]1NS(=O)(=O)c1c[nH]c(C(=O)[O-])c1	ZINC000061890070	601476685	/nfs/dbraw/zinc/47/66/85/601476685.db2.gz	BBVVPZKHEDGVCY-VXNVDRBHSA-N	-1	0	283.309	0.683	20	30		CCEDRM
C=CCSCCNS(=O)(=O)C[C@H](C)C(=O)[O-]	ZINC000825702291	601782237	/nfs/dbraw/zinc/78/22/37/601782237.db2.gz	IGYUMRWAWSGTCO-QMMMGPOBSA-N	-1	0	267.372	0.546	20	30		CCEDRM
C#CC1(F)CN(C(=O)[C@@H]([N-]C(=O)C(F)(F)F)C(C)C)C1	ZINC000881939742	612948724	/nfs/dbraw/zinc/94/87/24/612948724.db2.gz	OUTNEDRZHNNIJC-QMMMGPOBSA-N	-1	0	294.248	0.873	20	30		CCEDRM
N#CCNS(=O)(=O)c1ccc(/C=C\C(=O)[O-])cc1	ZINC000103519617	602153874	/nfs/dbraw/zinc/15/38/74/602153874.db2.gz	PJCDUTMXEZDUKF-UTCJRWHESA-N	-1	0	266.278	0.586	20	30		CCEDRM
N#CCNS(=O)(=O)c1cc(C(=O)[O-])ccc1F	ZINC000040605464	602153960	/nfs/dbraw/zinc/15/39/60/602153960.db2.gz	AZRBGUJVHZPBMG-UHFFFAOYSA-N	-1	0	258.230	0.326	20	30		CCEDRM
C[C@H](CC(=O)[O-])C(=O)Nc1ccn(CCC#N)n1	ZINC000827317405	602166199	/nfs/dbraw/zinc/16/61/99/602166199.db2.gz	LXEAZBJIBVKRLH-MRVPVSSYSA-N	-1	0	250.258	0.846	20	30		CCEDRM
Cc1ncc(CO)c(/C=N\[C@H]2CCN(C(=O)[O-])C2)c1O	ZINC000740232592	602457248	/nfs/dbraw/zinc/45/72/48/602457248.db2.gz	QHBIZISGBDYOPJ-QNTAQTHUSA-N	-1	0	279.296	0.759	20	30		CCEDRM
C#CCNC(=O)[C@H](C)OC(=O)CC(C)(C)CC(=O)[O-]	ZINC000833365490	612950648	/nfs/dbraw/zinc/95/06/48/612950648.db2.gz	KRGKDUPGGYNLBU-VIFPVBQESA-N	-1	0	269.297	0.559	20	30		CCEDRM
C[C@H]1CN(c2nccnc2C#N)CC[C@H]1NC(=O)[O-]	ZINC000739195288	603403615	/nfs/dbraw/zinc/40/36/15/603403615.db2.gz	BZYXPFCLQQXYPU-DTWKUNHWSA-N	-1	0	261.285	0.831	20	30		CCEDRM
C[C@@H]1CN(C(=O)c2cc(C#N)cn2C)CCN1C(=O)[O-]	ZINC000826035159	603543991	/nfs/dbraw/zinc/54/39/91/603543991.db2.gz	QABRQQOKMLWWTL-SECBINFHSA-N	-1	0	276.296	0.721	20	30		CCEDRM
C#CCNC(=O)[C@H](C)OC(=O)[C@H]1CCC[C@@H](NC(=O)[O-])C1	ZINC000823455560	612951298	/nfs/dbraw/zinc/95/12/98/612951298.db2.gz	DWIDVQDESHFFDO-GARJFASQSA-N	-1	0	296.323	0.494	20	30		CCEDRM
C[C@@H](CC#N)N(C)CN1C[C@H]2CN(C(=O)[O-])CCN2C1=O	ZINC000824544484	603601963	/nfs/dbraw/zinc/60/19/63/603601963.db2.gz	QSIPADNSKZRWTP-WDEREUQCSA-N	-1	0	295.343	0.278	20	30		CCEDRM
C[C@H](CC#N)N(C)CN1C[C@H]2CN(C(=O)[O-])CCN2C1=O	ZINC000824544481	603602063	/nfs/dbraw/zinc/60/20/63/603602063.db2.gz	QSIPADNSKZRWTP-GHMZBOCLSA-N	-1	0	295.343	0.278	20	30		CCEDRM
C[C@H](CC#N)NC(=O)[C@H]1[C@H](C)OC(C)(C)N1C(=O)[O-]	ZINC000824545041	603707880	/nfs/dbraw/zinc/70/78/80/603707880.db2.gz	UKXZEFYZJVVUDC-HRDYMLBCSA-N	-1	0	269.301	0.908	20	30		CCEDRM
C[C@@H](NC(=O)C(=O)Nc1ccc(Cl)c(C#N)c1)C(=O)[O-]	ZINC000818017709	617182367	/nfs/dbraw/zinc/18/23/67/617182367.db2.gz	DNZLZPNEHXQECY-ZCFIWIBFSA-N	-1	0	295.682	0.739	20	30		CCEDRM
C[C@@]1(C(=O)N2CCN(CC#N)CC2)CCN(C(=O)[O-])C1	ZINC000825656790	603949040	/nfs/dbraw/zinc/94/90/40/603949040.db2.gz	LJWSPCAHGILACR-CYBMUJFWSA-N	-1	0	280.328	0.044	20	30		CCEDRM
C#CCNC(=O)c1ccc(N(CC(=O)[O-])CC2CC2)nc1	ZINC000900970743	612951992	/nfs/dbraw/zinc/95/19/92/612951992.db2.gz	OPXLGBQPYORTTG-UHFFFAOYSA-N	-1	0	287.319	0.746	20	30		CCEDRM
N#C[C@H]1CN(C(=O)[O-])CCN1C(=O)C1=COCCC1	ZINC000831076268	604071405	/nfs/dbraw/zinc/07/14/05/604071405.db2.gz	IVUMGHAEOZKWTL-JTQLQIEISA-N	-1	0	265.269	0.395	20	30		CCEDRM
N#C[C@@H]1CN(C(=O)[O-])CCN1C(=O)CC[C@H]1CCOC1	ZINC000831082693	604071343	/nfs/dbraw/zinc/07/13/43/604071343.db2.gz	OPGZLGDGGOIORF-WDEREUQCSA-N	-1	0	281.312	0.517	20	30		CCEDRM
Cn1cc(/C=C\C(=O)N2CCN(C(=O)[O-])C[C@@H]2C#N)cn1	ZINC000830999669	604078327	/nfs/dbraw/zinc/07/83/27/604078327.db2.gz	LBSYRVQIGHPROI-QUCGXOGASA-N	-1	0	289.295	0.148	20	30		CCEDRM
C[C@H](CN(C)C(=O)[O-])C(=O)N(CCC#N)CCC#N	ZINC000824822836	604114410	/nfs/dbraw/zinc/11/44/10/604114410.db2.gz	CBGUTZQNRWPBMM-SNVBAGLBSA-N	-1	0	266.301	0.888	20	30		CCEDRM
N#C[C@@H]1CN(C(=O)[O-])CCN1C(=O)c1csc(C=O)c1	ZINC000831091588	604153673	/nfs/dbraw/zinc/15/36/73/604153673.db2.gz	IHQRUIZXSYNRCS-SECBINFHSA-N	-1	0	293.304	0.889	20	30		CCEDRM
N#Cc1cnn(C(=O)CC2(NC(=O)[O-])CCC2)c1N	ZINC000831162235	604219511	/nfs/dbraw/zinc/21/95/11/604219511.db2.gz	YTNXWRRYPKIYDO-UHFFFAOYSA-N	-1	0	263.257	0.558	20	30		CCEDRM
CC(C)(C)[C@H](C#N)NS(=O)(=O)c1ccc(C(=O)[O-])nc1	ZINC000833423654	604700767	/nfs/dbraw/zinc/70/07/67/604700767.db2.gz	OMWKZAWYXGOBPI-JTQLQIEISA-N	-1	0	297.336	0.996	20	30		CCEDRM
N#Cc1cc(F)c(C(=O)NC2CN(C(=O)[O-])C2)c(F)c1	ZINC000831114774	604761930	/nfs/dbraw/zinc/76/19/30/604761930.db2.gz	VABFGWYQMQKATL-UHFFFAOYSA-N	-1	0	281.218	0.928	20	30		CCEDRM
COC(=O)c1ccccc1CC(=O)N(CC#N)CC(=O)[O-]	ZINC000833717134	604788111	/nfs/dbraw/zinc/78/81/11/604788111.db2.gz	VLXDAEXXSLDUGK-UHFFFAOYSA-N	-1	0	290.275	0.452	20	30		CCEDRM
N#CCn1cc(NC(=O)C[C@@H]2CN(C(=O)[O-])CCO2)cn1	ZINC000831109041	604789310	/nfs/dbraw/zinc/78/93/10/604789310.db2.gz	ADWRCMKVLZRTRM-SNVBAGLBSA-N	-1	0	293.283	0.114	20	30		CCEDRM
N#CCCN(CC1CC1)C(=O)[C@@H]1CN(C(=O)[O-])CCO1	ZINC000831097058	604832983	/nfs/dbraw/zinc/83/29/83/604832983.db2.gz	CRPJWLJTULWHSR-NSHDSACASA-N	-1	0	281.312	0.517	20	30		CCEDRM
C#CC[C@@H](NC(=O)[C@@H]1C[C@H]1c1cccnc1)C(=O)[O-]	ZINC000910050818	613040949	/nfs/dbraw/zinc/04/09/49/613040949.db2.gz	OHPCTJCDHJEJNN-QJPTWQEYSA-N	-1	0	258.277	0.778	20	30		CCEDRM
N#C[C@H]1CN(C(=O)c2ccc(C(=O)[O-])c(F)c2)CCO1	ZINC000833062938	604998296	/nfs/dbraw/zinc/99/82/96/604998296.db2.gz	RIPWVMYIXWQGMQ-VIFPVBQESA-N	-1	0	278.239	0.888	20	30		CCEDRM
Cn1cc(C#N)cc1C(=O)N1CCC[C@H]1CC(=O)[O-]	ZINC000833040337	605012835	/nfs/dbraw/zinc/01/28/35/605012835.db2.gz	AYTIZZKLKRGXJV-JTQLQIEISA-N	-1	0	261.281	0.976	20	30		CCEDRM
C[C@H](C(=O)[O-])n1cccc1C=NN[C@@H]1CCS(=O)(=O)C1	ZINC000833406049	605036920	/nfs/dbraw/zinc/03/69/20/605036920.db2.gz	KWFJCWKGQYQZOJ-NXEZZACHSA-N	-1	0	299.352	0.244	20	30		CCEDRM
C[C@@H](NS(=O)(=O)c1cccc(F)c1C#N)C(=O)[O-]	ZINC000070393943	605047582	/nfs/dbraw/zinc/04/75/82/605047582.db2.gz	YDQAXMOXIZHEGD-ZCFIWIBFSA-N	-1	0	272.257	0.449	20	30		CCEDRM
C=CCNC(=O)CNC(=O)NCc1ccc(C(=O)[O-])cc1	ZINC000393804960	605209555	/nfs/dbraw/zinc/20/95/55/605209555.db2.gz	VVJYJBGAUYTIGJ-UHFFFAOYSA-N	-1	0	291.307	0.486	20	30		CCEDRM
N#C[C@@H]1CCC[C@@H]1NC(=O)CCOC1CN(C(=O)[O-])C1	ZINC000833963914	605309733	/nfs/dbraw/zinc/30/97/33/605309733.db2.gz	WJPOPENHCXNYHD-ONGXEEELSA-N	-1	0	281.312	0.564	20	30		CCEDRM
N#Cc1cc(NC(=O)CNC(=O)CNC(=O)[O-])ccc1F	ZINC000833975384	605341771	/nfs/dbraw/zinc/34/17/71/605341771.db2.gz	XAKLSACZJAIDNJ-UHFFFAOYSA-N	-1	0	294.242	0.020	20	30		CCEDRM
C[C@@H](NC(=O)[O-])[C@@H]1CN(c2ccc(C#N)nn2)CCO1	ZINC000833820498	605417523	/nfs/dbraw/zinc/41/75/23/605417523.db2.gz	RUBFGFKWBHPRFP-SCZZXKLOSA-N	-1	0	277.284	0.210	20	30		CCEDRM
N#CCN(CC#N)C(=O)CC[C@@H]1CCCN1C(=O)[O-]	ZINC000833967668	605444917	/nfs/dbraw/zinc/44/49/17/605444917.db2.gz	SNZHIAYEFXGUFC-JTQLQIEISA-N	-1	0	264.285	0.785	20	30		CCEDRM
N#C[C@H]1CN(C(=O)CC[C@@H]2CCCN2C(=O)[O-])CCO1	ZINC000833967980	605458524	/nfs/dbraw/zinc/45/85/24/605458524.db2.gz	SZDRDUUAJQCZEM-QWRGUYRKSA-N	-1	0	281.312	0.660	20	30		CCEDRM
C[C@H](C#N)C(=O)N(C1CC1)[C@H]1CCN(C(=O)[O-])C1	ZINC000823646343	605461238	/nfs/dbraw/zinc/46/12/38/605461238.db2.gz	AGWHVPVHXYRENJ-SCZZXKLOSA-N	-1	0	251.286	0.889	20	30		CCEDRM
N#CCN1CCN(C(=O)CC[C@H]2CCN(C(=O)[O-])C2)CC1	ZINC000833968141	605475854	/nfs/dbraw/zinc/47/58/54/605475854.db2.gz	XNLDWLYVZSXELC-LBPRGKRZSA-N	-1	0	294.355	0.434	20	30		CCEDRM
N#C[C@@H]1CN(C(=O)[O-])C[C@@H]1NC[C@@H](O)Cc1ccccc1	ZINC000833965573	605673671	/nfs/dbraw/zinc/67/36/71/605673671.db2.gz	BWWGJMRULBZMKJ-RDBSUJKOSA-N	-1	0	289.335	0.682	20	30		CCEDRM
N#C[C@@H]1CN(C(=O)[O-])C[C@@H]1NC[C@H](O)c1cccc(F)c1	ZINC000833966539	605685502	/nfs/dbraw/zinc/68/55/02/605685502.db2.gz	LSHNAQSIGHLIOZ-WXHSDQCUSA-N	-1	0	293.298	0.951	20	30		CCEDRM
Cc1onc(CC(=O)N[C@@H](C)CCNC(=O)[O-])c1C#N	ZINC000833934828	605699462	/nfs/dbraw/zinc/69/94/62/605699462.db2.gz	CKHCAYQFKXOYMH-ZETCQYMHSA-N	-1	0	280.284	0.560	20	30		CCEDRM
C[C@H]1C[C@@H](NC(=O)[O-])CCN1C(=O)CSCC#N	ZINC000825811095	605751491	/nfs/dbraw/zinc/75/14/91/605751491.db2.gz	ZIDWMSOULISWHC-IUCAKERBSA-N	-1	0	271.342	0.890	20	30		CCEDRM
N#CC1(C(=O)NCC2CN(C(=O)[O-])C2)CCCC1	ZINC000833964686	605752398	/nfs/dbraw/zinc/75/23/98/605752398.db2.gz	NKPIMJWCERCYHH-UHFFFAOYSA-N	-1	0	251.286	0.796	20	30		CCEDRM
NC(=O)CON=C1CCC[C@@H]1[C@@H]1CCCN1C(=O)[O-]	ZINC000833984359	605754834	/nfs/dbraw/zinc/75/48/34/605754834.db2.gz	DSOMCMLTDQQVSB-WPRPVWTQSA-N	-1	0	269.301	0.787	20	30		CCEDRM
C[C@]1(C(=O)[O-])CCN(C(=O)[C@@H](O)c2ccc(C#N)cc2)C1	ZINC000833554358	605757944	/nfs/dbraw/zinc/75/79/44/605757944.db2.gz	WHUDBUPAYVQKMF-WFASDCNBSA-N	-1	0	288.303	0.915	20	30		CCEDRM
N#CC1(COC(=O)[C@@H]2CCCN2C(=O)[O-])CCOCC1	ZINC000833964828	605782071	/nfs/dbraw/zinc/78/20/71/605782071.db2.gz	QZSLMMAOBQWMGQ-JTQLQIEISA-N	-1	0	282.296	0.992	20	30		CCEDRM
N#CC1(COC(=O)C2(NC(=O)[O-])CC2)CCOCC1	ZINC000833965025	605782227	/nfs/dbraw/zinc/78/22/27/605782227.db2.gz	XSZOHZHRONYORV-UHFFFAOYSA-N	-1	0	268.269	0.650	20	30		CCEDRM
N#Cc1ccc([C@@H](O)C(=O)NC2CN(C(=O)[O-])C2)cc1	ZINC000833972403	605838305	/nfs/dbraw/zinc/83/83/05/605838305.db2.gz	CQSHEAYTHWTTNJ-LLVKDONJSA-N	-1	0	275.264	0.070	20	30		CCEDRM
N#CC1CCN(C(=O)NC[C@@H](NC(=O)[O-])C2CC2)CC1	ZINC000833968151	605848467	/nfs/dbraw/zinc/84/84/67/605848467.db2.gz	UNJZYPSHOUIGQB-LLVKDONJSA-N	-1	0	280.328	0.978	20	30		CCEDRM
C=CCNC(=O)NC(=O)CN1CCCCC[C@@H]1C(=O)[O-]	ZINC000080992809	605852503	/nfs/dbraw/zinc/85/25/03/605852503.db2.gz	LQGQOXYAQBRFQD-SNVBAGLBSA-N	-1	0	283.328	0.327	20	30		CCEDRM
N#CCN1CCC(OC(=O)CCCCNC(=O)[O-])CC1	ZINC000833966254	605911639	/nfs/dbraw/zinc/91/16/39/605911639.db2.gz	CVVMDQFKCMAGCA-UHFFFAOYSA-N	-1	0	283.328	0.955	20	30		CCEDRM
N#CC1(NC(=O)[C@@H]2CC23CCN(C(=O)[O-])CC3)CC1	ZINC000833964681	605964078	/nfs/dbraw/zinc/96/40/78/605964078.db2.gz	NJXFZTZHJDOAIV-VIFPVBQESA-N	-1	0	263.297	0.939	20	30		CCEDRM
N#C[C@@H]1CSCCN1C(=O)C[C@H]1CCCN1C(=O)[O-]	ZINC000833967441	605978665	/nfs/dbraw/zinc/97/86/65/605978665.db2.gz	RBECERNSYCPSTD-NXEZZACHSA-N	-1	0	283.353	0.986	20	30		CCEDRM
N#CC1(NC(=O)[C@H](CC(F)F)NC(=O)[O-])CCC1	ZINC000833965079	606022828	/nfs/dbraw/zinc/02/28/28/606022828.db2.gz	YTICSHWKMOGSRZ-LURJTMIESA-N	-1	0	261.228	0.840	20	30		CCEDRM
N#CC1(NC(=O)[C@H](CC(F)F)NC(=O)[O-])CCOCC1	ZINC000833964045	606050529	/nfs/dbraw/zinc/05/05/29/606050529.db2.gz	BQEZEECLHLALKS-ZETCQYMHSA-N	-1	0	291.254	0.467	20	30		CCEDRM
C#CCCS(=O)(=O)[N-]C(=O)C[C@@H](C)n1ccc(C)n1	ZINC000851000475	613052903	/nfs/dbraw/zinc/05/29/03/613052903.db2.gz	UFTADXRGDBNOKU-LLVKDONJSA-N	-1	0	283.353	0.612	20	30		CCEDRM
C#CCCS(=O)(=O)[N-]C(=O)C[C@@H](C)[C@H]1CCCO1	ZINC000851000583	613052918	/nfs/dbraw/zinc/05/29/18/613052918.db2.gz	XCTCEDJNSVZLBZ-GHMZBOCLSA-N	-1	0	273.354	0.661	20	30		CCEDRM
C#CCCS(=O)(=O)[N-]C(=O)[C@H]1CCOC[C@H]1C	ZINC000810780086	613053302	/nfs/dbraw/zinc/05/33/02/613053302.db2.gz	MPDIYFLWXJQBMD-ZJUUUORDSA-N	-1	0	259.327	0.128	20	30		CCEDRM
C#CCCS(=O)(=O)[N-]C(=O)[C@@H]1CCCCS1	ZINC000810781700	613053222	/nfs/dbraw/zinc/05/32/22/613053222.db2.gz	AHLLXVSQTIVNAJ-VIFPVBQESA-N	-1	0	261.368	0.741	20	30		CCEDRM
C#CCN(CC(=O)[O-])S(=O)(=O)c1ccc(OC)cc1C	ZINC000849219126	613103444	/nfs/dbraw/zinc/10/34/44/613103444.db2.gz	IXMUDMZZDZSTNT-UHFFFAOYSA-N	-1	0	297.332	0.712	20	30		CCEDRM
C#CCN(CC)C(=O)c1ccc([N-]S(C)(=O)=O)nc1	ZINC000858748099	613106765	/nfs/dbraw/zinc/10/67/65/613106765.db2.gz	NVZWZZUCXIUUNE-UHFFFAOYSA-N	-1	0	281.337	0.548	20	30		CCEDRM
C=CCC(F)(F)C(=O)[N-]OCCN1CCCC1=O	ZINC000856043620	613454841	/nfs/dbraw/zinc/45/48/41/613454841.db2.gz	IAFAWTCFUIXLSF-UHFFFAOYSA-N	-1	0	262.256	0.868	20	30		CCEDRM
CC(C)(C)[S@@](=O)CCNC(=O)[C@](C)(C#N)CC(=O)[O-]	ZINC000819841935	614044100	/nfs/dbraw/zinc/04/41/00/614044100.db2.gz	HFYHDUFKNXWDEQ-BUXKBTBVSA-N	-1	0	288.369	0.654	20	30		CCEDRM
C#CCCCCC(=O)NCC(=O)N[C@@H](CC(C)C)C(=O)[O-]	ZINC000909591983	612975835	/nfs/dbraw/zinc/97/58/35/612975835.db2.gz	BRIBTMKHTLAVBJ-LBPRGKRZSA-N	-1	0	296.367	0.912	20	30		CCEDRM
CC(C)[C@H](O)C1(CNC(=O)[C@](C)(C#N)CC(=O)[O-])CC1	ZINC000819962908	614254026	/nfs/dbraw/zinc/25/40/26/614254026.db2.gz	XWLFZBBUFYIAMX-AAEUAGOBSA-N	-1	0	282.340	0.904	20	30		CCEDRM
CSC[C@@H](C)C(=O)[N-]S(=O)(=O)c1cncc(C#N)c1	ZINC000813984342	617247871	/nfs/dbraw/zinc/24/78/71/617247871.db2.gz	PXPBKRMIFKXEAM-MRVPVSSYSA-N	-1	0	299.377	0.757	20	30		CCEDRM
C[C@@H](C#N)C(=O)NC1C[C@H]2CC[C@@H](C1)N2C(=O)[O-]	ZINC000823648276	617295270	/nfs/dbraw/zinc/29/52/70/617295270.db2.gz	SCAJKTJMTBKIJC-BFARCFIYSA-N	-1	0	251.286	0.936	20	30		CCEDRM
C[C@@H](C#N)OC(=O)C[C@@H]1CSCCN1C(=O)[O-]	ZINC000823648455	617296697	/nfs/dbraw/zinc/29/66/97/617296697.db2.gz	SQFMKGXWGGZCMV-JGVFFNPUSA-N	-1	0	258.299	0.927	20	30		CCEDRM
C#CC1(O)CN(C(=O)c2cc(F)cc(F)c2[O-])C1	ZINC000890528484	612959142	/nfs/dbraw/zinc/95/91/42/612959142.db2.gz	LWSVQEIFQLELED-UHFFFAOYSA-N	-1	0	253.204	0.491	20	30		CCEDRM
C#CCCCCNC(=O)C(=O)NCC(CC)(CC)C(=O)[O-]	ZINC000818656408	612977205	/nfs/dbraw/zinc/97/72/05/612977205.db2.gz	FQACEIBFICPJOJ-UHFFFAOYSA-N	-1	0	296.367	0.913	20	30		CCEDRM
C#CCCCNC(=O)C(=O)N1CC[C@H](C)[C@H](C(=O)[O-])C1	ZINC000843257525	612979746	/nfs/dbraw/zinc/97/97/46/612979746.db2.gz	QVXNKJVIMFXWHM-WDEREUQCSA-N	-1	0	280.324	0.085	20	30		CCEDRM
C#CCO[N-]C(=O)CS(=O)(=O)NC1CCC(C)CC1	ZINC000812782380	612992171	/nfs/dbraw/zinc/99/21/71/612992171.db2.gz	XRZUIDVRUIAGOH-UHFFFAOYSA-N	-1	0	288.369	0.166	20	30		CCEDRM
C#CCO[N-]C(=O)Cn1nc(-c2ccccc2)ccc1=O	ZINC000812783794	612992410	/nfs/dbraw/zinc/99/24/10/612992410.db2.gz	GNMDCPLRBCGOBQ-UHFFFAOYSA-N	-1	0	283.287	0.591	20	30		CCEDRM
C#CCO[N-]C(=O)[C@H](C)N1C(=O)[C@@H]2CCCC[C@@H]2C1=O	ZINC000812784983	612992881	/nfs/dbraw/zinc/99/28/81/612992881.db2.gz	BQLGVGVVZNXQRA-GARJFASQSA-N	-1	0	278.308	0.231	20	30		CCEDRM
C#CCO[C@@H](C)C(=O)N1CCc2occc2[C@@H]1C(=O)[O-]	ZINC000910206371	612995611	/nfs/dbraw/zinc/99/56/11/612995611.db2.gz	RSOKFBCAIQHELO-JOYOIKCWSA-N	-1	0	277.276	0.828	20	30		CCEDRM
C#CCO[C@@H](C)C(=O)NC[C@H](CC1CC1)C(=O)[O-]	ZINC000909882741	612996612	/nfs/dbraw/zinc/99/66/12/612996612.db2.gz	YRXHXMCRPURGFW-ONGXEEELSA-N	-1	0	253.298	0.642	20	30		CCEDRM
C#CCO[C@@H](C)C(=O)[N-]S(=O)(=O)CC(CC)CC	ZINC000835156870	612996758	/nfs/dbraw/zinc/99/67/58/612996758.db2.gz	RPGCRDGNGHAIDY-JTQLQIEISA-N	-1	0	275.370	0.907	20	30		CCEDRM
C#CCO[C@@H](C)C(=O)N[C@H](CC(=O)[O-])C(F)(F)F	ZINC000911163636	612997355	/nfs/dbraw/zinc/99/73/55/612997355.db2.gz	ZURKMJWBBHRNOT-NKWVEPMBSA-N	-1	0	267.203	0.547	20	30		CCEDRM
C#CCO[C@@H](C)C(=O)N[C@H](C(=O)[O-])c1cccc(OC)c1	ZINC000909944506	612997388	/nfs/dbraw/zinc/99/73/88/612997388.db2.gz	JRHGRAIFUPKXLT-GWCFXTLKSA-N	-1	0	291.303	0.975	20	30		CCEDRM
C#CCO[C@@H](C)C(=O)Nc1c[nH]c(C(=O)OCC)n1	ZINC000830352900	612997448	/nfs/dbraw/zinc/99/74/48/612997448.db2.gz	RPRZGPDFLFCKEK-QMMMGPOBSA-N	-1	0	265.269	0.563	20	30		CCEDRM
C#CCO[C@H](C)C(=O)N1CC[C@](C(=O)[O-])(C(C)C)C1	ZINC000909699258	613000495	/nfs/dbraw/zinc/00/04/95/613000495.db2.gz	QEINGJRYDXNQRG-BXUZGUMPSA-N	-1	0	267.325	0.984	20	30		CCEDRM
C#CCO[C@H](C)C(=O)N1Cc2cc(C(=O)[O-])nn2C[C@@H]1C	ZINC000908441056	613001012	/nfs/dbraw/zinc/00/10/12/613001012.db2.gz	YHWMZNJHBHDOTP-VHSXEESVSA-N	-1	0	291.307	0.350	20	30		CCEDRM
C#CCO[C@H](C)C(=O)N[C@H](C(=O)[O-])[C@@H]1CCC[C@@H](OC)C1	ZINC000909914064	613002948	/nfs/dbraw/zinc/00/29/48/613002948.db2.gz	MXLUBNMZFJSGIB-LPWJVIDDSA-N	-1	0	297.351	0.799	20	30		CCEDRM
C#CC[C@@H](NC(=O)CCOC[C@H]1CCCO1)C(=O)[O-]	ZINC000910052725	613039734	/nfs/dbraw/zinc/03/97/34/613039734.db2.gz	HMGNLZPMXLUNMF-GHMZBOCLSA-N	-1	0	269.297	0.165	20	30		CCEDRM
C#CC[C@@H](NC(=O)CCc1cncc(C)c1)C(=O)[O-]	ZINC000910051681	613039877	/nfs/dbraw/zinc/03/98/77/613039877.db2.gz	YJGQARLRWITJIW-GFCCVEGCSA-N	-1	0	260.293	0.915	20	30		CCEDRM
C#CC[C@@H](NC(=O)C[C@H]1CSCCS1)C(=O)[O-]	ZINC000910046455	613040005	/nfs/dbraw/zinc/04/00/05/613040005.db2.gz	PYTNCMQTAKVPFO-DTWKUNHWSA-N	-1	0	273.379	0.818	20	30		CCEDRM
C#CC[C@@H](NC(=O)C[C@@H](OC)C(F)(F)F)C(=O)[O-]	ZINC000910046557	613040073	/nfs/dbraw/zinc/04/00/73/613040073.db2.gz	SDAVKRSUHFHDHA-RNFRBKRXSA-N	-1	0	267.203	0.547	20	30		CCEDRM
C#CC[C@@H](NC(=O)Nc1ccnn1CC)C(=O)[O-]	ZINC000900324509	613040466	/nfs/dbraw/zinc/04/04/66/613040466.db2.gz	SLSMEXJNTIFBIL-MRVPVSSYSA-N	-1	0	250.258	0.501	20	30		CCEDRM
C#CC[C@@H](NC(=O)Nc1cc(CC)nn1C)C(=O)[O-]	ZINC000900336511	613040491	/nfs/dbraw/zinc/04/04/91/613040491.db2.gz	VXNZSUPXWZIPIH-SECBINFHSA-N	-1	0	264.285	0.581	20	30		CCEDRM
C#CC[C@@H](NC(=O)c1cnc(NC)s1)C(=O)[O-]	ZINC000910049599	613042165	/nfs/dbraw/zinc/04/21/65/613042165.db2.gz	YKQJYTPLYWESFP-ZCFIWIBFSA-N	-1	0	253.283	0.391	20	30		CCEDRM
C#CCCNC(=O)NC[C@@H]1[C@H](C)OC(C)(C)N1C(=O)[O-]	ZINC000823444369	613047449	/nfs/dbraw/zinc/04/74/49/613047449.db2.gz	HHFHHUYYZNXTSM-VHSXEESVSA-N	-1	0	283.328	0.812	20	30		CCEDRM
C#CCCNC(=O)[C@H]1[C@@H](C)OC(C)(C)N1C(=O)[O-]	ZINC000823445040	613047893	/nfs/dbraw/zinc/04/78/93/613047893.db2.gz	VDERCXWSXREUDK-RKDXNWHRSA-N	-1	0	254.286	0.629	20	30		CCEDRM
C#CCCS(=O)(=O)[N-]C(=O)CCOC1CCOCC1	ZINC000810780440	613052744	/nfs/dbraw/zinc/05/27/44/613052744.db2.gz	CLSYQKBVCISIIX-UHFFFAOYSA-N	-1	0	289.353	0.041	20	30		CCEDRM
C#CCCS(=O)(=O)[N-]C(=O)C[C@H](OC)C(F)(F)F	ZINC000845545254	613052969	/nfs/dbraw/zinc/05/29/69/613052969.db2.gz	PCSXQCIIYKHASZ-ZETCQYMHSA-N	-1	0	287.259	0.423	20	30		CCEDRM
C#CCCS(=O)(=O)[N-]C(=O)[C@@H]1CCCc2nn(C)cc21	ZINC000810781715	613053259	/nfs/dbraw/zinc/05/32/59/613053259.db2.gz	AYUFLZVGBJVDRT-SNVBAGLBSA-N	-1	0	295.364	0.309	20	30		CCEDRM
C#CCCS(=O)(=O)[N-]C(=O)c1ccc(C#N)cc1	ZINC000810779842	613053521	/nfs/dbraw/zinc/05/35/21/613053521.db2.gz	CXNVQCDSNLMAOA-UHFFFAOYSA-N	-1	0	262.290	0.641	20	30		CCEDRM
C#CCCS(=O)(=O)[N-]C(=O)c1ccc(C)nc1OC	ZINC000810780711	613053631	/nfs/dbraw/zinc/05/36/31/613053631.db2.gz	NQYLIQWHAIPKEC-UHFFFAOYSA-N	-1	0	282.321	0.482	20	30		CCEDRM
C#CCCS(=O)(=O)[N-]C(=O)c1cccc(C#N)n1	ZINC000810783066	613053667	/nfs/dbraw/zinc/05/36/67/613053667.db2.gz	DDEJDSIKCJMKNF-UHFFFAOYSA-N	-1	0	263.278	0.036	20	30		CCEDRM
C#CCCS(=O)(=O)[N-]C(=O)c1cncnc1CC	ZINC000810779221	613053788	/nfs/dbraw/zinc/05/37/88/613053788.db2.gz	DJMKWYLJQJPKDU-UHFFFAOYSA-N	-1	0	267.310	0.122	20	30		CCEDRM
C#CC[C@H](CO)NC(=O)c1cccc(CC(=O)[O-])c1	ZINC000911395176	613057951	/nfs/dbraw/zinc/05/79/51/613057951.db2.gz	NHTVKMWGGVDMOP-GFCCVEGCSA-N	-1	0	261.277	0.428	20	30		CCEDRM
C#CC[C@H](NC(=O)CC1CCN(OCC)CC1)C(=O)[O-]	ZINC000910051525	613067585	/nfs/dbraw/zinc/06/75/85/613067585.db2.gz	XENTVZISAGKNPI-LBPRGKRZSA-N	-1	0	282.340	0.633	20	30		CCEDRM
C#CC[C@H](NC(=O)CN1Cc2ccccc2C1=O)C(=O)[O-]	ZINC000910054725	613067878	/nfs/dbraw/zinc/06/78/78/613067878.db2.gz	SCOUKSJABCNIDW-LBPRGKRZSA-N	-1	0	286.287	0.235	20	30		CCEDRM
C#CC[C@H](NC(=O)C[C@H]1Cc2ccccc2O1)C(=O)[O-]	ZINC000910049290	613068112	/nfs/dbraw/zinc/06/81/12/613068112.db2.gz	VDWFHFZKBVSVDF-NEPJUHHUSA-N	-1	0	273.288	0.973	20	30		CCEDRM
C#CC[C@H](NC(=O)Cn1ncc2cc(C)cnc21)C(=O)[O-]	ZINC000907719842	613068268	/nfs/dbraw/zinc/06/82/68/613068268.db2.gz	VATCPIFQKCRZKG-NSHDSACASA-N	-1	0	286.291	0.332	20	30		CCEDRM
C#CC[C@H](NC(=O)[C@@H](OC)c1ccc(O)cc1)C(=O)[O-]	ZINC000910051404	613068795	/nfs/dbraw/zinc/06/87/95/613068795.db2.gz	ULAWSEXVKSXCHB-RYUDHWBXSA-N	-1	0	277.276	0.672	20	30		CCEDRM
C#CC[C@H](NC(=O)c1csc(COC)n1)C(=O)[O-]	ZINC000910051125	613070585	/nfs/dbraw/zinc/07/05/85/613070585.db2.gz	DXGVYIRZMVYZNM-ZETCQYMHSA-N	-1	0	268.294	0.496	20	30		CCEDRM
C#CC[C@H]([N-]S(=O)(=O)C[C@H](OC)C(C)C)C(=O)OC	ZINC000827683489	613071142	/nfs/dbraw/zinc/07/11/42/613071142.db2.gz	INJJISUKIZZLEO-QWRGUYRKSA-N	-1	0	291.369	0.142	20	30		CCEDRM
C#CC[C@H]1CCCN(C(=O)Cn2cc(C(=O)[O-])nn2)C1	ZINC000851616459	613072068	/nfs/dbraw/zinc/07/20/68/613072068.db2.gz	OUZXMSUTWXOFDC-JTQLQIEISA-N	-1	0	276.296	0.238	20	30		CCEDRM
COc1ccccc1CNC(=O)CN(CC#N)CC(=O)[O-]	ZINC000832613943	617314836	/nfs/dbraw/zinc/31/48/36/617314836.db2.gz	RYZNNGQRGNRNDR-UHFFFAOYSA-N	-1	0	291.307	0.222	20	30		CCEDRM
C#C[C@@H](C)NC(=O)N[C@H]1CCN(c2cc(=O)[nH]cn2)C1	ZINC000895678137	613081696	/nfs/dbraw/zinc/08/16/96/613081696.db2.gz	BKNGFOSPPUWKFO-ZJUUUORDSA-N	-1	0	275.312	0.082	20	30		CCEDRM
C#C[C@@H](NC(=O)CC[C@@H]1C[C@H](C(=O)[O-])CO1)[C@@H]1CCCO1	ZINC000911579730	613092095	/nfs/dbraw/zinc/09/20/95/613092095.db2.gz	PGNOANMYDULIDL-LOWDOPEQSA-N	-1	0	295.335	0.553	20	30		CCEDRM
C#CCN(C/C=C(\C)C(=O)[O-])[C@H]1CCS(=O)(=O)C1	ZINC000825614302	613097857	/nfs/dbraw/zinc/09/78/57/613097857.db2.gz	LIUPPKZZSIFFGZ-INJWIWPUSA-N	-1	0	271.338	0.140	20	30		CCEDRM
C#CCN(CC#C)C(=O)CC[C@@H]1CCN(C(=O)[O-])C1	ZINC000833786900	613098528	/nfs/dbraw/zinc/09/85/28/613098528.db2.gz	DDRRZOMWHJDDPY-GFCCVEGCSA-N	-1	0	262.309	0.862	20	30		CCEDRM
C#C[C@@H](NC(=O)c1cncc(C(=O)[O-])c1)[C@H]1CCCO1	ZINC000911579760	613099267	/nfs/dbraw/zinc/09/92/67/613099267.db2.gz	PMVFFQRKJYECEG-VXGBXAGGSA-N	-1	0	274.276	0.690	20	30		CCEDRM
C#CCN(CC#CC)C(=O)N[C@@H]1CCCN(C(=O)[O-])C1	ZINC000823451510	613100026	/nfs/dbraw/zinc/10/00/26/613100026.db2.gz	XJRMAPOSBIQEAI-GFCCVEGCSA-N	-1	0	277.324	0.797	20	30		CCEDRM
C#C[C@H](C)N(C)C(=O)c1cc(S(N)(=O)=O)ccc1[O-]	ZINC000834552615	613114136	/nfs/dbraw/zinc/11/41/36/613114136.db2.gz	QOVGCNVTSAUWNT-QMMMGPOBSA-N	-1	0	282.321	0.133	20	30		CCEDRM
C#C[C@H](CO)NC(=O)CC1CCC(C(=O)[O-])CC1	ZINC000911611144	613124628	/nfs/dbraw/zinc/12/46/28/613124628.db2.gz	JJALAAVHIGXHOM-VQXHTEKXSA-N	-1	0	253.298	0.378	20	30		CCEDRM
C#C[C@H](CO)NC(=O)CCc1ccc(C(=O)[O-])cc1	ZINC000911610640	613125019	/nfs/dbraw/zinc/12/50/19/613125019.db2.gz	AVXXCRXQMGBVIH-GFCCVEGCSA-N	-1	0	261.277	0.428	20	30		CCEDRM
C#C[C@H](NC(=O)Cn1ccc(C(=O)[O-])n1)C1CCOCC1	ZINC000911789138	613134213	/nfs/dbraw/zinc/13/42/13/613134213.db2.gz	GPLLVHQCQGBCRD-NSHDSACASA-N	-1	0	291.307	0.126	20	30		CCEDRM
C#CCN1CCC[C@@H](NC(=O)C(F)(F)F)[C@@H]1C(=O)[O-]	ZINC000852732534	613165315	/nfs/dbraw/zinc/16/53/15/613165315.db2.gz	DJTFCMYBZTXBFD-HTQZYQBOSA-N	-1	0	278.230	0.216	20	30		CCEDRM
C#Cc1ccc(NC(=O)N2CCOC[C@@H]2C(=O)[O-])cc1	ZINC000900355413	613195301	/nfs/dbraw/zinc/19/53/01/613195301.db2.gz	MMBCWTOJRLJLMS-GFCCVEGCSA-N	-1	0	274.276	0.985	20	30		CCEDRM
C#CCN1CCC[C@H]1C(=O)N1CCSC[C@H](C(=O)[O-])C1	ZINC000910150563	613196359	/nfs/dbraw/zinc/19/63/59/613196359.db2.gz	TWUSRDYPDCKIMM-NEPJUHHUSA-N	-1	0	296.392	0.360	20	30		CCEDRM
C#CCN1CCC[C@H]1C(=O)N[C@@H](CCCC)C(=O)[O-]	ZINC000909505027	613200912	/nfs/dbraw/zinc/20/09/12/613200912.db2.gz	FAMZORJRTYFWHK-RYUDHWBXSA-N	-1	0	266.341	0.844	20	30		CCEDRM
C#CCN1CCC[C@H]1C(=O)N[C@H](CC1CC1)C(=O)[O-]	ZINC000910378824	613201913	/nfs/dbraw/zinc/20/19/13/613201913.db2.gz	BVGGQWVAFSFJBK-NEPJUHHUSA-N	-1	0	264.325	0.454	20	30		CCEDRM
C#Cc1cccc(NC(=O)CNC(=O)[C@H](C)CC(=O)[O-])c1	ZINC000825636237	613204107	/nfs/dbraw/zinc/20/41/07/613204107.db2.gz	FMDUISWAWXVDQO-SNVBAGLBSA-N	-1	0	288.303	0.833	20	30		CCEDRM
C#Cc1cccc(NC(=O)N2C[C@H](O)C[C@@H]2C(=O)[O-])c1	ZINC000040521978	613204125	/nfs/dbraw/zinc/20/41/25/613204125.db2.gz	LEHLGLHLBONTBY-VXGBXAGGSA-N	-1	0	274.276	0.720	20	30		CCEDRM
C#CCN1CCN(C(=O)C(C)(C)CNC(=O)[O-])CC1	ZINC000823450935	613204275	/nfs/dbraw/zinc/20/42/75/613204275.db2.gz	KPOYWAIQIAWZRP-UHFFFAOYSA-N	-1	0	267.329	0.058	20	30		CCEDRM
C#Cc1cccc(NC(=O)[C@H]2CN(C(=O)[O-])CCO2)c1	ZINC000823473879	613204688	/nfs/dbraw/zinc/20/46/88/613204688.db2.gz	IWXJUFJUOHVHJA-GFCCVEGCSA-N	-1	0	274.276	0.985	20	30		CCEDRM
C#CCN1CCN(C(=O)[C@H]2CC[C@H](NC(=O)[O-])C2)CC1	ZINC000823451456	613207830	/nfs/dbraw/zinc/20/78/30/613207830.db2.gz	VVOSSVOXFWYBAF-RYUDHWBXSA-N	-1	0	279.340	0.200	20	30		CCEDRM
C#Cc1cncc(C(=O)N2CCC[C@@H](C(=O)[O-])C2)c1	ZINC000908597100	613212760	/nfs/dbraw/zinc/21/27/60/613212760.db2.gz	CSMHEXBATKJMJP-LLVKDONJSA-N	-1	0	258.277	1.000	20	30		CCEDRM
COc1ccnc(C(=O)[N-]S(=O)(=O)CCCC#N)c1	ZINC000842749829	617324380	/nfs/dbraw/zinc/32/43/80/617324380.db2.gz	IREKYLNJWIBVSY-UHFFFAOYSA-N	-1	0	283.309	0.454	20	30		CCEDRM
C=C(C)CN(C)S(=O)(=O)c1cc(C(=O)[O-])n(C)c1	ZINC000135288705	613282747	/nfs/dbraw/zinc/28/27/47/613282747.db2.gz	KLHPWOIWWPDZMJ-UHFFFAOYSA-N	-1	0	272.326	0.920	20	30		CCEDRM
C=C(C)CN(CC)C(=O)CN1CC[C@H](OC)C[C@H]1C(=O)[O-]	ZINC000833369144	613293053	/nfs/dbraw/zinc/29/30/53/613293053.db2.gz	HCYQFGAPAQYBTR-STQMWFEESA-N	-1	0	298.383	0.975	20	30		CCEDRM
C=C(C)CN(CC)C(=O)[C@@H]1CN(C(=O)[O-])CCO1	ZINC000823473197	613293945	/nfs/dbraw/zinc/29/39/45/613293945.db2.gz	BQWJAVWBJZAMGB-JTQLQIEISA-N	-1	0	256.302	0.790	20	30		CCEDRM
C#CCNC(=O)CN1CCN(C(=O)[O-])CC12CCCCC2	ZINC000823456686	613329070	/nfs/dbraw/zinc/32/90/70/613329070.db2.gz	PDLYQAGOQZPJDZ-UHFFFAOYSA-N	-1	0	293.367	0.734	20	30		CCEDRM
C#CCNC(=O)COC(=O)c1c(C)[nH]c(C(=O)[O-])c1C	ZINC000825620092	613332762	/nfs/dbraw/zinc/33/27/62/613332762.db2.gz	VMWCQHLNRJESDX-UHFFFAOYSA-N	-1	0	278.264	0.236	20	30		CCEDRM
C=C(C)CO[N-]C(=O)COCc1nc(CC)no1	ZINC000824028920	613352507	/nfs/dbraw/zinc/35/25/07/613352507.db2.gz	WZBZVRRPBOJCPR-UHFFFAOYSA-N	-1	0	255.274	0.773	20	30		CCEDRM
C=C(C)COCCNC(=O)[C@H]1CCCN1C(=O)[O-]	ZINC000823480759	613352131	/nfs/dbraw/zinc/35/21/31/613352131.db2.gz	NMESAIMHWAHGDW-SNVBAGLBSA-N	-1	0	256.302	0.838	20	30		CCEDRM
C=C(C)CO[N-]C(=O)C(=O)Nc1ccc(OC)nc1C	ZINC000846146310	613352363	/nfs/dbraw/zinc/35/23/63/613352363.db2.gz	NFPYVPSLYYFFLI-UHFFFAOYSA-N	-1	0	279.296	0.961	20	30		CCEDRM
C=C(C)CO[N-]C(=O)C(=O)Nc1cc(C)c(=O)n(C)c1	ZINC000846146853	613352374	/nfs/dbraw/zinc/35/23/74/613352374.db2.gz	RFIVBQXSOAIFFN-UHFFFAOYSA-N	-1	0	279.296	0.256	20	30		CCEDRM
C=C(C)CS(=O)(=O)N[C@@H](C[C@H]1CCCO1)C(=O)[O-]	ZINC000903029269	613354272	/nfs/dbraw/zinc/35/42/72/613354272.db2.gz	HQGGJEYHSQAENZ-ZJUUUORDSA-N	-1	0	277.342	0.504	20	30		CCEDRM
C=C(C)CS(=O)(=O)N[C@H]1C=CC[C@H](C(=O)[O-])C1	ZINC000906001209	613354319	/nfs/dbraw/zinc/35/43/19/613354319.db2.gz	XICHHLKFSJLKDD-UWVGGRQHSA-N	-1	0	259.327	0.901	20	30		CCEDRM
C=C(C)C[C@@H](NC(=O)COCCCOC)C(=O)[O-]	ZINC000910294315	613355715	/nfs/dbraw/zinc/35/57/15/613355715.db2.gz	OYKVNVXGANRBAY-SNVBAGLBSA-N	-1	0	259.302	0.575	20	30		CCEDRM
C=C(C)C[C@@H](NC(=O)CCCn1cncn1)C(=O)[O-]	ZINC000864188124	613355767	/nfs/dbraw/zinc/35/57/67/613355767.db2.gz	QOHQJYZCNCUAHV-SNVBAGLBSA-N	-1	0	266.301	0.594	20	30		CCEDRM
C=C(C)C[C@@H](NC(=O)[C@@H](C)C(=O)[O-])C(=O)OCC	ZINC000902692129	613355839	/nfs/dbraw/zinc/35/58/39/613355839.db2.gz	GRSDRUROMZRBAK-RKDXNWHRSA-N	-1	0	257.286	0.721	20	30		CCEDRM
C=C(C)C[C@@H](NC(=O)c1cn(CCOC)nc1C)C(=O)[O-]	ZINC000910293506	613356174	/nfs/dbraw/zinc/35/61/74/613356174.db2.gz	JITQLRFXNBACMI-GFCCVEGCSA-N	-1	0	295.339	0.987	20	30		CCEDRM
C=C(C)C[C@@H](NC(C)=O)C(=O)[N-]OCC(C)(C)O	ZINC000834628252	613356453	/nfs/dbraw/zinc/35/64/53/613356453.db2.gz	DDCLJWBCAVEZOT-SNVBAGLBSA-N	-1	0	258.318	0.276	20	30		CCEDRM
C=C(C)C[C@@H](NC(C)=O)C(=O)[N-]S(=O)(=O)[C@H](C)CC	ZINC000850941979	613356430	/nfs/dbraw/zinc/35/64/30/613356430.db2.gz	AUDYFRVTRVJSFY-MWLCHTKSSA-N	-1	0	290.385	0.702	20	30		CCEDRM
C=C(C)C[C@@H](NC(C)=O)C(=O)OCc1n[nH]c(=O)[n-]1	ZINC000849962690	613356731	/nfs/dbraw/zinc/35/67/31/613356731.db2.gz	UGEIFUKRYZCGAK-MRVPVSSYSA-N	-1	0	268.273	0.024	20	30		CCEDRM
C=C(C)C[C@H](C)C(=O)NCCC(=O)[N-]S(C)(=O)=O	ZINC000800550175	613357045	/nfs/dbraw/zinc/35/70/45/613357045.db2.gz	VLRLKDJZMWMWIZ-VIFPVBQESA-N	-1	0	276.358	0.171	20	30		CCEDRM
C=C(C)C[C@H](NC(=O)[C@H]1C[C@]12CCOC2)C(=O)[O-]	ZINC000910294998	613359090	/nfs/dbraw/zinc/35/90/90/613359090.db2.gz	TVJPMGAFDMVIMA-NRUUGDAUSA-N	-1	0	253.298	0.949	20	30		CCEDRM
C=C(C)C[C@H](NC(=O)[C@H](OC)c1cnn(C)c1)C(=O)[O-]	ZINC000910292718	613359119	/nfs/dbraw/zinc/35/91/19/613359119.db2.gz	HRHJPXOKIZSDNB-WDEREUQCSA-N	-1	0	281.312	0.643	20	30		CCEDRM
C=C(C)C[C@H](NC(C)=O)C(=O)[N-]OCCOC(C)C	ZINC000854578163	613359394	/nfs/dbraw/zinc/35/93/94/613359394.db2.gz	SBHKTLGCKXIHHR-LBPRGKRZSA-N	-1	0	272.345	0.930	20	30		CCEDRM
C=C(C)C[C@H](NC(C)=O)C(=O)[N-]OC1CCOCC1	ZINC000832390614	613359434	/nfs/dbraw/zinc/35/94/34/613359434.db2.gz	XAISCGZOKQSOTQ-LBPRGKRZSA-N	-1	0	270.329	0.684	20	30		CCEDRM
C=C(C)C[C@H](NS(=O)(=O)c1ccns1)C(=O)OC	ZINC000885334710	613359921	/nfs/dbraw/zinc/35/99/21/613359921.db2.gz	DBYVDSGWAOPAJF-QMMMGPOBSA-N	-1	0	290.366	0.929	20	30		CCEDRM
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1C[C@@H]2COC[C@]2(C(=O)[O-])C1	ZINC000902060272	613361256	/nfs/dbraw/zinc/36/12/56/613361256.db2.gz	MVAMNZMEOLFDHV-OXJKWZBOSA-N	-1	0	295.335	0.527	20	30		CCEDRM
C=C(C)[C@@H]1OCC[C@@H]1C(=O)NCCn1cnc(C(=O)[O-])c1	ZINC000909910313	613361397	/nfs/dbraw/zinc/36/13/97/613361397.db2.gz	NQBDWJCQYWRJHW-JQWIXIFHSA-N	-1	0	293.323	0.679	20	30		CCEDRM
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@@H]1CC[C@@H]1C(=O)[O-]	ZINC000923141346	613361534	/nfs/dbraw/zinc/36/15/34/613361534.db2.gz	QAHNWHUBDRIYAM-MMWGEVLESA-N	-1	0	253.298	0.947	20	30		CCEDRM
C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)N=c1nn[n-]n1CC	ZINC000888326668	613361929	/nfs/dbraw/zinc/36/19/29/613361929.db2.gz	CWYCXYXFLDOVCP-ZJUUUORDSA-N	-1	0	280.332	0.218	20	30		CCEDRM
C=C(Cl)CN1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1[nH]nc(C)c1[O-]	ZINC000958583622	613383270	/nfs/dbraw/zinc/38/32/70/613383270.db2.gz	MKBISISISDCPEO-MYJAWHEDSA-N	-1	0	296.758	0.836	20	30		CCEDRM
C=C(Cl)C[C@@H](N)C(=O)[N-]S(=O)(=O)[C@@H]1CCCOC1	ZINC000901040348	613387991	/nfs/dbraw/zinc/38/79/91/613387991.db2.gz	LEZNZJLJZYYVMQ-RKDXNWHRSA-N	-1	0	296.776	0.081	20	30		CCEDRM
C=C(Cl)C[C@@H](NC(=O)[C@@H](O)C1CCOCC1)C(=O)[O-]	ZINC000910267740	613388534	/nfs/dbraw/zinc/38/85/34/613388534.db2.gz	UKYMTMPFDKKAKP-ZJUUUORDSA-N	-1	0	291.731	0.486	20	30		CCEDRM
C=C(Cl)C[C@@H](NC(=O)c1cnn(C)n1)C(=O)[O-]	ZINC000910268170	613388676	/nfs/dbraw/zinc/38/86/76/613388676.db2.gz	WTQJYVJROAELRU-ZCFIWIBFSA-N	-1	0	258.665	0.141	20	30		CCEDRM
C=C(Cl)C[C@@H](NS(=O)(=O)Cc1ccon1)C(=O)[O-]	ZINC000863419981	613388741	/nfs/dbraw/zinc/38/87/41/613388741.db2.gz	GEKZSSAXZPGFSK-MRVPVSSYSA-N	-1	0	294.716	0.690	20	30		CCEDRM
C=C(Cl)C[C@@H](NS(=O)(=O)c1ccnn1C)C(=O)[O-]	ZINC000863419824	613388775	/nfs/dbraw/zinc/38/87/75/613388775.db2.gz	DQWZUVYQYCGDCF-SSDOTTSWSA-N	-1	0	293.732	0.294	20	30		CCEDRM
C=C(Cl)C[C@H](NC(=O)NC[C@@H]1CCOC1)C(=O)[O-]	ZINC000864522913	613390717	/nfs/dbraw/zinc/39/07/17/613390717.db2.gz	FCMHUXWTDGMUES-IUCAKERBSA-N	-1	0	276.720	0.918	20	30		CCEDRM
C=C(Cl)C[C@H](NS(=O)(=O)[C@H]1CCO[C@H]1C)C(=O)[O-]	ZINC000863420390	613390961	/nfs/dbraw/zinc/39/09/61/613390961.db2.gz	NAGVDUSJIADUKN-CIUDSAMLSA-N	-1	0	297.760	0.679	20	30		CCEDRM
C=C1CC(C)(C(=O)N2CCO[C@@H](c3nnn[n-]3)C2)C1	ZINC000865595096	613393711	/nfs/dbraw/zinc/39/37/11/613393711.db2.gz	AHYGWLMOZIAXQT-SECBINFHSA-N	-1	0	263.301	0.456	20	30		CCEDRM
C=CCS(=O)(=O)[N-]C(=O)c1ncc2n1CCCC2	ZINC000870256825	613394837	/nfs/dbraw/zinc/39/48/37/613394837.db2.gz	NKXUBMSAIKESOM-UHFFFAOYSA-N	-1	0	269.326	0.465	20	30		CCEDRM
C=C1CCC(C(=O)[N-]S(=O)(=O)[C@@H]2CCOC2)CC1	ZINC000892691983	613409376	/nfs/dbraw/zinc/40/93/76/613409376.db2.gz	QDDFMVSAUNDSSB-LLVKDONJSA-N	-1	0	273.354	0.968	20	30		CCEDRM
C=CC[C@H]1CCN(C(=O)C(=O)NC[C@@H](CC)C(=O)[O-])C1	ZINC000927959388	613421588	/nfs/dbraw/zinc/42/15/88/613421588.db2.gz	NQECQGNIRWVXRX-WDEREUQCSA-N	-1	0	282.340	0.638	20	30		CCEDRM
C=CCn1cc(C(=O)N(CCOC)CCC(=O)[O-])nn1	ZINC000844154854	613425550	/nfs/dbraw/zinc/42/55/50/613425550.db2.gz	GKGRSUPOXFQAPA-UHFFFAOYSA-N	-1	0	282.300	0.027	20	30		CCEDRM
C=CCn1cc(CNC(=O)C(C)(C)SCC(=O)[O-])nn1	ZINC000872874418	613433970	/nfs/dbraw/zinc/43/39/70/613433970.db2.gz	DHBFNPFDNSBMCH-UHFFFAOYSA-N	-1	0	298.368	0.677	20	30		CCEDRM
C=C[C@@H](C)O[N-]C(=O)C(=O)Nc1cncc(OC(C)C)n1	ZINC000847533476	613443113	/nfs/dbraw/zinc/44/31/13/613443113.db2.gz	HAUPSABGCKBDJG-SECBINFHSA-N	-1	0	294.311	0.825	20	30		CCEDRM
C=C[C@@H](C)O[N-]C(=O)C(=O)Nc1ccn([C@@H](C)COC)n1	ZINC000846152748	613443310	/nfs/dbraw/zinc/44/33/10/613443310.db2.gz	CYUNADYKRLBYFP-VHSXEESVSA-N	-1	0	296.327	0.651	20	30		CCEDRM
C=CC(C)(C)CC(=O)[N-]S(=O)(=O)CC(=O)OCC	ZINC000892914145	613446087	/nfs/dbraw/zinc/44/60/87/613446087.db2.gz	PRALWRWXYYFRFK-UHFFFAOYSA-N	-1	0	277.342	0.598	20	30		CCEDRM
C=C[C@@H](C)O[N-]C(=O)[C@H]1C[C@@H](C)[C@H](C(=O)OC)O1	ZINC000869154265	613447282	/nfs/dbraw/zinc/44/72/82/613447282.db2.gz	PWGCMNONWOEAQR-ZYUZMQFOSA-N	-1	0	257.286	0.575	20	30		CCEDRM
C=C[C@@H](CC)CC(=O)NCCC(=O)[N-]S(C)(=O)=O	ZINC000935608404	613448424	/nfs/dbraw/zinc/44/84/24/613448424.db2.gz	LEBVYZHLYGKUDS-VIFPVBQESA-N	-1	0	276.358	0.171	20	30		CCEDRM
C=CC1(S(=O)(=O)[N-]C(=O)Cc2cccnc2)CC1	ZINC000870835036	613450754	/nfs/dbraw/zinc/45/07/54/613450754.db2.gz	ZAIOENIKAXSEMQ-UHFFFAOYSA-N	-1	0	266.322	0.789	20	30		CCEDRM
C=CC1(S(=O)(=O)[N-]C(=O)[C@H]2[C@@H]3COC[C@@H]32)CC1	ZINC000870839610	613451170	/nfs/dbraw/zinc/45/11/70/613451170.db2.gz	PBUMBECWVGHKDN-BRPSZJMVSA-N	-1	0	257.311	0.043	20	30		CCEDRM
C=C[C@@H](O)C(=O)NC[C@H](Cc1ccccc1OC)C(=O)[O-]	ZINC000909386328	613451785	/nfs/dbraw/zinc/45/17/85/613451785.db2.gz	WQGMTWCDXZQAPO-NWDGAFQWSA-N	-1	0	293.319	0.602	20	30		CCEDRM
C=C[C@@H](O)C(=O)N[C@@H](CC(=O)[O-])c1cccs1	ZINC000908641687	613452296	/nfs/dbraw/zinc/45/22/96/613452296.db2.gz	KMOYFXXHWUACSE-JGVFFNPUSA-N	-1	0	255.295	0.927	20	30		CCEDRM
C=CCC(F)(F)C(=O)[N-]S(=O)(=O)CC1(C#N)CC1	ZINC000816014628	613454915	/nfs/dbraw/zinc/45/49/15/613454915.db2.gz	IAUJTKYCTBLJSN-UHFFFAOYSA-N	-1	0	278.280	0.948	20	30		CCEDRM
C=C[C@@H]1OCCC[C@H]1C(=O)N1CCC(c2nnn[n-]2)CC1	ZINC000913746126	613456547	/nfs/dbraw/zinc/45/65/47/613456547.db2.gz	KUHROSXJHNWYRD-NEPJUHHUSA-N	-1	0	291.355	0.887	20	30		CCEDRM
C=CCC1(S(=O)(=O)[N-]C(=O)COC2CC2)CC1	ZINC000893034169	613460627	/nfs/dbraw/zinc/46/06/27/613460627.db2.gz	MMDZHYYQXNNHDM-UHFFFAOYSA-N	-1	0	259.327	0.720	20	30		CCEDRM
C=CCC1(S(=O)(=O)[N-]C(=O)[C@H]2C[C@H]2C(=O)OC)CC1	ZINC000810979857	613461477	/nfs/dbraw/zinc/46/14/77/613461477.db2.gz	KQWUMTBAEYZHCZ-DTWKUNHWSA-N	-1	0	287.337	0.350	20	30		CCEDRM
C=CCCC(=O)Cn1cnc2c(cnn2CC(=O)[O-])c1=O	ZINC000833373149	613462171	/nfs/dbraw/zinc/46/21/71/613462171.db2.gz	HFIPVSQJOCCHPV-UHFFFAOYSA-N	-1	0	290.279	0.213	20	30		CCEDRM
C=CCCCC(=O)[N-]S(=O)(=O)CC(C)(C)C(=O)OC	ZINC000811139050	613464868	/nfs/dbraw/zinc/46/48/68/613464868.db2.gz	AFXOLCWRCUGCEE-UHFFFAOYSA-N	-1	0	291.369	0.988	20	30		CCEDRM
C=C[C@@H]1OCC[C@H]1C(=O)[N-]S(=O)(=O)N1CCCCC1	ZINC000835099138	613466313	/nfs/dbraw/zinc/46/63/13/613466313.db2.gz	VRJCICZWUOGMIU-MNOVXSKESA-N	-1	0	288.369	0.424	20	30		CCEDRM
C=CCCCS(=O)(=O)N[C@H](CC(C)=O)C(=O)[O-]	ZINC000863407293	613469642	/nfs/dbraw/zinc/46/96/42/613469642.db2.gz	GPJTVAVFTPRWMG-SECBINFHSA-N	-1	0	263.315	0.304	20	30		CCEDRM
C=C[C@@H]1OCC[C@H]1CNC(=O)N[C@@H](CC)C(=O)[O-]	ZINC000909237726	613469741	/nfs/dbraw/zinc/46/97/41/613469741.db2.gz	KMHVBEGHWRZLBO-GUBZILKMSA-N	-1	0	256.302	0.740	20	30		CCEDRM
C=CCCC[C@@H](NC(=O)CN1CSCC1=O)C(=O)[O-]	ZINC000910916068	613470703	/nfs/dbraw/zinc/47/07/03/613470703.db2.gz	STQFMXBPDGJIDE-SECBINFHSA-N	-1	0	286.353	0.445	20	30		CCEDRM
C=CCCC[C@@H](NS(=O)(=O)N(C)C(C)C)C(=O)[O-]	ZINC000903059700	613471384	/nfs/dbraw/zinc/47/13/84/613471384.db2.gz	TXRIWBYDHFXXAO-SNVBAGLBSA-N	-1	0	278.374	0.971	20	30		CCEDRM
C=CCCC[C@@H](NC(=O)c1cc2n(n1)CCO2)C(=O)[O-]	ZINC000910917580	613471552	/nfs/dbraw/zinc/47/15/52/613471552.db2.gz	RNFJPFPMXRWPKB-SECBINFHSA-N	-1	0	279.296	0.815	20	30		CCEDRM
C=CCCC[C@H](C)NC(=O)Cn1cnc(-c2nnn[n-]2)n1	ZINC000823894367	613472693	/nfs/dbraw/zinc/47/26/93/613472693.db2.gz	OJELXSGINOVWML-VIFPVBQESA-N	-1	0	290.331	0.319	20	30		CCEDRM
C=CCCC[C@H](NC(=O)Cc1c[nH]cn1)C(=O)[O-]	ZINC000910914036	613473465	/nfs/dbraw/zinc/47/34/65/613473465.db2.gz	BUZQRVPGPWHLEN-JTQLQIEISA-N	-1	0	251.286	0.878	20	30		CCEDRM
C=CCCC[C@H](NC(=O)[C@H]1[C@@H]2COC[C@@H]21)C(=O)[O-]	ZINC000910923680	613473565	/nfs/dbraw/zinc/47/35/65/613473565.db2.gz	VJNKXGBHGMBDNF-ZRUFSTJUSA-N	-1	0	253.298	0.805	20	30		CCEDRM
C=C[C@@](C)(O)C(=O)NC[C@@H](C(=O)[O-])c1ccccc1	ZINC000909294391	613478278	/nfs/dbraw/zinc/47/82/78/613478278.db2.gz	OZELJWFDGRDYOR-BXUZGUMPSA-N	-1	0	263.293	0.908	20	30		CCEDRM
C=C[C@@](C)(O)C(=O)NC[C@@H](Oc1ccc(F)cc1)C(=O)[O-]	ZINC000909388134	613478659	/nfs/dbraw/zinc/47/86/59/613478659.db2.gz	LWXGLTVOFOEAEJ-BXUZGUMPSA-N	-1	0	297.282	0.711	20	30		CCEDRM
C=C[C@H](C)O[N-]C(=O)COCC(=O)OC(C)(C)C	ZINC000846554557	613484101	/nfs/dbraw/zinc/48/41/01/613484101.db2.gz	LQIJVLHHQISILB-VIFPVBQESA-N	-1	0	259.302	0.967	20	30		CCEDRM
C=C[C@H](C)NS(=O)(=O)c1ccc(-c2nn[nH]n2)nc1	ZINC000819729841	613483444	/nfs/dbraw/zinc/48/34/44/613483444.db2.gz	NLHATTMGCRKHFM-ZETCQYMHSA-N	-1	0	280.313	0.115	20	30		CCEDRM
C=C[C@H](C)O[N-]C(=O)C(=O)Nc1cn(C)nc1C1CC1	ZINC000846157226	613483653	/nfs/dbraw/zinc/48/36/53/613483653.db2.gz	SNNIQMGIVYBPAS-QMMMGPOBSA-N	-1	0	278.312	0.858	20	30		CCEDRM
C=C[C@H](C)O[N-]C(=O)CN1CCC[C@H](C(=O)OC)C1=O	ZINC000824033238	613484133	/nfs/dbraw/zinc/48/41/33/613484133.db2.gz	GGHPOHNFOLGALR-UWVGGRQHSA-N	-1	0	284.312	0.020	20	30		CCEDRM
C=C[C@H](C)O[N-]C(=O)CNC(=O)Cc1ccc(O)cc1	ZINC000846548519	613484149	/nfs/dbraw/zinc/48/41/49/613484149.db2.gz	KDTQZSJKNRRZAY-JTQLQIEISA-N	-1	0	278.308	0.673	20	30		CCEDRM
C=C[C@H](C)O[N-]C(=O)CS(=O)(=O)NC(C)(C)C	ZINC000846547986	613484286	/nfs/dbraw/zinc/48/42/86/613484286.db2.gz	CJWOEZMRJNPPKY-QMMMGPOBSA-N	-1	0	264.347	0.327	20	30		CCEDRM
C=C[C@H](CC)CC(=O)N1CCC[C@H]1C(=O)NCC(=O)[O-]	ZINC000907772494	613489117	/nfs/dbraw/zinc/48/91/17/613489117.db2.gz	QSNVXLPKZREWIG-MNOVXSKESA-N	-1	0	282.340	0.781	20	30		CCEDRM
C=C[C@H](CCC(=O)[O-])NS(=O)(=O)C[C@@H]1CCOC1	ZINC000871741766	613490066	/nfs/dbraw/zinc/49/00/66/613490066.db2.gz	DLOMRXKRPJUQPY-NXEZZACHSA-N	-1	0	277.342	0.362	20	30		CCEDRM
C=C[C@H](CO)[N-]S(=O)(=O)c1occc1Br	ZINC000917719335	613493043	/nfs/dbraw/zinc/49/30/43/613493043.db2.gz	SKUAIKMKBOLLJY-ZCFIWIBFSA-N	-1	0	296.142	0.867	20	30		CCEDRM
C=C[C@H](O)C(=O)NC[C@H](CC1CCCC1)C(=O)[O-]	ZINC000908288856	613495872	/nfs/dbraw/zinc/49/58/72/613495872.db2.gz	OVDVPYURHHAZNK-QWRGUYRKSA-N	-1	0	255.314	0.931	20	30		CCEDRM
C=C[C@H](O)C(=O)N[C@@](C)(Cc1ccc(F)cc1)C(=O)[O-]	ZINC000910512904	613496822	/nfs/dbraw/zinc/49/68/22/613496822.db2.gz	OMPNOLGKKOIHIK-FZMZJTMJSA-N	-1	0	281.283	0.875	20	30		CCEDRM
C=C[C@H](O)C(=O)N[C@](C)(CC(=O)[O-])c1ccccn1	ZINC000911616940	613497772	/nfs/dbraw/zinc/49/77/72/613497772.db2.gz	SJAKPBHMYKYZJZ-TVQRCGJNSA-N	-1	0	264.281	0.435	20	30		CCEDRM
C=C[C@](C)(O)C(=O)N1CC2(CCC2)[C@](F)(C(=O)[O-])C1	ZINC000909937055	613505966	/nfs/dbraw/zinc/50/59/66/613505966.db2.gz	AIPWPVIXOUKTAA-WCQYABFASA-N	-1	0	271.288	0.729	20	30		CCEDRM
C=C[C@](C)(O)C(=O)NCCc1ncc(C(=O)[O-])s1	ZINC000910999097	613507092	/nfs/dbraw/zinc/50/70/92/613507092.db2.gz	BNTCNXQEHULDQW-NSHDSACASA-N	-1	0	270.310	0.437	20	30		CCEDRM
CC#CCCCC(=O)[N-]S(=O)(=O)c1cnn(C)c1C	ZINC000813955374	613520612	/nfs/dbraw/zinc/52/06/12/613520612.db2.gz	FHPNFYJJRUKDQP-UHFFFAOYSA-N	-1	0	283.353	0.727	20	30		CCEDRM
CC#CCCNC(=O)[C@@H]1CC[C@H](CCC(=O)[O-])O1	ZINC000911408351	613522832	/nfs/dbraw/zinc/52/28/32/613522832.db2.gz	LBSGQZDSMLTBMA-MNOVXSKESA-N	-1	0	253.298	0.928	20	30		CCEDRM
C=CCCOCC(=O)N(C)[C@@H]1CCN(C(=O)[O-])C1	ZINC000823496442	613570708	/nfs/dbraw/zinc/57/07/08/613570708.db2.gz	JMRZWMXUEXMGFQ-SNVBAGLBSA-N	-1	0	256.302	0.790	20	30		CCEDRM
C=CCCOCC(=O)N1CC[C@H]2[C@@H](C(=O)[O-])[C@H]2C1	ZINC000910841695	613571282	/nfs/dbraw/zinc/57/12/82/613571282.db2.gz	QQKWFTNQPISZHD-JFGNBEQYSA-N	-1	0	253.298	0.758	20	30		CCEDRM
C=CCCO[N-]C(=O)CS(=O)(=O)NC(C)(C)C	ZINC000856030973	613576574	/nfs/dbraw/zinc/57/65/74/613576574.db2.gz	ZKSHWUGUZKMFGY-UHFFFAOYSA-N	-1	0	264.347	0.328	20	30		CCEDRM
C=CCCO[N-]C(=O)Cn1c(C)cc(C)nc1=O	ZINC000856033783	613576600	/nfs/dbraw/zinc/57/66/00/613576600.db2.gz	QPDWTAAUVYFTBK-UHFFFAOYSA-N	-1	0	251.286	0.484	20	30		CCEDRM
C=CCCO[C@@H](C)C(=O)N1CC([C@@H](F)C(=O)[O-])C1	ZINC000910135593	613577502	/nfs/dbraw/zinc/57/75/02/613577502.db2.gz	VLLDLUCTNQVTGY-WCBMZHEXSA-N	-1	0	259.277	0.849	20	30		CCEDRM
C=CCCO[C@H](C)C(=O)N1CCC[C@H](O)[C@H]1C(=O)[O-]	ZINC000911639528	613578990	/nfs/dbraw/zinc/57/89/90/613578990.db2.gz	SGPMMLFFKCANKB-VWYCJHECSA-N	-1	0	271.313	0.404	20	30		CCEDRM
C=CCCS(=O)(=O)N1CCN(C(=O)[O-])[C@H](C)C1	ZINC000823500967	613580802	/nfs/dbraw/zinc/58/08/02/613580802.db2.gz	ODZZDPXNYNKUMP-SECBINFHSA-N	-1	0	262.331	0.576	20	30		CCEDRM
C=CCC[C@@H](NC(=O)[C@@H]1CCn2cncc2C1)C(=O)[O-]	ZINC000909714743	613585026	/nfs/dbraw/zinc/58/50/26/613585026.db2.gz	IAPCBPPJLBHJGJ-ZYHUDNBSSA-N	-1	0	277.324	0.981	20	30		CCEDRM
C=CCC[C@@H](NC(=O)c1csc(=O)[nH]1)C(=O)[O-]	ZINC000909713445	613585561	/nfs/dbraw/zinc/58/55/61/613585561.db2.gz	QFGXOQCMRBEPFW-ZCFIWIBFSA-N	-1	0	256.283	0.998	20	30		CCEDRM
C=CCC[C@H](NC(=O)[C@@H](O)CCSC)C(=O)[O-]	ZINC000909717709	613590163	/nfs/dbraw/zinc/59/01/63/613590163.db2.gz	KKLYMDQKLBLRPP-IUCAKERBSA-N	-1	0	261.343	0.636	20	30		CCEDRM
C=CCC[C@H](O)CN1CCO[C@H]([C@@H](C)NC(=O)[O-])C1	ZINC000823496299	613591086	/nfs/dbraw/zinc/59/10/86/613591086.db2.gz	HLYBNJNPARSGEK-WOPDTQHZSA-N	-1	0	272.345	0.670	20	30		CCEDRM
C=CCN(C(=O)C(=O)N(CCOC)CCC(=O)[O-])C1CC1	ZINC000904941193	613601249	/nfs/dbraw/zinc/60/12/49/613601249.db2.gz	OBIPWOCGZNZCAE-UHFFFAOYSA-N	-1	0	298.339	0.113	20	30		CCEDRM
C=CCN(CC(=O)[O-])C(=O)CCc1ccnc(C)n1	ZINC000909516600	613641891	/nfs/dbraw/zinc/64/18/91/613641891.db2.gz	JLKSOFUJMSSVPJ-UHFFFAOYSA-N	-1	0	263.297	0.817	20	30		CCEDRM
C=CCN(CC(=O)[O-])C(=O)Cn1cc(C2CC2)cn1	ZINC000851603180	613642446	/nfs/dbraw/zinc/64/24/46/613642446.db2.gz	KXKCNMKQAJDTRN-UHFFFAOYSA-N	-1	0	263.297	0.860	20	30		CCEDRM
C=CCN(CC(=O)[O-])C(=O)c1cnc2n1CCOC2	ZINC000909516685	613643674	/nfs/dbraw/zinc/64/36/74/613643674.db2.gz	NDXBPIGNDGNCEI-UHFFFAOYSA-N	-1	0	265.269	0.126	20	30		CCEDRM
C=CCN(CC(=O)[O-])C(=O)c1ccc(CO)cc1OC	ZINC000909514561	613643699	/nfs/dbraw/zinc/64/36/99/613643699.db2.gz	KCJIWDDQQFUUCS-UHFFFAOYSA-N	-1	0	279.292	0.900	20	30		CCEDRM
CC#CCNC(=O)Nc1nc(CC(=O)[O-])cs1	ZINC000833380584	613644498	/nfs/dbraw/zinc/64/44/98/613644498.db2.gz	KIEZYRLAPHMGAR-UHFFFAOYSA-N	-1	0	253.283	0.915	20	30		CCEDRM
CC#CCN[C@@H](C(=O)OC)c1cccc(-c2nn[nH]n2)c1	ZINC000823942546	613645165	/nfs/dbraw/zinc/64/51/65/613645165.db2.gz	FWZXXJRUSONMLC-GFCCVEGCSA-N	-1	0	285.307	0.694	20	30		CCEDRM
CC#CCS(=O)(=O)[N-]C(=O)Cc1occc1C	ZINC000851000308	613646162	/nfs/dbraw/zinc/64/61/62/613646162.db2.gz	ROMBALXRUJCDOC-UHFFFAOYSA-N	-1	0	255.295	0.600	20	30		CCEDRM
CC#CCS(=O)(=O)[N-]C(=O)[C@@H]1OCCc2ccccc21	ZINC000810776086	613646603	/nfs/dbraw/zinc/64/66/03/613646603.db2.gz	FLWYZXDYZYHGSV-CYBMUJFWSA-N	-1	0	293.344	0.770	20	30		CCEDRM
CC#CCS(=O)(=O)[N-]C(=O)[C@@H]1CCC(=O)c2cccn21	ZINC000810777355	613646607	/nfs/dbraw/zinc/64/66/07/613646607.db2.gz	FHWPPLYHWDBRNL-NSHDSACASA-N	-1	0	294.332	0.475	20	30		CCEDRM
CC#CCS(=O)(=O)[N-]C(=O)[C@H](OC)C1CCC1	ZINC000851000770	613646957	/nfs/dbraw/zinc/64/69/57/613646957.db2.gz	ZTOMKNBBCUGKND-SNVBAGLBSA-N	-1	0	259.327	0.271	20	30		CCEDRM
CC#CCS(=O)(=O)[N-]C(=O)[C@@H]1CCCC[C@H]1OC	ZINC000816056533	613646790	/nfs/dbraw/zinc/64/67/90/613646790.db2.gz	WOTWAYOJRIBBIU-GHMZBOCLSA-N	-1	0	273.354	0.661	20	30		CCEDRM
CC#CCS(=O)(=O)[N-]C(=O)[C@@H]1CC[C@@H](OC)C1	ZINC000851000186	613646812	/nfs/dbraw/zinc/64/68/12/613646812.db2.gz	QYJNHCXNOCYTND-NXEZZACHSA-N	-1	0	259.327	0.271	20	30		CCEDRM
C=CCN(CC=C)C(=O)CN1CC[C@@](F)(C(=O)[O-])C1	ZINC000825681630	613647297	/nfs/dbraw/zinc/64/72/97/613647297.db2.gz	DYJSMXWICWZWOI-ZDUSSCGKSA-N	-1	0	270.304	0.686	20	30		CCEDRM
CC#CCS(=O)(=O)[N-]C(=O)c1cccc(C(C)=O)c1	ZINC000810772767	613647816	/nfs/dbraw/zinc/64/78/16/613647816.db2.gz	DUHFQBVUQDFUTR-UHFFFAOYSA-N	-1	0	279.317	0.972	20	30		CCEDRM
CC#CCS(=O)(=O)[N-]C(=O)c1cccc(COC)c1	ZINC000791111740	613647822	/nfs/dbraw/zinc/64/78/22/613647822.db2.gz	XGXCFJFMPFIKQI-UHFFFAOYSA-N	-1	0	281.333	0.916	20	30		CCEDRM
CC#CCS(=O)(=O)[N-]C(=O)c1csc(COC)n1	ZINC000810778248	613648064	/nfs/dbraw/zinc/64/80/64/613648064.db2.gz	ZGORXXMSRYJGOX-UHFFFAOYSA-N	-1	0	288.350	0.372	20	30		CCEDRM
C=CCN(Cc1ccc(C(=O)[O-])[nH]1)[C@H]1CCS(=O)(=O)C1	ZINC000833374599	613651247	/nfs/dbraw/zinc/65/12/47/613651247.db2.gz	SQHDKBNFSSDNLF-NSHDSACASA-N	-1	0	298.364	0.888	20	30		CCEDRM
CC(=NNCC(=O)[O-])c1ccc(-n2cnnn2)cc1	ZINC000814958421	613654594	/nfs/dbraw/zinc/65/45/94/613654594.db2.gz	RBGCLKHUYWVJOC-UHFFFAOYSA-N	-1	0	260.257	0.061	20	30		CCEDRM
CC(=NNCC(=O)[O-])[C@@H]1CN(Cc2ccccc2)CCO1	ZINC000814959744	613654610	/nfs/dbraw/zinc/65/46/10/613654610.db2.gz	BDDNSXJUYPZHOV-AWEZNQCLSA-N	-1	0	291.351	0.938	20	30		CCEDRM
CC(=NN[C@H]1CCO[C@@H](C)C1)c1cn(CC(=O)[O-])nn1	ZINC000833386730	613657138	/nfs/dbraw/zinc/65/71/38/613657138.db2.gz	WDDKHFQLBKJSQV-WPRPVWTQSA-N	-1	0	281.316	0.244	20	30		CCEDRM
CC(=O)NCCCCCC(=O)Nc1nc(C#N)c(C#N)[n-]1	ZINC000920445127	613720600	/nfs/dbraw/zinc/72/06/00/613720600.db2.gz	MHXZTVKYARJHME-UHFFFAOYSA-N	-1	0	288.311	0.788	20	30		CCEDRM
C=CCNC(=O)CNC(=O)Cc1cccc(C(=O)[O-])c1	ZINC000833376842	613846148	/nfs/dbraw/zinc/84/61/48/613846148.db2.gz	FVSLVTSGQMOGBT-UHFFFAOYSA-N	-1	0	276.292	0.346	20	30		CCEDRM
C=CCNC(=O)CNc1nc(C)c(C(=O)[O-])s1	ZINC000900938720	613847395	/nfs/dbraw/zinc/84/73/95/613847395.db2.gz	GVROEZHXNNOFAN-UHFFFAOYSA-N	-1	0	255.299	0.864	20	30		CCEDRM
C=CCNC(=O)NC(=O)CN(C)c1ccccc1C(=O)[O-]	ZINC000833376597	613849634	/nfs/dbraw/zinc/84/96/34/613849634.db2.gz	JCLNGMJWDQEBTH-UHFFFAOYSA-N	-1	0	291.307	0.833	20	30		CCEDRM
C=CCNC(=O)C(C#N)=C([O-])c1cnn(CC2CC2)c1	ZINC000870140733	613854945	/nfs/dbraw/zinc/85/49/45/613854945.db2.gz	LCQCAJNHKQHVBF-GFCCVEGCSA-N	-1	0	272.308	0.918	20	30		CCEDRM
C=CCNC(=O)[C@H](C)OC(=O)c1ccc([N+](=O)[O-])[n-]1	ZINC000798895015	613855927	/nfs/dbraw/zinc/85/59/27/613855927.db2.gz	RKQCOQHVXISVNV-ZETCQYMHSA-N	-1	0	267.241	0.770	20	30		CCEDRM
C=CCOCC(=O)N1CCC[C@H]1CN(C)C(=O)[O-]	ZINC000823516386	613879020	/nfs/dbraw/zinc/87/90/20/613879020.db2.gz	IMPDYHIIBIQKLV-JTQLQIEISA-N	-1	0	256.302	0.790	20	30		CCEDRM
C=CCOCC(=O)N1CCO[C@H]([C@@H](C)NC(=O)[O-])C1	ZINC000823516802	613879186	/nfs/dbraw/zinc/87/91/86/613879186.db2.gz	WAZHLGQQDUHUAU-ZJUUUORDSA-N	-1	0	272.301	0.073	20	30		CCEDRM
C=CCOCC(=O)NC[C@@]1(C(=O)[O-])CCCOC1	ZINC000910305819	613879335	/nfs/dbraw/zinc/87/93/35/613879335.db2.gz	MBZZRPVWRYLKQU-LBPRGKRZSA-N	-1	0	257.286	0.187	20	30		CCEDRM
C=CCOCC(=O)N[C@]1(C(=O)[O-])C[C@H](OCC)C1(C)C	ZINC000909604618	613879559	/nfs/dbraw/zinc/87/95/59/613879559.db2.gz	YOFDFXCCTDWACC-HZMBPMFUSA-N	-1	0	285.340	0.964	20	30		CCEDRM
C=CCOC[C@@H](NC(=O)COCC1CCCC1)C(=O)[O-]	ZINC000909772605	613881674	/nfs/dbraw/zinc/88/16/74/613881674.db2.gz	SSXNUJKLVTYHRG-GFCCVEGCSA-N	-1	0	285.340	0.965	20	30		CCEDRM
C=CCOC[C@H](NC(=O)C(C)(C)SC)C(=O)[O-]	ZINC000851607745	613882206	/nfs/dbraw/zinc/88/22/06/613882206.db2.gz	RVYUBBIRGKOYLX-QMMMGPOBSA-N	-1	0	261.343	0.900	20	30		CCEDRM
C=CCOC[C@H](NC(=O)C1(C#N)CCSCC1)C(=O)[O-]	ZINC000907669258	613882240	/nfs/dbraw/zinc/88/22/40/613882240.db2.gz	JSYFZMDVVWARQS-JTQLQIEISA-N	-1	0	298.364	0.795	20	30		CCEDRM
C=CCOC[C@H](NC(=O)Cc1ccc(CC)cn1)C(=O)[O-]	ZINC000909771724	613882349	/nfs/dbraw/zinc/88/23/49/613882349.db2.gz	PIGSIUOCDXGZAK-ZDUSSCGKSA-N	-1	0	292.335	0.959	20	30		CCEDRM
C=CCOC[C@H](NC(=O)CCc1cncn1C)C(=O)[O-]	ZINC000909769143	613882378	/nfs/dbraw/zinc/88/23/78/613882378.db2.gz	BDFFDGANNMGVGV-NSHDSACASA-N	-1	0	281.312	0.125	20	30		CCEDRM
C=CCOC[C@H](NC(=O)N[C@H]1CCO[C@@H](C)C1)C(=O)[O-]	ZINC000909032327	613882469	/nfs/dbraw/zinc/88/24/69/613882469.db2.gz	BGKVROLLBZNKRI-DCAQKATOSA-N	-1	0	286.328	0.509	20	30		CCEDRM
C=CCOC[C@H](NC(=O)N[C@H]1CCSC1)C(=O)[O-]	ZINC000908962512	613882483	/nfs/dbraw/zinc/88/24/83/613882483.db2.gz	GAFZLCZYLUBXSX-IUCAKERBSA-N	-1	0	274.342	0.447	20	30		CCEDRM
C=CCOC[C@H](NC(=O)c1cncc(C)c1)C(=O)[O-]	ZINC000909772260	613882661	/nfs/dbraw/zinc/88/26/61/613882661.db2.gz	WMUWXNUBEJMOIY-NSHDSACASA-N	-1	0	264.281	0.776	20	30		CCEDRM
C=CCOc1cccnc1C(=O)N[C@H]1CCCN(O)C1=O	ZINC000848134777	613885000	/nfs/dbraw/zinc/88/50/00/613885000.db2.gz	DOCUJFRSWXPFEE-JTQLQIEISA-N	-1	0	291.307	0.756	20	30		CCEDRM
C=CCS(=O)(=O)[N-]C(=O)COc1ccsc1	ZINC000800400661	613886100	/nfs/dbraw/zinc/88/61/00/613886100.db2.gz	AYCQCBCAQRLZGJ-UHFFFAOYSA-N	-1	0	261.324	0.759	20	30		CCEDRM
C=CCS(=O)(=O)[N-]C(=O)[C@@H](OCC)[C@@H]1CCOC1	ZINC000870256564	613886189	/nfs/dbraw/zinc/88/61/89/613886189.db2.gz	IVMFYFNNJJMVCC-ZJUUUORDSA-N	-1	0	277.342	0.060	20	30		CCEDRM
C=CCS(=O)(=O)[N-]C(=O)c1cnc2n1CCCCC2	ZINC000857013905	613886325	/nfs/dbraw/zinc/88/63/25/613886325.db2.gz	FJNBUSRQODWWHW-UHFFFAOYSA-N	-1	0	283.353	0.855	20	30		CCEDRM
CC(C)NC(=O)[C@H](C#N)C(=O)[C@@H]1CC[C@H](NC(=O)[O-])C1	ZINC000824368530	613934088	/nfs/dbraw/zinc/93/40/88/613934088.db2.gz	LWOTVQGPZPFZFY-KXUCPTDWSA-N	-1	0	281.312	0.656	20	30		CCEDRM
CC(C)OCCON=Cc1c(C(=O)[O-])cnn1C	ZINC000848409796	614018032	/nfs/dbraw/zinc/01/80/32/614018032.db2.gz	FKXLENMJSWBNBT-UHFFFAOYSA-N	-1	0	255.274	0.894	20	30		CCEDRM
CC(C)OCCO[N-]C(=O)C(=O)Nc1ccc(C#N)cc1	ZINC000813054697	614018267	/nfs/dbraw/zinc/01/82/67/614018267.db2.gz	HNGWDUSCMQBJEN-UHFFFAOYSA-N	-1	0	291.307	0.970	20	30		CCEDRM
CC(C)Oc1cccc(C(=O)N(CC#N)CC(=O)[O-])n1	ZINC000833507322	614056727	/nfs/dbraw/zinc/05/67/27/614056727.db2.gz	ZXLDMFKKFVXZDB-UHFFFAOYSA-N	-1	0	277.280	0.919	20	30		CCEDRM
CC(C)(CNC(=O)C#Cc1ccc2c(c1)OCO2)C(=O)[O-]	ZINC000826550518	614092577	/nfs/dbraw/zinc/09/25/77/614092577.db2.gz	GRAKXLSPKIFKEF-UHFFFAOYSA-N	-1	0	289.287	0.994	20	30		CCEDRM
CC(=O)N[C@H]1CCCN(C(=O)[C@](C)(C#N)CC(=O)[O-])C1	ZINC000819737582	614127760	/nfs/dbraw/zinc/12/77/60/614127760.db2.gz	XRPFETGNRWLICV-GWCFXTLKSA-N	-1	0	281.312	0.118	20	30		CCEDRM
CC(C)(NC(=O)[O-])C(C)(C)C(=O)OCC(=O)NCC#N	ZINC000824024990	614167537	/nfs/dbraw/zinc/16/75/37/614167537.db2.gz	KSKBNSSDHBZGGG-UHFFFAOYSA-N	-1	0	285.300	0.242	20	30		CCEDRM
CC(C)[C@@](C)(C#N)NC(=O)[C@@H](C)OC(=O)[C@H](C)NC(=O)[O-]	ZINC000833532857	614180869	/nfs/dbraw/zinc/18/08/69/614180869.db2.gz	KPVRFGWPVUHQTP-IGJMFERPSA-N	-1	0	299.327	0.629	20	30		CCEDRM
CC(C)(O)CNN=Cc1ccc([O-])c([N+](=O)[O-])c1	ZINC000863140605	614194193	/nfs/dbraw/zinc/19/41/93/614194193.db2.gz	NCOOBDZQVXBQTG-UHFFFAOYSA-N	-1	0	253.258	0.995	20	30		CCEDRM
CC(=O)OC1CCN(C(=O)[C@@](C)(C#N)CC(=O)[O-])CC1	ZINC000819796879	614214141	/nfs/dbraw/zinc/21/41/41/614214141.db2.gz	OFAJHYMKGBAEFX-CYBMUJFWSA-N	-1	0	282.296	0.545	20	30		CCEDRM
CC(C)[C@H]1CN(C(=O)[C@](C)(C#N)CC(=O)[O-])CCO1	ZINC000819962069	614271032	/nfs/dbraw/zinc/27/10/32/614271032.db2.gz	JHHQTNGKEGTSCR-MFKMUULPSA-N	-1	0	268.313	0.874	20	30		CCEDRM
CC(C)(C#N)CS(=O)(=O)N1CCC[C@H](C#CC(=O)[O-])C1	ZINC000899925268	614286258	/nfs/dbraw/zinc/28/62/58/614286258.db2.gz	BKOZRLOUVIHCCK-LLVKDONJSA-N	-1	0	298.364	0.666	20	30		CCEDRM
CC(C)N(CCC#N)C(=O)[C@@H]1CN(C(=O)[O-])CCO1	ZINC000824335708	614290553	/nfs/dbraw/zinc/29/05/53/614290553.db2.gz	FYVPHCGLBBXDIU-JTQLQIEISA-N	-1	0	269.301	0.516	20	30		CCEDRM
CC(CCc1ccc(OCC(=O)[O-])cc1)=NNCC(N)=O	ZINC000814903912	614378354	/nfs/dbraw/zinc/37/83/54/614378354.db2.gz	HIIODKSDJYLFRW-UHFFFAOYSA-N	-1	0	293.323	0.533	20	30		CCEDRM
CCCCNC(=O)CN1CCN(C(=O)[O-])C[C@@H]1C#N	ZINC000826836879	614419671	/nfs/dbraw/zinc/41/96/71/614419671.db2.gz	RVPBVDKRRBQOPM-JTQLQIEISA-N	-1	0	268.317	0.090	20	30		CCEDRM
CCCCNC(=O)CN1CCN(C(=O)[O-])C[C@H]1C#N	ZINC000826836880	614419927	/nfs/dbraw/zinc/41/99/27/614419927.db2.gz	RVPBVDKRRBQOPM-SNVBAGLBSA-N	-1	0	268.317	0.090	20	30		CCEDRM
CCCCS(=O)(=O)N1CCC[C@H](C#CC(=O)[O-])C1	ZINC000899927488	614467257	/nfs/dbraw/zinc/46/72/57/614467257.db2.gz	WGUVTNYDDDAABX-LLVKDONJSA-N	-1	0	273.354	0.916	20	30		CCEDRM
CCCN(C)S(=O)(=O)[N-]C(=O)CCCCC#N	ZINC000847661295	614523796	/nfs/dbraw/zinc/52/37/96/614523796.db2.gz	BWDOLKCBJMYQKN-UHFFFAOYSA-N	-1	0	261.347	0.773	20	30		CCEDRM
C[C@](C#N)(CC(=O)[O-])C(=O)N[C@@H]1CC(C)(C)OC1=O	ZINC000820205812	614743867	/nfs/dbraw/zinc/74/38/67/614743867.db2.gz	ABDBVMBTYQRZFO-JMCQJSRRSA-N	-1	0	268.269	0.201	20	30		CCEDRM
CCCC(=O)NCC(=O)[N-]Oc1cccc(C#N)c1	ZINC000870692866	614887778	/nfs/dbraw/zinc/88/77/78/614887778.db2.gz	PNYRMUMMNDBMAM-UHFFFAOYSA-N	-1	0	261.281	0.885	20	30		CCEDRM
CCCCCNC(=O)C(C#N)=C([O-])c1ncn(C)n1	ZINC000810528096	614923202	/nfs/dbraw/zinc/92/32/02/614923202.db2.gz	QMWITMIFWPALLT-VIFPVBQESA-N	-1	0	263.301	0.444	20	30		CCEDRM
C[C@](C#N)(CC(=O)[O-])C(=O)NC1CCC(C)(O)CC1	ZINC000820214987	614929821	/nfs/dbraw/zinc/92/98/21/614929821.db2.gz	OBOUDTMBZQWGCI-BKDHPRRPSA-N	-1	0	268.313	0.801	20	30		CCEDRM
CC1(OCC(=O)N2CCN(C(=O)[O-])C[C@@H]2C#N)CCC1	ZINC000825766206	614932544	/nfs/dbraw/zinc/93/25/44/614932544.db2.gz	LWLMMAOVESOQKO-JTQLQIEISA-N	-1	0	281.312	0.660	20	30		CCEDRM
CCCO[N-]C(=O)C(=O)Nc1nn(C(C)(C)C)cc1C#N	ZINC000834353343	614943870	/nfs/dbraw/zinc/94/38/70/614943870.db2.gz	MGYLZYWFPQEZMU-UHFFFAOYSA-N	-1	0	293.327	0.906	20	30		CCEDRM
CCC[C@@H](C#N)NC(=O)[C@@H]1CN(C(=O)[O-])CCO1	ZINC000826706937	614971404	/nfs/dbraw/zinc/97/14/04/614971404.db2.gz	UQPSLQHQXAFCML-IUCAKERBSA-N	-1	0	255.274	0.174	20	30		CCEDRM
CCN(CCC#N)C(=O)CN1CCN(C(=O)[O-])CC1(C)C	ZINC000827112148	615021083	/nfs/dbraw/zinc/02/10/83/615021083.db2.gz	XCEAVSHBASNIJQ-UHFFFAOYSA-N	-1	0	296.371	0.823	20	30		CCEDRM
CCN(CCC#N)C(=O)[C@@H]1CN(C(=O)[O-])CCO1	ZINC000827111767	615023357	/nfs/dbraw/zinc/02/33/57/615023357.db2.gz	RVXPNIHOKOOFTM-VIFPVBQESA-N	-1	0	255.274	0.127	20	30		CCEDRM
CCN(C[C@H](C)C#N)C(=O)[C@](C)(C#N)CC(=O)[O-]	ZINC000820332730	615064907	/nfs/dbraw/zinc/06/49/07/615064907.db2.gz	GSRQFCLIEUAPCE-SKDRFNHKSA-N	-1	0	251.286	0.999	20	30		CCEDRM
CCOC(=O)c1ccc(CN[C@@H]2CCCN(O)C2=O)o1	ZINC000895161017	615182042	/nfs/dbraw/zinc/18/20/42/615182042.db2.gz	CRAMJIZEHWGPGM-SNVBAGLBSA-N	-1	0	282.296	0.926	20	30		CCEDRM
CCOC1CC2(C[C@H]2C(=O)N[C@H]2CCN(O)C2=O)C1	ZINC000820128677	615225646	/nfs/dbraw/zinc/22/56/46/615225646.db2.gz	ZSRFVJFIQTUHGJ-XWDDTNKTSA-N	-1	0	268.313	0.298	20	30		CCEDRM
CCOCCN1CCN(C(=O)[C@](C)(C#N)CC(=O)[O-])CC1	ZINC000820377636	615254173	/nfs/dbraw/zinc/25/41/73/615254173.db2.gz	CHAVLMBQUUOHOU-AWEZNQCLSA-N	-1	0	297.355	0.172	20	30		CCEDRM
CCOC(=O)c1[nH]c(=O)n(-c2cc(C#N)ccc2C)c1[O-]	ZINC000813359490	615325830	/nfs/dbraw/zinc/32/58/30/615325830.db2.gz	NHIPBXIUEOKUKA-LLVKDONJSA-N	-1	0	287.275	0.855	20	30		CCEDRM
CCO[N-]C(=O)CNC(=O)N(C)Cc1cc(C#N)cs1	ZINC000895570719	615359074	/nfs/dbraw/zinc/35/90/74/615359074.db2.gz	NQJMMULPPHORRG-UHFFFAOYSA-N	-1	0	296.352	0.829	20	30		CCEDRM
CCO[N-]C(=O)CNc1ccc([N+](=O)[O-])c(C#N)c1	ZINC000845713076	615376670	/nfs/dbraw/zinc/37/66/70/615376670.db2.gz	CNURQVSBGMXTED-UHFFFAOYSA-N	-1	0	264.241	0.946	20	30		CCEDRM
CC[C@@H](C)[C@H](NC(=O)CN(C)CCC#N)C(=O)[O-]	ZINC000828707308	615468206	/nfs/dbraw/zinc/46/82/06/615468206.db2.gz	GHBABPDXORXIFU-KOLCDFICSA-N	-1	0	255.318	0.447	20	30		CCEDRM
CC[C@@H]1CN(C(=O)C2(C#N)CCOCC2)C[C@@]1(F)C(=O)[O-]	ZINC000910561116	615557065	/nfs/dbraw/zinc/55/70/65/615557065.db2.gz	ZGPRCHJPTDLIDJ-YGRLFVJLSA-N	-1	0	298.314	0.968	20	30		CCEDRM
CC[C@@](C)(C#N)C(=O)N1CC[C@@](OC)(C(=O)[O-])C1	ZINC000923098703	615587929	/nfs/dbraw/zinc/58/79/29/615587929.db2.gz	NZCUPDVFLOCJGH-RYUDHWBXSA-N	-1	0	254.286	0.628	20	30		CCEDRM
CC[C@H](C#N)NC(=O)[C@H](O)c1ccc(-c2nn[nH]n2)cc1	ZINC000825039339	615600003	/nfs/dbraw/zinc/60/00/03/615600003.db2.gz	POBXTVADOFKXTB-GHMZBOCLSA-N	-1	0	286.295	0.318	20	30		CCEDRM
CCc1cc(CNC(=O)[C@@](C)(C#N)CC(=O)[O-])on1	ZINC000820474076	615649796	/nfs/dbraw/zinc/64/97/96/615649796.db2.gz	GDRIEFAOPHWOGG-GFCCVEGCSA-N	-1	0	265.269	0.858	20	30		CCEDRM
CCc1ccccc1CC(=O)N[C@H]1CCN(O)C1=O	ZINC000816689880	615687055	/nfs/dbraw/zinc/68/70/55/615687055.db2.gz	AIKMXHMNPLMXHN-LBPRGKRZSA-N	-1	0	262.309	0.898	20	30		CCEDRM
CCn1ncc(Cl)c1C([O-])=C(C#N)C(=O)NCCOC	ZINC000857010298	615713714	/nfs/dbraw/zinc/71/37/14/615713714.db2.gz	JZPXWWHAXOMKKG-MRVPVSSYSA-N	-1	0	298.730	0.641	20	30		CCEDRM
CCc1nc(C)c(C(=O)[N-]S(=O)(=O)CC2(C#N)CC2)o1	ZINC000816014478	615733586	/nfs/dbraw/zinc/73/35/86/615733586.db2.gz	AZKBNSRSHKBIPX-UHFFFAOYSA-N	-1	0	297.336	0.909	20	30		CCEDRM
CCc1nn(C)c(Cl)c1C=Nn1c(=O)[n-][nH]c1=O	ZINC000814232595	615793564	/nfs/dbraw/zinc/79/35/64/615793564.db2.gz	DNMQLVKNZMICMM-UHFFFAOYSA-N	-1	0	270.680	0.521	20	30		CCEDRM
CC[C@H](O)CNN=Cc1ccc(O)c(C(=O)[O-])c1	ZINC000811656769	615830259	/nfs/dbraw/zinc/83/02/59/615830259.db2.gz	VTOPGDRNQPWCNS-VIFPVBQESA-N	-1	0	252.270	0.785	20	30		CCEDRM
CC[C@H](OC)C(=O)[N-]S(=O)(=O)CC1(C#N)CC1	ZINC000793205036	615862175	/nfs/dbraw/zinc/86/21/75/615862175.db2.gz	SKFKQSWRHOQQQU-QMMMGPOBSA-N	-1	0	260.315	0.161	20	30		CCEDRM
CC[C@H]1CCCCN1C(=O)CN(CC#N)CC(=O)[O-]	ZINC000829118465	615879598	/nfs/dbraw/zinc/87/95/98/615879598.db2.gz	HPPHRBDLWCGFKT-NSHDSACASA-N	-1	0	267.329	0.688	20	30		CCEDRM
CCN1C(=S)N=NC1CNC(=O)[C@](C)(C#N)CC(=O)[O-]	ZINC000820507204	615928215	/nfs/dbraw/zinc/92/82/15/615928215.db2.gz	YGXGMRORSQFYTK-NSHDSACASA-N	-1	0	297.340	0.207	20	30		CCEDRM
CCn1ccc(C(=O)[N-]S(=O)(=O)CC(C)(C)C#N)n1	ZINC000842752742	616021013	/nfs/dbraw/zinc/02/10/13/616021013.db2.gz	TVRBNUBRRJKYHX-UHFFFAOYSA-N	-1	0	284.341	0.512	20	30		CCEDRM
CN(CC1(O)CCCC1)C(=O)[C@](C)(C#N)CC(=O)[O-]	ZINC000820574238	616057115	/nfs/dbraw/zinc/05/71/15/616057115.db2.gz	JEUACPWKSGLUGF-LBPRGKRZSA-N	-1	0	268.313	0.754	20	30		CCEDRM
CN(Cc1cnn(C)c1)C(=O)[C@](C)(C#N)CC(=O)[O-]	ZINC000820607501	616096515	/nfs/dbraw/zinc/09/65/15/616096515.db2.gz	INYZKNGKBFAXTR-LBPRGKRZSA-N	-1	0	264.285	0.383	20	30		CCEDRM
COC(=O)[C@@H]1CCN(C(=O)[C@](C)(C#N)CC(=O)[O-])C1	ZINC000820660371	616303163	/nfs/dbraw/zinc/30/31/63/616303163.db2.gz	DEBDTSKFPLXIDL-PELKAZGASA-N	-1	0	268.269	0.012	20	30		CCEDRM
COCCNC(=O)C(C#N)=C([O-])c1ncc2n1CCCC2	ZINC000870135952	616492632	/nfs/dbraw/zinc/49/26/32/616492632.db2.gz	FTMDPUDEQMEABS-NSHDSACASA-N	-1	0	290.323	0.304	20	30		CCEDRM
COCCNC(=O)[C@H](C#N)C(=O)[C@@H]1CCC[C@@H](C(=O)[O-])C1	ZINC000831744960	616495901	/nfs/dbraw/zinc/49/59/01/616495901.db2.gz	NPBGBBMYUMXBGD-GMTAPVOTSA-N	-1	0	296.323	0.349	20	30		CCEDRM
COC1CC(C(=O)[N-]S(=O)(=O)c2ccc(C#N)cc2)C1	ZINC000860448137	616499882	/nfs/dbraw/zinc/49/98/82/616499882.db2.gz	JLAAOFUDHDGCQC-UHFFFAOYSA-N	-1	0	294.332	0.788	20	30		CCEDRM
COC(=O)CCCO[N-]C(=O)[C@@]1(C#N)CCCOC1	ZINC000880022555	616539055	/nfs/dbraw/zinc/53/90/55/616539055.db2.gz	SGYNSYBPCGSSGN-GFCCVEGCSA-N	-1	0	270.285	0.308	20	30		CCEDRM
COC(=O)CCCONC(=O)c1ccc(C#N)c([O-])c1	ZINC000811557349	616540099	/nfs/dbraw/zinc/54/00/99/616540099.db2.gz	AYMSBJCOXOHZMU-UHFFFAOYSA-N	-1	0	278.264	0.878	20	30		CCEDRM
COC(=O)CN(CC#N)C(=O)[C@H]1CCC[C@H](C(=O)[O-])C1	ZINC000831164977	616587173	/nfs/dbraw/zinc/58/71/73/616587173.db2.gz	XBDKCLREIKBQEM-UWVGGRQHSA-N	-1	0	282.296	0.403	20	30		CCEDRM
COC(=O)[C@H](C)[C@@H](C)S(=O)(=O)[N-]C(=O)[C@@H](C)CC#N	ZINC000850958489	616587474	/nfs/dbraw/zinc/58/74/74/616587474.db2.gz	QZBQOLBQNVTULI-DJLDLDEBSA-N	-1	0	290.341	0.180	20	30		CCEDRM
COC[C@H](C)S(=O)(=O)[N-]C(=O)CCCCC#N	ZINC000847646906	616629584	/nfs/dbraw/zinc/62/95/84/616629584.db2.gz	FZNVTUUTILQFSO-VIFPVBQESA-N	-1	0	262.331	0.551	20	30		CCEDRM
COC(=O)C[C@H](NC(=O)Cc1cccc(C#N)c1)C(=O)[O-]	ZINC000831129221	616696640	/nfs/dbraw/zinc/69/66/40/616696640.db2.gz	UJSBXBUXKNTNRX-NSHDSACASA-N	-1	0	290.275	0.233	20	30		CCEDRM
COCC(COC)NN=Cc1cccc(OCC(=O)[O-])c1	ZINC000863195765	616736647	/nfs/dbraw/zinc/73/66/47/616736647.db2.gz	LKQDKKQZNNMQDD-UHFFFAOYSA-N	-1	0	296.323	0.735	20	30		CCEDRM
COCC(COC)NN=Cc1ccccc1C(=O)[O-]	ZINC000863197712	616736666	/nfs/dbraw/zinc/73/66/66/616736666.db2.gz	WKUNRSHQWDYILC-UHFFFAOYSA-N	-1	0	266.297	0.970	20	30		CCEDRM
COCCn1ccc(NC(=O)[C@@](C)(C#N)CC(=O)[O-])n1	ZINC000820738687	616745833	/nfs/dbraw/zinc/74/58/33/616745833.db2.gz	RXYVEHJHKBWTIH-GFCCVEGCSA-N	-1	0	280.284	0.473	20	30		CCEDRM
COC[C@@H](C#N)OC(=O)c1cccc(-c2nn[nH]n2)c1	ZINC000826147866	616774727	/nfs/dbraw/zinc/77/47/27/616774727.db2.gz	OKBDJWMUIYSNND-SNVBAGLBSA-N	-1	0	273.252	0.562	20	30		CCEDRM
CNC(=O)C(C#N)=C([O-])c1ncn(-c2ccccc2)n1	ZINC000131267433	616777639	/nfs/dbraw/zinc/77/76/39/616777639.db2.gz	DHRYQULHAVEMOA-JTQLQIEISA-N	-1	0	269.264	0.336	20	30		CCEDRM
CNC(=O)C(C#N)=C([O-])c1cncc(N2CCCC2)n1	ZINC000870152697	616778039	/nfs/dbraw/zinc/77/80/39/616778039.db2.gz	CTQJOQDZBOXPNR-VIFPVBQESA-N	-1	0	273.296	0.145	20	30		CCEDRM
COCc1cnc(C=Nn2c(=O)[n-][nH]c2=O)s1	ZINC000814939699	616912473	/nfs/dbraw/zinc/91/24/73/616912473.db2.gz	ASNXAWHTDRLURQ-UHFFFAOYSA-N	-1	0	255.259	0.174	20	30		CCEDRM
COC(=O)[C@@H](C)n1cccc1C=Nn1c(=O)[n-][nH]c1=O	ZINC000814230979	616952548	/nfs/dbraw/zinc/95/25/48/616952548.db2.gz	GHRINSSDJDQXRW-SSDOTTSWSA-N	-1	0	279.256	0.107	20	30		CCEDRM
CO[C@H](C(=O)[O-])C(=O)N1Cc2ccc(C#N)cc2C1	ZINC000902031656	616991720	/nfs/dbraw/zinc/99/17/20/616991720.db2.gz	GNEVHQJZXOQPDX-NSHDSACASA-N	-1	0	260.249	0.500	20	30		CCEDRM
CO[C@H](C(=O)[O-])C(=O)NCc1ccc(CC#N)cc1	ZINC000901700582	616993245	/nfs/dbraw/zinc/99/32/45/616993245.db2.gz	UXNPRUWCDSQRAL-NSHDSACASA-N	-1	0	262.265	0.468	20	30		CCEDRM
COC[C@@](C)(C#N)NC(=O)C[C@@H]1CCCN1C(=O)[O-]	ZINC000828885474	617011008	/nfs/dbraw/zinc/01/10/08/617011008.db2.gz	FYUNELFMHYVIRW-JOYOIKCWSA-N	-1	0	269.301	0.564	20	30		CCEDRM
COC[C@@](C)(CC(=O)[O-])NC(=O)c1cc(C#N)c[nH]1	ZINC000831563443	617012730	/nfs/dbraw/zinc/01/27/30/617012730.db2.gz	JUSYVYVVCFASBY-GFCCVEGCSA-N	-1	0	265.269	0.496	20	30		CCEDRM
COC[C@@](C)(NC(=O)c1ccc(C#N)nc1)C(=O)[O-]	ZINC000831617843	617022954	/nfs/dbraw/zinc/02/29/54/617022954.db2.gz	VSHDJNDYFNWJCO-GFCCVEGCSA-N	-1	0	263.253	0.173	20	30		CCEDRM
CO[N-]C(=O)CNc1nc2c(cc1C#N)COCC2	ZINC000896194066	617118700	/nfs/dbraw/zinc/11/87/00/617118700.db2.gz	LQGZSFRFLJKISB-UHFFFAOYSA-N	-1	0	262.269	0.115	20	30		CCEDRM
CO[C@@H](C(=O)[O-])C(=O)N[C@@H](C)c1cccc(C#N)c1	ZINC000902728932	617128931	/nfs/dbraw/zinc/12/89/31/617128931.db2.gz	CNWCGIJEXBZPCE-GZMMTYOYSA-N	-1	0	262.265	0.835	20	30		CCEDRM
COc1cc(C(=O)NC[C@@](C)(O)C(=O)[O-])ccc1C#N	ZINC000851695011	617161886	/nfs/dbraw/zinc/16/18/86/617161886.db2.gz	XJBPOYVEHXQPNX-CYBMUJFWSA-N	-1	0	278.264	0.132	20	30		CCEDRM
CS(=O)(=O)[N-]C(=O)c1ccc(C2(C#N)CC2)cc1	ZINC000179819890	625350251	/nfs/dbraw/zinc/35/02/51/625350251.db2.gz	KKNDCPDRAVZBIN-UHFFFAOYSA-N	-1	0	264.306	0.931	20	30		CCEDRM
C#C[C@H](C)NS(=O)(=O)c1ccc(C)c(C(=O)[O-])c1	ZINC000122958909	625406058	/nfs/dbraw/zinc/40/60/58/625406058.db2.gz	XZSCNGVATQZNQX-VIFPVBQESA-N	-1	0	267.306	0.993	20	30		CCEDRM
C=CCC[C@@H](NC(=O)[C@@H](C)NC(=O)c1ccco1)C(=O)[O-]	ZINC000262974880	623132579	/nfs/dbraw/zinc/13/25/79/623132579.db2.gz	SYXXJJZFQYRGNJ-NXEZZACHSA-N	-1	0	294.307	0.934	20	30		CCEDRM
COCCNC(=O)C(C#N)=C([O-])c1ccc(F)c(OC)c1	ZINC000177687300	623445502	/nfs/dbraw/zinc/44/55/02/623445502.db2.gz	OBAVDHJUEDRLAU-JTQLQIEISA-N	-1	0	294.282	0.919	20	30		CCEDRM
C#C[C@H]1CCCCN1C(=O)c1c[n-]n2c1nccc2=O	ZINC000890656468	624547556	/nfs/dbraw/zinc/54/75/56/624547556.db2.gz	XAYVPLVQHMYNKG-JTQLQIEISA-N	-1	0	270.292	0.651	20	30		CCEDRM
C#CCN(CC(=O)[O-])S(=O)(=O)c1cc(C)ccc1OC	ZINC000092479864	624851432	/nfs/dbraw/zinc/85/14/32/624851432.db2.gz	WEOPCCWAMPMHIY-UHFFFAOYSA-N	-1	0	297.332	0.712	20	30		CCEDRM
N#Cc1cnccc1[N-]S(=O)(=O)CCCCF	ZINC000903150836	634538842	/nfs/dbraw/zinc/53/88/42/634538842.db2.gz	YFCDMKPOOCQDTH-UHFFFAOYSA-N	-1	0	257.290	0.867	20	30		CCEDRM
Cn1cc(S(=O)(=O)[N-]C(=O)CCn2cccn2)cn1	ZINC000048520033	631730557	/nfs/dbraw/zinc/73/05/57/631730557.db2.gz	KGKHFUQUJNNDAS-UHFFFAOYSA-N	-1	0	283.313	0.352	20	30		CCEDRM
CNC(=O)C(C#N)=C([O-])c1ccn(-c2ccc(OC)cc2)n1	ZINC000121407407	632490093	/nfs/dbraw/zinc/49/00/93/632490093.db2.gz	XSAFKKAXUYIQRI-GFCCVEGCSA-N	-1	0	298.302	0.949	20	30		CCEDRM
C=CCC[C@H](NC(=O)[C@@H](C)NC(=O)c1ccco1)C(=O)[O-]	ZINC000262974884	632785006	/nfs/dbraw/zinc/78/50/06/632785006.db2.gz	SYXXJJZFQYRGNJ-ZJUUUORDSA-N	-1	0	294.307	0.934	20	30		CCEDRM
Cn1nc(C(=O)[O-])cc1/C=C1\S/C(=N/C2CC2)NC1=O	ZINC000899386245	633812962	/nfs/dbraw/zinc/81/29/62/633812962.db2.gz	LMSHMXBSSZYWBK-UITAMQMPSA-N	-1	0	292.320	0.841	20	30		CCEDRM
N#CCC1(CS(=O)(=O)N2C[C@@H]3CC[C@]3(C(=O)[O-])C2)CC1	ZINC000899955008	633930072	/nfs/dbraw/zinc/93/00/72/633930072.db2.gz	QLHJOBDZLNKMAN-GWCFXTLKSA-N	-1	0	298.364	0.807	20	30		CCEDRM
Cn1nc(C(=O)[O-])cc1C=NNCC(F)(F)F	ZINC000901221228	634208746	/nfs/dbraw/zinc/20/87/46/634208746.db2.gz	WFAKFIIDBCWUGE-UHFFFAOYSA-N	-1	0	250.180	0.604	20	30		CCEDRM
N#CCCc1ccc(S(=O)(=O)N2CC(C(=O)[O-])C2)cc1	ZINC000905985148	634944417	/nfs/dbraw/zinc/94/44/17/634944417.db2.gz	DPNFPQZFVPIYDW-UHFFFAOYSA-N	-1	0	294.332	0.848	20	30		CCEDRM
C[C@@H]1CCN(S(=O)(=O)CC(C)(C)C#N)[C@H]1C(=O)[O-]	ZINC000905992815	634945525	/nfs/dbraw/zinc/94/55/25/634945525.db2.gz	WZZWTSHTUHBCFU-RKDXNWHRSA-N	-1	0	274.342	0.661	20	30		CCEDRM
CC(C)(C#N)CS(=O)(=O)N1CC2(CCC2)[C@H]1C(=O)[O-]	ZINC000905998088	634946398	/nfs/dbraw/zinc/94/63/98/634946398.db2.gz	SUKYATBQVUAXTL-SECBINFHSA-N	-1	0	286.353	0.805	20	30		CCEDRM
N#CC1(C(=O)N2C[C@H]3[C@H](C(=O)[O-])[C@H]3C2)CCSCC1	ZINC000907773024	635202615	/nfs/dbraw/zinc/20/26/15/635202615.db2.gz	UQALVVKTSLKJCU-MYJAWHEDSA-N	-1	0	280.349	0.812	20	30		CCEDRM
N#C[C@@]1(C(=O)N[C@H]2C[C@H]3C[C@H](C(=O)[O-])C[C@H]32)CCCOC1	ZINC000907968634	635253133	/nfs/dbraw/zinc/25/31/33/635253133.db2.gz	JJLXIWJFYXXLEQ-TVEHIPJCSA-N	-1	0	292.335	0.922	20	30		CCEDRM
N#Cc1ccc(OCC(=O)N2CC([C@@H](F)C(=O)[O-])C2)cc1	ZINC000910136305	635691559	/nfs/dbraw/zinc/69/15/59/635691559.db2.gz	LNQZYZKSKRQILJ-CYBMUJFWSA-N	-1	0	292.266	0.818	20	30		CCEDRM
C#CCSCCNC(=O)N[C@@](C)(C(=O)[O-])C1CC1	ZINC000227418694	637024630	/nfs/dbraw/zinc/02/46/30/637024630.db2.gz	CJBZYTLBZDTZBK-GFCCVEGCSA-N	-1	0	270.354	0.905	20	30		CCEDRM
C#CCSCCNC(=O)N[C@H](C(=O)[O-])C(C)C	ZINC000227419161	637024737	/nfs/dbraw/zinc/02/47/37/637024737.db2.gz	DGJAAGFQPSMYLV-VIFPVBQESA-N	-1	0	258.343	0.761	20	30		CCEDRM
COC(C)(C)C(=O)[N-]S(=O)(=O)c1ccc(C#N)cc1	ZINC000171697705	637141572	/nfs/dbraw/zinc/14/15/72/637141572.db2.gz	UPKMEQZCRCPQFE-UHFFFAOYSA-N	-1	0	282.321	0.788	20	30		CCEDRM
N#Cc1c[n-]c(=O)n(C[C@@H]2CC[C@@H](C(F)(F)F)O2)c1=O	ZINC000917859046	637991203	/nfs/dbraw/zinc/99/12/03/637991203.db2.gz	MGFLKSMFGRFJTI-YUMQZZPRSA-N	-1	0	289.213	0.518	20	30		CCEDRM
N#Cc1c[n-]c(=O)n(C[C@@H]2CCC3(CCC3)CO2)c1=O	ZINC000917859163	637991683	/nfs/dbraw/zinc/99/16/83/637991683.db2.gz	ORKZBOAAGMOTGW-NSHDSACASA-N	-1	0	275.308	0.758	20	30		CCEDRM
CCO[C@H]1C[C@H]1C(=O)[N-]S(=O)(=O)c1cnn(C)c1	ZINC000069643002	638397812	/nfs/dbraw/zinc/39/78/12/638397812.db2.gz	WSGFQGDEVHAIAU-BDAKNGLRSA-N	-1	0	273.314	0.490	20	30		CCEDRM
CSCCC(=O)[N-]S(=O)(=O)c1cnn(C)c1	ZINC000069642724	638398252	/nfs/dbraw/zinc/39/82/52/638398252.db2.gz	DWSOAMKFDXDWPY-UHFFFAOYSA-N	-1	0	263.344	0.818	20	30		CCEDRM
Cc1cc(C)c(C(=O)[O-])cc1C=NN1C(=O)CNC1=O	ZINC000814892234	638850967	/nfs/dbraw/zinc/85/09/67/638850967.db2.gz	AXCZUPNBXYQDKQ-UHFFFAOYSA-N	-1	0	275.264	0.887	20	30		CCEDRM
C[C@H](CN(C)C(=O)[C@@]1(C#N)CCCOC1)C(=O)[O-]	ZINC000923063231	640013061	/nfs/dbraw/zinc/01/30/61/640013061.db2.gz	WVEWIEWXCIVYKJ-BXKDBHETSA-N	-1	0	254.286	0.486	20	30		CCEDRM
N#CC1(C(=O)N2CCSC[C@H](C(=O)[O-])C2)CCC1	ZINC000923103942	640020945	/nfs/dbraw/zinc/02/09/45/640020945.db2.gz	VUFVHRFTNDQDOS-SECBINFHSA-N	-1	0	268.338	0.956	20	30		CCEDRM
C[C@@]1(C(=O)[N-]S(=O)(=O)CCCC#N)CCOC1	ZINC000755810893	640336651	/nfs/dbraw/zinc/33/66/51/640336651.db2.gz	VQIFMEFVGBLBCJ-SNVBAGLBSA-N	-1	0	260.315	0.163	20	30		CCEDRM
Cc1oc(C#N)cc1C(=O)[N-]S(=O)(=O)CC1CC1	ZINC000797949091	640472357	/nfs/dbraw/zinc/47/23/57/640472357.db2.gz	GZOQYORKZFIIGZ-UHFFFAOYSA-N	-1	0	268.294	0.929	20	30		CCEDRM
N#CC(C(=O)NC1CC1)=C([O-])c1nnc2ccccc2n1	ZINC000810530293	640937000	/nfs/dbraw/zinc/93/70/00/640937000.db2.gz	AAWHRKCXCKOUNI-SECBINFHSA-N	-1	0	281.275	0.626	20	30		CCEDRM
C#CCCCC(=O)[N-]S(=O)(=O)c1c(C)cnn1C	ZINC000813986053	641052079	/nfs/dbraw/zinc/05/20/79/641052079.db2.gz	ZWHKVVYKOJRUBJ-UHFFFAOYSA-N	-1	0	269.326	0.337	20	30		CCEDRM
Cn1cc(C=Nn2c(C(F)(F)F)n[n-]c2=S)c(=O)[nH]1	ZINC000814213306	641059977	/nfs/dbraw/zinc/05/99/77/641059977.db2.gz	HMWWAHJMDXJZCF-UHFFFAOYSA-N	-1	0	292.246	0.907	20	30		CCEDRM
Cn1cc(C=Nn2c(=O)[n-][nH]c2=O)c(C(C)(C)C)n1	ZINC000814230787	641061155	/nfs/dbraw/zinc/06/11/55/641061155.db2.gz	BAQRCAKRIBLNHA-UHFFFAOYSA-N	-1	0	264.289	0.603	20	30		CCEDRM
O=c1[n-][nH]c(=O)n1N=Cc1scnc1C1CC1	ZINC000814231923	641062556	/nfs/dbraw/zinc/06/25/56/641062556.db2.gz	RDLDECNUKTUWAE-UHFFFAOYSA-N	-1	0	251.271	0.905	20	30		CCEDRM
O=C([O-])CNN=Cc1cc2c(cc1[N+](=O)[O-])OCCO2	ZINC000814958971	641084725	/nfs/dbraw/zinc/08/47/25/641084725.db2.gz	CTZVTAHNINDPKF-UHFFFAOYSA-N	-1	0	281.224	0.374	20	30		CCEDRM
O=C([O-])CNN=Cc1nccn1Cc1ccccc1	ZINC000814958978	641084950	/nfs/dbraw/zinc/08/49/50/641084950.db2.gz	DIWBPMIILQSVNW-UHFFFAOYSA-N	-1	0	258.281	0.940	20	30		CCEDRM
C[C@@H](Oc1cccc(C=NNC[C@H](C)O)c1)C(=O)[O-]	ZINC000814963608	641086195	/nfs/dbraw/zinc/08/61/95/641086195.db2.gz	NSUURUNPIXIJSH-VHSXEESVSA-N	-1	0	266.297	0.843	20	30		CCEDRM
Cc1cc(C#N)cnc1C(=O)[N-]S(=O)(=O)C(C)C	ZINC000815926558	641130732	/nfs/dbraw/zinc/13/07/32/641130732.db2.gz	UEFCXBVRWVZYOR-UHFFFAOYSA-N	-1	0	267.310	0.730	20	30		CCEDRM
O=C(N[C@@H]1CCN(O)C1=O)[C@H]1CC2CCC1CC2	ZINC000820138320	641469774	/nfs/dbraw/zinc/46/97/74/641469774.db2.gz	YMQVMVKPJQOEBP-WFBLGPOFSA-N	-1	0	252.314	0.919	20	30		CCEDRM
O=C(N[C@H]1CCN(O)C1=O)[C@H]1CC2CCC1CC2	ZINC000820138318	641469852	/nfs/dbraw/zinc/46/98/52/641469852.db2.gz	YMQVMVKPJQOEBP-TVUZUIDESA-N	-1	0	252.314	0.919	20	30		CCEDRM
C[C@@H](CC(=O)[N-]S(=O)(=O)CC(C)(C)C#N)n1cccn1	ZINC000820509812	641512662	/nfs/dbraw/zinc/51/26/62/641512662.db2.gz	OLYGXKFDMFJZJJ-JTQLQIEISA-N	-1	0	298.368	0.830	20	30		CCEDRM
C[C@@H](CC(=O)[N-]S(=O)(=O)CC1(C#N)CC1)n1cccn1	ZINC000820593683	641520062	/nfs/dbraw/zinc/52/00/62/641520062.db2.gz	MRRIJJZSUVJCQK-JTQLQIEISA-N	-1	0	296.352	0.584	20	30		CCEDRM
N#Cc1ccc(C(=O)OCc2cn(CC(=O)[O-])nn2)cc1	ZINC000821329682	641585074	/nfs/dbraw/zinc/58/50/74/641585074.db2.gz	FDCXZJKMOLPYPC-UHFFFAOYSA-N	-1	0	286.247	0.591	20	30		CCEDRM
N#CCCS(=O)(=O)[N-]C(=O)c1cccc(C#N)c1	ZINC000821582690	641611542	/nfs/dbraw/zinc/61/15/42/641611542.db2.gz	VBPIJIJEHFZOAP-UHFFFAOYSA-N	-1	0	263.278	0.532	20	30		CCEDRM
c1cc(-c2nn[nH]n2)ccc1CNN=C1CCOC1	ZINC000823742215	641787254	/nfs/dbraw/zinc/78/72/54/641787254.db2.gz	AXVOYLDCSFZMHC-UHFFFAOYSA-N	-1	0	258.285	0.733	20	30		CCEDRM
N#Cc1c(-c2nnn[n-]2)ncn1Cc1ccc(F)cc1C#N	ZINC000826384326	641932505	/nfs/dbraw/zinc/93/25/05/641932505.db2.gz	QVKQHEXUPIYGTK-UHFFFAOYSA-N	-1	0	294.253	0.994	20	30		CCEDRM
Cc1[nH]c(C#N)cc1C(=O)[N-]S(=O)(=O)N1CCCC1	ZINC000835099507	642647964	/nfs/dbraw/zinc/64/79/64/642647964.db2.gz	YPSDBFSUEBZYKV-UHFFFAOYSA-N	-1	0	282.325	0.265	20	30		CCEDRM
N#CCCS(=O)(=O)[N-]C(=O)[C@@H]1OCCc2ccccc21	ZINC000835409907	642660672	/nfs/dbraw/zinc/66/06/72/642660672.db2.gz	BQIKHKQIRJAKJQ-GFCCVEGCSA-N	-1	0	294.332	0.660	20	30		CCEDRM
C[C@H](CO)N(C)N=Cc1[nH]nc2cc(C(=O)[O-])ccc21	ZINC000842541156	642908809	/nfs/dbraw/zinc/90/88/09/642908809.db2.gz	FYTNVLOZQVGROY-MRVPVSSYSA-N	-1	0	276.296	0.908	20	30		CCEDRM
C[C@H](CC#N)N(C)S(=O)(=O)N[C@@H](CC(=O)[O-])C1CC1	ZINC000844789032	643248385	/nfs/dbraw/zinc/24/83/85/643248385.db2.gz	IGVXHPLKIWJQPI-SCZZXKLOSA-N	-1	0	289.357	0.308	20	30		CCEDRM
N#CCCCC(=O)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cn1	ZINC000847893620	643563888	/nfs/dbraw/zinc/56/38/88/643563888.db2.gz	CJZUZKVMSPIOLP-UHFFFAOYSA-N	-1	0	298.280	0.489	20	30		CCEDRM
N#CC(C(=O)N1CCCC1)=C([O-])c1cnc2n1CCC2	ZINC000850752082	643811459	/nfs/dbraw/zinc/81/14/59/643811459.db2.gz	KQPGVBMTLBGKLR-JTQLQIEISA-N	-1	0	272.308	0.774	20	30		CCEDRM
C[C@H](CC#N)C(=O)[N-]S(=O)(=O)N1CCCCC1	ZINC000850788886	643813272	/nfs/dbraw/zinc/81/32/72/643813272.db2.gz	JJEXOWKURKNNRH-SECBINFHSA-N	-1	0	259.331	0.383	20	30		CCEDRM
N#CC1(CS(=O)(=O)[N-]C(=O)c2cnc3n2CCC3)CC1	ZINC000850939807	643822835	/nfs/dbraw/zinc/82/28/35/643822835.db2.gz	BVHHULJWYAECNN-UHFFFAOYSA-N	-1	0	294.336	0.193	20	30		CCEDRM
N#Cc1csc(C(=O)[N-]S(=O)(=O)CC(F)F)c1	ZINC000851361126	643842558	/nfs/dbraw/zinc/84/25/58/643842558.db2.gz	FFKIKUSITRJAJC-UHFFFAOYSA-N	-1	0	280.277	0.944	20	30		CCEDRM
C[C@@]1(C#N)CCN(C(=O)C(=O)N2CC[C@](C)(C(=O)[O-])C2)C1	ZINC000852915011	644056672	/nfs/dbraw/zinc/05/66/72/644056672.db2.gz	NEQHJXKFVXZQTP-KBPBESRZSA-N	-1	0	293.323	0.072	20	30		CCEDRM
N#Cc1ccc(S(=O)(=O)[N-]N2CCCC2=O)cc1F	ZINC000867593067	645636421	/nfs/dbraw/zinc/63/64/21/645636421.db2.gz	OQDZLKHRLKIJBA-UHFFFAOYSA-N	-1	0	283.284	0.513	20	30		CCEDRM
CC#CCS(=O)(=O)[N-]C(=O)c1cccn(C2CC2)c1=O	ZINC000870332078	645983838	/nfs/dbraw/zinc/98/38/38/645983838.db2.gz	RKTBBNACDHBAPN-UHFFFAOYSA-N	-1	0	294.332	0.266	20	30		CCEDRM
Cc1cccc(C#N)c1S(=O)(=O)N(C)CCC(=O)[O-]	ZINC000871636376	646161392	/nfs/dbraw/zinc/16/13/92/646161392.db2.gz	JETZHPGEWRKSSE-UHFFFAOYSA-N	-1	0	282.321	0.962	20	30		CCEDRM
C[C@@H](C#N)Cn1[n-]c2c(c1=O)CC1(CC2)OCCO1	ZINC000887284907	648087509	/nfs/dbraw/zinc/08/75/09/648087509.db2.gz	DSFMAUYTLVGFSH-UWVGGRQHSA-N	-1	0	263.297	0.887	20	30		CCEDRM
N#CCCCS(=O)(=O)N1CCC[C@@H]2C[C@@]21C(=O)[O-]	ZINC000926609224	648512690	/nfs/dbraw/zinc/51/26/90/648512690.db2.gz	PYBKJUZAOKHAFP-KOLCDFICSA-N	-1	0	272.326	0.559	20	30		CCEDRM
CS(=O)(=O)[N-]C(=O)Cc1ccc(-n2cnnn2)cc1	ZINC000042280678	649287868	/nfs/dbraw/zinc/28/78/68/649287868.db2.gz	YTCSUVHCYMRECM-UHFFFAOYSA-N	-1	0	281.297	0.121	20	30		CCEDRM
N#Cc1nc(N)n(CC(=O)[N-]OCc2ccccc2)c1C#N	ZINC000193060580	649523655	/nfs/dbraw/zinc/52/36/55/649523655.db2.gz	UUKSNLMBXLHBIQ-UHFFFAOYSA-N	-1	0	296.290	0.457	20	30		CCEDRM
COCCNC(=O)C(C#N)=C([O-])c1cc(C)oc1C	ZINC000193412751	649536868	/nfs/dbraw/zinc/53/68/68/649536868.db2.gz	TXYYJHUOHHMTSU-NSHDSACASA-N	-1	0	264.281	0.982	20	30		CCEDRM
N#Cc1cc(F)ccc1N1CCOC[C@H]1C(=O)[O-]	ZINC000088377453	649639519	/nfs/dbraw/zinc/63/95/19/649639519.db2.gz	RKHSEDORLFOAIH-NSHDSACASA-N	-1	0	250.229	0.987	20	30		CCEDRM
C=CCNC(=O)NC(=O)[C@@H](C)S[C@H](C)C(=O)[O-]	ZINC001588465662	958507329	/nfs/dbraw/zinc/50/73/29/958507329.db2.gz	WGVQSLYZUVMTBZ-RNFRBKRXSA-N	-1	0	260.315	0.593	20	30		CCEDRM
C#C[C@H](Oc1nc(Cl)[n-]c(=O)n1)C(=O)OCC	ZINC001230240120	805587815	/nfs/dbraw/zinc/58/78/15/805587815.db2.gz	GVIUHRGQYUYVQB-YFKPBYRVSA-N	-1	0	257.633	0.174	20	30		CCEDRM
Cc1nc(C#N)cc(NCCSCC(=O)[O-])n1	ZINC000308333468	963268162	/nfs/dbraw/zinc/26/81/62/963268162.db2.gz	JZLYIAQDKBLVPH-UHFFFAOYSA-N	-1	0	252.299	0.886	20	30		CCEDRM
N#C[C@@H]1CN(Cc2cc(C(=O)[O-])ccc2O)CCO1	ZINC001231566140	805817530	/nfs/dbraw/zinc/81/75/30/805817530.db2.gz	RSFUSNFGGHJDED-LLVKDONJSA-N	-1	0	262.265	0.815	20	30		CCEDRM
CCN1C(=O)CN(Cc2ccc(C#N)cc2O)CC1=O	ZINC001233383757	806051509	/nfs/dbraw/zinc/05/15/09/806051509.db2.gz	VBGMZMNJBLREEN-UHFFFAOYSA-N	-1	0	273.292	0.455	20	30		CCEDRM
N#Cc1ccc(CN2CCS(=O)(=O)CC2)c(O)c1	ZINC001233384295	806051937	/nfs/dbraw/zinc/05/19/37/806051937.db2.gz	PZWCRDGUYJQTRC-UHFFFAOYSA-N	-1	0	266.322	0.494	20	30		CCEDRM
COC(=O)C1=NC(C(=O)OC)C([O-])=C1O[C@H](C)CS	ZINC001234355221	806230888	/nfs/dbraw/zinc/23/08/88/806230888.db2.gz	MTMXDCMEXOGKFM-RXMQYKEDSA-N	-1	0	289.309	0.991	20	30		CCEDRM
Cn1c(=O)[n-]c(NC[C@H]2CCC=CO2)c(C#N)c1=O	ZINC001120839291	798947108	/nfs/dbraw/zinc/94/71/08/798947108.db2.gz	QHWAOBLNDCBXRJ-MRVPVSSYSA-N	-1	0	262.269	0.050	20	30		CCEDRM
CCN(CCSC)c1[n-]c(=O)n(C)c(=O)c1C#N	ZINC001120857650	798950379	/nfs/dbraw/zinc/95/03/79/798950379.db2.gz	JLUBVCLZMIXOMH-UHFFFAOYSA-N	-1	0	268.342	0.135	20	30		CCEDRM
C=CCn1c(-c2noc(=O)[nH]2)nnc1N1C[C@H](C)[C@H](C)C1	ZINC001121578097	799058913	/nfs/dbraw/zinc/05/89/13/799058913.db2.gz	FSFVBXUYBQKLAZ-DTORHVGOSA-N	-1	0	290.327	0.900	20	30		CCEDRM
COCCNC(=O)C(C#N)=C([O-])c1ccsn1	ZINC001122541348	799259339	/nfs/dbraw/zinc/25/93/39/799259339.db2.gz	PXJWYHXMAMTDKR-SSDOTTSWSA-N	-1	0	253.283	0.228	20	30		CCEDRM
C[C@H](C(=O)C(C#N)=C([O-])c1nccn1C)c1cnn(C)c1	ZINC001122631925	799277351	/nfs/dbraw/zinc/27/73/51/799277351.db2.gz	LAFJUADYSSVYBC-GXSJLCMTSA-N	-1	0	285.307	0.849	20	30		CCEDRM
N#CC(=C([O-])c1cn(C2CC2)nn1)c1ccncn1	ZINC001122657814	799281504	/nfs/dbraw/zinc/28/15/04/799281504.db2.gz	LXLGITJBQQOLGK-SECBINFHSA-N	-1	0	254.253	0.893	20	30		CCEDRM
CNC(=O)C(C#N)=C([O-])c1cccc(C[S@](C)=O)c1	ZINC001122707494	799287354	/nfs/dbraw/zinc/28/73/54/799287354.db2.gz	LJMVYSSUGZVQRA-WYRIXSBYSA-N	-1	0	278.333	0.634	20	30		CCEDRM
C=C(C)CO[C@@H](CN1CCOCC1)CS(=O)(=O)[O-]	ZINC001206742700	799883952	/nfs/dbraw/zinc/88/39/52/799883952.db2.gz	HCJVUSBKGAFGCX-NSHDSACASA-N	-1	0	279.358	0.168	20	30		CCEDRM
N#Cc1ccc(C(=O)Nn2c(=O)[n-][nH]c2=O)c(F)c1	ZINC001141573518	800021006	/nfs/dbraw/zinc/02/10/06/800021006.db2.gz	DAHQDYMXQWJEGN-UHFFFAOYSA-N	-1	0	263.188	0.084	20	30		CCEDRM
Cc1cc(C#N)c(=O)[n-]c1C(=O)NCc1cc[nH]n1	ZINC001141688011	800028486	/nfs/dbraw/zinc/02/84/86/800028486.db2.gz	BBLBOLMDSNVRGJ-UHFFFAOYSA-N	-1	0	257.253	0.620	20	30		CCEDRM
C#CC[C@@H](NC(=O)c1cccc(F)c1[O-])C(=O)OC	ZINC001141998024	800055431	/nfs/dbraw/zinc/05/54/31/800055431.db2.gz	FUYOEQDTRXYOJG-SNVBAGLBSA-N	-1	0	265.240	0.826	20	30		CCEDRM
Cc1cc(C#N)c(=O)[n-]c1C(=O)N[C@@]1(C)CCOC1	ZINC001150953248	800380408	/nfs/dbraw/zinc/38/04/08/800380408.db2.gz	CYONQLGQXZCPSJ-ZDUSSCGKSA-N	-1	0	261.281	0.876	20	30		CCEDRM
N#Cc1ccc2[n-]c(C(=O)Nc3nonc3N)cc(=O)c2c1	ZINC001154552680	800799212	/nfs/dbraw/zinc/79/92/12/800799212.db2.gz	ZPVPKXCKZIWKFH-UHFFFAOYSA-N	-1	0	296.246	0.617	20	30		CCEDRM
COC[C@H](NC(=O)C#Cc1cccs1)c1nnn[n-]1	ZINC001155069426	800902748	/nfs/dbraw/zinc/90/27/48/800902748.db2.gz	PSADNYDNTUEEAJ-VIFPVBQESA-N	-1	0	277.309	0.117	20	30		CCEDRM
Cc1cnc(NCC[N-]C(=O)C(F)(F)F)c(C#N)n1	ZINC001156203324	801129346	/nfs/dbraw/zinc/12/93/46/801129346.db2.gz	ONFANKIYWNIOIG-UHFFFAOYSA-N	-1	0	273.218	0.747	20	30		CCEDRM
N#Cc1c(Cl)nccc1C(F)(F)N[C@@H]1CO[N-]C1=O	ZINC001156685756	801211880	/nfs/dbraw/zinc/21/18/80/801211880.db2.gz	QXFRISIKULHKGN-SSDOTTSWSA-N	-1	0	288.641	0.676	20	30		CCEDRM
C=CCO[N-]C(=O)[C@@H](C)S(=O)(=O)C1CCOCC1	ZINC001158208268	801595847	/nfs/dbraw/zinc/59/58/47/801595847.db2.gz	DHGIPDSDCBVMEY-SECBINFHSA-N	-1	0	277.342	0.203	20	30		CCEDRM
N#CCNCCCNC(=O)c1cc(=O)c2ccccc2[nH]1	ZINC001162030038	802266895	/nfs/dbraw/zinc/26/68/95/802266895.db2.gz	SMYWHNJGRDQSOW-UHFFFAOYSA-N	-1	0	284.319	0.761	20	30		CCEDRM
C=CCS(=O)(=O)[N-]c1ncccc1C(=O)OC	ZINC001259922640	808804452	/nfs/dbraw/zinc/80/44/52/808804452.db2.gz	PCSBPVQYMSLFFX-UHFFFAOYSA-N	-1	0	256.283	0.796	20	30		CCEDRM
C=CCS(=O)(=O)[N-]c1ccccc1C(=O)NOC	ZINC001259932204	808808864	/nfs/dbraw/zinc/80/88/64/808808864.db2.gz	VJUBTEIYXTXVKY-UHFFFAOYSA-N	-1	0	270.310	0.906	20	30		CCEDRM
N#CCc1nc(Cl)cc(N[C@@H]2SC(=O)[N-]C2=O)n1	ZINC001163661980	802583551	/nfs/dbraw/zinc/58/35/51/802583551.db2.gz	IGFGNISBYGXMCL-MRVPVSSYSA-N	-1	0	283.700	0.917	20	30		CCEDRM
N#Cc1nc(N[C@H]2SC(=O)[N-]C2=O)cc2nc[nH]c21	ZINC001163662264	802584648	/nfs/dbraw/zinc/58/46/48/802584648.db2.gz	MGYTXFPLRLJWHO-VIFPVBQESA-N	-1	0	274.265	0.551	20	30		CCEDRM
Cc1nnc(N[C@H]2SC(=O)[N-]C2=O)c(C#N)c1C	ZINC001163662020	802585377	/nfs/dbraw/zinc/58/53/77/802585377.db2.gz	ISIDYXBFPARWCT-VIFPVBQESA-N	-1	0	263.282	0.686	20	30		CCEDRM
N#Cc1cnccc1[N-]S(=O)(=O)c1cc(F)ccc1N	ZINC001214018294	803712650	/nfs/dbraw/zinc/71/26/50/803712650.db2.gz	NDNRIECUXKAGNG-UHFFFAOYSA-N	-1	0	292.295	0.897	20	30		CCEDRM
Nc1nonc1C(=Nc1ccc(F)c(C(=O)[O-])c1F)NO	ZINC001215266018	803787197	/nfs/dbraw/zinc/78/71/97/803787197.db2.gz	GQHLXJLZZDSZLA-UHFFFAOYSA-N	-1	0	299.193	0.685	20	30		CCEDRM
C=CCOCCNS(=O)(=O)[C@H]1CCC[C@H]1C(=O)[O-]	ZINC001465107979	804095193	/nfs/dbraw/zinc/09/51/93/804095193.db2.gz	WFCLUSTZJIOJHN-ZJUUUORDSA-N	-1	0	277.342	0.362	20	30		CCEDRM
C=CCC[C@@H](NC(=O)NCCc1cn(C)cn1)C(=O)[O-]	ZINC000316471821	804701364	/nfs/dbraw/zinc/70/13/64/804701364.db2.gz	OENNRHIEBQERJJ-LLVKDONJSA-N	-1	0	280.328	0.681	20	30		CCEDRM
C=C(C)C[C@@H](Oc1c([O-])c(=O)c(=O)c1=O)C(=C)C	ZINC001225830052	805166699	/nfs/dbraw/zinc/16/66/99/805166699.db2.gz	DIGOMKDPZPCDCL-MRVPVSSYSA-N	-1	0	250.250	0.638	20	30		CCEDRM
C#C[C@H](Oc1nc(C)[n-]c(=O)c1F)C(=O)OCC	ZINC001226423381	805228886	/nfs/dbraw/zinc/22/88/86/805228886.db2.gz	HIDPYHUKWGGPTL-ZETCQYMHSA-N	-1	0	254.217	0.573	20	30		CCEDRM
C=CCOC[C@H](CS(=O)(=O)[O-])Oc1nnc(C)o1	ZINC001226459196	805233240	/nfs/dbraw/zinc/23/32/40/805233240.db2.gz	NYHJDPGZCRQVGY-MRVPVSSYSA-N	-1	0	278.286	0.216	20	30		CCEDRM
C#C[C@@H](Oc1nc2ncnc-2c(S)[n-]1)C(=O)OCC	ZINC001226787521	805282603	/nfs/dbraw/zinc/28/26/03/805282603.db2.gz	ZZQHNTKKZIGYEP-ZCFIWIBFSA-N	-1	0	278.293	0.585	20	30		CCEDRM
CC[C@@H](C#CC(=O)OC)Oc1cc(=O)[n-]c(OC)n1	ZINC001227002254	805308420	/nfs/dbraw/zinc/30/84/20/805308420.db2.gz	OLBDSJXEQYPJAB-QMMMGPOBSA-N	-1	0	266.253	0.525	20	30		CCEDRM
C=CCOC[C@@H](CS(=O)(=O)[O-])Oc1ncc(C)cn1	ZINC001227053749	805313654	/nfs/dbraw/zinc/31/36/54/805313654.db2.gz	OVEAGBNJCRJUJF-JTQLQIEISA-N	-1	0	288.325	0.623	20	30		CCEDRM
C=CCOC[C@@H](CS(=O)(=O)[O-])Oc1cnc[nH]c1=O	ZINC001227048690	805314375	/nfs/dbraw/zinc/31/43/75/805314375.db2.gz	JASSFXOPMYDOBY-QMMMGPOBSA-N	-1	0	290.297	0.020	20	30		CCEDRM
N#Cc1ccc2[nH]c(OC(=O)[C@H](O)CCC(=O)[O-])nc2c1	ZINC001227215457	805332284	/nfs/dbraw/zinc/33/22/84/805332284.db2.gz	CHGOOQJJFWETPO-SNVBAGLBSA-N	-1	0	289.247	0.566	20	30		CCEDRM
CN1[C@@H]2C[C@@H](Oc3[n-]c(=O)nc4cc[nH]c43)C[C@H]1[C@@H]1O[C@@H]12	ZINC001227810421	805393885	/nfs/dbraw/zinc/39/38/85/805393885.db2.gz	VOMLHMFBISXQBY-MOGLMSHVSA-N	-1	0	288.307	0.655	20	30		CCEDRM
N#Cc1ccc(=O)[n-]c1O[C@H]1CCS(=O)(=O)C1	ZINC001228900699	805487606	/nfs/dbraw/zinc/48/76/06/805487606.db2.gz	HCKWEJHXTIWQIN-QMMMGPOBSA-N	-1	0	254.267	0.225	20	30		CCEDRM
N#CCN1CC[C@@H](Oc2cc(O)cc([O-])c2[N+](=O)[O-])C1	ZINC001228971891	805493824	/nfs/dbraw/zinc/49/38/24/805493824.db2.gz	SPBCUGIQUWXGEX-SECBINFHSA-N	-1	0	279.252	0.983	20	30		CCEDRM
N#Cc1ccc([N+](=O)[O-])c(OC(=O)[C@H](O)CCC(=O)[O-])c1	ZINC001229189545	805510702	/nfs/dbraw/zinc/51/07/02/805510702.db2.gz	YDVBOZPVLQFFII-SECBINFHSA-N	-1	0	294.219	0.598	20	30		CCEDRM
C=CCOC[C@@H](CS(=O)(=O)[O-])Oc1c[nH]ccc1=O	ZINC001229511047	805538741	/nfs/dbraw/zinc/53/87/41/805538741.db2.gz	YJTWNHOWLROFAB-VIFPVBQESA-N	-1	0	289.309	0.213	20	30		CCEDRM
N#Cc1cccc(-c2cc(=O)n(C(=O)C(N)=O)[n-]2)c1	ZINC001245937810	807101514	/nfs/dbraw/zinc/10/15/14/807101514.db2.gz	VYPNMISRKFZWAQ-UHFFFAOYSA-N	-1	0	256.221	0.253	20	30		CCEDRM
CN1CCC(C#N)([N-]S(=O)(=O)C(F)(F)F)CC1	ZINC001252400534	807818666	/nfs/dbraw/zinc/81/86/66/807818666.db2.gz	BPFVOQJPTOVLKR-UHFFFAOYSA-N	-1	0	271.264	0.414	20	30		CCEDRM
CC(C)S(=O)(=O)[N-]c1c(C#N)cnc2c(C#N)cnn21	ZINC001252432849	807848137	/nfs/dbraw/zinc/84/81/37/807848137.db2.gz	GPXZILNGFMNOSB-UHFFFAOYSA-N	-1	0	290.308	0.623	20	30		CCEDRM
C=C[C@](C)(O)CNc1ccc(C(=O)NCC(=O)[O-])cc1	ZINC001252567737	807912220	/nfs/dbraw/zinc/91/22/20/807912220.db2.gz	ATTALXQVHOJYQB-AWEZNQCLSA-N	-1	0	278.308	0.850	20	30		CCEDRM
N#Cc1cnc([N-]S(=O)(=O)CC(F)(F)F)cn1	ZINC001253101705	808004035	/nfs/dbraw/zinc/00/40/35/808004035.db2.gz	FTZHHGBXUCVWOQ-UHFFFAOYSA-N	-1	0	266.204	0.652	20	30		CCEDRM
Cc1nc(C#N)cnc1[N-]S(=O)(=O)CC(F)(F)F	ZINC001253117958	808006757	/nfs/dbraw/zinc/00/67/57/808006757.db2.gz	IPMFCASHVKRNHT-UHFFFAOYSA-N	-1	0	280.231	0.961	20	30		CCEDRM
N#Cc1ccccc1S(=O)(=O)[N-]c1ncnn2cccc12	ZINC001258201576	808663958	/nfs/dbraw/zinc/66/39/58/808663958.db2.gz	IHZMUGAZHYDEAL-UHFFFAOYSA-N	-1	0	299.315	0.824	20	30		CCEDRM
Cc1noc(C)c1S(=O)(=O)[N-]c1cnn(C)c1C#N	ZINC001258536580	808693277	/nfs/dbraw/zinc/69/32/77/808693277.db2.gz	NXQKHRXBNIXFMF-UHFFFAOYSA-N	-1	0	281.297	0.697	20	30		CCEDRM
Cn1cnc(S(=O)(=O)[N-]c2cc(F)cnc2C#N)c1	ZINC001258994522	808707742	/nfs/dbraw/zinc/70/77/42/808707742.db2.gz	YYTIRTOOUPNWKQ-UHFFFAOYSA-N	-1	0	281.272	0.627	20	30		CCEDRM
C#CCCCCNC(=O)C(=O)[N-]OCCSC	ZINC001259790744	808769632	/nfs/dbraw/zinc/76/96/32/808769632.db2.gz	KPRQGGXJUJFXPG-UHFFFAOYSA-N	-1	0	258.343	0.317	20	30		CCEDRM
NS(=O)(=O)[N-]C1=C(Cl)C(=O)c2ccccc2C1=O	ZINC001260083407	808849532	/nfs/dbraw/zinc/84/95/32/808849532.db2.gz	OIOBWVFAECSKNS-UHFFFAOYSA-N	-1	0	286.696	0.309	20	30		CCEDRM
O=C([O-])c1ccc(F)c(S(=O)(=O)NCCS)c1	ZINC001260217069	808857457	/nfs/dbraw/zinc/85/74/57/808857457.db2.gz	QORMALIOKYMKOM-UHFFFAOYSA-N	-1	0	279.314	0.732	20	30		CCEDRM
Cn1nccc1[C@H](NC(=O)CCCCC#N)C(=O)[O-]	ZINC001261552734	809018861	/nfs/dbraw/zinc/01/88/61/809018861.db2.gz	BYZMCJWCTOLUKO-NSHDSACASA-N	-1	0	264.285	0.746	20	30		CCEDRM
C=CCO[C@H]1CCN(C(=O)C[C@@]2(C(=O)[O-])CCOC2)C1	ZINC001261901318	809123720	/nfs/dbraw/zinc/12/37/20/809123720.db2.gz	UUAOYZHYUSLXBG-FZMZJTMJSA-N	-1	0	283.324	0.671	20	30		CCEDRM
C=CCn1c(-c2cc(=O)[nH][n-]2)nnc1N1CCC[C@@H](C)C1	ZINC001262969684	809424903	/nfs/dbraw/zinc/42/49/03/809424903.db2.gz	OGYPLEQJDSQSBW-SNVBAGLBSA-N	-1	0	288.355	0.924	20	30		CCEDRM
CC(C)NC(=O)C(C#N)=C([O-])c1ccoc1CC(N)=O	ZINC001263293798	809504017	/nfs/dbraw/zinc/50/40/17/809504017.db2.gz	ASAFGGPEGZYGQP-VIFPVBQESA-N	-1	0	277.280	0.154	20	30		CCEDRM
C=CCNC(=O)C(C#N)=C([O-])c1cnc(C2CC2)nc1	ZINC001263307363	809506646	/nfs/dbraw/zinc/50/66/46/809506646.db2.gz	YKLBNECJQSAXED-LLVKDONJSA-N	-1	0	270.292	0.979	20	30		CCEDRM
C=C(Cl)CNS(=O)(=O)N1CCC[C@@H](C(=O)[O-])C1	ZINC000160971919	815441330	/nfs/dbraw/zinc/44/13/30/815441330.db2.gz	ONDBGNNYWOFNAC-MRVPVSSYSA-N	-1	0	282.749	0.370	20	30		CCEDRM
C=CCNC(=O)CNC(=O)Nc1cncc(C(=O)[O-])c1	ZINC000393794127	811476026	/nfs/dbraw/zinc/47/60/26/811476026.db2.gz	GXFKNZGVZKJSEJ-UHFFFAOYSA-N	-1	0	278.268	0.204	20	30		CCEDRM
C[C@@]1(C#N)CCN(C(=O)N[C@H]2C[C@@H](C(=O)[O-])C2)C1	ZINC000694558812	811478165	/nfs/dbraw/zinc/47/81/65/811478165.db2.gz	COPBWDKFZSNZTE-SBMIAAHKSA-N	-1	0	251.286	0.795	20	30		CCEDRM
C[C@@H](CN(C)CC#N)NC(=O)c1ccc2oc(=O)nc-2[n-]1	ZINC001268750482	813062172	/nfs/dbraw/zinc/06/21/72/813062172.db2.gz	BIYFUALHMXZDPZ-QMMMGPOBSA-N	-1	0	289.295	0.502	20	30		CCEDRM
C=C[C@@H](Oc1[nH]ccc(=O)c1[N+](=O)[O-])C(=O)OC	ZINC001225666113	813303104	/nfs/dbraw/zinc/30/31/04/813303104.db2.gz	GKAWLQLRRRDJDO-SSDOTTSWSA-N	-1	0	254.198	0.802	20	30		CCEDRM
C=CCOC[C@H](CS(=O)(=O)[O-])Oc1cc(C)[nH]n1	ZINC001226662687	814071478	/nfs/dbraw/zinc/07/14/78/814071478.db2.gz	IFMCDRLZCOCCFF-SECBINFHSA-N	-1	0	276.314	0.556	20	30		CCEDRM
C=CCCSCCNC(=O)N1CCOC[C@H]1C(=O)[O-]	ZINC000696046187	815938699	/nfs/dbraw/zinc/93/86/99/815938699.db2.gz	RFQSJPKGRMOFGA-JTQLQIEISA-N	-1	0	288.369	0.791	20	30		CCEDRM
C#CCCCNC(=O)N1CC[C@](COC)(C(=O)[O-])C1	ZINC000388292926	816628270	/nfs/dbraw/zinc/62/82/70/816628270.db2.gz	XCYTYUMODARNLE-ZDUSSCGKSA-N	-1	0	268.313	0.533	20	30		CCEDRM
CCn1ccnc1C(C#N)=C([O-])c1nnn(C)c1C	ZINC001123337585	816922571	/nfs/dbraw/zinc/92/25/71/816922571.db2.gz	IHDCQQZRHJLXSJ-SECBINFHSA-N	-1	0	258.285	0.830	20	30		CCEDRM
C=CCN(CC(=O)[O-])C(=O)N[C@H]1CO[C@@H](C2CC2)C1	ZINC000691258780	817580029	/nfs/dbraw/zinc/58/00/29/817580029.db2.gz	YTRHJMCBFWSETC-GHMZBOCLSA-N	-1	0	268.313	0.836	20	30		CCEDRM
CC#CCCNC(=O)N1C[C@@H](OC)C[C@@]1(C)C(=O)[O-]	ZINC000702729859	819169506	/nfs/dbraw/zinc/16/95/06/819169506.db2.gz	WPFKGYZACKZMPB-GWCFXTLKSA-N	-1	0	268.313	0.673	20	30		CCEDRM
C=C(CC)CNC(=O)Cn1[n-]cc2c(=O)ncnc1-2	ZINC001129839152	837572598	/nfs/dbraw/zinc/57/25/98/837572598.db2.gz	JFLFJKVYXCEZRK-UHFFFAOYSA-N	-1	0	261.285	0.154	20	30		CCEDRM
Cc1[nH]nc(C(=O)N2CC[C@@H](CNCC#N)[C@@H](C)C2)c1[O-]	ZINC001184200349	844176980	/nfs/dbraw/zinc/17/69/80/844176980.db2.gz	UIWRIRUKFNZIGH-ONGXEEELSA-N	-1	0	291.355	0.635	20	30		CCEDRM
C[C@]1(CO)CCN(C(=O)CCC(=O)C2=CC=C[CH]2)C[C@@H]1O	ZINC001184244657	844187331	/nfs/dbraw/zinc/18/73/31/844187331.db2.gz	KRSKUIAPROXZFV-GOEBONIOSA-N	-1	0	292.355	0.628	20	30		CCEDRM
N#C[C@H]1COCCN1C(=O)c1[nH]c(=O)ccc1Cl	ZINC001184807953	844288387	/nfs/dbraw/zinc/28/83/87/844288387.db2.gz	QSDUVLKZXMCJKT-ZETCQYMHSA-N	-1	0	267.672	0.231	20	30		CCEDRM
Cc1[nH]nc(C(=O)N2CC[C@H](C)[C@H](CNCC#N)C2)c1[O-]	ZINC001132751724	838486708	/nfs/dbraw/zinc/48/67/08/838486708.db2.gz	KNTVSNYJSCIYTN-GXSJLCMTSA-N	-1	0	291.355	0.635	20	30		CCEDRM
Cc1cc(C#N)c(=O)[n-]c1C(=O)N1CCN(C)CC1	ZINC001135438140	839249770	/nfs/dbraw/zinc/24/97/70/839249770.db2.gz	RPOGESNRMFTJME-UHFFFAOYSA-N	-1	0	260.297	0.355	20	30		CCEDRM
Cc1nc(NC(=O)c2[n-]c(=O)c(C#N)cc2C)n[nH]1	ZINC001136604711	839672249	/nfs/dbraw/zinc/67/22/49/839672249.db2.gz	OXEYTXQEIXRHOJ-UHFFFAOYSA-N	-1	0	258.241	0.646	20	30		CCEDRM
O=C(C#Cc1cccs1)N1CCO[C@H](c2nnn[n-]2)C1	ZINC001136655778	839696398	/nfs/dbraw/zinc/69/63/98/839696398.db2.gz	HHOHPBCJXKTSKV-JTQLQIEISA-N	-1	0	289.320	0.213	20	30		CCEDRM
C=C[C@@H](O)C(=O)Nc1ccc(OCc2nnn[n-]2)cc1	ZINC001147000478	840442107	/nfs/dbraw/zinc/44/21/07/840442107.db2.gz	JQNAHNSDNKZTFX-SNVBAGLBSA-N	-1	0	275.268	0.264	20	30		CCEDRM
C#CCO[N-]C(=O)CNC(=O)Nc1cccc([N+](=O)[O-])c1	ZINC001147032459	840474967	/nfs/dbraw/zinc/47/49/67/840474967.db2.gz	ASRUHJDUVSKICM-UHFFFAOYSA-N	-1	0	292.251	0.397	20	30		CCEDRM
O=C(C=Cc1ccc(F)cc1)C(=O)Nc1nnn[n-]1	ZINC001147751589	840682943	/nfs/dbraw/zinc/68/29/43/840682943.db2.gz	CFVVRHAHXOGSGD-ZZXKWVIFSA-N	-1	0	261.216	0.560	20	30		CCEDRM
CSc1nn(-c2cnn(CC(=O)[O-])c2)c(N)c1C#N	ZINC001176264710	842345974	/nfs/dbraw/zinc/34/59/74/842345974.db2.gz	IXTMCUZIOHCCAZ-UHFFFAOYSA-N	-1	0	278.297	0.329	20	30		CCEDRM
N#Cc1nc2ccc(NC(=O)Cc3nnn[n-]3)cc2s1	ZINC001176842544	842427827	/nfs/dbraw/zinc/42/78/27/842427827.db2.gz	MOZNQNGBMCPJBM-UHFFFAOYSA-N	-1	0	285.292	0.862	20	30		CCEDRM
Cn1ccc(C(=O)NC2(C#N)CCC2)c1CC(=O)[O-]	ZINC001177361105	842566223	/nfs/dbraw/zinc/56/62/23/842566223.db2.gz	KDQLRARTWPSIHJ-UHFFFAOYSA-N	-1	0	261.281	0.828	20	30		CCEDRM
C=CC[C@@H](NC(=O)c1ccc(NC(N)=O)cc1)C(=O)[O-]	ZINC000150215966	843005300	/nfs/dbraw/zinc/00/53/00/843005300.db2.gz	RTOLUKJQGBFKJG-SNVBAGLBSA-N	-1	0	277.280	0.936	20	30		CCEDRM
N#Cc1ccc(OCC(=O)N2CC(C(=O)[O-])C2)cc1	ZINC000071172273	843382186	/nfs/dbraw/zinc/38/21/86/843382186.db2.gz	CTUYCBKCAMIVPW-UHFFFAOYSA-N	-1	0	260.249	0.480	20	30		CCEDRM
N#CC1(CC(=O)NCS(=O)(=O)[O-])CCCCC1	ZINC001181365786	843467756	/nfs/dbraw/zinc/46/77/56/843467756.db2.gz	JDNWGQRBHAFWFG-UHFFFAOYSA-N	-1	0	260.315	0.812	20	30		CCEDRM
N#Cc1cccc(CCC(=O)N[C@@H]2CO[N-]C2=O)c1	ZINC001182341852	843774239	/nfs/dbraw/zinc/77/42/39/843774239.db2.gz	XQFFMNNKLWPUKA-LLVKDONJSA-N	-1	0	259.265	0.037	20	30		CCEDRM
N#Cc1cc(NC(=O)[C@@H]2C[C@@H]2C(N)=O)c([O-])cc1F	ZINC001182382826	843782260	/nfs/dbraw/zinc/78/22/60/843782260.db2.gz	LVDCTUOEZXUPPR-NKWVEPMBSA-N	-1	0	263.228	0.463	20	30		CCEDRM
CCOCCS(=O)(=O)[N-]c1cnc(C#N)cn1	ZINC001187237451	844674317	/nfs/dbraw/zinc/67/43/17/844674317.db2.gz	HDOUQBNUOHRNPY-UHFFFAOYSA-N	-1	0	256.287	0.126	20	30		CCEDRM
C#Cc1cnc([N-]S(=O)(=O)c2cnoc2C)c(C#C)n1	ZINC001187333548	844698299	/nfs/dbraw/zinc/69/82/99/844698299.db2.gz	KOMPGXZWHSRCQU-UHFFFAOYSA-N	-1	0	288.288	0.536	20	30		CCEDRM
COC(=O)CCS(=O)(=O)[N-]c1cc(OC)ccc1C#N	ZINC001188392884	844878691	/nfs/dbraw/zinc/87/86/91/844878691.db2.gz	YWLJPEVNSVRAJF-UHFFFAOYSA-N	-1	0	298.320	0.872	20	30		CCEDRM
CC(C)C[C@H](NC(=O)c1ccncc1[O-])C(=O)NO	ZINC001188644369	844931276	/nfs/dbraw/zinc/93/12/76/844931276.db2.gz	CJPCOSHCLQRCNS-VIFPVBQESA-N	-1	0	267.285	0.437	20	30		CCEDRM
C[C@H](C#N)N(C)C(=O)c1ccccc1S(=O)(=O)[O-]	ZINC001189689657	845192999	/nfs/dbraw/zinc/19/29/99/845192999.db2.gz	LAENJKNPFGALDW-MRVPVSSYSA-N	-1	0	268.294	0.917	20	30		CCEDRM
COC(=O)c1cc(S(=O)(=O)[N-]CCC#N)oc1Cl	ZINC001189771174	845204458	/nfs/dbraw/zinc/20/44/58/845204458.db2.gz	GRJSLYWEXNLHAY-UHFFFAOYSA-N	-1	0	292.700	0.912	20	30		CCEDRM
C[C@H](O)CNS(=O)(=O)c1cc(C#N)ccc1F	ZINC001190607765	845444154	/nfs/dbraw/zinc/44/41/54/845444154.db2.gz	AJKBCFAEYKXYJS-ZETCQYMHSA-N	-1	0	258.274	0.356	20	30		CCEDRM
N#Cc1ccc(F)c(S(=O)(=O)NCC(=O)NC2CC2)c1	ZINC001190607995	845444268	/nfs/dbraw/zinc/44/42/68/845444268.db2.gz	HIDWCTQXBUMQPN-UHFFFAOYSA-N	-1	0	297.311	0.254	20	30		CCEDRM
N#Cc1cc(C(=O)NCCCC[P@](=O)([O-])O)ccn1	ZINC001191558582	845690054	/nfs/dbraw/zinc/69/00/54/845690054.db2.gz	SHPLWPYPEGJUQR-UHFFFAOYSA-N	-1	0	283.224	0.641	20	30		CCEDRM
CCO[N-]C(=O)CNS(=O)(=O)c1c(C)cccc1C#N	ZINC001192105656	845786841	/nfs/dbraw/zinc/78/68/41/845786841.db2.gz	FYLRPCQPCURQKW-UHFFFAOYSA-N	-1	0	297.336	0.213	20	30		CCEDRM
N#Cc1ccc(C(=O)N[C@@H]2CO[N-]C2=O)c(C(F)(F)F)c1	ZINC001192105179	845786978	/nfs/dbraw/zinc/78/69/78/845786978.db2.gz	RKJMJYOFRHIDDY-SECBINFHSA-N	-1	0	299.208	0.737	20	30		CCEDRM
O=C([O-])COc1ccc(S(=O)(=O)NCCS)cc1	ZINC001192736889	845897224	/nfs/dbraw/zinc/89/72/24/845897224.db2.gz	AFGHIZOZJBKFQK-UHFFFAOYSA-N	-1	0	291.350	0.358	20	30		CCEDRM
COc1ncnc(Cl)c1[N-]S(=O)(=O)CC#N	ZINC001192934755	845940430	/nfs/dbraw/zinc/94/04/30/845940430.db2.gz	DVFQFQHMGZUVEX-UHFFFAOYSA-N	-1	0	262.678	0.404	20	30		CCEDRM
COc1ccc2nc([N-]S(=O)(=O)CC#N)nnc2c1	ZINC001192934752	845940731	/nfs/dbraw/zinc/94/07/31/845940731.db2.gz	DUIRRRVREBMBEB-UHFFFAOYSA-N	-1	0	279.281	0.299	20	30		CCEDRM
N#CCS(=O)(=O)[N-]c1cccc2c1CCC(=O)N2	ZINC001192986359	845944788	/nfs/dbraw/zinc/94/47/88/845944788.db2.gz	ZIIYPELYRWFXKN-UHFFFAOYSA-N	-1	0	265.294	0.837	20	30		CCEDRM
N#CCS(=O)(=O)[N-]c1c(F)cccc1OC1COC1	ZINC001192985543	845945417	/nfs/dbraw/zinc/94/54/17/845945417.db2.gz	GAZWKTXNQIWBJC-UHFFFAOYSA-N	-1	0	286.284	0.869	20	30		CCEDRM
CCOC(=O)[C@H]([N-]S(=O)(=O)CC#N)c1ccccn1	ZINC001192996001	845950013	/nfs/dbraw/zinc/95/00/13/845950013.db2.gz	OCSXJEXNGKSJNU-SNVBAGLBSA-N	-1	0	283.309	0.129	20	30		CCEDRM
N#CCS(=O)(=O)[N-]c1ccc2[nH]c(=O)oc2c1	ZINC001192972077	845957317	/nfs/dbraw/zinc/95/73/17/845957317.db2.gz	JEDMDCUONZXTIF-UHFFFAOYSA-N	-1	0	253.239	0.799	20	30		CCEDRM
Cn1cnc2ccc([N-]S(=O)(=O)CC#N)cc21	ZINC001192979119	845961762	/nfs/dbraw/zinc/96/17/62/845961762.db2.gz	ZOSGBNAMNCRCFM-UHFFFAOYSA-N	-1	0	250.283	0.839	20	30		CCEDRM
N#CCS(=O)(=O)[N-]c1ccc(C(=O)NC2CC2)cc1	ZINC001192979004	845961779	/nfs/dbraw/zinc/96/17/79/845961779.db2.gz	STMLVENMBJJPFI-UHFFFAOYSA-N	-1	0	279.321	0.844	20	30		CCEDRM
CCCc1nn(C)c(C(N)=O)c1[N-]S(=O)(=O)[C@H](C)C#N	ZINC001193104441	845978663	/nfs/dbraw/zinc/97/86/63/845978663.db2.gz	INNRISDIBIDJEX-SSDOTTSWSA-N	-1	0	299.356	0.125	20	30		CCEDRM
CCOc1nccnc1[N-]S(=O)(=O)[C@H](C)C#N	ZINC001193104585	845978856	/nfs/dbraw/zinc/97/88/56/845978856.db2.gz	LBIBPDLDTJBCSY-SSDOTTSWSA-N	-1	0	256.287	0.529	20	30		CCEDRM
Cc1cc([N-]S(=O)(=O)[C@@H](C)C#N)n2ncnc2n1	ZINC001193105912	845979982	/nfs/dbraw/zinc/97/99/82/845979982.db2.gz	GMJRRTZLCBUVCU-ZETCQYMHSA-N	-1	0	266.286	0.087	20	30		CCEDRM
COc1ccc(C(N)=O)c([N-]S(=O)(=O)[C@@H](C)C#N)c1	ZINC001193148800	846005309	/nfs/dbraw/zinc/00/53/09/846005309.db2.gz	FLAVDOJIDPDTRH-ZETCQYMHSA-N	-1	0	283.309	0.448	20	30		CCEDRM
C[C@H](C#N)S(=O)(=O)[N-]c1ccc(C(N)=O)c(O)c1	ZINC001193162384	846010035	/nfs/dbraw/zinc/01/00/35/846010035.db2.gz	YLCYJVMBWHTJFO-ZCFIWIBFSA-N	-1	0	269.282	0.145	20	30		CCEDRM
Cc1nc(C#N)c([N-]S(=O)(=O)C[C@@H]2CCCO2)o1	ZINC001193208725	846020475	/nfs/dbraw/zinc/02/04/75/846020475.db2.gz	WVZNYODERBKETC-QMMMGPOBSA-N	-1	0	271.298	0.775	20	30		CCEDRM
CS(=O)(=O)CCNC(=O)c1ccc([O-])c(C#N)c1	ZINC001193495110	846093570	/nfs/dbraw/zinc/09/35/70/846093570.db2.gz	XFSBCQTUXZQMMP-UHFFFAOYSA-N	-1	0	268.294	0.038	20	30		CCEDRM
COC(=O)N1CCN(C(=O)c2ccc([O-])c(C#N)c2)CC1	ZINC001193495054	846093618	/nfs/dbraw/zinc/09/36/18/846093618.db2.gz	UZUDVTFTTDUCDR-UHFFFAOYSA-N	-1	0	289.291	0.788	20	30		CCEDRM
C[C@@]1(CO)CN(C(=O)c2ccc([O-])c(C#N)c2)CC[C@@H]1O	ZINC001193505085	846101398	/nfs/dbraw/zinc/10/13/98/846101398.db2.gz	CJDBRVKBCKHUAP-ZFWWWQNUSA-N	-1	0	290.319	0.469	20	30		CCEDRM
CC(=O)N1C[C@H]2C[C@@]2(NC(=O)c2ccc([O-])c(C#N)c2)C1	ZINC001193512382	846103559	/nfs/dbraw/zinc/10/35/59/846103559.db2.gz	NJRLXEGCDVFIJW-IUODEOHRSA-N	-1	0	285.303	0.614	20	30		CCEDRM
CN1CCC[C@H](NC(=O)c2ccc([O-])c(C#N)c2)C1=O	ZINC001193515941	846103606	/nfs/dbraw/zinc/10/36/06/846103606.db2.gz	VJNFPMHTFDJOFV-NSHDSACASA-N	-1	0	273.292	0.614	20	30		CCEDRM
Cc1cc(NC(=O)c2ccc([O-])c(C#N)c2)n(N)c(=O)c1	ZINC001193514247	846103745	/nfs/dbraw/zinc/10/37/45/846103745.db2.gz	DMJHKGLHSPAQRW-UHFFFAOYSA-N	-1	0	284.275	0.700	20	30		CCEDRM
C[C@@]1(CO)CN(C(=O)c2cccc(C#N)c2[O-])CC[C@H]1O	ZINC001193642946	846134648	/nfs/dbraw/zinc/13/46/48/846134648.db2.gz	UEJTYFXXLYMOFA-DOMZBBRYSA-N	-1	0	290.319	0.469	20	30		CCEDRM
CC(C)(C)N(C[C@@H](O)CO)C(=O)c1cccc(C#N)c1[O-]	ZINC001193642973	846135042	/nfs/dbraw/zinc/13/50/42/846135042.db2.gz	UOGAIVTVZCEWCJ-LLVKDONJSA-N	-1	0	292.335	0.858	20	30		CCEDRM
C#CCCC1(CCNC(=O)c2cc(=O)n(C)[n-]2)N=N1	ZINC001194211224	846241597	/nfs/dbraw/zinc/24/15/97/846241597.db2.gz	OPAHINKVOCBZEA-UHFFFAOYSA-N	-1	0	261.285	0.821	20	30		CCEDRM
CCOC(=O)[C@@H](C#N)[N-]S(=O)(=O)CC[Si](C)(C)C	ZINC001195090763	846456524	/nfs/dbraw/zinc/45/65/24/846456524.db2.gz	DZTVNAPDRRGKOC-SECBINFHSA-N	-1	0	292.433	0.699	20	30		CCEDRM
Cn1cc([N-]S(=O)(=O)c2ccc(O)cc2)c(C#N)n1	ZINC001195766939	846615126	/nfs/dbraw/zinc/61/51/26/846615126.db2.gz	CFCIXNLUZLPSFE-UHFFFAOYSA-N	-1	0	278.293	0.798	20	30		CCEDRM
C[C@@]1(CO)CCN(C(=O)c2ccc(C#N)cc2[O-])C[C@H]1O	ZINC001195741165	846619320	/nfs/dbraw/zinc/61/93/20/846619320.db2.gz	PXWZQUNLUSLMFZ-HIFRSBDPSA-N	-1	0	290.319	0.469	20	30		CCEDRM
N#Cc1ccc(C(=O)N2CCN3C(=O)OC[C@H]3C2)c([O-])c1	ZINC001195740938	846620050	/nfs/dbraw/zinc/62/00/50/846620050.db2.gz	FZDKMLKHVOSVEV-SNVBAGLBSA-N	-1	0	287.275	0.540	20	30		CCEDRM
Cn1cc([N-]S(=O)(=O)Cc2ccccn2)c(C#N)n1	ZINC001197789066	846963741	/nfs/dbraw/zinc/96/37/41/846963741.db2.gz	MTPOXMWRPQBWQG-UHFFFAOYSA-N	-1	0	277.309	0.629	20	30		CCEDRM
Cc1ccc(S(=O)(=O)[N-]c2cnc(C#N)cn2)cn1	ZINC001198265784	847070273	/nfs/dbraw/zinc/07/02/73/847070273.db2.gz	OFUWAOLPMPHENO-UHFFFAOYSA-N	-1	0	275.293	0.853	20	30		CCEDRM
N#Cc1ccnnc1[N-]S(=O)(=O)C(F)(F)F	ZINC001252285628	847921624	/nfs/dbraw/zinc/92/16/24/847921624.db2.gz	FFINGRDXUFKDQR-UHFFFAOYSA-N	-1	0	252.177	0.610	20	30		CCEDRM
Cc1n[nH]c(C(=O)N[C@@H]2CCCC[C@@H]2CNCC#N)c1[O-]	ZINC001275757872	848811063	/nfs/dbraw/zinc/81/10/63/848811063.db2.gz	RXHSXQZPOKPBAM-GHMZBOCLSA-N	-1	0	291.355	0.826	20	30		CCEDRM
N#Cc1cc(F)cc(S(=O)(=O)N(CC(=O)[O-])C2CC2)c1	ZINC000718637200	849271043	/nfs/dbraw/zinc/27/10/43/849271043.db2.gz	LDQNYPSANKKVJK-UHFFFAOYSA-N	-1	0	298.295	0.935	20	30		CCEDRM
C=CCC1(C(=O)[O-])CN(S(=O)(=O)C2(C)CC2)C1	ZINC000722827369	850159508	/nfs/dbraw/zinc/15/95/08/850159508.db2.gz	COYBOQVXZQJOIX-UHFFFAOYSA-N	-1	0	259.327	0.831	20	30		CCEDRM
CC(C)[C@@H](C#N)[N-]S(=O)(=O)N=S(C)(C)=O	ZINC000903117751	852141268	/nfs/dbraw/zinc/14/12/68/852141268.db2.gz	MCRZKTRWHSTTQS-SSDOTTSWSA-N	-1	0	253.349	0.097	20	30		CCEDRM
Cc1[nH]nc(C(=O)N2CCC[C@@H]3[C@H]2CCN3CC#N)c1[O-]	ZINC001049422954	852268361	/nfs/dbraw/zinc/26/83/61/852268361.db2.gz	PUPJPFFSKXHSSS-GHMZBOCLSA-N	-1	0	289.339	0.626	20	30		CCEDRM
C=CC(C)(C)C(=O)N1C[C@H]([NH2+]Cc2n[nH]c(=O)[n-]2)[C@@H](C)C1	ZINC001054976671	853047491	/nfs/dbraw/zinc/04/74/91/853047491.db2.gz	OEJGHZJGJZADLM-UWVGGRQHSA-N	-1	0	293.371	0.659	20	30		CCEDRM
CNC(=O)C(C#N)=C([O-])c1cccc(N2CCCC2=O)c1	ZINC000133458023	853841995	/nfs/dbraw/zinc/84/19/95/853841995.db2.gz	DJBDVESHWRUXQO-LBPRGKRZSA-N	-1	0	285.303	0.882	20	30		CCEDRM
CO[N-]C(=O)C(=O)Nc1ccccc1O[C@@H](C)C#N	ZINC001116717869	855817984	/nfs/dbraw/zinc/81/79/84/855817984.db2.gz	VNFLHXFCTARHAW-QMMMGPOBSA-N	-1	0	263.253	0.594	20	30		CCEDRM
C#Cc1cncc(C(=O)N2CCc3nc[nH]c(=O)c3C2)c1	ZINC001117456669	855987476	/nfs/dbraw/zinc/98/74/76/855987476.db2.gz	SPKKJRDYITYNEE-UHFFFAOYSA-N	-1	0	280.287	0.757	20	30		CCEDRM
C=C[C@@H](C)O[N-]C(=O)C(=O)Nc1cc(C2CC2)nn1C	ZINC001118246981	856222570	/nfs/dbraw/zinc/22/25/70/856222570.db2.gz	WMGXXWKBYBOJAM-MRVPVSSYSA-N	-1	0	278.312	0.858	20	30		CCEDRM
N#CCCCCC(=O)[N-]S(=O)(=O)Cc1ccon1	ZINC001118313758	856256029	/nfs/dbraw/zinc/25/60/29/856256029.db2.gz	JNJDJPFSXBYBAN-UHFFFAOYSA-N	-1	0	271.298	0.705	20	30		CCEDRM
C[C@@H](CC#N)C(=O)[N-]S(=O)(=O)C[C@@H]1CCOC1	ZINC001118542277	856332228	/nfs/dbraw/zinc/33/22/28/856332228.db2.gz	QJIYYRFJUCCXMR-DTWKUNHWSA-N	-1	0	260.315	0.019	20	30		CCEDRM
Cc1nnc([S-])n(N=CCCCCCO)c1=O	ZINC001119008333	856528226	/nfs/dbraw/zinc/52/82/26/856528226.db2.gz	WHZLKTDGIPGXGI-UHFFFAOYSA-N	-1	0	256.331	0.622	20	30		CCEDRM
COc1ccc(C=NNCC(=O)[O-])c(F)c1OC	ZINC001119300059	856621354	/nfs/dbraw/zinc/62/13/54/856621354.db2.gz	SFGBRZCZTKRGAM-UHFFFAOYSA-N	-1	0	256.233	0.851	20	30		CCEDRM
C=CCCC[C@@H](C)NC(=O)C(=O)N[C@H]1C[C@H](C(=O)[O-])C1	ZINC001119391302	856665926	/nfs/dbraw/zinc/66/59/26/856665926.db2.gz	BAOQCGFSMUVSRI-GMTAPVOTSA-N	-1	0	282.340	0.827	20	30		CCEDRM
C=C(C)C[C@@H](NC(=O)CO[C@@H]1CCOC1)C(=O)[O-]	ZINC001119583847	856754921	/nfs/dbraw/zinc/75/49/21/856754921.db2.gz	PXYKQWOEFZNFFN-NXEZZACHSA-N	-1	0	257.286	0.328	20	30		CCEDRM
C#CC[C@H](NC(=O)c1ncc(C)cc1OC)C(=O)[O-]	ZINC001119582109	856755301	/nfs/dbraw/zinc/75/53/01/856755301.db2.gz	SQNSEQZJQNEFGA-VIFPVBQESA-N	-1	0	262.265	0.605	20	30		CCEDRM
C=CCCC[C@@H](C)NC(=O)C(=O)[N-]OC[C@H]1CCOC1	ZINC001323547646	912402534	/nfs/dbraw/zinc/40/25/34/912402534.db2.gz	FINDURQWKZTBHU-NEPJUHHUSA-N	-1	0	284.356	0.932	20	30		CCEDRM
C=CCC1(S(=O)(=O)[N-]C(=O)C[C@@H]2COC(=O)C2)CC1	ZINC001324192507	912714727	/nfs/dbraw/zinc/71/47/27/912714727.db2.gz	JYZYLJKAFCPUOI-VIFPVBQESA-N	-1	0	287.337	0.494	20	30		CCEDRM
Cc1nnc([S-])n(N=Cc2cn(C(C)C)nn2)c1=O	ZINC001325248834	913295101	/nfs/dbraw/zinc/29/51/01/913295101.db2.gz	BFLCQUFMVUOIST-UHFFFAOYSA-N	-1	0	279.329	0.290	20	30		CCEDRM
N#CCCCS(=O)(=O)[N-]C(=O)C1(CF)CCC1	ZINC001326215804	913827385	/nfs/dbraw/zinc/82/73/85/913827385.db2.gz	BKUHNEKBNGIDPQ-UHFFFAOYSA-N	-1	0	262.306	0.876	20	30		CCEDRM
Nc1cnnc(N=NC2CC(C(=O)[O-])C2)c1Cl	ZINC001326240723	913841246	/nfs/dbraw/zinc/84/12/46/913841246.db2.gz	UGHZCPCOVYRYIE-UHFFFAOYSA-N	-1	0	255.665	0.975	20	30		CCEDRM
CC(C)n1nnc([N-]S(=O)(=O)c2ccc(C#N)cc2)n1	ZINC001414342294	894412648	/nfs/dbraw/zinc/41/26/48/894412648.db2.gz	NXYVPKXKPMGAPN-UHFFFAOYSA-N	-1	0	292.324	0.926	20	30		CCEDRM
C=CCC[C@@H](NC(=O)[C@@H]1CSCN1C(C)=O)C(=O)[O-]	ZINC000448994194	897571834	/nfs/dbraw/zinc/57/18/34/897571834.db2.gz	NWIGUENRIQTARR-ZJUUUORDSA-N	-1	0	286.353	0.443	20	30		CCEDRM
O=C(N[C@@H]1CCCN(O)C1=O)c1cnc(C2CC2)[nH]1	ZINC001326799564	914184854	/nfs/dbraw/zinc/18/48/54/914184854.db2.gz	KWLFHDMEKZUBKD-MRVPVSSYSA-N	-1	0	264.285	0.397	20	30		CCEDRM
Cc1nnc([S-])n(N=Cc2cc3n(n2)CCCC3)c1=O	ZINC001326824571	914209706	/nfs/dbraw/zinc/20/97/06/914209706.db2.gz	XQZXLLNJYVRUKB-UHFFFAOYSA-N	-1	0	290.352	0.650	20	30		CCEDRM
COc1ccc(NC(=N[O-])c2nonc2N)cc1CO	ZINC001175979935	899972590	/nfs/dbraw/zinc/97/25/90/899972590.db2.gz	NAVBLAXAIHHZCD-UHFFFAOYSA-N	-1	0	279.256	0.401	20	30		CCEDRM
C[C@H]1CCC[C@H]1NC(=O)Cn1cc(C#N)c(=O)[n-]c1=O	ZINC001412525649	901788720	/nfs/dbraw/zinc/78/87/20/901788720.db2.gz	IUHHJWDJZWFVGQ-WCBMZHEXSA-N	-1	0	276.296	0.125	20	30		CCEDRM
C=CCCSCCNc1[n-]c(=O)n(C)c(=O)c1C#N	ZINC001337220745	921220056	/nfs/dbraw/zinc/22/00/56/921220056.db2.gz	KOEBWHULGKRBOF-UHFFFAOYSA-N	-1	0	280.353	0.666	20	30		CCEDRM
Cn1c(=O)[n-]c(N[C@H]2CCCC23CC3)c(C#N)c1=O	ZINC001337237315	921220673	/nfs/dbraw/zinc/22/06/73/921220673.db2.gz	MGLHTUOSXKKNFO-VIFPVBQESA-N	-1	0	260.297	0.690	20	30		CCEDRM
N#Cc1c[nH]c2cc(C(=O)NCc3nc(=O)o[n-]3)ccc12	ZINC001295427187	906725812	/nfs/dbraw/zinc/72/58/12/906725812.db2.gz	AILVLIDSOKBGTI-UHFFFAOYSA-N	-1	0	283.247	0.646	20	30		CCEDRM
C#CC[C@H](NC(=O)CCC(C)(C)C(C)=O)C(=O)[O-]	ZINC001588407350	983427812	/nfs/dbraw/zinc/42/78/12/983427812.db2.gz	ZBCXQHANPFHEIY-JTQLQIEISA-N	-1	0	253.298	0.975	20	30		CCEDRM
C=CC1CCN(c2nnc(Cc3nn[nH]n3)n2C)CC1	ZINC001338122042	921373361	/nfs/dbraw/zinc/37/33/61/921373361.db2.gz	JEECTVXUCULOEF-UHFFFAOYSA-N	-1	0	274.332	0.321	20	30		CCEDRM
C=CC(C)(C)C(=O)Nc1n[n-]c(S(C)(=O)=O)n1	ZINC001306462944	908249550	/nfs/dbraw/zinc/24/95/50/908249550.db2.gz	RVUXUMGBERVQCJ-UHFFFAOYSA-N	-1	0	258.303	0.359	20	30		CCEDRM
N#Cc1cn(CCC(=O)NCC2CCC2)c(=O)[n-]c1=O	ZINC001417606330	921447760	/nfs/dbraw/zinc/44/77/60/921447760.db2.gz	HOOAMMOELDNIIB-UHFFFAOYSA-N	-1	0	276.296	0.127	20	30		CCEDRM
C=CCC(C)(C)C(=O)NCCN(C)Cc1n[nH]c(=O)[n-]1	ZINC001317463037	909241502	/nfs/dbraw/zinc/24/15/02/909241502.db2.gz	QGHZUROKJFBURU-UHFFFAOYSA-N	-1	0	281.360	0.661	20	30		CCEDRM
N#Cc1csc(C(=O)[N-]S(=O)(=O)C(F)F)c1	ZINC001318982459	909942495	/nfs/dbraw/zinc/94/24/95/909942495.db2.gz	XVNIIPRIMCTKPC-UHFFFAOYSA-N	-1	0	266.250	0.902	20	30		CCEDRM
Cc1nnc([S-])n(N=Cc2c(Cl)cnn2C)c1=O	ZINC001320628585	910767715	/nfs/dbraw/zinc/76/77/15/910767715.db2.gz	CQJORIFCILRKOR-UHFFFAOYSA-N	-1	0	284.732	0.505	20	30		CCEDRM
C=CC[C@H](NC(=O)CCc1ccnn1C)C(=O)[O-]	ZINC001321339954	911243899	/nfs/dbraw/zinc/24/38/99/911243899.db2.gz	SVYYKEWRFGOWCG-JTQLQIEISA-N	-1	0	251.286	0.498	20	30		CCEDRM
C=CC[C@H](NC(=O)c1cnn2c1CCCC2)C(=O)[O-]	ZINC001321342071	911244970	/nfs/dbraw/zinc/24/49/70/911244970.db2.gz	VJKNEGGBJNCDBT-JTQLQIEISA-N	-1	0	263.297	0.979	20	30		CCEDRM
N#CCSCC(=O)N1CCC[C@H](c2n[nH]c(=O)[n-]2)C1	ZINC001322791217	911957973	/nfs/dbraw/zinc/95/79/73/911957973.db2.gz	JXDFZUWHJKIAIJ-QMMMGPOBSA-N	-1	0	281.341	0.473	20	30		CCEDRM
N#CCCCNC(=O)C(=O)Nc1cccnc1C(=O)[O-]	ZINC001328334159	915118704	/nfs/dbraw/zinc/11/87/04/915118704.db2.gz	OWPBCDCZWDOSHS-UHFFFAOYSA-N	-1	0	276.252	0.138	20	30		CCEDRM
C=CCn1cc(C(=O)[N-]S(=O)(=O)C(C)(C)C)nn1	ZINC001329419775	915898137	/nfs/dbraw/zinc/89/81/37/915898137.db2.gz	HEUQQWTVWNIJNR-UHFFFAOYSA-N	-1	0	272.330	0.322	20	30		CCEDRM
C=CC[C@H](NC(=O)[C@@H](OCC)[C@H]1CCOC1)C(=O)[O-]	ZINC001329655123	916103626	/nfs/dbraw/zinc/10/36/26/916103626.db2.gz	CHFOANQIGBHREI-DCAQKATOSA-N	-1	0	271.313	0.574	20	30		CCEDRM
C=CC[C@@H](NC(=O)c1nc2ncc(C)cn2n1)C(=O)[O-]	ZINC001329809293	916199310	/nfs/dbraw/zinc/19/93/10/916199310.db2.gz	NWBCSHYAYAOQMM-MRVPVSSYSA-N	-1	0	275.268	0.192	20	30		CCEDRM
C=CCOC[C@@H](NCc1cn(C(C)C)nn1)C(=O)[O-]	ZINC001331934912	917732747	/nfs/dbraw/zinc/73/27/47/917732747.db2.gz	WTZKSNSEMATNQV-LLVKDONJSA-N	-1	0	268.317	0.604	20	30		CCEDRM
C=CC[C@H](NC(=O)[C@@H](OC)c1cnn(C)c1)C(=O)[O-]	ZINC001332135795	917894504	/nfs/dbraw/zinc/89/45/04/917894504.db2.gz	LHXAAKGPGXTGQL-UWVGGRQHSA-N	-1	0	267.285	0.253	20	30		CCEDRM
C=C(C)Cn1[n-]c(C)c([C@H]2CCS(=O)(=O)C2)c1=O	ZINC001332221429	917963709	/nfs/dbraw/zinc/96/37/09/917963709.db2.gz	GZOFIFJLRRQMEX-QWRGUYRKSA-N	-1	0	270.354	0.832	20	30		CCEDRM
C=CCO[N-]C(=O)C(=O)Nc1ccn(CCF)n1	ZINC001332331187	918057348	/nfs/dbraw/zinc/05/73/48/918057348.db2.gz	ANGTXLFFDDWSOZ-UHFFFAOYSA-N	-1	0	256.237	0.025	20	30		CCEDRM
C=CC[C@@H](NC(=O)C1(COC)CCOCC1)C(=O)[O-]	ZINC001332614026	918310290	/nfs/dbraw/zinc/31/02/90/918310290.db2.gz	SZPQXIOGJBWEHJ-SNVBAGLBSA-N	-1	0	271.313	0.575	20	30		CCEDRM
C=C[C@H](C)O[N-]C(=O)C(=O)Nc1cnc2c(c1)COCC2	ZINC001332626562	918324134	/nfs/dbraw/zinc/32/41/34/918324134.db2.gz	ADFGLHRTBVJQNF-VIFPVBQESA-N	-1	0	291.307	0.715	20	30		CCEDRM
C=CCCC(C)(C)CNC(=O)C(=O)NCC(=O)[N-]OCC	ZINC001332782029	918436632	/nfs/dbraw/zinc/43/66/32/918436632.db2.gz	CFYOBGHYANYRIE-UHFFFAOYSA-N	-1	0	299.371	0.279	20	30		CCEDRM
C=C(CC)CNC(=O)C(=O)N[C@H]1C[C@H](C(=O)[O-])C1	ZINC001333830453	919196257	/nfs/dbraw/zinc/19/62/57/919196257.db2.gz	KFLONXGTZCSUTD-KYZUINATSA-N	-1	0	254.286	0.048	20	30		CCEDRM
C=CC[C@H](NC(=O)COCc1ccc(OC)nc1)C(=O)[O-]	ZINC001334980158	919880446	/nfs/dbraw/zinc/88/04/46/919880446.db2.gz	DVMLQUXPPRSUJW-NSHDSACASA-N	-1	0	294.307	0.752	20	30		CCEDRM
C#CCC1(C(=O)N[C@H](CO)C(=O)[O-])CCCCC1	ZINC001335016613	919903817	/nfs/dbraw/zinc/90/38/17/919903817.db2.gz	OUMTXYVXMNUDDT-SNVBAGLBSA-N	-1	0	253.298	0.522	20	30		CCEDRM
C=CCO[C@@H]1CCN(C(=O)N[C@H]2C[C@H](C(=O)[O-])C2)C1	ZINC001335989839	920548769	/nfs/dbraw/zinc/54/87/69/920548769.db2.gz	BPESNIPCADEFKC-GMTAPVOTSA-N	-1	0	268.313	0.836	20	30		CCEDRM
CN(CC1CCCC1)c1[n-]c(=O)n(C)c(=O)c1C#N	ZINC001336489099	920800742	/nfs/dbraw/zinc/80/07/42/920800742.db2.gz	HXIOXANWUAQTOD-UHFFFAOYSA-N	-1	0	262.313	0.572	20	30		CCEDRM
N#Cc1nc(NC(=O)[C@@H]2CCCN2C2CC2)[n-]c1C#N	ZINC001418236711	921947759	/nfs/dbraw/zinc/94/77/59/921947759.db2.gz	LSWBUWIYJCTQHS-NSHDSACASA-N	-1	0	270.296	0.718	20	30		CCEDRM
CON=Cc1ccc(C(=O)NCc2nc(=O)o[n-]2)cc1	ZINC001341189209	922375168	/nfs/dbraw/zinc/37/51/68/922375168.db2.gz	YSJSYXMQYRHYRC-UHFFFAOYSA-N	-1	0	276.252	0.273	20	30		CCEDRM
C=CCNC(=O)C(C#N)=C([O-])c1c2c(nn1C)CCC2	ZINC001342047779	922780166	/nfs/dbraw/zinc/78/01/66/922780166.db2.gz	CFJRTXUZMGEVFT-SNVBAGLBSA-N	-1	0	272.308	0.533	20	30		CCEDRM
Cn1ccnc1C([O-])=C(C#N)C(=O)CCc1cnccn1	ZINC001342679107	923052578	/nfs/dbraw/zinc/05/25/78/923052578.db2.gz	APBUJTICNBOKOX-NSHDSACASA-N	-1	0	283.291	0.734	20	30		CCEDRM
Cc1nnc([S-])n(N=Cc2cn(C(C)(C)C)nn2)c1=O	ZINC001343544168	923366101	/nfs/dbraw/zinc/36/61/01/923366101.db2.gz	PCYGVOMOXUNMRO-UHFFFAOYSA-N	-1	0	293.356	0.464	20	30		CCEDRM
Cc1cc(C#N)c(=O)[n-]c1C(=O)NCC[C@H](O)C1CC1	ZINC001420521816	923740558	/nfs/dbraw/zinc/74/05/58/923740558.db2.gz	HFNGGOZQTRGPKY-NSHDSACASA-N	-1	0	275.308	0.858	20	30		CCEDRM
CC(C)c1nc(CNc2[n-]c(=O)n(C)c(=O)c2C#N)c[nH]1	ZINC001421279486	924253406	/nfs/dbraw/zinc/25/34/06/924253406.db2.gz	NPHHYYKQKBQKRA-UHFFFAOYSA-N	-1	0	288.311	0.404	20	30		CCEDRM
COCC[C@@H](NS(=O)(=O)CCCCC#N)C(=O)OC	ZINC001347329838	924424244	/nfs/dbraw/zinc/42/42/44/924424244.db2.gz	ATHCGTUVBQDZNJ-SNVBAGLBSA-N	-1	0	292.357	0.178	20	30		CCEDRM
C=CCCC(=O)N[C@H](C(=O)[O-])[C@H](O)c1ccncc1	ZINC001347562328	924480330	/nfs/dbraw/zinc/48/03/30/924480330.db2.gz	KHRKFRJBABWADZ-NWDGAFQWSA-N	-1	0	264.281	0.651	20	30		CCEDRM
C=CCCC[C@@H](NC(=O)[C@@H]1OC[C@@H]2COCC[C@H]12)C(=O)[O-]	ZINC001347573115	924484173	/nfs/dbraw/zinc/48/41/73/924484173.db2.gz	AYYRACMWNBSOIA-WUHRBBMRSA-N	-1	0	297.351	0.964	20	30		CCEDRM
C=CCCn1cc(CN[C@H](C(=O)[O-])[C@@H]2CCCO2)nn1	ZINC001348503645	924709204	/nfs/dbraw/zinc/70/92/04/924709204.db2.gz	VWEMLGRYPLVHQN-RYUDHWBXSA-N	-1	0	280.328	0.576	20	30		CCEDRM
Cc1nnc([S-])n(N=Cc2cnn3c2CCC3)c1=O	ZINC001350457644	925204399	/nfs/dbraw/zinc/20/43/99/925204399.db2.gz	WOTVUWULWANQDL-UHFFFAOYSA-N	-1	0	276.325	0.260	20	30		CCEDRM
C=CC[C@@H](NC(=O)c1cc(OC(F)F)n(C)n1)C(=O)[O-]	ZINC001350768371	925274562	/nfs/dbraw/zinc/27/45/62/925274562.db2.gz	LCWYSDADMYBVGW-ZCFIWIBFSA-N	-1	0	289.238	0.781	20	30		CCEDRM
CCOC(=O)c1n[nH]c(CNC(=O)[C@@](C)(C#N)CC)n1	ZINC001413849179	925623828	/nfs/dbraw/zinc/62/38/28/925623828.db2.gz	LKLRCNSZXHMXSY-GFCCVEGCSA-N	-1	0	279.300	0.537	20	30		CCEDRM
C=C[C@@H](C)O[N-]C(=O)[C@@H](O)CNC(=O)OC(C)(C)C	ZINC001353726139	925918081	/nfs/dbraw/zinc/91/80/81/925918081.db2.gz	WTUDXZUGRXOCDA-BDAKNGLRSA-N	-1	0	274.317	0.494	20	30		CCEDRM
N#Cc1cn(C2CN(C(=O)C=C3CCC3)C2)c(=O)[n-]c1=O	ZINC001353949485	925972058	/nfs/dbraw/zinc/97/20/58/925972058.db2.gz	HALYTYKROSVHLU-UHFFFAOYSA-N	-1	0	286.291	0.314	20	30		CCEDRM
C=CCC1(O)CN(C(=O)C(C)(C)[N-]C(=O)C(F)(F)F)C1	ZINC001353962991	925977018	/nfs/dbraw/zinc/97/70/18/925977018.db2.gz	KGGQUVOZFCKBCB-UHFFFAOYSA-N	-1	0	294.273	0.593	20	30		CCEDRM
COCCNC(=O)C(C#N)=C([O-])c1scnc1COC	ZINC001356085374	926342654	/nfs/dbraw/zinc/34/26/54/926342654.db2.gz	AKEGSKAKBGXVDS-QMMMGPOBSA-N	-1	0	297.336	0.375	20	30		CCEDRM
Cn1ccnc1C([O-])=C(C#N)C(=O)CCc1cncnc1	ZINC001357660776	926579943	/nfs/dbraw/zinc/57/99/43/926579943.db2.gz	ALOQYOKHGOKBFM-LLVKDONJSA-N	-1	0	283.291	0.734	20	30		CCEDRM
N#Cc1c[n-]n2c1nc(CN1CC[C@@H](O)[C@H](F)C1)cc2=O	ZINC001414054114	926901161	/nfs/dbraw/zinc/90/11/61/926901161.db2.gz	QCSIDPMVHURUJF-GHMZBOCLSA-N	-1	0	291.286	0.211	20	30		CCEDRM
C=CC[C@H](NC(=O)c1ccc2c(c1)NC(=O)CO2)C(=O)[O-]	ZINC000150132935	926948237	/nfs/dbraw/zinc/94/82/37/926948237.db2.gz	KYMGDZYPXWRWQV-VIFPVBQESA-N	-1	0	290.275	0.777	20	30		CCEDRM
C=CC[C@@H](NC(=O)c1ccc(-n2cncn2)nc1)C(=O)[O-]	ZINC000150338387	926949141	/nfs/dbraw/zinc/94/91/41/926949141.db2.gz	JSPZCFOITUATRG-SNVBAGLBSA-N	-1	0	287.279	0.421	20	30		CCEDRM
N#Cc1sccc1C(=O)N1CCO[C@@H](c2nnn[n-]2)C1	ZINC001361786380	927328343	/nfs/dbraw/zinc/32/83/43/927328343.db2.gz	XGMRVZOWTFTSJI-MRVPVSSYSA-N	-1	0	290.308	0.347	20	30		CCEDRM
CN(C(=O)Cc1cccc(OCC#N)c1)c1nnn[n-]1	ZINC001361903677	927434236	/nfs/dbraw/zinc/43/42/36/927434236.db2.gz	JIRLYVXZCVFRHR-UHFFFAOYSA-N	-1	0	272.268	0.308	20	30		CCEDRM
C=C(Cl)CNC(=O)CCn1cc(C#N)c(=O)[n-]c1=O	ZINC001361909058	927439173	/nfs/dbraw/zinc/43/91/73/927439173.db2.gz	ZDLKAAVOAAXVGC-UHFFFAOYSA-N	-1	0	282.687	0.079	20	30		CCEDRM
C[C@H]1CCC[C@H](NC(=O)Cn2cc(C#N)c(=O)[n-]c2=O)C1	ZINC001361920125	927450321	/nfs/dbraw/zinc/45/03/21/927450321.db2.gz	ZVLQHQYFCLSJCX-ONGXEEELSA-N	-1	0	290.323	0.515	20	30		CCEDRM
Cc1cc(C#N)c(=O)[n-]c1C(=O)N(C)Cc1nccn1C	ZINC001362031386	927537501	/nfs/dbraw/zinc/53/75/01/927537501.db2.gz	OCHCELNCYLFHIG-UHFFFAOYSA-N	-1	0	285.307	0.973	20	30		CCEDRM
Cc1ccnc(NC(=O)CCn2cc(C#N)c(=O)[n-]c2=O)c1	ZINC001362051411	927558272	/nfs/dbraw/zinc/55/82/72/927558272.db2.gz	HJYZPRGWFREYGF-UHFFFAOYSA-N	-1	0	299.290	0.553	20	30		CCEDRM
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CC1(C)C[C@@H]1CNC(=O)CCn1cc(C#N)c(=O)[n-]c1=O	ZINC001362268944	927801146	/nfs/dbraw/zinc/80/11/46/927801146.db2.gz	JYIFREJIHWXTIA-SNVBAGLBSA-N	-1	0	290.323	0.373	20	30		CCEDRM
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Cc1cc(C#N)c(=O)[n-]c1C(=O)N1CC[C@@](O)(C(F)F)C1	ZINC001362996626	928741801	/nfs/dbraw/zinc/74/18/01/928741801.db2.gz	KAVKMKWUSBPQOO-ZDUSSCGKSA-N	-1	0	297.261	0.809	20	30		CCEDRM
Cc1nc(NC(=O)Cn2cc(C#N)c(=O)[n-]c2=O)oc1C	ZINC001363086909	928853786	/nfs/dbraw/zinc/85/37/86/928853786.db2.gz	BPRHNYSYDLSNGI-UHFFFAOYSA-N	-1	0	289.251	0.064	20	30		CCEDRM
COC(=O)C1(C)CN(C(=O)c2[n-]c(=O)c(C#N)cc2C)C1	ZINC001363110396	928879248	/nfs/dbraw/zinc/87/92/48/928879248.db2.gz	SXKSJAYNRNUJME-UHFFFAOYSA-N	-1	0	289.291	0.602	20	30		CCEDRM
CCCCS(=O)(=O)CC(=O)Nc1nc(C#N)c(C#N)[n-]1	ZINC001363153688	928924264	/nfs/dbraw/zinc/92/42/64/928924264.db2.gz	DHUBKEONQQCABY-UHFFFAOYSA-N	-1	0	295.324	0.306	20	30		CCEDRM
N#Cc1c[n-]c(=O)n(CC[C@@H](O)c2ccccc2)c1=O	ZINC001363185388	928954188	/nfs/dbraw/zinc/95/41/88/928954188.db2.gz	PCTBWCQNLWLHLT-GFCCVEGCSA-N	-1	0	271.276	0.532	20	30		CCEDRM
Cc1cc(C#N)c(=O)[n-]c1C(=O)N1CCc2ncncc2C1	ZINC001363338591	929128814	/nfs/dbraw/zinc/12/88/14/929128814.db2.gz	LYFPWNPGMFEETL-UHFFFAOYSA-N	-1	0	295.302	0.956	20	30		CCEDRM
Cn1c(=O)[n-]c(NC[C@@]2(O)CCCC2(C)C)c(C#N)c1=O	ZINC001363727709	929525383	/nfs/dbraw/zinc/52/53/83/929525383.db2.gz	JFDSOLSKJIOIIG-AWEZNQCLSA-N	-1	0	292.339	0.298	20	30		CCEDRM
N#CCOc1cccc(CNS(=O)(=O)c2ncc[n-]2)c1	ZINC001363761804	929553793	/nfs/dbraw/zinc/55/37/93/929553793.db2.gz	INYJOENXAZPAJI-UHFFFAOYSA-N	-1	0	292.320	0.791	20	30		CCEDRM
Cn1[n-]c(C(=O)NCc2ccnc(C#N)c2)cc1=O	ZINC001448874561	931013557	/nfs/dbraw/zinc/01/35/57/931013557.db2.gz	GOQCJEYUIZMKKS-UHFFFAOYSA-N	-1	0	257.253	0.322	20	30		CCEDRM
C=CCO[N-]C(=O)[C@H](NC(=O)C1CCCC1)[C@@H](C)O	ZINC001449651022	931173520	/nfs/dbraw/zinc/17/35/20/931173520.db2.gz	BZMPPHVPVVZHIN-MWLCHTKSSA-N	-1	0	270.329	0.276	20	30		CCEDRM
Cc1onc(CC(=O)[N-]O[C@@H](CO)C(C)C)c1C#N	ZINC001450098853	931232563	/nfs/dbraw/zinc/23/25/63/931232563.db2.gz	NRRZRYSDWOLLME-NSHDSACASA-N	-1	0	267.285	0.462	20	30		CCEDRM
CN(CC(C)(C)C#N)C(=O)[C@@H]1CC(C(=O)[O-])=NO1	ZINC001610916183	970785940	/nfs/dbraw/zinc/78/59/40/970785940.db2.gz	NVYIWUGHIQMCGW-QMMMGPOBSA-N	-1	0	253.258	0.224	20	30		CCEDRM
N#CC1(CNC(=O)C(=O)Nc2ccccc2C(=O)[O-])CC1	ZINC001601056439	970924256	/nfs/dbraw/zinc/92/42/56/970924256.db2.gz	JIXRUAFXBFVWHY-UHFFFAOYSA-N	-1	0	287.275	0.743	20	30		CCEDRM
Cc1nc(NC(=O)[C@@H](C)C(=O)[O-])n(-c2ccc(C#N)cc2)n1	ZINC001611238201	970948186	/nfs/dbraw/zinc/94/81/86/970948186.db2.gz	LHLTXSKVSUVUQC-MRVPVSSYSA-N	-1	0	299.290	0.529	20	30		CCEDRM
C=C(C)Cn1cc(C(=O)OC)cc(-c2nnn[n-]2)c1=O	ZINC000095129576	944606644	/nfs/dbraw/zinc/60/66/44/944606644.db2.gz	SDRKXYHULQTYEV-UHFFFAOYSA-N	-1	0	275.268	0.391	20	30		CCEDRM
CC[C@@]1(O)CCN(C(=O)[C@](C)(C#N)CC(=O)[O-])C1	ZINC001603617323	973900853	/nfs/dbraw/zinc/90/08/53/973900853.db2.gz	XHHJGIFOOSFWCN-NWDGAFQWSA-N	-1	0	254.286	0.364	20	30		CCEDRM
C#C[C@@H](NC(=O)c1cnc(C(=O)[O-])cn1)C(C)(C)C	ZINC001602672650	971238293	/nfs/dbraw/zinc/23/82/93/971238293.db2.gz	OOGWIHFNJRLONH-SNVBAGLBSA-N	-1	0	261.281	0.953	20	30		CCEDRM
C#CCC[C@@H](O)CNC(=O)c1coc(/C=C/C(=O)[O-])c1	ZINC001602674934	971243798	/nfs/dbraw/zinc/24/37/98/971243798.db2.gz	GAOXMOUXNNPRDG-MVIFTORASA-N	-1	0	277.276	0.882	20	30		CCEDRM
C#CC[C@H](CO)NC(=O)/C=C/c1ccc(C(=O)[O-])o1	ZINC001602675299	971247832	/nfs/dbraw/zinc/24/78/32/971247832.db2.gz	PDCFBDFBWWYETN-VPIOIWJLSA-N	-1	0	263.249	0.491	20	30		CCEDRM
C#CCCCCNC(=O)N1C[C@H]2COC[C@@]2(C(=O)[O-])C1	ZINC001602675592	971250538	/nfs/dbraw/zinc/25/05/38/971250538.db2.gz	BPJOECHCOPJIOR-FZMZJTMJSA-N	-1	0	280.324	0.533	20	30		CCEDRM
C#CCN(C(=O)[C@@H]1CCCN(CC(=O)[O-])C1=O)C(C)(C)C	ZINC001602675586	971250854	/nfs/dbraw/zinc/25/08/54/971250854.db2.gz	BOBCVHKALYXOFW-LLVKDONJSA-N	-1	0	294.351	0.570	20	30		CCEDRM
C#CCCOC(=O)N[C@H](Cc1ccncc1)C(=O)[O-]	ZINC001602675703	971252596	/nfs/dbraw/zinc/25/25/96/971252596.db2.gz	JXCPKBZLEZAVKP-LLVKDONJSA-N	-1	0	262.265	0.827	20	30		CCEDRM
C#CCN(CC#CC)C(=O)[C@H]1CO[C@H](CCC(=O)[O-])C1	ZINC001602679517	971260291	/nfs/dbraw/zinc/26/02/91/971260291.db2.gz	RMXXCTCZKMFWEY-CHWSQXEVSA-N	-1	0	277.320	0.741	20	30		CCEDRM
C#CCN(CC(=O)[O-])C(=O)C(C)(C)C1CCOCC1	ZINC001602679412	971260302	/nfs/dbraw/zinc/26/03/02/971260302.db2.gz	PLTUOQICOHTIGC-UHFFFAOYSA-N	-1	0	267.325	0.986	20	30		CCEDRM
C#CCN(CC(=O)[O-])C(=O)[C@@H]1CC(=O)N[C@@H]2CCCC[C@@H]21	ZINC001602682188	971265200	/nfs/dbraw/zinc/26/52/00/971265200.db2.gz	HYCVNLWOEUYCNW-IJLUTSLNSA-N	-1	0	292.335	0.228	20	30		CCEDRM
C#CCN(CC(=O)[O-])C(=O)c1ccc(F)c(NC(C)=O)c1	ZINC001602691290	971294681	/nfs/dbraw/zinc/29/46/81/971294681.db2.gz	FJVQDEANOKFVPN-UHFFFAOYSA-N	-1	0	292.266	0.944	20	30		CCEDRM
C#CCN(CC(=O)[O-])C(=O)c1ccnn1C1CCC1	ZINC001602692268	971301907	/nfs/dbraw/zinc/30/19/07/971301907.db2.gz	JAGLAMIXSOIUFJ-UHFFFAOYSA-N	-1	0	261.281	0.768	20	30		CCEDRM
C#CCN(CC(=O)[O-])C(=O)c1ncc(Br)cn1	ZINC001602692519	971302980	/nfs/dbraw/zinc/30/29/80/971302980.db2.gz	RZSVVGSRPRCCET-UHFFFAOYSA-N	-1	0	298.096	0.399	20	30		CCEDRM
C#CCN(CC(=O)[O-])C(=O)c1ccc([S@@](C)=O)cc1	ZINC001602692644	971303995	/nfs/dbraw/zinc/30/39/95/971303995.db2.gz	VKYGPUUASQDEQF-LJQANCHMSA-N	-1	0	279.317	0.584	20	30		CCEDRM
C#CCN(CC(=O)[O-])C(=O)c1cnn2ccc(C)cc12	ZINC001602692570	971304229	/nfs/dbraw/zinc/30/42/29/971304229.db2.gz	UIIRPKATHFPYJJ-UHFFFAOYSA-N	-1	0	271.276	0.803	20	30		CCEDRM
C#CCN(CC(=O)[O-])C(=O)c1ccc2ncn(C)c2n1	ZINC001602692654	971304371	/nfs/dbraw/zinc/30/43/71/971304371.db2.gz	VPXRARSUCMZRAO-UHFFFAOYSA-N	-1	0	272.264	0.128	20	30		CCEDRM
C#CCN(CC(=O)[O-])[C@H]1CCCN(C(C)C)C1=O	ZINC001602695340	971306096	/nfs/dbraw/zinc/30/60/96/971306096.db2.gz	CWTWMGWEOUQDFK-NSHDSACASA-N	-1	0	252.314	0.406	20	30		CCEDRM
C#CCN(CC(=O)[O-])Cc1cn(Cc2cccnc2)nn1	ZINC001602699217	971317196	/nfs/dbraw/zinc/31/71/96/971317196.db2.gz	ODNQCZZCXHQORJ-UHFFFAOYSA-N	-1	0	285.307	0.241	20	30		CCEDRM
C#CCN1CCCN(C(=O)[C@]2(C(=O)[O-])C[C@H]2C)CC1	ZINC001602702074	971328843	/nfs/dbraw/zinc/32/88/43/971328843.db2.gz	GVBHXWBOLLCQKO-RISCZKNCSA-N	-1	0	264.325	0.265	20	30		CCEDRM
C#CCNC(=O)COC(=O)C(CC)(CC)C(=O)[O-]	ZINC001602702109	971329900	/nfs/dbraw/zinc/32/99/00/971329900.db2.gz	JKFIHKQIFCYICV-UHFFFAOYSA-N	-1	0	255.270	0.170	20	30		CCEDRM
C#CCOc1ccccc1NCCS(=O)(=O)CC(=O)[O-]	ZINC001602704661	971336200	/nfs/dbraw/zinc/33/62/00/971336200.db2.gz	MMTMJLXGSZHPJU-UHFFFAOYSA-N	-1	0	297.332	0.610	20	30		CCEDRM
C=C(C)CN(C)C(=O)C(=O)N1CCC[C@H](CC(=O)[O-])C1	ZINC001602709511	971346967	/nfs/dbraw/zinc/34/69/67/971346967.db2.gz	FBPAHTKXUXSCLR-LLVKDONJSA-N	-1	0	282.340	0.734	20	30		CCEDRM
C=C(CO)C(=O)N[C@@H]1C[C@H](C(=O)[O-])c2ccccc21	ZINC001602712467	971356339	/nfs/dbraw/zinc/35/63/39/971356339.db2.gz	RSWPOGWGSPPVPZ-NWDGAFQWSA-N	-1	0	261.277	0.964	20	30		CCEDRM
C=C1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CC(C(=O)[O-])=NO1	ZINC001602712946	971358080	/nfs/dbraw/zinc/35/80/80/971358080.db2.gz	BKHZRZZMYDWVNV-WCABBAIRSA-N	-1	0	264.281	0.926	20	30		CCEDRM
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C=C[C@@H](O)c1nnc(N2CC[C@@H](C(=O)[O-])C2)n1CC	ZINC001602717438	971367407	/nfs/dbraw/zinc/36/74/07/971367407.db2.gz	MOPPKBYQYJOEEQ-RKDXNWHRSA-N	-1	0	266.301	0.428	20	30		CCEDRM
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C=CCn1nnn(CN2C[C@H](C)C[C@@H](C(=O)[O-])C2)c1=S	ZINC001602731203	971412389	/nfs/dbraw/zinc/41/23/89/971412389.db2.gz	YCZKJOQPGGYZPK-NXEZZACHSA-N	-1	0	297.384	0.995	20	30		CCEDRM
CC(=NOC1CCOCC1)c1cn(CC(=O)[O-])nn1	ZINC001602737267	971430272	/nfs/dbraw/zinc/43/02/72/971430272.db2.gz	KEJZHVWXWOQPDY-UHFFFAOYSA-N	-1	0	268.273	0.282	20	30		CCEDRM
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C#CCN(CC(=O)[O-])S(=O)(=O)c1ccc(F)cc1C	ZINC000092479694	949152348	/nfs/dbraw/zinc/15/23/48/949152348.db2.gz	FPBNEZLSDYLQRV-UHFFFAOYSA-N	-1	0	285.296	0.843	20	30		CCEDRM
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C[C@H]1CCOCCN1C(=O)[C@@](C)(C#N)CC(=O)[O-]	ZINC001589362848	954163259	/nfs/dbraw/zinc/16/32/59/954163259.db2.gz	SOYFLELOEZSQCV-JOYOIKCWSA-N	-1	0	254.286	0.628	20	30		CCEDRM
C[C@@H]1CN(C(=O)[C@@](C)(C#N)CC(=O)[O-])C[C@@H](C)C1O	ZINC001589366233	954197546	/nfs/dbraw/zinc/19/75/46/954197546.db2.gz	LBEIWLWDYPJOMS-JRKPZEMJSA-N	-1	0	268.313	0.466	20	30		CCEDRM
C[C@H]1CN(C(=O)C2(C#N)CCOCC2)CC[C@H]1C(=O)[O-]	ZINC001589366231	954197826	/nfs/dbraw/zinc/19/78/26/954197826.db2.gz	KZJVIEUHOFBBGN-WDEREUQCSA-N	-1	0	280.324	0.876	20	30		CCEDRM
CN(Cc1cccc(C#N)c1)C(=O)C(=O)NCCC(=O)[O-]	ZINC001593760993	954491511	/nfs/dbraw/zinc/49/15/11/954491511.db2.gz	HFRXQOOZLHWFNZ-UHFFFAOYSA-N	-1	0	289.291	0.108	20	30		CCEDRM
CC[C@H](CC#N)NC(=O)[C@H]1CCCN(CC(=O)[O-])C1=O	ZINC001589464442	954889364	/nfs/dbraw/zinc/88/93/64/954889364.db2.gz	TYCHILOUUOOQOJ-NXEZZACHSA-N	-1	0	281.312	0.118	20	30		CCEDRM
COC(=O)CCN(CC#N)Cc1cc(C(=O)[O-])nn1C	ZINC001593835628	955178914	/nfs/dbraw/zinc/17/89/14/955178914.db2.gz	DDQSXQKYSDIFSQ-UHFFFAOYSA-N	-1	0	280.284	0.007	20	30		CCEDRM
C[C@H](CN1CCOCC1)OC(=O)[C@@](C)(C#N)CC(=O)[O-]	ZINC001589038716	955572392	/nfs/dbraw/zinc/57/23/92/955572392.db2.gz	GVVWEZLIEBAJLT-ZWNOBZJWSA-N	-1	0	284.312	0.255	20	30		CCEDRM
C[C@H](CNC(=O)NCC#C[C@H]1CCCCO1)C(=O)[O-]	ZINC001589052449	955674674	/nfs/dbraw/zinc/67/46/74/955674674.db2.gz	XNGBSUYEYQQHCN-GHMZBOCLSA-N	-1	0	268.313	0.579	20	30		CCEDRM
CO[C@@H](C(=O)[O-])C(=O)Nc1cc(C)c(N(C)C)cc1C#N	ZINC001593911272	955967040	/nfs/dbraw/zinc/96/70/40/955967040.db2.gz	JTCQLRCKXICDML-GFCCVEGCSA-N	-1	0	291.307	0.971	20	30		CCEDRM
C[C@@H](NC(=O)NCC#CCO)[C@@H]1C[C@H](C(=O)[O-])C1(C)C	ZINC001589102239	956010838	/nfs/dbraw/zinc/01/08/38/956010838.db2.gz	KQVNXICELLFAKK-OUAUKWLOSA-N	-1	0	282.340	0.417	20	30		CCEDRM
N#C[C@H](C(=O)NC1CC1)C(=O)[C@H]1CC[C@@H](C(=O)[O-])C1	ZINC001594600619	956122178	/nfs/dbraw/zinc/12/21/78/956122178.db2.gz	ANJXUHMHCOWZRN-XKSSXDPKSA-N	-1	0	264.281	0.475	20	30		CCEDRM
CO[C@@](C)(C(=O)[O-])C(=O)NCc1ccc(C#N)cc1	ZINC001593925805	956122865	/nfs/dbraw/zinc/12/28/65/956122865.db2.gz	ITEFOGFAKQIAOB-CYBMUJFWSA-N	-1	0	262.265	0.664	20	30		CCEDRM
N#C[C@H](C(=O)[C@H]1CC[C@@H](C(=O)[O-])C1)C(=O)N1CCCC1	ZINC001594601258	956132913	/nfs/dbraw/zinc/13/29/13/956132913.db2.gz	MBAJDRPCQGEELJ-HBNTYKKESA-N	-1	0	278.308	0.819	20	30		CCEDRM
N#CC1(CNC(=O)[C@@H](C(=O)[O-])C2CC2)CCOCC1	ZINC001594604612	956164330	/nfs/dbraw/zinc/16/43/30/956164330.db2.gz	ZEPNTUMWIUABFZ-JTQLQIEISA-N	-1	0	266.297	0.534	20	30		CCEDRM
N#C[C@@H]1CN(C(=O)[C@H]2CO[C@@H](CCC(=O)[O-])C2)CCO1	ZINC001594605503	956167022	/nfs/dbraw/zinc/16/70/22/956167022.db2.gz	FOMKPCXRYGQVID-OUAUKWLOSA-N	-1	0	282.296	0.007	20	30		CCEDRM
N#C[C@H]1CN(C(=O)NCc2ccccc2C(=O)[O-])CCO1	ZINC001594605698	956170170	/nfs/dbraw/zinc/17/01/70/956170170.db2.gz	IZUGVMQYJNDDLN-NSHDSACASA-N	-1	0	289.291	0.819	20	30		CCEDRM
N#CCCc1ccc(NCC(=O)NCC(=O)[O-])cc1	ZINC001594609789	956195794	/nfs/dbraw/zinc/19/57/94/956195794.db2.gz	BJFUUESHHDGKBL-UHFFFAOYSA-N	-1	0	261.281	0.755	20	30		CCEDRM
N#Cc1c(F)cc(C(=O)N[C@@]2(C(=O)[O-])CCOC2)cc1F	ZINC001594611835	956222149	/nfs/dbraw/zinc/22/21/49/956222149.db2.gz	HVHFBCRYBVQJKA-ZDUSSCGKSA-N	-1	0	296.229	0.810	20	30		CCEDRM
N#Cc1ccccc1/C=C/C(=O)NCCOCC(=O)[O-]	ZINC001594628648	956335386	/nfs/dbraw/zinc/33/53/86/956335386.db2.gz	HYXQKFIHLDHGTF-AATRIKPKSA-N	-1	0	274.276	0.789	20	30		CCEDRM
C[C@H](OC(=O)[C@@H](C)C(=O)[O-])C(=O)N(C)CCC#N	ZINC001589158794	956386870	/nfs/dbraw/zinc/38/68/70/956386870.db2.gz	MMJHZAXZRFJQMI-YUMQZZPRSA-N	-1	0	256.258	0.011	20	30		CCEDRM
COC[C@@]1(C(=O)[O-])CCN(C(=O)CC(C)(C)C#N)C1	ZINC001593961567	956488442	/nfs/dbraw/zinc/48/84/42/956488442.db2.gz	HXHKSYQADVBWBS-CYBMUJFWSA-N	-1	0	268.313	0.876	20	30		CCEDRM
C[C@@]1(C#N)CCN(C(=O)Nc2ccn(CC(=O)[O-])n2)C1	ZINC001589181396	956523109	/nfs/dbraw/zinc/52/31/09/956523109.db2.gz	HGGFEKZVZSMZJQ-LBPRGKRZSA-N	-1	0	277.284	0.735	20	30		CCEDRM
COC[C@@]1(C(=O)[O-])CCN(C(=O)c2cnccc2C#N)C1	ZINC001593968046	956580655	/nfs/dbraw/zinc/58/06/55/956580655.db2.gz	NHYOIKQCFCXKSL-CQSZACIVSA-N	-1	0	289.291	0.517	20	30		CCEDRM
O=C([O-])[C@H](Cc1ccncc1)NC(=O)C#CC1CC1	ZINC001594667873	956595509	/nfs/dbraw/zinc/59/55/09/956595509.db2.gz	PGQDCUXVXPJKTK-LBPRGKRZSA-N	-1	0	258.277	0.607	20	30		CCEDRM
CC1(C)C[C@]1(C(=O)[O-])C(=O)OCC1(CC#N)COC1	ZINC001589218580	956746149	/nfs/dbraw/zinc/74/61/49/956746149.db2.gz	SMSSMPVRVXMCQX-ZDUSSCGKSA-N	-1	0	267.281	0.961	20	30		CCEDRM
CC1(C)CCCN(C(=O)[C@@H]2CC(C(=O)[O-])=NO2)[C@@H]1C#N	ZINC001589225951	956794939	/nfs/dbraw/zinc/79/49/39/956794939.db2.gz	PTULYANGHXSJDS-VHSXEESVSA-N	-1	0	279.296	0.757	20	30		CCEDRM
COCCCCN(C)C(=O)[C@](C)(C#N)CC(=O)[O-]	ZINC001593993318	956858696	/nfs/dbraw/zinc/85/86/96/956858696.db2.gz	UZOUBMDBIOGTLE-LBPRGKRZSA-N	-1	0	256.302	0.876	20	30		CCEDRM
C[C@H](C#N)CN(C(=O)c1cnc(C(=O)[O-])cn1)C1CC1	ZINC001603130092	972221642	/nfs/dbraw/zinc/22/16/42/972221642.db2.gz	RBCSBUIXVLNNAT-MRVPVSSYSA-N	-1	0	274.280	0.939	20	30		CCEDRM
C#C[C@H](CCC)NC(=O)NCCSCC(=O)[O-]	ZINC000389440612	972225476	/nfs/dbraw/zinc/22/54/76/972225476.db2.gz	HQLCTIMHKZFQCA-SECBINFHSA-N	-1	0	258.343	0.905	20	30		CCEDRM
C#CC[C@@H](NC(=O)c1cccc(NC(C)=O)c1)C(=O)[O-]	ZINC000059927371	957566031	/nfs/dbraw/zinc/56/60/31/957566031.db2.gz	CKCCSMZPVNWADJ-GFCCVEGCSA-N	-1	0	274.276	0.851	20	30		CCEDRM
Cc1cc(C#N)cnc1C(=O)N1CCC[C@@H]1C(=O)[O-]	ZINC001594274416	957707366	/nfs/dbraw/zinc/70/73/66/957707366.db2.gz	JFAIRAYQHUWZJM-SNVBAGLBSA-N	-1	0	259.265	0.951	20	30		CCEDRM
C=CCS(=O)(=O)CC(=O)Nc1ccc(C(=O)[O-])cc1	ZINC000071530474	957724569	/nfs/dbraw/zinc/72/45/69/957724569.db2.gz	ZKZMALBWNZWROG-UHFFFAOYSA-N	-1	0	283.305	0.924	20	30		CCEDRM
COCc1nc(CNC(=O)[C@](C)(C#N)CC(=O)[O-])cs1	ZINC001594029258	957744811	/nfs/dbraw/zinc/74/48/11/957744811.db2.gz	ZAPKLMYGTOLKPY-LBPRGKRZSA-N	-1	0	297.336	0.910	20	30		CCEDRM
CON=CC(=O)Nc1cnn(C(C)(C)C(=O)[O-])c1	ZINC001594042616	957890160	/nfs/dbraw/zinc/89/01/60/957890160.db2.gz	SXFQAEKRKYLUIE-UHFFFAOYSA-N	-1	0	254.246	0.274	20	30		CCEDRM
C#C[C@@H](OC(=O)[C@H]1CCCN(CC(=O)[O-])C1=O)C1CC1	ZINC001588385241	957968370	/nfs/dbraw/zinc/96/83/70/957968370.db2.gz	BHKOIMQINWLXBY-WDEREUQCSA-N	-1	0	279.292	0.265	20	30		CCEDRM
C#C[C@@H](NC(=O)NC[C@H](C)C(=O)[O-])C1CCOCC1	ZINC001588385605	957971454	/nfs/dbraw/zinc/97/14/54/957971454.db2.gz	HBUNSVHATNIQBS-GXSJLCMTSA-N	-1	0	268.313	0.435	20	30		CCEDRM
C#C[C@H]1CCCCN1C(=O)NCCOCCOCC(=O)[O-]	ZINC001588385738	957972949	/nfs/dbraw/zinc/97/29/49/957972949.db2.gz	HGOMTCJZYJYPFM-LBPRGKRZSA-N	-1	0	298.339	0.302	20	30		CCEDRM
COc1cc(C(=O)N2CC(C(=O)[O-])C2)ccc1C#N	ZINC001594050314	957977915	/nfs/dbraw/zinc/97/79/15/957977915.db2.gz	JTVXYHFIAJDZSZ-UHFFFAOYSA-N	-1	0	260.249	0.723	20	30		CCEDRM
C#CC[C@H](CO)NC(=O)c1coc(/C=C/C(=O)[O-])c1	ZINC001588389018	958002372	/nfs/dbraw/zinc/00/23/72/958002372.db2.gz	KDOBOVMSUSKELN-ORAHPGNNSA-N	-1	0	263.249	0.491	20	30		CCEDRM
C#CCCCc1nnc(N2CC[C@@H](C(=O)[O-])C2)n1C	ZINC001588390800	958015679	/nfs/dbraw/zinc/01/56/79/958015679.db2.gz	JLDMYVUBGREQIH-SNVBAGLBSA-N	-1	0	262.313	0.682	20	30		CCEDRM
C#CCC[C@@H](C)OC(=O)c1cccn(CC(=O)[O-])c1=O	ZINC001588391246	958020582	/nfs/dbraw/zinc/02/05/82/958020582.db2.gz	DIBBAYJILXXAQB-SNVBAGLBSA-N	-1	0	277.276	0.892	20	30		CCEDRM
C#CC[C@H]1CCN(C(=O)[C@H]2CCCN(CC(=O)[O-])C2=O)C1	ZINC001588391200	958020765	/nfs/dbraw/zinc/02/07/65/958020765.db2.gz	COWRIVWBWOYNKA-RYUDHWBXSA-N	-1	0	292.335	0.181	20	30		CCEDRM
C#CCN(CC(=O)[O-])C(=O)[C@H](CC(=C)C)NC(C)=O	ZINC001588397261	958052387	/nfs/dbraw/zinc/05/23/87/958052387.db2.gz	BOILIMOVFIVYTE-NSHDSACASA-N	-1	0	266.297	0.004	20	30		CCEDRM
C#CCN(CC(=O)[O-])C(=O)C[C@@H](C)n1ccnc1CC	ZINC001588400473	958082086	/nfs/dbraw/zinc/08/20/86/958082086.db2.gz	YKWYULIIEZONMD-LLVKDONJSA-N	-1	0	277.324	0.943	20	30		CCEDRM
C#CCN(CC(=O)[O-])C(=O)C[C@@H]1NC(=O)c2ccccc21	ZINC001588401800	958085920	/nfs/dbraw/zinc/08/59/20/958085920.db2.gz	CZGUOWQWLLZGHI-LBPRGKRZSA-N	-1	0	286.287	0.408	20	30		CCEDRM
C#CCN(CC(=O)[O-])C(=O)CCC(=O)N(CCC)CCC	ZINC001588402189	958088941	/nfs/dbraw/zinc/08/89/41/958088941.db2.gz	OCBWYMSTSUBZSV-UHFFFAOYSA-N	-1	0	296.367	0.962	20	30		CCEDRM
C#CCN(CC(=O)[O-])C(=O)C[C@H]1Cc2ccccc2O1	ZINC001588402640	958092768	/nfs/dbraw/zinc/09/27/68/958092768.db2.gz	YZAPIAPMARKLGO-GFCCVEGCSA-N	-1	0	273.288	0.927	20	30		CCEDRM
C#CCN(CC(=O)[O-])C(=O)N[C@@H](C)Cc1cccnc1	ZINC001588407125	958097674	/nfs/dbraw/zinc/09/76/74/958097674.db2.gz	HKJBDIAMVBXZIT-NSHDSACASA-N	-1	0	275.308	0.742	20	30		CCEDRM
C#CCN(CC(=O)[O-])C(=O)NC[C@@H]1C[C@H]1C(F)(F)F	ZINC001588408714	958116675	/nfs/dbraw/zinc/11/66/75/958116675.db2.gz	AADBQUOESPMBGO-JGVFFNPUSA-N	-1	0	278.230	0.914	20	30		CCEDRM
C#CCN(CC(=O)[O-])C(=O)NCc1ccc([C@H](C)O)cc1	ZINC001588408821	958117677	/nfs/dbraw/zinc/11/76/77/958117677.db2.gz	GYSUUXXQODWLQU-NSHDSACASA-N	-1	0	290.319	0.969	20	30		CCEDRM
C#CCN(CC(=O)[O-])C(=O)NCc1c(C)onc1CC	ZINC001588408890	958119101	/nfs/dbraw/zinc/11/91/01/958119101.db2.gz	KFUFVMCSFRAYKA-UHFFFAOYSA-N	-1	0	279.296	0.775	20	30		CCEDRM
C#CCN(CC(=O)[O-])C(=O)N[C@@H]1CCCC[C@@H]1F	ZINC001588408938	958121668	/nfs/dbraw/zinc/12/16/68/958121668.db2.gz	NJQHQGQRWYZISN-VHSXEESVSA-N	-1	0	256.277	0.997	20	30		CCEDRM
C#CCN(CC(=O)[O-])C(=O)N[C@H](c1cnn(C)c1)C(C)C	ZINC001588409272	958126421	/nfs/dbraw/zinc/12/64/21/958126421.db2.gz	DFISPNLWBIBHQB-ZDUSSCGKSA-N	-1	0	292.339	0.847	20	30		CCEDRM
C#CCN(CC(=O)[O-])C(=O)N[C@@H]1[C@@H](C)[C@H](OC)C1(C)C	ZINC001588410034	958133897	/nfs/dbraw/zinc/13/38/97/958133897.db2.gz	OCZGRWWSCGATDM-JLLWLGSASA-N	-1	0	282.340	0.775	20	30		CCEDRM
C#CCN(CC(=O)[O-])C(=O)N[C@@H]1CCS[C@@H](C)C1	ZINC001588410044	958134145	/nfs/dbraw/zinc/13/41/45/958134145.db2.gz	OEJQQTVXBLHFAH-VHSXEESVSA-N	-1	0	270.354	1.000	20	30		CCEDRM
C#CCN(CC(=O)[O-])C(=O)N[C@@H]1[C@H]2CCCO[C@@H]2C1(C)C	ZINC001588410058	958135173	/nfs/dbraw/zinc/13/51/73/958135173.db2.gz	OPOXXVJYJDIKFL-RTXFEEFZSA-N	-1	0	294.351	0.919	20	30		CCEDRM
C#CCN(CC(=O)[O-])C(=O)N[C@@H]1CCO[C@H]1C=C	ZINC001588411187	958147306	/nfs/dbraw/zinc/14/73/06/958147306.db2.gz	PSFJWFLJBVPSLF-ZJUUUORDSA-N	-1	0	252.270	0.059	20	30		CCEDRM
C[C@@H](C(=O)[O-])N(C)S(=O)(=O)c1ccc(CC#N)cc1	ZINC000092130806	958160277	/nfs/dbraw/zinc/16/02/77/958160277.db2.gz	KRCASLWJTCVCHQ-VIFPVBQESA-N	-1	0	282.321	0.846	20	30		CCEDRM
C#CCN(CC(=O)[O-])C(=O)c1cc(C)cc(OC)c1O	ZINC001588417307	958170763	/nfs/dbraw/zinc/17/07/63/958170763.db2.gz	HLOOQNSWDWPSFT-UHFFFAOYSA-N	-1	0	277.276	0.869	20	30		CCEDRM
C#CCN(CC(=O)[O-])C(=O)c1cnc(CC)s1	ZINC001588418340	958177877	/nfs/dbraw/zinc/17/78/77/958177877.db2.gz	AZFZQYSCLBZKND-UHFFFAOYSA-N	-1	0	252.295	0.866	20	30		CCEDRM
C#CCN(CC(=O)[O-])C(=O)c1ccnc2ccncc21	ZINC001588418661	958183566	/nfs/dbraw/zinc/18/35/66/958183566.db2.gz	BIKGDCBKSNUXPO-UHFFFAOYSA-N	-1	0	269.260	0.790	20	30		CCEDRM
C#CCN(CC(=O)[O-])C(=O)c1cnn(C)c1C(F)F	ZINC001588418777	958185017	/nfs/dbraw/zinc/18/50/17/958185017.db2.gz	SGRLIYDXRXGBEE-UHFFFAOYSA-N	-1	0	271.223	0.518	20	30		CCEDRM
C#CCN(CC(=O)[O-])C(=O)c1ccn(C2CCOCC2)n1	ZINC001588419270	958193978	/nfs/dbraw/zinc/19/39/78/958193978.db2.gz	ZNJUQRFRFMJWSF-UHFFFAOYSA-N	-1	0	291.307	0.395	20	30		CCEDRM
C#CCN(CC(=O)[O-])[C@@H](C(=O)OC)c1cccc(C#N)c1	ZINC001588420225	958201398	/nfs/dbraw/zinc/20/13/98/958201398.db2.gz	QWEOZASMKOCEAZ-CQSZACIVSA-N	-1	0	286.287	0.792	20	30		CCEDRM
C#CCN(CC(=O)[O-])C[C@@H](O)CC[C@@H](O)c1ccccc1	ZINC001588424140	958210147	/nfs/dbraw/zinc/21/01/47/958210147.db2.gz	JZHGIVNGGVOYTF-LSDHHAIUSA-N	-1	0	291.347	0.881	20	30		CCEDRM
C#CCN(CC(=O)[O-])C[C@@H](O)COc1ccc(C)cc1	ZINC001588424716	958217998	/nfs/dbraw/zinc/21/79/98/958217998.db2.gz	WRBAHJBJHCFWRB-CYBMUJFWSA-N	-1	0	277.320	0.755	20	30		CCEDRM
C#CCN(CC(=O)[O-])c1nnc(C(F)F)n1CC	ZINC001588427416	958245450	/nfs/dbraw/zinc/24/54/50/958245450.db2.gz	WRJZDSPWGKRTGC-UHFFFAOYSA-N	-1	0	258.228	0.760	20	30		CCEDRM
C#CCN(CC)C(=O)Nc1ccn(CC(=O)[O-])n1	ZINC001588432165	958276330	/nfs/dbraw/zinc/27/63/30/958276330.db2.gz	BCXHPPZZDLGJFD-UHFFFAOYSA-N	-1	0	250.258	0.455	20	30		CCEDRM
C#CCN(CCS(=O)(=O)c1ccccc1)CC(=O)[O-]	ZINC001588432377	958281299	/nfs/dbraw/zinc/28/12/99/958281299.db2.gz	OYRDOWPFDFGIRR-UHFFFAOYSA-N	-1	0	281.333	0.480	20	30		CCEDRM
C#CCn1ccc(CN(CCOC)CC(=O)[O-])n1	ZINC001588434032	958303630	/nfs/dbraw/zinc/30/36/30/958303630.db2.gz	YNMPVENNBNGBNE-UHFFFAOYSA-N	-1	0	251.286	0.049	20	30		CCEDRM
C=C(C)C(C)(C)C(=O)NCCOCCOCC(=O)[O-]	ZINC001588439898	958325060	/nfs/dbraw/zinc/32/50/60/958325060.db2.gz	VHLKCVXGJOPWSD-UHFFFAOYSA-N	-1	0	273.329	0.823	20	30		CCEDRM
C=C(Cl)C[C@H]1NC(=O)N(CCOCC(=O)[O-])C1=O	ZINC001588445993	958378200	/nfs/dbraw/zinc/37/82/00/958378200.db2.gz	YCUMEKFHZDDMMZ-SSDOTTSWSA-N	-1	0	276.676	0.151	20	30		CCEDRM
C=CC[C@H](CO)CNC(=O)[C@H]1CC[C@@H](C(=O)[O-])C1	ZINC001588453148	958431480	/nfs/dbraw/zinc/43/14/80/958431480.db2.gz	PUKQYMZFVJUHLD-GARJFASQSA-N	-1	0	255.314	0.788	20	30		CCEDRM
C=CCC1(O)CCN(C(=O)[C@]2(C(=O)[O-])CCCO2)CC1	ZINC001588458388	958462194	/nfs/dbraw/zinc/46/21/94/958462194.db2.gz	UAWBHANYYGWWFH-AWEZNQCLSA-N	-1	0	283.324	0.550	20	30		CCEDRM
C#C[C@@H](CC)NC(=O)N1C[C@H]2COC[C@@]2(C(=O)[O-])C1	ZINC001573318659	958467854	/nfs/dbraw/zinc/46/78/54/958467854.db2.gz	QEDBRXFRCGPLPS-KWBADKCTSA-N	-1	0	266.297	0.141	20	30		CCEDRM
C#CC1(F)CN(C(=O)NC[C@H](C(=O)[O-])C(C)C)C1	ZINC001573319087	958469965	/nfs/dbraw/zinc/46/99/65/958469965.db2.gz	UZXNQEIRBLKQFQ-VIFPVBQESA-N	-1	0	256.277	0.710	20	30		CCEDRM
C=CCCOCCNC(=O)[C@@H]1CO[C@H](CCC(=O)[O-])C1	ZINC001588460483	958476115	/nfs/dbraw/zinc/47/61/15/958476115.db2.gz	KEGHZBIMZDZYOJ-NWDGAFQWSA-N	-1	0	285.340	0.965	20	30		CCEDRM
C=CCCC[C@@H](NC(=O)[C@@](C)(OC)C(=O)[O-])C(=O)OC	ZINC001573328138	958496704	/nfs/dbraw/zinc/49/67/04/958496704.db2.gz	BRVVLPMSUUHJCY-NOZJJQNGSA-N	-1	0	287.312	0.490	20	30		CCEDRM
C=CCNc1nnc(SCC(=O)C(=O)[O-])s1	ZINC001588465269	958500161	/nfs/dbraw/zinc/50/01/61/958500161.db2.gz	VNISMYAWNUIYKS-UHFFFAOYSA-N	-1	0	259.312	0.882	20	30		CCEDRM
C=CCNC(=O)[C@@H](C)OC(=O)[C@]1(C(=O)[O-])C[C@H]1C	ZINC001588465506	958504668	/nfs/dbraw/zinc/50/46/68/958504668.db2.gz	OCPMSNXYKDLAKA-DNSOKLHBSA-N	-1	0	255.270	0.331	20	30		CCEDRM
C=CCO[C@@H]1CCN(C(=O)[C@]2(C(=O)[O-])C[C@H]2C)C1	ZINC001573337459	958523924	/nfs/dbraw/zinc/52/39/24/958523924.db2.gz	NSEFXMDCDIEMSO-BREBYQMCSA-N	-1	0	253.298	0.901	20	30		CCEDRM
C=CCn1c([C@@H](O)CC)nnc1N1CC[C@@H](C(=O)[O-])C1	ZINC001588470656	958529338	/nfs/dbraw/zinc/52/93/38/958529338.db2.gz	QQZBXTDIEKTLQJ-ZJUUUORDSA-N	-1	0	280.328	0.818	20	30		CCEDRM
C=CCn1c([C@@H](O)COC)nnc1N1CC[C@@H](C(=O)[O-])C1	ZINC001588472134	958539845	/nfs/dbraw/zinc/53/98/45/958539845.db2.gz	JWWMPGVGWHEJRF-ZJUUUORDSA-N	-1	0	296.327	0.055	20	30		CCEDRM
C=CCn1cc(C(=O)O[C@@H](C(=O)[O-])C2CC2)nn1	ZINC001588475039	958560179	/nfs/dbraw/zinc/56/01/79/958560179.db2.gz	UXJQOBMBAZHVGF-SECBINFHSA-N	-1	0	251.242	0.484	20	30		CCEDRM
COc1ccc2c(c1OC)OCC2=NNCCC(=O)[O-]	ZINC001594117532	958563110	/nfs/dbraw/zinc/56/31/10/958563110.db2.gz	IINXJICFIXSNFT-UHFFFAOYSA-N	-1	0	280.280	0.865	20	30		CCEDRM
CC#CC[C@H](CO)NC(=O)/C=C/c1ccc(C(=O)[O-])o1	ZINC001588478909	958575481	/nfs/dbraw/zinc/57/54/81/958575481.db2.gz	PAPSRAYYNGXRPA-QEHWCHDUSA-N	-1	0	277.276	0.882	20	30		CCEDRM
C[C@@](C#N)(CC(=O)[O-])C(=O)N1CC[C@H](c2cc(=O)[nH][nH]2)C1	ZINC001573360568	958592490	/nfs/dbraw/zinc/59/24/90/958592490.db2.gz	VXIXOWQMVNCZMN-SDBXPKJASA-N	-1	0	292.295	0.436	20	30		CCEDRM
N#Cc1cccc(C(=O)N2CCOC[C@H]2CC(=O)[O-])c1	ZINC000129378246	958703234	/nfs/dbraw/zinc/70/32/34/958703234.db2.gz	GICCWJBLTLQOTN-GFCCVEGCSA-N	-1	0	274.276	0.874	20	30		CCEDRM
CC(C)(C)c1ccc(C#N)c(OCC(=O)NCC(=O)[O-])n1	ZINC001573462490	958919292	/nfs/dbraw/zinc/91/92/92/958919292.db2.gz	CKRYBDHQSWQCEF-UHFFFAOYSA-N	-1	0	291.307	0.830	20	30		CCEDRM
C[C@](C#N)(CC(=O)[O-])C(=O)N1CC2(C1)CCCOC2	ZINC001588536396	958934204	/nfs/dbraw/zinc/93/42/04/958934204.db2.gz	XPENWNTVRSBWKU-GFCCVEGCSA-N	-1	0	266.297	0.630	20	30		CCEDRM
C[C@](C#N)(CC(=O)[O-])C(=O)N[C@H]1CCN(CC(F)F)C1	ZINC001588538016	958937941	/nfs/dbraw/zinc/93/79/41/958937941.db2.gz	CBFHINJHEPXKKQ-QPUJVOFHSA-N	-1	0	289.282	0.447	20	30		CCEDRM
C[C@@](C#N)(CC(=O)[O-])C(=O)OCC[C@H]1CCOC1	ZINC001588539831	958953317	/nfs/dbraw/zinc/95/33/17/958953317.db2.gz	BHPKJKQJBRKNPC-SKDRFNHKSA-N	-1	0	255.270	0.961	20	30		CCEDRM
C[C@@H](C#N)CN(CN1C[C@@H](C(=O)[O-])CC1=O)C1CC1	ZINC001588542899	958974068	/nfs/dbraw/zinc/97/40/68/958974068.db2.gz	FOYKSYOSUUMJFV-UWVGGRQHSA-N	-1	0	265.313	0.501	20	30		CCEDRM
C#CC[C@@H](NC(=O)c1c(C)oc2nc[nH]c(=O)c21)C(=O)[O-]	ZINC000149559293	959019592	/nfs/dbraw/zinc/01/95/92/959019592.db2.gz	SNKLLVWNIRPCKJ-SSDOTTSWSA-N	-1	0	289.247	0.031	20	30		CCEDRM
C#CC[C@H](NC(=O)c1ccc2n[nH]cc2c1)C(=O)[O-]	ZINC000149737648	959026360	/nfs/dbraw/zinc/02/63/60/959026360.db2.gz	DNEUWVLQJGSGPV-NSHDSACASA-N	-1	0	257.249	0.769	20	30		CCEDRM
C#CC[C@@H](NC(=O)c1ccc(Cl)nc1)C(=O)[O-]	ZINC000149902002	959030654	/nfs/dbraw/zinc/03/06/54/959030654.db2.gz	LRBPXJSIACMLHY-MRVPVSSYSA-N	-1	0	252.657	0.941	20	30		CCEDRM
CC(C)[C@H](C#N)N1CCN(C(=O)[C@@H](C)C(=O)[O-])CC1	ZINC001588566097	959148812	/nfs/dbraw/zinc/14/88/12/959148812.db2.gz	TVWGTEYLNKFYKO-MNOVXSKESA-N	-1	0	267.329	0.399	20	30		CCEDRM
Cc1cc(C#N)cc(N2CCO[C@H](CC(=O)[O-])C2)n1	ZINC000160892985	959160988	/nfs/dbraw/zinc/16/09/88/959160988.db2.gz	HKFHLTHSUWFOKQ-LLVKDONJSA-N	-1	0	261.281	0.942	20	30		CCEDRM
C[C@@H](C(=O)[O-])C(=O)NCc1ccc(OCC#N)cc1	ZINC001588573326	959198933	/nfs/dbraw/zinc/19/89/33/959198933.db2.gz	BOJYLPVMKPPGHJ-SECBINFHSA-N	-1	0	262.265	0.926	20	30		CCEDRM
Cc1[nH]nc(NC(=O)[C@](C)(C#N)CC(=O)[O-])c1C#N	ZINC001594441318	959274977	/nfs/dbraw/zinc/27/49/77/959274977.db2.gz	FCFCKVFILNXXGK-NSHDSACASA-N	-1	0	261.241	0.533	20	30		CCEDRM
C[C@H](CC#N)C(=O)N1C[C@H]2COC[C@@]2(C(=O)[O-])C1	ZINC001573576000	959329442	/nfs/dbraw/zinc/32/94/42/959329442.db2.gz	IKUABGSGHHTIRO-PTRXPTGYSA-N	-1	0	252.270	0.096	20	30		CCEDRM
C[C@@](O)(CNC(=O)Nc1sccc1C#N)C(=O)[O-]	ZINC001573583284	959360948	/nfs/dbraw/zinc/36/09/48/959360948.db2.gz	SGDYDVRLQZBINI-SNVBAGLBSA-N	-1	0	269.282	0.577	20	30		CCEDRM
Cc1nnc([C@H]2CCN(C(=O)[C@](C)(C#N)CC(=O)[O-])C2)[nH]1	ZINC001594452040	959384564	/nfs/dbraw/zinc/38/45/64/959384564.db2.gz	UGSZEAGBCIQWOL-ZANVPECISA-N	-1	0	291.311	0.434	20	30		CCEDRM
C[C@@H]1C[C@@]1(C(=O)[O-])C(=O)NCc1cncc(C#N)c1	ZINC001594228297	959452905	/nfs/dbraw/zinc/45/29/05/959452905.db2.gz	YDCIJVAJTAVOIL-OQPBUACISA-N	-1	0	259.265	0.680	20	30		CCEDRM
C[C@@H]1C[C@@]1(C(=O)[O-])C(=O)OCC(=O)N(C)C(C)(C)C#N	ZINC001594232102	959482847	/nfs/dbraw/zinc/48/28/47/959482847.db2.gz	ZKJIZNCLXXQWRZ-AMIZOPFISA-N	-1	0	282.296	0.401	20	30		CCEDRM
CC(C)(C#N)CCCN1CCS(=O)(=O)C[C@@H]1C(=O)[O-]	ZINC001588607165	959484787	/nfs/dbraw/zinc/48/47/87/959484787.db2.gz	PXEJARFHVOSATA-SNVBAGLBSA-N	-1	0	288.369	0.500	20	30		CCEDRM
CC(C)(C(=O)[O-])C(=O)NCCNc1ncccc1C#N	ZINC001588618568	959533135	/nfs/dbraw/zinc/53/31/35/959533135.db2.gz	SXWHOMUDSXUAPR-UHFFFAOYSA-N	-1	0	276.296	0.592	20	30		CCEDRM
C[C@]1(C#N)CN(C(=O)Nc2cccnc2C(=O)[O-])CCO1	ZINC001573644295	959631827	/nfs/dbraw/zinc/63/18/27/959631827.db2.gz	XOZATTNTAXXSMC-ZDUSSCGKSA-N	-1	0	290.279	0.926	20	30		CCEDRM
COc1ccc(/C=C\C(=O)[O-])cc1OCC(=O)NCC#N	ZINC000207444925	959664962	/nfs/dbraw/zinc/66/49/62/959664962.db2.gz	VSAWLUPPNJJLKQ-HYXAFXHYSA-N	-1	0	290.275	0.812	20	30		CCEDRM
COCCN(CCC#N)C(=O)c1cc(C(=O)[O-])co1	ZINC000228146664	959991892	/nfs/dbraw/zinc/99/18/92/959991892.db2.gz	WBOBKOWSOJXJFG-UHFFFAOYSA-N	-1	0	266.253	0.980	20	30		CCEDRM
C[C@H](OC(=O)[C@](C)(C#N)CC(=O)[O-])C(=O)C1CC1	ZINC001603269164	972474170	/nfs/dbraw/zinc/47/41/70/972474170.db2.gz	UQUQXLBSEYLNGI-MADCSZMMSA-N	-1	0	253.254	0.902	20	30		CCEDRM
N#Cc1c[n-]n2c1nc(C[N@H+]1CC[C@H](C(=O)[O-])C1)cc2=O	ZINC001574248800	960501075	/nfs/dbraw/zinc/50/10/75/960501075.db2.gz	ODARCYRSNIKUPH-QMMMGPOBSA-N	-1	0	287.279	0.213	20	30		CCEDRM
CCC(C)(C)N(CCC#N)C(=O)c1cn(CC(=O)[O-])nn1	ZINC001573767595	960628659	/nfs/dbraw/zinc/62/86/59/960628659.db2.gz	BZQSLKSXTCWBHI-UHFFFAOYSA-N	-1	0	293.327	0.907	20	30		CCEDRM
N#Cc1n[nH]cc1NC(=O)c1cccc(OCC(=O)[O-])c1	ZINC001574479007	961647104	/nfs/dbraw/zinc/64/71/04/961647104.db2.gz	BCHDLNVJPVAXJD-UHFFFAOYSA-N	-1	0	286.247	0.997	20	30		CCEDRM
N#Cc1ccc(S(=O)(=O)N2CCC[C@@H]2C(=O)[O-])nc1	ZINC001574490108	961711599	/nfs/dbraw/zinc/71/15/99/961711599.db2.gz	WIVHAKBCZFNUGR-SECBINFHSA-N	-1	0	281.293	0.191	20	30		CCEDRM
COC(=O)CCN(CC(=O)[O-])C(=O)c1cnccc1C#N	ZINC001574056842	962195211	/nfs/dbraw/zinc/19/52/11/962195211.db2.gz	STXIRWFUYLUXQJ-UHFFFAOYSA-N	-1	0	291.263	0.043	20	30		CCEDRM
COC[C@@]1(C(=O)[O-])CN(c2cc(C)c(C#N)cn2)CCO1	ZINC001574143538	962601496	/nfs/dbraw/zinc/60/14/96/962601496.db2.gz	PSKAJWGRFSHRKJ-CQSZACIVSA-N	-1	0	291.307	0.568	20	30		CCEDRM
C#CCO[C@H](C)C(=O)N(C)c1ncc(C(=O)[O-])s1	ZINC001573311229	962696878	/nfs/dbraw/zinc/69/68/78/962696878.db2.gz	KFANSGKLDCCDQD-SSDOTTSWSA-N	-1	0	268.294	0.842	20	30		CCEDRM
C#Cc1cncc(C(=O)Nc2n[nH]c(CC(=O)[O-])n2)c1	ZINC001573314221	962745976	/nfs/dbraw/zinc/74/59/76/962745976.db2.gz	ZRMLSTRCYUPWRE-UHFFFAOYSA-N	-1	0	271.236	0.060	20	30		CCEDRM
C=C(C)C[C@@H](NC(=O)c1nc(C)c(C)[nH]c1=O)C(=O)[O-]	ZINC001573324034	962780290	/nfs/dbraw/zinc/78/02/90/962780290.db2.gz	MERNNCBYGCLQQG-SECBINFHSA-N	-1	0	279.296	0.536	20	30		CCEDRM
C=C(C)CCC(=O)N[C@@H](C)CN(C)C(=O)CNC(=O)[O-]	ZINC001573324203	962781533	/nfs/dbraw/zinc/78/15/33/962781533.db2.gz	OUONISZPMSMOMD-JTQLQIEISA-N	-1	0	285.344	0.573	20	30		CCEDRM
C=C(CCC(=O)[O-])C(=O)N(C)CC(=O)NC(C)(C)C	ZINC001573325723	962797998	/nfs/dbraw/zinc/79/79/98/962797998.db2.gz	NCGOYISGDSKUFA-UHFFFAOYSA-N	-1	0	270.329	0.781	20	30		CCEDRM
C=C(Cl)C[C@@H](NC(=O)COCC(=O)[O-])C(=O)OCC	ZINC001573329687	962812538	/nfs/dbraw/zinc/81/25/38/962812538.db2.gz	KFYTULZLMMKYTK-MRVPVSSYSA-N	-1	0	293.703	0.278	20	30		CCEDRM
C#CC[C@@H](NS(=O)(=O)c1ccc(F)c(C)c1)C(=O)[O-]	ZINC000275069270	962820425	/nfs/dbraw/zinc/82/04/25/962820425.db2.gz	WFBXIMUCFPOESM-LLVKDONJSA-N	-1	0	285.296	0.889	20	30		CCEDRM
C#CC[C@H](NS(=O)(=O)c1c(C)nn(CC)c1C)C(=O)[O-]	ZINC000275087169	962825685	/nfs/dbraw/zinc/82/56/85/962825685.db2.gz	ZVFSGCMRMPHTHF-JTQLQIEISA-N	-1	0	299.352	0.275	20	30		CCEDRM
C=C(CCC(=O)[O-])C(=O)N[C@@H]1CCc2nc[nH]c2C1	ZINC001573332279	962829265	/nfs/dbraw/zinc/82/92/65/962829265.db2.gz	GKCDADASLFLMFI-SECBINFHSA-N	-1	0	263.297	0.804	20	30		CCEDRM
C=C(Cl)CN1CC[C@H](NC(=O)CNC(=O)[O-])C[C@H]1C	ZINC001573338459	962875451	/nfs/dbraw/zinc/87/54/51/962875451.db2.gz	BKMQENPIZVBUDQ-ZJUUUORDSA-N	-1	0	289.763	0.976	20	30		CCEDRM
C=C(Cl)CN1C[C@@H](NC(=O)CNC(=O)[O-])C(C)(C)C1	ZINC001573339430	962890389	/nfs/dbraw/zinc/89/03/89/962890389.db2.gz	SMOKSFIQFKIVKO-SECBINFHSA-N	-1	0	289.763	0.833	20	30		CCEDRM
C#CC[C@@H](NS(=O)(=O)CCCCF)C(=O)[O-]	ZINC000287394340	962891729	/nfs/dbraw/zinc/89/17/29/962891729.db2.gz	DHNHASOVTKHCES-MRVPVSSYSA-N	-1	0	251.279	0.132	20	30		CCEDRM
C=C(Cl)CN1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1C[C@H]1C(=O)[O-]	ZINC001573344307	962914707	/nfs/dbraw/zinc/91/47/07/962914707.db2.gz	SMBHVIDSHVDTII-APLZJWDSSA-N	-1	0	284.743	0.506	20	30		CCEDRM
C=CCCO[C@H](C)C(=O)N(CC(=O)[O-])CC(=O)OC	ZINC001573360856	963044247	/nfs/dbraw/zinc/04/42/47/963044247.db2.gz	ZIWNMHYDVMUCBE-SECBINFHSA-N	-1	0	273.285	0.054	20	30		CCEDRM
C[C@H]1CN(C(=O)c2coc(C#N)c2)C[C@@H](C(=O)[O-])O1	ZINC001570983940	963107263	/nfs/dbraw/zinc/10/72/63/963107263.db2.gz	UOYIRAQZMGEQOD-XVKPBYJWSA-N	-1	0	264.237	0.465	20	30		CCEDRM
CC(C)(C#N)CS(=O)(=O)N[C@H]1CCC[C@H]1C(=O)[O-]	ZINC001573382228	963115555	/nfs/dbraw/zinc/11/55/55/963115555.db2.gz	VYRNMVDBKHUXCF-BDAKNGLRSA-N	-1	0	274.342	0.709	20	30		CCEDRM
C[C@@H]1CN(C(=O)c2cnccc2C#N)C[C@@H](C(=O)[O-])O1	ZINC001571001964	963219239	/nfs/dbraw/zinc/21/92/39/963219239.db2.gz	LGANVMJGMHXMKL-KCJUWKMLSA-N	-1	0	275.264	0.267	20	30		CCEDRM
N#Cc1cc(C(=O)NC[C@@H](C(=O)[O-])[C@H]2CCOC2)co1	ZINC001571007989	963255066	/nfs/dbraw/zinc/25/50/66/963255066.db2.gz	CHFNMWXTFVLDDL-GZMMTYOYSA-N	-1	0	278.264	0.618	20	30		CCEDRM
Cn1cc(C#N)c(NC(=O)NC2(C)CN(C(=O)[O-])C2)n1	ZINC001571010335	963281867	/nfs/dbraw/zinc/28/18/67/963281867.db2.gz	YNLLXWCOLHTMDO-UHFFFAOYSA-N	-1	0	278.272	0.166	20	30		CCEDRM
N#C[C@]1(C(=O)NCc2ocnc2C(=O)[O-])CCCOC1	ZINC001571010438	963283524	/nfs/dbraw/zinc/28/35/24/963283524.db2.gz	YEAQOIRVYBYNCH-GFCCVEGCSA-N	-1	0	279.252	0.309	20	30		CCEDRM
C=C[C@H](C(=O)[O-])[N@@H+]1CCC[C@H](CS(C)(=O)=O)C1	ZINC000310104724	963382176	/nfs/dbraw/zinc/38/21/76/963382176.db2.gz	COQWPRYLFGSEMF-VHSXEESVSA-N	-1	0	261.343	0.382	20	30		CCEDRM
N#CCCN1CCN(C(=O)[C@H]2CCC[C@H](C(=O)[O-])C2)CC1	ZINC000314624756	963779117	/nfs/dbraw/zinc/77/91/17/963779117.db2.gz	KWLANRFUWMJIPA-STQMWFEESA-N	-1	0	293.367	0.935	20	30		CCEDRM
C#CCCCCCC(=O)N1CCC[C@H]1C(=O)NCC(=O)[O-]	ZINC001588440753	964043111	/nfs/dbraw/zinc/04/31/11/964043111.db2.gz	OSHHDXZOIVSONR-LBPRGKRZSA-N	-1	0	294.351	0.762	20	30		CCEDRM
C=C(C)C[C@H]1NC(=O)N([C@H]2C[C@@H](C(=O)[O-])C2)C1=O	ZINC001588441055	964048257	/nfs/dbraw/zinc/04/82/57/964048257.db2.gz	DRCHVOGIJYCDDI-HRDYMLBCSA-N	-1	0	252.270	0.736	20	30		CCEDRM
C=C(C)Cn1cc(CN2CCC[C@H]2C(=O)[O-])nn1	ZINC001588443490	964061031	/nfs/dbraw/zinc/06/10/31/964061031.db2.gz	RSDZJPSOSHEFJX-NSHDSACASA-N	-1	0	250.302	0.903	20	30		CCEDRM
C#CCCCS(=O)(=O)N[C@H]1C[C@H]2C[C@@H](C(=O)[O-])C[C@H]21	ZINC001588446824	964079249	/nfs/dbraw/zinc/07/92/49/964079249.db2.gz	MCQOIIQUYXUBFK-KKOKHZNYSA-N	-1	0	285.365	0.819	20	30		CCEDRM
C#CCN(CC(=O)[O-])S(=O)(=O)c1ccc(F)c(C#N)c1	ZINC000092479793	967595615	/nfs/dbraw/zinc/59/56/15/967595615.db2.gz	HSIAPWWUEFEVNV-UHFFFAOYSA-N	-1	0	296.279	0.406	20	30		CCEDRM
C#CCN(CC(=O)[O-])C(=O)Nc1ccn(CC)n1	ZINC000305958751	967919966	/nfs/dbraw/zinc/91/99/66/967919966.db2.gz	FBUVPXDSGTUNMO-UHFFFAOYSA-N	-1	0	250.258	0.455	20	30		CCEDRM
C=CC[C@H](CC)NC(=O)c1cn(CC(=O)[O-])nn1	ZINC000393770216	968211525	/nfs/dbraw/zinc/21/15/25/968211525.db2.gz	XSDDHMXRRRUMTL-QMMMGPOBSA-N	-1	0	252.274	0.447	20	30		CCEDRM
C#C[C@H](NC(=O)N[C@@H](C)CC(=O)[O-])[C@@H]1CCCO1	ZINC001609623773	970422082	/nfs/dbraw/zinc/42/20/82/970422082.db2.gz	BESDMVJTMNBSTN-GUBZILKMSA-N	-1	0	254.286	0.330	20	30		CCEDRM
C#C[C@H](C)NC(=O)C1=NN(c2ccccc2)[C@@H](C(=O)[O-])C1	ZINC001609623966	970424241	/nfs/dbraw/zinc/42/42/41/970424241.db2.gz	PSYBZVUKXRRULO-GXFFZTMASA-N	-1	0	285.303	0.844	20	30		CCEDRM
C=C[C@@H]1OCC[C@H]1C(=O)N1CC[C@](C)(C(=O)[O-])C1	ZINC001609636905	970430907	/nfs/dbraw/zinc/43/09/07/970430907.db2.gz	SRNOCRPZQMUARE-NRUUGDAUSA-N	-1	0	253.298	0.901	20	30		CCEDRM
C[C@@](C#N)(CC(=O)[O-])C(=O)OCC(=O)[C@H]1CCCOC1	ZINC001609693056	970453363	/nfs/dbraw/zinc/45/33/63/970453363.db2.gz	RFCNAWZPRUSOSI-ZANVPECISA-N	-1	0	283.280	0.530	20	30		CCEDRM
C=CC[C@H](CO)NS(=O)(=O)c1csc(C(=O)[O-])c1	ZINC000320088649	970613058	/nfs/dbraw/zinc/61/30/58/970613058.db2.gz	CQSMXRXQQUCLIZ-SSDOTTSWSA-N	-1	0	291.350	0.662	20	30		CCEDRM
CC[C@H](OC(=O)[C@](C)(C#N)CC(=O)[O-])C(=O)OC	ZINC001610152200	970686565	/nfs/dbraw/zinc/68/65/65/970686565.db2.gz	SRMRRTCNGVUAJI-CPCISQLKSA-N	-1	0	257.242	0.486	20	30		CCEDRM
Cc1cc(C#N)cnc1C(=O)N1CC[C@H](C(=O)[O-])C1	ZINC001600076183	970755320	/nfs/dbraw/zinc/75/53/20/970755320.db2.gz	NEZFPAURFBQFMR-JTQLQIEISA-N	-1	0	259.265	0.808	20	30		CCEDRM
COC(=O)C1(C#N)CCN(C(=O)[C@H](C(=O)[O-])C2CC2)CC1	ZINC001604272164	972832276	/nfs/dbraw/zinc/83/22/76/972832276.db2.gz	RCZZQTYTWWEAHY-SNVBAGLBSA-N	-1	0	294.307	0.403	20	30		CCEDRM
Cc1ccc(CNC(=O)[C@@H]2CC(C(=O)[O-])=NO2)cc1C#N	ZINC001605273329	973060297	/nfs/dbraw/zinc/06/02/97/973060297.db2.gz	BFEONSNTWXYHCI-LBPRGKRZSA-N	-1	0	287.275	0.712	20	30		CCEDRM
C[C@@](O)(CNC(=O)c1ccc(CC#N)cc1)C(=O)[O-]	ZINC001604373179	973084901	/nfs/dbraw/zinc/08/49/01/973084901.db2.gz	GRBCRLZRWHTYDR-CYBMUJFWSA-N	-1	0	262.265	0.318	20	30		CCEDRM
CO[C@@H](C(=O)[O-])C(=O)N1CC(Nc2cccc(C#N)c2)C1	ZINC001604420055	973176597	/nfs/dbraw/zinc/17/65/97/973176597.db2.gz	HKXHUKUHHIKSQE-GFCCVEGCSA-N	-1	0	289.291	0.281	20	30		CCEDRM
CO[C@](C)(C(=O)[O-])C(=O)NCc1ccc(C#N)c(F)c1	ZINC001604462247	973310786	/nfs/dbraw/zinc/31/07/86/973310786.db2.gz	AXNLASQHGOCYCA-ZDUSSCGKSA-N	-1	0	280.255	0.803	20	30		CCEDRM
CO[C@@](C)(C(=O)[O-])C(=O)NCc1cccc(OCC#N)c1	ZINC001604463530	973322861	/nfs/dbraw/zinc/32/28/61/973322861.db2.gz	QQAWAOCBBRKRGD-CQSZACIVSA-N	-1	0	292.291	0.695	20	30		CCEDRM
C#C[C@H](CCC)NC(=O)N1C[C@H](O)C[C@@H](C(=O)[O-])C1	ZINC000401821037	973420607	/nfs/dbraw/zinc/42/06/07/973420607.db2.gz	DMPASDQMUFMUSO-GMTAPVOTSA-N	-1	0	268.313	0.265	20	30		CCEDRM
C#CCCCCC(=O)N1C[C@H](O)C[C@@H](C(=O)[O-])C1	ZINC000401877767	973483908	/nfs/dbraw/zinc/48/39/08/973483908.db2.gz	MSIMSJYWVLVJNU-GHMZBOCLSA-N	-1	0	253.298	0.474	20	30		CCEDRM
COC[C@@]1(C(=O)[O-])CN(c2ncc(C#N)cc2F)CCO1	ZINC001604564188	973622763	/nfs/dbraw/zinc/62/27/63/973622763.db2.gz	HKRKOAGECNGILM-CYBMUJFWSA-N	-1	0	295.270	0.399	20	30		CCEDRM
N#C[C@H]1CSCCN1C(=O)c1cc(C(=O)[O-])n[nH]1	ZINC001605581726	973861216	/nfs/dbraw/zinc/86/12/16/973861216.db2.gz	JROMYCGNUMYNHW-LURJTMIESA-N	-1	0	266.282	0.189	20	30		CCEDRM
N#CC[C@]1(O)CCN(C(=O)/C=C/c2ccc(C(=O)[O-])o2)C1	ZINC001605581946	973863002	/nfs/dbraw/zinc/86/30/02/973863002.db2.gz	PSPJQRPSSTWWNL-PMUGQKEBSA-N	-1	0	290.275	0.868	20	30		CCEDRM
N#C[C@@H]1CCCN(C(=O)NCC2(C(=O)[O-])CCOCC2)C1	ZINC001605582646	973865926	/nfs/dbraw/zinc/86/59/26/973865926.db2.gz	AQZKDQTUQTVPQG-NSHDSACASA-N	-1	0	295.339	0.813	20	30		CCEDRM
N#C[C@@H]1CN(C(=O)CCCCC(=O)[O-])CCN1C1CC1	ZINC001605583394	973873283	/nfs/dbraw/zinc/87/32/83/973873283.db2.gz	SPDVNECHXWBYCX-GFCCVEGCSA-N	-1	0	279.340	0.830	20	30		CCEDRM
N#CC1(NC(=O)COC(=O)[C@H](C(=O)[O-])C2CC2)CCC1	ZINC001605583539	973873547	/nfs/dbraw/zinc/87/35/47/973873547.db2.gz	VHDRZLHSOZQLGX-JTQLQIEISA-N	-1	0	280.280	0.203	20	30		CCEDRM
COc1c(O)ccc(C=NNCCC(=O)[O-])c1[N+](=O)[O-]	ZINC001604680789	973875090	/nfs/dbraw/zinc/87/50/90/973875090.db2.gz	UIJGUASVRDUEPI-UHFFFAOYSA-N	-1	0	283.240	0.707	20	30		CCEDRM
N#Cc1ccc(N[C@@H](Cc2ccncc2)C(=O)[O-])nn1	ZINC001605612927	973929393	/nfs/dbraw/zinc/92/93/93/973929393.db2.gz	TUTJUIULCRTHLB-NSHDSACASA-N	-1	0	269.264	0.851	20	30		CCEDRM
N#Cc1cnc(C(=O)N[C@]2(C(=O)[O-])CCOC2)c(Cl)c1	ZINC001605622877	973944791	/nfs/dbraw/zinc/94/47/91/973944791.db2.gz	GSVHBWHGAFUPLD-GFCCVEGCSA-N	-1	0	295.682	0.580	20	30		CCEDRM
CCCN(CC(=O)[O-])C(=O)C1(C#N)CCOCC1	ZINC001603660234	974029944	/nfs/dbraw/zinc/02/99/44/974029944.db2.gz	CLUCNWHDLTYVDE-UHFFFAOYSA-N	-1	0	254.286	0.630	20	30		CCEDRM
CCCN(CC(=O)[O-])[C@H](C(N)=O)c1ccc(C#N)cc1	ZINC001603666642	974037645	/nfs/dbraw/zinc/03/76/45/974037645.db2.gz	LKPGOVBCOZCFNO-ZDUSSCGKSA-N	-1	0	275.308	0.881	20	30		CCEDRM
CC(C)OC(=O)OCn1cc(C(=O)[O-])cc(C#N)c1=O	ZINC001591681961	975472850	/nfs/dbraw/zinc/47/28/50/975472850.db2.gz	CBKSIQDDLYPKLJ-UHFFFAOYSA-N	-1	0	280.236	0.937	20	30		CCEDRM
CC(C)[C@H](C#N)NS(=O)(=O)c1csnc1C(=O)[O-]	ZINC001591852558	976136747	/nfs/dbraw/zinc/13/67/47/976136747.db2.gz	NVVDUYIUZNBQTN-LURJTMIESA-N	-1	0	289.338	0.668	20	30		CCEDRM
C[C@@H](/C=C/C(=O)[O-])NS(=O)(=O)c1ccc(C#N)cn1	ZINC001592210184	977252389	/nfs/dbraw/zinc/25/23/89/977252389.db2.gz	BIOYKEUXBMSWKS-NCJLJLRUSA-N	-1	0	281.293	0.261	20	30		CCEDRM
C[C@@H](CC(=O)[O-])CC(=O)NCCNc1ccc(C#N)cn1	ZINC001592388571	977934303	/nfs/dbraw/zinc/93/43/03/977934303.db2.gz	YLEQSLKBBKKAEI-SNVBAGLBSA-N	-1	0	290.323	0.982	20	30		CCEDRM
C[C@H](CS(=O)(=O)N1CCC[C@@H](CC#N)C1)C(=O)[O-]	ZINC001592799771	979454760	/nfs/dbraw/zinc/45/47/60/979454760.db2.gz	ZNJKFSWBGXSOCS-ZJUUUORDSA-N	-1	0	274.342	0.663	20	30		CCEDRM
C[C@@H](Cc1c[nH]cn1)C(=O)N(CC#N)CCC(=O)[O-]	ZINC001592906400	979846012	/nfs/dbraw/zinc/84/60/12/979846012.db2.gz	GJPASPSAZRUZHC-VIFPVBQESA-N	-1	0	264.285	0.415	20	30		CCEDRM
C[C@@H](Cc1cnn(C)c1)C(=O)N(CC#N)CC(=O)[O-]	ZINC001592908638	979865487	/nfs/dbraw/zinc/86/54/87/979865487.db2.gz	FXYKXSAXENRXSG-VIFPVBQESA-N	-1	0	264.285	0.035	20	30		CCEDRM
CCCC[C@H](ON=C(C)C)C(=O)N[C@](C)(CO)C(=O)[O-]	ZINC001595652862	982038177	/nfs/dbraw/zinc/03/81/77/982038177.db2.gz	YDOSJSPZVSYUDT-GXFFZTMASA-N	-1	0	288.344	0.909	20	30		CCEDRM
CC[C@H](C)[C@H](NC(=O)CN1CC[C@](F)(C#N)C1)C(=O)[O-]	ZINC001594893916	982312495	/nfs/dbraw/zinc/31/24/95/982312495.db2.gz	XQDRFGQZLLNRCZ-GAFUQQFSSA-N	-1	0	285.319	0.539	20	30		CCEDRM
CCCN(CC(=O)[O-])C(=O)[C@H](O)c1ccc(C#N)cc1	ZINC001595846522	982775296	/nfs/dbraw/zinc/77/52/96/982775296.db2.gz	KXARLUFWSZHGMW-CYBMUJFWSA-N	-1	0	276.292	0.915	20	30		CCEDRM
C#CC[C@H](NC(=O)c1cccc2c1oc(=O)n2C)C(=O)[O-]	ZINC001573303730	983040194	/nfs/dbraw/zinc/04/01/94/983040194.db2.gz	RFTAWSBWUZFWQN-VIFPVBQESA-N	-1	0	288.259	0.338	20	30		CCEDRM
C#C[C@H](C)NC(=O)N[C@H]1CCCn2nc(C(=O)[O-])cc21	ZINC001588368018	983302691	/nfs/dbraw/zinc/30/26/91/983302691.db2.gz	FMIIRVUCWZQEDS-IUCAKERBSA-N	-1	0	276.296	0.737	20	30		CCEDRM
C#C[C@H](C)N(C)C(=O)NC[C@H]1CCO[C@H]1C(=O)[O-]	ZINC001588368235	983304467	/nfs/dbraw/zinc/30/44/67/983304467.db2.gz	ISKSFTMJVAOPBY-IVZWLZJFSA-N	-1	0	254.286	0.139	20	30		CCEDRM
C#C[C@H](CC)NS(=O)(=O)c1cccnc1C(=O)[O-]	ZINC001588369740	983316869	/nfs/dbraw/zinc/31/68/69/983316869.db2.gz	VAZYSUMCMXXKDA-MRVPVSSYSA-N	-1	0	268.294	0.470	20	30		CCEDRM
C#C[C@@H](NC(=O)NC[C@H]1C[C@H]1C(=O)[O-])[C@@H]1CCCO1	ZINC001588371962	983326586	/nfs/dbraw/zinc/32/65/86/983326586.db2.gz	ASMRUXOQXKHHSY-DBIOUOCHSA-N	-1	0	266.297	0.187	20	30		CCEDRM
C#C[C@H](NC(=O)N1CC[C@@](OC)(C(=O)[O-])C1)[C@@H]1CCCO1	ZINC001588373088	983336725	/nfs/dbraw/zinc/33/67/25/983336725.db2.gz	ZRMAZLWRNHJTEC-MJVIPROJSA-N	-1	0	296.323	0.052	20	30		CCEDRM
C#C[C@@H](NS(=O)(=O)c1cc(C(=O)[O-])[nH]n1)C(C)C	ZINC001588376683	983353169	/nfs/dbraw/zinc/35/31/69/983353169.db2.gz	GDNHQNCHYPSPJR-SSDOTTSWSA-N	-1	0	271.298	0.044	20	30		CCEDRM
C#C[C@H]1CCCN(CC(=O)N[C@@H](CC(C)C)C(=O)[O-])C1	ZINC001588382740	983374023	/nfs/dbraw/zinc/37/40/23/983374023.db2.gz	GXXDNEUTMPEDHM-STQMWFEESA-N	-1	0	280.368	0.947	20	30		CCEDRM
C#C[C@@H]1CCCN(S(=O)(=O)CC2(C(=O)[O-])CC2)C1	ZINC001588382899	983375248	/nfs/dbraw/zinc/37/52/48/983375248.db2.gz	JLQNXYKNUXHWCL-SNVBAGLBSA-N	-1	0	271.338	0.526	20	30		CCEDRM
C#C[C@@H]1COCCN1S(=O)(=O)c1cc(C)c(C(=O)[O-])o1	ZINC001588383532	983381917	/nfs/dbraw/zinc/38/19/17/983381917.db2.gz	CNOXJIRLMBHLEF-SECBINFHSA-N	-1	0	299.304	0.309	20	30		CCEDRM
C#CC[C@@H](COC)NC(=O)Nc1cc(C(=O)[O-])n(C)c1	ZINC001588393643	983399178	/nfs/dbraw/zinc/39/91/78/983399178.db2.gz	DLCLCDUSUFAOIR-VIFPVBQESA-N	-1	0	279.296	0.883	20	30		CCEDRM
C#CC[C@H](COC)NC(=O)NCc1cc(C(=O)[O-])co1	ZINC001588395383	983405440	/nfs/dbraw/zinc/40/54/40/983405440.db2.gz	QKRWFVMDMYMCAK-SNVBAGLBSA-N	-1	0	280.280	0.815	20	30		CCEDRM
C#CC[C@@H](NC(=O)[C@@H](C)NC(=O)CC(C)(C)C)C(=O)[O-]	ZINC001588399240	983415438	/nfs/dbraw/zinc/41/54/38/983415438.db2.gz	SJZUDFRMZVITAC-NXEZZACHSA-N	-1	0	282.340	0.520	20	30		CCEDRM
C#CC[C@@H](NC(=O)C(F)(F)C1(O)CCC1)C(=O)[O-]	ZINC001588399899	983417028	/nfs/dbraw/zinc/41/70/28/983417028.db2.gz	YINPUTMEUVPRRN-SSDOTTSWSA-N	-1	0	261.224	0.129	20	30		CCEDRM
C#CC[C@@H](NC(=O)C[C@@H]1OC(=O)c2ccccc21)C(=O)[O-]	ZINC001588405370	983421306	/nfs/dbraw/zinc/42/13/06/983421306.db2.gz	GWQWFIBXTOMZDU-NEPJUHHUSA-N	-1	0	287.271	0.881	20	30		CCEDRM
C#CC[C@@H](NC(=O)CCCN(C)C(=O)OC)C(=O)[O-]	ZINC001588407078	983427316	/nfs/dbraw/zinc/42/73/16/983427316.db2.gz	VZNYFYUTNCTCON-SECBINFHSA-N	-1	0	270.285	0.058	20	30		CCEDRM
C#CC[C@@H](NC(=O)CCC(C)(C)C(C)=O)C(=O)[O-]	ZINC001588407353	983427962	/nfs/dbraw/zinc/42/79/62/983427962.db2.gz	ZBCXQHANPFHEIY-SNVBAGLBSA-N	-1	0	253.298	0.975	20	30		CCEDRM
C#CC[C@@H](NC(=O)c1cc(OC)c(O)c(OC)c1)C(=O)[O-]	ZINC001588413811	983432245	/nfs/dbraw/zinc/43/22/45/983432245.db2.gz	IYSDUZPFUFWOCA-SECBINFHSA-N	-1	0	293.275	0.616	20	30		CCEDRM
C#CC[C@H](NC(=O)c1cccc(C(=O)OC)n1)C(=O)[O-]	ZINC001588415940	983436054	/nfs/dbraw/zinc/43/60/54/983436054.db2.gz	ILNCOURVHJBTOQ-VIFPVBQESA-N	-1	0	276.248	0.075	20	30		CCEDRM
C#CC[C@H](NC(=O)c1cccc2[nH]c(CO)nc21)C(=O)[O-]	ZINC001588416544	983437168	/nfs/dbraw/zinc/43/71/68/983437168.db2.gz	PLMFVLRRDOVKBT-JTQLQIEISA-N	-1	0	287.275	0.262	20	30		CCEDRM
C#CC[C@H](NS(=O)(=O)CCOCC1CCC1)C(=O)[O-]	ZINC001588424046	983454425	/nfs/dbraw/zinc/45/44/25/983454425.db2.gz	RIWVYLCKRRAXQU-NSHDSACASA-N	-1	0	289.353	0.199	20	30		CCEDRM
C#CC[C@H]1CCCN(C(=O)C(=O)NCCCC(=O)[O-])C1	ZINC001588431808	983465848	/nfs/dbraw/zinc/46/58/48/983465848.db2.gz	NVROAEVJZUGJAC-NSHDSACASA-N	-1	0	280.324	0.229	20	30		CCEDRM
C#CC[C@@H]1CCCN(C(=O)C(=O)N2CC[C@@H](C(=O)[O-])C2)C1	ZINC001588431995	983466727	/nfs/dbraw/zinc/46/67/27/983466727.db2.gz	UNNKBDRUXIJRBS-VXGBXAGGSA-N	-1	0	292.335	0.181	20	30		CCEDRM
C#CC[C@H]1CCN(S(=O)(=O)c2cc(C(=O)[O-])no2)C1	ZINC001588434514	983470329	/nfs/dbraw/zinc/47/03/29/983470329.db2.gz	MCPWQPQSJOWWOH-QMMMGPOBSA-N	-1	0	284.293	0.407	20	30		CCEDRM
C#CCCNS(=O)(=O)[C@@H]1CCCC[C@H]1C(=O)[O-]	ZINC001588453780	983477534	/nfs/dbraw/zinc/47/75/34/983477534.db2.gz	SWCZVSSREPKHEL-NXEZZACHSA-N	-1	0	259.327	0.573	20	30		CCEDRM
C#CCCOC(=O)N1CCC[C@H](n2cc(C(=O)[O-])nn2)C1	ZINC001588455476	983479778	/nfs/dbraw/zinc/47/97/78/983479778.db2.gz	NQHQTIJEYRYJLR-JTQLQIEISA-N	-1	0	292.295	0.773	20	30		CCEDRM
C#CCCn1nnnc1N1CCC2(C[C@@H]2C(=O)[O-])CC1	ZINC001588457883	983482428	/nfs/dbraw/zinc/48/24/28/983482428.db2.gz	IJABOWIQPSLLOU-SNVBAGLBSA-N	-1	0	275.312	0.388	20	30		CCEDRM
C#CCN(C1CC1)S(=O)(=O)c1n[nH]c(C)c1C(=O)[O-]	ZINC001588463788	983492309	/nfs/dbraw/zinc/49/23/09/983492309.db2.gz	KWBIIFMCCCLVJJ-UHFFFAOYSA-N	-1	0	283.309	0.203	20	30		CCEDRM
C#CCN(CC(=O)N[C@H](CC(C)C)C(=O)[O-])C1CSC1	ZINC001588465853	983496853	/nfs/dbraw/zinc/49/68/53/983496853.db2.gz	KPUAQOCATHJPOQ-GFCCVEGCSA-N	-1	0	298.408	0.653	20	30		CCEDRM
C#CCN1CCC[C@H](NC(=O)N[C@H]2C[C@@H](C(=O)[O-])C2)C1	ZINC001588476230	983510691	/nfs/dbraw/zinc/51/06/91/983510691.db2.gz	LVIAKAPFMVBCSN-SDDRHHMPSA-N	-1	0	279.340	0.246	20	30		CCEDRM
C#CCNC(=O)C1CCN(c2cnc(C(=O)[O-])cn2)CC1	ZINC001588479456	983519838	/nfs/dbraw/zinc/51/98/38/983519838.db2.gz	OZHHYWPUBICKLC-UHFFFAOYSA-N	-1	0	288.307	0.141	20	30		CCEDRM
C#CCSCC(=O)N1CCSC[C@@H]1CC(=O)[O-]	ZINC001588504829	983548874	/nfs/dbraw/zinc/54/88/74/983548874.db2.gz	MZAIRJASAKUHCR-VIFPVBQESA-N	-1	0	273.379	0.772	20	30		CCEDRM
C#CCSCC(=O)N[C@H]1C[C@H]2C[C@H](C(=O)[O-])C[C@H]21	ZINC001588505970	983550611	/nfs/dbraw/zinc/55/06/11/983550611.db2.gz	CBQLHTQJKAEPDK-YTWAJWBKSA-N	-1	0	267.350	0.968	20	30		CCEDRM
C#CCn1ccc(CN(CCOC)[C@@H](C=C)C(=O)[O-])n1	ZINC001588510497	983556115	/nfs/dbraw/zinc/55/61/15/983556115.db2.gz	HYFQXOZJNKEDHD-ZDUSSCGKSA-N	-1	0	277.324	0.604	20	30		CCEDRM
C#CCn1ccc(CN(CCOC)[C@@H](CC=C)C(=O)[O-])n1	ZINC001588511247	983558705	/nfs/dbraw/zinc/55/87/05/983558705.db2.gz	TVOXNSOQDQJXIC-AWEZNQCLSA-N	-1	0	291.351	0.994	20	30		CCEDRM
C#Cc1ccc(CNS(=O)(=O)C[C@H](C)C(=O)[O-])cc1	ZINC001588517675	983566158	/nfs/dbraw/zinc/56/61/58/983566158.db2.gz	YVEQWALPTGBHHI-JTQLQIEISA-N	-1	0	281.333	0.808	20	30		CCEDRM
C=C(C)[C@@H](CC(=O)NCCn1cc(C(=O)[O-])nn1)OCC	ZINC001588529605	983581711	/nfs/dbraw/zinc/58/17/11/983581711.db2.gz	BFKIVLNOGPCQME-LLVKDONJSA-N	-1	0	296.327	0.464	20	30		CCEDRM
C=C(C)C(C)(C)C(=O)N(C)CCNC(=O)[C@@H]1C[C@H]1C(=O)[O-]	ZINC001588529972	983583067	/nfs/dbraw/zinc/58/30/67/983583067.db2.gz	OFJQQNNKTZTCNG-GHMZBOCLSA-N	-1	0	296.367	0.884	20	30		CCEDRM
C=C(C)C[C@@H](NC(=O)/C=C1/SCC(=O)N1C)C(=O)[O-]	ZINC001588540323	983603469	/nfs/dbraw/zinc/60/34/69/983603469.db2.gz	CYHRFIJVRHOUDJ-ITXLNXHTSA-N	-1	0	284.337	0.569	20	30		CCEDRM
C=C(C)C[C@@H](NC(=O)C[C@H]1CCC(=O)N1)C(=O)[O-]	ZINC001588540374	983603547	/nfs/dbraw/zinc/60/35/47/983603547.db2.gz	DUTYPSKQMZSKSY-RKDXNWHRSA-N	-1	0	254.286	0.191	20	30		CCEDRM
C=C(C)C[C@H](NC(=O)c1cc(CO)on1)C(=O)[O-]	ZINC001588544190	983613384	/nfs/dbraw/zinc/61/33/84/983613384.db2.gz	WOGPXAWXZCUZEK-VIFPVBQESA-N	-1	0	254.242	0.316	20	30		CCEDRM
CCN(C[C@@H](C)C#N)C(=O)COC(=O)C1(C(=O)[O-])CC1	ZINC001596229556	983621387	/nfs/dbraw/zinc/62/13/87/983621387.db2.gz	ADBIRBGTEGCBMK-VIFPVBQESA-N	-1	0	282.296	0.403	20	30		CCEDRM
C=C(C)C[C@H](NC(C)=O)C(=O)N1CC[C@@](C)(C(=O)[O-])C1	ZINC001588547866	983621880	/nfs/dbraw/zinc/62/18/80/983621880.db2.gz	OMGNTLWRPNFCIM-SMDDNHRTSA-N	-1	0	282.340	0.781	20	30		CCEDRM
C=C(C)C[C@H](NC(C)=O)C(=O)N1CCC[C@H](C(=O)[O-])C1	ZINC001588547949	983622407	/nfs/dbraw/zinc/62/24/07/983622407.db2.gz	OURZNNABFKFKIV-RYUDHWBXSA-N	-1	0	282.340	0.781	20	30		CCEDRM
C=C(C)CCC(=O)N1CC(=O)N(C)C[C@H]1C(=O)[O-]	ZINC001588554345	983630216	/nfs/dbraw/zinc/63/02/16/983630216.db2.gz	DQOBLLUVUGOSCH-VIFPVBQESA-N	-1	0	254.286	0.097	20	30		CCEDRM
C=C(C)C[C@H]1NC(=O)N(C/C=C(\C)C(=O)[O-])C1=O	ZINC001588554940	983632745	/nfs/dbraw/zinc/63/27/45/983632745.db2.gz	VFFSBTIAQORBMU-VGANXODHSA-N	-1	0	252.270	0.904	20	30		CCEDRM
C=C(C)CCC(=O)NC[C@@H](C)Nc1ccnc(C(=O)[O-])n1	ZINC001588554984	983632751	/nfs/dbraw/zinc/63/27/51/983632751.db2.gz	WKIPJSUXKGJHAB-SNVBAGLBSA-N	-1	0	292.339	0.870	20	30		CCEDRM
C=C(C)C[C@H](NS(=O)(=O)Cc1nocc1C)C(=O)[O-]	ZINC001588555173	983633465	/nfs/dbraw/zinc/63/34/65/983633465.db2.gz	AETFBAOJZGDRGF-VIFPVBQESA-N	-1	0	288.325	0.822	20	30		CCEDRM
C=C(C)Cn1c(C)nnc1N1C[C@H](C)O[C@H](C(=O)[O-])C1	ZINC001588590736	983670684	/nfs/dbraw/zinc/67/06/84/983670684.db2.gz	BTCHRZQVBOLVNS-ONGXEEELSA-N	-1	0	280.328	0.841	20	30		CCEDRM
C=C(CC(C)C)C(=O)N1CCC[C@H]1C(=O)NCC(=O)[O-]	ZINC001588605218	983691315	/nfs/dbraw/zinc/69/13/15/983691315.db2.gz	DCSYLYVEPUWECX-NSHDSACASA-N	-1	0	282.340	0.781	20	30		CCEDRM
C=C(CC)C(=O)N1C[C@H](C(=O)[O-])[C@H](C(=O)OC)C1	ZINC001588605586	983693609	/nfs/dbraw/zinc/69/36/09/983693609.db2.gz	HKWPDKJUHXHLBL-DTWKUNHWSA-N	-1	0	255.270	0.285	20	30		CCEDRM
C=C(CC)CNC(=O)C(=O)N1C[C@@H](C)[C@H](CC(=O)[O-])C1	ZINC001588605642	983693850	/nfs/dbraw/zinc/69/38/50/983693850.db2.gz	JQOFQEVMZSLAIU-GHMZBOCLSA-N	-1	0	282.340	0.638	20	30		CCEDRM
C=C(C)[C@H]1OCC[C@H]1C(=O)O[C@H](CC(=O)OC)C(=O)[O-]	ZINC001588606353	983697336	/nfs/dbraw/zinc/69/73/36/983697336.db2.gz	YIYDXSHWCDUYSA-FXPVBKGRSA-N	-1	0	286.280	0.527	20	30		CCEDRM
C=C(CCC(=O)[O-])C(=O)N(CC)CCC(=O)OC	ZINC001588612562	983703394	/nfs/dbraw/zinc/70/33/94/983703394.db2.gz	SBHONEKSXRKNKO-UHFFFAOYSA-N	-1	0	257.286	0.819	20	30		CCEDRM
C=C(CCC(=O)[O-])C(=O)N(CC(N)=O)CC(C)C	ZINC001588612661	983703820	/nfs/dbraw/zinc/70/38/20/983703820.db2.gz	VHJOIOXVYJNTTM-UHFFFAOYSA-N	-1	0	256.302	0.377	20	30		CCEDRM
C=C(CCC(=O)[O-])C(=O)N1CC[C@@H](Nc2ncccn2)C1	ZINC001588613947	983705829	/nfs/dbraw/zinc/70/58/29/983705829.db2.gz	HQXRKBNVVVRNNP-LLVKDONJSA-N	-1	0	290.323	0.910	20	30		CCEDRM
C=C(CCC(=O)[O-])C(=O)N1CCC(O)(COC)CC1	ZINC001588614224	983706853	/nfs/dbraw/zinc/70/68/53/983706853.db2.gz	OMKXKFZXRCQVNH-UHFFFAOYSA-N	-1	0	271.313	0.407	20	30		CCEDRM
C=C(CCC(=O)[O-])C(=O)N1CCN(CC)C(=O)C1	ZINC001588615507	983712319	/nfs/dbraw/zinc/71/23/19/983712319.db2.gz	WQDUZUBNAJYMJS-UHFFFAOYSA-N	-1	0	254.286	0.098	20	30		CCEDRM
C=C(CCC(=O)[O-])C(=O)N[C@@]1(CCO)CCOC1	ZINC001588621478	983719127	/nfs/dbraw/zinc/71/91/27/983719127.db2.gz	DYZXQMQGHMBDGN-LBPRGKRZSA-N	-1	0	257.286	0.065	20	30		CCEDRM
C=C(CCC(=O)[O-])C(=O)N[C@H](C)c1noc(C)n1	ZINC001588621699	983720559	/nfs/dbraw/zinc/72/05/59/983720559.db2.gz	IMRSAGYATQOIQP-SSDOTTSWSA-N	-1	0	253.258	0.976	20	30		CCEDRM
C=C(CCC(=O)[O-])C(=O)NC1(CC(=O)OC)CCOCC1	ZINC001588621880	983721446	/nfs/dbraw/zinc/72/14/46/983721446.db2.gz	LQTJFUVRDUJGPY-UHFFFAOYSA-N	-1	0	299.323	0.636	20	30		CCEDRM
C=C(CCC(=O)[O-])C(=O)NC[C@H](C)c1nncn1C	ZINC001588623004	983725987	/nfs/dbraw/zinc/72/59/87/983725987.db2.gz	JCVKBFYKKOYQJG-VIFPVBQESA-N	-1	0	266.301	0.456	20	30		CCEDRM
C=C(CCC(=O)[O-])C(=O)NCC[C@@H]1CC(=O)N(C)C1	ZINC001588624380	983731471	/nfs/dbraw/zinc/73/14/71/983731471.db2.gz	HBQQABAPLABEQG-SNVBAGLBSA-N	-1	0	268.313	0.392	20	30		CCEDRM
C=C(CCC(=O)[O-])C(=O)NCc1cn(CCC)nn1	ZINC001588629915	983740340	/nfs/dbraw/zinc/74/03/40/983740340.db2.gz	MTZVPGZCVCAICO-UHFFFAOYSA-N	-1	0	266.301	0.725	20	30		CCEDRM
C=C(CCC(=O)[O-])C(=O)NCc1nccc(N)n1	ZINC001588630076	983741363	/nfs/dbraw/zinc/74/13/63/983741363.db2.gz	PWQTURVRWQZEAA-UHFFFAOYSA-N	-1	0	250.258	0.096	20	30		CCEDRM
C=C(CCC(=O)OC)C(=O)N[C@H](C)/C=C\C(=O)[O-]	ZINC001588632840	983746610	/nfs/dbraw/zinc/74/66/10/983746610.db2.gz	BXBLPYNUOAYRGL-SSJHQANKSA-N	-1	0	255.270	0.641	20	30		CCEDRM
C=C(CCC(=O)OC)C(=O)N[C@@](C)(C(=O)[O-])C1CC1	ZINC001588633607	983750558	/nfs/dbraw/zinc/75/05/58/983750558.db2.gz	PZLYRNVKIXLPSL-CYBMUJFWSA-N	-1	0	269.297	0.865	20	30		CCEDRM
C=C(CO)C(=O)N(CCC(=O)[O-])C[C@@H]1CCCO1	ZINC001588636998	983757912	/nfs/dbraw/zinc/75/79/12/983757912.db2.gz	BZNGQJJUGGJMJO-JTQLQIEISA-N	-1	0	257.286	0.017	20	30		CCEDRM
C=C(CO)C(=O)N1CCc2cc(C(=O)[O-])ccc2C1	ZINC001588637023	983758035	/nfs/dbraw/zinc/75/80/35/983758035.db2.gz	CMEYJWJJAAPVJH-UHFFFAOYSA-N	-1	0	261.277	0.818	20	30		CCEDRM
C=C(CO)C(=O)N1CCc2ccccc2[C@@H]1C(=O)[O-]	ZINC001588637615	983760608	/nfs/dbraw/zinc/76/06/08/983760608.db2.gz	RVKMKDACDGFTSW-GFCCVEGCSA-N	-1	0	261.277	0.746	20	30		CCEDRM
C=C(CO)C(=O)N[C@@H](C)c1ccc(OCC(=O)[O-])cc1	ZINC001588637739	983761201	/nfs/dbraw/zinc/76/12/01/983761201.db2.gz	UUMPCGCYVXMGDP-JTQLQIEISA-N	-1	0	279.292	0.876	20	30		CCEDRM
C=C(Cl)CN(C)CCCNC(=O)[C@H]1C[C@H]1C(=O)[O-]	ZINC001588642382	983764208	/nfs/dbraw/zinc/76/42/08/983764208.db2.gz	TWPWXEDTJZLDKJ-VHSXEESVSA-N	-1	0	274.748	0.898	20	30		CCEDRM
C=C(Cl)CN1CC(NC(=O)[C@@H]2C[C@@H]2C(=O)[O-])C1	ZINC001588642660	983764977	/nfs/dbraw/zinc/76/49/77/983764977.db2.gz	ZYOOUURJWHAOPO-BDAKNGLRSA-N	-1	0	258.705	0.260	20	30		CCEDRM
C=C[C@H](C(=O)[O-])N1CCN(Cc2cscn2)CC1	ZINC001588669886	983816549	/nfs/dbraw/zinc/81/65/49/983816549.db2.gz	RBHRICITCCROCJ-LLVKDONJSA-N	-1	0	267.354	0.900	20	30		CCEDRM
C=C[C@H](C(=O)OC)N1CCC2(C[C@@H]2C(=O)[O-])CC1	ZINC001588671725	983821714	/nfs/dbraw/zinc/82/17/14/983821714.db2.gz	HJTNINNPOMQVTC-NXEZZACHSA-N	-1	0	253.298	0.901	20	30		CCEDRM
C=C[C@@H](C(=O)[O-])n1cc(C[C@@H](CC)C(=O)OC)nn1	ZINC001588672574	983826243	/nfs/dbraw/zinc/82/62/43/983826243.db2.gz	WHGFMKQUUAMZSO-SCZZXKLOSA-N	-1	0	267.285	0.832	20	30		CCEDRM
C=C[C@](C)(CCOC)C(=O)N1C[C@H](O)C[C@H](C(=O)[O-])C1	ZINC001588682556	983844278	/nfs/dbraw/zinc/84/42/78/983844278.db2.gz	NRQUIWXTRXEZLJ-MISXGVKJSA-N	-1	0	285.340	0.509	20	30		CCEDRM
C=C[C@](C)(O)c1cn(CC2(CC(=O)[O-])CC2)nn1	ZINC001588684760	983863532	/nfs/dbraw/zinc/86/35/32/983863532.db2.gz	XRZRYIKUMPQJEG-NSHDSACASA-N	-1	0	251.286	0.927	20	30		CCEDRM
C=C[C@H](CC)OC(=O)CN1CCC[C@H](C(=O)[O-])C1=O	ZINC001588692460	983882654	/nfs/dbraw/zinc/88/26/54/983882654.db2.gz	BYUHEEIEZHXNKY-ZJUUUORDSA-N	-1	0	269.297	0.817	20	30		CCEDRM
C=C[C@H](COC)NC(=O)N(C)[C@H]1C[C@@H](C(=O)[O-])C1	ZINC001588693023	983889296	/nfs/dbraw/zinc/88/92/96/983889296.db2.gz	PFUFVAAKLJDLMA-BBBLOLIVSA-N	-1	0	256.302	0.692	20	30		CCEDRM
C=C[C@@H](N[C@@H](Cc1ccccc1)C(=O)OC)C(=O)[O-]	ZINC001588697198	983904041	/nfs/dbraw/zinc/90/40/41/983904041.db2.gz	RZBFTBFHIZWWTI-NEPJUHHUSA-N	-1	0	263.293	1.000	20	30		CCEDRM
C=C[C@H](O)C(=O)OCC(=O)C(CC)(CC)C(=O)[O-]	ZINC001588706382	983930787	/nfs/dbraw/zinc/93/07/87/983930787.db2.gz	YPVJYMHRNKUYRS-QMMMGPOBSA-N	-1	0	258.270	0.537	20	30		CCEDRM
C=C[C@H](OC(=O)[C@@H]1CC[C@H](C(=O)OC)C1)C(=O)[O-]	ZINC001588710695	983933670	/nfs/dbraw/zinc/93/36/70/983933670.db2.gz	HNLHCTBKPABXKQ-YIZRAAEISA-N	-1	0	256.254	0.758	20	30		CCEDRM
C=C[C@H](OC(=O)[C@@H]1CC[C@H](C(=O)[O-])O1)C(=O)OCC	ZINC001588710756	983934462	/nfs/dbraw/zinc/93/44/62/983934462.db2.gz	IUVQJSDHAHFKKN-YIZRAAEISA-N	-1	0	272.253	0.280	20	30		CCEDRM
C=C[C@H](OC(=O)/C=C/COC1CCOCC1)C(=O)[O-]	ZINC001588710723	983934570	/nfs/dbraw/zinc/93/45/70/983934570.db2.gz	IBUMJNOLLJCVJD-UFFNRZRYSA-N	-1	0	270.281	0.921	20	30		CCEDRM
C=C[C@@H](OC(=O)[C@H]1CCc2cnn(C)c2C1)C(=O)[O-]	ZINC001588712583	983945429	/nfs/dbraw/zinc/94/54/29/983945429.db2.gz	XOFIANFDWSHOCP-GZMMTYOYSA-N	-1	0	264.281	0.707	20	30		CCEDRM
C=C[C@H](Sc1nnnn1C[C@H]1CCCO1)C(=O)[O-]	ZINC001588715063	983954645	/nfs/dbraw/zinc/95/46/45/983954645.db2.gz	SZEQUZDCYHGBAY-SFYZADRCSA-N	-1	0	270.314	0.583	20	30		CCEDRM
C=CCC(C)(C)C(=O)N1C[C@@H](C(=O)[O-])[C@H](C(=O)OC)C1	ZINC001588731929	984013963	/nfs/dbraw/zinc/01/39/63/984013963.db2.gz	QVCGUSOBPNWXKA-NXEZZACHSA-N	-1	0	283.324	0.921	20	30		CCEDRM
C=CC[C@@H](C(=O)[O-])N1CCS(=O)(=O)C(C)(C)C1	ZINC001588732221	984015684	/nfs/dbraw/zinc/01/56/84/984015684.db2.gz	WLQGYENUTBODTG-VIFPVBQESA-N	-1	0	261.343	0.525	20	30		CCEDRM
C=CC[C@H](OC(=O)C(C)(C)NC(=O)OC)C(=O)[O-]	ZINC001588751361	984076483	/nfs/dbraw/zinc/07/64/83/984076483.db2.gz	MDZJSVLFZTXGET-ZETCQYMHSA-N	-1	0	259.258	0.694	20	30		CCEDRM
C=CC[C@@H](OC(=O)CN(C)[C@@H]1CCSC1)C(=O)[O-]	ZINC001588753237	984083628	/nfs/dbraw/zinc/08/36/28/984083628.db2.gz	CXAQTVDSSLMQKV-NXEZZACHSA-N	-1	0	273.354	0.996	20	30		CCEDRM
C=CC[C@H](OC(=O)[C@@H]1CC[C@@H]1C(=O)OC)C(=O)[O-]	ZINC001588757409	984103117	/nfs/dbraw/zinc/10/31/17/984103117.db2.gz	ZRQANYKTIJGOPQ-YIZRAAEISA-N	-1	0	256.254	0.758	20	30		CCEDRM
C=CCCC(=O)NC1(CNC(=O)[C@H]2C[C@@H]2C(=O)[O-])CC1	ZINC001588773905	984149789	/nfs/dbraw/zinc/14/97/89/984149789.db2.gz	MOMUDZQQHWSKAO-UWVGGRQHSA-N	-1	0	280.324	0.438	20	30		CCEDRM
C=CCC[C@H](O)CN[C@@H](C(=O)[O-])c1ccnn1C	ZINC001588778743	984162535	/nfs/dbraw/zinc/16/25/35/984162535.db2.gz	KXRRGECTRCVYST-GXSJLCMTSA-N	-1	0	253.302	0.463	20	30		CCEDRM
C=CCCCC(=O)N1C[C@H](C(=O)[O-])[C@H](C(=O)OC)C1	ZINC001588781530	984166376	/nfs/dbraw/zinc/16/63/76/984166376.db2.gz	AVVINCXDLSEHEQ-VHSXEESVSA-N	-1	0	269.297	0.675	20	30		CCEDRM
C=CCCCC(=O)NC[C@]1(C(=O)[O-])C[C@@H]1S(C)(=O)=O	ZINC001588783034	984176324	/nfs/dbraw/zinc/17/63/24/984176324.db2.gz	USUCLRRWEPGERY-JOYOIKCWSA-N	-1	0	289.353	0.347	20	30		CCEDRM
C=CCCC[C@H](NC(=O)[C@@H](C)[C@@H]1CCC(=O)N1)C(=O)[O-]	ZINC001588787334	984186138	/nfs/dbraw/zinc/18/61/38/984186138.db2.gz	VOFOPMSHZHEHNR-DCAQKATOSA-N	-1	0	282.340	0.827	20	30		CCEDRM
C=CCCC[C@@H](NC(=O)[C@@H]1CCCS1(=O)=O)C(=O)[O-]	ZINC001588789851	984201739	/nfs/dbraw/zinc/20/17/39/984201739.db2.gz	LFTVZIWVRFSEAZ-ZJUUUORDSA-N	-1	0	289.353	0.489	20	30		CCEDRM
C=CCCC[C@@H](NC(=O)C[C@@H](C)NC(N)=O)C(=O)[O-]	ZINC001588790261	984205347	/nfs/dbraw/zinc/20/53/47/984205347.db2.gz	UIGJXPNSKDRYSM-RKDXNWHRSA-N	-1	0	271.317	0.359	20	30		CCEDRM
C=CCCC[C@H](NC(=O)c1cn(C)ccc1=O)C(=O)[O-]	ZINC001588793744	984221685	/nfs/dbraw/zinc/22/16/85/984221685.db2.gz	ZTOVKTOIAGTCBJ-NSHDSACASA-N	-1	0	278.308	0.925	20	30		CCEDRM
C=CCCC[C@@H](NS(=O)(=O)N1CCC1)C(=O)[O-]	ZINC001588798096	984233437	/nfs/dbraw/zinc/23/34/37/984233437.db2.gz	TUBRVKRRQFTDIB-SECBINFHSA-N	-1	0	262.331	0.336	20	30		CCEDRM
C=CCCOCC(=O)N1CCSC[C@@H]1C(=O)[O-]	ZINC001588810336	984266272	/nfs/dbraw/zinc/26/62/72/984266272.db2.gz	JQRGORNXOAZEJN-SECBINFHSA-N	-1	0	259.327	0.608	20	30		CCEDRM
C=CCN(C)C(=O)C(=O)N1C[C@H]2CCCC[C@@]2(C(=O)[O-])C1	ZINC001588822401	984289528	/nfs/dbraw/zinc/28/95/28/984289528.db2.gz	KDNNRNUSLMPUJH-IAQYHMDHSA-N	-1	0	294.351	0.734	20	30		CCEDRM
C=CCN(CC(=O)OCC)c1cc(C(=O)[O-])ncn1	ZINC001588824045	984296057	/nfs/dbraw/zinc/29/60/57/984296057.db2.gz	MZEQDSSPTFAZFF-UHFFFAOYSA-N	-1	0	265.269	0.730	20	30		CCEDRM
C=CCN(CC=C)C(=O)CN1C[C@@H](OC)C[C@@]1(C)C(=O)[O-]	ZINC001588825498	984300540	/nfs/dbraw/zinc/30/05/40/984300540.db2.gz	RGNSBAHJAINPLN-WFASDCNBSA-N	-1	0	296.367	0.751	20	30		CCEDRM
C=CCN(CCC#N)Cn1nc(C(=O)OC)cc1C(=O)[O-]	ZINC001588826291	984302961	/nfs/dbraw/zinc/30/29/61/984302961.db2.gz	AHKSXMZGKABFRL-UHFFFAOYSA-N	-1	0	292.295	0.727	20	30		CCEDRM
C=CCN1CC[C@H](NC(C)(C)c2nocc2C(=O)[O-])C1=O	ZINC001588838449	984338148	/nfs/dbraw/zinc/33/81/48/984338148.db2.gz	FLFWXSZBHUOARF-JTQLQIEISA-N	-1	0	293.323	0.984	20	30		CCEDRM
C=CCNC(=O)[C@@H](C)Nc1cnn(C(C)(C)C(=O)[O-])c1	ZINC001588839106	984344281	/nfs/dbraw/zinc/34/42/81/984344281.db2.gz	NMBSHTVBRKZXHC-SECBINFHSA-N	-1	0	280.328	0.805	20	30		CCEDRM
C=CCNC(=O)[C@H](C#N)C(=O)[C@H]1C[C@@H](C(=O)[O-])C1	ZINC001588839214	984345192	/nfs/dbraw/zinc/34/51/92/984345192.db2.gz	OXWWHZOSVABOGM-HRDYMLBCSA-N	-1	0	250.254	0.108	20	30		CCEDRM
C=CCN1CC[C@H](OC(=O)c2ccnc(C(=O)[O-])c2)C1=O	ZINC001588839474	984347019	/nfs/dbraw/zinc/34/70/19/984347019.db2.gz	RDJARXIGKHXHMW-NSHDSACASA-N	-1	0	290.275	0.724	20	30		CCEDRM
C=CCN1CC[C@H](N(C)c2ccnc(C(=O)[O-])n2)C1=O	ZINC001588840023	984352436	/nfs/dbraw/zinc/35/24/36/984352436.db2.gz	ZGBTUBNAJIVVOZ-VIFPVBQESA-N	-1	0	276.296	0.398	20	30		CCEDRM
C=CCNC(=O)CN[C@@H](C(=O)[O-])c1ccc(OC)c(O)c1	ZINC001588844207	984356498	/nfs/dbraw/zinc/35/64/98/984356498.db2.gz	FJIJWYNWIQHJPZ-CYBMUJFWSA-N	-1	0	294.307	0.418	20	30		CCEDRM
C=CCO[C@H]1CCN(C(=O)NCC2(C(=O)[O-])CC2)C1	ZINC001588850051	984378339	/nfs/dbraw/zinc/37/83/39/984378339.db2.gz	VBQDYZXCVYMSOS-JTQLQIEISA-N	-1	0	268.313	0.838	20	30		CCEDRM
C=CCOC[C@H](NC(=O)Cc1ccc(C#N)cc1)C(=O)[O-]	ZINC001588856071	984396644	/nfs/dbraw/zinc/39/66/44/984396644.db2.gz	AZQMIBASWGPZPY-ZDUSSCGKSA-N	-1	0	288.303	0.873	20	30		CCEDRM
C=CCOC[C@H](NC(=O)c1[nH]cnc1CC)C(=O)[O-]	ZINC001588856099	984397113	/nfs/dbraw/zinc/39/71/13/984397113.db2.gz	CHDBWKUYHOQISK-VIFPVBQESA-N	-1	0	267.285	0.358	20	30		CCEDRM
C=CCOC[C@H](NC(=O)Cc1noc(C)c1C#N)C(=O)[O-]	ZINC001588856142	984397320	/nfs/dbraw/zinc/39/73/20/984397320.db2.gz	DAGULIATHKDQQT-NSHDSACASA-N	-1	0	293.279	0.169	20	30		CCEDRM
C=CCOC[C@@H](NC(=O)[C@H]1CC1(Cl)Cl)C(=O)[O-]	ZINC001588856268	984398437	/nfs/dbraw/zinc/39/84/37/984398437.db2.gz	XINHDQWDIAXWDT-RNFRBKRXSA-N	-1	0	282.123	0.952	20	30		CCEDRM
C=CCOC[C@@H](NC(=O)N1CCSCC1)C(=O)[O-]	ZINC001588856340	984398883	/nfs/dbraw/zinc/39/88/83/984398883.db2.gz	GZPLWDNPQMIWPM-SECBINFHSA-N	-1	0	274.342	0.401	20	30		CCEDRM
C=CCOC[C@@H](NC(=O)c1ccc(C(=O)[O-])[nH]1)C(=O)OC	ZINC001588859198	984403906	/nfs/dbraw/zinc/40/39/06/984403906.db2.gz	CRFFDDZYZKBDRL-SNVBAGLBSA-N	-1	0	296.279	0.187	20	30		CCEDRM
C=CCOC[C@H](NC(=O)c1c[nH]nc1C1CC1)C(=O)[O-]	ZINC001588859353	984404942	/nfs/dbraw/zinc/40/49/42/984404942.db2.gz	IUXBVDHFAXJLIR-JTQLQIEISA-N	-1	0	279.296	0.673	20	30		CCEDRM
C=CCOC[C@@H](NC(=O)c1cc(C)nc(C)n1)C(=O)[O-]	ZINC001588859453	984406075	/nfs/dbraw/zinc/40/60/75/984406075.db2.gz	LWKSBMWDJCBKQQ-LLVKDONJSA-N	-1	0	279.296	0.479	20	30		CCEDRM
C=CCOCCCN1C(=O)[C@@H]2CC[C@@H](C(=O)[O-])CN2C1=O	ZINC001588866188	984423409	/nfs/dbraw/zinc/42/34/09/984423409.db2.gz	AXOJAZVRJWKTSQ-MNOVXSKESA-N	-1	0	296.323	0.707	20	30		CCEDRM
C=CCOC[C@H](NCc1cnc2n1CCOC2)C(=O)[O-]	ZINC001588866997	984429303	/nfs/dbraw/zinc/42/93/03/984429303.db2.gz	SRXVACZLPWUVGP-NSHDSACASA-N	-1	0	281.312	0.159	20	30		CCEDRM
C=CCONC(=O)N1CCC[C@@H](n2cc(C(=O)[O-])nn2)C1	ZINC001588868699	984434865	/nfs/dbraw/zinc/43/48/65/984434865.db2.gz	QXLCGVDQJYIXSG-SECBINFHSA-N	-1	0	295.299	0.440	20	30		CCEDRM
C=CCOCCNC(=O)C(=O)N[C@H]1CC[C@@H](CC(=O)[O-])C1	ZINC001588869090	984437718	/nfs/dbraw/zinc/43/77/18/984437718.db2.gz	RDRPISKMTNPSSQ-MNOVXSKESA-N	-1	0	298.339	0.065	20	30		CCEDRM
C=CCn1c(N2CCO[C@@H](C(=O)[O-])C2)nnc1C(C)(C)F	ZINC001588905640	984537532	/nfs/dbraw/zinc/53/75/32/984537532.db2.gz	ZTCGBXSKMJSMEL-SECBINFHSA-N	-1	0	298.318	0.959	20	30		CCEDRM
C=CCn1cc(CN[C@@H](C(=O)[O-])c2cccnc2)nn1	ZINC001588909180	984542908	/nfs/dbraw/zinc/54/29/08/984542908.db2.gz	NFSOWIXIVMVGDH-GFCCVEGCSA-N	-1	0	273.296	0.775	20	30		CCEDRM
C=C[C@@H]1OCC[C@H]1CNC(=O)Nc1c(C(=O)[O-])cnn1C	ZINC001588917911	984568262	/nfs/dbraw/zinc/56/82/62/984568262.db2.gz	IPPYACLPBLBFRT-WPRPVWTQSA-N	-1	0	294.311	0.831	20	30		CCEDRM
CC#CCCCC(=O)N1CCC[C@H](O)[C@H]1C(=O)[O-]	ZINC001588925771	984588741	/nfs/dbraw/zinc/58/87/41/984588741.db2.gz	VRVMNSHPBDXCIC-JQWIXIFHSA-N	-1	0	253.298	0.617	20	30		CCEDRM
CC#CCCCC(=O)N1CCC[C@@H](O)[C@H]1C(=O)[O-]	ZINC001588925772	984588838	/nfs/dbraw/zinc/58/88/38/984588838.db2.gz	VRVMNSHPBDXCIC-PWSUYJOCSA-N	-1	0	253.298	0.617	20	30		CCEDRM
CC#CCCNC(=O)Nc1nn(C)cc1C(=O)[O-]	ZINC001588926919	984595295	/nfs/dbraw/zinc/59/52/95/984595295.db2.gz	CKQCPIVRQONSAG-UHFFFAOYSA-N	-1	0	250.258	0.653	20	30		CCEDRM
CC#CCCN1CC[C@@H](C(=O)[O-])C[C@H]1C(=O)OC	ZINC001588927323	984597807	/nfs/dbraw/zinc/59/78/07/984597807.db2.gz	SSJHGDUGLGBPFK-MNOVXSKESA-N	-1	0	253.298	0.738	20	30		CCEDRM
CCOC(=O)c1cnn(C/C=C(/C)C(=O)[O-])c1C#N	ZINC001596745114	985063702	/nfs/dbraw/zinc/06/37/02/985063702.db2.gz	ZXJIRDUPZRGASK-YWEYNIOJSA-N	-1	0	263.253	0.962	20	30		CCEDRM
Cc1[nH]c(C#N)cc1C(=O)N1CC2CC1(C(=O)[O-])C2	ZINC001599942821	985476014	/nfs/dbraw/zinc/47/60/14/985476014.db2.gz	USCVQOOZMPLABM-UHFFFAOYSA-N	-1	0	259.265	0.884	20	30		CCEDRM
C[C@H]1CN(C(=O)N[C@H]2C[C@@H](C(=O)[O-])C2)C[C@H](C)N1CC#N	ZINC001594475443	985484953	/nfs/dbraw/zinc/48/49/53/985484953.db2.gz	KYEFTFUOZXEAFG-FIQHERPVSA-N	-1	0	294.355	0.477	20	30		CCEDRM
C[C@@H]1CN(C(=O)[C@H]2CC[C@H]2C(=O)[O-])C[C@@H](C)N1CC#N	ZINC001594486686	985567151	/nfs/dbraw/zinc/56/71/51/985567151.db2.gz	VXHQTSAWVKUNFC-WISYIIOYSA-N	-1	0	279.340	0.542	20	30		CCEDRM
Cc1[nH]c(C(=O)N(CC#N)CC(=O)[O-])c(C)c1C=O	ZINC001599951901	985622334	/nfs/dbraw/zinc/62/23/34/985622334.db2.gz	ZMOXJHIVGKPRNO-UHFFFAOYSA-N	-1	0	263.253	0.494	20	30		CCEDRM
CCOC[C@H](C)CS(=O)(=O)N(CC#N)CCC(=O)[O-]	ZINC001596888853	985799036	/nfs/dbraw/zinc/79/90/36/985799036.db2.gz	APAMJDNJBOFIQM-JTQLQIEISA-N	-1	0	292.357	0.289	20	30		CCEDRM
Cc1c(C#N)cccc1C(=O)N[C@@]1(C(=O)[O-])CCOC1	ZINC001599973543	986050106	/nfs/dbraw/zinc/05/01/06/986050106.db2.gz	YPJSDISJYRCCNQ-AWEZNQCLSA-N	-1	0	274.276	0.840	20	30		CCEDRM
C[C@H](C#N)C(=O)N[C@@H](Cc1cncs1)C(=O)[O-]	ZINC001589329066	986159752	/nfs/dbraw/zinc/15/97/52/986159752.db2.gz	IEZXOTJEEQGDRY-SVRRBLITSA-N	-1	0	253.283	0.415	20	30		CCEDRM
CC(C)[C@H](NC(=O)CN(C)C[C@@H](C)C#N)C(=O)[O-]	ZINC001589329907	986167837	/nfs/dbraw/zinc/16/78/37/986167837.db2.gz	VSBVDWJDPWDMKA-ONGXEEELSA-N	-1	0	255.318	0.303	20	30		CCEDRM
C[C@H](C#N)CNC(=O)C(=O)Nc1cccc(F)c1C(=O)[O-]	ZINC001589330918	986180630	/nfs/dbraw/zinc/18/06/30/986180630.db2.gz	VFWJVYYGNPHZTO-SSDOTTSWSA-N	-1	0	293.254	0.738	20	30		CCEDRM
C[C@@H](C#N)CN(C)S(=O)(=O)NC1CC(CC(=O)[O-])C1	ZINC001589330920	986180706	/nfs/dbraw/zinc/18/07/06/986180706.db2.gz	VFZOLBCMMWLALY-IDKOKCKLSA-N	-1	0	289.357	0.166	20	30		CCEDRM
C[C@H](C#N)CNC(=O)N1CCSC[C@@H](C(=O)[O-])C1	ZINC001589331047	986182924	/nfs/dbraw/zinc/18/29/24/986182924.db2.gz	ZCHKXEJKEMWCCU-BDAKNGLRSA-N	-1	0	271.342	0.605	20	30		CCEDRM
C[C@@H](C(=O)N(C)C(C)(C)CC(=O)[O-])n1cnc(C#N)n1	ZINC001589334699	986203834	/nfs/dbraw/zinc/20/38/34/986203834.db2.gz	HOYUUKQHDBJWLW-QMMMGPOBSA-N	-1	0	279.300	0.422	20	30		CCEDRM
Cc1c(C(=O)[O-])cc(C=NN=c2cc[nH]n2C)n1C	ZINC001599984642	986212625	/nfs/dbraw/zinc/21/26/25/986212625.db2.gz	WCHPPEMTPQUKID-UHFFFAOYSA-N	-1	0	261.285	0.633	20	30		CCEDRM
C[C@@H](C(=O)Nc1ccc(C(=O)[O-])nc1)n1cnc(C#N)n1	ZINC001589431983	986738061	/nfs/dbraw/zinc/73/80/61/986738061.db2.gz	VHZRISAGYWHIFA-ZETCQYMHSA-N	-1	0	286.251	0.443	20	30		CCEDRM
C[C@@H](C(=O)[O-])n1cccc1CN=Nc1cnnn1C	ZINC001589539764	987237505	/nfs/dbraw/zinc/23/75/05/987237505.db2.gz	KPXHBXAZXJDWAC-QMMMGPOBSA-N	-1	0	262.273	0.708	20	30		CCEDRM
CC(C)(C#N)CCCN1[C@@H](C(=O)[O-])CCS1(=O)=O	ZINC001589554667	987301843	/nfs/dbraw/zinc/30/18/43/987301843.db2.gz	KERBQTLDQMAZIK-SECBINFHSA-N	-1	0	274.342	0.805	20	30		CCEDRM
CSCCNC(=S)NN=CC[C@H](C)C(=O)[O-]	ZINC001599800793	988172845	/nfs/dbraw/zinc/17/28/45/988172845.db2.gz	IXRJTTWQWQBDJM-ZETCQYMHSA-N	-1	0	263.388	0.910	20	30		CCEDRM
CC(C)(C)OC(=O)N1C[C@@H](C#N)[C@H](NC(=O)CC(=O)[O-])C1	ZINC001589910076	988643063	/nfs/dbraw/zinc/64/30/63/988643063.db2.gz	VBERCQWNLVGZNK-RKDXNWHRSA-N	-1	0	297.311	0.336	20	30		CCEDRM
CCc1nc(C#N)cc(N2CC[C@](F)(C(=O)[O-])C2)n1	ZINC001597645264	988662334	/nfs/dbraw/zinc/66/23/34/988662334.db2.gz	QGFRSBQRLSVTKH-GFCCVEGCSA-N	-1	0	264.260	0.914	20	30		CCEDRM
CCC1N=NC(=S)N1N=Cc1cccn1CC(=O)[O-]	ZINC001597735789	989079734	/nfs/dbraw/zinc/07/97/34/989079734.db2.gz	GXNYTGJHFIONQD-UHFFFAOYSA-N	-1	0	279.325	0.898	20	30		CCEDRM
CC(C)(C)OC(=O)N[C@@H](CCC(=O)[O-])C(=O)NCCC#N	ZINC001590118215	989327822	/nfs/dbraw/zinc/32/78/22/989327822.db2.gz	PMSMHTBYXSOUNZ-VIFPVBQESA-N	-1	0	299.327	0.774	20	30		CCEDRM
CN(C)C[C@](C)(C#N)NC(=O)Cc1ccc(C(=O)[O-])cc1	ZINC001598199628	990809422	/nfs/dbraw/zinc/80/94/22/990809422.db2.gz	NLRHNQFSSDZROQ-HNNXBMFYSA-N	-1	0	289.335	0.887	20	30		CCEDRM
CC(C)C#CC(=O)NC/C=C/CNC(=O)[C@@H]1C[C@@H]1C(=O)[O-]	ZINC001590927920	990937644	/nfs/dbraw/zinc/93/76/44/990937644.db2.gz	NXXOCFKBIPRMIQ-LXYZTQFVSA-N	-1	0	292.335	0.155	20	30		CCEDRM
CC(C)[C@H](C#N)OC(=O)Cn1ccc(C(=O)[O-])n1	ZINC001590953450	991019055	/nfs/dbraw/zinc/01/90/55/991019055.db2.gz	PQBXEIJGQLVCBC-VIFPVBQESA-N	-1	0	251.242	0.673	20	30		CCEDRM
CN([C@]1(C#N)CCOC1)S(=O)(=O)c1c[nH]c(C(=O)[O-])c1	ZINC001598365198	991514318	/nfs/dbraw/zinc/51/43/18/991514318.db2.gz	ZWKDAVAUVFPLPJ-NSHDSACASA-N	-1	0	299.308	0.016	20	30		CCEDRM
CN(CC#N)S(=O)(=O)c1cc(C(=O)[O-])cs1	ZINC001598376560	991566806	/nfs/dbraw/zinc/56/68/06/991566806.db2.gz	UXRSXAGHJSYKHD-UHFFFAOYSA-N	-1	0	260.296	0.590	20	30		CCEDRM
COc1ncc(NC(=O)NCCCC(=O)[O-])cc1C#N	ZINC001599734069	991748298	/nfs/dbraw/zinc/74/82/98/991748298.db2.gz	LUBJDELGHALNCO-UHFFFAOYSA-N	-1	0	278.268	0.948	20	30		CCEDRM
CC(C)C[C@@H](NC(=O)CN1CC(C)(C#N)C1)C(=O)[O-]	ZINC001591168083	991944486	/nfs/dbraw/zinc/94/44/86/991944486.db2.gz	SPXRDTHVRDAHEC-SNVBAGLBSA-N	-1	0	267.329	0.447	20	30		CCEDRM
CS(=O)(=O)c1ccc(CN(CC#N)CCC(=O)[O-])cc1	ZINC001599769911	992231722	/nfs/dbraw/zinc/23/17/22/992231722.db2.gz	FQLZIZWNQKUOBP-UHFFFAOYSA-N	-1	0	296.348	0.890	20	30		CCEDRM
CC(C)N(CC(=O)[O-])C(=O)[C@H](C)n1cnc(C#N)n1	ZINC001591561261	992763729	/nfs/dbraw/zinc/76/37/29/992763729.db2.gz	MMBPJUGHJAAYDK-QMMMGPOBSA-N	-1	0	265.273	0.032	20	30		CCEDRM
C[C@](NC(=O)c1ccnc(C#N)c1)(C(=O)[O-])C1CC1	ZINC001593181937	994075051	/nfs/dbraw/zinc/07/50/51/994075051.db2.gz	ZRHCVZOFLHKSMA-CYBMUJFWSA-N	-1	0	259.265	0.936	20	30		CCEDRM
COC(=O)[C@@H]1C[C@@H](C(=O)[O-])CCN1C(=O)C#CC1CC1	ZINC001598739641	995556624	/nfs/dbraw/zinc/55/66/24/995556624.db2.gz	CJENPHQSOVFEAB-QWRGUYRKSA-N	-1	0	279.292	0.265	20	30		CCEDRM
COC(=O)[C@H]1CC[C@H](C(=O)[O-])CN1Cc1ccc(C#N)o1	ZINC001598779075	995963240	/nfs/dbraw/zinc/96/32/40/995963240.db2.gz	QFNDSFLOKZGOCR-JOYOIKCWSA-N	-1	0	292.291	0.989	20	30		CCEDRM
COC(=O)[C@@H]1CCN(C(=O)CCCC#N)[C@@H](C(=O)[O-])C1	ZINC001598793426	996093170	/nfs/dbraw/zinc/09/31/70/996093170.db2.gz	PXQMCVCZIPJCEV-NXEZZACHSA-N	-1	0	282.296	0.545	20	30		CCEDRM
C[C@@]1(C#N)CCN(CC(=O)Nc2cccc(C(=O)[O-])n2)C1	ZINC001593742965	996363890	/nfs/dbraw/zinc/36/38/90/996363890.db2.gz	JVYJZOSQFKTUJC-AWEZNQCLSA-N	-1	0	288.307	0.954	20	30		CCEDRM
COC(=O)CC[C@H](C(=O)[O-])N1CC[C@](F)(C#N)C1	ZINC001598845408	996561240	/nfs/dbraw/zinc/56/12/40/996561240.db2.gz	BLENMVABTFSVOK-KCJUWKMLSA-N	-1	0	258.249	0.330	20	30		CCEDRM
COC(=O)CC[C@H](C(=O)[O-])[N@H+](C)CC(C)(C)C#N	ZINC001598845706	996563900	/nfs/dbraw/zinc/56/39/00/996563900.db2.gz	DYOFTLBMLRYBNL-SECBINFHSA-N	-1	0	256.302	0.874	20	30		CCEDRM
COc1cc(C(=O)[O-])ccc1S(=O)(=O)N(C)[C@@H](C)C#N	ZINC001599380943	996844481	/nfs/dbraw/zinc/84/44/81/996844481.db2.gz	YLZWICXRFUEULY-QMMMGPOBSA-N	-1	0	298.320	0.926	20	30		CCEDRM
CO[C@]1(C(=O)[O-])CCN(C(=O)c2cc(C#N)oc2C)C1	ZINC001599075331	996849007	/nfs/dbraw/zinc/84/90/07/996849007.db2.gz	VRSNJWXCRPUQGG-CYBMUJFWSA-N	-1	0	278.264	0.775	20	30		CCEDRM
CON=CC(=O)N[C@](C)(CC(=O)[O-])c1ccncc1	ZINC001599320424	997571407	/nfs/dbraw/zinc/57/14/07/997571407.db2.gz	OLCVDMCAUFWBDY-GFCCVEGCSA-N	-1	0	265.269	0.520	20	30		CCEDRM
COCC[C@@H](NC(=O)c1ccccc1CC#N)C(=O)[O-]	ZINC001599218008	997616203	/nfs/dbraw/zinc/61/62/03/997616203.db2.gz	YMNPWYJMXZOABA-GFCCVEGCSA-N	-1	0	276.292	0.972	20	30		CCEDRM
CO[C@H]1CCN(C(=O)CSCC#N)[C@@H](C(=O)[O-])C1	ZINC001599118965	997704728	/nfs/dbraw/zinc/70/47/28/997704728.db2.gz	IWSWLWBUEFIMNL-DTWKUNHWSA-N	-1	0	272.326	0.334	20	30		CCEDRM
CO[C@@H]1CCN(C(=O)c2ccc(C#N)nc2)[C@@H](C(=O)[O-])C1	ZINC001599119688	997716257	/nfs/dbraw/zinc/71/62/57/997716257.db2.gz	GTBILUXRJVRKGY-VXGBXAGGSA-N	-1	0	289.291	0.657	20	30		CCEDRM
COc1c(N)ncnc1N1CCC(C#N)(C(=O)[O-])CC1	ZINC001599335462	997827040	/nfs/dbraw/zinc/82/70/40/997827040.db2.gz	IRNYIVSGHHDEIN-UHFFFAOYSA-N	-1	0	277.284	0.262	20	30		CCEDRM
CO[C@H]1CN([C@@H](C(=O)[O-])c2ccc(C#N)cc2)CCO1	ZINC001599131138	997946578	/nfs/dbraw/zinc/94/65/78/997946578.db2.gz	NFGABEDWRCFSSQ-CHWSQXEVSA-N	-1	0	276.292	0.989	20	30		CCEDRM
COCCN(CCC(=O)[O-])C(=O)c1cc(O)cc(C#N)c1	ZINC001599236028	997947695	/nfs/dbraw/zinc/94/76/95/997947695.db2.gz	JKVBZSIULBNMLY-UHFFFAOYSA-N	-1	0	292.291	0.827	20	30		CCEDRM
COc1cc(C#N)ccc1CN(CC#N)CC(=O)[O-]	ZINC001599349097	998062499	/nfs/dbraw/zinc/06/24/99/998062499.db2.gz	JUEXFBIUAGQRDD-UHFFFAOYSA-N	-1	0	259.265	0.977	20	30		CCEDRM
COC[C@](C)(C#N)NC(=O)Cc1cccc(C(=O)[O-])c1	ZINC001599143756	998176179	/nfs/dbraw/zinc/17/61/79/998176179.db2.gz	CFVHCCQIAJGHBN-AWEZNQCLSA-N	-1	0	276.292	0.972	20	30		CCEDRM
COC[C@](C)(C#N)NC(=O)c1oc(C(=O)[O-])cc1C	ZINC001599143967	998179258	/nfs/dbraw/zinc/17/92/58/998179258.db2.gz	NPPSUJRSHNPTSI-LBPRGKRZSA-N	-1	0	266.253	0.945	20	30		CCEDRM
C[C@@H]1C(=O)N(N=Cc2ccc(C(=O)[O-])o2)C(=O)N1C	ZINC001594127927	998316141	/nfs/dbraw/zinc/31/61/41/998316141.db2.gz	DKNICQKYYNGRCH-ZCFIWIBFSA-N	-1	0	265.225	0.594	20	30		CCEDRM
COC[C@H](NC(=O)c1cc(F)c(C#N)c(F)c1)C(=O)[O-]	ZINC001599171873	998619560	/nfs/dbraw/zinc/61/95/60/998619560.db2.gz	NVHVOCAUARAEQW-JTQLQIEISA-N	-1	0	284.218	0.666	20	30		CCEDRM
C[C@H]1C[C@H](C(=O)N2CCC(C#N)(C(=O)[O-])CC2)CO1	ZINC001594201332	998778304	/nfs/dbraw/zinc/77/83/04/998778304.db2.gz	HKOFAMQQTRSSSO-UWVGGRQHSA-N	-1	0	266.297	0.628	20	30		CCEDRM
C[C@H]1CC(NC(=O)CCc2ocnc2C(=O)[O-])=NO1	ZINC001594254107	998978211	/nfs/dbraw/zinc/97/82/11/998978211.db2.gz	XPPGBAKLXLHUPY-LURJTMIESA-N	-1	0	267.241	0.544	20	30		CCEDRM
CO[C@]1(C(=O)[O-])CCN(C(=O)C#CC(C)(C)C)C1	ZINC001599067683	999309151	/nfs/dbraw/zinc/30/91/51/999309151.db2.gz	GCMYCHOLIJZKEY-CYBMUJFWSA-N	-1	0	253.298	0.738	20	30		CCEDRM
CCCCCS(=O)(=O)C=C([O-])n1ncc(C#N)c1N	ZINC000102784661	349684285	/nfs/dbraw/zinc/68/42/85/349684285.db2.gz	YJIHEFYIZSSQSH-UHFFFAOYSA-N	-1	0	284.341	0.582	20	30		CCEDRM
CN([C@H]1C[C@@H](C(=O)[O-])C1)S(=O)(=O)CCCCC#N	ZINC000600656991	362027245	/nfs/dbraw/zinc/02/72/45/362027245.db2.gz	FZBWHBUQZUSYPX-AOOOYVTPSA-N	-1	0	274.342	0.805	20	30		CCEDRM
N#CC1(C(=O)N2CCC[C@H](c3nnn[n-]3)C2)CC2(CC2)C1	ZINC000601361376	362243486	/nfs/dbraw/zinc/24/34/86/362243486.db2.gz	ITTKGXPFJGHCBG-JTQLQIEISA-N	-1	0	286.339	0.990	20	30		CCEDRM
C#CCCNC(=O)NC1CCC(NC(=O)[O-])CC1	ZINC000738456985	581330978	/nfs/dbraw/zinc/33/09/78/581330978.db2.gz	IIESTHKBZGHWLE-UHFFFAOYSA-N	-1	0	253.302	0.888	20	30		CCEDRM
CN1CCO[C@@H](CNC(=O)c2cccn3c([O-])nnc23)C1	ZINC000329086072	529782086	/nfs/dbraw/zinc/78/20/86/529782086.db2.gz	GQIRLYDYWNULAL-VIFPVBQESA-N	-1	0	291.311	0.070	20	30		CCEDRM
N#Cc1c[n-][nH]c1=NC(=O)C1CCN(CC(F)F)CC1	ZINC000601638520	362335662	/nfs/dbraw/zinc/33/56/62/362335662.db2.gz	IOVIFHGFFPRGKL-UHFFFAOYSA-N	-1	0	283.282	0.619	20	30		CCEDRM
Cn1ncc2c1C[C@H](C(=O)N=c1[nH][n-]cc1C#N)CC2	ZINC000601639298	362336437	/nfs/dbraw/zinc/33/64/37/362336437.db2.gz	NLENMYHRQOKUBV-MRVPVSSYSA-N	-1	0	270.296	0.180	20	30		CCEDRM
CC(=O)Nc1c(C)[n-]n(Cc2cccc(C#N)c2)c1=O	ZINC000601944643	362431954	/nfs/dbraw/zinc/43/19/54/362431954.db2.gz	NPGJVMLWUQWVAU-CYBMUJFWSA-N	-1	0	270.292	0.781	20	30		CCEDRM
CCN(C(=O)CCn1cc(C#N)c(=O)[n-]c1=O)C1CCC1	ZINC000602101693	362487833	/nfs/dbraw/zinc/48/78/33/362487833.db2.gz	BEMHJNQFYLBDSB-UHFFFAOYSA-N	-1	0	290.323	0.612	20	30		CCEDRM
C[C@H]1CN(C(=O)CCn2cc(C#N)c(=O)[n-]c2=O)C[C@@H]1C	ZINC000602110122	362495761	/nfs/dbraw/zinc/49/57/61/362495761.db2.gz	XVPRNSGFYPVUIF-UWVGGRQHSA-N	-1	0	290.323	0.325	20	30		CCEDRM
C=CCOc1ccccc1C(=O)NC[C@](C)(O)C(=O)[O-]	ZINC000090274822	260252192	/nfs/dbraw/zinc/25/21/92/260252192.db2.gz	KIQGYJYXVDZOKR-AWEZNQCLSA-N	-1	0	279.292	0.817	20	30		CCEDRM
COc1cc(C#N)ccc1OCC(=O)N[C@H](CF)C(=O)[O-]	ZINC000262828633	137053865	/nfs/dbraw/zinc/05/38/65/137053865.db2.gz	BBHFBVNFAYLCFZ-SECBINFHSA-N	-1	0	296.254	0.485	20	30		CCEDRM
CCC[C@H](NC(=O)c1ccc(C#N)o1)c1nnn[n-]1	ZINC000342345286	137089482	/nfs/dbraw/zinc/08/94/82/137089482.db2.gz	CERMPZCLKQBVQP-QMMMGPOBSA-N	-1	0	260.257	0.936	20	30		CCEDRM
COc1ccc(C(=O)Nc2nc(C#N)c(C#N)[n-]2)cn1	ZINC000026269941	348094106	/nfs/dbraw/zinc/09/41/06/348094106.db2.gz	FAWPHYIFWBLOOH-UHFFFAOYSA-N	-1	0	268.236	0.809	20	30		CCEDRM
N#Cc1cccc(NC(=O)N2C[C@H](O)C[C@H]2C(=O)[O-])c1	ZINC000037010003	348178835	/nfs/dbraw/zinc/17/88/35/348178835.db2.gz	BVVWXIDCUZDJOR-MNOVXSKESA-N	-1	0	275.264	0.610	20	30		CCEDRM
C=CCN(CC=C)S(=O)(=O)N1CCC(C(=O)[O-])CC1	ZINC000037656134	348197757	/nfs/dbraw/zinc/19/77/57/348197757.db2.gz	YWUOHDFMDWXCPR-UHFFFAOYSA-N	-1	0	288.369	0.702	20	30		CCEDRM
C[C@H](N(C)C(=O)N=c1[n-]n(C)cc1C#N)C(C)(C)O	ZINC000602883916	362862332	/nfs/dbraw/zinc/86/23/32/362862332.db2.gz	ZCSDHMSORUPMTD-QMMMGPOBSA-N	-1	0	265.317	0.337	20	30		CCEDRM
Cn1cc(C#N)c(=NC(=O)N2CCCC(F)(F)C2)[n-]1	ZINC000602887702	362866269	/nfs/dbraw/zinc/86/62/69/362866269.db2.gz	QGRUCQJMNOHDCW-UHFFFAOYSA-N	-1	0	269.255	0.977	20	30		CCEDRM
N#Cc1ccc(C(=O)N=c2[n-]nc3n2CCCC3)o1	ZINC000345999588	137263640	/nfs/dbraw/zinc/26/36/40/137263640.db2.gz	WHCJHOOHJYCVHZ-UHFFFAOYSA-N	-1	0	257.253	0.753	20	30		CCEDRM
O=C1CN=C(NC([O-])=C2CC(=O)Nc3cc(F)ccc32)N1	ZINC000050223252	348470789	/nfs/dbraw/zinc/47/07/89/348470789.db2.gz	ATHHDCKGZIKYJN-QMMMGPOBSA-N	-1	0	290.254	0.694	20	30		CCEDRM
N#Cc1ccc(/C=C\c2cn(CC(=O)[O-])nn2)nc1	ZINC000254955958	352539064	/nfs/dbraw/zinc/53/90/64/352539064.db2.gz	WFOANZJNPKWWPT-ARJAWSKDSA-N	-1	0	255.237	0.800	20	30		CCEDRM
N#Cc1cccc(S(=O)(=O)[N-]c2cnn(CCO)c2)c1	ZINC000067659939	348780675	/nfs/dbraw/zinc/78/06/75/348780675.db2.gz	YWZNZQCUGXHYED-UHFFFAOYSA-N	-1	0	292.320	0.548	20	30		CCEDRM
Cc1ccc(C#N)cc1S(=O)(=O)NCC(=O)[O-]	ZINC000070430273	348888742	/nfs/dbraw/zinc/88/87/42/348888742.db2.gz	LGQASYFMJRPZCV-UHFFFAOYSA-N	-1	0	254.267	0.230	20	30		CCEDRM
N#Cc1cccc(C(=O)NCCCc2n[nH]c(=O)[n-]2)c1	ZINC000080974914	349236483	/nfs/dbraw/zinc/23/64/83/349236483.db2.gz	IXOIQHKDJQYWCB-UHFFFAOYSA-N	-1	0	271.280	0.332	20	30		CCEDRM
N#Cc1ccc(C(=O)N2CCOC[C@H]2C(=O)[O-])cc1	ZINC000088376052	349365456	/nfs/dbraw/zinc/36/54/56/349365456.db2.gz	ZJJDCNZGOVWJHR-NSHDSACASA-N	-1	0	260.249	0.484	20	30		CCEDRM
N#Cc1cccc(NC(=O)N2CCOC[C@H]2C(=O)[O-])c1	ZINC000088376450	349365758	/nfs/dbraw/zinc/36/57/58/349365758.db2.gz	CETVRAVVJVDTFA-NSHDSACASA-N	-1	0	275.264	0.876	20	30		CCEDRM
N#Cc1ccc(Cl)c(S(=O)(=O)NCC(=O)[O-])c1	ZINC000130611906	350242392	/nfs/dbraw/zinc/24/23/92/350242392.db2.gz	CTGONXYUUPNZEP-UHFFFAOYSA-N	-1	0	274.685	0.575	20	30		CCEDRM
Cc1cc(S(=O)(=O)NCCC(=O)[O-])ccc1C#N	ZINC000145852174	350465749	/nfs/dbraw/zinc/46/57/49/350465749.db2.gz	LEKDQOAXPJZFPL-UHFFFAOYSA-N	-1	0	268.294	0.620	20	30		CCEDRM
COC(=O)c1coc(C(=O)Nc2nc(C#N)c(C#N)[n-]2)c1	ZINC000185189833	351437002	/nfs/dbraw/zinc/43/70/02/351437002.db2.gz	SFVHLTYYANPPLB-UHFFFAOYSA-N	-1	0	285.219	0.785	20	30		CCEDRM
C[C@@H](O)C[N-]S(=O)(=O)c1c(F)cc(C#N)cc1F	ZINC000123672523	187104219	/nfs/dbraw/zinc/10/42/19/187104219.db2.gz	LCQNZZDOWZXAFN-ZCFIWIBFSA-N	-1	0	276.264	0.496	20	30		CCEDRM
C[C@H](CNS(=O)(=O)c1ccc(C#N)s1)C(=O)[O-]	ZINC000230324472	352111882	/nfs/dbraw/zinc/11/18/82/352111882.db2.gz	GUHDNTBPGFCTNQ-ZCFIWIBFSA-N	-1	0	274.323	0.619	20	30		CCEDRM
C#C[C@@H](C)Oc1nc[n-]c(=O)c1I	ZINC000235235800	352180912	/nfs/dbraw/zinc/18/09/12/352180912.db2.gz	IHHOVCMOKRFMJW-RXMQYKEDSA-N	-1	0	290.060	0.775	20	30		CCEDRM
C=CCSCCNS(=O)(=O)c1c[nH]c(C(=O)[O-])c1	ZINC000231937604	352139152	/nfs/dbraw/zinc/13/91/52/352139152.db2.gz	OIZKNJLOUOEKGS-UHFFFAOYSA-N	-1	0	290.366	0.910	20	30		CCEDRM
N#Cc1cn(CCNC(=O)C2CCCCC2)c(=O)[n-]c1=O	ZINC000603919178	363172333	/nfs/dbraw/zinc/17/23/33/363172333.db2.gz	ZMVDLHXEZYEPQZ-UHFFFAOYSA-N	-1	0	290.323	0.517	20	30		CCEDRM
C=CCCCN(C)C(=O)c1cnc([O-])n(C)c1=O	ZINC000267676321	352783189	/nfs/dbraw/zinc/78/31/89/352783189.db2.gz	WALUMNHHVOPIIO-UHFFFAOYSA-N	-1	0	251.286	0.524	20	30		CCEDRM
CCn1nccc1S(=O)(=O)[N-]c1nn(C)cc1C#N	ZINC000274557582	353140673	/nfs/dbraw/zinc/14/06/73/353140673.db2.gz	XSMOREHBVAGIPA-UHFFFAOYSA-N	-1	0	280.313	0.309	20	30		CCEDRM
CC#CC[C@@H](NS(=O)(=O)CCCF)C(=O)[O-]	ZINC000274956539	353175321	/nfs/dbraw/zinc/17/53/21/353175321.db2.gz	GZZMHQALVYLOAR-MRVPVSSYSA-N	-1	0	251.279	0.132	20	30		CCEDRM
C[C@H](CN(C)C(=O)Cc1ccc(C#N)cc1)c1nnn[n-]1	ZINC000274791006	353162115	/nfs/dbraw/zinc/16/21/15/353162115.db2.gz	PWUYJEIUSVHVNB-SNVBAGLBSA-N	-1	0	284.323	0.876	20	30		CCEDRM
CC#CC[C@@H](NS(=O)(=O)c1ccco1)C(=O)[O-]	ZINC000277344011	353238362	/nfs/dbraw/zinc/23/83/62/353238362.db2.gz	WQFAITSZIUANBW-MRVPVSSYSA-N	-1	0	257.267	0.425	20	30		CCEDRM
N#Cc1cc(F)ccc1S(=O)(=O)NC1(C(=O)[O-])CC1	ZINC000282864295	353458536	/nfs/dbraw/zinc/45/85/36/353458536.db2.gz	ORIMTRVDAZRYDT-UHFFFAOYSA-N	-1	0	284.268	0.593	20	30		CCEDRM
N#Cc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)[O-])C2)cn1	ZINC000158767681	188393158	/nfs/dbraw/zinc/39/31/58/188393158.db2.gz	BOAOIVKQDSSDEO-SECBINFHSA-N	-1	0	295.320	0.439	20	30		CCEDRM
CC(C)n1cc(C#N)c([N-]S(=O)(=O)N2CCC2)n1	ZINC000556799907	291007441	/nfs/dbraw/zinc/00/74/41/291007441.db2.gz	RKFNWQQODCSUJU-UHFFFAOYSA-N	-1	0	269.330	0.698	20	30		CCEDRM
CC(C)(O)CON=c1[n-]cc([N+](=O)[O-])cc1C#N	ZINC000290882152	353755325	/nfs/dbraw/zinc/75/53/25/353755325.db2.gz	BZNPLRORAHVZHW-UHFFFAOYSA-N	-1	0	252.230	0.976	20	30		CCEDRM
Cn1cc([N-]S(=O)(=O)c2ccc(C#N)c(F)c2)nn1	ZINC000427298231	235359570	/nfs/dbraw/zinc/35/95/70/235359570.db2.gz	AMSHXCHSOUWEON-UHFFFAOYSA-N	-1	0	281.272	0.627	20	30		CCEDRM
Cc1nc([N-]S(=O)(=O)c2cnc(C)c(C#N)c2)nn1C	ZINC000427656158	235374571	/nfs/dbraw/zinc/37/45/71/235374571.db2.gz	VPRBAYRPVKZFOT-UHFFFAOYSA-N	-1	0	292.324	0.499	20	30		CCEDRM
C=CCOCCNC(=O)N=c1ccc(C(=O)OC)n[n-]1	ZINC000619627818	366304543	/nfs/dbraw/zinc/30/45/43/366304543.db2.gz	MZUGZACVZUXSFP-UHFFFAOYSA-N	-1	0	280.284	0.009	20	30		CCEDRM
C=C(C)[C@H](CC(=O)N=c1ccc(C(=O)OC)n[n-]1)OCC	ZINC000619601561	366293863	/nfs/dbraw/zinc/29/38/63/366293863.db2.gz	WXEFMBRHHRELMU-NSHDSACASA-N	-1	0	293.323	0.995	20	30		CCEDRM
N#Cc1ccc(CNC(=O)c2n[nH]c(=O)[n-]2)cc1Cl	ZINC000619846061	366363184	/nfs/dbraw/zinc/36/31/84/366363184.db2.gz	GOBHXLXUEFUHTN-UHFFFAOYSA-N	-1	0	277.671	0.965	20	30		CCEDRM
Cn1ccc(C(=O)N=c2[nH][n-]c(C3CC3)c2C#N)cc1=O	ZINC000359720456	356879266	/nfs/dbraw/zinc/87/92/66/356879266.db2.gz	VRIWEAPRLHOBLG-UHFFFAOYSA-N	-1	0	283.291	0.532	20	30		CCEDRM
Cn1cc(C#N)c(=NC(=O)NCc2ccccc2CO)[n-]1	ZINC000610528127	363572906	/nfs/dbraw/zinc/57/29/06/363572906.db2.gz	PMAUHFHGKNVFRN-UHFFFAOYSA-N	-1	0	285.307	0.528	20	30		CCEDRM
CC[C@@H](C)NC(=O)[C@@H](C)NC(=O)N=c1[n-]n(C)cc1C#N	ZINC000610528236	363574220	/nfs/dbraw/zinc/57/42/20/363574220.db2.gz	YAQHARYHEOXJDR-RKDXNWHRSA-N	-1	0	292.343	0.138	20	30		CCEDRM
COCc1nsc(=NC2CCN(CC#N)CC2)[n-]1	ZINC000610541665	363574255	/nfs/dbraw/zinc/57/42/55/363574255.db2.gz	IRHGYBLCUYUWBQ-UHFFFAOYSA-N	-1	0	267.358	0.506	20	30		CCEDRM
CCCCN(CCOC)C(=O)N=c1[n-]n(C)cc1C#N	ZINC000610562525	363576655	/nfs/dbraw/zinc/57/66/55/363576655.db2.gz	WSHOEYCVXQOQBJ-UHFFFAOYSA-N	-1	0	279.344	0.994	20	30		CCEDRM
Cn1cc(C#N)c(=NC(=O)NC[C@@H]2CCCOC2)[n-]1	ZINC000610564970	363579473	/nfs/dbraw/zinc/57/94/73/363579473.db2.gz	UUGMXQUQLRYYDQ-VIFPVBQESA-N	-1	0	263.301	0.262	20	30		CCEDRM
CO[C@@H](CNC(=O)N=c1[n-]n(C)cc1C#N)C(C)C	ZINC000610569873	363581057	/nfs/dbraw/zinc/58/10/57/363581057.db2.gz	FGTJHLCBRIZKLE-JTQLQIEISA-N	-1	0	265.317	0.506	20	30		CCEDRM
N#Cc1c[nH]c(C(=O)N=c2[n-]ncn2-c2cccnc2)c1	ZINC000377169877	357547200	/nfs/dbraw/zinc/54/72/00/357547200.db2.gz	OSELCSNYWQKBEL-UHFFFAOYSA-N	-1	0	279.263	0.536	20	30		CCEDRM
C#CCO[C@@H](C)C(=O)Nc1n[nH]c(C(F)(F)F)n1	ZINC000294374384	199016025	/nfs/dbraw/zinc/01/60/25/199016025.db2.gz	CILIUUMMLWFOAB-YFKPBYRVSA-N	-1	0	262.191	0.800	20	30		CCEDRM
C=CCOC[C@@H](NS(=O)(=O)CCC1CCC1)C(=O)[O-]	ZINC000563079146	358556175	/nfs/dbraw/zinc/55/61/75/358556175.db2.gz	JBEFQRWCOGUOTL-LLVKDONJSA-N	-1	0	291.369	0.752	20	30		CCEDRM
C[C@@H](CC#N)N(C)S(=O)(=O)N[C@@H](C(=O)[O-])C1CCC1	ZINC000563224478	358557264	/nfs/dbraw/zinc/55/72/64/358557264.db2.gz	AUKHYRIXNFMHLH-WCBMZHEXSA-N	-1	0	289.357	0.308	20	30		CCEDRM
N#Cc1c[n-]c(=O)n(Cc2nc(C3CCCC3)no2)c1=O	ZINC000569810607	358795762	/nfs/dbraw/zinc/79/57/62/358795762.db2.gz	QULZQKVKVHYYCC-UHFFFAOYSA-N	-1	0	287.279	0.497	20	30		CCEDRM
N#Cc1cc(C(=O)N2CCC[C@@H](c3n[nH]c(=O)[n-]3)C2)ccn1	ZINC000569852443	358800648	/nfs/dbraw/zinc/80/06/48/358800648.db2.gz	VMPCTDQYLUVIEF-SNVBAGLBSA-N	-1	0	298.306	0.797	20	30		CCEDRM
C=CCN(CC=C)C(=O)C(=O)N1CC[C@H](C)[C@@H](C(=O)[O-])C1	ZINC000572158237	358928019	/nfs/dbraw/zinc/92/80/19/358928019.db2.gz	GPCNSPNTBRQEHE-RYUDHWBXSA-N	-1	0	294.351	0.756	20	30		CCEDRM
N#Cc1cccc(CC(=O)NCCCc2n[nH]c(=O)[n-]2)c1	ZINC000576088719	359044779	/nfs/dbraw/zinc/04/47/79/359044779.db2.gz	GNXSAXZGFNDIPG-UHFFFAOYSA-N	-1	0	285.307	0.673	20	30		CCEDRM
C=CCN(CC=C)S(=O)(=O)N1CCC[C@H]1C(=O)[O-]	ZINC000573603992	358982884	/nfs/dbraw/zinc/98/28/84/358982884.db2.gz	FDHFJSCJNVOWRJ-JTQLQIEISA-N	-1	0	274.342	0.454	20	30		CCEDRM
C=CCOC[C@H](NS(=O)(=O)CC(C)(C)C)C(=O)[O-]	ZINC000583691660	359159038	/nfs/dbraw/zinc/15/90/38/359159038.db2.gz	FZXWPLZPZJMKHL-VIFPVBQESA-N	-1	0	279.358	0.608	20	30		CCEDRM
C[C@@H]1COCC[C@H]1CNC(=O)N=c1[n-]n(C)cc1C#N	ZINC000588259043	359319988	/nfs/dbraw/zinc/31/99/88/359319988.db2.gz	VJQDVBUYBVGIIS-ZJUUUORDSA-N	-1	0	277.328	0.508	20	30		CCEDRM
CC[C@@H](CNC(=O)N=c1[n-]n(C)cc1C#N)OC	ZINC000589332354	359378856	/nfs/dbraw/zinc/37/88/56/359378856.db2.gz	CMISISQRFLXDFR-VIFPVBQESA-N	-1	0	251.290	0.260	20	30		CCEDRM
C[C@@H](NC(=O)c1cccs1)C(=O)N=c1[nH][n-]cc1C#N	ZINC000589820455	359402991	/nfs/dbraw/zinc/40/29/91/359402991.db2.gz	QDCUPEPNEZSVOP-SSDOTTSWSA-N	-1	0	289.320	0.522	20	30		CCEDRM
COCc1nc(=NC(=O)CC2(C#N)CC2)s[n-]1	ZINC000590326705	359439682	/nfs/dbraw/zinc/43/96/82/359439682.db2.gz	ISCOWUNZMAEYEM-UHFFFAOYSA-N	-1	0	252.299	0.739	20	30		CCEDRM
N#CCc1ccc(C(=O)N=c2[n-]nc3nc[nH]n32)cc1	ZINC000590379846	359446397	/nfs/dbraw/zinc/44/63/97/359446397.db2.gz	RPPBEEZDYZFQSS-UHFFFAOYSA-N	-1	0	267.252	0.193	20	30		CCEDRM
C=C[C@@H]1OCCC[C@H]1NC(=O)N=c1[n-]n(C)cc1C#N	ZINC000590819352	359526732	/nfs/dbraw/zinc/52/67/32/359526732.db2.gz	HGOVTTHYWLDSHC-MNOVXSKESA-N	-1	0	275.312	0.569	20	30		CCEDRM
N#CCc1cccc(S(=O)(=O)N2CC[C@@H](C(=O)[O-])C2)c1	ZINC000591350436	359580518	/nfs/dbraw/zinc/58/05/18/359580518.db2.gz	XIGSMAXBDFEJLN-LLVKDONJSA-N	-1	0	294.332	0.848	20	30		CCEDRM
C[C@]1(C#N)CCCN(C(=O)C(=O)N2CC[C@@H](C(=O)[O-])C2)C1	ZINC000591568485	359599866	/nfs/dbraw/zinc/59/98/66/359599866.db2.gz	NSSUQTQYIXRPNU-QMTHXVAHSA-N	-1	0	293.323	0.072	20	30		CCEDRM
C[C@H](CN(C)C(=O)C(=O)N1CCC[C@@](C)(C#N)C1)C(=O)[O-]	ZINC000591568476	359600032	/nfs/dbraw/zinc/60/00/32/359600032.db2.gz	HJFSABILOCRHNJ-YGRLFVJLSA-N	-1	0	295.339	0.318	20	30		CCEDRM
N#Cc1c[n-]c(=O)n(CC(=O)NC2CCCCCC2)c1=O	ZINC000592354976	359823331	/nfs/dbraw/zinc/82/33/31/359823331.db2.gz	OFULNPBQPHPFBW-UHFFFAOYSA-N	-1	0	290.323	0.247	20	30		CCEDRM
CCc1nc(Cn2c(=O)[n-]cc(C#N)c2=O)cs1	ZINC000592355015	359823524	/nfs/dbraw/zinc/82/35/24/359823524.db2.gz	VJEVKYDNIVCDAY-UHFFFAOYSA-N	-1	0	262.294	0.475	20	30		CCEDRM
N#C[C@]1(F)CCN(C(=O)N[C@H]2CC[C@@H](C(=O)[O-])C2)C1	ZINC000592215565	359802361	/nfs/dbraw/zinc/80/23/61/359802361.db2.gz	QXQGGZDIPSXIEF-VDDIYKPWSA-N	-1	0	269.276	0.887	20	30		CCEDRM
CCCN1C[C@H](C(=O)N=c2[n-]n(C)c(C)c2C#N)CC1=O	ZINC000592649224	359909028	/nfs/dbraw/zinc/90/90/28/359909028.db2.gz	LGNLCBVTQARYIV-SNVBAGLBSA-N	-1	0	289.339	0.219	20	30		CCEDRM
N#CC[C@@]1(O)CCN(C(=O)c2csc(NC3CC3)n2)C1	ZINC000592848422	359953215	/nfs/dbraw/zinc/95/32/15/359953215.db2.gz	WPLCDZMLFINQQV-CYBMUJFWSA-N	-1	0	292.364	0.630	20	30		CCEDRM
C[C@@H]1CC[C@H](C(=O)[O-])N1S(=O)(=O)CCCCC#N	ZINC000593216938	360052832	/nfs/dbraw/zinc/05/28/32/360052832.db2.gz	BIRLGEKGWDRNAP-NXEZZACHSA-N	-1	0	274.342	0.948	20	30		CCEDRM
CC(C)[C@@](C)(C#N)NC(=O)CN(C)Cc1n[n-]c(=O)o1	ZINC000595552627	360577040	/nfs/dbraw/zinc/57/70/40/360577040.db2.gz	XYZILJMYZDIJRR-GFCCVEGCSA-N	-1	0	281.316	0.261	20	30		CCEDRM
Cc1cc(C#N)cc(N[C@@H]2C[C@@H](C(=O)[O-])C[C@@H]2O)n1	ZINC000595977388	360753332	/nfs/dbraw/zinc/75/33/32/360753332.db2.gz	GDMKWYVVJSPCNH-MXWKQRLJSA-N	-1	0	261.281	0.898	20	30		CCEDRM
N#Cc1cnc(N[C@@H]2C[C@H](C(=O)[O-])C[C@@H]2O)c(F)c1	ZINC000595978089	360753341	/nfs/dbraw/zinc/75/33/41/360753341.db2.gz	KCWDWPCZBPHMMV-SFGNSQDASA-N	-1	0	265.244	0.728	20	30		CCEDRM
Cc1cc(N[C@@H]2C[C@@H](C(=O)[O-])C[C@H]2O)cc(C#N)n1	ZINC000595979833	360754840	/nfs/dbraw/zinc/75/48/40/360754840.db2.gz	VCRARLCLCFMPRJ-GGZOMVNGSA-N	-1	0	261.281	0.320	20	30		CCEDRM
N#Cc1nc(N[C@@H]2C[C@H](C(=O)[O-])C[C@H]2O)sc1Cl	ZINC000595979354	360754903	/nfs/dbraw/zinc/75/49/03/360754903.db2.gz	SZUXVSSRALCNNF-HBPOCXIASA-N	-1	0	287.728	0.726	20	30		CCEDRM
Cn1c(C2CC2)n[n-]c1=NC(=O)c1cc(C#N)c[nH]1	ZINC000597897413	361278984	/nfs/dbraw/zinc/27/89/84/361278984.db2.gz	MNKLCEGSOKYVQB-UHFFFAOYSA-N	-1	0	256.269	0.566	20	30		CCEDRM
COC[C@H](OC)C(=O)N=c1[nH][n-]c(C2CC2)c1C#N	ZINC000598733746	361501464	/nfs/dbraw/zinc/50/14/64/361501464.db2.gz	DFNLZDAAVRFOTJ-VIFPVBQESA-N	-1	0	264.285	0.181	20	30		CCEDRM
N#Cc1c(C2CC2)[n-][nH]c1=NC(=O)c1cnc2n1CCC2	ZINC000598735513	361502755	/nfs/dbraw/zinc/50/27/55/361502755.db2.gz	RKOHFUODTAOWAJ-UHFFFAOYSA-N	-1	0	282.307	0.976	20	30		CCEDRM
N#Cc1cc(C(=O)NCc2n[nH]c(=O)[n-]2)ccc1Cl	ZINC000612610324	363967531	/nfs/dbraw/zinc/96/75/31/363967531.db2.gz	WSHVOTMLGXNHNU-UHFFFAOYSA-N	-1	0	277.671	0.965	20	30		CCEDRM
C=CC[C@@H](CO)CNC(=O)c1ccc2oc(=O)nc-2[n-]1	ZINC000613253044	364182262	/nfs/dbraw/zinc/18/22/62/364182262.db2.gz	MUOKWMWDUYJZLG-MRVPVSSYSA-N	-1	0	277.280	0.843	20	30		CCEDRM
C=CCCCN(C)C(=O)C(=O)NC[C@H](C(=O)[O-])C(C)C	ZINC000656011327	412733125	/nfs/dbraw/zinc/73/31/25/412733125.db2.gz	YPVJSRHBBJDLAH-NSHDSACASA-N	-1	0	284.356	0.884	20	30		CCEDRM
C=C(C)CN(CC)C(=O)C(=O)NC[C@@H](C(=O)[O-])C(C)C	ZINC000656014860	412733978	/nfs/dbraw/zinc/73/39/78/412733978.db2.gz	WXURLPRHKXVSIT-LLVKDONJSA-N	-1	0	284.356	0.884	20	30		CCEDRM
Cn1cc(C#N)c(=NC(=O)N[C@H]2c3ccccc3C[C@@H]2O)[n-]1	ZINC000614182115	364523986	/nfs/dbraw/zinc/52/39/86/364523986.db2.gz	CLVKQFKJWWJLKO-STQMWFEESA-N	-1	0	297.318	0.493	20	30		CCEDRM
N#CC1(CS(=O)(=O)N2CSC[C@H]2C(=O)[O-])CC1	ZINC000614367176	364586980	/nfs/dbraw/zinc/58/69/80/364586980.db2.gz	ZSFBNIBVZAGIKG-ZETCQYMHSA-N	-1	0	276.339	0.079	20	30		CCEDRM
C=CCCCS(=O)(=O)N[C@H](CCF)C(=O)[O-]	ZINC000656164258	412756585	/nfs/dbraw/zinc/75/65/85/412756585.db2.gz	KEZCVJCTRKEAIS-MRVPVSSYSA-N	-1	0	253.295	0.685	20	30		CCEDRM
C=CC[C@H]1CCN(S(=O)(=O)c2cnn(CC(=O)[O-])c2)C1	ZINC000629334469	369633459	/nfs/dbraw/zinc/63/34/59/369633459.db2.gz	REQGCPIITBPVBI-JTQLQIEISA-N	-1	0	299.352	0.554	20	30		CCEDRM
C=C(C)C[C@H](NC(=O)CN1CCCCCC1=O)C(=O)[O-]	ZINC000630318378	370045940	/nfs/dbraw/zinc/04/59/40/370045940.db2.gz	ZNGPRMKMJBAAHO-NSHDSACASA-N	-1	0	282.340	0.925	20	30		CCEDRM
C=C(C)C[C@H](NC(=O)CS(=O)(=O)C(C)(C)C)C(=O)[O-]	ZINC000630320005	370046046	/nfs/dbraw/zinc/04/60/46/370046046.db2.gz	MYBATUFZYJMTGK-VIFPVBQESA-N	-1	0	291.369	0.735	20	30		CCEDRM
C=CCCOCC(=O)N1C[C@@H](OC)C[C@@]1(C)C(=O)[O-]	ZINC000630308538	370040588	/nfs/dbraw/zinc/04/05/88/370040588.db2.gz	DXWKJWHZHOEQGD-GWCFXTLKSA-N	-1	0	271.313	0.670	20	30		CCEDRM
C=C(C)C[C@@H](NS(=O)(=O)CC[C@H]1CCCO1)C(=O)[O-]	ZINC000630438168	370115903	/nfs/dbraw/zinc/11/59/03/370115903.db2.gz	MYDHONBGMXQRKD-GHMZBOCLSA-N	-1	0	291.369	0.894	20	30		CCEDRM
C=C(C)C[C@H](NS(=O)(=O)N1CC[C@H](C)C1)C(=O)[O-]	ZINC000630438680	370116834	/nfs/dbraw/zinc/11/68/34/370116834.db2.gz	WKUCSPSOMWRJEG-UWVGGRQHSA-N	-1	0	276.358	0.582	20	30		CCEDRM
C=C(C)C[C@@H](NC(=O)NC[C@H]1CCOC1)C(=O)[O-]	ZINC000630468273	370127596	/nfs/dbraw/zinc/12/75/96/370127596.db2.gz	GERBAZFSTGDCIY-NXEZZACHSA-N	-1	0	256.302	0.742	20	30		CCEDRM
C=C(C)C[C@H](NC(=O)NC[C@@H]1CCOC1)C(=O)[O-]	ZINC000630468282	370128209	/nfs/dbraw/zinc/12/82/09/370128209.db2.gz	GERBAZFSTGDCIY-UWVGGRQHSA-N	-1	0	256.302	0.742	20	30		CCEDRM
C=C(C)C[C@@H](NC(=O)NCCOCCF)C(=O)[O-]	ZINC000630483157	370131157	/nfs/dbraw/zinc/13/11/57/370131157.db2.gz	LOOVREHHDNNNEM-SECBINFHSA-N	-1	0	262.281	0.691	20	30		CCEDRM
C=C(C)C[C@@H](NS(=O)(=O)C[C@H](C)COC)C(=O)[O-]	ZINC000634654771	372126935	/nfs/dbraw/zinc/12/69/35/372126935.db2.gz	UBTXLJOPTGJLRV-NXEZZACHSA-N	-1	0	279.358	0.608	20	30		CCEDRM
C=C1CCN(C(=O)c2cccc(-n3[n-]nnc3=N)c2)CC1	ZINC000635503353	372566819	/nfs/dbraw/zinc/56/68/19/372566819.db2.gz	KTOZNLRKWFHCSH-UHFFFAOYSA-N	-1	0	284.323	0.867	20	30		CCEDRM
C=CCCNC(=O)N1CC[C@@H](OC)C[C@@H]1C(=O)[O-]	ZINC000656588306	412830885	/nfs/dbraw/zinc/83/08/85/412830885.db2.gz	IWOIWSUGPRLMBG-NXEZZACHSA-N	-1	0	256.302	0.836	20	30		CCEDRM
C=CCOCCCNC(=O)N(CC(=O)[O-])C1CC1	ZINC000656595480	412833415	/nfs/dbraw/zinc/83/34/15/412833415.db2.gz	KQBYPAOUNXMEGQ-UHFFFAOYSA-N	-1	0	256.302	0.838	20	30		CCEDRM
CC(C)Cc1n[n-]c(=NC(=O)NCC#CCO)s1	ZINC000639451886	375787099	/nfs/dbraw/zinc/78/70/99/375787099.db2.gz	IYGBHRJMJODXDD-UHFFFAOYSA-N	-1	0	268.342	0.276	20	30		CCEDRM
CC(C)(C)c1n[n-]c(=NC(=O)NCC#CCO)s1	ZINC000639574453	375841593	/nfs/dbraw/zinc/84/15/93/375841593.db2.gz	XMZUEOKDGHOAOS-UHFFFAOYSA-N	-1	0	268.342	0.375	20	30		CCEDRM
C=CCCN(C)C(=O)N=c1ccc(C(=O)NC)n[n-]1	ZINC000640338814	376330969	/nfs/dbraw/zinc/33/09/69/376330969.db2.gz	RSKKJTVFPROMSW-UHFFFAOYSA-N	-1	0	263.301	0.298	20	30		CCEDRM
Cn1ncnc1[N-]S(=O)(=O)c1ccc(C#N)cc1	ZINC000126960236	284732125	/nfs/dbraw/zinc/73/21/25/284732125.db2.gz	QMWYNQNPEYPYQD-UHFFFAOYSA-N	-1	0	263.282	0.488	20	30		CCEDRM
Cn1ncnc1[N-]S(=O)(=O)c1ccc(C#N)cc1F	ZINC000126989201	284732339	/nfs/dbraw/zinc/73/23/39/284732339.db2.gz	BCQZOGYELCHCRM-UHFFFAOYSA-N	-1	0	281.272	0.627	20	30		CCEDRM
CO[C@H](C)CS(=O)(=O)[N-]c1ccc(C#N)c(C)n1	ZINC000451093511	533101860	/nfs/dbraw/zinc/10/18/60/533101860.db2.gz	WBVONJBDFUENGM-MRVPVSSYSA-N	-1	0	269.326	0.460	20	30		CCEDRM
C[C@@H]1CCCN(S(=O)(=O)CC2(C#N)CC2)[C@@H]1C(=O)[O-]	ZINC000331901740	296392409	/nfs/dbraw/zinc/39/24/09/296392409.db2.gz	BZLIWPPJEBLGMJ-ZJUUUORDSA-N	-1	0	286.353	0.805	20	30		CCEDRM
C#C[C@@H](C)NC(=O)c1ccccc1[N-]S(C)(=O)=O	ZINC000185368675	388801559	/nfs/dbraw/zinc/80/15/59/388801559.db2.gz	JIGFWKUGSVWCFJ-SECBINFHSA-N	-1	0	266.322	0.810	20	30		CCEDRM
CC[C@H](CC#N)NC(=O)c1c[nH]c2nc(=O)[n-]c(=O)c-2c1	ZINC000183911690	388765010	/nfs/dbraw/zinc/76/50/10/388765010.db2.gz	UIANTXGTLWFNQP-MRVPVSSYSA-N	-1	0	287.279	0.033	20	30		CCEDRM
C#CCO[N-]C(=O)[C@H](c1ccccc1F)N1CCOCC1	ZINC000291310688	388919787	/nfs/dbraw/zinc/91/97/87/388919787.db2.gz	RQAIGJRAKGRTAO-AWEZNQCLSA-N	-1	0	292.310	0.880	20	30		CCEDRM
N#Cc1ccc(C(=O)N2CCS(=O)CC2)cc1O	ZINC000188445700	388928009	/nfs/dbraw/zinc/92/80/09/388928009.db2.gz	KSKWGWBGSBRRNB-UHFFFAOYSA-N	-1	0	264.306	0.468	20	30		CCEDRM
C=CCCCS(=O)(=O)N[C@@H]1C=C[C@@H](C(=O)[O-])C1	ZINC000291827770	388939814	/nfs/dbraw/zinc/93/98/14/388939814.db2.gz	FVRREAWUUFYPKU-NXEZZACHSA-N	-1	0	259.327	0.901	20	30		CCEDRM
CCSc1n[n-]c(=NC(=O)N2CCO[C@@H](C#N)C2)s1	ZINC000358348739	389149426	/nfs/dbraw/zinc/14/94/26/389149426.db2.gz	DATZALXFNWXODX-ZETCQYMHSA-N	-1	0	299.381	0.828	20	30		CCEDRM
CC(=O)N1CC(NC(=O)c2csc(NC3CC3)n2)C1	ZINC000329426594	389163155	/nfs/dbraw/zinc/16/31/55/389163155.db2.gz	HBZDZYPWHNEHRF-UHFFFAOYSA-N	-1	0	280.353	0.675	20	30		CCEDRM
C=CCNC(=O)c1cc(S(=O)(=O)N(C)C)ccc1[O-]	ZINC000362193774	389231419	/nfs/dbraw/zinc/23/14/19/389231419.db2.gz	XDQHYMLWPVBNHA-UHFFFAOYSA-N	-1	0	284.337	0.558	20	30		CCEDRM
CC(C)(C)n1cnc(=NC(=O)NCCCC#N)[n-]1	ZINC000345597343	389310702	/nfs/dbraw/zinc/31/07/02/389310702.db2.gz	WNMOOANPHLSLTA-UHFFFAOYSA-N	-1	0	250.306	0.880	20	30		CCEDRM
N#Cc1nc(NC(=O)CC2(O)CCCC2)[n-]c1C#N	ZINC000159579418	389369267	/nfs/dbraw/zinc/36/92/67/389369267.db2.gz	PTZGGXNSDIRTGP-UHFFFAOYSA-N	-1	0	259.269	0.787	20	30		CCEDRM
CNS(=O)(=O)c1cc(C(=O)N(C)C[C@H](C)C#N)c(C)o1	ZINC000267560587	389372210	/nfs/dbraw/zinc/37/22/10/389372210.db2.gz	GMSCLXFSIKGSPB-MRVPVSSYSA-N	-1	0	299.352	0.728	20	30		CCEDRM
C[C@H]1CCC[C@](C#N)(NC(=O)c2cnc([O-])n(C)c2=O)C1	ZINC000267677151	389373629	/nfs/dbraw/zinc/37/36/29/389373629.db2.gz	LEUHZYMNUNVTCX-XPTSAGLGSA-N	-1	0	290.323	0.688	20	30		CCEDRM
N#C[C@H]1CN(C(=O)c2cc([O-])cc([N+](=O)[O-])c2)CCO1	ZINC000269296118	389412876	/nfs/dbraw/zinc/41/28/76/389412876.db2.gz	RPMWIXUXLVWMOJ-NSHDSACASA-N	-1	0	277.236	0.665	20	30		CCEDRM
C=CCS(=O)(=O)[N-]C(=O)[C@@H]1CCC(=O)[C@H](C)C1	ZINC000408444456	389351804	/nfs/dbraw/zinc/35/18/04/389351804.db2.gz	UBAUJNLVRMYZSY-RKDXNWHRSA-N	-1	0	259.327	0.624	20	30		CCEDRM
CC1(C)C[C@@H]1C(=O)[N-]S(=O)(=O)c1cncc(C#N)c1	ZINC000408483751	389365696	/nfs/dbraw/zinc/36/56/96/389365696.db2.gz	CGZZTRXQGJSPPO-SNVBAGLBSA-N	-1	0	279.321	0.804	20	30		CCEDRM
N#C[C@@H]1CN(C(=O)c2cc([N+](=O)[O-])ccc2[O-])CCO1	ZINC000271299854	389441101	/nfs/dbraw/zinc/44/11/01/389441101.db2.gz	SCIHRYWFFJXTKM-SECBINFHSA-N	-1	0	277.236	0.665	20	30		CCEDRM
N#Cc1ccccc1S(=O)(=O)[N-]N1CCCNC1=O	ZINC000276740936	389535657	/nfs/dbraw/zinc/53/56/57/389535657.db2.gz	RWTUNOJQWOIJFG-UHFFFAOYSA-N	-1	0	280.309	0.167	20	30		CCEDRM
N#C[C@H]1COCCN1C(=O)c1nn(-c2ccccc2)cc1[O-]	ZINC000175902457	389549282	/nfs/dbraw/zinc/54/92/82/389549282.db2.gz	DIEOLPZCGWOZCS-LBPRGKRZSA-N	-1	0	298.302	0.942	20	30		CCEDRM
COC(=O)CNS(=O)(=O)c1cccc(Cl)c1C#N	ZINC000178504768	389608156	/nfs/dbraw/zinc/60/81/56/389608156.db2.gz	DPFBOTAOYGCVCS-UHFFFAOYSA-N	-1	0	288.712	0.663	20	30		CCEDRM
CCOC(=O)Cn1cnc(=NC(=O)N[C@H](CC)CC#N)[n-]1	ZINC000425700666	389655369	/nfs/dbraw/zinc/65/53/69/389655369.db2.gz	KEPKENUPSOWWJP-SECBINFHSA-N	-1	0	294.315	0.077	20	30		CCEDRM
CC[C@H](C(=O)[O-])N(C)S(=O)(=O)c1cncc(C#N)c1	ZINC000388403356	389769209	/nfs/dbraw/zinc/76/92/09/389769209.db2.gz	BVSYQPKGZHVGPC-SNVBAGLBSA-N	-1	0	283.309	0.437	20	30		CCEDRM
N#Cc1ccc(CNC(=O)[C@@H]2CC[C@@H](C(=O)[O-])O2)cc1F	ZINC000404042211	389810329	/nfs/dbraw/zinc/81/03/29/389810329.db2.gz	AORIXZJEBCSTGU-RYUDHWBXSA-N	-1	0	292.266	0.946	20	30		CCEDRM
COC(=O)[C@H](C)N(C)C(=O)c1ccc(C#N)c(O)c1	ZINC000435944866	389967456	/nfs/dbraw/zinc/96/74/56/389967456.db2.gz	TVSDTUKMGVBPHY-QMMMGPOBSA-N	-1	0	262.265	0.897	20	30		CCEDRM
COC(=O)[C@@H](C)N(C)C(=O)c1ccc(C#N)c(O)c1	ZINC000435944860	389967546	/nfs/dbraw/zinc/96/75/46/389967546.db2.gz	TVSDTUKMGVBPHY-MRVPVSSYSA-N	-1	0	262.265	0.897	20	30		CCEDRM
CCn1cc(S(=O)(=O)[N-]c2c(C#N)cnn2CC)cn1	ZINC000438221021	390003785	/nfs/dbraw/zinc/00/37/85/390003785.db2.gz	FFFCNBTZHUHALP-UHFFFAOYSA-N	-1	0	294.340	0.792	20	30		CCEDRM
C=CCCO[C@@H](C)C(=O)N[C@@H](C(=O)[O-])c1ccnn1C	ZINC000647773722	390167601	/nfs/dbraw/zinc/16/76/01/390167601.db2.gz	FNUINRNZSMRKRR-GXSJLCMTSA-N	-1	0	281.312	0.643	20	30		CCEDRM
Cn1cc(C#N)cc1C(=O)N1CCC[C@H](c2nnn[n-]2)C1	ZINC000540427198	390219837	/nfs/dbraw/zinc/21/98/37/390219837.db2.gz	UFDQYALROXJQLI-JTQLQIEISA-N	-1	0	285.311	0.430	20	30		CCEDRM
CC(C)[C@@H](CNS(=O)(=O)CCCCC#N)C(=O)[O-]	ZINC000580386500	390242750	/nfs/dbraw/zinc/24/27/50/390242750.db2.gz	VPDZGMQQPSSULV-SNVBAGLBSA-N	-1	0	276.358	0.956	20	30		CCEDRM
CC(=NNCC(=O)[O-])C1CN(C(=O)OC(C)(C)C)C1	ZINC000495596775	390243405	/nfs/dbraw/zinc/24/34/05/390243405.db2.gz	SHLYCUXNKWOTEB-UHFFFAOYSA-N	-1	0	271.317	0.903	20	30		CCEDRM
C=C(C)CS(=O)(=O)N1CCC[C@@H]([C@@H](O)C(=O)[O-])C1	ZINC000584540799	390354780	/nfs/dbraw/zinc/35/47/80/390354780.db2.gz	LCLVTHRSGCQIAW-NXEZZACHSA-N	-1	0	277.342	0.050	20	30		CCEDRM
Cc1nnc([C@@H](C)[N-]S(=O)(=O)c2ccc(C#N)o2)o1	ZINC000554586679	390434774	/nfs/dbraw/zinc/43/47/74/390434774.db2.gz	PWGPROBGLFBXJZ-ZCFIWIBFSA-N	-1	0	282.281	0.882	20	30		CCEDRM
C=CCC[C@H](NS(=O)(=O)c1cncn1CC)C(=O)[O-]	ZINC000562321234	390488245	/nfs/dbraw/zinc/48/82/45/390488245.db2.gz	YSABORZEICLYGQ-VIFPVBQESA-N	-1	0	287.341	0.601	20	30		CCEDRM
C=CCC[C@H](NC(=O)CNC(=O)C1CC1)C(=O)[O-]	ZINC000562649290	390490543	/nfs/dbraw/zinc/49/05/43/390490543.db2.gz	MGWQLFREXKJWGN-VIFPVBQESA-N	-1	0	254.286	0.048	20	30		CCEDRM
C=C(C)[C@@H]1OCC[C@H]1CNC(=O)NC1(C(=O)[O-])CC1	ZINC000562975989	390492251	/nfs/dbraw/zinc/49/22/51/390492251.db2.gz	ZQIMVWNTUULLSJ-UWVGGRQHSA-N	-1	0	268.313	0.884	20	30		CCEDRM
N#CCC1(CS(=O)(=O)N2CC[C@H]2C(=O)[O-])CC1	ZINC000515173386	390472752	/nfs/dbraw/zinc/47/27/52/390472752.db2.gz	AKQQDMJDXRLEEK-QMMMGPOBSA-N	-1	0	258.299	0.169	20	30		CCEDRM
CC#CCN(C)C(=O)NCC1(C(=O)[O-])CCOCC1	ZINC000646167457	390622707	/nfs/dbraw/zinc/62/27/07/390622707.db2.gz	OZJBNEILONTUOX-UHFFFAOYSA-N	-1	0	268.313	0.533	20	30		CCEDRM
C=CCC[C@@H](CO)NC(=O)N[C@@H]1CC[C@H](C(=O)[O-])C1	ZINC000646180679	390626034	/nfs/dbraw/zinc/62/60/34/390626034.db2.gz	WQONRJJYSBZFOY-AXFHLTTASA-N	-1	0	270.329	0.866	20	30		CCEDRM
C=CCC[C@@H](NS(=O)(=O)N(CC)CC1CC1)C(=O)[O-]	ZINC000568580983	390714238	/nfs/dbraw/zinc/71/42/38/390714238.db2.gz	SPHQLHGVJCDPQE-LLVKDONJSA-N	-1	0	290.385	0.972	20	30		CCEDRM
C=C(C)[C@H]1OCC[C@H]1C(=O)N1CC[C@](COC)(C(=O)[O-])C1	ZINC000567275661	390685710	/nfs/dbraw/zinc/68/57/10/390685710.db2.gz	WUWLFUFSNCMEHD-JMSVASOKSA-N	-1	0	297.351	0.917	20	30		CCEDRM
N#Cc1c[n-]c(=O)n(Cc2nnc(C3CC3)n2C2CC2)c1=O	ZINC000572158264	390770766	/nfs/dbraw/zinc/77/07/66/390770766.db2.gz	IHUNVLGKKPIXDT-UHFFFAOYSA-N	-1	0	298.306	0.260	20	30		CCEDRM
C[C@H]1OCCN(S(=O)(=O)CCCCC#N)[C@@H]1C(=O)[O-]	ZINC000578280282	390875000	/nfs/dbraw/zinc/87/50/00/390875000.db2.gz	CELDFJZEQMMJEJ-ZJUUUORDSA-N	-1	0	290.341	0.184	20	30		CCEDRM
C=CCn1cc(C(=O)N[C@H](CCC)C(=O)[O-])nn1	ZINC000647598319	390847809	/nfs/dbraw/zinc/84/78/09/390847809.db2.gz	LDDTTWLAJVBKLN-MRVPVSSYSA-N	-1	0	252.274	0.447	20	30		CCEDRM
COC(=O)CCc1n[n-]c(=NC(=O)NCCCC#N)s1	ZINC000345278688	533462518	/nfs/dbraw/zinc/46/25/18/533462518.db2.gz	MECCVCZPQJWDSP-UHFFFAOYSA-N	-1	0	297.340	0.491	20	30		CCEDRM
C=CCCO[C@H](C)C(=O)N[C@]1(C(=O)[O-])CCOC1	ZINC000262197086	131200034	/nfs/dbraw/zinc/20/00/34/131200034.db2.gz	ZMGHJBQQGFRBIC-BXKDBHETSA-N	-1	0	257.286	0.328	20	30		CCEDRM
COc1cc(C#N)ccc1OCC(=O)N(C)[C@H](C)C(=O)[O-]	ZINC000263341446	131290707	/nfs/dbraw/zinc/29/07/07/131290707.db2.gz	XRPIFPNAJMCYPT-SECBINFHSA-N	-1	0	292.291	0.877	20	30		CCEDRM
Cc1[n-][nH]c(=NC(=O)C2CN(CC(F)(F)F)C2)c1C#N	ZINC000357247583	144073845	/nfs/dbraw/zinc/07/38/45/144073845.db2.gz	BTXQMBDWJRJFBF-UHFFFAOYSA-N	-1	0	287.245	0.444	20	30		CCEDRM
CC(C)n1cc(C#N)c(=NC(=O)C(=O)N[C@H]2CC[C@@H]2C)[n-]1	ZINC000357310019	144080964	/nfs/dbraw/zinc/08/09/64/144080964.db2.gz	NLTKMXXBMKYGCV-ONGXEEELSA-N	-1	0	289.339	0.611	20	30		CCEDRM
Cn1ccnc1-c1noc(=NCc2nc(C#N)cs2)[n-]1	ZINC000357695308	144113684	/nfs/dbraw/zinc/11/36/84/144113684.db2.gz	DTWDNIPADMJNJN-UHFFFAOYSA-N	-1	0	287.308	0.832	20	30		CCEDRM
N#CCC1(CS(=O)(=O)N2CCC[C@@H]2CC(=O)[O-])CC1	ZINC000593269674	397584808	/nfs/dbraw/zinc/58/48/08/397584808.db2.gz	NQTQFFGGBIZQPK-SNVBAGLBSA-N	-1	0	286.353	0.949	20	30		CCEDRM
C=CCN1CC[C@@H](N(CC(=O)[O-])CC2CC2)C1=O	ZINC000650510013	397725639	/nfs/dbraw/zinc/72/56/39/397725639.db2.gz	GQQYGQXDPHAZNX-LLVKDONJSA-N	-1	0	252.314	0.570	20	30		CCEDRM
COC[C@H](C(=O)[O-])N(C)S(=O)(=O)c1cccc(C#N)c1	ZINC000548240535	286019027	/nfs/dbraw/zinc/01/90/27/286019027.db2.gz	CKVMVVQQHPVSSO-LLVKDONJSA-N	-1	0	298.320	0.278	20	30		CCEDRM
Cc1cc(C#N)cnc1C(=O)N=c1[n-]ncn1C1CC1	ZINC000552234183	286160494	/nfs/dbraw/zinc/16/04/94/286160494.db2.gz	PLQYHDKJCWMLRD-UHFFFAOYSA-N	-1	0	268.280	0.862	20	30		CCEDRM
C=CCOC[C@@H](NC(=O)C1(OCC)CCC1)C(=O)[O-]	ZINC000659156437	413317098	/nfs/dbraw/zinc/31/70/98/413317098.db2.gz	KWFJFFLXGMYWND-SNVBAGLBSA-N	-1	0	271.313	0.718	20	30		CCEDRM
C=CCC1(NC(=O)[C@@H]2C[C@H]2C(=O)[O-])CCOCC1	ZINC000659188702	413332825	/nfs/dbraw/zinc/33/28/25/413332825.db2.gz	FAPAWBSVCOLVKC-NXEZZACHSA-N	-1	0	253.298	0.949	20	30		CCEDRM
C=CCOCCNC(=O)c1cnc(C(=O)[O-])cn1	ZINC000659229693	413346472	/nfs/dbraw/zinc/34/64/72/413346472.db2.gz	YVLUYQLMCFNPMH-UHFFFAOYSA-N	-1	0	251.242	0.107	20	30		CCEDRM
C=C(CC)CNC(=O)N1C[C@@H]2COC[C@]2(C(=O)[O-])C1	ZINC000659402922	413475037	/nfs/dbraw/zinc/47/50/37/413475037.db2.gz	BCCHNNWXZMOPFB-ZWNOBZJWSA-N	-1	0	268.313	0.695	20	30		CCEDRM
C=C(C)CN(C)C(=O)C(=O)N=c1ncn(C(C)C)[n-]1	ZINC000651654882	411911974	/nfs/dbraw/zinc/91/19/74/411911974.db2.gz	FQHQEJKGSDIBQQ-UHFFFAOYSA-N	-1	0	265.317	0.254	20	30		CCEDRM
C=CCC(C)(C)CNC(=O)C(=O)N=c1ncn(C(C)C)[n-]1	ZINC000651822565	411937574	/nfs/dbraw/zinc/93/75/74/411937574.db2.gz	CEBWERVAPLXGDP-UHFFFAOYSA-N	-1	0	293.371	0.938	20	30		CCEDRM
C=CCn1cc(C(=O)N2C[C@@H](C(=O)[O-])[C@H](C3CC3)C2)nn1	ZINC000652122901	411989969	/nfs/dbraw/zinc/98/99/69/411989969.db2.gz	PJFZWEGIGLMHNH-WDEREUQCSA-N	-1	0	290.323	0.647	20	30		CCEDRM
C#CCNS(=O)(=O)c1cc(C(=O)[O-])ccc1C	ZINC000021804155	171326518	/nfs/dbraw/zinc/32/65/18/171326518.db2.gz	ORWQTKSFZFSRCK-UHFFFAOYSA-N	-1	0	253.279	0.605	20	30		CCEDRM
CC[C@H](NS(=O)(=O)Cc1cccc(C#N)c1)C(=O)[O-]	ZINC000035410720	172181842	/nfs/dbraw/zinc/18/18/42/172181842.db2.gz	NLWZYULNTTYOTD-NSHDSACASA-N	-1	0	282.321	0.841	20	30		CCEDRM
C=CC[C@H]1CCCN(C(=O)C(=O)NC[C@H](C)C(=O)[O-])C1	ZINC000659661972	413760796	/nfs/dbraw/zinc/76/07/96/413760796.db2.gz	NSFNFIZEFHPGPU-QWRGUYRKSA-N	-1	0	282.340	0.638	20	30		CCEDRM
C[C@H](CC(=O)[O-])NS(=O)(=O)c1ccccc1C#N	ZINC000037413188	173189472	/nfs/dbraw/zinc/18/94/72/173189472.db2.gz	VXFJKJWLORUKBP-MRVPVSSYSA-N	-1	0	268.294	0.700	20	30		CCEDRM
C=CCNC(=O)CNC(=O)[C@@H](C(=O)[O-])C1CCCC1	ZINC000663042009	414961342	/nfs/dbraw/zinc/96/13/42/414961342.db2.gz	MRJAFGFQZHKTOA-NSHDSACASA-N	-1	0	268.313	0.296	20	30		CCEDRM
C=CCn1cc(CNC(=O)C2(C(=O)[O-])CC=CC2)nn1	ZINC000663057236	414966345	/nfs/dbraw/zinc/96/63/45/414966345.db2.gz	QNHLUFJGGOKRHM-UHFFFAOYSA-N	-1	0	276.296	0.501	20	30		CCEDRM
CC#CCCNC(=O)C(=O)NC[C@H](C(=O)[O-])C1CCC1	ZINC000663634966	415100875	/nfs/dbraw/zinc/10/08/75/415100875.db2.gz	IKJUXTANGXAQAS-NSHDSACASA-N	-1	0	280.324	0.133	20	30		CCEDRM
O=C(NCC1(O)CCC1)c1cccn2c([O-])nnc12	ZINC000329098151	227295789	/nfs/dbraw/zinc/29/57/89/227295789.db2.gz	LVTBXUIBRINAME-UHFFFAOYSA-N	-1	0	262.269	0.655	20	30		CCEDRM
Cn1cc([C@H]2CN(C(=O)N=c3cn[n-]s3)CCO2)cn1	ZINC000330242243	228077001	/nfs/dbraw/zinc/07/70/01/228077001.db2.gz	GBUJTVXGAWBUKK-SECBINFHSA-N	-1	0	294.340	0.891	20	30		CCEDRM
COCCOC1CN(C(=O)N=c2cn[n-]s2)C1	ZINC000330258627	228083359	/nfs/dbraw/zinc/08/33/59/228083359.db2.gz	MPRIGDLETMGTLU-UHFFFAOYSA-N	-1	0	258.303	0.431	20	30		CCEDRM
C#CC[C@@H](NS(=O)(=O)c1ccc(C)s1)C(=O)[O-]	ZINC000161245895	261241814	/nfs/dbraw/zinc/24/18/14/261241814.db2.gz	ISPLEPYWERNYRU-MRVPVSSYSA-N	-1	0	273.335	0.811	20	30		CCEDRM
C=CCNC(=O)CNC(=O)c1cc(F)c([O-])c(F)c1	ZINC000186989465	262332826	/nfs/dbraw/zinc/33/28/26/262332826.db2.gz	ZKBAJHBTJSXXOM-UHFFFAOYSA-N	-1	0	270.235	0.702	20	30		CCEDRM
N#C[C@H]1COCCN1C(=O)c1cc([O-])cc([N+](=O)[O-])c1	ZINC000272453098	263004828	/nfs/dbraw/zinc/00/48/28/263004828.db2.gz	BEMYGBFLUFBYMG-JTQLQIEISA-N	-1	0	277.236	0.665	20	30		CCEDRM
C[C@H](CC#N)N(C)C(=O)CNC(=O)c1cccc(O)c1	ZINC000274432442	263024130	/nfs/dbraw/zinc/02/41/30/263024130.db2.gz	GCNIXJGLKHPLPI-SNVBAGLBSA-N	-1	0	275.308	0.883	20	30		CCEDRM
C=CCN(CC(=O)[O-])S(=O)(=O)CC1(C#N)CC1	ZINC000275339428	263033016	/nfs/dbraw/zinc/03/30/16/263033016.db2.gz	RMMYVJQCONIHES-UHFFFAOYSA-N	-1	0	258.299	0.193	20	30		CCEDRM
CC(C)(C)[C@@H](C#N)NC(=O)CSc1n[nH]c(=O)[n-]1	ZINC000292083612	263128336	/nfs/dbraw/zinc/12/83/36/263128336.db2.gz	MVSDHHPXQZMNFW-ZCFIWIBFSA-N	-1	0	269.330	0.245	20	30		CCEDRM
C[C@H](C#N)NC(=O)c1c[nH]c2nc(=O)[n-]c(=O)c-2c1	ZINC000340432692	263143627	/nfs/dbraw/zinc/14/36/27/263143627.db2.gz	GZZFLYMZPLROOJ-RXMQYKEDSA-N	-1	0	259.225	0.078	20	30		CCEDRM
C=CCCC[C@@H](C)NC(=O)C(=O)N=c1ccc(OC)n[n-]1	ZINC000342212404	263408515	/nfs/dbraw/zinc/40/85/15/263408515.db2.gz	YAKUSVFJSGPKSL-SNVBAGLBSA-N	-1	0	292.339	0.707	20	30		CCEDRM
CS(=O)(=O)[N-]c1ccccc1C(=O)N[C@H]1CNC(=O)C1	ZINC000330723341	264024914	/nfs/dbraw/zinc/02/49/14/264024914.db2.gz	DANPTXLPKSAFHH-MRVPVSSYSA-N	-1	0	297.336	0.251	20	30		CCEDRM
C[C@H]([C@@H](C)S(C)(=O)=O)N(C)C(=O)N=c1cn[n-]s1	ZINC000331172751	264146831	/nfs/dbraw/zinc/14/68/31/264146831.db2.gz	OQSGMGLRPWWODK-RNFRBKRXSA-N	-1	0	292.386	0.837	20	30		CCEDRM
CNC(=O)C(C)(C)C/N=C(/[O-])Nc1cccn(C)c1=O	ZINC000331299310	264198748	/nfs/dbraw/zinc/19/87/48/264198748.db2.gz	BILWJWSUPUKAAG-UHFFFAOYSA-N	-1	0	280.328	0.483	20	30		CCEDRM
C=CC[C@@H](NS(=O)(=O)C[C@H]1CCCO1)C(=O)[O-]	ZINC000161291951	264275886	/nfs/dbraw/zinc/27/58/86/264275886.db2.gz	ISTUXOXQLAUPPG-RKDXNWHRSA-N	-1	0	263.315	0.114	20	30		CCEDRM
C=CC[C@H](NS(=O)(=O)c1cn(C)c(C)n1)C(=O)[O-]	ZINC000161283899	264279535	/nfs/dbraw/zinc/27/95/35/264279535.db2.gz	NNLWAHDMCDZHRV-QMMMGPOBSA-N	-1	0	273.314	0.036	20	30		CCEDRM
C=CCN=c1[n-]nc(S(=O)(=O)Cc2cccnc2)s1	ZINC000357129700	266252119	/nfs/dbraw/zinc/25/21/19/266252119.db2.gz	ICNBDUGPXWZWBC-UHFFFAOYSA-N	-1	0	296.377	0.927	20	30		CCEDRM
C[C@@H]1[C@H](C(=O)[O-])CCN1S(=O)(=O)CCCCC#N	ZINC000376758269	268014336	/nfs/dbraw/zinc/01/43/36/268014336.db2.gz	NDFLSEKUIRBXCV-NXEZZACHSA-N	-1	0	274.342	0.805	20	30		CCEDRM
Cc1nn2c([n-]nc2SCC2(C#N)CC2)nc1=O	ZINC000534305740	328044350	/nfs/dbraw/zinc/04/43/50/328044350.db2.gz	IAWKZISRRGPMEX-UHFFFAOYSA-N	-1	0	262.298	0.517	20	30		CCEDRM
C[C@@H](C#N)CN(C)S(=O)(=O)N(C)CCCC(=O)[O-]	ZINC000563539446	328073483	/nfs/dbraw/zinc/07/34/83/328073483.db2.gz	RNTZREDUZSNVHF-VIFPVBQESA-N	-1	0	277.346	0.119	20	30		CCEDRM
N#CCc1cccc(C(=O)N[C@@]2(C(=O)[O-])CCOC2)c1	ZINC000262085896	328144661	/nfs/dbraw/zinc/14/46/61/328144661.db2.gz	FEVYGTZNTFFLMT-AWEZNQCLSA-N	-1	0	274.276	0.726	20	30		CCEDRM
C=CCOC[C@H](NC(=O)N[C@@H](C)CSC)C(=O)[O-]	ZINC000557655372	327019680	/nfs/dbraw/zinc/01/96/80/327019680.db2.gz	NFXVGJQAJXJSSM-IUCAKERBSA-N	-1	0	276.358	0.693	20	30		CCEDRM
CCN(C[C@H](C)C#N)S(=O)(=O)N[C@@H](C(=O)[O-])C1CC1	ZINC000569249931	327074403	/nfs/dbraw/zinc/07/44/03/327074403.db2.gz	VHNOGYHJDYEEBS-PSASIEDQSA-N	-1	0	289.357	0.166	20	30		CCEDRM
CCN(C[C@@H](C)C#N)S(=O)(=O)N[C@H](C(=O)[O-])C1CC1	ZINC000569249947	327074405	/nfs/dbraw/zinc/07/44/05/327074405.db2.gz	VHNOGYHJDYEEBS-WPRPVWTQSA-N	-1	0	289.357	0.166	20	30		CCEDRM
C=CCS(=O)(=O)[N-]C(=O)[C@H]1CCC[C@@H](OC)C1	ZINC000408132864	327107350	/nfs/dbraw/zinc/10/73/50/327107350.db2.gz	MGVYNUYMAAZGJI-VHSXEESVSA-N	-1	0	261.343	0.824	20	30		CCEDRM
C=CCC[C@@H](NS(=O)(=O)N1CC[C@H](C)C1)C(=O)[O-]	ZINC000558878931	327129335	/nfs/dbraw/zinc/12/93/35/327129335.db2.gz	HXZDIFNMKBXGAJ-VHSXEESVSA-N	-1	0	276.358	0.582	20	30		CCEDRM
N#Cc1cc(S(=O)(=O)N[C@H]2C[C@H](C(=O)[O-])C2)ccc1F	ZINC000579465436	327376240	/nfs/dbraw/zinc/37/62/40/327376240.db2.gz	YVVMVNCHLAKWEN-XWEPSHTISA-N	-1	0	298.295	0.839	20	30		CCEDRM
C=CCCCCCNC(=O)C(=O)N(C)CCC(=O)[O-]	ZINC000565223768	327527170	/nfs/dbraw/zinc/52/71/70/327527170.db2.gz	AIYAKXSXIHSGJO-UHFFFAOYSA-N	-1	0	270.329	0.782	20	30		CCEDRM
C#CCCCNS(=O)(=O)c1cn2c(n1)CCCC2	ZINC000378605272	329056450	/nfs/dbraw/zinc/05/64/50/329056450.db2.gz	JSIBHGZBJGKYFL-UHFFFAOYSA-N	-1	0	267.354	0.911	20	30		CCEDRM
C=C[C@@H]1OCC[C@H]1CNC(=O)N=c1[n-]ncs1	ZINC000583078548	329311030	/nfs/dbraw/zinc/31/10/30/329311030.db2.gz	BAULCMFTRHAMKH-YUMQZZPRSA-N	-1	0	254.315	0.673	20	30		CCEDRM
N#CCCCS(=O)(=O)N1C[C@H]2C[C@@]2(C(=O)[O-])C1	ZINC000564137530	330006080	/nfs/dbraw/zinc/00/60/80/330006080.db2.gz	MYDVFFLZDXUMRT-PSASIEDQSA-N	-1	0	258.299	0.026	20	30		CCEDRM
N#CCCCS(=O)(=O)N1C[C@@H]2C[C@]2(C(=O)[O-])C1	ZINC000564137535	330006095	/nfs/dbraw/zinc/00/60/95/330006095.db2.gz	MYDVFFLZDXUMRT-WPRPVWTQSA-N	-1	0	258.299	0.026	20	30		CCEDRM
CC(C)C[C@H](CNS(=O)(=O)CCCC#N)C(=O)[O-]	ZINC000262498622	330017739	/nfs/dbraw/zinc/01/77/39/330017739.db2.gz	XKDRYUGTNQHCPI-SNVBAGLBSA-N	-1	0	276.358	0.956	20	30		CCEDRM
C=CCOC[C@H](NC(=O)[C@@H](C)CSC)C(=O)[O-]	ZINC000262903596	330036639	/nfs/dbraw/zinc/03/66/39/330036639.db2.gz	DWKGDICIONYCBA-IUCAKERBSA-N	-1	0	261.343	0.758	20	30		CCEDRM
C=CCOC[C@H](NC(=O)c1cc(C(C)=O)cn1C)C(=O)[O-]	ZINC000262955605	330037557	/nfs/dbraw/zinc/03/75/57/330037557.db2.gz	IUGXGWQIPHWSDH-NSHDSACASA-N	-1	0	294.307	0.613	20	30		CCEDRM
C#C[C@H](NC(=O)N1CCC(C(=O)[O-])CC1)[C@H]1CCCO1	ZINC000263347072	330052636	/nfs/dbraw/zinc/05/26/36/330052636.db2.gz	GWGKYEBKJBQKCH-NWDGAFQWSA-N	-1	0	280.324	0.673	20	30		CCEDRM
C#C[C@H](NC(=O)N1CC[C@H](C(=O)[O-])C1)[C@H]1CCCO1	ZINC000263407435	330054423	/nfs/dbraw/zinc/05/44/23/330054423.db2.gz	UCKXIYXBUCMACJ-GARJFASQSA-N	-1	0	266.297	0.283	20	30		CCEDRM
C#CCNC(=O)c1ccc(N(C)CCC(=O)[O-])nc1	ZINC000263439357	330055949	/nfs/dbraw/zinc/05/59/49/330055949.db2.gz	WNHXCMWISFHRMJ-UHFFFAOYSA-N	-1	0	261.281	0.356	20	30		CCEDRM
C[C@H](C(=O)[O-])N(C)S(=O)(=O)CC(C)(C)CC#N	ZINC000263566253	330058178	/nfs/dbraw/zinc/05/81/78/330058178.db2.gz	WKJXNTFMTDFYDF-MRVPVSSYSA-N	-1	0	262.331	0.661	20	30		CCEDRM
CC(C)C[C@@H](NS(=O)(=O)N(C)[C@H](C)CC#N)C(=O)[O-]	ZINC000263540914	330059150	/nfs/dbraw/zinc/05/91/50/330059150.db2.gz	CRUPXTNMNSZVJQ-NXEZZACHSA-N	-1	0	291.373	0.554	20	30		CCEDRM
C=CCCn1cc(C(=O)N(C)C[C@H](C)C(=O)[O-])nn1	ZINC000424249596	330332079	/nfs/dbraw/zinc/33/20/79/330332079.db2.gz	PCCPGQGRWPJXLZ-VIFPVBQESA-N	-1	0	266.301	0.647	20	30		CCEDRM
C=CCN(C)C(=O)C(=O)NCC(CC)(CC)C(=O)[O-]	ZINC000424493550	330357334	/nfs/dbraw/zinc/35/73/34/330357334.db2.gz	OIGPGEHWAQPYKN-UHFFFAOYSA-N	-1	0	270.329	0.638	20	30		CCEDRM
C=CCOC[C@@H](NC(=O)COc1cccc(F)c1)C(=O)[O-]	ZINC000455879355	331179415	/nfs/dbraw/zinc/17/94/15/331179415.db2.gz	QBIDXSMEDJETSR-GFCCVEGCSA-N	-1	0	297.282	0.977	20	30		CCEDRM
COCCN(CC#N)C(=O)c1ccc([N+](=O)[O-])c([O-])c1	ZINC000457182615	331214294	/nfs/dbraw/zinc/21/42/94/331214294.db2.gz	NLCDCPSYAGODGD-UHFFFAOYSA-N	-1	0	279.252	0.913	20	30		CCEDRM
C#C[C@H](CC)NC(=O)N=c1[n-]nc(CCC(=O)OC)s1	ZINC000491221479	332168999	/nfs/dbraw/zinc/16/89/99/332168999.db2.gz	XAMZCVGBMRQNCO-MRVPVSSYSA-N	-1	0	296.352	0.599	20	30		CCEDRM
C#CCNC(=O)CCSc1n[n-]c(=NCC=C)s1	ZINC000491623789	332248297	/nfs/dbraw/zinc/24/82/97/332248297.db2.gz	QLUHDZAURWKBAB-UHFFFAOYSA-N	-1	0	282.394	0.790	20	30		CCEDRM
C#CCO[N-]C(=O)[C@@H](C)NC(=O)/C=C/c1ccccc1	ZINC000493024618	332423270	/nfs/dbraw/zinc/42/32/70/332423270.db2.gz	NLLYFNLURHZUBO-BZYZDCJZSA-N	-1	0	272.304	0.886	20	30		CCEDRM
C=CCS(=O)(=O)[N-]C(=O)CCNC(=O)OC(C)(C)C	ZINC000494588677	332478925	/nfs/dbraw/zinc/47/89/25/332478925.db2.gz	FAQWJXRQXUICNH-UHFFFAOYSA-N	-1	0	292.357	0.533	20	30		CCEDRM
C=C[C@@H](CCC(=O)[O-])NS(=O)(=O)N1CCC[C@@H](C)C1	ZINC000516627604	332996056	/nfs/dbraw/zinc/99/60/56/332996056.db2.gz	NMZATWCODDEGLE-MNOVXSKESA-N	-1	0	290.385	0.972	20	30		CCEDRM
Cc1cc(C(=O)N[C@H](C#N)C2CC2)[nH]c2nc(=O)[n-]c(=O)c1-2	ZINC000174727602	333006470	/nfs/dbraw/zinc/00/64/70/333006470.db2.gz	PUOHKHLKKMZVSU-SECBINFHSA-N	-1	0	299.290	0.364	20	30		CCEDRM
C=CCCCS(=O)(=O)N[C@@H](C(=O)[O-])[C@@H](O)CCC	ZINC000521159709	333112685	/nfs/dbraw/zinc/11/26/85/333112685.db2.gz	QDYZWJWFZJQKMZ-VHSXEESVSA-N	-1	0	279.358	0.486	20	30		CCEDRM
C=C[C@@H](CCC(=O)[O-])NS(=O)(=O)N(CC)CC	ZINC000521977245	333229048	/nfs/dbraw/zinc/22/90/48/333229048.db2.gz	RZXXOKITVRTVDG-VIFPVBQESA-N	-1	0	264.347	0.582	20	30		CCEDRM
N#CC(C(=O)NC1CCCC1)=C([O-])c1cccnn1	ZINC000528923103	333464984	/nfs/dbraw/zinc/46/49/84/333464984.db2.gz	DKTICPVBGNFXBP-JTQLQIEISA-N	-1	0	258.281	0.858	20	30		CCEDRM
CCN([C@H](C)CC(=O)[O-])S(=O)(=O)CCCC#N	ZINC000548234201	334146960	/nfs/dbraw/zinc/14/69/60/334146960.db2.gz	VWTDCHWVTNENMB-SECBINFHSA-N	-1	0	262.331	0.805	20	30		CCEDRM
CN(CCC#N)S(=O)(=O)Nc1ccccc1C(=O)[O-]	ZINC000548572246	334162690	/nfs/dbraw/zinc/16/26/90/334162690.db2.gz	RJSXARFTBLCPQA-UHFFFAOYSA-N	-1	0	283.309	0.887	20	30		CCEDRM
C=CCN(CC(=O)[O-])S(=O)(=O)CCOC(C)C	ZINC000093665789	334476069	/nfs/dbraw/zinc/47/60/69/334476069.db2.gz	NYFAPWUTFIQKEP-UHFFFAOYSA-N	-1	0	265.331	0.314	20	30		CCEDRM
C=CCC[C@@H](NC(=O)Cn1cc([N+](=O)[O-])cn1)C(=O)[O-]	ZINC000263009222	334583426	/nfs/dbraw/zinc/58/34/26/334583426.db2.gz	XBCTZPKFWLKRMD-SECBINFHSA-N	-1	0	282.256	0.327	20	30		CCEDRM
C=CCNS(=O)(=O)c1cc(COC)cc(C(=O)[O-])c1	ZINC000566180348	334632873	/nfs/dbraw/zinc/63/28/73/334632873.db2.gz	FAYLHUCUHVGTOU-UHFFFAOYSA-N	-1	0	285.321	0.996	20	30		CCEDRM
C[C@H](C#N)CN(C)S(=O)(=O)N1CCC[C@]1(C)C(=O)[O-]	ZINC000567052588	334676914	/nfs/dbraw/zinc/67/69/14/334676914.db2.gz	DEFPPLXQLDWJBM-MWLCHTKSSA-N	-1	0	289.357	0.262	20	30		CCEDRM
C=CCOC[C@H](NC(=O)NC[C@@]1(C)CCCO1)C(=O)[O-]	ZINC000567108100	334681698	/nfs/dbraw/zinc/68/16/98/334681698.db2.gz	OWGBARBBJAZUDM-GXFFZTMASA-N	-1	0	286.328	0.511	20	30		CCEDRM
CCN(C[C@@H](C)C(=O)[O-])S(=O)(=O)N(C)[C@H](C)CC#N	ZINC000568002265	334783295	/nfs/dbraw/zinc/78/32/95/334783295.db2.gz	WUOGGPVNDMABAP-NXEZZACHSA-N	-1	0	291.373	0.508	20	30		CCEDRM
N#CC1(CS(=O)(=O)N2CSC[C@@H]2C(=O)[O-])CC1	ZINC000576408561	335200193	/nfs/dbraw/zinc/20/01/93/335200193.db2.gz	ZSFBNIBVZAGIKG-SSDOTTSWSA-N	-1	0	276.339	0.079	20	30		CCEDRM
C=C[C@H](CCC(=O)[O-])NS(=O)(=O)C1(COC)CC1	ZINC000576759263	335244605	/nfs/dbraw/zinc/24/46/05/335244605.db2.gz	WEZQHKWTTBMPMX-SECBINFHSA-N	-1	0	277.342	0.504	20	30		CCEDRM
C[C@H](C#N)CN(C)S(=O)(=O)N1CC[C@H](C)[C@@H]1C(=O)[O-]	ZINC000582006258	336189836	/nfs/dbraw/zinc/18/98/36/336189836.db2.gz	FBOQSAFCHSYOOB-KXUCPTDWSA-N	-1	0	289.357	0.118	20	30		CCEDRM
C=CCCOCC(=O)N[C@H](C(=O)[O-])C1CCOCC1	ZINC000668307205	545172367	/nfs/dbraw/zinc/17/23/67/545172367.db2.gz	AFAZVMZGLBAYRN-LBPRGKRZSA-N	-1	0	271.313	0.575	20	30		CCEDRM
CCc1[n-]n(C)c(=O)c1C(=O)N[C@@H](C)c1nncn1C	ZINC000329027082	527821025	/nfs/dbraw/zinc/82/10/25/527821025.db2.gz	VVZIELFVATYTQW-CBAPKCEASA-N	-1	0	278.316	0.687	20	30		CCEDRM
C=CC[C@@H](C)NC(=O)c1cc(S(N)(=O)=O)ccc1[O-]	ZINC000668854103	545192778	/nfs/dbraw/zinc/19/27/78/545192778.db2.gz	CDDILJIVLUHNDL-MRVPVSSYSA-N	-1	0	284.337	0.734	20	30		CCEDRM
CCCN1C[C@@H](C(=O)N=c2[nH][n-]c(C)c2C#N)CC1=O	ZINC000412289277	528270617	/nfs/dbraw/zinc/27/06/17/528270617.db2.gz	SGKYFRMBEFXLTI-VIFPVBQESA-N	-1	0	275.312	0.209	20	30		CCEDRM
CC(C)(C)c1nc(=NCCn2cnc(C#N)n2)s[n-]1	ZINC000343534828	535159718	/nfs/dbraw/zinc/15/97/18/535159718.db2.gz	FUKNLKGCMKNTDU-UHFFFAOYSA-N	-1	0	277.357	0.833	20	30		CCEDRM
CN(CCC(=O)[O-])S(=O)(=O)c1ccc(C#N)o1	ZINC000262320724	536311790	/nfs/dbraw/zinc/31/17/90/536311790.db2.gz	RFTCZCCWGYWPGG-UHFFFAOYSA-N	-1	0	258.255	0.246	20	30		CCEDRM
C=CCCOCC(=O)N(CCNC(C)=O)[C@@H](C)C(=O)[O-]	ZINC000679654950	545414233	/nfs/dbraw/zinc/41/42/33/545414233.db2.gz	MQVHLBFSOKOIGC-JTQLQIEISA-N	-1	0	286.328	0.017	20	30		CCEDRM
C=CC[C@@H](NS(=O)(=O)CC[C@H]1CCCO1)C(=O)[O-]	ZINC000681559017	545456280	/nfs/dbraw/zinc/45/62/80/545456280.db2.gz	XUHXQTFUXHSJIS-NXEZZACHSA-N	-1	0	277.342	0.504	20	30		CCEDRM
C=CC[C@H](NS(=O)(=O)N(C)CC1CC1)C(=O)[O-]	ZINC000681558179	545456283	/nfs/dbraw/zinc/45/62/83/545456283.db2.gz	OAERQNPBHGDOKG-VIFPVBQESA-N	-1	0	262.331	0.192	20	30		CCEDRM
C=CCC[C@@H](NS(=O)(=O)CC[C@@H]1CCCO1)C(=O)[O-]	ZINC000681578138	545456712	/nfs/dbraw/zinc/45/67/12/545456712.db2.gz	OUKQRDBFVYRTKX-WDEREUQCSA-N	-1	0	291.369	0.894	20	30		CCEDRM
C=CCNC(=O)C(C#N)=C([O-])c1cnc(OCC)cn1	ZINC000778606414	581160404	/nfs/dbraw/zinc/16/04/04/581160404.db2.gz	MVSLRDINYFTZKO-SECBINFHSA-N	-1	0	274.280	0.500	20	30		CCEDRM
N#CCN(CC(=O)[O-])C(=O)/C=C\c1cncc(F)c1	ZINC000739078126	581172173	/nfs/dbraw/zinc/17/21/73/581172173.db2.gz	YDQDLCLEGGOTBB-UPHRSURJSA-N	-1	0	263.228	0.671	20	30		CCEDRM
CC#CCS(=O)(=O)[N-]C(=O)c1cccc(C(=O)NC)c1	ZINC000791106348	581207768	/nfs/dbraw/zinc/20/77/68/581207768.db2.gz	HKFUMJRXRLHVMT-UHFFFAOYSA-N	-1	0	294.332	0.129	20	30		CCEDRM
CNC(=O)C(C#N)=C([O-])c1ccc2c(c1)ncn2C	ZINC000777304178	581112258	/nfs/dbraw/zinc/11/22/58/581112258.db2.gz	MSJRXEPQFYGSJM-SECBINFHSA-N	-1	0	256.265	0.642	20	30		CCEDRM
C[C@@H](NC(=O)[O-])C(=O)O[C@@H](C(N)=O)c1ccc(C#N)cc1	ZINC000738995026	581116792	/nfs/dbraw/zinc/11/67/92/581116792.db2.gz	LSQMNVSZRTUQPY-GMSGAONNSA-N	-1	0	291.263	0.284	20	30		CCEDRM
C[C@@H]1OC(=O)N[C@H]1C(=O)Nc1cc(C#N)ccc1[O-]	ZINC000788662818	581120802	/nfs/dbraw/zinc/12/08/02/581120802.db2.gz	ZRNDNLZGOAPAPK-QUBYGPBYSA-N	-1	0	261.237	0.699	20	30		CCEDRM
Cc1cc(C(=O)/C=C/c2cn(CC(=O)[O-])nn2)n(C)n1	ZINC000789159753	581135742	/nfs/dbraw/zinc/13/57/42/581135742.db2.gz	QAJZWDNKUWANIX-ONEGZZNKSA-N	-1	0	275.268	0.301	20	30		CCEDRM
COC[C@@H](/N=C/c1cc([N+](=O)[O-])ccc1[O-])C(=O)OC	ZINC000777870622	581138010	/nfs/dbraw/zinc/13/80/10/581138010.db2.gz	VEQKYOZXDLNELQ-KUKWCLJQSA-N	-1	0	282.252	0.907	20	30		CCEDRM
N#CCN(CC(=O)[O-])C(=O)CSCc1cccnc1	ZINC000739079483	581172748	/nfs/dbraw/zinc/17/27/48/581172748.db2.gz	XRHCJYFVZZFSQZ-UHFFFAOYSA-N	-1	0	279.321	0.752	20	30		CCEDRM
N#CCN(CC(=O)[O-])C(=O)c1cccnc1Cl	ZINC000739088573	581175330	/nfs/dbraw/zinc/17/53/30/581175330.db2.gz	WUSFGXPQQSCUIA-UHFFFAOYSA-N	-1	0	253.645	0.785	20	30		CCEDRM
C#CCOc1ccc(C(=O)NCCc2nc(=O)o[n-]2)cc1	ZINC000790078094	581176014	/nfs/dbraw/zinc/17/60/14/581176014.db2.gz	AYNCFPMBULEDRX-UHFFFAOYSA-N	-1	0	287.275	0.347	20	30		CCEDRM
C[C@@]1(C(=O)[N-]S(=O)(=O)CCCC#N)CCCO1	ZINC000776122631	581180871	/nfs/dbraw/zinc/18/08/71/581180871.db2.gz	SIRWTAMGNXKILH-JTQLQIEISA-N	-1	0	260.315	0.305	20	30		CCEDRM
C[C@H](CNC(=O)[O-])N(C)C(=O)c1ccc(C#N)cn1	ZINC000738934616	581203584	/nfs/dbraw/zinc/20/35/84/581203584.db2.gz	QPPOZRHAANKQQU-MRVPVSSYSA-N	-1	0	262.269	0.681	20	30		CCEDRM
CC#CCS(=O)(=O)[N-]C(=O)[C@@H](C)OC[C@@H]1CCCO1	ZINC000791105812	581207752	/nfs/dbraw/zinc/20/77/52/581207752.db2.gz	DUUZYYZXCMTYBJ-MNOVXSKESA-N	-1	0	289.353	0.040	20	30		CCEDRM
CC1(C)C[C@@H](NN=Cc2cn(CC(=O)[O-])nn2)CCO1	ZINC000780250659	581223808	/nfs/dbraw/zinc/22/38/08/581223808.db2.gz	QZSIJIACOBUFPC-VIFPVBQESA-N	-1	0	281.316	0.244	20	30		CCEDRM
COc1ccc(N=NCc2cn(CC(=O)[O-])nn2)nc1	ZINC000780268770	581223881	/nfs/dbraw/zinc/22/38/81/581223881.db2.gz	UWACUJSKZKRZHU-UHFFFAOYSA-N	-1	0	276.256	0.212	20	30		CCEDRM
C#CCOc1ccccc1CNC(=O)N[C@@H](C)C(=O)[O-]	ZINC000780574133	581234608	/nfs/dbraw/zinc/23/46/08/581234608.db2.gz	AYPJNTYFQXBPHD-JTQLQIEISA-N	-1	0	276.292	0.971	20	30		CCEDRM
C=CCOCCCC(=O)[N-]S(=O)(=O)[C@@H]1CCCOC1	ZINC000780625261	581237316	/nfs/dbraw/zinc/23/73/16/581237316.db2.gz	YYEZIHOBPVSHTH-LLVKDONJSA-N	-1	0	291.369	0.594	20	30		CCEDRM
COCCN(CC(=O)N[C@@]1(C#N)CCSC1)C(=O)[O-]	ZINC000739820301	581240520	/nfs/dbraw/zinc/24/05/20/581240520.db2.gz	XSHDGDRQQVNURJ-LLVKDONJSA-N	-1	0	287.341	0.128	20	30		CCEDRM
C=CCC(CC=C)C(=O)[N-]S(=O)(=O)c1cnnn1C	ZINC000781738050	581276464	/nfs/dbraw/zinc/27/64/64/581276464.db2.gz	LUAAHKUOBNTWIY-UHFFFAOYSA-N	-1	0	284.341	0.388	20	30		CCEDRM
CC[C@@H](NN=Cc1cc(C(N)=O)cs1)C(=O)[O-]	ZINC000793056558	581282579	/nfs/dbraw/zinc/28/25/79/581282579.db2.gz	VUBJCXNULFTIFU-MRVPVSSYSA-N	-1	0	255.299	0.634	20	30		CCEDRM
CC[C@@H](NNC1=CC(=O)N2CCCC[C@@H]12)C(=O)[O-]	ZINC000793057233	581283358	/nfs/dbraw/zinc/28/33/58/581283358.db2.gz	MZDONQIDPWAHMX-SCZZXKLOSA-N	-1	0	253.302	0.580	20	30		CCEDRM
CC[C@@H](NN=Cc1cc(C(=O)OC)ccc1O)C(=O)[O-]	ZINC000793078492	581283596	/nfs/dbraw/zinc/28/35/96/581283596.db2.gz	MVQLXCOARGJXMB-SNVBAGLBSA-N	-1	0	280.280	0.966	20	30		CCEDRM
CC[C@H](NN=C1CCC[C@H](S(C)(=O)=O)C1)C(=O)[O-]	ZINC000793073499	581283701	/nfs/dbraw/zinc/28/37/01/581283701.db2.gz	WLCWESJXFDFQSU-UWVGGRQHSA-N	-1	0	276.358	0.782	20	30		CCEDRM
CC[C@@H](NN=Cc1ccnn1CCCOC)C(=O)[O-]	ZINC000793073295	581283733	/nfs/dbraw/zinc/28/37/33/581283733.db2.gz	RSDAZFKSXNVHAA-LLVKDONJSA-N	-1	0	268.317	0.706	20	30		CCEDRM
CNC(=O)C(C#N)=C([O-])c1cnc(OCC2CC2)cn1	ZINC000793124585	581284861	/nfs/dbraw/zinc/28/48/61/581284861.db2.gz	LTDLDSDBHPSAPW-VIFPVBQESA-N	-1	0	274.280	0.334	20	30		CCEDRM
COC1(CC(=O)[N-]S(=O)(=O)CC2(C#N)CC2)CCC1	ZINC000793195085	581287765	/nfs/dbraw/zinc/28/77/65/581287765.db2.gz	GEOCNRKYVWBWLN-UHFFFAOYSA-N	-1	0	286.353	0.695	20	30		CCEDRM
CC[C@@H](C)[C@H](OC)C(=O)[N-]S(=O)(=O)CC1(C#N)CC1	ZINC000793196010	581287813	/nfs/dbraw/zinc/28/78/13/581287813.db2.gz	FHFWGMNCHRIPJU-ZJUUUORDSA-N	-1	0	288.369	0.797	20	30		CCEDRM
C[C@H]1COCC[C@@H]1C(=O)[N-]S(=O)(=O)CC1(C#N)CC1	ZINC000793195594	581287838	/nfs/dbraw/zinc/28/78/38/581287838.db2.gz	MTPVQYYMXOUDKZ-UWVGGRQHSA-N	-1	0	286.353	0.409	20	30		CCEDRM
N#CC1(CS(=O)(=O)[N-]C(=O)CC2CCC2)CC1	ZINC000793206132	581288491	/nfs/dbraw/zinc/28/84/91/581288491.db2.gz	VWOVSYNHROGSOK-UHFFFAOYSA-N	-1	0	256.327	0.926	20	30		CCEDRM
CC1(C(=O)[N-]S(=O)(=O)Cc2cccc(C#N)c2)COC1	ZINC000782591535	581310757	/nfs/dbraw/zinc/31/07/57/581310757.db2.gz	NIQOWSAWAXIWBC-UHFFFAOYSA-N	-1	0	294.332	0.541	20	30		CCEDRM
CCn1cc(S(=O)(=O)[N-]c2cnn(CC#N)c2)cn1	ZINC000727359655	581317456	/nfs/dbraw/zinc/31/74/56/581317456.db2.gz	RIOBBWOCKIHIHM-UHFFFAOYSA-N	-1	0	280.313	0.424	20	30		CCEDRM
C#CCN(CC#CC)C(=O)[C@@H](CCC)NC(=O)[O-]	ZINC000738456995	581331062	/nfs/dbraw/zinc/33/10/62/581331062.db2.gz	ILVHRYLNDMPLJE-LLVKDONJSA-N	-1	0	250.298	0.908	20	30		CCEDRM
C#CCCNC(=O)NC[C@H]1CCCCN1C(=O)[O-]	ZINC000738457430	581331544	/nfs/dbraw/zinc/33/15/44/581331544.db2.gz	NNLVCICHEOMXFF-SNVBAGLBSA-N	-1	0	253.302	0.841	20	30		CCEDRM
C#CC(C)(C)NC(=O)CN(C[C@@H]1CCCO1)C(=O)[O-]	ZINC000738457604	581331599	/nfs/dbraw/zinc/33/15/99/581331599.db2.gz	QLRSMWZZROGYBB-JTQLQIEISA-N	-1	0	268.313	0.673	20	30		CCEDRM
C#CCNC(=O)[C@@H](C)N1CCC[C@@H](N(C)C(=O)[O-])C1	ZINC000738461148	581333760	/nfs/dbraw/zinc/33/37/60/581333760.db2.gz	OMBKLBUCKPDSND-GHMZBOCLSA-N	-1	0	267.329	0.199	20	30		CCEDRM
C#CCNC(=O)c1ccc(NCCCNC(=O)[O-])nc1	ZINC000738462818	581335307	/nfs/dbraw/zinc/33/53/07/581335307.db2.gz	BIKOFMVLRFHWDG-UHFFFAOYSA-N	-1	0	276.296	0.514	20	30		CCEDRM
C#CCSCCNC(=O)NCCN(C(=O)[O-])C1CC1	ZINC000738470682	581344042	/nfs/dbraw/zinc/34/40/42/581344042.db2.gz	RAWDHJNXUQBMND-UHFFFAOYSA-N	-1	0	285.369	0.794	20	30		CCEDRM
C=CCN(CC=C)C(=O)CN1CCN(C(=O)[O-])CC1=O	ZINC000738490719	581360436	/nfs/dbraw/zinc/36/04/36/581360436.db2.gz	XLIKYJIIASHVOI-UHFFFAOYSA-N	-1	0	281.312	0.009	20	30		CCEDRM
C=C(Cl)COC(=O)CN(CCOC)C(=O)[O-]	ZINC000738491077	581360705	/nfs/dbraw/zinc/36/07/05/581360705.db2.gz	AKFWDVQNYKXOEH-UHFFFAOYSA-N	-1	0	251.666	0.909	20	30		CCEDRM
C=CCCCOC(=O)CN1CCN(C(=O)[O-])CC1=O	ZINC000738493824	581361386	/nfs/dbraw/zinc/36/13/86/581361386.db2.gz	SFVSSDZFCWICDL-UHFFFAOYSA-N	-1	0	270.285	0.318	20	30		CCEDRM
C=CCNC(=O)NC(=O)CN1C[C@@H](C)N(C(=O)[O-])[C@H](C)C1	ZINC000738494331	581361529	/nfs/dbraw/zinc/36/15/29/581361529.db2.gz	AMZLAOOXHHZEIH-NXEZZACHSA-N	-1	0	298.343	0.071	20	30		CCEDRM
CNC(=O)C(C#N)=C([O-])c1cc2c(s1)CCOC2	ZINC000728765079	581370009	/nfs/dbraw/zinc/37/00/09/581370009.db2.gz	HBJBCYYHFXPLLC-QMMMGPOBSA-N	-1	0	264.306	0.889	20	30		CCEDRM
C=CCCOCC(=O)N1C[C@H]2COCC[C@@]2(C(=O)[O-])C1	ZINC000794764758	581387419	/nfs/dbraw/zinc/38/74/19/581387419.db2.gz	CXEBDKVHTXRVKY-SMDDNHRTSA-N	-1	0	283.324	0.529	20	30		CCEDRM
CCOC(=O)c1c[n-]c(=NN=C2C(=O)OC[C@H]2C)nc1C	ZINC000794927398	581391510	/nfs/dbraw/zinc/39/15/10/581391510.db2.gz	LNJHWWBNVVHHGQ-SSDOTTSWSA-N	-1	0	292.295	0.923	20	30		CCEDRM
CC(C)(C#N)CC(=O)[N-]S(=O)(=O)c1ncccc1F	ZINC000786521065	581443402	/nfs/dbraw/zinc/44/34/02/581443402.db2.gz	ZWZKOIKDSMPWRK-UHFFFAOYSA-N	-1	0	285.300	0.965	20	30		CCEDRM
COCCCNC(=O)C(C#N)=C([O-])c1ccnc(C#N)c1	ZINC000796628867	581446565	/nfs/dbraw/zinc/44/65/65/581446565.db2.gz	CSCLIWITNFYBLB-GFCCVEGCSA-N	-1	0	286.291	0.428	20	30		CCEDRM
N#Cc1ccc(C(=O)[N-]S(=O)(=O)C[C@@H]2CCOC2)o1	ZINC000796996830	581457320	/nfs/dbraw/zinc/45/73/20/581457320.db2.gz	QLDPAADHOUONDI-MRVPVSSYSA-N	-1	0	284.293	0.247	20	30		CCEDRM
C=CCOCCOC(=O)Cc1c(C)nc2cc[n-]n2c1=O	ZINC000797323189	581464914	/nfs/dbraw/zinc/46/49/14/581464914.db2.gz	DRVWGRAHXDQHHN-UHFFFAOYSA-N	-1	0	291.307	0.619	20	30		CCEDRM
C[C@@H]1CN(C(=O)CSCC#N)C[C@H](C)N1C(=O)[O-]	ZINC000739133789	581510058	/nfs/dbraw/zinc/51/00/58/581510058.db2.gz	IRZSSYLMROZCCM-DTORHVGOSA-N	-1	0	271.342	0.842	20	30		CCEDRM
N#Cc1ccccc1N1CCN(C(=O)[C@@H]2C[C@H]2C(=O)[O-])CC1	ZINC000739147058	581511372	/nfs/dbraw/zinc/51/13/72/581511372.db2.gz	PWWOTCVHJNXNCK-CHWSQXEVSA-N	-1	0	299.330	0.928	20	30		CCEDRM
CN(C(=O)[O-])[C@@H]1CCCN(CC(=O)NCCC#N)C1	ZINC000739581956	581574884	/nfs/dbraw/zinc/57/48/84/581574884.db2.gz	AEDWGBKJJKOXCT-SNVBAGLBSA-N	-1	0	268.317	0.090	20	30		CCEDRM
Cc1[nH]nc(C([O-])=C(C#N)C(=O)N2CCCC2)c1C	ZINC000734705414	581582267	/nfs/dbraw/zinc/58/22/67/581582267.db2.gz	DCPGKCSICFDUOR-SNVBAGLBSA-N	-1	0	260.297	0.971	20	30		CCEDRM
C=CCCO[C@@H](C)C(=O)[N-]S(=O)(=O)CCCCOC	ZINC000766966674	581590190	/nfs/dbraw/zinc/59/01/90/581590190.db2.gz	ISDCXOWROIQQPA-NSHDSACASA-N	-1	0	293.385	0.840	20	30		CCEDRM
Cc1nnc([S-])n(N=Cc2cnn3ccccc23)c1=O	ZINC000729636196	581608146	/nfs/dbraw/zinc/60/81/46/581608146.db2.gz	WTZRVZXUFLDVJJ-UHFFFAOYSA-N	-1	0	286.320	0.765	20	30		CCEDRM
COC(=O)CN(CC#N)C(=O)CCN(C(=O)[O-])C(C)C	ZINC000739760494	581611629	/nfs/dbraw/zinc/61/16/29/581611629.db2.gz	FQASFSLDJIALGF-UHFFFAOYSA-N	-1	0	285.300	0.290	20	30		CCEDRM
C=CCOCC(=O)[N-]S(=O)(=O)Cc1cccc(C#N)c1	ZINC000729897512	581618946	/nfs/dbraw/zinc/61/89/46/581618946.db2.gz	VZVSNZFYFRYUBR-UHFFFAOYSA-N	-1	0	294.332	0.707	20	30		CCEDRM
COCCN(CC(=O)NCc1cccc(C#N)c1)C(=O)[O-]	ZINC000739817906	581623494	/nfs/dbraw/zinc/62/34/94/581623494.db2.gz	IKLDBHOHSVJQCM-UHFFFAOYSA-N	-1	0	291.307	0.801	20	30		CCEDRM
CN(CC(=O)[O-])CC(=O)NCc1cccc(C#N)c1	ZINC000739631671	581628037	/nfs/dbraw/zinc/62/80/37/581628037.db2.gz	RSWNCSFKQODZRW-UHFFFAOYSA-N	-1	0	261.281	0.191	20	30		CCEDRM
N#CCOC(=O)c1cn(C2CCN(C(=O)[O-])CC2)nn1	ZINC000740305201	581662283	/nfs/dbraw/zinc/66/22/83/581662283.db2.gz	GWMMWHJQUOAPDM-UHFFFAOYSA-N	-1	0	279.256	0.273	20	30		CCEDRM
N#CCN1CCN(C(=O)[C@@H]2CCCCN2C(=O)[O-])CC1	ZINC000740305385	581662499	/nfs/dbraw/zinc/66/24/99/581662499.db2.gz	NANVUVGNMJAQPV-NSHDSACASA-N	-1	0	280.328	0.187	20	30		CCEDRM
N#CCCCS(=O)(=O)N1CC[C@@H](CNC(=O)[O-])C1	ZINC000740306654	581662868	/nfs/dbraw/zinc/66/28/68/581662868.db2.gz	IAUJZWZWUKLPIF-VIFPVBQESA-N	-1	0	275.330	0.209	20	30		CCEDRM
N#CCCCCS(=O)(=O)NC[C@H]1CCCN1C(=O)[O-]	ZINC000740308171	581663461	/nfs/dbraw/zinc/66/34/61/581663461.db2.gz	XBXXNDXZJGQLST-SNVBAGLBSA-N	-1	0	289.357	0.742	20	30		CCEDRM
N#CC1(C(=O)NCCN2CCN(C(=O)[O-])CC2)CCC1	ZINC000740309396	581663902	/nfs/dbraw/zinc/66/39/02/581663902.db2.gz	GTLJGTYQJLDUHV-UHFFFAOYSA-N	-1	0	280.328	0.092	20	30		CCEDRM
N#Cc1cnn(C(=O)c2csc(CNC(=O)[O-])n2)c1N	ZINC000740325942	581666827	/nfs/dbraw/zinc/66/68/27/581666827.db2.gz	ZWDLZVFUXROYLL-UHFFFAOYSA-N	-1	0	292.280	0.250	20	30		CCEDRM
C#CCNC(=O)c1ccccc1NC(=O)CCNC(=O)[O-]	ZINC000736075759	581694575	/nfs/dbraw/zinc/69/45/75/581694575.db2.gz	GQCFNLWYJNTOQF-UHFFFAOYSA-N	-1	0	289.291	0.646	20	30		CCEDRM
C#CCCN1CCN(C(=O)CCCNC(=O)[O-])CC1	ZINC000736076511	581694783	/nfs/dbraw/zinc/69/47/83/581694783.db2.gz	IEAHCQXYSYBANR-UHFFFAOYSA-N	-1	0	267.329	0.202	20	30		CCEDRM
C[C@H](C#N)CN(C)C(=O)N[C@H]1CCCN(C(=O)[O-])C1	ZINC000736200338	581714269	/nfs/dbraw/zinc/71/42/69/581714269.db2.gz	BSCDPOYWTFCTBJ-ZJUUUORDSA-N	-1	0	268.317	0.930	20	30		CCEDRM
C[C@H](C#N)C(=O)NCc1cccc(OCC(=O)[O-])c1	ZINC000736203529	581714362	/nfs/dbraw/zinc/71/43/62/581714362.db2.gz	TWRBVGJZIBYICX-SECBINFHSA-N	-1	0	262.265	0.926	20	30		CCEDRM
C=CCCO[C@H](C)C(=O)[N-]S(=O)(=O)C[C@@H]1CCOC1	ZINC000762138931	581724408	/nfs/dbraw/zinc/72/44/08/581724408.db2.gz	MGGIRLSLPYNFQJ-GHMZBOCLSA-N	-1	0	291.369	0.450	20	30		CCEDRM
CC(C)[C@@H](NC(=O)[O-])C(=O)N1CCO[C@@H](C#N)C1	ZINC000736365218	581752253	/nfs/dbraw/zinc/75/22/53/581752253.db2.gz	QKFCGMSCOUFKMD-DTWKUNHWSA-N	-1	0	255.274	0.030	20	30		CCEDRM
O=C([O-])COc1cccc(C=NN2CN=NC2=O)c1	ZINC000770615989	581756376	/nfs/dbraw/zinc/75/63/76/581756376.db2.gz	VCZTXLKAOLDORA-UHFFFAOYSA-N	-1	0	262.225	0.329	20	30		CCEDRM
CC(C)C[C@@H](NC(=O)COC(=O)C1(C#N)CCC1)C(=O)[O-]	ZINC000736415821	581761218	/nfs/dbraw/zinc/76/12/18/581761218.db2.gz	PTAKEIPNHDCSMF-SNVBAGLBSA-N	-1	0	296.323	0.839	20	30		CCEDRM
CC(C)c1cc(C(=O)N(CC#N)CC(=O)[O-])on1	ZINC000736510333	581782231	/nfs/dbraw/zinc/78/22/31/581782231.db2.gz	SRGWYASPYDLQNV-UHFFFAOYSA-N	-1	0	251.242	0.848	20	30		CCEDRM
CC(C)c1ocnc1C(=O)N(CC#N)CC(=O)[O-]	ZINC000736530782	581784127	/nfs/dbraw/zinc/78/41/27/581784127.db2.gz	ODZUFUQKXADEER-UHFFFAOYSA-N	-1	0	251.242	0.848	20	30		CCEDRM
CO[C@H](C)CCC(=O)[N-]S(=O)(=O)CC1(C#N)CCC1	ZINC000771075245	581789829	/nfs/dbraw/zinc/78/98/29/581789829.db2.gz	YRCVUOJLYHPADC-SNVBAGLBSA-N	-1	0	288.369	0.941	20	30		CCEDRM
CC(=NNC(=S)NCC(N)=O)c1ccc(C(=O)[O-])cc1	ZINC000731929891	581794116	/nfs/dbraw/zinc/79/41/16/581794116.db2.gz	MQFHVXFWZRVHHH-UHFFFAOYSA-N	-1	0	294.336	0.058	20	30		CCEDRM
C[C@H](CN(C1CC1)S(=O)(=O)N(C)CCC#N)C(=O)[O-]	ZINC000736576519	581796603	/nfs/dbraw/zinc/79/66/03/581796603.db2.gz	APJFNQCAJVNAEF-SECBINFHSA-N	-1	0	289.357	0.262	20	30		CCEDRM
CCc1nn(C)cc1C([O-])=C(C#N)C(=O)NCCCOC	ZINC000771258667	581797791	/nfs/dbraw/zinc/79/77/91/581797791.db2.gz	LUJSQWNMMZAWAN-JTQLQIEISA-N	-1	0	292.339	0.458	20	30		CCEDRM
NC(=O)CON=Cc1[nH]nc2cc(C(=O)[O-])ccc12	ZINC000771572135	581809112	/nfs/dbraw/zinc/80/91/12/581809112.db2.gz	PCFAAZPBHVSMOB-UHFFFAOYSA-N	-1	0	262.225	0.097	20	30		CCEDRM
CC(C)[C@](C)(C#N)NC(=O)[C@H](C)OC(=O)[C@@H]1C[C@H]1C(=O)[O-]	ZINC000736682066	581817143	/nfs/dbraw/zinc/81/71/43/581817143.db2.gz	CWRXOEUNBIZFTO-KSQLKPTDSA-N	-1	0	296.323	0.693	20	30		CCEDRM
CC(C)[C@@](C)(C#N)NC(=O)[C@H](C)OC(=O)[C@@H]1C[C@H]1C(=O)[O-]	ZINC000736682064	581817336	/nfs/dbraw/zinc/81/73/36/581817336.db2.gz	CWRXOEUNBIZFTO-HGUJLJSRSA-N	-1	0	296.323	0.693	20	30		CCEDRM
C#Cc1cccc(-n2c([O-])c(C(=O)OCC)[nH]c2=O)c1	ZINC000771841849	581829444	/nfs/dbraw/zinc/82/94/44/581829444.db2.gz	KIVYFDNEHALHHA-NSHDSACASA-N	-1	0	272.260	0.656	20	30		CCEDRM
COCCS(=O)(=O)[N-]C(=O)COc1ccccc1C#N	ZINC000732523448	581833246	/nfs/dbraw/zinc/83/32/46/581833246.db2.gz	ZXIVVODEMOOIEU-UHFFFAOYSA-N	-1	0	298.320	0.029	20	30		CCEDRM
CCOC(=O)c1cnc(C)c(C([O-])=C(C#N)C(=O)NC)c1	ZINC000760182400	581848280	/nfs/dbraw/zinc/84/82/80/581848280.db2.gz	GSQYXTXQZTZSSN-NSHDSACASA-N	-1	0	289.291	0.635	20	30		CCEDRM
N#CC(C(=O)N1CCCC1)=C([O-])c1cnc2nccnc2c1	ZINC000760198685	581848663	/nfs/dbraw/zinc/84/86/63/581848663.db2.gz	YYADTWVKELUTFF-NSHDSACASA-N	-1	0	295.302	0.970	20	30		CCEDRM
C=CCS(=O)(=O)[N-]C(=O)c1cnn(C)c1CC	ZINC000772715495	581885595	/nfs/dbraw/zinc/88/55/95/581885595.db2.gz	OBJQLURYIVSTGO-UHFFFAOYSA-N	-1	0	257.315	0.228	20	30		CCEDRM
CCCN(CC(=O)[O-])CC(=O)NCc1cccc(C#N)c1	ZINC000737013212	581885911	/nfs/dbraw/zinc/88/59/11/581885911.db2.gz	DIAKUOXKFGMOQE-UHFFFAOYSA-N	-1	0	289.335	0.971	20	30		CCEDRM
CCCN(CC(=O)[O-])CC(=O)N[C@](C)(C#N)C(C)C	ZINC000737013262	581885960	/nfs/dbraw/zinc/88/59/60/581885960.db2.gz	QOVHAYAXCVBOKY-CYBMUJFWSA-N	-1	0	269.345	0.837	20	30		CCEDRM
N#Cc1ccc(S(=O)(=O)[N-]C(=O)c2cncnc2)cc1	ZINC000761102361	581888603	/nfs/dbraw/zinc/88/86/03/581888603.db2.gz	YNPBDUZBSWKZRW-UHFFFAOYSA-N	-1	0	288.288	0.467	20	30		CCEDRM
CN1CCC(=Nn2c(C(F)(F)F)n[n-]c2=S)C1=O	ZINC000761750937	581919700	/nfs/dbraw/zinc/91/97/00/581919700.db2.gz	ZEWQEQJWDSZNTP-UHFFFAOYSA-N	-1	0	279.247	0.652	20	30		CCEDRM
CCOCCO[N-]C(=O)C(=O)Nc1ccc(C#N)cc1	ZINC000773632691	581936897	/nfs/dbraw/zinc/93/68/97/581936897.db2.gz	CXMFKMHGIPDYCG-UHFFFAOYSA-N	-1	0	277.280	0.581	20	30		CCEDRM
CC#CC[C@@H]([N-]S(=O)(=O)[C@@H](C)C(F)(F)F)C(=O)[O-]	ZINC000275072873	581937345	/nfs/dbraw/zinc/93/73/45/581937345.db2.gz	WYTLSBHVDCBBIL-NKWVEPMBSA-N	-1	0	287.259	0.723	20	30		CCEDRM
C#CCCCCC(=O)[N-]S(=O)(=O)[C@@H]1CCOC1	ZINC000773778268	581941757	/nfs/dbraw/zinc/94/17/57/581941757.db2.gz	CXDMGTBZBBUUDB-SNVBAGLBSA-N	-1	0	259.327	0.415	20	30		CCEDRM
CCc1nc(C([O-])=C(C#N)C(=O)NCCCOC)co1	ZINC000773968970	581949779	/nfs/dbraw/zinc/94/97/79/581949779.db2.gz	RTVSCBLVUFUWBY-SECBINFHSA-N	-1	0	279.296	0.712	20	30		CCEDRM
CN(C)c1cc(C([O-])=C(C#N)C(=O)NC2CC2)ccn1	ZINC000773980369	581951253	/nfs/dbraw/zinc/95/12/53/581951253.db2.gz	SDRCGCHQPBGSAA-NSHDSACASA-N	-1	0	272.308	0.749	20	30		CCEDRM
CN(CC(=O)NCc1cccc(C#N)c1)C(C)(C)C(=O)[O-]	ZINC000737394100	581951999	/nfs/dbraw/zinc/95/19/99/581951999.db2.gz	YQQWVWUDIIBRPZ-UHFFFAOYSA-N	-1	0	289.335	0.969	20	30		CCEDRM
CN(CCCC(=O)N1CCN(C2CC2)[C@@H](C#N)C1)C(=O)[O-]	ZINC000737419381	581955941	/nfs/dbraw/zinc/95/59/41/581955941.db2.gz	XSQNJMPFNDECTO-LBPRGKRZSA-N	-1	0	294.355	0.575	20	30		CCEDRM
CN([C@@H](C(=O)[O-])c1ccc(C#N)cc1)[C@@H]1CCN(C)C1=O	ZINC000737515626	581970935	/nfs/dbraw/zinc/97/09/35/581970935.db2.gz	YWSXXDKFXUXZMB-CHWSQXEVSA-N	-1	0	287.319	0.846	20	30		CCEDRM
CS(=O)(=O)NCCC(=O)Nc1cc(C#N)ccc1[O-]	ZINC000748410371	581974093	/nfs/dbraw/zinc/97/40/93/581974093.db2.gz	JBORWSIUKOXLBS-UHFFFAOYSA-N	-1	0	283.309	0.142	20	30		CCEDRM
COC(=O)CN(CC(=O)[O-])C(=O)c1cccc(C#N)c1	ZINC000737608331	581990412	/nfs/dbraw/zinc/99/04/12/581990412.db2.gz	BIRPIZONYTTZBX-UHFFFAOYSA-N	-1	0	276.248	0.258	20	30		CCEDRM
COC(=O)CN(CCOc1ccccc1C#N)CC(=O)[O-]	ZINC000737619204	581992622	/nfs/dbraw/zinc/99/26/22/581992622.db2.gz	CIEWRJZJXISZSD-UHFFFAOYSA-N	-1	0	292.291	0.497	20	30		CCEDRM
CON=Cc1ccc(C(=O)N2CCO[C@@H](C(=O)[O-])C2)cc1	ZINC000737839793	582002198	/nfs/dbraw/zinc/00/21/98/582002198.db2.gz	NJTHLUMVYUVJGR-GFCCVEGCSA-N	-1	0	292.291	0.593	20	30		CCEDRM
Cn1c(=O)c2ccc(C(=O)NCC#N)cc2[n-]c1=S	ZINC000749609215	582015223	/nfs/dbraw/zinc/01/52/23/582015223.db2.gz	WTXBQBXQDCIEHD-UHFFFAOYSA-N	-1	0	274.305	0.476	20	30		CCEDRM
CC(C)S(=O)(=O)NN=Cc1ccc([O-])c([N+](=O)[O-])c1	ZINC000749748870	582021303	/nfs/dbraw/zinc/02/13/03/582021303.db2.gz	RCDLTWNBUCNGTM-UHFFFAOYSA-N	-1	0	287.297	0.962	20	30		CCEDRM
Cc1c(C(=O)N(CC#N)CC(=O)[O-])[nH]c2c1C(=O)CCC2	ZINC000738258893	582032165	/nfs/dbraw/zinc/03/21/65/582032165.db2.gz	VIWNILCJSJWEPQ-UHFFFAOYSA-N	-1	0	289.291	0.893	20	30		CCEDRM
C#C[C@H](NCc1cc(=O)n2[n-]ccc2n1)[C@@H]1CCCO1	ZINC000775790241	582038194	/nfs/dbraw/zinc/03/81/94/582038194.db2.gz	HILAGYDGWHYLBR-RYUDHWBXSA-N	-1	0	272.308	0.293	20	30		CCEDRM
C=CCCC[C@@H](C)NC(=O)Cn1[n-]cc2c(=O)ncnc1-2	ZINC000776016408	582049367	/nfs/dbraw/zinc/04/93/67/582049367.db2.gz	QWCOZMGNTGCCSP-SNVBAGLBSA-N	-1	0	289.339	0.932	20	30		CCEDRM
N#CCCCS(=O)(=O)[N-]C(=O)CC1CCOCC1	ZINC000776119169	582052227	/nfs/dbraw/zinc/05/22/27/582052227.db2.gz	GLHGWQZLRXHBOV-UHFFFAOYSA-N	-1	0	274.342	0.553	20	30		CCEDRM
C#CCCN1CCN(C(=O)CC(C)(C)NC(=O)[O-])CC1	ZINC000738457617	582052572	/nfs/dbraw/zinc/05/25/72/582052572.db2.gz	QZNKEXQUZROPIW-UHFFFAOYSA-N	-1	0	281.356	0.590	20	30		CCEDRM
C=CCCO[C@@H](C)C(=O)[N-]S(=O)(=O)CC(C)(C)C#N	ZINC000776140823	582054062	/nfs/dbraw/zinc/05/40/62/582054062.db2.gz	MSBBLNFWGODHLD-JTQLQIEISA-N	-1	0	288.369	0.963	20	30		CCEDRM
CS/C=C\C(=O)[N-]S(=O)(=O)CC(C)(C)C#N	ZINC000776139938	582054082	/nfs/dbraw/zinc/05/40/82/582054082.db2.gz	XNZSBDAJNCHSAD-PLNGDYQASA-N	-1	0	262.356	0.859	20	30		CCEDRM
Cc1ccc(C(=O)[N-]S(=O)(=O)CC(C)(C)C#N)nc1	ZINC000776146968	582055218	/nfs/dbraw/zinc/05/52/18/582055218.db2.gz	STXJPCALBJKFPA-UHFFFAOYSA-N	-1	0	281.337	0.999	20	30		CCEDRM
C=CCOCC(=O)NC[C@H]1[C@@H](C)OC(C)(C)N1C(=O)[O-]	ZINC000738491957	582056167	/nfs/dbraw/zinc/05/61/67/582056167.db2.gz	QJCHEWKOADDNRJ-ZJUUUORDSA-N	-1	0	286.328	0.809	20	30		CCEDRM
CS(=O)(=O)NN=Cc1cc([O-])ccc1[N+](=O)[O-]	ZINC000764701697	582063030	/nfs/dbraw/zinc/06/30/30/582063030.db2.gz	QGEZETVBEOMZNQ-UHFFFAOYSA-N	-1	0	259.243	0.184	20	30		CCEDRM
C[C@@H](C#N)CNC(=O)C(C)(C)N1CCN(C(=O)[O-])CC1	ZINC000738597423	582065177	/nfs/dbraw/zinc/06/51/77/582065177.db2.gz	SCGDWXOFEQDOLW-JTQLQIEISA-N	-1	0	282.344	0.336	20	30		CCEDRM
C[C@@H](C(=O)N(C)CCC#N)N1CCC[C@H](N(C)C(=O)[O-])C1	ZINC000738605451	582065784	/nfs/dbraw/zinc/06/57/84/582065784.db2.gz	VSEIGVPFSFKZOU-RYUDHWBXSA-N	-1	0	296.371	0.821	20	30		CCEDRM
CCS(=O)(=O)CCNC(=O)c1cc(O)cc(C#N)c1	ZINC000776343795	582069950	/nfs/dbraw/zinc/06/99/50/582069950.db2.gz	IWXSHHQKHWDALW-UHFFFAOYSA-N	-1	0	282.321	0.428	20	30		CCEDRM
Cc1nc(C)c(CCC(=O)N(CC#N)CC(=O)[O-])c(=O)[nH]1	ZINC000738848336	582082618	/nfs/dbraw/zinc/08/26/18/582082618.db2.gz	SUIIYMMFLBPRBE-UHFFFAOYSA-N	-1	0	292.295	0.168	20	30		CCEDRM
C[C@@H](CCNS(=O)(=O)CCCCC#N)C(=O)[O-]	ZINC000776589642	582082852	/nfs/dbraw/zinc/08/28/52/582082852.db2.gz	OGRJVIYMIHUWKL-VIFPVBQESA-N	-1	0	262.331	0.710	20	30		CCEDRM
CC[C@H](C)C[C@H](NS(=O)(=O)N(C)CCC#N)C(=O)[O-]	ZINC000776615442	582085167	/nfs/dbraw/zinc/08/51/67/582085167.db2.gz	LXJIYAINHXDLCW-UWVGGRQHSA-N	-1	0	291.373	0.556	20	30		CCEDRM
C[C@H](CNC(=O)[O-])N(C)CC(=O)N[C@](C)(C#N)C1CC1	ZINC000738941780	582092244	/nfs/dbraw/zinc/09/22/44/582092244.db2.gz	UTTOJIYYQQNPFF-NOZJJQNGSA-N	-1	0	282.344	0.383	20	30		CCEDRM
C[C@@H](OC(=O)[C@@H]1CCN(C(=O)[O-])C1)C(=O)N(C)CCC#N	ZINC000739045476	582099336	/nfs/dbraw/zinc/09/93/36/582099336.db2.gz	KWQQXIFEFULKTQ-NXEZZACHSA-N	-1	0	297.311	0.290	20	30		CCEDRM
C[C@@H](OC(=O)CC(C)(C)NC(=O)[O-])C(=O)N(C)CCC#N	ZINC000739045122	582099387	/nfs/dbraw/zinc/09/93/87/582099387.db2.gz	UMBUQTDONQQEAH-SECBINFHSA-N	-1	0	299.327	0.726	20	30		CCEDRM
N#CC1(NC(=O)Cn2cnc(C(=O)[O-])n2)CCCCC1	ZINC000739066173	582100227	/nfs/dbraw/zinc/10/02/27/582100227.db2.gz	GPTAKEUGWDYHKR-UHFFFAOYSA-N	-1	0	277.284	0.319	20	30		CCEDRM
N#CC1(NC(=O)COC(=O)CCNC(=O)[O-])CCCCC1	ZINC000739066259	582100296	/nfs/dbraw/zinc/10/02/96/582100296.db2.gz	KDCWSPLYGXELJK-UHFFFAOYSA-N	-1	0	297.311	0.530	20	30		CCEDRM
N#CCCCS(=O)(=O)N1CCSC[C@@H]1CC(=O)[O-]	ZINC000739071947	582100938	/nfs/dbraw/zinc/10/09/38/582100938.db2.gz	BGWILZQXOGVIOK-VIFPVBQESA-N	-1	0	292.382	0.512	20	30		CCEDRM
N#C[C@@H](C(=O)CCNC(=O)[O-])C(=O)NC1CCCCC1	ZINC000739074482	582101256	/nfs/dbraw/zinc/10/12/56/582101256.db2.gz	KFIMNJUWVVNMDP-JTQLQIEISA-N	-1	0	281.312	0.802	20	30		CCEDRM
N#C[C@H](C(=O)Nc1ccccn1)C(=O)[C@H]1C[C@@H]1C(=O)[O-]	ZINC000739074053	582101290	/nfs/dbraw/zinc/10/12/90/582101290.db2.gz	GQLNBJFQGYFEII-CIUDSAMLSA-N	-1	0	273.248	0.450	20	30		CCEDRM
N#CCN(CC(=O)[O-])C(=O)COc1ccccc1F	ZINC000739078441	582101401	/nfs/dbraw/zinc/10/14/01/582101401.db2.gz	HDTDOXAGWNLSJA-UHFFFAOYSA-N	-1	0	266.228	0.641	20	30		CCEDRM
N#CCN(CC(=O)[O-])C(=O)COc1cccc([N+](=O)[O-])c1	ZINC000739078306	582101506	/nfs/dbraw/zinc/10/15/06/582101506.db2.gz	DWDVMNJGCSWMEE-UHFFFAOYSA-N	-1	0	293.235	0.410	20	30		CCEDRM
N#CCN(CC(=O)[O-])C(=O)CCOC[C@@H]1CCCO1	ZINC000739077773	582101570	/nfs/dbraw/zinc/10/15/70/582101570.db2.gz	SRGLRPAHYLJLLW-JTQLQIEISA-N	-1	0	270.285	0.009	20	30		CCEDRM
N#CCN(CC(=O)[O-])S(=O)(=O)c1c[nH]c2ncccc21	ZINC000739085144	582101814	/nfs/dbraw/zinc/10/18/14/582101814.db2.gz	CPQOHXZOZRSJSW-UHFFFAOYSA-N	-1	0	294.292	0.162	20	30		CCEDRM
COc1cccc(C([O-])=C(C#N)C(=O)NC2CC2)n1	ZINC000752161788	582101987	/nfs/dbraw/zinc/10/19/87/582101987.db2.gz	VTPLRPBQHYOCOG-SECBINFHSA-N	-1	0	259.265	0.691	20	30		CCEDRM
N#CCOc1ccc(CC(=O)N(CC#N)CC(=O)[O-])cc1	ZINC000739087312	582102160	/nfs/dbraw/zinc/10/21/60/582102160.db2.gz	HLKCJDYADCNXNZ-UHFFFAOYSA-N	-1	0	287.275	0.568	20	30		CCEDRM
N#Cc1ccc([C@H](OC(=O)[C@@H]2C[C@H]2C(=O)[O-])C(N)=O)cc1	ZINC000739110607	582103044	/nfs/dbraw/zinc/10/30/44/582103044.db2.gz	RPXMZJYYJADNBD-MXWKQRLJSA-N	-1	0	288.259	0.349	20	30		CCEDRM
O=C([O-])Cn1cc(C=NNCc2cc(F)ccc2F)nn1	ZINC000768483640	582107247	/nfs/dbraw/zinc/10/72/47/582107247.db2.gz	QCOLCTXITHRBSG-UHFFFAOYSA-N	-1	0	295.249	0.765	20	30		CCEDRM
O=C([O-])Cn1cc(CN=Nc2ccc(F)cn2)nn1	ZINC000768484913	582107322	/nfs/dbraw/zinc/10/73/22/582107322.db2.gz	MBVXWVKXRGRGLH-UHFFFAOYSA-N	-1	0	264.220	0.343	20	30		CCEDRM
N#CCCCS(=O)(=O)N[C@@]1(C(=O)[O-])CCSC1	ZINC000833760429	604703185	/nfs/dbraw/zinc/70/31/85/604703185.db2.gz	RPVJEXCFRRUMJP-VIFPVBQESA-N	-1	0	278.355	0.170	20	30		CCEDRM
C#CCCCNC(=O)N(C)[C@H](COCC)C(=O)[O-]	ZINC000909028765	612981321	/nfs/dbraw/zinc/98/13/21/612981321.db2.gz	VZMUNFSZYQKRSK-SNVBAGLBSA-N	-1	0	256.302	0.531	20	30		CCEDRM
COCCC(C)(C)C(=O)[N-]S(=O)(=O)CCCC#N	ZINC000810657192	616831819	/nfs/dbraw/zinc/83/18/19/616831819.db2.gz	TYVQZQFZSCFVMH-UHFFFAOYSA-N	-1	0	276.358	0.799	20	30		CCEDRM
N#CCCn1ncc2c1ncnc2N1CC[C@H](C(=O)[O-])C1	ZINC000819091207	596902915	/nfs/dbraw/zinc/90/29/15/596902915.db2.gz	SMQDLNLQFKNGER-VIFPVBQESA-N	-1	0	286.295	0.651	20	30		CCEDRM
C=CCCOCCNC(=O)N1CC[C@@H](C(=O)[O-])C1	ZINC000231836552	597415097	/nfs/dbraw/zinc/41/50/97/597415097.db2.gz	VLFGHJGVGTZUHR-SNVBAGLBSA-N	-1	0	256.302	0.695	20	30		CCEDRM
C#CCCCS(=O)(=O)[N-]c1nnn(C(C)C)n1	ZINC000886422490	612985690	/nfs/dbraw/zinc/98/56/90/612985690.db2.gz	QBLTZGYWTQUIJO-UHFFFAOYSA-N	-1	0	257.319	0.409	20	30		CCEDRM
N#Cc1ccc(F)c(CN2CCO[C@@H](C(=O)[O-])C2)c1	ZINC000043704497	599970967	/nfs/dbraw/zinc/97/09/67/599970967.db2.gz	IMLZUQLAKONLCA-GFCCVEGCSA-N	-1	0	264.256	0.983	20	30		CCEDRM
C[C@](C#N)(CC(=O)[O-])C(=O)N[C@@H]1CCO[C@]2(CCOC2)C1	ZINC000819833502	597607043	/nfs/dbraw/zinc/60/70/43/597607043.db2.gz	HKTQUAKMCBANHX-LERXQTSPSA-N	-1	0	296.323	0.445	20	30		CCEDRM
C[C@H](C#N)Oc1ccccc1NC(=O)C(=O)NCC(=O)[O-]	ZINC000819875178	597611114	/nfs/dbraw/zinc/61/11/14/597611114.db2.gz	VFQIEVYFNQRUOE-MRVPVSSYSA-N	-1	0	291.263	0.117	20	30		CCEDRM
C[C@@](C#N)(CC(=O)[O-])C(=O)OCCn1cccn1	ZINC000819873830	597611793	/nfs/dbraw/zinc/61/17/93/597611793.db2.gz	DLZCTINWCFGFDN-NSHDSACASA-N	-1	0	251.242	0.431	20	30		CCEDRM
Cn1cc(CCCOC(=O)[C@@](C)(C#N)CC(=O)[O-])cn1	ZINC000821287821	597616652	/nfs/dbraw/zinc/61/66/52/597616652.db2.gz	UVOWPHLCGUMRGS-CYBMUJFWSA-N	-1	0	279.296	0.900	20	30		CCEDRM
C[C@@](C#N)(CC(=O)[O-])C(=O)OCC(=O)N1CCCCC1	ZINC000819864894	597625604	/nfs/dbraw/zinc/62/56/04/597625604.db2.gz	FQBPHYWYWNPLJG-ZDUSSCGKSA-N	-1	0	282.296	0.547	20	30		CCEDRM
C[C@@H]1CN(C(=O)[C@](C)(C#N)CC(=O)[O-])C[C@@H](C)O1	ZINC000820244551	597628851	/nfs/dbraw/zinc/62/88/51/597628851.db2.gz	DYVLCDOVUWUEAV-LNLATYFQSA-N	-1	0	254.286	0.627	20	30		CCEDRM
C[C@@](C#N)(CC(=O)[O-])C(=O)NC[C@H](O)c1ccsc1	ZINC000819835955	597648108	/nfs/dbraw/zinc/64/81/08/597648108.db2.gz	YVFSZMOMILNHLF-CABZTGNLSA-N	-1	0	282.321	0.902	20	30		CCEDRM
C[C@](C#N)(CC(=O)[O-])C(=O)N1CCC(CO)CC1	ZINC000819811257	597659365	/nfs/dbraw/zinc/65/93/65/597659365.db2.gz	MMQSRMLJJUIOOJ-GFCCVEGCSA-N	-1	0	254.286	0.222	20	30		CCEDRM
N#Cc1ccc([C@@H](O)C(=O)NCCCC(=O)[O-])cc1	ZINC000821330278	597669057	/nfs/dbraw/zinc/66/90/57/597669057.db2.gz	YWBBVIWWJOLCMI-GFCCVEGCSA-N	-1	0	262.265	0.573	20	30		CCEDRM
C[C@@](C#N)(CC(=O)[O-])C(=O)NN1Cc2ccccc2C1=O	ZINC000819846397	597716506	/nfs/dbraw/zinc/71/65/06/597716506.db2.gz	CGSHMXVLHSDTDN-AWEZNQCLSA-N	-1	0	287.275	0.678	20	30		CCEDRM
O=C([O-])CCNN=Cc1cnc(N2CCOCC2)s1	ZINC000821524954	597742068	/nfs/dbraw/zinc/74/20/68/597742068.db2.gz	UCUAHKURDXLBFD-UHFFFAOYSA-N	-1	0	284.341	0.378	20	30		CCEDRM
O=C([O-])CNC(=O)CON=Cc1ccc(Cl)cc1	ZINC000821531806	597760469	/nfs/dbraw/zinc/76/04/69/597760469.db2.gz	AHPQFSZSPNLWQA-UHFFFAOYSA-N	-1	0	270.672	0.891	20	30		CCEDRM
C[C@@](C#N)(CC(=O)[O-])C(=O)N1CCN2CCCC[C@H]2C1	ZINC000819821023	598225397	/nfs/dbraw/zinc/22/53/97/598225397.db2.gz	CBKUHCVQOPLGON-FZMZJTMJSA-N	-1	0	279.340	0.688	20	30		CCEDRM
C[C@@](C#N)(CC(=O)[O-])C(=O)OCC(=O)N1CCCC1	ZINC000819865350	598226737	/nfs/dbraw/zinc/22/67/37/598226737.db2.gz	KOGLRBAJPFUYMO-LBPRGKRZSA-N	-1	0	268.269	0.157	20	30		CCEDRM
C[C@](C#N)(CC(=O)[O-])C(=O)NCc1nc(C2CC2)no1	ZINC000819846761	598228613	/nfs/dbraw/zinc/22/86/13/598228613.db2.gz	GKENRGAINDKZGU-GFCCVEGCSA-N	-1	0	278.268	0.568	20	30		CCEDRM
C[C@@](C#N)(CC(=O)[O-])C(=O)Nc1ccc(C(N)=O)cc1F	ZINC000819847486	598229166	/nfs/dbraw/zinc/22/91/66/598229166.db2.gz	MXESBWVYQAJGKO-ZDUSSCGKSA-N	-1	0	293.254	0.868	20	30		CCEDRM
Cc1nn(C)c(C)c1CNC(=O)[C@@](C)(C#N)CC(=O)[O-]	ZINC000821209313	598229180	/nfs/dbraw/zinc/22/91/80/598229180.db2.gz	SNEFRXFKGGXVJS-CYBMUJFWSA-N	-1	0	278.312	0.658	20	30		CCEDRM
C[C@H](C[C@@H]1CCOC1)NC(=O)[C@@](C)(C#N)CC(=O)[O-]	ZINC000820088487	598230244	/nfs/dbraw/zinc/23/02/44/598230244.db2.gz	AIXGGFSJCALNNQ-GBIKHYSHSA-N	-1	0	268.313	0.922	20	30		CCEDRM
C#CCO[C@@H](C)C(=O)NCC1(C(=O)[O-])CCCC1	ZINC000909277150	612995991	/nfs/dbraw/zinc/99/59/91/612995991.db2.gz	ZNVOKGGSLRQZCJ-JTQLQIEISA-N	-1	0	253.298	0.786	20	30		CCEDRM
C#CCO[C@@H](C)C(=O)N[C@H](C(=O)[O-])c1cccnc1	ZINC000910992047	612997310	/nfs/dbraw/zinc/99/73/10/612997310.db2.gz	MUYGQGYLGUUJIU-ONGXEEELSA-N	-1	0	262.265	0.362	20	30		CCEDRM
C#CC(C)(C)NC(=O)c1cc(=O)n(-c2nc(C)cc(C)n2)[n-]1	ZINC000900702481	612946007	/nfs/dbraw/zinc/94/60/07/612946007.db2.gz	CMNMLUDAKFLGEC-UHFFFAOYSA-N	-1	0	299.334	0.714	20	30		CCEDRM
N#Cc1cc(F)ccc1CN1CCNC(=O)[C@@H]1CC(=O)[O-]	ZINC000071246343	599961942	/nfs/dbraw/zinc/96/19/42/599961942.db2.gz	OCSIXXNKIRCYRK-LBPRGKRZSA-N	-1	0	291.282	0.472	20	30		CCEDRM
N#C[C@H]1CN(C(=O)NCCCCCCC(=O)[O-])CCO1	ZINC000093937032	599996874	/nfs/dbraw/zinc/99/68/74/599996874.db2.gz	JMCVVKYDWHUGLP-NSHDSACASA-N	-1	0	283.328	0.955	20	30		CCEDRM
C#CCNC(=O)NC[C@H](NC(=O)[O-])c1ccccc1	ZINC000823455892	612946837	/nfs/dbraw/zinc/94/68/37/612946837.db2.gz	HTNVIOJUKCUVLF-NSHDSACASA-N	-1	0	261.281	0.928	20	30		CCEDRM
C#CCSCCNC(=O)c1ccc(C(=O)[O-])cn1	ZINC000231965209	600552419	/nfs/dbraw/zinc/55/24/19/600552419.db2.gz	QFVWHFDTARPTID-UHFFFAOYSA-N	-1	0	264.306	0.876	20	30		CCEDRM
C[C@H](OC(=O)C(C)(C)NC(=O)[O-])C(=O)N(C)CCC#N	ZINC000827802062	600661079	/nfs/dbraw/zinc/66/10/79/600661079.db2.gz	BPQBBFWCERGKKE-QMMMGPOBSA-N	-1	0	285.300	0.336	20	30		CCEDRM
N#CCSCC(=O)N1CCSC[C@H]1CC(=O)[O-]	ZINC000091129648	600670290	/nfs/dbraw/zinc/67/02/90/600670290.db2.gz	VNFJJJNYXQKVQG-MRVPVSSYSA-N	-1	0	274.367	0.662	20	30		CCEDRM
C[C@H](C#N)CNS(=O)(=O)Cc1ccc(C(=O)[O-])cc1	ZINC000054156512	600989545	/nfs/dbraw/zinc/98/95/45/600989545.db2.gz	FTVXDONIHKDNJO-SECBINFHSA-N	-1	0	282.321	0.964	20	30		CCEDRM
N#CCN(CC(=O)[O-])CC(=O)Nc1ccc(F)c(F)c1	ZINC000833066572	601002706	/nfs/dbraw/zinc/00/27/06/601002706.db2.gz	CSLGETSESKFYGZ-UHFFFAOYSA-N	-1	0	283.234	0.813	20	30		CCEDRM
N#CCN(CC(=O)[O-])Cc1nc2ccccc2c(=O)[nH]1	ZINC000833067601	601005352	/nfs/dbraw/zinc/00/53/52/601005352.db2.gz	WKMGQSQPMJVHQH-UHFFFAOYSA-N	-1	0	272.264	0.746	20	30		CCEDRM
N#Cc1ccc(OCCNC(=O)[C@@H]2C[C@@H]2C(=O)[O-])cc1	ZINC000739128387	601030951	/nfs/dbraw/zinc/03/09/51/601030951.db2.gz	BPENZWRKFZNTTE-NEPJUHHUSA-N	-1	0	274.276	0.774	20	30		CCEDRM
CC(C)c1cc(C(=O)N(CC#N)CC(=O)[O-])nn1C	ZINC000827101886	601059107	/nfs/dbraw/zinc/05/91/07/601059107.db2.gz	KKPCHVSNJIDOMG-UHFFFAOYSA-N	-1	0	264.285	0.594	20	30		CCEDRM
Cc1n[nH]c(C)c1CC(=O)N(CC#N)CC(=O)[O-]	ZINC000832990174	601241630	/nfs/dbraw/zinc/24/16/30/601241630.db2.gz	OKTWNJOMNHBOMC-UHFFFAOYSA-N	-1	0	250.258	0.006	20	30		CCEDRM
C#Cc1cccc(N(C)C(=O)Cn2cc(C(=O)[O-])nn2)c1	ZINC000825636981	601281550	/nfs/dbraw/zinc/28/15/50/601281550.db2.gz	ZABFPMWFTDIWHD-UHFFFAOYSA-N	-1	0	284.275	0.621	20	30		CCEDRM
Cn1cc(NC(=O)C2(C#N)CCOCC2)cc1C(=O)[O-]	ZINC000833046609	601313294	/nfs/dbraw/zinc/31/32/94/601313294.db2.gz	YWWAOWMVZQXXNW-UHFFFAOYSA-N	-1	0	277.280	0.982	20	30		CCEDRM
N#CCN(CC(=O)[O-])Cc1ccc(-n2ccnc2)nc1	ZINC000833067178	601421392	/nfs/dbraw/zinc/42/13/92/601421392.db2.gz	QMRHCMYIBCNVTI-UHFFFAOYSA-N	-1	0	271.280	0.677	20	30		CCEDRM
N#Cc1c[nH]c(C(=O)OCc2noc(CCC(=O)[O-])n2)c1	ZINC000833067474	601430780	/nfs/dbraw/zinc/43/07/80/601430780.db2.gz	DRMSBYHFFQOPET-UHFFFAOYSA-N	-1	0	290.235	0.644	20	30		CCEDRM
N#CCN1CCC[C@H](CNC(=O)[C@@H]2C[C@H]2C(=O)[O-])C1	ZINC000833066836	601438912	/nfs/dbraw/zinc/43/89/12/601438912.db2.gz	JANKZCUVCUSXNH-GMTAPVOTSA-N	-1	0	265.313	0.059	20	30		CCEDRM
N#Cc1ccc([C@H](C(=O)[O-])N2C[C@H](O)C[C@H](O)C2)cc1	ZINC000833072122	601557412	/nfs/dbraw/zinc/55/74/12/601557412.db2.gz	OQWPBIIJPJJNOK-FRRDWIJNSA-N	-1	0	276.292	0.111	20	30		CCEDRM
C[C@H]1CN(S(=O)(=O)c2cccc(C#N)c2)C[C@H]1C(=O)[O-]	ZINC000251659229	601590265	/nfs/dbraw/zinc/59/02/65/601590265.db2.gz	GUIIRBMSFHBKJY-JOYOIKCWSA-N	-1	0	294.332	0.899	20	30		CCEDRM
N#CCN(CC(=O)[O-])C(=O)Cc1ccc(F)cc1F	ZINC000833066456	601680286	/nfs/dbraw/zinc/68/02/86/601680286.db2.gz	ZEVVCJIWQWVXBX-UHFFFAOYSA-N	-1	0	268.219	0.944	20	30		CCEDRM
C[C@@H]1CN(C(=O)C2(C#N)CCOCC2)C[C@@H]1C(=O)[O-]	ZINC000828318110	601709692	/nfs/dbraw/zinc/70/96/92/601709692.db2.gz	LARSPLSIIBAJBL-ZJUUUORDSA-N	-1	0	266.297	0.486	20	30		CCEDRM
N#Cc1ccc(CCC(=O)N[C@]2(C(=O)[O-])CCOC2)cc1	ZINC000833072777	601724601	/nfs/dbraw/zinc/72/46/01/601724601.db2.gz	QBPAAXBYEILGCK-OAHLLOKOSA-N	-1	0	288.303	0.851	20	30		CCEDRM
C[C@@H](CS(=O)(=O)NCc1ccc(C#N)cc1)C(=O)[O-]	ZINC000827562595	601776523	/nfs/dbraw/zinc/77/65/23/601776523.db2.gz	CAARJWKCPNCYFN-VIFPVBQESA-N	-1	0	282.321	0.698	20	30		CCEDRM
C=C[C@@H](C)NS(=O)(=O)c1cc(C(=O)[O-])n(C)c1	ZINC000159720198	601805821	/nfs/dbraw/zinc/80/58/21/601805821.db2.gz	NBAUCDPSXNSMMK-SSDOTTSWSA-N	-1	0	258.299	0.576	20	30		CCEDRM
C[C@@]1(C(=O)[O-])CCN(C(=O)c2ccc(C#N)nc2)C1	ZINC000828012753	602015474	/nfs/dbraw/zinc/01/54/74/602015474.db2.gz	MHOSCSOCUUKPEE-CYBMUJFWSA-N	-1	0	259.265	0.890	20	30		CCEDRM
Cn1cc(C#N)c(NC(=O)N2CC[C@@](C)(C(=O)[O-])C2)n1	ZINC000833041059	602019501	/nfs/dbraw/zinc/01/95/01/602019501.db2.gz	XBPMWGWLJNQWED-GFCCVEGCSA-N	-1	0	277.284	0.620	20	30		CCEDRM
CC1CC(C#N)(C(=O)N2CCO[C@@H](C(=O)[O-])C2)C1	ZINC000818085181	602026482	/nfs/dbraw/zinc/02/64/82/602026482.db2.gz	OWRQNODZEMYUFK-NBBOBHDQSA-N	-1	0	252.270	0.238	20	30		CCEDRM
CC1CC(C#N)(C(=O)Nc2ccn(CC(=O)[O-])n2)C1	ZINC000828156356	602027034	/nfs/dbraw/zinc/02/70/34/602027034.db2.gz	IPZRXBLDAGXIBB-UHFFFAOYSA-N	-1	0	262.269	0.846	20	30		CCEDRM
N#CCNS(=O)(=O)c1cc(Cl)cc(C(=O)[O-])c1	ZINC000833067976	602154180	/nfs/dbraw/zinc/15/41/80/602154180.db2.gz	LSJUODGDBVLFDW-UHFFFAOYSA-N	-1	0	274.685	0.840	20	30		CCEDRM
Cn1cc(S(=O)(=O)N[C@H](C#N)C(C)(C)C)cc1C(=O)[O-]	ZINC000833054382	602305446	/nfs/dbraw/zinc/30/54/46/602305446.db2.gz	ZZTXANSWGCFYPW-SNVBAGLBSA-N	-1	0	299.352	0.940	20	30		CCEDRM
N#C[C@H]1CN(C(=O)CN(CC2CC2)C(=O)[O-])CCO1	ZINC000831076576	602872716	/nfs/dbraw/zinc/87/27/16/602872716.db2.gz	PFIUMNRNIBVJCG-JTQLQIEISA-N	-1	0	267.285	0.127	20	30		CCEDRM
C[C@@H](CC(=O)N1CCN(C2CC2)[C@@H](C#N)C1)NC(=O)[O-]	ZINC000824592159	602918639	/nfs/dbraw/zinc/91/86/39/602918639.db2.gz	SQUAIMVQZXROHR-ONGXEEELSA-N	-1	0	280.328	0.231	20	30		CCEDRM
N#Cc1ccc(F)c(CNC(=O)CNC(=O)[O-])c1	ZINC000831132604	603021238	/nfs/dbraw/zinc/02/12/38/603021238.db2.gz	ZUPYLSALNGEACC-UHFFFAOYSA-N	-1	0	251.217	0.581	20	30		CCEDRM
CC(C)[C@@](C)(CNC(=O)[O-])NS(=O)(=O)CCCC#N	ZINC000738768154	603083261	/nfs/dbraw/zinc/08/32/61/603083261.db2.gz	BREKXVPECVSXDF-LLVKDONJSA-N	-1	0	291.373	0.892	20	30		CCEDRM
C[C@@H](C#N)CN(C)C(=O)NCC(C)(C)NC(=O)[O-]	ZINC000823646715	603451601	/nfs/dbraw/zinc/45/16/01/603451601.db2.gz	GCUUGWWAUBXOMW-QMMMGPOBSA-N	-1	0	256.306	0.834	20	30		CCEDRM
O=C([O-])Nc1ccc(C=NN2CCOCC2)cn1	ZINC000832839109	603485221	/nfs/dbraw/zinc/48/52/21/603485221.db2.gz	RBYGMGGIAUJTPW-UHFFFAOYSA-N	-1	0	250.258	0.838	20	30		CCEDRM
O=C(C#Cc1ccccc1)N[C@H]1CCN(C(=O)[O-])C1	ZINC000831265760	603490193	/nfs/dbraw/zinc/49/01/93/603490193.db2.gz	SDXIUSNOBZQVLT-LBPRGKRZSA-N	-1	0	258.277	0.907	20	30		CCEDRM
N#CCN1C(=O)N[C@]2(CCCC[C@H]2CNC(=O)[O-])C1=O	ZINC000831097216	603677355	/nfs/dbraw/zinc/67/73/55/603677355.db2.gz	FORMHIXRFROJBA-UFBFGSQYSA-N	-1	0	280.284	0.258	20	30		CCEDRM
C=CCCO[C@@H](C)C(=O)O[C@H]1CN(C(=O)[O-])CCC1=O	ZINC000823497204	603782956	/nfs/dbraw/zinc/78/29/56/603782956.db2.gz	YOUDZLNHLCBVCV-ONGXEEELSA-N	-1	0	285.296	0.832	20	30		CCEDRM
C#Cc1ccc(C(=O)O[C@@H]2CN(C(=O)[O-])CCC2=O)nc1	ZINC000823466554	603803965	/nfs/dbraw/zinc/80/39/65/603803965.db2.gz	DMKJFEGRDUSTJD-GFCCVEGCSA-N	-1	0	288.259	0.541	20	30		CCEDRM
C[C@H](C#N)CN(C)C(=O)[C@@]1(C)CCN(C(=O)[O-])C1	ZINC000823646331	603893100	/nfs/dbraw/zinc/89/31/00/603893100.db2.gz	AFKZCRMFKWCYHG-SKDRFNHKSA-N	-1	0	253.302	0.994	20	30		CCEDRM
N#C[C@@H](NC(=O)[C@@]1(F)CCN(C(=O)[O-])C1)C1CC1	ZINC000831069921	604004248	/nfs/dbraw/zinc/00/42/48/604004248.db2.gz	AADSNACPERDJSS-LDYMZIIASA-N	-1	0	255.249	0.497	20	30		CCEDRM
C#CCNC(=O)c1ccc(N2CCC[C@@H]2CC(=O)[O-])nc1	ZINC000825620143	612952256	/nfs/dbraw/zinc/95/22/56/612952256.db2.gz	XGBUUKMJUVQCIX-GFCCVEGCSA-N	-1	0	287.319	0.888	20	30		CCEDRM
N#CCSCC(=O)N1CC[C@H]2CC[C@@H](C1)N2C(=O)[O-]	ZINC000831109651	604018476	/nfs/dbraw/zinc/01/84/76/604018476.db2.gz	PTYFHMRYOKUXGK-ZJUUUORDSA-N	-1	0	283.353	0.986	20	30		CCEDRM
N#C[C@H]1CCC[C@@H]1NC(=O)[C@@H]1CCCN1C(=O)[O-]	ZINC000831076593	604029878	/nfs/dbraw/zinc/02/98/78/604029878.db2.gz	PKGCKRSEUTXIEP-UTLUCORTSA-N	-1	0	251.286	0.937	20	30		CCEDRM
N#C[C@H]1CCC[C@H]1NC(=O)[C@H]1CSCN1C(=O)[O-]	ZINC000831077192	604030100	/nfs/dbraw/zinc/03/01/00/604030100.db2.gz	XELHPJJWZORJNS-IWSPIJDZSA-N	-1	0	269.326	0.848	20	30		CCEDRM
Cc1noc(CCC(=O)N2CCN(C(=O)[O-])C[C@H]2C#N)n1	ZINC000830920914	604069020	/nfs/dbraw/zinc/06/90/20/604069020.db2.gz	PKISLHQYYAVUOB-SECBINFHSA-N	-1	0	293.283	0.025	20	30		CCEDRM
N#C[C@H]1CN(C(=O)[O-])CCN1C(=O)c1ccc2nccn2c1	ZINC000831087051	604072101	/nfs/dbraw/zinc/07/21/01/604072101.db2.gz	IVUKKMQZORYENY-NSHDSACASA-N	-1	0	299.290	0.662	20	30		CCEDRM
Cn1cc(C#N)cc1C(=O)N1CCN(C(=O)[O-])C[C@@H]1C#N	ZINC000830984348	604074274	/nfs/dbraw/zinc/07/42/74/604074274.db2.gz	DITMIMYGAPJRNN-JTQLQIEISA-N	-1	0	287.279	0.225	20	30		CCEDRM
N#C[C@H]1CN(C(=O)[O-])CCN1C(=O)C1CC(F)(F)C1	ZINC000831077319	604078608	/nfs/dbraw/zinc/07/86/08/604078608.db2.gz	ZDMAOVGPMSQLDY-QMMMGPOBSA-N	-1	0	273.239	0.746	20	30		CCEDRM
C[C@@H](OCC1CC1)C(=O)N1CCN(C(=O)[O-])C[C@@H]1C#N	ZINC000825609897	604079053	/nfs/dbraw/zinc/07/90/53/604079053.db2.gz	DRECWLXEMXANMH-KOLCDFICSA-N	-1	0	281.312	0.516	20	30		CCEDRM
N#C[C@@H]1CN(C(=O)[O-])CCN1C(=O)CC1CCOCC1	ZINC000831082371	604087391	/nfs/dbraw/zinc/08/73/91/604087391.db2.gz	LKRFSPUGGBILRF-LLVKDONJSA-N	-1	0	281.312	0.517	20	30		CCEDRM
C[C@H](CNC(=O)[O-])N(C)C(=O)Nc1nn(C)cc1C#N	ZINC000824966252	604154117	/nfs/dbraw/zinc/15/41/17/604154117.db2.gz	CEWZRDRYUVMUGI-SSDOTTSWSA-N	-1	0	280.288	0.412	20	30		CCEDRM
C[C@@H](CN(C)C(=O)[O-])C(=O)n1ncc(C#N)c1N	ZINC000824896530	604219507	/nfs/dbraw/zinc/21/95/07/604219507.db2.gz	VQEPBTOWHPDLHL-LURJTMIESA-N	-1	0	251.246	0.223	20	30		CCEDRM
N#C[C@H]1CN(C(=O)[O-])CCN1C(=O)C[C@H]1CCCCO1	ZINC000831082574	604222052	/nfs/dbraw/zinc/22/20/52/604222052.db2.gz	OBWOYRFQVLMRGB-WDEREUQCSA-N	-1	0	281.312	0.660	20	30		CCEDRM
C#CCCCNS(=O)(=O)c1cc(C(=O)[O-])oc1C	ZINC000229818720	604507233	/nfs/dbraw/zinc/50/72/33/604507233.db2.gz	UUDSMNJKZDXMMI-UHFFFAOYSA-N	-1	0	271.294	0.978	20	30		CCEDRM
N#CCc1ccnc(NC(=O)COCCNC(=O)[O-])c1	ZINC000831109578	604523939	/nfs/dbraw/zinc/52/39/39/604523939.db2.gz	NWFCPMJVHLEMAC-UHFFFAOYSA-N	-1	0	278.268	0.370	20	30		CCEDRM
N#Cc1ccc(OCC(=O)NCC(=O)[O-])c(F)c1	ZINC000821336118	604760630	/nfs/dbraw/zinc/76/06/30/604760630.db2.gz	LOBWANXQCYZLKE-UHFFFAOYSA-N	-1	0	252.201	0.277	20	30		CCEDRM
N#C[C@@H]1CN(CC(=O)Nc2cccc(C(=O)[O-])c2)CCO1	ZINC000833063297	604763103	/nfs/dbraw/zinc/76/31/03/604763103.db2.gz	VRKMCQLRRXKJCR-GFCCVEGCSA-N	-1	0	289.291	0.548	20	30		CCEDRM
C[C@@H](CC#N)N(C)C(=O)[C@@H]1CN(C(=O)[O-])CCO1	ZINC000824544499	604832434	/nfs/dbraw/zinc/83/24/34/604832434.db2.gz	QWIDKLPMGULZRD-IUCAKERBSA-N	-1	0	255.274	0.126	20	30		CCEDRM
C#CCNC(=S)NCc1cccc(-c2nn[nH]n2)c1	ZINC000823851080	612953714	/nfs/dbraw/zinc/95/37/14/612953714.db2.gz	ZCNADHOCNBCVHE-UHFFFAOYSA-N	-1	0	272.337	0.464	20	30		CCEDRM
C#CCCCCC(=O)N(CCN1CCOCC1)CC(=O)[O-]	ZINC000833362859	605010570	/nfs/dbraw/zinc/01/05/70/605010570.db2.gz	NMALXZDQLHDBIZ-UHFFFAOYSA-N	-1	0	296.367	0.425	20	30		CCEDRM
Cc1cccc(S(=O)(=O)N(CC#N)CC#N)c1C(=O)[O-]	ZINC000833753496	605023461	/nfs/dbraw/zinc/02/34/61/605023461.db2.gz	PRJBJNXVZJQRDW-UHFFFAOYSA-N	-1	0	293.304	0.731	20	30		CCEDRM
C#CCCCNS(=O)(=O)c1csnc1C(=O)[O-]	ZINC000833362471	605040890	/nfs/dbraw/zinc/04/08/90/605040890.db2.gz	UBMNZMASKWXUFF-UHFFFAOYSA-N	-1	0	274.323	0.533	20	30		CCEDRM
C=CCNC(=O)CNC(=O)Nc1cc(C(=O)[O-])ccc1F	ZINC000393823426	605237857	/nfs/dbraw/zinc/23/78/57/605237857.db2.gz	KMBXBJCPSLXXRN-UHFFFAOYSA-N	-1	0	295.270	0.948	20	30		CCEDRM
C[C@H](CN(C)C(=O)[O-])C(=O)OC1CCN(CC#N)CC1	ZINC000824891126	605269169	/nfs/dbraw/zinc/26/91/69/605269169.db2.gz	ZHBQRBVZYYEWEH-SNVBAGLBSA-N	-1	0	283.328	0.763	20	30		CCEDRM
N#CCN1CCC(OC(=O)CCCNC(=O)[O-])CC1	ZINC000831102574	605269634	/nfs/dbraw/zinc/26/96/34/605269634.db2.gz	NRGNTRKXCCEQDO-UHFFFAOYSA-N	-1	0	269.301	0.565	20	30		CCEDRM
N#CC1CCN(C(=O)CO[C@H]2CCCN(C(=O)[O-])C2)CC1	ZINC000831076355	605283782	/nfs/dbraw/zinc/28/37/82/605283782.db2.gz	KSGPHKASHALJHO-LBPRGKRZSA-N	-1	0	295.339	0.908	20	30		CCEDRM
N#CCCN(CCC#N)C(=O)c1cc(C(=O)[O-])no1	ZINC000833759949	605285771	/nfs/dbraw/zinc/28/57/71/605285771.db2.gz	AZIJABZRXZJMOQ-UHFFFAOYSA-N	-1	0	262.225	0.642	20	30		CCEDRM
C[C@H](NC(=O)[O-])[C@H]1CCN(C(=O)NCCCC#N)C1	ZINC000833814236	605418497	/nfs/dbraw/zinc/41/84/97/605418497.db2.gz	DIDIBPWNYMBCNL-UWVGGRQHSA-N	-1	0	268.317	0.978	20	30		CCEDRM
N#C[C@@H]1CN(C(=O)CC[C@@H]2CCCN2C(=O)[O-])CCO1	ZINC000833967982	605458593	/nfs/dbraw/zinc/45/85/93/605458593.db2.gz	SZDRDUUAJQCZEM-WDEREUQCSA-N	-1	0	281.312	0.660	20	30		CCEDRM
O=C([O-])NCCC=NN=C1NS(=O)(=O)c2ccccc21	ZINC000832604818	605463585	/nfs/dbraw/zinc/46/35/85/605463585.db2.gz	AHXYWWQMKCTBKB-UHFFFAOYSA-N	-1	0	296.308	0.369	20	30		CCEDRM
C[C@H]1C[C@H](NC(=O)[O-])CCN1S(=O)(=O)CCCC#N	ZINC000825845894	605529970	/nfs/dbraw/zinc/52/99/70/605529970.db2.gz	RIWDBFXKFKCTCT-VHSXEESVSA-N	-1	0	289.357	0.740	20	30		CCEDRM
C[C@H](NC(=O)[O-])[C@@H]1CN(c2cnccc2C#N)CCO1	ZINC000833820522	605651493	/nfs/dbraw/zinc/65/14/93/605651493.db2.gz	RWUSCMWBEXJHGI-CABZTGNLSA-N	-1	0	276.296	0.815	20	30		CCEDRM
N#Cc1ncn(CC(=O)Nc2ccc(NC(=O)[O-])nc2)n1	ZINC000831161492	605695898	/nfs/dbraw/zinc/69/58/98/605695898.db2.gz	CJEMKHBMBRTTMU-UHFFFAOYSA-N	-1	0	287.239	0.273	20	30		CCEDRM
N#Cc1ccc(C(=O)NCC2CN(C(=O)[O-])C2)cn1	ZINC000833973685	605749367	/nfs/dbraw/zinc/74/93/67/605749367.db2.gz	QNYNVFIPRCKKQR-UHFFFAOYSA-N	-1	0	260.253	0.293	20	30		CCEDRM
C[C@@H](C(=O)Nc1ccccc1C#N)N(C)CC(=O)[O-]	ZINC000819883085	605807607	/nfs/dbraw/zinc/80/76/07/605807607.db2.gz	NHBDLWOKWOCMIP-VIFPVBQESA-N	-1	0	261.281	0.902	20	30		CCEDRM
N#CCN1CCC(NC(=O)CCCCNC(=O)[O-])CC1	ZINC000833968207	605894825	/nfs/dbraw/zinc/89/48/25/605894825.db2.gz	YGONITNFZFFPQD-UHFFFAOYSA-N	-1	0	282.344	0.528	20	30		CCEDRM
N#CCC1CCN(C(=O)[C@H]2CN(C(=O)[O-])CCO2)CC1	ZINC000833969169	605932924	/nfs/dbraw/zinc/93/29/24/605932924.db2.gz	SJKYCTQCAVHLOV-LLVKDONJSA-N	-1	0	281.312	0.517	20	30		CCEDRM
N#C[C@H]1CN(C(=O)CN(C(=O)[O-])C2CC2)CCN1C1CC1	ZINC000833965790	605966956	/nfs/dbraw/zinc/96/69/56/605966956.db2.gz	DTKQRHXDFJZSTH-LBPRGKRZSA-N	-1	0	292.339	0.328	20	30		CCEDRM
N#C[C@@H]1CSCCN1C(=O)[C@H]1CCN(C(=O)[O-])C1	ZINC000833966125	605972888	/nfs/dbraw/zinc/97/28/88/605972888.db2.gz	HSJNOLXAABAOPC-DTWKUNHWSA-N	-1	0	269.326	0.454	20	30		CCEDRM
N#CCN(C(=O)c1cnc(NC(=O)[O-])cn1)C1CC1	ZINC000833967750	606020694	/nfs/dbraw/zinc/02/06/94/606020694.db2.gz	UNRXJCVLHPCZRP-UHFFFAOYSA-N	-1	0	261.241	0.695	20	30		CCEDRM
N#C[C@H]1CSCCN1C(=O)c1cnc(NC(=O)[O-])cn1	ZINC000833966960	606045643	/nfs/dbraw/zinc/04/56/43/606045643.db2.gz	OVGYJDMKRSQFLU-ZETCQYMHSA-N	-1	0	293.308	0.648	20	30		CCEDRM
C#CCCS(=O)(=O)[N-]C(=O)CCCC(=O)NC(C)C	ZINC000810782965	613052760	/nfs/dbraw/zinc/05/27/60/613052760.db2.gz	YVRYKAXITAWSHG-UHFFFAOYSA-N	-1	0	288.369	0.151	20	30		CCEDRM
Cc1nc(-c2nnn[n-]2)c(N=NCc2ccc(O)cn2)o1	ZINC000826322816	607886815	/nfs/dbraw/zinc/88/68/15/607886815.db2.gz	CNEYIZTUJDXDPI-UHFFFAOYSA-N	-1	0	286.255	0.710	20	30		CCEDRM
C#C[C@@H](NC(=O)N1CCC[C@H](C(=O)[O-])C1)[C@H]1CCCO1	ZINC000874397725	613093752	/nfs/dbraw/zinc/09/37/52/613093752.db2.gz	AUZSTCSLNRXGSY-QJPTWQEYSA-N	-1	0	280.324	0.673	20	30		CCEDRM
C#CCN(CC#CC)C(=O)Cn1cc(C(=O)[O-])cn1	ZINC000864111123	613099712	/nfs/dbraw/zinc/09/97/12/613099712.db2.gz	RZGYUASPZBQJGT-UHFFFAOYSA-N	-1	0	259.265	0.066	20	30		CCEDRM
C=C(Cl)C[C@H](NS(=O)(=O)CCCF)C(=O)[O-]	ZINC000863419638	613390750	/nfs/dbraw/zinc/39/07/50/613390750.db2.gz	DPTVCSSNLIYDIV-ZETCQYMHSA-N	-1	0	273.713	0.861	20	30		CCEDRM
C=C(Cl)C[C@H](NS(=O)(=O)N(CC)CC)C(=O)[O-]	ZINC000863421300	613390920	/nfs/dbraw/zinc/39/09/20/613390920.db2.gz	QLXYZXYOSSMYBN-QMMMGPOBSA-N	-1	0	284.765	0.758	20	30		CCEDRM
C#CCC(C)(C)C(=O)[N-]S(=O)(=O)[C@H]1CCOC1	ZINC000810584309	612965964	/nfs/dbraw/zinc/96/59/64/612965964.db2.gz	CLUTWSZKLDXDQI-VIFPVBQESA-N	-1	0	259.327	0.271	20	30		CCEDRM
C#CCC(C)(C)C(=O)[N-]S(=O)(=O)c1c(C)nn(C)c1C	ZINC000810518916	612965967	/nfs/dbraw/zinc/96/59/67/612965967.db2.gz	YCTKPLQCWUPBLY-UHFFFAOYSA-N	-1	0	297.380	0.891	20	30		CCEDRM
COc1ccc(C(=O)[N-]S(C)(=O)=O)cc1[N+](=O)[O-]	ZINC000042280193	617220658	/nfs/dbraw/zinc/22/06/58/617220658.db2.gz	BGRSKRHKPUDHOX-UHFFFAOYSA-N	-1	0	274.254	0.868	20	30		CCEDRM
CC(C)(C)C[C@H](O)CNC(=O)[C@@](C)(C#N)CC(=O)[O-]	ZINC000819908861	613921974	/nfs/dbraw/zinc/92/19/74/613921974.db2.gz	VHJFFVJXSICIQC-TVQRCGJNSA-N	-1	0	270.329	0.904	20	30		CCEDRM
C#CCCCCCC(=O)N1CCO[C@H](C(=O)[O-])C1	ZINC000819701009	612975943	/nfs/dbraw/zinc/97/59/43/612975943.db2.gz	WBRRVQHBYWRHRI-NSHDSACASA-N	-1	0	253.298	0.882	20	30		CCEDRM
CC(C)C[C@H](NC(=O)Nc1nn(C)cc1C#N)C(=O)[O-]	ZINC000819972726	614219548	/nfs/dbraw/zinc/21/95/48/614219548.db2.gz	RYXRFSPAFURVGG-VIFPVBQESA-N	-1	0	279.300	0.913	20	30		CCEDRM
C#CCCCCNC(=O)N[C@@H](CSC)C(=O)[O-]	ZINC000905525662	612977791	/nfs/dbraw/zinc/97/77/91/612977791.db2.gz	IHKWGEDMFWKECV-VIFPVBQESA-N	-1	0	258.343	0.905	20	30		CCEDRM
C#CCCCCNC(=O)[C@H]1C[C@@H](O)CN1C(=O)[O-]	ZINC000823440653	612978051	/nfs/dbraw/zinc/97/80/51/612978051.db2.gz	CZUHTOBPPGYXEF-NXEZZACHSA-N	-1	0	254.286	0.019	20	30		CCEDRM
CC(C)N(C)S(=O)(=O)[N-]C(=O)CC1(C#N)CC1	ZINC000815939905	614269950	/nfs/dbraw/zinc/26/99/50/614269950.db2.gz	DRMHQOLTIBMSAJ-UHFFFAOYSA-N	-1	0	259.331	0.381	20	30		CCEDRM
C#CCOCCC(=O)N1CC[C@@H](OC)C[C@@H]1C(=O)[O-]	ZINC000833364880	612978361	/nfs/dbraw/zinc/97/83/61/612978361.db2.gz	YTOHPVQZGYZMAS-GHMZBOCLSA-N	-1	0	269.297	0.117	20	30		CCEDRM
CC1CCN(C(=O)COC(=O)[C@](C)(C#N)CC(=O)[O-])CC1	ZINC000820238203	614429868	/nfs/dbraw/zinc/42/98/68/614429868.db2.gz	LCVIFZIELVSOLP-AWEZNQCLSA-N	-1	0	296.323	0.793	20	30		CCEDRM
C[C@@H](C#N)C(=O)N(C)c1cccc(-c2nn[nH]n2)c1	ZINC000735505959	617287068	/nfs/dbraw/zinc/28/70/68/617287068.db2.gz	XVRRBPWJGOHYDF-QMMMGPOBSA-N	-1	0	256.269	0.989	20	30		CCEDRM
C[C@@H](C(=O)N1CCN(C(=O)[O-])C[C@H]1C#N)C1CC1	ZINC000823668704	617304425	/nfs/dbraw/zinc/30/44/25/617304425.db2.gz	GKEPTGYVEQZJAX-PSASIEDQSA-N	-1	0	251.286	0.747	20	30		CCEDRM
C#CCCCCNC(=O)C(=O)N1CCC(C)(C(=O)[O-])CC1	ZINC000843257658	612977181	/nfs/dbraw/zinc/97/71/81/612977181.db2.gz	RQQXGHAYTBPHEJ-UHFFFAOYSA-N	-1	0	294.351	0.619	20	30		CCEDRM
C#CCCCCNC(=O)C(=O)N1CC[C@H](C)[C@@H](C(=O)[O-])C1	ZINC000843257195	612977264	/nfs/dbraw/zinc/97/72/64/612977264.db2.gz	MALFRUKLBLWHJY-RYUDHWBXSA-N	-1	0	294.351	0.475	20	30		CCEDRM
C#CCCCCNC(=O)c1ccc(-c2nn[nH]n2)nc1	ZINC000819692960	612978302	/nfs/dbraw/zinc/97/83/02/612978302.db2.gz	LGNRWYKANDYFOB-UHFFFAOYSA-N	-1	0	270.296	0.795	20	30		CCEDRM
C#CCCCNC(=O)N1CCC[C@@H](c2n[nH]c(=O)[n-]2)C1	ZINC000920742879	612981563	/nfs/dbraw/zinc/98/15/63/612981563.db2.gz	AOXGGDAWBPWUFY-SNVBAGLBSA-N	-1	0	277.328	0.813	20	30		CCEDRM
C#CCCCS(=O)(=O)NCc1nc(C(F)(F)F)n[nH]1	ZINC000805070368	612984715	/nfs/dbraw/zinc/98/47/15/612984715.db2.gz	WRDKIPWAUMAJGU-UHFFFAOYSA-N	-1	0	296.274	0.656	20	30		CCEDRM
C#CCCCS(=O)(=O)[N-]c1nn(C)cc1C(=O)OCC	ZINC000820802201	612985712	/nfs/dbraw/zinc/98/57/12/612985712.db2.gz	HFAHFFZYODVLCX-UHFFFAOYSA-N	-1	0	299.352	0.752	20	30		CCEDRM
C#CCCN(CCOC)C(=O)CCCc1nnn[n-]1	ZINC000824749311	612986950	/nfs/dbraw/zinc/98/69/50/612986950.db2.gz	XCDZPNLBAVOBMN-UHFFFAOYSA-N	-1	0	265.317	0.021	20	30		CCEDRM
C#CCOCCN[C@H](C(=O)OC)c1cccc(C(=O)[O-])c1	ZINC000833366361	612990010	/nfs/dbraw/zinc/99/00/10/612990010.db2.gz	SWKAASYNPJAABP-ZDUSSCGKSA-N	-1	0	291.303	0.838	20	30		CCEDRM
C#CCOCCOC(=O)[C@@]1(F)CCN(C(=O)[O-])C1	ZINC000823463883	612990866	/nfs/dbraw/zinc/99/08/66/612990866.db2.gz	XMFQAABBHVUKTM-LLVKDONJSA-N	-1	0	259.233	0.271	20	30		CCEDRM
C#CCO[N-]C(=O)CNC(=O)c1ccccc1OC	ZINC000812783790	612992139	/nfs/dbraw/zinc/99/21/39/612992139.db2.gz	GGURFSSVHOPHHN-UHFFFAOYSA-N	-1	0	262.265	0.106	20	30		CCEDRM
C#CCO[N-]C(=O)Cn1cc(C(N)=O)c2ccccc21	ZINC000812786646	612992284	/nfs/dbraw/zinc/99/22/84/612992284.db2.gz	QNRLQXFFYVPRCZ-UHFFFAOYSA-N	-1	0	271.276	0.421	20	30		CCEDRM
C#CCO[N-]C(=O)[C@@H]1CC[C@@H](C(F)(F)F)NC1=O	ZINC000812782475	612992667	/nfs/dbraw/zinc/99/26/67/612992667.db2.gz	ULXHRMDMCUGSCT-RQJHMYQMSA-N	-1	0	264.203	0.125	20	30		CCEDRM
C#CCO[N-]C(=O)[C@@H]1CN(C(C)=O)c2ccccc2O1	ZINC000812782564	612992676	/nfs/dbraw/zinc/99/26/76/612992676.db2.gz	YDPQAMVATANXNJ-ZDUSSCGKSA-N	-1	0	274.276	0.482	20	30		CCEDRM
C#CCO[C@@H](C)C(=O)N1CCC[C@](C)(C(=O)[O-])C1	ZINC000909842624	612994624	/nfs/dbraw/zinc/99/46/24/612994624.db2.gz	NWNXYAFHLRLBNM-GWCFXTLKSA-N	-1	0	253.298	0.738	20	30		CCEDRM
C#CCO[C@@H](C)C(=O)[N-]S(=O)(=O)C1(CC=C)CC1	ZINC000835450205	612996781	/nfs/dbraw/zinc/99/67/81/612996781.db2.gz	XXZIZJZXCIRSQR-JTQLQIEISA-N	-1	0	271.338	0.579	20	30		CCEDRM
C#CCO[C@@H](C)C(=O)N[C@H](CC1CCOCC1)C(=O)[O-]	ZINC000910453440	612997307	/nfs/dbraw/zinc/99/73/07/612997307.db2.gz	NJHYILBUWCLIFF-CMPLNLGQSA-N	-1	0	283.324	0.411	20	30		CCEDRM
C#CCO[C@H](C)C(=O)N1CCCC[C@H]1CC(=O)[O-]	ZINC000909496974	612999499	/nfs/dbraw/zinc/99/94/99/612999499.db2.gz	KNOLGJNZOKDUHQ-MNOVXSKESA-N	-1	0	253.298	0.881	20	30		CCEDRM
C#CCO[C@H](C)C(=O)N1CC[C@@](C(=O)[O-])(C(C)C)C1	ZINC000909699260	613000535	/nfs/dbraw/zinc/00/05/35/613000535.db2.gz	QEINGJRYDXNQRG-RISCZKNCSA-N	-1	0	267.325	0.984	20	30		CCEDRM
C#CCO[C@H](C)C(=O)NCc1cc(C(=O)[O-])co1	ZINC000910311447	613001811	/nfs/dbraw/zinc/00/18/11/613001811.db2.gz	ZONYIODPXQKFFA-MRVPVSSYSA-N	-1	0	251.238	0.632	20	30		CCEDRM
C#CCO[C@H](C)C(=O)N[C@H](C)C1(C(=O)[O-])CCOCC1	ZINC000907916763	613002913	/nfs/dbraw/zinc/00/29/13/613002913.db2.gz	BXNHQWMAAKKAFA-GHMZBOCLSA-N	-1	0	283.324	0.411	20	30		CCEDRM
C#CCO[C@H](C)C(=O)N[C@H]1CCCn2nc(C(=O)[O-])cc21	ZINC000908119038	613003299	/nfs/dbraw/zinc/00/32/99/613003299.db2.gz	YCNIHXAMWXZIEZ-ZJUUUORDSA-N	-1	0	291.307	0.571	20	30		CCEDRM
C#CCO[C@H](C)C(=O)Nc1c[nH]c(C(=O)OCC)n1	ZINC000830352899	613003562	/nfs/dbraw/zinc/00/35/62/613003562.db2.gz	RPRZGPDFLFCKEK-MRVPVSSYSA-N	-1	0	265.269	0.563	20	30		CCEDRM
C#CCOc1ccc(NC(=O)NCC(=O)[N-]OCC)cc1	ZINC000844533884	613007040	/nfs/dbraw/zinc/00/70/40/613007040.db2.gz	FDOCKALDUPVCCJ-UHFFFAOYSA-N	-1	0	291.307	0.888	20	30		CCEDRM
C#CCOc1ccccc1NC(=O)NCC(=O)[N-]OCC	ZINC000844638019	613008321	/nfs/dbraw/zinc/00/83/21/613008321.db2.gz	PUOVTNWQSALWMD-UHFFFAOYSA-N	-1	0	291.307	0.888	20	30		CCEDRM
C#CC[C@@H](NC(=O)C1(OCC)CCCC1)C(=O)[O-]	ZINC000910046011	613039451	/nfs/dbraw/zinc/03/94/51/613039451.db2.gz	JLJYFQYQAARRGA-SNVBAGLBSA-N	-1	0	253.298	0.928	20	30		CCEDRM
C#CC[C@@H](NC(=O)Cc1cccc(NC(C)=O)c1)C(=O)[O-]	ZINC000910046014	613040328	/nfs/dbraw/zinc/04/03/28/613040328.db2.gz	JLQOSMHQYCQLFW-CYBMUJFWSA-N	-1	0	288.303	0.780	20	30		CCEDRM
C#CC[C@@H](NC(=O)Nc1cnn(CC2CC2)c1)C(=O)[O-]	ZINC000908683628	613040516	/nfs/dbraw/zinc/04/05/16/613040516.db2.gz	BVHPAAUFPWPTRF-LLVKDONJSA-N	-1	0	276.296	0.891	20	30		CCEDRM
C#CC[C@@H](NC(=O)[C@H](C)c1c(C)nn(C)c1C)C(=O)[O-]	ZINC000910053520	613041045	/nfs/dbraw/zinc/04/10/45/613041045.db2.gz	BAZWATVCHPXDQC-LDYMZIIASA-N	-1	0	277.324	0.733	20	30		CCEDRM
C#CC[C@@H](NC(=O)[C@](C)(C=C)CCOC)C(=O)[O-]	ZINC000910048196	613041538	/nfs/dbraw/zinc/04/15/38/613041538.db2.gz	GRIDYXNSWRCPDU-ZWNOBZJWSA-N	-1	0	253.298	0.808	20	30		CCEDRM
C#CC[C@@H](NC(=O)c1cccnc1N1CCCC1)C(=O)[O-]	ZINC000910050954	613042073	/nfs/dbraw/zinc/04/20/73/613042073.db2.gz	BPPNSASUIYONAT-GFCCVEGCSA-N	-1	0	287.319	0.888	20	30		CCEDRM
C#CCCNC(=O)CO[C@@H]1CCCN(C(=O)[O-])C1	ZINC000823444309	613046733	/nfs/dbraw/zinc/04/67/33/613046733.db2.gz	FWTACRFAPZXIHM-SNVBAGLBSA-N	-1	0	254.286	0.285	20	30		CCEDRM
C#CCCNC(=O)C(=O)Nc1ccc(C)c(C(=O)[O-])c1	ZINC000825608827	613046935	/nfs/dbraw/zinc/04/69/35/613046935.db2.gz	MBVIHZBXCCJRMQ-UHFFFAOYSA-N	-1	0	274.276	0.771	20	30		CCEDRM
C#CCCNC(=O)C(=O)Nc1sccc1C(=O)[O-]	ZINC000825608556	613046977	/nfs/dbraw/zinc/04/69/77/613046977.db2.gz	CITPBCCWVRPSAF-UHFFFAOYSA-N	-1	0	266.278	0.524	20	30		CCEDRM
C#CCCNC(=O)NC1C[C@H]2CC[C@@H](C1)N2C(=O)[O-]	ZINC000823444703	613047336	/nfs/dbraw/zinc/04/73/36/613047336.db2.gz	PAMWFRPSANTARC-FGWVZKOKSA-N	-1	0	265.313	0.982	20	30		CCEDRM
C#CCCNC(=O)N1C[C@H](CNC(=O)[O-])C[C@@H]1C	ZINC000833787170	613047426	/nfs/dbraw/zinc/04/74/26/613047426.db2.gz	IADGEIYDSCTFRK-UWVGGRQHSA-N	-1	0	253.302	0.697	20	30		CCEDRM
C#CCC[N-]S(=O)(=O)c1occc1C(=O)OC	ZINC000866785467	613048312	/nfs/dbraw/zinc/04/83/12/613048312.db2.gz	WZZRLXJSTSLKLW-UHFFFAOYSA-N	-1	0	257.267	0.368	20	30		CCEDRM
C#CCCS(=O)(=O)[N-]C(=O)[C@@H]1CCCC[C@@H]1OC	ZINC000816056394	613053183	/nfs/dbraw/zinc/05/31/83/613053183.db2.gz	QUKQIMCMDBVEED-MNOVXSKESA-N	-1	0	273.354	0.661	20	30		CCEDRM
C#CCCS(=O)(=O)[N-]C(=O)c1ccc(F)c(OC)c1	ZINC000810784252	613053548	/nfs/dbraw/zinc/05/35/48/613053548.db2.gz	XYFNHHAYGHEVQK-UHFFFAOYSA-N	-1	0	285.296	0.917	20	30		CCEDRM
C#CCCS(=O)(=O)[N-]C(=O)c1cccc(C)c1[N+](=O)[O-]	ZINC000791110545	613053593	/nfs/dbraw/zinc/05/35/93/613053593.db2.gz	FHGFRRCFLPFVSE-UHFFFAOYSA-N	-1	0	296.304	0.986	20	30		CCEDRM
C#CCCS(=O)(=O)[N-]C(=O)c1cccc(NC(N)=O)c1	ZINC000791111758	613053663	/nfs/dbraw/zinc/05/36/63/613053663.db2.gz	YDNSMPBROYOZMA-UHFFFAOYSA-N	-1	0	295.320	0.260	20	30		CCEDRM
C#CCCS(=O)(=O)[N-]C(=O)c1cncc(OC(C)C)c1	ZINC000810785232	613053773	/nfs/dbraw/zinc/05/37/73/613053773.db2.gz	CDJKDMWYAUHBLE-UHFFFAOYSA-N	-1	0	296.348	0.952	20	30		CCEDRM
C#CC[C@H](CO)NC(=O)c1cc([O-])cc([N+](=O)[O-])c1	ZINC000854546171	613057510	/nfs/dbraw/zinc/05/75/10/613057510.db2.gz	YQOAFFSFSZJQKF-SECBINFHSA-N	-1	0	264.237	0.414	20	30		CCEDRM
C#CC[C@H](CO)NC(=O)c1cc([O-])ccc1[N+](=O)[O-]	ZINC000816669186	613057570	/nfs/dbraw/zinc/05/75/70/613057570.db2.gz	JREZRQSXXZVXSY-MRVPVSSYSA-N	-1	0	264.237	0.414	20	30		CCEDRM
C#CCC[C@H](O)CNC(=O)c1ccc2oc(=O)nc-2[n-]1	ZINC000847160340	613063539	/nfs/dbraw/zinc/06/35/39/613063539.db2.gz	NOTHSIPJHKNMGN-QMMMGPOBSA-N	-1	0	275.264	0.433	20	30		CCEDRM
C#CC[C@H](NC(=O)C1(C(F)(F)F)CCOCC1)C(=O)[O-]	ZINC000910045392	613067442	/nfs/dbraw/zinc/06/74/42/613067442.db2.gz	CJPFKKVSZJRXPD-QMMMGPOBSA-N	-1	0	293.241	0.938	20	30		CCEDRM
C#CC[C@H](NC(=O)CCc1cscn1)C(=O)[O-]	ZINC000910054523	613067787	/nfs/dbraw/zinc/06/77/87/613067787.db2.gz	PEHOZWZJAKJLBS-VIFPVBQESA-N	-1	0	252.295	0.668	20	30		CCEDRM
C#CC[C@H](NC(=O)COc1cccc(OC)c1)C(=O)[O-]	ZINC000910052052	613067830	/nfs/dbraw/zinc/06/78/30/613067830.db2.gz	MFQJBLUYGJJROK-LBPRGKRZSA-N	-1	0	277.276	0.667	20	30		CCEDRM
C#CC[C@H](NC(=O)[C@@H](CC)N1CCO[C@H](CC)C1)C(=O)[O-]	ZINC000910050097	613068439	/nfs/dbraw/zinc/06/84/39/613068439.db2.gz	FFOPDINNDORIPK-FRRDWIJNSA-N	-1	0	296.367	0.469	20	30		CCEDRM
C#CC[C@H](NC(=O)[C@@H]1C[C@H]1c1cncn1C)C(=O)[O-]	ZINC000910050253	613068976	/nfs/dbraw/zinc/06/89/76/613068976.db2.gz	HTKZAGGKCGACFC-BBBLOLIVSA-N	-1	0	261.281	0.116	20	30		CCEDRM
C#CC[C@H](NC(=O)c1cc(=O)[nH]c(C2CC2)c1)C(=O)[O-]	ZINC000910048948	613070107	/nfs/dbraw/zinc/07/01/07/613070107.db2.gz	PSNPCJGXPJFOFS-JTQLQIEISA-N	-1	0	274.276	0.871	20	30		CCEDRM
C#CC[C@H](NC(=O)c1cc(OC)ns1)C(=O)[O-]	ZINC000910049649	613070201	/nfs/dbraw/zinc/07/02/01/613070201.db2.gz	YYWJTFWOCNXWGU-LURJTMIESA-N	-1	0	254.267	0.358	20	30		CCEDRM
C#CC[C@H](NC(=O)c1ccnn1CC(C)C)C(=O)[O-]	ZINC000910046331	613070349	/nfs/dbraw/zinc/07/03/49/613070349.db2.gz	MQMRNHUYQCVQMQ-JTQLQIEISA-N	-1	0	263.297	0.745	20	30		CCEDRM
C#CC[C@H](NC(=O)c1[nH]cnc1C(C)(C)C)C(=O)[O-]	ZINC000910050890	613070796	/nfs/dbraw/zinc/07/07/96/613070796.db2.gz	POCQXNULZNSLKY-QMMMGPOBSA-N	-1	0	263.297	0.914	20	30		CCEDRM
C#C[C@@H](C)OC(=O)Cc1ccc(-c2nn[nH]n2)cc1	ZINC000819688615	613082589	/nfs/dbraw/zinc/08/25/89/613082589.db2.gz	KOVBBBDINKKQFE-SECBINFHSA-N	-1	0	256.265	0.974	20	30		CCEDRM
C#C[C@@H](CO)NC(=O)c1nn(-c2ccccc2CC)cc1[O-]	ZINC000854777442	613090445	/nfs/dbraw/zinc/09/04/45/613090445.db2.gz	CKAWISRAZRKHEU-LBPRGKRZSA-N	-1	0	299.330	0.864	20	30		CCEDRM
C#C[C@@H](NC(=O)C1(C(=O)[O-])CC1)C1CCOCC1	ZINC000911789755	613091175	/nfs/dbraw/zinc/09/11/75/613091175.db2.gz	HSNQCUIDKINKKT-SNVBAGLBSA-N	-1	0	251.282	0.396	20	30		CCEDRM
C#CCN(CC#CC)C(=O)CCCn1ccc(C(=O)[O-])n1	ZINC000908809041	613099544	/nfs/dbraw/zinc/09/95/44/613099544.db2.gz	HFCVKXKYDCUTAT-UHFFFAOYSA-N	-1	0	287.319	0.847	20	30		CCEDRM
C#CCN(CC)S(=O)(=O)c1cc(C(=O)[O-])c(C)o1	ZINC000825614132	613106471	/nfs/dbraw/zinc/10/64/71/613106471.db2.gz	GLPNVUSOMHKPBJ-UHFFFAOYSA-N	-1	0	271.294	0.930	20	30		CCEDRM
C#CCN(Cc1ccccc1)C(=O)CCc1nnn[n-]1	ZINC000868316466	613108811	/nfs/dbraw/zinc/10/88/11/613108811.db2.gz	JIGFUSFAHGSARE-UHFFFAOYSA-N	-1	0	269.308	0.794	20	30		CCEDRM
C#C[C@H](C)N(C)S(=O)(=O)c1cc(C(=O)[O-])n(C)c1	ZINC000906957544	613114510	/nfs/dbraw/zinc/11/45/10/613114510.db2.gz	OVKZOWSKWBVRNF-QMMMGPOBSA-N	-1	0	270.310	0.366	20	30		CCEDRM
C#C[C@H](C)NC(=O)NCC1(C(=O)[O-])CCOCC1	ZINC000123861453	613116680	/nfs/dbraw/zinc/11/66/80/613116680.db2.gz	FTNHASIJNUWBSN-VIFPVBQESA-N	-1	0	254.286	0.189	20	30		CCEDRM
C#C[C@H](C)OC(=O)c1ccc([N-]S(C)(=O)=O)nc1	ZINC000860560387	613119243	/nfs/dbraw/zinc/11/92/43/613119243.db2.gz	HKVHTBBECHLUTN-QMMMGPOBSA-N	-1	0	268.294	0.632	20	30		CCEDRM
C#C[C@H](NC(=O)C[C@H](C)CC(=O)[O-])[C@H]1CCCO1	ZINC000911578537	613133769	/nfs/dbraw/zinc/13/37/69/613133769.db2.gz	KMSBBADNALWBBV-GARJFASQSA-N	-1	0	253.298	0.784	20	30		CCEDRM
C#C[C@H](NC(=O)[C@@H](C(=O)[O-])C(C)C)C1CCOCC1	ZINC000911791767	613145539	/nfs/dbraw/zinc/14/55/39/613145539.db2.gz	OMDCXGNYNOOSBK-RYUDHWBXSA-N	-1	0	267.325	0.888	20	30		CCEDRM
C#C[C@H](NC(=O)c1ccoc1CC(=O)[O-])[C@@H]1CCCO1	ZINC000911578532	613149164	/nfs/dbraw/zinc/14/91/64/613149164.db2.gz	KKMDAURVGZTIEQ-QWRGUYRKSA-N	-1	0	277.276	0.817	20	30		CCEDRM
C#C[C@H]([N-]S(=O)(=O)N=[S@](C)(=O)CC)[C@H]1CCCO1	ZINC000867124523	613152112	/nfs/dbraw/zinc/15/21/12/613152112.db2.gz	CJBMKWPNKWUFPT-YAXFVEMYSA-N	-1	0	294.398	0.119	20	30		CCEDRM
C#Cc1ccc(C(=O)N2CC[C@H](N(C)C(=O)[O-])C2)nc1	ZINC000823467543	613173520	/nfs/dbraw/zinc/17/35/20/613173520.db2.gz	ZMGKTKWGLCFAPJ-NSHDSACASA-N	-1	0	273.292	0.887	20	30		CCEDRM
C#CCN1CCC[C@@H]1COC(=O)CSCC(=O)[O-]	ZINC000819700728	613176462	/nfs/dbraw/zinc/17/64/62/613176462.db2.gz	GFXWMBXZQULYMH-SNVBAGLBSA-N	-1	0	271.338	0.445	20	30		CCEDRM
C#Cc1ccc(C(=O)N[C@@H](Cc2c[nH]cn2)C(=O)[O-])nc1	ZINC000833368965	613183900	/nfs/dbraw/zinc/18/39/00/613183900.db2.gz	XXWSKSARDIKHIO-LBPRGKRZSA-N	-1	0	284.275	0.212	20	30		CCEDRM
C#Cc1ccc(C(=O)N[C@](C)(COC)C(=O)[O-])cc1	ZINC000909365667	613192937	/nfs/dbraw/zinc/19/29/37/613192937.db2.gz	SWWRBUDAYMXQFW-CQSZACIVSA-N	-1	0	261.277	0.887	20	30		CCEDRM
C#CCN1CCC[C@H]1C(=O)NCC(C)(C)NC(=O)[O-]	ZINC000823450695	613198715	/nfs/dbraw/zinc/19/87/15/613198715.db2.gz	GMTNNFNFOWGBRI-JTQLQIEISA-N	-1	0	267.329	0.246	20	30		CCEDRM
C#CCN1CCN(C(=O)Cc2cccc(C(=O)[O-])c2)CC1	ZINC000833364961	613206063	/nfs/dbraw/zinc/20/60/63/613206063.db2.gz	WOAPHTFMIDMVMV-UHFFFAOYSA-N	-1	0	286.331	0.705	20	30		CCEDRM
C#Cc1cncc(C(=O)N2CCC[C@@H](c3n[nH]c(=O)[n-]3)C2)c1	ZINC000843879337	613212751	/nfs/dbraw/zinc/21/27/51/613212751.db2.gz	XWJONHHWSJNCSS-LLVKDONJSA-N	-1	0	297.318	0.906	20	30		CCEDRM
C#Cc1cncc(C(=O)NC[C@H]2CCO[C@H]2C(=O)[O-])c1	ZINC000910347467	613218291	/nfs/dbraw/zinc/21/82/91/613218291.db2.gz	UUNMHPNUCOGWGV-ZYHUDNBSSA-N	-1	0	274.276	0.282	20	30		CCEDRM
C#Cc1cncc(C(=O)N[C@H](C[C@H]2CCCO2)C(=O)[O-])c1	ZINC000910592965	613221180	/nfs/dbraw/zinc/22/11/80/613221180.db2.gz	QAIKAZKXARHJOA-CHWSQXEVSA-N	-1	0	288.303	0.815	20	30		CCEDRM
C=C(C)C(C)(C)C(=O)[N-]S(=O)(=O)c1cnc(OC)nc1	ZINC000893773086	613244631	/nfs/dbraw/zinc/24/46/31/613244631.db2.gz	JNCGBHQBRNYKOS-UHFFFAOYSA-N	-1	0	299.352	0.892	20	30		CCEDRM
C=C(C)COCCNC(=O)NCC(C)(C)NC(=O)[O-]	ZINC000823480454	613352082	/nfs/dbraw/zinc/35/20/82/613352082.db2.gz	CREJTNFMXYXNHF-UHFFFAOYSA-N	-1	0	273.333	0.925	20	30		CCEDRM
C=C(C)CO[N-]C(=O)C(=O)Nc1cnn(CC(F)F)c1	ZINC000846145384	613352417	/nfs/dbraw/zinc/35/24/17/613352417.db2.gz	AKLSDSPREJNUEH-UHFFFAOYSA-N	-1	0	288.254	0.711	20	30		CCEDRM
C=C(C)CO[N-]C(=O)CN1CCCCC(=O)C1=O	ZINC000869153151	613352449	/nfs/dbraw/zinc/35/24/49/613352449.db2.gz	QPKAXNTZWYBQQF-UHFFFAOYSA-N	-1	0	254.286	0.192	20	30		CCEDRM
C=C(C)CO[N-]C(=O)[C@H](CCC)S(N)(=O)=O	ZINC000855026288	613353841	/nfs/dbraw/zinc/35/38/41/613353841.db2.gz	AIJSVFSXGFRCSA-QMMMGPOBSA-N	-1	0	250.320	0.068	20	30		CCEDRM
C=C(C)CO[N-]C(=O)[C@@H]1C[C@@H](O)CN1c1ccncn1	ZINC000824233823	613353847	/nfs/dbraw/zinc/35/38/47/613353847.db2.gz	YVEVTLRFZGSHBH-MNOVXSKESA-N	-1	0	278.312	0.040	20	30		CCEDRM
C=C(C)CS(=O)(=O)N[C@@H](COC)C(=O)OCC	ZINC000921379899	613354197	/nfs/dbraw/zinc/35/41/97/613354197.db2.gz	UWTXDQYUUYUGKU-VIFPVBQESA-N	-1	0	265.331	0.060	20	30		CCEDRM
C=C(C)C[C@@H](NC(=O)NCCCN1CCOCC1)C(=O)[O-]	ZINC000908737432	613355871	/nfs/dbraw/zinc/35/58/71/613355871.db2.gz	KMEOOPZMTSTHTL-GFCCVEGCSA-N	-1	0	299.371	0.427	20	30		CCEDRM
C=C(C)C[C@@H](NS(=O)(=O)C[C@@H]1CCCOC1)C(=O)[O-]	ZINC000871995673	613356739	/nfs/dbraw/zinc/35/67/39/613356739.db2.gz	DYDFHCJGZQVBJF-GHMZBOCLSA-N	-1	0	291.369	0.752	20	30		CCEDRM
C=C(C)C[C@H](NC(=O)c1cn2c(n1)CCC2)C(=O)[O-]	ZINC000864187855	613359229	/nfs/dbraw/zinc/35/92/29/613359229.db2.gz	PWRYCNHXXXNCAO-VIFPVBQESA-N	-1	0	263.297	0.979	20	30		CCEDRM
C=C(C)C[C@H](NC(C)=O)C(=O)[N-]O[C@@H](CO)C(C)C	ZINC000854827461	613359476	/nfs/dbraw/zinc/35/94/76/613359476.db2.gz	MARSWBODNDVQQH-RYUDHWBXSA-N	-1	0	272.345	0.522	20	30		CCEDRM
C=C(C)[C@@H](CC(=O)N(CC#N)CC(=O)[O-])OCC	ZINC000833367684	613360018	/nfs/dbraw/zinc/36/00/18/613360018.db2.gz	RCOCOBBZIFKLBN-SNVBAGLBSA-N	-1	0	254.286	0.794	20	30		CCEDRM
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CCO[C@H](C(=O)[O-])C1	ZINC000901452241	613361144	/nfs/dbraw/zinc/36/11/44/613361144.db2.gz	MMXXBCACHAMRKX-DCAQKATOSA-N	-1	0	269.297	0.280	20	30		CCEDRM
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CC[C@](F)(C(=O)[O-])C1	ZINC000909314855	613361244	/nfs/dbraw/zinc/36/12/44/613361244.db2.gz	ZGEQGFPPYMSWDQ-OUJBWJOFSA-N	-1	0	271.288	0.993	20	30		CCEDRM
C=C(C)[C@H](CC(=O)N[C@@H](Cc1c[nH]cn1)C(=O)[O-])OCC	ZINC000833366755	613362294	/nfs/dbraw/zinc/36/22/94/613362294.db2.gz	CQYMZTBGSSMFND-RYUDHWBXSA-N	-1	0	295.339	0.893	20	30		CCEDRM
C=C(CC)CNC(=O)C(=O)NC[C@@H](CC)C(=O)[O-]	ZINC000927951274	613363225	/nfs/dbraw/zinc/36/32/25/613363225.db2.gz	UGBPJXPPXHLREW-SECBINFHSA-N	-1	0	256.302	0.296	20	30		CCEDRM
C=C(Cl)C[C@@H](NS(=O)(=O)[C@@H](C)CCOC)C(=O)[O-]	ZINC000863420109	613388839	/nfs/dbraw/zinc/38/88/39/613388839.db2.gz	JWRKCTXZFNZOQE-DTWKUNHWSA-N	-1	0	299.776	0.927	20	30		CCEDRM
C=C(Cl)C[C@H](NC(=O)[C@@H](C)n1cncn1)C(=O)[O-]	ZINC000864183729	613390682	/nfs/dbraw/zinc/39/06/82/613390682.db2.gz	HWGQWHDEVGOXIV-SFYZADRCSA-N	-1	0	272.692	0.551	20	30		CCEDRM
C=C(Cl)C[C@H](NC(=O)COC[C@@H]1CCCO1)C(=O)[O-]	ZINC000864185206	613390696	/nfs/dbraw/zinc/39/06/96/613390696.db2.gz	WDWFKGPBUQVZOC-UWVGGRQHSA-N	-1	0	291.731	0.894	20	30		CCEDRM
C=C(Cl)C[C@H](NC(=O)c1ccnn1C)C(=O)[O-]	ZINC000864183668	613390795	/nfs/dbraw/zinc/39/07/95/613390795.db2.gz	TYYHWBRMPWQRRN-ZETCQYMHSA-N	-1	0	257.677	0.746	20	30		CCEDRM
C=CC[C@@H](CC)NC(=O)C(=O)NC[C@@H](CC)C(=O)[O-]	ZINC000927942771	613401150	/nfs/dbraw/zinc/40/11/50/613401150.db2.gz	ITNDNDCCVYHTBF-NXEZZACHSA-N	-1	0	270.329	0.684	20	30		CCEDRM
C=CC[C@@H](CO)CNC(=O)c1cccc(C(=O)[O-])n1	ZINC000833369820	613402594	/nfs/dbraw/zinc/40/25/94/613402594.db2.gz	FUADIZMKRHETAM-SECBINFHSA-N	-1	0	264.281	0.694	20	30		CCEDRM
C=CCn1cc(C(=O)N(CCC)[C@@H](C)C(=O)[O-])nn1	ZINC000911708779	613425259	/nfs/dbraw/zinc/42/52/59/613425259.db2.gz	RJAWLBQVOKHQMI-VIFPVBQESA-N	-1	0	266.301	0.789	20	30		CCEDRM
C=CCn1cc(C(=O)N2CC[C@@](F)(C(=O)[O-])C2)nn1	ZINC000844154484	613427126	/nfs/dbraw/zinc/42/71/26/613427126.db2.gz	CKMQOYJQYPORRL-NSHDSACASA-N	-1	0	268.248	0.103	20	30		CCEDRM
C=C[C@@H](C)O[N-]C(=O)C(C)(C)S(=O)(=O)C1CC1	ZINC000846552181	613443172	/nfs/dbraw/zinc/44/31/72/613443172.db2.gz	CBLDJOPRXRMCSL-MRVPVSSYSA-N	-1	0	261.343	0.965	20	30		CCEDRM
C=CC(C)(C)C(=O)NCCn1cc(C(=O)[O-])nn1	ZINC000909819086	613444070	/nfs/dbraw/zinc/44/40/70/613444070.db2.gz	YWDGHPLRMAYJHP-UHFFFAOYSA-N	-1	0	252.274	0.305	20	30		CCEDRM
C=CC(C)(C)CC(=O)N[C@H](C)C(=O)N[C@H](C)C(=O)[O-]	ZINC000910743752	613446086	/nfs/dbraw/zinc/44/60/86/613446086.db2.gz	QWTLPHHLKRMILD-RKDXNWHRSA-N	-1	0	270.329	0.683	20	30		CCEDRM
C=CC(C)(C)CC(=O)[N-]S(=O)(=O)[C@H]1CCOC1	ZINC000892692861	613446165	/nfs/dbraw/zinc/44/61/65/613446165.db2.gz	YYRCTVWWLXJVAB-VIFPVBQESA-N	-1	0	261.343	0.824	20	30		CCEDRM
C=C[C@@H](C)O[N-]C(=O)[C@H](CCC)S(N)(=O)=O	ZINC000855026419	613447058	/nfs/dbraw/zinc/44/70/58/613447058.db2.gz	DTAVPVGOBGVURA-SFYZADRCSA-N	-1	0	250.320	0.066	20	30		CCEDRM
C=C[C@@H](C)O[N-]C(=O)[C@H]1CCCCN1S(C)(=O)=O	ZINC000846542940	613447207	/nfs/dbraw/zinc/44/72/07/613447207.db2.gz	JKEYMBNMJWNUOA-NXEZZACHSA-N	-1	0	276.358	0.423	20	30		CCEDRM
C=CC(C)(C)CCNC(=O)C(=O)[N-]OCCOC	ZINC000875484306	613447452	/nfs/dbraw/zinc/44/74/52/613447452.db2.gz	JAXMLAKJMQYYPB-UHFFFAOYSA-N	-1	0	258.318	0.399	20	30		CCEDRM
C=CC1(S(=O)(=O)[N-]C(=O)C(C)(C)C(=O)OCC)CC1	ZINC000870834232	613449804	/nfs/dbraw/zinc/44/98/04/613449804.db2.gz	SFNLLYCJPRRTLB-UHFFFAOYSA-N	-1	0	289.353	0.740	20	30		CCEDRM
C=CC1(S(=O)(=O)[N-]C(=O)C2(N)CCCC2)CC1	ZINC000901063687	613450373	/nfs/dbraw/zinc/45/03/73/613450373.db2.gz	LVEXBLOPSNCWER-UHFFFAOYSA-N	-1	0	258.343	0.423	20	30		CCEDRM
C=CC1(S(=O)(=O)[N-]C(=O)Cc2ccc(F)cn2)CC1	ZINC000870836882	613450843	/nfs/dbraw/zinc/45/08/43/613450843.db2.gz	PURVTJCLLPMZCN-UHFFFAOYSA-N	-1	0	284.312	0.928	20	30		CCEDRM
C=CC1(S(=O)(=O)[N-]C(=O)C[C@@H]2CCCO2)CC1	ZINC000870832043	613450870	/nfs/dbraw/zinc/45/08/70/613450870.db2.gz	QQQSENCWZXASEM-VIFPVBQESA-N	-1	0	259.327	0.720	20	30		CCEDRM
C=C[C@@H](O)C(=O)N[C@@H](C)c1nc(C)c(C(=O)[O-])s1	ZINC000909502815	613452192	/nfs/dbraw/zinc/45/21/92/613452192.db2.gz	GGVCZSNFWIHGLC-NKWVEPMBSA-N	-1	0	270.310	0.874	20	30		CCEDRM
C=CCC(C)(C)C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)[O-]	ZINC000910285866	613453085	/nfs/dbraw/zinc/45/30/85/613453085.db2.gz	VQUPUOQFCIDUAJ-IUCAKERBSA-N	-1	0	270.329	0.683	20	30		CCEDRM
C=CCC(F)(F)C(=O)[N-]S(=O)(=O)c1cnn(C)c1	ZINC000815900176	613455226	/nfs/dbraw/zinc/45/52/26/613455226.db2.gz	RUSPSOQJUAJZGI-UHFFFAOYSA-N	-1	0	279.268	0.436	20	30		CCEDRM
C=CCC1(C(=O)[N-]S(=O)(=O)CC(=O)OC)CCCC1	ZINC000838797687	613456538	/nfs/dbraw/zinc/45/65/38/613456538.db2.gz	PJYBXFYSIPFDGM-UHFFFAOYSA-N	-1	0	289.353	0.742	20	30		CCEDRM
C=CCC1(S(=O)(=O)[N-]C(=O)CN(C)C(C)=O)CC1	ZINC000810988711	613460774	/nfs/dbraw/zinc/46/07/74/613460774.db2.gz	PHOXAPNXNUMZKF-UHFFFAOYSA-N	-1	0	274.342	0.019	20	30		CCEDRM
C=CCC1(S(=O)(=O)[N-]C(=O)CCC(C)=O)CC1	ZINC000810986015	613460877	/nfs/dbraw/zinc/46/08/77/613460877.db2.gz	WPTWQEBZAONAON-UHFFFAOYSA-N	-1	0	259.327	0.910	20	30		CCEDRM
C=CCC1(S(=O)(=O)[N-]C(=O)[C@H]2CO[C@H](C)C2)CC1	ZINC000810988288	613461449	/nfs/dbraw/zinc/46/14/49/613461449.db2.gz	GNVAVIQBYIZUKA-NXEZZACHSA-N	-1	0	273.354	0.966	20	30		CCEDRM
C=CCC1(S(=O)(=O)[N-]C(=O)c2ccn(C)n2)CC1	ZINC000835448390	613461462	/nfs/dbraw/zinc/46/14/62/613461462.db2.gz	FATRCCAEUHTBHS-UHFFFAOYSA-N	-1	0	269.326	0.588	20	30		CCEDRM
C=CCCC(=O)Cn1cc(C(=O)[O-])cc([N+](=O)[O-])c1=O	ZINC000833373479	613461702	/nfs/dbraw/zinc/46/17/02/613461702.db2.gz	QLIGTZOSJRIBHV-UHFFFAOYSA-N	-1	0	280.236	0.990	20	30		CCEDRM
C=CCCC(=O)[N-]S(=O)(=O)c1cnn(C)c1C	ZINC000813956941	613462917	/nfs/dbraw/zinc/46/29/17/613462917.db2.gz	UVWBBCAXKDNPEK-UHFFFAOYSA-N	-1	0	257.315	0.500	20	30		CCEDRM
C=CCCCS(=O)(=O)N1CCC(OC)(C(=O)[O-])CC1	ZINC000819099877	613468599	/nfs/dbraw/zinc/46/85/99/613468599.db2.gz	IWSLXNVIADALBU-UHFFFAOYSA-N	-1	0	291.369	0.848	20	30		CCEDRM
C=C[C@@H]1OCC[C@H]1CNC(=O)N[C@H](C(=O)[O-])C(C)C	ZINC000900293821	613469780	/nfs/dbraw/zinc/46/97/80/613469780.db2.gz	HGPJAMXRMSZODO-DCAQKATOSA-N	-1	0	270.329	0.986	20	30		CCEDRM
C=C[C@@H]1OCC[C@H]1CNC(=O)[C@H]1CO[C@H](CCC(=O)[O-])C1	ZINC000901682381	613470031	/nfs/dbraw/zinc/47/00/31/613470031.db2.gz	SCENJMZDQOVXRF-LOWDOPEQSA-N	-1	0	297.351	0.964	20	30		CCEDRM
C=CCCC[C@@H](NC(=O)CN1CCCCC1=O)C(=O)[O-]	ZINC000910921787	613470473	/nfs/dbraw/zinc/47/04/73/613470473.db2.gz	GALJSYGBLIWVHO-LLVKDONJSA-N	-1	0	282.340	0.925	20	30		CCEDRM
C=CCCC[C@H](NC(=O)NCCn1ccnc1)C(=O)[O-]	ZINC000908752719	613473132	/nfs/dbraw/zinc/47/31/32/613473132.db2.gz	FAUAVRVEKGKSJH-NSHDSACASA-N	-1	0	280.328	0.992	20	30		CCEDRM
C=CCCC[C@H](NC(=O)[C@H]1CC(=O)N(C2CC2)C1)C(=O)[O-]	ZINC000910914843	613474451	/nfs/dbraw/zinc/47/44/51/613474451.db2.gz	LJNPMJRKJRGMFQ-JQWIXIFHSA-N	-1	0	294.351	0.923	20	30		CCEDRM
C=C[C@@](C)(CCOC)C(=O)N1CC[C@@](OC)(C(=O)[O-])C1	ZINC000910216186	613476962	/nfs/dbraw/zinc/47/69/62/613476962.db2.gz	DDLIMDICRPOXIZ-KBPBESRZSA-N	-1	0	285.340	0.917	20	30		CCEDRM
C=C[C@@](C)(O)C(=O)NCCc1ccc(OCC(=O)[O-])cc1	ZINC000909301803	613478315	/nfs/dbraw/zinc/47/83/15/613478315.db2.gz	GCCILINWAYDQPP-OAHLLOKOSA-N	-1	0	293.319	0.746	20	30		CCEDRM
C=C[C@H](C)O[N-]C(=O)C(=O)Nc1cc(C)[nH]c1C(=O)OC	ZINC000846152474	613483698	/nfs/dbraw/zinc/48/36/98/613483698.db2.gz	BBIJDVYAZWARDF-QMMMGPOBSA-N	-1	0	295.295	0.671	20	30		CCEDRM
C=C[C@H](C)O[N-]C(=O)CS(=O)(=O)N(CC)CC	ZINC000846543632	613484252	/nfs/dbraw/zinc/48/42/52/613484252.db2.gz	AJUGMQNOCAZISJ-VIFPVBQESA-N	-1	0	264.347	0.280	20	30		CCEDRM
C=C[C@H](C)O[N-]C(=O)c1[nH]c(=O)[nH]c(=O)c1OC	ZINC000846556177	613488510	/nfs/dbraw/zinc/48/85/10/613488510.db2.gz	YVSUSIJFVUOYMI-YFKPBYRVSA-N	-1	0	255.230	0.132	20	30		CCEDRM
C=C[C@H](C)O[N-]C(=O)[C@H]1C[C@H](O)CN1c1ccncn1	ZINC000824232516	613488598	/nfs/dbraw/zinc/48/85/98/613488598.db2.gz	JSWIBYUMPWXIAW-GARJFASQSA-N	-1	0	278.312	0.039	20	30		CCEDRM
C=C[C@H](O)C(=O)N(C)[C@@H](C(=O)[O-])c1cccc(OC)c1	ZINC000910775708	613493615	/nfs/dbraw/zinc/49/36/15/613493615.db2.gz	WROKEWOPDZOWIQ-NWDGAFQWSA-N	-1	0	279.292	0.826	20	30		CCEDRM
C=C[C@H](O)C(=O)N[C@@H]1C[C@H](C(=O)[O-])c2ccccc21	ZINC000910473191	613497099	/nfs/dbraw/zinc/49/70/99/613497099.db2.gz	HCZLOCRPBWJUMR-TUAOUCFPSA-N	-1	0	261.277	0.963	20	30		CCEDRM
C=C[C@](C)(O)C(=O)N[C@@H]1C[C@@H]2C[C@H](C(=O)[O-])C[C@H]12	ZINC000907956716	613508427	/nfs/dbraw/zinc/50/84/27/613508427.db2.gz	IZHLMPHGJSBXJJ-CDTLJBMASA-N	-1	0	253.298	0.539	20	30		CCEDRM
C=CCCO[N-]C(=O)[C@@H]1COCCN1CC(F)F	ZINC000856034020	613577085	/nfs/dbraw/zinc/57/70/85/613577085.db2.gz	ZQFTXHMBSGOWSX-VIFPVBQESA-N	-1	0	264.272	0.576	20	30		CCEDRM
C=CCCO[N-]C(=O)[C@H]1CC(c2cn(C)nc2C)=NO1	ZINC000825566113	613577288	/nfs/dbraw/zinc/57/72/88/613577288.db2.gz	PONJKAWZIMERTN-GFCCVEGCSA-N	-1	0	278.312	0.845	20	30		CCEDRM
C=CCCO[C@@H](C)C(=O)N1CCO[C@@](C)(C(=O)[O-])C1	ZINC000910321138	613577974	/nfs/dbraw/zinc/57/79/74/613577974.db2.gz	IZYHMYQLSIWCHY-GXFFZTMASA-N	-1	0	271.313	0.670	20	30		CCEDRM
C=CCCO[C@@H](C)C(=O)[N-]S(=O)(=O)CC1(C#N)CC1	ZINC000793198167	613578351	/nfs/dbraw/zinc/57/83/51/613578351.db2.gz	VSAAOQWVDJRFOZ-JTQLQIEISA-N	-1	0	286.353	0.717	20	30		CCEDRM
C=CCCO[C@H](C)C(=O)N1CC[N@H+](CCC(=O)[O-])C[C@@H]1C	ZINC000833373903	613578963	/nfs/dbraw/zinc/57/89/63/613578963.db2.gz	ILLRPZZIFMUZBC-QWHCGFSZSA-N	-1	0	298.383	0.975	20	30		CCEDRM
C=CCCS(=O)(=O)N1CC[C@H](CNC(=O)[O-])C1	ZINC000823500618	613581226	/nfs/dbraw/zinc/58/12/26/613581226.db2.gz	ILSDOXORXATKOG-SECBINFHSA-N	-1	0	262.331	0.482	20	30		CCEDRM
C=CCC[C@@H](CO)NC(=O)N[C@H]1C[C@H](C(=O)[O-])C1	ZINC000874427214	613583941	/nfs/dbraw/zinc/58/39/41/613583941.db2.gz	OQGKIUDBENYIHF-GUBZILKMSA-N	-1	0	256.302	0.476	20	30		CCEDRM
C=CCC[C@@H](CO)NC(=O)N[C@H]1C[C@@H](C(=O)[O-])C1	ZINC000874417671	613583979	/nfs/dbraw/zinc/58/39/79/613583979.db2.gz	OQGKIUDBENYIHF-LPEHRKFASA-N	-1	0	256.302	0.476	20	30		CCEDRM
C=CCC[C@H](NC(=O)CCc1cncnc1)C(=O)[O-]	ZINC000909712921	613589447	/nfs/dbraw/zinc/58/94/47/613589447.db2.gz	OFCRKEGEDLJNON-NSHDSACASA-N	-1	0	263.297	0.945	20	30		CCEDRM
C=CCC[C@H](NC(=O)N[C@@H](C)[C@@H]1CN(C)CCO1)C(=O)[O-]	ZINC000929049950	613589924	/nfs/dbraw/zinc/58/99/24/613589924.db2.gz	NQWXSCINHUIQAV-SRVKXCTJSA-N	-1	0	299.371	0.424	20	30		CCEDRM
C=CCCn1cc(C(=O)NC[C@H]2CCO[C@H]2C(=O)[O-])nn1	ZINC000864215131	613595056	/nfs/dbraw/zinc/59/50/56/613595056.db2.gz	BZFCIZQCZPUBEA-MWLCHTKSSA-N	-1	0	294.311	0.074	20	30		CCEDRM
C=CCN(C(=O)CCn1cc(C#N)c(=O)[n-]c1=O)C(C)C	ZINC000874351843	613604521	/nfs/dbraw/zinc/60/45/21/613604521.db2.gz	NGJHGBWGRVAZJW-UHFFFAOYSA-N	-1	0	290.323	0.634	20	30		CCEDRM
C=CCN(CC(=O)[O-])C(=O)NCCc1cncc(C)n1	ZINC000849238843	613642330	/nfs/dbraw/zinc/64/23/30/613642330.db2.gz	FYYFOYJKXNQXKC-UHFFFAOYSA-N	-1	0	278.312	0.610	20	30		CCEDRM
C=CCN(CC(=O)[O-])C(=O)NCc1csc(N(C)C)n1	ZINC000909019490	613642520	/nfs/dbraw/zinc/64/25/20/613642520.db2.gz	AFBXUBIHFMCKNF-UHFFFAOYSA-N	-1	0	298.368	0.991	20	30		CCEDRM
C=CCN(CC(=O)[O-])C(=O)NCC1(OC)CCOCC1	ZINC000797724140	613642774	/nfs/dbraw/zinc/64/27/74/613642774.db2.gz	DOSLJPDGCTZZRC-UHFFFAOYSA-N	-1	0	286.328	0.464	20	30		CCEDRM
C=CCN(CC(=O)[O-])C(=O)Cn1nc(C)c2cccnc21	ZINC000909516882	613642789	/nfs/dbraw/zinc/64/27/89/613642789.db2.gz	RFKWEVQJEDPPER-UHFFFAOYSA-N	-1	0	288.307	0.839	20	30		CCEDRM
C=CCN(CC(=O)[O-])C(=O)c1nnn(C(C)C)c1C	ZINC000909515130	613643628	/nfs/dbraw/zinc/64/36/28/613643628.db2.gz	QKGHHTUIZNGVAW-UHFFFAOYSA-N	-1	0	266.301	0.880	20	30		CCEDRM
C=CCN(CC(=O)[O-])C(=O)c1cn(C[C@H]2CCOC2)nn1	ZINC000909515608	613643708	/nfs/dbraw/zinc/64/37/08/613643708.db2.gz	ZZQYNPUOGYRVCK-SNVBAGLBSA-N	-1	0	294.311	0.027	20	30		CCEDRM
C=CCN(CC(=O)[O-])c1nccc(N2CCOCC2)n1	ZINC000910402927	613644097	/nfs/dbraw/zinc/64/40/97/613644097.db2.gz	WIAFZOGGYQXISY-UHFFFAOYSA-N	-1	0	278.312	0.390	20	30		CCEDRM
CC#CCS(=O)(=O)[N-]C(=O)CC1CCSCC1	ZINC000810776124	613645809	/nfs/dbraw/zinc/64/58/09/613645809.db2.gz	HDPLKLWOTUFVKF-UHFFFAOYSA-N	-1	0	275.395	0.989	20	30		CCEDRM
CC#CCS(=O)(=O)[N-]C(=O)CCc1cncs1	ZINC000816056159	613645931	/nfs/dbraw/zinc/64/59/31/613645931.db2.gz	HGKLYAWJIIENJG-UHFFFAOYSA-N	-1	0	272.351	0.545	20	30		CCEDRM
CC#CCS(=O)(=O)[N-]C(=O)Cc1cn(C)nc1Cl	ZINC000816056559	613646153	/nfs/dbraw/zinc/64/61/53/613646153.db2.gz	XVGVJUXQZKAOTP-UHFFFAOYSA-N	-1	0	289.744	0.085	20	30		CCEDRM
CC#CCS(=O)(=O)[N-]C(=O)[C@@H]1O[C@H](C)C[C@@H]1C	ZINC000810776918	613646572	/nfs/dbraw/zinc/64/65/72/613646572.db2.gz	NENXVCQZOLUIEL-IVZWLZJFSA-N	-1	0	259.327	0.269	20	30		CCEDRM
CC#CCS(=O)(=O)[N-]C(=O)[C@H](C)Oc1ccccc1	ZINC000810779053	613646945	/nfs/dbraw/zinc/64/69/45/613646945.db2.gz	WLNVJZQSPXQNQR-NSHDSACASA-N	-1	0	281.333	0.923	20	30		CCEDRM
C=CCN(CC=C)C(=O)CN1CC[C@H](OC)C[C@H]1C(=O)[O-]	ZINC000833375418	613647117	/nfs/dbraw/zinc/64/71/17/613647117.db2.gz	WKGHBGTZCRDOBP-STQMWFEESA-N	-1	0	296.367	0.751	20	30		CCEDRM
CC#CCS(=O)(=O)[N-]C(=O)c1c(C)noc1C1CC1	ZINC000810773059	613647484	/nfs/dbraw/zinc/64/74/84/613647484.db2.gz	PVDDHQFWQYYPHR-UHFFFAOYSA-N	-1	0	282.321	0.943	20	30		CCEDRM
CC#CCS(=O)(=O)[N-]C(=O)c1ccc(C(=O)OC)cc1	ZINC000791111678	613647521	/nfs/dbraw/zinc/64/75/21/613647521.db2.gz	WNINLSVKJMPARR-UHFFFAOYSA-N	-1	0	295.316	0.556	20	30		CCEDRM
CC#CCS(=O)(=O)[N-]C(=O)c1c(C)nn2cccnc12	ZINC000810771150	613647629	/nfs/dbraw/zinc/64/76/29/613647629.db2.gz	HCOUSGQORMIADV-UHFFFAOYSA-N	-1	0	292.320	0.121	20	30		CCEDRM
CC#CCS(=O)(=O)[N-]C(=O)c1coc(C2CC2)n1	ZINC000810776401	613648011	/nfs/dbraw/zinc/64/80/11/613648011.db2.gz	ROLWISQYVMUZCM-UHFFFAOYSA-N	-1	0	268.294	0.635	20	30		CCEDRM
CC(N=NC1=NCC(=O)N1)[C@@H]1C[C@H](CC(=O)[O-])C1(C)C	ZINC000863177795	613653854	/nfs/dbraw/zinc/65/38/54/613653854.db2.gz	WQOMMOCJQZUMOF-BDAKNGLRSA-N	-1	0	280.328	0.575	20	30		CCEDRM
CC(=NNCC(=O)[O-])c1cccc(S(=O)(=O)N(C)C)c1	ZINC000814958973	613654507	/nfs/dbraw/zinc/65/45/07/613654507.db2.gz	DAEIYNYYJRFWMU-UHFFFAOYSA-N	-1	0	299.352	0.335	20	30		CCEDRM
CC(=NNCCC(=O)[O-])c1cccc(NS(C)(=O)=O)c1	ZINC000819726870	613655065	/nfs/dbraw/zinc/65/50/65/613655065.db2.gz	VGOCMASPJBZYLI-UHFFFAOYSA-N	-1	0	299.352	0.846	20	30		CCEDRM
CC(=NN[C@H](C)CO)c1ccc(-c2nn[nH]n2)c(F)c1	ZINC000823954070	613656513	/nfs/dbraw/zinc/65/65/13/613656513.db2.gz	YAQFHTLXCZNOEQ-SSDOTTSWSA-N	-1	0	278.291	0.700	20	30		CCEDRM
CC(=O)C1=C(C(=O)[O-])NC(=S)N[C@@H]1c1scnc1C	ZINC000825813158	613663978	/nfs/dbraw/zinc/66/39/78/613663978.db2.gz	HBCANLUAXQWNSV-ZETCQYMHSA-N	-1	0	297.361	0.898	20	30		CCEDRM
CC(=O)CCCC(=O)[N-]S(=O)(=O)CC(C)(C)C#N	ZINC000755839256	613670718	/nfs/dbraw/zinc/67/07/18/613670718.db2.gz	SOBCTRIDUVUURE-UHFFFAOYSA-N	-1	0	274.342	0.741	20	30		CCEDRM
CC(=O)N(C)C1CCN(C(=O)[C@](C)(C#N)CC(=O)[O-])CC1	ZINC000819726237	613685603	/nfs/dbraw/zinc/68/56/03/613685603.db2.gz	DARZTOJOTWSMDX-AWEZNQCLSA-N	-1	0	295.339	0.460	20	30		CCEDRM
C=CCNC(=O)C(=O)Nc1ccc(C)cc1C(=O)[O-]	ZINC000833376753	613844951	/nfs/dbraw/zinc/84/49/51/613844951.db2.gz	AQRULFNMKWDYAH-UHFFFAOYSA-N	-1	0	262.265	0.934	20	30		CCEDRM
C=CCNC(=O)COC(=O)[C@H]1CC[C@@H](NC(=O)[O-])C1	ZINC000823506407	613848313	/nfs/dbraw/zinc/84/83/13/613848313.db2.gz	HHHQXWQLZXWCNS-DTWKUNHWSA-N	-1	0	270.285	0.268	20	30		CCEDRM
C=CCNC(=O)C(C#N)=C([O-])c1ccc(OC)nc1	ZINC000916917312	613854931	/nfs/dbraw/zinc/85/49/31/613854931.db2.gz	IGEXOKHCQLHDHJ-SNVBAGLBSA-N	-1	0	259.265	0.715	20	30		CCEDRM
C=CCNc1ncc(C(=O)N[C@@H](COC)C(=O)[O-])s1	ZINC000833375730	613876821	/nfs/dbraw/zinc/87/68/21/613876821.db2.gz	JYRDEHIWRFNXTD-ZETCQYMHSA-N	-1	0	285.325	0.570	20	30		CCEDRM
C=CCOCC(=O)N[C@H](c1nc(=O)o[n-]1)C(C)(C)C	ZINC000911587975	613879560	/nfs/dbraw/zinc/87/95/60/613879560.db2.gz	XYIPWTVNDWUHCA-SECBINFHSA-N	-1	0	269.301	0.769	20	30		CCEDRM
C=CCOCCCC(=O)N1CC([C@H](F)C(=O)[O-])C1	ZINC000910135955	613879593	/nfs/dbraw/zinc/87/95/93/613879593.db2.gz	WWPIVXMRQBHUTR-NSHDSACASA-N	-1	0	259.277	0.850	20	30		CCEDRM
C=CCOCCCC(=O)N1CC[C@@](COC)(C(=O)[O-])C1	ZINC000902310399	613879651	/nfs/dbraw/zinc/87/96/51/613879651.db2.gz	CWPJKPWBDNQUNJ-CQSZACIVSA-N	-1	0	285.340	0.919	20	30		CCEDRM
C=CCOCCNC(=O)[C@H]1CO[C@@H](CCC(=O)[O-])C1	ZINC000902077212	613881058	/nfs/dbraw/zinc/88/10/58/613881058.db2.gz	MOSWCEJBJFWCAG-MNOVXSKESA-N	-1	0	271.313	0.575	20	30		CCEDRM
C=CCOC[C@@H](NC(=O)Cn1ccnc1C(C)C)C(=O)[O-]	ZINC000909771329	613881654	/nfs/dbraw/zinc/88/16/54/613881654.db2.gz	NFERGZXXCDJXBR-LLVKDONJSA-N	-1	0	295.339	0.779	20	30		CCEDRM
C=CCOC[C@@H](NC(=O)NC[C@H](C)C1CC1)C(=O)[O-]	ZINC000908894637	613881679	/nfs/dbraw/zinc/88/16/79/613881679.db2.gz	VSHCGZGSKQWGJU-GXSJLCMTSA-N	-1	0	270.329	0.988	20	30		CCEDRM
C=CCOC[C@@H](NC(=O)c1cnn(C)c1CC)C(=O)[O-]	ZINC000909771866	613881869	/nfs/dbraw/zinc/88/18/69/613881869.db2.gz	SKGUSYZNIQHQMT-SNVBAGLBSA-N	-1	0	281.312	0.368	20	30		CCEDRM
C=CCOC[C@@H](NC(=O)[C@](C)(CC)OC)C(=O)[O-]	ZINC000909769718	613881870	/nfs/dbraw/zinc/88/18/70/613881870.db2.gz	BJZAXFJBIJDZSS-SKDRFNHKSA-N	-1	0	259.302	0.574	20	30		CCEDRM
C=CCOC[C@@H](NCc1cc2c(cn1)OCCO2)C(=O)[O-]	ZINC000901809394	613882002	/nfs/dbraw/zinc/88/20/02/613882002.db2.gz	DCBVCXXSUDXPST-LLVKDONJSA-N	-1	0	294.307	0.598	20	30		CCEDRM
C=CCOC[C@H](NC(=O)C1(O)CCCC1)C(=O)[O-]	ZINC000909771130	613882208	/nfs/dbraw/zinc/88/22/08/613882208.db2.gz	MYJRIQQBYOVBDP-VIFPVBQESA-N	-1	0	257.286	0.064	20	30		CCEDRM
C=CCOC[C@H](NC(=O)C[C@H]1CCCOC1)C(=O)[O-]	ZINC000909769173	613882400	/nfs/dbraw/zinc/88/24/00/613882400.db2.gz	BLTFQWYKEOURPE-MNOVXSKESA-N	-1	0	271.313	0.575	20	30		CCEDRM
C=CCOC[C@H](NC(=O)c1cc2n(n1)CCC2)C(=O)[O-]	ZINC000909772997	613882678	/nfs/dbraw/zinc/88/26/78/613882678.db2.gz	ZTRRBPLWSPFLRB-NSHDSACASA-N	-1	0	279.296	0.215	20	30		CCEDRM
C=CCO[N-]C(=O)COCc1ccnc(OC)c1	ZINC000861924880	613883094	/nfs/dbraw/zinc/88/30/94/613883094.db2.gz	WMIYYCMZYFMNPU-UHFFFAOYSA-N	-1	0	252.270	0.841	20	30		CCEDRM
C=CCO[N-]C(=O)CNS(=O)(=O)c1ccc(C)c(C)c1	ZINC000839789028	613883150	/nfs/dbraw/zinc/88/31/50/613883150.db2.gz	PAJBSQXLWJPMAW-UHFFFAOYSA-N	-1	0	298.364	0.816	20	30		CCEDRM
C=CCO[N-]C(=O)[C@@](C)(O)Cn1ccc(C)cc1=O	ZINC000837047505	613884363	/nfs/dbraw/zinc/88/43/63/613884363.db2.gz	BARIFKZDNZUWOP-ZDUSSCGKSA-N	-1	0	266.297	0.142	20	30		CCEDRM
C=CCOc1cccnc1C(=O)N1CC[C@@](O)(C(=O)[O-])C1	ZINC000910528829	613884783	/nfs/dbraw/zinc/88/47/83/613884783.db2.gz	ZSOMWOYTGCIBIN-AWEZNQCLSA-N	-1	0	292.291	0.308	20	30		CCEDRM
C=CCS(=O)(=O)[N-]C(=O)Cc1ncccc1OC	ZINC000810643631	613886176	/nfs/dbraw/zinc/88/61/76/613886176.db2.gz	MJXMNZMGDLBNLR-UHFFFAOYSA-N	-1	0	270.310	0.265	20	30		CCEDRM
C=CCS(=O)(=O)[N-]C(=O)c1ccnn1CC(C)C	ZINC000842747543	613886288	/nfs/dbraw/zinc/88/62/88/613886288.db2.gz	KIYZALBLPPPQJB-UHFFFAOYSA-N	-1	0	271.342	0.785	20	30		CCEDRM
C=CCS(=O)(=O)[N-]C(=O)c1cc(Cl)n(C)n1	ZINC000835253627	613886370	/nfs/dbraw/zinc/88/63/70/613886370.db2.gz	PSJOVDZMNKQAJZ-UHFFFAOYSA-N	-1	0	263.706	0.319	20	30		CCEDRM
CC(C)NC(=O)C(C#N)=C([O-])c1cc2n(n1)CCO2	ZINC000810533750	613930594	/nfs/dbraw/zinc/93/05/94/613930594.db2.gz	VEYVJNLWDZRASS-QMMMGPOBSA-N	-1	0	262.269	0.123	20	30		CCEDRM
CC(C)(C)OC(=O)CNC(=O)[C@](C)(C#N)CC(=O)[O-]	ZINC000819915074	613966759	/nfs/dbraw/zinc/96/67/59/613966759.db2.gz	SYYXIRHJIAXMSC-LBPRGKRZSA-N	-1	0	270.285	0.449	20	30		CCEDRM
CC(C)OCCCNC(=O)C(C#N)=C([O-])c1ncn(C)n1	ZINC000810527355	614012675	/nfs/dbraw/zinc/01/26/75/614012675.db2.gz	KPUHWEHIIYVDJJ-SNVBAGLBSA-N	-1	0	293.327	0.069	20	30		CCEDRM
CC(C)OC[C@H](C(=O)[O-])N(C)C(=O)c1c[nH]c(C#N)c1	ZINC000833503805	614032629	/nfs/dbraw/zinc/03/26/29/614032629.db2.gz	JDYWHNOYKNUWAT-LLVKDONJSA-N	-1	0	279.296	0.837	20	30		CCEDRM
CC(C)(C)[C@H](C#N)NC(=O)[C@@H]1CN(C(=O)[O-])CCO1	ZINC000823754280	614032752	/nfs/dbraw/zinc/03/27/52/614032752.db2.gz	GJNULCYZFWRWLM-IUCAKERBSA-N	-1	0	269.301	0.420	20	30		CCEDRM
CC(C)(C)n1cnc(NC(=O)[C@](C)(C#N)CC(=O)[O-])n1	ZINC000819864762	614065055	/nfs/dbraw/zinc/06/50/55/614065055.db2.gz	DEYYEGXEEOMODW-LBPRGKRZSA-N	-1	0	279.300	0.976	20	30		CCEDRM
CC(C)(CC(=O)N1CCN(CC#N)CC1)NC(=O)[O-]	ZINC000823881080	614076920	/nfs/dbraw/zinc/07/69/20/614076920.db2.gz	AXPGDRIATDGIBD-UHFFFAOYSA-N	-1	0	268.317	0.090	20	30		CCEDRM
CC(C)(CC(=O)[O-])CC(=O)N1CCOC[C@@H]1C#N	ZINC000833452935	614079097	/nfs/dbraw/zinc/07/90/97/614079097.db2.gz	ZJWGXCASWJOFMW-VIFPVBQESA-N	-1	0	254.286	0.628	20	30		CCEDRM
CC(C)[C@@H](CCO)NC(=O)[C@](C)(C#N)CC(=O)[O-]	ZINC000819955317	614093954	/nfs/dbraw/zinc/09/39/54/614093954.db2.gz	RZFZJVCSPSEEHN-SKDRFNHKSA-N	-1	0	256.302	0.514	20	30		CCEDRM
CC(C)C[C@@H](C#N)NC(=O)C[C@H]1CN(C(=O)[O-])CCO1	ZINC000824170881	614179969	/nfs/dbraw/zinc/17/99/69/614179969.db2.gz	UDABRHHDJJCASB-QWRGUYRKSA-N	-1	0	283.328	0.810	20	30		CCEDRM
CC(=O)c1ccc(C(=O)[N-]S(=O)(=O)CCC#N)cc1	ZINC000821582568	614252585	/nfs/dbraw/zinc/25/25/85/614252585.db2.gz	QLGPOKRJDVTZAE-UHFFFAOYSA-N	-1	0	280.305	0.862	20	30		CCEDRM
CC(C)n1nccc1C(=O)N1CCN(C(=O)[O-])C[C@H]1C#N	ZINC000824535159	614371505	/nfs/dbraw/zinc/37/15/05/614371505.db2.gz	VOEIWFXKQXATAE-SNVBAGLBSA-N	-1	0	291.311	0.792	20	30		CCEDRM
CCC1(O)CCN(C(=O)[C@](C)(C#N)CC(=O)[O-])CC1	ZINC000820291085	614708561	/nfs/dbraw/zinc/70/85/61/614708561.db2.gz	YTTMEZOEDVGGGV-LBPRGKRZSA-N	-1	0	268.313	0.754	20	30		CCEDRM
CC1(C)CO[C@@H](CC(=O)[N-]S(=O)(=O)CCCC#N)C1	ZINC000892926899	614722592	/nfs/dbraw/zinc/72/25/92/614722592.db2.gz	ZYFGVDGGQULETC-JTQLQIEISA-N	-1	0	288.369	0.941	20	30		CCEDRM
CC1(C)OC[C@@H]2C[C@@]21C(=O)[N-]S(=O)(=O)CC1(C#N)CC1	ZINC000850940249	614829446	/nfs/dbraw/zinc/82/94/46/614829446.db2.gz	KFHFNYKRWFTQSA-ZANVPECISA-N	-1	0	298.364	0.551	20	30		CCEDRM
CCN(CC#N)C(=O)CO[C@@H]1CCCN(C(=O)[O-])C1	ZINC000826992198	614923348	/nfs/dbraw/zinc/92/33/48/614923348.db2.gz	DEYVKQMZZIXHCI-SNVBAGLBSA-N	-1	0	269.301	0.517	20	30		CCEDRM
C[C@](C#N)(CC(=O)[O-])C(=O)N1CCC(C)(O)CC1	ZINC000820214974	614931183	/nfs/dbraw/zinc/93/11/83/614931183.db2.gz	NKMCGINTBUUHIV-LLVKDONJSA-N	-1	0	254.286	0.364	20	30		CCEDRM
CCCCC[C@H](NS(=O)(=O)N(C)CCC#N)C(=O)[O-]	ZINC000829339966	614938933	/nfs/dbraw/zinc/93/89/33/614938933.db2.gz	MRYQAFAPTXUNEG-JTQLQIEISA-N	-1	0	291.373	0.700	20	30		CCEDRM
CCN(CCC#N)C(=O)CN(CC(=O)[O-])C1CC1	ZINC000829692504	615021330	/nfs/dbraw/zinc/02/13/30/615021330.db2.gz	KADSBBXFIOUANN-UHFFFAOYSA-N	-1	0	253.302	0.298	20	30		CCEDRM
CCN(CCCNC(=O)Cc1noc(C)c1C#N)C(=O)[O-]	ZINC000833858599	615042994	/nfs/dbraw/zinc/04/29/94/615042994.db2.gz	KPNSFAPEAXEDJI-UHFFFAOYSA-N	-1	0	294.311	0.903	20	30		CCEDRM
CCOC(=O)C(C)(C)CC(=O)N[C@H]1CCCN(O)C1=O	ZINC000848133464	615150338	/nfs/dbraw/zinc/15/03/38/615150338.db2.gz	ZCWSGIXHPMSDDT-VIFPVBQESA-N	-1	0	286.328	0.462	20	30		CCEDRM
CCOC[C@H](C(=O)[O-])N(C)S(=O)(=O)CCCCC#N	ZINC000829978946	615313552	/nfs/dbraw/zinc/31/35/52/615313552.db2.gz	UGJHZJKRMJFSTK-SNVBAGLBSA-N	-1	0	292.357	0.432	20	30		CCEDRM
CCOC(=O)[C@H](C)NC(=O)[C@](C)(C#N)CC(=O)[O-]	ZINC000820360833	615343087	/nfs/dbraw/zinc/34/30/87/615343087.db2.gz	GZXHVDYZXPOAPA-CPCISQLKSA-N	-1	0	256.258	0.059	20	30		CCEDRM
CCO[N-]C(=O)CNC(=O)N[C@H](C)c1ccc(C#N)cc1	ZINC000844520788	615366645	/nfs/dbraw/zinc/36/66/45/615366645.db2.gz	ZYDYFCSNCIVAKN-SNVBAGLBSA-N	-1	0	290.323	0.986	20	30		CCEDRM
CCO[N-]C(=O)CNC(=O)Nc1cc(C)n(CCC#N)n1	ZINC000844600229	615367325	/nfs/dbraw/zinc/36/73/25/615367325.db2.gz	HJYLNWPMUQYMFF-UHFFFAOYSA-N	-1	0	294.315	0.294	20	30		CCEDRM
CCO[N-]C(=O)CNS(=O)(=O)Cc1ccc(C#N)cc1	ZINC000846003155	615375515	/nfs/dbraw/zinc/37/55/15/615375515.db2.gz	XORLEOYSEVTAEC-UHFFFAOYSA-N	-1	0	297.336	0.045	20	30		CCEDRM
CC[C@@H](C(=O)[O-])N(C)C(=O)Cc1ccc(C#N)nc1	ZINC000902018239	615389474	/nfs/dbraw/zinc/38/94/74/615389474.db2.gz	ALLMCTHNKGJHAA-NSHDSACASA-N	-1	0	261.281	0.817	20	30		CCEDRM
CCOc1cc(C=Nn2c(=O)[n-][nH]c2=O)ccc1O	ZINC000814231484	615507438	/nfs/dbraw/zinc/50/74/38/615507438.db2.gz	HAPZKZNMRMJAFC-UHFFFAOYSA-N	-1	0	264.241	0.676	20	30		CCEDRM
CC[C@@H](NC(=O)COc1cccc(C#N)c1)C(=O)[O-]	ZINC000818285853	615526433	/nfs/dbraw/zinc/52/64/33/615526433.db2.gz	ZNKWZNMVBYBBAQ-LLVKDONJSA-N	-1	0	262.265	0.916	20	30		CCEDRM
CC[C@@H]1CN(C(=O)[C@](C)(C#N)CC(=O)[O-])C[C@@H]1O	ZINC000820297292	615560625	/nfs/dbraw/zinc/56/06/25/615560625.db2.gz	SCVFSLMODIJTEN-PTRXPTGYSA-N	-1	0	254.286	0.220	20	30		CCEDRM
CCn1ncc(C=CC([O-])=C2C(=O)C=C(C)OC2=O)n1	ZINC000901416779	615675916	/nfs/dbraw/zinc/67/59/16/615675916.db2.gz	IYXBMUDCMSKILL-ITKZLYELSA-N	-1	0	275.264	0.526	20	30		CCEDRM
CCn1ncc(C(=O)[N-]S(=O)(=O)CC2(C#N)CCC2)n1	ZINC000816025875	615687362	/nfs/dbraw/zinc/68/73/62/615687362.db2.gz	FMTJUOWRQGBDCY-UHFFFAOYSA-N	-1	0	297.340	0.051	20	30		CCEDRM
CCn1ncn(N=Cc2cccc(C(=O)[O-])c2)c1=O	ZINC000814940758	615729654	/nfs/dbraw/zinc/72/96/54/615729654.db2.gz	XDDLLDMSNKMNBD-UHFFFAOYSA-N	-1	0	260.253	0.645	20	30		CCEDRM
CC[C@H](NC(=O)[O-])C(=O)N(CCC#N)CCOC	ZINC000827513854	615803937	/nfs/dbraw/zinc/80/39/37/615803937.db2.gz	HHOZTNCXOADGQP-VIFPVBQESA-N	-1	0	257.290	0.421	20	30		CCEDRM
CC[C@H](NC(=O)[O-])C(=O)OCC(=O)N[C@](C)(C#N)C1CC1	ZINC000827538691	615805575	/nfs/dbraw/zinc/80/55/75/615805575.db2.gz	HNSVBQGDELTQDX-TVQRCGJNSA-N	-1	0	297.311	0.384	20	30		CCEDRM
CN(C(=O)CSCC#N)[C@@H]1CCN(C(=O)[O-])C1	ZINC000827774539	615819305	/nfs/dbraw/zinc/81/93/05/615819305.db2.gz	KLVDAVRHZBIMKJ-MRVPVSSYSA-N	-1	0	257.315	0.454	20	30		CCEDRM
CC[C@H](NS(=O)(=O)Cc1ccccc1C#N)C(=O)[O-]	ZINC000035098150	615820546	/nfs/dbraw/zinc/82/05/46/615820546.db2.gz	CFOIDKSYNSFPMZ-NSHDSACASA-N	-1	0	282.321	0.841	20	30		CCEDRM
CN(C(=O)[O-])[C@H]1CCN(C(=O)C2(C#N)CCOCC2)C1	ZINC000827835887	615844905	/nfs/dbraw/zinc/84/49/05/615844905.db2.gz	SIJSXDXXWRFDGK-JTQLQIEISA-N	-1	0	281.312	0.517	20	30		CCEDRM
CC[C@H](OC(=O)CCNC(=O)C1N=CC=CC1=O)C(=O)[O-]	ZINC000833646115	615844956	/nfs/dbraw/zinc/84/49/56/615844956.db2.gz	UCVVLCJQNHFDIV-ASGQQMQCSA-N	-1	0	296.279	0.309	20	30		CCEDRM
CCn1[n-]nnc1=NC(=O)N(C)[C@H]1CCC[C@@H]1C#N	ZINC000888319588	615910688	/nfs/dbraw/zinc/91/06/88/615910688.db2.gz	GXVSSNBEVRCDNA-BDAKNGLRSA-N	-1	0	263.305	0.271	20	30		CCEDRM
CCn1[n-]nnc1=NC(=O)c1ccc(C#N)cc1C	ZINC000891340458	615916879	/nfs/dbraw/zinc/91/68/79/615916879.db2.gz	PZDFDEKAUFOQRM-UHFFFAOYSA-N	-1	0	256.269	0.547	20	30		CCEDRM
CN(CC(=O)NCC(=O)[O-])Cc1cccc(C#N)c1	ZINC000820562728	616046840	/nfs/dbraw/zinc/04/68/40/616046840.db2.gz	TZUFDAQYZUCNIG-UHFFFAOYSA-N	-1	0	261.281	0.191	20	30		CCEDRM
CN(CCC#N)C(=O)CO[C@H]1CCCN(C(=O)[O-])C1	ZINC000828272589	616067461	/nfs/dbraw/zinc/06/74/61/616067461.db2.gz	GBFNAXCROKDMKE-JTQLQIEISA-N	-1	0	269.301	0.517	20	30		CCEDRM
CN1C(=O)CCC[C@H]1C(=O)[N-]Oc1cccc(C#N)c1	ZINC000913667117	616125723	/nfs/dbraw/zinc/12/57/23/616125723.db2.gz	VZLUCILJCUKXON-LBPRGKRZSA-N	-1	0	273.292	0.979	20	30		CCEDRM
COCCN1CCN(C(=O)[C@@](C)(C#N)CC(=O)[O-])C[C@@H]1C	ZINC000820730701	616364789	/nfs/dbraw/zinc/36/47/89/616364789.db2.gz	YIDJICWNDFGWBS-SMDDNHRTSA-N	-1	0	297.355	0.170	20	30		CCEDRM
COC1(C(=O)N[C@@H]2CCC[C@H]2C#N)CCN(C(=O)[O-])CC1	ZINC000828855549	616426472	/nfs/dbraw/zinc/42/64/72/616426472.db2.gz	DADVDWFFJAPMNR-WDEREUQCSA-N	-1	0	295.339	0.954	20	30		CCEDRM
COC1(C(=O)[O-])CCN(S(=O)(=O)CCCC#N)CC1	ZINC000819097192	616430608	/nfs/dbraw/zinc/43/06/08/616430608.db2.gz	RXSQZNMMOUTWDP-UHFFFAOYSA-N	-1	0	290.341	0.186	20	30		CCEDRM
COCCNC(=O)C(C#N)=C([O-])c1ccsc1COC	ZINC000870138362	616492390	/nfs/dbraw/zinc/49/23/90/616492390.db2.gz	KLHKOEDWCLFFHF-JTQLQIEISA-N	-1	0	296.348	0.980	20	30		CCEDRM
COCCNC(=O)C(C#N)=C([O-])c1cc(C)cnc1F	ZINC000870136146	616496587	/nfs/dbraw/zinc/49/65/87/616496587.db2.gz	IFEWIWGNJTYPCZ-SNVBAGLBSA-N	-1	0	279.271	0.614	20	30		CCEDRM
CNC(=O)C1(C(=O)[N-]Oc2cccc(C#N)c2)CCC1	ZINC000870692427	616541211	/nfs/dbraw/zinc/54/12/11/616541211.db2.gz	DDJZHOMNIIPEQS-UHFFFAOYSA-N	-1	0	273.292	0.885	20	30		CCEDRM
COC(=O)[C@H](C)S(=O)(=O)[N-]C(=O)CCCCCC#N	ZINC000805916415	616587269	/nfs/dbraw/zinc/58/72/69/616587269.db2.gz	XVLPZQPIEYSNKS-VIFPVBQESA-N	-1	0	290.341	0.468	20	30		CCEDRM
COC(=O)[C@H](CC(=O)[O-])NC(=O)Cc1cccc(C#N)c1	ZINC000831067309	616589034	/nfs/dbraw/zinc/58/90/34/616589034.db2.gz	OOPOHMFUFMCGCE-NSHDSACASA-N	-1	0	290.275	0.233	20	30		CCEDRM
COC[C@H](C)S(=O)(=O)[N-]C(=O)c1ncc(C#N)cc1C	ZINC000815948456	616630250	/nfs/dbraw/zinc/63/02/50/616630250.db2.gz	KPALAFPCXRFVSF-VIFPVBQESA-N	-1	0	297.336	0.356	20	30		CCEDRM
COC[C@@H](C#N)OC(=O)[C@H](Cc1ccccc1)NC(=O)[O-]	ZINC000833882369	616774952	/nfs/dbraw/zinc/77/49/52/616774952.db2.gz	LZGYWCPPOKXVFF-NEPJUHHUSA-N	-1	0	292.291	0.947	20	30		CCEDRM
CNC(=O)C(C#N)=C([O-])c1ccc2c(c1)CCN2C(C)=O	ZINC000917001995	616776891	/nfs/dbraw/zinc/77/68/91/616776891.db2.gz	DTGIJTMCMMFJJI-LBPRGKRZSA-N	-1	0	285.303	0.664	20	30		CCEDRM
CNC(=O)C(C#N)=C([O-])c1ccnc2ccncc21	ZINC000810534508	616778049	/nfs/dbraw/zinc/77/80/49/616778049.db2.gz	UYDCQIFQTWOSFR-VIFPVBQESA-N	-1	0	254.249	0.698	20	30		CCEDRM
CNC(=O)C(C#N)=C([O-])c1ccc2c(c1)N(C)CCO2	ZINC000892518550	616778180	/nfs/dbraw/zinc/77/81/80/616778180.db2.gz	XRAWVUPGUBULCE-JTQLQIEISA-N	-1	0	273.292	0.584	20	30		CCEDRM
COC[C@](C)(NC(=O)Cc1ccccc1CC#N)C(=O)[O-]	ZINC000833722081	616829010	/nfs/dbraw/zinc/82/90/10/616829010.db2.gz	ZFEVVKRQKPDNLL-HNNXBMFYSA-N	-1	0	290.319	0.901	20	30		CCEDRM
COC[C@](C)(NC(=O)c1c[nH]c(C#N)c1)C(=O)[O-]	ZINC000833720708	616831537	/nfs/dbraw/zinc/83/15/37/616831537.db2.gz	CUYFVWKCXQKXQV-NSHDSACASA-N	-1	0	251.242	0.106	20	30		CCEDRM
CNC(=O)C(C#N)=C([O-])c1cn(-c2cccc(C)c2)nn1	ZINC000102121534	616839444	/nfs/dbraw/zinc/83/94/44/616839444.db2.gz	CCFVMAPFNISXPY-LLVKDONJSA-N	-1	0	283.291	0.644	20	30		CCEDRM
CNC(=O)C(C#N)=C([O-])c1cc(OC)c2c(c1)OCCO2	ZINC000917002259	616839793	/nfs/dbraw/zinc/83/97/93/616839793.db2.gz	FUKATMXEOMRTOG-SECBINFHSA-N	-1	0	290.275	0.535	20	30		CCEDRM
CNC(=S)N(C)N=Cc1ccccc1OCC(=O)[O-]	ZINC000841648497	616928063	/nfs/dbraw/zinc/92/80/63/616928063.db2.gz	LQXZXEILBYANTQ-UHFFFAOYSA-N	-1	0	281.337	0.920	20	30		CCEDRM
COC[C@@H]1CCCN(C(=O)[C@](C)(C#N)CC(=O)[O-])C1	ZINC000820715275	616940522	/nfs/dbraw/zinc/94/05/22/616940522.db2.gz	SFDGWGCVIZLYDH-MFKMUULPSA-N	-1	0	268.313	0.876	20	30		CCEDRM
COCCN(CC(=O)O[C@H](C#N)C(C)C)C(=O)[O-]	ZINC000828979970	616987652	/nfs/dbraw/zinc/98/76/52/616987652.db2.gz	PPWKWHRSZAQNKW-SECBINFHSA-N	-1	0	258.274	0.704	20	30		CCEDRM
COC[C@@](C)(C#N)NC(=O)CC[C@H]1CCN(C(=O)[O-])C1	ZINC000833882549	617011360	/nfs/dbraw/zinc/01/13/60/617011360.db2.gz	OFIWJDNYWSBUEM-GXFFZTMASA-N	-1	0	283.328	0.811	20	30		CCEDRM
COC[C@@](C)(C#N)NC(=O)c1ccnc(C(=O)[O-])c1	ZINC000831540833	617011939	/nfs/dbraw/zinc/01/19/39/617011939.db2.gz	FFGMUUVADXPTPL-GFCCVEGCSA-N	-1	0	263.253	0.438	20	30		CCEDRM
COC[C@@](C)(CC(=O)[O-])NC(=O)c1ccc(C#N)nc1	ZINC000831563307	617013044	/nfs/dbraw/zinc/01/30/44/617013044.db2.gz	BDTGBBOPADMEOL-CYBMUJFWSA-N	-1	0	277.280	0.563	20	30		CCEDRM
CNc1ccc(C(=O)[N-]S(C)(=O)=O)cc1[N+](=O)[O-]	ZINC000042280638	617061755	/nfs/dbraw/zinc/06/17/55/617061755.db2.gz	WBHLAIVFLUACJH-UHFFFAOYSA-N	-1	0	273.270	0.901	20	30		CCEDRM
CO[C@H](CC(C)C)C(=O)[N-]S(=O)(=O)CCCC#N	ZINC000842327876	617081753	/nfs/dbraw/zinc/08/17/53/617081753.db2.gz	AQQMWGVDMZVDOP-SNVBAGLBSA-N	-1	0	276.358	0.797	20	30		CCEDRM
CO[N-]C(=O)CNC(=O)C(C)(C)c1cc(F)cc(C#N)c1	ZINC000832753431	617109755	/nfs/dbraw/zinc/10/97/55/617109755.db2.gz	NWKAVAWXHFIAIK-UHFFFAOYSA-N	-1	0	293.298	0.769	20	30		CCEDRM
CO[C@@H](C(=O)[O-])C(=O)N[C@H]1Cc2ccc(C#N)cc2C1	ZINC000902545781	617129019	/nfs/dbraw/zinc/12/90/19/617129019.db2.gz	LLBMCZLBIVVSOI-NWDGAFQWSA-N	-1	0	274.276	0.241	20	30		CCEDRM
CC[C@@H](NN=Cc1c(Br)cnn1C)C(=O)[O-]	ZINC000309332385	625361740	/nfs/dbraw/zinc/36/17/40/625361740.db2.gz	ICPXHKGQRGJZKQ-SSDOTTSWSA-N	-1	0	289.133	0.969	20	30		CCEDRM
N#CC(C(=O)NC1CC1)=C([O-])c1cccn2nccc12	ZINC000892496026	623372543	/nfs/dbraw/zinc/37/25/43/623372543.db2.gz	ITMJFOWHSMTXDY-NSHDSACASA-N	-1	0	268.276	0.935	20	30		CCEDRM
Cn1[n-]c(C(=O)NCC#C[C@@H]2CCCCO2)cc1=O	ZINC000891117543	624730788	/nfs/dbraw/zinc/73/07/88/624730788.db2.gz	WMSBKOXHFCZGDR-JTQLQIEISA-N	-1	0	263.297	0.428	20	30		CCEDRM
C=CCN(CC(=O)[O-])C(=O)c1cn(-c2ccccc2)nn1	ZINC000092462905	624850999	/nfs/dbraw/zinc/85/09/99/624850999.db2.gz	QMYASORBCUXJAW-UHFFFAOYSA-N	-1	0	286.291	0.980	20	30		CCEDRM
CC(C)NC(=O)C(C#N)=C([O-])c1cc(C#N)cn1C	ZINC000176096301	624996606	/nfs/dbraw/zinc/99/66/06/624996606.db2.gz	IGRMJAYVARHQAK-SNVBAGLBSA-N	-1	0	258.281	0.744	20	30		CCEDRM
N#CC[C@H](NC(=O)C[C@]1(C(=O)[O-])CCOC1)C(F)(F)F	ZINC000905130609	634805857	/nfs/dbraw/zinc/80/58/57/634805857.db2.gz	YBFXYMWCOIIFLH-OIBJUYFYSA-N	-1	0	294.229	0.829	20	30		CCEDRM
CC(=O)N[C@H](C(=O)[N-]S(C)(=O)=O)C1CCCC1	ZINC000075796917	630852713	/nfs/dbraw/zinc/85/27/13/630852713.db2.gz	OBMRMMLYSSDQFK-VIFPVBQESA-N	-1	0	262.331	0.597	20	30		CCEDRM
COCCNC(=O)C(C#N)=C([O-])c1nc(C)sc1C	ZINC000178705958	631524806	/nfs/dbraw/zinc/52/48/06/631524806.db2.gz	KCAYTLOYNNNKIQ-VIFPVBQESA-N	-1	0	281.337	0.845	20	30		CCEDRM
Cn1cc(C(=O)[N-]S(=O)(=O)N2CCCCC2)cn1	ZINC000048869755	631850083	/nfs/dbraw/zinc/85/00/83/631850083.db2.gz	KVWDLCIMHHTNEA-UHFFFAOYSA-N	-1	0	272.330	0.455	20	30		CCEDRM
N#CC1(CS(=O)(=O)[N-]C(=O)CC[C@H]2CCOC2)CC1	ZINC000793206315	631910961	/nfs/dbraw/zinc/91/09/61/631910961.db2.gz	ZBYLGTKAMTVOHE-JTQLQIEISA-N	-1	0	286.353	0.553	20	30		CCEDRM
Cc1[nH]nc(C(=O)N2CC[C@H](NCC#N)[C@H]2C)c1[O-]	ZINC000986155740	632723459	/nfs/dbraw/zinc/72/34/59/632723459.db2.gz	CNSHDUJJEAXGMM-BDAKNGLRSA-N	-1	0	263.301	0.140	20	30		CCEDRM
Cn1nc(C(=O)[O-])cc1C=NOC1CCOCC1	ZINC000901222432	634215471	/nfs/dbraw/zinc/21/54/71/634215471.db2.gz	IWOVNAUMICKTFL-UHFFFAOYSA-N	-1	0	253.258	0.648	20	30		CCEDRM
Cn1cc(C(=O)[O-])cc1C=NN[C@@H]1CCCC[C@H]1O	ZINC000901332631	634229448	/nfs/dbraw/zinc/22/94/48/634229448.db2.gz	JECWOZNOTXVQIM-VXGBXAGGSA-N	-1	0	265.313	0.950	20	30		CCEDRM
CC#CC[C@@H](NS(=O)(=O)CCCC1CC1)C(=O)[O-]	ZINC000905987627	634944343	/nfs/dbraw/zinc/94/43/43/634944343.db2.gz	JJMGBFJKOGESPG-LLVKDONJSA-N	-1	0	273.354	0.963	20	30		CCEDRM
C=CCCOCCNC(=O)N[C@@H](C(=O)[O-])C(C)C	ZINC000227476280	637026798	/nfs/dbraw/zinc/02/67/98/637026798.db2.gz	ZPGYCRYNWOXTRJ-SNVBAGLBSA-N	-1	0	258.318	0.988	20	30		CCEDRM
CCCc1cc(C([O-])=C(C#N)C(=O)NC2CC2)n[nH]1	ZINC000916926756	637932892	/nfs/dbraw/zinc/93/28/92/637932892.db2.gz	VGHHHWSHPOEAMU-JTQLQIEISA-N	-1	0	260.297	0.963	20	30		CCEDRM
N#CCCCS(=O)(=O)[N-]C(=O)CCc1ccccn1	ZINC000181278497	638329105	/nfs/dbraw/zinc/32/91/05/638329105.db2.gz	ANZNIYUTFXLHKN-UHFFFAOYSA-N	-1	0	281.337	0.764	20	30		CCEDRM
N#Cc1ccc(C(=O)[N-]N2C(=O)c3ccccc3C2=O)cn1	ZINC000734312792	638829695	/nfs/dbraw/zinc/82/96/95/638829695.db2.gz	PWWWMRDHEGTKCE-UHFFFAOYSA-N	-1	0	292.254	0.894	20	30		CCEDRM
C[C@H](CNC(=O)[C@@]1(C#N)CCCOC1)CC(=O)[O-]	ZINC000923072209	640016462	/nfs/dbraw/zinc/01/64/62/640016462.db2.gz	ZWLARBMIKFEBOG-JOYOIKCWSA-N	-1	0	254.286	0.534	20	30		CCEDRM
N#C[C@@]1(C(=O)N[C@H]2CC[C@H]2C(=O)[O-])CCCOC1	ZINC000923143546	640038942	/nfs/dbraw/zinc/03/89/42/640038942.db2.gz	RCFMRSWGURCSCR-PTRXPTGYSA-N	-1	0	252.270	0.286	20	30		CCEDRM
Cn1ccnc(NN=Cc2cc(C(=O)[O-])cs2)c1=O	ZINC000755755330	640335748	/nfs/dbraw/zinc/33/57/48/640335748.db2.gz	KIDPQRFXGSIYGD-UHFFFAOYSA-N	-1	0	278.293	0.986	20	30		CCEDRM
Cc1ncc(S(=O)(=O)[N-]C(=O)CSCC#N)s1	ZINC000755869312	640339620	/nfs/dbraw/zinc/33/96/20/640339620.db2.gz	XUYLVGUXAYRTBU-UHFFFAOYSA-N	-1	0	291.379	0.513	20	30		CCEDRM
Cc1nnc(NN=Cc2ncc(Cl)n2C)[n-]c1=O	ZINC000799470743	640573536	/nfs/dbraw/zinc/57/35/36/640573536.db2.gz	PBYMSAKGBACQQN-UHFFFAOYSA-N	-1	0	267.680	0.719	20	30		CCEDRM
N#Cc1cccc(C(=O)[N-]S(=O)(=O)CCCF)n1	ZINC000810601957	640939681	/nfs/dbraw/zinc/93/96/81/640939681.db2.gz	BSBQRDMOYABSHO-UHFFFAOYSA-N	-1	0	271.273	0.372	20	30		CCEDRM
N#CCCCS(=O)(=O)[N-]C(=O)c1conc1C1CC1	ZINC000810657199	640944097	/nfs/dbraw/zinc/94/40/97/640944097.db2.gz	UFMOVRFZRMOSDM-UHFFFAOYSA-N	-1	0	283.309	0.915	20	30		CCEDRM
CC#CCS(=O)(=O)[N-]C(=O)c1ncoc1C(C)C	ZINC000810775836	640949408	/nfs/dbraw/zinc/94/94/08/640949408.db2.gz	WEXNASBAGRWCMP-UHFFFAOYSA-N	-1	0	270.310	0.881	20	30		CCEDRM
COc1ncc(C=NNc2nnc(C)c(=O)[n-]2)s1	ZINC000812224076	640995812	/nfs/dbraw/zinc/99/58/12/640995812.db2.gz	ZLRIYNXYUWUXNX-UHFFFAOYSA-N	-1	0	266.286	0.797	20	30		CCEDRM
N#CCCCC(=O)[N-]S(=O)(=O)CC(F)(F)F	ZINC000813072183	641020458	/nfs/dbraw/zinc/02/04/58/641020458.db2.gz	FICYZBQFDJJBHO-UHFFFAOYSA-N	-1	0	258.221	0.689	20	30		CCEDRM
N#CCCCC(=O)[N-]S(=O)(=O)[C@@H]1CCCOC1	ZINC000813083106	641021373	/nfs/dbraw/zinc/02/13/73/641021373.db2.gz	JBLKLSQVNRKKNO-SECBINFHSA-N	-1	0	260.315	0.305	20	30		CCEDRM
C[C@H]1C[C@H]1C(=O)[N-]S(=O)(=O)c1cncc(C#N)c1	ZINC000813983470	641052008	/nfs/dbraw/zinc/05/20/08/641052008.db2.gz	WJMKQNJNZAFASJ-OIBJUYFYSA-N	-1	0	265.294	0.414	20	30		CCEDRM
O=c1[n-][nH]c(=O)n1N=Cc1cc(-n2ccnc2)cs1	ZINC000814232226	641061823	/nfs/dbraw/zinc/06/18/23/641061823.db2.gz	OCBGYQMNHNOJEE-UHFFFAOYSA-N	-1	0	276.281	0.819	20	30		CCEDRM
O=c1[n-][nH]c(=O)n1N=Cc1cnc([C@H]2CCCO2)s1	ZINC000814232198	641062567	/nfs/dbraw/zinc/06/25/67/641062567.db2.gz	XTUWGFIIXXLNIS-SSDOTTSWSA-N	-1	0	281.297	0.880	20	30		CCEDRM
C[C@@H]1C(=NN2CC(=O)N(C)C2=O)CC[C@@H]1CC(=O)[O-]	ZINC000814891980	641080451	/nfs/dbraw/zinc/08/04/51/641080451.db2.gz	YZFFARPYXIUMOA-JGVFFNPUSA-N	-1	0	267.285	0.757	20	30		CCEDRM
C[C@@H]1C(=NN2CC(=O)N(C)C2=O)CC[C@H]1CC(=O)[O-]	ZINC000814891983	641080759	/nfs/dbraw/zinc/08/07/59/641080759.db2.gz	YZFFARPYXIUMOA-YUMQZZPRSA-N	-1	0	267.285	0.757	20	30		CCEDRM
N#CC1(C(=O)Nn2c(=O)[n-][nH]c2=O)CCCCC1	ZINC000816732506	641205231	/nfs/dbraw/zinc/20/52/31/641205231.db2.gz	KKJJRHXVAXYPDV-UHFFFAOYSA-N	-1	0	251.246	0.233	20	30		CCEDRM
Cc1cc(C#N)ccc1C(=O)Nn1c(=O)[n-][nH]c1=O	ZINC000816732340	641205839	/nfs/dbraw/zinc/20/58/39/641205839.db2.gz	CENBATYGDJOAAZ-UHFFFAOYSA-N	-1	0	259.225	0.253	20	30		CCEDRM
C[C@H]1CN(C(=O)Cn2cc(C#N)c(=O)[n-]c2=O)C(C)(C)C1	ZINC000820527471	641513901	/nfs/dbraw/zinc/51/39/01/641513901.db2.gz	PFRZCTGONGUSFL-SECBINFHSA-N	-1	0	290.323	0.468	20	30		CCEDRM
N#Cc1csc(C(=O)OCc2cn(CC(=O)[O-])nn2)c1	ZINC000821344969	641586313	/nfs/dbraw/zinc/58/63/13/641586313.db2.gz	AQUXKFWCDYOPLL-UHFFFAOYSA-N	-1	0	292.276	0.653	20	30		CCEDRM
Cc1ncccc1C(=O)[N-]S(=O)(=O)CCC#N	ZINC000821583778	641611727	/nfs/dbraw/zinc/61/17/27/641611727.db2.gz	HKTZNNACJZZOMI-UHFFFAOYSA-N	-1	0	253.283	0.363	20	30		CCEDRM
C#CC[C@H]1CCN(C(=O)c2cccc(-n3[n-]nnc3=N)c2)C1	ZINC000824869936	641850100	/nfs/dbraw/zinc/85/01/00/641850100.db2.gz	MGYWPBUKUJRBCL-NSHDSACASA-N	-1	0	296.334	0.560	20	30		CCEDRM
C[C@H]1CN(C(=O)C2(C#N)CCOCC2)C[C@@H]1C(=O)[O-]	ZINC000828318108	642086414	/nfs/dbraw/zinc/08/64/14/642086414.db2.gz	LARSPLSIIBAJBL-UWVGGRQHSA-N	-1	0	266.297	0.486	20	30		CCEDRM
Cn1c(C#N)ccc1C(=O)[N-]S(=O)(=O)C[C@@H]1CCCO1	ZINC000835285121	642656276	/nfs/dbraw/zinc/65/62/76/642656276.db2.gz	GNHBQRKOXOMXPP-JTQLQIEISA-N	-1	0	297.336	0.135	20	30		CCEDRM
N#CCCS(=O)(=O)[N-]C(=O)COCC1CCCC1	ZINC000835410012	642660546	/nfs/dbraw/zinc/66/05/46/642660546.db2.gz	PJIPQGVMECZQEE-UHFFFAOYSA-N	-1	0	274.342	0.553	20	30		CCEDRM
N#CCCS(=O)(=O)[N-]C(=O)[C@H]1CC12CCCC2	ZINC000835410206	642660719	/nfs/dbraw/zinc/66/07/19/642660719.db2.gz	FYYVTTSMSXGHGK-SECBINFHSA-N	-1	0	256.327	0.926	20	30		CCEDRM
C#CCO[C@@H](C)C(=O)[N-]S(=O)(=O)[C@@H]1C[C@@H]2CC[C@H]1C2	ZINC000835738673	642673959	/nfs/dbraw/zinc/67/39/59/642673959.db2.gz	FZODIOFSPUXZCD-WHOHXGKFSA-N	-1	0	285.365	0.659	20	30		CCEDRM
N#Cc1c[n-]c(=O)n(C[C@H]2CC2(Cl)Cl)c1=O	ZINC000842616833	642917463	/nfs/dbraw/zinc/91/74/63/642917463.db2.gz	WOUWWLXCHPAHST-ZCFIWIBFSA-N	-1	0	260.080	0.602	20	30		CCEDRM
N#CC1(CS(=O)(=O)[N-]C(=O)C2(F)CC2)CCC1	ZINC000842764765	642947961	/nfs/dbraw/zinc/94/79/61/642947961.db2.gz	VFWKMRZTZXOBGL-UHFFFAOYSA-N	-1	0	260.290	0.628	20	30		CCEDRM
C#CCCN1C[C@H]2CC[C@@H](C1)N2C(=O)c1n[nH]c(C)c1[O-]	ZINC001017480882	650804864	/nfs/dbraw/zinc/80/48/64/650804864.db2.gz	URXMDXNZKHFBBI-TXEJJXNPSA-N	-1	0	288.351	0.736	20	30		CCEDRM
N#Cc1cncc(S(=O)(=O)[N-]C(=O)[C@H]2C[C@H]3C[C@H]3C2)c1	ZINC000851040389	643829005	/nfs/dbraw/zinc/82/90/05/643829005.db2.gz	IZRZPYYWONTWEY-URLYPYJESA-N	-1	0	291.332	0.804	20	30		CCEDRM
Cc1nnc(NN=Cc2cnc3n2CCC3)[n-]c1=O	ZINC000853270236	644096285	/nfs/dbraw/zinc/09/62/85/644096285.db2.gz	OOPRIHNAUQIHBE-UHFFFAOYSA-N	-1	0	259.273	0.474	20	30		CCEDRM
N#C[C@H](CO)[N-]C(=O)C(F)(F)c1ccccc1F	ZINC000854870289	644268121	/nfs/dbraw/zinc/26/81/21/644268121.db2.gz	CXMLNUWSQACIKM-SSDOTTSWSA-N	-1	0	258.199	0.918	20	30		CCEDRM
N#CC(C(=O)N1CCCC1)=C([O-])c1ccc(C#N)nc1	ZINC000115902272	650923360	/nfs/dbraw/zinc/92/33/60/650923360.db2.gz	VFCICLTWSSZTAG-GFCCVEGCSA-N	-1	0	268.276	0.898	20	30		CCEDRM
C[C@H]1C(=O)N(N=Cc2cc([N+](=O)[O-])ccc2[O-])C(=O)N1C	ZINC000857217345	644484105	/nfs/dbraw/zinc/48/41/05/644484105.db2.gz	SDBHVYUGZHKSNF-ZETCQYMHSA-N	-1	0	292.251	0.917	20	30		CCEDRM
C[C@H](C#N)COC(=O)c1ccc([N-]S(C)(=O)=O)nc1	ZINC000860616352	644816166	/nfs/dbraw/zinc/81/61/66/644816166.db2.gz	NRGQRYXTTSPHNT-MRVPVSSYSA-N	-1	0	283.309	0.770	20	30		CCEDRM
N#CCc1ccc(C(=O)NC[C@H]2CCO[C@H]2C(=O)[O-])cc1	ZINC000864215064	645189692	/nfs/dbraw/zinc/18/96/92/645189692.db2.gz	ZDVCXMHARQKTRC-CHWSQXEVSA-N	-1	0	288.303	0.972	20	30		CCEDRM
C[C@H](CC#N)NS(=O)(=O)c1nc[nH]c1Br	ZINC000866673577	645568614	/nfs/dbraw/zinc/56/86/14/645568614.db2.gz	DHLGVHSALIOHRP-RXMQYKEDSA-N	-1	0	293.146	0.753	20	30		CCEDRM
N#Cc1c(F)cccc1S(=O)(=O)[N-]N1CCCC1=O	ZINC000867594189	645636509	/nfs/dbraw/zinc/63/65/09/645636509.db2.gz	IZVCEDCMGGFMLW-UHFFFAOYSA-N	-1	0	283.284	0.513	20	30		CCEDRM
Cc1cnc(F)c(C(=O)[N-]S(=O)(=O)CCC#N)c1	ZINC000870351366	645985108	/nfs/dbraw/zinc/98/51/08/645985108.db2.gz	MTEYSWGILMHCCS-UHFFFAOYSA-N	-1	0	271.273	0.502	20	30		CCEDRM
C[C@H](C(=O)[N-]Oc1cccc(C#N)c1)N1CCN(C)CC1	ZINC000870692527	646017752	/nfs/dbraw/zinc/01/77/52/646017752.db2.gz	HEYXWVHAVKZVFP-GFCCVEGCSA-N	-1	0	288.351	0.604	20	30		CCEDRM
N#Cc1cccc(O[N-]C(=O)CNC(=O)C2CC2)c1	ZINC000870692851	646017783	/nfs/dbraw/zinc/01/77/83/646017783.db2.gz	PDQTXPIYASOSKD-UHFFFAOYSA-N	-1	0	259.265	0.494	20	30		CCEDRM
N#Cc1cccc(O[N-]C(=O)[C@@H](O)C2CCOCC2)c1	ZINC000870692448	646018257	/nfs/dbraw/zinc/01/82/57/646018257.db2.gz	FCEABYCARSMQRY-ZDUSSCGKSA-N	-1	0	276.292	0.756	20	30		CCEDRM
N#Cc1cn(CC(=O)N2CCC[C@H](CF)C2)c(=O)[n-]c1=O	ZINC000881606784	647328749	/nfs/dbraw/zinc/32/87/49/647328749.db2.gz	YQEPEDXZWYGWSO-SECBINFHSA-N	-1	0	294.286	0.029	20	30		CCEDRM
N#Cc1ccc(S(=O)(=O)[N-]C(=O)[C@@H]2COCCO2)cc1	ZINC000048503995	649322354	/nfs/dbraw/zinc/32/23/54/649322354.db2.gz	QNSUQOAXGGCPBT-NSHDSACASA-N	-1	0	296.304	0.619	20	30		CCEDRM
NC(=O)c1ccc(C(=O)[N-]S(=O)(=O)N2CCCC2)cc1	ZINC000048869621	649327737	/nfs/dbraw/zinc/32/77/37/649327737.db2.gz	GPMZWQGJELRRLR-UHFFFAOYSA-N	-1	0	297.336	0.431	20	30		CCEDRM
CC(C)[C@H]([N-]C(=O)C(F)(F)F)C(=O)N(CC#N)CC#N	ZINC000193967005	649565446	/nfs/dbraw/zinc/56/54/46/649565446.db2.gz	XUKQAUWCFFZTOS-QMMMGPOBSA-N	-1	0	290.245	0.565	20	30		CCEDRM
CC(C)S(=O)(=O)[N-]C(=O)c1cc(C(N)=O)cn1C	ZINC000088808078	649645205	/nfs/dbraw/zinc/64/52/05/649645205.db2.gz	VJUSYIHAPDEKQB-UHFFFAOYSA-N	-1	0	273.314	0.167	20	30		CCEDRM
CS(=O)(=O)[N-]C(=O)c1cccnc1OCC(F)F	ZINC000093242185	649733901	/nfs/dbraw/zinc/73/39/01/649733901.db2.gz	XHUUJMXEMYIVEM-UHFFFAOYSA-N	-1	0	280.252	0.990	20	30		CCEDRM
C[C@](C#N)(CC(=O)[O-])C(=O)N[C@H](CO)CC(F)F	ZINC001588538534	958942108	/nfs/dbraw/zinc/94/21/08/958942108.db2.gz	KCXIYALKVZXFJJ-QUBYGPBYSA-N	-1	0	264.228	0.123	20	30		CCEDRM
C[C@H](CC#N)NC(=O)[C@@H]1CO[C@@H](CCC(=O)[O-])C1	ZINC001588988128	962774391	/nfs/dbraw/zinc/77/43/91/962774391.db2.gz	UFYJVSRSTNWTJJ-UTLUCORTSA-N	-1	0	254.286	0.675	20	30		CCEDRM
C#CCCCCC(=O)N[C@H]1CCN(Cc2n[nH]c(=O)[n-]2)C1	ZINC001266313640	790489438	/nfs/dbraw/zinc/48/94/38/790489438.db2.gz	BXJUXYMTEAYTAZ-NSHDSACASA-N	-1	0	291.355	0.394	20	30		CCEDRM
CS(=O)(=O)[C@H]1CCN(Cc2cc(C#N)ccc2[O-])C1	ZINC001232679252	805970305	/nfs/dbraw/zinc/97/03/05/805970305.db2.gz	HQGNNZFNOAJHHT-LBPRGKRZSA-N	-1	0	280.349	0.883	20	30		CCEDRM
N#Cc1cc(OC(=O)[C@@H](O)CC(=O)[O-])ccc1Cl	ZINC001233920108	806146590	/nfs/dbraw/zinc/14/65/90/806146590.db2.gz	BMLHIISWHVYEDM-VIFPVBQESA-N	-1	0	269.640	0.953	20	30		CCEDRM
C#Cc1ccc(O[C@H](COCC=C)CS(=O)(=O)[O-])nc1	ZINC001233965715	806159157	/nfs/dbraw/zinc/15/91/57/806159157.db2.gz	KSSKLHYSKBOLNI-GFCCVEGCSA-N	-1	0	297.332	0.901	20	30		CCEDRM
C#C[C@H](C)Oc1c(C(=O)OC)n[n-]c1C(=O)OC	ZINC001234185914	806197672	/nfs/dbraw/zinc/19/76/72/806197672.db2.gz	GOOTWRSPKRRGQF-LURJTMIESA-N	-1	0	252.226	0.383	20	30		CCEDRM
CCN(CC#N)CCNC(=O)c1n[n-]c2ccccc2c1=O	ZINC001267251007	793244499	/nfs/dbraw/zinc/24/44/99/793244499.db2.gz	RLEFBEZFKQMESH-UHFFFAOYSA-N	-1	0	299.334	0.911	20	30		CCEDRM
C[C@@H](CON)Oc1[n-]c(=O)nc2cccc(C#N)c21	ZINC001234514663	806265438	/nfs/dbraw/zinc/26/54/38/806265438.db2.gz	YBSGFBFASDDBDU-ZETCQYMHSA-N	-1	0	260.253	0.865	20	30		CCEDRM
N#Cc1ccc2nc(=O)[n-]c(OC3CCN(N)CC3)c2c1	ZINC001234530132	806266947	/nfs/dbraw/zinc/26/69/47/806266947.db2.gz	IDUBZFIHAROHFS-UHFFFAOYSA-N	-1	0	285.307	0.924	20	30		CCEDRM
N#Cc1c(OC(=O)[C@H](O)CC(=O)[O-])cnc2ccccc21	ZINC001234854497	806309707	/nfs/dbraw/zinc/30/97/07/806309707.db2.gz	ITUKXVZTKNHHDT-LLVKDONJSA-N	-1	0	286.243	0.847	20	30		CCEDRM
C#CC[C@@H]1CCN(c2nc3c(nc([O-])n(C)c3=O)[nH]2)C1	ZINC001120958478	798968965	/nfs/dbraw/zinc/96/89/65/798968965.db2.gz	UTFDJPOBRMCFLX-MRVPVSSYSA-N	-1	0	273.296	0.212	20	30		CCEDRM
C#CCN(C)c1nnc(-c2c[n-]n(CC)c2=O)n1CC	ZINC001121892826	799085418	/nfs/dbraw/zinc/08/54/18/799085418.db2.gz	LKLOUIOABDUVEQ-UHFFFAOYSA-N	-1	0	274.328	0.956	20	30		CCEDRM
C=CCNC(=O)C(C#N)=C([O-])c1cn2c(n1)COCC2	ZINC001122427203	799231971	/nfs/dbraw/zinc/23/19/71/799231971.db2.gz	BFXNUWHYPULARN-SECBINFHSA-N	-1	0	274.280	0.038	20	30		CCEDRM
CC(=O)c1ncc(C([O-])=C(C#N)C(=O)NC2CC2)s1	ZINC001122542734	799259242	/nfs/dbraw/zinc/25/92/42/799259242.db2.gz	UVZTUVFYEHCSFX-QMMMGPOBSA-N	-1	0	277.305	0.947	20	30		CCEDRM
C=CCOC[C@@H](NC(=O)c1cn(CCC)nc1C)C(=O)[O-]	ZINC001123380459	799400891	/nfs/dbraw/zinc/40/08/91/799400891.db2.gz	WNZIMKGOSZWRLN-GFCCVEGCSA-N	-1	0	295.339	0.987	20	30		CCEDRM
C=CCC(F)(F)C(=O)N1CC[C@@H](c2nnn[n-]2)C1	ZINC001123870043	799490796	/nfs/dbraw/zinc/49/07/96/799490796.db2.gz	WVDKZUVNGJFJDH-SSDOTTSWSA-N	-1	0	257.244	0.727	20	30		CCEDRM
N#Cc1ccc([O-])c(NC(=O)CCn2cnnn2)c1	ZINC001137934075	799695530	/nfs/dbraw/zinc/69/55/30/799695530.db2.gz	HHEYHICSVXEPFD-UHFFFAOYSA-N	-1	0	258.241	0.279	20	30		CCEDRM
N=C(c1ccccc1N)N(O)C(=O)[C@H]1[C@@H]2COC[C@@H]21	ZINC001142643581	800144314	/nfs/dbraw/zinc/14/43/14/800144314.db2.gz	AJQRPPDSEXIXCJ-JZYVYDRUSA-N	-1	0	261.281	0.704	20	30		CCEDRM
C=CCOc1ccc(CC(=O)NCc2nc(=O)o[n-]2)cc1	ZINC001151977149	800476057	/nfs/dbraw/zinc/47/60/57/800476057.db2.gz	CUNFGYCTCWMCFJ-UHFFFAOYSA-N	-1	0	289.291	0.787	20	30		CCEDRM
N#CC1(c2ccc(N[C@@H]3CO[N-]C3=O)nc2)CCC1	ZINC001156691653	801213662	/nfs/dbraw/zinc/21/36/62/801213662.db2.gz	UDDHUUDMZBMCMO-SNVBAGLBSA-N	-1	0	258.281	0.869	20	30		CCEDRM
C#Cc1cnc([N-]S(=O)(=O)C2CCOCC2)c(C#C)n1	ZINC001259908537	808797613	/nfs/dbraw/zinc/79/76/13/808797613.db2.gz	TXZMGDXDXXOHFV-UHFFFAOYSA-N	-1	0	291.332	0.360	20	30		CCEDRM
Cn1c(=O)[n-]c(Sc2ncco2)c(C#N)c1=O	ZINC001163190608	802503107	/nfs/dbraw/zinc/50/31/07/802503107.db2.gz	AUVFDDBLHFLZDU-UHFFFAOYSA-N	-1	0	250.239	0.084	20	30		CCEDRM
C=C[C@@H]1C[C@@]1([N-]S(=O)(=O)C(F)F)C(=O)OCC	ZINC001259961239	808825535	/nfs/dbraw/zinc/82/55/35/808825535.db2.gz	BRUJAWRDHNONLD-MUWHJKNJSA-N	-1	0	269.269	0.636	20	30		CCEDRM
C=C[C@H](C)O[N-]C(=O)[C@H](NC(=O)C1CCCC1)[C@H](C)O	ZINC001164413658	802738078	/nfs/dbraw/zinc/73/80/78/802738078.db2.gz	GTTLPKBIXLYHQZ-JBLDHEPKSA-N	-1	0	284.356	0.665	20	30		CCEDRM
N#Cc1c[n-]c(=O)n(Cc2ccc(CF)cc2)c1=O	ZINC001166382433	802903915	/nfs/dbraw/zinc/90/39/15/802903915.db2.gz	BJYFTQUTBLJVAV-UHFFFAOYSA-N	-1	0	259.240	0.926	20	30		CCEDRM
C[C@@H](C#N)S(=O)(=O)[N-]c1ccc(C(N)=O)cc1	ZINC000088475033	803479779	/nfs/dbraw/zinc/47/97/79/803479779.db2.gz	WAWAZNAIAWCDIM-ZETCQYMHSA-N	-1	0	253.283	0.439	20	30		CCEDRM
N#Cc1c(N)nn(-c2ccc(CCC(=O)[O-])cc2)c1N	ZINC001213623577	803698845	/nfs/dbraw/zinc/69/88/45/803698845.db2.gz	TWRDUBZQXRMMFQ-UHFFFAOYSA-N	-1	0	271.280	0.926	20	30		CCEDRM
N#Cc1cccc2c1CN(C(=O)COCC(=O)[O-])C2	ZINC000405071450	803862158	/nfs/dbraw/zinc/86/21/58/803862158.db2.gz	BRILMJIHUDCEBW-UHFFFAOYSA-N	-1	0	260.249	0.502	20	30		CCEDRM
C=CCOCCCNS(=O)(=O)[C@H]1CCC[C@@H]1C(=O)[O-]	ZINC001465106129	804075378	/nfs/dbraw/zinc/07/53/78/804075378.db2.gz	BGUHMKOJTQSGOW-QWRGUYRKSA-N	-1	0	291.369	0.752	20	30		CCEDRM
N#Cc1ccc(CNS(=O)(=O)c2ncc[n-]2)cc1	ZINC000311109125	804234776	/nfs/dbraw/zinc/23/47/76/804234776.db2.gz	MBGQPIKADHFJOK-UHFFFAOYSA-N	-1	0	262.294	0.760	20	30		CCEDRM
C=CCOCCN1CC[C@H]1CNC(=O)c1[nH]nc(C)c1[O-]	ZINC001276836508	804932650	/nfs/dbraw/zinc/93/26/50/804932650.db2.gz	WWFNUNVOGUEIOU-NSHDSACASA-N	-1	0	294.355	0.430	20	30		CCEDRM
C=CCOC[C@H](CS(=O)(=O)[O-])OCc1ccncn1	ZINC001223204344	804958944	/nfs/dbraw/zinc/95/89/44/804958944.db2.gz	KENJIXJGELVQTJ-LLVKDONJSA-N	-1	0	288.325	0.452	20	30		CCEDRM
COc1cc(C#N)ccc1COC(=O)[C@H](O)CCC(=O)[O-]	ZINC001224190517	805016068	/nfs/dbraw/zinc/01/60/68/805016068.db2.gz	ZWDNKUNFCTZYKN-LLVKDONJSA-N	-1	0	293.275	0.836	20	30		CCEDRM
C=CCCCO[C@H](CN1CCOCC1)CS(=O)(=O)[O-]	ZINC001224510762	805044372	/nfs/dbraw/zinc/04/43/72/805044372.db2.gz	DJFZFEPURGHCSV-GFCCVEGCSA-N	-1	0	293.385	0.558	20	30		CCEDRM
Cc1cc(C#N)c(OC(=O)[C@@H](O)CC(=O)[O-])nc1C	ZINC001225528220	805139036	/nfs/dbraw/zinc/13/90/36/805139036.db2.gz	AWGFGOWQKHGKGR-VIFPVBQESA-N	-1	0	264.237	0.311	20	30		CCEDRM
C#C[C@H](Oc1nc(Cl)cc(=O)[n-]1)C(=O)OCC	ZINC001225561875	805140155	/nfs/dbraw/zinc/14/01/55/805140155.db2.gz	CIYQNZPROKKZOV-LURJTMIESA-N	-1	0	256.645	0.779	20	30		CCEDRM
C#C[C@@H](Oc1nc(Cl)cc(=O)[n-]1)C(=O)OCC	ZINC001225561877	805140688	/nfs/dbraw/zinc/14/06/88/805140688.db2.gz	CIYQNZPROKKZOV-ZCFIWIBFSA-N	-1	0	256.645	0.779	20	30		CCEDRM
N#Cc1cc(Cl)cc(OC(=O)[C@@H](O)CC(=O)[O-])c1	ZINC001225698659	805152034	/nfs/dbraw/zinc/15/20/34/805152034.db2.gz	XKGFHQYCFLLZIM-VIFPVBQESA-N	-1	0	269.640	0.953	20	30		CCEDRM
COC(=O)C[C@H](Oc1[n-]c(=O)c(F)cc1C#N)C(=O)OC	ZINC001226012812	805185474	/nfs/dbraw/zinc/18/54/74/805185474.db2.gz	HDXCESJNVXHLHP-QMMMGPOBSA-N	-1	0	298.226	0.281	20	30		CCEDRM
C=CCOC[C@@H](CS(=O)(=O)[O-])Oc1nnccc1C	ZINC001226640427	805259377	/nfs/dbraw/zinc/25/93/77/805259377.db2.gz	YRFJPQCZFOYQFT-JTQLQIEISA-N	-1	0	288.325	0.623	20	30		CCEDRM
N#Cc1ccc2c(cccc2OC(=O)[C@@H](O)CC(=O)[O-])n1	ZINC001227798590	805391423	/nfs/dbraw/zinc/39/14/23/805391423.db2.gz	RTBORKWPNLCYEF-NSHDSACASA-N	-1	0	286.243	0.847	20	30		CCEDRM
C=CCOC[C@@H](CS(=O)(=O)[O-])Oc1cccc(=O)[nH]1	ZINC001229366078	805524829	/nfs/dbraw/zinc/52/48/29/805524829.db2.gz	NVAQXILUZHVMOK-VIFPVBQESA-N	-1	0	289.309	0.625	20	30		CCEDRM
N#Cc1cnc(-c2cnn(CC(=O)[O-])c2)c(C#N)c1	ZINC001242180075	806992879	/nfs/dbraw/zinc/99/28/79/806992879.db2.gz	GIPVLHLMWZBAQP-UHFFFAOYSA-N	-1	0	253.221	0.773	20	30		CCEDRM
COC(=O)c1ccc(-c2cnn(CC(=O)[O-])c2)c(C#N)n1	ZINC001242186002	806995512	/nfs/dbraw/zinc/99/55/12/806995512.db2.gz	WRGFNEBYIANZHE-UHFFFAOYSA-N	-1	0	286.247	0.688	20	30		CCEDRM
C=C[C@@H](O)CNc1ccc(CC(=O)[N-]S(C)(=O)=O)cc1	ZINC001253596383	808094325	/nfs/dbraw/zinc/09/43/25/808094325.db2.gz	QIFKWYMBIWDGFW-GFCCVEGCSA-N	-1	0	298.364	0.264	20	30		CCEDRM
C=C(C)c1cn(CCOCCOCC(=O)[O-])nn1	ZINC001254090499	808179932	/nfs/dbraw/zinc/17/99/32/808179932.db2.gz	NYJDKHBAGCSPNN-UHFFFAOYSA-N	-1	0	255.274	0.429	20	30		CCEDRM
N#Cc1ccc(S(=O)(=O)[N-]c2ncnn3cccc23)cc1	ZINC001258039540	808651676	/nfs/dbraw/zinc/65/16/76/808651676.db2.gz	UZLJUNWNEDURFY-UHFFFAOYSA-N	-1	0	299.315	0.824	20	30		CCEDRM
Cc1ccnc(C#N)c1[N-]S(=O)(=O)c1cnn(C)c1	ZINC001259821934	808778526	/nfs/dbraw/zinc/77/85/26/808778526.db2.gz	ZAWKJPDVLKRVDT-UHFFFAOYSA-N	-1	0	277.309	0.796	20	30		CCEDRM
Cn1cc(S(=O)(=O)[N-]c2ccc(C#N)cc2C#N)cn1	ZINC001259827769	808779655	/nfs/dbraw/zinc/77/96/55/808779655.db2.gz	PDBNBYBBBORBBK-UHFFFAOYSA-N	-1	0	287.304	0.964	20	30		CCEDRM
CCOC(=O)[C@H](C#N)[N-]S(=O)(=O)CCC(F)(F)F	ZINC001259875386	808789981	/nfs/dbraw/zinc/78/99/81/808789981.db2.gz	AIMWUXMYJYIMPE-LURJTMIESA-N	-1	0	288.247	0.313	20	30		CCEDRM
CN(CC#N)S(=O)(=O)c1cc(C(=O)[O-])ccc1F	ZINC001260213693	808857430	/nfs/dbraw/zinc/85/74/30/808857430.db2.gz	SXJCCSMALDOKAE-UHFFFAOYSA-N	-1	0	272.257	0.668	20	30		CCEDRM
CC[C@H](C)S(=O)(=O)[N-]c1ncnc(OC)c1C#N	ZINC001260727246	808877920	/nfs/dbraw/zinc/87/79/20/808877920.db2.gz	OIWIAGKRUHJBEE-ZETCQYMHSA-N	-1	0	270.314	0.897	20	30		CCEDRM
C=C[C@@H]1CCCCN1C(=O)C(=O)N[C@H]1C[C@H](C(=O)[O-])C1	ZINC001262057971	809176372	/nfs/dbraw/zinc/17/63/72/809176372.db2.gz	JYORDOBSNYQEKP-GMTAPVOTSA-N	-1	0	280.324	0.533	20	30		CCEDRM
C#CCCS(=O)(=O)[N-][C@@H](CCO)C(F)(F)F	ZINC001262076784	809184080	/nfs/dbraw/zinc/18/40/80/809184080.db2.gz	GZTOMFHUWRNYKR-ZETCQYMHSA-N	-1	0	259.249	0.242	20	30		CCEDRM
Cn1nnc2c1nccc2C([O-])=C(C#N)C(=O)N1CCCC1	ZINC001263293621	809504072	/nfs/dbraw/zinc/50/40/72/809504072.db2.gz	SOGYMIOAVFCAIV-SNVBAGLBSA-N	-1	0	298.306	0.308	20	30		CCEDRM
C=CCNC(=O)C(C#N)=C([O-])c1conc1COC	ZINC001263295280	809504473	/nfs/dbraw/zinc/50/44/73/809504473.db2.gz	UCIYCNREOJDHAO-QMMMGPOBSA-N	-1	0	263.253	0.446	20	30		CCEDRM
C=CC[C@@H](NC(=O)[C@@H]1Cc2cccnc2C1)C(=O)[O-]	ZINC001263630726	809543982	/nfs/dbraw/zinc/54/39/82/809543982.db2.gz	WAUALKFADPTJON-GHMZBOCLSA-N	-1	0	260.293	0.942	20	30		CCEDRM
N#Cc1cc(NC(=O)[C@H]2CCCS2(=O)=O)c([O-])cc1F	ZINC001143476860	811498319	/nfs/dbraw/zinc/49/83/19/811498319.db2.gz	KZDUJEJHRLKOGN-LLVKDONJSA-N	-1	0	298.295	0.919	20	30		CCEDRM
CCOC(=O)[C@H](C#C[Si](C)(C)C)OCc1nnn[n-]1	ZINC001223026963	812073359	/nfs/dbraw/zinc/07/33/59/812073359.db2.gz	KOYOTCNKCIUACL-VIFPVBQESA-N	-1	0	282.376	0.529	20	30		CCEDRM
Cc1c(C)c(OC(=O)[C@@H](O)CC(=O)[O-])ccc1C#N	ZINC001225513196	812949905	/nfs/dbraw/zinc/94/99/05/812949905.db2.gz	LJWWDQYFRKVWMA-JTQLQIEISA-N	-1	0	263.249	0.916	20	30		CCEDRM
C=CCOC[C@@H](CS(=O)(=O)[O-])OCCOCC	ZINC001204985603	814169183	/nfs/dbraw/zinc/16/91/83/814169183.db2.gz	ARISHZXCOAHYJG-JTQLQIEISA-N	-1	0	268.331	0.499	20	30		CCEDRM
C=C[C@@H](Oc1[n-]c(=O)nc2nccnc21)C(=O)OC	ZINC001226989471	814234415	/nfs/dbraw/zinc/23/44/15/814234415.db2.gz	KATVVBDNINLURO-ZCFIWIBFSA-N	-1	0	262.225	0.232	20	30		CCEDRM
C#CCN1C(=O)CC[C@@H]2[C@H]1CCN2C(=O)c1ccncc1[O-]	ZINC001271402666	814405357	/nfs/dbraw/zinc/40/53/57/814405357.db2.gz	PLGOJLRGEHEPNR-CHWSQXEVSA-N	-1	0	299.330	0.626	20	30		CCEDRM
CN1CC[C@@]2(CCN(C(=O)c3cccc(C#N)c3[O-])C2)C1=O	ZINC001271792560	814579209	/nfs/dbraw/zinc/57/92/09/814579209.db2.gz	FOJBOTPLTYIFHU-INIZCTEOSA-N	-1	0	299.330	0.958	20	30		CCEDRM
C#CCSCCNC(=O)N([C@H](C)C(=O)[O-])C1CC1	ZINC000383572623	815643353	/nfs/dbraw/zinc/64/33/53/815643353.db2.gz	USAICAHZWULRLC-SECBINFHSA-N	-1	0	270.354	1.000	20	30		CCEDRM
C=C(C)C(=O)OCC(COC(=O)C(=C)C)OCC(=O)[O-]	ZINC001225024586	815911561	/nfs/dbraw/zinc/91/15/61/815911561.db2.gz	WFKWFMGMDOBGGF-UHFFFAOYSA-N	-1	0	286.280	0.695	20	30		CCEDRM
C=CCCCC(=O)[N-]S(=O)(=O)c1cc(C(N)=O)n(C)c1	ZINC000176515564	816631934	/nfs/dbraw/zinc/63/19/34/816631934.db2.gz	GDVNJUWUWXUJCS-UHFFFAOYSA-N	-1	0	299.352	0.285	20	30		CCEDRM
CC#CCN1CC(CNC(=O)c2[nH]nc(C)c2[O-])C1	ZINC001031616471	817187945	/nfs/dbraw/zinc/18/79/45/817187945.db2.gz	VRUQVOPEYYJGPX-UHFFFAOYSA-N	-1	0	262.313	0.109	20	30		CCEDRM
CC#CCN1CC[C@H](N(CC)C(=O)c2n[nH]c(C)c2[O-])C1	ZINC001033794798	818942720	/nfs/dbraw/zinc/94/27/20/818942720.db2.gz	HLUYVRDCDCVFTG-LBPRGKRZSA-N	-1	0	290.367	0.983	20	30		CCEDRM
CC#CCS(=O)(=O)[N-]C(=O)[C@@H]1CCOC2(CCC2)C1	ZINC001119429853	821303704	/nfs/dbraw/zinc/30/37/04/821303704.db2.gz	IZRYSOCTWMYEKA-LLVKDONJSA-N	-1	0	285.365	0.805	20	30		CCEDRM
C#CC[C@@H](NC(=O)[C@@H](C)Cc1c(C)nn(C)c1C)C(=O)[O-]	ZINC000820352856	821441013	/nfs/dbraw/zinc/44/10/13/821441013.db2.gz	NDYBACRAZMFDDY-TVQRCGJNSA-N	-1	0	291.351	0.808	20	30		CCEDRM
CC(=O)N[C@H](C(=O)Nc1cc(C#N)c(F)cc1[O-])[C@@H](C)O	ZINC001183700190	844075325	/nfs/dbraw/zinc/07/53/25/844075325.db2.gz	LKDWEOKLTWITFB-INWYIAFRSA-N	-1	0	295.270	0.227	20	30		CCEDRM
Cc1ncc(S(=O)(=O)[N-]C(=O)CCCC#N)s1	ZINC000813090393	838674972	/nfs/dbraw/zinc/67/49/72/838674972.db2.gz	ONDGMSIASSUZMX-UHFFFAOYSA-N	-1	0	273.339	0.950	20	30		CCEDRM
C#CCNC(=O)c1ncc(Br)cc1[O-]	ZINC001135494883	839264671	/nfs/dbraw/zinc/26/46/71/839264671.db2.gz	LZAVTXVIRNYPSE-UHFFFAOYSA-N	-1	0	255.071	0.913	20	30		CCEDRM
O=C([O-])C#CC1CCN(S(=O)(=O)CCC2CC2)CC1	ZINC000844818543	839980135	/nfs/dbraw/zinc/98/01/35/839980135.db2.gz	SQOBJNRLOJHOAQ-UHFFFAOYSA-N	-1	0	285.365	0.916	20	30		CCEDRM
COc1cncc(C([O-])=C(C#N)C(=O)c2nccn2C)n1	ZINC000791835871	840002865	/nfs/dbraw/zinc/00/28/65/840002865.db2.gz	HIMOXCBTYUKUDP-MRVPVSSYSA-N	-1	0	285.263	0.424	20	30		CCEDRM
C=C[C@@H](CO)NC(=O)c1cc(=O)n(-c2ccccc2)[n-]1	ZINC001147889367	840703385	/nfs/dbraw/zinc/70/33/85/840703385.db2.gz	HXYQIICRBUTFOL-JTQLQIEISA-N	-1	0	273.292	0.442	20	30		CCEDRM
C=C(C)C(=O)OCCNS(=O)(=O)c1ccco1	ZINC001186867753	844615174	/nfs/dbraw/zinc/61/51/74/844615174.db2.gz	DZNMWLBZLILJPS-UHFFFAOYSA-N	-1	0	259.283	0.677	20	30		CCEDRM
N#Cc1nc([N-]c2nccnc2CN)ccc1[N+](=O)[O-]	ZINC001171441262	841618196	/nfs/dbraw/zinc/61/81/96/841618196.db2.gz	NTGZKTIAKVWBDQ-UHFFFAOYSA-N	-1	0	271.240	0.854	20	30		CCEDRM
CC(=O)/C=C(/C)NC(=O)c1ccn(C)c1CC(=O)[O-]	ZINC001177370144	842553478	/nfs/dbraw/zinc/55/34/78/842553478.db2.gz	HGQRDXSWUFEDKP-VURMDHGXSA-N	-1	0	264.281	0.875	20	30		CCEDRM
N#C[C@H](Cc1cccs1)C(=O)N[C@H]1SC(=O)[N-]C1=O	ZINC001177916275	842708003	/nfs/dbraw/zinc/70/80/03/842708003.db2.gz	FODZKAOEZREDJL-WKEGUHRASA-N	-1	0	295.345	0.856	20	30		CCEDRM
N#Cc1cc(NC(=O)C2CS(=O)(=O)C2)c([O-])cc1F	ZINC001182814731	843923720	/nfs/dbraw/zinc/92/37/20/843923720.db2.gz	AVIZODXUMXOOOD-UHFFFAOYSA-N	-1	0	284.268	0.386	20	30		CCEDRM
CCOCCS(=O)(=O)[N-]c1ncccc1C#N	ZINC001187242979	844675431	/nfs/dbraw/zinc/67/54/31/844675431.db2.gz	ADVPVSGUDIUPCY-UHFFFAOYSA-N	-1	0	255.299	0.731	20	30		CCEDRM
Cc1noc([N-]S(=O)(=O)c2cnoc2C)c1C#N	ZINC001187321152	844691374	/nfs/dbraw/zinc/69/13/74/844691374.db2.gz	DAKQEVNULISVJZ-UHFFFAOYSA-N	-1	0	268.254	0.952	20	30		CCEDRM
COC(=O)CCS(=O)(=O)[N-]c1c(C#N)cccc1C#N	ZINC001188380388	844876969	/nfs/dbraw/zinc/87/69/69/844876969.db2.gz	DTQVZGVLMBDSFX-UHFFFAOYSA-N	-1	0	293.304	0.735	20	30		CCEDRM
COC(=O)CCS(=O)(=O)[N-]c1cc(F)cnc1C#N	ZINC001188360407	844883771	/nfs/dbraw/zinc/88/37/71/844883771.db2.gz	NXQBBGRAFWPTDD-UHFFFAOYSA-N	-1	0	287.272	0.397	20	30		CCEDRM
C#C[C@H](CO)NS(=O)(=O)c1cccc(F)c1F	ZINC001190723201	845477683	/nfs/dbraw/zinc/47/76/83/845477683.db2.gz	ICLCPKQAUHMVQJ-SSDOTTSWSA-N	-1	0	261.249	0.237	20	30		CCEDRM
C/C(=C/C(=O)C(F)(F)F)NS(=O)(=O)c1ncc[n-]1	ZINC001190749140	845489634	/nfs/dbraw/zinc/48/96/34/845489634.db2.gz	UDYQAKIWXVTREY-PLNGDYQASA-N	-1	0	283.231	0.723	20	30		CCEDRM
C=CCC1(S(=O)(=O)[N-][C@H](CO)C(F)(F)F)CC1	ZINC001190832963	845514855	/nfs/dbraw/zinc/51/48/55/845514855.db2.gz	JOPGFPNVZOSCKK-SSDOTTSWSA-N	-1	0	273.276	0.938	20	30		CCEDRM
Cc1ncc(C(=O)NCCCc2c[nH][nH]c2=O)cc1C#N	ZINC001192296911	845819278	/nfs/dbraw/zinc/81/92/78/845819278.db2.gz	OHXKOAADPFZNSP-SNVBAGLBSA-N	-1	0	285.307	0.504	20	30		CCEDRM
CCOC(=O)[C@@H](C#N)NC(=O)c1c(F)ccc(F)c1[O-]	ZINC001192718658	845901124	/nfs/dbraw/zinc/90/11/24/845901124.db2.gz	FOEXHRDPTDLDCB-MRVPVSSYSA-N	-1	0	284.218	0.855	20	30		CCEDRM
COC(=O)c1ncc(Cl)cc1[N-]S(=O)(=O)CC#N	ZINC001192942885	845930584	/nfs/dbraw/zinc/93/05/84/845930584.db2.gz	FFEMKCWBNVNFOT-UHFFFAOYSA-N	-1	0	289.700	0.787	20	30		CCEDRM
N#CCS(=O)(=O)[N-]c1cn(C2CCOCC2)cn1	ZINC001192951835	845933799	/nfs/dbraw/zinc/93/37/99/845933799.db2.gz	RBHXZZFXCWGQGB-UHFFFAOYSA-N	-1	0	270.314	0.500	20	30		CCEDRM
N#CCS(=O)(=O)[N-]c1cc(=O)[nH]c(C2CC2)n1	ZINC001192935106	845940161	/nfs/dbraw/zinc/94/01/61/845940161.db2.gz	IYMDRSSDKHZNIB-UHFFFAOYSA-N	-1	0	254.271	0.325	20	30		CCEDRM
COc1ccc([N-]S(=O)(=O)CC#N)nc1OC	ZINC001192934822	845940926	/nfs/dbraw/zinc/94/09/26/845940926.db2.gz	GMVNXRXILREVGO-UHFFFAOYSA-N	-1	0	257.271	0.364	20	30		CCEDRM
N#CCS(=O)(=O)[N-]c1ccc(OC2COC2)nc1	ZINC001192938769	845941908	/nfs/dbraw/zinc/94/19/08/845941908.db2.gz	GSJKDGKRSTWMJI-UHFFFAOYSA-N	-1	0	269.282	0.124	20	30		CCEDRM
CNC(=O)c1ccc([N-]S(=O)(=O)CC#N)c(F)c1	ZINC001192985699	845944378	/nfs/dbraw/zinc/94/43/78/845944378.db2.gz	KWFFTIUBRFZFJC-UHFFFAOYSA-N	-1	0	271.273	0.451	20	30		CCEDRM
CS(=O)(=O)c1cccc([N-]S(=O)(=O)CC#N)c1	ZINC001192972060	845957511	/nfs/dbraw/zinc/95/75/11/845957511.db2.gz	HUMAOUBVBDIHSK-UHFFFAOYSA-N	-1	0	274.323	0.355	20	30		CCEDRM
C[C@@H](C#N)S(=O)(=O)[N-]c1cccc(S(C)(=O)=O)c1	ZINC001193139352	846003548	/nfs/dbraw/zinc/00/35/48/846003548.db2.gz	CNXRRRLENHWVGL-QMMMGPOBSA-N	-1	0	288.350	0.744	20	30		CCEDRM
COc1ccc(CO)cc1[N-]S(=O)(=O)[C@@H](C)C#N	ZINC001193149395	846006387	/nfs/dbraw/zinc/00/63/87/846006387.db2.gz	NTYFQMBPOPTGQY-QMMMGPOBSA-N	-1	0	270.310	0.841	20	30		CCEDRM
N#Cc1ccncc1[N-]S(=O)(=O)C[C@@H]1CCCO1	ZINC001193206160	846019651	/nfs/dbraw/zinc/01/96/51/846019651.db2.gz	RLYLQTOXVHECSX-JTQLQIEISA-N	-1	0	267.310	0.874	20	30		CCEDRM
N#Cc1cc(C(=O)N2CC[C@@H](CO)[C@@H](O)C2)ccc1[O-]	ZINC001193506382	846101657	/nfs/dbraw/zinc/10/16/57/846101657.db2.gz	MGQSHCFVPFRYTH-GWCFXTLKSA-N	-1	0	276.292	0.079	20	30		CCEDRM
N#Cc1cc(C(=O)N2CC[C@@H](CO)[C@H](O)C2)ccc1[O-]	ZINC001193506401	846101732	/nfs/dbraw/zinc/10/17/32/846101732.db2.gz	MGQSHCFVPFRYTH-GXFFZTMASA-N	-1	0	276.292	0.079	20	30		CCEDRM
N#Cc1cccc(C(=O)n2c(N)csc2=N)c1[O-]	ZINC001193635414	846131262	/nfs/dbraw/zinc/13/12/62/846131262.db2.gz	SWLQANYCPAAYMC-UHFFFAOYSA-N	-1	0	260.278	0.877	20	30		CCEDRM
N#Cc1cccc(C(=O)N2CCC3(C2)OCCO3)c1[O-]	ZINC001193643702	846134818	/nfs/dbraw/zinc/13/48/18/846134818.db2.gz	BCRSWGHQRDSRBJ-UHFFFAOYSA-N	-1	0	274.276	0.853	20	30		CCEDRM
CC1(C)C(=O)NC[C@H]1NC(=O)c1cccc(C#N)c1[O-]	ZINC001193658880	846139989	/nfs/dbraw/zinc/13/99/89/846139989.db2.gz	FSTVTOFZYHJMLY-SNVBAGLBSA-N	-1	0	273.292	0.518	20	30		CCEDRM
Cc1cc(NC(=O)c2cccc(C#N)c2[O-])n(N)c(=O)c1	ZINC001193657982	846140138	/nfs/dbraw/zinc/14/01/38/846140138.db2.gz	OOJCLOUKASDFHW-UHFFFAOYSA-N	-1	0	284.275	0.700	20	30		CCEDRM
Cn1ncc([N-]S(=O)(=O)c2ccccc2N)c1C#N	ZINC001193900216	846178324	/nfs/dbraw/zinc/17/83/24/846178324.db2.gz	IJRNZQXXDXOVEV-UHFFFAOYSA-N	-1	0	277.309	0.675	20	30		CCEDRM
Cc1[nH][nH]c2ncnc(=NC(=O)c3ccc(C#N)cc3[O-])c1-2	ZINC001195733618	846604371	/nfs/dbraw/zinc/60/43/71/846604371.db2.gz	UCBRANKKCLZJIU-UHFFFAOYSA-N	-1	0	294.274	0.864	20	30		CCEDRM
CCOC(=O)CCNC(=O)c1ccc(C#N)cc1[O-]	ZINC001195758783	846611801	/nfs/dbraw/zinc/61/18/01/846611801.db2.gz	SWCSXPGXRPZMQZ-UHFFFAOYSA-N	-1	0	262.265	0.947	20	30		CCEDRM
N#Cc1ccc(C(=O)NC[C@@H]2CCC(=O)N2)c([O-])c1	ZINC001195763678	846611826	/nfs/dbraw/zinc/61/18/26/846611826.db2.gz	AXPMGRAPQQUUFT-VIFPVBQESA-N	-1	0	259.265	0.272	20	30		CCEDRM
N#Cc1ncc([N-]S(=O)(=O)c2ccc(O)cc2)cn1	ZINC001195766030	846614025	/nfs/dbraw/zinc/61/40/25/846614025.db2.gz	GIHJFASKFIJAQO-UHFFFAOYSA-N	-1	0	276.277	0.855	20	30		CCEDRM
CN1C[C@@H]2CN(C(=O)c3ccc(C#N)cc3[O-])C[C@@H]2C1=O	ZINC001195741655	846619220	/nfs/dbraw/zinc/61/92/20/846619220.db2.gz	OPORENQNXFKMHP-PWSUYJOCSA-N	-1	0	285.303	0.424	20	30		CCEDRM
CCc1cc(C(=O)NCS(=O)(=O)[O-])ccc1C#N	ZINC001197292736	846894096	/nfs/dbraw/zinc/89/40/96/846894096.db2.gz	SWBXTYAGDOBALR-UHFFFAOYSA-N	-1	0	268.294	0.696	20	30		CCEDRM
C=CCN(CC(=O)[O-])C(=O)NCc1cnccc1OC	ZINC000688931132	849207360	/nfs/dbraw/zinc/20/73/60/849207360.db2.gz	PCQMYINBEQYIDI-UHFFFAOYSA-N	-1	0	279.296	0.872	20	30		CCEDRM
CC#CCN1CC(N(C)C(=O)c2n[nH]c(C)c2[O-])C1	ZINC001042620390	850715851	/nfs/dbraw/zinc/71/58/51/850715851.db2.gz	GNFBNQAGYJFROA-UHFFFAOYSA-N	-1	0	262.313	0.203	20	30		CCEDRM
C[C@@H](CO)N(C)N=Cc1ccc(C(=O)[O-])c(O)c1	ZINC000901260606	851661306	/nfs/dbraw/zinc/66/13/06/851661306.db2.gz	USQDSOYDLFJKQB-QMMMGPOBSA-N	-1	0	252.270	0.737	20	30		CCEDRM
N#Cc1ccc(NCC2CC(NC(=O)c3cn[nH]n3)C2)cn1	ZINC001067900767	853865008	/nfs/dbraw/zinc/86/50/08/853865008.db2.gz	APMWTOJOYRMBET-UHFFFAOYSA-N	-1	0	297.322	0.692	20	30		CCEDRM
C#CC[C@@H](NC(=O)c1c(C)onc1CC)C(=O)[O-]	ZINC000149649027	853990538	/nfs/dbraw/zinc/99/05/38/853990538.db2.gz	MQCRSJXLKLCUKX-SECBINFHSA-N	-1	0	250.254	0.752	20	30		CCEDRM
C=CCCCC(=O)[N-]S(=O)(=O)C1CCOCC1	ZINC001116207675	855731717	/nfs/dbraw/zinc/73/17/17/855731717.db2.gz	SMBGIFWURYEGMH-UHFFFAOYSA-N	-1	0	261.343	0.968	20	30		CCEDRM
C[C@H]1CC(=NN2CC(=O)N(C)C2=O)CC[C@H]1C(=O)[O-]	ZINC001117704660	856052668	/nfs/dbraw/zinc/05/26/68/856052668.db2.gz	ZRGZYHGOIQQXDH-IONNQARKSA-N	-1	0	267.285	0.757	20	30		CCEDRM
C=CCO[N-]C(=O)Cn1nc2n(c1=O)CCCCC2	ZINC001117800787	856080159	/nfs/dbraw/zinc/08/01/59/856080159.db2.gz	VYDOBRSYLCIBNS-UHFFFAOYSA-N	-1	0	266.301	0.005	20	30		CCEDRM
C=C[C@@H](C)O[N-]C(=O)C(=O)Nc1cc[nH]c1C(=O)OCC	ZINC001118314209	856255647	/nfs/dbraw/zinc/25/56/47/856255647.db2.gz	VGAXIDSBSKJGCE-MRVPVSSYSA-N	-1	0	295.295	0.752	20	30		CCEDRM
N#Cc1cccc2c1CN(C(=O)CCc1nnn[n-]1)C2	ZINC001119039160	856537752	/nfs/dbraw/zinc/53/77/52/856537752.db2.gz	AMCLOKQZOLHLLT-UHFFFAOYSA-N	-1	0	268.280	0.546	20	30		CCEDRM
C=CC[C@@H](NC(=O)[C@@]1(C#N)CCCOC1)C(=O)[O-]	ZINC001119618448	856780546	/nfs/dbraw/zinc/78/05/46/856780546.db2.gz	KSLRXEPSYXBMOJ-BXKDBHETSA-N	-1	0	252.270	0.452	20	30		CCEDRM
C=C(C)C[C@@H](NC(=O)c1cc(CN(C)C)on1)C(=O)[O-]	ZINC001119644736	856804867	/nfs/dbraw/zinc/80/48/67/856804867.db2.gz	HFVGJQSKDHOMPE-LLVKDONJSA-N	-1	0	281.312	0.885	20	30		CCEDRM
C=CC[C@H](NC(=O)COC[C@@H]1CCCO1)C(=O)[O-]	ZINC001325145201	913243247	/nfs/dbraw/zinc/24/32/47/913243247.db2.gz	XQSGCNSWQDBBKQ-UWVGGRQHSA-N	-1	0	257.286	0.328	20	30		CCEDRM
C=C(C)CCC(=O)N[C@H](C)C1CN(Cc2n[nH]c(=O)[n-]2)C1	ZINC001282715639	891476089	/nfs/dbraw/zinc/47/60/89/891476089.db2.gz	BKAUFTVVOSJUHC-SNVBAGLBSA-N	-1	0	293.371	0.803	20	30		CCEDRM
N#Cc1c[n-]n2c1nc(CN1CCCOCC1)cc2=O	ZINC001364380558	894016586	/nfs/dbraw/zinc/01/65/86/894016586.db2.gz	CMEBOHIKLZCBBR-UHFFFAOYSA-N	-1	0	273.296	0.529	20	30		CCEDRM
Cc1noc(C2([N-]S(=O)(=O)c3ccc(C#N)o3)CC2)n1	ZINC001414375972	895148795	/nfs/dbraw/zinc/14/87/95/895148795.db2.gz	AKDVGTFJXVLMCA-UHFFFAOYSA-N	-1	0	294.292	0.810	20	30		CCEDRM
CC[C@H](C)[C@](C)(O)CNc1[n-]c(=O)n(C)c(=O)c1C#N	ZINC001364532039	898162985	/nfs/dbraw/zinc/16/29/85/898162985.db2.gz	JOBVMLNEPNMJTN-ISVAXAHUSA-N	-1	0	280.328	0.154	20	30		CCEDRM
COc1ccc2nc([N-]S(=O)(=O)[C@@H](C)C#N)nnc2c1	ZINC001193106584	900031399	/nfs/dbraw/zinc/03/13/99/900031399.db2.gz	SOVYPRCHBASYEP-ZETCQYMHSA-N	-1	0	293.308	0.687	20	30		CCEDRM
COC(=O)c1ccnc(C)c1[N-]S(=O)(=O)[C@@H](C)C#N	ZINC001193110677	900032625	/nfs/dbraw/zinc/03/26/25/900032625.db2.gz	ATQDYAFOKUSXMN-ZETCQYMHSA-N	-1	0	283.309	0.830	20	30		CCEDRM
C[C@@H](C#N)S(=O)(=O)[N-]c1cnccc1N1CCOCC1	ZINC001193110648	900034167	/nfs/dbraw/zinc/03/41/67/900034167.db2.gz	AFWOAWVHQXTAKI-JTQLQIEISA-N	-1	0	296.352	0.572	20	30		CCEDRM
N#Cc1cn(CC(=O)N[C@H]2CCC(F)(F)C2)c(=O)[n-]c1=O	ZINC001411886412	901305811	/nfs/dbraw/zinc/30/58/11/901305811.db2.gz	UTPQIVKYUUZEER-QMMMGPOBSA-N	-1	0	298.249	0.125	20	30		CCEDRM
N#C[C@@H](CCc1ccccc1)C(=O)NCc1n[nH]c(=O)[n-]1	ZINC001411888731	901307139	/nfs/dbraw/zinc/30/71/39/901307139.db2.gz	RTBXIWHIRIMPQJ-LLVKDONJSA-N	-1	0	285.307	0.899	20	30		CCEDRM
CSc1[n-]c(=O)c(C(=O)Nn2cnnc2)cc1C#N	ZINC001411960917	901360132	/nfs/dbraw/zinc/36/01/32/901360132.db2.gz	ADKXRCYSQLQOJG-UHFFFAOYSA-N	-1	0	276.281	0.356	20	30		CCEDRM
N#Cc1nc(NC(=O)COc2ccsn2)[n-]c1C#N	ZINC001412294311	901625370	/nfs/dbraw/zinc/62/53/70/901625370.db2.gz	UIADVJXTSSKPKS-UHFFFAOYSA-N	-1	0	274.265	0.627	20	30		CCEDRM
Cc1ccc(C(=O)NCc2nc([O-])cc(=O)[nH]2)cc1C#N	ZINC001412377171	901671986	/nfs/dbraw/zinc/67/19/86/901671986.db2.gz	PJPVWRKETYEKKT-UHFFFAOYSA-N	-1	0	284.275	0.998	20	30		CCEDRM
COC[C@H](NC(=O)c1ccc(C#N)cc1F)c1nnn[n-]1	ZINC001412603450	901862223	/nfs/dbraw/zinc/86/22/23/901862223.db2.gz	HNPCYIWCOQFDKY-JTQLQIEISA-N	-1	0	290.258	0.328	20	30		CCEDRM
C[C@@H](CCC1CC1)NC(=O)Cn1cc(C#N)c(=O)[n-]c1=O	ZINC001412868402	902313311	/nfs/dbraw/zinc/31/33/11/902313311.db2.gz	FTTKEKDDCBJMTL-VIFPVBQESA-N	-1	0	290.323	0.515	20	30		CCEDRM
Cn1c(=O)[n-]c(NCC2(c3ccccn3)CC2)c(C#N)c1=O	ZINC001412884794	902331877	/nfs/dbraw/zinc/33/18/77/902331877.db2.gz	YFPJMFOUXLYMLQ-UHFFFAOYSA-N	-1	0	297.318	0.484	20	30		CCEDRM
C=C(CNC(=O)Cn1c(=O)[n-][nH]c1=O)c1ccccc1	ZINC001413045963	902528947	/nfs/dbraw/zinc/52/89/47/902528947.db2.gz	QIROUULMOQJYRA-UHFFFAOYSA-N	-1	0	274.280	0.519	20	30		CCEDRM
CC[C@H](SC)C(=O)NCCn1cc(C#N)c(=O)[n-]c1=O	ZINC001413308401	902857414	/nfs/dbraw/zinc/85/74/14/902857414.db2.gz	IQUFULWCNLQIEY-VIFPVBQESA-N	-1	0	296.352	0.078	20	30		CCEDRM
CCC[C@@H](C)CC(=O)NCCn1cc(C#N)c(=O)[n-]c1=O	ZINC001413308846	902859433	/nfs/dbraw/zinc/85/94/33/902859433.db2.gz	LEWSLMQUFXIZNW-SNVBAGLBSA-N	-1	0	292.339	0.763	20	30		CCEDRM
C=C[C@@H](C)O[N-]C(=O)C(=O)Nc1ccnc(C)n1	ZINC001329674504	903844652	/nfs/dbraw/zinc/84/46/52/903844652.db2.gz	DJUMRWKUQLWEJR-SSDOTTSWSA-N	-1	0	250.258	0.346	20	30		CCEDRM
O=C(C#Cc1cccs1)NCc1nc([O-])cc(=O)[nH]1	ZINC001301577663	907973616	/nfs/dbraw/zinc/97/36/16/907973616.db2.gz	VGCIYPIUTCBUCG-UHFFFAOYSA-N	-1	0	275.289	0.617	20	30		CCEDRM
C=CCCCN(CC)c1nnc(Cc2nn[nH]n2)n1C	ZINC001338124616	921373757	/nfs/dbraw/zinc/37/37/57/921373757.db2.gz	ZBOHCXLIHCNBAS-UHFFFAOYSA-N	-1	0	276.348	0.712	20	30		CCEDRM
C=C[C@H](C)ONC(=O)Nc1nc(CS(C)(=O)=O)no1	ZINC001310477996	908497924	/nfs/dbraw/zinc/49/79/24/908497924.db2.gz	LIDWXGYIAUJQOZ-LURJTMIESA-N	-1	0	290.301	0.242	20	30		CCEDRM
C=CCOCCNC(=O)N1CCC[C@H](c2n[nH]c(=O)[n-]2)C1	ZINC001313070258	908650609	/nfs/dbraw/zinc/65/06/09/908650609.db2.gz	ZOSFZFAJHTXSKN-JTQLQIEISA-N	-1	0	295.343	0.602	20	30		CCEDRM
C=CCOCCNC(=O)N1CCC[C@@H](c2n[nH]c(=O)[n-]2)C1	ZINC001313070259	908652932	/nfs/dbraw/zinc/65/29/32/908652932.db2.gz	ZOSFZFAJHTXSKN-SNVBAGLBSA-N	-1	0	295.343	0.602	20	30		CCEDRM
Cc1cc(C#N)c(=O)[n-]c1C(=O)N1CCc2n[nH]cc2C1	ZINC001417604222	921444078	/nfs/dbraw/zinc/44/40/78/921444078.db2.gz	GXAAPWCUTQFEEB-UHFFFAOYSA-N	-1	0	283.291	0.889	20	30		CCEDRM
C[C@H](NC(=O)CCc1nnn[n-]1)c1ccc(C#N)cc1	ZINC001417608135	921448922	/nfs/dbraw/zinc/44/89/22/921448922.db2.gz	FNODCFINAXPABX-VIFPVBQESA-N	-1	0	270.296	0.881	20	30		CCEDRM
CCN(C[C@@H](C)C#N)C(=O)c1cccc(-n2[n-]nnc2=N)c1	ZINC001417612953	921452919	/nfs/dbraw/zinc/45/29/19/921452919.db2.gz	MOAQULHUGOAJMF-JTQLQIEISA-N	-1	0	299.338	0.697	20	30		CCEDRM
Cc1[nH]nc(C(=O)N2CCC[C@@H](CNCC#N)C2)c1[O-]	ZINC001317143090	909011248	/nfs/dbraw/zinc/01/12/48/909011248.db2.gz	IBUSGIRAAVGJEA-JTQLQIEISA-N	-1	0	277.328	0.389	20	30		CCEDRM
O=C([O-])COc1ccc(C=Nn2cnnc2)cc1[N+](=O)[O-]	ZINC001318353896	909724079	/nfs/dbraw/zinc/72/40/79/909724079.db2.gz	QDGSXSBNLXTDEN-UHFFFAOYSA-N	-1	0	291.223	0.532	20	30		CCEDRM
CC(C)NC(=S)NN=Cc1ccc(C(=O)[O-])[nH]1	ZINC001318955220	909935923	/nfs/dbraw/zinc/93/59/23/909935923.db2.gz	ZXXOMICBHAFRKF-UHFFFAOYSA-N	-1	0	254.315	0.919	20	30		CCEDRM
N#CCn1cc(NC(=O)C(=O)[N-]OCc2ccccc2)cn1	ZINC001319553775	910202008	/nfs/dbraw/zinc/20/20/08/910202008.db2.gz	NSAXZOPHKVWKAW-UHFFFAOYSA-N	-1	0	299.290	0.593	20	30		CCEDRM
C=CCn1c(Cc2nn[nH]n2)nnc1N1CCC[C@@H](C)C1	ZINC001338932702	921605820	/nfs/dbraw/zinc/60/58/20/921605820.db2.gz	YXZIAFYRDTYUCI-SNVBAGLBSA-N	-1	0	288.359	0.804	20	30		CCEDRM
CCO[N-]C(=O)CNC(=O)c1ccc(C#N)cc1F	ZINC001339059597	921639596	/nfs/dbraw/zinc/63/95/96/921639596.db2.gz	GVVZWSOTVQMYRL-UHFFFAOYSA-N	-1	0	265.244	0.495	20	30		CCEDRM
C=CC[C@H](NC(=O)c1ccc(N)c([N+](=O)[O-])c1)C(=O)[O-]	ZINC001321340119	911242973	/nfs/dbraw/zinc/24/29/73/911242973.db2.gz	LBSQBERAKAIIHT-VIFPVBQESA-N	-1	0	279.252	0.936	20	30		CCEDRM
Cc1nc(-c2ncccn2)[n-]c(=O)c1CC(=O)NCCC#N	ZINC001321359079	911256982	/nfs/dbraw/zinc/25/69/82/911256982.db2.gz	ICLBABZFDBWAAZ-UHFFFAOYSA-N	-1	0	298.306	0.520	20	30		CCEDRM
C=CC[C@@H](NC(=O)c1cncc(COC)c1)C(=O)[O-]	ZINC001328335978	915120806	/nfs/dbraw/zinc/12/08/06/915120806.db2.gz	BHZBPYYNVJTEML-LLVKDONJSA-N	-1	0	264.281	0.987	20	30		CCEDRM
Cn1c(=O)[n-]c(NCCOC2CCCCC2)c(C#N)c1=O	ZINC001339546072	921756393	/nfs/dbraw/zinc/75/63/93/921756393.db2.gz	XYBVCSWBTDZNRW-UHFFFAOYSA-N	-1	0	292.339	0.706	20	30		CCEDRM
C#CCCN1CCN(C(=O)c2cc(C(=O)[O-])co2)CC1	ZINC001339603534	921771760	/nfs/dbraw/zinc/77/17/60/921771760.db2.gz	UPMSDWWUCPYLLI-UHFFFAOYSA-N	-1	0	276.292	0.759	20	30		CCEDRM
C#CCN(CC#C)c1nnc(-c2c[n-]n(CC)c2=O)n1CC	ZINC001339687172	921799177	/nfs/dbraw/zinc/79/91/77/921799177.db2.gz	FVXKZJPZOPKJKO-UHFFFAOYSA-N	-1	0	298.350	0.960	20	30		CCEDRM
CSCCO[N-]C(=O)C(=O)NCC1(CC#N)CC1	ZINC001330224999	916489396	/nfs/dbraw/zinc/48/93/96/916489396.db2.gz	PHKUKWAEEHEIQR-UHFFFAOYSA-N	-1	0	271.342	0.207	20	30		CCEDRM
C#C[C@@H](CCC)[N-]S(=O)(=O)c1cc(C(=O)OC)no1	ZINC001331554221	917413220	/nfs/dbraw/zinc/41/32/20/917413220.db2.gz	FQIVGIGQCNAXMW-QMMMGPOBSA-N	-1	0	286.309	0.541	20	30		CCEDRM
C=CCOC[C@@H](NC(=O)C1CCN(C(C)=O)CC1)C(=O)[O-]	ZINC001331894760	917700005	/nfs/dbraw/zinc/70/00/05/917700005.db2.gz	GMAHATRCDNYBIO-GFCCVEGCSA-N	-1	0	298.339	0.017	20	30		CCEDRM
C=CC[C@@H](NC(=O)NCc1cnc(N(C)C)n1C)C(=O)[O-]	ZINC001332132498	917889916	/nfs/dbraw/zinc/88/99/16/917889916.db2.gz	REFXERZYQXLHBM-SNVBAGLBSA-N	-1	0	295.343	0.315	20	30		CCEDRM
C=CC[C@@H](NC(=O)NCc1ncccc1N(C)C)C(=O)[O-]	ZINC001332605541	918305408	/nfs/dbraw/zinc/30/54/08/918305408.db2.gz	BZHGQSSOLAKCGL-SNVBAGLBSA-N	-1	0	292.339	0.976	20	30		CCEDRM
C=CC[C@H](NC(=O)NC[C@H](OC)[C@H]1CCOC1)C(=O)[O-]	ZINC001333146076	918685397	/nfs/dbraw/zinc/68/53/97/918685397.db2.gz	UHHMMESTKQMAHJ-DCAQKATOSA-N	-1	0	286.328	0.366	20	30		CCEDRM
C=C(C)C[C@H](NC(=O)[C@@H](C)N1CCN(C)CC1)C(=O)[O-]	ZINC001334204826	919424291	/nfs/dbraw/zinc/42/42/91/919424291.db2.gz	GHCXBVDKQINVES-NEPJUHHUSA-N	-1	0	283.372	0.158	20	30		CCEDRM
C=CC[C@@H]1CCCC[C@@H]1NC(=O)C(=O)NCC(=O)[N-]OC	ZINC001335142980	919979847	/nfs/dbraw/zinc/97/98/47/919979847.db2.gz	GWXGANIIUFDHKS-MNOVXSKESA-N	-1	0	297.355	0.031	20	30		CCEDRM
C=CC(C)(C)CCNc1[n-]c(=O)n(C)c(=O)c1C#N	ZINC001336686981	920929318	/nfs/dbraw/zinc/92/93/18/920929318.db2.gz	WAOVVZNVYVXPLL-UHFFFAOYSA-N	-1	0	262.313	0.959	20	30		CCEDRM
C=C(C)C[C@@H](CO)NC(=O)NCC1(C(=O)[O-])CCC1	ZINC001339926439	921880907	/nfs/dbraw/zinc/88/09/07/921880907.db2.gz	PQFDIGFRGLENCL-JTQLQIEISA-N	-1	0	270.329	0.868	20	30		CCEDRM
C=C(C)CN(CC)c1nnc(-c2cc(=O)[nH][n-]2)n1CC	ZINC001341000811	922313631	/nfs/dbraw/zinc/31/36/31/922313631.db2.gz	VTVLDYCDNSSLHW-UHFFFAOYSA-N	-1	0	276.344	0.924	20	30		CCEDRM
CNC(=O)C(C#N)=C([O-])c1cccc(C(=O)N(C)C)c1	ZINC001341882324	922710344	/nfs/dbraw/zinc/71/03/44/922710344.db2.gz	BIEPZPZGWSEEQB-LLVKDONJSA-N	-1	0	273.292	0.457	20	30		CCEDRM
CC(C)(C)n1nnc(C([O-])=C(C#N)C(=O)NC2CC2)n1	ZINC001341950036	922736470	/nfs/dbraw/zinc/73/64/70/922736470.db2.gz	NZWJLSVEWRPNSI-MRVPVSSYSA-N	-1	0	276.300	0.029	20	30		CCEDRM
N#CC(C(=O)NC1CC1)=C([O-])c1noc2c1COCC2	ZINC001341954569	922737460	/nfs/dbraw/zinc/73/74/60/922737460.db2.gz	KMNCSMVFGGYOHQ-QMMMGPOBSA-N	-1	0	275.264	0.348	20	30		CCEDRM
CNC(=O)C(C#N)=C([O-])c1c[nH]c(Br)c1	ZINC001342567261	923008653	/nfs/dbraw/zinc/00/86/53/923008653.db2.gz	RZZLVZGZOMRDSQ-ZCFIWIBFSA-N	-1	0	270.086	0.846	20	30		CCEDRM
C#CCO[C@@H](C)C(=O)C(C#N)=C([O-])c1nccn1C	ZINC001342895072	923126943	/nfs/dbraw/zinc/12/69/43/923126943.db2.gz	NRHHFOAGXLQFJV-VHSXEESVSA-N	-1	0	259.265	0.350	20	30		CCEDRM
CC(C)(C)n1cnc(C([O-])=C(C#N)C(=O)NC2CC2)n1	ZINC001343387829	923293270	/nfs/dbraw/zinc/29/32/70/923293270.db2.gz	VFGYNLUXYPKWJN-SECBINFHSA-N	-1	0	275.312	0.634	20	30		CCEDRM
CNC(=O)C(C#N)=C([O-])c1c2ccccc2nn1C	ZINC001343463832	923328435	/nfs/dbraw/zinc/32/84/35/923328435.db2.gz	RJJYKQJABVPMKO-SECBINFHSA-N	-1	0	256.265	0.642	20	30		CCEDRM
C=CCNC(=O)C(C#N)=C([O-])c1cnc(C(C)=O)s1	ZINC001343590636	923383349	/nfs/dbraw/zinc/38/33/49/923383349.db2.gz	QQAHXJAKVSWCGO-QMMMGPOBSA-N	-1	0	277.305	0.970	20	30		CCEDRM
Cc1c(C#N)cccc1C(=O)NCc1nc(=O)o[n-]1	ZINC001344655383	923662155	/nfs/dbraw/zinc/66/21/55/923662155.db2.gz	KLWOYELABAEIQJ-UHFFFAOYSA-N	-1	0	258.237	0.473	20	30		CCEDRM
C=C[C@H](O)C(=O)N1CCc2ccc(C(=O)[O-])nc2C1	ZINC001345133555	923802533	/nfs/dbraw/zinc/80/25/33/923802533.db2.gz	MVUANPWHIWZBOL-NSHDSACASA-N	-1	0	262.265	0.211	20	30		CCEDRM
COCCNC(=O)C(C#N)=C([O-])c1cn2c(n1)CCCC2	ZINC001346078885	924065828	/nfs/dbraw/zinc/06/58/28/924065828.db2.gz	ZGGNWJAMFHSXAD-SNVBAGLBSA-N	-1	0	290.323	0.304	20	30		CCEDRM
N#CC(C(=O)N1CCCC1)=C([O-])c1cnn2c1CCC2	ZINC001346199082	924107425	/nfs/dbraw/zinc/10/74/25/924107425.db2.gz	MQXPNXUSCLOCOS-SNVBAGLBSA-N	-1	0	272.308	0.774	20	30		CCEDRM
C#C[C@H]1CC[C@H](Nc2[n-]c(=O)n(C)c(=O)c2C#N)CC1	ZINC001348290965	924639205	/nfs/dbraw/zinc/63/92/05/924639205.db2.gz	AXYFIQHPVAJOGC-MGCOHNPYSA-N	-1	0	272.308	0.549	20	30		CCEDRM
C#CC[C@H](NC(=O)c1cn(CCC)nc1C)C(=O)[O-]	ZINC001349943658	925102629	/nfs/dbraw/zinc/10/26/29/925102629.db2.gz	LOYDBJYPWQSEPE-NSHDSACASA-N	-1	0	263.297	0.808	20	30		CCEDRM
C=CCN(C(=O)C(=O)N[C@H]1C[C@@H](C(=O)[O-])C1)[C@H](C)COC	ZINC001349958057	925106102	/nfs/dbraw/zinc/10/61/02/925106102.db2.gz	IDHZSOSHUBODDP-MXWKQRLJSA-N	-1	0	298.339	0.015	20	30		CCEDRM
C=CC[C@H](NC(=O)NCCOC[C@@H]1CCCO1)C(=O)[O-]	ZINC001350758530	925271300	/nfs/dbraw/zinc/27/13/00/925271300.db2.gz	HTZBKNYRGQQDPN-QWRGUYRKSA-N	-1	0	286.328	0.511	20	30		CCEDRM
C=CC[C@H](NC(=O)c1cn(C(C)(C)C)nn1)C(=O)[O-]	ZINC001350767775	925275307	/nfs/dbraw/zinc/27/53/07/925275307.db2.gz	GQURQEJCBBSFCZ-QMMMGPOBSA-N	-1	0	266.301	0.792	20	30		CCEDRM
N#CC1(C(=O)NC[C@H]2C[C@H]2C(=O)[O-])CCOCC1	ZINC001350790169	925280605	/nfs/dbraw/zinc/28/06/05/925280605.db2.gz	UUGWLWSIJTXCLV-RKDXNWHRSA-N	-1	0	252.270	0.144	20	30		CCEDRM
N#CCCCC(=O)N1CCC[C@H](Cc2nnn[n-]2)C1	ZINC001352793898	925644692	/nfs/dbraw/zinc/64/46/92/925644692.db2.gz	OLKMFZHZPIQARZ-SNVBAGLBSA-N	-1	0	262.317	0.675	20	30		CCEDRM
C=CCC[C@@H](NC(=O)C1(N2CCOCC2)CC1)C(=O)[O-]	ZINC001354046564	925995837	/nfs/dbraw/zinc/99/58/37/925995837.db2.gz	FBPMKHFVFLXPCP-LLVKDONJSA-N	-1	0	282.340	0.387	20	30		CCEDRM
CC[C@H](C)[C@@H](C)Nc1[n-]c(=O)n(C)c(=O)c1C#N	ZINC001354090000	926011058	/nfs/dbraw/zinc/01/10/58/926011058.db2.gz	NDVLNLIUDCRIKI-JGVFFNPUSA-N	-1	0	250.302	0.792	20	30		CCEDRM
CCc1cc(C([O-])=C(C#N)C(=O)N2CCCC2)nn1C	ZINC001356058451	926339721	/nfs/dbraw/zinc/33/97/21/926339721.db2.gz	BPHXEZPJMRETKQ-LLVKDONJSA-N	-1	0	274.324	0.927	20	30		CCEDRM
CC#CC[C@H](NC(=O)OC(C)(C)C)C(=O)[N-]OCCO	ZINC001358147062	926647092	/nfs/dbraw/zinc/64/70/92/926647092.db2.gz	ADHVGGYMNPQDGE-JTQLQIEISA-N	-1	0	286.328	0.333	20	30		CCEDRM
N#Cc1c[n-]c(=O)n(CC(=O)Nc2ccccc2)c1=O	ZINC001413932257	926933012	/nfs/dbraw/zinc/93/30/12/926933012.db2.gz	SBPROCHVUUAVFB-UHFFFAOYSA-N	-1	0	270.248	0.047	20	30		CCEDRM
CN(CCC#N)C(=O)c1ccc(-n2[nH]c(=O)[n-]c2=O)cc1	ZINC001361686865	927249295	/nfs/dbraw/zinc/24/92/95/927249295.db2.gz	XZFBTLAKIXVJKF-UHFFFAOYSA-N	-1	0	287.279	0.252	20	30		CCEDRM
Cc1ccccc1NC(=O)Cn1cc(C#N)c(=O)[n-]c1=O	ZINC001361746710	927295182	/nfs/dbraw/zinc/29/51/82/927295182.db2.gz	IFVYNQQQAFEPKV-UHFFFAOYSA-N	-1	0	284.275	0.768	20	30		CCEDRM
Cc1cc(C#N)c(=O)[n-]c1C(=O)N(CCO)C1CCC1	ZINC001362372191	927936980	/nfs/dbraw/zinc/93/69/80/927936980.db2.gz	ZVLWZURISWUUSW-UHFFFAOYSA-N	-1	0	275.308	0.954	20	30		CCEDRM
COC(=O)[C@@H]1CCCN1C(=O)c1[n-]c(=O)c(C#N)cc1C	ZINC001362486652	928086764	/nfs/dbraw/zinc/08/67/64/928086764.db2.gz	KYTZZHDUQMRUSO-JTQLQIEISA-N	-1	0	289.291	0.745	20	30		CCEDRM
N#Cc1ccc(C(=O)N2CC[C@@H](O)[C@@H](CO)C2)cc1O	ZINC001362595030	928223343	/nfs/dbraw/zinc/22/33/43/928223343.db2.gz	ZZZQREPHDUAONR-VXGBXAGGSA-N	-1	0	276.292	0.079	20	30		CCEDRM
C[C@H](Oc1ccccn1)C(=O)Nc1nc(C#N)c(C#N)[n-]1	ZINC001362610210	928246354	/nfs/dbraw/zinc/24/63/54/928246354.db2.gz	BEEJRKULPLDZBG-QMMMGPOBSA-N	-1	0	282.263	0.954	20	30		CCEDRM
N#Cc1ccc(C(=O)NCCC(=O)Nc2ncc[nH]2)cc1O	ZINC001362698521	928377001	/nfs/dbraw/zinc/37/70/01/928377001.db2.gz	AMXHYSKMCJIUPA-UHFFFAOYSA-N	-1	0	299.290	0.746	20	30		CCEDRM
CN(C(=O)C(F)(F)c1ccccc1C#N)c1nnn[n-]1	ZINC001362719375	928406301	/nfs/dbraw/zinc/40/63/01/928406301.db2.gz	LYSBUXHCCJFZSK-UHFFFAOYSA-N	-1	0	278.222	0.826	20	30		CCEDRM
Cc1cc(C(=O)N2CC[C@H](c3nnn[n-]3)C2)ncc1C#N	ZINC001362819917	928530864	/nfs/dbraw/zinc/53/08/64/928530864.db2.gz	DXXKLIQMJHACEQ-VIFPVBQESA-N	-1	0	283.295	0.405	20	30		CCEDRM
Cc1cc(C#N)c(=O)[n-]c1C(=O)N1CCC[C@@]1(C)CO	ZINC001362862466	928584774	/nfs/dbraw/zinc/58/47/74/928584774.db2.gz	FKBAXUWQSAJPOC-AWEZNQCLSA-N	-1	0	275.308	0.954	20	30		CCEDRM
N#CC1(CNC(=O)c2c[nH]c3nc(=O)[n-]c(=O)c-3c2)CCC1	ZINC001362892035	928621953	/nfs/dbraw/zinc/62/19/53/928621953.db2.gz	ZZZWQLKLYUXPIX-UHFFFAOYSA-N	-1	0	299.290	0.860	20	30		CCEDRM
CCc1nnc(Sc2[n-]c(=O)n(C)c(=O)c2C#N)o1	ZINC001363160034	928931463	/nfs/dbraw/zinc/93/14/63/928931463.db2.gz	WROWZWWMZVJRGJ-UHFFFAOYSA-N	-1	0	279.281	0.042	20	30		CCEDRM
N#Cc1cn(CCC(=O)N[C@@H]2CC=CCC2)c(=O)[n-]c1=O	ZINC001444358507	929849022	/nfs/dbraw/zinc/84/90/22/929849022.db2.gz	ZDVOMMJNFMZIAC-LLVKDONJSA-N	-1	0	288.307	0.436	20	30		CCEDRM
COc1n[nH]c(NC(=O)c2ccc(C#N)c(OC)c2)n1	ZINC001446191009	930364883	/nfs/dbraw/zinc/36/48/83/930364883.db2.gz	JGIIJAKLXANRFS-UHFFFAOYSA-N	-1	0	273.252	0.946	20	30		CCEDRM
CCc1nnc(CNC(=O)c2[n-]c(=O)c(C#N)cc2C)[nH]1	ZINC001450182000	931242716	/nfs/dbraw/zinc/24/27/16/931242716.db2.gz	TZYXYVDROXUDIX-UHFFFAOYSA-N	-1	0	286.295	0.578	20	30		CCEDRM
O=C([O-])c1ccc(/C=C\C(=O)N[C@@H]2CCCN(O)C2=O)o1	ZINC001601237267	970962150	/nfs/dbraw/zinc/96/21/50/970962150.db2.gz	PMXXOYTXNQHPDZ-XTULLQBASA-N	-1	0	294.263	0.487	20	30		CCEDRM
O=C([O-])CCNN=C1C(=O)Nc2cc(O)c(F)cc21	ZINC001611454529	971060905	/nfs/dbraw/zinc/06/09/05/971060905.db2.gz	LNWVUXWTDYDUSP-UHFFFAOYSA-N	-1	0	267.216	0.252	20	30		CCEDRM
C#CCC1(O)CCN(C(=O)NCCC(=O)[O-])CC1	ZINC001602674916	971243454	/nfs/dbraw/zinc/24/34/54/971243454.db2.gz	FJDAZUQIEFBNTI-UHFFFAOYSA-N	-1	0	254.286	0.021	20	30		CCEDRM
C#CCN(CC(=O)[O-])C(=O)CCc1nc(C(C)C)no1	ZINC001602682350	971267837	/nfs/dbraw/zinc/26/78/37/971267837.db2.gz	NUMPYHZACWLFLD-UHFFFAOYSA-N	-1	0	279.296	0.672	20	30		CCEDRM
C#CCN(C(=O)c1cn(CC(=O)[O-])nn1)c1nccs1	ZINC001602679534	971260406	/nfs/dbraw/zinc/26/04/06/971260406.db2.gz	SECRZDZVKUEBRE-UHFFFAOYSA-N	-1	0	291.292	0.099	20	30		CCEDRM
C#CCN(C(=O)c1cccn(CC(=O)[O-])c1=O)C1CC1	ZINC001602679843	971262586	/nfs/dbraw/zinc/26/25/86/971262586.db2.gz	WYSXKMKWJIDTMO-UHFFFAOYSA-N	-1	0	274.276	0.171	20	30		CCEDRM
C#CCN(CC(=O)[O-])C(=O)NC1CCC(NC(C)=O)CC1	ZINC001602683513	971273027	/nfs/dbraw/zinc/27/30/27/971273027.db2.gz	DVMAVEUZDOGYQE-UHFFFAOYSA-N	-1	0	295.339	0.163	20	30		CCEDRM
C#CCN(CC(=O)[O-])C(=O)COc1ccc(OC)c(C)c1	ZINC001602684371	971280766	/nfs/dbraw/zinc/28/07/66/971280766.db2.gz	YNYLBRNNAPPYRI-UHFFFAOYSA-N	-1	0	291.303	0.929	20	30		CCEDRM
C#CCN(CC(=O)[O-])C(=O)c1cc(C(F)(F)F)ncn1	ZINC001602691643	971296361	/nfs/dbraw/zinc/29/63/61/971296361.db2.gz	QLQUWVQJOJPSSK-UHFFFAOYSA-N	-1	0	287.197	0.655	20	30		CCEDRM
C#CCN(CC(=O)[O-])C(=O)c1cc(-c2cccnc2)nn1C	ZINC001602691764	971298793	/nfs/dbraw/zinc/29/87/93/971298793.db2.gz	XTMJTGCGUWZZNI-UHFFFAOYSA-N	-1	0	298.302	0.642	20	30		CCEDRM
C#CCN(CC(=O)[O-])C(=O)c1cccc(-n2cc[nH]c2=O)c1	ZINC001602692012	971299653	/nfs/dbraw/zinc/29/96/53/971299653.db2.gz	AEYNWYWHFXSUMX-UHFFFAOYSA-N	-1	0	299.286	0.738	20	30		CCEDRM
C#CCN(CC(=O)[O-])C(=O)c1ccn(C(C)(C)C)n1	ZINC001602692097	971300844	/nfs/dbraw/zinc/30/08/44/971300844.db2.gz	FMTHHAQYVCATJU-UHFFFAOYSA-N	-1	0	263.297	0.798	20	30		CCEDRM
C#CCN(CC(=O)[O-])C[C@@H](O)c1ccc(F)cn1	ZINC001602695689	971311066	/nfs/dbraw/zinc/31/10/66/971311066.db2.gz	QBNWOVJXHCQASD-LLVKDONJSA-N	-1	0	252.245	0.274	20	30		CCEDRM
C#CCN(CC(=O)[O-])Cc1cnc(N(C)C)s1	ZINC001602699675	971317973	/nfs/dbraw/zinc/31/79/73/971317973.db2.gz	YOVLWMYVOCERMZ-UHFFFAOYSA-N	-1	0	253.327	0.729	20	30		CCEDRM
C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@H](C)[C@H](C(=O)[O-])C1	ZINC001602701887	971327729	/nfs/dbraw/zinc/32/77/29/971327729.db2.gz	BOEYPBWULFMXBB-XQQFMLRXSA-N	-1	0	278.352	0.653	20	30		CCEDRM
C#CCN(CC(=O)[O-])c1nnc([C@@]2(C)CCCO2)n1C	ZINC001602701102	971326586	/nfs/dbraw/zinc/32/65/86/971326586.db2.gz	WBCRXHONSLCHHJ-CYBMUJFWSA-N	-1	0	278.312	0.365	20	30		CCEDRM
C#C[C@H]1CC[C@H](n2nnnc2N2CC[C@H](C(=O)[O-])C2)CC1	ZINC001602704839	971338512	/nfs/dbraw/zinc/33/85/12/971338512.db2.gz	WXVKNHVOYNMOLA-SRVKXCTJSA-N	-1	0	289.339	0.949	20	30		CCEDRM
C=C(C)C[C@H](NC(C)=O)C(=O)N[C@@H]1CCC[C@@H]1C(=O)[O-]	ZINC001602709811	971347655	/nfs/dbraw/zinc/34/76/55/971347655.db2.gz	KKXLRTRMLUMOOP-TUAOUCFPSA-N	-1	0	282.340	0.827	20	30		CCEDRM
C=CCN(CC=C)C(=O)C(=O)N(C)CCC(=O)[O-]	ZINC001602722699	971388135	/nfs/dbraw/zinc/38/81/35/971388135.db2.gz	IGGUZZQQEYWEKX-UHFFFAOYSA-N	-1	0	254.286	0.120	20	30		CCEDRM
C=CCNC(=O)COC(=O)c1ncccc1C(=O)[O-]	ZINC001602723277	971395660	/nfs/dbraw/zinc/39/56/60/971395660.db2.gz	YUJFZSZIFRACPT-UHFFFAOYSA-N	-1	0	264.237	0.239	20	30		CCEDRM
CC#CC[C@H](CO)NC(=O)C1(C(=O)[O-])CCCCC1	ZINC001602735209	971418278	/nfs/dbraw/zinc/41/82/78/971418278.db2.gz	VRDOCOXDYDRALB-LLVKDONJSA-N	-1	0	267.325	0.912	20	30		CCEDRM
CC#CC[C@@H](CO)NC(=O)C(CC)(CC)C(=O)[O-]	ZINC001602735312	971419231	/nfs/dbraw/zinc/41/92/31/971419231.db2.gz	YTIIBXQKAGNIMJ-JTQLQIEISA-N	-1	0	255.314	0.768	20	30		CCEDRM
CC(=O)NCCN(C(=O)C#CC(C)C)[C@@H](C)C(=O)[O-]	ZINC001602753219	971460963	/nfs/dbraw/zinc/46/09/63/971460963.db2.gz	OFJZUJWWZNEOBZ-JTQLQIEISA-N	-1	0	268.313	0.084	20	30		CCEDRM
C[C@](C#N)(CC(=O)[O-])C(=O)N1CC(O)(c2ccccc2)C1	ZINC001602779097	971514312	/nfs/dbraw/zinc/51/43/12/971514312.db2.gz	RJNWGOYUYPKJHR-CQSZACIVSA-N	-1	0	288.303	0.721	20	30		CCEDRM
C[C@@](C#N)(CC(=O)[O-])C(=O)N1CC2(C1)CCCO2	ZINC001602779462	971516136	/nfs/dbraw/zinc/51/61/36/971516136.db2.gz	ZNPGNDPLTJGXKW-NSHDSACASA-N	-1	0	252.270	0.382	20	30		CCEDRM
C[C@](C#N)(CC(=O)[O-])C(=O)Nc1cccc(C#N)n1	ZINC001602782300	971528669	/nfs/dbraw/zinc/52/86/69/971528669.db2.gz	SPZQRNGTHFOSSK-GFCCVEGCSA-N	-1	0	258.237	0.896	20	30		CCEDRM
N#Cc1ccc(F)cc1CN1CCOC[C@@H]1C(=O)[O-]	ZINC000088378124	949103910	/nfs/dbraw/zinc/10/39/10/949103910.db2.gz	PCNQVTOVJXRIKA-GFCCVEGCSA-N	-1	0	264.256	0.983	20	30		CCEDRM
C[C@@](O)(CNC(=O)Nc1ccc(CC#N)cc1)C(=O)[O-]	ZINC000090278727	949122519	/nfs/dbraw/zinc/12/25/19/949122519.db2.gz	IABJENOKYKDRKW-CYBMUJFWSA-N	-1	0	277.280	0.710	20	30		CCEDRM
C#CCN(CC(=O)[O-])C(=O)c1ccc(OC)cc1O	ZINC000092478069	949147272	/nfs/dbraw/zinc/14/72/72/949147272.db2.gz	DBHGGPIDEFAHJW-UHFFFAOYSA-N	-1	0	263.249	0.561	20	30		CCEDRM
C#CCN(CC(=O)[O-])S(=O)(=O)c1ccc([N+](=O)[O-])cc1	ZINC000092479960	949152565	/nfs/dbraw/zinc/15/25/65/949152565.db2.gz	ABVHTDZHTIBDMP-UHFFFAOYSA-N	-1	0	298.276	0.303	20	30		CCEDRM
C#CCN(CC(=O)[O-])S(=O)(=O)c1ccc(F)cc1F	ZINC000092479901	949152891	/nfs/dbraw/zinc/15/28/91/949152891.db2.gz	KHNKJCBFCIIHFX-UHFFFAOYSA-N	-1	0	289.259	0.673	20	30		CCEDRM
C#CCN(CC(=O)[O-])[C@@H](C)C(=O)N1CCCCC1	ZINC000092481951	949155137	/nfs/dbraw/zinc/15/51/37/949155137.db2.gz	GLMINKKBQQYJSG-NSHDSACASA-N	-1	0	252.314	0.407	20	30		CCEDRM
C#C[C@H](CC)NC(=O)NCC1(C(=O)[O-])CCOCC1	ZINC000230013174	949664101	/nfs/dbraw/zinc/66/41/01/949664101.db2.gz	GEDVRFKEKNJEKA-SNVBAGLBSA-N	-1	0	268.313	0.579	20	30		CCEDRM
CCOC(=O)[C@H](C)[C@H](C)NC(=O)[C@@](C)(C#N)CC(=O)[O-]	ZINC001590058592	950779116	/nfs/dbraw/zinc/77/91/16/950779116.db2.gz	PLAKPSGAXHYXJG-VYUIOLGVSA-N	-1	0	284.312	0.695	20	30		CCEDRM
CCOC(=O)c1cc(C=NNCCC(=O)[O-])[nH]c1C	ZINC001591092245	951064242	/nfs/dbraw/zinc/06/42/42/951064242.db2.gz	ULTMXBQTTORIMV-UHFFFAOYSA-N	-1	0	267.285	0.898	20	30		CCEDRM
C#CCN(CC(=O)[O-])C(=O)NCc1csc(CC)n1	ZINC000328503524	951129353	/nfs/dbraw/zinc/12/93/53/951129353.db2.gz	YOTXVEYBFBEEIK-UHFFFAOYSA-N	-1	0	281.337	0.935	20	30		CCEDRM
CCOCCOCCNC(=O)[C@](C)(C#N)CC(=O)[O-]	ZINC001591925826	951242283	/nfs/dbraw/zinc/24/22/83/951242283.db2.gz	HDASLVQMBBUBGT-LBPRGKRZSA-N	-1	0	272.301	0.160	20	30		CCEDRM
O=C([O-])CCCC=NN1C(=O)c2ccncc2C1=O	ZINC001595031338	951369696	/nfs/dbraw/zinc/36/96/96/951369696.db2.gz	KLQKNNHDQSFOKL-UHFFFAOYSA-N	-1	0	261.237	0.918	20	30		CCEDRM
C[C@H]1CC[C@@H](C(=O)[O-])CN1Cn1cccc(C#N)c1=O	ZINC001589307574	953754731	/nfs/dbraw/zinc/75/47/31/953754731.db2.gz	ACMDSWYOEZRENM-CMPLNLGQSA-N	-1	0	275.308	0.863	20	30		CCEDRM
C[C@@H]1CCN(C(=O)C2(C#N)CCOCC2)C[C@H]1C(=O)[O-]	ZINC001589336487	953996821	/nfs/dbraw/zinc/99/68/21/953996821.db2.gz	MIKWCBPCCFCPEM-GHMZBOCLSA-N	-1	0	280.324	0.876	20	30		CCEDRM
C[C@@H]1CN(C(=O)C2(C#N)CCOCC2)CC[C@@H]1C(=O)[O-]	ZINC001589366229	954197590	/nfs/dbraw/zinc/19/75/90/954197590.db2.gz	KZJVIEUHOFBBGN-MNOVXSKESA-N	-1	0	280.324	0.876	20	30		CCEDRM
C[C@@H]1CN(C(=O)[C@@]2(C(=O)[O-])CCCO2)C[C@H](C)N1CC#N	ZINC001589374127	954235025	/nfs/dbraw/zinc/23/50/25/954235025.db2.gz	JCNBCSBZRFMVQJ-UHIISALHSA-N	-1	0	295.339	0.065	20	30		CCEDRM
CC[C@H](CNC(=O)N1CCO[C@](C)(C#N)C1)C(=O)[O-]	ZINC001589528983	955140029	/nfs/dbraw/zinc/14/00/29/955140029.db2.gz	OXMPTAPCOIBGPC-BXKDBHETSA-N	-1	0	269.301	0.421	20	30		CCEDRM
COC(=O)CCN(CC(=O)[O-])C(=O)[C@@H](C)CC#N	ZINC001593836169	955314168	/nfs/dbraw/zinc/31/41/68/955314168.db2.gz	SSOLSESKBBWCIQ-QMMMGPOBSA-N	-1	0	256.258	0.012	20	30		CCEDRM
C[C@@H](CCC#N)CN1CCS(=O)(=O)C[C@@H]1C(=O)[O-]	ZINC001589012858	955396230	/nfs/dbraw/zinc/39/62/30/955396230.db2.gz	KIWNRIICZHKOAP-VHSXEESVSA-N	-1	0	274.342	0.110	20	30		CCEDRM
N#C[C@@H](C(=O)NC1CC1)C(=O)[C@H]1CC[C@@H](C(=O)[O-])C1	ZINC001594600618	956122341	/nfs/dbraw/zinc/12/23/41/956122341.db2.gz	ANJXUHMHCOWZRN-QXFUBDJGSA-N	-1	0	264.281	0.475	20	30		CCEDRM
N#CC1(CCCN2CCOC[C@@H]2C(=O)[O-])CCOCC1	ZINC001594604156	956161498	/nfs/dbraw/zinc/16/14/98/956161498.db2.gz	QUYDJNSLEPTSEI-GFCCVEGCSA-N	-1	0	282.340	0.872	20	30		CCEDRM
N#CC1(CNC(=O)C2(C(=O)[O-])CCC2)CCOCC1	ZINC001594604457	956162847	/nfs/dbraw/zinc/16/28/47/956162847.db2.gz	WKJGUAJGVFUGKF-UHFFFAOYSA-N	-1	0	266.297	0.678	20	30		CCEDRM
N#C[C@@H]1CN(C(=O)C(=O)[O-])CCN1Cc1ccccc1	ZINC001594605314	956164417	/nfs/dbraw/zinc/16/44/17/956164417.db2.gz	BDTWKYAWBFWDFU-GFCCVEGCSA-N	-1	0	273.292	0.308	20	30		CCEDRM
N#CCC(=O)N1CCN(Cc2cccc(C(=O)[O-])c2)CC1	ZINC001594605590	956169662	/nfs/dbraw/zinc/16/96/62/956169662.db2.gz	HERZZZRFNDZXBM-UHFFFAOYSA-N	-1	0	287.319	0.943	20	30		CCEDRM
N#C[C@H]1CCCN(C(=O)C(=O)N[C@H]2CC[C@@H](C(=O)[O-])C2)C1	ZINC001594606167	956178942	/nfs/dbraw/zinc/17/89/42/956178942.db2.gz	RIOUXZIZJITYIT-MXWKQRLJSA-N	-1	0	293.323	0.118	20	30		CCEDRM
N#CCCCOc1cccnc1NC(=O)NCC(=O)[O-]	ZINC001594608756	956186017	/nfs/dbraw/zinc/18/60/17/956186017.db2.gz	ABNZJOQKJOPOKD-UHFFFAOYSA-N	-1	0	278.268	0.970	20	30		CCEDRM
N#CCCCOC(=O)[C@H]1CCCN(CC(=O)[O-])C1=O	ZINC001594608821	956187706	/nfs/dbraw/zinc/18/77/06/956187706.db2.gz	BYPNYBGFCRBEPN-VIFPVBQESA-N	-1	0	268.269	0.157	20	30		CCEDRM
N#CCN1CCC(CNC(=O)CCC(=O)[O-])CC1	ZINC001594609526	956193054	/nfs/dbraw/zinc/19/30/54/956193054.db2.gz	CRXPRNCCQGAUHY-UHFFFAOYSA-N	-1	0	253.302	0.203	20	30		CCEDRM
N#CCN(CCS(=O)(=O)CC(=O)[O-])C1CCCC1	ZINC001594610341	956201762	/nfs/dbraw/zinc/20/17/62/956201762.db2.gz	WKRQUBRMKNZHTE-UHFFFAOYSA-N	-1	0	274.342	0.254	20	30		CCEDRM
N#CCN1CCN(C(=O)[C@H](C(=O)[O-])C2CCCC2)CC1	ZINC001594610370	956202149	/nfs/dbraw/zinc/20/21/49/956202149.db2.gz	XYDRJDQVOJECHQ-GFCCVEGCSA-N	-1	0	279.340	0.545	20	30		CCEDRM
N#CCSCC(=O)NC[C@H]1CCC2(CC(C(=O)[O-])C2)O1	ZINC001594610932	956207786	/nfs/dbraw/zinc/20/77/86/956207786.db2.gz	CVMGZHXTVCCIHG-RUETXSTFSA-N	-1	0	298.364	0.772	20	30		CCEDRM
C[C@](O)(CNC(=O)C(=O)/C=C/c1ccc(F)cc1)C(=O)[O-]	ZINC001589138705	956252529	/nfs/dbraw/zinc/25/25/29/956252529.db2.gz	SXMBYGKHRXOKCD-GBXSZLQWSA-N	-1	0	295.266	0.360	20	30		CCEDRM
N#Cc1ccc(C[C@H](C#N)C(=O)OCC(=O)C(=O)[O-])cc1	ZINC001594618182	956261634	/nfs/dbraw/zinc/26/16/34/956261634.db2.gz	HPQQSAJVTSBDCS-LLVKDONJSA-N	-1	0	286.243	0.437	20	30		CCEDRM
N#Cc1ccc([C@@H](O)C(=O)OCCCC(=O)[O-])cc1	ZINC001594618683	956265743	/nfs/dbraw/zinc/26/57/43/956265743.db2.gz	VXCDWIPJRXVXMV-GFCCVEGCSA-N	-1	0	263.249	1.000	20	30		CCEDRM
C[C@](O)(CNC(=O)c1cccc(F)c1C#N)C(=O)[O-]	ZINC001589144405	956276527	/nfs/dbraw/zinc/27/65/27/956276527.db2.gz	KTQIFZVRKDVVHE-LBPRGKRZSA-N	-1	0	266.228	0.263	20	30		CCEDRM
N#Cc1cccc(C(=O)N2C[C@H]3COC[C@@]3(C(=O)[O-])C2)n1	ZINC001594625176	956307680	/nfs/dbraw/zinc/30/76/80/956307680.db2.gz	FQUJHEMXIQNLKO-XPTSAGLGSA-N	-1	0	287.275	0.126	20	30		CCEDRM
N#Cc1cccc(C(=O)N2CCC[C@@H](C(=O)[O-])C2)n1	ZINC001594625475	956310360	/nfs/dbraw/zinc/31/03/60/956310360.db2.gz	IMYVYGYPZQHKTJ-SECBINFHSA-N	-1	0	259.265	0.890	20	30		CCEDRM
N#Cc1cccc(NC(=O)CN[C@]2(C(=O)[O-])CCOC2)c1	ZINC001594628272	956328068	/nfs/dbraw/zinc/32/80/68/956328068.db2.gz	HGYFJASQSIVCSQ-CQSZACIVSA-N	-1	0	289.291	0.330	20	30		CCEDRM
N#Cc1cccc(NC(=O)CN[C@@]2(C(=O)[O-])CCOC2)c1	ZINC001594628271	956328104	/nfs/dbraw/zinc/32/81/04/956328104.db2.gz	HGYFJASQSIVCSQ-AWEZNQCLSA-N	-1	0	289.291	0.330	20	30		CCEDRM
N#Cc1sccc1C(=O)O[C@H]1CCN(CC(=O)[O-])C1=O	ZINC001594635941	956371786	/nfs/dbraw/zinc/37/17/86/956371786.db2.gz	YTOGXQUGFYUOGQ-QMMMGPOBSA-N	-1	0	294.288	0.462	20	30		CCEDRM
O=C(C#CC1CC1)NCC1(C(=O)[O-])CCOCC1	ZINC001594668714	956601253	/nfs/dbraw/zinc/60/12/53/956601253.db2.gz	YXFAQDWLRUSUTP-UHFFFAOYSA-N	-1	0	251.282	0.397	20	30		CCEDRM
CC1(C)C[C@@]1(C(=O)[O-])C(=O)N1CCN(C2CC2)[C@@H](C#N)C1	ZINC001589212269	956700761	/nfs/dbraw/zinc/70/07/61/956700761.db2.gz	IDCMMVWAABONIS-NHYWBVRUSA-N	-1	0	291.351	0.686	20	30		CCEDRM
CC1(C)C[C@@]1(C(=O)[O-])C(=O)OCC1(C#N)COC1	ZINC001589217485	956736571	/nfs/dbraw/zinc/73/65/71/956736571.db2.gz	KHBPZQSCGOGYAJ-GFCCVEGCSA-N	-1	0	253.254	0.571	20	30		CCEDRM
CC1(C)CCCN(C(=O)[C@@H]2CC(C(=O)[O-])=NO2)[C@H]1C#N	ZINC001589225950	956794604	/nfs/dbraw/zinc/79/46/04/956794604.db2.gz	PTULYANGHXSJDS-UWVGGRQHSA-N	-1	0	279.296	0.757	20	30		CCEDRM
C#C[C@@H](NC(=O)NCCSCC(=O)[O-])C(C)C	ZINC000389448978	972225965	/nfs/dbraw/zinc/22/59/65/972225965.db2.gz	QORQBXKNLWRTKE-SECBINFHSA-N	-1	0	258.343	0.761	20	30		CCEDRM
COCCN(CCC(=O)[O-])C(=O)c1cnccc1C#N	ZINC001594010502	956989053	/nfs/dbraw/zinc/98/90/53/956989053.db2.gz	OEZVOIKFEWQCLG-UHFFFAOYSA-N	-1	0	277.280	0.517	20	30		CCEDRM
C[C@@H](C#N)CNS(=O)(=O)c1ccsc1C(=O)[O-]	ZINC000054156619	957522605	/nfs/dbraw/zinc/52/26/05/957522605.db2.gz	OYRJDEGMXPTMAA-LURJTMIESA-N	-1	0	274.323	0.884	20	30		CCEDRM
CC[C@H](CC#N)NS(=O)(=O)c1n[nH]cc1C(=O)[O-]	ZINC000054176984	957522646	/nfs/dbraw/zinc/52/26/46/957522646.db2.gz	NHZAGUSYONWFIN-ZCFIWIBFSA-N	-1	0	272.286	0.078	20	30		CCEDRM
C[C@H](Oc1ccc(C#N)cc1)C(=O)N1CC(C(=O)[O-])C1	ZINC000071172656	957702703	/nfs/dbraw/zinc/70/27/03/957702703.db2.gz	BGFMRUOPMXEUGA-VIFPVBQESA-N	-1	0	274.276	0.869	20	30		CCEDRM
C#C[C@H](NC(=O)Nc1ccn(CC(=O)[O-])n1)[C@H]1CCCO1	ZINC001588385321	957969481	/nfs/dbraw/zinc/96/94/81/957969481.db2.gz	DSXUZUORKVTOBA-VHSXEESVSA-N	-1	0	292.295	0.270	20	30		CCEDRM
C#CC1(O)CCN(C(=O)[C@H](C(=O)[O-])C2CCCC2)CC1	ZINC001588385290	957969776	/nfs/dbraw/zinc/96/97/76/957969776.db2.gz	CHTFURDFVSKCIR-GFCCVEGCSA-N	-1	0	279.336	0.864	20	30		CCEDRM
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C#CCN(CC(=O)[O-])c1nnc(-c2cnns2)n1CC	ZINC001588426664	958230135	/nfs/dbraw/zinc/23/01/35/958230135.db2.gz	WGFPPHCMRXCVPK-UHFFFAOYSA-N	-1	0	292.324	0.341	20	30		CCEDRM
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C#CCN(CC(=O)[O-])c1nnnn1C[C@@H]1CCCS1	ZINC001588426847	958235778	/nfs/dbraw/zinc/23/57/78/958235778.db2.gz	DPHXOCWJDMEZHC-VIFPVBQESA-N	-1	0	281.341	0.093	20	30		CCEDRM
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C#CCN1CCC[C@@H](NC(=O)N2CCC(C(=O)[O-])CC2)C1	ZINC001588430185	958252845	/nfs/dbraw/zinc/25/28/45/958252845.db2.gz	JKUHVCVTEIXFNO-CYBMUJFWSA-N	-1	0	293.367	0.590	20	30		CCEDRM
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Cc1c[nH]c(=O)c(CNC(=O)[C@](C)(C#N)CC(=O)[O-])c1	ZINC001574307121	960744484	/nfs/dbraw/zinc/74/44/84/960744484.db2.gz	SYBBVVVRYFZSBG-ZDUSSCGKSA-N	-1	0	277.280	0.716	20	30		CCEDRM
N#CC1(C(=O)NCCSCC(=O)[O-])CCOCC1	ZINC001319413559	960946073	/nfs/dbraw/zinc/94/60/73/960946073.db2.gz	CJIZYVBSEKHSGP-UHFFFAOYSA-N	-1	0	272.326	0.241	20	30		CCEDRM
CC(C)(CC#N)CNC(=O)[C@@H]1CCCN(CC(=O)[O-])C1=O	ZINC001588754954	961218743	/nfs/dbraw/zinc/21/87/43/961218743.db2.gz	RXJNBBGCPZKAQO-JTQLQIEISA-N	-1	0	295.339	0.366	20	30		CCEDRM
CCN(CCC#N)S(=O)(=O)N1[C@H](C)CC[C@@H]1C(=O)[O-]	ZINC001573879688	961270151	/nfs/dbraw/zinc/27/01/51/961270151.db2.gz	OZQCSXXBENHVTF-NXEZZACHSA-N	-1	0	289.357	0.404	20	30		CCEDRM
Cc1nccnc1[C@@H](C)NC(=O)[C@](C)(C#N)CC(=O)[O-]	ZINC001574429711	961388814	/nfs/dbraw/zinc/38/88/14/961388814.db2.gz	YCPUAZBZZZRWPF-RNCFNFMXSA-N	-1	0	276.296	0.967	20	30		CCEDRM
CC(C)[C@H](C(=O)[O-])C(=O)NCCNc1ccc(C#N)cn1	ZINC001588805155	961474819	/nfs/dbraw/zinc/47/48/19/961474819.db2.gz	QBCOHHMIODTGNS-LBPRGKRZSA-N	-1	0	290.323	0.838	20	30		CCEDRM
Cn1nccc1[C@@H](NC(=O)c1coc(C#N)c1)C(=O)[O-]	ZINC001574473099	961620259	/nfs/dbraw/zinc/62/02/59/961620259.db2.gz	VBRCVFTYGOKTOG-SNVBAGLBSA-N	-1	0	274.236	0.440	20	30		CCEDRM
CC[C@H](NC(=O)Nc1nn(C)cc1C#N)C(=O)[O-]	ZINC001573944008	961634110	/nfs/dbraw/zinc/63/41/10/961634110.db2.gz	QGGRJTWTBWPESU-ZETCQYMHSA-N	-1	0	251.246	0.276	20	30		CCEDRM
N#C[C@H]1C[C@H]1C(=O)N(CCC(=O)[O-])C1CCOCC1	ZINC001574479118	961647350	/nfs/dbraw/zinc/64/73/50/961647350.db2.gz	DDMSMDNWANZCIW-MWLCHTKSSA-N	-1	0	266.297	0.628	20	30		CCEDRM
N#C[C@H]1CC[C@@H](NC(=O)[C@@H]2CC(C(=O)[O-])=NO2)C1	ZINC001574479456	961650613	/nfs/dbraw/zinc/65/06/13/961650613.db2.gz	IGSBGNUZCAOJQK-OOZYFLPDSA-N	-1	0	251.242	0.024	20	30		CCEDRM
N#Cc1ncc(N(CC(=O)[O-])CC2CC2)nc1C#N	ZINC001574492778	961713637	/nfs/dbraw/zinc/71/36/37/961713637.db2.gz	AHUHFYPDERFBHZ-UHFFFAOYSA-N	-1	0	257.253	0.521	20	30		CCEDRM
CO[C@@H](C(=O)[O-])C(=O)Nc1cnc(Cl)cc1C#N	ZINC001574105801	962436430	/nfs/dbraw/zinc/43/64/30/962436430.db2.gz	RNKBDDATFUNAFN-MRVPVSSYSA-N	-1	0	269.644	0.645	20	30		CCEDRM
CC(C)[C@H](C#N)NC(=O)c1cc(C(=O)[O-])nn1C	ZINC001588954710	962587044	/nfs/dbraw/zinc/58/70/44/962587044.db2.gz	NMOXAYAMAURLMX-QMMMGPOBSA-N	-1	0	250.258	0.396	20	30		CCEDRM
C#C[C@@H](NC(=O)N1C[C@@H](C)[C@H](CC(=O)[O-])C1)[C@H]1CCCO1	ZINC001573303369	962675174	/nfs/dbraw/zinc/67/51/74/962675174.db2.gz	XFENLFPOPGPUMI-FDYHWXHSSA-N	-1	0	294.351	0.919	20	30		CCEDRM
C#CC[C@H](NC(=O)CC[C@H](O)CCCC)C(=O)[O-]	ZINC001573303337	962675415	/nfs/dbraw/zinc/67/54/15/962675415.db2.gz	WVYJJCNDKFGNPH-MNOVXSKESA-N	-1	0	255.314	0.910	20	30		CCEDRM
CON=CC(=O)N[C@H](Cc1ccccc1)C(=O)[O-]	ZINC001574170134	962762649	/nfs/dbraw/zinc/76/26/49/962762649.db2.gz	UPGPGJHZSUPOQO-SNVBAGLBSA-N	-1	0	250.254	0.431	20	30		CCEDRM
C=C(C)CCC(=O)N1C[C@@H](C)[C@H](NC(=O)CNC(=O)[O-])C1	ZINC001573323614	962774539	/nfs/dbraw/zinc/77/45/39/962774539.db2.gz	DHFMQLFDLMMNNN-GHMZBOCLSA-N	-1	0	297.355	0.573	20	30		CCEDRM
C=C(C)C[C@H](NS(=O)(=O)c1cccnc1C#N)C(=O)[O-]	ZINC001573324587	962787343	/nfs/dbraw/zinc/78/73/43/962787343.db2.gz	VBMGMGDBWIGHIB-VIFPVBQESA-N	-1	0	295.320	0.651	20	30		CCEDRM
C[C@@H](CC(=O)[O-])NC(=O)[C@H](O)c1ccc(C#N)cc1	ZINC001588993954	962822552	/nfs/dbraw/zinc/82/25/52/962822552.db2.gz	XRRXLRURECXXIC-QPUJVOFHSA-N	-1	0	262.265	0.571	20	30		CCEDRM
C=C(CCC(=O)[O-])C(=O)N1CC[C@@](C)(C(=O)NC)C1	ZINC001573332152	962826530	/nfs/dbraw/zinc/82/65/30/962826530.db2.gz	JLWVDXFIVCJJFB-CYBMUJFWSA-N	-1	0	268.313	0.392	20	30		CCEDRM
C=C(CCC(=O)[O-])C(=O)N1CCc2ncncc2C1	ZINC001573332432	962833429	/nfs/dbraw/zinc/83/34/29/962833429.db2.gz	NFJYAZCMJYRWQL-UHFFFAOYSA-N	-1	0	261.281	0.782	20	30		CCEDRM
C=C(CCC(=O)[O-])C(=O)NCCCn1cncn1	ZINC001573332469	962834712	/nfs/dbraw/zinc/83/47/12/962834712.db2.gz	JWLSURCWXAIIEA-UHFFFAOYSA-N	-1	0	252.274	0.205	20	30		CCEDRM
C=C(CCC(=O)[O-])C(=O)N[C@@H](C)[C@@H](O)C(F)(F)F	ZINC001573332722	962840549	/nfs/dbraw/zinc/84/05/49/962840549.db2.gz	QVXPXQISMYEUEX-POYBYMJQSA-N	-1	0	269.219	0.835	20	30		CCEDRM
C=C(CCC(=O)[O-])C(=O)Nn1nnc2c1CCCC2	ZINC001573339736	962894539	/nfs/dbraw/zinc/89/45/39/962894539.db2.gz	XELPOBCXKOOCFM-UHFFFAOYSA-N	-1	0	264.285	0.648	20	30		CCEDRM
C=C(Cl)CN1CC[C@@H](NC(=O)CNC(=O)[O-])C1	ZINC001573339994	962899134	/nfs/dbraw/zinc/89/91/34/962899134.db2.gz	ZKXZBQDDKWYGQI-MRVPVSSYSA-N	-1	0	261.709	0.197	20	30		CCEDRM
C=C(CO)C(=O)N[C@@]1(C(=O)[O-])C[C@H](OCC)C1(C)C	ZINC001573340031	962899215	/nfs/dbraw/zinc/89/92/15/962899215.db2.gz	ZWOFJQMUQFZENY-TVQRCGJNSA-N	-1	0	271.313	0.310	20	30		CCEDRM
C=CCCC(=O)N[C@H]1C[C@@H](NC(=O)[C@H]2C[C@@H]2C(=O)[O-])C1	ZINC001573352949	962994655	/nfs/dbraw/zinc/99/46/55/962994655.db2.gz	NDTPOXYXRQEJTN-VLEAKVRGSA-N	-1	0	280.324	0.437	20	30		CCEDRM
C=CCCC[C@H](NC(=O)CCCS(C)(=O)=O)C(=O)[O-]	ZINC001573358037	963024151	/nfs/dbraw/zinc/02/41/51/963024151.db2.gz	WFKHDMCULXNHLF-JTQLQIEISA-N	-1	0	291.369	0.737	20	30		CCEDRM
C[C@H](C#N)CN(C)S(=O)(=O)N[C@H]1CCC[C@H]1C(=O)[O-]	ZINC001573362809	963046249	/nfs/dbraw/zinc/04/62/49/963046249.db2.gz	FPKBAPDMXWRNSJ-BBBLOLIVSA-N	-1	0	289.357	0.166	20	30		CCEDRM
C=CCCCNS(=O)(=O)c1n[nH]c(C)c1C(=O)[O-]	ZINC001573365396	963053796	/nfs/dbraw/zinc/05/37/96/963053796.db2.gz	GBILNMHNMIZUTN-UHFFFAOYSA-N	-1	0	273.314	0.661	20	30		CCEDRM
N#Cc1nccn1CSc1nccc(C(=O)[O-])n1	ZINC001570976332	963056268	/nfs/dbraw/zinc/05/62/68/963056268.db2.gz	HPGGLDHLLQYMKJ-UHFFFAOYSA-N	-1	0	261.266	0.993	20	30		CCEDRM
C=CCOC[C@@H](NC(=O)CC(C)(C)C#N)C(=O)[O-]	ZINC001573368521	963081165	/nfs/dbraw/zinc/08/11/65/963081165.db2.gz	GGFGHPKAHJJFAC-SECBINFHSA-N	-1	0	254.286	0.698	20	30		CCEDRM
C=C[C@@H]1OCC[C@H]1C(=O)N[C@H](Cc1ccncc1)C(=O)[O-]	ZINC001573379528	963108106	/nfs/dbraw/zinc/10/81/06/963108106.db2.gz	LZARVFNEDLKSAP-UPJWGTAASA-N	-1	0	290.319	0.785	20	30		CCEDRM
C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H](Cc1ccncc1)C(=O)[O-]	ZINC001573379527	963108202	/nfs/dbraw/zinc/10/82/02/963108202.db2.gz	LZARVFNEDLKSAP-AGIUHOORSA-N	-1	0	290.319	0.785	20	30		CCEDRM
C#CCN(CC#N)S(=O)(=O)c1ccc(C(=O)[O-])o1	ZINC000305937002	963164514	/nfs/dbraw/zinc/16/45/14/963164514.db2.gz	QGNPUVUQLBMMDZ-UHFFFAOYSA-N	-1	0	268.250	0.125	20	30		CCEDRM
N#CCc1cccc(NC(=O)N2CC(NC(=O)[O-])C2)n1	ZINC001571002353	963223429	/nfs/dbraw/zinc/22/34/29/963223429.db2.gz	VCXOASPAXIENNI-UHFFFAOYSA-N	-1	0	275.268	0.631	20	30		CCEDRM
COC(=O)[C@H]1CCN(C(=O)[C@@H]2C[C@@H]2C#N)[C@H](C(=O)[O-])C1	ZINC001571013540	963299255	/nfs/dbraw/zinc/29/92/55/963299255.db2.gz	LOTDXENSXAKNHZ-JLIMGVALSA-N	-1	0	280.280	0.011	20	30		CCEDRM
C=CCCN(C)S(=O)(=O)c1cc(C(=O)[O-])no1	ZINC000316338860	964004176	/nfs/dbraw/zinc/00/41/76/964004176.db2.gz	ZWVULNZGDULXQN-UHFFFAOYSA-N	-1	0	260.271	0.569	20	30		CCEDRM
C#CCCCC(=O)N(C)CCNC(=O)[C@@H]1C[C@H]1C(=O)[O-]	ZINC001588435443	964022598	/nfs/dbraw/zinc/02/25/98/964022598.db2.gz	QIRFVZDOISEWCY-GHMZBOCLSA-N	-1	0	280.324	0.085	20	30		CCEDRM
C#Cc1ccc(C(=O)Nc2c[nH]nc2C(=O)[O-])nc1	ZINC001588439766	964031394	/nfs/dbraw/zinc/03/13/94/964031394.db2.gz	ZUBYCUUCLYFILI-UHFFFAOYSA-N	-1	0	256.221	0.737	20	30		CCEDRM
C#CCCCCNC(=O)N1CC[C@]2(CC(C(=O)[O-])=NO2)C1	ZINC001588441304	964050920	/nfs/dbraw/zinc/05/09/20/964050920.db2.gz	DBGHISOHNGJCRD-AWEZNQCLSA-N	-1	0	293.323	0.805	20	30		CCEDRM
C=C(C)Cn1c(N2CC[C@H](C(=O)[O-])C2)nnc1C(C)(C)O	ZINC001588441905	964055172	/nfs/dbraw/zinc/05/51/72/964055172.db2.gz	GDKLRUCDBRTJIO-JTQLQIEISA-N	-1	0	294.355	0.993	20	30		CCEDRM
C#CCN(CC(=O)[O-])Cc1nnnn1Cc1ccccc1	ZINC000092481970	967595291	/nfs/dbraw/zinc/59/52/91/967595291.db2.gz	ZKOIZQRAEVWSAW-UHFFFAOYSA-N	-1	0	285.307	0.241	20	30		CCEDRM
C#CCN(CC(=O)[O-])CC(=O)N1[C@H](C)CCC[C@@H]1C	ZINC000092484522	967597103	/nfs/dbraw/zinc/59/71/03/967597103.db2.gz	LZZVADSFHCPLOX-TXEJJXNPSA-N	-1	0	266.341	0.796	20	30		CCEDRM
N#Cc1ccc(CNC(=O)COCC(=O)[O-])cc1F	ZINC000404257794	968325219	/nfs/dbraw/zinc/32/52/19/968325219.db2.gz	MWPFFKLXIALYTQ-UHFFFAOYSA-N	-1	0	266.228	0.415	20	30		CCEDRM
CC#CCN1CCC[C@H](NC(=O)C(F)(F)F)[C@H]1C(=O)[O-]	ZINC001588478501	969884082	/nfs/dbraw/zinc/88/40/82/969884082.db2.gz	CSTVUOVPUDSOKN-IUCAKERBSA-N	-1	0	292.257	0.606	20	30		CCEDRM
CC(N=Nc1ncc(F)cc1F)c1cn(CC(=O)[O-])nn1	ZINC001609645869	970435478	/nfs/dbraw/zinc/43/54/78/970435478.db2.gz	YLEBDGHVPRZMEG-UHFFFAOYSA-N	-1	0	296.237	0.872	20	30		CCEDRM
C[C@@H](CC(=O)[O-])NC(=O)C(=O)Nc1cccc(CC#N)c1	ZINC001609865381	970558046	/nfs/dbraw/zinc/55/80/46/970558046.db2.gz	XDDNHIMCUIDZAV-VIFPVBQESA-N	-1	0	289.291	0.671	20	30		CCEDRM
C[C@H](CN(C)C(=O)C(=O)Nc1ccc(C#N)cn1)C(=O)[O-]	ZINC001609887498	970580013	/nfs/dbraw/zinc/58/00/13/970580013.db2.gz	LIKQHBRLTXWVQR-MRVPVSSYSA-N	-1	0	290.279	0.071	20	30		CCEDRM
CC1(C)C[C@@]1(C(=O)[O-])C(=O)N1CCO[C@](C)(C#N)C1	ZINC001603290486	972545836	/nfs/dbraw/zinc/54/58/36/972545836.db2.gz	NWJAHOGUIFBSSQ-OLZOCXBDSA-N	-1	0	266.297	0.628	20	30		CCEDRM
Cc1cc(C(=O)[O-])cc(C(=O)NCCn2cnc(C#N)n2)c1	ZINC001605138013	972801805	/nfs/dbraw/zinc/80/18/05/972801805.db2.gz	BCXSREKKTCDLOI-UHFFFAOYSA-N	-1	0	299.290	0.586	20	30		CCEDRM
C[C@H]1C[C@H](C(=O)[O-])CN(C(=O)C(=O)NCCCCC#N)C1	ZINC001603355907	972807794	/nfs/dbraw/zinc/80/77/94/972807794.db2.gz	YCPFTTBJQLKITC-QWRGUYRKSA-N	-1	0	295.339	0.366	20	30		CCEDRM
COC(=O)C1(COC(=O)[C@](C)(C#N)CC(=O)[O-])CC1	ZINC001604275446	972837270	/nfs/dbraw/zinc/83/72/70/972837270.db2.gz	AJWZQPLYQJXIQS-NSHDSACASA-N	-1	0	269.253	0.487	20	30		CCEDRM
CCCN(CC(=O)[O-])Cn1ccc(C)c(C#N)c1=O	ZINC001605310327	973137025	/nfs/dbraw/zinc/13/70/25/973137025.db2.gz	LJFRPUUNGNQRNM-UHFFFAOYSA-N	-1	0	263.297	0.783	20	30		CCEDRM
N#CCc1ccc(CN2CCNC(=O)[C@@H]2CC(=O)[O-])cc1	ZINC000399035501	973188394	/nfs/dbraw/zinc/18/83/94/973188394.db2.gz	NXKGNQCMYZGIDE-ZDUSSCGKSA-N	-1	0	287.319	0.528	20	30		CCEDRM
CC[C@H](C#N)C(=O)N[C@@H](CCC(=O)OC)C(=O)[O-]	ZINC001603487763	973415125	/nfs/dbraw/zinc/41/51/25/973415125.db2.gz	BPBQDEFKPCCZCB-SFYZADRCSA-N	-1	0	256.258	0.059	20	30		CCEDRM
COCC#CC(=O)N1C[C@@H](c2ccccc2)[C@H](C(=O)[O-])C1	ZINC001604505043	973432180	/nfs/dbraw/zinc/43/21/80/973432180.db2.gz	NUJCRSHBMZZDPR-UONOGXRCSA-N	-1	0	287.315	0.963	20	30		CCEDRM
Cc1nnc(CCNC(=O)[C@](C)(C#N)CC(=O)[O-])s1	ZINC001605440160	973490743	/nfs/dbraw/zinc/49/07/43/973490743.db2.gz	BYHXVRSDXKRPAC-NSHDSACASA-N	-1	0	282.325	0.510	20	30		CCEDRM
COC[C@]1(C(=O)[O-])CCN(Cc2nc(C#N)cs2)C1	ZINC001604541718	973525637	/nfs/dbraw/zinc/52/56/37/973525637.db2.gz	SZOJXAFRDGNALM-LBPRGKRZSA-N	-1	0	281.337	0.938	20	30		CCEDRM
N#Cc1cc(F)ccc1CN1C[C@H](O)C[C@@H](C(=O)[O-])C1	ZINC000401924115	973537721	/nfs/dbraw/zinc/53/77/21/973537721.db2.gz	QAGRYAAHHCWQCS-DGCLKSJQSA-N	-1	0	278.283	0.965	20	30		CCEDRM
COCC[C@@](C)(C#N)NC(=O)c1ccc(C(=O)[O-])cn1	ZINC001604573632	973652053	/nfs/dbraw/zinc/65/20/53/973652053.db2.gz	JMDYUAXKFNXOLD-ZDUSSCGKSA-N	-1	0	277.280	0.828	20	30		CCEDRM
COCCN(CCC(=O)[O-])C(=O)NC[C@@H](C)C#N	ZINC001604599722	973698935	/nfs/dbraw/zinc/69/89/35/973698935.db2.gz	BFIZLKSTUFOLQL-VIFPVBQESA-N	-1	0	257.290	0.279	20	30		CCEDRM
Cn1nc(C(=O)[O-])cc1C(=O)N[C@@H](C#N)C1CCCC1	ZINC001605534184	973727079	/nfs/dbraw/zinc/72/70/79/973727079.db2.gz	YYRHPFCWCDSGON-JTQLQIEISA-N	-1	0	276.296	0.930	20	30		CCEDRM
Cn1nc(C(=O)[O-])cc1CNCc1nc(C#N)cs1	ZINC001605544681	973746871	/nfs/dbraw/zinc/74/68/71/973746871.db2.gz	AHYRIFAAEZOXEG-UHFFFAOYSA-N	-1	0	277.309	0.736	20	30		CCEDRM
N#CC1(CNC(=O)[C@@H]2CC(C(=O)[O-])=NO2)CCCCC1	ZINC001605576181	973844802	/nfs/dbraw/zinc/84/48/02/973844802.db2.gz	KRYBHTPACTVZQI-JTQLQIEISA-N	-1	0	279.296	0.806	20	30		CCEDRM
N#CCC1(CNC(=O)[C@@]2(C(=O)[O-])CCCO2)CC1	ZINC001605581798	973861420	/nfs/dbraw/zinc/86/14/20/973861420.db2.gz	MOBNLOQISAENOY-GFCCVEGCSA-N	-1	0	252.270	0.430	20	30		CCEDRM
N#CCC1(CNC(=O)N2CCO[C@H](C(=O)[O-])C2)CC1	ZINC001605581955	973862219	/nfs/dbraw/zinc/86/22/19/973862219.db2.gz	QGMLTWLVENZFNR-VIFPVBQESA-N	-1	0	267.285	0.175	20	30		CCEDRM
N#CC1(OCCOC(=O)C2(C(=O)[O-])CCC2)CCOCC1	ZINC001605582673	973867741	/nfs/dbraw/zinc/86/77/41/973867741.db2.gz	CIIITDNZPAGEPM-UHFFFAOYSA-N	-1	0	297.307	0.874	20	30		CCEDRM
N#CCCNC(=O)C(=O)Nc1ccccc1CC(=O)[O-]	ZINC001605585406	973875647	/nfs/dbraw/zinc/87/56/47/973875647.db2.gz	BBZGAKIYPQBPTG-UHFFFAOYSA-N	-1	0	275.264	0.282	20	30		CCEDRM
N#Cc1c(NCCCCC(=O)[O-])cccc1S(N)(=O)=O	ZINC001605590422	973883002	/nfs/dbraw/zinc/88/30/02/973883002.db2.gz	DSBKLCHYOXCNBP-UHFFFAOYSA-N	-1	0	297.336	0.872	20	30		CCEDRM
N#Cc1ccc(NC(=O)C(=O)NCCCC(=O)[O-])cc1F	ZINC001605612406	973925392	/nfs/dbraw/zinc/92/53/92/973925392.db2.gz	KNFHRVWLIQIZOC-UHFFFAOYSA-N	-1	0	293.254	0.617	20	30		CCEDRM
N#Cc1cnc(COC(=O)c2ccc(C(=O)[O-])nc2)nc1	ZINC001605622818	973944080	/nfs/dbraw/zinc/94/40/80/973944080.db2.gz	CGYJRABOQJGBPB-UHFFFAOYSA-N	-1	0	284.231	0.798	20	30		CCEDRM
CCc1nnc(COC(=O)[C@](C)(C#N)CC(=O)[O-])[nH]1	ZINC001603984141	974488583	/nfs/dbraw/zinc/48/85/83/974488583.db2.gz	ZIIFLWSVEWNWIX-NSHDSACASA-N	-1	0	266.257	0.415	20	30		CCEDRM
C[C@H](CC#N)OC(=O)CN1CCC[C@@H](C(=O)[O-])C1=O	ZINC001592225683	977411457	/nfs/dbraw/zinc/41/14/57/977411457.db2.gz	JHGBPIYGHVSOQJ-RKDXNWHRSA-N	-1	0	268.269	0.155	20	30		CCEDRM
C[C@](CCF)(NC(=O)c1cc(C#N)c[nH]1)C(=O)[O-]	ZINC001592497862	978303729	/nfs/dbraw/zinc/30/37/29/978303729.db2.gz	KGIUMOSQFJMNPZ-LLVKDONJSA-N	-1	0	253.233	0.819	20	30		CCEDRM
CC[C@](COC)(NC(=O)Cc1ccc(C#N)nc1)C(=O)[O-]	ZINC001595187776	979849378	/nfs/dbraw/zinc/84/93/78/979849378.db2.gz	CNYBYNAWVJSGJY-CQSZACIVSA-N	-1	0	291.307	0.492	20	30		CCEDRM
CC[C@@](COC)(NC(=O)c1coc(C#N)c1)C(=O)[O-]	ZINC001595194590	979902499	/nfs/dbraw/zinc/90/24/99/979902499.db2.gz	PKOZXJHUFHIAEY-LBPRGKRZSA-N	-1	0	266.253	0.761	20	30		CCEDRM
CC[C@H](O)CNN=Cc1c(C)nn(CCC(=O)[O-])c1C	ZINC001595330787	980568295	/nfs/dbraw/zinc/56/82/95/980568295.db2.gz	YPTWZXWANGXNQB-NSHDSACASA-N	-1	0	282.344	0.669	20	30		CCEDRM
CC[C@](C)(C#N)C(=O)Nc1ccn(CC(=O)[O-])n1	ZINC001594778498	981777822	/nfs/dbraw/zinc/77/78/22/981777822.db2.gz	SYEYFWBDNZVWNF-LLVKDONJSA-N	-1	0	250.258	0.846	20	30		CCEDRM
CC[C@](C)(C#N)C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)[O-]	ZINC001594778608	981779803	/nfs/dbraw/zinc/77/98/03/981779803.db2.gz	WTDVXHKOEZRKSR-YVZVNANGSA-N	-1	0	269.301	0.020	20	30		CCEDRM
CC[C@H](C)[C@@H](NC(=O)[C@@H](C)n1cnc(C#N)n1)C(=O)[O-]	ZINC001594883927	982257809	/nfs/dbraw/zinc/25/78/09/982257809.db2.gz	DAYAPWFWICYUQR-QXFUBDJGSA-N	-1	0	279.300	0.326	20	30		CCEDRM
CCCCCCCn1nnnc1N1CCO[C@@H](C(=O)[O-])C1	ZINC001595709003	982288722	/nfs/dbraw/zinc/28/87/22/982288722.db2.gz	QDJFFRHWFDDPGG-LLVKDONJSA-N	-1	0	297.359	0.933	20	30		CCEDRM
CCCCCNC(=O)Cn1cc(C(=O)[O-])cc(C#N)c1=O	ZINC001595722451	982341584	/nfs/dbraw/zinc/34/15/84/982341584.db2.gz	ZHQOXLPPBDATPV-UHFFFAOYSA-N	-1	0	291.307	0.725	20	30		CCEDRM
CC[C@H](C)[C@H](NC(=O)COC(=O)CC1(C#N)CC1)C(=O)[O-]	ZINC001594898382	982347639	/nfs/dbraw/zinc/34/76/39/982347639.db2.gz	VSDGILGOWYEPQJ-CABZTGNLSA-N	-1	0	296.323	0.839	20	30		CCEDRM
CCCN([C@@H](C)C(=O)[O-])S(=O)(=O)c1cccnc1C#N	ZINC001573751607	983101354	/nfs/dbraw/zinc/10/13/54/983101354.db2.gz	YJKQMTIDSBWHIQ-VIFPVBQESA-N	-1	0	297.336	0.827	20	30		CCEDRM
N#Cc1c[nH]c(C(=O)N[C@@H](C[C@H]2CCCO2)C(=O)[O-])c1	ZINC001574242010	983200892	/nfs/dbraw/zinc/20/08/92/983200892.db2.gz	UBHLJNZCTAVSCJ-KOLCDFICSA-N	-1	0	277.280	0.638	20	30		CCEDRM
N#Cc1ccccc1C(F)(F)C(=O)NCC(=O)[O-]	ZINC001574797183	983276894	/nfs/dbraw/zinc/27/68/94/983276894.db2.gz	XCRAROBTNBMEDT-UHFFFAOYSA-N	-1	0	254.192	0.851	20	30		CCEDRM
C#C[C@@H](C)N(C)S(=O)(=O)C1CCC(C(=O)[O-])CC1	ZINC001588368863	983308997	/nfs/dbraw/zinc/30/89/97/983308997.db2.gz	UWBMRSHPCLMYSH-KPPDAEKUSA-N	-1	0	273.354	0.913	20	30		CCEDRM
C#C[C@H](NC(=O)NCCSCC(=O)[O-])[C@@H]1CCCO1	ZINC001588372088	983327944	/nfs/dbraw/zinc/32/79/44/983327944.db2.gz	CVSAGPUPBYYIBC-UWVGGRQHSA-N	-1	0	286.353	0.284	20	30		CCEDRM
C#C[C@@H](NC(=O)NCC(C)(C)C(=O)[O-])[C@H]1CCCO1	ZINC001588372368	983330730	/nfs/dbraw/zinc/33/07/30/983330730.db2.gz	JDGQMJRRUZREHD-NXEZZACHSA-N	-1	0	268.313	0.577	20	30		CCEDRM
C#C[C@H](NC(=O)CCc1ocnc1C(=O)[O-])[C@@H]1CCCO1	ZINC001588372984	983335445	/nfs/dbraw/zinc/33/54/45/983335445.db2.gz	WZOFSKCRCDITOB-UWVGGRQHSA-N	-1	0	292.291	0.602	20	30		CCEDRM
C#C[C@@H](NC(=O)c1c[nH]c(C(=O)[O-])c1)[C@H]1CCCO1	ZINC001588374362	983343422	/nfs/dbraw/zinc/34/34/22/983343422.db2.gz	VRCOUKUPEYKBOA-MWLCHTKSSA-N	-1	0	262.265	0.624	20	30		CCEDRM
C#CC1(O)CCN(C(=O)Nc2cc(C(=O)[O-])n(C)c2)CC1	ZINC001588379288	983363418	/nfs/dbraw/zinc/36/34/18/983363418.db2.gz	BPMMKKHCKCKZQY-UHFFFAOYSA-N	-1	0	291.307	0.715	20	30		CCEDRM
C#CC1(O)CCN(C(=O)Nc2cc(C(=O)[O-])ccn2)CC1	ZINC001588379583	983364660	/nfs/dbraw/zinc/36/46/60/983364660.db2.gz	MQWJDUHLUUNKMM-UHFFFAOYSA-N	-1	0	289.291	0.772	20	30		CCEDRM
C#C[C@@H]1COCCN1Cc1ccc(OCC(=O)[O-])cc1	ZINC001588383888	983385383	/nfs/dbraw/zinc/38/53/83/983385383.db2.gz	NZTUZIKZMDXTSG-CYBMUJFWSA-N	-1	0	275.304	0.984	20	30		CCEDRM
C#C[C@H]1COCCN1C(=O)c1ccc(C(=O)[O-])cc1	ZINC001588383973	983385689	/nfs/dbraw/zinc/38/56/89/983385689.db2.gz	QXCKGMFJRAMTGP-LBPRGKRZSA-N	-1	0	259.261	0.859	20	30		CCEDRM
C#C[C@H]1COCCN1C(=O)/C=C/c1cc(C(=O)[O-])co1	ZINC001588384028	983386465	/nfs/dbraw/zinc/38/64/65/983386465.db2.gz	SNLSSZHIUHWRST-UFFNRZRYSA-N	-1	0	275.260	0.852	20	30		CCEDRM
C#CC[C@@H](CO)NC(=O)Nc1ccc(C(=O)[O-])c(OC)c1	ZINC001588393826	983400397	/nfs/dbraw/zinc/40/03/97/983400397.db2.gz	KNFZMMFAFOMWNF-JTQLQIEISA-N	-1	0	292.291	0.899	20	30		CCEDRM
C#CC[C@@H](CCOC)NC(=O)Cc1ccc(C(=O)[O-])nc1	ZINC001588395227	983404783	/nfs/dbraw/zinc/40/47/83/983404783.db2.gz	REELNOBLVFSKLG-LBPRGKRZSA-N	-1	0	290.319	0.867	20	30		CCEDRM
C#CC[C@@H](CO)NC(=O)Nc1cccc(OCC(=O)[O-])c1	ZINC001588395324	983405303	/nfs/dbraw/zinc/40/53/03/983405303.db2.gz	SJKVRFPAHUMEPP-NSHDSACASA-N	-1	0	292.291	0.656	20	30		CCEDRM
C#CC[C@@H](NC(=O)CN1C(=O)Cc2ccccc21)C(=O)[O-]	ZINC001588405023	983419953	/nfs/dbraw/zinc/41/99/53/983419953.db2.gz	JPKPDZRQXPKQBI-LLVKDONJSA-N	-1	0	286.287	0.168	20	30		CCEDRM
C#CC[C@@H](NC(=O)/C=C\c1ccncc1C)C(=O)[O-]	ZINC001588405969	983423289	/nfs/dbraw/zinc/42/32/89/983423289.db2.gz	KWQHHWGOWQKLNL-FOQNGQEVSA-N	-1	0	258.277	0.996	20	30		CCEDRM
C#CC[C@@H](NC(=O)CCCNC(=O)OCC)C(=O)[O-]	ZINC001588406011	983423813	/nfs/dbraw/zinc/42/38/13/983423813.db2.gz	LGXGJTJFOIESQL-SECBINFHSA-N	-1	0	270.285	0.105	20	30		CCEDRM
C#CC[C@@H](NC(=O)[C@H]1CCCN(C(=O)OCC)C1)C(=O)[O-]	ZINC001588406925	983426789	/nfs/dbraw/zinc/42/67/89/983426789.db2.gz	TVIFSZIRJBKDOA-WDEREUQCSA-N	-1	0	296.323	0.448	20	30		CCEDRM
C#CC[C@H](NC(=O)c1c(CC)ncnc1CC)C(=O)[O-]	ZINC001588413643	983431839	/nfs/dbraw/zinc/43/18/39/983431839.db2.gz	DUDNYUZPXCCNMG-NSHDSACASA-N	-1	0	275.308	0.808	20	30		CCEDRM
C#CC[C@H](NC(=O)c1cc(Cn2cccn2)on1)C(=O)[O-]	ZINC001588414215	983433263	/nfs/dbraw/zinc/43/32/63/983433263.db2.gz	PJLQFWUUVBZEFW-JTQLQIEISA-N	-1	0	288.263	0.126	20	30		CCEDRM
C#CC[C@@H](NC(=O)c1ccnc2ccncc21)C(=O)[O-]	ZINC001588415663	983435650	/nfs/dbraw/zinc/43/56/50/983435650.db2.gz	DAZOHPRKQKUOMM-GFCCVEGCSA-N	-1	0	269.260	0.836	20	30		CCEDRM
C#CC[C@H](NC[C@@H]1[C@H](C(=O)[O-])C1(F)F)C(=O)OC	ZINC001588422838	983448911	/nfs/dbraw/zinc/44/89/11/983448911.db2.gz	PWUAXEGPAUCGQQ-GJMOJQLCSA-N	-1	0	261.224	0.107	20	30		CCEDRM
C#CC[C@@H]1CCCN(S(=O)(=O)C[C@H](C)C(=O)[O-])C1	ZINC001588434666	983471616	/nfs/dbraw/zinc/47/16/16/983471616.db2.gz	PWVQXUYWROMZOA-WDEREUQCSA-N	-1	0	273.354	0.772	20	30		CCEDRM
C#CCCNS(=O)(=O)c1cnc(C)c(C(=O)[O-])c1	ZINC001588453621	983476501	/nfs/dbraw/zinc/47/65/01/983476501.db2.gz	IBOYIOVQSBCNIO-UHFFFAOYSA-N	-1	0	268.294	0.390	20	30		CCEDRM
C#CCN(C(=O)[C@@H]1C[C@@H]1C(=O)[O-])C1CCN(C(C)=O)CC1	ZINC001588460044	983486831	/nfs/dbraw/zinc/48/68/31/983486831.db2.gz	QINWGFQUOXYFRJ-OLZOCXBDSA-N	-1	0	292.335	0.180	20	30		CCEDRM
C#CCN(CC#C)C(=O)C(=O)Nc1ccccc1C(=O)[O-]	ZINC001588464748	983494225	/nfs/dbraw/zinc/49/42/25/983494225.db2.gz	IFSLIGMMPAUOMA-UHFFFAOYSA-N	-1	0	284.271	0.418	20	30		CCEDRM
C#CCN(C/C(C)=C\C(=O)[O-])[C@@H]1CCS(=O)(=O)C1	ZINC001588468566	983501274	/nfs/dbraw/zinc/50/12/74/983501274.db2.gz	ZDQUCPMFIISRSV-ZJRUKIMVSA-N	-1	0	271.338	0.140	20	30		CCEDRM
C#CCOCCC(=O)N[C@](C)(CC(=O)[O-])c1cccnc1	ZINC001588489561	983528099	/nfs/dbraw/zinc/52/80/99/983528099.db2.gz	DJBUPVPDGGEFRM-OAHLLOKOSA-N	-1	0	290.319	0.928	20	30		CCEDRM
C#CCOCCCOC(=O)C12CC(C(=O)[O-])(C1)C2	ZINC001588489731	983528977	/nfs/dbraw/zinc/52/89/77/983528977.db2.gz	KZNDHFUCJXXSIN-UHFFFAOYSA-N	-1	0	252.266	0.824	20	30		CCEDRM
C#CCOCCN(C)C(=O)Cc1ccc(C(=O)[O-])nc1	ZINC001588489881	983529457	/nfs/dbraw/zinc/52/94/57/983529457.db2.gz	OFQXAWZIWOQYMO-UHFFFAOYSA-N	-1	0	276.292	0.431	20	30		CCEDRM
C#CCOCCC(=O)N[C@](CC)(COC)C(=O)[O-]	ZINC001588489885	983529671	/nfs/dbraw/zinc/52/96/71/983529671.db2.gz	OJCUDDRIQKEAOO-GFCCVEGCSA-N	-1	0	257.286	0.022	20	30		CCEDRM
C#CCOCCCOC(=O)c1ccc(C(=O)[O-])n1C	ZINC001588490028	983530443	/nfs/dbraw/zinc/53/04/43/983530443.db2.gz	QJAAQLDDESXYOL-UHFFFAOYSA-N	-1	0	265.265	0.920	20	30		CCEDRM
C#CCO[C@@H](C)C(=O)OCC(=O)c1cc(C(=O)[O-])[nH]c1C	ZINC001588490832	983534589	/nfs/dbraw/zinc/53/45/89/983534589.db2.gz	ZLWCYUULMBIVEB-VIFPVBQESA-N	-1	0	293.275	0.786	20	30		CCEDRM
C#CCOCCNC(=O)CCCn1ccc(C(=O)[O-])n1	ZINC001588491317	983535912	/nfs/dbraw/zinc/53/59/12/983535912.db2.gz	JKSVULKHLUJOEJ-UHFFFAOYSA-N	-1	0	279.296	0.128	20	30		CCEDRM
C#CCOCCNC(=O)NCc1ccc(CC(=O)[O-])cc1	ZINC001588491844	983537899	/nfs/dbraw/zinc/53/78/99/983537899.db2.gz	YAZZMQZMNNRBCF-UHFFFAOYSA-N	-1	0	290.319	0.763	20	30		CCEDRM
C#CCOc1ccc(C(=O)O[C@@H](COC)C(=O)[O-])cc1	ZINC001588497644	983540012	/nfs/dbraw/zinc/54/00/12/983540012.db2.gz	SKUKWQXOQAQFCC-LBPRGKRZSA-N	-1	0	278.260	0.955	20	30		CCEDRM
C#CCSCC(=O)N[C@H]1C[C@H]2C[C@@H](C(=O)[O-])C[C@H]21	ZINC001588505969	983550158	/nfs/dbraw/zinc/55/01/58/983550158.db2.gz	CBQLHTQJKAEPDK-DBIOUOCHSA-N	-1	0	267.350	0.968	20	30		CCEDRM
C#Cc1ccc(C(=O)N2CCC[C@H](O)[C@H]2C(=O)[O-])nc1	ZINC001588510398	983555479	/nfs/dbraw/zinc/55/54/79/983555479.db2.gz	CAICSFMIUGVBDZ-RYUDHWBXSA-N	-1	0	274.276	0.113	20	30		CCEDRM
C#Cc1ccc(C(=O)N[C@H](Cc2ccncc2)C(=O)[O-])cn1	ZINC001588510844	983557336	/nfs/dbraw/zinc/55/73/36/983557336.db2.gz	MBYFWVUYDUSHGH-CQSZACIVSA-N	-1	0	295.298	0.884	20	30		CCEDRM
C#Cc1ccc(S(=O)(=O)N[C@H](CC)C(=O)[O-])cc1	ZINC001588518310	983569473	/nfs/dbraw/zinc/56/94/73/983569473.db2.gz	ZZGUNPRQLKDLTG-LLVKDONJSA-N	-1	0	267.306	0.809	20	30		CCEDRM
C=C(C)C[C@H](NC(=O)C[C@H]1CCC(=O)N1)C(=O)[O-]	ZINC001588540371	983603630	/nfs/dbraw/zinc/60/36/30/983603630.db2.gz	DUTYPSKQMZSKSY-BDAKNGLRSA-N	-1	0	254.286	0.191	20	30		CCEDRM
C=C(C)C[C@@H](NC(=O)C[C@@H]1CCCS1(=O)=O)C(=O)[O-]	ZINC001588540438	983604055	/nfs/dbraw/zinc/60/40/55/983604055.db2.gz	GIHQEMHHSGEPOJ-VHSXEESVSA-N	-1	0	289.353	0.489	20	30		CCEDRM
C=C(C)C[C@@H](NC(=O)c1ccc[nH]c1=O)C(=O)[O-]	ZINC001588548746	983625117	/nfs/dbraw/zinc/62/51/17/983625117.db2.gz	SWTMTLXLTOIBES-SECBINFHSA-N	-1	0	250.254	0.936	20	30		CCEDRM
C=C(C)CN(CC)C(=O)CN1CCC[C@H](C(=O)[O-])C1=O	ZINC001588562855	983643805	/nfs/dbraw/zinc/64/38/05/983643805.db2.gz	JQHWGLRZRNKHQN-NSHDSACASA-N	-1	0	282.340	0.734	20	30		CCEDRM
C=C(C)COCCNC(=O)COCc1ocnc1C(=O)[O-]	ZINC001588570254	983650775	/nfs/dbraw/zinc/65/07/75/983650775.db2.gz	VIDUTJFPUUFETQ-UHFFFAOYSA-N	-1	0	298.295	0.598	20	30		CCEDRM
C=C(CCC(=O)[O-])C(=O)N(C)CCS(=O)(=O)CC	ZINC001588607109	983699900	/nfs/dbraw/zinc/69/99/00/983699900.db2.gz	TUCZKYUPPYJTJD-UHFFFAOYSA-N	-1	0	277.342	0.301	20	30		CCEDRM
C=C(CC)Cn1nnnc1N1CC[C@](C)(C(=O)[O-])C1	ZINC001588607118	983700211	/nfs/dbraw/zinc/70/02/11/983700211.db2.gz	TWVVNQFZGPTAIT-LBPRGKRZSA-N	-1	0	265.317	0.940	20	30		CCEDRM
C=C(CCC(=O)[O-])C(=O)N1CC[C@H](Nc2ncccn2)C1	ZINC001588613948	983705886	/nfs/dbraw/zinc/70/58/86/983705886.db2.gz	HQXRKBNVVVRNNP-NSHDSACASA-N	-1	0	290.323	0.910	20	30		CCEDRM
C=C(CCC(=O)[O-])C(=O)N1CCC[C@@H](CCC(N)=O)C1	ZINC001588614427	983707632	/nfs/dbraw/zinc/70/76/32/983707632.db2.gz	VAIDIUATKBDANM-NSHDSACASA-N	-1	0	282.340	0.912	20	30		CCEDRM
C=C(CCC(=O)[O-])C(=O)N1CCC2(CNC(=O)C2)CC1	ZINC001588614644	983708228	/nfs/dbraw/zinc/70/82/28/983708228.db2.gz	YVROZSIVXAIBFI-UHFFFAOYSA-N	-1	0	280.324	0.536	20	30		CCEDRM
C=C(CCC(=O)[O-])C(=O)N1CCCNC(=O)[C@H]1CC	ZINC001588614980	983709434	/nfs/dbraw/zinc/70/94/34/983709434.db2.gz	GLEOCIVZCNAANW-SNVBAGLBSA-N	-1	0	268.313	0.535	20	30		CCEDRM
C=C(CCC(=O)[O-])C(=O)N1CCCN(C(=O)CC)CC1	ZINC001588615050	983709808	/nfs/dbraw/zinc/70/98/08/983709808.db2.gz	INYIBFIOKYEEBQ-UHFFFAOYSA-N	-1	0	282.340	0.878	20	30		CCEDRM
C=C(CCC(=O)[O-])C(=O)N[C@@H](C)/C=C\C(=O)OC	ZINC001588618932	983713735	/nfs/dbraw/zinc/71/37/35/983713735.db2.gz	FPNATLFJROCCAB-PGBBXKAQSA-N	-1	0	255.270	0.641	20	30		CCEDRM
C=C(CCC(=O)[O-])C(=O)N1CCSC[C@@H]1CCO	ZINC001588619019	983714187	/nfs/dbraw/zinc/71/41/87/983714187.db2.gz	IEEGUCGAINIZSE-JTQLQIEISA-N	-1	0	273.354	0.734	20	30		CCEDRM
C=C(CCC(=O)[O-])C(=O)N1CC[S@](=O)C[C@H](C)C1	ZINC001588619520	983716960	/nfs/dbraw/zinc/71/69/60/983716960.db2.gz	WOETZBZIUXMIJO-LZVRBXCZSA-N	-1	0	273.354	0.634	20	30		CCEDRM
C=C(CCC(=O)[O-])C(=O)N[C@@H](CO)c1cccnc1	ZINC001588621527	983719593	/nfs/dbraw/zinc/71/95/93/983719593.db2.gz	FWZQDLQBOGJWDM-NSHDSACASA-N	-1	0	264.281	0.652	20	30		CCEDRM
C=C(CCC(=O)[O-])C(=O)NC[C@H](C(=O)OC)[C@@H]1CCOC1	ZINC001588622955	983725835	/nfs/dbraw/zinc/72/58/35/983725835.db2.gz	HKGXYELECCWWAR-MNOVXSKESA-N	-1	0	299.323	0.349	20	30		CCEDRM
C=C(CCC(=O)[O-])C(=O)NCC(=O)OCCCC	ZINC001588623719	983728889	/nfs/dbraw/zinc/72/88/89/983728889.db2.gz	VHJZVSXBRFWGHK-UHFFFAOYSA-N	-1	0	257.286	0.867	20	30		CCEDRM
C=C(CCC(=O)[O-])C(=O)NC[C@H](C(C)C)N1CCOCC1	ZINC001588623799	983730030	/nfs/dbraw/zinc/73/00/30/983730030.db2.gz	XWOKLCPQECCFTH-CYBMUJFWSA-N	-1	0	298.383	0.880	20	30		CCEDRM
C=C(CCC(=O)OC)C(=O)NC1CC(CC(=O)[O-])C1	ZINC001588633544	983750097	/nfs/dbraw/zinc/75/00/97/983750097.db2.gz	OALYYAARVAXVTM-UHFFFAOYSA-N	-1	0	269.297	0.865	20	30		CCEDRM
C=C(Cl)C[C@H](NC(=O)[C@@H]1C[C@@H]1C(=O)[O-])C(=O)OCC	ZINC001588642544	983764697	/nfs/dbraw/zinc/76/46/97/983764697.db2.gz	VTMMYATUDPIOLD-VGMNWLOBSA-N	-1	0	289.715	0.898	20	30		CCEDRM
C=C[C@@H](C(=O)[O-])N1CCN(C(=O)N2CCCCC2)CC1	ZINC001588663074	983793004	/nfs/dbraw/zinc/79/30/04/983793004.db2.gz	JJEDJOLFWDJBMY-LBPRGKRZSA-N	-1	0	281.356	0.849	20	30		CCEDRM
C=C[C@@H](C(=O)[O-])N1CCN(c2ncccc2C#N)CC1	ZINC001588668828	983806513	/nfs/dbraw/zinc/80/65/13/983806513.db2.gz	AJRCQUGQGMGNSF-LBPRGKRZSA-N	-1	0	272.308	0.714	20	30		CCEDRM
C=CC(C)(C)CNS(=O)(=O)CC1(C(=O)[O-])CC1	ZINC001588680837	983836471	/nfs/dbraw/zinc/83/64/71/983836471.db2.gz	HRFSYPUOILRXLC-UHFFFAOYSA-N	-1	0	261.343	0.983	20	30		CCEDRM
C=C[C@@](C)(CC)C(=O)NCCC(=O)NCCC(=O)[O-]	ZINC001588682237	983843471	/nfs/dbraw/zinc/84/34/71/983843471.db2.gz	JVUCSUTXZLYAMB-ZDUSSCGKSA-N	-1	0	270.329	0.686	20	30		CCEDRM
C=C[C@@H](NCC(=O)Nc1cc(OC)cc(OC)c1)C(=O)[O-]	ZINC001588694969	983899750	/nfs/dbraw/zinc/89/97/50/983899750.db2.gz	GRWPOCMKEZNZFF-GFCCVEGCSA-N	-1	0	294.307	0.871	20	30		CCEDRM
C=C[C@H](NC(c1ccnn1C)c1ccnn1C)C(=O)[O-]	ZINC001588695399	983901092	/nfs/dbraw/zinc/90/10/92/983901092.db2.gz	JRGKXBXHRPFYCM-VIFPVBQESA-N	-1	0	275.312	0.472	20	30		CCEDRM
C=C[C@H](O)C(=O)NCc1ccc(C(=O)[O-])cc1F	ZINC001588705156	983925923	/nfs/dbraw/zinc/92/59/23/983925923.db2.gz	KMHNOEMWFHBVOP-JTQLQIEISA-N	-1	0	253.229	0.687	20	30		CCEDRM
C=C[C@@H](OC(=O)[C@@H](CC(C)C)NC(C)=O)C(=O)[O-]	ZINC001588711160	983936282	/nfs/dbraw/zinc/93/62/82/983936282.db2.gz	MATSSWVFAHOZNU-NXEZZACHSA-N	-1	0	257.286	0.720	20	30		CCEDRM
C=C[C@H](OC(=O)[C@H]1CC(=O)N(C2CC2)C1)C(=O)[O-]	ZINC001588712868	983946356	/nfs/dbraw/zinc/94/63/56/983946356.db2.gz	ZJVDYXVZNUQIRY-CBAPKCEASA-N	-1	0	253.254	0.180	20	30		CCEDRM
CCN1C[C@@H](CNc2ccc(C(=O)[O-])nc2C#N)CC1=O	ZINC001596397890	983949320	/nfs/dbraw/zinc/94/93/20/983949320.db2.gz	PCUYCKWRJCSRNZ-SECBINFHSA-N	-1	0	288.307	0.932	20	30		CCEDRM
C=CC1(OC(=O)Cn2cccc(C(=O)[O-])c2=O)CC1	ZINC001588718388	983956440	/nfs/dbraw/zinc/95/64/40/983956440.db2.gz	AHYOMIQTXLBWOS-UHFFFAOYSA-N	-1	0	263.249	0.808	20	30		CCEDRM
C=CC[C@H](C(=O)[O-])N1CCN(S(=O)(=O)C2CC2)CC1	ZINC001588729632	983992136	/nfs/dbraw/zinc/99/21/36/983992136.db2.gz	MBDQQBNHJCNOEO-LLVKDONJSA-N	-1	0	288.369	0.126	20	30		CCEDRM
C=CC[C@@H](C)NC(=O)COCc1ocnc1C(=O)[O-]	ZINC001588736701	984026836	/nfs/dbraw/zinc/02/68/36/984026836.db2.gz	RRALEILICSPEAV-MRVPVSSYSA-N	-1	0	268.269	0.970	20	30		CCEDRM
C=CC[C@H](CO)NC(=O)C(=O)Nc1cc(C(=O)[O-])cs1	ZINC001588745449	984051910	/nfs/dbraw/zinc/05/19/10/984051910.db2.gz	ZQPCBYCSLGRXKK-MRVPVSSYSA-N	-1	0	298.320	0.438	20	30		CCEDRM
C=CC[C@@H](OC(=O)[C@@H](OC)c1cnn(C)c1)C(=O)[O-]	ZINC001588751321	984075777	/nfs/dbraw/zinc/07/57/77/984075777.db2.gz	LJULFRVAVBFEEH-ZJUUUORDSA-N	-1	0	268.269	0.680	20	30		CCEDRM
C=CC[C@@H](OC(=O)[C@H](OC)c1cnn(C)c1)C(=O)[O-]	ZINC001588751318	984075953	/nfs/dbraw/zinc/07/59/53/984075953.db2.gz	LJULFRVAVBFEEH-NXEZZACHSA-N	-1	0	268.269	0.680	20	30		CCEDRM
C=CC[C@H](OC(=O)CN(C)[C@H]1CCSC1)C(=O)[O-]	ZINC001588753238	984083527	/nfs/dbraw/zinc/08/35/27/984083527.db2.gz	CXAQTVDSSLMQKV-UWVGGRQHSA-N	-1	0	273.354	0.996	20	30		CCEDRM
C=CC[C@H](OC(=O)CC(=O)NCC(F)(F)F)C(=O)[O-]	ZINC001588753529	984086859	/nfs/dbraw/zinc/08/68/59/984086859.db2.gz	JAXZJDJCOKYFLF-LURJTMIESA-N	-1	0	283.202	0.628	20	30		CCEDRM
C=CC[C@@H](OC(=O)[C@@H]1CCc2nnn(C)c2C1)C(=O)[O-]	ZINC001588753696	984088028	/nfs/dbraw/zinc/08/80/28/984088028.db2.gz	LXDAKSAFYPAZOP-LDYMZIIASA-N	-1	0	279.296	0.493	20	30		CCEDRM
C=CC[C@H](OC(=O)Cc1cn(CC)nn1)C(=O)[O-]	ZINC001588753748	984088635	/nfs/dbraw/zinc/08/86/35/984088635.db2.gz	MRNUWILKIBYCKT-VIFPVBQESA-N	-1	0	253.258	0.413	20	30		CCEDRM
C=CC[C@H](OC(=O)[C@@H]1CCCN1C(=O)C1CC1)C(=O)[O-]	ZINC001588756248	984097325	/nfs/dbraw/zinc/09/73/25/984097325.db2.gz	JDPVGHWMHLEVDQ-QWRGUYRKSA-N	-1	0	281.308	0.960	20	30		CCEDRM
C=CC[C@H](OC(=O)[C@@H]1C[C@H]1C(=O)OCC)C(=O)[O-]	ZINC001588756601	984098381	/nfs/dbraw/zinc/09/83/81/984098381.db2.gz	MDOBLZTYISUWQM-HLTSFMKQSA-N	-1	0	256.254	0.758	20	30		CCEDRM
C=CCCC[C@H](NC(=O)C[C@@H]1CC(=O)N1)C(=O)[O-]	ZINC001588789446	984198294	/nfs/dbraw/zinc/19/82/94/984198294.db2.gz	BQFDJFCMKKRNMY-IUCAKERBSA-N	-1	0	254.286	0.191	20	30		CCEDRM
C=CCCC[C@@H](NC(=O)C1(NC(N)=O)CC1)C(=O)[O-]	ZINC001588789764	984200931	/nfs/dbraw/zinc/20/09/31/984200931.db2.gz	JHCIGWOXENKLSP-MRVPVSSYSA-N	-1	0	269.301	0.113	20	30		CCEDRM
C=CCCC[C@H](NC(=O)[C@H]1CSCN1)C(=O)[O-]	ZINC001588794327	984226393	/nfs/dbraw/zinc/22/63/93/984226393.db2.gz	RBYUSQMAIDRQKU-DTWKUNHWSA-N	-1	0	258.343	0.575	20	30		CCEDRM
C=CCCC[C@H](NC(=O)[C@@H](NC(N)=O)C(C)C)C(=O)[O-]	ZINC001588794565	984228309	/nfs/dbraw/zinc/22/83/09/984228309.db2.gz	YRJCDQVYEHRKCP-UWVGGRQHSA-N	-1	0	285.344	0.605	20	30		CCEDRM
C=CCCC[C@@H](NC(=O)c1nccnc1N)C(=O)[O-]	ZINC001588797276	984228752	/nfs/dbraw/zinc/22/87/52/984228752.db2.gz	ASEAUUWKHWCDPW-MRVPVSSYSA-N	-1	0	264.285	0.598	20	30		CCEDRM
C=CCCC[C@@H](NS(=O)(=O)Cc1ccon1)C(=O)[O-]	ZINC001588797911	984231798	/nfs/dbraw/zinc/23/17/98/984231798.db2.gz	NNDVFWCNJJVKLI-SNVBAGLBSA-N	-1	0	288.325	0.904	20	30		CCEDRM
C=CCCCCNC(=O)C(=O)NC[C@H]1CCO[C@H]1C(=O)[O-]	ZINC001588802458	984249565	/nfs/dbraw/zinc/24/95/65/984249565.db2.gz	NCLXXMFVDODRAH-GHMZBOCLSA-N	-1	0	298.339	0.065	20	30		CCEDRM
C=CCCO[C@H](C)C(=O)N1CCc2[nH]nc(C(=O)[O-])c2C1	ZINC001588808506	984262534	/nfs/dbraw/zinc/26/25/34/984262534.db2.gz	DQDBRTPKTNZXCO-SECBINFHSA-N	-1	0	293.323	0.974	20	30		CCEDRM
C=CCCS(=O)(=O)N1CCc2[nH]nc(C(=O)[O-])c2C1	ZINC001588813181	984269080	/nfs/dbraw/zinc/26/90/80/984269080.db2.gz	KBJXXORZSBIKFZ-UHFFFAOYSA-N	-1	0	285.325	0.372	20	30		CCEDRM
C=CCN(C(=O)C(=O)Nc1c(C(=O)[O-])cnn1C)C1CC1	ZINC001588819896	984280116	/nfs/dbraw/zinc/28/01/16/984280116.db2.gz	GXYGRMMFFOQXSU-UHFFFAOYSA-N	-1	0	292.295	0.234	20	30		CCEDRM
C=CCN1C(=O)C(=O)N(Cc2cc(C)c(C(=O)[O-])o2)C1=O	ZINC001588832530	984323595	/nfs/dbraw/zinc/32/35/95/984323595.db2.gz	QXYWEYQJKHFTKV-UHFFFAOYSA-N	-1	0	292.247	0.763	20	30		CCEDRM
C=CCN1CC[C@H](OC(=O)C(C)(C)CC(=O)[O-])C1=O	ZINC001588839191	984345231	/nfs/dbraw/zinc/34/52/31/984345231.db2.gz	OOWHUFXDYTYMDF-VIFPVBQESA-N	-1	0	269.297	0.817	20	30		CCEDRM
C=CCNC(=O)CN[C@H](C(=O)[O-])c1ccc2c(c1)CCO2	ZINC001588844527	984358632	/nfs/dbraw/zinc/35/86/32/984358632.db2.gz	KQNBAMUQSLUMSS-AWEZNQCLSA-N	-1	0	290.319	0.639	20	30		CCEDRM
C=CCNC(=O)CNCc1ccc(C(=O)[O-])cc1F	ZINC001588844510	984358872	/nfs/dbraw/zinc/35/88/72/984358872.db2.gz	JVIKRRLHSQZVRB-UHFFFAOYSA-N	-1	0	266.272	0.916	20	30		CCEDRM
C=CCOCC(=O)Nc1c(C(=O)[O-])c(C)nn1C	ZINC001588850745	984379902	/nfs/dbraw/zinc/37/99/02/984379902.db2.gz	CBDUAAMJUUOYJB-UHFFFAOYSA-N	-1	0	253.258	0.568	20	30		CCEDRM
C=CCOC[C@@H](NC(=O)CCC1(O)CCC1)C(=O)[O-]	ZINC001588853785	984386146	/nfs/dbraw/zinc/38/61/46/984386146.db2.gz	ICUSZOMNPFZILH-SNVBAGLBSA-N	-1	0	271.313	0.454	20	30		CCEDRM
C=CCOC[C@H](NC(=O)CCCCC#N)C(=O)[O-]	ZINC001588854236	984389352	/nfs/dbraw/zinc/38/93/52/984389352.db2.gz	SHWNVWXBIKICJY-JTQLQIEISA-N	-1	0	254.286	0.842	20	30		CCEDRM
C=CCOC[C@@H](NC(=O)[C@@H]1CCN(C(=O)CC)C1)C(=O)[O-]	ZINC001588855958	984395836	/nfs/dbraw/zinc/39/58/36/984395836.db2.gz	SPCHPGYKQLGWHU-GHMZBOCLSA-N	-1	0	298.339	0.017	20	30		CCEDRM
C=CCOC[C@@H](NC(=O)c1cnn(C(C)C)c1N)C(=O)[O-]	ZINC001588859968	984409723	/nfs/dbraw/zinc/40/97/23/984409723.db2.gz	DCNSNBOLCHUQIK-SNVBAGLBSA-N	-1	0	296.327	0.432	20	30		CCEDRM
C=CCOCCCN1C(=O)[C@@H]2C[C@@H](C(=O)[O-])CCN2C1=O	ZINC001588867081	984429785	/nfs/dbraw/zinc/42/97/85/984429785.db2.gz	WILCQUCSFBBVDX-QWRGUYRKSA-N	-1	0	296.323	0.707	20	30		CCEDRM
C=CCOC[C@H](NS(=O)(=O)C1CCCCC1)C(=O)[O-]	ZINC001588867149	984430415	/nfs/dbraw/zinc/43/04/15/984430415.db2.gz	UHHSBCCGCYJOJQ-NSHDSACASA-N	-1	0	291.369	0.894	20	30		CCEDRM
C=CCOC[C@H](NCc1nn(C)cc1C)C(=O)[O-]	ZINC001588867281	984431498	/nfs/dbraw/zinc/43/14/98/984431498.db2.gz	YXCQAMNNYSSKJC-NSHDSACASA-N	-1	0	253.302	0.474	20	30		CCEDRM
C=CCONC[C@H](O)COc1ccc(C(=O)[O-])cc1	ZINC001588868361	984432183	/nfs/dbraw/zinc/43/21/83/984432183.db2.gz	AQHWGHXJOKLFGU-NSHDSACASA-N	-1	0	267.281	0.832	20	30		CCEDRM
C=CCONC(=O)CCCn1ccc(C(=O)[O-])n1	ZINC001588868493	984433304	/nfs/dbraw/zinc/43/33/04/984433304.db2.gz	HXBFIUFQVOQRRM-UHFFFAOYSA-N	-1	0	253.258	0.595	20	30		CCEDRM
C=CCOCCn1nnnc1N1CC[C@](C)(C(=O)[O-])C1	ZINC001588868717	984434671	/nfs/dbraw/zinc/43/46/71/984434671.db2.gz	SSBUIVCOPKYGAJ-LBPRGKRZSA-N	-1	0	281.316	0.177	20	30		CCEDRM
C=CCOCCN1C(=O)[C@H]2CC[C@H](C(=O)[O-])CN2C1=O	ZINC001588869103	984438185	/nfs/dbraw/zinc/43/81/85/984438185.db2.gz	RPGOBCYHAYZHTP-VHSXEESVSA-N	-1	0	282.296	0.316	20	30		CCEDRM
C=CCn1cc(C(=O)Nc2c[nH]nc2C(=O)[O-])nn1	ZINC001588909997	984546443	/nfs/dbraw/zinc/54/64/43/984546443.db2.gz	GAMRJGHMVQNXDT-UHFFFAOYSA-N	-1	0	262.229	0.138	20	30		CCEDRM
C=CCn1nnnc1N1CCC[C@H](CCC(=O)[O-])C1	ZINC001588913089	984554617	/nfs/dbraw/zinc/55/46/17/984554617.db2.gz	XMKPMTIIVZWHIO-SNVBAGLBSA-N	-1	0	265.317	0.940	20	30		CCEDRM
C=C[C@@H]1OCC[C@H]1C(=O)N[C@@](C)(COC)CC(=O)[O-]	ZINC001588916726	984563014	/nfs/dbraw/zinc/56/30/14/984563014.db2.gz	AURFRVARKULEMK-GBIKHYSHSA-N	-1	0	271.313	0.574	20	30		CCEDRM
C=C[C@@H]1OCC[C@H]1C(=O)N1C[C@H]2[C@H](C(=O)[O-])[C@H]2C1	ZINC001588917090	984565235	/nfs/dbraw/zinc/56/52/35/984565235.db2.gz	OJGPUFXFBIIURY-UVOCVTCTSA-N	-1	0	251.282	0.367	20	30		CCEDRM
C=C[C@@H]1OCC[C@H]1C(=O)N1CCC([C@H](O)C(=O)[O-])CC1	ZINC001588917369	984567006	/nfs/dbraw/zinc/56/70/06/984567006.db2.gz	XUUUPRMBGVSJNC-WOPDTQHZSA-N	-1	0	283.324	0.262	20	30		CCEDRM
C=C[C@@H]1OCC[C@H]1CNS(=O)(=O)C[C@H](C)C(=O)[O-]	ZINC001588918012	984568779	/nfs/dbraw/zinc/56/87/79/984568779.db2.gz	POZVWDTWJMWJNW-GUBZILKMSA-N	-1	0	277.342	0.218	20	30		CCEDRM
C=C[C@@H]1OCC[C@H]1CNS(=O)(=O)C[C@@H](C)C(=O)[O-]	ZINC001588918013	984568783	/nfs/dbraw/zinc/56/87/83/984568783.db2.gz	POZVWDTWJMWJNW-UTLUCORTSA-N	-1	0	277.342	0.218	20	30		CCEDRM
CC#CCN1CCCN(C(=O)[C@@H]2C[C@H]2C(=O)[O-])CC1	ZINC001588930966	984600515	/nfs/dbraw/zinc/60/05/15/984600515.db2.gz	GUAPQZVJXFZPOE-VXGBXAGGSA-N	-1	0	264.325	0.265	20	30		CCEDRM
CC#CCN1CCCN(C(=O)[C@H]2C[C@@H]2C(=O)[O-])CC1	ZINC001588930965	984600552	/nfs/dbraw/zinc/60/05/52/984600552.db2.gz	GUAPQZVJXFZPOE-RYUDHWBXSA-N	-1	0	264.325	0.265	20	30		CCEDRM
CC#CCn1nnnc1N1C[C@@H](C(=O)[O-])[C@H](C2CC2)C1	ZINC001588931968	984604731	/nfs/dbraw/zinc/60/47/31/984604731.db2.gz	HQXRFKPNBFALNX-WDEREUQCSA-N	-1	0	275.312	0.243	20	30		CCEDRM
CCOC(=O)[C@@H]1C[C@H]1C(=O)N1CCC(C#N)(C(=O)[O-])CC1	ZINC001596682997	984771993	/nfs/dbraw/zinc/77/19/93/984771993.db2.gz	BLZNKVDLUHKDKW-NXEZZACHSA-N	-1	0	294.307	0.403	20	30		CCEDRM
CC(=NNS(=O)(=O)C(C)C)c1cncc(C(=O)[O-])c1	ZINC001589016971	984999407	/nfs/dbraw/zinc/99/94/07/984999407.db2.gz	QZWMLKOFGJBTGK-UHFFFAOYSA-N	-1	0	285.325	0.832	20	30		CCEDRM
C[C@H]1CN(C(=O)c2ccc(C#N)c(O)c2)C[C@@H](C(=O)[O-])O1	ZINC001599925820	985197495	/nfs/dbraw/zinc/19/74/95/985197495.db2.gz	UGCSRDSSUKGKRX-UFBFGSQYSA-N	-1	0	290.275	0.578	20	30		CCEDRM
CC(=O)N[C@H](C)C(=O)OCC#Cc1cccc(C(=O)[O-])c1	ZINC001589107537	985340826	/nfs/dbraw/zinc/34/08/26/985340826.db2.gz	MEWVMVUQGNBIOF-SNVBAGLBSA-N	-1	0	289.287	0.804	20	30		CCEDRM
Cc1[nH]c(C#N)cc1C(=O)NCc1nc(C(=O)[O-])co1	ZINC001599942508	985472631	/nfs/dbraw/zinc/47/26/31/985472631.db2.gz	NEWKVFJHDFNFCK-UHFFFAOYSA-N	-1	0	274.236	0.811	20	30		CCEDRM
CCO[C@@H]1C[C@@H]1C(=O)N1CCC(C#N)(C(=O)[O-])CC1	ZINC001596845984	985547388	/nfs/dbraw/zinc/54/73/88/985547388.db2.gz	GZZFMGVTDHYKIM-VHSXEESVSA-N	-1	0	266.297	0.628	20	30		CCEDRM
Cc1[nH]c(C(=O)[O-])cc1C(=O)COc1cnc(C#N)nc1	ZINC001599960417	985769913	/nfs/dbraw/zinc/76/99/13/985769913.db2.gz	KWIJQRUXAGIKCG-UHFFFAOYSA-N	-1	0	286.247	0.945	20	30		CCEDRM
C[C@@H](C#N)CN(C)S(=O)(=O)c1cccnc1C(=O)[O-]	ZINC001589330905	986180741	/nfs/dbraw/zinc/18/07/41/986180741.db2.gz	ULTGCHADORJQLC-QMMMGPOBSA-N	-1	0	283.309	0.560	20	30		CCEDRM
C[C@H](C#N)OC(=O)[C@H](CC(=O)[O-])NC(=O)OC(C)(C)C	ZINC001589331567	986187647	/nfs/dbraw/zinc/18/76/47/986187647.db2.gz	IOFMFUZTKWRIOK-SFYZADRCSA-N	-1	0	286.284	0.810	20	30		CCEDRM
C[C@H](C#N)N(C)S(=O)(=O)c1csc(C(=O)[O-])c1	ZINC001589332142	986197951	/nfs/dbraw/zinc/19/79/51/986197951.db2.gz	ZGTUYZSSOZXJCD-ZCFIWIBFSA-N	-1	0	274.323	0.979	20	30		CCEDRM
C[C@H](C(=O)N1CCC(C(=O)[O-])CC1)n1cnc(C#N)n1	ZINC001589353601	986329825	/nfs/dbraw/zinc/32/98/25/986329825.db2.gz	XVPBZNZYMSDMKZ-MRVPVSSYSA-N	-1	0	277.284	0.034	20	30		CCEDRM
C[C@H](C(=O)N1CCC[C@H]1CC(=O)[O-])n1cnc(C#N)n1	ZINC001589356375	986336881	/nfs/dbraw/zinc/33/68/81/986336881.db2.gz	KIKNHGDLCSYYTP-BDAKNGLRSA-N	-1	0	277.284	0.176	20	30		CCEDRM
C[C@H]1CN(c2ccc(C(=O)[O-])nc2C#N)CC[S@@](=O)C1	ZINC001594568757	986374751	/nfs/dbraw/zinc/37/47/51/986374751.db2.gz	MJYRCBAKFISMJA-GWNMQOMSSA-N	-1	0	293.348	0.856	20	30		CCEDRM
C[C@@H](C(=O)NC(=O)NC(C)(C)C)N(CC#N)CCC(=O)[O-]	ZINC001589372953	986419823	/nfs/dbraw/zinc/41/98/23/986419823.db2.gz	AAFOKTMRZBFZFJ-VIFPVBQESA-N	-1	0	298.343	0.299	20	30		CCEDRM
C[C@H](C(=O)Nc1ccc(C(=O)[O-])nc1)n1cnc(C#N)n1	ZINC001589431982	986737473	/nfs/dbraw/zinc/73/74/73/986737473.db2.gz	VHZRISAGYWHIFA-SSDOTTSWSA-N	-1	0	286.251	0.443	20	30		CCEDRM
CCC(C#N)(CC)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)[O-]	ZINC001594722031	987208150	/nfs/dbraw/zinc/20/81/50/987208150.db2.gz	HKTQTZACKLSITA-JTQLQIEISA-N	-1	0	278.312	0.852	20	30		CCEDRM
CC[C@H](C#N)C(=O)N[C@H](C[C@H]1CCCOC1)C(=O)[O-]	ZINC001594722342	987211889	/nfs/dbraw/zinc/21/18/89/987211889.db2.gz	NCQDMWQNINDYIB-GMTAPVOTSA-N	-1	0	268.313	0.922	20	30		CCEDRM
CC(C)(C#N)CC(=O)O[C@H]1CCN(CCC(=O)[O-])C1=O	ZINC001589554237	987299539	/nfs/dbraw/zinc/29/95/39/987299539.db2.gz	ZDUYJIWSJBAQOO-VIFPVBQESA-N	-1	0	282.296	0.545	20	30		CCEDRM
CC(C)(C(=O)[O-])C(=O)COC(=O)C1(C#N)CCOCC1	ZINC001589582815	987366423	/nfs/dbraw/zinc/36/64/23/987366423.db2.gz	RQFCAPSVDXPLCN-UHFFFAOYSA-N	-1	0	283.280	0.530	20	30		CCEDRM
CC(C)(C(=O)[O-])C(=O)COC(=O)c1ccc(C#N)nc1	ZINC001589584147	987377535	/nfs/dbraw/zinc/37/75/35/987377535.db2.gz	BQSNFBVJJVRDTP-UHFFFAOYSA-N	-1	0	276.248	0.790	20	30		CCEDRM
CCc1[nH]c(C(=O)N2CC(O)(CC#N)C2)c(C)c1C(=O)[O-]	ZINC001597357799	987510069	/nfs/dbraw/zinc/51/00/69/987510069.db2.gz	LLWMVIYVKUNXQU-UHFFFAOYSA-N	-1	0	291.307	0.684	20	30		CCEDRM
C[C@@H](O)[C@H](NC(=O)c1cccc(F)c1C#N)C(=O)[O-]	ZINC001599846043	988932920	/nfs/dbraw/zinc/93/29/20/988932920.db2.gz	QIRXBOPIMIDKDI-LDWIPMOCSA-N	-1	0	266.228	0.261	20	30		CCEDRM
C[C@@H]1CN(C(=O)NCc2ccc(C#N)cn2)C[C@H]1C(=O)[O-]	ZINC001599856004	989088703	/nfs/dbraw/zinc/08/87/03/989088703.db2.gz	FXVIHBOUCZZGOD-BXKDBHETSA-N	-1	0	288.307	0.815	20	30		CCEDRM
C[C@@H]1CN(C(=O)c2ccc(C#N)s2)C[C@@H](C(=O)[O-])O1	ZINC001599863186	989202949	/nfs/dbraw/zinc/20/29/49/989202949.db2.gz	WOBVIIHQXYOJOQ-APPZFPTMSA-N	-1	0	280.305	0.934	20	30		CCEDRM
CN(C(C)(C)C#N)S(=O)(=O)c1cncc(C(=O)[O-])c1	ZINC001598106073	990486629	/nfs/dbraw/zinc/48/66/29/990486629.db2.gz	DBUQOHKVSUMLGS-UHFFFAOYSA-N	-1	0	283.309	0.702	20	30		CCEDRM
CC(C)[C@H](NC(=O)C1CC2(C1)C[NH2+]C[C@@H]2C#N)C(=O)[O-]	ZINC001591001342	991254324	/nfs/dbraw/zinc/25/43/24/991254324.db2.gz	NJHXSWYKAMYKNP-JXJNQWLDSA-N	-1	0	279.340	0.351	20	30		CCEDRM
CN(CN1C[C@@H](C(=O)[O-])OC1=O)[C@@H]1CCC[C@H]1C#N	ZINC001598503364	992465950	/nfs/dbraw/zinc/46/59/50/992465950.db2.gz	HHULREUBRBFJLL-AEJSXWLSSA-N	-1	0	267.285	0.473	20	30		CCEDRM
C[C@H](N[C@H]1CCCN(O)C1=O)c1ncc(C(=O)[O-])s1	ZINC001593225106	994344813	/nfs/dbraw/zinc/34/48/13/994344813.db2.gz	SGHXVZDNKVELMC-BQBZGAKWSA-N	-1	0	285.325	0.872	20	30		CCEDRM
C[C@@H](Oc1ccccc1C=NNCCO)C(=O)[O-]	ZINC001593645990	995979199	/nfs/dbraw/zinc/97/91/99/995979199.db2.gz	USZCYSOKLYVOMS-SECBINFHSA-N	-1	0	252.270	0.454	20	30		CCEDRM
C[C@]1(C#N)CCN(CC(=O)Nc2cccc(C(=O)[O-])n2)C1	ZINC001593742966	996363727	/nfs/dbraw/zinc/36/37/27/996363727.db2.gz	JVYJZOSQFKTUJC-CQSZACIVSA-N	-1	0	288.307	0.954	20	30		CCEDRM
COC(=O)/C=C(\C)CN1CCC(C#N)(C(=O)[O-])CC1	ZINC001598829864	996424765	/nfs/dbraw/zinc/42/47/65/996424765.db2.gz	FSTVLZUTPJTNDB-JXMROGBWSA-N	-1	0	266.297	0.796	20	30		CCEDRM
COC(=O)CC[C@@H](NC(=O)C#CC(C)(C)C)C(=O)[O-]	ZINC001598856278	996640996	/nfs/dbraw/zinc/64/09/96/996640996.db2.gz	TYYQGKJAPRCSTA-SECBINFHSA-N	-1	0	269.297	0.559	20	30		CCEDRM
COC(=O)CN(CC#N)Cc1ccccc1C(=O)[O-]	ZINC001598861025	996674770	/nfs/dbraw/zinc/67/47/70/996674770.db2.gz	LZWVESNIXSFEON-UHFFFAOYSA-N	-1	0	262.265	0.883	20	30		CCEDRM
CO[C@@]1(C(=O)[O-])CCN(C(=O)c2cc(C#N)[nH]c2C)C1	ZINC001599075055	996844231	/nfs/dbraw/zinc/84/42/31/996844231.db2.gz	PTIPGUNUXDRTEP-ZDUSSCGKSA-N	-1	0	277.280	0.511	20	30		CCEDRM
CO[C@]1(C(=O)[O-])CCN(C(=O)c2ccnc(C#N)c2)C1	ZINC001599075665	996857345	/nfs/dbraw/zinc/85/73/45/996857345.db2.gz	MZBUVUWXUCYWPE-CYBMUJFWSA-N	-1	0	275.264	0.269	20	30		CCEDRM
CO[C@]1(C(=O)[O-])CCN(C(=O)c2sccc2C#N)C1	ZINC001599076297	996876543	/nfs/dbraw/zinc/87/65/43/996876543.db2.gz	LCLWPXMHKPLGRA-GFCCVEGCSA-N	-1	0	280.305	0.935	20	30		CCEDRM
COC[C@H](OC(=O)c1cc(C#N)oc1C)C(=O)[O-]	ZINC001599183171	996981059	/nfs/dbraw/zinc/98/10/59/996981059.db2.gz	JYGWJTOWLNMBCU-VIFPVBQESA-N	-1	0	253.210	0.716	20	30		CCEDRM
COC(=O)c1cc(C)cc(C(=O)N(CC#N)CC(=O)[O-])c1	ZINC001598929382	997715373	/nfs/dbraw/zinc/71/53/73/997715373.db2.gz	ZAIGPIDXCIHVJH-UHFFFAOYSA-N	-1	0	290.275	0.832	20	30		CCEDRM
COc1c(C(=O)[O-])ncnc1N(C)C[C@@H](C)C#N	ZINC001599330413	997739003	/nfs/dbraw/zinc/73/90/03/997739003.db2.gz	XCEXUBZYBKQTAW-ZETCQYMHSA-N	-1	0	250.258	0.779	20	30		CCEDRM
COCCCNC(=O)N1CCC(C#N)(C(=O)[O-])CC1	ZINC001599226558	997770477	/nfs/dbraw/zinc/77/04/77/997770477.db2.gz	BDDYKHGPASFGCE-UHFFFAOYSA-N	-1	0	269.301	0.423	20	30		CCEDRM
CC1(NC(=O)[C@@H]2C[C@@H]2C(=O)[O-])CCN(CC#N)CC1	ZINC001594053688	997775387	/nfs/dbraw/zinc/77/53/87/997775387.db2.gz	WFNJNYVGLVZDQK-ZJUUUORDSA-N	-1	0	265.313	0.201	20	30		CCEDRM
COCC#CC(=O)N(C)c1nc(CC(=O)[O-])cs1	ZINC001599138452	998084527	/nfs/dbraw/zinc/08/45/27/998084527.db2.gz	LXRDRFJFRZFDIK-UHFFFAOYSA-N	-1	0	268.294	0.383	20	30		CCEDRM
COCC#CC(=O)N[C@H](C)c1ccc(OCC(=O)[O-])cc1	ZINC001599139118	998095733	/nfs/dbraw/zinc/09/57/33/998095733.db2.gz	TXHSRHPMAUYQLU-LLVKDONJSA-N	-1	0	291.303	0.977	20	30		CCEDRM
COC[C@@](C)(C#N)NC(=O)c1cncc(C(=O)[O-])c1	ZINC001599144194	998183960	/nfs/dbraw/zinc/18/39/60/998183960.db2.gz	ZXQCHMDDLBTRSK-GFCCVEGCSA-N	-1	0	263.253	0.438	20	30		CCEDRM
COC[C@@](C)(NC(=O)CC1(C#N)CCOCC1)C(=O)[O-]	ZINC001599151121	998301033	/nfs/dbraw/zinc/30/10/33/998301033.db2.gz	HAPMFYPFCBMQSW-GFCCVEGCSA-N	-1	0	284.312	0.303	20	30		CCEDRM
COc1ccc(C(=O)N(CC#N)CCC(=O)[O-])c(N)c1F	ZINC001599479336	998582569	/nfs/dbraw/zinc/58/25/69/998582569.db2.gz	LCRNVFPOLXXGPR-UHFFFAOYSA-N	-1	0	295.270	0.857	20	30		CCEDRM
CC1CC(C#N)(C(=O)N2C[C@H](C(=O)[O-])C[C@H](O)C2)C1	ZINC001594200343	998773504	/nfs/dbraw/zinc/77/35/04/998773504.db2.gz	GEHJIIMGWJDFGU-YZOMMJAFSA-N	-1	0	266.297	0.220	20	30		CCEDRM
COC(=O)c1coc(/C=C\C(=O)N(CC#N)CC(=O)[O-])c1	ZINC001599014531	998927381	/nfs/dbraw/zinc/92/73/81/998927381.db2.gz	PEUPCWRZNAGMLH-IHWYPQMZSA-N	-1	0	292.247	0.516	20	30		CCEDRM
Cc1nc(N2CCC(O)(C(=O)[O-])CC2)ccc1C#N	ZINC000600676479	362031414	/nfs/dbraw/zinc/03/14/14/362031414.db2.gz	XMRFHTLSYYJOQD-UHFFFAOYSA-N	-1	0	261.281	0.678	20	30		CCEDRM
Cc1ccc(CN2CCN(C(=O)C(=O)[O-])CC2)cc1C#N	ZINC000600706192	362038029	/nfs/dbraw/zinc/03/80/29/362038029.db2.gz	COTJIPPHDVPVHX-UHFFFAOYSA-N	-1	0	287.319	0.596	20	30		CCEDRM
Cc1cc(NC[C@]2(C(=O)[O-])CCCOC2)c(C#N)cn1	ZINC000600942758	362094593	/nfs/dbraw/zinc/09/45/93/362094593.db2.gz	HMGYNDARIGPQST-CQSZACIVSA-N	-1	0	275.308	0.977	20	30		CCEDRM
CO[C@@]1(C(=O)[O-])CCN(C(=O)C2(C#N)CCCC2)C1	ZINC000600869398	362082841	/nfs/dbraw/zinc/08/28/41/362082841.db2.gz	IMTLDQYZRNDVDQ-ZDUSSCGKSA-N	-1	0	266.297	0.772	20	30		CCEDRM
CC1(C)CN(S(=O)(=O)CC2(CC#N)CC2)[C@@H]1C(=O)[O-]	ZINC000600892685	362091130	/nfs/dbraw/zinc/09/11/30/362091130.db2.gz	YELDPSGXOSSCPW-SECBINFHSA-N	-1	0	286.353	0.805	20	30		CCEDRM
C[C@@](O)(CNC(=O)Nc1ccc(F)cc1C#N)C(=O)[O-]	ZINC000126731061	187258918	/nfs/dbraw/zinc/25/89/18/187258918.db2.gz	HBOYPXUCQKAAQP-GFCCVEGCSA-N	-1	0	281.243	0.654	20	30		CCEDRM
N#C[C@H]1CSCCN1S(=O)(=O)c1ncc[n-]1	ZINC000601387152	362253528	/nfs/dbraw/zinc/25/35/28/362253528.db2.gz	OHJQHQMSFHKPPA-ZETCQYMHSA-N	-1	0	258.328	0.039	20	30		CCEDRM
C[C@@H](C(=O)[O-])N(C)S(=O)(=O)c1ccc(C#N)nc1	ZINC000127112644	187282910	/nfs/dbraw/zinc/28/29/10/187282910.db2.gz	WERIZWSRJDSUMX-ZETCQYMHSA-N	-1	0	269.282	0.047	20	30		CCEDRM
Cc1[n-][nH]c(=NC(=O)C2(CF)CCOCC2)c1C#N	ZINC000601680581	362352398	/nfs/dbraw/zinc/35/23/98/362352398.db2.gz	RVGBJLIELTYKGC-UHFFFAOYSA-N	-1	0	266.276	0.717	20	30		CCEDRM
Cc1[n-][nH]c(=NC(=O)[C@@H](C)c2ccnn2C)c1C#N	ZINC000601680617	362353125	/nfs/dbraw/zinc/35/31/25/362353125.db2.gz	UDFWNEREAPRVLJ-ZETCQYMHSA-N	-1	0	258.285	0.487	20	30		CCEDRM
CN(C(=O)c1cnc([O-])n(C)c1=O)[C@@H]1CCC[C@@H]1C#N	ZINC000601817700	362399703	/nfs/dbraw/zinc/39/97/03/362399703.db2.gz	VTLBVRRCVOKMNV-PSASIEDQSA-N	-1	0	276.296	0.250	20	30		CCEDRM
N#Cc1ccc(CCNC(=O)[C@H]2C[C@H]2C(=O)[O-])cc1	ZINC000602003747	362455731	/nfs/dbraw/zinc/45/57/31/362455731.db2.gz	WEFFQCCIZURRBZ-NWDGAFQWSA-N	-1	0	258.277	0.938	20	30		CCEDRM
CC(C)N(CC1CC1)C(=O)Cn1cc(C#N)c(=O)[n-]c1=O	ZINC000602062124	362470726	/nfs/dbraw/zinc/47/07/26/362470726.db2.gz	XYLSXSWKVIHSCH-UHFFFAOYSA-N	-1	0	290.323	0.468	20	30		CCEDRM
N#Cc1cn(CC(=O)N2CCC[C@H]2C2CC2)c(=O)[n-]c1=O	ZINC000602092261	362482756	/nfs/dbraw/zinc/48/27/56/362482756.db2.gz	VNQXKZAOCDTRBU-NSHDSACASA-N	-1	0	288.307	0.222	20	30		CCEDRM
C[C@H]1CCCCCN1C(=O)Cn1cc(C#N)c(=O)[n-]c1=O	ZINC000602099308	362486716	/nfs/dbraw/zinc/48/67/16/362486716.db2.gz	ZHHIRDWLVCRXJG-JTQLQIEISA-N	-1	0	290.323	0.612	20	30		CCEDRM
C[C@@H]1CCN(C(=O)Cn2cc(C#N)c(=O)[n-]c2=O)C[C@@H]1C	ZINC000602134191	362514085	/nfs/dbraw/zinc/51/40/85/362514085.db2.gz	TYEXFGBHAKGDIT-ZJUUUORDSA-N	-1	0	290.323	0.325	20	30		CCEDRM
CC[C@H]1CC[C@@H](C)N1C(=O)Cn1cc(C#N)c(=O)[n-]c1=O	ZINC000602132597	362511342	/nfs/dbraw/zinc/51/13/42/362511342.db2.gz	YDRNUZNKMORXKD-KOLCDFICSA-N	-1	0	290.323	0.610	20	30		CCEDRM
C[C@H]1CCCCN(C(=O)Cn2cc(C#N)c(=O)[n-]c2=O)C1	ZINC000602144591	362522842	/nfs/dbraw/zinc/52/28/42/362522842.db2.gz	RUKGNOCDKDUUGX-JTQLQIEISA-N	-1	0	290.323	0.469	20	30		CCEDRM
C[C@H]1CCn2cc(C(=O)N=c3[n-]n(C)cc3C#N)nc2C1	ZINC000602282937	362574638	/nfs/dbraw/zinc/57/46/38/362574638.db2.gz	QRZIGJKPONTDME-VIFPVBQESA-N	-1	0	284.323	0.745	20	30		CCEDRM
N#Cc1ccc(S(=O)(=O)[N-][C@H](CO)CC(F)(F)F)o1	ZINC000344722523	137209358	/nfs/dbraw/zinc/20/93/58/137209358.db2.gz	BOOZVBXKMNPWIQ-LURJTMIESA-N	-1	0	298.242	0.743	20	30		CCEDRM
COC(=O)N[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1C	ZINC000032586161	348135447	/nfs/dbraw/zinc/13/54/47/348135447.db2.gz	GLBKFHAJPSJCRN-UHFFFAOYSA-N	-1	0	289.269	0.657	20	30		CCEDRM
C[C@@H]1CN(C(=O)N=c2cccn[n-]2)C[C@@H](C)N1CC#N	ZINC000602883914	362863080	/nfs/dbraw/zinc/86/30/80/362863080.db2.gz	SDHJPCYEKFBUOK-GHMZBOCLSA-N	-1	0	274.328	0.349	20	30		CCEDRM
C[C@H]1O[C@@H](C)[C@H](C)[C@@H]1NC(=O)N=c1[n-]n(C)cc1C#N	ZINC000602885032	362864915	/nfs/dbraw/zinc/86/49/15/362864915.db2.gz	YFASGURBAJUQAJ-CKEKPRIKSA-N	-1	0	277.328	0.647	20	30		CCEDRM
Cn1cc(C#N)c(=NC(=O)N2CCC[C@@](O)(C3CC3)C2)[n-]1	ZINC000602887765	362867454	/nfs/dbraw/zinc/86/74/54/362867454.db2.gz	SDZKLCGLHPAISL-AWEZNQCLSA-N	-1	0	289.339	0.482	20	30		CCEDRM
CCO[C@H]1C[C@H](NC(=O)N=c2[n-]n(C)cc2C#N)C1	ZINC000602887744	362867463	/nfs/dbraw/zinc/86/74/63/362867463.db2.gz	RTHNPDUBUADFOY-MGCOHNPYSA-N	-1	0	263.301	0.403	20	30		CCEDRM
C[C@@H]1C[C@H](O)CCN1C(=O)N=c1[n-]n(C)cc1C#N	ZINC000602880068	362860625	/nfs/dbraw/zinc/86/06/25/362860625.db2.gz	DESFGLYEKVSSLG-PSASIEDQSA-N	-1	0	263.301	0.091	20	30		CCEDRM
Cn1cc(C#N)c(=NC(=O)N2CC[C@@H]2C(F)F)[n-]1	ZINC000602880855	362860663	/nfs/dbraw/zinc/86/06/63/362860663.db2.gz	NKXFYZROPOLJHR-SSDOTTSWSA-N	-1	0	255.228	0.585	20	30		CCEDRM
C[C@@H](C(=O)[O-])N(C)C(=O)COc1ccc(C#N)cc1	ZINC000054052450	348539423	/nfs/dbraw/zinc/53/94/23/348539423.db2.gz	FGDKDITVMROVKI-VIFPVBQESA-N	-1	0	262.265	0.869	20	30		CCEDRM
N#Cc1c[nH]nc1[N-]S(=O)(=O)c1ccc2c(c1)OCO2	ZINC000351508424	137429811	/nfs/dbraw/zinc/42/98/11/137429811.db2.gz	UAWMYVIJHPXWGK-UHFFFAOYSA-N	-1	0	292.276	0.811	20	30		CCEDRM
CC(C)CCN(CCC#N)C(=O)c1n[nH]c(=O)[n-]1	ZINC000084410120	349320763	/nfs/dbraw/zinc/32/07/63/349320763.db2.gz	DKCRQKGGIHSYGZ-UHFFFAOYSA-N	-1	0	251.290	0.912	20	30		CCEDRM
N#Cc1ccc(Cl)c(S(=O)(=O)NCCC(=O)[O-])c1	ZINC000130612127	350242527	/nfs/dbraw/zinc/24/25/27/350242527.db2.gz	AOLBOSOSDXHNQN-UHFFFAOYSA-N	-1	0	288.712	0.965	20	30		CCEDRM
C[C@@H](NS(=O)(=O)c1ccc(C#N)c(Cl)c1)C(=O)[O-]	ZINC000169007680	350834337	/nfs/dbraw/zinc/83/43/37/350834337.db2.gz	CZAXNAMIZNCVEQ-ZCFIWIBFSA-N	-1	0	288.712	0.963	20	30		CCEDRM
N#Cc1nc(NC(=O)CC[C@H]2CCOC2)[n-]c1C#N	ZINC000175964437	351151731	/nfs/dbraw/zinc/15/17/31/351151731.db2.gz	PDDSSRBFBBGNJK-QMMMGPOBSA-N	-1	0	259.269	0.908	20	30		CCEDRM
C[C@H](CO)[C@H](C)NS(=O)(=O)c1cccnc1C#N	ZINC000235469402	352184488	/nfs/dbraw/zinc/18/44/88/352184488.db2.gz	SDFVVEKJHYFPDU-BDAKNGLRSA-N	-1	0	269.326	0.248	20	30		CCEDRM
Cc1cc(S(=O)(=O)[N-]c2ncnn2C)ccc1C#N	ZINC000235906347	352189637	/nfs/dbraw/zinc/18/96/37/352189637.db2.gz	QFRNNNFOGCOPIB-UHFFFAOYSA-N	-1	0	277.309	0.796	20	30		CCEDRM
CC#CC[C@@H](NS(=O)(=O)c1ccccc1)C(=O)[O-]	ZINC000274920797	353173324	/nfs/dbraw/zinc/17/33/24/353173324.db2.gz	ARWZWBCHHXQRBY-LLVKDONJSA-N	-1	0	267.306	0.832	20	30		CCEDRM
C=CCCS(=O)(=O)NC[C@@H](Cc1cccnc1)C(=O)[O-]	ZINC000275294046	353203054	/nfs/dbraw/zinc/20/30/54/353203054.db2.gz	PTWHYPBOKXYKBQ-GFCCVEGCSA-N	-1	0	298.364	0.820	20	30		CCEDRM
C=CC[C@H](CO)NC(=O)C(C)(C)[N-]C(=O)C(F)(F)F	ZINC000277347972	353237925	/nfs/dbraw/zinc/23/79/25/353237925.db2.gz	NRAJDBOEDUBEDB-SSDOTTSWSA-N	-1	0	282.262	0.497	20	30		CCEDRM
CSCCO[N-]C(=O)C(=O)Nc1ccc(C#N)cc1	ZINC000280439042	353362489	/nfs/dbraw/zinc/36/24/89/353362489.db2.gz	MDILIDAHESGIIP-UHFFFAOYSA-N	-1	0	279.321	0.908	20	30		CCEDRM
N#Cc1cc(F)ccc1S(=O)(=O)NC1(C(=O)[O-])CCC1	ZINC000282782229	353451948	/nfs/dbraw/zinc/45/19/48/353451948.db2.gz	IRKJKQDDYDLTBP-UHFFFAOYSA-N	-1	0	298.295	0.983	20	30		CCEDRM
C[C@H](CCCNS(=O)(=O)c1cncc(C#N)c1)C(=O)[O-]	ZINC000290627266	353738491	/nfs/dbraw/zinc/73/84/91/353738491.db2.gz	KVMALLMXLQENTE-SECBINFHSA-N	-1	0	297.336	0.732	20	30		CCEDRM
CCn1ccnc1CNS(=O)(=O)c1cccnc1C#N	ZINC000295527880	353900440	/nfs/dbraw/zinc/90/04/40/353900440.db2.gz	QAEZEKFPLGWYMK-UHFFFAOYSA-N	-1	0	291.336	0.648	20	30		CCEDRM
C=CCCO[C@H](C)C(=O)Nc1n[n-]c(S(C)(=O)=O)n1	ZINC000338111464	355309551	/nfs/dbraw/zinc/30/95/51/355309551.db2.gz	ICWQXOYPNXSFBL-SSDOTTSWSA-N	-1	0	288.329	0.128	20	30		CCEDRM
CC(C)(NC(=O)c1ccc(F)c(C#N)c1)c1nnn[n-]1	ZINC000353471215	356232014	/nfs/dbraw/zinc/23/20/14/356232014.db2.gz	LGPOTPZTFQNNCK-UHFFFAOYSA-N	-1	0	274.259	0.876	20	30		CCEDRM
N#Cc1cccc(F)c1CC(=O)NCc1n[nH]c(=O)[n-]1	ZINC000353655775	356266685	/nfs/dbraw/zinc/26/66/85/356266685.db2.gz	QMZDRIGEBZYJEB-UHFFFAOYSA-N	-1	0	275.243	0.380	20	30		CCEDRM
Cc1c(C#N)cccc1NC(=O)c1cnc([O-])n(C)c1=O	ZINC000433325296	235613613	/nfs/dbraw/zinc/61/36/13/235613613.db2.gz	IJNANAMQBAREJQ-UHFFFAOYSA-N	-1	0	284.275	0.918	20	30		CCEDRM
CC(C)(NC(=O)c1ccc(C#N)cc1)c1nnn[n-]1	ZINC000359795969	356895804	/nfs/dbraw/zinc/89/58/04/356895804.db2.gz	WPWHQSZASVOEEP-UHFFFAOYSA-N	-1	0	256.269	0.736	20	30		CCEDRM
CN(Cc1ccncc1)C(=O)N=c1[n-]n(C)cc1C#N	ZINC000610528092	363572949	/nfs/dbraw/zinc/57/29/49/363572949.db2.gz	MUOCYICYCSIXTM-UHFFFAOYSA-N	-1	0	270.296	0.773	20	30		CCEDRM
CCOC[C@H]1CCN(C(=O)N=c2[n-]n(C)cc2C#N)C1	ZINC000610560911	363576795	/nfs/dbraw/zinc/57/67/95/363576795.db2.gz	BEZURBHXUZEOIM-JTQLQIEISA-N	-1	0	277.328	0.604	20	30		CCEDRM
Cc1[n-][nH]c(=NC(=O)[C@H]2Cc3ccccc3O2)c1C#N	ZINC000377222821	357554969	/nfs/dbraw/zinc/55/49/69/357554969.db2.gz	NMOBIPMMJLDLTN-GFCCVEGCSA-N	-1	0	268.276	0.954	20	30		CCEDRM
C[C@]12CCC(=O)N1[C@H](C(=O)N=c1[nH][n-]cc1C#N)CS2	ZINC000610620431	363587316	/nfs/dbraw/zinc/58/73/16/363587316.db2.gz	CWCIYOQZAYMAIY-UFBFGSQYSA-N	-1	0	291.336	0.096	20	30		CCEDRM
CC1(S(=O)(=O)[N-]C(=O)c2ccnc(C#N)c2)CC1	ZINC000408350470	358046409	/nfs/dbraw/zinc/04/64/09/358046409.db2.gz	RCAWJQBPQRPPOA-UHFFFAOYSA-N	-1	0	265.294	0.565	20	30		CCEDRM
C=C[C@@H]1OCC[C@H]1NC(=O)NC[C@@H](C(=O)[O-])C(C)C	ZINC000655878343	412674825	/nfs/dbraw/zinc/67/48/25/412674825.db2.gz	DQHXYBFZMKHWDQ-MXWKQRLJSA-N	-1	0	270.329	0.986	20	30		CCEDRM
Cc1[nH]c(=O)c(C#N)c(C)c1CCC(=O)N(C)CC(=O)[O-]	ZINC000569575423	358774817	/nfs/dbraw/zinc/77/48/17/358774817.db2.gz	JTFWLFWWOJJMLO-UHFFFAOYSA-N	-1	0	291.307	0.751	20	30		CCEDRM
CSc1[n-]c(=O)c(C(=O)NCC2(CO)CC2)cc1C#N	ZINC000610913650	363631183	/nfs/dbraw/zinc/63/11/83/363631183.db2.gz	MLFARIPREHZDOU-UHFFFAOYSA-N	-1	0	293.348	0.883	20	30		CCEDRM
N#CC1(C(=O)N=c2cc(C(N)=O)[n-][nH]2)CCCCC1	ZINC000610872394	363624574	/nfs/dbraw/zinc/62/45/74/363624574.db2.gz	RAKRWKKEOQPFRI-UHFFFAOYSA-N	-1	0	261.285	0.343	20	30		CCEDRM
CC[C@@H](NC(=O)N=c1[n-]n(C)cc1C#N)[C@H]1CCCO1	ZINC000611127428	363662393	/nfs/dbraw/zinc/66/23/93/363662393.db2.gz	DPVOMLQDILNVQY-GHMZBOCLSA-N	-1	0	277.328	0.793	20	30		CCEDRM
C[C@H]1CCC[C@]1(O)CNC(=O)N=c1[n-]n(C)cc1C#N	ZINC000590819467	359526577	/nfs/dbraw/zinc/52/65/77/359526577.db2.gz	KMYKZNDQSGVWEU-ZANVPECISA-N	-1	0	277.328	0.386	20	30		CCEDRM
N#Cc1ccc(CNC(=O)c2n[nH]c(=O)[n-]c2=O)cc1	ZINC000611219991	363685729	/nfs/dbraw/zinc/68/57/29/363685729.db2.gz	JHGTUJHSWZXLDM-UHFFFAOYSA-N	-1	0	271.236	0.084	20	30		CCEDRM
CCc1c(C(=O)N=c2[n-]n(C)c(C)c2C#N)cnn1C	ZINC000592647686	359908044	/nfs/dbraw/zinc/90/80/44/359908044.db2.gz	UFBPWKDRQPUXHL-UHFFFAOYSA-N	-1	0	272.312	0.570	20	30		CCEDRM
CCn1nc(C)cc1C(=O)N=c1[n-]n(C)c(C)c1C#N	ZINC000592645266	359908251	/nfs/dbraw/zinc/90/82/51/359908251.db2.gz	FXBMKDQOWGZNAM-UHFFFAOYSA-N	-1	0	272.312	0.799	20	30		CCEDRM
Cc1c(C#N)c(=NC(=O)[C@@H]2C[C@@]23CCOC3)[n-]n1C	ZINC000592653119	359909048	/nfs/dbraw/zinc/90/90/48/359909048.db2.gz	KRBPZHQYYNEJEG-GXFFZTMASA-N	-1	0	260.297	0.387	20	30		CCEDRM
C=CCn1cc(C(=O)NCCSCC(=O)[O-])nn1	ZINC000592954198	359995177	/nfs/dbraw/zinc/99/51/77/359995177.db2.gz	HAUHIQDARPBKRC-UHFFFAOYSA-N	-1	0	270.314	0.012	20	30		CCEDRM
C[C@H](CC#N)N(C)S(=O)(=O)N1CCC[C@@H]1CC(=O)[O-]	ZINC000593269805	360058798	/nfs/dbraw/zinc/05/87/98/360058798.db2.gz	OSFXCNRYBLSBCR-NXEZZACHSA-N	-1	0	289.357	0.404	20	30		CCEDRM
CN(CCC#N)S(=O)(=O)NC[C@@H](CC1CC1)C(=O)[O-]	ZINC000593275585	360059379	/nfs/dbraw/zinc/05/93/79/360059379.db2.gz	DZPNNHQHIUWCSD-SNVBAGLBSA-N	-1	0	289.357	0.167	20	30		CCEDRM
CC[C@H](C#N)C(=O)N=c1cc(-c2nccn2C)[n-][nH]1	ZINC000593894612	360197428	/nfs/dbraw/zinc/19/74/28/360197428.db2.gz	OZVFWMNAVYWFLD-MRVPVSSYSA-N	-1	0	258.285	0.720	20	30		CCEDRM
CCN(CCC#N)S(=O)(=O)NC[C@@H](C(=O)[O-])C(C)C	ZINC000593944874	360221154	/nfs/dbraw/zinc/22/11/54/360221154.db2.gz	NTMXLXTWUFXBMJ-SNVBAGLBSA-N	-1	0	291.373	0.413	20	30		CCEDRM
COCC1(C)CCN(C(=O)N=c2[n-]n(C)cc2C#N)CC1	ZINC000611358127	363711259	/nfs/dbraw/zinc/71/12/59/363711259.db2.gz	JTIDYAPFTIPBFB-UHFFFAOYSA-N	-1	0	291.355	0.994	20	30		CCEDRM
Cc1cc(C#N)cc(NC(=O)C(=O)NC[C@@H](C)C(=O)[O-])c1	ZINC000594527284	360326514	/nfs/dbraw/zinc/32/65/14/360326514.db2.gz	JVDKDAXJXIDLJU-SECBINFHSA-N	-1	0	289.291	0.642	20	30		CCEDRM
N#Cc1ncn(CC(=O)NCc2cccc(C(=O)[O-])c2)n1	ZINC000611441442	363718338	/nfs/dbraw/zinc/71/83/38/363718338.db2.gz	VPSNXFAPEHPFLG-UHFFFAOYSA-N	-1	0	285.263	0.164	20	30		CCEDRM
CO[C@H](CS(=O)(=O)N[C@@H](C#N)C(C)C)[C@H]1CCOC1	ZINC000594723931	360368295	/nfs/dbraw/zinc/36/82/95/360368295.db2.gz	REISTGDAPZDRQH-SDDRHHMPSA-N	-1	0	290.385	0.505	20	30		CCEDRM
C=CCOCC[N-]S(=O)(=O)c1ncccc1[N+](=O)[O-]	ZINC000594770428	360379517	/nfs/dbraw/zinc/37/95/17/360379517.db2.gz	GQRHVUGYZKSDDR-UHFFFAOYSA-N	-1	0	287.297	0.471	20	30		CCEDRM
N#CCCC[N-]S(=O)(=O)c1ncccc1[N+](=O)[O-]	ZINC000594774124	360380507	/nfs/dbraw/zinc/38/05/07/360380507.db2.gz	XUHBYRLHESJXBR-UHFFFAOYSA-N	-1	0	270.270	0.572	20	30		CCEDRM
C=CCCSCCNC(=O)C(=O)NCCC(=O)[O-]	ZINC000595275757	360474282	/nfs/dbraw/zinc/47/42/82/360474282.db2.gz	HQYGGHJDAAHESK-UHFFFAOYSA-N	-1	0	274.342	0.003	20	30		CCEDRM
C=CCCn1cc(CN2CCOC[C@H]2C(=O)[O-])nn1	ZINC000655927973	412704312	/nfs/dbraw/zinc/70/43/12/412704312.db2.gz	JYCWNVCPSFAJMQ-NSHDSACASA-N	-1	0	266.301	0.140	20	30		CCEDRM
Cc1cc(N[C@@H]2C[C@@H](C(=O)[O-])C[C@@H]2O)c(C#N)cn1	ZINC000595977569	360753745	/nfs/dbraw/zinc/75/37/45/360753745.db2.gz	GYYCBTOIEUGQOK-FXAINCCUSA-N	-1	0	261.281	0.320	20	30		CCEDRM
Cc1ccc(N[C@@H]2C[C@H](C(=O)[O-])C[C@H]2O)nc1C#N	ZINC000595979065	360754774	/nfs/dbraw/zinc/75/47/74/360754774.db2.gz	QDJJWWQGNNYLSQ-IQJOONFLSA-N	-1	0	261.281	0.320	20	30		CCEDRM
Cc1cc(C#N)nc(N[C@@H]2C[C@H](C(=O)[O-])C[C@H]2O)n1	ZINC000595978402	360754950	/nfs/dbraw/zinc/75/49/50/360754950.db2.gz	LOKIIZYFNXFCAM-FXBDTBDDSA-N	-1	0	262.269	0.293	20	30		CCEDRM
N#Cc1cccc(C=CC(=O)NCCc2nc(=O)o[n-]2)c1	ZINC000493558329	238205174	/nfs/dbraw/zinc/20/51/74/238205174.db2.gz	QJGQPZCJUBQQOQ-PLNGDYQASA-N	-1	0	284.275	0.607	20	30		CCEDRM
N#C[C@H]1CN(C(=O)NC[C@@H](C(=O)[O-])C2CCC2)CCO1	ZINC000596650137	360936597	/nfs/dbraw/zinc/93/65/97/360936597.db2.gz	KXYKIOIJZBDZFR-WDEREUQCSA-N	-1	0	281.312	0.421	20	30		CCEDRM
N#C[C@@H]1CN(C(=O)NC[C@@H](C(=O)[O-])C2CCC2)CCO1	ZINC000596650131	360936618	/nfs/dbraw/zinc/93/66/18/360936618.db2.gz	KXYKIOIJZBDZFR-GHMZBOCLSA-N	-1	0	281.312	0.421	20	30		CCEDRM
N#Cc1c(C2CC2)[n-][nH]c1=NC(=O)[C@@H]1CCNC(=O)C1	ZINC000563762063	291250371	/nfs/dbraw/zinc/25/03/71/291250371.db2.gz	KKRGVAWSKQAQQO-MRVPVSSYSA-N	-1	0	273.296	0.045	20	30		CCEDRM
Cn1cc(C#N)cc1C(=O)N=c1[n-]nc(C2CC2)n1C	ZINC000597899186	361279771	/nfs/dbraw/zinc/27/97/71/361279771.db2.gz	VGVZOPRMTOZDQR-UHFFFAOYSA-N	-1	0	270.296	0.577	20	30		CCEDRM
CCN(C(=O)c1c[nH]c2nc(=O)[n-]c(=O)c-2c1)[C@H](C)C#N	ZINC000598352141	361393764	/nfs/dbraw/zinc/39/37/64/361393764.db2.gz	HFFKYYDZUZMPNN-SSDOTTSWSA-N	-1	0	287.279	0.810	20	30		CCEDRM
CCC1(NC(=O)N=c2[n-]n(C)cc2C#N)CCOCC1	ZINC000611944456	363810542	/nfs/dbraw/zinc/81/05/42/363810542.db2.gz	QKYUTZIFAGXGDM-UHFFFAOYSA-N	-1	0	277.328	0.794	20	30		CCEDRM
N#Cc1ccc(S(=O)(=O)[N-]c2n[nH]cc2C(N)=O)cc1	ZINC000613072672	364102509	/nfs/dbraw/zinc/10/25/09/364102509.db2.gz	MHJALSVMUKDBTI-UHFFFAOYSA-N	-1	0	291.292	0.181	20	30		CCEDRM
Cn1cc(C#N)c(=NC(=O)N2CCC(O)(C(F)F)CC2)[n-]1	ZINC000614688617	364698934	/nfs/dbraw/zinc/69/89/34/364698934.db2.gz	VHPTZUYOJSMWQR-UHFFFAOYSA-N	-1	0	299.281	0.338	20	30		CCEDRM
N#Cc1ccc(S(=O)(=O)NC/C=C/C(=O)[O-])c(F)c1	ZINC000788444876	581111576	/nfs/dbraw/zinc/11/15/76/581111576.db2.gz	FKOCPUAGUUMSMC-OWOJBTEDSA-N	-1	0	284.268	0.616	20	30		CCEDRM
C=CC[C@@H](NS(=O)(=O)c1cnc(C)n1C)C(=O)[O-]	ZINC000629294806	369621897	/nfs/dbraw/zinc/62/18/97/369621897.db2.gz	DHEGWABPPITKOH-MRVPVSSYSA-N	-1	0	273.314	0.036	20	30		CCEDRM
C=C(C)CS(=O)(=O)N[C@H](C[C@@H]1CCCOC1)C(=O)[O-]	ZINC000629338559	369635440	/nfs/dbraw/zinc/63/54/40/369635440.db2.gz	PHBDDSPNIPMZNL-WDEREUQCSA-N	-1	0	291.369	0.752	20	30		CCEDRM
C=CCCN(C)C(=O)C(=O)N1CC[C@@H](C(=O)[O-])[C@H](C)C1	ZINC000629773137	369772870	/nfs/dbraw/zinc/77/28/70/369772870.db2.gz	ASCSVWNCLFAWBK-GHMZBOCLSA-N	-1	0	282.340	0.590	20	30		CCEDRM
C=C(C)C[C@@H](NC(=O)CN1CSCC1=O)C(=O)[O-]	ZINC000630316825	370045196	/nfs/dbraw/zinc/04/51/96/370045196.db2.gz	IVDUOOINJMWFKV-MRVPVSSYSA-N	-1	0	272.326	0.055	20	30		CCEDRM
C=C[C@@H]1OCC[C@H]1CNC(=O)c1cc(C(=O)[O-])nn1C	ZINC000630196263	370001096	/nfs/dbraw/zinc/00/10/96/370001096.db2.gz	YVSIAAHOHFPEAC-KWQFWETISA-N	-1	0	279.296	0.439	20	30		CCEDRM
C=C(C)C[C@@H](NC(=O)CNC(=O)C1CC1)C(=O)[O-]	ZINC000630318583	370045919	/nfs/dbraw/zinc/04/59/19/370045919.db2.gz	JOIPLJRXGYJQMM-SECBINFHSA-N	-1	0	254.286	0.048	20	30		CCEDRM
C=CCN(C(=O)Cn1cc(C(=O)[O-])cn1)[C@H](C)COC	ZINC000630208968	370008710	/nfs/dbraw/zinc/00/87/10/370008710.db2.gz	WPCOAZHPNAEGRO-SNVBAGLBSA-N	-1	0	281.312	0.631	20	30		CCEDRM
C=C(C)C[C@@H](NC(=O)Cc1ccnn1C)C(=O)[O-]	ZINC000630321770	370046977	/nfs/dbraw/zinc/04/69/77/370046977.db2.gz	MWZDWZMVAREOMH-SNVBAGLBSA-N	-1	0	251.286	0.498	20	30		CCEDRM
C=C(C)C[C@@H](NC(=O)c1cn(C2CC2)nn1)C(=O)[O-]	ZINC000630321183	370047029	/nfs/dbraw/zinc/04/70/29/370047029.db2.gz	GQXCYYAZFIVCHM-SECBINFHSA-N	-1	0	264.285	0.762	20	30		CCEDRM
C=C(C)C[C@H](NC(=O)CCOCCOC)C(=O)[O-]	ZINC000630325448	370047919	/nfs/dbraw/zinc/04/79/19/370047919.db2.gz	JTVJFDSANVACGI-JTQLQIEISA-N	-1	0	259.302	0.575	20	30		CCEDRM
C=CCC[C@@H](NC(=O)[C@H]1COCCN1CC)C(=O)[O-]	ZINC000630181376	369993878	/nfs/dbraw/zinc/99/38/78/369993878.db2.gz	IUTUFWXNBVRJIW-GHMZBOCLSA-N	-1	0	270.329	0.243	20	30		CCEDRM
C=C(C)C[C@@H](NS(=O)(=O)[C@H]1CCOC1)C(=O)[O-]	ZINC000630438380	370117069	/nfs/dbraw/zinc/11/70/69/370117069.db2.gz	PBCPOPMWNCLRCP-DTWKUNHWSA-N	-1	0	263.315	0.114	20	30		CCEDRM
C=C(C)C[C@H](NS(=O)(=O)CCCF)C(=O)[O-]	ZINC000630438337	370117346	/nfs/dbraw/zinc/11/73/46/370117346.db2.gz	OLMAOJIYYMFTLN-QMMMGPOBSA-N	-1	0	253.295	0.685	20	30		CCEDRM
CC[C@H](C(=O)[O-])N(C)S(=O)(=O)N(C)C[C@@H](C)C#N	ZINC000574404751	335017017	/nfs/dbraw/zinc/01/70/17/335017017.db2.gz	SGYNQSSPCYVWCT-DTWKUNHWSA-N	-1	0	277.346	0.118	20	30		CCEDRM
C=CCn1cc(CNC(=O)[C@H]2CCC[C@H]2C(=O)[O-])nn1	ZINC000634843807	372269200	/nfs/dbraw/zinc/26/92/00/372269200.db2.gz	WIHVMKRDEIYWOW-WDEREUQCSA-N	-1	0	278.312	0.581	20	30		CCEDRM
C=C(C)CS(=O)(=O)N1CCC(COC)(C(=O)[O-])CC1	ZINC000574450110	335020403	/nfs/dbraw/zinc/02/04/03/335020403.db2.gz	HICYFRQZZJZHJB-UHFFFAOYSA-N	-1	0	291.369	0.706	20	30		CCEDRM
C=CCOCCNC(=O)N(CC(=O)[O-])C1CCOCC1	ZINC000656583257	412830494	/nfs/dbraw/zinc/83/04/94/412830494.db2.gz	YMFHNMBLXRJIER-UHFFFAOYSA-N	-1	0	286.328	0.464	20	30		CCEDRM
C=CCOCCCNC(=O)N[C@H](CCF)C(=O)[O-]	ZINC000656595101	412833730	/nfs/dbraw/zinc/83/37/30/412833730.db2.gz	BVXXZCVDHPFGLO-SECBINFHSA-N	-1	0	262.281	0.691	20	30		CCEDRM
C=C[C@H](CO)NC(=O)N=c1[n-]nc([C@H]2CCCO2)s1	ZINC000640737313	376515839	/nfs/dbraw/zinc/51/58/39/376515839.db2.gz	JJAZMZYXUYPCJL-HTQZYQBOSA-N	-1	0	284.341	0.480	20	30		CCEDRM
N#Cc1ccc(S(=O)(=O)N2C[C@@H]3C[C@]3(C(=O)[O-])C2)cc1	ZINC000572175035	291862306	/nfs/dbraw/zinc/86/23/06/291862306.db2.gz	UGHUWUVBPDBFEI-GWCFXTLKSA-N	-1	0	292.316	0.653	20	30		CCEDRM
COCCOCCNC(=O)c1ccc(C#N)c(O)c1	ZINC000188371416	388926166	/nfs/dbraw/zinc/92/61/66/388926166.db2.gz	WQGSUWKUTBVFBA-UHFFFAOYSA-N	-1	0	264.281	0.657	20	30		CCEDRM
C=CCN(CC(=O)[O-])S(=O)(=O)c1cccc(C#N)c1	ZINC000092464091	389028162	/nfs/dbraw/zinc/02/81/62/389028162.db2.gz	WVGYYWMVADXPJN-UHFFFAOYSA-N	-1	0	280.305	0.820	20	30		CCEDRM
C#CCN(C)C(=O)Cn1c(=O)c2ccccc2[n-]c1=S	ZINC000191520962	389012316	/nfs/dbraw/zinc/01/23/16/389012316.db2.gz	IBQGFOJZRAJRPW-UHFFFAOYSA-N	-1	0	287.344	0.777	20	30		CCEDRM
Cc1c(C#N)cccc1C(=O)NC1(c2nnn[n-]2)CC1	ZINC000338228388	389094701	/nfs/dbraw/zinc/09/47/01/389094701.db2.gz	UIFJOALRUNMTDF-UHFFFAOYSA-N	-1	0	268.280	0.799	20	30		CCEDRM
C=C(C)[C@H]1OCC[C@@H]1C(=O)N=c1[nH][n-]c(C)c1C#N	ZINC000357256048	389132481	/nfs/dbraw/zinc/13/24/81/389132481.db2.gz	KFFFFNAZJSOVLK-GXSJLCMTSA-N	-1	0	260.297	0.931	20	30		CCEDRM
CN(C)C(=O)[C@H]1CC[C@@H](C(=O)Nc2nncn2C2CC2)O1	ZINC000329310871	389155957	/nfs/dbraw/zinc/15/59/57/389155957.db2.gz	FZLRRQSKDCMYCW-VHSXEESVSA-N	-1	0	293.327	0.837	20	30		CCEDRM
C=CC[C@H](NS(=O)(=O)c1cnc(C)s1)C(=O)[O-]	ZINC000230028932	389157454	/nfs/dbraw/zinc/15/74/54/389157454.db2.gz	PKJCODVRKGBTCD-ZETCQYMHSA-N	-1	0	276.339	0.759	20	30		CCEDRM
CN1CCC[C@@H](NC(=O)c2cccn3c([O-])nnc23)C1=O	ZINC000329346975	389159127	/nfs/dbraw/zinc/15/91/27/389159127.db2.gz	RPSOFMVHDBYGEQ-SECBINFHSA-N	-1	0	289.295	0.360	20	30		CCEDRM
C=CCN=c1[n-]nc(S(=O)(=O)Cc2cncn2C)s1	ZINC000358735296	389159392	/nfs/dbraw/zinc/15/93/92/389159392.db2.gz	NQNFJYGNFQSLRV-UHFFFAOYSA-N	-1	0	299.381	0.265	20	30		CCEDRM
Cc1[nH]nc([N-]S(=O)(=O)c2ccc(C#N)o2)c1C(N)=O	ZINC000340982453	389174812	/nfs/dbraw/zinc/17/48/12/389174812.db2.gz	QKSPKVBEOYBLKP-UHFFFAOYSA-N	-1	0	295.280	0.083	20	30		CCEDRM
CC#CCNC(=O)c1ccc(-c2nc(=O)o[n-]2)cc1	ZINC000342996990	389256658	/nfs/dbraw/zinc/25/66/58/389256658.db2.gz	WPWKTALEXHOGLL-UHFFFAOYSA-N	-1	0	257.249	0.783	20	30		CCEDRM
N#Cc1ccc(S(=O)(=O)N[C@H]2C=C[C@@H](C(=O)[O-])C2)cn1	ZINC000159668027	389370803	/nfs/dbraw/zinc/37/08/03/389370803.db2.gz	LMYVZWQKAVQEJD-BDAKNGLRSA-N	-1	0	293.304	0.261	20	30		CCEDRM
C=CCNC(=O)CNC(=O)N=c1ccc(C2CC2)n[n-]1	ZINC000348239648	389370982	/nfs/dbraw/zinc/37/09/82/389370982.db2.gz	BOHPIUNAGXVHOB-UHFFFAOYSA-N	-1	0	275.312	0.200	20	30		CCEDRM
C=CC1CCN(C(=O)C(=O)N=c2cc(C)c(C)n[n-]2)CC1	ZINC000411219727	389421369	/nfs/dbraw/zinc/42/13/69/389421369.db2.gz	QXKUFAUHBYADOH-UHFFFAOYSA-N	-1	0	288.351	0.878	20	30		CCEDRM
CCOC(=O)[C@H](CC)C(=O)Nc1nc(C#N)c(C#N)[n-]1	ZINC000411366453	389425732	/nfs/dbraw/zinc/42/57/32/389425732.db2.gz	PTSVJPPRLQLMOI-SSDOTTSWSA-N	-1	0	275.268	0.681	20	30		CCEDRM
C=C(C)COCCNC(=O)NC1(C(=O)[O-])CCC1	ZINC000164153005	389432319	/nfs/dbraw/zinc/43/23/19/389432319.db2.gz	BJBOJHAKFYJDRN-UHFFFAOYSA-N	-1	0	256.302	0.886	20	30		CCEDRM
Cc1nnc2ccc(C(=O)Nc3nc(C#N)c(C#N)[n-]3)cn12	ZINC000350144840	389492725	/nfs/dbraw/zinc/49/27/25/389492725.db2.gz	URGDFPOQKQTSCH-UHFFFAOYSA-N	-1	0	292.262	0.756	20	30		CCEDRM
N#Cc1ccc(CS(=O)(=O)c2n[n-]c(=N)s2)cc1F	ZINC000350213712	389498040	/nfs/dbraw/zinc/49/80/40/389498040.db2.gz	BEIMGWLGPWXPGK-UHFFFAOYSA-N	-1	0	298.324	0.935	20	30		CCEDRM
C=C(C)[C@@H]1OCC[C@H]1CNC(=O)c1cnc([O-])n(C)c1=O	ZINC000281187870	389610066	/nfs/dbraw/zinc/61/00/66/389610066.db2.gz	CAIVJQVDHJGRCT-ONGXEEELSA-N	-1	0	293.323	0.197	20	30		CCEDRM
C=C(C)CCNC(=O)N=c1ncn(CC(=O)OCC)[n-]1	ZINC000425700891	389655502	/nfs/dbraw/zinc/65/55/02/389655502.db2.gz	BUIQBLQXDDHTBZ-UHFFFAOYSA-N	-1	0	281.316	0.351	20	30		CCEDRM
C[C@@H](CN(C)C(=O)c1cc(C#N)c[nH]1)c1nnn[n-]1	ZINC000352472392	389816101	/nfs/dbraw/zinc/81/61/01/389816101.db2.gz	CTXHMYDUDCKYHC-ZETCQYMHSA-N	-1	0	259.273	0.275	20	30		CCEDRM
COC[C@@](C)(NCc1nc(C#N)cs1)C(=O)[O-]	ZINC000417563108	389831315	/nfs/dbraw/zinc/83/13/15/389831315.db2.gz	CWVAQXVJFIIGMP-SNVBAGLBSA-N	-1	0	255.299	0.594	20	30		CCEDRM
N#Cc1csc(CN[C@@]2(C(=O)[O-])CCOC2)n1	ZINC000417565423	389831701	/nfs/dbraw/zinc/83/17/01/389831701.db2.gz	KTRZOOITYDLPHB-JTQLQIEISA-N	-1	0	253.283	0.348	20	30		CCEDRM
Cc1[n-][nH]c(=NC(=O)c2cnn(C)c2C2CC2)c1C#N	ZINC000431687920	389864723	/nfs/dbraw/zinc/86/47/23/389864723.db2.gz	ASJGZCZMAAVXQG-UHFFFAOYSA-N	-1	0	270.296	0.875	20	30		CCEDRM
Cn1cc(C#N)c(=NC(=O)c2cc(C#N)cn2C)[n-]1	ZINC000433979173	389922422	/nfs/dbraw/zinc/92/24/22/389922422.db2.gz	OJHSEADTAIAFMA-UHFFFAOYSA-N	-1	0	254.253	0.176	20	30		CCEDRM
Cc1oc(C#N)cc1C(=O)N=c1[n-]n(C)cc1C#N	ZINC000439078448	390014250	/nfs/dbraw/zinc/01/42/50/390014250.db2.gz	NXOBPNYZEXPKSB-UHFFFAOYSA-N	-1	0	255.237	0.739	20	30		CCEDRM
C=CCn1cc(C(=O)N2CC[C@@](C)(C(=O)[O-])C2)nn1	ZINC000647733687	390149952	/nfs/dbraw/zinc/14/99/52/390149952.db2.gz	WWIUBNUXQPQMOP-GFCCVEGCSA-N	-1	0	264.285	0.401	20	30		CCEDRM
C=CCn1cc(C(=O)N2C[C@H](C)C[C@H](C(=O)[O-])C2)nn1	ZINC000647743070	390156343	/nfs/dbraw/zinc/15/63/43/390156343.db2.gz	WLHHPKHNFMHZMV-ZJUUUORDSA-N	-1	0	278.312	0.647	20	30		CCEDRM
C[C@@H](CN(C)S(=O)(=O)c1ccsc1C#N)C(=O)[O-]	ZINC000593269690	390365720	/nfs/dbraw/zinc/36/57/20/390365720.db2.gz	OFHUYNWIICXUMU-ZETCQYMHSA-N	-1	0	288.350	0.961	20	30		CCEDRM
CCOC(=O)[C@@H](NC(=O)Nc1cccc(C#N)c1)C(=O)[O-]	ZINC000583865031	390317906	/nfs/dbraw/zinc/31/79/06/390317906.db2.gz	SUOUHXLAYDYJRZ-JTQLQIEISA-N	-1	0	291.263	0.696	20	30		CCEDRM
CCn1cc(C(=O)C(=O)N=c2[n-]n(C)c(C)c2C#N)cn1	ZINC000648434520	390372507	/nfs/dbraw/zinc/37/25/07/390372507.db2.gz	OHLMECAXDRMIQJ-UHFFFAOYSA-N	-1	0	286.295	0.060	20	30		CCEDRM
C=C[C@@H]1OCC[C@H]1C(=O)NC1(c2nnn[n-]2)CCCC1	ZINC000564705381	390496565	/nfs/dbraw/zinc/49/65/65/390496565.db2.gz	PHJPYXNATYOHNC-ZJUUUORDSA-N	-1	0	277.328	0.676	20	30		CCEDRM
C[C@@H]1C[C@@]1(C#N)C(=O)N1CCC(c2n[nH]c(=O)[n-]2)CC1	ZINC000565026257	390498805	/nfs/dbraw/zinc/49/88/05/390498805.db2.gz	JPUJOOUCFZCFSQ-OQPBUACISA-N	-1	0	275.312	0.766	20	30		CCEDRM
C=C[C@@](C)(O)CC(=O)N=c1cc(C(=O)OCC)[n-][nH]1	ZINC000516220044	390480326	/nfs/dbraw/zinc/48/03/26/390480326.db2.gz	KSIZKELOZHLCMG-GFCCVEGCSA-N	-1	0	267.285	0.274	20	30		CCEDRM
C=CC[C@@H](CO)NC(=O)N=c1cc(C)c(C)n[n-]1	ZINC000561992821	390487521	/nfs/dbraw/zinc/48/75/21/390487521.db2.gz	HREVOVLCAZUOFE-JTQLQIEISA-N	-1	0	250.302	0.574	20	30		CCEDRM
C=C(C)C[C@@H](C)C(=O)N1Cc2nncn2C[C@@H]1C(=O)[O-]	ZINC000643858372	390585328	/nfs/dbraw/zinc/58/53/28/390585328.db2.gz	ACTHCTITTNFPFM-NXEZZACHSA-N	-1	0	278.312	0.676	20	30		CCEDRM
C=CCn1cc(C(=O)N2CC[C@@H](C)C[C@H]2C(=O)[O-])nn1	ZINC000649251002	390538453	/nfs/dbraw/zinc/53/84/53/390538453.db2.gz	FEBJEKQYZRMNGT-KOLCDFICSA-N	-1	0	278.312	0.789	20	30		CCEDRM
N#Cc1nc(N)n(Cc2cccc(C(=O)[O-])c2)c1C#N	ZINC000566756577	390645433	/nfs/dbraw/zinc/64/54/33/390645433.db2.gz	QJESWXNQYITBKI-UHFFFAOYSA-N	-1	0	267.248	0.786	20	30		CCEDRM
CCC(C)(C)[C@H](NS(=O)(=O)N(C)CCC#N)C(=O)[O-]	ZINC000567886217	390711445	/nfs/dbraw/zinc/71/14/45/390711445.db2.gz	JKCZPUIWBNXDTB-SECBINFHSA-N	-1	0	291.373	0.556	20	30		CCEDRM
C=CCN(CC(=O)[O-])S(=O)(=O)CCC(F)(F)F	ZINC000568398296	390713877	/nfs/dbraw/zinc/71/38/77/390713877.db2.gz	BNZPIUFGSMGQDM-UHFFFAOYSA-N	-1	0	275.248	0.841	20	30		CCEDRM
C=CCC[C@@H](NS(=O)(=O)CC[C@@H]1CCOC1)C(=O)[O-]	ZINC000569683065	390716169	/nfs/dbraw/zinc/71/61/69/390716169.db2.gz	MKAAUHLKNKFPPQ-WDEREUQCSA-N	-1	0	291.369	0.752	20	30		CCEDRM
C[C@@H]1CCN(S(=O)(=O)N(C)CCC#N)C[C@@H]1C(=O)[O-]	ZINC000570397643	390718407	/nfs/dbraw/zinc/71/84/07/390718407.db2.gz	PJZPCEDULXTYNM-ZJUUUORDSA-N	-1	0	289.357	0.119	20	30		CCEDRM
N#CCC1(CS(=O)(=O)N2C[C@H]3C[C@@]3(C(=O)[O-])C2)CC1	ZINC000570400634	390718580	/nfs/dbraw/zinc/71/85/80/390718580.db2.gz	AXPUIBFNSDUKJV-BXKDBHETSA-N	-1	0	284.337	0.417	20	30		CCEDRM
C=C[C@@](C)(CCOC)C(=O)NCCc1c(C)[nH][nH]c1=O	ZINC000526115405	390677568	/nfs/dbraw/zinc/67/75/68/390677568.db2.gz	FPNTUWAFRUQSQG-RISCZKNCSA-N	-1	0	281.356	0.843	20	30		CCEDRM
CN(CCC#N)S(=O)(=O)N[C@@H](CC1CCC1)C(=O)[O-]	ZINC000530473129	390876892	/nfs/dbraw/zinc/87/68/92/390876892.db2.gz	MVLAPCXWDUTKOB-JTQLQIEISA-N	-1	0	289.357	0.310	20	30		CCEDRM
C=CCCN(C)C(=O)C(=O)N1CC[C@H](C)[C@H](C(=O)[O-])C1	ZINC000647504532	390825501	/nfs/dbraw/zinc/82/55/01/390825501.db2.gz	AFYFOMMGSLQHDT-WDEREUQCSA-N	-1	0	282.340	0.590	20	30		CCEDRM
CC(C)(C#N)CC(=O)[N-]S(=O)(=O)[C@H]1CCOC1	ZINC000786416237	581599810	/nfs/dbraw/zinc/59/98/10/581599810.db2.gz	ABMGZBVYAHVVSB-QMMMGPOBSA-N	-1	0	260.315	0.161	20	30		CCEDRM
CCC[C@H](NS(=O)(=O)c1ccc(C#N)o1)C(=O)[O-]	ZINC000262332988	131212410	/nfs/dbraw/zinc/21/24/10/131212410.db2.gz	VXPDGNTWBBBONN-QMMMGPOBSA-N	-1	0	272.282	0.683	20	30		CCEDRM
CC[C@H](NC(=O)COc1ccc(C#N)cc1OC)C(=O)[O-]	ZINC000262527957	131229536	/nfs/dbraw/zinc/22/95/36/131229536.db2.gz	SBDKCFXFHGQNJN-JTQLQIEISA-N	-1	0	292.291	0.925	20	30		CCEDRM
C#C[C@@H](C)NC(=O)c1cc(F)ccc1[N-]S(C)(=O)=O	ZINC000185361067	397422055	/nfs/dbraw/zinc/42/20/55/397422055.db2.gz	SILJXLKRRPQIDX-MRVPVSSYSA-N	-1	0	284.312	0.949	20	30		CCEDRM
C[C@@H](Oc1ccccc1C#N)C(=O)NC1(c2nnn[n-]2)CC1	ZINC000357069352	144056105	/nfs/dbraw/zinc/05/61/05/144056105.db2.gz	IQVWPRLQGZPUMK-SECBINFHSA-N	-1	0	298.306	0.644	20	30		CCEDRM
Cc1[n-][nH]c(=NC(=O)C(=O)c2cccn2C)c1C#N	ZINC000357235803	144072157	/nfs/dbraw/zinc/07/21/57/144072157.db2.gz	BULCFYILMZLJPI-UHFFFAOYSA-N	-1	0	257.253	0.172	20	30		CCEDRM
Cc1[n-][nH]c(=NC(=O)c2ccnc(C#N)c2)c1C#N	ZINC000357245763	144073212	/nfs/dbraw/zinc/07/32/12/144073212.db2.gz	QURRKEGTIBQRIS-UHFFFAOYSA-N	-1	0	252.237	0.531	20	30		CCEDRM
Cn1ccnc1-c1n[n-]c(=NCc2nc(C#N)cs2)o1	ZINC000357717378	144115812	/nfs/dbraw/zinc/11/58/12/144115812.db2.gz	QQEWAWHRPBFHII-UHFFFAOYSA-N	-1	0	287.308	0.832	20	30		CCEDRM
COC(=O)c1cncc(C(=O)N=c2[n-]n(C)cc2C#N)c1	ZINC000546071091	285896146	/nfs/dbraw/zinc/89/61/46/285896146.db2.gz	LXBHSGITNPSNOU-UHFFFAOYSA-N	-1	0	285.263	0.148	20	30		CCEDRM
C=CCOC[C@H](NC(=O)[C@H](OC)C1CCCC1)C(=O)[O-]	ZINC000659155942	413317656	/nfs/dbraw/zinc/31/76/56/413317656.db2.gz	GYCWOYCIAGNGPT-NWDGAFQWSA-N	-1	0	285.340	0.964	20	30		CCEDRM
C=CCC[C@@H](NC(=O)CCc1cn(C)nn1)C(=O)[O-]	ZINC000659154799	413317069	/nfs/dbraw/zinc/31/70/69/413317069.db2.gz	VOIPWWJDVGGKMC-SNVBAGLBSA-N	-1	0	266.301	0.283	20	30		CCEDRM
C=CCN(C(=O)[C@@H]1CC[C@@H](C(=O)[O-])O1)[C@H](C)COC	ZINC000659192711	413335968	/nfs/dbraw/zinc/33/59/68/413335968.db2.gz	OMMHRGUPZNDXMT-VWYCJHECSA-N	-1	0	271.313	0.668	20	30		CCEDRM
C=CCN(CC=C)C(=O)CN(C)[C@@H](CC)C(=O)[O-]	ZINC000044622714	411630790	/nfs/dbraw/zinc/63/07/90/411630790.db2.gz	QWIXQPJOFOJZPC-NSHDSACASA-N	-1	0	254.330	0.982	20	30		CCEDRM
C=CCN(C(=O)C(=O)N=c1ncn(C(C)C)[n-]1)C1CC1	ZINC000651736321	411926830	/nfs/dbraw/zinc/92/68/30/411926830.db2.gz	VLXXGMRCRWDJRL-UHFFFAOYSA-N	-1	0	277.328	0.396	20	30		CCEDRM
CN(CC(=O)[O-])S(=O)(=O)Cc1ccccc1C#N	ZINC000021014804	171289405	/nfs/dbraw/zinc/28/94/05/171289405.db2.gz	ORRSLHYPWLUMCS-UHFFFAOYSA-N	-1	0	268.294	0.404	20	30		CCEDRM
C#CCNS(=O)(=O)c1cc(C(=O)[O-])ccc1F	ZINC000021949337	171338720	/nfs/dbraw/zinc/33/87/20/171338720.db2.gz	NNDGNYUJUWRRJT-UHFFFAOYSA-N	-1	0	257.242	0.435	20	30		CCEDRM
C=CCOCCCNC(=O)N1CCO[C@H](C(=O)[O-])C1	ZINC000659412655	413484210	/nfs/dbraw/zinc/48/42/10/413484210.db2.gz	LBBWISLRLVCNLB-JTQLQIEISA-N	-1	0	272.301	0.074	20	30		CCEDRM
C=CC[C@@H](CO)NC(=O)NCC1(C(=O)[O-])CCC1	ZINC000659421419	413486279	/nfs/dbraw/zinc/48/62/79/413486279.db2.gz	QZUWOJGZRKXCQX-VIFPVBQESA-N	-1	0	256.302	0.478	20	30		CCEDRM
C[C@H](CC(=O)[O-])NC(=O)COc1ccc(C#N)cc1	ZINC000037412292	173188974	/nfs/dbraw/zinc/18/89/74/173188974.db2.gz	VGYJHPDGSNMZGF-SECBINFHSA-N	-1	0	262.265	0.916	20	30		CCEDRM
C=CCn1cc(CNC(=O)[C@H](C(=O)[O-])C2CCCC2)nn1	ZINC000663058445	414968034	/nfs/dbraw/zinc/96/80/34/414968034.db2.gz	YTZLGKHVFUIPAU-GFCCVEGCSA-N	-1	0	292.339	0.971	20	30		CCEDRM
O=C(N=c1cn[n-]s1)NC[C@]1(CCO)CCOC1	ZINC000330259100	228083159	/nfs/dbraw/zinc/08/31/59/228083159.db2.gz	NBHOXYPPXXMBGS-JTQLQIEISA-N	-1	0	272.330	0.653	20	30		CCEDRM
C=CC[C@H](NS(=O)(=O)c1ccccc1)C(=O)[O-]	ZINC000147095244	544645601	/nfs/dbraw/zinc/64/56/01/544645601.db2.gz	IFYJMNBHVKUESZ-JTQLQIEISA-N	-1	0	255.295	0.994	20	30		CCEDRM
C=CCN(C)C(=O)NCC1(C(=O)[O-])CCOCC1	ZINC000165626267	544723531	/nfs/dbraw/zinc/72/35/31/544723531.db2.gz	UFWVIQDOZCGXSD-UHFFFAOYSA-N	-1	0	256.302	0.695	20	30		CCEDRM
C=CCOCCNS(=O)(=O)c1ccc(C(=O)[O-])s1	ZINC000302356787	544981702	/nfs/dbraw/zinc/98/17/02/544981702.db2.gz	JLUBMQNKJXWMSX-UHFFFAOYSA-N	-1	0	291.350	0.927	20	30		CCEDRM
O=C(NCC1(CO)CCC1)c1cccn2c([O-])nnc12	ZINC000329748505	545026112	/nfs/dbraw/zinc/02/61/12/545026112.db2.gz	GXJLVLQEGBNXFK-UHFFFAOYSA-N	-1	0	276.296	0.902	20	30		CCEDRM
CC(C)[C@@H](C(=O)[N-]S(C)(=O)=O)N1CCCC1=O	ZINC000073086963	260165250	/nfs/dbraw/zinc/16/52/50/260165250.db2.gz	IESBAYNCGTYAJK-VIFPVBQESA-N	-1	0	262.331	0.550	20	30		CCEDRM
CN1CC[C@H](/N=C/c2cc([N+](=O)[O-])ccc2[O-])C1=O	ZINC000150942077	260976088	/nfs/dbraw/zinc/97/60/88/260976088.db2.gz	QMANKNOBGVJAQC-JLATVTFTSA-N	-1	0	263.253	0.950	20	30		CCEDRM
CO[C@@H](CNC(=O)c1cccc(CC#N)c1)C(=O)[O-]	ZINC000263048156	262794124	/nfs/dbraw/zinc/79/41/24/262794124.db2.gz	FTKXFLSNOMKGBG-NSHDSACASA-N	-1	0	262.265	0.582	20	30		CCEDRM
C=CCN=c1[n-]nc(SC[C@H](O)Cn2cccn2)s1	ZINC000414098428	262804555	/nfs/dbraw/zinc/80/45/55/262804555.db2.gz	OZHBFAZPFLGHIU-SECBINFHSA-N	-1	0	297.409	0.908	20	30		CCEDRM
N#C[C@@H]1COCCN1C(=O)c1cc([O-])cc([N+](=O)[O-])c1	ZINC000272453101	263004897	/nfs/dbraw/zinc/00/48/97/263004897.db2.gz	BEMYGBFLUFBYMG-SNVBAGLBSA-N	-1	0	277.236	0.665	20	30		CCEDRM
N#CC1(CS(=O)(=O)NCc2cc(C(=O)[O-])co2)CC1	ZINC000277088910	263039625	/nfs/dbraw/zinc/03/96/25/263039625.db2.gz	KOTJWILGRVALGW-UHFFFAOYSA-N	-1	0	284.293	0.701	20	30		CCEDRM
C#CCN(CC#N)C(=O)[C@@H]([N-]C(=O)C(F)(F)F)C(C)C	ZINC000282119045	263074436	/nfs/dbraw/zinc/07/44/36/263074436.db2.gz	XSLGMPRJDNKJHO-VIFPVBQESA-N	-1	0	289.257	0.675	20	30		CCEDRM
CC[C@](C)(C#N)C(=O)Nc1ccc(-n2nn[n-]c2=O)cc1	ZINC000286410494	263098505	/nfs/dbraw/zinc/09/85/05/263098505.db2.gz	FKHWXIQDFVXNHY-CYBMUJFWSA-N	-1	0	286.295	0.834	20	30		CCEDRM
Cc1cn2c(ncc(/C([O-])=N/C[C@@](C)(O)CO)c2=O)s1	ZINC000330614387	263994922	/nfs/dbraw/zinc/99/49/22/263994922.db2.gz	ARJFASPXCZMSIC-GFCCVEGCSA-N	-1	0	297.336	0.112	20	30		CCEDRM
CN(C)C(=O)CC/N=C(/[O-])Nc1cccn(C)c1=O	ZINC000330874345	264059808	/nfs/dbraw/zinc/05/98/08/264059808.db2.gz	SULYGZHFSKPNPU-UHFFFAOYSA-N	-1	0	266.301	0.190	20	30		CCEDRM
C=CC[C@H](NS(=O)(=O)C[C@H]1CCCO1)C(=O)[O-]	ZINC000161291814	264276548	/nfs/dbraw/zinc/27/65/48/264276548.db2.gz	ISTUXOXQLAUPPG-BDAKNGLRSA-N	-1	0	263.315	0.114	20	30		CCEDRM
C=CCN=c1[n-]nc(S(=O)(=O)CCOC(C)C)s1	ZINC000358733607	266490767	/nfs/dbraw/zinc/49/07/67/266490767.db2.gz	DHWQMOIBRMCURU-UHFFFAOYSA-N	-1	0	291.398	0.757	20	30		CCEDRM
CC1(C(=O)N2CC(n3cc(C#N)c(=O)[n-]c3=O)C2)CC1	ZINC000530270190	266962155	/nfs/dbraw/zinc/96/21/55/266962155.db2.gz	ABQQRNMCDSRMID-UHFFFAOYSA-N	-1	0	274.280	0.004	20	30		CCEDRM
C=CCC1(C(=O)N2CCO[C@@H](c3nnn[n-]3)C2)CCC1	ZINC000370104415	267290908	/nfs/dbraw/zinc/29/09/08/267290908.db2.gz	VFBULAQCVBOORP-SNVBAGLBSA-N	-1	0	277.328	0.846	20	30		CCEDRM
C[C@H](CC(=O)[O-])NS(=O)(=O)c1ccc(C#N)cc1F	ZINC000520195488	267813868	/nfs/dbraw/zinc/81/38/68/267813868.db2.gz	YKSOCPUWQXJUOO-SSDOTTSWSA-N	-1	0	286.284	0.839	20	30		CCEDRM
C=CCCC(=O)N(CCNC(C)=O)[C@H](C)C(=O)[O-]	ZINC000262263673	277826268	/nfs/dbraw/zinc/82/62/68/277826268.db2.gz	SQELRKWCIHWEFK-SECBINFHSA-N	-1	0	256.302	0.390	20	30		CCEDRM
C[C@H]1[C@@H](C(=O)Nc2nc(C#N)c(C#N)[n-]2)C1(F)F	ZINC000359826328	300663285	/nfs/dbraw/zinc/66/32/85/300663285.db2.gz	JRLRYVFGBJWDAN-FFWSUHOLSA-N	-1	0	251.196	0.993	20	30		CCEDRM
N#Cc1cc(N2CC(C(=O)[O-])C2)cc(N)c1[N+](=O)[O-]	ZINC000263558442	303184557	/nfs/dbraw/zinc/18/45/57/303184557.db2.gz	PSFSEXOJQFCLRT-UHFFFAOYSA-N	-1	0	262.225	0.569	20	30		CCEDRM
N#Cc1ncccc1S(=O)(=O)N1CCCC[C@@H]1C(=O)[O-]	ZINC000236442646	303217833	/nfs/dbraw/zinc/21/78/33/303217833.db2.gz	MOHJMTBLMATURT-SNVBAGLBSA-N	-1	0	295.320	0.581	20	30		CCEDRM
N#C[C@@H]1CN(C(=O)c2ccc([O-])c([N+](=O)[O-])c2)CCO1	ZINC000164552688	327721813	/nfs/dbraw/zinc/72/18/13/327721813.db2.gz	HKCJOCDBOGUINB-SECBINFHSA-N	-1	0	277.236	0.665	20	30		CCEDRM
N#CCCCS(=O)(=O)N[C@H](CC(F)(F)F)C(=O)[O-]	ZINC000275191665	328214355	/nfs/dbraw/zinc/21/43/55/328214355.db2.gz	FSDLNKXXEIIZJU-ZCFIWIBFSA-N	-1	0	288.247	0.615	20	30		CCEDRM
COC(=O)NCC(=O)[N-]S(=O)(=O)c1ccccc1F	ZINC000048519213	328309519	/nfs/dbraw/zinc/30/95/19/328309519.db2.gz	PSVLVGCZQZWKCI-UHFFFAOYSA-N	-1	0	290.272	0.827	20	30		CCEDRM
N#CC1(CS(=O)(=O)N[C@H](CC2CCC2)C(=O)[O-])CC1	ZINC000530472472	326815050	/nfs/dbraw/zinc/81/50/50/326815050.db2.gz	DUBXYLWITZJIHP-SNVBAGLBSA-N	-1	0	286.353	0.853	20	30		CCEDRM
C=CCOC[C@H](NC(=O)N[C@@H]1CC[C@@H](OC)C1)C(=O)[O-]	ZINC000584157223	327052217	/nfs/dbraw/zinc/05/22/17/327052217.db2.gz	BVCARUIERXAKOH-MXWKQRLJSA-N	-1	0	286.328	0.509	20	30		CCEDRM
C=CCOCC(=O)N(CC(=O)[O-])C1CCOCC1	ZINC000569340340	327098510	/nfs/dbraw/zinc/09/85/10/327098510.db2.gz	HZKJURIINHWPDI-UHFFFAOYSA-N	-1	0	257.286	0.281	20	30		CCEDRM
C[C@@H](C(=O)[O-])C1CN(S(=O)(=O)c2ccc(C#N)cc2)C1	ZINC000165172197	327180353	/nfs/dbraw/zinc/18/03/53/327180353.db2.gz	QJAKLFNLJPXBOA-SECBINFHSA-N	-1	0	294.332	0.899	20	30		CCEDRM
Cc1cc([N-]S(=O)(=O)c2ccn(C)n2)nn1CCC#N	ZINC000560413013	327306036	/nfs/dbraw/zinc/30/60/36/327306036.db2.gz	HLHRNBBEJDAQBD-UHFFFAOYSA-N	-1	0	294.340	0.640	20	30		CCEDRM
N#CC1(C(=O)NCCc2nc(=O)o[n-]2)CCCCC1	ZINC000280073659	327571913	/nfs/dbraw/zinc/57/19/13/327571913.db2.gz	JWDVNYZQNWMUFC-UHFFFAOYSA-N	-1	0	264.285	0.496	20	30		CCEDRM
CC(C)[C@H](CNS(=O)(=O)CCCCC#N)C(=O)[O-]	ZINC000580386499	328801045	/nfs/dbraw/zinc/80/10/45/328801045.db2.gz	VPDZGMQQPSSULV-JTQLQIEISA-N	-1	0	276.358	0.956	20	30		CCEDRM
CC#CC[C@H](NS(=O)(=O)N(CC)CC1CC1)C(=O)[O-]	ZINC000582805358	329226705	/nfs/dbraw/zinc/22/67/05/329226705.db2.gz	LPPPIYPKEXAGMR-NSHDSACASA-N	-1	0	288.369	0.419	20	30		CCEDRM
C=C[C@H](CCC(=O)[O-])NS(=O)(=O)c1ccc(C#N)nc1	ZINC000583737496	329476418	/nfs/dbraw/zinc/47/64/18/329476418.db2.gz	CRYFNHGGCKEDTB-SECBINFHSA-N	-1	0	295.320	0.651	20	30		CCEDRM
C=CCC[C@H](NS(=O)(=O)C[C@H]1CCOC1)C(=O)[O-]	ZINC000572337297	329984891	/nfs/dbraw/zinc/98/48/91/329984891.db2.gz	OZPBBBWPBORMFM-UWVGGRQHSA-N	-1	0	277.342	0.362	20	30		CCEDRM
C=CCNC(=O)c1ccc(N(C)[C@H](C)C(=O)[O-])nc1	ZINC000262068731	329999355	/nfs/dbraw/zinc/99/93/55/329999355.db2.gz	BTSKIGXJOKHSSV-SECBINFHSA-N	-1	0	263.297	0.907	20	30		CCEDRM
N#CC1(CS(=O)(=O)NCCC(=O)[O-])CCCC1	ZINC000262428306	330010037	/nfs/dbraw/zinc/01/00/37/330010037.db2.gz	NZRHSKMOKJJWMG-UHFFFAOYSA-N	-1	0	260.315	0.464	20	30		CCEDRM
N#CC1(CS(=O)(=O)N2CCC[C@H](C(=O)[O-])C2)CC1	ZINC000262375524	330011519	/nfs/dbraw/zinc/01/15/19/330011519.db2.gz	GBVWNXPLMAHKER-VIFPVBQESA-N	-1	0	272.326	0.417	20	30		CCEDRM
C=CCOC[C@@H](NC(=O)C[C@@H](C)SC)C(=O)[O-]	ZINC000262996430	330038140	/nfs/dbraw/zinc/03/81/40/330038140.db2.gz	LWKJDRWXLXLESO-RKDXNWHRSA-N	-1	0	261.343	0.900	20	30		CCEDRM
C=CCOC[C@H](NC(=O)CO[C@@H](C)CC)C(=O)[O-]	ZINC000263011121	330038851	/nfs/dbraw/zinc/03/88/51/330038851.db2.gz	NCFBVGKCNAPBJR-UWVGGRQHSA-N	-1	0	259.302	0.574	20	30		CCEDRM
C#C[C@@H](NC(=O)NCCCC(=O)[O-])[C@@H]1CCCO1	ZINC000263333482	330052528	/nfs/dbraw/zinc/05/25/28/330052528.db2.gz	CWIWGAPUUFIUHC-ZJUUUORDSA-N	-1	0	254.286	0.331	20	30		CCEDRM
C[C@@H](C#N)CN(C)S(=O)(=O)N1CC[C@](C)(C(=O)[O-])C1	ZINC000263463470	330057037	/nfs/dbraw/zinc/05/70/37/330057037.db2.gz	FKCACYGFARMSFF-ONGXEEELSA-N	-1	0	289.357	0.119	20	30		CCEDRM
CCCN(CC(=O)[O-])S(=O)(=O)N(CC)C[C@H](C)C#N	ZINC000263478793	330057316	/nfs/dbraw/zinc/05/73/16/330057316.db2.gz	KCMIOWNYXSADFI-SNVBAGLBSA-N	-1	0	291.373	0.509	20	30		CCEDRM
CCC[C@@H](NS(=O)(=O)N(CC)C[C@H](C)C#N)C(=O)[O-]	ZINC000263516130	330058562	/nfs/dbraw/zinc/05/85/62/330058562.db2.gz	ZYUVVVFXPDMFLF-NXEZZACHSA-N	-1	0	291.373	0.556	20	30		CCEDRM
CCN(C[C@H](C)C#N)S(=O)(=O)N(C)[C@@H](C)C(=O)[O-]	ZINC000263539987	330059168	/nfs/dbraw/zinc/05/91/68/330059168.db2.gz	CAUZTFDQKQACDL-BDAKNGLRSA-N	-1	0	277.346	0.118	20	30		CCEDRM
C=CC[C@H](C)NS(=O)(=O)c1n[nH]cc1C(=O)[O-]	ZINC000162561637	330069891	/nfs/dbraw/zinc/06/98/91/330069891.db2.gz	WLKILNBQJGEICW-LURJTMIESA-N	-1	0	259.287	0.351	20	30		CCEDRM
C=CCCOCCNC(=O)[C@@H](C)O[C@@H](C)C(=O)[O-]	ZINC000421808605	330084932	/nfs/dbraw/zinc/08/49/32/330084932.db2.gz	SDVRAMWRZKIOHU-ZJUUUORDSA-N	-1	0	259.302	0.574	20	30		CCEDRM
CN(CCC#N)S(=O)(=O)NCCC(C)(C)C(=O)[O-]	ZINC000424393383	330349960	/nfs/dbraw/zinc/34/99/60/330349960.db2.gz	RMSGKKKRPFBIBE-UHFFFAOYSA-N	-1	0	277.346	0.167	20	30		CCEDRM
C=C[C@@H]1OCC[C@H]1CNC(=O)NCCCC(=O)[O-]	ZINC000424400945	330350213	/nfs/dbraw/zinc/35/02/13/330350213.db2.gz	WTJANIHWZBVKQL-UWVGGRQHSA-N	-1	0	256.302	0.742	20	30		CCEDRM
CC#CCCNC(=O)C(=O)NCC(CC)(CC)C(=O)[O-]	ZINC000424487693	330356438	/nfs/dbraw/zinc/35/64/38/330356438.db2.gz	IJSRRSVUYCINJK-UHFFFAOYSA-N	-1	0	282.340	0.523	20	30		CCEDRM
N#CCNC(=O)CNC(=O)c1ccc([O-])c(Cl)c1	ZINC000436716974	330683383	/nfs/dbraw/zinc/68/33/83/330683383.db2.gz	UWLRZKWAVYKZJH-UHFFFAOYSA-N	-1	0	267.672	0.415	20	30		CCEDRM
COc1ccc(=NC(=O)N(C)CC(C)(C)C#N)[n-]n1	ZINC000455248490	331163151	/nfs/dbraw/zinc/16/31/51/331163151.db2.gz	KKEQZIPLBKKSRT-UHFFFAOYSA-N	-1	0	263.301	0.921	20	30		CCEDRM
C=CCN(CCOC)C(=O)N=c1nc2n([n-]1)CCCC2	ZINC000456017336	331182488	/nfs/dbraw/zinc/18/24/88/331182488.db2.gz	QINBHLCEUXBAAS-UHFFFAOYSA-N	-1	0	279.344	0.703	20	30		CCEDRM
COCCN(CC#N)C(=O)c1cc([N+](=O)[O-])ccc1[O-]	ZINC000457202457	331215535	/nfs/dbraw/zinc/21/55/35/331215535.db2.gz	JFNLUCIIKNQYHN-UHFFFAOYSA-N	-1	0	279.252	0.913	20	30		CCEDRM
CCC(CC)(CNC(=O)N1CCO[C@H](C#N)C1)C(=O)[O-]	ZINC000165183504	331306018	/nfs/dbraw/zinc/30/60/18/331306018.db2.gz	AOJDGZYLRDACGL-SNVBAGLBSA-N	-1	0	283.328	0.811	20	30		CCEDRM
C=CCN=c1[n-]nc(SC[C@@H]2CNC(=O)O2)s1	ZINC000490578293	332092590	/nfs/dbraw/zinc/09/25/90/332092590.db2.gz	CSLYPKLLZMSBJM-LURJTMIESA-N	-1	0	272.355	0.758	20	30		CCEDRM
C#C[C@H]1COCCN1C(=O)N=c1[n-]nc(CC)s1	ZINC000491425561	332208932	/nfs/dbraw/zinc/20/89/32/332208932.db2.gz	AOHVGASWCILKER-QMMMGPOBSA-N	-1	0	266.326	0.388	20	30		CCEDRM
C#CCn1ccnc1C=NN=c1ccc(Cl)n[n-]1	ZINC000491669116	332276510	/nfs/dbraw/zinc/27/65/10/332276510.db2.gz	KRXPDJLQJQIISD-UHFFFAOYSA-N	-1	0	260.688	0.828	20	30		CCEDRM
C#C[C@@H](CCC)NC(=O)C(=O)N=c1ncn(C(C)(C)C)[n-]1	ZINC000491748665	332325762	/nfs/dbraw/zinc/32/57/62/332325762.db2.gz	YHMCMOHTQMVWNG-JTQLQIEISA-N	-1	0	291.355	0.312	20	30		CCEDRM
C#C[C@H](C)N(C)C(=O)C(=O)N=c1nc(C(C)(C)C)[n-]s1	ZINC000491752673	332328360	/nfs/dbraw/zinc/32/83/60/332328360.db2.gz	YZTAFSMVBXLRMU-QMMMGPOBSA-N	-1	0	294.380	0.676	20	30		CCEDRM
N#CCCCS(=O)(=O)[N-]C(=O)/C=C\C1CCOCC1	ZINC000492347086	332393662	/nfs/dbraw/zinc/39/36/62/332393662.db2.gz	WSTHQSCBLOHKOK-ARJAWSKDSA-N	-1	0	286.353	0.719	20	30		CCEDRM
C=CCN(C)C(=O)C(=O)N1CC[C@H](C)[C@@H](C(=O)[O-])C1	ZINC000575749047	335111842	/nfs/dbraw/zinc/11/18/42/335111842.db2.gz	KOYBQSUGOCTUDV-UWVGGRQHSA-N	-1	0	268.313	0.200	20	30		CCEDRM
C=C[C@@](C)(CCOC)C(=O)NCc1n[n-]c(=N)o1	ZINC000552159352	334296825	/nfs/dbraw/zinc/29/68/25/334296825.db2.gz	JFCNOPFAGMFXKN-NSHDSACASA-N	-1	0	254.290	0.327	20	30		CCEDRM
C#CCN(CC#N)S(=O)(=O)c1cc(C(=O)[O-])ccc1F	ZINC000312162174	333077865	/nfs/dbraw/zinc/07/78/65/333077865.db2.gz	MWXGMCNTGLQTLW-UHFFFAOYSA-N	-1	0	296.279	0.671	20	30		CCEDRM
CO[C@@H](C)c1nc(=NC(=O)NC[C@@H](C)C#N)s[n-]1	ZINC000521118371	333112013	/nfs/dbraw/zinc/11/20/13/333112013.db2.gz	RDQXNYACRFGZLL-BQBZGAKWSA-N	-1	0	269.330	0.949	20	30		CCEDRM
N#CC1(CS(=O)(=O)NC2(C(=O)[O-])CCC2)CC1	ZINC000567589192	333238248	/nfs/dbraw/zinc/23/82/48/333238248.db2.gz	AGLUMXZIKAPQTN-UHFFFAOYSA-N	-1	0	258.299	0.217	20	30		CCEDRM
C#CCNC(=O)c1c(C)[n-]n(-c2nc(C)cc(C)n2)c1=O	ZINC000128568083	333687492	/nfs/dbraw/zinc/68/74/92/333687492.db2.gz	VSDSAHXFXQBFIW-LLVKDONJSA-N	-1	0	285.307	0.182	20	30		CCEDRM
CCOC(=O)c1cc(=NC(=O)C2(C#N)CCOCC2)[nH][n-]1	ZINC000541904329	333798203	/nfs/dbraw/zinc/79/82/03/333798203.db2.gz	FAGBHPYXWIVFFV-UHFFFAOYSA-N	-1	0	292.295	0.267	20	30		CCEDRM
C=C[C@@](C)(CC)C(=O)Nc1n[n-]c(S(C)(=O)=O)n1	ZINC000134995142	334111311	/nfs/dbraw/zinc/11/13/11/334111311.db2.gz	MTRBFWNGBQWBFP-JTQLQIEISA-N	-1	0	272.330	0.749	20	30		CCEDRM
C=CCN(CC(=O)[O-])S(=O)(=O)N(CC)CC1CC1	ZINC000548561854	334162677	/nfs/dbraw/zinc/16/26/77/334162677.db2.gz	AMVWDZGFYBXOHK-UHFFFAOYSA-N	-1	0	276.358	0.536	20	30		CCEDRM
C=CCCS(=O)(=O)N[C@@H](C(=O)[O-])[C@@H](C)C1CC1	ZINC000548867643	334177680	/nfs/dbraw/zinc/17/76/80/334177680.db2.gz	QVBOJWNIMCPZKI-WCBMZHEXSA-N	-1	0	261.343	0.981	20	30		CCEDRM
N#C[C@@H]1N(C(=O)c2n[nH]c(=O)[n-]2)CCC[C@@]12CCCCO2	ZINC000565427177	334562809	/nfs/dbraw/zinc/56/28/09/334562809.db2.gz	ILOLRLDOJMRRCC-ZANVPECISA-N	-1	0	291.311	0.578	20	30		CCEDRM
CC#CC[C@@H](NS(=O)(=O)C[C@H](C)COCC)C(=O)[O-]	ZINC000576520543	335214210	/nfs/dbraw/zinc/21/42/10/335214210.db2.gz	HNMVKKFEMGEPRN-GHMZBOCLSA-N	-1	0	291.369	0.445	20	30		CCEDRM
C=CCOC[C@H](NC(=O)Nc1cc(C)nn1C)C(=O)[O-]	ZINC000576875149	335258672	/nfs/dbraw/zinc/25/86/72/335258672.db2.gz	IJSVMZUQTSUZRQ-VIFPVBQESA-N	-1	0	282.300	0.506	20	30		CCEDRM
C[C@H]1CCCC[C@@H]1NC(=O)Cn1c(=O)[n-]cc(C#N)c1=O	ZINC000577396590	335348111	/nfs/dbraw/zinc/34/81/11/335348111.db2.gz	ZSDWCGDQUGWWCO-ONGXEEELSA-N	-1	0	290.323	0.103	20	30		CCEDRM
C=CCOC[C@H](NC(=O)NCc1nccs1)C(=O)[O-]	ZINC000579822289	335893637	/nfs/dbraw/zinc/89/36/37/335893637.db2.gz	KOYPGGWEHIQIDN-QMMMGPOBSA-N	-1	0	285.325	0.598	20	30		CCEDRM
C=CCOC[C@@H](NC(=O)c1ccnn1CCC)C(=O)[O-]	ZINC000581083583	336006600	/nfs/dbraw/zinc/00/66/00/336006600.db2.gz	VAZOJFBRGXADKB-SNVBAGLBSA-N	-1	0	281.312	0.679	20	30		CCEDRM
C[C@H]1CCN(S(=O)(=O)c2cncc(C#N)c2)[C@H]1C(=O)[O-]	ZINC000380890743	336038572	/nfs/dbraw/zinc/03/85/72/336038572.db2.gz	ZGSSDXZERBNNIS-GZMMTYOYSA-N	-1	0	295.320	0.437	20	30		CCEDRM
Cc1c(S(=O)(=O)[N-]c2ccc(C#N)c(C)n2)cnn1C	ZINC000451089741	533929568	/nfs/dbraw/zinc/92/95/68/533929568.db2.gz	NHFNKPFXAQLIAG-UHFFFAOYSA-N	-1	0	291.336	0.526	20	30		CCEDRM
CCn1cc(S(=O)(=O)NC[C@@H](C)C#N)cc1C(=O)[O-]	ZINC000054156629	523449386	/nfs/dbraw/zinc/44/93/86/523449386.db2.gz	SHVIURIKAZSWDI-QMMMGPOBSA-N	-1	0	285.325	0.644	20	30		CCEDRM
C=CC[C@@H](C)NC(=O)C(=O)N=c1ncn(C(C)(C)C)[n-]1	ZINC000344494155	527017946	/nfs/dbraw/zinc/01/79/46/527017946.db2.gz	YZHXSDLBZOTXRN-SECBINFHSA-N	-1	0	279.344	0.474	20	30		CCEDRM
CCCC(=O)N1CSC[C@H]1C(=O)NCc1n[nH]c(=O)[n-]1	ZINC000330057100	527917151	/nfs/dbraw/zinc/91/71/51/527917151.db2.gz	WXHKPKSCOZSFKO-ZETCQYMHSA-N	-1	0	299.356	0.668	20	30		CCEDRM
C=CCCOCC(=O)N[C@H](CCC)c1nnn[n-]1	ZINC000675145439	545322583	/nfs/dbraw/zinc/32/25/83/545322583.db2.gz	SETWUSMPHRZPGJ-SECBINFHSA-N	-1	0	253.306	0.750	20	30		CCEDRM
C=C(C)COCCNC(=O)N(C)[C@H](COCC)C(=O)[O-]	ZINC000684739597	545732700	/nfs/dbraw/zinc/73/27/00/545732700.db2.gz	FELNZBGPQYHKRY-LLVKDONJSA-N	-1	0	288.344	0.710	20	30		CCEDRM
C=CCNC(=O)C(C#N)=C([O-])c1ccnn1CC(F)F	ZINC000789405358	581147765	/nfs/dbraw/zinc/14/77/65/581147765.db2.gz	XNNNPENHMSISIG-QMMMGPOBSA-N	-1	0	282.250	0.773	20	30		CCEDRM
N#CC1(CS(=O)(=O)[N-]C(=O)C2=COCC2)CCCC1	ZINC000779318623	581180513	/nfs/dbraw/zinc/18/05/13/581180513.db2.gz	RCDUXAMXDGVOPY-UHFFFAOYSA-N	-1	0	284.337	0.821	20	30		CCEDRM
C[C@H](NC(=O)[O-])[C@@H]1CCCCN1CC(=O)NCC#N	ZINC000739008198	581123689	/nfs/dbraw/zinc/12/36/89/581123689.db2.gz	IJZGEYDNYYQWPI-UWVGGRQHSA-N	-1	0	268.317	0.137	20	30		CCEDRM
N#CCN(CC(=O)[O-])C(=O)/C=C/C1CCOCC1	ZINC000739078040	581172204	/nfs/dbraw/zinc/17/22/04/581172204.db2.gz	XDWMQZNWHRBGAI-OWOJBTEDSA-N	-1	0	252.270	0.406	20	30		CCEDRM
N#Cc1ccccc1N1CCN(C(=O)[C@H]2C[C@@H]2C(=O)[O-])CC1	ZINC000739147069	581183759	/nfs/dbraw/zinc/18/37/59/581183759.db2.gz	PWWOTCVHJNXNCK-STQMWFEESA-N	-1	0	299.330	0.928	20	30		CCEDRM
C[C@@H]1CN=C(NN=Cc2cc([O-])ccc2[N+](=O)[O-])N1	ZINC000779803324	581207455	/nfs/dbraw/zinc/20/74/55/581207455.db2.gz	OVNKVRCNYBFJFD-SSDOTTSWSA-N	-1	0	263.257	0.572	20	30		CCEDRM
COc1ccc(C=NNc2nnc(C)c(=O)[n-]2)cn1	ZINC000780198290	581222073	/nfs/dbraw/zinc/22/20/73/581222073.db2.gz	YGXYKGCNPLKTOT-UHFFFAOYSA-N	-1	0	260.257	0.735	20	30		CCEDRM
C#CCCCCCC(=O)[N-]S(=O)(=O)c1cnccn1	ZINC000780430383	581228201	/nfs/dbraw/zinc/22/82/01/581228201.db2.gz	BKXBDDGSVYKARJ-UHFFFAOYSA-N	-1	0	281.337	0.865	20	30		CCEDRM
N#CCN1CCC(Nc2cccc(-c3nn[nH]n3)n2)CC1	ZINC000737695194	581229673	/nfs/dbraw/zinc/22/96/73/581229673.db2.gz	KMZHPGQIERWUQQ-UHFFFAOYSA-N	-1	0	284.327	0.662	20	30		CCEDRM
C=CCCCC(=O)[N-]S(=O)(=O)[C@@H]1CCCOC1	ZINC000780607502	581236110	/nfs/dbraw/zinc/23/61/10/581236110.db2.gz	DESYEPSRMSNCOH-SNVBAGLBSA-N	-1	0	261.343	0.968	20	30		CCEDRM
COCCO[N-]C(=O)[C@@H](O)c1ccc(C#N)cc1	ZINC000780959196	581252573	/nfs/dbraw/zinc/25/25/73/581252573.db2.gz	LQDZRNCQYIAKRX-NSHDSACASA-N	-1	0	250.254	0.286	20	30		CCEDRM
N#Cc1ccc(OCC(=O)NC2(C(=O)[O-])CC2)cc1	ZINC000203656131	581270238	/nfs/dbraw/zinc/27/02/38/581270238.db2.gz	BVGURGQHAXRASC-UHFFFAOYSA-N	-1	0	260.249	0.670	20	30		CCEDRM
C=CCCO[C@H](C)C(=O)[N-]S(=O)(=O)C[C@@H]1CCCO1	ZINC000781515071	581271036	/nfs/dbraw/zinc/27/10/36/581271036.db2.gz	RARLTZQNSJUEJN-MNOVXSKESA-N	-1	0	291.369	0.593	20	30		CCEDRM
C=CCS(=O)(=O)[N-]C(=O)c1cccc(-c2nc[nH]n2)c1	ZINC000793178960	581287021	/nfs/dbraw/zinc/28/70/21/581287021.db2.gz	QBNLHNWXOHTOOY-UHFFFAOYSA-N	-1	0	292.320	0.717	20	30		CCEDRM
C[C@H]1CC(=O)CC[C@H]1C(=O)[N-]S(=O)(=O)CC1(C#N)CC1	ZINC000793194584	581287766	/nfs/dbraw/zinc/28/77/66/581287766.db2.gz	QLQGHPWIGXKAPE-GXSJLCMTSA-N	-1	0	298.364	0.741	20	30		CCEDRM
N#CCCCS(=O)(=O)N1CCC[C@@H](CNC(=O)[O-])C1	ZINC000740306691	581323164	/nfs/dbraw/zinc/32/31/64/581323164.db2.gz	JLKHKMVKYWOWEH-JTQLQIEISA-N	-1	0	289.357	0.600	20	30		CCEDRM
N#CCc1ccc(NC(=O)[C@@H]2C[C@@H](O)CN2C(=O)[O-])cc1	ZINC000740309799	581323685	/nfs/dbraw/zinc/32/36/85/581323685.db2.gz	BQQWWWPQAKPNBU-NEPJUHHUSA-N	-1	0	289.291	0.804	20	30		CCEDRM
N#Cc1ccc(C(=O)NCCN(C(=O)[O-])C2CC2)nc1	ZINC000740313185	581323968	/nfs/dbraw/zinc/32/39/68/581323968.db2.gz	KEMVSZMBMRIBRT-UHFFFAOYSA-N	-1	0	274.280	0.825	20	30		CCEDRM
C#CCN1CCN(C(=O)[C@H](NC(=O)[O-])[C@H](C)CC)CC1	ZINC000738460739	581333272	/nfs/dbraw/zinc/33/32/72/581333272.db2.gz	NGUCNAFAJKVFPA-VXGBXAGGSA-N	-1	0	281.356	0.446	20	30		CCEDRM
C#Cc1ccc(C(=O)N2CCN(C(=O)[O-])[C@@H](C)C2)nc1	ZINC000738466815	581341193	/nfs/dbraw/zinc/34/11/93/581341193.db2.gz	ILFWTSMCFBGSSG-JTQLQIEISA-N	-1	0	273.292	0.887	20	30		CCEDRM
C[C@H]1COC(=O)C1=NN=c1ccc(-n2ccnc2)n[n-]1	ZINC000794940714	581391422	/nfs/dbraw/zinc/39/14/22/581391422.db2.gz	ZIXFHQKXTIHPLL-QMMMGPOBSA-N	-1	0	272.268	0.623	20	30		CCEDRM
N#CCCn1ccc([N-]S(=O)(=O)C[C@H]2CCCOC2)n1	ZINC000795329676	581404080	/nfs/dbraw/zinc/40/40/80/581404080.db2.gz	VIWGIBGLPQBEJD-NSHDSACASA-N	-1	0	298.368	0.965	20	30		CCEDRM
N#Cc1ccc(C(=O)[N-]S(=O)(=O)c2ccccn2)o1	ZINC000796894251	581454056	/nfs/dbraw/zinc/45/40/56/581454056.db2.gz	XHUCPJIBMJCKFM-UHFFFAOYSA-N	-1	0	277.261	0.665	20	30		CCEDRM
C=CCC(C)(C)C(=O)[N-]S(=O)(=O)c1cnnn1C	ZINC000797127137	581459785	/nfs/dbraw/zinc/45/97/85/581459785.db2.gz	JOFJNMOAKWMATL-UHFFFAOYSA-N	-1	0	272.330	0.222	20	30		CCEDRM
CC#CCS(=O)(=O)[N-]C(=O)c1ncccc1Cl	ZINC000797198489	581461766	/nfs/dbraw/zinc/46/17/66/581461766.db2.gz	KFHJEKVGJZHKDC-UHFFFAOYSA-N	-1	0	272.713	0.818	20	30		CCEDRM
N#Cc1ccc(OCCn2nc(C(=O)[O-])ccc2=O)cc1	ZINC000739129625	581508883	/nfs/dbraw/zinc/50/88/83/581508883.db2.gz	YLWAWDLDKAKFDA-UHFFFAOYSA-N	-1	0	285.259	0.892	20	30		CCEDRM
CN1C(=O)CN(N=Cc2cc(F)c([O-])c(F)c2)C1=O	ZINC000768380721	581510835	/nfs/dbraw/zinc/51/08/35/581510835.db2.gz	UGXIZANNQYDZAP-UHFFFAOYSA-N	-1	0	269.207	0.898	20	30		CCEDRM
C[C@H]1CN(CC(=O)N[C@@](C)(C#N)C2CC2)CCN1C(=O)[O-]	ZINC000739176587	581517266	/nfs/dbraw/zinc/51/72/66/581517266.db2.gz	UJECDLHMGNTJML-HZMBPMFUSA-N	-1	0	294.355	0.479	20	30		CCEDRM
CC[C@](C)(C#N)NC(=O)CN(C[C@H]1CCCO1)C(=O)[O-]	ZINC000739212855	581523892	/nfs/dbraw/zinc/52/38/92/581523892.db2.gz	GIHZFWZVTRGCCD-ZWNOBZJWSA-N	-1	0	283.328	0.954	20	30		CCEDRM
CCN(CC(=O)[C@H](C#N)C(=O)NC(C)C)C(=O)[O-]	ZINC000739384413	581544105	/nfs/dbraw/zinc/54/41/05/581544105.db2.gz	FXPNBKHZDHHYIU-QMMMGPOBSA-N	-1	0	255.274	0.220	20	30		CCEDRM
C=CCNC(=O)C(C#N)=C([O-])c1cn2ccccc2n1	ZINC000729070176	581546714	/nfs/dbraw/zinc/54/67/14/581546714.db2.gz	QXISJEJAKWCJIS-JTQLQIEISA-N	-1	0	268.276	0.959	20	30		CCEDRM
CCN(C[C@@H](C)C#N)C(=O)CN(CCOC)C(=O)[O-]	ZINC000739403800	581547770	/nfs/dbraw/zinc/54/77/70/581547770.db2.gz	NFJXZQZGZAJVGY-JTQLQIEISA-N	-1	0	271.317	0.621	20	30		CCEDRM
CCN(CCC#N)C(=O)CN1CC[C@@H](NC(=O)[O-])C1	ZINC000739414663	581549329	/nfs/dbraw/zinc/54/93/29/581549329.db2.gz	ITYUFGDGQNIZEB-SNVBAGLBSA-N	-1	0	268.317	0.090	20	30		CCEDRM
O=c1cn[nH]c(=S)n1N=Cc1cc([O-])ccc1[N+](=O)[O-]	ZINC000766482474	581568504	/nfs/dbraw/zinc/56/85/04/581568504.db2.gz	MXXGNBOJMOIWNK-UHFFFAOYSA-N	-1	0	293.264	0.423	20	30		CCEDRM
CN(CCNC(=O)Nc1ccn(CCC#N)n1)C(=O)[O-]	ZINC000739696837	581595928	/nfs/dbraw/zinc/59/59/28/581595928.db2.gz	CJFHVVVPQYKXPE-UHFFFAOYSA-N	-1	0	280.288	0.528	20	30		CCEDRM
COC(=O)CN(CC#N)C(=O)[C@@H]1CCC[C@H](NC(=O)[O-])C1	ZINC000739762467	581612209	/nfs/dbraw/zinc/61/22/09/581612209.db2.gz	PZKMIBDUTPEIJM-ZJUUUORDSA-N	-1	0	297.311	0.338	20	30		CCEDRM
C=CCOCC(=O)[N-]S(=O)(=O)N(C)Cc1ccccc1	ZINC000729890666	581619325	/nfs/dbraw/zinc/61/93/25/581619325.db2.gz	NSPKVLRVDJENQI-UHFFFAOYSA-N	-1	0	298.364	0.682	20	30		CCEDRM
COCCN(CC(=O)N[C@@H](C#N)CC(C)C)C(=O)[O-]	ZINC000739822071	581624738	/nfs/dbraw/zinc/62/47/38/581624738.db2.gz	IKQTZJZFORJNMJ-SNVBAGLBSA-N	-1	0	271.317	0.667	20	30		CCEDRM
COc1ccccc1[C@H](NC(=O)[O-])C(=O)NCC#N	ZINC000739979897	581640776	/nfs/dbraw/zinc/64/07/76/581640776.db2.gz	TVLJGWHURXYEBT-JTQLQIEISA-N	-1	0	263.253	0.644	20	30		CCEDRM
C[S@@](=O)c1ccc(C(=O)N(CC#N)CC(=O)[O-])cc1	ZINC000738180515	581641296	/nfs/dbraw/zinc/64/12/96/581641296.db2.gz	WGOVQWXMGQHOGA-LJQANCHMSA-N	-1	0	280.305	0.474	20	30		CCEDRM
C=C(C)C[C@@H](C)C(=O)[N-]S(=O)(=O)c1ccnn1C	ZINC000768027862	581641292	/nfs/dbraw/zinc/64/12/92/581641292.db2.gz	CYKROYYTDHBIBY-SECBINFHSA-N	-1	0	271.342	0.827	20	30		CCEDRM
CC#CCCCC(=O)[N-]S(=O)(=O)c1ccnn1C	ZINC000768029256	581641617	/nfs/dbraw/zinc/64/16/17/581641617.db2.gz	FLYWEHUPYSXFTC-UHFFFAOYSA-N	-1	0	269.326	0.419	20	30		CCEDRM
C#Cc1ccc(C(=O)N(C)C[C@@H](C)c2nnn[n-]2)nc1	ZINC000735388216	581642684	/nfs/dbraw/zinc/64/26/84/581642684.db2.gz	UERRYUVKZLUHLY-SECBINFHSA-N	-1	0	270.296	0.452	20	30		CCEDRM
Cc1nnc(NN=Cc2cnc3ncccn23)[n-]c1=O	ZINC000755525307	581643749	/nfs/dbraw/zinc/64/37/49/581643749.db2.gz	UZUPNUJFBMLLBE-UHFFFAOYSA-N	-1	0	270.256	0.374	20	30		CCEDRM
Cc1cc(C#N)ccc1S(=O)(=O)NCCN(C)C(=O)[O-]	ZINC000740052153	581647963	/nfs/dbraw/zinc/64/79/63/581647963.db2.gz	KRLMPWZHMJMJEV-UHFFFAOYSA-N	-1	0	297.336	0.755	20	30		CCEDRM
N#C[C@@H](C(=O)[C@@H]1CCN(C(=O)[O-])C1)C(=O)N1CCCC1	ZINC000740303949	581661804	/nfs/dbraw/zinc/66/18/04/581661804.db2.gz	NWGDRWFGXXMEDL-ZJUUUORDSA-N	-1	0	279.296	0.318	20	30		CCEDRM
N#C[C@H]1COCCN1C(=O)C1CCN(C(=O)[O-])CC1	ZINC000740307171	581663555	/nfs/dbraw/zinc/66/35/55/581663555.db2.gz	PNHJTMWDYWZEBL-JTQLQIEISA-N	-1	0	267.285	0.127	20	30		CCEDRM
N#CCSCC(=O)NC[C@@H]1CCCN1C(=O)[O-]	ZINC000740310337	581663980	/nfs/dbraw/zinc/66/39/80/581663980.db2.gz	IJFWNKRTDRQWHY-QMMMGPOBSA-N	-1	0	257.315	0.502	20	30		CCEDRM
N#CC1(C(=O)N[C@@H]2CCN(C(=O)[O-])C2)CCOCC1	ZINC000740311132	581664007	/nfs/dbraw/zinc/66/40/07/581664007.db2.gz	ZBKFDSYNZOKKKH-SECBINFHSA-N	-1	0	267.285	0.175	20	30		CCEDRM
N#Cc1ccc(COC(=O)[C@@H]2C[C@H](O)CN2C(=O)[O-])cc1	ZINC000740315352	581664747	/nfs/dbraw/zinc/66/47/47/581664747.db2.gz	MDMBDAHUUYLOLW-RYUDHWBXSA-N	-1	0	290.275	0.715	20	30		CCEDRM
N#Cc1cccc(NC(=O)C(=O)NCCCNC(=O)[O-])c1	ZINC000740320051	581665366	/nfs/dbraw/zinc/66/53/66/581665366.db2.gz	DIJRQUDTVYRYMH-UHFFFAOYSA-N	-1	0	290.279	0.271	20	30		CCEDRM
NC(=O)c1ccc(N=NCc2ccc(C(=O)[O-])cc2)nn1	ZINC000756834940	581679854	/nfs/dbraw/zinc/67/98/54/581679854.db2.gz	FLKPFOPWULGGAC-UHFFFAOYSA-N	-1	0	285.263	0.720	20	30		CCEDRM
C=CCNC(=O)NC(=O)[C@H](C)S[C@H](C)CC(=O)[O-]	ZINC000736105798	581696727	/nfs/dbraw/zinc/69/67/27/581696727.db2.gz	LQZNLVYKGKXCCU-SFYZADRCSA-N	-1	0	274.342	0.983	20	30		CCEDRM
C=CCNC(=O)CSCc1noc(CCC(=O)[O-])n1	ZINC000736105680	581696813	/nfs/dbraw/zinc/69/68/13/581696813.db2.gz	FBGSIZBXSOILLC-UHFFFAOYSA-N	-1	0	285.325	0.622	20	30		CCEDRM
C=CCNC(=O)COc1ccc(C(=O)[O-])cc1C=O	ZINC000736105679	581696975	/nfs/dbraw/zinc/69/69/75/581696975.db2.gz	FBBVIWYVRJSXKY-UHFFFAOYSA-N	-1	0	263.249	0.878	20	30		CCEDRM
C=CCNC(=O)C(=O)Nc1ccc(F)c(C(=O)[O-])c1	ZINC000736107556	581697679	/nfs/dbraw/zinc/69/76/79/581697679.db2.gz	YLNQGGLQIKWICY-UHFFFAOYSA-N	-1	0	266.228	0.765	20	30		CCEDRM
C=CCN(CC(=O)OCC)C(=O)[C@H]1C[C@@H]1C(=O)[O-]	ZINC000736108003	581697852	/nfs/dbraw/zinc/69/78/52/581697852.db2.gz	FZKMDWAGAYMJDX-IUCAKERBSA-N	-1	0	255.270	0.285	20	30		CCEDRM
C#Cc1ccc(C(=O)N2CCC(C(=O)[O-])CC2)nc1	ZINC000736092857	581701086	/nfs/dbraw/zinc/70/10/86/581701086.db2.gz	MXOAESQYLLVSSC-UHFFFAOYSA-N	-1	0	258.277	1.000	20	30		CCEDRM
C=CCn1nnnc1SCc1noc(CCC(=O)[O-])n1	ZINC000736118500	581703330	/nfs/dbraw/zinc/70/33/30/581703330.db2.gz	UTPAOZLKDYHFTI-UHFFFAOYSA-N	-1	0	296.312	0.552	20	30		CCEDRM
CC(=O)c1c(C)[nH]c(C(=O)N(CC#N)CC(=O)[O-])c1C	ZINC000736176897	581713379	/nfs/dbraw/zinc/71/33/79/581713379.db2.gz	OONAAUWIBJYAMG-UHFFFAOYSA-N	-1	0	277.280	0.885	20	30		CCEDRM
C[C@](C#N)(NC(=O)COC(=O)[C@@H]1C[C@@H]1C(=O)[O-])C1CC1	ZINC000736201058	581714220	/nfs/dbraw/zinc/71/42/20/581714220.db2.gz	FZWKJVSVBFTYRW-IGJMFERPSA-N	-1	0	280.280	0.059	20	30		CCEDRM
C#CC[C@@H](NC(=O)c1cc(=O)[nH][n-]1)c1ccccc1	ZINC000757925780	581715248	/nfs/dbraw/zinc/71/52/48/581715248.db2.gz	SORCEDMCJKSAGZ-LLVKDONJSA-N	-1	0	255.277	0.743	20	30		CCEDRM
CC(C)[C@@](C)(C#N)NC(=O)Cn1[n-]cc2c(=O)ncnc1-2	ZINC000730541882	581719315	/nfs/dbraw/zinc/71/93/15/581719315.db2.gz	NINCMPVBGCMRCE-CYBMUJFWSA-N	-1	0	288.311	0.126	20	30		CCEDRM
CCC(=NNc1nnc(C)c(=O)[n-]1)c1cnn(C)c1	ZINC000741805167	581763865	/nfs/dbraw/zinc/76/38/65/581763865.db2.gz	OCYZVBGIWJARAJ-UHFFFAOYSA-N	-1	0	261.289	0.845	20	30		CCEDRM
CC[C@@H](C)OCC(=O)[N-]S(=O)(=O)CC1(C#N)CCC1	ZINC000771076101	581789698	/nfs/dbraw/zinc/78/96/98/581789698.db2.gz	OERQIISAYHJSHF-SNVBAGLBSA-N	-1	0	288.369	0.941	20	30		CCEDRM
CCc1nn(C)cc1C([O-])=C(C#N)C(=O)c1nccn1C	ZINC000771304025	581798200	/nfs/dbraw/zinc/79/82/00/581798200.db2.gz	YMEIVBNQIXTPGC-VIFPVBQESA-N	-1	0	285.307	0.921	20	30		CCEDRM
C#CCCCC(=O)[N-]S(=O)(=O)c1cc(C)ccn1	ZINC000759510720	581801782	/nfs/dbraw/zinc/80/17/82/581801782.db2.gz	LHDIFOPZUJPQLU-UHFFFAOYSA-N	-1	0	266.322	0.998	20	30		CCEDRM
COC[C@](C)(C#N)NC(=O)c1n[n-]c2ccccc2c1=O	ZINC000771578873	581810796	/nfs/dbraw/zinc/81/07/96/581810796.db2.gz	PPIWDIFYTVNQHY-AWEZNQCLSA-N	-1	0	286.291	0.994	20	30		CCEDRM
C[C@@H](NC(=O)c1ccccc1)C(=O)N(CC#N)CC(=O)[O-]	ZINC000736659382	581812943	/nfs/dbraw/zinc/81/29/43/581812943.db2.gz	TZLRYCGYVHWOBY-SNVBAGLBSA-N	-1	0	289.291	0.242	20	30		CCEDRM
C#CCOc1cc(F)ccc1NC(=O)c1n[nH]c(=O)[n-]1	ZINC000743640282	581819471	/nfs/dbraw/zinc/81/94/71/581819471.db2.gz	HFKLWMWMUDZPIC-UHFFFAOYSA-N	-1	0	276.227	0.914	20	30		CCEDRM
C[C@H](Oc1ccccc1)C(=O)N(CC#N)CC(=O)[O-]	ZINC000736703463	581821516	/nfs/dbraw/zinc/82/15/16/581821516.db2.gz	FWCCGOSRSLWURH-JTQLQIEISA-N	-1	0	262.265	0.891	20	30		CCEDRM
C#CCOc1ccc(F)cc1NC(=O)c1cc(=O)[nH][n-]1	ZINC000743657175	581822287	/nfs/dbraw/zinc/82/22/87/581822287.db2.gz	LKOFIHOLWKGETE-UHFFFAOYSA-N	-1	0	275.239	0.652	20	30		CCEDRM
CNC(=O)C(C#N)=C([O-])c1ccc(-c2n[nH]c(C)n2)cc1	ZINC000759832639	581826196	/nfs/dbraw/zinc/82/61/96/581826196.db2.gz	GWIPKEFIODUOQU-LLVKDONJSA-N	-1	0	283.291	0.849	20	30		CCEDRM
C=CCS(=O)(=O)[N-]C(=O)[C@H]1CC(=O)N(CC(C)C)C1	ZINC000772724255	581843327	/nfs/dbraw/zinc/84/33/27/581843327.db2.gz	WNXFZFMFGMMLSD-JTQLQIEISA-N	-1	0	288.369	0.123	20	30		CCEDRM
N#CCN1CCN(C(=O)c2n[n-]c3ccccc3c2=O)CC1	ZINC000744554236	581844576	/nfs/dbraw/zinc/84/45/76/581844576.db2.gz	NJTGMFYQOPDQFN-UHFFFAOYSA-N	-1	0	297.318	0.617	20	30		CCEDRM
COc1ccccc1C(=O)C(=O)Nc1nc(C#N)c(C#N)[n-]1	ZINC000761062599	581884776	/nfs/dbraw/zinc/88/47/76/581884776.db2.gz	VDWNLIGZGXAZOX-UHFFFAOYSA-N	-1	0	295.258	0.983	20	30		CCEDRM
C=CCS(=O)(=O)[N-]C(=O)CN1Cc2ccccc2C1=O	ZINC000772717841	581886162	/nfs/dbraw/zinc/88/61/62/581886162.db2.gz	SIXQJLVOXMDNDY-UHFFFAOYSA-N	-1	0	294.332	0.274	20	30		CCEDRM
C=CCS(=O)(=O)[N-]C(=O)c1cc(Cl)cn1C	ZINC000772720721	581886628	/nfs/dbraw/zinc/88/66/28/581886628.db2.gz	QVRGEOKEZAQKNI-UHFFFAOYSA-N	-1	0	262.718	0.924	20	30		CCEDRM
C=CCN(CC(=O)[O-])C(=O)c1ccc(-n2cccn2)nc1	ZINC000762050704	581929530	/nfs/dbraw/zinc/92/95/30/581929530.db2.gz	TYAOFZYWIAHMKD-UHFFFAOYSA-N	-1	0	286.291	0.980	20	30		CCEDRM
N#CCCNC(=O)COC(=O)c1c(F)cc([O-])cc1F	ZINC000746987197	581929864	/nfs/dbraw/zinc/92/98/64/581929864.db2.gz	OUZLTQJKRSNKBW-UHFFFAOYSA-N	-1	0	284.218	0.857	20	30		CCEDRM
CC#CC[C@@H]([N-]S(=O)(=O)[C@H](C)C(F)(F)F)C(=O)[O-]	ZINC000275072874	581937385	/nfs/dbraw/zinc/93/73/85/581937385.db2.gz	WYTLSBHVDCBBIL-RNFRBKRXSA-N	-1	0	287.259	0.723	20	30		CCEDRM
C#CCCCCC(=O)[N-]S(=O)(=O)[C@H](C)COC	ZINC000773779565	581941837	/nfs/dbraw/zinc/94/18/37/581941837.db2.gz	KYXLFSKGWGWKDE-SNVBAGLBSA-N	-1	0	261.343	0.661	20	30		CCEDRM
CCOc1nc(C([O-])=C(C#N)C(=O)NCCOC)co1	ZINC000773972882	581950754	/nfs/dbraw/zinc/95/07/54/581950754.db2.gz	APALMJGEXXAOFU-MRVPVSSYSA-N	-1	0	281.268	0.158	20	30		CCEDRM
CN(CCCC(=O)OCCn1ncc(C#N)c1N)C(=O)[O-]	ZINC000737433326	581956914	/nfs/dbraw/zinc/95/69/14/581956914.db2.gz	IASAYTGRKCEEGG-UHFFFAOYSA-N	-1	0	295.299	0.270	20	30		CCEDRM
C=CCS(=O)(=O)[N-]C(=O)c1ccc(C(C)=O)o1	ZINC000774164704	581962488	/nfs/dbraw/zinc/96/24/88/581962488.db2.gz	WFDCETMKJVIPNI-UHFFFAOYSA-N	-1	0	257.267	0.728	20	30		CCEDRM
CNC(=S)NN=Cc1ccc([N+](=O)[O-])c([O-])c1	ZINC000748131312	581963407	/nfs/dbraw/zinc/96/34/07/581963407.db2.gz	KARDGZVSOVRSCC-UHFFFAOYSA-N	-1	0	254.271	0.728	20	30		CCEDRM
Cn1cc(C#N)cc1C(=O)[N-]S(=O)(=O)C1CCC1	ZINC000774289804	581969188	/nfs/dbraw/zinc/96/91/88/581969188.db2.gz	JTPXGULOVIGVEV-UHFFFAOYSA-N	-1	0	267.310	0.509	20	30		CCEDRM
C=CCOCC(=O)N1CCC(N(C)C(=O)[O-])CC1	ZINC000737532261	581973908	/nfs/dbraw/zinc/97/39/08/581973908.db2.gz	ASIHYTZFPWZJOI-UHFFFAOYSA-N	-1	0	256.302	0.790	20	30		CCEDRM
N#CCOc1cccc(CC(=O)OCc2n[nH]c(=O)[n-]2)c1	ZINC000774992159	582007785	/nfs/dbraw/zinc/00/77/85/582007785.db2.gz	OALNVUDLUYAAKN-UHFFFAOYSA-N	-1	0	288.263	0.699	20	30		CCEDRM
C=CCCO[C@@H](C)C(=O)[N-]S(=O)(=O)C[C@@H](C)OC	ZINC000764187454	582034505	/nfs/dbraw/zinc/03/45/05/582034505.db2.gz	QTUCVCALLOCSNM-ZJUUUORDSA-N	-1	0	279.358	0.449	20	30		CCEDRM
N#CCCCCNC(=O)N1CCO[C@@H](C(=O)[O-])C1	ZINC000738428419	582048315	/nfs/dbraw/zinc/04/83/15/582048315.db2.gz	NOYTXSFNPYQSPU-SECBINFHSA-N	-1	0	255.274	0.175	20	30		CCEDRM
N#Cc1ccc(NC(=O)C(=O)NCCC(=O)[O-])cc1	ZINC000738430476	582049057	/nfs/dbraw/zinc/04/90/57/582049057.db2.gz	FMETXWFOGVIVGQ-UHFFFAOYSA-N	-1	0	261.237	0.088	20	30		CCEDRM
N#Cc1ccccc1OCCN1CCO[C@H](C(=O)[O-])C1	ZINC000738436128	582049624	/nfs/dbraw/zinc/04/96/24/582049624.db2.gz	ZCPGUZMQGMKSEF-ZDUSSCGKSA-N	-1	0	276.292	0.722	20	30		CCEDRM
CC(C)COCCC(=O)[N-]S(=O)(=O)CCCC#N	ZINC000776122254	582052751	/nfs/dbraw/zinc/05/27/51/582052751.db2.gz	NSZSXNINPYDAAN-UHFFFAOYSA-N	-1	0	276.358	0.799	20	30		CCEDRM
C#CCNC(=O)C1=NN(c2ccccc2)[C@@H](C(=O)[O-])C1	ZINC000738462163	582053004	/nfs/dbraw/zinc/05/30/04/582053004.db2.gz	XGBGBPFGOROPOZ-GFCCVEGCSA-N	-1	0	271.276	0.455	20	30		CCEDRM
CC(C)(C#N)CS(=O)(=O)[N-]C(=O)c1cncc(F)c1	ZINC000776138560	582053638	/nfs/dbraw/zinc/05/36/38/582053638.db2.gz	OGPJGRFZYWIUOB-UHFFFAOYSA-N	-1	0	285.300	0.830	20	30		CCEDRM
C#CCNC(=O)N(CCC)[C@H]1CCN(C(=O)[O-])C1	ZINC000738462856	582053738	/nfs/dbraw/zinc/05/37/38/582053738.db2.gz	COIBMOULCFXJTN-JTQLQIEISA-N	-1	0	253.302	0.794	20	30		CCEDRM
C=CCOCC(=O)NC1CCC(NC(=O)[O-])CC1	ZINC000738492837	582055968	/nfs/dbraw/zinc/05/59/68/582055968.db2.gz	ZJPGTEZHEQQZBW-UHFFFAOYSA-N	-1	0	256.302	0.884	20	30		CCEDRM
CCN(C)S(=O)(=O)[N-]C(=O)c1ccc(C#N)s1	ZINC000750729152	582057531	/nfs/dbraw/zinc/05/75/31/582057531.db2.gz	IQGRPQKBMFWQQB-UHFFFAOYSA-N	-1	0	273.339	0.546	20	30		CCEDRM
C[C@@H](C#N)CN(C)C(=O)N[C@H](CNC(=O)[O-])C1CC1	ZINC000738596231	582064445	/nfs/dbraw/zinc/06/44/45/582064445.db2.gz	HHPSAVSRCICBIV-WCBMZHEXSA-N	-1	0	268.317	0.834	20	30		CCEDRM
Cn1ccnc1C([O-])=C(C#N)C(=O)[C@@H]1C[C@@]12CCOC2	ZINC000764781591	582068644	/nfs/dbraw/zinc/06/86/44/582068644.db2.gz	DWYRJQWUZCDTSO-ISTVAULSSA-N	-1	0	273.292	0.738	20	30		CCEDRM
N#CCCCS(=O)(=O)[N-]C(=O)[C@H]1C[C@]12CCOC2	ZINC000764791887	582069075	/nfs/dbraw/zinc/06/90/75/582069075.db2.gz	WWEJGOWVJWPQEA-KOLCDFICSA-N	-1	0	272.326	0.163	20	30		CCEDRM
N#Cc1cc(O)cc(C(=O)N2CCC3(C2)OCCO3)c1	ZINC000776344471	582069672	/nfs/dbraw/zinc/06/96/72/582069672.db2.gz	SEKZNMIROLLFQM-UHFFFAOYSA-N	-1	0	274.276	0.853	20	30		CCEDRM
Cc1ccccc1OCC(=O)N(CC#N)CC(=O)[O-]	ZINC000738784745	582076022	/nfs/dbraw/zinc/07/60/22/582076022.db2.gz	LMLKHWLYRYPJKC-UHFFFAOYSA-N	-1	0	262.265	0.811	20	30		CCEDRM
CC(C)C[C@H](C#N)NC(=O)COCCNC(=O)[O-]	ZINC000738803825	582078480	/nfs/dbraw/zinc/07/84/80/582078480.db2.gz	VEMGMNAYUWQUSC-SECBINFHSA-N	-1	0	257.290	0.325	20	30		CCEDRM
CC(C)N(CCC(=O)NC1(C#N)CCOCC1)C(=O)[O-]	ZINC000738838904	582082149	/nfs/dbraw/zinc/08/21/49/582082149.db2.gz	AQTMKRYXWJFDAU-UHFFFAOYSA-N	-1	0	283.328	0.954	20	30		CCEDRM
C=CCC[C@H](NS(=O)(=O)[C@H]1CCOC1)C(=O)[O-]	ZINC000776597251	582083783	/nfs/dbraw/zinc/08/37/83/582083783.db2.gz	NYESSZVBNBCXEC-IUCAKERBSA-N	-1	0	263.315	0.114	20	30		CCEDRM
Cc1nn(C)c(C)c1[C@@H](C)C(=O)N(CC#N)CC(=O)[O-]	ZINC000738905831	582087332	/nfs/dbraw/zinc/08/73/32/582087332.db2.gz	MULJFCAZCGMMPS-MRVPVSSYSA-N	-1	0	278.312	0.577	20	30		CCEDRM
C[C@H](CNC(=O)[O-])N(C)CC(=O)N[C@@](C)(C#N)C1CC1	ZINC000738941783	582091994	/nfs/dbraw/zinc/09/19/94/582091994.db2.gz	UTTOJIYYQQNPFF-RNCFNFMXSA-N	-1	0	282.344	0.383	20	30		CCEDRM
N#CCN(CC(=O)[O-])C(=O)CCCc1nc(C2CC2)no1	ZINC000739078220	582101363	/nfs/dbraw/zinc/10/13/63/582101363.db2.gz	ZBAFQOHRMFZVNR-UHFFFAOYSA-N	-1	0	292.295	0.706	20	30		CCEDRM
N#CCN(CC(=O)[O-])C(=O)CCOC[C@H]1CCCO1	ZINC000739077774	582101456	/nfs/dbraw/zinc/10/14/56/582101456.db2.gz	SRGLRPAHYLJLLW-SNVBAGLBSA-N	-1	0	270.285	0.009	20	30		CCEDRM
N#CCN1CCC(CNC(=O)CCCNC(=O)[O-])CC1	ZINC000739085433	582101783	/nfs/dbraw/zinc/10/17/83/582101783.db2.gz	GKSKTTPXSQZYKR-UHFFFAOYSA-N	-1	0	282.344	0.386	20	30		CCEDRM
N#CCN1CCC[C@H](CNC(=O)CCCNC(=O)[O-])C1	ZINC000739087103	582102188	/nfs/dbraw/zinc/10/21/88/582102188.db2.gz	VBNPWXHPTZPOPP-LLVKDONJSA-N	-1	0	282.344	0.386	20	30		CCEDRM
Cn1c2ccccc2[nH]c1=NN=Cc1cn(CC(=O)[O-])nn1	ZINC000768481665	582107350	/nfs/dbraw/zinc/10/73/50/582107350.db2.gz	DRWHKTHBLDPRCD-UHFFFAOYSA-N	-1	0	299.294	0.695	20	30		CCEDRM
C=C(Br)CNC(=O)N[C@@H](CCOC)C(=O)[O-]	ZINC000168361981	636997163	/nfs/dbraw/zinc/99/71/63/636997163.db2.gz	SFGYCFSLBFJZFK-ZETCQYMHSA-N	-1	0	295.133	0.684	20	30		CCEDRM
N#CCCN(CC(=O)NCCC(=O)[O-])CC1CC1	ZINC000833065480	601376894	/nfs/dbraw/zinc/37/68/94/601376894.db2.gz	FVDIIBMKFFHWJG-UHFFFAOYSA-N	-1	0	253.302	0.203	20	30		CCEDRM
N#CCSCC(=O)N1CCC[C@@H](CC(=O)[O-])C1	ZINC000054295533	597089515	/nfs/dbraw/zinc/08/95/15/597089515.db2.gz	MPHCDERGZRENEZ-VIFPVBQESA-N	-1	0	256.327	0.956	20	30		CCEDRM
N#Cc1ccc(C(=O)OCc2cn(CC(=O)[O-])nn2)s1	ZINC000821329975	597361659	/nfs/dbraw/zinc/36/16/59/597361659.db2.gz	QNDAQFLFJGBDLB-UHFFFAOYSA-N	-1	0	292.276	0.653	20	30		CCEDRM
C#CCCCn1nc(C)c(C)c(-c2nnn[n-]2)c1=O	ZINC000823844673	612986114	/nfs/dbraw/zinc/98/61/14/612986114.db2.gz	GDHASFBLVGWKMX-UHFFFAOYSA-N	-1	0	258.285	0.454	20	30		CCEDRM
Cn1nccc1CNC(=O)[C@@](C)(C#N)CC(=O)[O-]	ZINC000821315030	597634146	/nfs/dbraw/zinc/63/41/46/597634146.db2.gz	GUWIKVANAVWTKN-LLVKDONJSA-N	-1	0	250.258	0.041	20	30		CCEDRM
C[C@](C#N)(CC(=O)[O-])C(=O)N1CCC[C@H](CCC(N)=O)C1	ZINC000819810969	597642562	/nfs/dbraw/zinc/64/25/62/597642562.db2.gz	JDTDYHOTRNQEPK-QMTHXVAHSA-N	-1	0	295.339	0.495	20	30		CCEDRM
C[C@@](C#N)(CC(=O)[O-])C(=O)NCCN1CCSCC1	ZINC000819842458	597646832	/nfs/dbraw/zinc/64/68/32/597646832.db2.gz	QHWQRKUHSZWZPD-LBPRGKRZSA-N	-1	0	285.369	0.156	20	30		CCEDRM
C[C@@](C#N)(CC(=O)[O-])C(=O)N[C@@H]1CCc2n[nH]cc2C1	ZINC000819833309	597647018	/nfs/dbraw/zinc/64/70/18/597647018.db2.gz	FTMLOLKFEHLIKY-RNCFNFMXSA-N	-1	0	276.296	0.388	20	30		CCEDRM
C[C@](C#N)(CC(=O)[O-])C(=O)NCCOC[C@@H]1CCCO1	ZINC000819841887	597647084	/nfs/dbraw/zinc/64/70/84/597647084.db2.gz	GLDVCVNKNQAQJG-GXFFZTMASA-N	-1	0	284.312	0.303	20	30		CCEDRM
Cc1nc2n(c1C)CCN(C(=O)[C@](C)(C#N)CC(=O)[O-])C2	ZINC000821182347	597648925	/nfs/dbraw/zinc/64/89/25/597648925.db2.gz	TYWHMMQWHOXAPR-AWEZNQCLSA-N	-1	0	290.323	0.847	20	30		CCEDRM
C[C@](C#N)(CC(=O)[O-])C(=O)NC[C@H]1CCCN(CC#N)C1	ZINC000819834534	597649499	/nfs/dbraw/zinc/64/94/99/597649499.db2.gz	OHZVSOAYDVDATE-BXUZGUMPSA-N	-1	0	292.339	0.343	20	30		CCEDRM
C[C@](C#N)(CC(=O)[O-])C(=O)NC[C@@H]1CCC[C@H](O)C1	ZINC000819833548	597649592	/nfs/dbraw/zinc/64/95/92/597649592.db2.gz	HSELSUJYGCASDL-GBIKHYSHSA-N	-1	0	268.313	0.658	20	30		CCEDRM
C[C@H](O)CC(C)(C)CNC(=O)[C@](C)(C#N)CC(=O)[O-]	ZINC000820162148	597650168	/nfs/dbraw/zinc/65/01/68/597650168.db2.gz	ZFXWVNABQPACKC-ZANVPECISA-N	-1	0	270.329	0.904	20	30		CCEDRM
C[C@](C#N)(CC(=O)[O-])C(=O)NC[C@@H](O)C(F)(F)F	ZINC000819834970	597652745	/nfs/dbraw/zinc/65/27/45/597652745.db2.gz	RJHLMFADUSMOCM-SVGQVSJJSA-N	-1	0	268.191	0.030	20	30		CCEDRM
C[C@@](C#N)(CC(=O)[O-])C(=O)N[C@@H](CO)CC(F)(F)F	ZINC000819822520	597662944	/nfs/dbraw/zinc/66/29/44/597662944.db2.gz	OPAFMIIUBUSDRQ-MUWHJKNJSA-N	-1	0	282.218	0.420	20	30		CCEDRM
C[C@](C#N)(CC(=O)[O-])C(=O)NC[C@H]1CC(=O)N(C2CC2)C1	ZINC000819835663	597664343	/nfs/dbraw/zinc/66/43/43/597664343.db2.gz	WRCHWCNBNYRWDJ-YMTOWFKASA-N	-1	0	293.323	0.118	20	30		CCEDRM
COc1nc2sccn2c1C=NNCCC(=O)[O-]	ZINC000820881498	597739168	/nfs/dbraw/zinc/73/91/68/597739168.db2.gz	GIEUQWMDLIHABL-UHFFFAOYSA-N	-1	0	268.298	0.803	20	30		CCEDRM
Cc1ccc(C=NOCC(=O)NCC(=O)[O-])cc1	ZINC000821076081	597760443	/nfs/dbraw/zinc/76/04/43/597760443.db2.gz	RLNNMGGMGGSYGZ-UHFFFAOYSA-N	-1	0	250.254	0.546	20	30		CCEDRM
O=C([O-])CNC(=O)CON=Cc1ccccc1F	ZINC000821532400	597761294	/nfs/dbraw/zinc/76/12/94/597761294.db2.gz	LZUACSSRTOKBTP-UHFFFAOYSA-N	-1	0	254.217	0.377	20	30		CCEDRM
C[C@](C#N)(CC(=O)[O-])C(=O)NCCc1ccccn1	ZINC000819842144	598223117	/nfs/dbraw/zinc/22/31/17/598223117.db2.gz	KDTHTOPPQGMYQW-CYBMUJFWSA-N	-1	0	261.281	0.745	20	30		CCEDRM
C[C@](C#N)(CC(=O)[O-])C(=O)Nc1ccc(F)c(C(N)=O)c1	ZINC000819848267	598223781	/nfs/dbraw/zinc/22/37/81/598223781.db2.gz	RRCYCEIPLHRLSJ-CYBMUJFWSA-N	-1	0	293.254	0.868	20	30		CCEDRM
Cc1noc(C)c1CNC(=O)[C@](C)(C#N)CC(=O)[O-]	ZINC000821235885	598225394	/nfs/dbraw/zinc/22/53/94/598225394.db2.gz	PMWBFHNVKHYVTF-LBPRGKRZSA-N	-1	0	265.269	0.912	20	30		CCEDRM
C[C@@H]1CSCCN1C(=O)[C@](C)(C#N)CC(=O)[O-]	ZINC000820251892	598228147	/nfs/dbraw/zinc/22/81/47/598228147.db2.gz	PTGMPBJMWUBXJB-KCJUWKMLSA-N	-1	0	256.327	0.955	20	30		CCEDRM
C#CCO[C@@H](C)C(=O)N[C@@](C)(COC)CC(=O)[O-]	ZINC000909375114	612997312	/nfs/dbraw/zinc/99/73/12/612997312.db2.gz	VLPSRBHDTLXPBF-JOYOIKCWSA-N	-1	0	257.286	0.021	20	30		CCEDRM
C=CCNC(=O)NC(=O)CN[C@@H](C(=O)[O-])c1ccccc1	ZINC000050510610	599758268	/nfs/dbraw/zinc/75/82/68/599758268.db2.gz	AUWKOUBWZQKKSY-GFCCVEGCSA-N	-1	0	291.307	0.414	20	30		CCEDRM
N#CCN(CC#N)S(=O)(=O)c1ccc(C(=O)[O-])o1	ZINC000034972469	599776186	/nfs/dbraw/zinc/77/61/86/599776186.db2.gz	VGXPZXPDDIEXGC-UHFFFAOYSA-N	-1	0	269.238	0.016	20	30		CCEDRM
N#CCNC(=O)CN(CC(=O)[O-])Cc1ccccc1	ZINC000692472520	599923527	/nfs/dbraw/zinc/92/35/27/599923527.db2.gz	NTGMBEVGNRGOET-UHFFFAOYSA-N	-1	0	261.281	0.213	20	30		CCEDRM
N#C[C@H]1CN(C(=O)c2ccc(C(=O)[O-])cc2)CCO1	ZINC000093937598	599954055	/nfs/dbraw/zinc/95/40/55/599954055.db2.gz	JHAOMNKVUUSLRS-NSHDSACASA-N	-1	0	260.249	0.749	20	30		CCEDRM
N#CCN(CC(=O)[O-])C(=O)Cc1cnn(-c2ccccc2)n1	ZINC000739079208	600402969	/nfs/dbraw/zinc/40/29/69/600402969.db2.gz	UXRNMDPUEWNCQM-UHFFFAOYSA-N	-1	0	299.290	0.247	20	30		CCEDRM
C#CCNC(=O)COc1ccc([N+](=O)[O-])c(C(=O)[O-])c1	ZINC000236460167	600441088	/nfs/dbraw/zinc/44/10/88/600441088.db2.gz	LFATZJULJODBIV-UHFFFAOYSA-N	-1	0	278.220	0.421	20	30		CCEDRM
C#CCNS(=O)(=O)c1ccc(OC)c(C(=O)[O-])c1	ZINC000037311091	600576573	/nfs/dbraw/zinc/57/65/73/600576573.db2.gz	CTEBXIUMSCJBRR-UHFFFAOYSA-N	-1	0	269.278	0.305	20	30		CCEDRM
COc1ccc(NC(=O)CN(CC#N)CC(=O)[O-])cc1	ZINC000832393591	601002415	/nfs/dbraw/zinc/00/24/15/601002415.db2.gz	CVMGHRSXINVSPW-UHFFFAOYSA-N	-1	0	277.280	0.544	20	30		CCEDRM
N#CCN(CC(=O)[O-])CC(=O)Nc1cc(F)ccc1F	ZINC000833066492	601003507	/nfs/dbraw/zinc/00/35/07/601003507.db2.gz	AVNHPYYCJRXENA-UHFFFAOYSA-N	-1	0	283.234	0.813	20	30		CCEDRM
N#CCN(CC(=O)[O-])CC(=O)NCc1ccc(Cl)cc1	ZINC000833066624	601005100	/nfs/dbraw/zinc/00/51/00/601005100.db2.gz	FGRVBDCQFJAOOB-UHFFFAOYSA-N	-1	0	295.726	0.866	20	30		CCEDRM
C#CCSCC(=O)[N-]S(=O)(=O)C[C@H]1CCCOC1	ZINC000892997835	613013200	/nfs/dbraw/zinc/01/32/00/613013200.db2.gz	CTECMLKTDOKDHI-JTQLQIEISA-N	-1	0	291.394	0.225	20	30		CCEDRM
Cc1ccsc1CNC(=O)CN(CC#N)CC(=O)[O-]	ZINC000832983854	601226079	/nfs/dbraw/zinc/22/60/79/601226079.db2.gz	DDQZRZNWFBOOBF-UHFFFAOYSA-N	-1	0	281.337	0.583	20	30		CCEDRM
Cn1ncc2cc(C(=O)N(CC#N)CC(=O)[O-])cnc21	ZINC000833062156	601270895	/nfs/dbraw/zinc/27/08/95/601270895.db2.gz	YYYZBDNYKQYQJJ-UHFFFAOYSA-N	-1	0	273.252	0.019	20	30		CCEDRM
C[C@@H](CNC(=O)C(=O)Nc1ccc(F)cc1C#N)C(=O)[O-]	ZINC000827461304	601362099	/nfs/dbraw/zinc/36/20/99/601362099.db2.gz	SRZURTHGFUTURP-ZETCQYMHSA-N	-1	0	293.254	0.473	20	30		CCEDRM
Cc1nnc(N2CC[C@@](F)(C(=O)[O-])C2)c(C#N)c1C	ZINC000833021896	601379785	/nfs/dbraw/zinc/37/97/85/601379785.db2.gz	RMAUJZZZAJQLLL-LBPRGKRZSA-N	-1	0	264.260	0.968	20	30		CCEDRM
N#CCCCCS(=O)(=O)N1CC[C@](F)(C(=O)[O-])C1	ZINC000833065386	601390794	/nfs/dbraw/zinc/39/07/94/601390794.db2.gz	AAFMJXFSFSTOAR-SNVBAGLBSA-N	-1	0	278.305	0.509	20	30		CCEDRM
N#Cc1cccc(S(=O)(=O)N2CC[C@](F)(C(=O)[O-])C2)c1	ZINC000833075760	601390858	/nfs/dbraw/zinc/39/08/58/601390858.db2.gz	WIJMHCDOJZXFLJ-GFCCVEGCSA-N	-1	0	298.295	0.746	20	30		CCEDRM
N#Cc1ccc(C(=O)OCC(=O)NCCC(=O)[O-])s1	ZINC000833071217	601469542	/nfs/dbraw/zinc/46/95/42/601469542.db2.gz	DNJYKGGAVUCDBF-UHFFFAOYSA-N	-1	0	282.277	0.367	20	30		CCEDRM
N#CCCCCNS(=O)(=O)CC1(CC(=O)[O-])CC1	ZINC000833062804	601514059	/nfs/dbraw/zinc/51/40/59/601514059.db2.gz	QGEWCXBUOYFPCE-UHFFFAOYSA-N	-1	0	274.342	0.855	20	30		CCEDRM
C[C@H]1CN(S(=O)(=O)CCCC#N)C[C@H]1C(=O)[O-]	ZINC000828469922	601589038	/nfs/dbraw/zinc/58/90/38/601589038.db2.gz	DBCJOPFPSXAMAT-DTWKUNHWSA-N	-1	0	260.315	0.272	20	30		CCEDRM
N#Cc1ccc(CC(=O)N2CCOC[C@@H]2C(=O)[O-])cc1	ZINC000704666429	601606254	/nfs/dbraw/zinc/60/62/54/601606254.db2.gz	WXDCINCEFAEJHJ-GFCCVEGCSA-N	-1	0	274.276	0.413	20	30		CCEDRM
COc1ncccc1Cn1cc(C(=O)[O-])cc(C#N)c1=O	ZINC000832654809	601808903	/nfs/dbraw/zinc/80/89/03/601808903.db2.gz	ZMOVTQZVRDKPSE-UHFFFAOYSA-N	-1	0	285.259	0.870	20	30		CCEDRM
C#CCSCCNC(=O)N1CC[C@](C)(C(=O)[O-])C1	ZINC000231959788	602083138	/nfs/dbraw/zinc/08/31/38/602083138.db2.gz	ALRHSLGZWUBUAV-LBPRGKRZSA-N	-1	0	270.354	0.859	20	30		CCEDRM
C[C@H](CC(=O)[O-])C(=O)NC1CCN(CC#N)CC1	ZINC000827279777	602153278	/nfs/dbraw/zinc/15/32/78/602153278.db2.gz	HTLXNBVMWYVENV-SECBINFHSA-N	-1	0	253.302	0.201	20	30		CCEDRM
O=C([O-])CCNC(=O)C#Cc1ccc2c(c1)OCO2	ZINC000819463286	602285201	/nfs/dbraw/zinc/28/52/01/602285201.db2.gz	DNWOBSMQVWCBMC-UHFFFAOYSA-N	-1	0	261.233	0.358	20	30		CCEDRM
C[C@H](CC(=O)Nc1cnn(CC#N)c1)NC(=O)[O-]	ZINC000824710560	602773219	/nfs/dbraw/zinc/77/32/19/602773219.db2.gz	JPCQLKZABOHOOD-SSDOTTSWSA-N	-1	0	251.246	0.391	20	30		CCEDRM
N#Cc1cccc(CC(=O)NCCCNC(=O)[O-])c1	ZINC000831146709	603443023	/nfs/dbraw/zinc/44/30/23/603443023.db2.gz	WXAXYJRIAHWFOW-UHFFFAOYSA-N	-1	0	261.281	0.875	20	30		CCEDRM
N#C[C@H](OC(=O)[C@@]1(F)CCN(C(=O)[O-])C1)C1CC1	ZINC000831070015	603498060	/nfs/dbraw/zinc/49/80/60/603498060.db2.gz	CAUVABDQBWQYBJ-GZMMTYOYSA-N	-1	0	256.233	0.924	20	30		CCEDRM
Cn1cc(C#N)cc1C(=O)N1CCC[C@@H](NC(=O)[O-])C1	ZINC000830984342	603504418	/nfs/dbraw/zinc/50/44/18/603504418.db2.gz	DBFDEHWGYXYPMU-SNVBAGLBSA-N	-1	0	276.296	0.769	20	30		CCEDRM
N#Cc1cnn(C(=O)[C@@H]2CC[C@H](NC(=O)[O-])C2)c1N	ZINC000831161757	603521076	/nfs/dbraw/zinc/52/10/76/603521076.db2.gz	KZIWDVRNGSYSRL-SVRRBLITSA-N	-1	0	263.257	0.413	20	30		CCEDRM
C[C@H]1CN(C(=O)c2cc(C#N)cn2C)CCN1C(=O)[O-]	ZINC000826035160	603544258	/nfs/dbraw/zinc/54/42/58/603544258.db2.gz	QABRQQOKMLWWTL-VIFPVBQESA-N	-1	0	276.296	0.721	20	30		CCEDRM
CCN(C[C@H](C)C#N)CN1CC2(CN(C(=O)[O-])C2)CC1=O	ZINC000827020390	603586174	/nfs/dbraw/zinc/58/61/74/603586174.db2.gz	SJNZLPTYPHMRRX-LLVKDONJSA-N	-1	0	294.355	0.638	20	30		CCEDRM
Cn1cccc1C(=O)N1CCN(C(=O)[O-])C[C@@H]1C#N	ZINC000831026591	603594856	/nfs/dbraw/zinc/59/48/56/603594856.db2.gz	GNRWQQZAROGXOL-VIFPVBQESA-N	-1	0	262.269	0.353	20	30		CCEDRM
C#CCNC(=O)[C@H](C)OC(=O)[C@]1(C)CCN(C(=O)[O-])C1	ZINC000823455273	612951341	/nfs/dbraw/zinc/95/13/41/612951341.db2.gz	BLHMUBMTWFDLSP-TVQRCGJNSA-N	-1	0	282.296	0.058	20	30		CCEDRM
N#CCN(CN1C[C@@H]2CN(C(=O)[O-])CCN2C1=O)C1CC1	ZINC000831097040	603601306	/nfs/dbraw/zinc/60/13/06/603601306.db2.gz	CFHFOJDELKXFBA-NSHDSACASA-N	-1	0	293.327	0.032	20	30		CCEDRM
C[C@@H]1OC(C)(C)N(C(=O)[O-])[C@H]1C(=O)N1CCO[C@@H](C#N)C1	ZINC000826101775	603762217	/nfs/dbraw/zinc/76/22/17/603762217.db2.gz	QDNUZMBSYQONBW-LPEHRKFASA-N	-1	0	297.311	0.241	20	30		CCEDRM
CC(C)(C#N)C(=O)O[C@H]1CN(C(=O)[O-])CCC1=O	ZINC000823737854	603773494	/nfs/dbraw/zinc/77/34/94/603773494.db2.gz	NMTAVEYJUIKLQC-QMMMGPOBSA-N	-1	0	254.242	0.401	20	30		CCEDRM
N#C[C@@]1(NC(=O)[C@@]2(F)CCN(C(=O)[O-])C2)CCSC1	ZINC000831070060	603842608	/nfs/dbraw/zinc/84/26/08/603842608.db2.gz	CXBMLMRZOCUGEH-WDEREUQCSA-N	-1	0	287.316	0.594	20	30		CCEDRM
C[C@H](CCNC(=O)c1cc(C#N)c[nH]1)NC(=O)[O-]	ZINC000824801189	603870140	/nfs/dbraw/zinc/87/01/40/603870140.db2.gz	ANRCCKVWBBMREC-SSDOTTSWSA-N	-1	0	250.258	0.662	20	30		CCEDRM
N#Cc1cccc(COC(=O)[C@H]2COCCN2C(=O)[O-])c1	ZINC000831146113	603906407	/nfs/dbraw/zinc/90/64/07/603906407.db2.gz	ITSCEWMWEYMWJN-GFCCVEGCSA-N	-1	0	290.275	0.980	20	30		CCEDRM
N#Cc1ccc(COC(=O)[C@H]2COCCN2C(=O)[O-])cc1	ZINC000831126416	603909748	/nfs/dbraw/zinc/90/97/48/603909748.db2.gz	DCWSTSKHOZQKRX-GFCCVEGCSA-N	-1	0	290.275	0.980	20	30		CCEDRM
N#Cc1c[nH]c(C(=O)N2CCC[C@@H]2CNC(=O)[O-])c1	ZINC000831115036	603935650	/nfs/dbraw/zinc/93/56/50/603935650.db2.gz	YGDNWDUFDJCOTP-SECBINFHSA-N	-1	0	262.269	0.759	20	30		CCEDRM
N#CCN(C(=O)[C@H]1CC[C@H](NC(=O)[O-])C1)C1CC1	ZINC000831097247	603957739	/nfs/dbraw/zinc/95/77/39/603957739.db2.gz	GGVVVRIUHOUYFK-IUCAKERBSA-N	-1	0	251.286	0.937	20	30		CCEDRM
N#C[C@@H]1CCC[C@@H]1NC(=O)[C@@H]1CCN(C(=O)[O-])C1	ZINC000831076323	603959095	/nfs/dbraw/zinc/95/90/95/603959095.db2.gz	KAKGGZACYJUUQW-AEJSXWLSSA-N	-1	0	251.286	0.795	20	30		CCEDRM
N#C[C@@H]1CN(C(=O)[O-])CCN1C(=O)C[C@@H]1CCOC1	ZINC000831083327	604078582	/nfs/dbraw/zinc/07/85/82/604078582.db2.gz	ZHKOEBZXJIHYIR-VHSXEESVSA-N	-1	0	267.285	0.127	20	30		CCEDRM
N#C[C@H]1CN(C(=O)[O-])CCN1C(=O)c1ccc(C=O)[nH]1	ZINC000831088148	604084140	/nfs/dbraw/zinc/08/41/40/604084140.db2.gz	YPZUESQYNSOYQV-VIFPVBQESA-N	-1	0	276.252	0.155	20	30		CCEDRM
Cc1n[nH]c(C(=O)N[C@H]2CN(CC#N)CC[C@@H]2C)c1[O-]	ZINC000965917012	649941377	/nfs/dbraw/zinc/94/13/77/649941377.db2.gz	OHBDMPGFGKKDCO-WPRPVWTQSA-N	-1	0	277.328	0.388	20	30		CCEDRM
N#C[C@H](NC(=O)CC1(NC(=O)[O-])CCC1)C1CC1	ZINC000831071132	604162312	/nfs/dbraw/zinc/16/23/12/604162312.db2.gz	YRXMYUJCKVAIOK-VIFPVBQESA-N	-1	0	251.286	0.985	20	30		CCEDRM
N#C[C@H](C(=O)[C@@H]1CC[C@@H](NC(=O)[O-])C1)C(=O)N1CCCC1	ZINC000831065951	604220100	/nfs/dbraw/zinc/22/01/00/604220100.db2.gz	UKBVGOLDTVDLKS-GMTAPVOTSA-N	-1	0	293.323	0.754	20	30		CCEDRM
N#C[C@@H]1CCC[C@@H]1NC(=O)[C@@H]1CN(C(=O)[O-])CCO1	ZINC000831076855	604273314	/nfs/dbraw/zinc/27/33/14/604273314.db2.gz	UBYFLMWHFKLDJR-GUBZILKMSA-N	-1	0	267.285	0.174	20	30		CCEDRM
N#Cc1cccc(CNC(=O)[C@@H]2CN(C(=O)[O-])CCO2)c1	ZINC000831146071	604694196	/nfs/dbraw/zinc/69/41/96/604694196.db2.gz	HVVUJYCKHIKZDL-LBPRGKRZSA-N	-1	0	289.291	0.553	20	30		CCEDRM
N#CCCN(CCC#N)C(=O)[C@H]1CN(C(=O)[O-])CCO1	ZINC000831097949	604742230	/nfs/dbraw/zinc/74/22/30/604742230.db2.gz	ZONRYHLBTINJGI-SNVBAGLBSA-N	-1	0	280.284	0.021	20	30		CCEDRM
C[C@H](CC#N)NC(=O)C[C@@H]1CN(C(=O)[O-])CCO1	ZINC000824545370	604788504	/nfs/dbraw/zinc/78/85/04/604788504.db2.gz	WRQFJUIKTNLVTK-RKDXNWHRSA-N	-1	0	255.274	0.174	20	30		CCEDRM
C[C@@H](CNC(=O)C(=O)Nc1ccc(C#N)cc1F)C(=O)[O-]	ZINC000827460786	604825579	/nfs/dbraw/zinc/82/55/79/604825579.db2.gz	BQSGYBVZTFDDJK-ZETCQYMHSA-N	-1	0	293.254	0.473	20	30		CCEDRM
C#CC[C@@H](NC(=O)c1cnn(C)c1C(F)(F)F)C(=O)[O-]	ZINC000910051121	613042218	/nfs/dbraw/zinc/04/22/18/613042218.db2.gz	DQOQRCRYMJBXDF-SSDOTTSWSA-N	-1	0	289.213	0.645	20	30		CCEDRM
C[C@H](NC(=O)[O-])C(=O)OCC(=O)Nc1sccc1C#N	ZINC000833740998	604958229	/nfs/dbraw/zinc/95/82/29/604958229.db2.gz	VHSXZPGMLCEXSK-LURJTMIESA-N	-1	0	297.292	0.758	20	30		CCEDRM
C[C@H](C(N)=O)N(C)[C@H](C(=O)[O-])c1cccc(C#N)c1	ZINC000833406667	604972496	/nfs/dbraw/zinc/97/24/96/604972496.db2.gz	DEIKILSNGKGTLG-KCJUWKMLSA-N	-1	0	261.281	0.490	20	30		CCEDRM
C[C@H](C(=O)[O-])n1cccc1C=NN1CCN(C)CC1	ZINC000833406396	605038239	/nfs/dbraw/zinc/03/82/39/605038239.db2.gz	DIULXTJXKCRDGO-LLVKDONJSA-N	-1	0	264.329	0.715	20	30		CCEDRM
C=CCNC(=O)CNC(=O)Nc1ccc(F)c(C(=O)[O-])c1	ZINC000393806026	605239355	/nfs/dbraw/zinc/23/93/55/605239355.db2.gz	BIPZZSGPUXCWPO-UHFFFAOYSA-N	-1	0	295.270	0.948	20	30		CCEDRM
N#CCN1CCC(OC(=O)[C@@H]2CC[C@H](NC(=O)[O-])C2)CC1	ZINC000831102243	605269721	/nfs/dbraw/zinc/26/97/21/605269721.db2.gz	DBBBVJQYCPQWAV-MNOVXSKESA-N	-1	0	295.339	0.954	20	30		CCEDRM
N#Cc1c[nH]c(C(=O)NCC2(NC(=O)[O-])CCC2)c1	ZINC000833970323	605306048	/nfs/dbraw/zinc/30/60/48/605306048.db2.gz	QEXRZMVSWVQIJY-UHFFFAOYSA-N	-1	0	262.269	0.806	20	30		CCEDRM
C=C(C)CN1C(=O)N[C@]2(CCN(C(=O)[O-])C2)C1=O	ZINC000823480834	605345866	/nfs/dbraw/zinc/34/58/66/605345866.db2.gz	PLYYOPUJFGOVHN-NSHDSACASA-N	-1	0	253.258	0.237	20	30		CCEDRM
N#CCCCNC(=O)NCC[C@@H]1CCN(C(=O)[O-])C1	ZINC000833969665	605385871	/nfs/dbraw/zinc/38/58/71/605385871.db2.gz	WJCHYLFRTKEPCQ-SNVBAGLBSA-N	-1	0	268.317	0.979	20	30		CCEDRM
N#CCCCNS(=O)(=O)c1ccc(C(=O)[O-])cc1	ZINC000054137460	605405642	/nfs/dbraw/zinc/40/56/42/605405642.db2.gz	XIBHKPMFOUXBOP-UHFFFAOYSA-N	-1	0	268.294	0.967	20	30		CCEDRM
Cn1c(N=NCCCNC(=O)[O-])nc2ccccc2c1=O	ZINC000830978275	605463889	/nfs/dbraw/zinc/46/38/89/605463889.db2.gz	CFEJCBZBAQAWHU-UHFFFAOYSA-N	-1	0	289.295	0.989	20	30		CCEDRM
N#CCOc1ccc(CNC(=O)C2CN(C(=O)[O-])C2)cc1	ZINC000833966868	605523581	/nfs/dbraw/zinc/52/35/81/605523581.db2.gz	LTDPVWBUCZVGDQ-UHFFFAOYSA-N	-1	0	289.291	0.815	20	30		CCEDRM
N#C[C@@H]1CN(CCC2CCN(C(=O)[O-])CC2)CCO1	ZINC000833968698	605590588	/nfs/dbraw/zinc/59/05/88/605590588.db2.gz	XLRZWENWIAYDMZ-GFCCVEGCSA-N	-1	0	267.329	0.991	20	30		CCEDRM
N#C[C@@H]1CN(C(=O)[O-])C[C@H]1NCC1(O)CCCCC1	ZINC000833967506	605685444	/nfs/dbraw/zinc/68/54/44/605685444.db2.gz	RHZHGKMHANWOAU-GHMZBOCLSA-N	-1	0	267.329	0.773	20	30		CCEDRM
N#Cc1ccc(C(=O)COC(=O)CNC(=O)[O-])cc1	ZINC000833972316	605722695	/nfs/dbraw/zinc/72/26/95/605722695.db2.gz	AAIIWHISRSSXDI-UHFFFAOYSA-N	-1	0	262.221	0.552	20	30		CCEDRM
C#CCCNC(=O)[C@H]1[C@H](C)OC(C)(C)N1C(=O)[O-]	ZINC000823445038	613047812	/nfs/dbraw/zinc/04/78/12/613047812.db2.gz	VDERCXWSXREUDK-DTWKUNHWSA-N	-1	0	254.286	0.629	20	30		CCEDRM
C[C@@H]1CN(C(=O)[C@@H](O)c2ccc(C#N)cc2)C[C@H]1C(=O)[O-]	ZINC000833621287	605758703	/nfs/dbraw/zinc/75/87/03/605758703.db2.gz	ZJDVIJPHGDLZJC-WQAKAFBOSA-N	-1	0	288.303	0.771	20	30		CCEDRM
N#Cc1cc(F)ccc1S(=O)(=O)NC1CN(C(=O)[O-])C1	ZINC000833974137	605846175	/nfs/dbraw/zinc/84/61/75/605846175.db2.gz	HYQMMYINNSLSRP-UHFFFAOYSA-N	-1	0	299.283	0.338	20	30		CCEDRM
C#CCCNS(=O)(=O)c1sc(C(=O)[O-])cc1OC	ZINC000825608757	613048274	/nfs/dbraw/zinc/04/82/74/613048274.db2.gz	JERKMANDMXDEIL-UHFFFAOYSA-N	-1	0	289.334	0.757	20	30		CCEDRM
Cn1cc(C#N)cc1C(=O)N1CC[C@H](NC(=O)[O-])C1	ZINC000830985367	605949659	/nfs/dbraw/zinc/94/96/59/605949659.db2.gz	OEFLCJCDFQRYSH-VIFPVBQESA-N	-1	0	262.269	0.379	20	30		CCEDRM
N#C[C@@H]1CSCCN1C(=O)[C@@]1(F)CCN(C(=O)[O-])C1	ZINC000833966089	605978546	/nfs/dbraw/zinc/97/85/46/605978546.db2.gz	HLDMIHLRUUNOAS-LDYMZIIASA-N	-1	0	287.316	0.546	20	30		CCEDRM
N#C[C@@H]1COCCN1C(=O)[C@@H](CC(F)F)NC(=O)[O-]	ZINC000833965620	606059073	/nfs/dbraw/zinc/05/90/73/606059073.db2.gz	CHFMXZWNISXWAU-RNFRBKRXSA-N	-1	0	277.227	0.029	20	30		CCEDRM
O=C([O-])N[C@@H]1CCCC1=NNC1CCS(=O)(=O)CC1	ZINC000834170577	606079638	/nfs/dbraw/zinc/07/96/38/606079638.db2.gz	UTQASXVTLAUBMF-SECBINFHSA-N	-1	0	289.357	0.329	20	30		CCEDRM
N#CCc1ccccc1CC(=O)NCCNC(=O)[O-]	ZINC000833966711	606090574	/nfs/dbraw/zinc/09/05/74/606090574.db2.gz	DBKVCJRLFZZPLX-UHFFFAOYSA-N	-1	0	261.281	0.679	20	30		CCEDRM
N#C[C@]1(NC(=O)CCOC2CN(C(=O)[O-])C2)CCSC1	ZINC000833964098	606098574	/nfs/dbraw/zinc/09/85/74/606098574.db2.gz	ZGKQPZYGFXHYRT-GFCCVEGCSA-N	-1	0	299.352	0.271	20	30		CCEDRM
C#CC[C@H](NC(=O)c1cnn(CCOC)c1C)C(=O)[O-]	ZINC000910048099	613070547	/nfs/dbraw/zinc/07/05/47/613070547.db2.gz	DJQUWWWHXLXHNA-NSHDSACASA-N	-1	0	279.296	0.044	20	30		CCEDRM
C#CC[C@H]1CCCN(S(=O)(=O)N(C)CCC(=O)[O-])C1	ZINC000849331731	613072755	/nfs/dbraw/zinc/07/27/55/613072755.db2.gz	BVTUKKHHYMKNBS-NSHDSACASA-N	-1	0	288.369	0.373	20	30		CCEDRM
COc1cc(Cl)cc(C=Nn2c(=O)[n-][nH]c2=O)c1O	ZINC000814232766	617196273	/nfs/dbraw/zinc/19/62/73/617196273.db2.gz	LGMMXEJDADFEMA-UHFFFAOYSA-N	-1	0	284.659	0.939	20	30		CCEDRM
C#CCN(CC#CC)S(=O)(=O)c1ccc(C(=O)[O-])nc1	ZINC000833364320	613100335	/nfs/dbraw/zinc/10/03/35/613100335.db2.gz	JKPYCHFQPLYOBT-UHFFFAOYSA-N	-1	0	292.316	0.427	20	30		CCEDRM
C#CCN(CC(=O)[O-])S(=O)(=O)[C@H](C)CC(C)C	ZINC000849219474	613103462	/nfs/dbraw/zinc/10/34/62/613103462.db2.gz	XMULEYDLLGVTIA-SNVBAGLBSA-N	-1	0	261.343	0.771	20	30		CCEDRM
C#C[C@@H]1COCCN1C(=O)NCC1(C(=O)[O-])CCC1	ZINC000851654112	613109613	/nfs/dbraw/zinc/10/96/13/613109613.db2.gz	PLDJBSFJCMGNOH-SNVBAGLBSA-N	-1	0	266.297	0.285	20	30		CCEDRM
C#CCC(C)(C)C(=O)[N-]S(=O)(=O)[C@H]1CCCOC1	ZINC000810662153	612966071	/nfs/dbraw/zinc/96/60/71/612966071.db2.gz	BPTYSYUQVMKQLN-JTQLQIEISA-N	-1	0	273.354	0.661	20	30		CCEDRM
C#CCC(C)(C)C(=O)[N-]S(=O)(=O)[C@H](C)C(=O)OC	ZINC000810670944	612966091	/nfs/dbraw/zinc/96/60/91/612966091.db2.gz	NTGSQUZAIANYAF-MRVPVSSYSA-N	-1	0	275.326	0.043	20	30		CCEDRM
COc1cc(OC)c(OC)cc1C=Nn1c(=O)[n-][nH]c1=O	ZINC000814231630	617210909	/nfs/dbraw/zinc/21/09/09/617210909.db2.gz	KIAFWHWOIFQXBS-UHFFFAOYSA-N	-1	0	294.267	0.597	20	30		CCEDRM
C=CCOC[C@@H](NC(=O)NC/C=C/CC)C(=O)[O-]	ZINC000909037838	613881714	/nfs/dbraw/zinc/88/17/14/613881714.db2.gz	OOQXRXGSYFXWFG-BRAIEQGRSA-N	-1	0	256.302	0.908	20	30		CCEDRM
CC(C)NC(=O)COC(=O)[C@](C)(C#N)CC(=O)[O-]	ZINC000820029393	613920895	/nfs/dbraw/zinc/92/08/95/613920895.db2.gz	ADTUUTCEEFOPBL-NSHDSACASA-N	-1	0	256.258	0.059	20	30		CCEDRM
CC(C)(C)C[C@H](O)CC(=O)N[C@H]1CCN(O)C1=O	ZINC000820137026	613921701	/nfs/dbraw/zinc/92/17/01/613921701.db2.gz	JLWCRIDQOJFCRS-BDAKNGLRSA-N	-1	0	258.318	0.280	20	30		CCEDRM
CC(C)(C)[C@@H](C#N)NC(=O)C[C@H]1CN(C(=O)[O-])CCO1	ZINC000823755384	614021141	/nfs/dbraw/zinc/02/11/41/614021141.db2.gz	ZKSYXHHXGUHVQN-VHSXEESVSA-N	-1	0	283.328	0.810	20	30		CCEDRM
C#CCCCCCC(=O)N1CCO[C@@H](C(=O)[O-])C1	ZINC000819701008	612976097	/nfs/dbraw/zinc/97/60/97/612976097.db2.gz	WBRRVQHBYWRHRI-LLVKDONJSA-N	-1	0	253.298	0.882	20	30		CCEDRM
C#CCCCCNC(=O)[C@H]1CN(C(=O)[O-])CCO1	ZINC000823440950	612978064	/nfs/dbraw/zinc/97/80/64/612978064.db2.gz	NLCGSSYOGJJYQN-SNVBAGLBSA-N	-1	0	254.286	0.285	20	30		CCEDRM
C#CCCCNC(=O)C(=O)N1CC[C@@H](C)[C@H](C(=O)[O-])C1	ZINC000843257522	612979505	/nfs/dbraw/zinc/97/95/05/612979505.db2.gz	QVXNKJVIMFXWHM-GHMZBOCLSA-N	-1	0	280.324	0.085	20	30		CCEDRM
CSC[C@H](C)C(=O)[N-]S(=O)(=O)CC1(C#N)CC1	ZINC000793205522	617253617	/nfs/dbraw/zinc/25/36/17/617253617.db2.gz	XBGAZRKSHFCIKM-QMMMGPOBSA-N	-1	0	276.383	0.735	20	30		CCEDRM
C[C@@H](C#N)C(=O)N(CCC(=O)[O-])C[C@@H]1CCCO1	ZINC000825967252	617287017	/nfs/dbraw/zinc/28/70/17/617287017.db2.gz	RZVBXOPDHCHVJV-UWVGGRQHSA-N	-1	0	254.286	0.628	20	30		CCEDRM
C[C@@H](C#N)C(=O)N1CC[C@H]2CC[C@@H](C1)N2C(=O)[O-]	ZINC000823646874	617293605	/nfs/dbraw/zinc/29/36/05/617293605.db2.gz	HIYGKZKWWFCOBC-AEJSXWLSSA-N	-1	0	251.286	0.889	20	30		CCEDRM
C[C@@H](C#N)CN(C)S(=O)(=O)NCC[C@@H](C)C(=O)[O-]	ZINC000844784332	617295728	/nfs/dbraw/zinc/29/57/28/617295728.db2.gz	FIPBBFGIKAEPSC-DTWKUNHWSA-N	-1	0	277.346	0.023	20	30		CCEDRM
C#CCC(C)(C)C(=O)[N-]S(=O)(=O)CC1(C#N)CC1	ZINC000810669450	612965702	/nfs/dbraw/zinc/96/57/02/612965702.db2.gz	UKECJCAKGBAYSS-UHFFFAOYSA-N	-1	0	268.338	0.786	20	30		CCEDRM
C#CCCCCNC(=O)N[C@@H](C(=O)[O-])[C@H]1CCCOC1	ZINC000797723194	612977894	/nfs/dbraw/zinc/97/78/94/612977894.db2.gz	BFNHHAHYKVOIDZ-NWDGAFQWSA-N	-1	0	282.340	0.969	20	30		CCEDRM
C#CCCCNC(=O)C(=O)Nc1sccc1C(=O)[O-]	ZINC000825605909	612980979	/nfs/dbraw/zinc/98/09/79/612980979.db2.gz	YRFIEKIERJTWIZ-UHFFFAOYSA-N	-1	0	280.305	0.914	20	30		CCEDRM
C#CCCCNC(=O)N1CCO[C@H]([C@H](C)NC(=O)[O-])C1	ZINC000823444974	612981527	/nfs/dbraw/zinc/98/15/27/612981527.db2.gz	SANBGINFZIJAQA-QWRGUYRKSA-N	-1	0	283.328	0.466	20	30		CCEDRM
C#CCCCn1cc([N+](=O)[O-])cc(C(=O)[O-])c1=O	ZINC000833362549	612986245	/nfs/dbraw/zinc/98/62/45/612986245.db2.gz	XUYXEFYLBQDROW-UHFFFAOYSA-N	-1	0	250.210	0.868	20	30		CCEDRM
C#CCOCCNC(=O)N[C@H]1CC[C@@H](C(=O)[O-])C1	ZINC000831039181	612988243	/nfs/dbraw/zinc/98/82/43/612988243.db2.gz	PVVAJBJLTZUQBE-ZJUUUORDSA-N	-1	0	254.286	0.189	20	30		CCEDRM
C#CCO[N-]C(=O)CNC(=O)c1ccc(F)cc1F	ZINC000812786761	612992013	/nfs/dbraw/zinc/99/20/13/612992013.db2.gz	QXYDAMKEAZSWEE-UHFFFAOYSA-N	-1	0	268.219	0.376	20	30		CCEDRM
C#CCO[N-]C(=O)Cn1ccc2ccccc2c1=O	ZINC000812785951	612992375	/nfs/dbraw/zinc/99/23/75/612992375.db2.gz	SITDFDKRWALSMS-UHFFFAOYSA-N	-1	0	256.261	0.683	20	30		CCEDRM
C#CCO[N-]C(=O)[C@@]1(Cc2ccccc2)CCN(C)C1=O	ZINC000824483632	612992755	/nfs/dbraw/zinc/99/27/55/612992755.db2.gz	GXGRMANFZSLNRG-INIZCTEOSA-N	-1	0	286.331	0.759	20	30		CCEDRM
C#CCO[N-]C(=O)[C@H](CCOC)NC(=O)OC(C)(C)C	ZINC000880078724	612992930	/nfs/dbraw/zinc/99/29/30/612992930.db2.gz	HTRBMZXBBYBNKU-JTQLQIEISA-N	-1	0	286.328	0.597	20	30		CCEDRM
C#CCO[N-]C(=O)c1cc[nH]c(=O)c1Br	ZINC000812783136	612993410	/nfs/dbraw/zinc/99/34/10/612993410.db2.gz	AHZAOUGKATYXMC-UHFFFAOYSA-N	-1	0	271.070	0.844	20	30		CCEDRM
C#CCO[C@@H](C)C(=O)N(C[C@H](C)C(=O)[O-])C1CC1	ZINC000909456217	612994079	/nfs/dbraw/zinc/99/40/79/612994079.db2.gz	CPJDPQNQNAQBQQ-UWVGGRQHSA-N	-1	0	253.298	0.736	20	30		CCEDRM
C#CCO[C@H](C)C(=O)N1CC2(CCC2)[C@@](F)(C(=O)[O-])C1	ZINC000909937324	612999177	/nfs/dbraw/zinc/99/91/77/612999177.db2.gz	ZIWZJOAZKMQIJC-YGRLFVJLSA-N	-1	0	283.299	0.830	20	30		CCEDRM
C#CCOc1ccc(NC(=O)NCCOCC(=O)[O-])cc1	ZINC000864593271	613007188	/nfs/dbraw/zinc/00/71/88/613007188.db2.gz	OLVIRIYRBOOESX-UHFFFAOYSA-N	-1	0	292.291	0.921	20	30		CCEDRM
C#CCOc1ccccc1CN1CCOC[C@H]1C(=O)[O-]	ZINC000833367445	613007843	/nfs/dbraw/zinc/00/78/43/613007843.db2.gz	YBRFIVCSRVWKFL-ZDUSSCGKSA-N	-1	0	275.304	0.984	20	30		CCEDRM
C#CC[C@@H](NC(=O)C(C)(C)c1ccccn1)C(=O)[O-]	ZINC000910050062	613039464	/nfs/dbraw/zinc/03/94/64/613039464.db2.gz	DOLKQFBDKAFPOV-SNVBAGLBSA-N	-1	0	260.293	0.952	20	30		CCEDRM
C#CC[C@@H](NC(=O)C[C@H](O)CC(C)(C)C)C(=O)[O-]	ZINC000910051055	613039988	/nfs/dbraw/zinc/03/99/88/613039988.db2.gz	RHLYNGTYMWJYCQ-VHSXEESVSA-N	-1	0	255.314	0.766	20	30		CCEDRM
C#CC[C@@H](NC(=O)COc1cccc(OC)c1)C(=O)[O-]	ZINC000910052051	613040030	/nfs/dbraw/zinc/04/00/30/613040030.db2.gz	MFQJBLUYGJJROK-GFCCVEGCSA-N	-1	0	277.276	0.667	20	30		CCEDRM
C#CC[C@@H](NC(=O)C[C@H](O)c1cccc(F)c1)C(=O)[O-]	ZINC000910053999	613040124	/nfs/dbraw/zinc/04/01/24/613040124.db2.gz	HBGZFYYSFJMHHE-NEPJUHHUSA-N	-1	0	279.267	0.842	20	30		CCEDRM
C#CC[C@@H](NC(=O)[C@@H]1CCCN(C(=O)CC)C1)C(=O)[O-]	ZINC000910050987	613040807	/nfs/dbraw/zinc/04/08/07/613040807.db2.gz	CSYCCWARBGDRNN-GHMZBOCLSA-N	-1	0	280.324	0.228	20	30		CCEDRM
C#CC[C@@H](NC(=O)[C@H]1CCc2nc[nH]c2C1)C(=O)[O-]	ZINC000910049053	613041195	/nfs/dbraw/zinc/04/11/95/613041195.db2.gz	RYOPHTFZAAGSHO-WCBMZHEXSA-N	-1	0	261.281	0.107	20	30		CCEDRM
C#CC[C@@H](NC(=O)[C@H]1CCC(=O)c2cccn21)C(=O)[O-]	ZINC000910050157	613041233	/nfs/dbraw/zinc/04/12/33/613041233.db2.gz	GMQNSDZMEQTVON-MWLCHTKSSA-N	-1	0	274.276	0.598	20	30		CCEDRM
C#CC[C@@H](NC(=O)[C@H]1CCOC2(CCC2)C1)C(=O)[O-]	ZINC000910049005	613041267	/nfs/dbraw/zinc/04/12/67/613041267.db2.gz	QRGVWXZGCMUVHG-WDEREUQCSA-N	-1	0	265.309	0.928	20	30		CCEDRM
C#CC[C@@H](NC(=O)[C@H]1CCCN(C(=O)CC)C1)C(=O)[O-]	ZINC000910050990	613041410	/nfs/dbraw/zinc/04/14/10/613041410.db2.gz	CSYCCWARBGDRNN-WDEREUQCSA-N	-1	0	280.324	0.228	20	30		CCEDRM
C#CC[C@@H](NC(=O)[C@](C)(O)CCc1ccccc1)C(=O)[O-]	ZINC000910050895	613041597	/nfs/dbraw/zinc/04/15/97/613041597.db2.gz	PPZOUFHMECXJIJ-CZUORRHYSA-N	-1	0	289.331	0.963	20	30		CCEDRM
C#CC[C@@H](NC(=O)c1ccc(CNC(C)=O)s1)C(=O)[O-]	ZINC000910053645	613041707	/nfs/dbraw/zinc/04/17/07/613041707.db2.gz	XKVCCYPOZWHNCD-SNVBAGLBSA-N	-1	0	294.332	0.591	20	30		CCEDRM
C#CC[C@@H](NC(=O)c1ccc(N2CCCC2)nc1)C(=O)[O-]	ZINC000910052283	613042013	/nfs/dbraw/zinc/04/20/13/613042013.db2.gz	SCKQFLCZWCVITH-GFCCVEGCSA-N	-1	0	287.319	0.888	20	30		CCEDRM
C#CC[C@@H](NC(=O)c1[nH]ncc1C(F)(F)F)C(=O)[O-]	ZINC000910048795	613042391	/nfs/dbraw/zinc/04/23/91/613042391.db2.gz	OSHGDCUBEOIHEM-ZCFIWIBFSA-N	-1	0	275.186	0.635	20	30		CCEDRM
C#CC[C@@H](NC(=O)c1sc(COC)nc1C)C(=O)[O-]	ZINC000910054332	613042418	/nfs/dbraw/zinc/04/24/18/613042418.db2.gz	PHUYKTXEBMHZQW-MRVPVSSYSA-N	-1	0	282.321	0.804	20	30		CCEDRM
C#CCCNC(=O)C(=O)Nc1cccc(CNC(=O)[O-])c1	ZINC000823444082	613046814	/nfs/dbraw/zinc/04/68/14/613046814.db2.gz	DCROUPIFANKPDQ-UHFFFAOYSA-N	-1	0	289.291	0.532	20	30		CCEDRM
C#CC[C@H](CCOC)NC(=O)c1cc(=O)n(C)[n-]1	ZINC000863779563	613052474	/nfs/dbraw/zinc/05/24/74/613052474.db2.gz	PVYIBKSSUORJQL-SECBINFHSA-N	-1	0	251.286	0.284	20	30		CCEDRM
C#CCCS(=O)(=O)[N-]C(=O)Cc1cn2ccccc2n1	ZINC000810783890	613053042	/nfs/dbraw/zinc/05/30/42/613053042.db2.gz	JCEODCAMOFWJRE-UHFFFAOYSA-N	-1	0	291.332	0.346	20	30		CCEDRM
C#CCCS(=O)(=O)[N-]C(=O)C[C@@H](OC)C(F)(F)F	ZINC000845545244	613053059	/nfs/dbraw/zinc/05/30/59/613053059.db2.gz	PCSXQCIIYKHASZ-SSDOTTSWSA-N	-1	0	287.259	0.423	20	30		CCEDRM
C#CCCS(=O)(=O)[N-]C(=O)c1ccc(C#N)cc1C	ZINC000810779224	613053525	/nfs/dbraw/zinc/05/35/25/613053525.db2.gz	DLMFCPAGQORZSC-UHFFFAOYSA-N	-1	0	276.317	0.950	20	30		CCEDRM
C#CCCS(=O)(=O)[N-]C(=O)c1cccc(COC)c1	ZINC000791110676	613053607	/nfs/dbraw/zinc/05/36/07/613053607.db2.gz	HBGPLZMKLXAYAL-UHFFFAOYSA-N	-1	0	281.333	0.916	20	30		CCEDRM
C#CCN(C(=O)C(=O)NC[C@@H](C)C(=O)[O-])C1CCCC1	ZINC000848609963	613065032	/nfs/dbraw/zinc/06/50/32/613065032.db2.gz	QBSFWVLLUUQYCJ-SNVBAGLBSA-N	-1	0	280.324	0.228	20	30		CCEDRM
C#CC[C@H](NC(=O)CN(C)C(=O)OC(C)(C)C)C(=O)[O-]	ZINC000910053475	613067954	/nfs/dbraw/zinc/06/79/54/613067954.db2.gz	ABOIEPSFUFVLCW-VIFPVBQESA-N	-1	0	284.312	0.446	20	30		CCEDRM
C#CC[C@H](NC(=O)C[C@H](C)n1ccc(C)n1)C(=O)[O-]	ZINC000910051412	613068014	/nfs/dbraw/zinc/06/80/14/613068014.db2.gz	USMVSZFODUILSP-QWRGUYRKSA-N	-1	0	263.297	0.735	20	30		CCEDRM
C#CC[C@H](NC(=O)[C@]12CCO[C@H]1CCCC2)C(=O)[O-]	ZINC000910052338	613069247	/nfs/dbraw/zinc/06/92/47/613069247.db2.gz	UPNVVKYHINITEA-COPLHBTASA-N	-1	0	265.309	0.928	20	30		CCEDRM
C#C[C@@H](C)N(C)C(=O)[C@@H]1CC[C@H](CCC(=O)[O-])O1	ZINC000911385556	613079406	/nfs/dbraw/zinc/07/94/06/613079406.db2.gz	WVCFOQGLGKGERL-MXWKQRLJSA-N	-1	0	253.298	0.879	20	30		CCEDRM
C#C[C@@H](C)NC(=O)[C@@H]1CC(C(=O)[O-])=NN1c1ccccc1	ZINC000911393427	613082037	/nfs/dbraw/zinc/08/20/37/613082037.db2.gz	SYLFUZNMWGQNJN-MFKMUULPSA-N	-1	0	285.303	0.844	20	30		CCEDRM
C#CCN(CC#C)C[C@H](O)COc1ccc(C(=O)[O-])cc1	ZINC000825609139	613099024	/nfs/dbraw/zinc/09/90/24/613099024.db2.gz	WLIZZXYQOHUCLC-AWEZNQCLSA-N	-1	0	287.315	0.693	20	30		CCEDRM
C#C[C@@H](NC(=O)c1cncc(C(=O)[O-])c1)[C@@H]1CCCO1	ZINC000911579757	613099172	/nfs/dbraw/zinc/09/91/72/613099172.db2.gz	PMVFFQRKJYECEG-NEPJUHHUSA-N	-1	0	274.276	0.690	20	30		CCEDRM
C#C[C@@H]1COCCN1C(=O)c1n[n-]c2ccccc2c1=O	ZINC000838269482	613111297	/nfs/dbraw/zinc/11/12/97/613111297.db2.gz	NSJVLYFKMDDZFW-SNVBAGLBSA-N	-1	0	283.287	0.810	20	30		CCEDRM
C#C[C@H](C)NS(=O)(=O)c1ccc(OCC(=O)[O-])c(C)c1	ZINC000871950935	613118943	/nfs/dbraw/zinc/11/89/43/613118943.db2.gz	HWZFRVHEWAMPGN-JTQLQIEISA-N	-1	0	297.332	0.758	20	30		CCEDRM
C#C[C@H](NC(=O)CCSCC(=O)[O-])C1CCOCC1	ZINC000911792135	613133141	/nfs/dbraw/zinc/13/31/41/613133141.db2.gz	QRWQRCFYODOCIY-NSHDSACASA-N	-1	0	285.365	0.739	20	30		CCEDRM
C#C[C@H]1COCCN1S(=O)(=O)c1ccc(C(=O)[O-])cc1	ZINC000907016077	613163339	/nfs/dbraw/zinc/16/33/39/613163339.db2.gz	WACVTVPZIVEMDZ-NSHDSACASA-N	-1	0	295.316	0.408	20	30		CCEDRM
C#Cc1ccc(C(=O)N2CC[C@H](OC)C[C@@H]2C(=O)[O-])cn1	ZINC000833368523	613174451	/nfs/dbraw/zinc/17/44/51/613174451.db2.gz	PVGNNHCUPKSHSR-QWHCGFSZSA-N	-1	0	288.303	0.767	20	30		CCEDRM
C#Cc1ccccc1CC(=O)[N-]S(=O)(=O)c1cc[nH]n1	ZINC000810707032	613206799	/nfs/dbraw/zinc/20/67/99/613206799.db2.gz	CAQYOZLDTDEXTE-UHFFFAOYSA-N	-1	0	289.316	0.439	20	30		CCEDRM
C#Cc1cncc(C(=O)N2CCC[C@H](O)[C@H]2C(=O)[O-])c1	ZINC000911631800	613213318	/nfs/dbraw/zinc/21/33/18/613213318.db2.gz	SALYVGNFHSCALN-RYUDHWBXSA-N	-1	0	274.276	0.113	20	30		CCEDRM
C#Cc1cncc(C(=O)N2CCOC[C@@H]2CC(=O)[O-])c1	ZINC000909617055	613213800	/nfs/dbraw/zinc/21/38/00/613213800.db2.gz	PJHOJTJDEKHVHD-LBPRGKRZSA-N	-1	0	274.276	0.379	20	30		CCEDRM
C#Cc1cncc(C(=O)N2CCSC[C@@H](C(=O)[O-])C2)c1	ZINC000910149509	613214319	/nfs/dbraw/zinc/21/43/19/613214319.db2.gz	KIDKKAGVLYRQMA-LBPRGKRZSA-N	-1	0	290.344	0.953	20	30		CCEDRM
COc1ccnc(CNC(=O)[C@@](C)(C#N)CC(=O)[O-])c1	ZINC000820881527	617325316	/nfs/dbraw/zinc/32/53/16/617325316.db2.gz	HWXGLGFWQUDEFM-CYBMUJFWSA-N	-1	0	277.280	0.711	20	30		CCEDRM
C=C(C)C(C)(C)C(=O)[N-]S(=O)(=O)CCC(=O)OC	ZINC000821074798	613244462	/nfs/dbraw/zinc/24/44/62/613244462.db2.gz	VPYHLDHMHIMXFZ-UHFFFAOYSA-N	-1	0	277.342	0.598	20	30		CCEDRM
C=C(C)C(C)(C)C(=O)[N-]S(=O)(=O)Cc1cnn(C)c1	ZINC000847848371	613244552	/nfs/dbraw/zinc/24/45/52/613244552.db2.gz	NMESMTWNGPRZEU-UHFFFAOYSA-N	-1	0	285.369	0.968	20	30		CCEDRM
C=C(C)CCNC(=O)N[C@](C)(Cn1cccn1)C(=O)[O-]	ZINC000900291998	613282031	/nfs/dbraw/zinc/28/20/31/613282031.db2.gz	NJNTWCXNQOHEHM-CYBMUJFWSA-N	-1	0	280.328	0.992	20	30		CCEDRM
C#CCNC(=O)CN1CCC[C@H](C)[C@@H]1CNC(=O)[O-]	ZINC000823456550	613329259	/nfs/dbraw/zinc/32/92/59/613329259.db2.gz	NOXIPFYMFUEFJI-QWRGUYRKSA-N	-1	0	267.329	0.104	20	30		CCEDRM
C#CCNC(=O)COC(=O)CCc1ccccc1C(=O)[O-]	ZINC000833365908	613331405	/nfs/dbraw/zinc/33/14/05/613331405.db2.gz	WXLAQECSXOFALC-UHFFFAOYSA-N	-1	0	289.287	0.610	20	30		CCEDRM
C#CCNC(=O)COC(=O)[C@H]1CCC[C@H](C(=O)[O-])C1	ZINC000825620123	613332384	/nfs/dbraw/zinc/33/23/84/613332384.db2.gz	WLSVWLLYNCZHBL-UWVGGRQHSA-N	-1	0	267.281	0.170	20	30		CCEDRM
C=C(C)COCCNC(=O)Cn1ccc(C(=O)[O-])n1	ZINC000909559455	613351974	/nfs/dbraw/zinc/35/19/74/613351974.db2.gz	NEYDXJRCYQKJEC-UHFFFAOYSA-N	-1	0	267.285	0.290	20	30		CCEDRM
C=C(C)COCCNC(=O)[C@@]1(F)CCN(C(=O)[O-])C1	ZINC000823480395	613352100	/nfs/dbraw/zinc/35/21/00/613352100.db2.gz	AUZUJDWNJYJIAK-GFCCVEGCSA-N	-1	0	274.292	0.787	20	30		CCEDRM
C=C(C)COCCNS(=O)(=O)C[C@H](C)C(=O)[O-]	ZINC000825647155	613352299	/nfs/dbraw/zinc/35/22/99/613352299.db2.gz	FZJQLHXACBKCPH-VIFPVBQESA-N	-1	0	265.331	0.219	20	30		CCEDRM
C=C(C)CO[N-]C(=O)CN1C(=O)[C@H]2CCCC[C@@H]2C1=O	ZINC000846541562	613352487	/nfs/dbraw/zinc/35/24/87/613352487.db2.gz	ZGVFYRCTCGCDLZ-QWRGUYRKSA-N	-1	0	280.324	0.786	20	30		CCEDRM
C=C(C)CS(=O)(=O)N[C@@H](C[C@@H]1CCCO1)C(=O)[O-]	ZINC000903029267	613354227	/nfs/dbraw/zinc/35/42/27/613354227.db2.gz	HQGGJEYHSQAENZ-UWVGGRQHSA-N	-1	0	277.342	0.504	20	30		CCEDRM
C=C(C)CS(=O)(=O)N[C@H](C(=O)[O-])c1cccnc1	ZINC000871995561	613354229	/nfs/dbraw/zinc/35/42/29/613354229.db2.gz	BNFAYUCAGNXDNP-JTQLQIEISA-N	-1	0	270.310	0.703	20	30		CCEDRM
C=C(C)CS(=O)(=O)N[C@H](C(=O)[O-])[C@H](O)c1ccccc1	ZINC000844785762	613354233	/nfs/dbraw/zinc/35/42/33/613354233.db2.gz	MSSQJMWBIZNABS-NWDGAFQWSA-N	-1	0	299.348	0.669	20	30		CCEDRM
C=C(C)C[C@@H](NC(=O)[C@H]1CCc2nnn(C)c2C1)C(=O)[O-]	ZINC000910294941	613356164	/nfs/dbraw/zinc/35/61/64/613356164.db2.gz	SDHJEIUTVHRFGT-GXSJLCMTSA-N	-1	0	292.339	0.456	20	30		CCEDRM
C=C(C)C[C@H](NC(=O)CCn1ccnn1)C(=O)[O-]	ZINC000910286021	613358644	/nfs/dbraw/zinc/35/86/44/613358644.db2.gz	DZULZKCZPXESHV-VIFPVBQESA-N	-1	0	252.274	0.204	20	30		CCEDRM
C=C(C)C[C@H](NC(=O)NCc1nccn1C)C(=O)[O-]	ZINC000908936027	613358808	/nfs/dbraw/zinc/35/88/08/613358808.db2.gz	DSBFWOXLEBNAPQ-VIFPVBQESA-N	-1	0	266.301	0.639	20	30		CCEDRM
C=C(C)C[C@H](NC(=O)N[C@H]1C[C@H](OC)C1)C(=O)[O-]	ZINC000909164668	613358874	/nfs/dbraw/zinc/35/88/74/613358874.db2.gz	VYVHYFPEUXFHJR-GUBZILKMSA-N	-1	0	256.302	0.882	20	30		CCEDRM
C=C(C)C[C@H](NC(=O)[C@@H]1C[C@@]12CCOC2)C(=O)[O-]	ZINC000910294999	613358950	/nfs/dbraw/zinc/35/89/50/613358950.db2.gz	TVJPMGAFDMVIMA-OUJBWJOFSA-N	-1	0	253.298	0.949	20	30		CCEDRM
C=C(C)C[C@H](NC(=O)[C@H]1CN(CC)CCO1)C(=O)[O-]	ZINC000910292257	613359064	/nfs/dbraw/zinc/35/90/64/613359064.db2.gz	NZYSQMKMSWBQFZ-WDEREUQCSA-N	-1	0	270.329	0.243	20	30		CCEDRM
C=C(C)C[C@H](NC(=O)[C@H]1CCc2nnc(C)n2C1)C(=O)[O-]	ZINC000910288641	613359091	/nfs/dbraw/zinc/35/90/91/613359091.db2.gz	ZBCDXKHSQHVHDC-QWRGUYRKSA-N	-1	0	292.339	0.685	20	30		CCEDRM
C=C(C)C[C@H](NC(C)=O)C(=O)[N-]OCCN1CCCC1=O	ZINC000856046155	613359393	/nfs/dbraw/zinc/35/93/93/613359393.db2.gz	YCMYFYTZUPFWLG-LBPRGKRZSA-N	-1	0	297.355	0.128	20	30		CCEDRM
C=C(C)[C@H](CC(=O)N1CCOC[C@H]1c1nnn[n-]1)OCC	ZINC000913495970	613362188	/nfs/dbraw/zinc/36/21/88/613362188.db2.gz	QGQHCIJXYCIQAA-QWRGUYRKSA-N	-1	0	295.343	0.471	20	30		CCEDRM
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CC#CCS(=O)(=O)[N-]C(=O)Cc1ccc(C)nc1	ZINC000835370817	613646247	/nfs/dbraw/zinc/64/62/47/613646247.db2.gz	AGFQBUFICYKSJD-UHFFFAOYSA-N	-1	0	266.322	0.402	20	30		CCEDRM
CC#CCS(=O)(=O)[N-]C(=O)[C@H](OC)c1ccc(F)cc1	ZINC000860720586	613646994	/nfs/dbraw/zinc/64/69/94/613646994.db2.gz	HCEZBBSBQMLDIT-GFCCVEGCSA-N	-1	0	299.323	0.983	20	30		CCEDRM
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C=CCNC(=O)[C@H](C)N1CCO[C@@H]([C@H](C)NC(=O)[O-])C1	ZINC000823507477	613855176	/nfs/dbraw/zinc/85/51/76/613855176.db2.gz	YZOJGTZWCRPKJW-GARJFASQSA-N	-1	0	285.344	0.034	20	30		CCEDRM
C=CCNC(=O)[C@H](C)OC(=O)[C@H]1CC[C@H](NC(=O)[O-])C1	ZINC000823507024	613855809	/nfs/dbraw/zinc/85/58/09/613855809.db2.gz	QITPYCATPCYTCZ-GUBZILKMSA-N	-1	0	284.312	0.657	20	30		CCEDRM
C=CCOCC(=O)N1CC[C@H](C(=O)[O-])C[C@@H]1C(=O)OC	ZINC000833375548	613879231	/nfs/dbraw/zinc/87/92/31/613879231.db2.gz	DVNDJOKWUIGBQH-VHSXEESVSA-N	-1	0	285.296	0.054	20	30		CCEDRM
C=CCOCC(=O)[N-]S(=O)(=O)[C@H]1COC(C)(C)C1	ZINC000861144953	613879387	/nfs/dbraw/zinc/87/93/87/613879387.db2.gz	YCFHWCHKYIVBLC-SECBINFHSA-N	-1	0	277.342	0.203	20	30		CCEDRM
C=CCOCCCC(=O)N1CCCn2nc(C(=O)[O-])nc21	ZINC000825698905	613879714	/nfs/dbraw/zinc/87/97/14/613879714.db2.gz	OUNDZOUFJFHYDW-UHFFFAOYSA-N	-1	0	294.311	0.696	20	30		CCEDRM
C=CCOCC[N-]S(=O)(=O)c1occc1C(=O)OC	ZINC000867072070	613881263	/nfs/dbraw/zinc/88/12/63/613881263.db2.gz	TYFLYFKQUWVYKY-UHFFFAOYSA-N	-1	0	289.309	0.547	20	30		CCEDRM
C=CCOC[C@@H](NC(=O)[C@@H]1CCSC1)C(=O)[O-]	ZINC000909771771	613881788	/nfs/dbraw/zinc/88/17/88/613881788.db2.gz	PSRMLVBBXJBOKG-RKDXNWHRSA-N	-1	0	259.327	0.512	20	30		CCEDRM
C=CCOC[C@@H](NC(=O)[C@H]1CCCS1)C(=O)[O-]	ZINC000909770333	613881915	/nfs/dbraw/zinc/88/19/15/613881915.db2.gz	FKTOIQSBQRYLRX-RKDXNWHRSA-N	-1	0	259.327	0.654	20	30		CCEDRM
C=CCOC[C@@H](NC(=O)c1cn2c(n1)CCCC2)C(=O)[O-]	ZINC000909767070	613881927	/nfs/dbraw/zinc/88/19/27/613881927.db2.gz	LHBODBBJWNWYDZ-LLVKDONJSA-N	-1	0	293.323	0.605	20	30		CCEDRM
C=CCOC[C@H](NC(=O)[C@@]1(C)CCOC1)C(=O)[O-]	ZINC000909772891	613882619	/nfs/dbraw/zinc/88/26/19/613882619.db2.gz	XRDPIWUKKMBQEV-CABZTGNLSA-N	-1	0	257.286	0.185	20	30		CCEDRM
C=CCOC[C@H](NC(=O)[C@H]1CCCC[C@@H]1OC)C(=O)[O-]	ZINC000909772874	613882620	/nfs/dbraw/zinc/88/26/20/613882620.db2.gz	XKSGBXPKXIGMAM-SRVKXCTJSA-N	-1	0	285.340	0.964	20	30		CCEDRM
C=CCOC[C@H](NC(=O)[C@]1(C)CCOC1)C(=O)[O-]	ZINC000909772892	613882637	/nfs/dbraw/zinc/88/26/37/613882637.db2.gz	XRDPIWUKKMBQEV-JOYOIKCWSA-N	-1	0	257.286	0.185	20	30		CCEDRM
C=CCOC[C@H](NC(=O)c1cc(C2CC2)nn1C)C(=O)[O-]	ZINC000907669756	613882680	/nfs/dbraw/zinc/88/26/80/613882680.db2.gz	QKEYAIYOZZBRJD-NSHDSACASA-N	-1	0	293.323	0.683	20	30		CCEDRM
C=CCO[N-]C(=O)C(C)(C)NC(=O)C(C)(C)NC(C)=O	ZINC000861924574	613883003	/nfs/dbraw/zinc/88/30/03/613883003.db2.gz	SCSLALMQGHPDDK-UHFFFAOYSA-N	-1	0	285.344	0.030	20	30		CCEDRM
C=CCO[N-]C(=O)C(C)(C)NC(=O)COC(C)(C)C	ZINC000846248961	613883022	/nfs/dbraw/zinc/88/30/22/613883022.db2.gz	JUVSXPNVALBKTN-UHFFFAOYSA-N	-1	0	272.345	0.930	20	30		CCEDRM
C=CCO[N-]C(=O)CN1C(=O)[C@@H]2CC=CC[C@@H]2C1=O	ZINC000837049686	613883144	/nfs/dbraw/zinc/88/31/44/613883144.db2.gz	NINASYLILIDBIA-AOOOYVTPSA-N	-1	0	264.281	0.171	20	30		CCEDRM
C=CCO[N-]C(=O)CNC(=O)N1CCc2ccccc2C1	ZINC000837046863	613883160	/nfs/dbraw/zinc/88/31/60/613883160.db2.gz	RCMHUQKLAPTZBB-UHFFFAOYSA-N	-1	0	289.335	0.988	20	30		CCEDRM
C=CCO[N-]C(=O)[C@@H]1CSCN1C(=O)CCC	ZINC000837046424	613884428	/nfs/dbraw/zinc/88/44/28/613884428.db2.gz	ILBAGJHNEPUZRB-VIFPVBQESA-N	-1	0	258.343	0.922	20	30		CCEDRM
C=CCO[N-]C(=O)[C@H]1CSCN1C(=O)CCC	ZINC000837046423	613884483	/nfs/dbraw/zinc/88/44/83/613884483.db2.gz	ILBAGJHNEPUZRB-SECBINFHSA-N	-1	0	258.343	0.922	20	30		CCEDRM
C=CCO[N-]C(=O)[C@H]1OCC(=O)N(C)[C@@H]1c1cccnc1	ZINC000854852436	613884591	/nfs/dbraw/zinc/88/45/91/613884591.db2.gz	NKXFONVMIFSPRM-OLZOCXBDSA-N	-1	0	291.307	0.214	20	30		CCEDRM
C=CCOc1cccnc1C(=O)N[C@H]1CCN(O)C1=O	ZINC000820150210	613884990	/nfs/dbraw/zinc/88/49/90/613884990.db2.gz	WKMVFNKRYYZGIE-VIFPVBQESA-N	-1	0	277.280	0.366	20	30		CCEDRM
C=CCS(=O)(=O)[N-]C(=O)C1(F)CCOCC1	ZINC000870257610	613886108	/nfs/dbraw/zinc/88/61/08/613886108.db2.gz	BTWPVDNBOQHHJL-UHFFFAOYSA-N	-1	0	251.279	0.137	20	30		CCEDRM
CC(C)C(=O)N[C@@H](CO)C(=O)Nc1cc(C#N)ccc1[O-]	ZINC000813500311	613913964	/nfs/dbraw/zinc/91/39/64/613913964.db2.gz	CGUVELYGKOTADT-NSHDSACASA-N	-1	0	291.307	0.335	20	30		CCEDRM
CC(C)(C)n1cnc(C(=O)N[C@H]2CCCN(O)C2=O)n1	ZINC000848132229	614064588	/nfs/dbraw/zinc/06/45/88/614064588.db2.gz	IRTBYWKLMXZUBR-QMMMGPOBSA-N	-1	0	281.316	0.143	20	30		CCEDRM
CC(C)S(=O)(=O)[N-]C(=O)Cc1cccc(OCC#N)c1	ZINC000810556218	614068778	/nfs/dbraw/zinc/06/87/78/614068778.db2.gz	DPLOCYYPJZVECK-UHFFFAOYSA-N	-1	0	296.348	0.986	20	30		CCEDRM
CC(C)(NC(=O)CC1(C#N)CCOCC1)C(=O)[O-]	ZINC000902203410	614165043	/nfs/dbraw/zinc/16/50/43/614165043.db2.gz	ZBCDZDBSTLKGFD-UHFFFAOYSA-N	-1	0	254.286	0.676	20	30		CCEDRM
CC(C)[C@@](C)(C#N)NC(=O)CN1CCO[C@H](CC(=O)[O-])C1	ZINC000826676827	614180348	/nfs/dbraw/zinc/18/03/48/614180348.db2.gz	KWWNGCXHHRPXEM-BXUZGUMPSA-N	-1	0	297.355	0.216	20	30		CCEDRM
CC(C)(O)CNN=Cc1ccc(OCC(=O)[O-])cc1	ZINC000863140923	614194319	/nfs/dbraw/zinc/19/43/19/614194319.db2.gz	XIZVHSWOFCYKIL-UHFFFAOYSA-N	-1	0	266.297	0.844	20	30		CCEDRM
CC(C)(O)CNN=Cc1cc([N+](=O)[O-])ccc1[O-]	ZINC000863140503	614194386	/nfs/dbraw/zinc/19/43/86/614194386.db2.gz	LMUSFEGQDKHPGA-UHFFFAOYSA-N	-1	0	253.258	0.995	20	30		CCEDRM
CC(C)(O)CO[N-]C(=O)CNc1ccc(C#N)cn1	ZINC000834621780	614195609	/nfs/dbraw/zinc/19/56/09/614195609.db2.gz	LAOJKYKHYBPTJM-UHFFFAOYSA-N	-1	0	264.285	0.184	20	30		CCEDRM
CC(C)C[C@@H](O)CNC(=O)[C@@](C)(C#N)CC(=O)[O-]	ZINC000819976751	614196961	/nfs/dbraw/zinc/19/69/61/614196961.db2.gz	AISYCQDLSRUVMD-BXKDBHETSA-N	-1	0	256.302	0.514	20	30		CCEDRM
CC(C)[C@H](C)NC(=O)COC(=O)[C@@](C)(C#N)CC(=O)[O-]	ZINC000819954935	614205137	/nfs/dbraw/zinc/20/51/37/614205137.db2.gz	DHVIRLFZJMQIQU-TVQRCGJNSA-N	-1	0	284.312	0.695	20	30		CCEDRM
CC(C)Cn1[n-]c(CC(=O)NC[C@@H](C)C#N)cc1=O	ZINC000932471728	614236254	/nfs/dbraw/zinc/23/62/54/614236254.db2.gz	JJDCNYFHFQFFSJ-JTQLQIEISA-N	-1	0	264.329	0.651	20	30		CCEDRM
CC(C)N(CC(=O)[O-])CC(=O)N[C@@](C)(C#N)C1CC1	ZINC000820009399	614288057	/nfs/dbraw/zinc/28/80/57/614288057.db2.gz	AFPMVQYFWPKIRU-ZDUSSCGKSA-N	-1	0	267.329	0.590	20	30		CCEDRM
CC(C)n1nccc1C(=O)N(CC#N)CC(=O)[O-]	ZINC000827206813	614371414	/nfs/dbraw/zinc/37/14/14/614371414.db2.gz	DTIGQYJMUNXLCP-UHFFFAOYSA-N	-1	0	250.258	0.514	20	30		CCEDRM
CC1(C#N)CN(S(=O)(=O)c2ccc(CC(=O)[O-])cc2)C1	ZINC000926540672	614422527	/nfs/dbraw/zinc/42/25/27/614422527.db2.gz	NLMHPNILDRQZBM-UHFFFAOYSA-N	-1	0	294.332	0.848	20	30		CCEDRM
CCC(C#N)(CC)C(=O)N1CCO[C@@H](C(=O)[O-])C1	ZINC000901450996	614470578	/nfs/dbraw/zinc/47/05/78/614470578.db2.gz	HAHKDIVXOQNSJE-SECBINFHSA-N	-1	0	254.286	0.628	20	30		CCEDRM
CCCCc1noc(Cn2cnc(-c3nnn[n-]3)c2C#N)n1	ZINC000825296311	614492687	/nfs/dbraw/zinc/49/26/87/614492687.db2.gz	DALOWRXYHPRTHW-UHFFFAOYSA-N	-1	0	299.298	0.709	20	30		CCEDRM
CC1(C)C[C@H]1C(=O)[N-]S(=O)(=O)c1cncc(C#N)c1	ZINC000813983714	614792021	/nfs/dbraw/zinc/79/20/21/614792021.db2.gz	CGZZTRXQGJSPPO-JTQLQIEISA-N	-1	0	279.321	0.804	20	30		CCEDRM
CC1(C)OC[C@@H]2C[C@@]21C(=O)[N-]S(=O)(=O)CCC#N	ZINC000851016493	614829531	/nfs/dbraw/zinc/82/95/31/614829531.db2.gz	VRRUXJIWXQCWFT-KWQFWETISA-N	-1	0	272.326	0.161	20	30		CCEDRM
CCCNC(=O)[C@H](C)OC(=O)[C@](C)(C#N)CC(=O)[O-]	ZINC000820321092	614873539	/nfs/dbraw/zinc/87/35/39/614873539.db2.gz	GVAQUSRAAMSEIX-UFBFGSQYSA-N	-1	0	270.285	0.449	20	30		CCEDRM
CC1(OCC(=O)[N-]S(=O)(=O)CC2(C#N)CC2)CCC1	ZINC000793203897	614933990	/nfs/dbraw/zinc/93/39/90/614933990.db2.gz	DEZLFENAGNSCSX-UHFFFAOYSA-N	-1	0	286.353	0.695	20	30		CCEDRM
CCCSCC(=O)[N-]S(=O)(=O)c1cncc(C#N)c1	ZINC000813980923	614970230	/nfs/dbraw/zinc/97/02/30/614970230.db2.gz	OVCNLUAGFKLQSR-UHFFFAOYSA-N	-1	0	299.377	0.901	20	30		CCEDRM
CCN(CC)C(=O)[C@H](C)OC(=O)[C@@](C)(C#N)CC(=O)[O-]	ZINC000820338717	614986145	/nfs/dbraw/zinc/98/61/45/614986145.db2.gz	PLLZPPJQEVQHML-TVQRCGJNSA-N	-1	0	284.312	0.791	20	30		CCEDRM
CC1CC(C#N)(C(=O)NCCSCC(=O)[O-])C1	ZINC000828149086	615011077	/nfs/dbraw/zinc/01/10/77/615011077.db2.gz	GUPIFUXEEKLUDR-UHFFFAOYSA-N	-1	0	256.327	0.860	20	30		CCEDRM
CCOC(=O)CS(=O)(=O)[N-]C(=O)c1ccc(C#N)cc1	ZINC000838849048	615201298	/nfs/dbraw/zinc/20/12/98/615201298.db2.gz	DLUGYNFQAFMLFF-UHFFFAOYSA-N	-1	0	296.304	0.181	20	30		CCEDRM
CCOCCCC(=O)N1CCN(C(=O)[O-])C[C@@H]1C#N	ZINC000827393995	615237663	/nfs/dbraw/zinc/23/76/63/615237663.db2.gz	JVYHBSBIGOWUSL-JTQLQIEISA-N	-1	0	269.301	0.517	20	30		CCEDRM
CCOCCCNC(=O)C(C#N)=C([O-])c1conc1C	ZINC000860461292	615246002	/nfs/dbraw/zinc/24/60/02/615246002.db2.gz	HYMKFSAFRXYWJF-SNVBAGLBSA-N	-1	0	279.296	0.848	20	30		CCEDRM
CCOCCS(=O)(=O)[N-]C(=O)c1ccc(C#N)cc1	ZINC000111980959	615297305	/nfs/dbraw/zinc/29/73/05/615297305.db2.gz	OFDHPZRMWSKACS-UHFFFAOYSA-N	-1	0	282.321	0.654	20	30		CCEDRM
CC[C@@H](/N=C\c1c(O)c(C)ncc1CO)C(=O)[O-]	ZINC000818261664	615365063	/nfs/dbraw/zinc/36/50/63/615365063.db2.gz	VMMZSRATBUUVRX-UVDMMCPBSA-N	-1	0	252.270	0.870	20	30		CCEDRM
CCO[N-]C(=O)CNC(=O)Nc1ccc(C#N)c(F)c1	ZINC000844668750	615367264	/nfs/dbraw/zinc/36/72/64/615367264.db2.gz	YUXKKAJSQUGLDO-UHFFFAOYSA-N	-1	0	280.259	0.887	20	30		CCEDRM
CCOC(=O)[C@H]1CCCN(C(=O)[C@@](C)(C#N)CC(=O)[O-])C1	ZINC000820364590	615370220	/nfs/dbraw/zinc/37/02/20/615370220.db2.gz	OPRMUPTZHLCZRQ-IINYFYTJSA-N	-1	0	296.323	0.793	20	30		CCEDRM
CCOC(=O)c1cc(C=NN[C@@H](CC)C(=O)[O-])[nH]n1	ZINC000842533690	615401678	/nfs/dbraw/zinc/40/16/78/615401678.db2.gz	VKXFBMSGHTZIHH-QMMMGPOBSA-N	-1	0	268.273	0.373	20	30		CCEDRM
CCOc1ccc(/C=N/CC(=O)[N-]OC)c(O)c1	ZINC000899226947	615508617	/nfs/dbraw/zinc/50/86/17/615508617.db2.gz	BUJMXBPEAAKOPG-NTUHNPAUSA-N	-1	0	252.270	0.887	20	30		CCEDRM
CC[C@@H](OC)C(=O)N1CCN(C(=O)[O-])C[C@@H]1C#N	ZINC000826631493	615545755	/nfs/dbraw/zinc/54/57/55/615545755.db2.gz	KNEFECUWZJDWRK-DTWKUNHWSA-N	-1	0	255.274	0.126	20	30		CCEDRM
CC[C@@H]1CC[C@H](C(=O)N2CCN(C(=O)[O-])C[C@H]2C#N)O1	ZINC000826662577	615556047	/nfs/dbraw/zinc/55/60/47/615556047.db2.gz	YUHOBOBUCRQASV-GMTAPVOTSA-N	-1	0	281.312	0.658	20	30		CCEDRM
CC[C@H](C#N)C(=O)N1CCSC[C@H]1c1nnn[n-]1	ZINC000907479954	615599750	/nfs/dbraw/zinc/59/97/50/615599750.db2.gz	JVYDTWIHJKTCJI-SFYZADRCSA-N	-1	0	266.330	0.366	20	30		CCEDRM
CCc1ccc(C#CC(=O)NCC(=O)[N-]OC)cc1	ZINC000832749237	615660383	/nfs/dbraw/zinc/66/03/83/615660383.db2.gz	QPKHBYMEOIVQDH-UHFFFAOYSA-N	-1	0	260.293	0.394	20	30		CCEDRM
CCn1ncc(C([O-])=C(C#N)C(=O)NC2CC2)c1C	ZINC000870142270	615694530	/nfs/dbraw/zinc/69/45/30/615694530.db2.gz	HUCIVDLRJLKHDI-SNVBAGLBSA-N	-1	0	260.297	0.813	20	30		CCEDRM
CCc1nc(CCNC(=O)[C@](C)(C#N)CC(=O)[O-])no1	ZINC000820492760	615740486	/nfs/dbraw/zinc/74/04/86/615740486.db2.gz	PRODNNPCXUWSLO-LBPRGKRZSA-N	-1	0	280.284	0.295	20	30		CCEDRM
CN(C(=O)[O-])[C@H]1CCN(S(=O)(=O)CCCCC#N)C1	ZINC000827893651	615845650	/nfs/dbraw/zinc/84/56/50/615845650.db2.gz	AIXZWSDYDXNLBV-JTQLQIEISA-N	-1	0	289.357	0.694	20	30		CCEDRM
CCc1nocc1C([O-])=C(C#N)C(=O)NCCOC	ZINC000860468402	615862708	/nfs/dbraw/zinc/86/27/08/615862708.db2.gz	JERBGHNZYDVFFN-MRVPVSSYSA-N	-1	0	265.269	0.322	20	30		CCEDRM
CC[S@@](C)(=O)=NS(=O)(=O)[N-]CC(C)(C)C#N	ZINC000867081102	616010433	/nfs/dbraw/zinc/01/04/33/616010433.db2.gz	URUAELVYXWQPIP-OAHLLOKOSA-N	-1	0	267.376	0.488	20	30		CCEDRM
CN(CC(=O)N1CCCC1)C(=O)[C@](C)(C#N)CC(=O)[O-]	ZINC000820554557	616043100	/nfs/dbraw/zinc/04/31/00/616043100.db2.gz	VUOPIYYPJGBRHL-ZDUSSCGKSA-N	-1	0	281.312	0.072	20	30		CCEDRM
CN1CCC(=NNc2ccc(CC(=O)[O-])cc2)C1=O	ZINC000848415146	616165444	/nfs/dbraw/zinc/16/54/44/616165444.db2.gz	XQVMJJSWVMGEOR-UHFFFAOYSA-N	-1	0	261.281	0.944	20	30		CCEDRM
CN(Cc1ccccc1)C(=O)C(C#N)=C([O-])c1ncn(C)n1	ZINC000810709571	616169880	/nfs/dbraw/zinc/16/98/80/616169880.db2.gz	DRFNWKRNEJMIME-GFCCVEGCSA-N	-1	0	297.318	0.796	20	30		CCEDRM
CN1CCC[C@H](N[C@H](C(=O)[O-])c2cccc(C#N)c2)C1=O	ZINC000830934305	616208478	/nfs/dbraw/zinc/20/84/78/616208478.db2.gz	DZJQVWOEYHUCKQ-STQMWFEESA-N	-1	0	287.319	0.894	20	30		CCEDRM
COC(C)(C)CC(=O)[N-]S(=O)(=O)c1cncc(C#N)c1	ZINC000813982934	616286995	/nfs/dbraw/zinc/28/69/95/616286995.db2.gz	ZSRYBMCCPWGENU-UHFFFAOYSA-N	-1	0	297.336	0.573	20	30		CCEDRM
COC/C(C)=C\C(=O)[N-]S(=O)(=O)CC(C)(C)C#N	ZINC000845503218	616383275	/nfs/dbraw/zinc/38/32/75/616383275.db2.gz	SBPXZVZTJSNQMZ-UITAMQMPSA-N	-1	0	274.342	0.575	20	30		CCEDRM
COCCNC(=O)C(C#N)=C([O-])c1conc1C	ZINC000860467444	616492420	/nfs/dbraw/zinc/49/24/20/616492420.db2.gz	BEHACCXOYSGYFW-QMMMGPOBSA-N	-1	0	251.242	0.068	20	30		CCEDRM
COCCNC(=O)C(C#N)=C([O-])c1cccc(C#N)n1	ZINC000810529960	616496527	/nfs/dbraw/zinc/49/65/27/616496527.db2.gz	RWGBVJKGJXFZDJ-SNVBAGLBSA-N	-1	0	272.264	0.038	20	30		CCEDRM
COCCNC(=O)C(C#N)=C([O-])c1ccc(C)c(C#N)c1	ZINC000799602511	616496528	/nfs/dbraw/zinc/49/65/28/616496528.db2.gz	SOGJSHAKXWCFQN-CYBMUJFWSA-N	-1	0	285.303	0.952	20	30		CCEDRM
COCCNC(=O)C(C#N)=C([O-])c1cc(C)cc(C)n1	ZINC000802041161	616496662	/nfs/dbraw/zinc/49/66/62/616496662.db2.gz	WZJMJWKRSADBEH-LLVKDONJSA-N	-1	0	275.308	0.784	20	30		CCEDRM
COCCO[N-]C(=O)C(=O)N[C@H](C)c1cccc(C#N)c1	ZINC000804402447	616572194	/nfs/dbraw/zinc/57/21/94/616572194.db2.gz	KSBNJBFNEDOBPI-SNVBAGLBSA-N	-1	0	291.307	0.430	20	30		CCEDRM
COCC(C)(C)C(=O)[N-]S(=O)(=O)CC1(C#N)CC1	ZINC000793197324	616707765	/nfs/dbraw/zinc/70/77/65/616707765.db2.gz	NWNNHGVBEKCDFQ-UHFFFAOYSA-N	-1	0	274.342	0.409	20	30		CCEDRM
CNC(=O)C(C#N)=C([O-])c1ccc(OCC(F)F)nc1	ZINC000156139257	616777126	/nfs/dbraw/zinc/77/71/26/616777126.db2.gz	DKQXSJWSSLKIRT-QMMMGPOBSA-N	-1	0	283.234	0.794	20	30		CCEDRM
CNC(=O)C(C#N)=C([O-])c1cn(Cc2ccccc2)nn1	ZINC000917001911	616778062	/nfs/dbraw/zinc/77/80/62/616778062.db2.gz	BEHQOWRDZZCGFU-NSHDSACASA-N	-1	0	283.291	0.395	20	30		CCEDRM
COCC1(S(=O)(=O)[N-]C(=O)c2cc(C#N)cn2C)CC1	ZINC000811155194	616801166	/nfs/dbraw/zinc/80/11/66/616801166.db2.gz	MYHRERKYIXJGQF-UHFFFAOYSA-N	-1	0	297.336	0.135	20	30		CCEDRM
COC[C@](C)(C#N)NC(=O)[C@@H]1CCC[C@H](NC(=O)[O-])C1	ZINC000828885832	616817673	/nfs/dbraw/zinc/81/76/73/616817673.db2.gz	OXJDXRZXQWBFPM-NRUUGDAUSA-N	-1	0	283.328	0.858	20	30		CCEDRM
COC(=O)c1cc(C(=O)[N-]S(=O)(=O)CCCC#N)c[nH]1	ZINC000816005750	616825082	/nfs/dbraw/zinc/82/50/82/616825082.db2.gz	YCJDZWSXEQAHKZ-UHFFFAOYSA-N	-1	0	299.308	0.165	20	30		CCEDRM
COC[C@](C)(O)C(=O)O[C@@H](C(=O)[O-])c1cccc(C#N)c1	ZINC000831638536	616839120	/nfs/dbraw/zinc/83/91/20/616839120.db2.gz	YYUCJOQWMFBMKR-RISCZKNCSA-N	-1	0	293.275	0.625	20	30		CCEDRM
CNC(=O)C(C#N)=C([O-])c1cc(OC)c(OC)c(OC)c1	ZINC000917002686	616839348	/nfs/dbraw/zinc/83/93/48/616839348.db2.gz	SDWNSBUFVHIUDC-SECBINFHSA-N	-1	0	292.291	0.781	20	30		CCEDRM
CO[C@@H]1C[C@H](NC(=O)[C@@](C)(C#N)CC(=O)[O-])C1(C)C	ZINC000820702785	616871784	/nfs/dbraw/zinc/87/17/84/616871784.db2.gz	FVEKZQSJLGXUNR-IGJMFERPSA-N	-1	0	268.313	0.921	20	30		CCEDRM
COCCCOCCC(=O)[N-]S(=O)(=O)CCCC#N	ZINC000850926431	616917354	/nfs/dbraw/zinc/91/73/54/616917354.db2.gz	MJNUNWLJCZXNSC-UHFFFAOYSA-N	-1	0	292.357	0.179	20	30		CCEDRM
COC(=O)c1ccc(O)c(C=NN(C)C[C@H](C)O)c1	ZINC000841655689	616918627	/nfs/dbraw/zinc/91/86/27/616918627.db2.gz	YCQXIDWGZIMXRV-VIFPVBQESA-N	-1	0	266.297	0.825	20	30		CCEDRM
COCCCO[N-]C(=O)[C@H](O)c1ccc(C#N)cc1	ZINC000805039120	616924464	/nfs/dbraw/zinc/92/44/64/616924464.db2.gz	SWZYPDICPHODFV-GFCCVEGCSA-N	-1	0	264.281	0.676	20	30		CCEDRM
COC[C@@H](OC)C(=O)[N-]S(=O)(=O)c1ccc(C#N)cc1	ZINC000850733010	616933124	/nfs/dbraw/zinc/93/31/24/616933124.db2.gz	HFQJAYOGFWHDGB-LLVKDONJSA-N	-1	0	298.320	0.025	20	30		CCEDRM
COC(=O)c1ccoc1CN(CC#N)CC(=O)[O-]	ZINC000831457823	616951121	/nfs/dbraw/zinc/95/11/21/616951121.db2.gz	ZHKOGBVHOXVDPT-UHFFFAOYSA-N	-1	0	252.226	0.476	20	30		CCEDRM
COC[C@@](C)(C#N)NC(=O)CN(C(=O)[O-])C1CC1	ZINC000833883352	617011192	/nfs/dbraw/zinc/01/11/92/617011192.db2.gz	XNZUKOJQJMBZFU-LLVKDONJSA-N	-1	0	255.274	0.174	20	30		CCEDRM
COCCN(CCNC(=O)NCC(C)(C)C#N)C(=O)[O-]	ZINC000833885799	617016199	/nfs/dbraw/zinc/01/61/99/617016199.db2.gz	KQSLVLODOSKNQV-UHFFFAOYSA-N	-1	0	286.332	0.462	20	30		CCEDRM
CO[C@H](C)CS(=O)(=O)[N-]C(=O)CC1(C#N)CC1	ZINC000816049659	617076015	/nfs/dbraw/zinc/07/60/15/617076015.db2.gz	QDZIQLFRNAGTTF-MRVPVSSYSA-N	-1	0	260.315	0.161	20	30		CCEDRM
COC[C@H](C)NC(=S)NN=Cc1cc(C(=O)[O-])co1	ZINC000901137320	617077831	/nfs/dbraw/zinc/07/78/31/617077831.db2.gz	FKVVDAKFAVSHRT-ZETCQYMHSA-N	-1	0	285.325	0.811	20	30		CCEDRM
CO[C@H]1CCC[C@H](C(=O)[N-]S(=O)(=O)CCCC#N)C1	ZINC000816005573	617098434	/nfs/dbraw/zinc/09/84/34/617098434.db2.gz	RPUXIRHBSSXPJX-QWRGUYRKSA-N	-1	0	288.369	0.941	20	30		CCEDRM
CO[N-]C(=O)CNC(=O)Cc1ccccc1CC#N	ZINC000832757206	617110900	/nfs/dbraw/zinc/11/09/00/617110900.db2.gz	AKNTWRCERAKWJL-UHFFFAOYSA-N	-1	0	261.281	0.089	20	30		CCEDRM
CO[C@@H]1CCCN(C(=O)[C@@](C)(C#N)CC(=O)[O-])C1	ZINC000820702928	617172268	/nfs/dbraw/zinc/17/22/68/617172268.db2.gz	JWYRBJBIRAVVCQ-BXKDBHETSA-N	-1	0	254.286	0.628	20	30		CCEDRM
N#Cc1cccc(N2CCN(c3cc(=O)[nH]cn3)CC2)n1	ZINC000893184187	625367020	/nfs/dbraw/zinc/36/70/20/625367020.db2.gz	WJVWDVCFKZKXDT-UHFFFAOYSA-N	-1	0	282.307	0.775	20	30		CCEDRM
CNC(=O)C(C#N)=C([O-])c1cc(C)cc([N+](=O)[O-])c1	ZINC000121787145	622692250	/nfs/dbraw/zinc/69/22/50/622692250.db2.gz	XFVSXZMHWWKNCY-SNVBAGLBSA-N	-1	0	261.237	0.972	20	30		CCEDRM
Cc1nc(N2CCO[C@H](C#N)C2)sc1C(=O)[O-]	ZINC000156117518	623465891	/nfs/dbraw/zinc/46/58/91/623465891.db2.gz	RHKSGUWSPBCNBO-SSDOTTSWSA-N	-1	0	253.283	0.879	20	30		CCEDRM
C#CCCCCNC(=O)N[C@H](CCOC)C(=O)[O-]	ZINC000229758513	623562696	/nfs/dbraw/zinc/56/26/96/623562696.db2.gz	HEHHLIXSSZHNSB-SNVBAGLBSA-N	-1	0	256.302	0.579	20	30		CCEDRM
Cc1cnn(C)c1S(=O)(=O)[N-]C(=O)[C@H](C)CC#N	ZINC000851042770	623630420	/nfs/dbraw/zinc/63/04/20/623630420.db2.gz	RPGDGXLBSBWJBC-SSDOTTSWSA-N	-1	0	270.314	0.083	20	30		CCEDRM
C[C@@H]1CO[C@@H](C(=O)C(C#N)=C([O-])c2nccn2C)C1	ZINC000892863828	623856577	/nfs/dbraw/zinc/85/65/77/623856577.db2.gz	OEAGKSLUVQSTPK-IVZWLZJFSA-N	-1	0	261.281	0.737	20	30		CCEDRM
Cc1n[nH]c(C(=O)NCC#C[C@@H]2CCCCO2)c1[O-]	ZINC000891124335	624732610	/nfs/dbraw/zinc/73/26/10/624732610.db2.gz	JEHMRFPQOBRIBL-JTQLQIEISA-N	-1	0	263.297	0.726	20	30		CCEDRM
C#CCCCCC(=O)N1CCOC[C@H]1CC(=O)[O-]	ZINC000236432398	625010212	/nfs/dbraw/zinc/01/02/12/625010212.db2.gz	YXNPVYPVIJJTPW-LLVKDONJSA-N	-1	0	253.298	0.882	20	30		CCEDRM
C[C@@H]1CN(S(=O)(=O)CCCC#N)C[C@H]1CC(=O)[O-]	ZINC000903873650	634673849	/nfs/dbraw/zinc/67/38/49/634673849.db2.gz	WEFIHDCBPMWXQC-NXEZZACHSA-N	-1	0	274.342	0.663	20	30		CCEDRM
C#CC[C@H](NC(=O)[C@@H]1[C@H](C)O[C@H](C)[C@H]1C)C(=O)[O-]	ZINC000252703335	631913507	/nfs/dbraw/zinc/91/35/07/631913507.db2.gz	VYYJAUGSZCUUIM-UVOCVTCTSA-N	-1	0	253.298	0.639	20	30		CCEDRM
C#Cc1cccc(NC(=O)N[C@H](COC)C(=O)[O-])c1	ZINC000167553653	632341900	/nfs/dbraw/zinc/34/19/00/632341900.db2.gz	BDAHBQDOHAPRLO-LLVKDONJSA-N	-1	0	262.265	0.889	20	30		CCEDRM
C[C@@H]1CN(C(=O)C2(C#N)CCOCC2)C[C@H]1CC(=O)[O-]	ZINC000910869790	635851599	/nfs/dbraw/zinc/85/15/99/635851599.db2.gz	UWECEYOSLHRSDI-GHMZBOCLSA-N	-1	0	280.324	0.876	20	30		CCEDRM
C#CC1(NC(=O)c2cccc(-n3[n-]nnc3=N)c2)CCCC1	ZINC000899224512	633764739	/nfs/dbraw/zinc/76/47/39/633764739.db2.gz	QRDGRTQFKJVMBE-UHFFFAOYSA-N	-1	0	296.334	0.751	20	30		CCEDRM
N#CCCCS(=O)(=O)N1C[C@@H]2CC[C@]2(C(=O)[O-])C1	ZINC000899950738	633927792	/nfs/dbraw/zinc/92/77/92/633927792.db2.gz	KBZSMCRMFSNELX-ONGXEEELSA-N	-1	0	272.326	0.417	20	30		CCEDRM
Cc1ccc(C=NNC2=NC[C@@H](C)N2)cc1C(=O)[O-]	ZINC000901216359	634209775	/nfs/dbraw/zinc/20/97/75/634209775.db2.gz	QNMBCOYDBBFLLR-SECBINFHSA-N	-1	0	260.297	0.964	20	30		CCEDRM
Cn1nc(C(=O)[O-])cc1C=NN[C@H]1CCCOC1	ZINC000901222603	634215506	/nfs/dbraw/zinc/21/55/06/634215506.db2.gz	MVTIANARBWLAQJ-QMMMGPOBSA-N	-1	0	252.274	0.221	20	30		CCEDRM
N#CC[C@H](NS(=O)(=O)c1cn[nH]c1)C(F)(F)F	ZINC000901773430	634275499	/nfs/dbraw/zinc/27/54/99/634275499.db2.gz	ONUWPNJQZRGECR-LURJTMIESA-N	-1	0	268.220	0.533	20	30		CCEDRM
Cc1cc(C#N)cc(C)c1CC(=O)NCCOCC(=O)[O-]	ZINC000902297634	634359544	/nfs/dbraw/zinc/35/95/44/634359544.db2.gz	QJDOBXWKOBPDON-UHFFFAOYSA-N	-1	0	290.319	0.935	20	30		CCEDRM
N#CCCS(=O)(=O)CCC[N-]C(=O)C(F)(F)F	ZINC000905266541	634831089	/nfs/dbraw/zinc/83/10/89/634831089.db2.gz	RQBDOZNDTJASNB-UHFFFAOYSA-N	-1	0	272.248	0.383	20	30		CCEDRM
C[C@@H](C(=O)N(C)C)S(=O)(=O)[N-]c1sccc1C#N	ZINC000906068919	634955868	/nfs/dbraw/zinc/95/58/68/634955868.db2.gz	PKOBWZOEBMADMC-ZETCQYMHSA-N	-1	0	287.366	0.838	20	30		CCEDRM
C#CCCCCC(=O)N1CCC[C@@H](O)[C@@H]1C(=O)[O-]	ZINC000911634380	636323753	/nfs/dbraw/zinc/32/37/53/636323753.db2.gz	IARNZSSHSIDIDN-ZYHUDNBSSA-N	-1	0	253.298	0.617	20	30		CCEDRM
C#CCCCOC(=O)c1coc(S(=O)(=O)NC)c1	ZINC000165708899	636911017	/nfs/dbraw/zinc/91/10/17/636911017.db2.gz	CWLGPHSUZHRRRM-UHFFFAOYSA-N	-1	0	271.294	0.758	20	30		CCEDRM
C#CCCCCNC(=O)N(CCOC)CC(=O)[O-]	ZINC000227462222	637026514	/nfs/dbraw/zinc/02/65/14/637026514.db2.gz	ZUWBMOAZJJXDER-UHFFFAOYSA-N	-1	0	256.302	0.533	20	30		CCEDRM
C#CCCCCNC(=O)N1C[C@H](O)C[C@@H]1C(=O)[O-]	ZINC000227461067	637026705	/nfs/dbraw/zinc/02/67/05/637026705.db2.gz	SLOVLTDNQAGULW-NXEZZACHSA-N	-1	0	254.286	0.019	20	30		CCEDRM
Cn1c(C#N)ccc1C(=O)[N-]S(=O)(=O)CC1CC1	ZINC000835158242	637711806	/nfs/dbraw/zinc/71/18/06/637711806.db2.gz	IYSBUFAGMCAPCH-UHFFFAOYSA-N	-1	0	267.310	0.366	20	30		CCEDRM
Cc1nnc([S-])n(N=Cc2cccc3c2OCO3)c1=O	ZINC000915944661	637880129	/nfs/dbraw/zinc/88/01/29/637880129.db2.gz	HOFYGZNBOUWRJH-UHFFFAOYSA-N	-1	0	290.304	0.846	20	30		CCEDRM
N#CC(C(=O)N1CCCC1)=C([O-])c1cnn2cccnc12	ZINC000916869793	637930273	/nfs/dbraw/zinc/93/02/73/637930273.db2.gz	RTTFYIUVWYQKTB-JTQLQIEISA-N	-1	0	283.291	0.674	20	30		CCEDRM
N#CC(C(=O)NC1CC1)=C([O-])c1ccc2c(c1)OCC(=O)N2	ZINC000916927599	637931981	/nfs/dbraw/zinc/93/19/81/637931981.db2.gz	YGAHUFSKXGJVLB-SNVBAGLBSA-N	-1	0	299.286	0.619	20	30		CCEDRM
COCCNC(=O)C(C#N)=C([O-])c1oc(C)cc1C	ZINC000175102854	638194369	/nfs/dbraw/zinc/19/43/69/638194369.db2.gz	NSYXEFYPXUPREX-SNVBAGLBSA-N	-1	0	264.281	0.982	20	30		CCEDRM
C=CCOCCCC(=O)[N-]S(=O)(=O)CCCC#N	ZINC000181279081	638329142	/nfs/dbraw/zinc/32/91/42/638329142.db2.gz	IDWXFOWYJUPVLK-UHFFFAOYSA-N	-1	0	274.342	0.719	20	30		CCEDRM
CC#CCCCC(=O)[N-]S(=O)(=O)C[C@H]1CCCO1	ZINC000183763550	638613771	/nfs/dbraw/zinc/61/37/71/638613771.db2.gz	YLVNDHKUJHCNBL-LLVKDONJSA-N	-1	0	273.354	0.805	20	30		CCEDRM
C#CCN1CCN(C(=O)c2ccc([N+](=O)[O-])cc2[O-])CC1	ZINC000184777802	638719006	/nfs/dbraw/zinc/71/90/06/638719006.db2.gz	PQVPCDHKFMPNGL-UHFFFAOYSA-N	-1	0	289.291	0.691	20	30		CCEDRM
Cc1cc(C(=O)N[C@H]2CCN(O)C2=O)cc(Cl)n1	ZINC000820142991	638864648	/nfs/dbraw/zinc/86/46/48/638864648.db2.gz	AAFPNRYQWQUIDN-QMMMGPOBSA-N	-1	0	269.688	0.763	20	30		CCEDRM
Cc1nonc1C[N-]S(=O)(=O)c1ccc(C#N)o1	ZINC000805017374	640327677	/nfs/dbraw/zinc/32/76/77/640327677.db2.gz	FWQALMWXFNVAAD-UHFFFAOYSA-N	-1	0	268.254	0.321	20	30		CCEDRM
CC#CCS(=O)(=O)[N-]C(=O)c1oc(C2CC2)nc1C	ZINC000810775139	640949551	/nfs/dbraw/zinc/94/95/51/640949551.db2.gz	VNSOXBJQOBAIRA-UHFFFAOYSA-N	-1	0	282.321	0.943	20	30		CCEDRM
O=C([O-])Cn1cc(C=NNC[C@H]2CCSC2)nn1	ZINC000811657124	640984083	/nfs/dbraw/zinc/98/40/83/640984083.db2.gz	GACPKNYGODKFKP-MRVPVSSYSA-N	-1	0	269.330	0.039	20	30		CCEDRM
C[C@@H](C(=O)[N-]OC/C=C/Cl)n1cnc(C#N)n1	ZINC000812408656	641002794	/nfs/dbraw/zinc/00/27/94/641002794.db2.gz	RQIWZNHTLKPRDY-AIYRYJHASA-N	-1	0	255.665	0.511	20	30		CCEDRM
N#CCCCC(=O)[N-]S(=O)(=O)c1cncc(C#N)c1	ZINC000813979935	641051267	/nfs/dbraw/zinc/05/12/67/641051267.db2.gz	KCTGOFVSCWJTEG-UHFFFAOYSA-N	-1	0	278.293	0.452	20	30		CCEDRM
Cc1ccc2ncc(C=Nn3c(=O)[n-][nH]c3=O)n2c1	ZINC000814231582	641061594	/nfs/dbraw/zinc/06/15/94/641061594.db2.gz	JOESNFUANXYZIB-UHFFFAOYSA-N	-1	0	258.241	0.528	20	30		CCEDRM
O=c1[n-][nH]c(=O)n1N=Cc1cc(-c2cccnc2)n[nH]1	ZINC000814231809	641062216	/nfs/dbraw/zinc/06/22/16/641062216.db2.gz	OCTNBEGEJJNVRK-UHFFFAOYSA-N	-1	0	271.240	0.357	20	30		CCEDRM
Cc1nnc([S-])n(N=C[C@@H]2CCCOC2)c1=O	ZINC000814724262	641074383	/nfs/dbraw/zinc/07/43/83/641074383.db2.gz	KTGGGRLUTIMKTA-QMMMGPOBSA-N	-1	0	254.315	0.496	20	30		CCEDRM
O=C([O-])CNN=Cc1cccc2c1OCCCO2	ZINC000814959164	641084638	/nfs/dbraw/zinc/08/46/38/641084638.db2.gz	RAEOHUUSBNWTAU-UHFFFAOYSA-N	-1	0	250.254	0.856	20	30		CCEDRM
O=C([O-])CNN=C1C(=O)Nc2ccc(Cl)cc21	ZINC000814960327	641084703	/nfs/dbraw/zinc/08/47/03/641084703.db2.gz	OJUPDXKJJBTZMF-UHFFFAOYSA-N	-1	0	253.645	0.670	20	30		CCEDRM
Cc1noc(C)c1S(=O)(=O)[N-]C(=O)CC1(C#N)CC1	ZINC000815894957	641128368	/nfs/dbraw/zinc/12/83/68/641128368.db2.gz	XXODPFPFEDIZMA-UHFFFAOYSA-N	-1	0	283.309	0.790	20	30		CCEDRM
N#CC1(CC(=O)[N-]S(=O)(=O)C[C@H]2CCCO2)CC1	ZINC000816011441	641135935	/nfs/dbraw/zinc/13/59/35/641135935.db2.gz	PBQNLGFDRSUSAJ-SECBINFHSA-N	-1	0	272.326	0.305	20	30		CCEDRM
N#CCc1ccc(C(=O)Nn2c(=O)[n-][nH]c2=O)cc1	ZINC000816731781	641204349	/nfs/dbraw/zinc/20/43/49/641204349.db2.gz	FCAXMBFGYJBSMB-UHFFFAOYSA-N	-1	0	259.225	0.139	20	30		CCEDRM
N#Cc1ccc(CCC(=O)Nn2c(=O)[n-][nH]c2=O)cc1	ZINC000816732534	641205243	/nfs/dbraw/zinc/20/52/43/641205243.db2.gz	LPFAWHSKBKTORZ-UHFFFAOYSA-N	-1	0	273.252	0.264	20	30		CCEDRM
O=C(N[C@H]1CCN(O)C1=O)c1ccc2oc(=S)[n-]c2c1	ZINC000820143639	641471165	/nfs/dbraw/zinc/47/11/65/641471165.db2.gz	LOABPVDHXIFRBR-ZETCQYMHSA-N	-1	0	293.304	0.836	20	30		CCEDRM
O=C(N[C@H]1CCN(O)C1=O)c1cc(F)c([O-])c(F)c1	ZINC000820175228	641479467	/nfs/dbraw/zinc/47/94/67/641479467.db2.gz	VLSXAPHPVYAPNJ-QMMMGPOBSA-N	-1	0	272.207	0.390	20	30		CCEDRM
Cc1ccccc1CC(=O)[N-]S(=O)(=O)CCC#N	ZINC000821583947	641611034	/nfs/dbraw/zinc/61/10/34/641611034.db2.gz	MKNXFYHJVDKSPE-UHFFFAOYSA-N	-1	0	266.322	0.897	20	30		CCEDRM
Cn1cc(-c2nn[nH]n2)c(NC(=O)NCCCCC#N)n1	ZINC000822614635	641688554	/nfs/dbraw/zinc/68/85/54/641688554.db2.gz	PDYHDZIEPVLKSJ-UHFFFAOYSA-N	-1	0	289.303	0.416	20	30		CCEDRM
CC1(C#N)CCN(CC(=O)NCCC(=O)[O-])CC1	ZINC000833551965	642539136	/nfs/dbraw/zinc/53/91/36/642539136.db2.gz	WMVFZMALXFTSHJ-UHFFFAOYSA-N	-1	0	253.302	0.203	20	30		CCEDRM
N#CCCS(=O)(=O)[N-]C(=O)CCSc1ccccn1	ZINC000835410819	642661049	/nfs/dbraw/zinc/66/10/49/642661049.db2.gz	JSIKMNZRVQJKOQ-UHFFFAOYSA-N	-1	0	299.377	0.923	20	30		CCEDRM
C[C@@H](CC(=O)[N-]S(=O)(=O)CC(C)(C)C#N)n1ccnc1	ZINC000845500752	643323508	/nfs/dbraw/zinc/32/35/08/643323508.db2.gz	BLFWWHQOOAPDBR-JTQLQIEISA-N	-1	0	298.368	0.830	20	30		CCEDRM
N#CCCS(=O)(=O)[N-]C(=O)Cc1cn2c(n1)CCCC2	ZINC000845561664	643328485	/nfs/dbraw/zinc/32/84/85/643328485.db2.gz	WYFQHBBRGKKOAU-UHFFFAOYSA-N	-1	0	296.352	0.122	20	30		CCEDRM
CC#CCS(=O)(=O)[N-]C(=O)c1cn(C(C)C)nc1C	ZINC000847699212	643547949	/nfs/dbraw/zinc/54/79/49/643547949.db2.gz	NXNHCWMERIEPSO-UHFFFAOYSA-N	-1	0	283.353	0.855	20	30		CCEDRM
C[C@H](CNc1ccc(S(N)(=O)=O)cc1C#N)C(=O)[O-]	ZINC000848638239	643664227	/nfs/dbraw/zinc/66/42/27/643664227.db2.gz	QYLOEZNBKJNPMZ-SSDOTTSWSA-N	-1	0	283.309	0.338	20	30		CCEDRM
N#CC1(CS(=O)(=O)[N-]C(=O)[C@H]2[C@@H]3COC[C@@H]32)CCCC1	ZINC000850932961	643822813	/nfs/dbraw/zinc/82/28/13/643822813.db2.gz	TUUUCXXOQNHUDP-URLYPYJESA-N	-1	0	298.364	0.409	20	30		CCEDRM
O=C(N[C@H]1CCCN(O)C1=O)c1ccc2oc(=O)nc-2[n-]1	ZINC000854648825	644241455	/nfs/dbraw/zinc/24/14/55/644241455.db2.gz	KOXFPBSDFYREGW-ZETCQYMHSA-N	-1	0	292.251	0.038	20	30		CCEDRM
C[C@@H]1C(=O)N(N=Cc2ccc(C(=O)[O-])[nH]2)C(=O)N1C	ZINC000857214792	644481892	/nfs/dbraw/zinc/48/18/92/644481892.db2.gz	HLHSGWOQTBPFJU-ZCFIWIBFSA-N	-1	0	264.241	0.329	20	30		CCEDRM
C[C@H]1C(=Nn2ccc(=O)[nH]c2=O)CC[C@@H]1CC(=O)[O-]	ZINC000863182372	645067785	/nfs/dbraw/zinc/06/77/85/645067785.db2.gz	JHRZJDHHUJSVRG-HTQZYQBOSA-N	-1	0	265.269	0.674	20	30		CCEDRM
C[C@H]1C(=Nn2ccc(=O)[nH]c2=O)CC[C@H]1CC(=O)[O-]	ZINC000863182374	645068046	/nfs/dbraw/zinc/06/80/46/645068046.db2.gz	JHRZJDHHUJSVRG-SFYZADRCSA-N	-1	0	265.269	0.674	20	30		CCEDRM
Cc1nnc(NN=Cc2ccc(-n3cncn3)cc2)[n-]c1=O	ZINC000863965906	645150073	/nfs/dbraw/zinc/15/00/73/645150073.db2.gz	RCSYKQBBUDIBTL-UHFFFAOYSA-N	-1	0	296.294	0.912	20	30		CCEDRM
Cc1ccn(C[C@@H](C)C(=O)N[C@H]2CCCN(O)C2=O)n1	ZINC000868562228	645786685	/nfs/dbraw/zinc/78/66/85/645786685.db2.gz	DXQMOURRQFZGQJ-KOLCDFICSA-N	-1	0	280.328	0.324	20	30		CCEDRM
N#CCCCS(=O)(=O)[N-]C(=O)[C@]12CCC[C@H]1OCC2	ZINC000870270488	645977079	/nfs/dbraw/zinc/97/70/79/645977079.db2.gz	XHECWPVSULJGPM-PWSUYJOCSA-N	-1	0	286.353	0.695	20	30		CCEDRM
CC#CCS(=O)(=O)[N-]C(=O)c1cn2c(n1)C[C@H](C)CC2	ZINC000870330714	645983537	/nfs/dbraw/zinc/98/35/37/645983537.db2.gz	HKVBKWJZTPUAEP-SNVBAGLBSA-N	-1	0	295.364	0.548	20	30		CCEDRM
N#CCCS(=O)(=O)[N-]C(=O)[C@@H]1C[C@H]1C1CCOCC1	ZINC000870350966	645985052	/nfs/dbraw/zinc/98/50/52/645985052.db2.gz	IFRCMVFBOPVAAH-WDEREUQCSA-N	-1	0	286.353	0.409	20	30		CCEDRM
N#CCC1CN(S(=O)(=O)c2cccc(CC(=O)[O-])c2)C1	ZINC000871982951	646202806	/nfs/dbraw/zinc/20/28/06/646202806.db2.gz	KUSBFFXQOBAHRI-UHFFFAOYSA-N	-1	0	294.332	0.848	20	30		CCEDRM
Cn1cc(C(=O)[N-]S(=O)(=O)c2ccc(C#N)cc2)cn1	ZINC000042304569	649287722	/nfs/dbraw/zinc/28/77/22/649287722.db2.gz	SKAPBRZQXDJZJD-UHFFFAOYSA-N	-1	0	290.304	0.985	20	30		CCEDRM
CS(=O)(=O)[N-]C(=O)c1ccc(N2CCOC2=O)cc1	ZINC000048487095	649322338	/nfs/dbraw/zinc/32/23/38/649322338.db2.gz	DZKWQQOLLKUDQE-UHFFFAOYSA-N	-1	0	284.293	0.907	20	30		CCEDRM
Cc1[nH]nc(C(=O)N(C)[C@@H]2CCCN(CC#N)CC2)c1[O-]	ZINC000948301412	649371091	/nfs/dbraw/zinc/37/10/91/649371091.db2.gz	AEPWFFYFQCHTES-LLVKDONJSA-N	-1	0	291.355	0.874	20	30		CCEDRM
C#CCCCC(=O)[N-]S(=O)(=O)C[C@@H]1CCCCO1	ZINC000191124783	649468044	/nfs/dbraw/zinc/46/80/44/649468044.db2.gz	BGYWKKMIHUEWMR-NSHDSACASA-N	-1	0	273.354	0.805	20	30		CCEDRM
COCCNC(=O)C(C#N)=C([O-])c1ccc([N+](=O)[O-])cc1	ZINC000193410881	649537078	/nfs/dbraw/zinc/53/70/78/649537078.db2.gz	BIEXYMPNTHIFBM-LLVKDONJSA-N	-1	0	291.263	0.680	20	30		CCEDRM
CO[C@H](C)C(=O)[N-]S(=O)(=O)Cc1cccc(C#N)c1	ZINC000195496766	649601988	/nfs/dbraw/zinc/60/19/88/649601988.db2.gz	JOTYVYUYEQFTHW-SECBINFHSA-N	-1	0	282.321	0.539	20	30		CCEDRM
C=CCN(CC(=O)[O-])C(=O)c1ccc(OC)nc1	ZINC000092463311	649723853	/nfs/dbraw/zinc/72/38/53/649723853.db2.gz	AUQZHFCIAMBOQZ-UHFFFAOYSA-N	-1	0	250.254	0.803	20	30		CCEDRM
C#CCN(CC(=O)[O-])S(=O)(=O)c1ccc(OC)c(C)c1	ZINC000092480077	649724410	/nfs/dbraw/zinc/72/44/10/649724410.db2.gz	RZCZULIRTSBCHQ-UHFFFAOYSA-N	-1	0	297.332	0.712	20	30		CCEDRM
C#CC[C@H](NC(=O)[C@H]1[C@@H](C)[C@H](C)O[C@H]1C)C(=O)[O-]	ZINC000252703333	649833755	/nfs/dbraw/zinc/83/37/55/649833755.db2.gz	VYYJAUGSZCUUIM-QHZLYTNSSA-N	-1	0	253.298	0.639	20	30		CCEDRM
C[C@@H](C#N)NS(=O)(=O)c1ccc(C(=O)[O-])cc1	ZINC000071575489	957726764	/nfs/dbraw/zinc/72/67/64/957726764.db2.gz	YTJVJQWPSRCEDD-ZETCQYMHSA-N	-1	0	254.267	0.575	20	30		CCEDRM
Cc1cc(Cl)c(C#N)c(OC(=O)[C@@H](O)CC(=O)[O-])n1	ZINC001230183381	805584783	/nfs/dbraw/zinc/58/47/83/805584783.db2.gz	MNVZMOIFGWWVBD-QMMMGPOBSA-N	-1	0	284.655	0.656	20	30		CCEDRM
N#CCN1CC[C@@H](Oc2nc(Cl)[n-]c(=O)n2)C1	ZINC001230240913	805587985	/nfs/dbraw/zinc/58/79/85/805587985.db2.gz	RETVELXIMRFUTE-ZCFIWIBFSA-N	-1	0	255.665	0.207	20	30		CCEDRM
C#CCN(CC(=O)[O-])C(=O)N[C@@H]1CCOC[C@@H]1C	ZINC000302360609	967913913	/nfs/dbraw/zinc/91/39/13/967913913.db2.gz	KVCQMGHJOFDTGP-VHSXEESVSA-N	-1	0	254.286	0.141	20	30		CCEDRM
C=CCCOCCNC(=O)N[C@H]1C[C@H](C(=O)[O-])C1	ZINC000693029262	790667201	/nfs/dbraw/zinc/66/72/01/790667201.db2.gz	CHCVXKUHOXRPIP-MGCOHNPYSA-N	-1	0	256.302	0.742	20	30		CCEDRM
C=C[C@@H](Oc1nc(=O)[n-]c(Cl)c1[N+](=O)[O-])C(=O)OC	ZINC001231077515	805725643	/nfs/dbraw/zinc/72/56/43/805725643.db2.gz	WJMHHCWTRMRLLT-SCSAIBSYSA-N	-1	0	289.631	0.850	20	30		CCEDRM
C#CC(C#C)Oc1nc(=O)[n-]c(Cl)c1[N+](=O)[O-]	ZINC001231076941	805726212	/nfs/dbraw/zinc/72/62/12/805726212.db2.gz	QDRXGWBAWLQZGL-UHFFFAOYSA-N	-1	0	253.601	0.758	20	30		CCEDRM
COC(=O)[C@H]1CN(C)CCN1Cc1cc(C#N)ccc1[O-]	ZINC001232681251	805969740	/nfs/dbraw/zinc/96/97/40/805969740.db2.gz	OLLHYALNUWODLD-CYBMUJFWSA-N	-1	0	289.335	0.553	20	30		CCEDRM
C=C[C@H](CCCCC)Oc1c([O-])c(=O)c(=O)c(=O)c1=O	ZINC001234376557	806233797	/nfs/dbraw/zinc/23/37/97/806233797.db2.gz	PUTCLOPSMDJWLB-MRVPVSSYSA-N	-1	0	280.276	0.222	20	30		CCEDRM
C[C@H](CON)Oc1[n-]c(=O)nc2cccc(C#N)c21	ZINC001234514662	806264977	/nfs/dbraw/zinc/26/49/77/806264977.db2.gz	YBSGFBFASDDBDU-SSDOTTSWSA-N	-1	0	260.253	0.865	20	30		CCEDRM
COC(=O)C[C@H](Oc1ccccc1C=N[O-])C(=O)OC	ZINC001234822051	806304886	/nfs/dbraw/zinc/30/48/86/806304886.db2.gz	KHIMZURCCVYWSY-NSHDSACASA-N	-1	0	281.264	0.978	20	30		CCEDRM
CSCCCSc1[n-]c(=O)n(C)c(=O)c1C#N	ZINC001120856333	798949065	/nfs/dbraw/zinc/94/90/65/798949065.db2.gz	BSVMLNVMMJIKCG-UHFFFAOYSA-N	-1	0	271.367	0.790	20	30		CCEDRM
CNC(=O)C(C#N)=C([O-])c1ccn(CCC(F)(F)F)n1	ZINC001122463356	799240393	/nfs/dbraw/zinc/24/03/93/799240393.db2.gz	AJXHTVYODSVZCB-SSDOTTSWSA-N	-1	0	288.229	0.904	20	30		CCEDRM
Cn1cncc1C([O-])=C(C#N)C(=O)NC1CCCC1	ZINC001122471358	799242924	/nfs/dbraw/zinc/24/29/24/799242924.db2.gz	CGXATEMMTQYUCQ-JTQLQIEISA-N	-1	0	260.297	0.801	20	30		CCEDRM
CC[C@@H](C#N)C(=O)N1CCC[C@H](Cc2nnn[n-]2)C1	ZINC001123910727	799502039	/nfs/dbraw/zinc/50/20/39/799502039.db2.gz	VCBRNBPGHAAUKI-ZJUUUORDSA-N	-1	0	262.317	0.531	20	30		CCEDRM
C=C(C)CNC(=O)c1ccc(-n2[nH]c(=O)[n-]c2=O)cc1	ZINC001138475722	799735228	/nfs/dbraw/zinc/73/52/28/799735228.db2.gz	ZPDCTMIUUYKOFP-UHFFFAOYSA-N	-1	0	274.280	0.572	20	30		CCEDRM
Cc1cc(C#N)c(=O)[n-]c1C(=O)N1CCO[C@@H](C)C1	ZINC001141237327	799991043	/nfs/dbraw/zinc/99/10/43/799991043.db2.gz	UNIYDPJVYVGGQY-VIFPVBQESA-N	-1	0	261.281	0.828	20	30		CCEDRM
N#Cc1cc(NC(=O)c2cn3c(n2)C=CCN3)c([O-])cc1F	ZINC001149441900	800262391	/nfs/dbraw/zinc/26/23/91/800262391.db2.gz	LDICDBJHBTVQKZ-UHFFFAOYSA-N	-1	0	299.265	0.961	20	30		CCEDRM
C=CCNc1ncc(C(=O)[N-]n2ccc(=O)[nH]c2=O)s1	ZINC001149617453	800281902	/nfs/dbraw/zinc/28/19/02/800281902.db2.gz	NLIFWUUCMJKRCY-UHFFFAOYSA-N	-1	0	293.308	0.387	20	30		CCEDRM
C=CCCC(=O)NC[C@@H](C)N(CC)Cc1n[nH]c(=O)[n-]1	ZINC001152312859	800509548	/nfs/dbraw/zinc/50/95/48/800509548.db2.gz	DKFUVJLWQQTOBC-SNVBAGLBSA-N	-1	0	281.360	0.803	20	30		CCEDRM
N#Cc1cc(Nc2ccc(C(=O)NCC(=O)[O-])cc2)ccn1	ZINC001206648775	800650520	/nfs/dbraw/zinc/65/05/20/800650520.db2.gz	LSJUYIGCYALDAU-UHFFFAOYSA-N	-1	0	296.286	0.933	20	30		CCEDRM
N#C[C@H]1CN(C(=O)c2c[n-]c3cccnc3c2=O)CCO1	ZINC001153855500	800679598	/nfs/dbraw/zinc/67/95/98/800679598.db2.gz	DPUBFMRDQSSLKZ-VIFPVBQESA-N	-1	0	284.275	0.288	20	30		CCEDRM
Cc1cc(C#N)c(=O)[n-]c1C(=O)NOC1CCOCC1	ZINC001154941707	800876975	/nfs/dbraw/zinc/87/69/75/800876975.db2.gz	FKDCNVFNMUCMHL-UHFFFAOYSA-N	-1	0	277.280	0.808	20	30		CCEDRM
N#Cc1nc(Cl)c(N[C@@H]2SC(=O)[N-]C2=O)nc1C#N	ZINC001155843485	801064564	/nfs/dbraw/zinc/06/45/64/801064564.db2.gz	PHAXROZPJUTYDC-MRVPVSSYSA-N	-1	0	294.683	0.594	20	30		CCEDRM
C=CCn1cc(C(=O)N[C@H](C)c2nn(C)cc2[O-])nn1	ZINC001158304703	801616911	/nfs/dbraw/zinc/61/69/11/801616911.db2.gz	DCMHZPIIPXSARY-MRVPVSSYSA-N	-1	0	276.300	0.394	20	30		CCEDRM
C=CCS(=O)(=O)[N-]c1c(C#N)cnc2c(C#N)cnn21	ZINC001259922909	808803871	/nfs/dbraw/zinc/80/38/71/808803871.db2.gz	KYPOYXJAEFEKGY-UHFFFAOYSA-N	-1	0	288.292	0.400	20	30		CCEDRM
N#CCc1ncc(NCC[N-]C(=O)C(F)(F)F)cn1	ZINC001164243932	802696228	/nfs/dbraw/zinc/69/62/28/802696228.db2.gz	MBUVEKFNDYPWJV-UHFFFAOYSA-N	-1	0	273.218	0.633	20	30		CCEDRM
C=C[C@H](C)O[N-]C(=O)[C@H](NC(=O)C1CCCC1)[C@@H](C)O	ZINC001164413657	802737993	/nfs/dbraw/zinc/73/79/93/802737993.db2.gz	GTTLPKBIXLYHQZ-HOSYDEDBSA-N	-1	0	284.356	0.665	20	30		CCEDRM
N#Cc1cnc(N2CCC([N-]C(=O)C(F)(F)F)CC2)cn1	ZINC001166895981	802973668	/nfs/dbraw/zinc/97/36/68/802973668.db2.gz	CQRYXEVHEAYDHQ-UHFFFAOYSA-N	-1	0	299.256	0.996	20	30		CCEDRM
Cn1ncc(C#N)c1[N-]S(=O)(=O)C[C@@H]1CCCO1	ZINC000093342353	814940693	/nfs/dbraw/zinc/94/06/93/814940693.db2.gz	QGHNSLIWMXASIA-VIFPVBQESA-N	-1	0	270.314	0.212	20	30		CCEDRM
C=CCC[C@@H](NS(=O)(=O)c1c[nH]nc1C)C(=O)[O-]	ZINC000315971261	804660871	/nfs/dbraw/zinc/66/08/71/804660871.db2.gz	YFGUGXNGHVHZBQ-MRVPVSSYSA-N	-1	0	273.314	0.416	20	30		CCEDRM
C=CCC[C@H](NS(=O)(=O)N(C)C(C)C)C(=O)[O-]	ZINC000316226259	804681547	/nfs/dbraw/zinc/68/15/47/804681547.db2.gz	CJAQHHBQQCQERA-VIFPVBQESA-N	-1	0	264.347	0.580	20	30		CCEDRM
C=CCC[C@@H](NC(=O)N[C@@H]1CCC[N@@H+](C)C1)C(=O)[O-]	ZINC000316551667	804709249	/nfs/dbraw/zinc/70/92/49/804709249.db2.gz	YKTZJWOBFYKPJJ-GHMZBOCLSA-N	-1	0	269.345	0.799	20	30		CCEDRM
C=CCC[C@@H](NC(=O)NC[C@@]1(OC)CCOC1)C(=O)[O-]	ZINC000316578836	804710828	/nfs/dbraw/zinc/71/08/28/804710828.db2.gz	HHELZNKTRYXRHQ-MFKMUULPSA-N	-1	0	286.328	0.511	20	30		CCEDRM
C=CCOC[C@H](CS(=O)(=O)[O-])OCc1ccnn1C	ZINC001222711500	804929770	/nfs/dbraw/zinc/92/97/70/804929770.db2.gz	QUMCSQUWEVZSNM-LLVKDONJSA-N	-1	0	290.341	0.396	20	30		CCEDRM
C=CCOC[C@H](CS(=O)(=O)[O-])OCCCCOC	ZINC001224317105	805027000	/nfs/dbraw/zinc/02/70/00/805027000.db2.gz	IVQXDPXTOBBLIC-LLVKDONJSA-N	-1	0	282.358	0.889	20	30		CCEDRM
C=CC[C@H](CCCC)Oc1c([O-])c(=O)c(=O)c1=O	ZINC001225829870	805167399	/nfs/dbraw/zinc/16/73/99/805167399.db2.gz	BZJWFNIOOPCTME-MRVPVSSYSA-N	-1	0	252.266	0.862	20	30		CCEDRM
N#CCN1CC[C@H](Oc2[n-]c(=O)c(F)cc2C#N)C1	ZINC001226009038	805185432	/nfs/dbraw/zinc/18/54/32/805185432.db2.gz	QSAGKGIYMOTNBI-VIFPVBQESA-N	-1	0	262.244	0.775	20	30		CCEDRM
COC(=O)[C@@H]1C[C@@H](Oc2[n-]c(=O)c(F)cc2C#N)CN1C	ZINC001226008361	805186269	/nfs/dbraw/zinc/18/62/69/805186269.db2.gz	GXGZQYSHPLPZRX-SCZZXKLOSA-N	-1	0	295.270	0.422	20	30		CCEDRM
CC[C@H](C#CC(=O)OC)Oc1nc(C)cc(=O)[n-]1	ZINC001226157822	805199192	/nfs/dbraw/zinc/19/91/92/805199192.db2.gz	GFZURSZPSOXJSR-SECBINFHSA-N	-1	0	250.254	0.824	20	30		CCEDRM
C=C[C@@H](Oc1ccc(O)cc1S(=O)(=O)[O-])C(=O)OC	ZINC001226413921	805227547	/nfs/dbraw/zinc/22/75/47/805227547.db2.gz	WLYMKHYROCFSMI-MRVPVSSYSA-N	-1	0	288.277	0.745	20	30		CCEDRM
COC(=O)c1cc(=O)c(OC2=C(C)O[C@@H](C)C2=O)c[n-]1	ZINC001227784426	805389923	/nfs/dbraw/zinc/38/99/23/805389923.db2.gz	VFCBABODWHHPNF-LURJTMIESA-N	-1	0	279.248	0.760	20	30		CCEDRM
Cc1nc(OC(=O)[C@H](O)CC(=O)[O-])c(C#N)c(C)c1Cl	ZINC001227827701	805395518	/nfs/dbraw/zinc/39/55/18/805395518.db2.gz	GEOWSJIGYCBOIQ-MRVPVSSYSA-N	-1	0	298.682	0.965	20	30		CCEDRM
C=CCOC[C@@H](CS(=O)(=O)[O-])Oc1cn[nH]c1	ZINC001228324333	805437927	/nfs/dbraw/zinc/43/79/27/805437927.db2.gz	FOGFMDOOGPOMEE-VIFPVBQESA-N	-1	0	262.287	0.248	20	30		CCEDRM
Cn1cnc2nc(=O)[n-]c(OC3CN(CCC#N)C3)c21	ZINC001228675011	805468033	/nfs/dbraw/zinc/46/80/33/805468033.db2.gz	QOCCSJHKKVQMJD-UHFFFAOYSA-N	-1	0	274.284	0.046	20	30		CCEDRM
C=CCOc1ccccc1OC(=O)[C@H](O)CC(=O)[O-]	ZINC001229614640	805545162	/nfs/dbraw/zinc/54/51/62/805545162.db2.gz	VJWJMXLOEZNWEG-SECBINFHSA-N	-1	0	266.249	0.992	20	30		CCEDRM
CN(C)S(=O)(=O)[N-]c1nc(Cl)ccc1C#N	ZINC001251056216	807657615	/nfs/dbraw/zinc/65/76/15/807657615.db2.gz	PUXZQSVQZMBWKZ-UHFFFAOYSA-N	-1	0	260.706	0.825	20	30		CCEDRM
C=C[C@@](C)(O)CNc1ccc(S(=O)(=O)[N-]C(N)=O)cc1	ZINC001252567359	807912413	/nfs/dbraw/zinc/91/24/13/807912413.db2.gz	WHBQVQNWHMYSEC-GFCCVEGCSA-N	-1	0	299.352	0.393	20	30		CCEDRM
N#Cc1ccc(S(=O)(=O)[N-]c2nnco2)cc1	ZINC001258026545	808651005	/nfs/dbraw/zinc/65/10/05/808651005.db2.gz	FXTXXFQKHPEHQN-UHFFFAOYSA-N	-1	0	250.239	0.742	20	30		CCEDRM
COC(=O)CS(=O)(=O)[N-]c1c(C#N)ccc(F)c1F	ZINC001259026823	808724138	/nfs/dbraw/zinc/72/41/38/808724138.db2.gz	FLGZFWYGKBHAHF-UHFFFAOYSA-N	-1	0	290.247	0.751	20	30		CCEDRM
Cc1cnc(C#N)c([N-]S(=O)(=O)c2ccn(C)n2)c1	ZINC001259938761	808813381	/nfs/dbraw/zinc/81/33/81/808813381.db2.gz	UBSXCXVJWWINLT-UHFFFAOYSA-N	-1	0	277.309	0.796	20	30		CCEDRM
CCOC(=O)[C@H](C#N)[N-]S(=O)(=O)Cc1ccccc1C	ZINC001260024905	808837098	/nfs/dbraw/zinc/83/70/98/808837098.db2.gz	OOGABPXRKBLAPP-LBPRGKRZSA-N	-1	0	296.348	0.870	20	30		CCEDRM
CN(CC#N)S(=O)(=O)c1ccc(O)c(C(=O)[O-])c1	ZINC001260396640	808859832	/nfs/dbraw/zinc/85/98/32/808859832.db2.gz	ZNELQEZUIQWZSI-UHFFFAOYSA-N	-1	0	270.266	0.234	20	30		CCEDRM
Cc1nc(S(=O)(=O)[N-]c2cnc(C#N)cn2)cn1C	ZINC001260541636	808861650	/nfs/dbraw/zinc/86/16/50/808861650.db2.gz	CIBZUHZOXZZSQH-UHFFFAOYSA-N	-1	0	278.297	0.191	20	30		CCEDRM
Cc1noc([N-]S(=O)(=O)c2cn[nH]c2)c1C#N	ZINC001260953614	808886545	/nfs/dbraw/zinc/88/65/45/808886545.db2.gz	ZOTKIZJXMIWDDU-UHFFFAOYSA-N	-1	0	253.243	0.379	20	30		CCEDRM
C=CC[C@H](NC(=O)Cc1ncccc1OC)C(=O)[O-]	ZINC001262177424	809223413	/nfs/dbraw/zinc/22/34/13/809223413.db2.gz	UQWVLZVCVKBTHI-VIFPVBQESA-N	-1	0	264.281	0.778	20	30		CCEDRM
C=CC[C@H](CO)CNC(=O)c1ccc(C(=O)[O-])o1	ZINC001262181354	809227911	/nfs/dbraw/zinc/22/79/11/809227911.db2.gz	KIEPIBLMEBPEET-QMMMGPOBSA-N	-1	0	253.254	0.892	20	30		CCEDRM
Cc1nnc([S-])n(N=Cc2c3c(nn2C)CCC3)c1=O	ZINC001262479023	809315803	/nfs/dbraw/zinc/31/58/03/809315803.db2.gz	NBDXYCGGXHGDJR-UHFFFAOYSA-N	-1	0	290.352	0.340	20	30		CCEDRM
COCCNC(=O)C(C#N)=C([O-])c1cnc(COC)s1	ZINC001263294137	809504199	/nfs/dbraw/zinc/50/41/99/809504199.db2.gz	MPXBHUKKRUVMRI-MRVPVSSYSA-N	-1	0	297.336	0.375	20	30		CCEDRM
Cn1ccnc1C([O-])=C(C#N)C(=O)[C@@H]1CCCC(=O)N1C	ZINC001263413619	809518022	/nfs/dbraw/zinc/51/80/22/809518022.db2.gz	DHYKPNJQRBTMSX-ZJUUUORDSA-N	-1	0	288.307	0.323	20	30		CCEDRM
C=C[C@@H](CC)CC(=O)N[C@H]1CCN(Cc2n[nH]c(=O)[n-]2)C1	ZINC001267729371	811698533	/nfs/dbraw/zinc/69/85/33/811698533.db2.gz	UBNSRBBDFXKHGW-QWRGUYRKSA-N	-1	0	293.371	0.803	20	30		CCEDRM
COC(=O)CN(CC#N)C(=O)c1cc2c(cc1O)OCO2	ZINC000436526290	815495293	/nfs/dbraw/zinc/49/52/93/815495293.db2.gz	CXWRONKRNRMUDT-UHFFFAOYSA-N	-1	0	292.247	0.260	20	30		CCEDRM
C=CC[C@@H](NC(=O)NCc1ccn(C)n1)C(=O)[O-]	ZINC000212195042	812028551	/nfs/dbraw/zinc/02/85/51/812028551.db2.gz	DJFRKQKEUSYZGG-SECBINFHSA-N	-1	0	252.274	0.249	20	30		CCEDRM
C#CCCCC(=O)NCC1(NCc2n[nH]c(=O)[n-]2)CC1	ZINC001269403277	813358145	/nfs/dbraw/zinc/35/81/45/813358145.db2.gz	SLXZHGXOOKNVIQ-UHFFFAOYSA-N	-1	0	277.328	0.052	20	30		CCEDRM
CS(=O)(=O)[N-]c1ccc(F)cc1C(=O)NCCC#N	ZINC000427618847	813613746	/nfs/dbraw/zinc/61/37/46/813613746.db2.gz	SXRISHZNBGCVFE-UHFFFAOYSA-N	-1	0	285.300	0.841	20	30		CCEDRM
C#CC[C@H](NC(=O)c1cn2c(n1)CCCC2)C(=O)[O-]	ZINC000696145949	816006547	/nfs/dbraw/zinc/00/65/47/816006547.db2.gz	GFFYQTRFGRBCKZ-VIFPVBQESA-N	-1	0	261.281	0.426	20	30		CCEDRM
CCC[C@H](O)CCCSc1[n-]c(=O)n(C)c(=O)c1C#N	ZINC001120868780	816248098	/nfs/dbraw/zinc/24/80/98/816248098.db2.gz	WZAZGQODECEAOI-VIFPVBQESA-N	-1	0	297.380	0.979	20	30		CCEDRM
Cn1cc(S(=O)(=O)[N-]c2cc(C#N)ccc2O)cn1	ZINC000176513201	816632403	/nfs/dbraw/zinc/63/24/03/816632403.db2.gz	GGQOFYGPKTVLEC-UHFFFAOYSA-N	-1	0	278.293	0.798	20	30		CCEDRM
C#CCO[N-]C(=O)[C@H]1CCCN1C(=O)C(C)(C)C	ZINC000700595499	818810859	/nfs/dbraw/zinc/81/08/59/818810859.db2.gz	GKEXDIZNUAHKPD-SNVBAGLBSA-N	-1	0	252.314	0.705	20	30		CCEDRM
C=CCCS(=O)(=O)N1CCC(OCC(=O)[O-])CC1	ZINC000710562316	819809566	/nfs/dbraw/zinc/80/95/66/819809566.db2.gz	WGSQKKNGTDRASW-UHFFFAOYSA-N	-1	0	277.342	0.458	20	30		CCEDRM
C=CC[C@H](NC(=O)[C@H](OC)[C@@H]1CCOC1)C(=O)[O-]	ZINC001118544674	820612944	/nfs/dbraw/zinc/61/29/44/820612944.db2.gz	JBTTWJRUZDOGIE-KXUCPTDWSA-N	-1	0	257.286	0.183	20	30		CCEDRM
C#CCCCS(=O)(=O)[N-][C@@H](CCO)C(F)(F)F	ZINC001119434098	821306115	/nfs/dbraw/zinc/30/61/15/821306115.db2.gz	AFVKGSIOIBGDFD-QMMMGPOBSA-N	-1	0	273.276	0.633	20	30		CCEDRM
C=CC[C@@H](C(=O)N[C@H](CO)C(=O)[O-])c1ccccc1	ZINC001119649829	821409827	/nfs/dbraw/zinc/40/98/27/821409827.db2.gz	ZEGWHUCHUFJIFJ-VXGBXAGGSA-N	-1	0	263.293	0.908	20	30		CCEDRM
Cc1n[nH]c(C(=O)N[C@@H]2CCCC[C@H]2NCC#N)c1[O-]	ZINC001085172652	821528489	/nfs/dbraw/zinc/52/84/89/821528489.db2.gz	JSWLXQGEDPPTBB-NXEZZACHSA-N	-1	0	277.328	0.578	20	30		CCEDRM
C[C@@H]1C[C@H](C(=O)[N-]S(=O)(=O)CC2(C#N)CC2)CO1	ZINC000793203934	837406816	/nfs/dbraw/zinc/40/68/16/837406816.db2.gz	HWTJRGBVQRYLQZ-BDAKNGLRSA-N	-1	0	272.326	0.161	20	30		CCEDRM
N#CC1(CS(=O)(=O)[N-]C(=O)c2cscn2)CC1	ZINC000793205321	837407180	/nfs/dbraw/zinc/40/71/80/837407180.db2.gz	MGVVCGTTZOIKCB-UHFFFAOYSA-N	-1	0	271.323	0.506	20	30		CCEDRM
C=C[C@@H](CO)Nc1ccc(-n2[n-]c(C)cc2=O)nn1	ZINC001169779578	836443816	/nfs/dbraw/zinc/44/38/16/836443816.db2.gz	MKPVXISMSIGYTA-VIFPVBQESA-N	-1	0	261.285	0.548	20	30		CCEDRM
O=C(CCC(=O)N1CCN2C(=O)OC[C@H]2C1)C1=CC=C[CH]1	ZINC001184244212	844187920	/nfs/dbraw/zinc/18/79/20/844187920.db2.gz	RQJUEJZSEWLGIA-GFCCVEGCSA-N	-1	0	289.311	0.699	20	30		CCEDRM
O=C(CCC(=O)C1=CC=C[CH]1)NC[C@H]1CNC(=O)O1	ZINC001184246899	844189151	/nfs/dbraw/zinc/18/91/51/844189151.db2.gz	ATZMFSZDFAADRP-JTQLQIEISA-N	-1	0	263.273	0.261	20	30		CCEDRM
C=CCN1CCN(C(=O)c2[nH]c(=O)ccc2Cl)CC1	ZINC001184805406	844284039	/nfs/dbraw/zinc/28/40/39/844284039.db2.gz	OBRDGDVGPCQWAV-UHFFFAOYSA-N	-1	0	281.743	0.811	20	30		CCEDRM
Cn1cc([N-]S(=O)(=O)c2cnc(Cl)nc2)c(C#N)n1	ZINC001185003580	844326307	/nfs/dbraw/zinc/32/63/07/844326307.db2.gz	FUUMPDDUPMSPEY-UHFFFAOYSA-N	-1	0	298.715	0.536	20	30		CCEDRM
COc1ccc(S(=O)(=O)N(C)[C@@H](C)C#N)cc1C(=O)[O-]	ZINC001185299958	844398142	/nfs/dbraw/zinc/39/81/42/844398142.db2.gz	ORCUVHILOHBVJY-QMMMGPOBSA-N	-1	0	298.320	0.926	20	30		CCEDRM
CCOCCS(=O)(=O)[N-]c1cncc(C#N)n1	ZINC001187246031	844678441	/nfs/dbraw/zinc/67/84/41/844678441.db2.gz	JAWCEDNNSSUIEM-UHFFFAOYSA-N	-1	0	256.287	0.126	20	30		CCEDRM
Cn1ccc(C(=O)[N-]S(=O)(=O)CC2(C#N)CC2)c1	ZINC000793204561	840111990	/nfs/dbraw/zinc/11/19/90/840111990.db2.gz	NMLSBMUAYIYMBD-UHFFFAOYSA-N	-1	0	267.310	0.388	20	30		CCEDRM
CC/C=C(\F)C(=O)NCCn1cc(C#N)c(=O)[n-]c1=O	ZINC001148392608	840790357	/nfs/dbraw/zinc/79/03/57/840790357.db2.gz	BIHQDNJKBKBAJK-OQFOIZHKSA-N	-1	0	280.259	0.200	20	30		CCEDRM
CN(Cc1nc(=O)o[n-]1)c1c(C#N)cccc1[N+](=O)[O-]	ZINC001186815310	844604297	/nfs/dbraw/zinc/60/42/97/844604297.db2.gz	VAHDJHNXTCQAGJ-UHFFFAOYSA-N	-1	0	275.224	0.779	20	30		CCEDRM
N#Cc1cnn2c1[nH]c(=O)cc2Nc1cnn(CC(=O)[O-])c1	ZINC001176264948	842346051	/nfs/dbraw/zinc/34/60/51/842346051.db2.gz	OYTULPXZJKLTAC-UHFFFAOYSA-N	-1	0	299.250	0.331	20	30		CCEDRM
CNc1ccc(C#N)cc1NC(=O)Cc1nnn[n-]1	ZINC001176845071	842443964	/nfs/dbraw/zinc/44/39/64/842443964.db2.gz	PDDXXWQDUHROTM-UHFFFAOYSA-N	-1	0	257.257	0.294	20	30		CCEDRM
CCOC(=O)[C@@H](C#N)NC(=O)C1(C(=O)[O-])CCCCC1	ZINC001180440358	843168155	/nfs/dbraw/zinc/16/81/55/843168155.db2.gz	OFAPDGWJGVAFEW-SECBINFHSA-N	-1	0	282.296	0.593	20	30		CCEDRM
CN1C(=O)C[C@@H](C(=O)Nc2ccc(O)c(C#N)c2)NC1=O	ZINC001181132177	843412710	/nfs/dbraw/zinc/41/27/10/843412710.db2.gz	GVXHSNLWDMMTRX-VIFPVBQESA-N	-1	0	288.263	0.143	20	30		CCEDRM
N#Cc1ccc(OCC(=O)N[C@@H]2SC(=O)[N-]C2=O)cc1	ZINC001182916998	843938954	/nfs/dbraw/zinc/93/89/54/843938954.db2.gz	ODGOSBKYUNFRBK-LLVKDONJSA-N	-1	0	291.288	0.362	20	30		CCEDRM
Cc1oncc1S(=O)(=O)[N-]c1cnn(C)c1C#N	ZINC001187338161	844699643	/nfs/dbraw/zinc/69/96/43/844699643.db2.gz	STESRUHUZQLOJI-UHFFFAOYSA-N	-1	0	267.270	0.389	20	30		CCEDRM
Cc1cnc([N-]S(=O)(=O)c2c[nH]cn2)c(C#N)c1	ZINC001187730977	844752967	/nfs/dbraw/zinc/75/29/67/844752967.db2.gz	UVIQBNURUIZZBS-UHFFFAOYSA-N	-1	0	263.282	0.786	20	30		CCEDRM
N#CCS(=O)(=O)[N-]c1cnc(Br)cn1	ZINC000083891620	844811090	/nfs/dbraw/zinc/81/10/90/844811090.db2.gz	CEHPLIAWINSJLX-UHFFFAOYSA-N	-1	0	277.103	0.504	20	30		CCEDRM
N#C[C@H](NC(=O)c1ccc([O-])c(C(F)(F)F)c1)C(N)=O	ZINC001188588270	844928694	/nfs/dbraw/zinc/92/86/94/844928694.db2.gz	LIZYMGDVSAQNSK-ZETCQYMHSA-N	-1	0	287.197	0.518	20	30		CCEDRM
COc1ncnc([N-]S(=O)(=O)CC2CC2)c1C#N	ZINC001188938604	845001097	/nfs/dbraw/zinc/00/10/97/845001097.db2.gz	MMYYBBKAPJDQMG-UHFFFAOYSA-N	-1	0	268.298	0.509	20	30		CCEDRM
COc1cc(OC)nc(C(=O)[N-]c2onc(C)c2C#N)n1	ZINC001189217815	845091861	/nfs/dbraw/zinc/09/18/61/845091861.db2.gz	DWSKSAMXZLSQRW-UHFFFAOYSA-N	-1	0	289.251	0.914	20	30		CCEDRM
CC1(C#N)CN(C(=O)c2ccccc2S(=O)(=O)[O-])C1	ZINC001189669338	845184250	/nfs/dbraw/zinc/18/42/50/845184250.db2.gz	XYJVAHGROOMWAI-UHFFFAOYSA-N	-1	0	280.305	0.919	20	30		CCEDRM
C#C[C@H](C)N(C)S(=O)(=O)c1ccc([O-])c([N+](=O)[O-])c1	ZINC001189795147	845210608	/nfs/dbraw/zinc/21/06/08/845210608.db2.gz	XFNRNXWWHKQCOR-QMMMGPOBSA-N	-1	0	284.293	0.943	20	30		CCEDRM
CC(C)(C#N)c1cccc(C(=O)NCc2nnn[n-]2)c1	ZINC001190942637	845541181	/nfs/dbraw/zinc/54/11/81/845541181.db2.gz	KRHCQPRPZQJPEX-UHFFFAOYSA-N	-1	0	270.296	0.931	20	30		CCEDRM
CCOC(=O)[C@H](C#N)[N-]S(=O)(=O)CC1CCCC1	ZINC001191553648	845689106	/nfs/dbraw/zinc/68/91/06/845689106.db2.gz	LZOQJJUBCYRZQG-JTQLQIEISA-N	-1	0	274.342	0.551	20	30		CCEDRM
C=C[C@@H](CO)NC(=O)c1nc(Br)ccc1[O-]	ZINC001191749074	845732316	/nfs/dbraw/zinc/73/23/16/845732316.db2.gz	PFUPSXCHKTXANA-LURJTMIESA-N	-1	0	287.113	0.826	20	30		CCEDRM
COC(=O)c1ccc([O-])c(C(=O)N2CCNC[C@@H]2C#N)c1	ZINC001192390325	845825420	/nfs/dbraw/zinc/82/54/20/845825420.db2.gz	VLUWYRQQZUALMO-JTQLQIEISA-N	-1	0	289.291	0.116	20	30		CCEDRM
N#CCS(=O)(=O)[N-]c1cc(Cl)nn2ccnc12	ZINC001192952034	845934417	/nfs/dbraw/zinc/93/44/17/845934417.db2.gz	VVHCHQNFZUEVGU-UHFFFAOYSA-N	-1	0	271.689	0.648	20	30		CCEDRM
N#CCS(=O)(=O)[N-]c1cncc(Br)n1	ZINC001192939679	845943106	/nfs/dbraw/zinc/94/31/06/845943106.db2.gz	VRRVOIPOKVENPE-UHFFFAOYSA-N	-1	0	277.103	0.504	20	30		CCEDRM
COc1ccc([N-]S(=O)(=O)CC#N)c(C(N)=O)c1	ZINC001192981150	845943424	/nfs/dbraw/zinc/94/34/24/845943424.db2.gz	XVPOOESOWYICOP-UHFFFAOYSA-N	-1	0	269.282	0.059	20	30		CCEDRM
N#CCS(=O)(=O)[N-]c1ccccc1-n1cncn1	ZINC001192982615	845943522	/nfs/dbraw/zinc/94/35/22/845943522.db2.gz	UHYWAUZQRXOECW-UHFFFAOYSA-N	-1	0	263.282	0.533	20	30		CCEDRM
COC(=O)c1nc2cc([N-]S(=O)(=O)CC#N)ccc2o1	ZINC001192985729	845944967	/nfs/dbraw/zinc/94/49/67/845944967.db2.gz	LPQTXKCRSUGACQ-UHFFFAOYSA-N	-1	0	295.276	0.880	20	30		CCEDRM
N#CCS(=O)(=O)[N-]c1ccccc1C1OCCO1	ZINC001192985775	845945493	/nfs/dbraw/zinc/94/54/93/845945493.db2.gz	MZCPCCWYEMLOIJ-UHFFFAOYSA-N	-1	0	268.294	0.997	20	30		CCEDRM
C[C@H](C#N)S(=O)(=O)[N-]c1cnn(C2CCOCC2)c1	ZINC001193105699	845978163	/nfs/dbraw/zinc/97/81/63/845978163.db2.gz	ZXSNWTDCBZXQKG-SECBINFHSA-N	-1	0	284.341	0.888	20	30		CCEDRM
C[C@H](C#N)S(=O)(=O)[N-]c1cnc(Br)nc1	ZINC001193104627	845978744	/nfs/dbraw/zinc/97/87/44/845978744.db2.gz	LLMIBZOLNMFVMT-RXMQYKEDSA-N	-1	0	291.130	0.893	20	30		CCEDRM
Cc1cc([N-]S(=O)(=O)[C@H](C)C#N)cnc1C#N	ZINC001193111566	845981261	/nfs/dbraw/zinc/98/12/61/845981261.db2.gz	IYLGLOBRXFMPSI-MRVPVSSYSA-N	-1	0	250.283	0.915	20	30		CCEDRM
CCOC(=O)c1cc([N-]S(=O)(=O)[C@@H](C)C#N)on1	ZINC001193111849	845981598	/nfs/dbraw/zinc/98/15/98/845981598.db2.gz	MFCPDTCVFLITBY-LURJTMIESA-N	-1	0	273.270	0.505	20	30		CCEDRM
C[C@H](C#N)S(=O)(=O)[N-]c1cnn(C(F)F)c1	ZINC001193111233	845981606	/nfs/dbraw/zinc/98/16/06/845981606.db2.gz	DUIAAIRPHBYDPF-RXMQYKEDSA-N	-1	0	250.230	0.932	20	30		CCEDRM
Cc1nsc([N-]S(=O)(=O)[C@H](C)C#N)c1C#N	ZINC001193094499	845993598	/nfs/dbraw/zinc/99/35/98/845993598.db2.gz	DNARIINXULFNPZ-RXMQYKEDSA-N	-1	0	256.312	0.977	20	30		CCEDRM
C[C@@H](C#N)S(=O)(=O)[N-]c1cccc(F)c1C(N)=O	ZINC001193146499	846004407	/nfs/dbraw/zinc/00/44/07/846004407.db2.gz	OIPDZDRLOZUDQX-LURJTMIESA-N	-1	0	271.273	0.578	20	30		CCEDRM
C[C@@H](C#N)S(=O)(=O)[N-]c1c(O)cccc1C#N	ZINC001193150656	846007111	/nfs/dbraw/zinc/00/71/11/846007111.db2.gz	ZQOMBAJGBWCTLC-ZETCQYMHSA-N	-1	0	251.267	0.918	20	30		CCEDRM
COC(=O)c1ccc([N-]S(=O)(=O)[C@H](C)C#N)c(C#N)c1	ZINC001193162378	846009662	/nfs/dbraw/zinc/00/96/62/846009662.db2.gz	YFUODKBXQGEGBC-MRVPVSSYSA-N	-1	0	293.304	0.999	20	30		CCEDRM
C[C@H](C#N)S(=O)(=O)[N-]c1cccc2c1CN(C)C2=O	ZINC001193160288	846009976	/nfs/dbraw/zinc/00/99/76/846009976.db2.gz	BMPLBEHZMHWJEV-MRVPVSSYSA-N	-1	0	279.321	0.926	20	30		CCEDRM
CCOC(=O)[C@H]([N-]S(=O)(=O)[C@H](C)C#N)C(F)(F)F	ZINC001193168457	846011252	/nfs/dbraw/zinc/01/12/52/846011252.db2.gz	CGOKUBPGBDDLEE-RITPCOANSA-N	-1	0	288.247	0.312	20	30		CCEDRM
COc1ccc(C(=NC(=O)c2cc(=O)[nH][n-]2)NO)nc1	ZINC001193476481	846088687	/nfs/dbraw/zinc/08/86/87/846088687.db2.gz	XDJQEHYLKJLVIN-UHFFFAOYSA-N	-1	0	277.240	0.085	20	30		CCEDRM
Cc1nonc1CNC(=O)c1ccc([O-])c(C#N)c1	ZINC001193511570	846101360	/nfs/dbraw/zinc/10/13/60/846101360.db2.gz	CCGMXINTUPDLIF-UHFFFAOYSA-N	-1	0	258.237	0.885	20	30		CCEDRM
N#Cc1cc(C(=O)N2CC[C@@H](O)[C@H](F)C2)ccc1[O-]	ZINC001193505673	846101779	/nfs/dbraw/zinc/10/17/79/846101779.db2.gz	GZOBGHSUONYKTM-ZYHUDNBSSA-N	-1	0	264.256	0.809	20	30		CCEDRM
Cn1c(=O)cc(NC(=O)c2ccc([O-])c(C#N)c2)[nH]c1=O	ZINC001193515747	846103170	/nfs/dbraw/zinc/10/31/70/846103170.db2.gz	RDTGATMOICTKJC-UHFFFAOYSA-N	-1	0	286.247	0.315	20	30		CCEDRM
Cn1ccnc1S(=O)(=O)[N-]c1cc(F)cnc1C#N	ZINC001193564721	846107870	/nfs/dbraw/zinc/10/78/70/846107870.db2.gz	JPHHEPDFEILYTK-UHFFFAOYSA-N	-1	0	281.272	0.627	20	30		CCEDRM
N#Cc1cccc(C(=O)NCc2cncnc2)c1[O-]	ZINC001193658010	846140270	/nfs/dbraw/zinc/14/02/70/846140270.db2.gz	PSIBHUQBXMGLMX-UHFFFAOYSA-N	-1	0	254.249	0.984	20	30		CCEDRM
C[C@@H](C#N)NS(=O)(=O)c1cc(C(=O)[O-])c(F)cc1F	ZINC001195258891	846487378	/nfs/dbraw/zinc/48/73/78/846487378.db2.gz	SNJOYELUVWZBAL-YFKPBYRVSA-N	-1	0	290.247	0.853	20	30		CCEDRM
CC(C)C#CC(=O)N1CCCN(Cc2n[nH]c(=O)[n-]2)CC1	ZINC001195775009	846622292	/nfs/dbraw/zinc/62/22/92/846622292.db2.gz	LZXBROZYMKYPMH-UHFFFAOYSA-N	-1	0	291.355	0.204	20	30		CCEDRM
N#Cc1cnc([N-]S(=O)(=O)Cc2ccccn2)cn1	ZINC001197773965	846960363	/nfs/dbraw/zinc/96/03/63/846960363.db2.gz	FHZOEGCSMRLMAH-UHFFFAOYSA-N	-1	0	275.293	0.685	20	30		CCEDRM
Cc1ncc(S(=O)(=O)[N-]c2nnccc2C#N)n1C	ZINC001198361317	847104572	/nfs/dbraw/zinc/10/45/72/847104572.db2.gz	NZQYMVYKYQYFEP-UHFFFAOYSA-N	-1	0	278.297	0.191	20	30		CCEDRM
C=CC[C@@H](NC(=O)NCc1nccn1C)C(=O)[O-]	ZINC000161891299	847883647	/nfs/dbraw/zinc/88/36/47/847883647.db2.gz	DUNWVGQMITZWTQ-MRVPVSSYSA-N	-1	0	252.274	0.249	20	30		CCEDRM
C#CC[C@H](NC(=O)[C@]12CCC[C@H]1OCC2)C(=O)[O-]	ZINC000687339446	849100833	/nfs/dbraw/zinc/10/08/33/849100833.db2.gz	ZFJHBMNSARKFSU-CWSCBRNRSA-N	-1	0	251.282	0.538	20	30		CCEDRM
C=CCN(C(=O)c1cccn(CC(=O)[O-])c1=O)C1CC1	ZINC000901626764	851776042	/nfs/dbraw/zinc/77/60/42/851776042.db2.gz	NSQRRJOJZWAXCR-UHFFFAOYSA-N	-1	0	276.292	0.724	20	30		CCEDRM
C=CCOC[C@@H](NCc1conc1CC)C(=O)[O-]	ZINC001262157577	852499293	/nfs/dbraw/zinc/49/92/93/852499293.db2.gz	IGYAOLJUBKPSAF-LLVKDONJSA-N	-1	0	254.286	0.982	20	30		CCEDRM
C#CCSCCNC(=O)N[C@@H](CC(F)F)C(=O)[O-]	ZINC000385730021	853899287	/nfs/dbraw/zinc/89/92/87/853899287.db2.gz	KKQCGRJWLGPYQI-ZETCQYMHSA-N	-1	0	280.296	0.760	20	30		CCEDRM
C#CC[C@H](NC(=O)[C@@H]1COc2ccccc21)C(=O)[O-]	ZINC000149921696	854008671	/nfs/dbraw/zinc/00/86/71/854008671.db2.gz	QSBXTOIZTPQQIZ-MNOVXSKESA-N	-1	0	259.261	0.755	20	30		CCEDRM
C=CCCCC(=O)N1C[C@H](C)[C@H](NC(=O)c2cn[nH]n2)C1	ZINC001072632193	854433960	/nfs/dbraw/zinc/43/39/60/854433960.db2.gz	JMFUJKKGNBGRHT-CMPLNLGQSA-N	-1	0	291.355	0.738	20	30		CCEDRM
CC(C)C(C#N)=CNNc1nc2[nH][nH]cc-2c(=O)n1	ZINC001116348102	855750871	/nfs/dbraw/zinc/75/08/71/855750871.db2.gz	NFAOEDXGIVTMSF-ZETCQYMHSA-N	-1	0	259.273	0.625	20	30		CCEDRM
C[C@@H]1CC(=NN2CC(=O)N(C)C2=O)CC[C@@H]1C(=O)[O-]	ZINC001117704657	856052022	/nfs/dbraw/zinc/05/20/22/856052022.db2.gz	ZRGZYHGOIQQXDH-APPZFPTMSA-N	-1	0	267.285	0.757	20	30		CCEDRM
C=CCO[C@@H]1CCN(C(=O)[C@@H]2CC[C@@H](C(=O)[O-])O2)C1	ZINC001119008311	856527787	/nfs/dbraw/zinc/52/77/87/856527787.db2.gz	NYEODNHNGLJDFH-VWYCJHECSA-N	-1	0	269.297	0.422	20	30		CCEDRM
C#CC[C@@H](NC(=O)c1ncc(C)cc1OC)C(=O)[O-]	ZINC001119582108	856754906	/nfs/dbraw/zinc/75/49/06/856754906.db2.gz	SQNSEQZJQNEFGA-SECBINFHSA-N	-1	0	262.265	0.605	20	30		CCEDRM
N#CCC1(O)CN(C(=O)c2cccc(F)c2[O-])C1	ZINC001119893648	856910707	/nfs/dbraw/zinc/91/07/07/856910707.db2.gz	HRVMEWCDFGOOSV-UHFFFAOYSA-N	-1	0	250.229	0.632	20	30		CCEDRM
C=C(C)COCCNC(=O)C(=O)[N-]OCc1ccccc1	ZINC001323654780	912466126	/nfs/dbraw/zinc/46/61/26/912466126.db2.gz	STVPCICTFQHCHB-UHFFFAOYSA-N	-1	0	292.335	0.943	20	30		CCEDRM
C#Cc1ccccc1CC(=O)[N-]S(=O)(=O)N(CC)CC	ZINC001323918113	912577834	/nfs/dbraw/zinc/57/78/34/912577834.db2.gz	GCYDLFQOKRQSHG-UHFFFAOYSA-N	-1	0	294.376	0.913	20	30		CCEDRM
CC(C)(CCC#N)CNC(=O)c1n[nH]c(=O)[n-]c1=O	ZINC001324114341	912674307	/nfs/dbraw/zinc/67/43/07/912674307.db2.gz	WVDDMOIMUMGAEQ-UHFFFAOYSA-N	-1	0	265.273	0.343	20	30		CCEDRM
CCC/C=C/[C@@H](O)C(=O)N(CC#N)CCC(=O)[O-]	ZINC001595626315	981758904	/nfs/dbraw/zinc/75/89/04/981758904.db2.gz	QSNAEIQNLDLVQA-ORAHPGNNSA-N	-1	0	254.286	0.530	20	30		CCEDRM
CCCC[C@H](ON=C(C)C)C(=O)N[C@@H](CO)C(=O)[O-]	ZINC001595651537	982022862	/nfs/dbraw/zinc/02/28/62/982022862.db2.gz	HMVMWPWMVADOIH-UWVGGRQHSA-N	-1	0	274.317	0.519	20	30		CCEDRM
CSCC[C@H](O)C(=O)Nc1nc(C#N)c(C#N)[n-]1	ZINC001300045006	892046208	/nfs/dbraw/zinc/04/62/08/892046208.db2.gz	OMIZPAYPKQVXMF-QMMMGPOBSA-N	-1	0	265.298	0.206	20	30		CCEDRM
CCCO[N-]C(=O)C(=O)Nc1ccc(OCC#N)cc1	ZINC001326371462	913917453	/nfs/dbraw/zinc/91/74/53/913917453.db2.gz	ZOVUXNDTNDGMHC-UHFFFAOYSA-N	-1	0	277.280	0.985	20	30		CCEDRM
C=CCCC(=O)[N-]S(=O)(=O)c1ccc(C(=O)NC)cc1	ZINC000180116148	896213796	/nfs/dbraw/zinc/21/37/96/896213796.db2.gz	NBRJRKWGGVYOAR-UHFFFAOYSA-N	-1	0	296.348	0.817	20	30		CCEDRM
C=CCCONC(=O)c1c[nH]c2nc(=O)[n-]c(=O)c-2c1	ZINC001168627555	897906052	/nfs/dbraw/zinc/90/60/52/897906052.db2.gz	RJXOXVYCHXLNIM-UHFFFAOYSA-N	-1	0	276.252	0.674	20	30		CCEDRM
CN(Cc1nc(=O)o[n-]1)C(=O)CNc1ccc(C#N)cc1	ZINC001412292686	901624722	/nfs/dbraw/zinc/62/47/22/901624722.db2.gz	PJJUEAOCJBXCEM-UHFFFAOYSA-N	-1	0	287.279	0.305	20	30		CCEDRM
CN=[S@](C)(=O)CCNC(=O)c1[n-]c(=O)c(C#N)cc1C	ZINC001412382148	901677369	/nfs/dbraw/zinc/67/73/69/901677369.db2.gz	WVKURYFTPYZYQU-HXUWFJFHSA-N	-1	0	296.352	0.425	20	30		CCEDRM
N#Cc1cc(C(=O)N2CCOC[C@H]2c2nnn[n-]2)cs1	ZINC001412429243	901714515	/nfs/dbraw/zinc/71/45/15/901714515.db2.gz	CUZWLFQPGBMOBW-VIFPVBQESA-N	-1	0	290.308	0.347	20	30		CCEDRM
N#Cc1cn(CCNC(=O)CCC2CC2)c(=O)[n-]c1=O	ZINC001453839542	901736939	/nfs/dbraw/zinc/73/69/39/901736939.db2.gz	AAUFIPPAKJMUDU-UHFFFAOYSA-N	-1	0	276.296	0.127	20	30		CCEDRM
Cc1cc(C#N)c(=O)[n-]c1C(=O)N(C)[C@H](C)C[S@@](C)=O	ZINC001412753157	902039258	/nfs/dbraw/zinc/03/92/58/902039258.db2.gz	UWIKMOIVUJILOF-GSDQLPOLSA-N	-1	0	295.364	0.806	20	30		CCEDRM
CC#CCS(=O)(=O)[N-]C(=O)c1occ(C)c1C	ZINC001327558976	914619236	/nfs/dbraw/zinc/61/92/36/914619236.db2.gz	BXONOOIPAZNNPP-UHFFFAOYSA-N	-1	0	255.295	0.979	20	30		CCEDRM
Cc1cc(C#N)c(=O)[n-]c1C(=O)N1CCC[C@@H](O)CC1	ZINC001413024670	902498299	/nfs/dbraw/zinc/49/82/99/902498299.db2.gz	FUMNSJAXDMOFKI-LLVKDONJSA-N	-1	0	275.308	0.954	20	30		CCEDRM
CC(C)c1nnc(CCC(=O)N[C@H]2CCCN(O)C2=O)o1	ZINC001327591279	914639797	/nfs/dbraw/zinc/63/97/97/914639797.db2.gz	XAJVTEMTXHRCTA-VIFPVBQESA-N	-1	0	296.327	0.622	20	30		CCEDRM
COC(=O)c1ccc(C(=O)Nc2nc(C#N)c(C#N)[n-]2)n1C	ZINC001413191604	902773047	/nfs/dbraw/zinc/77/30/47/902773047.db2.gz	FIJQJKNASRUKQA-UHFFFAOYSA-N	-1	0	298.262	0.530	20	30		CCEDRM
CCn1ncn([N-]C(=O)N[C@H](CC#N)C(F)(F)F)c1=O	ZINC001413646537	903140810	/nfs/dbraw/zinc/14/08/10/903140810.db2.gz	MMGZDYSUMLGLGK-ZCFIWIBFSA-N	-1	0	292.221	0.162	20	30		CCEDRM
N#CC[C@H](NC(=O)NCc1n[nH]c(=O)[n-]1)C(F)(F)F	ZINC001413649131	903141211	/nfs/dbraw/zinc/14/12/11/903141211.db2.gz	QWVBJLPBEMRTMU-BYPYZUCNSA-N	-1	0	278.194	0.154	20	30		CCEDRM
Cn1c(=O)[n-]c(N2CCCCCCC2)c(C#N)c1=O	ZINC001336945927	921121296	/nfs/dbraw/zinc/12/12/96/921121296.db2.gz	GQIRJIYOXJSRTF-UHFFFAOYSA-N	-1	0	262.313	0.716	20	30		CCEDRM
C#C[C@@H](Oc1[n-]c(C)cc(=O)c1[N+](=O)[O-])C(=O)OCC	ZINC001231264867	903933639	/nfs/dbraw/zinc/93/36/39/903933639.db2.gz	VIJRYZATMYPALY-SECBINFHSA-N	-1	0	280.236	0.948	20	30		CCEDRM
Cc1cc(NC(=O)c2n[nH]c(=O)[n-]2)nn1CCC#N	ZINC001337009526	921152167	/nfs/dbraw/zinc/15/21/67/921152167.db2.gz	CPZDJVCCYCMRJD-UHFFFAOYSA-N	-1	0	261.245	0.181	20	30		CCEDRM
C#C[C@H](CO)NC(=O)Nc1cc(C(=O)[O-])cs1	ZINC001588370927	983323328	/nfs/dbraw/zinc/32/33/28/983323328.db2.gz	QYXQFGZBXPWHSY-SSDOTTSWSA-N	-1	0	254.267	0.562	20	30		CCEDRM
C=CC[C@@H](C)NC(=O)c1cccc(-n2[n-]nnc2=N)c1	ZINC001293502584	906481118	/nfs/dbraw/zinc/48/11/18/906481118.db2.gz	KQEBNDURJSUHFK-SECBINFHSA-N	-1	0	272.312	0.769	20	30		CCEDRM
O=C(NCC#C[C@H]1CCCCO1)c1c[n-]ncc1=O	ZINC001337460702	921254892	/nfs/dbraw/zinc/25/48/92/921254892.db2.gz	ZTYFEMNXTBYFEF-SNVBAGLBSA-N	-1	0	261.281	0.485	20	30		CCEDRM
Cn1c(=O)[n-]c(N2C[C@@H]3CCCC[C@@H]32)c(C#N)c1=O	ZINC001337916474	921302501	/nfs/dbraw/zinc/30/25/01/921302501.db2.gz	KUCBLCXGGILAKY-WPRPVWTQSA-N	-1	0	260.297	0.324	20	30		CCEDRM
CC[C@@H](C)CONc1[n-]c(=O)n(C)c(=O)c1C#N	ZINC001337992856	921332313	/nfs/dbraw/zinc/33/23/13/921332313.db2.gz	MFYZDJJMACGUBK-SSDOTTSWSA-N	-1	0	252.274	0.335	20	30		CCEDRM
C=C[C@@H](CC)CC(=O)NCCN(C)Cc1n[nH]c(=O)[n-]1	ZINC001492381549	907892316	/nfs/dbraw/zinc/89/23/16/907892316.db2.gz	NAICESRBVKIJLZ-JTQLQIEISA-N	-1	0	281.360	0.661	20	30		CCEDRM
C#CC[C@@H](COC)NC(=O)c1[n-]c(=O)c(C#N)cc1C	ZINC001301822657	907992089	/nfs/dbraw/zinc/99/20/89/907992089.db2.gz	JYMKZXJDJFRSAO-NSHDSACASA-N	-1	0	273.292	0.735	20	30		CCEDRM
C#C[C@H]1CC[C@H](NC(=O)c2n[nH]c(=O)[n-]c2=O)CC1	ZINC001303294549	908076975	/nfs/dbraw/zinc/07/69/75/908076975.db2.gz	MXKJRZHPRLMTKF-ZKCHVHJHSA-N	-1	0	262.269	0.205	20	30		CCEDRM
CC(=O)c1cccc(Cn2c(=O)[n-]cc(C#N)c2=O)c1	ZINC001307359560	908307170	/nfs/dbraw/zinc/30/71/70/908307170.db2.gz	JLZAMDFHKHGWQB-UHFFFAOYSA-N	-1	0	269.260	0.659	20	30		CCEDRM
N#Cc1c[n-]c(=O)n(Cc2cn3ccccc3n2)c1=O	ZINC001307359217	908308899	/nfs/dbraw/zinc/30/88/99/908308899.db2.gz	BSRGQHOXAKCSMW-UHFFFAOYSA-N	-1	0	267.248	0.104	20	30		CCEDRM
C[C@H](CN(C)C(=O)CSCC#N)c1nnn[n-]1	ZINC001338288972	921421615	/nfs/dbraw/zinc/42/16/15/921421615.db2.gz	TUDBVOKYUFIYIL-SSDOTTSWSA-N	-1	0	254.319	0.018	20	30		CCEDRM
COC(=O)C(C)(C)NC(=O)c1[n-]c(=O)c(C#N)cc1C	ZINC001417602979	921443789	/nfs/dbraw/zinc/44/37/89/921443789.db2.gz	ALBJCRWUSVGBAA-UHFFFAOYSA-N	-1	0	277.280	0.649	20	30		CCEDRM
C#C[C@H]1CCCN(c2nnc(-c3cnc[nH]c3=O)n2C)C1	ZINC001338521709	921496974	/nfs/dbraw/zinc/49/69/74/921496974.db2.gz	ZOKYWRZOSAPIAS-JTQLQIEISA-N	-1	0	284.323	0.827	20	30		CCEDRM
Cc1cc(C(=O)NCCc2nc(=O)o[n-]2)cc(C)c1C#N	ZINC001417731287	921582053	/nfs/dbraw/zinc/58/20/53/921582053.db2.gz	UUAGWEHXWDPGNR-UHFFFAOYSA-N	-1	0	286.291	0.824	20	30		CCEDRM
C=C[C@@H](COC)NC(=O)c1c[nH]c2nc(=O)[n-]c(=O)c-2c1	ZINC001320327296	910613494	/nfs/dbraw/zinc/61/34/94/910613494.db2.gz	DPJYLVSXFQBMBX-QMMMGPOBSA-N	-1	0	290.279	0.367	20	30		CCEDRM
C=CC[C@H](NC(=O)c1nn(C)cc1[N+](=O)[O-])C(=O)[O-]	ZINC001321205139	911158686	/nfs/dbraw/zinc/15/86/86/911158686.db2.gz	UZKFWFITNITGEL-LURJTMIESA-N	-1	0	268.229	0.087	20	30		CCEDRM
C=CC[C@@H](NS(=O)(=O)C[C@H](C)OC)C(=O)OCC	ZINC001321679861	911443397	/nfs/dbraw/zinc/44/33/97/911443397.db2.gz	PRNAIPBZFPOQKE-VHSXEESVSA-N	-1	0	279.358	0.449	20	30		CCEDRM
Cc1ccc(S(=O)(=O)[N-]C(=O)[C@@H](C)CC#N)cn1	ZINC001328335959	915118374	/nfs/dbraw/zinc/11/83/74/915118374.db2.gz	ARWJZRZIWQACOB-QMMMGPOBSA-N	-1	0	267.310	0.745	20	30		CCEDRM
N#CC1(C(=O)[N-]OCc2ccccn2)CCOCC1	ZINC001339524461	921747498	/nfs/dbraw/zinc/74/74/98/921747498.db2.gz	WBCPTAVRHZTADG-UHFFFAOYSA-N	-1	0	261.281	0.950	20	30		CCEDRM
N#CCCC[C@@H]([NH3+])C(=O)N1CCC[C@@H](c2n[nH]c(=O)[n-]2)C1	ZINC001329287461	915794018	/nfs/dbraw/zinc/79/40/18/915794018.db2.gz	LNNFTTNAUKIBAK-NXEZZACHSA-N	-1	0	292.343	0.237	20	30		CCEDRM
C=CCn1c(-c2cc(=O)[nH][n-]2)nnc1N1CCC[C@H]1C	ZINC001339710422	921803458	/nfs/dbraw/zinc/80/34/58/921803458.db2.gz	QYDYHWSJYYBVFS-SECBINFHSA-N	-1	0	274.328	0.677	20	30		CCEDRM
C=CCN1CC[C@@H]([N@@H+]2CCC[C@H](C(=O)[O-])C2)C1=O	ZINC001330797527	916876323	/nfs/dbraw/zinc/87/63/23/916876323.db2.gz	UOEXRTGBEWXDNI-WDEREUQCSA-N	-1	0	252.314	0.570	20	30		CCEDRM
N#CCCNC(=O)NCC1(C(=O)[O-])CCOCC1	ZINC001332141836	917898861	/nfs/dbraw/zinc/89/88/61/917898861.db2.gz	JOZCZCRCBIBIKH-UHFFFAOYSA-N	-1	0	255.274	0.081	20	30		CCEDRM
C=CC(C)(C)CCNC(=O)C(=O)N[C@H]1C[C@H](C(=O)[O-])C1	ZINC001332168987	917927574	/nfs/dbraw/zinc/92/75/74/917927574.db2.gz	RQPRJYLTJSMDGU-MGCOHNPYSA-N	-1	0	282.340	0.684	20	30		CCEDRM
CN(C(=O)C1(c2cccc(C#N)c2)CC1)c1nnn[n-]1	ZINC001332196107	917948624	/nfs/dbraw/zinc/94/86/24/917948624.db2.gz	OJVSWJNVIHWEOD-UHFFFAOYSA-N	-1	0	268.280	0.766	20	30		CCEDRM
C=CC[C@@H](NC(=O)NCCN(C)CC(F)(F)F)C(=O)[O-]	ZINC001333318298	918797690	/nfs/dbraw/zinc/79/76/90/918797690.db2.gz	YMBJKFWAGRRCAK-MRVPVSSYSA-N	-1	0	297.277	0.809	20	30		CCEDRM
C=CC[C@@H]1CCN(C(=O)C(=O)N[C@H]2C[C@H](C(=O)[O-])C2)C1	ZINC001333347457	918824147	/nfs/dbraw/zinc/82/41/47/918824147.db2.gz	YGFSXRFAFBPBED-GMTAPVOTSA-N	-1	0	280.324	0.390	20	30		CCEDRM
C#CC[C@@H](NC(=O)[C@@H]1COc2ccc(F)cc2C1)C(=O)[O-]	ZINC001334201320	919422441	/nfs/dbraw/zinc/42/24/41/919422441.db2.gz	GYDBQQHVQOYEFL-CMPLNLGQSA-N	-1	0	291.278	0.970	20	30		CCEDRM
C=CCOC[C@@H](NCc1ccnn1CC)C(=O)[O-]	ZINC001334778672	919759935	/nfs/dbraw/zinc/75/99/35/919759935.db2.gz	ZRKRCJVOKUKIPQ-LLVKDONJSA-N	-1	0	253.302	0.648	20	30		CCEDRM
C=CC[C@H](NC(=O)NCCn1cnnc1CC)C(=O)[O-]	ZINC001334961911	919865377	/nfs/dbraw/zinc/86/53/77/919865377.db2.gz	LYPQVZHARLLIJS-VIFPVBQESA-N	-1	0	281.316	0.169	20	30		CCEDRM
C=C(C)C[C@@H](NC(=O)/C=C(/C)CN1CCOCC1)C(=O)[O-]	ZINC001335003449	919892799	/nfs/dbraw/zinc/89/27/99/919892799.db2.gz	PXAJIRYWJVFTLB-KIWPFMIBSA-N	-1	0	296.367	0.801	20	30		CCEDRM
CCO[C@@H](C(=O)[N-]S(=O)(=O)CCCC#N)C(C)C	ZINC001335173406	919998007	/nfs/dbraw/zinc/99/80/07/919998007.db2.gz	SFAAJGKIWMMZGE-SNVBAGLBSA-N	-1	0	276.358	0.797	20	30		CCEDRM
Cn1c(=O)[n-]c(N[C@@H]2CCC(C)(C)C2)c(C#N)c1=O	ZINC001336578794	920851380	/nfs/dbraw/zinc/85/13/80/920851380.db2.gz	PDDHYVRGXYAEDU-MRVPVSSYSA-N	-1	0	262.313	0.936	20	30		CCEDRM
C#Cc1ccc(NC(=O)C(=O)[N-]OC[C@@H]2CCOC2)cc1	ZINC001336736422	920968325	/nfs/dbraw/zinc/96/83/25/920968325.db2.gz	RFSFVHSYFMYZEA-GFCCVEGCSA-N	-1	0	288.303	0.691	20	30		CCEDRM
CC/C=C(/F)C(=O)N1CC(n2cc(C#N)c(=O)[n-]c2=O)C1	ZINC001336814424	921034519	/nfs/dbraw/zinc/03/45/19/921034519.db2.gz	VAHCTUVNUZKOTP-XCVCLJGOSA-N	-1	0	292.270	0.467	20	30		CCEDRM
COc1cnc(C(=O)Nc2nc(C#N)c(C#N)[n-]2)c(F)c1	ZINC001418235432	921949695	/nfs/dbraw/zinc/94/96/95/921949695.db2.gz	HVYJFYPCWSAVHO-UHFFFAOYSA-N	-1	0	286.226	0.948	20	30		CCEDRM
COCCCCS(=O)(=O)[N-]C(=O)CSCC#N	ZINC001342677732	923046467	/nfs/dbraw/zinc/04/64/67/923046467.db2.gz	UEAZMLMFWALQDG-UHFFFAOYSA-N	-1	0	280.371	0.116	20	30		CCEDRM
C#C[C@H](NC(=O)N(C)CCCC(=O)[O-])[C@H]1CCCO1	ZINC001342699529	923056353	/nfs/dbraw/zinc/05/63/53/923056353.db2.gz	IMSAYJAPKJDIAN-WDEREUQCSA-N	-1	0	268.313	0.673	20	30		CCEDRM
COCCNC(=O)C(C#N)=C([O-])c1cccc2c1OCC2	ZINC001342707037	923061051	/nfs/dbraw/zinc/06/10/51/923061051.db2.gz	KATHFXPSOREUQZ-LBPRGKRZSA-N	-1	0	288.303	0.707	20	30		CCEDRM
Cc1c(C([O-])=C(C#N)C(=O)NC2CC2)nnn1C(C)C	ZINC001343385875	923291760	/nfs/dbraw/zinc/29/17/60/923291760.db2.gz	HNNCFSHHDXBILP-JTQLQIEISA-N	-1	0	275.312	0.769	20	30		CCEDRM
C=CCNC(=O)C(C#N)=C([O-])c1ccc(-n2ccnc2)nc1	ZINC001343469953	923334525	/nfs/dbraw/zinc/33/45/25/923334525.db2.gz	KAXAEGKBUCLDLS-LBPRGKRZSA-N	-1	0	295.302	0.892	20	30		CCEDRM
C[C@@]1(C#N)CN(C(=O)c2ccc3oc(=O)nc-3[n-]2)CCO1	ZINC001420292979	923511044	/nfs/dbraw/zinc/51/10/44/923511044.db2.gz	VPMKXOQASYUPOB-CYBMUJFWSA-N	-1	0	288.263	0.683	20	30		CCEDRM
C[C@@H](C(=O)C(C#N)=C([O-])c1nccn1C)n1cnc(C#N)n1	ZINC001344037118	923535785	/nfs/dbraw/zinc/53/57/85/923535785.db2.gz	UHGJDSQHUATSIN-IUCAKERBSA-N	-1	0	297.278	0.036	20	30		CCEDRM
C=CCOC[C@H](NC(=O)/C=C\c1nccs1)C(=O)[O-]	ZINC001344521524	923624046	/nfs/dbraw/zinc/62/40/46/923624046.db2.gz	AHOMJHXUVWQMGZ-TYRPZCRBSA-N	-1	0	282.321	0.928	20	30		CCEDRM
C#CCOc1ccc(C(=O)N2CC(C(=O)[O-])C2)cc1	ZINC001345156865	923813159	/nfs/dbraw/zinc/81/31/59/923813159.db2.gz	CMEQUGJDCMAXAO-UHFFFAOYSA-N	-1	0	259.261	0.855	20	30		CCEDRM
C=CCOCCCC(=O)NC[C@H](C(=O)[O-])[C@@H]1CCOC1	ZINC001345168848	923818091	/nfs/dbraw/zinc/81/80/91/923818091.db2.gz	FKDAOKPMEJOMLX-NEPJUHHUSA-N	-1	0	285.340	0.823	20	30		CCEDRM
C=C[C@H](COC)NS(=O)(=O)c1ccc(C(=O)[O-])cc1	ZINC001345282530	923846062	/nfs/dbraw/zinc/84/60/62/923846062.db2.gz	HGNCHBGODMXIPU-SNVBAGLBSA-N	-1	0	285.321	0.864	20	30		CCEDRM
N#CC1(C(=O)N2CC[C@@H]([C@H](F)C(=O)[O-])C2)CCC1	ZINC001345768714	923971411	/nfs/dbraw/zinc/97/14/11/923971411.db2.gz	MVGCMFZAHLGUSE-BDAKNGLRSA-N	-1	0	254.261	0.951	20	30		CCEDRM
N#Cc1ccc(C2CCN(C(=O)c3n[nH]c(=O)[n-]3)CC2)nc1	ZINC001420986282	924075650	/nfs/dbraw/zinc/07/56/50/924075650.db2.gz	DWECRCJLZNVDAK-UHFFFAOYSA-N	-1	0	298.306	0.797	20	30		CCEDRM
C#CCOCCNC(=O)N1CCC[C@](CC)(C(=O)[O-])C1	ZINC001346418498	924201805	/nfs/dbraw/zinc/20/18/05/924201805.db2.gz	SSLANJWJUNMYDG-AWEZNQCLSA-N	-1	0	282.340	0.923	20	30		CCEDRM
C#CCN(CC#C)c1nnc(-c2cc(=O)[nH][n-]2)n1CC(=C)C	ZINC001346514822	924245206	/nfs/dbraw/zinc/24/52/06/924245206.db2.gz	IZSIMSDTLDOQPV-UHFFFAOYSA-N	-1	0	296.334	0.151	20	30		CCEDRM
C=CCCC(=O)N[C@H](C(=O)[O-])[C@@H](O)c1ccncc1	ZINC001347562330	924479968	/nfs/dbraw/zinc/47/99/68/924479968.db2.gz	KHRKFRJBABWADZ-RYUDHWBXSA-N	-1	0	264.281	0.651	20	30		CCEDRM
C=CCCC[C@H](NC(=O)[C@@H]1OC[C@@H]2COCC[C@H]12)C(=O)[O-]	ZINC001347573116	924484418	/nfs/dbraw/zinc/48/44/18/924484418.db2.gz	AYYRACMWNBSOIA-ZDEQEGDKSA-N	-1	0	297.351	0.964	20	30		CCEDRM
C=CC[C@@H](NC(=O)[C@@H]1COCCN1CC(F)F)C(=O)[O-]	ZINC001350770080	925274324	/nfs/dbraw/zinc/27/43/24/925274324.db2.gz	XMNXVVTXLSZLTG-BDAKNGLRSA-N	-1	0	292.282	0.098	20	30		CCEDRM
C#CCN1CCC[C@H]1C(=O)NC[C@H]1[C@@H](C(=O)[O-])C1(F)F	ZINC001350788700	925281148	/nfs/dbraw/zinc/28/11/48/925281148.db2.gz	JJPCPAWSAKQEMG-GUBZILKMSA-N	-1	0	286.278	0.166	20	30		CCEDRM
C#CC1CCN(c2nnc(-c3cc(=O)n(C)[n-]3)n2C)CC1	ZINC001350983751	925327575	/nfs/dbraw/zinc/32/75/75/925327575.db2.gz	HTRNNUVRAYUYGJ-UHFFFAOYSA-N	-1	0	286.339	0.771	20	30		CCEDRM
C=C(C)CCC(=O)N1CCOC[C@@H]1c1nnn[n-]1	ZINC001353778864	925930371	/nfs/dbraw/zinc/93/03/71/925930371.db2.gz	VGTTZAJKCIEXNL-SECBINFHSA-N	-1	0	251.290	0.456	20	30		CCEDRM
Cc1ccnc(CNc2[n-]c(=O)n(C)c(=O)c2C#N)c1	ZINC001413886901	925994485	/nfs/dbraw/zinc/99/44/85/925994485.db2.gz	CSEJQMQQDOYPIG-UHFFFAOYSA-N	-1	0	271.280	0.261	20	30		CCEDRM
C=CC[C@@H](NC(=O)CC1CCN(OC)CC1)C(=O)[O-]	ZINC001354047052	925996679	/nfs/dbraw/zinc/99/66/79/925996679.db2.gz	KRTITWOGGONGFT-LLVKDONJSA-N	-1	0	270.329	0.795	20	30		CCEDRM
C#CCCN1CCN(C(=O)c2cccc(C(=O)[O-])n2)CC1	ZINC001354073550	926007881	/nfs/dbraw/zinc/00/78/81/926007881.db2.gz	OSSJQMNQEAZURF-UHFFFAOYSA-N	-1	0	287.319	0.561	20	30		CCEDRM
C=CCO[N-]C(=O)C(=O)Nc1ccnn1C1CCC1	ZINC001354341428	926089408	/nfs/dbraw/zinc/08/94/08/926089408.db2.gz	JXKBXHRNWGIMBM-UHFFFAOYSA-N	-1	0	264.285	0.780	20	30		CCEDRM
C=CCOC[C@@H](NCc1c(Cl)cnn1C)C(=O)[O-]	ZINC001356114410	926345351	/nfs/dbraw/zinc/34/53/51/926345351.db2.gz	UYENUGATYFGFPR-SECBINFHSA-N	-1	0	273.720	0.819	20	30		CCEDRM
C=CC(C)(C)CC(=O)N1CC(NC(=O)c2cn[nH]n2)C1	ZINC001356775484	926436164	/nfs/dbraw/zinc/43/61/64/926436164.db2.gz	KZUPRPMUPBCMCK-UHFFFAOYSA-N	-1	0	277.328	0.348	20	30		CCEDRM
Cn1c(=O)[n-]c(N2CCC[C@@H]2c2ncc[nH]2)c(C#N)c1=O	ZINC001413890235	926930729	/nfs/dbraw/zinc/93/07/29/926930729.db2.gz	YMRPPEWDNYPYHJ-SECBINFHSA-N	-1	0	286.295	0.010	20	30		CCEDRM
C=CC[C@H](NC(=O)[C@H](C)NC(=O)c1ccccc1)C(=O)[O-]	ZINC000150002325	926943810	/nfs/dbraw/zinc/94/38/10/926943810.db2.gz	CRLIVCFGRKEECF-JQWIXIFHSA-N	-1	0	290.319	0.950	20	30		CCEDRM
C=CC[C@H](NC(=O)c1ccn(C)c(=O)c1)C(=O)[O-]	ZINC000150308642	926950887	/nfs/dbraw/zinc/95/08/87/926950887.db2.gz	FDVVUDQFZVRWDV-VIFPVBQESA-N	-1	0	250.254	0.144	20	30		CCEDRM
Cc1cc(C#N)c(=O)[n-]c1C(=O)NCc1nncn1C	ZINC001362050223	927556542	/nfs/dbraw/zinc/55/65/42/927556542.db2.gz	YOKNMQXGBCJXJV-UHFFFAOYSA-N	-1	0	272.268	0.026	20	30		CCEDRM
Cc1cc(C#N)c(=O)[n-]c1C(=O)NCC[C@@H](C)[S@@](C)=O	ZINC001362230718	927753388	/nfs/dbraw/zinc/75/33/88/927753388.db2.gz	VRUWLTKSVLEIGU-GSDQLPOLSA-N	-1	0	295.364	0.854	20	30		CCEDRM
Cc1cc(C#N)c(=O)[n-]c1C(=O)N1CC(F)(F)C[C@@H]1CO	ZINC001362359256	927919750	/nfs/dbraw/zinc/91/97/50/927919750.db2.gz	XELWNJFJOBFTOI-SECBINFHSA-N	-1	0	297.261	0.809	20	30		CCEDRM
C[C@@H](NC(=O)Cn1cc(C#N)c(=O)[n-]c1=O)c1ccc[nH]1	ZINC001362421672	927997614	/nfs/dbraw/zinc/99/76/14/927997614.db2.gz	POTWBKHASZCBNN-MRVPVSSYSA-N	-1	0	287.279	0.026	20	30		CCEDRM
N#C[C@H]1CC[C@@H](NC(=O)c2c[n-]n3c2nccc3=O)C1	ZINC001362587901	928216394	/nfs/dbraw/zinc/21/63/94/928216394.db2.gz	LCZKTZVJAWIELO-DTWKUNHWSA-N	-1	0	271.280	0.445	20	30		CCEDRM
Cc1cc(C#N)c(=O)[n-]c1C(=O)N[C@@H]1C[C@@H](C)n2ncnc21	ZINC001362665113	928326477	/nfs/dbraw/zinc/32/64/77/928326477.db2.gz	KQYKUKNZFPHXMD-PSASIEDQSA-N	-1	0	298.306	0.995	20	30		CCEDRM
CCC(C)(C)[C@H](C)NC(=O)Cn1cc(C#N)c(=O)[n-]c1=O	ZINC001362667381	928328546	/nfs/dbraw/zinc/32/85/46/928328546.db2.gz	RTBIULNOEBTBCT-VIFPVBQESA-N	-1	0	292.339	0.761	20	30		CCEDRM
N#Cc1nc(NC(=O)[C@@H]2CCCn3ncnc32)[n-]c1C#N	ZINC001362868147	928592519	/nfs/dbraw/zinc/59/25/19/928592519.db2.gz	WHBPBYNNASWJBT-SSDOTTSWSA-N	-1	0	282.267	0.261	20	30		CCEDRM
COCc1ccc(Nc2[n-]c(=O)n(C)c(=O)c2C#N)cc1	ZINC001363155941	928927640	/nfs/dbraw/zinc/92/76/40/928927640.db2.gz	KSSHLEWGHBBEBA-UHFFFAOYSA-N	-1	0	286.291	0.835	20	30		CCEDRM
Cc1cc(C#N)c(=O)[n-]c1C(=O)N(C)C[C@@H]1COCCO1	ZINC001363223312	928994840	/nfs/dbraw/zinc/99/48/40/928994840.db2.gz	HFNWZXASUCFCBL-LLVKDONJSA-N	-1	0	291.307	0.455	20	30		CCEDRM
COC(=O)C[C@@H](C)NC(=O)c1[n-]c(=O)c(C#N)cc1C	ZINC001363701244	929497303	/nfs/dbraw/zinc/49/73/03/929497303.db2.gz	GDNVTUWXSWMLTC-MRVPVSSYSA-N	-1	0	277.280	0.649	20	30		CCEDRM
CCN(CCNC(=O)c1[nH]nc(C)c1[O-])C(=O)[C@@H](C)C#N	ZINC001373792252	930342510	/nfs/dbraw/zinc/34/25/10/930342510.db2.gz	BPHGKIIIQIZVOH-QMMMGPOBSA-N	-1	0	293.327	0.162	20	30		CCEDRM
Cc1onc(CC(=O)[N-]O[C@H](CO)C(C)C)c1C#N	ZINC001450098850	931232135	/nfs/dbraw/zinc/23/21/35/931232135.db2.gz	NRRZRYSDWOLLME-LLVKDONJSA-N	-1	0	267.285	0.462	20	30		CCEDRM
COC(=O)c1coc(C(C)=NNCCC(=O)[O-])c1	ZINC001610986336	970830992	/nfs/dbraw/zinc/83/09/92/970830992.db2.gz	YHSQGCBZYUBYIR-UHFFFAOYSA-N	-1	0	254.242	0.855	20	30		CCEDRM
Cc1ccc(CNC(=O)[C@](C)(C#N)CC(=O)[O-])c(=O)n1C	ZINC001611177493	970925163	/nfs/dbraw/zinc/92/51/63/970925163.db2.gz	YLFOPDJDVYVGOL-AWEZNQCLSA-N	-1	0	291.307	0.315	20	30		CCEDRM
C#CC1(O)CCN(C(=O)/C=C/c2ccc(C(=O)[O-])o2)CC1	ZINC001602672111	971236602	/nfs/dbraw/zinc/23/66/02/971236602.db2.gz	HXENNZADBYUABH-GQCTYLIASA-N	-1	0	289.287	0.978	20	30		CCEDRM
C#C[C@@H]1CCCCN1C(=O)C(=O)N1CCC(C(=O)[O-])CC1	ZINC001602673516	971240355	/nfs/dbraw/zinc/24/03/55/971240355.db2.gz	VYVHXFTXQYOJPE-GFCCVEGCSA-N	-1	0	292.335	0.324	20	30		CCEDRM
C#CC[C@H]1CCN(C(=O)Nc2ccn(CC(=O)[O-])n2)C1	ZINC001602675393	971248780	/nfs/dbraw/zinc/24/87/80/971248780.db2.gz	UENHUNPQOLLDFA-JTQLQIEISA-N	-1	0	276.296	0.845	20	30		CCEDRM
C#CCCCCCCN1CCS(=O)(=O)C[C@@H]1C(=O)[O-]	ZINC001602675639	971252131	/nfs/dbraw/zinc/25/21/31/971252131.db2.gz	GBRCYXBMJNKMOE-GFCCVEGCSA-N	-1	0	287.381	0.754	20	30		CCEDRM
C#CCCCn1nnnc1N(C)C[C@H](C)C(=O)[O-]	ZINC001602675749	971252945	/nfs/dbraw/zinc/25/29/45/971252945.db2.gz	NWBWRQYKTQOXDC-VIFPVBQESA-N	-1	0	251.290	0.243	20	30		CCEDRM
C#CCN(CC(=O)[O-])C(=O)C[C@H](C)c1cnn(C)c1	ZINC001602683122	971272006	/nfs/dbraw/zinc/27/20/06/971272006.db2.gz	ZYOSBDMUAOPLIL-JTQLQIEISA-N	-1	0	263.297	0.460	20	30		CCEDRM
C#CCN(CC(=O)[O-])C(=O)C[C@@H](C)c1cnn(C)c1	ZINC001602683123	971272226	/nfs/dbraw/zinc/27/22/26/971272226.db2.gz	ZYOSBDMUAOPLIL-SNVBAGLBSA-N	-1	0	263.297	0.460	20	30		CCEDRM
C#CCN(CC(=O)[O-])C(=O)Cc1nnc(-c2ccccc2)o1	ZINC001602683817	971276667	/nfs/dbraw/zinc/27/66/67/971276667.db2.gz	KLTGUXOGACXRSE-UHFFFAOYSA-N	-1	0	299.286	0.826	20	30		CCEDRM
C#CCN(CC(=O)[O-])C(=O)NC[C@H]1CCOC(C)(C)C1	ZINC001602685859	971283129	/nfs/dbraw/zinc/28/31/29/971283129.db2.gz	IIRSOFGXNWRVQI-NSHDSACASA-N	-1	0	282.340	0.921	20	30		CCEDRM
C#CCN(CC(=O)[O-])[C@H](C)c1nc(N)nc(Cl)n1	ZINC001602695665	971310213	/nfs/dbraw/zinc/31/02/13/971310213.db2.gz	OQHGNSJHFNUWFC-ZCFIWIBFSA-N	-1	0	269.692	0.188	20	30		CCEDRM
C#CCN(CC(=O)[O-])c1nnc([C@@H]2CCO[C@@H]2C)n1C	ZINC001602700867	971322233	/nfs/dbraw/zinc/32/22/33/971322233.db2.gz	MECTUKZLPFTYKD-NXEZZACHSA-N	-1	0	278.312	0.232	20	30		CCEDRM
C#CCN(CC(=O)[O-])c1nnc(COC2CCC2)n1CC	ZINC001602700817	971322249	/nfs/dbraw/zinc/32/22/49/971322249.db2.gz	KNJZKNRZJFKGNQ-UHFFFAOYSA-N	-1	0	292.339	0.891	20	30		CCEDRM
C#CCN(CCCNC(=O)OC(C)(C)C)CC(=O)[O-]	ZINC001602700928	971324304	/nfs/dbraw/zinc/32/43/04/971324304.db2.gz	OKNIIPNJTHYBDV-UHFFFAOYSA-N	-1	0	270.329	0.921	20	30		CCEDRM
C#CCO[C@H](C)C(=O)N1CCC[C@@H](CC(=O)[O-])C1	ZINC001602701919	971327446	/nfs/dbraw/zinc/32/74/46/971327446.db2.gz	CQJMSEYVSBXIRY-MNOVXSKESA-N	-1	0	253.298	0.738	20	30		CCEDRM
C#Cc1ccc(NC(=O)C(=O)N(CC)[C@@H](C)C(=O)[O-])cc1	ZINC001602704267	971332821	/nfs/dbraw/zinc/33/28/21/971332821.db2.gz	AHXGIMYCZUNZFP-JTQLQIEISA-N	-1	0	288.303	0.928	20	30		CCEDRM
C#CCO[C@H](C)C(=O)N1CCC[C@@H](C)[C@H]1C(=O)[O-]	ZINC001602702933	971332857	/nfs/dbraw/zinc/33/28/57/971332857.db2.gz	YPPLQZOBRNGIET-MXWKQRLJSA-N	-1	0	253.298	0.736	20	30		CCEDRM
C#CCSCCn1nnnc1N(C)C[C@H](C)C(=O)[O-]	ZINC001602704573	971335422	/nfs/dbraw/zinc/33/54/22/971335422.db2.gz	LMXPCRIXSFEUCL-VIFPVBQESA-N	-1	0	283.357	0.196	20	30		CCEDRM
C=CCC[C@@H](NC(=O)[C@@]1(C(=O)[O-])CCCO1)C(=O)OCC	ZINC001602719154	971381692	/nfs/dbraw/zinc/38/16/92/971381692.db2.gz	SUOMMQWACFVVRV-QMTHXVAHSA-N	-1	0	299.323	0.634	20	30		CCEDRM
C=CCN1CC[C@H](OC(=O)[C@]2(C(=O)[O-])CC2(C)C)C1=O	ZINC001602722947	971391067	/nfs/dbraw/zinc/39/10/67/971391067.db2.gz	CFKVVEPQZWJAPO-LKFCYVNXSA-N	-1	0	281.308	0.817	20	30		CCEDRM
C=CCO[C@H]1CCN(C(=O)[C@@](C)(OC)C(=O)[O-])C1	ZINC001602723250	971395293	/nfs/dbraw/zinc/39/52/93/971395293.db2.gz	XHFRQBIATOBMKV-JOYOIKCWSA-N	-1	0	257.286	0.280	20	30		CCEDRM
C=C[C@@H]1OCC[C@H]1NC(=O)[C@H]1CO[C@@H](CCC(=O)[O-])C1	ZINC001602731177	971412412	/nfs/dbraw/zinc/41/24/12/971412412.db2.gz	WVXKAWBRQUGEMT-KXNHARMFSA-N	-1	0	283.324	0.716	20	30		CCEDRM
CC#CCNC(=O)C(=O)Nc1cccc(C(=O)[O-])c1	ZINC001602735120	971417031	/nfs/dbraw/zinc/41/70/31/971417031.db2.gz	RDAZQTRRBPDIIR-UHFFFAOYSA-N	-1	0	260.249	0.463	20	30		CCEDRM
C[C@@H](C#N)N(C)C(=O)C1(CC(=O)[O-])CCOCC1	ZINC001602786005	971530634	/nfs/dbraw/zinc/53/06/34/971530634.db2.gz	AOSZIXDOPWZKKT-VIFPVBQESA-N	-1	0	254.286	0.628	20	30		CCEDRM
CN(C(=O)c1cn(CC(=O)[O-])nn1)c1ccc(C#N)cc1	ZINC000090719575	949130542	/nfs/dbraw/zinc/13/05/42/949130542.db2.gz	KRFAPQUVKONROL-UHFFFAOYSA-N	-1	0	285.263	0.511	20	30		CCEDRM
C#CCN(CC(=O)[O-])C[C@H]1COc2ccccc2O1	ZINC000092481804	949154773	/nfs/dbraw/zinc/15/47/73/949154773.db2.gz	UXKMFBITMKJSFW-NSHDSACASA-N	-1	0	261.277	0.846	20	30		CCEDRM
C#CCN(CC(=O)[O-])C(=O)NCCOCCCC	ZINC000092491252	949159212	/nfs/dbraw/zinc/15/92/12/949159212.db2.gz	BGVUUOVCJJWYNL-UHFFFAOYSA-N	-1	0	256.302	0.533	20	30		CCEDRM
CCC[C@@H](C#N)NC(=O)[C@H]1CCCN(CC(=O)[O-])C1=O	ZINC001589630563	949530207	/nfs/dbraw/zinc/53/02/07/949530207.db2.gz	JEQQKPSGGMENSK-VHSXEESVSA-N	-1	0	281.312	0.118	20	30		CCEDRM
CN(C(=O)[C@H]1CC(C(=O)[O-])=NO1)c1cccc(C#N)c1	ZINC000230759943	949713001	/nfs/dbraw/zinc/71/30/01/949713001.db2.gz	BBIPLVZNIWXRNW-LLVKDONJSA-N	-1	0	273.248	0.751	20	30		CCEDRM
CC(C)(C#N)CC(=O)Nc1ncn(CC(=O)[O-])n1	ZINC001602830335	971651549	/nfs/dbraw/zinc/65/15/49/971651549.db2.gz	NCWQGVSYZNUJBO-UHFFFAOYSA-N	-1	0	251.246	0.241	20	30		CCEDRM
CC(C)(C)[C@H](C#N)NC(=O)[C@H]1CC(C(=O)[O-])=NO1	ZINC001602847165	971682509	/nfs/dbraw/zinc/68/25/09/971682509.db2.gz	HXXIJAYVOKCLLC-SFYZADRCSA-N	-1	0	253.258	0.270	20	30		CCEDRM
CCOC(=O)C(C)(C)ON=C(C)c1cn(CC(=O)[O-])nn1	ZINC001590059119	950784470	/nfs/dbraw/zinc/78/44/70/950784470.db2.gz	XSKFWIMZHTWDND-UHFFFAOYSA-N	-1	0	298.299	0.445	20	30		CCEDRM
CC(C)(C#N)CNS(=O)(=O)c1cc(C(=O)[O-])ccn1	ZINC000381750604	971775385	/nfs/dbraw/zinc/77/53/85/971775385.db2.gz	RHZRUNMEPDPPDC-UHFFFAOYSA-N	-1	0	283.309	0.608	20	30		CCEDRM
C#CCCCCC(=O)N[C@H](C(=O)[O-])c1ccnn1C	ZINC000402572665	953358186	/nfs/dbraw/zinc/35/81/86/953358186.db2.gz	FEOGWTDENAJAJR-LBPRGKRZSA-N	-1	0	263.297	0.856	20	30		CCEDRM
O=C([O-])c1ccnc(NC(=O)N[C@@H]2CCCN(O)C2=O)c1	ZINC001594802186	953748366	/nfs/dbraw/zinc/74/83/66/953748366.db2.gz	NEYROLMFKMJKFL-MRVPVSSYSA-N	-1	0	294.267	0.282	20	30		CCEDRM
CC(C)[C@@H](C(=O)[O-])C(=O)OCC1(CC#N)COC1	ZINC001602970615	971977144	/nfs/dbraw/zinc/97/71/44/971977144.db2.gz	PGDQWTGJYMZPRA-VIFPVBQESA-N	-1	0	255.270	0.817	20	30		CCEDRM
C[C@@H]1CN(C(=O)[C@@]2(C(=O)[O-])CCCO2)C[C@@H](C)N1CC#N	ZINC001589374125	954234893	/nfs/dbraw/zinc/23/48/93/954234893.db2.gz	JCNBCSBZRFMVQJ-JTNHKYCSSA-N	-1	0	295.339	0.065	20	30		CCEDRM
CN(CC(=O)[O-])Cc1cn(CCc2ccc(C#N)cc2)nn1	ZINC001593722349	954258242	/nfs/dbraw/zinc/25/82/42/954258242.db2.gz	CFWPGDJYXLTTTK-UHFFFAOYSA-N	-1	0	299.334	0.909	20	30		CCEDRM
COC(=O)CCN(CC#N)C(=O)[C@@H]1CC[C@@H]1C(=O)[O-]	ZINC001593835691	955179095	/nfs/dbraw/zinc/17/90/95/955179095.db2.gz	GUYGYXWVHSDDIG-BDAKNGLRSA-N	-1	0	268.269	0.012	20	30		CCEDRM
COC(=O)CC[C@H](NC(=O)c1c[nH]c(C#N)c1)C(=O)[O-]	ZINC001593844074	955390194	/nfs/dbraw/zinc/39/01/94/955390194.db2.gz	LLSUOGYWBFYIJG-VIFPVBQESA-N	-1	0	279.252	0.023	20	30		CCEDRM
Cn1c(-c2coc(C#N)c2)nnc1N1CC[C@H](C(=O)[O-])C1	ZINC001594515531	955412433	/nfs/dbraw/zinc/41/24/33/955412433.db2.gz	JMNBOKCZXQAJKN-QMMMGPOBSA-N	-1	0	287.279	0.858	20	30		CCEDRM
COC(=O)CC[C@H](NC(=O)c1ccc(C#N)n1C)C(=O)[O-]	ZINC001593847051	955429254	/nfs/dbraw/zinc/42/92/54/955429254.db2.gz	FCCXZXNEXIOXKJ-VIFPVBQESA-N	-1	0	293.279	0.033	20	30		CCEDRM
Cn1cc(C(=O)/C=C/c2cc(C(=O)[O-])nn2C)nn1	ZINC001594526160	955503501	/nfs/dbraw/zinc/50/35/01/955503501.db2.gz	WUJWJBHUYACZIR-ONEGZZNKSA-N	-1	0	261.241	0.143	20	30		CCEDRM
C[C@H](CN(C)C(=O)c1cccc(C#CCO)c1)C(=O)[O-]	ZINC001589031552	955524151	/nfs/dbraw/zinc/52/41/51/955524151.db2.gz	QWYMLXHQXPARBR-LLVKDONJSA-N	-1	0	275.304	0.823	20	30		CCEDRM
Cn1nc(C(=O)[O-])cc1/C=C/C(=O)c1cnccn1	ZINC001594569317	955863629	/nfs/dbraw/zinc/86/36/29/955863629.db2.gz	RMZGQXDSJBMXBL-NSCUHMNNSA-N	-1	0	258.237	0.804	20	30		CCEDRM
CO[C@H](C(=O)[O-])C(=O)NCc1ccc(OCC#N)cc1	ZINC001593908646	955953855	/nfs/dbraw/zinc/95/38/55/955953855.db2.gz	JOKVLRFKLITOOC-NSHDSACASA-N	-1	0	278.264	0.305	20	30		CCEDRM
Cn1nccc1[C@H](NC(=O)c1ccc(C#N)n1C)C(=O)[O-]	ZINC001594590346	956051614	/nfs/dbraw/zinc/05/16/14/956051614.db2.gz	KSORZTMZUZOLRF-NSHDSACASA-N	-1	0	287.279	0.186	20	30		CCEDRM
N#C[C@]1(F)CCN(C(=O)c2ccc(C(=O)[O-])nc2)C1	ZINC001594601572	956136670	/nfs/dbraw/zinc/13/66/70/956136670.db2.gz	DHKBKKMSBBSGRK-GFCCVEGCSA-N	-1	0	263.228	0.858	20	30		CCEDRM
N#CCC1(O)CN(C(=O)c2coc(/C=C\C(=O)[O-])c2)C1	ZINC001594605470	956166826	/nfs/dbraw/zinc/16/68/26/956166826.db2.gz	CTFMQKQKLVIUHH-UPHRSURJSA-N	-1	0	276.248	0.478	20	30		CCEDRM
N#C[C@H]1CN(C(=O)N[C@H]2C[C@H](C(=O)[O-])C2)CCN1C1CC1	ZINC001594605736	956170823	/nfs/dbraw/zinc/17/08/23/956170823.db2.gz	JMYOZROMGVFHOY-NHCYSSNCSA-N	-1	0	292.339	0.231	20	30		CCEDRM
N#CC1CCN(C(=O)[C@H]2CCCN(CC(=O)[O-])C2=O)CC1	ZINC001594606111	956177131	/nfs/dbraw/zinc/17/71/31/956177131.db2.gz	QHVBLJIDJZNEBZ-LLVKDONJSA-N	-1	0	293.323	0.072	20	30		CCEDRM
N#CC[C@@H]1CCCN(CN2C[C@@H](C(=O)[O-])CC2=O)C1	ZINC001594606395	956182397	/nfs/dbraw/zinc/18/23/97/956182397.db2.gz	SNMHBPKEYWKDQU-QWRGUYRKSA-N	-1	0	265.313	0.503	20	30		CCEDRM
N#CCN(CC#N)C(=O)c1coc(/C=C\C(=O)[O-])c1	ZINC001594609673	956194718	/nfs/dbraw/zinc/19/47/18/956194718.db2.gz	GNNKIFDKWCJNQD-UPHRSURJSA-N	-1	0	259.221	0.867	20	30		CCEDRM
N#CCCN(CC1CC1)C(=O)[C@@H]1CC(C(=O)[O-])=NO1	ZINC001594609956	956197159	/nfs/dbraw/zinc/19/71/59/956197159.db2.gz	GQZCDHKHCZMNKK-JTQLQIEISA-N	-1	0	265.269	0.368	20	30		CCEDRM
N#CCCN(CCC#N)C(=O)c1cnc(C(=O)[O-])cn1	ZINC001594610179	956200217	/nfs/dbraw/zinc/20/02/17/956200217.db2.gz	NAAFPWIZKLDSBQ-UHFFFAOYSA-N	-1	0	273.252	0.444	20	30		CCEDRM
N#C[C@@]12CN(CCCCC(=O)[O-])C[C@@H]1CS(=O)(=O)C2	ZINC001594611520	956216698	/nfs/dbraw/zinc/21/66/98/956216698.db2.gz	VYTKJDLTKNMXHZ-PWSUYJOCSA-N	-1	0	286.353	0.111	20	30		CCEDRM
N#Cc1c(N)c([N+](=O)[O-])ccc1N1CC(C(=O)[O-])C1	ZINC001594614111	956228763	/nfs/dbraw/zinc/22/87/63/956228763.db2.gz	JGPBIMCOMDTXGT-UHFFFAOYSA-N	-1	0	262.225	0.569	20	30		CCEDRM
N#Cc1c[nH]c(C(=O)N2C[C@@H]3COC[C@]3(C(=O)[O-])C2)c1	ZINC001594614390	956230121	/nfs/dbraw/zinc/23/01/21/956230121.db2.gz	TZEOWVAWRKHSEQ-NOZJJQNGSA-N	-1	0	275.264	0.060	20	30		CCEDRM
N#Cc1cc(C(=O)Nc2ncn(CC(=O)[O-])n2)cs1	ZINC001594616199	956238634	/nfs/dbraw/zinc/23/86/34/956238634.db2.gz	KYBDHJYPKNWSCF-UHFFFAOYSA-N	-1	0	277.265	0.548	20	30		CCEDRM
N#Cc1cc(C(=O)OCC2(C(=O)[O-])CCOCC2)ccn1	ZINC001594616958	956244851	/nfs/dbraw/zinc/24/48/51/956244851.db2.gz	UXQYHCTUPZZCMF-UHFFFAOYSA-N	-1	0	290.275	0.991	20	30		CCEDRM
N#Cc1ccc(N[C@H]2CCCCN(CC(=O)[O-])C2=O)nc1	ZINC001594622770	956293390	/nfs/dbraw/zinc/29/33/90/956293390.db2.gz	LASKPAKXIJHKAU-NSHDSACASA-N	-1	0	288.307	0.831	20	30		CCEDRM
N#Cc1ccc(S(=O)(=O)N(CC(=O)[O-])C2CCC2)nc1	ZINC001594625871	956313735	/nfs/dbraw/zinc/31/37/35/956313735.db2.gz	YLVUAWAGIGLMSK-UHFFFAOYSA-N	-1	0	295.320	0.581	20	30		CCEDRM
N#Cc1cn(CC(=O)[O-])c(=O)n(CC2=CCCC2)c1=O	ZINC001594632885	956355768	/nfs/dbraw/zinc/35/57/68/956355768.db2.gz	GSXLHERFKSWLFY-UHFFFAOYSA-N	-1	0	275.264	0.077	20	30		CCEDRM
COC[C@@H](C#N)OC(=O)c1ccc(C(=O)[O-])cn1	ZINC001593952572	956407471	/nfs/dbraw/zinc/40/74/71/956407471.db2.gz	YVEJUXREVNTOLK-MRVPVSSYSA-N	-1	0	250.210	0.475	20	30		CCEDRM
C[C@H](Oc1ccccc1C#N)C(=O)OCC(=O)C(=O)[O-]	ZINC001589169327	956457148	/nfs/dbraw/zinc/45/71/48/956457148.db2.gz	ZYUHIZQELAGLJW-QMMMGPOBSA-N	-1	0	277.232	0.522	20	30		CCEDRM
C=CCNC(=O)c1ccc(NC(=O)COCC(=O)[O-])cc1	ZINC000041072768	957385635	/nfs/dbraw/zinc/38/56/35/957385635.db2.gz	QFLDQHBHLIEYQD-UHFFFAOYSA-N	-1	0	292.291	0.642	20	30		CCEDRM
COc1ccc(S(=O)(=O)NCCC#N)c(CC(=O)[O-])c1	ZINC000054156458	957522894	/nfs/dbraw/zinc/52/28/94/957522894.db2.gz	XZRXXRJMJCWPHR-UHFFFAOYSA-N	-1	0	298.320	0.514	20	30		CCEDRM
N#Cc1ncn(CCOc2ccccc2C(=O)[O-])n1	ZINC000061842068	957593126	/nfs/dbraw/zinc/59/31/26/957593126.db2.gz	VYFBDOLABLHNAR-UHFFFAOYSA-N	-1	0	258.237	0.927	20	30		CCEDRM
C#C[C@@H](NC(=O)[C@@]1(C(=O)[O-])CCCO1)C1CCOCC1	ZINC001588386910	957982862	/nfs/dbraw/zinc/98/28/62/957982862.db2.gz	DWZNZOULEWJLIO-BXUZGUMPSA-N	-1	0	281.308	0.165	20	30		CCEDRM
C#C[C@H](NC(=O)[C@]1(C(=O)[O-])C[C@H]1C)C1CCOCC1	ZINC001588387201	957986487	/nfs/dbraw/zinc/98/64/87/957986487.db2.gz	ZBLFQCPQEFUJHM-PUYPPJJSSA-N	-1	0	265.309	0.642	20	30		CCEDRM
C#C[C@@H](NC(=O)[C@@H](OC)C(=O)[O-])c1ccc(F)cc1	ZINC001588387402	957987178	/nfs/dbraw/zinc/98/71/78/957987178.db2.gz	IZVBXGHXZZDRDX-GHMZBOCLSA-N	-1	0	265.240	0.716	20	30		CCEDRM
C#CC[C@H](CCOC)NC(=O)N1CCC(C(=O)[O-])CC1	ZINC001588388912	958001009	/nfs/dbraw/zinc/00/10/09/958001009.db2.gz	IJLKESKBMDVEAD-GFCCVEGCSA-N	-1	0	282.340	0.921	20	30		CCEDRM
C#C[C@@H]1CCCN(C(=O)Nc2ccn(CC(=O)[O-])n2)C1	ZINC001588388803	958001080	/nfs/dbraw/zinc/00/10/80/958001080.db2.gz	GRJIKYHDCBKNHE-SNVBAGLBSA-N	-1	0	276.296	0.845	20	30		CCEDRM
C#C[C@H]1COCCN1C(=O)c1coc(/C=C/C(=O)[O-])c1	ZINC001588388822	958001538	/nfs/dbraw/zinc/00/15/38/958001538.db2.gz	HLFIWKOMOMYEEI-UFFNRZRYSA-N	-1	0	275.260	0.852	20	30		CCEDRM
C#CC1CCN(C(=O)C(=O)N(C)C[C@@H](C)C(=O)[O-])CC1	ZINC001588389092	958004051	/nfs/dbraw/zinc/00/40/51/958004051.db2.gz	MOPNWIZVNYRWBD-SNVBAGLBSA-N	-1	0	280.324	0.037	20	30		CCEDRM
C#CCC1(O)CCN(C(=O)NCC2(C(=O)[O-])CCC2)CC1	ZINC001588391393	958024108	/nfs/dbraw/zinc/02/41/08/958024108.db2.gz	GYYNRKBJPVBLSH-UHFFFAOYSA-N	-1	0	294.351	0.801	20	30		CCEDRM
C#CC[C@@H]1CCCN(C(=O)NCCOCC(=O)[O-])C1	ZINC001588391569	958025060	/nfs/dbraw/zinc/02/50/60/958025060.db2.gz	JLNWOSNFRVEDJD-LLVKDONJSA-N	-1	0	268.313	0.533	20	30		CCEDRM
C#CCC[C@@H](O)CNC(=O)NC[C@H](C(=O)[O-])C(C)C	ZINC001588391562	958025773	/nfs/dbraw/zinc/02/57/73/958025773.db2.gz	JKFVQOHZRUMTFX-MNOVXSKESA-N	-1	0	270.329	0.417	20	30		CCEDRM
C#CCC[C@@H](O)CNC(=O)/C=C\c1ccc(C(=O)[O-])o1	ZINC001588391740	958027148	/nfs/dbraw/zinc/02/71/48/958027148.db2.gz	NAWFGYKIEMAQBO-BJPMOSCESA-N	-1	0	277.276	0.882	20	30		CCEDRM
C#CCC1(O)CCN(C(=O)C2(C(=O)[O-])CCC2)CC1	ZINC001588392239	958031804	/nfs/dbraw/zinc/03/18/04/958031804.db2.gz	VSOXHPSIVJZJDT-UHFFFAOYSA-N	-1	0	265.309	0.618	20	30		CCEDRM
C#CCN(C(=O)C(=O)N[C@@H]1CC[C@H](C(=O)[O-])C1)C(C)C	ZINC001588396646	958051489	/nfs/dbraw/zinc/05/14/89/958051489.db2.gz	XAFVRHUWIWLWDC-WDEREUQCSA-N	-1	0	280.324	0.226	20	30		CCEDRM
C#CCN(CC(=O)[O-])C(=O)Cc1ccn(-c2ccccc2)n1	ZINC001588407480	958099885	/nfs/dbraw/zinc/09/98/85/958099885.db2.gz	PCBYKGCZIAPMLR-UHFFFAOYSA-N	-1	0	297.314	0.961	20	30		CCEDRM
C#CCN(CC(=O)[O-])C(=O)N[C@H]1C[C@@](C)(OC)C1(C)C	ZINC001588410595	958140751	/nfs/dbraw/zinc/14/07/51/958140751.db2.gz	XMZHVTWRIGJRSI-IINYFYTJSA-N	-1	0	282.340	0.919	20	30		CCEDRM
COc1cc2c(cc1F)C(=NNCCC(=O)[O-])C(=O)N2	ZINC001594068065	958161667	/nfs/dbraw/zinc/16/16/67/958161667.db2.gz	WOKGMBQPTQCHOH-UHFFFAOYSA-N	-1	0	281.243	0.555	20	30		CCEDRM
C#CCN(CC(=O)[O-])C(=O)c1c(F)ccc(O)c1F	ZINC001588417556	958175885	/nfs/dbraw/zinc/17/58/85/958175885.db2.gz	VTQUGECLJKAFLQ-UHFFFAOYSA-N	-1	0	269.203	0.830	20	30		CCEDRM
C#CCN(CC(=O)[O-])C(=O)c1oc(CC)nc1C	ZINC001588418769	958184868	/nfs/dbraw/zinc/18/48/68/958184868.db2.gz	RXIUDEWCKSKCBJ-UHFFFAOYSA-N	-1	0	250.254	0.705	20	30		CCEDRM
C#CCN(CC(=O)[O-])C(=O)c1cn(C)nc1C1CCC1	ZINC001588418752	958185413	/nfs/dbraw/zinc/18/54/13/958185413.db2.gz	RGSDAEAURVZUOK-UHFFFAOYSA-N	-1	0	275.308	0.848	20	30		CCEDRM
C#CCN(CC(=O)[O-])c1nnc(-c2cocn2)n1CC=C	ZINC001588426181	958228164	/nfs/dbraw/zinc/22/81/64/958228164.db2.gz	BEWLKHJUCNMUPF-UHFFFAOYSA-N	-1	0	287.279	0.643	20	30		CCEDRM
C#CCN(CC(=O)[O-])c1nnc(-c2nc(C)ns2)n1C	ZINC001588426471	958229582	/nfs/dbraw/zinc/22/95/82/958229582.db2.gz	MGDYHAQMKKEPNP-UHFFFAOYSA-N	-1	0	292.324	0.166	20	30		CCEDRM
C#CCN(CC(=O)[O-])c1nnc(-c2cc(C)on2)n1C	ZINC001588426630	958230786	/nfs/dbraw/zinc/23/07/86/958230786.db2.gz	SIKPPKMNXRDCAA-UHFFFAOYSA-N	-1	0	275.268	0.303	20	30		CCEDRM
C#CCN(CC(=O)[O-])c1nnc(C(C)(C)C)n1CCOC	ZINC001588427082	958239590	/nfs/dbraw/zinc/23/95/90/958239590.db2.gz	LSEPWGKXBIBJMA-UHFFFAOYSA-N	-1	0	294.355	0.746	20	30		CCEDRM
C#CCN(CC(=O)[O-])c1nnc([C@@H](O)/C=C\CC)n1CC	ZINC001588427107	958239766	/nfs/dbraw/zinc/23/97/66/958239766.db2.gz	MJLFRUJFSMLQTI-TVRMLOFPSA-N	-1	0	292.339	0.822	20	30		CCEDRM
C#CCN1CCC[C@H](NC(=O)N2CCC[C@@H](C(=O)[O-])C2)C1	ZINC001588430531	958257624	/nfs/dbraw/zinc/25/76/24/958257624.db2.gz	MXBCNXBLLNFOIX-OLZOCXBDSA-N	-1	0	293.367	0.590	20	30		CCEDRM
C#CCN1CCC[C@@H](NC(=O)N[C@H]2CCC[C@H]2C(=O)[O-])C1	ZINC001588430992	958264069	/nfs/dbraw/zinc/26/40/69/958264069.db2.gz	RPQUAOOHLLAABT-UPJWGTAASA-N	-1	0	293.367	0.637	20	30		CCEDRM
C#CCNC(=O)[C@@H](C)OC(=O)c1ccc(C(=O)[O-])cn1	ZINC001588431322	958267962	/nfs/dbraw/zinc/26/79/62/958267962.db2.gz	WHUYMZFVLPVURO-MRVPVSSYSA-N	-1	0	276.248	0.075	20	30		CCEDRM
C#CCNC(=O)[C@@H](C)OC(=O)[C@@H](C(=O)[O-])C(C)(C)C	ZINC001588431337	958268970	/nfs/dbraw/zinc/26/89/70/958268970.db2.gz	WJIRZTLUSOYRCV-RKDXNWHRSA-N	-1	0	269.297	0.414	20	30		CCEDRM
C#CCN(CCOc1ccc([N+](=O)[O-])cc1)CC(=O)[O-]	ZINC001588432258	958277425	/nfs/dbraw/zinc/27/74/25/958277425.db2.gz	HLMLEDHGPCOIJM-UHFFFAOYSA-N	-1	0	278.264	0.993	20	30		CCEDRM
C#Cc1ccc(C(=O)N2C[C@H]3COC[C@@]3(C(=O)[O-])C2)nc1	ZINC001588433874	958301652	/nfs/dbraw/zinc/30/16/52/958301652.db2.gz	XCTHLZSZIBRVKZ-NHYWBVRUSA-N	-1	0	286.287	0.236	20	30		CCEDRM
C#CCOc1ccc(NC(=O)COCC(=O)[O-])cc1	ZINC001588434134	958303363	/nfs/dbraw/zinc/30/33/63/958303363.db2.gz	ZLPBPVQOGAOJFZ-UHFFFAOYSA-N	-1	0	263.249	0.738	20	30		CCEDRM
N#Cc1nccn1CC(=O)N1CCC(C(=O)[O-])CC1	ZINC000094936860	958324022	/nfs/dbraw/zinc/32/40/22/958324022.db2.gz	ITCLNEIUPZBSLB-UHFFFAOYSA-N	-1	0	262.269	0.078	20	30		CCEDRM
C=C(C)CN(C)C(=O)C(=O)N1CCC(C)(C(=O)[O-])CC1	ZINC001588442463	958344099	/nfs/dbraw/zinc/34/40/99/958344099.db2.gz	QTYNWNSNUDVYJY-UHFFFAOYSA-N	-1	0	282.340	0.734	20	30		CCEDRM
C=C(C)C[C@H](NC(C)=O)C(=O)N[C@@H](CC)C(=O)[O-]	ZINC001588442583	958345614	/nfs/dbraw/zinc/34/56/14/958345614.db2.gz	SQDMACYCJWZLDC-UWVGGRQHSA-N	-1	0	256.302	0.437	20	30		CCEDRM
C=C(C)[C@H]1OCC[C@H]1C(=O)N[C@@H](CCC(=O)OC)C(=O)[O-]	ZINC001588444423	958359770	/nfs/dbraw/zinc/35/97/70/958359770.db2.gz	BIBMPWLZOBJBNS-JFGNBEQYSA-N	-1	0	299.323	0.490	20	30		CCEDRM
C=C(Cl)Cn1nnnc1N1CC[C@H](C(=O)[O-])[C@@H](C)C1	ZINC001588445978	958377854	/nfs/dbraw/zinc/37/78/54/958377854.db2.gz	XTSDVQCBEUGUQR-CBAPKCEASA-N	-1	0	285.735	0.973	20	30		CCEDRM
C=C[C@](C)(O)CC(=O)NC[C@@H]1CCC2(CC(C(=O)[O-])C2)O1	ZINC001588450938	958402081	/nfs/dbraw/zinc/40/20/81/958402081.db2.gz	IFNWYCMPPMTFDD-OPEKSYIUSA-N	-1	0	297.351	0.842	20	30		CCEDRM
C=CCC(F)(F)C(=O)N1CCO[C@](COC)(C(=O)[O-])C1	ZINC001588452716	958427360	/nfs/dbraw/zinc/42/73/60/958427360.db2.gz	IKTWNAKYQAVPCH-LLVKDONJSA-N	-1	0	293.266	0.526	20	30		CCEDRM
C=CCC[C@H](NC(=O)[C@](C)(OC)C(=O)[O-])C(=O)OCC	ZINC001588456972	958441596	/nfs/dbraw/zinc/44/15/96/958441596.db2.gz	DGUHRXZKQFDFSD-ZANVPECISA-N	-1	0	287.312	0.490	20	30		CCEDRM
C=CCC1(NC(=O)[C@@H]2CC(C(=O)[O-])=NO2)CCOCC1	ZINC001588457550	958451451	/nfs/dbraw/zinc/45/14/51/958451451.db2.gz	DTCFYAPJSLWPRY-JTQLQIEISA-N	-1	0	282.296	0.457	20	30		CCEDRM
C=CC[C@H](NC(=O)[C@@H]1CC[C@H]1C(=O)[O-])C(=O)OCC	ZINC001588458337	958460587	/nfs/dbraw/zinc/46/05/87/958460587.db2.gz	SGAXBFQDZZXSQJ-BBBLOLIVSA-N	-1	0	269.297	0.721	20	30		CCEDRM
C#CC1(F)CN(C(=O)NC[C@@H](C(=O)[O-])C(C)C)C1	ZINC001573319085	958470562	/nfs/dbraw/zinc/47/05/62/958470562.db2.gz	UZXNQEIRBLKQFQ-SECBINFHSA-N	-1	0	256.277	0.710	20	30		CCEDRM
C#CCN(CC(=O)[O-])Cc1ccnn1CCCOC	ZINC001573320281	958476823	/nfs/dbraw/zinc/47/68/23/958476823.db2.gz	JEHGMESHDWEDAY-UHFFFAOYSA-N	-1	0	265.313	0.439	20	30		CCEDRM
C=CCSCCn1nnnc1N1CCC(C(=O)[O-])CC1	ZINC001588469382	958514659	/nfs/dbraw/zinc/51/46/59/958514659.db2.gz	BVVAFMNKOCMEIN-UHFFFAOYSA-N	-1	0	297.384	0.893	20	30		CCEDRM
C=C[C@@H]1OCC[C@H]1CNC(=O)[C@@]1(C(=O)[O-])CCCO1	ZINC001573337529	958523599	/nfs/dbraw/zinc/52/35/99/958523599.db2.gz	QBYLTIYGTYXQEU-OUJBWJOFSA-N	-1	0	269.297	0.328	20	30		CCEDRM
C=CCn1c(N2CC[C@@](C)(C(=O)[O-])C2)nnc1C(C)(C)O	ZINC001588472463	958543675	/nfs/dbraw/zinc/54/36/75/958543675.db2.gz	MVRCBNVDSDMDSB-CQSZACIVSA-N	-1	0	294.355	0.993	20	30		CCEDRM
C=C(CC)CN1CCS(=O)(=O)C[C@H]1CC(=O)[O-]	ZINC000124788324	958545366	/nfs/dbraw/zinc/54/53/66/958545366.db2.gz	ZPTUKRSEKHTTGP-SNVBAGLBSA-N	-1	0	261.343	0.526	20	30		CCEDRM
C=C[C@@H]1OCC[C@H]1NC(=O)[C@H]1CC[C@@H](C(=O)[O-])C1	ZINC001588478273	958563517	/nfs/dbraw/zinc/56/35/17/958563517.db2.gz	BQQOSZXQUJQCJY-ZDCRXTMVSA-N	-1	0	253.298	0.947	20	30		CCEDRM
CC#CCN(C)C(=O)C(=O)N1CCC[C@@H](CC(=O)[O-])C1	ZINC001588479076	958577808	/nfs/dbraw/zinc/57/78/08/958577808.db2.gz	WGPRKGBOHIDXLV-NSHDSACASA-N	-1	0	280.324	0.181	20	30		CCEDRM
C[C@](C#N)(CC(=O)[O-])C(=O)N1CCc2ncccc21	ZINC001573359767	958586907	/nfs/dbraw/zinc/58/69/07/958586907.db2.gz	HIGPOYRKSVAYBM-CYBMUJFWSA-N	-1	0	259.265	0.975	20	30		CCEDRM
CC(=NNC[C@H]1CCSC1)c1cn(CC(=O)[O-])nn1	ZINC001588485629	958602872	/nfs/dbraw/zinc/60/28/72/958602872.db2.gz	AYUNNDYUGORAKN-SECBINFHSA-N	-1	0	283.357	0.429	20	30		CCEDRM
C[C@](C#N)(CC(=O)[O-])C(=O)Nc1cc(CO)cc(CO)c1	ZINC001573362893	958603439	/nfs/dbraw/zinc/60/34/39/958603439.db2.gz	GKBOZJVYMACHKN-CQSZACIVSA-N	-1	0	292.291	0.614	20	30		CCEDRM
CC(=NNCCc1ccccn1)c1cn(CC(=O)[O-])nn1	ZINC001588485874	958608374	/nfs/dbraw/zinc/60/83/74/958608374.db2.gz	NQLXOSXDIAPZKX-UHFFFAOYSA-N	-1	0	288.311	0.314	20	30		CCEDRM
C[C@](C#N)(CC(=O)[O-])C(=O)Nc1ncc2c(n1)COC2	ZINC001573364482	958615642	/nfs/dbraw/zinc/61/56/42/958615642.db2.gz	ORNICOHBYGHMRB-GFCCVEGCSA-N	-1	0	276.252	0.450	20	30		CCEDRM
CC(C)(O)[C@H]1CCN(C(=O)[C@](C)(C#N)CC(=O)[O-])C1	ZINC001588534018	958914110	/nfs/dbraw/zinc/91/41/10/958914110.db2.gz	CZSFESAIQXEKMI-ZANVPECISA-N	-1	0	268.313	0.610	20	30		CCEDRM
C[C@](C#N)(CC(=O)[O-])C(=O)N1CC[C@H]2NC(=O)CC[C@@H]2C1	ZINC001588535492	958930469	/nfs/dbraw/zinc/93/04/69/958930469.db2.gz	OPXTXHVNZNFMBB-GPCCPHFNSA-N	-1	0	293.323	0.118	20	30		CCEDRM
C[C@@](C#N)(CC(=O)[O-])C(=O)N[C@H]1CCn2cncc2C1	ZINC001588538820	958946142	/nfs/dbraw/zinc/94/61/42/958946142.db2.gz	OAHZXHGXMGVXKF-ZANVPECISA-N	-1	0	276.296	0.319	20	30		CCEDRM
C[C@](C#N)(CC(=O)[O-])C(=O)N1CCO[C@@H](C2CC2)C1	ZINC001588539038	958949556	/nfs/dbraw/zinc/94/95/56/958949556.db2.gz	UPQZWFKEPRMPQC-ZWNOBZJWSA-N	-1	0	266.297	0.628	20	30		CCEDRM
C[C@H](C#N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)[O-]	ZINC001588543819	958983420	/nfs/dbraw/zinc/98/34/20/958983420.db2.gz	TTWGDLNLSOCCFS-KCJUWKMLSA-N	-1	0	262.265	0.664	20	30		CCEDRM
C#CC[C@@H](NC(=O)[C@H](C)Oc1ccc(C#N)cc1)C(=O)[O-]	ZINC000149803751	959027805	/nfs/dbraw/zinc/02/78/05/959027805.db2.gz	LVYPIEAUZPEPNP-GXFFZTMASA-N	-1	0	286.287	0.918	20	30		CCEDRM
C[C@](C#N)(CC(=O)[O-])C(=O)NCC[C@]1(O)CCCOC1	ZINC001588558430	959086493	/nfs/dbraw/zinc/08/64/93/959086493.db2.gz	UYCQILVTQBBMDI-CHWSQXEVSA-N	-1	0	284.312	0.039	20	30		CCEDRM
CC(C)[N@H+](CC(=O)[O-])Cc1cc(=O)n2[n-]cc(C#N)c2n1	ZINC001573519798	959123051	/nfs/dbraw/zinc/12/30/51/959123051.db2.gz	YTGPFNLXXHXDSC-UHFFFAOYSA-N	-1	0	289.295	0.602	20	30		CCEDRM
CSC[C@@](C)(C#N)NC(=O)[C@H]1CC[C@H]1C(=O)[O-]	ZINC001594185827	959124164	/nfs/dbraw/zinc/12/41/64/959124164.db2.gz	RDDBPTZYFNGQCB-VAOFZXAKSA-N	-1	0	256.327	0.859	20	30		CCEDRM
CC(C)N(CC(=O)[O-])S(=O)(=O)c1ccc(C#N)cn1	ZINC001573546355	959208677	/nfs/dbraw/zinc/20/86/77/959208677.db2.gz	WHEFMEHWVAXVQH-UHFFFAOYSA-N	-1	0	283.309	0.437	20	30		CCEDRM
C[C@H](C(=O)[O-])C(=O)Nc1ccc(F)c(C#N)c1N	ZINC001588575212	959214088	/nfs/dbraw/zinc/21/40/88/959214088.db2.gz	HSISQQFFLLYXBN-YFKPBYRVSA-N	-1	0	251.217	0.939	20	30		CCEDRM
CC(C)[C@H](NS(=O)(=O)c1ccc(C#N)cn1)C(=O)[O-]	ZINC001573559559	959276079	/nfs/dbraw/zinc/27/60/79/959276079.db2.gz	XCEYBNVXTBRCDZ-JTQLQIEISA-N	-1	0	283.309	0.341	20	30		CCEDRM
C#C[C@@H](C)NS(=O)(=O)c1cc(C(=O)[O-])cs1	ZINC000166342603	959305694	/nfs/dbraw/zinc/30/56/94/959305694.db2.gz	LEHQTXWHSPTZMN-ZCFIWIBFSA-N	-1	0	259.308	0.746	20	30		CCEDRM
COC[C@@H](NC(=O)c1ccc(C#N)c(C)n1)C(=O)[O-]	ZINC000167373615	959344785	/nfs/dbraw/zinc/34/47/85/959344785.db2.gz	GRWHYNDAOXWYBW-SNVBAGLBSA-N	-1	0	263.253	0.091	20	30		CCEDRM
CC(C)(C#N)OC(=O)[C@H]1CCCN(CC(=O)[O-])C1=O	ZINC001588607561	959489937	/nfs/dbraw/zinc/48/99/37/959489937.db2.gz	KVCDOZJGHIREPM-QMMMGPOBSA-N	-1	0	268.269	0.155	20	30		CCEDRM
Cc1[nH]c(C#N)cc1C(=O)NCCOCCOCC(=O)[O-]	ZINC001594247518	959590572	/nfs/dbraw/zinc/59/05/72/959590572.db2.gz	JEKHWDQOEFEREF-UHFFFAOYSA-N	-1	0	295.295	0.042	20	30		CCEDRM
C[C@]1(C#N)CN(C(=O)Nc2cncc(C(=O)[O-])c2)CCO1	ZINC001573643792	959628513	/nfs/dbraw/zinc/62/85/13/959628513.db2.gz	RSUGFGGEPWKWAK-ZDUSSCGKSA-N	-1	0	290.279	0.926	20	30		CCEDRM
C#CCN(C)S(=O)(=O)c1ccc([N+](=O)[O-])cc1C(=O)[O-]	ZINC000228410836	960014346	/nfs/dbraw/zinc/01/43/46/960014346.db2.gz	HCONTIDILPCIQA-UHFFFAOYSA-N	-1	0	298.276	0.547	20	30		CCEDRM
C#CC[C@@H](NS(=O)(=O)c1ccc(C#N)cc1C)C(=O)[O-]	ZINC000230100323	960127352	/nfs/dbraw/zinc/12/73/52/960127352.db2.gz	IMWFPTFLHLVLTL-LLVKDONJSA-N	-1	0	292.316	0.622	20	30		CCEDRM
C#CC[C@@H](NC(=O)c1ccnc(Cl)c1)C(=O)[O-]	ZINC000236433492	960595117	/nfs/dbraw/zinc/59/51/17/960595117.db2.gz	DHPANMAJOWNXHY-MRVPVSSYSA-N	-1	0	252.657	0.941	20	30		CCEDRM
N#Cc1c(F)cccc1C(=O)NC[C@@]1(C(=O)[O-])CCOC1	ZINC001571042535	960599046	/nfs/dbraw/zinc/59/90/46/960599046.db2.gz	JYWBCUSFVJYTNC-AWEZNQCLSA-N	-1	0	292.266	0.918	20	30		CCEDRM
N#Cc1ncccc1S(=O)(=O)N1CC[C@H](C(=O)[O-])C1	ZINC000236439861	960600991	/nfs/dbraw/zinc/60/09/91/960600991.db2.gz	OWSPFDZKJCMGGM-QMMMGPOBSA-N	-1	0	281.293	0.048	20	30		CCEDRM
C[C@@H]1CC[C@@H](O)CN1C(=O)[C@](C)(C#N)CC(=O)[O-]	ZINC001574268586	960608161	/nfs/dbraw/zinc/60/81/61/960608161.db2.gz	RUPSHMABFVSTAR-LNLATYFQSA-N	-1	0	254.286	0.363	20	30		CCEDRM
CO[C@@H]1CC[C@@H](NC(=O)N2CCC(C#N)(C(=O)[O-])CC2)C1	ZINC001571056415	960733811	/nfs/dbraw/zinc/73/38/11/960733811.db2.gz	VDKPIIJQXXRZES-GHMZBOCLSA-N	-1	0	295.339	0.954	20	30		CCEDRM
N#Cc1cc(C(=O)NCC(=O)NCC(=O)[O-])ccc1Cl	ZINC001571056509	960738047	/nfs/dbraw/zinc/73/80/47/960738047.db2.gz	YMIUZFYXIUUNRY-UHFFFAOYSA-N	-1	0	295.682	0.142	20	30		CCEDRM
N#Cc1ccsc1C(=O)N[C@@H](CC1OCCO1)C(=O)[O-]	ZINC001571057527	960743654	/nfs/dbraw/zinc/74/36/54/960743654.db2.gz	GDNFDUOHTBDWBA-QMMMGPOBSA-N	-1	0	296.304	0.566	20	30		CCEDRM
CC[C@H](CNC(=O)NCC1(C#N)CCOCC1)C(=O)[O-]	ZINC001573797858	960785605	/nfs/dbraw/zinc/78/56/05/960785605.db2.gz	GTYLGUQVEOCMLR-SNVBAGLBSA-N	-1	0	283.328	0.717	20	30		CCEDRM
CC(C)[C@@H](C#N)N1CCN(C(=O)[C@]2(C(=O)[O-])C[C@H]2C)CC1	ZINC001588801770	961427272	/nfs/dbraw/zinc/42/72/72/961427272.db2.gz	GJGRIIVDAKVTJJ-JMSVASOKSA-N	-1	0	293.367	0.790	20	30		CCEDRM
Cn1ccc(NC(=O)[C@@](C)(C#N)CC(=O)[O-])cc1=O	ZINC001574457031	961521784	/nfs/dbraw/zinc/52/17/84/961521784.db2.gz	ZYDZLXFUHCNPRL-GFCCVEGCSA-N	-1	0	263.253	0.328	20	30		CCEDRM
N#Cc1ccc(CNC(=O)[C@H]2CC(C(=O)[O-])=NO2)s1	ZINC001574486099	961681342	/nfs/dbraw/zinc/68/13/42/961681342.db2.gz	QMYTUFOWICUKAX-SECBINFHSA-N	-1	0	279.277	0.465	20	30		CCEDRM
N#Cc1cnn(C(=O)[C@@H]2CO[C@H](CCC(=O)[O-])C2)c1N	ZINC001574493531	961721581	/nfs/dbraw/zinc/72/15/81/961721581.db2.gz	MZEPJJZTXLCGQS-IONNQARKSA-N	-1	0	278.268	0.247	20	30		CCEDRM
CC(C)C[C@@H](C#N)NC(=O)c1cn(CC(=O)[O-])nn1	ZINC001588845747	961858325	/nfs/dbraw/zinc/85/83/25/961858325.db2.gz	IGEHKMAJIZKKDI-QMMMGPOBSA-N	-1	0	265.273	0.031	20	30		CCEDRM
CC(C)C[C@H](CNC(=O)[C@H](C)n1cnc(C#N)n1)C(=O)[O-]	ZINC001588847120	961893375	/nfs/dbraw/zinc/89/33/75/961893375.db2.gz	BIDNPWXAKISLOD-VHSXEESVSA-N	-1	0	293.327	0.574	20	30		CCEDRM
COC(=O)CCCCNC(=O)[C@@](C)(C#N)CC(=O)[O-]	ZINC001574055356	962172650	/nfs/dbraw/zinc/17/26/50/962172650.db2.gz	LRJATTMKCYQAEL-GFCCVEGCSA-N	-1	0	270.285	0.450	20	30		CCEDRM
COC(=O)CCCCNC(=O)[C@](C)(C#N)CC(=O)[O-]	ZINC001574055357	962172940	/nfs/dbraw/zinc/17/29/40/962172940.db2.gz	LRJATTMKCYQAEL-LBPRGKRZSA-N	-1	0	270.285	0.450	20	30		CCEDRM
C#CCCCC(=O)N[C@H]1C[C@@H](C)N(C(=O)CNC(=O)[O-])C1	ZINC001573302361	962651249	/nfs/dbraw/zinc/65/12/49/962651249.db2.gz	ATODRNDMNGNTIE-MNOVXSKESA-N	-1	0	295.339	0.163	20	30		CCEDRM
C#CCCCC(=O)N(C)C1CN(C(=O)[C@@H]2C[C@H]2C(=O)[O-])C1	ZINC001573302383	962651632	/nfs/dbraw/zinc/65/16/32/962651632.db2.gz	AYCCGMHJAUZIRR-VXGBXAGGSA-N	-1	0	292.335	0.180	20	30		CCEDRM
CON1CCC(NC(=O)[C@@](C)(C#N)CC(=O)[O-])CC1	ZINC001574170154	962764574	/nfs/dbraw/zinc/76/45/74/962764574.db2.gz	WBQCTZRWRIKNGZ-GFCCVEGCSA-N	-1	0	269.301	0.133	20	30		CCEDRM
C=C(C)C[C@@H](NC(=O)[C@H]1CC[C@H]1C(=O)[O-])C(=O)OC	ZINC001573327011	962807135	/nfs/dbraw/zinc/80/71/35/962807135.db2.gz	AAFGBJJIRWQAHA-IVZWLZJFSA-N	-1	0	269.297	0.721	20	30		CCEDRM
C#CC[C@H](NS(=O)(=O)CCCCC#N)C(=O)[O-]	ZINC000274958117	962810483	/nfs/dbraw/zinc/81/04/83/962810483.db2.gz	HHTLQRVCYRHGCY-VIFPVBQESA-N	-1	0	258.299	0.076	20	30		CCEDRM
CC[C@](C)(C#N)C(=O)NC[C@@H](C(=O)[O-])[C@@H]1CCOC1	ZINC001520199340	962843532	/nfs/dbraw/zinc/84/35/32/962843532.db2.gz	KEBZHYQVURIKBB-GIPNMCIBSA-N	-1	0	268.313	0.780	20	30		CCEDRM
CC[C@](C)(C#N)C(=O)NC[C@H](C(=O)[O-])[C@H]1CCOC1	ZINC001520199342	962844383	/nfs/dbraw/zinc/84/43/83/962844383.db2.gz	KEBZHYQVURIKBB-OUJBWJOFSA-N	-1	0	268.313	0.780	20	30		CCEDRM
C=C1CC(C)(C(=O)N[C@H]2CCN(C(=O)CNC(=O)[O-])C2)C1	ZINC001573344262	962914253	/nfs/dbraw/zinc/91/42/53/962914253.db2.gz	QFPOSNCVCRUKFY-JTQLQIEISA-N	-1	0	295.339	0.327	20	30		CCEDRM
C=CC(C)(C)C(=O)N1CCC[C@@H](NC(=O)CNC(=O)[O-])C1	ZINC001573345760	962937494	/nfs/dbraw/zinc/93/74/94/962937494.db2.gz	ZZYSMBPEARVMRB-SNVBAGLBSA-N	-1	0	297.355	0.573	20	30		CCEDRM
C=C[C@@H](O)C(=O)Nc1nc2c(cccc2C(=O)[O-])[nH]1	ZINC001573348420	962959279	/nfs/dbraw/zinc/95/92/79/962959279.db2.gz	WUCODBFICKYZEV-MRVPVSSYSA-N	-1	0	261.237	0.747	20	30		CCEDRM
C=CCCC(=O)N(C)C1CN(C(=O)[C@@H]2C[C@@H]2C(=O)[O-])C1	ZINC001573353133	962998038	/nfs/dbraw/zinc/99/80/38/962998038.db2.gz	PNFBVZGFTUXSAV-MNOVXSKESA-N	-1	0	280.324	0.343	20	30		CCEDRM
N#Cc1ncc(N[C@H]2CC[C@@H](C(=O)[O-])C2)nc1C#N	ZINC001570979728	963079441	/nfs/dbraw/zinc/07/94/41/963079441.db2.gz	UPDMNBRIYVANPZ-SFYZADRCSA-N	-1	0	257.253	0.885	20	30		CCEDRM
Cc1nc(C#N)cc(N2CCO[C@H](CC(=O)[O-])C2)n1	ZINC000308145387	963261539	/nfs/dbraw/zinc/26/15/39/963261539.db2.gz	AALHNRMSVWRSMV-SNVBAGLBSA-N	-1	0	262.269	0.337	20	30		CCEDRM
N#C[C@H]1CN(C(=O)[C@H]2CC[C@@H](CCC(=O)[O-])O2)CCO1	ZINC001571019287	963329096	/nfs/dbraw/zinc/32/90/96/963329096.db2.gz	TXWRZQNOMYUCEU-GARJFASQSA-N	-1	0	282.296	0.150	20	30		CCEDRM
C#CCNC(=O)COc1cn(-c2ccccc2)nc1C(=O)[O-]	ZINC000314084102	963709387	/nfs/dbraw/zinc/70/93/87/963709387.db2.gz	FWAGRBWLLVREFW-UHFFFAOYSA-N	-1	0	299.286	0.699	20	30		CCEDRM
C#CCCCS(=O)(=O)N(CC(F)F)[C@@H](C)C(=O)[O-]	ZINC001588446349	964072355	/nfs/dbraw/zinc/07/23/55/964072355.db2.gz	FXLGSKNGXNDIJX-QMMMGPOBSA-N	-1	0	283.296	0.770	20	30		CCEDRM
C#CCN(CC(=O)[O-])C(=O)NCCCCSC	ZINC000229342186	967717933	/nfs/dbraw/zinc/71/79/33/967717933.db2.gz	YEZXPFHPBPCDCQ-UHFFFAOYSA-N	-1	0	258.343	0.859	20	30		CCEDRM
C#CCN(CC(=O)[O-])C(=O)NCc1cc(C)ccn1	ZINC000327986779	968050317	/nfs/dbraw/zinc/05/03/17/968050317.db2.gz	KHDZFNVNYSZZPU-UHFFFAOYSA-N	-1	0	261.281	0.619	20	30		CCEDRM
C[C@H](NC(=O)[C@@H]1CC(C(=O)[O-])=NO1)c1cccc(C#N)c1	ZINC001573611202	969822619	/nfs/dbraw/zinc/82/26/19/969822619.db2.gz	IWGKQXDCDRIFBV-UFBFGSQYSA-N	-1	0	287.275	0.965	20	30		CCEDRM
C[C@](C#N)(CC(=O)[O-])C(=O)N[C@H]1CCOC1(C)C	ZINC001609692910	970451496	/nfs/dbraw/zinc/45/14/96/970451496.db2.gz	DXXRIOPUFYPXCX-QPUJVOFHSA-N	-1	0	254.286	0.675	20	30		CCEDRM
C[C@](C#N)(CC(=O)[O-])C(=O)NCc1ncccc1O	ZINC001609693067	970453389	/nfs/dbraw/zinc/45/33/89/970453389.db2.gz	SMETYWYAKFGNJK-GFCCVEGCSA-N	-1	0	263.253	0.408	20	30		CCEDRM
CC1(C#N)CCN(C(=O)c2cnc(C(=O)[O-])cn2)CC1	ZINC001609811094	970539020	/nfs/dbraw/zinc/53/90/20/970539020.db2.gz	AJXYEGJTOWLFKJ-UHFFFAOYSA-N	-1	0	274.280	0.941	20	30		CCEDRM
C=CC[C@H](CO)NC(=O)Cc1ccccc1C(=O)[O-]	ZINC000320431935	970663886	/nfs/dbraw/zinc/66/38/86/970663886.db2.gz	HJDJJFOYCMNVLH-LLVKDONJSA-N	-1	0	263.293	0.981	20	30		CCEDRM
N#CCCNC(=O)C(=O)Nc1ccc(C(=O)[O-])cc1F	ZINC001610621555	970756934	/nfs/dbraw/zinc/75/69/34/970756934.db2.gz	LMTUORNNUVVAPX-UHFFFAOYSA-N	-1	0	279.227	0.492	20	30		CCEDRM
C=CC[C@@H](CC)NS(=O)(=O)N(C)CCC(=O)[O-]	ZINC000393757674	972637415	/nfs/dbraw/zinc/63/74/15/972637415.db2.gz	IIYXUGRBPKJKDC-SECBINFHSA-N	-1	0	264.347	0.582	20	30		CCEDRM
C[C@@H]1C[C@@]1(C(=O)[O-])C(=O)OC1CCN(CC#N)CC1	ZINC001605026203	972640219	/nfs/dbraw/zinc/64/02/19/972640219.db2.gz	YTWVPFBOOYMEET-NOZJJQNGSA-N	-1	0	266.297	0.628	20	30		CCEDRM
Cc1[nH]c(C#N)cc1C(=O)N[C@]1(C(=O)[O-])CCOC1	ZINC001605064245	972681274	/nfs/dbraw/zinc/68/12/74/972681274.db2.gz	FPOQCZPPUTVGOA-GFCCVEGCSA-N	-1	0	263.253	0.168	20	30		CCEDRM
COC(=O)[C@@H]1CCN(C(=O)[C@](C)(C#N)CC(=O)[O-])[C@@H]1C	ZINC001604290479	972892289	/nfs/dbraw/zinc/89/22/89/972892289.db2.gz	OMCROMSBTHVRGT-KKFJDGPESA-N	-1	0	282.296	0.401	20	30		CCEDRM
COC(=O)[C@@H]1CCN(C(=O)[C@](C)(C#N)CC(=O)[O-])[C@H]1C	ZINC001604290480	972892424	/nfs/dbraw/zinc/89/24/24/972892424.db2.gz	OMCROMSBTHVRGT-RWEMILLDSA-N	-1	0	282.296	0.401	20	30		CCEDRM
C[C@@H]1C[C@H](CNC(=O)[C@](C)(C#N)CC(=O)[O-])[C@H](C)O1	ZINC001603376306	972937600	/nfs/dbraw/zinc/93/76/00/972937600.db2.gz	WNBFNGARAZZWPW-COMAGPEQSA-N	-1	0	268.313	0.921	20	30		CCEDRM
CC[C@](C)(C#N)C(=O)N[C@@H](CCC(=O)OC)C(=O)[O-]	ZINC001603504811	973483959	/nfs/dbraw/zinc/48/39/59/973483959.db2.gz	QLVKZHLLQNLDSF-QPUJVOFHSA-N	-1	0	270.285	0.449	20	30		CCEDRM
COC[C@]1(C(=O)[O-])CCN(C(=O)NCC(C)(C)C#N)C1	ZINC001604532792	973487830	/nfs/dbraw/zinc/48/78/30/973487830.db2.gz	FTDURJNVFBMFEK-ZDUSSCGKSA-N	-1	0	283.328	0.669	20	30		CCEDRM
COC[C@]1(C(=O)[O-])CN(c2cc(C)ncc2C#N)CCO1	ZINC001604564058	973621494	/nfs/dbraw/zinc/62/14/94/973621494.db2.gz	FRWNODZZTDNAIE-AWEZNQCLSA-N	-1	0	291.307	0.568	20	30		CCEDRM
COCCN(CC#N)C(=O)[C@H]1CC[C@@H](C(=O)[O-])C1	ZINC001604584578	973676784	/nfs/dbraw/zinc/67/67/84/973676784.db2.gz	RQBHSCCVUMASHY-VHSXEESVSA-N	-1	0	254.286	0.486	20	30		CCEDRM
COCCN(CCC(=O)[O-])C(=O)NCCCC#N	ZINC001604599788	973698862	/nfs/dbraw/zinc/69/88/62/973698862.db2.gz	DJGVESQWRFJMGT-UHFFFAOYSA-N	-1	0	257.290	0.423	20	30		CCEDRM
N#C[C@@H](OC(=O)[C@H]1CCCN(CC(=O)[O-])C1=O)C1CC1	ZINC001605575747	973840446	/nfs/dbraw/zinc/84/04/46/973840446.db2.gz	DFFJNJYDXLFPAB-VHSXEESVSA-N	-1	0	280.280	0.155	20	30		CCEDRM
N#CC1(CNC(=O)N2CCC[C@@H](C(=O)[O-])C2)CCOCC1	ZINC001605576056	973843582	/nfs/dbraw/zinc/84/35/82/973843582.db2.gz	IWIQTWIFYIFTQS-LLVKDONJSA-N	-1	0	295.339	0.813	20	30		CCEDRM
N#CCC1(COC(=O)[C@H]2CO[C@@H](CCC(=O)[O-])C2)COC1	ZINC001605581488	973858147	/nfs/dbraw/zinc/85/81/47/973858147.db2.gz	AOSQXNQUEMGORV-MNOVXSKESA-N	-1	0	297.307	0.730	20	30		CCEDRM
N#CCCN(CC(F)(F)F)C(=O)COCC(=O)[O-]	ZINC001605586580	973882111	/nfs/dbraw/zinc/88/21/11/973882111.db2.gz	ZXGBVRIQKPSIQK-UHFFFAOYSA-N	-1	0	268.191	0.392	20	30		CCEDRM
N#Cc1cc(CN2CCO[C@@H](C(=O)[O-])C2)cs1	ZINC001605592079	973893335	/nfs/dbraw/zinc/89/33/35/973893335.db2.gz	SHJAPCNYTOFWQW-SNVBAGLBSA-N	-1	0	252.295	0.905	20	30		CCEDRM
N#CCc1cccc(NC(=O)C2(C(=O)[O-])CCOCC2)n1	ZINC001605601591	973905864	/nfs/dbraw/zinc/90/58/64/973905864.db2.gz	VXSGADZTTSAVMT-UHFFFAOYSA-N	-1	0	289.291	0.968	20	30		CCEDRM
N#Cc1cc(N2C[C@H](O)C[C@H](C(=O)[O-])C2)c([N+](=O)[O-])s1	ZINC000407258418	973921855	/nfs/dbraw/zinc/92/18/55/973921855.db2.gz	FTBILAOFHSBBMO-NKWVEPMBSA-N	-1	0	297.292	0.800	20	30		CCEDRM
N#Cc1cncnc1NC[C@H]1CCC2(CC(C(=O)[O-])C2)O1	ZINC001605626444	973953997	/nfs/dbraw/zinc/95/39/97/973953997.db2.gz	JLKWRXSOLSSMSE-GOSTWBGLSA-N	-1	0	288.307	0.594	20	30		CCEDRM
CCCN1C[C@H](CNC(=O)[C@@](C)(C#N)CC(=O)[O-])CC1=O	ZINC001603672533	974050149	/nfs/dbraw/zinc/05/01/49/974050149.db2.gz	JOFVLWDZUHECTC-IINYFYTJSA-N	-1	0	295.339	0.366	20	30		CCEDRM
CCn1cc(C#N)c(=O)n(CCC2(C(=O)[O-])CCC2)c1=O	ZINC001604006303	974510619	/nfs/dbraw/zinc/51/06/19/974510619.db2.gz	JJLZMAWITNBTGJ-UHFFFAOYSA-N	-1	0	291.307	0.547	20	30		CCEDRM
C[C@@H](CC#N)N(C)CC(=O)Nc1cccc(C(=O)[O-])n1	ZINC001592221980	977404021	/nfs/dbraw/zinc/40/40/21/977404021.db2.gz	QKUXGSQBXHVCAG-VIFPVBQESA-N	-1	0	276.296	0.952	20	30		CCEDRM
CC[C@@H](CC#N)OC(=O)Cn1cc(C(=O)[O-])cn1	ZINC001595029415	979157388	/nfs/dbraw/zinc/15/73/88/979157388.db2.gz	ASTUOXBVHDVTIG-VIFPVBQESA-N	-1	0	251.242	0.817	20	30		CCEDRM
CC[C@H](CC#N)NCC(=O)N[C@H](C(=O)[O-])C(C)C	ZINC001595029408	979157584	/nfs/dbraw/zinc/15/75/84/979157584.db2.gz	AQABJQILFVKRPD-KOLCDFICSA-N	-1	0	255.318	0.494	20	30		CCEDRM
CC[C@H](C)[C@@H](NC(=O)CN1CCO[C@@](C)(C#N)C1)C(=O)[O-]	ZINC001594892650	982298397	/nfs/dbraw/zinc/29/83/97/982298397.db2.gz	CHHLMCXQIOFGOR-SUHUHFCYSA-N	-1	0	297.355	0.216	20	30		CCEDRM
CCCNC(=O)CCC(=O)N1CCC(C#N)(C(=O)[O-])CC1	ZINC001595920850	983029713	/nfs/dbraw/zinc/02/97/13/983029713.db2.gz	VEWWKFZLYMYRMV-UHFFFAOYSA-N	-1	0	295.339	0.510	20	30		CCEDRM
N#Cc1ccc(C(=O)N[C@H](C[C@H]2CCCO2)C(=O)[O-])[nH]1	ZINC001574245717	983201519	/nfs/dbraw/zinc/20/15/19/983201519.db2.gz	YRTVPQMUSOIAAL-MWLCHTKSSA-N	-1	0	277.280	0.638	20	30		CCEDRM
C#C[C@@](C)(CC)NC(=O)CN1CCC[C@@H](C(=O)[O-])C1=O	ZINC001588366989	983296098	/nfs/dbraw/zinc/29/60/98/983296098.db2.gz	DHAPBTMZFVYFEU-YGRLFVJLSA-N	-1	0	280.324	0.228	20	30		CCEDRM
C#C[C@@](C)(CC)NC(=O)Cn1cccc(C(=O)[O-])c1=O	ZINC001588367448	983299525	/nfs/dbraw/zinc/29/95/25/983299525.db2.gz	TZKAQDRFNGXDBW-AWEZNQCLSA-N	-1	0	276.292	0.465	20	30		CCEDRM
CCCc1c(C(=O)N[C@H](C#N)CO)[nH]c(C)c1C(=O)[O-]	ZINC001596036469	983313732	/nfs/dbraw/zinc/31/37/32/983313732.db2.gz	KOENQRCQWLFZCT-MRVPVSSYSA-N	-1	0	279.296	0.588	20	30		CCEDRM
C#C[C@H](CC)NC(=O)N1CCC([C@H](O)C(=O)[O-])CC1	ZINC001588369801	983317311	/nfs/dbraw/zinc/31/73/11/983317311.db2.gz	WWNCPSNGSJAWBQ-MNOVXSKESA-N	-1	0	268.313	0.265	20	30		CCEDRM
C#CC1(F)CN(C(=O)Nc2cccc(CC(=O)[O-])n2)C1	ZINC001588375836	983347606	/nfs/dbraw/zinc/34/76/06/983347606.db2.gz	KNXIUIZFCQNHNZ-UHFFFAOYSA-N	-1	0	277.255	0.898	20	30		CCEDRM
C#C[C@@H](NS(=O)(=O)c1c[nH]c(C(=O)[O-])c1)[C@H]1CCCO1	ZINC001588376036	983349467	/nfs/dbraw/zinc/34/94/67/983349467.db2.gz	AQFKVKUWFDMAFS-MWLCHTKSSA-N	-1	0	298.320	0.172	20	30		CCEDRM
C#C[C@H](NS(=O)(=O)c1cc(C(=O)[O-])[nH]n1)C(C)(C)C	ZINC001588377014	983355361	/nfs/dbraw/zinc/35/53/61/983355361.db2.gz	IGCYJQOKFFFKKQ-QMMMGPOBSA-N	-1	0	285.325	0.434	20	30		CCEDRM
C#C[C@@H](NS(=O)(=O)[C@H]1CC[C@@H](C(=O)[O-])C1)C(C)C	ZINC001588378138	983360786	/nfs/dbraw/zinc/36/07/86/983360786.db2.gz	VKULOUJGDKJRQS-OUAUKWLOSA-N	-1	0	273.354	0.817	20	30		CCEDRM
C#CC1(O)CN(C(=O)Nc2ccc(CC(=O)[O-])c(F)c2)C1	ZINC001588379542	983364622	/nfs/dbraw/zinc/36/46/22/983364622.db2.gz	KMKDIBWXJLABME-UHFFFAOYSA-N	-1	0	292.266	0.665	20	30		CCEDRM
C#CC1(O)CN(c2ccc(/C=C\C(=O)[O-])cc2[N+](=O)[O-])C1	ZINC001588382212	983369422	/nfs/dbraw/zinc/36/94/22/983369422.db2.gz	JVVVFVGQGNLTFY-XQRVVYSFSA-N	-1	0	288.259	0.877	20	30		CCEDRM
C#CC1(O)CN([C@@H](C(=O)[O-])c2ccc(C#N)cc2)C1	ZINC001588382152	983369448	/nfs/dbraw/zinc/36/94/48/983369448.db2.gz	HUYDRKHJBJQKHN-GFCCVEGCSA-N	-1	0	256.261	0.364	20	30		CCEDRM
C#C[C@H]1CCCCN1C(=O)C(=O)N[C@H]1CC=C(C(=O)[O-])C1	ZINC001588382481	983371842	/nfs/dbraw/zinc/37/18/42/983371842.db2.gz	PTGHQMZFCZSJKF-RYUDHWBXSA-N	-1	0	290.319	0.290	20	30		CCEDRM
C#C[C@H]1COCCN1CC(=O)NC1(C(=O)[O-])CCCCC1	ZINC001588383678	983383411	/nfs/dbraw/zinc/38/34/11/983383411.db2.gz	HFHCZERVCBOTIJ-LBPRGKRZSA-N	-1	0	294.351	0.224	20	30		CCEDRM
C#C[C@@H]1COCCN1C(=O)c1ccc(C(=O)[O-])nc1	ZINC001588384100	983386872	/nfs/dbraw/zinc/38/68/72/983386872.db2.gz	VIIGDWREOMLTLS-SNVBAGLBSA-N	-1	0	260.249	0.254	20	30		CCEDRM
C#CC[C@H](COC)NC(=O)N1CCC2(C[C@@H]2C(=O)[O-])CC1	ZINC001588393078	983396294	/nfs/dbraw/zinc/39/62/94/983396294.db2.gz	AUSKBNCSMSBVNY-VXGBXAGGSA-N	-1	0	294.351	0.921	20	30		CCEDRM
C#CC[C@@H](NC(=O)[C@@H](C)n1nc(C)cc1C)C(=O)[O-]	ZINC001588398564	983412980	/nfs/dbraw/zinc/41/29/80/983412980.db2.gz	LIKAJKURPVUGIW-GHMZBOCLSA-N	-1	0	263.297	0.654	20	30		CCEDRM
C#CC[C@@H](NC(=O)C1=C(C)C(C)(C)OC1=O)C(=O)[O-]	ZINC001588398543	983413076	/nfs/dbraw/zinc/41/30/76/983413076.db2.gz	LDLYOTMUMRISSO-MRVPVSSYSA-N	-1	0	265.265	0.231	20	30		CCEDRM
C#CC[C@@H](NC(=O)[C@@H](C)CNC(=O)OC(C)(C)C)C(=O)[O-]	ZINC001588398605	983413734	/nfs/dbraw/zinc/41/37/34/983413734.db2.gz	LIUOWHAQSULCFW-VHSXEESVSA-N	-1	0	298.339	0.740	20	30		CCEDRM
CCCc1nc(Cn2cc(C(=O)[O-])cc(C#N)c2=O)no1	ZINC001596099450	983422684	/nfs/dbraw/zinc/42/26/84/983422684.db2.gz	HLTMOHMWHYANAS-UHFFFAOYSA-N	-1	0	288.263	0.802	20	30		CCEDRM
C#CC[C@@H](NC(=O)[C@H]1CC[C@@H](CCC(=O)[O-])O1)C(=O)OC	ZINC001588407680	983429004	/nfs/dbraw/zinc/42/90/04/983429004.db2.gz	MLZXSSBSCYMHPX-HBNTYKKESA-N	-1	0	297.307	0.080	20	30		CCEDRM
C#CC[C@H](NC(=O)Cc1cn2cc(F)ccc2n1)C(=O)[O-]	ZINC001588408073	983430234	/nfs/dbraw/zinc/43/02/34/983430234.db2.gz	WRTNXLKPYOMJFM-NSHDSACASA-N	-1	0	289.266	0.609	20	30		CCEDRM
C#CC[C@@H](NC(=O)Cc1cccc2nsnc21)C(=O)[O-]	ZINC001588408117	983430774	/nfs/dbraw/zinc/43/07/74/983430774.db2.gz	YDHLTSGDGKBQCC-SNVBAGLBSA-N	-1	0	289.316	0.827	20	30		CCEDRM
C#CC[C@@H](NC(=O)c1c(CC)c(CC)n[nH]c1=O)C(=O)[O-]	ZINC001588413981	983432961	/nfs/dbraw/zinc/43/29/61/983432961.db2.gz	LVSFVBQGVKIKSA-SNVBAGLBSA-N	-1	0	291.307	0.513	20	30		CCEDRM
C#CC[C@H](NC(=O)c1cc(C)ccc1-n1cnnc1)C(=O)[O-]	ZINC001588414457	983434174	/nfs/dbraw/zinc/43/41/74/983434174.db2.gz	SZXRHTYJMGMAHX-LBPRGKRZSA-N	-1	0	298.302	0.782	20	30		CCEDRM
C#CC[C@@H](NC(=O)c1cccc([S@@](C)=O)c1)C(=O)[O-]	ZINC001588416848	983437558	/nfs/dbraw/zinc/43/75/58/983437558.db2.gz	RPWUJEKMPWDFCF-NSPYISDASA-N	-1	0	279.317	0.630	20	30		CCEDRM
C#CC[C@@H](NC(=O)c1cnn2ccc(C)nc12)C(=O)[O-]	ZINC001588421133	983439502	/nfs/dbraw/zinc/43/95/02/983439502.db2.gz	BULLEUOPFLZIPS-SNVBAGLBSA-N	-1	0	272.264	0.244	20	30		CCEDRM
C#CC[C@H](NS(=O)(=O)CC1CC2(CCC2)C1)C(=O)[O-]	ZINC001588423311	983452236	/nfs/dbraw/zinc/45/22/36/983452236.db2.gz	CPILBQZLIJPWMS-NSHDSACASA-N	-1	0	285.365	0.963	20	30		CCEDRM
C#CCC[C@@H](O)CNC(=O)c1ccsc1CC(=O)[O-]	ZINC001588435259	983475469	/nfs/dbraw/zinc/47/54/69/983475469.db2.gz	IPABARMWKIWWBE-SECBINFHSA-N	-1	0	281.333	0.879	20	30		CCEDRM
C#CCCNS(=O)(=O)CC1(C(=O)[O-])CCCC1	ZINC001588453865	983478429	/nfs/dbraw/zinc/47/84/29/983478429.db2.gz	ZNVZFKHDMISKPX-UHFFFAOYSA-N	-1	0	259.327	0.574	20	30		CCEDRM
C#CCCOC(=O)N[C@@H](CCC1OCCO1)C(=O)[O-]	ZINC001588455551	983480151	/nfs/dbraw/zinc/48/01/51/983480151.db2.gz	PNQQDMHAXBKTPY-VIFPVBQESA-N	-1	0	271.269	0.342	20	30		CCEDRM
C#CCCOC(=O)N1CCC(n2cc(C(=O)[O-])nn2)CC1	ZINC001588455886	983480972	/nfs/dbraw/zinc/48/09/72/983480972.db2.gz	VIFFQDNVHIJMIY-UHFFFAOYSA-N	-1	0	292.295	0.773	20	30		CCEDRM
C#CCCS(=O)(=O)NCc1cc(C(=O)[O-])co1	ZINC001588458748	983483572	/nfs/dbraw/zinc/48/35/72/983483572.db2.gz	SZPJMFXJQWQBFK-UHFFFAOYSA-N	-1	0	257.267	0.421	20	30		CCEDRM
C#CCCn1nnnc1N1CCc2ccc(C(=O)[O-])cc2C1	ZINC001588458969	983484142	/nfs/dbraw/zinc/48/41/42/983484142.db2.gz	VTLZYSGCAQBOHK-UHFFFAOYSA-N	-1	0	297.318	0.957	20	30		CCEDRM
C#CCCS(=O)(=O)NC(C)(C)c1cc(C(=O)[O-])on1	ZINC001588459143	983484510	/nfs/dbraw/zinc/48/45/10/983484510.db2.gz	ZWWJXUMVVPOUOF-UHFFFAOYSA-N	-1	0	286.309	0.551	20	30		CCEDRM
C#CCN1CCC[C@H](NC(=O)C[C@H](C)CC(=O)[O-])C1	ZINC001588475327	983508321	/nfs/dbraw/zinc/50/83/21/983508321.db2.gz	BZDJPUHZXQCTEV-RYUDHWBXSA-N	-1	0	266.341	0.701	20	30		CCEDRM
C#CCN1CCN(Cn2ncc3cc(C(=O)[O-])ccc32)CC1	ZINC001588479169	983517865	/nfs/dbraw/zinc/51/78/65/983517865.db2.gz	ARFKQICJUVDSON-UHFFFAOYSA-N	-1	0	298.346	0.943	20	30		CCEDRM
C#CCNC(=O)[C@@H](C)OC(=O)CCCCC(=O)[O-]	ZINC001588479269	983518819	/nfs/dbraw/zinc/51/88/19/983518819.db2.gz	HIOUXMRBNPOVRQ-SECBINFHSA-N	-1	0	255.270	0.313	20	30		CCEDRM
C#CCOCCN(C)C(=O)CCCn1ccc(C(=O)[O-])n1	ZINC001588490193	983531444	/nfs/dbraw/zinc/53/14/44/983531444.db2.gz	VPOJJLNVVRPNFE-UHFFFAOYSA-N	-1	0	293.323	0.470	20	30		CCEDRM
C#CCO[C@H](C)C(=O)N[C@H]1C[C@@H]2C[C@]2(C(=O)[O-])C1	ZINC001588490432	983532598	/nfs/dbraw/zinc/53/25/98/983532598.db2.gz	MRTLYXPMFOTLDP-DNJQJEMRSA-N	-1	0	251.282	0.394	20	30		CCEDRM
C#CCOC(=O)Cc1[nH]c(C(C)=O)c(C)c1C(=O)[O-]	ZINC001588490570	983532972	/nfs/dbraw/zinc/53/29/72/983532972.db2.gz	PTUDJXJVDVZKSZ-UHFFFAOYSA-N	-1	0	263.249	0.943	20	30		CCEDRM
C#CCO[C@H](C)C(=O)N1[C@@H]2C[C@@H](C(=O)[O-])O[C@H]2CC[C@H]1C	ZINC001588490840	983534617	/nfs/dbraw/zinc/53/46/17/983534617.db2.gz	ZQRFUYHKCTVREG-KVSVUVNWSA-N	-1	0	295.335	0.646	20	30		CCEDRM
C#CCOCCNC(=O)N1CCSC[C@H](C(=O)[O-])C1	ZINC001588491431	983536580	/nfs/dbraw/zinc/53/65/80/983536580.db2.gz	MQBMTEIHJQFPHO-SNVBAGLBSA-N	-1	0	286.353	0.095	20	30		CCEDRM
C#CCOc1ccccc1CN1CC(O)(C(=O)[O-])C1	ZINC001588504480	983547789	/nfs/dbraw/zinc/54/77/89/983547789.db2.gz	XZLYWHZILQHODW-UHFFFAOYSA-N	-1	0	261.277	0.330	20	30		CCEDRM
C#CCSCC(=O)N[C@H](CC(F)(F)F)C(=O)[O-]	ZINC001588506282	983551271	/nfs/dbraw/zinc/55/12/71/983551271.db2.gz	ODFWLBJHKOUVOW-ZCFIWIBFSA-N	-1	0	269.244	0.875	20	30		CCEDRM
C#Cc1ccc(N[C@@H](C)C(=O)N[C@@H](C)C(=O)[O-])nc1	ZINC001588517674	983566033	/nfs/dbraw/zinc/56/60/33/983566033.db2.gz	DWUCZLIZTUNFKS-IUCAKERBSA-N	-1	0	261.281	0.453	20	30		CCEDRM
C#Cc1ccccc1CC(=O)N1CCOC[C@H]1C(=O)[O-]	ZINC001588524274	983574542	/nfs/dbraw/zinc/57/45/42/983574542.db2.gz	DMDMVFRVZZQUHO-ZDUSSCGKSA-N	-1	0	273.288	0.522	20	30		CCEDRM
C#Cc1cncc(C(=O)N(OC)[C@@H](C)CC(=O)[O-])c1	ZINC001588528650	983577522	/nfs/dbraw/zinc/57/75/22/983577522.db2.gz	DEVYSNWENIMCEL-VIFPVBQESA-N	-1	0	262.265	0.930	20	30		CCEDRM
C=C(C)[C@@H](CC(=O)N(CC(=O)[O-])CC(=O)OC)OCC	ZINC001588529874	983582706	/nfs/dbraw/zinc/58/27/06/983582706.db2.gz	KBJPEKQVZHXXNU-SNVBAGLBSA-N	-1	0	287.312	0.444	20	30		CCEDRM
C=C(C)[C@@H]1OCC[C@H]1CNC(=O)NC[C@H]1C[C@H]1C(=O)[O-]	ZINC001588535386	983588951	/nfs/dbraw/zinc/58/89/51/983588951.db2.gz	NPBFTDCWFTYCBY-QCNOEVLYSA-N	-1	0	282.340	0.988	20	30		CCEDRM
C=C(C)[C@@H]1OCC[C@H]1CN1C(=O)N[C@H](CCC(=O)[O-])C1=O	ZINC001588535438	983588991	/nfs/dbraw/zinc/58/89/91/983588991.db2.gz	OLTQKWIFHWKNPJ-UMNHJUIQSA-N	-1	0	296.323	0.753	20	30		CCEDRM
C=C(C)C[C@@H](CO)NC(=O)Nc1cc(C(=O)[O-])nn1C	ZINC001588535525	983589570	/nfs/dbraw/zinc/58/95/70/983589570.db2.gz	IRZUSXUVKRQVDR-QMMMGPOBSA-N	-1	0	282.300	0.567	20	30		CCEDRM
C=C(C)[C@@H](CO)n1cc(CO[C@H](C)C(=O)[O-])nn1	ZINC001588536641	983595242	/nfs/dbraw/zinc/59/52/42/983595242.db2.gz	ZXVPYTJJDSWWCQ-PSASIEDQSA-N	-1	0	255.274	0.377	20	30		CCEDRM
C=C(C)[C@H](CO)n1cc(CO[C@H](C)C(=O)[O-])nn1	ZINC001588536643	983595426	/nfs/dbraw/zinc/59/54/26/983595426.db2.gz	ZXVPYTJJDSWWCQ-SCZZXKLOSA-N	-1	0	255.274	0.377	20	30		CCEDRM
C=C(C)C[C@@H](NC(=O)[C@@H](O)c1ccccn1)C(=O)[O-]	ZINC001588537789	983602211	/nfs/dbraw/zinc/60/22/11/983602211.db2.gz	YFHAKLQDNXZZHZ-MNOVXSKESA-N	-1	0	264.281	0.651	20	30		CCEDRM
C=C(C)C[C@H](NC(=O)/C=C\c1ccc(C(N)=O)o1)C(=O)[O-]	ZINC001588541113	983606346	/nfs/dbraw/zinc/60/63/46/983606346.db2.gz	SIEORVPRIMYGIM-OAQKJQOQSA-N	-1	0	292.291	0.927	20	30		CCEDRM
CCN(CC(=O)[O-])S(=O)(=O)c1ccccc1CC#N	ZINC001596228381	983619675	/nfs/dbraw/zinc/61/96/75/983619675.db2.gz	IGHLIYZXMSFOTC-UHFFFAOYSA-N	-1	0	282.321	0.848	20	30		CCEDRM
CCN(C[C@@H](C)C#N)C(=O)CN1CCOC[C@H]1CC(=O)[O-]	ZINC001596229574	983621362	/nfs/dbraw/zinc/62/13/62/983621362.db2.gz	AXWNWLFNFCGMMG-NWDGAFQWSA-N	-1	0	297.355	0.170	20	30		CCEDRM
C=C(C)C[C@H](NC(=O)c1ns[nH]c1=O)C(=O)[O-]	ZINC001588548611	983624465	/nfs/dbraw/zinc/62/44/65/983624465.db2.gz	VQPOXHQUUHHPJH-YFKPBYRVSA-N	-1	0	257.271	0.393	20	30		CCEDRM
C=C(C)C[C@@H](NC(=O)c1ccnc2c1CCN2)C(=O)[O-]	ZINC001588548685	983624691	/nfs/dbraw/zinc/62/46/91/983624691.db2.gz	SMTKCWAWHNXFLF-LLVKDONJSA-N	-1	0	275.308	0.738	20	30		CCEDRM
C=C(C)C[C@H](NS(=O)(=O)C1(COC)CCC1)C(=O)[O-]	ZINC001588553938	983629422	/nfs/dbraw/zinc/62/94/22/983629422.db2.gz	VSFRWSPGXVIUBX-JTQLQIEISA-N	-1	0	291.369	0.894	20	30		CCEDRM
C=C(C)C[C@@H](NS(=O)(=O)c1ccc(C#N)o1)C(=O)[O-]	ZINC001588555500	983635137	/nfs/dbraw/zinc/63/51/37/983635137.db2.gz	KKCCDSLMOCQKLY-SECBINFHSA-N	-1	0	284.293	0.849	20	30		CCEDRM
C=C(C)C[C@H](NS(=O)(=O)c1ccc(C#N)o1)C(=O)[O-]	ZINC001588555501	983635724	/nfs/dbraw/zinc/63/57/24/983635724.db2.gz	KKCCDSLMOCQKLY-VIFPVBQESA-N	-1	0	284.293	0.849	20	30		CCEDRM
C=C(C)CCNC(=O)N1C[C@@H](C(=O)[O-])[C@H](C(=O)OC)C1	ZINC001588558997	983639461	/nfs/dbraw/zinc/63/94/61/983639461.db2.gz	GYWWTCXIKARABP-NXEZZACHSA-N	-1	0	284.312	0.468	20	30		CCEDRM
C=C(C)Cn1nnnc1N(C)Cc1ccc(C(=O)[O-])cn1	ZINC001588599549	983690520	/nfs/dbraw/zinc/69/05/20/983690520.db2.gz	WGIVDDPFKIHGSP-UHFFFAOYSA-N	-1	0	288.311	0.979	20	30		CCEDRM
C=C(CCC(=O)[O-])C(=O)N(C)Cc1cnn(C)c1	ZINC001588612372	983702986	/nfs/dbraw/zinc/70/29/86/983702986.db2.gz	OQHMXOAMPSHREP-UHFFFAOYSA-N	-1	0	251.286	0.800	20	30		CCEDRM
C=C(CCC(=O)[O-])C(=O)N1C[C@@H](C(N)=O)CC[C@H]1C	ZINC001588612590	983703392	/nfs/dbraw/zinc/70/33/92/983703392.db2.gz	SPUIHLRXJUGALG-ZJUUUORDSA-N	-1	0	268.313	0.520	20	30		CCEDRM
C=C(CCC(=O)[O-])C(=O)N1CCc2cnc(N)nc2C1	ZINC001588619585	983717560	/nfs/dbraw/zinc/71/75/60/983717560.db2.gz	YVLXDPSTSJZQET-UHFFFAOYSA-N	-1	0	276.296	0.365	20	30		CCEDRM
C=C(CCC(=O)[O-])C(=O)N[C@@]1(CC(=O)OC)CCOC1	ZINC001588621708	983720575	/nfs/dbraw/zinc/72/05/75/983720575.db2.gz	INQYUULXGCPEGH-CYBMUJFWSA-N	-1	0	285.296	0.246	20	30		CCEDRM
C=C(CCC(=O)[O-])C(=O)N[C@](CC)(C(N)=O)C(C)C	ZINC001588621901	983721334	/nfs/dbraw/zinc/72/13/34/983721334.db2.gz	MBVUBOPRXBFSCA-ZDUSSCGKSA-N	-1	0	270.329	0.814	20	30		CCEDRM
C=C(CCC(=O)[O-])C(=O)NC1(c2ncon2)CCOCC1	ZINC001588622203	983722455	/nfs/dbraw/zinc/72/24/55/983722455.db2.gz	REMQYVVGNWDRQG-UHFFFAOYSA-N	-1	0	295.295	0.613	20	30		CCEDRM
C=C(CCC(=O)[O-])C(=O)NC[C@H](O)c1cncs1	ZINC001588623081	983726407	/nfs/dbraw/zinc/72/64/07/983726407.db2.gz	JLYJNTRDMVOGSN-QMMMGPOBSA-N	-1	0	270.310	0.714	20	30		CCEDRM
C=C(COC(=O)Cn1cc(C(=O)[O-])cn1)C(=O)OCC	ZINC001588637250	983759549	/nfs/dbraw/zinc/75/95/49/983759549.db2.gz	KQWNFVSXMHJUDJ-UHFFFAOYSA-N	-1	0	282.252	0.244	20	30		CCEDRM
C=C(CO)C(=O)Nc1ccc2[nH]nc(C(=O)[O-])c2c1	ZINC001588637362	983759991	/nfs/dbraw/zinc/75/99/91/983759991.db2.gz	MLORCYVNICRUKW-UHFFFAOYSA-N	-1	0	261.237	0.748	20	30		CCEDRM
C=C(Cl)CNS(=O)(=O)c1cc(C(=O)[O-])[nH]n1	ZINC001588643570	983766614	/nfs/dbraw/zinc/76/66/14/983766614.db2.gz	LWIHZSDLAMUIHM-UHFFFAOYSA-N	-1	0	265.678	0.139	20	30		CCEDRM
C=C[C@H](C(=O)[O-])N1CCC(C)(C)S(=O)(=O)CC1	ZINC001588663782	983796731	/nfs/dbraw/zinc/79/67/31/983796731.db2.gz	PMMJNMICRANKQH-SECBINFHSA-N	-1	0	261.343	0.525	20	30		CCEDRM
C=C[C@H](C(=O)[O-])N(C)[C@@H]1CCN(CC(F)(F)F)C1=O	ZINC001588664477	983801311	/nfs/dbraw/zinc/80/13/11/983801311.db2.gz	QLQQTQWKDNDOKU-HTQZYQBOSA-N	-1	0	280.246	0.721	20	30		CCEDRM
C=C[C@](C)(O)CC(=O)N1CC[C@@H](C(=O)OC)C[C@@H]1C(=O)[O-]	ZINC001588684526	983860603	/nfs/dbraw/zinc/86/06/03/983860603.db2.gz	SJPOJPWTPFRNMU-RULNRJAQSA-N	-1	0	299.323	0.178	20	30		CCEDRM
C=C[C@H](COC)NC(=O)N1CC[C@H](C(=O)[O-])[C@@H]1C	ZINC001588692573	983883530	/nfs/dbraw/zinc/88/35/30/983883530.db2.gz	FAEOEZKKVARIGE-AEJSXWLSSA-N	-1	0	256.302	0.692	20	30		CCEDRM
C=C[C@H](COC)NC(=O)[C@H]1C[C@@H](C)[C@H](C(=O)[O-])O1	ZINC001588692940	983888345	/nfs/dbraw/zinc/88/83/45/983888345.db2.gz	NJVHYECSBVIFBE-ZYUZMQFOSA-N	-1	0	257.286	0.182	20	30		CCEDRM
C=C[C@H](N[C@@H](Cc1cncs1)C(=O)[O-])C(=O)OC	ZINC001588694898	983899593	/nfs/dbraw/zinc/89/95/93/983899593.db2.gz	FTQIBJQGITVKLP-IUCAKERBSA-N	-1	0	270.310	0.456	20	30		CCEDRM
C=C[C@H](Nc1ccc(OC)c(OCC(N)=O)c1)C(=O)[O-]	ZINC001588702057	983918329	/nfs/dbraw/zinc/91/83/29/983918329.db2.gz	HNCJFFXSCGKUSL-VIFPVBQESA-N	-1	0	280.280	0.610	20	30		CCEDRM
C=C[C@@H](O)C(=O)N[C@H](C(=O)[O-])c1ccc(OC)cc1OC	ZINC001588703927	983923021	/nfs/dbraw/zinc/92/30/21/983923021.db2.gz	BAXGHSUIILWHPO-PWSUYJOCSA-N	-1	0	295.291	0.493	20	30		CCEDRM
C=C[C@@H](OC(=O)COCc1ccncc1)C(=O)[O-]	ZINC001588711125	983936050	/nfs/dbraw/zinc/93/60/50/983936050.db2.gz	LZJYUCGHOPBKKN-SNVBAGLBSA-N	-1	0	251.238	0.781	20	30		CCEDRM
C=C[C@@H](OC(=O)c1cn(C[C@H]2CCOC2)nn1)C(=O)[O-]	ZINC001588711588	983938629	/nfs/dbraw/zinc/93/86/29/983938629.db2.gz	BKRQZGUMLHCFOH-PSASIEDQSA-N	-1	0	281.268	0.111	20	30		CCEDRM
C=C[C@@H](OC(=O)[C@@H]1CC12CCS(=O)(=O)CC2)C(=O)[O-]	ZINC001588711774	983939933	/nfs/dbraw/zinc/93/99/33/983939933.db2.gz	RDWWQJACYHIBKF-DTWKUNHWSA-N	-1	0	288.321	0.384	20	30		CCEDRM
C=C[C@@H](OC(=O)c1cn(CC2(C)COC2)nn1)C(=O)[O-]	ZINC001588712845	983946317	/nfs/dbraw/zinc/94/63/17/983946317.db2.gz	OBNFOJAVOPGFSY-SECBINFHSA-N	-1	0	281.268	0.111	20	30		CCEDRM
C=C[C@@H](OC(=O)[C@@H]1OCCO[C@@H]1C(F)(F)F)C(=O)[O-]	ZINC001588713273	983948671	/nfs/dbraw/zinc/94/86/71/983948671.db2.gz	TXGHXWHGCKXXBA-QYNIQEEDSA-N	-1	0	284.186	0.515	20	30		CCEDRM
C=C[C@H](Sc1nnc(-c2cc(C)[nH]n2)n1N)C(=O)[O-]	ZINC001588714519	983951812	/nfs/dbraw/zinc/95/18/12/983951812.db2.gz	ILEWHELGTIYMEO-ZETCQYMHSA-N	-1	0	280.313	0.422	20	30		CCEDRM
C=CC[C@@H](C)NC(=O)C(=O)Nc1cccc(C(=O)[O-])n1	ZINC001588736534	984026096	/nfs/dbraw/zinc/02/60/96/984026096.db2.gz	NMIRCAYUWYISQD-MRVPVSSYSA-N	-1	0	277.280	0.799	20	30		CCEDRM
C=CCC(F)(F)C(=O)N1CCC[C@@H]1C(=O)NCC(=O)[O-]	ZINC001588743490	984038274	/nfs/dbraw/zinc/03/82/74/984038274.db2.gz	YMLCJQODWIZQFW-MRVPVSSYSA-N	-1	0	290.266	0.390	20	30		CCEDRM
C=CC[C@H](CO)NC(=O)C(=O)Nc1cccc(C(=O)[O-])c1	ZINC001588744238	984041166	/nfs/dbraw/zinc/04/11/66/984041166.db2.gz	IZOHJPZLTZICSE-LLVKDONJSA-N	-1	0	292.291	0.377	20	30		CCEDRM
C=CC[C@@H](OC(=O)[C@H]1CCc2nncn2CC1)C(=O)[O-]	ZINC001588753537	984086721	/nfs/dbraw/zinc/08/67/21/984086721.db2.gz	JDINYADBHLWBRX-VHSXEESVSA-N	-1	0	279.296	0.803	20	30		CCEDRM
C=CC[C@@H](OC(=O)COc1c(C)occc1=O)C(=O)[O-]	ZINC001588753988	984090804	/nfs/dbraw/zinc/09/08/04/984090804.db2.gz	QVNFHDGRKLVTLD-SNVBAGLBSA-N	-1	0	282.248	0.900	20	30		CCEDRM
C=CC[C@@H](OC(=O)c1ccc(=O)n(CC)n1)C(=O)[O-]	ZINC001588757020	984100740	/nfs/dbraw/zinc/10/07/40/984100740.db2.gz	SGRVGQIRMSSJQG-SECBINFHSA-N	-1	0	266.253	0.449	20	30		CCEDRM
C=CC[C@@H](OC(=O)c1ccc2nnnn2c1)C(=O)[O-]	ZINC001588756994	984100764	/nfs/dbraw/zinc/10/07/64/984100764.db2.gz	RMJPHIDRBBUQAC-MRVPVSSYSA-N	-1	0	262.225	0.310	20	30		CCEDRM
C=CCCC(=O)NCCN(CC)C(=O)[C@@H]1C[C@H]1C(=O)[O-]	ZINC001588777012	984155107	/nfs/dbraw/zinc/15/51/07/984155107.db2.gz	RIEBVOGJWGANLO-GHMZBOCLSA-N	-1	0	282.340	0.638	20	30		CCEDRM
C=CCCCC(=O)N[C@H](Cn1cncn1)C(=O)[O-]	ZINC001588782512	984172834	/nfs/dbraw/zinc/17/28/34/984172834.db2.gz	GNVSLJUAPLPDGB-SECBINFHSA-N	-1	0	252.274	0.204	20	30		CCEDRM
C=CCCC[C@H](NC(=O)[C@H](C)CS(C)(=O)=O)C(=O)[O-]	ZINC001588787763	984187667	/nfs/dbraw/zinc/18/76/67/984187667.db2.gz	XXUDSNDJCFFHLB-ZJUUUORDSA-N	-1	0	291.369	0.593	20	30		CCEDRM
C=CCCC[C@H](NC(=O)[C@H]1CCC(=O)NC1)C(=O)[O-]	ZINC001588790326	984205872	/nfs/dbraw/zinc/20/58/72/984205872.db2.gz	VOCCCHFCWABRIS-UWVGGRQHSA-N	-1	0	268.313	0.438	20	30		CCEDRM
C=CCCCNC(=O)C(=O)N(C)[C@H]1C[C@@H](C(=O)[O-])C1	ZINC001588801694	984246812	/nfs/dbraw/zinc/24/68/12/984246812.db2.gz	USDMPBZXMXWINS-AOOOYVTPSA-N	-1	0	268.313	0.390	20	30		CCEDRM
C=CCCCNC(=O)N1C[C@H](C(=O)[O-])[C@@H](C(=O)OC)C1	ZINC001588803739	984251766	/nfs/dbraw/zinc/25/17/66/984251766.db2.gz	HIIGFNHYWIBYSV-UWVGGRQHSA-N	-1	0	284.312	0.468	20	30		CCEDRM
C=CCCCS(=O)(=O)N1CCc2[nH]nc(C(=O)[O-])c2C1	ZINC001588803959	984252811	/nfs/dbraw/zinc/25/28/11/984252811.db2.gz	PLYCKLCFGPLEQL-UHFFFAOYSA-N	-1	0	299.352	0.762	20	30		CCEDRM
C=CCCOCC(=O)N(C)[C@@H](COC(C)C)C(=O)[O-]	ZINC001588809069	984265285	/nfs/dbraw/zinc/26/52/85/984265285.db2.gz	XZCWGKQOEBDFSE-NSHDSACASA-N	-1	0	273.329	0.916	20	30		CCEDRM
C=CCCOCCNC(=O)N1C[C@@H](C)O[C@H](C(=O)[O-])C1	ZINC001588813398	984269665	/nfs/dbraw/zinc/26/96/65/984269665.db2.gz	RUTXVUHBHBFJTB-MNOVXSKESA-N	-1	0	286.328	0.463	20	30		CCEDRM
C=CCCOCCn1nnnc1N1CC[C@H](C(=O)[O-])[C@@H]1C	ZINC001588813374	984269883	/nfs/dbraw/zinc/26/98/83/984269883.db2.gz	QGVIEMPIAFILNE-QWRGUYRKSA-N	-1	0	295.343	0.565	20	30		CCEDRM
C=CCN([C@H](C)COC)S(=O)(=O)C[C@H](C)C(=O)[O-]	ZINC001588820788	984286311	/nfs/dbraw/zinc/28/63/11/984286311.db2.gz	RXNSGPUAOXYNAE-VHSXEESVSA-N	-1	0	279.358	0.560	20	30		CCEDRM
C=CCN(C)C(=O)C(=O)N1CCC[C@@H](CCC(=O)[O-])C1	ZINC001588822304	984288486	/nfs/dbraw/zinc/28/84/86/984288486.db2.gz	FRSFTIWQLXYNCK-NSHDSACASA-N	-1	0	282.340	0.734	20	30		CCEDRM
C=CCN(CCOC)C(=O)CC[C@@H]1C[C@H](C(=O)[O-])CO1	ZINC001588828731	984309202	/nfs/dbraw/zinc/30/92/02/984309202.db2.gz	LMDZDIVZPWMHNL-NWDGAFQWSA-N	-1	0	285.340	0.917	20	30		CCEDRM
C=CCN1CC[C@@H](NC(C)(C)c2nocc2C(=O)[O-])C1=O	ZINC001588838450	984338363	/nfs/dbraw/zinc/33/83/63/984338363.db2.gz	FLFWXSZBHUOARF-SNVBAGLBSA-N	-1	0	293.323	0.984	20	30		CCEDRM
C=CCN1CC[C@@H](N[C@H](Cc2cncs2)C(=O)[O-])C1=O	ZINC001588838783	984340681	/nfs/dbraw/zinc/34/06/81/984340681.db2.gz	JTQUEQJEWINWBB-GHMZBOCLSA-N	-1	0	295.364	0.515	20	30		CCEDRM
C=CCNC(=O)C(=O)Nc1ccc(OCC(=O)[O-])cc1C	ZINC001588838873	984342777	/nfs/dbraw/zinc/34/27/77/984342777.db2.gz	KQVVYVYLPIFGBH-UHFFFAOYSA-N	-1	0	292.291	0.699	20	30		CCEDRM
C=CCN1CC[C@@H](n2cc(CO[C@H](C)C(=O)[O-])nn2)C1=O	ZINC001588839496	984347799	/nfs/dbraw/zinc/34/77/99/984347799.db2.gz	RSNNEGZZMTZVFC-MWLCHTKSSA-N	-1	0	294.311	0.227	20	30		CCEDRM
C=CCNC(=O)CNc1ccc(C(=O)[O-])nc1C#N	ZINC001588844502	984358656	/nfs/dbraw/zinc/35/86/56/984358656.db2.gz	JITWMDFFAPLNDV-UHFFFAOYSA-N	-1	0	260.253	0.366	20	30		CCEDRM
C=CCNS(=O)(=O)c1cc([N+](=O)[O-])ccc1C(=O)[O-]	ZINC001588847496	984364716	/nfs/dbraw/zinc/36/47/16/984364716.db2.gz	BDTGKTFYSCGXPO-UHFFFAOYSA-N	-1	0	286.265	0.757	20	30		CCEDRM
C=CCNS(=O)(=O)c1ccc(C(=O)[O-])c(OC)c1	ZINC001588847908	984367670	/nfs/dbraw/zinc/36/76/70/984367670.db2.gz	SETBLHWRGUKJDM-UHFFFAOYSA-N	-1	0	271.294	0.858	20	30		CCEDRM
C=CCOC[C@@H](NC(=O)C(C)(C)c1cnn(C)c1)C(=O)[O-]	ZINC001588851111	984382843	/nfs/dbraw/zinc/38/28/43/984382843.db2.gz	USMVQXCEUPJLDP-LLVKDONJSA-N	-1	0	295.339	0.470	20	30		CCEDRM
C=CCOC[C@H](NC(=O)CCC1(O)CCC1)C(=O)[O-]	ZINC001588853784	984386402	/nfs/dbraw/zinc/38/64/02/984386402.db2.gz	ICUSZOMNPFZILH-JTQLQIEISA-N	-1	0	271.313	0.454	20	30		CCEDRM
C=CCOC[C@H](NC(=O)COCc1cccnc1)C(=O)[O-]	ZINC001588854023	984388141	/nfs/dbraw/zinc/38/81/41/984388141.db2.gz	OBRFTCQKWWZKMD-LBPRGKRZSA-N	-1	0	294.307	0.370	20	30		CCEDRM
C=CCOC[C@@H](NC(=O)/C=C/c1cncc(O)c1)C(=O)[O-]	ZINC001588854334	984389923	/nfs/dbraw/zinc/38/99/23/984389923.db2.gz	WRYHQAKIPXOSFT-AAOUONPWSA-N	-1	0	292.291	0.572	20	30		CCEDRM
C=CCOC[C@H](NC(=O)[C@H]1CCC[C@@H](C(N)=O)C1)C(=O)[O-]	ZINC001588855412	984392503	/nfs/dbraw/zinc/39/25/03/984392503.db2.gz	FZPANGHMLLQTGE-VWYCJHECSA-N	-1	0	298.339	0.050	20	30		CCEDRM
C=CCOC[C@H](NC(=O)[C@H]1CCOC[C@@H]1C)C(=O)[O-]	ZINC001588856029	984396284	/nfs/dbraw/zinc/39/62/84/984396284.db2.gz	UPPWPHKIOHATCL-DCAQKATOSA-N	-1	0	271.313	0.431	20	30		CCEDRM
C=CCOC[C@H](NC(=O)c1cn2cccnc2n1)C(=O)[O-]	ZINC001588860159	984411271	/nfs/dbraw/zinc/41/12/71/984411271.db2.gz	KPUWCOGHVLXDDF-JTQLQIEISA-N	-1	0	290.279	0.115	20	30		CCEDRM
C=CCOC[C@H](NC(=O)c1coc(OCC)n1)C(=O)[O-]	ZINC001588860436	984413146	/nfs/dbraw/zinc/41/31/46/984413146.db2.gz	UVEBPUDYKTVWMI-VIFPVBQESA-N	-1	0	284.268	0.459	20	30		CCEDRM
C=CCOC[C@@H](NC(=O)c1ccnn1C(F)F)C(=O)[O-]	ZINC001588860575	984414075	/nfs/dbraw/zinc/41/40/75/984414075.db2.gz	ZJJOXOHKVGTTDV-SSDOTTSWSA-N	-1	0	289.238	0.664	20	30		CCEDRM
C=CCOC[C@H](NC(=O)c1cccc2c[nH]nc21)C(=O)[O-]	ZINC001588861670	984415959	/nfs/dbraw/zinc/41/59/59/984415959.db2.gz	JLFWKJFIHPFLHD-NSHDSACASA-N	-1	0	289.291	0.949	20	30		CCEDRM
C=CCOC[C@@H](NS(=O)(=O)C1CCC1)C(=O)[O-]	ZINC001588865834	984420697	/nfs/dbraw/zinc/42/06/97/984420697.db2.gz	CTMYSEXOJZZBBP-SECBINFHSA-N	-1	0	263.315	0.114	20	30		CCEDRM
C=CCOC[C@H](NCc1nnn(C(C)(C)C)n1)C(=O)[O-]	ZINC001588866350	984424450	/nfs/dbraw/zinc/42/44/50/984424450.db2.gz	MOBGEALJEIDAOD-VIFPVBQESA-N	-1	0	283.332	0.174	20	30		CCEDRM
C=CCOCc1nnc(N2CCO[C@@H](C(=O)[O-])C2)n1CC	ZINC001588868887	984435964	/nfs/dbraw/zinc/43/59/64/984435964.db2.gz	YUJZRIPYBFZFNC-SNVBAGLBSA-N	-1	0	296.327	0.290	20	30		CCEDRM
C=CCc1cc(CN2CC(O)(C(=O)[O-])C2)cc(OC)c1O	ZINC001588885761	984469703	/nfs/dbraw/zinc/46/97/03/984469703.db2.gz	VMLDVMHTPOZGQV-UHFFFAOYSA-N	-1	0	293.319	0.761	20	30		CCEDRM
C=CCn1c(CCO)nnc1N1CCC[C@@](C)(C(=O)[O-])C1	ZINC001588900702	984521565	/nfs/dbraw/zinc/52/15/65/984521565.db2.gz	LPAIDVBLASVDKF-CQSZACIVSA-N	-1	0	294.355	0.690	20	30		CCEDRM
C=CCn1cc(C(=O)N(C)C(C)(C)C(=O)[O-])nn1	ZINC001588910099	984547227	/nfs/dbraw/zinc/54/72/27/984547227.db2.gz	LAFWCFWVKYXSSY-UHFFFAOYSA-N	-1	0	252.274	0.399	20	30		CCEDRM
C=CCn1nnn(CN2CC[C@](OC)(C(=O)[O-])C2)c1=S	ZINC001588912696	984552815	/nfs/dbraw/zinc/55/28/15/984552815.db2.gz	NHHYDYLTTNSWLJ-LLVKDONJSA-N	-1	0	299.356	0.128	20	30		CCEDRM
C=C[C@@H]1OCC[C@H]1C(=O)N[C@H](C(=O)[O-])C1CCOCC1	ZINC001588916724	984562952	/nfs/dbraw/zinc/56/29/52/984562952.db2.gz	ATRUVEXPRKMEEE-WOPDTQHZSA-N	-1	0	283.324	0.574	20	30		CCEDRM
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C=C[C@@H]1OCC[C@H]1C(=O)N1CC(F)(F)C[C@H]1C(=O)[O-]	ZINC001588917067	984565114	/nfs/dbraw/zinc/56/51/14/984565114.db2.gz	NICSOYWSDQUVNU-VGMNWLOBSA-N	-1	0	275.251	0.898	20	30		CCEDRM
C=C[C@@H]1OCC[C@H]1C(=O)N(CC(=O)[O-])C1CCOCC1	ZINC001588917236	984565674	/nfs/dbraw/zinc/56/56/74/984565674.db2.gz	RCOWPXVWCJJTEZ-NEPJUHHUSA-N	-1	0	283.324	0.670	20	30		CCEDRM
C=C[C@@H]1OCC[C@H]1C(=O)N1CCC[C@H](O)[C@@H]1C(=O)[O-]	ZINC001588917373	984566953	/nfs/dbraw/zinc/56/69/53/984566953.db2.gz	XWJSRGUYEYCRFK-VPOLOUISSA-N	-1	0	269.297	0.014	20	30		CCEDRM
C=C[C@@H]1OCC[C@H]1NC(=O)N1CCC(C(=O)[O-])CC1	ZINC001588919694	984573350	/nfs/dbraw/zinc/57/33/50/984573350.db2.gz	IVIJZQIUTFNXRV-MNOVXSKESA-N	-1	0	268.313	0.836	20	30		CCEDRM
CC#CCCCC(=O)N[C@H](Cn1cncn1)C(=O)[O-]	ZINC001588924700	984582724	/nfs/dbraw/zinc/58/27/24/984582724.db2.gz	BNASLSRQOXHHDB-SNVBAGLBSA-N	-1	0	264.285	0.041	20	30		CCEDRM
CC#CC[C@@H](CO)NC(=O)c1ccc(C(=O)[O-])s1	ZINC001588925948	984589924	/nfs/dbraw/zinc/58/99/24/984589924.db2.gz	BVMVYYUPKIEJCV-QMMMGPOBSA-N	-1	0	267.306	0.950	20	30		CCEDRM
C[C@H](NC(=O)[C@H](C)NC(=O)C#Cc1ccccc1)C(=O)[O-]	ZINC001599895145	984743771	/nfs/dbraw/zinc/74/37/71/984743771.db2.gz	IVPZQWIWFQLKFJ-QWRGUYRKSA-N	-1	0	288.303	0.132	20	30		CCEDRM
CC(=NNCC(C)(C)O)c1cncc(C(=O)[O-])c1	ZINC001589016950	984999401	/nfs/dbraw/zinc/99/94/01/984999401.db2.gz	QJEVLELAZNQIJS-UHFFFAOYSA-N	-1	0	251.286	0.864	20	30		CCEDRM
CC(=O)CCC(=O)N1CCC(C#N)(C(=O)[O-])CC1	ZINC001589030918	985066637	/nfs/dbraw/zinc/06/66/37/985066637.db2.gz	UAMXBNYTXOFEBJ-UHFFFAOYSA-N	-1	0	252.270	0.573	20	30		CCEDRM
CC(=O)NCCCCCn1cc(C(=O)[O-])cc(C#N)c1=O	ZINC001589136746	985437026	/nfs/dbraw/zinc/43/70/26/985437026.db2.gz	PLRFEZYWDJOMAX-UHFFFAOYSA-N	-1	0	291.307	0.725	20	30		CCEDRM
CC(=O)N[C@@H](CC(C)C)C(=O)N(CC#N)CCC(=O)[O-]	ZINC001589152609	985473993	/nfs/dbraw/zinc/47/39/93/985473993.db2.gz	FPSFPVXIEIKZHG-NSHDSACASA-N	-1	0	283.328	0.364	20	30		CCEDRM
Cc1c(C#N)c(=O)n(Cc2cc(C(=O)[O-])co2)c(=O)n1C	ZINC001599974080	986060379	/nfs/dbraw/zinc/06/03/79/986060379.db2.gz	JSXZHMNCGYLVNG-UHFFFAOYSA-N	-1	0	289.247	0.067	20	30		CCEDRM
Cc1c(C(=O)N[C@H](C)/C=C/C(=O)[O-])cnn1CCC#N	ZINC001599979004	986135531	/nfs/dbraw/zinc/13/55/31/986135531.db2.gz	PZADOVMIHSKRLA-XNPJLODASA-N	-1	0	276.296	0.864	20	30		CCEDRM
C[C@H](CNc1ncc(C(=O)[O-])cn1)N(C)C(=O)[C@@H](C)C#N	ZINC001589323640	986147761	/nfs/dbraw/zinc/14/77/61/986147761.db2.gz	IRCZFIUOUDDNTG-DTWKUNHWSA-N	-1	0	291.311	0.593	20	30		CCEDRM
C[C@H](C#N)CNS(=O)(=O)c1occc1C(=O)[O-]	ZINC001589330406	986172355	/nfs/dbraw/zinc/17/23/55/986172355.db2.gz	DCWXHDCVWGPTJT-ZCFIWIBFSA-N	-1	0	258.255	0.416	20	30		CCEDRM
C[C@H]1CN(c2ccc(C(=O)[O-])nc2C#N)C[C@H](CO)O1	ZINC001594569798	986384312	/nfs/dbraw/zinc/38/43/12/986384312.db2.gz	QXDNRHZQAGRADJ-DTWKUNHWSA-N	-1	0	277.280	0.237	20	30		CCEDRM
C[C@@H](C(=O)N[C@H](C(=O)[O-])C(C)(C)C)n1cnc(C#N)n1	ZINC001589423614	986681594	/nfs/dbraw/zinc/68/15/94/986681594.db2.gz	MMLFDTLQLFPDOW-IONNQARKSA-N	-1	0	279.300	0.326	20	30		CCEDRM
C[C@@H](C(=O)Nc1cccc(CC(=O)[O-])c1)n1cnc(C#N)n1	ZINC001589440047	986781614	/nfs/dbraw/zinc/78/16/14/986781614.db2.gz	QHOSBSOAELOLPX-VIFPVBQESA-N	-1	0	299.290	0.977	20	30		CCEDRM
C[C@H](C(=O)O[C@@H]1CCCC[C@H]1C(=O)[O-])n1cnc(C#N)n1	ZINC001589542692	987254733	/nfs/dbraw/zinc/25/47/33/987254733.db2.gz	FJBVOOPRYJWCOK-OPRDCNLKSA-N	-1	0	292.295	0.897	20	30		CCEDRM
CC(C)(C#N)CS(=O)(=O)NC[C@H]1C[C@H]1C(=O)[O-]	ZINC001589558432	987310192	/nfs/dbraw/zinc/31/01/92/987310192.db2.gz	PTBMHBYXGYHCPS-HTQZYQBOSA-N	-1	0	260.315	0.176	20	30		CCEDRM
CC(C)(C)C#CC(=O)N1CCC[C@H](O)[C@H]1C(=O)[O-]	ZINC001589682016	987716794	/nfs/dbraw/zinc/71/67/94/987716794.db2.gz	LYFSXXVXZCNJTG-ONGXEEELSA-N	-1	0	253.298	0.472	20	30		CCEDRM
C[C@@H](O)[C@H](NC(=O)Cc1cccc(OCC#N)c1)C(=O)[O-]	ZINC001599844037	988902564	/nfs/dbraw/zinc/90/25/64/988902564.db2.gz	TWFLZKKOANGCTA-RNCFNFMXSA-N	-1	0	292.291	0.082	20	30		CCEDRM
C[C@@H]1CN(C(=O)c2csc(C#N)c2)C[C@@H](C(=O)[O-])O1	ZINC001599863953	989212656	/nfs/dbraw/zinc/21/26/56/989212656.db2.gz	DUONAXSFYXAMJS-XCBNKYQSSA-N	-1	0	280.305	0.934	20	30		CCEDRM
CCc1oc(C(=O)[O-])cc1S(=O)(=O)N[C@@H](C)C#N	ZINC001597785552	989304019	/nfs/dbraw/zinc/30/40/19/989304019.db2.gz	LGRBJGSQZSPMBB-LURJTMIESA-N	-1	0	272.282	0.731	20	30		CCEDRM
C[C@@H]1C[C@H](C(=O)N[C@@]2(C#N)CC2(C)C)O[C@H]1C(=O)[O-]	ZINC001599874112	989394891	/nfs/dbraw/zinc/39/48/91/989394891.db2.gz	UMDLOSFUOYCEPW-WBPNIITGSA-N	-1	0	266.297	0.673	20	30		CCEDRM
CC(C)(CC(=O)[O-])C(=O)OCC(=O)NC1(C#N)CCC1	ZINC001590625462	990308649	/nfs/dbraw/zinc/30/86/49/990308649.db2.gz	LFNWSBQCTFQZNY-UHFFFAOYSA-N	-1	0	282.296	0.593	20	30		CCEDRM
CC(C)(CS(=O)(=O)NCC1(CC#N)CC1)C(=O)[O-]	ZINC001590802490	990630165	/nfs/dbraw/zinc/63/01/65/990630165.db2.gz	ADZLIGCDNFBQNJ-UHFFFAOYSA-N	-1	0	274.342	0.710	20	30		CCEDRM
CC(C)[C@H](C#N)N1CCN(c2ccnc(C(=O)[O-])n2)CC1	ZINC001590952477	991013728	/nfs/dbraw/zinc/01/37/28/991013728.db2.gz	GLVPYKZXGFPOIM-NSHDSACASA-N	-1	0	289.339	0.845	20	30		CCEDRM
CC(C)[C@@H](C#N)N1CCN(c2nccc(C(=O)[O-])n2)CC1	ZINC001590952869	991016882	/nfs/dbraw/zinc/01/68/82/991016882.db2.gz	LQERJASRGPDHQB-GFCCVEGCSA-N	-1	0	289.339	0.845	20	30		CCEDRM
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CC(C)[C@@H](O)CCn1cc(C(=O)[O-])cc(C#N)c1=O	ZINC001591041148	991386260	/nfs/dbraw/zinc/38/62/60/991386260.db2.gz	MOJHKBRSIJHVHL-NSHDSACASA-N	-1	0	264.281	0.825	20	30		CCEDRM
CC(C)C[C@H](NC(=O)CNC(=O)CCCCC#N)C(=O)[O-]	ZINC001591457977	992566689	/nfs/dbraw/zinc/56/66/89/992566689.db2.gz	ZASJMFRRUHNTRN-NSHDSACASA-N	-1	0	297.355	0.802	20	30		CCEDRM
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CC[C@H](NC(=O)c1cnn(CCC#N)c1C)C(=O)[O-]	ZINC001593622257	995874757	/nfs/dbraw/zinc/87/47/57/995874757.db2.gz	DFRALLBFGZMTPA-JTQLQIEISA-N	-1	0	264.285	0.698	20	30		CCEDRM
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CO[C@@]1(C(=O)[O-])CCN(C(=O)c2cc(C#N)ccn2)C1	ZINC001599074628	996836112	/nfs/dbraw/zinc/83/61/12/996836112.db2.gz	IZOHZKSVOYGLBJ-ZDUSSCGKSA-N	-1	0	275.264	0.269	20	30		CCEDRM
COC[C@]1(C(=O)[O-])CCCN1C(=O)C#CC1CC1	ZINC001599189602	997097922	/nfs/dbraw/zinc/09/79/22/997097922.db2.gz	GOSPUOQKTIJJEP-ZDUSSCGKSA-N	-1	0	251.282	0.492	20	30		CCEDRM
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COC[C@@H](C#N)OC(=O)CCc1ocnc1C(=O)[O-]	ZINC001599143925	998179496	/nfs/dbraw/zinc/17/94/96/998179496.db2.gz	LFEIWUHPUDQZRC-SSDOTTSWSA-N	-1	0	268.225	0.387	20	30		CCEDRM
COC[C@@](C)(NC(=O)C#Cc1cccs1)C(=O)[O-]	ZINC001599151565	998307146	/nfs/dbraw/zinc/30/71/46/998307146.db2.gz	XPRWVIYCPAFULJ-GFCCVEGCSA-N	-1	0	267.306	0.706	20	30		CCEDRM
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COC(=O)c1coc(C(=O)N(CC#N)CC(=O)[O-])c1	ZINC001599012262	998908401	/nfs/dbraw/zinc/90/84/01/998908401.db2.gz	DPDFBPQCEVYPSJ-UHFFFAOYSA-N	-1	0	266.209	0.117	20	30		CCEDRM
C[C@@H]1CC(NC(=O)[C@H]2C[C@@H](C)[C@H](C(=O)[O-])O2)=NO1	ZINC001594259380	998998875	/nfs/dbraw/zinc/99/88/75/998998875.db2.gz	FADKQTWSBQDMDX-JXOAFFINSA-N	-1	0	256.258	0.103	20	30		CCEDRM
C[C@@H]1CCCC[C@H]1NC(=O)CN(CC#N)CCC(=O)[O-]	ZINC001594365865	999382691	/nfs/dbraw/zinc/38/26/91/999382691.db2.gz	JTHDKVFCSGKEJQ-VXGBXAGGSA-N	-1	0	281.356	0.982	20	30		CCEDRM
C=CCNc1ncc(C(=O)[N-]N2CCCNC2=O)s1	ZINC000273033701	192025680	/nfs/dbraw/zinc/02/56/80/192025680.db2.gz	FASYZXUOGPJWCC-UHFFFAOYSA-N	-1	0	281.341	0.801	20	30		CCEDRM
CCN(C(=O)c1ccc([N-]S(C)(=O)=O)nc1)[C@@H](C)C#N	ZINC000600109885	361868888	/nfs/dbraw/zinc/86/88/88/361868888.db2.gz	QXMBSHIERFXBDB-VIFPVBQESA-N	-1	0	296.352	0.827	20	30		CCEDRM
Cc1ncc(S(=O)(=O)[N-]c2cc(C)c(C#N)cn2)n1C	ZINC000600667688	362027895	/nfs/dbraw/zinc/02/78/95/362027895.db2.gz	DGTKWHMJSRWSMG-UHFFFAOYSA-N	-1	0	291.336	0.526	20	30		CCEDRM
CC(C)CCN(CCC#N)C(=O)CCc1nnn[n-]1	ZINC000601037150	362138250	/nfs/dbraw/zinc/13/82/50/362138250.db2.gz	PIUWZNCLIBTIRJ-UHFFFAOYSA-N	-1	0	264.333	0.921	20	30		CCEDRM
C[C@H]1CN(C(=O)N=c2[n-]ncs2)C[C@H](C)N1CC#N	ZINC000601225762	362184654	/nfs/dbraw/zinc/18/46/54/362184654.db2.gz	OYJBIHRUGQPRNI-IUCAKERBSA-N	-1	0	280.357	0.410	20	30		CCEDRM
CON1CCC(C(=O)N=c2[nH][n-]c(C)c2C#N)CC1	ZINC000601678020	362351129	/nfs/dbraw/zinc/35/11/29/362351129.db2.gz	ADHBLKMBSGQCJS-UHFFFAOYSA-N	-1	0	263.301	0.224	20	30		CCEDRM
Cc1[n-][nH]c(=NC(=O)[C@H](C)c2ccnn2C)c1C#N	ZINC000601680616	362352883	/nfs/dbraw/zinc/35/28/83/362352883.db2.gz	UDFWNEREAPRVLJ-SSDOTTSWSA-N	-1	0	258.285	0.487	20	30		CCEDRM
C[C@H]1CCn2cc(C(=O)N=c3[nH][n-]cc3C#N)nc2C1	ZINC000601637446	362334041	/nfs/dbraw/zinc/33/40/41/362334041.db2.gz	VMPQYTXAAVEFNQ-QMMMGPOBSA-N	-1	0	270.296	0.734	20	30		CCEDRM
CN=c1[n-]nc(CC(=O)N(C)[C@H]2CCC[C@H]2C#N)s1	ZINC000601823927	362402496	/nfs/dbraw/zinc/40/24/96/362402496.db2.gz	XXTYVCXYRVIMDA-IUCAKERBSA-N	-1	0	279.369	0.695	20	30		CCEDRM
C=CCOCCNC(=O)[C@H](C)S[C@H](C)C(=O)[O-]	ZINC000601988854	362451327	/nfs/dbraw/zinc/45/13/27/362451327.db2.gz	ANCZXKDQENVAJL-DTWKUNHWSA-N	-1	0	261.343	0.900	20	30		CCEDRM
CC[C@@H]1C[C@H](C)CN1C(=O)Cn1cc(C#N)c(=O)[n-]c1=O	ZINC000602107676	362493301	/nfs/dbraw/zinc/49/33/01/362493301.db2.gz	OJEQWANGMVHMLM-GXSJLCMTSA-N	-1	0	290.323	0.468	20	30		CCEDRM
CCCN(C(=O)Cn1cc(C#N)c(=O)[n-]c1=O)C1CC1	ZINC000602095045	362483444	/nfs/dbraw/zinc/48/34/44/362483444.db2.gz	WWOFSVYKCWEWLG-UHFFFAOYSA-N	-1	0	276.296	0.222	20	30		CCEDRM
C[C@@H]1CCN(C(=O)Cn2cc(C#N)c(=O)[n-]c2=O)[C@@H]1C	ZINC000602117455	362499516	/nfs/dbraw/zinc/49/95/16/362499516.db2.gz	QTRADHUMBPABOY-RKDXNWHRSA-N	-1	0	276.296	0.077	20	30		CCEDRM
N#Cc1c[n-][nH]c1=NC(=O)[C@@H]1CCN1C1CCCC1	ZINC000602162780	362536182	/nfs/dbraw/zinc/53/61/82/362536182.db2.gz	FRUNTPYXZWQTKF-NSHDSACASA-N	-1	0	259.313	0.659	20	30		CCEDRM
Cn1ncc(C#N)c1[N-]S(=O)(=O)c1cncc(F)c1	ZINC000093342351	136808010	/nfs/dbraw/zinc/80/80/10/136808010.db2.gz	INVJLMGGPRAAIL-UHFFFAOYSA-N	-1	0	281.272	0.627	20	30		CCEDRM
Cc1n[nH]cc1[N-]S(=O)(=O)c1ccc(C#N)o1	ZINC000260018510	137006700	/nfs/dbraw/zinc/00/67/00/137006700.db2.gz	HURPADCPMJQUFN-UHFFFAOYSA-N	-1	0	252.255	0.984	20	30		CCEDRM
CCc1nc([N-]S(=O)(=O)c2ccc(C#N)o2)no1	ZINC000342467026	137095796	/nfs/dbraw/zinc/09/57/96/137095796.db2.gz	UVWTUROQFHTNDH-UHFFFAOYSA-N	-1	0	268.254	0.897	20	30		CCEDRM
COCc1nc(=NC(=O)c2cnccc2C#N)s[n-]1	ZINC000343098806	137115255	/nfs/dbraw/zinc/11/52/55/137115255.db2.gz	LFHBHSYXQQLKGU-UHFFFAOYSA-N	-1	0	275.293	0.625	20	30		CCEDRM
C[C@H](CC#N)NCC1=Nc2ccccc2S(=O)(=O)[N-]1	ZINC000602870735	362852419	/nfs/dbraw/zinc/85/24/19/362852419.db2.gz	WDUKCGSWJRIUTJ-SECBINFHSA-N	-1	0	278.337	0.900	20	30		CCEDRM
CO[C@H]1C[C@@H](CNC(=O)N=c2[n-]n(C)cc2C#N)C1	ZINC000602884983	362863172	/nfs/dbraw/zinc/86/31/72/362863172.db2.gz	XRPXRHPQOXOZTH-WAAGHKOSSA-N	-1	0	263.301	0.260	20	30		CCEDRM
C[C@@H]1C[C@@H](CNC(=O)N=c2[n-]n(C)cc2C#N)[C@H](C)O1	ZINC000602888428	362867025	/nfs/dbraw/zinc/86/70/25/362867025.db2.gz	URIRSWDCILMEKK-UTLUCORTSA-N	-1	0	277.328	0.649	20	30		CCEDRM
Cn1cc(C#N)c(=NC(=O)N2CC(C(F)(F)F)C2)[n-]1	ZINC000602880956	362860575	/nfs/dbraw/zinc/86/05/75/362860575.db2.gz	OXSPDLXSPCCEFB-UHFFFAOYSA-N	-1	0	273.218	0.740	20	30		CCEDRM
CC(C)n1cc(C#N)c(=NC(=O)c2ccc(C(N)=O)cn2)[n-]1	ZINC000345196671	137238998	/nfs/dbraw/zinc/23/89/98/137238998.db2.gz	YOALDHMKDFQVOT-UHFFFAOYSA-N	-1	0	298.306	0.504	20	30		CCEDRM
N#Cc1ccc(NC(=O)N2CCO[C@@H](C(=O)[O-])C2)cc1	ZINC000044471273	348320351	/nfs/dbraw/zinc/32/03/51/348320351.db2.gz	ZKIJCCPAOJHMEU-LLVKDONJSA-N	-1	0	275.264	0.876	20	30		CCEDRM
C=CCOc1ccc(C(=O)NCc2nnn[n-]2)cc1	ZINC000044927235	348328046	/nfs/dbraw/zinc/32/80/46/348328046.db2.gz	PLRHUFGCMOROOI-UHFFFAOYSA-N	-1	0	259.269	0.695	20	30		CCEDRM
C[C@@H](CNS(=O)(=O)c1ccccc1C#N)C(=O)[O-]	ZINC000054333745	348550737	/nfs/dbraw/zinc/55/07/37/348550737.db2.gz	SXMFZNVBXSEILZ-QMMMGPOBSA-N	-1	0	268.294	0.557	20	30		CCEDRM
Cc1oc(C(=O)[O-])cc1S(=O)(=O)NC[C@H](C)C#N	ZINC000055312825	348575009	/nfs/dbraw/zinc/57/50/09/348575009.db2.gz	VBUGBBBEEAGFPT-ZCFIWIBFSA-N	-1	0	272.282	0.724	20	30		CCEDRM
Cc1ccn2c(c1)n[n-]/c2=N\C(=O)c1ccc(C#N)cn1	ZINC000088253252	349359969	/nfs/dbraw/zinc/35/99/69/349359969.db2.gz	LOXJQTDUXSARCP-UHFFFAOYSA-N	-1	0	278.275	0.979	20	30		CCEDRM
COCCS(=O)(=O)[N-]c1ccc(C#N)cc1OC	ZINC000127028707	350159457	/nfs/dbraw/zinc/15/94/57/350159457.db2.gz	BJUAVIVPFPGNDV-UHFFFAOYSA-N	-1	0	270.310	0.955	20	30		CCEDRM
Cn1nnc2cc(C(=O)Nc3nc(C#N)c(C#N)[n-]3)ccc21	ZINC000104843771	186028149	/nfs/dbraw/zinc/02/81/49/186028149.db2.gz	MVDCQVSATSPUHP-UHFFFAOYSA-N	-1	0	292.262	0.687	20	30		CCEDRM
C=CC[C@H](C)NS(=O)(=O)N1CCC(C(=O)[O-])CC1	ZINC000133607395	350340372	/nfs/dbraw/zinc/34/03/72/350340372.db2.gz	GDOBXRQZRQRFAI-VIFPVBQESA-N	-1	0	276.358	0.582	20	30		CCEDRM
C[C@@H](NS(=O)(=O)c1ccccc1C#N)[C@@H](C)C(=O)[O-]	ZINC000133253305	350330339	/nfs/dbraw/zinc/33/03/39/350330339.db2.gz	VMUPMZPWCNYGNU-RKDXNWHRSA-N	-1	0	282.321	0.946	20	30		CCEDRM
N#Cc1ccc(S(=O)(=O)N[C@@H](C(=O)[O-])C2CC2)cn1	ZINC000159655455	350683890	/nfs/dbraw/zinc/68/38/90/350683890.db2.gz	FXFLFHPHGMUGOO-SNVBAGLBSA-N	-1	0	281.293	0.095	20	30		CCEDRM
C[C@@H](CO)SCc1cc(=O)n2[n-]cc(C#N)c2n1	ZINC000172977674	351019605	/nfs/dbraw/zinc/01/96/05/351019605.db2.gz	VHPVXVGVPJTNKK-ZETCQYMHSA-N	-1	0	264.310	0.921	20	30		CCEDRM
C=CCCOCCNC(=O)[C@@H]1CC[C@@H](C(=O)[O-])O1	ZINC000226257456	352021447	/nfs/dbraw/zinc/02/14/47/352021447.db2.gz	WZRPEQNBLCNBMU-UWVGGRQHSA-N	-1	0	257.286	0.328	20	30		CCEDRM
N#Cc1ccc(S(=O)(=O)N[C@@H]2C=C[C@H](C(=O)[O-])C2)s1	ZINC000230325807	352111580	/nfs/dbraw/zinc/11/15/80/352111580.db2.gz	PLMHCUOVEFRPLX-JGVFFNPUSA-N	-1	0	298.345	0.927	20	30		CCEDRM
CN(Cc1nc(=O)o[n-]1)c1ncc2c(c1C#N)CCC2	ZINC000603393496	363108371	/nfs/dbraw/zinc/10/83/71/363108371.db2.gz	QGNQMFRODKZJJZ-UHFFFAOYSA-N	-1	0	271.280	0.755	20	30		CCEDRM
C#C[C@H](C)Oc1nc[n-]c(=O)c1I	ZINC000235535906	352185507	/nfs/dbraw/zinc/18/55/07/352185507.db2.gz	IHHOVCMOKRFMJW-YFKPBYRVSA-N	-1	0	290.060	0.775	20	30		CCEDRM
CC#CC[C@H](NS(=O)(=O)C(CC)CC)C(=O)[O-]	ZINC000274960504	353176264	/nfs/dbraw/zinc/17/62/64/353176264.db2.gz	HNIHTZXFIFGLSW-JTQLQIEISA-N	-1	0	261.343	0.961	20	30		CCEDRM
N#Cc1cncc(S(=O)(=O)N[C@H]2C=C[C@H](C(=O)[O-])C2)c1	ZINC000290616811	353737967	/nfs/dbraw/zinc/73/79/67/353737967.db2.gz	JZDQWUPAHCYJPK-UWVGGRQHSA-N	-1	0	293.304	0.261	20	30		CCEDRM
CC(C)(CNS(=O)(=O)c1cncc(C#N)c1)C(=O)[O-]	ZINC000290713721	353744719	/nfs/dbraw/zinc/74/47/19/353744719.db2.gz	UFFRJPXCMGJGII-UHFFFAOYSA-N	-1	0	283.309	0.342	20	30		CCEDRM
Cc1ncc(S(=O)(=O)[N-]c2ccn(C)n2)cc1C#N	ZINC000336817700	355191049	/nfs/dbraw/zinc/19/10/49/355191049.db2.gz	RLZBTWXDKSDVQV-UHFFFAOYSA-N	-1	0	277.309	0.796	20	30		CCEDRM
Cc1nc([N-]S(=O)(=O)c2cnc(C)c(C#N)c2)no1	ZINC000427772277	235379046	/nfs/dbraw/zinc/37/90/46/235379046.db2.gz	UODRKYLJNOQCLA-UHFFFAOYSA-N	-1	0	279.281	0.754	20	30		CCEDRM
C=CCCn1cc(C(=O)NC[C@H](C(=O)[O-])C(C)C)nn1	ZINC000655558613	412620158	/nfs/dbraw/zinc/62/01/58/412620158.db2.gz	KDLXKBBFLOYEBP-JTQLQIEISA-N	-1	0	280.328	0.941	20	30		CCEDRM
Cc1[n-]sc(=Nc2ccn(CC(N)=O)n2)c1C#N	ZINC000360954321	138016571	/nfs/dbraw/zinc/01/65/71/138016571.db2.gz	QGUTUZZGROHZMT-UHFFFAOYSA-N	-1	0	262.298	0.171	20	30		CCEDRM
CC(C)Oc1ccc(=NC(=O)c2cnn(C)c2C#N)[n-]n1	ZINC000361904203	138037702	/nfs/dbraw/zinc/03/77/02/138037702.db2.gz	ZYWMUMBUEIGGDX-UHFFFAOYSA-N	-1	0	286.295	0.543	20	30		CCEDRM
N#Cc1cc([N+](=O)[O-])cnc1NCCCc1n[nH]c(=O)[n-]1	ZINC000362269741	138052972	/nfs/dbraw/zinc/05/29/72/138052972.db2.gz	PLKJPZIQAYHORO-UHFFFAOYSA-N	-1	0	289.255	0.152	20	30		CCEDRM
N#Cc1ccc(Cl)c(C(=O)NCc2n[n-]c(=N)o2)c1	ZINC000354840424	356511163	/nfs/dbraw/zinc/51/11/63/356511163.db2.gz	MFZOIHKHQSPNLZ-UHFFFAOYSA-N	-1	0	277.671	0.937	20	30		CCEDRM
N#CCc1cccc(S(=O)(=O)NCCOCC(=O)[O-])c1	ZINC000619470529	366264849	/nfs/dbraw/zinc/26/48/49/366264849.db2.gz	DGXJLUVLWBJEBC-UHFFFAOYSA-N	-1	0	298.320	0.132	20	30		CCEDRM
Cc1cc(C)n2[n-]c(=NC(=O)N3CCC(C#N)CC3)nc2n1	ZINC000608982945	363470247	/nfs/dbraw/zinc/47/02/47/363470247.db2.gz	MWUOXPPDQXDGSP-UHFFFAOYSA-N	-1	0	299.338	0.931	20	30		CCEDRM
C=C(C)COCCNC(=O)N=c1ccc(C(=O)OC)n[n-]1	ZINC000619627407	366303165	/nfs/dbraw/zinc/30/31/65/366303165.db2.gz	GDZZOAHKMKGKIV-UHFFFAOYSA-N	-1	0	294.311	0.399	20	30		CCEDRM
CC(C)(NC(=O)COc1ccccc1C#N)c1nnn[n-]1	ZINC000359807936	356900010	/nfs/dbraw/zinc/90/00/10/356900010.db2.gz	ZROSHFMNKUIVEX-UHFFFAOYSA-N	-1	0	286.295	0.502	20	30		CCEDRM
Cn1cc(C#N)c(=NC(=O)N[C@H]2c3ccccc3C[C@H]2O)[n-]1	ZINC000610527972	363572901	/nfs/dbraw/zinc/57/29/01/363572901.db2.gz	CLVKQFKJWWJLKO-OLZOCXBDSA-N	-1	0	297.318	0.493	20	30		CCEDRM
CC[C@H](COC)NC(=O)N=c1[n-]n(C)cc1C#N	ZINC000610560840	363576018	/nfs/dbraw/zinc/57/60/18/363576018.db2.gz	XEHKGMUYIULKDS-SECBINFHSA-N	-1	0	251.290	0.260	20	30		CCEDRM
C[C@H](Cn1cccn1)NC(=O)N=c1[n-]n(C)cc1C#N	ZINC000610561830	363576623	/nfs/dbraw/zinc/57/66/23/363576623.db2.gz	RYCZSHNWWANXTD-SECBINFHSA-N	-1	0	273.300	0.120	20	30		CCEDRM
CC[C@@H]1CN(C(=O)N=c2[n-]n(C)cc2C#N)C[C@@H](C)O1	ZINC000610562704	363577995	/nfs/dbraw/zinc/57/79/95/363577995.db2.gz	CPEGYVTZLNBKDQ-MWLCHTKSSA-N	-1	0	277.328	0.745	20	30		CCEDRM
CCC[C@H](CCO)CNC(=O)N=c1[n-]n(C)cc1C#N	ZINC000610562743	363578228	/nfs/dbraw/zinc/57/82/28/363578228.db2.gz	DYKDMRKNGCOVME-SNVBAGLBSA-N	-1	0	279.344	0.634	20	30		CCEDRM
C=CCC(F)(F)C(=O)[N-]N1C(=O)N[C@@](C)(CC)C1=O	ZINC000294399800	199025417	/nfs/dbraw/zinc/02/54/17/199025417.db2.gz	VVUDEOWCZGAHAX-JTQLQIEISA-N	-1	0	275.255	0.950	20	30		CCEDRM
C=CCC(F)(F)C(=O)[N-]N1C(=O)N[C@](C)(CC)C1=O	ZINC000294399805	199025777	/nfs/dbraw/zinc/02/57/77/199025777.db2.gz	VVUDEOWCZGAHAX-SNVBAGLBSA-N	-1	0	275.255	0.950	20	30		CCEDRM
N#Cc1ccc(F)c(CS(=O)(=O)N2CC[C@H]2C(=O)[O-])c1	ZINC000562273696	291141575	/nfs/dbraw/zinc/14/15/75/291141575.db2.gz	NVUDEBAEKWYGDI-NSHDSACASA-N	-1	0	298.295	0.686	20	30		CCEDRM
C=CCC[C@@H](NC(=O)COC[C@H]1CCCO1)C(=O)[O-]	ZINC000573671917	358988134	/nfs/dbraw/zinc/98/81/34/358988134.db2.gz	PTCWCFONHISRDC-GHMZBOCLSA-N	-1	0	271.313	0.718	20	30		CCEDRM
C[C@H](Oc1ccccc1C#N)C(=O)N=c1cc(C(N)=O)[n-][nH]1	ZINC000610872313	363623950	/nfs/dbraw/zinc/62/39/50/363623950.db2.gz	DZLCIUKOHLWXSI-QMMMGPOBSA-N	-1	0	299.290	0.208	20	30		CCEDRM
COCCC1(CNC(=O)N=c2[n-]n(C)cc2C#N)CC1	ZINC000610876689	363625075	/nfs/dbraw/zinc/62/50/75/363625075.db2.gz	OWMIFMQBSZBCSN-UHFFFAOYSA-N	-1	0	277.328	0.652	20	30		CCEDRM
COC(=O)C[C@H]1CCCN1C(=O)N=c1[n-]n(C)cc1C#N	ZINC000610936185	363633328	/nfs/dbraw/zinc/63/33/28/363633328.db2.gz	FQUAYHXKAULARO-SNVBAGLBSA-N	-1	0	291.311	0.273	20	30		CCEDRM
N#CCCCS(=O)(=O)N1CCC(CC(=O)[O-])CC1	ZINC000585819462	359281969	/nfs/dbraw/zinc/28/19/69/359281969.db2.gz	QDAQUVUYSVHSSU-UHFFFAOYSA-N	-1	0	274.342	0.807	20	30		CCEDRM
C[C@@H]1CSC[C@@H]1NC(=O)N=c1[n-]n(C)cc1C#N	ZINC000588258680	359320112	/nfs/dbraw/zinc/32/01/12/359320112.db2.gz	BLAPRMMQTUBDKH-APPZFPTMSA-N	-1	0	265.342	0.587	20	30		CCEDRM
C[C@H]1CSC[C@@H]1NC(=O)N=c1[n-]n(C)cc1C#N	ZINC000588258681	359320121	/nfs/dbraw/zinc/32/01/21/359320121.db2.gz	BLAPRMMQTUBDKH-CBAPKCEASA-N	-1	0	265.342	0.587	20	30		CCEDRM
Cc1[n-][nH]c(=NC(=O)c2cc(C)[nH]c(=O)c2)c1C#N	ZINC000588714724	359332613	/nfs/dbraw/zinc/33/26/13/359332613.db2.gz	UZOLSPHPGZHQHZ-UHFFFAOYSA-N	-1	0	257.253	0.673	20	30		CCEDRM
CCc1ccc([C@@H](C#N)NC(=O)c2n[nH]c(=O)[n-]c2=O)cc1	ZINC000589900875	359408943	/nfs/dbraw/zinc/40/89/43/359408943.db2.gz	GWPIECBSHBGLRG-SNVBAGLBSA-N	-1	0	299.290	0.840	20	30		CCEDRM
Cn1cc(C#N)c(=NC(=O)N[C@H]2CCOC(C)(C)C2)[n-]1	ZINC000611095600	363658875	/nfs/dbraw/zinc/65/88/75/363658875.db2.gz	UIJWNXZKUDIQEJ-JTQLQIEISA-N	-1	0	277.328	0.793	20	30		CCEDRM
C=C[C@@H]1OCCC[C@H]1N=c1ccc(C(=O)OC)n[n-]1	ZINC000590722838	359510884	/nfs/dbraw/zinc/51/08/84/359510884.db2.gz	MPUOMYXMNYFHLP-KOLCDFICSA-N	-1	0	263.297	0.831	20	30		CCEDRM
CO[C@@H]([C@@H](C)NC(=O)N=c1[n-]n(C)cc1C#N)C1CC1	ZINC000590819767	359527561	/nfs/dbraw/zinc/52/75/61/359527561.db2.gz	UWAPRXDZWYUAPQ-KCJUWKMLSA-N	-1	0	277.328	0.649	20	30		CCEDRM
Cc1cc(=NC(=O)N=c2[n-]n(C)cc2C#N)[nH]n1C(C)C	ZINC000591483838	359597866	/nfs/dbraw/zinc/59/78/66/359597866.db2.gz	HSOOUWKTQRSNPS-UHFFFAOYSA-N	-1	0	287.327	0.865	20	30		CCEDRM
C=CCN(CC(=O)[O-])S(=O)(=O)CC[C@H]1CCOC1	ZINC000297059713	200074368	/nfs/dbraw/zinc/07/43/68/200074368.db2.gz	WAOQLVGTAARDHS-SNVBAGLBSA-N	-1	0	277.342	0.315	20	30		CCEDRM
COc1cccc(S([O-])=CC(=O)N2CC(C#N)C2)c1	ZINC000591781671	359657478	/nfs/dbraw/zinc/65/74/78/359657478.db2.gz	GIXWSUSXUYGAGT-IBGZPJMESA-N	-1	0	278.333	0.785	20	30		CCEDRM
N#CCCCS(=O)(=O)N[C@H]1CC[C@@H](C(=O)[O-])C1	ZINC000592457316	359844084	/nfs/dbraw/zinc/84/40/84/359844084.db2.gz	FVWPZTRJLSONAN-BDAKNGLRSA-N	-1	0	260.315	0.463	20	30		CCEDRM
Cc1c(CNC(=O)N=c2[n-]n(C)cc2C#N)cnn1C	ZINC000611162132	363668183	/nfs/dbraw/zinc/66/81/83/363668183.db2.gz	XPFCIFSMICJYNO-UHFFFAOYSA-N	-1	0	273.300	0.077	20	30		CCEDRM
Cc1c(C#N)c(=NC(=O)[C@@H](C)OCC2CC2)[n-]n1C	ZINC000592645918	359907852	/nfs/dbraw/zinc/90/78/52/359907852.db2.gz	JWYSGJCXWLXBDA-SECBINFHSA-N	-1	0	262.313	0.776	20	30		CCEDRM
Cc1c(C#N)c(=NC(=O)c2ccc(N(C)C)nc2)[n-]n1C	ZINC000592645674	359908150	/nfs/dbraw/zinc/90/81/50/359908150.db2.gz	CTDZALDUUGZIKL-UHFFFAOYSA-N	-1	0	284.323	0.735	20	30		CCEDRM
Cc1nnsc1C(=O)N=c1[n-]n(C)c(C)c1C#N	ZINC000592647652	359908456	/nfs/dbraw/zinc/90/84/56/359908456.db2.gz	SXZWZAOVYXHDIZ-UHFFFAOYSA-N	-1	0	262.298	0.434	20	30		CCEDRM
CC#CC[C@@H](CO)NC(=O)c1cccc([O-])c1[N+](=O)[O-]	ZINC000592926711	359984463	/nfs/dbraw/zinc/98/44/63/359984463.db2.gz	VXCLAXLIVDXQJR-VIFPVBQESA-N	-1	0	278.264	0.805	20	30		CCEDRM
CC#CC[C@@H](CO)NC(=O)c1cc([O-])cc([N+](=O)[O-])c1	ZINC000592926614	359984505	/nfs/dbraw/zinc/98/45/05/359984505.db2.gz	TVDUGBVUQAOHSE-JTQLQIEISA-N	-1	0	278.264	0.805	20	30		CCEDRM
CC[C@@H](CNC(=O)C1(C#N)CCOCC1)C(=O)[O-]	ZINC000592952544	359994144	/nfs/dbraw/zinc/99/41/44/359994144.db2.gz	JFUNGBFKZLNNAX-VIFPVBQESA-N	-1	0	254.286	0.534	20	30		CCEDRM
CC(C)n1cnc(=NC(=O)c2ccc(C#N)n2C)[n-]1	ZINC000593230358	360053760	/nfs/dbraw/zinc/05/37/60/360053760.db2.gz	AEEMOJYZIHZDGI-UHFFFAOYSA-N	-1	0	258.285	0.743	20	30		CCEDRM
C=CCSCCNC(=O)C(=O)N=c1ncn(C(C)C)[n-]1	ZINC000593551588	360111781	/nfs/dbraw/zinc/11/17/81/360111781.db2.gz	AHQSKQIXWOCWAO-UHFFFAOYSA-N	-1	0	297.384	0.255	20	30		CCEDRM
N#Cc1ccc(S(=O)(=O)N[C@H](CCF)C(=O)[O-])o1	ZINC000594574040	360332866	/nfs/dbraw/zinc/33/28/66/360332866.db2.gz	XNHUEIVJWMZZSD-SSDOTTSWSA-N	-1	0	276.245	0.242	20	30		CCEDRM
N#CCCCCC(=O)Nc1cnn(CC(=O)[O-])c1	ZINC000594467558	360320321	/nfs/dbraw/zinc/32/03/21/360320321.db2.gz	PYKAAOYPPCBODV-UHFFFAOYSA-N	-1	0	250.258	0.990	20	30		CCEDRM
COC[C@H](NC(=O)NCC1(C#N)CCCCC1)C(=O)[O-]	ZINC000594690520	360360937	/nfs/dbraw/zinc/36/09/37/360360937.db2.gz	KWGCJGWEZKWQSE-JTQLQIEISA-N	-1	0	283.328	0.859	20	30		CCEDRM
N#CCCCC[N-]S(=O)(=O)c1ncccc1[N+](=O)[O-]	ZINC000594758730	360377291	/nfs/dbraw/zinc/37/72/91/360377291.db2.gz	DVJXSXLZDUNNJF-UHFFFAOYSA-N	-1	0	284.297	0.962	20	30		CCEDRM
C[C@@H](CNC(=O)C(=O)NCC1(C#N)CCCCC1)C(=O)[O-]	ZINC000595275826	360474150	/nfs/dbraw/zinc/47/41/50/360474150.db2.gz	JUSXVYMYELTJSX-JTQLQIEISA-N	-1	0	295.339	0.414	20	30		CCEDRM
Cc1cc(N2C[C@@H]3COC[C@]3(C(=O)[O-])C2)c(C#N)cn1	ZINC000595970885	360744301	/nfs/dbraw/zinc/74/43/01/360744301.db2.gz	BFUJTBJYFSVOOU-BXUZGUMPSA-N	-1	0	273.292	0.799	20	30		CCEDRM
Cc1nc(N[C@@H]2C[C@@H](C(=O)[O-])C[C@@H]2O)ccc1C#N	ZINC000595978147	360753652	/nfs/dbraw/zinc/75/36/52/360753652.db2.gz	KWPVWWYWLPMDQB-MXWKQRLJSA-N	-1	0	261.281	0.320	20	30		CCEDRM
N#Cc1cc([N+](=O)[O-])cnc1N[C@@H]1C[C@@H](C(=O)[O-])C[C@@H]1O	ZINC000595978399	360754324	/nfs/dbraw/zinc/75/43/24/360754324.db2.gz	LNWRTRGYGSKKNQ-DRTBCBBWSA-N	-1	0	292.251	0.497	20	30		CCEDRM
Cc1ccnc(N[C@@H]2C[C@H](C(=O)[O-])C[C@H]2O)c1C#N	ZINC000595978776	360754476	/nfs/dbraw/zinc/75/44/76/360754476.db2.gz	OMVXZVZMNWGDDS-JMJZKYOTSA-N	-1	0	261.281	0.898	20	30		CCEDRM
N#Cc1c(N[C@@H]2C[C@@H](C(=O)[O-])C[C@H]2O)nc2ccccn21	ZINC000595978831	360754866	/nfs/dbraw/zinc/75/48/66/360754866.db2.gz	PKAKWFPELHUBDC-FXPVBKGRSA-N	-1	0	286.291	0.842	20	30		CCEDRM
N#Cc1cc2cccnc2nc1N1CCO[C@@H](C(=O)[O-])C1	ZINC000595965501	360740530	/nfs/dbraw/zinc/74/05/30/360740530.db2.gz	CXEMGCZXAPVINQ-LLVKDONJSA-N	-1	0	284.275	0.791	20	30		CCEDRM
Cc1ccc(C#N)c(N2C[C@@H]3COC[C@]3(C(=O)[O-])C2)n1	ZINC000595967426	360741518	/nfs/dbraw/zinc/74/15/18/360741518.db2.gz	GRSGWNNDQSCPCL-BXUZGUMPSA-N	-1	0	273.292	0.799	20	30		CCEDRM
N#Cc1cccc(O[C@@H]2CCN(CC(=O)[O-])C2=O)c1	ZINC000596011454	360774418	/nfs/dbraw/zinc/77/44/18/360774418.db2.gz	XXZVFMYKYGYKMT-LLVKDONJSA-N	-1	0	260.249	0.623	20	30		CCEDRM
N#Cc1ncccc1O[C@@H]1CCN(CC(=O)[O-])C1=O	ZINC000596015005	360776454	/nfs/dbraw/zinc/77/64/54/360776454.db2.gz	YJLWRDUSVDFXSS-SNVBAGLBSA-N	-1	0	261.237	0.018	20	30		CCEDRM
COC[C@@](C)(O)CN=c1[n-]c(C#N)c(Cl)s1	ZINC000596127394	360805228	/nfs/dbraw/zinc/80/52/28/360805228.db2.gz	YPZUZHWVKSQKBQ-VIFPVBQESA-N	-1	0	261.734	0.899	20	30		CCEDRM
CC[C@@H](C#N)NC(=O)c1cc(S(N)(=O)=O)ccc1[O-]	ZINC000597044244	360999592	/nfs/dbraw/zinc/99/95/92/360999592.db2.gz	QOORWEBHPCPVQQ-ZETCQYMHSA-N	-1	0	283.309	0.072	20	30		CCEDRM
CC[C@](C)(C#N)NC(=O)c1cc(S(N)(=O)=O)ccc1[O-]	ZINC000597041904	360999730	/nfs/dbraw/zinc/99/97/30/360999730.db2.gz	RCPZIIYNCDCROD-GFCCVEGCSA-N	-1	0	297.336	0.462	20	30		CCEDRM
COCCN=c1[n-]nc(Sc2ncncc2C#N)s1	ZINC000563775015	291250306	/nfs/dbraw/zinc/25/03/06/291250306.db2.gz	SQDBQLQKJQFBML-UHFFFAOYSA-N	-1	0	294.365	0.831	20	30		CCEDRM
Cn1[n-]c(C(=O)N2CCSC[C@H]2C#N)cc1=O	ZINC000597478471	361108355	/nfs/dbraw/zinc/10/83/55/361108355.db2.gz	RQTRGLBOSGQENW-SSDOTTSWSA-N	-1	0	252.299	0.207	20	30		CCEDRM
C=CCC[C@H](NC(=O)c1cc(=O)n(C)[n-]1)C(=O)OCC	ZINC000597732081	361215375	/nfs/dbraw/zinc/21/53/75/361215375.db2.gz	HLJNRFUMDFSHOD-VIFPVBQESA-N	-1	0	281.312	0.753	20	30		CCEDRM
Cc1[n-][nH]c(=NC(=O)c2cc(=O)[nH]c(C3CC3)n2)c1C#N	ZINC000598700059	361489733	/nfs/dbraw/zinc/48/97/33/361489733.db2.gz	MXXMSNNTFGYKKK-UHFFFAOYSA-N	-1	0	284.279	0.637	20	30		CCEDRM
N#Cc1c(C2CC2)[n-][nH]c1=NC(=O)[C@@H]1CC[C@@H]1C(N)=O	ZINC000598733719	361500862	/nfs/dbraw/zinc/50/08/62/361500862.db2.gz	CQFXFJQNOIIWQE-JGVFFNPUSA-N	-1	0	273.296	0.031	20	30		CCEDRM
COC[C@@H](OC)C(=O)N=c1[nH][n-]c(C2CC2)c1C#N	ZINC000598733744	361501270	/nfs/dbraw/zinc/50/12/70/361501270.db2.gz	DFNLZDAAVRFOTJ-SECBINFHSA-N	-1	0	264.285	0.181	20	30		CCEDRM
Cn1cc(C#N)c(=NC(=O)[C@@H]2C[C@H]2OC(C)(C)C)[n-]1	ZINC000598817634	361521997	/nfs/dbraw/zinc/52/19/97/361521997.db2.gz	VMFOMUHEEWQBNU-NXEZZACHSA-N	-1	0	262.313	0.856	20	30		CCEDRM
CC[C@H](CC#N)[N-]S(=O)(=O)c1nn(C)cc1[N+](=O)[O-]	ZINC000599277446	361630297	/nfs/dbraw/zinc/63/02/97/361630297.db2.gz	HSWQVYBZBNQJRL-SSDOTTSWSA-N	-1	0	287.301	0.299	20	30		CCEDRM
CC(C)C[C@H](CO)N(C)C(=O)N=c1[n-]n(C)cc1C#N	ZINC000614182393	364523304	/nfs/dbraw/zinc/52/33/04/364523304.db2.gz	OZRPWSALBMZDJQ-LLVKDONJSA-N	-1	0	279.344	0.584	20	30		CCEDRM
C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)c1cc(=O)n(C)[n-]1	ZINC000614373946	364587468	/nfs/dbraw/zinc/58/74/68/364587468.db2.gz	WIRCQTPKTBXUNK-SKDRFNHKSA-N	-1	0	265.313	0.837	20	30		CCEDRM
C=C[C@@H]1OCC[C@H]1C(=O)N(C)Cc1n[n-]c(=O)o1	ZINC000622114973	367041038	/nfs/dbraw/zinc/04/10/38/367041038.db2.gz	DJCIMCLPPQAMBG-SFYZADRCSA-N	-1	0	253.258	0.325	20	30		CCEDRM
C=CC[C@@H]1CCN(C(=O)C(=O)N[C@H]2CC[C@@H](C(=O)[O-])C2)C1	ZINC000627278318	368942118	/nfs/dbraw/zinc/94/21/18/368942118.db2.gz	NSNTZIKFGUKEQW-UTUOFQBUSA-N	-1	0	294.351	0.781	20	30		CCEDRM
C=CC(C)(C)CCNC(=O)C(=O)N(C)CCC(=O)[O-]	ZINC000627281118	368943470	/nfs/dbraw/zinc/94/34/70/368943470.db2.gz	WLSBEBNNCUTISK-UHFFFAOYSA-N	-1	0	270.329	0.638	20	30		CCEDRM
C=CCOC[C@@H](NC(=O)c1cnc(C)nc1C)C(=O)[O-]	ZINC000630186482	369995750	/nfs/dbraw/zinc/99/57/50/369995750.db2.gz	SIVZQKPVJYGEFL-LLVKDONJSA-N	-1	0	279.296	0.479	20	30		CCEDRM
C=CCOC[C@H](NC(=O)Cc1c(C)noc1C)C(=O)[O-]	ZINC000630186779	369996311	/nfs/dbraw/zinc/99/63/11/369996311.db2.gz	YBQDSUWBLQSALY-NSHDSACASA-N	-1	0	282.296	0.606	20	30		CCEDRM
C=C(C)C[C@H](NC(=O)CN1CSCC1=O)C(=O)[O-]	ZINC000630316826	370045190	/nfs/dbraw/zinc/04/51/90/370045190.db2.gz	IVDUOOINJMWFKV-QMMMGPOBSA-N	-1	0	272.326	0.055	20	30		CCEDRM
C=C(C)C[C@@H](NC(=O)CCc1nc(C)no1)C(=O)[O-]	ZINC000630318217	370046032	/nfs/dbraw/zinc/04/60/32/370046032.db2.gz	FQJMBAPSRPCFTR-SECBINFHSA-N	-1	0	267.285	0.846	20	30		CCEDRM
C=C(C)[C@H]1OCC[C@H]1CNC(=O)C1(C(=O)[O-])CCOCC1	ZINC000630302641	370037572	/nfs/dbraw/zinc/03/75/72/370037572.db2.gz	GLGFTLBUMGIBRT-NWDGAFQWSA-N	-1	0	297.351	0.965	20	30		CCEDRM
C=CCOC[C@H](NC(=O)CCc1ccnn1C)C(=O)[O-]	ZINC000630185466	369995241	/nfs/dbraw/zinc/99/52/41/369995241.db2.gz	BWNYCKNPLGTISM-NSHDSACASA-N	-1	0	281.312	0.125	20	30		CCEDRM
C=C(C)C[C@H](NS(=O)(=O)N1CCC(C)CC1)C(=O)[O-]	ZINC000630437341	370116078	/nfs/dbraw/zinc/11/60/78/370116078.db2.gz	DCQXPRSBISNXKS-NSHDSACASA-N	-1	0	290.385	0.972	20	30		CCEDRM
C=C(C)C[C@H](NS(=O)(=O)N(C)CC1CC1)C(=O)[O-]	ZINC000630438562	370117290	/nfs/dbraw/zinc/11/72/90/370117290.db2.gz	RPWKNNLFWLDVFZ-JTQLQIEISA-N	-1	0	276.358	0.582	20	30		CCEDRM
C=CCOC[C@H](NC(=O)NCC1CC=CC1)C(=O)[O-]	ZINC000630485236	370131328	/nfs/dbraw/zinc/13/13/28/370131328.db2.gz	BEZHDVKVEOCHQR-NSHDSACASA-N	-1	0	268.313	0.908	20	30		CCEDRM
C=CC[C@@H](CO)N=c1nn[n-]n1Cc1ccc(OC)cc1	ZINC000631205454	370421332	/nfs/dbraw/zinc/42/13/32/370421332.db2.gz	AYUFMQLYPKQTCE-LBPRGKRZSA-N	-1	0	289.339	0.501	20	30		CCEDRM
C=C[C@@H]1OCCC[C@H]1NS(=O)(=O)c1ncc[n-]1	ZINC000632414863	371048186	/nfs/dbraw/zinc/04/81/86/371048186.db2.gz	LKNNYANEHRVFJG-BDAKNGLRSA-N	-1	0	257.315	0.422	20	30		CCEDRM
Cc1cnn(C)c1S(=O)(=O)[N-]c1cc(C)c(C#N)cn1	ZINC000567752422	291510243	/nfs/dbraw/zinc/51/02/43/291510243.db2.gz	KFTLFHVFXIDISO-UHFFFAOYSA-N	-1	0	291.336	0.526	20	30		CCEDRM
C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)CCc1nnn[n-]1	ZINC000632840600	371295373	/nfs/dbraw/zinc/29/53/73/371295373.db2.gz	HJBSDODETYWTAM-SKDRFNHKSA-N	-1	0	265.317	0.230	20	30		CCEDRM
CC[C@H](C(=O)[O-])N(C)S(=O)(=O)N(C)C[C@H](C)C#N	ZINC000574404753	335016956	/nfs/dbraw/zinc/01/69/56/335016956.db2.gz	SGYNQSSPCYVWCT-RKDXNWHRSA-N	-1	0	277.346	0.118	20	30		CCEDRM
C=C(C)C[C@@H](NS(=O)(=O)C[C@H](C)OC)C(=O)[O-]	ZINC000634654803	372127029	/nfs/dbraw/zinc/12/70/29/372127029.db2.gz	VMWRZDCWEXKAJF-DTWKUNHWSA-N	-1	0	265.331	0.360	20	30		CCEDRM
C[C@@H](Oc1ccccc1C#N)C(=O)N[C@H](CF)C(=O)[O-]	ZINC000262832806	296209815	/nfs/dbraw/zinc/20/98/15/296209815.db2.gz	BLDVKMBSKJPOHF-PSASIEDQSA-N	-1	0	280.255	0.864	20	30		CCEDRM
C=CCCn1cc(CN[C@@]2(C(=O)[O-])CCOC2)nn1	ZINC000656574003	412829139	/nfs/dbraw/zinc/82/91/39/412829139.db2.gz	SGNHCPCGLAAFPO-LBPRGKRZSA-N	-1	0	266.301	0.188	20	30		CCEDRM
C=CCCS(=O)(=O)N[C@](C)(CCF)C(=O)[O-]	ZINC000656723306	412847535	/nfs/dbraw/zinc/84/75/35/412847535.db2.gz	FQINQMUIJMAKDP-SECBINFHSA-N	-1	0	253.295	0.685	20	30		CCEDRM
C[C@@H]1CCCN(S(=O)(=O)CC2(C#N)CC2)[C@H]1C(=O)[O-]	ZINC000331901728	296392407	/nfs/dbraw/zinc/39/24/07/296392407.db2.gz	BZLIWPPJEBLGMJ-NXEZZACHSA-N	-1	0	286.353	0.805	20	30		CCEDRM
C#CCOc1ccc(C(=O)N[C@@H](CCOC)C(=O)[O-])cc1	ZINC000262263918	533183183	/nfs/dbraw/zinc/18/31/83/533183183.db2.gz	FHOYVRRZIOIJMY-ZDUSSCGKSA-N	-1	0	291.303	0.918	20	30		CCEDRM
CC#CC[C@H](NS(=O)(=O)c1cncc(C#N)c1)C(=O)[O-]	ZINC000290614971	388908721	/nfs/dbraw/zinc/90/87/21/388908721.db2.gz	JVZFZTORVCZNGW-NSHDSACASA-N	-1	0	293.304	0.098	20	30		CCEDRM
COc1n[nH]c(NC(=O)c2ccc(C#N)c([O-])c2)n1	ZINC000188837559	388942863	/nfs/dbraw/zinc/94/28/63/388942863.db2.gz	RMXQGSFZLBCALK-UHFFFAOYSA-N	-1	0	259.225	0.643	20	30		CCEDRM
CO[C@@H](C)c1nc(=NC(=O)CSCC#N)s[n-]1	ZINC000338015685	389072606	/nfs/dbraw/zinc/07/26/06/389072606.db2.gz	FGIKSPGCVPMFQQ-LURJTMIESA-N	-1	0	272.355	0.863	20	30		CCEDRM
COc1nn(C)cc1[N-]S(=O)(=O)c1ccc(C#N)o1	ZINC000340958310	389169778	/nfs/dbraw/zinc/16/97/78/389169778.db2.gz	CKMZXEOPLZBPNG-UHFFFAOYSA-N	-1	0	282.281	0.694	20	30		CCEDRM
N#C[C@@H](NC(=O)c1c[nH]c2nc(=O)[n-]c(=O)c-2c1)C1CC1	ZINC000343053999	389257178	/nfs/dbraw/zinc/25/71/78/389257178.db2.gz	NOUOOQUELXRZDB-SECBINFHSA-N	-1	0	285.263	0.468	20	30		CCEDRM
C=CCN(C(=O)N=c1cccn[n-]1)[C@@H]1CCS(=O)(=O)C1	ZINC000343318150	389264187	/nfs/dbraw/zinc/26/41/87/389264187.db2.gz	HRGGYKLUQPJERU-SNVBAGLBSA-N	-1	0	296.352	0.106	20	30		CCEDRM
Cc1ccc(C(=O)N2CCO[C@H](c3nnn[n-]3)C2)cc1C#N	ZINC000367102149	389321088	/nfs/dbraw/zinc/32/10/88/389321088.db2.gz	VACKGWOVCVJEOW-LBPRGKRZSA-N	-1	0	298.306	0.594	20	30		CCEDRM
Cn1cccc(N/C([O-])=N/C[C@@H]2CC[C@@H](O)C2)c1=O	ZINC000331033834	389290388	/nfs/dbraw/zinc/29/03/88/389290388.db2.gz	KBLGHPIYDSMWKE-NXEZZACHSA-N	-1	0	265.313	0.872	20	30		CCEDRM
Cn1cccc(N/C([O-])=N/C[C@@H]2CC[C@H](O)C2)c1=O	ZINC000331033835	389290642	/nfs/dbraw/zinc/29/06/42/389290642.db2.gz	KBLGHPIYDSMWKE-ZJUUUORDSA-N	-1	0	265.313	0.872	20	30		CCEDRM
Cc1oc(C#N)cc1C(=O)[N-]S(=O)(=O)[C@H]1CCOC1	ZINC000408489800	389368042	/nfs/dbraw/zinc/36/80/42/389368042.db2.gz	WEQYYQJNSMYSMA-VIFPVBQESA-N	-1	0	284.293	0.308	20	30		CCEDRM
C=CC[C@@H](NS(=O)(=O)c1ccc2c(c1)CCO2)C(=O)[O-]	ZINC000159615453	389370816	/nfs/dbraw/zinc/37/08/16/389370816.db2.gz	LBXBIIBSWAXJCF-LLVKDONJSA-N	-1	0	297.332	0.929	20	30		CCEDRM
C=CCn1cc(CNC(=O)[C@H]2CC[C@@H](C(=O)[O-])C2)nn1	ZINC000425250928	389642562	/nfs/dbraw/zinc/64/25/62/389642562.db2.gz	GEKVGQVXPPHLMO-VHSXEESVSA-N	-1	0	278.312	0.581	20	30		CCEDRM
C=CCn1cc(CNC(=O)[C@H]2CC[C@H](C(=O)[O-])CC2)nn1	ZINC000425251394	389642942	/nfs/dbraw/zinc/64/29/42/389642942.db2.gz	HGECRTJYVWMVAB-XYPYZODXSA-N	-1	0	292.339	0.971	20	30		CCEDRM
C=CCCn1cc(C(=O)N2CCC[C@@H]2CC(=O)[O-])nn1	ZINC000425263037	389644069	/nfs/dbraw/zinc/64/40/69/389644069.db2.gz	ZMXQPDAQCKCVSL-SNVBAGLBSA-N	-1	0	278.312	0.934	20	30		CCEDRM
C=CC[C@@H](CC)NC(=O)N=c1ncn(CC(=O)OCC)[n-]1	ZINC000425699817	389655576	/nfs/dbraw/zinc/65/55/76/389655576.db2.gz	AIYRRWFDHJXDJE-SNVBAGLBSA-N	-1	0	295.343	0.739	20	30		CCEDRM
COCCN=c1[n-]nc(SC[C@@H](O)CC#N)s1	ZINC000352160253	389762819	/nfs/dbraw/zinc/76/28/19/389762819.db2.gz	ISBAHTLBPSUQOF-ZETCQYMHSA-N	-1	0	274.371	0.385	20	30		CCEDRM
Cc1[n-][nH]c(=NC(=O)C2(N3CCOCC3)CCC2)c1C#N	ZINC000377241128	389746180	/nfs/dbraw/zinc/74/61/80/389746180.db2.gz	INGBLKHSDLXDMX-UHFFFAOYSA-N	-1	0	289.339	0.205	20	30		CCEDRM
N#Cc1ccc(CCC(=O)NCc2n[n-]c(=N)o2)cc1	ZINC000352098367	389752241	/nfs/dbraw/zinc/75/22/41/389752241.db2.gz	PFWRZJTYYMXCBD-UHFFFAOYSA-N	-1	0	271.280	0.603	20	30		CCEDRM
Cc1[n-][nH]c(=NC(=O)c2cccc3c2OCO3)c1C#N	ZINC000431456226	389859955	/nfs/dbraw/zinc/85/99/55/389859955.db2.gz	IMUYDBSKDYGMKH-UHFFFAOYSA-N	-1	0	270.248	0.993	20	30		CCEDRM
Cc1ccc(S(=O)(=O)[N-]c2c(C#N)cnn2C)o1	ZINC000438252240	390004263	/nfs/dbraw/zinc/00/42/63/390004263.db2.gz	JPVFGOFYUOYJQD-UHFFFAOYSA-N	-1	0	266.282	0.994	20	30		CCEDRM
C=CCSCCNC(=O)C(=O)NCCCC(=O)[O-]	ZINC000420542683	390011363	/nfs/dbraw/zinc/01/13/63/390011363.db2.gz	LCNFDAICDFDZHL-UHFFFAOYSA-N	-1	0	274.342	0.003	20	30		CCEDRM
N#Cc1ccc(CN=c2ccc(C(=O)NCCO)n[n-]2)cc1	ZINC000488375076	390093179	/nfs/dbraw/zinc/09/31/79/390093179.db2.gz	ZWXJMGHEBUDZNN-UHFFFAOYSA-N	-1	0	297.318	0.104	20	30		CCEDRM
N#Cc1ccc(S(=O)(=O)NCCC(=O)[O-])c(F)c1	ZINC000535498124	390144657	/nfs/dbraw/zinc/14/46/57/390144657.db2.gz	UDUFMBALFHRZPL-UHFFFAOYSA-N	-1	0	272.257	0.450	20	30		CCEDRM
N#CC1(C(=O)N2CCC[C@H](c3nnn[n-]3)C2)CCC1	ZINC000539326413	390205450	/nfs/dbraw/zinc/20/54/50/390205450.db2.gz	WNQMMWLVRYRQPW-VIFPVBQESA-N	-1	0	260.301	0.600	20	30		CCEDRM
C#CCO[N-]C(=O)[C@@H]1CCO[C@H]1CNC(=O)OC(C)(C)C	ZINC000496081585	390295632	/nfs/dbraw/zinc/29/56/32/390295632.db2.gz	JPBUMYFJKFVDIK-MNOVXSKESA-N	-1	0	298.339	0.597	20	30		CCEDRM
C=CCCCS(=O)(=O)N(CCO)[C@@H](C)CC(=O)[O-]	ZINC000644629286	390270022	/nfs/dbraw/zinc/27/00/22/390270022.db2.gz	PJEDAKIEQZYEKD-JTQLQIEISA-N	-1	0	279.358	0.440	20	30		CCEDRM
C=C(C)[C@H]1OCC[C@H]1C(=O)NCC1(C(=O)[O-])CC1	ZINC000584352940	390338718	/nfs/dbraw/zinc/33/87/18/390338718.db2.gz	HMYUXMDSHQLQKB-NXEZZACHSA-N	-1	0	253.298	0.949	20	30		CCEDRM
CN(CCC#N)S(=O)(=O)NC[C@H](CC(=O)[O-])C(F)F	ZINC000584494567	390349754	/nfs/dbraw/zinc/34/97/54/390349754.db2.gz	POQDRFFNPBZMPQ-ZETCQYMHSA-N	-1	0	299.299	0.022	20	30		CCEDRM
Cc1c(C#N)c(=NC(=O)[C@H]2CCC(=O)[C@@H](C)C2)[n-]n1C	ZINC000648434704	390372442	/nfs/dbraw/zinc/37/24/42/390372442.db2.gz	WVTICKJVESQZDE-WPRPVWTQSA-N	-1	0	274.324	0.966	20	30		CCEDRM
C=CCCS(=O)(=O)N[C@H](COCC=C)C(=O)[O-]	ZINC000564927493	390498154	/nfs/dbraw/zinc/49/81/54/390498154.db2.gz	XQAFNPUWIQITQZ-SECBINFHSA-N	-1	0	263.315	0.138	20	30		CCEDRM
N#CC1(CS(=O)(=O)N2CC[C@H]2C(=O)[O-])CCCCC1	ZINC000515191810	390473554	/nfs/dbraw/zinc/47/35/54/390473554.db2.gz	QJZCKWXRUHVVJP-JTQLQIEISA-N	-1	0	286.353	0.949	20	30		CCEDRM
C=CCCS(=O)(=O)NC[C@H](CC(=O)[O-])C(F)F	ZINC000520652963	390587008	/nfs/dbraw/zinc/58/70/08/390587008.db2.gz	XEJNFIPWXZUCCA-ZETCQYMHSA-N	-1	0	271.285	0.838	20	30		CCEDRM
C[C@H](CC#N)N(C)S(=O)(=O)N1CC[C@H](CC(=O)[O-])C1	ZINC000519662838	390526363	/nfs/dbraw/zinc/52/63/63/390526363.db2.gz	ZTWUIIUZECJRPC-NXEZZACHSA-N	-1	0	289.357	0.262	20	30		CCEDRM
C=CCOC[C@@H](NC(=O)Nc1ccncc1)C(=O)[O-]	ZINC000566855273	390654450	/nfs/dbraw/zinc/65/44/50/390654450.db2.gz	DGYFSAIYMSIJDA-SNVBAGLBSA-N	-1	0	265.269	0.281	20	30		CCEDRM
C=C(C)[C@H]1OCC[C@H]1C(=O)N1CCO[C@H](C(=O)[O-])C1	ZINC000568398053	390713900	/nfs/dbraw/zinc/71/39/00/390713900.db2.gz	MMXXBCACHAMRKX-OUAUKWLOSA-N	-1	0	269.297	0.280	20	30		CCEDRM
C=CCC[C@@H](NC(=O)N[C@@H](C)Cn1cncn1)C(=O)[O-]	ZINC000570022843	390717179	/nfs/dbraw/zinc/71/71/79/390717179.db2.gz	VQQSPPNDVJJFQK-VHSXEESVSA-N	-1	0	281.316	0.385	20	30		CCEDRM
CC(C)CNC(=O)N1CC(n2cc(C#N)c(=O)[n-]c2=O)C1	ZINC000527633248	390718980	/nfs/dbraw/zinc/71/89/80/390718980.db2.gz	UXGIUMWBYPQCDZ-UHFFFAOYSA-N	-1	0	291.311	0.043	20	30		CCEDRM
CSc1nc(=O)n(CC(=O)N[C@](C)(C#N)C2CC2)[n-]1	ZINC000527309395	390702155	/nfs/dbraw/zinc/70/21/55/390702155.db2.gz	DFQSBRWPBWAQOK-LLVKDONJSA-N	-1	0	281.341	0.102	20	30		CCEDRM
Cn1cc(C#N)c(=NC(=O)c2ccc([N+](=O)[O-])cn2)[n-]1	ZINC000531631804	390878148	/nfs/dbraw/zinc/87/81/48/390878148.db2.gz	VIXWBPSUFCACSD-UHFFFAOYSA-N	-1	0	272.224	0.269	20	30		CCEDRM
C[C@@H](NS(=O)(=O)N(C)C[C@H](C)C#N)[C@H](C)C(=O)[O-]	ZINC000572965731	390814399	/nfs/dbraw/zinc/81/43/99/390814399.db2.gz	YZKJEMSVKDPGHE-HRDYMLBCSA-N	-1	0	277.346	0.021	20	30		CCEDRM
N#Cc1c[nH]nc1[N-]S(=O)(=O)CCOCC1CC1	ZINC000572991361	390817397	/nfs/dbraw/zinc/81/73/97/390817397.db2.gz	VOLRKAVIOQIRHV-UHFFFAOYSA-N	-1	0	270.314	0.450	20	30		CCEDRM
C=CCn1cc(C(=O)N2CCC[C@H](C(=O)[O-])C2)nn1	ZINC000647598307	390847897	/nfs/dbraw/zinc/84/78/97/390847897.db2.gz	KTHKWSRDYKQKFX-VIFPVBQESA-N	-1	0	264.285	0.401	20	30		CCEDRM
COc1ccc(=NC(=O)NC[C@@H](O)C2CC2)[n-]n1	ZINC000329143820	533253176	/nfs/dbraw/zinc/25/31/76/533253176.db2.gz	VVQORFAHTVUSSA-MRVPVSSYSA-N	-1	0	252.274	0.004	20	30		CCEDRM
COC(=O)CCNC(=O)c1cc(C#N)c(SC)[n-]c1=O	ZINC000342055892	130225742	/nfs/dbraw/zinc/22/57/42/130225742.db2.gz	MSCYZUUKAMUTOZ-UHFFFAOYSA-N	-1	0	295.320	0.674	20	30		CCEDRM
N#Cc1ccc(S(=O)(=O)N2CCC[C@@H]2C(=O)[O-])o1	ZINC000262336436	131213365	/nfs/dbraw/zinc/21/33/65/131213365.db2.gz	XFJSRJFSBWDHII-MRVPVSSYSA-N	-1	0	270.266	0.389	20	30		CCEDRM
C=CCOCCCC(=O)NCCSCC(=O)[O-]	ZINC000268907269	132086361	/nfs/dbraw/zinc/08/63/61/132086361.db2.gz	OKFRKDRHDPWCBM-UHFFFAOYSA-N	-1	0	261.343	0.903	20	30		CCEDRM
Cc1[n-][nH]c(=NC(=O)c2cn3ccnc3s2)c1C#N	ZINC000357167338	144066135	/nfs/dbraw/zinc/06/61/35/144066135.db2.gz	SRSMXCNWYXOOPI-UHFFFAOYSA-N	-1	0	272.293	0.973	20	30		CCEDRM
Cc1[n-][nH]c(=NC(=O)c2cnc3c(c2)ncn3C)c1C#N	ZINC000357241731	144072707	/nfs/dbraw/zinc/07/27/07/144072707.db2.gz	KMKGHCBFQNBSBX-UHFFFAOYSA-N	-1	0	281.279	0.546	20	30		CCEDRM
N#Cc1cc(F)ccc1S(=O)(=O)N[C@H](C(=O)[O-])C1CC1	ZINC000548222647	286017638	/nfs/dbraw/zinc/01/76/38/286017638.db2.gz	OKXAWRBFTSIEDC-NSHDSACASA-N	-1	0	298.295	0.839	20	30		CCEDRM
N#Cc1ccc(NC(=O)NCS(=O)(=O)[O-])cc1	ZINC000006092658	170175859	/nfs/dbraw/zinc/17/58/59/170175859.db2.gz	WAJYOAVKNGUXRF-UHFFFAOYSA-N	-1	0	255.255	0.525	20	30		CCEDRM
C=CC(C)(C)CNC(=O)C(=O)N=c1ncn(C(C)C)[n-]1	ZINC000651836178	411940991	/nfs/dbraw/zinc/94/09/91/411940991.db2.gz	LFNPZRLFCPRTLR-UHFFFAOYSA-N	-1	0	279.344	0.548	20	30		CCEDRM
N#Cc1ncn(CCNC(=O)CC2(C(=O)[O-])CCCC2)n1	ZINC000284984999	196170951	/nfs/dbraw/zinc/17/09/51/196170951.db2.gz	GCYIHRHAUXCUFK-UHFFFAOYSA-N	-1	0	291.311	0.301	20	30		CCEDRM
C=C[C@H](CCC(=O)[O-])NS(=O)(=O)CC[C@@H]1CCCO1	ZINC000654787533	412438533	/nfs/dbraw/zinc/43/85/33/412438533.db2.gz	AMWVERKNVOOWPD-MNOVXSKESA-N	-1	0	291.369	0.894	20	30		CCEDRM
C=CCN(CC=C)C(=O)[C@@H](C)N(C)Cc1n[n-]c(=O)o1	ZINC000660850436	414508015	/nfs/dbraw/zinc/50/80/15/414508015.db2.gz	MTEQJXKGTCTCLQ-SNVBAGLBSA-N	-1	0	280.328	0.796	20	30		CCEDRM
CCN(CC(=O)[O-])S(=O)(=O)Cc1ccccc1C#N	ZINC000038017194	173991161	/nfs/dbraw/zinc/99/11/61/173991161.db2.gz	HVCUPQFNGMEWLJ-UHFFFAOYSA-N	-1	0	282.321	0.795	20	30		CCEDRM
C=CC[C@@H]1CCCN(C(=O)C(=O)N(C)C[C@@H](C)C(=O)[O-])C1	ZINC000662914702	414888640	/nfs/dbraw/zinc/88/86/40/414888640.db2.gz	UFQASQYUAPPZKQ-VXGBXAGGSA-N	-1	0	296.367	0.980	20	30		CCEDRM
C=CC[C@@H](CO)NC(=O)NC[C@@H](C(=O)[O-])C1CCC1	ZINC000665319945	415598556	/nfs/dbraw/zinc/59/85/56/415598556.db2.gz	BTHYCBLFVKZFGZ-WDEREUQCSA-N	-1	0	270.329	0.724	20	30		CCEDRM
O=C(N=c1cn[n-]s1)N[C@H]1CCCS(=O)(=O)C1	ZINC000330205218	228065236	/nfs/dbraw/zinc/06/52/36/228065236.db2.gz	CGJLBRXTPZERSV-LURJTMIESA-N	-1	0	276.343	0.441	20	30		CCEDRM
C=CCNC(=O)CN1CCc2ccccc2[C@@H]1C(=O)[O-]	ZINC000043594190	544429918	/nfs/dbraw/zinc/42/99/18/544429918.db2.gz	FHQGRLXEFAFEPF-CQSZACIVSA-N	-1	0	274.320	0.973	20	30		CCEDRM
C=CCOCCNS(=O)(=O)c1cc(C(=O)[O-])cs1	ZINC000302448696	544981908	/nfs/dbraw/zinc/98/19/08/544981908.db2.gz	VHONPMZNGRUDPP-UHFFFAOYSA-N	-1	0	291.350	0.927	20	30		CCEDRM
C=CCC[C@@H](NS(=O)(=O)c1cn(CC)cn1)C(=O)[O-]	ZINC000316503763	545015695	/nfs/dbraw/zinc/01/56/95/545015695.db2.gz	SEQPNVCTDFMXSV-SECBINFHSA-N	-1	0	287.341	0.601	20	30		CCEDRM
C=CCC[C@H](NS(=O)(=O)c1cn(CC)cn1)C(=O)[O-]	ZINC000316503766	545015791	/nfs/dbraw/zinc/01/57/91/545015791.db2.gz	SEQPNVCTDFMXSV-VIFPVBQESA-N	-1	0	287.341	0.601	20	30		CCEDRM
Cn1ccc(S(=O)(=O)[N-]c2ncc(C#N)s2)n1	ZINC000610725154	420495028	/nfs/dbraw/zinc/49/50/28/420495028.db2.gz	JATNFFNZSRJNRO-UHFFFAOYSA-N	-1	0	269.311	0.549	20	30		CCEDRM
C=CCn1cc(C[N-]S(=O)(=O)c2c(C)noc2C)nn1	ZINC000518760859	261267310	/nfs/dbraw/zinc/26/73/10/261267310.db2.gz	LJEQMZIOEUWFAN-UHFFFAOYSA-N	-1	0	297.340	0.547	20	30		CCEDRM
C#C[C@@H](NC(=O)N=c1nc2nc(C)cc(C)n2[n-]1)C(C)C	ZINC000491191832	261366077	/nfs/dbraw/zinc/36/60/77/261366077.db2.gz	IIKATCHZXHKIIE-LLVKDONJSA-N	-1	0	286.339	0.942	20	30		CCEDRM
CSc1nn(CC(=O)N[C@@](C)(C#N)C(C)C)c(=O)[n-]1	ZINC000188168025	262232109	/nfs/dbraw/zinc/23/21/09/262232109.db2.gz	DKDZTQVHYILAEO-NSHDSACASA-N	-1	0	283.357	0.348	20	30		CCEDRM
C=CCCO[C@H](C)C(=O)N1CCO[C@H](c2nnn[n-]2)C1	ZINC000364530538	262253172	/nfs/dbraw/zinc/25/31/72/262253172.db2.gz	YXZPBYLNBCVNOR-ZJUUUORDSA-N	-1	0	281.316	0.081	20	30		CCEDRM
COC[C@@](C)(C#N)NC(=O)c1cc([N+](=O)[O-])ccc1[O-]	ZINC000272354367	263003529	/nfs/dbraw/zinc/00/35/29/263003529.db2.gz	DEGKHGFHKMVXDA-GFCCVEGCSA-N	-1	0	279.252	0.959	20	30		CCEDRM
C=CCCS(=O)(=O)[N-]c1ccn(CC(=O)OC)n1	ZINC000120171910	263282850	/nfs/dbraw/zinc/28/28/50/263282850.db2.gz	MACKAQGCPWGJFJ-UHFFFAOYSA-N	-1	0	273.314	0.374	20	30		CCEDRM
C=C(C)CN(CC)C(=O)C(=O)N=c1ccc(OC)n[n-]1	ZINC000342191779	263397602	/nfs/dbraw/zinc/39/76/02/263397602.db2.gz	GWKUYUSYAWKBOZ-UHFFFAOYSA-N	-1	0	278.312	0.270	20	30		CCEDRM
CCCc1nc(=NC(=O)NC[C@H]2COCCO2)s[n-]1	ZINC000330847790	264067127	/nfs/dbraw/zinc/06/71/27/264067127.db2.gz	MATUNOAVOPBBAT-QMMMGPOBSA-N	-1	0	286.357	0.654	20	30		CCEDRM
CC[C@@H](C)N(CC(=O)[O-])S(=O)(=O)N(C)C[C@H](C)C#N	ZINC000417425595	264243358	/nfs/dbraw/zinc/24/33/58/264243358.db2.gz	ZBZBLIJKIQRONT-NXEZZACHSA-N	-1	0	291.373	0.508	20	30		CCEDRM
C[C@H](CC#N)N(C)S(=O)(=O)N1CCCC[C@@H]1C(=O)[O-]	ZINC000063087666	264620851	/nfs/dbraw/zinc/62/08/51/264620851.db2.gz	UDJIEBVZTIGIGU-NXEZZACHSA-N	-1	0	289.357	0.404	20	30		CCEDRM
C=CCCCS(=O)(=O)N[C@H]1C=C[C@H](C(=O)[O-])C1	ZINC000291827773	264844674	/nfs/dbraw/zinc/84/46/74/264844674.db2.gz	FVRREAWUUFYPKU-UWVGGRQHSA-N	-1	0	259.327	0.901	20	30		CCEDRM
CC[C@H](C)N(CC(=O)[O-])S(=O)(=O)CC1(C#N)CC1	ZINC000362169401	266937372	/nfs/dbraw/zinc/93/73/72/266937372.db2.gz	GZWCKFGKSJNNHB-VIFPVBQESA-N	-1	0	274.342	0.805	20	30		CCEDRM
CC(C)[C@@H](CC(=O)[O-])NS(=O)(=O)c1ccc(C#N)o1	ZINC000287715159	279825735	/nfs/dbraw/zinc/82/57/35/279825735.db2.gz	YHKQGVJVJHZGQG-SECBINFHSA-N	-1	0	286.309	0.929	20	30		CCEDRM
CN1CCO[C@H]2CN(C(=O)N=c3cn[n-]s3)C[C@H]21	ZINC000330269915	290119972	/nfs/dbraw/zinc/11/99/72/290119972.db2.gz	SOXGYABGTSCCKY-SFYZADRCSA-N	-1	0	269.330	0.098	20	30		CCEDRM
N#Cc1ccccc1S(=O)(=O)N1CSC[C@H]1C(=O)[O-]	ZINC000021035807	303207569	/nfs/dbraw/zinc/20/75/69/303207569.db2.gz	KTLMYBQODHXVKH-VIFPVBQESA-N	-1	0	298.345	0.706	20	30		CCEDRM
CCOC(=O)c1[nH]c(=O)n(-c2cccc(CC#N)c2)c1[O-]	ZINC000414365273	328155562	/nfs/dbraw/zinc/15/55/62/328155562.db2.gz	OEVRULMHYHQAQK-NSHDSACASA-N	-1	0	287.275	0.741	20	30		CCEDRM
C=CCN=c1[n-]nc(S[C@@H]2CCN(C)C2=O)s1	ZINC000340845652	328400606	/nfs/dbraw/zinc/40/06/06/328400606.db2.gz	KWVFFQDRAHJQGZ-SSDOTTSWSA-N	-1	0	270.383	0.881	20	30		CCEDRM
C#CCO[N-]C(=O)[C@@H](C)NC(=O)c1cccc(C)c1	ZINC000291376870	328534281	/nfs/dbraw/zinc/53/42/81/328534281.db2.gz	ZVWPWUYFJIPSKZ-LLVKDONJSA-N	-1	0	260.293	0.794	20	30		CCEDRM
Cc1n[n-]c(=NC(=O)c2ccc(CC#N)cc2)n1C	ZINC000345392337	328565681	/nfs/dbraw/zinc/56/56/81/328565681.db2.gz	HDMDXKGARYHBNV-UHFFFAOYSA-N	-1	0	255.281	0.864	20	30		CCEDRM
CC[C@H](NS(=O)(=O)N(CC)C[C@H](C)C#N)C(=O)[O-]	ZINC000570280609	327581013	/nfs/dbraw/zinc/58/10/13/327581013.db2.gz	AISFWFXEDZTLRX-BDAKNGLRSA-N	-1	0	277.346	0.166	20	30		CCEDRM
C=C(C)[C@@H]1OCC[C@H]1CNC(=O)c1n[nH]c(=O)[n-]1	ZINC000580392064	328803314	/nfs/dbraw/zinc/80/33/14/328803314.db2.gz	GEKILAYPVZJTLT-YUMQZZPRSA-N	-1	0	252.274	0.221	20	30		CCEDRM
C=CCOCCCC(=O)N1CCO[C@@H](c2nnn[n-]2)C1	ZINC000377865204	329032633	/nfs/dbraw/zinc/03/26/33/329032633.db2.gz	IMXWGOGTTPQUFC-SNVBAGLBSA-N	-1	0	281.316	0.082	20	30		CCEDRM
CCN(C[C@@H](C)C#N)S(=O)(=O)NCCCCC(=O)[O-]	ZINC000584473337	329494454	/nfs/dbraw/zinc/49/44/54/329494454.db2.gz	YFSBGZZFIRUAQT-JTQLQIEISA-N	-1	0	291.373	0.557	20	30		CCEDRM
C=C(CC)CNC(=O)C(=O)N1CCC[C@H](C(=O)[O-])C1	ZINC000420581448	329778026	/nfs/dbraw/zinc/77/80/26/329778026.db2.gz	LFUSLQZHQFSZNK-JTQLQIEISA-N	-1	0	268.313	0.392	20	30		CCEDRM
C[C@@H](CN(C)S(=O)(=O)N(C)[C@@H](C)CC#N)C(=O)[O-]	ZINC000571926695	329929882	/nfs/dbraw/zinc/92/98/82/329929882.db2.gz	BKJJUSNCQJIIGK-IUCAKERBSA-N	-1	0	277.346	0.118	20	30		CCEDRM
C=CCCO[C@H](C)C(=O)N1C[C@H](OC)C[C@H]1C(=O)[O-]	ZINC000262216082	330001819	/nfs/dbraw/zinc/00/18/19/330001819.db2.gz	YYJWEZLQBAZIAC-MXWKQRLJSA-N	-1	0	271.313	0.668	20	30		CCEDRM
C=CCN(CC(=O)NCC(=O)[O-])Cc1ccc(OC)cc1	ZINC000262278462	330003656	/nfs/dbraw/zinc/00/36/56/330003656.db2.gz	WJADRJOCLBFKCI-UHFFFAOYSA-N	-1	0	292.335	0.884	20	30		CCEDRM
N#CCCCS(=O)(=O)N1CCCC[C@H]1C(=O)[O-]	ZINC000262692377	330027600	/nfs/dbraw/zinc/02/76/00/330027600.db2.gz	WKYXLYNWBZJRQW-VIFPVBQESA-N	-1	0	260.315	0.559	20	30		CCEDRM
C=CCOC[C@@H](NC(=O)c1cc(C2CC2)n[nH]1)C(=O)[O-]	ZINC000262912553	330036716	/nfs/dbraw/zinc/03/67/16/330036716.db2.gz	FNJJMLIGZOFKMZ-LLVKDONJSA-N	-1	0	279.296	0.673	20	30		CCEDRM
C=CCOC[C@@H](NC(=O)CN1CCCCCC1=O)C(=O)[O-]	ZINC000263158864	330046640	/nfs/dbraw/zinc/04/66/40/330046640.db2.gz	XYMVVBZETTXFIK-LLVKDONJSA-N	-1	0	298.339	0.161	20	30		CCEDRM
C=CCOc1cccnc1C(=O)NCCC(=O)[O-]	ZINC000263272045	330051257	/nfs/dbraw/zinc/05/12/57/330051257.db2.gz	PGAZOZRGQIHKKU-UHFFFAOYSA-N	-1	0	250.254	0.851	20	30		CCEDRM
C#CCOc1cccc(NC(=O)NC[C@](C)(O)C(=O)[O-])c1	ZINC000263481343	330057490	/nfs/dbraw/zinc/05/74/90/330057490.db2.gz	KXWZYQMHZJXVAX-AWEZNQCLSA-N	-1	0	292.291	0.656	20	30		CCEDRM
CCC[C@@H](NS(=O)(=O)N(C)C[C@H](C)C#N)C(=O)[O-]	ZINC000263505548	330058279	/nfs/dbraw/zinc/05/82/79/330058279.db2.gz	VNEUEILCCYJZNA-RKDXNWHRSA-N	-1	0	277.346	0.166	20	30		CCEDRM
C=C(C)C[C@H](C)C(=O)N1CC2N=NC(=O)N2C[C@@H]1C(=O)[O-]	ZINC000424224874	330330239	/nfs/dbraw/zinc/33/02/39/330330239.db2.gz	BOIAZBMSGLHVJC-DTWKUNHWSA-N	-1	0	294.311	0.381	20	30		CCEDRM
C=CCCn1cc(C(=O)N[C@@H](CCC)C(=O)[O-])nn1	ZINC000424229068	330330720	/nfs/dbraw/zinc/33/07/20/330330720.db2.gz	WAKUOTCJSULMJD-VIFPVBQESA-N	-1	0	266.301	0.837	20	30		CCEDRM
C=CCCn1cc(C(=O)N([C@@H](C)C(=O)[O-])C2CC2)nn1	ZINC000424261122	330332572	/nfs/dbraw/zinc/33/25/72/330332572.db2.gz	ZJMJDRIJUBHHAM-VIFPVBQESA-N	-1	0	278.312	0.932	20	30		CCEDRM
CC#CCCNC(=O)C(=O)NCCC(C)(C)C(=O)[O-]	ZINC000424478661	330354813	/nfs/dbraw/zinc/35/48/13/330354813.db2.gz	GOLVDZJNQITOBC-UHFFFAOYSA-N	-1	0	268.313	0.133	20	30		CCEDRM
N#C[C@@]1(NC(=O)c2cccc([N+](=O)[O-])c2[O-])CCOC1	ZINC000436929104	330688792	/nfs/dbraw/zinc/68/87/92/330688792.db2.gz	YAJKDAHULFSIOX-LBPRGKRZSA-N	-1	0	277.236	0.713	20	30		CCEDRM
C=CCOC[C@@H](NC(=O)c1cccc2c1OCO2)C(=O)[O-]	ZINC000455876013	331179348	/nfs/dbraw/zinc/17/93/48/331179348.db2.gz	KOMFHECFQJAXMJ-SNVBAGLBSA-N	-1	0	293.275	0.801	20	30		CCEDRM
C#C[C@@H](C)N(C)C(=O)C(=O)N=c1[n-]nc(C(C)(C)C)s1	ZINC000491419337	332208358	/nfs/dbraw/zinc/20/83/58/332208358.db2.gz	ULVNHYYSJTUNBH-MRVPVSSYSA-N	-1	0	294.380	0.676	20	30		CCEDRM
C#CCn1ccc(CN(CC)C(=O)NCCCC(=O)[O-])n1	ZINC000491739537	332318843	/nfs/dbraw/zinc/31/88/43/332318843.db2.gz	DGLNOBJXMULSFV-UHFFFAOYSA-N	-1	0	292.339	0.913	20	30		CCEDRM
C#C[C@H]1COCCN1Cc1c([O-])nnn1-c1ccccc1	ZINC000491764811	332333492	/nfs/dbraw/zinc/33/34/92/332333492.db2.gz	DMEYWCHYAKAGQQ-LBPRGKRZSA-N	-1	0	284.319	0.807	20	30		CCEDRM
C#C[C@H]1COCCN1CC(=O)[N-]OCc1ccccc1	ZINC000491791655	332352683	/nfs/dbraw/zinc/35/26/83/332352683.db2.gz	ALWSJKDJEALSSV-AWEZNQCLSA-N	-1	0	274.320	0.568	20	30		CCEDRM
C#C[C@H](NC(=O)c1cc(=O)[nH][n-]1)c1ccc(F)cc1	ZINC000491804528	332358380	/nfs/dbraw/zinc/35/83/80/332358380.db2.gz	MMJQMYUMRMKIKY-JTQLQIEISA-N	-1	0	259.240	0.492	20	30		CCEDRM
C#C[C@@H](NC(=O)c1cc(=O)[nH][n-]1)c1ccc(F)cc1	ZINC000491804529	332358418	/nfs/dbraw/zinc/35/84/18/332358418.db2.gz	MMJQMYUMRMKIKY-SNVBAGLBSA-N	-1	0	259.240	0.492	20	30		CCEDRM
C=CCS(=O)(=O)[N-]C(=O)[C@@H](NC(=O)OCC)C(C)C	ZINC000494591644	332479202	/nfs/dbraw/zinc/47/92/02/332479202.db2.gz	YFTFUTCEDXZJQS-VIFPVBQESA-N	-1	0	292.357	0.389	20	30		CCEDRM
C=CCCCS(=O)(=O)N[C@@H](C(=O)[O-])[C@H](O)CCC	ZINC000521159706	333112720	/nfs/dbraw/zinc/11/27/20/333112720.db2.gz	QDYZWJWFZJQKMZ-NXEZZACHSA-N	-1	0	279.358	0.486	20	30		CCEDRM
C#CCN(CC#C)S(=O)(=O)c1cccc(C(=O)[O-])c1	ZINC000185039946	333134739	/nfs/dbraw/zinc/13/47/39/333134739.db2.gz	YXNPGKCFXONYEC-UHFFFAOYSA-N	-1	0	277.301	0.642	20	30		CCEDRM
CC[C@@](C)(C#N)NC(=O)c1c[nH]c2nc(=O)[n-]c(=O)c-2c1	ZINC000523670035	333336542	/nfs/dbraw/zinc/33/65/42/333336542.db2.gz	QDVIEDWXHKXICP-ZDUSSCGKSA-N	-1	0	287.279	0.858	20	30		CCEDRM
N#CCCCS(=O)(=O)NC[C@@H](CC(=O)[O-])C(F)F	ZINC000564204591	333592024	/nfs/dbraw/zinc/59/20/24/333592024.db2.gz	STWZFZJGLOQGRP-SSDOTTSWSA-N	-1	0	284.284	0.566	20	30		CCEDRM
CC#CCCNC(=O)c1cc(C)c2c(=O)[n-]c(=O)nc-2[nH]1	ZINC000542674784	333836191	/nfs/dbraw/zinc/83/61/91/333836191.db2.gz	YPSNLBVLPHMSIH-UHFFFAOYSA-N	-1	0	286.291	0.888	20	30		CCEDRM
C[C@@H](CCNS(=O)(=O)CCCC#N)CC(=O)[O-]	ZINC000548235863	334146952	/nfs/dbraw/zinc/14/69/52/334146952.db2.gz	NFHUUOZAJSYWGX-VIFPVBQESA-N	-1	0	262.331	0.710	20	30		CCEDRM
COCCN(CCC(=O)[O-])S(=O)(=O)CC1(C#N)CC1	ZINC000548570527	334162740	/nfs/dbraw/zinc/16/27/40/334162740.db2.gz	GBKIVIUGNPVSJG-UHFFFAOYSA-N	-1	0	290.341	0.043	20	30		CCEDRM
CC[C@H](CNS(=O)(=O)CC1(C#N)CC1)CC(=O)[O-]	ZINC000548591081	334163214	/nfs/dbraw/zinc/16/32/14/334163214.db2.gz	AQTGSRBCANUDQT-VIFPVBQESA-N	-1	0	274.342	0.710	20	30		CCEDRM
C=CCN(C(=O)C(=O)N1CC[C@@H](C)[C@@H](C(=O)[O-])C1)C1CC1	ZINC000567270688	334699727	/nfs/dbraw/zinc/69/97/27/334699727.db2.gz	KDPVGWBJHJNYQC-PWSUYJOCSA-N	-1	0	294.351	0.733	20	30		CCEDRM
C=CCC[C@H](NS(=O)(=O)[C@@H](C)CCOC)C(=O)[O-]	ZINC000576642452	335229662	/nfs/dbraw/zinc/22/96/62/335229662.db2.gz	FWCZEOOIHWINQW-UWVGGRQHSA-N	-1	0	279.358	0.750	20	30		CCEDRM
CO[C@@H](CS(=O)(=O)[N-]c1ccn(CCC#N)n1)C1CC1	ZINC000576823398	335252135	/nfs/dbraw/zinc/25/21/35/335252135.db2.gz	QTLQCGYYDCRKQP-NSHDSACASA-N	-1	0	298.368	0.963	20	30		CCEDRM
N#CCCCS(=O)(=O)N[C@H](CC(=O)[O-])c1ccncc1	ZINC000580581473	335290941	/nfs/dbraw/zinc/29/09/41/335290941.db2.gz	LHYDJUIZEBFDBZ-LLVKDONJSA-N	-1	0	297.336	0.821	20	30		CCEDRM
C[C@H]1CCN(S(=O)(=O)CC2(CC#N)CC2)[C@H]1C(=O)[O-]	ZINC000577519259	335363973	/nfs/dbraw/zinc/36/39/73/335363973.db2.gz	UCLLMFNZPQOQMN-VHSXEESVSA-N	-1	0	286.353	0.805	20	30		CCEDRM
C[C@H](C#N)CN(C)S(=O)(=O)N1CC[C@H](CC(=O)[O-])C1	ZINC000578775848	335674000	/nfs/dbraw/zinc/67/40/00/335674000.db2.gz	MOLGSYYQPSNESL-NXEZZACHSA-N	-1	0	289.357	0.119	20	30		CCEDRM
N#Cc1cccc(CNS(=O)(=O)CCCC(=O)[O-])c1	ZINC000036228146	518196682	/nfs/dbraw/zinc/19/66/82/518196682.db2.gz	MXJMKPURWRDPDQ-UHFFFAOYSA-N	-1	0	282.321	0.842	20	30		CCEDRM
C=CCOC[C@H](NC(=O)[C@@H]1CO[C@H](C)C1)C(=O)[O-]	ZINC000668290690	545171382	/nfs/dbraw/zinc/17/13/82/545171382.db2.gz	VTSLPQXJPINJMC-UTLUCORTSA-N	-1	0	257.286	0.183	20	30		CCEDRM
C=CC[C@H](NS(=O)(=O)c1cccc2c1OCO2)C(=O)[O-]	ZINC000669837628	545222124	/nfs/dbraw/zinc/22/21/24/545222124.db2.gz	DQDVHJLQDUDSMS-QMMMGPOBSA-N	-1	0	299.304	0.723	20	30		CCEDRM
CCC[C@@H](NC(=O)c1ccc(C#N)n1C)c1nnn[n-]1	ZINC000450121947	528991042	/nfs/dbraw/zinc/99/10/42/528991042.db2.gz	LSKNISSXEYRFHE-SECBINFHSA-N	-1	0	273.300	0.681	20	30		CCEDRM
C=CC[C@@H](NS(=O)(=O)N1CCC[C@H]1C)C(=O)[O-]	ZINC000681558709	545456233	/nfs/dbraw/zinc/45/62/33/545456233.db2.gz	VRTUNYPAGDFIEL-RKDXNWHRSA-N	-1	0	262.331	0.334	20	30		CCEDRM
COCCO[N-]C(=O)C(=O)Nc1ccc(Cl)c(C#N)c1	ZINC000789828494	581158768	/nfs/dbraw/zinc/15/87/68/581158768.db2.gz	ZFVBWYAVGWMIHG-UHFFFAOYSA-N	-1	0	297.698	0.844	20	30		CCEDRM
N#CCOc1ccc(CNC(=O)[C@@H]2C[C@@H]2C(=O)[O-])cc1	ZINC000739087631	581175476	/nfs/dbraw/zinc/17/54/76/581175476.db2.gz	LJXLSJLWHOYKIC-NEPJUHHUSA-N	-1	0	274.276	0.926	20	30		CCEDRM
COCCCNC(=O)C(C#N)=C([O-])c1c[nH]c(C#N)c1	ZINC000779194349	581176589	/nfs/dbraw/zinc/17/65/89/581176589.db2.gz	RSSKXGUEICDRIP-LLVKDONJSA-N	-1	0	274.280	0.362	20	30		CCEDRM
Cc1nc2cc[n-]n2c(=O)c1CC(=O)OC(C)(C)C#N	ZINC000779225462	581177475	/nfs/dbraw/zinc/17/74/75/581177475.db2.gz	BIFXUNIUBSHTFU-UHFFFAOYSA-N	-1	0	274.280	0.719	20	30		CCEDRM
C[C@@H]1CN(C(=O)[O-])CCN1CC(=O)N[C@](C)(C#N)C1CC1	ZINC000739162428	581186329	/nfs/dbraw/zinc/18/63/29/581186329.db2.gz	UYGRYQWBZQVMRP-QMTHXVAHSA-N	-1	0	294.355	0.479	20	30		CCEDRM
COc1cc(C#N)ccc1S(=O)(=O)NC/C=C/C(=O)[O-]	ZINC000788445335	581188293	/nfs/dbraw/zinc/18/82/93/581188293.db2.gz	DBRARHMWXJMMQE-NSCUHMNNSA-N	-1	0	296.304	0.486	20	30		CCEDRM
C[C@H]1CN(c2nccnc2C#N)C[C@H](C)N1C(=O)[O-]	ZINC000739196035	581200877	/nfs/dbraw/zinc/20/08/77/581200877.db2.gz	FDQIQHZTXOKBBZ-IUCAKERBSA-N	-1	0	261.285	0.925	20	30		CCEDRM
C[C@H](CNC(=O)[O-])N(C)S(=O)(=O)CCCCC#N	ZINC000738945219	581212593	/nfs/dbraw/zinc/21/25/93/581212593.db2.gz	ZCKLWMWPIDBYPG-SECBINFHSA-N	-1	0	277.346	0.598	20	30		CCEDRM
COCCO[N-]C(=O)C(=O)Nc1ccc(C#N)c(Cl)c1	ZINC000748775961	581282463	/nfs/dbraw/zinc/28/24/63/581282463.db2.gz	AAGIOSAYSIYRQH-UHFFFAOYSA-N	-1	0	297.698	0.844	20	30		CCEDRM
CC[C@H](NN=Cc1ccc(S(N)(=O)=O)cc1)C(=O)[O-]	ZINC000793059071	581282568	/nfs/dbraw/zinc/28/25/68/581282568.db2.gz	XZPDYJLSOJXXEI-JTQLQIEISA-N	-1	0	285.325	0.121	20	30		CCEDRM
CC[C@@H](NN=Cc1cc(O)c(O)c(OC)c1)C(=O)[O-]	ZINC000793070397	581283160	/nfs/dbraw/zinc/28/31/60/581283160.db2.gz	APDDXZOGMKTXSC-MRVPVSSYSA-N	-1	0	268.269	0.893	20	30		CCEDRM
CC[C@H](NN=C1C(=O)Nc2cc(N(C)C)ccc21)C(=O)[O-]	ZINC000793071469	581283319	/nfs/dbraw/zinc/28/33/19/581283319.db2.gz	JMVVZQYFTGYAIU-JTQLQIEISA-N	-1	0	290.323	0.862	20	30		CCEDRM
CO[C@@H](C)CC(=O)[N-]S(=O)(=O)CC1(C#N)CC1	ZINC000793194965	581287802	/nfs/dbraw/zinc/28/78/02/581287802.db2.gz	BXWHWUWCJHXCLU-QMMMGPOBSA-N	-1	0	260.315	0.161	20	30		CCEDRM
Cc1cc(C(=O)[N-]S(=O)(=O)CC2(C#N)CC2)cc(=O)[nH]1	ZINC000793195008	581287820	/nfs/dbraw/zinc/28/78/20/581287820.db2.gz	DGPOACXCCSHKJD-UHFFFAOYSA-N	-1	0	295.320	0.459	20	30		CCEDRM
CC(C)n1cc(C(=O)[N-]S(=O)(=O)CC2(C#N)CC2)cn1	ZINC000793195326	581287871	/nfs/dbraw/zinc/28/78/71/581287871.db2.gz	JBEJKAQWIIUOAI-UHFFFAOYSA-N	-1	0	296.352	0.827	20	30		CCEDRM
C#CCCCC(=O)[N-]S(=O)(=O)CC1(C#N)CC1	ZINC000793194527	581287893	/nfs/dbraw/zinc/28/78/93/581287893.db2.gz	OICPCGCPYHCGCS-UHFFFAOYSA-N	-1	0	254.311	0.540	20	30		CCEDRM
CCO[C@H](CC)C(=O)[N-]S(=O)(=O)CC1(C#N)CC1	ZINC000793211933	581288527	/nfs/dbraw/zinc/28/85/27/581288527.db2.gz	HIRORQMMEIJWFK-SECBINFHSA-N	-1	0	274.342	0.551	20	30		CCEDRM
N#C[C@H]1CN(C(=O)[C@@H]2CCCN(C(=O)[O-])C2)CCO1	ZINC000738422938	581316779	/nfs/dbraw/zinc/31/67/79/581316779.db2.gz	NSZAXSYMCOWZEO-ZJUUUORDSA-N	-1	0	267.285	0.127	20	30		CCEDRM
N#Cc1ccc(S(=O)(=O)NC/C=C/C(=O)[O-])cc1F	ZINC000793989868	581326329	/nfs/dbraw/zinc/32/63/29/581326329.db2.gz	RZHXIGIJLTYUJK-OWOJBTEDSA-N	-1	0	284.268	0.616	20	30		CCEDRM
C#CCNC(=O)c1ccc(N[C@@H]2CCN(C(=O)[O-])C2)nc1	ZINC000738463247	581335199	/nfs/dbraw/zinc/33/51/99/581335199.db2.gz	PBZPZBUXSDZJPR-LLVKDONJSA-N	-1	0	288.307	0.609	20	30		CCEDRM
C=CCNC(=O)CN1C[C@H](C)N(C(=O)[O-])[C@@H](C)C1	ZINC000738495915	581362345	/nfs/dbraw/zinc/36/23/45/581362345.db2.gz	QDZTXVBOGZFXHE-UWVGGRQHSA-N	-1	0	255.318	0.361	20	30		CCEDRM
CCN(CC(=O)[O-])S(=O)(=O)c1cccc(CC#N)c1	ZINC000794908065	581390338	/nfs/dbraw/zinc/39/03/38/581390338.db2.gz	OZZKMMVRUPGQAG-UHFFFAOYSA-N	-1	0	282.321	0.848	20	30		CCEDRM
CC(C)(C#N)CC(=O)[N-]S(=O)(=O)CC(C)(C)C#N	ZINC000786481187	581442528	/nfs/dbraw/zinc/44/25/28/581442528.db2.gz	VDVZUTXQQFLJCV-UHFFFAOYSA-N	-1	0	271.342	0.922	20	30		CCEDRM
COCCCNC(=O)C(C#N)=C([O-])c1ccnc(C#N)c1	ZINC000796628868	581446695	/nfs/dbraw/zinc/44/66/95/581446695.db2.gz	CSCLIWITNFYBLB-LBPRGKRZSA-N	-1	0	286.291	0.428	20	30		CCEDRM
COCCNC(=O)C(C#N)=C([O-])c1occ2c1CCOC2	ZINC000796788340	581450590	/nfs/dbraw/zinc/45/05/90/581450590.db2.gz	JGSIPUYMEVEXOG-NSHDSACASA-N	-1	0	292.291	0.437	20	30		CCEDRM
C=CCOCCCC(=O)[N-]S(=O)(=O)c1cc[nH]n1	ZINC000796879351	581453504	/nfs/dbraw/zinc/45/35/04/581453504.db2.gz	VJRYMGOVJZYCHL-UHFFFAOYSA-N	-1	0	273.314	0.197	20	30		CCEDRM
CC#CCS(=O)(=O)[N-]C(=O)c1nnn(C(C)C)c1C	ZINC000797188213	581461520	/nfs/dbraw/zinc/46/15/20/581461520.db2.gz	ZMRPLQPJDRNXDI-UHFFFAOYSA-N	-1	0	284.341	0.250	20	30		CCEDRM
Cn1nc(COC(=O)c2cccc(C#N)c2)[n-]c1=O	ZINC000765385663	581510582	/nfs/dbraw/zinc/51/05/82/581510582.db2.gz	GKJFAFASCXAHCV-UHFFFAOYSA-N	-1	0	258.237	0.337	20	30		CCEDRM
C#CCOCCNC(=O)c1ccccc1[N-]S(C)(=O)=O	ZINC000753227716	581532440	/nfs/dbraw/zinc/53/24/40/581532440.db2.gz	OOQCKQNRWHIIDY-UHFFFAOYSA-N	-1	0	296.348	0.438	20	30		CCEDRM
CCN(CC(=O)Nc1ccn(CCC#N)n1)C(=O)[O-]	ZINC000739402431	581546996	/nfs/dbraw/zinc/54/69/96/581546996.db2.gz	JVDORQIRSBIOBC-UHFFFAOYSA-N	-1	0	265.273	0.735	20	30		CCEDRM
CN(CCC#N)C(=O)CN(C[C@H]1CCCO1)C(=O)[O-]	ZINC000739663507	581588996	/nfs/dbraw/zinc/58/89/96/581588996.db2.gz	HIIJRIGNQFJVJV-SNVBAGLBSA-N	-1	0	269.301	0.517	20	30		CCEDRM
CN(CCCNC(=O)[O-])C(=O)c1ccc(C#N)cn1	ZINC000739674428	581591149	/nfs/dbraw/zinc/59/11/49/581591149.db2.gz	HKUSOYHVXPZPOK-UHFFFAOYSA-N	-1	0	262.269	0.683	20	30		CCEDRM
C#Cc1ccc(C(=O)N(C)C[C@@H](C)c2nnn[n-]2)cn1	ZINC000735387860	581642180	/nfs/dbraw/zinc/64/21/80/581642180.db2.gz	IMUZPCSZUWANGO-SECBINFHSA-N	-1	0	270.296	0.452	20	30		CCEDRM
Cc1nnc([S-])n(N=Cc2cnc(N(C)C)s2)c1=O	ZINC000755511194	581643561	/nfs/dbraw/zinc/64/35/61/581643561.db2.gz	OJOJPSKADWYKPW-UHFFFAOYSA-N	-1	0	296.381	0.640	20	30		CCEDRM
N#CC1(COC(=O)Cn2[n-]cc3c(=O)ncnc2-3)CCC1	ZINC000768086173	581643845	/nfs/dbraw/zinc/64/38/45/581643845.db2.gz	LZOPZYRJUZLJIG-UHFFFAOYSA-N	-1	0	287.279	0.308	20	30		CCEDRM
CSCC[C@H](NC(=O)[O-])C(=O)Nc1cnn(CC#N)c1	ZINC000740012508	581644908	/nfs/dbraw/zinc/64/49/08/581644908.db2.gz	LXIPASPIBYPZCD-VIFPVBQESA-N	-1	0	297.340	0.734	20	30		CCEDRM
C#CCCS(=O)(=O)[N-]C(=O)c1cccc(N(C)C)c1	ZINC000788071975	581650020	/nfs/dbraw/zinc/65/00/20/581650020.db2.gz	RWQPSCXZXBRKMA-UHFFFAOYSA-N	-1	0	280.349	0.836	20	30		CCEDRM
Cc1nn(C[C@@H]2CCN(C(=O)[O-])C2)c(=O)c(C#N)c1C	ZINC000740254192	581652761	/nfs/dbraw/zinc/65/27/61/581652761.db2.gz	UNWQUBVGDLALRU-SNVBAGLBSA-N	-1	0	276.296	0.732	20	30		CCEDRM
O=C([O-])c1coc(Cn2ccc(C=NO)nc2=O)c1	ZINC000740269285	581656253	/nfs/dbraw/zinc/65/62/53/581656253.db2.gz	NAZZAJZIJGFQBA-UHFFFAOYSA-N	-1	0	263.209	0.391	20	30		CCEDRM
N#C[C@H](C(=O)[C@H]1CCN(C(=O)[O-])C1)C(=O)N1CCCC1	ZINC000740303948	581662059	/nfs/dbraw/zinc/66/20/59/581662059.db2.gz	NWGDRWFGXXMEDL-VHSXEESVSA-N	-1	0	279.296	0.318	20	30		CCEDRM
N#CCCCS(=O)(=O)NCC1CCN(C(=O)[O-])CC1	ZINC000740306634	581662916	/nfs/dbraw/zinc/66/29/16/581662916.db2.gz	HOBLHJQWUPYKMH-UHFFFAOYSA-N	-1	0	289.357	0.600	20	30		CCEDRM
N#C[C@]1(NC(=O)[C@H]2CCN(C(=O)[O-])C2)CCSC1	ZINC000740309140	581663432	/nfs/dbraw/zinc/66/34/32/581663432.db2.gz	DYMFZPDDMWYAEL-GZMMTYOYSA-N	-1	0	269.326	0.502	20	30		CCEDRM
N#C[C@H]1CN(C[C@H]2CCCN(C(=O)[O-])C2)CCO1	ZINC000740308111	581663494	/nfs/dbraw/zinc/66/34/94/581663494.db2.gz	VYIUAVKPODQKKI-MNOVXSKESA-N	-1	0	253.302	0.601	20	30		CCEDRM
N#CC1(C(=O)NCCN(C(=O)[O-])C2CC2)CCC1	ZINC000740310709	581663932	/nfs/dbraw/zinc/66/39/32/581663932.db2.gz	VVBHTACJMJZHID-UHFFFAOYSA-N	-1	0	251.286	0.939	20	30		CCEDRM
N#Cc1ccc([C@H](C(N)=O)N2CC[C@@H](NC(=O)[O-])C2)cc1	ZINC000740313584	581664430	/nfs/dbraw/zinc/66/44/30/581664430.db2.gz	USYIQZLUSBLVNY-VXGBXAGGSA-N	-1	0	288.307	0.427	20	30		CCEDRM
N#Cc1cccc(NC(=O)CN2CC[C@H](NC(=O)[O-])C2)c1	ZINC000740323714	581665678	/nfs/dbraw/zinc/66/56/78/581665678.db2.gz	TVPTXZPXQCEMNC-LBPRGKRZSA-N	-1	0	288.307	0.839	20	30		CCEDRM
COCc1cccc(S(=O)(=O)N(CC#N)CC(=O)[O-])c1	ZINC000737835485	581685020	/nfs/dbraw/zinc/68/50/20/581685020.db2.gz	YKUSTAXWWFQTQS-UHFFFAOYSA-N	-1	0	298.320	0.432	20	30		CCEDRM
C[C@H](C#N)NC(=O)CN(C[C@H]1CCCO1)C(=O)[O-]	ZINC000738605378	581686315	/nfs/dbraw/zinc/68/63/15/581686315.db2.gz	UXEKBRKQFJIKDC-RKDXNWHRSA-N	-1	0	255.274	0.174	20	30		CCEDRM
C=CCNC(=O)[C@@H](C#N)C(=O)CCCN(C)C(=O)[O-]	ZINC000736106359	581697260	/nfs/dbraw/zinc/69/72/60/581697260.db2.gz	BAIOVHBXPDTLAS-VIFPVBQESA-N	-1	0	267.285	0.387	20	30		CCEDRM
CSCCNC(=S)NN=Cc1ccc(C(=O)[O-])[nH]1	ZINC000769599514	581697588	/nfs/dbraw/zinc/69/75/88/581697588.db2.gz	YULPWJNBZCCRAT-UHFFFAOYSA-N	-1	0	286.382	0.874	20	30		CCEDRM
C#Cc1ccc(C(=O)N(CCOC)CC(=O)[O-])nc1	ZINC000736093540	581701297	/nfs/dbraw/zinc/70/12/97/581701297.db2.gz	VJRCJFKWSAAMAF-UHFFFAOYSA-N	-1	0	262.265	0.236	20	30		CCEDRM
C#Cc1cccc(N(C)CC(=O)NCCC(=O)[O-])c1	ZINC000736091420	581701482	/nfs/dbraw/zinc/70/14/82/581701482.db2.gz	RLAXXIOWAAQVPU-UHFFFAOYSA-N	-1	0	260.293	0.695	20	30		CCEDRM
C=CCOCC(=O)NC[C@H](Cc1ccc(O)cc1)C(=O)[O-]	ZINC000736109734	581702739	/nfs/dbraw/zinc/70/27/39/581702739.db2.gz	XNLSNHYULZDTIT-LBPRGKRZSA-N	-1	0	293.319	0.954	20	30		CCEDRM
CC(=O)Nc1ccc(F)c(C(=O)N(CC#N)CC(=O)[O-])c1	ZINC000736159799	581710147	/nfs/dbraw/zinc/71/01/47/581710147.db2.gz	LYYQUWYOVUBPRN-UHFFFAOYSA-N	-1	0	293.254	0.834	20	30		CCEDRM
C[C@@H](C(=O)N1CCC(C(=O)[O-])CC1)N(C)CC#N	ZINC000736198516	581713047	/nfs/dbraw/zinc/71/30/47/581713047.db2.gz	AUJZBCRXMNEODH-VIFPVBQESA-N	-1	0	253.302	0.153	20	30		CCEDRM
C[C@H](C#N)C(=O)Nc1ccc(CC(=O)NCC(=O)[O-])cc1	ZINC000736201556	581714045	/nfs/dbraw/zinc/71/40/45/581714045.db2.gz	IIMYVKSVHWXJNO-SECBINFHSA-N	-1	0	289.291	0.528	20	30		CCEDRM
CC(C)N(CCC#N)C(=O)Cn1[n-]cc2c(=O)ncnc1-2	ZINC000730544625	581720240	/nfs/dbraw/zinc/72/02/40/581720240.db2.gz	WOPXMTNCPOSAER-UHFFFAOYSA-N	-1	0	288.311	0.222	20	30		CCEDRM
COC(=O)c1coc(C=NNc2nnc(C)c(=O)[n-]2)c1	ZINC000758081157	581721025	/nfs/dbraw/zinc/72/10/25/581721025.db2.gz	PAGZETQOZHQJQH-UHFFFAOYSA-N	-1	0	277.240	0.711	20	30		CCEDRM
CNC(=O)C(C#N)=C([O-])c1ccc(N(C)C)c(F)c1	ZINC000770107679	581730463	/nfs/dbraw/zinc/73/04/63/581730463.db2.gz	SSMKJMJYKAOJMC-SECBINFHSA-N	-1	0	263.272	0.960	20	30		CCEDRM
CC(C)(NC(=O)[O-])C(=O)N1CCN(C2CC2)[C@@H](C#N)C1	ZINC000736324182	581740429	/nfs/dbraw/zinc/74/04/29/581740429.db2.gz	CNHSHPSBALEFPP-JTQLQIEISA-N	-1	0	280.328	0.231	20	30		CCEDRM
COc1cc(Cl)cc(C=NNS(C)(=O)=O)c1O	ZINC000758880794	581773370	/nfs/dbraw/zinc/77/33/70/581773370.db2.gz	YMISSIACSPQCRZ-UHFFFAOYSA-N	-1	0	278.717	0.937	20	30		CCEDRM
CC(C)NC(=O)[C@@H](C#N)C(=O)CCSCC(=O)[O-]	ZINC000736477777	581775638	/nfs/dbraw/zinc/77/56/38/581775638.db2.gz	RZSBQAZBXJZWEU-QMMMGPOBSA-N	-1	0	272.326	0.428	20	30		CCEDRM
CCS(=O)(=O)[N-]C(=O)c1ccccc1OCC#N	ZINC000732606472	581837230	/nfs/dbraw/zinc/83/72/30/581837230.db2.gz	HPFVDXDJCOOZSW-UHFFFAOYSA-N	-1	0	268.294	0.668	20	30		CCEDRM
O=C1CN(N=Cc2ccc([O-])c([N+](=O)[O-])c2)C(=O)N1	ZINC000744809972	581852840	/nfs/dbraw/zinc/85/28/40/581852840.db2.gz	GUTKSEOSZAZXQO-UHFFFAOYSA-N	-1	0	264.197	0.186	20	30		CCEDRM
CC[C@](NCC(=O)NCCC#N)(C(=O)[O-])c1ccccc1	ZINC000736916395	581867986	/nfs/dbraw/zinc/86/79/86/581867986.db2.gz	HPBDBPJZAITFGV-OAHLLOKOSA-N	-1	0	289.335	0.996	20	30		CCEDRM
C=CCS(=O)(=O)[N-]C(=O)CCn1cc(Cl)cn1	ZINC000772717914	581886226	/nfs/dbraw/zinc/88/62/26/581886226.db2.gz	VTGFEEUAMJCUSJ-UHFFFAOYSA-N	-1	0	277.733	0.559	20	30		CCEDRM
CCNC(=O)CN(C)[C@@H](C(=O)[O-])c1ccc(C#N)cc1	ZINC000737124237	581910758	/nfs/dbraw/zinc/91/07/58/581910758.db2.gz	IXVOWDKJMIGKDI-CYBMUJFWSA-N	-1	0	275.308	0.752	20	30		CCEDRM
C=CCN(CC(=O)[O-])C(=O)c1ccc([N+](=O)[O-])cn1	ZINC000762048495	581929527	/nfs/dbraw/zinc/92/95/27/581929527.db2.gz	YYZCACDJYJJKLD-UHFFFAOYSA-N	-1	0	265.225	0.703	20	30		CCEDRM
C=CCN(CC(=O)[O-])C(=O)[C@@H](C)OC[C@@H]1CCCO1	ZINC000762067106	581930046	/nfs/dbraw/zinc/93/00/46/581930046.db2.gz	IFCVNFXHFGQHHO-MNOVXSKESA-N	-1	0	271.313	0.670	20	30		CCEDRM
CN(C(=O)COC(=O)[C@H]1C[C@H]1C(=O)[O-])C(C)(C)C#N	ZINC000737322930	581944634	/nfs/dbraw/zinc/94/46/34/581944634.db2.gz	SAOZYZVHBLSLCL-SFYZADRCSA-N	-1	0	268.269	0.011	20	30		CCEDRM
CCOc1nc(C([O-])=C(C#N)C(=O)NCCOC)co1	ZINC000773972927	581950657	/nfs/dbraw/zinc/95/06/57/581950657.db2.gz	APALMJGEXXAOFU-QMMMGPOBSA-N	-1	0	281.268	0.158	20	30		CCEDRM
C#Cc1ccc(C(=O)N2CCC[C@@H](NC(=O)[O-])C2)cn1	ZINC000737496244	581965187	/nfs/dbraw/zinc/96/51/87/581965187.db2.gz	SDGJFEIMIVFKDX-GFCCVEGCSA-N	-1	0	273.292	0.935	20	30		CCEDRM
COCc1cccc(C(=O)N(CC#N)CC(=O)[O-])c1	ZINC000737833975	582002043	/nfs/dbraw/zinc/00/20/43/582002043.db2.gz	GHCRCUIZNXMVEH-UHFFFAOYSA-N	-1	0	262.265	0.883	20	30		CCEDRM
COc1ccc(C=NN[C@@H](C)CO)c(OCC(=O)[O-])c1	ZINC000749815771	582023331	/nfs/dbraw/zinc/02/33/31/582023331.db2.gz	IZQSFEWSHYAOPG-VIFPVBQESA-N	-1	0	282.296	0.463	20	30		CCEDRM
CC#CCCCC(=O)[N-]S(=O)(=O)C[C@H](C)OC	ZINC000764194231	582035332	/nfs/dbraw/zinc/03/53/32/582035332.db2.gz	MZKXDRQYCJGJLQ-JTQLQIEISA-N	-1	0	261.343	0.661	20	30		CCEDRM
N#CCCCCNC(=O)N1CCN(C(=O)[O-])CC1	ZINC000738427828	582048310	/nfs/dbraw/zinc/04/83/10/582048310.db2.gz	GHPOGMWWVYBHJJ-UHFFFAOYSA-N	-1	0	254.290	0.685	20	30		CCEDRM
N#Cc1cc(NC(=O)C(=O)NCCCC(=O)[O-])ccc1F	ZINC000738425519	582048351	/nfs/dbraw/zinc/04/83/51/582048351.db2.gz	NBLPVAOWMLQBLD-UHFFFAOYSA-N	-1	0	293.254	0.617	20	30		CCEDRM
N#Cc1ccc(C(=O)N2CCC(C(=O)[O-])CC2)cn1	ZINC000738429972	582048839	/nfs/dbraw/zinc/04/88/39/582048839.db2.gz	DZOFXLFBVIDNKE-UHFFFAOYSA-N	-1	0	259.265	0.890	20	30		CCEDRM
Cc1cncc(C(=O)[N-]S(=O)(=O)CCCC#N)c1	ZINC000776117456	582052191	/nfs/dbraw/zinc/05/21/91/582052191.db2.gz	QJMAZTGLVBWEME-UHFFFAOYSA-N	-1	0	267.310	0.753	20	30		CCEDRM
CCc1noc(C)c1C(=O)[N-]S(=O)(=O)CCCC#N	ZINC000776123702	582052648	/nfs/dbraw/zinc/05/26/48/582052648.db2.gz	UFTRFVNFNNVUJQ-UHFFFAOYSA-N	-1	0	285.325	0.909	20	30		CCEDRM
COc1ncc(C(=O)[N-]S(=O)(=O)CC(C)(C)C#N)cn1	ZINC000776137132	582053405	/nfs/dbraw/zinc/05/34/05/582053405.db2.gz	CIIITRNNXFGDGX-UHFFFAOYSA-N	-1	0	298.324	0.095	20	30		CCEDRM
C#CCNC(=O)COC(=O)CCC(C)(C)NC(=O)[O-]	ZINC000738463317	582053972	/nfs/dbraw/zinc/05/39/72/582053972.db2.gz	PRTYBYSJYXGIRC-UHFFFAOYSA-N	-1	0	270.285	0.105	20	30		CCEDRM
C#Cc1ccc(C(=O)N[C@H](CNC(=O)[O-])C2CC2)nc1	ZINC000738468528	582054426	/nfs/dbraw/zinc/05/44/26/582054426.db2.gz	XSPUNHSIYORIBB-GFCCVEGCSA-N	-1	0	273.292	0.839	20	30		CCEDRM
C#CCSCCNC(=O)N1CCN(C(=O)[O-])C[C@@H]1C	ZINC000738470944	582054460	/nfs/dbraw/zinc/05/44/60/582054460.db2.gz	UIRREXWHEUOALB-JTQLQIEISA-N	-1	0	285.369	0.747	20	30		CCEDRM
C#Cc1ccc(C(=O)N(C)[C@H](C)CNC(=O)[O-])cn1	ZINC000738471320	582054499	/nfs/dbraw/zinc/05/44/99/582054499.db2.gz	YPEAFKOCDIYBEL-SECBINFHSA-N	-1	0	261.281	0.791	20	30		CCEDRM
C=C(Cl)CNC(=O)NCCN1CCN(C(=O)[O-])CC1	ZINC000738491950	582056131	/nfs/dbraw/zinc/05/61/31/582056131.db2.gz	GTRUKODWNWCCEH-UHFFFAOYSA-N	-1	0	290.751	0.334	20	30		CCEDRM
C=CCNC(=O)COC(=O)[C@@H]1CCC[C@H]1NC(=O)[O-]	ZINC000738496289	582056694	/nfs/dbraw/zinc/05/66/94/582056694.db2.gz	VVCUOYVMXIHLGI-RKDXNWHRSA-N	-1	0	270.285	0.268	20	30		CCEDRM
C=CCSCCNC(=O)[C@@H]1COCCN1C(=O)[O-]	ZINC000738505790	582057114	/nfs/dbraw/zinc/05/71/14/582057114.db2.gz	SQDVXWAPLGSOBD-VIFPVBQESA-N	-1	0	274.342	0.401	20	30		CCEDRM
CS(=O)(=O)NN=Cc1ccc([N+](=O)[O-])c([O-])c1	ZINC000764706903	582063348	/nfs/dbraw/zinc/06/33/48/582063348.db2.gz	GZXJQNRDRSOPOG-UHFFFAOYSA-N	-1	0	259.243	0.184	20	30		CCEDRM
C#C[C@@H](C)NC(=O)c1ccc(-c2nc(=O)o[n-]2)cc1	ZINC000776269819	582066004	/nfs/dbraw/zinc/06/60/04/582066004.db2.gz	NYAXPKBVFXQGCP-MRVPVSSYSA-N	-1	0	257.249	0.781	20	30		CCEDRM
CC(C)(C#N)CS(=O)(=O)[N-]C(=O)[C@@H]1C[C@@]12CCOC2	ZINC000764791454	582068944	/nfs/dbraw/zinc/06/89/44/582068944.db2.gz	VQGWQKOKPRFNHN-JOYOIKCWSA-N	-1	0	286.353	0.409	20	30		CCEDRM
N#CCCCS(=O)(=O)N[C@@H](CC(=O)[O-])C1CC1	ZINC000776573531	582078962	/nfs/dbraw/zinc/07/89/62/582078962.db2.gz	CRXKQSKJQCEFNC-VIFPVBQESA-N	-1	0	260.315	0.463	20	30		CCEDRM
C=CCC[C@@H](NS(=O)(=O)C[C@H](C)C(=O)OC)C(=O)[O-]	ZINC000776588718	582082857	/nfs/dbraw/zinc/08/28/57/582082857.db2.gz	QUGHWVWMHPYPOD-DTWKUNHWSA-N	-1	0	293.341	0.134	20	30		CCEDRM
N#C[C@H](C(=O)CCNC(=O)[O-])C(=O)Nc1ccccc1	ZINC000739076069	582101210	/nfs/dbraw/zinc/10/12/10/582101210.db2.gz	YFZFHZNFSUUQSY-SNVBAGLBSA-N	-1	0	275.264	0.992	20	30		CCEDRM
N#CCN(CC(=O)[O-])C(=O)c1cc(-n2cccn2)ccn1	ZINC000739078289	582101553	/nfs/dbraw/zinc/10/15/53/582101553.db2.gz	DGFINOUGUSICBO-UHFFFAOYSA-N	-1	0	285.263	0.318	20	30		CCEDRM
N#CCN(CC(=O)[O-])C(=O)CCc1nc2ccccc2[nH]1	ZINC000739077332	582101559	/nfs/dbraw/zinc/10/15/59/582101559.db2.gz	LWZSCGBEYXBKHQ-UHFFFAOYSA-N	-1	0	286.291	0.932	20	30		CCEDRM
N#CCN1CCN(C(=O)c2cccc(C(=O)[O-])c2)CC1	ZINC000739086749	582101801	/nfs/dbraw/zinc/10/18/01/582101801.db2.gz	RRSOJHBLHSISSX-UHFFFAOYSA-N	-1	0	273.292	0.666	20	30		CCEDRM
N#CCN(CC(=O)[O-])S(=O)(=O)Cc1cccc(F)c1	ZINC000739085431	582101884	/nfs/dbraw/zinc/10/18/84/582101884.db2.gz	GBTWVNRNBFBDHA-UHFFFAOYSA-N	-1	0	286.284	0.566	20	30		CCEDRM
N#CCN(CC(=O)[O-])S(=O)(=O)c1ccc(F)c(F)c1	ZINC000739087411	582101898	/nfs/dbraw/zinc/10/18/98/582101898.db2.gz	YLSQPOMZUVNVPX-UHFFFAOYSA-N	-1	0	290.247	0.564	20	30		CCEDRM
N#CCN(CC(=O)[O-])S(=O)(=O)C1CCCCC1	ZINC000739087480	582102135	/nfs/dbraw/zinc/10/21/35/582102135.db2.gz	ZQFUJYFYUKLBGW-UHFFFAOYSA-N	-1	0	260.315	0.559	20	30		CCEDRM
N#CCn1cc(NC(=O)CCSCC(=O)[O-])cn1	ZINC000739092663	582102339	/nfs/dbraw/zinc/10/23/39/582102339.db2.gz	HEVPJIPIFGRSIJ-UHFFFAOYSA-N	-1	0	268.298	0.553	20	30		CCEDRM
N#Cc1ccc([C@H](C(=O)[O-])N2CCNC(=O)C2)cc1	ZINC000739104264	582102686	/nfs/dbraw/zinc/10/26/86/582102686.db2.gz	FLNIZQDDSPNJTM-GFCCVEGCSA-N	-1	0	259.265	0.116	20	30		CCEDRM
O=C([O-])Cn1cc(C=NNc2ccc([N+](=O)[O-])cc2)nn1	ZINC000768486991	582107285	/nfs/dbraw/zinc/10/72/85/582107285.db2.gz	SVKSWMWEELBYEU-UHFFFAOYSA-N	-1	0	290.239	0.717	20	30		CCEDRM
Cc1ccnc(N=NCc2cn(CC(=O)[O-])nn2)c1	ZINC000768483748	582107320	/nfs/dbraw/zinc/10/73/20/582107320.db2.gz	CCZGBOFRYYUJFA-UHFFFAOYSA-N	-1	0	260.257	0.512	20	30		CCEDRM
Cc1cccc(CNN=Cc2cn(CC(=O)[O-])nn2)c1	ZINC000768485625	582107345	/nfs/dbraw/zinc/10/73/45/582107345.db2.gz	UEGBIASZLMXYTN-UHFFFAOYSA-N	-1	0	273.296	0.795	20	30		CCEDRM
C#CCCCNC(=O)C(=O)Nc1cc(C(=O)[O-])cs1	ZINC000825605898	612981086	/nfs/dbraw/zinc/98/10/86/612981086.db2.gz	XKXSONSZKIVIEB-UHFFFAOYSA-N	-1	0	280.305	0.914	20	30		CCEDRM
C#CCCCNC(=O)N[C@H](CC1CCOCC1)C(=O)[O-]	ZINC000909027977	612982395	/nfs/dbraw/zinc/98/23/95/612982395.db2.gz	QNSIEIDHVZWCAS-GFCCVEGCSA-N	-1	0	282.340	0.969	20	30		CCEDRM
CC[S@](C)(=O)=NS(=O)(=O)[N-][C@@]1(C#N)CC1(C)C	ZINC000906066129	616022848	/nfs/dbraw/zinc/02/28/48/616022848.db2.gz	GWJLDPBVYVGNEN-ABKXIKBNSA-N	-1	0	279.387	0.631	20	30		CCEDRM
CON=Cc1ccc(C(=O)N(C)CC(=O)[O-])cc1	ZINC000254952989	596899987	/nfs/dbraw/zinc/89/99/87/596899987.db2.gz	LFAAHYQDSQBTKX-UHFFFAOYSA-N	-1	0	250.254	0.824	20	30		CCEDRM
C[C@@](C#N)(CC(=O)[O-])C(=O)Nc1nc2ccccn2n1	ZINC000819865711	597608994	/nfs/dbraw/zinc/60/89/94/597608994.db2.gz	NTPAHMMBMYCLAH-LBPRGKRZSA-N	-1	0	273.252	0.672	20	30		CCEDRM
C[C@@H](OC(=O)[C@](C)(C#N)CC(=O)[O-])C(=O)N(C)C	ZINC000820161255	597613298	/nfs/dbraw/zinc/61/32/98/597613298.db2.gz	NNLKNCIWURKOQG-HQJQHLMTSA-N	-1	0	256.258	0.011	20	30		CCEDRM
Cc1noc(CCCOC(=O)[C@@](C)(C#N)CC(=O)[O-])n1	ZINC000821235282	597613796	/nfs/dbraw/zinc/61/37/96/597613796.db2.gz	DDSWKNFXMCUVKV-GFCCVEGCSA-N	-1	0	281.268	0.858	20	30		CCEDRM
C[C@](C#N)(CC(=O)[O-])C(=O)OCC(=O)NCc1ccco1	ZINC000819866559	597619653	/nfs/dbraw/zinc/61/96/53/597619653.db2.gz	YMJUBQFXNJXYMH-CYBMUJFWSA-N	-1	0	294.263	0.444	20	30		CCEDRM
C[C@](C#N)(CC(=O)[O-])C(=O)NC[C@@H](O)c1ccccc1	ZINC000819834306	597630141	/nfs/dbraw/zinc/63/01/41/597630141.db2.gz	MYJOAACYVAHIDL-BXUZGUMPSA-N	-1	0	276.292	0.841	20	30		CCEDRM
C[C@H]1CN(C(=O)[C@@](C)(C#N)CC(=O)[O-])CCS1	ZINC000820246176	597644385	/nfs/dbraw/zinc/64/43/85/597644385.db2.gz	UWMJOCPNTMVJEJ-GZMMTYOYSA-N	-1	0	256.327	0.955	20	30		CCEDRM
C[C@](C#N)(CC(=O)[O-])C(=O)N1CCN(C2CCC2)CC1	ZINC000819822120	597646748	/nfs/dbraw/zinc/64/67/48/597646748.db2.gz	LVXDFFCWTBUCPH-CQSZACIVSA-N	-1	0	279.340	0.688	20	30		CCEDRM
C[C@](C#N)(CC(=O)[O-])C(=O)NC[C@](C)(O)c1ccco1	ZINC000819832446	597649550	/nfs/dbraw/zinc/64/95/50/597649550.db2.gz	BIXUMJYTCSDQSZ-OLZOCXBDSA-N	-1	0	280.280	0.608	20	30		CCEDRM
C[C@](C#N)(CC(=O)[O-])C(=O)N1CCC(c2nnc[nH]2)CC1	ZINC000819810494	597654121	/nfs/dbraw/zinc/65/41/21/597654121.db2.gz	BRSNKYOGXZFXIS-CYBMUJFWSA-N	-1	0	291.311	0.515	20	30		CCEDRM
Cc1nnc([C@@H](C)NC(=O)[C@@](C)(C#N)CC(=O)[O-])o1	ZINC000821216639	597656450	/nfs/dbraw/zinc/65/64/50/597656450.db2.gz	JVUDFPUYUMOFOF-KSBSHMNSSA-N	-1	0	266.257	0.560	20	30		CCEDRM
C[C@](C#N)(CC(=O)[O-])C(=O)NC[C@H]1CCCn2ccnc21	ZINC000819836046	597658904	/nfs/dbraw/zinc/65/89/04/597658904.db2.gz	ZWOURKBEEGTJNG-QMTHXVAHSA-N	-1	0	290.323	0.881	20	30		CCEDRM
C[C@](C#N)(CC(=O)[O-])C(=O)N1CCC[C@H](CCO)C1	ZINC000819810467	597659440	/nfs/dbraw/zinc/65/94/40/597659440.db2.gz	BKDUOXHQQHQEMY-ZWNOBZJWSA-N	-1	0	268.313	0.612	20	30		CCEDRM
Cc1nc(N(C)C)sc1C=NNCCC(=O)[O-]	ZINC000821176377	597742590	/nfs/dbraw/zinc/74/25/90/597742590.db2.gz	VLLKEPSGIMYRTK-UHFFFAOYSA-N	-1	0	256.331	0.916	20	30		CCEDRM
CNS(=O)(=O)c1cccc(C(C)=NNCCC(=O)[O-])c1	ZINC000820645274	597743243	/nfs/dbraw/zinc/74/32/43/597743243.db2.gz	DBOANEYUWDPTKN-UHFFFAOYSA-N	-1	0	299.352	0.383	20	30		CCEDRM
Cc1nnc(-c2cccc(C#N)c2)n1CC(=O)NCC(=O)[O-]	ZINC000821216839	597757669	/nfs/dbraw/zinc/75/76/69/597757669.db2.gz	PWVWFICCURXUDN-UHFFFAOYSA-N	-1	0	299.290	0.326	20	30		CCEDRM
Cc1cc(NC(=O)N[C@@H](C)C(=O)[O-])nn1CCC#N	ZINC000821023593	598198602	/nfs/dbraw/zinc/19/86/02/598198602.db2.gz	BOJBKEFJVDNOEQ-QMMMGPOBSA-N	-1	0	265.273	0.700	20	30		CCEDRM
C[C@@](C#N)(CC(=O)[O-])C(=O)Nc1ccc(C(N)=O)cc1	ZINC000819846453	598221409	/nfs/dbraw/zinc/22/14/09/598221409.db2.gz	CTVHZLFGXQUUPN-ZDUSSCGKSA-N	-1	0	275.264	0.729	20	30		CCEDRM
C[C@](C#N)(CC(=O)[O-])C(=O)NCCCN1CCCCC1=O	ZINC000819835242	598226938	/nfs/dbraw/zinc/22/69/38/598226938.db2.gz	ULPVHZKSHMBMRE-CQSZACIVSA-N	-1	0	295.339	0.510	20	30		CCEDRM
C[C@@](C#N)(CC(=O)[O-])C(=O)N[C@H]1CCCn2ncnc21	ZINC000819823307	598229629	/nfs/dbraw/zinc/22/96/29/598229629.db2.gz	SPIFWAOZXWHCKF-UFBFGSQYSA-N	-1	0	277.284	0.234	20	30		CCEDRM
C[C@@H](NC(=O)[C@@](C)(C#N)CC(=O)[O-])C(=O)OC(C)(C)C	ZINC000820115541	598230483	/nfs/dbraw/zinc/23/04/83/598230483.db2.gz	XDSCMPUTFHDORN-AMIZOPFISA-N	-1	0	284.312	0.837	20	30		CCEDRM
C#CCONC(=O)Cc1cc(=O)n(CC(C)C)[n-]1	ZINC000825137757	612992438	/nfs/dbraw/zinc/99/24/38/612992438.db2.gz	RLHUBJSAERAMCJ-UHFFFAOYSA-N	-1	0	251.286	0.056	20	30		CCEDRM
C#CCONC(=O)c1ccccc1[N-]S(C)(=O)=O	ZINC000812782806	612993498	/nfs/dbraw/zinc/99/34/98/612993498.db2.gz	JPFRIZMJOCAJRX-UHFFFAOYSA-N	-1	0	268.294	0.353	20	30		CCEDRM
C#CCO[C@@H](C)C(=O)[N-]S(=O)(=O)C1(Cl)CC1	ZINC000893234758	612996718	/nfs/dbraw/zinc/99/67/18/612996718.db2.gz	KEXMFANGTZZMBG-ZETCQYMHSA-N	-1	0	265.718	0.200	20	30		CCEDRM
C#CC(C)(C)NC(=O)C[C@H]1CSCCN1C(=O)[O-]	ZINC000823441165	612945871	/nfs/dbraw/zinc/94/58/71/612945871.db2.gz	WJKYBQNVNFBKEY-VIFPVBQESA-N	-1	0	270.354	1.000	20	30		CCEDRM
C[C@@H](OC(=O)CNC(=O)c1ccc(C#N)cc1)C(=O)[O-]	ZINC000736693014	599998444	/nfs/dbraw/zinc/99/84/44/599998444.db2.gz	MHLALTHHRLXPRZ-MRVPVSSYSA-N	-1	0	276.248	0.304	20	30		CCEDRM
C#CCNC(=O)NC[C@@H]1[C@H](C)OC(C)(C)N1C(=O)[O-]	ZINC000823455203	612946947	/nfs/dbraw/zinc/94/69/47/612946947.db2.gz	ASNMGLASBWHXEE-DTWKUNHWSA-N	-1	0	269.301	0.422	20	30		CCEDRM
C#CCNC(=O)NC[C@@](C)(C(=O)[O-])c1ccccc1	ZINC000844267650	612946948	/nfs/dbraw/zinc/94/69/48/612946948.db2.gz	ILVMTLVKLFSZDE-CQSZACIVSA-N	-1	0	260.293	0.961	20	30		CCEDRM
C[C@@H](C#N)CNS(=O)(=O)Cc1cccc(C(=O)[O-])c1	ZINC000054156517	600989647	/nfs/dbraw/zinc/98/96/47/600989647.db2.gz	HJQDPBCNVVWRHP-VIFPVBQESA-N	-1	0	282.321	0.964	20	30		CCEDRM
N#CCN(CC(=O)[O-])Cc1ccc(C(N)=O)cc1[N+](=O)[O-]	ZINC000833067590	601003696	/nfs/dbraw/zinc/00/36/96/601003696.db2.gz	WCBRBEVJCPMYCC-UHFFFAOYSA-N	-1	0	292.251	0.104	20	30		CCEDRM
CN(CCS(=O)(=O)c1ccc(C#N)cc1)CC(=O)[O-]	ZINC000163333667	601219454	/nfs/dbraw/zinc/21/94/54/601219454.db2.gz	VJAFUHQZDKBIOC-UHFFFAOYSA-N	-1	0	282.321	0.348	20	30		CCEDRM
N#CCN(CC(=O)[O-])Cc1nnnn1Cc1ccccc1	ZINC000833066977	601226389	/nfs/dbraw/zinc/22/63/89/601226389.db2.gz	MTAARXWGIPFGCC-UHFFFAOYSA-N	-1	0	286.295	0.132	20	30		CCEDRM
Cn1cc(C#N)cc1C(=O)N1CCSC[C@H]1CC(=O)[O-]	ZINC000833040534	601268490	/nfs/dbraw/zinc/26/84/90/601268490.db2.gz	LYQRLHNRZMAMDM-SNVBAGLBSA-N	-1	0	293.348	0.929	20	30		CCEDRM
C[C@H](OC(=O)c1ccc(C#N)s1)C(=O)NCC(=O)[O-]	ZINC000827853485	601468974	/nfs/dbraw/zinc/46/89/74/601468974.db2.gz	LDQADOVSSOWHQE-LURJTMIESA-N	-1	0	282.277	0.366	20	30		CCEDRM
Cn1cc(C#N)c(NC(=O)N[C@H](CC(=O)[O-])C2CC2)n1	ZINC000833040638	601628588	/nfs/dbraw/zinc/62/85/88/601628588.db2.gz	ONEPTZNURYIPRF-SECBINFHSA-N	-1	0	277.284	0.667	20	30		CCEDRM
C=CC1CCN(S(=O)(=O)C[C@H](C)C(=O)[O-])CC1	ZINC000825659916	601789272	/nfs/dbraw/zinc/78/92/72/601789272.db2.gz	LEJDBUWJFZSSKU-VIFPVBQESA-N	-1	0	261.343	0.935	20	30		CCEDRM
C[C@@H](CC(=O)[O-])C(=O)O[C@H](C(N)=O)c1ccc(C#N)cc1	ZINC000827325092	602279546	/nfs/dbraw/zinc/27/95/46/602279546.db2.gz	OYAIKFRAQOJWEW-UFBFGSQYSA-N	-1	0	290.275	0.739	20	30		CCEDRM
C[C@H](CC(=O)[O-])C(=O)OCC(=O)N(C)C(C)(C)C#N	ZINC000827333924	602280659	/nfs/dbraw/zinc/28/06/59/602280659.db2.gz	QHLYTXVOWFCYHD-MRVPVSSYSA-N	-1	0	270.285	0.401	20	30		CCEDRM
C#CCNC(=O)[C@H](C)[N@@H+](C)CC[C@@H](NC(=O)[O-])C(C)C	ZINC000823456172	612949634	/nfs/dbraw/zinc/94/96/34/612949634.db2.gz	LEYFFNADAHLESO-NWDGAFQWSA-N	-1	0	283.372	0.738	20	30		CCEDRM
C#CCSCCNC(=O)[C@H]1CC[C@H](NC(=O)[O-])C1	ZINC000823466808	613017902	/nfs/dbraw/zinc/01/79/02/613017902.db2.gz	JBURSUSMCBSLQP-UWVGGRQHSA-N	-1	0	270.354	0.905	20	30		CCEDRM
O=C(C#Cc1ccc2c(c1)OCO2)N[C@H](C(=O)[O-])C1CC1	ZINC000833092096	602391819	/nfs/dbraw/zinc/39/18/19/602391819.db2.gz	OJIAWYPJWRMRFU-AWEZNQCLSA-N	-1	0	287.271	0.746	20	30		CCEDRM
COc1cc(C=NNCCC(=O)[O-])cc([N+](=O)[O-])c1[O-]	ZINC000820763826	617179363	/nfs/dbraw/zinc/17/93/63/617179363.db2.gz	FURVFRZEDUNVCE-UHFFFAOYSA-N	-1	0	283.240	0.707	20	30		CCEDRM
C#CCNC(=O)[C@H](C)OC(=O)[C@@H]1CC[C@H](NC(=O)[O-])C1	ZINC000823455607	612950965	/nfs/dbraw/zinc/95/09/65/612950965.db2.gz	FICWTCVIYKORRC-AEJSXWLSSA-N	-1	0	282.296	0.104	20	30		CCEDRM
N#CCCn1ccc(NC(=O)N[C@@H]2CCN(C(=O)[O-])C2)n1	ZINC000831097777	603335794	/nfs/dbraw/zinc/33/57/94/603335794.db2.gz	TVPPLERTIQEZRJ-SECBINFHSA-N	-1	0	292.299	0.671	20	30		CCEDRM
C#CCNC(=O)[C@H](C)OC(=O)[C@@H]1CC[C@@H](NC(=O)[O-])C1	ZINC000823455610	612951050	/nfs/dbraw/zinc/95/10/50/612951050.db2.gz	FICWTCVIYKORRC-IVZWLZJFSA-N	-1	0	282.296	0.104	20	30		CCEDRM
C[C@@H](CC(=O)NCCNc1ncccc1C#N)NC(=O)[O-]	ZINC000824647841	603406674	/nfs/dbraw/zinc/40/66/74/603406674.db2.gz	YSVDHVSIYQMKNB-VIFPVBQESA-N	-1	0	291.311	0.528	20	30		CCEDRM
N#C[C@H]1CN(C(=O)[O-])CCN1C(=O)c1ccc([N+](=O)[O-])o1	ZINC000831087026	603591562	/nfs/dbraw/zinc/59/15/62/603591562.db2.gz	INEKXDXBQCJFHF-ZETCQYMHSA-N	-1	0	294.223	0.516	20	30		CCEDRM
N#C[C@@H]1CN(C(=O)[O-])CCN1C(=O)CCc1ccco1	ZINC000831082464	603593462	/nfs/dbraw/zinc/59/34/62/603593462.db2.gz	MFZXBNOVEWKGSD-SNVBAGLBSA-N	-1	0	277.280	0.927	20	30		CCEDRM
Cc1ncsc1C(=O)N1CCN(C(=O)[O-])C[C@@H]1C#N	ZINC000830829139	603594144	/nfs/dbraw/zinc/59/41/44/603594144.db2.gz	HEAJRCNDYOTWPQ-QMMMGPOBSA-N	-1	0	280.309	0.780	20	30		CCEDRM
Cc1cc(C(=O)N2CCN(C(=O)[O-])C[C@H]2C#N)nn1C	ZINC000829930196	603601694	/nfs/dbraw/zinc/60/16/94/603601694.db2.gz	KTHVRHIADNWRLH-SECBINFHSA-N	-1	0	277.284	0.057	20	30		CCEDRM
NC(=O)c1ccc(N=NC2CCN(C(=O)[O-])CC2)nn1	ZINC000831233714	603604132	/nfs/dbraw/zinc/60/41/32/603604132.db2.gz	IHUUVLARQQZQGA-UHFFFAOYSA-N	-1	0	278.272	0.117	20	30		CCEDRM
NC(=O)c1ccc(N=NC2CCC[C@@H]2CNC(=O)[O-])nn1	ZINC000831233921	603604647	/nfs/dbraw/zinc/60/46/47/603604647.db2.gz	KLUVNYYOYSAVJX-SSDOTTSWSA-N	-1	0	292.299	0.411	20	30		CCEDRM
Cc1nc(CN2CCN(C(=O)[O-])C[C@H]2C#N)oc1C	ZINC000830750667	603725154	/nfs/dbraw/zinc/72/51/54/603725154.db2.gz	FBZJJLUKYNOXDA-SNVBAGLBSA-N	-1	0	264.285	0.979	20	30		CCEDRM
C[C@H](C#N)CN(C)C(=O)[C@@]1(F)CCN(C(=O)[O-])C1	ZINC000823646643	603841207	/nfs/dbraw/zinc/84/12/07/603841207.db2.gz	DHUCJCWJGUQACS-LDYMZIIASA-N	-1	0	257.265	0.696	20	30		CCEDRM
C[C@H](C#N)OC(=O)CN(C[C@H]1CCCO1)C(=O)[O-]	ZINC000823647749	603915596	/nfs/dbraw/zinc/91/55/96/603915596.db2.gz	NHILDGKSSVONMN-RKDXNWHRSA-N	-1	0	256.258	0.601	20	30		CCEDRM
C[C@@H]1CN(C(=O)c2cc(C#N)c[nH]2)CCN1C(=O)[O-]	ZINC000826033623	603918906	/nfs/dbraw/zinc/91/89/06/603918906.db2.gz	AFOBPIGWVBJNBM-MRVPVSSYSA-N	-1	0	262.269	0.711	20	30		CCEDRM
CC(C)N(CCC(=O)N1CCOC[C@H]1C#N)C(=O)[O-]	ZINC000824335450	603923322	/nfs/dbraw/zinc/92/33/22/603923322.db2.gz	CALDGDREZPUQLM-SNVBAGLBSA-N	-1	0	269.301	0.516	20	30		CCEDRM
N#CC1(NC(=O)[C@@H]2CC[C@H](NC(=O)[O-])C2)CCC1	ZINC000831071012	603960446	/nfs/dbraw/zinc/96/04/46/603960446.db2.gz	WVIKEZYTZIEMLH-BDAKNGLRSA-N	-1	0	251.286	0.985	20	30		CCEDRM
N#CCCN(CCC#N)C(=O)[C@]1(F)CCN(C(=O)[O-])C1	ZINC000831097931	603985806	/nfs/dbraw/zinc/98/58/06/603985806.db2.gz	ZAJOOBZSDKWSBC-LBPRGKRZSA-N	-1	0	282.275	0.734	20	30		CCEDRM
C[C@](C#N)(NC(=O)CN1CCC[C@H]1CNC(=O)[O-])C1CC1	ZINC000823648764	604068956	/nfs/dbraw/zinc/06/89/56/604068956.db2.gz	WTSVAVDRDAQBQW-SMDDNHRTSA-N	-1	0	294.355	0.527	20	30		CCEDRM
N#C[C@@H]1CN(C(=O)[O-])CCN1C(=O)[C@@H]1CCCOC1	ZINC000831076456	604071231	/nfs/dbraw/zinc/07/12/31/604071231.db2.gz	MTYPSRIPWBITDS-NXEZZACHSA-N	-1	0	267.285	0.127	20	30		CCEDRM
N#C[C@H]1CN(C(=O)[O-])CCN1C(=O)CCn1cccc1	ZINC000831082576	604071519	/nfs/dbraw/zinc/07/15/19/604071519.db2.gz	OCHODCNNRXACDT-NSHDSACASA-N	-1	0	276.296	0.593	20	30		CCEDRM
N#C[C@@H]1CN(C(=O)[O-])CCN1C(=O)CC(F)(F)F	ZINC000831077120	604078426	/nfs/dbraw/zinc/07/84/26/604078426.db2.gz	WJNKCUOTIHREJP-ZCFIWIBFSA-N	-1	0	265.191	0.653	20	30		CCEDRM
N#C[C@H]1CN(C(=O)[O-])CCN1C(=O)c1ccc(F)nc1	ZINC000831087533	604082633	/nfs/dbraw/zinc/08/26/33/604082633.db2.gz	MTXLCECBPPYQSY-VIFPVBQESA-N	-1	0	278.243	0.549	20	30		CCEDRM
C[C@@H](CN(C)C(=O)[O-])C(=O)[C@@H](C#N)C(=O)NC1CCCC1	ZINC000824825072	604252753	/nfs/dbraw/zinc/25/27/53/604252753.db2.gz	PZOHTFMWEQYWRY-GXSJLCMTSA-N	-1	0	295.339	1.000	20	30		CCEDRM
C[C@@H](NC(=O)[O-])[C@H]1CN(c2nccnc2C#N)CCO1	ZINC000825372746	604452097	/nfs/dbraw/zinc/45/20/97/604452097.db2.gz	QZIKZQOXCOIURT-PSASIEDQSA-N	-1	0	277.284	0.210	20	30		CCEDRM
C#CC[C@@H](NC(=O)CCOC[C@@H]1CCCO1)C(=O)[O-]	ZINC000910052728	613039815	/nfs/dbraw/zinc/03/98/15/613039815.db2.gz	HMGNLZPMXLUNMF-WDEREUQCSA-N	-1	0	269.297	0.165	20	30		CCEDRM
C[C@H](NC(=O)[O-])[C@@H]1CN(C[C@H](C#N)CCC#N)CCO1	ZINC000825351871	604636219	/nfs/dbraw/zinc/63/62/19/604636219.db2.gz	QDYIZHUPFSQGOG-SRVKXCTJSA-N	-1	0	280.328	0.787	20	30		CCEDRM
C[C@H](Oc1cccc(CO)c1)C(=O)N(CC#N)CC(=O)[O-]	ZINC000833539145	604663271	/nfs/dbraw/zinc/66/32/71/604663271.db2.gz	LAFGZCHIFCYONS-JTQLQIEISA-N	-1	0	292.291	0.383	20	30		CCEDRM
N#CCN(CC(=O)[O-])C(=O)COc1ccccc1O	ZINC000833066469	604711218	/nfs/dbraw/zinc/71/12/18/604711218.db2.gz	ZTGLFOPNPCJZHT-UHFFFAOYSA-N	-1	0	264.237	0.208	20	30		CCEDRM
C[C@@H]1CCC[C@](C#N)(NC(=O)[C@H]2CN(C(=O)[O-])CCO2)C1	ZINC000825880090	604924330	/nfs/dbraw/zinc/92/43/30/604924330.db2.gz	HBVFSNSTMIDGMU-GYSYKLTISA-N	-1	0	295.339	0.954	20	30		CCEDRM
O=C(C#Cc1ccc2c(c1)OCO2)NC1CN(C(=O)[O-])C1	ZINC000831265248	604948470	/nfs/dbraw/zinc/94/84/70/604948470.db2.gz	DXWGEXMRNCWYAB-UHFFFAOYSA-N	-1	0	288.259	0.245	20	30		CCEDRM
C#CCCCCC(=O)N[C@@H](Cc1c[nH]cn1)C(=O)[O-]	ZINC000236446381	605032722	/nfs/dbraw/zinc/03/27/22/605032722.db2.gz	GIERMYMCFLAFQX-NSHDSACASA-N	-1	0	263.297	0.715	20	30		CCEDRM
CC(C)c1cc(C(=O)N(CC#N)CC(=O)[O-])no1	ZINC000833508572	605039885	/nfs/dbraw/zinc/03/98/85/605039885.db2.gz	MVWOZBBZSYIDKB-UHFFFAOYSA-N	-1	0	251.242	0.848	20	30		CCEDRM
N#CC1(C(=O)OC[C@@H]2CCCN2C(=O)[O-])CCOCC1	ZINC000831070868	605199573	/nfs/dbraw/zinc/19/95/73/605199573.db2.gz	UDJVFQHDLKJGLZ-JTQLQIEISA-N	-1	0	282.296	0.992	20	30		CCEDRM
N#CC1(C(=O)OC[C@H]2CCN(C(=O)[O-])C2)CCOCC1	ZINC000831070998	605199890	/nfs/dbraw/zinc/19/98/90/605199890.db2.gz	WPOMOSMZYQSYEK-JTQLQIEISA-N	-1	0	282.296	0.850	20	30		CCEDRM
C=CCOc1ccc(C(=O)N[C@@H](CO)C(=O)[O-])cc1OC	ZINC000833378195	605279561	/nfs/dbraw/zinc/27/95/61/605279561.db2.gz	ZHLNLCAYQJYOGX-JTQLQIEISA-N	-1	0	295.291	0.435	20	30		CCEDRM
C[C@H](C(=O)[O-])n1cccc1C=NN1CCCNC1=O	ZINC000833406872	605287385	/nfs/dbraw/zinc/28/73/85/605287385.db2.gz	KPIKXKSVAZUMFX-SECBINFHSA-N	-1	0	264.285	0.883	20	30		CCEDRM
N#CCCCNC(=O)N[C@H](CNC(=O)[O-])C1CC1	ZINC000833969191	605394024	/nfs/dbraw/zinc/39/40/24/605394024.db2.gz	SRQKFRCWHONSGX-SECBINFHSA-N	-1	0	254.290	0.636	20	30		CCEDRM
N#CCCCNS(=O)(=O)c1ccc(CC(=O)[O-])cc1	ZINC000054137492	605405944	/nfs/dbraw/zinc/40/59/44/605405944.db2.gz	RNQAHHUYMFTGBD-UHFFFAOYSA-N	-1	0	282.321	0.896	20	30		CCEDRM
N#CCCCCS(=O)(=O)NC[C@@H]1CCN(C(=O)[O-])C1	ZINC000833969788	605424869	/nfs/dbraw/zinc/42/48/69/605424869.db2.gz	XJKMFYSYBBMRIS-JTQLQIEISA-N	-1	0	289.357	0.600	20	30		CCEDRM
N#CCN1CCN(C(=O)CC[C@@H]2CCCN2C(=O)[O-])CC1	ZINC000833968148	605476236	/nfs/dbraw/zinc/47/62/36/605476236.db2.gz	XRRHVTXEKVSFBQ-LBPRGKRZSA-N	-1	0	294.355	0.577	20	30		CCEDRM
N#C[C@@H]1COCCN1C(=O)CC[C@@H]1CCN(C(=O)[O-])C1	ZINC000833966459	605481852	/nfs/dbraw/zinc/48/18/52/605481852.db2.gz	LCJKWASNOCPNIU-GHMZBOCLSA-N	-1	0	281.312	0.517	20	30		CCEDRM
CC1CC(C#N)(C(=O)N2CC(n3cc(C(=O)[O-])nn3)C2)C1	ZINC000833593672	605541642	/nfs/dbraw/zinc/54/16/42/605541642.db2.gz	UGCZKXCYBYTNKS-UHFFFAOYSA-N	-1	0	289.295	0.299	20	30		CCEDRM
C[C@@H](CC#N)NC(=O)C[C@@H]1CSCCN1C(=O)[O-]	ZINC000824544142	605636515	/nfs/dbraw/zinc/63/65/15/605636515.db2.gz	NBHKHLIBHZIGON-DTWKUNHWSA-N	-1	0	271.342	0.890	20	30		CCEDRM
N#C[C@@H]1CN(C(=O)[O-])C[C@@H]1NCC1(O)CCCC1	ZINC000833968972	605674364	/nfs/dbraw/zinc/67/43/64/605674364.db2.gz	YTYUINLQKHPMFH-ZJUUUORDSA-N	-1	0	253.302	0.383	20	30		CCEDRM
N#C[C@@H]1CN(C(=O)[O-])C[C@H]1NC[C@@H](O)C(F)(F)F	ZINC000833966313	605685425	/nfs/dbraw/zinc/68/54/25/605685425.db2.gz	KAPZJTUPKSJMCS-FSDSQADBSA-N	-1	0	267.207	0.001	20	30		CCEDRM
Cc1onc(CC(=O)NC[C@H](NC(=O)[O-])C(C)C)c1C#N	ZINC000833935434	605697702	/nfs/dbraw/zinc/69/77/02/605697702.db2.gz	GSXQAATWSAFPCF-NSHDSACASA-N	-1	0	294.311	0.806	20	30		CCEDRM
N#Cc1ncn(CC(=O)Nc2ccccc2NC(=O)[O-])n1	ZINC000831162112	605698439	/nfs/dbraw/zinc/69/84/39/605698439.db2.gz	WMSTUMMPFUETTP-UHFFFAOYSA-N	-1	0	286.251	0.878	20	30		CCEDRM
C#CCCNC(=O)[C@@H]1CC12CCN(C(=O)[O-])CC2	ZINC000833787365	613047839	/nfs/dbraw/zinc/04/78/39/613047839.db2.gz	MNZHVBPTDQEQIA-JTQLQIEISA-N	-1	0	250.298	0.906	20	30		CCEDRM
Cn1ccnc(N=NC2CCC[C@@H]2NC(=O)[O-])c1=O	ZINC000833952711	605860059	/nfs/dbraw/zinc/86/00/59/605860059.db2.gz	PEXYPOCEEJVXRU-ZETCQYMHSA-N	-1	0	265.273	0.368	20	30		CCEDRM
N#Cc1ccc(C(=O)NC[C@H](NC(=O)[O-])C2CC2)cn1	ZINC000833973367	605860576	/nfs/dbraw/zinc/86/05/76/605860576.db2.gz	OCHFTYKUXQTKSF-NSHDSACASA-N	-1	0	274.280	0.729	20	30		CCEDRM
N#CCC1CCN(C(=O)C[C@@H]2CN(C(=O)[O-])CCO2)CC1	ZINC000833969116	605932563	/nfs/dbraw/zinc/93/25/63/605932563.db2.gz	QZXGCQSBZRJCBR-GFCCVEGCSA-N	-1	0	295.339	0.908	20	30		CCEDRM
N#C[C@@H]1CN(C(=O)[O-])CCN1C(=O)[C@@H](O)c1ccccc1	ZINC000831076691	605966175	/nfs/dbraw/zinc/96/61/75/605966175.db2.gz	RBFFGOPNMNEHML-NEPJUHHUSA-N	-1	0	289.291	0.434	20	30		CCEDRM
N#C[C@@H]1CN(C(=O)CN(C(=O)[O-])C2CC2)CCN1C1CC1	ZINC000833965786	605966984	/nfs/dbraw/zinc/96/69/84/605966984.db2.gz	DTKQRHXDFJZSTH-GFCCVEGCSA-N	-1	0	292.339	0.328	20	30		CCEDRM
N#C[C@H]1CSCCN1C(=O)C[C@@H]1CCCN1C(=O)[O-]	ZINC000833967444	605978487	/nfs/dbraw/zinc/97/84/87/605978487.db2.gz	RBECERNSYCPSTD-UWVGGRQHSA-N	-1	0	283.353	0.986	20	30		CCEDRM
N#CC1(NC(=O)c2cnc(NC(=O)[O-])cn2)CCOCC1	ZINC000833962962	606036134	/nfs/dbraw/zinc/03/61/34/606036134.db2.gz	CSNBEKQLECBCQJ-UHFFFAOYSA-N	-1	0	291.267	0.369	20	30		CCEDRM
N#C[C@H](NC(=O)[C@@H](CC(F)F)NC(=O)[O-])C1CC1	ZINC000833960166	606043500	/nfs/dbraw/zinc/04/35/00/606043500.db2.gz	GNGGXQCYXMPJOU-RQJHMYQMSA-N	-1	0	261.228	0.696	20	30		CCEDRM
O=C([O-])N1CCC[C@H](C=NNC(=S)NC2CC2)C1	ZINC000834101384	606048153	/nfs/dbraw/zinc/04/81/53/606048153.db2.gz	XQTRGBQAIYTMQC-MRVPVSSYSA-N	-1	0	270.358	0.989	20	30		CCEDRM
CC(C)(C#N)CCCn1c(N)nc(-c2nnn[n-]2)c1C#N	ZINC000819892152	606170235	/nfs/dbraw/zinc/17/02/35/606170235.db2.gz	WSPNCODVWKSKDX-UHFFFAOYSA-N	-1	0	285.315	0.847	20	30		CCEDRM
C#CCCS(=O)(=O)[N-]C(=O)c1c(C)nn(CCC)c1C	ZINC000810781812	613053334	/nfs/dbraw/zinc/05/33/34/613053334.db2.gz	VGKODMOWGASDRK-UHFFFAOYSA-N	-1	0	297.380	0.993	20	30		CCEDRM
C#CCCS(=O)(=O)[N-]C(=O)c1ccc(OC)o1	ZINC000847698825	613053642	/nfs/dbraw/zinc/05/36/42/613053642.db2.gz	IBPKRZIPDJLJDT-UHFFFAOYSA-N	-1	0	257.267	0.371	20	30		CCEDRM
C#CCCS(=O)(=O)[N-]C(=O)c1cncc(C)c1	ZINC000810780539	613053747	/nfs/dbraw/zinc/05/37/47/613053747.db2.gz	HCAYWVDUCYBLQA-UHFFFAOYSA-N	-1	0	252.295	0.473	20	30		CCEDRM
C#CCCS(=O)(=O)[N-]C(=O)C[C@H](C)n1cccc1	ZINC000810780403	613053008	/nfs/dbraw/zinc/05/30/08/613053008.db2.gz	BMZILKXKYAPSGT-NSHDSACASA-N	-1	0	268.338	0.909	20	30		CCEDRM
N#Cc1c(-c2nnn[n-]2)nc(N)n1CCCCCCO	ZINC000822815579	607237835	/nfs/dbraw/zinc/23/78/35/607237835.db2.gz	UANQTZUBNCBGHQ-UHFFFAOYSA-N	-1	0	276.304	0.070	20	30		CCEDRM
C#CC[C@H](NC(=O)CCc1ccnc(C)n1)C(=O)[O-]	ZINC000910050672	613067818	/nfs/dbraw/zinc/06/78/18/613067818.db2.gz	NFIGFZLYSLIPGV-NSHDSACASA-N	-1	0	261.281	0.310	20	30		CCEDRM
C#CC[C@H](NC(=O)c1cc(C2CC2)nn1C)C(=O)[O-]	ZINC000907719853	613069891	/nfs/dbraw/zinc/06/98/91/613069891.db2.gz	VEKHSRXNGWYBDA-VIFPVBQESA-N	-1	0	261.281	0.504	20	30		CCEDRM
C#CCNS(=O)(=O)c1cccc(F)c1C(=O)[O-]	ZINC000833364252	612957062	/nfs/dbraw/zinc/95/70/62/612957062.db2.gz	MWHLXXWGZGTROY-UHFFFAOYSA-N	-1	0	257.242	0.435	20	30		CCEDRM
CS(C)(=O)=NS(=O)(=O)[N-][C@@H](CC#N)C(F)(F)F	ZINC000901772474	617198458	/nfs/dbraw/zinc/19/84/58/617198458.db2.gz	TWAXKJXMOWQUNS-YFKPBYRVSA-N	-1	0	293.292	0.393	20	30		CCEDRM
C#CCN(CC(=O)[O-])S(=O)(=O)c1cc(C)oc1C	ZINC000849219369	613103555	/nfs/dbraw/zinc/10/35/55/613103555.db2.gz	RMDUABCMAALIDG-UHFFFAOYSA-N	-1	0	271.294	0.605	20	30		CCEDRM
C#CC1(O)CN(C(=O)c2cccc(Cl)c2[O-])C1	ZINC000890523077	612959361	/nfs/dbraw/zinc/95/93/61/612959361.db2.gz	UDZPQIDTFQEOJT-UHFFFAOYSA-N	-1	0	251.669	0.866	20	30		CCEDRM
COc1cc(OC)c(OC)cc1C=NNCC(=O)[O-]	ZINC000814958472	617210873	/nfs/dbraw/zinc/21/08/73/617210873.db2.gz	WFFQXSGXBICOMH-UHFFFAOYSA-N	-1	0	268.269	0.721	20	30		CCEDRM
CC(C)(C)C[C@H](O)CNC(=O)[C@](C)(C#N)CC(=O)[O-]	ZINC000819908862	613922070	/nfs/dbraw/zinc/92/20/70/613922070.db2.gz	VHJFFVJXSICIQC-ZANVPECISA-N	-1	0	270.329	0.904	20	30		CCEDRM
CC(C)(C)[S@](C)(=O)=NS(=O)(=O)[N-]C1(C#N)CC1	ZINC000906059844	614046121	/nfs/dbraw/zinc/04/61/21/614046121.db2.gz	AFHAZEUHBMOIGN-INIZCTEOSA-N	-1	0	279.387	0.773	20	30		CCEDRM
CC(C)[C@@H](C#N)NC(=O)C[C@H]1CN(C(=O)[O-])CCO1	ZINC000824055318	614072157	/nfs/dbraw/zinc/07/21/57/614072157.db2.gz	GDGGXSMAXIVMLM-VHSXEESVSA-N	-1	0	269.301	0.420	20	30		CCEDRM
C[C@@H](C(=O)N1CCN(C(=O)[O-])C[C@H]1C#N)c1cnn(C)c1	ZINC000823668981	617304451	/nfs/dbraw/zinc/30/44/51/617304451.db2.gz	JZGLBIRRKVMSKZ-MWLCHTKSSA-N	-1	0	291.311	0.238	20	30		CCEDRM
C#CCNC(=O)N1CC[C@H]2CC[C@@H](C1)N2C(=O)[O-]	ZINC000823456677	612946652	/nfs/dbraw/zinc/94/66/52/612946652.db2.gz	OYVBMNSTIOBEMO-ZJUUUORDSA-N	-1	0	251.286	0.546	20	30		CCEDRM
C#CCCCCNC(=O)CCCn1c(=O)[n-][nH]c1=O	ZINC000906971334	612977123	/nfs/dbraw/zinc/97/71/23/612977123.db2.gz	JVVNYRMXMNLMCM-UHFFFAOYSA-N	-1	0	266.301	0.389	20	30		CCEDRM
C#CCCCCNC(=O)C(=O)N1C[C@H](C)C[C@H](C(=O)[O-])C1	ZINC000817891691	612977217	/nfs/dbraw/zinc/97/72/17/612977217.db2.gz	NJZRPKTUQYHIQZ-NEPJUHHUSA-N	-1	0	294.351	0.475	20	30		CCEDRM
C#CCCCCNC(=O)[C@H](O)c1ccc(-c2nn[nH]n2)cc1	ZINC000823841177	612978167	/nfs/dbraw/zinc/97/81/67/612978167.db2.gz	JVXPSYIDVQGEPT-CYBMUJFWSA-N	-1	0	299.334	0.820	20	30		CCEDRM
C#CCOCCC(=O)N1CCSC[C@H]1CC(=O)[O-]	ZINC000833363836	612978447	/nfs/dbraw/zinc/97/84/47/612978447.db2.gz	BQINQIOYEDUZQW-SNVBAGLBSA-N	-1	0	271.338	0.445	20	30		CCEDRM
C#CCOCCC(=O)N[C@@H](C(=O)[O-])c1ccc(OC)cc1	ZINC000833364075	612980220	/nfs/dbraw/zinc/98/02/20/612980220.db2.gz	ISQDSIYTRGBWDS-CQSZACIVSA-N	-1	0	291.303	0.977	20	30		CCEDRM
C#CCOCCC(=O)N[C@H]1CCCN(C(=O)[O-])C1	ZINC000833364504	612980888	/nfs/dbraw/zinc/98/08/88/612980888.db2.gz	STKVHJUAMWVTBZ-JTQLQIEISA-N	-1	0	254.286	0.285	20	30		CCEDRM
C#CCOCCC(=O)Nc1ncc(C(=O)[O-])s1	ZINC000833364826	612981488	/nfs/dbraw/zinc/98/14/88/612981488.db2.gz	XLWGJETVIGSHGO-UHFFFAOYSA-N	-1	0	254.267	0.820	20	30		CCEDRM
C#CCCCNC(=O)N[C@H](C(=O)[O-])[C@@H]1CCCOC1	ZINC000909027472	612982271	/nfs/dbraw/zinc/98/22/71/612982271.db2.gz	KXTJPHPKDSTTTA-MNOVXSKESA-N	-1	0	268.313	0.579	20	30		CCEDRM
C#CCOCCNC(=O)C(=O)Nc1ccc(C(=O)[O-])cc1	ZINC000833366106	612985246	/nfs/dbraw/zinc/98/52/46/612985246.db2.gz	GNLQOEDOZWWVMB-UHFFFAOYSA-N	-1	0	290.275	0.089	20	30		CCEDRM
C#CCO[N-]C(=O)C(C)(C)n1cc([N+](=O)[O-])cn1	ZINC000855603349	612991755	/nfs/dbraw/zinc/99/17/55/612991755.db2.gz	MQUVXIZWOMLQKD-UHFFFAOYSA-N	-1	0	252.230	0.207	20	30		CCEDRM
C#CCO[N-]C(=O)C(C)(C)NC(=O)COC(C)(C)C	ZINC000846652892	612991916	/nfs/dbraw/zinc/99/19/16/612991916.db2.gz	JLSBAELXJHNSKL-UHFFFAOYSA-N	-1	0	270.329	0.377	20	30		CCEDRM
C#CCO[N-]C(=O)CN1C(=O)NC2(CCC(C)CC2)C1=O	ZINC000812786040	612992165	/nfs/dbraw/zinc/99/21/65/612992165.db2.gz	ZASICKHVXZYPQM-UHFFFAOYSA-N	-1	0	293.323	0.168	20	30		CCEDRM
C#CCO[N-]C(=O)[C@@H](C(CC)CC)N1CCOCC1	ZINC000812783489	612992431	/nfs/dbraw/zinc/99/24/31/612992431.db2.gz	RIYGYALIIMVSTM-CYBMUJFWSA-N	-1	0	268.357	0.804	20	30		CCEDRM
C#CCO[N-]C(=O)[C@@H](C)S(=O)(=O)c1ccc(F)cc1	ZINC000812782780	612992501	/nfs/dbraw/zinc/99/25/01/612992501.db2.gz	IQYRUJNXBHSVRV-SECBINFHSA-N	-1	0	285.296	0.669	20	30		CCEDRM
C#CCO[N-]C(=O)[C@H](C(CC)CC)N1CCOCC1	ZINC000812783490	612993112	/nfs/dbraw/zinc/99/31/12/612993112.db2.gz	RIYGYALIIMVSTM-ZDUSSCGKSA-N	-1	0	268.357	0.804	20	30		CCEDRM
C#CCO[N-]C(=O)c1cccn(CC(F)(F)F)c1=O	ZINC000912449737	612993444	/nfs/dbraw/zinc/99/34/44/612993444.db2.gz	BNWYKSXUCMUCLD-UHFFFAOYSA-N	-1	0	274.198	0.705	20	30		CCEDRM
C#CCO[N-]C(=O)c1cnc2[nH]c(C)ccc-2c1=O	ZINC000812782852	612993644	/nfs/dbraw/zinc/99/36/44/612993644.db2.gz	LSYFQIYEGIVLFY-UHFFFAOYSA-N	-1	0	257.249	0.938	20	30		CCEDRM
C#CCO[C@@H](C)C(=O)N1CCC(CC(=O)[O-])CC1	ZINC000908682204	612994254	/nfs/dbraw/zinc/99/42/54/612994254.db2.gz	VVBLECYCCRRMQO-JTQLQIEISA-N	-1	0	253.298	0.738	20	30		CCEDRM
C#CCO[C@@H](C)C(=O)N1CCC[C@](COC)(C(=O)[O-])C1	ZINC000909714878	612994648	/nfs/dbraw/zinc/99/46/48/612994648.db2.gz	YLHCBBAMIKRDFW-FZMZJTMJSA-N	-1	0	283.324	0.365	20	30		CCEDRM
C#CCO[C@@H](C)C(=O)NCCc1ncc(C(=O)[O-])s1	ZINC000910999715	612996057	/nfs/dbraw/zinc/99/60/57/612996057.db2.gz	BETPHRQZIFMBEC-QMMMGPOBSA-N	-1	0	282.321	0.538	20	30		CCEDRM
C#CCO[C@@H](C)C(=O)[N-]S(=O)(=O)C1CCCC1	ZINC000835214881	612996736	/nfs/dbraw/zinc/99/67/36/612996736.db2.gz	VGHGZNQLCKCJAJ-VIFPVBQESA-N	-1	0	259.327	0.413	20	30		CCEDRM
C#CCOc1ccc(CN2CCO[C@H](C(=O)[O-])C2)cc1	ZINC000819706274	613005832	/nfs/dbraw/zinc/00/58/32/613005832.db2.gz	SKDMCEGZJBMGLG-AWEZNQCLSA-N	-1	0	275.304	0.984	20	30		CCEDRM
C#CCSCC(=O)N1CCSC[C@@H]1c1nnn[n-]1	ZINC000907473040	613010960	/nfs/dbraw/zinc/01/09/60/613010960.db2.gz	BKMASYHZPTZZSX-MRVPVSSYSA-N	-1	0	283.382	0.183	20	30		CCEDRM
C#CC[C@@H](CCOC)NC(=O)C(=O)[N-]OC1CCCCC1	ZINC000875596865	613019173	/nfs/dbraw/zinc/01/91/73/613019173.db2.gz	UTSFPCYIOZLJIH-LBPRGKRZSA-N	-1	0	296.367	0.912	20	30		CCEDRM
C#CC[C@@H](CO)NC(=O)c1cc(C)c(C(=O)[O-])o1	ZINC000911394854	613028631	/nfs/dbraw/zinc/02/86/31/613028631.db2.gz	FVVZMSOBJPGGEI-QMMMGPOBSA-N	-1	0	251.238	0.400	20	30		CCEDRM
C#CC[C@@H](COC)NS(=O)(=O)c1cc([O-])cc(F)c1	ZINC000867568074	613038459	/nfs/dbraw/zinc/03/84/59/613038459.db2.gz	FFKBPRQTWPKHOO-JTQLQIEISA-N	-1	0	287.312	0.848	20	30		CCEDRM
C#CC[C@@H](NC(=O)CCC1CCOCC1)C(=O)[O-]	ZINC000910054252	613039393	/nfs/dbraw/zinc/03/93/93/613039393.db2.gz	KTQNLUCFOUFZEF-LLVKDONJSA-N	-1	0	253.298	0.786	20	30		CCEDRM
C#CC[C@@H](NC(=O)CCCC(=O)N(CC)CC)C(=O)[O-]	ZINC000910053967	613039395	/nfs/dbraw/zinc/03/93/95/613039395.db2.gz	GHCAFKSDMYCQDV-LLVKDONJSA-N	-1	0	282.340	0.618	20	30		CCEDRM
C#CC[C@@H](NC(=O)C[C@@H](O)c1cccc(F)c1)C(=O)[O-]	ZINC000910054002	613040129	/nfs/dbraw/zinc/04/01/29/613040129.db2.gz	HBGZFYYSFJMHHE-VXGBXAGGSA-N	-1	0	279.267	0.842	20	30		CCEDRM
C#CC[C@@H](NC(=O)Cc1cnn2c1CCCC2)C(=O)[O-]	ZINC000910050627	613040320	/nfs/dbraw/zinc/04/03/20/613040320.db2.gz	MDTGMIXWMSWKRZ-LLVKDONJSA-N	-1	0	275.308	0.355	20	30		CCEDRM
C#CC[C@@H](NC(=O)Cc1ccn(C(C)C)n1)C(=O)[O-]	ZINC000910054558	613040350	/nfs/dbraw/zinc/04/03/50/613040350.db2.gz	PZNHAEDWVJDAJQ-LLVKDONJSA-N	-1	0	263.297	0.599	20	30		CCEDRM
C#CC[C@@H](NC(=O)[C@@H](C)Oc1ccccn1)C(=O)[O-]	ZINC000910051457	613040592	/nfs/dbraw/zinc/04/05/92/613040592.db2.gz	VPOOLHZUBXAGQM-NXEZZACHSA-N	-1	0	262.265	0.442	20	30		CCEDRM
C#CC[C@@H](NC(=O)[C@@H]1Cc2cc(F)ccc2O1)C(=O)[O-]	ZINC000910055140	613041086	/nfs/dbraw/zinc/04/10/86/613041086.db2.gz	YGGMGCVVLYSMTN-PWSUYJOCSA-N	-1	0	277.251	0.722	20	30		CCEDRM
C#CC[C@@H](NC(=O)[C@H]1CCCN(C(=O)CCC)C1)C(=O)[O-]	ZINC000910052714	613041225	/nfs/dbraw/zinc/04/12/25/613041225.db2.gz	HDCVSXWEBJESAO-NWDGAFQWSA-N	-1	0	294.351	0.618	20	30		CCEDRM
C#CC[C@@H](NC(=O)c1ccc2c(n1)OCCO2)C(=O)[O-]	ZINC000910045745	613041912	/nfs/dbraw/zinc/04/19/12/613041912.db2.gz	GFNRIERANIYJTB-SECBINFHSA-N	-1	0	276.248	0.059	20	30		CCEDRM
C#CC[C@@H](NC(=O)c1cncc(OC)c1C)C(=O)[O-]	ZINC000910050387	613042231	/nfs/dbraw/zinc/04/22/31/613042231.db2.gz	JHHKPPHDLPMJIP-SNVBAGLBSA-N	-1	0	262.265	0.605	20	30		CCEDRM
C#CCCNC(=O)N1CC[C@H]([C@@H](C)NC(=O)[O-])C1	ZINC000833787585	613047168	/nfs/dbraw/zinc/04/71/68/613047168.db2.gz	UTZRIEDTJXYKDQ-ZJUUUORDSA-N	-1	0	253.302	0.697	20	30		CCEDRM
C#CCCS(=O)(=O)[N-]C(=O)CCCc1cccnc1	ZINC000850999290	613052728	/nfs/dbraw/zinc/05/27/28/613052728.db2.gz	AYKPLZACGHJEIL-UHFFFAOYSA-N	-1	0	280.349	0.874	20	30		CCEDRM
C#CCCS(=O)(=O)[N-]C(=O)CCNC(=O)C(C)(C)C	ZINC000798202429	613052751	/nfs/dbraw/zinc/05/27/51/613052751.db2.gz	DIDRTAKXAXZOHV-UHFFFAOYSA-N	-1	0	288.369	0.008	20	30		CCEDRM
C#CCCS(=O)(=O)[N-]C(=O)[C@@H]1CC(=O)c2ccccc21	ZINC000810780782	613053167	/nfs/dbraw/zinc/05/31/67/613053167.db2.gz	QUKAMTWCRVUDSD-GFCCVEGCSA-N	-1	0	291.328	0.826	20	30		CCEDRM
C#CCCS(=O)(=O)[N-]C(=O)[C@H]1C[C@@]1(C)Br	ZINC000860722343	613053310	/nfs/dbraw/zinc/05/33/10/613053310.db2.gz	WQDJIBCAAZZUGI-VXNVDRBHSA-N	-1	0	294.170	0.629	20	30		CCEDRM
C#CCN(C(=O)C(=O)Nc1cccnc1C(=O)[O-])C1CC1	ZINC000850788306	613065139	/nfs/dbraw/zinc/06/51/39/613065139.db2.gz	UATPHEBPJKUZJL-UHFFFAOYSA-N	-1	0	287.275	0.343	20	30		CCEDRM
C#CCN(C(=O)Cc1cc(=O)n(CC(C)C)[n-]1)C1CC1	ZINC000935404352	613066508	/nfs/dbraw/zinc/06/65/08/613066508.db2.gz	NNYCZNTWSHMNDW-UHFFFAOYSA-N	-1	0	275.352	0.999	20	30		CCEDRM
C#CC[C@H](NC(=O)CCCC(=O)NC(C)C)C(=O)[O-]	ZINC000910054401	613067605	/nfs/dbraw/zinc/06/76/05/613067605.db2.gz	NBSMLKDJZSDIIG-JTQLQIEISA-N	-1	0	268.313	0.274	20	30		CCEDRM
C#CC[C@H](NC(=O)CCc1c(C)n[nH]c1C)C(=O)[O-]	ZINC000910051918	613067722	/nfs/dbraw/zinc/06/77/22/613067722.db2.gz	ITWCIRGNKMTUAQ-NSHDSACASA-N	-1	0	263.297	0.552	20	30		CCEDRM
C#CC[C@H](NC(=O)[C@H]1C[C@@H](C)Cc2c[nH]nc21)C(=O)[O-]	ZINC000910050907	613069689	/nfs/dbraw/zinc/06/96/89/613069689.db2.gz	PTWRBCLDAMCUKH-LSJOCFKGSA-N	-1	0	275.308	0.668	20	30		CCEDRM
C#CC[C@H](NC(=O)c1c2c(nn1C)CCCC2)C(=O)[O-]	ZINC000910047906	613069917	/nfs/dbraw/zinc/06/99/17/613069917.db2.gz	AAVIXYHWPQVTKY-NSHDSACASA-N	-1	0	275.308	0.505	20	30		CCEDRM
C#CC[C@H](NC(=O)c1ccc(CO)cc1OC)C(=O)[O-]	ZINC000910050530	613070106	/nfs/dbraw/zinc/07/01/06/613070106.db2.gz	KHODMDVJCLPRFO-NSHDSACASA-N	-1	0	277.276	0.394	20	30		CCEDRM
C#CC[C@H](NC(=O)c1cn(C)nc1C1CC1)C(=O)[O-]	ZINC000910050218	613070354	/nfs/dbraw/zinc/07/03/54/613070354.db2.gz	HEXDHXSVFNYIMK-JTQLQIEISA-N	-1	0	261.281	0.504	20	30		CCEDRM
C#CCn1ccc(CN(CC)C(=O)NC[C@H](C)C(=O)[O-])n1	ZINC000848588788	613078351	/nfs/dbraw/zinc/07/83/51/613078351.db2.gz	YYXWVZMQKPVKMG-NSHDSACASA-N	-1	0	292.339	0.769	20	30		CCEDRM
C#CCn1ccc(CN(CC)C(=O)C2(C(=O)[O-])CC2)n1	ZINC000911718282	613078399	/nfs/dbraw/zinc/07/83/99/613078399.db2.gz	HKZXTWVRZQHGJQ-UHFFFAOYSA-N	-1	0	275.308	0.730	20	30		CCEDRM
C#CCN(CC#C)C(=O)C[C@H]1CSCCN1C(=O)[O-]	ZINC000823451597	613098602	/nfs/dbraw/zinc/09/86/02/613098602.db2.gz	YURYYMFAOFKUBK-NSHDSACASA-N	-1	0	280.349	0.567	20	30		CCEDRM
C#CCN(CC#C)C(=O)c1cccc(OCC(=O)[O-])c1	ZINC000825608480	613098852	/nfs/dbraw/zinc/09/88/52/613098852.db2.gz	ABILWTMMGSIQOX-UHFFFAOYSA-N	-1	0	271.272	0.859	20	30		CCEDRM
C#CCN(CC(=O)[O-])S(=O)(=O)[C@@H]1C[C@H]1c1ccccc1	ZINC000849219628	613103618	/nfs/dbraw/zinc/10/36/18/613103618.db2.gz	RQKSBERSQXRSNQ-QWHCGFSZSA-N	-1	0	293.344	0.892	20	30		CCEDRM
C#CCN(CC)S(=O)(=O)c1cccc(CC(=O)[O-])c1	ZINC000871829636	613107240	/nfs/dbraw/zinc/10/72/40/613107240.db2.gz	NQNYKLTUZYAYMG-UHFFFAOYSA-N	-1	0	281.333	0.958	20	30		CCEDRM
C#C[C@@H]1COCCN1C(=O)c1cccc(-c2nc(=O)o[n-]2)c1	ZINC000854917420	613111022	/nfs/dbraw/zinc/11/10/22/613111022.db2.gz	OSAJUKRMUVTAFS-GFCCVEGCSA-N	-1	0	299.286	0.504	20	30		CCEDRM
C#C[C@H](C)NC(=O)N1CCC[C@H](c2n[nH]c(=O)[n-]2)C1	ZINC000923218664	613115945	/nfs/dbraw/zinc/11/59/45/613115945.db2.gz	WONWVUHJVHCZQR-IUCAKERBSA-N	-1	0	263.301	0.421	20	30		CCEDRM
C#C[C@H](C)NS(=O)(=O)N=[S@@](C)(=O)c1ccccc1	ZINC000867198211	613119046	/nfs/dbraw/zinc/11/90/46/613119046.db2.gz	HHFDKSKPEHEGKS-BTDLBPIBSA-N	-1	0	286.378	0.999	20	30		CCEDRM
C#C[C@H](CC)[N-]S(=O)(=O)c1ncccc1[N+](=O)[O-]	ZINC000849390312	613122011	/nfs/dbraw/zinc/12/20/11/613122011.db2.gz	ZVDCMSZMHLKXDF-MRVPVSSYSA-N	-1	0	269.282	0.680	20	30		CCEDRM
C#C[C@H](CO)NC(=O)CCc1ccccc1C(=O)[O-]	ZINC000911612086	613125043	/nfs/dbraw/zinc/12/50/43/613125043.db2.gz	QVUYONKSRAIHAS-LLVKDONJSA-N	-1	0	261.277	0.428	20	30		CCEDRM
C#C[C@H](NC(=O)N[C@H]1C[C@@H](C(=O)[O-])C1)[C@H]1CCCO1	ZINC000874399297	613143795	/nfs/dbraw/zinc/14/37/95/613143795.db2.gz	VESYVDRNJMZPRU-ZRUFSTJUSA-N	-1	0	266.297	0.330	20	30		CCEDRM
C#C[C@H](NC(=O)c1cc(=O)n(C)[n-]1)C1CCOCC1	ZINC000856120601	613148783	/nfs/dbraw/zinc/14/87/83/613148783.db2.gz	YXUIHSOOECZPOU-JTQLQIEISA-N	-1	0	263.297	0.284	20	30		CCEDRM
C#C[C@H](NC(=O)c1cncc(C(=O)[O-])c1)[C@@H]1CCCO1	ZINC000911579759	613149697	/nfs/dbraw/zinc/14/96/97/613149697.db2.gz	PMVFFQRKJYECEG-RYUDHWBXSA-N	-1	0	274.276	0.690	20	30		CCEDRM
C#C[C@H]1COCCN1C(=O)Cc1cc(=O)n(CC(C)C)[n-]1	ZINC000822484555	613160173	/nfs/dbraw/zinc/16/01/73/613160173.db2.gz	UJRAZDAFUBNXRG-ZDUSSCGKSA-N	-1	0	291.351	0.236	20	30		CCEDRM
C#CCN1CCC[C@H](NC(=O)C(F)(F)F)[C@H]1C(=O)[O-]	ZINC000852732537	613180640	/nfs/dbraw/zinc/18/06/40/613180640.db2.gz	DJTFCMYBZTXBFD-YUMQZZPRSA-N	-1	0	278.230	0.216	20	30		CCEDRM
C#CCN1CCC[C@H]1C(=O)N1CC[C@@](F)(C(=O)[O-])C1	ZINC000825620308	613196618	/nfs/dbraw/zinc/19/66/18/613196618.db2.gz	ZUVRAFCVDSFKMF-GWCFXTLKSA-N	-1	0	268.288	0.109	20	30		CCEDRM
C#CCN1CCC[C@H]1C(=O)N[C@@H]1CCC[C@]1(C)C(=O)[O-]	ZINC000909998526	613201352	/nfs/dbraw/zinc/20/13/52/613201352.db2.gz	GIZKPDBWFISNMS-ZOWXZIJZSA-N	-1	0	278.352	0.844	20	30		CCEDRM
C#Cc1cccc(NC(=O)CN(C)CCNC(=O)[O-])c1	ZINC000823473768	613203826	/nfs/dbraw/zinc/20/38/26/613203826.db2.gz	HGMNSHNDYQWYAE-UHFFFAOYSA-N	-1	0	275.308	0.806	20	30		CCEDRM
C#CCN1CCN(C(=O)/C=C/c2cc(C(=O)[O-])co2)CC1	ZINC000911150149	613204211	/nfs/dbraw/zinc/20/42/11/613204211.db2.gz	FFMWTIDZRCBZRD-ONEGZZNKSA-N	-1	0	288.303	0.768	20	30		CCEDRM
C#Cc1cccc(NC(=O)N2CCO[C@@H](C(=O)[O-])C2)c1	ZINC000043705687	613204316	/nfs/dbraw/zinc/20/43/16/613204316.db2.gz	YHLKGBWXMBOXRT-GFCCVEGCSA-N	-1	0	274.276	0.985	20	30		CCEDRM
C#Cc1ccccc1CC(=O)[N-]S(=O)(=O)N1CCCC1	ZINC000810546881	613206829	/nfs/dbraw/zinc/20/68/29/613206829.db2.gz	IIQPEENAIVPWHV-UHFFFAOYSA-N	-1	0	292.360	0.667	20	30		CCEDRM
C#Cc1ccccc1CC(=O)[N-]S(=O)(=O)C[C@@H](C)OC	ZINC000810722640	613206858	/nfs/dbraw/zinc/20/68/58/613206858.db2.gz	RGJLLVBPQOQHAX-LLVKDONJSA-N	-1	0	295.360	0.691	20	30		CCEDRM
C#Cc1cncc(C(=O)N2CCO[C@](C)(C(=O)[O-])C2)c1	ZINC000910328411	613214258	/nfs/dbraw/zinc/21/42/58/613214258.db2.gz	NTYSVGYVJZXUTG-AWEZNQCLSA-N	-1	0	274.276	0.379	20	30		CCEDRM
C#Cc1cncc(C(=O)N[C@@H](C[C@@H]2CCCO2)C(=O)[O-])c1	ZINC000910592968	613219347	/nfs/dbraw/zinc/21/93/47/613219347.db2.gz	QAIKAZKXARHJOA-STQMWFEESA-N	-1	0	288.303	0.815	20	30		CCEDRM
C=C(C)C(C)(C)C(=O)[N-]S(=O)(=O)C[C@H](COC)OC	ZINC000853209280	613244543	/nfs/dbraw/zinc/24/45/43/613244543.db2.gz	LSXDAQWIWHPPRR-JTQLQIEISA-N	-1	0	293.385	0.696	20	30		CCEDRM
C#CCNC(=O)COc1cccc(CNC(=O)[O-])c1	ZINC000823456702	613333706	/nfs/dbraw/zinc/33/37/06/613333706.db2.gz	PLTDZOFARBTINB-UHFFFAOYSA-N	-1	0	262.265	0.582	20	30		CCEDRM
C=C(C)CO[N-]C(=O)C(=O)Nc1ccn(CC)n1	ZINC000850476162	613352336	/nfs/dbraw/zinc/35/23/36/613352336.db2.gz	INWNRFBKGZUVAU-UHFFFAOYSA-N	-1	0	252.274	0.465	20	30		CCEDRM
C=C(C)CO[N-]C(=O)CN(C)C(=O)[C@@H](C)n1cccn1	ZINC000846538794	613352541	/nfs/dbraw/zinc/35/25/41/613352541.db2.gz	UWKSYKLXDDSMJC-LLVKDONJSA-N	-1	0	280.328	0.526	20	30		CCEDRM
C=C(C)C[C@@H](NC(=O)Cc1cncn1C)C(=O)[O-]	ZINC000910291482	613355821	/nfs/dbraw/zinc/35/58/21/613355821.db2.gz	IYGSRMRGSYMLQH-SNVBAGLBSA-N	-1	0	251.286	0.498	20	30		CCEDRM
C=C(C)C[C@@H](NS(=O)(=O)N(C)C(C)C)C(=O)[O-]	ZINC000864449878	613356865	/nfs/dbraw/zinc/35/68/65/613356865.db2.gz	WYKQLUXVYWXPPU-SECBINFHSA-N	-1	0	264.347	0.580	20	30		CCEDRM
C=C(C)C[C@H](CO)NS(=O)(=O)c1ccc(F)nc1F	ZINC000882846594	613358560	/nfs/dbraw/zinc/35/85/60/613358560.db2.gz	PFLPJKBQUUJCGD-MRVPVSSYSA-N	-1	0	292.307	0.965	20	30		CCEDRM
C=C(C)C[C@H](NS(=O)(=O)CCOCC)C(=O)[O-]	ZINC000864452942	613359797	/nfs/dbraw/zinc/35/97/97/613359797.db2.gz	UQICVQBEMCTTMK-VIFPVBQESA-N	-1	0	265.331	0.362	20	30		CCEDRM
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1C[C@H]2[C@H](C(=O)[O-])[C@H]2C1	ZINC000910801543	613361253	/nfs/dbraw/zinc/36/12/53/613361253.db2.gz	IXFCSVQAJUFMLC-HGCLJGPKSA-N	-1	0	265.309	0.757	20	30		CCEDRM
C=C(C)[C@H]1OCC[C@H]1CNC(=O)[C@@H]1C[C@H]1C(=O)[O-]	ZINC000907737089	613363142	/nfs/dbraw/zinc/36/31/42/613363142.db2.gz	NDZKZBLLIOKUEW-LNFKQOIKSA-N	-1	0	253.298	0.805	20	30		CCEDRM
C=C(Cl)C[C@@H](NC(=O)CCn1ccnn1)C(=O)[O-]	ZINC000910270044	613388418	/nfs/dbraw/zinc/38/84/18/613388418.db2.gz	GRHYBVUNXDPORJ-MRVPVSSYSA-N	-1	0	272.692	0.380	20	30		CCEDRM
C=C(Cl)C[C@@H](NC(=O)CCn1cccn1)C(=O)[O-]	ZINC000864190339	613388460	/nfs/dbraw/zinc/38/84/60/613388460.db2.gz	ZTGSCTIWUDEGBT-SECBINFHSA-N	-1	0	271.704	0.985	20	30		CCEDRM
C=C(Cl)C[C@@H](NC(=O)[C@H](COC)OC)C(=O)[O-]	ZINC000864186495	613388595	/nfs/dbraw/zinc/38/85/95/613388595.db2.gz	QURFFTGWAGWQRZ-SFYZADRCSA-N	-1	0	265.693	0.360	20	30		CCEDRM
C=C(Cl)C[C@@H](NC(=O)c1cnn(C)c1)C(=O)[O-]	ZINC000864185631	613388658	/nfs/dbraw/zinc/38/86/58/613388658.db2.gz	YCEHATBZYSFWBA-MRVPVSSYSA-N	-1	0	257.677	0.746	20	30		CCEDRM
C=C(Cl)C[C@@H](NC(=O)c1cnc(N(C)C)cn1)C(=O)[O-]	ZINC000910270018	613388661	/nfs/dbraw/zinc/38/86/61/613388661.db2.gz	GCNCNHUPXADLKP-MRVPVSSYSA-N	-1	0	298.730	0.868	20	30		CCEDRM
C=C(Cl)C[C@H](NC(=O)Cc1c[nH]cn1)C(=O)[O-]	ZINC000910264363	613390698	/nfs/dbraw/zinc/39/06/98/613390698.db2.gz	CDLILVBCVOHDRO-QMMMGPOBSA-N	-1	0	257.677	0.664	20	30		CCEDRM
C=CC[C@H](CO)CNC(=O)N[C@H]1C[C@@H](C(=O)[O-])C1	ZINC000874415561	613415078	/nfs/dbraw/zinc/41/50/78/613415078.db2.gz	PBLSRUGSHHTZKL-LPEHRKFASA-N	-1	0	256.302	0.333	20	30		CCEDRM
C=CCn1cc(C(=O)N2CC[C@@](COC)(C(=O)[O-])C2)nn1	ZINC000844155030	613426872	/nfs/dbraw/zinc/42/68/72/613426872.db2.gz	FRCACVBDBCEIMX-CYBMUJFWSA-N	-1	0	294.311	0.027	20	30		CCEDRM
C=CCn1cc(C(=O)N[C@H](CC(=O)[O-])C2CC2)nn1	ZINC000844156335	613430556	/nfs/dbraw/zinc/43/05/56/613430556.db2.gz	MKKULEZAEOWWDZ-SECBINFHSA-N	-1	0	264.285	0.447	20	30		CCEDRM
C=C[C@@H](C)NC(=O)CN(C[C@H]1CCCO1)C(=O)[O-]	ZINC000823491591	613442110	/nfs/dbraw/zinc/44/21/10/613442110.db2.gz	XYVCKYWXNSKMLA-NXEZZACHSA-N	-1	0	256.302	0.836	20	30		CCEDRM
C=CC(C)(C)CC(=O)[N-]S(=O)(=O)CCOCCOC	ZINC000892864664	613446084	/nfs/dbraw/zinc/44/60/84/613446084.db2.gz	YLUPMBUERRRHAZ-UHFFFAOYSA-N	-1	0	293.385	0.698	20	30		CCEDRM
C=C[C@@H](CCC(=O)[O-])NS(=O)(=O)[C@@H]1CCOC1	ZINC000871741762	613448920	/nfs/dbraw/zinc/44/89/20/613448920.db2.gz	DJKZUDKHOIPAAS-DTWKUNHWSA-N	-1	0	263.315	0.114	20	30		CCEDRM
C=CC1(S(=O)(=O)[N-]C(=O)Cc2cnn(CC)c2)CC1	ZINC000870836368	613450848	/nfs/dbraw/zinc/45/08/48/613450848.db2.gz	ZQZOUOUBYZREFA-UHFFFAOYSA-N	-1	0	283.353	0.610	20	30		CCEDRM
C=CC1(S(=O)(=O)[N-]C(=O)CO[C@H](C)CC)CC1	ZINC000870834222	613450857	/nfs/dbraw/zinc/45/08/57/613450857.db2.gz	SAKJTUMHVLTOFX-SECBINFHSA-N	-1	0	261.343	0.966	20	30		CCEDRM
C=CC1(S(=O)(=O)[N-]C(=O)[C@@H]2C[C@H](C)O[C@@H]2C)CC1	ZINC000870839889	613451263	/nfs/dbraw/zinc/45/12/63/613451263.db2.gz	ZRDLVPQKQTUCIP-IVZWLZJFSA-N	-1	0	273.354	0.965	20	30		CCEDRM
C=C[C@@H](O)C(=O)N1Cc2ccccc2C[C@H]1C(=O)[O-]	ZINC000908895592	613451335	/nfs/dbraw/zinc/45/13/35/613451335.db2.gz	GTQINZZHQUJALR-NWDGAFQWSA-N	-1	0	261.277	0.571	20	30		CCEDRM
C=C[C@@H](O)C(=O)NCc1c(C)nc2cc(=O)[nH]n2c1C	ZINC000827708326	613452126	/nfs/dbraw/zinc/45/21/26/613452126.db2.gz	XNNUYSUWBNKDLY-SNVBAGLBSA-N	-1	0	276.296	0.215	20	30		CCEDRM
C=CC1(S(=O)(=O)[N-]C(=O)c2cn(C3CCC3)nn2)CC1	ZINC000870838910	613452223	/nfs/dbraw/zinc/45/22/23/613452223.db2.gz	QXFQBAHSGPRUHL-UHFFFAOYSA-N	-1	0	296.352	0.781	20	30		CCEDRM
C=CCC1(S(=O)(=O)[N-]C(=O)[C@H]2CCC(=O)O2)CC1	ZINC000870368722	613461426	/nfs/dbraw/zinc/46/14/26/613461426.db2.gz	HCOSWJBXMMNHFK-MRVPVSSYSA-N	-1	0	273.310	0.247	20	30		CCEDRM
C=CCC1(S(=O)(=O)[N-]C(=O)[C@H](C)NC(C)=O)CC1	ZINC000810988771	613461472	/nfs/dbraw/zinc/46/14/72/613461472.db2.gz	QJPWOIQYQJFSSN-QMMMGPOBSA-N	-1	0	274.342	0.066	20	30		CCEDRM
C=CCCC(=O)[N-]S(=O)(=O)C[C@H]1CCCOC1	ZINC000803004810	613462494	/nfs/dbraw/zinc/46/24/94/613462494.db2.gz	KXFNPYQDDGLICD-JTQLQIEISA-N	-1	0	261.343	0.825	20	30		CCEDRM
C=CCCC(=O)N1CCO[C@@H]([C@H](C)NC(=O)[O-])C1	ZINC000823490925	613462508	/nfs/dbraw/zinc/46/25/08/613462508.db2.gz	NVPVFQQYORSBRU-VHSXEESVSA-N	-1	0	256.302	0.836	20	30		CCEDRM
C=C[C@@H]1OCC[C@H]1CNC(=O)N[C@H](CCOC)C(=O)[O-]	ZINC000909238641	613469857	/nfs/dbraw/zinc/46/98/57/613469857.db2.gz	RLLYTDHYVVCLIH-AXFHLTTASA-N	-1	0	286.328	0.366	20	30		CCEDRM
C=CCCC[C@@H](NC(=O)Cc1cnn(C)c1)C(=O)[O-]	ZINC000910921585	613470541	/nfs/dbraw/zinc/47/05/41/613470541.db2.gz	CMISMOJCYFTWDR-LLVKDONJSA-N	-1	0	265.313	0.888	20	30		CCEDRM
C=CCCC[C@@H](NC(=O)[C@@H]1COCCO1)C(=O)[O-]	ZINC000910915168	613471015	/nfs/dbraw/zinc/47/10/15/613471015.db2.gz	VYLIHAXFURPQIT-ZJUUUORDSA-N	-1	0	257.286	0.328	20	30		CCEDRM
C=CCCC[C@@H](NC(=O)c1cnn(C)c1)C(=O)[O-]	ZINC000910917865	613471374	/nfs/dbraw/zinc/47/13/74/613471374.db2.gz	DUSIRLLZTGACDM-SNVBAGLBSA-N	-1	0	251.286	0.959	20	30		CCEDRM
C=CCCC[C@H](NC(=O)Cn1cccn1)C(=O)[O-]	ZINC000910916262	613473485	/nfs/dbraw/zinc/47/34/85/613473485.db2.gz	UNPLHUINADBSGY-JTQLQIEISA-N	-1	0	251.286	0.809	20	30		CCEDRM
C=CCCC[C@H](NC(=O)[C@]1(C)C[C@@H](O)CN1C)C(=O)[O-]	ZINC000910927476	613474100	/nfs/dbraw/zinc/47/41/00/613474100.db2.gz	ZNTHZBVNYXXHHD-SUNKGSAMSA-N	-1	0	284.356	0.367	20	30		CCEDRM
C=CCCC[C@H](NC(=O)c1cn(C)nn1)C(=O)[O-]	ZINC000910922914	613474190	/nfs/dbraw/zinc/47/41/90/613474190.db2.gz	OTWFXDTZFJNWRH-QMMMGPOBSA-N	-1	0	252.274	0.354	20	30		CCEDRM
C=C[C@@](C)(O)C(=O)N1CCSC[C@@H](C(=O)[O-])C1	ZINC000910149973	613477840	/nfs/dbraw/zinc/47/78/40/613477840.db2.gz	OYKDXLXCUGDRQX-GZMMTYOYSA-N	-1	0	259.327	0.200	20	30		CCEDRM
C=C[C@@](C)(O)C(=O)N1C[C@@H](C(=O)[O-])[C@H](C2CC2)C1	ZINC000909903925	613477911	/nfs/dbraw/zinc/47/79/11/613477911.db2.gz	AKPXDLRDTWVCMK-OPQQBVKSSA-N	-1	0	253.298	0.493	20	30		CCEDRM
C=C[C@H](C)NC(=O)C(=O)Nc1ccccc1CC(=O)[O-]	ZINC000817681120	613482473	/nfs/dbraw/zinc/48/24/73/613482473.db2.gz	WPEZMOQURRQKSM-VIFPVBQESA-N	-1	0	276.292	0.943	20	30		CCEDRM
C=C[C@H](C)NC(=O)CO[C@H]1CCCN(C(=O)[O-])C1	ZINC000823490516	613482598	/nfs/dbraw/zinc/48/25/98/613482598.db2.gz	FHAALJWFLBEEEV-UWVGGRQHSA-N	-1	0	256.302	0.836	20	30		CCEDRM
C=C[C@H](C)O[N-]C(=O)C(=O)Nc1ncn(C(C)(C)C)n1	ZINC000846152703	613483681	/nfs/dbraw/zinc/48/36/81/613483681.db2.gz	CLKCMLPWDFOXGG-QMMMGPOBSA-N	-1	0	281.316	0.594	20	30		CCEDRM
C=C[C@H](C)O[N-]C(=O)CNS(=O)(=O)c1ccccc1N	ZINC000855026497	613484209	/nfs/dbraw/zinc/48/42/09/613484209.db2.gz	GRKFXWXPXPGXEQ-VIFPVBQESA-N	-1	0	299.352	0.169	20	30		CCEDRM
C=C[C@H](C)O[N-]C(=O)CN1CCC[C@@H](C(=O)OC)C1=O	ZINC000824033239	613484217	/nfs/dbraw/zinc/48/42/17/613484217.db2.gz	GGHPOHNFOLGALR-VHSXEESVSA-N	-1	0	284.312	0.020	20	30		CCEDRM
C=C[C@H](C)O[N-]C(=O)c1c(C)c(C)nn(C)c1=O	ZINC000846548859	613488776	/nfs/dbraw/zinc/48/87/76/613488776.db2.gz	OUWJRFLEHADRIL-ZETCQYMHSA-N	-1	0	251.286	0.633	20	30		CCEDRM
C=C[C@H](O)C(=O)N1CCc2cc(C(=O)[O-])ccc2C1	ZINC000910504485	613495027	/nfs/dbraw/zinc/49/50/27/613495027.db2.gz	WIHLLGUGUVSSRG-LBPRGKRZSA-N	-1	0	261.277	0.816	20	30		CCEDRM
C=C[C@H](O)C(=O)N[C@@H](CC(=O)[O-])Cc1ccccc1	ZINC000908230109	613496882	/nfs/dbraw/zinc/49/68/82/613496882.db2.gz	ZXKPESZBWBDXDD-NEPJUHHUSA-N	-1	0	263.293	0.736	20	30		CCEDRM
CC#CCCNC(=O)N1C[C@@H](C(=O)OC)CC[C@@H]1C(=O)[O-]	ZINC000909030192	613522332	/nfs/dbraw/zinc/52/23/32/613522332.db2.gz	ASYSPAKUTHKNCJ-WDEREUQCSA-N	-1	0	296.323	0.448	20	30		CCEDRM
CC#CCN(C)S(=O)(=O)c1ccc(O)c(C(=O)[O-])c1	ZINC000906995395	613524800	/nfs/dbraw/zinc/52/48/00/613524800.db2.gz	MBEHCNLUIHPBBA-UHFFFAOYSA-N	-1	0	283.305	0.734	20	30		CCEDRM
C=CCCS(=O)(=O)NC[C@@H](NC(=O)[O-])C(C)C	ZINC000823500509	613581275	/nfs/dbraw/zinc/58/12/75/613581275.db2.gz	FZNZCXSPBWDACF-SECBINFHSA-N	-1	0	264.347	0.774	20	30		CCEDRM
C=CCCOCC(=O)NCc1cc(=O)[nH]c(=S)[nH]1	ZINC000880515331	613572111	/nfs/dbraw/zinc/57/21/11/613572111.db2.gz	HOADSRPXNDQXBM-UHFFFAOYSA-N	-1	0	269.326	0.680	20	30		CCEDRM
C=CCCOCC(=O)[N-]S(=O)(=O)CC[C@H]1CCCO1	ZINC000893712585	613572819	/nfs/dbraw/zinc/57/28/19/613572819.db2.gz	KCDLDFXXWLZZEO-LLVKDONJSA-N	-1	0	291.369	0.594	20	30		CCEDRM
C=CCCOCCCCC(=O)N(C)c1nnn[n-]1	ZINC000892955361	613573943	/nfs/dbraw/zinc/57/39/43/613573943.db2.gz	ZRVIBXSLRHQIKJ-UHFFFAOYSA-N	-1	0	253.306	0.926	20	30		CCEDRM
C=CCCS(=O)(=O)N[C@@](C)(CNC(=O)[O-])C1CC1	ZINC000823501363	613581446	/nfs/dbraw/zinc/58/14/46/613581446.db2.gz	VTIAFFXEYQOWFM-NSHDSACASA-N	-1	0	276.358	0.918	20	30		CCEDRM
C=CCC[C@H](O)CN1CCO[C@@H]([C@@H](C)NC(=O)[O-])C1	ZINC000823496296	613591066	/nfs/dbraw/zinc/59/10/66/613591066.db2.gz	HLYBNJNPARSGEK-GRYCIOLGSA-N	-1	0	272.345	0.670	20	30		CCEDRM
C=CCN(C)C(=O)c1cc(=O)n(-c2nc(C)cc(C)n2)[n-]1	ZINC000907517665	613609699	/nfs/dbraw/zinc/60/96/99/613609699.db2.gz	GFPPHLJIULWGGU-UHFFFAOYSA-N	-1	0	287.323	0.830	20	30		CCEDRM
C=CCN(CC(=O)[O-])C(=O)C[C@H](C)n1cccn1	ZINC000909517005	613642506	/nfs/dbraw/zinc/64/25/06/613642506.db2.gz	XBCWZNJHBHAJNM-JTQLQIEISA-N	-1	0	251.286	0.933	20	30		CCEDRM
C=CCN(CC(=O)[O-])C(=O)[C@@H]1CCn2cncc2C1	ZINC000909516920	613643106	/nfs/dbraw/zinc/64/31/06/613643106.db2.gz	TWSULQFZFRENKV-SNVBAGLBSA-N	-1	0	263.297	0.545	20	30		CCEDRM
C=CCN(CC(=O)[O-])C(=O)[C@@H]1CCc2nnc(C)n2C1	ZINC000909515177	613643235	/nfs/dbraw/zinc/64/32/35/613643235.db2.gz	RBPCLWLUNBBEQX-SNVBAGLBSA-N	-1	0	278.312	0.248	20	30		CCEDRM
C=CCN(CC(=O)[O-])C(=O)Nc1cc(CCOC)nn1C	ZINC000900341772	613643277	/nfs/dbraw/zinc/64/32/77/613643277.db2.gz	FUMHYGWWGUYBQW-UHFFFAOYSA-N	-1	0	296.327	0.714	20	30		CCEDRM
C=CCN(CC(=O)[O-])C(=O)c1ccc2c(n1)OCCO2	ZINC000848876603	613643887	/nfs/dbraw/zinc/64/38/87/613643887.db2.gz	NCGGORPXKBVGJO-UHFFFAOYSA-N	-1	0	278.264	0.566	20	30		CCEDRM
CC#CCS(=O)(=O)[N-]C(=O)Cc1csc(CC)n1	ZINC000791111754	613646164	/nfs/dbraw/zinc/64/61/64/613646164.db2.gz	XYCNHJDZNUGSSI-UHFFFAOYSA-N	-1	0	286.378	0.717	20	30		CCEDRM
CC#CCS(=O)(=O)[N-]C(=O)Cc1ccc(F)cc1F	ZINC000810774069	613646236	/nfs/dbraw/zinc/64/62/36/613646236.db2.gz	BKEFHFCFQJEMKT-UHFFFAOYSA-N	-1	0	287.287	0.977	20	30		CCEDRM
CC#CCS(=O)(=O)[N-]C(=O)[C@@H](NC(C)=O)C(C)(C)C	ZINC000835371453	613646543	/nfs/dbraw/zinc/64/65/43/613646543.db2.gz	IYVXLKRFQXWAJS-SNVBAGLBSA-N	-1	0	288.369	0.007	20	30		CCEDRM
CC#CCS(=O)(=O)[N-]C(=O)c1ccc(OC)o1	ZINC000847699425	613647580	/nfs/dbraw/zinc/64/75/80/613647580.db2.gz	QTXJKVVWRUWHKJ-UHFFFAOYSA-N	-1	0	257.267	0.371	20	30		CCEDRM
CC#CCS(=O)(=O)[N-]C(=O)c1cc[nH]c1C1CC1	ZINC000810774627	613647630	/nfs/dbraw/zinc/64/76/30/613647630.db2.gz	OPWFWAXHSBCZFO-UHFFFAOYSA-N	-1	0	266.322	0.975	20	30		CCEDRM
CC#CCS(=O)(=O)[N-]C(=O)c1ccc(N)c([N+](=O)[O-])c1	ZINC000810777074	613647638	/nfs/dbraw/zinc/64/76/38/613647638.db2.gz	UYMCWWWEFAEECO-UHFFFAOYSA-N	-1	0	297.292	0.260	20	30		CCEDRM
CC(=NNCC(=O)[O-])c1ccc2c(c1)CCC(=O)N2C	ZINC000814960267	613654294	/nfs/dbraw/zinc/65/42/94/613654294.db2.gz	JFEGASALZZOYQJ-UHFFFAOYSA-N	-1	0	275.308	0.994	20	30		CCEDRM
CC(=NNCC(=O)[O-])c1ccc(S(C)(=O)=O)c(F)c1	ZINC000814958679	613654386	/nfs/dbraw/zinc/65/43/86/613654386.db2.gz	KJXZFNCNIYZKJS-UHFFFAOYSA-N	-1	0	288.300	0.627	20	30		CCEDRM
CC(=NNCC(=O)[O-])c1ccc(S(C)(=O)=O)cc1	ZINC000814959301	613654419	/nfs/dbraw/zinc/65/44/19/613654419.db2.gz	ZBRATYHFBWEZFL-UHFFFAOYSA-N	-1	0	270.310	0.488	20	30		CCEDRM
CC(=NN[C@H]1CCS(=O)(=O)C1)c1ccc(C(=O)[O-])cc1	ZINC000825804422	613657085	/nfs/dbraw/zinc/65/70/85/613657085.db2.gz	IWUWUMTXAXEXGE-LBPRGKRZSA-N	-1	0	296.348	0.886	20	30		CCEDRM
C=CCN1CCCN(C(=O)c2n[nH]c(C)c2[O-])CC1	ZINC000980982100	613699812	/nfs/dbraw/zinc/69/98/12/613699812.db2.gz	WKJMZGXNHHCTJR-UHFFFAOYSA-N	-1	0	264.329	0.758	20	30		CCEDRM
CC(=O)NC[C@@H]1CCCN(C(=O)[C@](C)(C#N)CC(=O)[O-])C1	ZINC000819737473	613756153	/nfs/dbraw/zinc/75/61/53/613756153.db2.gz	SKMHJQBFHWURCZ-FZMZJTMJSA-N	-1	0	295.339	0.366	20	30		CCEDRM
C=CCNC(=O)C(=O)Nc1ccccc1CC(=O)[O-]	ZINC000817685797	613844920	/nfs/dbraw/zinc/84/49/20/613844920.db2.gz	JUGKRBOKZFLHOD-UHFFFAOYSA-N	-1	0	262.265	0.554	20	30		CCEDRM
C=CCNC(=O)CNC(=O)c1cccc(OCC(=O)[O-])c1	ZINC000833376911	613847033	/nfs/dbraw/zinc/84/70/33/613847033.db2.gz	VSOSDPXCIRKKOO-UHFFFAOYSA-N	-1	0	292.291	0.182	20	30		CCEDRM
C=CCNC(=O)C(C#N)=C([O-])c1nn(CC)nc1C	ZINC000815909229	613853010	/nfs/dbraw/zinc/85/30/10/613853010.db2.gz	UUPQXIRKQMXUBD-VIFPVBQESA-N	-1	0	261.285	0.231	20	30		CCEDRM
C=CCNC(=O)[C@H](C)OC(=O)c1cnccc1C(=O)[O-]	ZINC000825687465	613856083	/nfs/dbraw/zinc/85/60/83/613856083.db2.gz	LGMVOJUDULPWSS-QMMMGPOBSA-N	-1	0	278.264	0.627	20	30		CCEDRM
C=CCOCCCC(=O)N1CC[C@@H](NC(=O)[O-])C1	ZINC000823516125	613879649	/nfs/dbraw/zinc/87/96/49/613879649.db2.gz	ALABQTTWIYYBCR-SNVBAGLBSA-N	-1	0	256.302	0.838	20	30		CCEDRM
C=CCOCCCNC(=O)C12CC(C(=O)[O-])(C1)C2	ZINC000909958968	613879947	/nfs/dbraw/zinc/87/99/47/613879947.db2.gz	OWFQGFWPTOEFBI-UHFFFAOYSA-N	-1	0	253.298	0.950	20	30		CCEDRM
C=CCOCCNC(=O)N[C@@H](C[C@H]1CCCO1)C(=O)[O-]	ZINC000905539638	613880937	/nfs/dbraw/zinc/88/09/37/613880937.db2.gz	SPNLOQPEBDRDLH-MNOVXSKESA-N	-1	0	286.328	0.511	20	30		CCEDRM
C=CCOC[C@@H](NC(=O)C(C)(C)n1cnc(C)c1)C(=O)[O-]	ZINC000909770960	613881581	/nfs/dbraw/zinc/88/15/81/613881581.db2.gz	JWBHCHNXYURXBM-LLVKDONJSA-N	-1	0	295.339	0.699	20	30		CCEDRM
C=CCOC[C@@H](NC(=O)C(C)(C)COC)C(=O)[O-]	ZINC000909771779	613881591	/nfs/dbraw/zinc/88/15/91/613881591.db2.gz	PZKQDHZPGFWODN-SECBINFHSA-N	-1	0	259.302	0.431	20	30		CCEDRM
C=CCOC[C@@H](NC(=O)N[C@@H]1C[C@H]1CC)C(=O)[O-]	ZINC000909216298	613881676	/nfs/dbraw/zinc/88/16/76/613881676.db2.gz	DWJOFBUBLRHFBJ-OPRDCNLKSA-N	-1	0	256.302	0.740	20	30		CCEDRM
C=CCOC[C@@H](NC(=O)N[C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@H]12)C(=O)[O-]	ZINC000900298137	613881701	/nfs/dbraw/zinc/88/17/01/613881701.db2.gz	QKUNZOGTATUGBL-MCNAKINOSA-N	-1	0	296.323	0.117	20	30		CCEDRM
C=CCOC[C@@H](NC(=O)[C@H](CC(C)C)OC)C(=O)[O-]	ZINC000909772564	613881754	/nfs/dbraw/zinc/88/17/54/613881754.db2.gz	RYFPGUJQTCTRPN-MNOVXSKESA-N	-1	0	273.329	0.820	20	30		CCEDRM
C=CCOC[C@H](NC(=O)C1(CC)CCOCC1)C(=O)[O-]	ZINC000909769708	613882269	/nfs/dbraw/zinc/88/22/69/613882269.db2.gz	FOXLUUOVAHGPOX-NSHDSACASA-N	-1	0	285.340	0.965	20	30		CCEDRM
C=CCOC[C@H](NC(=O)Cn1cc(Cl)cn1)C(=O)[O-]	ZINC000909769734	613882387	/nfs/dbraw/zinc/88/23/87/613882387.db2.gz	BOLAPQUOQNBGSK-VIFPVBQESA-N	-1	0	287.703	0.309	20	30		CCEDRM
C=CCOC[C@H](NC(=O)N[C@@H]1CCO[C@H](C)C1)C(=O)[O-]	ZINC000909032328	613882493	/nfs/dbraw/zinc/88/24/93/613882493.db2.gz	BGKVROLLBZNKRI-MXWKQRLJSA-N	-1	0	286.328	0.509	20	30		CCEDRM
C=CCOC[C@H](NC(=O)N[C@@H]1CCS[C@@H]1C)C(=O)[O-]	ZINC000909247498	613882496	/nfs/dbraw/zinc/88/24/96/613882496.db2.gz	JUANSVQODIMONC-BBBLOLIVSA-N	-1	0	288.369	0.835	20	30		CCEDRM
C=CCOC[C@H](NC(=O)[C@]1(C)CCCCO1)C(=O)[O-]	ZINC000909771793	613882708	/nfs/dbraw/zinc/88/27/08/613882708.db2.gz	QHTDDTMSBJPXEX-GWCFXTLKSA-N	-1	0	271.313	0.718	20	30		CCEDRM
C=CCOC[C@H](NC(=O)c1nccn1CC)C(=O)[O-]	ZINC000909769895	613882744	/nfs/dbraw/zinc/88/27/44/613882744.db2.gz	BSZHZGCNLXWHMW-VIFPVBQESA-N	-1	0	267.285	0.289	20	30		CCEDRM
C=CCO[N-]C(=O)[C@@H](C)N1C(=O)NC2(CCCC2)C1=O	ZINC000837046851	613884365	/nfs/dbraw/zinc/88/43/65/613884365.db2.gz	QPOHSPZGISRJPL-SECBINFHSA-N	-1	0	281.312	0.473	20	30		CCEDRM
C=CCO[N-]C(=O)[C@@H](C)n1cnc2c1ncnc2N	ZINC000854853062	613884387	/nfs/dbraw/zinc/88/43/87/613884387.db2.gz	VOMWXBCPYZRFAL-SSDOTTSWSA-N	-1	0	262.273	0.203	20	30		CCEDRM
C=CCO[N-]C(=O)[C@@H](CO)NC(=O)OCc1ccccc1	ZINC000909286628	613884441	/nfs/dbraw/zinc/88/44/41/613884441.db2.gz	VSESBZGVPBVZEZ-GFCCVEGCSA-N	-1	0	294.307	0.508	20	30		CCEDRM
C=CCS(=O)(=O)[N-]C(=O)Cc1c(C)nc(CC)nc1C	ZINC000892883814	613886077	/nfs/dbraw/zinc/88/60/77/613886077.db2.gz	ZXNYROCZKIKZDK-UHFFFAOYSA-N	-1	0	297.380	0.830	20	30		CCEDRM
C=CCS(=O)(=O)[N-]C(=O)CCCC(=O)C1CC1	ZINC000835254414	613886086	/nfs/dbraw/zinc/88/60/86/613886086.db2.gz	XVVGCNUAMDDXPI-UHFFFAOYSA-N	-1	0	259.327	0.768	20	30		CCEDRM
C=CCS(=O)(=O)[N-]C(=O)[C@H]1CC[C@@H](C(=O)OCC)C1	ZINC000870256080	613886179	/nfs/dbraw/zinc/88/61/79/613886179.db2.gz	CMQYVSMYQKIJIK-VHSXEESVSA-N	-1	0	289.353	0.598	20	30		CCEDRM
C=CCS(=O)(=O)[N-]C(=O)[C@@H](Cc1ccccc1)OC	ZINC000835254275	613886188	/nfs/dbraw/zinc/88/61/88/613886188.db2.gz	VJZQBNVNVYGLCH-GFCCVEGCSA-N	-1	0	283.349	0.876	20	30		CCEDRM
CC(C)OC[C@@H](C(=O)[O-])N(C)C(=O)CSCC#N	ZINC000827002570	614025185	/nfs/dbraw/zinc/02/51/85/614025185.db2.gz	ZOIXLWUPVBLIGB-VIFPVBQESA-N	-1	0	274.342	0.580	20	30		CCEDRM
CC(C)C[C@@H](C#N)NC(=O)c1ccc(-c2nn[nH]n2)[nH]1	ZINC000824228564	614180070	/nfs/dbraw/zinc/18/00/70/614180070.db2.gz	JPSUZOBGLILIAR-QMMMGPOBSA-N	-1	0	273.300	0.863	20	30		CCEDRM
CC(C)[C@@](C)(C#N)NC(=O)CN1CC[C@H](N(C)C(=O)[O-])C1	ZINC000824055625	614180157	/nfs/dbraw/zinc/18/01/57/614180157.db2.gz	HFEMIDUAGKJZHB-SMDDNHRTSA-N	-1	0	296.371	0.725	20	30		CCEDRM
CC(C)C[C@@H](NC(=O)[O-])C(=O)NC1=NO[C@@H](C)C1	ZINC000833479112	614194656	/nfs/dbraw/zinc/19/46/56/614194656.db2.gz	KURRBMCXWABPPI-JGVFFNPUSA-N	-1	0	257.290	0.907	20	30		CCEDRM
CC(C)[C@H](NCC(F)(F)F)C(=O)N[C@@H]1CCN(O)C1=O	ZINC000820131732	614249407	/nfs/dbraw/zinc/24/94/07/614249407.db2.gz	LBLRQUIBNDHQHK-SFYZADRCSA-N	-1	0	297.277	0.269	20	30		CCEDRM
CC(C)(C#N)CNC(=O)N[C@@H]1CCCN(C(=O)[O-])C1	ZINC000833413930	614285769	/nfs/dbraw/zinc/28/57/69/614285769.db2.gz	WSYBISJLNQUBMC-SECBINFHSA-N	-1	0	268.317	0.978	20	30		CCEDRM
CC(C)(C#N)CS(=O)(=O)N1CCC[C@H](C(=O)[O-])C1	ZINC000905985072	614286454	/nfs/dbraw/zinc/28/64/54/614286454.db2.gz	BGCDJDLVRLVEAX-VIFPVBQESA-N	-1	0	274.342	0.663	20	30		CCEDRM
CC(C)(C#N)CS(=O)(=O)[N-]C(=O)c1ncccc1F	ZINC000850928512	614287106	/nfs/dbraw/zinc/28/71/06/614287106.db2.gz	DRDCTMJJRGWKLO-UHFFFAOYSA-N	-1	0	285.300	0.830	20	30		CCEDRM
CC(C)N(CC(=O)[O-])CC(=O)N[C@](C)(C#N)C(C)C	ZINC000820009658	614288191	/nfs/dbraw/zinc/28/81/91/614288191.db2.gz	WQXLQRYVZUJJAV-CYBMUJFWSA-N	-1	0	269.345	0.836	20	30		CCEDRM
CC(C)(C#N)NC(=O)C[C@@H]1CSCCN1C(=O)[O-]	ZINC000823737844	614288322	/nfs/dbraw/zinc/28/83/22/614288322.db2.gz	NDWODYXEJJHJKW-MRVPVSSYSA-N	-1	0	271.342	0.890	20	30		CCEDRM
CC(CC1(C(=O)[O-])CCC1)N=NC1=NCC(=O)N1	ZINC000863177779	614378488	/nfs/dbraw/zinc/37/84/88/614378488.db2.gz	WHGCYEIRSLACGM-UHFFFAOYSA-N	-1	0	252.274	0.083	20	30		CCEDRM
CC1(C#N)CN(S(=O)(=O)c2cc(C(=O)[O-])cs2)C1	ZINC000906960907	614422717	/nfs/dbraw/zinc/42/27/17/614422717.db2.gz	BLJABVNUWCSEMI-UHFFFAOYSA-N	-1	0	286.334	0.980	20	30		CCEDRM
CC1(C#N)CN(S(=O)(=O)c2cccc(C(=O)[O-])c2)C1	ZINC000906962698	614422787	/nfs/dbraw/zinc/42/27/87/614422787.db2.gz	MZAVHECFYAJVCM-UHFFFAOYSA-N	-1	0	280.305	0.919	20	30		CCEDRM
CCCn1cc(C=CC([O-])=C2C(=O)C=C(C)OC2=O)nn1	ZINC000865214523	614511426	/nfs/dbraw/zinc/51/14/26/614511426.db2.gz	UDMGMRSPARZKIR-IHVVCDCBSA-N	-1	0	289.291	0.916	20	30		CCEDRM
CCCN(C)S(=O)(=O)[N-]C(=O)c1cc(C)c(C#N)cn1	ZINC000838817492	614524870	/nfs/dbraw/zinc/52/48/70/614524870.db2.gz	YPYFLRDZVRIYCJ-UHFFFAOYSA-N	-1	0	296.352	0.578	20	30		CCEDRM
CCN(C)c1ccc(C=Nn2c(=O)[n-][nH]c2=O)cn1	ZINC000814231723	614921387	/nfs/dbraw/zinc/92/13/87/614921387.db2.gz	DKTYSYOPIVSQRI-UHFFFAOYSA-N	-1	0	262.273	0.423	20	30		CCEDRM
CCCOCC(=O)N1CCN(C(=O)[O-])C[C@@H]1C#N	ZINC000826935583	614935178	/nfs/dbraw/zinc/93/51/78/614935178.db2.gz	QIDYZCBGBHYUTR-VIFPVBQESA-N	-1	0	255.274	0.127	20	30		CCEDRM
CCN(CC(=O)N[C@](C)(C#N)C1CC1)C1CN(C(=O)[O-])C1	ZINC000827001811	614943178	/nfs/dbraw/zinc/94/31/78/614943178.db2.gz	CYGQYPJTOFEWOX-CQSZACIVSA-N	-1	0	294.355	0.479	20	30		CCEDRM
CC1CC(C#N)(C(=O)N2C[C@@H](C)O[C@@H](C(=O)[O-])C2)C1	ZINC000923086038	615010875	/nfs/dbraw/zinc/01/08/75/615010875.db2.gz	JWELZZNCAXHOCI-LIVJGEBJSA-N	-1	0	266.297	0.627	20	30		CCEDRM
CCN(CCC#N)C(=O)CN1CC[C@](F)(C(=O)[O-])C1	ZINC000829692352	615022087	/nfs/dbraw/zinc/02/20/87/615022087.db2.gz	HMVMBXBIDLDMSB-GFCCVEGCSA-N	-1	0	271.292	0.247	20	30		CCEDRM
CCN(C[C@H](C)C#N)C(=O)CN1CCO[C@H](CC(=O)[O-])C1	ZINC000829642653	615064435	/nfs/dbraw/zinc/06/44/35/615064435.db2.gz	NSNRGOJDCCZITP-VXGBXAGGSA-N	-1	0	297.355	0.170	20	30		CCEDRM
CCOCCCC(=O)N1CCN(C(=O)[O-])C[C@H]1C#N	ZINC000827393996	615237655	/nfs/dbraw/zinc/23/76/55/615237655.db2.gz	JVYHBSBIGOWUSL-SNVBAGLBSA-N	-1	0	269.301	0.517	20	30		CCEDRM
CCOCCCNC(=O)C(C#N)=C([O-])c1cnn(CC)c1	ZINC000114617557	615245737	/nfs/dbraw/zinc/24/57/37/615245737.db2.gz	HKHFVGBHTIMLKR-GFCCVEGCSA-N	-1	0	292.339	0.768	20	30		CCEDRM
CCOCCCNC(=O)C(C#N)=C([O-])c1ncoc1C	ZINC000105755473	615245824	/nfs/dbraw/zinc/24/58/24/615245824.db2.gz	ROZHKLXDPHFBFD-SNVBAGLBSA-N	-1	0	279.296	0.848	20	30		CCEDRM
CCOC[C@@H](C(=O)[O-])N(C)C(=O)C#Cc1ccccc1	ZINC000829939968	615303332	/nfs/dbraw/zinc/30/33/32/615303332.db2.gz	QKYUZTYQBFORBO-ZDUSSCGKSA-N	-1	0	275.304	0.986	20	30		CCEDRM
CCO[N-]C(=O)CNC(=O)NCc1ccc(C#N)c(F)c1	ZINC000845530499	615364908	/nfs/dbraw/zinc/36/49/08/615364908.db2.gz	PFRJYLGHKHMWIU-UHFFFAOYSA-N	-1	0	294.286	0.564	20	30		CCEDRM
CCO[C@@H](CC(=O)N(CC#N)CC(=O)[O-])C(C)C	ZINC000829912938	615401576	/nfs/dbraw/zinc/40/15/76/615401576.db2.gz	RASUVRRDXRCYFJ-JTQLQIEISA-N	-1	0	256.302	0.874	20	30		CCEDRM
CCO[C@@H]1C[C@H]1C(=O)[N-]S(=O)(=O)CC1(C#N)CC1	ZINC000793205105	615451029	/nfs/dbraw/zinc/45/10/29/615451029.db2.gz	WLJDKYVAINXRRG-RKDXNWHRSA-N	-1	0	272.326	0.161	20	30		CCEDRM
CC[C@@H](CNC(=O)[C@@]1(C#N)CCCOC1)C(=O)[O-]	ZINC000923086969	615483884	/nfs/dbraw/zinc/48/38/84/615483884.db2.gz	RULIETQHDLZWRY-JOYOIKCWSA-N	-1	0	254.286	0.534	20	30		CCEDRM
CC[C@@H](CNC(=O)[C@]1(C#N)CCCOC1)C(=O)[O-]	ZINC000923086967	615484030	/nfs/dbraw/zinc/48/40/30/615484030.db2.gz	RULIETQHDLZWRY-CABZTGNLSA-N	-1	0	254.286	0.534	20	30		CCEDRM
CCOc1ccc(O)c(C=Nn2c(=O)[n-][nH]c2=O)c1	ZINC000814233413	615511932	/nfs/dbraw/zinc/51/19/32/615511932.db2.gz	OMDSNPBHDKSPQB-UHFFFAOYSA-N	-1	0	264.241	0.676	20	30		CCEDRM
CCc1c(C(=O)N2CCN(C(=O)[O-])C[C@@H]2C#N)cnn1C	ZINC000827551181	615601224	/nfs/dbraw/zinc/60/12/24/615601224.db2.gz	OAOAPHPVYVGIQV-VIFPVBQESA-N	-1	0	291.311	0.310	20	30		CCEDRM
CCn1ncn([N-]C(=O)c2cc(C)c(C#N)cn2)c1=O	ZINC000854626166	615732963	/nfs/dbraw/zinc/73/29/63/615732963.db2.gz	JSFJJNZKJKKFMF-UHFFFAOYSA-N	-1	0	272.268	0.024	20	30		CCEDRM
CCc1nnc([C@@H](C)NC(=O)[C@@](C)(C#N)CC(=O)[O-])[nH]1	ZINC000820492853	615753122	/nfs/dbraw/zinc/75/31/22/615753122.db2.gz	SCSKLNMPKDMUND-JMCQJSRRSA-N	-1	0	279.300	0.549	20	30		CCEDRM
CC[C@H](NC(=O)[O-])C(=O)O[C@@H](C)C(=O)N(C)CCC#N	ZINC000827531200	615805681	/nfs/dbraw/zinc/80/56/81/615805681.db2.gz	CUOJMFCDPXRIGG-IUCAKERBSA-N	-1	0	285.300	0.336	20	30		CCEDRM
CC[C@H](NC(C)=O)C(=O)[N-]Oc1cccc(C#N)c1	ZINC000870691528	615814989	/nfs/dbraw/zinc/81/49/89/615814989.db2.gz	PPDMYHYEDKSMFU-LBPRGKRZSA-N	-1	0	261.281	0.883	20	30		CCEDRM
CC[C@H](NN=Cc1c2c(nn1C)CCC2)C(=O)[O-]	ZINC000901246837	615819695	/nfs/dbraw/zinc/81/96/95/615819695.db2.gz	RPJCQPQAAGQSQT-VIFPVBQESA-N	-1	0	250.302	0.696	20	30		CCEDRM
CC[C@H](OC)C(=O)N1CCN(C(=O)[O-])C[C@H]1C#N	ZINC000826631470	615854195	/nfs/dbraw/zinc/85/41/95/615854195.db2.gz	KNEFECUWZJDWRK-BDAKNGLRSA-N	-1	0	255.274	0.126	20	30		CCEDRM
CC[C@H](OC)C(=O)[N-]S(=O)(=O)c1cncc(C#N)c1	ZINC000813980156	615862203	/nfs/dbraw/zinc/86/22/03/615862203.db2.gz	SOVPOCAYEVQKLM-JTQLQIEISA-N	-1	0	283.309	0.183	20	30		CCEDRM
CC[C@](C)(C#N)C(=O)NC[C@@H]1CCO[C@@H]1C(=O)[O-]	ZINC000923099759	615942100	/nfs/dbraw/zinc/94/21/00/615942100.db2.gz	FFLJMFGEAZQZDX-HOTUBEGUSA-N	-1	0	254.286	0.532	20	30		CCEDRM
CN(CC1CCCCC1)C(=O)CN(CC#N)CC(=O)[O-]	ZINC000830717547	616066310	/nfs/dbraw/zinc/06/63/10/616066310.db2.gz	CNGJYRBFUADXFJ-UHFFFAOYSA-N	-1	0	281.356	0.935	20	30		CCEDRM
CN(CCN1CCCC1=O)C(=O)[C@](C)(C#N)CC(=O)[O-]	ZINC000820597413	616086258	/nfs/dbraw/zinc/08/62/58/616086258.db2.gz	QOCQLLUIQUKIEM-ZDUSSCGKSA-N	-1	0	281.312	0.072	20	30		CCEDRM
CN([C@H](C(=O)[O-])c1ccc(C#N)cc1)[C@@H]1CCNC1=O	ZINC000833690686	616115486	/nfs/dbraw/zinc/11/54/86/616115486.db2.gz	AVBHJLYDGUTBIN-NEPJUHHUSA-N	-1	0	273.292	0.504	20	30		CCEDRM
CN1C[C@@H](O)C[C@@]1(C)C(=O)Nc1cc(C#N)ccc1[O-]	ZINC000901224856	616322779	/nfs/dbraw/zinc/32/27/79/616322779.db2.gz	DZBZKKMGAMSYFF-HZMBPMFUSA-N	-1	0	275.308	0.657	20	30		CCEDRM
COC(=O)C1(C(=O)[N-]Oc2cccc(C#N)c2)CC1	ZINC000870691912	616352035	/nfs/dbraw/zinc/35/20/35/616352035.db2.gz	UAKHASHGKBVYSI-UHFFFAOYSA-N	-1	0	260.249	0.921	20	30		CCEDRM
CN1CC[C@H](C(=O)[N-]Oc2cccc(C#N)c2)C1=O	ZINC000870691183	616373991	/nfs/dbraw/zinc/37/39/91/616373991.db2.gz	GOHSTENBMZNRHG-LLVKDONJSA-N	-1	0	259.265	0.447	20	30		CCEDRM
COCCNC(=O)C(C#N)=C([O-])c1cc(C)cc(C)n1	ZINC000802041166	616491600	/nfs/dbraw/zinc/49/16/00/616491600.db2.gz	WZJMJWKRSADBEH-NSHDSACASA-N	-1	0	275.308	0.784	20	30		CCEDRM
COC(=O)CN(CC#N)C(=O)[C@H]1CCC[C@@H](C(=O)[O-])C1	ZINC000831164978	616587114	/nfs/dbraw/zinc/58/71/14/616587114.db2.gz	XBDKCLREIKBQEM-VHSXEESVSA-N	-1	0	282.296	0.403	20	30		CCEDRM
COCCS(=O)(=O)[N-]C(=O)c1ccc(C#N)cc1	ZINC000112604797	616610118	/nfs/dbraw/zinc/61/01/18/616610118.db2.gz	PPGGBTQZCGBAGW-UHFFFAOYSA-N	-1	0	268.294	0.264	20	30		CCEDRM
COC(=O)COCC(=O)[N-]Oc1cccc(C#N)c1	ZINC000870690491	616611444	/nfs/dbraw/zinc/61/14/44/616611444.db2.gz	PZKPTGFFNIWPDU-UHFFFAOYSA-N	-1	0	264.237	0.158	20	30		CCEDRM
COC(=O)Cc1c[n-]n(-c2ccc(C#N)cn2)c1=O	ZINC000887294556	616653488	/nfs/dbraw/zinc/65/34/88/616653488.db2.gz	DHVKEDXNMSORBU-SECBINFHSA-N	-1	0	258.237	0.465	20	30		CCEDRM
CNC(=O)C(C#N)=C([O-])c1cc(-c2ccoc2)[nH]n1	ZINC000917001621	616776941	/nfs/dbraw/zinc/77/69/41/616776941.db2.gz	CSXVELSPIVMNIZ-QMMMGPOBSA-N	-1	0	258.237	0.738	20	30		CCEDRM
CNC(=O)C(C#N)=C([O-])c1ccnc(O[C@H]2CCOC2)c1	ZINC000755613241	616778173	/nfs/dbraw/zinc/77/81/73/616778173.db2.gz	OPSKNYDETVBXCV-QWRGUYRKSA-N	-1	0	289.291	0.318	20	30		CCEDRM
COCC1(S(=O)(=O)[N-]C(=O)CC(C)(C)C#N)CC1	ZINC000811159535	616799761	/nfs/dbraw/zinc/79/97/61/616799761.db2.gz	STNUEAXRCOKYJF-UHFFFAOYSA-N	-1	0	274.342	0.551	20	30		CCEDRM
COCC1(S(=O)(=O)[N-]C(=O)c2cccc(C#N)n2)CC1	ZINC000811157887	616801210	/nfs/dbraw/zinc/80/12/10/616801210.db2.gz	VGIUSLJIQJGYAI-UHFFFAOYSA-N	-1	0	295.320	0.192	20	30		CCEDRM
COC[C@](C)(C#N)NC(=O)CCCN(C)C(=O)[O-]	ZINC000828885780	616816727	/nfs/dbraw/zinc/81/67/27/616816727.db2.gz	NQLJTYHEIJGBGZ-NSHDSACASA-N	-1	0	257.290	0.421	20	30		CCEDRM
COC[C@](C)(C#N)NC(=O)[C@@H]1CCC[C@@H](NC(=O)[O-])C1	ZINC000828885829	616817204	/nfs/dbraw/zinc/81/72/04/616817204.db2.gz	OXJDXRZXQWBFPM-BREBYQMCSA-N	-1	0	283.328	0.858	20	30		CCEDRM
COC(=O)N1CCC(NC(=O)[C@](C)(C#N)CC(=O)[O-])CC1	ZINC000820673285	616823870	/nfs/dbraw/zinc/82/38/70/616823870.db2.gz	YQFZHKIKFTUDGC-ZDUSSCGKSA-N	-1	0	297.311	0.338	20	30		CCEDRM
COC[C@](C)(O)C(=O)[N-]Oc1cccc(C#N)c1	ZINC000870691128	616836589	/nfs/dbraw/zinc/83/65/89/616836589.db2.gz	DIFBGVBGCVTFOV-LBPRGKRZSA-N	-1	0	250.254	0.366	20	30		CCEDRM
COC[C@@H](C)S(=O)(=O)[N-]C(=O)CC1(C#N)CC1	ZINC000815948616	616837994	/nfs/dbraw/zinc/83/79/94/616837994.db2.gz	PCKIMULQEGYDTG-MRVPVSSYSA-N	-1	0	260.315	0.161	20	30		CCEDRM
CNC(=O)C(C#N)=C([O-])c1ccc(NC)c([N+](=O)[O-])c1	ZINC000917002669	616839827	/nfs/dbraw/zinc/83/98/27/616839827.db2.gz	RXVQDGYJEAZHQH-MRVPVSSYSA-N	-1	0	276.252	0.705	20	30		CCEDRM
COC[C@@H](NC(=O)[C@@](C)(C#N)CC(=O)[O-])C1CC1	ZINC000820710817	616893026	/nfs/dbraw/zinc/89/30/26/616893026.db2.gz	VPLRXISYOYILBM-BXKDBHETSA-N	-1	0	254.286	0.532	20	30		CCEDRM
COCCCNC(=S)NN=Cc1ccc(C(=O)[O-])nc1	ZINC000901137905	616906119	/nfs/dbraw/zinc/90/61/19/616906119.db2.gz	KJZHTOCHDAYTJU-UHFFFAOYSA-N	-1	0	296.352	0.614	20	30		CCEDRM
CNC(=O)c1cccc(CN(CC#N)CC(=O)[O-])c1	ZINC000831016203	616916815	/nfs/dbraw/zinc/91/68/15/616916815.db2.gz	ZYWNTVKFGLXAAE-UHFFFAOYSA-N	-1	0	261.281	0.456	20	30		CCEDRM
COCCN(CC(=O)[O-])C(=O)c1sccc1CC#N	ZINC000901429372	616983745	/nfs/dbraw/zinc/98/37/45/616983745.db2.gz	VDCAKVKQBOJCJV-UHFFFAOYSA-N	-1	0	282.321	0.987	20	30		CCEDRM
COCCN(CCC#N)C(=O)C[C@@H]1CN(C(=O)[O-])CCO1	ZINC000828979620	616992111	/nfs/dbraw/zinc/99/21/11/616992111.db2.gz	JYLGTJFQXPDIBS-LLVKDONJSA-N	-1	0	299.327	0.144	20	30		CCEDRM
COC[C@@](C)(C#N)NC(=O)[C@H](CC(F)F)NC(=O)[O-]	ZINC000833883375	617011400	/nfs/dbraw/zinc/01/14/00/617011400.db2.gz	XONNEZIKLULJGG-QUBYGPBYSA-N	-1	0	279.243	0.323	20	30		CCEDRM
CNS(=O)(=O)c1ccc(C(C)=NNCCC(=O)[O-])cc1	ZINC000820645926	617037268	/nfs/dbraw/zinc/03/72/68/617037268.db2.gz	SAEIIHUGSGMTPD-UHFFFAOYSA-N	-1	0	299.352	0.383	20	30		CCEDRM
CO[C@H](C)CS(=O)(=O)[N-]c1nn(C)c(C)c1C#N	ZINC000886412901	617077084	/nfs/dbraw/zinc/07/70/84/617077084.db2.gz	WLAXUSPVFDZVSB-SSDOTTSWSA-N	-1	0	272.330	0.377	20	30		CCEDRM
CON=CC(=O)N1CC[C@@](C)([N-]C(=O)C(F)(F)F)C1	ZINC000830802252	617104492	/nfs/dbraw/zinc/10/44/92/617104492.db2.gz	RTCGXZPWOMBROU-SECBINFHSA-N	-1	0	281.234	0.288	20	30		CCEDRM
CO[C@]1(C(=O)[O-])CCN(C(=O)C2(C#N)CCSCC2)C1	ZINC000907728407	617130756	/nfs/dbraw/zinc/13/07/56/617130756.db2.gz	YZWPYZPFTGGXKY-CYBMUJFWSA-N	-1	0	298.364	0.725	20	30		CCEDRM
CO[C@]1(CN=Nc2ccc(C(=O)[O-])cn2)CCOC1	ZINC000841632478	617133693	/nfs/dbraw/zinc/13/36/93/617133693.db2.gz	OZOKMDVOISVBNC-LBPRGKRZSA-N	-1	0	265.269	0.983	20	30		CCEDRM
COc1cc(C(=O)/C=C\c2cn(CC(=O)[O-])nn2)on1	ZINC000821021019	617153304	/nfs/dbraw/zinc/15/33/04/617153304.db2.gz	BCKLCWIWPWLCLY-IHWYPQMZSA-N	-1	0	278.224	0.255	20	30		CCEDRM
C[C@@H](O)CN(C)N=Cc1ccc([N+](=O)[O-])c([O-])c1	ZINC000841650198	625302725	/nfs/dbraw/zinc/30/27/25/625302725.db2.gz	DODASGPWCIRQGJ-MRVPVSSYSA-N	-1	0	253.258	0.947	20	30		CCEDRM
CC[C@@H](CNS(=O)(=O)c1cnc(C)c(C#N)c1)C(=O)[O-]	ZINC000312438913	625430988	/nfs/dbraw/zinc/43/09/88/625430988.db2.gz	SUHGGXBOYZTQBX-VIFPVBQESA-N	-1	0	297.336	0.651	20	30		CCEDRM
CC[C@H](NN=Cc1cc(Br)nn1C)C(=O)[O-]	ZINC000309346515	622813655	/nfs/dbraw/zinc/81/36/55/622813655.db2.gz	LTEJXRLFONHFFE-ZETCQYMHSA-N	-1	0	289.133	0.969	20	30		CCEDRM
Cc1n[nH]c(C(=O)NC[C@H]2CCCN(CC#N)C2)c1[O-]	ZINC001023314957	622997616	/nfs/dbraw/zinc/99/76/16/622997616.db2.gz	RHBPTWNRNIKNSE-SNVBAGLBSA-N	-1	0	277.328	0.389	20	30		CCEDRM
N#Cc1ccccc1CS(=O)(=O)[N-]C(=O)CCF	ZINC000892412373	623181966	/nfs/dbraw/zinc/18/19/66/623181966.db2.gz	WIDCQPDXBRXZEZ-UHFFFAOYSA-N	-1	0	270.285	0.864	20	30		CCEDRM
C[C@H](OC[C@@H]1CCCCO1)C(=O)[N-]S(C)(=O)=O	ZINC000049501119	624463034	/nfs/dbraw/zinc/46/30/34/624463034.db2.gz	LGRZYLZYCVVBOS-IUCAKERBSA-N	-1	0	265.331	0.877	20	30		CCEDRM
O=C(CSc1n[nH]c(=O)[n-]1)NCC#C[C@H]1CCCCO1	ZINC000891123960	624731562	/nfs/dbraw/zinc/73/15/62/624731562.db2.gz	ZBYQOIHRAZNXRD-SECBINFHSA-N	-1	0	296.352	0.291	20	30		CCEDRM
CC(=O)Nc1cccc(C(=O)[N-]S(C)(=O)=O)c1	ZINC000048478901	624784933	/nfs/dbraw/zinc/78/49/33/624784933.db2.gz	HUOVFTHMHLBXHI-UHFFFAOYSA-N	-1	0	256.283	0.909	20	30		CCEDRM
N#CC[C@H](NC(=O)[C@H]1CC[C@H](C(=O)[O-])O1)C(F)(F)F	ZINC000905129590	634804904	/nfs/dbraw/zinc/80/49/04/634804904.db2.gz	IEMBKLYSOWGZIN-QYNIQEEDSA-N	-1	0	280.202	0.579	20	30		CCEDRM
Cc1nnc(NN=Cc2ccc([N+](=O)[O-])o2)[n-]c1=O	ZINC000263598142	631617890	/nfs/dbraw/zinc/61/78/90/631617890.db2.gz	HOLJAJCUZJZLJK-UHFFFAOYSA-N	-1	0	264.201	0.833	20	30		CCEDRM
C#C[C@H](C)NS(=O)(=O)c1ccc(OC)c(C(=O)[O-])c1	ZINC000122970311	631888148	/nfs/dbraw/zinc/88/81/48/631888148.db2.gz	JJKCLYWHRSFQKT-QMMMGPOBSA-N	-1	0	283.305	0.693	20	30		CCEDRM
C[C@H]1C(=O)N([N-]C(=O)c2ccc(C#N)s2)C(=O)N1C	ZINC000899031854	633715537	/nfs/dbraw/zinc/71/55/37/633715537.db2.gz	CALSLOUPNOIGOS-LURJTMIESA-N	-1	0	278.293	0.547	20	30		CCEDRM
Cn1c(=O)c2ccc(C(=O)NCCC#N)cc2[n-]c1=S	ZINC000899892489	633917807	/nfs/dbraw/zinc/91/78/07/633917807.db2.gz	GAQAZQVZDIHMMF-UHFFFAOYSA-N	-1	0	288.332	0.866	20	30		CCEDRM
N#Cc1cncc(N2C[C@@H](C(=O)[O-])[C@H](C3CC3)C2)n1	ZINC000900400768	634011076	/nfs/dbraw/zinc/01/10/76/634011076.db2.gz	PDKTWUAAYBUXNG-WDEREUQCSA-N	-1	0	258.281	0.895	20	30		CCEDRM
C#C[C@@H]1COCCN1S(=O)(=O)c1cccc(C(=O)[O-])c1	ZINC000907015373	635062722	/nfs/dbraw/zinc/06/27/22/635062722.db2.gz	QKBNDCWWOWBIMZ-LLVKDONJSA-N	-1	0	295.316	0.408	20	30		CCEDRM
C[C@@H](CN(C)C(=O)c1cccc(C#CCO)c1)c1nnn[n-]1	ZINC000907350762	635110077	/nfs/dbraw/zinc/11/00/77/635110077.db2.gz	VCEMFJPOVFLNEO-NSHDSACASA-N	-1	0	299.334	0.419	20	30		CCEDRM
O=C(N[C@@H]1CCCN(O)C1=O)c1cnc2cc[nH]c2c1	ZINC000908402250	635366574	/nfs/dbraw/zinc/36/65/74/635366574.db2.gz	CGVFMBBVWCRTKN-SNVBAGLBSA-N	-1	0	274.280	0.673	20	30		CCEDRM
C#C[C@](C)(CC)NC(=O)c1ccnc2c(C(=O)[O-])cnn21	ZINC000911385399	636241350	/nfs/dbraw/zinc/24/13/50/636241350.db2.gz	SVOKALOLXNNFPI-CQSZACIVSA-N	-1	0	286.291	0.959	20	30		CCEDRM
C#C[C@H]1CCCN(C(=O)c2ccnc3c(C(=O)[O-])cnn32)C1	ZINC000911410164	636258031	/nfs/dbraw/zinc/25/80/31/636258031.db2.gz	QARBKUACPANOQG-JTQLQIEISA-N	-1	0	298.302	0.913	20	30		CCEDRM
C#CCSCCNC(=O)N[C@](C)(C(=O)[O-])C1CC1	ZINC000227418703	637024765	/nfs/dbraw/zinc/02/47/65/637024765.db2.gz	CJBZYTLBZDTZBK-LBPRGKRZSA-N	-1	0	270.354	0.905	20	30		CCEDRM
COCCCNC(=O)C(C#N)=C([O-])c1scnc1C	ZINC000173939090	637237981	/nfs/dbraw/zinc/23/79/81/637237981.db2.gz	KWOFVRSKQZCGLA-SECBINFHSA-N	-1	0	281.337	0.927	20	30		CCEDRM
C#CCSCCNC(=O)c1cc(C(=O)[O-])on1	ZINC000231965206	637238118	/nfs/dbraw/zinc/23/81/18/637238118.db2.gz	IELWLQCWDLJPLP-UHFFFAOYSA-N	-1	0	254.267	0.469	20	30		CCEDRM
N#Cc1nc(NC(=O)c2ccc(NC(N)=O)cc2)[n-]c1C#N	ZINC000915067371	637726292	/nfs/dbraw/zinc/72/62/92/637726292.db2.gz	AYQJENCXTSLJOO-UHFFFAOYSA-N	-1	0	295.262	0.896	20	30		CCEDRM
COCCNC(=O)C(C#N)=C([O-])c1cccc(CC#N)c1	ZINC000193426894	637737529	/nfs/dbraw/zinc/73/75/29/637737529.db2.gz	DDZAUUBOTIJJFI-CYBMUJFWSA-N	-1	0	285.303	0.838	20	30		CCEDRM
N#C[C@]1(C(=O)N[C@H]2CC[C@H]2C(=O)[O-])CCCOC1	ZINC000923143548	640038731	/nfs/dbraw/zinc/03/87/31/640038731.db2.gz	RCFMRSWGURCSCR-VDDIYKPWSA-N	-1	0	252.270	0.286	20	30		CCEDRM
Cc1cc(C(=O)[N-]S(=O)(=O)CCCF)ncc1C#N	ZINC000838811889	640273017	/nfs/dbraw/zinc/27/30/17/640273017.db2.gz	ZPYNMUQKHWLHHA-UHFFFAOYSA-N	-1	0	285.300	0.681	20	30		CCEDRM
C[C@H]1CC(=NC(=O)c2cc3c(cc2[O-])OCO3)NO1	ZINC000765374933	640381661	/nfs/dbraw/zinc/38/16/61/640381661.db2.gz	DACDBDRBZDVXRQ-LURJTMIESA-N	-1	0	264.237	0.973	20	30		CCEDRM
C[C@@H]1CN=C(NN=Cc2cn(CC(=O)[O-])c3ccccc23)N1	ZINC000799884438	640598061	/nfs/dbraw/zinc/59/80/61/640598061.db2.gz	NDZKVRFFXXNFHI-SNVBAGLBSA-N	-1	0	299.334	0.997	20	30		CCEDRM
CNc1ccc(C#N)cc1NC(=O)c1cc(=O)[nH][n-]1	ZINC000803310370	640726619	/nfs/dbraw/zinc/72/66/19/640726619.db2.gz	JNELNIHPNDJDKE-UHFFFAOYSA-N	-1	0	257.253	0.414	20	30		CCEDRM
N#CC(C(=O)N1CCCC1)=C([O-])c1cc2n(n1)CCO2	ZINC000810528875	640937238	/nfs/dbraw/zinc/93/72/38/640937238.db2.gz	XSJIPQAOEXQQBT-SECBINFHSA-N	-1	0	274.280	0.220	20	30		CCEDRM
CC#CCS(=O)(=O)[N-]C(=O)C(C)(C)C1CCOCC1	ZINC000810775938	640949362	/nfs/dbraw/zinc/94/93/62/640949362.db2.gz	ANQYUPKTTQHBTI-UHFFFAOYSA-N	-1	0	287.381	0.909	20	30		CCEDRM
N#Cc1cncc(S(=O)(=O)[N-]C(=O)[C@@H]2C[C@H]2C2CC2)c1	ZINC000813985253	641051901	/nfs/dbraw/zinc/05/19/01/641051901.db2.gz	SPJZYBSALOFOEU-NWDGAFQWSA-N	-1	0	291.332	0.804	20	30		CCEDRM
O=c1[n-][nH]c(=O)n1N=Cc1cc(F)c(F)cc1F	ZINC000814232987	641061993	/nfs/dbraw/zinc/06/19/93/641061993.db2.gz	WDVFDVPBSXMYKB-UHFFFAOYSA-N	-1	0	258.159	0.989	20	30		CCEDRM
CC(C)(O)c1ccc(C=Nn2c(=O)[n-][nH]c2=O)cc1	ZINC000814233544	641062019	/nfs/dbraw/zinc/06/20/19/641062019.db2.gz	VHLVWOCRVJDHBN-UHFFFAOYSA-N	-1	0	262.269	0.799	20	30		CCEDRM
O=c1[n-][nH]c(=O)n1N=Cc1ccc(C(F)(F)F)[nH]1	ZINC000814231665	641062149	/nfs/dbraw/zinc/06/21/49/641062149.db2.gz	LBNUPUWADUJYSI-UHFFFAOYSA-N	-1	0	261.163	0.918	20	30		CCEDRM
Cc1nnc(NN=Cc2c(Cl)nc(N)n2C)[n-]c1=O	ZINC000814734938	641075167	/nfs/dbraw/zinc/07/51/67/641075167.db2.gz	LPUOAOLXFFREAU-UHFFFAOYSA-N	-1	0	282.695	0.301	20	30		CCEDRM
O=C([O-])CNN=C1CCS(=O)(=O)c2ccc(F)cc21	ZINC000814956624	641083157	/nfs/dbraw/zinc/08/31/57/641083157.db2.gz	ICBKLOLKIJKHOK-UHFFFAOYSA-N	-1	0	286.284	0.381	20	30		CCEDRM
O=C([O-])CCOc1cccc(C=NNCCO)c1	ZINC000814942157	641083887	/nfs/dbraw/zinc/08/38/87/641083887.db2.gz	LNHSUVOQNCUOIV-UHFFFAOYSA-N	-1	0	252.270	0.456	20	30		CCEDRM
C[C@@H](O)CNN=Cc1ccc(OCC(=O)[O-])c([N+](=O)[O-])c1	ZINC000814961882	641085987	/nfs/dbraw/zinc/08/59/87/641085987.db2.gz	UZIKXXHPEIOOFZ-MRVPVSSYSA-N	-1	0	297.267	0.363	20	30		CCEDRM
C[C@@H](O)CNN=Cc1cccc(O[C@H](C)C(=O)[O-])c1	ZINC000814963605	641086167	/nfs/dbraw/zinc/08/61/67/641086167.db2.gz	NSUURUNPIXIJSH-NXEZZACHSA-N	-1	0	266.297	0.843	20	30		CCEDRM
Cc1nc(C(=O)[N-]S(=O)(=O)CCCC#N)c(C)o1	ZINC000816005785	641136453	/nfs/dbraw/zinc/13/64/53/641136453.db2.gz	ZBNDSVKPOXARDN-UHFFFAOYSA-N	-1	0	271.298	0.655	20	30		CCEDRM
O=C(N[C@@H]1CCN(O)C1=O)[C@@H]1CC2CCC1CC2	ZINC000820138313	641469414	/nfs/dbraw/zinc/46/94/14/641469414.db2.gz	YMQVMVKPJQOEBP-JPPWEJMLSA-N	-1	0	252.314	0.919	20	30		CCEDRM
N#Cc1cn(CCC(=O)N2CCC[C@H]3C[C@H]32)c(=O)[n-]c1=O	ZINC000822856082	641708662	/nfs/dbraw/zinc/70/86/62/641708662.db2.gz	FHGOXTRSOHOUKR-GXSJLCMTSA-N	-1	0	288.307	0.222	20	30		CCEDRM
Cc1cc(CN2CCN(CC#N)CC2)oc1C(=O)[O-]	ZINC000832882505	642532357	/nfs/dbraw/zinc/53/23/57/642532357.db2.gz	IRGVRDPGOIXOTB-UHFFFAOYSA-N	-1	0	263.297	0.927	20	30		CCEDRM
C[C@]1(C#N)CCCN(CC(=O)N2CCC(C(=O)[O-])CC2)C1	ZINC000833551988	642538682	/nfs/dbraw/zinc/53/86/82/642538682.db2.gz	XKLLQDQAZHDJKV-OAHLLOKOSA-N	-1	0	293.367	0.935	20	30		CCEDRM
CO[C@H](C=Nn1c(=O)[n-][nH]c1=O)Cc1ccccc1	ZINC000834982243	642644996	/nfs/dbraw/zinc/64/49/96/642644996.db2.gz	SQFBOEUOMZADCP-JTQLQIEISA-N	-1	0	262.269	0.781	20	30		CCEDRM
COc1nc(C)ccc1C(=O)[N-]S(=O)(=O)CCC#N	ZINC000835409246	642660461	/nfs/dbraw/zinc/66/04/61/642660461.db2.gz	UMKMYLOIIVKCJV-UHFFFAOYSA-N	-1	0	283.309	0.372	20	30		CCEDRM
O=S(=O)(O[C@H]1CNOC1)c1cn[n-]c1C(F)(F)F	ZINC000867255845	642808939	/nfs/dbraw/zinc/80/89/39/642808939.db2.gz	DUAWUTZVDJYJHD-BYPYZUCNSA-N	-1	0	287.219	0.037	20	30		CCEDRM
Cc1ccc(C(=O)[N-]S(=O)(=O)CCC#N)nc1C	ZINC000842352879	642893539	/nfs/dbraw/zinc/89/35/39/642893539.db2.gz	DEDKTXNVUWWCNH-UHFFFAOYSA-N	-1	0	267.310	0.672	20	30		CCEDRM
N#Cc1ccc(S(=O)(=O)[N-]C(=O)C2(F)CC2)cc1	ZINC000842675481	642931537	/nfs/dbraw/zinc/93/15/37/642931537.db2.gz	DYAMBXGJWSROLW-UHFFFAOYSA-N	-1	0	268.269	0.865	20	30		CCEDRM
N#Cc1cccc(S(=O)(=O)[N-]N2CCCC2=O)c1	ZINC000867594500	642977641	/nfs/dbraw/zinc/97/76/41/642977641.db2.gz	QLTULVJBLMUZJF-UHFFFAOYSA-N	-1	0	265.294	0.374	20	30		CCEDRM
C#C[C@@H]1COCCN1S(=O)(=O)c1cc([O-])cc(F)c1	ZINC000867386037	643325907	/nfs/dbraw/zinc/32/59/07/643325907.db2.gz	ACZPGFKLJSVCCA-SNVBAGLBSA-N	-1	0	285.296	0.554	20	30		CCEDRM
C[C@H](CC#N)C(=O)OCCOCC[N-]C(=O)C(F)(F)F	ZINC000850930600	643822907	/nfs/dbraw/zinc/82/29/07/643822907.db2.gz	CSEDGAPEGHQLFD-MRVPVSSYSA-N	-1	0	296.245	0.774	20	30		CCEDRM
Cc1ccoc1CC(=O)[N-]S(=O)(=O)CC1(C#N)CC1	ZINC000850940306	643823358	/nfs/dbraw/zinc/82/33/58/643823358.db2.gz	LACZRLJTDXVVEN-UHFFFAOYSA-N	-1	0	282.321	0.880	20	30		CCEDRM
N#CCCS(=O)(=O)[N-]C(=O)[C@@H]1CCC[C@H]2C[C@H]21	ZINC000851015717	643826436	/nfs/dbraw/zinc/82/64/36/643826436.db2.gz	IANKKCBXLJDXFW-IVZWLZJFSA-N	-1	0	256.327	0.782	20	30		CCEDRM
N#CCCCCS(=O)(=O)N[C@H]1CC=C(C(=O)[O-])C1	ZINC000853069611	644072035	/nfs/dbraw/zinc/07/20/35/644072035.db2.gz	QDPAPIVXYNTXBE-JTQLQIEISA-N	-1	0	272.326	0.773	20	30		CCEDRM
N#C[C@@]1(C(=O)Nn2c(=O)[n-][nH]c2=O)CC12CCCC2	ZINC000854609316	644233175	/nfs/dbraw/zinc/23/31/75/644233175.db2.gz	OFGGXJWUQIQCDL-LLVKDONJSA-N	-1	0	263.257	0.233	20	30		CCEDRM
N#C[C@@H](NC(=O)c1n[n-]c2ccccc2c1=O)C1CC1	ZINC000118337348	644890090	/nfs/dbraw/zinc/89/00/90/644890090.db2.gz	JIKAGHQRMBSPBU-LLVKDONJSA-N	-1	0	268.276	0.955	20	30		CCEDRM
Cc1[nH]c(C=NN[C@H]2CCCS(=O)(=O)C2)cc1C(=O)[O-]	ZINC000863131881	645062080	/nfs/dbraw/zinc/06/20/80/645062080.db2.gz	PCCZZLYQDYDFCJ-VIFPVBQESA-N	-1	0	299.352	0.522	20	30		CCEDRM
Cc1cccc(S(=O)(=O)[N-]N2CCCC2=O)c1C#N	ZINC000867594182	645636186	/nfs/dbraw/zinc/63/61/86/645636186.db2.gz	IRFUCINKWUZFQC-UHFFFAOYSA-N	-1	0	279.321	0.682	20	30		CCEDRM
Cc1cnc(F)c(C(=O)[N-]S(=O)(=O)CCCC#N)c1	ZINC000870270033	645976516	/nfs/dbraw/zinc/97/65/16/645976516.db2.gz	PJVVQYOVOTUZGP-UHFFFAOYSA-N	-1	0	285.300	0.893	20	30		CCEDRM
CC#CCS(=O)(=O)[N-]C(=O)c1ncc2n1CCCC2	ZINC000870330892	645983697	/nfs/dbraw/zinc/98/36/97/645983697.db2.gz	HZSFIEYZFDOKMG-UHFFFAOYSA-N	-1	0	281.337	0.302	20	30		CCEDRM
N#Cc1cccc(O[N-]C(=O)[C@]2(O)CCSC2)c1	ZINC000870692231	646017299	/nfs/dbraw/zinc/01/72/99/646017299.db2.gz	YYTIRPVWARQOPD-LBPRGKRZSA-N	-1	0	264.306	0.836	20	30		CCEDRM
N#Cc1cccc(ONC(=O)C[C@@H]2CCC(=O)NC2)c1	ZINC000870690813	646017831	/nfs/dbraw/zinc/01/78/31/646017831.db2.gz	UUDNOVPOKZPEMG-NSHDSACASA-N	-1	0	273.292	0.885	20	30		CCEDRM
C[C@@H](C(=O)[N-]Oc1cccc(C#N)c1)N1CCN(C)CC1	ZINC000870692528	646018061	/nfs/dbraw/zinc/01/80/61/646018061.db2.gz	HEYXWVHAVKZVFP-LBPRGKRZSA-N	-1	0	288.351	0.604	20	30		CCEDRM
C[C@]1([N-]C(=O)C(F)(F)F)CCN(C(=O)NCCC#N)C1	ZINC000875540601	646537574	/nfs/dbraw/zinc/53/75/74/646537574.db2.gz	CICRGJGHRVEBNH-JTQLQIEISA-N	-1	0	292.261	0.753	20	30		CCEDRM
C#CC1(NC(=O)CSc2n[nH]c(=O)[n-]2)CCCC1	ZINC000882533626	647415421	/nfs/dbraw/zinc/41/54/21/647415421.db2.gz	FMESUVKSFGDHEJ-UHFFFAOYSA-N	-1	0	266.326	0.665	20	30		CCEDRM
CCOCCCNC(=O)C(C#N)=C([O-])c1cccnc1	ZINC000193350488	649534846	/nfs/dbraw/zinc/53/48/46/649534846.db2.gz	HTVCWDVHIYJYNK-GFCCVEGCSA-N	-1	0	275.308	0.947	20	30		CCEDRM
COCCNC(=O)C(C#N)=C([O-])c1ccc(COC)cc1	ZINC000193415745	649537848	/nfs/dbraw/zinc/53/78/48/649537848.db2.gz	HFGQBALJEPDRIC-CYBMUJFWSA-N	-1	0	290.319	0.918	20	30		CCEDRM
COCCNC(=O)C(C#N)=C([O-])c1cc(Cl)cn1C	ZINC000193418644	649537855	/nfs/dbraw/zinc/53/78/55/649537855.db2.gz	UZTFLSPPZFAMCU-SECBINFHSA-N	-1	0	283.715	0.764	20	30		CCEDRM
COCCNC(=O)C(C#N)=C([O-])c1cc(Cl)cn1C	ZINC000193418659	649538087	/nfs/dbraw/zinc/53/80/87/649538087.db2.gz	UZTFLSPPZFAMCU-VIFPVBQESA-N	-1	0	283.715	0.764	20	30		CCEDRM
C#Cc1cccc(NC(=O)N2CCOC[C@H]2C(=O)[O-])c1	ZINC000088383167	649639561	/nfs/dbraw/zinc/63/95/61/649639561.db2.gz	KADROAHUGZIFBE-LBPRGKRZSA-N	-1	0	274.276	0.985	20	30		CCEDRM
C=CCN(CC(=O)[O-])C(=O)NCCn1cccn1	ZINC000092467313	649724406	/nfs/dbraw/zinc/72/44/06/649724406.db2.gz	AHHWOADWLWPWHA-UHFFFAOYSA-N	-1	0	252.274	0.165	20	30		CCEDRM
C=CCOC[C@H](CS(=O)(=O)[O-])Oc1cccc(C#N)n1	ZINC001230044289	805578334	/nfs/dbraw/zinc/57/83/34/805578334.db2.gz	ZGFCYBWJPYLHAO-LLVKDONJSA-N	-1	0	298.320	0.791	20	30		CCEDRM
N#CCSCC(=O)N[C@@H](CC(F)F)C(=O)[O-]	ZINC000309205414	963330862	/nfs/dbraw/zinc/33/08/62/963330862.db2.gz	PRSBQOPADOEIRE-YFKPBYRVSA-N	-1	0	252.242	0.468	20	30		CCEDRM
Cc1onc(CC(=O)[N-]OCC(C)(C)O)c1C#N	ZINC000834622385	791062361	/nfs/dbraw/zinc/06/23/61/791062361.db2.gz	WQUBTSLPQSBJGC-UHFFFAOYSA-N	-1	0	253.258	0.216	20	30		CCEDRM
CSCC[C@H](NC(=O)C(C)(C)C#N)c1nnn[n-]1	ZINC001167444380	791118361	/nfs/dbraw/zinc/11/83/61/791118361.db2.gz	BQAIQQYXPIYMQM-ZETCQYMHSA-N	-1	0	268.346	0.660	20	30		CCEDRM
CCOC(=O)[C@H](C#C[Si](C)(C)C)Oc1n[nH]c(=O)[n-]1	ZINC001231308742	805774618	/nfs/dbraw/zinc/77/46/18/805774618.db2.gz	VEBAXKGCAMDCIW-QMMMGPOBSA-N	-1	0	283.360	0.702	20	30		CCEDRM
N#C[C@H]1CN(Cc2ccccc2OCC(=O)[O-])CCO1	ZINC001231796552	805857017	/nfs/dbraw/zinc/85/70/17/805857017.db2.gz	KJRYYFVXVHWFLQ-LBPRGKRZSA-N	-1	0	276.292	0.874	20	30		CCEDRM
N#Cc1ccc([O-])c(CN2CCN(C(N)=O)CC2)c1	ZINC001232679977	805969994	/nfs/dbraw/zinc/96/99/94/805969994.db2.gz	WFDCCJBQCBKVKD-UHFFFAOYSA-N	-1	0	260.297	0.460	20	30		CCEDRM
C=C1O[C@@H](C)C(=O)C1Oc1[nH]c(=O)nc2cn[n-]c21	ZINC001233940563	806151660	/nfs/dbraw/zinc/15/16/60/806151660.db2.gz	XSFMDRKHOFSFCW-BYPYZUCNSA-N	-1	0	262.225	0.244	20	30		CCEDRM
CCC1=C(Oc2[nH]c(=O)nc3cn[n-]c32)C(=O)[C@@H](C)O1	ZINC001233939761	806151834	/nfs/dbraw/zinc/15/18/34/806151834.db2.gz	OJTAAMBLNVGWFR-RXMQYKEDSA-N	-1	0	276.252	0.634	20	30		CCEDRM
Cn1c(=O)[n-]c(NCCOCC2CCCC2)c(C#N)c1=O	ZINC001120857196	798950338	/nfs/dbraw/zinc/95/03/38/798950338.db2.gz	UKQYNDBYDNUTIP-UHFFFAOYSA-N	-1	0	292.339	0.564	20	30		CCEDRM
C=CCn1c(-c2noc(=O)[nH]2)nnc1N1CCC[C@H]1C	ZINC001121579085	799058188	/nfs/dbraw/zinc/05/81/88/799058188.db2.gz	MKXQPFXREOPPKT-MRVPVSSYSA-N	-1	0	276.300	0.796	20	30		CCEDRM
C=CC[C@@H](CO)CNC(=O)NC[C@H](CC)C(=O)[O-]	ZINC001121917447	799092882	/nfs/dbraw/zinc/09/28/82/799092882.db2.gz	KJBLJTOPCTXOEC-ZJUUUORDSA-N	-1	0	258.318	0.581	20	30		CCEDRM
Cn1ccnc1C([O-])=C(C#N)C(=O)CSCC#N	ZINC001122631825	799277146	/nfs/dbraw/zinc/27/71/46/799277146.db2.gz	KFYGOUGYVQQAOV-MRVPVSSYSA-N	-1	0	262.294	0.568	20	30		CCEDRM
C[C@H](C(=O)C(C#N)=C([O-])c1nccn1C)c1cnn(C)c1	ZINC001122631928	799277299	/nfs/dbraw/zinc/27/72/99/799277299.db2.gz	LAFJUADYSSVYBC-ONGXEEELSA-N	-1	0	285.307	0.849	20	30		CCEDRM
C=CCCO[C@@H](C)C(=O)N1CCC[C@H](Cc2nnn[n-]2)C1	ZINC001123915352	799503440	/nfs/dbraw/zinc/50/34/40/799503440.db2.gz	UEXUQGFFYWUEQN-NWDGAFQWSA-N	-1	0	293.371	0.962	20	30		CCEDRM
C=C(CCC(=O)OC)C(=O)NCCc1n[n-]c(=S)o1	ZINC001154906967	800866190	/nfs/dbraw/zinc/86/61/90/800866190.db2.gz	JMTNYAUGOVNAJL-UHFFFAOYSA-N	-1	0	285.325	0.526	20	30		CCEDRM
COc1cc(C#N)nc(N[C@@H]2SC(=O)[N-]C2=O)c1	ZINC001155843471	801064211	/nfs/dbraw/zinc/06/42/11/801064211.db2.gz	OWKPJOVZOGRJLN-SECBINFHSA-N	-1	0	264.266	0.683	20	30		CCEDRM
Cc1cc(NCC[N-]C(=O)C(F)(F)F)nc(C#N)n1	ZINC001156203113	801129092	/nfs/dbraw/zinc/12/90/92/801129092.db2.gz	IRLHOSUZSJJMMD-UHFFFAOYSA-N	-1	0	273.218	0.169	20	30		CCEDRM
N#Cc1ccc2c(c1)n[nH]c2C(=O)NCc1n[nH]c(=O)[n-]1	ZINC001156889246	801254815	/nfs/dbraw/zinc/25/48/15/801254815.db2.gz	NHRWPXHZQNRMOM-UHFFFAOYSA-N	-1	0	283.251	0.188	20	30		CCEDRM
Cc1cnc(N[C@@H]2C(=O)N(S(=O)(=O)[O-])[C@H]2C)c(C#N)c1	ZINC001157067617	801294334	/nfs/dbraw/zinc/29/43/34/801294334.db2.gz	KBRNZXBFRTYYMI-CBAPKCEASA-N	-1	0	296.308	0.076	20	30		CCEDRM
N#Cc1c[nH]c2ncnc(NCC(=O)CCC(=O)[O-])c12	ZINC001160871184	802036355	/nfs/dbraw/zinc/03/63/55/802036355.db2.gz	KIMDRRVAKHKYEC-UHFFFAOYSA-N	-1	0	273.252	0.675	20	30		CCEDRM
CCc1nc(C#N)c(C#N)nc1NCC(=O)CCC(=O)[O-]	ZINC001160875846	802039261	/nfs/dbraw/zinc/03/92/61/802039261.db2.gz	CHKVQYGNNZBLAZ-UHFFFAOYSA-N	-1	0	287.279	0.628	20	30		CCEDRM
N#CC1(Nc2nccnc2CC(=O)[O-])CCOCC1	ZINC001161479865	802160503	/nfs/dbraw/zinc/16/05/03/802160503.db2.gz	YPKILCXIAGWHKG-UHFFFAOYSA-N	-1	0	262.269	0.588	20	30		CCEDRM
N#Cc1ccc2c(c1)C[C@H](NC(=O)c1n[nH]c(=O)[n-]1)C2	ZINC001161747602	802214496	/nfs/dbraw/zinc/21/44/96/802214496.db2.gz	IMJJBHUNMVBYAT-SNVBAGLBSA-N	-1	0	269.264	0.279	20	30		CCEDRM
C=CCS(=O)(=O)[N-]c1cncc(N2CCOCC2)n1	ZINC001259922330	808804663	/nfs/dbraw/zinc/80/46/63/808804663.db2.gz	AYNIHTFJKMNRDN-UHFFFAOYSA-N	-1	0	284.341	0.241	20	30		CCEDRM
Cc1nsc([N-]S(=O)(=O)c2ccn(C)n2)c1C#N	ZINC001259937150	808811368	/nfs/dbraw/zinc/81/13/68/808811368.db2.gz	MMLRGJZUFYZBIW-UHFFFAOYSA-N	-1	0	283.338	0.858	20	30		CCEDRM
CCOC(=O)c1n[nH]c([C@H](C)NC(=O)CCCC#N)n1	ZINC001166127630	802885164	/nfs/dbraw/zinc/88/51/64/802885164.db2.gz	UACUDKWYWZMGFN-QMMMGPOBSA-N	-1	0	279.300	0.852	20	30		CCEDRM
C=CCC[C@H](NC(=O)NC[C@]1(OC)CCOC1)C(=O)[O-]	ZINC000316578835	804710569	/nfs/dbraw/zinc/71/05/69/804710569.db2.gz	HHELZNKTRYXRHQ-GXFFZTMASA-N	-1	0	286.328	0.511	20	30		CCEDRM
C=CCC[C@H](NC(=O)NCCn1ccnc1C)C(=O)[O-]	ZINC000316716828	804720597	/nfs/dbraw/zinc/72/05/97/804720597.db2.gz	XNBHVQLWCGWGTA-NSHDSACASA-N	-1	0	280.328	0.910	20	30		CCEDRM
C=CCOC[C@@H](CS(=O)(=O)[O-])OCc1ncc[nH]1	ZINC001222873857	804936207	/nfs/dbraw/zinc/93/62/07/804936207.db2.gz	JBWZZCMLBVWACG-VIFPVBQESA-N	-1	0	276.314	0.385	20	30		CCEDRM
C=CCOC[C@H](CS(=O)(=O)[O-])OC[C@@H]1CCO1	ZINC001224473162	805040219	/nfs/dbraw/zinc/04/02/19/805040219.db2.gz	IASSSMBZESNBKN-VHSXEESVSA-N	-1	0	266.315	0.251	20	30		CCEDRM
C=CCOC[C@H](CS(=O)(=O)[O-])OCCOCOC	ZINC001224819012	805081194	/nfs/dbraw/zinc/08/11/94/805081194.db2.gz	FUCLGIVAGZUAEI-SNVBAGLBSA-N	-1	0	284.330	0.083	20	30		CCEDRM
N#CCCN1CC(Oc2ccc(S(=O)(=O)[O-])cc2)C1	ZINC001225517403	805137461	/nfs/dbraw/zinc/13/74/61/805137461.db2.gz	IIINMECRKGHGER-UHFFFAOYSA-N	-1	0	282.321	0.910	20	30		CCEDRM
C=CCOC[C@H](CS(=O)(=O)[O-])Oc1cc(=O)cc[nH]1	ZINC001225605181	805142975	/nfs/dbraw/zinc/14/29/75/805142975.db2.gz	RJQSXROUPFUKGK-SNVBAGLBSA-N	-1	0	289.309	0.625	20	30		CCEDRM
CCOC(=O)C[C@@H](CC#N)Oc1[n-]c(=O)ncc1F	ZINC001225883019	805172921	/nfs/dbraw/zinc/17/29/21/805172921.db2.gz	XWRFIZIMJBLBLT-SSDOTTSWSA-N	-1	0	269.232	0.936	20	30		CCEDRM
CC1=C(Oc2[n-]c(=O)ncc2[N+](=O)[O-])C(=O)[C@H](C)O1	ZINC001226331159	805220498	/nfs/dbraw/zinc/22/04/98/805220498.db2.gz	IGNGMUJICBWFRS-BYPYZUCNSA-N	-1	0	267.197	0.689	20	30		CCEDRM
C#C[C@H](Oc1nc(=O)[n-]c(C(=O)OC)c1[N+](=O)[O-])C(C)C	ZINC001226648308	805260272	/nfs/dbraw/zinc/26/02/72/805260272.db2.gz	CVRSSCSFUBKLQU-ZETCQYMHSA-N	-1	0	295.251	0.914	20	30		CCEDRM
Cc1n[nH]c(C(=O)N[C@H](C)CCCNCC#N)c1[O-]	ZINC001277162663	805290585	/nfs/dbraw/zinc/29/05/85/805290585.db2.gz	GMHPOFGKVOPPGZ-MRVPVSSYSA-N	-1	0	265.317	0.435	20	30		CCEDRM
CC(C)C(=O)N1CC(Oc2[n-]c(=O)ccc2C#N)C1	ZINC001228902705	805488351	/nfs/dbraw/zinc/48/83/51/805488351.db2.gz	SVDKNARAACOJJS-UHFFFAOYSA-N	-1	0	261.281	0.904	20	30		CCEDRM
COc1cc(=O)[n-]c(OC2=C(C)O[C@H](C)C2=O)n1	ZINC001228919039	805489330	/nfs/dbraw/zinc/48/93/30/805489330.db2.gz	ULZHALTXSMXGRE-RXMQYKEDSA-N	-1	0	252.226	0.789	20	30		CCEDRM
N#Cc1cccc(OC(=O)[C@H](O)CC(=O)[O-])c1[N+](=O)[O-]	ZINC001229598777	805542300	/nfs/dbraw/zinc/54/23/00/805542300.db2.gz	WCTNTBCMQFYZFZ-SSDOTTSWSA-N	-1	0	280.192	0.207	20	30		CCEDRM
COc1cc(C#N)nc(-c2cnn(CC(=O)[O-])c2)c1	ZINC001242182269	806994886	/nfs/dbraw/zinc/99/48/86/806994886.db2.gz	VPIWLQIQQYDUQS-UHFFFAOYSA-N	-1	0	258.237	0.910	20	30		CCEDRM
C#CC[C@@H](NC(=O)[C@H]1COc2ccccc2O1)C(=O)[O-]	ZINC000149933689	815140200	/nfs/dbraw/zinc/14/02/00/815140200.db2.gz	ABRJJMQZGGFYMC-BXKDBHETSA-N	-1	0	275.260	0.419	20	30		CCEDRM
C=CCOC[C@H](O)CNc1cc(=O)[n-]c(Cl)n1	ZINC001252456455	807871421	/nfs/dbraw/zinc/87/14/21/807871421.db2.gz	RPOOHFBDUJYREJ-SSDOTTSWSA-N	-1	0	259.693	0.811	20	30		CCEDRM
N#Cc1cn(Cc2cccc(C(=O)CC(=O)C(=O)[O-])c2)nn1	ZINC001254083547	808178358	/nfs/dbraw/zinc/17/83/58/808178358.db2.gz	GSQQJRQTSGAYLV-ACAGNQJTSA-N	-1	0	298.258	0.907	20	30		CCEDRM
N#Cc1ccc(S(=O)(=O)NCC(=O)CCC(=O)[O-])cc1	ZINC001258167927	808659571	/nfs/dbraw/zinc/65/95/71/808659571.db2.gz	JAWVDIOFLUZHHK-UHFFFAOYSA-N	-1	0	296.304	0.270	20	30		CCEDRM
COC(=O)CS(=O)(=O)[N-]c1cc(F)c(F)c(C#N)c1	ZINC001259025913	808722518	/nfs/dbraw/zinc/72/25/18/808722518.db2.gz	CFHMRRJMRXFVCI-UHFFFAOYSA-N	-1	0	290.247	0.751	20	30		CCEDRM
COC(=O)CS(=O)(=O)[N-]c1ccc(C)cc1C#N	ZINC001259024404	808722682	/nfs/dbraw/zinc/72/26/82/808722682.db2.gz	OSIRNJVPDDLOPR-UHFFFAOYSA-N	-1	0	268.294	0.781	20	30		CCEDRM
C=C(C)C(=O)OC[C@@H](C)OCCCS(=O)(=O)[O-]	ZINC001224892816	815642580	/nfs/dbraw/zinc/64/25/80/815642580.db2.gz	DGXZQYCCCNPDHI-SECBINFHSA-N	-1	0	266.315	0.789	20	30		CCEDRM
C#Cc1cnc([N-]S(=O)(=O)C(F)F)c(C#C)n1	ZINC001259950869	808819333	/nfs/dbraw/zinc/81/93/33/808819333.db2.gz	IBHAANOKQMFLET-UHFFFAOYSA-N	-1	0	257.221	0.404	20	30		CCEDRM
CCOC(=O)[C@@H](C#N)[N-]S(=O)(=O)Cc1ccccc1C	ZINC001260024904	808836762	/nfs/dbraw/zinc/83/67/62/808836762.db2.gz	OOGABPXRKBLAPP-GFCCVEGCSA-N	-1	0	296.348	0.870	20	30		CCEDRM
COc1nonc1[N-]S(=O)(=O)Cc1ccc(C#N)cc1	ZINC001260037753	808837673	/nfs/dbraw/zinc/83/76/73/808837673.db2.gz	CLPXCOQXCIYVMI-UHFFFAOYSA-N	-1	0	294.292	0.892	20	30		CCEDRM
C#CC(C)(C)[N-]S(=O)(=O)c1nc2nc(Cl)ccn2n1	ZINC001260177875	808855170	/nfs/dbraw/zinc/85/51/70/808855170.db2.gz	ODNOHWYUOPOPNX-UHFFFAOYSA-N	-1	0	299.743	0.468	20	30		CCEDRM
CC(C)(C#N)NS(=O)(=O)c1ccc(O)c(C(=O)[O-])c1	ZINC001260400843	808860285	/nfs/dbraw/zinc/86/02/85/808860285.db2.gz	IWFOTMAHGJQUQA-UHFFFAOYSA-N	-1	0	284.293	0.671	20	30		CCEDRM
Cc1nc(S(=O)(=O)[N-]c2cccc(C#N)n2)cn1C	ZINC001260542438	808862581	/nfs/dbraw/zinc/86/25/81/808862581.db2.gz	SZNLWVIFUJWDKB-UHFFFAOYSA-N	-1	0	277.309	0.796	20	30		CCEDRM
Cc1cc([N-]S(=O)(=O)c2cn[nH]c2)cnc1C#N	ZINC001260954855	808887525	/nfs/dbraw/zinc/88/75/25/808887525.db2.gz	AXKRJRFRAJHDDL-UHFFFAOYSA-N	-1	0	263.282	0.786	20	30		CCEDRM
N#Cc1cc(O)ccc1[N-]S(=O)(=O)c1cn[nH]c1	ZINC001260961300	808892220	/nfs/dbraw/zinc/89/22/20/808892220.db2.gz	PICTTYHUZFWSST-UHFFFAOYSA-N	-1	0	264.266	0.788	20	30		CCEDRM
C=C[C@@H](C)O[N-]C(=O)C(=O)Nc1cc(CCOC)nn1C	ZINC001261515180	809005053	/nfs/dbraw/zinc/00/50/53/809005053.db2.gz	YVZPRZLEVHTJBV-SECBINFHSA-N	-1	0	296.327	0.170	20	30		CCEDRM
CCC1=C(OCCS(=O)(=O)[O-])C(=O)[C@H](C)O1	ZINC001224568116	815271729	/nfs/dbraw/zinc/27/17/29/815271729.db2.gz	DLEFNXWEDWXSIA-LURJTMIESA-N	-1	0	250.272	0.500	20	30		CCEDRM
C=CC[C@H](NC(=O)N[C@H](COC)[C@H]1CCCO1)C(=O)[O-]	ZINC001262210004	809244682	/nfs/dbraw/zinc/24/46/82/809244682.db2.gz	ISAJIERXHWUBDO-HBNTYKKESA-N	-1	0	286.328	0.509	20	30		CCEDRM
C[C@@H]1CCN(c2[n-]c(=O)n(C)c(=O)c2C#N)C[C@H]1F	ZINC001262690161	809396308	/nfs/dbraw/zinc/39/63/08/809396308.db2.gz	UBZZEUNMVDESDO-VXNVDRBHSA-N	-1	0	266.276	0.130	20	30		CCEDRM
C=CCO[N-]C(=O)C(=O)Nc1sc(C)nc1C	ZINC001262715828	809403634	/nfs/dbraw/zinc/40/36/34/809403634.db2.gz	LYVHDDYKZQBNPB-UHFFFAOYSA-N	-1	0	255.299	0.932	20	30		CCEDRM
C=CCCC(=O)N1C[C@H]2CC[C@@H](C1)N2Cc1n[nH]c(=O)[n-]1	ZINC001267397725	811285390	/nfs/dbraw/zinc/28/53/90/811285390.db2.gz	ZSMNJDRKCISKTE-PHIMTYICSA-N	-1	0	291.355	0.652	20	30		CCEDRM
C#CCC[N@@H+]1C[C@@H](NC(=O)c2ccccc2O)[C@@H](O)C1	ZINC001083347999	812897375	/nfs/dbraw/zinc/89/73/75/812897375.db2.gz	SXYLSVBFWQBCLP-OCCSQVGLSA-N	-1	0	274.320	0.190	20	30		CCEDRM
CC[C@H](C#CC(=O)OC)Oc1nc(C(=O)OC)cc(=O)[n-]1	ZINC001225731561	813498690	/nfs/dbraw/zinc/49/86/90/813498690.db2.gz	ZZJJYOOFVIRWFP-MRVPVSSYSA-N	-1	0	294.263	0.303	20	30		CCEDRM
C[C@H](Oc1c([O-])c(=O)c(=O)c1=O)c1ccccc1C#N	ZINC001225830350	813617296	/nfs/dbraw/zinc/61/72/96/813617296.db2.gz	HZINYIYPHPMDAG-ZETCQYMHSA-N	-1	0	271.228	0.360	20	30		CCEDRM
C#C[C@H](Oc1c([O-])c(=O)c(=O)c1=O)[C@@H](CC)CCCC	ZINC001225831497	813621858	/nfs/dbraw/zinc/62/18/58/813621858.db2.gz	WBSDHFNDPNNCAD-UWVGGRQHSA-N	-1	0	278.304	0.945	20	30		CCEDRM
C=CCOC[C@H](CS(=O)(=O)[O-])Oc1cc(C)nn1C	ZINC001226836748	814172833	/nfs/dbraw/zinc/17/28/33/814172833.db2.gz	RWMGYRJYNKVLQX-SNVBAGLBSA-N	-1	0	290.341	0.566	20	30		CCEDRM
Cc1n[nH]c(C(=O)N[C@H]2CCN(CC#N)[C@@H]2C)c1[O-]	ZINC001088525906	814852511	/nfs/dbraw/zinc/85/25/11/814852511.db2.gz	SHKRXCUGJQNVNU-BDAKNGLRSA-N	-1	0	263.301	0.140	20	30		CCEDRM
C=CCN1C[C@@H]2C[C@H]1CN2C(=O)c1n[nH]c(C)c1[O-]	ZINC001032357560	817979604	/nfs/dbraw/zinc/97/96/04/817979604.db2.gz	VNRBVFKVUGUWBF-UWVGGRQHSA-N	-1	0	262.313	0.508	20	30		CCEDRM
C=CC[C@H]1CCCN(C(=O)c2cn(CC(=O)[O-])nn2)C1	ZINC000703705050	819318209	/nfs/dbraw/zinc/31/82/09/819318209.db2.gz	CPGDLZGLIHFDCO-JTQLQIEISA-N	-1	0	278.312	0.791	20	30		CCEDRM
COc1nc(N[C@H]2SC(=O)[N-]C2=O)ccc1C#N	ZINC001163662628	820167144	/nfs/dbraw/zinc/16/71/44/820167144.db2.gz	QDROAMYRBUQDLA-VIFPVBQESA-N	-1	0	264.266	0.683	20	30		CCEDRM
C[C@H]1C[C@H](C(=O)[N-]S(=O)(=O)CC2(C#N)CC2)CCC1=O	ZINC000793198654	837404533	/nfs/dbraw/zinc/40/45/33/837404533.db2.gz	ZJGJGZORTKGNLX-VHSXEESVSA-N	-1	0	298.364	0.741	20	30		CCEDRM
Cc1cc([N-]S(=O)(=O)c2c[nH]cn2)cnc1C#N	ZINC001187730935	844753222	/nfs/dbraw/zinc/75/32/22/844753222.db2.gz	TTZGBKJAMWKHKJ-UHFFFAOYSA-N	-1	0	263.282	0.786	20	30		CCEDRM
CN(C)S(=O)(=O)CCNC(=O)CCC(=O)C1=CC=C[CH]1	ZINC001184245970	844187702	/nfs/dbraw/zinc/18/77/02/844187702.db2.gz	GBYQHTSFPKRANR-UHFFFAOYSA-N	-1	0	299.372	0.044	20	30		CCEDRM
C[C@@H](NC(=O)c1cn[nH]n1)[C@H](C)Nc1ccc(C#N)cn1	ZINC001113356489	837096017	/nfs/dbraw/zinc/09/60/17/837096017.db2.gz	IHONLDZPTALZAU-DTWKUNHWSA-N	-1	0	285.311	0.690	20	30		CCEDRM
CN(C(=O)[C@@H]1C[C@H]1c1cccc(C#N)c1)c1nnn[n-]1	ZINC001130971955	837961879	/nfs/dbraw/zinc/96/18/79/837961879.db2.gz	KVMGMDILIKULEY-WDEREUQCSA-N	-1	0	268.280	0.838	20	30		CCEDRM
CN(C(=O)COc1ccc(C#N)cc1)c1nnn[n-]1	ZINC001131170325	838012191	/nfs/dbraw/zinc/01/21/91/838012191.db2.gz	XQMPVLSKWXBGJU-UHFFFAOYSA-N	-1	0	258.241	0.113	20	30		CCEDRM
CO[N-]C(=O)CNC(=O)c1cc(C#N)ccc1F	ZINC001134416921	838973425	/nfs/dbraw/zinc/97/34/25/838973425.db2.gz	DNTXJJUJXWUJPS-UHFFFAOYSA-N	-1	0	251.217	0.105	20	30		CCEDRM
C[C@H](Cc1cccc(C#N)c1)NCS(=O)(=O)[O-]	ZINC001171183264	840051063	/nfs/dbraw/zinc/05/10/63/840051063.db2.gz	CBADCVZSSOCJBR-SECBINFHSA-N	-1	0	254.311	0.924	20	30		CCEDRM
COc1nccc(N[C@@H]2C(=O)N(O)C[C@@H]2C)c1N	ZINC001171365095	840957673	/nfs/dbraw/zinc/95/76/73/840957673.db2.gz	KLGWOMRAGNOANK-RCOVLWMOSA-N	-1	0	252.274	0.320	20	30		CCEDRM
N#Cc1cccc2[nH]nc(NC(=O)Cc3nnn[n-]3)c21	ZINC001176837825	842423813	/nfs/dbraw/zinc/42/38/13/842423813.db2.gz	ITYWQDADUVLRIM-UHFFFAOYSA-N	-1	0	268.240	0.129	20	30		CCEDRM
N#Cc1cccc2c1CC[C@H]2NC(=O)Cc1nnn[n-]1	ZINC001176846938	842446701	/nfs/dbraw/zinc/44/67/01/842446701.db2.gz	BMKHTTGXNYVRSD-LLVKDONJSA-N	-1	0	268.280	0.418	20	30		CCEDRM
Cn1ccc(C(=O)NCCCS)c1CC(=O)[O-]	ZINC001177369662	842552753	/nfs/dbraw/zinc/55/27/53/842552753.db2.gz	VMLFFZSKICKFRX-UHFFFAOYSA-N	-1	0	256.327	0.702	20	30		CCEDRM
Cn1ccc(C(=O)N2CCOC[C@H]2C#N)c1CC(=O)[O-]	ZINC001177364714	842567868	/nfs/dbraw/zinc/56/78/68/842567868.db2.gz	GZJXAYUOIQEGTQ-SECBINFHSA-N	-1	0	277.280	0.017	20	30		CCEDRM
N#C[C@@H](Cc1cccs1)C(=O)NCC(=O)CCC(=O)[O-]	ZINC001177918228	842710598	/nfs/dbraw/zinc/71/05/98/842710598.db2.gz	SBYODMCOJXEVQX-SECBINFHSA-N	-1	0	294.332	0.980	20	30		CCEDRM
C=CCOC[C@@H](CS(=O)(=O)[O-])O[C@@H](C)C(=O)OCC	ZINC001204260545	843101287	/nfs/dbraw/zinc/10/12/87/843101287.db2.gz	QZMYGZDMBGJSGA-UWVGGRQHSA-N	-1	0	296.341	0.414	20	30		CCEDRM
N#C[C@@H]1C[C@H](F)CN1C(=O)C(F)(F)C(F)(F)C(=O)[O-]	ZINC001180173703	843109289	/nfs/dbraw/zinc/10/92/89/843109289.db2.gz	LIKKKFDMTKVZMI-WHFBIAKZSA-N	-1	0	286.156	0.804	20	30		CCEDRM
N#Cc1ncc([N-]S(=O)(=O)c2nccs2)cn1	ZINC001187853372	844783238	/nfs/dbraw/zinc/78/32/38/844783238.db2.gz	MGXQAXCNYAXARQ-UHFFFAOYSA-N	-1	0	267.295	0.606	20	30		CCEDRM
COC(=O)CCS(=O)(=O)Nc1ccc(C#N)c(OC)c1	ZINC001188389467	844877284	/nfs/dbraw/zinc/87/72/84/844877284.db2.gz	WFFUIVVDCBSALB-UHFFFAOYSA-N	-1	0	298.320	0.872	20	30		CCEDRM
COC(=O)CCS(=O)(=O)[N-]c1cccc(C#N)n1	ZINC001188353189	844882087	/nfs/dbraw/zinc/88/20/87/844882087.db2.gz	RSIDWIUGUPRETI-UHFFFAOYSA-N	-1	0	269.282	0.258	20	30		CCEDRM
Cn1cnc(C#N)c1[N-]S(=O)(=O)c1ncc(F)cc1F	ZINC001190141826	845330447	/nfs/dbraw/zinc/33/04/47/845330447.db2.gz	HGTPHGOTNVFFTC-UHFFFAOYSA-N	-1	0	299.262	0.766	20	30		CCEDRM
C#Cc1ccccc1C(=O)N=c1ncnc2[nH][nH]cc1-2	ZINC001191101792	845578817	/nfs/dbraw/zinc/57/88/17/845578817.db2.gz	UCKDXNVMUKVZDJ-UHFFFAOYSA-N	-1	0	263.260	0.960	20	30		CCEDRM
N=C(c1nonc1N)N(O)C(=O)c1c([O-])ccc(F)c1F	ZINC001192730282	845898046	/nfs/dbraw/zinc/89/80/46/845898046.db2.gz	SYRSRHYEGHIVLU-UHFFFAOYSA-N	-1	0	299.193	0.493	20	30		CCEDRM
N#CCS(=O)(=O)[N-]c1cc(F)nc(F)c1F	ZINC001192942800	845929749	/nfs/dbraw/zinc/92/97/49/845929749.db2.gz	CCLBOIKTDYGVGX-UHFFFAOYSA-N	-1	0	251.189	0.764	20	30		CCEDRM
N#CCS(=O)(=O)[N-]c1cncc(C(F)(F)F)n1	ZINC001192938506	845942259	/nfs/dbraw/zinc/94/22/59/845942259.db2.gz	DXFIROZMLKSWJH-UHFFFAOYSA-N	-1	0	266.204	0.761	20	30		CCEDRM
Cc1nc([N-]S(=O)(=O)CC#N)c(C#N)cc1C#N	ZINC001192939485	845943594	/nfs/dbraw/zinc/94/35/94/845943594.db2.gz	QUKMOOZVUHSURY-UHFFFAOYSA-N	-1	0	261.266	0.399	20	30		CCEDRM
CNC(=O)c1ccc([N-]S(=O)(=O)CC#N)cc1Cl	ZINC001192980142	845962562	/nfs/dbraw/zinc/96/25/62/845962562.db2.gz	CPEXPWAVZPLFOB-UHFFFAOYSA-N	-1	0	287.728	0.965	20	30		CCEDRM
COCCn1cnc([N-]S(=O)(=O)[C@H](C)C#N)c1	ZINC001193111421	845981424	/nfs/dbraw/zinc/98/14/24/845981424.db2.gz	GQWSLFTTWBPRSR-MRVPVSSYSA-N	-1	0	258.303	0.183	20	30		CCEDRM
C[C@@H](C#N)S(=O)(=O)[N-]c1cnn2c1OCC1(CC1)C2	ZINC001193113061	845983089	/nfs/dbraw/zinc/98/30/89/845983089.db2.gz	YNUSVKSIVUJWSL-QMMMGPOBSA-N	-1	0	282.325	0.709	20	30		CCEDRM
COC(=O)c1cc(O)cc([N-]S(=O)(=O)[C@@H](C)C#N)c1	ZINC001193148772	846004258	/nfs/dbraw/zinc/00/42/58/846004258.db2.gz	DUHLIVQMZCLMLM-ZETCQYMHSA-N	-1	0	284.293	0.833	20	30		CCEDRM
COC(=O)c1cc(C#N)cc([N-]S(=O)(=O)[C@H](C)C#N)c1	ZINC001193157219	846008283	/nfs/dbraw/zinc/00/82/83/846008283.db2.gz	BZQCVHDWYMSDPE-MRVPVSSYSA-N	-1	0	293.304	0.999	20	30		CCEDRM
N#Cc1ncccc1[N-]S(=O)(=O)C[C@H]1CCCO1	ZINC001193205699	846018715	/nfs/dbraw/zinc/01/87/15/846018715.db2.gz	MBKOCMQKWHHPFE-SECBINFHSA-N	-1	0	267.310	0.874	20	30		CCEDRM
Cc1nc(C#N)c([N-]S(=O)(=O)C[C@H]2CCCO2)o1	ZINC001193208724	846019575	/nfs/dbraw/zinc/01/95/75/846019575.db2.gz	WVZNYODERBKETC-MRVPVSSYSA-N	-1	0	271.298	0.775	20	30		CCEDRM
Cn1cc([N-]S(=O)(=O)C[C@@H]2CCCO2)c(C#N)n1	ZINC001193208341	846019815	/nfs/dbraw/zinc/01/98/15/846019815.db2.gz	VGFXUAMIEGKRRI-QMMMGPOBSA-N	-1	0	270.314	0.212	20	30		CCEDRM
Cn1cc([N-]S(=O)(=O)C[C@H]2CCCO2)c(C#N)n1	ZINC001193208340	846020169	/nfs/dbraw/zinc/02/01/69/846020169.db2.gz	VGFXUAMIEGKRRI-MRVPVSSYSA-N	-1	0	270.314	0.212	20	30		CCEDRM
C#Cc1cc(=NC(=O)c2cccc(OCCO)c2[O-])cc[nH]1	ZINC001193323334	846053799	/nfs/dbraw/zinc/05/37/99/846053799.db2.gz	WIGKQKBRKSJZDE-UHFFFAOYSA-N	-1	0	298.298	0.814	20	30		CCEDRM
N#Cc1cc(C(=O)N2CCNCC(F)(F)C2)ccc1[O-]	ZINC001193504993	846101270	/nfs/dbraw/zinc/10/12/70/846101270.db2.gz	AXBZXUKITJNCAP-UHFFFAOYSA-N	-1	0	281.262	0.945	20	30		CCEDRM
C[C@@]1(CO)CCN(C(=O)c2ccc([O-])c(C#N)c2)C[C@H]1O	ZINC001193505831	846101811	/nfs/dbraw/zinc/10/18/11/846101811.db2.gz	JGMOBMVCZGPWPU-HIFRSBDPSA-N	-1	0	290.319	0.469	20	30		CCEDRM
Cc1nnc(CNC(=O)c2ccc([O-])c(C#N)c2)[nH]1	ZINC001193519110	846103010	/nfs/dbraw/zinc/10/30/10/846103010.db2.gz	QPDPEWOZQNDLLM-UHFFFAOYSA-N	-1	0	257.253	0.620	20	30		CCEDRM
C#Cc1ccc([N-]S(=O)(=O)c2nccn2C)cn1	ZINC001193565415	846108499	/nfs/dbraw/zinc/10/84/99/846108499.db2.gz	OLFOJSZFKSFPGV-UHFFFAOYSA-N	-1	0	262.294	0.597	20	30		CCEDRM
CN1CCO[C@H]2CN(C(=O)c3cccc(C#N)c3[O-])C[C@H]21	ZINC001193642954	846134934	/nfs/dbraw/zinc/13/49/34/846134934.db2.gz	UFVDNFCKMZJPBR-OLZOCXBDSA-N	-1	0	287.319	0.419	20	30		CCEDRM
COCCOC1CN(C(=O)c2cccc(C#N)c2[O-])C1	ZINC001193646513	846138942	/nfs/dbraw/zinc/13/89/42/846138942.db2.gz	LGOQKWACQMVDSW-UHFFFAOYSA-N	-1	0	276.292	0.751	20	30		CCEDRM
CC(=O)NC[C@H](C)CNC(=O)c1cccc(C#N)c1[O-]	ZINC001193658732	846140400	/nfs/dbraw/zinc/14/04/00/846140400.db2.gz	FODQKKMBRBJIPV-VIFPVBQESA-N	-1	0	275.308	0.766	20	30		CCEDRM
COc1ncccc1S(=O)(=O)[N-]c1cn(C)nc1C#N	ZINC001194678925	846355457	/nfs/dbraw/zinc/35/54/57/846355457.db2.gz	JNXXHQBSKBEYBD-UHFFFAOYSA-N	-1	0	293.308	0.496	20	30		CCEDRM
C=CCCOc1ccc(C(=O)N[C@@H]2CO[N-]C2=O)cc1	ZINC001195140852	846470728	/nfs/dbraw/zinc/47/07/28/846470728.db2.gz	IOJKIRATEMCRDG-GFCCVEGCSA-N	-1	0	276.292	0.801	20	30		CCEDRM
Cn1nnnc1[N-]S(=O)(=O)c1cc(Cl)ccc1C#N	ZINC001196639589	846783394	/nfs/dbraw/zinc/78/33/94/846783394.db2.gz	KDILSNPUDKPRGA-UHFFFAOYSA-N	-1	0	298.715	0.536	20	30		CCEDRM
N#Cc1c(N)nn(-c2cc([O-])cc([N+](=O)[O-])c2)c1N	ZINC001199819475	847430260	/nfs/dbraw/zinc/43/02/60/847430260.db2.gz	SPVQWRGHDACHHT-UHFFFAOYSA-N	-1	0	260.213	0.522	20	30		CCEDRM
CN(C)C(=O)[C@]12C[C@H]1CCN2C(=O)c1ccc([O-])c(C#N)c1	ZINC001276155208	848941198	/nfs/dbraw/zinc/94/11/98/848941198.db2.gz	BOPZJMJNOHAYBI-WBMJQRKESA-N	-1	0	299.330	0.957	20	30		CCEDRM
C=CCN(CC(F)(F)F)C(=O)c1cn(CC(=O)[O-])nn1	ZINC000688813139	849195850	/nfs/dbraw/zinc/19/58/50/849195850.db2.gz	JUNFJIZPOLEJLO-UHFFFAOYSA-N	-1	0	292.217	0.553	20	30		CCEDRM
C=CCOC[C@@H](CS(=O)(=O)[O-])OC[C@@H](C)C(=O)OC	ZINC001206559315	849799027	/nfs/dbraw/zinc/79/90/27/849799027.db2.gz	KRHJIEXGWFQYHH-ZJUUUORDSA-N	-1	0	296.341	0.271	20	30		CCEDRM
C=CCS(=O)(=O)[N-]c1nc(C)cc(C)c1C(N)=O	ZINC001259922438	851650885	/nfs/dbraw/zinc/65/08/85/851650885.db2.gz	HWLUXPXJXFMBKF-UHFFFAOYSA-N	-1	0	269.326	0.725	20	30		CCEDRM
C=CC[N@H+](CC(=O)[O-])Cc1cnc(N(C)C)nc1	ZINC001262157027	852499269	/nfs/dbraw/zinc/49/92/69/852499269.db2.gz	NOOAMLWADVBRAY-UHFFFAOYSA-N	-1	0	250.302	0.615	20	30		CCEDRM
C=CCN1CC2(C1)C[C@H](NC(=O)c1[nH]nc(C)c1[O-])CO2	ZINC001053779095	852818275	/nfs/dbraw/zinc/81/82/75/852818275.db2.gz	MZXCHBBETRRYQR-JTQLQIEISA-N	-1	0	292.339	0.183	20	30		CCEDRM
N#Cc1cccnc1N1CCC[C@@H](NC(=O)c2cn[nH]n2)C1	ZINC001058268818	853808359	/nfs/dbraw/zinc/80/83/59/853808359.db2.gz	XMUNAOFCCIWYIC-LLVKDONJSA-N	-1	0	297.322	0.470	20	30		CCEDRM
N#Cc1ccc(NCC2CC(NC(=O)c3cn[nH]n3)C2)nc1	ZINC001067900825	853864618	/nfs/dbraw/zinc/86/46/18/853864618.db2.gz	FCYRHXKCSVGMSN-UHFFFAOYSA-N	-1	0	297.322	0.692	20	30		CCEDRM
C#CC[C@@H](NC(=O)c1ccc2c(c1)COC2)C(=O)[O-]	ZINC000149603091	853990734	/nfs/dbraw/zinc/99/07/34/853990734.db2.gz	IXFFQBBRYUSISR-GFCCVEGCSA-N	-1	0	259.261	0.923	20	30		CCEDRM
C=CC[C@H](NC(=O)[C@H](C)OCCOCC)C(=O)[O-]	ZINC001116906166	855862762	/nfs/dbraw/zinc/86/27/62/855862762.db2.gz	GJZXBIHLLWKMGH-UWVGGRQHSA-N	-1	0	259.302	0.574	20	30		CCEDRM
C=CC1(S(=O)(=O)[N-]C(=O)[C@H]2CCNC(=O)CC2)CC1	ZINC001119056218	856545260	/nfs/dbraw/zinc/54/52/60/856545260.db2.gz	MSILNPFTLCWRPM-SECBINFHSA-N	-1	0	286.353	0.067	20	30		CCEDRM
Cn1nc(C(=O)[O-])cc1CN1CC[C@](F)(C#N)C1	ZINC001119097314	856557234	/nfs/dbraw/zinc/55/72/34/856557234.db2.gz	YGIDHISXDIJDQS-NSHDSACASA-N	-1	0	252.249	0.556	20	30		CCEDRM
C=CC[C@H](NC(=O)c1cc([C@@H]2CCCN2C)n[nH]1)C(=O)[O-]	ZINC001119644473	856806151	/nfs/dbraw/zinc/80/61/51/856806151.db2.gz	KQVNFIGHEVMVOR-CABZTGNLSA-N	-1	0	292.339	0.936	20	30		CCEDRM
C=CCC(F)(F)C(=O)[N-]S(=O)(=O)C1CCOCC1	ZINC001324261144	912747654	/nfs/dbraw/zinc/74/76/54/912747654.db2.gz	MHMAKCCEAVBRSZ-UHFFFAOYSA-N	-1	0	283.296	0.823	20	30		CCEDRM
COCc1nocc1C(=O)[N-]S(=O)(=O)CCCC#N	ZINC001325910549	913638280	/nfs/dbraw/zinc/63/82/80/913638280.db2.gz	UJIYRIFFGWAOBK-UHFFFAOYSA-N	-1	0	287.297	0.184	20	30		CCEDRM
C=CC[C@H](NC(=O)c1c(C)cc(C)[nH]c1=O)C(=O)[O-]	ZINC000150315038	894997120	/nfs/dbraw/zinc/99/71/20/894997120.db2.gz	RCGUYZRVENBMQN-VIFPVBQESA-N	-1	0	264.281	0.751	20	30		CCEDRM
C#CCCCC(=O)N[C@]1(C)CCN(Cc2n[nH]c(=O)[n-]2)C1	ZINC001484042250	896172595	/nfs/dbraw/zinc/17/25/95/896172595.db2.gz	ORNZANXQBWWIPN-CQSZACIVSA-N	-1	0	291.355	0.394	20	30		CCEDRM
N#Cc1nc(NC(=O)CCc2ncc[nH]2)[n-]c1C#N	ZINC001326672594	914088697	/nfs/dbraw/zinc/08/86/97/914088697.db2.gz	QRVFMYIHBUDRJJ-UHFFFAOYSA-N	-1	0	255.241	0.447	20	30		CCEDRM
C=C(C)CO[N-]C(=O)C(=O)Nc1ccc(C2CC2)nn1	ZINC001326800789	914188225	/nfs/dbraw/zinc/18/82/25/914188225.db2.gz	PMZQADVFMGTFIJ-UHFFFAOYSA-N	-1	0	276.296	0.916	20	30		CCEDRM
CN(C)S(=O)(=O)[N-]c1ccc(C#N)cc1C#N	ZINC001251097921	900060453	/nfs/dbraw/zinc/06/04/53/900060453.db2.gz	HPCUIJNKIFUGCZ-UHFFFAOYSA-N	-1	0	250.283	0.648	20	30		CCEDRM
C=CCCC(=O)N[C@@H](C)CN(C)C(=O)c1n[nH]c(C)c1[O-]	ZINC001487750979	900130146	/nfs/dbraw/zinc/13/01/46/900130146.db2.gz	JSSFOGALGYVTJL-VIFPVBQESA-N	-1	0	294.355	0.967	20	30		CCEDRM
N#Cc1cn(CC(=O)NCC2CCCCC2)c(=O)[n-]c1=O	ZINC001411620565	901163951	/nfs/dbraw/zinc/16/39/51/901163951.db2.gz	ZIUXXFQOAKPSNW-UHFFFAOYSA-N	-1	0	290.323	0.517	20	30		CCEDRM
Cc1cc(C#N)c(=O)[n-]c1C(=O)N1CC[C@@H](C)[C@@H](O)C1	ZINC001411981570	901374256	/nfs/dbraw/zinc/37/42/56/901374256.db2.gz	AFQSSXAWMBDCRV-KCJUWKMLSA-N	-1	0	275.308	0.810	20	30		CCEDRM
C=CCN(CC(=O)[O-])C(=O)CCc1cn(C)nc1C	ZINC001326376463	901401085	/nfs/dbraw/zinc/40/10/85/901401085.db2.gz	WUYUBWOBVXLMSF-UHFFFAOYSA-N	-1	0	265.313	0.760	20	30		CCEDRM
CCO[C@H](C(=O)Nc1nc(C#N)c(C#N)[n-]1)[C@H]1CCOC1	ZINC001412292676	901624162	/nfs/dbraw/zinc/62/41/62/901624162.db2.gz	OCFTTXRJCBYBMA-KWQFWETISA-N	-1	0	289.295	0.533	20	30		CCEDRM
C[C@@H](CC#N)C(=O)[N-]S(=O)(=O)c1cccc([N+](=O)[O-])c1	ZINC001327480389	914562062	/nfs/dbraw/zinc/56/20/62/914562062.db2.gz	RBACMOKIZBJDCL-QMMMGPOBSA-N	-1	0	297.292	0.949	20	30		CCEDRM
CN(C(=O)CCn1cc(C#N)c(=O)[n-]c1=O)c1cccnc1	ZINC001412523737	901789792	/nfs/dbraw/zinc/78/97/92/901789792.db2.gz	CIUTXTWNNKTIJE-UHFFFAOYSA-N	-1	0	299.290	0.269	20	30		CCEDRM
Cc1cc(C#N)c(=O)[n-]c1C(=O)N1CC[C@H](c2ncon2)C1	ZINC001412581826	901843669	/nfs/dbraw/zinc/84/36/69/901843669.db2.gz	BWEBBSNEEUMFLZ-VIFPVBQESA-N	-1	0	299.290	0.980	20	30		CCEDRM
COC[C@@H](NC(=O)c1cc(C#N)oc1C)c1nnn[n-]1	ZINC001412605527	901862154	/nfs/dbraw/zinc/86/21/54/901862154.db2.gz	KHZRYSLEPMZXSO-SECBINFHSA-N	-1	0	276.256	0.090	20	30		CCEDRM
N#Cc1cccc(C(=O)N2CC[C@H]3C[C@]32C(N)=O)c1[O-]	ZINC001276215574	901973281	/nfs/dbraw/zinc/97/32/81/901973281.db2.gz	MEIUFWQVBIMXKS-LKFCYVNXSA-N	-1	0	271.276	0.354	20	30		CCEDRM
N#Cc1cccc(C(=O)N2CCC3(C[C@@H]3C(N)=O)CC2)c1[O-]	ZINC001276215948	901974528	/nfs/dbraw/zinc/97/45/28/901974528.db2.gz	SOQQSZWJHZWTGE-GFCCVEGCSA-N	-1	0	299.330	0.991	20	30		CCEDRM
N#Cc1cn(CC(=O)N[C@@H]2CCC[C@@H](F)C2)c(=O)[n-]c1=O	ZINC001413176412	902761848	/nfs/dbraw/zinc/76/18/48/902761848.db2.gz	DNEDXENVICSCTQ-NXEZZACHSA-N	-1	0	294.286	0.217	20	30		CCEDRM
CO[C@@]1(C(=O)Nc2nc(C#N)c(C#N)[n-]2)CCSC1	ZINC001413191796	902771185	/nfs/dbraw/zinc/77/11/85/902771185.db2.gz	GJJDUOFJSOCMAS-NSHDSACASA-N	-1	0	277.309	0.614	20	30		CCEDRM
Cc1cc(C#N)c(=O)[n-]c1C(=O)N1C[C@@H]2C[C@H]1C[S@@]2=O	ZINC001413228014	902799747	/nfs/dbraw/zinc/79/97/47/902799747.db2.gz	YYKFPMOPAKHULZ-VUPYVKPUSA-N	-1	0	291.332	0.313	20	30		CCEDRM
CC(C)n1nnc([N-]S(=O)(=O)CC2(CC#N)CC2)n1	ZINC001413438908	902950820	/nfs/dbraw/zinc/95/08/20/902950820.db2.gz	UBRZUGRXCBKBFJ-UHFFFAOYSA-N	-1	0	284.345	0.690	20	30		CCEDRM
C[C@H](C(=O)N(C)C)S(=O)(=O)[N-]c1cccc(CC#N)n1	ZINC001413461723	902966759	/nfs/dbraw/zinc/96/67/59/902966759.db2.gz	YOPNCVTWKIPVIV-SECBINFHSA-N	-1	0	296.352	0.366	20	30		CCEDRM
CCOC(=O)[C@H](C#N)[N-]S(=O)(=O)Cc1cccc(C)c1	ZINC001259751752	904067188	/nfs/dbraw/zinc/06/71/88/904067188.db2.gz	KJCPFNARCVGDMQ-LBPRGKRZSA-N	-1	0	296.348	0.870	20	30		CCEDRM
C#C[C@H](C)NS(=O)(=O)c1cc(C(=O)[O-])c(Cl)o1	ZINC001588369047	983310652	/nfs/dbraw/zinc/31/06/52/983310652.db2.gz	YXCZPMZDVYEMFN-YFKPBYRVSA-N	-1	0	277.685	0.931	20	30		CCEDRM
N#C[C@H](NC(=O)Cn1c(=O)[n-][nH]c1=O)c1ccc(F)cc1	ZINC001290517654	906125903	/nfs/dbraw/zinc/12/59/03/906125903.db2.gz	YPMKGQGYEQSNFC-VIFPVBQESA-N	-1	0	291.242	0.209	20	30		CCEDRM
C=CCCC(=O)NCCCNC(=O)c1[nH]nc(C)c1[O-]	ZINC001293185752	906441327	/nfs/dbraw/zinc/44/13/27/906441327.db2.gz	FWZRMPIJHCFMCW-UHFFFAOYSA-N	-1	0	280.328	0.626	20	30		CCEDRM
C#Cc1cncc(C(=O)N(C)C[C@H](C)c2nnn[n-]2)c1	ZINC001296063556	906859514	/nfs/dbraw/zinc/85/95/14/906859514.db2.gz	JIUVTIOIGWFNME-VIFPVBQESA-N	-1	0	270.296	0.452	20	30		CCEDRM
CC1CC(C#N)(C(=O)NCCc2n[n-]c(=S)o2)C1	ZINC001296731866	906953212	/nfs/dbraw/zinc/95/32/12/906953212.db2.gz	FPJWXWHMZRKRTF-UHFFFAOYSA-N	-1	0	266.326	0.957	20	30		CCEDRM
C=CCONC(=O)Cc1ccc(S(=O)(=O)CCO)cc1	ZINC001297989637	907137648	/nfs/dbraw/zinc/13/76/48/907137648.db2.gz	AIVQCVWWJHFOFS-UHFFFAOYSA-N	-1	0	299.348	0.229	20	30		CCEDRM
Cc1cc(C#N)c(=O)[n-]c1C(=O)NC[C@H]1CCCO1	ZINC001298133273	907158021	/nfs/dbraw/zinc/15/80/21/907158021.db2.gz	DVTWUQTYZUCWEN-SNVBAGLBSA-N	-1	0	261.281	0.876	20	30		CCEDRM
O=C(N[C@@H]1CCN(O)C1=O)c1ccnc(-c2ccccc2)n1	ZINC001298426862	907239460	/nfs/dbraw/zinc/23/94/60/907239460.db2.gz	QPNGWEXOGVDGDK-GFCCVEGCSA-N	-1	0	298.302	0.864	20	30		CCEDRM
C#C[C@H](CO)NC(=O)c1ccc([N+](=O)[O-])cc1[O-]	ZINC001298585338	907278716	/nfs/dbraw/zinc/27/87/16/907278716.db2.gz	NBLFBFIKAKCFTD-SSDOTTSWSA-N	-1	0	250.210	0.024	20	30		CCEDRM
C=C(C)C[N-]S(=O)(=O)c1ncccc1[N+](=O)[O-]	ZINC001309420548	908465539	/nfs/dbraw/zinc/46/55/39/908465539.db2.gz	STFREUZOXJJHKR-UHFFFAOYSA-N	-1	0	257.271	0.844	20	30		CCEDRM
COC[C@H](CCO)NC(=O)c1[n-]c(=O)c(C#N)cc1C	ZINC001417675289	921520517	/nfs/dbraw/zinc/52/05/17/921520517.db2.gz	CECFOEPUUAQAMP-JTQLQIEISA-N	-1	0	279.296	0.095	20	30		CCEDRM
Cc1nnc([S-])n(N=CC[C@@H]2CCOC2)c1=O	ZINC001319730623	910273585	/nfs/dbraw/zinc/27/35/85/910273585.db2.gz	UXXLNRWRDVVOQG-MRVPVSSYSA-N	-1	0	254.315	0.496	20	30		CCEDRM
C=CC[C@@H](NC(=O)c1nn(C)cc1[N+](=O)[O-])C(=O)[O-]	ZINC001321205140	911160389	/nfs/dbraw/zinc/16/03/89/911160389.db2.gz	UZKFWFITNITGEL-ZCFIWIBFSA-N	-1	0	268.229	0.087	20	30		CCEDRM
C=CC[C@@H](NC(=O)c1cccc([N+](=O)[O-])c1N)C(=O)[O-]	ZINC001321338974	911241760	/nfs/dbraw/zinc/24/17/60/911241760.db2.gz	MQCPBDDTIGGZBZ-MRVPVSSYSA-N	-1	0	279.252	0.936	20	30		CCEDRM
C=CC[C@H](NC(=O)c1cccc(OC)n1)C(=O)[O-]	ZINC001321658066	911427316	/nfs/dbraw/zinc/42/73/16/911427316.db2.gz	MVFRNLKMVLWQNL-VIFPVBQESA-N	-1	0	250.254	0.849	20	30		CCEDRM
C=CC[C@H](NC(=O)CNC(=O)CCC(C)C)C(=O)[O-]	ZINC001321658977	911428262	/nfs/dbraw/zinc/42/82/62/911428262.db2.gz	ZOMJJCBAVKWSLV-JTQLQIEISA-N	-1	0	270.329	0.684	20	30		CCEDRM
Cc1nnc([S-])n(N=Cc2cc(C(N)=O)cs2)c1=O	ZINC001322474244	911821646	/nfs/dbraw/zinc/82/16/46/911821646.db2.gz	FRAFGOMSDYVIDX-UHFFFAOYSA-N	-1	0	295.349	0.278	20	30		CCEDRM
C=CC[C@H](NC(=O)NC[C@@H](C)Cn1cccn1)C(=O)[O-]	ZINC001322515247	911842100	/nfs/dbraw/zinc/84/21/00/911842100.db2.gz	VWTKWQOSLNIULZ-MNOVXSKESA-N	-1	0	280.328	0.848	20	30		CCEDRM
CCN(C(=O)c1c[n-]n2c1nccc2=O)[C@@H](C)C#N	ZINC001329416970	915898976	/nfs/dbraw/zinc/89/89/76/915898976.db2.gz	PFEPKIDZOFURKJ-QMMMGPOBSA-N	-1	0	259.269	0.397	20	30		CCEDRM
C=CC[C@H](NC(=O)CN1CCCCC1=O)C(=O)[O-]	ZINC001330251038	916510514	/nfs/dbraw/zinc/51/05/14/916510514.db2.gz	BYUGWKUMYLESRS-VIFPVBQESA-N	-1	0	254.286	0.144	20	30		CCEDRM
C=CC[C@H](NC(=O)C1(OCC)CCOCC1)C(=O)[O-]	ZINC001330282270	916525381	/nfs/dbraw/zinc/52/53/81/916525381.db2.gz	ZACFNKLZLFDIJB-JTQLQIEISA-N	-1	0	271.313	0.718	20	30		CCEDRM
C=CCN(CCC#N)C(=O)c1c[n-]n2c1nccc2=O	ZINC001331006027	917018410	/nfs/dbraw/zinc/01/84/10/917018410.db2.gz	TXSWVTCMMYFHGJ-UHFFFAOYSA-N	-1	0	271.280	0.564	20	30		CCEDRM
C=C(C)C[C@@H](NC(=O)C[C@@H]1CCS(=O)(=O)C1)C(=O)[O-]	ZINC001331897696	917698400	/nfs/dbraw/zinc/69/84/00/917698400.db2.gz	YTGBTHRMWOKQFX-VHSXEESVSA-N	-1	0	289.353	0.347	20	30		CCEDRM
CC#CCS(=O)(=O)[N-]C(=O)c1cnn2cc(C)cnc12	ZINC001331924944	917721045	/nfs/dbraw/zinc/72/10/45/917721045.db2.gz	PXFPUHHDCJOXDY-UHFFFAOYSA-N	-1	0	292.320	0.121	20	30		CCEDRM
C=CC[C@H](NC(=O)c1c2c(nn1C)CCC2)C(=O)[O-]	ZINC001332135800	917894754	/nfs/dbraw/zinc/89/47/54/917894754.db2.gz	LKQNEOGSWWPFPQ-JTQLQIEISA-N	-1	0	263.297	0.668	20	30		CCEDRM
C=CC[C@@H](NC(=O)[C@H](C)Cc1cnn(C)c1)C(=O)[O-]	ZINC001332136846	917896069	/nfs/dbraw/zinc/89/60/69/917896069.db2.gz	RMNRSQIMOHEMMW-MWLCHTKSSA-N	-1	0	265.313	0.744	20	30		CCEDRM
C=CC(C)(C)CCCNC(=O)C(=O)NC[C@@H](C)C(=O)[O-]	ZINC001332166534	917927614	/nfs/dbraw/zinc/92/76/14/917927614.db2.gz	JZEWCQJADBGZEP-SNVBAGLBSA-N	-1	0	284.356	0.932	20	30		CCEDRM
N#CC1(C(=O)N2CC([C@H](F)C(=O)[O-])C2)CC2(CC2)C1	ZINC001332352441	918076008	/nfs/dbraw/zinc/07/60/08/918076008.db2.gz	QIOLTXOGNZPTKR-VIFPVBQESA-N	-1	0	266.272	0.951	20	30		CCEDRM
C#CCOc1ccccc1C[NH2+][C@@H](CC(=O)[O-])C(=O)[O-]	ZINC001332475946	918192399	/nfs/dbraw/zinc/19/23/99/918192399.db2.gz	HVGRUKRRRSMOJK-NSHDSACASA-N	-1	0	277.276	0.716	20	30		CCEDRM
C=CC[C@@H](NC(=O)[C@@H]1CCc2nnc(C)n2C1)C(=O)[O-]	ZINC001332613614	918311333	/nfs/dbraw/zinc/31/13/33/918311333.db2.gz	LBZSEUVETJHOPR-NXEZZACHSA-N	-1	0	278.312	0.294	20	30		CCEDRM
C=CC[C@@H](NC(=O)NCc1ccn(CC)n1)C(=O)[O-]	ZINC001333317899	918798608	/nfs/dbraw/zinc/79/86/08/918798608.db2.gz	KFJWMVHSORCLLU-SNVBAGLBSA-N	-1	0	266.301	0.732	20	30		CCEDRM
C=CC[C@@H](NC(=O)c1cc(OC)ns1)C(=O)[O-]	ZINC001333331502	918809881	/nfs/dbraw/zinc/80/98/81/918809881.db2.gz	AQCWIIREBOUWSC-ZCFIWIBFSA-N	-1	0	256.283	0.911	20	30		CCEDRM
Cc1[nH]nc(C=Nn2c(=O)c(C)n[n-]c2=S)c1C	ZINC001333642849	919064596	/nfs/dbraw/zinc/06/45/96/919064596.db2.gz	LMPRQBQZSLKGHG-UHFFFAOYSA-N	-1	0	264.314	0.458	20	30		CCEDRM
N#Cc1nc(NC(=O)c2cn(C3CC3)nn2)[n-]c1C#N	ZINC001334961927	919867500	/nfs/dbraw/zinc/86/75/00/919867500.db2.gz	MAQQPUNNNGJQPH-UHFFFAOYSA-N	-1	0	268.240	0.332	20	30		CCEDRM
CCn1[n-]nnc1=NC(=O)N(CCC#N)Cc1ccco1	ZINC001414447802	920324993	/nfs/dbraw/zinc/32/49/93/920324993.db2.gz	OFFRZMVZQHYZKI-UHFFFAOYSA-N	-1	0	289.299	0.656	20	30		CCEDRM
N#Cc1ccc(C(=O)NCc2nc(=O)o[n-]2)s1	ZINC001336475670	920794990	/nfs/dbraw/zinc/79/49/90/920794990.db2.gz	RQOAZEVRPNZQRG-UHFFFAOYSA-N	-1	0	250.239	0.226	20	30		CCEDRM
C#C[C@H]1CC[C@H](NC(=O)C(=O)[N-]OC[C@@H]2CCOC2)CC1	ZINC001336692530	920934209	/nfs/dbraw/zinc/93/42/09/920934209.db2.gz	RKOCXWYYFWCZOK-JHJVBQTASA-N	-1	0	294.351	0.379	20	30		CCEDRM
C=CCO[N-]C(=O)C(=O)Nc1ccnn1[C@@H]1CCCOC1	ZINC001336804789	921022800	/nfs/dbraw/zinc/02/28/00/921022800.db2.gz	VSQSDURGIOFZAA-SNVBAGLBSA-N	-1	0	294.311	0.407	20	30		CCEDRM
C#CC[C@H]1CCCN(c2nnc(-c3cc(=O)[nH][n-]3)n2C)C1	ZINC001339858434	921853894	/nfs/dbraw/zinc/85/38/94/921853894.db2.gz	NADAXORBUJUODQ-JTQLQIEISA-N	-1	0	286.339	0.279	20	30		CCEDRM
C=C(C)C[C@H](CO)NC(=O)NCC1(C(=O)[O-])CCC1	ZINC001339926923	921881290	/nfs/dbraw/zinc/88/12/90/921881290.db2.gz	PQFDIGFRGLENCL-SNVBAGLBSA-N	-1	0	270.329	0.868	20	30		CCEDRM
C[C@@H](O)c1ncc(C(=O)Nc2nc(C#N)c(C#N)[n-]2)s1	ZINC001418238723	921951538	/nfs/dbraw/zinc/95/15/38/921951538.db2.gz	QQJPBEDFMRKCPH-RXMQYKEDSA-N	-1	0	288.292	0.915	20	30		CCEDRM
Cc1nnc(N=NC(C)[C@H]2COCCO2)[n-]c1=O	ZINC001340356674	922065583	/nfs/dbraw/zinc/06/55/83/922065583.db2.gz	LSVVFSQGOOSIPE-MRVPVSSYSA-N	-1	0	253.262	0.089	20	30		CCEDRM
C=CCNC(=O)C(C#N)=C([O-])c1nn(C)c2c1CCCC2	ZINC001341948874	922734743	/nfs/dbraw/zinc/73/47/43/922734743.db2.gz	YUVHZGQIJYHYOY-LLVKDONJSA-N	-1	0	286.335	0.924	20	30		CCEDRM
COCCNC(=O)C(C#N)=C([O-])c1ocnc1C	ZINC001342595212	923017908	/nfs/dbraw/zinc/01/79/08/923017908.db2.gz	INXXILNPXHLCDK-QMMMGPOBSA-N	-1	0	251.242	0.068	20	30		CCEDRM
C=CCNC(=O)C(C#N)=C([O-])c1cncc(COC)c1	ZINC001343365831	923285441	/nfs/dbraw/zinc/28/54/41/923285441.db2.gz	KFIKIPFFRYQWDK-GFCCVEGCSA-N	-1	0	273.292	0.853	20	30		CCEDRM
C#CCN(CC)c1nnc(-c2cc(=O)[nH][n-]2)n1CC(C)C	ZINC001343541179	923366722	/nfs/dbraw/zinc/36/67/22/923366722.db2.gz	OHLGXLSCUIPQAI-UHFFFAOYSA-N	-1	0	288.355	0.618	20	30		CCEDRM
Cc1cc(NC(=O)C(=O)[N-]OCC2CC2)nn1CCC#N	ZINC001343940720	923510163	/nfs/dbraw/zinc/51/01/63/923510163.db2.gz	YLKANPGHDBGUSW-UHFFFAOYSA-N	-1	0	291.311	0.502	20	30		CCEDRM
C=CC[C@@H](NC(=O)[C@@H]1CCCN1C(=O)NC(C)C)C(=O)[O-]	ZINC001344551401	923635792	/nfs/dbraw/zinc/63/57/92/923635792.db2.gz	BNQHNJHONNJMPS-MNOVXSKESA-N	-1	0	297.355	0.714	20	30		CCEDRM
CC(C)NC(=S)NN=Cc1cc(C(=O)[O-])nn1C	ZINC001345042046	923771537	/nfs/dbraw/zinc/77/15/37/923771537.db2.gz	LEABCTPPGRVTKE-UHFFFAOYSA-N	-1	0	269.330	0.325	20	30		CCEDRM
N#CC1(C(=O)NC[C@H](C(=O)[O-])[C@H]2CCOC2)CCC1	ZINC001345171223	923821428	/nfs/dbraw/zinc/82/14/28/923821428.db2.gz	PFMVNNFTFYKXAR-UWVGGRQHSA-N	-1	0	266.297	0.534	20	30		CCEDRM
CCn1ncc(C([O-])=C(C#N)C(=O)NC)c1Br	ZINC001346121898	924079825	/nfs/dbraw/zinc/07/98/25/924079825.db2.gz	NLZVDWKOTHWQER-LURJTMIESA-N	-1	0	299.128	0.734	20	30		CCEDRM
C#CCCCS(=O)(=O)N1CCc2nc[nH]c(=O)c2C1	ZINC001346165156	924092848	/nfs/dbraw/zinc/09/28/48/924092848.db2.gz	KPHNCOIYSKXWDD-UHFFFAOYSA-N	-1	0	281.337	0.284	20	30		CCEDRM
CNC(=O)C(C#N)=C([O-])c1cc(C(F)(F)F)n(C)n1	ZINC001346293367	924148186	/nfs/dbraw/zinc/14/81/86/924148186.db2.gz	GJDUOITZUMMRGA-RXMQYKEDSA-N	-1	0	274.202	0.507	20	30		CCEDRM
COCCNC(=O)C(C#N)=C([O-])c1cccc(C)n1	ZINC001347062929	924363060	/nfs/dbraw/zinc/36/30/60/924363060.db2.gz	FATJXTBFQXHVAK-JTQLQIEISA-N	-1	0	261.281	0.475	20	30		CCEDRM
C=CCCO[N-]C(=O)Cc1n[nH]c(C2CCOCC2)n1	ZINC001347122219	924375929	/nfs/dbraw/zinc/37/59/29/924375929.db2.gz	XCHNMMMTTHUFSH-UHFFFAOYSA-N	-1	0	280.328	0.865	20	30		CCEDRM
C=CCC[C@@H](NC(=O)CN1CCC(CO)CC1)C(=O)[O-]	ZINC001347548346	924477050	/nfs/dbraw/zinc/47/70/50/924477050.db2.gz	QPFJKZNYZRVWSV-GFCCVEGCSA-N	-1	0	284.356	0.226	20	30		CCEDRM
C#CCCCC(=O)N[C@H](C(=O)[O-])[C@H](O)c1ccncc1	ZINC001349944907	925101881	/nfs/dbraw/zinc/10/18/81/925101881.db2.gz	ROXJKDRZFGOABH-QWHCGFSZSA-N	-1	0	276.292	0.488	20	30		CCEDRM
C=C(C)C[C@H](NC(C)=O)C(=O)[N-]S(=O)(=O)C(C)(C)C	ZINC001350321211	925170989	/nfs/dbraw/zinc/17/09/89/925170989.db2.gz	HOUUYKQNHZWDJO-JTQLQIEISA-N	-1	0	290.385	0.702	20	30		CCEDRM
C=CC[C@@H](NC(=O)c1ccn(C2CCOCC2)n1)C(=O)[O-]	ZINC001351728991	925462655	/nfs/dbraw/zinc/46/26/55/925462655.db2.gz	KWJVYBAVFBOQBA-GFCCVEGCSA-N	-1	0	293.323	0.994	20	30		CCEDRM
C=CC[C@H](NC(=O)c1cnn(CC)c1C)C(=O)[O-]	ZINC001354048087	925995984	/nfs/dbraw/zinc/99/59/84/925995984.db2.gz	WNHHSKXJVGCMGV-JTQLQIEISA-N	-1	0	251.286	0.971	20	30		CCEDRM
C=CCO[C@H]1CCN(C(=O)C(=O)NC[C@H](CC)C(=O)[O-])C1	ZINC001354271259	926066314	/nfs/dbraw/zinc/06/63/14/926066314.db2.gz	WELCPDISAJPBIF-QWRGUYRKSA-N	-1	0	298.339	0.017	20	30		CCEDRM
C=CC[C@H](NC(=O)c1ccc(S(C)(=O)=O)cc1)C(=O)[O-]	ZINC000149991673	926944001	/nfs/dbraw/zinc/94/40/01/926944001.db2.gz	WOCGKZOWOBYCLO-NSHDSACASA-N	-1	0	297.332	0.849	20	30		CCEDRM
C=CC[C@@H](NC(=O)[C@H](C)NC(=O)c1ccccc1)C(=O)[O-]	ZINC000150002716	926945037	/nfs/dbraw/zinc/94/50/37/926945037.db2.gz	CRLIVCFGRKEECF-CMPLNLGQSA-N	-1	0	290.319	0.950	20	30		CCEDRM
CN(C(=O)[C@](C)(C#N)CC(=O)OC(C)(C)C)c1nnn[n-]1	ZINC001361667522	927233097	/nfs/dbraw/zinc/23/30/97/927233097.db2.gz	RQVUVUNRKHSQCH-LBPRGKRZSA-N	-1	0	294.315	0.424	20	30		CCEDRM
COC(=O)[C@@H]1CCN(C(=O)c2[n-]c(=O)c(C#N)cc2C)C1	ZINC001361975679	927491025	/nfs/dbraw/zinc/49/10/25/927491025.db2.gz	RABNLOFNFRQWEK-SECBINFHSA-N	-1	0	289.291	0.602	20	30		CCEDRM
CCC(C)(C)CNC(=O)CCn1cc(C#N)c(=O)[n-]c1=O	ZINC001362354149	927913547	/nfs/dbraw/zinc/91/35/47/927913547.db2.gz	NTMNTXAQQWBGOF-UHFFFAOYSA-N	-1	0	292.339	0.763	20	30		CCEDRM
Cc1cncc(NC(=O)CCn2cc(C#N)c(=O)[n-]c2=O)c1	ZINC001362386553	927952199	/nfs/dbraw/zinc/95/21/99/927952199.db2.gz	PEYMBPFRHHOWTD-UHFFFAOYSA-N	-1	0	299.290	0.553	20	30		CCEDRM
COC[C@@H](O)CCNC(=O)c1[n-]c(=O)c(C#N)cc1C	ZINC001362435001	928015758	/nfs/dbraw/zinc/01/57/58/928015758.db2.gz	QMBVRVZNRVVXMH-JTQLQIEISA-N	-1	0	279.296	0.095	20	30		CCEDRM
C[C@@]1(C#N)CCN(C(=O)c2cccc(-n3[n-]nnc3=N)c2)C1	ZINC001362713058	928397538	/nfs/dbraw/zinc/39/75/38/928397538.db2.gz	UINJRVXRRXSXQP-AWEZNQCLSA-N	-1	0	297.322	0.451	20	30		CCEDRM
Cc1cc(NC(=O)Cn2cc(C#N)c(=O)[n-]c2=O)cs1	ZINC001362716171	928402194	/nfs/dbraw/zinc/40/21/94/928402194.db2.gz	OJZIPHLDDLJNMW-UHFFFAOYSA-N	-1	0	290.304	0.829	20	30		CCEDRM
Cc1cc(C#N)c(=O)[n-]c1C(=O)NC[C@@]1(C)CCC(=O)N1	ZINC001362814494	928525423	/nfs/dbraw/zinc/52/54/23/928525423.db2.gz	VUHJKPVIIFXDLO-CQSZACIVSA-N	-1	0	288.307	0.366	20	30		CCEDRM
Cc1cc(NC(=O)Cn2cc(C#N)c(=O)[n-]c2=O)cnc1C	ZINC001362824637	928537124	/nfs/dbraw/zinc/53/71/24/928537124.db2.gz	LVRLKIYDRHHGOL-UHFFFAOYSA-N	-1	0	299.290	0.471	20	30		CCEDRM
Cc1cc(C#N)c(=O)[n-]c1C(=O)N(CCO)CC(F)F	ZINC001362837866	928553377	/nfs/dbraw/zinc/55/33/77/928553377.db2.gz	RPQUZSVAGCKTNI-UHFFFAOYSA-N	-1	0	285.250	0.667	20	30		CCEDRM
CC[C@](C)(NC(=O)Cn1cc(C#N)c(=O)[n-]c1=O)C1CC1	ZINC001363087591	928853828	/nfs/dbraw/zinc/85/38/28/928853828.db2.gz	IVDZIELJDRKJBH-AWEZNQCLSA-N	-1	0	290.323	0.515	20	30		CCEDRM
Cc1cc(C#N)c(=O)[n-]c1C(=O)NC[C@@H](CO)C(C)C	ZINC001363161651	928934120	/nfs/dbraw/zinc/93/41/20/928934120.db2.gz	RMQPBHVTAAPXQL-NSHDSACASA-N	-1	0	277.324	0.962	20	30		CCEDRM
N#Cc1cn(CCNC(=O)C2(F)CCCC2)c(=O)[n-]c1=O	ZINC001363481454	929285737	/nfs/dbraw/zinc/28/57/37/929285737.db2.gz	FUDRCLNVAWHDQL-UHFFFAOYSA-N	-1	0	294.286	0.219	20	30		CCEDRM
C[C@H](C(=O)N[C@@H](C)c1nn(C)cc1[O-])n1cnc(C#N)n1	ZINC001363664271	929467017	/nfs/dbraw/zinc/46/70/17/929467017.db2.gz	JWUQMSUSFSJLAM-JGVFFNPUSA-N	-1	0	289.299	0.027	20	30		CCEDRM
Cn1c(=O)[n-]c(N[C@@H](CO)c2ccccc2)c(C#N)c1=O	ZINC001363743700	929538496	/nfs/dbraw/zinc/53/84/96/929538496.db2.gz	SMYBNUDIBFQRFS-NSHDSACASA-N	-1	0	286.291	0.091	20	30		CCEDRM
CCN(CCC(=O)NC)C(=O)c1[n-]c(=O)c(C#N)cc1C	ZINC001363823398	929617581	/nfs/dbraw/zinc/61/75/81/929617581.db2.gz	YEGLOXGPQLFAEP-UHFFFAOYSA-N	-1	0	290.323	0.566	20	30		CCEDRM
CO[C@@H]1CC[C@@H](NC(=O)[C@](C)(C#N)CC(=O)[O-])C1	ZINC001610990554	970831098	/nfs/dbraw/zinc/83/10/98/970831098.db2.gz	BCCHGDFYYSXFLJ-LNLATYFQSA-N	-1	0	254.286	0.675	20	30		CCEDRM
N#CCN(CC#N)C(=O)c1cccc(OCC(=O)[O-])c1	ZINC001601069598	970927293	/nfs/dbraw/zinc/92/72/93/970927293.db2.gz	FXCSMZUEPYEMRR-UHFFFAOYSA-N	-1	0	273.248	0.639	20	30		CCEDRM
N#Cc1ccsc1NC(=O)CN[C@]1(C(=O)[O-])CCOC1	ZINC001601129726	970939969	/nfs/dbraw/zinc/93/99/69/970939969.db2.gz	PTQWOXFJYYPMDL-GFCCVEGCSA-N	-1	0	295.320	0.392	20	30		CCEDRM
C#C[C@@H]1CCCCN1C(=O)C(=O)N(C)C[C@H](C)C(=O)[O-]	ZINC001602671859	971235138	/nfs/dbraw/zinc/23/51/38/971235138.db2.gz	HCYONNXBXLQODU-WDEREUQCSA-N	-1	0	280.324	0.180	20	30		CCEDRM
C#CC[C@@H](COC)OC(=O)C1(CC(=O)[O-])CCOCC1	ZINC001602675553	971250928	/nfs/dbraw/zinc/25/09/28/971250928.db2.gz	ZRYLZIGZSOEUJH-NSHDSACASA-N	-1	0	284.308	0.839	20	30		CCEDRM
C#CCN(CC(=O)[O-])C(=O)C[C@H](C)n1nc(C)cc1C	ZINC001602682972	971270581	/nfs/dbraw/zinc/27/05/81/971270581.db2.gz	XFVVGFDJQGYQOH-LBPRGKRZSA-N	-1	0	277.324	0.997	20	30		CCEDRM
C#CCN(CC(=O)[O-])C(=O)C[C@@H](C)n1nc(C)cc1C	ZINC001602682965	971270689	/nfs/dbraw/zinc/27/06/89/971270689.db2.gz	XFVVGFDJQGYQOH-GFCCVEGCSA-N	-1	0	277.324	0.997	20	30		CCEDRM
C#CCN(CC(=O)[O-])C(=O)NCCCC(=O)OC(C)C	ZINC001602686207	971286288	/nfs/dbraw/zinc/28/62/88/971286288.db2.gz	VDSDBJXWDVYAAI-UHFFFAOYSA-N	-1	0	284.312	0.448	20	30		CCEDRM
C#CCN(CC(=O)[O-])C(=O)NCCOc1ccccc1F	ZINC001602686259	971287738	/nfs/dbraw/zinc/28/77/38/971287738.db2.gz	YDOIGPZVJDIRHQ-UHFFFAOYSA-N	-1	0	294.282	0.934	20	30		CCEDRM
C#CCN(CC(=O)[O-])C(=O)c1ccc(C(=O)N(C)C)cc1	ZINC001602691362	971295625	/nfs/dbraw/zinc/29/56/25/971295625.db2.gz	IHZSMEFUOQKEMI-UHFFFAOYSA-N	-1	0	288.303	0.548	20	30		CCEDRM
C#CCN(CC(=O)[O-])C(=O)c1[nH]cnc1C(F)(F)F	ZINC001602692081	971299797	/nfs/dbraw/zinc/29/97/97/971299797.db2.gz	DZEZHRZFBXVLRU-UHFFFAOYSA-N	-1	0	275.186	0.589	20	30		CCEDRM
C#CCN(CC(=O)[O-])C(=O)c1cn(C)c(=O)c2ccccc12	ZINC001602692264	971300932	/nfs/dbraw/zinc/30/09/32/971300932.db2.gz	ISWGDUIKCSOJJE-UHFFFAOYSA-N	-1	0	298.298	0.699	20	30		CCEDRM
C#CCN(CC(=O)[O-])C(=O)c1ccc2c(c1)nc(C)[nH]c2=O	ZINC001602692516	971303169	/nfs/dbraw/zinc/30/31/69/971303169.db2.gz	RWIFSXXEPIYGPN-UHFFFAOYSA-N	-1	0	299.286	0.804	20	30		CCEDRM
C#CCN(CC(=O)[O-])CC(=O)Nc1ccc(Cl)nc1	ZINC001602695654	971309916	/nfs/dbraw/zinc/30/99/16/971309916.db2.gz	OEAGSQGVBUTOLU-UHFFFAOYSA-N	-1	0	281.699	0.693	20	30		CCEDRM
C#CCN(CC(=O)[O-])S(=O)(=O)c1ccccc1CC#N	ZINC001602698999	971313645	/nfs/dbraw/zinc/31/36/45/971313645.db2.gz	AARNEEXJVNNGCE-UHFFFAOYSA-N	-1	0	292.316	0.461	20	30		CCEDRM
C#CCN(CC(=O)[O-])Cc1nnc(-c2ccccc2O)o1	ZINC001602699052	971315135	/nfs/dbraw/zinc/31/51/35/971315135.db2.gz	DLEWKINOVQPAQS-UHFFFAOYSA-N	-1	0	287.275	0.962	20	30		CCEDRM
C=C[C@](C)(CC)C(=O)Nc1ncn(CC(=O)[O-])n1	ZINC001602717367	971366261	/nfs/dbraw/zinc/36/62/61/971366261.db2.gz	KDZFVIPHZQIMPB-LLVKDONJSA-N	-1	0	252.274	0.904	20	30		CCEDRM
C=C[C@@H](COC)NC(=O)C(=O)N1CCC[C@@H](CC(=O)[O-])C1	ZINC001602717307	971366334	/nfs/dbraw/zinc/36/63/34/971366334.db2.gz	IARXXALIKDRSAZ-QWRGUYRKSA-N	-1	0	298.339	0.017	20	30		CCEDRM
C=CC[C@H](NC(=O)[C@@](C)(OC)C(=O)[O-])C(=O)OCC	ZINC001602718375	971374109	/nfs/dbraw/zinc/37/41/09/971374109.db2.gz	KXSLLOHVHVEWLQ-QPUJVOFHSA-N	-1	0	273.285	0.100	20	30		CCEDRM
C=CCN(CCOC)C(=O)[C@@](C)(C#N)CC(=O)[O-]	ZINC001602722799	971389086	/nfs/dbraw/zinc/38/90/86/971389086.db2.gz	QEQCVIFXHMPSJW-GFCCVEGCSA-N	-1	0	254.286	0.652	20	30		CCEDRM
C=CCOCc1nnc(N2CC[C@@H](C(=O)[O-])C2)n1CC	ZINC001602728740	971396440	/nfs/dbraw/zinc/39/64/40/971396440.db2.gz	APPHBTMIHLXPCT-SNVBAGLBSA-N	-1	0	280.328	0.912	20	30		CCEDRM
CC#CC[C@@H](CO)NC(=O)[C@]1(C(=O)[O-])CC=CCC1	ZINC001602735163	971417269	/nfs/dbraw/zinc/41/72/69/971417269.db2.gz	UOJYNLCQIDAVCD-FZMZJTMJSA-N	-1	0	265.309	0.688	20	30		CCEDRM
C[C@@](C#N)(CC(=O)[O-])C(=O)N[C@H]1Cc2cccc(O)c2C1	ZINC001602780543	971518647	/nfs/dbraw/zinc/51/86/47/971518647.db2.gz	ISLSXRKZBYSSBE-BONVTDFDSA-N	-1	0	288.303	0.980	20	30		CCEDRM
C[C@@](C#N)(CC(=O)[O-])C(=O)NCCO[C@H]1CCCCO1	ZINC001602781389	971523529	/nfs/dbraw/zinc/52/35/29/971523529.db2.gz	YTSSKUDDKQDZDT-AAEUAGOBSA-N	-1	0	284.312	0.650	20	30		CCEDRM
C[C@@](C#N)(CC(=O)[O-])C(=O)NCC[C@@H](O)C1CC1	ZINC001602781420	971524487	/nfs/dbraw/zinc/52/44/87/971524487.db2.gz	ZYBAKOGDQUCOGI-SKDRFNHKSA-N	-1	0	254.286	0.268	20	30		CCEDRM
C[C@@](C#N)(CC(=O)[O-])C(=O)Nc1cccc(C#N)n1	ZINC001602782303	971528279	/nfs/dbraw/zinc/52/82/79/971528279.db2.gz	SPZQRNGTHFOSSK-LBPRGKRZSA-N	-1	0	258.237	0.896	20	30		CCEDRM
C[C@](O)(CNC(=O)Nc1cccc(C#N)c1)C(=O)[O-]	ZINC000090276685	949120063	/nfs/dbraw/zinc/12/00/63/949120063.db2.gz	VIQHWOHEOHMRHL-LBPRGKRZSA-N	-1	0	263.253	0.515	20	30		CCEDRM
C#CCN(CC(=O)[O-])C[C@H](O)COCc1ccccc1	ZINC000092482681	949154679	/nfs/dbraw/zinc/15/46/79/949154679.db2.gz	YIQGRAMXLQYIGO-AWEZNQCLSA-N	-1	0	277.320	0.584	20	30		CCEDRM
C#CCN(CC(=O)[O-])C(=O)c1ccc(F)cc1[N+](=O)[O-]	ZINC000159468692	949375538	/nfs/dbraw/zinc/37/55/38/949375538.db2.gz	OJTARDNBRIHHNH-UHFFFAOYSA-N	-1	0	280.211	0.894	20	30		CCEDRM
CCC[C@H](CNC(=O)[C@@](C)(C#N)CC(=O)[O-])OC	ZINC001589632511	949566092	/nfs/dbraw/zinc/56/60/92/949566092.db2.gz	UGLXGOJYPMXCGW-BXKDBHETSA-N	-1	0	256.302	0.922	20	30		CCEDRM
CC(C)N(CCC#N)C(=O)[C@@H]1CC(C(=O)[O-])=NO1	ZINC000230758568	949706810	/nfs/dbraw/zinc/70/68/10/949706810.db2.gz	GOKADLMNEKBCMM-VIFPVBQESA-N	-1	0	253.258	0.367	20	30		CCEDRM
C#CCN(CC(=O)[O-])C(=O)NCC1(COC)CCC1	ZINC000311637293	950741373	/nfs/dbraw/zinc/74/13/73/950741373.db2.gz	KFRNJJCTSBZZHR-UHFFFAOYSA-N	-1	0	268.313	0.533	20	30		CCEDRM
C#CCN(CC(=O)[O-])C(=O)NC[C@@](C)(OC)C1CC1	ZINC000388590914	951334502	/nfs/dbraw/zinc/33/45/02/951334502.db2.gz	LUFUYYXGBSPIQF-CYBMUJFWSA-N	-1	0	268.313	0.531	20	30		CCEDRM
C=CCCCCNC(=O)NCCn1cc(C(=O)[O-])nn1	ZINC000383714849	971888242	/nfs/dbraw/zinc/88/82/42/971888242.db2.gz	IDUKSJNFYZOYAZ-UHFFFAOYSA-N	-1	0	281.316	0.632	20	30		CCEDRM
CC(C)C#CC(=O)N1C[C@H]2COC[C@@]2(C(=O)[O-])C1	ZINC001602959147	971940991	/nfs/dbraw/zinc/94/09/91/971940991.db2.gz	RPBMWARRJQRNAJ-GWCFXTLKSA-N	-1	0	251.282	0.205	20	30		CCEDRM
C[C@@H]1CCC(=O)CN1C(=O)[C@@](C)(C#N)CC(=O)[O-]	ZINC001589300483	953689946	/nfs/dbraw/zinc/68/99/46/953689946.db2.gz	WNHWWTBJTKAZRC-PRHODGIISA-N	-1	0	252.270	0.571	20	30		CCEDRM
CN(CC(=O)[O-])Cc1cn(Cc2ccccc2C#N)nn1	ZINC001593722329	954259038	/nfs/dbraw/zinc/25/90/38/954259038.db2.gz	BHVLSNHCBWPYCO-UHFFFAOYSA-N	-1	0	285.307	0.714	20	30		CCEDRM
Cn1c(CCCC#N)nnc1N1CC[C@@](C)(C(=O)[O-])C1	ZINC001594518566	955443261	/nfs/dbraw/zinc/44/32/61/955443261.db2.gz	IDRXGLXCXBPYFW-CYBMUJFWSA-N	-1	0	277.328	0.962	20	30		CCEDRM
C[C@H](CNC(=O)N[C@H](CC#N)C(F)(F)F)C(=O)[O-]	ZINC001589050544	955656059	/nfs/dbraw/zinc/65/60/59/955656059.db2.gz	FZYKHNNVBGKNNW-PHDIDXHHSA-N	-1	0	267.207	0.851	20	30		CCEDRM
Cn1nc(Br)cc1C=NNCCC(=O)[O-]	ZINC001594560663	955807605	/nfs/dbraw/zinc/80/76/05/955807605.db2.gz	YWIJHMWVCUOTAR-UHFFFAOYSA-N	-1	0	275.106	0.581	20	30		CCEDRM
Cn1nc(C(=O)[O-])cc1C(=O)N1CC[C@@](F)(C#N)C1	ZINC001594563386	955814038	/nfs/dbraw/zinc/81/40/38/955814038.db2.gz	CGNITFGUGUZKOV-LLVKDONJSA-N	-1	0	266.232	0.196	20	30		CCEDRM
C[C@H](NC(=O)[C@](C)(C#N)CC(=O)[O-])c1ccnn1C	ZINC001589088448	955918579	/nfs/dbraw/zinc/91/85/79/955918579.db2.gz	WHJFHHGFWQNLLX-UFBFGSQYSA-N	-1	0	264.285	0.602	20	30		CCEDRM
CO[C@H](C(=O)[O-])C(=O)Nc1nc2cc(C#N)ccc2[nH]1	ZINC001593916556	956027121	/nfs/dbraw/zinc/02/71/21/956027121.db2.gz	XBOSRWCPZHIKNE-VIFPVBQESA-N	-1	0	274.236	0.473	20	30		CCEDRM
CO[C@H](C(=O)[O-])C(=O)OCc1ccnc(C#N)c1	ZINC001593917370	956036925	/nfs/dbraw/zinc/03/69/25/956036925.db2.gz	FWLMGVIABBWKHD-SECBINFHSA-N	-1	0	250.210	0.096	20	30		CCEDRM
N#CC1(COC(=O)C2(CC(=O)[O-])CCC2)COC1	ZINC001594603367	956154461	/nfs/dbraw/zinc/15/44/61/956154461.db2.gz	BHXJAUPFWAIRRI-UHFFFAOYSA-N	-1	0	253.254	0.715	20	30		CCEDRM
N#CCCN1CCN(c2cc(C(=O)[O-])ccn2)CC1	ZINC001594610471	956203844	/nfs/dbraw/zinc/20/38/44/956203844.db2.gz	UYZXJXAZHXXYBN-UHFFFAOYSA-N	-1	0	260.297	0.815	20	30		CCEDRM
N#Cc1cc(NC(=O)N2CCO[C@H](C(=O)[O-])C2)ccn1	ZINC001594615481	956233066	/nfs/dbraw/zinc/23/30/66/956233066.db2.gz	APCLHLLUSMSAIE-JTQLQIEISA-N	-1	0	276.252	0.271	20	30		CCEDRM
C[C@@](O)(CNC(=O)C(=O)/C=C/c1ccc(F)cc1)C(=O)[O-]	ZINC001589138701	956252051	/nfs/dbraw/zinc/25/20/51/956252051.db2.gz	SXMBYGKHRXOKCD-BTKRWWFXSA-N	-1	0	295.266	0.360	20	30		CCEDRM
N#Cc1ccc(CNC(=O)[C@H](C(=O)[O-])C2CC2)nc1	ZINC001594621066	956283168	/nfs/dbraw/zinc/28/31/68/956283168.db2.gz	ZZXXPRZKCRZYKQ-LLVKDONJSA-N	-1	0	259.265	0.680	20	30		CCEDRM
N#Cc1ccc(S(=O)(=O)NC2(CC(=O)[O-])CCC2)o1	ZINC001594624978	956305198	/nfs/dbraw/zinc/30/51/98/956305198.db2.gz	FQOPNYNOKJHPHM-UHFFFAOYSA-N	-1	0	284.293	0.827	20	30		CCEDRM
N#Cc1cccnc1NCCNC(=O)CCC(=O)[O-]	ZINC001594631924	956348436	/nfs/dbraw/zinc/34/84/36/956348436.db2.gz	RTCVCCSGXPSMMR-UHFFFAOYSA-N	-1	0	262.269	0.346	20	30		CCEDRM
N#Cc1cnccc1S[C@@H]1CCN(CC(=O)[O-])C1=O	ZINC001594633999	956360299	/nfs/dbraw/zinc/36/02/99/956360299.db2.gz	BKOAQGFGWYAXOU-SNVBAGLBSA-N	-1	0	277.305	0.731	20	30		CCEDRM
C[C@@]1(C(=O)[O-])CCN(C(=O)c2ccnc(C#N)c2)C1	ZINC001589196606	956615008	/nfs/dbraw/zinc/61/50/08/956615008.db2.gz	AYOKEEDWLOAAHP-CYBMUJFWSA-N	-1	0	259.265	0.890	20	30		CCEDRM
COCCN(CCC(=O)[O-])C(=O)[C@@]1(C#N)CCCOC1	ZINC001594000790	956927298	/nfs/dbraw/zinc/92/72/98/956927298.db2.gz	DPCGWVMGMJUCRZ-CYBMUJFWSA-N	-1	0	284.312	0.256	20	30		CCEDRM
N#CCCNC(=O)CSc1ncccc1C(=O)[O-]	ZINC000019390012	957108535	/nfs/dbraw/zinc/10/85/35/957108535.db2.gz	ODWNCFVXNFCQON-UHFFFAOYSA-N	-1	0	265.294	0.902	20	30		CCEDRM
C#CC[C@H](NC(=O)Cc1cccc([N+](=O)[O-])c1)C(=O)[O-]	ZINC000059982452	957568832	/nfs/dbraw/zinc/56/88/32/957568832.db2.gz	XRMGPFMGNQPXSX-NSHDSACASA-N	-1	0	276.248	0.730	20	30		CCEDRM
Cc1cc(C#N)cnc1C(=O)N1CCO[C@@H](C(=O)[O-])C1	ZINC001594274448	957709470	/nfs/dbraw/zinc/70/94/70/957709470.db2.gz	LTRVACJNHRMDJI-SNVBAGLBSA-N	-1	0	275.264	0.187	20	30		CCEDRM
N#CCCNC(=O)CN1CCCCC[C@H]1C(=O)[O-]	ZINC000080992583	957776488	/nfs/dbraw/zinc/77/64/88/957776488.db2.gz	HROOUHDSTVCCMB-JTQLQIEISA-N	-1	0	253.302	0.345	20	30		CCEDRM
C#CC1(NC(=O)c2cc(C(=O)[O-])nn2C)CCCC1	ZINC001588385780	957973705	/nfs/dbraw/zinc/97/37/05/957973705.db2.gz	IINJBLKYMWXXCY-UHFFFAOYSA-N	-1	0	261.281	0.794	20	30		CCEDRM
C#C[C@@H](NC(=O)c1cccn(CC(=O)[O-])c1=O)C(C)(C)C	ZINC001588386139	957976279	/nfs/dbraw/zinc/97/62/79/957976279.db2.gz	OHMHCGIMUZPNKE-LLVKDONJSA-N	-1	0	290.319	0.711	20	30		CCEDRM
C#C[C@H](CC)NC(=O)C(=O)Nc1cccc(C(=O)[O-])c1	ZINC001588386585	957979259	/nfs/dbraw/zinc/97/92/59/957979259.db2.gz	BWMVQBJIHPLWHE-SNVBAGLBSA-N	-1	0	274.276	0.851	20	30		CCEDRM
C#CCCCC(=O)N(CCNC(C)=O)[C@@H](C)C(=O)[O-]	ZINC001588392399	958033586	/nfs/dbraw/zinc/03/35/86/958033586.db2.gz	ZNPQZIYWGJPNCH-JTQLQIEISA-N	-1	0	268.313	0.228	20	30		CCEDRM
C#CCCOc1ccc(C(=O)NC[C@@](C)(O)C(=O)[O-])cc1	ZINC001588395500	958041363	/nfs/dbraw/zinc/04/13/63/958041363.db2.gz	GYQXVKZUZQPODN-OAHLLOKOSA-N	-1	0	291.303	0.654	20	30		CCEDRM
C#CCN(CC(=O)[O-])C(=O)C(=O)Nc1ccc(Cl)cn1	ZINC001588396221	958047519	/nfs/dbraw/zinc/04/75/19/958047519.db2.gz	XBNPKSRUCQFJNL-UHFFFAOYSA-N	-1	0	295.682	0.220	20	30		CCEDRM
C#CCN(CC(=O)[O-])C(=O)[C@@H](C)OC[C@H]1CCCCO1	ZINC001588397323	958054234	/nfs/dbraw/zinc/05/42/34/958054234.db2.gz	DLUHHJXUZPVDFQ-VXGBXAGGSA-N	-1	0	283.324	0.507	20	30		CCEDRM
C#CCN(CC(=O)[O-])C(=O)[C@H]1CCCc2n[nH]cc21	ZINC001588399195	958071732	/nfs/dbraw/zinc/07/17/32/958071732.db2.gz	HCAOGKNJRIJMHI-VIFPVBQESA-N	-1	0	261.281	0.376	20	30		CCEDRM
N#Cc1cc(NCCn2cc(C(=O)[O-])nn2)ccn1	ZINC000089696563	958081103	/nfs/dbraw/zinc/08/11/03/958081103.db2.gz	RRXDLHGJFXEGFU-UHFFFAOYSA-N	-1	0	258.241	0.355	20	30		CCEDRM
C#CCN(CC(=O)[O-])C(=O)C[C@@H]1C(=O)Nc2ccccc21	ZINC001588401992	958086877	/nfs/dbraw/zinc/08/68/77/958086877.db2.gz	IHKGTNBELKMNOF-NSHDSACASA-N	-1	0	286.287	0.659	20	30		CCEDRM
C#CCN(CC(=O)[O-])C(=O)CCc1cccc2c1OCO2	ZINC001588402284	958090547	/nfs/dbraw/zinc/09/05/47/958090547.db2.gz	PSCOCCQIAZNYCR-UHFFFAOYSA-N	-1	0	289.287	0.894	20	30		CCEDRM
C#CCN(CC(=O)[O-])C(=O)NC[C@H]1CCO[C@@H]1C(=C)C	ZINC001588408698	958116172	/nfs/dbraw/zinc/11/61/72/958116172.db2.gz	ZKSKNASKJWNWEX-DGCLKSJQSA-N	-1	0	280.324	0.697	20	30		CCEDRM
C#CCN(CC(=O)[O-])C(=O)NCc1cc(CC)no1	ZINC001588408755	958116686	/nfs/dbraw/zinc/11/66/86/958116686.db2.gz	CHPADZPZMIAWCV-UHFFFAOYSA-N	-1	0	265.269	0.466	20	30		CCEDRM
C#CCN(CC(=O)[O-])C(=O)NCC(C)(C)CC(=O)OC	ZINC001588409595	958129332	/nfs/dbraw/zinc/12/93/32/958129332.db2.gz	HFASRHSIZCUONZ-UHFFFAOYSA-N	-1	0	284.312	0.305	20	30		CCEDRM
C#CCN(CC(=O)[O-])C(=O)NC[C@@H](CC(C)C)OC	ZINC001588410751	958142176	/nfs/dbraw/zinc/14/21/76/958142176.db2.gz	ZXZBTOGBDFMFPM-LLVKDONJSA-N	-1	0	270.329	0.777	20	30		CCEDRM
C#CCN(CC(=O)[O-])C(=O)Nc1cccc2c1CNC2=O	ZINC001588412916	958154644	/nfs/dbraw/zinc/15/46/44/958154644.db2.gz	MXSMUZULQDXGMC-UHFFFAOYSA-N	-1	0	287.275	0.482	20	30		CCEDRM
CC(C)(NS(=O)(=O)c1ccc(CC#N)cc1)C(=O)[O-]	ZINC000092130773	958158729	/nfs/dbraw/zinc/15/87/29/958158729.db2.gz	WYCDWTSETBUYPO-UHFFFAOYSA-N	-1	0	282.321	0.894	20	30		CCEDRM
C#CCN(CC(=O)[O-])C(=O)c1cncc2[nH]ccc21	ZINC001588418624	958182502	/nfs/dbraw/zinc/18/25/02/958182502.db2.gz	OGDIMEPTFFZLNC-UHFFFAOYSA-N	-1	0	257.249	0.723	20	30		CCEDRM
C#CCN(CC(=O)[O-])C(=O)c1cccc2c1CCOC2	ZINC001588418622	958182693	/nfs/dbraw/zinc/18/26/93/958182693.db2.gz	AMJGYSRJDCFBIH-UHFFFAOYSA-N	-1	0	273.288	0.919	20	30		CCEDRM
C#CCN(CC(=O)[O-])C(=O)c1cccc2[nH]c(=O)oc21	ZINC001588419225	958194506	/nfs/dbraw/zinc/19/45/06/958194506.db2.gz	YJDOWLILOQEQLJ-UHFFFAOYSA-N	-1	0	274.232	0.693	20	30		CCEDRM
C#CCN(CC(=O)[O-])[C@H](C)C(=O)NCc1ccccc1F	ZINC001588419914	958197244	/nfs/dbraw/zinc/19/72/44/958197244.db2.gz	HVPFTRNXSAZUNH-LLVKDONJSA-N	-1	0	292.310	0.850	20	30		CCEDRM
C#CCN(CC(=O)[O-])CC(=O)N(CC)C[C@@H](C)C#N	ZINC001588420139	958199444	/nfs/dbraw/zinc/19/94/44/958199444.db2.gz	MXXGYACCWCYKEC-NSHDSACASA-N	-1	0	265.313	0.014	20	30		CCEDRM
C#CCN(CC(=O)[O-])CC(=O)N1CCC(c2ccccc2)=N1	ZINC001588420356	958203325	/nfs/dbraw/zinc/20/33/25/958203325.db2.gz	XGDSENNPHHYUPT-UHFFFAOYSA-N	-1	0	299.330	0.643	20	30		CCEDRM
C#CCN(CC(=O)[O-])c1nnc(-c2ccco2)n1C	ZINC001588426158	958228034	/nfs/dbraw/zinc/22/80/34/958228034.db2.gz	AQZRDERERYEUMW-UHFFFAOYSA-N	-1	0	260.253	0.599	20	30		CCEDRM
C#CCN(CC(=O)[O-])c1nnc(C(C)(C)O)n1CC	ZINC001588426816	958233231	/nfs/dbraw/zinc/23/32/31/958233231.db2.gz	CWOQXMDQJCSMNQ-UHFFFAOYSA-N	-1	0	266.301	0.050	20	30		CCEDRM
C#CCN(CC(=O)[O-])c1nnc([C@@H](OC)C2CC2)n1C	ZINC001588426929	958236766	/nfs/dbraw/zinc/23/67/66/958236766.db2.gz	HGZCMAYBJDUUAW-NSHDSACASA-N	-1	0	278.312	0.437	20	30		CCEDRM
C#CCN(CC(=O)[O-])c1nnc(Cc2nccs2)n1C	ZINC001588427079	958240197	/nfs/dbraw/zinc/24/01/97/958240197.db2.gz	LQOAMIHMVIRQDT-UHFFFAOYSA-N	-1	0	291.336	0.387	20	30		CCEDRM
C#CCN(CC(=O)[O-])c1nnc(C(C)(C)F)n1CCOC	ZINC001588427353	958243969	/nfs/dbraw/zinc/24/39/69/958243969.db2.gz	UVUIQDDYGIIVJR-UHFFFAOYSA-N	-1	0	298.318	0.653	20	30		CCEDRM
C#CCN(CC(=O)[O-])c1nnc([C@@H](CC)[C@H](C)O)n1C	ZINC001588427454	958245528	/nfs/dbraw/zinc/24/55/28/958245528.db2.gz	YPBDYPOWJVJXQT-UWVGGRQHSA-N	-1	0	280.328	0.214	20	30		CCEDRM
C#CCn1cc(CNC(=O)[C@@](C)(C#N)CC(=O)[O-])cn1	ZINC001588433245	958294179	/nfs/dbraw/zinc/29/41/79/958294179.db2.gz	OATVIBZTIHLZDR-CYBMUJFWSA-N	-1	0	274.280	0.137	20	30		CCEDRM
C#CCOc1ccccc1NC(=O)C(=O)NCCC(=O)[O-]	ZINC001588433412	958296303	/nfs/dbraw/zinc/29/63/03/958296303.db2.gz	MWHPTBIRZQTKCM-UHFFFAOYSA-N	-1	0	290.275	0.228	20	30		CCEDRM
C#CCOc1ccc(COC(=O)[C@@H](OC)C(=O)[O-])cc1	ZINC001588433919	958301121	/nfs/dbraw/zinc/30/11/21/958301121.db2.gz	XBTBPGHFPPVJCF-LBPRGKRZSA-N	-1	0	278.260	0.841	20	30		CCEDRM
Cc1ccc(C#N)c(NCCOCCOCC(=O)[O-])n1	ZINC001594342703	958307767	/nfs/dbraw/zinc/30/77/67/958307767.db2.gz	PDJZYRZAOHQWBV-UHFFFAOYSA-N	-1	0	279.296	0.791	20	30		CCEDRM
C#Cc1cnc(N2CC[C@](COC)(C(=O)[O-])C2)nc1	ZINC001588438983	958308276	/nfs/dbraw/zinc/30/82/76/958308276.db2.gz	BQWMMZFZTQPTTE-ZDUSSCGKSA-N	-1	0	261.281	0.385	20	30		CCEDRM
C=C(C)C[C@@H](CO)NC(=O)c1cc(C(=O)[O-])n[nH]1	ZINC001588441818	958339698	/nfs/dbraw/zinc/33/96/98/958339698.db2.gz	LTNOKAOKGFBOHS-ZETCQYMHSA-N	-1	0	253.258	0.165	20	30		CCEDRM
C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)[C@H]1CC(C(=O)[O-])=NO1	ZINC001588442990	958348854	/nfs/dbraw/zinc/34/88/54/958348854.db2.gz	WPGBRMZDVXLUEZ-IEBDPFPHSA-N	-1	0	282.296	0.313	20	30		CCEDRM
C=C[C@H](NCC1(C(=O)[O-])CCOCC1)C(=O)OC	ZINC001588452292	958420876	/nfs/dbraw/zinc/42/08/76/958420876.db2.gz	MQZVOKUQGKRFPR-VIFPVBQESA-N	-1	0	257.286	0.185	20	30		CCEDRM
N#Cc1ccc(C(=O)N[C@@H](Cc2c[nH]cn2)C(=O)[O-])nc1	ZINC000111280683	958423546	/nfs/dbraw/zinc/42/35/46/958423546.db2.gz	FADPTQDKLBLULT-NSHDSACASA-N	-1	0	285.263	0.102	20	30		CCEDRM
C=C[C@@H](OC(=O)c1ccc(C(=O)[O-])cn1)C(=O)OC	ZINC001588452669	958425325	/nfs/dbraw/zinc/42/53/25/958425325.db2.gz	QINOGXNQIAQBRP-SECBINFHSA-N	-1	0	265.221	0.664	20	30		CCEDRM
C=CC[C@H](CO)NC(=O)N[C@H]1CC[C@@H](C(=O)[O-])C1	ZINC001588453276	958435306	/nfs/dbraw/zinc/43/53/06/958435306.db2.gz	UJOCVJZPVAWPBO-KXUCPTDWSA-N	-1	0	256.302	0.476	20	30		CCEDRM
C=CC[C@H](NC(=O)[C@H](C(=O)[O-])C(C)C)C(=O)OCC	ZINC001588453252	958435350	/nfs/dbraw/zinc/43/53/50/958435350.db2.gz	TVJRDTWNGLZZKZ-VHSXEESVSA-N	-1	0	271.313	0.967	20	30		CCEDRM
C#CC[C@@H](CO)NC(=O)Nc1ccn(C(C)(C)C(=O)[O-])n1	ZINC001573302015	958445516	/nfs/dbraw/zinc/44/55/16/958445516.db2.gz	IFJHLRDUSISBAQ-VIFPVBQESA-N	-1	0	294.311	0.209	20	30		CCEDRM
Cc1ccc(CNC(=O)COCC(=O)[O-])cc1C#N	ZINC001594361631	958455908	/nfs/dbraw/zinc/45/59/08/958455908.db2.gz	SYGLNUXHBRIRTR-UHFFFAOYSA-N	-1	0	262.265	0.584	20	30		CCEDRM
C=CCC1(C(=O)O[C@@H]2CCN(CC(=O)[O-])C2=O)CCC1	ZINC001588458434	958462187	/nfs/dbraw/zinc/46/21/87/958462187.db2.gz	UVGHOBREOCMQIP-SNVBAGLBSA-N	-1	0	281.308	0.962	20	30		CCEDRM
C=CCC1(O)CCN(C(=O)[C@@](C)(OC)C(=O)[O-])CC1	ZINC001588458796	958465171	/nfs/dbraw/zinc/46/51/71/958465171.db2.gz	ZALJWVQONZAZRU-GFCCVEGCSA-N	-1	0	271.313	0.406	20	30		CCEDRM
C=CCCOCCNC(=O)[C@@H]1CO[C@@H](CCC(=O)[O-])C1	ZINC001588460484	958476280	/nfs/dbraw/zinc/47/62/80/958476280.db2.gz	KEGHZBIMZDZYOJ-RYUDHWBXSA-N	-1	0	285.340	0.965	20	30		CCEDRM
C=CCO[C@H]1CCN(CN2C[C@@H](C(=O)[O-])CC2=O)C1	ZINC001588465161	958497639	/nfs/dbraw/zinc/49/76/39/958497639.db2.gz	NQHDXLIFHFGZLG-QWRGUYRKSA-N	-1	0	268.313	0.154	20	30		CCEDRM
C=CCn1c([C@H](C)CO)nnc1N1CC[C@](C)(C(=O)[O-])C1	ZINC001588470642	958529235	/nfs/dbraw/zinc/52/92/35/958529235.db2.gz	QHGGVCWREFHANR-YGRLFVJLSA-N	-1	0	294.355	0.861	20	30		CCEDRM
C=CCn1c(CO)nnc1N1CC[C@H](C)[C@@H](C(=O)[O-])C1	ZINC001588472621	958545511	/nfs/dbraw/zinc/54/55/11/958545511.db2.gz	QDDSBSKUUYFALN-UWVGGRQHSA-N	-1	0	280.328	0.503	20	30		CCEDRM
C=CCn1c([C@@H](C)O)nnc1N1CC[C@H](C(=O)[O-])C1	ZINC001588475013	958560570	/nfs/dbraw/zinc/56/05/70/958560570.db2.gz	SQLVVOPIEOFBHH-BDAKNGLRSA-N	-1	0	266.301	0.428	20	30		CCEDRM
CC#CCNC(=O)C(=O)Nc1cccc(CCC(=O)[O-])c1	ZINC001588478488	958566547	/nfs/dbraw/zinc/56/65/47/958566547.db2.gz	CCIIIQBJICSNCX-UHFFFAOYSA-N	-1	0	288.303	0.782	20	30		CCEDRM
C[C@](C#N)(CC(=O)[O-])C(=O)Nc1nc(C2CC2)no1	ZINC001573363325	958606739	/nfs/dbraw/zinc/60/67/39/958606739.db2.gz	IYHFQEQGORHOLN-LLVKDONJSA-N	-1	0	264.241	0.890	20	30		CCEDRM
CC(=NN[C@H]1CCOC(C)(C)C1)c1cn(CC(=O)[O-])nn1	ZINC001588486061	958608351	/nfs/dbraw/zinc/60/83/51/958608351.db2.gz	PNIJSJGJYMUORN-JTQLQIEISA-N	-1	0	295.343	0.634	20	30		CCEDRM
CC(=NOC[C@@H]1CCOC1)c1cn(CC(=O)[O-])nn1	ZINC001588486425	958611068	/nfs/dbraw/zinc/61/10/68/958611068.db2.gz	XRXYBHDTDSZVRO-SECBINFHSA-N	-1	0	268.273	0.140	20	30		CCEDRM
C#CC[C@H](NS(=O)(=O)c1cccs1)C(=O)[O-]	ZINC000127523713	958615438	/nfs/dbraw/zinc/61/54/38/958615438.db2.gz	WAKCLRSXAVSRIZ-ZETCQYMHSA-N	-1	0	259.308	0.503	20	30		CCEDRM
CC(C)(C#N)CS(=O)(=O)NC1(C(=O)[O-])CCOCC1	ZINC001573382354	958672068	/nfs/dbraw/zinc/67/20/68/958672068.db2.gz	YYMWIJGEIKOBCK-UHFFFAOYSA-N	-1	0	290.341	0.089	20	30		CCEDRM
C[C@@](C#N)(CC(=O)[O-])C(=O)N1CC(=O)N(CC2CC2)C1	ZINC001588535814	958930478	/nfs/dbraw/zinc/93/04/78/958930478.db2.gz	QPAPPPCNODHEGY-ZDUSSCGKSA-N	-1	0	279.296	0.029	20	30		CCEDRM
C[C@](C#N)(CC(=O)[O-])C(=O)N1C[C@@H]2[C@H](O)CC[C@@H]2C1	ZINC001588538881	958945998	/nfs/dbraw/zinc/94/59/98/958945998.db2.gz	PRJPTXPEHGCGHE-BSTOTGJRSA-N	-1	0	266.297	0.220	20	30		CCEDRM
CC(C)[C@H](C#N)N1CCN(C(=O)[C@@H]2CC[C@H]2C(=O)[O-])CC1	ZINC001573484398	958986668	/nfs/dbraw/zinc/98/66/68/958986668.db2.gz	IULKLONWVZVURP-UPJWGTAASA-N	-1	0	293.367	0.790	20	30		CCEDRM
C#CC[C@@H](NC(=O)COc1ccc(C#N)cc1)C(=O)[O-]	ZINC000149858168	959029302	/nfs/dbraw/zinc/02/93/02/959029302.db2.gz	YTUWLXSWNTWIEU-GFCCVEGCSA-N	-1	0	272.260	0.530	20	30		CCEDRM
C#CC[C@H](NC(=O)CNC(=O)c1cccc(F)c1)C(=O)[O-]	ZINC000149959761	959032240	/nfs/dbraw/zinc/03/22/40/959032240.db2.gz	BMTFILLSEJKQIN-NSHDSACASA-N	-1	0	292.266	0.148	20	30		CCEDRM
CC#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@H](C)C(=O)[O-]	ZINC001573497013	959034851	/nfs/dbraw/zinc/03/48/51/959034851.db2.gz	WGGJHZOPEPMFRZ-ZJUUUORDSA-N	-1	0	298.339	0.882	20	30		CCEDRM
CC(C)[C@@H](CNc1cnc(C#N)c(C#N)n1)C(=O)[O-]	ZINC001573499351	959050619	/nfs/dbraw/zinc/05/06/19/959050619.db2.gz	KDIDGIDVGGPFAZ-MRVPVSSYSA-N	-1	0	259.269	0.989	20	30		CCEDRM
CC(C)COC[C@H](O)CNC(=O)[C@](C)(C#N)CC(=O)[O-]	ZINC001573522810	959130628	/nfs/dbraw/zinc/13/06/28/959130628.db2.gz	PVCSCWUYWMKGHW-MFKMUULPSA-N	-1	0	286.328	0.141	20	30		CCEDRM
C#CC[C@@H](NS(=O)(=O)c1cccc(F)c1)C(=O)[O-]	ZINC000161264212	959180143	/nfs/dbraw/zinc/18/01/43/959180143.db2.gz	VLPNDAHBGPBRLA-SNVBAGLBSA-N	-1	0	271.269	0.581	20	30		CCEDRM
C#CC[C@H](NS(=O)(=O)N1CCC[C@H](C)C1)C(=O)[O-]	ZINC000161265244	959180475	/nfs/dbraw/zinc/18/04/75/959180475.db2.gz	HSDJEHWDPILUKZ-UWVGGRQHSA-N	-1	0	274.342	0.029	20	30		CCEDRM
C[C@@H](O)C(C)(C)CNC(=O)[C@](C)(C#N)CC(=O)[O-]	ZINC001573634738	959583465	/nfs/dbraw/zinc/58/34/65/959583465.db2.gz	HOEADUJTQUWLGE-PELKAZGASA-N	-1	0	256.302	0.514	20	30		CCEDRM
Cc1nc(C(=O)N2CCSC[C@@H]2C(=O)[O-])ccc1C#N	ZINC000214796895	959740980	/nfs/dbraw/zinc/74/09/80/959740980.db2.gz	SOZVSTOSZYHYKY-LLVKDONJSA-N	-1	0	291.332	0.904	20	30		CCEDRM
C[C@@H](O)CNN=Cc1ccc(N2CCC(C(=O)[O-])CC2)o1	ZINC001603268248	972464244	/nfs/dbraw/zinc/46/42/44/972464244.db2.gz	GTOTUUFNYIBBEO-SNVBAGLBSA-N	-1	0	295.339	0.885	20	30		CCEDRM
C[C@@](CO)(NC(=O)[C@@H]1C[C@H]1c1cccc(C#N)c1)C(=O)[O-]	ZINC001571034238	960499595	/nfs/dbraw/zinc/49/95/95/960499595.db2.gz	BADNYBWGFQOXEG-ZOWXZIJZSA-N	-1	0	288.303	0.614	20	30		CCEDRM
C[C@H]1CN(C(=O)Nc2nn(C)cc2C#N)CC[C@H]1C(=O)[O-]	ZINC001573750041	960550166	/nfs/dbraw/zinc/55/01/66/960550166.db2.gz	UQRNJRWMLRPMHA-WCBMZHEXSA-N	-1	0	291.311	0.866	20	30		CCEDRM
Cc1nsc(NC(=O)Cn2ccc(C(=O)[O-])n2)c1C#N	ZINC001571041216	960578732	/nfs/dbraw/zinc/57/87/32/960578732.db2.gz	FQDCQMPISCSRDE-UHFFFAOYSA-N	-1	0	291.292	0.857	20	30		CCEDRM
C#CC[C@@H](NC(=O)c1ccnc(F)c1F)C(=O)[O-]	ZINC000236433506	960595290	/nfs/dbraw/zinc/59/52/90/960595290.db2.gz	HNQCLGIFQKWTAV-SSDOTTSWSA-N	-1	0	254.192	0.566	20	30		CCEDRM
Cc1nocc1CNC(=O)N1CCC(C#N)(C(=O)[O-])CC1	ZINC001571042277	960596818	/nfs/dbraw/zinc/59/68/18/960596818.db2.gz	FWIWKVPNTHOJEM-UHFFFAOYSA-N	-1	0	292.295	0.883	20	30		CCEDRM
CC[C@@H](C(=O)[O-])[N@H+](C)Cc1cc(=O)n2[n-]cc(C#N)c2n1	ZINC001573767385	960624330	/nfs/dbraw/zinc/62/43/30/960624330.db2.gz	ASYOZNFWDKVNNY-JTQLQIEISA-N	-1	0	289.295	0.602	20	30		CCEDRM
C[C@@H]1CC[C@H](C(=O)[O-])N1CC(=O)N(CCC#N)CCC#N	ZINC001574274528	960625816	/nfs/dbraw/zinc/62/58/16/960625816.db2.gz	ZOUROEQDIFZNEM-VXGBXAGGSA-N	-1	0	292.339	0.580	20	30		CCEDRM
Cc1nn(C)c(NC(=O)[C@@H]2CC[C@H]2C(=O)[O-])c1C#N	ZINC001574434899	961397711	/nfs/dbraw/zinc/39/77/11/961397711.db2.gz	ULAAKWDXRCIQBR-HTQZYQBOSA-N	-1	0	262.269	0.650	20	30		CCEDRM
CC(C)[C@@H](C#N)N1CCN(C(=O)[C@@H]2CC[C@@H]2C(=O)[O-])CC1	ZINC001588801803	961427301	/nfs/dbraw/zinc/42/73/01/961427301.db2.gz	IULKLONWVZVURP-FRRDWIJNSA-N	-1	0	293.367	0.790	20	30		CCEDRM
N#CCc1ccnc(NC(=O)c2cn(CC(=O)[O-])nn2)c1	ZINC001574479225	961649104	/nfs/dbraw/zinc/64/91/04/961649104.db2.gz	GMMWXBJNWSSTRJ-UHFFFAOYSA-N	-1	0	286.251	0.076	20	30		CCEDRM
N#CC[C@H]1CCCN(C(=O)c2cn(CC(=O)[O-])nn2)C1	ZINC001574480365	961661654	/nfs/dbraw/zinc/66/16/54/961661654.db2.gz	HWRZVOHZPUPHMM-SECBINFHSA-N	-1	0	277.284	0.129	20	30		CCEDRM
N#Cc1ccc(NC(=O)N[C@H]2C[C@@H](C(=O)[O-])C2)nc1	ZINC001574488627	961696772	/nfs/dbraw/zinc/69/67/72/961696772.db2.gz	UJCRRRHVBIYPJR-DTORHVGOSA-N	-1	0	260.253	0.938	20	30		CCEDRM
N#Cc1ccc(NC(=O)N[C@H]2C[C@H](C(=O)[O-])C2)nc1	ZINC001574488628	961697291	/nfs/dbraw/zinc/69/72/91/961697291.db2.gz	UJCRRRHVBIYPJR-KYZUINATSA-N	-1	0	260.253	0.938	20	30		CCEDRM
N#Cc1cccc(C(=O)Nc2n[nH]cc2C(=O)[O-])n1	ZINC001574490252	961713271	/nfs/dbraw/zinc/71/32/71/961713271.db2.gz	YNFTYPFNEVRCRI-UHFFFAOYSA-N	-1	0	257.209	0.627	20	30		CCEDRM
N#Cc1c[nH]nc1NC(=O)[C@H]1CO[C@@H](CCC(=O)[O-])C1	ZINC001574493437	961719131	/nfs/dbraw/zinc/71/91/31/961719131.db2.gz	MCAATFUDNWMEEQ-APPZFPTMSA-N	-1	0	278.268	0.490	20	30		CCEDRM
COc1cc(C#N)ccc1C(=O)NC[C@@](C)(O)C(=O)[O-]	ZINC001574012451	961919601	/nfs/dbraw/zinc/91/96/01/961919601.db2.gz	LLMQEWAVMJTIAR-CYBMUJFWSA-N	-1	0	278.264	0.132	20	30		CCEDRM
CC(C)C[C@@H](NS(=O)(=O)CC(C)(C)C#N)C(=O)[O-]	ZINC001588887363	962181849	/nfs/dbraw/zinc/18/18/49/962181849.db2.gz	CZWJHNPVTIFGDV-SECBINFHSA-N	-1	0	276.358	0.955	20	30		CCEDRM
CO[C@@H](C(=O)[O-])C(=O)Nc1cc(C)nn1CCC#N	ZINC001574104177	962419923	/nfs/dbraw/zinc/41/99/23/962419923.db2.gz	GLAXBTYGRKGDGX-SECBINFHSA-N	-1	0	266.257	0.143	20	30		CCEDRM
COC[C@@](C)(C#N)NC(=O)[C@H]1CC[C@@H](C(=O)[O-])C1	ZINC001574120397	962494227	/nfs/dbraw/zinc/49/42/27/962494227.db2.gz	WUILNUGVTHZVFJ-YGOYTEALSA-N	-1	0	254.286	0.532	20	30		CCEDRM
COC[C@H](CCNC(=O)[C@@](C)(C#N)CC(=O)[O-])OC	ZINC001574130912	962529357	/nfs/dbraw/zinc/52/93/57/962529357.db2.gz	SOKYVLPWONQCGL-JOYOIKCWSA-N	-1	0	272.301	0.159	20	30		CCEDRM
CC(C)S(=O)(=O)NN=Cc1cccn1CC(=O)[O-]	ZINC001588941721	962545687	/nfs/dbraw/zinc/54/56/87/962545687.db2.gz	XZLJLXHKONGSAB-UHFFFAOYSA-N	-1	0	273.314	0.234	20	30		CCEDRM
Cc1cc(NC(=O)NC[C@@](C)(O)C(=O)[O-])ncc1C#N	ZINC001574141710	962580738	/nfs/dbraw/zinc/58/07/38/962580738.db2.gz	QKRLMFGMTQMYOU-GFCCVEGCSA-N	-1	0	278.268	0.219	20	30		CCEDRM
C#C[C@@H](CCC)NC(=O)NC[C@H]1CCO[C@H]1C(=O)[O-]	ZINC001573301759	962635742	/nfs/dbraw/zinc/63/57/42/962635742.db2.gz	DZMSTPAHXHLYOT-OUAUKWLOSA-N	-1	0	268.313	0.577	20	30		CCEDRM
C#CC[C@@H](NC(=O)c1c(C)nn(C)c1Cl)C(=O)[O-]	ZINC001573301790	962636527	/nfs/dbraw/zinc/63/65/27/962636527.db2.gz	FLAOCNMHOCHMBN-SSDOTTSWSA-N	-1	0	269.688	0.588	20	30		CCEDRM
C#CC[C@H](NC(=O)c1ccc(F)c(C#N)c1)C(=O)[O-]	ZINC001573302661	962659040	/nfs/dbraw/zinc/65/90/40/962659040.db2.gz	DHDYAIJMWQFNSZ-NSHDSACASA-N	-1	0	260.224	0.904	20	30		CCEDRM
C#C[C@H](NC(=O)C(=C)CCC(=O)[O-])[C@H]1CCCO1	ZINC001573302861	962665179	/nfs/dbraw/zinc/66/51/79/962665179.db2.gz	RHEQPKXHKCATKU-WDEREUQCSA-N	-1	0	251.282	0.704	20	30		CCEDRM
C#CC[C@H](NS(=O)(=O)[C@@H]1C[C@H]1c1ccccc1)C(=O)[O-]	ZINC001573303483	962677383	/nfs/dbraw/zinc/67/73/83/962677383.db2.gz	ORCFFFHUHUQZTP-RWMBFGLXSA-N	-1	0	293.344	0.938	20	30		CCEDRM
C#C[C@H](C)N(C)S(=O)(=O)c1n[nH]c(C)c1C(=O)[O-]	ZINC001573303543	962678395	/nfs/dbraw/zinc/67/83/95/962678395.db2.gz	ZGYHTRADYGJKAH-LURJTMIESA-N	-1	0	271.298	0.059	20	30		CCEDRM
C#CCCCC(=O)N1C[C@H](C)[C@H](NC(=O)CNC(=O)[O-])C1	ZINC001573303970	962683167	/nfs/dbraw/zinc/68/31/67/962683167.db2.gz	VANMLAFWLXKPHU-WDEREUQCSA-N	-1	0	295.339	0.021	20	30		CCEDRM
C#CCN(C(=O)c1cnc(C(=O)[O-])cn1)c1nccs1	ZINC001573318310	962745052	/nfs/dbraw/zinc/74/50/52/962745052.db2.gz	NJQQFWJIQYNYEC-UHFFFAOYSA-N	-1	0	288.288	0.911	20	30		CCEDRM
C=C(CCC(=O)[O-])C(=O)NCCCn1cccn1	ZINC001573331988	962821896	/nfs/dbraw/zinc/82/18/96/962821896.db2.gz	BVBYHRWJQGAOQH-UHFFFAOYSA-N	-1	0	251.286	0.810	20	30		CCEDRM
C=C(CCC(=O)[O-])C(=O)N1[C@H](C)CC[C@H](C(N)=O)[C@@H]1C	ZINC001573332572	962836728	/nfs/dbraw/zinc/83/67/28/962836728.db2.gz	OYNJQRNTPPYFRF-VWYCJHECSA-N	-1	0	282.340	0.908	20	30		CCEDRM
C=C(CCC(=O)[O-])C(=O)NCc1nc(C)c(C(N)=O)s1	ZINC001573336831	962860195	/nfs/dbraw/zinc/86/01/95/962860195.db2.gz	HAFFMTGXDKINKE-UHFFFAOYSA-N	-1	0	297.336	0.588	20	30		CCEDRM
C[C@@H](CC(=O)[O-])NC(=O)N1CCO[C@@](C)(C#N)C1	ZINC001588997335	962861565	/nfs/dbraw/zinc/86/15/65/962861565.db2.gz	BKDYSWUPGJUYBX-KWQFWETISA-N	-1	0	255.274	0.174	20	30		CCEDRM
C=C(CO)C(=O)N[C@@]1(C(=O)[O-])C[C@@H](OCC)C1(C)C	ZINC001573340023	962898934	/nfs/dbraw/zinc/89/89/34/962898934.db2.gz	ZWOFJQMUQFZENY-NOZJJQNGSA-N	-1	0	271.313	0.310	20	30		CCEDRM
C=C1CC(C)(C(=O)N[C@@H]2CCN(C(=O)CNC(=O)[O-])C2)C1	ZINC001573344263	962914314	/nfs/dbraw/zinc/91/43/14/962914314.db2.gz	QFPOSNCVCRUKFY-SNVBAGLBSA-N	-1	0	295.339	0.327	20	30		CCEDRM
C=CCCC(=O)N[C@H](C)C[C@H](C)NC(=O)CNC(=O)[O-]	ZINC001573352535	962988296	/nfs/dbraw/zinc/98/82/96/962988296.db2.gz	FITYAORWULJJEB-ZJUUUORDSA-N	-1	0	285.344	0.620	20	30		CCEDRM
C=CCCC[C@@H](NC(=O)CCCS(C)(=O)=O)C(=O)[O-]	ZINC001573358039	963024501	/nfs/dbraw/zinc/02/45/01/963024501.db2.gz	WFKHDMCULXNHLF-SNVBAGLBSA-N	-1	0	291.369	0.737	20	30		CCEDRM
C#C[C@H](NC(=O)N1CCO[C@H](CC(=O)[O-])C1)C(C)C	ZINC000302324460	963073206	/nfs/dbraw/zinc/07/32/06/963073206.db2.gz	KCCPHMPUZNGOCN-MNOVXSKESA-N	-1	0	268.313	0.529	20	30		CCEDRM
N#CCn1cc(NC(=O)c2cc(C(=O)[O-])ccn2)cn1	ZINC001570996982	963190787	/nfs/dbraw/zinc/19/07/87/963190787.db2.gz	VPHKMMWGHFYAJI-UHFFFAOYSA-N	-1	0	271.236	0.752	20	30		CCEDRM
CN1C[C@@H](C(=O)[O-])N(Cc2ccc(C#N)s2)CC1=O	ZINC001571009058	963266917	/nfs/dbraw/zinc/26/69/17/963266917.db2.gz	IULOGPDHTUTXSZ-JTQLQIEISA-N	-1	0	279.321	0.347	20	30		CCEDRM
Cn1nc(C(=O)[O-])cc1NC(=O)[C@@]1(C#N)CCCOC1	ZINC001571009142	963267757	/nfs/dbraw/zinc/26/77/57/963267757.db2.gz	NQXMESJRHVGOTH-GFCCVEGCSA-N	-1	0	278.268	0.377	20	30		CCEDRM
N#CC1(C(=O)[O-])CCN(C(=O)[C@@H]2C[C@@]23CCOC3)CC1	ZINC001571009527	963271346	/nfs/dbraw/zinc/27/13/46/963271346.db2.gz	ODPHKHUZQLFLFW-IINYFYTJSA-N	-1	0	278.308	0.630	20	30		CCEDRM
C#CCCCS(=O)(=O)N[C@H]1C[C@@H](C(=O)[O-])[C@@H]2C[C@@H]21	ZINC001588446450	964073527	/nfs/dbraw/zinc/07/35/27/964073527.db2.gz	HGXNIMGTKAKZNR-YTWAJWBKSA-N	-1	0	271.338	0.428	20	30		CCEDRM
C#CCCCS(=O)(=O)N1CCSC[C@H](C(=O)[O-])C1	ZINC001588446921	964080478	/nfs/dbraw/zinc/08/04/78/964080478.db2.gz	NVBVJOQAZDZKTF-SNVBAGLBSA-N	-1	0	291.394	0.479	20	30		CCEDRM
C#CCN(CC(=O)[O-])C(=O)c1cccc(OC)c1F	ZINC000397448404	968253512	/nfs/dbraw/zinc/25/35/12/968253512.db2.gz	GZHMNKOFAJRYGF-UHFFFAOYSA-N	-1	0	265.240	0.994	20	30		CCEDRM
COc1cccc(N=NC(C)c2cn(CC(=O)[O-])nn2)n1	ZINC001610356437	970732227	/nfs/dbraw/zinc/73/22/27/970732227.db2.gz	DVEIFTVCJOXLDE-UHFFFAOYSA-N	-1	0	290.283	0.602	20	30		CCEDRM
Cc1cc(C)nc(N=NCc2cc(C(=O)[O-])nn2C)n1	ZINC001605164555	972858730	/nfs/dbraw/zinc/85/87/30/972858730.db2.gz	WZJJZUJDLKNMIS-UHFFFAOYSA-N	-1	0	274.284	0.971	20	30		CCEDRM
CO[C@@H](C(=O)[O-])C(=O)OCc1cncc(C#N)c1	ZINC001604445631	973260395	/nfs/dbraw/zinc/26/03/95/973260395.db2.gz	KRALGQZQMTUGAD-VIFPVBQESA-N	-1	0	250.210	0.096	20	30		CCEDRM
CO[C@](C)(C(=O)[O-])C(=O)OCc1ccc(C#N)o1	ZINC001604463853	973327239	/nfs/dbraw/zinc/32/72/39/973327239.db2.gz	ZNANQVNFCBEXCM-LLVKDONJSA-N	-1	0	253.210	0.684	20	30		CCEDRM
Cc1[nH]nc(NC(=O)c2ccc(C(=O)[O-])nc2)c1C#N	ZINC001605388620	973363372	/nfs/dbraw/zinc/36/33/72/973363372.db2.gz	XQJZEDGRSGWELF-UHFFFAOYSA-N	-1	0	271.236	0.935	20	30		CCEDRM
C=C(CC)CNC(=O)N1C[C@@H](O)C[C@H](C(=O)[O-])C1	ZINC000401786638	973390076	/nfs/dbraw/zinc/39/00/76/973390076.db2.gz	LCSOVCIOHWPMTL-UWVGGRQHSA-N	-1	0	256.302	0.430	20	30		CCEDRM
Cc1onc(CC(=O)N(C)C[C@H](C)C(=O)[O-])c1C#N	ZINC001605459905	973549759	/nfs/dbraw/zinc/54/97/59/973549759.db2.gz	CIGHLFYTGNCBGY-ZETCQYMHSA-N	-1	0	265.269	0.576	20	30		CCEDRM
CCC(CC)(C(=O)[O-])C(=O)OCC1(C#N)COC1	ZINC001603526955	973570831	/nfs/dbraw/zinc/57/08/31/973570831.db2.gz	MKRHUDUKSGWGOV-UHFFFAOYSA-N	-1	0	255.270	0.961	20	30		CCEDRM
N#Cc1c(F)cccc1N1C[C@H](C(=O)[O-])C[C@H](O)C1	ZINC000401971137	973577237	/nfs/dbraw/zinc/57/72/37/973577237.db2.gz	MPXHCKMYDXYPHW-BDAKNGLRSA-N	-1	0	264.256	0.969	20	30		CCEDRM
COCC1(C2CC2)CN(C(=O)[C@@](C)(C#N)CC(=O)[O-])C1	ZINC001604567283	973643566	/nfs/dbraw/zinc/64/35/66/973643566.db2.gz	RNQXXCMVABSPSP-CYBMUJFWSA-N	-1	0	280.324	0.876	20	30		CCEDRM
N#C[C@@]1(C(=O)N[C@H]2CCC[C@H]2C(=O)[O-])CCCOC1	ZINC001605576724	973850846	/nfs/dbraw/zinc/85/08/46/973850846.db2.gz	SODMEWHGUMYWMH-NRUUGDAUSA-N	-1	0	266.297	0.676	20	30		CCEDRM
N#C[C@H]1COCCN1C(=O)/C=C/c1ccc(C(=O)[O-])o1	ZINC001605581744	973860981	/nfs/dbraw/zinc/86/09/81/973860981.db2.gz	KOSRFUYUCMSLGK-LXOKAJLYSA-N	-1	0	276.248	0.742	20	30		CCEDRM
N#C[C@H]1CCCN(C(=O)NCC2(C(=O)[O-])CCOCC2)C1	ZINC001605582645	973865712	/nfs/dbraw/zinc/86/57/12/973865712.db2.gz	AQZKDQTUQTVPQG-LLVKDONJSA-N	-1	0	295.339	0.813	20	30		CCEDRM
N#C[C@]1(NC(=O)c2ccc(C(=O)[O-])nc2)CCSC1	ZINC001605582887	973868904	/nfs/dbraw/zinc/86/89/04/973868904.db2.gz	IEHDXAXCAHIHDW-GFCCVEGCSA-N	-1	0	277.305	0.909	20	30		CCEDRM
N#CC1(CNC(=O)c2cnc(C(=O)[O-])cn2)CCOCC1	ZINC001605582924	973870204	/nfs/dbraw/zinc/87/02/04/973870204.db2.gz	JLLVKZRKEDKFKN-UHFFFAOYSA-N	-1	0	290.279	0.225	20	30		CCEDRM
N#C[C@@H]1CCCN(C(=O)[C@@H]2CCCN(CC(=O)[O-])C2=O)C1	ZINC001605583192	973870350	/nfs/dbraw/zinc/87/03/50/973870350.db2.gz	MXJOJATWIADPGL-QWRGUYRKSA-N	-1	0	293.323	0.072	20	30		CCEDRM
N#CC1(NC(=O)[C@H]2CC(C(=O)[O-])=NO2)CCSCC1	ZINC001605583183	973870784	/nfs/dbraw/zinc/87/07/84/973870784.db2.gz	MPEPOPLXUANGBS-MRVPVSSYSA-N	-1	0	283.309	0.121	20	30		CCEDRM
COc1cc(C#N)ccc1C(=O)N1CC(C(=O)[O-])C1	ZINC001604684796	973878052	/nfs/dbraw/zinc/87/80/52/973878052.db2.gz	DECKWOYKWDKVLU-UHFFFAOYSA-N	-1	0	260.249	0.723	20	30		CCEDRM
N#Cc1cc(C(=O)N2CCOC[C@H]2C(=O)[O-])ccc1F	ZINC001605591925	973890183	/nfs/dbraw/zinc/89/01/83/973890183.db2.gz	IQGKPXCZOZWJEE-NSHDSACASA-N	-1	0	278.239	0.623	20	30		CCEDRM
N#CCc1ccccc1CC(=O)N1CCOC[C@H]1C(=O)[O-]	ZINC001605601451	973903937	/nfs/dbraw/zinc/90/39/37/973903937.db2.gz	JRENIDLEXDGQRL-ZDUSSCGKSA-N	-1	0	288.303	0.607	20	30		CCEDRM
N#Cc1ccc(OC(=O)c2cn(CC(=O)[O-])nn2)c(F)c1	ZINC001605611920	973921600	/nfs/dbraw/zinc/92/16/00/973921600.db2.gz	AFPHQPRHJKFLTF-UHFFFAOYSA-N	-1	0	290.210	0.593	20	30		CCEDRM
N#Cc1cccc(CON2C[C@H](C(=O)[O-])CC2=O)c1	ZINC001605617529	973934279	/nfs/dbraw/zinc/93/42/79/973934279.db2.gz	KIQQRTYTVDOZFK-LLVKDONJSA-N	-1	0	260.249	0.923	20	30		CCEDRM
CCOC(=O)C[C@H](C)CNC(=O)[C@](C)(C#N)CC(=O)[O-]	ZINC001603793132	974256240	/nfs/dbraw/zinc/25/62/40/974256240.db2.gz	CCZVVMMMMIVCRO-ZANVPECISA-N	-1	0	284.312	0.696	20	30		CCEDRM
C[C@@H](/C=C\C(=O)[O-])NC(=O)CC1(C#N)CCOCC1	ZINC001592189987	977122218	/nfs/dbraw/zinc/12/22/18/977122218.db2.gz	CDVUWORQWGAEBF-ZMWSMAPVSA-N	-1	0	266.297	0.842	20	30		CCEDRM
C[C@@](CCF)(NC(=O)c1cc(C#N)c[nH]1)C(=O)[O-]	ZINC001592497863	978303186	/nfs/dbraw/zinc/30/31/86/978303186.db2.gz	KGIUMOSQFJMNPZ-NSHDSACASA-N	-1	0	253.233	0.819	20	30		CCEDRM
C[C@@](CCF)(NS(=O)(=O)CC1(C#N)CCC1)C(=O)[O-]	ZINC001592506368	978318767	/nfs/dbraw/zinc/31/87/67/978318767.db2.gz	AFDNPWGIUOSFHR-JTQLQIEISA-N	-1	0	292.332	0.803	20	30		CCEDRM
CC[C@@H](CNS(=O)(=O)CC1(C#N)CCC1)C(=O)[O-]	ZINC001595169670	979729581	/nfs/dbraw/zinc/72/95/81/979729581.db2.gz	CSAZPEHBUGUFCH-VIFPVBQESA-N	-1	0	274.342	0.710	20	30		CCEDRM
C[C@@H](Cc1c[nH]cn1)C(=O)N(CC#N)CC(=O)[O-]	ZINC001592907519	979856249	/nfs/dbraw/zinc/85/62/49/979856249.db2.gz	PBCANNSLUXAFHP-QMMMGPOBSA-N	-1	0	250.258	0.025	20	30		CCEDRM
CC[C@@H](C(=O)[O-])C(=O)NC1CCN(CC#N)CC1	ZINC001594749179	981648504	/nfs/dbraw/zinc/64/85/04/981648504.db2.gz	PPIBSERCRHMAFM-SNVBAGLBSA-N	-1	0	253.302	0.201	20	30		CCEDRM
CC[C@@H](C(=O)[O-])C(=O)OCC(=O)NC1(C#N)CCC1	ZINC001594764336	981706373	/nfs/dbraw/zinc/70/63/73/981706373.db2.gz	FOJUNFGBBTUBER-QMMMGPOBSA-N	-1	0	268.269	0.203	20	30		CCEDRM
CC[C@](C)(C#N)NC(=O)COCc1ocnc1C(=O)[O-]	ZINC001594777964	981771501	/nfs/dbraw/zinc/77/15/01/981771501.db2.gz	HAEDMKNIDFBAOH-GFCCVEGCSA-N	-1	0	281.268	0.698	20	30		CCEDRM
CC[C@@](C)(C#N)C(=O)OCC(=O)NCCC(=O)[O-]	ZINC001594778447	981776822	/nfs/dbraw/zinc/77/68/22/981776822.db2.gz	RZECCDBQMWSKJY-NSHDSACASA-N	-1	0	256.258	0.060	20	30		CCEDRM
C#CCCOc1ccc(C(=O)NC[C@H](O)C(=O)[O-])cc1	ZINC001573463918	983042335	/nfs/dbraw/zinc/04/23/35/983042335.db2.gz	RDMVCAQFJRZWMP-LBPRGKRZSA-N	-1	0	277.276	0.264	20	30		CCEDRM
N#C[C@]1(C(=O)Nc2ccn(CC(=O)[O-])n2)CCCOC1	ZINC001574242061	983200454	/nfs/dbraw/zinc/20/04/54/983200454.db2.gz	SOMUUEKIZYQJFT-GFCCVEGCSA-N	-1	0	278.268	0.227	20	30		CCEDRM
C#C[C@@](C)(CC)NS(=O)(=O)c1n[nH]c(C)c1C(=O)[O-]	ZINC001588366874	983295217	/nfs/dbraw/zinc/29/52/17/983295217.db2.gz	AMMXKLPBTUEYSE-NSHDSACASA-N	-1	0	285.325	0.497	20	30		CCEDRM
C#CC(C)(C)NC(=O)[C@H]1CC[C@@H](CCC(=O)[O-])O1	ZINC001588367402	983298348	/nfs/dbraw/zinc/29/83/48/983298348.db2.gz	SOICVWZKOMVZDT-VHSXEESVSA-N	-1	0	253.298	0.927	20	30		CCEDRM
C#C[C@@H](C)NC(=O)C(=O)Nc1cc2[nH]ccc2c(C(=O)[O-])c1	ZINC001588368022	983302450	/nfs/dbraw/zinc/30/24/50/983302450.db2.gz	FPPLQAJDHAUSFR-MRVPVSSYSA-N	-1	0	299.286	0.943	20	30		CCEDRM
C#C[C@H](C)NC(=O)N1CCC[C@](O)(C2(C(=O)[O-])CCC2)C1	ZINC001588368171	983303405	/nfs/dbraw/zinc/30/34/05/983303405.db2.gz	HOIJBRKYCYERNP-XHDPSFHLSA-N	-1	0	294.351	0.800	20	30		CCEDRM
C#C[C@@H](C)NC(=O)[C@@H](CCC(=O)[O-])NC(=O)OC(C)(C)C	ZINC001588368417	983306231	/nfs/dbraw/zinc/30/62/31/983306231.db2.gz	MJEPLUPAUMHVCJ-NXEZZACHSA-N	-1	0	298.339	0.882	20	30		CCEDRM
C#C[C@H](NC(=O)N1C[C@@H](C)[C@H](C(=O)[O-])C1)[C@@H]1CCCO1	ZINC001588372415	983330429	/nfs/dbraw/zinc/33/04/29/983330429.db2.gz	KFDSDJGHCZSFSI-WYUUTHIRSA-N	-1	0	280.324	0.529	20	30		CCEDRM
C#C[C@H](NC(=O)Nc1nn(C)cc1C(=O)[O-])[C@H]1CCCO1	ZINC001588373405	983338024	/nfs/dbraw/zinc/33/80/24/983338024.db2.gz	FWAWUSWWOWFDFE-VHSXEESVSA-N	-1	0	292.295	0.421	20	30		CCEDRM
C#C[C@H](NS(=O)(=O)c1c[nH]c(C(=O)[O-])c1)[C@H]1CCCO1	ZINC001588376028	983349254	/nfs/dbraw/zinc/34/92/54/983349254.db2.gz	AQFKVKUWFDMAFS-GXSJLCMTSA-N	-1	0	298.320	0.172	20	30		CCEDRM
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C#C[C@H]1COCCN1C(=O)NC/C=C(/C)C(=O)[O-]	ZINC001588383924	983385001	/nfs/dbraw/zinc/38/50/01/983385001.db2.gz	PHLHTNGLEUAPSK-FWAPLPHYSA-N	-1	0	252.270	0.061	20	30		CCEDRM
C#CC[C@H](CCOC)NC(=O)N[C@H]1C[C@@H](C(=O)[O-])C1	ZINC001588393506	983398649	/nfs/dbraw/zinc/39/86/49/983398649.db2.gz	GMXUTMBNIOIKSI-MXWKQRLJSA-N	-1	0	268.313	0.577	20	30		CCEDRM
C#CC[C@@H](CO)NC(=O)[C@H]1CCCC[C@H]1C(=O)[O-]	ZINC001588393582	983398662	/nfs/dbraw/zinc/39/86/62/983398662.db2.gz	IGLVZSIFJXQYAY-GARJFASQSA-N	-1	0	253.298	0.378	20	30		CCEDRM
C#CC[C@H](CO)NC(=O)NCCc1ccc(C(=O)[O-])cc1	ZINC001588393580	983398768	/nfs/dbraw/zinc/39/87/68/983398768.db2.gz	IDMIVTKQBGDDSJ-CYBMUJFWSA-N	-1	0	290.319	0.611	20	30		CCEDRM
C#CC[C@@H](COC)NC(=O)N[C@@H]1C[C@@H]2C[C@H](C(=O)[O-])C[C@H]12	ZINC001588393999	983401399	/nfs/dbraw/zinc/40/13/99/983401399.db2.gz	IMYCWPUBRRBTSC-PJSNJIKXSA-N	-1	0	294.351	0.823	20	30		CCEDRM
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C#CC[C@H](NC(=O)C1=C[S@@](=O)CCC1)C(=O)[O-]	ZINC001588399545	983415925	/nfs/dbraw/zinc/41/59/25/983415925.db2.gz	VJEWNPHDPLMFKF-XYZCENFISA-N	-1	0	255.295	0.006	20	30		CCEDRM
C#CC[C@@H](NC(=O)CCCCC(=O)OC)C(=O)[O-]	ZINC001588406436	983425588	/nfs/dbraw/zinc/42/55/88/983425588.db2.gz	QEFLGSFAMPGQDV-SECBINFHSA-N	-1	0	255.270	0.313	20	30		CCEDRM
C#CC[C@@H](NC(=O)[C@@H]1Cc2ccccc2C(=O)O1)C(=O)[O-]	ZINC001588407122	983427209	/nfs/dbraw/zinc/42/72/09/983427209.db2.gz	WSPAOBCQQPNASQ-NEPJUHHUSA-N	-1	0	287.271	0.361	20	30		CCEDRM
C#CC[C@@H](NC(=O)[C@H](C)NC(=O)OC(C)(C)C)C(=O)[O-]	ZINC001588407413	983428302	/nfs/dbraw/zinc/42/83/02/983428302.db2.gz	HMTFZISBJLAWCG-DTWKUNHWSA-N	-1	0	284.312	0.492	20	30		CCEDRM
C#CC[C@H](NC(=O)[C@H]1CCCC[C@H]1C(=O)OC)C(=O)[O-]	ZINC001588407587	983428675	/nfs/dbraw/zinc/42/86/75/983428675.db2.gz	KKOFRTQKCAESBA-AXFHLTTASA-N	-1	0	281.308	0.559	20	30		CCEDRM
C#CC[C@@H](NC(=O)Cc1ccc(O)c(O)c1)C(=O)[O-]	ZINC001588407907	983429501	/nfs/dbraw/zinc/42/95/01/983429501.db2.gz	QSHKNAXKWRQXNZ-SECBINFHSA-N	-1	0	263.249	0.233	20	30		CCEDRM
C#CC[C@H](NC(=O)c1cc(F)cc(C(=O)OC)c1)C(=O)[O-]	ZINC001588414545	983434571	/nfs/dbraw/zinc/43/45/71/983434571.db2.gz	VOSACVPTSYAVPE-NSHDSACASA-N	-1	0	293.250	0.819	20	30		CCEDRM
C#CC[C@@H](NC(=O)c1cnc2nccnc2c1)C(=O)[O-]	ZINC001588416872	983437560	/nfs/dbraw/zinc/43/75/60/983437560.db2.gz	RZTGAWDLFGSOTA-SECBINFHSA-N	-1	0	270.248	0.231	20	30		CCEDRM
C#CC[C@H](NC(=O)c1ccc2nnc(C)n2c1)C(=O)[O-]	ZINC001588416988	983437836	/nfs/dbraw/zinc/43/78/36/983437836.db2.gz	UBOCRYLPUSIVLE-JTQLQIEISA-N	-1	0	272.264	0.244	20	30		CCEDRM
C#CC[C@@H](NC1CCC(C(=O)[O-])CC1)C(=O)OC	ZINC001588422185	983445102	/nfs/dbraw/zinc/44/51/02/983445102.db2.gz	SOLLSTPEDYRVOE-VQXHTEKXSA-N	-1	0	253.298	0.784	20	30		CCEDRM
C#CC[C@@H]1CCN(S(=O)(=O)C[C@@H](C)C(=O)[O-])C1	ZINC001588434317	983469432	/nfs/dbraw/zinc/46/94/32/983469432.db2.gz	JDAVNHKMRPXTKY-NXEZZACHSA-N	-1	0	259.327	0.382	20	30		CCEDRM
C#CCN(C(=O)[C@H]1C[C@H]1C(=O)[O-])C1CCN(CC#N)CC1	ZINC001588460296	983488109	/nfs/dbraw/zinc/48/81/09/983488109.db2.gz	XENVFGZUGGUZMP-QWHCGFSZSA-N	-1	0	289.335	0.157	20	30		CCEDRM
C#CCN(C)C(=O)C(=O)Nc1cc(F)c(C(=O)[O-])c(F)c1	ZINC001588460991	983488585	/nfs/dbraw/zinc/48/85/85/983488585.db2.gz	ARJJYQWMRHFIKG-UHFFFAOYSA-N	-1	0	296.229	0.693	20	30		CCEDRM
C#CCN1CCC[C@@H](NC(=O)CCCC(=O)[O-])C1	ZINC001588475692	983508765	/nfs/dbraw/zinc/50/87/65/983508765.db2.gz	GIERJNPQFRUSTI-LLVKDONJSA-N	-1	0	252.314	0.455	20	30		CCEDRM
C#CCN1CCC[C@@H](NC(=O)N2CC[C@@H](C(=O)[O-])C2)C1	ZINC001588477396	983516033	/nfs/dbraw/zinc/51/60/33/983516033.db2.gz	ZFWBIKUFCVDOHC-VXGBXAGGSA-N	-1	0	279.340	0.200	20	30		CCEDRM
C#CCNC(=O)COC(=O)C12CCC(C(=O)[O-])(CC1)C2	ZINC001588483754	983521962	/nfs/dbraw/zinc/52/19/62/983521962.db2.gz	GXAOYSYTOVYSFR-UHFFFAOYSA-N	-1	0	279.292	0.314	20	30		CCEDRM
C#CCNC(=O)CC[NH2+]Cc1ncc(C(=O)[O-])s1	ZINC001588484140	983523281	/nfs/dbraw/zinc/52/32/81/983523281.db2.gz	SPZHHOTVYWCZFP-UHFFFAOYSA-N	-1	0	267.310	0.070	20	30		CCEDRM
C#CCOCCC(=O)N[C@H]1C[C@H]2C[C@@H](C(=O)[O-])C[C@H]21	ZINC001588489728	983529065	/nfs/dbraw/zinc/52/90/65/983529065.db2.gz	KNCQEFNYICQLKS-KKOKHZNYSA-N	-1	0	265.309	0.642	20	30		CCEDRM
C#CCn1cc(CNc2ccc(C(=O)[O-])nn2)cn1	ZINC001588509476	983553039	/nfs/dbraw/zinc/55/30/39/983553039.db2.gz	HFLZSJNPSXGNPE-UHFFFAOYSA-N	-1	0	257.253	0.617	20	30		CCEDRM
C#Cc1ccc(C(=O)NC2(C(=O)[O-])CCOCC2)nc1	ZINC001588510449	983555679	/nfs/dbraw/zinc/55/56/79/983555679.db2.gz	DJSGVNHRHSPDJH-UHFFFAOYSA-N	-1	0	274.276	0.427	20	30		CCEDRM
C#Cc1ccc(S(=O)(=O)N[C@H](COC)C(=O)[O-])cc1	ZINC001588517848	983566678	/nfs/dbraw/zinc/56/66/78/983566678.db2.gz	HVTKXIXSNNGXFF-LLVKDONJSA-N	-1	0	283.305	0.046	20	30		CCEDRM
C#Cc1cncc(C(=O)NC[C@@]2(C(=O)[O-])CCOC2)c1	ZINC001588528968	983579306	/nfs/dbraw/zinc/57/93/06/983579306.db2.gz	NIUNHHIFAIHVAI-AWEZNQCLSA-N	-1	0	274.276	0.284	20	30		CCEDRM
C=C(Br)CN1CCC[C@H](O)[C@H]1C(=O)[O-]	ZINC001588529363	983581006	/nfs/dbraw/zinc/58/10/06/983581006.db2.gz	XFIDYEWBUBGSBE-YUMQZZPRSA-N	-1	0	264.119	0.805	20	30		CCEDRM
C=C(C)C(C)(C)C(=O)N(C)CCNC(=O)[C@@H]1C[C@@H]1C(=O)[O-]	ZINC001588529977	983583145	/nfs/dbraw/zinc/58/31/45/983583145.db2.gz	OFJQQNNKTZTCNG-MNOVXSKESA-N	-1	0	296.367	0.884	20	30		CCEDRM
CCN(CC(=O)N[C@](C)(C#N)C1CC1)C(C)(C)C(=O)[O-]	ZINC001596201985	983587664	/nfs/dbraw/zinc/58/76/64/983587664.db2.gz	OVEPPRPARWACND-CQSZACIVSA-N	-1	0	281.356	0.980	20	30		CCEDRM
C=C(C)[C@H]1OCC[C@@H]1CN1C(=O)N[C@H](CCC(=O)[O-])C1=O	ZINC001588535428	983589018	/nfs/dbraw/zinc/58/90/18/983589018.db2.gz	OLTQKWIFHWKNPJ-CKYFFXLPSA-N	-1	0	296.323	0.753	20	30		CCEDRM
C=C(C)C[C@H](NC(=O)[C@@H]1CC(=O)N(CCC)C1)C(=O)[O-]	ZINC001588537085	983597557	/nfs/dbraw/zinc/59/75/57/983597557.db2.gz	HYKOGOCSVWLKLG-MNOVXSKESA-N	-1	0	282.340	0.781	20	30		CCEDRM
C=C(C)C[C@@H](NC(=O)C(=O)N1CCC[C@@H](C)C1)C(=O)[O-]	ZINC001588537514	983600232	/nfs/dbraw/zinc/60/02/32/983600232.db2.gz	QXGGCRGRSGZGTB-GHMZBOCLSA-N	-1	0	282.340	0.781	20	30		CCEDRM
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C=C(C)C[C@@H](NC(=O)CCN1C(=O)CCC1=O)C(=O)[O-]	ZINC001588541433	983607653	/nfs/dbraw/zinc/60/76/53/983607653.db2.gz	ZEPNSEMJLWKEPZ-SECBINFHSA-N	-1	0	282.296	0.061	20	30		CCEDRM
C=C(C)C[C@@H](NC(=O)c1cc([N+](=O)[O-])cnc1N)C(=O)[O-]	ZINC001588546353	983615216	/nfs/dbraw/zinc/61/52/16/983615216.db2.gz	HXIUDVPAOFMBPK-SECBINFHSA-N	-1	0	294.267	0.721	20	30		CCEDRM
C=C(C)C[C@@H](NC(C)=O)C(=O)N(C)CCCC(=O)[O-]	ZINC001588547433	983619989	/nfs/dbraw/zinc/61/99/89/983619989.db2.gz	JSMNKARCOHACFM-LLVKDONJSA-N	-1	0	270.329	0.781	20	30		CCEDRM
CCN(C[C@H](C)C#N)CN1C[C@@H](C(=O)[O-])OC1=O	ZINC001596230960	983625312	/nfs/dbraw/zinc/62/53/12/983625312.db2.gz	DRCCDWGYSSEKDQ-BDAKNGLRSA-N	-1	0	255.274	0.331	20	30		CCEDRM
C=C(C)C[C@H](NC(C)=O)C(=O)N[C@@H](C)/C=C/C(=O)[O-]	ZINC001588548941	983625979	/nfs/dbraw/zinc/62/59/79/983625979.db2.gz	ZJKDYDBXZGVDGN-IYZHVSIOSA-N	-1	0	268.313	0.603	20	30		CCEDRM
C=C(C)C[C@H](NS(=O)(=O)C[C@@H](OC)C(C)C)C(=O)[O-]	ZINC001588553087	983627366	/nfs/dbraw/zinc/62/73/66/983627366.db2.gz	GSWBHLHORJDQPJ-WDEREUQCSA-N	-1	0	293.385	0.996	20	30		CCEDRM
C=C(C)CN(C)C(=O)C(=O)NCCCCC(=O)[O-]	ZINC001588561574	983641909	/nfs/dbraw/zinc/64/19/09/983641909.db2.gz	MWECQRDKFAFJRB-UHFFFAOYSA-N	-1	0	256.302	0.392	20	30		CCEDRM
C=C(CC)CNC(=O)N1CC[C@H](n2cc(C(=O)[O-])nn2)C1	ZINC001588605815	983694754	/nfs/dbraw/zinc/69/47/54/983694754.db2.gz	OQVKUYYOOURKFV-JTQLQIEISA-N	-1	0	293.327	0.899	20	30		CCEDRM
C=C(CCC(=O)[O-])C(=O)N1CCC[C@@H]1C(=O)NC1CC1	ZINC001588615330	983711297	/nfs/dbraw/zinc/71/12/97/983711297.db2.gz	QNTMVDXLBNCUIH-LLVKDONJSA-N	-1	0	280.324	0.677	20	30		CCEDRM
C=C(CCC(=O)[O-])C(=O)N1CCC[C@@H](NC(=O)NC)C1	ZINC001588615576	983712666	/nfs/dbraw/zinc/71/26/66/983712666.db2.gz	YXGKQVNCQLDYOL-SNVBAGLBSA-N	-1	0	283.328	0.327	20	30		CCEDRM
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CCN(CCC#N)C(=O)Cn1nc(C(=O)[O-])nc1Cl	ZINC001596299368	983723127	/nfs/dbraw/zinc/72/31/27/983723127.db2.gz	DRDXCDVQFKCNTM-UHFFFAOYSA-N	-1	0	285.691	0.392	20	30		CCEDRM
CCN(CCC#N)S(=O)(=O)c1cccnc1C(=O)[O-]	ZINC001596300328	983729037	/nfs/dbraw/zinc/72/90/37/983729037.db2.gz	UZLNSARBVDLJBI-UHFFFAOYSA-N	-1	0	283.309	0.704	20	30		CCEDRM
C=C(CCC(=O)[O-])C(=O)NC[C@H](CO)Cc1ccco1	ZINC001588623723	983729555	/nfs/dbraw/zinc/72/95/55/983729555.db2.gz	VOZHVMAAAJFRHY-LLVKDONJSA-N	-1	0	281.308	0.968	20	30		CCEDRM
C=C(CCC(=O)[O-])C(=O)NCCC(=O)OC(C)C	ZINC001588624307	983731058	/nfs/dbraw/zinc/73/10/58/983731058.db2.gz	DSBGTNXXIVWTTR-UHFFFAOYSA-N	-1	0	257.286	0.865	20	30		CCEDRM
C=C(CCC(=O)[O-])C(=O)NC[C@H]1CCCS(=O)(=O)C1	ZINC001588624277	983731242	/nfs/dbraw/zinc/73/12/42/983731242.db2.gz	CXTUEJVQBBAWIQ-SNVBAGLBSA-N	-1	0	289.353	0.348	20	30		CCEDRM
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C=C(CCC(=O)OC)C(=O)N[C@@H](C(=O)[O-])C(C)C	ZINC001588633877	983751301	/nfs/dbraw/zinc/75/13/01/983751301.db2.gz	TUYKBDUUUPTFTA-SNVBAGLBSA-N	-1	0	257.286	0.721	20	30		CCEDRM
C=C(CCC(=O)OC)C(=O)NC[C@@H](C(=O)[O-])[C@@H]1CCOC1	ZINC001588634036	983751675	/nfs/dbraw/zinc/75/16/75/983751675.db2.gz	VDWBPWJFKBXNPV-GHMZBOCLSA-N	-1	0	299.323	0.349	20	30		CCEDRM
C=C(COC(=O)C12CC(C(=O)[O-])(C1)C2)C(=O)OCC	ZINC001588637027	983758048	/nfs/dbraw/zinc/75/80/48/983758048.db2.gz	CSOKJVNIQZJQKD-UHFFFAOYSA-N	-1	0	268.265	0.904	20	30		CCEDRM
C=C(CO)C(=O)N[C@H](C(=O)[O-])c1ccccc1F	ZINC001588636996	983758099	/nfs/dbraw/zinc/75/80/99/983758099.db2.gz	BYURWMFBXYNVAF-JTQLQIEISA-N	-1	0	253.229	0.616	20	30		CCEDRM
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C=C(CO)C(=O)N1CCc2ccc(C(=O)[O-])nc2C1	ZINC001588637480	983760301	/nfs/dbraw/zinc/76/03/01/983760301.db2.gz	PLDDEQDYODZUBA-UHFFFAOYSA-N	-1	0	262.265	0.213	20	30		CCEDRM
C=C[C@H](C(=O)[O-])N1CCN(c2nc(CC)ns2)CC1	ZINC001588668838	983806321	/nfs/dbraw/zinc/80/63/21/983806321.db2.gz	ANTXZYFQIDWXPM-SECBINFHSA-N	-1	0	282.369	0.862	20	30		CCEDRM
C=C[C@@](C)(O)CC(=O)NC[C@H]1[C@@H](C(=O)[O-])C1(F)F	ZINC001588684804	983864533	/nfs/dbraw/zinc/86/45/33/983864533.db2.gz	YPPBLURYOSVNRM-KADJCCMJSA-N	-1	0	263.240	0.396	20	30		CCEDRM
C=C[C@@H](CC)OC(=O)CN1CCC[C@H](C(=O)[O-])C1=O	ZINC001588692458	983881785	/nfs/dbraw/zinc/88/17/85/983881785.db2.gz	BYUHEEIEZHXNKY-UWVGGRQHSA-N	-1	0	269.297	0.817	20	30		CCEDRM
C=C[C@H](O)C(=O)N1C[C@@H](C(=O)[O-])Oc2cc(F)ccc21	ZINC001588702053	983918109	/nfs/dbraw/zinc/91/81/09/983918109.db2.gz	HLKLFCDCSWYZRR-ONGXEEELSA-N	-1	0	281.239	0.551	20	30		CCEDRM
C=C[C@@H](O)C(=O)N1C[C@H](C(=O)[O-])Oc2cc(F)ccc21	ZINC001588702052	983918356	/nfs/dbraw/zinc/91/83/56/983918356.db2.gz	HLKLFCDCSWYZRR-MWLCHTKSSA-N	-1	0	281.239	0.551	20	30		CCEDRM
C=C[C@@H](OC(=O)c1cn(C[C@@H]2CCOC2)nn1)C(=O)[O-]	ZINC001588711592	983938489	/nfs/dbraw/zinc/93/84/89/983938489.db2.gz	BKRQZGUMLHCFOH-WCBMZHEXSA-N	-1	0	281.268	0.111	20	30		CCEDRM
C=C[C@@H](OC(=O)c1cnc2c(c1)NC(=O)CN2C)C(=O)[O-]	ZINC001588712414	983943781	/nfs/dbraw/zinc/94/37/81/983943781.db2.gz	KVAQVWHZPQIGLY-SECBINFHSA-N	-1	0	291.263	0.266	20	30		CCEDRM
C=C[C@@H](OC(=O)c1cn(C)nc1-c1cnn(C)c1)C(=O)[O-]	ZINC001588713129	983947626	/nfs/dbraw/zinc/94/76/26/983947626.db2.gz	QRHQAMFSLKQGMU-SNVBAGLBSA-N	-1	0	290.279	0.617	20	30		CCEDRM
C=CC[C@@H](C(=O)[O-])N1CCc2c(nnn2CCOC)C1	ZINC001588731146	984006628	/nfs/dbraw/zinc/00/66/28/984006628.db2.gz	CTTFIYAAWPENPL-LBPRGKRZSA-N	-1	0	280.328	0.312	20	30		CCEDRM
C=CC[C@H](C)NC(=O)N1CC[C@H](n2cc(C(=O)[O-])nn2)C1	ZINC001588736043	984023059	/nfs/dbraw/zinc/02/30/59/984023059.db2.gz	CLXHVOOYUSHQDF-UWVGGRQHSA-N	-1	0	293.327	0.897	20	30		CCEDRM
C=CC[C@@H](NC(=O)c1ccc(C(=O)[O-])n1C)C(=O)OCC	ZINC001588743455	984037211	/nfs/dbraw/zinc/03/72/11/984037211.db2.gz	WUYVZIRMFLCQOA-SECBINFHSA-N	-1	0	294.307	0.961	20	30		CCEDRM
C=CC[C@H](CO)NC(=O)Nc1ccc(C(=O)[O-])nc1	ZINC001588744531	984043233	/nfs/dbraw/zinc/04/32/33/984043233.db2.gz	OFZYIHRQFHIGLC-SECBINFHSA-N	-1	0	265.269	0.838	20	30		CCEDRM
C=CC[C@H](NCc1nnc2n1CCCC2)C(=O)[O-]	ZINC001588748950	984063124	/nfs/dbraw/zinc/06/31/24/984063124.db2.gz	BLFQGXQAPIRBPX-VIFPVBQESA-N	-1	0	250.302	0.733	20	30		CCEDRM
C=CC[C@@H](OC(=O)[C@H]1CCN(C)C(=O)C1)C(=O)[O-]	ZINC001588753604	984087376	/nfs/dbraw/zinc/08/73/76/984087376.db2.gz	KNPNPTIJWXLSAV-DTWKUNHWSA-N	-1	0	255.270	0.427	20	30		CCEDRM
C=CCC1(C(=O)NC[C@H](O)CC(=O)[O-])CCOCC1	ZINC001588763705	984120761	/nfs/dbraw/zinc/12/07/61/984120761.db2.gz	WXNYPWKTRZACIE-SNVBAGLBSA-N	-1	0	271.313	0.311	20	30		CCEDRM
C=CC[C@@H]1CCCN(C(=O)C(=O)NC[C@H]2C[C@H]2C(=O)[O-])C1	ZINC001588770600	984135012	/nfs/dbraw/zinc/13/50/12/984135012.db2.gz	BHRJKKUBLCBJQA-IJLUTSLNSA-N	-1	0	294.351	0.638	20	30		CCEDRM
C=CCC[C@@H](O)CN[C@@H](C(=O)[O-])c1ccnn1C	ZINC001588778745	984162525	/nfs/dbraw/zinc/16/25/25/984162525.db2.gz	KXRRGECTRCVYST-MWLCHTKSSA-N	-1	0	253.302	0.463	20	30		CCEDRM
C=CCCC[C@@H](NC(=O)C(C)(C)S(C)(=O)=O)C(=O)[O-]	ZINC001588786207	984182952	/nfs/dbraw/zinc/18/29/52/984182952.db2.gz	NQRKSKUKWXXNDI-SECBINFHSA-N	-1	0	291.369	0.735	20	30		CCEDRM
C=CCCC[C@@H](NC(=O)Cn1cc([N+](=O)[O-])cn1)C(=O)[O-]	ZINC001588794263	984225813	/nfs/dbraw/zinc/22/58/13/984225813.db2.gz	PMQLWPZPBNFWJD-SNVBAGLBSA-N	-1	0	296.283	0.717	20	30		CCEDRM
C=CCCO[C@@H](C)C(=O)N1CCN(CC(=O)[O-])CC1	ZINC001588808993	984264750	/nfs/dbraw/zinc/26/47/50/984264750.db2.gz	UUKXVCCEWGDVQG-NSHDSACASA-N	-1	0	270.329	0.196	20	30		CCEDRM
C=CCCn1cc(C(=O)N[C@H](C)/C=C/C(=O)[O-])nn1	ZINC001588817904	984278069	/nfs/dbraw/zinc/27/80/69/984278069.db2.gz	XWCUQDXKTNPCKY-VUHVRTRXSA-N	-1	0	264.285	0.613	20	30		CCEDRM
C=CCN(C(=O)C(=O)Nc1nn(C)cc1C(=O)[O-])C1CC1	ZINC001588819709	984278718	/nfs/dbraw/zinc/27/87/18/984278718.db2.gz	AMLRYABHDKHPJU-UHFFFAOYSA-N	-1	0	292.295	0.234	20	30		CCEDRM
C=CCN(CC=C)C(=O)[C@@H](C)N1C[C@H](C)O[C@H](C(=O)[O-])C1	ZINC001588825192	984299132	/nfs/dbraw/zinc/29/91/32/984299132.db2.gz	FZIHAWINYGUJAZ-XQQFMLRXSA-N	-1	0	296.367	0.749	20	30		CCEDRM
C=CCNC(=O)[C@@H](C)OC(=O)c1cc(C(=O)[O-])co1	ZINC001588838841	984342168	/nfs/dbraw/zinc/34/21/68/984342168.db2.gz	JZUFHCYWACHYIO-SSDOTTSWSA-N	-1	0	267.237	0.825	20	30		CCEDRM
C=CCN1CC[C@H](N2CCCC[C@@]2(COC)C(=O)[O-])C1=O	ZINC001588838935	984342882	/nfs/dbraw/zinc/34/28/82/984342882.db2.gz	MLDPUMIMXLRQRV-SWLSCSKDSA-N	-1	0	296.367	0.729	20	30		CCEDRM
C=CCN1CC[C@@H](N[C@H](C(=O)[O-])c2cccc(O)c2)C1=O	ZINC001588839058	984344464	/nfs/dbraw/zinc/34/44/64/984344464.db2.gz	NULUAIGGYVYYOV-OLZOCXBDSA-N	-1	0	290.319	0.894	20	30		CCEDRM
C=CCNC(=O)C(=O)N1C[C@H](C(=O)[O-])Oc2ccccc21	ZINC001588839468	984347338	/nfs/dbraw/zinc/34/73/38/984347338.db2.gz	QZFLLDMUNHGRDE-LLVKDONJSA-N	-1	0	290.275	0.167	20	30		CCEDRM
C=CCNC(=O)CNC(=O)c1cccc(CC(=O)[O-])c1	ZINC001588844845	984361082	/nfs/dbraw/zinc/36/10/82/984361082.db2.gz	XAVAUXWXZKXFQS-UHFFFAOYSA-N	-1	0	276.292	0.346	20	30		CCEDRM
C=CCNc1ncc(C(=O)N2CC[C@](O)(C(=O)[O-])C2)s1	ZINC001588849187	984368891	/nfs/dbraw/zinc/36/88/91/984368891.db2.gz	CCWFGAYDTCBUEA-GFCCVEGCSA-N	-1	0	297.336	0.403	20	30		CCEDRM
C=CCOC[C@H](NC(=O)[C@](C)(OC)C1CC1)C(=O)[O-]	ZINC001588851047	984382706	/nfs/dbraw/zinc/38/27/06/984382706.db2.gz	QROXALFRFZVJEN-GXFFZTMASA-N	-1	0	271.313	0.574	20	30		CCEDRM
C=CCOC[C@@H](NC(=O)[C@H](C)c1cncnc1)C(=O)[O-]	ZINC001588855346	984392257	/nfs/dbraw/zinc/39/22/57/984392257.db2.gz	FJKBDSXUENOMSD-MWLCHTKSSA-N	-1	0	279.296	0.352	20	30		CCEDRM
C=CCOC[C@H](NC(=O)[C@@H]1CCC[C@@H](C(N)=O)C1)C(=O)[O-]	ZINC001588855411	984392845	/nfs/dbraw/zinc/39/28/45/984392845.db2.gz	FZPANGHMLLQTGE-MXWKQRLJSA-N	-1	0	298.339	0.050	20	30		CCEDRM
C=CCOC[C@H](NC(=O)OCC(F)(F)F)C(=O)[O-]	ZINC001588856386	984399501	/nfs/dbraw/zinc/39/95/01/984399501.db2.gz	IAXRRQFPFNVJQC-LURJTMIESA-N	-1	0	271.191	0.931	20	30		CCEDRM
C=CCOC[C@H](NC(=O)c1ccc(C#N)cc1)C(=O)[O-]	ZINC001588859156	984403571	/nfs/dbraw/zinc/40/35/71/984403571.db2.gz	BHOKEPGBBWONCT-LBPRGKRZSA-N	-1	0	274.276	0.944	20	30		CCEDRM
C=CCOC[C@@H](NC(=O)c1ccc(C#N)c(O)c1)C(=O)[O-]	ZINC001588859843	984408784	/nfs/dbraw/zinc/40/87/84/984408784.db2.gz	YSWZIEYYHWWCLR-LLVKDONJSA-N	-1	0	290.275	0.649	20	30		CCEDRM
C=CCOC[C@@H](NC(=O)c1cnc2[nH]ccc2c1)C(=O)[O-]	ZINC001588859901	984409234	/nfs/dbraw/zinc/40/92/34/984409234.db2.gz	ARTRBAAHPXEMRE-LLVKDONJSA-N	-1	0	289.291	0.900	20	30		CCEDRM
C=CCOC[C@@H](NC(=O)c1cnc2c[nH]nc2c1)C(=O)[O-]	ZINC001588860059	984410064	/nfs/dbraw/zinc/41/00/64/984410064.db2.gz	HNENGCJIPMZAPR-LLVKDONJSA-N	-1	0	290.279	0.344	20	30		CCEDRM
C=CCOC[C@H](NCc1ccc(OC)cn1)C(=O)[O-]	ZINC001588865902	984421324	/nfs/dbraw/zinc/42/13/24/984421324.db2.gz	FNDCFHAGLQBPCC-LBPRGKRZSA-N	-1	0	266.297	0.836	20	30		CCEDRM
C=CCOCCn1nnnc1N1CCC[C@@](C)(C(=O)[O-])C1	ZINC001588868917	984436291	/nfs/dbraw/zinc/43/62/91/984436291.db2.gz	ZIHZBYCKNFFQRO-CYBMUJFWSA-N	-1	0	295.343	0.567	20	30		CCEDRM
C=CCOCCN1C(=O)[C@H]2CC[C@@H](C(=O)[O-])CN2C1=O	ZINC001588869101	984438217	/nfs/dbraw/zinc/43/82/17/984438217.db2.gz	RPGOBCYHAYZHTP-NXEZZACHSA-N	-1	0	282.296	0.316	20	30		CCEDRM
C=CCn1c([C@@H]2CC=NO2)nnc1N1CC[C@@H](C(=O)[O-])C1	ZINC001588896100	984499055	/nfs/dbraw/zinc/49/90/55/984499055.db2.gz	GFKCSNXSUMDZSB-ZJUUUORDSA-N	-1	0	291.311	0.822	20	30		CCEDRM
C=CCn1cc(C(=O)Nc2ccc(C(=O)[O-])cn2)nn1	ZINC001588909787	984545337	/nfs/dbraw/zinc/54/53/37/984545337.db2.gz	AFYILPSIVMDAKB-UHFFFAOYSA-N	-1	0	273.252	0.810	20	30		CCEDRM
C=CCn1c([C@@H](C)O)nnc1N1C[C@H](C)O[C@H](C(=O)[O-])C1	ZINC001588910048	984547259	/nfs/dbraw/zinc/54/72/59/984547259.db2.gz	HWCDHTQIBOKGRW-AEJSXWLSSA-N	-1	0	296.327	0.196	20	30		CCEDRM
C=C[C@@H]1OCC[C@H]1C(=O)N1CCC[C@]1(COC)C(=O)[O-]	ZINC001588916815	984563564	/nfs/dbraw/zinc/56/35/64/984563564.db2.gz	GMAFSZFPWROWQE-SUNKGSAMSA-N	-1	0	283.324	0.670	20	30		CCEDRM
C=C[C@@H]1OCC[C@H]1CNC(=O)N1C[C@H](O)C[C@H](C(=O)[O-])C1	ZINC001588917812	984567495	/nfs/dbraw/zinc/56/74/95/984567495.db2.gz	ARUGEASTXJONFD-YFKTTZPYSA-N	-1	0	298.339	0.055	20	30		CCEDRM
CC#CCCCC(=O)N1CC(NC(=O)[C@@H]2C[C@@H]2C(=O)[O-])C1	ZINC001588924721	984582648	/nfs/dbraw/zinc/58/26/48/984582648.db2.gz	CCKUCCQGTDBRDM-NEPJUHHUSA-N	-1	0	292.335	0.228	20	30		CCEDRM
C/C(=C\COC(=O)[C@@H](C)n1cnc(C#N)n1)C(=O)[O-]	ZINC001588987461	984902536	/nfs/dbraw/zinc/90/25/36/984902536.db2.gz	UKDWWYNSLHHPEH-HOOMWESVSA-N	-1	0	264.241	0.285	20	30		CCEDRM
C[C@H]1CN(C(=O)c2ccc(C#N)n2C)C[C@@H](C(=O)[O-])O1	ZINC001599925828	985198570	/nfs/dbraw/zinc/19/85/70/985198570.db2.gz	VCYONAPBJLNKAA-KWQFWETISA-N	-1	0	277.280	0.211	20	30		CCEDRM
Cc1[nH]c(C#N)cc1C(=O)N[C@@H](Cn1ccnc1)C(=O)[O-]	ZINC001599942447	985471318	/nfs/dbraw/zinc/47/13/18/985471318.db2.gz	KHWOVVCGBCEQBB-NSHDSACASA-N	-1	0	287.279	0.275	20	30		CCEDRM
CCOCCS(=O)(=O)N1CCC(C#N)(C(=O)[O-])CC1	ZINC001596939811	986071517	/nfs/dbraw/zinc/07/15/17/986071517.db2.gz	URQPERFYEHSQQK-UHFFFAOYSA-N	-1	0	290.341	0.043	20	30		CCEDRM
Cc1c(C(=O)N[C@H](C)/C=C\C(=O)[O-])cnn1CCC#N	ZINC001599979005	986135584	/nfs/dbraw/zinc/13/55/84/986135584.db2.gz	PZADOVMIHSKRLA-XRVBUDJMSA-N	-1	0	276.296	0.864	20	30		CCEDRM
C[C@H](C#N)C(=O)N[C@@H](Cc1ccccc1O)C(=O)[O-]	ZINC001589328952	986160186	/nfs/dbraw/zinc/16/01/86/986160186.db2.gz	HCXADXYHDMHFOV-SCZZXKLOSA-N	-1	0	262.265	0.664	20	30		CCEDRM
C[C@@H](C(=O)N[C@H]1CCC[C@H]1C(=O)[O-])n1cnc(C#N)n1	ZINC001589424169	986689163	/nfs/dbraw/zinc/68/91/63/986689163.db2.gz	ZPHVGHCYIAHYEH-YIZRAAEISA-N	-1	0	277.284	0.080	20	30		CCEDRM
C[C@@H](C(=O)N[C@H]1C[C@@H]2C[C@]2(C(=O)[O-])C1)n1cnc(C#N)n1	ZINC001589430107	986713979	/nfs/dbraw/zinc/71/39/79/986713979.db2.gz	QQYLUBQUDVIVTM-ZZIUEJKTSA-N	-1	0	289.295	0.080	20	30		CCEDRM
C[C@H](CC(=O)[O-])OC(=O)[C@H](C)n1cnc(C#N)n1	ZINC001589546276	987267423	/nfs/dbraw/zinc/26/74/23/987267423.db2.gz	FCNPMYYJVGZMNT-RQJHMYQMSA-N	-1	0	252.230	0.117	20	30		CCEDRM
C[C@@H]1CN(c2nnc([C@H]3C[C@H]3C#N)n2C)C[C@H]1CC(=O)[O-]	ZINC001599870563	989343554	/nfs/dbraw/zinc/34/35/54/989343554.db2.gz	UVDRYGQMTKWIAK-YTWAJWBKSA-N	-1	0	289.339	0.989	20	30		CCEDRM
C[C@@H]1C[C@H](C(=O)Nc2cccc(CC#N)n2)O[C@H]1C(=O)[O-]	ZINC001599876383	989424499	/nfs/dbraw/zinc/42/44/99/989424499.db2.gz	LXUNVXHDVYFNSO-HLUHBDAQSA-N	-1	0	289.291	0.964	20	30		CCEDRM
CC(C)(C)c1nnc(CN(CC#N)CCC(=O)[O-])[nH]1	ZINC001590538638	990160870	/nfs/dbraw/zinc/16/08/70/990160870.db2.gz	JWJGXYHLTZMZRO-UHFFFAOYSA-N	-1	0	265.317	0.902	20	30		CCEDRM
CN(C(=O)[C@H]([NH3+])CCC(=O)[O-])[C@H]1CCC[C@@H]1C#N	ZINC001598069237	990365526	/nfs/dbraw/zinc/36/55/26/990365526.db2.gz	YNMGIDUUKKMELR-BBBLOLIVSA-N	-1	0	253.302	0.329	20	30		CCEDRM
CN([C@@](C)(C#N)C1CC1)S(=O)(=O)c1n[nH]cc1C(=O)[O-]	ZINC001598106667	990489576	/nfs/dbraw/zinc/48/95/76/990489576.db2.gz	PKHFIPHEUSUAMU-NSHDSACASA-N	-1	0	298.324	0.421	20	30		CCEDRM
CC(C)C#CC(=O)N1CCc2[nH]nc(C(=O)[O-])c2C1	ZINC001590927212	990931731	/nfs/dbraw/zinc/93/17/31/990931731.db2.gz	VYFMJLPGEOEBJS-UHFFFAOYSA-N	-1	0	261.281	0.652	20	30		CCEDRM
CC(C)[C@](C)(C#N)NC(=O)CN1CCC[C@@]1(C)C(=O)[O-]	ZINC001590961211	991056704	/nfs/dbraw/zinc/05/67/04/991056704.db2.gz	OMVRMNDLCQBNOY-KBPBESRZSA-N	-1	0	281.356	0.980	20	30		CCEDRM
CN(C)c1cc(C#N)cc(C(=O)NC[C@@](C)(O)C(=O)[O-])c1	ZINC001598288601	991196830	/nfs/dbraw/zinc/19/68/30/991196830.db2.gz	YVAMIJRTOAWVLB-CQSZACIVSA-N	-1	0	291.307	0.190	20	30		CCEDRM
CN(CC#N)C[C@H](O)COc1ccc(C(=O)[O-])cc1	ZINC001598375964	991562703	/nfs/dbraw/zinc/56/27/03/991562703.db2.gz	JPCJYKWJLFMWQM-NSHDSACASA-N	-1	0	264.281	0.580	20	30		CCEDRM
CS[C@@H](C)C(=O)N1CCC(C#N)(C(=O)[O-])CC1	ZINC001599782008	992376660	/nfs/dbraw/zinc/37/66/60/992376660.db2.gz	DEWODXLMXMJRTQ-QMMMGPOBSA-N	-1	0	256.327	0.955	20	30		CCEDRM
CN(Cc1cccc(C#N)c1)Cn1cc(C(=O)[O-])nn1	ZINC001598525430	992714102	/nfs/dbraw/zinc/71/41/02/992714102.db2.gz	IPOURUKYGNGCND-UHFFFAOYSA-N	-1	0	271.280	0.937	20	30		CCEDRM
CN1CCOC[C@@H]1CNc1ccc(C(=O)[O-])nc1C#N	ZINC001598625583	994085610	/nfs/dbraw/zinc/08/56/10/994085610.db2.gz	PANNWTFZWRYBFG-VIFPVBQESA-N	-1	0	276.296	0.394	20	30		CCEDRM
C[C@@H](OC(=O)C1(C#N)CCOCC1)C(=O)C(C)(C)C(=O)[O-]	ZINC001593490990	995459325	/nfs/dbraw/zinc/45/93/25/995459325.db2.gz	JAMUGYOBNCIYTC-SECBINFHSA-N	-1	0	297.307	0.918	20	30		CCEDRM
C[C@H](OC(=O)c1cc(C#N)cs1)C(=O)C(=O)[O-]	ZINC001593552713	995631796	/nfs/dbraw/zinc/63/17/96/995631796.db2.gz	GHXKCGOJXAHLQB-YFKPBYRVSA-N	-1	0	253.235	0.819	20	30		CCEDRM
C[C@H](OC[C@H]1CCCCO1)C(=O)N(CC#N)CCC(=O)[O-]	ZINC001593606481	995784969	/nfs/dbraw/zinc/78/49/69/995784969.db2.gz	QNVNPLWVETXCOK-NWDGAFQWSA-N	-1	0	298.339	0.787	20	30		CCEDRM
C[C@@H](OC[C@H]1CCCCO1)C(=O)N(CC#N)CCC(=O)[O-]	ZINC001593606483	995784995	/nfs/dbraw/zinc/78/49/95/995784995.db2.gz	QNVNPLWVETXCOK-VXGBXAGGSA-N	-1	0	298.339	0.787	20	30		CCEDRM
C[C@@H](Sc1nc(C(=O)[O-])c[nH]1)C(=O)N(C)CCC#N	ZINC001593679428	996100492	/nfs/dbraw/zinc/10/04/92/996100492.db2.gz	JTEZMHYKUGXFCL-SSDOTTSWSA-N	-1	0	282.325	0.961	20	30		CCEDRM
C[C@@]1(C#N)CCCN(C(=O)Cn2cc(C(=O)[O-])nn2)C1	ZINC001593740858	996358711	/nfs/dbraw/zinc/35/87/11/996358711.db2.gz	WLMATVZGOUYTFB-LBPRGKRZSA-N	-1	0	277.284	0.129	20	30		CCEDRM
C[C@@]1(C#N)CCN(C(=O)CN2CCC[C@@H](C(=O)[O-])C2=O)C1	ZINC001593742659	996362014	/nfs/dbraw/zinc/36/20/14/996362014.db2.gz	CPTFKKPUTBWJEX-YGRLFVJLSA-N	-1	0	293.323	0.072	20	30		CCEDRM
CC(C)(CS(=O)(=O)N1CC(C)(C#N)C1)C(=O)[O-]	ZINC001593742918	996364002	/nfs/dbraw/zinc/36/40/02/996364002.db2.gz	GIOACFLUCZKGOR-UHFFFAOYSA-N	-1	0	260.315	0.272	20	30		CCEDRM
C[C@@]1(C#N)CCCN(S(=O)(=O)c2cc(C(=O)[O-])[nH]n2)C1	ZINC001593743025	996365007	/nfs/dbraw/zinc/36/50/07/996365007.db2.gz	NFMURIIVFJXPGT-NSHDSACASA-N	-1	0	298.324	0.422	20	30		CCEDRM
C[C@@]1(C#N)CN(C(=O)c2ccc(C(=O)[O-])cn2)CCO1	ZINC001593743285	996366739	/nfs/dbraw/zinc/36/67/39/996366739.db2.gz	MHNGAIFFLLKEHQ-CYBMUJFWSA-N	-1	0	275.264	0.534	20	30		CCEDRM
COC(=O)CCN(CC#N)C(=O)c1cccc(C(=O)[O-])n1	ZINC001598854593	996627370	/nfs/dbraw/zinc/62/73/70/996627370.db2.gz	DZMXAJKUPZREIE-UHFFFAOYSA-N	-1	0	291.263	0.309	20	30		CCEDRM
COC(=O)CCN(CC#N)C(=O)C[C@H](C)CC(=O)[O-]	ZINC001598855336	996633388	/nfs/dbraw/zinc/63/33/88/996633388.db2.gz	QWQGAAQWHKESPU-VIFPVBQESA-N	-1	0	270.285	0.403	20	30		CCEDRM
COc1cc(CNC(=O)NCC#CCO)ccc1C(=O)[O-]	ZINC001599411642	997432205	/nfs/dbraw/zinc/43/22/05/997432205.db2.gz	BSROJBWEOKJVLQ-UHFFFAOYSA-N	-1	0	292.291	0.188	20	30		CCEDRM
CON=CC(=O)N[C@H](CC1CCOCC1)C(=O)[O-]	ZINC001599319804	997560845	/nfs/dbraw/zinc/56/08/45/997560845.db2.gz	HIFXUBNCAFPTHI-SECBINFHSA-N	-1	0	258.274	0.005	20	30		CCEDRM
CON=CC(=O)N[C@](C)(Cc1ccc(F)cc1)C(=O)[O-]	ZINC001599320376	997571163	/nfs/dbraw/zinc/57/11/63/997571163.db2.gz	NHWQICVFPJXFDQ-CYBMUJFWSA-N	-1	0	282.271	0.960	20	30		CCEDRM
CO[C@H]1CCN(C(=O)c2ccc(C#N)nc2)[C@H](C(=O)[O-])C1	ZINC001599119686	997715949	/nfs/dbraw/zinc/71/59/49/997715949.db2.gz	GTBILUXRJVRKGY-RYUDHWBXSA-N	-1	0	289.291	0.657	20	30		CCEDRM
COCC#CC(=O)N[C@@H](C(=O)[O-])c1ccccc1F	ZINC001599138054	998077969	/nfs/dbraw/zinc/07/79/69/998077969.db2.gz	HEMDQTORXZFZGG-GFCCVEGCSA-N	-1	0	265.240	0.717	20	30		CCEDRM
COCC#CC(=O)NCc1ccccc1CC(=O)[O-]	ZINC001599138807	998091171	/nfs/dbraw/zinc/09/11/71/998091171.db2.gz	PSFCISNWNDXFSZ-UHFFFAOYSA-N	-1	0	261.277	0.580	20	30		CCEDRM
COC[C@H](C#N)OC(=O)c1cnccc1C(=O)[O-]	ZINC001599143799	998177507	/nfs/dbraw/zinc/17/75/07/998177507.db2.gz	GELZBBFLTLKHTL-ZETCQYMHSA-N	-1	0	250.210	0.475	20	30		CCEDRM
COc1cc(C(=O)[O-])ccc1NC(=O)NCC#CCO	ZINC001599372214	998427998	/nfs/dbraw/zinc/42/79/98/998427998.db2.gz	BRWLBFMXYDVPDB-UHFFFAOYSA-N	-1	0	278.264	0.511	20	30		CCEDRM
COC(CN(CCC(=O)[O-])C(=O)[C@@H](C)C#N)OC	ZINC001599046115	999151571	/nfs/dbraw/zinc/15/15/71/999151571.db2.gz	BHYBADRQEDOXGY-QMMMGPOBSA-N	-1	0	258.274	0.068	20	30		CCEDRM
COC(CN(CCC(=O)[O-])Cc1ccncc1C#N)OC	ZINC001599048592	999170239	/nfs/dbraw/zinc/17/02/39/999170239.db2.gz	ZOHMACMSCVYEJL-UHFFFAOYSA-N	-1	0	293.323	0.849	20	30		CCEDRM
CO[C@@]1(C(=O)[O-])CCN(C(=O)Cc2ccc(C#N)cc2)C1	ZINC001599071455	999335956	/nfs/dbraw/zinc/33/59/56/999335956.db2.gz	TZIRIODNSCANAS-HNNXBMFYSA-N	-1	0	288.303	0.803	20	30		CCEDRM
C=CCOC[C@H](NC(=O)c1nn(C)cc1C)C(=O)[O-]	ZINC000573340193	334929759	/nfs/dbraw/zinc/92/97/59/334929759.db2.gz	NHKBXTSCZVZZMG-VIFPVBQESA-N	-1	0	267.285	0.114	20	30		CCEDRM
C=CCN(C(=O)c1cc(=O)n(C)[n-]1)[C@@H](C)COC	ZINC000617583714	365687746	/nfs/dbraw/zinc/68/77/46/365687746.db2.gz	NZDNMFVYAWUDFU-VIFPVBQESA-N	-1	0	253.302	0.789	20	30		CCEDRM
N#Cc1nc(NC(=O)COCC(F)F)[n-]c1C#N	ZINC000600816171	362068197	/nfs/dbraw/zinc/06/81/97/362068197.db2.gz	KXOPANNEQIOYMI-UHFFFAOYSA-N	-1	0	255.184	0.373	20	30		CCEDRM
C[C@@]1(C(=O)[O-])CCCN1S(=O)(=O)CC1(C#N)CCC1	ZINC000600939949	362094658	/nfs/dbraw/zinc/09/46/58/362094658.db2.gz	LQVRSDHBDBUQMS-NSHDSACASA-N	-1	0	286.353	0.949	20	30		CCEDRM
N#Cc1cn(C2CN(C(=O)[C@@H]3CC34CC4)C2)c(=O)[n-]c1=O	ZINC000600833254	362076741	/nfs/dbraw/zinc/07/67/41/362076741.db2.gz	CPQHVTATUAKVPW-JTQLQIEISA-N	-1	0	286.291	0.004	20	30		CCEDRM
C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)CSCC(=O)[O-]	ZINC000600871095	362083879	/nfs/dbraw/zinc/08/38/79/362083879.db2.gz	AWMPJMNSRRTDOS-SKDRFNHKSA-N	-1	0	273.354	0.902	20	30		CCEDRM
N#Cc1ccc2c(c1)N(C(=O)CCc1nnn[n-]1)CC2	ZINC000601376789	362248803	/nfs/dbraw/zinc/24/88/03/362248803.db2.gz	RZYDIZFPLNHBRJ-UHFFFAOYSA-N	-1	0	268.280	0.593	20	30		CCEDRM
N#Cc1c[n-][nH]c1=NC(=O)[C@H]1COCCN1C1CCCC1	ZINC000601638763	362336444	/nfs/dbraw/zinc/33/64/44/362336444.db2.gz	KQEHQSNBYWORKW-GFCCVEGCSA-N	-1	0	289.339	0.285	20	30		CCEDRM
N#Cc1c[n-][nH]c1=NC(=O)c1cccnc1N1CCCC1	ZINC000601640606	362337069	/nfs/dbraw/zinc/33/70/69/362337069.db2.gz	IRTXMAJIBBRLCE-UHFFFAOYSA-N	-1	0	282.307	0.951	20	30		CCEDRM
CC(=O)Nc1c(C)[n-]n(Cc2ccc(C#N)cc2)c1=O	ZINC000601944490	362431814	/nfs/dbraw/zinc/43/18/14/362431814.db2.gz	HROVAHBZLMUTMZ-CYBMUJFWSA-N	-1	0	270.292	0.781	20	30		CCEDRM
CC[C@H](C)N(C)C(=O)CCn1cc(C#N)c(=O)[n-]c1=O	ZINC000602089512	362480568	/nfs/dbraw/zinc/48/05/68/362480568.db2.gz	UKWZWSCRYWTZRA-VIFPVBQESA-N	-1	0	278.312	0.468	20	30		CCEDRM
CC[C@H]1CCCN1C(=O)CCn1cc(C#N)c(=O)[n-]c1=O	ZINC000602093283	362482495	/nfs/dbraw/zinc/48/24/95/362482495.db2.gz	ABUNVHCULGTNQS-NSHDSACASA-N	-1	0	290.323	0.612	20	30		CCEDRM
CC[C@@H]1CCCN1C(=O)Cn1cc(C#N)c(=O)[n-]c1=O	ZINC000602098028	362486843	/nfs/dbraw/zinc/48/68/43/362486843.db2.gz	VMQICKRCXMWFRW-SNVBAGLBSA-N	-1	0	276.296	0.222	20	30		CCEDRM
N#Cc1cn(CC(=O)N2CC[C@@H]3CCC[C@H]32)c(=O)[n-]c1=O	ZINC000602138311	362517150	/nfs/dbraw/zinc/51/71/50/362517150.db2.gz	KGJYBYBHOQRAHS-GXSJLCMTSA-N	-1	0	288.307	0.222	20	30		CCEDRM
Cn1cn[n-]c1=NC(=O)c1ccn(-c2cccc(C#N)c2)n1	ZINC000337018972	213835209	/nfs/dbraw/zinc/83/52/09/213835209.db2.gz	UNCBERFZOXSGEV-UHFFFAOYSA-N	-1	0	293.290	0.547	20	30		CCEDRM
CC(C)(CCNS(=O)(=O)c1cccnc1C#N)C(=O)[O-]	ZINC000312842268	535040472	/nfs/dbraw/zinc/04/04/72/535040472.db2.gz	VVFRAOZYSCVALG-UHFFFAOYSA-N	-1	0	297.336	0.732	20	30		CCEDRM
C[C@H]1COCC[C@H]1NC(=O)N=c1[n-]n(C)cc1C#N	ZINC000617891604	365818719	/nfs/dbraw/zinc/81/87/19/365818719.db2.gz	UEXIVXKYBHCRTM-WCBMZHEXSA-N	-1	0	263.301	0.260	20	30		CCEDRM
Cc1noc([C@@H](C)[N-]S(=O)(=O)c2ccc(C#N)o2)n1	ZINC000344410243	137193214	/nfs/dbraw/zinc/19/32/14/137193214.db2.gz	PAGTVUGRPYNPMF-ZCFIWIBFSA-N	-1	0	282.281	0.882	20	30		CCEDRM
N#Cc1ccc(S(=O)(=O)N2CCC[C@H]2C(=O)[O-])cc1	ZINC000013027831	348024538	/nfs/dbraw/zinc/02/45/38/348024538.db2.gz	CJOZSXOBHRRZLD-NSHDSACASA-N	-1	0	280.305	0.796	20	30		CCEDRM
C=CCNS(=O)(=O)c1ccc(CC(=O)[O-])s1	ZINC000020011293	348075771	/nfs/dbraw/zinc/07/57/71/348075771.db2.gz	XJXBTVRDYPJRJL-UHFFFAOYSA-N	-1	0	261.324	0.840	20	30		CCEDRM
N#Cc1ccc(S(=O)(=O)[N-]CC[C@@H](O)C(F)(F)F)o1	ZINC000344561369	137201748	/nfs/dbraw/zinc/20/17/48/137201748.db2.gz	OKBOEPZTDMCKMG-SSDOTTSWSA-N	-1	0	298.242	0.743	20	30		CCEDRM
CCN(CC(=O)[O-])S(=O)(=O)Cc1ccc(C#N)cc1	ZINC000038017200	348224048	/nfs/dbraw/zinc/22/40/48/348224048.db2.gz	NACPBEFUDHNYSV-UHFFFAOYSA-N	-1	0	282.321	0.795	20	30		CCEDRM
C[C@H](CC(=O)[O-])NS(=O)(=O)Cc1ccc(C#N)cc1	ZINC000037414832	348187563	/nfs/dbraw/zinc/18/75/63/348187563.db2.gz	RSRIUGBLEKSTNW-SECBINFHSA-N	-1	0	282.321	0.841	20	30		CCEDRM
C[C@H](C#N)CN(C)S(=O)(=O)N1CCC(C(=O)[O-])CC1	ZINC000037838577	348212623	/nfs/dbraw/zinc/21/26/23/348212623.db2.gz	HKXRMDUHHXVUFD-SECBINFHSA-N	-1	0	289.357	0.119	20	30		CCEDRM
CC(=O)N[C@@H](C)C(=O)N=c1[n-]n(C(C)C)cc1C#N	ZINC000345178599	137238216	/nfs/dbraw/zinc/23/82/16/137238216.db2.gz	FMMXWIKASXLSHN-QMMMGPOBSA-N	-1	0	263.301	0.221	20	30		CCEDRM
Cn1cc(C#N)c(=NC(=O)N[C@H]2CC23CCOCC3)[n-]1	ZINC000602879927	362860532	/nfs/dbraw/zinc/86/05/32/362860532.db2.gz	HMXVZRGXBDGBDH-JTQLQIEISA-N	-1	0	275.312	0.404	20	30		CCEDRM
COC1CCC(NC(=O)N=c2[n-]n(C)cc2C#N)CC1	ZINC000602880241	362860570	/nfs/dbraw/zinc/86/05/70/362860570.db2.gz	JWNSKLFLLQBDKI-UHFFFAOYSA-N	-1	0	277.328	0.793	20	30		CCEDRM
Cc1ncsc1CCNC(=O)N=c1[n-]n(C)cc1C#N	ZINC000602880259	362860674	/nfs/dbraw/zinc/86/06/74/362860674.db2.gz	KDMDEVJEFNLJQX-UHFFFAOYSA-N	-1	0	290.352	0.843	20	30		CCEDRM
C[C@]1(CCC(=O)Nc2nc(C#N)c(C#N)[n-]2)CCC(=O)N1	ZINC000345842960	137255120	/nfs/dbraw/zinc/25/51/20/137255120.db2.gz	WPOCYIGQCPXODY-ZDUSSCGKSA-N	-1	0	286.295	0.540	20	30		CCEDRM
N#Cc1cc2c(nc1N1CCO[C@H](C(=O)[O-])C1)CCC2	ZINC000043703163	348313309	/nfs/dbraw/zinc/31/33/09/348313309.db2.gz	HIJBAPQUHDMUEZ-LBPRGKRZSA-N	-1	0	273.292	0.732	20	30		CCEDRM
N#Cc1ncn(CCNC(=O)N=c2ccc(C3CC3)n[n-]2)n1	ZINC000349691983	137399854	/nfs/dbraw/zinc/39/98/54/137399854.db2.gz	IQPRGHPASNKNER-UHFFFAOYSA-N	-1	0	298.310	0.061	20	30		CCEDRM
C[C@H](CNc1ncc([N+](=O)[O-])cc1C#N)C(=O)[O-]	ZINC000054334418	348551447	/nfs/dbraw/zinc/55/14/47/348551447.db2.gz	UKUDBMJPRQGTCS-ZCFIWIBFSA-N	-1	0	250.214	0.994	20	30		CCEDRM
N#Cc1ccc(CS(=O)(=O)c2n[nH]c(=O)[n-]2)cc1F	ZINC000350178044	137413396	/nfs/dbraw/zinc/41/33/96/137413396.db2.gz	WERVXZKPLBJKLQ-UHFFFAOYSA-N	-1	0	282.256	0.495	20	30		CCEDRM
CS(=O)(=O)[N-]C(=O)c1cccc2c1OCCO2	ZINC000065643498	348724669	/nfs/dbraw/zinc/72/46/69/348724669.db2.gz	LBIBRRGHHHDDBV-UHFFFAOYSA-N	-1	0	257.267	0.722	20	30		CCEDRM
CCc1nnc(NCc2nnn[n-]2)c(C#N)c1CC	ZINC000124085289	350088989	/nfs/dbraw/zinc/08/89/89/350088989.db2.gz	MWHVEZFGRSZHQQ-UHFFFAOYSA-N	-1	0	258.289	0.598	20	30		CCEDRM
C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1Cl)C(=O)[O-]	ZINC000126028696	350135638	/nfs/dbraw/zinc/13/56/38/350135638.db2.gz	OCLBIJQRLIXTIC-ZCFIWIBFSA-N	-1	0	288.712	0.963	20	30		CCEDRM
N#Cc1cccnc1/C=C\c1cn(CC(=O)[O-])nn1	ZINC000352020504	137465663	/nfs/dbraw/zinc/46/56/63/137465663.db2.gz	ISKPHZISQUCQIS-ARJAWSKDSA-N	-1	0	255.237	0.800	20	30		CCEDRM
C=CCC(CC=C)C(=O)Nc1n[n-]c(S(C)(=O)=O)n1	ZINC000161337799	350718649	/nfs/dbraw/zinc/71/86/49/350718649.db2.gz	FSHNTXYRRAOLAO-UHFFFAOYSA-N	-1	0	284.341	0.915	20	30		CCEDRM
C[C@H](NS(=O)(=O)c1cccc(Cl)c1C#N)C(N)=O	ZINC000178501382	351233760	/nfs/dbraw/zinc/23/37/60/351233760.db2.gz	LEBOBDOQJMLARW-LURJTMIESA-N	-1	0	287.728	0.364	20	30		CCEDRM
C[C@H](CNS(=O)(=O)c1ccc(C#N)c(F)c1)C(=O)[O-]	ZINC000291950213	198115533	/nfs/dbraw/zinc/11/55/33/198115533.db2.gz	ZSOPFGBYKCRVAH-SSDOTTSWSA-N	-1	0	286.284	0.696	20	30		CCEDRM
C=CCSCCNC(=O)N1CCOC[C@H]1C(=O)[O-]	ZINC000227387708	352049338	/nfs/dbraw/zinc/04/93/38/352049338.db2.gz	ANTJLISQEYEBQV-VIFPVBQESA-N	-1	0	274.342	0.401	20	30		CCEDRM
C[C@@H](C(=O)N=c1ccc(C2CC2)n[n-]1)n1cnc(C#N)n1	ZINC000542138794	290946738	/nfs/dbraw/zinc/94/67/38/290946738.db2.gz	MAJAWMQIQPREGT-QMMMGPOBSA-N	-1	0	283.295	0.439	20	30		CCEDRM
Cc1cc(C#N)ccc1S(=O)(=O)NCCC(=O)[O-]	ZINC000230275589	352110484	/nfs/dbraw/zinc/11/04/84/352110484.db2.gz	SWFYWQOQGNRWCD-UHFFFAOYSA-N	-1	0	268.294	0.620	20	30		CCEDRM
C=CCSCCNC(=O)N[C@@H](COC)C(=O)[O-]	ZINC000231957250	352139105	/nfs/dbraw/zinc/13/91/05/352139105.db2.gz	DVRCHJOYAKFGFT-QMMMGPOBSA-N	-1	0	262.331	0.304	20	30		CCEDRM
C=CCSCCNC(=O)N[C@H](COC)C(=O)[O-]	ZINC000231957253	352139213	/nfs/dbraw/zinc/13/92/13/352139213.db2.gz	DVRCHJOYAKFGFT-MRVPVSSYSA-N	-1	0	262.331	0.304	20	30		CCEDRM
CC#CC[C@@H](NS(=O)(=O)C(CC)CC)C(=O)[O-]	ZINC000274960505	353176113	/nfs/dbraw/zinc/17/61/13/353176113.db2.gz	HNIHTZXFIFGLSW-SNVBAGLBSA-N	-1	0	261.343	0.961	20	30		CCEDRM
C=CCCS(=O)(=O)N[C@@H](CCC(=O)OCC)C(=O)[O-]	ZINC000278198372	353286815	/nfs/dbraw/zinc/28/68/15/353286815.db2.gz	RXUSQSOKHASKDO-VIFPVBQESA-N	-1	0	293.341	0.278	20	30		CCEDRM
C#C[C@@H](C)NC(=O)[C@@H]([N-]C(=O)C(F)(F)F)C(C)C	ZINC000279641812	353306922	/nfs/dbraw/zinc/30/69/22/353306922.db2.gz	CPDCFBGKEZNRMJ-SFYZADRCSA-N	-1	0	264.247	0.827	20	30		CCEDRM
CC[C@](C)(CNS(=O)(=O)c1cncc(C#N)c1)C(=O)[O-]	ZINC000290723303	353745466	/nfs/dbraw/zinc/74/54/66/353745466.db2.gz	VHQJIWJTOQUGTQ-GFCCVEGCSA-N	-1	0	297.336	0.732	20	30		CCEDRM
N#Cc1cc(N2CCC[C@@H](c3n[nH]c(=O)[n-]3)C2)ncn1	ZINC000557688882	291042806	/nfs/dbraw/zinc/04/28/06/291042806.db2.gz	YVCPVPYSOZLDRT-MRVPVSSYSA-N	-1	0	271.284	0.556	20	30		CCEDRM
Cc1noc(C[N-]S(=O)(=O)c2cnc(C)c(C#N)c2)n1	ZINC000336843139	355213525	/nfs/dbraw/zinc/21/35/25/355213525.db2.gz	WAMPUUMVWFSLNH-UHFFFAOYSA-N	-1	0	293.308	0.432	20	30		CCEDRM
N#Cc1ccc(OCC(=O)NC2(c3nnn[n-]3)CC2)cc1	ZINC000348298059	355907984	/nfs/dbraw/zinc/90/79/84/355907984.db2.gz	NTRBNWHBVUWNOM-UHFFFAOYSA-N	-1	0	284.279	0.256	20	30		CCEDRM
Cc1cc(C(=O)NCC2(C#N)CC2)[nH]c2nc(=O)[n-]c(=O)c1-2	ZINC000619546292	366278996	/nfs/dbraw/zinc/27/89/96/366278996.db2.gz	UKKBFDUWYMYEDM-UHFFFAOYSA-N	-1	0	299.290	0.778	20	30		CCEDRM
CC(=O)N1CCC[C@@H](C(=O)Nc2nc(C#N)c(C#N)[n-]2)C1	ZINC000355021130	356551987	/nfs/dbraw/zinc/55/19/87/356551987.db2.gz	SBZJLYIQWNTDAQ-SECBINFHSA-N	-1	0	286.295	0.350	20	30		CCEDRM
Cc1cc(C#N)ccc1C(=O)NCCc1n[n-]c(=N)o1	ZINC000355107100	356579135	/nfs/dbraw/zinc/57/91/35/356579135.db2.gz	KPVAEBOLFYVQGQ-UHFFFAOYSA-N	-1	0	271.280	0.635	20	30		CCEDRM
CCN(C[C@@H]1CCOC1)C(=O)N=c1[n-]n(C)cc1C#N	ZINC000610563032	363577708	/nfs/dbraw/zinc/57/77/08/363577708.db2.gz	PHILAGHKYPXIHI-JTQLQIEISA-N	-1	0	277.328	0.604	20	30		CCEDRM
Cn1cc(C#N)c(=NC(=O)NCCCn2cccn2)[n-]1	ZINC000610528025	363572890	/nfs/dbraw/zinc/57/28/90/363572890.db2.gz	HOIVAEMNZUCPDC-UHFFFAOYSA-N	-1	0	273.300	0.122	20	30		CCEDRM
CCC(CC)[C@@H](O)CNC(=O)N=c1[n-]n(C)cc1C#N	ZINC000610564730	363578865	/nfs/dbraw/zinc/57/88/65/363578865.db2.gz	LGUXFJBDLCEDMK-NSHDSACASA-N	-1	0	279.344	0.632	20	30		CCEDRM
Cn1cc(C#N)c(=NC(=O)NC[C@H]2CCC[C@@H](O)C2)[n-]1	ZINC000610564302	363579245	/nfs/dbraw/zinc/57/92/45/363579245.db2.gz	HEGWPQDNLSPYHJ-GXSJLCMTSA-N	-1	0	277.328	0.386	20	30		CCEDRM
CCN1CCO[C@@H](C(=O)N=c2[nH][n-]c(C3CC3)c2C#N)C1	ZINC000377137149	357542236	/nfs/dbraw/zinc/54/22/36/357542236.db2.gz	XYDMDNOZLFXCEG-LLVKDONJSA-N	-1	0	289.339	0.240	20	30		CCEDRM
COC[C@H]1CCCN1C(=O)N=c1[n-]n(C)cc1C#N	ZINC000610634650	363589642	/nfs/dbraw/zinc/58/96/42/363589642.db2.gz	XPKQZXAXURWFKH-SNVBAGLBSA-N	-1	0	263.301	0.356	20	30		CCEDRM
CO[C@H]1C[C@H](NC(=O)N=c2[n-]n(C)cc2C#N)C1(C)C	ZINC000610652609	363590034	/nfs/dbraw/zinc/59/00/34/363590034.db2.gz	ZHPPRIMRBDUTKU-UWVGGRQHSA-N	-1	0	277.328	0.649	20	30		CCEDRM
C=CCOCCCC(=O)N1CCC[C@@H]1c1nc(=N)n(C)[nH]1	ZINC000555535869	358552968	/nfs/dbraw/zinc/55/29/68/358552968.db2.gz	ZNBQXNPLNGSVBK-LLVKDONJSA-N	-1	0	293.371	0.874	20	30		CCEDRM
C=CCOC[C@H](NS(=O)(=O)CCC1CCC1)C(=O)[O-]	ZINC000563079151	358556087	/nfs/dbraw/zinc/55/60/87/358556087.db2.gz	JBEFQRWCOGUOTL-NSHDSACASA-N	-1	0	291.369	0.752	20	30		CCEDRM
CCOC(=O)c1cnn(CCCC(=O)[O-])c1C#N	ZINC000569486545	358768938	/nfs/dbraw/zinc/76/89/38/358768938.db2.gz	ZRKKZDWWTCEYDJ-UHFFFAOYSA-N	-1	0	251.242	0.796	20	30		CCEDRM
Cc1[nH]c(=O)c(C#N)c(C)c1CCC(=O)NCCC(=O)[O-]	ZINC000573370185	358961361	/nfs/dbraw/zinc/96/13/61/358961361.db2.gz	XSISYXJEIHRQIC-UHFFFAOYSA-N	-1	0	291.307	0.799	20	30		CCEDRM
C=CCSCCNC(=O)c1c[n-]n2c1nccc2=O	ZINC000585681824	359263399	/nfs/dbraw/zinc/26/33/99/359263399.db2.gz	HKWCXDRGTONCDP-UHFFFAOYSA-N	-1	0	278.337	0.672	20	30		CCEDRM
Cn1cc(C#N)c(=NC(=O)NC[C@H](O)Cc2ccccc2)[n-]1	ZINC000588259846	359319465	/nfs/dbraw/zinc/31/94/65/359319465.db2.gz	NRRZFQWLFLCLHE-CYBMUJFWSA-N	-1	0	299.334	0.439	20	30		CCEDRM
COC(=O)C(C)(C)CCNC(=O)N=c1[n-]n(C)cc1C#N	ZINC000588258763	359319629	/nfs/dbraw/zinc/31/96/29/359319629.db2.gz	HXAJTJIHVBUJKX-UHFFFAOYSA-N	-1	0	293.327	0.424	20	30		CCEDRM
Cc1[n-][nH]c(=NC(=O)c2cnc3ccccn32)c1C#N	ZINC000588715518	359332930	/nfs/dbraw/zinc/33/29/30/359332930.db2.gz	OEVWCMCYBIYEFI-UHFFFAOYSA-N	-1	0	266.264	0.912	20	30		CCEDRM
CC(C)[C@H](O)C(C)(C)CNC(=O)N=c1[n-]n(C)cc1C#N	ZINC000611097961	363659368	/nfs/dbraw/zinc/65/93/68/363659368.db2.gz	PMDCLMQPRCKTRK-NSHDSACASA-N	-1	0	293.371	0.878	20	30		CCEDRM
CCN(C[C@H](C)OC)C(=O)N=c1[n-]n(C)cc1C#N	ZINC000589761816	359400691	/nfs/dbraw/zinc/40/06/91/359400691.db2.gz	HHMTXYRPTOLJJY-VIFPVBQESA-N	-1	0	265.317	0.602	20	30		CCEDRM
CO[C@@H]1C[C@H](NC(=O)N=c2[n-]n(C)cc2C#N)C12CCC2	ZINC000590957444	359542108	/nfs/dbraw/zinc/54/21/08/359542108.db2.gz	JCPGZDMQAXJGPU-WDEREUQCSA-N	-1	0	289.339	0.793	20	30		CCEDRM
C[C@@H]1CC[C@@H](CNC(=O)N=c2[n-]n(C)cc2C#N)O1	ZINC000590822324	359527421	/nfs/dbraw/zinc/52/74/21/359527421.db2.gz	NRHVVUZTHXKBNQ-SCZZXKLOSA-N	-1	0	263.301	0.403	20	30		CCEDRM
Cn1cc(C#N)c(=NC(=O)N[C@@H]2CCCC(F)(F)[C@H]2O)[n-]1	ZINC000591338182	359579841	/nfs/dbraw/zinc/57/98/41/359579841.db2.gz	SQZWKAFBICPESL-BDAKNGLRSA-N	-1	0	299.281	0.384	20	30		CCEDRM
Cc1c(C#N)c(=NC(=O)[C@@H]2CCOC[C@H]2C)[n-]n1C	ZINC000592651832	359909123	/nfs/dbraw/zinc/90/91/23/359909123.db2.gz	VUGBDHOJWRQWAY-PSASIEDQSA-N	-1	0	262.313	0.633	20	30		CCEDRM
C=CCCS(=O)(=O)[N-]c1ccn(CC(=O)OCC)n1	ZINC000594461906	360320778	/nfs/dbraw/zinc/32/07/78/360320778.db2.gz	HTRZMOFXAGEWGK-UHFFFAOYSA-N	-1	0	287.341	0.764	20	30		CCEDRM
CO[C@@H](CS(=O)(=O)N[C@H](C#N)C(C)C)[C@@H]1CCOC1	ZINC000594723934	360368531	/nfs/dbraw/zinc/36/85/31/360368531.db2.gz	REISTGDAPZDRQH-UTUOFQBUSA-N	-1	0	290.385	0.505	20	30		CCEDRM
CO[C@](C)(C(=O)[O-])C(=O)N1Cc2cccc(C#N)c2C1	ZINC000594749128	360375740	/nfs/dbraw/zinc/37/57/40/360375740.db2.gz	PTOZYTMJQVZXSC-AWEZNQCLSA-N	-1	0	274.276	0.890	20	30		CCEDRM
CC12CC(C(=O)[O-])(C1)N(S(=O)(=O)CCCCC#N)C2	ZINC000594671973	360358789	/nfs/dbraw/zinc/35/87/89/360358789.db2.gz	GMPSXXXRUSPEHJ-UHFFFAOYSA-N	-1	0	286.353	0.949	20	30		CCEDRM
CC(C)(CC#N)CS(=O)(=O)N1CCOC[C@H]1C(=O)[O-]	ZINC000594682726	360359209	/nfs/dbraw/zinc/35/92/09/360359209.db2.gz	CQDQRUJHRQURRP-VIFPVBQESA-N	-1	0	290.341	0.041	20	30		CCEDRM
Cc1nc(N[C@@H]2C[C@H](C(=O)[O-])C[C@@H]2O)ccc1C#N	ZINC000595978144	360753798	/nfs/dbraw/zinc/75/37/98/360753798.db2.gz	KWPVWWYWLPMDQB-AXFHLTTASA-N	-1	0	261.281	0.320	20	30		CCEDRM
COc1cc(O[C@H]2CCN(CC(=O)[O-])C2=O)ccc1C#N	ZINC000596010433	360774219	/nfs/dbraw/zinc/77/42/19/360774219.db2.gz	AJKWWEMVJHZLPK-NSHDSACASA-N	-1	0	290.275	0.631	20	30		CCEDRM
CC#CC[C@@H](NS(=O)(=O)c1cccc(F)c1)C(=O)[O-]	ZINC000275065126	192898653	/nfs/dbraw/zinc/89/86/53/192898653.db2.gz	VJAWYHOEJQYKMF-LLVKDONJSA-N	-1	0	285.296	0.971	20	30		CCEDRM
Cc1[n-][nH]c(=NC(=O)[C@@H](C)c2cnn(C)c2)c1C#N	ZINC000563991084	291262842	/nfs/dbraw/zinc/26/28/42/291262842.db2.gz	JYAIABQVVWCGMG-ZETCQYMHSA-N	-1	0	258.285	0.487	20	30		CCEDRM
C=CCn1cc(C(=O)N2CCSC[C@H](C(=O)[O-])C2)nn1	ZINC000621607179	366807252	/nfs/dbraw/zinc/80/72/52/366807252.db2.gz	NTDNETGJPVDJDM-SECBINFHSA-N	-1	0	296.352	0.354	20	30		CCEDRM
C=C[C@H](C)[N-]S(=O)(=O)c1cc(C(=O)OC)no1	ZINC000599258896	361623351	/nfs/dbraw/zinc/62/33/51/361623351.db2.gz	RUGDHEXUHZXTPE-LURJTMIESA-N	-1	0	260.271	0.314	20	30		CCEDRM
CN=c1[n-]nc(CC(=O)N[C@H](C#N)CC(C)C)s1	ZINC000612736702	364002824	/nfs/dbraw/zinc/00/28/24/364002824.db2.gz	MEHHRQFRXPTXCB-QMMMGPOBSA-N	-1	0	267.358	0.599	20	30		CCEDRM
Cn1cc(C#N)c(=NC(=O)N2CCC[C@@]2(C)CCCO)[n-]1	ZINC000612573633	363961781	/nfs/dbraw/zinc/96/17/81/363961781.db2.gz	XDTYRAOQIDAASD-AWEZNQCLSA-N	-1	0	291.355	0.873	20	30		CCEDRM
C=C(C)CN(CC)C(=O)C(=O)NC[C@@H](C)C(=O)[O-]	ZINC000656003508	412730901	/nfs/dbraw/zinc/73/09/01/412730901.db2.gz	VHEOHJBXKKFKGU-SECBINFHSA-N	-1	0	256.302	0.248	20	30		CCEDRM
C=CCCCCNC(=O)C(=O)NC[C@H](C(=O)[O-])C(C)C	ZINC000656010535	412732358	/nfs/dbraw/zinc/73/23/58/412732358.db2.gz	CWDZARNLCMWSMH-NSHDSACASA-N	-1	0	284.356	0.932	20	30		CCEDRM
N#Cc1c[n-]c(=O)n(CC(=O)CC[C@H]2CCCCO2)c1=O	ZINC000564962602	291327147	/nfs/dbraw/zinc/32/71/47/291327147.db2.gz	GKPVVCJODJBMOS-GFCCVEGCSA-N	-1	0	291.307	0.327	20	30		CCEDRM
C[C@@H]1CN(C(=O)N=c2[n-]n(C)cc2C#N)[C@@H](C)[C@H](C)O1	ZINC000615025478	364822391	/nfs/dbraw/zinc/82/23/91/364822391.db2.gz	RGUJDGYGFSODBV-UTLUCORTSA-N	-1	0	277.328	0.743	20	30		CCEDRM
CCOC(=O)CCN(C)C(=O)N=c1[n-]n(C)cc1C#N	ZINC000615842438	365104238	/nfs/dbraw/zinc/10/42/38/365104238.db2.gz	YZVUHIRXWBFSHT-UHFFFAOYSA-N	-1	0	279.300	0.131	20	30		CCEDRM
C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)N(C)CC(=O)[O-]	ZINC000621834781	366883502	/nfs/dbraw/zinc/88/35/02/366883502.db2.gz	WNFLSYABENZADO-KOLCDFICSA-N	-1	0	256.302	0.694	20	30		CCEDRM
C=CC[C@H]1CCN(C(=O)C(=O)NC[C@H](C)C(=O)[O-])C1	ZINC000627279412	368942177	/nfs/dbraw/zinc/94/21/77/368942177.db2.gz	MPGDIVOMORNEIW-UWVGGRQHSA-N	-1	0	268.313	0.248	20	30		CCEDRM
C=CC[C@@H]1CCN(C(=O)C(=O)N2CCC[C@@H](C(=O)[O-])C2)C1	ZINC000629779912	369773712	/nfs/dbraw/zinc/77/37/12/369773712.db2.gz	LDYOJLDUTFWJIN-VXGBXAGGSA-N	-1	0	294.351	0.734	20	30		CCEDRM
C=CCOC[C@@H](NC(=O)C1CCOCC1)C(=O)[O-]	ZINC000630185802	369996026	/nfs/dbraw/zinc/99/60/26/369996026.db2.gz	HCQYFACZHFYZDB-SNVBAGLBSA-N	-1	0	257.286	0.185	20	30		CCEDRM
C=CCOCCCC(=O)N1CC[C@](OC)(C(=O)[O-])C1	ZINC000630252259	370023202	/nfs/dbraw/zinc/02/32/02/370023202.db2.gz	NBALPGGEHODMCW-CYBMUJFWSA-N	-1	0	271.313	0.671	20	30		CCEDRM
C=C(C)C[C@@H](NC(=O)CCn1cccn1)C(=O)[O-]	ZINC000630322727	370046899	/nfs/dbraw/zinc/04/68/99/370046899.db2.gz	VMILDAVKPCGIRH-SNVBAGLBSA-N	-1	0	251.286	0.809	20	30		CCEDRM
C=C(C)C[C@@H](NC(=O)c1ccn(CCOC)n1)C(=O)[O-]	ZINC000630322865	370047040	/nfs/dbraw/zinc/04/70/40/370047040.db2.gz	XHPDEWBSVNHYPN-LLVKDONJSA-N	-1	0	281.312	0.679	20	30		CCEDRM
C=C(C)C[C@@H](NC(=O)CCCC(=O)N(C)C)C(=O)[O-]	ZINC000630324556	370047850	/nfs/dbraw/zinc/04/78/50/370047850.db2.gz	FTVRINTYTICJTG-SNVBAGLBSA-N	-1	0	270.329	0.781	20	30		CCEDRM
C=C(C)C[C@H](NC(=O)c1ccn(C)c(=O)c1)C(=O)[O-]	ZINC000630317493	370044624	/nfs/dbraw/zinc/04/46/24/370044624.db2.gz	QXFFANONYRRFSS-JTQLQIEISA-N	-1	0	264.281	0.535	20	30		CCEDRM
C=CCC[C@H](NC(=O)c1cnc2n1CCC2)C(=O)[O-]	ZINC000630183266	369995292	/nfs/dbraw/zinc/99/52/92/369995292.db2.gz	VNOWWOBUNAHATG-VIFPVBQESA-N	-1	0	263.297	0.979	20	30		CCEDRM
C=C(C)C[C@@H](NS(=O)(=O)N(C)[C@@H](C)C1CC1)C(=O)[O-]	ZINC000630437873	370115812	/nfs/dbraw/zinc/11/58/12/370115812.db2.gz	HUROHKRIBPGBIU-GXSJLCMTSA-N	-1	0	290.385	0.971	20	30		CCEDRM
C=C(C)C[C@H](NC(=O)NCC[C@H](COC)OC)C(=O)[O-]	ZINC000630481549	370130021	/nfs/dbraw/zinc/13/00/21/370130021.db2.gz	MPFARIMXWWWWIM-MNOVXSKESA-N	-1	0	288.344	0.757	20	30		CCEDRM
C=CCOC[C@H](NC(=O)NCC(C)(C)F)C(=O)[O-]	ZINC000630497062	370136474	/nfs/dbraw/zinc/13/64/74/370136474.db2.gz	ITLOWSXEOOMLPA-QMMMGPOBSA-N	-1	0	262.281	0.690	20	30		CCEDRM
CC[C@@H](C(=O)[O-])N(C)S(=O)(=O)N(C)C[C@H](C)C#N	ZINC000574404750	335017101	/nfs/dbraw/zinc/01/71/01/335017101.db2.gz	SGYNQSSPCYVWCT-BDAKNGLRSA-N	-1	0	277.346	0.118	20	30		CCEDRM
C=C[C@@H]1OCC[C@H]1CNC(=O)C[C@@]1(C(=O)[O-])CCOC1	ZINC000656483926	412810940	/nfs/dbraw/zinc/81/09/40/412810940.db2.gz	HKXSQRMICKUOBJ-MJVIPROJSA-N	-1	0	283.324	0.575	20	30		CCEDRM
C=C[C@@H]1OCC[C@H]1CNC(=O)C[C@]1(C(=O)[O-])CCOC1	ZINC000656483925	412811516	/nfs/dbraw/zinc/81/15/16/412811516.db2.gz	HKXSQRMICKUOBJ-COPLHBTASA-N	-1	0	283.324	0.575	20	30		CCEDRM
O=C(N=c1[n-]nc(C(F)F)s1)NCC#CCO	ZINC000639593368	375848560	/nfs/dbraw/zinc/84/85/60/375848560.db2.gz	FDDSTNDGDSSYCJ-UHFFFAOYSA-N	-1	0	262.241	0.015	20	30		CCEDRM
C=C(CC)CNC(=O)N=c1ccc(C(=O)NC)n[n-]1	ZINC000640327542	376322232	/nfs/dbraw/zinc/32/22/32/376322232.db2.gz	OSLCIPJPDXBYIK-UHFFFAOYSA-N	-1	0	263.301	0.346	20	30		CCEDRM
C=CC(C)(C)CCNC(=O)N=c1ccc(C(=O)NC)n[n-]1	ZINC000640328991	376323933	/nfs/dbraw/zinc/32/39/33/376323933.db2.gz	SZYFRMVBAQISFN-UHFFFAOYSA-N	-1	0	291.355	0.982	20	30		CCEDRM
C=CC[C@@H](CO)CNS(=O)(=O)c1ccccc1[O-]	ZINC000656950448	412867958	/nfs/dbraw/zinc/86/79/58/412867958.db2.gz	ADEBSEMLXCMMNR-SNVBAGLBSA-N	-1	0	271.338	0.855	20	30		CCEDRM
C=CCCO[C@H](C)C(=O)[N-]S(=O)(=O)[C@H](C)COC	ZINC000733716253	581519366	/nfs/dbraw/zinc/51/93/66/581519366.db2.gz	PNFMKVYSOAZBCV-NXEZZACHSA-N	-1	0	279.358	0.449	20	30		CCEDRM
CCOC1CC(C(=O)Nc2nc(C#N)c(C#N)[n-]2)C1	ZINC000287552733	196882499	/nfs/dbraw/zinc/88/24/99/196882499.db2.gz	LXFHINSSGLHTAK-UHFFFAOYSA-N	-1	0	259.269	0.907	20	30		CCEDRM
C=CCN(CC=C)C(=O)CN1CCC[C@H]1C(=O)[O-]	ZINC000035301861	388836398	/nfs/dbraw/zinc/83/63/98/388836398.db2.gz	NJMFATOPTHMTKE-NSHDSACASA-N	-1	0	252.314	0.736	20	30		CCEDRM
C#Cc1cccc(NC(=O)C(=O)[N-]OCCCOC)c1	ZINC000288263092	388859884	/nfs/dbraw/zinc/85/98/84/388859884.db2.gz	PEOWGFGTUHIAGX-UHFFFAOYSA-N	-1	0	276.292	0.691	20	30		CCEDRM
C#CCN(CC)C(=O)/N=c1/ccnc2n(C)[nH]cc1-2	ZINC000287033964	388847800	/nfs/dbraw/zinc/84/78/00/388847800.db2.gz	CVJFUSAUSCHPJP-WJDWOHSUSA-N	-1	0	257.297	0.829	20	30		CCEDRM
CSc1nn(CC(=O)Nc2cccc(C#N)c2)c(=O)[n-]1	ZINC000188158050	388916167	/nfs/dbraw/zinc/91/61/67/388916167.db2.gz	AWAPUSMUKVBQMS-UHFFFAOYSA-N	-1	0	289.320	0.804	20	30		CCEDRM
C#CCO[N-]C(=O)[C@H]1CN(Cc2ccccc2)CCO1	ZINC000291038795	388916769	/nfs/dbraw/zinc/91/67/69/388916769.db2.gz	GCCNZIKIUGRMNK-CQSZACIVSA-N	-1	0	274.320	0.568	20	30		CCEDRM
C#CCO[N-]C(=O)CNC(=O)N1CCc2ccccc2C1	ZINC000291131839	388917427	/nfs/dbraw/zinc/91/74/27/388917427.db2.gz	WNEGCXVFNANUOS-UHFFFAOYSA-N	-1	0	287.319	0.435	20	30		CCEDRM
C#CCO[N-]C(=O)CNC(=O)CC1CCCCC1	ZINC000291296547	388919946	/nfs/dbraw/zinc/91/99/46/388919946.db2.gz	QEFHBZSCJSXVMW-UHFFFAOYSA-N	-1	0	252.314	0.754	20	30		CCEDRM
C#CCO[N-]C(=O)[C@@H]1C[C@@H](c2ccccc2)OC1=O	ZINC000291334919	388921251	/nfs/dbraw/zinc/92/12/51/388921251.db2.gz	VCTSNNCQUPHOKX-RYUDHWBXSA-N	-1	0	259.261	0.972	20	30		CCEDRM
C=CCCCS(=O)(=O)N[C@H](CC#CC)C(=O)[O-]	ZINC000291926430	388943360	/nfs/dbraw/zinc/94/33/60/388943360.db2.gz	VRLDNKLXLYPTDW-SNVBAGLBSA-N	-1	0	259.327	0.739	20	30		CCEDRM
C=CC[C@@H](CO)CNC(=O)N=c1nc2ccccn2[n-]1	ZINC000354218098	389017267	/nfs/dbraw/zinc/01/72/67/389017267.db2.gz	AFTKUCNVRDLZRR-SNVBAGLBSA-N	-1	0	275.312	0.457	20	30		CCEDRM
C=CCOCC(=O)N=c1nc([C@H](C)OC)[n-]s1	ZINC000338030815	389072645	/nfs/dbraw/zinc/07/26/45/389072645.db2.gz	QDEJVRDKQAYKQY-ZETCQYMHSA-N	-1	0	257.315	0.809	20	30		CCEDRM
C=CCCOCCCCC(=O)NCc1n[nH]c(=O)[n-]1	ZINC000342967972	389255791	/nfs/dbraw/zinc/25/57/91/389255791.db2.gz	XIZRKNFGVBUOBO-UHFFFAOYSA-N	-1	0	268.317	0.890	20	30		CCEDRM
O=C(N=c1cn[n-]s1)N1C[C@@H]2CC[C@@H](O)[C@@H]2C1	ZINC000330252241	389219689	/nfs/dbraw/zinc/21/96/89/389219689.db2.gz	IFWKJNJKTVPSAX-XLPZGREQSA-N	-1	0	254.315	0.786	20	30		CCEDRM
CCN(C[C@@H](C)C#N)S(=O)(=O)NCc1ncc(C)o1	ZINC000330387936	389223603	/nfs/dbraw/zinc/22/36/03/389223603.db2.gz	MZHYITJPCMARNM-VIFPVBQESA-N	-1	0	286.357	0.799	20	30		CCEDRM
CN(CCCC(=O)[O-])S(=O)(=O)CC1(C#N)CC1	ZINC000362138285	389230626	/nfs/dbraw/zinc/23/06/26/389230626.db2.gz	LWMFRIVZXATLCY-UHFFFAOYSA-N	-1	0	260.315	0.417	20	30		CCEDRM
Cc1cccc(S(=O)(=O)N(C)[C@@H](C)C(=O)[O-])c1C#N	ZINC000261773633	389276416	/nfs/dbraw/zinc/27/64/16/389276416.db2.gz	ZKPDCGYIIASPEY-VIFPVBQESA-N	-1	0	282.321	0.960	20	30		CCEDRM
C[C@H](CCS(C)(=O)=O)NC(=O)N=c1[n-]ncs1	ZINC000331035924	389291340	/nfs/dbraw/zinc/29/13/40/389291340.db2.gz	ZUYNNUMLAKIHHE-ZCFIWIBFSA-N	-1	0	278.359	0.109	20	30		CCEDRM
C=CC[C@H](NS(=O)(=O)c1ccc2c(c1)CCO2)C(=O)[O-]	ZINC000159615355	389370947	/nfs/dbraw/zinc/37/09/47/389370947.db2.gz	LBXBIIBSWAXJCF-NSHDSACASA-N	-1	0	297.332	0.929	20	30		CCEDRM
C[C@@H](CN(C)S(=O)(=O)c1ccc(C#N)nc1)C(=O)[O-]	ZINC000159690866	389371792	/nfs/dbraw/zinc/37/17/92/389371792.db2.gz	QQGPGRSIKVQYLS-QMMMGPOBSA-N	-1	0	283.309	0.294	20	30		CCEDRM
CCOC(=O)c1[nH]c(=O)n(-c2ccc(C#N)cc2)c1[O-]	ZINC000349267437	389409473	/nfs/dbraw/zinc/40/94/73/389409473.db2.gz	OSYLUVUHGJKRCS-JTQLQIEISA-N	-1	0	273.248	0.546	20	30		CCEDRM
CNS(=O)(=O)c1cc(C(=O)N[C@@H](C#N)C(C)C)co1	ZINC000270017100	389427253	/nfs/dbraw/zinc/42/72/53/389427253.db2.gz	CLIGZEOGBSSMTF-VIFPVBQESA-N	-1	0	285.325	0.466	20	30		CCEDRM
C=C[C@@H](CO)NS(=O)(=O)c1cncc(Cl)c1	ZINC000349780375	389433613	/nfs/dbraw/zinc/43/36/13/389433613.db2.gz	BSZLATAFLZAVNT-QMMMGPOBSA-N	-1	0	262.718	0.560	20	30		CCEDRM
C=C[C@@H](CO)[N-]S(=O)(=O)c1c(F)cc(C#N)cc1F	ZINC000349803823	389438712	/nfs/dbraw/zinc/43/87/12/389438712.db2.gz	SZMFNABLNDQLNZ-QMMMGPOBSA-N	-1	0	288.275	0.662	20	30		CCEDRM
C=CCCS(=O)(=O)N1CSC[C@H]1C(=O)[O-]	ZINC000274955542	389508468	/nfs/dbraw/zinc/50/84/68/389508468.db2.gz	INAIVIRMYIOIIK-ZETCQYMHSA-N	-1	0	251.329	0.352	20	30		CCEDRM
N#Cc1cccc(S(=O)(=O)[N-]C(=O)[C@@H]2CCCCO2)c1	ZINC000179113672	389638252	/nfs/dbraw/zinc/63/82/52/389638252.db2.gz	BLLIJJZLXIERAY-LBPRGKRZSA-N	-1	0	294.332	0.932	20	30		CCEDRM
C=CCCn1cc(C(=O)N[C@H](CC)C(=O)[O-])nn1	ZINC000425239953	389643260	/nfs/dbraw/zinc/64/32/60/389643260.db2.gz	LHRTYYDEUYDICI-MRVPVSSYSA-N	-1	0	252.274	0.447	20	30		CCEDRM
Cc1[nH]nc([N-]S(=O)(=O)c2ccoc2)c1C#N	ZINC000351393674	389580928	/nfs/dbraw/zinc/58/09/28/389580928.db2.gz	DHTKNBUPPNMHHT-UHFFFAOYSA-N	-1	0	252.255	0.984	20	30		CCEDRM
C=C(CC)CNC(=O)N=c1ncn(CC(=O)OCC)[n-]1	ZINC000425721094	389655668	/nfs/dbraw/zinc/65/56/68/389655668.db2.gz	ZHCGIRJJPGRGBG-UHFFFAOYSA-N	-1	0	281.316	0.351	20	30		CCEDRM
CNC(=O)[C@@H](C#N)Cn1[n-]c(C(F)(F)F)cc1=O	ZINC000181292732	389684198	/nfs/dbraw/zinc/68/41/98/389684198.db2.gz	XTTRKAIQZMRGJO-YFKPBYRVSA-N	-1	0	262.191	0.493	20	30		CCEDRM
C[C@@H](CN(C)C(=O)c1cc(C#N)cn1C)c1nnn[n-]1	ZINC000352483124	389817887	/nfs/dbraw/zinc/81/78/87/389817887.db2.gz	YHZHZXBHTHGCPC-QMMMGPOBSA-N	-1	0	273.300	0.286	20	30		CCEDRM
Cc1cc(C#N)ccc1C(=O)NCCc1nc(=O)o[n-]1	ZINC000447635699	389960383	/nfs/dbraw/zinc/96/03/83/389960383.db2.gz	FYRBSTLHBDZKRE-UHFFFAOYSA-N	-1	0	272.264	0.516	20	30		CCEDRM
Cn1cc(C#N)cc1C(=O)NC(C)(C)c1nnn[n-]1	ZINC000434351346	389930391	/nfs/dbraw/zinc/93/03/91/389930391.db2.gz	BOQDKGMBEKUNMH-UHFFFAOYSA-N	-1	0	259.273	0.075	20	30		CCEDRM
N#Cc1cc(C#N)c(SCc2nnn[n-]2)nc1N	ZINC000435094914	389952225	/nfs/dbraw/zinc/95/22/25/389952225.db2.gz	FAYDFFIHVVLTQP-UHFFFAOYSA-N	-1	0	258.270	0.043	20	30		CCEDRM
CCc1ccc(C(=O)NCC(=O)NCC#N)c(O)c1	ZINC000436711908	389983729	/nfs/dbraw/zinc/98/37/29/389983729.db2.gz	CJSNDWCOYIKMNE-UHFFFAOYSA-N	-1	0	261.281	0.324	20	30		CCEDRM
O=C(NCC#CCO)c1ccc([O-])c([N+](=O)[O-])c1	ZINC000436794772	389984670	/nfs/dbraw/zinc/98/46/70/389984670.db2.gz	XCIMDCGQXIKALW-UHFFFAOYSA-N	-1	0	250.210	0.026	20	30		CCEDRM
CCC(=O)N1CC[C@@H](C(=O)Nc2nc(C#N)c(C#N)[n-]2)C1	ZINC000448455843	389984726	/nfs/dbraw/zinc/98/47/26/389984726.db2.gz	FZEMKVNKUIYTAA-MRVPVSSYSA-N	-1	0	286.295	0.350	20	30		CCEDRM
C=C[C@@H]1CCCCN1C(=O)C(=O)NCCCC(=O)[O-]	ZINC000420589541	390014383	/nfs/dbraw/zinc/01/43/83/390014383.db2.gz	ISYWHOFNDDJXIZ-SNVBAGLBSA-N	-1	0	268.313	0.535	20	30		CCEDRM
CC[C@H](CC#N)NC(=O)C(=O)N=c1ncn(C(C)(C)C)[n-]1	ZINC000439539502	390023945	/nfs/dbraw/zinc/02/39/45/390023945.db2.gz	DCZWIXJWGVDAIC-SECBINFHSA-N	-1	0	292.343	0.202	20	30		CCEDRM
C=CCS(=O)(=O)[N-]C(=O)/C=C/C1(C)CCOCC1	ZINC000493167271	390120209	/nfs/dbraw/zinc/12/02/09/390120209.db2.gz	ZXDHVYAIJLVNSF-SNAWJCMRSA-N	-1	0	273.354	0.991	20	30		CCEDRM
C[C@@H](CC#N)N(C)S(=O)(=O)N1CC[C@@H](C)[C@H]1C(=O)[O-]	ZINC000578991119	390132193	/nfs/dbraw/zinc/13/21/93/390132193.db2.gz	CQFKSRGJIKTDKV-UTLUCORTSA-N	-1	0	289.357	0.260	20	30		CCEDRM
C[C@H](C(=O)[O-])N(C)S(=O)(=O)c1ccc(C#N)cc1F	ZINC000535513451	390144902	/nfs/dbraw/zinc/14/49/02/390144902.db2.gz	GWXYEBRVAPVVMQ-SSDOTTSWSA-N	-1	0	286.284	0.791	20	30		CCEDRM
C=CCn1cc(C(=O)N2CC[C@](C)(C(=O)[O-])C2)nn1	ZINC000647733688	390150092	/nfs/dbraw/zinc/15/00/92/390150092.db2.gz	WWIUBNUXQPQMOP-LBPRGKRZSA-N	-1	0	264.285	0.401	20	30		CCEDRM
C=CCOCCCC(=O)Nc1cnn(CC(=O)[O-])c1	ZINC000647745360	390157920	/nfs/dbraw/zinc/15/79/20/390157920.db2.gz	XTOMLTLUTTVWBX-UHFFFAOYSA-N	-1	0	267.285	0.889	20	30		CCEDRM
C[C@@H](C#N)CN(C)S(=O)(=O)N[C@@H](C)CCC(=O)[O-]	ZINC000580081929	390218745	/nfs/dbraw/zinc/21/87/45/390218745.db2.gz	IYOATYPIUGMQIV-IUCAKERBSA-N	-1	0	277.346	0.166	20	30		CCEDRM
C=C[C@@H]1OCC[C@H]1CNC(=O)c1c[n-]n2c1nccc2=O	ZINC000644785927	390313586	/nfs/dbraw/zinc/31/35/86/390313586.db2.gz	ANAOHHXQGKPYSH-ONGXEEELSA-N	-1	0	288.307	0.344	20	30		CCEDRM
Cc1c(C#N)c(=NC(=O)[C@@H]2CCC(=O)[C@H](C)C2)[n-]n1C	ZINC000648434701	390372437	/nfs/dbraw/zinc/37/24/37/390372437.db2.gz	WVTICKJVESQZDE-PSASIEDQSA-N	-1	0	274.324	0.966	20	30		CCEDRM
C=C[C@H](CCC(=O)[O-])NS(=O)(=O)c1cncc(F)c1	ZINC000562651804	390490286	/nfs/dbraw/zinc/49/02/86/390490286.db2.gz	RPVAFQPDYSNBJK-SECBINFHSA-N	-1	0	288.300	0.918	20	30		CCEDRM
C=C[C@@H]1OCCC[C@H]1C(=O)N1C[C@@H](OC)C[C@@H]1C(=O)[O-]	ZINC000563019670	390492642	/nfs/dbraw/zinc/49/26/42/390492642.db2.gz	KUCLANOCFAHKJC-QCNOEVLYSA-N	-1	0	283.324	0.668	20	30		CCEDRM
C=CCCCS(=O)(=O)N[C@@](C)(COC)C(=O)[O-]	ZINC000563079818	390492905	/nfs/dbraw/zinc/49/29/05/390492905.db2.gz	MJGCMVWVVAKDNK-JTQLQIEISA-N	-1	0	265.331	0.362	20	30		CCEDRM
C=C(C)CS(=O)(=O)NCC1(C(=O)[O-])CCOCC1	ZINC000564799166	390496435	/nfs/dbraw/zinc/49/64/35/390496435.db2.gz	MEFZKBPTHYFGIG-UHFFFAOYSA-N	-1	0	277.342	0.363	20	30		CCEDRM
C=CC[C@@H](NS(=O)(=O)C[C@H](C)COCC)C(=O)[O-]	ZINC000646041018	390580182	/nfs/dbraw/zinc/58/01/82/390580182.db2.gz	INQCHENRMWJXBJ-NXEZZACHSA-N	-1	0	279.358	0.608	20	30		CCEDRM
C=CCCS(=O)(=O)N1CCn2cccc2[C@@H]1C(=O)[O-]	ZINC000520398139	390570717	/nfs/dbraw/zinc/57/07/17/390570717.db2.gz	SGIDMHTVOOZQPR-LLVKDONJSA-N	-1	0	284.337	0.835	20	30		CCEDRM
CC#CC[C@H](CO)NC(=O)N=c1[n-]nc(C2CC2)s1	ZINC000646172598	390623541	/nfs/dbraw/zinc/62/35/41/390623541.db2.gz	DZPXBUAVWRAZMR-SECBINFHSA-N	-1	0	280.353	0.733	20	30		CCEDRM
N#Cc1ccc(C(=O)NC2(c3nnn[n-]3)CCCC2)nc1	ZINC000524574170	390648518	/nfs/dbraw/zinc/64/85/18/390648518.db2.gz	IQCASHNQKJAWCG-UHFFFAOYSA-N	-1	0	283.295	0.666	20	30		CCEDRM
C=CCC[C@H](NC(=O)N[C@H](C)Cn1cncn1)C(=O)[O-]	ZINC000570022844	390717154	/nfs/dbraw/zinc/71/71/54/390717154.db2.gz	VQQSPPNDVJJFQK-ZJUUUORDSA-N	-1	0	281.316	0.385	20	30		CCEDRM
C=CCOC[C@H](NC(=O)NC[C@]1(C)CCCO1)C(=O)[O-]	ZINC000567108099	390671777	/nfs/dbraw/zinc/67/17/77/390671777.db2.gz	OWGBARBBJAZUDM-GWCFXTLKSA-N	-1	0	286.328	0.511	20	30		CCEDRM
C[C@@H]1CN(S(=O)(=O)CC2(C#N)CC2)CC[C@H]1C(=O)[O-]	ZINC000526944186	390684938	/nfs/dbraw/zinc/68/49/38/390684938.db2.gz	BHMZNGDEULOFEU-NXEZZACHSA-N	-1	0	286.353	0.663	20	30		CCEDRM
C=CCCN(C)C(=O)C(=O)N1CC[C@H](C)[C@@H](C(=O)[O-])C1	ZINC000647504531	390825543	/nfs/dbraw/zinc/82/55/43/390825543.db2.gz	AFYFOMMGSLQHDT-QWRGUYRKSA-N	-1	0	282.340	0.590	20	30		CCEDRM
C=CCCN(C)C(=O)C(=O)N1CCC(C)(C(=O)[O-])CC1	ZINC000647504725	390825674	/nfs/dbraw/zinc/82/56/74/390825674.db2.gz	MNEVRYRIPHTSQF-UHFFFAOYSA-N	-1	0	282.340	0.734	20	30		CCEDRM
C=C(CC)CNC(=O)C(=O)N1CCC(C)(C(=O)[O-])CC1	ZINC000647589021	390844283	/nfs/dbraw/zinc/84/42/83/390844283.db2.gz	SEFOQTXAUUOUEF-UHFFFAOYSA-N	-1	0	282.340	0.782	20	30		CCEDRM
C=CCN(CC=C)C(=O)C(=O)N[C@H]1CC[C@@H](C(=O)[O-])C1	ZINC000647591646	390844540	/nfs/dbraw/zinc/84/45/40/390844540.db2.gz	GHTSANXKQLGPFU-MNOVXSKESA-N	-1	0	280.324	0.557	20	30		CCEDRM
C=C[C@@H](CCC(=O)[O-])NS(=O)(=O)c1cn(C)nc1C	ZINC000578437149	390883350	/nfs/dbraw/zinc/88/33/50/390883350.db2.gz	PONGJGQBPXSXBE-VIFPVBQESA-N	-1	0	287.341	0.426	20	30		CCEDRM
COc1ccc(=NC(=O)N=c2ccn(CCC#N)[nH]2)[n-]n1	ZINC000346678925	533254365	/nfs/dbraw/zinc/25/43/65/533254365.db2.gz	YMKVDGYPRFYOQG-UHFFFAOYSA-N	-1	0	287.283	0.083	20	30		CCEDRM
C=CC[C@@H](NS(=O)(=O)N1CCCC[C@@H]1C)C(=O)[O-]	ZINC000227520473	130846543	/nfs/dbraw/zinc/84/65/43/130846543.db2.gz	FHHRSHZUDNCCIQ-VHSXEESVSA-N	-1	0	276.358	0.725	20	30		CCEDRM
C=CCCO[C@H](C)C(=O)NCCSCC(=O)[O-]	ZINC000262387721	131216756	/nfs/dbraw/zinc/21/67/56/131216756.db2.gz	JRNAHAGWDXDTHP-SECBINFHSA-N	-1	0	261.343	0.902	20	30		CCEDRM
COc1cc(C#N)ccc1OCC(=O)N[C@H](C)C(=O)[O-]	ZINC000262714458	131255172	/nfs/dbraw/zinc/25/51/72/131255172.db2.gz	GJBFPVCNIDXYKR-MRVPVSSYSA-N	-1	0	278.264	0.535	20	30		CCEDRM
N#Cc1ccc(S(=O)(=O)N2CCC[C@H]2C(=O)[O-])cc1F	ZINC000263149228	131283780	/nfs/dbraw/zinc/28/37/80/131283780.db2.gz	WTOPEKJYQVKXKR-NSHDSACASA-N	-1	0	298.295	0.935	20	30		CCEDRM
Cc1[n-][nH]c(=NC(=O)c2c[nH]nc2-c2cnn(C)c2)c1C#N	ZINC000357237044	144071649	/nfs/dbraw/zinc/07/16/49/144071649.db2.gz	DISPGYJSGKVUTD-UHFFFAOYSA-N	-1	0	296.294	0.388	20	30		CCEDRM
Cc1[n-][nH]c(=NC(=O)c2cn(C(C)(C)C)nn2)c1C#N	ZINC000357265739	144076096	/nfs/dbraw/zinc/07/60/96/144076096.db2.gz	XHQJUPOPGVGKPZ-UHFFFAOYSA-N	-1	0	273.300	0.611	20	30		CCEDRM
C=CCCO[C@@H](C)C(=O)N[C@@H]1CCO[C@@H]1C(=O)[O-]	ZINC000659172324	413328634	/nfs/dbraw/zinc/32/86/34/413328634.db2.gz	GHUDVDIPQNWGRM-AEJSXWLSSA-N	-1	0	257.286	0.326	20	30		CCEDRM
C=CCOCCCC(=O)N[C@H]1CCO[C@H]1C(=O)[O-]	ZINC000659174625	413330742	/nfs/dbraw/zinc/33/07/42/413330742.db2.gz	NRRGMOUBNFSOBU-GXSJLCMTSA-N	-1	0	257.286	0.328	20	30		CCEDRM
C=C[C@@H]1OCCC[C@H]1NC(=O)c1[nH]nc(C)c1[O-]	ZINC000653943438	412364453	/nfs/dbraw/zinc/36/44/53/412364453.db2.gz	CSCALWTWQXPWAT-BDAKNGLRSA-N	-1	0	251.286	0.887	20	30		CCEDRM
C=CCOCCCNC(=O)N1CC[C@H](C(=O)[O-])C1	ZINC000659413281	413484095	/nfs/dbraw/zinc/48/40/95/413484095.db2.gz	NOSSZCXBANIFKS-JTQLQIEISA-N	-1	0	256.302	0.695	20	30		CCEDRM
C=C[C@@H](CCC(=O)[O-])NS(=O)(=O)CC[C@@H]1CCCO1	ZINC000654787534	412438887	/nfs/dbraw/zinc/43/88/87/412438887.db2.gz	AMWVERKNVOOWPD-QWRGUYRKSA-N	-1	0	291.369	0.894	20	30		CCEDRM
C=CCOC[C@@H](NC(=O)NCCOC(C)C)C(=O)[O-]	ZINC000654812324	412441026	/nfs/dbraw/zinc/44/10/26/412441026.db2.gz	VCONZPLZZZJENB-SNVBAGLBSA-N	-1	0	274.317	0.366	20	30		CCEDRM
C=CCOC[C@H](NC(=O)N[C@@H](C)C(C)C)C(=O)[O-]	ZINC000654804997	412441147	/nfs/dbraw/zinc/44/11/47/412441147.db2.gz	YLPMGWSQCRYLNS-UWVGGRQHSA-N	-1	0	258.318	0.986	20	30		CCEDRM
CN(CC(=O)[O-])CC(=O)Nc1sccc1C#N	ZINC000035304643	172118822	/nfs/dbraw/zinc/11/88/22/172118822.db2.gz	FJFMNAGKCRUBAX-UHFFFAOYSA-N	-1	0	253.283	0.575	20	30		CCEDRM
C=C(C)COCCNC(=O)C(=O)NCC1(C(=O)[O-])CCC1	ZINC000659657177	413756755	/nfs/dbraw/zinc/75/67/55/413756755.db2.gz	PQAJUIMTHDLYRA-UHFFFAOYSA-N	-1	0	298.339	0.066	20	30		CCEDRM
C=CC[C@H]1CCCC[C@@H]1NC(=O)C(=O)NCCC(=O)[O-]	ZINC000659659114	413758282	/nfs/dbraw/zinc/75/82/82/413758282.db2.gz	QJYFTESCDRFSPK-QWRGUYRKSA-N	-1	0	282.340	0.828	20	30		CCEDRM
C=CCN(CCOC)C(=O)C(=O)NCC1(C(=O)[O-])CCC1	ZINC000659667664	413763417	/nfs/dbraw/zinc/76/34/17/413763417.db2.gz	CODKTCPDCLOPOZ-UHFFFAOYSA-N	-1	0	298.339	0.019	20	30		CCEDRM
C=CCCn1cc(CN2CCSC[C@H]2C(=O)[O-])nn1	ZINC000659789289	413878294	/nfs/dbraw/zinc/87/82/94/413878294.db2.gz	AOYYFCMGACOFBC-NSHDSACASA-N	-1	0	282.369	0.856	20	30		CCEDRM
CC(C)(NC(=O)COc1ccc(C#N)cc1)C(=O)[O-]	ZINC000040909791	174431622	/nfs/dbraw/zinc/43/16/22/174431622.db2.gz	BWZSZMRAWYATOL-UHFFFAOYSA-N	-1	0	262.265	0.916	20	30		CCEDRM
C=CCNC(=O)CNC(=O)C1(C(=O)[O-])CCCCCC1	ZINC000663042766	414962417	/nfs/dbraw/zinc/96/24/17/414962417.db2.gz	XHVIZPAJJXIKBW-UHFFFAOYSA-N	-1	0	282.340	0.830	20	30		CCEDRM
C=CCOCCNS(=O)(=O)c1cccc(CC(=O)[O-])c1	ZINC000663430287	415065540	/nfs/dbraw/zinc/06/55/40/415065540.db2.gz	OUHHXTJXAFQCJG-UHFFFAOYSA-N	-1	0	299.348	0.795	20	30		CCEDRM
C=CCOCCNC(=O)N1CC[C@@H](OC)C[C@H]1C(=O)[O-]	ZINC000663265694	415031356	/nfs/dbraw/zinc/03/13/56/415031356.db2.gz	JDVQLDXAMMBNEM-MNOVXSKESA-N	-1	0	286.328	0.463	20	30		CCEDRM
C=CCCS(=O)(=O)N1CC2(CCC2)[C@@H]1C(=O)[O-]	ZINC000663287246	415038658	/nfs/dbraw/zinc/03/86/58/415038658.db2.gz	HKKNYWJDMQJVMT-VIFPVBQESA-N	-1	0	259.327	0.831	20	30		CCEDRM
C=CC[C@H](CO)CNC(=O)NC[C@H](C(=O)[O-])C1CCC1	ZINC000665322323	415599863	/nfs/dbraw/zinc/59/98/63/415599863.db2.gz	BNTZBMDAXZALJQ-JQWIXIFHSA-N	-1	0	284.356	0.971	20	30		CCEDRM
O=C(N=c1cn[n-]s1)NCCN1C(=O)CCC1=O	ZINC000330016858	228017114	/nfs/dbraw/zinc/01/71/14/228017114.db2.gz	QFMBTTVFCPNSLV-UHFFFAOYSA-N	-1	0	269.286	0.013	20	30		CCEDRM
C=CC[C@@H](NS(=O)(=O)c1ccccc1)C(=O)[O-]	ZINC000147095058	544644746	/nfs/dbraw/zinc/64/47/46/544644746.db2.gz	IFYJMNBHVKUESZ-SNVBAGLBSA-N	-1	0	255.295	0.994	20	30		CCEDRM
C=CC[C@@H](NS(=O)(=O)N1CCC(C)CC1)C(=O)[O-]	ZINC000161280492	544705539	/nfs/dbraw/zinc/70/55/39/544705539.db2.gz	WFSPQCAJFSUVHX-SNVBAGLBSA-N	-1	0	276.358	0.582	20	30		CCEDRM
C=CCCCCNC(=O)N1CCO[C@@H](C(=O)[O-])C1	ZINC000311013647	545011555	/nfs/dbraw/zinc/01/15/55/545011555.db2.gz	MHOCRRXOXZLKQA-SNVBAGLBSA-N	-1	0	256.302	0.838	20	30		CCEDRM
CCOC(=O)c1c[nH]nc1S(=O)(=O)NCCCC#N	ZINC000054137568	260216380	/nfs/dbraw/zinc/21/63/80/260216380.db2.gz	HIGUIHRNNORQMV-UHFFFAOYSA-N	-1	0	286.313	0.168	20	30		CCEDRM
N#CCCN(CCC#N)S(=O)(=O)[N-]CC(F)(F)F	ZINC000192021188	262197382	/nfs/dbraw/zinc/19/73/82/262197382.db2.gz	HJZSJGFSOZSVDW-UHFFFAOYSA-N	-1	0	284.263	0.512	20	30		CCEDRM
C=CC[C@H](CO)NC(=O)N=c1nc2nc(C)cc(C)n2[n-]1	ZINC000337240774	262439822	/nfs/dbraw/zinc/43/98/22/262439822.db2.gz	FNWQMYZJUSGEKG-SNVBAGLBSA-N	-1	0	290.327	0.222	20	30		CCEDRM
C=CCN=c1[n-]nc(SCC(=O)NCC#N)s1	ZINC000342777552	263495888	/nfs/dbraw/zinc/49/58/88/263495888.db2.gz	IMHGKLWBSKLKKT-UHFFFAOYSA-N	-1	0	269.355	0.290	20	30		CCEDRM
N#CC1(NC(=O)CSc2n[nH]c(=O)[n-]2)CCCC1	ZINC000330728065	264036097	/nfs/dbraw/zinc/03/60/97/264036097.db2.gz	GKMSSCIWFYDSJJ-UHFFFAOYSA-N	-1	0	267.314	0.555	20	30		CCEDRM
N#CCCC/N=C(/[O-])c1cnc2n(c1=O)CCS2	ZINC000330801021	264041516	/nfs/dbraw/zinc/04/15/16/264041516.db2.gz	DUPLCGGSOMEWPP-UHFFFAOYSA-N	-1	0	264.310	0.957	20	30		CCEDRM
Cc1n[n-]c(=NC(=O)NCc2cn(C)nc2C)s1	ZINC000330962968	264089537	/nfs/dbraw/zinc/08/95/37/264089537.db2.gz	AXCJBUFQENWCPE-UHFFFAOYSA-N	-1	0	266.330	0.836	20	30		CCEDRM
C=C[C@@H](CO)NC(=O)c1nn(-c2ccccc2)cc1[O-]	ZINC000356847629	266188541	/nfs/dbraw/zinc/18/85/41/266188541.db2.gz	KYJLBDRHFNTCFZ-JTQLQIEISA-N	-1	0	273.292	0.855	20	30		CCEDRM
C=CCOCCNC(=O)N[C@H](CC1CC1)C(=O)[O-]	ZINC000385387376	545085316	/nfs/dbraw/zinc/08/53/16/545085316.db2.gz	YCOGRUPAPYPLIR-SNVBAGLBSA-N	-1	0	256.302	0.742	20	30		CCEDRM
C=C(C)[C@@H](CC(=O)[N-]S(=O)(=O)CCOC)OCC	ZINC000756565999	581928728	/nfs/dbraw/zinc/92/87/28/581928728.db2.gz	XVZVVLOKDNAPFW-SNVBAGLBSA-N	-1	0	279.358	0.450	20	30		CCEDRM
N#CCCCS(=O)(=O)N1CCn2cccc2[C@H]1C(=O)[O-]	ZINC000571315719	328104632	/nfs/dbraw/zinc/10/46/32/328104632.db2.gz	MVHADYSJRCLJHD-NSHDSACASA-N	-1	0	297.336	0.563	20	30		CCEDRM
C=C(C)CS(=O)(=O)N1CSC[C@@H]1C(=O)[O-]	ZINC000571450779	328122883	/nfs/dbraw/zinc/12/28/83/328122883.db2.gz	VWHZTTVRUJMKCP-SSDOTTSWSA-N	-1	0	251.329	0.352	20	30		CCEDRM
C=C(C)[C@@H]1OCC[C@H]1CNc1ncncc1C(=O)[O-]	ZINC000565661904	326990673	/nfs/dbraw/zinc/99/06/73/326990673.db2.gz	WWGCVHJRGFIXJZ-ONGXEEELSA-N	-1	0	263.297	0.990	20	30		CCEDRM
O=C(NCC#CCO)c1cc(F)c(F)c([O-])c1F	ZINC000559245808	327149794	/nfs/dbraw/zinc/14/97/94/327149794.db2.gz	NWKRQBOFBQGPSN-UHFFFAOYSA-N	-1	0	259.183	0.535	20	30		CCEDRM
C=CCCS(=O)(=O)N1C[C@H](C)O[C@@H](C)[C@@H]1C(=O)[O-]	ZINC000574813174	327381894	/nfs/dbraw/zinc/38/18/94/327381894.db2.gz	SERLUWJVINRXNT-LPEHRKFASA-N	-1	0	277.342	0.455	20	30		CCEDRM
C=C(C)COCCNC(=O)N[C@@](CC)(COC)C(=O)[O-]	ZINC000392798595	329014659	/nfs/dbraw/zinc/01/46/59/329014659.db2.gz	OAVVLJHAJMGQEY-ZDUSSCGKSA-N	-1	0	288.344	0.758	20	30		CCEDRM
CCc1cncc(C(=O)N=c2[n-]n(C)cc2C#N)c1	ZINC000582765477	329154847	/nfs/dbraw/zinc/15/48/47/329154847.db2.gz	WAROHLGFULKJAA-UHFFFAOYSA-N	-1	0	255.281	0.923	20	30		CCEDRM
C#CCCCCC(=O)[N-]S(=O)(=O)C[C@H](C)OC	ZINC000764190594	582034966	/nfs/dbraw/zinc/03/49/66/582034966.db2.gz	ZFBLANAZAWDYOL-JTQLQIEISA-N	-1	0	261.343	0.661	20	30		CCEDRM
N#CCCCS(=O)(=O)N1CCc2onc(C(=O)[O-])c2C1	ZINC000582990840	329294434	/nfs/dbraw/zinc/29/44/34/329294434.db2.gz	YPMMXXYYTDRKHI-UHFFFAOYSA-N	-1	0	299.308	0.364	20	30		CCEDRM
CCCC[C@H](NS(=O)(=O)CC1(C#N)CC1)C(=O)[O-]	ZINC000262499208	330017905	/nfs/dbraw/zinc/01/79/05/330017905.db2.gz	YWAJOIIFZRXLTP-VIFPVBQESA-N	-1	0	274.342	0.853	20	30		CCEDRM
C=CCC[C@H](NC(=O)CC(=O)NCC(F)(F)F)C(=O)[O-]	ZINC000262881921	330036000	/nfs/dbraw/zinc/03/60/00/330036000.db2.gz	KQXKOILGQBQAPI-ZETCQYMHSA-N	-1	0	296.245	0.591	20	30		CCEDRM
C[C@H](CN(C)C(=O)C1(C#N)CCOCC1)C(=O)[O-]	ZINC000262905110	330036665	/nfs/dbraw/zinc/03/66/65/330036665.db2.gz	BYGOXSZIAYEPSK-SECBINFHSA-N	-1	0	254.286	0.486	20	30		CCEDRM
C=CCOC[C@@H](NC(=O)c1noc2c1CCCC2)C(=O)[O-]	ZINC000262935862	330037285	/nfs/dbraw/zinc/03/72/85/330037285.db2.gz	HJJRWQBUDPKDNH-SNVBAGLBSA-N	-1	0	294.307	0.939	20	30		CCEDRM
C=CCOC[C@@H](NC(=O)c1cc(OC)ccc1O)C(=O)[O-]	ZINC000262978258	330038027	/nfs/dbraw/zinc/03/80/27/330038027.db2.gz	KLTYAYHMBALAOJ-LLVKDONJSA-N	-1	0	295.291	0.786	20	30		CCEDRM
C=CCOC[C@@H](NC(=O)C1(OC)CCC1)C(=O)[O-]	ZINC000263133665	330045225	/nfs/dbraw/zinc/04/52/25/330045225.db2.gz	WEHLLFHKVXYDIC-SECBINFHSA-N	-1	0	257.286	0.328	20	30		CCEDRM
C[C@@H]1CC[C@H](C(=O)[O-])CN1S(=O)(=O)CC1(C#N)CC1	ZINC000263215545	330049628	/nfs/dbraw/zinc/04/96/28/330049628.db2.gz	ZXQVZCCTCAALDK-ZJUUUORDSA-N	-1	0	286.353	0.805	20	30		CCEDRM
C/C=C/C[C@H](NC(=O)C1(C#N)CCOCC1)C(=O)[O-]	ZINC000263285026	330051593	/nfs/dbraw/zinc/05/15/93/330051593.db2.gz	PGVJUEMUALVIKK-PBKGFPTLSA-N	-1	0	266.297	0.842	20	30		CCEDRM
C#C[C@@H](NC(=O)N(C)CCC(=O)[O-])[C@@H]1CCCO1	ZINC000263420663	330055095	/nfs/dbraw/zinc/05/50/95/330055095.db2.gz	WTWMIRRYHJUXSS-ZJUUUORDSA-N	-1	0	254.286	0.283	20	30		CCEDRM
CCCN(CC(=O)[O-])S(=O)(=O)N(C)[C@H](C)CC#N	ZINC000263514339	330058565	/nfs/dbraw/zinc/05/85/65/330058565.db2.gz	ZBMDTAKBGCDHDN-SECBINFHSA-N	-1	0	277.346	0.262	20	30		CCEDRM
CCC[C@H](NS(=O)(=O)N(C)[C@@H](C)CC#N)C(=O)[O-]	ZINC000263516174	330058654	/nfs/dbraw/zinc/05/86/54/330058654.db2.gz	ZZZGUTCJBQNIAQ-IUCAKERBSA-N	-1	0	277.346	0.308	20	30		CCEDRM
C[C@@H](CC#N)N(C)S(=O)(=O)N1CCC[C@H]1C(=O)[O-]	ZINC000263546916	330059432	/nfs/dbraw/zinc/05/94/32/330059432.db2.gz	HSIQMYUBYNAWIR-IUCAKERBSA-N	-1	0	275.330	0.014	20	30		CCEDRM
C=C[C@@H]1CCCCN1C(=O)C(=O)N1CC[C@H](C(=O)[O-])C1	ZINC000422909725	330159882	/nfs/dbraw/zinc/15/98/82/330159882.db2.gz	OWJFAGHJHPRIJE-WDEREUQCSA-N	-1	0	280.324	0.487	20	30		CCEDRM
C=C[C@@H]1CCCCN1C(=O)C(=O)N1CCC(C(=O)[O-])CC1	ZINC000422902467	330162365	/nfs/dbraw/zinc/16/23/65/330162365.db2.gz	DGSQWWCZGCADSK-GFCCVEGCSA-N	-1	0	294.351	0.877	20	30		CCEDRM
C=CCCn1cc(C(=O)N2CCC[C@H]2C(=O)[O-])nn1	ZINC000424222248	330330045	/nfs/dbraw/zinc/33/00/45/330330045.db2.gz	DORRBMKBOHQLFD-JTQLQIEISA-N	-1	0	264.285	0.543	20	30		CCEDRM
C[C@H]1CCCN(S(=O)(=O)CCCC#N)[C@H]1C(=O)[O-]	ZINC000424364133	330347709	/nfs/dbraw/zinc/34/77/09/330347709.db2.gz	CUBRCBQSNCBONQ-VHSXEESVSA-N	-1	0	274.342	0.805	20	30		CCEDRM
C[C@@H]1CCCN(S(=O)(=O)N(C)CCC#N)[C@@H]1C(=O)[O-]	ZINC000424366142	330347886	/nfs/dbraw/zinc/34/78/86/330347886.db2.gz	ILPWMMZNNHMTAK-ZJUUUORDSA-N	-1	0	289.357	0.262	20	30		CCEDRM
C[C@@H]1CCCN(S(=O)(=O)N(C)CCC#N)[C@H]1C(=O)[O-]	ZINC000424366139	330347956	/nfs/dbraw/zinc/34/79/56/330347956.db2.gz	ILPWMMZNNHMTAK-NXEZZACHSA-N	-1	0	289.357	0.262	20	30		CCEDRM
C=C[C@@H](CO)NC(=O)NC[C@@H](CC(C)C)C(=O)[O-]	ZINC000424428097	330351783	/nfs/dbraw/zinc/35/17/83/330351783.db2.gz	WQSGTGPOQGQMMC-ZJUUUORDSA-N	-1	0	258.318	0.579	20	30		CCEDRM
CC[C@@H](C#N)S(=O)(=O)[N-]c1ccc(C(N)=O)cc1	ZINC000088475031	330376481	/nfs/dbraw/zinc/37/64/81/330376481.db2.gz	FOMNNEZXKLKYGB-JTQLQIEISA-N	-1	0	267.310	0.829	20	30		CCEDRM
C=C[C@@H](CO)NC(=O)c1cccc([N+](=O)[O-])c1[O-]	ZINC000436929534	330688785	/nfs/dbraw/zinc/68/87/85/330688785.db2.gz	FEIYOIXEPSNKMS-ZETCQYMHSA-N	-1	0	252.226	0.577	20	30		CCEDRM
C#CC(C)(C)NC(=O)c1c[nH]c2nc(=O)[n-]c(=O)c-2c1	ZINC000490671308	332101621	/nfs/dbraw/zinc/10/16/21/332101621.db2.gz	QRKZOUPSVVSGAI-UHFFFAOYSA-N	-1	0	272.264	0.578	20	30		CCEDRM
C#CCN(CC#CC)S(=O)(=O)[N-]CC(F)(F)F	ZINC000491624752	332249002	/nfs/dbraw/zinc/24/90/02/332249002.db2.gz	KWTLJWNEECHZRW-UHFFFAOYSA-N	-1	0	268.260	0.342	20	30		CCEDRM
C#C[C@@H](CC)NC(=O)C(=O)N=c1nc(C(C)(C)C)[n-]s1	ZINC000491682751	332285337	/nfs/dbraw/zinc/28/53/37/332285337.db2.gz	UPXLVLMAIFRLAG-QMMMGPOBSA-N	-1	0	294.380	0.724	20	30		CCEDRM
C#C[C@@H](CC)NC(=O)c1c[nH]c2nc(=O)[n-]c(=O)c-2c1	ZINC000491818431	332368647	/nfs/dbraw/zinc/36/86/47/332368647.db2.gz	YTOUEJAGFVMHIQ-QMMMGPOBSA-N	-1	0	272.264	0.578	20	30		CCEDRM
C[C@@H](C#N)CN(C)S(=O)(=O)N[C@@H]1CC[C@H](C(=O)[O-])C1	ZINC000517235999	333095515	/nfs/dbraw/zinc/09/55/15/333095515.db2.gz	FRLDCABECJQKAA-LPEHRKFASA-N	-1	0	289.357	0.166	20	30		CCEDRM
C=CCOC[C@H](NS(=O)(=O)c1ccc(C)cc1)C(=O)[O-]	ZINC000575985702	335138273	/nfs/dbraw/zinc/13/82/73/335138273.db2.gz	YUGSMWBDMAANQK-LBPRGKRZSA-N	-1	0	299.348	0.929	20	30		CCEDRM
CC#CC[C@H](NS(=O)(=O)N(C)[C@H](C)C1CC1)C(=O)[O-]	ZINC000540999705	333757736	/nfs/dbraw/zinc/75/77/36/333757736.db2.gz	DPRQJFWLNMYLDK-KOLCDFICSA-N	-1	0	288.369	0.418	20	30		CCEDRM
CN(CCC#N)S(=O)(=O)NCc1ccc(C(=O)[O-])o1	ZINC000547940613	334130070	/nfs/dbraw/zinc/13/00/70/334130070.db2.gz	RVKHVQWDIMGHCR-UHFFFAOYSA-N	-1	0	287.297	0.158	20	30		CCEDRM
COCCN(CCC(=O)[O-])S(=O)(=O)CCCCC#N	ZINC000548562250	334162711	/nfs/dbraw/zinc/16/27/11/334162711.db2.gz	MDNMGVYWSSTHRQ-UHFFFAOYSA-N	-1	0	292.357	0.433	20	30		CCEDRM
C=CCCS(=O)(=O)N[C@@H](Cn1cc(C)cn1)C(=O)[O-]	ZINC000548537822	334162367	/nfs/dbraw/zinc/16/23/67/334162367.db2.gz	GRCXUUVQBLZKEN-JTQLQIEISA-N	-1	0	287.341	0.140	20	30		CCEDRM
C=CCOC[C@@H](NC(=O)CSC(C)C)C(=O)[O-]	ZINC000564779704	334520354	/nfs/dbraw/zinc/52/03/54/334520354.db2.gz	WCMJJGANHULQGE-SECBINFHSA-N	-1	0	261.343	0.900	20	30		CCEDRM
C=C(C)[C@H]1OCC[C@H]1C(=O)N1CC[C@@H](C(=O)[O-])C1	ZINC000565602490	334578444	/nfs/dbraw/zinc/57/84/44/334578444.db2.gz	VVJKRBGZPVDKBQ-GMTAPVOTSA-N	-1	0	253.298	0.901	20	30		CCEDRM
C=C(C)[C@H]1OCC[C@H]1C(=O)N1CC[C@H](C(=O)[O-])C1	ZINC000565602499	334578543	/nfs/dbraw/zinc/57/85/43/334578543.db2.gz	VVJKRBGZPVDKBQ-HBNTYKKESA-N	-1	0	253.298	0.901	20	30		CCEDRM
C=CCCS(=O)(=O)N[C@H](C(=O)[O-])[C@H]1CCCOC1	ZINC000567691513	334752402	/nfs/dbraw/zinc/75/24/02/334752402.db2.gz	YSRUVVZMJBISNH-UWVGGRQHSA-N	-1	0	277.342	0.362	20	30		CCEDRM
C=CCC[C@H](NS(=O)(=O)N1CCCC1)C(=O)[O-]	ZINC000316327311	334819826	/nfs/dbraw/zinc/81/98/26/334819826.db2.gz	LYGVNDVVBREPLY-VIFPVBQESA-N	-1	0	262.331	0.336	20	30		CCEDRM
C=CCOC[C@H](NC(=O)[C@@H](C)OCC(C)C)C(=O)[O-]	ZINC000573203984	334917054	/nfs/dbraw/zinc/91/70/54/334917054.db2.gz	ZTTUZWAOPGHVGL-MNOVXSKESA-N	-1	0	273.329	0.820	20	30		CCEDRM
C[C@H](CC#N)N(C)S(=O)(=O)N[C@H](C(=O)[O-])C(C)(C)C	ZINC000576827270	335252966	/nfs/dbraw/zinc/25/29/66/335252966.db2.gz	RFSOCTPVKUSCFT-RKDXNWHRSA-N	-1	0	291.373	0.554	20	30		CCEDRM
C[C@@H]1CCN(S(=O)(=O)CC2(C#N)CC2)C[C@H]1C(=O)[O-]	ZINC000581192548	336022367	/nfs/dbraw/zinc/02/23/67/336022367.db2.gz	QVNFRZNAQWBPPV-NXEZZACHSA-N	-1	0	286.353	0.663	20	30		CCEDRM
N#CCCCCS(=O)(=O)NC[C@@H](CC(=O)[O-])C(F)F	ZINC000581751376	336142126	/nfs/dbraw/zinc/14/21/26/336142126.db2.gz	WWTBGVFKVPNOLR-MRVPVSSYSA-N	-1	0	298.311	0.956	20	30		CCEDRM
COC(=O)c1ncsc1S(=O)(=O)[N-][C@@H](C)C#N	ZINC000347321697	534368624	/nfs/dbraw/zinc/36/86/24/534368624.db2.gz	NUFQAQPUGNMCNW-YFKPBYRVSA-N	-1	0	275.311	0.120	20	30		CCEDRM
C=CCOCCCC(=O)N(CCOC)CC(=O)[O-]	ZINC000268939133	534871368	/nfs/dbraw/zinc/87/13/68/534871368.db2.gz	IRGJUWKCSWZDLT-UHFFFAOYSA-N	-1	0	259.302	0.529	20	30		CCEDRM
C=CCNC(=O)CNC(=O)N=c1nc([C@@H](C)OC)[n-]s1	ZINC000350653089	526552554	/nfs/dbraw/zinc/55/25/54/526552554.db2.gz	LQXZGYDGFPGENS-SSDOTTSWSA-N	-1	0	299.356	0.091	20	30		CCEDRM
C=CCN(CC(=O)[O-])S(=O)(=O)c1ccc(OC)cc1	ZINC000106101860	527583927	/nfs/dbraw/zinc/58/39/27/527583927.db2.gz	GRDNOAACYFCVIB-UHFFFAOYSA-N	-1	0	285.321	0.957	20	30		CCEDRM
C=CCCOCC(=O)N1CCOC[C@@H]1CC(=O)[O-]	ZINC000675091069	545321533	/nfs/dbraw/zinc/32/15/33/545321533.db2.gz	CDLXDTIFMORCIL-JTQLQIEISA-N	-1	0	257.286	0.281	20	30		CCEDRM
C=CC[C@H](NS(=O)(=O)c1cn(C(C)C)cn1)C(=O)[O-]	ZINC000681557483	545456214	/nfs/dbraw/zinc/45/62/14/545456214.db2.gz	BAISZACYWXMKRI-VIFPVBQESA-N	-1	0	287.341	0.772	20	30		CCEDRM
COCCO[N-]C(=O)C(=O)Nc1ccc(C#N)cc1Cl	ZINC000789827266	581158377	/nfs/dbraw/zinc/15/83/77/581158377.db2.gz	PLIRMWMTEAYELY-UHFFFAOYSA-N	-1	0	297.698	0.844	20	30		CCEDRM
CCC[C@@H](NC(=O)[O-])C(=O)N[C@]1(C#N)CCSC1	ZINC000739312875	581103659	/nfs/dbraw/zinc/10/36/59/581103659.db2.gz	NRZAAWROPCWEQC-KCJUWKMLSA-N	-1	0	271.342	0.938	20	30		CCEDRM
O=C([O-])COc1ccccc1C=NN[C@H]1CCOC1	ZINC000788457129	581112285	/nfs/dbraw/zinc/11/22/85/581112285.db2.gz	PSXLRPOIGPJFDQ-NSHDSACASA-N	-1	0	264.281	0.862	20	30		CCEDRM
C[C@@H]1CN=C(NN=Cc2ccc(O)c(C(=O)[O-])c2)N1	ZINC000777442552	581115748	/nfs/dbraw/zinc/11/57/48/581115748.db2.gz	KQLPROVHRZLXAD-SSDOTTSWSA-N	-1	0	262.269	0.362	20	30		CCEDRM
N#Cc1ccc(NCC(=O)[N-]OC[C@H]2CCOC2)nc1	ZINC000788569718	581116545	/nfs/dbraw/zinc/11/65/45/581116545.db2.gz	JVNLKLGKEBECBE-NSHDSACASA-N	-1	0	276.296	0.449	20	30		CCEDRM
COCC1(C(=O)[N-]S(=O)(=O)CC(C)(C)C#N)CC1	ZINC000779256151	581178452	/nfs/dbraw/zinc/17/84/52/581178452.db2.gz	KKNHOLDOSYXDKX-UHFFFAOYSA-N	-1	0	274.342	0.409	20	30		CCEDRM
C[C@H]1CN(C(=O)c2ccc(C#N)nc2)CCN1C(=O)[O-]	ZINC000739164635	581187037	/nfs/dbraw/zinc/18/70/37/581187037.db2.gz	FJPKHTIJTFIBDJ-VIFPVBQESA-N	-1	0	274.280	0.778	20	30		CCEDRM
CC1(C)C[C@H](NN=Cc2cn(CC(=O)[O-])nn2)CCO1	ZINC000780250648	581223909	/nfs/dbraw/zinc/22/39/09/581223909.db2.gz	QZSIJIACOBUFPC-SECBINFHSA-N	-1	0	281.316	0.244	20	30		CCEDRM
C#CCCCCCC(=O)[N-]S(=O)(=O)N(C)CC	ZINC000780387122	581226661	/nfs/dbraw/zinc/22/66/61/581226661.db2.gz	GPIRZVBPFSCEHI-UHFFFAOYSA-N	-1	0	260.359	0.883	20	30		CCEDRM
CC(C)(C#N)CS(=O)(=O)[N-]C(=O)[C@@H]1[C@@H]2CCCO[C@H]12	ZINC000780474910	581229878	/nfs/dbraw/zinc/22/98/78/581229878.db2.gz	AKOSVJWOPPWBFC-AEJSXWLSSA-N	-1	0	286.353	0.407	20	30		CCEDRM
C=CCNC(=O)C(C#N)=C([O-])c1cnn(CCC)c1	ZINC000781763574	581276849	/nfs/dbraw/zinc/27/68/49/581276849.db2.gz	ITFBZOAEONNLNX-NSHDSACASA-N	-1	0	260.297	0.918	20	30		CCEDRM
CC[C@@H](NN=Cc1cnn(CCOC)c1)C(=O)[O-]	ZINC000793070506	581283230	/nfs/dbraw/zinc/28/32/30/581283230.db2.gz	BRHOGYDMBRRYGN-SNVBAGLBSA-N	-1	0	254.290	0.316	20	30		CCEDRM
CC[C@H](NN=Cc1cnc(C2OCCO2)s1)C(=O)[O-]	ZINC000793072944	581283712	/nfs/dbraw/zinc/28/37/12/581283712.db2.gz	WWFYZWQVOMLPEW-QMMMGPOBSA-N	-1	0	285.325	0.975	20	30		CCEDRM
Cc1ccc(C(=O)[N-]S(=O)(=O)CC2(C#N)CC2)n1C	ZINC000793212953	581288478	/nfs/dbraw/zinc/28/84/78/581288478.db2.gz	WWVRMMLPXOHGPW-UHFFFAOYSA-N	-1	0	281.337	0.697	20	30		CCEDRM
N#CCSCC(=O)N[C@@H]1CCC[C@@H]1CNC(=O)[O-]	ZINC000740310107	581323771	/nfs/dbraw/zinc/32/37/71/581323771.db2.gz	FQILATVCYGPCPN-RKDXNWHRSA-N	-1	0	271.342	0.796	20	30		CCEDRM
COc1cccc(C(=O)N(CC#N)CC(=O)[O-])c1O	ZINC000738082654	581325315	/nfs/dbraw/zinc/32/53/15/581325315.db2.gz	FCVRDNLWTJFFOU-UHFFFAOYSA-N	-1	0	264.237	0.451	20	30		CCEDRM
N#Cc1ccc(OCC(=O)N2CC[C@H](NC(=O)[O-])C2)cc1	ZINC000740319099	581325868	/nfs/dbraw/zinc/32/58/68/581325868.db2.gz	KNWATPDGDVMOOH-NSHDSACASA-N	-1	0	289.291	0.806	20	30		CCEDRM
C#CCN(CC)C(=O)NC[C@@H]1CCCN1C(=O)[O-]	ZINC000738460504	581333347	/nfs/dbraw/zinc/33/33/47/581333347.db2.gz	KNRZGLDIFVZOQQ-JTQLQIEISA-N	-1	0	253.302	0.794	20	30		CCEDRM
Cc1nn2cccnc2c1C([O-])=C(C#N)C(=O)NC(C)C	ZINC000727954158	581342794	/nfs/dbraw/zinc/34/27/94/581342794.db2.gz	LEWVJXWGWYZUHN-JTQLQIEISA-N	-1	0	285.307	0.885	20	30		CCEDRM
C=C(COC(=O)[C@H]1CCN(C(=O)[O-])C1)C(=O)OCC	ZINC000738485686	581356346	/nfs/dbraw/zinc/35/63/46/581356346.db2.gz	NMNNPCOEVUXCKC-VIFPVBQESA-N	-1	0	271.269	0.649	20	30		CCEDRM
CNC(=O)C(C#N)=C([O-])c1cnn(CCC(F)(F)F)c1	ZINC000784834331	581395414	/nfs/dbraw/zinc/39/54/14/581395414.db2.gz	WVFIPYPSHOWJBZ-MRVPVSSYSA-N	-1	0	288.229	0.904	20	30		CCEDRM
C#CCOc1cc(F)ccc1NC(=O)C(=O)[N-]OCC	ZINC000785359194	581406414	/nfs/dbraw/zinc/40/64/14/581406414.db2.gz	XEGGEHNXCARYDG-UHFFFAOYSA-N	-1	0	280.255	0.844	20	30		CCEDRM
CC(C)NC(=O)C(C#N)=C([O-])c1ccnc(C#N)c1	ZINC000796629658	581446678	/nfs/dbraw/zinc/44/66/78/581446678.db2.gz	LZLUGGWHEYIXMW-NSHDSACASA-N	-1	0	256.265	0.800	20	30		CCEDRM
COCCCNC(=O)C(C#N)=C([O-])c1cncs1	ZINC000796740016	581449422	/nfs/dbraw/zinc/44/94/22/581449422.db2.gz	IWFFWJGSJMHBEO-QMMMGPOBSA-N	-1	0	267.310	0.618	20	30		CCEDRM
N#CC(C(=O)NC1CC1)=C([O-])c1occ2c1CCOC2	ZINC000796794545	581450819	/nfs/dbraw/zinc/45/08/19/581450819.db2.gz	UQEPVWQKWTXJRL-NSHDSACASA-N	-1	0	274.276	0.953	20	30		CCEDRM
COCCCCS(=O)(=O)[N-]C(=O)c1ccnc(C#N)c1	ZINC000796845742	581452308	/nfs/dbraw/zinc/45/23/08/581452308.db2.gz	ZLALAXVZDQVPLI-UHFFFAOYSA-N	-1	0	297.336	0.439	20	30		CCEDRM
COC(=O)c1ccc(C(=O)[N-]S(=O)(=O)CCCC#N)[nH]1	ZINC000797029912	581458245	/nfs/dbraw/zinc/45/82/45/581458245.db2.gz	AXOXKCTUZNUTIL-UHFFFAOYSA-N	-1	0	299.308	0.165	20	30		CCEDRM
CO[C@@H](C)CS(=O)(=O)[N-]C(=O)c1ccc(C#N)o1	ZINC000797167842	581460905	/nfs/dbraw/zinc/46/09/05/581460905.db2.gz	AHEKFDYCYZSPTH-ZETCQYMHSA-N	-1	0	272.282	0.246	20	30		CCEDRM
N#Cc1ccc2c(c1)CC[C@H]2NC(=O)c1cc(=O)[nH][n-]1	ZINC000787990802	581484188	/nfs/dbraw/zinc/48/41/88/581484188.db2.gz	DADMDQIMKKWOCU-LLVKDONJSA-N	-1	0	268.276	0.538	20	30		CCEDRM
N#Cc1cccnc1NCCOC(=O)CNC(=O)[O-]	ZINC000739142452	581510819	/nfs/dbraw/zinc/51/08/19/581510819.db2.gz	MCGXRCNENJUJKT-UHFFFAOYSA-N	-1	0	264.241	0.176	20	30		CCEDRM
CCN(CCC#N)C(=O)CN1CCN(C(=O)[O-])[C@H](C)C1	ZINC000739416245	581549251	/nfs/dbraw/zinc/54/92/51/581549251.db2.gz	YYDCPGGQMUIKDD-LLVKDONJSA-N	-1	0	282.344	0.433	20	30		CCEDRM
CCNc1nc(N=NC2CN(C(=O)[O-])C2)nc(NCC)n1	ZINC000739465117	581558661	/nfs/dbraw/zinc/55/86/61/581558661.db2.gz	FPUOZUZPBYVKIF-UHFFFAOYSA-N	-1	0	294.319	0.497	20	30		CCEDRM
CN(CCCNC(=O)c1ccc(C#N)nc1)C(=O)[O-]	ZINC000739679541	581591421	/nfs/dbraw/zinc/59/14/21/581591421.db2.gz	FMBLRRDTLRXQAI-UHFFFAOYSA-N	-1	0	262.269	0.683	20	30		CCEDRM
CN(CCN1CCN(C(=O)[O-])CC1)c1ncccc1C#N	ZINC000739687437	581593121	/nfs/dbraw/zinc/59/31/21/581593121.db2.gz	LFSKCOGSDBHDFS-UHFFFAOYSA-N	-1	0	289.339	0.685	20	30		CCEDRM
CN(CCNC(=O)NCc1cccc(C#N)c1)C(=O)[O-]	ZINC000739693473	581594553	/nfs/dbraw/zinc/59/45/53/581594553.db2.gz	UJGMCGDKPDOWJM-UHFFFAOYSA-N	-1	0	276.296	0.967	20	30		CCEDRM
CN(Cc1ccc(C#N)cc1)C(=O)COCCNC(=O)[O-]	ZINC000739704690	581597090	/nfs/dbraw/zinc/59/70/90/581597090.db2.gz	JYBYTCWFQYXHON-UHFFFAOYSA-N	-1	0	291.307	0.801	20	30		CCEDRM
COc1ccc(C#N)cc1NC(=O)COCCNC(=O)[O-]	ZINC000739881594	581632023	/nfs/dbraw/zinc/63/20/23/581632023.db2.gz	UUWJLFQVIXBPTL-UHFFFAOYSA-N	-1	0	293.279	0.790	20	30		CCEDRM
N#C[C@@H](C(=O)CSCC(=O)[O-])C(=O)NC1CCCCC1	ZINC000740303896	581661780	/nfs/dbraw/zinc/66/17/80/581661780.db2.gz	NJPFVKKPBLSFIW-JTQLQIEISA-N	-1	0	298.364	0.962	20	30		CCEDRM
N#CCN1CCC[C@@H](CNC(=O)[C@H]2CCCN2C(=O)[O-])C1	ZINC000740305224	581662515	/nfs/dbraw/zinc/66/25/15/581662515.db2.gz	IDYBLODQZGOTGQ-NWDGAFQWSA-N	-1	0	294.355	0.481	20	30		CCEDRM
N#CCN(CC#N)C(=O)[C@H]1CCC[C@H](NC(=O)[O-])C1	ZINC000740305578	581662583	/nfs/dbraw/zinc/66/25/83/581662583.db2.gz	PCPDYRSHDAHAFT-UWVGGRQHSA-N	-1	0	264.285	0.689	20	30		CCEDRM
N#CCNC(=O)COC(=O)c1ccc(CNC(=O)[O-])cc1	ZINC000740305914	581663034	/nfs/dbraw/zinc/66/30/34/581663034.db2.gz	XCSJVOBAGYXPNO-UHFFFAOYSA-N	-1	0	291.263	0.251	20	30		CCEDRM
N#CCCCCNC(=O)CN(C[C@@H]1CCCO1)C(=O)[O-]	ZINC000740306723	581663069	/nfs/dbraw/zinc/66/30/69/581663069.db2.gz	KJMQZIQIDKNLDX-NSHDSACASA-N	-1	0	283.328	0.955	20	30		CCEDRM
N#C[C@@H]1CN(C(=O)[C@H]2CCN(C(=O)[O-])C2)CCN1C1CC1	ZINC000740309712	581663851	/nfs/dbraw/zinc/66/38/51/581663851.db2.gz	MIHHHAOKULWBOL-CMPLNLGQSA-N	-1	0	292.339	0.185	20	30		CCEDRM
N#CC1(NC(=O)CC2CCN(C(=O)[O-])CC2)CCOCC1	ZINC000740309980	581663854	/nfs/dbraw/zinc/66/38/54/581663854.db2.gz	QHBCCIRVFBISKT-UHFFFAOYSA-N	-1	0	295.339	0.955	20	30		CCEDRM
N#CCn1cc(NC(=O)CSCC(=O)[O-])cn1	ZINC000740310836	581663935	/nfs/dbraw/zinc/66/39/35/581663935.db2.gz	KDOOURQXRBRRIC-UHFFFAOYSA-N	-1	0	254.271	0.163	20	30		CCEDRM
N#Cc1ccc(C(=O)N2CC[C@@H](NC(=O)[O-])C2)cn1	ZINC000740312275	581664491	/nfs/dbraw/zinc/66/44/91/581664491.db2.gz	BWPFFYPJGGUWAJ-SNVBAGLBSA-N	-1	0	260.253	0.435	20	30		CCEDRM
N#Cc1ccc(C(=O)N2CC[C@@H](NC(=O)[O-])C2)nc1	ZINC000740313958	581664647	/nfs/dbraw/zinc/66/46/47/581664647.db2.gz	RRJLYUXFENRWSC-SECBINFHSA-N	-1	0	260.253	0.435	20	30		CCEDRM
C#CCN1CCN(C(=O)[C@@H](NC(=O)[O-])C(C)C)CC1	ZINC000736080002	581687684	/nfs/dbraw/zinc/68/76/84/581687684.db2.gz	QMXISPFMSUQBEA-NSHDSACASA-N	-1	0	267.329	0.056	20	30		CCEDRM
C#CCNC(=O)CN1C[C@H](C(=O)[O-])Oc2ccccc21	ZINC000736079978	581688001	/nfs/dbraw/zinc/68/80/01/581688001.db2.gz	QBSSZKMZNRCRCL-GFCCVEGCSA-N	-1	0	274.276	0.088	20	30		CCEDRM
CON=Cc1ccc(C(=O)N(CC#N)CC(=O)[O-])cc1	ZINC000737839213	581689893	/nfs/dbraw/zinc/68/98/93/581689893.db2.gz	FXCFOSYUMPVAAU-UHFFFAOYSA-N	-1	0	275.264	0.717	20	30		CCEDRM
C#CCSCCNc1cc(C)nc2nc(C(=O)[O-])nn21	ZINC000736088670	581700540	/nfs/dbraw/zinc/70/05/40/581700540.db2.gz	ZZEFKAQJTRGODK-UHFFFAOYSA-N	-1	0	291.336	0.909	20	30		CCEDRM
C=C(COC(=O)C(C)(C)NC(=O)[O-])C(=O)OCC	ZINC000736094792	581702104	/nfs/dbraw/zinc/70/21/04/581702104.db2.gz	WECKGCCEGJEOKK-UHFFFAOYSA-N	-1	0	259.258	0.695	20	30		CCEDRM
CC(=NOCc1noc(CCC(=O)[O-])n1)c1cnn(C)c1	ZINC000736126632	581704310	/nfs/dbraw/zinc/70/43/10/581704310.db2.gz	PZFPLWBBBRKJLF-UHFFFAOYSA-N	-1	0	293.283	0.761	20	30		CCEDRM
CC(=O)c1cccc(OCC(=O)N(CC#N)CC(=O)[O-])c1	ZINC000736197085	581713321	/nfs/dbraw/zinc/71/33/21/581713321.db2.gz	UWCZVMLZKJWCBL-UHFFFAOYSA-N	-1	0	290.275	0.705	20	30		CCEDRM
C[C@H](C#N)C(=O)Nc1nnc(CCC(=O)[O-])s1	ZINC000736200717	581714383	/nfs/dbraw/zinc/71/43/83/581714383.db2.gz	CUANLDRSLUABAH-RXMQYKEDSA-N	-1	0	254.271	0.653	20	30		CCEDRM
CCc1nc(CC(=O)N(CC#N)CC(=O)[O-])cs1	ZINC000737281060	581714839	/nfs/dbraw/zinc/71/48/39/581714839.db2.gz	FMYBKDKFMLZVER-UHFFFAOYSA-N	-1	0	267.310	0.685	20	30		CCEDRM
C=C(Cl)CNC(=O)c1c[nH]c2nc(=O)[n-]c(=O)c-2c1	ZINC000736240804	581721181	/nfs/dbraw/zinc/72/11/81/581721181.db2.gz	RSNIMFRJBFZPSE-UHFFFAOYSA-N	-1	0	280.671	0.918	20	30		CCEDRM
CCc1nn(C)cc1C=NNc1nnc(C)c(=O)[n-]1	ZINC000770597929	581755279	/nfs/dbraw/zinc/75/52/79/581755279.db2.gz	SFTGLAYGRBVAFT-UHFFFAOYSA-N	-1	0	261.289	0.628	20	30		CCEDRM
CC(C)[C@@H](NC(=O)[O-])C(=O)OCCn1ncc(C#N)c1N	ZINC000736379710	581755845	/nfs/dbraw/zinc/75/58/45/581755845.db2.gz	MGZWAIRXCWGYHU-SECBINFHSA-N	-1	0	295.299	0.172	20	30		CCEDRM
Cc1nnc([S-])n(N=Cc2c[nH]c3ncccc23)c1=O	ZINC000741756193	581761647	/nfs/dbraw/zinc/76/16/47/581761647.db2.gz	BCYJACICVJIUSA-UHFFFAOYSA-N	-1	0	286.320	0.994	20	30		CCEDRM
Cn1ccnc1C(=O)C(C#N)=C([O-])c1ccc(C(N)=O)cc1	ZINC000770871125	581775557	/nfs/dbraw/zinc/77/55/57/581775557.db2.gz	HVIHIFCBRJBLJK-LLVKDONJSA-N	-1	0	296.286	0.724	20	30		CCEDRM
C[C@@H](NC(=O)c1cc(=O)[nH][n-]1)c1ccc(C#N)cc1	ZINC000731869132	581788032	/nfs/dbraw/zinc/78/80/32/581788032.db2.gz	MJZIROMAFHXYJX-MRVPVSSYSA-N	-1	0	256.265	0.611	20	30		CCEDRM
CC(=NOCC(N)=O)c1cc([N+](=O)[O-])ccc1[O-]	ZINC000771575602	581810092	/nfs/dbraw/zinc/81/00/92/581810092.db2.gz	VKGBRAZZWHLUJD-UHFFFAOYSA-N	-1	0	253.214	0.526	20	30		CCEDRM
CC(C)(NS(C)(=O)=O)C(=O)Nc1cc(C#N)ccc1[O-]	ZINC000759714251	581817566	/nfs/dbraw/zinc/81/75/66/581817566.db2.gz	YLBIZAIJLJJJMR-UHFFFAOYSA-N	-1	0	297.336	0.530	20	30		CCEDRM
C[C@H](OC(=O)[C@@H]1C[C@@H]1C(=O)[O-])C(=O)N(C)CCC#N	ZINC000736689090	581818256	/nfs/dbraw/zinc/81/82/56/581818256.db2.gz	YEFPYXBNEMZAHW-XHNCKOQMSA-N	-1	0	268.269	0.011	20	30		CCEDRM
CC(C)(CC(=O)N[C@]1(C#N)CCSC1)NC(=O)[O-]	ZINC000738732469	581828869	/nfs/dbraw/zinc/82/88/69/581828869.db2.gz	LNJJXLXQRBLJAA-NSHDSACASA-N	-1	0	271.342	0.938	20	30		CCEDRM
CC(C)(CC(=O)N[C@@]1(C#N)CCSC1)NC(=O)[O-]	ZINC000738732465	581829259	/nfs/dbraw/zinc/82/92/59/581829259.db2.gz	LNJJXLXQRBLJAA-LLVKDONJSA-N	-1	0	271.342	0.938	20	30		CCEDRM
COCCNC(=O)C(C#N)=C([O-])c1cc(C2CC2)n(C)n1	ZINC000744027552	581830296	/nfs/dbraw/zinc/83/02/96/581830296.db2.gz	YKQVNAICBDTITQ-SNVBAGLBSA-N	-1	0	290.323	0.383	20	30		CCEDRM
CNC(=O)C(C#N)=C([O-])c1cccc(C(=O)NC)c1	ZINC000744034504	581830533	/nfs/dbraw/zinc/83/05/33/581830533.db2.gz	DCCUBJUANWHSDJ-JTQLQIEISA-N	-1	0	259.265	0.115	20	30		CCEDRM
C=CCS(=O)(=O)[N-]C(=O)[C@H](C)OC[C@H]1CCCCO1	ZINC000772713354	581842773	/nfs/dbraw/zinc/84/27/73/581842773.db2.gz	NXLHUTDMKZHQKW-WDEREUQCSA-N	-1	0	291.369	0.593	20	30		CCEDRM
C=CCNC(=O)C(C#N)=C([O-])c1cncc(C(=O)OC)c1	ZINC000760183775	581848101	/nfs/dbraw/zinc/84/81/01/581848101.db2.gz	PYQFWFKGOIUTKF-NSHDSACASA-N	-1	0	287.275	0.493	20	30		CCEDRM
CC(C)(CNC(=O)[O-])NS(=O)(=O)c1cccc(C#N)c1	ZINC000738751989	581848181	/nfs/dbraw/zinc/84/81/81/581848181.db2.gz	HBMVCLNAIGPCFA-UHFFFAOYSA-N	-1	0	297.336	0.883	20	30		CCEDRM
C=CCS(=O)(=O)[N-]C(=O)[C@H]1CCC[C@@H](C(=O)OC)C1	ZINC000772711086	581884870	/nfs/dbraw/zinc/88/48/70/581884870.db2.gz	VKZYJTPNCZLDNC-VHSXEESVSA-N	-1	0	289.353	0.598	20	30		CCEDRM
C=CCS(=O)(=O)[N-]C(=O)[C@@H](C)c1c(C)nn(C)c1C	ZINC000772712546	581885344	/nfs/dbraw/zinc/88/53/44/581885344.db2.gz	DAXOQIDBJUEABV-QMMMGPOBSA-N	-1	0	285.369	0.772	20	30		CCEDRM
CC(C)OCCCNC(=O)C(C#N)=C([O-])c1cncnc1	ZINC000761099707	581887932	/nfs/dbraw/zinc/88/79/32/581887932.db2.gz	KPEDURRBDSXUJA-GFCCVEGCSA-N	-1	0	290.323	0.730	20	30		CCEDRM
CCOC(=O)C[C@H](O)C(=O)Nc1cc(C#N)ccc1[O-]	ZINC000774080442	581912930	/nfs/dbraw/zinc/91/29/30/581912930.db2.gz	GWQIDNDWLCMSHS-NSHDSACASA-N	-1	0	278.264	0.516	20	30		CCEDRM
CNC(=O)C(C#N)=C([O-])c1ccc(C(=O)OC)cc1F	ZINC000773981764	581950930	/nfs/dbraw/zinc/95/09/30/581950930.db2.gz	FLDATXHZCSBTOV-VIFPVBQESA-N	-1	0	278.239	0.681	20	30		CCEDRM
C=CCCO[C@H](C)C(=O)[N-]S(=O)(=O)C1CCC1	ZINC000774288413	581969151	/nfs/dbraw/zinc/96/91/51/581969151.db2.gz	MTLKNTUKNXUJQB-SECBINFHSA-N	-1	0	261.343	0.966	20	30		CCEDRM
N#CCc1ccc(C(=O)OCc2n[nH]c(=O)[n-]2)cc1	ZINC000774992712	582007641	/nfs/dbraw/zinc/00/76/41/582007641.db2.gz	UGSRDAJVTKGALS-UHFFFAOYSA-N	-1	0	258.237	0.933	20	30		CCEDRM
O=C([O-])c1ccc(C=NNc2ncnc3[nH]cnc32)[nH]1	ZINC000749814553	582023487	/nfs/dbraw/zinc/02/34/87/582023487.db2.gz	DYJDUHXHLOKCIH-UHFFFAOYSA-N	-1	0	271.240	0.825	20	30		CCEDRM
N#CCN1CCC(NC(=O)NCCCC(=O)[O-])CC1	ZINC000738425149	582045113	/nfs/dbraw/zinc/04/51/13/582045113.db2.gz	BLJXEYGGTKHHEO-UHFFFAOYSA-N	-1	0	268.317	0.138	20	30		CCEDRM
N#CCCCCS(=O)(=O)N1CCC[C@@H](NC(=O)[O-])C1	ZINC000738428089	582048230	/nfs/dbraw/zinc/04/82/30/582048230.db2.gz	JKDRMLOXAILANU-SNVBAGLBSA-N	-1	0	289.357	0.742	20	30		CCEDRM
N#Cc1ccc(N2CCC[C@@H]2C(=O)NCC(=O)[O-])cc1	ZINC000738432317	582048842	/nfs/dbraw/zinc/04/88/42/582048842.db2.gz	INGXDSQUPXMNQO-GFCCVEGCSA-N	-1	0	273.292	0.728	20	30		CCEDRM
N#Cc1ccccc1/C=C/C(=O)N1CCO[C@@H](C(=O)[O-])C1	ZINC000738434110	582049175	/nfs/dbraw/zinc/04/91/75/582049175.db2.gz	RXAHIDXYRFYUEK-URWSZGRFSA-N	-1	0	286.287	0.883	20	30		CCEDRM
Cc1cccnc1C(=O)[N-]S(=O)(=O)CCCC#N	ZINC000776119303	582052239	/nfs/dbraw/zinc/05/22/39/582052239.db2.gz	JVFGVHRSXFLCJS-UHFFFAOYSA-N	-1	0	267.310	0.753	20	30		CCEDRM
C#CCN1CCN(C(=O)[C@@H](CCC)NC(=O)[O-])CC1	ZINC000738459844	582053287	/nfs/dbraw/zinc/05/32/87/582053287.db2.gz	GFOCJHLKAVNYBG-LLVKDONJSA-N	-1	0	267.329	0.200	20	30		CCEDRM
CC(C)(C#N)CS(=O)(=O)[N-]C(=O)c1cscn1	ZINC000776135662	582053645	/nfs/dbraw/zinc/05/36/45/582053645.db2.gz	GOHHHDUGTYBBPB-UHFFFAOYSA-N	-1	0	273.339	0.752	20	30		CCEDRM
C#CCNC(=O)N(CCC)[C@@H]1CCN(C(=O)[O-])C1	ZINC000738462857	582053768	/nfs/dbraw/zinc/05/37/68/582053768.db2.gz	COIBMOULCFXJTN-SNVBAGLBSA-N	-1	0	253.302	0.794	20	30		CCEDRM
C#CCSCCNC(=O)[C@H]1CSCN1C(=O)[O-]	ZINC000738471317	582053894	/nfs/dbraw/zinc/05/38/94/582053894.db2.gz	YOLVTFXUQPFBGG-MRVPVSSYSA-N	-1	0	274.367	0.522	20	30		CCEDRM
C#CCNC(=O)COC(=O)[C@](C)(CCC)NC(=O)[O-]	ZINC000738462960	582053944	/nfs/dbraw/zinc/05/39/44/582053944.db2.gz	HNPMWNUAINELCT-LBPRGKRZSA-N	-1	0	270.285	0.105	20	30		CCEDRM
CCn1cc(C(=O)[N-]S(=O)(=O)CC(C)(C)C#N)cn1	ZINC000776142014	582054132	/nfs/dbraw/zinc/05/41/32/582054132.db2.gz	GFXSSAGUXJTJHD-UHFFFAOYSA-N	-1	0	284.341	0.512	20	30		CCEDRM
C#Cc1ccc(C(=O)N(C)[C@@H](C)CNC(=O)[O-])nc1	ZINC000738470050	582054400	/nfs/dbraw/zinc/05/44/00/582054400.db2.gz	MJEKFHZIRFZWNI-VIFPVBQESA-N	-1	0	261.281	0.791	20	30		CCEDRM
Cn1cc(C(=O)[N-]S(=O)(=O)CC(C)(C)C#N)cn1	ZINC000776144947	582054665	/nfs/dbraw/zinc/05/46/65/582054665.db2.gz	YDVMSSTXIWSCSA-UHFFFAOYSA-N	-1	0	270.314	0.029	20	30		CCEDRM
C=CCOCC(=O)N1CC[C@@H](NC(=O)[O-])[C@H](C)C1	ZINC000738490419	582055509	/nfs/dbraw/zinc/05/55/09/582055509.db2.gz	ARWPKQIUEQIHOM-NXEZZACHSA-N	-1	0	256.302	0.694	20	30		CCEDRM
C=CCOCC(=O)N[C@](C)(CNC(=O)[O-])C1CC1	ZINC000738491359	582056034	/nfs/dbraw/zinc/05/60/34/582056034.db2.gz	LFPFLSSVQFOKGD-GFCCVEGCSA-N	-1	0	256.302	0.742	20	30		CCEDRM
C=CCNC(=O)[C@H](C)N1C[C@@H](C)N(C(=O)[O-])[C@@H](C)C1	ZINC000738494770	582056176	/nfs/dbraw/zinc/05/61/76/582056176.db2.gz	DTXNZJCFXQHCBA-AXFHLTTASA-N	-1	0	269.345	0.750	20	30		CCEDRM
CC(C)(CCC(=O)N1CCO[C@@H](C#N)C1)NC(=O)[O-]	ZINC000738743917	582071198	/nfs/dbraw/zinc/07/11/98/582071198.db2.gz	PNOLENRMCVDAGF-VIFPVBQESA-N	-1	0	269.301	0.564	20	30		CCEDRM
CC(C)[C@@](C)(C#N)NC(=O)COC(=O)CN(C)C(=O)[O-]	ZINC000738762539	582074222	/nfs/dbraw/zinc/07/42/22/582074222.db2.gz	FTJLJKLJPFNONO-GFCCVEGCSA-N	-1	0	285.300	0.194	20	30		CCEDRM
CC[C@@H](CNS(=O)(=O)CC1(C#N)CC1)C(=O)[O-]	ZINC000776539792	582076392	/nfs/dbraw/zinc/07/63/92/582076392.db2.gz	XUXRRLITLLPAHI-QMMMGPOBSA-N	-1	0	260.315	0.320	20	30		CCEDRM
Cc1ncc(CO)c(/C=N\C[C@@H](C)C(=O)[O-])c1O	ZINC000738885715	582085657	/nfs/dbraw/zinc/08/56/57/582085657.db2.gz	TVVYWYNMBQIKID-UTNPRCHOSA-N	-1	0	252.270	0.728	20	30		CCEDRM
N#C[C@@H]1COCCN1Cn1ncc2cc(C(=O)[O-])ccc21	ZINC000739069566	582100478	/nfs/dbraw/zinc/10/04/78/582100478.db2.gz	SMBIVRQTGYEPPV-GFCCVEGCSA-N	-1	0	286.291	0.916	20	30		CCEDRM
N#CCN(CC(=O)[O-])C(=O)C1=NO[C@@H](c2ccccc2)C1	ZINC000739075582	582101281	/nfs/dbraw/zinc/10/12/81/582101281.db2.gz	IUQUSVLTKAXVGK-GFCCVEGCSA-N	-1	0	287.275	0.941	20	30		CCEDRM
N#CCN(CC(=O)[O-])C(=O)c1ccnc(Cl)c1	ZINC000739087317	582102120	/nfs/dbraw/zinc/10/21/20/582102120.db2.gz	KRFMHEPFODAQHT-UHFFFAOYSA-N	-1	0	253.645	0.785	20	30		CCEDRM
O=C([O-])Cn1cc(CN=Nc2nccnc2Cl)nn1	ZINC000768484230	582107280	/nfs/dbraw/zinc/10/72/80/582107280.db2.gz	FJOOHOSEXFWJAR-UHFFFAOYSA-N	-1	0	281.663	0.252	20	30		CCEDRM
O=C([O-])Cn1cc(C=NNCc2ccc(F)cc2F)nn1	ZINC000768481494	582107376	/nfs/dbraw/zinc/10/73/76/582107376.db2.gz	BHGMQQPYPRGJGB-UHFFFAOYSA-N	-1	0	295.249	0.765	20	30		CCEDRM
C=C(Br)CN1CCO[C@H](C(=O)[O-])C1	ZINC000043705031	613235374	/nfs/dbraw/zinc/23/53/74/613235374.db2.gz	NOGDFIFITBWZHS-ZETCQYMHSA-N	-1	0	250.092	0.680	20	30		CCEDRM
N#CCN1CCN(C(=O)C2(NC(=O)[O-])CCCC2)CC1	ZINC000831102735	603626097	/nfs/dbraw/zinc/62/60/97/603626097.db2.gz	SNRFSYAUDRMUMX-UHFFFAOYSA-N	-1	0	280.328	0.235	20	30		CCEDRM
C#CCCCNC(=O)Cc1cc(=O)n(CC(C)C)[n-]1	ZINC000933690052	612981318	/nfs/dbraw/zinc/98/13/18/612981318.db2.gz	GMKXBFMZIDQGDK-UHFFFAOYSA-N	-1	0	263.341	0.905	20	30		CCEDRM
CCCN(C)S(=O)(=O)[N-]C(=O)CC1(C#N)CC1	ZINC000815979470	614523869	/nfs/dbraw/zinc/52/38/69/614523869.db2.gz	DCUYQTMIVHDYIG-UHFFFAOYSA-N	-1	0	259.331	0.383	20	30		CCEDRM
C#CCCCNC(=O)N[C@@H](CC1CCOCC1)C(=O)[O-]	ZINC000909027979	612982021	/nfs/dbraw/zinc/98/20/21/612982021.db2.gz	QNSIEIDHVZWCAS-LBPRGKRZSA-N	-1	0	282.340	0.969	20	30		CCEDRM
CC[C@H](SC)C(=O)[N-]S(=O)(=O)CC1(C#N)CC1	ZINC000793196749	615867545	/nfs/dbraw/zinc/86/75/45/615867545.db2.gz	LZTCXRPCBXAKGL-QMMMGPOBSA-N	-1	0	276.383	0.878	20	30		CCEDRM
N#Cc1ccc(NC(=O)C(=O)N2CC[C@H](C(=O)[O-])C2)cc1	ZINC000819100292	597523712	/nfs/dbraw/zinc/52/37/12/597523712.db2.gz	DCIRXJHTHNYFBV-JTQLQIEISA-N	-1	0	287.275	0.430	20	30		CCEDRM
C[C@@](C#N)(CC(=O)[O-])C(=O)NCCNc1ccccn1	ZINC000819841911	597631240	/nfs/dbraw/zinc/63/12/40/597631240.db2.gz	GUMQUQQVBZCYKH-ZDUSSCGKSA-N	-1	0	276.296	0.614	20	30		CCEDRM
C[C@@](C#N)(CC(=O)[O-])C(=O)NC1CCC(C(N)=O)CC1	ZINC000819822655	597643995	/nfs/dbraw/zinc/64/39/95/597643995.db2.gz	PFGPHRZUXMMIPG-RPTIHFLNSA-N	-1	0	281.312	0.151	20	30		CCEDRM
C[C@@](C#N)(CC(=O)[O-])C(=O)NCc1nncn1C1CC1	ZINC000819846402	597644549	/nfs/dbraw/zinc/64/45/49/597644549.db2.gz	CIFUKRCAPHDMST-LBPRGKRZSA-N	-1	0	277.284	0.234	20	30		CCEDRM
C[C@@](C#N)(CC(=O)[O-])C(=O)N1CC(n2ccnc2)C1	ZINC000819810733	597646275	/nfs/dbraw/zinc/64/62/75/597646275.db2.gz	FZUTYZYCIMSHKK-LBPRGKRZSA-N	-1	0	262.269	0.271	20	30		CCEDRM
C[C@@](C#N)(CC(=O)[O-])C(=O)NCCOC[C@H]1CCCO1	ZINC000819841888	597646803	/nfs/dbraw/zinc/64/68/03/597646803.db2.gz	GLDVCVNKNQAQJG-MFKMUULPSA-N	-1	0	284.312	0.303	20	30		CCEDRM
Cc1nn(C)c(C)c1CN(C)C(=O)[C@@](C)(C#N)CC(=O)[O-]	ZINC000821202862	597648890	/nfs/dbraw/zinc/64/88/90/597648890.db2.gz	RXTLCMAEMIPYJB-CQSZACIVSA-N	-1	0	292.339	1.000	20	30		CCEDRM
C[C@H](O)C[C@H](C)CNC(=O)[C@@](C)(C#N)CC(=O)[O-]	ZINC000820161542	597651434	/nfs/dbraw/zinc/65/14/34/597651434.db2.gz	QPICPOPGDTVSEB-HOTUBEGUSA-N	-1	0	256.302	0.514	20	30		CCEDRM
O=C([O-])CCNN=Cc1cn(-c2ccccc2)nn1	ZINC000821524634	597739568	/nfs/dbraw/zinc/73/95/68/597739568.db2.gz	MNXHUQGGOVGDKD-UHFFFAOYSA-N	-1	0	259.269	0.666	20	30		CCEDRM
N#Cc1ccc(CN(CC(=O)NCC(=O)[O-])C2CC2)cc1	ZINC000821329690	597772457	/nfs/dbraw/zinc/77/24/57/597772457.db2.gz	FHPCKPQUNMSKHD-UHFFFAOYSA-N	-1	0	287.319	0.723	20	30		CCEDRM
C[C@@](C#N)(CC(=O)[O-])C(=O)NCC(=O)Nc1ccccc1	ZINC000819835537	598224421	/nfs/dbraw/zinc/22/44/21/598224421.db2.gz	WITUXXCPSUHDQN-AWEZNQCLSA-N	-1	0	289.291	0.746	20	30		CCEDRM
C[C@@](C#N)(CC(=O)[O-])C(=O)NCC(=O)Nc1cccnc1	ZINC000819833441	598225959	/nfs/dbraw/zinc/22/59/59/598225959.db2.gz	HAOWPAYDQNREQX-ZDUSSCGKSA-N	-1	0	290.279	0.141	20	30		CCEDRM
Cc1nc(COC(=O)[C@@](C)(C#N)CC(=O)[O-])no1	ZINC000821171574	598227393	/nfs/dbraw/zinc/22/73/93/598227393.db2.gz	ZGAJXRWAJACMRG-SNVBAGLBSA-N	-1	0	253.214	0.426	20	30		CCEDRM
C[C@H](CO[C@@H]1CCOC1)NC(=O)[C@@](C)(C#N)CC(=O)[O-]	ZINC000820101722	598230014	/nfs/dbraw/zinc/23/00/14/598230014.db2.gz	CANJUFQWKRSSKL-GIPNMCIBSA-N	-1	0	284.312	0.301	20	30		CCEDRM
C#CCO[C@@H](C)C(=O)N[C@]1(C(=O)[O-])CCSC1	ZINC000909357597	612997512	/nfs/dbraw/zinc/99/75/12/612997512.db2.gz	OBTSRTRTROYGAU-GZMMTYOYSA-N	-1	0	257.311	0.101	20	30		CCEDRM
C#CCO[C@H](C)C(=O)N1CCC2(C[C@H]2C(=O)[O-])CC1	ZINC000908656814	612999293	/nfs/dbraw/zinc/99/92/93/612999293.db2.gz	ASARCUICOCLTBO-MNOVXSKESA-N	-1	0	265.309	0.738	20	30		CCEDRM
C#CCO[C@H](C)C(=O)N1C[C@@H]2CCC[C@H]2[C@@H]1C(=O)[O-]	ZINC000909675948	613000612	/nfs/dbraw/zinc/00/06/12/613000612.db2.gz	AHGVFRLOWORXPS-WRWGMCAJSA-N	-1	0	265.309	0.736	20	30		CCEDRM
C#CCO[C@H](C)C(=O)N1C[C@@H](OC)C[C@]1(C)C(=O)[O-]	ZINC000910268456	613000720	/nfs/dbraw/zinc/00/07/20/613000720.db2.gz	WMAVHXCQUZHHPL-GBIKHYSHSA-N	-1	0	269.297	0.115	20	30		CCEDRM
C#CCNC(=O)N(C)CC[C@H](NC(=O)[O-])C(C)C	ZINC000823456100	612946193	/nfs/dbraw/zinc/94/61/93/612946193.db2.gz	JYDVRZTYDWBNMT-JTQLQIEISA-N	-1	0	255.318	0.943	20	30		CCEDRM
N#CCCCCS(=O)(=O)N1CCC[C@H]1C(=O)[O-]	ZINC000261771882	600081461	/nfs/dbraw/zinc/08/14/61/600081461.db2.gz	ZFLFIISLMJFPHB-VIFPVBQESA-N	-1	0	260.315	0.559	20	30		CCEDRM
C[C@](NS(=O)(=O)c1ccc(C#N)nc1)(C(=O)[O-])C1CC1	ZINC000228697137	600238480	/nfs/dbraw/zinc/23/84/80/600238480.db2.gz	LGRHKZSVYMQCPY-GFCCVEGCSA-N	-1	0	295.320	0.485	20	30		CCEDRM
N#Cc1cc(C(=O)[O-])cn(CCOC[C@H]2CCCO2)c1=O	ZINC000833068557	600836389	/nfs/dbraw/zinc/83/63/89/600836389.db2.gz	BVANYBTVCZATIW-GFCCVEGCSA-N	-1	0	292.291	0.614	20	30		CCEDRM
C[C@H](C#N)CNS(=O)(=O)Cc1cccc(C(=O)[O-])c1	ZINC000054156516	600989595	/nfs/dbraw/zinc/98/95/95/600989595.db2.gz	HJQDPBCNVVWRHP-SECBINFHSA-N	-1	0	282.321	0.964	20	30		CCEDRM
N#CCN(CCCS(=O)(=O)c1ccccc1)CC(=O)[O-]	ZINC000833066728	601004051	/nfs/dbraw/zinc/00/40/51/601004051.db2.gz	GONHLFCDXOLCKA-UHFFFAOYSA-N	-1	0	296.348	0.761	20	30		CCEDRM
Cc1ccc(CNC(=O)CN(CC#N)CC(=O)[O-])cc1F	ZINC000832931557	601004195	/nfs/dbraw/zinc/00/41/95/601004195.db2.gz	BPYHEAFQZQSEGE-UHFFFAOYSA-N	-1	0	293.298	0.661	20	30		CCEDRM
N#CCN(CCC(=O)Nc1ccc(C#N)cc1)CC(=O)[O-]	ZINC000833066840	601004472	/nfs/dbraw/zinc/00/44/72/601004472.db2.gz	JAZDGPJMNYIZOT-UHFFFAOYSA-N	-1	0	286.291	0.797	20	30		CCEDRM
N#CCN(CC(=O)[O-])CC(=O)Nc1cccnc1Cl	ZINC000833067416	601007326	/nfs/dbraw/zinc/00/73/26/601007326.db2.gz	STGQNXOGHYBYDX-UHFFFAOYSA-N	-1	0	282.687	0.584	20	30		CCEDRM
C#CCSCC(=O)[N-]S(=O)(=O)C1(Cl)CC1	ZINC000893234134	613013042	/nfs/dbraw/zinc/01/30/42/613013042.db2.gz	XXBNOBSXFKFJPZ-UHFFFAOYSA-N	-1	0	267.759	0.528	20	30		CCEDRM
C[C@@H](OC(=O)C1(C#N)CCCCC1)C(=O)NCC(=O)[O-]	ZINC000827810722	601118824	/nfs/dbraw/zinc/11/88/24/601118824.db2.gz	OYXHQHROUGQGCI-SECBINFHSA-N	-1	0	282.296	0.593	20	30		CCEDRM
CS(=O)(=O)NN=Cc1cccc(C(=O)[O-])c1Cl	ZINC000814873258	617176711	/nfs/dbraw/zinc/17/67/11/617176711.db2.gz	SZUOIGPSRXLCBN-UHFFFAOYSA-N	-1	0	276.701	0.921	20	30		CCEDRM
C[C@H]1CCCN1C(=O)CCN(CC#N)CC(=O)[O-]	ZINC000828271656	601226645	/nfs/dbraw/zinc/22/66/45/601226645.db2.gz	JIYWJSSQMZUIMK-JTQLQIEISA-N	-1	0	253.302	0.298	20	30		CCEDRM
C#CCCNS(=O)(=O)c1cc(C(=O)[O-])ccc1OC	ZINC000070246294	601243890	/nfs/dbraw/zinc/24/38/90/601243890.db2.gz	ZCNYRKBMHTZPCZ-UHFFFAOYSA-N	-1	0	283.305	0.695	20	30		CCEDRM
N#Cc1c[nH]c(C(=O)NCCSCCC(=O)[O-])c1	ZINC000833068052	601438249	/nfs/dbraw/zinc/43/82/49/601438249.db2.gz	LZHATSOMUIANRS-UHFFFAOYSA-N	-1	0	267.310	0.824	20	30		CCEDRM
N#CCN1CCC(CNC(=O)[C@@H]2C[C@@H]2C(=O)[O-])CC1	ZINC000833067482	601439173	/nfs/dbraw/zinc/43/91/73/601439173.db2.gz	VSTBKZYIJUIFOL-MNOVXSKESA-N	-1	0	265.313	0.059	20	30		CCEDRM
N#CC1(NC(=O)CN2CC[C@](F)(C(=O)[O-])C2)CCCCC1	ZINC000833064951	601444473	/nfs/dbraw/zinc/44/44/73/601444473.db2.gz	PHFNXUVGVBHDCP-CQSZACIVSA-N	-1	0	297.330	0.828	20	30		CCEDRM
N#C[C@H]1CCC[C@@H]1NS(=O)(=O)CCCC(=O)[O-]	ZINC000061890076	601476672	/nfs/dbraw/zinc/47/66/72/601476672.db2.gz	YQPIMCOPJSVNRS-BDAKNGLRSA-N	-1	0	260.315	0.463	20	30		CCEDRM
N#C[C@@H]1CCC[C@@H]1NS(=O)(=O)CC1(CC(=O)[O-])CC1	ZINC000833063177	601520693	/nfs/dbraw/zinc/52/06/93/601520693.db2.gz	TXSZCIRKKUWDHM-UWVGGRQHSA-N	-1	0	286.353	0.853	20	30		CCEDRM
Cn1cc(C#N)cc1C(=O)N1CCCC[C@@H]1C(=O)[O-]	ZINC000821278144	601630266	/nfs/dbraw/zinc/63/02/66/601630266.db2.gz	ZRCUDQFIJUGXAQ-SNVBAGLBSA-N	-1	0	261.281	0.976	20	30		CCEDRM
N#CC1(C(=O)N2CCO[C@@H](CC(=O)[O-])C2)CCC1	ZINC000833064324	601666059	/nfs/dbraw/zinc/66/60/59/601666059.db2.gz	HMQLDKYTIPCBMX-VIFPVBQESA-N	-1	0	252.270	0.382	20	30		CCEDRM
CCN(C[C@H](C)C#N)S(=O)(=O)C[C@H](C)C(=O)[O-]	ZINC000829642886	601781527	/nfs/dbraw/zinc/78/15/27/601781527.db2.gz	PCKWDOVKMQVVEJ-BDAKNGLRSA-N	-1	0	262.331	0.518	20	30		CCEDRM
C[C@@H](CC(=O)[O-])C(=O)NCCNc1ncccc1C#N	ZINC000827289844	602121707	/nfs/dbraw/zinc/12/17/07/602121707.db2.gz	BJSJWRCICZKPAX-VIFPVBQESA-N	-1	0	276.296	0.592	20	30		CCEDRM
CC(C)[C@@](C)(C#N)NC(=O)[C@H](C)OC(=O)CN(C)C(=O)[O-]	ZINC000739040593	602206622	/nfs/dbraw/zinc/20/66/22/602206622.db2.gz	CRQRVEQVAAGGFB-TVQRCGJNSA-N	-1	0	299.327	0.582	20	30		CCEDRM
N#Cc1cc(CN2CCOC[C@@H]2C(=O)[O-])ccc1F	ZINC000236434622	602237667	/nfs/dbraw/zinc/23/76/67/602237667.db2.gz	MWJCQMNRZNKWIH-GFCCVEGCSA-N	-1	0	264.256	0.983	20	30		CCEDRM
COc1cc(C=NNCC(=O)[O-])cc(OC)c1O	ZINC000814958985	617179330	/nfs/dbraw/zinc/17/93/30/617179330.db2.gz	DWGFRAYZUBYWFP-UHFFFAOYSA-N	-1	0	254.242	0.418	20	30		CCEDRM
C#CC1(NC(=O)[C@@H](C)O[C@@H](C)C(=O)[O-])CCCC1	ZINC000887316196	612950225	/nfs/dbraw/zinc/95/02/25/612950225.db2.gz	LUOXMZJGMOELCT-ZJUUUORDSA-N	-1	0	253.298	0.927	20	30		CCEDRM
COc1cc(C=NNc2ncn[nH]2)cc([N+](=O)[O-])c1[O-]	ZINC000807997951	617179546	/nfs/dbraw/zinc/17/95/46/617179546.db2.gz	JNHBJHIPJLGWGB-UHFFFAOYSA-N	-1	0	278.228	0.873	20	30		CCEDRM
N#C[C@H](NC(=O)C[C@@H]1CCCN1C(=O)[O-])C1CC1	ZINC000831070884	602895520	/nfs/dbraw/zinc/89/55/20/602895520.db2.gz	UKCQRWCTMMOOHS-UWVGGRQHSA-N	-1	0	251.286	0.937	20	30		CCEDRM
N#CCSCC(=O)N1CCC[C@H]1CNC(=O)[O-]	ZINC000831109714	603102035	/nfs/dbraw/zinc/10/20/35/603102035.db2.gz	RISQBIPROPDJSW-QMMMGPOBSA-N	-1	0	257.315	0.502	20	30		CCEDRM
N#CCCN1C(=O)N[C@@]2(CCCC[C@@H]2CNC(=O)[O-])C1=O	ZINC000831097877	603405830	/nfs/dbraw/zinc/40/58/30/603405830.db2.gz	XEFYMRBBXHRHCQ-NOZJJQNGSA-N	-1	0	294.311	0.648	20	30		CCEDRM
COc1ncccc1C(=O)N1CCN(C(=O)[O-])C[C@H]1C#N	ZINC000829663307	603595850	/nfs/dbraw/zinc/59/58/50/603595850.db2.gz	CFOWGEILBCVHTH-SECBINFHSA-N	-1	0	290.279	0.418	20	30		CCEDRM
Cn1ccnc(N=NCC2CCN(C(=O)[O-])CC2)c1=O	ZINC000831030712	603860364	/nfs/dbraw/zinc/86/03/64/603860364.db2.gz	FKFVZGVJXBNDMU-UHFFFAOYSA-N	-1	0	279.300	0.568	20	30		CCEDRM
C[C@@H](NC(=O)C(C)(C)C#N)C1(C(=O)[O-])CCOCC1	ZINC000907920215	617182711	/nfs/dbraw/zinc/18/27/11/617182711.db2.gz	ZOYQSPSFVMWNNY-SECBINFHSA-N	-1	0	268.313	0.922	20	30		CCEDRM
Cc1ccc(C(=O)OCC(=O)NCC#N)cc1NC(=O)[O-]	ZINC000830239116	603955555	/nfs/dbraw/zinc/95/55/55/603955555.db2.gz	XRXYFWXSXDDLBA-UHFFFAOYSA-N	-1	0	291.263	0.882	20	30		CCEDRM
N#CC1(NC(=O)[C@H]2CC[C@@H](NC(=O)[O-])C2)CCC1	ZINC000831071013	603960024	/nfs/dbraw/zinc/96/00/24/603960024.db2.gz	WVIKEZYTZIEMLH-DTWKUNHWSA-N	-1	0	251.286	0.985	20	30		CCEDRM
Cc1c[nH]cc1C(=O)N1CCN(C(=O)[O-])C[C@H]1C#N	ZINC000829889660	604069177	/nfs/dbraw/zinc/06/91/77/604069177.db2.gz	UBGIBRLYAIYCLT-SECBINFHSA-N	-1	0	262.269	0.651	20	30		CCEDRM
Cc1cc(C)n(CC(=O)N2CCN(C(=O)[O-])C[C@H]2C#N)n1	ZINC000830018070	604069296	/nfs/dbraw/zinc/06/92/96/604069296.db2.gz	UIPLVGNOGIDRIP-LLVKDONJSA-N	-1	0	291.311	0.214	20	30		CCEDRM
N#C[C@H]1CN(C(=O)[O-])CCN1C(=O)c1c[nH]c2ncccc12	ZINC000831087525	604073577	/nfs/dbraw/zinc/07/35/77/604073577.db2.gz	MRQOQCZOZKFWIU-VIFPVBQESA-N	-1	0	299.290	0.891	20	30		CCEDRM
Cc1cc(=O)c(C(=O)N2CCN(C(=O)[O-])C[C@@H]2C#N)c[nH]1	ZINC000829899498	604074503	/nfs/dbraw/zinc/07/45/03/604074503.db2.gz	GZHQSFAMZFZTOO-VIFPVBQESA-N	-1	0	290.279	0.011	20	30		CCEDRM
N#C[C@@H]1CN(C(=O)[O-])CCN1C(=O)[C@H]1[C@@H]2CCC[C@@H]21	ZINC000831077044	604083222	/nfs/dbraw/zinc/08/32/22/604083222.db2.gz	VWLIFZCYQBXISA-ZNSHCXBVSA-N	-1	0	263.297	0.747	20	30		CCEDRM
C[C@@H](CN(C)C(=O)[O-])C(=O)[C@H](C#N)C(=O)N1CCCC1	ZINC000824825093	604251513	/nfs/dbraw/zinc/25/15/13/604251513.db2.gz	QHCSTSCXTFXQLH-UWVGGRQHSA-N	-1	0	281.312	0.564	20	30		CCEDRM
N#C[C@@H]1CN(C(=O)[O-])CCN1C(=O)c1cncc(F)c1	ZINC000831092166	604308304	/nfs/dbraw/zinc/30/83/04/604308304.db2.gz	QMWCKMNIGAUTKU-SNVBAGLBSA-N	-1	0	278.243	0.549	20	30		CCEDRM
C#CCN1CCN(C(=O)c2c(C)[nH]c(C(=O)[O-])c2C)CC1	ZINC000383610286	604315547	/nfs/dbraw/zinc/31/55/47/604315547.db2.gz	AFPXCDRZISTYEG-UHFFFAOYSA-N	-1	0	289.335	0.721	20	30		CCEDRM
N#Cc1cccc(CNC(=O)C2(NC(=O)[O-])CC2)c1	ZINC000831146093	604426262	/nfs/dbraw/zinc/42/62/62/604426262.db2.gz	ILQZKRWIHZFRDO-UHFFFAOYSA-N	-1	0	259.265	0.975	20	30		CCEDRM
C[C@@H](NC(=O)[O-])[C@H]1CN(C(=O)c2cc(C#N)c[nH]2)CCO1	ZINC000825325064	604448026	/nfs/dbraw/zinc/44/80/26/604448026.db2.gz	ISYKEOVEASYECR-LDYMZIIASA-N	-1	0	292.295	0.383	20	30		CCEDRM
C[C@@H](NC(=O)[O-])[C@@H]1CN(c2ccc(C#N)nc2)CCO1	ZINC000825372717	604453138	/nfs/dbraw/zinc/45/31/38/604453138.db2.gz	QLHBOBTXHFJCHL-SKDRFNHKSA-N	-1	0	276.296	0.815	20	30		CCEDRM
N#C[C@H]1CN(CC(=O)Nc2cccc(C(=O)[O-])c2)CCO1	ZINC000833063299	604762557	/nfs/dbraw/zinc/76/25/57/604762557.db2.gz	VRKMCQLRRXKJCR-LBPRGKRZSA-N	-1	0	289.291	0.548	20	30		CCEDRM
N#C[C@H]1CN(CC(=O)Nc2ccc(C(=O)[O-])cc2)CCO1	ZINC000833062943	604762564	/nfs/dbraw/zinc/76/25/64/604762564.db2.gz	RJEZIGKLXYRIBV-LBPRGKRZSA-N	-1	0	289.291	0.548	20	30		CCEDRM
C#CCNC(=S)NCc1ccc(-c2nn[nH]n2)cc1F	ZINC000823849999	612953636	/nfs/dbraw/zinc/95/36/36/612953636.db2.gz	GJQVSFDIYIVHSD-UHFFFAOYSA-N	-1	0	290.327	0.603	20	30		CCEDRM
C=CCN(CC(=O)N1CCC(C(=O)[O-])CC1)C1CC1	ZINC000382488390	604971347	/nfs/dbraw/zinc/97/13/47/604971347.db2.gz	XZEAOPQMIFXMPE-UHFFFAOYSA-N	-1	0	266.341	0.960	20	30		CCEDRM
N#C[C@@H](OC(=O)[C@H]1CN(C(=O)[O-])CCO1)C1CC1	ZINC000831070997	605085154	/nfs/dbraw/zinc/08/51/54/605085154.db2.gz	WPBFOPWRXSSSNB-RKDXNWHRSA-N	-1	0	254.242	0.211	20	30		CCEDRM
N#CCN1CCC(OC(=O)[C@H]2CCCN2C(=O)[O-])CC1	ZINC000831102728	605266437	/nfs/dbraw/zinc/26/64/37/605266437.db2.gz	SFBQHUXGOGKBMK-LLVKDONJSA-N	-1	0	281.312	0.660	20	30		CCEDRM
C[C@H](CC#N)NC(=O)CO[C@@H]1CCCN(C(=O)[O-])C1	ZINC000824545311	605283390	/nfs/dbraw/zinc/28/33/90/605283390.db2.gz	WCGRVAWHSSOKDV-NXEZZACHSA-N	-1	0	269.301	0.564	20	30		CCEDRM
N#Cc1cc(C(=O)NCC2(NC(=O)[O-])CCC2)c[nH]1	ZINC000833970048	605306611	/nfs/dbraw/zinc/30/66/11/605306611.db2.gz	HWOKOWMFDIRTQW-UHFFFAOYSA-N	-1	0	262.269	0.806	20	30		CCEDRM
N#C[C@H]1CCC[C@@H]1NC(=O)CCOC1CN(C(=O)[O-])C1	ZINC000833963912	605308903	/nfs/dbraw/zinc/30/89/03/605308903.db2.gz	WJPOPENHCXNYHD-KOLCDFICSA-N	-1	0	281.312	0.564	20	30		CCEDRM
N#CCCCNC(=O)CCOC1CN(C(=O)[O-])C1	ZINC000833968903	605350477	/nfs/dbraw/zinc/35/04/77/605350477.db2.gz	OYSDRJGXIXDHGL-UHFFFAOYSA-N	-1	0	255.274	0.175	20	30		CCEDRM
C[C@@H](C#N)CNC(=O)CO[C@H]1CCCN(C(=O)[O-])C1	ZINC000823646860	605369711	/nfs/dbraw/zinc/36/97/11/605369711.db2.gz	HGVNGZYRLXXLMV-UWVGGRQHSA-N	-1	0	269.301	0.421	20	30		CCEDRM
N#C[C@@H](C(=O)CC[C@H]1CCN(C(=O)[O-])C1)C(=O)NC1CC1	ZINC000833959596	605487554	/nfs/dbraw/zinc/48/75/54/605487554.db2.gz	APHFIKWJAZKWII-ONGXEEELSA-N	-1	0	293.323	0.754	20	30		CCEDRM
N#Cc1ccc(CNC(=O)C2CN(C(=O)[O-])C2)cc1	ZINC000833971835	605515824	/nfs/dbraw/zinc/51/58/24/605515824.db2.gz	PIRNAVKIBFRSIG-UHFFFAOYSA-N	-1	0	259.265	0.784	20	30		CCEDRM
N#C[C@H]1CN(CCC2CCN(C(=O)[O-])CC2)CCO1	ZINC000833968699	605590561	/nfs/dbraw/zinc/59/05/61/605590561.db2.gz	XLRZWENWIAYDMZ-LBPRGKRZSA-N	-1	0	267.329	0.991	20	30		CCEDRM
N#C[C@@H]1CN(C(=O)[O-])CCN1C(=O)c1cc(F)ccc1O	ZINC000833968120	605655020	/nfs/dbraw/zinc/65/50/20/605655020.db2.gz	UMCLPCUOEVOQLT-SECBINFHSA-N	-1	0	293.254	0.859	20	30		CCEDRM
C[C@@H](C#N)NC(=O)CO[C@H]1CCCN(C(=O)[O-])C1	ZINC000823647134	605668963	/nfs/dbraw/zinc/66/89/63/605668963.db2.gz	JDHKEVBTRXUSQY-IUCAKERBSA-N	-1	0	255.274	0.174	20	30		CCEDRM
N#C[C@@H](NC(=O)CO[C@@H]1CCCN(C(=O)[O-])C1)C1CC1	ZINC000831070331	605712485	/nfs/dbraw/zinc/71/24/85/605712485.db2.gz	JIARKWJYRSIBSH-GHMZBOCLSA-N	-1	0	281.312	0.564	20	30		CCEDRM
Cc1nscc1C(=O)N1CCN(C(=O)[O-])C[C@@H]1C#N	ZINC000833937448	605871589	/nfs/dbraw/zinc/87/15/89/605871589.db2.gz	WTVBVFNHGZUYSQ-QMMMGPOBSA-N	-1	0	280.309	0.780	20	30		CCEDRM
N#C[C@@H](C(=O)CCCCNC(=O)[O-])C(=O)N1CCCC1	ZINC000833962046	605909347	/nfs/dbraw/zinc/90/93/47/605909347.db2.gz	XCTLXNUUDDNDRU-JTQLQIEISA-N	-1	0	281.312	0.756	20	30		CCEDRM
N#CCC1CCN(C(=O)NCCNC(=O)[O-])CC1	ZINC000833967531	605909399	/nfs/dbraw/zinc/90/93/99/605909399.db2.gz	FRYFROXIRULJDM-UHFFFAOYSA-N	-1	0	254.290	0.589	20	30		CCEDRM
N#CC1(NC(=O)[C@H]2CCN(C(=O)[O-])C2)CCSCC1	ZINC000833964128	606073061	/nfs/dbraw/zinc/07/30/61/606073061.db2.gz	ZUSHESHIJFYSHN-VIFPVBQESA-N	-1	0	283.353	0.892	20	30		CCEDRM
N#C[C@@]1(NC(=O)CCOC2CN(C(=O)[O-])C2)CCSC1	ZINC000833964100	606098681	/nfs/dbraw/zinc/09/86/81/606098681.db2.gz	ZGKQPZYGFXHYRT-LBPRGKRZSA-N	-1	0	299.352	0.271	20	30		CCEDRM
C#CCCS(=O)(=O)[N-]C(=O)Cc1cccc(COC)c1	ZINC000810780376	613052892	/nfs/dbraw/zinc/05/28/92/613052892.db2.gz	AQYDLONRPGRKBK-UHFFFAOYSA-N	-1	0	295.360	0.845	20	30		CCEDRM
C#CCCS(=O)(=O)[N-]C(=O)C1CCC(OC)CC1	ZINC000810784473	613052716	/nfs/dbraw/zinc/05/27/16/613052716.db2.gz	HCUDMIGYHAFEEM-UHFFFAOYSA-N	-1	0	273.354	0.661	20	30		CCEDRM
C#CCNS(=O)(=O)c1cccc(C(=O)[O-])c1C	ZINC000113456827	612957053	/nfs/dbraw/zinc/95/70/53/612957053.db2.gz	BKOJZYICUJNHGL-UHFFFAOYSA-N	-1	0	253.279	0.605	20	30		CCEDRM
C#C[C@@H](C)NC(=O)N1CCC(c2n[nH]c(=O)[n-]2)CC1	ZINC000923215598	613080520	/nfs/dbraw/zinc/08/05/20/613080520.db2.gz	KPVJMNPKVYCXER-MRVPVSSYSA-N	-1	0	263.301	0.421	20	30		CCEDRM
C#CCN(CC#C)CC(=O)N[C@H](CC(C)C)C(=O)[O-]	ZINC000825608752	613099083	/nfs/dbraw/zinc/09/90/83/613099083.db2.gz	ITSLWLXUKNOPGK-GFCCVEGCSA-N	-1	0	264.325	0.170	20	30		CCEDRM
C#C[C@H]1CC[C@H](NC(=O)NCC(=O)[N-]OC)CC1	ZINC000923990473	613107942	/nfs/dbraw/zinc/10/79/42/613107942.db2.gz	OSFKAVYNPKVMPD-MGCOHNPYSA-N	-1	0	253.302	0.155	20	30		CCEDRM
C=C(Cl)CNS(=O)(=O)c1csnc1C(=O)[O-]	ZINC000833370749	613383998	/nfs/dbraw/zinc/38/39/98/613383998.db2.gz	RBAMUVDUARVMKK-UHFFFAOYSA-N	-1	0	282.730	0.872	20	30		CCEDRM
C=C(Cl)C[C@H](NC(=O)CCOCCOC)C(=O)[O-]	ZINC000864185027	613390487	/nfs/dbraw/zinc/39/04/87/613390487.db2.gz	VFNFUIDDDZIEBU-VIFPVBQESA-N	-1	0	279.720	0.752	20	30		CCEDRM
C=C[C@@H](O)C(=O)N1CCC[C@H](C(C)(C)C(=O)[O-])C1	ZINC000909494940	613449847	/nfs/dbraw/zinc/44/98/47/613449847.db2.gz	IPHIJNVLAYHAJC-VHSXEESVSA-N	-1	0	255.314	0.883	20	30		CCEDRM
C=CCOC[C@H](NC(=O)C1=CCOCC1)C(=O)[O-]	ZINC000909766359	613882267	/nfs/dbraw/zinc/88/22/67/613882267.db2.gz	HQDPCTVQAFTBPA-JTQLQIEISA-N	-1	0	255.270	0.105	20	30		CCEDRM
CC(C)(C)[S@](C)(=O)=NS(=O)(=O)[N-]CC#N	ZINC000906061226	614045920	/nfs/dbraw/zinc/04/59/20/614045920.db2.gz	OZIFOXCHXGVQAE-AWEZNQCLSA-N	-1	0	253.349	0.241	20	30		CCEDRM
CC(C)CS(=O)(=O)N1CCN(C(=O)[O-])C[C@H]1C#N	ZINC000824282697	614177594	/nfs/dbraw/zinc/17/75/94/614177594.db2.gz	FXHOJYGXAAZASE-SECBINFHSA-N	-1	0	275.330	0.160	20	30		CCEDRM
C#CCOCCC(=O)N(CC(=O)[O-])c1cccc(C)n1	ZINC000833364904	612977362	/nfs/dbraw/zinc/97/73/62/612977362.db2.gz	ZITFVISPYXLXRZ-UHFFFAOYSA-N	-1	0	276.292	0.848	20	30		CCEDRM
COc1ccc(C(=O)N2CCN(C(=O)[O-])C[C@H]2C#N)cn1	ZINC000829277502	617223997	/nfs/dbraw/zinc/22/39/97/617223997.db2.gz	SVAQBKRSUWCIGB-SNVBAGLBSA-N	-1	0	290.279	0.418	20	30		CCEDRM
CC1CCN(C(=O)COC(=O)[C@@](C)(C#N)CC(=O)[O-])CC1	ZINC000820238205	614429717	/nfs/dbraw/zinc/42/97/17/614429717.db2.gz	LCVIFZIELVSOLP-CQSZACIVSA-N	-1	0	296.323	0.793	20	30		CCEDRM
CSCC[C@H](NC(=O)C#CC1CC1)c1nnn[n-]1	ZINC000912863280	617244426	/nfs/dbraw/zinc/24/44/26/617244426.db2.gz	RPZNXBVXEMTLOP-VIFPVBQESA-N	-1	0	265.342	0.524	20	30		CCEDRM
CS[C@@H]1CCC1N=Nc1nc2[nH][nH]cc-2c(=O)n1	ZINC000819807674	617266765	/nfs/dbraw/zinc/26/67/65/617266765.db2.gz	JODLMXGRRJWBJB-SSDOTTSWSA-N	-1	0	264.314	0.725	20	30		CCEDRM
CSc1cccc(C(=O)[N-]S(=O)(=O)CCC#N)n1	ZINC000842792225	617280911	/nfs/dbraw/zinc/28/09/11/617280911.db2.gz	AZZAYOOZDSPIDX-UHFFFAOYSA-N	-1	0	285.350	0.777	20	30		CCEDRM
COc1ccc(S(=O)(=O)[N-]C(=O)CCCCC#N)cn1	ZINC000847694352	617277664	/nfs/dbraw/zinc/27/76/64/617277664.db2.gz	JSVDXNHOJQJJNS-UHFFFAOYSA-N	-1	0	297.336	0.979	20	30		CCEDRM
C#CC(=O)N1CC[C@H](C)[C@H]([N-]C(=O)C(F)(F)F)[C@@H]1C	ZINC000813635322	612945526	/nfs/dbraw/zinc/94/55/26/612945526.db2.gz	PLSWDFZPVWBBSD-NRPADANISA-N	-1	0	276.258	0.924	20	30		CCEDRM
C#CCNC(=O)[C@H](C)OC(=O)c1ccc(C(=O)[O-])c(F)c1	ZINC000825619324	612951700	/nfs/dbraw/zinc/95/17/00/612951700.db2.gz	KKVCZPCREGLLIX-QMMMGPOBSA-N	-1	0	293.250	0.819	20	30		CCEDRM
C#CCC(C)(C)C(=O)N1CCC(c2nnn[n-]2)CC1	ZINC000913744294	612965475	/nfs/dbraw/zinc/96/54/75/612965475.db2.gz	IPKISSYXUXNYRD-UHFFFAOYSA-N	-1	0	261.329	0.955	20	30		CCEDRM
C#CCC1([N-]S(=O)(=O)c2cc(C(=O)OC)no2)CCC1	ZINC000922045102	612971302	/nfs/dbraw/zinc/97/13/02/612971302.db2.gz	XELKTNFFTNLJNL-UHFFFAOYSA-N	-1	0	298.320	0.686	20	30		CCEDRM
C#CCCCCNC(=O)N1CCO[C@@H]([C@@H](C)NC(=O)[O-])C1	ZINC000823440881	612977677	/nfs/dbraw/zinc/97/76/77/612977677.db2.gz	LNULEJRHLVHCIC-VXGBXAGGSA-N	-1	0	297.355	0.856	20	30		CCEDRM
C#CCCCCNC(=O)[C@@]1(F)CCN(C(=O)[O-])C1	ZINC000823440749	612978130	/nfs/dbraw/zinc/97/81/30/612978130.db2.gz	HFQKAFNLWRIFTL-GFCCVEGCSA-N	-1	0	256.277	0.998	20	30		CCEDRM
C#CCOCCC(=O)[N-]S(=O)(=O)Cc1ccc(C)cc1	ZINC000809065157	612980138	/nfs/dbraw/zinc/98/01/38/612980138.db2.gz	XKRFQEYLJNHZKA-UHFFFAOYSA-N	-1	0	295.360	0.981	20	30		CCEDRM
C#CCOCCC(=O)N[C@@H](C(=O)[O-])c1cccc(O)c1	ZINC000833364157	612980214	/nfs/dbraw/zinc/98/02/14/612980214.db2.gz	KLWVWCGPXRSWPA-CYBMUJFWSA-N	-1	0	277.276	0.674	20	30		CCEDRM
C#CCCN(CC(F)(F)F)C(=O)CCCc1nnn[n-]1	ZINC000821996709	612986192	/nfs/dbraw/zinc/98/61/92/612986192.db2.gz	JBZVXKNRPVCENO-UHFFFAOYSA-N	-1	0	289.261	0.937	20	30		CCEDRM
C#CCOCCNC(=O)c1ccc(OCC(=O)[O-])cc1	ZINC000833366497	612989147	/nfs/dbraw/zinc/98/91/47/612989147.db2.gz	ZPXGGXUQGGTXCT-UHFFFAOYSA-N	-1	0	277.276	0.530	20	30		CCEDRM
C#CCO[N-]C(=O)[C@H](C(C)C)[N@H+]1C[C@@H](C)O[C@@H](C)C1	ZINC000812782247	612992864	/nfs/dbraw/zinc/99/28/64/612992864.db2.gz	TXMKFPYUHLGBLN-XQQFMLRXSA-N	-1	0	268.357	0.801	20	30		CCEDRM
C#CCO[N-]C(=O)[C@H](O)[C@@H](C)c1ccccc1F	ZINC000869254531	612993119	/nfs/dbraw/zinc/99/31/19/612993119.db2.gz	QNOCSHFBPVIVKJ-JOYOIKCWSA-N	-1	0	251.257	0.971	20	30		CCEDRM
C#CCO[C@@H](C)C(=O)NC[C@@]1(C(=O)[O-])CCCOC1	ZINC000910306842	612996469	/nfs/dbraw/zinc/99/64/69/612996469.db2.gz	KFBGRIMDQKVSPD-GWCFXTLKSA-N	-1	0	269.297	0.022	20	30		CCEDRM
C#CCO[C@H](C)C(=O)[N-]S(=O)(=O)Cc1cccc(C)c1	ZINC000835324425	613002086	/nfs/dbraw/zinc/00/20/86/613002086.db2.gz	SNEMRULFSBANSY-GFCCVEGCSA-N	-1	0	295.360	0.979	20	30		CCEDRM
C#CCOc1ccccc1CNC(=O)CCCc1nnn[n-]1	ZINC000820013038	613007825	/nfs/dbraw/zinc/00/78/25/613007825.db2.gz	UGGCYOFYTJJPPU-UHFFFAOYSA-N	-1	0	299.334	0.851	20	30		CCEDRM
C#CC[C@@H]([N-]C(=O)C(F)(F)C(F)F)C(=O)OC	ZINC000837945318	613039472	/nfs/dbraw/zinc/03/94/72/613039472.db2.gz	ZVTDGSNJZUTYEM-RXMQYKEDSA-N	-1	0	255.167	0.568	20	30		CCEDRM
C#CC[C@@H](NC(=O)Cc1cc(CC)nn1C)C(=O)[O-]	ZINC000910048964	613040243	/nfs/dbraw/zinc/04/02/43/613040243.db2.gz	QBYGLNADXWVHOA-LLVKDONJSA-N	-1	0	263.297	0.118	20	30		CCEDRM
C#CC[C@@H](NC(=O)Cc1cc(OC)ccc1OC)C(=O)[O-]	ZINC000910046143	613040270	/nfs/dbraw/zinc/04/02/70/613040270.db2.gz	MDAFDGASKQQVEV-GFCCVEGCSA-N	-1	0	291.303	0.839	20	30		CCEDRM
C#CC[C@@H](NC(=O)Cc1cn2c(n1)CCCC2)C(=O)[O-]	ZINC000910046500	613040332	/nfs/dbraw/zinc/04/03/32/613040332.db2.gz	RFFHZWMIUWJDRK-LLVKDONJSA-N	-1	0	275.308	0.355	20	30		CCEDRM
C#CCCNC(=O)NC[C@@H]1[C@@H](C)OC(C)(C)N1C(=O)[O-]	ZINC000823444366	613047443	/nfs/dbraw/zinc/04/74/43/613047443.db2.gz	HHFHHUYYZNXTSM-NXEZZACHSA-N	-1	0	283.328	0.812	20	30		CCEDRM
C#CCCNC(=O)N[C@H]1CCN(c2cc(=O)[nH]cn2)C1	ZINC000898816938	613047690	/nfs/dbraw/zinc/04/76/90/613047690.db2.gz	YAVBBCMSNDTGCN-JTQLQIEISA-N	-1	0	275.312	0.083	20	30		CCEDRM
C#CCCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1C(=O)[O-]	ZINC000833365347	613048011	/nfs/dbraw/zinc/04/80/11/613048011.db2.gz	PTRFJOFQYJGZDQ-UHFFFAOYSA-N	-1	0	298.276	0.595	20	30		CCEDRM
C#CCCS(=O)(=O)[N-]C(=O)CC[C@H]1CCCO1	ZINC000810784183	613052747	/nfs/dbraw/zinc/05/27/47/613052747.db2.gz	VMBBABAUWFAIMG-SNVBAGLBSA-N	-1	0	259.327	0.415	20	30		CCEDRM
C#CCCS(=O)(=O)[N-]C(=O)Cc1cccnc1	ZINC000810784044	613052977	/nfs/dbraw/zinc/05/29/77/613052977.db2.gz	PTDSLYATDBJDSE-UHFFFAOYSA-N	-1	0	252.295	0.093	20	30		CCEDRM
C#CCCS(=O)(=O)[N-]C(=O)[C@@H](C)C(C)(F)F	ZINC000816056185	613053071	/nfs/dbraw/zinc/05/30/71/613053071.db2.gz	IIGJQAWWCWTWGA-SSDOTTSWSA-N	-1	0	253.270	0.747	20	30		CCEDRM
C#CCCS(=O)(=O)[N-]C(=O)[C@H]1CC[C@@H](CC)O1	ZINC000810782248	613053318	/nfs/dbraw/zinc/05/33/18/613053318.db2.gz	JMCNELMJRKHGAY-NXEZZACHSA-N	-1	0	259.327	0.413	20	30		CCEDRM
C#CCCS(=O)(=O)[N-]C(=O)c1cc(C#N)cs1	ZINC000810782367	613053432	/nfs/dbraw/zinc/05/34/32/613053432.db2.gz	NXGDRZRTJUOTMF-UHFFFAOYSA-N	-1	0	268.319	0.703	20	30		CCEDRM
C#CCCS(=O)(=O)[N-]C(=O)[C@H]1CCc2ncncc2C1	ZINC000842781092	613053452	/nfs/dbraw/zinc/05/34/52/613053452.db2.gz	XUJMERFAPCMSSO-JTQLQIEISA-N	-1	0	293.348	0.051	20	30		CCEDRM
C#CCCS(=O)(=O)[N-]C(=O)c1ccc(OC)c(F)c1	ZINC000810780344	613053617	/nfs/dbraw/zinc/05/36/17/613053617.db2.gz	ZFTHAAGBNNAAOW-UHFFFAOYSA-N	-1	0	285.296	0.917	20	30		CCEDRM
C#CC[C@H](CO)NC(=O)c1ccc(C(=O)[O-])c(C)n1	ZINC000911395195	613057787	/nfs/dbraw/zinc/05/77/87/613057787.db2.gz	NTQBNCJVFNUXME-SECBINFHSA-N	-1	0	262.265	0.202	20	30		CCEDRM
C#CC[C@H](NC(=O)C[C@H](O)c1cccc(F)c1)C(=O)[O-]	ZINC000910054001	613068025	/nfs/dbraw/zinc/06/80/25/613068025.db2.gz	HBGZFYYSFJMHHE-RYUDHWBXSA-N	-1	0	279.267	0.842	20	30		CCEDRM
C#CC[C@H](NC(=O)Cc1ccc([S@@](C)=O)cc1)C(=O)[O-]	ZINC000910050006	613068282	/nfs/dbraw/zinc/06/82/82/613068282.db2.gz	BVUOHPYODXVAFB-FKIZINRSSA-N	-1	0	293.344	0.559	20	30		CCEDRM
C#CC[C@H](NC(=O)[C@@]1(OC)CCSC1)C(=O)[O-]	ZINC000910049507	613069147	/nfs/dbraw/zinc/06/91/47/613069147.db2.gz	WFRIOAOAZPWUJG-GZMMTYOYSA-N	-1	0	257.311	0.101	20	30		CCEDRM
C#CC[C@H](NC(=O)[C@H](OC)c1cccc(OC)c1)C(=O)[O-]	ZINC000910045375	613069499	/nfs/dbraw/zinc/06/94/99/613069499.db2.gz	BWIPHBJTTIPWAO-QWHCGFSZSA-N	-1	0	291.303	0.975	20	30		CCEDRM
C#CC[C@H](NC(=O)c1cc2n(n1)CCCC2)C(=O)[O-]	ZINC000910050038	613070117	/nfs/dbraw/zinc/07/01/17/613070117.db2.gz	CLHLZNUMRYMELK-JTQLQIEISA-N	-1	0	261.281	0.426	20	30		CCEDRM
C#CC[C@H](NC(=O)c1ccnc(OCC(F)F)c1)C(=O)[O-]	ZINC000910048509	613070350	/nfs/dbraw/zinc/07/03/50/613070350.db2.gz	LCFZQUFZKXVHLU-VIFPVBQESA-N	-1	0	298.245	0.932	20	30		CCEDRM
C#CC[C@H](NC(=O)c1ccnc(N2CCCC2)n1)C(=O)[O-]	ZINC000910049040	613070398	/nfs/dbraw/zinc/07/03/98/613070398.db2.gz	RNGAMDBYZDASOA-NSHDSACASA-N	-1	0	288.307	0.283	20	30		CCEDRM
C#CCN(C)C(=O)[C@H]1CC(C(=O)[O-])=NN1c1ccccc1	ZINC000911151715	613072094	/nfs/dbraw/zinc/07/20/94/613072094.db2.gz	PXQSRKATGGLNDK-CYBMUJFWSA-N	-1	0	285.303	0.798	20	30		CCEDRM
C#C[C@@H](C)NC(=O)c1cc(=O)n(-c2nc(C)cc(C)n2)[n-]1	ZINC000907491333	613081933	/nfs/dbraw/zinc/08/19/33/613081933.db2.gz	KQTNLVAAKLIKMA-MRVPVSSYSA-N	-1	0	285.307	0.324	20	30		CCEDRM
C#C[C@@H](NC(=O)CSc1n[nH]c(=O)[n-]1)C1CCOCC1	ZINC000856104369	613092633	/nfs/dbraw/zinc/09/26/33/613092633.db2.gz	VGTHUOVEFRVJBO-SECBINFHSA-N	-1	0	296.352	0.147	20	30		CCEDRM
C#CCN(CC#C)C(=O)[C@@]1(F)CCN(C(=O)[O-])C1	ZINC000823451391	613098737	/nfs/dbraw/zinc/09/87/37/613098737.db2.gz	TWBNXOZWECWLGG-GFCCVEGCSA-N	-1	0	252.245	0.173	20	30		CCEDRM
C#C[C@@H]1CCCCN1C(=O)Cn1[n-]cc2c(=O)ncnc1-2	ZINC000890649782	613101418	/nfs/dbraw/zinc/10/14/18/613101418.db2.gz	HMOKARVYWJONMW-SNVBAGLBSA-N	-1	0	285.307	0.086	20	30		CCEDRM
C#CCN(CC(=O)[O-])S(=O)(=O)Cc1cccc(F)c1	ZINC000849219348	613103636	/nfs/dbraw/zinc/10/36/36/613103636.db2.gz	QFBHWBZREDLEQP-UHFFFAOYSA-N	-1	0	285.296	0.675	20	30		CCEDRM
C#CCN(CC)C(=O)NCCN(CCOC)C(=O)[O-]	ZINC000833787529	613105651	/nfs/dbraw/zinc/10/56/51/613105651.db2.gz	SQFSVOVGAPWZJZ-UHFFFAOYSA-N	-1	0	271.317	0.278	20	30		CCEDRM
C#CCN(CC)C(=O)C[C@H]1CN(C(=O)[O-])CCO1	ZINC000823450467	613105673	/nfs/dbraw/zinc/10/56/73/613105673.db2.gz	BWHDRFPRSXOSTD-JTQLQIEISA-N	-1	0	254.286	0.237	20	30		CCEDRM
C#C[C@H](CO)NC(=O)c1cc(C)c(OCC(=O)[O-])c(C)c1	ZINC000911613478	613129280	/nfs/dbraw/zinc/12/92/80/613129280.db2.gz	ZWSOPWZOXFJUPR-GFCCVEGCSA-N	-1	0	291.303	0.491	20	30		CCEDRM
C#C[C@H](NC(=O)N1CC[C@H](C(=O)[O-])[C@H](C)C1)[C@H]1CCCO1	ZINC000861455712	613137408	/nfs/dbraw/zinc/13/74/08/613137408.db2.gz	SJWHJVKDGVYHKI-MROQNXINSA-N	-1	0	294.351	0.919	20	30		CCEDRM
C#C[C@H](NC(=O)N[C@H]1C[C@H](C(=O)[O-])C1)[C@@H]1CCCO1	ZINC000874399291	613143131	/nfs/dbraw/zinc/14/31/31/613143131.db2.gz	VESYVDRNJMZPRU-NAKRPEOUSA-N	-1	0	266.297	0.330	20	30		CCEDRM
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C#Cc1ccc(C(=O)N2CCOC[C@H]2CC(=O)[O-])cc1	ZINC000909617445	613170999	/nfs/dbraw/zinc/17/09/99/613170999.db2.gz	UBEMCMXRZDFHLO-CYBMUJFWSA-N	-1	0	273.288	0.984	20	30		CCEDRM
C#Cc1ccc(C(=O)N2CCO[C@@H](CC(=O)[O-])C2)nc1	ZINC000825636068	613171187	/nfs/dbraw/zinc/17/11/87/613171187.db2.gz	BAUPNMUHUHTXSB-NSHDSACASA-N	-1	0	274.276	0.379	20	30		CCEDRM
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C#Cc1ccc(C(=O)N2CC[C@](C)(C(=O)[O-])C2)cn1	ZINC000825636064	613174721	/nfs/dbraw/zinc/17/47/21/613174721.db2.gz	AYJXXOYLPRIVLD-AWEZNQCLSA-N	-1	0	258.277	1.000	20	30		CCEDRM
C#Cc1ccc(C(=O)N[C@@](C)(COC)C(=O)[O-])cc1	ZINC000909365658	613187887	/nfs/dbraw/zinc/18/78/87/613187887.db2.gz	SWWRBUDAYMXQFW-AWEZNQCLSA-N	-1	0	261.277	0.887	20	30		CCEDRM
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C#CCN1CCN(C(=O)[C@@H](C(=O)[O-])C(C)C)CC1	ZINC000911150006	613206548	/nfs/dbraw/zinc/20/65/48/613206548.db2.gz	CQBJPWKGMPRISR-NSHDSACASA-N	-1	0	252.314	0.121	20	30		CCEDRM
C=C(C)CO[N-]C(=O)C1(n2cnnn2)CCCCC1	ZINC000846532510	613352429	/nfs/dbraw/zinc/35/24/29/613352429.db2.gz	QTXDFXPWXMRMBE-UHFFFAOYSA-N	-1	0	265.317	0.956	20	30		CCEDRM
C=C(C)CO[N-]C(=O)CN1CCC[C@@H](C(=O)OC)C1=O	ZINC000824028676	613352490	/nfs/dbraw/zinc/35/24/90/613352490.db2.gz	OWZKMGYCKNFPSV-SNVBAGLBSA-N	-1	0	284.312	0.022	20	30		CCEDRM
C=C(C)CO[N-]C(=O)[C@](C)(O)Cn1c(C)cccc1=O	ZINC000846534770	613353951	/nfs/dbraw/zinc/35/39/51/613353951.db2.gz	AXKCBRPKWDEKKU-CQSZACIVSA-N	-1	0	280.324	0.532	20	30		CCEDRM
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C=C(C)C[C@@H](NC(=O)NCCn1ccnc1)C(=O)[O-]	ZINC000908752204	613355909	/nfs/dbraw/zinc/35/59/09/613355909.db2.gz	CBBODMMZHBEFGY-SNVBAGLBSA-N	-1	0	266.301	0.602	20	30		CCEDRM
C=C(C)C[C@@H](NC(=O)[C@H](OC)c1cnn(C)c1)C(=O)[O-]	ZINC000910292715	613356120	/nfs/dbraw/zinc/35/61/20/613356120.db2.gz	HRHJPXOKIZSDNB-GHMZBOCLSA-N	-1	0	281.312	0.643	20	30		CCEDRM
C=C(C)C[C@H](NC(=O)C1CCN(OC)CC1)C(=O)[O-]	ZINC000910293191	613358504	/nfs/dbraw/zinc/35/85/04/613358504.db2.gz	VLYTUCXKDMTFIU-NSHDSACASA-N	-1	0	270.329	0.795	20	30		CCEDRM
C=C(C)C[C@H](NC(=O)COC1CCOCC1)C(=O)[O-]	ZINC000910291049	613358718	/nfs/dbraw/zinc/35/87/18/613358718.db2.gz	CCXAVRJILQJJKI-NSHDSACASA-N	-1	0	271.313	0.718	20	30		CCEDRM
C=C(C)C[C@H](NC(=O)NCCO[C@H]1CCOC1)C(=O)[O-]	ZINC000929017022	613358768	/nfs/dbraw/zinc/35/87/68/613358768.db2.gz	MGHZIKJHMXBROC-QWRGUYRKSA-N	-1	0	286.328	0.511	20	30		CCEDRM
C=C(C)C[C@H](NC(=O)[C@@H]1CCc2nccn2C1)C(=O)[O-]	ZINC000910286006	613358936	/nfs/dbraw/zinc/35/89/36/613358936.db2.gz	DUULVOUEDYRFIU-MNOVXSKESA-N	-1	0	277.324	0.981	20	30		CCEDRM
C=C(C)C[C@H](NC(=O)c1ccc(=O)[nH]c1)C(=O)[O-]	ZINC000910288574	613359190	/nfs/dbraw/zinc/35/91/90/613359190.db2.gz	XLPAGSAJXXYPOH-VIFPVBQESA-N	-1	0	250.254	0.936	20	30		CCEDRM
C=C(C)[C@@H]1OCC[C@@H]1C(=O)NCc1n[nH]c(=O)[n-]1	ZINC000906889554	613361548	/nfs/dbraw/zinc/36/15/48/613361548.db2.gz	NANTWWGRJVWWBA-CBAPKCEASA-N	-1	0	252.274	0.108	20	30		CCEDRM
C=C(C)[C@H](CC(=O)N(CC#N)CC(=O)[O-])OCC	ZINC000833367683	613362128	/nfs/dbraw/zinc/36/21/28/613362128.db2.gz	RCOCOBBZIFKLBN-JTQLQIEISA-N	-1	0	254.286	0.794	20	30		CCEDRM
C=C(C)[C@H]1OCC[C@@H]1CNC(=O)Cn1ccc(C(=O)[O-])n1	ZINC000910252653	613362747	/nfs/dbraw/zinc/36/27/47/613362747.db2.gz	VXSFDHCOKAYKES-ZWNOBZJWSA-N	-1	0	293.323	0.679	20	30		CCEDRM
C=C(Cl)CN1C(=O)N[C@]2(CCN(C(=O)[O-])C2)C1=O	ZINC000823480538	613370919	/nfs/dbraw/zinc/37/09/19/613370919.db2.gz	GCPQPSUHYHMZKO-JTQLQIEISA-N	-1	0	273.676	0.413	20	30		CCEDRM
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C=C(Cl)C[C@H](NC(=O)NCCOCCOC)C(=O)[O-]	ZINC000908889100	613390656	/nfs/dbraw/zinc/39/06/56/613390656.db2.gz	MKIKBEKHAPTBHZ-VIFPVBQESA-N	-1	0	294.735	0.544	20	30		CCEDRM
C=C(Cl)C[C@H](NC(=O)NCc1ccn(C)n1)C(=O)[O-]	ZINC000908962091	613390668	/nfs/dbraw/zinc/39/06/68/613390668.db2.gz	ICJINGBBGVRGEK-VIFPVBQESA-N	-1	0	286.719	0.815	20	30		CCEDRM
C=C(Cl)C[C@H](NS(=O)(=O)N1CC[C@H](C)C1)C(=O)[O-]	ZINC000863421139	613390943	/nfs/dbraw/zinc/39/09/43/613390943.db2.gz	VKAHRDBNKVTTCK-CBAPKCEASA-N	-1	0	296.776	0.758	20	30		CCEDRM
C=CC[C@@H]1CCN(C(=O)Cn2[n-]cc3c(=O)ncnc2-3)C1	ZINC000862543438	613408447	/nfs/dbraw/zinc/40/84/47/613408447.db2.gz	HUIHJFKSWCWVSX-SNVBAGLBSA-N	-1	0	287.323	0.496	20	30		CCEDRM
C=CC[C@H](CC)NC(=O)C(=O)NC[C@@H](CC)C(=O)[O-]	ZINC000927942774	613414731	/nfs/dbraw/zinc/41/47/31/613414731.db2.gz	ITNDNDCCVYHTBF-ZJUUUORDSA-N	-1	0	270.329	0.684	20	30		CCEDRM
C=C1CN(C(=O)c2cc(=O)n(-c3nc(C)cc(C)n3)[n-]2)C1	ZINC000912448076	613416864	/nfs/dbraw/zinc/41/68/64/613416864.db2.gz	QVGUENZOIWUMDN-UHFFFAOYSA-N	-1	0	285.307	0.584	20	30		CCEDRM
C=CC[C@H](CO)[N-]S(=O)(=O)N=[S@](C)(=O)C(C)(C)C	ZINC000872472845	613418685	/nfs/dbraw/zinc/41/86/85/613418685.db2.gz	VABVCAKKVCZRRE-VVVCHXIZSA-N	-1	0	298.430	0.654	20	30		CCEDRM
C=CCn1cc(C(=O)N2CC[C@@H](C(=O)[O-])[C@H](C)C2)nn1	ZINC000844155069	613426138	/nfs/dbraw/zinc/42/61/38/613426138.db2.gz	HJUFJUGZMNVSLX-NXEZZACHSA-N	-1	0	278.312	0.647	20	30		CCEDRM
C=CCn1cc(C(=O)N[C@@H]2CC=C(C(=O)[O-])C2)nn1	ZINC000864166342	613430145	/nfs/dbraw/zinc/43/01/45/613430145.db2.gz	NRIVHTXQAFVWJT-SECBINFHSA-N	-1	0	262.269	0.367	20	30		CCEDRM
C=C[C@@H](C)NC(=O)C(=O)Nc1ccccc1CC(=O)[O-]	ZINC000817681115	613442167	/nfs/dbraw/zinc/44/21/67/613442167.db2.gz	WPEZMOQURRQKSM-SECBINFHSA-N	-1	0	276.292	0.943	20	30		CCEDRM
C=C[C@@H](C)O[N-]C(=O)C(=O)Nc1cncc(OC)c1	ZINC000873934219	613443322	/nfs/dbraw/zinc/44/33/22/613443322.db2.gz	IEONQAQMYZZEMS-MRVPVSSYSA-N	-1	0	265.269	0.651	20	30		CCEDRM
C=C[C@@H](C)O[N-]C(=O)C(=O)Nc1cnn(C(F)F)c1	ZINC000846155148	613443339	/nfs/dbraw/zinc/44/33/39/613443339.db2.gz	VDUGAKMFYFEWIL-ZCFIWIBFSA-N	-1	0	274.227	0.839	20	30		CCEDRM
C=C[C@@H](C)ONC(=O)Cc1c(C)nc(C)[nH]c1=O	ZINC000846550328	613443492	/nfs/dbraw/zinc/44/34/92/613443492.db2.gz	OFZLQULNTLMFNX-SSDOTTSWSA-N	-1	0	251.286	0.964	20	30		CCEDRM
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C=C[C@@H](C)O[N-]C(=O)Cn1cc([N+](=O)[O-])ccc1=O	ZINC000846551499	613444178	/nfs/dbraw/zinc/44/41/78/613444178.db2.gz	SXRVNPYVPVZXMB-MRVPVSSYSA-N	-1	0	267.241	0.379	20	30		CCEDRM
C=CC(C)(C)CC(=O)N1CCO[C@@H](c2nnn[n-]2)C1	ZINC000900627456	613445252	/nfs/dbraw/zinc/44/52/52/613445252.db2.gz	XZPOVRSLNQFZBI-SECBINFHSA-N	-1	0	265.317	0.702	20	30		CCEDRM
C=CC1(S(=O)(=O)[N-]C(=O)[C@@H]2CC(=O)N(C3CC3)C2)CC1	ZINC000870832086	613451234	/nfs/dbraw/zinc/45/12/34/613451234.db2.gz	SDHINSHOIXRTKH-SECBINFHSA-N	-1	0	298.364	0.162	20	30		CCEDRM
C=CC1(S(=O)(=O)[N-]C(=O)[C@H]2CCC(=O)C2)CC1	ZINC000870838703	613451711	/nfs/dbraw/zinc/45/17/11/613451711.db2.gz	KMSDZOXIUZAAEX-QMMMGPOBSA-N	-1	0	257.311	0.520	20	30		CCEDRM
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C=CC1(S(=O)(=O)[N-]C(=O)c2ccnc3ccnn32)CC1	ZINC000870839420	613451994	/nfs/dbraw/zinc/45/19/94/613451994.db2.gz	KZGYIWUEGMHOCB-UHFFFAOYSA-N	-1	0	292.320	0.508	20	30		CCEDRM
C=CC1(S(=O)(=O)[N-]C(=O)c2cc(C)nn2C)CC1	ZINC000870833491	613452011	/nfs/dbraw/zinc/45/20/11/613452011.db2.gz	VJJHBXHTWWPNOJ-UHFFFAOYSA-N	-1	0	269.326	0.507	20	30		CCEDRM
C=CC1CCN(C(=O)[C@@H]2C[C@H](O)CN2C(=O)[O-])CC1	ZINC000823491541	613452309	/nfs/dbraw/zinc/45/23/09/613452309.db2.gz	WTHAAUDCBBYROE-QWRGUYRKSA-N	-1	0	268.313	0.524	20	30		CCEDRM
C=C[C@@H](O)C(=O)N[C@H](C)c1ncc(C(=O)[O-])s1	ZINC000910151354	613452650	/nfs/dbraw/zinc/45/26/50/613452650.db2.gz	APULDLMJJTZKEZ-PHDIDXHHSA-N	-1	0	256.283	0.565	20	30		CCEDRM
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C=CCC(F)(F)C(=O)[N-]S(=O)(=O)c1cnn(CC)c1	ZINC000815973889	613455199	/nfs/dbraw/zinc/45/51/99/613455199.db2.gz	RZBZCAPFQZZXBI-UHFFFAOYSA-N	-1	0	293.295	0.919	20	30		CCEDRM
C=CCC1(C(=O)[N-]S(=O)(=O)c2cc[nH]n2)CCOCC1	ZINC000820748330	613456445	/nfs/dbraw/zinc/45/64/45/613456445.db2.gz	SJSWFSKJGIJMOF-UHFFFAOYSA-N	-1	0	299.352	0.588	20	30		CCEDRM
C=CCC1(C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)[O-])CCC1	ZINC000910283857	613456629	/nfs/dbraw/zinc/45/66/29/613456629.db2.gz	XRVXWRDDGXSHSQ-UWVGGRQHSA-N	-1	0	282.340	0.827	20	30		CCEDRM
C=CCC1(S(=O)(=O)[N-]C(=O)c2cccn(C)c2=O)CC1	ZINC000810982828	613461365	/nfs/dbraw/zinc/46/13/65/613461365.db2.gz	ZAGAGSDMQGECEX-UHFFFAOYSA-N	-1	0	296.348	0.554	20	30		CCEDRM
C=CCCC(=O)N[C@](C)(Cn1cccn1)C(=O)[O-]	ZINC000908271613	613463132	/nfs/dbraw/zinc/46/31/32/613463132.db2.gz	INWNRZWMYRAQOM-GFCCVEGCSA-N	-1	0	251.286	0.809	20	30		CCEDRM
C=C[C@@H]1OCC[C@H]1CNC(=O)NC(C)(C)C(=O)[O-]	ZINC000909239187	613469301	/nfs/dbraw/zinc/46/93/01/613469301.db2.gz	SRFJRDPUHUYSAJ-IUCAKERBSA-N	-1	0	256.302	0.740	20	30		CCEDRM
C=CCCCS(=O)(=O)N[C@@H](COCC(C)C)C(=O)[O-]	ZINC000906004773	613469608	/nfs/dbraw/zinc/46/96/08/613469608.db2.gz	UYDMKCBQPWHAKL-NSHDSACASA-N	-1	0	293.385	0.998	20	30		CCEDRM
C=C[C@@H]1OCC[C@H]1CNC(=O)N[C@H]1C[C@H](C(=O)[O-])C1	ZINC000874404698	613469852	/nfs/dbraw/zinc/46/98/52/613469852.db2.gz	INYVORRXRRCMEG-NAKRPEOUSA-N	-1	0	268.313	0.740	20	30		CCEDRM
C=CCCC[C@@H](NC(=O)CNC(=O)C1CC1)C(=O)[O-]	ZINC000910913775	613470443	/nfs/dbraw/zinc/47/04/43/613470443.db2.gz	CEKLTTLEGXGUDK-SNVBAGLBSA-N	-1	0	268.313	0.438	20	30		CCEDRM
C=CCCC[C@@H](NC(=O)[C@H]1[C@@H]2COC[C@@H]21)C(=O)[O-]	ZINC000910923679	613471056	/nfs/dbraw/zinc/47/10/56/613471056.db2.gz	VJNKXGBHGMBDNF-YTWAJWBKSA-N	-1	0	253.298	0.805	20	30		CCEDRM
C=C[C@@](C)(O)C(=O)NCCc1cccc(C(=O)[O-])c1	ZINC000909462311	613478282	/nfs/dbraw/zinc/47/82/82/613478282.db2.gz	BYBUIXJMHOOXFP-CQSZACIVSA-N	-1	0	263.293	0.981	20	30		CCEDRM
C=C[C@@](C)(O)C(=O)N[C@H](C)C1(C(=O)[O-])CCOCC1	ZINC000907919367	613478906	/nfs/dbraw/zinc/47/89/06/613478906.db2.gz	KPHFXIVLGVVKOR-BXKDBHETSA-N	-1	0	271.313	0.310	20	30		CCEDRM
C=C[C@H](C)NC(=O)C(C)(C)N1CCN(C(=O)[O-])CC1	ZINC000823485069	613482516	/nfs/dbraw/zinc/48/25/16/613482516.db2.gz	ACIGZHPRRFBGEI-JTQLQIEISA-N	-1	0	269.345	0.751	20	30		CCEDRM
C=C[C@H](C)NC(=O)C(=O)Nc1ccc(CC(=O)[O-])cc1	ZINC000825653284	613482647	/nfs/dbraw/zinc/48/26/47/613482647.db2.gz	IEQVPEXIODXSRM-VIFPVBQESA-N	-1	0	276.292	0.943	20	30		CCEDRM
C=C[C@H](C)NC(=O)c1cccn(CC(=O)[O-])c1=O	ZINC000901781962	613482944	/nfs/dbraw/zinc/48/29/44/613482944.db2.gz	ZAOMOSHQGMLEMB-QMMMGPOBSA-N	-1	0	250.254	0.237	20	30		CCEDRM
C=C[C@H](C)O[N-]C(=O)C(=O)Nc1cncc(OC(C)C)n1	ZINC000847533477	613483697	/nfs/dbraw/zinc/48/36/97/613483697.db2.gz	HAUPSABGCKBDJG-VIFPVBQESA-N	-1	0	294.311	0.825	20	30		CCEDRM
C=C[C@H](C)O[N-]C(=O)C(=O)Nc1ccn(CCCOC)n1	ZINC000846154924	613483702	/nfs/dbraw/zinc/48/37/02/613483702.db2.gz	RBGNSXPUWLNFGJ-JTQLQIEISA-N	-1	0	296.327	0.480	20	30		CCEDRM
C=C[C@H](C)O[N-]C(=O)CC(=O)NCC(F)(F)F	ZINC000846549120	613484263	/nfs/dbraw/zinc/48/42/63/613484263.db2.gz	MWPBJCDHQWVNDV-LURJTMIESA-N	-1	0	254.208	0.677	20	30		CCEDRM
C=C[C@H](C)O[N-]C(=O)[C@H](O)[C@H](O)c1nc2ccccc2[nH]1	ZINC000846551138	613488164	/nfs/dbraw/zinc/48/81/64/613488164.db2.gz	XCZDDQFEYYEQER-KPXOXKRLSA-N	-1	0	291.307	0.580	20	30		CCEDRM
C=C[C@H](C)O[N-]C(=O)[C@@H](CO)NC(=O)OC(C)(C)C	ZINC000824033147	613488304	/nfs/dbraw/zinc/48/83/04/613488304.db2.gz	DHRGCFQEYOOLOY-DTWKUNHWSA-N	-1	0	274.317	0.494	20	30		CCEDRM
C=C[C@H](CCC(=O)[O-])NS(=O)(=O)N(C)C(C)C	ZINC000837291540	613489864	/nfs/dbraw/zinc/48/98/64/613489864.db2.gz	KDHFGZKJGFDBPQ-SECBINFHSA-N	-1	0	264.347	0.580	20	30		CCEDRM
C=C[C@H](O)C(=O)N(C)[C@H](Cc1ccccc1)C(=O)[O-]	ZINC000909640929	613493589	/nfs/dbraw/zinc/49/35/89/613493589.db2.gz	RWPZFQSLSCZJAI-NEPJUHHUSA-N	-1	0	263.293	0.688	20	30		CCEDRM
C=C[C@H](O)C(=O)N1CCC(C(=O)[O-])(C(F)(F)F)CC1	ZINC000911019609	613493912	/nfs/dbraw/zinc/49/39/12/613493912.db2.gz	JKRYNMFODQJCDN-ZETCQYMHSA-N	-1	0	281.230	0.789	20	30		CCEDRM
C=C[C@](C)(O)C(=O)N[C@H](Cc1ccc(F)cc1)C(=O)[O-]	ZINC000910904708	613508410	/nfs/dbraw/zinc/50/84/10/613508410.db2.gz	GMORAZPXSVEFGZ-RISCZKNCSA-N	-1	0	281.283	0.875	20	30		CCEDRM
CC#CCCNC(=O)N[C@@H](C[C@@H]1CCCO1)C(=O)[O-]	ZINC000909031507	613522419	/nfs/dbraw/zinc/52/24/19/613522419.db2.gz	KXNKUSPCNNIQON-QWRGUYRKSA-N	-1	0	268.313	0.721	20	30		CCEDRM
C=CCCOCC(=O)N1CCSC[C@@H]1c1nnn[n-]1	ZINC000907474443	613571265	/nfs/dbraw/zinc/57/12/65/613571265.db2.gz	KJDZPRYCCZDCBQ-SECBINFHSA-N	-1	0	283.357	0.409	20	30		CCEDRM
C=CCCOCC(=O)N=c1ccnc2n(C)[nH]cc1-2	ZINC000801703643	613572223	/nfs/dbraw/zinc/57/22/23/613572223.db2.gz	PDFXVGRUERPKKA-UHFFFAOYSA-N	-1	0	260.297	0.873	20	30		CCEDRM
C=CCCO[N-]C(=O)Cc1nnn(C(C)(C)C)n1	ZINC000856028271	613576563	/nfs/dbraw/zinc/57/65/63/613576563.db2.gz	PXJBLBPDBCXYBN-UHFFFAOYSA-N	-1	0	253.306	0.595	20	30		CCEDRM
C=CCCO[C@@H](C)C(=O)N[C@@H](CSC)C(=O)[O-]	ZINC000910880605	613578558	/nfs/dbraw/zinc/57/85/58/613578558.db2.gz	FWUXTBSVRMLOIX-IUCAKERBSA-N	-1	0	261.343	0.900	20	30		CCEDRM
C=CCCO[C@H](C)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)[O-]	ZINC000833373871	613579551	/nfs/dbraw/zinc/57/95/51/613579551.db2.gz	HHGGWCDULSTJQX-KOLCDFICSA-N	-1	0	281.312	0.503	20	30		CCEDRM
C=CCCS(=O)(=O)N[C@@H](COC(C)C)C(=O)[O-]	ZINC000863416441	613581434	/nfs/dbraw/zinc/58/14/34/613581434.db2.gz	GJEYXVDPWBCXPX-VIFPVBQESA-N	-1	0	265.331	0.360	20	30		CCEDRM
C=CCC[C@@H](NC(=O)COC1CCOCC1)C(=O)[O-]	ZINC000909712679	613584246	/nfs/dbraw/zinc/58/42/46/613584246.db2.gz	KYYRYSYHHCSOPI-LLVKDONJSA-N	-1	0	271.313	0.718	20	30		CCEDRM
C=CCC[C@@H](NC(=O)[C@@H]1CCc2nnc(C)n2C1)C(=O)[O-]	ZINC000909719209	613584942	/nfs/dbraw/zinc/58/49/42/613584942.db2.gz	YVRITNOXTYRHRI-GHMZBOCLSA-N	-1	0	292.339	0.685	20	30		CCEDRM
C=CCC[C@@H](NC(=O)Cn1ccc(C)n1)C(=O)[O-]	ZINC000909712866	613585211	/nfs/dbraw/zinc/58/52/11/613585211.db2.gz	CDZULIIEZXFXTJ-SNVBAGLBSA-N	-1	0	251.286	0.727	20	30		CCEDRM
C=CCC[C@@H](O)CN1Cc2nnc(C)n2C[C@@H]1C(=O)[O-]	ZINC000923243424	613586302	/nfs/dbraw/zinc/58/63/02/613586302.db2.gz	GYJUEYVHWRQSCI-GHMZBOCLSA-N	-1	0	280.328	0.182	20	30		CCEDRM
C=CCC[C@@H](O)Cn1cc(C[N-]C(=O)C(F)(F)F)nn1	ZINC000881406164	613586367	/nfs/dbraw/zinc/58/63/67/613586367.db2.gz	HDWQNMZDRFDBHM-SECBINFHSA-N	-1	0	292.261	0.784	20	30		CCEDRM
C=CCCn1cc(C(=O)[N-]S(=O)(=O)CC=C)nn1	ZINC000820400164	613594878	/nfs/dbraw/zinc/59/48/78/613594878.db2.gz	UVHAKIYBCZTARO-UHFFFAOYSA-N	-1	0	270.314	0.100	20	30		CCEDRM
C=CCN(C(=O)C(=O)N1C[C@H](C(=O)[O-])C[C@H](C)C1)C(C)C	ZINC000817895621	613602090	/nfs/dbraw/zinc/60/20/90/613602090.db2.gz	WLDCBIMHUJPAGA-NWDGAFQWSA-N	-1	0	296.367	0.979	20	30		CCEDRM
CC#CCS(=O)(=O)[N-]C(=O)CSC(C)(C)C	ZINC000810772105	613645788	/nfs/dbraw/zinc/64/57/88/613645788.db2.gz	UIVKORVLIXIVKK-UHFFFAOYSA-N	-1	0	263.384	0.987	20	30		CCEDRM
C=CCN(C/C=C(/C)C(=O)[O-])[C@H]1CCS(=O)(=O)C1	ZINC000825682146	613641942	/nfs/dbraw/zinc/64/19/42/613641942.db2.gz	PNERCWFRRHJYKJ-FGUAACIASA-N	-1	0	273.354	0.692	20	30		CCEDRM
C=CCN(CC(=O)[O-])C(=O)NCCN1CCOC(C)(C)C1	ZINC000908913252	613642530	/nfs/dbraw/zinc/64/25/30/613642530.db2.gz	FUXOKVRBJIFRRD-UHFFFAOYSA-N	-1	0	299.371	0.379	20	30		CCEDRM
C=CCN(CC(=O)[O-])C(=O)N[C@@H]1CCc2[nH]cnc2C1	ZINC000909020886	613642787	/nfs/dbraw/zinc/64/27/87/613642787.db2.gz	RPUTUGLUJHTFOT-SECBINFHSA-N	-1	0	278.312	0.549	20	30		CCEDRM
C=CCN(CC(=O)[O-])C(=O)[C@H]1CCc2nnn(C)c2C1	ZINC000909516641	613643629	/nfs/dbraw/zinc/64/36/29/613643629.db2.gz	LLEOAFYUKIFQSH-VIFPVBQESA-N	-1	0	278.312	0.019	20	30		CCEDRM
CC#CCNc1nccc(-c2nn[nH]n2)c1[N+](=O)[O-]	ZINC000823943741	613645106	/nfs/dbraw/zinc/64/51/06/613645106.db2.gz	SDKGVYUGKLADIP-UHFFFAOYSA-N	-1	0	259.229	0.605	20	30		CCEDRM
CC#CCS(=O)(=O)[N-]C(=O)Cn1ncc2ccccc21	ZINC000810773444	613646121	/nfs/dbraw/zinc/64/61/21/613646121.db2.gz	FNUJERCJFLWQER-UHFFFAOYSA-N	-1	0	291.332	0.506	20	30		CCEDRM
CC#CCS(=O)(=O)[N-]C(=O)[C@@H]1CCc2ccccc2O1	ZINC000842345133	613646526	/nfs/dbraw/zinc/64/65/26/613646526.db2.gz	BYWLBFNBMQYAQI-ZDUSSCGKSA-N	-1	0	293.344	0.850	20	30		CCEDRM
CC#CCS(=O)(=O)[N-]C(=O)[C@H]1CCC[C@H](OC)C1	ZINC000816056481	613647176	/nfs/dbraw/zinc/64/71/76/613647176.db2.gz	UQQFCTCXOAYCGP-QWRGUYRKSA-N	-1	0	273.354	0.661	20	30		CCEDRM
CC#CCS(=O)(=O)[N-]C(=O)c1csnc1C	ZINC000791111204	613648063	/nfs/dbraw/zinc/64/80/63/613648063.db2.gz	QCBBPFKUHBRNEA-UHFFFAOYSA-N	-1	0	258.324	0.534	20	30		CCEDRM
C=CCN(CC=C)C(=O)NCC1CN(C(=O)[O-])C1	ZINC000833788285	613648215	/nfs/dbraw/zinc/64/82/15/613648215.db2.gz	TXWVSIRWQQLLHL-UHFFFAOYSA-N	-1	0	253.302	0.980	20	30		CCEDRM
C=CCN(CC=C)C(=O)[C@H](C)N1CCO[C@@H](CC(=O)[O-])C1	ZINC000825682428	613648407	/nfs/dbraw/zinc/64/84/07/613648407.db2.gz	ZSSNUQYPSWOEFN-STQMWFEESA-N	-1	0	296.367	0.751	20	30		CCEDRM
C=CCN(CC=C)C(=O)[C@H]1CN(C(=O)[O-])CCO1	ZINC000823500264	613649002	/nfs/dbraw/zinc/64/90/02/613649002.db2.gz	DLUCBIFYICZRDG-SNVBAGLBSA-N	-1	0	254.286	0.566	20	30		CCEDRM
CC(=NNC1CCCC1)c1cn(CC(=O)[O-])nn1	ZINC000825804373	613654400	/nfs/dbraw/zinc/65/44/00/613654400.db2.gz	GZDGIFHVTJGJNX-UHFFFAOYSA-N	-1	0	251.290	0.619	20	30		CCEDRM
C=CCNC(=O)CNC(=O)CCc1ccccc1C(=O)[O-]	ZINC000833377400	613846157	/nfs/dbraw/zinc/84/61/57/613846157.db2.gz	VKCBMKLPMJJSOX-UHFFFAOYSA-N	-1	0	290.319	0.736	20	30		CCEDRM
C=CCNC(=O)COC(=O)C(C)(C)C(C)(C)NC(=O)[O-]	ZINC000823506801	613847448	/nfs/dbraw/zinc/84/74/48/613847448.db2.gz	NCTDQUVUCWWNNN-UHFFFAOYSA-N	-1	0	286.328	0.904	20	30		CCEDRM
C=CCNC(=O)C(C#N)=C([O-])c1cc(CCC)[nH]n1	ZINC000916918811	613853013	/nfs/dbraw/zinc/85/30/13/613853013.db2.gz	WTPVXMFLKNAWND-JTQLQIEISA-N	-1	0	260.297	0.987	20	30		CCEDRM
C=CCNC(=O)C(C#N)=C([O-])c1cccc(C(N)=O)c1	ZINC000916920950	613853015	/nfs/dbraw/zinc/85/30/15/613853015.db2.gz	KGVUGNQFQAZMGA-NSHDSACASA-N	-1	0	271.276	0.410	20	30		CCEDRM
C=CCOCC(=O)NCCc1nc(C(=O)[O-])cs1	ZINC000909799972	613879286	/nfs/dbraw/zinc/87/92/86/613879286.db2.gz	QLIALJWKKRDYCG-UHFFFAOYSA-N	-1	0	270.310	0.703	20	30		CCEDRM
C=CCOCC(=O)N[C@@H](CC(=O)[O-])C(F)(F)F	ZINC000911157590	613879441	/nfs/dbraw/zinc/87/94/41/613879441.db2.gz	JVEDFUSMUIAHCZ-LURJTMIESA-N	-1	0	255.192	0.711	20	30		CCEDRM
C=CCOCC(=O)[N-]S(=O)(=O)C1(CC=C)CC1	ZINC000810982808	613879454	/nfs/dbraw/zinc/87/94/54/613879454.db2.gz	YCYYUKIHIPEESH-UHFFFAOYSA-N	-1	0	259.327	0.744	20	30		CCEDRM
C=CCOCC(=O)N[C@]1(C(=O)[O-])C[C@@H](OCC)C1(C)C	ZINC000909604627	613879485	/nfs/dbraw/zinc/87/94/85/613879485.db2.gz	YOFDFXCCTDWACC-YGRLFVJLSA-N	-1	0	285.340	0.964	20	30		CCEDRM
C=CCOCCCC(=O)Nc1ccncc1-c1nn[nH]n1	ZINC000819759513	613879740	/nfs/dbraw/zinc/87/97/40/613879740.db2.gz	YKBGGNWKSKNGQJ-UHFFFAOYSA-N	-1	0	288.311	0.605	20	30		CCEDRM
C=CCOCCCNS(=O)(=O)N=[S@](C)(=O)CC	ZINC000867515019	613880367	/nfs/dbraw/zinc/88/03/67/613880367.db2.gz	GPQCWFVPHBZJGH-MRXNPFEDSA-N	-1	0	284.403	0.531	20	30		CCEDRM
C=CCOCCNC(=O)C(=O)Nc1ccsc1C(=O)[O-]	ZINC000833376104	613880631	/nfs/dbraw/zinc/88/06/31/613880631.db2.gz	TZQRPWVVHZEEHM-UHFFFAOYSA-N	-1	0	298.320	0.704	20	30		CCEDRM
C=CCOCCNC(=O)C(=O)Nc1ccccc1C(=O)[O-]	ZINC000819720451	613880669	/nfs/dbraw/zinc/88/06/69/613880669.db2.gz	ZOXASEATKBDPLA-UHFFFAOYSA-N	-1	0	292.291	0.642	20	30		CCEDRM
C=CCOCCNc1nnc(C)c(C)c1-c1nn[nH]n1	ZINC000823932150	613881191	/nfs/dbraw/zinc/88/11/91/613881191.db2.gz	QBURQHHRWATYIY-UHFFFAOYSA-N	-1	0	275.316	0.888	20	30		CCEDRM
C=CCOC[C@@H](NC(=O)CC1(O)CCCC1)C(=O)[O-]	ZINC000909771473	613881577	/nfs/dbraw/zinc/88/15/77/613881577.db2.gz	NJJGDUXPCYQAOQ-SNVBAGLBSA-N	-1	0	271.313	0.454	20	30		CCEDRM
C=CCOC[C@@H](NC(=O)N[C@H]1CCCSC1)C(=O)[O-]	ZINC000797727942	613881755	/nfs/dbraw/zinc/88/17/55/613881755.db2.gz	VCBGFAKIGUZIFJ-VHSXEESVSA-N	-1	0	288.369	0.837	20	30		CCEDRM
C=CCOC[C@@H](NC(=O)c1ccc(CO)c(F)c1)C(=O)[O-]	ZINC000909770956	613881855	/nfs/dbraw/zinc/88/18/55/613881855.db2.gz	JTCYKHCYARATLI-GFCCVEGCSA-N	-1	0	297.282	0.704	20	30		CCEDRM
C=CCOC[C@@H](NC(=O)c1cc(C)co1)C(=O)[O-]	ZINC000909766625	613881890	/nfs/dbraw/zinc/88/18/90/613881890.db2.gz	JFTNZYKEYKIEBO-SECBINFHSA-N	-1	0	253.254	0.974	20	30		CCEDRM
C=CCOC[C@@H](NC(=O)c1cc2n(n1)CCC2)C(=O)[O-]	ZINC000909772996	613881914	/nfs/dbraw/zinc/88/19/14/613881914.db2.gz	ZTRRBPLWSPFLRB-LLVKDONJSA-N	-1	0	279.296	0.215	20	30		CCEDRM
C=CCOC[C@@H](NC(=O)[C@](C)(O)CCC)C(=O)[O-]	ZINC000909767607	613881943	/nfs/dbraw/zinc/88/19/43/613881943.db2.gz	QAMBYDZVLCHMLJ-BXKDBHETSA-N	-1	0	259.302	0.310	20	30		CCEDRM
C=CCOC[C@H](NC(=O)C[C@H](C)n1ccc(C)n1)C(=O)[O-]	ZINC000909771497	613882383	/nfs/dbraw/zinc/88/23/83/613882383.db2.gz	NQANQQAIUBADMN-RYUDHWBXSA-N	-1	0	295.339	0.915	20	30		CCEDRM
C=CCOC[C@H](NC(=O)[C@@H](CCC)OC)C(=O)[O-]	ZINC000909772526	613882485	/nfs/dbraw/zinc/88/24/85/613882485.db2.gz	RGCPTMQPTWCFCH-VHSXEESVSA-N	-1	0	259.302	0.574	20	30		CCEDRM
C=CCOC[C@H](NC(=O)[C@H]1C[C@H](C)CO1)C(=O)[O-]	ZINC000909767404	613882693	/nfs/dbraw/zinc/88/26/93/613882693.db2.gz	NTALAGKMOLTGPF-LPEHRKFASA-N	-1	0	257.286	0.183	20	30		CCEDRM
C=CCOC[C@H](NC(=O)[C@H]1C[C@@H]1c1cnn(C)c1)C(=O)[O-]	ZINC000909769971	613882713	/nfs/dbraw/zinc/88/27/13/613882713.db2.gz	FZPTYLLJCBKFOP-WOPDTQHZSA-N	-1	0	293.323	0.296	20	30		CCEDRM
C=CCS(=O)(=O)[N-]C(=O)CO[C@H](C)c1nccn1C	ZINC000805902441	613886132	/nfs/dbraw/zinc/88/61/32/613886132.db2.gz	PLWRBFRVWGDOOV-SECBINFHSA-N	-1	0	287.341	0.130	20	30		CCEDRM
C=CCS(=O)(=O)[N-]C(=O)[C@@H]1OC[C@@H]2CCC[C@@H]21	ZINC000892882393	613886197	/nfs/dbraw/zinc/88/61/97/613886197.db2.gz	KTBKKQGBHWDBMY-LPEHRKFASA-N	-1	0	259.327	0.434	20	30		CCEDRM
CC(C)(C)N1CCC[C@H](C(=O)N[C@H]2CCN(O)C2=O)C1=O	ZINC000820119974	613925867	/nfs/dbraw/zinc/92/58/67/613925867.db2.gz	JGGARAPMEOTDHH-ZJUUUORDSA-N	-1	0	297.355	0.130	20	30		CCEDRM
CC(C)NC(=O)C(C#N)=C([O-])c1ccnc2c1nnn2C	ZINC000802041870	613930793	/nfs/dbraw/zinc/93/07/93/613930793.db2.gz	HQAQIUWJOGAKDU-VIFPVBQESA-N	-1	0	286.295	0.210	20	30		CCEDRM
CC(C)(C)NC(=O)COC(=O)[C@@](C)(C#N)CC(=O)[O-]	ZINC000819908456	613948823	/nfs/dbraw/zinc/94/88/23/613948823.db2.gz	DSHHKNZKCLHASR-GFCCVEGCSA-N	-1	0	270.285	0.449	20	30		CCEDRM
CC(C)(C)OC(=O)CCNC(=O)[C@](C)(C#N)CC(=O)[O-]	ZINC000819915287	613965272	/nfs/dbraw/zinc/96/52/72/613965272.db2.gz	XSXZBXQGMHBAKG-ZDUSSCGKSA-N	-1	0	284.312	0.839	20	30		CCEDRM
CC(C)OC(=O)CCNC(=O)[C@](C)(C#N)CC(=O)[O-]	ZINC000820029512	613988729	/nfs/dbraw/zinc/98/87/29/613988729.db2.gz	DCZOPSVQSZCWPY-LBPRGKRZSA-N	-1	0	270.285	0.449	20	30		CCEDRM
CC(C)(C)OCCS(=O)(=O)[N-]C(=O)CCCC#N	ZINC000835917035	614011736	/nfs/dbraw/zinc/01/17/36/614011736.db2.gz	UVPCAUVAZCDMCX-UHFFFAOYSA-N	-1	0	276.358	0.941	20	30		CCEDRM
CC(C)(C)n1cnc(C([O-])=C(C#N)C(=O)N2CCCC2)n1	ZINC000813058225	614065250	/nfs/dbraw/zinc/06/52/50/614065250.db2.gz	GATXCAYOPOFNKK-SNVBAGLBSA-N	-1	0	289.339	0.978	20	30		CCEDRM
CC(C)[C@@H](C#N)N1CCN(C(=O)[C@H](C)CC(=O)[O-])CC1	ZINC000827264198	614071435	/nfs/dbraw/zinc/07/14/35/614071435.db2.gz	XJAWVEILGVXJRX-VXGBXAGGSA-N	-1	0	281.356	0.790	20	30		CCEDRM
CC(C)(CCCO)CNC(=O)[C@@](C)(C#N)CC(=O)[O-]	ZINC000819948414	614083164	/nfs/dbraw/zinc/08/31/64/614083164.db2.gz	UYMDCGFNVMKIIU-CYBMUJFWSA-N	-1	0	270.329	0.906	20	30		CCEDRM
CC(C)(CNC(=O)[O-])C(=O)N1CCO[C@@H](C#N)C1	ZINC000823952743	614102417	/nfs/dbraw/zinc/10/24/17/614102417.db2.gz	UGJXJJMMHYZBNA-QMMMGPOBSA-N	-1	0	255.274	0.031	20	30		CCEDRM
CC(C)[C@H](C#N)NC(=O)COC1CN(C(=O)[O-])C1	ZINC000824056070	614187255	/nfs/dbraw/zinc/18/72/55/614187255.db2.gz	JUAZKMAZMJIXFM-VIFPVBQESA-N	-1	0	255.274	0.030	20	30		CCEDRM
CC(C)C[C@H](CNC(=O)[O-])NC(=O)N1CCO[C@H](C#N)C1	ZINC000824188616	614215848	/nfs/dbraw/zinc/21/58/48/614215848.db2.gz	CYBPOCCCMLMSMA-GHMZBOCLSA-N	-1	0	298.343	0.603	20	30		CCEDRM
CC(C)C[C@H](NC(=O)CN(C)[C@@H](C)CC#N)C(=O)[O-]	ZINC000826788148	614218615	/nfs/dbraw/zinc/21/86/15/614218615.db2.gz	VMVIBVDITGAYRF-QWRGUYRKSA-N	-1	0	269.345	0.836	20	30		CCEDRM
CC(C)N(C)c1ccc(C=Nn2c(=O)[n-][nH]c2=O)cn1	ZINC000814232549	614285234	/nfs/dbraw/zinc/28/52/34/614285234.db2.gz	BGHLORURDGISJI-UHFFFAOYSA-N	-1	0	276.300	0.811	20	30		CCEDRM
CC(C)[C@](C)(C#N)NC(=O)COC(=O)C[C@H](C)NC(=O)[O-]	ZINC000824727439	614286291	/nfs/dbraw/zinc/28/62/91/614286291.db2.gz	HVWYSCKPPSKYEF-ZANVPECISA-N	-1	0	299.327	0.630	20	30		CCEDRM
CC(C)(C#N)CS(=O)(=O)[N-][C@@H](CCO)C(F)(F)F	ZINC000919960774	614287836	/nfs/dbraw/zinc/28/78/36/614287836.db2.gz	AAASJZOAESRXLS-ZETCQYMHSA-N	-1	0	288.291	0.769	20	30		CCEDRM
CC(C)c1nnc(COC(=O)[C@](C)(C#N)CC(=O)[O-])n1C	ZINC000820061214	614335480	/nfs/dbraw/zinc/33/54/80/614335480.db2.gz	ABHXDLDCTAJTFZ-ZDUSSCGKSA-N	-1	0	294.311	0.986	20	30		CCEDRM
CC1(C#N)CCN(C(=O)NC2CN(C(=O)[O-])C2)CC1	ZINC000833551025	614422273	/nfs/dbraw/zinc/42/22/73/614422273.db2.gz	FYOIANYMUTZXBV-UHFFFAOYSA-N	-1	0	266.301	0.684	20	30		CCEDRM
CC1(C#N)CN(S(=O)(=O)c2cccc(CC(=O)[O-])c2)C1	ZINC000871953985	614422702	/nfs/dbraw/zinc/42/27/02/614422702.db2.gz	BYVAVDDPLZLOHZ-UHFFFAOYSA-N	-1	0	294.332	0.848	20	30		CCEDRM
CCC[C@](C)(O)CNC(=O)[C@@](C)(C#N)CC(=O)[O-]	ZINC000820303790	614451931	/nfs/dbraw/zinc/45/19/31/614451931.db2.gz	KOCRNGJSNRAMSV-NEPJUHHUSA-N	-1	0	256.302	0.658	20	30		CCEDRM
CC1(C(=O)[O-])CN(C(=O)[C@@]2(C#N)CCCOC2)C1	ZINC000923088087	614494825	/nfs/dbraw/zinc/49/48/25/614494825.db2.gz	DSWJAHQMTNDJOI-GFCCVEGCSA-N	-1	0	252.270	0.240	20	30		CCEDRM
CCCCCCCS(=O)(=O)NC[C@@](C)(O)C(=O)[O-]	ZINC000841783049	614904017	/nfs/dbraw/zinc/90/40/17/614904017.db2.gz	KHJOIIHOFPJFIN-LLVKDONJSA-N	-1	0	281.374	0.712	20	30		CCEDRM
CCN(CC1CCN(CC(=O)NCCC#N)CC1)C(=O)[O-]	ZINC000827092639	615020340	/nfs/dbraw/zinc/02/03/40/615020340.db2.gz	FZDKBKRNIUZINN-UHFFFAOYSA-N	-1	0	296.371	0.728	20	30		CCEDRM
CCN(C[C@@H](C)C#N)C(=O)CN1CCC[C@H]1CNC(=O)[O-]	ZINC000827019617	615061606	/nfs/dbraw/zinc/06/16/06/615061606.db2.gz	AQMWNXLCGYUKIY-RYUDHWBXSA-N	-1	0	296.371	0.727	20	30		CCEDRM
CCN1CCN(C(=O)[C@@](C)(C#N)CC(=O)[O-])C[C@H]1C	ZINC000820353950	615151975	/nfs/dbraw/zinc/15/19/75/615151975.db2.gz	IWRNCYBRTDUGSL-ZWNOBZJWSA-N	-1	0	267.329	0.544	20	30		CCEDRM
CCOC(=O)CCC(=O)N1CCN(C(=O)[O-])C[C@@H]1C#N	ZINC000827307192	615171657	/nfs/dbraw/zinc/17/16/57/615171657.db2.gz	ZVZTWIXHJPBMTL-VIFPVBQESA-N	-1	0	283.284	0.044	20	30		CCEDRM
CCOC(=O)c1ccc(C([O-])=C(C#N)C(=O)NC)nc1	ZINC000815911478	615181322	/nfs/dbraw/zinc/18/13/22/615181322.db2.gz	CNMBDTLXORZABE-VIFPVBQESA-N	-1	0	275.264	0.327	20	30		CCEDRM
CCO[N-]C(=O)CNC(=O)c1cc(C#N)cs1	ZINC000846493777	615370772	/nfs/dbraw/zinc/37/07/72/615370772.db2.gz	FXNUGWFZKRDYEI-UHFFFAOYSA-N	-1	0	253.283	0.417	20	30		CCEDRM
CCO[N-]C(=O)CNC(=O)c1sccc1C#N	ZINC000846495918	615373164	/nfs/dbraw/zinc/37/31/64/615373164.db2.gz	GECAQNXSKGHOIX-UHFFFAOYSA-N	-1	0	253.283	0.417	20	30		CCEDRM
CCO[C@@H](C(=O)[N-]S(=O)(=O)CCC#N)C1CC1	ZINC000860752291	615393113	/nfs/dbraw/zinc/39/31/13/615393113.db2.gz	LKHXMVNETJHGLN-SECBINFHSA-N	-1	0	260.315	0.161	20	30		CCEDRM
CCO[C@H](C)c1noc(CN(CC#N)CC(=O)[O-])n1	ZINC000829908514	615477946	/nfs/dbraw/zinc/47/79/46/615477946.db2.gz	ZGQIBXHASYXBEP-MRVPVSSYSA-N	-1	0	268.273	0.577	20	30		CCEDRM
CC[C@@H](NC(=O)Nc1ccn(CCC#N)n1)C(=O)[O-]	ZINC000818293401	615529262	/nfs/dbraw/zinc/52/92/62/615529262.db2.gz	KIOIMLPUYDTCJA-MRVPVSSYSA-N	-1	0	265.273	0.781	20	30		CCEDRM
CC[C@@H](NN=C1C(=O)Nc2c1cccc2OC)C(=O)[O-]	ZINC000842533965	615536183	/nfs/dbraw/zinc/53/61/83/615536183.db2.gz	XTGWAMJENCUHLC-MRVPVSSYSA-N	-1	0	277.280	0.804	20	30		CCEDRM
CC[C@@](C)(C#N)C(=O)N1CC[C@](OC)(C(=O)[O-])C1	ZINC000923098702	615587916	/nfs/dbraw/zinc/58/79/16/615587916.db2.gz	NZCUPDVFLOCJGH-NWDGAFQWSA-N	-1	0	254.286	0.628	20	30		CCEDRM
CC[C@@]1(C)NC(=O)N(N=CCCNC(=O)[O-])C1=O	ZINC000826645190	615598065	/nfs/dbraw/zinc/59/80/65/615598065.db2.gz	QDHMXQPGNQTXHB-SNVBAGLBSA-N	-1	0	256.262	0.350	20	30		CCEDRM
CCc1cccc2c1NC(=O)C2=NNCCC(=O)[O-]	ZINC000820485981	615684794	/nfs/dbraw/zinc/68/47/94/615684794.db2.gz	ZNEPDPWMRSRHKP-UHFFFAOYSA-N	-1	0	261.281	0.970	20	30		CCEDRM
CCc1ccccc1OCC(=O)[N-]S(=O)(=O)CCC#N	ZINC000821582231	615688540	/nfs/dbraw/zinc/68/85/40/615688540.db2.gz	HSIJEFRZUGIAST-UHFFFAOYSA-N	-1	0	296.348	0.987	20	30		CCEDRM
CCn1ncc(C([O-])=C(C#N)C(=O)NCCCOC)c1C	ZINC000870134005	615694500	/nfs/dbraw/zinc/69/45/00/615694500.db2.gz	HYDMWCUJXNWIHB-NSHDSACASA-N	-1	0	292.339	0.687	20	30		CCEDRM
CC[C@H](O)CNN=Cc1cc([O-])ccc1[N+](=O)[O-]	ZINC000811655981	615830363	/nfs/dbraw/zinc/83/03/63/615830363.db2.gz	CELTXUUEQBETNH-VIFPVBQESA-N	-1	0	253.258	0.995	20	30		CCEDRM
CN(C(=O)[O-])[C@@H]1CCN(C(=O)C2(C#N)CCC2)C1	ZINC000827834829	615843409	/nfs/dbraw/zinc/84/34/09/615843409.db2.gz	ACBPRCVVEJGDFY-SECBINFHSA-N	-1	0	251.286	0.891	20	30		CCEDRM
CCn1cc(S(=O)(=O)[N-]C(=O)CCCCC#N)cn1	ZINC000847659089	616010687	/nfs/dbraw/zinc/01/06/87/616010687.db2.gz	YPAXCATUFTYBNF-UHFFFAOYSA-N	-1	0	284.341	0.792	20	30		CCEDRM
CN(CC(=O)OC1CCN(CC#N)CC1)C(=O)[O-]	ZINC000828120564	616050164	/nfs/dbraw/zinc/05/01/64/616050164.db2.gz	RMOUYLWAPMPFMV-UHFFFAOYSA-N	-1	0	255.274	0.127	20	30		CCEDRM
CN(CCCNC(=O)[O-])C(=O)c1cc(C#N)c[nH]1	ZINC000828302212	616075152	/nfs/dbraw/zinc/07/51/52/616075152.db2.gz	NOBCPEOKHDWACN-UHFFFAOYSA-N	-1	0	250.258	0.616	20	30		CCEDRM
CN(Cc1n[nH]c(=O)[n-]1)C[C@@H](O)c1cccc(C#N)c1	ZINC000844365801	616102853	/nfs/dbraw/zinc/10/28/53/616102853.db2.gz	IMWWEEVPSBWDMT-LLVKDONJSA-N	-1	0	273.296	0.547	20	30		CCEDRM
CN1C(=O)CN(N=Cc2cccc(C(=O)[O-])c2)C1=O	ZINC000814891716	616136412	/nfs/dbraw/zinc/13/64/12/616136412.db2.gz	QVZRZQIOASWOPE-UHFFFAOYSA-N	-1	0	261.237	0.613	20	30		CCEDRM
COC(=O)c1oc(C([O-])=C(C#N)C(=O)NC2CC2)cc1C	ZINC000860474255	616279892	/nfs/dbraw/zinc/27/98/92/616279892.db2.gz	XPHNPOYAPLLVTH-VIFPVBQESA-N	-1	0	290.275	0.976	20	30		CCEDRM
COC(C)(C)CCS(=O)(=O)[N-]C(=O)CC1(C#N)CC1	ZINC000816049226	616293779	/nfs/dbraw/zinc/29/37/79/616293779.db2.gz	AGJZVOKJEOWMKM-UHFFFAOYSA-N	-1	0	288.369	0.941	20	30		CCEDRM
COC(=O)C(C)(C)CS(=O)(=O)[N-]C(=O)CCCC#N	ZINC000813100185	616339187	/nfs/dbraw/zinc/33/91/87/616339187.db2.gz	OVTNMHAUXBGBDV-UHFFFAOYSA-N	-1	0	290.341	0.325	20	30		CCEDRM
COC(=O)C1(CNC(=O)[C@@](C)(C#N)CC(=O)[O-])CCCC1	ZINC000820653540	616359933	/nfs/dbraw/zinc/35/99/33/616359933.db2.gz	LZTURMTZZRJBOM-CYBMUJFWSA-N	-1	0	296.323	0.841	20	30		CCEDRM
COCCNC(=O)C(C#N)=C([O-])c1ccc2c(c1)OCO2	ZINC000916889373	616496594	/nfs/dbraw/zinc/49/65/94/616496594.db2.gz	PPJXUBUCGKHNCM-SNVBAGLBSA-N	-1	0	290.275	0.500	20	30		CCEDRM
COC(=O)CCCO[N-]C(=O)[C@]1(C#N)CCCOC1	ZINC000880022569	616540119	/nfs/dbraw/zinc/54/01/19/616540119.db2.gz	SGYNSYBPCGSSGN-LBPRGKRZSA-N	-1	0	270.285	0.308	20	30		CCEDRM
COC(=O)CCS(=O)(=O)[N-]C(=O)CCCCC#N	ZINC000847707906	616566141	/nfs/dbraw/zinc/56/61/41/616566141.db2.gz	BUSIWJSLFJGEJC-UHFFFAOYSA-N	-1	0	276.314	0.079	20	30		CCEDRM
COC(=O)CN(CC(=O)[O-])C(=O)c1cc(C#N)cs1	ZINC000831170529	616588900	/nfs/dbraw/zinc/58/89/00/616588900.db2.gz	ORWMPHACERDDSH-UHFFFAOYSA-N	-1	0	282.277	0.320	20	30		CCEDRM
COCCOc1ccc(C=Nn2c(=O)[n-][nH]c2=O)cc1	ZINC000814233562	616590770	/nfs/dbraw/zinc/59/07/70/616590770.db2.gz	WEHBCZHTOKYHRW-UHFFFAOYSA-N	-1	0	278.268	0.597	20	30		CCEDRM
COC[C@H](C)[C@H](C)C(=O)[N-]S(=O)(=O)CC(C)(C)C#N	ZINC000813081541	616637201	/nfs/dbraw/zinc/63/72/01/616637201.db2.gz	ORPKELANTRQBLC-UWVGGRQHSA-N	-1	0	290.385	0.901	20	30		CCEDRM
COC(=O)[C@H](c1cccc(C#N)c1)N(C)CC(=O)[O-]	ZINC000820653523	616644439	/nfs/dbraw/zinc/64/44/39/616644439.db2.gz	LFDDPAYQQAVPBH-LBPRGKRZSA-N	-1	0	262.265	0.789	20	30		CCEDRM
COCCn1c(=O)cc([O-])nc1S[C@H](C)C#N	ZINC000901656308	616714345	/nfs/dbraw/zinc/71/43/45/616714345.db2.gz	YGMSNQXSNMMWOG-SSDOTTSWSA-N	-1	0	255.299	0.599	20	30		CCEDRM
COCC(COC)NN=Cc1cc(C(=O)[O-])ccc1OC	ZINC000901269429	616736451	/nfs/dbraw/zinc/73/64/51/616736451.db2.gz	LGJKSWHDOAKNQB-UHFFFAOYSA-N	-1	0	296.323	0.978	20	30		CCEDRM
COCC1(C(=O)[N-]S(=O)(=O)CCCC#N)CCCC1	ZINC000838850698	616749401	/nfs/dbraw/zinc/74/94/01/616749401.db2.gz	SHCAQMZSBGCROH-UHFFFAOYSA-N	-1	0	288.369	0.943	20	30		CCEDRM
CNC(=O)C(C#N)=C([O-])c1cc(C)nc2c1c(C)nn2C	ZINC000917002626	616777303	/nfs/dbraw/zinc/77/73/03/616777303.db2.gz	MJNYEALPFJXISO-JTQLQIEISA-N	-1	0	285.307	0.654	20	30		CCEDRM
CNC(=O)C(C#N)=C([O-])c1ccc(F)c(OC)c1	ZINC000121738974	616777359	/nfs/dbraw/zinc/77/73/59/616777359.db2.gz	SWUODKWDWSQHQC-QMMMGPOBSA-N	-1	0	250.229	0.903	20	30		CCEDRM
CNC(=O)C(C#N)=C([O-])c1cnn(CC(C)C)c1C	ZINC000155592536	616778130	/nfs/dbraw/zinc/77/81/30/616778130.db2.gz	MUSBQWSFPBAWMP-JTQLQIEISA-N	-1	0	262.313	0.916	20	30		CCEDRM
COC[C@](C)(NC(=O)[C@H](O)c1ccc(C#N)cc1)C(=O)[O-]	ZINC000833720535	616830801	/nfs/dbraw/zinc/83/08/01/616830801.db2.gz	ATOWXHHVGDJUKY-RISCZKNCSA-N	-1	0	292.291	0.198	20	30		CCEDRM
CNC(=O)C(C#N)=C([O-])c1ccnc(O[C@H]2CCOC2)c1	ZINC000755613245	616839431	/nfs/dbraw/zinc/83/94/31/616839431.db2.gz	OPSKNYDETVBXCV-WDEREUQCSA-N	-1	0	289.291	0.318	20	30		CCEDRM
CNC(=O)C(C#N)=C([O-])c1ccc(N2CCNC2=O)cc1	ZINC000917005211	616839474	/nfs/dbraw/zinc/83/94/74/616839474.db2.gz	OHEVUFFTTJWQLG-LLVKDONJSA-N	-1	0	286.291	0.285	20	30		CCEDRM
CNC(=O)C(C#N)=C([O-])c1ccnc(OCC(F)F)c1	ZINC000136792537	616839622	/nfs/dbraw/zinc/83/96/22/616839622.db2.gz	LUCFRVJWNDKOQS-MRVPVSSYSA-N	-1	0	283.234	0.794	20	30		CCEDRM
COCCCCC(=O)N1CCN(C(=O)[O-])C[C@H]1C#N	ZINC000828944826	616857172	/nfs/dbraw/zinc/85/71/72/616857172.db2.gz	IMSGVTDVDUPYHS-SNVBAGLBSA-N	-1	0	269.301	0.517	20	30		CCEDRM
COCCCNC(=O)C(C#N)=C([O-])c1ccc(OC)o1	ZINC000847621498	616898409	/nfs/dbraw/zinc/89/84/09/616898409.db2.gz	MSUQWKWJKSPDDI-VIFPVBQESA-N	-1	0	280.280	0.763	20	30		CCEDRM
COC(=O)[C@@H](C)n1cccc1C=NNCCC(=O)[O-]	ZINC000820653329	616952357	/nfs/dbraw/zinc/95/23/57/616952357.db2.gz	FEOSSPGSCKZWDM-SECBINFHSA-N	-1	0	267.285	0.620	20	30		CCEDRM
CO[C@H](C(=O)[O-])C(=O)N(C)CCc1cccc(C#N)c1	ZINC000902408903	616989364	/nfs/dbraw/zinc/98/93/64/616989364.db2.gz	HEVOSDDKQGAJRW-LBPRGKRZSA-N	-1	0	276.292	0.659	20	30		CCEDRM
COC[C@H](C#N)OC(=O)CN(C[C@@H]1CCCO1)C(=O)[O-]	ZINC000833882885	617046735	/nfs/dbraw/zinc/04/67/35/617046735.db2.gz	QHXKKTXROKFABJ-UWVGGRQHSA-N	-1	0	286.284	0.227	20	30		CCEDRM
CO[C@H](C)CS(=O)(=O)[N-][C@H](CC#N)C(F)(F)F	ZINC000901772404	617076795	/nfs/dbraw/zinc/07/67/95/617076795.db2.gz	RVMSMAQAYGAEDY-RNFRBKRXSA-N	-1	0	274.264	0.785	20	30		CCEDRM
CO[N-]C(=O)CNC(=O)[C@@]1(C#N)CC2CCC1CC2	ZINC000832741077	617115573	/nfs/dbraw/zinc/11/55/73/617115573.db2.gz	JLWONIMSCYOFOL-SRHKJQAYSA-N	-1	0	265.313	0.500	20	30		CCEDRM
CO[C@@H](C(=O)[O-])C(=O)NCc1cc(C#N)ccc1F	ZINC000902812221	617128694	/nfs/dbraw/zinc/12/86/94/617128694.db2.gz	PODXMDRHCQSFMQ-SNVBAGLBSA-N	-1	0	266.228	0.413	20	30		CCEDRM
COc1cc(C(=O)[N-]S(C)(=O)=O)cc(OC)c1OC	ZINC000042279928	617151345	/nfs/dbraw/zinc/15/13/45/617151345.db2.gz	HXMNRTSNHVKEEK-UHFFFAOYSA-N	-1	0	289.309	0.977	20	30		CCEDRM
CO[C@@H](C)CS(=O)(=O)[N-]C(=O)c1cccc(C#N)n1	ZINC000810721888	617159359	/nfs/dbraw/zinc/15/93/59/617159359.db2.gz	GZMMGXOJUMYDDE-QMMMGPOBSA-N	-1	0	283.309	0.048	20	30		CCEDRM
CO[C@@H](C)c1noc(COC(=O)[C@@](C)(C#N)CC(=O)[O-])n1	ZINC000820697045	617161111	/nfs/dbraw/zinc/16/11/11/617161111.db2.gz	RATNPIJQSLFMNE-JVXZTZIISA-N	-1	0	297.267	0.825	20	30		CCEDRM
CO[C@@H](CC(C)C)C(=O)[N-]S(=O)(=O)CCCC#N	ZINC000842327874	617162177	/nfs/dbraw/zinc/16/21/77/617162177.db2.gz	AQQMWGVDMZVDOP-JTQLQIEISA-N	-1	0	276.358	0.797	20	30		CCEDRM
C[C@H](O)CN(C)N=Cc1cccc(OCC(=O)[O-])c1	ZINC000841654306	625479830	/nfs/dbraw/zinc/47/98/30/625479830.db2.gz	SIQYOMLAVRTHPG-JTQLQIEISA-N	-1	0	266.297	0.797	20	30		CCEDRM
C#CCCCNC(=O)N1CCSC[C@H]1C(=O)[O-]	ZINC000229853735	623569484	/nfs/dbraw/zinc/56/94/84/623569484.db2.gz	RFUDIUUQEJOKDZ-VIFPVBQESA-N	-1	0	256.327	0.611	20	30		CCEDRM
C#CC[N@H+](C)CCCNC(=O)C1(C(=O)[O-])CCC1	ZINC000328320021	623877445	/nfs/dbraw/zinc/87/74/45/623877445.db2.gz	YWAJKFGIZLOYEJ-UHFFFAOYSA-N	-1	0	252.314	0.313	20	30		CCEDRM
N#Cc1cc(O)cc(C(=O)N2CC[C@H](O)[C@H](F)C2)c1	ZINC000890693192	624563308	/nfs/dbraw/zinc/56/33/08/624563308.db2.gz	ZYNIGLYGFFHCDW-NEPJUHHUSA-N	-1	0	264.256	0.809	20	30		CCEDRM
N#Cc1cc(O)cc(C(=O)N2CC[C@@H](O)[C@H](F)C2)c1	ZINC000890693217	624563551	/nfs/dbraw/zinc/56/35/51/624563551.db2.gz	ZYNIGLYGFFHCDW-VXGBXAGGSA-N	-1	0	264.256	0.809	20	30		CCEDRM
Cc1oc(C)c(S(=O)(=O)NCCC#N)c1C(=O)[O-]	ZINC000054156446	624644720	/nfs/dbraw/zinc/64/47/20/624644720.db2.gz	FUFJDWRQVIPCDG-UHFFFAOYSA-N	-1	0	272.282	0.787	20	30		CCEDRM
C#CCCCCC(=O)NCCn1cc(C(=O)[O-])nn1	ZINC000236473739	625013022	/nfs/dbraw/zinc/01/30/22/625013022.db2.gz	PSBRXIQNJUDIRK-UHFFFAOYSA-N	-1	0	264.285	0.286	20	30		CCEDRM
CCc1cc(C([O-])=C(C#N)C(=O)N2CCCC2)n[nH]1	ZINC000124886060	625727285	/nfs/dbraw/zinc/72/72/85/625727285.db2.gz	BGIZGUTVVXYTJT-JTQLQIEISA-N	-1	0	260.297	0.917	20	30		CCEDRM
Cn1ncc(C(=O)[O-])c1C(=O)N1CCC[C@H](C#N)C1	ZINC000902832070	634470303	/nfs/dbraw/zinc/47/03/03/634470303.db2.gz	IUWBCRHTUJWYEF-MRVPVSSYSA-N	-1	0	262.269	0.494	20	30		CCEDRM
C#CCN1CCC[C@H]1CNC(=O)c1[nH]nc(C)c1[O-]	ZINC001027829644	630955660	/nfs/dbraw/zinc/95/56/60/630955660.db2.gz	GGXNHHLTXXYWHE-JTQLQIEISA-N	-1	0	262.313	0.251	20	30		CCEDRM
O=[N+]([O-])c1ccc([O-])c(C=NN2CCOCC2)c1	ZINC000254704153	631566548	/nfs/dbraw/zinc/56/65/48/631566548.db2.gz	BEDZXANQXLWQBM-UHFFFAOYSA-N	-1	0	251.242	0.967	20	30		CCEDRM
Cc1nc2ccccn2c1C=Nn1c(=O)[n-][nH]c1=O	ZINC000814233538	631595545	/nfs/dbraw/zinc/59/55/45/631595545.db2.gz	VDAGAXZADITHJG-UHFFFAOYSA-N	-1	0	258.241	0.528	20	30		CCEDRM
C=CCCO[C@@H](C)C(=O)N[C@](C)(COC)CC(=O)[O-]	ZINC000262058790	631834454	/nfs/dbraw/zinc/83/44/54/631834454.db2.gz	GTAPADIYAORASX-GWCFXTLKSA-N	-1	0	273.329	0.964	20	30		CCEDRM
C=C(Br)CNC(=O)N1C[C@H](O)C[C@@H]1C(=O)[O-]	ZINC000163553165	633597009	/nfs/dbraw/zinc/59/70/09/633597009.db2.gz	IKRIEBLGWYORTJ-RNFRBKRXSA-N	-1	0	293.117	0.124	20	30		CCEDRM
Cn1nc(C(=O)[O-])cc1C=NN[C@@H]1CCSC1	ZINC000901238579	634213071	/nfs/dbraw/zinc/21/30/71/634213071.db2.gz	FXOBKHUPNUZECE-SSDOTTSWSA-N	-1	0	254.315	0.547	20	30		CCEDRM
Cn1nc(C(=O)[O-])cc1C=NNC[C@@H]1CCSC1	ZINC000901244320	634213871	/nfs/dbraw/zinc/21/38/71/634213871.db2.gz	RLTBXLGRQJIGAZ-QMMMGPOBSA-N	-1	0	268.342	0.795	20	30		CCEDRM
Cc1c(S(=O)(=O)N[C@H](CC#N)C(F)(F)F)cnn1C	ZINC000901771382	634275952	/nfs/dbraw/zinc/27/59/52/634275952.db2.gz	IWGPBIRAXNPTLN-MRVPVSSYSA-N	-1	0	296.274	0.851	20	30		CCEDRM
N#CCCCS(=O)(=O)N1CC[C@@]2(C(=O)[O-])CCC[C@@H]12	ZINC000906003687	634947244	/nfs/dbraw/zinc/94/72/44/634947244.db2.gz	MVACPAFKWNPASA-PWSUYJOCSA-N	-1	0	286.353	0.949	20	30		CCEDRM
C#CCSCCNC(=O)N[C@@H](COCC=C)C(=O)[O-]	ZINC000909051512	635504326	/nfs/dbraw/zinc/50/43/26/635504326.db2.gz	AWATZTHLLMJKNE-JTQLQIEISA-N	-1	0	286.353	0.308	20	30		CCEDRM
C#C[C@@H](CCC)NC(=O)c1ccnc2c(C(=O)[O-])cnn21	ZINC000911611064	636302973	/nfs/dbraw/zinc/30/29/73/636302973.db2.gz	HJLUYBGZWVZISA-VIFPVBQESA-N	-1	0	286.291	0.959	20	30		CCEDRM
C=C(Cl)CN1CC[C@H](NC(=O)c2[nH]nc(C)c2[O-])C1	ZINC001010633688	650247848	/nfs/dbraw/zinc/24/78/48/650247848.db2.gz	BESZGJBIRHNSCF-VIFPVBQESA-N	-1	0	284.747	0.980	20	30		CCEDRM
C=CC[C@@H](CO)CNC(=O)C12CC(C(=O)[O-])(C1)C2	ZINC000911652046	636334500	/nfs/dbraw/zinc/33/45/00/636334500.db2.gz	XWFCUJAISLOTCH-UHEGKEBESA-N	-1	0	253.298	0.542	20	30		CCEDRM
C[Si](C)(C)C#CCCNC(=O)CCc1nnn[n-]1	ZINC000912330108	636547709	/nfs/dbraw/zinc/54/77/09/636547709.db2.gz	FDGWWNHBOMRVEJ-UHFFFAOYSA-N	-1	0	265.393	0.519	20	30		CCEDRM
C[C@@H]1C(=O)N([N-]C(=O)c2sccc2C#N)C(=O)N1C	ZINC000912824021	636680104	/nfs/dbraw/zinc/68/01/04/636680104.db2.gz	LTFUHFOIBFJIET-ZCFIWIBFSA-N	-1	0	278.293	0.547	20	30		CCEDRM
CC(C)S(=O)(=O)[N-]C(=O)Cc1ccc(OCC#N)cc1	ZINC000171797914	637147459	/nfs/dbraw/zinc/14/74/59/637147459.db2.gz	BGXNVULHVUNYAR-UHFFFAOYSA-N	-1	0	296.348	0.986	20	30		CCEDRM
C=C[C@](C)(O)CC(=O)N1CCC(c2nnn[n-]2)CC1	ZINC000913744866	637427639	/nfs/dbraw/zinc/42/76/39/637427639.db2.gz	HZOXDGXMHOLKNA-LBPRGKRZSA-N	-1	0	265.317	0.233	20	30		CCEDRM
Cc1noc(C[N-]S(=O)(=O)c2cccc(F)c2C#N)n1	ZINC000070398169	638484070	/nfs/dbraw/zinc/48/40/70/638484070.db2.gz	VACPTTUGMHSKGX-UHFFFAOYSA-N	-1	0	296.283	0.867	20	30		CCEDRM
Cc1ncc(Cl)c(C(=O)N[C@@H]2CCN(O)C2=O)n1	ZINC000820156833	638865376	/nfs/dbraw/zinc/86/53/76/638865376.db2.gz	OMFZTUAMRGIDNM-SSDOTTSWSA-N	-1	0	270.676	0.158	20	30		CCEDRM
C[C@H](NC(=O)c1cnc[nH]c1=O)C1CCN(CC#N)CC1	ZINC000997632872	638879124	/nfs/dbraw/zinc/87/91/24/638879124.db2.gz	DQBVTJUNZUDVJH-JTQLQIEISA-N	-1	0	289.339	0.536	20	30		CCEDRM
Cc1cccn2c(=O)c(C(=O)[N-]S(C)(=O)=O)cnc12	ZINC000091104450	638927248	/nfs/dbraw/zinc/92/72/48/638927248.db2.gz	ZMVHOLRALVVUEJ-UHFFFAOYSA-N	-1	0	281.293	0.267	20	30		CCEDRM
C[C@@H](CN(C)C(=O)[C@@]1(C#N)CCCOC1)C(=O)[O-]	ZINC000923063233	640013039	/nfs/dbraw/zinc/01/30/39/640013039.db2.gz	WVEWIEWXCIVYKJ-JOYOIKCWSA-N	-1	0	254.286	0.486	20	30		CCEDRM
C[C@@]1(C(=O)[O-])CN(C(=O)C2(C#N)CCC2)CCO1	ZINC000923099801	640022064	/nfs/dbraw/zinc/02/20/64/640022064.db2.gz	GRLXLPXCTFAWRX-NSHDSACASA-N	-1	0	252.270	0.382	20	30		CCEDRM
C[C@]1(C(=O)[N-]S(=O)(=O)CCCC#N)CCOC1	ZINC000755810523	640336348	/nfs/dbraw/zinc/33/63/48/640336348.db2.gz	VQIFMEFVGBLBCJ-JTQLQIEISA-N	-1	0	260.315	0.163	20	30		CCEDRM
Cn1cnc(C([O-])=C(C#N)C(=O)NCc2ccccc2)n1	ZINC000810529766	640936604	/nfs/dbraw/zinc/93/66/04/640936604.db2.gz	NODQGRWBOHTFPX-NSHDSACASA-N	-1	0	283.291	0.454	20	30		CCEDRM
CC#CCS(=O)(=O)[N-]C(=O)c1scnc1COC	ZINC000810772697	640948678	/nfs/dbraw/zinc/94/86/78/640948678.db2.gz	AYWKNOIPNPJPDJ-UHFFFAOYSA-N	-1	0	288.350	0.372	20	30		CCEDRM
N#Cc1ccc(C(=O)NCC(=O)[N-]OC2CCC2)cc1	ZINC000812791121	641012243	/nfs/dbraw/zinc/01/22/43/641012243.db2.gz	PFIGJFUOXCLRAF-UHFFFAOYSA-N	-1	0	273.292	0.888	20	30		CCEDRM
O=c1[n-][nH]c(=O)n1N=Cc1cc(F)c(F)c(F)c1	ZINC000814232008	641062421	/nfs/dbraw/zinc/06/24/21/641062421.db2.gz	KFQFJXDQXUBZPP-UHFFFAOYSA-N	-1	0	258.159	0.989	20	30		CCEDRM
C[C@@H](C#N)Oc1ccc(C=Nn2c(=O)[n-][nH]c2=O)cc1	ZINC000814233340	641062545	/nfs/dbraw/zinc/06/25/45/641062545.db2.gz	LQNOPFNFJLUROH-QMMMGPOBSA-N	-1	0	273.252	0.862	20	30		CCEDRM
Cn1ncc(C=[NH+][N-]c2ccc(C(=O)[O-])cn2)c1N	ZINC000814890441	641081248	/nfs/dbraw/zinc/08/12/48/641081248.db2.gz	OOYAMFOKQMAOQF-UHFFFAOYSA-N	-1	0	260.257	0.542	20	30		CCEDRM
C[C@H]1C(=NN2CC(=O)N(C)C2=O)CC[C@@H]1CC(=O)[O-]	ZINC000814891978	641081278	/nfs/dbraw/zinc/08/12/78/641081278.db2.gz	YZFFARPYXIUMOA-HTQZYQBOSA-N	-1	0	267.285	0.757	20	30		CCEDRM
N#CC1(CC(=O)[N-]S(=O)(=O)CC(F)(F)F)CC1	ZINC000815963945	641132932	/nfs/dbraw/zinc/13/29/32/641132932.db2.gz	RMPWQDJJPWWPIQ-UHFFFAOYSA-N	-1	0	270.232	0.689	20	30		CCEDRM
O=C(N[C@@H]1CCN(O)C1=O)c1cnccc1C(F)(F)F	ZINC000820131517	641464409	/nfs/dbraw/zinc/46/44/09/641464409.db2.gz	JFAOFWPCVLCOFJ-MRVPVSSYSA-N	-1	0	289.213	0.820	20	30		CCEDRM
O=C(N[C@H]1CCCN(O)C1=O)c1cc(F)c([O-])c(F)c1	ZINC000820471057	641508470	/nfs/dbraw/zinc/50/84/70/641508470.db2.gz	LYZWDGGYKCGTPN-VIFPVBQESA-N	-1	0	286.234	0.780	20	30		CCEDRM
Cc1ccc(C(=O)[N-]S(=O)(=O)CCC#N)n1C	ZINC000821583831	641611551	/nfs/dbraw/zinc/61/15/51/641611551.db2.gz	IZPUVJSBYHEMMA-UHFFFAOYSA-N	-1	0	255.299	0.307	20	30		CCEDRM
N#Cc1cccc(O[N-]C(=O)C[C@H]2CCCS2(=O)=O)c1	ZINC000825268719	641878413	/nfs/dbraw/zinc/87/84/13/641878413.db2.gz	WLTQMZMGXVNTDA-GFCCVEGCSA-N	-1	0	294.332	0.936	20	30		CCEDRM
C[C@@H]1CCC[C@H](NC(=O)CN(CC#N)CC(=O)[O-])[C@H]1C	ZINC000828240621	642075672	/nfs/dbraw/zinc/07/56/72/642075672.db2.gz	ZOENJKZAOAHJGU-WOPDTQHZSA-N	-1	0	281.356	0.837	20	30		CCEDRM
NC(=O)CON=C1CCC[C@@H]1[C@H]1COCCN1C(=O)[O-]	ZINC000833984902	642544975	/nfs/dbraw/zinc/54/49/75/642544975.db2.gz	KRRFNNYAEUIDLK-WCBMZHEXSA-N	-1	0	285.300	0.023	20	30		CCEDRM
N#CCCS(=O)(=O)[N-]C(=O)c1occ2c1CCC2	ZINC000835409799	642660876	/nfs/dbraw/zinc/66/08/76/642660876.db2.gz	MOEBXJHIHGFQGU-UHFFFAOYSA-N	-1	0	268.294	0.742	20	30		CCEDRM
C=CCN1C[C@H]2CC[C@@H](C1)N2C(=O)c1n[nH]c(C)c1[O-]	ZINC001017481770	650804882	/nfs/dbraw/zinc/80/48/82/650804882.db2.gz	GFHPAUWDJPMMKJ-PHIMTYICSA-N	-1	0	276.340	0.899	20	30		CCEDRM
N#Cc1cccc(S(=O)(=O)[N-]C(=O)[C@H]2[C@@H]3COC[C@@H]32)c1	ZINC000850740028	643811010	/nfs/dbraw/zinc/81/10/10/643811010.db2.gz	PUIVUUGLQPSICY-GDNZZTSVSA-N	-1	0	292.316	0.256	20	30		CCEDRM
N#CC1(CS(=O)(=O)[N-]C(=O)[C@H]2C[C@H]3C[C@H]3C2)CC1	ZINC000850941127	643823582	/nfs/dbraw/zinc/82/35/82/643823582.db2.gz	WSHPAQQIEQELLB-MYJAWHEDSA-N	-1	0	268.338	0.782	20	30		CCEDRM
Cn1ncc(C2CC2)c1C(=O)[N-]S(=O)(=O)CCC#N	ZINC000851015990	643826517	/nfs/dbraw/zinc/82/65/17/643826517.db2.gz	LMQCWFOAOAVWMR-UHFFFAOYSA-N	-1	0	282.325	0.271	20	30		CCEDRM
C[C@]1(C#N)CCN(C(=O)C(=O)N2CC[C@](C)(C(=O)[O-])C2)C1	ZINC000852915012	644056441	/nfs/dbraw/zinc/05/64/41/644056441.db2.gz	NEQHJXKFVXZQTP-KGLIPLIRSA-N	-1	0	293.323	0.072	20	30		CCEDRM
C[C@@H]1C(=O)N(N=Cc2c[nH]c(C(=O)[O-])c2)C(=O)N1C	ZINC000857215763	644482900	/nfs/dbraw/zinc/48/29/00/644482900.db2.gz	FBRMYWOCTJRCLG-ZCFIWIBFSA-N	-1	0	264.241	0.329	20	30		CCEDRM
C[C@@H]1C(=O)N(N=Cc2ccc([N+](=O)[O-])c([O-])c2)C(=O)N1C	ZINC000857216997	644483047	/nfs/dbraw/zinc/48/30/47/644483047.db2.gz	IGDDINNOMJDCCK-SSDOTTSWSA-N	-1	0	292.251	0.917	20	30		CCEDRM
C#CCCC[N-]S(=O)(=O)c1cc(C(=O)OC)no1	ZINC000859036759	644661509	/nfs/dbraw/zinc/66/15/09/644661509.db2.gz	ZYONBQAJXJYLRV-UHFFFAOYSA-N	-1	0	272.282	0.153	20	30		CCEDRM
C[C@H](CC#N)OC(=O)c1ccc([N-]S(C)(=O)=O)nc1	ZINC000860545827	644809108	/nfs/dbraw/zinc/80/91/08/644809108.db2.gz	ULMHGTIHARUDEA-MRVPVSSYSA-N	-1	0	283.309	0.912	20	30		CCEDRM
C[C@@H](C#N)COC(=O)c1ccc([N-]S(C)(=O)=O)nc1	ZINC000860616353	644815936	/nfs/dbraw/zinc/81/59/36/644815936.db2.gz	NRGQRYXTTSPHNT-QMMMGPOBSA-N	-1	0	283.309	0.770	20	30		CCEDRM
C#CCCCC(=O)[N-]S(=O)(=O)[C@@H]1COC(C)(C)C1	ZINC000861138656	644859454	/nfs/dbraw/zinc/85/94/54/644859454.db2.gz	KUKKUDAIIILKNC-JTQLQIEISA-N	-1	0	273.354	0.803	20	30		CCEDRM
O=C(C[C@@H]1Cc2ccccc2O1)N[C@H]1CCCN(O)C1=O	ZINC000868562513	645786583	/nfs/dbraw/zinc/78/65/83/645786583.db2.gz	GLRHVQUEQPHOKZ-RYUDHWBXSA-N	-1	0	290.319	0.877	20	30		CCEDRM
C[C@@H]1C[C@H](C(=O)[N-]S(=O)(=O)CC(C)(C)C#N)[C@@H](C)O1	ZINC000870270136	645977253	/nfs/dbraw/zinc/97/72/53/645977253.db2.gz	ASSZTPOSURUAGR-BBBLOLIVSA-N	-1	0	288.369	0.796	20	30		CCEDRM
N#Cc1cccc(O[N-]C(=O)[C@H]2CC(=O)N(C3CC3)C2)c1	ZINC000870693942	646018701	/nfs/dbraw/zinc/01/87/01/646018701.db2.gz	ZKXUNUUQSRQLJU-NSHDSACASA-N	-1	0	285.303	0.979	20	30		CCEDRM
Cc1ccc(S(=O)(=O)[N-]N2CCCC2=O)c(C#N)c1	ZINC000872510624	646273545	/nfs/dbraw/zinc/27/35/45/646273545.db2.gz	YQLMXDGEPPIMGB-UHFFFAOYSA-N	-1	0	279.321	0.682	20	30		CCEDRM
C#CCOc1ccc(C(=O)[N-]S(C)(=O)=O)cc1	ZINC000076758374	649393709	/nfs/dbraw/zinc/39/37/09/649393709.db2.gz	IASPBCFZIKKESJ-UHFFFAOYSA-N	-1	0	253.279	0.963	20	30		CCEDRM
C=CCN(CC(=O)[O-])C(=O)CCCc1nc(C)no1	ZINC000191274550	649471198	/nfs/dbraw/zinc/47/11/98/649471198.db2.gz	FCDNDMNNFSQSCL-UHFFFAOYSA-N	-1	0	267.285	0.800	20	30		CCEDRM
COCCNC(=O)C(C#N)=C([O-])c1cnn(C(C)(C)C)c1	ZINC000193427178	649538247	/nfs/dbraw/zinc/53/82/47/649538247.db2.gz	RUQPIHZAASYGIE-NSHDSACASA-N	-1	0	292.339	0.723	20	30		CCEDRM
C=CCC1(C(=O)[O-])CN(S(=O)(=O)N(C)C(C)C)C1	ZINC000722904828	791023964	/nfs/dbraw/zinc/02/39/64/791023964.db2.gz	KEXGJHQNNLFFHW-UHFFFAOYSA-N	-1	0	276.358	0.534	20	30		CCEDRM
C=CC(=O)OC[C@@H](COC(=O)C(=C)C)Oc1n[nH]c(=O)[n-]1	ZINC001231305512	805773697	/nfs/dbraw/zinc/77/36/97/805773697.db2.gz	ROAWYQAPZGOCSI-QMMMGPOBSA-N	-1	0	297.267	0.106	20	30		CCEDRM
N#C[C@H]1COCCN1Cc1ccccc1OCC(=O)[O-]	ZINC001231794148	805855869	/nfs/dbraw/zinc/85/58/69/805855869.db2.gz	VTNZYQLVJCLUBW-LBPRGKRZSA-N	-1	0	276.292	0.874	20	30		CCEDRM
COC(=O)CN(CC(=O)OC)Cc1ccc(C#N)cc1O	ZINC001233386347	806052201	/nfs/dbraw/zinc/05/22/01/806052201.db2.gz	QDEXFZFDMOABAC-UHFFFAOYSA-N	-1	0	292.291	0.412	20	30		CCEDRM
N#CCc1nn(-c2ccccc2)c(NC(=O)C(=O)[O-])c1C#N	ZINC001143409875	791327398	/nfs/dbraw/zinc/32/73/98/791327398.db2.gz	QSCKQAUQICWKDE-UHFFFAOYSA-N	-1	0	295.258	0.833	20	30		CCEDRM
CC/C(C)=C(\C)C(=O)NCCn1cc(C#N)c(=O)[n-]c1=O	ZINC001167523580	791509158	/nfs/dbraw/zinc/50/91/58/791509158.db2.gz	JWUKKAGMHYIYLS-MDZDMXLPSA-N	-1	0	290.323	0.683	20	30		CCEDRM
C#C[C@H]1CCCN(C(=O)[C@H]2CC[C@@H](C(=O)[O-])O2)C1	ZINC000692389039	791664143	/nfs/dbraw/zinc/66/41/43/791664143.db2.gz	DYMXRYRTSZUOPZ-AXFHLTTASA-N	-1	0	251.282	0.490	20	30		CCEDRM
N#Cc1ccc2oc(OC(=O)[C@H](O)CC(=O)[O-])nc2c1	ZINC001234456360	806248623	/nfs/dbraw/zinc/24/86/23/806248623.db2.gz	LGQQHMPDTCBXBI-MRVPVSSYSA-N	-1	0	276.204	0.440	20	30		CCEDRM
COc1cc(OC(=O)[C@H](O)CC(=O)[O-])ccc1C#N	ZINC001234499035	806262389	/nfs/dbraw/zinc/26/23/89/806262389.db2.gz	KBHDETKKTWNJNM-SECBINFHSA-N	-1	0	265.221	0.308	20	30		CCEDRM
C#C[C@](C)(CC)[N-]S(=O)(=O)c1nn(C)cc1[N+](=O)[O-]	ZINC001211923356	814930911	/nfs/dbraw/zinc/93/09/11/814930911.db2.gz	ZRNGGHBEWBHEBJ-SNVBAGLBSA-N	-1	0	286.313	0.409	20	30		CCEDRM
Cn1c(=O)[n-]c(N[C@@H]2C[C@H]2C2CCC2)c(C#N)c1=O	ZINC001120857368	798950278	/nfs/dbraw/zinc/95/02/78/798950278.db2.gz	CFUNGTHCKLJRSN-WCBMZHEXSA-N	-1	0	260.297	0.546	20	30		CCEDRM
Cn1ccnc1C([O-])=C(C#N)C(=O)C1CCOCC1	ZINC001122714717	799288545	/nfs/dbraw/zinc/28/85/45/799288545.db2.gz	NZBXOMRVNNMICT-JTQLQIEISA-N	-1	0	261.281	0.738	20	30		CCEDRM
Cn1ccnc1C([O-])=C(C#N)C(=O)C[C@H]1CCOC1	ZINC001122715116	799289079	/nfs/dbraw/zinc/28/90/79/799289079.db2.gz	XNACCUFKXJPVHS-NXEZZACHSA-N	-1	0	261.281	0.738	20	30		CCEDRM
Cn1cc([C@@H]2C[C@H]2C(=O)C(C#N)=C([O-])c2nccn2C)cn1	ZINC001122728398	799290768	/nfs/dbraw/zinc/29/07/68/799290768.db2.gz	RCXIUNNTINYYBN-TUAOUCFPSA-N	-1	0	297.318	0.849	20	30		CCEDRM
C=CCC1(C(=O)N2CC(C(=O)[O-])C2)CCOCC1	ZINC001123391116	799405259	/nfs/dbraw/zinc/40/52/59/799405259.db2.gz	NJHSMEPXDQZZAM-UHFFFAOYSA-N	-1	0	253.298	0.902	20	30		CCEDRM
C=CCO[N-]C(=O)c1cnc2scc(C)n2c1=O	ZINC001140879317	799954658	/nfs/dbraw/zinc/95/46/58/799954658.db2.gz	BRNSPUGXBYHWDN-UHFFFAOYSA-N	-1	0	265.294	0.912	20	30		CCEDRM
C=CCONC(=O)c1ccc([N-]S(C)(=O)=O)nc1	ZINC001140879942	799956306	/nfs/dbraw/zinc/95/63/06/799956306.db2.gz	UZWVGVCGNRICJQ-UHFFFAOYSA-N	-1	0	271.298	0.301	20	30		CCEDRM
C=CCCO[N-]C(=O)COc1ccc(C(N)=O)cc1	ZINC001149452788	800265661	/nfs/dbraw/zinc/26/56/61/800265661.db2.gz	ZSFZWRFKQGAWCJ-UHFFFAOYSA-N	-1	0	264.281	0.788	20	30		CCEDRM
N#Cc1cnc(N[C@H]2SC(=O)[N-]C2=O)c(F)c1	ZINC001155842906	801064505	/nfs/dbraw/zinc/06/45/05/801064505.db2.gz	NRTCYRIDMNFZCN-QMMMGPOBSA-N	-1	0	252.230	0.813	20	30		CCEDRM
N#Cc1nc(Cl)c(NCC(=O)CCC(=O)[O-])nc1C#N	ZINC001160873881	802038228	/nfs/dbraw/zinc/03/82/28/802038228.db2.gz	BJLHJZZSMMFCCY-UHFFFAOYSA-N	-1	0	293.670	0.719	20	30		CCEDRM
Cn1ncc([N-]S(=O)(=O)C2CCOCC2)c1C#N	ZINC001259909163	808797711	/nfs/dbraw/zinc/79/77/11/808797711.db2.gz	ZBHXEZVOZHNHSD-UHFFFAOYSA-N	-1	0	270.314	0.212	20	30		CCEDRM
C=CCS(=O)(=O)[N-]c1c(OC)ncnc1OC	ZINC001259922482	808804620	/nfs/dbraw/zinc/80/46/20/808804620.db2.gz	KZONTOZRBALLNL-UHFFFAOYSA-N	-1	0	259.287	0.422	20	30		CCEDRM
C=CCOCCNC(=O)C(=O)[N-]OC1CCCCC1	ZINC001261670270	809050199	/nfs/dbraw/zinc/05/01/99/809050199.db2.gz	HRRZTDMTSRTICQ-UHFFFAOYSA-N	-1	0	270.329	0.686	20	30		CCEDRM
COc1ccc(N[C@@H]2SC(=O)[N-]C2=O)nc1CC#N	ZINC001163667067	802587529	/nfs/dbraw/zinc/58/75/29/802587529.db2.gz	XJSSTIWZBMHRSD-SNVBAGLBSA-N	-1	0	278.293	0.877	20	30		CCEDRM
C=CCN1CC[C@H]1CNC(=O)c1ccc2oc(=O)nc-2[n-]1	ZINC001038921147	812342992	/nfs/dbraw/zinc/34/29/92/812342992.db2.gz	KSBFJVGOUFPHMI-VIFPVBQESA-N	-1	0	288.307	0.919	20	30		CCEDRM
C=CC(C)(C)C(=O)N[C@@H]1CN(Cc2n[nH]c(=O)[n-]2)C[C@H]1C	ZINC001208309779	803504578	/nfs/dbraw/zinc/50/45/78/803504578.db2.gz	WTUKBXWDACUBMK-NXEZZACHSA-N	-1	0	293.371	0.659	20	30		CCEDRM
N#Cc1cc(NC(=N[O-])c2nonc2N)ccc1N	ZINC001213427408	803693793	/nfs/dbraw/zinc/69/37/93/803693793.db2.gz	YCPUXGFCPSZCOE-UHFFFAOYSA-N	-1	0	259.229	0.354	20	30		CCEDRM
C=CC1(NS(=O)(=O)[C@H]2CC[C@H]2C(=O)[O-])CCOCC1	ZINC001465114225	804140004	/nfs/dbraw/zinc/14/00/04/804140004.db2.gz	COBSHSXPTOLMGC-ZJUUUORDSA-N	-1	0	289.353	0.504	20	30		CCEDRM
C=CCOC[C@H](CS(=O)(=O)[O-])OCc1ncc[nH]1	ZINC001222873856	804936069	/nfs/dbraw/zinc/93/60/69/804936069.db2.gz	JBWZZCMLBVWACG-SECBINFHSA-N	-1	0	276.314	0.385	20	30		CCEDRM
CC(C)(C)OC(=O)N1C[C@H](C#N)[C@H](OCC(=O)[O-])C1	ZINC001225022575	805101789	/nfs/dbraw/zinc/10/17/89/805101789.db2.gz	QRMDWQPBWREPJS-DTWKUNHWSA-N	-1	0	270.285	0.847	20	30		CCEDRM
C=CCOC[C@H](CS(=O)(=O)[O-])Oc1cccnc1	ZINC001225287499	805118049	/nfs/dbraw/zinc/11/80/49/805118049.db2.gz	NTWLJUBRSJTFEB-LLVKDONJSA-N	-1	0	273.310	0.919	20	30		CCEDRM
N#Cc1ccc(OC(=O)[C@H](O)CCC(=O)[O-])c(F)c1F	ZINC001226018225	805187329	/nfs/dbraw/zinc/18/73/29/805187329.db2.gz	RRKNXUQRKLKISB-SSDOTTSWSA-N	-1	0	285.202	0.968	20	30		CCEDRM
Cc1cc(=O)[n-]c(OC[C@H]2OCCN(C)C2=O)c1C#N	ZINC001226222777	805207578	/nfs/dbraw/zinc/20/75/78/805207578.db2.gz	HDTFTZMLAAOHBF-SNVBAGLBSA-N	-1	0	277.280	0.203	20	30		CCEDRM
CC(=O)OC[C@H](COc1nccc(/C=N/O)n1)OC(C)=O	ZINC001226252867	805211988	/nfs/dbraw/zinc/21/19/88/805211988.db2.gz	BBFNFEGCHTUYJZ-LHDJSAJTSA-N	-1	0	297.267	0.158	20	30		CCEDRM
CC[C@H](C#CC(=O)OC)Oc1nc(C)[n-]c(=O)c1F	ZINC001226422839	805228245	/nfs/dbraw/zinc/22/82/45/805228245.db2.gz	ACAGVTCVPVYOHK-MRVPVSSYSA-N	-1	0	268.244	0.964	20	30		CCEDRM
C=C[C@H](C)Oc1nc(=O)[n-]c(C(=O)OC)c1[N+](=O)[O-]	ZINC001226652639	805261393	/nfs/dbraw/zinc/26/13/93/805261393.db2.gz	NBTDRUNLVZLOJS-YFKPBYRVSA-N	-1	0	269.213	0.830	20	30		CCEDRM
N#CCCN1CC(Oc2n[n-]c(=O)cc2Br)C1	ZINC001226849105	805289221	/nfs/dbraw/zinc/28/92/21/805289221.db2.gz	JZAZHCISNRCUTO-UHFFFAOYSA-N	-1	0	299.128	0.921	20	30		CCEDRM
C#C[C@H](Oc1[n-]c(=O)nc2cnccc21)C(=O)OCC	ZINC001226976321	805301182	/nfs/dbraw/zinc/30/11/82/805301182.db2.gz	KUBCOHOOMGBOQB-JTQLQIEISA-N	-1	0	273.248	0.262	20	30		CCEDRM
C=CCOC[C@H](CS(=O)(=O)[O-])Oc1cc(C)on1	ZINC001227277174	805340542	/nfs/dbraw/zinc/34/05/42/805340542.db2.gz	AVCRAQQIRTZPLN-SECBINFHSA-N	-1	0	277.298	0.821	20	30		CCEDRM
C=CCOC[C@H](CS(=O)(=O)[O-])Oc1ncc(F)cn1	ZINC001228849248	805484293	/nfs/dbraw/zinc/48/42/93/805484293.db2.gz	MFCDXCBXZXJRHO-SECBINFHSA-N	-1	0	292.288	0.454	20	30		CCEDRM
C=CCOC[C@@H](CS(=O)(=O)[O-])Oc1coccc1=O	ZINC001228998185	805495924	/nfs/dbraw/zinc/49/59/24/805495924.db2.gz	OEQPJHVEUTUQLM-VIFPVBQESA-N	-1	0	290.293	0.478	20	30		CCEDRM
N#Cc1ccc2ncnc(OC(=O)[C@@H](O)CC(=O)[O-])c2c1	ZINC001229103616	805504176	/nfs/dbraw/zinc/50/41/76/805504176.db2.gz	BRKZIIPTZXMGBA-JTQLQIEISA-N	-1	0	287.231	0.242	20	30		CCEDRM
COc1nc(-c2cnn(CC(=O)[O-])c2)ncc1C#N	ZINC001242180919	806994203	/nfs/dbraw/zinc/99/42/03/806994203.db2.gz	XUXOYQDYLGNAQL-UHFFFAOYSA-N	-1	0	259.225	0.305	20	30		CCEDRM
C=CCOC[C@H](O)CNc1cc(=O)[n-]c(OC)n1	ZINC001252453868	807869705	/nfs/dbraw/zinc/86/97/05/807869705.db2.gz	IVBXNVVAJICWOY-MRVPVSSYSA-N	-1	0	255.274	0.166	20	30		CCEDRM
COC(=O)CS(=O)(=O)[N-]c1ccc(C#N)nc1C	ZINC001259018768	808719590	/nfs/dbraw/zinc/71/95/90/808719590.db2.gz	GUOUHNUVNCETTH-UHFFFAOYSA-N	-1	0	269.282	0.176	20	30		CCEDRM
C[C@@H](C#N)NS(=O)(=O)c1cccc(C(=O)[O-])c1	ZINC001260193600	808855738	/nfs/dbraw/zinc/85/57/38/808855738.db2.gz	LVELINDZLUQQAL-ZETCQYMHSA-N	-1	0	254.267	0.575	20	30		CCEDRM
Cc1nsc([N-]S(=O)(=O)CS(C)(=O)=O)c1C#N	ZINC001260583181	808867357	/nfs/dbraw/zinc/86/73/57/808867357.db2.gz	RTAWQLHABUOTPM-UHFFFAOYSA-N	-1	0	295.367	0.067	20	30		CCEDRM
Cc1ccnc(C#N)c1[N-]S(=O)(=O)c1cn[nH]c1	ZINC001260954918	808886762	/nfs/dbraw/zinc/88/67/62/808886762.db2.gz	DWVJGHHDWZREGT-UHFFFAOYSA-N	-1	0	263.282	0.786	20	30		CCEDRM
CS(=O)(=O)[N-]C(=O)CCNC(=O)CCCCCC#N	ZINC001261218878	808929544	/nfs/dbraw/zinc/92/95/44/808929544.db2.gz	JLYQKAVFVMUABQ-UHFFFAOYSA-N	-1	0	289.357	0.043	20	30		CCEDRM
Cc1nc(C(=O)N=c2nn[n-]n2C2CC2)ccc1C#N	ZINC001261253195	808941037	/nfs/dbraw/zinc/94/10/37/808941037.db2.gz	SPMQQRZJHQUBIU-UHFFFAOYSA-N	-1	0	269.268	0.257	20	30		CCEDRM
CCc1nocc1C(=O)[N-]S(=O)(=O)CCCC#N	ZINC001261814615	809095113	/nfs/dbraw/zinc/09/51/13/809095113.db2.gz	HQGCIZNDJGDJHW-UHFFFAOYSA-N	-1	0	271.298	0.600	20	30		CCEDRM
C=CCO[C@H]1CCN(C(=O)C[C@]2(C(=O)[O-])CCOC2)C1	ZINC001261901320	809124827	/nfs/dbraw/zinc/12/48/27/809124827.db2.gz	UUAOYZHYUSLXBG-SMDDNHRTSA-N	-1	0	283.324	0.671	20	30		CCEDRM
C=C[C@@H](COC)NS(=O)(=O)c1csc(C(=O)[O-])c1	ZINC001262496963	809321322	/nfs/dbraw/zinc/32/13/22/809321322.db2.gz	UDMMGDMTKCCHEE-ZETCQYMHSA-N	-1	0	291.350	0.926	20	30		CCEDRM
CC[C@@H]1CCCN(c2[n-]c(=O)n(C)c(=O)c2C#N)C1	ZINC001262678721	809392556	/nfs/dbraw/zinc/39/25/56/809392556.db2.gz	LCCYWXWMAUXECU-SECBINFHSA-N	-1	0	262.313	0.572	20	30		CCEDRM
C[C@H]1CCN(c2[n-]c(=O)n(C)c(=O)c2C#N)C[C@@H]1F	ZINC001262690159	809396531	/nfs/dbraw/zinc/39/65/31/809396531.db2.gz	UBZZEUNMVDESDO-CBAPKCEASA-N	-1	0	266.276	0.130	20	30		CCEDRM
C=C[C@@H]1OCCC[C@H]1Nc1[n-]c(=O)n(C)c(=O)c1C#N	ZINC001262697948	809398520	/nfs/dbraw/zinc/39/85/20/809398520.db2.gz	DXZOVHOZXFVRNT-ZJUUUORDSA-N	-1	0	276.296	0.091	20	30		CCEDRM
COCCn1cc(C([O-])=C(C#N)C(=O)NC(C)C)c(C)n1	ZINC001263292557	809504495	/nfs/dbraw/zinc/50/44/95/809504495.db2.gz	KNJBJKXFJBLVQL-NSHDSACASA-N	-1	0	292.339	0.685	20	30		CCEDRM
CCCn1ncc(C([O-])=C(C#N)C(=O)NCCOC)c1C	ZINC001263305765	809506303	/nfs/dbraw/zinc/50/63/03/809506303.db2.gz	GVSXRHIWGCAFKC-NSHDSACASA-N	-1	0	292.339	0.687	20	30		CCEDRM
Cn1ccnc1C([O-])=C(C#N)C(=O)[C@H]1CCCC(=O)N1C	ZINC001263413616	809517356	/nfs/dbraw/zinc/51/73/56/809517356.db2.gz	DHYKPNJQRBTMSX-NXEZZACHSA-N	-1	0	288.307	0.323	20	30		CCEDRM
C#CC[C@@H](NC(=O)[C@H]1CCCN1c1ncccn1)C(=O)[O-]	ZINC000149896899	811484550	/nfs/dbraw/zinc/48/45/50/811484550.db2.gz	IZIAXYZFPFAKIC-GHMZBOCLSA-N	-1	0	288.307	0.038	20	30		CCEDRM
C#CC[C@@H](NC(=O)Cc1c(C)nn(C)c1C)C(=O)[O-]	ZINC000149973528	811485124	/nfs/dbraw/zinc/48/51/24/811485124.db2.gz	WGSIZLJHNCDOOF-LLVKDONJSA-N	-1	0	263.297	0.172	20	30		CCEDRM
C=CC(C)(C)CC(=O)N[C@H]1CCN(Cc2n[nH]c(=O)[n-]2)C1	ZINC001267723515	811688510	/nfs/dbraw/zinc/68/85/10/811688510.db2.gz	CROQEQKXUJBQCK-JTQLQIEISA-N	-1	0	293.371	0.803	20	30		CCEDRM
C=CCC[C@H](NC(=O)C1(OC)CCOCC1)C(=O)[O-]	ZINC000692739203	811891012	/nfs/dbraw/zinc/89/10/12/811891012.db2.gz	MXKXVHFQPIVUER-JTQLQIEISA-N	-1	0	271.313	0.718	20	30		CCEDRM
C=CCOC[C@@H](CS(=O)(=O)[O-])OCc1cnn(C)c1	ZINC001222429734	811906642	/nfs/dbraw/zinc/90/66/42/811906642.db2.gz	GFWTVFZEDHUUKE-NSHDSACASA-N	-1	0	290.341	0.396	20	30		CCEDRM
Cc1cc(C(=O)[O-])ccc1S(=O)(=O)NCCC#N	ZINC000336787140	812198849	/nfs/dbraw/zinc/19/88/49/812198849.db2.gz	KRUGJTNSMUVIAB-UHFFFAOYSA-N	-1	0	268.294	0.885	20	30		CCEDRM
C#C[C@H](NS(=O)(=O)c1cc(C(=O)[O-])n(C)c1)C(C)C	ZINC000302296777	813044826	/nfs/dbraw/zinc/04/48/26/813044826.db2.gz	GXDKIDZVJRDGBE-JTQLQIEISA-N	-1	0	284.337	0.659	20	30		CCEDRM
C=CCOC[C@@H](CS(=O)(=O)[O-])Oc1cc(C)nn1C	ZINC001226836747	814172240	/nfs/dbraw/zinc/17/22/40/814172240.db2.gz	RWMGYRJYNKVLQX-JTQLQIEISA-N	-1	0	290.341	0.566	20	30		CCEDRM
C=CCCCC(=O)[N-]S(=O)(=O)Cc1ccon1	ZINC000176614870	816820908	/nfs/dbraw/zinc/82/09/08/816820908.db2.gz	IQLXUZJEUDCDFF-UHFFFAOYSA-N	-1	0	258.299	0.977	20	30		CCEDRM
C=CCCN1CC(NC(=O)c2ccc3oc(=O)nc-3[n-]2)C1	ZINC001031251661	816893515	/nfs/dbraw/zinc/89/35/15/816893515.db2.gz	ULIJLBUUWRMNDJ-UHFFFAOYSA-N	-1	0	288.307	0.919	20	30		CCEDRM
CC(C)NC(=O)C(C#N)=C([O-])c1ccc(C(N)=O)cc1	ZINC000130673922	817034614	/nfs/dbraw/zinc/03/46/14/817034614.db2.gz	FWIVLSIKYWBCPA-NSHDSACASA-N	-1	0	273.292	0.633	20	30		CCEDRM
Cc1cc(S(=O)(=O)NCCC#N)ccc1OCC(=O)[O-]	ZINC000447145204	817519085	/nfs/dbraw/zinc/51/90/85/817519085.db2.gz	FVFUFOPELVARPB-UHFFFAOYSA-N	-1	0	298.320	0.650	20	30		CCEDRM
CC#CCCNC(=O)N1C[C@H](OC)C[C@]1(C)C(=O)[O-]	ZINC000702729871	819169674	/nfs/dbraw/zinc/16/96/74/819169674.db2.gz	WPFKGYZACKZMPB-ZWNOBZJWSA-N	-1	0	268.313	0.673	20	30		CCEDRM
C=CC[C@@H]1CCCN(C(=O)c2cn(CC(=O)[O-])nn2)C1	ZINC000703705051	819318629	/nfs/dbraw/zinc/31/86/29/819318629.db2.gz	CPGDLZGLIHFDCO-SNVBAGLBSA-N	-1	0	278.312	0.791	20	30		CCEDRM
C=CCNC(=O)CNC(=O)C1(C(=O)[O-])CCSCC1	ZINC000707406788	819740609	/nfs/dbraw/zinc/74/06/09/819740609.db2.gz	SZDVLNKLEOVTOW-UHFFFAOYSA-N	-1	0	286.353	0.003	20	30		CCEDRM
C#CC1(O)CCN(C(=O)c2c(O)cccc2O)CC1	ZINC000708127929	819759059	/nfs/dbraw/zinc/75/90/59/819759059.db2.gz	NMAJJBJLOGOGLP-UHFFFAOYSA-N	-1	0	261.277	0.698	20	30		CCEDRM
C=CCCn1cc(CN2C[C@@H](C)O[C@@H](C(=O)[O-])C2)nn1	ZINC001119598132	821388480	/nfs/dbraw/zinc/38/84/80/821388480.db2.gz	MNTINUKCRJAHNU-ZYHUDNBSSA-N	-1	0	280.328	0.528	20	30		CCEDRM
N#CCN1CC[C@@H](Oc2nc[n-]c(=O)c2Cl)C1	ZINC001230018732	821402351	/nfs/dbraw/zinc/40/23/51/821402351.db2.gz	STFOFMLEUZWZLF-SSDOTTSWSA-N	-1	0	254.677	0.812	20	30		CCEDRM
C#CC[C@@H](NC(=O)[C@H](C)Cc1c(C)nn(C)c1C)C(=O)[O-]	ZINC000820352850	821441491	/nfs/dbraw/zinc/44/14/91/821441491.db2.gz	NDYBACRAZMFDDY-NOZJJQNGSA-N	-1	0	291.351	0.808	20	30		CCEDRM
N#Cc1cc(F)cnc1N[C@H]1SC(=O)[N-]C1=O	ZINC001155836479	822257190	/nfs/dbraw/zinc/25/71/90/822257190.db2.gz	FKGHKLSPPSRLSJ-QMMMGPOBSA-N	-1	0	252.230	0.813	20	30		CCEDRM
CN1C[C@@H](NC(=O)CCC(=O)C2=CC=C[CH]2)CCC1=O	ZINC001184244013	844187441	/nfs/dbraw/zinc/18/74/41/844187441.db2.gz	LMQCLUZHNJBIKZ-LBPRGKRZSA-N	-1	0	275.328	0.773	20	30		CCEDRM
O=C(CCC(=O)N1CC[C@@H](CO)[C@@H](O)C1)C1=CC=C[CH]1	ZINC001184245530	844187582	/nfs/dbraw/zinc/18/75/82/844187582.db2.gz	XMZDVUORLGJVSP-JSGCOSHPSA-N	-1	0	278.328	0.238	20	30		CCEDRM
N=C(NC(=O)CCC(=O)C1=CC=C[CH]1)c1ncc[nH]1	ZINC001184244105	844187829	/nfs/dbraw/zinc/18/78/29/844187829.db2.gz	MEFIDZITAPRSSO-UHFFFAOYSA-N	-1	0	257.273	0.901	20	30		CCEDRM
CCN(CC#N)C(=O)c1nc[n-]c(=O)c1Br	ZINC001136377919	839605889	/nfs/dbraw/zinc/60/58/89/839605889.db2.gz	UQHVRLYUXIRUDU-UHFFFAOYSA-N	-1	0	285.101	0.930	20	30		CCEDRM
CCC[C@H](C#N)NC(=O)c1cccc(-n2[n-]nnc2=N)c1	ZINC001136475581	839628694	/nfs/dbraw/zinc/62/86/94/839628694.db2.gz	KTIBRSIAZNZVEK-SNVBAGLBSA-N	-1	0	285.311	0.497	20	30		CCEDRM
C#CCN1CCCN(C(=O)c2[n-]c(=O)c(C#N)cc2C)CC1	ZINC001136862826	839784848	/nfs/dbraw/zinc/78/48/48/839784848.db2.gz	CKENDPOFTJWQGD-UHFFFAOYSA-N	-1	0	298.346	0.748	20	30		CCEDRM
Cc1ccc(C(=O)[O-])cc1S(=O)(=O)N[C@@H](C)C#N	ZINC001185933986	844472634	/nfs/dbraw/zinc/47/26/34/844472634.db2.gz	JIHVQZWGNBZQTE-QMMMGPOBSA-N	-1	0	268.294	0.884	20	30		CCEDRM
C=CC[C@H](NC(=O)NCCCn1cccn1)C(=O)[O-]	ZINC000127711227	840561451	/nfs/dbraw/zinc/56/14/51/840561451.db2.gz	VRVHWSXRJIROJH-JTQLQIEISA-N	-1	0	266.301	0.602	20	30		CCEDRM
Cc1nc(C#N)cnc1Nc1cnn(CC(=O)[O-])c1	ZINC001176264413	842345736	/nfs/dbraw/zinc/34/57/36/842345736.db2.gz	COQYMBYHIFWVHW-UHFFFAOYSA-N	-1	0	258.241	0.681	20	30		CCEDRM
N#Cc1c(F)ccc(NC(=O)Cn2nn[n-]c2=S)c1F	ZINC001177741016	842664629	/nfs/dbraw/zinc/66/46/29/842664629.db2.gz	PBDZIJAYPNEZME-UHFFFAOYSA-N	-1	0	296.262	0.750	20	30		CCEDRM
C=CC[C@@H](NC(=O)C1CCN(C(=O)N(C)C)CC1)C(=O)[O-]	ZINC000150195438	843001044	/nfs/dbraw/zinc/00/10/44/843001044.db2.gz	NWULJWZKUCKHJB-LLVKDONJSA-N	-1	0	297.355	0.526	20	30		CCEDRM
CC(C)(Oc1ccc(C#N)cc1)C(=O)NCS(=O)(=O)[O-]	ZINC001181205339	843423580	/nfs/dbraw/zinc/42/35/80/843423580.db2.gz	BEJVSXMNJIOLOR-UHFFFAOYSA-N	-1	0	298.320	0.677	20	30		CCEDRM
Cc1oncc1S(=O)(=O)[N-]c1oncc1C#N	ZINC001187333000	844696662	/nfs/dbraw/zinc/69/66/62/844696662.db2.gz	CSENTKZMWSWLQM-UHFFFAOYSA-N	-1	0	254.227	0.644	20	30		CCEDRM
COC(=O)CCS(=O)(=O)[N-]c1sccc1C#N	ZINC001188349519	844879830	/nfs/dbraw/zinc/87/98/30/844879830.db2.gz	CCUHMXUAQIFHPX-UHFFFAOYSA-N	-1	0	274.323	0.925	20	30		CCEDRM
COC(=O)CCS(=O)(=O)[N-]c1cccnc1C#N	ZINC001188352483	844880184	/nfs/dbraw/zinc/88/01/84/844880184.db2.gz	AQJSCYHHFCQLIO-UHFFFAOYSA-N	-1	0	269.282	0.258	20	30		CCEDRM
C=CCC1(S(=O)(=O)[N-]c2onc(C)c2C(N)=O)CC1	ZINC001190765680	845491931	/nfs/dbraw/zinc/49/19/31/845491931.db2.gz	BUHZGQDZNTXAQW-UHFFFAOYSA-N	-1	0	285.325	0.932	20	30		CCEDRM
COc1ncnc([N-]S(=O)(=O)c2ccncc2)c1C#N	ZINC001190859511	845525344	/nfs/dbraw/zinc/52/53/44/845525344.db2.gz	HICFKXFFQSXVNJ-UHFFFAOYSA-N	-1	0	291.292	0.553	20	30		CCEDRM
N#CCS(=O)(=O)[N-]c1c(C#N)cnn1C1CCOCC1	ZINC001192944054	845931853	/nfs/dbraw/zinc/93/18/53/845931853.db2.gz	YOGSXBOEGJSGNF-UHFFFAOYSA-N	-1	0	295.324	0.372	20	30		CCEDRM
N#CCS(=O)(=O)[N-]c1snc2cccnc21	ZINC001192951047	845932955	/nfs/dbraw/zinc/93/29/55/845932955.db2.gz	GWUCOWXXMJWELX-UHFFFAOYSA-N	-1	0	254.296	0.957	20	30		CCEDRM
COc1ccc(CO)c([N-]S(=O)(=O)CC#N)c1	ZINC001192982223	845943851	/nfs/dbraw/zinc/94/38/51/845943851.db2.gz	KKTQZLYPNJPOLP-UHFFFAOYSA-N	-1	0	256.283	0.453	20	30		CCEDRM
COC(=O)c1cccc([N-]S(=O)(=O)CC#N)c1OC	ZINC001192985786	845944961	/nfs/dbraw/zinc/94/49/61/845944961.db2.gz	NMOVULKIWZWJCM-UHFFFAOYSA-N	-1	0	284.293	0.747	20	30		CCEDRM
CN1C(=O)NCc2cccc([N-]S(=O)(=O)CC#N)c21	ZINC001192985795	845944979	/nfs/dbraw/zinc/94/49/79/845944979.db2.gz	NXSQGTAKJJNVLS-UHFFFAOYSA-N	-1	0	280.309	0.611	20	30		CCEDRM
CCOC(=O)[C@H](CC(C)C)NS(=O)(=O)CC#N	ZINC001192988014	845946716	/nfs/dbraw/zinc/94/67/16/845946716.db2.gz	MRUVOVGBKZEBDS-VIFPVBQESA-N	-1	0	262.331	0.407	20	30		CCEDRM
N#CCS(=O)(=O)[N-]c1cc(C(N)=O)ccc1Cl	ZINC001192978774	845961477	/nfs/dbraw/zinc/96/14/77/845961477.db2.gz	FPUKCXAYCXXZFR-UHFFFAOYSA-N	-1	0	273.701	0.704	20	30		CCEDRM
C[C@@H](C#N)S(=O)(=O)[N-]c1cccnc1N1CCOCC1	ZINC001193104005	845978898	/nfs/dbraw/zinc/97/88/98/845978898.db2.gz	CPYUOUSZFLYNEQ-JTQLQIEISA-N	-1	0	296.352	0.572	20	30		CCEDRM
CCOC(=O)c1cnc([N-]S(=O)(=O)[C@H](C)C#N)cn1	ZINC001193104017	845979347	/nfs/dbraw/zinc/97/93/47/845979347.db2.gz	CUZORULMKYNJMC-SSDOTTSWSA-N	-1	0	284.297	0.307	20	30		CCEDRM
C[C@H](C#N)S(=O)(=O)[N-]c1ccc2nc[nH]c(=O)c2c1	ZINC001193145991	846004534	/nfs/dbraw/zinc/00/45/34/846004534.db2.gz	DWZMOZMLDXMMSF-SSDOTTSWSA-N	-1	0	278.293	0.989	20	30		CCEDRM
Cc1ccc(C(N)=O)c([N-]S(=O)(=O)[C@@H](C)C#N)c1	ZINC001193152011	846006459	/nfs/dbraw/zinc/00/64/59/846006459.db2.gz	YSSDBLOBAIVMOJ-QMMMGPOBSA-N	-1	0	267.310	0.748	20	30		CCEDRM
C#Cc1nccnc1[N-]S(=O)(=O)C[C@H]1CCCO1	ZINC001193204957	846017912	/nfs/dbraw/zinc/01/79/12/846017912.db2.gz	ASOXLLSQSKSGGI-SECBINFHSA-N	-1	0	267.310	0.379	20	30		CCEDRM
CCOC(=O)[C@@H]([N-]S(=O)(=O)[C@@H](C)C#N)c1cccnc1	ZINC001193182583	846026632	/nfs/dbraw/zinc/02/66/32/846026632.db2.gz	OMLLDIGHIHJWOL-ONGXEEELSA-N	-1	0	297.336	0.517	20	30		CCEDRM
C[C@]1(CO)CCN(C(=O)c2ccc([O-])c(C#N)c2)C[C@H]1O	ZINC001193505832	846101102	/nfs/dbraw/zinc/10/11/02/846101102.db2.gz	JGMOBMVCZGPWPU-UKRRQHHQSA-N	-1	0	290.319	0.469	20	30		CCEDRM
COC(=O)[C@H]1C[C@@H]1CNC(=O)c1ccc([O-])c(C#N)c1	ZINC001193514160	846103510	/nfs/dbraw/zinc/10/35/10/846103510.db2.gz	CCUJCQPFFBWKLI-MNOVXSKESA-N	-1	0	274.276	0.803	20	30		CCEDRM
Cn1ccnc1S(=O)(=O)[N-]c1cncc(C#N)c1	ZINC001193555259	846117757	/nfs/dbraw/zinc/11/77/57/846117757.db2.gz	VDJRFDVRQNBHEB-UHFFFAOYSA-N	-1	0	263.282	0.488	20	30		CCEDRM
N#Cc1cccc(C(=O)N[C@@H](CO)Cc2c[nH]cn2)c1[O-]	ZINC001193658014	846139861	/nfs/dbraw/zinc/13/98/61/846139861.db2.gz	PTDRHQUTCUZCIG-LLVKDONJSA-N	-1	0	286.291	0.320	20	30		CCEDRM
COC(=O)c1cc(C(=O)Nc2[nH]cnc2C#N)n[n-]1	ZINC001194282410	846263937	/nfs/dbraw/zinc/26/39/37/846263937.db2.gz	HULHQKZQGOSSFT-UHFFFAOYSA-N	-1	0	260.213	0.043	20	30		CCEDRM
COc1ccc(S(=O)(=O)[N-]c2cncc(C#N)n2)cn1	ZINC001195685254	846598241	/nfs/dbraw/zinc/59/82/41/846598241.db2.gz	YKTXBULNBHDOJF-UHFFFAOYSA-N	-1	0	291.292	0.553	20	30		CCEDRM
N#Cc1ccc(C(=O)N=c2ncnc3[nH][nH]cc2-3)c([O-])c1	ZINC001195733938	846605059	/nfs/dbraw/zinc/60/50/59/846605059.db2.gz	ZDQOCDCNJIVANG-UHFFFAOYSA-N	-1	0	280.247	0.556	20	30		CCEDRM
CC(=O)N1C[C@H]2C[C@@]2(NC(=O)c2ccc(C#N)cc2[O-])C1	ZINC001195758768	846610715	/nfs/dbraw/zinc/61/07/15/846610715.db2.gz	SCZBWVNQWPOWDM-IAQYHMDHSA-N	-1	0	285.303	0.614	20	30		CCEDRM
N#Cc1ccc(C(=O)N2CC[C@@H](CO)[C@H](O)C2)c([O-])c1	ZINC001195740462	846619508	/nfs/dbraw/zinc/61/95/08/846619508.db2.gz	GCWIEPKCLLTEHQ-GXFFZTMASA-N	-1	0	276.292	0.079	20	30		CCEDRM
N#Cc1ccc(C(=O)N2CCN(CCF)CC2)c([O-])c1	ZINC001195741877	846619639	/nfs/dbraw/zinc/61/96/39/846619639.db2.gz	RNJBFTNEDPEGBL-UHFFFAOYSA-N	-1	0	277.299	0.991	20	30		CCEDRM
CCOC(=O)CS(=O)(=O)[N-]c1ccsc1C#N	ZINC001195939203	846643590	/nfs/dbraw/zinc/64/35/90/846643590.db2.gz	PNYDMDWZKSUCDA-UHFFFAOYSA-N	-1	0	274.323	0.925	20	30		CCEDRM
C#Cc1nccnc1[N-]S(=O)(=O)c1ccc(C)nc1	ZINC001198272222	847082912	/nfs/dbraw/zinc/08/29/12/847082912.db2.gz	IWXBYPQVZVXITP-UHFFFAOYSA-N	-1	0	274.305	0.962	20	30		CCEDRM
N#C[C@H]1COCCN1S(=O)(=O)c1ccccc1C(=O)[O-]	ZINC001198766238	847164227	/nfs/dbraw/zinc/16/42/27/847164227.db2.gz	GDAJATRBSATKLZ-VIFPVBQESA-N	-1	0	296.304	0.298	20	30		CCEDRM
C#C[C@@H](C)NS(=O)(=O)c1ccccc1C(=O)[O-]	ZINC001198802381	847174076	/nfs/dbraw/zinc/17/40/76/847174076.db2.gz	ZDWGTTRJYZFPOZ-MRVPVSSYSA-N	-1	0	253.279	0.685	20	30		CCEDRM
C=CCOCCCNC(=O)N1CCOC[C@H]1C(=O)[O-]	ZINC000691817984	847985417	/nfs/dbraw/zinc/98/54/17/847985417.db2.gz	GHARFSPATHYKFD-JTQLQIEISA-N	-1	0	272.301	0.074	20	30		CCEDRM
Cc1n[nH]c(C(=O)N[C@@H]2CCCC[C@H]2CNCC#N)c1[O-]	ZINC001275757879	848810591	/nfs/dbraw/zinc/81/05/91/848810591.db2.gz	RXHSXQZPOKPBAM-WDEREUQCSA-N	-1	0	291.355	0.826	20	30		CCEDRM
CN(C)C(=O)[C@@]12C[C@@H]1CCN2C(=O)c1ccc([O-])c(C#N)c1	ZINC001276155205	848940410	/nfs/dbraw/zinc/94/04/10/848940410.db2.gz	BOPZJMJNOHAYBI-BLLLJJGKSA-N	-1	0	299.330	0.957	20	30		CCEDRM
CC[C@](C)(C#N)C(=O)N1CCC(c2nnn[n-]2)CC1	ZINC000720446334	849464195	/nfs/dbraw/zinc/46/41/95/849464195.db2.gz	WNIHEDHUSOSJDN-GFCCVEGCSA-N	-1	0	262.317	0.846	20	30		CCEDRM
N#CC1(C(=O)N2CCC(c3nnn[n-]3)CC2)CCCC1	ZINC000720453447	849464642	/nfs/dbraw/zinc/46/46/42/849464642.db2.gz	TUABFRVREKVQRB-UHFFFAOYSA-N	-1	0	274.328	0.990	20	30		CCEDRM
C=C[C@H](O)CNc1ccc(C(=O)NCC(=O)[O-])cc1	ZINC001253596552	849601753	/nfs/dbraw/zinc/60/17/53/849601753.db2.gz	SMZWRDSQYOUFLW-NSHDSACASA-N	-1	0	264.281	0.460	20	30		CCEDRM
Cc1[nH]nc(C(=O)N2CCC[C@H]3[C@@H]2CCN3CC#N)c1[O-]	ZINC001049422956	852267635	/nfs/dbraw/zinc/26/76/35/852267635.db2.gz	PUPJPFFSKXHSSS-QWRGUYRKSA-N	-1	0	289.339	0.626	20	30		CCEDRM
C#CCCCCNC(=O)N1CC[C@](COC)(C(=O)[O-])C1	ZINC000383837144	853301120	/nfs/dbraw/zinc/30/11/20/853301120.db2.gz	LAGHRYNTTJQPMQ-AWEZNQCLSA-N	-1	0	282.340	0.923	20	30		CCEDRM
C#CC[C@H](NC(=O)[C@@H]1CS[C@]2(C)CCC(=O)N12)C(=O)[O-]	ZINC000149891449	854007559	/nfs/dbraw/zinc/00/75/59/854007559.db2.gz	OQNJJGUJMCPWOT-MWODSPESSA-N	-1	0	296.348	0.033	20	30		CCEDRM
N#Cc1c(F)cccc1C(=O)NCc1nc(=O)o[n-]1	ZINC001116680335	855811648	/nfs/dbraw/zinc/81/16/48/855811648.db2.gz	WZWHKSCUPPTNFM-UHFFFAOYSA-N	-1	0	262.200	0.304	20	30		CCEDRM
CC[C@@]1(C)NC(=O)N([N-]C(=O)c2csc(C#N)c2)C1=O	ZINC001118757406	856426823	/nfs/dbraw/zinc/42/68/23/856426823.db2.gz	GYZAVJBVIOWEQZ-GFCCVEGCSA-N	-1	0	292.320	0.985	20	30		CCEDRM
C=CCCCNC(=O)C(=O)N1CC[C@@](COC)(C(=O)[O-])C1	ZINC001119392468	856665393	/nfs/dbraw/zinc/66/53/93/856665393.db2.gz	LYWFLVDRAIKMOP-CQSZACIVSA-N	-1	0	298.339	0.019	20	30		CCEDRM
N#CCCCCC(=O)N1CCSC[C@H]1c1nnn[n-]1	ZINC001119629620	856792430	/nfs/dbraw/zinc/79/24/30/856792430.db2.gz	GTWDPEZVIQNHOY-VIFPVBQESA-N	-1	0	280.357	0.900	20	30		CCEDRM
C=CCOC[C@@H](NC(=O)c1c(C)cnn1C)C(=O)[O-]	ZINC001119643235	856803374	/nfs/dbraw/zinc/80/33/74/856803374.db2.gz	BGIGUVUQVWOACD-SECBINFHSA-N	-1	0	267.285	0.114	20	30		CCEDRM
C=CCOC[C@@H](NC(=O)c1ccn(CC)n1)C(=O)[O-]	ZINC001119645632	856807138	/nfs/dbraw/zinc/80/71/38/856807138.db2.gz	WUAIIMSYSJLZBU-SNVBAGLBSA-N	-1	0	267.285	0.289	20	30		CCEDRM
C=C[C@H](O)C(=O)OCC(=O)c1ccc(O)cc1O	ZINC001326213717	913825213	/nfs/dbraw/zinc/82/52/13/913825213.db2.gz	NJNWUGAZQJLSDV-VIFPVBQESA-N	-1	0	252.222	0.371	20	30		CCEDRM
Cc1nn2c(S[C@@H]3CC[C@@H](C#N)C3)n[n-]c2nc1=O	ZINC001364274997	894003507	/nfs/dbraw/zinc/00/35/07/894003507.db2.gz	AKJDPBGCVRBODY-HTQZYQBOSA-N	-1	0	276.325	0.905	20	30		CCEDRM
C#CCN1CC[C@]2(CCCN2C(=O)c2ccncc2[O-])C1=O	ZINC001271402696	894122115	/nfs/dbraw/zinc/12/21/15/894122115.db2.gz	PRNDKEKCYTYYKP-MRXNPFEDSA-N	-1	0	299.330	0.628	20	30		CCEDRM
Cc1cc(C#N)c(=O)[n-]c1C(=O)NCC(=O)NCC(C)C	ZINC001411619305	901159067	/nfs/dbraw/zinc/15/90/67/901159067.db2.gz	VQLNTFYOLGSZSP-UHFFFAOYSA-N	-1	0	290.323	0.469	20	30		CCEDRM
N#Cc1cn(CC(=O)N[C@H]2CCC[C@@H]3C[C@@H]32)c(=O)[n-]c1=O	ZINC001412229962	901573654	/nfs/dbraw/zinc/57/36/54/901573654.db2.gz	QTFLJZCANXBLIB-MIMYLULJSA-N	-1	0	288.307	0.125	20	30		CCEDRM
C[C@H](CC(=O)NCCn1cc(C#N)c(=O)[n-]c1=O)C1CC1	ZINC001412374866	901668803	/nfs/dbraw/zinc/66/88/03/901668803.db2.gz	RUAZIOFLIQBWCE-SECBINFHSA-N	-1	0	290.323	0.373	20	30		CCEDRM
N#Cc1cn(CCC(=O)NC/C=C/Cl)c(=O)[n-]c1=O	ZINC001412767856	902101884	/nfs/dbraw/zinc/10/18/84/902101884.db2.gz	GRWYHLUGJZGMDA-HNQUOIGGSA-N	-1	0	282.687	0.079	20	30		CCEDRM
C[C@H](NC(=O)Cn1cc(C#N)c(=O)[n-]c1=O)C1(C)CC1	ZINC001413746161	903231801	/nfs/dbraw/zinc/23/18/01/903231801.db2.gz	JRQYZAKEFAPWLC-QMMMGPOBSA-N	-1	0	276.296	0.125	20	30		CCEDRM
Nc1nonc1C(=Nc1cccc(CC(=O)[O-])c1)NO	ZINC001210068306	903818391	/nfs/dbraw/zinc/81/83/91/903818391.db2.gz	SEEAWCVPDJJJEY-UHFFFAOYSA-N	-1	0	277.240	0.336	20	30		CCEDRM
C=CCCC(=O)N(C)CCCN(C)Cc1n[nH]c(=O)[n-]1	ZINC001280795120	904152478	/nfs/dbraw/zinc/15/24/78/904152478.db2.gz	ZSIDYSOKVBJYCC-UHFFFAOYSA-N	-1	0	281.360	0.757	20	30		CCEDRM
C=C[C@H](COC)NS(=O)(=O)c1ccccc1[O-]	ZINC001327907700	914852683	/nfs/dbraw/zinc/85/26/83/914852683.db2.gz	KHVTUZGEHLWTOC-SECBINFHSA-N	-1	0	257.311	0.872	20	30		CCEDRM
N#Cc1ccc(CCN2CCO[C@H](C(=O)[O-])C2)cc1	ZINC001327913249	914855888	/nfs/dbraw/zinc/85/58/88/914855888.db2.gz	MDJSYSOBGGRHIH-ZDUSSCGKSA-N	-1	0	260.293	0.886	20	30		CCEDRM
C=CCCC(=O)N1CC(N(C)C(=O)c2n[nH]c(C)c2[O-])C1	ZINC001286009700	905836549	/nfs/dbraw/zinc/83/65/49/905836549.db2.gz	JVYXWXGBPVDGDJ-UHFFFAOYSA-N	-1	0	292.339	0.673	20	30		CCEDRM
C=CCCC[C@H](C)NC(=O)C(=O)N[C@H]1C[C@@H](C(=O)[O-])C1	ZINC001337187018	921212287	/nfs/dbraw/zinc/21/22/87/921212287.db2.gz	BAOQCGFSMUVSRI-GARJFASQSA-N	-1	0	282.340	0.827	20	30		CCEDRM
Cc1cc(C#N)c(=O)[n-]c1C(=O)NCCOC(N)=O	ZINC001295744076	906795613	/nfs/dbraw/zinc/79/56/13/906795613.db2.gz	ZIOAIOBWFXKHRS-UHFFFAOYSA-N	-1	0	264.241	0.206	20	30		CCEDRM
C#CCC(CC#C)C(=O)OCC(=O)CCC(=O)[O-]	ZINC001588390398	983393538	/nfs/dbraw/zinc/39/35/38/983393538.db2.gz	UDLGKPZDEKNYGZ-UHFFFAOYSA-N	-1	0	250.250	0.626	20	30		CCEDRM
C#CCCCCC(=O)NCCN(C)Cc1n[nH]c(=O)[n-]1	ZINC001492231002	907786962	/nfs/dbraw/zinc/78/69/62/907786962.db2.gz	LHSGYNYPOHWCFS-UHFFFAOYSA-N	-1	0	279.344	0.252	20	30		CCEDRM
CSCC[C@H](NC(=O)[C@@H](C)CC#N)c1nnn[n-]1	ZINC001301162448	907958870	/nfs/dbraw/zinc/95/88/70/907958870.db2.gz	XSLQWDOAFFLAJM-YUMQZZPRSA-N	-1	0	268.346	0.660	20	30		CCEDRM
C=CCCCC(=O)NCCn1cc(C#N)c(=O)[n-]c1=O	ZINC001301213388	907960965	/nfs/dbraw/zinc/96/09/65/907960965.db2.gz	PCUIWAHCXUWJKC-UHFFFAOYSA-N	-1	0	276.296	0.293	20	30		CCEDRM
C=C[C@H](C)O[N-]C(=O)c1cc([N+](=O)[O-])c[nH]c1=O	ZINC001306868539	908271494	/nfs/dbraw/zinc/27/14/94/908271494.db2.gz	GCNUQQMTGJWIBS-LURJTMIESA-N	-1	0	253.214	0.931	20	30		CCEDRM
CCO[N-]C(=O)C(=O)Nc1cc(C)n(CCC#N)n1	ZINC001320603172	910758654	/nfs/dbraw/zinc/75/86/54/910758654.db2.gz	IGUIIRWCKDUALE-UHFFFAOYSA-N	-1	0	265.273	0.111	20	30		CCEDRM
CC(=NNc1nnc(C)c(=O)[n-]1)c1ccnc(C)n1	ZINC001320728611	910828748	/nfs/dbraw/zinc/82/87/48/910828748.db2.gz	YWAWEDSLDFTUPO-UHFFFAOYSA-N	-1	0	259.273	0.820	20	30		CCEDRM
C=CCS(=O)(=O)[N-]C(=O)c1c2ccccc2nn1C	ZINC001321366466	911263584	/nfs/dbraw/zinc/26/35/84/911263584.db2.gz	MFVUKJVHMQIKLO-UHFFFAOYSA-N	-1	0	279.321	0.819	20	30		CCEDRM
C=CCOC[C@H](NCc1cn(C(C)(C)C)nn1)C(=O)[O-]	ZINC001339134600	921660129	/nfs/dbraw/zinc/66/01/29/921660129.db2.gz	NZZUJCOASMCAEN-NSHDSACASA-N	-1	0	282.344	0.779	20	30		CCEDRM
C=CC[C@H](NC(=O)[C@H](C)NC(=O)c1ccoc1)C(=O)[O-]	ZINC001321658754	911425466	/nfs/dbraw/zinc/42/54/66/911425466.db2.gz	VUCYBURDJKTDRY-WPRPVWTQSA-N	-1	0	280.280	0.543	20	30		CCEDRM
C=CC[C@H](NC(=O)[C@H](C)OC[C@@H]1CCCO1)C(=O)[O-]	ZINC001321658119	911425753	/nfs/dbraw/zinc/42/57/53/911425753.db2.gz	OHPWXLUZLWEWMF-DCAQKATOSA-N	-1	0	271.313	0.716	20	30		CCEDRM
C=CC[C@@H](NC(=O)[C@H]1CCCN(C(=O)CC)C1)C(=O)[O-]	ZINC001321658515	911426918	/nfs/dbraw/zinc/42/69/18/911426918.db2.gz	UNWPFWOZTYRSFZ-WDEREUQCSA-N	-1	0	282.340	0.781	20	30		CCEDRM
CCOCCO[N-]C(=O)C(=O)NCc1ccc(C#N)cc1	ZINC001322410227	911790046	/nfs/dbraw/zinc/79/00/46/911790046.db2.gz	RVGBCVMIYRXCNM-UHFFFAOYSA-N	-1	0	291.307	0.259	20	30		CCEDRM
Cc1ccc(S(=O)(=O)[N-]C(=O)[C@H](C)CC#N)cn1	ZINC001328335958	915121236	/nfs/dbraw/zinc/12/12/36/915121236.db2.gz	ARWJZRZIWQACOB-MRVPVSSYSA-N	-1	0	267.310	0.745	20	30		CCEDRM
N#Cc1cscc1C(=O)NCc1nc(=O)o[n-]1	ZINC001328457685	915212299	/nfs/dbraw/zinc/21/22/99/915212299.db2.gz	USZLUODTERFLJF-UHFFFAOYSA-N	-1	0	250.239	0.226	20	30		CCEDRM
N#CCCC[C@@H]([NH3+])C(=O)N1CCC[C@H](c2n[nH]c(=O)[n-]2)C1	ZINC001329287465	915793177	/nfs/dbraw/zinc/79/31/77/915793177.db2.gz	LNNFTTNAUKIBAK-VHSXEESVSA-N	-1	0	292.343	0.237	20	30		CCEDRM
CC1=CC(=O)C(=C([O-])C=Cc2cn(C)nn2)C(=O)O1	ZINC001329400656	915881126	/nfs/dbraw/zinc/88/11/26/915881126.db2.gz	XGNWJZFAWJDBLG-BYCRGOAPSA-N	-1	0	261.237	0.043	20	30		CCEDRM
CC1=CC(=O)C(=C([O-])C=Cc2cn(C)nn2)C(=O)O1	ZINC001329400659	915882376	/nfs/dbraw/zinc/88/23/76/915882376.db2.gz	XGNWJZFAWJDBLG-UFFNRZRYSA-N	-1	0	261.237	0.043	20	30		CCEDRM
C=C[C@@H](C)O[N-]C(=O)C(=O)Nc1cc(C)c(=O)n(C)c1	ZINC001329676049	916117904	/nfs/dbraw/zinc/11/79/04/916117904.db2.gz	UZRVYGXROYBIGF-SECBINFHSA-N	-1	0	279.296	0.255	20	30		CCEDRM
C=CC[C@H](NC(=O)NCCOC[C@H]1CCOC1)C(=O)[O-]	ZINC001332131924	917888300	/nfs/dbraw/zinc/88/83/00/917888300.db2.gz	OZOVEWHWBWRVGM-QWRGUYRKSA-N	-1	0	286.328	0.368	20	30		CCEDRM
C=CC[C@H](NC(=O)c1ccnc(OC)c1)C(=O)[O-]	ZINC001332171338	917932249	/nfs/dbraw/zinc/93/22/49/917932249.db2.gz	AJUQVOWTNINNRK-VIFPVBQESA-N	-1	0	250.254	0.849	20	30		CCEDRM
C#CC[C@@H](NC(=O)c1cc([C@H]2CCCN2C)n[nH]1)C(=O)[O-]	ZINC001332625712	918325639	/nfs/dbraw/zinc/32/56/39/918325639.db2.gz	YXRIIBOCLKFJAL-BXKDBHETSA-N	-1	0	290.323	0.383	20	30		CCEDRM
C=CC[C@H](NC(=O)N[C@@H]1C[C@H](OCC)[C@@H]1OC)C(=O)[O-]	ZINC001333317830	918799064	/nfs/dbraw/zinc/79/90/64/918799064.db2.gz	IPOYXKOQDWFNES-ZRUFSTJUSA-N	-1	0	286.328	0.507	20	30		CCEDRM
C=C(C)C[C@H](NC(C)=O)C(=O)[N-]S(=O)(=O)CCCC	ZINC001333516244	918963166	/nfs/dbraw/zinc/96/31/66/918963166.db2.gz	RZOPQSDLGCEOEV-NSHDSACASA-N	-1	0	290.385	0.703	20	30		CCEDRM
C=CC[C@H](NC(=O)[C@@H]1CCCc2n[nH]cc21)C(=O)[O-]	ZINC001334185874	919408076	/nfs/dbraw/zinc/40/80/76/919408076.db2.gz	GAUJWTRIIOLJAE-KCJUWKMLSA-N	-1	0	263.297	0.975	20	30		CCEDRM
C#CC[C@H](NC(=O)[C@@H]1COc2ccc(F)cc2C1)C(=O)[O-]	ZINC001334201322	919422545	/nfs/dbraw/zinc/42/25/45/919422545.db2.gz	GYDBQQHVQOYEFL-JQWIXIFHSA-N	-1	0	291.278	0.970	20	30		CCEDRM
C=CCC[C@H](NCc1nnn(C(C)(C)C)n1)C(=O)[O-]	ZINC001334776973	919760224	/nfs/dbraw/zinc/76/02/24/919760224.db2.gz	MXGLZZOJGARYNY-VIFPVBQESA-N	-1	0	267.333	0.937	20	30		CCEDRM
CO[N-]C(=O)CNC(=O)C1(c2cccc(C#N)c2)CC1	ZINC001334805872	919780846	/nfs/dbraw/zinc/78/08/46/919780846.db2.gz	KXTPDBCSNWCBFS-UHFFFAOYSA-N	-1	0	273.292	0.384	20	30		CCEDRM
C=CC[C@H](NC(=O)[C@@H]1OC[C@@H]2CCC[C@@H]21)C(=O)[O-]	ZINC001334981133	919881431	/nfs/dbraw/zinc/88/14/31/919881431.db2.gz	RGFFSYIZDNCRJR-XWLWVQCSSA-N	-1	0	253.298	0.947	20	30		CCEDRM
C[C@H]1C[C@H](C)CN(c2[n-]c(=O)n(C)c(=O)c2C#N)C1	ZINC001336433828	920772950	/nfs/dbraw/zinc/77/29/50/920772950.db2.gz	WNZROIWZXRVWGC-IUCAKERBSA-N	-1	0	262.313	0.428	20	30		CCEDRM
Cc1nnc(N=NC(C)[C@@H]2COCCO2)[n-]c1=O	ZINC001340356675	922064272	/nfs/dbraw/zinc/06/42/72/922064272.db2.gz	LSVVFSQGOOSIPE-QMMMGPOBSA-N	-1	0	253.262	0.089	20	30		CCEDRM
Cc1nnc(N=NCC(C)(C)S(C)(=O)=O)[n-]c1=O	ZINC001341146146	922355667	/nfs/dbraw/zinc/35/56/67/922355667.db2.gz	VEWDMCSRGKDQDN-UHFFFAOYSA-N	-1	0	273.318	0.107	20	30		CCEDRM
CNC(=O)c1ccc(C([O-])=C(C#N)C(=O)NC(C)C)cn1	ZINC001341766813	922663968	/nfs/dbraw/zinc/66/39/68/922663968.db2.gz	GCHPHKMMVMVQBD-JTQLQIEISA-N	-1	0	288.307	0.288	20	30		CCEDRM
Cc1ccc(C([O-])=C(C#N)C(=O)N2CCCC2)nn1	ZINC001341918221	922723214	/nfs/dbraw/zinc/72/32/14/922723214.db2.gz	MGDJJIZXDGVVFG-SNVBAGLBSA-N	-1	0	258.281	0.730	20	30		CCEDRM
CNC(=O)C(C#N)=C([O-])c1cc(C(F)(F)F)nn1C	ZINC001342088748	922798277	/nfs/dbraw/zinc/79/82/77/922798277.db2.gz	OJFOVLQNRULJTG-YFKPBYRVSA-N	-1	0	274.202	0.507	20	30		CCEDRM
C=CCNC(=O)C(C#N)=C([O-])c1ccc(-n2ccnc2)nc1	ZINC001343469952	923335489	/nfs/dbraw/zinc/33/54/89/923335489.db2.gz	KAXAEGKBUCLDLS-GFCCVEGCSA-N	-1	0	295.302	0.892	20	30		CCEDRM
COCCNC(=O)C(C#N)=C([O-])c1nccc2occc21	ZINC001343492687	923349115	/nfs/dbraw/zinc/34/91/15/923349115.db2.gz	SJGGZXHALQNIHC-JTQLQIEISA-N	-1	0	287.275	0.913	20	30		CCEDRM
C#C[C@@H](NC(=O)[C@H]1C[C@@H](C(=O)[O-])C1)C1CCOCC1	ZINC001344551714	923635642	/nfs/dbraw/zinc/63/56/42/923635642.db2.gz	VJBOOOZNAZRDBJ-GRYCIOLGSA-N	-1	0	265.309	0.642	20	30		CCEDRM
C=CCN(CC(=O)[O-])C(=O)[C@@H]1OC[C@@H]2COCC[C@H]12	ZINC001345107360	923791635	/nfs/dbraw/zinc/79/16/35/923791635.db2.gz	GZWIADMMTXIBQA-JBLDHEPKSA-N	-1	0	269.297	0.137	20	30		CCEDRM
CNC(=O)C(C#N)=C([O-])c1cc(C(F)(F)F)n(C)n1	ZINC001346293388	924147243	/nfs/dbraw/zinc/14/72/43/924147243.db2.gz	GJDUOITZUMMRGA-YFKPBYRVSA-N	-1	0	274.202	0.507	20	30		CCEDRM
COCCNC(=O)C(C#N)=C([O-])c1cccc(C)n1	ZINC001347062930	924364086	/nfs/dbraw/zinc/36/40/86/924364086.db2.gz	FATJXTBFQXHVAK-SNVBAGLBSA-N	-1	0	261.281	0.475	20	30		CCEDRM
C=CCCO[C@H](C)C(=O)N1CC[C@@H](c2nnn[n-]2)C1	ZINC001347196559	924395784	/nfs/dbraw/zinc/39/57/84/924395784.db2.gz	FPHNSVRGLXTRNU-NXEZZACHSA-N	-1	0	265.317	0.497	20	30		CCEDRM
C=CCC[C@@H]1CCCN1c1[n-]c(=O)n(C)c(=O)c1C#N	ZINC001348389236	924672999	/nfs/dbraw/zinc/67/29/99/924672999.db2.gz	YEXBYHSSJBTPBJ-SNVBAGLBSA-N	-1	0	274.324	0.880	20	30		CCEDRM
C=CC[C@@H](NC(=O)[C@H]1COCCN1CC(F)F)C(=O)[O-]	ZINC001350770083	925274457	/nfs/dbraw/zinc/27/44/57/925274457.db2.gz	XMNXVVTXLSZLTG-RKDXNWHRSA-N	-1	0	292.282	0.098	20	30		CCEDRM
C=CC[C@H](NC(=O)NCCO[C@H]1CCOC1)C(=O)[O-]	ZINC001351010960	925337106	/nfs/dbraw/zinc/33/71/06/925337106.db2.gz	QOYJQJQNQYNFPI-UWVGGRQHSA-N	-1	0	272.301	0.120	20	30		CCEDRM
COc1cccnc1C(=O)Nc1nc(C#N)c(C#N)[n-]1	ZINC001300045278	925593275	/nfs/dbraw/zinc/59/32/75/925593275.db2.gz	ZXUWDEASHFFLBB-UHFFFAOYSA-N	-1	0	268.236	0.809	20	30		CCEDRM
N#Cc1nc(NC(=O)c2cnn3ncccc23)[n-]c1C#N	ZINC001300044779	925594138	/nfs/dbraw/zinc/59/41/38/925594138.db2.gz	LILIFDVGHJAVCB-UHFFFAOYSA-N	-1	0	278.235	0.448	20	30		CCEDRM
C=CC(C)(C)CCNC(=O)C(=O)N[C@H]1C[C@@H](C(=O)[O-])C1	ZINC001353218324	925765884	/nfs/dbraw/zinc/76/58/84/925765884.db2.gz	RQPRJYLTJSMDGU-AOOOYVTPSA-N	-1	0	282.340	0.684	20	30		CCEDRM
C=CCCC(=O)[N-]S(=O)(=O)CCCCS(C)(=O)=O	ZINC001353576806	925877422	/nfs/dbraw/zinc/87/74/22/925877422.db2.gz	ZKPZRNGNBIJGCK-UHFFFAOYSA-N	-1	0	297.398	0.223	20	30		CCEDRM
C#CCn1ccc(CN(CC)C(=O)c2c[n-]ncc2=O)n1	ZINC001353669793	925900613	/nfs/dbraw/zinc/90/06/13/925900613.db2.gz	OOFGGKGCXGFPJP-UHFFFAOYSA-N	-1	0	285.307	0.674	20	30		CCEDRM
C=C(Cl)CNC(=O)CN1CCC[C@@H](C(=O)[O-])C1	ZINC001354040962	925992070	/nfs/dbraw/zinc/99/20/70/925992070.db2.gz	ZNYPCPKDYIOUNJ-SECBINFHSA-N	-1	0	260.721	0.652	20	30		CCEDRM
CN(Cc1ccco1)c1[n-]c(=O)n(C)c(=O)c1C#N	ZINC001354058853	925999338	/nfs/dbraw/zinc/99/93/38/925999338.db2.gz	GESDVWWJZLJMMO-UHFFFAOYSA-N	-1	0	260.253	0.175	20	30		CCEDRM
C#C[C@H](NC(=O)NC[C@@H](CC)C(=O)[O-])[C@@H]1CCCO1	ZINC001356631925	926414865	/nfs/dbraw/zinc/41/48/65/926414865.db2.gz	PTHDVCJZWKGZQP-VWYCJHECSA-N	-1	0	268.313	0.577	20	30		CCEDRM
C=CCCCNC(=O)N[C@H]1CCCCN(CC(=O)[O-])C1=O	ZINC001356631784	926414960	/nfs/dbraw/zinc/41/49/60/926414960.db2.gz	LWYFHNRVZVBUFL-NSHDSACASA-N	-1	0	297.355	0.718	20	30		CCEDRM
C=CC[C@@H](NC(=O)c1c(C)nn(C)c1C)C(=O)[O-]	ZINC000150288826	926945990	/nfs/dbraw/zinc/94/59/90/926945990.db2.gz	BMWMIJTXPYMOFF-SECBINFHSA-N	-1	0	251.286	0.796	20	30		CCEDRM
C=CC[C@@H](NC(=O)Cc1c(C)n[nH]c1C)C(=O)[O-]	ZINC000150043369	926947371	/nfs/dbraw/zinc/94/73/71/926947371.db2.gz	YAIITWWMICSWEI-SNVBAGLBSA-N	-1	0	251.286	0.715	20	30		CCEDRM
C=CC[C@@H](NC(=O)CNC(=O)c1ccc(C)s1)C(=O)[O-]	ZINC000150266894	926947434	/nfs/dbraw/zinc/94/74/34/926947434.db2.gz	WIVZNYMLSDPUIY-SECBINFHSA-N	-1	0	296.348	0.932	20	30		CCEDRM
C=CC[C@H](NC(=O)[C@@H]1CS[C@@]2(C)CCC(=O)N12)C(=O)[O-]	ZINC000150338325	926949386	/nfs/dbraw/zinc/94/93/86/926949386.db2.gz	MFPWCTJLIVJJED-RVBZMBCESA-N	-1	0	298.364	0.586	20	30		CCEDRM
C=CC[C@@H](NC(=O)Cc1c(C)noc1C)C(=O)[O-]	ZINC000150316545	926950224	/nfs/dbraw/zinc/95/02/24/926950224.db2.gz	QOBVONNEVWGECG-SNVBAGLBSA-N	-1	0	252.270	0.979	20	30		CCEDRM
C=CC[C@H](NC(=O)Cc1c(C)noc1C)C(=O)[O-]	ZINC000150316349	926950593	/nfs/dbraw/zinc/95/05/93/926950593.db2.gz	QOBVONNEVWGECG-JTQLQIEISA-N	-1	0	252.270	0.979	20	30		CCEDRM
N#CCOc1ccc(NC(=O)Cn2c(=O)[n-][nH]c2=O)cc1	ZINC001361726520	927280585	/nfs/dbraw/zinc/28/05/85/927280585.db2.gz	XZKWVWWNDWCWPN-UHFFFAOYSA-N	-1	0	289.251	0.230	20	30		CCEDRM
N#Cc1cn(CCC(=O)NC2CCCC2)c(=O)[n-]c1=O	ZINC001361858403	927393037	/nfs/dbraw/zinc/39/30/37/927393037.db2.gz	UALUISQGUBZKPE-UHFFFAOYSA-N	-1	0	276.296	0.269	20	30		CCEDRM
CC(C)CC[C@H](C)NC(=O)Cn1cc(C#N)c(=O)[n-]c1=O	ZINC001361890963	927428196	/nfs/dbraw/zinc/42/81/96/927428196.db2.gz	IADJPZFJWHDRJW-JTQLQIEISA-N	-1	0	292.339	0.761	20	30		CCEDRM
Cc1noc(CCNC(=O)c2[n-]c(=O)c(C#N)cc2C)n1	ZINC001362082842	927594724	/nfs/dbraw/zinc/59/47/24/927594724.db2.gz	HAMUHRMHFMZLOB-UHFFFAOYSA-N	-1	0	287.279	0.631	20	30		CCEDRM
Cc1[nH][nH]c(=O)c1NC(=O)c1[n-]c(=O)c(C#N)cc1C	ZINC001362501278	928103976	/nfs/dbraw/zinc/10/39/76/928103976.db2.gz	IYFUIXBALGTQQF-UHFFFAOYSA-N	-1	0	273.252	0.957	20	30		CCEDRM
Cc1cc(C#N)c(=O)[n-]c1C(=O)NCC1([S@@](C)=O)CC1	ZINC001362547987	928162176	/nfs/dbraw/zinc/16/21/76/928162176.db2.gz	BVJHTEJZIJEYBQ-HXUWFJFHSA-N	-1	0	293.348	0.608	20	30		CCEDRM
Cc1c(C(=O)N(C)Cc2nc(=O)o[n-]2)cnn1CCC#N	ZINC001362605083	928239432	/nfs/dbraw/zinc/23/94/32/928239432.db2.gz	KONHKBLVEZMXGK-UHFFFAOYSA-N	-1	0	290.283	0.054	20	30		CCEDRM
Cc1cc(C#N)c(=O)[n-]c1C(=O)N[C@@H](C)c1ncnn1C	ZINC001362633758	928284325	/nfs/dbraw/zinc/28/43/25/928284325.db2.gz	UEVOEEUHEYYNSE-QMMMGPOBSA-N	-1	0	286.295	0.587	20	30		CCEDRM
Cc1cscc1NC(=O)Cn1cc(C#N)c(=O)[n-]c1=O	ZINC001362654021	928310890	/nfs/dbraw/zinc/31/08/90/928310890.db2.gz	ZPFFEFUVIRXIPX-UHFFFAOYSA-N	-1	0	290.304	0.829	20	30		CCEDRM
CCN(C(=O)c1[n-]c(=O)c(C#N)cc1C)[C@H]1CCNC1=O	ZINC001362725270	928414067	/nfs/dbraw/zinc/41/40/67/928414067.db2.gz	UREIZXPEIYCIIW-JTQLQIEISA-N	-1	0	288.307	0.318	20	30		CCEDRM
CC1(C)CC[C@H]1NC(=O)Cn1cc(C#N)c(=O)[n-]c1=O	ZINC001362808141	928515214	/nfs/dbraw/zinc/51/52/14/928515214.db2.gz	COVJLLJIXUHVSY-SECBINFHSA-N	-1	0	276.296	0.125	20	30		CCEDRM
COc1ccc(CNC(=O)c2c[n-]ncc2=O)cc1C#N	ZINC001362838794	928556898	/nfs/dbraw/zinc/55/68/98/928556898.db2.gz	DUSKRYVDZKMZKD-UHFFFAOYSA-N	-1	0	284.275	0.992	20	30		CCEDRM
COC(=O)C1(CNC(=O)c2[n-]c(=O)c(C#N)cc2C)CC1	ZINC001362953298	928692722	/nfs/dbraw/zinc/69/27/22/928692722.db2.gz	ANOSHDCZACKQQQ-UHFFFAOYSA-N	-1	0	289.291	0.650	20	30		CCEDRM
COCc1cccc(Cn2c(=O)[n-]cc(C#N)c2=O)c1	ZINC001363184773	928955169	/nfs/dbraw/zinc/95/51/69/928955169.db2.gz	LPGFTLAEDDZNQY-UHFFFAOYSA-N	-1	0	271.276	0.603	20	30		CCEDRM
Cc1cc(C#N)c(=O)[n-]c1C(=O)N[C@H]1C(=O)NCC1(C)C	ZINC001363288571	929081343	/nfs/dbraw/zinc/08/13/43/929081343.db2.gz	SNMISCZIMIPLFJ-JTQLQIEISA-N	-1	0	288.307	0.222	20	30		CCEDRM
CC(=O)N1CCCC[C@H]1C(=O)Nc1nc(C#N)c(C#N)[n-]1	ZINC001363467354	929270774	/nfs/dbraw/zinc/27/07/74/929270774.db2.gz	UJQIFKNQAGYXSO-NSHDSACASA-N	-1	0	286.295	0.493	20	30		CCEDRM
Cc1cc(C#N)c(=O)[n-]c1C(=O)N[C@H](CO)C1CCC1	ZINC001363472793	929274455	/nfs/dbraw/zinc/27/44/55/929274455.db2.gz	CAYQWZOPUZSKDZ-LLVKDONJSA-N	-1	0	275.308	0.858	20	30		CCEDRM
CC(C)(C)CC(=O)NCCn1cc(C#N)c(=O)[n-]c1=O	ZINC001363485199	929290073	/nfs/dbraw/zinc/29/00/73/929290073.db2.gz	VCPALCZQWGTQOM-UHFFFAOYSA-N	-1	0	278.312	0.373	20	30		CCEDRM
C[C@H](NC(=O)c1ccc(C#N)n1C)c1nn(C)cc1[O-]	ZINC001363657730	929459612	/nfs/dbraw/zinc/45/96/12/929459612.db2.gz	CDLQGTCPJJMWHL-QMMMGPOBSA-N	-1	0	273.296	0.827	20	30		CCEDRM
Cc1cnccc1Sc1[n-]c(=O)n(C)c(=O)c1C#N	ZINC001363730759	929527921	/nfs/dbraw/zinc/52/79/21/929527921.db2.gz	LXDHZTNGJQASNH-UHFFFAOYSA-N	-1	0	274.305	0.800	20	30		CCEDRM
Cc1cc(C#N)c(=O)[n-]c1C(=O)N1CC[C@](C)(C(N)=O)C1	ZINC001448275149	930866599	/nfs/dbraw/zinc/86/65/99/930866599.db2.gz	GEFDUTNRAVLCRS-AWEZNQCLSA-N	-1	0	288.307	0.305	20	30		CCEDRM
CC1(C#N)CN(C(=O)c2nc[n-]c(=O)c2Br)C1	ZINC001448722683	930959097	/nfs/dbraw/zinc/95/90/97/930959097.db2.gz	QTHJHCOCULUOMM-UHFFFAOYSA-N	-1	0	297.112	0.930	20	30		CCEDRM
C[C@@H](C#N)C(=O)N(C)C1CCN(Cc2n[nH]c(=O)[n-]2)CC1	ZINC001376011607	931020912	/nfs/dbraw/zinc/02/09/12/931020912.db2.gz	LNWNHJVZUGTERS-VIFPVBQESA-N	-1	0	292.343	0.093	20	30		CCEDRM
Cc1cc(C#N)c(=O)[n-]c1C(=O)N[C@@H](CO)c1ccccn1	ZINC001450218347	931249255	/nfs/dbraw/zinc/24/92/55/931249255.db2.gz	HVJQMEXQWJQJRM-LBPRGKRZSA-N	-1	0	298.302	0.826	20	30		CCEDRM
O=C([O-])CC1(NC(=O)C#CC2CC2)CCOCC1	ZINC001601923406	971087202	/nfs/dbraw/zinc/08/72/02/971087202.db2.gz	SMGOVMPEAKLQCP-UHFFFAOYSA-N	-1	0	251.282	0.540	20	30		CCEDRM
C#C[C@@H](CC)NC(=O)C(=O)Nc1ccccc1CC(=O)[O-]	ZINC001602672433	971237299	/nfs/dbraw/zinc/23/72/99/971237299.db2.gz	MNTGJPYBAUIMBA-NSHDSACASA-N	-1	0	288.303	0.780	20	30		CCEDRM
C#CCC1(O)CCN(C(=O)NC[C@H](CC)C(=O)[O-])CC1	ZINC001602674733	971242687	/nfs/dbraw/zinc/24/26/87/971242687.db2.gz	BVVVAYVNDYDEOI-NSHDSACASA-N	-1	0	282.340	0.657	20	30		CCEDRM
C#CC1CCN(C(=O)[C@@]2(C(=O)[O-])CCCO2)CC1	ZINC001602674922	971243364	/nfs/dbraw/zinc/24/33/64/971243364.db2.gz	FPQZMXLZKXYIAX-CYBMUJFWSA-N	-1	0	251.282	0.492	20	30		CCEDRM
C#CC[C@@H](CO)NC(=O)/C=C/c1ccc(C(=O)[O-])o1	ZINC001602675297	971247825	/nfs/dbraw/zinc/24/78/25/971247825.db2.gz	PDCFBDFBWWYETN-IWGCBNPKSA-N	-1	0	263.249	0.491	20	30		CCEDRM
C#CC[C@H](NC(=O)[C@H](OC)C(=O)[O-])c1ccccc1	ZINC001602675521	971251008	/nfs/dbraw/zinc/25/10/08/971251008.db2.gz	YDNQSRDTEYDRPM-RYUDHWBXSA-N	-1	0	261.277	0.967	20	30		CCEDRM
C#CCN(CC(=O)[O-])C(=O)CC(C)(C)CC(=O)OCC	ZINC001602682305	971267990	/nfs/dbraw/zinc/26/79/90/971267990.db2.gz	MFPMNSWEWQUTNL-UHFFFAOYSA-N	-1	0	283.324	0.902	20	30		CCEDRM
C#CCN(CC(=O)[O-])C(=O)[C@@H]1CCn2cc(C)nc2C1	ZINC001602682811	971270058	/nfs/dbraw/zinc/27/00/58/971270058.db2.gz	VBIXXROCTBMXKL-LLVKDONJSA-N	-1	0	275.308	0.300	20	30		CCEDRM
C#CCN(CC(=O)[O-])C(=O)Cc1ccc(C(C)=O)cc1	ZINC001602684038	971277852	/nfs/dbraw/zinc/27/78/52/971277852.db2.gz	OJQLJCQSUHYMKA-UHFFFAOYSA-N	-1	0	273.288	0.978	20	30		CCEDRM
C#CCN(CC(=O)[O-])C(=O)N[C@H]1CCC[C@@H](F)C1	ZINC001602684010	971277934	/nfs/dbraw/zinc/27/79/34/971277934.db2.gz	NRGYCXCJBZGRGN-ZJUUUORDSA-N	-1	0	256.277	0.997	20	30		CCEDRM
C#CCN(CC(=O)[O-])CC(=O)N(C)CC(F)(F)F	ZINC001602695471	971307713	/nfs/dbraw/zinc/30/77/13/971307713.db2.gz	GZOMUKSYEWNZAW-UHFFFAOYSA-N	-1	0	266.219	0.027	20	30		CCEDRM
C#CCN(CC(=O)[O-])S(=O)(=O)c1ccc(C)cc1C#N	ZINC001602699241	971316729	/nfs/dbraw/zinc/31/67/29/971316729.db2.gz	POULTLHMPSVDFH-UHFFFAOYSA-N	-1	0	292.316	0.575	20	30		CCEDRM
C#CCSCCNC(=O)c1cccn(CC(=O)[O-])c1=O	ZINC001602704697	971336287	/nfs/dbraw/zinc/33/62/87/971336287.db2.gz	OOOKMBGSUAWKSU-UHFFFAOYSA-N	-1	0	294.332	0.029	20	30		CCEDRM
C#CCn1ccc(CN(CC)C(=O)NCCC(=O)[O-])n1	ZINC001602704482	971335112	/nfs/dbraw/zinc/33/51/12/971335112.db2.gz	HQCZEKRLLMFRTL-UHFFFAOYSA-N	-1	0	278.312	0.523	20	30		CCEDRM
C#Cc1cccnc1N1C[C@@H]2COC[C@]2(C(=O)[O-])C1	ZINC001602707293	971342828	/nfs/dbraw/zinc/34/28/28/971342828.db2.gz	OYMACZMTPMQVFY-BXUZGUMPSA-N	-1	0	258.277	0.600	20	30		CCEDRM
C=C(C)CONC(=O)N1CC[C@](COC)(C(=O)[O-])C1	ZINC001602710431	971351268	/nfs/dbraw/zinc/35/12/68/971351268.db2.gz	VZYBLRZFPFOHIX-LBPRGKRZSA-N	-1	0	272.301	0.627	20	30		CCEDRM
C=C(CCC(=O)OC)C(=O)N(CC)[C@H](C)C(=O)[O-]	ZINC001602712011	971353247	/nfs/dbraw/zinc/35/32/47/971353247.db2.gz	FSJKNVCWHKMACC-SECBINFHSA-N	-1	0	257.286	0.817	20	30		CCEDRM
C=C[C@@H](COC)NC(=O)C(=O)N1CCC[C@H](CC(=O)[O-])C1	ZINC001602717306	971366585	/nfs/dbraw/zinc/36/65/85/971366585.db2.gz	IARXXALIKDRSAZ-MNOVXSKESA-N	-1	0	298.339	0.017	20	30		CCEDRM
C=CCN(CCC#N)C(=O)[C@H]1CCCN(CC(=O)[O-])C1=O	ZINC001602722686	971388398	/nfs/dbraw/zinc/38/83/98/971388398.db2.gz	GMWUHEYPTLOYTR-LLVKDONJSA-N	-1	0	293.323	0.238	20	30		CCEDRM
C=CCNC(=O)Cc1noc([C@@H]2CC[C@H]2C(=O)[O-])n1	ZINC001602723164	971394106	/nfs/dbraw/zinc/39/41/06/971394106.db2.gz	QGFVLHKDRTZERK-HTQZYQBOSA-N	-1	0	265.269	0.493	20	30		CCEDRM
C=CCOCCCNC(=O)[C@@H]1CCCN(CC(=O)[O-])C1=O	ZINC001602728925	971398762	/nfs/dbraw/zinc/39/87/62/971398762.db2.gz	OVNBQWMDQIWPPE-NSHDSACASA-N	-1	0	298.339	0.019	20	30		CCEDRM
C=CCn1c(C)nnc1N1CC[C@@](COC)(C(=O)[O-])C1	ZINC001602729820	971401663	/nfs/dbraw/zinc/40/16/63/971401663.db2.gz	HTKINPJQTZXRLH-CYBMUJFWSA-N	-1	0	280.328	0.700	20	30		CCEDRM
CC#CC[C@@H](CO)NC(=O)NCCC(C)(C)C(=O)[O-]	ZINC001602735274	971418129	/nfs/dbraw/zinc/41/81/29/971418129.db2.gz	XIFGRYQNHRDSKG-JTQLQIEISA-N	-1	0	270.329	0.561	20	30		CCEDRM
CC(=NOC/C=C\Cl)c1cn(CC(=O)[O-])nn1	ZINC001602737132	971429236	/nfs/dbraw/zinc/42/92/36/971429236.db2.gz	JBXSYPAJYSMHMS-UCUMMZLBSA-N	-1	0	258.665	0.856	20	30		CCEDRM
C#CCN(CC(=O)[O-])C(=O)Cc1ccccc1[N+](=O)[O-]	ZINC000092476974	949144138	/nfs/dbraw/zinc/14/41/38/949144138.db2.gz	BVLAZQNATYXCDS-UHFFFAOYSA-N	-1	0	276.248	0.684	20	30		CCEDRM
O=C([O-])C1(C(=O)N[C@H]2CCCN(O)C2=O)CCCCC1	ZINC001595280247	949973399	/nfs/dbraw/zinc/97/33/99/949973399.db2.gz	UUDICMPOMDCEJC-VIFPVBQESA-N	-1	0	284.312	0.518	20	30		CCEDRM
N#C[C@H]1CN(C(=O)c2ccsc2CC(=O)[O-])CCO1	ZINC000379272209	971627709	/nfs/dbraw/zinc/62/77/09/971627709.db2.gz	MUOSGQXJUFJKFQ-QMMMGPOBSA-N	-1	0	280.305	0.740	20	30		CCEDRM
C#CCN(CC(=O)[O-])C(=O)N[C@H]1CCOC1(C)C	ZINC000328413826	951127542	/nfs/dbraw/zinc/12/75/42/951127542.db2.gz	WCHDVTCXXMAXCQ-VIFPVBQESA-N	-1	0	254.286	0.283	20	30		CCEDRM
C#CCN(CC(=O)[O-])C(=O)NC[C@@H](OC)C(C)C	ZINC000381992371	951217039	/nfs/dbraw/zinc/21/70/39/951217039.db2.gz	GYXIUMOVPZJRDB-SNVBAGLBSA-N	-1	0	256.302	0.387	20	30		CCEDRM
O=C([O-])Cn1cc(C(=O)N(O)Cc2ccc(F)cc2)nn1	ZINC001595139767	952070976	/nfs/dbraw/zinc/07/09/76/952070976.db2.gz	FMBYPGYSARXLFZ-UHFFFAOYSA-N	-1	0	294.242	0.533	20	30		CCEDRM
CCc1cc(NC(=O)[C@](C)(C#N)CC(=O)[O-])nn1C	ZINC001593632916	953586637	/nfs/dbraw/zinc/58/66/37/953586637.db2.gz	KEBKMPLKGBZHPS-LBPRGKRZSA-N	-1	0	264.285	0.926	20	30		CCEDRM
C[C@@H](C(=O)N1C[C@H](C(=O)[O-])CC[C@H]1C)n1cnc(C#N)n1	ZINC001589300615	953691226	/nfs/dbraw/zinc/69/12/26/953691226.db2.gz	YOTDWWPNBBKBMT-KXUCPTDWSA-N	-1	0	291.311	0.422	20	30		CCEDRM
CN(C(=O)[C@@](C)(C#N)CC(=O)[O-])[C@H]1CCCOC1	ZINC001593676114	953928293	/nfs/dbraw/zinc/92/82/93/953928293.db2.gz	KBHSLMFDUJXQIQ-JOYOIKCWSA-N	-1	0	254.286	0.628	20	30		CCEDRM
O=C([O-])[C@@H](C(=O)N[C@H]1CCCN(O)C1=O)C1CCCC1	ZINC001594832704	953989812	/nfs/dbraw/zinc/98/98/12/953989812.db2.gz	KEPDVGQGNUYWOQ-VHSXEESVSA-N	-1	0	284.312	0.374	20	30		CCEDRM
C[C@@H]1CN(C(=O)[C@](C)(C#N)CC(=O)[O-])C[C@H](C)N1CC#N	ZINC001589366025	954194933	/nfs/dbraw/zinc/19/49/33/954194933.db2.gz	FOZMHEHXNWBEGY-WDMOLILDSA-N	-1	0	292.339	0.436	20	30		CCEDRM
O=C([O-])C1(C(=O)NCC#C[C@@H]2CCCCO2)CCC1	ZINC001594856533	954242243	/nfs/dbraw/zinc/24/22/43/954242243.db2.gz	QBDKJEJYUDFNTC-NSHDSACASA-N	-1	0	265.309	0.930	20	30		CCEDRM
CN(CN1C[C@H](C(=O)[O-])CC1=O)CC(C)(C)C#N	ZINC001593756704	954457847	/nfs/dbraw/zinc/45/78/47/954457847.db2.gz	DOBJJXNOXHQPRX-SECBINFHSA-N	-1	0	253.302	0.359	20	30		CCEDRM
CC[C@H](C#N)N(CC)C(=O)c1cccn(CC(=O)[O-])c1=O	ZINC001589426141	954622347	/nfs/dbraw/zinc/62/23/47/954622347.db2.gz	DZNDCTLSRADEIS-SNVBAGLBSA-N	-1	0	291.307	0.697	20	30		CCEDRM
CC[C@H](CNC(=O)c1cnn(CCC#N)c1C)C(=O)[O-]	ZINC001589550973	955215802	/nfs/dbraw/zinc/21/58/02/955215802.db2.gz	QMDAPPHPLPCHQJ-SNVBAGLBSA-N	-1	0	278.312	0.946	20	30		CCEDRM
Cc1nsc(N2CCN(C(=O)C(=O)[O-])CC2)c1C#N	ZINC001594503889	955349523	/nfs/dbraw/zinc/34/95/23/955349523.db2.gz	YAQGMPOCJBWCJZ-UHFFFAOYSA-N	-1	0	280.309	0.056	20	30		CCEDRM
Cc1oc(C#N)cc1C(=O)N1CCO[C@@H](C(=O)[O-])C1	ZINC001594506160	955357983	/nfs/dbraw/zinc/35/79/83/955357983.db2.gz	FVPDNCQRAJZGEL-SNVBAGLBSA-N	-1	0	264.237	0.385	20	30		CCEDRM
CC(C)C[C@@H](NC(=O)[C@@H](C)n1cnc(C#N)n1)C(=O)[O-]	ZINC001603032333	972092926	/nfs/dbraw/zinc/09/29/26/972092926.db2.gz	FJNNXPMAARMRDN-RKDXNWHRSA-N	-1	0	279.300	0.326	20	30		CCEDRM
COC(=O)CC[C@H](NC(=O)c1cscc1C#N)C(=O)[O-]	ZINC001593848608	955439073	/nfs/dbraw/zinc/43/90/73/955439073.db2.gz	MKBHBROAFFEKEZ-VIFPVBQESA-N	-1	0	296.304	0.756	20	30		CCEDRM
C[C@H](CNC(=O)N1CCN(C2CC2)[C@H](C#N)C1)C(=O)[O-]	ZINC001589049778	955648354	/nfs/dbraw/zinc/64/83/54/955648354.db2.gz	IGJMPHXVYCJFRY-MWLCHTKSSA-N	-1	0	280.328	0.089	20	30		CCEDRM
COC(=O)c1occc1CNC(=O)[C@@](C)(C#N)CC(=O)[O-]	ZINC001593897625	955837026	/nfs/dbraw/zinc/83/70/26/955837026.db2.gz	FOVMNDFPZMMMCX-CYBMUJFWSA-N	-1	0	294.263	0.687	20	30		CCEDRM
CO[C@H](C(=O)[O-])C(=O)N(CCC#N)CC(C)(C)C	ZINC001593902283	955882680	/nfs/dbraw/zinc/88/26/80/955882680.db2.gz	OQEKBAGSUJFCLB-VIFPVBQESA-N	-1	0	256.302	0.874	20	30		CCEDRM
CO[C@@H](C(=O)[O-])C(=O)N1CCCC(C)(C)[C@H]1C#N	ZINC001593904422	955895070	/nfs/dbraw/zinc/89/50/70/955895070.db2.gz	FWZYWHWMTYZAIH-RKDXNWHRSA-N	-1	0	254.286	0.627	20	30		CCEDRM
N#C[C@@]1(F)CCN(C(=O)N[C@H]2CCC[C@H]2C(=O)[O-])C1	ZINC001594601415	956135397	/nfs/dbraw/zinc/13/53/97/956135397.db2.gz	BYNZZPOXEWJPQF-PTRXPTGYSA-N	-1	0	269.276	0.887	20	30		CCEDRM
N#CC1(NC(=O)c2cccn(CC(=O)[O-])c2=O)CCC1	ZINC001594601915	956140493	/nfs/dbraw/zinc/14/04/93/956140493.db2.gz	HSMRXMABGOEICI-UHFFFAOYSA-N	-1	0	275.264	0.109	20	30		CCEDRM
N#CC1(COC(=O)[C@H](C(=O)[O-])C2CC2)CCOCC1	ZINC001594603622	956157734	/nfs/dbraw/zinc/15/77/34/956157734.db2.gz	HLLMCUCVOUMXOC-JTQLQIEISA-N	-1	0	267.281	0.961	20	30		CCEDRM
N#CC1(CNC(=O)[C@H]2CO[C@@H](CCC(=O)[O-])C2)CC1	ZINC001594604040	956159319	/nfs/dbraw/zinc/15/93/19/956159319.db2.gz	NPCFUUMPQXTPGN-ZJUUUORDSA-N	-1	0	266.297	0.676	20	30		CCEDRM
N#CC[C@H]1CCCN(C(=O)[C@@H]2CC(C(=O)[O-])=NO2)C1	ZINC001594605584	956167900	/nfs/dbraw/zinc/16/79/00/956167900.db2.gz	FUQONGAKXFNUIG-SCZZXKLOSA-N	-1	0	265.269	0.368	20	30		CCEDRM
N#CC[C@H](OC(=O)[C@H]1CCCN(CC(=O)[O-])C1=O)C1CC1	ZINC001594606116	956177033	/nfs/dbraw/zinc/17/70/33/956177033.db2.gz	OYNTYTQJNFMWSL-QWRGUYRKSA-N	-1	0	294.307	0.545	20	30		CCEDRM
CO[C@@](C)(C(=O)[O-])C(=O)Nc1cc(C)c(C#N)cn1	ZINC001593931021	956179826	/nfs/dbraw/zinc/17/98/26/956179826.db2.gz	XTOVCDBMZUFVGT-GFCCVEGCSA-N	-1	0	263.253	0.690	20	30		CCEDRM
N#C[C@@H]1CN(C(=O)C2(C(=O)[O-])CC=CC2)CCN1C1CC1	ZINC001594606547	956184763	/nfs/dbraw/zinc/18/47/63/956184763.db2.gz	ZTOVNPRDDMKCBG-GFCCVEGCSA-N	-1	0	289.335	0.606	20	30		CCEDRM
N#Cc1ccc(C(=O)NCCOCCOCC(=O)[O-])cc1	ZINC001594617625	956252118	/nfs/dbraw/zinc/25/21/18/956252118.db2.gz	HCFKQUJVMWLJLB-UHFFFAOYSA-N	-1	0	292.291	0.406	20	30		CCEDRM
N#Cc1ccc([C@H](O)C(=O)N(CC(=O)[O-])CC2CC2)cc1	ZINC001594617620	956252618	/nfs/dbraw/zinc/25/26/18/956252618.db2.gz	HBMOCRWVJDGOGS-AWEZNQCLSA-N	-1	0	288.303	0.915	20	30		CCEDRM
N#Cc1ccc(CNC(=O)[C@]2(C(=O)[O-])CCCO2)nc1	ZINC001594620875	956279052	/nfs/dbraw/zinc/27/90/52/956279052.db2.gz	SUXYTHVJHAOIPK-ZDUSSCGKSA-N	-1	0	275.264	0.203	20	30		CCEDRM
N#Cc1cncc(CNC(=O)C2(C(=O)[O-])CCOCC2)c1	ZINC001594632857	956354007	/nfs/dbraw/zinc/35/40/07/956354007.db2.gz	FLLGUARJRKEXLV-UHFFFAOYSA-N	-1	0	289.291	0.451	20	30		CCEDRM
N#Cc1cnc(C(=O)N2CCO[C@H](C(=O)[O-])C2)c(Cl)c1	ZINC001594633555	956358813	/nfs/dbraw/zinc/35/88/13/956358813.db2.gz	VUNXGMTXVHBWIW-VIFPVBQESA-N	-1	0	295.682	0.532	20	30		CCEDRM
C[C@@]1(C#N)CCCN(CCS(=O)(=O)CC(=O)[O-])C1	ZINC001589182298	956535842	/nfs/dbraw/zinc/53/58/42/956535842.db2.gz	YVLNTTWOQCFGQJ-NSHDSACASA-N	-1	0	274.342	0.111	20	30		CCEDRM
C[C@@H](C#N)CN(C(=O)c1cnc(C(=O)[O-])cn1)C1CC1	ZINC001603130095	972221704	/nfs/dbraw/zinc/22/17/04/972221704.db2.gz	RBCSBUIXVLNNAT-QMMMGPOBSA-N	-1	0	274.280	0.939	20	30		CCEDRM
CC[C@@H](CC#N)NS(=O)(=O)c1ccc(C(=O)[O-])o1	ZINC000054176781	957522523	/nfs/dbraw/zinc/52/25/23/957522523.db2.gz	XPXZNFOYJBRWSI-ZETCQYMHSA-N	-1	0	272.282	0.948	20	30		CCEDRM
COC[C@H]1C[C@@H](NC(=O)[C@](C)(C#N)CC(=O)[O-])C1	ZINC001594025917	957720342	/nfs/dbraw/zinc/72/03/42/957720342.db2.gz	LOYGCCDHZPKYTR-SBMIAAHKSA-N	-1	0	254.286	0.532	20	30		CCEDRM
C#CC1(O)CCN(C(=O)[C@@H](C(=O)[O-])C2CCCC2)CC1	ZINC001588385291	957969893	/nfs/dbraw/zinc/96/98/93/957969893.db2.gz	CHTFURDFVSKCIR-LBPRGKRZSA-N	-1	0	279.336	0.864	20	30		CCEDRM
C#C[C@H](CC)NC(=O)N[C@@H]1CCCCN(CC(=O)[O-])C1=O	ZINC001588387158	957985853	/nfs/dbraw/zinc/98/58/53/957985853.db2.gz	GMIHLZANGCJNCO-GHMZBOCLSA-N	-1	0	295.339	0.163	20	30		CCEDRM
C#CCC[C@@H](O)CNC(=O)C1(CC(=O)[O-])CCC1	ZINC001588391523	958023946	/nfs/dbraw/zinc/02/39/46/958023946.db2.gz	IWYXRYOURAMFOD-SNVBAGLBSA-N	-1	0	253.298	0.522	20	30		CCEDRM
C#CCCCC(=O)N1CCO[C@](COC)(C(=O)[O-])C1	ZINC001588391750	958027454	/nfs/dbraw/zinc/02/74/54/958027454.db2.gz	NQJBKZPEWUREOM-CYBMUJFWSA-N	-1	0	269.297	0.119	20	30		CCEDRM
C#CC[C@H]1NC(=O)N(Cc2ccc(C(=O)[O-])cc2)C1=O	ZINC001588391840	958028821	/nfs/dbraw/zinc/02/88/21/958028821.db2.gz	OTDWKXPQEBTPHI-LLVKDONJSA-N	-1	0	272.260	0.829	20	30		CCEDRM
C#CC[C@@H](OC(=O)c1cn(CC(=O)[O-])nn1)C(C)C	ZINC001588392159	958029963	/nfs/dbraw/zinc/02/99/63/958029963.db2.gz	UKXDHVMMRYDULD-SNVBAGLBSA-N	-1	0	265.269	0.567	20	30		CCEDRM
C#CCN(CC(=O)[O-])C(=O)[C@H](C)Oc1ccccn1	ZINC001588397401	958055447	/nfs/dbraw/zinc/05/54/47/958055447.db2.gz	HAMYEUBOXVFHPX-JTQLQIEISA-N	-1	0	262.265	0.395	20	30		CCEDRM
Cc1cc(NC(=O)COCC(=O)[O-])nn1CCC#N	ZINC001594316688	958070396	/nfs/dbraw/zinc/07/03/96/958070396.db2.gz	HLNCDFVGUFOJRZ-UHFFFAOYSA-N	-1	0	266.257	0.145	20	30		CCEDRM
C#CCN(CC(=O)[O-])C(=O)/C=C\c1ccc(OC)c(O)c1	ZINC001588399679	958074165	/nfs/dbraw/zinc/07/41/65/958074165.db2.gz	NPSFVTORWJAJLT-ALCCZGGFSA-N	-1	0	289.287	0.960	20	30		CCEDRM
C#CCN(CC(=O)[O-])C(=O)C=C1CCSCC1	ZINC001588399606	958074224	/nfs/dbraw/zinc/07/42/24/958074224.db2.gz	NCAMBHIAGJHTGE-UHFFFAOYSA-N	-1	0	253.323	0.986	20	30		CCEDRM
C#CCN(CC(=O)[O-])C(=O)[C@@H]1COc2ccc(F)cc2C1	ZINC001588400478	958082423	/nfs/dbraw/zinc/08/24/23/958082423.db2.gz	YNBQGCCUUYJUAQ-NSHDSACASA-N	-1	0	291.278	0.923	20	30		CCEDRM
C#CCN(CC(=O)[O-])C(=O)N[C@H](C)C[C@H]1CCOC1	ZINC001588406732	958096948	/nfs/dbraw/zinc/09/69/48/958096948.db2.gz	DIWKQDKMBPVBKR-GHMZBOCLSA-N	-1	0	268.313	0.531	20	30		CCEDRM
C#CCN(CC(=O)[O-])C(=O)NC[C@H](C)C(=O)OC(C)C	ZINC001588409348	958126106	/nfs/dbraw/zinc/12/61/06/958126106.db2.gz	FZKPAUXHJVHZAA-JTQLQIEISA-N	-1	0	284.312	0.304	20	30		CCEDRM
C#CCN(CC(=O)[O-])C(=O)N[C@@H]1C[C@H]1c1ccco1	ZINC001588411019	958144886	/nfs/dbraw/zinc/14/48/86/958144886.db2.gz	FJTWEIGHZCWTFS-NXEZZACHSA-N	-1	0	262.265	0.865	20	30		CCEDRM
C#CCN(CC(=O)[O-])C(=O)Nc1cc(CC)nn1C	ZINC001588411291	958148838	/nfs/dbraw/zinc/14/88/38/958148838.db2.gz	VHCDRGBOFHCKQH-UHFFFAOYSA-N	-1	0	264.285	0.534	20	30		CCEDRM
C#CCN(CC(=O)[O-])C(=O)Nc1ccc2c(n1)OCCO2	ZINC001588412920	958154783	/nfs/dbraw/zinc/15/47/83/958154783.db2.gz	MXVVANHMCWLUJV-UHFFFAOYSA-N	-1	0	291.263	0.405	20	30		CCEDRM
C#CCN(CC(=O)[O-])C(=O)c1cc(OC(F)F)n(C)n1	ZINC001588416141	958160990	/nfs/dbraw/zinc/16/09/90/958160990.db2.gz	IESIZHBQMXGQQE-UHFFFAOYSA-N	-1	0	287.222	0.182	20	30		CCEDRM
C#CCN(CC(=O)[O-])C(=O)c1cnn(CC(C)C)c1	ZINC001588418796	958185421	/nfs/dbraw/zinc/18/54/21/958185421.db2.gz	UDZVIYBUHOPKDE-UHFFFAOYSA-N	-1	0	263.297	0.699	20	30		CCEDRM
C#CCN(CC(=O)[O-])C(=O)c1ccc2oc(=O)[nH]c2c1	ZINC001588418867	958186971	/nfs/dbraw/zinc/18/69/71/958186971.db2.gz	HMBXGHHFIPSPKE-UHFFFAOYSA-N	-1	0	274.232	0.693	20	30		CCEDRM
C#CCN(CC(=O)[O-])C(=O)c1cccnc1-n1cccn1	ZINC001588419157	958192389	/nfs/dbraw/zinc/19/23/89/958192389.db2.gz	UWNNGLURCYXFJW-UHFFFAOYSA-N	-1	0	284.275	0.427	20	30		CCEDRM
C#CCN(CC(=O)[O-])C(=O)c1cccc(C(=O)OC)n1	ZINC001588419241	958194527	/nfs/dbraw/zinc/19/45/27/958194527.db2.gz	YTVFKITUOFOYNR-UHFFFAOYSA-N	-1	0	276.248	0.028	20	30		CCEDRM
C#CCN(CC(=O)[O-])Cc1cn(C)nc1C1CCOCC1	ZINC001588425216	958223004	/nfs/dbraw/zinc/22/30/04/958223004.db2.gz	JRWRQMNWTUBLDY-UHFFFAOYSA-N	-1	0	291.351	0.834	20	30		CCEDRM
C#CCN(CC(=O)[O-])Cc1cnc([C@H](C)O)s1	ZINC001588425279	958224898	/nfs/dbraw/zinc/22/48/98/958224898.db2.gz	LQEDTJPETMSZOB-QMMMGPOBSA-N	-1	0	254.311	0.716	20	30		CCEDRM
C#CCN(CC(=O)[O-])c1nnc([C@H](O)C=C)n1CC=C	ZINC001588426733	958231752	/nfs/dbraw/zinc/23/17/52/958231752.db2.gz	AJZOKCRTNPFOIU-SNVBAGLBSA-N	-1	0	276.296	0.208	20	30		CCEDRM
C#CCN(CC(=O)[O-])c1nnc(C(C)(C)O)n1CC=C	ZINC001588426774	958233812	/nfs/dbraw/zinc/23/38/12/958233812.db2.gz	BMJPWTYBXPZHBQ-UHFFFAOYSA-N	-1	0	278.312	0.216	20	30		CCEDRM
C#CCN(CC(=O)[O-])c1nnc(CC2CC2)n1CC=C	ZINC001588427245	958242370	/nfs/dbraw/zinc/24/23/70/958242370.db2.gz	RHDVTCSAEBLEGB-UHFFFAOYSA-N	-1	0	274.324	0.941	20	30		CCEDRM
C#CCNC(=O)C1CCN(C(=O)[C@]2(C(=O)[O-])C[C@H]2C)CC1	ZINC001588431030	958264702	/nfs/dbraw/zinc/26/47/02/958264702.db2.gz	SHPVBYSCVLMIAI-BMIGLBTASA-N	-1	0	292.335	0.085	20	30		CCEDRM
C#CCOc1ccc(COC(=O)[C@H](OC)C(=O)[O-])cc1	ZINC001588433917	958302064	/nfs/dbraw/zinc/30/20/64/958302064.db2.gz	XBTBPGHFPPVJCF-GFCCVEGCSA-N	-1	0	278.260	0.841	20	30		CCEDRM
C#Cc1cccc(NC(=O)C(=O)N[C@@H](CC)C(=O)[O-])c1	ZINC001588439034	958309209	/nfs/dbraw/zinc/30/92/09/958309209.db2.gz	FYHGAXYPRSYPEK-NSHDSACASA-N	-1	0	274.276	0.586	20	30		CCEDRM
C=C(C)[C@@H](C)OC(=O)[C@H]1CCCN(CC(=O)[O-])C1=O	ZINC001588439491	958319284	/nfs/dbraw/zinc/31/92/84/958319284.db2.gz	ORHVENSYVFMEDK-ZJUUUORDSA-N	-1	0	269.297	0.817	20	30		CCEDRM
C=C(C)C[C@H](C)C(=O)O[C@H]1CCN(CC(=O)[O-])C1=O	ZINC001588442465	958344152	/nfs/dbraw/zinc/34/41/52/958344152.db2.gz	QXHFOPYJFFYVOI-UWVGGRQHSA-N	-1	0	269.297	0.817	20	30		CCEDRM
C=C(C)C[C@H](C)C(=O)O[C@@H]1CCN(CC(=O)[O-])C1=O	ZINC001588442466	958344839	/nfs/dbraw/zinc/34/48/39/958344839.db2.gz	QXHFOPYJFFYVOI-VHSXEESVSA-N	-1	0	269.297	0.817	20	30		CCEDRM
C=C(C)C[C@@H](CO)NC(=O)[C@@](C)(C#N)CC(=O)[O-]	ZINC001588443004	958349179	/nfs/dbraw/zinc/34/91/79/958349179.db2.gz	XEGVMEXPJIMWAO-JOYOIKCWSA-N	-1	0	254.286	0.434	20	30		CCEDRM
C=C(CC)CNC(=O)C(=O)Nc1cccnc1C(=O)[O-]	ZINC001588444921	958369274	/nfs/dbraw/zinc/36/92/74/958369274.db2.gz	YXDNYAFMVJHQRD-UHFFFAOYSA-N	-1	0	277.280	0.801	20	30		CCEDRM
C=C(Cl)Cn1nnnc1N1CC[C@@H](C(=O)[O-])[C@H](C)C1	ZINC001588445980	958377594	/nfs/dbraw/zinc/37/75/94/958377594.db2.gz	XTSDVQCBEUGUQR-VXNVDRBHSA-N	-1	0	285.735	0.973	20	30		CCEDRM
C=C[C@H](COC)NC(=O)C(=O)Nc1cccc(C(=O)[O-])c1	ZINC001588451465	958412623	/nfs/dbraw/zinc/41/26/23/958412623.db2.gz	XNWWHRLSIOFSSW-SNVBAGLBSA-N	-1	0	292.291	0.641	20	30		CCEDRM
C=CC[C@H](CO)CNC(=O)c1cc(C(=O)[O-])nn1C	ZINC001588452906	958428814	/nfs/dbraw/zinc/42/88/14/958428814.db2.gz	LRNHVGVOKKTXKP-QMMMGPOBSA-N	-1	0	267.285	0.033	20	30		CCEDRM
C=CCN(C(=O)C(=O)N1CCC[C@@H](CC(=O)[O-])C1)C1CC1	ZINC001588460466	958476668	/nfs/dbraw/zinc/47/66/68/958476668.db2.gz	JCLPFJIBMYHGRP-NSHDSACASA-N	-1	0	294.351	0.877	20	30		CCEDRM
C=CCOCC(=O)NC[C@H]1CCC2(CC(C(=O)[O-])C2)O1	ZINC001588465022	958494465	/nfs/dbraw/zinc/49/44/65/958494465.db2.gz	CTALDOQNCMRCEP-IQLKVPPVSA-N	-1	0	283.324	0.718	20	30		CCEDRM
C=CCNC(=O)CNC(=O)Nc1cc(C(=O)[O-])ccn1	ZINC001588465331	958501042	/nfs/dbraw/zinc/50/10/42/958501042.db2.gz	CIZGDENNHQIGRQ-UHFFFAOYSA-N	-1	0	278.268	0.204	20	30		CCEDRM
Cc1nnc(NCCn2cc(C(=O)[O-])nn2)c(C#N)c1C	ZINC000124848200	958547900	/nfs/dbraw/zinc/54/79/00/958547900.db2.gz	CCUHUBRDTXIXHJ-UHFFFAOYSA-N	-1	0	287.283	0.367	20	30		CCEDRM
CC(=O)NCCN(C(=O)c1coc(C#N)c1)[C@@H](C)C(=O)[O-]	ZINC001573348571	958554337	/nfs/dbraw/zinc/55/43/37/958554337.db2.gz	HEYDSXLCRASCAA-QMMMGPOBSA-N	-1	0	293.279	0.203	20	30		CCEDRM
CC#CC[C@@H](CO)NC(=O)c1cccc(OCC(=O)[O-])c1	ZINC001588478638	958570045	/nfs/dbraw/zinc/57/00/45/958570045.db2.gz	FVQKKTMGUVGWNV-LBPRGKRZSA-N	-1	0	291.303	0.654	20	30		CCEDRM
C[C@@](C#N)(CC(=O)[O-])C(=O)N[C@@H]1C[C@@H]2CC[C@H]1O2	ZINC001573365798	958623730	/nfs/dbraw/zinc/62/37/30/958623730.db2.gz	XDCGNHANALZWST-HAYRHPOISA-N	-1	0	252.270	0.427	20	30		CCEDRM
N#Cc1cc(F)ccc1CN1C[C@H](O)C[C@@H]1C(=O)[O-]	ZINC000132258704	958780835	/nfs/dbraw/zinc/78/08/35/958780835.db2.gz	GTMSKLXRKIYUEA-VXGBXAGGSA-N	-1	0	264.256	0.717	20	30		CCEDRM
C[C@](C#N)(CC(=O)[O-])C(=O)N1CC[C@H](OC(F)F)C1	ZINC001588538255	958939625	/nfs/dbraw/zinc/93/96/25/958939625.db2.gz	GHHQFMTUCLIBLU-WRWORJQWSA-N	-1	0	276.239	0.831	20	30		CCEDRM
C[C@](C#N)(CC(=O)[O-])C(=O)N[C@@H](CO)C1CCC1	ZINC001588538734	958944273	/nfs/dbraw/zinc/94/42/73/958944273.db2.gz	NDRKIJMZSPTONH-JOYOIKCWSA-N	-1	0	254.286	0.268	20	30		CCEDRM
CC(C)(C)n1nnc(CNC(=O)[C@@](C)(C#N)CC(=O)[O-])n1	ZINC001588542054	958968768	/nfs/dbraw/zinc/96/87/68/958968768.db2.gz	RDOCLRXFNUMGSV-GFCCVEGCSA-N	-1	0	294.315	0.049	20	30		CCEDRM
C#CC[C@@H](NC(=O)COc1ccccc1F)C(=O)[O-]	ZINC000149587797	959019285	/nfs/dbraw/zinc/01/92/85/959019285.db2.gz	ZZACLBKMBUHJBX-SNVBAGLBSA-N	-1	0	265.240	0.797	20	30		CCEDRM
C#CC[C@@H](NC(=O)c1cnn(C)c1-n1cccc1)C(=O)[O-]	ZINC000149851336	959029731	/nfs/dbraw/zinc/02/97/31/959029731.db2.gz	MPNJROBFHZQEBQ-LLVKDONJSA-N	-1	0	286.291	0.417	20	30		CCEDRM
C[C@@](C#N)(CC(=O)[O-])C(=O)NCCC1(O)CCC1	ZINC001588557713	959071548	/nfs/dbraw/zinc/07/15/48/959071548.db2.gz	KFLLQOKRWGFRNJ-NSHDSACASA-N	-1	0	254.286	0.412	20	30		CCEDRM
COC[C@H](NC(=O)[C@H](C)Oc1ccc(C#N)cc1)C(=O)[O-]	ZINC000158367882	959090198	/nfs/dbraw/zinc/09/01/98/959090198.db2.gz	ZUGFSVGGSGLPCO-CABZTGNLSA-N	-1	0	292.291	0.541	20	30		CCEDRM
C#CC[C@H](NS(=O)(=O)Cc1ccc(C#N)cc1)C(=O)[O-]	ZINC000159570076	959119521	/nfs/dbraw/zinc/11/95/21/959119521.db2.gz	WLDKWEDZPKMAGT-LBPRGKRZSA-N	-1	0	292.316	0.454	20	30		CCEDRM
C[C@@H](CC#N)N(C)S(=O)(=O)N1[C@H](C)CC[C@@H]1C(=O)[O-]	ZINC001573577311	959334549	/nfs/dbraw/zinc/33/45/49/959334549.db2.gz	UEOSVIQBSWWPIF-IVZWLZJFSA-N	-1	0	289.357	0.403	20	30		CCEDRM
C[C@](O)(CNC(=O)c1c[nH]c2cccc(C#N)c21)C(=O)[O-]	ZINC001573580182	959349460	/nfs/dbraw/zinc/34/94/60/959349460.db2.gz	CBWZTASSJAXIQN-AWEZNQCLSA-N	-1	0	287.275	0.605	20	30		CCEDRM
C[C@@H]1C[C@@]1(C(=O)[O-])C(=O)NCC#C[C@@H]1CCCCO1	ZINC001594225709	959423112	/nfs/dbraw/zinc/42/31/12/959423112.db2.gz	PCOXBZXZRJNNAS-SUNKGSAMSA-N	-1	0	265.309	0.786	20	30		CCEDRM
C[C@@H]1C[C@@]1(C(=O)[O-])C(=O)NCc1nc(C#N)cs1	ZINC001594228062	959448162	/nfs/dbraw/zinc/44/81/62/959448162.db2.gz	DXAANKSRHGGKIA-KBUNVGBDSA-N	-1	0	265.294	0.742	20	30		CCEDRM
CC(C)(C(=O)[O-])C(=O)NC[C@@H]1CCCN(CC#N)C1	ZINC001588611363	959511738	/nfs/dbraw/zinc/51/17/38/959511738.db2.gz	MCPZXYIKTZBCDJ-JTQLQIEISA-N	-1	0	267.329	0.449	20	30		CCEDRM
C[C@H](O)C(C)(C)CNC(=O)[C@](C)(C#N)CC(=O)[O-]	ZINC001573634743	959583787	/nfs/dbraw/zinc/58/37/87/959583787.db2.gz	HOEADUJTQUWLGE-UFBFGSQYSA-N	-1	0	256.302	0.514	20	30		CCEDRM
C[C@](O)(CNc1cc(C#N)nc(C2CC2)n1)C(=O)[O-]	ZINC001603263450	972449677	/nfs/dbraw/zinc/44/96/77/972449677.db2.gz	LITAHKRUFBYDFY-LBPRGKRZSA-N	-1	0	262.269	0.473	20	30		CCEDRM
N#Cc1cccc(CNC(=O)[C@H]2CC[C@@H](C(=O)[O-])O2)c1	ZINC000222477654	959817432	/nfs/dbraw/zinc/81/74/32/959817432.db2.gz	SGCYLRIKJWHCBV-NEPJUHHUSA-N	-1	0	274.276	0.807	20	30		CCEDRM
CC(C)[C@@](C)(C#N)NC(=O)[C@H](C)OC(=O)[C@H](C)C(=O)[O-]	ZINC001603268201	972463700	/nfs/dbraw/zinc/46/37/00/972463700.db2.gz	FQKFSFLLBFFJTO-VYUIOLGVSA-N	-1	0	284.312	0.693	20	30		CCEDRM
C#C[C@H](CC)NS(=O)(=O)N1CCC(C(=O)[O-])CC1	ZINC000229870862	960099210	/nfs/dbraw/zinc/09/92/10/960099210.db2.gz	WJSRSUVPCSCZGO-SNVBAGLBSA-N	-1	0	274.342	0.029	20	30		CCEDRM
N#Cc1cnc(N2CC[C@H](C(=O)[O-])C2)c([N+](=O)[O-])c1	ZINC000236440564	960605069	/nfs/dbraw/zinc/60/50/69/960605069.db2.gz	TXXSDEUKVAJNEX-QMMMGPOBSA-N	-1	0	262.225	0.772	20	30		CCEDRM
CN(C[C@@H](O)c1cccc(C#N)c1)C(=O)CCC(=O)[O-]	ZINC001604124275	972524483	/nfs/dbraw/zinc/52/44/83/972524483.db2.gz	GIHKPPIBKLZBBC-GFCCVEGCSA-N	-1	0	276.292	0.915	20	30		CCEDRM
N#Cc1ccc(S(=O)(=O)N[C@H](CC2CC2)C(=O)[O-])nc1	ZINC001571054096	960701726	/nfs/dbraw/zinc/70/17/26/960701726.db2.gz	ADYBZEWBYJUILL-SNVBAGLBSA-N	-1	0	295.320	0.485	20	30		CCEDRM
N#Cc1cccc(C(=O)N2CC(c3cc(C(=O)[O-])n[nH]3)C2)n1	ZINC001571062371	960789856	/nfs/dbraw/zinc/78/98/56/960789856.db2.gz	XZEDXMGMHJHHBA-UHFFFAOYSA-N	-1	0	297.274	0.614	20	30		CCEDRM
CC(C)[C@H](C#N)OC(=O)c1cc(C(=O)[O-])nn1C	ZINC001588801445	961425571	/nfs/dbraw/zinc/42/55/71/961425571.db2.gz	CGJFURAIMGGYDX-VIFPVBQESA-N	-1	0	251.242	0.823	20	30		CCEDRM
Cn1cc(C#N)c(NC(=O)NCC2(C(=O)[O-])CCC2)n1	ZINC001574448730	961461016	/nfs/dbraw/zinc/46/10/16/961461016.db2.gz	DGBLUJDZJCFFKQ-UHFFFAOYSA-N	-1	0	277.284	0.668	20	30		CCEDRM
CC(C)[C@](C)(C#N)NC(=O)CN(CC(=O)[O-])CC1CC1	ZINC001588811968	961523622	/nfs/dbraw/zinc/52/36/22/961523622.db2.gz	GXWIKPIRTBRYPL-AWEZNQCLSA-N	-1	0	281.356	0.837	20	30		CCEDRM
CC(C)[C@H](C(=O)[O-])C(=O)OCc1ncc(C#N)cn1	ZINC001588813004	961534052	/nfs/dbraw/zinc/53/40/52/961534052.db2.gz	IKFJQPFCBCUZLJ-SNVBAGLBSA-N	-1	0	263.253	0.748	20	30		CCEDRM
N#Cc1cc(C(=O)N[C@@]2(C(=O)[O-])CCOC2)co1	ZINC001574479152	961648737	/nfs/dbraw/zinc/64/87/37/961648737.db2.gz	FEVVDYOTEHEXTJ-NSHDSACASA-N	-1	0	250.210	0.125	20	30		CCEDRM
N#CCC1(CNC(=O)[C@@H]2CC(C(=O)[O-])=NO2)CC1	ZINC001574480564	961663997	/nfs/dbraw/zinc/66/39/97/961663997.db2.gz	LTRDMLVFLHJYFB-QMMMGPOBSA-N	-1	0	251.242	0.026	20	30		CCEDRM
N#CC[C@]1(O)CCN(C(=O)Nc2cncc(C(=O)[O-])c2)C1	ZINC001574481192	961672000	/nfs/dbraw/zinc/67/20/00/961672000.db2.gz	WMOUTMHDFYLPPY-ZDUSSCGKSA-N	-1	0	290.279	0.662	20	30		CCEDRM
N#Cc1ccc(CNC(=O)[C@@H]2CC(C(=O)[O-])=NO2)s1	ZINC001574486104	961681681	/nfs/dbraw/zinc/68/16/81/961681681.db2.gz	QMYTUFOWICUKAX-VIFPVBQESA-N	-1	0	279.277	0.465	20	30		CCEDRM
N#Cc1cncc(CNC(=O)c2cnc(C(=O)[O-])cn2)c1	ZINC001574493450	961719569	/nfs/dbraw/zinc/71/95/69/961719569.db2.gz	MEKJMARDJAJMOL-UHFFFAOYSA-N	-1	0	283.247	0.371	20	30		CCEDRM
N#Cc1nccnc1N[C@@H]1CCCCN(CC(=O)[O-])C1=O	ZINC001574493765	961720920	/nfs/dbraw/zinc/72/09/20/961720920.db2.gz	QGCUATDFFMSOHC-SECBINFHSA-N	-1	0	289.295	0.226	20	30		CCEDRM
C#CC[C@H](CCOC)NC(=O)CC[C@@H]1C[C@H](C(=O)[O-])CO1	ZINC001573301781	962635984	/nfs/dbraw/zinc/63/59/84/962635984.db2.gz	FGLXIADODQHRAM-YNEHKIRRSA-N	-1	0	297.351	0.801	20	30		CCEDRM
C#C[C@@H](CC)NC(=O)[C@H]1CC[C@@H](CCC(=O)[O-])O1	ZINC001573301917	962639791	/nfs/dbraw/zinc/63/97/91/962639791.db2.gz	GZOOTOGJRIITIQ-GARJFASQSA-N	-1	0	253.298	0.927	20	30		CCEDRM
C#CCCCC(=O)N(C)C1CN(C(=O)[C@@H]2C[C@@H]2C(=O)[O-])C1	ZINC001573302376	962651117	/nfs/dbraw/zinc/65/11/17/962651117.db2.gz	AYCCGMHJAUZIRR-NEPJUHHUSA-N	-1	0	292.335	0.180	20	30		CCEDRM
C#CC[C@@H](NC(=O)c1ccc2[nH]c(CO)nc2c1)C(=O)[O-]	ZINC001573303912	962683676	/nfs/dbraw/zinc/68/36/76/962683676.db2.gz	UNEUYOMVJGPDAA-SNVBAGLBSA-N	-1	0	287.275	0.262	20	30		CCEDRM
C#CCOCCC(=O)N(CCC(F)(F)F)CC(=O)[O-]	ZINC001573311102	962695091	/nfs/dbraw/zinc/69/50/91/962695091.db2.gz	HSKFUHMNPDDIGF-UHFFFAOYSA-N	-1	0	281.230	0.892	20	30		CCEDRM
C=C(C)C[C@H](C)C(=O)N[C@@H](C)CCNC(=O)CNC(=O)[O-]	ZINC001573319851	962746624	/nfs/dbraw/zinc/74/66/24/962746624.db2.gz	BLVCWURTKFQNRI-QWRGUYRKSA-N	-1	0	299.371	0.867	20	30		CCEDRM
C[C@H](CC#N)C(=O)OCC1(C(=O)[O-])CCOCC1	ZINC001588987782	962765969	/nfs/dbraw/zinc/76/59/69/962765969.db2.gz	GAWJIUTXWBPWTR-SECBINFHSA-N	-1	0	255.270	0.961	20	30		CCEDRM
C=C(C)C[C@H](NC(=O)Cc1ccc(C(N)=O)nc1)C(=O)[O-]	ZINC001573322214	962767684	/nfs/dbraw/zinc/76/76/84/962767684.db2.gz	VUYLVKGYVKMQPZ-NSHDSACASA-N	-1	0	291.307	0.259	20	30		CCEDRM
C=C(C)C[C@H](NC(=O)c1cn(C[C@H](O)CC)nn1)C(=O)[O-]	ZINC001573323944	962777876	/nfs/dbraw/zinc/77/78/76/962777876.db2.gz	JLZKCVNOKZCGSP-ZJUUUORDSA-N	-1	0	296.327	0.198	20	30		CCEDRM
C#CC[C@@H](NS(=O)(=O)c1cn(CC(C)C)cn1)C(=O)[O-]	ZINC000275041475	962817915	/nfs/dbraw/zinc/81/79/15/962817915.db2.gz	RFAZEAMDKGLQLC-SNVBAGLBSA-N	-1	0	299.352	0.294	20	30		CCEDRM
C=C(CCC(=O)[O-])C(=O)NC[C@]1(C)CCC(=O)N1	ZINC001573331917	962819905	/nfs/dbraw/zinc/81/99/05/962819905.db2.gz	AYMDGQKWRJFOMP-LBPRGKRZSA-N	-1	0	254.286	0.192	20	30		CCEDRM
C[C@@H](CC(=O)[O-])NC(=O)C(=O)Nc1ccc(F)c(C#N)c1	ZINC001588993756	962820049	/nfs/dbraw/zinc/82/00/49/962820049.db2.gz	IEIWKBGDBIYUSR-ZETCQYMHSA-N	-1	0	293.254	0.615	20	30		CCEDRM
C=C(CCC(=O)[O-])C(=O)NC1(C#N)CCOCC1	ZINC001573333249	962855039	/nfs/dbraw/zinc/85/50/39/962855039.db2.gz	XEWWGJVTPWCTCE-UHFFFAOYSA-N	-1	0	252.270	0.596	20	30		CCEDRM
C=C(Cl)CN(C)CCN(C)C(=O)[C@H]1C[C@@H]1C(=O)[O-]	ZINC001573338434	962873749	/nfs/dbraw/zinc/87/37/49/962873749.db2.gz	AWMGDPRSFPJLTB-UWVGGRQHSA-N	-1	0	274.748	0.850	20	30		CCEDRM
C=C[C@@H]1OCC[C@H]1NC(=O)c1cc(C(=O)[O-])nn1C	ZINC001573340574	962900126	/nfs/dbraw/zinc/90/01/26/962900126.db2.gz	SLTKNGYJPUZFCV-XCBNKYQSSA-N	-1	0	265.269	0.192	20	30		CCEDRM
CC(=O)N[C@@H](C[S@@](=O)Cc1ccccc1C#N)C(=O)[O-]	ZINC000300444485	963006713	/nfs/dbraw/zinc/00/67/13/963006713.db2.gz	AXROPOKFNXIMLQ-YUNKPMOVSA-N	-1	0	294.332	0.396	20	30		CCEDRM
C=CCCCC(=O)N(C)[C@@H](C)CNC(=O)CNC(=O)[O-]	ZINC001573356743	963010965	/nfs/dbraw/zinc/01/09/65/963010965.db2.gz	GMIHDIMAUCJKBI-JTQLQIEISA-N	-1	0	285.344	0.573	20	30		CCEDRM
CC(=O)N[C@@H](CSc1ccc(C#N)cn1)C(=O)[O-]	ZINC000300450526	963011371	/nfs/dbraw/zinc/01/13/71/963011371.db2.gz	YTAYHAOONOIYQC-VIFPVBQESA-N	-1	0	265.294	0.635	20	30		CCEDRM
C#CCN(CC#N)S(=O)(=O)c1c(C)csc1C(=O)[O-]	ZINC000305970239	963169560	/nfs/dbraw/zinc/16/95/60/963169560.db2.gz	YPPIRZXXCUMZNP-UHFFFAOYSA-N	-1	0	298.345	0.902	20	30		CCEDRM
C#CC[C@@H](NC(=O)/C=C\c1ccc(O)cc1)C(=O)[O-]	ZINC000311257108	963470712	/nfs/dbraw/zinc/47/07/12/963470712.db2.gz	DLXHBQDATTYGMY-OJIASSBASA-N	-1	0	259.261	0.998	20	30		CCEDRM
C#CCN(CC1CC1)S(=O)(=O)c1cc(C(=O)[O-])ccn1	ZINC000312394678	963559184	/nfs/dbraw/zinc/55/91/84/963559184.db2.gz	DERVHIVAVONESX-UHFFFAOYSA-N	-1	0	294.332	0.814	20	30		CCEDRM
C#CCC[C@H](O)CNc1ccc(C(=O)[O-])nc1C#N	ZINC001588435337	964020283	/nfs/dbraw/zinc/02/02/83/964020283.db2.gz	LXDYUWINWINCNM-VIFPVBQESA-N	-1	0	259.265	0.838	20	30		CCEDRM
C#CCC[C@@H](O)CNC(=O)N[C@H]1CC[C@@H](C(=O)[O-])C1	ZINC001588435413	964023083	/nfs/dbraw/zinc/02/30/83/964023083.db2.gz	PIDLRJFFCBNNSB-OUAUKWLOSA-N	-1	0	268.313	0.313	20	30		CCEDRM
C#CCCCNC(=O)C(=O)NCC(C)(C)CC(=O)[O-]	ZINC001588446192	964068714	/nfs/dbraw/zinc/06/87/14/964068714.db2.gz	CPMYIRSWSNKBRL-UHFFFAOYSA-N	-1	0	268.313	0.133	20	30		CCEDRM
C#CCCCc1nnc(N2CC[C@@](OC)(C(=O)[O-])C2)n1C	ZINC001588447299	964085770	/nfs/dbraw/zinc/08/57/70/964085770.db2.gz	VZIPFZOUSSCEQT-AWEZNQCLSA-N	-1	0	292.339	0.451	20	30		CCEDRM
C#CCN(CC(=O)[O-])C(=O)N[C@@H]1CSC[C@H]1C	ZINC000397864282	968259658	/nfs/dbraw/zinc/25/96/58/968259658.db2.gz	ZHVQHBCPKNOKBC-RKDXNWHRSA-N	-1	0	256.327	0.467	20	30		CCEDRM
C#CCN(C(=O)C(=O)N1CC[C@H](C(=O)[O-])C1)C1CCCC1	ZINC001609623779	970422277	/nfs/dbraw/zinc/42/22/77/970422277.db2.gz	BJUKSNJUXPWSAX-NSHDSACASA-N	-1	0	292.335	0.324	20	30		CCEDRM
C[C@](C#N)(CC(=O)[O-])C(=O)NCc1nc2cccnc2[nH]1	ZINC001609693065	970453780	/nfs/dbraw/zinc/45/37/80/970453780.db2.gz	SKSLQVYAGOUXRO-CYBMUJFWSA-N	-1	0	287.279	0.579	20	30		CCEDRM
C[C@H](C(=O)[O-])C(=O)Nc1cnn(-c2ncccc2C#N)c1	ZINC001609706044	970478648	/nfs/dbraw/zinc/47/86/48/970478648.db2.gz	KWRAJDQVJRXQBP-QMMMGPOBSA-N	-1	0	285.263	0.798	20	30		CCEDRM
CC(C)c1nnc(NC(=O)[C@@](C)(C#N)CC(=O)[O-])[nH]1	ZINC001609863155	970552782	/nfs/dbraw/zinc/55/27/82/970552782.db2.gz	PFMFALYVJLWPNJ-LLVKDONJSA-N	-1	0	265.273	0.871	20	30		CCEDRM
C=CC[C@@H](CO)NS(=O)(=O)c1ccsc1C(=O)[O-]	ZINC000320170891	970624057	/nfs/dbraw/zinc/62/40/57/970624057.db2.gz	QPLQJPGRGQIKGD-ZETCQYMHSA-N	-1	0	291.350	0.662	20	30		CCEDRM
C=CCC[C@H](CO)NC(=O)[C@H]1CC[C@@H](C(=O)[O-])O1	ZINC000320197096	970628893	/nfs/dbraw/zinc/62/88/93/970628893.db2.gz	VQQRDMINOHBLTN-BBBLOLIVSA-N	-1	0	257.286	0.062	20	30		CCEDRM
CC1(C#N)CCN(C(=O)C(=O)N2CC[C@@H](C(=O)[O-])C2)CC1	ZINC001610018291	970639731	/nfs/dbraw/zinc/63/97/31/970639731.db2.gz	GXWUZLGTAGPALQ-SNVBAGLBSA-N	-1	0	293.323	0.072	20	30		CCEDRM
C[C@@]1(C#N)CN(C(=O)CCCCC(=O)[O-])CCO1	ZINC001603290207	972544009	/nfs/dbraw/zinc/54/40/09/972544009.db2.gz	FIBMCRNROLPLAC-GFCCVEGCSA-N	-1	0	254.286	0.772	20	30		CCEDRM
C[C@@]1(C#N)CN(C(=O)C2(C(=O)[O-])CCOCC2)CCO1	ZINC001603290477	972545849	/nfs/dbraw/zinc/54/58/49/972545849.db2.gz	NQTUEHQQVOJQJK-GFCCVEGCSA-N	-1	0	282.296	0.009	20	30		CCEDRM
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Cn1ccnc1[C@H](C#N)C(=O)[C@@H]1CO[C@@H](CCC(=O)[O-])C1	ZINC001605511300	973685738	/nfs/dbraw/zinc/68/57/38/973685738.db2.gz	GIEURGBPQKYVKZ-GARJFASQSA-N	-1	0	291.307	0.866	20	30		CCEDRM
N#C[C@H](OC(=O)[C@@H]1CCCN(CC(=O)[O-])C1=O)C1CC1	ZINC001605575749	973840478	/nfs/dbraw/zinc/84/04/78/973840478.db2.gz	DFFJNJYDXLFPAB-ZJUUUORDSA-N	-1	0	280.280	0.155	20	30		CCEDRM
N#CC1(OC(=O)c2cccn(CC(=O)[O-])c2=O)CCC1	ZINC001605583080	973870360	/nfs/dbraw/zinc/87/03/60/973870360.db2.gz	KYIZFIQJYOFKGA-UHFFFAOYSA-N	-1	0	276.248	0.536	20	30		CCEDRM
N#Cc1cc(N[C@@H]2CCCCN(CC(=O)[O-])C2=O)ccn1	ZINC001605597191	973896376	/nfs/dbraw/zinc/89/63/76/973896376.db2.gz	GDQPXLNVDOYUPC-GFCCVEGCSA-N	-1	0	288.307	0.253	20	30		CCEDRM
N#Cc1ccc(NCC(=O)N[C@H]2C[C@H](C(=O)[O-])C2)cc1	ZINC001605612017	973922888	/nfs/dbraw/zinc/92/28/88/973922888.db2.gz	FBEXPBGXMDWYKZ-UMSPYCQHSA-N	-1	0	273.292	0.950	20	30		CCEDRM
N#Cc1ccsc1NC(=O)N1CCO[C@@H](C(=O)[O-])C1	ZINC001605623135	973948454	/nfs/dbraw/zinc/94/84/54/973948454.db2.gz	XGLDWLYUZDSOLY-MRVPVSSYSA-N	-1	0	281.293	0.937	20	30		CCEDRM
COc1ccc(C#N)cc1NC(=O)NC[C@@](C)(O)C(=O)[O-]	ZINC001604756893	973974129	/nfs/dbraw/zinc/97/41/29/973974129.db2.gz	VHABFKBPWJDGFM-CYBMUJFWSA-N	-1	0	293.279	0.524	20	30		CCEDRM
COc1ccc(C#N)cc1NC(=O)NC[C@](C)(O)C(=O)[O-]	ZINC001604756894	973974421	/nfs/dbraw/zinc/97/44/21/973974421.db2.gz	VHABFKBPWJDGFM-ZDUSSCGKSA-N	-1	0	293.279	0.524	20	30		CCEDRM
CCCN1C[C@@H](CNC(=O)[C@@](C)(C#N)CC(=O)[O-])CC1=O	ZINC001603672534	974049961	/nfs/dbraw/zinc/04/99/61/974049961.db2.gz	JOFVLWDZUHECTC-QMTHXVAHSA-N	-1	0	295.339	0.366	20	30		CCEDRM
CN(C(=O)COC(=O)C1(CC(=O)[O-])CCC1)C(C)(C)C#N	ZINC001604028545	974552592	/nfs/dbraw/zinc/55/25/92/974552592.db2.gz	IJKMTJAYOLZDEU-UHFFFAOYSA-N	-1	0	296.323	0.935	20	30		CCEDRM
CC(C)Nc1ccc(C(=O)N(CC#N)CC(=O)[O-])cn1	ZINC001591667751	975420617	/nfs/dbraw/zinc/42/06/17/975420617.db2.gz	BDRQZZROXOBKFN-UHFFFAOYSA-N	-1	0	276.296	0.952	20	30		CCEDRM
CC(C)OCCS(=O)(=O)N(CC#N)CCC(=O)[O-]	ZINC001591727061	975693250	/nfs/dbraw/zinc/69/32/50/975693250.db2.gz	UDBWVWTYPNBYLY-UHFFFAOYSA-N	-1	0	278.330	0.041	20	30		CCEDRM
CC[C@@H](CC#N)NC(=O)Nc1c(C(=O)[O-])cnn1C	ZINC001595030598	979169082	/nfs/dbraw/zinc/16/90/82/979169082.db2.gz	SYIOHLASTAHGND-ZETCQYMHSA-N	-1	0	265.273	0.932	20	30		CCEDRM
C[C@@](CO)(NC(=O)C(=O)/C=C\c1ccc(F)cc1)C(=O)[O-]	ZINC001592734530	979261985	/nfs/dbraw/zinc/26/19/85/979261985.db2.gz	XKCGLNGRRHUTJH-ZBKLQPJUSA-N	-1	0	295.266	0.360	20	30		CCEDRM
CC[C@@H]1CN(c2ccc(C(=O)[O-])nc2C#N)C[C@H]1O	ZINC001595491768	981251424	/nfs/dbraw/zinc/25/14/24/981251424.db2.gz	CLBVDJNEZJWMKP-PRHODGIISA-N	-1	0	261.281	0.859	20	30		CCEDRM
CC[C@@H](C)[C@H](NC(=O)Cn1cc(C#N)cn1)C(=O)[O-]	ZINC001594908183	982396910	/nfs/dbraw/zinc/39/69/10/982396910.db2.gz	DNJLQINVEZDYJO-KCJUWKMLSA-N	-1	0	264.285	0.370	20	30		CCEDRM
Cc1[nH]c(C#N)cc1C(=O)Nc1nn(C)cc1C(=O)[O-]	ZINC001574111519	983169673	/nfs/dbraw/zinc/16/96/73/983169673.db2.gz	FTACQQHTTMACQJ-UHFFFAOYSA-N	-1	0	273.252	0.879	20	30		CCEDRM
CCCS(=O)(=O)CCn1cc(C(=O)[O-])cc(C#N)c1=O	ZINC001595979822	983216087	/nfs/dbraw/zinc/21/60/87/983216087.db2.gz	ACTJZVPQVLLICU-UHFFFAOYSA-N	-1	0	298.320	0.243	20	30		CCEDRM
C#CC(=O)N1C[C@@H](c2ccc(O)cc2)[C@H](C(=O)[O-])C1	ZINC001588367446	983299625	/nfs/dbraw/zinc/29/96/25/983299625.db2.gz	TXOSFLULUROFLL-NWDGAFQWSA-N	-1	0	259.261	0.652	20	30		CCEDRM
C#C[C@@H](C)N(C)S(=O)(=O)c1cc(C(=O)[O-])co1	ZINC001588367763	983301034	/nfs/dbraw/zinc/30/10/34/983301034.db2.gz	BIJNWUADXMBXRL-SSDOTTSWSA-N	-1	0	257.267	0.620	20	30		CCEDRM
C#C[C@@H](C)NC(=O)C(=O)Nc1cc(C(=O)[O-])ccc1C	ZINC001588367962	983302889	/nfs/dbraw/zinc/30/28/89/983302889.db2.gz	DXQYWPMOUBVFFK-SECBINFHSA-N	-1	0	274.276	0.770	20	30		CCEDRM
C#C[C@@H](C)NS(=O)(=O)c1cc(F)ccc1C(=O)[O-]	ZINC001588368918	983308519	/nfs/dbraw/zinc/30/85/19/983308519.db2.gz	VCAIVRFHRIPHHN-SSDOTTSWSA-N	-1	0	271.269	0.824	20	30		CCEDRM
C#C[C@@H](CO)NC(=O)Nc1ccc([C@@H](C)C(=O)[O-])cc1	ZINC001588370404	983319092	/nfs/dbraw/zinc/31/90/92/983319092.db2.gz	CGBZDCNAIHDXML-KOLCDFICSA-N	-1	0	276.292	0.990	20	30		CCEDRM
C#C[C@@H](CO)NC(=O)Nc1cc(C(=O)[O-])cs1	ZINC001588370928	983323290	/nfs/dbraw/zinc/32/32/90/983323290.db2.gz	QYXQFGZBXPWHSY-ZETCQYMHSA-N	-1	0	254.267	0.562	20	30		CCEDRM
C#C[C@H](NC(=O)NCCSCC(=O)[O-])[C@H]1CCCO1	ZINC001588372089	983328066	/nfs/dbraw/zinc/32/80/66/983328066.db2.gz	CVSAGPUPBYYIBC-VHSXEESVSA-N	-1	0	286.353	0.284	20	30		CCEDRM
C#C[C@@H](NC(=O)NCCSCC(=O)[O-])[C@@H]1CCCO1	ZINC001588372090	983328191	/nfs/dbraw/zinc/32/81/91/983328191.db2.gz	CVSAGPUPBYYIBC-ZJUUUORDSA-N	-1	0	286.353	0.284	20	30		CCEDRM
C#C[C@@H](NC(=O)c1c[nH]c(C(=O)[O-])c1)[C@@H]1CCCO1	ZINC001588374361	983343357	/nfs/dbraw/zinc/34/33/57/983343357.db2.gz	VRCOUKUPEYKBOA-KOLCDFICSA-N	-1	0	262.265	0.624	20	30		CCEDRM
C#CC1(O)CN(C(=O)[C@]2(C(=O)[O-])C[C@H]2c2ccccc2)C1	ZINC001588380016	983367180	/nfs/dbraw/zinc/36/71/80/983367180.db2.gz	XZMNWTGXKRUTBQ-LRDDRELGSA-N	-1	0	285.299	0.451	20	30		CCEDRM
C#C[C@H]1CCCCN1S(=O)(=O)C1(C(=O)[O-])CCC1	ZINC001588382085	983368849	/nfs/dbraw/zinc/36/88/49/983368849.db2.gz	GADUBCIOFCEZNU-JTQLQIEISA-N	-1	0	271.338	0.811	20	30		CCEDRM
C#CC[C@@H](CO)NC(=O)c1ccsc1C(=O)[O-]	ZINC001588393017	983395823	/nfs/dbraw/zinc/39/58/23/983395823.db2.gz	AEXWDDRADYBYOM-ZETCQYMHSA-N	-1	0	253.279	0.560	20	30		CCEDRM
C#CC[C@H](CO)NC(=O)N[C@H]1C[C@H]2C[C@@H](C(=O)[O-])C[C@H]21	ZINC001588394794	983403856	/nfs/dbraw/zinc/40/38/56/983403856.db2.gz	PMSWRXCORUINRR-OOCWMUITSA-N	-1	0	280.324	0.169	20	30		CCEDRM
C#CC[C@H](CCOC)NC(=O)c1cc(C(=O)[O-])no1	ZINC001588395793	983406396	/nfs/dbraw/zinc/40/63/96/983406396.db2.gz	UEYAKWSXNWGJGZ-MRVPVSSYSA-N	-1	0	266.253	0.531	20	30		CCEDRM
C#CC[C@H](NC(=O)C(=O)c1cc(F)ccc1C)C(=O)[O-]	ZINC001588396604	983409427	/nfs/dbraw/zinc/40/94/27/983409427.db2.gz	ZVJIBHQWIWCWGS-NSHDSACASA-N	-1	0	277.251	0.910	20	30		CCEDRM
C#CC[C@H](NC(=O)C1(C)COC(C)(C)OC1)C(=O)[O-]	ZINC001588398119	983411360	/nfs/dbraw/zinc/41/13/60/983411360.db2.gz	DBZJECJPRWQHDH-VIFPVBQESA-N	-1	0	269.297	0.368	20	30		CCEDRM
C#CC[C@@H](NC(=O)[C@](C)(O)c1ccc(F)cc1)C(=O)[O-]	ZINC001588399846	983417127	/nfs/dbraw/zinc/41/71/27/983417127.db2.gz	XSYBVLFDHHONSR-BXUZGUMPSA-N	-1	0	279.267	0.626	20	30		CCEDRM
C#CC[C@@H](NC(=O)CCCn1ccccc1=O)C(=O)[O-]	ZINC001588404645	983418400	/nfs/dbraw/zinc/41/84/00/983418400.db2.gz	DRUZATCHPFXYTB-LLVKDONJSA-N	-1	0	276.292	0.221	20	30		CCEDRM
C#CC[C@@H](NC(=O)C[C@H](C)CC(=O)OC)C(=O)[O-]	ZINC001588404846	983418836	/nfs/dbraw/zinc/41/88/36/983418836.db2.gz	ATJBTGKFZMMVQF-DTWKUNHWSA-N	-1	0	255.270	0.168	20	30		CCEDRM
C#CC[C@H](NC(=O)/C=C\c1cnccc1C)C(=O)[O-]	ZINC001588406223	983424615	/nfs/dbraw/zinc/42/46/15/983424615.db2.gz	NZEJSRFNBGPSCD-FJOGCWAESA-N	-1	0	258.277	0.996	20	30		CCEDRM
C#CC[C@@H](NC(=O)[C@H]1CCCN(C(C)(C)C)C1=O)C(=O)[O-]	ZINC001588406964	983426680	/nfs/dbraw/zinc/42/66/80/983426680.db2.gz	UKFYLMXYYOBELR-GHMZBOCLSA-N	-1	0	294.351	0.616	20	30		CCEDRM
C#CC[C@H](NC(=O)[C@H]1CCCC[C@H]1C(=O)[O-])C(=O)OC	ZINC001588407770	983429417	/nfs/dbraw/zinc/42/94/17/983429417.db2.gz	OSMSYSHEDKTQIZ-AXFHLTTASA-N	-1	0	281.308	0.559	20	30		CCEDRM
C#CC[C@@H](NC(=O)Cc1ccc(F)cc1[N+](=O)[O-])C(=O)[O-]	ZINC001588407951	983429772	/nfs/dbraw/zinc/42/97/72/983429772.db2.gz	RZMUEGZMLHXKEQ-SNVBAGLBSA-N	-1	0	294.238	0.869	20	30		CCEDRM
C#CC[C@@H](NC(=O)c1cc(C)c(C(=O)[O-])o1)C(=O)OC	ZINC001588414177	983433334	/nfs/dbraw/zinc/43/33/34/983433334.db2.gz	OWKKCULHNFOCGR-MRVPVSSYSA-N	-1	0	279.248	0.581	20	30		CCEDRM
C#CC[C@@H](NC(=O)c1ccc2oc(=O)[nH]c2c1)C(=O)[O-]	ZINC001588415637	983435209	/nfs/dbraw/zinc/43/52/09/983435209.db2.gz	BWNWWWLFXMGQGL-MRVPVSSYSA-N	-1	0	274.232	0.740	20	30		CCEDRM
C#CC[C@H](NCc1cc(C(=O)[O-])co1)C(=O)OC	ZINC001588422024	983443966	/nfs/dbraw/zinc/44/39/66/983443966.db2.gz	FWKSPBWYRKDYNR-JTQLQIEISA-N	-1	0	251.238	0.632	20	30		CCEDRM
C#CC[C@H](OC(=O)CN1CCC[C@H](C(=O)[O-])C1=O)C(C)C	ZINC001588428299	983460879	/nfs/dbraw/zinc/46/08/79/983460879.db2.gz	JKBHFKDYMRNQQQ-RYUDHWBXSA-N	-1	0	295.335	0.901	20	30		CCEDRM
CCN(C#N)CCn1cc(C(=O)[O-])cc(C#N)c1=O	ZINC001596128512	983473388	/nfs/dbraw/zinc/47/33/88/983473388.db2.gz	OIQRGAPQANCAPU-UHFFFAOYSA-N	-1	0	260.253	0.221	20	30		CCEDRM
C#CCCNS(=O)(=O)c1cc(C(=O)[O-])cn1C	ZINC001588453735	983477393	/nfs/dbraw/zinc/47/73/93/983477393.db2.gz	QNVSOLSFCTVDJC-UHFFFAOYSA-N	-1	0	256.283	0.025	20	30		CCEDRM
C#CCCOC(=O)N[C@H](CCC1OCCO1)C(=O)[O-]	ZINC001588455550	983480237	/nfs/dbraw/zinc/48/02/37/983480237.db2.gz	PNQQDMHAXBKTPY-SECBINFHSA-N	-1	0	271.269	0.342	20	30		CCEDRM
C#CCCS(=O)(=O)N(CC(F)F)[C@@H](C)C(=O)[O-]	ZINC001588458996	983483953	/nfs/dbraw/zinc/48/39/53/983483953.db2.gz	VYNPELZDKFQGAD-ZETCQYMHSA-N	-1	0	269.269	0.380	20	30		CCEDRM
C#CCN(C(C)C)S(=O)(=O)C1(C(=O)[O-])CCC1	ZINC001588461714	983490857	/nfs/dbraw/zinc/49/08/57/983490857.db2.gz	YQIVTCXKYFLUBO-UHFFFAOYSA-N	-1	0	259.327	0.667	20	30		CCEDRM
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C#Cc1ccc(CNC(=O)NC[C@H](F)C(=O)[O-])cc1	ZINC001588517139	983563664	/nfs/dbraw/zinc/56/36/64/983563664.db2.gz	NRWQCWAZXHVAOL-NSHDSACASA-N	-1	0	264.256	0.890	20	30		CCEDRM
C#Cc1ccccc1CC(=O)N1C[C@@H](C)O[C@H](C(=O)[O-])C1	ZINC001588524381	983574451	/nfs/dbraw/zinc/57/44/51/983574451.db2.gz	HSMTUFATIPWDEQ-RISCZKNCSA-N	-1	0	287.315	0.911	20	30		CCEDRM
C#Cc1ccccc1CC(=O)NC[C@H]1CCO[C@H]1C(=O)[O-]	ZINC001588529045	983579662	/nfs/dbraw/zinc/57/96/62/983579662.db2.gz	OCSLIINJKJHCDQ-UKRRQHHQSA-N	-1	0	287.315	0.816	20	30		CCEDRM
C=C(C)C[C@H](CO)NS(=O)(=O)c1ccccc1C(=O)[O-]	ZINC001588536795	983595690	/nfs/dbraw/zinc/59/56/90/983595690.db2.gz	FEWVWEUEQVDYKP-SNVBAGLBSA-N	-1	0	299.348	0.990	20	30		CCEDRM
C=C(C)C[C@H](CO)NC(=O)c1cc(C(=O)[O-])no1	ZINC001588537384	983599339	/nfs/dbraw/zinc/59/93/39/983599339.db2.gz	OHXDNUSGTLXPTI-SSDOTTSWSA-N	-1	0	254.242	0.430	20	30		CCEDRM
C=C(C)C[C@@H](NC(=O)CCSc1nnnn1C)C(=O)[O-]	ZINC001588540662	983604449	/nfs/dbraw/zinc/60/44/49/983604449.db2.gz	JTQOPPYOJITUNY-MRVPVSSYSA-N	-1	0	299.356	0.228	20	30		CCEDRM
C=C(C)C[C@H](NC(=O)[C@H]1CCCN(C(C)=O)C1)C(=O)[O-]	ZINC001588540926	983606019	/nfs/dbraw/zinc/60/60/19/983606019.db2.gz	PAENGHUTTJKQTM-RYUDHWBXSA-N	-1	0	282.340	0.781	20	30		CCEDRM
C=C(C)C[C@@H](NC(=O)Cn1cc(C2CC2)nn1)C(=O)[O-]	ZINC001588544264	983613912	/nfs/dbraw/zinc/61/39/12/983613912.db2.gz	ZKVYFKPSGXUZMO-SNVBAGLBSA-N	-1	0	278.312	0.691	20	30		CCEDRM
C=C(C)C[C@@H](NC(C)=O)C(=O)N[C@H]1C[C@@H]2C[C@]2(C(=O)[O-])C1	ZINC001588548006	983622243	/nfs/dbraw/zinc/62/22/43/983622243.db2.gz	PJVQDTWVEOXLIU-ZAZJYDDPSA-N	-1	0	294.351	0.827	20	30		CCEDRM
C=C(C)C[C@H](NC(C)=O)C(=O)NC[C@H]1C[C@H]1C(=O)[O-]	ZINC001588548628	983624674	/nfs/dbraw/zinc/62/46/74/983624674.db2.gz	WBIPEZIOFPTTCD-MXWKQRLJSA-N	-1	0	268.313	0.294	20	30		CCEDRM
CCN(C[C@H](C)C#N)S(=O)(=O)CC1(C(=O)[O-])CC1	ZINC001596230927	983624994	/nfs/dbraw/zinc/62/49/94/983624994.db2.gz	CJLBJILFPZKLKR-SECBINFHSA-N	-1	0	274.342	0.663	20	30		CCEDRM
C=C(C)C[C@@H](NS(=O)(=O)c1cncn1CC)C(=O)[O-]	ZINC001588555448	983635125	/nfs/dbraw/zinc/63/51/25/983635125.db2.gz	IYILCYVDGXLEGM-SECBINFHSA-N	-1	0	287.341	0.601	20	30		CCEDRM
C=C(C)Cn1c(C)nnc1N1CC[C@](OC)(C(=O)[O-])C1	ZINC001588592202	983676299	/nfs/dbraw/zinc/67/62/99/983676299.db2.gz	TUWGHYZVZKBGFI-CYBMUJFWSA-N	-1	0	280.328	0.843	20	30		CCEDRM
C=C(CCC(=O)[O-])C(=O)N(C)[C@@H](C)[C@H](C)S(C)(=O)=O	ZINC001588606912	983698999	/nfs/dbraw/zinc/69/89/99/983698999.db2.gz	MEVRKLVCFCBGBQ-UWVGGRQHSA-N	-1	0	291.369	0.687	20	30		CCEDRM
C=C(CCC(=O)[O-])C(=O)N(C)CCc1cnccn1	ZINC001588607242	983700272	/nfs/dbraw/zinc/70/02/72/983700272.db2.gz	WWTQVNQQYMYDIU-UHFFFAOYSA-N	-1	0	263.297	0.899	20	30		CCEDRM
C=C(CCC(=O)[O-])C(=O)N(CCC)[C@@H]1CC(=O)N(C)C1=O	ZINC001588612733	983704229	/nfs/dbraw/zinc/70/42/29/983704229.db2.gz	WSMDFTOQQLWFHO-SNVBAGLBSA-N	-1	0	296.323	0.403	20	30		CCEDRM
C=C(CCC(=O)[O-])C(=O)N1CCCN(C=O)CC1	ZINC001588615566	983712638	/nfs/dbraw/zinc/71/26/38/983712638.db2.gz	YMDFDHJVERPCOO-UHFFFAOYSA-N	-1	0	254.286	0.098	20	30		CCEDRM
C=C(CCC(=O)[O-])C(=O)N1C[C@H](O)C[C@@H]1COC	ZINC001588619000	983714250	/nfs/dbraw/zinc/71/42/50/983714250.db2.gz	HOQRTIZQLKVSFC-NXEZZACHSA-N	-1	0	257.286	0.016	20	30		CCEDRM
C=C(CCC(=O)[O-])C(=O)N1CCO[C@H](CCF)C1	ZINC001588619313	983716228	/nfs/dbraw/zinc/71/62/28/983716228.db2.gz	QLIPNLRGOWMBPS-SNVBAGLBSA-N	-1	0	259.277	0.994	20	30		CCEDRM
C=C(CCC(=O)[O-])C(=O)N[C@H](CC(=O)OC)C1CC1	ZINC001588621336	983718796	/nfs/dbraw/zinc/71/87/96/983718796.db2.gz	CEPCVILMJDHKFY-SNVBAGLBSA-N	-1	0	269.297	0.865	20	30		CCEDRM
C=C(CCC(=O)[O-])C(=O)N[C@@H](CCC)c1nnn[n-]1	ZINC001588622034	983721900	/nfs/dbraw/zinc/72/19/00/983721900.db2.gz	NWMKGBFWXQANBS-QMMMGPOBSA-N	-1	0	267.289	0.578	20	30		CCEDRM
CCN(CCC#N)C(=O)CN1C[C@H](OC)C[C@]1(C)C(=O)[O-]	ZINC001596299372	983723286	/nfs/dbraw/zinc/72/32/86/983723286.db2.gz	DWQIBUAAPCSIFY-BXUZGUMPSA-N	-1	0	297.355	0.313	20	30		CCEDRM
C=C(CCC(=O)[O-])C(=O)NCC(=O)NC1CCCCC1	ZINC001588622615	983724145	/nfs/dbraw/zinc/72/41/45/983724145.db2.gz	AGILWDICZJOQQC-UHFFFAOYSA-N	-1	0	282.340	0.973	20	30		CCEDRM
C=C(CCC(=O)[O-])C(=O)NCCC(=O)Nc1ccccn1	ZINC001588624786	983735017	/nfs/dbraw/zinc/73/50/17/983735017.db2.gz	WMYHLGHJMSUTOT-UHFFFAOYSA-N	-1	0	291.307	0.947	20	30		CCEDRM
C=C(CCC(=O)[O-])C(=O)NCCN1C(=S)N=NC1C	ZINC001588630082	983741259	/nfs/dbraw/zinc/74/12/59/983741259.db2.gz	PYJIHUOBGVVYRE-UHFFFAOYSA-N	-1	0	284.341	0.412	20	30		CCEDRM
C=C(CCC(=O)OC)C(=O)N1CCC[C@]1(COC)C(=O)[O-]	ZINC001588633034	983747214	/nfs/dbraw/zinc/74/72/14/983747214.db2.gz	GQAZRXLHRBKNER-AWEZNQCLSA-N	-1	0	299.323	0.588	20	30		CCEDRM
C=C(CO)C(=O)NC[C@@H](Cc1ccccc1OC)C(=O)[O-]	ZINC001588636990	983758072	/nfs/dbraw/zinc/75/80/72/983758072.db2.gz	BUDZOLQXMLWIAO-GFCCVEGCSA-N	-1	0	293.319	0.603	20	30		CCEDRM
C=C(CO)C(=O)NC[C@@H](CC1CCCC1)C(=O)[O-]	ZINC001588637168	983758964	/nfs/dbraw/zinc/75/89/64/983758964.db2.gz	JKGSRAFTLFCCEO-LLVKDONJSA-N	-1	0	255.314	0.932	20	30		CCEDRM
C=C(CO)C(=O)Nc1ccc(C(=O)[O-])c(OC)c1	ZINC001588637426	983760026	/nfs/dbraw/zinc/76/00/26/983760026.db2.gz	OIUPKIZNYCJQRZ-UHFFFAOYSA-N	-1	0	251.238	0.880	20	30		CCEDRM
C=C(Cl)CN(C)CCCNC(=O)[C@@H]1C[C@H]1C(=O)[O-]	ZINC001588642373	983764442	/nfs/dbraw/zinc/76/44/42/983764442.db2.gz	TWPWXEDTJZLDKJ-NXEZZACHSA-N	-1	0	274.748	0.898	20	30		CCEDRM
C=C[C@H](C(=O)[O-])N1Cc2cc(C(=O)OCC)nn2C[C@@H]1C	ZINC001588669713	983814420	/nfs/dbraw/zinc/81/44/20/983814420.db2.gz	NWKCLVWDXHITPR-JOYOIKCWSA-N	-1	0	293.323	0.903	20	30		CCEDRM
C=CC(C)(C)CNC(=O)N1C[C@H](C(=O)[O-])[C@@H](C(=O)OC)C1	ZINC001588676840	983831542	/nfs/dbraw/zinc/83/15/42/983831542.db2.gz	FFBLQGJFEAVGON-UWVGGRQHSA-N	-1	0	298.339	0.714	20	30		CCEDRM
C=CC(C)(C)Cn1nnnc1N1C[C@H](C)O[C@H](C(=O)[O-])C1	ZINC001588680895	983836768	/nfs/dbraw/zinc/83/67/68/983836768.db2.gz	ITGBKAKHXQUZNY-UWVGGRQHSA-N	-1	0	295.343	0.564	20	30		CCEDRM
C=C[C@](C)(CCOC)C(=O)NC[C@H](O)CC(=O)[O-]	ZINC001588682298	983843106	/nfs/dbraw/zinc/84/31/06/983843106.db2.gz	LEMCTFHMGSCUIT-BXKDBHETSA-N	-1	0	259.302	0.167	20	30		CCEDRM
C=C[C@](C)(O)CC(=O)NC[C@H](CC(=O)[O-])C1CC1	ZINC001588683720	983850190	/nfs/dbraw/zinc/85/01/90/983850190.db2.gz	CSHUIXAQPUZEMJ-GWCFXTLKSA-N	-1	0	255.314	0.931	20	30		CCEDRM
C=C[C@@](C)(O)CC(=O)N[C@@H](CC(F)F)C(=O)[O-]	ZINC001588683852	983852461	/nfs/dbraw/zinc/85/24/61/983852461.db2.gz	FWXUXXXUFYLZKF-QUBYGPBYSA-N	-1	0	251.229	0.538	20	30		CCEDRM
C=C[C@@H](C)ONC(=O)CCc1ocnc1C(=O)[O-]	ZINC001588687330	983870289	/nfs/dbraw/zinc/87/02/89/983870289.db2.gz	NDWKAGGRVXPCII-SSDOTTSWSA-N	-1	0	254.242	0.928	20	30		CCEDRM
C=C[C@@H](O)C(=O)N1Cc2cc(O)ccc2C[C@@H]1C(=O)[O-]	ZINC001588701818	983916709	/nfs/dbraw/zinc/91/67/09/983916709.db2.gz	ABDJPODWLTWYGQ-VXGBXAGGSA-N	-1	0	277.276	0.277	20	30		CCEDRM
C=C[C@@H](O)C(=O)OCC(=O)c1cc(C(=O)[O-])co1	ZINC001588704276	983923705	/nfs/dbraw/zinc/92/37/05/983923705.db2.gz	DHHLTQOAHBLYQO-SSDOTTSWSA-N	-1	0	254.194	0.251	20	30		CCEDRM
C=C[C@@H](OC(=O)c1cncc(OCCOC)c1)C(=O)[O-]	ZINC001588712408	983943682	/nfs/dbraw/zinc/94/36/82/983943682.db2.gz	KTFLVASOTFIBHT-LLVKDONJSA-N	-1	0	281.264	0.903	20	30		CCEDRM
C=CC[C@@H](C(=O)[O-])N1CC(=O)N(CC(F)(F)F)C1	ZINC001588729454	983990022	/nfs/dbraw/zinc/99/00/22/983990022.db2.gz	QQGRVSOLHMAKQG-ZETCQYMHSA-N	-1	0	266.219	0.680	20	30		CCEDRM
C=CC[C@H](C(=O)[O-])N1C[C@@H](C)S(=O)(=O)[C@H](CC)C1	ZINC001588730251	983997278	/nfs/dbraw/zinc/99/72/78/983997278.db2.gz	YCYUHSIHPCDUGY-GMTAPVOTSA-N	-1	0	275.370	0.913	20	30		CCEDRM
C=CC[C@@H](C(=O)[O-])n1nc([N+](=O)[O-])cc1[N+](=O)[O-]	ZINC001588731428	984007843	/nfs/dbraw/zinc/00/78/43/984007843.db2.gz	IMBCEOPNOJAPNG-YFKPBYRVSA-N	-1	0	256.174	0.901	20	30		CCEDRM
C=CC[C@H](C(=O)OC)N1CC[C@@H](n2cc(C(=O)[O-])nn2)C1	ZINC001588731701	984011548	/nfs/dbraw/zinc/01/15/48/984011548.db2.gz	NILJIBWRAMUNQD-MWLCHTKSSA-N	-1	0	294.311	0.341	20	30		CCEDRM
C=CC[C@@H](C(=O)[O-])N1CCS(=O)(=O)C[C@H](C)C1	ZINC001588732023	984015046	/nfs/dbraw/zinc/01/50/46/984015046.db2.gz	UIFWKTZLNPQPTR-ZJUUUORDSA-N	-1	0	261.343	0.382	20	30		CCEDRM
C=CCC(C)(C)C(=O)NC1CN(C(=O)[C@H]2C[C@@H]2C(=O)[O-])C1	ZINC001588732247	984016923	/nfs/dbraw/zinc/01/69/23/984016923.db2.gz	XKASBGUYPHVMLO-QWRGUYRKSA-N	-1	0	294.351	0.636	20	30		CCEDRM
C=CC[C@H](CO)CNC(=O)c1c[nH]c(C(=O)[O-])c1	ZINC001588737685	984030622	/nfs/dbraw/zinc/03/06/22/984030622.db2.gz	QVSBRQHLXKPXHJ-QMMMGPOBSA-N	-1	0	252.270	0.627	20	30		CCEDRM
C=CC[C@@H](CO)CNC(=O)c1c[nH]c(C(=O)[O-])c1	ZINC001588737682	984030758	/nfs/dbraw/zinc/03/07/58/984030758.db2.gz	QVSBRQHLXKPXHJ-MRVPVSSYSA-N	-1	0	252.270	0.627	20	30		CCEDRM
C=CC[C@@H](CO)NS(=O)(=O)[C@H]1CC[C@@H](C(=O)[O-])C1	ZINC001588744750	984045293	/nfs/dbraw/zinc/04/52/93/984045293.db2.gz	QNPRHYXSVLXIGA-UTLUCORTSA-N	-1	0	277.342	0.096	20	30		CCEDRM
C=CC[C@H](CO)Nc1cc(C)nc2nc(C(=O)[O-])nn21	ZINC001588744878	984046858	/nfs/dbraw/zinc/04/68/58/984046858.db2.gz	RYCRBMDFQZBYNX-MRVPVSSYSA-N	-1	0	277.284	0.480	20	30		CCEDRM
C=CC[C@H](OC(=O)C1(OC)CCOCC1)C(=O)[O-]	ZINC001588750973	984074577	/nfs/dbraw/zinc/07/45/77/984074577.db2.gz	IQSAVVVNZUTNOJ-VIFPVBQESA-N	-1	0	258.270	0.755	20	30		CCEDRM
C=CC[C@@H](OC(=O)[C@@]1(COC)CCOC1)C(=O)[O-]	ZINC001588750939	984074360	/nfs/dbraw/zinc/07/43/60/984074360.db2.gz	ILCFVVICCFPULQ-BXKDBHETSA-N	-1	0	258.270	0.612	20	30		CCEDRM
C=CC[C@@H](OC(=O)[C@@H]1CCN(C)C(=O)C1)C(=O)[O-]	ZINC001588753606	984087515	/nfs/dbraw/zinc/08/75/15/984087515.db2.gz	KNPNPTIJWXLSAV-RKDXNWHRSA-N	-1	0	255.270	0.427	20	30		CCEDRM
C=CC[C@H](OC(=O)[C@@H]1COCCN1CC(F)F)C(=O)[O-]	ZINC001588753641	984087742	/nfs/dbraw/zinc/08/77/42/984087742.db2.gz	LDVGKPRHQBZCOE-IUCAKERBSA-N	-1	0	293.266	0.525	20	30		CCEDRM
C=CC[C@H](OC(=O)c1ccnc2c1nnn2C)C(=O)[O-]	ZINC001588759627	984112846	/nfs/dbraw/zinc/11/28/46/984112846.db2.gz	XXGBXSYJRIVKNK-QMMMGPOBSA-N	-1	0	276.252	0.549	20	30		CCEDRM
C=CCC1(C(=O)N2C[C@H](C(=O)[O-])C[C@H](O)C2)CCOCC1	ZINC001588762661	984116791	/nfs/dbraw/zinc/11/67/91/984116791.db2.gz	LGTYIZZRAITWAY-NEPJUHHUSA-N	-1	0	297.351	0.653	20	30		CCEDRM
C=CCC[C@@H](CO)NC(=O)NC[C@H]1C[C@H]1C(=O)[O-]	ZINC001588777702	984157492	/nfs/dbraw/zinc/15/74/92/984157492.db2.gz	GNMSFFCTUXDOML-KXUCPTDWSA-N	-1	0	256.302	0.333	20	30		CCEDRM
C=CCC[C@@H](CO)NC(=O)c1cnc(C(=O)[O-])cn1	ZINC001588777756	984157753	/nfs/dbraw/zinc/15/77/53/984157753.db2.gz	IZNDIGKDXDRYQW-QMMMGPOBSA-N	-1	0	265.269	0.232	20	30		CCEDRM
C=CCCC[C@@H](NC(=O)CN1CCCNC1=O)C(=O)[O-]	ZINC001588788664	984191733	/nfs/dbraw/zinc/19/17/33/984191733.db2.gz	JLKFTPKONCPODI-SNVBAGLBSA-N	-1	0	283.328	0.327	20	30		CCEDRM
C=CCCC[C@H](NC(=O)C[C@H]1CC(=O)N1)C(=O)[O-]	ZINC001588789365	984198565	/nfs/dbraw/zinc/19/85/65/984198565.db2.gz	BQFDJFCMKKRNMY-BDAKNGLRSA-N	-1	0	254.286	0.191	20	30		CCEDRM
C=CCCC[C@@H](NC(=O)[C@H]1CCN(C)C1=O)C(=O)[O-]	ZINC001588789796	984201049	/nfs/dbraw/zinc/20/10/49/984201049.db2.gz	JWGUQYMEWBERQG-NXEZZACHSA-N	-1	0	268.313	0.390	20	30		CCEDRM
C=CCCC[C@@H](NC(=O)c1cc(=O)n(C)cn1)C(=O)[O-]	ZINC001588792453	984209491	/nfs/dbraw/zinc/20/94/91/984209491.db2.gz	HNGMJAGRBCHXJD-SECBINFHSA-N	-1	0	279.296	0.320	20	30		CCEDRM
C=CCCC[C@@H](NC(=O)c1ns[nH]c1=O)C(=O)[O-]	ZINC001588797543	984230667	/nfs/dbraw/zinc/23/06/67/984230667.db2.gz	IBKLDMDMRMADFG-ZCFIWIBFSA-N	-1	0	271.298	0.783	20	30		CCEDRM
C=CCCC[C@H](NS(=O)(=O)c1cn(C)cn1)C(=O)[O-]	ZINC001588798420	984235885	/nfs/dbraw/zinc/23/58/85/984235885.db2.gz	FDFFZNIHCIODMY-VIFPVBQESA-N	-1	0	287.341	0.508	20	30		CCEDRM
C=CCCO[C@@H](C)C(=O)N[C@H](Cn1ccnc1)C(=O)[O-]	ZINC001588808902	984263517	/nfs/dbraw/zinc/26/35/17/984263517.db2.gz	PLHZHJGHRHCUHO-WDEREUQCSA-N	-1	0	281.312	0.434	20	30		CCEDRM
C=CCCOCC(=O)N[C@H](Cc1cncs1)C(=O)[O-]	ZINC001588810229	984265818	/nfs/dbraw/zinc/26/58/18/984265818.db2.gz	FKHJRXQZTVAIIG-SNVBAGLBSA-N	-1	0	284.337	0.848	20	30		CCEDRM
C=CCN(CC=C)C(=O)CN1C[C@@H](OC)C[C@]1(C)C(=O)[O-]	ZINC001588825496	984300772	/nfs/dbraw/zinc/30/07/72/984300772.db2.gz	RGNSBAHJAINPLN-SWLSCSKDSA-N	-1	0	296.367	0.751	20	30		CCEDRM
C=CCN(CC=C)C(=O)C(=O)N1C[C@H](C)[C@@](C)(C(=O)[O-])C1	ZINC001588825411	984300922	/nfs/dbraw/zinc/30/09/22/984300922.db2.gz	PJPMVLFJTWVJIQ-NHYWBVRUSA-N	-1	0	294.351	0.756	20	30		CCEDRM
C=CCN1CC[C@@H](N2CCCC[C@]2(COC)C(=O)[O-])C1=O	ZINC001588838932	984342803	/nfs/dbraw/zinc/34/28/03/984342803.db2.gz	MLDPUMIMXLRQRV-DOMZBBRYSA-N	-1	0	296.367	0.729	20	30		CCEDRM
C=CCNC(=O)[C@H](C)Nc1cnn(CC(=O)[O-])c1C	ZINC001588839249	984345304	/nfs/dbraw/zinc/34/53/04/984345304.db2.gz	PXQXHZPXTMEFCR-QMMMGPOBSA-N	-1	0	266.301	0.379	20	30		CCEDRM
C=CCOC[C@H](NC(=O)c1cnc2[nH]cnc2c1)C(=O)[O-]	ZINC001588860411	984412741	/nfs/dbraw/zinc/41/27/41/984412741.db2.gz	UOHSUYOEVRHBDH-JTQLQIEISA-N	-1	0	290.279	0.344	20	30		CCEDRM
C=CCOC[C@H](NC(=O)c1cnn(CCF)c1)C(=O)[O-]	ZINC001588860595	984414095	/nfs/dbraw/zinc/41/40/95/984414095.db2.gz	ZUGGOUMORKKVTJ-JTQLQIEISA-N	-1	0	285.275	0.238	20	30		CCEDRM
C=CCOC[C@H](NC(=O)c1ccc(C(N)=O)cc1)C(=O)[O-]	ZINC001588861167	984414492	/nfs/dbraw/zinc/41/44/92/984414492.db2.gz	BHUNZLPIVFRLHC-NSHDSACASA-N	-1	0	292.291	0.171	20	30		CCEDRM
C=CCOC[C@H](NC(=O)c1ccc(F)nc1)C(=O)[O-]	ZINC001588862242	984418131	/nfs/dbraw/zinc/41/81/31/984418131.db2.gz	SRPMRVXBNZUMAJ-VIFPVBQESA-N	-1	0	268.244	0.606	20	30		CCEDRM
C=CCOC[C@@H](NC(=O)c1cccc2[nH]cnc21)C(=O)[O-]	ZINC001588862371	984418456	/nfs/dbraw/zinc/41/84/56/984418456.db2.gz	WOCLPAIOZUPRSA-LLVKDONJSA-N	-1	0	289.291	0.949	20	30		CCEDRM
C=CCOC[C@H](NS(=O)(=O)CCC(C)(C)C)C(=O)[O-]	ZINC001588866480	984425618	/nfs/dbraw/zinc/42/56/18/984425618.db2.gz	NFKFAWDVUWQIAP-JTQLQIEISA-N	-1	0	293.385	0.998	20	30		CCEDRM
C=CCOCCCOC(=O)c1cc(C(=O)[O-])nn1C	ZINC001588869042	984437624	/nfs/dbraw/zinc/43/76/24/984437624.db2.gz	NGKQDKTZGRIDJG-UHFFFAOYSA-N	-1	0	268.269	0.868	20	30		CCEDRM
C=CCn1c(C)nnc1N1CCO[C@@H](CC(=O)[O-])C1	ZINC001588895791	984496249	/nfs/dbraw/zinc/49/62/49/984496249.db2.gz	APRSXUBPDDZNCA-JTQLQIEISA-N	-1	0	266.301	0.452	20	30		CCEDRM
C=CCn1cnnc1SCC(=O)N[C@H](C(=O)[O-])C(C)C	ZINC001588909501	984544696	/nfs/dbraw/zinc/54/46/96/984544696.db2.gz	WTTQHTGDBWPGQN-JTQLQIEISA-N	-1	0	298.368	0.782	20	30		CCEDRM
C=CCn1cc(CNC(=O)c2cc(C(=O)[O-])on2)nn1	ZINC001588909551	984545200	/nfs/dbraw/zinc/54/52/00/984545200.db2.gz	YCIXMRQKNMIJCT-UHFFFAOYSA-N	-1	0	277.240	0.080	20	30		CCEDRM
C=CCn1cc(C(=O)Nc2cnn(CC(=O)[O-])c2C)nn1	ZINC001588910181	984547756	/nfs/dbraw/zinc/54/77/56/984547756.db2.gz	NVGZSRYZPYDEOK-UHFFFAOYSA-N	-1	0	290.283	0.306	20	30		CCEDRM
C=CCn1nnnc1N(C[C@@H](C)C(=O)[O-])C1CC1	ZINC001588913085	984554344	/nfs/dbraw/zinc/55/43/44/984554344.db2.gz	XFUYVCSRPPISSE-MRVPVSSYSA-N	-1	0	251.290	0.549	20	30		CCEDRM
C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H](Cc1cncs1)C(=O)[O-]	ZINC001588916277	984559466	/nfs/dbraw/zinc/55/94/66/984559466.db2.gz	CIBMBEFOOMTRCG-VWYCJHECSA-N	-1	0	296.348	0.846	20	30		CCEDRM
C=C[C@@H]1OCC[C@H]1C(=O)N[C@](C)(COC)CC(=O)[O-]	ZINC001588916727	984562932	/nfs/dbraw/zinc/56/29/32/984562932.db2.gz	AURFRVARKULEMK-NRUUGDAUSA-N	-1	0	271.313	0.574	20	30		CCEDRM
C=C[C@@H]1OCC[C@H]1C(=O)N(CC#N)CCC(=O)[O-]	ZINC001588917206	984565112	/nfs/dbraw/zinc/56/51/12/984565112.db2.gz	PZPZXYCGPYXJDV-ZJUUUORDSA-N	-1	0	252.270	0.404	20	30		CCEDRM
CC#CCCCC(=O)N[C@@H](CC(=O)[O-])C(=O)OC	ZINC001588924912	984584156	/nfs/dbraw/zinc/58/41/56/984584156.db2.gz	IBAHWBFHYUKXGA-VIFPVBQESA-N	-1	0	255.270	0.313	20	30		CCEDRM
CC#CC[C@H](CO)NC(=O)Nc1ccc(C(=O)[O-])nn1	ZINC001588926135	984591449	/nfs/dbraw/zinc/59/14/49/984591449.db2.gz	KRSKSNDCPRWXQS-MRVPVSSYSA-N	-1	0	278.268	0.071	20	30		CCEDRM
CC#CC[C@@H](CO)NC(=O)[C@H]1CC[C@@H](C(=O)[O-])C1	ZINC001588926332	984593334	/nfs/dbraw/zinc/59/33/34/984593334.db2.gz	SBLHNCCOKKSZLJ-AXFHLTTASA-N	-1	0	253.298	0.378	20	30		CCEDRM
CC#CCCNC(=O)C(=O)Nc1ccc(F)c(C(=O)[O-])c1	ZINC001588927002	984595946	/nfs/dbraw/zinc/59/59/46/984595946.db2.gz	IGFIDUWSSSYNLF-UHFFFAOYSA-N	-1	0	292.266	0.992	20	30		CCEDRM
CC#CCCNC(=O)C(=O)NC[C@@H](CC(=O)[O-])C1CC1	ZINC001588927375	984598646	/nfs/dbraw/zinc/59/86/46/984598646.db2.gz	UZNNHJVVKBTDDX-LLVKDONJSA-N	-1	0	280.324	0.133	20	30		CCEDRM
CC#CCN(C)S(=O)(=O)c1n[nH]c(C)c1C(=O)[O-]	ZINC001588931106	984601370	/nfs/dbraw/zinc/60/13/70/984601370.db2.gz	KVDSVGILDRLAFX-UHFFFAOYSA-N	-1	0	271.298	0.060	20	30		CCEDRM
C[C@H](NC(=O)[C@H](C)NC(=O)NCC(C)(C)CC#N)C(=O)[O-]	ZINC001599895922	984752833	/nfs/dbraw/zinc/75/28/33/984752833.db2.gz	DEBBBSJJIGJCFO-IUCAKERBSA-N	-1	0	298.343	0.203	20	30		CCEDRM
C[C@H](O)CCNS(=O)(=O)c1ccc(C#N)cc1C(=O)[O-]	ZINC001599903504	984888422	/nfs/dbraw/zinc/88/84/22/984888422.db2.gz	MUJICOVUKHVOAP-QMMMGPOBSA-N	-1	0	298.320	0.306	20	30		CCEDRM
CCO[C@@H]1[C@H](C)[C@@H]1C(=O)N1CCC(C#N)(C(=O)[O-])CC1	ZINC001596797872	985302980	/nfs/dbraw/zinc/30/29/80/985302980.db2.gz	ZIHYMSDCZMFNEF-OUAUKWLOSA-N	-1	0	280.324	0.874	20	30		CCEDRM
C[C@@H]1CN(C(=O)NC[C@H](F)C(=O)[O-])C[C@@H](C)N1CC#N	ZINC001594476023	985488689	/nfs/dbraw/zinc/48/86/89/985488689.db2.gz	PVPWCKMFASVZBX-BBBLOLIVSA-N	-1	0	286.307	0.037	20	30		CCEDRM
CCOC1CC2(C[C@@H]2C(=O)N(CC#N)CC(=O)[O-])C1	ZINC001596847655	985562271	/nfs/dbraw/zinc/56/22/71/985562271.db2.gz	YDLBDWRMZFYEKW-RUETXSTFSA-N	-1	0	266.297	0.628	20	30		CCEDRM
Cc1[nH]c(C(=O)[O-])c(C)c1C(=O)n1ncc(C#N)c1N	ZINC001599957135	985707372	/nfs/dbraw/zinc/70/73/72/985707372.db2.gz	HERYZRBZTCDNFI-UHFFFAOYSA-N	-1	0	273.252	0.669	20	30		CCEDRM
C[C@H](C#N)C(=O)N1CC[C@H](Nc2ncc(C(=O)[O-])cn2)C1	ZINC001589323733	986149134	/nfs/dbraw/zinc/14/91/34/986149134.db2.gz	LEBLKJDVQNOZNZ-SCZZXKLOSA-N	-1	0	289.295	0.347	20	30		CCEDRM
C[C@@H](C#N)C(=O)NC(C)(C)c1nocc1C(=O)[O-]	ZINC001589328548	986156849	/nfs/dbraw/zinc/15/68/49/986156849.db2.gz	BWTDEQRFGNKYCT-LURJTMIESA-N	-1	0	251.242	0.884	20	30		CCEDRM
C[C@@H](C#N)CN(C)C(=O)CC[C@@H]1C[C@H](C(=O)[O-])CO1	ZINC001589329876	986168266	/nfs/dbraw/zinc/16/82/66/986168266.db2.gz	VJCKVQWUQZBZMD-GARJFASQSA-N	-1	0	268.313	0.874	20	30		CCEDRM
C[C@H](C#N)CN1C(=O)[C@@H]2CC[C@@H](C(=O)[O-])CN2C1=O	ZINC001589330912	986180447	/nfs/dbraw/zinc/18/04/47/986180447.db2.gz	UVHDFFYYPCVLJJ-HLTSFMKQSA-N	-1	0	265.269	0.273	20	30		CCEDRM
C[C@H](C#N)N(Cn1nc(C(=O)[O-])ccc1=O)C1CC1	ZINC001589331869	986193345	/nfs/dbraw/zinc/19/33/45/986193345.db2.gz	RKROKYBMKMUONE-MRVPVSSYSA-N	-1	0	262.269	0.275	20	30		CCEDRM
CC[C@@H](C#N)C(=O)N[C@H](Cc1cncs1)C(=O)[O-]	ZINC001594722195	987209913	/nfs/dbraw/zinc/20/99/13/987209913.db2.gz	LHHIEJWNJGOWGP-IONNQARKSA-N	-1	0	267.310	0.805	20	30		CCEDRM
CC[S@](=O)CC(=O)O[C@H](C(=O)[O-])c1ccc(C#N)cc1	ZINC001597250556	987235946	/nfs/dbraw/zinc/23/59/46/987235946.db2.gz	SFKLGDZJGLDJNN-YUNKPMOVSA-N	-1	0	295.316	0.996	20	30		CCEDRM
CC(C)(C)C#CC(=O)N1CCC[C@H]1C(=O)NCC(=O)[O-]	ZINC001589682277	987718415	/nfs/dbraw/zinc/71/84/15/987718415.db2.gz	UBXBKTAUDYUAMT-JTQLQIEISA-N	-1	0	280.324	0.228	20	30		CCEDRM
CC(C)(C)OC(=O)N[C@@H](CC(=O)[O-])C(=O)NCCC#N	ZINC001590236239	989617111	/nfs/dbraw/zinc/61/71/11/989617111.db2.gz	KXLGIHYZJYAAHE-QMMMGPOBSA-N	-1	0	285.300	0.384	20	30		CCEDRM
CC(C)(CC#N)CNC(=O)NC[C@H]1C[C@H]1C(=O)[O-]	ZINC001590614998	990285750	/nfs/dbraw/zinc/28/57/50/990285750.db2.gz	DYUNLRMUJXHDAX-RKDXNWHRSA-N	-1	0	253.302	0.946	20	30		CCEDRM
CC(C)(CC#N)CS(=O)(=O)N[C@H]1CCO[C@H]1C(=O)[O-]	ZINC001590616861	990294304	/nfs/dbraw/zinc/29/43/04/990294304.db2.gz	QREUQRGUWWFLHX-DTWKUNHWSA-N	-1	0	290.341	0.088	20	30		CCEDRM
CN([C@](C)(C#N)C1CC1)S(=O)(=O)c1n[nH]cc1C(=O)[O-]	ZINC001598106666	990489708	/nfs/dbraw/zinc/48/97/08/990489708.db2.gz	PKHFIPHEUSUAMU-LLVKDONJSA-N	-1	0	298.324	0.421	20	30		CCEDRM
COc1ccccc1[C@@H](O)C(=O)N(CC#N)CCC(=O)[O-]	ZINC001599700749	991214296	/nfs/dbraw/zinc/21/42/96/991214296.db2.gz	AGRZEQPZZFSCJN-CYBMUJFWSA-N	-1	0	292.291	0.555	20	30		CCEDRM
CN(C)c1cc(N2CCC(C#N)(C(=O)[O-])CC2)ncn1	ZINC001598307452	991272522	/nfs/dbraw/zinc/27/25/22/991272522.db2.gz	USDNZYLZYIWQTE-UHFFFAOYSA-N	-1	0	275.312	0.737	20	30		CCEDRM
CN(CC#N)C1CCN(C(=O)[C@H]2C[C@@H]2C(=O)[O-])CC1	ZINC001598376406	991566705	/nfs/dbraw/zinc/56/67/05/991566705.db2.gz	SSKAQUFZKABWPG-QWRGUYRKSA-N	-1	0	265.313	0.153	20	30		CCEDRM
COc1cccc(/C=N/CCOCC(=O)[O-])c1O	ZINC001599666497	994738168	/nfs/dbraw/zinc/73/81/68/994738168.db2.gz	XYVJCGDPVRFEOT-NTUHNPAUSA-N	-1	0	253.254	0.921	20	30		CCEDRM
C[C@H](NN=Cc1cn(CC(=O)[O-])nn1)C(F)(F)F	ZINC001593318164	994828710	/nfs/dbraw/zinc/82/87/10/994828710.db2.gz	BKWBFGIWBDZTTB-YFKPBYRVSA-N	-1	0	265.195	0.237	20	30		CCEDRM
C[C@H](Nc1ccc(C(=O)[O-])nc1C#N)c1ncn(C)n1	ZINC001593363443	995035910	/nfs/dbraw/zinc/03/59/10/995035910.db2.gz	QQNMXZQULFECKG-ZETCQYMHSA-N	-1	0	272.268	0.953	20	30		CCEDRM
COC(=O)[C@@H](CCC(=O)[O-])N1CC[C@@](F)(C#N)C1	ZINC001598696995	995155612	/nfs/dbraw/zinc/15/56/12/995155612.db2.gz	COQJEQFIZMRAQS-LDYMZIIASA-N	-1	0	258.249	0.330	20	30		CCEDRM
COC(=O)[C@H]1CC[C@@H](C(=O)[O-])CN1C(=O)CC1(C#N)CC1	ZINC001598764194	995811177	/nfs/dbraw/zinc/81/11/77/995811177.db2.gz	YPHUXSSGHJFUDR-NXEZZACHSA-N	-1	0	294.307	0.545	20	30		CCEDRM
COC(=O)[C@@H]1CN(C(=O)C2(C#N)CCCC2)C[C@H]1C(=O)[O-]	ZINC001598810666	996228575	/nfs/dbraw/zinc/22/85/75/996228575.db2.gz	WUHQZYDDZFMCOQ-NXEZZACHSA-N	-1	0	294.307	0.403	20	30		CCEDRM
COC(=O)[C@H]1CN(C(=O)NCC(C)(C)C#N)C[C@H]1C(=O)[O-]	ZINC001598812220	996241184	/nfs/dbraw/zinc/24/11/84/996241184.db2.gz	ZPATUFMYAKSXFD-BDAKNGLRSA-N	-1	0	297.311	0.051	20	30		CCEDRM
C[C@@]1(C#N)CN(Cc2cnc(C(=O)[O-])cn2)CCO1	ZINC001593742557	996360639	/nfs/dbraw/zinc/36/06/39/996360639.db2.gz	BEPSQVWAUMEUPE-GFCCVEGCSA-N	-1	0	262.269	0.289	20	30		CCEDRM
C[C@]1(C#N)CCCN(S(=O)(=O)c2cc(C(=O)[O-])[nH]n2)C1	ZINC001593743024	996365093	/nfs/dbraw/zinc/36/50/93/996365093.db2.gz	NFMURIIVFJXPGT-LLVKDONJSA-N	-1	0	298.324	0.422	20	30		CCEDRM
COC(=O)[C@H]1CN(c2cnccc2C#N)C[C@@H]1C(=O)[O-]	ZINC001598826923	996393059	/nfs/dbraw/zinc/39/30/59/996393059.db2.gz	KNIZXADUHSECGK-UWVGGRQHSA-N	-1	0	275.264	0.263	20	30		CCEDRM
COC(=O)/C=C(/C)CN1CCC(C#N)(C(=O)[O-])CC1	ZINC001598829866	996424373	/nfs/dbraw/zinc/42/43/73/996424373.db2.gz	FSTVLZUTPJTNDB-YFHOEESVSA-N	-1	0	266.297	0.796	20	30		CCEDRM
COC(=O)[C@H]1CN(c2nc(C)ccc2C#N)C[C@H]1C(=O)[O-]	ZINC001598830807	996434473	/nfs/dbraw/zinc/43/44/73/996434473.db2.gz	ZZTHLXWPCQCHNQ-MNOVXSKESA-N	-1	0	289.291	0.572	20	30		CCEDRM
COC(=O)CN(CC#N)C(=O)CCCCC(=O)[O-]	ZINC001598861343	996677352	/nfs/dbraw/zinc/67/73/52/996677352.db2.gz	VJIURNKLPWOPQX-UHFFFAOYSA-N	-1	0	256.258	0.157	20	30		CCEDRM
CO[C@@]1(C(=O)[O-])CCN(C(=O)c2cc(C#N)oc2C)C1	ZINC001599075332	996848994	/nfs/dbraw/zinc/84/89/94/996848994.db2.gz	VRSNJWXCRPUQGG-ZDUSSCGKSA-N	-1	0	278.264	0.775	20	30		CCEDRM
COC(=O)[C@@H](CCC(=O)[O-])NC(=O)c1ccc(C#N)s1	ZINC001598891883	997008232	/nfs/dbraw/zinc/00/82/32/997008232.db2.gz	CJQMKIQNOUVQRZ-MRVPVSSYSA-N	-1	0	296.304	0.756	20	30		CCEDRM
COC(=O)c1cc(C#N)c(=O)n(C/C(C)=C\C(=O)[O-])c1	ZINC001598919019	997529750	/nfs/dbraw/zinc/52/97/50/997529750.db2.gz	PSMLDEQXGCGMJR-BAQGIRSFSA-N	-1	0	276.248	0.537	20	30		CCEDRM
CON=Cc1ccc(C(=O)N2CC[C@H]2C(=O)[O-])cc1	ZINC001599320770	997576575	/nfs/dbraw/zinc/57/65/75/997576575.db2.gz	LYGXPASPTNFCHG-NSHDSACASA-N	-1	0	262.265	0.966	20	30		CCEDRM
COc1cc(C(=O)N[C@@H](CF)C(=O)[O-])ccc1C#N	ZINC001599353283	998133623	/nfs/dbraw/zinc/13/36/23/998133623.db2.gz	SDWCXEOHDYHYJF-VIFPVBQESA-N	-1	0	266.228	0.719	20	30		CCEDRM
C[C@@H]1[C@@H](C(=O)[O-])CCN1C(=O)C(=O)N1CC[C@](C)(C#N)C1	ZINC001594137195	998387855	/nfs/dbraw/zinc/38/78/55/998387855.db2.gz	CDLYHLMBOVONOO-ISTVAULSSA-N	-1	0	293.323	0.070	20	30		CCEDRM
CC1CC(C#N)(C(=O)N2C[C@H](O)C[C@H](C(=O)[O-])C2)C1	ZINC001594200340	998773545	/nfs/dbraw/zinc/77/35/45/998773545.db2.gz	GEHJIIMGWJDFGU-CABQIACGSA-N	-1	0	266.297	0.220	20	30		CCEDRM
COC(CN(CCC(=O)[O-])C(=O)C#CC1CC1)OC	ZINC001599046572	999154959	/nfs/dbraw/zinc/15/49/59/999154959.db2.gz	JBPPKAHABFMUOP-UHFFFAOYSA-N	-1	0	269.297	0.322	20	30		CCEDRM
C[C@@H]1CC[C@@H]2O[C@H](C(=O)[O-])C[C@@H]2N1C(=O)[C@@H]1C[C@@H]1C#N	ZINC001594335239	999287676	/nfs/dbraw/zinc/28/76/76/999287676.db2.gz	BGABKMDCMVLDAS-UCFKJQRDSA-N	-1	0	278.308	0.768	20	30		CCEDRM
CO[C@@]1(C(=O)[O-])CCN(C(=O)NCC(C)(C)CC#N)C1	ZINC001599072210	999341106	/nfs/dbraw/zinc/34/11/06/999341106.db2.gz	IXNSLPKEIRKVQQ-ZDUSSCGKSA-N	-1	0	283.328	0.811	20	30		CCEDRM
C[C@@H](C(=O)N1CC[C@@H](C)C[C@H]1C(=O)[O-])n1cnc(C#N)n1	ZINC001594396423	999494024	/nfs/dbraw/zinc/49/40/24/999494024.db2.gz	XYXUAMQHJZIXOI-UTLUCORTSA-N	-1	0	291.311	0.422	20	30		CCEDRM
C[C@H]1C[C@H]1c1cc(=NC(=O)N=c2[n-]n(C)cc2C#N)[nH][nH]1	ZINC000617277174	365588935	/nfs/dbraw/zinc/58/89/35/365588935.db2.gz	ZUSXCZGVMILGOB-IONNQARKSA-N	-1	0	285.311	0.626	20	30		CCEDRM
CCn1cnc(S(=O)(=O)[N-]c2n[nH]cc2C#N)c1	ZINC000093336333	290648775	/nfs/dbraw/zinc/64/87/75/290648775.db2.gz	VPUKSXRHDHDYQT-UHFFFAOYSA-N	-1	0	266.286	0.299	20	30		CCEDRM
N#CCCCCS(=O)(=O)N1CC(F)(F)C[C@H]1C(=O)[O-]	ZINC000600657316	362026869	/nfs/dbraw/zinc/02/68/69/362026869.db2.gz	OUKAZKUJVHAWKO-QMMMGPOBSA-N	-1	0	296.295	0.804	20	30		CCEDRM
C[C@H](CC#N)N(C)S(=O)(=O)N(C)[C@H]1C[C@@H](C(=O)[O-])C1	ZINC000600658374	362027046	/nfs/dbraw/zinc/02/70/46/362027046.db2.gz	PXKJXYDSRKJKOE-BBBLOLIVSA-N	-1	0	289.357	0.260	20	30		CCEDRM
C[C@@H](C#N)CNS(=O)(=O)c1cc([O-])cc(F)c1	ZINC000601360111	362244127	/nfs/dbraw/zinc/24/41/27/362244127.db2.gz	UTBKOKBMPKGEEQ-ZETCQYMHSA-N	-1	0	258.274	0.969	20	30		CCEDRM
C#CCO[C@H](C)C(=O)N[C@H](CCC)c1nnn[n-]1	ZINC000295076697	199333388	/nfs/dbraw/zinc/33/33/88/199333388.db2.gz	WKNFYLOPFSYNAL-RKDXNWHRSA-N	-1	0	251.290	0.195	20	30		CCEDRM
C[NH+](C)C1(CNS(=O)(=O)c2ccc(C#N)o2)CC1	ZINC000601450080	362276183	/nfs/dbraw/zinc/27/61/83/362276183.db2.gz	IEMRVJVQOQUHGW-UHFFFAOYSA-N	-1	0	269.326	0.524	20	30		CCEDRM
C=CCCSCCNS(=O)(=O)c1ncc[n-]1	ZINC000601464995	362281786	/nfs/dbraw/zinc/28/17/86/362281786.db2.gz	TZRZYVGEKFOEFR-UHFFFAOYSA-N	-1	0	261.372	0.997	20	30		CCEDRM
N#Cc1ccc(S(=O)(=O)N2CC[C@@H](C(=O)[O-])C2)cn1	ZINC000127108740	187283024	/nfs/dbraw/zinc/28/30/24/187283024.db2.gz	GEKPKGKJNDBLSH-MRVPVSSYSA-N	-1	0	281.293	0.048	20	30		CCEDRM
C[C@@H](C(=O)N=c1[nH][n-]cc1C#N)N1[C@H](C)CC[C@@H]1C	ZINC000601641060	362337161	/nfs/dbraw/zinc/33/71/61/362337161.db2.gz	NBVAIVGRHLRAGH-AEJSXWLSSA-N	-1	0	261.329	0.903	20	30		CCEDRM
C[C@H]1CCn2ncc(C(=O)N=c3[nH][n-]cc3C#N)c2C1	ZINC000601635806	362334144	/nfs/dbraw/zinc/33/41/44/362334144.db2.gz	CDRKSIFGDVFCRT-QMMMGPOBSA-N	-1	0	270.296	0.734	20	30		CCEDRM
C[C@@H]1CCn2cc(C(=O)N=c3[nH][n-]cc3C#N)nc2C1	ZINC000601637445	362334278	/nfs/dbraw/zinc/33/42/78/362334278.db2.gz	VMPQYTXAAVEFNQ-MRVPVSSYSA-N	-1	0	270.296	0.734	20	30		CCEDRM
Cn1cc2c(n1)CCC[C@@H]2C(=O)N=c1[nH][n-]cc1C#N	ZINC000601639607	362335461	/nfs/dbraw/zinc/33/54/61/362335461.db2.gz	PLDPENFHYZBUCH-VIFPVBQESA-N	-1	0	270.296	0.495	20	30		CCEDRM
CC1CCN(C(=O)CCn2cc(C#N)c(=O)[n-]c2=O)CC1	ZINC000602032647	362464914	/nfs/dbraw/zinc/46/49/14/362464914.db2.gz	ZXSLGVWYTKNBPN-UHFFFAOYSA-N	-1	0	290.323	0.469	20	30		CCEDRM
CC(C)N(CCC#N)C(=O)CCCc1nnn[n-]1	ZINC000602089767	362480550	/nfs/dbraw/zinc/48/05/50/362480550.db2.gz	XRDXQGPTKHVCDV-UHFFFAOYSA-N	-1	0	250.306	0.673	20	30		CCEDRM
C[C@@H]1C[C@@H](C)N(C(=O)Cn2cc(C#N)c(=O)[n-]c2=O)C1	ZINC000602113680	362496397	/nfs/dbraw/zinc/49/63/97/362496397.db2.gz	XTBRWSVRQQCPIM-RKDXNWHRSA-N	-1	0	276.296	0.077	20	30		CCEDRM
N#Cc1ncn(CC(=O)Nc2cccc(CC(=O)[O-])c2)n1	ZINC000532873591	290775157	/nfs/dbraw/zinc/77/51/57/290775157.db2.gz	HAUUBLCPPIWPDH-UHFFFAOYSA-N	-1	0	285.263	0.416	20	30		CCEDRM
Cc1nc([N-]S(=O)(=O)c2cccc(C#N)c2)n(C)n1	ZINC000185842243	136909407	/nfs/dbraw/zinc/90/94/07/136909407.db2.gz	FPWYBWIHWFHXTL-UHFFFAOYSA-N	-1	0	277.309	0.796	20	30		CCEDRM
Cc1ncc(S(=O)(=O)NCCC(=O)[O-])cc1C#N	ZINC000261588922	137010885	/nfs/dbraw/zinc/01/08/85/137010885.db2.gz	VXHAZLLHFCKZAU-UHFFFAOYSA-N	-1	0	269.282	0.015	20	30		CCEDRM
N#Cc1ccc(S(=O)(=O)[N-]c2ccc3nncn3c2)o1	ZINC000342430921	137094085	/nfs/dbraw/zinc/09/40/85/137094085.db2.gz	DVNQROXOWJJPEV-UHFFFAOYSA-N	-1	0	289.276	0.995	20	30		CCEDRM
CCc1nnc(NCCc2nc(=N)[n-]o2)c(C#N)c1CC	ZINC000343885179	137163595	/nfs/dbraw/zinc/16/35/95/137163595.db2.gz	RCUNXZCUXQGARE-UHFFFAOYSA-N	-1	0	287.327	0.923	20	30		CCEDRM
N#Cc1ccc(S(=O)(=O)[N-]CCOC(F)(F)F)o1	ZINC000344763101	137211826	/nfs/dbraw/zinc/21/18/26/137211826.db2.gz	SXBSTXVFCRYNBX-UHFFFAOYSA-N	-1	0	284.215	0.966	20	30		CCEDRM
C[C@@H](CC(=O)[O-])NS(=O)(=O)c1cccc(C#N)c1	ZINC000036967136	348175416	/nfs/dbraw/zinc/17/54/16/348175416.db2.gz	RAWSYRROKMRBDJ-QMMMGPOBSA-N	-1	0	268.294	0.700	20	30		CCEDRM
C=C[C@H](C(=O)OC)N1CCC(c2n[n-]c(=N)o2)CC1	ZINC000602872421	362853440	/nfs/dbraw/zinc/85/34/40/362853440.db2.gz	XWQBGFYOLIGAHM-SECBINFHSA-N	-1	0	266.301	0.389	20	30		CCEDRM
Cn1cc(C#N)c(=NC(=O)N2CC[C@]3(CC3(F)F)C2)[n-]1	ZINC000602886152	362866287	/nfs/dbraw/zinc/86/62/87/362866287.db2.gz	JQXULUYKVZBRPT-NSHDSACASA-N	-1	0	281.266	0.977	20	30		CCEDRM
CC[C@H]1[C@@H](CO)CCN1C(=O)N=c1[n-]n(C)cc1C#N	ZINC000602880234	362860604	/nfs/dbraw/zinc/86/06/04/362860604.db2.gz	JSHROVSOKFMRPH-KOLCDFICSA-N	-1	0	277.328	0.338	20	30		CCEDRM
N#Cc1ccc(N2CCO[C@@H](C(=O)[O-])C2)c(F)c1	ZINC000049871662	348461126	/nfs/dbraw/zinc/46/11/26/348461126.db2.gz	IYNFDRCBSIFYCY-LLVKDONJSA-N	-1	0	250.229	0.987	20	30		CCEDRM
C[C@H](CNS(=O)(=O)Cc1ccc(C#N)cc1)C(=O)[O-]	ZINC000054333750	348550996	/nfs/dbraw/zinc/55/09/96/348550996.db2.gz	UFVKSHCWJRPZDQ-SECBINFHSA-N	-1	0	282.321	0.698	20	30		CCEDRM
CCOCCO[C@H](C)C(=O)Nc1nc(C#N)c(C#N)[n-]1	ZINC000057307938	348607403	/nfs/dbraw/zinc/60/74/03/348607403.db2.gz	XAWGGNKBSNKHJM-MRVPVSSYSA-N	-1	0	277.284	0.533	20	30		CCEDRM
N#Cc1ccc(CNC(=O)N2CC(C(=O)[O-])C2)cc1	ZINC000090034686	349422518	/nfs/dbraw/zinc/42/25/18/349422518.db2.gz	SYZORBCUGFFJGS-UHFFFAOYSA-N	-1	0	259.265	0.784	20	30		CCEDRM
N#Cc1nc(NC(=O)c2cnn3c2CCCC3)[n-]c1C#N	ZINC000128442296	350192753	/nfs/dbraw/zinc/19/27/53/350192753.db2.gz	DHUHSKOFQDYHKZ-UHFFFAOYSA-N	-1	0	281.279	0.938	20	30		CCEDRM
C=C(C)COCCNC(=O)N[C@@]1(C(=O)[O-])CCOC1	ZINC000164148077	350776951	/nfs/dbraw/zinc/77/69/51/350776951.db2.gz	AHAFXQXSECHWSK-LBPRGKRZSA-N	-1	0	272.301	0.122	20	30		CCEDRM
COc1cc(C#N)ccc1S(=O)(=O)[N-]c1nnc[nH]1	ZINC000185612379	351452333	/nfs/dbraw/zinc/45/23/33/351452333.db2.gz	UAXNGORFVQQJCI-UHFFFAOYSA-N	-1	0	279.281	0.486	20	30		CCEDRM
C=C[C@H]1CCCCN1S(=O)(=O)c1n[nH]cc1C(=O)OC	ZINC000603326481	363066063	/nfs/dbraw/zinc/06/60/63/363066063.db2.gz	BGNBZYUDPHDOGA-VIFPVBQESA-N	-1	0	299.352	0.926	20	30		CCEDRM
C[C@H](CO)[N-]S(=O)(=O)c1c(F)cc(C#N)cc1F	ZINC000122832966	187054510	/nfs/dbraw/zinc/05/45/10/187054510.db2.gz	CGJJLJZEILHVEA-ZCFIWIBFSA-N	-1	0	276.264	0.496	20	30		CCEDRM
CC[C@@H](C(=O)[O-])N(C)S(=O)(=O)c1cccnc1C#N	ZINC000234017258	352154252	/nfs/dbraw/zinc/15/42/52/352154252.db2.gz	SVMSNVBSAVPTBE-VIFPVBQESA-N	-1	0	283.309	0.437	20	30		CCEDRM
N#Cc1ncccc1S(=O)(=O)N[C@H]1CCCC[C@@H]1CO	ZINC000236497908	352195953	/nfs/dbraw/zinc/19/59/53/352195953.db2.gz	IENTYGNZTMNIJE-MNOVXSKESA-N	-1	0	295.364	0.783	20	30		CCEDRM
C=CCCS(=O)(=O)N1CSC[C@@H]1C(=O)[O-]	ZINC000274955541	353175297	/nfs/dbraw/zinc/17/52/97/353175297.db2.gz	INAIVIRMYIOIIK-SSDOTTSWSA-N	-1	0	251.329	0.352	20	30		CCEDRM
N#Cc1cc(F)c(S(=O)(=O)[N-]CCCCO)c(F)c1	ZINC000278464002	353301870	/nfs/dbraw/zinc/30/18/70/353301870.db2.gz	BLJZOSRGFCMIQN-UHFFFAOYSA-N	-1	0	290.291	0.887	20	30		CCEDRM
COC[C@H](NC(=O)N=c1[n-]n(C)cc1C#N)[C@H]1CCCO1	ZINC000618994222	366140156	/nfs/dbraw/zinc/14/01/56/366140156.db2.gz	MPUXCTCAUFBASH-WDEREUQCSA-N	-1	0	293.327	0.029	20	30		CCEDRM
N#Cc1ccc(S(=O)(=O)N[C@@H]2C=C[C@@H](C(=O)[O-])C2)o1	ZINC000558473374	291057736	/nfs/dbraw/zinc/05/77/36/291057736.db2.gz	PQPULWAFKOPCDK-HTQZYQBOSA-N	-1	0	282.277	0.459	20	30		CCEDRM
COC(=O)c1ccc(=NC(=O)NCCCC#N)[n-]n1	ZINC000619632641	366306273	/nfs/dbraw/zinc/30/62/73/366306273.db2.gz	MSCVTFJENIXFCS-UHFFFAOYSA-N	-1	0	263.257	0.110	20	30		CCEDRM
CO[C@H]1CCN(C(=O)N=c2[n-]n(C)cc2C#N)[C@H](C)C1	ZINC000619662355	366315315	/nfs/dbraw/zinc/31/53/15/366315315.db2.gz	CNFNZPYLGWKXJS-KOLCDFICSA-N	-1	0	277.328	0.745	20	30		CCEDRM
C[C@@H](CS(C)(=O)=O)C(=O)N=c1[nH][n-]c(C2CC2)c1C#N	ZINC000359713953	356876571	/nfs/dbraw/zinc/87/65/71/356876571.db2.gz	FPKZYYAHFYPVQA-ZETCQYMHSA-N	-1	0	296.352	0.200	20	30		CCEDRM
CO[C@H](C(=O)N=c1[nH][n-]c(C2CC2)c1C#N)C1CC1	ZINC000359715843	356877560	/nfs/dbraw/zinc/87/75/60/356877560.db2.gz	JJNJMMWBSHSJBI-NSHDSACASA-N	-1	0	260.297	0.944	20	30		CCEDRM
CC(C)(NC(=O)COc1ccc(C#N)cc1)c1nnn[n-]1	ZINC000359786373	356893146	/nfs/dbraw/zinc/89/31/46/356893146.db2.gz	KXNOTFJFOPAHIV-UHFFFAOYSA-N	-1	0	286.295	0.502	20	30		CCEDRM
C=CCN=c1[n-]nc(SC[C@H](O)CC(=O)OC)s1	ZINC000610511103	363570359	/nfs/dbraw/zinc/57/03/59/363570359.db2.gz	ZKTJIDNUCUPQKR-SSDOTTSWSA-N	-1	0	289.382	0.574	20	30		CCEDRM
CCN(C[C@@H]1CCCO1)C(=O)N=c1[n-]n(C)cc1C#N	ZINC000610528203	363572602	/nfs/dbraw/zinc/57/26/02/363572602.db2.gz	VVLIHKYTAFBZAO-NSHDSACASA-N	-1	0	277.328	0.746	20	30		CCEDRM
CCCCOCCNC(=O)N=c1[n-]n(C)cc1C#N	ZINC000610563746	363577584	/nfs/dbraw/zinc/57/75/84/363577584.db2.gz	KNIGIYPNIWGFHK-UHFFFAOYSA-N	-1	0	265.317	0.652	20	30		CCEDRM
Cn1cc(C#N)c(=NC(=O)N2CCC[C@H](c3cc[nH]n3)C2)[n-]1	ZINC000610562941	363577606	/nfs/dbraw/zinc/57/76/06/363577606.db2.gz	LYAUBTUWLFDACI-JTQLQIEISA-N	-1	0	299.338	0.848	20	30		CCEDRM
C[C@@H](NC(=O)N=c1[n-]n(C)cc1C#N)c1ccccn1	ZINC000610528135	363573035	/nfs/dbraw/zinc/57/30/35/363573035.db2.gz	PXDJGOQVIRRXPZ-SECBINFHSA-N	-1	0	270.296	0.991	20	30		CCEDRM
N#Cc1cccc(CC(=O)NCc2n[nH]c(=O)[n-]2)c1	ZINC000610528322	363573898	/nfs/dbraw/zinc/57/38/98/363573898.db2.gz	LCHITTMTYFFLBP-UHFFFAOYSA-N	-1	0	257.253	0.241	20	30		CCEDRM
CCOC[C@H]1CCCN(C(=O)N=c2[n-]n(C)cc2C#N)C1	ZINC000610560728	363575539	/nfs/dbraw/zinc/57/55/39/363575539.db2.gz	IQQDHPHQMAOYKS-NSHDSACASA-N	-1	0	291.355	0.994	20	30		CCEDRM
Cc1ccc(CCNC(=O)N=c2[n-]n(C)cc2C#N)o1	ZINC000610561772	363576415	/nfs/dbraw/zinc/57/64/15/363576415.db2.gz	CWMYHCQRHUACKR-UHFFFAOYSA-N	-1	0	273.296	0.979	20	30		CCEDRM
CCOC[C@@H]1CCN(C(=O)N=c2[n-]n(C)cc2C#N)C1	ZINC000610560912	363577041	/nfs/dbraw/zinc/57/70/41/363577041.db2.gz	BEZURBHXUZEOIM-SNVBAGLBSA-N	-1	0	277.328	0.604	20	30		CCEDRM
Cn1cc(C#N)c(=NC(=O)NCC2(O)CCCCCC2)[n-]1	ZINC000610564166	363578880	/nfs/dbraw/zinc/57/88/80/363578880.db2.gz	FOPCRQRDNNPEGR-UHFFFAOYSA-N	-1	0	291.355	0.920	20	30		CCEDRM
C[C@H](Oc1ccc(C#N)cc1)C(=O)N=c1[nH][n-]cc1C#N	ZINC000610620447	363587486	/nfs/dbraw/zinc/58/74/86/363587486.db2.gz	FAGJHLUVPXRDBZ-VIFPVBQESA-N	-1	0	281.275	0.981	20	30		CCEDRM
CC#CCN(C)C(=O)C(C)(C)[N-]C(=O)C(F)(F)F	ZINC000294629597	199114374	/nfs/dbraw/zinc/11/43/74/199114374.db2.gz	RXLFWXTUTMLOCM-UHFFFAOYSA-N	-1	0	264.247	0.925	20	30		CCEDRM
C=CCOC[C@H](NC(=O)N[C@H]1CCCOC1)C(=O)[O-]	ZINC000684730811	545729192	/nfs/dbraw/zinc/72/91/92/545729192.db2.gz	SXPWIMUOFRFHNT-UWVGGRQHSA-N	-1	0	272.301	0.120	20	30		CCEDRM
Cn1cc(C#N)c(=NC(=O)N[C@H]2CC[C@H](CO)CC2)[n-]1	ZINC000610730774	363604714	/nfs/dbraw/zinc/60/47/14/363604714.db2.gz	BRMZUAKKNGLSQK-HOMQSWHASA-N	-1	0	277.328	0.386	20	30		CCEDRM
C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)NC[C@H](C)C(=O)[O-]	ZINC000655875090	412673119	/nfs/dbraw/zinc/67/31/19/412673119.db2.gz	FDMWWURJKQESTR-AXFHLTTASA-N	-1	0	270.329	0.988	20	30		CCEDRM
CC#CC[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)[O-]	ZINC000541001044	358547688	/nfs/dbraw/zinc/54/76/88/358547688.db2.gz	TVFYTAOAGQOSMV-LBPRGKRZSA-N	-1	0	292.316	0.703	20	30		CCEDRM
CCN(C[C@H](C)C#N)S(=O)(=O)NCC(C)(F)F	ZINC000559134351	358554867	/nfs/dbraw/zinc/55/48/67/358554867.db2.gz	WKSJIWPMEUCWJI-MRVPVSSYSA-N	-1	0	269.317	0.958	20	30		CCEDRM
C=CCNc1ncc(C(=O)N2CC[C@H](C(=O)[O-])C2)s1	ZINC000565595902	358563482	/nfs/dbraw/zinc/56/34/82/358563482.db2.gz	DQCBKCXKUICTCU-QMMMGPOBSA-N	-1	0	281.337	0.710	20	30		CCEDRM
C=CCCCS(=O)(=O)N[C@@H](C(=O)[O-])c1cnn(C)c1	ZINC000584696614	359192769	/nfs/dbraw/zinc/19/27/69/359192769.db2.gz	VKNJTZYOVXACQQ-SNVBAGLBSA-N	-1	0	287.341	0.431	20	30		CCEDRM
C[C@H](O)C[C@@H]1CCCN1C(=O)N=c1[n-]n(C)cc1C#N	ZINC000611050232	363653712	/nfs/dbraw/zinc/65/37/12/363653712.db2.gz	QINUCSKBBVVHSV-ONGXEEELSA-N	-1	0	277.328	0.481	20	30		CCEDRM
N#CC1CN(C(=O)c2c[nH]c3nc(=O)[n-]c(=O)c-3c2)C1	ZINC000590490060	359477765	/nfs/dbraw/zinc/47/77/65/359477765.db2.gz	AKDIMZHXOVJJEB-UHFFFAOYSA-N	-1	0	271.236	0.032	20	30		CCEDRM
Cn1cc(C#N)c(=NC(=O)N[C@H](C2CC2)C(C)(C)CO)[n-]1	ZINC000590957459	359541951	/nfs/dbraw/zinc/54/19/51/359541951.db2.gz	MEGNNUYQWCWPFL-LLVKDONJSA-N	-1	0	291.355	0.632	20	30		CCEDRM
Cn1cc(C#N)c(=NC(=O)N[C@@H]2CCc3n[nH]cc3C2)[n-]1	ZINC000611125798	363662450	/nfs/dbraw/zinc/66/24/50/363662450.db2.gz	SIVCNTOKXJBZPZ-SNVBAGLBSA-N	-1	0	285.311	0.116	20	30		CCEDRM
CN(C(=O)N=c1[n-]n(C)cc1C#N)[C@H](CO)CC(C)(C)C	ZINC000590819549	359526869	/nfs/dbraw/zinc/52/68/69/359526869.db2.gz	MNYMDIPSRCQAOW-NSHDSACASA-N	-1	0	293.371	0.974	20	30		CCEDRM
CC#CC[C@@H](CO)N=c1[n-]c(C(=O)OC)c(C)s1	ZINC000592000794	359725610	/nfs/dbraw/zinc/72/56/10/359725610.db2.gz	WPZJDQKMVHSJHD-VIFPVBQESA-N	-1	0	268.338	0.846	20	30		CCEDRM
N#Cc1c[n-]c(=O)n(CCOCC(F)(F)C(F)F)c1=O	ZINC000592354417	359823410	/nfs/dbraw/zinc/82/34/10/359823410.db2.gz	UZMGYKBPVQKWNL-UHFFFAOYSA-N	-1	0	295.192	0.325	20	30		CCEDRM
CC[C@@H]1CC[C@H](C(=O)[O-])N1S(=O)(=O)CCCC#N	ZINC000592447467	359842773	/nfs/dbraw/zinc/84/27/73/359842773.db2.gz	HRHWWVDEPVAAOS-NXEZZACHSA-N	-1	0	274.342	0.948	20	30		CCEDRM
Cc1n[n-]c(=NC(=O)N2CC[C@@](O)(CC#N)C2)s1	ZINC000592458434	359844439	/nfs/dbraw/zinc/84/44/39/359844439.db2.gz	HOPZNYNCEIIBGD-JTQLQIEISA-N	-1	0	267.314	0.151	20	30		CCEDRM
CC[C@H](NC(=O)C(=O)Nc1cc(C)cc(C#N)c1)C(=O)[O-]	ZINC000592424316	359836244	/nfs/dbraw/zinc/83/62/44/359836244.db2.gz	JWYCAJNYJFXYRO-NSHDSACASA-N	-1	0	289.291	0.785	20	30		CCEDRM
Cc1c(C#N)c(=NC(=O)[C@H]2Cc3ccccc3O2)[n-]n1C	ZINC000592646925	359907928	/nfs/dbraw/zinc/90/79/28/359907928.db2.gz	OBRTUQAJDDVHNI-CYBMUJFWSA-N	-1	0	282.303	0.964	20	30		CCEDRM
CC(=O)N1CCC[C@H](C(=O)N=c2[n-]n(C)c(C)c2C#N)C1	ZINC000592645510	359907946	/nfs/dbraw/zinc/90/79/46/359907946.db2.gz	BFLHTYGSJHEYIT-NSHDSACASA-N	-1	0	289.339	0.219	20	30		CCEDRM
Cc1c(C#N)c(=NC(=O)[C@H]2CCCS2)[n-]n1C	ZINC000592655895	359910764	/nfs/dbraw/zinc/91/07/64/359910764.db2.gz	YYFIVUINYYEDKA-SECBINFHSA-N	-1	0	250.327	0.856	20	30		CCEDRM
N#CC1(CC(=O)N2CCC(c3n[nH]c(=O)[n-]3)CC2)CC1	ZINC000592795865	359938871	/nfs/dbraw/zinc/93/88/71/359938871.db2.gz	JSDSLXOMGCRUPU-UHFFFAOYSA-N	-1	0	275.312	0.910	20	30		CCEDRM
C=CCOC[C@H](NC(=O)NCC[C@H]1CC1(F)F)C(=O)[O-]	ZINC000621248844	366679720	/nfs/dbraw/zinc/67/97/20/366679720.db2.gz	ACUPJQNAOSAWDV-IUCAKERBSA-N	-1	0	292.282	0.987	20	30		CCEDRM
C=CCOC[C@@H](NC(=O)NCC1CC(C)C1)C(=O)[O-]	ZINC000621250358	366679733	/nfs/dbraw/zinc/67/97/33/366679733.db2.gz	ZEYUCSHGAUCVGQ-VQXHTEKXSA-N	-1	0	270.329	0.988	20	30		CCEDRM
N#CCCCS(=O)(=O)N[C@H](CCF)C(=O)[O-]	ZINC000594574187	360333114	/nfs/dbraw/zinc/33/31/14/360333114.db2.gz	ZWMOEJVZXUDDHR-SSDOTTSWSA-N	-1	0	252.267	0.022	20	30		CCEDRM
CO[C@@H](CS(=O)(=O)N[C@@H](C#N)C(C)C)[C@@H]1CCOC1	ZINC000594723935	360368069	/nfs/dbraw/zinc/36/80/69/360368069.db2.gz	REISTGDAPZDRQH-WOPDTQHZSA-N	-1	0	290.385	0.505	20	30		CCEDRM
CN(CC(=O)NC1(C#N)CCCCC1)Cc1n[n-]c(=O)o1	ZINC000595551225	360577363	/nfs/dbraw/zinc/57/73/63/360577363.db2.gz	GUTNNNMAHFMNCK-UHFFFAOYSA-N	-1	0	293.327	0.550	20	30		CCEDRM
N#CC1(CC(=O)N2CCOC[C@H]2C(=O)[O-])CCOCC1	ZINC000595987772	360762949	/nfs/dbraw/zinc/76/29/49/360762949.db2.gz	XCLNTOROKOJZPI-JTQLQIEISA-N	-1	0	282.296	0.009	20	30		CCEDRM
N#Cc1ccc(O[C@@H]2CCN(CC(=O)[O-])C2=O)c(F)c1	ZINC000596011900	360774261	/nfs/dbraw/zinc/77/42/61/360774261.db2.gz	HHEOXAZYQJYRKZ-LLVKDONJSA-N	-1	0	278.239	0.762	20	30		CCEDRM
N#CCCCCS(=O)(=O)N1CC2(CCC2)[C@@H]1C(=O)[O-]	ZINC000596034611	360779392	/nfs/dbraw/zinc/77/93/92/360779392.db2.gz	LUDRTIASIBLTSQ-JTQLQIEISA-N	-1	0	286.353	0.949	20	30		CCEDRM
Cn1cnc(=NC(=O)NCC2(C#N)CCCCC2)[n-]1	ZINC000596922106	360979125	/nfs/dbraw/zinc/97/91/25/360979125.db2.gz	ZSNYDNMOPYHKFB-UHFFFAOYSA-N	-1	0	262.317	0.833	20	30		CCEDRM
C[C@@H](CC#N)C(=O)N1CCC[C@@H](c2n[nH]c(=O)[n-]2)C1	ZINC000597624450	361167277	/nfs/dbraw/zinc/16/72/77/361167277.db2.gz	AADZOFDNJFZQSB-DTWKUNHWSA-N	-1	0	263.301	0.766	20	30		CCEDRM
C[C@H](C#N)N(C(=O)c1c[nH]c2nc(=O)[n-]c(=O)c-2c1)C1CC1	ZINC000598130229	361339662	/nfs/dbraw/zinc/33/96/62/361339662.db2.gz	ASRIWYJEPKGGGX-SSDOTTSWSA-N	-1	0	299.290	0.953	20	30		CCEDRM
CC(C)(C)n1nnc(C(=O)Nc2nc(C#N)c(C#N)[n-]2)n1	ZINC000598660746	361475383	/nfs/dbraw/zinc/47/53/83/361475383.db2.gz	CVMIMWJLXZYZEW-UHFFFAOYSA-N	-1	0	285.271	0.147	20	30		CCEDRM
N#Cc1ccc(S(=O)(=O)N2C[C@@H]3C[C@]3(C(=O)[O-])C2)s1	ZINC000564554179	291284181	/nfs/dbraw/zinc/28/41/81/291284181.db2.gz	KHVJWFUDFHNBGL-CPCISQLKSA-N	-1	0	298.345	0.715	20	30		CCEDRM
Cc1[nH]nc([N-]S(=O)(=O)CCOCC2CC2)c1C#N	ZINC000564830872	291303868	/nfs/dbraw/zinc/30/38/68/291303868.db2.gz	JELVJQPLHDAXGG-UHFFFAOYSA-N	-1	0	284.341	0.758	20	30		CCEDRM
N#Cc1cncnc1N1CCC[C@@H](c2n[nH]c(=O)[n-]2)C1	ZINC000564890033	291311034	/nfs/dbraw/zinc/31/10/34/291311034.db2.gz	MSOACVPWZDZSGY-MRVPVSSYSA-N	-1	0	271.284	0.556	20	30		CCEDRM
Cc1cc(C[C@@H](C)NC(=O)N=c2[n-]n(C)cc2C#N)[nH]n1	ZINC000614182065	364523698	/nfs/dbraw/zinc/52/36/98/364523698.db2.gz	BHKHWNCLMRZUBR-MRVPVSSYSA-N	-1	0	287.327	0.498	20	30		CCEDRM
Cc1cc(C[C@H](C)NC(=O)N=c2[n-]n(C)cc2C#N)[nH]n1	ZINC000614182066	364524246	/nfs/dbraw/zinc/52/42/46/364524246.db2.gz	BHKHWNCLMRZUBR-QMMMGPOBSA-N	-1	0	287.327	0.498	20	30		CCEDRM
N#CCCCCS(=O)(=O)N1CCC[C@@H]1CC(=O)[O-]	ZINC000614381968	364589000	/nfs/dbraw/zinc/58/90/00/364589000.db2.gz	BFRKGJAPZOGQBQ-SNVBAGLBSA-N	-1	0	274.342	0.949	20	30		CCEDRM
C=C[C@@H]1OCCC[C@H]1NC(=O)c1cc(=O)n(C)[n-]1	ZINC000615872150	365119520	/nfs/dbraw/zinc/11/95/20/365119520.db2.gz	XRYYCNIGJMLBNQ-SCZZXKLOSA-N	-1	0	251.286	0.589	20	30		CCEDRM
C=C(C)C[C@H](NC(C)=O)C(=O)N=c1nc(COC)[n-]s1	ZINC000622844746	367375124	/nfs/dbraw/zinc/37/51/24/367375124.db2.gz	LOMUNQKJBYHDBU-VIFPVBQESA-N	-1	0	298.368	0.516	20	30		CCEDRM
C=CCCCCCNC(=O)Cn1cc(C(=O)[O-])nn1	ZINC000656246568	412773032	/nfs/dbraw/zinc/77/30/32/412773032.db2.gz	QBCHWQNWKKMPQX-UHFFFAOYSA-N	-1	0	266.301	0.839	20	30		CCEDRM
C=CC[C@@H]1CCN(C(=O)C(=O)NC[C@H](C(=O)[O-])C(C)C)C1	ZINC000627279401	368942253	/nfs/dbraw/zinc/94/22/53/368942253.db2.gz	MKJZKGYNIAPXIV-NEPJUHHUSA-N	-1	0	296.367	0.884	20	30		CCEDRM
C=CC[C@@H](NS(=O)(=O)C[C@@H](OCC)C1CC1)C(=O)[O-]	ZINC000629295198	369622102	/nfs/dbraw/zinc/62/21/02/369622102.db2.gz	GPPKDWPHJCMGOF-GHMZBOCLSA-N	-1	0	291.369	0.750	20	30		CCEDRM
C=CCOC[C@@H](NC(=O)[C@@H](C)Cc1c[nH]cn1)C(=O)[O-]	ZINC000630188048	369997134	/nfs/dbraw/zinc/99/71/34/369997134.db2.gz	UJGGTSDMXZBVAB-GXSJLCMTSA-N	-1	0	281.312	0.360	20	30		CCEDRM
C=CC(C)(C)CCNC(=O)Cn1cc(C(=O)[O-])nn1	ZINC000630229318	370019134	/nfs/dbraw/zinc/01/91/34/370019134.db2.gz	OGRPZGLFXXMXNR-UHFFFAOYSA-N	-1	0	266.301	0.695	20	30		CCEDRM
C=CCCO[C@H](C)C(=O)N1CC[C@@](OC)(C(=O)[O-])C1	ZINC000630251459	370022170	/nfs/dbraw/zinc/02/21/70/370022170.db2.gz	DYPCYOWTCKXMGI-MFKMUULPSA-N	-1	0	271.313	0.670	20	30		CCEDRM
C=CCC[C@H](NC(=O)CN1CCCCC1=O)C(=O)[O-]	ZINC000630180181	369993266	/nfs/dbraw/zinc/99/32/66/369993266.db2.gz	AQMYESRQVNZLFM-JTQLQIEISA-N	-1	0	268.313	0.535	20	30		CCEDRM
C=CCOC[C@H](NC(=O)CCc1cnn(C)c1)C(=O)[O-]	ZINC000630185550	369995031	/nfs/dbraw/zinc/99/50/31/369995031.db2.gz	CXMKUVKWQFLVGP-NSHDSACASA-N	-1	0	281.312	0.125	20	30		CCEDRM
C=CCCO[C@H](C)C(=O)NC[C@@]1(C(=O)[O-])CCCOC1	ZINC000630335211	370048952	/nfs/dbraw/zinc/04/89/52/370048952.db2.gz	HNXNLFFEXLGDSL-RISCZKNCSA-N	-1	0	285.340	0.965	20	30		CCEDRM
C=C(C)C[C@H](NC(=O)NC[C@@H]1CCCO1)C(=O)[O-]	ZINC000630470151	370129119	/nfs/dbraw/zinc/12/91/19/370129119.db2.gz	SUYIWTRORRMLET-UWVGGRQHSA-N	-1	0	256.302	0.884	20	30		CCEDRM
C=CCCNC(=O)N[C@H](C(=O)[O-])[C@H]1CCCOC1	ZINC000656588669	412831583	/nfs/dbraw/zinc/83/15/83/412831583.db2.gz	POFWASHKZVVAQQ-UWVGGRQHSA-N	-1	0	256.302	0.742	20	30		CCEDRM
C=CCOC[C@H](NC(=O)NC[C@]1(C)CC1(F)F)C(=O)[O-]	ZINC000656598323	412833923	/nfs/dbraw/zinc/83/39/23/412833923.db2.gz	AWYNQEARGHMJQD-KWQFWETISA-N	-1	0	292.282	0.987	20	30		CCEDRM
CC(C)(C)c1nc(=NC(=O)NCC#CCO)s[n-]1	ZINC000639637325	375879157	/nfs/dbraw/zinc/87/91/57/375879157.db2.gz	CSMVWUXNLAXYOJ-UHFFFAOYSA-N	-1	0	268.342	0.375	20	30		CCEDRM
C=CC(C)(C)CNC(=O)N=c1ccc(C(=O)NC)n[n-]1	ZINC000640328109	376324166	/nfs/dbraw/zinc/32/41/66/376324166.db2.gz	WNSUBXKKHQSVLF-UHFFFAOYSA-N	-1	0	277.328	0.592	20	30		CCEDRM
C=CC[C@@H](CO)NC(=O)N=c1[n-]nc([C@H]2CCCO2)s1	ZINC000640735198	376515564	/nfs/dbraw/zinc/51/55/64/376515564.db2.gz	ZYWPUIQRXQAMQE-DTWKUNHWSA-N	-1	0	298.368	0.870	20	30		CCEDRM
CC(C)n1cnc(S(=O)(=O)[N-]c2nn(C)cc2C#N)c1	ZINC000129363035	284768849	/nfs/dbraw/zinc/76/88/49/284768849.db2.gz	PAEIBKITSGQTJA-UHFFFAOYSA-N	-1	0	294.340	0.870	20	30		CCEDRM
COCCS(=O)(=O)[N-]c1cnc(Cl)cc1C#N	ZINC000281064473	195089100	/nfs/dbraw/zinc/08/91/00/195089100.db2.gz	ZHOKKEGLCBXLKB-UHFFFAOYSA-N	-1	0	275.717	0.995	20	30		CCEDRM
C#CCO[N-]C(=O)C(=O)N1CCN(c2ccccc2)CC1	ZINC000291314524	388919662	/nfs/dbraw/zinc/91/96/62/388919662.db2.gz	RWHVSANOLXZKSL-UHFFFAOYSA-N	-1	0	287.319	0.016	20	30		CCEDRM
C#CCO[N-]C(=O)[C@H](CC)NC(=O)OC(C)(C)C	ZINC000291274182	388920316	/nfs/dbraw/zinc/92/03/16/388920316.db2.gz	OCYMFDMZOMBQMR-VIFPVBQESA-N	-1	0	256.302	0.971	20	30		CCEDRM
Cc1ccn2c(c1)n[n-]/c2=N\C(=O)c1cc(C#N)c[nH]1	ZINC000088354808	389012885	/nfs/dbraw/zinc/01/28/85/389012885.db2.gz	DBKOVGBCFUKORN-UHFFFAOYSA-N	-1	0	266.264	0.912	20	30		CCEDRM
C[C@@H]1CN(C(=O)C2(C#N)CCCC2)C[C@H](C(=O)[O-])O1	ZINC000237399079	389188332	/nfs/dbraw/zinc/18/83/32/389188332.db2.gz	BNKCMOKCZFBSNE-NXEZZACHSA-N	-1	0	266.297	0.771	20	30		CCEDRM
Cc1nn(C)c(C)c1S(=O)(=O)[N-]c1n[nH]c(C)c1C#N	ZINC000130301330	389202889	/nfs/dbraw/zinc/20/28/89/389202889.db2.gz	YDLJATFYIXKJOC-UHFFFAOYSA-N	-1	0	294.340	0.741	20	30		CCEDRM
CN(C)C(=O)NCCN(C)C([O-])=Nc1cccn(C)c1=O	ZINC000330617788	389246635	/nfs/dbraw/zinc/24/66/35/389246635.db2.gz	GMHKAMVOLMBYRW-UHFFFAOYSA-N	-1	0	295.343	0.338	20	30		CCEDRM
C=C[C@](C)(CCOC)C(=O)N1CCO[C@H](c2nnn[n-]2)C1	ZINC000363686200	389252177	/nfs/dbraw/zinc/25/21/77/389252177.db2.gz	JWNVBQPPFCDFRB-GXFFZTMASA-N	-1	0	295.343	0.328	20	30		CCEDRM
C=CCN=c1[n-]nc(SCCN2CCNC2=O)s1	ZINC000361089981	389207877	/nfs/dbraw/zinc/20/78/77/389207877.db2.gz	ZQRCEEVCICEJGT-UHFFFAOYSA-N	-1	0	285.398	0.675	20	30		CCEDRM
C=CCS(=O)(=O)[N-]C(=O)[C@H]1CC1(Cl)Cl	ZINC000132766496	389227119	/nfs/dbraw/zinc/22/71/19/389227119.db2.gz	HAJNWCBEDYJYAX-RXMQYKEDSA-N	-1	0	258.126	0.812	20	30		CCEDRM
CC#CCCCC(=O)Nc1n[n-]c(S(C)(=O)=O)n1	ZINC000345342439	389304396	/nfs/dbraw/zinc/30/43/96/389304396.db2.gz	DHUMPFSJBSVVTE-UHFFFAOYSA-N	-1	0	270.314	0.340	20	30		CCEDRM
N#Cc1ccc(S(=O)(=O)NCCCCC(=O)[O-])cn1	ZINC000159568897	389369905	/nfs/dbraw/zinc/36/99/05/389369905.db2.gz	HRGCVBDSBIIUIO-UHFFFAOYSA-N	-1	0	283.309	0.486	20	30		CCEDRM
N#Cc1ccc(S(=O)(=O)N[C@@H]2C=C[C@@H](C(=O)[O-])C2)cn1	ZINC000159668133	389370775	/nfs/dbraw/zinc/37/07/75/389370775.db2.gz	LMYVZWQKAVQEJD-RKDXNWHRSA-N	-1	0	293.304	0.261	20	30		CCEDRM
Cc1cc([N-]S(=O)(=O)c2ccc(C#N)nc2)nn1C	ZINC000161510896	389406510	/nfs/dbraw/zinc/40/65/10/389406510.db2.gz	QPSBGBOLNVYKNV-UHFFFAOYSA-N	-1	0	277.309	0.796	20	30		CCEDRM
C[C@@H](CC#N)N(C)C(=O)c1c[nH]c2nc(=O)[n-]c(=O)c-2c1	ZINC000349363888	389413243	/nfs/dbraw/zinc/41/32/43/389413243.db2.gz	IBMQHDNBNMBHMH-ZETCQYMHSA-N	-1	0	287.279	0.810	20	30		CCEDRM
CCc1nc(C(=O)Nc2nc(C#N)c(C#N)[n-]2)co1	ZINC000162037346	389413348	/nfs/dbraw/zinc/41/33/48/389413348.db2.gz	QFXOYDUXNDMJQP-UHFFFAOYSA-N	-1	0	256.225	0.956	20	30		CCEDRM
N#CC1(C(=O)N2CCO[C@H](c3nnn[n-]3)C2)CCCCC1	ZINC000370868635	389421658	/nfs/dbraw/zinc/42/16/58/389421658.db2.gz	OIAOLWMZIBFKKP-JTQLQIEISA-N	-1	0	290.327	0.574	20	30		CCEDRM
CC[C@@H](C#N)NC(=O)c1coc(S(=O)(=O)NC)c1	ZINC000270018822	389427561	/nfs/dbraw/zinc/42/75/61/389427561.db2.gz	DSXYSMPSCFUQSU-QMMMGPOBSA-N	-1	0	271.298	0.220	20	30		CCEDRM
Cc1cc([N-]S(=O)(=O)c2cn[nH]c2)nn1CCC#N	ZINC000271105589	389439090	/nfs/dbraw/zinc/43/90/90/389439090.db2.gz	ZTTLZJHAXYGLMI-UHFFFAOYSA-N	-1	0	280.313	0.629	20	30		CCEDRM
C=CC[C@H](CO)NC(=O)N=c1ccc(C2CC2)n[n-]1	ZINC000349832686	389442464	/nfs/dbraw/zinc/44/24/64/389442464.db2.gz	MCXHKYAGTUFPIM-SNVBAGLBSA-N	-1	0	262.313	0.834	20	30		CCEDRM
N#Cc1csc(C(=O)NCCCc2nc(=O)[n-][nH]2)c1	ZINC000176312192	389556832	/nfs/dbraw/zinc/55/68/32/389556832.db2.gz	CLHFOZVXTBTWFE-UHFFFAOYSA-N	-1	0	277.309	0.394	20	30		CCEDRM
N#Cc1ccc(CS(=O)(=O)c2n[nH]c(=O)[n-]2)cc1	ZINC000350176363	389495703	/nfs/dbraw/zinc/49/57/03/389495703.db2.gz	MCWULAWYKPJAMX-UHFFFAOYSA-N	-1	0	264.266	0.356	20	30		CCEDRM
C=CCC1(C(=O)N[C@H](COC)C(=O)[O-])CCOCC1	ZINC000425240219	389642540	/nfs/dbraw/zinc/64/25/40/389642540.db2.gz	LTIYEUCCHQDLDY-SNVBAGLBSA-N	-1	0	271.313	0.575	20	30		CCEDRM
C=CCn1cc(CNC(=O)[C@@H]2CCC[C@@H](C(=O)[O-])C2)nn1	ZINC000425253994	389642799	/nfs/dbraw/zinc/64/27/99/389642799.db2.gz	KZCLKWRNNXJKCS-GHMZBOCLSA-N	-1	0	292.339	0.971	20	30		CCEDRM
CCNC(=O)[C@@H](C#N)Cn1[n-]c(C(F)(F)F)cc1=O	ZINC000181293712	389684044	/nfs/dbraw/zinc/68/40/44/389684044.db2.gz	CFNIQPFTMDSAPT-LURJTMIESA-N	-1	0	276.218	0.883	20	30		CCEDRM
CC#CCS(=O)(=O)[N-]C(=O)/C=C/c1cscn1	ZINC000493317551	390123237	/nfs/dbraw/zinc/12/32/37/390123237.db2.gz	JFCNHGXMFSVNAO-SNAWJCMRSA-N	-1	0	270.335	0.626	20	30		CCEDRM
C=CCS(=O)(=O)[N-]C(=O)CN(C)C(=O)OC(C)(C)C	ZINC000494079486	390146713	/nfs/dbraw/zinc/14/67/13/390146713.db2.gz	UHLKQHROSJOHAP-UHFFFAOYSA-N	-1	0	292.357	0.485	20	30		CCEDRM
N#Cc1ccc(C(=O)Nc2n[nH]c(SCCO)n2)nc1	ZINC000535727855	390148270	/nfs/dbraw/zinc/14/82/70/390148270.db2.gz	WGKSEFZHWZZQAL-UHFFFAOYSA-N	-1	0	290.308	0.408	20	30		CCEDRM
C=C(C)CS(=O)(=O)N(CCC(=O)[O-])C[C@@H]1CCCO1	ZINC000579233146	390154221	/nfs/dbraw/zinc/15/42/21/390154221.db2.gz	ZJKTUCIKEFDKDI-NSHDSACASA-N	-1	0	291.369	0.848	20	30		CCEDRM
C[C@H](C#N)CN(C)S(=O)(=O)NCC[C@H](C)CC(=O)[O-]	ZINC000579360313	390166077	/nfs/dbraw/zinc/16/60/77/390166077.db2.gz	CDABLOAOOLNMFJ-VHSXEESVSA-N	-1	0	291.373	0.413	20	30		CCEDRM
C=CCCCN(C)C(=O)C(=O)N1CC[C@H](C)[C@H](C(=O)[O-])C1	ZINC000582063023	390257174	/nfs/dbraw/zinc/25/71/74/390257174.db2.gz	LSNHWCHHBXXURD-NWDGAFQWSA-N	-1	0	296.367	0.980	20	30		CCEDRM
CC#CC[C@@H](NS(=O)(=O)c1ccc(C)nc1)C(=O)[O-]	ZINC000518777846	390494067	/nfs/dbraw/zinc/49/40/67/390494067.db2.gz	AGGAXQPGNHKBJL-LLVKDONJSA-N	-1	0	282.321	0.535	20	30		CCEDRM
C=CCn1cc(C(=O)N2CCC(CC(=O)[O-])CC2)nn1	ZINC000649240159	390533029	/nfs/dbraw/zinc/53/30/29/390533029.db2.gz	KVZDMDYCCPIMOY-UHFFFAOYSA-N	-1	0	278.312	0.791	20	30		CCEDRM
C=CCn1cc(C(=O)N[C@H](CC(F)F)C(=O)[O-])nn1	ZINC000649251157	390538468	/nfs/dbraw/zinc/53/84/68/390538468.db2.gz	MMEBVNHWYDWOBH-ZCFIWIBFSA-N	-1	0	274.227	0.302	20	30		CCEDRM
C=C(C)CN(C)S(=O)(=O)c1ccc(C(=O)[O-])nc1	ZINC000645987018	390559634	/nfs/dbraw/zinc/55/96/34/390559634.db2.gz	YBQXSUINFDOVIO-UHFFFAOYSA-N	-1	0	270.310	0.976	20	30		CCEDRM
C[C@H](C#N)CN(C)S(=O)(=O)N[C@@H](C)CCCC(=O)[O-]	ZINC000572770066	390802515	/nfs/dbraw/zinc/80/25/15/390802515.db2.gz	GAHLUBLHRAQQDL-ZJUUUORDSA-N	-1	0	291.373	0.556	20	30		CCEDRM
CC1(CC(=O)N2CC(n3cc(C#N)c(=O)[n-]c3=O)C2)CC1	ZINC000530271515	390875864	/nfs/dbraw/zinc/87/58/64/390875864.db2.gz	LDERHRJVOIOKJL-UHFFFAOYSA-N	-1	0	288.307	0.394	20	30		CCEDRM
C[C@@H](C#N)CNC(=O)c1ccc(-c2nc(=O)o[n-]2)cc1	ZINC000531119682	390877943	/nfs/dbraw/zinc/87/79/43/390877943.db2.gz	ORFFKQCHWNOLMX-QMMMGPOBSA-N	-1	0	272.264	0.919	20	30		CCEDRM
C=CCn1cc(C(=O)N[C@@H](CCCC)C(=O)[O-])nn1	ZINC000647598376	390847887	/nfs/dbraw/zinc/84/78/87/390847887.db2.gz	MNAHIQOKEXHQLV-VIFPVBQESA-N	-1	0	266.301	0.837	20	30		CCEDRM
Cc1cccc(S(=O)(=O)N(C)CCC(=O)[O-])c1C#N	ZINC000261702775	131163035	/nfs/dbraw/zinc/16/30/35/131163035.db2.gz	OJJDUWZFEFUGLT-UHFFFAOYSA-N	-1	0	282.321	0.962	20	30		CCEDRM
C#CCOc1ccc(C(=O)N2CCOC[C@H]2C(=O)[O-])cc1	ZINC000262402286	131218406	/nfs/dbraw/zinc/21/84/06/131218406.db2.gz	AFBQAVNLAWBLPZ-ZDUSSCGKSA-N	-1	0	289.287	0.624	20	30		CCEDRM
Cc1nc(C(=O)NCCSCC(=O)[O-])ccc1C#N	ZINC000262459089	131222845	/nfs/dbraw/zinc/22/28/45/131222845.db2.gz	XQUAFZZRGDCTNL-UHFFFAOYSA-N	-1	0	279.321	0.809	20	30		CCEDRM
N#Cc1ccccc1N1CCN(Cc2n[nH]c(=O)[n-]2)CC1	ZINC000092618390	135076728	/nfs/dbraw/zinc/07/67/28/135076728.db2.gz	PWMIDGSZDZWCRW-UHFFFAOYSA-N	-1	0	284.323	0.292	20	30		CCEDRM
N#Cc1cccc(S(=O)(=O)N2CSC[C@H]2C(=O)[O-])c1	ZINC000020551516	397374402	/nfs/dbraw/zinc/37/44/02/397374402.db2.gz	AOVZBRLJUDTOJA-JTQLQIEISA-N	-1	0	298.345	0.706	20	30		CCEDRM
C#C[C@H](C)NC(=O)c1cc(F)ccc1[N-]S(C)(=O)=O	ZINC000185361054	397422395	/nfs/dbraw/zinc/42/23/95/397422395.db2.gz	SILJXLKRRPQIDX-QMMMGPOBSA-N	-1	0	284.312	0.949	20	30		CCEDRM
Cc1[n-][nH]c(=NC(=O)c2cnn3ccccc23)c1C#N	ZINC000357159498	144065723	/nfs/dbraw/zinc/06/57/23/144065723.db2.gz	BKNMDCGLQJFVMW-UHFFFAOYSA-N	-1	0	266.264	0.912	20	30		CCEDRM
Cc1[n-][nH]c(=NC(=O)c2c[nH]cc2-c2cnn(C)c2)c1C#N	ZINC000357234750	144071791	/nfs/dbraw/zinc/07/17/91/144071791.db2.gz	BDOZXFHQZORWMM-UHFFFAOYSA-N	-1	0	295.306	0.993	20	30		CCEDRM
Cn1cc(-c2n[n-]c(=NCc3nc(C#N)cs3)o2)cn1	ZINC000357712512	144115451	/nfs/dbraw/zinc/11/54/51/144115451.db2.gz	BYQAZFZEEFCOFC-UHFFFAOYSA-N	-1	0	287.308	0.832	20	30		CCEDRM
C=C[C@@](C)(CCOC)C(=O)N=c1ccc(C(=O)NC)n[n-]1	ZINC000650818365	397767323	/nfs/dbraw/zinc/76/73/23/397767323.db2.gz	HYIRHBMEIFVOEX-AWEZNQCLSA-N	-1	0	292.339	0.425	20	30		CCEDRM
CN(CC(C)(C)C(=O)[O-])S(=O)(=O)c1ccc(C#N)nc1	ZINC000547927344	285988751	/nfs/dbraw/zinc/98/87/51/285988751.db2.gz	CZPWLSIHKMTIFF-UHFFFAOYSA-N	-1	0	297.336	0.685	20	30		CCEDRM
Cc1cccc(S(=O)(=O)NCCOCC(=O)[O-])c1C#N	ZINC000548593501	286051058	/nfs/dbraw/zinc/05/10/58/286051058.db2.gz	QFNOCKJRFHBPPL-UHFFFAOYSA-N	-1	0	298.320	0.246	20	30		CCEDRM
C=CCOC[C@H](NC(=O)[C@H]1C[C@H]2C[C@H]2C1)C(=O)[O-]	ZINC000659155326	413317341	/nfs/dbraw/zinc/31/73/41/413317341.db2.gz	CFCXTMIZYKUOBL-ZDCRXTMVSA-N	-1	0	253.298	0.805	20	30		CCEDRM
C=CCC1(NC(=O)[C@H]2CC[C@@H](C(=O)[O-])O2)CCOCC1	ZINC000659188223	413334177	/nfs/dbraw/zinc/33/41/77/413334177.db2.gz	CEWPZBRPTKLIDT-MNOVXSKESA-N	-1	0	283.324	0.860	20	30		CCEDRM
C=CCn1cc(C(=O)N[C@H]2CCC[C@@]2(C)C(=O)[O-])nn1	ZINC000659243193	413352901	/nfs/dbraw/zinc/35/29/01/413352901.db2.gz	SXEVLJNKVSFCDL-GXFFZTMASA-N	-1	0	278.312	0.837	20	30		CCEDRM
C=CCN(CC=C)C(=O)CN(C)[C@H](CC)C(=O)[O-]	ZINC000044622717	411630029	/nfs/dbraw/zinc/63/00/29/411630029.db2.gz	QWIXQPJOFOJZPC-LLVKDONJSA-N	-1	0	254.330	0.982	20	30		CCEDRM
C=CCn1cc(CNC(=O)[C@]2(C(=O)[O-])CC=CCC2)nn1	ZINC000653290551	412281727	/nfs/dbraw/zinc/28/17/27/412281727.db2.gz	ZTOYPHFMVCGBMA-AWEZNQCLSA-N	-1	0	290.323	0.891	20	30		CCEDRM
C=CCOC[C@@H](NC(=O)[C@@H](C)OCC1CC1)C(=O)[O-]	ZINC000653658533	412330743	/nfs/dbraw/zinc/33/07/43/412330743.db2.gz	KOJPYFWZHFNMNX-MWLCHTKSSA-N	-1	0	271.313	0.574	20	30		CCEDRM
C=CC(C)(C)CNC(=O)N1C[C@@H]2COC[C@]2(C(=O)[O-])C1	ZINC000659405283	413477216	/nfs/dbraw/zinc/47/72/16/413477216.db2.gz	GJNKTNANHXYZCM-QMTHXVAHSA-N	-1	0	282.340	0.941	20	30		CCEDRM
C=CCCNC(=O)C(=O)N1CCC[C@@H](CCC(=O)[O-])C1	ZINC000659662337	413759857	/nfs/dbraw/zinc/75/98/57/413759857.db2.gz	DKHUUYJEVFHVFQ-NSHDSACASA-N	-1	0	282.340	0.782	20	30		CCEDRM
C=CCCNC(=O)C(=O)NC[C@H](C(=O)[O-])C(C)C	ZINC000659662642	413760483	/nfs/dbraw/zinc/76/04/83/413760483.db2.gz	UQTHPLMUHOXTRV-VIFPVBQESA-N	-1	0	256.302	0.152	20	30		CCEDRM
C=CCCn1cc(CN2CC[C@H](OC)C[C@@H]2C(=O)[O-])nn1	ZINC000659794570	413880262	/nfs/dbraw/zinc/88/02/62/413880262.db2.gz	RLKZWNWJLLVNKA-QWHCGFSZSA-N	-1	0	294.355	0.918	20	30		CCEDRM
C[C@H](C#N)CN(C)S(=O)(=O)c1c[nH]c(C(=O)[O-])c1	ZINC000037838499	173795300	/nfs/dbraw/zinc/79/53/00/173795300.db2.gz	RYJBTHKUYWPKJD-SSDOTTSWSA-N	-1	0	271.298	0.493	20	30		CCEDRM
N#CCN(CC#N)S(=O)(=O)c1ccc(C(=O)[O-])s1	ZINC000038058453	174068873	/nfs/dbraw/zinc/06/88/73/174068873.db2.gz	NZSYILAIJUVJHD-UHFFFAOYSA-N	-1	0	285.306	0.484	20	30		CCEDRM
C=CCOCC(=O)Nc1ccn(C(C)(C)C(=O)[O-])n1	ZINC000663141188	415005372	/nfs/dbraw/zinc/00/53/72/415005372.db2.gz	UZELIULWOFLGGC-UHFFFAOYSA-N	-1	0	267.285	0.844	20	30		CCEDRM
C=CCn1cc(CNC(=O)[C@H](C(=O)[O-])C2CC2)nn1	ZINC000663056267	414966401	/nfs/dbraw/zinc/96/64/01/414966401.db2.gz	LODSQNKTWMWQKS-SNVBAGLBSA-N	-1	0	264.285	0.191	20	30		CCEDRM
CCc1onc(C)c1C(=O)NCc1n[nH]c(=O)[n-]1	ZINC000330008252	228014692	/nfs/dbraw/zinc/01/46/92/228014692.db2.gz	GNFMUKDETXIZJM-UHFFFAOYSA-N	-1	0	251.246	0.874	20	30		CCEDRM
N#CCC1(O)CN(C(=O)c2c([O-])cccc2F)C1	ZINC000331964683	228141865	/nfs/dbraw/zinc/14/18/65/228141865.db2.gz	MGSKQLJGSNTJFR-UHFFFAOYSA-N	-1	0	250.229	0.632	20	30		CCEDRM
C[C@H](CN(C(=O)CSCC#N)C1CC1)C(=O)[O-]	ZINC000736562669	581791559	/nfs/dbraw/zinc/79/15/59/581791559.db2.gz	UMMKTOSSJOSSDB-MRVPVSSYSA-N	-1	0	256.327	0.955	20	30		CCEDRM
C=CCOCCNC(=O)N[C@H](CC(C)C)C(=O)[O-]	ZINC000302378595	544981738	/nfs/dbraw/zinc/98/17/38/544981738.db2.gz	LREGCMZUQCBHQW-SNVBAGLBSA-N	-1	0	258.318	0.988	20	30		CCEDRM
C=CC[N-]S(=O)(=O)c1scnc1C(=O)OC	ZINC000128528964	260375876	/nfs/dbraw/zinc/37/58/76/260375876.db2.gz	HZJSDTJNRXQZBG-UHFFFAOYSA-N	-1	0	262.312	0.394	20	30		CCEDRM
C#C[C@H](CC)NC(=O)C(=O)N=c1ccc(OC(C)C)n[n-]1	ZINC000491210194	261372125	/nfs/dbraw/zinc/37/21/25/261372125.db2.gz	QYKAVNQVXQVOPZ-SNVBAGLBSA-N	-1	0	290.323	0.152	20	30		CCEDRM
C=CCO[N-]C(=O)C1=NO[C@@H](CNC(=O)OC(C)(C)C)C1	ZINC000497210626	262107252	/nfs/dbraw/zinc/10/72/52/262107252.db2.gz	PHXJUQHAONYNGY-SECBINFHSA-N	-1	0	299.327	0.890	20	30		CCEDRM
N#CC1(CS(=O)(=O)N[C@@H]2C=C[C@@H](C(=O)[O-])C2)CC1	ZINC000275054216	263032307	/nfs/dbraw/zinc/03/23/07/263032307.db2.gz	SUOQVAYNDQPRJS-RKDXNWHRSA-N	-1	0	270.310	0.239	20	30		CCEDRM
C[C@H](C#N)CN(C)S(=O)(=O)N1CCCC[C@H]1C(=O)[O-]	ZINC000251132045	264270608	/nfs/dbraw/zinc/27/06/08/264270608.db2.gz	ULEREDQXMKQONX-ZJUUUORDSA-N	-1	0	289.357	0.262	20	30		CCEDRM
C[C@H](C(=O)[O-])N(C)S(=O)(=O)CC1(C#N)CCC1	ZINC000417476353	264326790	/nfs/dbraw/zinc/32/67/90/264326790.db2.gz	BNSBBGXUQQZCBF-MRVPVSSYSA-N	-1	0	260.315	0.415	20	30		CCEDRM
C[C@H]1[C@H](C(=O)[O-])CCN1S(=O)(=O)CCCC#N	ZINC000370294179	267307631	/nfs/dbraw/zinc/30/76/31/267307631.db2.gz	MGDQBGQIFZPDHE-DTWKUNHWSA-N	-1	0	260.315	0.415	20	30		CCEDRM
CC(C)[C@H](CC(=O)[O-])NS(=O)(=O)c1ccc(C#N)o1	ZINC000287715163	280226031	/nfs/dbraw/zinc/22/60/31/280226031.db2.gz	YHKQGVJVJHZGQG-VIFPVBQESA-N	-1	0	286.309	0.929	20	30		CCEDRM
Cc1nc([N-]S(=O)(=O)c2ccc(C#N)cc2)n(C)n1	ZINC000185840517	302610846	/nfs/dbraw/zinc/61/08/46/302610846.db2.gz	STJCHHOYSNOTOE-UHFFFAOYSA-N	-1	0	277.309	0.796	20	30		CCEDRM
N#CCC1(CS(=O)(=O)N[C@H]2C[C@H](C(=O)[O-])C2)CC1	ZINC000580081690	327693332	/nfs/dbraw/zinc/69/33/32/327693332.db2.gz	BMDDIUWWUXKURS-KYZUINATSA-N	-1	0	272.326	0.463	20	30		CCEDRM
C=CCOC[C@H](NC(=O)NCCCSC)C(=O)[O-]	ZINC000575737197	328084167	/nfs/dbraw/zinc/08/41/67/328084167.db2.gz	RKHJHHUSZCKRNJ-VIFPVBQESA-N	-1	0	276.358	0.695	20	30		CCEDRM
C=CCC[C@@H](NC(=O)C1(C(=O)NC2CC2)CCC1)C(=O)[O-]	ZINC000571509873	328129470	/nfs/dbraw/zinc/12/94/70/328129470.db2.gz	BIPQODJUKBEOTQ-LLVKDONJSA-N	-1	0	294.351	0.971	20	30		CCEDRM
COCC[C@H](NC(=O)c1cccc(CC#N)c1)C(=O)[O-]	ZINC000262329673	328149130	/nfs/dbraw/zinc/14/91/30/328149130.db2.gz	USVDPCSIBARHIJ-LBPRGKRZSA-N	-1	0	276.292	0.972	20	30		CCEDRM
C=C[C@@H]1OCC[C@H]1C(=O)N1CCC(c2n[nH]c(=O)[n-]2)CC1	ZINC000564657671	327209617	/nfs/dbraw/zinc/20/96/17/327209617.db2.gz	ACAVTXJIOSDMKF-MNOVXSKESA-N	-1	0	292.339	0.807	20	30		CCEDRM
C=CCOC[C@H](NC(=O)NCc1scnc1C)C(=O)[O-]	ZINC000573903854	327270041	/nfs/dbraw/zinc/27/00/41/327270041.db2.gz	DFIYWDRKIGWZSI-VIFPVBQESA-N	-1	0	299.352	0.907	20	30		CCEDRM
C=CCSCCNC(=O)C(=O)N(C)C[C@H](C)C(=O)[O-]	ZINC000420533158	329777214	/nfs/dbraw/zinc/77/72/14/329777214.db2.gz	BNDXVFLPSKZBAP-VIFPVBQESA-N	-1	0	288.369	0.201	20	30		CCEDRM
CC(C)C[C@@H](CNS(=O)(=O)CC1(C#N)CC1)C(=O)[O-]	ZINC000262422368	330009549	/nfs/dbraw/zinc/00/95/49/330009549.db2.gz	BOSITEFVUWYAPU-JTQLQIEISA-N	-1	0	288.369	0.956	20	30		CCEDRM
C=C(C)C[C@H](C)C(=O)NCc1cn(CC(=O)[O-])nn1	ZINC000262850808	330035492	/nfs/dbraw/zinc/03/54/92/330035492.db2.gz	WXHGLXYISBALCJ-VIFPVBQESA-N	-1	0	266.301	0.581	20	30		CCEDRM
C=CCOC[C@H](NC(=O)C1(COCC)CC1)C(=O)[O-]	ZINC000263186399	330048080	/nfs/dbraw/zinc/04/80/80/330048080.db2.gz	ZZTWAIJGJDFOTK-JTQLQIEISA-N	-1	0	271.313	0.575	20	30		CCEDRM
C[C@H](CC#N)N(C)S(=O)(=O)N1C[C@@H](C)[C@H](C(=O)[O-])C1	ZINC000263212931	330049481	/nfs/dbraw/zinc/04/94/81/330049481.db2.gz	ZIQQQYXTTWQBHZ-OPRDCNLKSA-N	-1	0	289.357	0.118	20	30		CCEDRM
C#C[C@H](NC(=O)N(C)C[C@H](C)C(=O)[O-])[C@H]1CCCO1	ZINC000263376091	330053281	/nfs/dbraw/zinc/05/32/81/330053281.db2.gz	OGZZRALZFBPSBS-GARJFASQSA-N	-1	0	268.313	0.529	20	30		CCEDRM
C=C[C@@H]1OCCC[C@H]1NC(=O)N1CC[C@H](C(=O)[O-])C1	ZINC000263420717	330055024	/nfs/dbraw/zinc/05/50/24/330055024.db2.gz	WVZUNQSZBIVUEJ-AXFHLTTASA-N	-1	0	268.313	0.836	20	30		CCEDRM
C[C@@H](CC#N)N(C)S(=O)(=O)N1CC[C@@](C)(C(=O)[O-])C1	ZINC000263452870	330056507	/nfs/dbraw/zinc/05/65/07/330056507.db2.gz	BCIOUHUTLGVCRN-GXSJLCMTSA-N	-1	0	289.357	0.262	20	30		CCEDRM
C#CCNC(=O)c1ccc(N2CCC(C(=O)[O-])CC2)nc1	ZINC000263524976	330058879	/nfs/dbraw/zinc/05/88/79/330058879.db2.gz	SVVDGXQBHZRIHC-UHFFFAOYSA-N	-1	0	287.319	0.746	20	30		CCEDRM
CC(C)C[C@@H](NS(=O)(=O)N(C)[C@@H](C)CC#N)C(=O)[O-]	ZINC000263540916	330059114	/nfs/dbraw/zinc/05/91/14/330059114.db2.gz	CRUPXTNMNSZVJQ-VHSXEESVSA-N	-1	0	291.373	0.554	20	30		CCEDRM
CC(C)(CC#N)CS(=O)(=O)N1CC[C@@H](C(=O)[O-])C1	ZINC000263543978	330059175	/nfs/dbraw/zinc/05/91/75/330059175.db2.gz	FPHYXULVCAODOJ-SECBINFHSA-N	-1	0	274.342	0.663	20	30		CCEDRM
CCN(C[C@H](C)C#N)S(=O)(=O)N[C@@H](C(=O)[O-])C(C)C	ZINC000263552008	330059457	/nfs/dbraw/zinc/05/94/57/330059457.db2.gz	LOEFMWLCVQUCPH-NXEZZACHSA-N	-1	0	291.373	0.412	20	30		CCEDRM
C=CCOC[C@H](NC(=O)[C@]12C[C@H]1CCC2)C(=O)[O-]	ZINC000422572553	330149466	/nfs/dbraw/zinc/14/94/66/330149466.db2.gz	JWBUUHCWACUKAX-GBIKHYSHSA-N	-1	0	253.298	0.949	20	30		CCEDRM
C=CC1CCN(C(=O)C(=O)N2CCC[C@H](C(=O)[O-])C2)CC1	ZINC000422822770	330156506	/nfs/dbraw/zinc/15/65/06/330156506.db2.gz	KNVFJZUIDSIDRI-LBPRGKRZSA-N	-1	0	294.351	0.734	20	30		CCEDRM
C=CCn1cc(CNC(=O)N=c2[n-]nc(C)s2)nn1	ZINC000424104494	330233776	/nfs/dbraw/zinc/23/37/76/330233776.db2.gz	GYCANSOGQIHUSX-UHFFFAOYSA-N	-1	0	279.329	0.368	20	30		CCEDRM
C=C(CC)CNC(=O)C(=O)NC[C@@H](CC(C)C)C(=O)[O-]	ZINC000424489254	330356827	/nfs/dbraw/zinc/35/68/27/330356827.db2.gz	POJDTYYAIAACFR-LLVKDONJSA-N	-1	0	284.356	0.932	20	30		CCEDRM
CC(C)(CCNC(=O)C(=O)NCCCC#N)C(=O)[O-]	ZINC000424492167	330357911	/nfs/dbraw/zinc/35/79/11/330357911.db2.gz	ZVVXDFGMRRCUSU-UHFFFAOYSA-N	-1	0	269.301	0.023	20	30		CCEDRM
C=CCCOCCNC(=O)N=c1nc2n([n-]1)CCCC2	ZINC000456012940	331182454	/nfs/dbraw/zinc/18/24/54/331182454.db2.gz	MNGZKXGLSDZIBX-UHFFFAOYSA-N	-1	0	279.344	0.751	20	30		CCEDRM
C#CCCS(=O)(=O)[N-]C(=O)/C=C/c1ccc[nH]1	ZINC000492911184	332418382	/nfs/dbraw/zinc/41/83/82/332418382.db2.gz	LCHZETHKZCPFQY-VOTSOKGWSA-N	-1	0	252.295	0.497	20	30		CCEDRM
C=CCS(=O)(=O)[N-]C(=O)/C=C\c1cccnc1	ZINC000492923899	332418791	/nfs/dbraw/zinc/41/87/91/332418791.db2.gz	IMMOKZPMXRBLHB-WAYWQWQTSA-N	-1	0	252.295	0.727	20	30		CCEDRM
C=C[C@](C)(CCOC)C(=O)NCc1n[n-]c(=N)o1	ZINC000552159351	334296683	/nfs/dbraw/zinc/29/66/83/334296683.db2.gz	JFCNOPFAGMFXKN-LLVKDONJSA-N	-1	0	254.290	0.327	20	30		CCEDRM
C#CCN(CC#N)S(=O)(=O)c1ccc(C(=O)[O-])cc1F	ZINC000312169168	333077859	/nfs/dbraw/zinc/07/78/59/333077859.db2.gz	YPSZNQNTOPBCHB-UHFFFAOYSA-N	-1	0	296.279	0.671	20	30		CCEDRM
C[C@H](CC#N)N(C)S(=O)(=O)N1CC[C@H](C(=O)[O-])[C@@H]1C	ZINC000517376515	333098347	/nfs/dbraw/zinc/09/83/47/333098347.db2.gz	LPLSZTKVXNPMFC-UTLUCORTSA-N	-1	0	289.357	0.260	20	30		CCEDRM
C=CCOC[C@@H](NS(=O)(=O)C1(C)CC1)C(=O)[O-]	ZINC000575865458	335124535	/nfs/dbraw/zinc/12/45/35/335124535.db2.gz	CRDNDAFHSUEBIX-MRVPVSSYSA-N	-1	0	263.315	0.114	20	30		CCEDRM
C=CCC[C@@H](NC(=O)/C=C/c1ccnn1C)C(=O)[O-]	ZINC000316508932	333397394	/nfs/dbraw/zinc/39/73/94/333397394.db2.gz	SUVFDXZQTYHHFT-XUIVZRPNSA-N	-1	0	263.297	0.969	20	30		CCEDRM
C[C@@H]1CCN(S(=O)(=O)CCCC#N)[C@@H]1C(=O)[O-]	ZINC000547923471	334129376	/nfs/dbraw/zinc/12/93/76/334129376.db2.gz	CDWOHWQDRNZXAR-BDAKNGLRSA-N	-1	0	260.315	0.415	20	30		CCEDRM
C[C@]1(C(=O)[O-])CCC[C@H]1NS(=O)(=O)CCCC#N	ZINC000548556832	334162531	/nfs/dbraw/zinc/16/25/31/334162531.db2.gz	QEZKNRUXGZAJJC-KOLCDFICSA-N	-1	0	274.342	0.853	20	30		CCEDRM
CC(C)N([C@H](C)C(=O)[O-])S(=O)(=O)N(C)CCC#N	ZINC000548555756	334162549	/nfs/dbraw/zinc/16/25/49/334162549.db2.gz	BDDJACINPBJPED-SECBINFHSA-N	-1	0	277.346	0.260	20	30		CCEDRM
C=CCCS(=O)(=O)NC1(CC(=O)[O-])CCOCC1	ZINC000564920258	334528298	/nfs/dbraw/zinc/52/82/98/334528298.db2.gz	FBJDCCWBPHXQOS-UHFFFAOYSA-N	-1	0	277.342	0.506	20	30		CCEDRM
C=CCC[C@@H](NC(=O)Cn1ccc([N+](=O)[O-])n1)C(=O)[O-]	ZINC000262853736	334575707	/nfs/dbraw/zinc/57/57/07/334575707.db2.gz	IAYIBUDLHOBBFG-MRVPVSSYSA-N	-1	0	282.256	0.327	20	30		CCEDRM
C[C@H](CC#N)N(C)S(=O)(=O)N[C@@H](C(=O)[O-])C(C)(C)C	ZINC000567114562	334682204	/nfs/dbraw/zinc/68/22/04/334682204.db2.gz	RFSOCTPVKUSCFT-BDAKNGLRSA-N	-1	0	291.373	0.554	20	30		CCEDRM
C=CCOC[C@@H](NC(=O)c1ncn(C(C)(C)C)n1)C(=O)[O-]	ZINC000573094436	334907875	/nfs/dbraw/zinc/90/78/75/334907875.db2.gz	WYELPNWHJCWZJV-SECBINFHSA-N	-1	0	296.327	0.419	20	30		CCEDRM
C=CCOC[C@@H](NC(=O)[C@H](C)OCC(C)C)C(=O)[O-]	ZINC000573203986	334917102	/nfs/dbraw/zinc/91/71/02/334917102.db2.gz	ZTTUZWAOPGHVGL-WDEREUQCSA-N	-1	0	273.329	0.820	20	30		CCEDRM
C=C(C)COCCNC(=O)N1CCOC[C@@H]1C(=O)[O-]	ZINC000166868218	334918646	/nfs/dbraw/zinc/91/86/46/334918646.db2.gz	DNUBGHYTXXHPPU-SNVBAGLBSA-N	-1	0	272.301	0.074	20	30		CCEDRM
C=C(C)CS(=O)(=O)N1CC(C)(C)OC[C@H]1C(=O)[O-]	ZINC000576470129	335208387	/nfs/dbraw/zinc/20/83/87/335208387.db2.gz	USMLJOVPPHUAPO-VIFPVBQESA-N	-1	0	277.342	0.456	20	30		CCEDRM
CC#CCN(C)C(=O)C(=O)N1CC[C@@H](C)[C@@H](C(=O)[O-])C1	ZINC000577610385	335377776	/nfs/dbraw/zinc/37/77/76/335377776.db2.gz	GQLWTOBQZKNPHC-MNOVXSKESA-N	-1	0	280.324	0.037	20	30		CCEDRM
C=C[C@@H](CCC(=O)[O-])NS(=O)(=O)N(C)CCCC	ZINC000577703380	335390512	/nfs/dbraw/zinc/39/05/12/335390512.db2.gz	ZWQCZMPXOIQAPH-JTQLQIEISA-N	-1	0	278.374	0.972	20	30		CCEDRM
CC(C)N([C@@H](C)C(=O)[O-])S(=O)(=O)N(C)[C@H](C)CC#N	ZINC000578898269	335687218	/nfs/dbraw/zinc/68/72/18/335687218.db2.gz	SNXQCVXTGZJKEV-ZJUUUORDSA-N	-1	0	291.373	0.649	20	30		CCEDRM
C[C@@H](CCCC(=O)[O-])NS(=O)(=O)CC1(C#N)CC1	ZINC000579904990	335920609	/nfs/dbraw/zinc/92/06/09/335920609.db2.gz	GODRMGQQBXLHPG-VIFPVBQESA-N	-1	0	274.342	0.853	20	30		CCEDRM
C=C(C)COCCNC(=O)N[C@@](C)(COC)C(=O)[O-]	ZINC000380986762	336042749	/nfs/dbraw/zinc/04/27/49/336042749.db2.gz	FSKFSAPUTWKVLZ-LBPRGKRZSA-N	-1	0	274.317	0.368	20	30		CCEDRM
COC(=O)[C@@H](CF)[N-]S(=O)(=O)CCCCC#N	ZINC000344950605	534256161	/nfs/dbraw/zinc/25/61/61/534256161.db2.gz	DMLKMMBUOVIFMY-MRVPVSSYSA-N	-1	0	266.294	0.111	20	30		CCEDRM
CSc1[n-]c(=O)c(C(=O)N[C@H](C)CCO)cc1C#N	ZINC000340027088	526215121	/nfs/dbraw/zinc/21/51/21/526215121.db2.gz	LSASUMKCBBSADX-SSDOTTSWSA-N	-1	0	281.337	0.881	20	30		CCEDRM
CC(C)c1[n-]n(C)c(=O)c1C(=O)N[C@H](C)c1nncn1C	ZINC000329010598	527625306	/nfs/dbraw/zinc/62/53/06/527625306.db2.gz	OKZKIHGDRGWFHC-BDAKNGLRSA-N	-1	0	292.343	0.933	20	30		CCEDRM
COc1cnc([N-]S(=O)(=O)c2cncc(C#N)c2)nc1	ZINC000357391974	537126396	/nfs/dbraw/zinc/12/63/96/537126396.db2.gz	QYFZRUBORJRCGU-UHFFFAOYSA-N	-1	0	291.292	0.553	20	30		CCEDRM
C=CC[C@@H](NS(=O)(=O)c1c[nH]c(C(C)C)n1)C(=O)[O-]	ZINC000681557819	545456271	/nfs/dbraw/zinc/45/62/71/545456271.db2.gz	GYMBWURYDRGWJV-MRVPVSSYSA-N	-1	0	287.341	0.841	20	30		CCEDRM
C=CCCOCC(=O)N[C@H](C(=O)[O-])[C@@H]1CCCOC1	ZINC000683332963	545508501	/nfs/dbraw/zinc/50/85/01/545508501.db2.gz	BNSSYXXYZUCWNG-PWSUYJOCSA-N	-1	0	271.313	0.575	20	30		CCEDRM
C=CCOCCNC(=O)c1ccoc1CC(=O)[O-]	ZINC000305989074	649892419	/nfs/dbraw/zinc/89/24/19/649892419.db2.gz	GSCVRXLKBPGWPJ-UHFFFAOYSA-N	-1	0	253.254	0.839	20	30		CCEDRM
N#C[C@@H]1CN(C(=O)N[C@H]2CCCN(C(=O)[O-])C2)CCO1	ZINC000739070053	581166325	/nfs/dbraw/zinc/16/63/25/581166325.db2.gz	WXFGOWTXKKIHRY-VHSXEESVSA-N	-1	0	282.300	0.063	20	30		CCEDRM
CCC[C@@H](NC(=O)[O-])C(=O)NC1CCN(CC#N)CC1	ZINC000739313934	581107043	/nfs/dbraw/zinc/10/70/43/581107043.db2.gz	PPXZSNRSIFPPCH-LLVKDONJSA-N	-1	0	282.344	0.527	20	30		CCEDRM
COc1nc(C)ccc1C(=O)[N-]S(=O)(=O)CCCC#N	ZINC000777341794	581113094	/nfs/dbraw/zinc/11/30/94/581113094.db2.gz	KRFSEXQAFKDQSX-UHFFFAOYSA-N	-1	0	297.336	0.762	20	30		CCEDRM
N#Cc1ccc([C@@H](O)C(=O)[N-]OC[C@H]2CCOC2)cc1	ZINC000788573579	581116941	/nfs/dbraw/zinc/11/69/41/581116941.db2.gz	GLMRFIJYAMEQJF-WCQYABFASA-N	-1	0	276.292	0.676	20	30		CCEDRM
C[C@H](NC(=O)[O-])[C@H]1CCCCN1CC(=O)NCC#N	ZINC000739008199	581123840	/nfs/dbraw/zinc/12/38/40/581123840.db2.gz	IJZGEYDNYYQWPI-VHSXEESVSA-N	-1	0	268.317	0.137	20	30		CCEDRM
NC(=O)CON=C1CC[C@@H](C(=O)[O-])c2ccccc21	ZINC000789036304	581131809	/nfs/dbraw/zinc/13/18/09/581131809.db2.gz	BRWZQAMMJQNERX-SNVBAGLBSA-N	-1	0	262.265	0.855	20	30		CCEDRM
C[C@H](Oc1ccc(C#N)cc1)C(=O)NC1CN(C(=O)[O-])C1	ZINC000739048319	581147118	/nfs/dbraw/zinc/14/71/18/581147118.db2.gz	KRBQLMWCOMPFRT-VIFPVBQESA-N	-1	0	289.291	0.804	20	30		CCEDRM
CO[N-]C(=O)C(=O)Nc1cc(C#N)cn1C(C)(C)C	ZINC000789777075	581156330	/nfs/dbraw/zinc/15/63/30/581156330.db2.gz	TYFQPAVLXWGQKD-UHFFFAOYSA-N	-1	0	264.285	0.731	20	30		CCEDRM
COCCO[N-]C(=O)C(=O)Nc1cc(C#N)ccc1OC	ZINC000789825118	581158434	/nfs/dbraw/zinc/15/84/34/581158434.db2.gz	BZMFASVUEGAVDR-UHFFFAOYSA-N	-1	0	293.279	0.200	20	30		CCEDRM
Cc1c(C(=O)/C=C/c2cn(CC(=O)[O-])nn2)cnn1C	ZINC000778517354	581158684	/nfs/dbraw/zinc/15/86/84/581158684.db2.gz	IXOWHVLBZJUTIV-ONEGZZNKSA-N	-1	0	275.268	0.301	20	30		CCEDRM
C=CCNC(=O)C(C#N)=C([O-])c1cnc(OCC)cn1	ZINC000778606419	581160677	/nfs/dbraw/zinc/16/06/77/581160677.db2.gz	MVSLRDINYFTZKO-VIFPVBQESA-N	-1	0	274.280	0.500	20	30		CCEDRM
CCO[C@@H](C)C(=O)[N-]S(=O)(=O)CC1(C#N)CCCC1	ZINC000779320813	581180613	/nfs/dbraw/zinc/18/06/13/581180613.db2.gz	DHQVXHQAHIAKMK-JTQLQIEISA-N	-1	0	288.369	0.941	20	30		CCEDRM
C[C@H]1CN=C(NN=Cc2[nH]nc3cc(C(=O)[O-])ccc23)N1	ZINC000779791220	581205199	/nfs/dbraw/zinc/20/51/99/581205199.db2.gz	HZVPUJSNDQXTNB-ZETCQYMHSA-N	-1	0	286.295	0.532	20	30		CCEDRM
C#CCCS(=O)(=O)[N-]C(=O)c1ccc(C(=O)OC)cc1	ZINC000791110310	581207730	/nfs/dbraw/zinc/20/77/30/581207730.db2.gz	BTJKXDKOOGHVEC-UHFFFAOYSA-N	-1	0	295.316	0.556	20	30		CCEDRM
COc1cncc(C([O-])=C(C#N)C(=O)Nc2ccccn2)n1	ZINC000791785092	581234008	/nfs/dbraw/zinc/23/40/08/581234008.db2.gz	ZNYRLVBWSQEQBM-SECBINFHSA-N	-1	0	297.274	0.841	20	30		CCEDRM
CCn1nc(C)cc1C([O-])=C(C#N)C(=O)NC1CC1	ZINC000726321553	581236814	/nfs/dbraw/zinc/23/68/14/581236814.db2.gz	MFUHVEWODYPYEI-JTQLQIEISA-N	-1	0	260.297	0.813	20	30		CCEDRM
CC[C@@H](NN=Cc1c[nH]c(C(=O)OC)c1)C(=O)[O-]	ZINC000793071366	581283306	/nfs/dbraw/zinc/28/33/06/581283306.db2.gz	DFDBFFJRUXMFNJ-MRVPVSSYSA-N	-1	0	253.258	0.588	20	30		CCEDRM
CC(C)OCCCNC(=O)C(C#N)=C([O-])c1cnn(C)n1	ZINC000793123000	581284636	/nfs/dbraw/zinc/28/46/36/581284636.db2.gz	LCHJEMJZWQHLNX-JTQLQIEISA-N	-1	0	293.327	0.069	20	30		CCEDRM
CC1(C)C[C@H]1C(=O)[N-]S(=O)(=O)CC1(C#N)CC1	ZINC000793194817	581287874	/nfs/dbraw/zinc/28/78/74/581287874.db2.gz	ZZIRZENZDZOFLQ-QMMMGPOBSA-N	-1	0	256.327	0.782	20	30		CCEDRM
C#CCOCCC(=O)[N-]S(=O)(=O)Cc1ccccn1	ZINC000793316641	581294465	/nfs/dbraw/zinc/29/44/65/581294465.db2.gz	CBKYNJHEBBZRCK-UHFFFAOYSA-N	-1	0	282.321	0.068	20	30		CCEDRM
N#Cc1c[n-]n2c1nc(COC(=O)[C@@H]1CCCO1)cc2=O	ZINC000782372414	581299922	/nfs/dbraw/zinc/29/99/22/581299922.db2.gz	MRCBTPVCXIGHIO-JTQLQIEISA-N	-1	0	288.263	0.529	20	30		CCEDRM
CC1(C(=O)[N-]S(=O)(=O)c2cccc(C#N)c2)COC1	ZINC000782577842	581307184	/nfs/dbraw/zinc/30/71/84/581307184.db2.gz	SUEWBTRBCSFCPJ-UHFFFAOYSA-N	-1	0	280.305	0.400	20	30		CCEDRM
CC1(C(=O)[N-]S(=O)(=O)Cc2ccccc2C#N)COC1	ZINC000782573070	581308467	/nfs/dbraw/zinc/30/84/67/581308467.db2.gz	HYFKKHYSFIZZGN-UHFFFAOYSA-N	-1	0	294.332	0.541	20	30		CCEDRM
N#CCCCS(=O)(=O)NC[C@H]1CCCN(C(=O)[O-])C1	ZINC000740307141	581323054	/nfs/dbraw/zinc/32/30/54/581323054.db2.gz	OQFICTDIPUFHDJ-SNVBAGLBSA-N	-1	0	289.357	0.600	20	30		CCEDRM
N#CCCCS(=O)(=O)NC[C@@H]1CCCN1C(=O)[O-]	ZINC000740308332	581323179	/nfs/dbraw/zinc/32/31/79/581323179.db2.gz	XPCVAUFVOGLCSY-VIFPVBQESA-N	-1	0	275.330	0.352	20	30		CCEDRM
C#CCCN1CCN(C(=O)[C@@H]2CCC[C@H]2NC(=O)[O-])CC1	ZINC000738457716	581332125	/nfs/dbraw/zinc/33/21/25/581332125.db2.gz	VHXOMFBNTSPLMQ-CHWSQXEVSA-N	-1	0	293.367	0.590	20	30		CCEDRM
C#CCNC(=O)[C@H](C)N1CCC[C@@H](N(C)C(=O)[O-])C1	ZINC000738461163	581333686	/nfs/dbraw/zinc/33/36/86/581333686.db2.gz	OMBKLBUCKPDSND-WDEREUQCSA-N	-1	0	267.329	0.199	20	30		CCEDRM
C#CCN1CCN(C(=O)[C@H]2CCCCN2C(=O)[O-])CC1	ZINC000738462068	581333902	/nfs/dbraw/zinc/33/39/02/581333902.db2.gz	WEUPFDBRAVKWJM-GFCCVEGCSA-N	-1	0	279.340	0.296	20	30		CCEDRM
C#Cc1ccc(C(=O)NCCN(C(=O)[O-])C2CC2)nc1	ZINC000738468077	581342133	/nfs/dbraw/zinc/34/21/33/581342133.db2.gz	SNQLOQRHKDWCLM-UHFFFAOYSA-N	-1	0	273.292	0.935	20	30		CCEDRM
C#Cc1ccc(C(=O)NCCN(CC)C(=O)[O-])cn1	ZINC000738468103	581342321	/nfs/dbraw/zinc/34/23/21/581342321.db2.gz	TYQYVBZAWNPHQU-UHFFFAOYSA-N	-1	0	261.281	0.793	20	30		CCEDRM
C#Cc1ccc(C(=O)NCC[C@@H](C)NC(=O)[O-])nc1	ZINC000738468396	581342509	/nfs/dbraw/zinc/34/25/09/581342509.db2.gz	VDFJJJZXINVBSG-SECBINFHSA-N	-1	0	261.281	0.839	20	30		CCEDRM
Cc1ccc(O)c(C=NNc2nnc(C)c(=O)[n-]2)n1	ZINC000728780193	581370261	/nfs/dbraw/zinc/37/02/61/581370261.db2.gz	XNVIHCSWLVVHGE-UHFFFAOYSA-N	-1	0	260.257	0.741	20	30		CCEDRM
CC(C)[C@@H](F)C(=O)[N-]S(=O)(=O)CCCC#N	ZINC000784540643	581387628	/nfs/dbraw/zinc/38/76/28/581387628.db2.gz	LBKXBEVZLSGAOF-MRVPVSSYSA-N	-1	0	250.295	0.730	20	30		CCEDRM
CNC(=O)C(C#N)=C([O-])c1ccc2nsnc2c1	ZINC000784834028	581395269	/nfs/dbraw/zinc/39/52/69/581395269.db2.gz	RDTIPVPBRVTTCL-ZETCQYMHSA-N	-1	0	260.278	0.760	20	30		CCEDRM
C=CCNC(=O)Nc1ccc(NC(=O)C(=O)[N-]OC)cc1	ZINC000785368476	581406887	/nfs/dbraw/zinc/40/68/87/581406887.db2.gz	HOUOGCYUMHHNGJ-UHFFFAOYSA-N	-1	0	292.295	0.610	20	30		CCEDRM
CC[C@@H](C)[C@H](OC)C(=O)[N-]S(=O)(=O)CCCC#N	ZINC000796813111	581451278	/nfs/dbraw/zinc/45/12/78/581451278.db2.gz	UFSSFZDVGOXRRO-ZJUUUORDSA-N	-1	0	276.358	0.797	20	30		CCEDRM
CC(C)(C#N)CS(=O)(=O)[N-]C(=O)c1ccc(C#N)o1	ZINC000797032310	581458279	/nfs/dbraw/zinc/45/82/79/581458279.db2.gz	REWZIJITYLMPKW-UHFFFAOYSA-N	-1	0	281.293	0.761	20	30		CCEDRM
C=CCS(=O)(=O)[N-]C(=O)COCc1ncc(C)o1	ZINC000797183530	581461131	/nfs/dbraw/zinc/46/11/31/581461131.db2.gz	LILRTGUWUQUADN-UHFFFAOYSA-N	-1	0	274.298	0.132	20	30		CCEDRM
C#CCOCCNC(=O)c1cc(=O)n(-c2ccc(C)cc2)[n-]1	ZINC000753240600	581533327	/nfs/dbraw/zinc/53/33/27/581533327.db2.gz	JHJNKFKUPLJTIR-UHFFFAOYSA-N	-1	0	299.330	0.854	20	30		CCEDRM
CCN(C[C@@H](C)C#N)C(=O)[C@@H]1CCN(C(=O)[O-])C1	ZINC000739404877	581547395	/nfs/dbraw/zinc/54/73/95/581547395.db2.gz	SQEHYTZSLJOGDB-VHSXEESVSA-N	-1	0	253.302	0.994	20	30		CCEDRM
CCN(CCC#N)C(=O)CN(C)[C@H](C)CNC(=O)[O-]	ZINC000739414695	581549133	/nfs/dbraw/zinc/54/91/33/581549133.db2.gz	JKIXKAXYVFSFET-SNVBAGLBSA-N	-1	0	270.333	0.336	20	30		CCEDRM
CN(C(=O)[O-])[C@@H]1CCCN(c2nccnc2C#N)C1	ZINC000739588783	581576638	/nfs/dbraw/zinc/57/66/38/581576638.db2.gz	QYDPKVPAZNDYQY-SECBINFHSA-N	-1	0	261.285	0.927	20	30		CCEDRM
N#CCCCCNC(=O)CN(C[C@H]1CCCO1)C(=O)[O-]	ZINC000740306722	581662828	/nfs/dbraw/zinc/66/28/28/581662828.db2.gz	KJMQZIQIDKNLDX-LLVKDONJSA-N	-1	0	283.328	0.955	20	30		CCEDRM
N#CC1(C(=O)NC2CCN(C(=O)[O-])CC2)CCOCC1	ZINC000740308876	581663430	/nfs/dbraw/zinc/66/34/30/581663430.db2.gz	DAIXIPNPIAPUSO-UHFFFAOYSA-N	-1	0	281.312	0.565	20	30		CCEDRM
N#CC1(C(=O)N2CC[C@@H](NC(=O)[O-])C2)CCCC1	ZINC000740309440	581663826	/nfs/dbraw/zinc/66/38/26/581663826.db2.gz	HHXAIRKGSKQDFY-SECBINFHSA-N	-1	0	251.286	0.939	20	30		CCEDRM
N#CC1(C(=O)N2CC[C@H](CNC(=O)[O-])C2)CCC1	ZINC000740311088	581663917	/nfs/dbraw/zinc/66/39/17/581663917.db2.gz	YADSMHMPOKUSKF-SECBINFHSA-N	-1	0	251.286	0.796	20	30		CCEDRM
N#Cc1ccc(NC(=O)[C@H]2CCN(C(=O)[O-])C2)nc1	ZINC000740314872	581664531	/nfs/dbraw/zinc/66/45/31/581664531.db2.gz	CWDFMHKOTDRJSZ-VIFPVBQESA-N	-1	0	260.253	0.892	20	30		CCEDRM
C#CCOCCC(=O)[N-]S(=O)(=O)c1ccc(C)s1	ZINC000756499938	581669250	/nfs/dbraw/zinc/66/92/50/581669250.db2.gz	KMBNNBJFSHURNQ-UHFFFAOYSA-N	-1	0	287.362	0.901	20	30		CCEDRM
C=C(C)[C@@H](CC(=O)[N-]S(=O)(=O)[C@@H](C)COC)OCC	ZINC000756563743	581671656	/nfs/dbraw/zinc/67/16/56/581671656.db2.gz	QMSOHNGRLFTACE-WDEREUQCSA-N	-1	0	293.385	0.839	20	30		CCEDRM
C#CCCNC(=O)C(=O)Nc1ccc(N(C)C(=O)[O-])cc1	ZINC000736076220	581694776	/nfs/dbraw/zinc/69/47/76/581694776.db2.gz	CBSLAUSVULRSEN-UHFFFAOYSA-N	-1	0	289.291	0.879	20	30		CCEDRM
C#CCCN1CCN(C(=O)[C@H](NC(=O)[O-])C(C)C)CC1	ZINC000736077372	581695345	/nfs/dbraw/zinc/69/53/45/581695345.db2.gz	SELSHWZIIIWVRQ-GFCCVEGCSA-N	-1	0	281.356	0.446	20	30		CCEDRM
C=CCOCC(=O)NCc1cccc(OCC(=O)[O-])c1	ZINC000736109386	581696069	/nfs/dbraw/zinc/69/60/69/581696069.db2.gz	KVBMXKJMZIQVTO-UHFFFAOYSA-N	-1	0	279.292	0.969	20	30		CCEDRM
C=CCNC(=O)NC(=O)[C@@H](C)S[C@@H](C)CC(=O)[O-]	ZINC000736105797	581696966	/nfs/dbraw/zinc/69/69/66/581696966.db2.gz	LQZNLVYKGKXCCU-JGVFFNPUSA-N	-1	0	274.342	0.983	20	30		CCEDRM
C#Cc1ccc(C(=O)N[C@H]2CCCN(C(=O)[O-])C2)cn1	ZINC000736093310	581701494	/nfs/dbraw/zinc/70/14/94/581701494.db2.gz	RIOQBGOZCGDREI-LBPRGKRZSA-N	-1	0	273.292	0.935	20	30		CCEDRM
C=C(C)CN(CC)C(=O)COC(=O)[C@@H]1C[C@H]1C(=O)[O-]	ZINC000736095073	581702145	/nfs/dbraw/zinc/70/21/45/581702145.db2.gz	HLEDEYQBWQPBAT-NXEZZACHSA-N	-1	0	269.297	0.675	20	30		CCEDRM
C=C(Cl)CN(CCN1CCOCC1)CC(=O)[O-]	ZINC000736094570	581702258	/nfs/dbraw/zinc/70/22/58/581702258.db2.gz	NCYUIDNKDYCFBX-UHFFFAOYSA-N	-1	0	262.737	0.458	20	30		CCEDRM
CC(=NNCCS(C)(=O)=O)c1ccccc1C(=O)[O-]	ZINC000757465363	581702641	/nfs/dbraw/zinc/70/26/41/581702641.db2.gz	MXIJLXUUNOROQQ-UHFFFAOYSA-N	-1	0	284.337	0.743	20	30		CCEDRM
Cc1nnc(NN=Cc2cn3cccnc3n2)[n-]c1=O	ZINC000757559714	581703331	/nfs/dbraw/zinc/70/33/31/581703331.db2.gz	HKXBUAXTFBBVSX-UHFFFAOYSA-N	-1	0	270.256	0.374	20	30		CCEDRM
CC[C@@H](C#N)NC(=O)c1ccc(-c2nn[nH]n2)nc1	ZINC000736309126	581735521	/nfs/dbraw/zinc/73/55/21/581735521.db2.gz	KKSLUJNBOQHNQF-QMMMGPOBSA-N	-1	0	257.257	0.294	20	30		CCEDRM
CC(C)(NC(=O)[O-])C(=O)N1CCN(C2CC2)[C@H](C#N)C1	ZINC000736324186	581740613	/nfs/dbraw/zinc/74/06/13/581740613.db2.gz	CNHSHPSBALEFPP-SNVBAGLBSA-N	-1	0	280.328	0.231	20	30		CCEDRM
CC(C)[C@](C)(C#N)NC(=O)COC(=O)[C@@H]1C[C@H]1C(=O)[O-]	ZINC000736348964	581748824	/nfs/dbraw/zinc/74/88/24/581748824.db2.gz	FBOPTYBGWPTGBB-KKFJDGPESA-N	-1	0	282.296	0.305	20	30		CCEDRM
O=C1CNC(=O)N1N=Cc1cc(Cl)cc([N+](=O)[O-])c1[O-]	ZINC000770615284	581756475	/nfs/dbraw/zinc/75/64/75/581756475.db2.gz	CHNKITKSUHXUIY-UHFFFAOYSA-N	-1	0	298.642	0.840	20	30		CCEDRM
Cn1ccnc1C([O-])=C(C#N)C(=O)C[C@@H]1CCCO1	ZINC000770730032	581764930	/nfs/dbraw/zinc/76/49/30/581764930.db2.gz	HQIWGFRMONNDDI-UWVGGRQHSA-N	-1	0	261.281	0.881	20	30		CCEDRM
CC(C)CCn1cc(C(=O)N(CC#N)CC(=O)[O-])nn1	ZINC000736435628	581766999	/nfs/dbraw/zinc/76/69/99/581766999.db2.gz	JUVMCRNFNUFKEC-UHFFFAOYSA-N	-1	0	279.300	0.375	20	30		CCEDRM
CO[C@H](C(=O)[N-]S(=O)(=O)CC1(C#N)CCC1)C(C)C	ZINC000771079427	581790412	/nfs/dbraw/zinc/79/04/12/581790412.db2.gz	LLAYTZIEMOHGGR-JTQLQIEISA-N	-1	0	288.369	0.797	20	30		CCEDRM
CCc1nn(C)cc1C([O-])=C(C#N)C(=O)NCCCOC	ZINC000771258670	581797474	/nfs/dbraw/zinc/79/74/74/581797474.db2.gz	LUJSQWNMMZAWAN-SNVBAGLBSA-N	-1	0	292.339	0.458	20	30		CCEDRM
Cn1nnnc1CC/N=C/c1cc([N+](=O)[O-])ccc1[O-]	ZINC000771519460	581806123	/nfs/dbraw/zinc/80/61/23/581806123.db2.gz	FMDHSFFCOHFMNN-KPKJPENVSA-N	-1	0	276.256	0.486	20	30		CCEDRM
C#CCCCC(=O)[N-]S(=O)(=O)[C@@H]1CCCOC1	ZINC000759633964	581812841	/nfs/dbraw/zinc/81/28/41/581812841.db2.gz	XSGVFKVZTUJCNB-SNVBAGLBSA-N	-1	0	259.327	0.415	20	30		CCEDRM
C#CCOc1ccc(C(=O)[N-]S(=O)(=O)CCOC)cc1	ZINC000744124773	581832367	/nfs/dbraw/zinc/83/23/67/581832367.db2.gz	FOAZEYQGAKVBSA-UHFFFAOYSA-N	-1	0	297.332	0.405	20	30		CCEDRM
CC1=CC(=O)C(=C([O-])C=Cc2ccn(C)n2)C(=O)O1	ZINC000773145194	581878614	/nfs/dbraw/zinc/87/86/14/581878614.db2.gz	QBFKIDHLEGKMGM-AAOUONPWSA-N	-1	0	260.249	0.648	20	30		CCEDRM
CCCN(CC(=O)[O-])CC(=O)N(CC)CCC#N	ZINC000737013241	581885696	/nfs/dbraw/zinc/88/56/96/581885696.db2.gz	LMKBYOAHYAZXAS-UHFFFAOYSA-N	-1	0	255.318	0.545	20	30		CCEDRM
C=CCS(=O)(=O)[N-]C(=O)Cc1ccc(OC)c(OC)c1	ZINC000772723147	581886718	/nfs/dbraw/zinc/88/67/18/581886718.db2.gz	GJDFIHKFHVUVQX-UHFFFAOYSA-N	-1	0	299.348	0.878	20	30		CCEDRM
CCN(CC(=O)N(CC#N)CC(=O)[O-])C(=O)OC(C)(C)C	ZINC000737068412	581895474	/nfs/dbraw/zinc/89/54/74/581895474.db2.gz	QHONBYUKTSCNTQ-UHFFFAOYSA-N	-1	0	299.327	0.680	20	30		CCEDRM
CCN(CCC#N)C(=O)COC(=O)[C@@H](NC(=O)[O-])C(C)C	ZINC000737094413	581902336	/nfs/dbraw/zinc/90/23/36/581902336.db2.gz	QJJWPBDTTRJSNJ-NSHDSACASA-N	-1	0	299.327	0.584	20	30		CCEDRM
C=CCCC(=O)N1CCSC[C@H]1c1nnn[n-]1	ZINC000773161767	581911831	/nfs/dbraw/zinc/91/18/31/581911831.db2.gz	MCIHMEJKTSFTFZ-QMMMGPOBSA-N	-1	0	253.331	0.782	20	30		CCEDRM
CNC(=S)NN=Cc1cccc(O[C@@H](C)C(=O)[O-])c1	ZINC000746677425	581922243	/nfs/dbraw/zinc/92/22/43/581922243.db2.gz	VZDVCHYKYSNKHA-QMMMGPOBSA-N	-1	0	281.337	0.966	20	30		CCEDRM
CN1CC[C@H](C(=O)Nc2cc(C#N)ccc2[O-])C1=O	ZINC000773499533	581930057	/nfs/dbraw/zinc/93/00/57/581930057.db2.gz	ALIVMYUTGFVMAO-SECBINFHSA-N	-1	0	259.265	0.681	20	30		CCEDRM
C#CCOCCC(=O)C(C#N)=C([O-])c1nccn1C	ZINC000756581534	581933135	/nfs/dbraw/zinc/93/31/35/581933135.db2.gz	VCWOGOAJJCUZNH-JTQLQIEISA-N	-1	0	259.265	0.352	20	30		CCEDRM
CCOCCO[N-]C(=O)C(=O)Nc1ccc(F)cc1C#N	ZINC000773616710	581936566	/nfs/dbraw/zinc/93/65/66/581936566.db2.gz	BHZOOQWWZOJJCE-UHFFFAOYSA-N	-1	0	295.270	0.720	20	30		CCEDRM
C[C@H](CC#N)N(C)CCN1CCN(C(=O)[O-])CC1	ZINC000738892874	581941613	/nfs/dbraw/zinc/94/16/13/581941613.db2.gz	KVHREGHNWSUUNI-LLVKDONJSA-N	-1	0	254.334	0.516	20	30		CCEDRM
Cn1cc(C(=O)Nc2cc(C#N)ccc2[O-])c(=O)[nH]c1=O	ZINC000748411029	581974071	/nfs/dbraw/zinc/97/40/71/581974071.db2.gz	UFYXLFQGFGQQCU-UHFFFAOYSA-N	-1	0	286.247	0.315	20	30		CCEDRM
C=CCS(=O)(=O)[N-]C(=O)c1cc(OC)cc(OC)c1	ZINC000763033736	581979226	/nfs/dbraw/zinc/97/92/26/581979226.db2.gz	LGNSDRVUGNLVJR-UHFFFAOYSA-N	-1	0	285.321	0.949	20	30		CCEDRM
COC(=O)CN(CC(=O)[O-])Cc1cc(C#N)ccc1F	ZINC000737614881	581991956	/nfs/dbraw/zinc/99/19/56/581991956.db2.gz	GSJCJBZKZQEHJO-UHFFFAOYSA-N	-1	0	280.255	0.757	20	30		CCEDRM
O=C([O-])c1ccc(C=NNC(=S)NC[C@H]2CCCO2)[nH]1	ZINC000749812408	582023280	/nfs/dbraw/zinc/02/32/80/582023280.db2.gz	NSDLSZNSJYVPBV-SECBINFHSA-N	-1	0	296.352	0.690	20	30		CCEDRM
C[C@H](CO)NN=Cc1ccc(OCC(=O)[O-])cc1	ZINC000749814483	582023282	/nfs/dbraw/zinc/02/32/82/582023282.db2.gz	PSMGVSCUZYUJAK-SECBINFHSA-N	-1	0	252.270	0.454	20	30		CCEDRM
C[C@H](CO)NN=Cc1ccc(OCC(=O)[O-])c([N+](=O)[O-])c1	ZINC000749818430	582023714	/nfs/dbraw/zinc/02/37/14/582023714.db2.gz	WUKFXXYHMIMUFS-MRVPVSSYSA-N	-1	0	297.267	0.363	20	30		CCEDRM
COc1ccsc1C(=O)N(CC#N)CC(=O)[O-]	ZINC000738143548	582024415	/nfs/dbraw/zinc/02/44/15/582024415.db2.gz	PZHJLQAXUORYHV-UHFFFAOYSA-N	-1	0	254.267	0.807	20	30		CCEDRM
Cc1cc(-n2cncn2)ccc1C(=O)N(CC#N)CC(=O)[O-]	ZINC000738314819	582036436	/nfs/dbraw/zinc/03/64/36/582036436.db2.gz	RUWDEFYMWXXLBD-UHFFFAOYSA-N	-1	0	299.290	0.626	20	30		CCEDRM
N#C[C@H](NC(=O)C1CCN(C(=O)[O-])CC1)C1CC1	ZINC000738421476	582047655	/nfs/dbraw/zinc/04/76/55/582047655.db2.gz	DVSMSXQGZXXIFS-JTQLQIEISA-N	-1	0	251.286	0.795	20	30		CCEDRM
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CCOCCO[C@@H](C)C(=O)[N-]S(=O)(=O)CCCC#N	ZINC000776115840	582052242	/nfs/dbraw/zinc/05/22/42/582052242.db2.gz	UHURETIAOGOSDG-JTQLQIEISA-N	-1	0	292.357	0.178	20	30		CCEDRM
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C#CCCNC(=O)N1CC[C@@H](NC(=O)[O-])[C@H](C)C1	ZINC000738457443	582052586	/nfs/dbraw/zinc/05/25/86/582052586.db2.gz	NXBJVUQVLRQMFB-NXEZZACHSA-N	-1	0	253.302	0.697	20	30		CCEDRM
CO[C@@H](C)CC(=O)[N-]S(=O)(=O)CC(C)(C)C#N	ZINC000776142079	582054113	/nfs/dbraw/zinc/05/41/13/582054113.db2.gz	HQWAGMHMPNIFMZ-QMMMGPOBSA-N	-1	0	262.331	0.407	20	30		CCEDRM
C=C(Br)CNC(=O)N[C@H]1CCN(C(=O)[O-])C1	ZINC000738470575	582054276	/nfs/dbraw/zinc/05/42/76/582054276.db2.gz	KMKSIUQJJLAQTD-ZETCQYMHSA-N	-1	0	292.133	0.947	20	30		CCEDRM
C=C(Br)COC(=O)COCCNC(=O)[O-]	ZINC000738470592	582054470	/nfs/dbraw/zinc/05/44/70/582054470.db2.gz	LDSKEYOIBNBRJX-UHFFFAOYSA-N	-1	0	282.090	0.722	20	30		CCEDRM
C=CCOCC(=O)N[C@H]1CCC[C@H]1CNC(=O)[O-]	ZINC000738492311	582055833	/nfs/dbraw/zinc/05/58/33/582055833.db2.gz	UDFYOOQXHWHIMS-UWVGGRQHSA-N	-1	0	256.302	0.742	20	30		CCEDRM
C=CCNC(=O)COC(=O)[C@@H]1CCC[C@@H]1NC(=O)[O-]	ZINC000738496284	582056697	/nfs/dbraw/zinc/05/66/97/582056697.db2.gz	VVCUOYVMXIHLGI-BDAKNGLRSA-N	-1	0	270.285	0.268	20	30		CCEDRM
O=C([O-])Cn1cc(/C=C/C(=O)c2cscn2)nn1	ZINC000776193131	582057290	/nfs/dbraw/zinc/05/72/90/582057290.db2.gz	WKMSZMWNGKLZBN-OWOJBTEDSA-N	-1	0	264.266	0.715	20	30		CCEDRM
C[C@H](C#N)C(=O)N1CCC[C@@H](CN(C)C(=O)[O-])C1	ZINC000738596004	582064439	/nfs/dbraw/zinc/06/44/39/582064439.db2.gz	DNOAGOZNZJQAMB-ZJUUUORDSA-N	-1	0	253.302	0.994	20	30		CCEDRM
C=CCOc1cccnc1C(=O)[N-]N1CC(=O)N(C)C1=O	ZINC000776247791	582065010	/nfs/dbraw/zinc/06/50/10/582065010.db2.gz	ZQOXBVYCAFXUSV-UHFFFAOYSA-N	-1	0	290.279	0.185	20	30		CCEDRM
Cc1cccc(-n2cc(C(=O)N(CC#N)CC(=O)[O-])nn2)c1	ZINC000738680988	582069862	/nfs/dbraw/zinc/06/98/62/582069862.db2.gz	MJXFWKAIGKXPST-UHFFFAOYSA-N	-1	0	299.290	0.626	20	30		CCEDRM
C#C[C@H](NC(=O)c1ccc(C(=O)[O-])nc1)[C@@H]1CCCO1	ZINC000776403915	582071979	/nfs/dbraw/zinc/07/19/79/582071979.db2.gz	HFQDCNSWWZRJLA-JQWIXIFHSA-N	-1	0	274.276	0.690	20	30		CCEDRM
CC(C)NC(=O)[C@@H](C#N)C(=O)[C@H]1CCN(C(=O)[O-])C1	ZINC000738854042	582083240	/nfs/dbraw/zinc/08/32/40/582083240.db2.gz	LSIDBTUIHPLTNI-IUCAKERBSA-N	-1	0	267.285	0.220	20	30		CCEDRM
C=CCC[C@@H](NS(=O)(=O)[C@H]1CCOC1)C(=O)[O-]	ZINC000776597248	582083652	/nfs/dbraw/zinc/08/36/52/582083652.db2.gz	NYESSZVBNBCXEC-DTWKUNHWSA-N	-1	0	263.315	0.114	20	30		CCEDRM
C=CCN(C(=O)c1cnc([O-])n(C)c1=O)C(C)C	ZINC000751578691	582086431	/nfs/dbraw/zinc/08/64/31/582086431.db2.gz	KIMNVAOZPNUTNT-UHFFFAOYSA-N	-1	0	251.286	0.523	20	30		CCEDRM
Cc1nnc2ccc(C(=O)N(CC#N)CC(=O)[O-])cn12	ZINC000738932343	582090298	/nfs/dbraw/zinc/09/02/98/582090298.db2.gz	TXOHTLXOTNAEHZ-UHFFFAOYSA-N	-1	0	273.252	0.088	20	30		CCEDRM
Cc1oc(CN(C)CC(=O)NCC#N)cc1C(=O)[O-]	ZINC000738966426	582094507	/nfs/dbraw/zinc/09/45/07/582094507.db2.gz	DBYAMZRBQFMKBC-UHFFFAOYSA-N	-1	0	265.269	0.358	20	30		CCEDRM
C[C@H](Oc1ccccc1C#N)C(=O)NC1CN(C(=O)[O-])C1	ZINC000739052816	582099563	/nfs/dbraw/zinc/09/95/63/582099563.db2.gz	FJEYZAUCNGSXME-VIFPVBQESA-N	-1	0	289.291	0.804	20	30		CCEDRM
N#CCCCS(=O)(=O)N1CCC2(C[C@@H]2C(=O)[O-])CC1	ZINC000739073276	582100836	/nfs/dbraw/zinc/10/08/36/582100836.db2.gz	QXXINMPMFKXSPC-SNVBAGLBSA-N	-1	0	286.353	0.807	20	30		CCEDRM
N#CCN(C1CC1)S(=O)(=O)c1ccc(C(=O)[O-])o1	ZINC000739075306	582101247	/nfs/dbraw/zinc/10/12/47/582101247.db2.gz	CIXGHJHTKVFAQE-UHFFFAOYSA-N	-1	0	270.266	0.654	20	30		CCEDRM
N#CCN(CC(=O)[O-])C(=O)[C@@H]1CC(c2ccccc2)=NO1	ZINC000739077893	582101361	/nfs/dbraw/zinc/10/13/61/582101361.db2.gz	WEBVMOGQCSMXQK-LBPRGKRZSA-N	-1	0	287.275	0.616	20	30		CCEDRM
N#CCN(CC(=O)[O-])S(=O)(=O)c1cc(F)ccc1F	ZINC000739087064	582101824	/nfs/dbraw/zinc/10/18/24/582101824.db2.gz	UDAIAWKRHXCZHV-UHFFFAOYSA-N	-1	0	290.247	0.564	20	30		CCEDRM
N#CCN(CC(=O)[O-])S(=O)(=O)c1cccc(F)c1F	ZINC000739085120	582101868	/nfs/dbraw/zinc/10/18/68/582101868.db2.gz	CIUUIKULSBKVAI-UHFFFAOYSA-N	-1	0	290.247	0.564	20	30		CCEDRM
N#CCN(CC(=O)[O-])C(=O)c1ccc([N+](=O)[O-])cc1F	ZINC000739085779	582101901	/nfs/dbraw/zinc/10/19/01/582101901.db2.gz	CQOCRHDKDOXZCG-UHFFFAOYSA-N	-1	0	281.199	0.784	20	30		CCEDRM
N#CCN(CC(=O)[O-])C(=O)c1ccnc(-n2ccnc2)c1	ZINC000739088285	582102075	/nfs/dbraw/zinc/10/20/75/582102075.db2.gz	UIVFVFUHUPSHRT-UHFFFAOYSA-N	-1	0	285.263	0.318	20	30		CCEDRM
C=C(C)CS(=O)(=O)N[C@@H]1CCOC[C@H]1CC(=O)[O-]	ZINC000899949676	613354278	/nfs/dbraw/zinc/35/42/78/613354278.db2.gz	KBQJWRKTWAJCNH-NXEZZACHSA-N	-1	0	277.342	0.362	20	30		CCEDRM
CN(C(=O)CSCC(=O)[O-])[C@H]1CCC[C@H]1C#N	ZINC000902339805	615819209	/nfs/dbraw/zinc/81/92/09/615819209.db2.gz	XBFGTZWXDCJFLO-IUCAKERBSA-N	-1	0	256.327	0.955	20	30		CCEDRM
CC[S@](C)(=O)=NS(=O)(=O)[N-]CC1(C#N)CC1	ZINC000867221620	616020201	/nfs/dbraw/zinc/02/02/01/616020201.db2.gz	BURMCTRHJFPXBL-HNNXBMFYSA-N	-1	0	265.360	0.242	20	30		CCEDRM
COCCC1(C(=O)[N-]S(=O)(=O)CCC#N)CCC1	ZINC000821584347	616839853	/nfs/dbraw/zinc/83/98/53/616839853.db2.gz	ZIBXUBIPXGTUBJ-UHFFFAOYSA-N	-1	0	274.342	0.553	20	30		CCEDRM
COCCN(CC(F)F)C(=O)[C@@](C)(C#N)CC(=O)[O-]	ZINC000820730220	616989424	/nfs/dbraw/zinc/98/94/24/616989424.db2.gz	OJTPYMHPHKPTHI-LLVKDONJSA-N	-1	0	278.255	0.731	20	30		CCEDRM
N#C[C@H]1CN(C(=O)NCc2ccc(C(=O)[O-])cc2)CCO1	ZINC000093937392	597299222	/nfs/dbraw/zinc/29/92/22/597299222.db2.gz	TVGLTMBRTYEWCX-LBPRGKRZSA-N	-1	0	289.291	0.819	20	30		CCEDRM
C#CCOCCNC(=O)NCCCCCC(=O)[O-]	ZINC000840988657	612986978	/nfs/dbraw/zinc/98/69/78/612986978.db2.gz	AXINGMZYWVYHAG-UHFFFAOYSA-N	-1	0	256.302	0.580	20	30		CCEDRM
C[C@@H](C(=O)[O-])N(C)CC(=O)N[C@](C)(C#N)C1CC1	ZINC000817772226	597472385	/nfs/dbraw/zinc/47/23/85/597472385.db2.gz	MOVMAKQYDJDCQX-QPUJVOFHSA-N	-1	0	253.302	0.200	20	30		CCEDRM
Cn1nccc1COC(=O)[C@](C)(C#N)CC(=O)[O-]	ZINC000821315223	597603214	/nfs/dbraw/zinc/60/32/14/597603214.db2.gz	KMIGXZOFQRUCKO-NSHDSACASA-N	-1	0	251.242	0.468	20	30		CCEDRM
C[C@](C#N)(CC(=O)[O-])C(=O)OCCn1cccn1	ZINC000819873823	597611541	/nfs/dbraw/zinc/61/15/41/597611541.db2.gz	DLZCTINWCFGFDN-LLVKDONJSA-N	-1	0	251.242	0.431	20	30		CCEDRM
C[C@](C#N)(CC(=O)[O-])C(=O)OCc1nnc(C2CC2)o1	ZINC000819874101	597623549	/nfs/dbraw/zinc/62/35/49/597623549.db2.gz	HGYOYBHERJFKKX-GFCCVEGCSA-N	-1	0	279.252	0.995	20	30		CCEDRM
Cn1ncc2c1CCC[C@H]2NC(=O)[C@@](C)(C#N)CC(=O)[O-]	ZINC000821315353	597634099	/nfs/dbraw/zinc/63/40/99/597634099.db2.gz	PFBUHYPBRJFYIH-QMTHXVAHSA-N	-1	0	290.323	0.918	20	30		CCEDRM
C[C@@H](CNC(=O)[C@](C)(C#N)CC(=O)[O-])Cn1cccn1	ZINC000820095910	597635030	/nfs/dbraw/zinc/63/50/30/597635030.db2.gz	WKMBFAPWZNKYHD-GWCFXTLKSA-N	-1	0	278.312	0.640	20	30		CCEDRM
Cc1cc(CNC(=O)[C@](C)(C#N)CC(=O)[O-])[nH]n1	ZINC000820976872	597647688	/nfs/dbraw/zinc/64/76/88/597647688.db2.gz	UPHGMYSKLHGKBZ-NSHDSACASA-N	-1	0	250.258	0.339	20	30		CCEDRM
C[C@@](C#N)(CC(=O)[O-])C(=O)NCc1csc(=O)[nH]1	ZINC000819848987	597657147	/nfs/dbraw/zinc/65/71/47/597657147.db2.gz	WJPTWLUYMUZCTR-JTQLQIEISA-N	-1	0	269.282	0.469	20	30		CCEDRM
C[C@@](C#N)(CC(=O)[O-])C(=O)N[C@H](CO)CC1CC1	ZINC000819823030	597670995	/nfs/dbraw/zinc/67/09/95/597670995.db2.gz	RGTVZXBPQMRPLK-CABZTGNLSA-N	-1	0	254.286	0.268	20	30		CCEDRM
C[C@@](C#N)(CC(=O)[O-])C(=O)N1CCC2(COC(=O)N2)CC1	ZINC000819810922	597814403	/nfs/dbraw/zinc/81/44/03/597814403.db2.gz	HUOYPKSALNYKQX-LBPRGKRZSA-N	-1	0	295.295	0.092	20	30		CCEDRM
N#CCN1CCN(C(=O)c2ccc(C(=O)[O-])cc2)CC1	ZINC000821324360	598157214	/nfs/dbraw/zinc/15/72/14/598157214.db2.gz	BXHWTKPJBHAPBI-UHFFFAOYSA-N	-1	0	273.292	0.666	20	30		CCEDRM
C[C@H](C#N)CNC(=O)C(=O)Nc1ccc(C(=O)[O-])cc1F	ZINC000819873316	598170851	/nfs/dbraw/zinc/17/08/51/598170851.db2.gz	ADZPAWHTOKYASX-SSDOTTSWSA-N	-1	0	293.254	0.738	20	30		CCEDRM
O=C([O-])c1cccc(C=NNC2CCS(=O)(=O)CC2)c1	ZINC000814894421	598201673	/nfs/dbraw/zinc/20/16/73/598201673.db2.gz	KXCFAHFIGNUQBV-UHFFFAOYSA-N	-1	0	296.348	0.886	20	30		CCEDRM
C[C@](C#N)(CC(=O)[O-])C(=O)Nc1nc(CC(N)=O)cs1	ZINC000819866121	598223228	/nfs/dbraw/zinc/22/32/28/598223228.db2.gz	RYUXJWLAHZHLLP-LLVKDONJSA-N	-1	0	296.308	0.114	20	30		CCEDRM
C[C@@](C#N)(CC(=O)[O-])C(=O)NC[C@H]1CCCOC1	ZINC000819833527	598224575	/nfs/dbraw/zinc/22/45/75/598224575.db2.gz	HPNJSSHEZCAERZ-SKDRFNHKSA-N	-1	0	254.286	0.534	20	30		CCEDRM
C[C@](C#N)(CC(=O)[O-])C(=O)NCCc1ccncc1	ZINC000819842462	598224650	/nfs/dbraw/zinc/22/46/50/598224650.db2.gz	QKJZDNXGSWJZRT-CYBMUJFWSA-N	-1	0	261.281	0.745	20	30		CCEDRM
C[C@@](C#N)(CC(=O)[O-])C(=O)NC[C@@]1(C)CCOC1	ZINC000820214962	598227461	/nfs/dbraw/zinc/22/74/61/598227461.db2.gz	MUNBZZUDIMIXST-NEPJUHHUSA-N	-1	0	254.286	0.534	20	30		CCEDRM
C#CCN(CC#CC)CC(=O)N[C@@H](C(=O)[O-])[C@@H](C)CC	ZINC000825608509	600836849	/nfs/dbraw/zinc/83/68/49/600836849.db2.gz	AZUZBHKQRRMUOF-GXTWGEPZSA-N	-1	0	278.352	0.560	20	30		CCEDRM
C#CCO[C@H](C)C(=O)NCCc1nc(C(=O)[O-])cs1	ZINC000909796615	613001478	/nfs/dbraw/zinc/00/14/78/613001478.db2.gz	PHABMMSEZNZLDA-MRVPVSSYSA-N	-1	0	282.321	0.538	20	30		CCEDRM
N#C[C@H]1CN(C(=O)c2cccc(C(=O)[O-])c2)CCO1	ZINC000093937600	599953155	/nfs/dbraw/zinc/95/31/55/599953155.db2.gz	BOZWHMPTRRPVBN-NSHDSACASA-N	-1	0	260.249	0.749	20	30		CCEDRM
CN(CC(=O)N(CCC#N)CCC#N)C(C)(C)C(=O)[O-]	ZINC000061172321	600133977	/nfs/dbraw/zinc/13/39/77/600133977.db2.gz	XDSOSXHDPIUNOV-UHFFFAOYSA-N	-1	0	280.328	0.437	20	30		CCEDRM
C#CCNS(=O)(=O)c1cc(Cl)cc(C(=O)[O-])c1	ZINC000825625500	600693968	/nfs/dbraw/zinc/69/39/68/600693968.db2.gz	GUVDXQGZFCCUCB-UHFFFAOYSA-N	-1	0	273.697	0.950	20	30		CCEDRM
N#Cc1ccccc1SCC(=O)NCC(=O)[O-]	ZINC000821340654	600728688	/nfs/dbraw/zinc/72/86/88/600728688.db2.gz	ULTGAZGASUBLQZ-UHFFFAOYSA-N	-1	0	250.279	0.851	20	30		CCEDRM
C#CCCNS(=O)(=O)c1ccc(C)c(C(=O)[O-])c1	ZINC000070246295	600782728	/nfs/dbraw/zinc/78/27/28/600782728.db2.gz	LTTBRHCUFXRCQF-UHFFFAOYSA-N	-1	0	267.306	0.995	20	30		CCEDRM
C=CC[C@@H](C)NS(=O)(=O)c1cc(C(=O)[O-])n(C)c1	ZINC000162559414	600783397	/nfs/dbraw/zinc/78/33/97/600783397.db2.gz	TWFPKVGNFFREEI-MRVPVSSYSA-N	-1	0	272.326	0.966	20	30		CCEDRM
C[C@@H]1CC[C@H](CCC(=O)N(CC#N)CC(=O)[O-])O1	ZINC000828221272	600787639	/nfs/dbraw/zinc/78/76/39/600787639.db2.gz	LJLWMMOXEPBRHU-NXEZZACHSA-N	-1	0	254.286	0.771	20	30		CCEDRM
C#CCN1CCN(C(=O)[C@H]2CCC[C@@H](C(=O)[O-])C2)CC1	ZINC000312264612	600948941	/nfs/dbraw/zinc/94/89/41/600948941.db2.gz	HOYKRJAUCXJRSM-QWHCGFSZSA-N	-1	0	278.352	0.655	20	30		CCEDRM
N#CCNC(=O)CN1C[C@H](CC(=O)[O-])c2ccccc21	ZINC000148091329	600960829	/nfs/dbraw/zinc/96/08/29/600960829.db2.gz	JEFOPHHWRKFKET-JTQLQIEISA-N	-1	0	273.292	0.705	20	30		CCEDRM
C[C@H](C#N)C(=O)N(CCC(=O)[O-])C1CCOCC1	ZINC000825966641	600977882	/nfs/dbraw/zinc/97/78/82/600977882.db2.gz	ITROICJAQFYJOL-SECBINFHSA-N	-1	0	254.286	0.628	20	30		CCEDRM
C[C@H](C#N)CNS(=O)(=O)c1ccc(C(=O)[O-])o1	ZINC000054156479	600989440	/nfs/dbraw/zinc/98/94/40/600989440.db2.gz	LJPSUGIQJMQKPO-ZCFIWIBFSA-N	-1	0	258.255	0.416	20	30		CCEDRM
N#C[C@@H]1COCCN1CC(=O)Nc1ccc(C(=O)[O-])cc1	ZINC000833061345	601042061	/nfs/dbraw/zinc/04/20/61/601042061.db2.gz	AIPQJKPPGFLQKT-GFCCVEGCSA-N	-1	0	289.291	0.548	20	30		CCEDRM
N#C[C@H]1COCCN1CC(=O)Nc1cccc(C(=O)[O-])c1	ZINC000833063550	601042100	/nfs/dbraw/zinc/04/21/00/601042100.db2.gz	YUFMODYAXHSBDO-LBPRGKRZSA-N	-1	0	289.291	0.548	20	30		CCEDRM
N#CCN(CC(=O)[O-])C[C@@H](O)c1ccccc1F	ZINC000833067031	601226919	/nfs/dbraw/zinc/22/69/19/601226919.db2.gz	NYTQXEWCSZMHNW-LLVKDONJSA-N	-1	0	252.245	0.769	20	30		CCEDRM
N#C[C@H](C(=O)NC1CC1)C(=O)[C@@H]1CCC[C@@H](C(=O)[O-])C1	ZINC000833062415	601236927	/nfs/dbraw/zinc/23/69/27/601236927.db2.gz	BIGFCRPMSPBTPB-KKZNHRDASA-N	-1	0	278.308	0.865	20	30		CCEDRM
N#CCCN(CC1CC1)C(=O)Cn1cc(C(=O)[O-])nn1	ZINC000833065432	601282612	/nfs/dbraw/zinc/28/26/12/601282612.db2.gz	CPQZRYXHMPUGLZ-UHFFFAOYSA-N	-1	0	277.284	0.129	20	30		CCEDRM
N#Cc1cccc([C@H](C(=O)[O-])N2CCCNC(=O)C2)c1	ZINC000833073994	601314791	/nfs/dbraw/zinc/31/47/91/601314791.db2.gz	LSLIUQVTPQWFGM-CYBMUJFWSA-N	-1	0	273.292	0.506	20	30		CCEDRM
N#CCCCS(=O)(=O)N1CC[C@](F)(C(=O)[O-])C1	ZINC000833065818	601392031	/nfs/dbraw/zinc/39/20/31/601392031.db2.gz	MUFOQIQOPJHEBK-SECBINFHSA-N	-1	0	264.278	0.119	20	30		CCEDRM
Cn1ccnc(NN=Cc2ccc(C(=O)[O-])o2)c1=O	ZINC000833059412	601396645	/nfs/dbraw/zinc/39/66/45/601396645.db2.gz	SQCSKRYALVUDGU-UHFFFAOYSA-N	-1	0	262.225	0.518	20	30		CCEDRM
C[C@@H]1CN(S(=O)(=O)c2ccc(C#N)nc2)C[C@H]1C(=O)[O-]	ZINC000235357930	601589055	/nfs/dbraw/zinc/58/90/55/601589055.db2.gz	SRGYGWCEDOELSI-LDYMZIIASA-N	-1	0	295.320	0.294	20	30		CCEDRM
N#Cc1csc(C(=O)OCC(=O)NCCC(=O)[O-])c1	ZINC000833078529	601683748	/nfs/dbraw/zinc/68/37/48/601683748.db2.gz	KXGIEBKJOSJBOG-UHFFFAOYSA-N	-1	0	282.277	0.367	20	30		CCEDRM
COC[C@](C)(NC(=O)Cc1ccc(C#N)cc1)C(=O)[O-]	ZINC000704665828	601697159	/nfs/dbraw/zinc/69/71/59/601697159.db2.gz	QYFPSRWFQYZJED-AWEZNQCLSA-N	-1	0	276.292	0.707	20	30		CCEDRM
N#Cc1ccsc1C(=O)N1CCO[C@@H](CC(=O)[O-])C1	ZINC000833076473	601740954	/nfs/dbraw/zinc/74/09/54/601740954.db2.gz	GZAXCXWZMKKECN-VIFPVBQESA-N	-1	0	280.305	0.935	20	30		CCEDRM
CS(=O)(=O)[N-]c1ccc(C(=O)OCC2(C#N)CC2)cn1	ZINC000859924751	617178241	/nfs/dbraw/zinc/17/82/41/617178241.db2.gz	XPIFNZSJADEWFE-UHFFFAOYSA-N	-1	0	295.320	0.914	20	30		CCEDRM
N#CCN(CC(=O)[O-])C(=O)CSc1ccc(O)cc1	ZINC000833065703	601823205	/nfs/dbraw/zinc/82/32/05/601823205.db2.gz	GCOOXORSUBFMCO-UHFFFAOYSA-N	-1	0	280.305	0.921	20	30		CCEDRM
N#Cc1ccnc(N2CC[C@](F)(C(=O)[O-])C2)c1[N+](=O)[O-]	ZINC000833076297	602130530	/nfs/dbraw/zinc/13/05/30/602130530.db2.gz	BFLTYYLCGWVTDZ-LLVKDONJSA-N	-1	0	280.215	0.864	20	30		CCEDRM
C#CCSCCNC(=O)NCC(C)(C)NC(=O)[O-]	ZINC000823466512	613016895	/nfs/dbraw/zinc/01/68/95/613016895.db2.gz	CGWVFVJUXBRCFB-UHFFFAOYSA-N	-1	0	273.358	0.698	20	30		CCEDRM
N#CCNS(=O)(=O)c1ccc(Cl)c(C(=O)[O-])c1	ZINC000013252286	602153111	/nfs/dbraw/zinc/15/31/11/602153111.db2.gz	PCBCORXLHQBTGC-UHFFFAOYSA-N	-1	0	274.685	0.840	20	30		CCEDRM
COc1cc(C=NNCC(=O)[O-])cc2c1OCCO2	ZINC000814959259	617179155	/nfs/dbraw/zinc/17/91/55/617179155.db2.gz	XDUVHRAIXZPJNF-UHFFFAOYSA-N	-1	0	266.253	0.475	20	30		CCEDRM
C=C(C)COCCNC(=O)N1C[C@H](C(=O)[O-])[C@H](C)C1	ZINC000164129340	602346252	/nfs/dbraw/zinc/34/62/52/602346252.db2.gz	CVEOZQWQDWQPCF-MNOVXSKESA-N	-1	0	270.329	0.941	20	30		CCEDRM
O=C([O-])NCCCNC(=O)NCC#Cc1ccccc1	ZINC000740654022	602393194	/nfs/dbraw/zinc/39/31/94/602393194.db2.gz	ZKEPEZTZXBAWAR-UHFFFAOYSA-N	-1	0	275.308	0.995	20	30		CCEDRM
C[C@@H](CC(=O)NCCNc1ccc(C#N)cn1)NC(=O)[O-]	ZINC000824646637	603309502	/nfs/dbraw/zinc/30/95/02/603309502.db2.gz	MHDWNZVRCDGUQV-VIFPVBQESA-N	-1	0	291.311	0.528	20	30		CCEDRM
C[C@@H](CNC(=O)[O-])N(C)C(=O)Nc1ccn(CCC#N)n1	ZINC000824966353	603334529	/nfs/dbraw/zinc/33/45/29/603334529.db2.gz	FDVJUNDPCYPMFV-VIFPVBQESA-N	-1	0	294.315	0.917	20	30		CCEDRM
N#CCCn1ccc(NC(=O)N[C@H]2CCN(C(=O)[O-])C2)n1	ZINC000831097778	603335517	/nfs/dbraw/zinc/33/55/17/603335517.db2.gz	TVPPLERTIQEZRJ-VIFPVBQESA-N	-1	0	292.299	0.671	20	30		CCEDRM
N#Cc1cccc(CC(=O)N[C@H]2CCN(C(=O)[O-])C2)c1	ZINC000831146193	603446724	/nfs/dbraw/zinc/44/67/24/603446724.db2.gz	KOWLYPGOKCHEOV-LBPRGKRZSA-N	-1	0	273.292	0.969	20	30		CCEDRM
O=C([O-])Nc1ccc(C=NN[C@H]2CCS(=O)(=O)C2)cn1	ZINC000832840004	603485236	/nfs/dbraw/zinc/48/52/36/603485236.db2.gz	CCJQUVHTQOVHGP-VIFPVBQESA-N	-1	0	298.324	0.282	20	30		CCEDRM
N#C[C@H]1CN(C(=O)[O-])CCN1C(=O)Cc1cccnc1	ZINC000831082329	603588903	/nfs/dbraw/zinc/58/89/03/603588903.db2.gz	LBPILGFYFTZMIJ-NSHDSACASA-N	-1	0	274.280	0.338	20	30		CCEDRM
N#CCCn1ccc(NC(=O)NC2CN(C(=O)[O-])C2)n1	ZINC000831097230	603589039	/nfs/dbraw/zinc/58/90/39/603589039.db2.gz	GANNUNCVPOAXFI-UHFFFAOYSA-N	-1	0	278.272	0.280	20	30		CCEDRM
Cc1ccc(C(=O)N2CCN(C(=O)[O-])C[C@H]2C#N)c(=O)[nH]1	ZINC000830193224	603594153	/nfs/dbraw/zinc/59/41/53/603594153.db2.gz	TWPJIBOZGYMAES-SECBINFHSA-N	-1	0	290.279	0.424	20	30		CCEDRM
C[C@H](CC#N)NC(=O)[C@H]1[C@@H](C)OC(C)(C)N1C(=O)[O-]	ZINC000824545042	603708410	/nfs/dbraw/zinc/70/84/10/603708410.db2.gz	UKXZEFYZJVVUDC-IWSPIJDZSA-N	-1	0	269.301	0.908	20	30		CCEDRM
C[C@H](OC(=O)C(C)(C)CNC(=O)[O-])C(=O)N(C)CCC#N	ZINC000825535490	603751588	/nfs/dbraw/zinc/75/15/88/603751588.db2.gz	MGZMZRFMKGTTSC-VIFPVBQESA-N	-1	0	299.327	0.584	20	30		CCEDRM
N#CCN(C(=O)[C@@H]1CC[C@@H](NC(=O)[O-])C1)C1CC1	ZINC000831097248	603957664	/nfs/dbraw/zinc/95/76/64/603957664.db2.gz	GGVVVRIUHOUYFK-RKDXNWHRSA-N	-1	0	251.286	0.937	20	30		CCEDRM
N#C[C@H]1CCC[C@@H]1NC(=O)COCCNC(=O)[O-]	ZINC000831077137	603959874	/nfs/dbraw/zinc/95/98/74/603959874.db2.gz	WWEIZXUUPPIGPC-BDAKNGLRSA-N	-1	0	255.274	0.079	20	30		CCEDRM
N#C[C@@H]1CN(C(=O)[O-])CCN1C(=O)c1ccc[nH]c1=O	ZINC000831091524	604068341	/nfs/dbraw/zinc/06/83/41/604068341.db2.gz	GYIIPWCKUYZYME-MRVPVSSYSA-N	-1	0	276.252	0.115	20	30		CCEDRM
C[C@H](C#N)C(=O)N1CCC(OCCCNC(=O)[O-])CC1	ZINC000823646525	604076741	/nfs/dbraw/zinc/07/67/41/604076741.db2.gz	DADNZXNZYLVZAK-SNVBAGLBSA-N	-1	0	283.328	0.811	20	30		CCEDRM
N#C[C@H]1CN(C(=O)[O-])CCN1C(=O)c1csc(C=O)c1	ZINC000831091589	604153362	/nfs/dbraw/zinc/15/33/62/604153362.db2.gz	IHQRUIZXSYNRCS-VIFPVBQESA-N	-1	0	293.304	0.889	20	30		CCEDRM
Cn1cc(C#N)c(NC(=O)NCCN(C(=O)[O-])C2CC2)n1	ZINC000830985819	604155514	/nfs/dbraw/zinc/15/55/14/604155514.db2.gz	YEBLMWUSQHUWAS-UHFFFAOYSA-N	-1	0	292.299	0.556	20	30		CCEDRM
C[C@H](CN(C)C(=O)[O-])C(=O)NC1CCN(CC#N)CC1	ZINC000824849675	604157497	/nfs/dbraw/zinc/15/74/97/604157497.db2.gz	UJJRETROQRLMQW-SNVBAGLBSA-N	-1	0	282.344	0.336	20	30		CCEDRM
C[C@@]1(C(=O)N2CCN(C(=O)[O-])C[C@H]2C#N)CCCO1	ZINC000825650609	604221264	/nfs/dbraw/zinc/22/12/64/604221264.db2.gz	NJUQCOFVZWROGI-SKDRFNHKSA-N	-1	0	267.285	0.270	20	30		CCEDRM
C[C@@H](CN(C)C(=O)[O-])C(=O)[C@H](C#N)C(=O)NC1CCCC1	ZINC000824825075	604253177	/nfs/dbraw/zinc/25/31/77/604253177.db2.gz	PZOHTFMWEQYWRY-ONGXEEELSA-N	-1	0	295.339	1.000	20	30		CCEDRM
Cc1cncc(/C=C/C(=O)N(CC#N)CC(=O)[O-])c1	ZINC000832986708	604554379	/nfs/dbraw/zinc/55/43/79/604554379.db2.gz	LLZHGSFQYOJMPH-NSCUHMNNSA-N	-1	0	259.265	0.840	20	30		CCEDRM
C[C@H](NC(=O)[O-])[C@@H]1CN(CCCSCC#N)CCO1	ZINC000825350637	604596445	/nfs/dbraw/zinc/59/64/45/604596445.db2.gz	JWZKKINUVNCFIZ-QWRGUYRKSA-N	-1	0	287.385	0.990	20	30		CCEDRM
C#CC[C@@H](NC(=O)C1(CC=C)CCOCC1)C(=O)[O-]	ZINC000910046563	613039494	/nfs/dbraw/zinc/03/94/94/613039494.db2.gz	SFEZVBBXLKXQBF-LLVKDONJSA-N	-1	0	265.309	0.952	20	30		CCEDRM
C[C@H](CC#N)N(C)C(=O)[C@@H]1CN(C(=O)[O-])CCO1	ZINC000824544497	604831866	/nfs/dbraw/zinc/83/18/66/604831866.db2.gz	QWIDKLPMGULZRD-BDAKNGLRSA-N	-1	0	255.274	0.126	20	30		CCEDRM
C#CC[C@@H](NC(=O)[C@H](C)NC(=O)C1CCCC1)C(=O)[O-]	ZINC000910053018	613041079	/nfs/dbraw/zinc/04/10/79/613041079.db2.gz	MQIWFXRPWRZDSD-GXSJLCMTSA-N	-1	0	280.324	0.274	20	30		CCEDRM
C[C@@H]1CC(=O)CC[C@@H]1C(=O)N(CC#N)CC(=O)[O-]	ZINC000833587525	604998663	/nfs/dbraw/zinc/99/86/63/604998663.db2.gz	LFOOPNFJSJPBEC-SCZZXKLOSA-N	-1	0	252.270	0.428	20	30		CCEDRM
C[C@H](C(=O)[O-])n1cccc1C=NNS(C)(=O)=O	ZINC000833408191	605040974	/nfs/dbraw/zinc/04/09/74/605040974.db2.gz	XULMMGLOLNSJRP-SSDOTTSWSA-N	-1	0	259.287	0.017	20	30		CCEDRM
C=C[C@@H](C)NC(=O)NCC1(C(=O)[O-])CCOCC1	ZINC000158859923	605088293	/nfs/dbraw/zinc/08/82/93/605088293.db2.gz	SCWLAAYVPAAWHD-SECBINFHSA-N	-1	0	256.302	0.742	20	30		CCEDRM
CC(C)N(CCC#N)CN1C[C@@H](C(=O)[O-])CC1=O	ZINC000833496791	605171589	/nfs/dbraw/zinc/17/15/89/605171589.db2.gz	PODKYRWSCGHYKP-JTQLQIEISA-N	-1	0	253.302	0.501	20	30		CCEDRM
CC(C)(C#N)CCN1CCNC(=O)[C@H]1CC(=O)[O-]	ZINC000087592875	605189401	/nfs/dbraw/zinc/18/94/01/605189401.db2.gz	LOMWCVWDRDXKMY-SECBINFHSA-N	-1	0	253.302	0.201	20	30		CCEDRM
C=CCOc1ccc(C(=O)N[C@@H](CO)C(=O)[O-])cc1	ZINC000036977378	605279701	/nfs/dbraw/zinc/27/97/01/605279701.db2.gz	QWMFDPDGVYKYHS-NSHDSACASA-N	-1	0	265.265	0.427	20	30		CCEDRM
C[C@@H](C#N)CNC(=O)C[C@@H]1CSCCN1C(=O)[O-]	ZINC000823647785	605318453	/nfs/dbraw/zinc/31/84/53/605318453.db2.gz	NTVDBTZGHLMGQI-DTWKUNHWSA-N	-1	0	271.342	0.748	20	30		CCEDRM
N#CCCCNC(=O)NCCN(C(=O)[O-])C1CC1	ZINC000833965759	605385055	/nfs/dbraw/zinc/38/50/55/605385055.db2.gz	RNROEZJMOWKAMD-UHFFFAOYSA-N	-1	0	254.290	0.732	20	30		CCEDRM
N#Cc1ccc(NCC(=O)N[C@H]2CCN(C(=O)[O-])C2)nc1	ZINC000833975678	605402275	/nfs/dbraw/zinc/40/22/75/605402275.db2.gz	OOXXGCJMKVXZIL-JTQLQIEISA-N	-1	0	289.295	0.234	20	30		CCEDRM
N#Cc1ccc(N2CCCC[C@H]2CNC(=O)[O-])nn1	ZINC000833975300	605417970	/nfs/dbraw/zinc/41/79/70/605417970.db2.gz	MSFXUYRMEITACE-JTQLQIEISA-N	-1	0	261.285	0.975	20	30		CCEDRM
O=C([O-])NCCCN=Nc1ccc(-n2cccn2)nn1	ZINC000832605305	605464687	/nfs/dbraw/zinc/46/46/87/605464687.db2.gz	PZVYZBLAKDIOLE-UHFFFAOYSA-N	-1	0	275.272	0.718	20	30		CCEDRM
N#C[C@H]1COCCN1C(=O)CC[C@@H]1CCN(C(=O)[O-])C1	ZINC000833966460	605481614	/nfs/dbraw/zinc/48/16/14/605481614.db2.gz	LCJKWASNOCPNIU-MNOVXSKESA-N	-1	0	281.312	0.517	20	30		CCEDRM
N#Cc1cccc(CNC(=O)C2CN(C(=O)[O-])C2)c1	ZINC000833978837	605513390	/nfs/dbraw/zinc/51/33/90/605513390.db2.gz	YQODQEVVECIINZ-UHFFFAOYSA-N	-1	0	259.265	0.784	20	30		CCEDRM
Cn1cc(C#N)c(NC(=O)N[C@H]2CCCN(C(=O)[O-])C2)n1	ZINC000830984347	605674959	/nfs/dbraw/zinc/67/49/59/605674959.db2.gz	DFCMGBXFJMHHJO-VIFPVBQESA-N	-1	0	292.299	0.556	20	30		CCEDRM
N#Cc1ccc(-c2nc([C@@H]3COCCN3C(=O)[O-])no2)[nH]1	ZINC000833975288	605712261	/nfs/dbraw/zinc/71/22/61/605712261.db2.gz	VBDHVERPQNJABG-VIFPVBQESA-N	-1	0	289.251	0.988	20	30		CCEDRM
N#C[C@@H]1CN(C(=O)[O-])CCN1C(=O)Cc1ccncc1	ZINC000833965664	605734427	/nfs/dbraw/zinc/73/44/27/605734427.db2.gz	CQBALWMPSBXZSD-LLVKDONJSA-N	-1	0	274.280	0.338	20	30		CCEDRM
N#C[C@@H]1CN(C(=O)[O-])CCN1C(=O)[C@@H]1[C@@H]2CCCO[C@H]12	ZINC000833968596	605758184	/nfs/dbraw/zinc/75/81/84/605758184.db2.gz	WNBPEVPAZJHMQT-YTWAJWBKSA-N	-1	0	279.296	0.126	20	30		CCEDRM
C[C@@H]1CN(C(=O)[C@H](O)c2ccc(C#N)cc2)C[C@H]1C(=O)[O-]	ZINC000833621286	605758714	/nfs/dbraw/zinc/75/87/14/605758714.db2.gz	ZJDVIJPHGDLZJC-OASPWFOLSA-N	-1	0	288.303	0.771	20	30		CCEDRM
N#CCCn1ccc(NC(=O)NCC2CN(C(=O)[O-])C2)n1	ZINC000833965152	605763002	/nfs/dbraw/zinc/76/30/02/605763002.db2.gz	BFGCXNHFCKIMKH-UHFFFAOYSA-N	-1	0	292.299	0.528	20	30		CCEDRM
N#Cc1ccc([C@@H](O)C(=O)N2CCCN2C(=O)[O-])cc1	ZINC000833974818	605847413	/nfs/dbraw/zinc/84/74/13/605847413.db2.gz	XSAQIRIOSXAQKR-LLVKDONJSA-N	-1	0	275.264	0.719	20	30		CCEDRM
N#C[C@H]1CSCCN1C(=O)[C@@H]1CCN(C(=O)[O-])C1	ZINC000833966122	605972886	/nfs/dbraw/zinc/97/28/86/605972886.db2.gz	HSJNOLXAABAOPC-BDAKNGLRSA-N	-1	0	269.326	0.454	20	30		CCEDRM
N#C[C@@H]1CN(C(=O)[O-])CCN1C(=O)c1ccn(C(F)F)n1	ZINC000833965684	605997562	/nfs/dbraw/zinc/99/75/62/605997562.db2.gz	DCQVPCOUPIRAQT-SSDOTTSWSA-N	-1	0	299.237	0.606	20	30		CCEDRM
N#CCN(CC#N)C(=O)[C@H](CC(F)F)NC(=O)[O-]	ZINC000833966360	606029836	/nfs/dbraw/zinc/02/98/36/606029836.db2.gz	DSUNCMAUEVPGMV-LURJTMIESA-N	-1	0	260.200	0.154	20	30		CCEDRM
N#Cc1cc(C(=O)N2CCC[C@@H](NC(=O)[O-])C2)c[nH]1	ZINC000833970017	606089530	/nfs/dbraw/zinc/08/95/30/606089530.db2.gz	HUSILUIZJCAGSF-SECBINFHSA-N	-1	0	262.269	0.759	20	30		CCEDRM
C#CCCS(=O)(=O)[N-]C(=O)CNC(=O)CCC(C)C	ZINC000810786427	613052786	/nfs/dbraw/zinc/05/27/86/613052786.db2.gz	IPHYDQQUPWRIGH-UHFFFAOYSA-N	-1	0	288.369	0.008	20	30		CCEDRM
C#CCCS(=O)(=O)[N-]C(=O)CCc1ccoc1	ZINC000810785375	613052792	/nfs/dbraw/zinc/05/27/92/613052792.db2.gz	FUOMBMDSUXTXME-UHFFFAOYSA-N	-1	0	255.295	0.682	20	30		CCEDRM
C#CCCS(=O)(=O)[N-]C(=O)CCC(=O)OC(C)(C)C	ZINC000810782561	613052809	/nfs/dbraw/zinc/05/28/09/613052809.db2.gz	SIIOFKGBVDRVRX-UHFFFAOYSA-N	-1	0	289.353	0.578	20	30		CCEDRM
C#CC[C@H](CCOC)NS(=O)(=O)N=[S@](C)(=O)CC	ZINC000867568225	613052820	/nfs/dbraw/zinc/05/28/20/613052820.db2.gz	GAZDETZSGLWNTD-BMLIUANNSA-N	-1	0	296.414	0.367	20	30		CCEDRM
C#CCCS(=O)(=O)[N-]C(=O)CCOCC(F)F	ZINC000810780308	613052849	/nfs/dbraw/zinc/05/28/49/613052849.db2.gz	XYHURKYFWRRCRI-UHFFFAOYSA-N	-1	0	269.269	0.128	20	30		CCEDRM
C#CCCS(=O)(=O)[N-]C(=O)C[C@H](C)n1ccc(C)n1	ZINC000851000476	613052905	/nfs/dbraw/zinc/05/29/05/613052905.db2.gz	UFTADXRGDBNOKU-NSHDSACASA-N	-1	0	283.353	0.612	20	30		CCEDRM
C#CCCS(=O)(=O)[N-]C(=O)c1ccn(C)c1C	ZINC000810781772	613053801	/nfs/dbraw/zinc/05/38/01/613053801.db2.gz	CZMNVYPIRWGAPK-UHFFFAOYSA-N	-1	0	254.311	0.416	20	30		CCEDRM
C#CCCS(=O)(=O)NCc1nnc(SC)s1	ZINC000808307837	613054517	/nfs/dbraw/zinc/05/45/17/613054517.db2.gz	DOIYFYRTISNBJC-UHFFFAOYSA-N	-1	0	277.396	0.703	20	30		CCEDRM
COC[C@H](C)CC(=O)Nc1nc(C#N)c(-c2nn[nH]n2)[n-]1	ZINC000821681499	606694119	/nfs/dbraw/zinc/69/41/19/606694119.db2.gz	MFUSRTIPJQDJAS-ZCFIWIBFSA-N	-1	0	290.287	0.073	20	30		CCEDRM
C#CCN(C(=O)CSc1n[nH]c(=O)[n-]1)C(C)C	ZINC000928626130	613066262	/nfs/dbraw/zinc/06/62/62/613066262.db2.gz	QKMCCQKVBDRGTH-UHFFFAOYSA-N	-1	0	254.315	0.473	20	30		CCEDRM
N#Cc1ccc([C@@H](O)Cn2cnc(-c3nnn[n-]3)n2)cc1	ZINC000826384810	607869127	/nfs/dbraw/zinc/86/91/27/607869127.db2.gz	KNNFOTDSJKPNFD-JTQLQIEISA-N	-1	0	282.267	0.063	20	30		CCEDRM
C#CC[C@H](NC(=O)c1cnc(C(C)(C)C)nc1)C(=O)[O-]	ZINC000910050350	613070452	/nfs/dbraw/zinc/07/04/52/613070452.db2.gz	ILRGUHMTCGFKPQ-JTQLQIEISA-N	-1	0	275.308	0.980	20	30		CCEDRM
C#CC[C@H](NC(=O)c1sc(COC)nc1C)C(=O)[O-]	ZINC000910054333	613070800	/nfs/dbraw/zinc/07/08/00/613070800.db2.gz	PHUYKTXEBMHZQW-QMMMGPOBSA-N	-1	0	282.321	0.804	20	30		CCEDRM
CS[C@@H](C)CC(=O)Nc1nc(C#N)c(-c2nn[nH]n2)[n-]1	ZINC000826224707	607960999	/nfs/dbraw/zinc/96/09/99/607960999.db2.gz	KKGRYAWPARDRLX-YFKPBYRVSA-N	-1	0	292.328	0.542	20	30		CCEDRM
C#CCN(CC)S(=O)(=O)c1cc(C(=O)[O-])ccc1[O-]	ZINC000906830678	613106422	/nfs/dbraw/zinc/10/64/22/613106422.db2.gz	ZLUKQXSZCJDWKP-UHFFFAOYSA-N	-1	0	283.305	0.734	20	30		CCEDRM
C=C(Cl)C[C@@H](NC(=O)CCC(=O)NCC)C(=O)[O-]	ZINC000864182600	613388401	/nfs/dbraw/zinc/38/84/01/613388401.db2.gz	BDCZEYFDUFAUTN-MRVPVSSYSA-N	-1	0	276.720	0.615	20	30		CCEDRM
C=C(Cl)C[C@H]1NC(=O)N(CC(=O)[N-]OCC)C1=O	ZINC000865311535	613390894	/nfs/dbraw/zinc/39/08/94/613390894.db2.gz	HJVVSANGXNSAPF-SSDOTTSWSA-N	-1	0	275.692	0.117	20	30		CCEDRM
CS/C=C\C(=O)[N-]S(=O)(=O)c1cncc(C#N)c1	ZINC000813981927	617201016	/nfs/dbraw/zinc/20/10/16/617201016.db2.gz	NAVJBISAUCSHNR-IHWYPQMZSA-N	-1	0	283.334	0.635	20	30		CCEDRM
C=CCS(=O)(=O)[N-]C(=O)CCOCCCOC	ZINC000850913211	613886073	/nfs/dbraw/zinc/88/60/73/613886073.db2.gz	MTFJIEYATSWXTN-UHFFFAOYSA-N	-1	0	265.331	0.062	20	30		CCEDRM
CC(C)C[C@@H](C)N(C)C(=O)CN(CC#N)CC(=O)[O-]	ZINC000826759605	614185643	/nfs/dbraw/zinc/18/56/43/614185643.db2.gz	JHMFVEDAGRMIFH-LLVKDONJSA-N	-1	0	269.345	0.790	20	30		CCEDRM
C#CCCCCNC(=O)N[C@@H](C(=O)[O-])C1CCOCC1	ZINC000797725156	612977944	/nfs/dbraw/zinc/97/79/44/612977944.db2.gz	VKKFJEGBLMDGGG-GFCCVEGCSA-N	-1	0	282.340	0.969	20	30		CCEDRM
C#CCCCNC(=O)C(=O)NCC(CC)(CC)C(=O)[O-]	ZINC000818657491	612979813	/nfs/dbraw/zinc/97/98/13/612979813.db2.gz	UXSVHRYADSHBIU-UHFFFAOYSA-N	-1	0	282.340	0.523	20	30		CCEDRM
CSCCCC(=O)[N-]S(=O)(=O)CC1(C#N)CC1	ZINC000793196447	617232725	/nfs/dbraw/zinc/23/27/25/617232725.db2.gz	JYWDNZMVRSHGMX-UHFFFAOYSA-N	-1	0	276.383	0.879	20	30		CCEDRM
COc1ccc(C=NNCC(=O)[O-])cc1[N+](=O)[O-]	ZINC000814958154	617238336	/nfs/dbraw/zinc/23/83/36/617238336.db2.gz	BGAXJXBSTYLDPJ-UHFFFAOYSA-N	-1	0	253.214	0.612	20	30		CCEDRM
C[C@@H](C(=O)N1CCN(C(=O)[O-])C[C@@H]1C#N)c1cnn(C)c1	ZINC000823668979	617304401	/nfs/dbraw/zinc/30/44/01/617304401.db2.gz	JZGLBIRRKVMSKZ-KOLCDFICSA-N	-1	0	291.311	0.238	20	30		CCEDRM
C#CC1(O)CCN(C(=O)c2n[n-]c3ccccc3c2=O)CC1	ZINC000899116474	612952077	/nfs/dbraw/zinc/95/20/77/612952077.db2.gz	OFIDKKUYLIERHX-UHFFFAOYSA-N	-1	0	297.314	0.936	20	30		CCEDRM
C#CCC(C)(C)C(=O)[N-]S(=O)(=O)c1cccnc1	ZINC000810518421	612966036	/nfs/dbraw/zinc/96/60/36/612966036.db2.gz	AVDDRZQQDMYFEX-UHFFFAOYSA-N	-1	0	266.322	0.936	20	30		CCEDRM
C#CCCCC(=O)NCC1(C(=O)[O-])CCOCC1	ZINC000909528106	612974950	/nfs/dbraw/zinc/97/49/50/612974950.db2.gz	NBNIVRVNZPMTOS-UHFFFAOYSA-N	-1	0	253.298	0.788	20	30		CCEDRM
C#CCOCCC(=O)N(C)[C@@H](COC(C)C)C(=O)[O-]	ZINC000833364047	612977200	/nfs/dbraw/zinc/97/72/00/612977200.db2.gz	IBJVFRTVRPLGHN-NSHDSACASA-N	-1	0	271.313	0.363	20	30		CCEDRM
C#CCCCNC(=O)C(=O)Nc1cc(C(=O)[O-])ccc1F	ZINC000825605414	612981095	/nfs/dbraw/zinc/98/10/95/612981095.db2.gz	CIXJDMBIZMNDEQ-UHFFFAOYSA-N	-1	0	292.266	0.992	20	30		CCEDRM
C#CCOCCN1c2ccc(F)cc2C([O-])=CS1(=O)=O	ZINC000902473618	612984920	/nfs/dbraw/zinc/98/49/20/612984920.db2.gz	AQWRDUCWQVQOAU-UHFFFAOYSA-N	-1	0	297.307	0.808	20	30		CCEDRM
C#CCOCCNC(=O)N1CCC(C)(C(=O)[O-])CC1	ZINC000831039494	612985752	/nfs/dbraw/zinc/98/57/52/612985752.db2.gz	ZRLPNDQJYFPEOR-UHFFFAOYSA-N	-1	0	268.313	0.533	20	30		CCEDRM
C#CCOCCNC(=O)N1CCC[C@H]1CC(=O)[O-]	ZINC000833366122	612986335	/nfs/dbraw/zinc/98/63/35/612986335.db2.gz	HCKLQAVLJGEAMJ-JTQLQIEISA-N	-1	0	254.286	0.285	20	30		CCEDRM
C#CCOCCNC(=O)[C@@H]1CCC[C@@H](C(=O)[O-])C1	ZINC000833366317	612988469	/nfs/dbraw/zinc/98/84/69/612988469.db2.gz	QWASEGBOJNSNDJ-GHMZBOCLSA-N	-1	0	253.298	0.643	20	30		CCEDRM
C#CCOCCNC(=O)c1cccc(OCC(=O)[O-])c1	ZINC000833366462	612989133	/nfs/dbraw/zinc/98/91/33/612989133.db2.gz	YGFZNPXZGNRECW-UHFFFAOYSA-N	-1	0	277.276	0.530	20	30		CCEDRM
C#CCO[N-]C(=O)CN(CC#C)C(=O)OC(C)(C)C	ZINC000855606287	612992201	/nfs/dbraw/zinc/99/22/01/612992201.db2.gz	JMDGDRHSSAWWHQ-UHFFFAOYSA-N	-1	0	266.297	0.538	20	30		CCEDRM
C#CCO[N-]C(=O)Cc1n[nH]c(=O)c2ccccc12	ZINC000812781598	612992344	/nfs/dbraw/zinc/99/23/44/612992344.db2.gz	BMIGWVVQWKOSLX-UHFFFAOYSA-N	-1	0	257.249	0.559	20	30		CCEDRM
C#CCO[N-]C(=O)[C@@H](C[C@H]1COCCO1)C(F)(F)F	ZINC000855605891	612992397	/nfs/dbraw/zinc/99/23/97/612992397.db2.gz	BFRNGFZYKUZZJO-DTWKUNHWSA-N	-1	0	281.230	0.651	20	30		CCEDRM
C#CCO[N-]C(=O)Cn1c(C)nc2ccccc2c1=O	ZINC000812782460	612992422	/nfs/dbraw/zinc/99/24/22/612992422.db2.gz	ZOYHKLGFJMBMST-UHFFFAOYSA-N	-1	0	271.276	0.386	20	30		CCEDRM
C#CCO[C@@H](C)C(=O)NCc1ccc(C(=O)[O-])o1	ZINC000909263186	612996471	/nfs/dbraw/zinc/99/64/71/612996471.db2.gz	YSKJCSZMXUNJFR-QMMMGPOBSA-N	-1	0	251.238	0.632	20	30		CCEDRM
C#CCO[C@@H](C)C(=O)[N-]S(=O)(=O)C1(CC)CC1	ZINC000835534921	612996687	/nfs/dbraw/zinc/99/66/87/612996687.db2.gz	BMIRUPGEVDQRFV-VIFPVBQESA-N	-1	0	259.327	0.413	20	30		CCEDRM
C#CCO[C@H](C)C(=O)N[C@@H](C(=O)[O-])[C@@H]1CCCOC1	ZINC000909538727	613002329	/nfs/dbraw/zinc/00/23/29/613002329.db2.gz	MWTCFPYOYBLEKC-GMTAPVOTSA-N	-1	0	269.297	0.021	20	30		CCEDRM
C#CCO[C@H](C)C(=O)N[C@@]1(CC(=O)[O-])CCCOC1	ZINC000909694146	613003059	/nfs/dbraw/zinc/00/30/59/613003059.db2.gz	SWHZMZRRWYTFBB-ZWNOBZJWSA-N	-1	0	269.297	0.165	20	30		CCEDRM
C#CCCN1CCN(C(=O)CN(CC2CC2)C(=O)[O-])CC1	ZINC000823444497	613009459	/nfs/dbraw/zinc/00/94/59/613009459.db2.gz	KHLONGLWLILYGD-UHFFFAOYSA-N	-1	0	293.367	0.544	20	30		CCEDRM
C#CCCN1CCN(C(=O)[C@H](C)CN(C)C(=O)[O-])CC1	ZINC000823444008	613010085	/nfs/dbraw/zinc/01/00/85/613010085.db2.gz	AWDKTPXOUXLHAZ-GFCCVEGCSA-N	-1	0	281.356	0.400	20	30		CCEDRM
C#CCCN1CCN(C(=O)[C@H]2CC[C@H](NC(=O)[O-])C2)CC1	ZINC000823444504	613010397	/nfs/dbraw/zinc/01/03/97/613010397.db2.gz	KUHMNAIQHCAUPM-STQMWFEESA-N	-1	0	293.367	0.590	20	30		CCEDRM
C#CC[C@@H](CO)NC(=O)NCc1ccc(O)c(F)c1	ZINC000919746579	613025981	/nfs/dbraw/zinc/02/59/81/613025981.db2.gz	DEQSHONERBHHFK-JTQLQIEISA-N	-1	0	266.272	0.715	20	30		CCEDRM
C#CC[C@@H](CO)NC(=O)c1ccccc1[N-]S(C)(=O)=O	ZINC000820065277	613029396	/nfs/dbraw/zinc/02/93/96/613029396.db2.gz	XSIKEVUGQAKTJH-JTQLQIEISA-N	-1	0	296.348	0.172	20	30		CCEDRM
C#CC[C@@H](NC(=O)COc1c(C)nn(C)c1C)C(=O)[O-]	ZINC000910054790	613040104	/nfs/dbraw/zinc/04/01/04/613040104.db2.gz	SOXYXZXQZHCCFY-SNVBAGLBSA-N	-1	0	279.296	0.008	20	30		CCEDRM
C#CC[C@@H](NC(=O)[C@@H]1COCCN1C1CCCC1)C(=O)[O-]	ZINC000910049520	613040744	/nfs/dbraw/zinc/04/07/44/613040744.db2.gz	WKARYIMDRJAJJS-OLZOCXBDSA-N	-1	0	294.351	0.223	20	30		CCEDRM
C#CC[C@@H](NC(=O)[C@@]1(O)CCCC(C)(C)C1)C(=O)[O-]	ZINC000910048119	613041032	/nfs/dbraw/zinc/04/10/32/613041032.db2.gz	DUWFAMKPMDCMCQ-QMTHXVAHSA-N	-1	0	267.325	0.910	20	30		CCEDRM
C#CC[C@@H](NC(=O)[C@H](C)c1c(C)noc1C)C(=O)[O-]	ZINC000910054962	613041047	/nfs/dbraw/zinc/04/10/47/613041047.db2.gz	VCGJVVZHANALGU-GMSGAONNSA-N	-1	0	264.281	0.988	20	30		CCEDRM
C#CC[C@@H](NC(=O)[C@]1(C)COc2ccccc2O1)C(=O)[O-]	ZINC000910048253	613041478	/nfs/dbraw/zinc/04/14/78/613041478.db2.gz	HMILHZXYQNZXLX-BMIGLBTASA-N	-1	0	289.287	0.809	20	30		CCEDRM
C#CCCNS(=O)(=O)c1cc(CC(=O)[O-])ccc1OC	ZINC000871870427	613048135	/nfs/dbraw/zinc/04/81/35/613048135.db2.gz	HNXLINOKIYZHNR-UHFFFAOYSA-N	-1	0	297.332	0.624	20	30		CCEDRM
C#CCCS(=O)(=O)[N-]C(=O)C(C#N)(CC)CC	ZINC000860721520	613052503	/nfs/dbraw/zinc/05/25/03/613052503.db2.gz	GVPDXFVRMMZRPS-UHFFFAOYSA-N	-1	0	256.327	0.786	20	30		CCEDRM
C#CCCS(=O)(=O)[N-]C(=O)/C=C\[C@@H]1CCCO1	ZINC000820894505	613052504	/nfs/dbraw/zinc/05/25/04/613052504.db2.gz	AOBYHJPKVFHOKQ-GFVADAIESA-N	-1	0	257.311	0.191	20	30		CCEDRM
C#CCCS(=O)(=O)[N-]C(=O)C[C@@H](C)n1ccnc1	ZINC000845545938	613052984	/nfs/dbraw/zinc/05/29/84/613052984.db2.gz	UADLWYALKCAMTH-SNVBAGLBSA-N	-1	0	269.326	0.304	20	30		CCEDRM
C#CCCS(=O)(=O)[N-]C(=O)[C@@H]1CCC[C@H](OC)C1	ZINC000816056044	613053196	/nfs/dbraw/zinc/05/31/96/613053196.db2.gz	BTTFFAAKNGNFJN-MNOVXSKESA-N	-1	0	273.354	0.661	20	30		CCEDRM
C#CCCS(=O)(=O)[N-]C(=O)[C@H]1CCCC[C@@H]1OC	ZINC000816056395	613053425	/nfs/dbraw/zinc/05/34/25/613053425.db2.gz	QUKQIMCMDBVEED-QWRGUYRKSA-N	-1	0	273.354	0.661	20	30		CCEDRM
C#CCCS(=O)(=O)[N-]C(=O)c1cn2ccc(C)cc2n1	ZINC000810781939	613053715	/nfs/dbraw/zinc/05/37/15/613053715.db2.gz	IUUZHBFNLORDBA-UHFFFAOYSA-N	-1	0	291.332	0.726	20	30		CCEDRM
C#CCCS(=O)(=O)[N-]C(=O)c1nc(C2CC2)oc1C	ZINC000810778642	613053790	/nfs/dbraw/zinc/05/37/90/613053790.db2.gz	HLGUQIZYEUJEFB-UHFFFAOYSA-N	-1	0	282.321	0.943	20	30		CCEDRM
C#CC[C@H](COC)NC(=O)C(=O)[N-]OC1CCCCC1	ZINC000875602652	613060341	/nfs/dbraw/zinc/06/03/41/613060341.db2.gz	IZUAQMCBAZYTFR-LLVKDONJSA-N	-1	0	282.340	0.521	20	30		CCEDRM
C#CC[C@H](NC(=O)CCCOC1CCOCC1)C(=O)[O-]	ZINC000910049595	613067681	/nfs/dbraw/zinc/06/76/81/613067681.db2.gz	YJCYOLACCOHILQ-LBPRGKRZSA-N	-1	0	283.324	0.555	20	30		CCEDRM
C#CC[C@H](NC(=O)C[C@@H](C)NC(=O)C1CCCC1)C(=O)[O-]	ZINC000910054395	613068036	/nfs/dbraw/zinc/06/80/36/613068036.db2.gz	NBQMKLQKQRRPSQ-PWSUYJOCSA-N	-1	0	294.351	0.664	20	30		CCEDRM
C#CC[C@H](NC(=O)[C@H]1CCc2cncn2C1)C(=O)[O-]	ZINC000910047976	613069684	/nfs/dbraw/zinc/06/96/84/613069684.db2.gz	BDLPAZMXWUYBHP-ONGXEEELSA-N	-1	0	261.281	0.038	20	30		CCEDRM
C#CC[C@H](NC(=O)[C@]1(C)COc2ccccc2O1)C(=O)[O-]	ZINC000910048254	613069757	/nfs/dbraw/zinc/06/97/57/613069757.db2.gz	HMILHZXYQNZXLX-BONVTDFDSA-N	-1	0	289.287	0.809	20	30		CCEDRM
C#CC[C@H](NC(=O)c1cc(OCC(F)F)ccn1)C(=O)[O-]	ZINC000910048749	613070177	/nfs/dbraw/zinc/07/01/77/613070177.db2.gz	NUIFSJSYYPJAHF-VIFPVBQESA-N	-1	0	298.245	0.932	20	30		CCEDRM
C#CC[C@H](NC(=O)c1cn(C(C)C)nc1C)C(=O)[O-]	ZINC000910045777	613070388	/nfs/dbraw/zinc/07/03/88/613070388.db2.gz	GZBKDDINXKRKNJ-NSHDSACASA-N	-1	0	263.297	0.979	20	30		CCEDRM
C#C[C@@H](CCC)NC(=O)c1cc(S(N)(=O)=O)ccc1[O-]	ZINC000834363569	613085767	/nfs/dbraw/zinc/08/57/67/613085767.db2.gz	GXIIIPVKRMFEMM-VIFPVBQESA-N	-1	0	296.348	0.571	20	30		CCEDRM
C#C[C@@H](CCC)NC(=O)c1ccc([N-]S(C)(=O)=O)nc1	ZINC000861296762	613085775	/nfs/dbraw/zinc/08/57/75/613085775.db2.gz	FUBQUKKVUUCLRY-NSHDSACASA-N	-1	0	295.364	0.985	20	30		CCEDRM
C#C[C@@H](CO)NC(=O)c1ccccc1[N-]S(=O)(=O)CC	ZINC000854769503	613089890	/nfs/dbraw/zinc/08/98/90/613089890.db2.gz	NKJLGDIWSUBWPI-JTQLQIEISA-N	-1	0	296.348	0.172	20	30		CCEDRM
C#C[C@@H](NC(=O)c1cc(C(=O)[O-])nn1C)C1CCOCC1	ZINC000911793045	613098752	/nfs/dbraw/zinc/09/87/52/613098752.db2.gz	ULWSMUDFHFEYKL-SNVBAGLBSA-N	-1	0	291.307	0.277	20	30		CCEDRM
C#CCN(CC#C)C(=O)[C@@H](CC(F)F)NC(=O)[O-]	ZINC000833786959	613098868	/nfs/dbraw/zinc/09/88/68/613098868.db2.gz	FHWDJSLDLYKVKE-MRVPVSSYSA-N	-1	0	258.224	0.373	20	30		CCEDRM
C#CCN(CC)C(=O)C(=O)Nc1sccc1C(=O)[O-]	ZINC000825614226	613105339	/nfs/dbraw/zinc/10/53/39/613105339.db2.gz	JIIILTSTPSAMRM-UHFFFAOYSA-N	-1	0	280.305	0.867	20	30		CCEDRM
C#CCN(Cc1ccccc1)C(=O)NCCOCC(=O)[O-]	ZINC000874409091	613108630	/nfs/dbraw/zinc/10/86/30/613108630.db2.gz	RIJWRGQDILOZMV-UHFFFAOYSA-N	-1	0	290.319	0.933	20	30		CCEDRM
COc1ccccc1NCC(=O)N[C@H]1CCCN(O)C1=O	ZINC000848138208	617316474	/nfs/dbraw/zinc/31/64/74/617316474.db2.gz	KJFJLUMSPCSRJG-NSHDSACASA-N	-1	0	293.323	0.604	20	30		CCEDRM
C#C[C@H](C)OC(=O)CN(C[C@H]1CCCO1)C(=O)[O-]	ZINC000823441045	613119368	/nfs/dbraw/zinc/11/93/68/613119368.db2.gz	QYRFARDIKGVHMN-VHSXEESVSA-N	-1	0	255.270	0.710	20	30		CCEDRM
C#C[C@H]1CCCCN1C(=O)NCC(=O)[N-]OCC	ZINC000895570140	613154147	/nfs/dbraw/zinc/15/41/47/613154147.db2.gz	DLAIOPGCYUKKAL-JTQLQIEISA-N	-1	0	253.302	0.251	20	30		CCEDRM
C#C[C@H]1CCCN(C(=O)NCC(=O)[N-]OCC)C1	ZINC000847389512	613156958	/nfs/dbraw/zinc/15/69/58/613156958.db2.gz	QRGKGDIEXQTDBZ-JTQLQIEISA-N	-1	0	253.302	0.109	20	30		CCEDRM
C#Cc1ccc(C(=O)N2CCC[C@@H](c3n[nH]c(=O)[n-]3)C2)nc1	ZINC000843878603	613169220	/nfs/dbraw/zinc/16/92/20/613169220.db2.gz	OJBZFQIQKAIVLV-LLVKDONJSA-N	-1	0	297.318	0.906	20	30		CCEDRM
C#Cc1ccc(C(=O)N[C@H](CCOC)C(=O)[O-])cc1	ZINC000909626430	613188385	/nfs/dbraw/zinc/18/83/85/613188385.db2.gz	OMANRVAJYBOHBT-GFCCVEGCSA-N	-1	0	261.277	0.887	20	30		CCEDRM
C#CCN1CCC[C@H]1C(=O)Nc1ccc(C(=O)[O-])nc1	ZINC000910334649	613203443	/nfs/dbraw/zinc/20/34/43/613203443.db2.gz	YLMMCHPZVADQFJ-LBPRGKRZSA-N	-1	0	273.292	0.816	20	30		CCEDRM
C#Cc1cncc(C(=O)N2CC3CC2(C(=O)[O-])C3)c1	ZINC000909948450	613212019	/nfs/dbraw/zinc/21/20/19/613212019.db2.gz	GPVYJDUZNKHXNU-UHFFFAOYSA-N	-1	0	256.261	0.752	20	30		CCEDRM
C#Cc1cncc(C(=O)N2CCC[C@@H](O)[C@H]2C(=O)[O-])c1	ZINC000911631798	613212809	/nfs/dbraw/zinc/21/28/09/613212809.db2.gz	SALYVGNFHSCALN-NEPJUHHUSA-N	-1	0	274.276	0.113	20	30		CCEDRM
C#CCN1CC[C@H](C)[C@H](NC(=O)c2[nH]nc(C)c2[O-])C1	ZINC000965911435	613255353	/nfs/dbraw/zinc/25/53/53/613255353.db2.gz	SUMLVEWFNGNDIQ-GXSJLCMTSA-N	-1	0	276.340	0.497	20	30		CCEDRM
C=C(C)CN(CC)C(=O)C(=O)NC[C@@H](CC)C(=O)[O-]	ZINC000927960134	613292873	/nfs/dbraw/zinc/29/28/73/613292873.db2.gz	MRNJDFPTLXOXLJ-SNVBAGLBSA-N	-1	0	270.329	0.638	20	30		CCEDRM
C=C(C)COCCNC(=O)N1CC[C@@H](NC(=O)[O-])C1	ZINC000823480496	613351908	/nfs/dbraw/zinc/35/19/08/613351908.db2.gz	DUFWNHDYNUILKB-SNVBAGLBSA-N	-1	0	271.317	0.631	20	30		CCEDRM
C=C(C)CO[N-]C(=O)C(=O)Nc1ccn([C@H](C)COC)n1	ZINC000846147503	613352399	/nfs/dbraw/zinc/35/23/99/613352399.db2.gz	RGIYKZBANXHKHW-SNVBAGLBSA-N	-1	0	296.327	0.653	20	30		CCEDRM
C=C(C)CO[N-]C(=O)Cn1c2ccccc2n(C)c1=O	ZINC000846537789	613352592	/nfs/dbraw/zinc/35/25/92/613352592.db2.gz	NKAURPPXMXGPKK-UHFFFAOYSA-N	-1	0	275.308	0.964	20	30		CCEDRM
C=C(C)CO[N-]C(=O)[C@H]1COCCN1CC(F)F	ZINC000846536192	613353816	/nfs/dbraw/zinc/35/38/16/613353816.db2.gz	XJLAXPOBGYRXQU-SECBINFHSA-N	-1	0	264.272	0.576	20	30		CCEDRM
C=C(C)CS(=O)(=O)N[C@@H](C[C@H]1CCCO1)C(=O)OC	ZINC000885767863	613354237	/nfs/dbraw/zinc/35/42/37/613354237.db2.gz	CUNPSCOUJWOVPW-MNOVXSKESA-N	-1	0	291.369	0.593	20	30		CCEDRM
C=C(C)CS(=O)(=O)N[C@@H](C[C@@H]1CCCO1)C(=O)OC	ZINC000885767864	613354288	/nfs/dbraw/zinc/35/42/88/613354288.db2.gz	CUNPSCOUJWOVPW-QWRGUYRKSA-N	-1	0	291.369	0.593	20	30		CCEDRM
C=C(C)CS(=O)(=O)N[C@@H](Cc1cncs1)C(=O)[O-]	ZINC000871770650	613354291	/nfs/dbraw/zinc/35/42/91/613354291.db2.gz	GIOZSAHFIVWNOR-VIFPVBQESA-N	-1	0	290.366	0.634	20	30		CCEDRM
C=C(C)C[C@@H](NS(=O)(=O)CC1(F)CC1)C(=O)[O-]	ZINC000905999533	613356737	/nfs/dbraw/zinc/35/67/37/613356737.db2.gz	DUKARPBAKBWDDE-MRVPVSSYSA-N	-1	0	265.306	0.827	20	30		CCEDRM
C=C(C)C[C@H](NC(C)=O)C(=O)[N-]OCCOCC	ZINC000832389530	613359411	/nfs/dbraw/zinc/35/94/11/613359411.db2.gz	GARUPRDHHJIBKT-NSHDSACASA-N	-1	0	258.318	0.542	20	30		CCEDRM
C=C(C)[C@H](CC(=O)N1CCC[C@@H](O)[C@H]1C(=O)[O-])OCC	ZINC000911637691	613362186	/nfs/dbraw/zinc/36/21/86/613362186.db2.gz	QRYNMLMBQRFBSW-MDZLAQPJSA-N	-1	0	285.340	0.794	20	30		CCEDRM
C=C(C)[C@H]1OCC[C@@H]1CNC(=O)N1C[C@H](O)C[C@@H]1C(=O)[O-]	ZINC000908704717	613362824	/nfs/dbraw/zinc/36/28/24/613362824.db2.gz	YTECGHJGQWXSLY-DDHJBXDOSA-N	-1	0	298.339	0.197	20	30		CCEDRM
C=C(C)[C@H]1OCC[C@H]1C(=O)N[C@H](CSC)C(=O)[O-]	ZINC000910872182	613362967	/nfs/dbraw/zinc/36/29/67/613362967.db2.gz	ONTXNOCPEMFISF-OPRDCNLKSA-N	-1	0	273.354	0.900	20	30		CCEDRM
C=C(Cl)C[C@@H](NC(=O)Cn1ccc(C)cc1=O)C(=O)[O-]	ZINC000864189842	613388649	/nfs/dbraw/zinc/38/86/49/613388649.db2.gz	VJWBRMRKEHXJID-SNVBAGLBSA-N	-1	0	298.726	0.869	20	30		CCEDRM
C=C(Cl)C[C@@H](NS(=O)(=O)CC1CC1)C(=O)[O-]	ZINC000863421598	613388722	/nfs/dbraw/zinc/38/87/22/613388722.db2.gz	TWHGTNJBOJTHGQ-MRVPVSSYSA-N	-1	0	267.734	0.912	20	30		CCEDRM
C=C(Cl)C[C@H](NC(=O)[C@@H](C)S(C)(=O)=O)C(=O)[O-]	ZINC000864184257	613390634	/nfs/dbraw/zinc/39/06/34/613390634.db2.gz	LQCYHLIFSQTPCV-RQJHMYQMSA-N	-1	0	283.733	0.132	20	30		CCEDRM
C=C(Cl)C[C@H](NC(=O)Cn1ccc(C)n1)C(=O)[O-]	ZINC000910271592	613390669	/nfs/dbraw/zinc/39/06/69/613390669.db2.gz	PYWCJKASVMFWHC-VIFPVBQESA-N	-1	0	271.704	0.904	20	30		CCEDRM
C=C(Cl)C[C@H](NC(=O)[C@H](COC)OC)C(=O)[O-]	ZINC000864186496	613390855	/nfs/dbraw/zinc/39/08/55/613390855.db2.gz	QURFFTGWAGWQRZ-YUMQZZPRSA-N	-1	0	265.693	0.360	20	30		CCEDRM
C=C(Cl)C[C@H](NS(=O)(=O)C[C@@H](C)OC)C(=O)[O-]	ZINC000871996694	613390904	/nfs/dbraw/zinc/39/09/04/613390904.db2.gz	SOWNXKXPAZZZRK-SFYZADRCSA-N	-1	0	285.749	0.537	20	30		CCEDRM
C=CCS(=O)(=O)[N-]C(=O)c1cnn(CC)c1C	ZINC000870259019	613394915	/nfs/dbraw/zinc/39/49/15/613394915.db2.gz	MAZSKMPSTHKWMC-UHFFFAOYSA-N	-1	0	257.315	0.457	20	30		CCEDRM
C=CCSCCNC(=O)NCC(=O)[N-]OCC	ZINC000845550778	613395259	/nfs/dbraw/zinc/39/52/59/613395259.db2.gz	RFJQCTHEGIQWAS-UHFFFAOYSA-N	-1	0	261.347	0.273	20	30		CCEDRM
C=CC[C@@H](CO)CNC(=O)c1c[nH]c(-c2nn[nH]n2)c1	ZINC000823888900	613402207	/nfs/dbraw/zinc/40/22/07/613402207.db2.gz	ZUGXFNGYSAXNRZ-MRVPVSSYSA-N	-1	0	276.300	0.109	20	30		CCEDRM
C=CC[C@@H]1CCN1C(=O)CSc1n[nH]c(=O)[n-]1	ZINC000890551313	613409160	/nfs/dbraw/zinc/40/91/60/613409160.db2.gz	ACFVSZPIYGOBRO-SSDOTTSWSA-N	-1	0	254.315	0.779	20	30		CCEDRM
C=C[C@@H](C)O[N-]C(=O)C(=O)Nc1ccc(OC(C)C)nn1	ZINC000846155317	613443211	/nfs/dbraw/zinc/44/32/11/613443211.db2.gz	FYWYCYWJHIGIBP-SECBINFHSA-N	-1	0	294.311	0.825	20	30		CCEDRM
C=C[C@@H](C)O[N-]C(=O)C(=O)Nc1c2c(nn1C)CCC2	ZINC000846154389	613443264	/nfs/dbraw/zinc/44/32/64/613443264.db2.gz	QHWQSYJWUUETKE-MRVPVSSYSA-N	-1	0	278.312	0.470	20	30		CCEDRM
C=C[C@@H](C)O[N-]C(=O)C(=O)Nc1cc(C)cnc1OC	ZINC000846154680	613443318	/nfs/dbraw/zinc/44/33/18/613443318.db2.gz	PFMHFJKLOBZTPW-SECBINFHSA-N	-1	0	279.296	0.959	20	30		CCEDRM
C=C[C@@H](C)O[N-]C(=O)Cn1c(C)cc(O)cc1=O	ZINC000846548213	613443510	/nfs/dbraw/zinc/44/35/10/613443510.db2.gz	SIIBGTHWXXBIPJ-SECBINFHSA-N	-1	0	252.270	0.485	20	30		CCEDRM
C=CC(C)(C)C(=O)[N-]S(=O)(=O)C[C@H](COC)OC	ZINC000853210060	613444426	/nfs/dbraw/zinc/44/44/26/613444426.db2.gz	RCMSSKBBYWYJDV-VIFPVBQESA-N	-1	0	279.358	0.306	20	30		CCEDRM
C=C[C@@H](C)O[N-]C(=O)[C@@H]1CC(c2cn(C)nc2C)=NO1	ZINC000824033607	613447071	/nfs/dbraw/zinc/44/70/71/613447071.db2.gz	PULODNUCGBIDCU-PELKAZGASA-N	-1	0	278.312	0.844	20	30		CCEDRM
C=CC1(S(=O)(=O)[N-]C(=O)COC[C@H]2CCCO2)CC1	ZINC000870833091	613450439	/nfs/dbraw/zinc/45/04/39/613450439.db2.gz	WHUUHHWTQNPBPK-SNVBAGLBSA-N	-1	0	289.353	0.347	20	30		CCEDRM
C=CC1(S(=O)(=O)[N-]C(=O)[C@@H](N)C[C@H](C)CC)CC1	ZINC000901058494	613450882	/nfs/dbraw/zinc/45/08/82/613450882.db2.gz	BKRZPRXUZDCDBQ-ZJUUUORDSA-N	-1	0	274.386	0.915	20	30		CCEDRM
C=CC1(S(=O)(=O)[N-]C(=O)[C@H](CC)NC(C)=O)CC1	ZINC000870839634	613451522	/nfs/dbraw/zinc/45/15/22/613451522.db2.gz	PXDWDIJDZCSLBD-VIFPVBQESA-N	-1	0	274.342	0.066	20	30		CCEDRM
C=CC1(S(=O)(=O)[N-]C(=O)[C@H](OCC)C2CC2)CC1	ZINC000870838992	613451698	/nfs/dbraw/zinc/45/16/98/613451698.db2.gz	BSGQYLFJISDZGT-SNVBAGLBSA-N	-1	0	273.354	0.966	20	30		CCEDRM
C=CC1(S(=O)(=O)[N-]C(=O)[C@H](OC)C(C)C)CC1	ZINC000870835562	613451720	/nfs/dbraw/zinc/45/17/20/613451720.db2.gz	FBAHVAAOVJUDAA-SECBINFHSA-N	-1	0	261.343	0.822	20	30		CCEDRM
C=C[C@@H](O)C(=O)NC[C@H](Cc1cccc(C)c1)C(=O)[O-]	ZINC000909237666	613451732	/nfs/dbraw/zinc/45/17/32/613451732.db2.gz	IRQHGHZRCWBRHK-QWHCGFSZSA-N	-1	0	277.320	0.901	20	30		CCEDRM
C=CC1(S(=O)(=O)[N-]C(=O)[C@]2(C)CCCO2)CC1	ZINC000870833300	613451879	/nfs/dbraw/zinc/45/18/79/613451879.db2.gz	AGRBWTWWFFSZDR-JTQLQIEISA-N	-1	0	259.327	0.720	20	30		CCEDRM
C=CC1(S(=O)(=O)[N-]C(=O)c2cn3c(n2)COCC3)CC1	ZINC000870839421	613452259	/nfs/dbraw/zinc/45/22/59/613452259.db2.gz	KZQGKYRGPBRHHX-UHFFFAOYSA-N	-1	0	297.336	0.192	20	30		CCEDRM
C=CC1CCN(C(=O)N=c2nn[n-]n2CC)CC1	ZINC000888337420	613452275	/nfs/dbraw/zinc/45/22/75/613452275.db2.gz	AYWZDYLJJHUMQA-UHFFFAOYSA-N	-1	0	250.306	0.545	20	30		CCEDRM
C=CC1(S(=O)(=O)[N-]C(=O)c2cnc3n2CCC3)CC1	ZINC000870839318	613452277	/nfs/dbraw/zinc/45/22/77/613452277.db2.gz	YQBJVTOSCCNMQK-UHFFFAOYSA-N	-1	0	281.337	0.608	20	30		CCEDRM
C=CCC1(C(=O)[N-]S(=O)(=O)CC)CCOCC1	ZINC000820059086	613456642	/nfs/dbraw/zinc/45/66/42/613456642.db2.gz	SWUQBKMUPNTXDR-UHFFFAOYSA-N	-1	0	261.343	0.825	20	30		CCEDRM
C=CCC1(C(=O)[O-])CN(S(=O)(=O)CC2(CC#N)CC2)C1	ZINC000906006571	613456984	/nfs/dbraw/zinc/45/69/84/613456984.db2.gz	AUJFSXRMQBAUMW-UHFFFAOYSA-N	-1	0	298.364	0.973	20	30		CCEDRM
C=CCC1(S(=O)(=O)[N-]C(=O)CCCOC)CC1	ZINC000810986750	613460739	/nfs/dbraw/zinc/46/07/39/613460739.db2.gz	LSOUZWYNMDCROP-UHFFFAOYSA-N	-1	0	261.343	0.968	20	30		CCEDRM
C=CCC1(S(=O)(=O)[N-]C(=O)C[C@@H]2CCNC2=O)CC1	ZINC000893034418	613460811	/nfs/dbraw/zinc/46/08/11/613460811.db2.gz	PDFPDCMMTVUNNA-VIFPVBQESA-N	-1	0	286.353	0.067	20	30		CCEDRM
C=CCCCC(=O)N[C@@H](Cc1c[nH]cn1)C(=O)[O-]	ZINC000833373493	613465224	/nfs/dbraw/zinc/46/52/24/613465224.db2.gz	QSKBOWIQTOPBJP-JTQLQIEISA-N	-1	0	251.286	0.878	20	30		CCEDRM
C=C[C@@H]1OCC[C@H]1C(=O)[N-]OCCN1CCCC1=O	ZINC000856043966	613465696	/nfs/dbraw/zinc/46/56/96/613465696.db2.gz	OWBAUHGLFIVHRW-MNOVXSKESA-N	-1	0	268.313	0.248	20	30		CCEDRM
C=CCCCNC(=O)N[C@@H](COCC=C)C(=O)[O-]	ZINC000909122816	613468262	/nfs/dbraw/zinc/46/82/62/613468262.db2.gz	HHVKRBDADXBSLJ-JTQLQIEISA-N	-1	0	256.302	0.908	20	30		CCEDRM
C=CCCCOC(=O)Cn1[n-]cc2c(=O)ncnc1-2	ZINC000735532264	613468602	/nfs/dbraw/zinc/46/86/02/613468602.db2.gz	COWJBRGZNOFLOS-UHFFFAOYSA-N	-1	0	262.269	0.581	20	30		CCEDRM
C=CCCCS(=O)(=O)N1[C@H](C(=O)[O-])C[C@@H]2OCC[C@@H]21	ZINC000926597572	613469378	/nfs/dbraw/zinc/46/93/78/613469378.db2.gz	ZJWJMSPNQAVGIZ-DCAQKATOSA-N	-1	0	289.353	0.599	20	30		CCEDRM
C=CCCC[C@@H](NS(=O)(=O)C[C@H]1CCOC1)C(=O)[O-]	ZINC000903058320	613471520	/nfs/dbraw/zinc/47/15/20/613471520.db2.gz	FVLGOQPBWXMBOK-WDEREUQCSA-N	-1	0	291.369	0.752	20	30		CCEDRM
C=CCCC[C@H](NC(=O)C1(C(=O)[O-])CC1)C(=O)OC	ZINC000902835728	613472643	/nfs/dbraw/zinc/47/26/43/613472643.db2.gz	NQEUAPSZBCPJBC-VIFPVBQESA-N	-1	0	269.297	0.865	20	30		CCEDRM
C=CCCC[C@H](NC(=O)C1=NN(C)C(=O)CC1)C(=O)[O-]	ZINC000910916515	613473343	/nfs/dbraw/zinc/47/33/43/613473343.db2.gz	WYMNNORAGNPHDL-JTQLQIEISA-N	-1	0	281.312	0.520	20	30		CCEDRM
C=CCCC[C@H](NS(=O)(=O)C[C@@H]1CCCO1)C(=O)[O-]	ZINC000903059131	613474680	/nfs/dbraw/zinc/47/46/80/613474680.db2.gz	NGXHVIKUCAHFST-QWRGUYRKSA-N	-1	0	291.369	0.894	20	30		CCEDRM
C=CCCC[C@H](NC(=O)c1cncn1C)C(=O)[O-]	ZINC000910922946	613474793	/nfs/dbraw/zinc/47/47/93/613474793.db2.gz	PDMDDQOSHVNDSV-VIFPVBQESA-N	-1	0	251.286	0.959	20	30		CCEDRM
C=C[C@@](C)(O)C(=O)NCCc1ccc(C(=O)[O-])cc1	ZINC000908601676	613478449	/nfs/dbraw/zinc/47/84/49/613478449.db2.gz	DYLQEPILQPAPOC-CQSZACIVSA-N	-1	0	263.293	0.981	20	30		CCEDRM
C=C[C@H](C)NC(=O)N1CCO[C@@H]([C@H](C)NC(=O)[O-])C1	ZINC000823491611	613483059	/nfs/dbraw/zinc/48/30/59/613483059.db2.gz	YKFOVQRRWGXHKM-LPEHRKFASA-N	-1	0	271.317	0.627	20	30		CCEDRM
C=C[C@H](C)O[N-]C(=O)C(=O)Nc1cnn(CC2CC2)c1	ZINC000846156200	613483750	/nfs/dbraw/zinc/48/37/50/613483750.db2.gz	ZRNGNXFMXDKYBF-VIFPVBQESA-N	-1	0	278.312	0.854	20	30		CCEDRM
C=C[C@H](O)C(=O)N(CCc1ccccc1)CC(=O)[O-]	ZINC000909514627	613493547	/nfs/dbraw/zinc/49/35/47/613493547.db2.gz	BAFOFJZGUULEAN-LBPRGKRZSA-N	-1	0	263.293	0.689	20	30		CCEDRM
C=C[C@H](O)C(=O)N1CCc2c(C(=O)[O-])ccc(OC)c2C1	ZINC000910384935	613494900	/nfs/dbraw/zinc/49/49/00/613494900.db2.gz	KKOITRYVXFYDLY-LBPRGKRZSA-N	-1	0	291.303	0.825	20	30		CCEDRM
C=C[C@H](O)C(=O)N1CCOc2ccccc2[C@H]1C(=O)[O-]	ZINC000911058140	613495067	/nfs/dbraw/zinc/49/50/67/613495067.db2.gz	UJJBGLCACTYICR-JQWIXIFHSA-N	-1	0	277.276	0.580	20	30		CCEDRM
C=C[C@H](O)C(=O)N[C@H](C(=O)[O-])[C@@H]1CCC[C@H](OC)C1	ZINC000909911970	613497438	/nfs/dbraw/zinc/49/74/38/613497438.db2.gz	FOOCWYUWTGNVAH-RCWTZXSCSA-N	-1	0	271.313	0.308	20	30		CCEDRM
C=CCCS(=O)(=O)NCC[C@@H](C)NC(=O)[O-]	ZINC000823501183	613581134	/nfs/dbraw/zinc/58/11/34/613581134.db2.gz	RUOAIFBNIVHBCY-MRVPVSSYSA-N	-1	0	250.320	0.528	20	30		CCEDRM
C=C[C@](C)(CC)C(=O)N1CC(n2cc(C(=O)[O-])nn2)C1	ZINC000909506053	613501202	/nfs/dbraw/zinc/50/12/02/613501202.db2.gz	KMSZTMOPRPQNBO-CYBMUJFWSA-N	-1	0	278.312	0.962	20	30		CCEDRM
C=C[C@](C)(O)C(=O)N[C@H](CC(F)(F)F)C(=O)[O-]	ZINC000909667633	613508110	/nfs/dbraw/zinc/50/81/10/613508110.db2.gz	VWRSYQROVWPYHS-XRGYYRRGSA-N	-1	0	255.192	0.445	20	30		CCEDRM
CC#CCN(C)C(=O)COCc1ocnc1C(=O)[O-]	ZINC000911704253	613523522	/nfs/dbraw/zinc/52/35/22/613523522.db2.gz	ULTZEWLNYCIPQR-UHFFFAOYSA-N	-1	0	266.253	0.371	20	30		CCEDRM
CC(=O)N1CC[C@H](CN(C)C(=O)[C@](C)(C#N)CC(=O)[O-])C1	ZINC000819731013	613523878	/nfs/dbraw/zinc/52/38/78/613523878.db2.gz	CVVQIZQEXSVWFJ-RISCZKNCSA-N	-1	0	295.339	0.318	20	30		CCEDRM
C=CCCOCCNC(=O)[C@@H](NC(=O)[O-])C(C)C	ZINC000833375035	613575486	/nfs/dbraw/zinc/57/54/86/613575486.db2.gz	SPNKFABNPPVNDO-JTQLQIEISA-N	-1	0	258.318	0.988	20	30		CCEDRM
C=CCCOCCNC(=O)N1C[C@@H](F)C[C@H]1C(=O)[O-]	ZINC000909114766	613575229	/nfs/dbraw/zinc/57/52/29/613575229.db2.gz	HNIKHRZLPZVCSU-UWVGGRQHSA-N	-1	0	274.292	0.786	20	30		CCEDRM
C=CCCO[N-]C(=O)[C@@H]1[C@H]2CC[C@]3(COC(=O)[C@H]13)O2	ZINC000862217672	613577233	/nfs/dbraw/zinc/57/72/33/613577233.db2.gz	NQXZXCVFCCHZGM-ORXSELOVSA-N	-1	0	267.281	0.331	20	30		CCEDRM
C=CCCO[C@H](C)C(=O)N1C[C@H](O)C[C@H]1C(=O)[O-]	ZINC000833373942	613578915	/nfs/dbraw/zinc/57/89/15/613578915.db2.gz	KAROWSLCXCCUGA-BBBLOLIVSA-N	-1	0	257.286	0.014	20	30		CCEDRM
C=CCCS(=O)(=O)N1CC[C@@](F)(C(=O)[O-])C1	ZINC000825676043	613580738	/nfs/dbraw/zinc/58/07/38/613580738.db2.gz	PYMIBKRIFBKZJF-VIFPVBQESA-N	-1	0	251.279	0.391	20	30		CCEDRM
C=CCCS(=O)(=O)N[C@]1(CC(=O)[O-])CCCOC1	ZINC000819107323	613582294	/nfs/dbraw/zinc/58/22/94/613582294.db2.gz	HTIHEKWJMPDNLN-NSHDSACASA-N	-1	0	277.342	0.506	20	30		CCEDRM
C=CCC[C@@H](NC(=O)[C@H](O)C1CCOCC1)C(=O)[O-]	ZINC000909714529	613585162	/nfs/dbraw/zinc/58/51/62/613585162.db2.gz	YYQPCXOSESNUTG-GHMZBOCLSA-N	-1	0	271.313	0.310	20	30		CCEDRM
C=CCC[C@H](NC(=O)NCCn1cnnc1CC)C(=O)[O-]	ZINC000837298392	613589893	/nfs/dbraw/zinc/58/98/93/613589893.db2.gz	MHAFRLGGFMPDRH-JTQLQIEISA-N	-1	0	295.343	0.559	20	30		CCEDRM
C=CCC[C@H](NC(=O)c1cnc2n1CCOC2)C(=O)[O-]	ZINC000909712990	613590448	/nfs/dbraw/zinc/59/04/48/613590448.db2.gz	CNOHIIKBJZDBKM-VIFPVBQESA-N	-1	0	279.296	0.563	20	30		CCEDRM
C=CCN(CC(=O)[O-])C(=O)CCCn1cccn1	ZINC000909515584	613641875	/nfs/dbraw/zinc/64/18/75/613641875.db2.gz	ZNANLAFQZXQKRB-UHFFFAOYSA-N	-1	0	251.286	0.763	20	30		CCEDRM
C=CCN(CC(=O)[O-])C(=O)Cn1nnc2c1CCCC2	ZINC000909517011	613642337	/nfs/dbraw/zinc/64/23/37/613642337.db2.gz	XLNZQQUNHGZNOD-UHFFFAOYSA-N	-1	0	278.312	0.256	20	30		CCEDRM
C=CCN(CC(=O)[O-])C(=O)NCc1ccn(CC)n1	ZINC000909001162	613642443	/nfs/dbraw/zinc/64/24/43/613642443.db2.gz	YGYJVTZIQBSHIV-UHFFFAOYSA-N	-1	0	266.301	0.685	20	30		CCEDRM
C=CCN(CC(=O)[O-])C(=O)N[C@@H](C)c1ccnn1C	ZINC000864553326	613642631	/nfs/dbraw/zinc/64/26/31/613642631.db2.gz	NWJKEKJJNLOQBW-VIFPVBQESA-N	-1	0	266.301	0.763	20	30		CCEDRM
C=CCN(CC(=O)[O-])C(=O)NCCCn1cccn1	ZINC000127721628	613642710	/nfs/dbraw/zinc/64/27/10/613642710.db2.gz	VAOADIADSUMLEO-UHFFFAOYSA-N	-1	0	266.301	0.555	20	30		CCEDRM
C=CCN(CC(=O)[O-])C(=O)NCCC1(O)CCC1	ZINC000909139659	613642742	/nfs/dbraw/zinc/64/27/42/613642742.db2.gz	DRBXAOWDANLFKU-UHFFFAOYSA-N	-1	0	256.302	0.574	20	30		CCEDRM
C=CCN(CC(=O)[O-])C(=O)NCCCn1ccnc1C	ZINC000908812557	613642776	/nfs/dbraw/zinc/64/27/76/613642776.db2.gz	QUOMQANFQLQIPR-UHFFFAOYSA-N	-1	0	280.328	0.864	20	30		CCEDRM
C=CCN(CC(=O)[O-])C(=O)c1cn(C[C@@H]2CCOC2)nn1	ZINC000909515606	613643681	/nfs/dbraw/zinc/64/36/81/613643681.db2.gz	ZZQYNPUOGYRVCK-JTQLQIEISA-N	-1	0	294.311	0.027	20	30		CCEDRM
C=CCN(CC(=O)[O-])C(=O)c1ccnn1C1CCOCC1	ZINC000909516675	613643717	/nfs/dbraw/zinc/64/37/17/613643717.db2.gz	MXODXRXPRDUREL-UHFFFAOYSA-N	-1	0	293.323	0.947	20	30		CCEDRM
C=CCN(CC(=O)[O-])C(=O)c1cn(C)nc1OC	ZINC000909516947	613643720	/nfs/dbraw/zinc/64/37/20/613643720.db2.gz	USYIWZKJUFEUTM-UHFFFAOYSA-N	-1	0	253.258	0.142	20	30		CCEDRM
CC#CCS(=O)(=O)[N-]C(=O)C[C@@H](C)n1ccnc1	ZINC000845543555	613646279	/nfs/dbraw/zinc/64/62/79/613646279.db2.gz	BOSBCRCLTRPBHT-SNVBAGLBSA-N	-1	0	269.326	0.304	20	30		CCEDRM
CC#CCS(=O)(=O)[N-]C(=O)[C@@H](OC)[C@@H](C)CC	ZINC000810769712	613646830	/nfs/dbraw/zinc/64/68/30/613646830.db2.gz	DJMHGFZXBQWXNB-UWVGGRQHSA-N	-1	0	261.343	0.517	20	30		CCEDRM
CC#CCS(=O)(=O)[N-]C(=O)[C@H](C)[C@@H](C)COC	ZINC000813094405	613647002	/nfs/dbraw/zinc/64/70/02/613647002.db2.gz	LDPSKJCDGFRHCM-VHSXEESVSA-N	-1	0	261.343	0.374	20	30		CCEDRM
CC#CCS(=O)(=O)[N-]C(=O)[C@@]1(C)CCCOC1	ZINC000810774472	613647039	/nfs/dbraw/zinc/64/70/39/613647039.db2.gz	MYBIGCFKRBRIPS-NSHDSACASA-N	-1	0	259.327	0.272	20	30		CCEDRM
CC#CCS(=O)(=O)[N-]C(=O)c1ccc(C)nc1OC	ZINC000810773006	613647503	/nfs/dbraw/zinc/64/75/03/613647503.db2.gz	NSAPKGGEVWKUMF-UHFFFAOYSA-N	-1	0	282.321	0.482	20	30		CCEDRM
C=CCN(CN1C[C@@H]2CN(C(=O)[O-])CCN2C1=O)C1CC1	ZINC000833788035	613650987	/nfs/dbraw/zinc/65/09/87/613650987.db2.gz	LMAKGFGFCUTDGB-LBPRGKRZSA-N	-1	0	294.355	0.694	20	30		CCEDRM
CC(=NOCc1cccnc1)c1cn(CC(=O)[O-])nn1	ZINC000833386948	613657415	/nfs/dbraw/zinc/65/74/15/613657415.db2.gz	DHJOQOZABMHSDR-UHFFFAOYSA-N	-1	0	275.268	0.699	20	30		CCEDRM
CC(=O)N1CCCN(C(=O)[C@](C)(C#N)CC(=O)[O-])CC1	ZINC000819731246	613841595	/nfs/dbraw/zinc/84/15/95/613841595.db2.gz	GDFSJXALNXNEKJ-ZDUSSCGKSA-N	-1	0	281.312	0.072	20	30		CCEDRM
C=CCNC(=O)CN1CCC[C@H]1c1ncc(OC)c(=O)[nH]1	ZINC000934278002	613845362	/nfs/dbraw/zinc/84/53/62/613845362.db2.gz	QVSIZGUTYOAEJG-JTQLQIEISA-N	-1	0	292.339	0.630	20	30		CCEDRM
C=CCNC(=O)CNC(=O)CCc1ccc(C(=O)[O-])cc1	ZINC000833376739	613845868	/nfs/dbraw/zinc/84/58/68/613845868.db2.gz	AATRCWCGDGKERV-UHFFFAOYSA-N	-1	0	290.319	0.736	20	30		CCEDRM
C=CCNC(=O)CNC(=O)Nc1cc(C(=O)[O-])cs1	ZINC000833376869	613846509	/nfs/dbraw/zinc/84/65/09/613846509.db2.gz	GIPHUZFPPDKOFS-UHFFFAOYSA-N	-1	0	283.309	0.870	20	30		CCEDRM
C=CCNC(=O)[C@H](C#N)C(=O)C1CCC(C(=O)[O-])CC1	ZINC000833376970	613854515	/nfs/dbraw/zinc/85/45/15/613854515.db2.gz	HSRGZAVHAMMCSB-VQXHTEKXSA-N	-1	0	278.308	0.888	20	30		CCEDRM
C=CCNC(=O)[C@H](C#N)C(=O)[C@@H]1CCC[C@H](C(=O)[O-])C1	ZINC000825687523	613854666	/nfs/dbraw/zinc/85/46/66/613854666.db2.gz	NXGABMRQTKLFAF-OUAUKWLOSA-N	-1	0	278.308	0.888	20	30		CCEDRM
C=CCNC(=O)[C@H](C)N1CC[C@@H](N(C)C(=O)[O-])C1	ZINC000823507357	613855116	/nfs/dbraw/zinc/85/51/16/613855116.db2.gz	WCQUICGIEAIWPS-VHSXEESVSA-N	-1	0	255.318	0.361	20	30		CCEDRM
C=CCOCC(=O)N1CCC[C@@H](n2cc(C(=O)[O-])nn2)C1	ZINC000909856855	613879120	/nfs/dbraw/zinc/87/91/20/613879120.db2.gz	SYBDVWWTPLMWGS-SNVBAGLBSA-N	-1	0	294.311	0.342	20	30		CCEDRM
C=CCOCC(=O)N1CC[C@@H](C(=O)[O-])C[C@@H]1C(=O)OC	ZINC000833375546	613879152	/nfs/dbraw/zinc/87/91/52/613879152.db2.gz	DVNDJOKWUIGBQH-NXEZZACHSA-N	-1	0	285.296	0.054	20	30		CCEDRM
C=CCOCC(=O)N1CCc2occc2[C@@H]1C(=O)[O-]	ZINC000910202047	613879168	/nfs/dbraw/zinc/87/91/68/613879168.db2.gz	DIIWKCRPOWCENH-GFCCVEGCSA-N	-1	0	265.265	0.993	20	30		CCEDRM
C=CCOCCCNC(=O)C(=O)N1CC[C@@](C)(C(=O)[O-])C1	ZINC000851683377	613879957	/nfs/dbraw/zinc/87/99/57/613879957.db2.gz	DLBDJXKIWRWAKR-CQSZACIVSA-N	-1	0	298.339	0.019	20	30		CCEDRM
C=CCOC[C@@H](NC(=O)C1(SC)CC1)C(=O)[O-]	ZINC000909769535	613881515	/nfs/dbraw/zinc/88/15/15/613881515.db2.gz	ACJLYPSBFYCPGE-MRVPVSSYSA-N	-1	0	259.327	0.654	20	30		CCEDRM
C=CCOC[C@@H]([N-]C(=O)C(F)(F)C(F)F)C(=O)OC	ZINC000797761122	613881603	/nfs/dbraw/zinc/88/16/03/613881603.db2.gz	DHDNHRFMKYXNIN-ZCFIWIBFSA-N	-1	0	287.209	0.747	20	30		CCEDRM
C=CCOC[C@@H](NC(=O)C[C@@H](C)COC)C(=O)[O-]	ZINC000909770911	613881672	/nfs/dbraw/zinc/88/16/72/613881672.db2.gz	MPYHORFVUZEJCZ-NXEZZACHSA-N	-1	0	259.302	0.431	20	30		CCEDRM
C=CCOC[C@@H](NC(=O)CN(C)c1ccccc1)C(=O)[O-]	ZINC000909771863	613881717	/nfs/dbraw/zinc/88/17/17/613881717.db2.gz	SHLWMWBFYHDTRN-CYBMUJFWSA-N	-1	0	292.335	0.895	20	30		CCEDRM
C=CCOC[C@H](NC(=O)C1(O)CCSCC1)C(=O)[O-]	ZINC000909772895	613882218	/nfs/dbraw/zinc/88/22/18/613882218.db2.gz	XREHJTANYPSETL-VIFPVBQESA-N	-1	0	289.353	0.017	20	30		CCEDRM
C=CCOC[C@H](NC(=O)NC[C@@H]1CC1(C)C)C(=O)[O-]	ZINC000908989316	613882300	/nfs/dbraw/zinc/88/23/00/613882300.db2.gz	ODQBLXHSPPLFIM-UWVGGRQHSA-N	-1	0	270.329	0.988	20	30		CCEDRM
C=CCOC[C@H](NC(=O)NC[C@H]1C[C@H](OC)C1)C(=O)[O-]	ZINC000905568954	613882301	/nfs/dbraw/zinc/88/23/01/613882301.db2.gz	PSJVIKAEOROBBD-DCAQKATOSA-N	-1	0	286.328	0.366	20	30		CCEDRM
C=CCOC[C@H](NC(=O)N[C@@H]1CC12CCC2)C(=O)[O-]	ZINC000909041670	613882314	/nfs/dbraw/zinc/88/23/14/613882314.db2.gz	SLWMEDSINKBHGB-VHSXEESVSA-N	-1	0	268.313	0.884	20	30		CCEDRM
C=CCOC[C@H](NC(=O)NCc1ccon1)C(=O)[O-]	ZINC000797725393	613882392	/nfs/dbraw/zinc/88/23/92/613882392.db2.gz	ULWLTVVHPFRMJJ-VIFPVBQESA-N	-1	0	269.257	0.130	20	30		CCEDRM
C=CCOC[C@H](NC(=O)[C@@H]1CC12CC(OCC)C2)C(=O)[O-]	ZINC000864146770	613882463	/nfs/dbraw/zinc/88/24/63/613882463.db2.gz	XUNRWMNXORTMLT-WVIDZAQPSA-N	-1	0	297.351	0.964	20	30		CCEDRM
C=CCOC[C@H](NC(=O)[C@@H](CC(C)C)OC)C(=O)[O-]	ZINC000909772566	613882499	/nfs/dbraw/zinc/88/24/99/613882499.db2.gz	RYFPGUJQTCTRPN-WDEREUQCSA-N	-1	0	273.329	0.820	20	30		CCEDRM
C=CCOC[C@H](NC(=O)[C@H](C)c1ccncc1)C(=O)[O-]	ZINC000909771504	613882606	/nfs/dbraw/zinc/88/26/06/613882606.db2.gz	NQYWDMXTZXJNQU-PWSUYJOCSA-N	-1	0	278.308	0.957	20	30		CCEDRM
C=CCOC[C@H](NC(=O)c1cn(C)nc1C1CC1)C(=O)[O-]	ZINC000909769621	613882631	/nfs/dbraw/zinc/88/26/31/613882631.db2.gz	AVDDAMQWEOGNPD-NSHDSACASA-N	-1	0	293.323	0.683	20	30		CCEDRM
C=CCO[N-]C(=O)CN1C(=O)N(C)C2(CCCCC2)C1=O	ZINC000837042767	613883124	/nfs/dbraw/zinc/88/31/24/613883124.db2.gz	FJZZHLFLJXTDCC-UHFFFAOYSA-N	-1	0	295.339	0.817	20	30		CCEDRM
C=CCO[N-]C(=O)[C@@H]1CCCN1S(=O)(=O)CCCC	ZINC000837045334	613884468	/nfs/dbraw/zinc/88/44/68/613884468.db2.gz	ZRPNODXTSMBVOG-NSHDSACASA-N	-1	0	290.385	0.815	20	30		CCEDRM
C=CCO[N-]C(=O)[C@H]1CC(=O)N(C)[C@H]1c1cccnc1	ZINC000837046380	613884477	/nfs/dbraw/zinc/88/44/77/613884477.db2.gz	HROFJSGWQRDACI-AAEUAGOBSA-N	-1	0	275.308	0.835	20	30		CCEDRM
C=CCOc1ccc(CC(=O)NCC(=O)[N-]OC)cc1	ZINC000832749059	613884765	/nfs/dbraw/zinc/88/47/65/613884765.db2.gz	MIHABZMRCCDQKF-UHFFFAOYSA-N	-1	0	278.308	0.588	20	30		CCEDRM
C=CCS(=O)(=O)[N-]C(=O)CCc1c(C)nn(C)c1C	ZINC000132751331	613886084	/nfs/dbraw/zinc/88/60/84/613886084.db2.gz	CZESSZZTQALVND-UHFFFAOYSA-N	-1	0	285.369	0.602	20	30		CCEDRM
C=CCS(=O)(=O)[N-]C(=O)[C@H]1CC[C@H](C(=O)OC)CC1	ZINC000797955425	613886259	/nfs/dbraw/zinc/88/62/59/613886259.db2.gz	ORYCVRXGGUHCDR-MGCOHNPYSA-N	-1	0	289.353	0.598	20	30		CCEDRM
C=CCS(=O)(=O)[N-]C(=O)[C@]1(CC(C)C)CCNC1=O	ZINC000870257863	613886282	/nfs/dbraw/zinc/88/62/82/613886282.db2.gz	DYVXIXQSECBQES-LBPRGKRZSA-N	-1	0	288.369	0.171	20	30		CCEDRM
C=CCS(=O)(=O)[N-]C(=O)c1cncc(N2CCCC2)n1	ZINC000870258150	613886312	/nfs/dbraw/zinc/88/63/12/613886312.db2.gz	HXLLZHJLCXJQIN-UHFFFAOYSA-N	-1	0	296.352	0.322	20	30		CCEDRM
CC(C)NC(=O)C(C#N)=C([O-])c1c(Cl)cnn1C	ZINC000850761729	613933916	/nfs/dbraw/zinc/93/39/16/613933916.db2.gz	RFPNPEXRKVEWRH-SSDOTTSWSA-N	-1	0	268.704	0.921	20	30		CCEDRM
CC(C)(C)[C@H](C#N)NC(=O)COCCNC(=O)[O-]	ZINC000823760156	614032582	/nfs/dbraw/zinc/03/25/82/614032582.db2.gz	PBWYJDHNWJXBNN-QMMMGPOBSA-N	-1	0	257.290	0.325	20	30		CCEDRM
CC(C)(C)c1noc(CN(CC#N)CC(=O)[O-])n1	ZINC000826528006	614058408	/nfs/dbraw/zinc/05/84/08/614058408.db2.gz	CDXDDCHHSPMSKU-UHFFFAOYSA-N	-1	0	252.274	0.777	20	30		CCEDRM
CC(C)CN(C(=O)CN(CC#N)CC(=O)[O-])C1CC1	ZINC000826865487	614063499	/nfs/dbraw/zinc/06/34/99/614063499.db2.gz	OSUXCGJXCADTKM-UHFFFAOYSA-N	-1	0	267.329	0.544	20	30		CCEDRM
CC(=O)N[C@H]1CCCN(C(=O)[C@@](C)(C#N)CC(=O)[O-])C1	ZINC000819737583	614127073	/nfs/dbraw/zinc/12/70/73/614127073.db2.gz	XRPFETGNRWLICV-GXFFZTMASA-N	-1	0	281.312	0.118	20	30		CCEDRM
CC(C)[C@@](C)(C#N)NC(=O)Cn1ccnc1-c1nn[nH]n1	ZINC000824184057	614180936	/nfs/dbraw/zinc/18/09/36/614180936.db2.gz	DALALBJEAQUOTM-GFCCVEGCSA-N	-1	0	288.315	0.118	20	30		CCEDRM
CC(C)(O)CONC(=O)c1ccc(C#N)c([O-])c1	ZINC000839744905	614198156	/nfs/dbraw/zinc/19/81/56/614198156.db2.gz	IITSMKQIJYELOZ-UHFFFAOYSA-N	-1	0	250.254	0.696	20	30		CCEDRM
CC(C)C[C@H](C#N)NC(=O)COC1CN(C(=O)[O-])C1	ZINC000824170838	614210122	/nfs/dbraw/zinc/21/01/22/614210122.db2.gz	SRVGKAOITPZLBM-SECBINFHSA-N	-1	0	269.301	0.420	20	30		CCEDRM
CC(C)Cc1noc(CN2CCN(C(=O)[O-])C[C@@H]2C#N)n1	ZINC000824311272	614234017	/nfs/dbraw/zinc/23/40/17/614234017.db2.gz	LVNWZARXHXGOFK-JTQLQIEISA-N	-1	0	293.327	0.956	20	30		CCEDRM
CC(C)[C@H](NC(=O)[C@H](O)c1ccc(C#N)cc1)C(=O)[O-]	ZINC000820049511	614236241	/nfs/dbraw/zinc/23/62/41/614236241.db2.gz	ZTKZFLIQFXJBJP-NWDGAFQWSA-N	-1	0	276.292	0.817	20	30		CCEDRM
CC(C)Cn1cnc(S(=O)(=O)[N-]C(=O)[C@@H](C)CC#N)c1	ZINC000850938455	614243887	/nfs/dbraw/zinc/24/38/87/614243887.db2.gz	UHVISVGXEMLSHV-JTQLQIEISA-N	-1	0	298.368	0.894	20	30		CCEDRM
CC(C)[C@](C)(C#N)NC(=O)CN(CC(=O)[O-])C1CC1	ZINC000826676408	614285999	/nfs/dbraw/zinc/28/59/99/614285999.db2.gz	HZJLKCFBPKTLJW-ZDUSSCGKSA-N	-1	0	267.329	0.590	20	30		CCEDRM
CC(C)[C@](C)(C#N)NC(=O)Cn1cc(C(=O)[O-])nn1	ZINC000826676434	614286509	/nfs/dbraw/zinc/28/65/09/614286509.db2.gz	ISUGJHRZOPSZHV-NSHDSACASA-N	-1	0	265.273	0.031	20	30		CCEDRM
CC(C)(C#N)CS(=O)(=O)[N-]C(=O)CC1(C#N)CC1	ZINC000816005296	614286815	/nfs/dbraw/zinc/28/68/15/614286815.db2.gz	HHJJHHORBFUQAV-UHFFFAOYSA-N	-1	0	269.326	0.676	20	30		CCEDRM
CC(C)(C#N)CS(=O)(=O)[N-]C(=O)COC1CC1	ZINC000892931271	614287646	/nfs/dbraw/zinc/28/76/46/614287646.db2.gz	LAOKLBNURLBZOW-UHFFFAOYSA-N	-1	0	260.315	0.161	20	30		CCEDRM
CC(C)C(=O)N1CCN(C(=O)[C@@](C)(C#N)CC(=O)[O-])CC1	ZINC000819955274	614368816	/nfs/dbraw/zinc/36/88/16/614368816.db2.gz	QBACNCYRKDGWHD-CQSZACIVSA-N	-1	0	295.339	0.318	20	30		CCEDRM
CCCCO[C@@H](C)C(=O)[N-]S(=O)(=O)CCC#N	ZINC000835413066	614454397	/nfs/dbraw/zinc/45/43/97/614454397.db2.gz	YETPMPWAZSFYLT-VIFPVBQESA-N	-1	0	262.331	0.551	20	30		CCEDRM
CCC(C#N)(CC)C(=O)[N-]S(=O)(=O)c1cc[nH]n1	ZINC000860690456	614471117	/nfs/dbraw/zinc/47/11/17/614471117.db2.gz	NKDIYLHKWQXDLY-UHFFFAOYSA-N	-1	0	270.314	0.545	20	30		CCEDRM
CCC(CC)(CO)CNC(=O)[C@@](C)(C#N)CC(=O)[O-]	ZINC000820273186	614527728	/nfs/dbraw/zinc/52/77/28/614527728.db2.gz	WWTNPXZMCFNQAA-GFCCVEGCSA-N	-1	0	270.329	0.906	20	30		CCEDRM
CCC1(CC)C(=O)NCCC1N=Nc1nnc(C)c(=O)[n-]1	ZINC000819806546	614678514	/nfs/dbraw/zinc/67/85/14/614678514.db2.gz	QKZAKDGDHPPHNK-UHFFFAOYSA-N	-1	0	292.343	0.980	20	30		CCEDRM
CC1(C)C[C@H](S(=O)(=O)[N-]C(=O)CCCC#N)CO1	ZINC000861138392	614782317	/nfs/dbraw/zinc/78/23/17/614782317.db2.gz	GDUKZBSXILCNFM-VIFPVBQESA-N	-1	0	274.342	0.694	20	30		CCEDRM
CCCCCNC(=O)C(C#N)=C([O-])c1cnnn1CC	ZINC000815905389	614923284	/nfs/dbraw/zinc/92/32/84/614923284.db2.gz	LOXBKVMMDYYEOU-JTQLQIEISA-N	-1	0	277.328	0.927	20	30		CCEDRM
CCN(CC)C(=O)CN(C)C(=O)[C@@](C)(C#N)CC(=O)[O-]	ZINC000820338625	614964397	/nfs/dbraw/zinc/96/43/97/614964397.db2.gz	GKNQXAQTNHJBEI-CYBMUJFWSA-N	-1	0	283.328	0.318	20	30		CCEDRM
CCCS(=O)(=O)[N-]C(=O)c1ccc(C#N)n1C	ZINC000835170997	614967484	/nfs/dbraw/zinc/96/74/84/614967484.db2.gz	FYERLWUVBIRIMS-UHFFFAOYSA-N	-1	0	255.299	0.366	20	30		CCEDRM
CCC[C@@H](NC(=O)[O-])C(=O)NC[C@@H]1CCCN(CC#N)C1	ZINC000826752419	614991116	/nfs/dbraw/zinc/99/11/16/614991116.db2.gz	URCIUHWNNWQIHH-NWDGAFQWSA-N	-1	0	296.371	0.774	20	30		CCEDRM
CCNc1nc(N=NC2CC(C(=O)[O-])C2)nc(NCC)n1	ZINC000814725678	615140939	/nfs/dbraw/zinc/14/09/39/615140939.db2.gz	MTVSJAYBIWTGCU-UHFFFAOYSA-N	-1	0	293.331	0.998	20	30		CCEDRM
CCOC(=O)C(C)(C)O[N-]C(=O)CSCC#N	ZINC000855132041	615151422	/nfs/dbraw/zinc/15/14/22/615151422.db2.gz	FBBYXPVHXQLSCV-UHFFFAOYSA-N	-1	0	260.315	0.633	20	30		CCEDRM
CCOC(=O)c1cc(NC(=O)[C@](C)(C#N)CC(=O)[O-])[nH]n1	ZINC000820368990	615177865	/nfs/dbraw/zinc/17/78/65/615177865.db2.gz	DQSHKQFSKQOAPU-LBPRGKRZSA-N	-1	0	294.267	0.529	20	30		CCEDRM
CCOCC(=O)[N-]S(=O)(=O)c1cc(C#N)ccc1C	ZINC000114988989	615232409	/nfs/dbraw/zinc/23/24/09/615232409.db2.gz	JJPUQGVFTWCNSB-UHFFFAOYSA-N	-1	0	282.321	0.708	20	30		CCEDRM
CCOCCS(=O)(=O)[N-]C(=O)c1cccc(C#N)c1	ZINC000111980337	615297315	/nfs/dbraw/zinc/29/73/15/615297315.db2.gz	AQNMBFHZXVTUSE-UHFFFAOYSA-N	-1	0	282.321	0.654	20	30		CCEDRM
CCO[N-]C(=O)CNC(=O)N(C)Cc1ccc(C#N)cc1	ZINC000845553236	615359448	/nfs/dbraw/zinc/35/94/48/615359448.db2.gz	UIJVVNIDTSKARX-UHFFFAOYSA-N	-1	0	290.323	0.767	20	30		CCEDRM
CC[C@@H](C#N)[N-]S(=O)(=O)N=S(=O)(CC)CC	ZINC000903103374	615366235	/nfs/dbraw/zinc/36/62/35/615366235.db2.gz	ZUQIFHMJZFEQCV-QMMMGPOBSA-N	-1	0	267.376	0.631	20	30		CCEDRM
CCO[N-]C(=O)CNc1c(C#N)cccc1[N+](=O)[O-]	ZINC000845717267	615376482	/nfs/dbraw/zinc/37/64/82/615376482.db2.gz	KCYAZMSDUZPNDO-UHFFFAOYSA-N	-1	0	264.241	0.946	20	30		CCEDRM
CCO[C@@H]1CC(=NNCC(=O)[O-])[C@H]1n1cccn1	ZINC000834982811	615412336	/nfs/dbraw/zinc/41/23/36/615412336.db2.gz	LJMDKOVDNOPRAF-MWLCHTKSSA-N	-1	0	252.274	0.263	20	30		CCEDRM
CCO[C@@H]1C[C@@H]1C(=O)[N-]S(=O)(=O)CC1(C#N)CC1	ZINC000793205102	615439440	/nfs/dbraw/zinc/43/94/40/615439440.db2.gz	WLJDKYVAINXRRG-DTWKUNHWSA-N	-1	0	272.326	0.161	20	30		CCEDRM
CC[C@@H](C)[C@@H](OC)C(=O)[N-]S(=O)(=O)CCC#N	ZINC000835409427	615467346	/nfs/dbraw/zinc/46/73/46/615467346.db2.gz	WWOYZBJGJOHLNL-RKDXNWHRSA-N	-1	0	262.331	0.407	20	30		CCEDRM
CC[C@@H](CNS(=O)(=O)N(C)[C@@H](C)CC#N)C(=O)[O-]	ZINC000844783843	615484445	/nfs/dbraw/zinc/48/44/45/615484445.db2.gz	GGMBEUZKQGXPBF-IUCAKERBSA-N	-1	0	277.346	0.166	20	30		CCEDRM
CCOc1cncc(C=Nn2c(=O)c(C)n[n-]c2=S)c1	ZINC000857205731	615521684	/nfs/dbraw/zinc/52/16/84/615521684.db2.gz	JZBVQJMDQBRNDW-UHFFFAOYSA-N	-1	0	291.336	0.911	20	30		CCEDRM
CC[C@@H](NC(=O)C(=O)Nc1ccc(C#N)cc1)C(=O)[O-]	ZINC000818266735	615524656	/nfs/dbraw/zinc/52/46/56/615524656.db2.gz	XWEAUKLKPRFHKH-SNVBAGLBSA-N	-1	0	275.264	0.476	20	30		CCEDRM
CC[C@@H](NN=C1CCCc2c1cnn2CCO)C(=O)[O-]	ZINC000884470994	615536119	/nfs/dbraw/zinc/53/61/19/615536119.db2.gz	IEMOGPTXLVGXET-SNVBAGLBSA-N	-1	0	280.328	0.369	20	30		CCEDRM
CC[C@@H](NN=Cc1ccc(C(=O)OC)n1C)C(=O)[O-]	ZINC000814936656	615536389	/nfs/dbraw/zinc/53/63/89/615536389.db2.gz	FFGYPDITSYUMQP-SECBINFHSA-N	-1	0	267.285	0.598	20	30		CCEDRM
CC[C@@H](O)CNN=Cc1ccc([N+](=O)[O-])c([O-])c1	ZINC000811655193	615542315	/nfs/dbraw/zinc/54/23/15/615542315.db2.gz	HLUWYCLWLCNWHK-SECBINFHSA-N	-1	0	253.258	0.995	20	30		CCEDRM
CC[C@H](C(=O)[O-])N(C)C(=O)Cc1ccc(C#N)nc1	ZINC000902018238	615612434	/nfs/dbraw/zinc/61/24/34/615612434.db2.gz	ALLMCTHNKGJHAA-LLVKDONJSA-N	-1	0	261.281	0.817	20	30		CCEDRM
CC[C@H](C)OCC(=O)[N-]S(=O)(=O)c1cncc(C#N)c1	ZINC000813979963	615681185	/nfs/dbraw/zinc/68/11/85/615681185.db2.gz	LGNUMDFMWIITMV-VIFPVBQESA-N	-1	0	297.336	0.573	20	30		CCEDRM
CCn1ncn(N=Cc2cc([O-])ccc2[N+](=O)[O-])c1=O	ZINC000814235095	615729291	/nfs/dbraw/zinc/72/92/91/615729291.db2.gz	SNVWMYBBKYUCRC-UHFFFAOYSA-N	-1	0	277.240	0.561	20	30		CCEDRM
CC[C@H](CS(=O)(=O)[N-]c1c(C#N)c(C)nn1C)OC	ZINC000903173704	615745049	/nfs/dbraw/zinc/74/50/49/615745049.db2.gz	UNXTWCAJXJMTCU-SECBINFHSA-N	-1	0	286.357	0.767	20	30		CCEDRM
CC[C@H](NC(=O)C#Cc1ccc2c(c1)OCO2)C(=O)[O-]	ZINC000828900601	615792928	/nfs/dbraw/zinc/79/29/28/615792928.db2.gz	IPMVQROWRDJOLK-JTQLQIEISA-N	-1	0	275.260	0.746	20	30		CCEDRM
CC[C@H](NC(=O)CNc1ccc(C#N)cc1)C(=O)[O-]	ZINC000828939945	615797091	/nfs/dbraw/zinc/79/70/91/615797091.db2.gz	XYSBGHWNHVBTSC-NSHDSACASA-N	-1	0	261.281	0.950	20	30		CCEDRM
CCn1[n-]nnc1=NC(=O)N1CCC[C@@](C)(C#N)C1	ZINC000888331240	615911454	/nfs/dbraw/zinc/91/14/54/615911454.db2.gz	HYGNWDQMJIFTNV-NSHDSACASA-N	-1	0	263.305	0.272	20	30		CCEDRM
CCn1[n-]nnc1=NC(=O)N1Cc2ccc(C#N)cc2C1	ZINC000888322527	615912695	/nfs/dbraw/zinc/91/26/95/615912695.db2.gz	IYNSFSUHOMPHAN-UHFFFAOYSA-N	-1	0	283.295	0.534	20	30		CCEDRM
CC[C@](C)(NC(=O)[C@@H](O)c1ccc(C#N)cc1)C(=O)[O-]	ZINC000833636958	615951175	/nfs/dbraw/zinc/95/11/75/615951175.db2.gz	FWXBMPSGVJSUEN-FZMZJTMJSA-N	-1	0	276.292	0.961	20	30		CCEDRM
CN(CC(=O)NC(C)(C)C)C(=O)[C@](C)(C#N)CC(=O)[O-]	ZINC000820554667	616046031	/nfs/dbraw/zinc/04/60/31/616046031.db2.gz	YGWJABTXLGXUBV-ZDUSSCGKSA-N	-1	0	283.328	0.364	20	30		CCEDRM
CN(CC1CCOCC1)C(=O)[C@@](C)(C#N)CC(=O)[O-]	ZINC000820579773	616066916	/nfs/dbraw/zinc/06/69/16/616066916.db2.gz	GNGCHVAYYICMCJ-CYBMUJFWSA-N	-1	0	268.313	0.876	20	30		CCEDRM
CN(CCC(=O)[O-])c1nccc(C#N)c1[N+](=O)[O-]	ZINC000214592532	616069168	/nfs/dbraw/zinc/06/91/68/616069168.db2.gz	JTIFVOGILUYDDO-UHFFFAOYSA-N	-1	0	250.214	0.772	20	30		CCEDRM
CN([C@@H](C(=O)[O-])c1cccc(C#N)c1)[C@H]1CCNC1=O	ZINC000833692430	616117266	/nfs/dbraw/zinc/11/72/66/616117266.db2.gz	WVCBDDUURKFZNE-NWDGAFQWSA-N	-1	0	273.292	0.504	20	30		CCEDRM
COC(=O)[C@@H]1CCCN(C(=O)[C@@](C)(C#N)CC(=O)[O-])C1	ZINC000820660989	616288776	/nfs/dbraw/zinc/28/87/76/616288776.db2.gz	QHRVZDGESFODKF-NOZJJQNGSA-N	-1	0	282.296	0.403	20	30		CCEDRM
COCCNC(=O)C(C#N)=C([O-])c1noc2c1CCCC2	ZINC000916891432	616492782	/nfs/dbraw/zinc/49/27/82/616492782.db2.gz	WFQIRWNIVZKJAU-JTQLQIEISA-N	-1	0	291.307	0.638	20	30		CCEDRM
COCCNC(=O)[C@H](C#N)C(=O)[C@H]1CCC[C@@H](C(=O)[O-])C1	ZINC000831744963	616496561	/nfs/dbraw/zinc/49/65/61/616496561.db2.gz	NPBGBBMYUMXBGD-HBNTYKKESA-N	-1	0	296.323	0.349	20	30		CCEDRM
COCCO[N-]C(=O)C(=O)NCc1ccc(C#N)cc1F	ZINC000804158161	616571692	/nfs/dbraw/zinc/57/16/92/616571692.db2.gz	NXTJITUXEJMBCH-UHFFFAOYSA-N	-1	0	295.270	0.008	20	30		CCEDRM
COC[C@H](NC(=O)NCC#Cc1ccccc1)C(=O)[O-]	ZINC000908769395	616698925	/nfs/dbraw/zinc/69/89/25/616698925.db2.gz	XQSQZZDGACPDQR-LBPRGKRZSA-N	-1	0	276.292	0.437	20	30		CCEDRM
COCCn1c(=O)cc([O-])nc1SCCCC#N	ZINC000901652467	616714754	/nfs/dbraw/zinc/71/47/54/616714754.db2.gz	ISMYKVQJDNJXGH-UHFFFAOYSA-N	-1	0	269.326	0.991	20	30		CCEDRM
COC(=O)[C@]1(F)CCN(C(=O)[C@](C)(C#N)CC(=O)[O-])C1	ZINC000820654138	616770151	/nfs/dbraw/zinc/77/01/51/616770151.db2.gz	XTCCYCKKWULMEP-RYUDHWBXSA-N	-1	0	286.259	0.105	20	30		CCEDRM
CNC(=O)C(C#N)=C([O-])c1nnn(-c2ccccc2)c1C	ZINC000918489404	616777960	/nfs/dbraw/zinc/77/79/60/616777960.db2.gz	LFRQTQLOGRPXMI-NSHDSACASA-N	-1	0	283.291	0.644	20	30		CCEDRM
COC[C@](C)(C#N)NC(=O)CO[C@H]1CCCN(C(=O)[O-])C1	ZINC000828885886	616816594	/nfs/dbraw/zinc/81/65/94/616816594.db2.gz	PQYFSWWHWKFPEW-GWCFXTLKSA-N	-1	0	299.327	0.190	20	30		CCEDRM
CNC(=O)C(C#N)=C([O-])c1ccc(F)c(OC)c1	ZINC000121739124	616839313	/nfs/dbraw/zinc/83/93/13/616839313.db2.gz	SWUODKWDWSQHQC-MRVPVSSYSA-N	-1	0	250.229	0.903	20	30		CCEDRM
COCc1ccc(C(=O)N(CC#N)CC(=O)[O-])o1	ZINC000737829535	616889011	/nfs/dbraw/zinc/88/90/11/616889011.db2.gz	MPCURSOLPCRWGC-UHFFFAOYSA-N	-1	0	252.226	0.476	20	30		CCEDRM
COCCCNC(=S)NN=Cc1cc(C(=O)[O-])cn1C	ZINC000901141956	616906189	/nfs/dbraw/zinc/90/61/89/616906189.db2.gz	PYZSIWUUJFNICA-UHFFFAOYSA-N	-1	0	298.368	0.558	20	30		CCEDRM
CO[C@@]1(CN=Nc2ccc(C(=O)[O-])nc2)CCOC1	ZINC000841641100	616932857	/nfs/dbraw/zinc/93/28/57/616932857.db2.gz	NBQNRYFHNYZKPI-GFCCVEGCSA-N	-1	0	265.269	0.983	20	30		CCEDRM
COC(=O)[C@@H](C)Oc1ccc(C=NNCC(=O)[O-])cc1	ZINC000814960487	616951112	/nfs/dbraw/zinc/95/11/12/616951112.db2.gz	NULMEBNPVMWYSH-SECBINFHSA-N	-1	0	280.280	0.635	20	30		CCEDRM
COCCN(CC(=O)N[C@H]1CCC[C@H]1C#N)C(=O)[O-]	ZINC000828976085	616979779	/nfs/dbraw/zinc/97/97/79/616979779.db2.gz	IBCHIBMUBSWRNA-UWVGGRQHSA-N	-1	0	269.301	0.421	20	30		CCEDRM
COC[C@H](C)CC(=O)N1CCN(C(=O)[O-])C[C@H]1C#N	ZINC000828897307	617050236	/nfs/dbraw/zinc/05/02/36/617050236.db2.gz	RMMQDCLKNCIWSN-NXEZZACHSA-N	-1	0	269.301	0.373	20	30		CCEDRM
CO[N-]C(=O)CNC(=O)C1(c2cc(F)cc(C#N)c2)CC1	ZINC000832753973	617109926	/nfs/dbraw/zinc/10/99/26/617109926.db2.gz	XOZDZWQNBNYAOM-UHFFFAOYSA-N	-1	0	291.282	0.523	20	30		CCEDRM
CO[C@](C)(C(=O)[O-])C(=O)N[C@H]1Cc2ccc(C#N)cc2C1	ZINC000902545985	617125387	/nfs/dbraw/zinc/12/53/87/617125387.db2.gz	OMEZMCHSXJOZLK-WFASDCNBSA-N	-1	0	288.303	0.631	20	30		CCEDRM
CO[C@@H](C(=O)[N-]S(=O)(=O)c1cncc(C#N)c1)C(C)C	ZINC000813979581	617126789	/nfs/dbraw/zinc/12/67/89/617126789.db2.gz	ULTUUDWOUTUGTO-LLVKDONJSA-N	-1	0	297.336	0.429	20	30		CCEDRM
CO[C@@H](C(=O)[O-])C(=O)NCc1ccc(CC#N)cc1	ZINC000901700581	617128670	/nfs/dbraw/zinc/12/86/70/617128670.db2.gz	UXNPRUWCDSQRAL-LLVKDONJSA-N	-1	0	262.265	0.468	20	30		CCEDRM
C=CCN(CC(=O)[O-])C(=O)NCCc1ccn(C)n1	ZINC000227246283	622961433	/nfs/dbraw/zinc/96/14/33/622961433.db2.gz	QIYBZAKMSVPZKE-UHFFFAOYSA-N	-1	0	266.301	0.245	20	30		CCEDRM
C#C[C@@H](CC)NS(=O)(=O)c1c[nH]c(C(=O)[O-])c1	ZINC000229871306	623570275	/nfs/dbraw/zinc/57/02/75/623570275.db2.gz	FMPMMVNNBRKNRV-ZETCQYMHSA-N	-1	0	256.283	0.403	20	30		CCEDRM
Cc1n[nH]c(C(=O)N[C@H](C)[C@@H]2CCCN(CC#N)C2)c1[O-]	ZINC001025384164	623742424	/nfs/dbraw/zinc/74/24/24/623742424.db2.gz	AMWIRTBVFQTJMX-MWLCHTKSSA-N	-1	0	291.355	0.778	20	30		CCEDRM
C[C@H]1CO[C@@H](C(=O)[N-]S(=O)(=O)CCCC#N)C1	ZINC000892925587	623865541	/nfs/dbraw/zinc/86/55/41/623865541.db2.gz	KMYQMPGHBIHABD-RKDXNWHRSA-N	-1	0	260.315	0.161	20	30		CCEDRM
C[C@@H](OC[C@@H]1CCCCO1)C(=O)[N-]S(C)(=O)=O	ZINC000049501120	624462898	/nfs/dbraw/zinc/46/28/98/624462898.db2.gz	LGRZYLZYCVVBOS-BDAKNGLRSA-N	-1	0	265.331	0.877	20	30		CCEDRM
CS(=O)(=O)[N-]C(=O)[C@@H]1CC(=O)N(C2CCCC2)C1	ZINC000048479931	624695929	/nfs/dbraw/zinc/69/59/29/624695929.db2.gz	DNEOPWMMCIAUOH-MRVPVSSYSA-N	-1	0	274.342	0.694	20	30		CCEDRM
CC(=O)[N-]S(=O)(=O)c1cccc(S(C)(=O)=O)c1	ZINC000048621021	624786016	/nfs/dbraw/zinc/78/60/16/624786016.db2.gz	UJTDYSGZGYJNJZ-UHFFFAOYSA-N	-1	0	277.323	0.755	20	30		CCEDRM
C#CCN(CC(=O)[O-])S(=O)(=O)CCC1CCC1	ZINC000304569728	624814537	/nfs/dbraw/zinc/81/45/37/624814537.db2.gz	ZTOJBXMUQBTGOP-UHFFFAOYSA-N	-1	0	259.327	0.526	20	30		CCEDRM
N#Cc1ccc(C(=O)N=S2(=O)CCOCC2)cc1[O-]	ZINC000891367334	624837183	/nfs/dbraw/zinc/83/71/83/624837183.db2.gz	PJBUSMDDYDDCAA-UHFFFAOYSA-N	-1	0	280.305	0.902	20	30		CCEDRM
C=CCN(CC(=O)[O-])C(=O)[C@H]1COc2ccccc2O1	ZINC000092461735	624851189	/nfs/dbraw/zinc/85/11/89/624851189.db2.gz	SVRZSSGQCIJKKP-GFCCVEGCSA-N	-1	0	277.276	0.926	20	30		CCEDRM
COCCNC(=O)C(C#N)=C([O-])c1cncc(C)c1	ZINC000178317331	624921450	/nfs/dbraw/zinc/92/14/50/624921450.db2.gz	MRJWTZVJLBLGOX-LLVKDONJSA-N	-1	0	261.281	0.475	20	30		CCEDRM
Cn1cc(C#N)cc1C(=O)[N-]S(=O)(=O)N1CCCCC1	ZINC000176109847	624944255	/nfs/dbraw/zinc/94/42/55/624944255.db2.gz	NXXIRZNMAPPVOQ-UHFFFAOYSA-N	-1	0	296.352	0.357	20	30		CCEDRM
C=CCN(CC(=O)[O-])C(=O)N[C@@H](C)c1cnn(C)c1	ZINC000312020796	625750991	/nfs/dbraw/zinc/75/09/91/625750991.db2.gz	UYMYUDAUXSJQBT-VIFPVBQESA-N	-1	0	266.301	0.763	20	30		CCEDRM
COCCCNC(=O)C(C#N)=C([O-])c1ccc(COC)o1	ZINC000125134294	625768663	/nfs/dbraw/zinc/76/86/63/625768663.db2.gz	RRGQATOOCPHLDO-NSHDSACASA-N	-1	0	294.307	0.901	20	30		CCEDRM
Cc1cc(C#N)cc(C)c1C(=O)N=c1nn[n-]n1C	ZINC000904189171	634712331	/nfs/dbraw/zinc/71/23/31/634712331.db2.gz	CRXQJKNTKNUHPN-UHFFFAOYSA-N	-1	0	256.269	0.373	20	30		CCEDRM
N#CC[C@@H](NC(=O)CSCC(=O)[O-])C(F)(F)F	ZINC000905129512	634804825	/nfs/dbraw/zinc/80/48/25/634804825.db2.gz	GGPFZHIBAHEWAE-RXMQYKEDSA-N	-1	0	270.232	0.765	20	30		CCEDRM
CCCN(C)S(=O)(=O)[N-]C(=O)c1cn(C)nc1CC	ZINC000092715992	631220657	/nfs/dbraw/zinc/22/06/57/631220657.db2.gz	ATCRWPCGWQRYPH-UHFFFAOYSA-N	-1	0	288.373	0.874	20	30		CCEDRM
C#CC[C@H](NC(=O)[C@@H](OC)c1ccccc1)C(=O)[O-]	ZINC000059982861	631932850	/nfs/dbraw/zinc/93/28/50/631932850.db2.gz	AJTJZNBMKFOCJK-RYUDHWBXSA-N	-1	0	261.277	0.967	20	30		CCEDRM
C#CC[C@@H](CO)NS(=O)(=O)c1ccccc1[O-]	ZINC000882339597	631984580	/nfs/dbraw/zinc/98/45/80/631984580.db2.gz	JECHURGHQHSDNU-VIFPVBQESA-N	-1	0	255.295	0.055	20	30		CCEDRM
C#CC[C@@H](CO)NS(=O)(=O)c1nc(C)c(C)s1	ZINC000882343354	631993801	/nfs/dbraw/zinc/99/38/01/631993801.db2.gz	SOLQEEWHSIGLPL-VIFPVBQESA-N	-1	0	274.367	0.422	20	30		CCEDRM
C#CCOCCC(=O)[N-]S(=O)(=O)c1cccc(C)c1	ZINC000179375003	634124393	/nfs/dbraw/zinc/12/43/93/634124393.db2.gz	ZCZVHFBGUGFFJT-UHFFFAOYSA-N	-1	0	281.333	0.840	20	30		CCEDRM
Cn1nc(C(=O)[O-])cc1C=NN[C@@H]1CCOC1(C)C	ZINC000901248626	634214696	/nfs/dbraw/zinc/21/46/96/634214696.db2.gz	DNNMBBBPXYJXJK-SNVBAGLBSA-N	-1	0	266.301	0.609	20	30		CCEDRM
N#Cc1ccc(CC(=O)N2CCC[C@H]2C(=O)[O-])cn1	ZINC000901441705	634248007	/nfs/dbraw/zinc/24/80/07/634248007.db2.gz	DHLZBJRDLXKODW-NSHDSACASA-N	-1	0	259.265	0.571	20	30		CCEDRM
N#CC[C@H]([N-]S(=O)(=O)C[C@@H]1CCCO1)C(F)(F)F	ZINC000901771965	634276321	/nfs/dbraw/zinc/27/63/21/634276321.db2.gz	IPZMEHHYMMCEDJ-YUMQZZPRSA-N	-1	0	286.275	0.929	20	30		CCEDRM
N#CCC1CN(S(=O)(=O)c2cc(C(=O)[O-])cs2)C1	ZINC000907038912	635065862	/nfs/dbraw/zinc/06/58/62/635065862.db2.gz	MXTHKFSIDAHUAJ-UHFFFAOYSA-N	-1	0	286.334	0.980	20	30		CCEDRM
C#C[C@@H](CO)NC(=O)C1(C(=O)[O-])CC2(CCC2)C1	ZINC000911610669	636302810	/nfs/dbraw/zinc/30/28/10/636302810.db2.gz	BJWTZEWZLLPLEL-VIFPVBQESA-N	-1	0	251.282	0.132	20	30		CCEDRM
C[C@@H]1C(=O)N([N-]C(=O)c2cscc2C#N)C(=O)N1C	ZINC000912819447	636677991	/nfs/dbraw/zinc/67/79/91/636677991.db2.gz	RXXQGBZMHHAVHT-ZCFIWIBFSA-N	-1	0	278.293	0.547	20	30		CCEDRM
Cc1ccn2ncc(C([O-])=C(C#N)C(=O)NC(C)C)c2n1	ZINC000171037240	637113974	/nfs/dbraw/zinc/11/39/74/637113974.db2.gz	FKPFZYLWUDEWSX-JTQLQIEISA-N	-1	0	285.307	0.885	20	30		CCEDRM
Cn1c(C([O-])=C(C#N)C(=O)NC2CC2)ccc1[N+](=O)[O-]	ZINC000916930322	637932432	/nfs/dbraw/zinc/93/24/32/637932432.db2.gz	COUZRJWEPGCPRT-QMMMGPOBSA-N	-1	0	276.252	0.534	20	30		CCEDRM
C=CC[C@H](CO)NC(=O)c1n[n-]c2ccccc2c1=O	ZINC000185813380	638787904	/nfs/dbraw/zinc/78/79/04/638787904.db2.gz	YICVBRKUAYQAPB-SECBINFHSA-N	-1	0	273.292	0.590	20	30		CCEDRM
C[C@@H]1[C@@H](C(=O)[O-])CCN1C(=O)[C@@]1(C#N)CCCOC1	ZINC000923083444	640018036	/nfs/dbraw/zinc/01/80/36/640018036.db2.gz	YRCYLMHOSVHFLY-GBIKHYSHSA-N	-1	0	266.297	0.628	20	30		CCEDRM
COc1nc(C(=O)OCCCSCC#N)cc(=O)[n-]1	ZINC000805531273	640401890	/nfs/dbraw/zinc/40/18/90/640401890.db2.gz	LMBSSGQOBULFIX-UHFFFAOYSA-N	-1	0	283.309	0.994	20	30		CCEDRM
Cc1cc(OCC(=O)[N-]S(=O)(=O)CC2(C#N)CC2)no1	ZINC000793196545	640451183	/nfs/dbraw/zinc/45/11/83/640451183.db2.gz	WDPBNMVAJZHHTG-UHFFFAOYSA-N	-1	0	299.308	0.112	20	30		CCEDRM
C[C@@H](C(=O)[N-]OCCC(F)(F)F)n1cnc(C#N)n1	ZINC000798996043	640538359	/nfs/dbraw/zinc/53/83/59/640538359.db2.gz	IHMRYCPTUONGFO-LURJTMIESA-N	-1	0	277.206	0.711	20	30		CCEDRM
Cc1[nH]c(C=NN[C@H]2CCS(=O)(=O)C2)cc1C(=O)[O-]	ZINC000800803827	640621516	/nfs/dbraw/zinc/62/15/16/640621516.db2.gz	WNECMBXGPIMIBK-QMMMGPOBSA-N	-1	0	285.325	0.132	20	30		CCEDRM
N#Cc1nc(NC(=O)COCc2ccccn2)[n-]c1C#N	ZINC000806433105	640783765	/nfs/dbraw/zinc/78/37/65/640783765.db2.gz	GCGZOWCNYJWAET-UHFFFAOYSA-N	-1	0	282.263	0.703	20	30		CCEDRM
N#CC1(CS(=O)(=O)[N-]C(=O)c2conc2C2CC2)CC1	ZINC000810668886	640943513	/nfs/dbraw/zinc/94/35/13/640943513.db2.gz	DLVZOGOEDXTKRO-UHFFFAOYSA-N	-1	0	295.320	0.915	20	30		CCEDRM
CC#CCS(=O)(=O)[N-]C(=O)c1cncc(COC)c1	ZINC000810777325	640949421	/nfs/dbraw/zinc/94/94/21/640949421.db2.gz	DTXSBODANRXRQX-UHFFFAOYSA-N	-1	0	282.321	0.311	20	30		CCEDRM
CC#CCS(=O)(=O)[N-]C(=O)C1CCC(OC)CC1	ZINC000810777976	640949490	/nfs/dbraw/zinc/94/94/90/640949490.db2.gz	SPEKEKWPWMHRTA-UHFFFAOYSA-N	-1	0	273.354	0.661	20	30		CCEDRM
Cn1cccc1C(=O)[N-]S(=O)(=O)c1cncc(C#N)c1	ZINC000813980376	641051179	/nfs/dbraw/zinc/05/11/79/641051179.db2.gz	CPELRCCXJMNFEG-UHFFFAOYSA-N	-1	0	290.304	0.410	20	30		CCEDRM
COc1nc(Cl)c(C=Nn2c(=O)[n-][nH]c2=O)s1	ZINC000814230738	641061250	/nfs/dbraw/zinc/06/12/50/641061250.db2.gz	ABXBPIJYVXWEQT-UHFFFAOYSA-N	-1	0	275.677	0.690	20	30		CCEDRM
O=c1[n-][nH]c(=O)n1N=Cc1cnn(-c2ccccc2)c1	ZINC000814232583	641062518	/nfs/dbraw/zinc/06/25/18/641062518.db2.gz	DCOFBGJVIXCLDD-UHFFFAOYSA-N	-1	0	270.252	0.757	20	30		CCEDRM
Cc1nn(-c2ccccn2)c(C)c1C=Nn1c(=O)[n-][nH]c1=O	ZINC000814232139	641062559	/nfs/dbraw/zinc/06/25/59/641062559.db2.gz	MYLIOQGCONGEJN-UHFFFAOYSA-N	-1	0	299.294	0.769	20	30		CCEDRM
Cc1ccc(F)c2c1NC(=O)C2=NNCC(=O)[O-]	ZINC000814958226	641084318	/nfs/dbraw/zinc/08/43/18/641084318.db2.gz	GDCZNNBPKOXUKY-UHFFFAOYSA-N	-1	0	251.217	0.465	20	30		CCEDRM
COC(=O)Cn1cc(C=NNCC(=O)[O-])c2ccccc21	ZINC000814958596	641084555	/nfs/dbraw/zinc/08/45/55/641084555.db2.gz	FDXTUFQQUKKUMR-UHFFFAOYSA-N	-1	0	289.291	0.822	20	30		CCEDRM
N#CCOc1cccc(NC(=O)C(=O)[N-]OCC2CC2)c1	ZINC000815790581	641122659	/nfs/dbraw/zinc/12/26/59/641122659.db2.gz	UXWDOFPPGPSGHT-UHFFFAOYSA-N	-1	0	289.291	0.985	20	30		CCEDRM
C[C@@]1(C(=O)N[C@H]2CCN(O)C2=O)CCc2ccccc21	ZINC000820131531	641464310	/nfs/dbraw/zinc/46/43/10/641464310.db2.gz	JGJCMKUMZMKNPM-SWLSCSKDSA-N	-1	0	274.320	0.997	20	30		CCEDRM
N#CC1(c2ccc(C(=O)Nn3c(=O)[n-][nH]c3=O)cc2)CC1	ZINC000820281698	641491922	/nfs/dbraw/zinc/49/19/22/641491922.db2.gz	DNCGZVUIMKMAEU-UHFFFAOYSA-N	-1	0	285.263	0.628	20	30		CCEDRM
Cc1ccc(C(=O)[N-]S(=O)(=O)CCC#N)cc1	ZINC000821582798	641611686	/nfs/dbraw/zinc/61/16/86/641611686.db2.gz	XXJPESDWURZPLZ-UHFFFAOYSA-N	-1	0	252.295	0.968	20	30		CCEDRM
N#CCCS(=O)(=O)[N-]C(=O)c1cc(F)ccc1F	ZINC000821584038	641611790	/nfs/dbraw/zinc/61/17/90/641611790.db2.gz	PARKDXPMRLHSHX-UHFFFAOYSA-N	-1	0	274.248	0.938	20	30		CCEDRM
N#Cc1ccc([O-])c(NC(=O)C[C@@H]2CCC(=O)N2)c1	ZINC000831271508	642340916	/nfs/dbraw/zinc/34/09/16/642340916.db2.gz	HXCOSRMMJDNOTN-VIFPVBQESA-N	-1	0	259.265	0.871	20	30		CCEDRM
C[C@H](CO)N(C)N=Cc1cccc(OCC(=O)[O-])c1	ZINC000842540015	642909484	/nfs/dbraw/zinc/90/94/84/642909484.db2.gz	GUSNTLDEKHUKCS-SNVBAGLBSA-N	-1	0	266.297	0.797	20	30		CCEDRM
N#CC1(CS(=O)(=O)[N-]C(=O)[C@H]2CCC(=O)C2)CCC1	ZINC000842762545	642945497	/nfs/dbraw/zinc/94/54/97/642945497.db2.gz	GXSCLDJMMDIZMS-VIFPVBQESA-N	-1	0	284.337	0.495	20	30		CCEDRM
N#Cc1sccc1S(=O)(=O)[N-]N1CCCNC1=O	ZINC000845915959	643362733	/nfs/dbraw/zinc/36/27/33/643362733.db2.gz	IMAPBKGDHMRZHL-UHFFFAOYSA-N	-1	0	286.338	0.228	20	30		CCEDRM
N#CCCCCC(=O)[N-]S(=O)(=O)[C@H]1CCCOC1	ZINC000847676507	643545494	/nfs/dbraw/zinc/54/54/94/643545494.db2.gz	OEPBEDZAKNQXQD-JTQLQIEISA-N	-1	0	274.342	0.695	20	30		CCEDRM
C[C@H](CC#N)C(=O)[N-]S(=O)(=O)c1ccc(C#N)cc1	ZINC000850732809	643810193	/nfs/dbraw/zinc/81/01/93/643810193.db2.gz	DOSFBIITISJDMJ-SECBINFHSA-N	-1	0	277.305	0.913	20	30		CCEDRM
C[C@@H](CC#N)C(=O)[N-]S(=O)(=O)N1CCCCC1	ZINC000850788887	643813087	/nfs/dbraw/zinc/81/30/87/643813087.db2.gz	JJEXOWKURKNNRH-VIFPVBQESA-N	-1	0	259.331	0.383	20	30		CCEDRM
N#CCCCS(=O)(=O)[N-]C(=O)C1CC2(CC2)C1	ZINC000850926177	643822504	/nfs/dbraw/zinc/82/25/04/643822504.db2.gz	JIQCXLUJMNWREM-UHFFFAOYSA-N	-1	0	256.327	0.926	20	30		CCEDRM
N#CC1(CS(=O)(=O)[N-]C(=O)C23CC(C2)C3)CC1	ZINC000860649355	644818464	/nfs/dbraw/zinc/81/84/64/644818464.db2.gz	JZSFBHCTTKMELE-UHFFFAOYSA-N	-1	0	254.311	0.536	20	30		CCEDRM
N#Cc1cncc(S(=O)(=O)[N-]C(=O)C23CC(C2)C3)c1	ZINC000860785047	644830217	/nfs/dbraw/zinc/83/02/17/644830217.db2.gz	KVRDHOXWHFBCHQ-UHFFFAOYSA-N	-1	0	277.305	0.558	20	30		CCEDRM
N#C[C@]1(C(=O)[N-]O[C@H]2CCCCO2)CCCOC1	ZINC000865080092	645319843	/nfs/dbraw/zinc/31/98/43/645319843.db2.gz	JAINHEWNQKFXJP-CMPLNLGQSA-N	-1	0	254.286	0.881	20	30		CCEDRM
C=CCSCCNS(=O)(=O)c1ccc(C)nn1	ZINC000866647321	645559259	/nfs/dbraw/zinc/55/92/59/645559259.db2.gz	KCNUGLUMUNVVKW-UHFFFAOYSA-N	-1	0	273.383	0.983	20	30		CCEDRM
Cc1cc(S(=O)(=O)N2CC(C#N)C2)ccc1C(=O)[O-]	ZINC000871967282	646200300	/nfs/dbraw/zinc/20/03/00/646200300.db2.gz	JYNWVUWJMIRYGO-UHFFFAOYSA-N	-1	0	280.305	0.837	20	30		CCEDRM
O=S1(=O)CC[C@@H](NN=Cc2ccc(F)c(F)c2[O-])C1	ZINC000872324814	646248501	/nfs/dbraw/zinc/24/85/01/646248501.db2.gz	PRBXPWRIJIJZNF-MRVPVSSYSA-N	-1	0	290.291	0.781	20	30		CCEDRM
Cn1c([O-])c(C(=O)/C=C\c2ccccc2)c(=O)n(C)c1=O	ZINC000034836404	648621080	/nfs/dbraw/zinc/62/10/80/648621080.db2.gz	LNSYPLHUHJWZLA-HJWRWDBZSA-N	-1	0	286.287	0.686	20	30		CCEDRM
C[C@]1([N-]C(=O)C(F)(F)F)CCN(C[C@H](O)CC#N)C1	ZINC000931568893	649007138	/nfs/dbraw/zinc/00/71/38/649007138.db2.gz	NITHNPGQAZIFRK-SCZZXKLOSA-N	-1	0	279.262	0.404	20	30		CCEDRM
COCCNC(=O)C(C#N)=C([O-])c1cc(C(C)(C)C)[nH]n1	ZINC000193426086	649538602	/nfs/dbraw/zinc/53/86/02/649538602.db2.gz	HWINCRWRJDPUOO-SECBINFHSA-N	-1	0	292.339	0.792	20	30		CCEDRM
C=C(Br)CN1C[C@@H](O)C[C@@H]1C(=O)[O-]	ZINC000163715713	959243333	/nfs/dbraw/zinc/24/33/33/959243333.db2.gz	XMSHXAMUCXGGDC-NKWVEPMBSA-N	-1	0	250.092	0.415	20	30		CCEDRM
N#C[C@H]1CN(Cc2ccc(C(=O)[O-])cc2O)CCO1	ZINC001231453120	805807700	/nfs/dbraw/zinc/80/77/00/805807700.db2.gz	CCSLDKRLTXXNOL-NSHDSACASA-N	-1	0	262.265	0.815	20	30		CCEDRM
N#Cc1ccc([O-])c(CN2CCN3C(=O)OC[C@H]3C2)c1	ZINC001232678932	805969282	/nfs/dbraw/zinc/96/92/82/805969282.db2.gz	VFIGIHGHKKFLJS-GFCCVEGCSA-N	-1	0	273.292	0.900	20	30		CCEDRM
CCN1CCN(Cc2cc(C#N)ccc2[O-])CC1=O	ZINC001232678931	805970497	/nfs/dbraw/zinc/97/04/97/805970497.db2.gz	VFDBOWHBZYWGBK-UHFFFAOYSA-N	-1	0	259.309	0.928	20	30		CCEDRM
C/C(=N\C#N)N(C)Cc1ccc(N[C@@H]2CO[N-]C2=O)nc1	ZINC001167511197	791497467	/nfs/dbraw/zinc/49/74/67/791497467.db2.gz	VTSYHYXTOXJHHI-LKBVRNOZSA-N	-1	0	288.311	0.255	20	30		CCEDRM
CCc1cc(C)c(C#N)c(OC(=O)[C@H](O)CCC(=O)[O-])n1	ZINC001233552879	806080812	/nfs/dbraw/zinc/08/08/12/806080812.db2.gz	DUPAFRVKEYBXEI-LLVKDONJSA-N	-1	0	292.291	0.955	20	30		CCEDRM
C#C[C@H]1CCCN(S(=O)(=O)c2c[nH]c(C(=O)[O-])c2)C1	ZINC000692401379	791679441	/nfs/dbraw/zinc/67/94/41/791679441.db2.gz	GUVOSOJRWMQKIS-VIFPVBQESA-N	-1	0	282.321	0.747	20	30		CCEDRM
C[C@H]1[C@@H](C)N(c2[n-]c(=O)n(C)c(=O)c2C#N)C[C@H]1C	ZINC001120857062	798950520	/nfs/dbraw/zinc/95/05/20/798950520.db2.gz	PIVHUNWZDAFFIS-IWSPIJDZSA-N	-1	0	262.313	0.426	20	30		CCEDRM
C=C(C)CN(C)c1nnc(-c2cc(=O)[nH][n-]2)n1CCOC	ZINC001122342164	799205400	/nfs/dbraw/zinc/20/54/00/799205400.db2.gz	ADTVPGHOJQYRJA-UHFFFAOYSA-N	-1	0	292.343	0.161	20	30		CCEDRM
CCc1[nH]nc(Cl)c1C([O-])=C(C#N)C(=O)NCCOC	ZINC001122428054	799232378	/nfs/dbraw/zinc/23/23/78/799232378.db2.gz	RYTYJHOZTVNGHY-SSDOTTSWSA-N	-1	0	298.730	0.711	20	30		CCEDRM
CCCn1cc(C([O-])=C(C#N)C(=O)NC2CC2)nn1	ZINC001122499970	799250275	/nfs/dbraw/zinc/25/02/75/799250275.db2.gz	QUKZYCPCUWSEAC-SECBINFHSA-N	-1	0	261.285	0.289	20	30		CCEDRM
Cn1ccnc1C([O-])=C(C#N)C(=O)[C@H]1CC1(F)F	ZINC001122812901	799298753	/nfs/dbraw/zinc/29/87/53/799298753.db2.gz	DYQSPNTZEFHNFC-NKWVEPMBSA-N	-1	0	253.208	0.967	20	30		CCEDRM
Cn1cncc1C(=O)[N-]S(=O)(=O)CC1(C#N)CCCC1	ZINC000835281028	799924263	/nfs/dbraw/zinc/92/42/63/799924263.db2.gz	KCRSERLOXNHROE-UHFFFAOYSA-N	-1	0	296.352	0.564	20	30		CCEDRM
COC[C@@H](NC(=O)C#Cc1cccs1)c1nnn[n-]1	ZINC001155069425	800902862	/nfs/dbraw/zinc/90/28/62/800902862.db2.gz	PSADNYDNTUEEAJ-SECBINFHSA-N	-1	0	277.309	0.117	20	30		CCEDRM
Cc1ccnc(N[C@@H]2C(=O)N(S(=O)(=O)[O-])[C@H]2C)c1C#N	ZINC001157067661	801294052	/nfs/dbraw/zinc/29/40/52/801294052.db2.gz	LVEXBQULFMXCSP-CBAPKCEASA-N	-1	0	296.308	0.076	20	30		CCEDRM
Cc1cc(C#N)c(=O)[n-]c1C(=O)NO[C@@H](CO)C(C)C	ZINC001159202786	801774723	/nfs/dbraw/zinc/77/47/23/801774723.db2.gz	UCNJEEVHHDHDFR-JTQLQIEISA-N	-1	0	279.296	0.646	20	30		CCEDRM
N#CC1(Nc2ccc3c(c2)S(=O)(=O)[N-]C3=O)CCC1	ZINC001162313700	802315240	/nfs/dbraw/zinc/31/52/40/802315240.db2.gz	ZXJLCWYDJLEUJY-UHFFFAOYSA-N	-1	0	277.305	0.977	20	30		CCEDRM
COc1ncnc([N-]S(=O)(=O)CC(C)C)c1C#N	ZINC001259879972	808791894	/nfs/dbraw/zinc/79/18/94/808791894.db2.gz	YMZNTOBKQVSGPK-UHFFFAOYSA-N	-1	0	270.314	0.755	20	30		CCEDRM
COc1nc(C)nc(N[C@H]2SC(=O)[N-]C2=O)c1C#N	ZINC001163661726	802584358	/nfs/dbraw/zinc/58/43/58/802584358.db2.gz	CMJYIXMLXKHGSH-VIFPVBQESA-N	-1	0	279.281	0.386	20	30		CCEDRM
COc1cnc(N[C@H]2SC(=O)[N-]C2=O)c(C#N)c1	ZINC001163662278	802585361	/nfs/dbraw/zinc/58/53/61/802585361.db2.gz	MOTSYXQAIWLHFL-VIFPVBQESA-N	-1	0	264.266	0.683	20	30		CCEDRM
Cn1c(=O)[n-]c(N2C[C@H]3[C@H]4C=C[C@H](C4)[C@@]3(C)C2)c(C#N)c1=O	ZINC001164261218	802699373	/nfs/dbraw/zinc/69/93/73/802699373.db2.gz	MZJUDGSDHJXWNC-AXPHHGHSSA-N	-1	0	298.346	0.594	20	30		CCEDRM
N#C[C@@H]1CNCCN1c1nc[n-]c2nc(=S)sc1-2	ZINC001164652277	802774970	/nfs/dbraw/zinc/77/49/70/802774970.db2.gz	QLJZLFLEDZJZPT-ZCFIWIBFSA-N	-1	0	278.366	0.677	20	30		CCEDRM
C=C(C)COCCNS(=O)(=O)[C@@H]1CCC[C@H]1C(=O)[O-]	ZINC001465107954	804094563	/nfs/dbraw/zinc/09/45/63/804094563.db2.gz	WESWQRMDLXNWLK-GHMZBOCLSA-N	-1	0	291.369	0.752	20	30		CCEDRM
C=CCCOCCNS(=O)(=O)[C@@H]1CCC[C@@H]1C(=O)[O-]	ZINC001465108006	804095164	/nfs/dbraw/zinc/09/51/64/804095164.db2.gz	WOZIWBKGULNRMP-WDEREUQCSA-N	-1	0	291.369	0.752	20	30		CCEDRM
C=C1CC(CNS(=O)(=O)[C@H]2CC[C@H]2C(=O)[O-])C1	ZINC001465115704	804155785	/nfs/dbraw/zinc/15/57/85/804155785.db2.gz	MUVAAUDRPDSINA-ZJUUUORDSA-N	-1	0	259.327	0.735	20	30		CCEDRM
C=CCC[C@@H](NS(=O)(=O)N(C)C(C)C)C(=O)[O-]	ZINC000316226257	804681770	/nfs/dbraw/zinc/68/17/70/804681770.db2.gz	CJAQHHBQQCQERA-SECBINFHSA-N	-1	0	264.347	0.580	20	30		CCEDRM
CC(C)(C)OC(=O)N1C[C@H](C#N)[C@H](OCc2nnn[n-]2)C1	ZINC001223030334	804949169	/nfs/dbraw/zinc/94/91/69/804949169.db2.gz	VYOBELAQWSUBGR-DTWKUNHWSA-N	-1	0	294.315	0.475	20	30		CCEDRM
C=CCOC[C@H](CS(=O)(=O)[O-])OC[C@H]1CCO1	ZINC001224473160	805041456	/nfs/dbraw/zinc/04/14/56/805041456.db2.gz	IASSSMBZESNBKN-NXEZZACHSA-N	-1	0	266.315	0.251	20	30		CCEDRM
C[C@@H](OCC(=O)ON1C(=O)CCC1=O)C1=CC=C[CH]1	ZINC001224529340	805046252	/nfs/dbraw/zinc/04/62/52/805046252.db2.gz	PZEMSDYXRCAOIS-SECBINFHSA-N	-1	0	264.257	0.699	20	30		CCEDRM
C=C[C@@]1(C)CC[C@@H](Oc2c([O-])c(=O)c(=O)c2=O)C(C)(C)O1	ZINC001225830064	805166684	/nfs/dbraw/zinc/16/66/84/805166684.db2.gz	DNFSOVCKOGXLGQ-GLEZIHRCSA-N	-1	0	294.303	0.630	20	30		CCEDRM
C=C[C@]1(C)CC[C@H](Oc2c([O-])c(=O)c(=O)c2=O)C(C)(C)O1	ZINC001225830065	805167197	/nfs/dbraw/zinc/16/71/97/805167197.db2.gz	DNFSOVCKOGXLGQ-VXJOIVPMSA-N	-1	0	294.303	0.630	20	30		CCEDRM
CC[C@@H](C#CC(=O)OC)Oc1[n-]c(=O)ncc1F	ZINC001225886059	805173201	/nfs/dbraw/zinc/17/32/01/805173201.db2.gz	SFZDBRNHQQZCRG-ZETCQYMHSA-N	-1	0	254.217	0.655	20	30		CCEDRM
CC(=O)N1CC[C@@H](Oc2[n-]c(=O)c(F)cc2C#N)C1	ZINC001226008975	805185505	/nfs/dbraw/zinc/18/55/05/805185505.db2.gz	OYLVPQCBYTWORE-SECBINFHSA-N	-1	0	265.244	0.798	20	30		CCEDRM
N#Cc1cc(F)c(=O)[n-]c1OC[C@@H]1COC(=O)O1	ZINC001226014392	805186177	/nfs/dbraw/zinc/18/61/77/805186177.db2.gz	WLJIUMVJCMBLNK-ZCFIWIBFSA-N	-1	0	254.173	0.712	20	30		CCEDRM
N#CCN1CC[C@H](Oc2nc(=O)[n-]cc2[N+](=O)[O-])C1	ZINC001226331079	805220571	/nfs/dbraw/zinc/22/05/71/805220571.db2.gz	GNJAJIOZFQDUOB-ZETCQYMHSA-N	-1	0	265.229	0.067	20	30		CCEDRM
C=C[C@@H](Oc1nc2ncnc-2c(S)[n-]1)C(=O)OC	ZINC001226787249	805282549	/nfs/dbraw/zinc/28/25/49/805282549.db2.gz	WYYNIRCMMQYDMM-RXMQYKEDSA-N	-1	0	266.282	0.748	20	30		CCEDRM
C=C(C)C(=O)Nc1ccc(CC(=O)[N-]S(C)(=O)=O)cc1	ZINC001142515770	815070438	/nfs/dbraw/zinc/07/04/38/815070438.db2.gz	BRTBFPURXBOOBU-UHFFFAOYSA-N	-1	0	296.348	0.820	20	30		CCEDRM
CC[C@H](C#CC(=O)OC)Oc1[n-]c(=O)nc2cc[nH]c21	ZINC001227810928	805393603	/nfs/dbraw/zinc/39/36/03/805393603.db2.gz	ZBDYINQSDKPANE-MRVPVSSYSA-N	-1	0	275.264	0.997	20	30		CCEDRM
C=CCOCC(COCC=C)Oc1ncnc(=O)[n-]1	ZINC001229605285	805544305	/nfs/dbraw/zinc/54/43/05/805544305.db2.gz	BWPCBTOZGLMKHT-UHFFFAOYSA-N	-1	0	267.285	0.730	20	30		CCEDRM
N#Cc1ncc(-c2cnn(CC(=O)[O-])c2)nc1C#N	ZINC001242183281	806994638	/nfs/dbraw/zinc/99/46/38/806994638.db2.gz	JYZUVYIHLKTCKY-UHFFFAOYSA-N	-1	0	254.209	0.168	20	30		CCEDRM
Cc1nnc([S-])n(N=C[C@H](C#N)C(C)C)c1=O	ZINC001253448533	808067324	/nfs/dbraw/zinc/06/73/24/808067324.db2.gz	FRYZWWTUNTWCDJ-QMMMGPOBSA-N	-1	0	251.315	0.865	20	30		CCEDRM
C=C[C@@H](O)CNc1cccc2c(=O)cc(-c3nnn[n-]3)oc12	ZINC001253592512	808093780	/nfs/dbraw/zinc/09/37/80/808093780.db2.gz	QMAVHWHYJGXFGJ-MRVPVSSYSA-N	-1	0	299.290	0.932	20	30		CCEDRM
CCCS(=O)(=O)[N-]c1c(C#N)cnn1-c1ncccn1	ZINC001253627206	808100284	/nfs/dbraw/zinc/10/02/84/808100284.db2.gz	VKVRBQTZHCUWLE-UHFFFAOYSA-N	-1	0	292.324	0.686	20	30		CCEDRM
C=C(C)[C@H](CC(=O)[N-]S(=O)(=O)N(C)C)OCC	ZINC001253654026	808102052	/nfs/dbraw/zinc/10/20/52/808102052.db2.gz	LWECNQRJMHMIMX-VIFPVBQESA-N	-1	0	264.347	0.280	20	30		CCEDRM
COc1nonc1[N-]S(=O)(=O)c1ccc(C#N)cc1	ZINC001258038863	808651433	/nfs/dbraw/zinc/65/14/33/808651433.db2.gz	DUEAUANOZLQLCL-UHFFFAOYSA-N	-1	0	280.265	0.751	20	30		CCEDRM
Cn1cnc([N-]S(=O)(=O)c2ccccc2C#N)c1C#N	ZINC001258208498	808663710	/nfs/dbraw/zinc/66/37/10/808663710.db2.gz	SELIKZMQJXSWIE-UHFFFAOYSA-N	-1	0	287.304	0.964	20	30		CCEDRM
Cn1cnc(S(=O)(=O)[N-]c2cccc(C#N)n2)c1	ZINC001258993066	808708991	/nfs/dbraw/zinc/70/89/91/808708991.db2.gz	LDYQRJGIQYHWRN-UHFFFAOYSA-N	-1	0	263.282	0.488	20	30		CCEDRM
N#Cc1cccc(S(=O)(=O)N[C@@H]2SC(=O)[N-]C2=O)c1	ZINC001259126608	808733544	/nfs/dbraw/zinc/73/35/44/808733544.db2.gz	ZYASOWUWCQBDNL-SECBINFHSA-N	-1	0	297.317	0.146	20	30		CCEDRM
N#Cc1cc([N-]S(=O)(=O)c2ccccn2)ccn1	ZINC001259282183	808748681	/nfs/dbraw/zinc/74/86/81/808748681.db2.gz	IJWQOAMGAPRAGA-UHFFFAOYSA-N	-1	0	260.278	0.571	20	30		CCEDRM
CCn1cc(S(=O)(=O)[N-]c2cccnc2C#N)cn1	ZINC001259832376	808782638	/nfs/dbraw/zinc/78/26/38/808782638.db2.gz	YHNZSZJEGQXRTM-UHFFFAOYSA-N	-1	0	277.309	0.970	20	30		CCEDRM
C#Cc1ccc([N-]S(=O)(=O)c2ccn(C)n2)cn1	ZINC001259938412	808813116	/nfs/dbraw/zinc/81/31/16/808813116.db2.gz	PFCRBEMZZUQOCV-UHFFFAOYSA-N	-1	0	262.294	0.597	20	30		CCEDRM
COCCS(=O)(=O)[N-]c1c(O)cccc1C#N	ZINC001259972274	808832526	/nfs/dbraw/zinc/83/25/26/808832526.db2.gz	ZYRYHLVBJFCRKJ-UHFFFAOYSA-N	-1	0	256.283	0.652	20	30		CCEDRM
CC1(C#N)CN(S(=O)(=O)c2ccc(O)c(C(=O)[O-])c2)C1	ZINC001260393115	808859719	/nfs/dbraw/zinc/85/97/19/808859719.db2.gz	MELAGTZBCLXAOI-UHFFFAOYSA-N	-1	0	296.304	0.625	20	30		CCEDRM
Cc1ccc(C#N)c([N-]S(=O)(=O)CS(C)(=O)=O)c1	ZINC001260583140	808867944	/nfs/dbraw/zinc/86/79/44/808867944.db2.gz	POBDOYSHQCXZTD-UHFFFAOYSA-N	-1	0	288.350	0.611	20	30		CCEDRM
N#Cc1cc([N-]S(=O)(=O)c2cn[nH]c2)c(O)cc1F	ZINC001260961256	808891665	/nfs/dbraw/zinc/89/16/65/808891665.db2.gz	MOSFIKNTUTVJSS-UHFFFAOYSA-N	-1	0	282.256	0.927	20	30		CCEDRM
CC(C)OC[C@H](NCc1cccc(C#N)n1)C(=O)[O-]	ZINC001261889029	809120828	/nfs/dbraw/zinc/12/08/28/809120828.db2.gz	LAUNPKFQUATRDN-LBPRGKRZSA-N	-1	0	263.297	0.921	20	30		CCEDRM
C=CC[C@@H]1CCCN(C(=O)C(=O)N[C@H]2C[C@H](C(=O)[O-])C2)C1	ZINC001262057425	809176548	/nfs/dbraw/zinc/17/65/48/809176548.db2.gz	TWRFXLRXFXUYBF-IJLUTSLNSA-N	-1	0	294.351	0.781	20	30		CCEDRM
C=CC[C@@H](NC(=O)[C@H]1Cc2cccnc2C1)C(=O)[O-]	ZINC001263630729	809544282	/nfs/dbraw/zinc/54/42/82/809544282.db2.gz	WAUALKFADPTJON-WDEREUQCSA-N	-1	0	260.293	0.942	20	30		CCEDRM
CC[C@@H](C#CC(=O)OC)OCC[P@@](=O)([O-])O	ZINC001224603514	815320348	/nfs/dbraw/zinc/32/03/48/815320348.db2.gz	ZKQVKAQTXLPRIX-QMMMGPOBSA-N	-1	0	250.187	0.136	20	30		CCEDRM
C=CCOC[C@H](CS(=O)(=O)[O-])OCCCCO	ZINC001217870290	811327415	/nfs/dbraw/zinc/32/74/15/811327415.db2.gz	IXXYZVRYLYEBJF-SNVBAGLBSA-N	-1	0	268.331	0.235	20	30		CCEDRM
Cc1[nH]nc(C(=O)N2CC[C@H](CN(C)CC#N)C2)c1[O-]	ZINC001267581714	811479025	/nfs/dbraw/zinc/47/90/25/811479025.db2.gz	RUQYGTZAUKSVPS-SNVBAGLBSA-N	-1	0	277.328	0.341	20	30		CCEDRM
C#CC[C@H](NC(=O)[C@@H]1CS[C@@]2(C)CCC(=O)N12)C(=O)[O-]	ZINC000149891644	811484481	/nfs/dbraw/zinc/48/44/81/811484481.db2.gz	OQNJJGUJMCPWOT-RVBZMBCESA-N	-1	0	296.348	0.033	20	30		CCEDRM
COc1cccc(C#N)c1OC(=O)[C@@H](O)CC(=O)[O-]	ZINC001226248103	813939940	/nfs/dbraw/zinc/93/99/40/813939940.db2.gz	WHMGGOSFPAVVKS-QMMMGPOBSA-N	-1	0	265.221	0.308	20	30		CCEDRM
C=CCCN1CC(NC(=O)c2[nH]nc(C)c2[O-])C1	ZINC001030222124	815906623	/nfs/dbraw/zinc/90/66/23/815906623.db2.gz	GWMHZIFDDNZQIP-UHFFFAOYSA-N	-1	0	250.302	0.414	20	30		CCEDRM
C[C@H]1C[C@H](Nc2[n-]c(=O)n(C)c(=O)c2C#N)CS1	ZINC001120857103	816243541	/nfs/dbraw/zinc/24/35/41/816243541.db2.gz	QSHCTOLDAYIYHK-BQBZGAKWSA-N	-1	0	266.326	0.251	20	30		CCEDRM
N#CCN1CC(CNC(=O)c2n[n-]c3ccccc3c2=O)C1	ZINC001032018023	817552500	/nfs/dbraw/zinc/55/25/00/817552500.db2.gz	LZYLFOOKZVNOFI-UHFFFAOYSA-N	-1	0	297.318	0.521	20	30		CCEDRM
C#CCCN1C[C@@H]2C[C@H]1CN2C(=O)c1n[nH]c(C)c1[O-]	ZINC001032358000	817983907	/nfs/dbraw/zinc/98/39/07/817983907.db2.gz	OMWMXFMHGPZRAN-QWRGUYRKSA-N	-1	0	274.324	0.346	20	30		CCEDRM
CNC(=O)C(C#N)=C([O-])c1cn(-c2ccc(C)cc2)nn1	ZINC000133550051	818685679	/nfs/dbraw/zinc/68/56/79/818685679.db2.gz	RYOZXURGGCYRDQ-LLVKDONJSA-N	-1	0	283.291	0.644	20	30		CCEDRM
C#CCO[N-]C(=O)[C@@H]1CCCN1C(=O)C(C)(C)C	ZINC000700595497	818811096	/nfs/dbraw/zinc/81/10/96/818811096.db2.gz	GKEXDIZNUAHKPD-JTQLQIEISA-N	-1	0	252.314	0.705	20	30		CCEDRM
C=CCC[C@H](NC(=O)NCc1ncccn1)C(=O)[O-]	ZINC000702397005	819108145	/nfs/dbraw/zinc/10/81/45/819108145.db2.gz	JULDDDCMYMXYLJ-VIFPVBQESA-N	-1	0	264.285	0.695	20	30		CCEDRM
C#CCO[N-]C(=O)CNC(=O)c1cccc(F)c1	ZINC000704250658	819370165	/nfs/dbraw/zinc/37/01/65/819370165.db2.gz	XSUXUFYFHJFKPM-UHFFFAOYSA-N	-1	0	250.229	0.237	20	30		CCEDRM
C=CCCS(=O)(=O)N1CCC(OC)(C(=O)[O-])CC1	ZINC000710562311	819809547	/nfs/dbraw/zinc/80/95/47/819809547.db2.gz	WBCADDDZZDMLEX-UHFFFAOYSA-N	-1	0	277.342	0.458	20	30		CCEDRM
N#Cc1nc(Cl)cnc1N[C@H]1SC(=O)[N-]C1=O	ZINC001155837132	822257611	/nfs/dbraw/zinc/25/76/11/822257611.db2.gz	KBRKEKFHJQFYNW-ZETCQYMHSA-N	-1	0	269.673	0.723	20	30		CCEDRM
N#Cc1ncc(Cl)nc1N[C@H]1SC(=O)[N-]C1=O	ZINC001155838004	822258831	/nfs/dbraw/zinc/25/88/31/822258831.db2.gz	VDLCIALGYOCBJN-ZETCQYMHSA-N	-1	0	269.673	0.723	20	30		CCEDRM
N#Cc1ccc([N+](=O)[O-])c(N[C@@H]2SC(=O)[N-]C2=O)n1	ZINC001155844074	822261869	/nfs/dbraw/zinc/26/18/69/822261869.db2.gz	UVPUCQDMYNXSRB-MRVPVSSYSA-N	-1	0	279.237	0.582	20	30		CCEDRM
C[C@@]1(C(=O)[N-]S(=O)(=O)CC2(C#N)CC2)CCOC1	ZINC000793198282	837403761	/nfs/dbraw/zinc/40/37/61/837403761.db2.gz	XCCAJKXDYWQAOP-SNVBAGLBSA-N	-1	0	272.326	0.163	20	30		CCEDRM
Cc1ccncc1C(=O)[N-]S(=O)(=O)CC1(C#N)CC1	ZINC000793197333	837402155	/nfs/dbraw/zinc/40/21/55/837402155.db2.gz	QQPDFWRMYZTLNF-UHFFFAOYSA-N	-1	0	279.321	0.753	20	30		CCEDRM
N#CC1(CS(=O)(=O)[N-]C(=O)[C@@H]2C[C@H]2C2CC2)CC1	ZINC000793203777	837407528	/nfs/dbraw/zinc/40/75/28/837407528.db2.gz	GYIHVCRBXAJLLL-VHSXEESVSA-N	-1	0	268.338	0.782	20	30		CCEDRM
C[C@@H](NCc1cc(=O)n2[n-]cc(C#N)c2n1)c1cn[nH]c1	ZINC001169065258	836121496	/nfs/dbraw/zinc/12/14/96/836121496.db2.gz	NBOJWXHJFJRDDL-MRVPVSSYSA-N	-1	0	283.295	0.880	20	30		CCEDRM
Cn1c(=O)[n-]c(NCc2cn3ccccc3n2)c(C#N)c1=O	ZINC001184564090	844258057	/nfs/dbraw/zinc/25/80/57/844258057.db2.gz	NKMCYSHFDHPZDB-UHFFFAOYSA-N	-1	0	296.290	0.205	20	30		CCEDRM
CC#CCS(=O)(=O)[N-]C(=O)c1ncoc1CC	ZINC000810778517	838406618	/nfs/dbraw/zinc/40/66/18/838406618.db2.gz	BRTOYDSEUPLPMV-UHFFFAOYSA-N	-1	0	256.283	0.320	20	30		CCEDRM
CSc1ncc([O-])c(C(=O)N2C[C@@H](F)C[C@H]2C#N)n1	ZINC001185177039	844355321	/nfs/dbraw/zinc/35/53/21/844355321.db2.gz	QDUPQTVRQVWZLX-BQBZGAKWSA-N	-1	0	282.300	0.980	20	30		CCEDRM
C=CCCc1ccc(C(=O)NCc2nnn[n-]2)c(=O)[nH]1	ZINC001185362523	844402481	/nfs/dbraw/zinc/40/24/81/844402481.db2.gz	FRHFMYIRJGRHPZ-UHFFFAOYSA-N	-1	0	274.284	0.349	20	30		CCEDRM
Cn1[n-]c(C(=O)NCc2cccc(C#N)c2)cc1=O	ZINC001136181845	839561792	/nfs/dbraw/zinc/56/17/92/839561792.db2.gz	AHMJDHABHVIGNT-UHFFFAOYSA-N	-1	0	256.265	0.927	20	30		CCEDRM
COC(=O)[C@H](CS)NS(=O)(=O)c1ccco1	ZINC001186867507	844613972	/nfs/dbraw/zinc/61/39/72/844613972.db2.gz	NWLIZOLISVONEU-LURJTMIESA-N	-1	0	265.312	0.029	20	30		CCEDRM
CCNC(=O)c1ccc(NC(=N[O-])c2nonc2N)cc1	ZINC001175629812	842265826	/nfs/dbraw/zinc/26/58/26/842265826.db2.gz	UDIVUIIDMRPYCK-UHFFFAOYSA-N	-1	0	290.283	0.649	20	30		CCEDRM
CN1C(=O)C[C@@H](C(=O)Nc2ccc(C#N)cc2O)NC1=O	ZINC001181132192	843412891	/nfs/dbraw/zinc/41/28/91/843412891.db2.gz	HSTHLZNHMYTGFV-VIFPVBQESA-N	-1	0	288.263	0.143	20	30		CCEDRM
COC(=O)CC(=O)Nc1cc(C#N)c(F)cc1[O-]	ZINC001181388688	843477196	/nfs/dbraw/zinc/47/71/96/843477196.db2.gz	PNVKMMHMSHRWNB-UHFFFAOYSA-N	-1	0	252.201	0.905	20	30		CCEDRM
N#Cc1ccccc1CC(=O)NC1C(=O)N=CN=C1[O-]	ZINC001181798618	843617319	/nfs/dbraw/zinc/61/73/19/843617319.db2.gz	LLCPEGYTLILPBC-UHFFFAOYSA-N	-1	0	270.248	0.941	20	30		CCEDRM
C#Cc1cc(NC([O-])=C(CO)C(F)(F)F)ccn1	ZINC001183280491	843990021	/nfs/dbraw/zinc/99/00/21/843990021.db2.gz	URARNCWNJZUPOB-VIFPVBQESA-N	-1	0	258.199	0.594	20	30		CCEDRM
CCOCCS(=O)(=O)[N-]c1c(C#N)cnc2ccnn21	ZINC001187246950	844678520	/nfs/dbraw/zinc/67/85/20/844678520.db2.gz	ZJAALYJCIXQCBQ-UHFFFAOYSA-N	-1	0	295.324	0.379	20	30		CCEDRM
COC(=O)CCS(=O)(=O)[N-]c1ncccc1C#N	ZINC001188350354	844879980	/nfs/dbraw/zinc/87/99/80/844879980.db2.gz	NHUWZJSEJIPEBK-UHFFFAOYSA-N	-1	0	269.282	0.258	20	30		CCEDRM
N#Cc1cnc2ccnn2c1[N-]S(=O)(=O)CC1CC1	ZINC001188930341	844999146	/nfs/dbraw/zinc/99/91/46/844999146.db2.gz	HHAVRKPYUBUJQB-UHFFFAOYSA-N	-1	0	277.309	0.753	20	30		CCEDRM
N#Cc1ncc([N-]S(=O)(=O)c2ncc(F)cc2F)cn1	ZINC001190143195	845330408	/nfs/dbraw/zinc/33/04/08/845330408.db2.gz	NRMCXSKZCZFNNK-UHFFFAOYSA-N	-1	0	297.246	0.822	20	30		CCEDRM
Cc1ccc(C(N=O)=NS(=O)([O-])=c2cc[nH]cc2)nc1	ZINC001190916111	845547193	/nfs/dbraw/zinc/54/71/93/845547193.db2.gz	IMAQKLMFJRSWIQ-UHFFFAOYSA-N	-1	0	292.320	0.899	20	30		CCEDRM
C#Cc1ccccc1C(=O)NCC(=O)CCC(=O)[O-]	ZINC001191128626	845591629	/nfs/dbraw/zinc/59/16/29/845591629.db2.gz	NEYGYSCYACMVFV-UHFFFAOYSA-N	-1	0	259.261	0.832	20	30		CCEDRM
N#Cc1c(N)nn(C(=O)c2cc(F)c([O-])cc2F)c1N	ZINC001192852660	845924222	/nfs/dbraw/zinc/92/42/22/845924222.db2.gz	JJWZNGUCBRXKBT-UHFFFAOYSA-N	-1	0	279.206	0.591	20	30		CCEDRM
COC(=O)c1c([N-]S(=O)(=O)CC#N)cncc1OC	ZINC001192952037	845934665	/nfs/dbraw/zinc/93/46/65/845934665.db2.gz	VWHBDHCNMZHUJJ-UHFFFAOYSA-N	-1	0	285.281	0.142	20	30		CCEDRM
Cc1cc(C)n2nc([N-]S(=O)(=O)CC#N)cc2n1	ZINC001192938456	845942076	/nfs/dbraw/zinc/94/20/76/845942076.db2.gz	DAQNJQQIZZNYFI-UHFFFAOYSA-N	-1	0	265.298	0.611	20	30		CCEDRM
CSc1nc([N-]S(=O)(=O)CC#N)cc(=O)[nH]1	ZINC001192939433	845943217	/nfs/dbraw/zinc/94/32/17/845943217.db2.gz	OVWOAGNAYHGXKZ-UHFFFAOYSA-N	-1	0	260.300	0.169	20	30		CCEDRM
Cn1nnc2cc([N-]S(=O)(=O)CC#N)ccc21	ZINC001192978729	845961425	/nfs/dbraw/zinc/96/14/25/845961425.db2.gz	CPZDYHYJRJFITK-UHFFFAOYSA-N	-1	0	251.271	0.234	20	30		CCEDRM
N#CCS(=O)(=O)[N-]c1cccc2c1OCC(=O)N2	ZINC001192979099	845961772	/nfs/dbraw/zinc/96/17/72/845961772.db2.gz	YGOWZQAHGAQOOY-UHFFFAOYSA-N	-1	0	267.266	0.283	20	30		CCEDRM
C[C@H](C#N)S(=O)(=O)[N-]c1ccsc1C(N)=O	ZINC001193104838	845979216	/nfs/dbraw/zinc/97/92/16/845979216.db2.gz	NKWUKTWSGPYBOU-RXMQYKEDSA-N	-1	0	259.312	0.501	20	30		CCEDRM
COCCOc1cnc([N-]S(=O)(=O)[C@H](C)C#N)cn1	ZINC001193103752	845976856	/nfs/dbraw/zinc/97/68/56/845976856.db2.gz	AWRWAIBFPVUSCP-MRVPVSSYSA-N	-1	0	286.313	0.156	20	30		CCEDRM
CC(=O)Nc1cc([N-]S(=O)(=O)[C@@H](C)C#N)ncn1	ZINC001193104019	845979480	/nfs/dbraw/zinc/97/94/80/845979480.db2.gz	CVKRSQDGBDRQMP-LURJTMIESA-N	-1	0	269.286	0.089	20	30		CCEDRM
C[C@@H](C#N)S(=O)(=O)[N-]c1ncccc1CCO	ZINC001193110837	845981312	/nfs/dbraw/zinc/98/13/12/845981312.db2.gz	CAGFWTRZJWWFAY-QMMMGPOBSA-N	-1	0	255.299	0.270	20	30		CCEDRM
COCCn1cnc([N-]S(=O)(=O)[C@@H](C)C#N)c1	ZINC001193111422	845981331	/nfs/dbraw/zinc/98/13/31/845981331.db2.gz	GQWSLFTTWBPRSR-QMMMGPOBSA-N	-1	0	258.303	0.183	20	30		CCEDRM
COC(=O)c1ccc([N-]S(=O)(=O)[C@H](C)C#N)c(O)c1	ZINC001193145757	846005358	/nfs/dbraw/zinc/00/53/58/846005358.db2.gz	AMWMMPPPELHNEY-SSDOTTSWSA-N	-1	0	284.293	0.833	20	30		CCEDRM
C[C@H](C#N)S(=O)(=O)[N-]c1c(F)cccc1CO	ZINC001193157131	846008491	/nfs/dbraw/zinc/00/84/91/846008491.db2.gz	BEZPFTNWGNWXOP-SSDOTTSWSA-N	-1	0	258.274	0.972	20	30		CCEDRM
COC(=O)[C@H](COC(C)(C)C)[N-]S(=O)(=O)[C@H](C)C#N	ZINC001193168507	846012054	/nfs/dbraw/zinc/01/20/54/846012054.db2.gz	CMOVNFUQUNTNTA-BDAKNGLRSA-N	-1	0	292.357	0.175	20	30		CCEDRM
Cc1noc([N-]S(=O)(=O)C[C@@H]2CCCO2)c1C#N	ZINC001193196334	846015338	/nfs/dbraw/zinc/01/53/38/846015338.db2.gz	KJYZICUEFWAMAE-QMMMGPOBSA-N	-1	0	271.298	0.775	20	30		CCEDRM
COC(=O)[C@@](C)([N-]S(=O)(=O)[C@H](C)C#N)C(F)(F)F	ZINC001193186540	846028832	/nfs/dbraw/zinc/02/88/32/846028832.db2.gz	YUQHWSOBDIKYGY-IYSWYEEDSA-N	-1	0	288.247	0.312	20	30		CCEDRM
CCOC(=O)CCNC(=O)c1ccc([O-])c(C#N)c1	ZINC001193511657	846101425	/nfs/dbraw/zinc/10/14/25/846101425.db2.gz	FPLTZRJGFATWJX-UHFFFAOYSA-N	-1	0	262.265	0.947	20	30		CCEDRM
COC(=O)[C@H](CS)NC(=O)c1ccc([O-])c(C#N)c1	ZINC001193512864	846103362	/nfs/dbraw/zinc/10/33/62/846103362.db2.gz	ULLVNAWYPTUZEQ-VIFPVBQESA-N	-1	0	280.305	0.465	20	30		CCEDRM
N#Cc1cccc(C(=O)Nc2ncnc3n[nH]nc32)c1[O-]	ZINC001193635730	846131017	/nfs/dbraw/zinc/13/10/17/846131017.db2.gz	ZNENBWSJZWJVDH-UHFFFAOYSA-N	-1	0	281.235	0.577	20	30		CCEDRM
N#CCCN1CCN(C(=O)c2cccc(C#N)c2[O-])CC1	ZINC001193644049	846135119	/nfs/dbraw/zinc/13/51/19/846135119.db2.gz	NFOCAWKUYHOJPO-UHFFFAOYSA-N	-1	0	284.319	0.935	20	30		CCEDRM
N#Cc1cccc(C(=O)N2CCNC[C@@H]2C#N)c1[O-]	ZINC001193642470	846135273	/nfs/dbraw/zinc/13/52/73/846135273.db2.gz	GFMPHERELNUFKS-JTQLQIEISA-N	-1	0	256.265	0.201	20	30		CCEDRM
COc1ncccc1S(=O)(=O)[N-]c1c(C#N)cnn1C	ZINC001194676563	846356055	/nfs/dbraw/zinc/35/60/55/846356055.db2.gz	MEIINRVCOWCFQP-UHFFFAOYSA-N	-1	0	293.308	0.496	20	30		CCEDRM
N#Cc1ccc(C(=O)NCCn2ccnn2)c([O-])c1	ZINC001195733755	846603712	/nfs/dbraw/zinc/60/37/12/846603712.db2.gz	VUFAUVNXAWKBDY-UHFFFAOYSA-N	-1	0	257.253	0.285	20	30		CCEDRM
COC(=O)N1CCN(C(=O)c2ccc(C#N)cc2[O-])CC1	ZINC001195733354	846604638	/nfs/dbraw/zinc/60/46/38/846604638.db2.gz	LHRSRUMJXMKKBS-UHFFFAOYSA-N	-1	0	289.291	0.788	20	30		CCEDRM
C[C@@]1(CO)CN(C(=O)c2ccc(C#N)cc2[O-])CC[C@H]1O	ZINC001195741114	846619739	/nfs/dbraw/zinc/61/97/39/846619739.db2.gz	OIVVCRLSYQQHJA-HIFRSBDPSA-N	-1	0	290.319	0.469	20	30		CCEDRM
C[C@H]1C(=O)NCCN1C(=O)c1ccc(C#N)cc1[O-]	ZINC001195740668	846619893	/nfs/dbraw/zinc/61/98/93/846619893.db2.gz	BTTQIZWVHZAGMM-QMMMGPOBSA-N	-1	0	259.265	0.224	20	30		CCEDRM
C[C@]1(CO)CCN(C(=O)c2ccc(C#N)cc2[O-])C[C@H]1O	ZINC001195741167	846619963	/nfs/dbraw/zinc/61/99/63/846619963.db2.gz	PXWZQUNLUSLMFZ-UKRRQHHQSA-N	-1	0	290.319	0.469	20	30		CCEDRM
N#C[C@H](NC(=O)c1cc(Cl)c(F)cc1[O-])C(N)=O	ZINC001196477952	846752793	/nfs/dbraw/zinc/75/27/93/846752793.db2.gz	KLYKJOMIJNVPCZ-ZETCQYMHSA-N	-1	0	271.635	0.292	20	30		CCEDRM
Cc1ncc(S(=O)(=O)[N-]c2cnc(C#N)cn2)n1C	ZINC001198344933	847092300	/nfs/dbraw/zinc/09/23/00/847092300.db2.gz	ZSLYAPLXSFPBII-UHFFFAOYSA-N	-1	0	278.297	0.191	20	30		CCEDRM
C#CC[C@H](CO)NC(=O)c1cc(F)c(F)c([O-])c1F	ZINC000717821112	848398146	/nfs/dbraw/zinc/39/81/46/848398146.db2.gz	AOEHBLWQSDIBLF-ZCFIWIBFSA-N	-1	0	273.210	0.924	20	30		CCEDRM
N#Cc1cc(F)cc(S(=O)(=O)N2CC[C@H]2C(=O)[O-])c1	ZINC000718531376	849266854	/nfs/dbraw/zinc/26/68/54/849266854.db2.gz	HFTMDANHJBGACQ-JTQLQIEISA-N	-1	0	284.268	0.545	20	30		CCEDRM
C=CC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1[nH]nc(C)c1[O-])C2	ZINC001096962246	852471239	/nfs/dbraw/zinc/47/12/39/852471239.db2.gz	GPVJURXOWRSNOM-MXWKQRLJSA-N	-1	0	276.340	0.945	20	30		CCEDRM
C#CC[C@@H](NC(=O)[C@H]1CC(=O)N(C2CCCC2)C1)C(=O)[O-]	ZINC000149571167	853986719	/nfs/dbraw/zinc/98/67/19/853986719.db2.gz	KJXSQPZGYLSFJX-CMPLNLGQSA-N	-1	0	292.335	0.370	20	30		CCEDRM
C#CC[C@@H](NC(=O)c1cnc2c(c1)c(C)nn2C)C(=O)[O-]	ZINC000149626732	853990415	/nfs/dbraw/zinc/99/04/15/853990415.db2.gz	LPWRUHNACOSJMP-LLVKDONJSA-N	-1	0	286.291	0.483	20	30		CCEDRM
N#Cc1c(F)cccc1S(=O)(=O)N[C@H]1C[C@H](C(=O)[O-])C1	ZINC000693024726	855596466	/nfs/dbraw/zinc/59/64/66/855596466.db2.gz	ZPHQGCUCBLLWPX-ZKCHVHJHSA-N	-1	0	298.295	0.839	20	30		CCEDRM
CCO[N-]C(=O)CNC(=O)c1csc(C#N)c1	ZINC001118272223	856237409	/nfs/dbraw/zinc/23/74/09/856237409.db2.gz	QJPOUXDHXNBQPG-UHFFFAOYSA-N	-1	0	253.283	0.417	20	30		CCEDRM
C=CCO[C@@H]1CCN(C(=O)NC[C@H](C)C(=O)[O-])C1	ZINC001118326527	856263398	/nfs/dbraw/zinc/26/33/98/856263398.db2.gz	VVQWTLNRNXTIAA-VHSXEESVSA-N	-1	0	256.302	0.694	20	30		CCEDRM
C=CCN(CC=C)C(=O)C(=O)NCCCCC(=O)[O-]	ZINC001119336713	856640159	/nfs/dbraw/zinc/64/01/59/856640159.db2.gz	RUNOZUVFUQDPBI-UHFFFAOYSA-N	-1	0	268.313	0.558	20	30		CCEDRM
C#CCO[C@H](C)C(=O)N[C@@H]1CCOC2(CC(C(=O)[O-])C2)C1	ZINC001119649601	856813000	/nfs/dbraw/zinc/81/30/00/856813000.db2.gz	RJSQJCGTIDDAQF-NGWKBDRKSA-N	-1	0	295.335	0.553	20	30		CCEDRM
COCCO[N-]C(=O)C(=O)NCC1CCC(C#N)CC1	ZINC001324188450	912713454	/nfs/dbraw/zinc/71/34/54/912713454.db2.gz	BICOWVPUVSBJSN-UHFFFAOYSA-N	-1	0	283.328	0.127	20	30		CCEDRM
CCn1nccc1C=Nn1c(=O)c(C)n[n-]c1=S	ZINC001324381779	912813107	/nfs/dbraw/zinc/81/31/07/912813107.db2.gz	OKDWIQDCWPTCKB-UHFFFAOYSA-N	-1	0	264.314	0.334	20	30		CCEDRM
Cc1cc(C#N)c(=O)[n-]c1C(=O)N1CC(O)(CC#N)C1	ZINC001433916792	895809670	/nfs/dbraw/zinc/80/96/70/895809670.db2.gz	KYIJCMAYTGJGNC-UHFFFAOYSA-N	-1	0	272.264	0.068	20	30		CCEDRM
C#CCCCC(=O)N[C@@H](C)C1CN(Cc2n[nH]c(=O)[n-]2)C1	ZINC001485502476	897090381	/nfs/dbraw/zinc/09/03/81/897090381.db2.gz	FPVMFWABRGIUHB-JTQLQIEISA-N	-1	0	291.355	0.250	20	30		CCEDRM
C#CCCCC(=O)N[C@H](C)C1CN(Cc2n[nH]c(=O)[n-]2)C1	ZINC001485502478	897091665	/nfs/dbraw/zinc/09/16/65/897091665.db2.gz	FPVMFWABRGIUHB-SNVBAGLBSA-N	-1	0	291.355	0.250	20	30		CCEDRM
CCOC(=O)c1cc([N-]S(=O)(=O)[C@H](C)C#N)ccn1	ZINC001193106594	900031704	/nfs/dbraw/zinc/03/17/04/900031704.db2.gz	HKXNCEYDSSFUIQ-MRVPVSSYSA-N	-1	0	283.309	0.334	20	30		CCEDRM
CCOC(=O)c1ccnnc1[N-]S(=O)(=O)[C@H](C)C#N	ZINC001193107110	900031844	/nfs/dbraw/zinc/03/18/44/900031844.db2.gz	OCJGOBYZZQFNPI-SSDOTTSWSA-N	-1	0	284.297	0.307	20	30		CCEDRM
C#C[C@@H](CO)[N-]S(=O)(=O)c1ccc(Br)o1	ZINC000867339250	900079697	/nfs/dbraw/zinc/07/96/97/900079697.db2.gz	DQCPFLILDDVXGP-LURJTMIESA-N	-1	0	294.126	0.315	20	30		CCEDRM
CCC(CC)(NC(=O)c1ccc(C#N)nc1)c1nnn[n-]1	ZINC001412108228	901474898	/nfs/dbraw/zinc/47/48/98/901474898.db2.gz	JPHKHZBCRJPOBE-UHFFFAOYSA-N	-1	0	285.311	0.912	20	30		CCEDRM
Cc1cc(C#N)c(=O)[n-]c1C(=O)N(C)Cc1cnn(C)c1	ZINC001412384549	901680058	/nfs/dbraw/zinc/68/00/58/901680058.db2.gz	MOJQUOJMPQDNQG-UHFFFAOYSA-N	-1	0	285.307	0.973	20	30		CCEDRM
CC1(NC(=O)Cn2cc(C#N)c(=O)[n-]c2=O)CC(F)(F)C1	ZINC001412562346	901826987	/nfs/dbraw/zinc/82/69/87/901826987.db2.gz	WFHGNGCDULSGEL-UHFFFAOYSA-N	-1	0	298.249	0.125	20	30		CCEDRM
Cc1cc(C#N)c(=O)[n-]c1C(=O)N(C)[C@H](C)C[S@](C)=O	ZINC001412753207	902039520	/nfs/dbraw/zinc/03/95/20/902039520.db2.gz	UWIKMOIVUJILOF-YBYGRFCBSA-N	-1	0	295.364	0.806	20	30		CCEDRM
N#Cc1cn(CC(=O)N[C@@H]2C[C@@H]3CCC[C@H]23)c(=O)[n-]c1=O	ZINC001412780332	902114902	/nfs/dbraw/zinc/11/49/02/902114902.db2.gz	AAVKGRPKTOVAFN-INTQDDNPSA-N	-1	0	288.307	0.125	20	30		CCEDRM
Cc1cc(C#N)c(=O)[n-]c1C(=O)N[C@@]1(C)CCOC1=O	ZINC001413051854	902591755	/nfs/dbraw/zinc/59/17/55/902591755.db2.gz	AERATHCADHIBFZ-ZDUSSCGKSA-N	-1	0	275.264	0.403	20	30		CCEDRM
CN(Cc1nc(=O)o[n-]1)C(=O)c1cccc(CC#N)c1	ZINC001413179164	902759709	/nfs/dbraw/zinc/75/97/09/902759709.db2.gz	HJRJORYFIJIFJT-UHFFFAOYSA-N	-1	0	272.264	0.701	20	30		CCEDRM
C[C@@H](C#N)CNC(=O)N1CCC[C@H](c2n[nH]c(=O)[n-]2)C1	ZINC001413809625	903680999	/nfs/dbraw/zinc/68/09/99/903680999.db2.gz	WPLMAANOLCQOBG-IUCAKERBSA-N	-1	0	278.316	0.559	20	30		CCEDRM
C=CCS(=O)(=O)[N-]C(=O)c1ccnc(OC)c1	ZINC001337165913	921206475	/nfs/dbraw/zinc/20/64/75/921206475.db2.gz	MCRGJBOJPUVXFF-UHFFFAOYSA-N	-1	0	256.283	0.336	20	30		CCEDRM
CCN(CC(C)C)c1[n-]c(=O)n(C)c(=O)c1C#N	ZINC001337773844	921292730	/nfs/dbraw/zinc/29/27/30/921292730.db2.gz	DFLUBLDIAQBJAN-UHFFFAOYSA-N	-1	0	250.302	0.428	20	30		CCEDRM
C[C@@H]1CCCN(c2[n-]c(=O)n(C)c(=O)c2C#N)[C@H]1C	ZINC001337867433	921300315	/nfs/dbraw/zinc/30/03/15/921300315.db2.gz	DYMGASARQHFZLX-BDAKNGLRSA-N	-1	0	262.313	0.570	20	30		CCEDRM
C=CC[C@H]([N-]S(=O)(=O)N=S(C)(C)=O)C(=O)OCC	ZINC001309390755	908462223	/nfs/dbraw/zinc/46/22/23/908462223.db2.gz	MXJDZTLZONVJMP-QMMMGPOBSA-N	-1	0	298.386	0.056	20	30		CCEDRM
CCOCCC(=O)[N-]S(=O)(=O)c1ccccc1C#N	ZINC001319124330	909993723	/nfs/dbraw/zinc/99/37/23/909993723.db2.gz	CFIHLALGTAALCH-UHFFFAOYSA-N	-1	0	282.321	0.790	20	30		CCEDRM
C=C(CCC(=O)[O-])C(=O)NCC[C@@H](C)[S@](C)=O	ZINC001588624484	983732786	/nfs/dbraw/zinc/73/27/86/983732786.db2.gz	KMLZBGNBMMNEDE-XLFHBGCDSA-N	-1	0	261.343	0.681	20	30		CCEDRM
C=CC[C@@H](NC(=O)[C@@H](C)NC(=O)C1CCCC1)C(=O)[O-]	ZINC001321166406	911131336	/nfs/dbraw/zinc/13/13/36/911131336.db2.gz	DNBBVPYTINMRQG-MWLCHTKSSA-N	-1	0	282.340	0.827	20	30		CCEDRM
CCOCCS(=O)(=O)[N-]C(=O)c1cccc(C#N)c1C	ZINC001322745897	911931000	/nfs/dbraw/zinc/93/10/00/911931000.db2.gz	DYGUOCGSQYXKQW-UHFFFAOYSA-N	-1	0	296.348	0.963	20	30		CCEDRM
C=CCCO[N-]C(=O)Cn1nc2n(c1=O)CCCCC2	ZINC001328420029	915182177	/nfs/dbraw/zinc/18/21/77/915182177.db2.gz	CRPFURHUVSYKHF-UHFFFAOYSA-N	-1	0	280.328	0.395	20	30		CCEDRM
Cc1n[nH]c(C(=O)N[C@@H](C)[C@H](C)NCC#N)c1[O-]	ZINC001329016321	915592433	/nfs/dbraw/zinc/59/24/33/915592433.db2.gz	RYHOCYUYAPDZAL-BQBZGAKWSA-N	-1	0	251.290	0.044	20	30		CCEDRM
C#CCO[N-]C(=O)C1(c2cc(C)no2)CCOCC1	ZINC001329054898	915630735	/nfs/dbraw/zinc/63/07/35/915630735.db2.gz	UEHOMONBAMQKFF-UHFFFAOYSA-N	-1	0	264.281	0.712	20	30		CCEDRM
Cn1cc(CS(=O)(=O)[N-]C(=O)CCCC#N)cn1	ZINC001329065644	915638557	/nfs/dbraw/zinc/63/85/57/915638557.db2.gz	GOFFGIFNYJZUTB-UHFFFAOYSA-N	-1	0	270.314	0.060	20	30		CCEDRM
C=CCCCCCNC(=O)C(=O)N[C@H]1C[C@@H](C(=O)[O-])C1	ZINC001331068132	917064997	/nfs/dbraw/zinc/06/49/97/917064997.db2.gz	WJIOPIZNOQGYAL-PHIMTYICSA-N	-1	0	282.340	0.828	20	30		CCEDRM
C=CCCOCCNC(=O)C[N@H+]1CCC[C@H](C(=O)[O-])C1	ZINC001332136387	917897126	/nfs/dbraw/zinc/89/71/26/917897126.db2.gz	OKAWECMBMPOYEO-LBPRGKRZSA-N	-1	0	284.356	0.492	20	30		CCEDRM
C=CCCn1cc(C(=O)N2CC([C@@H](F)C(=O)[O-])C2)nn1	ZINC001332177305	917933925	/nfs/dbraw/zinc/93/39/25/917933925.db2.gz	YRIIGNOBFWDTNX-SNVBAGLBSA-N	-1	0	282.275	0.349	20	30		CCEDRM
C=CC1(S(=O)(=O)[N-]C(=O)c2cc(CC)n(C)n2)CC1	ZINC001332230662	917974960	/nfs/dbraw/zinc/97/49/60/917974960.db2.gz	CCBJHAZIELSDAY-UHFFFAOYSA-N	-1	0	283.353	0.761	20	30		CCEDRM
C=CC[C@H](NC(=O)[C@H]1CCc2nccn2C1)C(=O)[O-]	ZINC001332613865	918312399	/nfs/dbraw/zinc/31/23/99/918312399.db2.gz	OMXYVMNXGIEJJE-UWVGGRQHSA-N	-1	0	263.297	0.591	20	30		CCEDRM
CS(=O)(=O)c1nc(NC(=O)CCCCC#N)n[n-]1	ZINC001332924461	918536576	/nfs/dbraw/zinc/53/65/76/918536576.db2.gz	QGSXLPNMYAHVEN-UHFFFAOYSA-N	-1	0	271.302	0.231	20	30		CCEDRM
C#CCOc1ccccc1C[NH2+]C[C@@H](CC(=O)[O-])C(=O)[O-]	ZINC001334068913	919349519	/nfs/dbraw/zinc/34/95/19/919349519.db2.gz	CPFSMGDGDGJXII-GFCCVEGCSA-N	-1	0	291.303	0.964	20	30		CCEDRM
C=CC[C@@H](NC(=O)Cc1cn(C)nc1C)C(=O)[O-]	ZINC001334187159	919409344	/nfs/dbraw/zinc/40/93/44/919409344.db2.gz	KLAOHFSJBIIGHH-SNVBAGLBSA-N	-1	0	251.286	0.417	20	30		CCEDRM
C=C(C)C[C@@H](NC(=O)c1c(C)cnn1C)C(=O)[O-]	ZINC001334204519	919422213	/nfs/dbraw/zinc/42/22/13/919422213.db2.gz	BDXMPGBQKYBDOD-SECBINFHSA-N	-1	0	251.286	0.878	20	30		CCEDRM
C=CCCC(=O)N(C)[C@H](C)CNC(=O)c1[nH]nc(C)c1[O-]	ZINC001334220245	919436097	/nfs/dbraw/zinc/43/60/97/919436097.db2.gz	CGQYBXFLFXRHPR-SECBINFHSA-N	-1	0	294.355	0.967	20	30		CCEDRM
C#CC[C@H](NC(=O)[C@@H]1CCCc2nn(C)cc21)C(=O)[O-]	ZINC001334998368	919886503	/nfs/dbraw/zinc/88/65/03/919886503.db2.gz	QNZKXRVGNUFQJH-SKDRFNHKSA-N	-1	0	275.308	0.433	20	30		CCEDRM
CC(C)=C(C)C(=O)N1CC(n2cc(C#N)c(=O)[n-]c2=O)C1	ZINC001336289765	920700152	/nfs/dbraw/zinc/70/01/52/920700152.db2.gz	XDCHGAPGACDFTB-UHFFFAOYSA-N	-1	0	288.307	0.560	20	30		CCEDRM
C=CC[C@H](NC(=O)[C@H]1CCCN1C(=O)CCC)C(=O)[O-]	ZINC001339864652	921859158	/nfs/dbraw/zinc/85/91/58/921859158.db2.gz	CYWVNNPTJHRVFU-WDEREUQCSA-N	-1	0	282.340	0.923	20	30		CCEDRM
N#Cc1cc(C(=O)NCc2nc([O-])cc(=O)[nH]2)cs1	ZINC001418628628	922314465	/nfs/dbraw/zinc/31/44/65/922314465.db2.gz	ZNKMXRBFMXDELB-UHFFFAOYSA-N	-1	0	276.277	0.751	20	30		CCEDRM
C=CCSCCNC(=O)C(=O)[N-]OCC(C)C	ZINC001341032411	922323559	/nfs/dbraw/zinc/32/35/59/922323559.db2.gz	SSQUYXXQGACRRK-UHFFFAOYSA-N	-1	0	260.359	0.726	20	30		CCEDRM
N#CC1(C(=O)N2CCC(c3nnn[n-]3)CC2)CCOCC1	ZINC001418998873	922554666	/nfs/dbraw/zinc/55/46/66/922554666.db2.gz	UUIQIKXWVCHIPW-UHFFFAOYSA-N	-1	0	290.327	0.226	20	30		CCEDRM
C#CCCCCC(=O)[N-]S(=O)(=O)C1CCOCC1	ZINC001341710920	922636339	/nfs/dbraw/zinc/63/63/39/922636339.db2.gz	DPNNJDZFBRRFMB-UHFFFAOYSA-N	-1	0	273.354	0.805	20	30		CCEDRM
C#C[C@@H](C)N(C)c1nnc(-c2nn[nH]n2)n1CC(=C)C	ZINC001341751237	922655236	/nfs/dbraw/zinc/65/52/36/922655236.db2.gz	YXKKHMYDTDXHPO-SECBINFHSA-N	-1	0	272.316	0.492	20	30		CCEDRM
Cc1c(C([O-])=C(C#N)C(=O)NC2CCCC2)nnn1C	ZINC001341788405	922671336	/nfs/dbraw/zinc/67/13/36/922671336.db2.gz	ZZGDQCXOFJSVNX-JTQLQIEISA-N	-1	0	275.312	0.505	20	30		CCEDRM
CNC(=O)C(C#N)=C([O-])c1ccc(CS(C)(=O)=O)cc1	ZINC001342518876	922991335	/nfs/dbraw/zinc/99/13/35/922991335.db2.gz	JNUUOWYBNABCFT-LLVKDONJSA-N	-1	0	294.332	0.300	20	30		CCEDRM
COc1c(C([O-])=C(C#N)C(=O)NC2CCCC2)cnn1C	ZINC001342777534	923084880	/nfs/dbraw/zinc/08/48/80/923084880.db2.gz	CCSFTGSPVQIZFO-JTQLQIEISA-N	-1	0	290.323	0.810	20	30		CCEDRM
CC(C)(/C=C/Cl)NC(=O)Cn1cc(C#N)c(=O)[n-]c1=O	ZINC001419808762	923106735	/nfs/dbraw/zinc/10/67/35/923106735.db2.gz	WSBUWULHLUMQCA-ONEGZZNKSA-N	-1	0	296.714	0.468	20	30		CCEDRM
COCC(N=Nc1nnc(C)c(=O)[n-]1)C1CCOCC1	ZINC001343141893	923216770	/nfs/dbraw/zinc/21/67/70/923216770.db2.gz	FJIPHPRXSGFLDA-UHFFFAOYSA-N	-1	0	281.316	0.727	20	30		CCEDRM
Cn1cnc2c1nccc2C([O-])=C(C#N)C(=O)NC1CC1	ZINC001343384594	923292878	/nfs/dbraw/zinc/29/28/78/923292878.db2.gz	BYJKCBGRICGHCI-SNVBAGLBSA-N	-1	0	283.291	0.569	20	30		CCEDRM
CNC(=O)C(C#N)=C([O-])c1ccn(CC(F)F)n1	ZINC001343472060	923336173	/nfs/dbraw/zinc/33/61/73/923336173.db2.gz	ZPOWWCZELMHWKO-LURJTMIESA-N	-1	0	256.212	0.217	20	30		CCEDRM
CCn1nc(C)c(C([O-])=C(C#N)c2nccn2C)n1	ZINC001343717337	923441823	/nfs/dbraw/zinc/44/18/23/923441823.db2.gz	PEUSALUYQFLZTI-VIFPVBQESA-N	-1	0	258.285	0.830	20	30		CCEDRM
CC(=O)NCc1ccc(C([O-])=C(C#N)C(=O)NC2CC2)cc1	ZINC001343982187	923521484	/nfs/dbraw/zinc/52/14/84/923521484.db2.gz	GUPSPMNKFLKQFY-AWEZNQCLSA-N	-1	0	299.330	0.924	20	30		CCEDRM
C=CCOCCCC(=O)NC[C@H](C(=O)[O-])[C@H]1CCOC1	ZINC001345168850	923818732	/nfs/dbraw/zinc/81/87/32/923818732.db2.gz	FKDAOKPMEJOMLX-RYUDHWBXSA-N	-1	0	285.340	0.823	20	30		CCEDRM
C=CCCOCC(=O)N1CC[C@H](c2nnn[n-]2)C1	ZINC001347198459	924394771	/nfs/dbraw/zinc/39/47/71/924394771.db2.gz	OPBKMKPIRRGVAY-VIFPVBQESA-N	-1	0	251.290	0.108	20	30		CCEDRM
C=CCC[C@H](NC(=O)CN1CCC(CO)CC1)C(=O)[O-]	ZINC001347548347	924476460	/nfs/dbraw/zinc/47/64/60/924476460.db2.gz	QPFJKZNYZRVWSV-LBPRGKRZSA-N	-1	0	284.356	0.226	20	30		CCEDRM
C#CCCCC(=O)N1CCC[C@@H](Cc2nnn[n-]2)C1	ZINC001349213818	924909289	/nfs/dbraw/zinc/90/92/89/924909289.db2.gz	QQZWDNKBRUPTKS-NSHDSACASA-N	-1	0	261.329	0.784	20	30		CCEDRM
C=C[C@H](C)O[N-]C(=O)C(=O)Nc1ccn(CCOC)n1	ZINC001349571664	924991961	/nfs/dbraw/zinc/99/19/61/924991961.db2.gz	AOJCBPPHINDDAW-VIFPVBQESA-N	-1	0	282.300	0.090	20	30		CCEDRM
C=CC[C@@H](NC(=O)[C@@H]1CCn2cncc2C1)C(=O)[O-]	ZINC001350768390	925275542	/nfs/dbraw/zinc/27/55/42/925275542.db2.gz	LSBNMNVXWWUQNS-MWLCHTKSSA-N	-1	0	263.297	0.591	20	30		CCEDRM
C=CCC[C@H](NC(=O)C1(N2CCOCC2)CC1)C(=O)[O-]	ZINC001354046565	925996428	/nfs/dbraw/zinc/99/64/28/925996428.db2.gz	FBPMKHFVFLXPCP-NSHDSACASA-N	-1	0	282.340	0.387	20	30		CCEDRM
C=C(C)Cn1c(Cc2nn[nH]n2)nnc1N1CC[C@H](C)C1	ZINC001356228826	926356752	/nfs/dbraw/zinc/35/67/52/926356752.db2.gz	VQAUVDANWSYZKO-JTQLQIEISA-N	-1	0	288.359	0.804	20	30		CCEDRM
CCn1cccc1C([O-])=C(C#N)C(=O)NCCOC	ZINC001356254225	926360568	/nfs/dbraw/zinc/36/05/68/926360568.db2.gz	SJXDSLLGPTVMHM-JTQLQIEISA-N	-1	0	263.297	0.593	20	30		CCEDRM
Cn1ccnc1C(=O)C(C#N)=C([O-])c1cnc2n1CCC2	ZINC001357688820	926587276	/nfs/dbraw/zinc/58/72/76/926587276.db2.gz	IEZYXSLOKCRFOF-VIFPVBQESA-N	-1	0	283.291	0.768	20	30		CCEDRM
CCc1cccc(NC(=O)Cn2c(=O)[n-]cc(C#N)c2=O)c1	ZINC001421407431	926733372	/nfs/dbraw/zinc/73/33/72/926733372.db2.gz	FIGUYPLJGDIDOI-UHFFFAOYSA-N	-1	0	298.302	0.609	20	30		CCEDRM
C=CC[C@H](NC(=O)c1n[nH]c(=O)c2ccccc21)C(=O)[O-]	ZINC000150205230	926946789	/nfs/dbraw/zinc/94/67/89/926946789.db2.gz	WHDKBDXABJFXBN-JTQLQIEISA-N	-1	0	287.275	0.682	20	30		CCEDRM
Cc1ccncc1NC(=O)Cn1cc(C#N)c(=O)[n-]c1=O	ZINC001361799152	927339026	/nfs/dbraw/zinc/33/90/26/927339026.db2.gz	PAPIVSGGHJXIAV-UHFFFAOYSA-N	-1	0	285.263	0.163	20	30		CCEDRM
Cc1cc(C#N)c(=O)[n-]c1C(=O)NC[C@@H]1COCCO1	ZINC001361840467	927375801	/nfs/dbraw/zinc/37/58/01/927375801.db2.gz	UQHMHDXXJKOBRV-SNVBAGLBSA-N	-1	0	277.280	0.113	20	30		CCEDRM
CC1(C)C[C@H]1CNC(=O)CCn1cc(C#N)c(=O)[n-]c1=O	ZINC001362268938	927800909	/nfs/dbraw/zinc/80/09/09/927800909.db2.gz	JYIFREJIHWXTIA-JTQLQIEISA-N	-1	0	290.323	0.373	20	30		CCEDRM
C[C@H](CN(C)C(=O)[C@@]1(C#N)CCCOC1)c1nnn[n-]1	ZINC001362487038	928086964	/nfs/dbraw/zinc/08/69/64/928086964.db2.gz	CFONCXHQNVOAHZ-BXKDBHETSA-N	-1	0	278.316	0.082	20	30		CCEDRM
N#CC1CN(C(=O)c2cccc(-c3nc(=O)o[n-]3)c2)C1	ZINC001362497332	928100561	/nfs/dbraw/zinc/10/05/61/928100561.db2.gz	QQXSMUKAWVPBKS-UHFFFAOYSA-N	-1	0	270.248	0.625	20	30		CCEDRM
Cc1cc(C#N)c(=O)[n-]c1C(=O)N1CCN(C)C(=O)[C@@H]1C	ZINC001362517101	928123949	/nfs/dbraw/zinc/12/39/49/928123949.db2.gz	IEMFQCRTCYFUSD-VIFPVBQESA-N	-1	0	288.307	0.270	20	30		CCEDRM
Cc1cc(C#N)c(=O)[n-]c1C(=O)N[C@H]1CCc2c[nH]nc2C1	ZINC001362567545	928186887	/nfs/dbraw/zinc/18/68/87/928186887.db2.gz	LAYZEGJLEKZIEN-NSHDSACASA-N	-1	0	297.318	0.978	20	30		CCEDRM
Cc1cc(C#N)c(=O)[n-]c1C(=O)N[C@H]1C[C@@H](C)n2ncnc21	ZINC001362665115	928326189	/nfs/dbraw/zinc/32/61/89/928326189.db2.gz	KQYKUKNZFPHXMD-SCZZXKLOSA-N	-1	0	298.306	0.995	20	30		CCEDRM
N#Cc1cc(C(=O)N2CCSC[C@@H]2c2nnn[n-]2)co1	ZINC001362667318	928329551	/nfs/dbraw/zinc/32/95/51/928329551.db2.gz	GSNYMCFTLULYGK-SECBINFHSA-N	-1	0	290.308	0.595	20	30		CCEDRM
COC(=O)[C@H]1C[C@@H](C(=O)Nc2nc(C#N)c(C#N)[n-]2)C1	ZINC001362863146	928587363	/nfs/dbraw/zinc/58/73/63/928587363.db2.gz	FDLDKENCPIQAIL-KNVOCYPGSA-N	-1	0	273.252	0.291	20	30		CCEDRM
CC(C)[C@@H](NC(=O)Cn1cc(C#N)c(=O)[n-]c1=O)C1CC1	ZINC001363287504	929078150	/nfs/dbraw/zinc/07/81/50/929078150.db2.gz	NMQPYOAGBZJNSZ-GFCCVEGCSA-N	-1	0	290.323	0.371	20	30		CCEDRM
COC[C@H](NC(=O)c1cc(C#N)cs1)c1nnn[n-]1	ZINC001363410989	929195010	/nfs/dbraw/zinc/19/50/10/929195010.db2.gz	HPYVOFSIWVGLMK-ZETCQYMHSA-N	-1	0	278.297	0.250	20	30		CCEDRM
N#Cc1ccc(C(=O)N2CCC(Cc3nn[nH]n3)CC2)nc1	ZINC001363827210	929620788	/nfs/dbraw/zinc/62/07/88/929620788.db2.gz	FFVGDNLWLGCWMY-UHFFFAOYSA-N	-1	0	297.322	0.561	20	30		CCEDRM
Cc1ccc(C(=O)C=CC(=O)NCc2nc(=O)o[n-]2)cc1	ZINC001446617441	930449810	/nfs/dbraw/zinc/44/98/10/930449810.db2.gz	PWHXANOJKVPWKX-VOTSOKGWSA-N	-1	0	287.275	0.727	20	30		CCEDRM
C=CCO[N-]C(=O)CNC(=O)c1ccc([N+](=O)[O-])c(C)c1	ZINC001449659178	931175442	/nfs/dbraw/zinc/17/54/42/931175442.db2.gz	VWDXIYYFOGRVSE-UHFFFAOYSA-N	-1	0	293.279	0.867	20	30		CCEDRM
Cc1cc(NC(=O)NCC(=O)NCC#N)ccc1C(=O)[O-]	ZINC001600268199	970789091	/nfs/dbraw/zinc/78/90/91/970789091.db2.gz	CUKPFFZRXKMBTQ-UHFFFAOYSA-N	-1	0	290.279	0.455	20	30		CCEDRM
N#CCN1CCC(NC(=O)N[C@H]2CC[C@@H](C(=O)[O-])C2)CC1	ZINC001601073203	970927250	/nfs/dbraw/zinc/92/72/50/970927250.db2.gz	HPGAGPTYUZMWGC-PWSUYJOCSA-N	-1	0	294.355	0.527	20	30		CCEDRM
CC(=O)[N-]S(=O)(=O)c1ccc(-c2nn[nH]n2)cc1	ZINC000095133007	944609588	/nfs/dbraw/zinc/60/95/88/944609588.db2.gz	GDHLOVJXLRGZBH-UHFFFAOYSA-N	-1	0	267.270	0.532	20	30		CCEDRM
C#C[C@@H](NC(=O)[C@@H]1CC[C@H]1C(=O)[O-])[C@H]1CCCO1	ZINC001602673583	971240239	/nfs/dbraw/zinc/24/02/39/971240239.db2.gz	WMUOVFDOIYSNHZ-GWOFURMSSA-N	-1	0	251.282	0.394	20	30		CCEDRM
C#C[C@H](NC(=O)[C@@H]1CC[C@H]1C(=O)[O-])[C@H]1CCCO1	ZINC001602673535	971240264	/nfs/dbraw/zinc/24/02/64/971240264.db2.gz	WMUOVFDOIYSNHZ-CHWFTXMASA-N	-1	0	251.282	0.394	20	30		CCEDRM
C#CCCCc1nnc(N(CC#C)CC(=O)[O-])n1C	ZINC001602675593	971250872	/nfs/dbraw/zinc/25/08/72/971250872.db2.gz	BQBRDXDZBJOPRO-UHFFFAOYSA-N	-1	0	260.297	0.295	20	30		CCEDRM
C#CCN(C(=O)NCCOCCOCC(=O)[O-])C(C)C	ZINC001602675825	971253784	/nfs/dbraw/zinc/25/37/84/971253784.db2.gz	UXQUDUUKHBWOEK-UHFFFAOYSA-N	-1	0	286.328	0.157	20	30		CCEDRM
C#CCN(CC(=O)[O-])C(=O)[C@@H](C)Cc1c(C)n[nH]c1C	ZINC001602678995	971258246	/nfs/dbraw/zinc/25/82/46/971258246.db2.gz	JITGYGWOVLXDCN-VIFPVBQESA-N	-1	0	277.324	0.752	20	30		CCEDRM
C#CCN(C)C(=O)NC[C@H]1CCC2(CC(C(=O)[O-])C2)O1	ZINC001602679883	971262289	/nfs/dbraw/zinc/26/22/89/971262289.db2.gz	YNBAYIYYNYUOJD-IQLKVPPVSA-N	-1	0	280.324	0.673	20	30		CCEDRM
C#CCN(CC(=O)[O-])C(=O)C1=C(C)OCCS1	ZINC001602682628	971269091	/nfs/dbraw/zinc/26/90/91/971269091.db2.gz	QZUBFMNAECCNEB-UHFFFAOYSA-N	-1	0	255.295	0.528	20	30		CCEDRM
C#CCN(CC(=O)[O-])C(=O)COc1cccc(C=O)c1	ZINC001602683980	971277674	/nfs/dbraw/zinc/27/76/74/971277674.db2.gz	NFDLADZPFIEVBZ-UHFFFAOYSA-N	-1	0	275.260	0.424	20	30		CCEDRM
C#CCN(CC(=O)[O-])C(=O)[C@@H]1CCO[C@H]1C1CC1	ZINC001602691298	971294719	/nfs/dbraw/zinc/29/47/19/971294719.db2.gz	FTPFQVQXZXUIAZ-PWSUYJOCSA-N	-1	0	251.282	0.348	20	30		CCEDRM
C#CCN(CC(=O)[O-])C(=S)NCCc1cccnc1	ZINC001602692739	971304944	/nfs/dbraw/zinc/30/49/44/971304944.db2.gz	YLWKBBOHUDYIJY-UHFFFAOYSA-N	-1	0	277.349	0.518	20	30		CCEDRM
C#CCN(CC(=O)[O-])c1nnc(C(C)C)n1CC	ZINC001602699127	971315974	/nfs/dbraw/zinc/31/59/74/971315974.db2.gz	JHBIRJKMLNZWGT-UHFFFAOYSA-N	-1	0	250.302	0.946	20	30		CCEDRM
C#CCN(CC(=O)[O-])Cc1cnn(CC(F)F)c1	ZINC001602699544	971318132	/nfs/dbraw/zinc/31/81/32/971318132.db2.gz	WORHSELVRDCAIY-UHFFFAOYSA-N	-1	0	257.240	0.668	20	30		CCEDRM
C#C[C@H]1CC[C@H](NC(=O)[C@]2(C(=O)[O-])CCCO2)CC1	ZINC001602704710	971336315	/nfs/dbraw/zinc/33/63/15/971336315.db2.gz	PKLGWUGPFAPWBM-MJVIPROJSA-N	-1	0	265.309	0.928	20	30		CCEDRM
C#CCSCC(=O)N1CC[C@H](C)[C@H](C(=O)[O-])C1	ZINC001602704765	971337414	/nfs/dbraw/zinc/33/74/14/971337414.db2.gz	RWAYDFWDVABACA-VHSXEESVSA-N	-1	0	255.339	0.922	20	30		CCEDRM
C=C(C)CONC(=O)N1CC[C@@](COC)(C(=O)[O-])C1	ZINC001602710429	971351019	/nfs/dbraw/zinc/35/10/19/971351019.db2.gz	VZYBLRZFPFOHIX-GFCCVEGCSA-N	-1	0	272.301	0.627	20	30		CCEDRM
C=C(C)Cn1c(N2CC[C@@H](C(=O)[O-])C2)nnc1C1(O)CC1	ZINC001602712077	971353143	/nfs/dbraw/zinc/35/31/43/971353143.db2.gz	FYFBPTLKFUUHSJ-SNVBAGLBSA-N	-1	0	292.339	0.747	20	30		CCEDRM
C=C(C)Cn1nnnc1N1CC[C@@](C)(C(=O)[O-])C1	ZINC001602712483	971356313	/nfs/dbraw/zinc/35/63/13/971356313.db2.gz	SDVLDKYWUUGYLT-LLVKDONJSA-N	-1	0	251.290	0.550	20	30		CCEDRM
C=CCN1CC[C@@H](OC(=O)c2cnc(C(=O)[O-])cn2)C1=O	ZINC001602723100	971392845	/nfs/dbraw/zinc/39/28/45/971392845.db2.gz	LTPGSBCVVBQDNL-SNVBAGLBSA-N	-1	0	291.263	0.119	20	30		CCEDRM
C[C@](C#N)(CC(=O)[O-])C(=O)NCCCOC[C@@H]1CCOC1	ZINC001602780453	971518590	/nfs/dbraw/zinc/51/85/90/971518590.db2.gz	GNRFOAHQAFWQAK-SMDDNHRTSA-N	-1	0	298.339	0.550	20	30		CCEDRM
C[C@](C#N)(CC(=O)[O-])C(=O)N[C@H]1CO[C@@H](C2CC2)C1	ZINC001602781306	971522455	/nfs/dbraw/zinc/52/24/55/971522455.db2.gz	VKVJQHSLJXMTSZ-GIPNMCIBSA-N	-1	0	266.297	0.675	20	30		CCEDRM
C[C@@H](C#N)N(C1CC1)[C@@H]1CCN(CC(=O)[O-])C1=O	ZINC001602786084	971531267	/nfs/dbraw/zinc/53/12/67/971531267.db2.gz	FCFUKOPUMZETGU-WCBMZHEXSA-N	-1	0	251.286	0.048	20	30		CCEDRM
N#Cc1ccc(C(=O)NC2(C(=O)[O-])CCOCC2)nc1	ZINC000131768298	949291988	/nfs/dbraw/zinc/29/19/88/949291988.db2.gz	XWPTTYICGSFMBQ-UHFFFAOYSA-N	-1	0	275.264	0.317	20	30		CCEDRM
CCN(C[C@@H](C)C#N)C(=O)COC(=O)[C@H](C)C(=O)[O-]	ZINC001589720086	950410293	/nfs/dbraw/zinc/41/02/93/950410293.db2.gz	MJLWLSYUTGESRZ-DTWKUNHWSA-N	-1	0	270.285	0.258	20	30		CCEDRM
CCOC(=O)N1CC[C@@H](NC(=O)[C@](C)(C#N)CC(=O)[O-])C1	ZINC001590873187	951005717	/nfs/dbraw/zinc/00/57/17/951005717.db2.gz	KIUNVEXIGDEBCG-RNCFNFMXSA-N	-1	0	297.311	0.338	20	30		CCEDRM
C#CCN(CC(=O)[O-])C(=O)NCc1sc(C)nc1C	ZINC000381774048	951213593	/nfs/dbraw/zinc/21/35/93/951213593.db2.gz	WYTRLTNXFOLPGV-UHFFFAOYSA-N	-1	0	281.337	0.989	20	30		CCEDRM
CCOc1cc(C#N)ccc1OC(=O)[C@H](OC)C(=O)[O-]	ZINC001592009699	951294120	/nfs/dbraw/zinc/29/41/20/951294120.db2.gz	VYBOMJCVXNHXJM-LLVKDONJSA-N	-1	0	279.248	0.962	20	30		CCEDRM
N#CCSCC(=O)N[C@H](CC(F)(F)F)C(=O)[O-]	ZINC000383435325	971869597	/nfs/dbraw/zinc/86/95/97/971869597.db2.gz	FFEWBPLGQCFBHC-RXMQYKEDSA-N	-1	0	270.232	0.765	20	30		CCEDRM
CN(C)S(=O)(=O)N(CC#N)Cc1ccc(C(=O)[O-])cc1	ZINC000586183419	953737901	/nfs/dbraw/zinc/73/79/01/953737901.db2.gz	OBPVEUGSDBOOKB-UHFFFAOYSA-N	-1	0	297.336	0.517	20	30		CCEDRM
O=C([O-])c1ncccc1NC(=O)N[C@@H]1CCCN(O)C1=O	ZINC001594811749	953835589	/nfs/dbraw/zinc/83/55/89/953835589.db2.gz	JGKOGRIXNPKCNJ-MRVPVSSYSA-N	-1	0	294.267	0.282	20	30		CCEDRM
C[C@@H]1CC[C@H](CNC(=O)[C@](C)(C#N)CC(=O)[O-])O1	ZINC001589324342	953888626	/nfs/dbraw/zinc/88/86/26/953888626.db2.gz	UIVOLRCEYIWIQM-LNLATYFQSA-N	-1	0	254.286	0.675	20	30		CCEDRM
C[C@@H]1CCN(C(=O)[C@](C)(C#N)CC(=O)[O-])C[C@@H]1CO	ZINC001589336422	953995343	/nfs/dbraw/zinc/99/53/43/953995343.db2.gz	LCBPUVIIHSXUQD-BREBYQMCSA-N	-1	0	268.313	0.468	20	30		CCEDRM
C[C@@H](CC(=O)[O-])NC(=O)c1cccc(C#CCO)c1	ZINC001589002413	955341306	/nfs/dbraw/zinc/34/13/06/955341306.db2.gz	RCYQPHTUENHVFU-JTQLQIEISA-N	-1	0	261.277	0.623	20	30		CCEDRM
Cn1c(C#N)ccc1C(=O)OCC1(C(=O)[O-])CCOCC1	ZINC001594517864	955430232	/nfs/dbraw/zinc/43/02/32/955430232.db2.gz	QDXDHGWSIGXKTL-UHFFFAOYSA-N	-1	0	292.291	0.935	20	30		CCEDRM
COC(=O)[C@@H]1CCN(C(=O)[C@](C)(C#N)CC(=O)[O-])C[C@@H]1C	ZINC001593861110	955545305	/nfs/dbraw/zinc/54/53/05/955545305.db2.gz	LAAQJIRPYXKULJ-RBZYPMLTSA-N	-1	0	296.323	0.649	20	30		CCEDRM
CO[C@H](C(=O)[O-])C(=O)[C@@H](C#N)c1cccc(F)n1	ZINC001593901275	955870353	/nfs/dbraw/zinc/87/03/53/955870353.db2.gz	TUALESMCAJRYLX-WKEGUHRASA-N	-1	0	252.201	0.497	20	30		CCEDRM
CC(C)OC(=O)CCCNC(=O)[C@@](C)(C#N)CC(=O)[O-]	ZINC001603074579	972141887	/nfs/dbraw/zinc/14/18/87/972141887.db2.gz	RJZBXKIFZHPYNL-CYBMUJFWSA-N	-1	0	284.312	0.839	20	30		CCEDRM
CO[C@H](C(=O)[O-])C(=O)O[C@H](CC#N)c1ccco1	ZINC001593914805	956011054	/nfs/dbraw/zinc/01/10/54/956011054.db2.gz	KOSXMTXSZNWVEV-RKDXNWHRSA-N	-1	0	253.210	0.877	20	30		CCEDRM
Cn1nccc1CCNC(=O)[C@](C)(C#N)CC(=O)[O-]	ZINC001594596645	956098509	/nfs/dbraw/zinc/09/85/09/956098509.db2.gz	HIMNNIQYBUOKIG-LBPRGKRZSA-N	-1	0	264.285	0.083	20	30		CCEDRM
CO[C@@](C)(C(=O)[O-])C(=O)OCC#Cc1ccccn1	ZINC001593929916	956162535	/nfs/dbraw/zinc/16/25/35/956162535.db2.gz	GCWAFQWIWGINSH-ZDUSSCGKSA-N	-1	0	263.249	0.466	20	30		CCEDRM
N#C[C@H]1CC[C@@H](OC(=O)c2cccn(CC(=O)[O-])c2=O)C1	ZINC001594606524	956184129	/nfs/dbraw/zinc/18/41/29/956184129.db2.gz	YTGSHHHSWNPGOJ-VHSXEESVSA-N	-1	0	290.275	0.782	20	30		CCEDRM
N#CC[C@@]1(O)CCN(C(=O)NC[C@@H](C(=O)[O-])C2CCC2)C1	ZINC001594606600	956185315	/nfs/dbraw/zinc/18/53/15/956185315.db2.gz	WXGHVYDLCZNGTF-BXUZGUMPSA-N	-1	0	295.339	0.547	20	30		CCEDRM
N#CC[C@@H]1CCCN(C(=O)NCCOCC(=O)[O-])C1	ZINC001594606634	956186307	/nfs/dbraw/zinc/18/63/07/956186307.db2.gz	YGVQSUNTIVJEGN-JTQLQIEISA-N	-1	0	269.301	0.423	20	30		CCEDRM
N#CCc1cccc(NC(=O)CSCC(=O)[O-])n1	ZINC001594611060	956211458	/nfs/dbraw/zinc/21/14/58/956211458.db2.gz	MFKVEVDJPJOHRI-UHFFFAOYSA-N	-1	0	265.294	0.904	20	30		CCEDRM
N#CC[C@@H]1CC[C@H](NC(=O)c2cnc(C(=O)[O-])cn2)C1	ZINC001594611437	956214889	/nfs/dbraw/zinc/21/48/89/956214889.db2.gz	PJUBCSMNWUZPNM-IUCAKERBSA-N	-1	0	274.280	0.987	20	30		CCEDRM
N#Cc1ccc(CNC(=O)[C@@]2(C(=O)[O-])CCCO2)nc1	ZINC001594620874	956278961	/nfs/dbraw/zinc/27/89/61/956278961.db2.gz	SUXYTHVJHAOIPK-CYBMUJFWSA-N	-1	0	275.264	0.203	20	30		CCEDRM
N#Cc1ccc(CNC(=O)[C@@H](C(=O)[O-])C2CC2)nc1	ZINC001594621067	956283321	/nfs/dbraw/zinc/28/33/21/956283321.db2.gz	ZZXXPRZKCRZYKQ-NSHDSACASA-N	-1	0	259.265	0.680	20	30		CCEDRM
C[C@@H](OC(=O)C1(C(=O)[O-])CCC1)C(=O)NC1(C#N)CCC1	ZINC001589158763	956386165	/nfs/dbraw/zinc/38/61/65/956386165.db2.gz	MDBLHBABRWJQOZ-SECBINFHSA-N	-1	0	294.307	0.735	20	30		CCEDRM
CC(C)(C)[C@H](C(=O)[O-])C(=O)N1CCO[C@@](C)(C#N)C1	ZINC001589181474	956524039	/nfs/dbraw/zinc/52/40/39/956524039.db2.gz	JEPVEDHESITFRR-ZANVPECISA-N	-1	0	268.313	0.874	20	30		CCEDRM
C[C@]1(C#N)CCCN(C(=O)C(=O)NCCCCC(=O)[O-])C1	ZINC001589182911	956543269	/nfs/dbraw/zinc/54/32/69/956543269.db2.gz	VAWCHYLNNCGZSI-CQSZACIVSA-N	-1	0	295.339	0.510	20	30		CCEDRM
O=C([O-])[C@]12COC[C@H]1CN(C(=O)C#Cc1ccccc1)C2	ZINC001594668749	956601820	/nfs/dbraw/zinc/60/18/20/956601820.db2.gz	ZOLQSLVZPSPMCU-CZUORRHYSA-N	-1	0	285.299	0.598	20	30		CCEDRM
CC1(C)C[C@@]1(C(=O)[O-])C(=O)N1CCN(C2CC2)[C@H](C#N)C1	ZINC001589212216	956701095	/nfs/dbraw/zinc/70/10/95/956701095.db2.gz	IDCMMVWAABONIS-ABAIWWIYSA-N	-1	0	291.351	0.686	20	30		CCEDRM
CCN(CC(=O)[O-])CC(=O)Nc1cccc(C#N)c1	ZINC000038018007	957347217	/nfs/dbraw/zinc/34/72/17/957347217.db2.gz	FHYLRZDZQYEVMF-UHFFFAOYSA-N	-1	0	261.281	0.903	20	30		CCEDRM
Cc1oc(C(=O)[O-])cc1S(=O)(=O)N[C@@H](C)CC#N	ZINC000055312698	957544114	/nfs/dbraw/zinc/54/41/14/957544114.db2.gz	URQKBWOGDSUPQT-LURJTMIESA-N	-1	0	272.282	0.867	20	30		CCEDRM
Cc1oc(C(=O)[O-])cc1S(=O)(=O)N[C@H](C)CC#N	ZINC000055312703	957544267	/nfs/dbraw/zinc/54/42/67/957544267.db2.gz	URQKBWOGDSUPQT-ZCFIWIBFSA-N	-1	0	272.282	0.867	20	30		CCEDRM
C#CC1(O)CN(C(=O)[C@H](C(=O)[O-])C2CCCC2)C1	ZINC001588386665	957981404	/nfs/dbraw/zinc/98/14/04/957981404.db2.gz	UGXLJJQKXLCFMC-SNVBAGLBSA-N	-1	0	251.282	0.084	20	30		CCEDRM
C#C[C@H](NC(=O)N1CCO[C@](COC)(C(=O)[O-])C1)C(C)C	ZINC001588387015	957984273	/nfs/dbraw/zinc/98/42/73/957984273.db2.gz	XCOMGRHEQJCHNU-SMDDNHRTSA-N	-1	0	298.339	0.156	20	30		CCEDRM
C#C[C@@H](NC(=O)c1cc(C(=O)[O-])nn1C)C(C)(C)C	ZINC001588387222	957985564	/nfs/dbraw/zinc/98/55/64/957985564.db2.gz	ZNFBFCOVEATMHH-SNVBAGLBSA-N	-1	0	263.297	0.896	20	30		CCEDRM
C#C[C@@H](NC(=O)CSCC(=O)[O-])C1CCOCC1	ZINC001588388209	957991218	/nfs/dbraw/zinc/99/12/18/957991218.db2.gz	QBXXMAMYMKYNHV-SNVBAGLBSA-N	-1	0	271.338	0.349	20	30		CCEDRM
C#C[C@H](CCC)NC(=O)N1C[C@@H]2COC[C@]2(C(=O)[O-])C1	ZINC001588388048	957992095	/nfs/dbraw/zinc/99/20/95/957992095.db2.gz	PBFORRDVRFPTJK-JTNHKYCSSA-N	-1	0	280.324	0.531	20	30		CCEDRM
C#CC[C@@H](NC(=O)c1ccc(C(=O)[O-])cc1)C(=O)OC	ZINC001588388428	957993070	/nfs/dbraw/zinc/99/30/70/957993070.db2.gz	AFVWSZLPOVFUHA-LLVKDONJSA-N	-1	0	275.260	0.680	20	30		CCEDRM
C#CC[C@@H](COC)OC(=O)c1ccc(C(=O)[O-])cn1	ZINC001588388811	958000974	/nfs/dbraw/zinc/00/09/74/958000974.db2.gz	HBNFWXAPKFYFGT-JTQLQIEISA-N	-1	0	263.249	0.975	20	30		CCEDRM
C#CC[C@@H](COC)NC(=O)N1CC[C@@](COC)(C(=O)[O-])C1	ZINC001588389448	958009201	/nfs/dbraw/zinc/00/92/01/958009201.db2.gz	VEVGPPSDOCNQOF-SMDDNHRTSA-N	-1	0	298.339	0.157	20	30		CCEDRM
C#CCC[N@H+]1CCC[C@H]([N-]C(=O)C(F)(F)F)[C@H]1C(=O)[O-]	ZINC001588390978	958018945	/nfs/dbraw/zinc/01/89/45/958018945.db2.gz	XWGBFXYWDIUIBP-IUCAKERBSA-N	-1	0	292.257	0.606	20	30		CCEDRM
C#CC[C@@H]1CCN(C(=O)[C@@H]2CCCN(CC(=O)[O-])C2=O)C1	ZINC001588391201	958020598	/nfs/dbraw/zinc/02/05/98/958020598.db2.gz	COWRIVWBWOYNKA-VXGBXAGGSA-N	-1	0	292.335	0.181	20	30		CCEDRM
C#CCN(CC(=O)[O-])C(=O)[C@@H]1C[C@@]12C(=O)Nc1ccccc12	ZINC001588398633	958068445	/nfs/dbraw/zinc/06/84/45/958068445.db2.gz	AVZGBLFTMTVKDC-ZBEGNZNMSA-N	-1	0	298.298	0.443	20	30		CCEDRM
C[C@H](CC(=O)[O-])S(=O)(=O)Cc1ccnc(C#N)c1	ZINC000090098556	958091596	/nfs/dbraw/zinc/09/15/96/958091596.db2.gz	KRJSXANPCFNWDK-MRVPVSSYSA-N	-1	0	268.294	0.731	20	30		CCEDRM
C#CCN(CC(=O)[O-])C(=O)NCc1noc2c1CCCC2	ZINC001588408795	958117364	/nfs/dbraw/zinc/11/73/64/958117364.db2.gz	FLTZDFJALHWSQR-UHFFFAOYSA-N	-1	0	291.307	0.783	20	30		CCEDRM
C#CCN(CC(=O)[O-])C(=O)N[C@H]1CCCC12OCCO2	ZINC001588410165	958135956	/nfs/dbraw/zinc/13/59/56/958135956.db2.gz	PVRHGIRTVCNOJZ-JTQLQIEISA-N	-1	0	282.296	0.011	20	30		CCEDRM
C#CCN(CC(=O)[O-])C(=O)c1ccc(COC)o1	ZINC001588416140	958161769	/nfs/dbraw/zinc/16/17/69/958161769.db2.gz	IEKQLXFEAKTNFN-UHFFFAOYSA-N	-1	0	251.238	0.586	20	30		CCEDRM
C#CCN(CC(=O)[O-])C(=O)c1cnc2n1CCCCC2	ZINC001588418571	958181861	/nfs/dbraw/zinc/18/18/61/958181861.db2.gz	MLWCEQYWTWRZAB-UHFFFAOYSA-N	-1	0	275.308	0.770	20	30		CCEDRM
C[C@@H]1[C@@H](C(=O)[O-])CCN1C(=O)c1ccc(C#N)cn1	ZINC000092917151	958182474	/nfs/dbraw/zinc/18/24/74/958182474.db2.gz	BOJDBESAWMQCBE-SCZZXKLOSA-N	-1	0	259.265	0.888	20	30		CCEDRM
C#CCN(CC(=O)[O-])C(=O)c1ccc2c(c1)CCOC2	ZINC001588418637	958182230	/nfs/dbraw/zinc/18/22/30/958182230.db2.gz	APZQWFOHTXULCK-UHFFFAOYSA-N	-1	0	273.288	0.919	20	30		CCEDRM
C#CCN(CC(=O)[O-])C(=O)c1cccc(NC(N)=O)c1	ZINC001588418886	958187949	/nfs/dbraw/zinc/18/79/49/958187949.db2.gz	IQCXICYONIPSTA-UHFFFAOYSA-N	-1	0	275.264	0.337	20	30		CCEDRM
C#CCN(CC(=O)[O-])C(=O)c1cccc(C#CCO)c1	ZINC001588419053	958190670	/nfs/dbraw/zinc/19/06/70/958190670.db2.gz	NWDCGSJTZFUSPW-UHFFFAOYSA-N	-1	0	271.272	0.190	20	30		CCEDRM
C#CCN(CC(=O)[O-])[C@H](C)C(=O)N1CCc2ccccc21	ZINC001588420305	958202959	/nfs/dbraw/zinc/20/29/59/958202959.db2.gz	VCLVGPNBLNCXJD-GFCCVEGCSA-N	-1	0	286.331	0.984	20	30		CCEDRM
C#CCN(CC(=O)[O-])C[C@H](O)CC[C@H](O)c1ccccc1	ZINC001588424132	958210431	/nfs/dbraw/zinc/21/04/31/958210431.db2.gz	JZHGIVNGGVOYTF-CABCVRRESA-N	-1	0	291.347	0.881	20	30		CCEDRM
C#CCN(CC(=O)[O-])c1nnc([C@@H](C)C(C)(C)O)n1C	ZINC001588426951	958237029	/nfs/dbraw/zinc/23/70/29/958237029.db2.gz	HYSCJJXQLQKMOG-SECBINFHSA-N	-1	0	280.328	0.214	20	30		CCEDRM
C#CCN1CCC[C@H]1C(=O)N[C@H]1CC[C@@H](C(=O)[O-])C1	ZINC001588430399	958256237	/nfs/dbraw/zinc/25/62/37/958256237.db2.gz	LLYZQIZUUGACPS-WOPDTQHZSA-N	-1	0	264.325	0.454	20	30		CCEDRM
C#CCN1CCC[C@H](NC(=O)N2CC[C@@](C)(C(=O)[O-])C2)C1	ZINC001588430938	958261583	/nfs/dbraw/zinc/26/15/83/958261583.db2.gz	QRPUELFOMVYZRF-SWLSCSKDSA-N	-1	0	293.367	0.590	20	30		CCEDRM
C#CCn1ccc(CN(CCOC)[C@@H](CC)C(=O)[O-])n1	ZINC001588432802	958288051	/nfs/dbraw/zinc/28/80/51/958288051.db2.gz	DVKRDNZTGCPSBW-ZDUSSCGKSA-N	-1	0	279.340	0.828	20	30		CCEDRM
C=C(C)CN(C)C(=O)NCCOCCOCC(=O)[O-]	ZINC001588439844	958324945	/nfs/dbraw/zinc/32/49/45/958324945.db2.gz	IHBOXVFAVLGLAP-UHFFFAOYSA-N	-1	0	274.317	0.322	20	30		CCEDRM
C=C(C)C[C@H](NC(C)=O)C(=O)NC[C@H](C)C(=O)[O-]	ZINC001588442693	958347894	/nfs/dbraw/zinc/34/78/94/958347894.db2.gz	VFXNNIVCPLMVCP-WPRPVWTQSA-N	-1	0	256.302	0.294	20	30		CCEDRM
C=C(C)[C@@H]1OCC[C@@H]1C(=O)OCc1cn(CC(=O)[O-])nn1	ZINC001588444563	958363089	/nfs/dbraw/zinc/36/30/89/958363089.db2.gz	IRZMDKRADGDLHU-JQWIXIFHSA-N	-1	0	295.295	0.387	20	30		CCEDRM
C=C(Cl)Cn1nnnc1N1CCC[C@H](C(=O)[O-])C1	ZINC001588445341	958372092	/nfs/dbraw/zinc/37/20/92/958372092.db2.gz	FPTDRIQSOBMMKK-QMMMGPOBSA-N	-1	0	271.708	0.727	20	30		CCEDRM
C=C(Cl)Cn1nnnc1N1CC[C@@H](C(=O)[O-])[C@@H](C)C1	ZINC001588445979	958378248	/nfs/dbraw/zinc/37/82/48/958378248.db2.gz	XTSDVQCBEUGUQR-IONNQARKSA-N	-1	0	285.735	0.973	20	30		CCEDRM
C=C[C@](C)(O)CC(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)[O-]	ZINC001588451199	958407904	/nfs/dbraw/zinc/40/79/04/958407904.db2.gz	OTPGNPTZEHGKOT-WFASDCNBSA-N	-1	0	293.319	0.831	20	30		CCEDRM
C=C[C@@H](COC)NC(=O)NCC1(C(=O)[O-])CCC1	ZINC001588451281	958409404	/nfs/dbraw/zinc/40/94/04/958409404.db2.gz	RIVKSPCJOXFSSD-VIFPVBQESA-N	-1	0	256.302	0.742	20	30		CCEDRM
C=C[C@H](O)C(=O)Nc1cnn(C(C)(C)C(=O)[O-])c1	ZINC001588452024	958417490	/nfs/dbraw/zinc/41/74/90/958417490.db2.gz	HLOJDEXAYIUQTN-QMMMGPOBSA-N	-1	0	253.258	0.188	20	30		CCEDRM
C=CC[C@H](CO)CNC(=O)Nc1ccn(CC(=O)[O-])n1	ZINC001588453076	958431357	/nfs/dbraw/zinc/43/13/57/958431357.db2.gz	NFPZQTJSRNRMOL-VIFPVBQESA-N	-1	0	282.300	0.274	20	30		CCEDRM
C=C[C@H]1CCCCN1S(=O)(=O)N1CCC[C@H]1C(=O)[O-]	ZINC001588453417	958438372	/nfs/dbraw/zinc/43/83/72/958438372.db2.gz	YTWWMKBZBYGSPK-QWRGUYRKSA-N	-1	0	288.369	0.821	20	30		CCEDRM
C=CCC[C@@H](CO)NC(=O)[C@H]1CC[C@@H](C(=O)[O-])C1	ZINC001588457037	958442893	/nfs/dbraw/zinc/44/28/93/958442893.db2.gz	HGWRPLHRQPGQBI-AXFHLTTASA-N	-1	0	255.314	0.931	20	30		CCEDRM
C=CCCn1cc(C[N@H+]2CC[C@](COC)(C(=O)[O-])C2)nn1	ZINC001588460440	958474209	/nfs/dbraw/zinc/47/42/09/958474209.db2.gz	HDRGHEDEKBSZIM-AWEZNQCLSA-N	-1	0	294.355	0.777	20	30		CCEDRM
C=CCN(C(=O)C(=O)Nc1ccn(CC(=O)[O-])n1)C(C)C	ZINC001588460470	958476659	/nfs/dbraw/zinc/47/66/59/958476659.db2.gz	JNLHBTGXZSIUAU-UHFFFAOYSA-N	-1	0	294.311	0.329	20	30		CCEDRM
C#CCN(CC(=O)[O-])C(=O)c1ccncc1NC(C)=O	ZINC001573320525	958478734	/nfs/dbraw/zinc/47/87/34/958478734.db2.gz	LSJUJFGZGYHIPP-UHFFFAOYSA-N	-1	0	275.264	0.200	20	30		CCEDRM
C=CCOC[C@@H]1NC(=O)N(C[C@H](C(=O)[O-])C(C)C)C1=O	ZINC001588465220	958498404	/nfs/dbraw/zinc/49/84/04/958498404.db2.gz	RCRICFNKBLDAEA-UWVGGRQHSA-N	-1	0	284.312	0.466	20	30		CCEDRM
C=CCn1c([C@H](C)CO)nnc1N1CCC[C@H](C(=O)[O-])C1	ZINC001588470973	958534161	/nfs/dbraw/zinc/53/41/61/958534161.db2.gz	YIOZFJIXWCUUQS-MNOVXSKESA-N	-1	0	294.355	0.861	20	30		CCEDRM
C=CCn1c(CO)nnc1N1CC[C@H](C(=O)[O-])[C@@H](C)C1	ZINC001588471777	958537072	/nfs/dbraw/zinc/53/70/72/958537072.db2.gz	DAJPJVJYLSHOSZ-UWVGGRQHSA-N	-1	0	280.328	0.503	20	30		CCEDRM
C=CCn1c(N2CC[C@H](C(=O)[O-])C2)nnc1C(C)(C)O	ZINC001588472124	958540296	/nfs/dbraw/zinc/54/02/96/958540296.db2.gz	JUNAFAJRUBCRTD-VIFPVBQESA-N	-1	0	280.328	0.602	20	30		CCEDRM
C=CCn1c([C@@H]2CCOC2)nnc1N1CC[C@H](C(=O)[O-])C1	ZINC001588473345	958551920	/nfs/dbraw/zinc/55/19/20/958551920.db2.gz	XZMRYOYPNUHMDZ-WDEREUQCSA-N	-1	0	292.339	0.879	20	30		CCEDRM
C=C[C@@H]1OCC[C@H]1C(=O)N(CCNC(C)=O)[C@@H](C)C(=O)[O-]	ZINC001588478368	958565373	/nfs/dbraw/zinc/56/53/73/958565373.db2.gz	JCIDFYNUXIWJCY-WCQGTBRESA-N	-1	0	298.339	0.015	20	30		CCEDRM
C=C[C@@H]1OCC[C@H]1NC(=O)c1cc(C(=O)[O-])n[nH]1	ZINC001588478775	958572779	/nfs/dbraw/zinc/57/27/79/958572779.db2.gz	VZTZSZZXAKFDQI-MUWHJKNJSA-N	-1	0	251.242	0.181	20	30		CCEDRM
CC#CC(=O)N[C@@H](CC(=O)OCc1ccccc1)C(=O)[O-]	ZINC001588478852	958573818	/nfs/dbraw/zinc/57/38/18/958573818.db2.gz	NGHWJTAHDLINEZ-LBPRGKRZSA-N	-1	0	289.287	0.713	20	30		CCEDRM
C[C@@](C#N)(CC(=O)[O-])C(=O)N1CCc2cccnc21	ZINC001573360575	958592528	/nfs/dbraw/zinc/59/25/28/958592528.db2.gz	WAWBADQXJODHRK-ZDUSSCGKSA-N	-1	0	259.265	0.975	20	30		CCEDRM
C[C@](C#N)(CC(=O)[O-])C(=O)N[C@@H]1CCO[C@H]1C1CC1	ZINC001573362973	958603892	/nfs/dbraw/zinc/60/38/92/958603892.db2.gz	HOHMVGCFYXNAJG-SUZMYJTESA-N	-1	0	266.297	0.675	20	30		CCEDRM
C[C@](C#N)(CC(=O)[O-])C(=O)NCc1cnc2n1CCOC2	ZINC001573363748	958609345	/nfs/dbraw/zinc/60/93/45/958609345.db2.gz	LNOFJSYSATWDMD-CYBMUJFWSA-N	-1	0	292.295	0.034	20	30		CCEDRM
C[C@@](C#N)(CC(=O)[O-])C(=O)NCCSCCCO	ZINC001573363717	958609827	/nfs/dbraw/zinc/60/98/27/958609827.db2.gz	LEDZDJQJIAPPKI-NSHDSACASA-N	-1	0	274.342	0.223	20	30		CCEDRM
C[C@](C#N)(CC(=O)[O-])C(=O)N[C@H](CO)C[C@@H]1CCCO1	ZINC001573365062	958618863	/nfs/dbraw/zinc/61/88/63/958618863.db2.gz	RROYLECLPLNZFQ-OUJBWJOFSA-N	-1	0	284.312	0.037	20	30		CCEDRM
Cc1ccnc(N2CCOC[C@H]2CC(=O)[O-])c1C#N	ZINC000135053840	958883341	/nfs/dbraw/zinc/88/33/41/958883341.db2.gz	PQOUVDADWCIRCG-SNVBAGLBSA-N	-1	0	261.281	0.942	20	30		CCEDRM
C[C@@](C#N)(CC(=O)[O-])C(=O)N(CCO)CC1CC1	ZINC001588536217	958933751	/nfs/dbraw/zinc/93/37/51/958933751.db2.gz	UUKSXQITOFMXLM-LBPRGKRZSA-N	-1	0	254.286	0.222	20	30		CCEDRM
C[C@@](C#N)(CC(=O)[O-])C(=O)N1CCC[C@H](O)CC1	ZINC001588538835	958946023	/nfs/dbraw/zinc/94/60/23/958946023.db2.gz	OHRQJXFXQQAETH-CABZTGNLSA-N	-1	0	254.286	0.364	20	30		CCEDRM
C[C@@](C#N)(CC(=O)[O-])C(=O)N1CCO[C@H](C2CC2)C1	ZINC001588539035	958949924	/nfs/dbraw/zinc/94/99/24/958949924.db2.gz	UPQZWFKEPRMPQC-GWCFXTLKSA-N	-1	0	266.297	0.628	20	30		CCEDRM
C#CC[C@H](NC(=O)COc1ccccc1F)C(=O)[O-]	ZINC000149587572	959018771	/nfs/dbraw/zinc/01/87/71/959018771.db2.gz	ZZACLBKMBUHJBX-JTQLQIEISA-N	-1	0	265.240	0.797	20	30		CCEDRM
C#CC[C@H](NC(=O)c1cccc(Cl)n1)C(=O)[O-]	ZINC000149768428	959026295	/nfs/dbraw/zinc/02/62/95/959026295.db2.gz	YPBAQLZORTVMQG-QMMMGPOBSA-N	-1	0	252.657	0.941	20	30		CCEDRM
C[C@@](C#N)(CC(=O)[O-])C(=O)NC[C@H]1CN(C2CC2)C(=O)O1	ZINC001588557100	959063454	/nfs/dbraw/zinc/06/34/54/959063454.db2.gz	FUMXYKRYFCHTCG-ZANVPECISA-N	-1	0	295.295	0.090	20	30		CCEDRM
CC(C)C[C@](C)(C#N)NC(=O)c1cn(CC(=O)[O-])nn1	ZINC001573501237	959064305	/nfs/dbraw/zinc/06/43/05/959064305.db2.gz	GYNSXOUBXVFUIT-GFCCVEGCSA-N	-1	0	279.300	0.421	20	30		CCEDRM
C[C@@](C#N)(CC(=O)[O-])C(=O)NCC1(CO)CCC1	ZINC001588557275	959066621	/nfs/dbraw/zinc/06/66/21/959066621.db2.gz	IHDXBKYTAWUTLP-NSHDSACASA-N	-1	0	254.286	0.270	20	30		CCEDRM
C[C@@H]1C[C@H](O)CN(C(=O)[C@](C)(C#N)CC(=O)[O-])C1	ZINC001594229747	959460541	/nfs/dbraw/zinc/46/05/41/959460541.db2.gz	SHJOESVRXVWHCO-PTRXPTGYSA-N	-1	0	254.286	0.220	20	30		CCEDRM
C[C@@]1(C#N)CCCN(C(=O)c2cn(CC(=O)[O-])nn2)C1	ZINC001573641261	959611957	/nfs/dbraw/zinc/61/19/57/959611957.db2.gz	BKAHCDVUDZNUJO-LBPRGKRZSA-N	-1	0	277.284	0.129	20	30		CCEDRM
Cc1c(C#N)c(=O)n(CCCC(=O)[O-])c(=O)n1C1CC1	ZINC001594252672	959624395	/nfs/dbraw/zinc/62/43/95/959624395.db2.gz	FLKCWDZTXMWXAO-UHFFFAOYSA-N	-1	0	277.280	0.390	20	30		CCEDRM
N#CCCNS(=O)(=O)c1ccc(/C=C\C(=O)[O-])cc1	ZINC000199735223	959634693	/nfs/dbraw/zinc/63/46/93/959634693.db2.gz	KAYJCKIMGBDAJW-DAXSKMNVSA-N	-1	0	280.305	0.976	20	30		CCEDRM
N#Cc1ccccc1OCC(=O)NC1(C(=O)[O-])CC1	ZINC000203648965	959645367	/nfs/dbraw/zinc/64/53/67/959645367.db2.gz	KFJYFXLKBMHIBM-UHFFFAOYSA-N	-1	0	260.249	0.670	20	30		CCEDRM
Cc1nnsc1CNC(=O)[C@@](C)(C#N)CC(=O)[O-]	ZINC001594495297	959746797	/nfs/dbraw/zinc/74/67/97/959746797.db2.gz	NDIULCZANHERMW-SNVBAGLBSA-N	-1	0	268.298	0.467	20	30		CCEDRM
COc1cc(C(=O)[O-])ccc1S(=O)(=O)NCCCC#N	ZINC000223706210	959839793	/nfs/dbraw/zinc/83/97/93/959839793.db2.gz	GYNICJHFGJLNLU-UHFFFAOYSA-N	-1	0	298.320	0.975	20	30		CCEDRM
C[C@@H](OC(=O)[C@](C)(C#N)CC(=O)[O-])C(=O)C1CCOCC1	ZINC001603268917	972470717	/nfs/dbraw/zinc/47/07/17/972470717.db2.gz	PXMJIBRZHZHMBO-OTYXRUKQSA-N	-1	0	297.307	0.918	20	30		CCEDRM
C#CC[C@@H](NS(=O)(=O)CCC(C)(C)C)C(=O)[O-]	ZINC000230100288	960127473	/nfs/dbraw/zinc/12/74/73/960127473.db2.gz	BEXJZRFAYSOFBO-SECBINFHSA-N	-1	0	261.343	0.819	20	30		CCEDRM
CCN(C(C)(C)C(=O)[O-])S(=O)(=O)c1cccnc1C#N	ZINC000233423043	960319545	/nfs/dbraw/zinc/31/95/45/960319545.db2.gz	CTGCBSCCEAERDT-UHFFFAOYSA-N	-1	0	297.336	0.827	20	30		CCEDRM
N#Cc1ccc(NCC(=O)N2CCCC[C@@H]2C(=O)[O-])nc1	ZINC001574249157	960500237	/nfs/dbraw/zinc/50/02/37/960500237.db2.gz	GBHWUYTYUYPFML-LLVKDONJSA-N	-1	0	288.307	0.831	20	30		CCEDRM
CCC(C)(C)CCn1c(=O)c(C#N)cn(CC(=O)[O-])c1=O	ZINC001573768453	960641241	/nfs/dbraw/zinc/64/12/41/960641241.db2.gz	SWMNPYJUWWCIKU-UHFFFAOYSA-N	-1	0	293.323	0.793	20	30		CCEDRM
N#CCSCC(=O)Nc1nc2n(c1C(=O)[O-])CCOC2	ZINC001574480369	961662200	/nfs/dbraw/zinc/66/22/00/961662200.db2.gz	HZGPALLRFSZOQX-UHFFFAOYSA-N	-1	0	296.308	0.307	20	30		CCEDRM
N#CCCN(CCC#N)C(=O)c1cc(C(=O)[O-])n[nH]1	ZINC001574481143	961670247	/nfs/dbraw/zinc/67/02/47/961670247.db2.gz	VIOBPJSLYFICDC-UHFFFAOYSA-N	-1	0	261.241	0.377	20	30		CCEDRM
N#C[C@@H]1CCC[C@@H](OC(=O)c2cn(CC(=O)[O-])nn2)C1	ZINC001574481345	961673598	/nfs/dbraw/zinc/67/35/98/961673598.db2.gz	ZNXPKGHVKSJNIY-RKDXNWHRSA-N	-1	0	278.268	0.602	20	30		CCEDRM
N#Cc1ccc(CNC(=O)N[C@H]2C[C@@H](C(=O)[O-])C2)nc1	ZINC001574488534	961695409	/nfs/dbraw/zinc/69/54/09/961695409.db2.gz	REVFQUZNDWOZOH-JGZJWPJOSA-N	-1	0	274.280	0.616	20	30		CCEDRM
N#Cc1ccc(CNC(=O)COCC(=O)[O-])s1	ZINC001574488930	961699627	/nfs/dbraw/zinc/69/96/27/961699627.db2.gz	UZIBALDHGLZBHB-UHFFFAOYSA-N	-1	0	254.267	0.337	20	30		CCEDRM
CC(C)[C@@H](CNS(=O)(=O)CC(C)(C)C#N)C(=O)[O-]	ZINC001588831213	961724144	/nfs/dbraw/zinc/72/41/44/961724144.db2.gz	KWXMQULIRUJAFJ-SECBINFHSA-N	-1	0	276.358	0.812	20	30		CCEDRM
CC(C)N(CC(=O)[O-])S(=O)(=O)CC(C)(C)C#N	ZINC001588918265	962353694	/nfs/dbraw/zinc/35/36/94/962353694.db2.gz	CWKIZIXNXXVTFV-UHFFFAOYSA-N	-1	0	262.331	0.661	20	30		CCEDRM
CC(C)NC(=O)[C@@H](C)NC(=O)[C@](C)(C#N)CC(=O)[O-]	ZINC001588923398	962416895	/nfs/dbraw/zinc/41/68/95/962416895.db2.gz	XAFKMFLTLIPMLI-PELKAZGASA-N	-1	0	269.301	0.020	20	30		CCEDRM
C#CC[C@@H](NC(=O)c1cc(-n2ccnc2)ccc1O)C(=O)[O-]	ZINC001573303473	962676926	/nfs/dbraw/zinc/67/69/26/962676926.db2.gz	ONCVTWPRBHUXER-GFCCVEGCSA-N	-1	0	299.286	0.784	20	30		CCEDRM
C#Cc1ccc(C(=O)Nc2ccnc(C(=O)[O-])n2)cn1	ZINC001573312468	962722547	/nfs/dbraw/zinc/72/25/47/962722547.db2.gz	UYRCYSAGHFNZPD-UHFFFAOYSA-N	-1	0	268.232	0.803	20	30		CCEDRM
C=C(C)C(C)(C)C(=O)NCCN(C)C(=O)[C@@H]1C[C@@H]1C(=O)[O-]	ZINC001573320852	962753397	/nfs/dbraw/zinc/75/33/97/962753397.db2.gz	FQJKQYLYBIOQBX-MNOVXSKESA-N	-1	0	296.367	0.884	20	30		CCEDRM
C=C(C)C[C@@H](C)C(=O)N[C@H](C)CNC(=O)CNC(=O)[O-]	ZINC001573322240	962767559	/nfs/dbraw/zinc/76/75/59/962767559.db2.gz	WSWLAHOLENKFLE-NXEZZACHSA-N	-1	0	285.344	0.477	20	30		CCEDRM
C=CCO[C@@H]1CCN(C(=O)[C@H]2C[C@@H](C(=O)[O-])C2)C1	ZINC001517352051	962771034	/nfs/dbraw/zinc/77/10/34/962771034.db2.gz	WQMRDIZOAYSGND-OUAUKWLOSA-N	-1	0	253.298	0.901	20	30		CCEDRM
C#CC[C@H](NS(=O)(=O)CC1CCCC1)C(=O)[O-]	ZINC000274963849	962810186	/nfs/dbraw/zinc/81/01/86/962810186.db2.gz	HZAXKRHGLDQJQP-JTQLQIEISA-N	-1	0	259.327	0.573	20	30		CCEDRM
C=C(CCC(=O)[O-])C(=O)NC[C@@H](O)c1cccnc1	ZINC001573331964	962820909	/nfs/dbraw/zinc/82/09/09/962820909.db2.gz	BOCSNHRPMPSIGL-LLVKDONJSA-N	-1	0	264.281	0.652	20	30		CCEDRM
C=C(CCC(=O)[O-])C(=O)N1CC[C@H](c2nncn2C)C1	ZINC001573332010	962822180	/nfs/dbraw/zinc/82/21/80/962822180.db2.gz	GURKYLFFJURWPG-JTQLQIEISA-N	-1	0	278.312	0.552	20	30		CCEDRM
C=C(CCC(=O)[O-])C(=O)NCCc1nnc2ccccn21	ZINC001573332051	962823978	/nfs/dbraw/zinc/82/39/78/962823978.db2.gz	CWKMSYNBPWOTPK-UHFFFAOYSA-N	-1	0	288.307	0.809	20	30		CCEDRM
C=C(CCC(=O)[O-])C(=O)N1CCO[C@@]2(CCO[C@@H]2C)C1	ZINC001573332190	962828274	/nfs/dbraw/zinc/82/82/74/962828274.db2.gz	KGRUJUOWQAXLHH-RISCZKNCSA-N	-1	0	283.324	0.814	20	30		CCEDRM
C=C[C@H](C)[C@H](C)C(=O)NC1(CNC(=O)CNC(=O)[O-])CC1	ZINC001573346626	962942628	/nfs/dbraw/zinc/94/26/28/962942628.db2.gz	FHNSFEDGSLMEAE-UWVGGRQHSA-N	-1	0	297.355	0.477	20	30		CCEDRM
C=CC(C)(C)C(=O)NCCN(CC)C(=O)[C@@H]1C[C@H]1C(=O)[O-]	ZINC001573348660	962960579	/nfs/dbraw/zinc/96/05/79/962960579.db2.gz	ZEMGEUWARLWFJI-GHMZBOCLSA-N	-1	0	296.367	0.884	20	30		CCEDRM
C[C@@H](C(=O)N1CCC[C@H](C(=O)[O-])C1)n1cnc(C#N)n1	ZINC001573364243	963049185	/nfs/dbraw/zinc/04/91/85/963049185.db2.gz	OLSWTAQRGGUGCK-IUCAKERBSA-N	-1	0	277.284	0.034	20	30		CCEDRM
C[C@@H](C(=O)NC1(C(=O)[O-])CCCCC1)n1cnc(C#N)n1	ZINC001573398022	963131390	/nfs/dbraw/zinc/13/13/90/963131390.db2.gz	CCZPPIQTBCMJID-VIFPVBQESA-N	-1	0	291.311	0.614	20	30		CCEDRM
Cc1nn(Cc2cc(C(=O)[O-])no2)c(=O)c(C#N)c1C	ZINC001570999619	963209841	/nfs/dbraw/zinc/20/98/41/963209841.db2.gz	KEXIXTURUWDFIH-UHFFFAOYSA-N	-1	0	274.236	0.466	20	30		CCEDRM
Cc1nc(C#N)cc(NCC2(C(=O)[O-])CCOCC2)n1	ZINC000308379085	963271766	/nfs/dbraw/zinc/27/17/66/963271766.db2.gz	UDVOPRRDMIOFBP-UHFFFAOYSA-N	-1	0	276.296	0.950	20	30		CCEDRM
N#Cc1ccccc1S(=O)(=O)N[C@H]1CC[C@H]1C(=O)[O-]	ZINC001571013107	963290962	/nfs/dbraw/zinc/29/09/62/963290962.db2.gz	BFQLANACFMIAIK-ZJUUUORDSA-N	-1	0	280.305	0.700	20	30		CCEDRM
Cc1nc(C#N)cc(N2CC(c3cc(C(=O)[O-])n[nH]3)C2)n1	ZINC001571024129	963355444	/nfs/dbraw/zinc/35/54/44/963355444.db2.gz	XBXBAHJKLUJURM-UHFFFAOYSA-N	-1	0	284.279	0.682	20	30		CCEDRM
N#Cc1sc(NCC(=O)NCC(=O)[O-])nc1Cl	ZINC000310521475	963414658	/nfs/dbraw/zinc/41/46/58/963414658.db2.gz	MDYKAAQLTOHVBE-UHFFFAOYSA-N	-1	0	274.689	0.281	20	30		CCEDRM
Cc1nc(N2C[C@H](O)C[C@@H]2C(=O)[O-])c(Cl)cc1C#N	ZINC000311696198	963504224	/nfs/dbraw/zinc/50/42/24/963504224.db2.gz	LDWZQKYVMARXQM-PSASIEDQSA-N	-1	0	281.699	0.939	20	30		CCEDRM
C#CCCCC(=O)N1C[C@H](C(=O)[O-])CC[C@H]1C(=O)OC	ZINC001588435344	964021466	/nfs/dbraw/zinc/02/14/66/964021466.db2.gz	MKZJKDAKMFHXNU-MNOVXSKESA-N	-1	0	281.308	0.655	20	30		CCEDRM
C#CCCCC(=O)OCCn1cc(C(=O)[O-])nn1	ZINC001588440248	964035358	/nfs/dbraw/zinc/03/53/58/964035358.db2.gz	OUMPUKNFJITXRK-UHFFFAOYSA-N	-1	0	251.242	0.323	20	30		CCEDRM
C#CCCCCC(=O)N[C@@H](Cn1cncn1)C(=O)[O-]	ZINC001588440546	964039451	/nfs/dbraw/zinc/03/94/51/964039451.db2.gz	ZPJCDDLAQYGVOQ-JTQLQIEISA-N	-1	0	264.285	0.041	20	30		CCEDRM
C#CCCCCCC(=O)N1CC[C@](O)(C(=O)[O-])C1	ZINC001588440777	964044572	/nfs/dbraw/zinc/04/45/72/964044572.db2.gz	QDDDJRNGOQIERJ-CYBMUJFWSA-N	-1	0	253.298	0.618	20	30		CCEDRM
C=C(C)C[C@@H](CO)NC(=O)c1ccc(C(=O)[O-])nc1	ZINC001588442216	964055740	/nfs/dbraw/zinc/05/57/40/964055740.db2.gz	QBOPSWFLSYKTLU-JTQLQIEISA-N	-1	0	264.281	0.837	20	30		CCEDRM
C=C(C)Cn1c(COC)nnc1N1CC[C@@H](C(=O)[O-])C1	ZINC001588443643	964063219	/nfs/dbraw/zinc/06/32/19/964063219.db2.gz	VMIFYWPWTQPMQJ-SNVBAGLBSA-N	-1	0	280.328	0.912	20	30		CCEDRM
C#CCN(CC(=O)[O-])Cc1cc(=O)n2cc(C)ccc2n1	ZINC000092483984	967597939	/nfs/dbraw/zinc/59/79/39/967597939.db2.gz	WQRACJQDZIWNOZ-UHFFFAOYSA-N	-1	0	285.303	0.523	20	30		CCEDRM
C=CCC(F)(F)C(=O)N(CCOC)CC(=O)[O-]	ZINC001609626356	970428556	/nfs/dbraw/zinc/42/85/56/970428556.db2.gz	XOHIYQAVDATSEY-UHFFFAOYSA-N	-1	0	251.229	0.757	20	30		CCEDRM
C[C@@H](OC(=O)[C@H](C)C(=O)[O-])C(=O)NC1(C#N)CCC1	ZINC001609982678	970630087	/nfs/dbraw/zinc/63/00/87/970630087.db2.gz	JJSMNFXWDVNTTA-HTQZYQBOSA-N	-1	0	268.269	0.201	20	30		CCEDRM
C=CC[C@H](CO)NS(=O)(=O)c1ccc(CC(=O)[O-])cc1	ZINC000320314300	970648351	/nfs/dbraw/zinc/64/83/51/970648351.db2.gz	VEZOBHCIPBIYQA-LLVKDONJSA-N	-1	0	299.348	0.529	20	30		CCEDRM
CC[C@H](OC(=O)[C@@](C)(C#N)CC(=O)[O-])C(=O)OC	ZINC001610152210	970686755	/nfs/dbraw/zinc/68/67/55/970686755.db2.gz	SRMRRTCNGVUAJI-WRWORJQWSA-N	-1	0	257.242	0.486	20	30		CCEDRM
C[C@@H](NC(=O)N[C@H](CC#N)C(F)(F)F)C(=O)[O-]	ZINC001604988891	972578061	/nfs/dbraw/zinc/57/80/61/972578061.db2.gz	HOTKYQBTIAJTGH-RFZPGFLSSA-N	-1	0	253.180	0.603	20	30		CCEDRM
C[C@@H]1CC[C@H](C(=O)[O-])N1C(=O)CNc1ccc(C#N)cn1	ZINC001605005133	972611442	/nfs/dbraw/zinc/61/14/42/972611442.db2.gz	ZNTFGHGTXMKHSO-MWLCHTKSSA-N	-1	0	288.307	0.829	20	30		CCEDRM
COC(=O)CC[C@H](NC(=O)[C@@H](C)CC#N)C(=O)[O-]	ZINC001604318248	972989250	/nfs/dbraw/zinc/98/92/50/972989250.db2.gz	QHSJMPBGXOSKPI-YUMQZZPRSA-N	-1	0	256.258	0.059	20	30		CCEDRM
C[C@@H]1OCC[C@@]12CN(C(=O)[C@@](C)(C#N)CC(=O)[O-])CCO2	ZINC001603479893	973380205	/nfs/dbraw/zinc/38/02/05/973380205.db2.gz	KOEVKCIHMJDCJH-ZLKJLUDKSA-N	-1	0	296.323	0.397	20	30		CCEDRM
CC[C@H](C(=O)[O-])N(C)C(=O)Cc1noc(C)c1C#N	ZINC001603492431	973438285	/nfs/dbraw/zinc/43/82/85/973438285.db2.gz	ORHOCNRTOYDDSQ-SNVBAGLBSA-N	-1	0	265.269	0.719	20	30		CCEDRM
Cc1cc(N2C[C@H](O)C[C@@H](C(=O)[O-])C2)c(C#N)cn1	ZINC000401906567	973517029	/nfs/dbraw/zinc/51/70/29/973517029.db2.gz	HVBIKBRMKUPBNC-MWLCHTKSSA-N	-1	0	261.281	0.534	20	30		CCEDRM
N#CC1(C[C@@H](O)CN2CCOC[C@H]2C(=O)[O-])CCC1	ZINC001605576664	973850727	/nfs/dbraw/zinc/85/07/27/973850727.db2.gz	QGYZQYQGFDRCOU-MNOVXSKESA-N	-1	0	268.313	0.217	20	30		CCEDRM
N#C[C@@]1(F)CCN(C(=O)C(=O)NCCCCCC(=O)[O-])C1	ZINC001605583142	973870715	/nfs/dbraw/zinc/87/07/15/973870715.db2.gz	LNXIONBHHFQUCJ-ZDUSSCGKSA-N	-1	0	299.302	0.212	20	30		CCEDRM
N#Cc1ccncc1C(=O)N[C@H]1CC[C@@H](C(=O)[O-])C1	ZINC001605622962	973946640	/nfs/dbraw/zinc/94/66/40/973946640.db2.gz	LHQMDBDJKDBNKN-SCZZXKLOSA-N	-1	0	259.265	0.936	20	30		CCEDRM
N#Cc1cn(CC(=O)[O-])c(=O)n(CCc2ccccc2)c1=O	ZINC001605623032	973947590	/nfs/dbraw/zinc/94/75/90/973947590.db2.gz	QQVXXHBXXOVFLV-UHFFFAOYSA-N	-1	0	299.286	0.209	20	30		CCEDRM
N#Cc1cncc(CNC(=O)[C@@H]2CC[C@H]2C(=O)[O-])c1	ZINC001605625836	973950315	/nfs/dbraw/zinc/95/03/15/973950315.db2.gz	BNHXXGZMIAZUCR-GHMZBOCLSA-N	-1	0	259.265	0.680	20	30		CCEDRM
N#Cc1csc(CNC(=O)[C@@]2(C(=O)[O-])CCCO2)n1	ZINC001605626249	973952417	/nfs/dbraw/zinc/95/24/17/973952417.db2.gz	HOXGIMSESGFFGB-LLVKDONJSA-N	-1	0	281.293	0.265	20	30		CCEDRM
NS(=O)(=O)c1ccccc1N=NCCCCC(=O)[O-]	ZINC001605649145	974020885	/nfs/dbraw/zinc/02/08/85/974020885.db2.gz	REHBMYDIUILQPQ-UHFFFAOYSA-N	-1	0	285.325	0.987	20	30		CCEDRM
CC(C)NC(=S)NN=Cc1cccn1CC(=O)[O-]	ZINC001591661028	975398992	/nfs/dbraw/zinc/39/89/92/975398992.db2.gz	UCMIUKHWRICESW-UHFFFAOYSA-N	-1	0	268.342	0.779	20	30		CCEDRM
C[C@@H](CC#N)C(=O)N1CC[C@@H](n2cc(C(=O)[O-])nn2)C1	ZINC001592213531	977273652	/nfs/dbraw/zinc/27/36/52/977273652.db2.gz	YWEFJEJJIKVKCB-DTWKUNHWSA-N	-1	0	277.284	0.299	20	30		CCEDRM
C[C@@H](/C=C\C(=O)[O-])NS(=O)(=O)CC1(C#N)CC1	ZINC001592220373	977393087	/nfs/dbraw/zinc/39/30/87/977393087.db2.gz	XJVUKZORTBKEDU-KZUAUGPASA-N	-1	0	258.299	0.239	20	30		CCEDRM
C[C@@H](CC#N)C(=O)O[C@@H]1CCN(CCC(=O)[O-])C1=O	ZINC001592221633	977401787	/nfs/dbraw/zinc/40/17/87/977401787.db2.gz	LLCMNEQJJXZBAC-DTWKUNHWSA-N	-1	0	268.269	0.155	20	30		CCEDRM
C[C@H](CCN=Nc1ccc(S(N)(=O)=O)cc1)C(=O)[O-]	ZINC001592471992	978235412	/nfs/dbraw/zinc/23/54/12/978235412.db2.gz	ZBKIIDMXRYLDKE-MRVPVSSYSA-N	-1	0	285.325	0.843	20	30		CCEDRM
C[C@@](CCF)(NC(=O)c1cc(C#N)ccn1)C(=O)[O-]	ZINC001592498037	978306584	/nfs/dbraw/zinc/30/65/84/978306584.db2.gz	MZQONYRREIFIQB-LBPRGKRZSA-N	-1	0	265.244	0.886	20	30		CCEDRM
CC[C@](COC)(NCC(=O)NC1(C#N)CCC1)C(=O)[O-]	ZINC001595195331	979912817	/nfs/dbraw/zinc/91/28/17/979912817.db2.gz	QJWONLVUEQFHFT-CYBMUJFWSA-N	-1	0	283.328	0.018	20	30		CCEDRM
CC[C@](COC)(NCC(=O)N[C@@](C)(C#N)C(C)C)C(=O)[O-]	ZINC001595195808	979917145	/nfs/dbraw/zinc/91/71/45/979917145.db2.gz	ZGBHSYRKYDVIKD-UONOGXRCSA-N	-1	0	299.371	0.510	20	30		CCEDRM
CC[C@@](C)(C#N)C(=O)N1CCC([C@@H](O)C(=O)[O-])CC1	ZINC001594778346	981775908	/nfs/dbraw/zinc/77/59/08/981775908.db2.gz	PETIPEVNLKFIBJ-MFKMUULPSA-N	-1	0	268.313	0.610	20	30		CCEDRM
CC[C@](C)(NS(=O)(=O)CC1(C#N)CCC1)C(=O)[O-]	ZINC001594853217	982108979	/nfs/dbraw/zinc/10/89/79/982108979.db2.gz	MAECLNFTZLRTQW-JTQLQIEISA-N	-1	0	274.342	0.853	20	30		CCEDRM
CCCCCC[C@](O)(CN1CCO[C@H](C#N)C1)C(=O)[O-]	ZINC001595696569	982231444	/nfs/dbraw/zinc/23/14/44/982231444.db2.gz	JTSVLUBHDNQIPM-OCCSQVGLSA-N	-1	0	284.356	0.997	20	30		CCEDRM
C[C@@H](NS(=O)(=O)c1ccccc1CC#N)C(=O)[O-]	ZINC001574658218	983266949	/nfs/dbraw/zinc/26/69/49/983266949.db2.gz	AJAMAFAPHGEHNA-MRVPVSSYSA-N	-1	0	268.294	0.504	20	30		CCEDRM
C#CC(=O)N1CCN(c2ccc(C(=O)[O-])s2)CC1	ZINC001588367478	983299352	/nfs/dbraw/zinc/29/93/52/983299352.db2.gz	VJOWEVCASVJWOM-UHFFFAOYSA-N	-1	0	264.306	0.728	20	30		CCEDRM
C#C[C@@](C)(CC)NS(=O)(=O)c1csnc1C(=O)[O-]	ZINC001588368125	983303805	/nfs/dbraw/zinc/30/38/05/983303805.db2.gz	GVZQOBGTUWHSHI-JTQLQIEISA-N	-1	0	288.350	0.922	20	30		CCEDRM
C#C[C@@H](CCC)NC(=O)C(=O)Nc1cc(C(=O)[O-])n(C)c1	ZINC001588369513	983314923	/nfs/dbraw/zinc/31/49/23/983314923.db2.gz	OGNHRKCOBGKYKO-VIFPVBQESA-N	-1	0	291.307	0.580	20	30		CCEDRM
C#C[C@H](CC)NC(=O)C(=O)Nc1cccc(F)c1C(=O)[O-]	ZINC001588369724	983316764	/nfs/dbraw/zinc/31/67/64/983316764.db2.gz	UQKWFPNWJSGPCM-MRVPVSSYSA-N	-1	0	292.266	0.990	20	30		CCEDRM
C#C[C@@H](NC(=O)c1ccc(C(=O)[O-])[nH]1)[C@H]1CCCO1	ZINC001588376358	983351380	/nfs/dbraw/zinc/35/13/80/983351380.db2.gz	DCEBSOQHHNSYMO-LDYMZIIASA-N	-1	0	262.265	0.624	20	30		CCEDRM
C#CC1(O)CCN(C(=O)[C@H]2C[C@@H](C(=O)[O-])C2)CC1	ZINC001588379544	983364742	/nfs/dbraw/zinc/36/47/42/983364742.db2.gz	KPOQUFZHMJWXMC-AOOOYVTPSA-N	-1	0	251.282	0.084	20	30		CCEDRM
C#C[C@@H]1CCCCN1C(=O)C(=O)NCC(C)(C)CC(=O)[O-]	ZINC001588381885	983367468	/nfs/dbraw/zinc/36/74/68/983367468.db2.gz	CCICKRJJDRGRAG-LLVKDONJSA-N	-1	0	294.351	0.618	20	30		CCEDRM
C#C[C@H]1CCCN(S(=O)(=O)CC2(C(=O)[O-])CC2)C1	ZINC001588382895	983375400	/nfs/dbraw/zinc/37/54/00/983375400.db2.gz	JLQNXYKNUXHWCL-JTQLQIEISA-N	-1	0	271.338	0.526	20	30		CCEDRM
C#C[C@@H]1COCCN1C(=O)c1ccnc(C(=O)[O-])c1	ZINC001588383469	983381364	/nfs/dbraw/zinc/38/13/64/983381364.db2.gz	ANOOQTNOHJRWNC-SNVBAGLBSA-N	-1	0	260.249	0.254	20	30		CCEDRM
C#C[C@H]1COCCN1C(=O)NC/C=C(\C)C(=O)[O-]	ZINC001588383925	983384980	/nfs/dbraw/zinc/38/49/80/983384980.db2.gz	PHLHTNGLEUAPSK-LLGDCAAFSA-N	-1	0	252.270	0.061	20	30		CCEDRM
C#C[C@H]1COCCN1C(=O)[C@H]1CCCC[C@H]1C(=O)[O-]	ZINC001588383918	983385130	/nfs/dbraw/zinc/38/51/30/983385130.db2.gz	OXFCAQJJZWKDCY-SDDRHHMPSA-N	-1	0	265.309	0.738	20	30		CCEDRM
C#C[C@@H]1COCCN1C(=O)CCSCC(=O)[O-]	ZINC001588383990	983385591	/nfs/dbraw/zinc/38/55/91/983385591.db2.gz	RERFIZKZAHJOPE-SECBINFHSA-N	-1	0	257.311	0.055	20	30		CCEDRM
C#CCC(CC#C)C(=O)N[C@H](C(=O)[O-])c1ccnn1C	ZINC001588389988	983390122	/nfs/dbraw/zinc/39/01/22/983390122.db2.gz	HRVMWKSADLNYLM-LBPRGKRZSA-N	-1	0	273.292	0.325	20	30		CCEDRM
C#CC[C@@H](CCOC)NC(=O)NC[C@H](F)C(=O)[O-]	ZINC001588393414	983397620	/nfs/dbraw/zinc/39/76/20/983397620.db2.gz	FREYVACVDYTKTQ-IUCAKERBSA-N	-1	0	260.265	0.137	20	30		CCEDRM
C#CC[C@@H](CCOC)NC(=O)N1CCO[C@@H](CC(=O)[O-])C1	ZINC001588394048	983401240	/nfs/dbraw/zinc/40/12/40/983401240.db2.gz	MADMPEIXXNMGGF-RYUDHWBXSA-N	-1	0	298.339	0.300	20	30		CCEDRM
C#CC[C@H](NC(=O)[C@@H](C(=O)OCC)C(C)C)C(=O)[O-]	ZINC001588394476	983402940	/nfs/dbraw/zinc/40/29/40/983402940.db2.gz	LKSWIWVBTOGEQF-UWVGGRQHSA-N	-1	0	269.297	0.414	20	30		CCEDRM
C#CC[C@H](CCOC)NC(=O)Cc1ccc(C(=O)[O-])nc1	ZINC001588395224	983404828	/nfs/dbraw/zinc/40/48/28/983404828.db2.gz	REELNOBLVFSKLG-GFCCVEGCSA-N	-1	0	290.319	0.867	20	30		CCEDRM
C#CC[C@H](CCOC)NC(=O)c1c[nH]c(C(=O)[O-])c1	ZINC001588395859	983406914	/nfs/dbraw/zinc/40/69/14/983406914.db2.gz	VAHZFSAZPMXZCZ-SNVBAGLBSA-N	-1	0	264.281	0.871	20	30		CCEDRM
C#CC[C@H](NC(=O)C1=C(C)C(C)(C)OC1=O)C(=O)[O-]	ZINC001588398545	983413053	/nfs/dbraw/zinc/41/30/53/983413053.db2.gz	LDLYOTMUMRISSO-QMMMGPOBSA-N	-1	0	265.265	0.231	20	30		CCEDRM
C#CC[C@H](NC(=O)C[C@H]1OC(=O)c2ccccc21)C(=O)[O-]	ZINC001588405373	983421369	/nfs/dbraw/zinc/42/13/69/983421369.db2.gz	GWQWFIBXTOMZDU-NWDGAFQWSA-N	-1	0	287.271	0.881	20	30		CCEDRM
C#CC[C@H](NC(=O)[C@H]1CC(=O)c2ccccc21)C(=O)[O-]	ZINC001588405653	983422198	/nfs/dbraw/zinc/42/21/98/983422198.db2.gz	HWGORHGIFTUMKI-RYUDHWBXSA-N	-1	0	271.272	0.949	20	30		CCEDRM
C#CC[C@H](NC(=O)/C=C/c1cc(C(=O)[O-])co1)C(=O)OC	ZINC001588405723	983422689	/nfs/dbraw/zinc/42/26/89/983422689.db2.gz	IMGIVLBOOFXKCA-QRGHLMKCSA-N	-1	0	291.259	0.672	20	30		CCEDRM
C#CC[C@@H](NC(=O)CC[C@]1(C)CCC(=O)N1)C(=O)[O-]	ZINC001588405912	983423452	/nfs/dbraw/zinc/42/34/52/983423452.db2.gz	KIIYHKCIJFZICZ-NOZJJQNGSA-N	-1	0	266.297	0.028	20	30		CCEDRM
C#CC[C@@H](NC(=O)CCCC(=O)C1CC1)C(=O)[O-]	ZINC001588406948	983426593	/nfs/dbraw/zinc/42/65/93/983426593.db2.gz	UIBQOLJPYUGFSI-SNVBAGLBSA-N	-1	0	251.282	0.729	20	30		CCEDRM
C#CC[C@@H](NC(=O)[C@H]1Cc2ccccc2C(=O)O1)C(=O)[O-]	ZINC001588407137	983427174	/nfs/dbraw/zinc/42/71/74/983427174.db2.gz	WSPAOBCQQPNASQ-VXGBXAGGSA-N	-1	0	287.271	0.361	20	30		CCEDRM
C#CC[C@@H](NC(=O)/C=C\CN(C)CC(F)(F)F)C(=O)[O-]	ZINC001588407297	983428028	/nfs/dbraw/zinc/42/80/28/983428028.db2.gz	YJCBKRWYLGMTPN-XTULLQBASA-N	-1	0	292.257	0.629	20	30		CCEDRM
C#CC[C@@H](NC(=O)Cn1ccc2ccccc2c1=O)C(=O)[O-]	ZINC001588408102	983430719	/nfs/dbraw/zinc/43/07/19/983430719.db2.gz	XWBKINLPZHOSLC-CYBMUJFWSA-N	-1	0	298.298	0.594	20	30		CCEDRM
C#CC[C@H](NC(=O)c1c[nH]nc1-c1ccccn1)C(=O)[O-]	ZINC001588413561	983431089	/nfs/dbraw/zinc/43/10/89/983431089.db2.gz	BAXDZETTYBSBPX-NSHDSACASA-N	-1	0	284.275	0.678	20	30		CCEDRM
C#CC[C@H](NC(=O)c1cc(C)nc2n[nH]c(C)c21)C(=O)[O-]	ZINC001588413588	983431479	/nfs/dbraw/zinc/43/14/79/983431479.db2.gz	BZFZKGRHUYEUOQ-JTQLQIEISA-N	-1	0	286.291	0.781	20	30		CCEDRM
C#CC[C@H](NC(=O)c1cc(C(F)F)ncn1)C(=O)[O-]	ZINC001588413988	983432870	/nfs/dbraw/zinc/43/28/70/983432870.db2.gz	LZSJBWOAGYWXJG-LURJTMIESA-N	-1	0	269.207	0.621	20	30		CCEDRM
C#CC[C@@H](NC(=O)c1c(C)nc2ccnn2c1C)C(=O)[O-]	ZINC001588414289	983433718	/nfs/dbraw/zinc/43/37/18/983433718.db2.gz	QDNKEQRMIQYUPG-SNVBAGLBSA-N	-1	0	286.291	0.552	20	30		CCEDRM
C#CC[C@H](NC(=O)c1ccnc2ccncc21)C(=O)[O-]	ZINC001588415664	983435520	/nfs/dbraw/zinc/43/55/20/983435520.db2.gz	DAZOHPRKQKUOMM-LBPRGKRZSA-N	-1	0	269.260	0.836	20	30		CCEDRM
C#CC[C@@H](NCc1cc(C(=O)[O-])c(C)o1)C(=O)OC	ZINC001588423071	983450233	/nfs/dbraw/zinc/45/02/33/983450233.db2.gz	VVNQJSYUPHJXRB-LLVKDONJSA-N	-1	0	265.265	0.941	20	30		CCEDRM
C#CC[C@@H](NS(=O)(=O)c1ccc2c(c1)COC2)C(=O)[O-]	ZINC001588428325	983461299	/nfs/dbraw/zinc/46/12/99/983461299.db2.gz	KFNRHUILPSUQOZ-GFCCVEGCSA-N	-1	0	295.316	0.472	20	30		CCEDRM
C#CC[C@@H]1CCN(C(=O)NC[C@H]2C[C@H]2C(=O)[O-])C1	ZINC001588433521	983468234	/nfs/dbraw/zinc/46/82/34/983468234.db2.gz	AGYWACUPSZJRRD-GMTAPVOTSA-N	-1	0	250.298	0.762	20	30		CCEDRM
C#CC[C@@H]1CCN(C(=O)NC2CC(C(=O)[O-])C2)C1	ZINC001588434322	983469367	/nfs/dbraw/zinc/46/93/67/983469367.db2.gz	JEEOGJRFKVXMEM-KPPDAEKUSA-N	-1	0	250.298	0.904	20	30		CCEDRM
C#CCN(CC#N)C(=O)c1c(C)coc1CC(=O)[O-]	ZINC001588464750	983494237	/nfs/dbraw/zinc/49/42/37/983494237.db2.gz	IHZUOWPJJWWHNK-UHFFFAOYSA-N	-1	0	260.249	0.814	20	30		CCEDRM
C#CCNC(=O)COc1ccc(C(=O)[O-])cc1[N+](=O)[O-]	ZINC001588483570	983521510	/nfs/dbraw/zinc/52/15/10/983521510.db2.gz	BFIBGMGTYZIAKD-UHFFFAOYSA-N	-1	0	278.220	0.421	20	30		CCEDRM
C#CCNC(=O)N1C[C@H](C(F)(F)F)C[C@H](C(=O)[O-])C1	ZINC001588483899	983522434	/nfs/dbraw/zinc/52/24/34/983522434.db2.gz	MHYRRVQLZJQVID-JGVFFNPUSA-N	-1	0	278.230	0.914	20	30		CCEDRM
C#CCNC(=O)N1C[C@@H](c2ccc(O)cc2)[C@H](C(=O)[O-])C1	ZINC001588484118	983522920	/nfs/dbraw/zinc/52/29/20/983522920.db2.gz	QXVBXXIMNGMAKL-QWHCGFSZSA-N	-1	0	288.303	0.835	20	30		CCEDRM
C#CCNC(=O)CN1CC[C@H](c2ncc(C(=O)[O-])s2)C1	ZINC001588484280	983523665	/nfs/dbraw/zinc/52/36/65/983523665.db2.gz	YRAGILJRWHJSSL-VIFPVBQESA-N	-1	0	293.348	0.380	20	30		CCEDRM
C#CCOCCC(=O)N[C@@H]1CCOC2(CC(C(=O)[O-])C2)C1	ZINC001588489689	983528509	/nfs/dbraw/zinc/52/85/09/983528509.db2.gz	JHZJXUNHHMSJJO-MQYJIDSJSA-N	-1	0	295.335	0.555	20	30		CCEDRM
C#CCO[C@H](C)C(=O)O[C@H](CCSC)C(=O)[O-]	ZINC001588490488	983532667	/nfs/dbraw/zinc/53/26/67/983532667.db2.gz	NZUJCHVTCNUXOH-RKDXNWHRSA-N	-1	0	260.311	0.774	20	30		CCEDRM
C#CCO[C@@H](C)C(=O)N(C)[C@@H](COC1CCC1)C(=O)[O-]	ZINC001588490765	983534192	/nfs/dbraw/zinc/53/41/92/983534192.db2.gz	YALBTUOIICVGCH-JQWIXIFHSA-N	-1	0	283.324	0.505	20	30		CCEDRM
C#CCOCCN(C)S(=O)(=O)c1ccc(C(=O)[O-])nc1	ZINC001588491125	983535030	/nfs/dbraw/zinc/53/50/30/983535030.db2.gz	DLZADCFGJDEQGA-UHFFFAOYSA-N	-1	0	298.320	0.050	20	30		CCEDRM
C#CCOCCNC(=O)c1ccc(C(=O)[O-])n1C	ZINC001588491306	983535515	/nfs/dbraw/zinc/53/55/15/983535515.db2.gz	IOLFSMSNQCTIIW-UHFFFAOYSA-N	-1	0	250.254	0.103	20	30		CCEDRM
C#CCOCCOC(=O)CCc1ocnc1C(=O)[O-]	ZINC001588491706	983537361	/nfs/dbraw/zinc/53/73/61/983537361.db2.gz	UAKMKBPDXQOJSZ-UHFFFAOYSA-N	-1	0	267.237	0.498	20	30		CCEDRM
C#CCOCCNC(=O)N1CCC(CC(=O)[O-])CC1	ZINC001588491826	983538004	/nfs/dbraw/zinc/53/80/04/983538004.db2.gz	XTMPLYOZTGBBBQ-UHFFFAOYSA-N	-1	0	268.313	0.533	20	30		CCEDRM
C#CCSCCNC(=O)N1CCC(C#N)(C(=O)[O-])CC1	ZINC001588506599	983552141	/nfs/dbraw/zinc/55/21/41/983552141.db2.gz	ZGCANQFRWPSKLD-UHFFFAOYSA-N	-1	0	295.364	0.753	20	30		CCEDRM
C#CCn1cc(CNC(=O)C(=C)CCC(=O)[O-])cn1	ZINC001588509747	983553572	/nfs/dbraw/zinc/55/35/72/983553572.db2.gz	MAKOYAAFOBCEGD-UHFFFAOYSA-N	-1	0	261.281	0.554	20	30		CCEDRM
C#Cc1ccccc1CC(=O)N1CCO[C@@H](CC(=O)[O-])C1	ZINC001588524415	983574896	/nfs/dbraw/zinc/57/48/96/983574896.db2.gz	JKEVNRLKYCUUIA-AWEZNQCLSA-N	-1	0	287.315	0.913	20	30		CCEDRM
C=C(C)[C@H]1OCC[C@@H]1CNC(=O)[C@H]1C[C@H]1C(=O)[O-]	ZINC001588535997	983591709	/nfs/dbraw/zinc/59/17/09/983591709.db2.gz	NDZKZBLLIOKUEW-LMLFDSFASA-N	-1	0	253.298	0.805	20	30		CCEDRM
C=C(C)C[C@@H](CO)NC(=O)[C@H]1CC[C@@H](CCC(=O)[O-])O1	ZINC001588537033	983597182	/nfs/dbraw/zinc/59/71/82/983597182.db2.gz	HPNXJFZJRLLSOG-SDDRHHMPSA-N	-1	0	285.340	0.842	20	30		CCEDRM
C=C(C)C[C@H](NC(=O)[C@H](CC)NC(C)=O)C(=O)[O-]	ZINC001588537267	983598473	/nfs/dbraw/zinc/59/84/73/983598473.db2.gz	KQVMZJMELWNLMJ-UWVGGRQHSA-N	-1	0	256.302	0.437	20	30		CCEDRM
C=C(C)C[C@H](NC(=O)CCN1CCOCC1)C(=O)[O-]	ZINC001588540677	983604747	/nfs/dbraw/zinc/60/47/47/983604747.db2.gz	KGPBXJXYFOVPRO-NSHDSACASA-N	-1	0	270.329	0.244	20	30		CCEDRM
C=C(C)C[C@@H](NC(=O)/C=C\c1ccc(C(N)=O)o1)C(=O)[O-]	ZINC001588541109	983606304	/nfs/dbraw/zinc/60/63/04/983606304.db2.gz	SIEORVPRIMYGIM-AYYIZTPMSA-N	-1	0	292.291	0.927	20	30		CCEDRM
CCN(C[C@H](C)C#N)C(=O)CN1CCOC[C@H]1CC(=O)[O-]	ZINC001596229576	983621161	/nfs/dbraw/zinc/62/11/61/983621161.db2.gz	AXWNWLFNFCGMMG-VXGBXAGGSA-N	-1	0	297.355	0.170	20	30		CCEDRM
C=C(C)C[C@H](NC(C)=O)C(=O)Nc1cc(C(=O)[O-])no1	ZINC001588547834	983621966	/nfs/dbraw/zinc/62/19/66/983621966.db2.gz	NWMXVKHRLFWBIM-QMMMGPOBSA-N	-1	0	281.268	0.782	20	30		CCEDRM
CCN(C[C@@H](C)C#N)S(=O)(=O)NC[C@@H]1C[C@@H]1C(=O)[O-]	ZINC001596230906	983624924	/nfs/dbraw/zinc/62/49/24/983624924.db2.gz	BMCXEBZUZQCGQT-GUBZILKMSA-N	-1	0	289.357	0.023	20	30		CCEDRM
C=C(C)COCCNS(=O)(=O)CC1(C(=O)[O-])CCC1	ZINC001588569518	983649332	/nfs/dbraw/zinc/64/93/32/983649332.db2.gz	DDKPYEMMOWKTNH-UHFFFAOYSA-N	-1	0	291.369	0.753	20	30		CCEDRM
C=C(C)CS(=O)(=O)N1CC[C@@H](OC)C[C@H]1C(=O)[O-]	ZINC001588577215	983655816	/nfs/dbraw/zinc/65/58/16/983655816.db2.gz	QTRAGSPJLSNKMA-ZJUUUORDSA-N	-1	0	277.342	0.456	20	30		CCEDRM
C=C(C)CN1CC(N(C)C(=O)[C@@H]2C[C@@H]2C(=O)[O-])C1	ZINC001588585114	983662720	/nfs/dbraw/zinc/66/27/20/983662720.db2.gz	JQLVGUWFGYTZIA-MNOVXSKESA-N	-1	0	252.314	0.426	20	30		CCEDRM
C=C(C)Cn1c([C@@H](C)CO)nnc1N1CC[C@H](C(=O)[O-])C1	ZINC001588589598	983667729	/nfs/dbraw/zinc/66/77/29/983667729.db2.gz	QZEAJANGDORUIN-QWRGUYRKSA-N	-1	0	294.355	0.861	20	30		CCEDRM
C=C(C)Cn1nnnc1N1CC[C@@H](C(=O)[O-])[C@@H](C)C1	ZINC001588599428	983689848	/nfs/dbraw/zinc/68/98/48/983689848.db2.gz	PBMUITAOSPVLIX-VHSXEESVSA-N	-1	0	265.317	0.796	20	30		CCEDRM
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CCC([C@@H](O)C(=O)[O-])CC1	ZINC001588599448	983690330	/nfs/dbraw/zinc/69/03/30/983690330.db2.gz	QFAJOKXCBZEBPF-XQQFMLRXSA-N	-1	0	297.351	0.652	20	30		CCEDRM
C=C(CCC(=O)[O-])C(=O)N(C)[C@H](C)CS(=O)(=O)CC	ZINC001588606770	983698516	/nfs/dbraw/zinc/69/85/16/983698516.db2.gz	IXVUFMBVZSEBRK-SNVBAGLBSA-N	-1	0	291.369	0.689	20	30		CCEDRM
C=C(CCC(=O)[O-])C(=O)N1C[C@H](CO)OC[C@H]1C	ZINC001588612248	983702300	/nfs/dbraw/zinc/70/23/00/983702300.db2.gz	LQUDJFDIWXHFOO-NXEZZACHSA-N	-1	0	257.286	0.016	20	30		CCEDRM
C=C(CCC(=O)[O-])C(=O)N1CCC(Cn2ccnn2)CC1	ZINC001588613854	983705433	/nfs/dbraw/zinc/70/54/33/983705433.db2.gz	FYKJZFBVCYAUNR-UHFFFAOYSA-N	-1	0	292.339	0.938	20	30		CCEDRM
C=C(CCC(=O)[O-])C(=O)N1CCC[C@](CO)(OC)C1	ZINC001588613987	983705891	/nfs/dbraw/zinc/70/58/91/983705891.db2.gz	ILQBBYWNDJPLRX-ZDUSSCGKSA-N	-1	0	271.313	0.407	20	30		CCEDRM
C=C(CCC(=O)[O-])C(=O)N1CCN(C2CC2)[C@H](C#N)C1	ZINC001588615076	983709819	/nfs/dbraw/zinc/70/98/19/983709819.db2.gz	JFXIYVKXUVXVBX-GFCCVEGCSA-N	-1	0	277.324	0.606	20	30		CCEDRM
C=C(CCC(=O)[O-])C(=O)N1C[C@@H]2C[C@H]1C[S@@]2=O	ZINC001588619459	983716978	/nfs/dbraw/zinc/71/69/78/983716978.db2.gz	UVZFQTWXQDFWOO-GSRNSYJJSA-N	-1	0	257.311	0.139	20	30		CCEDRM
C=C(CCC(=O)[O-])C(=O)N[C@@H]1C[C@H](OCC)[C@@H]1OC	ZINC001588621827	983721090	/nfs/dbraw/zinc/72/10/90/983721090.db2.gz	KPMPGIZXHUHJOZ-JFGNBEQYSA-N	-1	0	271.313	0.716	20	30		CCEDRM
C=C(CCC(=O)[O-])C(=O)N[C@@H](CO)C[C@H]1CCCO1	ZINC001588621903	983721308	/nfs/dbraw/zinc/72/13/08/983721308.db2.gz	MDSCERXXVNOOQI-GHMZBOCLSA-N	-1	0	271.313	0.454	20	30		CCEDRM
C=C(CCC(=O)[O-])C(=O)N[C@H]1CCCCNC1=O	ZINC001588622876	983725577	/nfs/dbraw/zinc/72/55/77/983725577.db2.gz	GDCNYHBKPGSPSP-VIFPVBQESA-N	-1	0	254.286	0.192	20	30		CCEDRM
CCN(CCC#N)S(=O)(=O)N(C)[C@H]1C[C@@H](C(=O)[O-])C1	ZINC001596299662	983725711	/nfs/dbraw/zinc/72/57/11/983725711.db2.gz	SYEYWLNUJJZCHE-AOOOYVTPSA-N	-1	0	289.357	0.262	20	30		CCEDRM
C=C(CCC(=O)[O-])C(=O)NC[C@@](C)(O)CCOC	ZINC001588623146	983726515	/nfs/dbraw/zinc/72/65/15/983726515.db2.gz	KGTXTKPGHJQGSM-LBPRGKRZSA-N	-1	0	259.302	0.311	20	30		CCEDRM
C=C(CCC(=O)[O-])C(=O)N[C@@H]1CCOC12CCOCC2	ZINC001588623175	983726957	/nfs/dbraw/zinc/72/69/57/983726957.db2.gz	KTQULSVUYSTTJD-LLVKDONJSA-N	-1	0	283.324	0.862	20	30		CCEDRM
CCN(CCC#N)S(=O)(=O)NC(CC)(CC)C(=O)[O-]	ZINC001596300075	983727987	/nfs/dbraw/zinc/72/79/87/983727987.db2.gz	LLKFJCVRYKVGJN-UHFFFAOYSA-N	-1	0	291.373	0.700	20	30		CCEDRM
C=C(CCC(=O)[O-])C(=O)N[C@H]1Cc2cnccc2NC1=O	ZINC001588623535	983728385	/nfs/dbraw/zinc/72/83/85/983728385.db2.gz	SEDBULHHEGZJNP-NSHDSACASA-N	-1	0	289.291	0.482	20	30		CCEDRM
C=C(CCC(=O)[O-])C(=O)NCCS(=O)(=O)CC1CC1	ZINC001588624321	983731704	/nfs/dbraw/zinc/73/17/04/983731704.db2.gz	FCHQRKUJVFOZBY-UHFFFAOYSA-N	-1	0	289.353	0.348	20	30		CCEDRM
C=C(CCC(=O)[O-])C(=O)NCCN1C[C@@H](C)OC[C@@H]1C	ZINC001588624617	983733969	/nfs/dbraw/zinc/73/39/69/983733969.db2.gz	QAPWOJFWSRBZKZ-NWDGAFQWSA-N	-1	0	284.356	0.633	20	30		CCEDRM
C=C(CCC(=O)[O-])C(=O)NCCN1CCOC[C@@H]1CC	ZINC001588624713	983734534	/nfs/dbraw/zinc/73/45/34/983734534.db2.gz	UBQZISHWNMJIMC-LBPRGKRZSA-N	-1	0	284.356	0.634	20	30		CCEDRM
C=C(CCC(=O)OC)C(=O)NCCSCC(=O)[O-]	ZINC001588634193	983752674	/nfs/dbraw/zinc/75/26/74/983752674.db2.gz	YFPLWLQFPHSZOA-UHFFFAOYSA-N	-1	0	275.326	0.430	20	30		CCEDRM
C=C(CO)C(=O)Nc1nc(CCC(=O)[O-])cs1	ZINC001588637390	983759987	/nfs/dbraw/zinc/75/99/87/983759987.db2.gz	NNIVTAJUHMMBQM-UHFFFAOYSA-N	-1	0	256.283	0.647	20	30		CCEDRM
C=C(COC(=O)c1cc(C(=O)[O-])nn1C)C(=O)OCC	ZINC001588637835	983761536	/nfs/dbraw/zinc/76/15/36/983761536.db2.gz	WTRMXPSJRJBCMD-UHFFFAOYSA-N	-1	0	282.252	0.394	20	30		CCEDRM
C=C[C@@H](C(=O)[O-])N1CCN(C2=NC[C@@H](C)S2)CC1	ZINC001588669824	983815441	/nfs/dbraw/zinc/81/54/41/983815441.db2.gz	QNQKSWWAKCVZSU-ZJUUUORDSA-N	-1	0	269.370	0.735	20	30		CCEDRM
C=CC(C)(C)CNC(=O)N1C[C@@H](C(=O)[O-])[C@H](C(=O)OC)C1	ZINC001588676839	983831565	/nfs/dbraw/zinc/83/15/65/983831565.db2.gz	FFBLQGJFEAVGON-NXEZZACHSA-N	-1	0	298.339	0.714	20	30		CCEDRM
C=CC(C)(C)NS(=O)(=O)c1n[nH]c(C)c1C(=O)[O-]	ZINC001588681170	983838300	/nfs/dbraw/zinc/83/83/00/983838300.db2.gz	QAPBAXSMYQNAGQ-UHFFFAOYSA-N	-1	0	273.314	0.659	20	30		CCEDRM
C=C[C@](C)(CC)C(=O)NCCC(=O)NCCC(=O)[O-]	ZINC001588682235	983843342	/nfs/dbraw/zinc/84/33/42/983843342.db2.gz	JVUCSUTXZLYAMB-CYBMUJFWSA-N	-1	0	270.329	0.686	20	30		CCEDRM
C=C[C@](C)(O)C(=O)N[C@H]1CCCn2nc(C(=O)[O-])cc21	ZINC001588682676	983845067	/nfs/dbraw/zinc/84/50/67/983845067.db2.gz	PORNYWBZILFQFS-SDBXPKJASA-N	-1	0	279.296	0.469	20	30		CCEDRM
C=C[C@@](C)(O)c1cn(CC2(CC(=O)[O-])CC2)nn1	ZINC001588684759	983863186	/nfs/dbraw/zinc/86/31/86/983863186.db2.gz	XRZRYIKUMPQJEG-LLVKDONJSA-N	-1	0	251.286	0.927	20	30		CCEDRM
C=C[C@H](COC)NS(=O)(=O)[C@@H]1CCCC[C@@H]1C(=O)[O-]	ZINC001588692753	983886241	/nfs/dbraw/zinc/88/62/41/983886241.db2.gz	JFUTZNVOEHTHAQ-OUAUKWLOSA-N	-1	0	291.369	0.750	20	30		CCEDRM
C=C[C@H](OC(=O)[C@@H](C(C)C)N1CCCC1=O)C(=O)[O-]	ZINC001588703910	983922681	/nfs/dbraw/zinc/92/26/81/983922681.db2.gz	AYIXEBLGKBYJOS-GXSJLCMTSA-N	-1	0	269.297	0.816	20	30		CCEDRM
C=C[C@@H](OC(=O)[C@@H](C)Sc1nncn1C)C(=O)[O-]	ZINC001588706200	983930472	/nfs/dbraw/zinc/93/04/72/983930472.db2.gz	WLKWORPOTBEAAW-RNFRBKRXSA-N	-1	0	271.298	0.478	20	30		CCEDRM
C=C[C@@H](OC(=O)C[S@](=O)c1cccc(OC)c1)C(=O)[O-]	ZINC001588711201	983936786	/nfs/dbraw/zinc/93/67/86/983936786.db2.gz	MWWJVKPTHIFJSE-GIPWTMENSA-N	-1	0	298.316	0.985	20	30		CCEDRM
C=C[C@@H](OC(=O)[C@@H]1CC[C@H](C(=O)[O-])C1)C(=O)OC	ZINC001588711981	983941133	/nfs/dbraw/zinc/94/11/33/983941133.db2.gz	RZNCNELOPUWOEZ-DJLDLDEBSA-N	-1	0	256.254	0.758	20	30		CCEDRM
C=C[C@H](Sc1nc2nc(N)nc(N)c2[nH]1)C(=O)[O-]	ZINC001588714844	983953219	/nfs/dbraw/zinc/95/32/19/983953219.db2.gz	PCRNGWVWKKRMRS-VKHMYHEASA-N	-1	0	266.286	0.249	20	30		CCEDRM
C=CC[C@@H](C(=O)[O-])N1CCO[C@H](CC(=O)OC)C1	ZINC001588731275	984007514	/nfs/dbraw/zinc/00/75/14/984007514.db2.gz	HDGUQZVESPACKA-ZJUUUORDSA-N	-1	0	257.286	0.280	20	30		CCEDRM
C=CCC(C)(C)C(=O)NCCCNC(=O)[C@H]1C[C@@H]1C(=O)[O-]	ZINC001588732001	984015325	/nfs/dbraw/zinc/01/53/25/984015325.db2.gz	SZKBWAGFNOOLAR-QWRGUYRKSA-N	-1	0	296.367	0.932	20	30		CCEDRM
C=CC[C@@H](CO)NC(=O)C(=O)Nc1cc(C)[nH]c1C(=O)[O-]	ZINC001588744948	984047296	/nfs/dbraw/zinc/04/72/96/984047296.db2.gz	SIASSDQIIZHTMG-QMMMGPOBSA-N	-1	0	295.295	0.013	20	30		CCEDRM
C=CC[C@@H](OC(=O)[C@H](CC(C)C)C(N)=O)C(=O)[O-]	ZINC001588751008	984075092	/nfs/dbraw/zinc/07/50/92/984075092.db2.gz	JNSNIGMRDWEHNT-RKDXNWHRSA-N	-1	0	257.286	0.707	20	30		CCEDRM
C=CC[C@H](OC(=O)C1CCS(=O)(=O)CC1)C(=O)[O-]	ZINC001588753850	984089164	/nfs/dbraw/zinc/08/91/64/984089164.db2.gz	OPRUNELAJPPYGE-VIFPVBQESA-N	-1	0	276.310	0.384	20	30		CCEDRM
C=CC[C@@H](OC(=O)c1nc(OC)cc(OC)n1)C(=O)[O-]	ZINC001588759193	984110913	/nfs/dbraw/zinc/11/09/13/984110913.db2.gz	RABZJVQVEYPOON-SSDOTTSWSA-N	-1	0	282.252	0.680	20	30		CCEDRM
C=CC[C@@H](OC(=O)c1cnc2ncnn2c1CC)C(=O)[O-]	ZINC001588759529	984112238	/nfs/dbraw/zinc/11/22/38/984112238.db2.gz	WBOMCCFALDIHQU-SNVBAGLBSA-N	-1	0	290.279	0.873	20	30		CCEDRM
C=CCCC(=O)COC(=O)c1cc(C(=O)[O-])nn1C	ZINC001588773728	984149200	/nfs/dbraw/zinc/14/92/00/984149200.db2.gz	HHVLWZCSVNJZQZ-UHFFFAOYSA-N	-1	0	266.253	0.810	20	30		CCEDRM
C=CCCC(=O)N[C@@H]1CCN(c2ncc(C(=O)[O-])cn2)C1	ZINC001588776688	984152688	/nfs/dbraw/zinc/15/26/88/984152688.db2.gz	BLMIOPKYJRNYTB-LLVKDONJSA-N	-1	0	290.323	0.836	20	30		CCEDRM
CCNC(=O)CC(=O)O[C@H](C(=O)[O-])c1cccc(C#N)c1	ZINC001596456080	984160485	/nfs/dbraw/zinc/16/04/85/984160485.db2.gz	DXINQTUNHOFQNM-ZDUSSCGKSA-N	-1	0	290.275	0.753	20	30		CCEDRM
C=CCCCC(=O)N1C[C@H](C(=O)[O-])[C@@H](C(=O)OC)C1	ZINC001588781529	984166548	/nfs/dbraw/zinc/16/65/48/984166548.db2.gz	AVVINCXDLSEHEQ-UWVGGRQHSA-N	-1	0	269.297	0.675	20	30		CCEDRM
C=CCCC[C@H](NC(=O)[C@@H](C)S(C)(=O)=O)C(=O)[O-]	ZINC001588785939	984182191	/nfs/dbraw/zinc/18/21/91/984182191.db2.gz	KSTKBEOCYLGNFY-BDAKNGLRSA-N	-1	0	277.342	0.345	20	30		CCEDRM
C=CCCC[C@H](NC(=O)Cc1nonc1C)C(=O)[O-]	ZINC001588794159	984224763	/nfs/dbraw/zinc/22/47/63/984224763.db2.gz	MVKLFDDXZSHZLP-VIFPVBQESA-N	-1	0	267.285	0.846	20	30		CCEDRM
C=CCCC[C@@H](NC(=O)[C@@H]1COC(=O)N1)C(=O)[O-]	ZINC001588794190	984225320	/nfs/dbraw/zinc/22/53/20/984225320.db2.gz	NXLMVDIYCJIKHE-SFYZADRCSA-N	-1	0	256.258	0.021	20	30		CCEDRM
C=CCCC[C@H](NS(=O)(=O)N1CCC1)C(=O)[O-]	ZINC001588798097	984233311	/nfs/dbraw/zinc/23/33/11/984233311.db2.gz	TUBRVKRRQFTDIB-VIFPVBQESA-N	-1	0	262.331	0.336	20	30		CCEDRM
C=CCCCNC(=O)C(=O)N1CCC[C@H]1CC(=O)[O-]	ZINC001588801245	984244885	/nfs/dbraw/zinc/24/48/85/984244885.db2.gz	BTBNTZBFSSUASR-JTQLQIEISA-N	-1	0	268.313	0.535	20	30		CCEDRM
CCOC(=O)C(C)(C)C(=O)N(CC#N)CCC(=O)[O-]	ZINC001596509944	984275607	/nfs/dbraw/zinc/27/56/07/984275607.db2.gz	DCPBCKZJJSEWRD-UHFFFAOYSA-N	-1	0	270.285	0.403	20	30		CCEDRM
C=CCCn1cc([C@H]2NC(=O)N(C)C(C)=C2C(=O)[O-])nn1	ZINC001588817361	984275890	/nfs/dbraw/zinc/27/58/90/984275890.db2.gz	IWZXQCOFEMQGFQ-LLVKDONJSA-N	-1	0	291.311	0.909	20	30		CCEDRM
C=CCN(C(=O)[C@H]1CC[C@@H](C(=O)[O-])O1)[C@@H](C)COC	ZINC001588820701	984285477	/nfs/dbraw/zinc/28/54/77/984285477.db2.gz	OMMHRGUPZNDXMT-AXFHLTTASA-N	-1	0	271.313	0.668	20	30		CCEDRM
C=CCN1CC(=O)N(CC(C)(C)CC(=O)[O-])C1=O	ZINC001588836561	984328062	/nfs/dbraw/zinc/32/80/62/984328062.db2.gz	BDPLXFDDYFPNCL-UHFFFAOYSA-N	-1	0	254.286	0.938	20	30		CCEDRM
C=CCN1CCN(CN2CCOC[C@@H]2CC(=O)[O-])C1=O	ZINC001588839262	984346479	/nfs/dbraw/zinc/34/64/79/984346479.db2.gz	QHJDQBYFFPPRTL-NSHDSACASA-N	-1	0	283.328	0.043	20	30		CCEDRM
C=CCNC(=O)C[S@@](=O)Cc1cccc(C(=O)[O-])n1	ZINC001588844852	984360731	/nfs/dbraw/zinc/36/07/31/984360731.db2.gz	XFHACKXPQYQSJO-IBGZPJMESA-N	-1	0	282.321	0.331	20	30		CCEDRM
C=CCNC(=S)NN=Cc1cc(C(=O)[O-])no1	ZINC001588845505	984363288	/nfs/dbraw/zinc/36/32/88/984363288.db2.gz	SEKXFHAGBRXWFF-UHFFFAOYSA-N	-1	0	254.271	0.357	20	30		CCEDRM
C=CCOC[C@H](NC(=O)[C@@H](C)c1cncnc1)C(=O)[O-]	ZINC001588855347	984391844	/nfs/dbraw/zinc/39/18/44/984391844.db2.gz	FJKBDSXUENOMSD-ONGXEEELSA-N	-1	0	279.296	0.352	20	30		CCEDRM
C=CCOC[C@H](NC(=O)[C@@H]1CCCCN1C(C)=O)C(=O)[O-]	ZINC001588856118	984397355	/nfs/dbraw/zinc/39/73/55/984397355.db2.gz	VGOOFIAXFKHKEN-RYUDHWBXSA-N	-1	0	298.339	0.159	20	30		CCEDRM
C=CCOC[C@@H](NC(=O)[C@@](C)(O)c1ccccc1)C(=O)[O-]	ZINC001588856531	984400972	/nfs/dbraw/zinc/40/09/72/984400972.db2.gz	LQSLTYXMASWTLE-DOMZBBRYSA-N	-1	0	293.319	0.666	20	30		CCEDRM
C=CCOC[C@H](NC(=O)N1C[C@@H](C)O[C@@H](C)C1)C(=O)[O-]	ZINC001588856627	984401327	/nfs/dbraw/zinc/40/13/27/984401327.db2.gz	NYSJPKRSXDVKLL-AXFHLTTASA-N	-1	0	286.328	0.461	20	30		CCEDRM
C=CCOC[C@@H](NC(=O)Cc1cncc(O)c1)C(=O)[O-]	ZINC001588857440	984403364	/nfs/dbraw/zinc/40/33/64/984403364.db2.gz	ZCANZWPVYVUJDJ-LLVKDONJSA-N	-1	0	280.280	0.102	20	30		CCEDRM
C=CCOC[C@H](NC(=O)N(C)C1CCOCC1)C(=O)[O-]	ZINC001588857464	984403458	/nfs/dbraw/zinc/40/34/58/984403458.db2.gz	ZJLZCLQIUYHZGR-NSHDSACASA-N	-1	0	286.328	0.463	20	30		CCEDRM
C=CCOC[C@@H](NC(=O)c1cc(C)[nH]c(=O)c1)C(=O)[O-]	ZINC001588859612	984407196	/nfs/dbraw/zinc/40/71/96/984407196.db2.gz	RGBKZVWNXNFAOI-SNVBAGLBSA-N	-1	0	280.280	0.481	20	30		CCEDRM
C=CCOC[C@H](NC(=O)c1csc(CO)n1)C(=O)[O-]	ZINC001588859884	984409252	/nfs/dbraw/zinc/40/92/52/984409252.db2.gz	AHFJPJVJJAMTSN-ZETCQYMHSA-N	-1	0	286.309	0.021	20	30		CCEDRM
C=CCOC[C@@H](NC(=O)c1cnc(F)c(C)c1)C(=O)[O-]	ZINC001588859944	984409654	/nfs/dbraw/zinc/40/96/54/984409654.db2.gz	CIDPNFGAXCXTHA-SNVBAGLBSA-N	-1	0	282.271	0.915	20	30		CCEDRM
C=CCOC[C@H](NC(=O)c1cn2ccccc2n1)C(=O)[O-]	ZINC001588860186	984411252	/nfs/dbraw/zinc/41/12/52/984411252.db2.gz	LSLBJDHJWXGFDF-NSHDSACASA-N	-1	0	289.291	0.720	20	30		CCEDRM
C=CCOC[C@@H](NS(=O)(=O)c1ccns1)C(=O)[O-]	ZINC001588866893	984428999	/nfs/dbraw/zinc/42/89/99/984428999.db2.gz	SSWXKZLTEYBRHL-SSDOTTSWSA-N	-1	0	292.338	0.077	20	30		CCEDRM
C=CCn1c(C(C)C)nnc1N1CCO[C@H](C(=O)[O-])C1	ZINC001588896926	984505564	/nfs/dbraw/zinc/50/55/64/984505564.db2.gz	VSTLRTRRRJPBDF-JTQLQIEISA-N	-1	0	280.328	0.877	20	30		CCEDRM
C=CCn1cc(C(=O)OCC2(CC(=O)[O-])CC2)nn1	ZINC001588909184	984542795	/nfs/dbraw/zinc/54/27/95/984542795.db2.gz	NHPVSQPQPUFQRD-UHFFFAOYSA-N	-1	0	265.269	0.876	20	30		CCEDRM
C=C[C@@H]1OCC[C@H]1NC(=O)N1C[C@@H](C)O[C@H](C(=O)[O-])C1	ZINC001588919563	984572889	/nfs/dbraw/zinc/57/28/89/984572889.db2.gz	DQLADNFFQLUOSW-ZNSHCXBVSA-N	-1	0	284.312	0.213	20	30		CCEDRM
C=C[C@H](CO)NC(=O)NCc1ccc(C(=O)[O-])c(OC)c1	ZINC001588920005	984575602	/nfs/dbraw/zinc/57/56/02/984575602.db2.gz	ROERCRNIXDVLTJ-SNVBAGLBSA-N	-1	0	294.307	0.740	20	30		CCEDRM
CC#CCCCC(=O)N1CC(NC(=O)[C@H]2C[C@@H]2C(=O)[O-])C1	ZINC001588924723	984582751	/nfs/dbraw/zinc/58/27/51/984582751.db2.gz	CCKUCCQGTDBRDM-RYUDHWBXSA-N	-1	0	292.335	0.228	20	30		CCEDRM
CC#CC[C@@H](CO)NS(=O)(=O)c1ccccc1C(=O)[O-]	ZINC001588924808	984583706	/nfs/dbraw/zinc/58/37/06/984583706.db2.gz	FMCCGBKGNZRGPC-JTQLQIEISA-N	-1	0	297.332	0.437	20	30		CCEDRM
CC#CC[C@@H](CO)NC(=O)Nc1c(C(=O)[O-])cnn1C	ZINC001588926217	984592166	/nfs/dbraw/zinc/59/21/66/984592166.db2.gz	NLGJQYJUMCCLAE-QMMMGPOBSA-N	-1	0	280.284	0.014	20	30		CCEDRM
CC#CCCNS(=O)(=O)c1n[nH]c(C)c1C(=O)[O-]	ZINC001588927416	984598742	/nfs/dbraw/zinc/59/87/42/984598742.db2.gz	XABWHARVKYXUNK-UHFFFAOYSA-N	-1	0	271.298	0.108	20	30		CCEDRM
CC#CCNC(=O)N[C@@H]1CCCn2nc(C(=O)[O-])cc21	ZINC001588932314	984607099	/nfs/dbraw/zinc/60/70/99/984607099.db2.gz	RAEDLANGENYRCH-SECBINFHSA-N	-1	0	276.296	0.739	20	30		CCEDRM
C[C@H]1CN(C(=O)c2ccc(C#N)cc2)C[C@@H](C(=O)[O-])O1	ZINC001599925501	985193938	/nfs/dbraw/zinc/19/39/38/985193938.db2.gz	HJPFQVJURUTJBJ-CABZTGNLSA-N	-1	0	274.276	0.872	20	30		CCEDRM
CC(=O)NCCCCCN(CC#N)CCC(=O)[O-]	ZINC001589136738	985436491	/nfs/dbraw/zinc/43/64/91/985436491.db2.gz	PIFMGZBHFDVQJN-UHFFFAOYSA-N	-1	0	255.318	0.593	20	30		CCEDRM
C[C@H]1CN(C(=O)[C@H]2C[C@H]2C(=O)[O-])C[C@H](C)N1CC#N	ZINC001594486092	985562637	/nfs/dbraw/zinc/56/26/37/985562637.db2.gz	PRFUWQHPBDVCDW-XWLWVQCSSA-N	-1	0	265.313	0.152	20	30		CCEDRM
CCOCCO[C@H](C)C(=O)N1CCC(C#N)(C(=O)[O-])CC1	ZINC001596931996	986028650	/nfs/dbraw/zinc/02/86/50/986028650.db2.gz	LASAQGNEDVCEHP-LLVKDONJSA-N	-1	0	298.339	0.645	20	30		CCEDRM
C[C@H](C#N)C(=O)N1CCC(O)(C2(C(=O)[O-])CCC2)CC1	ZINC001589324236	986155850	/nfs/dbraw/zinc/15/58/50/986155850.db2.gz	YSPKPTDZMVDSNJ-SNVBAGLBSA-N	-1	0	280.324	0.754	20	30		CCEDRM
C[C@@H](C#N)C(=O)N[C@H]1CCOC2(CC(C(=O)[O-])C2)C1	ZINC001589328398	986156605	/nfs/dbraw/zinc/15/66/05/986156605.db2.gz	AVOFTNRXSATGSY-SVPDRVBRSA-N	-1	0	266.297	0.675	20	30		CCEDRM
C[C@H](C#N)CNC(=O)NC[C@@H](CC(=O)[O-])C1CC1	ZINC001589330750	986178462	/nfs/dbraw/zinc/17/84/62/986178462.db2.gz	PGAMLHIRTJNTQE-PSASIEDQSA-N	-1	0	253.302	0.946	20	30		CCEDRM
C[C@H](C#N)N(C(=O)CN1CCC[C@@H](C(=O)[O-])C1=O)C1CC1	ZINC001589331591	986188612	/nfs/dbraw/zinc/18/86/12/986188612.db2.gz	IWPJUMFLPXLIIK-MWLCHTKSSA-N	-1	0	293.323	0.213	20	30		CCEDRM
C[C@H](C(=O)N1CC[C@@H](C(=O)[O-])[C@@H](C)C1)n1cnc(C#N)n1	ZINC001589365105	986389531	/nfs/dbraw/zinc/38/95/31/986389531.db2.gz	OVWXSQLTPHYULT-IVZWLZJFSA-N	-1	0	291.311	0.280	20	30		CCEDRM
C[C@H](C(=O)NCC(=O)[O-])N1CCC[C@](C)(C#N)C1	ZINC001589397621	986540556	/nfs/dbraw/zinc/54/05/56/986540556.db2.gz	TXZXUOVUWAVZHR-BXKDBHETSA-N	-1	0	253.302	0.201	20	30		CCEDRM
CCc1[nH]c(C=NN(CC)CCO)cc1C(=O)[O-]	ZINC001597380745	987579380	/nfs/dbraw/zinc/57/93/80/987579380.db2.gz	XTTRWEQVAZVOOW-UHFFFAOYSA-N	-1	0	253.302	0.923	20	30		CCEDRM
CC(C)(C)C#CC(=O)N1CCC[C@@H]1C(=O)NCC(=O)[O-]	ZINC001589682278	987718562	/nfs/dbraw/zinc/71/85/62/987718562.db2.gz	UBXBKTAUDYUAMT-SNVBAGLBSA-N	-1	0	280.324	0.228	20	30		CCEDRM
C[C@@H]1CN(S(=O)(=O)N(C)CCC#N)C[C@H]1CC(=O)[O-]	ZINC001599867938	989301743	/nfs/dbraw/zinc/30/17/43/989301743.db2.gz	GURHVYQEQIKGBO-NXEZZACHSA-N	-1	0	289.357	0.119	20	30		CCEDRM
CC(C)(C)OC(=O)N[C@H](CCC(=O)[O-])C(=O)NCCC#N	ZINC001590118214	989327899	/nfs/dbraw/zinc/32/78/99/989327899.db2.gz	PMSMHTBYXSOUNZ-SECBINFHSA-N	-1	0	299.327	0.774	20	30		CCEDRM
CCc1oc(C=NNCCS(C)(=O)=O)cc1C(=O)[O-]	ZINC001597792694	989334275	/nfs/dbraw/zinc/33/42/75/989334275.db2.gz	FQMGAIICXVDQNF-UHFFFAOYSA-N	-1	0	288.325	0.508	20	30		CCEDRM
C[C@@H]1C[C@H](C(=O)N(C)c2ccc(C#N)nc2)O[C@H]1C(=O)[O-]	ZINC001599871741	989361099	/nfs/dbraw/zinc/36/10/99/989361099.db2.gz	APBLWYRYCPJWGN-GGZOMVNGSA-N	-1	0	289.291	0.794	20	30		CCEDRM
CCn1c([C@@H]2C[C@H]2C#N)nnc1N1CCO[C@@H](C(=O)[O-])C1	ZINC001597844714	989558596	/nfs/dbraw/zinc/55/85/96/989558596.db2.gz	QLJWDCITNGZUKD-IVZWLZJFSA-N	-1	0	291.311	0.215	20	30		CCEDRM
CCn1cc(/C=C2\CCn3nc(C(=O)[O-])cc3C2=O)nn1	ZINC001597879536	989699254	/nfs/dbraw/zinc/69/92/54/989699254.db2.gz	AWTMTZDXCRVYQN-VMPITWQZSA-N	-1	0	287.279	0.863	20	30		CCEDRM
CC(C)(C)n1nnnc1N(CC#N)CCC(=O)[O-]	ZINC001590614944	990285240	/nfs/dbraw/zinc/28/52/40/990285240.db2.gz	BUZKKHZGVQCXBN-UHFFFAOYSA-N	-1	0	252.278	0.233	20	30		CCEDRM
CC(C)(CC#N)CN1C(=O)N[C@@H]([C@@H]2C[C@H]2C(=O)[O-])C1=O	ZINC001590615566	990290930	/nfs/dbraw/zinc/29/09/30/990290930.db2.gz	XWPBEGZQDHXCQM-HLTSFMKQSA-N	-1	0	279.296	0.567	20	30		CCEDRM
CC(C)(NC[C@H](O)CC#N)c1cc(C(=O)[O-])on1	ZINC001590871224	990775658	/nfs/dbraw/zinc/77/56/58/990775658.db2.gz	HSCHSKRIFAYVPO-SSDOTTSWSA-N	-1	0	253.258	0.472	20	30		CCEDRM
CC(C)[C@](C)(C#N)NC(=O)CN1CCC[C@@H](C(=O)[O-])C1=O	ZINC001590961705	991061738	/nfs/dbraw/zinc/06/17/38/991061738.db2.gz	WSSLXALEBCXGEO-YGRLFVJLSA-N	-1	0	295.339	0.364	20	30		CCEDRM
CN(C)c1noc(CNc2ccc(C(=O)[O-])nc2C#N)n1	ZINC001598364241	991505800	/nfs/dbraw/zinc/50/58/00/991505800.db2.gz	DBERXEVEYNZKEJ-UHFFFAOYSA-N	-1	0	288.267	0.713	20	30		CCEDRM
CC(C)CN(CC(=O)[O-])c1cnc(C#N)c(C#N)n1	ZINC001591309567	992267485	/nfs/dbraw/zinc/26/74/85/992267485.db2.gz	ASNDQOMGESZPPU-UHFFFAOYSA-N	-1	0	259.269	0.767	20	30		CCEDRM
CN(CCNC(=O)[C@@H]1C[C@@H]1C(=O)[O-])c1ncccc1C#N	ZINC001598491847	992305872	/nfs/dbraw/zinc/30/58/72/992305872.db2.gz	WQJAEIAFBKLUIF-MNOVXSKESA-N	-1	0	288.307	0.226	20	30		CCEDRM
CC(C)N(CCC#N)C(=O)Cn1cc(C(=O)[O-])cn1	ZINC001591574665	992784667	/nfs/dbraw/zinc/78/46/67/992784667.db2.gz	QRBZICXZQOBCFY-UHFFFAOYSA-N	-1	0	264.285	0.732	20	30		CCEDRM
CNC(=O)[C@@H]1CCN(c2ccc(C(=O)[O-])nc2C#N)C1	ZINC001598639179	994290330	/nfs/dbraw/zinc/29/03/30/994290330.db2.gz	RMMJIBOVUXHYER-MRVPVSSYSA-N	-1	0	274.280	0.224	20	30		CCEDRM
COC(=O)[C@@H]1CC[C@@H](C(=O)[O-])N(Cc2ccc(C#N)o2)C1	ZINC001598775814	995928989	/nfs/dbraw/zinc/92/89/89/995928989.db2.gz	JDKVGGFFCHKJAQ-SKDRFNHKSA-N	-1	0	292.291	0.989	20	30		CCEDRM
COC(=O)[C@H]1CC[C@H](C(=O)[O-])N(C(=O)CC2(C#N)CC2)C1	ZINC001598779668	995970235	/nfs/dbraw/zinc/97/02/35/995970235.db2.gz	WYXJUVLALRWSKL-VHSXEESVSA-N	-1	0	294.307	0.545	20	30		CCEDRM
C[C@H](Sc1ccc(C#N)cn1)C(=O)NCC(=O)[O-]	ZINC001593664262	996050279	/nfs/dbraw/zinc/05/02/79/996050279.db2.gz	KMJYOUFZWGBLOO-ZETCQYMHSA-N	-1	0	265.294	0.635	20	30		CCEDRM
COC(=O)CC[C@@H](NC(=O)c1cc(C#N)cs1)C(=O)[O-]	ZINC001598857014	996646384	/nfs/dbraw/zinc/64/63/84/996646384.db2.gz	NPNBPJLACUBBSM-MRVPVSSYSA-N	-1	0	296.304	0.756	20	30		CCEDRM
COC(=O)CN(CC(=O)[O-])C(=O)c1cc(C#N)oc1C	ZINC001598861294	996676836	/nfs/dbraw/zinc/67/68/36/996676836.db2.gz	ZVZFDXYHQQGBRS-UHFFFAOYSA-N	-1	0	280.236	0.160	20	30		CCEDRM
COC(=O)C[C@@H](OC(=O)c1cc(C#N)oc1C)C(=O)[O-]	ZINC001598869631	996732177	/nfs/dbraw/zinc/73/21/77/996732177.db2.gz	XLRZYKCDLYMDJE-SECBINFHSA-N	-1	0	281.220	0.633	20	30		CCEDRM
COc1cc(C(=O)[O-])ccc1S(=O)(=O)N1CC(C#N)C1	ZINC001599380874	996841396	/nfs/dbraw/zinc/84/13/96/996841396.db2.gz	WXRLYGAIPMSMOC-UHFFFAOYSA-N	-1	0	296.304	0.537	20	30		CCEDRM
CO[C@]1(C(=O)[O-])CCN(C[C@H](C#N)CCC#N)C1	ZINC001599076973	996893410	/nfs/dbraw/zinc/89/34/10/996893410.db2.gz	CGUFGLQRMLOOIS-CMPLNLGQSA-N	-1	0	251.286	0.605	20	30		CCEDRM
COCC[C@@](C)(C#N)NC(=O)CCc1ocnc1C(=O)[O-]	ZINC001599207612	997438822	/nfs/dbraw/zinc/43/88/22/997438822.db2.gz	PKIALRJZRBOINQ-ZDUSSCGKSA-N	-1	0	295.295	0.740	20	30		CCEDRM
COCC[C@H](NC(=O)c1cc(C#N)cs1)C(=O)[O-]	ZINC001599215451	997574449	/nfs/dbraw/zinc/57/44/49/997574449.db2.gz	WSCVMLLCKMGJHC-QMMMGPOBSA-N	-1	0	268.294	0.839	20	30		CCEDRM
CO[C@@H]1COC[C@H]1NCc1cccc(C(=O)[O-])c1C#N	ZINC001599324262	997635267	/nfs/dbraw/zinc/63/52/67/997635267.db2.gz	VOGKSVUDCPXSME-CHWSQXEVSA-N	-1	0	276.292	0.760	20	30		CCEDRM
COC(=O)c1cc(C(=O)[O-])nn1CN1CC[C@](C)(C#N)C1	ZINC001598925101	997635443	/nfs/dbraw/zinc/63/54/43/997635443.db2.gz	OCNNHARFCXDVQT-CYBMUJFWSA-N	-1	0	292.295	0.561	20	30		CCEDRM
COCCN(CC#N)C(=O)c1c(C)coc1CC(=O)[O-]	ZINC001599231343	997862910	/nfs/dbraw/zinc/86/29/10/997862910.db2.gz	RPPDBHDBWZEYAM-UHFFFAOYSA-N	-1	0	280.280	0.827	20	30		CCEDRM
COCCN1CCN(c2ccc(C(=O)[O-])nc2C#N)CC1	ZINC001599242309	998066578	/nfs/dbraw/zinc/06/65/78/998066578.db2.gz	AJOXHEZAQQSUGP-UHFFFAOYSA-N	-1	0	290.323	0.420	20	30		CCEDRM
COCC#CC(=O)N1CC[C@@]2(C(=O)[O-])CCC[C@@H]12	ZINC001599137945	998076552	/nfs/dbraw/zinc/07/65/52/998076552.db2.gz	FTBMCMLSWKLLSL-MFKMUULPSA-N	-1	0	251.282	0.492	20	30		CCEDRM
COCC#CC(=O)N[C@]1(C)CCCC[C@@H]1C(=O)[O-]	ZINC001599138408	998084081	/nfs/dbraw/zinc/08/40/81/998084081.db2.gz	KRWNXBPAPCCJPU-ZWNOBZJWSA-N	-1	0	253.298	0.786	20	30		CCEDRM
C[C@@H]1C(=O)CC[C@@H]1CC(=O)N(CC#N)CC(=O)[O-]	ZINC001594120966	998275597	/nfs/dbraw/zinc/27/55/97/998275597.db2.gz	ACYQXOIXRRFYCX-DTWKUNHWSA-N	-1	0	252.270	0.428	20	30		CCEDRM
C[C@H]1C(=O)CC[C@H]1CC(=O)N(CC#N)CCC(=O)[O-]	ZINC001594121261	998278032	/nfs/dbraw/zinc/27/80/32/998278032.db2.gz	CSLXNQFZGXCULV-ZJUUUORDSA-N	-1	0	266.297	0.819	20	30		CCEDRM
C[C@@H]1C(=O)N(N=Cc2ccc(C(=O)[O-])cn2)C(=O)N1C	ZINC001594130122	998338813	/nfs/dbraw/zinc/33/88/13/998338813.db2.gz	YWHSIGDGDKVGIS-SSDOTTSWSA-N	-1	0	276.252	0.396	20	30		CCEDRM
C[C@H]1[C@@H](C(=O)[O-])CCN1C(=O)Cc1ccc(C#N)nc1	ZINC001594148413	998506022	/nfs/dbraw/zinc/50/60/22/998506022.db2.gz	ZZLSQURFMMCFJW-CABZTGNLSA-N	-1	0	273.292	0.817	20	30		CCEDRM
COC[C@@H](NC(=O)Cc1c(C)cc(C#N)cc1C)C(=O)[O-]	ZINC001599168629	998580229	/nfs/dbraw/zinc/58/02/29/998580229.db2.gz	GBVQMYMONKRNMG-CYBMUJFWSA-N	-1	0	290.319	0.933	20	30		CCEDRM
C[C@@H]1CN(C(=O)NC2CC(C(=O)[O-])C2)C[C@@H](C)N1CC#N	ZINC001594470500	999701864	/nfs/dbraw/zinc/70/18/64/999701864.db2.gz	KYEFTFUOZXEAFG-QYNFOATHSA-N	-1	0	294.355	0.477	20	30		CCEDRM
CS(=O)(=O)[N-]c1ccc(C(=O)NCC2(C#N)CC2)cn1	ZINC000599877147	361823692	/nfs/dbraw/zinc/82/36/92/361823692.db2.gz	VVIISJVNOCAFRC-UHFFFAOYSA-N	-1	0	294.336	0.487	20	30		CCEDRM
CC(C)[C@@H](CNC(=O)N1CCO[C@H](C#N)C1)C(=O)[O-]	ZINC000093937521	349557426	/nfs/dbraw/zinc/55/74/26/349557426.db2.gz	JFYLKOLSWRGZAO-NXEZZACHSA-N	-1	0	269.301	0.277	20	30		CCEDRM
CO[C@@H]1CN(S(=O)(=O)CCCC#N)[C@](C)(C(=O)[O-])C1	ZINC000600659321	362027970	/nfs/dbraw/zinc/02/79/70/362027970.db2.gz	OETQMEWUUJQMTP-ONGXEEELSA-N	-1	0	290.341	0.184	20	30		CCEDRM
CC[C@H](C#N)S(=O)(=O)[N-]c1cnn(CCF)c1	ZINC000600659536	362028150	/nfs/dbraw/zinc/02/81/50/362028150.db2.gz	FQVZDCXAYSZKJY-SECBINFHSA-N	-1	0	260.294	0.896	20	30		CCEDRM
C[C@H](C#N)CN(C)C(=O)C(=O)N1CC[C@@H](C(=O)[O-])[C@H](C)C1	ZINC000600799775	362061346	/nfs/dbraw/zinc/06/13/46/362061346.db2.gz	YDURGIMDCYUUAH-GMTAPVOTSA-N	-1	0	295.339	0.174	20	30		CCEDRM
C=C(C)C[C@H](NC(=O)Cn1cc([N+](=O)[O-])nc1C)C(=O)[O-]	ZINC000600874333	362084339	/nfs/dbraw/zinc/08/43/39/362084339.db2.gz	OXBAOVUERNJWLJ-VIFPVBQESA-N	-1	0	296.283	0.635	20	30		CCEDRM
N#C[C@@H]1CN(S(=O)(=O)c2cc([O-])cc(F)c2)CCO1	ZINC000601338440	362234484	/nfs/dbraw/zinc/23/44/84/362234484.db2.gz	VITWPSJTAOYHHW-SNVBAGLBSA-N	-1	0	286.284	0.444	20	30		CCEDRM
C=CC[C@H]1CCCN(C(=O)c2n[nH]c(=O)[n-]c2=O)C1	ZINC000617781702	365775050	/nfs/dbraw/zinc/77/50/50/365775050.db2.gz	RVQMPVDCXHWPIF-QMMMGPOBSA-N	-1	0	264.285	0.711	20	30		CCEDRM
C[C@@H](C#N)CN(C1CC1)S(=O)(=O)c1ncc[n-]1	ZINC000601378279	362250152	/nfs/dbraw/zinc/25/01/52/362250152.db2.gz	QZFUWNFJYRCRFZ-QMMMGPOBSA-N	-1	0	254.315	0.722	20	30		CCEDRM
N#Cc1ccc(S(=O)(=O)N2CC[C@H](C(=O)[O-])C2)cn1	ZINC000127108493	187283199	/nfs/dbraw/zinc/28/31/99/187283199.db2.gz	GEKPKGKJNDBLSH-QMMMGPOBSA-N	-1	0	281.293	0.048	20	30		CCEDRM
CC(C)CCN(C)C(=O)Cn1cc(C#N)c(=O)[n-]c1=O	ZINC000602056114	362469056	/nfs/dbraw/zinc/46/90/56/362469056.db2.gz	NUEOVLNAVZEIIX-UHFFFAOYSA-N	-1	0	278.312	0.325	20	30		CCEDRM
N#Cc1ccc(S(=O)(=O)N2C[C@H]3C[C@@]3(C(=O)[O-])C2)o1	ZINC000573737809	334962358	/nfs/dbraw/zinc/96/23/58/334962358.db2.gz	AHTYLTVFJGLPGK-RDDDGLTNSA-N	-1	0	282.277	0.246	20	30		CCEDRM
Cn1cc(C#N)c(=NC(=O)c2ccc(OC(F)F)cn2)[n-]1	ZINC000361867398	232268057	/nfs/dbraw/zinc/26/80/57/232268057.db2.gz	ZYIKEGMXWYHMHR-UHFFFAOYSA-N	-1	0	293.233	0.962	20	30		CCEDRM
Cn1cc(C#N)c(=NC(=O)N2C[C@@H]3COC[C@]3(C)C2)[n-]1	ZINC000602886108	362864021	/nfs/dbraw/zinc/86/40/21/362864021.db2.gz	JDGCYVPVAFWEQJ-MFKMUULPSA-N	-1	0	275.312	0.214	20	30		CCEDRM
C[C@H]1O[C@@H](C)[C@@H](C)[C@@H]1NC(=O)N=c1[n-]n(C)cc1C#N	ZINC000602885035	362864554	/nfs/dbraw/zinc/86/45/54/362864554.db2.gz	YFASGURBAJUQAJ-LOKLDPHHSA-N	-1	0	277.328	0.647	20	30		CCEDRM
C[C@H]1CCC[C@@H](CNC(=O)N=c2[n-]n(C)cc2C#N)O1	ZINC000602885945	362865207	/nfs/dbraw/zinc/86/52/07/362865207.db2.gz	GSFWEVMOONVJRG-ONGXEEELSA-N	-1	0	277.328	0.793	20	30		CCEDRM
C[C@H](Cc1ccccn1)NC(=O)N=c1[n-]n(C)cc1C#N	ZINC000602886672	362866170	/nfs/dbraw/zinc/86/61/70/362866170.db2.gz	LYNZFLCLJPCJMS-SNVBAGLBSA-N	-1	0	284.323	0.861	20	30		CCEDRM
Cn1cc(C#N)c(=NC(=O)NCC[C@H]2CC2(F)F)[n-]1	ZINC000602886610	362866535	/nfs/dbraw/zinc/86/65/35/362866535.db2.gz	KEIRVHZJLFNSPQ-QMMMGPOBSA-N	-1	0	269.255	0.880	20	30		CCEDRM
N#Cc1cc2c(nc1N1CCO[C@@H](C(=O)[O-])C1)CCC2	ZINC000043703164	348313167	/nfs/dbraw/zinc/31/31/67/348313167.db2.gz	HIJBAPQUHDMUEZ-GFCCVEGCSA-N	-1	0	273.292	0.732	20	30		CCEDRM
N#Cc1ccc(NCc2n[n-]c(=N)o2)c([N+](=O)[O-])c1	ZINC000346111592	137268056	/nfs/dbraw/zinc/26/80/56/137268056.db2.gz	AIXMKDUVTVEEOE-UHFFFAOYSA-N	-1	0	260.213	0.874	20	30		CCEDRM
Cc1cc(C(=O)N=c2[n-]n(C)cc2C#N)nc(C)n1	ZINC000347567638	137343230	/nfs/dbraw/zinc/34/32/30/137343230.db2.gz	OVIIYXPGVUFALA-UHFFFAOYSA-N	-1	0	256.269	0.373	20	30		CCEDRM
N#Cc1cccc(S(=O)(=O)N2CCOC[C@@H]2C(=O)[O-])c1	ZINC000088377020	349366616	/nfs/dbraw/zinc/36/66/16/349366616.db2.gz	AAVAEXHTMSSQBN-LLVKDONJSA-N	-1	0	296.304	0.032	20	30		CCEDRM
N#Cc1ccc(S(=O)(=O)[N-]c2nnc[nH]2)c(F)c1	ZINC000125482365	350122167	/nfs/dbraw/zinc/12/21/67/350122167.db2.gz	XSQYALFGCKUJMR-UHFFFAOYSA-N	-1	0	267.245	0.616	20	30		CCEDRM
N#Cc1c[nH]c(C(=O)Nc2n[nH]c(SCCO)n2)c1	ZINC000155330784	350615770	/nfs/dbraw/zinc/61/57/70/350615770.db2.gz	HOYLPWHSURYZMI-UHFFFAOYSA-N	-1	0	278.297	0.341	20	30		CCEDRM
COC[C@H](NS(=O)(=O)c1cc(C#N)ccc1C)C(=O)[O-]	ZINC000158602450	350660597	/nfs/dbraw/zinc/66/05/97/350660597.db2.gz	BNTLRONNBQDVAB-JTQLQIEISA-N	-1	0	298.320	0.245	20	30		CCEDRM
N#Cc1ccc(S(=O)(=O)N[C@H](C(=O)[O-])C2CC2)cn1	ZINC000159655293	350683924	/nfs/dbraw/zinc/68/39/24/350683924.db2.gz	FXFLFHPHGMUGOO-JTQLQIEISA-N	-1	0	281.293	0.095	20	30		CCEDRM
N#Cc1ncccc1S(=O)(=O)NCC1CSC1	ZINC000603383515	363102296	/nfs/dbraw/zinc/10/22/96/363102296.db2.gz	GFWKAUPXWGSWDW-UHFFFAOYSA-N	-1	0	269.351	0.595	20	30		CCEDRM
C[C@H](CNc1ncc(C#N)cc1[N+](=O)[O-])C(=O)[O-]	ZINC000235492869	352184217	/nfs/dbraw/zinc/18/42/17/352184217.db2.gz	VAFWQDHTSAWUNR-ZCFIWIBFSA-N	-1	0	250.214	0.994	20	30		CCEDRM
Cc1cc(S(=O)(=O)N2CC(C(=O)[O-])C2)ccc1C#N	ZINC000235912261	352189735	/nfs/dbraw/zinc/18/97/35/352189735.db2.gz	ARTGIHBEQCUCLU-UHFFFAOYSA-N	-1	0	280.305	0.572	20	30		CCEDRM
C=CC[C@@H](NS(=O)(=O)Cc1ccon1)C(=O)[O-]	ZINC000274944029	353174672	/nfs/dbraw/zinc/17/46/72/353174672.db2.gz	RKCVLQOVYRKFHO-MRVPVSSYSA-N	-1	0	260.271	0.123	20	30		CCEDRM
N#Cc1ccc(O[C@@H]2CCN(Cc3nc(=O)[n-][nH]3)C2)nc1	ZINC000292364435	198259799	/nfs/dbraw/zinc/25/97/99/198259799.db2.gz	YDFGJNMFSFVMNY-SNVBAGLBSA-N	-1	0	286.295	0.018	20	30		CCEDRM
C=CCN(CC(=O)[O-])S(=O)(=O)CCCCOC	ZINC000275306827	353203861	/nfs/dbraw/zinc/20/38/61/353203861.db2.gz	NRKBNVNQIFVNBP-UHFFFAOYSA-N	-1	0	265.331	0.315	20	30		CCEDRM
CCOC[C@@H](NS(=O)(=O)c1ccccc1C#N)C(=O)[O-]	ZINC000290955176	353759967	/nfs/dbraw/zinc/75/99/67/353759967.db2.gz	MPPJAMMKAYEZRM-SNVBAGLBSA-N	-1	0	298.320	0.326	20	30		CCEDRM
N#Cc1cncc(S(=O)(=O)N[C@@H]2C=C[C@@H](C(=O)[O-])C2)c1	ZINC000290616809	353737827	/nfs/dbraw/zinc/73/78/27/353737827.db2.gz	JZDQWUPAHCYJPK-NXEZZACHSA-N	-1	0	293.304	0.261	20	30		CCEDRM
C[C@H]1[C@@H](C(=O)[O-])CCN1S(=O)(=O)c1cncc(C#N)c1	ZINC000290669236	353741550	/nfs/dbraw/zinc/74/15/50/353741550.db2.gz	OTJWZEZRESSXNZ-KWQFWETISA-N	-1	0	295.320	0.437	20	30		CCEDRM
CC(C)[C@@H](CNS(=O)(=O)c1cncc(C#N)c1)C(=O)[O-]	ZINC000290729076	353745071	/nfs/dbraw/zinc/74/50/71/353745071.db2.gz	VWVDOADXRRDXEP-LLVKDONJSA-N	-1	0	297.336	0.588	20	30		CCEDRM
CC[C@@H](C)N(CC(=O)[O-])S(=O)(=O)c1cncc(C#N)c1	ZINC000290751445	353747345	/nfs/dbraw/zinc/74/73/45/353747345.db2.gz	YGUHXLILAGPICJ-SECBINFHSA-N	-1	0	297.336	0.827	20	30		CCEDRM
C=CCOCCNC(=O)N1CC[C@@H](C(=O)[O-])[C@@H](C)C1	ZINC000302553773	354082574	/nfs/dbraw/zinc/08/25/74/354082574.db2.gz	WEGFXNSSOBCSDE-WDEREUQCSA-N	-1	0	270.329	0.941	20	30		CCEDRM
Cc1[nH]c(=O)c(C#N)c(C)c1CCC(=O)NC[C@H](C)CO	ZINC000305047534	354125873	/nfs/dbraw/zinc/12/58/73/354125873.db2.gz	BKWLTYGMORJHAR-VIFPVBQESA-N	-1	0	291.351	0.953	20	30		CCEDRM
Cc1ncc2n1CC[C@H](C(=O)N=c1[nH][n-]c(C)c1C#N)C2	ZINC000332229502	354632110	/nfs/dbraw/zinc/63/21/10/354632110.db2.gz	LSMHPCWOGUMALX-JTQLQIEISA-N	-1	0	284.323	0.718	20	30		CCEDRM
C[C@@H]1CCN(S(=O)(=O)c2ccc(C#N)o2)[C@H]1C(=O)[O-]	ZINC000558474075	291057660	/nfs/dbraw/zinc/05/76/60/291057660.db2.gz	JTCWSTJAXOFBRD-GMSGAONNSA-N	-1	0	284.293	0.635	20	30		CCEDRM
COC[C@H](C)[C@@H](C)C(=O)N=c1[n-]n(C)cc1C#N	ZINC000361919767	138038229	/nfs/dbraw/zinc/03/82/29/138038229.db2.gz	NXGCATLNCFQKPQ-DTWKUNHWSA-N	-1	0	250.302	0.571	20	30		CCEDRM
C=CCCn1cc(C(=O)N(CC(=O)[O-])C2CCC2)nn1	ZINC000655588129	412626049	/nfs/dbraw/zinc/62/60/49/412626049.db2.gz	ULKDFYOCZDZIBV-UHFFFAOYSA-N	-1	0	278.312	0.934	20	30		CCEDRM
N#CCc1cccc(S(=O)(=O)N2CCC[C@@H]2C(=O)[O-])c1	ZINC000619470860	366264535	/nfs/dbraw/zinc/26/45/35/366264535.db2.gz	CZEDAVWBBBUPBQ-GFCCVEGCSA-N	-1	0	294.332	0.990	20	30		CCEDRM
CNC(=O)c1c(C)[nH][nH]c1=NC(=O)c1ccc(C#N)c([O-])c1	ZINC000619619791	366303641	/nfs/dbraw/zinc/30/36/41/366303641.db2.gz	XRQPEUXWJJOUFG-UHFFFAOYSA-N	-1	0	299.290	0.329	20	30		CCEDRM
N#Cc1c(C2CC2)[n-][nH]c1=NC(=O)c1cnccn1	ZINC000359728695	356880098	/nfs/dbraw/zinc/88/00/98/356880098.db2.gz	ZGQCPUKHMVLFFI-UHFFFAOYSA-N	-1	0	254.253	0.623	20	30		CCEDRM
CN(Cc1cnccn1)C(=O)N=c1[n-]n(C)cc1C#N	ZINC000610528121	363572632	/nfs/dbraw/zinc/57/26/32/363572632.db2.gz	PAMKBQBXLRHUFK-UHFFFAOYSA-N	-1	0	271.284	0.168	20	30		CCEDRM
COc1cc(CNC(=O)N=c2[n-]n(C)cc2C#N)ccn1	ZINC000610527814	363572998	/nfs/dbraw/zinc/57/29/98/363572998.db2.gz	LZZBODPFWLBBMX-UHFFFAOYSA-N	-1	0	286.295	0.439	20	30		CCEDRM
C[C@@H](Cc1ccncc1)NC(=O)N=c1[n-]n(C)cc1C#N	ZINC000610560553	363575296	/nfs/dbraw/zinc/57/52/96/363575296.db2.gz	FZABUCZAPVRYCY-JTQLQIEISA-N	-1	0	284.323	0.861	20	30		CCEDRM
C[C@@H]1CN(C(=O)N=c2[n-]n(C)cc2C#N)CCCO1	ZINC000610562188	363575848	/nfs/dbraw/zinc/57/58/48/363575848.db2.gz	ZDBTZVYIDMRIFO-SECBINFHSA-N	-1	0	263.301	0.356	20	30		CCEDRM
Cn1cc(C#N)c(=NC(=O)N2CCC3(C2)CCOCC3)[n-]1	ZINC000610564967	363579044	/nfs/dbraw/zinc/57/90/44/363579044.db2.gz	XSQWBUDXSFPBJX-UHFFFAOYSA-N	-1	0	289.339	0.748	20	30		CCEDRM
CC(C)C[C@H](C#N)NC(=O)c1cnc([O-])n(C)c1=O	ZINC000610585319	363582255	/nfs/dbraw/zinc/58/22/55/363582255.db2.gz	ZDZBUPSFPWKPPR-MRVPVSSYSA-N	-1	0	264.285	0.154	20	30		CCEDRM
N#Cc1ccnc([N-]S(=O)(=O)c2cnc3n2CCC3)c1	ZINC000530546401	358407466	/nfs/dbraw/zinc/40/74/66/358407466.db2.gz	SYIMPDQPSFXQAM-UHFFFAOYSA-N	-1	0	289.320	0.897	20	30		CCEDRM
Cn1cc(C#N)c(=NC(=O)N2CCOC3(CCCC3)C2)[n-]1	ZINC000610821360	363617182	/nfs/dbraw/zinc/61/71/82/363617182.db2.gz	KXYBCDUTMMEAQG-UHFFFAOYSA-N	-1	0	289.339	0.891	20	30		CCEDRM
C=C[C@@H]1OCC[C@H]1CNC(=O)Cc1n[n-]c(=NC)s1	ZINC000574033647	359021888	/nfs/dbraw/zinc/02/18/88/359021888.db2.gz	QHKHPRQNGKZAGH-IUCAKERBSA-N	-1	0	282.369	0.252	20	30		CCEDRM
CNc1ccc(C#N)cc1NC(=O)c1n[nH]c(=O)[n-]c1=O	ZINC000586818333	359294797	/nfs/dbraw/zinc/29/47/97/359294797.db2.gz	YIHHPPGFXAWZFI-UHFFFAOYSA-N	-1	0	286.251	0.448	20	30		CCEDRM
CC(C)SCCNC(=O)N=c1[n-]n(C)cc1C#N	ZINC000588258779	359320124	/nfs/dbraw/zinc/32/01/24/359320124.db2.gz	IMUQNWMVFKAXSX-UHFFFAOYSA-N	-1	0	267.358	0.977	20	30		CCEDRM
Cc1[n-][nH]c(=NC(=O)c2cccc(-n3cnnn3)c2)c1C#N	ZINC000588718372	359333597	/nfs/dbraw/zinc/33/35/97/359333597.db2.gz	SNKBNUWAIWTODV-UHFFFAOYSA-N	-1	0	294.278	0.240	20	30		CCEDRM
CNc1ccc(C#N)cc1NC(=O)c1n[nH]c(=O)[n-]1	ZINC000588761914	359334992	/nfs/dbraw/zinc/33/49/92/359334992.db2.gz	FOXXZVUTKKZSAF-UHFFFAOYSA-N	-1	0	258.241	0.676	20	30		CCEDRM
CN1CCC[C@H]1C(=O)N=c1[nH][n-]c(C2CC2)c1C#N	ZINC000588767896	359336135	/nfs/dbraw/zinc/33/61/35/359336135.db2.gz	MPQZCHDGHXBXDX-JTQLQIEISA-N	-1	0	259.313	0.613	20	30		CCEDRM
N#Cc1ccccc1S(=O)(=O)N1C[C@H]2C[C@@]2(C(=O)[O-])C1	ZINC000589546184	359390744	/nfs/dbraw/zinc/39/07/44/359390744.db2.gz	FBSRYWULGOWISQ-ZWNOBZJWSA-N	-1	0	292.316	0.653	20	30		CCEDRM
N#CC1(CC(=O)N2CCC[C@H](c3nnn[n-]3)C2)CC1	ZINC000590312777	359438429	/nfs/dbraw/zinc/43/84/29/359438429.db2.gz	XLZJOVYQYJXTON-VIFPVBQESA-N	-1	0	260.301	0.600	20	30		CCEDRM
CC(C)(CO)O[N-]C(=O)COc1ccccc1C#N	ZINC000297252063	200125749	/nfs/dbraw/zinc/12/57/49/200125749.db2.gz	QKXJEMJYRXJEIP-UHFFFAOYSA-N	-1	0	264.281	0.756	20	30		CCEDRM
Cc1cncc(CNC(=O)N=c2[n-]n(C)cc2C#N)c1	ZINC000611169490	363669424	/nfs/dbraw/zinc/66/94/24/363669424.db2.gz	FFQZYNCLBQADCP-UHFFFAOYSA-N	-1	0	270.296	0.739	20	30		CCEDRM
N#Cc1nc(NC(=O)c2cnc3[nH]cnc3c2)[n-]c1C#N	ZINC000611200086	363678803	/nfs/dbraw/zinc/67/88/03/363678803.db2.gz	CFVPZFJFDWFKSP-UHFFFAOYSA-N	-1	0	278.235	0.677	20	30		CCEDRM
Cc1c(C#N)c(=NC(=O)[C@H](C)Oc2cccnc2)[n-]n1C	ZINC000592646540	359907806	/nfs/dbraw/zinc/90/78/06/359907806.db2.gz	PZTAJSSILKGNKB-JTQLQIEISA-N	-1	0	285.307	0.823	20	30		CCEDRM
Cc1c(C#N)c(=NC(=O)c2cc3n(n2)CCCC3)[n-]n1C	ZINC000592652375	359909540	/nfs/dbraw/zinc/90/95/40/359909540.db2.gz	YIWDXKATMVTAKN-UHFFFAOYSA-N	-1	0	284.323	0.807	20	30		CCEDRM
Cc1c(C#N)c(=NC(=O)[C@@H]2[C@@H]3CCCO[C@H]23)[n-]n1C	ZINC000592655905	359910685	/nfs/dbraw/zinc/91/06/85/359910685.db2.gz	ZBRKRZLZBBQPLC-GDPRMGEGSA-N	-1	0	260.297	0.386	20	30		CCEDRM
C[C@H]1C[C@@H](NC(=O)N=c2[n-]n(C)cc2C#N)CCO1	ZINC000611283191	363700931	/nfs/dbraw/zinc/70/09/31/363700931.db2.gz	LIUXTFNANAVGDR-WPRPVWTQSA-N	-1	0	263.301	0.403	20	30		CCEDRM
CCN(CCC#N)S(=O)(=O)N(CC(=O)[O-])CC1CC1	ZINC000593222626	360052721	/nfs/dbraw/zinc/05/27/21/360052721.db2.gz	PTVSMWRSROAALF-UHFFFAOYSA-N	-1	0	289.357	0.263	20	30		CCEDRM
C[C@@H]1CC[C@H](C(=O)[O-])N1S(=O)(=O)c1cccnc1C#N	ZINC000593221789	360052852	/nfs/dbraw/zinc/05/28/52/360052852.db2.gz	FRZOSDVGGMLIFB-PSASIEDQSA-N	-1	0	295.320	0.579	20	30		CCEDRM
Cc1cc2c(N=C([O-])[C@H](N)C(F)(F)F)n[nH]c2cc1C#N	ZINC000593916682	360211461	/nfs/dbraw/zinc/21/14/61/360211461.db2.gz	OVIXCODLPOPYAP-VIFPVBQESA-N	-1	0	297.240	0.993	20	30		CCEDRM
Cc1c(C#N)c(=NC(=O)c2ccc3c(n2)OCCO3)[n-]n1C	ZINC000594052422	360242060	/nfs/dbraw/zinc/24/20/60/360242060.db2.gz	HGIMSKVOXQNSKV-UHFFFAOYSA-N	-1	0	299.290	0.441	20	30		CCEDRM
C[C@@H](NC(=O)N=c1[n-]n(C)cc1C#N)[C@H]1CCCCO1	ZINC000611481073	363720754	/nfs/dbraw/zinc/72/07/54/363720754.db2.gz	VZXOUPMFXQWHCT-MWLCHTKSSA-N	-1	0	277.328	0.793	20	30		CCEDRM
C[C@H]1CCN(C(=O)N=c2[n-]n(C)cc2C#N)C[C@@H]1F	ZINC000611503772	363728128	/nfs/dbraw/zinc/72/81/28/363728128.db2.gz	IVEMQVADRAXALH-WPRPVWTQSA-N	-1	0	265.292	0.925	20	30		CCEDRM
CN(CCC#N)S(=O)(=O)N1CC2(C)CC1(C(=O)[O-])C2	ZINC000594674078	360358376	/nfs/dbraw/zinc/35/83/76/360358376.db2.gz	VKDRCBFQRLMVOV-UHFFFAOYSA-N	-1	0	287.341	0.016	20	30		CCEDRM
N#CC1(C(=O)NC[C@H](CC(=O)[O-])C2CC2)CCOCC1	ZINC000595251088	360458462	/nfs/dbraw/zinc/45/84/62/360458462.db2.gz	ODXIQFKBDMYAMI-NSHDSACASA-N	-1	0	280.324	0.924	20	30		CCEDRM
N#CCCCCNC(=O)C(=O)NC[C@@H](C(=O)[O-])C1CCC1	ZINC000596132107	360807144	/nfs/dbraw/zinc/80/71/44/360807144.db2.gz	GQRCKYFOZNMXHP-LLVKDONJSA-N	-1	0	295.339	0.414	20	30		CCEDRM
Cc1cc(C)n2[n-]c(=NC(=O)N3CC[C@@](C)(C#N)C3)nc2n1	ZINC000596486690	360907381	/nfs/dbraw/zinc/90/73/81/360907381.db2.gz	NYUVHTRWHUGUTN-AWEZNQCLSA-N	-1	0	299.338	0.931	20	30		CCEDRM
CSc1[n-]c(=O)c(C(=O)N2CCOCCN2)cc1C#N	ZINC000597708013	361204237	/nfs/dbraw/zinc/20/42/37/361204237.db2.gz	VVWYXANMUMCFET-UHFFFAOYSA-N	-1	0	294.336	0.358	20	30		CCEDRM
N#Cc1cc([N+](=O)[O-])ccc1NCCCc1nc(=O)[n-][nH]1	ZINC000301427707	201004738	/nfs/dbraw/zinc/00/47/38/201004738.db2.gz	IBFLRWUENAJNPH-UHFFFAOYSA-N	-1	0	288.267	0.923	20	30		CCEDRM
C[C@@H](C#N)N(C(=O)c1cnc([O-])n(C)c1=O)C1CC1	ZINC000598131417	361339748	/nfs/dbraw/zinc/33/97/48/361339748.db2.gz	LAFOUOIQYHURRD-ZETCQYMHSA-N	-1	0	262.269	0.003	20	30		CCEDRM
N#Cc1ccnc(NCCCc2nc(=O)[n-][nH]2)c1[N+](=O)[O-]	ZINC000301667837	201124724	/nfs/dbraw/zinc/12/47/24/201124724.db2.gz	PEDPEYQNVAPRHL-UHFFFAOYSA-N	-1	0	289.255	0.318	20	30		CCEDRM
CO[C@H](C(=O)N=c1[n-]n(C)c(C)c1C#N)C1CCC1	ZINC000598841065	361524850	/nfs/dbraw/zinc/52/48/50/361524850.db2.gz	DBVCCFYNNAQDPN-NSHDSACASA-N	-1	0	262.313	0.776	20	30		CCEDRM
C[C@H](C(=O)N=c1[nH][n-]cc1C#N)N(C)CC(F)(F)F	ZINC000598930746	361533033	/nfs/dbraw/zinc/53/30/33/361533033.db2.gz	JNSFCFQJDSOCFR-ZCFIWIBFSA-N	-1	0	275.234	0.524	20	30		CCEDRM
COC(=O)c1cc(S(=O)(=O)[N-]CCCC#N)on1	ZINC000599274885	361628298	/nfs/dbraw/zinc/62/82/98/361628298.db2.gz	GDJOQTQQRRBKJN-UHFFFAOYSA-N	-1	0	273.270	0.043	20	30		CCEDRM
CC[C@@H](CC#N)[N-]S(=O)(=O)c1nn(C)cc1[N+](=O)[O-]	ZINC000599277447	361630030	/nfs/dbraw/zinc/63/00/30/361630030.db2.gz	HSWQVYBZBNQJRL-ZETCQYMHSA-N	-1	0	287.301	0.299	20	30		CCEDRM
Cn1cc(C#N)c(=NC(=O)NCC[C@@H]2CCOC2)[n-]1	ZINC000612313508	363883296	/nfs/dbraw/zinc/88/32/96/363883296.db2.gz	MKFIAOGSHDXDRH-SECBINFHSA-N	-1	0	263.301	0.262	20	30		CCEDRM
Cn1cc(C#N)c(=NC(=O)NCCOCC2CCC2)[n-]1	ZINC000613205018	364157350	/nfs/dbraw/zinc/15/73/50/364157350.db2.gz	JMJKGWVJZWJXCQ-UHFFFAOYSA-N	-1	0	277.328	0.652	20	30		CCEDRM
N#Cc1nc(NC(=O)[C@@H]2CCc3nccn3C2)[n-]c1C#N	ZINC000615931269	365134621	/nfs/dbraw/zinc/13/46/21/365134621.db2.gz	FAQIXEGNJAAXPW-MRVPVSSYSA-N	-1	0	281.279	0.551	20	30		CCEDRM
COC[C@@H](C)S(=O)(=O)[N-]C(=O)CC(C)(C)C#N	ZINC000786418644	581440394	/nfs/dbraw/zinc/44/03/94/581440394.db2.gz	UWGLTIHHKTUZAT-MRVPVSSYSA-N	-1	0	262.331	0.407	20	30		CCEDRM
C=CC[C@@H]1CCN(C(=O)c2n[nH]c(=O)[n-]c2=O)C1	ZINC000628489970	369276728	/nfs/dbraw/zinc/27/67/28/369276728.db2.gz	LXJCSIIPKWDGOI-SSDOTTSWSA-N	-1	0	250.258	0.321	20	30		CCEDRM
C=CCOC[C@@H](NC(=O)[C@H]1CCc2cccnc21)C(=O)[O-]	ZINC000630186849	369995758	/nfs/dbraw/zinc/99/57/58/369995758.db2.gz	CMAJZEXBTZMCHT-NWDGAFQWSA-N	-1	0	290.319	0.883	20	30		CCEDRM
C=CCOC[C@@H](NC(=O)c1cnnc(C)c1)C(=O)[O-]	ZINC000630187577	369997183	/nfs/dbraw/zinc/99/71/83/369997183.db2.gz	QYPWOCOHEYREMX-SNVBAGLBSA-N	-1	0	265.269	0.171	20	30		CCEDRM
C=CCN(C(=O)[C@@H]1C[C@H](C)[C@@H](C(=O)[O-])O1)[C@@H](C)COC	ZINC000630206024	370006715	/nfs/dbraw/zinc/00/67/15/370006715.db2.gz	AIRNOHFVSAZJKV-BJDJZHNGSA-N	-1	0	285.340	0.914	20	30		CCEDRM
C=C(C)C[C@H](NC(=O)[C@@H]1CCCCS1(=O)=O)C(=O)[O-]	ZINC000630320101	370045923	/nfs/dbraw/zinc/04/59/23/370045923.db2.gz	OYYCLEQHALGBMH-UWVGGRQHSA-N	-1	0	289.353	0.489	20	30		CCEDRM
C=C(C)C[C@H](NC(=O)c1ccn2nnnc2c1)C(=O)[O-]	ZINC000630321328	370046985	/nfs/dbraw/zinc/04/69/85/370046985.db2.gz	HTQQXFHIEQPVOD-VIFPVBQESA-N	-1	0	275.268	0.274	20	30		CCEDRM
C=CCCOCC(=O)N1C[C@@H](C)O[C@H](C(=O)[O-])C1	ZINC000630260424	370027446	/nfs/dbraw/zinc/02/74/46/370027446.db2.gz	JOIMMBPSGHPQLE-ZJUUUORDSA-N	-1	0	257.286	0.280	20	30		CCEDRM
C=CCCOCC(=O)N1C[C@H](OC)C[C@@]1(C)C(=O)[O-]	ZINC000630308540	370040672	/nfs/dbraw/zinc/04/06/72/370040672.db2.gz	DXWKJWHZHOEQGD-MFKMUULPSA-N	-1	0	271.313	0.670	20	30		CCEDRM
C=C(C)C[C@H](NC(=O)c1cc(C)nn1C)C(=O)[O-]	ZINC000630316636	370044938	/nfs/dbraw/zinc/04/49/38/370044938.db2.gz	FUCMZJNHMBDOMT-VIFPVBQESA-N	-1	0	251.286	0.878	20	30		CCEDRM
C=CCCCS(=O)(=O)N[C@H](C(=O)[O-])[C@H]1CCCO1	ZINC000630423884	370109192	/nfs/dbraw/zinc/10/91/92/370109192.db2.gz	SQFBUBUCPYBUTQ-ZJUUUORDSA-N	-1	0	277.342	0.504	20	30		CCEDRM
C=C(C)C[C@@H](NS(=O)(=O)[C@@H]1CCOC1)C(=O)[O-]	ZINC000630438384	370116890	/nfs/dbraw/zinc/11/68/90/370116890.db2.gz	PBCPOPMWNCLRCP-RKDXNWHRSA-N	-1	0	263.315	0.114	20	30		CCEDRM
C=C(C)C[C@@H](NC(=O)N[C@@H](C)Cn1cccn1)C(=O)[O-]	ZINC000630471249	370128804	/nfs/dbraw/zinc/12/88/04/370128804.db2.gz	QDFMFOCNGHYBGH-WDEREUQCSA-N	-1	0	280.328	0.990	20	30		CCEDRM
C=C(C)C[C@H](NC(=O)NCCn1cccn1)C(=O)[O-]	ZINC000630471828	370129033	/nfs/dbraw/zinc/12/90/33/370129033.db2.gz	FKVRRGWFSNGZRJ-JTQLQIEISA-N	-1	0	266.301	0.602	20	30		CCEDRM
C=C(C)C[C@@H](NS(=O)(=O)C[C@@H](OC)C1CC1)C(=O)[O-]	ZINC000634654662	372127200	/nfs/dbraw/zinc/12/72/00/372127200.db2.gz	PPSOQSZTJQJBBO-GHMZBOCLSA-N	-1	0	291.369	0.750	20	30		CCEDRM
C=CCCC(C)(C)CNC(=O)C(=O)N=c1ncn(C)[n-]1	ZINC000635261046	372437679	/nfs/dbraw/zinc/43/76/79/372437679.db2.gz	UGEGQTSQVXFODT-UHFFFAOYSA-N	-1	0	279.344	0.284	20	30		CCEDRM
C=C[C@@H]1CCCCN1C(=O)NCCOCC(=O)[O-]	ZINC000635525176	372589060	/nfs/dbraw/zinc/58/90/60/372589060.db2.gz	WGIGTRHRNFJULK-SNVBAGLBSA-N	-1	0	256.302	0.838	20	30		CCEDRM
C=CCOCCCNS(=O)(=O)c1cc(C(=O)[O-])co1	ZINC000656723592	412847429	/nfs/dbraw/zinc/84/74/29/412847429.db2.gz	LUXOBPZFIBZKAK-UHFFFAOYSA-N	-1	0	289.309	0.849	20	30		CCEDRM
O=C(N=c1ncn(C2CCCCC2)[n-]1)NCC#CCO	ZINC000639967314	376160518	/nfs/dbraw/zinc/16/05/18/376160518.db2.gz	JXDXOIGHKWDIFZ-UHFFFAOYSA-N	-1	0	277.328	0.322	20	30		CCEDRM
N#Cc1ccc(C(=O)NCCCc2n[nH]c(=O)[n-]2)cc1	ZINC000080975108	284607443	/nfs/dbraw/zinc/60/74/43/284607443.db2.gz	SBMMDDLINWOJGD-UHFFFAOYSA-N	-1	0	271.280	0.332	20	30		CCEDRM
O=C([N-]S(=O)(=O)c1ccccc1F)[C@@H]1COCCO1	ZINC000048519205	388893214	/nfs/dbraw/zinc/89/32/14/388893214.db2.gz	KCOGBEAHYBAVNW-VIFPVBQESA-N	-1	0	289.284	0.886	20	30		CCEDRM
Cc1nn(C)c(C)c1C(=O)[N-]S(=O)(=O)c1cnn(C)c1	ZINC000048676205	388897939	/nfs/dbraw/zinc/89/79/39/388897939.db2.gz	HYXBWPRPCVTJIT-UHFFFAOYSA-N	-1	0	297.340	0.464	20	30		CCEDRM
C#CCO[N-]C(=O)[C@@H](CNC(=O)OC(C)(C)C)OC	ZINC000291257271	388919330	/nfs/dbraw/zinc/91/93/30/388919330.db2.gz	MOGZKCFGDDJYOA-SECBINFHSA-N	-1	0	272.301	0.207	20	30		CCEDRM
C[C@@H](CC#N)N(C)S(=O)(=O)N1CCC[C@H](C(=O)[O-])C1	ZINC000063088073	388941258	/nfs/dbraw/zinc/94/12/58/388941258.db2.gz	JNHYDKQYFYYHCQ-UWVGGRQHSA-N	-1	0	289.357	0.262	20	30		CCEDRM
C=CCN(CC(=O)[O-])S(=O)(=O)N1CCCC[C@H]1C	ZINC000092463902	389028436	/nfs/dbraw/zinc/02/84/36/389028436.db2.gz	DLRFCZWMOVSHGQ-SNVBAGLBSA-N	-1	0	276.358	0.678	20	30		CCEDRM
CC(C)(CCNC(=O)N1CCO[C@@H](C#N)C1)C(=O)[O-]	ZINC000306097375	389089669	/nfs/dbraw/zinc/08/96/69/389089669.db2.gz	NGMLRNQMDHMICL-VIFPVBQESA-N	-1	0	269.301	0.421	20	30		CCEDRM
N#Cc1c(F)cccc1C(=O)NCCc1n[n-]c(=N)o1	ZINC000355032698	389037277	/nfs/dbraw/zinc/03/72/77/389037277.db2.gz	LRAVGSWIYQYOJJ-UHFFFAOYSA-N	-1	0	275.243	0.465	20	30		CCEDRM
N#CCCCS(=O)(=O)N1CCC(c2n[nH]c(=O)[n-]2)CC1	ZINC000339109464	389125925	/nfs/dbraw/zinc/12/59/25/389125925.db2.gz	NBQOGPJUOWVDRE-UHFFFAOYSA-N	-1	0	299.356	0.323	20	30		CCEDRM
C=CCN=c1[n-]nc(S(=O)(=O)Cc2ncccn2)s1	ZINC000358704089	389158711	/nfs/dbraw/zinc/15/87/11/389158711.db2.gz	CMLLGWROGIOGFT-UHFFFAOYSA-N	-1	0	297.365	0.322	20	30		CCEDRM
C[C@@H](NS(=O)(=O)c1cccc(Cl)c1C#N)C(=O)[O-]	ZINC000340455065	389159651	/nfs/dbraw/zinc/15/96/51/389159651.db2.gz	QVJSVHFALAFVCZ-ZCFIWIBFSA-N	-1	0	288.712	0.963	20	30		CCEDRM
CCc1n[n-]c(=NC(=O)NCc2ccn(C)n2)s1	ZINC000330581790	389243294	/nfs/dbraw/zinc/24/32/94/389243294.db2.gz	UJZYNWVAZLZPEQ-UHFFFAOYSA-N	-1	0	266.330	0.782	20	30		CCEDRM
CCC[C@@H](NC(=O)c1cc(C#N)cn1C)c1nnn[n-]1	ZINC000136664534	389268036	/nfs/dbraw/zinc/26/80/36/389268036.db2.gz	QFACZPIDDRFVIQ-SECBINFHSA-N	-1	0	273.300	0.681	20	30		CCEDRM
CO[C@@H](C)CS(=O)(=O)[N-]c1ccn(CCC#N)n1	ZINC000330414419	389226814	/nfs/dbraw/zinc/22/68/14/389226814.db2.gz	MVRXZNYRNUTYSO-VIFPVBQESA-N	-1	0	272.330	0.573	20	30		CCEDRM
Cc1csc2ncc(/C([O-])=N/C[C@](C)(O)CO)c(=O)n12	ZINC000330445103	389230312	/nfs/dbraw/zinc/23/03/12/389230312.db2.gz	QXLMGIZUPOKIIE-LBPRGKRZSA-N	-1	0	297.336	0.112	20	30		CCEDRM
C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)[C@@H](C)C(=O)[O-]	ZINC000133163617	389231502	/nfs/dbraw/zinc/23/15/02/389231502.db2.gz	BDSPWSYENDRZTJ-RKDXNWHRSA-N	-1	0	282.321	0.946	20	30		CCEDRM
C=C[C@@H](C)NC(=O)N=c1nc2nc(C)cc(C)n2[n-]1	ZINC000362495002	389237409	/nfs/dbraw/zinc/23/74/09/389237409.db2.gz	SLVCCFBYVQMOMS-SSDOTTSWSA-N	-1	0	260.301	0.859	20	30		CCEDRM
Cc1ccc(C(=O)N2CCO[C@@H](c3nnn[n-]3)C2)cc1C#N	ZINC000367102148	389321129	/nfs/dbraw/zinc/32/11/29/389321129.db2.gz	VACKGWOVCVJEOW-GFCCVEGCSA-N	-1	0	298.306	0.594	20	30		CCEDRM
C=CCC[C@@H](NC(=O)c1cc(C)n(C)n1)C(=O)[O-]	ZINC000262856171	389296589	/nfs/dbraw/zinc/29/65/89/389296589.db2.gz	IGKOETTYPDUGII-SECBINFHSA-N	-1	0	251.286	0.878	20	30		CCEDRM
Cc1cc(C(=O)[N-]S(=O)(=O)C2CCC2)ncc1C#N	ZINC000408504468	389371738	/nfs/dbraw/zinc/37/17/38/389371738.db2.gz	VCJVSTSGYYNCMD-UHFFFAOYSA-N	-1	0	279.321	0.874	20	30		CCEDRM
C=CCS(=O)(=O)[N-]C(=O)[C@H]1CCC(=O)C[C@@H]1C	ZINC000408475582	389361841	/nfs/dbraw/zinc/36/18/41/389361841.db2.gz	FWLXPUVXCAUTOQ-WPRPVWTQSA-N	-1	0	259.327	0.624	20	30		CCEDRM
C=CCN(CC(=O)[O-])C(=O)[C@@H]1C[C@H]1c1cnn(C)c1	ZINC000372900683	389460424	/nfs/dbraw/zinc/46/04/24/389460424.db2.gz	GKTKGGFCEGKGPA-WDEREUQCSA-N	-1	0	263.297	0.623	20	30		CCEDRM
COc1ccc(CS(=O)(=O)c2n[nH]c(=O)[n-]2)cc1C#N	ZINC000350239102	389499618	/nfs/dbraw/zinc/49/96/18/389499618.db2.gz	GFUUYEYXONEAOQ-UHFFFAOYSA-N	-1	0	294.292	0.364	20	30		CCEDRM
C=CCN=c1[n-]nc(SCc2nc(=O)n(C)[nH]2)s1	ZINC000351627410	389638952	/nfs/dbraw/zinc/63/89/52/389638952.db2.gz	JENRRGSFUCGMNU-UHFFFAOYSA-N	-1	0	284.370	0.272	20	30		CCEDRM
C=CCCn1cc(C(=O)NC[C@H](C)C(=O)[O-])nn1	ZINC000425238209	389643243	/nfs/dbraw/zinc/64/32/43/389643243.db2.gz	IMDVQOGAFCXTAU-QMMMGPOBSA-N	-1	0	252.274	0.305	20	30		CCEDRM
CCn1ncc(C#N)c1[N-]S(=O)(=O)c1c(C)cnn1C	ZINC000351347411	389575625	/nfs/dbraw/zinc/57/56/25/389575625.db2.gz	AUYCMZDRFIMYLM-UHFFFAOYSA-N	-1	0	294.340	0.617	20	30		CCEDRM
CCNC(=O)[C@H](C#N)Cn1[n-]c(C(F)(F)F)cc1=O	ZINC000181293574	389684183	/nfs/dbraw/zinc/68/41/83/389684183.db2.gz	CFNIQPFTMDSAPT-ZCFIWIBFSA-N	-1	0	276.218	0.883	20	30		CCEDRM
C=CCNC(=O)CNC(=O)c1cccc([N+](=O)[O-])c1[O-]	ZINC000181669906	389690302	/nfs/dbraw/zinc/69/03/02/389690302.db2.gz	XTOZROGPDWNFPM-UHFFFAOYSA-N	-1	0	279.252	0.332	20	30		CCEDRM
N#CCCCS(=O)(=O)N1C[C@@H]2CCC[C@@H]2[C@@H]1C(=O)[O-]	ZINC000376273039	389731966	/nfs/dbraw/zinc/73/19/66/389731966.db2.gz	ARMZOSSAXTVPSL-GARJFASQSA-N	-1	0	286.353	0.805	20	30		CCEDRM
Cc1[n-][nH]c(=NC(=O)c2cn(CCC(C)C)nn2)c1C#N	ZINC000431668556	389864104	/nfs/dbraw/zinc/86/41/04/389864104.db2.gz	ZHXYLYAKUNNYML-UHFFFAOYSA-N	-1	0	287.327	0.902	20	30		CCEDRM
Cc1[n-][nH]c(=NC(=O)c2cccc3c2OCC(=O)N3)c1C#N	ZINC000431703717	389864557	/nfs/dbraw/zinc/86/45/57/389864557.db2.gz	INSCKHSTSAVFBC-UHFFFAOYSA-N	-1	0	297.274	0.595	20	30		CCEDRM
CN(Cc1cccc(C#N)c1)C(=O)c1cnc([O-])n(C)c1=O	ZINC000435231220	389953846	/nfs/dbraw/zinc/95/38/46/389953846.db2.gz	TYTBYMPIYYIZKL-UHFFFAOYSA-N	-1	0	298.302	0.630	20	30		CCEDRM
N#Cc1ncn(CCNC(=O)c2ccc([O-])c(Cl)c2)n1	ZINC000436655063	389981668	/nfs/dbraw/zinc/98/16/68/389981668.db2.gz	HPBIIRKPULXGBG-UHFFFAOYSA-N	-1	0	291.698	0.939	20	30		CCEDRM
C=CCCC[C@H](C)NC(=O)C(=O)N(C)CCC(=O)[O-]	ZINC000420549592	390011574	/nfs/dbraw/zinc/01/15/74/390011574.db2.gz	DOALVJGDTMROJU-JTQLQIEISA-N	-1	0	270.329	0.781	20	30		CCEDRM
C=CCn1cc(C(=O)N[C@@H](C(=O)[O-])C(C)C)nn1	ZINC000647727099	390147399	/nfs/dbraw/zinc/14/73/99/390147399.db2.gz	IVVVWDZIYNZVER-SECBINFHSA-N	-1	0	252.274	0.303	20	30		CCEDRM
COC(=O)c1cncc(C(=O)Nc2nc(C#N)c(C#N)[n-]2)c1	ZINC000539160493	390201710	/nfs/dbraw/zinc/20/17/10/390201710.db2.gz	HUPBAIOXIDFMPI-UHFFFAOYSA-N	-1	0	296.246	0.587	20	30		CCEDRM
CC(C)(C)OC(=O)NCC1(C=Nn2c(=O)[n-][nH]c2=O)CC1	ZINC000495878274	390260580	/nfs/dbraw/zinc/26/05/80/390260580.db2.gz	SGLHZWXGLHDGHH-UHFFFAOYSA-N	-1	0	297.315	0.828	20	30		CCEDRM
C=CCn1cc(CNC(=O)c2[nH]nc(C)c2[O-])nn1	ZINC000644785860	390313617	/nfs/dbraw/zinc/31/36/17/390313617.db2.gz	AGCMWMCFWVYGIZ-UHFFFAOYSA-N	-1	0	262.273	0.131	20	30		CCEDRM
C=CCO[N-]C(=O)[C@H](CNC(=O)OC(C)(C)C)OC	ZINC000496424044	390352005	/nfs/dbraw/zinc/35/20/05/390352005.db2.gz	JGEIUHPMNVVMEP-VIFPVBQESA-N	-1	0	274.317	0.760	20	30		CCEDRM
CC#CC[C@@H](CO)N=c1nc([C@@H](C)OC)[n-]s1	ZINC000645407327	390422338	/nfs/dbraw/zinc/42/23/38/390422338.db2.gz	SBZRDJOYJGOFRV-BDAKNGLRSA-N	-1	0	255.343	0.854	20	30		CCEDRM
CC(=O)c1cc(C(=O)N=c2[n-]n(C)c(C)c2C#N)n(C)c1	ZINC000648433821	390372357	/nfs/dbraw/zinc/37/23/57/390372357.db2.gz	PTPJBUXWFHTKJL-UHFFFAOYSA-N	-1	0	285.307	0.816	20	30		CCEDRM
C=C(C)CS(=O)(=O)N(CCOC)[C@@H](C)C(=O)[O-]	ZINC000565053501	390499429	/nfs/dbraw/zinc/49/94/29/390499429.db2.gz	CNKDTPPYNYQLPT-VIFPVBQESA-N	-1	0	265.331	0.314	20	30		CCEDRM
C[C@@H](NS(=O)(=O)CC1(CC#N)CC1)[C@@H](C)C(=O)[O-]	ZINC000565056731	390499700	/nfs/dbraw/zinc/49/97/00/390499700.db2.gz	ZVXHLXNFDHSNGB-RKDXNWHRSA-N	-1	0	274.342	0.709	20	30		CCEDRM
C=CCC[C@H](NS(=O)(=O)[C@H]1CCO[C@@H]1C)C(=O)[O-]	ZINC000646044642	390583147	/nfs/dbraw/zinc/58/31/47/390583147.db2.gz	NGKPBSJACDZWGG-UTLUCORTSA-N	-1	0	277.342	0.503	20	30		CCEDRM
C=CCn1cc(C(=O)N(C[C@@H](C)C(=O)[O-])C2CC2)nn1	ZINC000649247308	390536254	/nfs/dbraw/zinc/53/62/54/390536254.db2.gz	KTRJICGOZNRIOH-SECBINFHSA-N	-1	0	278.312	0.789	20	30		CCEDRM
C=C[C@@H]1OCC[C@H]1CNC(=O)C1(C(=O)[O-])CCC1	ZINC000566287506	390595980	/nfs/dbraw/zinc/59/59/80/390595980.db2.gz	GBEUUNGRQVRLOE-UWVGGRQHSA-N	-1	0	253.298	0.949	20	30		CCEDRM
C=CCOC[C@H](NC(=O)C[C@H](C)n1ccnc1)C(=O)[O-]	ZINC000566345921	390596477	/nfs/dbraw/zinc/59/64/77/390596477.db2.gz	ZIWUNTVCEGJJAI-QWRGUYRKSA-N	-1	0	281.312	0.606	20	30		CCEDRM
C=CCCS(=O)(=O)N1CCC[C@]1(COC)C(=O)[O-]	ZINC000643971991	390612257	/nfs/dbraw/zinc/61/22/57/390612257.db2.gz	HSVIRLYMDMZZPC-NSHDSACASA-N	-1	0	277.342	0.458	20	30		CCEDRM
CC(C)[C@H](C(=O)[O-])[C@H](C)NS(=O)(=O)CCCC#N	ZINC000568384532	390713856	/nfs/dbraw/zinc/71/38/56/390713856.db2.gz	LSBBADWXXDFYEL-UWVGGRQHSA-N	-1	0	276.358	0.955	20	30		CCEDRM
C=CCS(=O)(=O)[N-]C(=O)[C@H]1[C@@H](C)[C@@H](C)O[C@H]1C	ZINC000528974650	390785979	/nfs/dbraw/zinc/78/59/79/390785979.db2.gz	XVXMVGFDCYXMEP-JXUBOQSCSA-N	-1	0	261.343	0.678	20	30		CCEDRM
C=CCNc1ncc(C(=O)N[C@@H](CC)C(=O)[O-])s1	ZINC000647257100	390799984	/nfs/dbraw/zinc/79/99/84/390799984.db2.gz	QRXWDODKXXMPRF-ZETCQYMHSA-N	-1	0	269.326	0.756	20	30		CCEDRM
C=CCCCS(=O)(=O)N1CC[C@@](OC)(C(=O)[O-])C1	ZINC000530149345	390875454	/nfs/dbraw/zinc/87/54/54/390875454.db2.gz	BDOMUPDNJBNVPQ-NSHDSACASA-N	-1	0	277.342	0.458	20	30		CCEDRM
COc1ccc(=NC(=O)NC[C@]2(O)CCSC2)[n-]n1	ZINC000330011064	533253208	/nfs/dbraw/zinc/25/32/08/533253208.db2.gz	IMGKWNLNCWLBTH-LLVKDONJSA-N	-1	0	284.341	0.101	20	30		CCEDRM
C[C@@H](CC#N)N(C)S(=O)(=O)NCCCCC(=O)[O-]	ZINC000578873463	390905391	/nfs/dbraw/zinc/90/53/91/390905391.db2.gz	UZERVORHJLJRIG-VIFPVBQESA-N	-1	0	277.346	0.310	20	30		CCEDRM
Cc1cccc(S(=O)(=O)N(C)CC(=O)[O-])c1C#N	ZINC000261697545	131162930	/nfs/dbraw/zinc/16/29/30/131162930.db2.gz	CLVZOTOJQNBUNP-UHFFFAOYSA-N	-1	0	268.294	0.572	20	30		CCEDRM
CS(=O)(=O)C1(C(=O)N=c2[nH][n-]c(C3CC3)c2C#N)CC1	ZINC000356498544	144007728	/nfs/dbraw/zinc/00/77/28/144007728.db2.gz	LCGWDTDLSSMDDY-UHFFFAOYSA-N	-1	0	294.336	0.096	20	30		CCEDRM
Cc1[n-][nH]c(=NC(=O)[C@@H]2CCC(=O)[C@H](C)C2)c1C#N	ZINC000357262445	144076163	/nfs/dbraw/zinc/07/61/63/144076163.db2.gz	SDIQNBTYJXMRIN-VXNVDRBHSA-N	-1	0	260.297	0.956	20	30		CCEDRM
CC(C)n1cc(C#N)c(=NC(=O)C(=O)NC2CC(C)C2)[n-]1	ZINC000359242913	144205047	/nfs/dbraw/zinc/20/50/47/144205047.db2.gz	VUMNUTWJXFQPFJ-UHFFFAOYSA-N	-1	0	289.339	0.611	20	30		CCEDRM
C=C[C@H](CCC(=O)[O-])NS(=O)(=O)[C@@H]1CCO[C@@H](C)C1	ZINC000650421428	397718041	/nfs/dbraw/zinc/71/80/41/397718041.db2.gz	DFPHJMQJKYGTSZ-HBNTYKKESA-N	-1	0	291.369	0.893	20	30		CCEDRM
C=CCCS(=O)(=O)NC[C@@H](CC1CC1)C(=O)[O-]	ZINC000650430913	397719089	/nfs/dbraw/zinc/71/90/89/397719089.db2.gz	BBEWOJWIWJHINZ-SNVBAGLBSA-N	-1	0	261.343	0.983	20	30		CCEDRM
C=CCOC[C@H](NC(=O)c1cncc(COC)c1)C(=O)[O-]	ZINC000659158034	413317370	/nfs/dbraw/zinc/31/73/70/413317370.db2.gz	ZSLUYKXXLIRFKI-LBPRGKRZSA-N	-1	0	294.307	0.614	20	30		CCEDRM
C=CCOC[C@@H](NC(=O)Cc1occc1C)C(=O)[O-]	ZINC000659156505	413318494	/nfs/dbraw/zinc/31/84/94/413318494.db2.gz	LQJQTJHXXWHIDY-SNVBAGLBSA-N	-1	0	267.281	0.903	20	30		CCEDRM
C=C(C)CN(CC)C(=O)C(=O)N=c1ncn(C(C)C)[n-]1	ZINC000651649172	411912298	/nfs/dbraw/zinc/91/22/98/411912298.db2.gz	WQJUJZBRMPGTDW-UHFFFAOYSA-N	-1	0	279.344	0.644	20	30		CCEDRM
C[C@@H](NS(=O)(=O)Cc1ccc(C#N)cc1)C(=O)[O-]	ZINC000021516631	171312836	/nfs/dbraw/zinc/31/28/36/171312836.db2.gz	UHQNLQRDBMCIRX-MRVPVSSYSA-N	-1	0	268.294	0.451	20	30		CCEDRM
C=CCNC(=O)CNC(=O)[C@]1(C(=O)[O-])CC=CCC1	ZINC000653285973	412281013	/nfs/dbraw/zinc/28/10/13/412281013.db2.gz	CZPSRCGASDQEDW-ZDUSSCGKSA-N	-1	0	266.297	0.216	20	30		CCEDRM
C=C[C@H](CCC(=O)[O-])NS(=O)(=O)N(C)C1CC1	ZINC000654787542	412439175	/nfs/dbraw/zinc/43/91/75/412439175.db2.gz	CCDDDZLLBHQAFO-MRVPVSSYSA-N	-1	0	262.331	0.334	20	30		CCEDRM
C=C(C)[C@@H]1OCC[C@H]1CNC(=O)N1CCOC[C@@H]1C(=O)[O-]	ZINC000654820093	412441546	/nfs/dbraw/zinc/44/15/46/412441546.db2.gz	SWNGHQHYONNHRF-TUAOUCFPSA-N	-1	0	298.339	0.463	20	30		CCEDRM
N#Cc1ccc(CNS(=O)(=O)CCCC(=O)[O-])cc1	ZINC000037748236	173670142	/nfs/dbraw/zinc/67/01/42/173670142.db2.gz	CPTYNBZEQAPYIZ-UHFFFAOYSA-N	-1	0	282.321	0.842	20	30		CCEDRM
C=CC[C@H]1CCCN(C(=O)C(=O)N(C)C[C@@H](C)C(=O)[O-])C1	ZINC000662914699	414889227	/nfs/dbraw/zinc/88/92/27/414889227.db2.gz	UFQASQYUAPPZKQ-NEPJUHHUSA-N	-1	0	296.367	0.980	20	30		CCEDRM
CCN(CC(=O)[O-])S(=O)(=O)c1ccc(F)c(C#N)c1	ZINC000071238558	176093675	/nfs/dbraw/zinc/09/36/75/176093675.db2.gz	GUHSAOIZFHHADA-UHFFFAOYSA-N	-1	0	286.284	0.793	20	30		CCEDRM
Cn1cc(S(=O)(=O)[N-]c2ccn(CCC#N)n2)cn1	ZINC000344349327	225039132	/nfs/dbraw/zinc/03/91/32/225039132.db2.gz	HCTYUUMJLNJIRQ-UHFFFAOYSA-N	-1	0	280.313	0.331	20	30		CCEDRM
N#C[C@H]1CN(C(=O)N=c2ccc(C3CC3)n[n-]2)CCO1	ZINC000333253433	228194793	/nfs/dbraw/zinc/19/47/93/228194793.db2.gz	YXOSHMQQBIQAAF-JTQLQIEISA-N	-1	0	273.296	0.532	20	30		CCEDRM
C=CC[C@H](NS(=O)(=O)N1CCC[C@@H](C)C1)C(=O)[O-]	ZINC000161294666	544705661	/nfs/dbraw/zinc/70/56/61/544705661.db2.gz	JQWZHQKBAWUFQI-ZJUUUORDSA-N	-1	0	276.358	0.582	20	30		CCEDRM
C=CCOCCNS(=O)(=O)c1cccc(C(=O)[O-])c1	ZINC000302350173	544981730	/nfs/dbraw/zinc/98/17/30/544981730.db2.gz	IRMHCWAGNKGPJX-UHFFFAOYSA-N	-1	0	285.321	0.866	20	30		CCEDRM
C=C(C)CS(=O)(=O)N[C@H](Cc1ccc(O)cc1)C(=O)[O-]	ZINC000517748526	260041116	/nfs/dbraw/zinc/04/11/16/260041116.db2.gz	WVJNAKREDPDATB-GFCCVEGCSA-N	-1	0	299.348	0.883	20	30		CCEDRM
C=C(C)[C@@H](CC(=O)N1CCO[C@H](c2nnn[n-]2)C1)OCC	ZINC000363443601	260260430	/nfs/dbraw/zinc/26/04/30/260260430.db2.gz	XDJJDPSJJLQZJG-MNOVXSKESA-N	-1	0	295.343	0.471	20	30		CCEDRM
C=CCNc1ncc(C(=O)N(C)[C@@H](C)C(=O)[O-])s1	ZINC000518374946	260389648	/nfs/dbraw/zinc/38/96/48/260389648.db2.gz	JZVCYKSXUYZLDT-ZETCQYMHSA-N	-1	0	269.326	0.708	20	30		CCEDRM
N#C[C@H]1CN(Cc2nc(=O)c3sccc3[n-]2)CCO1	ZINC000107306940	261377482	/nfs/dbraw/zinc/37/74/82/261377482.db2.gz	LUDBRUQUGLSNGJ-QMMMGPOBSA-N	-1	0	276.321	0.709	20	30		CCEDRM
C=CCCO[C@@H](C)C(=O)N1CCO[C@@H](c2nnn[n-]2)C1	ZINC000364530537	262253041	/nfs/dbraw/zinc/25/30/41/262253041.db2.gz	YXZPBYLNBCVNOR-VHSXEESVSA-N	-1	0	281.316	0.081	20	30		CCEDRM
N#CCCCS(=O)(=O)N(CC(=O)[O-])CC(F)(F)F	ZINC000275388315	263033129	/nfs/dbraw/zinc/03/31/29/263033129.db2.gz	YCICGDUBMKJZFO-UHFFFAOYSA-N	-1	0	288.247	0.569	20	30		CCEDRM
C=C[C@@H](C)NC(=O)C(=O)N=c1[n-]nc(C(C)(C)C)s1	ZINC000340824181	263307733	/nfs/dbraw/zinc/30/77/33/263307733.db2.gz	UAPCAQMPTKNXLM-SSDOTTSWSA-N	-1	0	282.369	0.887	20	30		CCEDRM
C[C@@H](NC(=O)c1cccn2c([O-])nnc12)[C@H](C)CO	ZINC000330748613	264029393	/nfs/dbraw/zinc/02/93/93/264029393.db2.gz	ALSIMBSGOZXZCQ-HTQZYQBOSA-N	-1	0	264.285	0.756	20	30		CCEDRM
C[C@H](/N=C(/[O-])Nc1cccn(C)c1=O)C(=O)N(C)C	ZINC000331172486	264146447	/nfs/dbraw/zinc/14/64/47/264146447.db2.gz	OJWOWRDVWRHMES-QMMMGPOBSA-N	-1	0	266.301	0.188	20	30		CCEDRM
CS(=O)(=O)CCCNC(=O)N=c1cn[n-]s1	ZINC000331180639	264154895	/nfs/dbraw/zinc/15/48/95/264154895.db2.gz	RHTYHUBROAGEQQ-UHFFFAOYSA-N	-1	0	264.332	0.299	20	30		CCEDRM
CCNC(=O)[C@H](C)/N=C(/[O-])Nc1cccn(C)c1=O	ZINC000331256927	264183434	/nfs/dbraw/zinc/18/34/34/264183434.db2.gz	WWOVFGATCJUSRO-QMMMGPOBSA-N	-1	0	266.301	0.236	20	30		CCEDRM
CCN(CCC#N)S(=O)(=O)[N-]CC(F)(F)F	ZINC000126927863	264238533	/nfs/dbraw/zinc/23/85/33/264238533.db2.gz	LSXAAOKMYHQQDI-UHFFFAOYSA-N	-1	0	259.253	0.619	20	30		CCEDRM
C[C@@H](CN(C)S(=O)(=O)CC1(C#N)CCC1)C(=O)[O-]	ZINC000417447540	264281590	/nfs/dbraw/zinc/28/15/90/264281590.db2.gz	QCJKAGLZBLRYKV-VIFPVBQESA-N	-1	0	274.342	0.663	20	30		CCEDRM
C=CCC(C)(C)CNC(=O)CSc1n[nH]c(=O)[n-]1	ZINC000293770323	264978140	/nfs/dbraw/zinc/97/81/40/264978140.db2.gz	MQTJIOUUFHKKOR-UHFFFAOYSA-N	-1	0	270.358	0.909	20	30		CCEDRM
C=C[C@H](CO)N=c1ccc(C(=O)NC2CCCC2)n[n-]1	ZINC000357590341	266331745	/nfs/dbraw/zinc/33/17/45/266331745.db2.gz	FIMSOGPHTXOAGF-SNVBAGLBSA-N	-1	0	276.340	0.530	20	30		CCEDRM
COc1ccc(=NC(=O)N[C@H]2CCc3c[nH]nc3C2)[n-]n1	ZINC000329019744	295064653	/nfs/dbraw/zinc/06/46/53/295064653.db2.gz	HMBZKVLCNAGGKI-VIFPVBQESA-N	-1	0	288.311	0.514	20	30		CCEDRM
C=CC[C@H](CC)NC(=O)N1CCO[C@@H](C(=O)[O-])C1	ZINC000393769046	545087733	/nfs/dbraw/zinc/08/77/33/545087733.db2.gz	WDJUNNVOXJXJCN-VHSXEESVSA-N	-1	0	256.302	0.836	20	30		CCEDRM
C=C(C)CS(=O)(=O)N1C[C@H](OC)C[C@H]1CC(=O)[O-]	ZINC000580188079	327725512	/nfs/dbraw/zinc/72/55/12/327725512.db2.gz	MTJJQKJQQWHKBD-VHSXEESVSA-N	-1	0	277.342	0.456	20	30		CCEDRM
C=CCC[C@@H](NC(=O)c1ccn(CCOC)n1)C(=O)[O-]	ZINC000580330425	327836818	/nfs/dbraw/zinc/83/68/18/327836818.db2.gz	JXYBKQNBPSWHMM-LLVKDONJSA-N	-1	0	281.312	0.679	20	30		CCEDRM
CCN(CCC#N)C(=O)Cn1nc(SC)[n-]c1=O	ZINC000188166218	327881978	/nfs/dbraw/zinc/88/19/78/327881978.db2.gz	UTAPHMBXWWIWOH-UHFFFAOYSA-N	-1	0	269.330	0.055	20	30		CCEDRM
CC1CC(C#N)(C(=O)Nc2n[nH]c(SCCO)n2)C1	ZINC000534278992	328043494	/nfs/dbraw/zinc/04/34/94/328043494.db2.gz	KDQZQBHBOHHPPF-UHFFFAOYSA-N	-1	0	281.341	0.767	20	30		CCEDRM
C=CCCS(=O)(=O)N[C@@H](C(=O)[O-])c1cnn(C)c1C	ZINC000530488755	326817876	/nfs/dbraw/zinc/81/78/76/326817876.db2.gz	UNPHSJLSLOEOHO-SNVBAGLBSA-N	-1	0	287.341	0.350	20	30		CCEDRM
N#CC1(CS(=O)(=O)NC2(C(=O)[O-])CC2)CCCC1	ZINC000558591248	327107788	/nfs/dbraw/zinc/10/77/88/327107788.db2.gz	UNKVKAQEJPOQMU-UHFFFAOYSA-N	-1	0	272.326	0.607	20	30		CCEDRM
C=CCC[C@H](NS(=O)(=O)c1ccco1)C(=O)[O-]	ZINC000558735646	327117817	/nfs/dbraw/zinc/11/78/17/327117817.db2.gz	AHIAHDBKMVSOMG-QMMMGPOBSA-N	-1	0	259.283	0.977	20	30		CCEDRM
C=CCC[C@H](NS(=O)(=O)C[C@@H]1CCCCO1)C(=O)[O-]	ZINC000574133326	327291843	/nfs/dbraw/zinc/29/18/43/327291843.db2.gz	AHKBEXVIAASFOR-QWRGUYRKSA-N	-1	0	291.369	0.894	20	30		CCEDRM
CCOC(=O)c1cc(=NC(=O)[C@](C)(C#N)CC)[nH][n-]1	ZINC000560631123	327332097	/nfs/dbraw/zinc/33/20/97/327332097.db2.gz	BPYFDSZMIZVWCY-LBPRGKRZSA-N	-1	0	264.285	0.887	20	30		CCEDRM
C=CCC[C@@H](NS(=O)(=O)N(C)[C@@H](C)C1CC1)C(=O)[O-]	ZINC000562321074	327468803	/nfs/dbraw/zinc/46/88/03/327468803.db2.gz	CYZXFXHSIXEOBI-GXSJLCMTSA-N	-1	0	290.385	0.971	20	30		CCEDRM
C=C[C@@H]1OCC[C@H]1NC(=O)N=c1ncn(C(C)(C)C)[n-]1	ZINC000562884142	327522068	/nfs/dbraw/zinc/52/20/68/327522068.db2.gz	BGTLXPVJMNZLBP-ZJUUUORDSA-N	-1	0	279.344	0.920	20	30		CCEDRM
C=CCC[C@@H](NC(=O)NCc1cc[nH]n1)C(=O)[O-]	ZINC000570045728	327565577	/nfs/dbraw/zinc/56/55/77/327565577.db2.gz	LTRXBPISQPTEJI-SECBINFHSA-N	-1	0	252.274	0.628	20	30		CCEDRM
C=CCOC[C@H](NC(=O)N[C@@H]1C[C@H]2OCCC[C@@H]12)C(=O)[O-]	ZINC000570172466	327573875	/nfs/dbraw/zinc/57/38/75/327573875.db2.gz	YSQXMDIQFLZNCV-WHOHXGKFSA-N	-1	0	298.339	0.509	20	30		CCEDRM
C=C[C@@H](CCC(=O)[O-])NS(=O)(=O)c1ccc(C#N)nc1	ZINC000583737497	329476352	/nfs/dbraw/zinc/47/63/52/329476352.db2.gz	CRYFNHGGCKEDTB-VIFPVBQESA-N	-1	0	295.320	0.651	20	30		CCEDRM
C=CCCn1cc(C(=O)N[C@H](C)CCC(=O)[O-])nn1	ZINC000425239172	329646628	/nfs/dbraw/zinc/64/66/28/329646628.db2.gz	KGJPCFSSFRRCSS-SECBINFHSA-N	-1	0	266.301	0.837	20	30		CCEDRM
C[C@H](CC#N)N(C)S(=O)(=O)N(C)C[C@H](C)C(=O)[O-]	ZINC000571926694	329929921	/nfs/dbraw/zinc/92/99/21/329929921.db2.gz	BKJJUSNCQJIIGK-DTWKUNHWSA-N	-1	0	277.346	0.118	20	30		CCEDRM
C=CCOCC(=O)N1C[C@@H](C(=O)[O-])[C@H](C(F)(F)F)C1	ZINC000262237025	330002261	/nfs/dbraw/zinc/00/22/61/330002261.db2.gz	KREOUVGZNSKCGG-HTQZYQBOSA-N	-1	0	281.230	0.911	20	30		CCEDRM
C[C@]1(C(=O)[O-])CCN(S(=O)(=O)CCCCC#N)C1	ZINC000262392117	330012394	/nfs/dbraw/zinc/01/23/94/330012394.db2.gz	IRAVXMLUEOLGLH-NSHDSACASA-N	-1	0	274.342	0.807	20	30		CCEDRM
C=CCC[C@@H](NC(=O)CCCC(=O)NCC)C(=O)[O-]	ZINC000262786306	330031307	/nfs/dbraw/zinc/03/13/07/330031307.db2.gz	BMRYCPWAQFGPCW-SNVBAGLBSA-N	-1	0	270.329	0.828	20	30		CCEDRM
C=CCOC[C@@H](NC(=O)C[C@@H]1CCCCO1)C(=O)[O-]	ZINC000262878816	330036049	/nfs/dbraw/zinc/03/60/49/330036049.db2.gz	BYLQOUXIGNBMTR-WDEREUQCSA-N	-1	0	271.313	0.718	20	30		CCEDRM
C=CCOC[C@@H](NC(=O)c1occc1C)C(=O)[O-]	ZINC000262938855	330037375	/nfs/dbraw/zinc/03/73/75/330037375.db2.gz	HPIXDCVIUZQKHM-SECBINFHSA-N	-1	0	253.254	0.974	20	30		CCEDRM
C=C[C@@H]1OCC[C@H]1NC(=O)N(C)C[C@@H](C)C(=O)[O-]	ZINC000263330008	330052419	/nfs/dbraw/zinc/05/24/19/330052419.db2.gz	CDCGVDNYGRDHMX-BBBLOLIVSA-N	-1	0	256.302	0.692	20	30		CCEDRM
C#C[C@@H](NC(=O)NCCCC(=O)[O-])[C@H]1CCCO1	ZINC000263333479	330052503	/nfs/dbraw/zinc/05/25/03/330052503.db2.gz	CWIWGAPUUFIUHC-NXEZZACHSA-N	-1	0	254.286	0.331	20	30		CCEDRM
C#CCOc1ccc(CNC(=O)NCCC(=O)[O-])cc1	ZINC000263345298	330052638	/nfs/dbraw/zinc/05/26/38/330052638.db2.gz	GLHALKKITDOAME-UHFFFAOYSA-N	-1	0	276.292	0.973	20	30		CCEDRM
C=C[C@@H]1OCC[C@H]1NC(=O)N1CC[C@H](C(=O)[O-])C1	ZINC000263422827	330055056	/nfs/dbraw/zinc/05/50/56/330055056.db2.gz	XGCLORUPUXWIAU-AEJSXWLSSA-N	-1	0	254.286	0.446	20	30		CCEDRM
CCCC[C@H](NS(=O)(=O)N(C)C[C@@H](C)C#N)C(=O)[O-]	ZINC000263454461	330056746	/nfs/dbraw/zinc/05/67/46/330056746.db2.gz	BOILAXJUKYKDHQ-UWVGGRQHSA-N	-1	0	291.373	0.556	20	30		CCEDRM
C#CCNC(=O)c1ccc(N2CC[C@@H](C(=O)[O-])C2)nc1	ZINC000263521864	330058840	/nfs/dbraw/zinc/05/88/40/330058840.db2.gz	RHLATUTUZPFZNT-LLVKDONJSA-N	-1	0	273.292	0.356	20	30		CCEDRM
CC[C@H](C(=O)[O-])N(C)S(=O)(=O)N(C)[C@H](C)CC#N	ZINC000574992708	330125179	/nfs/dbraw/zinc/12/51/79/330125179.db2.gz	VMNPZOHTLPIZDL-RKDXNWHRSA-N	-1	0	277.346	0.260	20	30		CCEDRM
C[C@@]1(C(=O)[O-])CCC[C@H]1NS(=O)(=O)CC1(C#N)CC1	ZINC000548554213	330281091	/nfs/dbraw/zinc/28/10/91/330281091.db2.gz	MOJGWBXLVKIYQH-MWLCHTKSSA-N	-1	0	286.353	0.853	20	30		CCEDRM
C=C[C@@H]1OCC[C@H]1CNC(=O)CSCC(=O)[O-]	ZINC000424258307	330332418	/nfs/dbraw/zinc/33/24/18/330332418.db2.gz	WUHWOAXVDZFVFB-IUCAKERBSA-N	-1	0	259.327	0.512	20	30		CCEDRM
C=C[C@@H]1OCC[C@H]1CNC(=O)N(C)CCC(=O)[O-]	ZINC000424395964	330350189	/nfs/dbraw/zinc/35/01/89/330350189.db2.gz	GCHAJYXBGZUDFZ-UWVGGRQHSA-N	-1	0	256.302	0.694	20	30		CCEDRM
C=CCC[C@@H](CO)NC(=O)N=c1[n-]nc(OC)s1	ZINC000455260201	331163358	/nfs/dbraw/zinc/16/33/58/331163358.db2.gz	SZMMMUFOBHZWPK-ZETCQYMHSA-N	-1	0	272.330	0.417	20	30		CCEDRM
C=C(C)COCCNC(=O)N=c1nc2n([n-]1)CCCC2	ZINC000456005766	331182296	/nfs/dbraw/zinc/18/22/96/331182296.db2.gz	GVEZGKLUKPRQID-UHFFFAOYSA-N	-1	0	279.344	0.751	20	30		CCEDRM
COCCN(CC#N)C(=O)c1cc([O-])cc([N+](=O)[O-])c1	ZINC000457208210	331215956	/nfs/dbraw/zinc/21/59/56/331215956.db2.gz	WFPDFUKDILKIRF-UHFFFAOYSA-N	-1	0	279.252	0.913	20	30		CCEDRM
C#CCN(C)C(=O)c1cc(S(=O)(=O)N(C)C)ccc1[O-]	ZINC000491640369	332260155	/nfs/dbraw/zinc/26/01/55/332260155.db2.gz	YHNQDUNVPGQTFX-UHFFFAOYSA-N	-1	0	296.348	0.348	20	30		CCEDRM
C#C[C@H]1COCCN1C(=O)N=c1nc(CCC)[n-]s1	ZINC000491653287	332266010	/nfs/dbraw/zinc/26/60/10/332266010.db2.gz	CKVAGFPRFYAJPB-VIFPVBQESA-N	-1	0	280.353	0.778	20	30		CCEDRM
C=CCS(=O)(=O)[N-]C(=O)/C=C\c1ccnn1CC	ZINC000492380883	332394805	/nfs/dbraw/zinc/39/48/05/332394805.db2.gz	AFZWIVOTCZNDIG-WAYWQWQTSA-N	-1	0	269.326	0.548	20	30		CCEDRM
C=CCOC[C@@H](NC(=O)N[C@H](C)CCOC)C(=O)[O-]	ZINC000575448576	335104766	/nfs/dbraw/zinc/10/47/66/335104766.db2.gz	SVVUMCVEYNIGRK-NXEZZACHSA-N	-1	0	274.317	0.366	20	30		CCEDRM
CC(=NNCC(=O)[O-])[C@H](C)NC(=O)OC(C)(C)C	ZINC000495721110	332528173	/nfs/dbraw/zinc/52/81/73/332528173.db2.gz	OWCURLCRERTEAX-ZETCQYMHSA-N	-1	0	259.306	0.950	20	30		CCEDRM
Cc1cc(C)n2[n-]c(=NC(=O)NCC3(C#N)CC3)nc2n1	ZINC000575815020	335118404	/nfs/dbraw/zinc/11/84/04/335118404.db2.gz	LKPHPIMBXOBBMJ-UHFFFAOYSA-N	-1	0	285.311	0.588	20	30		CCEDRM
C=CCOC[C@H](NS(=O)(=O)C1(C)CC1)C(=O)[O-]	ZINC000575865459	335124579	/nfs/dbraw/zinc/12/45/79/335124579.db2.gz	CRDNDAFHSUEBIX-QMMMGPOBSA-N	-1	0	263.315	0.114	20	30		CCEDRM
C[C@@H]1CCN(S(=O)(=O)N(C)CCC#N)[C@H](C(=O)[O-])C1	ZINC000548250935	334147178	/nfs/dbraw/zinc/14/71/78/334147178.db2.gz	YTHSOSSAWAXDSJ-ZJUUUORDSA-N	-1	0	289.357	0.262	20	30		CCEDRM
COCCN([C@H](C)C(=O)[O-])S(=O)(=O)CCCC#N	ZINC000548572013	334162689	/nfs/dbraw/zinc/16/26/89/334162689.db2.gz	HXYXPINSMJAJHA-SECBINFHSA-N	-1	0	278.330	0.041	20	30		CCEDRM
C[C@H]1CCN(S(=O)(=O)CC2(C#N)CC2)[C@@H](C(=O)[O-])C1	ZINC000548577071	334162858	/nfs/dbraw/zinc/16/28/58/334162858.db2.gz	UJSGYZJKAIUGMS-VHSXEESVSA-N	-1	0	286.353	0.805	20	30		CCEDRM
C=CCN(CC(=O)[O-])S(=O)(=O)c1cn(CC)cn1	ZINC000092890293	334437172	/nfs/dbraw/zinc/43/71/72/334437172.db2.gz	NSGFFVWJRPFATL-UHFFFAOYSA-N	-1	0	273.314	0.164	20	30		CCEDRM
C=CCC[C@@H](NC(=O)CCNC(=O)c1ccco1)C(=O)[O-]	ZINC000262960792	334581880	/nfs/dbraw/zinc/58/18/80/334581880.db2.gz	RSKWPEPORNXKMQ-SNVBAGLBSA-N	-1	0	294.307	0.935	20	30		CCEDRM
C=CCCS(=O)(=O)N[C@@H](C(=O)[O-])c1ccnn1C	ZINC000568382848	334821313	/nfs/dbraw/zinc/82/13/13/334821313.db2.gz	PLTUQDNLABAMPR-SECBINFHSA-N	-1	0	273.314	0.041	20	30		CCEDRM
C=C[C@@H]1OCC[C@H]1CNC(=O)[C@H]1CC[C@@H](C(=O)[O-])O1	ZINC000572713841	334873702	/nfs/dbraw/zinc/87/37/02/334873702.db2.gz	IEBUHEGMVZOTBO-MMWGEVLESA-N	-1	0	269.297	0.326	20	30		CCEDRM
C[C@H](C(=O)[O-])C1CN(S(=O)(=O)c2cccc(C#N)c2)C1	ZINC000165160023	334892700	/nfs/dbraw/zinc/89/27/00/334892700.db2.gz	OSPNEVULSXHBMN-VIFPVBQESA-N	-1	0	294.332	0.899	20	30		CCEDRM
N#CC1(CNC(=O)N=c2[n-]nc3ccccn32)CC1	ZINC000576534398	335216683	/nfs/dbraw/zinc/21/66/83/335216683.db2.gz	ALEZDDMLSSUUSO-UHFFFAOYSA-N	-1	0	256.269	0.576	20	30		CCEDRM
Cc1cc(C)n2[n-]c(=NC(=O)NCC3(CC#N)CC3)nc2n1	ZINC000577525471	335364798	/nfs/dbraw/zinc/36/47/98/335364798.db2.gz	AQYVOGCDLYSNHJ-UHFFFAOYSA-N	-1	0	299.338	0.978	20	30		CCEDRM
C=CC[C@@H](CO)NC(=O)c1cccc([N+](=O)[O-])c1[O-]	ZINC000185767048	519104156	/nfs/dbraw/zinc/10/41/56/519104156.db2.gz	NJHKQIJSWLXYOA-QMMMGPOBSA-N	-1	0	266.253	0.967	20	30		CCEDRM
C=CCC[C@@H](NS(=O)(=O)CC1CCOCC1)C(=O)[O-]	ZINC000521354617	545101348	/nfs/dbraw/zinc/10/13/48/545101348.db2.gz	YNTMMCHKFGKMBH-LLVKDONJSA-N	-1	0	291.369	0.752	20	30		CCEDRM
CC(=O)Nc1ccc(C(=O)Nc2nc(C#N)c(C#N)[n-]2)nc1	ZINC000360841270	534739187	/nfs/dbraw/zinc/73/91/87/534739187.db2.gz	GLNQEQHYFJNEHU-UHFFFAOYSA-N	-1	0	295.262	0.759	20	30		CCEDRM
N#Cc1cccc(NCC(=O)NCc2n[nH]c(=O)[n-]2)c1	ZINC000426878009	534810563	/nfs/dbraw/zinc/81/05/63/534810563.db2.gz	BUIOYHIJQRGZOO-UHFFFAOYSA-N	-1	0	272.268	0.110	20	30		CCEDRM
N#Cc1ncn(CC(=O)Nc2cccc(CCC(=O)[O-])c2)n1	ZINC000353132241	526798383	/nfs/dbraw/zinc/79/83/83/526798383.db2.gz	XQOBSWVZVMUBMJ-UHFFFAOYSA-N	-1	0	299.290	0.806	20	30		CCEDRM
CC(C)(CC#N)CS(=O)(=O)[N-]CC(F)(F)CO	ZINC000332503943	526959773	/nfs/dbraw/zinc/95/97/73/526959773.db2.gz	JOLJOTDYVSDRPB-UHFFFAOYSA-N	-1	0	270.301	0.473	20	30		CCEDRM
C=CCCOCC(=O)N[C@@H](C(=O)[O-])C1CCOCC1	ZINC000668307204	545172292	/nfs/dbraw/zinc/17/22/92/545172292.db2.gz	AFAZVMZGLBAYRN-GFCCVEGCSA-N	-1	0	271.313	0.575	20	30		CCEDRM
CCOC(=O)c1cn(C)[n-]c1=NC(=O)NCC(C)(C)C#N	ZINC000350785427	528278408	/nfs/dbraw/zinc/27/84/08/528278408.db2.gz	ITXXOTUMPPZODG-UHFFFAOYSA-N	-1	0	293.327	0.690	20	30		CCEDRM
C=CC[C@H](NS(=O)(=O)c1c[nH]c(C(C)C)n1)C(=O)[O-]	ZINC000681557820	545456181	/nfs/dbraw/zinc/45/61/81/545456181.db2.gz	GYMBWURYDRGWJV-QMMMGPOBSA-N	-1	0	287.341	0.841	20	30		CCEDRM
C=CC[C@H](NS(=O)(=O)N(C)CC(C)C)C(=O)[O-]	ZINC000681557500	545456287	/nfs/dbraw/zinc/45/62/87/545456287.db2.gz	BJRKFBXEVXUHCD-VIFPVBQESA-N	-1	0	264.347	0.438	20	30		CCEDRM
C=CCC[C@@H](NS(=O)(=O)N(C)C1CC1)C(=O)[O-]	ZINC000681578537	545456775	/nfs/dbraw/zinc/45/67/75/545456775.db2.gz	PINOKXRSCKKOSQ-SECBINFHSA-N	-1	0	262.331	0.334	20	30		CCEDRM
C=CCC[C@@H](NS(=O)(=O)N(C)CC1CC1)C(=O)[O-]	ZINC000681579401	545456875	/nfs/dbraw/zinc/45/68/75/545456875.db2.gz	NBTGIKDGPKADDM-SNVBAGLBSA-N	-1	0	276.358	0.582	20	30		CCEDRM
CCOc1cnc(C(=O)[N-]S(=O)(=O)CCCC#N)cn1	ZINC000778706429	581164266	/nfs/dbraw/zinc/16/42/66/581164266.db2.gz	QMWBZNMWLZTGKE-UHFFFAOYSA-N	-1	0	298.324	0.239	20	30		CCEDRM
C[C@H](NC(=O)[O-])C(=O)O[C@@H](C(N)=O)c1ccc(C#N)cc1	ZINC000738995032	581116784	/nfs/dbraw/zinc/11/67/84/581116784.db2.gz	LSQMNVSZRTUQPY-OIBJUYFYSA-N	-1	0	291.263	0.284	20	30		CCEDRM
COCCO[N-]C(=O)C(=O)Nc1cccc(C#N)c1C	ZINC000789828504	581158691	/nfs/dbraw/zinc/15/86/91/581158691.db2.gz	ZMZSLYHUQJQXDO-UHFFFAOYSA-N	-1	0	277.280	0.499	20	30		CCEDRM
C=CCS(=O)(=O)[N-]C(=O)[C@@H](C)NC(=O)CC(C)(C)C	ZINC000778691416	581163085	/nfs/dbraw/zinc/16/30/85/581163085.db2.gz	CSICCIINRFUXIB-SECBINFHSA-N	-1	0	290.385	0.559	20	30		CCEDRM
N#CCN(CC(=O)[O-])C(=O)c1cc(-c2ccco2)n[nH]1	ZINC000739079088	581172537	/nfs/dbraw/zinc/17/25/37/581172537.db2.gz	QUHMQXSUKYGPJC-UHFFFAOYSA-N	-1	0	274.236	0.720	20	30		CCEDRM
N#Cc1cccnc1NCCNC(=O)[C@@H]1C[C@@H]1C(=O)[O-]	ZINC000739142563	581183489	/nfs/dbraw/zinc/18/34/89/581183489.db2.gz	PHLQZKRTNIWSFI-ZJUUUORDSA-N	-1	0	274.280	0.202	20	30		CCEDRM
CC#CCS(=O)(=O)[N-]C(=O)c1cccnc1OC	ZINC000791111670	581207480	/nfs/dbraw/zinc/20/74/80/581207480.db2.gz	WFBKFRLJMHOOFO-UHFFFAOYSA-N	-1	0	268.294	0.173	20	30		CCEDRM
C#CCCS(=O)(=O)[N-]C(=O)c1cc(C(C)C)nn1C	ZINC000791110305	581207702	/nfs/dbraw/zinc/20/77/02/581207702.db2.gz	BMYAGNMTAYNJAX-UHFFFAOYSA-N	-1	0	283.353	0.626	20	30		CCEDRM
N#CCCCS(=O)(=O)[N-]C(=O)[C@@H]1CSCCS1	ZINC000780472652	581229980	/nfs/dbraw/zinc/22/99/80/581229980.db2.gz	AKHKQXXSTPLFQG-QMMMGPOBSA-N	-1	0	294.423	0.585	20	30		CCEDRM
C=CCC1(C(=O)[N-]S(=O)(=O)c2ccnn2C)CCC1	ZINC000791878227	581238507	/nfs/dbraw/zinc/23/85/07/581238507.db2.gz	JVDOGVMWTAMDGB-UHFFFAOYSA-N	-1	0	283.353	0.971	20	30		CCEDRM
C=CCOCC(=O)[N-]S(=O)(=O)c1ncccc1F	ZINC000791944219	581241569	/nfs/dbraw/zinc/24/15/69/581241569.db2.gz	XTKOOLSLHOAILU-UHFFFAOYSA-N	-1	0	274.273	0.228	20	30		CCEDRM
CC[C@H](NN=C1C(=O)Nc2ccc(F)cc21)C(=O)[O-]	ZINC000793055659	581282353	/nfs/dbraw/zinc/28/23/53/581282353.db2.gz	AYQQQZFJXIENQI-QMMMGPOBSA-N	-1	0	265.244	0.935	20	30		CCEDRM
CC[C@H](NN=C1C(=O)Nc2cc(F)ccc21)C(=O)[O-]	ZINC000793058564	581282654	/nfs/dbraw/zinc/28/26/54/581282654.db2.gz	VQZHGUYUWFQGTI-QMMMGPOBSA-N	-1	0	265.244	0.935	20	30		CCEDRM
C[C@@H](C(=O)[N-]S(=O)(=O)CC1(C#N)CC1)C1CC1	ZINC000793195802	581287860	/nfs/dbraw/zinc/28/78/60/581287860.db2.gz	FZOWNKKAZMBWCV-MRVPVSSYSA-N	-1	0	256.327	0.782	20	30		CCEDRM
Cc1cc(C(=O)[N-]S(=O)(=O)CC2(C#N)CC2)ns1	ZINC000793194948	581287878	/nfs/dbraw/zinc/28/78/78/581287878.db2.gz	BHBBWXLLTMQVMO-UHFFFAOYSA-N	-1	0	285.350	0.815	20	30		CCEDRM
C[C@@H]1C(=O)CC[C@H]1CC(=O)[N-]S(=O)(=O)CC1(C#N)CC1	ZINC000793195428	581287880	/nfs/dbraw/zinc/28/78/80/581287880.db2.gz	LWMQQYMKIYUFFL-UWVGGRQHSA-N	-1	0	298.364	0.741	20	30		CCEDRM
CCCSCC(=O)[N-]S(=O)(=O)CC1(C#N)CC1	ZINC000793195474	581287924	/nfs/dbraw/zinc/28/79/24/581287924.db2.gz	MWWHMHYHLHPIPL-UHFFFAOYSA-N	-1	0	276.383	0.879	20	30		CCEDRM
CC(C)CO[C@@H](C)C(=O)[N-]S(=O)(=O)CC1(C#N)CC1	ZINC000793202185	581288159	/nfs/dbraw/zinc/28/81/59/581288159.db2.gz	XDFOHOSYFZERPO-JTQLQIEISA-N	-1	0	288.369	0.797	20	30		CCEDRM
C=CCOCC(=O)[N-]S(=O)(=O)Cc1ccccn1	ZINC000793319854	581294672	/nfs/dbraw/zinc/29/46/72/581294672.db2.gz	QORZCTRRUGKIJA-UHFFFAOYSA-N	-1	0	270.310	0.230	20	30		CCEDRM
N#CC1(C(=O)N2CC[C@H](CNC(=O)[O-])C2)CCOCC1	ZINC000740308683	581323629	/nfs/dbraw/zinc/32/36/29/581323629.db2.gz	AJCSOATVILYLAB-SNVBAGLBSA-N	-1	0	281.312	0.423	20	30		CCEDRM
N#CC1(NC(=O)CN(C[C@@H]2CCCO2)C(=O)[O-])CCC1	ZINC000740309169	581323723	/nfs/dbraw/zinc/32/37/23/581323723.db2.gz	FSAZPLOFNBOPCW-JTQLQIEISA-N	-1	0	281.312	0.708	20	30		CCEDRM
N#Cc1ccccc1N1CCN(C(=O)CNC(=O)[O-])CC1	ZINC000740324557	581326443	/nfs/dbraw/zinc/32/64/43/581326443.db2.gz	ZHNRTFDOHUJLLS-UHFFFAOYSA-N	-1	0	288.307	0.474	20	30		CCEDRM
N#Cc1ncn(CC/N=C/c2cc([N+](=O)[O-])ccc2[O-])n1	ZINC000794677647	581383488	/nfs/dbraw/zinc/38/34/88/581383488.db2.gz	WYCNTBQEYHBVEK-VGOFMYFVSA-N	-1	0	286.251	0.883	20	30		CCEDRM
Cn1cc(S(=O)(=O)[N-]C(=O)CC(C)(C)C#N)cn1	ZINC000786280925	581436115	/nfs/dbraw/zinc/43/61/15/581436115.db2.gz	GQLKBKGEKYPNKU-UHFFFAOYSA-N	-1	0	270.314	0.165	20	30		CCEDRM
CC(C)(C#N)CS(=O)(=O)[N-]C(=O)C[C@H]1CCCOC1	ZINC000796811016	581451212	/nfs/dbraw/zinc/45/12/12/581451212.db2.gz	GJODYKJJOQNFAX-SNVBAGLBSA-N	-1	0	288.369	0.799	20	30		CCEDRM
N#Cc1ccc(C(=O)[N-]S(=O)(=O)c2cc[nH]n2)cc1	ZINC000796879699	581453325	/nfs/dbraw/zinc/45/33/25/581453325.db2.gz	XLKRQBDAFAUUBL-UHFFFAOYSA-N	-1	0	276.277	0.400	20	30		CCEDRM
COC[C@@H](C)S(=O)(=O)[N-]C(=O)c1ccc(C#N)o1	ZINC000796881374	581453329	/nfs/dbraw/zinc/45/33/29/581453329.db2.gz	FSBYFNXSGXLJPV-SSDOTTSWSA-N	-1	0	272.282	0.246	20	30		CCEDRM
C=CCS(=O)(=O)[N-]C(=O)c1cnc(COC)s1	ZINC000797182828	581461227	/nfs/dbraw/zinc/46/12/27/581461227.db2.gz	DCQHJYFYTGWALV-UHFFFAOYSA-N	-1	0	276.339	0.535	20	30		CCEDRM
C=C(C)C[C@@H](C)C(=O)[N-]S(=O)(=O)[C@@H](C)C(=O)OC	ZINC000797306251	581464606	/nfs/dbraw/zinc/46/46/06/581464606.db2.gz	PBDSCXNIRLWSQC-BDAKNGLRSA-N	-1	0	277.342	0.596	20	30		CCEDRM
C[C@@H](Oc1ccc(C#N)cc1)C(=O)[N-]OCCO	ZINC000787293922	581465359	/nfs/dbraw/zinc/46/53/59/581465359.db2.gz	QXCZCUHJDYXYSU-SECBINFHSA-N	-1	0	250.254	0.366	20	30		CCEDRM
N#Cc1ccccc1C=CC(=O)Nc1n[nH]c(CC(=O)[O-])n1	ZINC000739139063	581511091	/nfs/dbraw/zinc/51/10/91/581511091.db2.gz	CQSZWSQPQDSIHM-WAYWQWQTSA-N	-1	0	297.274	0.955	20	30		CCEDRM
C[C@H]1CN(CC(=O)N[C@](C)(C#N)C2CC2)CCN1C(=O)[O-]	ZINC000739176589	581516997	/nfs/dbraw/zinc/51/69/97/581516997.db2.gz	UJECDLHMGNTJML-IINYFYTJSA-N	-1	0	294.355	0.479	20	30		CCEDRM
C[C@@H]1CN(CC(=O)N[C@](C)(C#N)C2CC2)CCN1C(=O)[O-]	ZINC000739176591	581517327	/nfs/dbraw/zinc/51/73/27/581517327.db2.gz	UJECDLHMGNTJML-QMTHXVAHSA-N	-1	0	294.355	0.479	20	30		CCEDRM
COC[C@H](C)S(=O)(=O)[N-]C(=O)Cc1ccc(C#N)cc1	ZINC000733719537	581520727	/nfs/dbraw/zinc/52/07/27/581520727.db2.gz	JICLMNRCBXRGIR-JTQLQIEISA-N	-1	0	296.348	0.582	20	30		CCEDRM
C[C@H]1OC(C)(C)N(C(=O)[O-])[C@@H]1C(=O)N(C)CC#N	ZINC000739198651	581521851	/nfs/dbraw/zinc/52/18/51/581521851.db2.gz	POXYCBNMZGGGTL-SFYZADRCSA-N	-1	0	255.274	0.472	20	30		CCEDRM
COC(=O)c1cc(C=NNc2nnc(C)c(=O)[n-]2)c[nH]1	ZINC000753161520	581529863	/nfs/dbraw/zinc/52/98/63/581529863.db2.gz	QTAPCVCZMBLUKS-UHFFFAOYSA-N	-1	0	276.256	0.446	20	30		CCEDRM
COCCNC(=O)C(C#N)=C([O-])c1cn2ccccc2n1	ZINC000729070293	581546677	/nfs/dbraw/zinc/54/66/77/581546677.db2.gz	SRUZBNHOKQLHEG-SNVBAGLBSA-N	-1	0	286.291	0.419	20	30		CCEDRM
COCCNC(=O)C(C#N)=C([O-])c1ccnn1C(C)C	ZINC000766257060	581559630	/nfs/dbraw/zinc/55/96/30/581559630.db2.gz	ILKGAWOFVBTRMB-JTQLQIEISA-N	-1	0	278.312	0.549	20	30		CCEDRM
O=c1cn[nH]c(=S)n1N=Cc1ccc([N+](=O)[O-])c([O-])c1	ZINC000766483558	581568141	/nfs/dbraw/zinc/56/81/41/581568141.db2.gz	YTDICJBLGFLECH-UHFFFAOYSA-N	-1	0	293.264	0.423	20	30		CCEDRM
O=C([O-])c1cc(C=Nn2c(=O)cn[nH]c2=S)ccc1O	ZINC000766485579	581568635	/nfs/dbraw/zinc/56/86/35/581568635.db2.gz	VDNAVVVSFFOEDS-UHFFFAOYSA-N	-1	0	292.276	0.213	20	30		CCEDRM
CCCn1cc(C([O-])=C(C#N)C(=O)NC(C)C)nn1	ZINC000766623939	581573674	/nfs/dbraw/zinc/57/36/74/581573674.db2.gz	WGTLGBDHDOEYKF-VIFPVBQESA-N	-1	0	263.301	0.535	20	30		CCEDRM
CCOCCS(=O)(=O)[N-]C(=O)c1ccc(C#N)nc1	ZINC000734712754	581583315	/nfs/dbraw/zinc/58/33/15/581583315.db2.gz	GITGZTKGDHDRKL-UHFFFAOYSA-N	-1	0	283.309	0.049	20	30		CCEDRM
Cc1nnc(NN=Cc2cnn3ccccc23)[n-]c1=O	ZINC000729635814	581607896	/nfs/dbraw/zinc/60/78/96/581607896.db2.gz	NTNOSLZGCXTQHA-UHFFFAOYSA-N	-1	0	269.268	0.979	20	30		CCEDRM
COc1ccc(S(=O)(=O)[N-]C(=O)CC(C)(C)C#N)cn1	ZINC000786525014	581610250	/nfs/dbraw/zinc/61/02/50/581610250.db2.gz	YQRBRPDFTKHQRP-UHFFFAOYSA-N	-1	0	297.336	0.835	20	30		CCEDRM
COCCN(CC(=O)N[C@@H](C#N)C(C)C)C(=O)[O-]	ZINC000739822073	581624489	/nfs/dbraw/zinc/62/44/89/581624489.db2.gz	IMNIIKAIBBBEKS-VIFPVBQESA-N	-1	0	257.290	0.277	20	30		CCEDRM
Cc1cc(C#N)ccc1S(=O)(=O)NCCNC(=O)[O-]	ZINC000740052624	581647903	/nfs/dbraw/zinc/64/79/03/581647903.db2.gz	OPBOBDHRTIWOQB-UHFFFAOYSA-N	-1	0	283.309	0.413	20	30		CCEDRM
N#C[C@@H](C(=O)[C@H]1CCN(C(=O)[O-])C1)C(=O)N1CCCC1	ZINC000740303947	581662094	/nfs/dbraw/zinc/66/20/94/581662094.db2.gz	NWGDRWFGXXMEDL-UWVGGRQHSA-N	-1	0	279.296	0.318	20	30		CCEDRM
N#CCN1CCC(NC(=O)[C@H]2CCCN2C(=O)[O-])CC1	ZINC000740304959	581662431	/nfs/dbraw/zinc/66/24/31/581662431.db2.gz	DQIVSCPJXSVRAA-LLVKDONJSA-N	-1	0	280.328	0.233	20	30		CCEDRM
N#CCCCS(=O)(=O)N1CC[C@H](CNC(=O)[O-])C1	ZINC000740306653	581662822	/nfs/dbraw/zinc/66/28/22/581662822.db2.gz	IAUJZWZWUKLPIF-SECBINFHSA-N	-1	0	275.330	0.209	20	30		CCEDRM
N#C[C@@H]1CN(C(=O)C2(NC(=O)[O-])CCCCC2)CCO1	ZINC000740309893	581664057	/nfs/dbraw/zinc/66/40/57/581664057.db2.gz	PEZCYFIBJWKZLX-SNVBAGLBSA-N	-1	0	281.312	0.708	20	30		CCEDRM
N#Cc1cccc(S(=O)(=O)N2CC[C@@H](NC(=O)[O-])C2)c1	ZINC000740323090	581665781	/nfs/dbraw/zinc/66/57/81/581665781.db2.gz	LVPYPBZEAIETPO-SNVBAGLBSA-N	-1	0	295.320	0.589	20	30		CCEDRM
C#CCCN1CCN(C(=O)[C@@H](NC(=O)[O-])C(C)C)CC1	ZINC000736077374	581695688	/nfs/dbraw/zinc/69/56/88/581695688.db2.gz	SELSHWZIIIWVRQ-LBPRGKRZSA-N	-1	0	281.356	0.446	20	30		CCEDRM
C=CCN(CC=C)C(=O)COC(=O)[C@H]1C[C@@H]1C(=O)[O-]	ZINC000736107935	581697813	/nfs/dbraw/zinc/69/78/13/581697813.db2.gz	BCWFMYMRKPNCIJ-UWVGGRQHSA-N	-1	0	267.281	0.451	20	30		CCEDRM
Cc1c(C(=O)[O-])oc2c1C(=NNCC(N)=O)CCC2	ZINC000758897006	581700139	/nfs/dbraw/zinc/70/01/39/581700139.db2.gz	WOLRSQDHDRMRPI-UHFFFAOYSA-N	-1	0	265.269	0.402	20	30		CCEDRM
C#Cc1cccc(NC(=O)C(=O)NCCC(=O)[O-])c1	ZINC000736091109	581701465	/nfs/dbraw/zinc/70/14/65/581701465.db2.gz	OVVDRANXDYMYOX-UHFFFAOYSA-N	-1	0	260.249	0.197	20	30		CCEDRM
C=C(COC(=O)[C@@H](NC(=O)[O-])C(C)C)C(=O)OCC	ZINC000736094509	581701777	/nfs/dbraw/zinc/70/17/77/581701777.db2.gz	ISETYOODMKFBDT-VIFPVBQESA-N	-1	0	273.285	0.941	20	30		CCEDRM
C[C@H](C(=O)N(CC#N)CC(=O)[O-])N1CCc2ccccc21	ZINC000736201634	581714216	/nfs/dbraw/zinc/71/42/16/581714216.db2.gz	URRDWSXLAPNEDB-LLVKDONJSA-N	-1	0	287.319	0.874	20	30		CCEDRM
CC[C@@](C)(C#N)NC(=O)c1ccc(-c2nn[nH]n2)nc1	ZINC000736315052	581737240	/nfs/dbraw/zinc/73/72/40/581737240.db2.gz	VMWCVJPFYSPVMR-LBPRGKRZSA-N	-1	0	271.284	0.684	20	30		CCEDRM
COC(C)(C)C(=O)[N-]S(=O)(=O)Cc1ccccc1C#N	ZINC000730920162	581746388	/nfs/dbraw/zinc/74/63/88/581746388.db2.gz	SEMAILLHOQGMIO-UHFFFAOYSA-N	-1	0	296.348	0.929	20	30		CCEDRM
CC(C)[C@H](N[C@H](C(=O)[O-])c1ccc(C#N)cc1)C(N)=O	ZINC000736390993	581757598	/nfs/dbraw/zinc/75/75/98/581757598.db2.gz	YJLAJULPJHFJTM-RYUDHWBXSA-N	-1	0	275.308	0.783	20	30		CCEDRM
CC(C)C[C@H](NC(=O)[O-])C(=O)NC1CCN(CC#N)CC1	ZINC000736423951	581764479	/nfs/dbraw/zinc/76/44/79/581764479.db2.gz	VLZRHWFCJGWSGD-LBPRGKRZSA-N	-1	0	296.371	0.773	20	30		CCEDRM
CNC(=O)C(C#N)=C([O-])c1cc(F)cc([N+](=O)[O-])c1	ZINC000731546178	581770158	/nfs/dbraw/zinc/77/01/58/581770158.db2.gz	MCVVYASUCYXNPK-SECBINFHSA-N	-1	0	265.200	0.802	20	30		CCEDRM
Cc1cc(Br)c(O)c(C=NNCC(N)=O)c1	ZINC000758890661	581773223	/nfs/dbraw/zinc/77/32/23/581773223.db2.gz	YVMWYAUJOAUJQJ-UHFFFAOYSA-N	-1	0	286.129	0.872	20	30		CCEDRM
Cn1ccnc1C(=O)C(C#N)=C([O-])c1cccc(C(N)=O)c1	ZINC000770865945	581775326	/nfs/dbraw/zinc/77/53/26/581775326.db2.gz	JQPFDUPNSBNDOZ-NSHDSACASA-N	-1	0	296.286	0.724	20	30		CCEDRM
C=CCCOCC(=O)C(C#N)=C([O-])c1nccn1C	ZINC000770862508	581775540	/nfs/dbraw/zinc/77/55/40/581775540.db2.gz	NSDXWPDWFVYIGX-SNVBAGLBSA-N	-1	0	261.281	0.904	20	30		CCEDRM
COC(=O)NCCCC(=O)C(C#N)=C([O-])c1nccn1C	ZINC000770865251	581775620	/nfs/dbraw/zinc/77/56/20/581775620.db2.gz	DPMXVPFETHZXAQ-SECBINFHSA-N	-1	0	292.295	0.448	20	30		CCEDRM
O=C([O-])Cn1cc(/C=C/C(=O)c2cncc(F)c2)nn1	ZINC000759084277	581782645	/nfs/dbraw/zinc/78/26/45/581782645.db2.gz	OLFAEXQESBTWTB-OWOJBTEDSA-N	-1	0	276.227	0.793	20	30		CCEDRM
CCO[C@H]1C[C@H]1C(=O)[N-]S(=O)(=O)CC1(C#N)CCC1	ZINC000771074946	581789603	/nfs/dbraw/zinc/78/96/03/581789603.db2.gz	WJGVSRJVQMXXGO-ZJUUUORDSA-N	-1	0	286.353	0.551	20	30		CCEDRM
CCO[C@H](C)C(=O)[N-]S(=O)(=O)CC1(C#N)CCC1	ZINC000771075960	581789632	/nfs/dbraw/zinc/78/96/32/581789632.db2.gz	BOYZYQHUPRBTDF-SECBINFHSA-N	-1	0	274.342	0.551	20	30		CCEDRM
C=CCCOCC(=O)[N-]S(=O)(=O)CC1(C#N)CCC1	ZINC000771080731	581790440	/nfs/dbraw/zinc/79/04/40/581790440.db2.gz	ZZQKDKYRCAVPTF-UHFFFAOYSA-N	-1	0	286.353	0.719	20	30		CCEDRM
N#CC1(CS(=O)(=O)[N-]C(=O)CC2CC2)CCC1	ZINC000771081278	581790504	/nfs/dbraw/zinc/79/05/04/581790504.db2.gz	RJNCJQJKIRHNON-UHFFFAOYSA-N	-1	0	256.327	0.926	20	30		CCEDRM
CCc1nn(C)cc1C([O-])=C(C#N)C(=O)NC(C)C	ZINC000771262039	581797493	/nfs/dbraw/zinc/79/74/93/581797493.db2.gz	UPDJSGJHOZVIEL-SECBINFHSA-N	-1	0	262.313	0.830	20	30		CCEDRM
C[C@H](NC(=O)C1CCCCC1)C(=O)N(CC#N)CC(=O)[O-]	ZINC000736632192	581807258	/nfs/dbraw/zinc/80/72/58/581807258.db2.gz	VBXNPUQJLHYWLB-JTQLQIEISA-N	-1	0	295.339	0.508	20	30		CCEDRM
C#CCOCCOC(=O)C(C)(C)[N-]C(=O)C(F)(F)F	ZINC000759578165	581808929	/nfs/dbraw/zinc/80/89/29/581808929.db2.gz	DIZMDCDZVXQZAG-UHFFFAOYSA-N	-1	0	281.230	0.637	20	30		CCEDRM
NC(=O)CON=Cc1cc(Cl)cc([N+](=O)[O-])c1[O-]	ZINC000771577221	581809910	/nfs/dbraw/zinc/80/99/10/581809910.db2.gz	BCKREEJQUGGWIN-UHFFFAOYSA-N	-1	0	273.632	0.790	20	30		CCEDRM
CC(C)[C@](C)(C#N)NC(=O)[C@H](C)OC(=O)CCNC(=O)[O-]	ZINC000736688074	581818306	/nfs/dbraw/zinc/81/83/06/581818306.db2.gz	MPIJUEGTWIBUAH-ZANVPECISA-N	-1	0	299.327	0.630	20	30		CCEDRM
C[C@@]1(c2ccc(C#N)cc2)NC(=O)N(CCC(=O)[O-])C1=O	ZINC000736737874	581827268	/nfs/dbraw/zinc/82/72/68/581827268.db2.gz	CXLPMYZLNUNBOY-AWEZNQCLSA-N	-1	0	287.275	0.800	20	30		CCEDRM
C=CCOCCCC(=O)[N-]S(=O)(=O)CCOC	ZINC000744124679	581831940	/nfs/dbraw/zinc/83/19/40/581831940.db2.gz	CQMFQQHQGLDMHU-UHFFFAOYSA-N	-1	0	265.331	0.062	20	30		CCEDRM
N#CC(C(=O)N1CCCC1)=C([O-])c1cnc2nccnc2c1	ZINC000760198684	581848743	/nfs/dbraw/zinc/84/87/43/581848743.db2.gz	YYADTWVKELUTFF-LLVKDONJSA-N	-1	0	295.302	0.970	20	30		CCEDRM
COCCCCCn1c(N)nc(-c2nnn[n-]2)c1C#N	ZINC000736978471	581877911	/nfs/dbraw/zinc/87/79/11/581877911.db2.gz	KOWWILNFJZDIAW-UHFFFAOYSA-N	-1	0	276.304	0.334	20	30		CCEDRM
C=CCS(=O)(=O)[N-]C(=O)COc1ccc(F)cc1	ZINC000772718612	581886237	/nfs/dbraw/zinc/88/62/37/581886237.db2.gz	SJRQITNFQHQOBG-UHFFFAOYSA-N	-1	0	273.285	0.837	20	30		CCEDRM
CCN(CC)c1ccnc([N-]N=C2CCN(C)C2=O)n1	ZINC000761810897	581921084	/nfs/dbraw/zinc/92/10/84/581921084.db2.gz	SZLRNUPNSDZBAQ-UHFFFAOYSA-N	-1	0	276.344	0.953	20	30		CCEDRM
C=C(CC)COC(=O)Cn1[n-]cc2c(=O)ncnc1-2	ZINC000773517537	581930667	/nfs/dbraw/zinc/93/06/67/581930667.db2.gz	SPALAWXOCZDAPR-UHFFFAOYSA-N	-1	0	262.269	0.581	20	30		CCEDRM
CN(CC(=O)NCC#N)[C@H](C(=O)[O-])c1ccccc1	ZINC000737393729	581951680	/nfs/dbraw/zinc/95/16/80/581951680.db2.gz	OGBGNLNDAKKPLS-LBPRGKRZSA-N	-1	0	261.281	0.384	20	30		CCEDRM
Cc1nnc(NN=Cc2ccc3c(c2)nnn3C)[n-]c1=O	ZINC000737424574	581956127	/nfs/dbraw/zinc/95/61/27/581956127.db2.gz	JHPFURKKTIFRKX-UHFFFAOYSA-N	-1	0	284.283	0.613	20	30		CCEDRM
O=[N+]([O-])c1ccc(C=NN[C@@H]2CCS(=O)(=O)C2)cc1[O-]	ZINC000748134971	581963357	/nfs/dbraw/zinc/96/33/57/581963357.db2.gz	ZXVBNDKOVPIDBQ-SECBINFHSA-N	-1	0	299.308	0.411	20	30		CCEDRM
C[C@H]1CC(=O)CC[C@@H]1C(=O)[N-]S(=O)(=O)CCCC#N	ZINC000763031709	581978639	/nfs/dbraw/zinc/97/86/39/581978639.db2.gz	YBMBXYKTKDOYOK-ONGXEEELSA-N	-1	0	286.353	0.741	20	30		CCEDRM
C[C@](C#N)(NC(=O)CN1CCCC[C@H]1C(=O)[O-])C1CC1	ZINC000737560258	581979738	/nfs/dbraw/zinc/97/97/38/581979738.db2.gz	PPTTXVGHIDUILG-SMDDNHRTSA-N	-1	0	279.340	0.734	20	30		CCEDRM
N#CC1(C(=O)N2CCN(C(=O)[O-])CC2)CCOCC1	ZINC000738421425	582047714	/nfs/dbraw/zinc/04/77/14/582047714.db2.gz	DCAWOWXHAGLKOP-UHFFFAOYSA-N	-1	0	267.285	0.129	20	30		CCEDRM
N#CCOc1cccc(NC(=O)C(=O)NCCC(=O)[O-])c1	ZINC000738426885	582048542	/nfs/dbraw/zinc/04/85/42/582048542.db2.gz	UJEOEWGCVXXPIT-UHFFFAOYSA-N	-1	0	291.263	0.118	20	30		CCEDRM
N#Cc1ccc([C@H](OC(=O)CCNC(=O)[O-])C(N)=O)cc1	ZINC000738432354	582048828	/nfs/dbraw/zinc/04/88/28/582048828.db2.gz	JZBGKUBLCDJSLG-NSHDSACASA-N	-1	0	291.263	0.286	20	30		CCEDRM
N#CCCCS(=O)(=O)[N-]C(=O)c1ccc(C#N)s1	ZINC000776115865	582052114	/nfs/dbraw/zinc/05/21/14/582052114.db2.gz	VQKUZTGRDVRKJJ-UHFFFAOYSA-N	-1	0	283.334	0.983	20	30		CCEDRM
C#CCCNC(=O)NCC1CCN(C(=O)[O-])CC1	ZINC000738456938	582052611	/nfs/dbraw/zinc/05/26/11/582052611.db2.gz	GUVIGLKXDJGDMM-UHFFFAOYSA-N	-1	0	253.302	0.699	20	30		CCEDRM
C#Cc1ccc(C(=O)N2CCN(C(=O)[O-])C[C@@H]2C)nc1	ZINC000738467308	582054321	/nfs/dbraw/zinc/05/43/21/582054321.db2.gz	LLXKZNKZVRVFIF-JTQLQIEISA-N	-1	0	273.292	0.887	20	30		CCEDRM
C[C@H](OCC1CC1)C(=O)[N-]S(=O)(=O)CC(C)(C)C#N	ZINC000776144764	582054531	/nfs/dbraw/zinc/05/45/31/582054531.db2.gz	UWHTWEYDBNCKIV-VIFPVBQESA-N	-1	0	288.369	0.797	20	30		CCEDRM
C=CCNC(=O)[C@@H](C)N1CCN(C(=O)[O-])[C@@H](C)C1	ZINC000738496211	582056578	/nfs/dbraw/zinc/05/65/78/582056578.db2.gz	UJUURCXLZVVUJZ-VHSXEESVSA-N	-1	0	255.318	0.361	20	30		CCEDRM
CC(=NNC(=S)NCC(N)=O)c1cccc(C(=O)[O-])c1	ZINC000764692145	582062723	/nfs/dbraw/zinc/06/27/23/582062723.db2.gz	LEXZQQQWTHTBJT-UHFFFAOYSA-N	-1	0	294.336	0.058	20	30		CCEDRM
C[C@H](C#N)NC(=O)c1csc(CNC(=O)[O-])n1	ZINC000738598904	582064923	/nfs/dbraw/zinc/06/49/23/582064923.db2.gz	BOSYPCHIJIBCJZ-RXMQYKEDSA-N	-1	0	254.271	0.553	20	30		CCEDRM
O=C1CN(N=Cc2cc([O-])ccc2[N+](=O)[O-])C(=O)N1	ZINC000751133904	582071255	/nfs/dbraw/zinc/07/12/55/582071255.db2.gz	IJXATCCZDVPIQV-UHFFFAOYSA-N	-1	0	264.197	0.186	20	30		CCEDRM
Cc1ncc(/C=C/C(=O)N(CC#N)CC(=O)[O-])s1	ZINC000738882946	582085472	/nfs/dbraw/zinc/08/54/72/582085472.db2.gz	FDPVIBYKQWWCCU-NSCUHMNNSA-N	-1	0	265.294	0.902	20	30		CCEDRM
N#CC1(CS(=O)(=O)N(CC(=O)[O-])C2CC2)CCCC1	ZINC000776667634	582086465	/nfs/dbraw/zinc/08/64/65/582086465.db2.gz	HTIYJTFRWQJXOR-UHFFFAOYSA-N	-1	0	286.353	0.949	20	30		CCEDRM
C#Cc1ccc(C(=O)N2CCC[C@H](c3nnn[n-]3)C2)nc1	ZINC000765109456	582089801	/nfs/dbraw/zinc/08/98/01/582089801.db2.gz	LKBBDUMRKPPBHO-NSHDSACASA-N	-1	0	282.307	0.596	20	30		CCEDRM
Cc1oc(C=NNCCS(C)(=O)=O)cc1C(=O)[O-]	ZINC000738969642	582094603	/nfs/dbraw/zinc/09/46/03/582094603.db2.gz	OFDZSYPWWXZUHZ-UHFFFAOYSA-N	-1	0	274.298	0.254	20	30		CCEDRM
Cn1ncc(C(=O)N(CC#N)CC(=O)[O-])c1C(F)F	ZINC000739060540	582099840	/nfs/dbraw/zinc/09/98/40/582099840.db2.gz	WQKVUNUDVSYTBY-UHFFFAOYSA-N	-1	0	272.211	0.408	20	30		CCEDRM
N#CC1(NS(=O)(=O)c2ccc(OCC(=O)[O-])cc2)CC1	ZINC000739065863	582100160	/nfs/dbraw/zinc/10/01/60/582100160.db2.gz	CWNRBUXPAXNIOZ-UHFFFAOYSA-N	-1	0	296.304	0.484	20	30		CCEDRM
N#CCN(CC(=O)[O-])C(=O)Cn1c(=O)[nH]c2ccccc21	ZINC000739078263	582101565	/nfs/dbraw/zinc/10/15/65/582101565.db2.gz	CNIUSHWGGOOPBO-UHFFFAOYSA-N	-1	0	288.263	0.179	20	30		CCEDRM
N#CCN(CC(=O)[O-])C(=O)c1cc(Cl)ccn1	ZINC000739078591	582101642	/nfs/dbraw/zinc/10/16/42/582101642.db2.gz	JTTNFNYWVKYDTG-UHFFFAOYSA-N	-1	0	253.645	0.785	20	30		CCEDRM
N#CCN(CC(=O)[O-])C(=O)c1cccc(NC(N)=O)c1	ZINC000739088464	582102168	/nfs/dbraw/zinc/10/21/68/582102168.db2.gz	VEGZYUAOGOUARM-UHFFFAOYSA-N	-1	0	276.252	0.228	20	30		CCEDRM
CN1C(=O)CN(N=Cc2cc([N+](=O)[O-])ccc2[O-])C1=O	ZINC000768384361	582106137	/nfs/dbraw/zinc/10/61/37/582106137.db2.gz	DYGITUNVUCKYBE-UHFFFAOYSA-N	-1	0	278.224	0.528	20	30		CCEDRM
CCC(C#N)(CC)C(=O)[N-]S(=O)(=O)[C@@H](C)COC	ZINC000860548153	614470868	/nfs/dbraw/zinc/47/08/68/614470868.db2.gz	YQRKZSXCTSQZGO-VIFPVBQESA-N	-1	0	276.358	0.797	20	30		CCEDRM
C#CCCCNC(=O)N1CCN(C(=O)[O-])C[C@@H]1C	ZINC000823444371	612981422	/nfs/dbraw/zinc/98/14/22/612981422.db2.gz	HIVRVGFQRSXLMR-JTQLQIEISA-N	-1	0	253.302	0.794	20	30		CCEDRM
N#C[C@@H]1CCC[C@@H]1NS(=O)(=O)CCCC(=O)[O-]	ZINC000061890077	601476717	/nfs/dbraw/zinc/47/67/17/601476717.db2.gz	YQPIMCOPJSVNRS-IUCAKERBSA-N	-1	0	260.315	0.463	20	30		CCEDRM
N#CCCn1ccc(NC(=O)NCCC(=O)[O-])n1	ZINC000819090887	597180756	/nfs/dbraw/zinc/18/07/56/597180756.db2.gz	JXBLERRSMOYRHE-UHFFFAOYSA-N	-1	0	251.246	0.393	20	30		CCEDRM
N#CC1(NC(=O)CSCC(=O)[O-])CCSCC1	ZINC000821319920	597396551	/nfs/dbraw/zinc/39/65/51/597396551.db2.gz	AMCYEWJCRWOKOA-UHFFFAOYSA-N	-1	0	274.367	0.710	20	30		CCEDRM
C[C@H](C(=O)[O-])N(C)CC(=O)Nc1ccc(C#N)cc1	ZINC000054070507	597472593	/nfs/dbraw/zinc/47/25/93/597472593.db2.gz	ANMOHPYRYUXMOX-SECBINFHSA-N	-1	0	261.281	0.902	20	30		CCEDRM
Cc1cc(NC(=O)[C@](C)(C#N)CC(=O)[O-])cn(C)c1=O	ZINC000821008289	597603200	/nfs/dbraw/zinc/60/32/00/597603200.db2.gz	AKCZXHMQDVDIHA-ZDUSSCGKSA-N	-1	0	277.280	0.637	20	30		CCEDRM
C[C@@H]1C[C@H](NC(=O)[C@@](C)(C#N)CC(=O)[O-])CCO1	ZINC000820228885	597607882	/nfs/dbraw/zinc/60/78/82/597607882.db2.gz	WPYKSBXMPCWFFS-KBVBSXBZSA-N	-1	0	254.286	0.675	20	30		CCEDRM
C[C@@](C#N)(CC(=O)[O-])C(=O)OCC1CCOCC1	ZINC000819865695	597621471	/nfs/dbraw/zinc/62/14/71/597621471.db2.gz	NLYMOYFKKVRFCB-LBPRGKRZSA-N	-1	0	255.270	0.961	20	30		CCEDRM
C[C@@](C#N)(CC(=O)[O-])C(=O)NC[C@@H](O)c1ccc(F)cc1	ZINC000819834001	597632625	/nfs/dbraw/zinc/63/26/25/597632625.db2.gz	LJRZJTMDLXLACC-RISCZKNCSA-N	-1	0	294.282	0.980	20	30		CCEDRM
C[C@](C#N)(CC(=O)[O-])C(=O)NC[C@@H](CO)Cc1ccco1	ZINC000819832465	597632945	/nfs/dbraw/zinc/63/29/45/597632945.db2.gz	BJFUVNJNTZHDGN-IINYFYTJSA-N	-1	0	294.307	0.551	20	30		CCEDRM
C[C@@H](Cn1cccn1)NC(=O)[C@](C)(C#N)CC(=O)[O-]	ZINC000820106895	597633453	/nfs/dbraw/zinc/63/34/53/597633453.db2.gz	BSGPUTPXHWPDHA-CABZTGNLSA-N	-1	0	264.285	0.392	20	30		CCEDRM
Cn1ccnc1CNC(=O)[C@@](C)(C#N)CC(=O)[O-]	ZINC000821304714	597645038	/nfs/dbraw/zinc/64/50/38/597645038.db2.gz	CQTSYZAXTKGSQH-LLVKDONJSA-N	-1	0	250.258	0.041	20	30		CCEDRM
C[C@](C#N)(CC(=O)[O-])C(=O)NCCOC[C@H]1CCCO1	ZINC000819841889	597646949	/nfs/dbraw/zinc/64/69/49/597646949.db2.gz	GLDVCVNKNQAQJG-ZWNOBZJWSA-N	-1	0	284.312	0.303	20	30		CCEDRM
Cc1cnn(CCNC(=O)[C@](C)(C#N)CC(=O)[O-])c1	ZINC000821147183	597648913	/nfs/dbraw/zinc/64/89/13/597648913.db2.gz	ZOLSPMCRFWKPFR-LBPRGKRZSA-N	-1	0	264.285	0.312	20	30		CCEDRM
C[C@@](C#N)(CC(=O)[O-])C(=O)NCc1cccc(=O)[nH]1	ZINC000819841732	597670935	/nfs/dbraw/zinc/67/09/35/597670935.db2.gz	CLHBUHIQHSAUPU-LBPRGKRZSA-N	-1	0	263.253	0.408	20	30		CCEDRM
N#Cc1ccc([C@H](O)C(=O)NCCCCC(=O)[O-])cc1	ZINC000821329737	597671383	/nfs/dbraw/zinc/67/13/83/597671383.db2.gz	IFTHZZRHLMZEBB-ZDUSSCGKSA-N	-1	0	276.292	0.963	20	30		CCEDRM
C[C@@](C#N)(CC(=O)[O-])C(=O)NC1CCC(CO)CC1	ZINC000819823312	597735156	/nfs/dbraw/zinc/73/51/56/597735156.db2.gz	SRDKZGPJTKTUSC-ZPPKWKGLSA-N	-1	0	268.313	0.658	20	30		CCEDRM
C[C@](C#N)(CC(=O)[O-])C(=O)NCC[C@@H]1CCOC1	ZINC000819835887	597816761	/nfs/dbraw/zinc/81/67/61/597816761.db2.gz	YLISYMRHPMHGJK-BXKDBHETSA-N	-1	0	254.286	0.534	20	30		CCEDRM
N#Cc1csc(CN2CCO[C@H](C(=O)[O-])C2)c1	ZINC000821345324	598125314	/nfs/dbraw/zinc/12/53/14/598125314.db2.gz	WICBOVDIOKQSJT-JTQLQIEISA-N	-1	0	252.295	0.905	20	30		CCEDRM
O=C([O-])C1CCC(=NNC2CCS(=O)(=O)CC2)CC1	ZINC000821483571	598195869	/nfs/dbraw/zinc/19/58/69/598195869.db2.gz	MPNWQASIWVYEHF-UHFFFAOYSA-N	-1	0	288.369	0.784	20	30		CCEDRM
C[C@@H]1CN(C(=O)[C@@](C)(C#N)CC(=O)[O-])[C@@H](C)CO1	ZINC000820246060	598223703	/nfs/dbraw/zinc/22/37/03/598223703.db2.gz	RNOFGOJPZJIQSD-YGOYTEALSA-N	-1	0	254.286	0.627	20	30		CCEDRM
Cn1cc([C@@H]2CCN(C(=O)[C@@](C)(C#N)CC(=O)[O-])C2)cn1	ZINC000821287538	598228115	/nfs/dbraw/zinc/22/81/15/598228115.db2.gz	OYXZTLXCAKHVIS-QMTHXVAHSA-N	-1	0	290.323	0.741	20	30		CCEDRM
C[C@](C#N)(CC(=O)[O-])C(=O)N1CC[C@]2(CCOC2)C1	ZINC000819811089	598229896	/nfs/dbraw/zinc/22/98/96/598229896.db2.gz	JTRJUCDOLWFOOQ-OLZOCXBDSA-N	-1	0	266.297	0.630	20	30		CCEDRM
C#CCO[N-]C(=O)[C@@H](NC(=O)N1CCCC1)[C@@H](C)CC	ZINC000855603934	612992300	/nfs/dbraw/zinc/99/23/00/612992300.db2.gz	VMZOHVAVWCMBEY-RYUDHWBXSA-N	-1	0	281.356	0.888	20	30		CCEDRM
C#CCO[N-]C(=O)Cn1cccc(C(F)(F)F)c1=O	ZINC000812785971	612992272	/nfs/dbraw/zinc/99/22/72/612992272.db2.gz	VALHLWDFODKICQ-UHFFFAOYSA-N	-1	0	274.198	0.548	20	30		CCEDRM
C#CCO[C@H](C)C(=O)N1CC[C@H](C(=O)[O-])C[C@@H]1C	ZINC000923155621	613000511	/nfs/dbraw/zinc/00/05/11/613000511.db2.gz	OWXXGPWFEWLAEF-AXFHLTTASA-N	-1	0	253.298	0.736	20	30		CCEDRM
C#CCO[C@H](C)C(=O)N1C[C@H](OC)C[C@]1(C)C(=O)[O-]	ZINC000910268458	613001020	/nfs/dbraw/zinc/00/10/20/613001020.db2.gz	WMAVHXCQUZHHPL-GIPNMCIBSA-N	-1	0	269.297	0.115	20	30		CCEDRM
C#CC(=O)NC[C@@H](Oc1ccc(F)cc1)C(=O)[O-]	ZINC000833360950	612945675	/nfs/dbraw/zinc/94/56/75/612945675.db2.gz	UAZFUNIJHFAJEC-SNVBAGLBSA-N	-1	0	251.213	0.407	20	30		CCEDRM
C#CCSCC(=O)N1CCC[C@H](c2n[nH]c(=O)[n-]2)C1	ZINC000897677341	613009842	/nfs/dbraw/zinc/00/98/42/613009842.db2.gz	MIESSGQNPXAHAO-VIFPVBQESA-N	-1	0	280.353	0.583	20	30		CCEDRM
N#CCN(CC(=O)[O-])C(=O)c1cc(=O)c2ccccc2o1	ZINC000739079180	600407640	/nfs/dbraw/zinc/40/76/40/600407640.db2.gz	SRNAMFFJICKCLU-UHFFFAOYSA-N	-1	0	286.243	0.843	20	30		CCEDRM
N#CCN(CC(=O)[O-])C(=O)CN1Cc2ccccc2C1=O	ZINC000739079189	600407875	/nfs/dbraw/zinc/40/78/75/600407875.db2.gz	SWZNOBLQYKRJEG-UHFFFAOYSA-N	-1	0	287.275	0.079	20	30		CCEDRM
N#C[C@@H]1CN(C(=S)NCCCC(=O)[O-])CCN1C1CC1	ZINC000739069244	600446494	/nfs/dbraw/zinc/44/64/94/600446494.db2.gz	OFPZDOVEPPCSOD-LLVKDONJSA-N	-1	0	296.396	0.398	20	30		CCEDRM
C#CCOc1ccc(C(=O)OCC(=O)NCC(=O)[O-])cc1	ZINC000819706030	600691863	/nfs/dbraw/zinc/69/18/63/600691863.db2.gz	IYZDZHXWQIMHOA-UHFFFAOYSA-N	-1	0	291.259	0.056	20	30		CCEDRM
N#CCN(C1CC1)S(=O)(=O)c1c[nH]c(C(=O)[O-])c1	ZINC000833066471	600727122	/nfs/dbraw/zinc/72/71/22/600727122.db2.gz	ZVYDKTGCZUTMFO-UHFFFAOYSA-N	-1	0	269.282	0.390	20	30		CCEDRM
N#CCNC(=O)COC(=O)c1ccc(NC(=O)[O-])c(O)c1	ZINC000833066549	600728978	/nfs/dbraw/zinc/72/89/78/600728978.db2.gz	AYHFJQAUWUQIRR-UHFFFAOYSA-N	-1	0	293.235	0.279	20	30		CCEDRM
N#CCN(CC(=O)[O-])CC(=O)NC(C1CC1)C1CC1	ZINC000833065736	601004159	/nfs/dbraw/zinc/00/41/59/601004159.db2.gz	HBVIFLSESPGIAV-UHFFFAOYSA-N	-1	0	265.313	0.201	20	30		CCEDRM
N#C[C@@H]1COCCN1CCOc1cccc(C(=O)[O-])c1	ZINC000833062576	601041770	/nfs/dbraw/zinc/04/17/70/601041770.db2.gz	NTGHSDTWSCCEJB-GFCCVEGCSA-N	-1	0	276.292	0.988	20	30		CCEDRM
N#Cc1cc(C#N)c(SC[C@H](O)CC(=O)[O-])nc1N	ZINC000833067930	601207761	/nfs/dbraw/zinc/20/77/61/601207761.db2.gz	JDJDMPMSQWGBBF-MRVPVSSYSA-N	-1	0	278.293	0.335	20	30		CCEDRM
N#CCN(CC(=O)[O-])C[C@@H](O)c1ccc(F)c(F)c1	ZINC000833066805	601226321	/nfs/dbraw/zinc/22/63/21/601226321.db2.gz	JTSVKZPCJOFETQ-LLVKDONJSA-N	-1	0	270.235	0.908	20	30		CCEDRM
Cc1ccccc1CN(C)C(=O)CN(CC#N)CC(=O)[O-]	ZINC000832979495	601226650	/nfs/dbraw/zinc/22/66/50/601226650.db2.gz	OFJMXAXUELFOJT-UHFFFAOYSA-N	-1	0	289.335	0.864	20	30		CCEDRM
C#CCNC(=O)CNc1ccc(F)c(C(=O)[O-])c1	ZINC000825620134	601246574	/nfs/dbraw/zinc/24/65/74/601246574.db2.gz	XAWJZQQVBOZWJB-UHFFFAOYSA-N	-1	0	250.229	0.685	20	30		CCEDRM
C#CCNC(=O)CNc1ccc(C(=O)[O-])c(C(=O)OC)c1	ZINC000825619885	601250804	/nfs/dbraw/zinc/25/08/04/601250804.db2.gz	QYMIFZYQSUTASC-UHFFFAOYSA-N	-1	0	290.275	0.333	20	30		CCEDRM
N#CCN(CC(=O)[O-])C(=O)Cc1cccc(C#N)c1	ZINC000833066434	601286564	/nfs/dbraw/zinc/28/65/64/601286564.db2.gz	YRGOBPCZCHSIDZ-UHFFFAOYSA-N	-1	0	257.249	0.538	20	30		CCEDRM
N#Cc1ccc(C(=O)NC2(CC(=O)[O-])CCOCC2)nc1	ZINC000833070543	601328856	/nfs/dbraw/zinc/32/88/56/601328856.db2.gz	LVRWCPSNDGMXTF-UHFFFAOYSA-N	-1	0	289.291	0.707	20	30		CCEDRM
CC[C@@H](C)[C@@H](NC(=O)CN(C)CCC#N)C(=O)[O-]	ZINC000828707309	601561865	/nfs/dbraw/zinc/56/18/65/601561865.db2.gz	GHBABPDXORXIFU-MWLCHTKSSA-N	-1	0	255.318	0.447	20	30		CCEDRM
N#Cc1cccc([C@@H](Nc2ccn(CCO)n2)C(=O)[O-])c1	ZINC000833076356	601603900	/nfs/dbraw/zinc/60/39/00/601603900.db2.gz	UMQJNRGUJXHCJV-CYBMUJFWSA-N	-1	0	286.291	0.985	20	30		CCEDRM
N#Cc1ccccc1OCC(=O)N[C@@]1(C(=O)[O-])CCOC1	ZINC000085851436	601722398	/nfs/dbraw/zinc/72/23/98/601722398.db2.gz	FVNTVVJVAWLQNA-AWEZNQCLSA-N	-1	0	290.275	0.297	20	30		CCEDRM
N#Cc1ccc(CC(=O)N[C@]2(C(=O)[O-])CCOC2)cc1	ZINC000704663632	601724746	/nfs/dbraw/zinc/72/47/46/601724746.db2.gz	ABNMCBYXPRKCKF-CQSZACIVSA-N	-1	0	274.276	0.461	20	30		CCEDRM
N#CCCN(CC(=O)NCC(=O)[O-])Cc1ccco1	ZINC000821320767	601799174	/nfs/dbraw/zinc/79/91/74/601799174.db2.gz	XIEXQPATEXJHJF-UHFFFAOYSA-N	-1	0	265.269	0.196	20	30		CCEDRM
C#CCNC(=O)[C@@H](C)OC(=O)[C@@H](NC(=O)[O-])C(C)(C)C	ZINC000823455262	612948848	/nfs/dbraw/zinc/94/88/48/612948848.db2.gz	BIIZFBHHXQCJCI-RKDXNWHRSA-N	-1	0	284.312	0.350	20	30		CCEDRM
N#Cc1ccc([C@@H](O)CN2CCO[C@@H](CC(=O)[O-])C2)cc1	ZINC000833071759	602018743	/nfs/dbraw/zinc/01/87/43/602018743.db2.gz	IJEQFVCGPMVUSA-KBPBESRZSA-N	-1	0	290.319	0.767	20	30		CCEDRM
C#CCSCCNC(=O)NC(C)(C)CNC(=O)[O-]	ZINC000823467234	613016650	/nfs/dbraw/zinc/01/66/50/613016650.db2.gz	SKQQWRNQUKEMNT-UHFFFAOYSA-N	-1	0	273.358	0.698	20	30		CCEDRM
C[C@@H](CC(=O)[O-])C(=O)NCCNc1ccc(C#N)cn1	ZINC000827291081	602091670	/nfs/dbraw/zinc/09/16/70/602091670.db2.gz	HJPBVZJWSCCRDH-VIFPVBQESA-N	-1	0	276.296	0.592	20	30		CCEDRM
C#CCSCCNC(=O)[C@@H](C)CN(C)C(=O)[O-]	ZINC000823466762	613017707	/nfs/dbraw/zinc/01/77/07/613017707.db2.gz	IBQAFVQIOYDQBB-VIFPVBQESA-N	-1	0	258.343	0.715	20	30		CCEDRM
COc1cc2c(c(C=Nn3c(=O)[n-][nH]c3=O)c1)O[C@@H](C)C2	ZINC000814231375	617179563	/nfs/dbraw/zinc/17/95/63/617179563.db2.gz	DTSULSCPLGWFDB-ZETCQYMHSA-N	-1	0	290.279	0.904	20	30		CCEDRM
COc1cc(C=Nn2c(=O)[n-][nH]c2=O)ccc1OC(C)=O	ZINC000814232322	617179625	/nfs/dbraw/zinc/17/96/25/617179625.db2.gz	QYCZBVSOAXPFPI-UHFFFAOYSA-N	-1	0	292.251	0.505	20	30		CCEDRM
C[C@@H](CC(=O)Nc1ccn(CCC#N)n1)NC(=O)[O-]	ZINC000824711108	602959774	/nfs/dbraw/zinc/95/97/74/602959774.db2.gz	QGKPNMIVVRAZAX-QMMMGPOBSA-N	-1	0	265.273	0.781	20	30		CCEDRM
Cc1ccc(C#N)cc1S(=O)(=O)NCCN(C)C(=O)[O-]	ZINC000740106474	603237875	/nfs/dbraw/zinc/23/78/75/603237875.db2.gz	QOHMFASFBQARLH-UHFFFAOYSA-N	-1	0	297.336	0.755	20	30		CCEDRM
N#Cc1cccc(CNC(=O)[C@H]2C[C@H](O)CN2C(=O)[O-])c1	ZINC000831146434	603575636	/nfs/dbraw/zinc/57/56/36/603575636.db2.gz	PBUBYMCZRFYAKY-NWDGAFQWSA-N	-1	0	289.291	0.288	20	30		CCEDRM
CS[C@@H](C)C(=O)N1CCN(C(=O)[O-])C[C@H]1C#N	ZINC000829703253	603595721	/nfs/dbraw/zinc/59/57/21/603595721.db2.gz	FPLLVMXRGCWVSY-JGVFFNPUSA-N	-1	0	257.315	0.452	20	30		CCEDRM
N#Cc1ccc(C(=O)N2CCN(C(=O)[O-])C[C@H]2C#N)nc1	ZINC000831122469	603599084	/nfs/dbraw/zinc/59/90/84/603599084.db2.gz	IOTZANAZDMLKFZ-SNVBAGLBSA-N	-1	0	285.263	0.281	20	30		CCEDRM
Cc1cc(C(=O)N2CCN(C(=O)[O-])C[C@@H]2C#N)nn1C	ZINC000829930197	603601430	/nfs/dbraw/zinc/60/14/30/603601430.db2.gz	KTHVRHIADNWRLH-VIFPVBQESA-N	-1	0	277.284	0.057	20	30		CCEDRM
N#Cc1ccc(F)c(CNC(=O)NC2CN(C(=O)[O-])C2)c1	ZINC000831132331	603640954	/nfs/dbraw/zinc/64/09/54/603640954.db2.gz	UVNOPUZENLJZJX-UHFFFAOYSA-N	-1	0	292.270	0.859	20	30		CCEDRM
N#C[C@@H]1CN(C(=O)[O-])CCN1Cc1nnsc1Cl	ZINC000831092083	603726185	/nfs/dbraw/zinc/72/61/85/603726185.db2.gz	PKNMYQOEDLNJIG-ZCFIWIBFSA-N	-1	0	287.732	0.879	20	30		CCEDRM
N#C[C@H]1CN(C(=O)[O-])CCN1CCOCC(F)(F)F	ZINC000831091652	603729881	/nfs/dbraw/zinc/72/98/81/603729881.db2.gz	JNKXOTWEDWVWIF-QMMMGPOBSA-N	-1	0	281.234	0.753	20	30		CCEDRM
C#Cc1ccc(C(=O)O[C@@H]2CN(C(=O)[O-])CCC2=O)cn1	ZINC000823466984	603803928	/nfs/dbraw/zinc/80/39/28/603803928.db2.gz	OFNWNVNNZYTBQV-GFCCVEGCSA-N	-1	0	288.259	0.541	20	30		CCEDRM
N#Cc1cccc(C(=O)Cn2cnc(-c3nnn[n-]3)n2)c1	ZINC000826386382	607657176	/nfs/dbraw/zinc/65/71/76/607657176.db2.gz	BLPBKFOXPIRMMG-UHFFFAOYSA-N	-1	0	280.251	0.213	20	30		CCEDRM
N#CCN1CCC(NC(=O)[C@]2(F)CCN(C(=O)[O-])C2)CC1	ZINC000831102809	603886849	/nfs/dbraw/zinc/88/68/49/603886849.db2.gz	VFRORKXLWKSVJK-ZDUSSCGKSA-N	-1	0	298.318	0.183	20	30		CCEDRM
C[C@@H](CC(=O)OCC(=O)N(C)C(C)(C)C#N)NC(=O)[O-]	ZINC000824722341	603968547	/nfs/dbraw/zinc/96/85/47/603968547.db2.gz	WUJAPSPKDQVTFU-QMMMGPOBSA-N	-1	0	285.300	0.336	20	30		CCEDRM
N#C[C@H](NC(=O)[C@H]1CC[C@H](NC(=O)[O-])C1)C1CC1	ZINC000831070866	603975984	/nfs/dbraw/zinc/97/59/84/603975984.db2.gz	UAYXULJYHRDXJZ-GUBZILKMSA-N	-1	0	251.286	0.841	20	30		CCEDRM
N#C[C@@H]1CCC[C@@H]1NC(=O)[C@@H]1CCCN1C(=O)[O-]	ZINC000831076590	604030114	/nfs/dbraw/zinc/03/01/14/604030114.db2.gz	PKGCKRSEUTXIEP-GUBZILKMSA-N	-1	0	251.286	0.937	20	30		CCEDRM
Cc1cc(OCC(=O)N2CCN(C(=O)[O-])C[C@@H]2C#N)no1	ZINC000830129606	604065664	/nfs/dbraw/zinc/06/56/64/604065664.db2.gz	UIHJAVODLCCVAU-VIFPVBQESA-N	-1	0	294.267	0.076	20	30		CCEDRM
Cc1ccncc1C(=O)N1CCN(C(=O)[O-])C[C@@H]1C#N	ZINC000830611931	604067354	/nfs/dbraw/zinc/06/73/54/604067354.db2.gz	QNBJJZXSVGQMMJ-JTQLQIEISA-N	-1	0	274.280	0.718	20	30		CCEDRM
N#C[C@H]1CN(C(=O)[O-])CCN1C(=O)[C@H]1CCCOC1	ZINC000831076457	604071484	/nfs/dbraw/zinc/07/14/84/604071484.db2.gz	MTYPSRIPWBITDS-UWVGGRQHSA-N	-1	0	267.285	0.127	20	30		CCEDRM
Cc1n[nH]cc1C(=O)N1CCN(C(=O)[O-])C[C@H]1C#N	ZINC000829833013	604076347	/nfs/dbraw/zinc/07/63/47/604076347.db2.gz	DMVFCXIBVPSKPL-MRVPVSSYSA-N	-1	0	263.257	0.046	20	30		CCEDRM
C[C@H](C(=O)N1CCN(C(=O)[O-])C[C@H]1C#N)c1cnn(C)c1	ZINC000823668977	604079285	/nfs/dbraw/zinc/07/92/85/604079285.db2.gz	JZGLBIRRKVMSKZ-GXSJLCMTSA-N	-1	0	291.311	0.238	20	30		CCEDRM
Cc1cccnc1C(=O)N1CCN(C(=O)[O-])C[C@H]1C#N	ZINC000830595799	604083141	/nfs/dbraw/zinc/08/31/41/604083141.db2.gz	UKGBZJGLTXPCFY-SNVBAGLBSA-N	-1	0	274.280	0.718	20	30		CCEDRM
N#C[C@H]1CN(C(=O)[O-])CCN1C(=O)CCC1CCOCC1	ZINC000831081822	604088683	/nfs/dbraw/zinc/08/86/83/604088683.db2.gz	APLWTHQJFQQXRK-LBPRGKRZSA-N	-1	0	295.339	0.908	20	30		CCEDRM
Cn1cc(C#N)c(NC(=O)N2CCC(NC(=O)[O-])CC2)n1	ZINC000830985099	604154925	/nfs/dbraw/zinc/15/49/25/604154925.db2.gz	LEZQCXKZUQYPIZ-UHFFFAOYSA-N	-1	0	292.299	0.556	20	30		CCEDRM
C[C@H](CN(C)C(=O)[O-])C(=O)[C@@H](C#N)C(=O)NC1CC1	ZINC000824822494	604252816	/nfs/dbraw/zinc/25/28/16/604252816.db2.gz	AKQYRXVBIMETDC-VXNVDRBHSA-N	-1	0	267.285	0.220	20	30		CCEDRM
N#C[C@@H](NC(=O)[C@H]1CN(C(=O)[O-])CCO1)C1CCCCC1	ZINC000831071121	604274157	/nfs/dbraw/zinc/27/41/57/604274157.db2.gz	YMBINKUWLGRSFJ-VXGBXAGGSA-N	-1	0	295.339	0.954	20	30		CCEDRM
Cc1cc(=O)[nH]cc1C(=O)N1CCN(C(=O)[O-])C[C@H]1C#N	ZINC000829893971	604308260	/nfs/dbraw/zinc/30/82/60/604308260.db2.gz	LPMQXTFADYUPMB-SECBINFHSA-N	-1	0	290.279	0.424	20	30		CCEDRM
Cc1ccc(NC(=O)Cn2cnc(C#N)n2)c(C(=O)[O-])c1	ZINC000832944595	604308560	/nfs/dbraw/zinc/30/85/60/604308560.db2.gz	ICWFIKZIEKDTTJ-UHFFFAOYSA-N	-1	0	285.263	0.795	20	30		CCEDRM
N#CCN1CCN(C(=O)c2ccc(C(=O)[O-])c(F)c2)CC1	ZINC000833067064	604320150	/nfs/dbraw/zinc/32/01/50/604320150.db2.gz	OZFNHGLUGLOLPH-UHFFFAOYSA-N	-1	0	291.282	0.805	20	30		CCEDRM
N#C[C@@H]1CN(C(=O)[O-])CCN1C(=O)Cc1ccc(O)cc1	ZINC000831082555	604486644	/nfs/dbraw/zinc/48/66/44/604486644.db2.gz	NUURQFAMOBKXCG-LLVKDONJSA-N	-1	0	289.291	0.649	20	30		CCEDRM
N#CCN1CCC(CNC(=O)C2(NC(=O)[O-])CC2)CC1	ZINC000831097099	604502777	/nfs/dbraw/zinc/50/27/77/604502777.db2.gz	CWHXJYGHZTWPOQ-UHFFFAOYSA-N	-1	0	280.328	0.138	20	30		CCEDRM
N#CCN1CCC(NC(=O)N2CCC[C@@H]2CC(=O)[O-])CC1	ZINC000833067046	604513340	/nfs/dbraw/zinc/51/33/40/604513340.db2.gz	OHMXBDXXFUSBNV-GFCCVEGCSA-N	-1	0	294.355	0.623	20	30		CCEDRM
C[C@H](CC#N)NS(=O)(=O)c1ccc(C(=O)[O-])nc1	ZINC000833516461	604691884	/nfs/dbraw/zinc/69/18/84/604691884.db2.gz	XHHOQPODEIZWPW-SSDOTTSWSA-N	-1	0	269.282	0.360	20	30		CCEDRM
CC1CC(C#N)(C(=O)N2CCC(O)(C(=O)[O-])CC2)C1	ZINC000833592150	604752360	/nfs/dbraw/zinc/75/23/60/604752360.db2.gz	JTKMHTRWUFRNSN-UHFFFAOYSA-N	-1	0	266.297	0.364	20	30		CCEDRM
C#CC[C@@H](NC(=O)[C@@H]1C[C@H]1c1cncn1C)C(=O)[O-]	ZINC000910050255	613040932	/nfs/dbraw/zinc/04/09/32/613040932.db2.gz	HTKZAGGKCGACFC-OPRDCNLKSA-N	-1	0	261.281	0.116	20	30		CCEDRM
N#CC1(NC(=O)[C@@H]2CN(C(=O)[O-])CCO2)CCCCC1	ZINC000831070239	604799183	/nfs/dbraw/zinc/79/91/83/604799183.db2.gz	HQSIHULEQILXBG-JTQLQIEISA-N	-1	0	281.312	0.708	20	30		CCEDRM
C#CC[C@@H](NC(=O)c1ccnn1CC(C)C)C(=O)[O-]	ZINC000910046332	613042004	/nfs/dbraw/zinc/04/20/04/613042004.db2.gz	MQMRNHUYQCVQMQ-SNVBAGLBSA-N	-1	0	263.297	0.745	20	30		CCEDRM
C[C@H]1CN(C(=O)NCC(C)(C)C#N)C[C@H]1C(=O)[O-]	ZINC000833622753	605121844	/nfs/dbraw/zinc/12/18/44/605121844.db2.gz	NZTWWZIRDMRJCK-DTWKUNHWSA-N	-1	0	253.302	0.898	20	30		CCEDRM
N#Cc1c[nH]c(C(=O)NC[C@H]2CCN(C(=O)[O-])C2)c1	ZINC000833970565	605311164	/nfs/dbraw/zinc/31/11/64/605311164.db2.gz	VJVMDLAIQIBKNX-MRVPVSSYSA-N	-1	0	262.269	0.616	20	30		CCEDRM
Cc1cc(NC(=O)NCCCNC(=O)[O-])nn1CCC#N	ZINC000833900564	605342897	/nfs/dbraw/zinc/34/28/97/605342897.db2.gz	RAWVEUPHBVUVLR-UHFFFAOYSA-N	-1	0	294.315	0.884	20	30		CCEDRM
C[C@]1(C#N)CCCN(CN2C[C@H](C(=O)[O-])CC2=O)C1	ZINC000833551614	605351069	/nfs/dbraw/zinc/35/10/69/605351069.db2.gz	RBJRZBSPAPFQAH-ZWNOBZJWSA-N	-1	0	265.313	0.503	20	30		CCEDRM
N#Cc1ncn(CC(=O)Oc2cccc(NC(=O)[O-])c2)n1	ZINC000831161503	605378484	/nfs/dbraw/zinc/37/84/84/605378484.db2.gz	CMCZUEFABZCXJX-UHFFFAOYSA-N	-1	0	287.235	0.845	20	30		CCEDRM
O=C([O-])NCCC=NNS(=O)(=O)c1ccccc1	ZINC000832605182	605459622	/nfs/dbraw/zinc/45/96/22/605459622.db2.gz	KYSBZXCINRWTRU-UHFFFAOYSA-N	-1	0	271.298	0.608	20	30		CCEDRM
N#C[C@H](NC(=O)[C@@H]1CCC[C@@H]1NC(=O)[O-])C1CC1	ZINC000833961351	605461636	/nfs/dbraw/zinc/46/16/36/605461636.db2.gz	QNEACYAPXMXDQF-UTLUCORTSA-N	-1	0	251.286	0.841	20	30		CCEDRM
N#Cc1cccc(-c2c[nH]c(CNC(=O)CNC(=O)[O-])n2)c1	ZINC000831141419	605520644	/nfs/dbraw/zinc/52/06/44/605520644.db2.gz	ICGOZKTXYWZNCL-UHFFFAOYSA-N	-1	0	299.290	0.832	20	30		CCEDRM
C[C@H]1C[C@@H](NC(=O)[O-])CCN1S(=O)(=O)CCCC#N	ZINC000825845889	605530345	/nfs/dbraw/zinc/53/03/45/605530345.db2.gz	RIWDBFXKFKCTCT-UWVGGRQHSA-N	-1	0	289.357	0.740	20	30		CCEDRM
N#Cc1cc(COC(=O)[C@H]2C[C@@H](O)CN2C(=O)[O-])ccn1	ZINC000833970962	605652943	/nfs/dbraw/zinc/65/29/43/605652943.db2.gz	ZGFYWXZVAJRSRM-GHMZBOCLSA-N	-1	0	291.263	0.110	20	30		CCEDRM
C#CCCNC(=O)N1C[C@H](C)N(C(=O)[O-])C[C@H]1C	ZINC000833787484	613047327	/nfs/dbraw/zinc/04/73/27/613047327.db2.gz	QNHSBFJLZWJNCZ-ZJUUUORDSA-N	-1	0	253.302	0.792	20	30		CCEDRM
Cc1onc(CC(=O)N2CC[C@@H](CNC(=O)[O-])C2)c1C#N	ZINC000833936687	605695291	/nfs/dbraw/zinc/69/52/91/605695291.db2.gz	OWBSJGVMMWMESF-VIFPVBQESA-N	-1	0	292.295	0.513	20	30		CCEDRM
Cc1onc(CC(=O)N(C)[C@H](C)CNC(=O)[O-])c1C#N	ZINC000833935748	605695520	/nfs/dbraw/zinc/69/55/20/605695520.db2.gz	ITHQMFBFPQIJNT-SSDOTTSWSA-N	-1	0	280.284	0.512	20	30		CCEDRM
O=C([O-])N1CCOC[C@@H]1[C@@H]1CCCC1=NN1CCOCC1	ZINC000834115504	605739147	/nfs/dbraw/zinc/73/91/47/605739147.db2.gz	FOPOZFYHQWWIPI-DGCLKSJQSA-N	-1	0	297.355	0.854	20	30		CCEDRM
O=C([O-])N[C@@H]1CCCC1=NNC(=S)NC1CC1	ZINC000834169809	605857236	/nfs/dbraw/zinc/85/72/36/605857236.db2.gz	OKBPSQDWSHLOHW-SSDOTTSWSA-N	-1	0	256.331	0.789	20	30		CCEDRM
Cc1nscc1C(=O)N1CCN(C(=O)[O-])C[C@H]1C#N	ZINC000833937446	605871245	/nfs/dbraw/zinc/87/12/45/605871245.db2.gz	WTVBVFNHGZUYSQ-MRVPVSSYSA-N	-1	0	280.309	0.780	20	30		CCEDRM
N#C[C@@H]1CN(C(=O)CCCCNC(=O)[O-])CCN1C1CC1	ZINC000833967160	605897427	/nfs/dbraw/zinc/89/74/27/605897427.db2.gz	PYQWNEIMPKBENL-GFCCVEGCSA-N	-1	0	294.355	0.623	20	30		CCEDRM
N#CCSCC(=O)NC[C@H](NC(=O)[O-])C1CC1	ZINC000833968638	605915489	/nfs/dbraw/zinc/91/54/89/605915489.db2.gz	VCBPDJOFPPHLFG-QMMMGPOBSA-N	-1	0	257.315	0.406	20	30		CCEDRM
N#C[C@@H]1CN(C(=O)[O-])CCN1C(=O)[C@H](O)c1ccccc1	ZINC000831076694	605966121	/nfs/dbraw/zinc/96/61/21/605966121.db2.gz	RBFFGOPNMNEHML-VXGBXAGGSA-N	-1	0	289.291	0.434	20	30		CCEDRM
N#C[C@@H](NC(=O)[C@@H](CC(F)F)NC(=O)[O-])C1CC1	ZINC000833960165	606043754	/nfs/dbraw/zinc/04/37/54/606043754.db2.gz	GNGGXQCYXMPJOU-RNFRBKRXSA-N	-1	0	261.228	0.696	20	30		CCEDRM
N#CC1(NC(=O)[C@@H]2CN(C(=O)[O-])CCO2)CCSCC1	ZINC000833963197	606072745	/nfs/dbraw/zinc/07/27/45/606072745.db2.gz	IMNPOAWSLNIZBO-VIFPVBQESA-N	-1	0	299.352	0.271	20	30		CCEDRM
N#CC1(OC(=O)CCOC2CN(C(=O)[O-])C2)CCC1	ZINC000833963901	606111798	/nfs/dbraw/zinc/11/17/98/606111798.db2.gz	WABUZWLYZJGOBN-UHFFFAOYSA-N	-1	0	268.269	0.745	20	30		CCEDRM
C#CCCS(=O)(=O)[N-]C(=O)C1(OCC)CCC1	ZINC000850999432	613052778	/nfs/dbraw/zinc/05/27/78/613052778.db2.gz	DZYGHMMWCAVILQ-UHFFFAOYSA-N	-1	0	259.327	0.415	20	30		CCEDRM
C#CCCS(=O)(=O)[N-]C(=O)[C@H]1C[C@@H](C(C)=O)C1(C)C	ZINC000788071307	613053304	/nfs/dbraw/zinc/05/33/04/613053304.db2.gz	ORKHCOIXDIINTO-WDEREUQCSA-N	-1	0	285.365	0.707	20	30		CCEDRM
N#Cc1c(-c2nnn[n-]2)nc(N)n1C/C(Cl)=C\Cl	ZINC000822814568	606867079	/nfs/dbraw/zinc/86/70/79/606867079.db2.gz	JKSSEGATBQNFHR-DAFODLJHSA-N	-1	0	285.098	0.836	20	30		CCEDRM
C#CC[C@H](NC(=O)c1cnn(C(C)C)c1C)C(=O)[O-]	ZINC000910047040	613070659	/nfs/dbraw/zinc/07/06/59/613070659.db2.gz	XHLZDXZJIOJKTK-NSHDSACASA-N	-1	0	263.297	0.979	20	30		CCEDRM
C#CCn1ccc(CN(CC)C(=O)[C@@H](C)CC(=O)[O-])n1	ZINC000911721965	613078512	/nfs/dbraw/zinc/07/85/12/613078512.db2.gz	VECDBANIGNMHAV-NSHDSACASA-N	-1	0	277.324	0.976	20	30		CCEDRM
C#C[C@@H](C)NS(=O)(=O)c1cnn(C)c1C(F)(F)F	ZINC000867198268	613082287	/nfs/dbraw/zinc/08/22/87/613082287.db2.gz	HQMNQSQYOIIRRN-ZCFIWIBFSA-N	-1	0	281.259	0.739	20	30		CCEDRM
C#CCC(C)(C)C(=O)[N-]S(=O)(=O)c1cccn1C	ZINC000839066689	612965949	/nfs/dbraw/zinc/96/59/49/612965949.db2.gz	JYOULRMERAWTQD-UHFFFAOYSA-N	-1	0	268.338	0.880	20	30		CCEDRM
COc1cc2c(cc1C=Nn1c(=O)[n-][nH]c1=O)O[C@@H](C)C2	ZINC000814233754	617218251	/nfs/dbraw/zinc/21/82/51/617218251.db2.gz	GLZPSKPJLSKQGZ-ZETCQYMHSA-N	-1	0	290.279	0.904	20	30		CCEDRM
C=CCS(=O)(=O)[N-]C(=O)[C@@H](C)C(=O)OC(C)(C)C	ZINC000842328367	613886249	/nfs/dbraw/zinc/88/62/49/613886249.db2.gz	PHLZAHFOJDFBGU-MRVPVSSYSA-N	-1	0	277.342	0.596	20	30		CCEDRM
CC(C)[C@@H](C#N)NC(=O)CO[C@H]1CCCN(C(=O)[O-])C1	ZINC000824057239	614072335	/nfs/dbraw/zinc/07/23/35/614072335.db2.gz	PSHCFTNDFVZLHP-WDEREUQCSA-N	-1	0	283.328	0.810	20	30		CCEDRM
CC(C)[C@@H](NC(=O)Nc1nn(C)cc1C#N)C(=O)[O-]	ZINC000817943382	614124243	/nfs/dbraw/zinc/12/42/43/614124243.db2.gz	NDQVBDISCMBMCB-MRVPVSSYSA-N	-1	0	265.273	0.522	20	30		CCEDRM
CC(C)[C@H](CNC(=O)C(=O)N1CCC(C#N)CC1)C(=O)[O-]	ZINC000848610217	614208357	/nfs/dbraw/zinc/20/83/57/614208357.db2.gz	RUEXIOXKUJPUAY-NSHDSACASA-N	-1	0	295.339	0.222	20	30		CCEDRM
C#CCOCCC(=O)N(CCC(=O)[O-])C1CCOCC1	ZINC000833363999	612977335	/nfs/dbraw/zinc/97/73/35/612977335.db2.gz	HGVJJOBWMUVLAT-UHFFFAOYSA-N	-1	0	283.324	0.509	20	30		CCEDRM
CC(C)(C#N)CS(=O)(=O)[N-]C(=O)CSC1CC1	ZINC000835274986	614287562	/nfs/dbraw/zinc/28/75/62/614287562.db2.gz	CMLDNJZPPCIZTF-UHFFFAOYSA-N	-1	0	276.383	0.878	20	30		CCEDRM
CC(C)[C@H](O)C1(CNC(=O)[C@@](C)(C#N)CC(=O)[O-])CC1	ZINC000819962911	614254103	/nfs/dbraw/zinc/25/41/03/614254103.db2.gz	XWLFZBBUFYIAMX-WCQYABFASA-N	-1	0	282.340	0.904	20	30		CCEDRM
COc1cccc(C=Nn2c(=O)c(C)n[n-]c2=S)c1O	ZINC000916303505	617295259	/nfs/dbraw/zinc/29/52/59/617295259.db2.gz	JVEFTDNFNMSQHF-UHFFFAOYSA-N	-1	0	292.320	0.832	20	30		CCEDRM
C[C@@H](C#N)CN(C)S(=O)(=O)N[C@H](CC(=O)[O-])C1CC1	ZINC000844789159	617295684	/nfs/dbraw/zinc/29/56/84/617295684.db2.gz	IVWJQABBPVJKJQ-WCBMZHEXSA-N	-1	0	289.357	0.166	20	30		CCEDRM
C[C@@H](C#N)CN(C)S(=O)(=O)N[C@@H](CC(=O)[O-])C1CC1	ZINC000844789162	617295793	/nfs/dbraw/zinc/29/57/93/617295793.db2.gz	IVWJQABBPVJKJQ-WPRPVWTQSA-N	-1	0	289.357	0.166	20	30		CCEDRM
C[C@@H](C#N)CN(C)S(=O)(=O)N[C@@H]1CC=C(C(=O)[O-])C1	ZINC000853069916	617295817	/nfs/dbraw/zinc/29/58/17/617295817.db2.gz	SUOTYPVGEJQIAT-WCBMZHEXSA-N	-1	0	287.341	0.086	20	30		CCEDRM
C[C@@H](C#N)OC(=O)CN(C[C@@H]1CCCO1)C(=O)[O-]	ZINC000823647748	617296625	/nfs/dbraw/zinc/29/66/25/617296625.db2.gz	NHILDGKSSVONMN-IUCAKERBSA-N	-1	0	256.258	0.601	20	30		CCEDRM
C#CCC(C)(C)C(=O)[N-]S(=O)(=O)[C@H](C)COC	ZINC000810585127	612965987	/nfs/dbraw/zinc/96/59/87/612965987.db2.gz	LSMIIPODGDHMIF-SECBINFHSA-N	-1	0	261.343	0.517	20	30		CCEDRM
C#CCCCC(=O)N1CC(n2cc(C#N)c(=O)[n-]c2=O)C1	ZINC000863935379	612974508	/nfs/dbraw/zinc/97/45/08/612974508.db2.gz	YHDRIOIQOMGBIU-UHFFFAOYSA-N	-1	0	286.291	0.007	20	30		CCEDRM
C#CCCCC(=O)N1C[C@H](OC)C[C@@]1(C)C(=O)[O-]	ZINC000910267299	612974978	/nfs/dbraw/zinc/97/49/78/612974978.db2.gz	VYERILIISDKWAR-MFKMUULPSA-N	-1	0	253.298	0.881	20	30		CCEDRM
C#CCOCCC(=O)[N-]S(=O)(=O)[C@@H]1C[C@@H]2CC[C@H]1C2	ZINC000835744679	612980029	/nfs/dbraw/zinc/98/00/29/612980029.db2.gz	VALPTPSSUDOACJ-GRYCIOLGSA-N	-1	0	285.365	0.661	20	30		CCEDRM
C#CCCCNC(=O)N[C@H]1CCCN(C(=O)[O-])C1	ZINC000823444455	612982358	/nfs/dbraw/zinc/98/23/58/612982358.db2.gz	IOWGDIVRJOYMAG-JTQLQIEISA-N	-1	0	253.302	0.841	20	30		CCEDRM
C#CCOCCNC(=O)C(=O)Nc1cccc(C(=O)[O-])c1	ZINC000833366003	612985261	/nfs/dbraw/zinc/98/52/61/612985261.db2.gz	BAIAFOFTMWHAKG-UHFFFAOYSA-N	-1	0	290.275	0.089	20	30		CCEDRM
C#CCOCCOC(=O)[C@H]1CSCN1C(=O)[O-]	ZINC000823463411	612990732	/nfs/dbraw/zinc/99/07/32/612990732.db2.gz	PADNODNJELICAW-MRVPVSSYSA-N	-1	0	259.283	0.232	20	30		CCEDRM
C#CCO[N-]C(=O)CNC(=O)c1cc(F)cc(F)c1	ZINC000812786234	612992067	/nfs/dbraw/zinc/99/20/67/612992067.db2.gz	FKTCDJOEUVGHSJ-UHFFFAOYSA-N	-1	0	268.219	0.376	20	30		CCEDRM
C#CCO[N-]C(=O)CNC(=O)NC1CCCCC1	ZINC000855602969	612992146	/nfs/dbraw/zinc/99/21/46/612992146.db2.gz	HSRKXYOAMWVHJJ-UHFFFAOYSA-N	-1	0	253.302	0.299	20	30		CCEDRM
C#CCO[N-]C(=O)COc1ccc([N+](=O)[O-])c(OC)c1	ZINC000812784661	612992218	/nfs/dbraw/zinc/99/22/18/612992218.db2.gz	BCHUDQCHHWOFGL-UHFFFAOYSA-N	-1	0	280.236	0.663	20	30		CCEDRM
C#CCO[N-]C(=O)Cc1[nH]c(C(C)=O)c(C)c1C(=O)OC	ZINC000855604077	612992338	/nfs/dbraw/zinc/99/23/38/612992338.db2.gz	YIHGMVRSYDDNQZ-UHFFFAOYSA-N	-1	0	292.291	0.536	20	30		CCEDRM
C#CCO[N-]C(=O)[C@H](C[C@@H]1COCCO1)C(F)(F)F	ZINC000855605890	612992926	/nfs/dbraw/zinc/99/29/26/612992926.db2.gz	BFRNGFZYKUZZJO-BDAKNGLRSA-N	-1	0	281.230	0.651	20	30		CCEDRM
C#CCO[N-]C(=O)[C@H](C)c1ccc(S(C)(=O)=O)cc1	ZINC000812786130	612993109	/nfs/dbraw/zinc/99/31/09/612993109.db2.gz	ALCLTEQMDKUVEB-SNVBAGLBSA-N	-1	0	281.333	0.875	20	30		CCEDRM
C#CCO[N-]C(=O)[C@](C)(O)CN1Cc2ccccc2C1=O	ZINC000855607173	612993270	/nfs/dbraw/zinc/99/32/70/612993270.db2.gz	XTPAQPDGAOCAJF-OAHLLOKOSA-N	-1	0	288.303	0.074	20	30		CCEDRM
C#CCO[C@@H](C)C(=O)NCCOc1ccc(C(=O)[O-])cc1	ZINC000909437686	612996313	/nfs/dbraw/zinc/99/63/13/612996313.db2.gz	DDAAIPCOVSKSKC-NSHDSACASA-N	-1	0	291.303	0.918	20	30		CCEDRM
C#CCO[C@H](C)C(=O)N1CCSC[C@H](C(=O)[O-])C1	ZINC000910147012	613000096	/nfs/dbraw/zinc/00/00/96/613000096.db2.gz	IJMNLDMFLYUNNY-NXEZZACHSA-N	-1	0	271.338	0.301	20	30		CCEDRM
C#CCO[C@H](C)C(=O)N1CC[C@H](C)C[C@@H]1C(=O)[O-]	ZINC000909777572	613000430	/nfs/dbraw/zinc/00/04/30/613000430.db2.gz	HUZFMBXCFDSLGN-HBNTYKKESA-N	-1	0	253.298	0.736	20	30		CCEDRM
C#CCO[C@H](C)C(=O)[N-]S(=O)(=O)c1ccc(C)s1	ZINC000835033158	613002174	/nfs/dbraw/zinc/00/21/74/613002174.db2.gz	POGCFMZEAOMYGV-SECBINFHSA-N	-1	0	287.362	0.900	20	30		CCEDRM
C#CC[C@@H](NC(=O)[C@H]1COCCN1C1CCCC1)C(=O)[O-]	ZINC000910049519	613041208	/nfs/dbraw/zinc/04/12/08/613041208.db2.gz	WKARYIMDRJAJJS-CHWSQXEVSA-N	-1	0	294.351	0.223	20	30		CCEDRM
C#CC[C@@H](NC(=O)c1nn(C)c(C)c1Cl)C(=O)[O-]	ZINC000910046140	613042402	/nfs/dbraw/zinc/04/24/02/613042402.db2.gz	MBCCKHKQSPLQER-SSDOTTSWSA-N	-1	0	269.688	0.588	20	30		CCEDRM
C#CC[C@@H](NC(=O)c1n[nH]c2c1CCCCC2)C(=O)[O-]	ZINC000910052419	613042414	/nfs/dbraw/zinc/04/24/14/613042414.db2.gz	XCSSQQJDKZTXRO-LLVKDONJSA-N	-1	0	275.308	0.885	20	30		CCEDRM
C#CC[C@@H](NC(=O)c1cnn2c1C[C@H](C)CC2)C(=O)[O-]	ZINC000910045743	613042472	/nfs/dbraw/zinc/04/24/72/613042472.db2.gz	GFENHCGEHSDBRZ-MWLCHTKSSA-N	-1	0	275.308	0.672	20	30		CCEDRM
C#CC[C@@H](NC(=O)c1ocnc1C(F)(F)F)C(=O)[O-]	ZINC000910049283	613042496	/nfs/dbraw/zinc/04/24/96/613042496.db2.gz	VACCQIXDDZQQHJ-RXMQYKEDSA-N	-1	0	276.170	0.900	20	30		CCEDRM
C#CC[C@@H]1CCCN(C(=O)Cn2cc(C(=O)[O-])cn2)C1	ZINC000864156852	613044215	/nfs/dbraw/zinc/04/42/15/613044215.db2.gz	RZXWOKITQXJAOG-LLVKDONJSA-N	-1	0	275.308	0.843	20	30		CCEDRM
C#CC[C@@H]1CCCN(C(=O)[C@H]2CC[C@H](C(=O)[O-])O2)C1	ZINC000851615396	613044876	/nfs/dbraw/zinc/04/48/76/613044876.db2.gz	DFVPSOACEGSXIW-IJLUTSLNSA-N	-1	0	265.309	0.881	20	30		CCEDRM
C#CC[C@H](CCOC)N=c1nn[n-]n1Cc1ccccc1	ZINC000894827755	613048945	/nfs/dbraw/zinc/04/89/45/613048945.db2.gz	GRXRQZFERKPBIF-CQSZACIVSA-N	-1	0	285.351	0.984	20	30		CCEDRM
C#CCCS(=O)(=O)[N-]C(=O)C[C@@H](OCC)C(=C)C	ZINC000810780874	613053023	/nfs/dbraw/zinc/05/30/23/613053023.db2.gz	VLSKFHIKAPPWFK-LLVKDONJSA-N	-1	0	273.354	0.827	20	30		CCEDRM
C#CCCS(=O)(=O)[N-]C(=O)[C@H]1CCCOCC1	ZINC000810783048	613053397	/nfs/dbraw/zinc/05/33/97/613053397.db2.gz	CNTFXHDTRUNMDF-JTQLQIEISA-N	-1	0	259.327	0.272	20	30		CCEDRM
C#CCCS(=O)(=O)[N-]C(=O)c1ccsc1COC	ZINC000870331340	613053796	/nfs/dbraw/zinc/05/37/96/613053796.db2.gz	MEXNYRTUQPQROZ-UHFFFAOYSA-N	-1	0	287.362	0.977	20	30		CCEDRM
C#CC[C@H](CO)NC(=O)c1ccc(C)c(C(=O)[O-])c1	ZINC000911395455	613057753	/nfs/dbraw/zinc/05/77/53/613057753.db2.gz	PXTJLSNHNFVQNL-LLVKDONJSA-N	-1	0	261.277	0.807	20	30		CCEDRM
C#CC[C@H](COC)NC(=O)Cc1cc(=O)n(CC(C)C)[n-]1	ZINC000827723185	613061179	/nfs/dbraw/zinc/06/11/79/613061179.db2.gz	GZEMPKYDLNZQME-GFCCVEGCSA-N	-1	0	293.367	0.529	20	30		CCEDRM
C#CC[C@H](NC(=O)C1(C)CCC2(CC1)OCCO2)C(=O)[O-]	ZINC000907719682	613067402	/nfs/dbraw/zinc/06/74/02/613067402.db2.gz	SHPBEIZDEGWDSF-NSHDSACASA-N	-1	0	295.335	0.903	20	30		CCEDRM
C#CC[C@H](NC(=O)CC[C@@H]1CC[C@H](C)O1)C(=O)[O-]	ZINC000910053936	613067637	/nfs/dbraw/zinc/06/76/37/613067637.db2.gz	FJGOFGBWEUBCGY-DCAQKATOSA-N	-1	0	253.298	0.927	20	30		CCEDRM
C#CC[C@H](NC(=O)CCOCCCOC)C(=O)[O-]	ZINC000910046048	613067645	/nfs/dbraw/zinc/06/76/45/613067645.db2.gz	KMVJQMVLZYYGPR-JTQLQIEISA-N	-1	0	257.286	0.022	20	30		CCEDRM
C#CC[C@H](NC(=O)[C@H](C)OC[C@@H]1CCCCO1)C(=O)[O-]	ZINC000910052926	613069207	/nfs/dbraw/zinc/06/92/07/613069207.db2.gz	KLWSGPIVYBGBIV-SRVKXCTJSA-N	-1	0	283.324	0.553	20	30		CCEDRM
C#CC[C@H](NC(=O)[C@H](C)Oc1cccnc1)C(=O)[O-]	ZINC000910050660	613069261	/nfs/dbraw/zinc/06/92/61/613069261.db2.gz	MXOXAXQVYJFXEE-ONGXEEELSA-N	-1	0	262.265	0.442	20	30		CCEDRM
C#CC[C@H](NC(=O)[C@H](C)Cc1cnn(C)c1)C(=O)[O-]	ZINC000910050268	613069339	/nfs/dbraw/zinc/06/93/39/613069339.db2.gz	HUVSFWKLIQPMPJ-KOLCDFICSA-N	-1	0	263.297	0.191	20	30		CCEDRM
C#CC[C@H](NC(=O)c1ccc(OCC(F)F)nc1)C(=O)[O-]	ZINC000910047963	613070147	/nfs/dbraw/zinc/07/01/47/613070147.db2.gz	AUEJSYWGERMWRP-VIFPVBQESA-N	-1	0	298.245	0.932	20	30		CCEDRM
C#CC[C@H](NC(=O)c1cn(C)nc1C(F)F)C(=O)[O-]	ZINC000910050238	613070361	/nfs/dbraw/zinc/07/03/61/613070361.db2.gz	HICVVLWJRNVDFU-ZETCQYMHSA-N	-1	0	271.223	0.564	20	30		CCEDRM
C#CC[C@H]1CCN(C(=O)CSc2n[nH]c(=O)[n-]2)C1	ZINC000862572197	613073179	/nfs/dbraw/zinc/07/31/79/613073179.db2.gz	BAXQLTHMAIPGFO-QMMMGPOBSA-N	-1	0	266.326	0.474	20	30		CCEDRM
C#CCn1cc(CNC(=O)[C@H]2CC[C@@H](C(=O)[O-])C2)cn1	ZINC000911716361	613077618	/nfs/dbraw/zinc/07/76/18/613077618.db2.gz	IOFXURMVHJAMHQ-NWDGAFQWSA-N	-1	0	275.308	0.633	20	30		CCEDRM
C#C[C@@H](C)N(C)C(=O)c1cc(=O)n(-c2nc(C)cc(C)n2)[n-]1	ZINC000907774159	613079560	/nfs/dbraw/zinc/07/95/60/613079560.db2.gz	JQSOSWJGJHIUDD-LLVKDONJSA-N	-1	0	299.334	0.666	20	30		CCEDRM
C#C[C@@H](C)NS(=O)(=O)N=S(=O)(CC)CC	ZINC000867199152	613082454	/nfs/dbraw/zinc/08/24/54/613082454.db2.gz	VLZLYADAPNRTID-MRVPVSSYSA-N	-1	0	252.361	0.350	20	30		CCEDRM
C#C[C@@H](NC(=O)CCCn1c(=O)[n-][nH]c1=O)C(C)(C)C	ZINC000908223366	613091952	/nfs/dbraw/zinc/09/19/52/613091952.db2.gz	ARHJZPXAWOAILD-SECBINFHSA-N	-1	0	280.328	0.634	20	30		CCEDRM
C#C[C@@H](NC(=O)N[C@H]1C[C@@H](C(=O)[O-])C1)[C@H]1CCCO1	ZINC000874399289	613097444	/nfs/dbraw/zinc/09/74/44/613097444.db2.gz	VESYVDRNJMZPRU-LMLFDSFASA-N	-1	0	266.297	0.330	20	30		CCEDRM
C#CCN(CC#C)C(=O)[C@@H]1CCC[C@@H](NC(=O)[O-])C1	ZINC000823450561	613098810	/nfs/dbraw/zinc/09/88/10/613098810.db2.gz	DDRAQWFTPVTDPV-VXGBXAGGSA-N	-1	0	262.309	0.908	20	30		CCEDRM
C#CCN(CC#C)C(=O)[C@H]1CCC[C@H](NC(=O)[O-])C1	ZINC000823450560	613098866	/nfs/dbraw/zinc/09/88/66/613098866.db2.gz	DDRAQWFTPVTDPV-RYUDHWBXSA-N	-1	0	262.309	0.908	20	30		CCEDRM
C#CCN(CC#C)CC(=O)Nc1ccc(C(=O)[O-])cc1	ZINC000825608764	613099079	/nfs/dbraw/zinc/09/90/79/613099079.db2.gz	KCMUPJSOTGCJFN-UHFFFAOYSA-N	-1	0	270.288	0.892	20	30		CCEDRM
C#C[C@H](C)N(C)S(=O)(=O)c1cc(C(=O)[O-])oc1C	ZINC000871951307	613114392	/nfs/dbraw/zinc/11/43/92/613114392.db2.gz	PNASOXBIUVQRDS-ZETCQYMHSA-N	-1	0	271.294	0.928	20	30		CCEDRM
C#C[C@H](NC(=O)C1(C(=O)[O-])CCCC1)[C@@H]1CCCO1	ZINC000911580788	613132302	/nfs/dbraw/zinc/13/23/02/613132302.db2.gz	UFBQABWMXMPQRU-QWRGUYRKSA-N	-1	0	265.309	0.928	20	30		CCEDRM
C#C[C@H](NC(=O)C1(C(=O)[O-])CCC1)[C@@H]1CCCO1	ZINC000911581561	613132406	/nfs/dbraw/zinc/13/24/06/613132406.db2.gz	ZAESZLACZSZZEX-UWVGGRQHSA-N	-1	0	251.282	0.538	20	30		CCEDRM
C#C[C@H](NC(=O)C[C@@H](C)CC(=O)[O-])[C@@H]1CCCO1	ZINC000911578540	613133778	/nfs/dbraw/zinc/13/37/78/613133778.db2.gz	KMSBBADNALWBBV-VWYCJHECSA-N	-1	0	253.298	0.784	20	30		CCEDRM
C#C[C@H](NC(=O)c1c[n-]n2c1nccc2=O)C(C)C	ZINC000857212859	613149700	/nfs/dbraw/zinc/14/97/00/613149700.db2.gz	ZASKFJBCIXWBGY-JTQLQIEISA-N	-1	0	258.281	0.410	20	30		CCEDRM
C#Cc1ccc(C(=O)N2CC[C@H](OC)C[C@H]2C(=O)[O-])cn1	ZINC000833368524	613174520	/nfs/dbraw/zinc/17/45/20/613174520.db2.gz	PVGNNHCUPKSHSR-STQMWFEESA-N	-1	0	288.303	0.767	20	30		CCEDRM
C#CCN1CCC[C@H]1C(=O)N[C@H]1CCC[C@]1(C)C(=O)[O-]	ZINC000909998523	613202785	/nfs/dbraw/zinc/20/27/85/613202785.db2.gz	GIZKPDBWFISNMS-HUBLWGQQSA-N	-1	0	278.352	0.844	20	30		CCEDRM
C#Cc1cncc(C(=O)N2CCC[C@H](c3n[nH]c(=O)[n-]3)C2)c1	ZINC000843879339	613213138	/nfs/dbraw/zinc/21/31/38/613213138.db2.gz	XWJONHHWSJNCSS-NSHDSACASA-N	-1	0	297.318	0.906	20	30		CCEDRM
C#Cc1cncc(C(=O)N[C@H](C(=O)[O-])[C@H]2CCCOC2)c1	ZINC000909540677	613220717	/nfs/dbraw/zinc/22/07/17/613220717.db2.gz	BXPHCULLVPSOPP-AAEUAGOBSA-N	-1	0	288.303	0.673	20	30		CCEDRM
C#Cc1cncc(C(=O)N[C@@](C)(CCF)C(=O)[O-])c1	ZINC000909973278	613220768	/nfs/dbraw/zinc/22/07/68/613220768.db2.gz	XOUAHPRLHGAYAD-ZDUSSCGKSA-N	-1	0	264.256	0.996	20	30		CCEDRM
COc1ccnc(N=NCc2c[nH]c(C(=O)[O-])c2)n1	ZINC000814798633	617326198	/nfs/dbraw/zinc/32/61/98/617326198.db2.gz	KAOVHIBGCGWPBV-UHFFFAOYSA-N	-1	0	261.241	0.958	20	30		CCEDRM
C=C(C)CN(CC)C(=O)CN(CC(=O)[O-])C1CCOCC1	ZINC000825642365	613292979	/nfs/dbraw/zinc/29/29/79/613292979.db2.gz	QKDIGJBFWFBHKQ-UHFFFAOYSA-N	-1	0	298.383	0.977	20	30		CCEDRM
C=C(C)CN(CC)C(=O)[C@@H](C)N1CCO[C@H](CC(=O)[O-])C1	ZINC000825642024	613294135	/nfs/dbraw/zinc/29/41/35/613294135.db2.gz	DFQBXKWCESJJPO-CHWSQXEVSA-N	-1	0	298.383	0.975	20	30		CCEDRM
C=C(C)CO[N-]C(=O)CNS(=O)(=O)CCCC	ZINC000846536684	613352439	/nfs/dbraw/zinc/35/24/39/613352439.db2.gz	WNWILKQUIWSLMV-UHFFFAOYSA-N	-1	0	264.347	0.330	20	30		CCEDRM
C=C(C)CO[N-]C(=O)CN1CCN(C2CC2)C1=O	ZINC000855026549	613352522	/nfs/dbraw/zinc/35/25/22/613352522.db2.gz	ITCHGBLIKQMPBV-UHFFFAOYSA-N	-1	0	253.302	0.510	20	30		CCEDRM
C=C(C)CONC(=O)Cc1cc(=O)n(CC(C)C)[n-]1	ZINC000824028247	613352623	/nfs/dbraw/zinc/35/26/23/613352623.db2.gz	CHTRGKDJIUGLIQ-UHFFFAOYSA-N	-1	0	267.329	0.999	20	30		CCEDRM
C=C(C)CS(=O)(=O)N[C@H](CSC)C(=O)[O-]	ZINC000903053780	613354389	/nfs/dbraw/zinc/35/43/89/613354389.db2.gz	CCIZPJHRGNACRQ-SSDOTTSWSA-N	-1	0	253.345	0.298	20	30		CCEDRM
C=C(C)C[C@@H](NC(=O)COCc1nccn1C)C(=O)[O-]	ZINC000910291579	613355694	/nfs/dbraw/zinc/35/56/94/613355694.db2.gz	JVYJOWREPHUDLC-SNVBAGLBSA-N	-1	0	281.312	0.472	20	30		CCEDRM
C=C(C)C[C@H](NC(=O)c1cn(CCC)nn1)C(=O)[O-]	ZINC000910293179	613359228	/nfs/dbraw/zinc/35/92/28/613359228.db2.gz	VIPKHUBEUKKUSO-VIFPVBQESA-N	-1	0	266.301	0.837	20	30		CCEDRM
C=C(C)[C@@H](CC(=O)NCCOCC(=O)[O-])OCC	ZINC000909637592	613360167	/nfs/dbraw/zinc/36/01/67/613360167.db2.gz	VDHTVBUIFHOERX-SNVBAGLBSA-N	-1	0	259.302	0.575	20	30		CCEDRM
C=C(C)[C@H](CC(=O)N[C@H]1CCCN(O)C1=O)OCC	ZINC000848134951	613362298	/nfs/dbraw/zinc/36/22/98/613362298.db2.gz	GVQIHTDRZWWTKQ-QWRGUYRKSA-N	-1	0	270.329	0.854	20	30		CCEDRM
C=C(C)[C@H]1OCC[C@@H]1CNC(=O)NCC(=O)[N-]OCC	ZINC000845536351	613362787	/nfs/dbraw/zinc/36/27/87/613362787.db2.gz	VVRFJGRRRYFKFU-ZYHUDNBSSA-N	-1	0	285.344	0.335	20	30		CCEDRM
C=C(C)[C@H]1OCC[C@H]1C(=O)N1C[C@@H](C)O[C@@H](C(=O)[O-])C1	ZINC000909894575	613362863	/nfs/dbraw/zinc/36/28/63/613362863.db2.gz	UNAWLFVZMAOJRH-DDHJBXDOSA-N	-1	0	283.324	0.668	20	30		CCEDRM
C=C(Cl)CNC(=O)C[C@H]1CN(C(=O)[O-])CCO1	ZINC000823485503	613383468	/nfs/dbraw/zinc/38/34/68/613383468.db2.gz	GLJIHSYNRSNTPH-QMMMGPOBSA-N	-1	0	262.693	0.624	20	30		CCEDRM
C=C(Cl)C[C@@H](NC(=O)[C@H]1COCCO1)C(=O)[O-]	ZINC000864185615	613388691	/nfs/dbraw/zinc/38/86/91/613388691.db2.gz	XWJOHVWIFKXQCK-HTQZYQBOSA-N	-1	0	263.677	0.114	20	30		CCEDRM
C=C(Cl)C[C@@H](NC(=O)c1cccc(=O)n1C)C(=O)[O-]	ZINC000864186207	613388701	/nfs/dbraw/zinc/38/87/01/613388701.db2.gz	KRQPZKJQWNDJKN-MRVPVSSYSA-N	-1	0	284.699	0.711	20	30		CCEDRM
C=C(Cl)C[C@H](NC(=O)Cc1cc(C)[nH]n1)C(=O)[O-]	ZINC000910266176	613390737	/nfs/dbraw/zinc/39/07/37/613390737.db2.gz	KZOWZWSCMORZOD-VIFPVBQESA-N	-1	0	271.704	0.973	20	30		CCEDRM
C=C(Cl)C[C@H](NC(=O)c1cc(OC)n(C)n1)C(=O)[O-]	ZINC000864186778	613390766	/nfs/dbraw/zinc/39/07/66/613390766.db2.gz	XLHPAYDVBJSPPJ-QMMMGPOBSA-N	-1	0	287.703	0.754	20	30		CCEDRM
C=C(Cl)C[C@H](NC(=O)[C@H]1CCCS1(=O)=O)C(=O)[O-]	ZINC000864186786	613390856	/nfs/dbraw/zinc/39/08/56/613390856.db2.gz	XOYROVDWXOZBQE-JGVFFNPUSA-N	-1	0	295.744	0.276	20	30		CCEDRM
C=C(Cl)C[C@H](NS(=O)(=O)N(C)C1CC1)C(=O)[O-]	ZINC000863419796	613390932	/nfs/dbraw/zinc/39/09/32/613390932.db2.gz	DCBMQWWGFQPMJI-QMMMGPOBSA-N	-1	0	282.749	0.511	20	30		CCEDRM
C=C1CC(C)(C(=O)N2CCN(Cc3n[nH]c(=O)[n-]3)CC2)C1	ZINC000950383424	613393698	/nfs/dbraw/zinc/39/36/98/613393698.db2.gz	XKDACVHBTXVQGF-UHFFFAOYSA-N	-1	0	291.355	0.511	20	30		CCEDRM
C=CCSCCNC(=O)[C@@H]1C[C@H](O)CN1C(=O)[O-]	ZINC000823516567	613395817	/nfs/dbraw/zinc/39/58/17/613395817.db2.gz	OUOCYUOZWJEWIE-IUCAKERBSA-N	-1	0	274.342	0.135	20	30		CCEDRM
C=CCn1cc(CNC(=O)CCCC(=O)[O-])nn1	ZINC000819001229	613433833	/nfs/dbraw/zinc/43/38/33/613433833.db2.gz	KIKBLLMYBXYIPC-UHFFFAOYSA-N	-1	0	252.274	0.335	20	30		CCEDRM
C=C[C@@H](C)O[N-]C(=O)C(=O)Nc1cnc(C2CC2)nc1	ZINC000846155286	613443224	/nfs/dbraw/zinc/44/32/24/613443224.db2.gz	SGCKKLMQFGBLIU-MRVPVSSYSA-N	-1	0	276.296	0.915	20	30		CCEDRM
C=C[C@@H](C)O[N-]C(=O)Cc1nc(C2CC2)nn1C	ZINC000846553431	613443545	/nfs/dbraw/zinc/44/35/45/613443545.db2.gz	ARXWBGKYQDMHIU-MRVPVSSYSA-N	-1	0	250.302	0.857	20	30		CCEDRM
C=C[C@@H](C)O[N-]C(=O)CNC(=O)NCc1ccco1	ZINC000846549343	613443639	/nfs/dbraw/zinc/44/36/39/613443639.db2.gz	JJVAKSFXXJDLAS-SECBINFHSA-N	-1	0	267.285	0.701	20	30		CCEDRM
C=C[C@@H](C)O[N-]C(=O)[C@]12CCC(=O)N1CCS2	ZINC000846543496	613447075	/nfs/dbraw/zinc/44/70/75/613447075.db2.gz	KUWHMCCWZKPVQV-LDYMZIIASA-N	-1	0	256.327	0.674	20	30		CCEDRM
C=C[C@@H](O)C(=O)N(CCCOCC)C[C@H](C)C(=O)[O-]	ZINC000908985300	613449367	/nfs/dbraw/zinc/44/93/67/613449367.db2.gz	VTLHIXOFZCTLNV-WDEREUQCSA-N	-1	0	273.329	0.509	20	30		CCEDRM
C=CC1(S(=O)(=O)[N-]C(=O)C2SCCS2)CC1	ZINC000870835078	613450402	/nfs/dbraw/zinc/45/04/02/613450402.db2.gz	AZBAUWMMAZGYFO-UHFFFAOYSA-N	-1	0	279.408	0.957	20	30		CCEDRM
C=CC1(S(=O)(=O)[N-]C(=O)COCCCOC)CC1	ZINC000870835324	613450407	/nfs/dbraw/zinc/45/04/07/613450407.db2.gz	KWLNXRUSNMOWIM-UHFFFAOYSA-N	-1	0	277.342	0.204	20	30		CCEDRM
C=CC1(S(=O)(=O)[N-]C(=O)C[C@H]2CCCOC2)CC1	ZINC000870836979	613450788	/nfs/dbraw/zinc/45/07/88/613450788.db2.gz	UAEUCCLVJWGGMT-SNVBAGLBSA-N	-1	0	273.354	0.968	20	30		CCEDRM
C=C[C@@H](O)C(=O)N1CCc2ccccc2[C@H]1C(=O)[O-]	ZINC000909031979	613451345	/nfs/dbraw/zinc/45/13/45/613451345.db2.gz	HEHOGCCYLNZWBB-NEPJUHHUSA-N	-1	0	261.277	0.744	20	30		CCEDRM
C=CC1(S(=O)(=O)[N-]C(=O)[C@H]2CO[C@H](C)C2)CC1	ZINC000870836225	613452001	/nfs/dbraw/zinc/45/20/01/613452001.db2.gz	UFPKZWPZZAYJGX-RKDXNWHRSA-N	-1	0	259.327	0.576	20	30		CCEDRM
C=CC1(S(=O)(=O)[N-]C(=O)c2cnn(CC)n2)CC1	ZINC000870837793	613452323	/nfs/dbraw/zinc/45/23/23/613452323.db2.gz	BQVRDASAQGJQDZ-UHFFFAOYSA-N	-1	0	270.314	0.076	20	30		CCEDRM
C=CC1CCN(C(=O)[C@@H]2C[C@@H](O)CN2C(=O)[O-])CC1	ZINC000823491540	613452329	/nfs/dbraw/zinc/45/23/29/613452329.db2.gz	WTHAAUDCBBYROE-MNOVXSKESA-N	-1	0	268.313	0.524	20	30		CCEDRM
C=CCCC(=O)N1CC[C@H](C(=O)[O-])C[C@H]1C(=O)OC	ZINC000833373387	613462683	/nfs/dbraw/zinc/46/26/83/613462683.db2.gz	NCMNGFCXSCSMJS-UWVGGRQHSA-N	-1	0	269.297	0.817	20	30		CCEDRM
C=CCCCCNC(=O)C(=O)NC[C@H](CC)C(=O)[O-]	ZINC000927957220	613465910	/nfs/dbraw/zinc/46/59/10/613465910.db2.gz	VZIHQRWETNFSSP-JTQLQIEISA-N	-1	0	270.329	0.686	20	30		CCEDRM
C=C[C@@H]1OCC[C@H]1CNC(=O)N1CC2CC1(C(=O)[O-])C2	ZINC000909238079	613468904	/nfs/dbraw/zinc/46/89/04/613468904.db2.gz	NHVJNCUONQCQKB-JXJNQWLDSA-N	-1	0	280.324	0.836	20	30		CCEDRM
C=CCCCS(=O)(=O)N1[C@@H](C(=O)[O-])C[C@@H]2OCC[C@@H]21	ZINC000926597571	613469129	/nfs/dbraw/zinc/46/91/29/613469129.db2.gz	ZJWJMSPNQAVGIZ-AXFHLTTASA-N	-1	0	289.353	0.599	20	30		CCEDRM
C=C[C@@H]1OCC[C@H]1CNC(=O)NC1(C(=O)[O-])CCC1	ZINC000909236832	613469437	/nfs/dbraw/zinc/46/94/37/613469437.db2.gz	CNZQIMCDRMGYCU-UWVGGRQHSA-N	-1	0	268.313	0.884	20	30		CCEDRM
C=C[C@@H]1OCC[C@H]1CNC(=O)N[C@@H](CC(F)F)C(=O)[O-]	ZINC000909240274	613469734	/nfs/dbraw/zinc/46/97/34/613469734.db2.gz	ZZGRIYQLGINROR-CIUDSAMLSA-N	-1	0	292.282	0.985	20	30		CCEDRM
C=CCCC[C@@H](NC(=O)Cc1cncn1C)C(=O)[O-]	ZINC000910915743	613470698	/nfs/dbraw/zinc/47/06/98/613470698.db2.gz	AEHHJSAXSLMVOU-LLVKDONJSA-N	-1	0	265.313	0.888	20	30		CCEDRM
C=CCCC[C@@H](NC(=O)[C@@H](COC)OC)C(=O)[O-]	ZINC000910922494	613470951	/nfs/dbraw/zinc/47/09/51/613470951.db2.gz	KJQOCHPKUMNAEL-NXEZZACHSA-N	-1	0	259.302	0.574	20	30		CCEDRM
C=CCCC[C@@H](NC(=O)[C@H]1CN(CC)CCO1)C(=O)[O-]	ZINC000910916686	613471522	/nfs/dbraw/zinc/47/15/22/613471522.db2.gz	ICRAMMRPKGHION-VXGBXAGGSA-N	-1	0	284.356	0.633	20	30		CCEDRM
C=CCCC[C@H](NC(=O)[C@]1(O)CCSC1)C(=O)[O-]	ZINC000910915840	613474070	/nfs/dbraw/zinc/47/40/70/613474070.db2.gz	BSBNBHUZTOCSSX-CABZTGNLSA-N	-1	0	273.354	0.780	20	30		CCEDRM
C=CCCC[C@H](NC(=O)[C@H](C)n1cncn1)C(=O)[O-]	ZINC000910913894	613474263	/nfs/dbraw/zinc/47/42/63/613474263.db2.gz	FPVBTFCBCMVHEE-UWVGGRQHSA-N	-1	0	266.301	0.765	20	30		CCEDRM
C=C[C@@](C)(CCOC)C(=O)N[C@H]1CCN(O)C1=O	ZINC000820144347	613477031	/nfs/dbraw/zinc/47/70/31/613477031.db2.gz	UALJQBROROQZJK-CABZTGNLSA-N	-1	0	256.302	0.322	20	30		CCEDRM
C=C[C@@](C)(O)C(=O)NCc1cc(C)c(C(=O)[O-])o1	ZINC000910301350	613478828	/nfs/dbraw/zinc/47/88/28/613478828.db2.gz	GKDIPAFSMGOAPK-GFCCVEGCSA-N	-1	0	253.254	0.839	20	30		CCEDRM
C=C[C@@](C)(O)C(=O)N[C@@H](CC(F)(F)F)C(=O)[O-]	ZINC000909667634	613479113	/nfs/dbraw/zinc/47/91/13/613479113.db2.gz	VWRSYQROVWPYHS-YLWLKBPMSA-N	-1	0	255.192	0.445	20	30		CCEDRM
C=C[C@@](C)(O)C(=O)N[C@@H](Cc1ccncc1)C(=O)[O-]	ZINC000911573513	613479136	/nfs/dbraw/zinc/47/91/36/613479136.db2.gz	KQFJQEPJOCHXLA-GXFFZTMASA-N	-1	0	264.281	0.131	20	30		CCEDRM
C=C[C@H](C)NC(=O)C(=O)Nc1cccc(CC(=O)[O-])c1	ZINC000817681090	613482408	/nfs/dbraw/zinc/48/24/08/613482408.db2.gz	PYFWZQAFVOTAOF-VIFPVBQESA-N	-1	0	276.292	0.943	20	30		CCEDRM
C=C[C@H](C)NC(=O)C(=O)Nc1cc(C(=O)[O-])n(C)c1	ZINC000833372428	613482543	/nfs/dbraw/zinc/48/25/43/613482543.db2.gz	TVKMHQCCGQWMQS-ZETCQYMHSA-N	-1	0	265.269	0.353	20	30		CCEDRM
C=C[C@H](C)O[N-]C(=O)C(=O)Nc1cnc(N(C)C)nc1	ZINC000846154774	613483708	/nfs/dbraw/zinc/48/37/08/613483708.db2.gz	SKLHHYGDYQOYFK-QMMMGPOBSA-N	-1	0	279.300	0.103	20	30		CCEDRM
C=C[C@H](C)O[N-]C(=O)[C@H](c1cncn1C)N(C)C	ZINC000846555637	613488317	/nfs/dbraw/zinc/48/83/17/613488317.db2.gz	TXKXQRXGHIVHFY-ONGXEEELSA-N	-1	0	252.318	0.645	20	30		CCEDRM
C=C[C@H](C)O[N-]C(=O)[C@@H]1Nc2ccccc2S(=O)(=O)N1	ZINC000846549710	613488346	/nfs/dbraw/zinc/48/83/46/613488346.db2.gz	JWRLVUDVJLOXTK-GZMMTYOYSA-N	-1	0	297.336	0.339	20	30		CCEDRM
C=C[C@H](O)C(=O)N1CC[C@@](C(=O)[O-])(C(F)(F)F)C1	ZINC000909764560	613494875	/nfs/dbraw/zinc/49/48/75/613494875.db2.gz	YTZKLPIXBZVQNF-IMTBSYHQSA-N	-1	0	267.203	0.399	20	30		CCEDRM
C=C[C@H](O)C(=O)N[C@H]1CCSC2(CC(C(=O)[O-])C2)C1	ZINC000908175091	613497666	/nfs/dbraw/zinc/49/76/66/613497666.db2.gz	YBPBQSGSDGOIHR-XWDDTNKTSA-N	-1	0	285.365	0.779	20	30		CCEDRM
C=C[C@H](OC(=O)C(C)(C)[N-]C(=O)C(F)(F)F)C(=O)OC	ZINC000870532329	613499623	/nfs/dbraw/zinc/49/96/23/613499623.db2.gz	STYKCJBEMWHDIN-LURJTMIESA-N	-1	0	297.229	0.714	20	30		CCEDRM
CC#CCCCC(=O)[N-]S(=O)(=O)c1c(C)onc1N	ZINC000810828576	613520632	/nfs/dbraw/zinc/52/06/32/613520632.db2.gz	XITITCUKFPFWKM-UHFFFAOYSA-N	-1	0	285.325	0.564	20	30		CCEDRM
CC#CCCNC(=O)N[C@H](C(=O)[O-])[C@@H]1CCCOC1	ZINC000909031438	613522251	/nfs/dbraw/zinc/52/22/51/613522251.db2.gz	IUFGWTSWQHAHQY-MNOVXSKESA-N	-1	0	268.313	0.579	20	30		CCEDRM
CC(=O)N1CC[C@H](NC(=O)[C@](C)(C#N)CC(=O)[O-])[C@@H](C)C1	ZINC000819732034	613541479	/nfs/dbraw/zinc/54/14/79/613541479.db2.gz	SWELOSKVVKMOAP-CHIMOYNISA-N	-1	0	295.339	0.364	20	30		CCEDRM
CC#CCN1CCCN(C(=O)c2n[nH]c(C)c2[O-])CC1	ZINC000980980270	613556286	/nfs/dbraw/zinc/55/62/86/613556286.db2.gz	YYLVEPUJMIWDTK-UHFFFAOYSA-N	-1	0	276.340	0.595	20	30		CCEDRM
C=CCCOCC(=O)[N-]S(=O)(=O)CC[C@@H]1CCCO1	ZINC000893712586	613572765	/nfs/dbraw/zinc/57/27/65/613572765.db2.gz	KCDLDFXXWLZZEO-NSHDSACASA-N	-1	0	291.369	0.594	20	30		CCEDRM
C=CCCOCC(=O)[N-]S(=O)(=O)C1(C(F)F)CC1	ZINC000861164513	613572849	/nfs/dbraw/zinc/57/28/49/613572849.db2.gz	XEZJBANDHMYGST-UHFFFAOYSA-N	-1	0	283.296	0.823	20	30		CCEDRM
C=CCCOCC(=O)[N-]S(=O)(=O)c1cncc(C#N)c1	ZINC000813981756	613572850	/nfs/dbraw/zinc/57/28/50/613572850.db2.gz	WHLGZQZHWGOTKO-UHFFFAOYSA-N	-1	0	295.320	0.351	20	30		CCEDRM
C=CCCO[N-]C(=O)[C@@](C)(O)Cn1ccc(C)cc1=O	ZINC000856034466	613577007	/nfs/dbraw/zinc/57/70/07/613577007.db2.gz	HJAZIYZXJZAJSW-AWEZNQCLSA-N	-1	0	280.324	0.532	20	30		CCEDRM
C=CCCS(=O)(=O)N1Cc2cc(C(=O)[O-])nn2C[C@H]1C	ZINC000903880070	613581175	/nfs/dbraw/zinc/58/11/75/613581175.db2.gz	NRKTXCYRDZYOOW-SECBINFHSA-N	-1	0	299.352	0.691	20	30		CCEDRM
C=CCC[C@@H](NC(=O)/C=C/c1cn(C)cn1)C(=O)[O-]	ZINC000923081643	613584557	/nfs/dbraw/zinc/58/45/57/613584557.db2.gz	LWCDXZZHVXMEHS-XUIVZRPNSA-N	-1	0	263.297	0.969	20	30		CCEDRM
C=CCC[C@@H](NC(=O)[C@H](C)C[NH+]1CCOCC1)C(=O)[O-]	ZINC000909718137	613585033	/nfs/dbraw/zinc/58/50/33/613585033.db2.gz	MSQYSLBFIDXIOY-VXGBXAGGSA-N	-1	0	284.356	0.490	20	30		CCEDRM
C=CCC[C@@H](NC(=O)[C@@]1(C#N)CCCOC1)C(=O)[O-]	ZINC000923083858	613585072	/nfs/dbraw/zinc/58/50/72/613585072.db2.gz	SWAZZKQZLZMLBB-ZWNOBZJWSA-N	-1	0	266.297	0.842	20	30		CCEDRM
C=CCC[C@H](NC(=O)Cn1ccc(C)n1)C(=O)[O-]	ZINC000909712865	613589920	/nfs/dbraw/zinc/58/99/20/613589920.db2.gz	CDZULIIEZXFXTJ-JTQLQIEISA-N	-1	0	251.286	0.727	20	30		CCEDRM
C=CCC[C@H](O)CN1CC[C@H](C(=O)[O-])C[C@@H]1C(=O)OC	ZINC000833373449	613591266	/nfs/dbraw/zinc/59/12/66/613591266.db2.gz	PQFSNNYHWKHJGJ-SDDRHHMPSA-N	-1	0	285.340	0.652	20	30		CCEDRM
C=CCN(C(=O)c1cc(-c2nn[nH]n2)c[nH]1)C1CC1	ZINC000823904258	613607354	/nfs/dbraw/zinc/60/73/54/613607354.db2.gz	YDQLDYKYUGIJKK-UHFFFAOYSA-N	-1	0	258.285	0.985	20	30		CCEDRM
C=CCN(CC(=O)[O-])C(=O)N[C@@H]1C[C@@H](OCC)[C@H]1OC	ZINC000909197072	613643307	/nfs/dbraw/zinc/64/33/07/613643307.db2.gz	SMTYHVYOKHOJEY-FOGDFJRCSA-N	-1	0	286.328	0.461	20	30		CCEDRM
C=CCN(CC(=O)[O-])S(=O)(=O)CC1(F)CC1	ZINC000903839707	613643622	/nfs/dbraw/zinc/64/36/22/613643622.db2.gz	IRQKQYDRBQNHAY-UHFFFAOYSA-N	-1	0	251.279	0.391	20	30		CCEDRM
C=CCN(CC(=O)[O-])S(=O)(=O)C[C@@H](OC)C1CC1	ZINC000830043078	613643730	/nfs/dbraw/zinc/64/37/30/613643730.db2.gz	SVDDUMWLJHRFOU-SNVBAGLBSA-N	-1	0	277.342	0.314	20	30		CCEDRM
C=CCN(CC(=O)[O-])C(=O)c1cn2c(n1)COCC2	ZINC000909517066	613643755	/nfs/dbraw/zinc/64/37/55/613643755.db2.gz	ZIPJLNLKBCNBJI-UHFFFAOYSA-N	-1	0	265.269	0.126	20	30		CCEDRM
C=CCN(CC(=O)OCC)C(=O)c1cncc(O)c1	ZINC000152335169	613645289	/nfs/dbraw/zinc/64/52/89/613645289.db2.gz	DFMMCCDWGMKFHN-UHFFFAOYSA-N	-1	0	264.281	0.979	20	30		CCEDRM
CC#CCS(=O)(=O)[N-]C(=O)CC(C)(C)COC	ZINC000842344972	613645884	/nfs/dbraw/zinc/64/58/84/613645884.db2.gz	AVGDGIVITATTNZ-UHFFFAOYSA-N	-1	0	261.343	0.518	20	30		CCEDRM
CC#CCS(=O)(=O)[N-]C(=O)CC[C@H]1CC[C@H](C)O1	ZINC000810774325	613645909	/nfs/dbraw/zinc/64/59/09/613645909.db2.gz	XCTMCYHFTOZBSX-WDEREUQCSA-N	-1	0	273.354	0.803	20	30		CCEDRM
CC#CCS(=O)(=O)[N-]C(=O)[C@@H](C)OCCC(C)C	ZINC000810777185	613646113	/nfs/dbraw/zinc/64/61/13/613646113.db2.gz	CIWSHTLKBNFGEF-LLVKDONJSA-N	-1	0	275.370	0.907	20	30		CCEDRM
CC#CCS(=O)(=O)[N-]C(=O)C[C@@H](C)n1cccc1	ZINC000810773303	613646117	/nfs/dbraw/zinc/64/61/17/613646117.db2.gz	YOADLUOBWFAFCN-LLVKDONJSA-N	-1	0	268.338	0.909	20	30		CCEDRM
CC#CCS(=O)(=O)[N-]C(=O)[C@@H]1[C@H](C)O[C@@H](C)[C@H]1C	ZINC000860721040	613646691	/nfs/dbraw/zinc/64/66/91/613646691.db2.gz	VWVHDHHDMYBERZ-RCWTZXSCSA-N	-1	0	273.354	0.515	20	30		CCEDRM
CC#CCS(=O)(=O)[N-]C(=O)c1ccc(C#N)cc1	ZINC000810774450	613647417	/nfs/dbraw/zinc/64/74/17/613647417.db2.gz	ZSDJNSHNRXZUPI-UHFFFAOYSA-N	-1	0	262.290	0.641	20	30		CCEDRM
CC#CCS(=O)(=O)[N-]C(=O)c1c(Cl)cnn1C	ZINC000851000139	613647621	/nfs/dbraw/zinc/64/76/21/613647621.db2.gz	PRXANOXLKSMNRD-UHFFFAOYSA-N	-1	0	275.717	0.156	20	30		CCEDRM
CC#CCS(=O)(=O)[N-]C(=O)c1nc(C)sc1C	ZINC000810775158	613648026	/nfs/dbraw/zinc/64/80/26/613648026.db2.gz	VQUNKGYZPHIAKJ-UHFFFAOYSA-N	-1	0	272.351	0.843	20	30		CCEDRM
CC#CCS(=O)(=O)[N-]C(=O)c1nc(Cl)cs1	ZINC000810777761	613648048	/nfs/dbraw/zinc/64/80/48/613648048.db2.gz	OENJGNMOOHMUBG-UHFFFAOYSA-N	-1	0	278.742	0.879	20	30		CCEDRM
CC#CC[C@H](CO)NC(=O)Cc1cc(=O)n(CC(C)C)[n-]1	ZINC000823729043	613650805	/nfs/dbraw/zinc/65/08/05/613650805.db2.gz	YTMKZNAKEJAUGW-GFCCVEGCSA-N	-1	0	293.367	0.265	20	30		CCEDRM
CC#CC[C@H](CO)NC(=O)c1n[n-]c2ccccc2c1=O	ZINC000844119343	613652558	/nfs/dbraw/zinc/65/25/58/613652558.db2.gz	XZIDXSYSXGPRRW-SNVBAGLBSA-N	-1	0	285.303	0.840	20	30		CCEDRM
CC(=NNCCC(=O)[O-])c1cccc(S(N)(=O)=O)c1	ZINC000819726380	613655115	/nfs/dbraw/zinc/65/51/15/613655115.db2.gz	GRRPAKHXDOLNQO-UHFFFAOYSA-N	-1	0	285.325	0.122	20	30		CCEDRM
CC(=NNCCO)c1cccc(O[C@H](C)C(=O)[O-])c1	ZINC000814943517	613655600	/nfs/dbraw/zinc/65/56/00/613655600.db2.gz	FOYYYKWHDLTEJE-SNVBAGLBSA-N	-1	0	266.297	0.844	20	30		CCEDRM
CC(=O)C1=C(C(=O)[O-])NC(=S)N[C@@H]1c1ccc(C#N)o1	ZINC000825813102	613663811	/nfs/dbraw/zinc/66/38/11/613663811.db2.gz	FAAWUXAWVPUOGM-SECBINFHSA-N	-1	0	291.288	0.598	20	30		CCEDRM
CC(=O)CCC(=O)[N-]S(=O)(=O)c1cccc(F)c1C#N	ZINC000800407445	613668916	/nfs/dbraw/zinc/66/89/16/613668916.db2.gz	DINZDBGPAXTPAR-UHFFFAOYSA-N	-1	0	298.295	0.871	20	30		CCEDRM
CC(=O)NCCCOC(=O)[C@@](C)(C#N)CC(=O)[O-]	ZINC000819744469	613730376	/nfs/dbraw/zinc/73/03/76/613730376.db2.gz	NUAHCHUKHUQSJO-LLVKDONJSA-N	-1	0	256.258	0.060	20	30		CCEDRM
C=CCNC(=O)[C@H](C#N)C(=O)[C@@H]1CCC[C@@H](C(=O)[O-])C1	ZINC000825687521	613854654	/nfs/dbraw/zinc/85/46/54/613854654.db2.gz	NXGABMRQTKLFAF-GMTAPVOTSA-N	-1	0	278.308	0.888	20	30		CCEDRM
C=CCNC(=O)[C@H](C#N)C(=O)[C@@H]1CC[C@H](NC(=O)[O-])C1	ZINC000823505995	613854673	/nfs/dbraw/zinc/85/46/73/613854673.db2.gz	APWPCFGQHHXWHP-KXUCPTDWSA-N	-1	0	279.296	0.434	20	30		CCEDRM
C=CCNC(=O)C(C#N)=C([O-])c1cc(C)nc2cc(C)nn21	ZINC000917427204	613854878	/nfs/dbraw/zinc/85/48/78/613854878.db2.gz	UOMFYKHHTPTPHW-LLVKDONJSA-N	-1	0	297.318	0.971	20	30		CCEDRM
C=CCNC(=O)C(C#N)=C([O-])c1cnn(CC)c1C	ZINC000870139428	613854892	/nfs/dbraw/zinc/85/48/92/613854892.db2.gz	ANKNTKBYYCPUHA-SNVBAGLBSA-N	-1	0	260.297	0.836	20	30		CCEDRM
C=CCNC(=O)C(C#N)=C([O-])c1cn(CC)nc1C	ZINC000860471354	613855030	/nfs/dbraw/zinc/85/50/30/613855030.db2.gz	IJCASIXFUJOQDX-SNVBAGLBSA-N	-1	0	260.297	0.836	20	30		CCEDRM
C=CCNC(=O)[C@H](C)OC(=O)[C@@H](NC(=O)[O-])C(C)(C)C	ZINC000823507067	613855661	/nfs/dbraw/zinc/85/56/61/613855661.db2.gz	QWENIAHRVAQMMM-DTWKUNHWSA-N	-1	0	286.328	0.903	20	30		CCEDRM
C=CCOCCNC(=O)C(=O)Nc1cccc(C(=O)[O-])c1	ZINC000833375528	613880694	/nfs/dbraw/zinc/88/06/94/613880694.db2.gz	CTRFTTCPWIHHNW-UHFFFAOYSA-N	-1	0	292.291	0.642	20	30		CCEDRM
C=CCOC[C@@H](NC(=O)C1(O)CCCC1)C(=O)[O-]	ZINC000909771129	613881594	/nfs/dbraw/zinc/88/15/94/613881594.db2.gz	MYJRIQQBYOVBDP-SECBINFHSA-N	-1	0	257.286	0.064	20	30		CCEDRM
C=CCOC[C@@H](NC(=O)[C@@](C)(O)CCC)C(=O)[O-]	ZINC000909767612	613881745	/nfs/dbraw/zinc/88/17/45/613881745.db2.gz	QAMBYDZVLCHMLJ-SKDRFNHKSA-N	-1	0	259.302	0.310	20	30		CCEDRM
C=CCOC[C@@H](NC(=O)[C@@H]1C[C@H]1c1cccnc1)C(=O)[O-]	ZINC000909772901	613881814	/nfs/dbraw/zinc/88/18/14/613881814.db2.gz	XUCIHTNCJTWKDA-YNEHKIRRSA-N	-1	0	290.319	0.957	20	30		CCEDRM
C=CCOC[C@@H](NC(=O)c1cncs1)C(=O)[O-]	ZINC000909772918	613881879	/nfs/dbraw/zinc/88/18/79/613881879.db2.gz	YGCQBZKQKHBIOQ-SSDOTTSWSA-N	-1	0	256.283	0.529	20	30		CCEDRM
C=CCOC[C@@H](NC(=O)[C@]1(C)CCCCO1)C(=O)[O-]	ZINC000909771795	613881931	/nfs/dbraw/zinc/88/19/31/613881931.db2.gz	QHTDDTMSBJPXEX-MFKMUULPSA-N	-1	0	271.313	0.718	20	30		CCEDRM
C=CCOC[C@H](NC(=O)Cc1cnn(CC)c1)C(=O)[O-]	ZINC000909767971	613882322	/nfs/dbraw/zinc/88/23/22/613882322.db2.gz	SPYCVXSMHXQWQX-NSHDSACASA-N	-1	0	281.312	0.218	20	30		CCEDRM
C=CCOC[C@H](NC(=O)NCC1(C)CC1)C(=O)[O-]	ZINC000909063469	613882352	/nfs/dbraw/zinc/88/23/52/613882352.db2.gz	WFNBOZJYBWHARR-VIFPVBQESA-N	-1	0	256.302	0.742	20	30		CCEDRM
C=CCOC[C@H](NC(=O)N[C@H]1CCCSC1)C(=O)[O-]	ZINC000797727941	613882486	/nfs/dbraw/zinc/88/24/86/613882486.db2.gz	VCBGFAKIGUZIFJ-UWVGGRQHSA-N	-1	0	288.369	0.837	20	30		CCEDRM
C=CCOC[C@H](NC(=O)[C@H]1CCC(=O)[C@@H](C)C1)C(=O)[O-]	ZINC000909771285	613882552	/nfs/dbraw/zinc/88/25/52/613882552.db2.gz	MCRRKBQGPNKKDN-DCAQKATOSA-N	-1	0	283.324	0.764	20	30		CCEDRM
C=CCOC[C@H](NC(=O)[C@@H]1[C@@H](C)[C@H]1OCC)C(=O)[O-]	ZINC000909765821	613882555	/nfs/dbraw/zinc/88/25/55/613882555.db2.gz	FRJFOMXXMFKECR-LMLFDSFASA-N	-1	0	271.313	0.429	20	30		CCEDRM
C=CCOC[C@H](NC(=O)[C@@H]1[C@@H](C)[C@@H]1OCC)C(=O)[O-]	ZINC000909765824	613882668	/nfs/dbraw/zinc/88/26/68/613882668.db2.gz	FRJFOMXXMFKECR-YTWAJWBKSA-N	-1	0	271.313	0.429	20	30		CCEDRM
C=CCO[N-]C(=O)[C@@H](Cc1ccccc1)n1nnnc1C	ZINC000837047411	613884374	/nfs/dbraw/zinc/88/43/74/613884374.db2.gz	FBVVLXXWHHEXOZ-CYBMUJFWSA-N	-1	0	287.323	0.999	20	30		CCEDRM
C=CCS(=O)(=O)[N-]C(=O)C[C@H](OC)C(F)(F)F	ZINC000845499709	613886140	/nfs/dbraw/zinc/88/61/40/613886140.db2.gz	WDJQSWBBWQHHMC-LURJTMIESA-N	-1	0	275.248	0.586	20	30		CCEDRM
CC(C)N1C[C@H](NC(=O)[C@@](C)(C#N)CC(=O)[O-])CC1=O	ZINC000820025097	613892132	/nfs/dbraw/zinc/89/21/32/613892132.db2.gz	RAQPPWAMMLRIFP-NOZJJQNGSA-N	-1	0	281.312	0.116	20	30		CCEDRM
CC(C)OC[C@@H](C(=O)[O-])N(C)C(=O)c1ccc(C#N)[nH]1	ZINC000833506021	614025564	/nfs/dbraw/zinc/02/55/64/614025564.db2.gz	QGWQKNGTOYQDQL-NSHDSACASA-N	-1	0	279.296	0.837	20	30		CCEDRM
CC(C)(C)c1n[nH]cc1C=Nn1c(=O)[n-][nH]c1=O	ZINC000814231767	614053652	/nfs/dbraw/zinc/05/36/52/614053652.db2.gz	NCJGFUVAUDWAOK-UHFFFAOYSA-N	-1	0	250.262	0.592	20	30		CCEDRM
CC(C)Oc1cccc(C(=O)[N-]S(=O)(=O)CCC#N)n1	ZINC000835411340	614056778	/nfs/dbraw/zinc/05/67/78/614056778.db2.gz	OPKHLNIXGDFEEZ-UHFFFAOYSA-N	-1	0	297.336	0.842	20	30		CCEDRM
CC(C)(C)c1noc(C=Nn2c(=O)[n-][nH]c2=O)n1	ZINC000814230976	614057763	/nfs/dbraw/zinc/05/77/63/614057763.db2.gz	GFLABPFFBQFQAR-UHFFFAOYSA-N	-1	0	252.234	0.252	20	30		CCEDRM
CC(C)(CNC(=O)[O-])C(=O)N1CCO[C@H](C#N)C1	ZINC000823952742	614102392	/nfs/dbraw/zinc/10/23/92/614102392.db2.gz	UGJXJJMMHYZBNA-MRVPVSSYSA-N	-1	0	255.274	0.031	20	30		CCEDRM
CC(C)(CO)ONC(=O)c1ccc(C#N)c([O-])c1	ZINC000836805630	614123804	/nfs/dbraw/zinc/12/38/04/614123804.db2.gz	LIBBGFOZMRDKRK-UHFFFAOYSA-N	-1	0	250.254	0.696	20	30		CCEDRM
CC(C)[C@@H](O)C1(CNC(=O)[C@](C)(C#N)CC(=O)[O-])CC1	ZINC000819962912	614141417	/nfs/dbraw/zinc/14/14/17/614141417.db2.gz	XWLFZBBUFYIAMX-YPMHNXCESA-N	-1	0	282.340	0.904	20	30		CCEDRM
CC(C)Cn1[n-]c(CC(=O)N(C)C[C@H](C)C#N)cc1=O	ZINC000930488706	614235031	/nfs/dbraw/zinc/23/50/31/614235031.db2.gz	MLEOKHZEPJJRNL-LLVKDONJSA-N	-1	0	278.356	0.993	20	30		CCEDRM
CC(C)[C@H](NC(=O)[O-])C(=O)O[C@@H](C)C(=O)N(C)CCC#N	ZINC000825598227	614235358	/nfs/dbraw/zinc/23/53/58/614235358.db2.gz	HEPRQISUEFCXEV-UWVGGRQHSA-N	-1	0	299.327	0.582	20	30		CCEDRM
CC(C)Cn1[n-]c(CC(=O)NC[C@H](C)C#N)cc1=O	ZINC000932471735	614236670	/nfs/dbraw/zinc/23/66/70/614236670.db2.gz	JJDCNYFHFQFFSJ-SNVBAGLBSA-N	-1	0	264.329	0.651	20	30		CCEDRM
CC(C)=CC(=O)Nc1nc(C#N)c(-c2nn[nH]n2)[n-]1	ZINC000820004815	614284307	/nfs/dbraw/zinc/28/43/07/614284307.db2.gz	DINJGQYUQYCJET-UHFFFAOYSA-N	-1	0	258.245	0.366	20	30		CCEDRM
CC(C)(C#N)CS(=O)(=O)[N-]C(=O)C1(F)CCOCC1	ZINC000870270429	614286887	/nfs/dbraw/zinc/28/68/87/614286887.db2.gz	FRMVNLMICLQLPG-UHFFFAOYSA-N	-1	0	292.332	0.501	20	30		CCEDRM
CC(C)(C#N)CS(=O)(=O)[N-]C(=O)[C@@]1(C)CCOC1	ZINC000755809116	614287107	/nfs/dbraw/zinc/28/71/07/614287107.db2.gz	ISKJOERJYVGBLR-NSHDSACASA-N	-1	0	274.342	0.409	20	30		CCEDRM
CC(C)(C(=O)NCc1n[nH]c(=O)[n-]1)c1ccc(C#N)cc1	ZINC000859832649	614298988	/nfs/dbraw/zinc/29/89/88/614298988.db2.gz	MMXIPMWGJAWOGA-UHFFFAOYSA-N	-1	0	285.307	0.976	20	30		CCEDRM
CC(C)(C)C#CC(=O)N1CCOC[C@@H]1c1nnn[n-]1	ZINC000913496833	614314909	/nfs/dbraw/zinc/31/49/09/614314909.db2.gz	DXVBSDBPHBDKSU-SECBINFHSA-N	-1	0	263.301	0.149	20	30		CCEDRM
CC(C)(C)C(=O)NCCCC(=O)[N-]S(C)(=O)=O	ZINC000042280063	614343309	/nfs/dbraw/zinc/34/33/09/614343309.db2.gz	ABQWCSUGDFBDFS-UHFFFAOYSA-N	-1	0	264.347	0.845	20	30		CCEDRM
CC(C)n1cc(/C=C/C(=O)c2cnc([O-])n(C)c2=O)nn1	ZINC000806573976	614351561	/nfs/dbraw/zinc/35/15/61/614351561.db2.gz	XYUUNKDQGAZBKK-SNAWJCMRSA-N	-1	0	289.295	0.554	20	30		CCEDRM
CC(C)N1CCN(C(=O)[C@@](C)(C#N)CC(=O)[O-])CC1	ZINC000820024934	614357761	/nfs/dbraw/zinc/35/77/61/614357761.db2.gz	KXTGXQCNMYRLBV-CYBMUJFWSA-N	-1	0	267.329	0.544	20	30		CCEDRM
CC(C)N1CC[C@@H](NC(=O)[C@](C)(C#N)CC(=O)[O-])C1=O	ZINC000820024923	614376104	/nfs/dbraw/zinc/37/61/04/614376104.db2.gz	JSWUXSLOCYQXFJ-RNCFNFMXSA-N	-1	0	281.312	0.116	20	30		CCEDRM
CC(CC1(C(=O)[O-])CCC1)=NN[C@@H]1CCS(=O)(=O)C1	ZINC000814680213	614378516	/nfs/dbraw/zinc/37/85/16/614378516.db2.gz	GBQHUMJSIGCZEJ-SNVBAGLBSA-N	-1	0	288.369	0.784	20	30		CCEDRM
CCCCO[C@H](C)C(=O)[N-]S(=O)(=O)CCC#N	ZINC000835413065	614454871	/nfs/dbraw/zinc/45/48/71/614454871.db2.gz	YETPMPWAZSFYLT-SECBINFHSA-N	-1	0	262.331	0.551	20	30		CCEDRM
CCCn1nccc1C([O-])=C(C#N)C(=O)NC1CC1	ZINC000850759151	614552171	/nfs/dbraw/zinc/55/21/71/614552171.db2.gz	MRDZVWRCQFXPBR-SNVBAGLBSA-N	-1	0	260.297	0.894	20	30		CCEDRM
CCCn1nccc1C([O-])=C(C#N)C(=O)NCCCOC	ZINC000850752292	614552282	/nfs/dbraw/zinc/55/22/82/614552282.db2.gz	NCXMPNRNSFSWRM-LLVKDONJSA-N	-1	0	292.339	0.768	20	30		CCEDRM
CCN(CC(=O)N[C@@](C)(C#N)C(C)C)C1CN(C(=O)[O-])C1	ZINC000827002494	614942578	/nfs/dbraw/zinc/94/25/78/614942578.db2.gz	NEHXZWZDTRPKRN-AWEZNQCLSA-N	-1	0	296.371	0.725	20	30		CCEDRM
CCCO[N-]C(=O)CNS(=O)(=O)c1ccc(C#N)cc1	ZINC000844079857	614944498	/nfs/dbraw/zinc/94/44/98/614944498.db2.gz	CAEFGWGSBMXVOF-UHFFFAOYSA-N	-1	0	297.336	0.294	20	30		CCEDRM
CCCOc1cccnc1C(=O)N[C@@H]1CCN(O)C1=O	ZINC000820144452	614953925	/nfs/dbraw/zinc/95/39/25/614953925.db2.gz	WCEMONAHTHCMPQ-SECBINFHSA-N	-1	0	279.296	0.590	20	30		CCEDRM
CC1=CC(=O)C(=C([O-])C=Cc2cn(C)cn2)C(=O)O1	ZINC000800792687	614968346	/nfs/dbraw/zinc/96/83/46/614968346.db2.gz	WCVSCZZQOIHNQK-PCAWENJQSA-N	-1	0	260.249	0.648	20	30		CCEDRM
CC1CC(C#N)(C(=O)NC[C@@]2(C(=O)[O-])CCCOC2)C1	ZINC000923099785	615011200	/nfs/dbraw/zinc/01/12/00/615011200.db2.gz	FZGSAYWQUCYRMJ-AWAWDMARSA-N	-1	0	280.324	0.924	20	30		CCEDRM
CCC[C@H](NC(=O)[C@]1(C#N)CCCOC1)C(=O)[O-]	ZINC000908216920	615045128	/nfs/dbraw/zinc/04/51/28/615045128.db2.gz	LFSTXJRNBSWLPF-CABZTGNLSA-N	-1	0	254.286	0.676	20	30		CCEDRM
CCN(C[C@H](C)C#N)C(=O)CN1CCC[C@H]1CNC(=O)[O-]	ZINC000827019613	615064301	/nfs/dbraw/zinc/06/43/01/615064301.db2.gz	AQMWNXLCGYUKIY-NEPJUHHUSA-N	-1	0	296.371	0.727	20	30		CCEDRM
CCN(C[C@H](C)C#N)C(=O)CN1CCCC[C@H]1C(=O)[O-]	ZINC000820332747	615064370	/nfs/dbraw/zinc/06/43/70/615064370.db2.gz	HTKKYKOJXCXHQO-NEPJUHHUSA-N	-1	0	281.356	0.934	20	30		CCEDRM
CCOC(=O)C(C)(C)O[N-]C(=O)Cc1noc(C)c1C#N	ZINC000855133569	615151487	/nfs/dbraw/zinc/15/14/87/615151487.db2.gz	IUNLBDOIDCIWGZ-UHFFFAOYSA-N	-1	0	295.295	0.787	20	30		CCEDRM
CCOC(=O)CCCn1cnc(-c2nnn[n-]2)c1C#N	ZINC000825512096	615175634	/nfs/dbraw/zinc/17/56/34/615175634.db2.gz	SUZPZPVRGRMZPT-UHFFFAOYSA-N	-1	0	275.272	0.278	20	30		CCEDRM
CCOCC(=O)[N-]S(=O)(=O)Cc1ccc(C#N)cc1	ZINC000916179792	615231660	/nfs/dbraw/zinc/23/16/60/615231660.db2.gz	ZRMFPAFRFHJCMD-UHFFFAOYSA-N	-1	0	282.321	0.541	20	30		CCEDRM
CCOC[C@H]1CCN(C(=O)[C@](C)(C#N)CC(=O)[O-])C1	ZINC000820378198	615320791	/nfs/dbraw/zinc/32/07/91/615320791.db2.gz	XSCWMPBNDCWYJG-GWCFXTLKSA-N	-1	0	268.313	0.876	20	30		CCEDRM
CCO[N-]C(=O)CNC(=O)Cc1c(C)cc(C#N)cc1C	ZINC000911899380	615358407	/nfs/dbraw/zinc/35/84/07/615358407.db2.gz	YIQDIBWLZTYPNW-UHFFFAOYSA-N	-1	0	289.335	0.902	20	30		CCEDRM
CCO[N-]C(=O)CNC(=O)N1CCC(C)(C#N)CC1	ZINC000845539432	615359640	/nfs/dbraw/zinc/35/96/40/615359640.db2.gz	HBFYDHZECPRZPQ-UHFFFAOYSA-N	-1	0	268.317	0.389	20	30		CCEDRM
CCO[N-]C(=O)CNC(=O)NCC1CCC(C#N)CC1	ZINC000845534806	615362827	/nfs/dbraw/zinc/36/28/27/615362827.db2.gz	GMSIRXCYPSLDJY-UHFFFAOYSA-N	-1	0	282.344	0.683	20	30		CCEDRM
CC[C@@H](C#N)NS(=O)(=O)c1cc(C(=O)[O-])co1	ZINC000833636649	615366419	/nfs/dbraw/zinc/36/64/19/615366419.db2.gz	YPUWNUAJNHWEOA-ZETCQYMHSA-N	-1	0	258.255	0.558	20	30		CCEDRM
CC[C@@H](C#N)OC(=O)c1ccc(S(=O)(=O)NC)o1	ZINC000122675121	615367122	/nfs/dbraw/zinc/36/71/22/615367122.db2.gz	ILQVRBIYADBMAZ-ZETCQYMHSA-N	-1	0	272.282	0.647	20	30		CCEDRM
CCO[N-]C(=O)CNC(=O)[C@H](C#N)CCc1ccccc1	ZINC000846491404	615369253	/nfs/dbraw/zinc/36/92/53/615369253.db2.gz	OUGHRACYVRECBR-ZDUSSCGKSA-N	-1	0	289.335	0.943	20	30		CCEDRM
CC[C@@H](NC(=O)Nc1nn(C)cc1C#N)C(=O)[O-]	ZINC000818299069	615529398	/nfs/dbraw/zinc/52/93/98/615529398.db2.gz	QGGRJTWTBWPESU-SSDOTTSWSA-N	-1	0	251.246	0.276	20	30		CCEDRM
CC[C@@H](O)CNN=Cc1[nH]nc2cc(C(=O)[O-])ccc21	ZINC000811654766	615542208	/nfs/dbraw/zinc/54/22/08/615542208.db2.gz	VTQQEBFACQGTRM-SECBINFHSA-N	-1	0	276.296	0.956	20	30		CCEDRM
CC[C@@H](O)CNN=Cc1ccc(OCC(=O)[O-])cc1	ZINC000811655957	615542214	/nfs/dbraw/zinc/54/22/14/615542214.db2.gz	YVTSMPSBDIASMB-LLVKDONJSA-N	-1	0	266.297	0.844	20	30		CCEDRM
CC[C@@H]1C[C@H](C(=O)N[C@H]2CCN(O)C2=O)CCO1	ZINC000816697117	615571254	/nfs/dbraw/zinc/57/12/54/615571254.db2.gz	RRYRXUVOAYCUCS-BBBLOLIVSA-N	-1	0	256.302	0.298	20	30		CCEDRM
CC[C@@](C)(C#N)C(=O)N1CCO[C@@H](CC(=O)[O-])C1	ZINC000923063625	615587878	/nfs/dbraw/zinc/58/78/78/615587878.db2.gz	CAGYMAIMLDMGAA-CABZTGNLSA-N	-1	0	254.286	0.628	20	30		CCEDRM
CC[C@@](C)(CC(=O)[O-])NS(=O)(=O)c1ccc(C#N)nc1	ZINC000828672888	615588360	/nfs/dbraw/zinc/58/83/60/615588360.db2.gz	XLJDQAGPZMLDRY-LBPRGKRZSA-N	-1	0	297.336	0.875	20	30		CCEDRM
CCc1cc(=O)[nH]c(CN(CC#N)CC(=O)[O-])n1	ZINC000830224153	615658851	/nfs/dbraw/zinc/65/88/51/615658851.db2.gz	GKMYMXJSQYIFBN-UHFFFAOYSA-N	-1	0	250.258	0.155	20	30		CCEDRM
CCn1ncc(C([O-])=C(C#N)C(=O)NCCCOC)c1C	ZINC000870134004	615694614	/nfs/dbraw/zinc/69/46/14/615694614.db2.gz	HYDMWCUJXNWIHB-LLVKDONJSA-N	-1	0	292.339	0.687	20	30		CCEDRM
CCn1ncn(N=Cc2cc(C(=O)[O-])cs2)c1=O	ZINC000814233681	615729203	/nfs/dbraw/zinc/72/92/03/615729203.db2.gz	BWPGOXDQZUUVHS-UHFFFAOYSA-N	-1	0	266.282	0.707	20	30		CCEDRM
CCn1ncn(N=Cc2ccc([N+](=O)[O-])c([O-])c2)c1=O	ZINC000814234709	615729551	/nfs/dbraw/zinc/72/95/51/615729551.db2.gz	SXBWJRIXIYCIAK-UHFFFAOYSA-N	-1	0	277.240	0.561	20	30		CCEDRM
CCc1nccn1[C@H](C)CC(=O)N[C@H]1CCCN(O)C1=O	ZINC000848130669	615779852	/nfs/dbraw/zinc/77/98/52/615779852.db2.gz	ONYCZFLVQBPLDB-MNOVXSKESA-N	-1	0	294.355	0.893	20	30		CCEDRM
CCc1nn(CC2(C#N)CC2)c(=O)c(-c2nnn[n-]2)c1CC	ZINC000825762491	615801785	/nfs/dbraw/zinc/80/17/85/615801785.db2.gz	CQFPLSIOWCGGFC-UHFFFAOYSA-N	-1	0	299.338	0.852	20	30		CCEDRM
CN(C)c1ccc(C(=O)[N-]S(=O)(=O)CCC#N)cc1F	ZINC000835408216	616012896	/nfs/dbraw/zinc/01/28/96/616012896.db2.gz	DBQAIOAHOZRQEH-UHFFFAOYSA-N	-1	0	299.327	0.865	20	30		CCEDRM
CN(CCC#N)C(=O)CO[C@@H]1CCCN(C(=O)[O-])C1	ZINC000828272590	616067400	/nfs/dbraw/zinc/06/74/00/616067400.db2.gz	GBFNAXCROKDMKE-SNVBAGLBSA-N	-1	0	269.301	0.517	20	30		CCEDRM
CN(CCS(C)(=O)=O)[C@@H](C(=O)[O-])c1cccc(C#N)c1	ZINC000830794913	616120026	/nfs/dbraw/zinc/12/00/26/616120026.db2.gz	AXQIJSKSHSACPI-GFCCVEGCSA-N	-1	0	296.348	0.660	20	30		CCEDRM
CN(C[C@@H]1CCCO1)C(=O)[C@@](C)(C#N)CC(=O)[O-]	ZINC000820574176	616137958	/nfs/dbraw/zinc/13/79/58/616137958.db2.gz	FDRNQIBRGBSCRT-JOYOIKCWSA-N	-1	0	254.286	0.628	20	30		CCEDRM
CN1C[C@H](C(=O)Nc2cc(C#N)ccc2[O-])NC1=O	ZINC000831271062	616419633	/nfs/dbraw/zinc/41/96/33/616419633.db2.gz	CQHBRESWPPBAOS-SECBINFHSA-N	-1	0	260.253	0.226	20	30		CCEDRM
COCCNC(=O)C(C#N)=C([O-])c1ccn(CC(C)C)n1	ZINC000892492981	616496657	/nfs/dbraw/zinc/49/66/57/616496657.db2.gz	ZKTATMKFFCXVPP-LLVKDONJSA-N	-1	0	292.339	0.624	20	30		CCEDRM
COCCOC[C@H]1CCN(C(=O)[C@@](C)(C#N)CC(=O)[O-])C1	ZINC000820733089	616568893	/nfs/dbraw/zinc/56/88/93/616568893.db2.gz	LUDKOHACWVMJMF-SMDDNHRTSA-N	-1	0	298.339	0.502	20	30		CCEDRM
COC(=O)CN(CC#N)C(=O)C[C@@H]1CCCN1C(=O)[O-]	ZINC000828684345	616586772	/nfs/dbraw/zinc/58/67/72/616586772.db2.gz	TUIUWSVHPIPYSH-VIFPVBQESA-N	-1	0	283.284	0.044	20	30		CCEDRM
COC(=O)CN(CC(=O)[O-])Cc1ccc(F)c(C#N)c1	ZINC000831170989	616588917	/nfs/dbraw/zinc/58/89/17/616588917.db2.gz	WXENTLFLHOENDN-UHFFFAOYSA-N	-1	0	280.255	0.757	20	30		CCEDRM
COC[C@H](NC(=O)[C@]1(C#N)CC2CCC1CC2)C(=O)[O-]	ZINC000923076720	616713202	/nfs/dbraw/zinc/71/32/02/616713202.db2.gz	GDGJQRAGNSJJGE-PTNRUYDSSA-N	-1	0	280.324	0.922	20	30		CCEDRM
COCCn1c(=O)cc([O-])nc1SCCO[C@H](C)C#N	ZINC000802726265	616714458	/nfs/dbraw/zinc/71/44/58/616714458.db2.gz	HDULMHLZVZWLAF-SECBINFHSA-N	-1	0	299.352	0.616	20	30		CCEDRM
COC[C@H](OC)C(=O)Nc1cc(C#N)ccc1[O-]	ZINC000831272110	616757499	/nfs/dbraw/zinc/75/74/99/616757499.db2.gz	QMXFATTURXLQOF-NSHDSACASA-N	-1	0	250.254	0.864	20	30		CCEDRM
COC[C@@H](C#N)OC(=O)[C@@H](Cc1ccccc1)NC(=O)[O-]	ZINC000833882372	616774093	/nfs/dbraw/zinc/77/40/93/616774093.db2.gz	LZGYWCPPOKXVFF-VXGBXAGGSA-N	-1	0	292.291	0.947	20	30		CCEDRM
COC[C@@H](C)C=NN=C1NS(=O)(=O)c2ccccc21	ZINC000755893548	616782534	/nfs/dbraw/zinc/78/25/34/616782534.db2.gz	WFJFACQWAQVAKO-VIFPVBQESA-N	-1	0	281.337	0.993	20	30		CCEDRM
COCC1(S(=O)(=O)[N-]C(=O)CC2(C#N)CC2)CC1	ZINC000816090606	616799813	/nfs/dbraw/zinc/79/98/13/616799813.db2.gz	QIHJPTKHDJKBNA-UHFFFAOYSA-N	-1	0	272.326	0.305	20	30		CCEDRM
COC[C@](C)(C#N)NC(=O)[C@H]1CCC[C@H](NC(=O)[O-])C1	ZINC000828885831	616817292	/nfs/dbraw/zinc/81/72/92/616817292.db2.gz	OXJDXRZXQWBFPM-KWBADKCTSA-N	-1	0	283.328	0.858	20	30		CCEDRM
COCC1CCN(C(=O)[C@](C)(C#N)CC(=O)[O-])CC1	ZINC000820715491	616820885	/nfs/dbraw/zinc/82/08/85/616820885.db2.gz	WJIMEWBFEZQMDR-ZDUSSCGKSA-N	-1	0	268.313	0.876	20	30		CCEDRM
CNC(=O)C(C#N)=C([O-])c1cnn(-c2ccc(F)cc2)n1	ZINC000121806923	616839323	/nfs/dbraw/zinc/83/93/23/616839323.db2.gz	KWGKFYIZEDMXHE-SNVBAGLBSA-N	-1	0	287.254	0.475	20	30		CCEDRM
COCCCNC(=O)C(C#N)=C([O-])c1cnn(CCF)c1	ZINC000808979432	616902369	/nfs/dbraw/zinc/90/23/69/616902369.db2.gz	YYOBMUDIUZKLTQ-LLVKDONJSA-N	-1	0	296.302	0.328	20	30		CCEDRM
COC(=O)c1cnc(NC(=O)[C@](C)(C#N)CC(=O)[O-])s1	ZINC000820693860	616980412	/nfs/dbraw/zinc/98/04/12/616980412.db2.gz	LTAOTUDSNZHDQG-NSHDSACASA-N	-1	0	297.292	0.873	20	30		CCEDRM
COC[C@@](C)(C#N)NC(=O)CC1CCN(C(=O)[O-])CC1	ZINC000828885609	617011355	/nfs/dbraw/zinc/01/13/55/617011355.db2.gz	JBSPQYNNGBBKFD-CYBMUJFWSA-N	-1	0	283.328	0.811	20	30		CCEDRM
COC[C@@](C)(NC(=O)c1ccc(C#N)[nH]1)C(=O)[O-]	ZINC000833720848	617022923	/nfs/dbraw/zinc/02/29/23/617022923.db2.gz	GUVSKCQAUWCULU-LLVKDONJSA-N	-1	0	251.242	0.106	20	30		CCEDRM
COc1cc(C(=O)[O-])ccc1OCC(=O)NCC#N	ZINC000019272863	617168210	/nfs/dbraw/zinc/16/82/10/617168210.db2.gz	YMMSXBZPJLKBJU-UHFFFAOYSA-N	-1	0	264.237	0.412	20	30		CCEDRM
N#Cc1sc(N2CCOC[C@H]2C(=O)[O-])nc1Cl	ZINC000310572046	623353102	/nfs/dbraw/zinc/35/31/02/623353102.db2.gz	ZLKVPHALMHFZRZ-YFKPBYRVSA-N	-1	0	273.701	0.958	20	30		CCEDRM
C#CCN1CCN(C(=O)c2ccc([N+](=O)[O-])c([O-])c2)CC1	ZINC000089784198	624823864	/nfs/dbraw/zinc/82/38/64/624823864.db2.gz	QRZUDCBZNJTMRT-UHFFFAOYSA-N	-1	0	289.291	0.691	20	30		CCEDRM
Cc1[nH]nc(C(=O)N2CCC[C@@H](N(C)CC#N)C2)c1[O-]	ZINC001027371066	625857274	/nfs/dbraw/zinc/85/72/74/625857274.db2.gz	UXCDYBAVQIISDZ-SNVBAGLBSA-N	-1	0	277.328	0.484	20	30		CCEDRM
O=C([N-]C[C@@H](O)C(F)(F)F)C(F)(F)C(F)F	ZINC000229627422	631366537	/nfs/dbraw/zinc/36/65/37/631366537.db2.gz	HCHPCKHIHXCCAF-UWTATZPHSA-N	-1	0	257.105	0.926	20	30		CCEDRM
CC(C)N(CC(=O)[O-])S(=O)(=O)CC1(CC#N)CC1	ZINC000263484863	632905149	/nfs/dbraw/zinc/90/51/49/632905149.db2.gz	MFCGBEMUFZNOMI-UHFFFAOYSA-N	-1	0	274.342	0.805	20	30		CCEDRM
N#Cc1cnn(C(=O)c2ccc([N+](=O)[O-])c([O-])c2)c1N	ZINC000057555953	632919928	/nfs/dbraw/zinc/91/99/28/632919928.db2.gz	VBXKXJFZSUJAFD-UHFFFAOYSA-N	-1	0	273.208	0.639	20	30		CCEDRM
O=C([O-])C#C[C@H]1CCCN(S(=O)(=O)CCC2CC2)C1	ZINC000899925436	633923315	/nfs/dbraw/zinc/92/33/15/633923315.db2.gz	DEJGLJQJTXJTNA-GFCCVEGCSA-N	-1	0	285.365	0.916	20	30		CCEDRM
Cc1n[nH]c(C(=O)N[C@@H]2CCCN(CC#N)[C@H]2C)c1[O-]	ZINC000993221142	637749461	/nfs/dbraw/zinc/74/94/61/637749461.db2.gz	LGZGYCDOQCSNPO-VHSXEESVSA-N	-1	0	277.328	0.530	20	30		CCEDRM
N#C[C@@]1(C(=O)N2CC[C@@](F)(C(=O)[O-])C2)CCCOC1	ZINC000923067396	640014075	/nfs/dbraw/zinc/01/40/75/640014075.db2.gz	URYGXKAKOOPQKA-RYUDHWBXSA-N	-1	0	270.260	0.332	20	30		CCEDRM
N#C[C@]1(C(=O)N[C@H]2C[C@H](C(=O)[O-])C2)CCCOC1	ZINC000923085826	640018324	/nfs/dbraw/zinc/01/83/24/640018324.db2.gz	YIVHNATTXOKFNJ-KBVBSXBZSA-N	-1	0	252.270	0.286	20	30		CCEDRM
CC#CCS(=O)(=O)[N-]C(=O)c1cn2ccccc2n1	ZINC000791110968	640445796	/nfs/dbraw/zinc/44/57/96/640445796.db2.gz	IQPROCVEBOJDOQ-UHFFFAOYSA-N	-1	0	277.305	0.417	20	30		CCEDRM
Cc1nnc(NNC2=CC(=O)N3CCCC[C@H]23)[n-]c1=O	ZINC000799470840	640573969	/nfs/dbraw/zinc/57/39/69/640573969.db2.gz	SSEACHIRGVNTKH-SECBINFHSA-N	-1	0	276.300	0.438	20	30		CCEDRM
N#CC(C(=O)NC1CC1)=C([O-])c1cncc(-n2ccnn2)c1	ZINC000802041439	640684478	/nfs/dbraw/zinc/68/44/78/640684478.db2.gz	WCHPJNHALDJLBX-GFCCVEGCSA-N	-1	0	296.290	0.263	20	30		CCEDRM
O=C([O-])c1ccc2c(C=NNc3nnc[nH]3)n[nH]c2c1	ZINC000807997599	640844789	/nfs/dbraw/zinc/84/47/89/640844789.db2.gz	SOCUPXUCRFHARQ-UHFFFAOYSA-N	-1	0	271.240	0.825	20	30		CCEDRM
N#CCCCC(=O)[N-]S(=O)(=O)C[C@@H]1CCCCO1	ZINC000813064381	641020832	/nfs/dbraw/zinc/02/08/32/641020832.db2.gz	HVBPEUIMUFHRAJ-JTQLQIEISA-N	-1	0	274.342	0.695	20	30		CCEDRM
N#Cc1cncc(S(=O)(=O)[N-]C(=O)c2nccs2)c1	ZINC000813983562	641052239	/nfs/dbraw/zinc/05/22/39/641052239.db2.gz	YMRRKWIDOBLBRY-UHFFFAOYSA-N	-1	0	294.317	0.528	20	30		CCEDRM
Cc1cc(C)cc(-n2ncc(C=Nn3c(=O)[n-][nH]c3=O)n2)c1	ZINC000814231472	641061556	/nfs/dbraw/zinc/06/15/56/641061556.db2.gz	YCGZDWSIAADJAV-UHFFFAOYSA-N	-1	0	299.294	0.769	20	30		CCEDRM
O=c1[n-][nH]c(=O)n1N=Cc1n[nH]nc1-c1ccccc1	ZINC000814231690	641062480	/nfs/dbraw/zinc/06/24/80/641062480.db2.gz	CSOMEMGEJQBUMF-UHFFFAOYSA-N	-1	0	271.240	0.357	20	30		CCEDRM
O=c1[n-][nH]c(=O)n1N=Cc1ccc(-n2cncn2)c(F)c1	ZINC000814232924	641062563	/nfs/dbraw/zinc/06/25/63/641062563.db2.gz	SCUPKTLWAWTQPE-UHFFFAOYSA-N	-1	0	289.230	0.291	20	30		CCEDRM
NC(=O)CNN=Cc1cccc(C(=O)[O-])c1Cl	ZINC000814904148	641082203	/nfs/dbraw/zinc/08/22/03/641082203.db2.gz	UWZLPFGCWROTAC-UHFFFAOYSA-N	-1	0	255.661	0.447	20	30		CCEDRM
C[C@H]1CCC(=NNCC(=O)[O-])[C@@H](n2cncn2)C1	ZINC000814957013	641085125	/nfs/dbraw/zinc/08/51/25/641085125.db2.gz	RJRQBCZZZONAML-WPRPVWTQSA-N	-1	0	251.290	0.669	20	30		CCEDRM
N#CC1(CS(=O)(=O)[N-]C(=O)CCc2cncs2)CC1	ZINC000816014763	641136200	/nfs/dbraw/zinc/13/62/00/641136200.db2.gz	MKAXMDAMDZMAQQ-UHFFFAOYSA-N	-1	0	299.377	0.825	20	30		CCEDRM
CC#CCS(=O)(=O)[N-]C(=O)c1oc(CC)nc1C	ZINC000816056091	641138146	/nfs/dbraw/zinc/13/81/46/641138146.db2.gz	DHCBECGBQAONLT-UHFFFAOYSA-N	-1	0	270.310	0.628	20	30		CCEDRM
Cc1[nH]c(C=NN[C@@H]2CCC[C@H]2O)cc1C(=O)[O-]	ZINC000817337388	641254191	/nfs/dbraw/zinc/25/41/91/641254191.db2.gz	VDCFFXKQOGYFMK-GHMZBOCLSA-N	-1	0	251.286	0.858	20	30		CCEDRM
COc1ccn2c(c1)ncc2C([O-])=C(C#N)C(=O)NC1CC1	ZINC000819943003	641440809	/nfs/dbraw/zinc/44/08/09/641440809.db2.gz	APTBWWDETILBTR-LLVKDONJSA-N	-1	0	298.302	0.944	20	30		CCEDRM
O=C(C[C@H]1OCc2ccccc21)N[C@@H]1CCN(O)C1=O	ZINC000820131678	641464538	/nfs/dbraw/zinc/46/45/38/641464538.db2.gz	KKGQFXWACYQYNB-VXGBXAGGSA-N	-1	0	276.292	0.754	20	30		CCEDRM
C#C[C@H](NC(=O)c1cccc(-n2[n-]nnc2=N)c1)C(C)C	ZINC000822666724	641692124	/nfs/dbraw/zinc/69/21/24/641692124.db2.gz	LNGIKDASOIBEFM-LBPRGKRZSA-N	-1	0	284.323	0.462	20	30		CCEDRM
CSCCO[N-]C(=O)C(=O)Nc1cccc(C#N)n1	ZINC000832398094	642475251	/nfs/dbraw/zinc/47/52/51/642475251.db2.gz	REQCQXPJKXCIJK-UHFFFAOYSA-N	-1	0	280.309	0.303	20	30		CCEDRM
C[C@H](CO)NN=C1CCC[C@H]1[C@H]1COCCN1C(=O)[O-]	ZINC000833809883	642542816	/nfs/dbraw/zinc/54/28/16/642542816.db2.gz	UUPLFFDCIJISAD-CKYFFXLPSA-N	-1	0	285.344	0.492	20	30		CCEDRM
NC(=O)CON=C1C[C@@H](NC(=O)[O-])c2ccccc21	ZINC000833984534	642544657	/nfs/dbraw/zinc/54/46/57/642544657.db2.gz	FTFSXJRYWDUBAK-SECBINFHSA-N	-1	0	263.253	0.605	20	30		CCEDRM
C#CCO[C@@H](C)C(=O)[N-]S(=O)(=O)c1ccc(F)cc1	ZINC000835028373	642646333	/nfs/dbraw/zinc/64/63/33/642646333.db2.gz	HYQCBTPIVPBZTL-VIFPVBQESA-N	-1	0	285.296	0.669	20	30		CCEDRM
C[C@@H]1Cc2cccc(C(=O)[N-]S(=O)(=O)CCC#N)c2O1	ZINC000835409790	642661013	/nfs/dbraw/zinc/66/10/13/642661013.db2.gz	MINUQDLTPXIELR-SECBINFHSA-N	-1	0	294.332	0.983	20	30		CCEDRM
N#CCCS(=O)(=O)[N-]C(=O)[C@@H]1CCc2ccccc2O1	ZINC000842354799	642893438	/nfs/dbraw/zinc/89/34/38/642893438.db2.gz	RWAMVBDDRJTHBJ-LBPRGKRZSA-N	-1	0	294.332	0.740	20	30		CCEDRM
N#Cc1c[n-]c(=O)n(CC[C@@H]2CC2(Cl)Cl)c1=O	ZINC000842613906	642914981	/nfs/dbraw/zinc/91/49/81/642914981.db2.gz	FIZCVGAHPUWCRS-SSDOTTSWSA-N	-1	0	274.107	0.992	20	30		CCEDRM
N#CC1(CS(=O)(=O)[N-]C(=O)[C@H]2CCC(=O)C2)CC1	ZINC000842755394	642945489	/nfs/dbraw/zinc/94/54/89/642945489.db2.gz	YPABIZFZMAOLPG-QMMMGPOBSA-N	-1	0	270.310	0.105	20	30		CCEDRM
N#Cc1ccc(S(=O)(=O)[N-]C(CF)CF)o1	ZINC000885414380	643430406	/nfs/dbraw/zinc/43/04/06/643430406.db2.gz	YAGATTRGATWYSM-UHFFFAOYSA-N	-1	0	250.226	0.737	20	30		CCEDRM
C[C@@H](CC#N)C(=O)[N-]S(=O)(=O)c1ncn(C)c1Cl	ZINC000850798086	643813824	/nfs/dbraw/zinc/81/38/24/643813824.db2.gz	HNQBLBGMXXRXOE-LURJTMIESA-N	-1	0	290.732	0.428	20	30		CCEDRM
N#CCCCS(=O)(=O)N[C@@H]1CC=C(C(=O)[O-])C1	ZINC000853069824	644072223	/nfs/dbraw/zinc/07/22/23/644072223.db2.gz	SMXUTNZVXNFZQY-SECBINFHSA-N	-1	0	258.299	0.383	20	30		CCEDRM
C[C@@H]1C(=O)N(N=Cc2ccc([O-])c([N+](=O)[O-])c2)C(=O)N1C	ZINC000857217745	644483409	/nfs/dbraw/zinc/48/34/09/644483409.db2.gz	WYPXNWJFEJYTFR-SSDOTTSWSA-N	-1	0	292.251	0.917	20	30		CCEDRM
N#Cc1nccc(N2CC(C[N-]C(=O)C(F)(F)F)C2)n1	ZINC000866294422	645514966	/nfs/dbraw/zinc/51/49/66/645514966.db2.gz	PIRYCTAGVJWAII-UHFFFAOYSA-N	-1	0	285.229	0.463	20	30		CCEDRM
C=CCSCCNS(=O)(=O)N=[S@@](C)(=O)CC	ZINC000866647100	645559703	/nfs/dbraw/zinc/55/97/03/645559703.db2.gz	BSACILJZQYWXJN-HNNXBMFYSA-N	-1	0	286.444	0.858	20	30		CCEDRM
O=C(CCC1(O)CCC1)N[C@H]1CCCN(O)C1=O	ZINC000868561957	645786620	/nfs/dbraw/zinc/78/66/20/645786620.db2.gz	ATVIJBXXQDZPRD-VIFPVBQESA-N	-1	0	256.302	0.178	20	30		CCEDRM
C[C@@H](NC(=O)c1ccccc1)C(=O)[N-]S(C)(=O)=O	ZINC000048479262	649322196	/nfs/dbraw/zinc/32/21/96/649322196.db2.gz	ASFRKVPBHKYWER-MRVPVSSYSA-N	-1	0	270.310	0.721	20	30		CCEDRM
O=C(CCn1cccn1)[N-]S(=O)(=O)N1CCCCC1	ZINC000048869730	649327301	/nfs/dbraw/zinc/32/73/01/649327301.db2.gz	IYIPIMROZWILES-UHFFFAOYSA-N	-1	0	286.357	0.960	20	30		CCEDRM
C[C@@H](NC(=O)C(C)(C)C)C(=O)[N-]S(C)(=O)=O	ZINC000077943408	649462536	/nfs/dbraw/zinc/46/25/36/649462536.db2.gz	XGHFWLAYBJPIMM-ZCFIWIBFSA-N	-1	0	250.320	0.453	20	30		CCEDRM
C=CCN(CC(=O)[O-])C(=O)c1c([N+](=O)[O-])c(C)nn1C	ZINC000191275660	649470836	/nfs/dbraw/zinc/47/08/36/649470836.db2.gz	LNNZGPMPMNRUDU-UHFFFAOYSA-N	-1	0	282.256	0.350	20	30		CCEDRM
CCOCC(=O)[N-]S(=O)(=O)Cc1cccc(C#N)c1	ZINC000195495959	649601867	/nfs/dbraw/zinc/60/18/67/649601867.db2.gz	KHPAKYOQKUOCJU-UHFFFAOYSA-N	-1	0	282.321	0.541	20	30		CCEDRM
CO[C@H](C)CC(=O)[N-]S(=O)(=O)Cc1ccc(C#N)cc1	ZINC000195490530	649602071	/nfs/dbraw/zinc/60/20/71/649602071.db2.gz	DVSDXJTZWNFGEO-SNVBAGLBSA-N	-1	0	296.348	0.929	20	30		CCEDRM
N#Cc1ccc(N2CCOC[C@@H]2C(=O)[O-])c(F)c1	ZINC000088377185	649639433	/nfs/dbraw/zinc/63/94/33/649639433.db2.gz	MNXVSMCIRMKBOB-LLVKDONJSA-N	-1	0	250.229	0.987	20	30		CCEDRM
CC[C@@H](C#CC(=O)OC)Oc1nc(Cl)[n-]c(=O)n1	ZINC001230241142	805586872	/nfs/dbraw/zinc/58/68/72/805586872.db2.gz	VRSLOMDOXJFGSZ-LURJTMIESA-N	-1	0	271.660	0.564	20	30		CCEDRM
N#Cc1ccc([O-])c(CN2CCn3nncc3C2)c1	ZINC001232677224	805970538	/nfs/dbraw/zinc/97/05/38/805970538.db2.gz	DAGXFIIIGINFHZ-UHFFFAOYSA-N	-1	0	255.281	0.871	20	30		CCEDRM
COC(OC)c1c(C#N)ccnc1N[C@@H]1CO[N-]C1=O	ZINC001167511219	791497037	/nfs/dbraw/zinc/49/70/37/791497037.db2.gz	XAYOUVGFIROPKM-MRVPVSSYSA-N	-1	0	278.268	0.087	20	30		CCEDRM
C=CCN(CC(=O)[O-])c1nc(OC)cc(OC)n1	ZINC000134993880	791532369	/nfs/dbraw/zinc/53/23/69/791532369.db2.gz	BWRPUVQXPUHFAX-UHFFFAOYSA-N	-1	0	253.258	0.571	20	30		CCEDRM
C=CC[C@@H](CCCC)Oc1c([O-])c(=O)c(=O)c(=O)c1=O	ZINC001234379487	806235740	/nfs/dbraw/zinc/23/57/40/806235740.db2.gz	VLAXMUKXDOWWLZ-QMMMGPOBSA-N	-1	0	280.276	0.222	20	30		CCEDRM
N#Cc1ccc2oc(OC(=O)[C@H](O)CCC(=O)[O-])nc2c1	ZINC001234454986	806247413	/nfs/dbraw/zinc/24/74/13/806247413.db2.gz	AGVZAEGRMLTJAV-SECBINFHSA-N	-1	0	290.231	0.831	20	30		CCEDRM
CC#CC[C@H](NC(=O)OC(C)(C)C)C(=O)[N-]OC	ZINC001120553172	798863760	/nfs/dbraw/zinc/86/37/60/798863760.db2.gz	WSNGLGSSSHTSFW-VIFPVBQESA-N	-1	0	256.302	0.971	20	30		CCEDRM
CCC(C)(C)CNc1[n-]c(=O)n(C)c(=O)c1C#N	ZINC001120841408	798947104	/nfs/dbraw/zinc/94/71/04/798947104.db2.gz	WDNGQDPZKKZJNV-UHFFFAOYSA-N	-1	0	250.302	0.793	20	30		CCEDRM
C=C1CCN(c2nnc(-c3cc(=O)[nH][n-]3)n2C)CC1	ZINC001121350263	799034573	/nfs/dbraw/zinc/03/45/73/799034573.db2.gz	CZFDVQKGXYOWTH-UHFFFAOYSA-N	-1	0	260.301	0.196	20	30		CCEDRM
C=CCn1c(-c2cc(=O)[nH][n-]2)nnc1N(C)C1CC1	ZINC001121663328	799063895	/nfs/dbraw/zinc/06/38/95/799063895.db2.gz	RJDGYJNOMQXNID-UHFFFAOYSA-N	-1	0	260.301	0.287	20	30		CCEDRM
C#C[C@@H]1CCCCN1c1nnc(-c2nn[nH]n2)n1CC	ZINC001121679218	799064956	/nfs/dbraw/zinc/06/49/56/799064956.db2.gz	MHHXUIJRRBYYCM-SECBINFHSA-N	-1	0	272.316	0.470	20	30		CCEDRM
COCc1nocc1C([O-])=C(C#N)C(=O)NC1CC1	ZINC001122422731	799230748	/nfs/dbraw/zinc/23/07/48/799230748.db2.gz	JZQPZKQXLAIXON-MRVPVSSYSA-N	-1	0	263.253	0.422	20	30		CCEDRM
C=CCn1cc(C(=O)N2CC[C@H]([C@H](F)C(=O)[O-])C2)nn1	ZINC001123384546	799401771	/nfs/dbraw/zinc/40/17/71/799401771.db2.gz	MMRUETUQKNBJER-WPRPVWTQSA-N	-1	0	282.275	0.349	20	30		CCEDRM
COc1ccc(OCCN(CC#N)CC(=O)[O-])cc1	ZINC000832444626	799767998	/nfs/dbraw/zinc/76/79/98/799767998.db2.gz	SLWVUGYRJGQWJF-UHFFFAOYSA-N	-1	0	264.281	0.984	20	30		CCEDRM
Cc1cc(C#N)c(=O)[n-]c1C(=O)N(C)CCOCCO	ZINC001139127892	799783758	/nfs/dbraw/zinc/78/37/58/799783758.db2.gz	FPAWAYKTBRTUTG-UHFFFAOYSA-N	-1	0	279.296	0.048	20	30		CCEDRM
CC[C@]1(C)NC(=O)N([N-]C(=O)c2coc(C#N)c2)C1=O	ZINC001139682620	799829198	/nfs/dbraw/zinc/82/91/98/799829198.db2.gz	GHOISAWEGPKNTO-LBPRGKRZSA-N	-1	0	276.252	0.517	20	30		CCEDRM
N#Cc1c[nH]c2cc(C(=O)NCc3n[nH]c(=O)[n-]3)ccc12	ZINC001149297917	800244877	/nfs/dbraw/zinc/24/48/77/800244877.db2.gz	XEHCTQWFRUKFFP-UHFFFAOYSA-N	-1	0	282.263	0.793	20	30		CCEDRM
N#Cc1c(N)nn(C(=O)c2ccc3cccnc3c2[O-])c1N	ZINC001149314968	800246946	/nfs/dbraw/zinc/24/69/46/800246946.db2.gz	QYJJRSFXOINNKT-UHFFFAOYSA-N	-1	0	294.274	0.861	20	30		CCEDRM
Cc1nn(CC(=O)Nc2cc(C#N)ccc2[O-])c(=O)o1	ZINC001152999605	800578917	/nfs/dbraw/zinc/57/89/17/800578917.db2.gz	AOVCQCDDBHFXMC-UHFFFAOYSA-N	-1	0	274.236	0.361	20	30		CCEDRM
C#C[C@H](NC(=O)Cn1c(=O)[n-][nH]c1=O)c1ccc(F)cc1	ZINC001159132020	801763973	/nfs/dbraw/zinc/76/39/73/801763973.db2.gz	BWRSERNNVOCGAY-JTQLQIEISA-N	-1	0	290.254	0.319	20	30		CCEDRM
Cc1ccc(Nc2[n-]c(=O)n(C)c(=O)c2C#N)cc1	ZINC001161974148	802260726	/nfs/dbraw/zinc/26/07/26/802260726.db2.gz	AFQHBVHHNOZXNH-UHFFFAOYSA-N	-1	0	256.265	0.997	20	30		CCEDRM
C=C[C@H](O)C(=O)N[C@@H](c1nc(=O)o[n-]1)C(C)(C)C	ZINC001162936936	802440199	/nfs/dbraw/zinc/44/01/99/802440199.db2.gz	VYGBQKCZMLTDNK-BQBZGAKWSA-N	-1	0	255.274	0.113	20	30		CCEDRM
N#Cc1ncccc1[N-]S(=O)(=O)C1CCOCC1	ZINC001259907978	808798022	/nfs/dbraw/zinc/79/80/22/808798022.db2.gz	OLCMAKWISYCTMW-UHFFFAOYSA-N	-1	0	267.310	0.874	20	30		CCEDRM
C=CCS(=O)(=O)[N-]c1nccnc1C(=O)OC	ZINC001259922713	808803847	/nfs/dbraw/zinc/80/38/47/808803847.db2.gz	SGTLCQIHTXGFDB-UHFFFAOYSA-N	-1	0	257.271	0.191	20	30		CCEDRM
C=CCS(=O)(=O)[N-]c1c(C#N)cnn1C(=O)OC	ZINC001259934328	808810090	/nfs/dbraw/zinc/81/00/90/808810090.db2.gz	NCAPHTZYAFRHJL-UHFFFAOYSA-N	-1	0	270.270	0.297	20	30		CCEDRM
C=CCS(=O)(=O)[N-][C@@H](C(=O)OC)C(F)(F)F	ZINC001259934965	808810567	/nfs/dbraw/zinc/81/05/67/808810567.db2.gz	KCFONOMTOHOBKF-YFKPBYRVSA-N	-1	0	261.221	0.196	20	30		CCEDRM
N#CCc1nc(Cl)cc(N[C@H]2SC(=O)[N-]C2=O)n1	ZINC001163661982	802583518	/nfs/dbraw/zinc/58/35/18/802583518.db2.gz	IGFGNISBYGXMCL-QMMMGPOBSA-N	-1	0	283.700	0.917	20	30		CCEDRM
COc1cc(C#N)cnc1N[C@H]1SC(=O)[N-]C1=O	ZINC001163662096	802585417	/nfs/dbraw/zinc/58/54/17/802585417.db2.gz	KBDZHLQWCNXNNH-VIFPVBQESA-N	-1	0	264.266	0.683	20	30		CCEDRM
C=C(Cl)CNS(=O)(=O)[C@@H]1CCC[C@H]1C(=O)[O-]	ZINC001465107067	804085246	/nfs/dbraw/zinc/08/52/46/804085246.db2.gz	LIBDPZBEKGYVIX-HTQZYQBOSA-N	-1	0	267.734	0.912	20	30		CCEDRM
C=CCC[C@@H](NS(=O)(=O)CCCC(=O)OC)C(=O)[O-]	ZINC000316229638	804681708	/nfs/dbraw/zinc/68/17/08/804681708.db2.gz	BMIDHEXWKMJSEV-SECBINFHSA-N	-1	0	293.341	0.278	20	30		CCEDRM
C=CCC[C@@H](NC(=O)NCCc1ccn(C)n1)C(=O)[O-]	ZINC000316566530	804710590	/nfs/dbraw/zinc/71/05/90/804710590.db2.gz	FYCOQRNKDUSWPU-LLVKDONJSA-N	-1	0	280.328	0.681	20	30		CCEDRM
C=CCOC[C@@H](CS(=O)(=O)[O-])OCc1ccncn1	ZINC001223204346	804959334	/nfs/dbraw/zinc/95/93/34/804959334.db2.gz	KENJIXJGELVQTJ-NSHDSACASA-N	-1	0	288.325	0.452	20	30		CCEDRM
C=CCOC[C@H](CS(=O)(=O)[O-])OCc1nonc1C	ZINC001223984726	805000016	/nfs/dbraw/zinc/00/00/16/805000016.db2.gz	PFGRITBCWVZJSI-SECBINFHSA-N	-1	0	292.313	0.354	20	30		CCEDRM
CC[C@@H](C#CC(=O)OC)OCCCS(=O)(=O)[O-]	ZINC001224900779	805090667	/nfs/dbraw/zinc/09/06/67/805090667.db2.gz	YVOITGCJHCDZFJ-VIFPVBQESA-N	-1	0	264.299	0.236	20	30		CCEDRM
COCC(COC)Oc1[n-]c(=O)c(F)cc1C#N	ZINC001226014393	805185364	/nfs/dbraw/zinc/18/53/64/805185364.db2.gz	WLPPGEGFZGTCIS-UHFFFAOYSA-N	-1	0	256.233	0.838	20	30		CCEDRM
C#C[C@H](C)Oc1nc(=O)[n-]c(C(=O)OCC)c1[N+](=O)[O-]	ZINC001226018782	805187313	/nfs/dbraw/zinc/18/73/13/805187313.db2.gz	RUOZIOILNLNXKN-LURJTMIESA-N	-1	0	281.224	0.668	20	30		CCEDRM
C=CCOC[C@@H](CS(=O)(=O)[O-])OCC(=O)CC	ZINC001204870804	815056274	/nfs/dbraw/zinc/05/62/74/815056274.db2.gz	MYGGOKZJCIUPGA-JTQLQIEISA-N	-1	0	266.315	0.441	20	30		CCEDRM
CC[C@H](C#CC(=O)OC)Oc1[n-]c(=O)ncc1[N+](=O)[O-]	ZINC001226336054	805221087	/nfs/dbraw/zinc/22/10/87/805221087.db2.gz	MHLJBTLFJYAOBQ-SSDOTTSWSA-N	-1	0	281.224	0.424	20	30		CCEDRM
C=CCOC[C@H](CS(=O)(=O)[O-])Oc1ccnnc1	ZINC001226911043	805296536	/nfs/dbraw/zinc/29/65/36/805296536.db2.gz	HCYWLFGQXLTKQV-SNVBAGLBSA-N	-1	0	274.298	0.314	20	30		CCEDRM
N#Cc1cc(F)ccc1OC(=O)[C@@H](O)CC(=O)[O-]	ZINC001227025957	805310507	/nfs/dbraw/zinc/31/05/07/805310507.db2.gz	SCMPUSOYJRWTCU-QMMMGPOBSA-N	-1	0	253.185	0.438	20	30		CCEDRM
C=CCOCC(COCC=C)Oc1nc(=O)[n-]c(=O)[nH]1	ZINC001227565809	805365778	/nfs/dbraw/zinc/36/57/78/805365778.db2.gz	BYUOMAPEXDJVSW-UHFFFAOYSA-N	-1	0	283.284	0.435	20	30		CCEDRM
N#CCN1CC[C@@H](Oc2[n-]c(=O)nc3ncsc32)C1	ZINC001227608767	805370924	/nfs/dbraw/zinc/37/09/24/805370924.db2.gz	CUHLQKZXPIRGTI-SSDOTTSWSA-N	-1	0	277.309	0.769	20	30		CCEDRM
COC(=O)c1cc(=O)c(OC2CN(CCC#N)C2)c[n-]1	ZINC001227786626	805389353	/nfs/dbraw/zinc/38/93/53/805389353.db2.gz	UKEDVPRKPLCHJV-UHFFFAOYSA-N	-1	0	277.280	0.138	20	30		CCEDRM
N#Cc1ccc2ncnc(OC(=O)[C@H](O)CC(=O)[O-])c2c1	ZINC001229103617	805503914	/nfs/dbraw/zinc/50/39/14/805503914.db2.gz	BRKZIIPTZXMGBA-SNVBAGLBSA-N	-1	0	287.231	0.242	20	30		CCEDRM
CC[C@H](C#CC(=O)OC)Oc1nc(C)[n-]c(=O)c1[N+](=O)[O-]	ZINC001229380176	805527654	/nfs/dbraw/zinc/52/76/54/805527654.db2.gz	ZIQOOEJWUNNXSL-MRVPVSSYSA-N	-1	0	295.251	0.733	20	30		CCEDRM
C=C[C@@H]1O[C@H](Oc2ncnc(=O)[n-]2)[C@H]2OC(C)(C)O[C@@H]12	ZINC001229608647	805544358	/nfs/dbraw/zinc/54/43/58/805544358.db2.gz	CKVZRNAMAGCRAF-XSPKLOCKSA-N	-1	0	281.268	0.387	20	30		CCEDRM
N#Cc1ccnc(N2CCC(Oc3ncnc(=O)[n-]3)CC2)c1	ZINC001229610120	805545600	/nfs/dbraw/zinc/54/56/00/805545600.db2.gz	NUKYGRYGOKZHTO-UHFFFAOYSA-N	-1	0	298.306	0.892	20	30		CCEDRM
N#Cc1c[nH]c2ncnc(-c3cnn(CC(=O)[O-])c3)c12	ZINC001242180104	806992403	/nfs/dbraw/zinc/99/24/03/806992403.db2.gz	HCBSCPCDPITADB-UHFFFAOYSA-N	-1	0	268.236	0.778	20	30		CCEDRM
COc1nc(C)nc(-c2cnn(CC(=O)[O-])c2)c1C#N	ZINC001242181574	806994303	/nfs/dbraw/zinc/99/43/03/806994303.db2.gz	FOTXLKFFBYSFSO-UHFFFAOYSA-N	-1	0	273.252	0.613	20	30		CCEDRM
C#CCCc1cc(=O)n(CCCN2CCOCC2)[n-]1	ZINC001245952014	807102600	/nfs/dbraw/zinc/10/26/00/807102600.db2.gz	NLZZZWOTWHTXHL-UHFFFAOYSA-N	-1	0	263.341	0.877	20	30		CCEDRM
COc1ncnc([N-]S(=O)(=O)C(C)C)c1C#N	ZINC001252438931	807854328	/nfs/dbraw/zinc/85/43/28/807854328.db2.gz	PMLXQYMBSYQKKH-UHFFFAOYSA-N	-1	0	256.287	0.507	20	30		CCEDRM
C#Cc1cnc([N-]S(=O)(=O)CC(F)(F)F)c(C#C)n1	ZINC001253117644	808006894	/nfs/dbraw/zinc/00/68/94/808006894.db2.gz	GPPVBZUJPJIODQ-UHFFFAOYSA-N	-1	0	289.238	0.743	20	30		CCEDRM
CCCS(=O)(=O)[N-]c1c(C#N)cnc2c(C#N)cnn21	ZINC001253626516	808097858	/nfs/dbraw/zinc/09/78/58/808097858.db2.gz	JARQPFZJEZDNID-UHFFFAOYSA-N	-1	0	290.308	0.624	20	30		CCEDRM
C#CC[S@@](=O)Cc1cn(-c2cccc(C(=O)[O-])c2)nn1	ZINC001254098630	808181805	/nfs/dbraw/zinc/18/18/05/808181805.db2.gz	LHHYIWIYBVMBFE-HXUWFJFHSA-N	-1	0	289.316	0.847	20	30		CCEDRM
Cc1noc(C)c1S(=O)(=O)[N-]c1cn(C)nc1C#N	ZINC001258531046	808693052	/nfs/dbraw/zinc/69/30/52/808693052.db2.gz	LXRZBQUIMFPYLQ-UHFFFAOYSA-N	-1	0	281.297	0.697	20	30		CCEDRM
COC(=O)CS(=O)(=O)[N-]c1scc(C)c1C#N	ZINC001259016795	808715360	/nfs/dbraw/zinc/71/53/60/808715360.db2.gz	AHRJRNQHWLRUMS-UHFFFAOYSA-N	-1	0	274.323	0.843	20	30		CCEDRM
Cn1cc(S(=O)(=O)[N-]c2oncc2C#N)cn1	ZINC001259820862	808776431	/nfs/dbraw/zinc/77/64/31/808776431.db2.gz	URCYSOSBXPVETD-UHFFFAOYSA-N	-1	0	253.243	0.081	20	30		CCEDRM
C=CCS(=O)(=O)[N-]c1cn(C)c(C(=O)OCC)n1	ZINC001259923710	808805713	/nfs/dbraw/zinc/80/57/13/808805713.db2.gz	XQNIIXKVHADBDB-UHFFFAOYSA-N	-1	0	273.314	0.525	20	30		CCEDRM
C=CCS(=O)(=O)[N-]c1cccc2c1C(=O)NCC2	ZINC001259931319	808808045	/nfs/dbraw/zinc/80/80/45/808808045.db2.gz	DNYANYOEWATVNC-UHFFFAOYSA-N	-1	0	266.322	0.900	20	30		CCEDRM
Cn1ccc(S(=O)(=O)[N-]c2cnccc2C#N)n1	ZINC001259937847	808811999	/nfs/dbraw/zinc/81/19/99/808811999.db2.gz	VBLMAHWUXKSZJM-UHFFFAOYSA-N	-1	0	263.282	0.488	20	30		CCEDRM
Cc1cc([N-]S(=O)(=O)c2ccn(C)n2)cnc1C#N	ZINC001259938276	808813641	/nfs/dbraw/zinc/81/36/41/808813641.db2.gz	KTYMMKOCAWDXIN-UHFFFAOYSA-N	-1	0	277.309	0.796	20	30		CCEDRM
CC(C)n1ncc(C#N)c1[N-]S(=O)(=O)c1cn[nH]c1	ZINC001260954532	808887297	/nfs/dbraw/zinc/88/72/97/808887297.db2.gz	QBXPCJZRTDQNAD-UHFFFAOYSA-N	-1	0	280.313	0.860	20	30		CCEDRM
Cc1ncc(C#N)cc1[N-]S(=O)(=O)c1cn[nH]c1	ZINC001260954564	808887816	/nfs/dbraw/zinc/88/78/16/808887816.db2.gz	RORVDAMKJQUPEZ-UHFFFAOYSA-N	-1	0	263.282	0.786	20	30		CCEDRM
C=CC[C@H](NC(=O)c1cc(=O)n(C)[n-]1)C(=O)OCC	ZINC001261737260	809069041	/nfs/dbraw/zinc/06/90/41/809069041.db2.gz	JKJROHHGGBKPMW-QMMMGPOBSA-N	-1	0	267.285	0.363	20	30		CCEDRM
C=CC[C@@H](NC(=O)CCc1ccnc(C)n1)C(=O)[O-]	ZINC001262177556	809223347	/nfs/dbraw/zinc/22/33/47/809223347.db2.gz	YQXKMXCCCDELJH-LLVKDONJSA-N	-1	0	263.297	0.863	20	30		CCEDRM
C=CCO[N-]C(=O)C(=O)Nc1ccnn1C1CC1	ZINC001262716015	809403746	/nfs/dbraw/zinc/40/37/46/809403746.db2.gz	RPSXBRUPNOKLQC-UHFFFAOYSA-N	-1	0	250.258	0.390	20	30		CCEDRM
CCn1ncc(C(=O)C(C#N)=C([O-])c2nccn2C)n1	ZINC001263382587	809514900	/nfs/dbraw/zinc/51/49/00/809514900.db2.gz	BHLNUVRXTZOWKG-QMMMGPOBSA-N	-1	0	272.268	0.237	20	30		CCEDRM
Cn1ccnc1C([O-])=C(C#N)C(=O)CCc1ncccn1	ZINC001263382544	809515337	/nfs/dbraw/zinc/51/53/37/809515337.db2.gz	ABBZZTSCUKDPRG-SNVBAGLBSA-N	-1	0	283.291	0.734	20	30		CCEDRM
C=CCN(CC(=O)[O-])C(=O)COCc1cc(C)on1	ZINC001263630216	809544010	/nfs/dbraw/zinc/54/40/10/809544010.db2.gz	DXIZXZSOOSJKKX-UHFFFAOYSA-N	-1	0	268.269	0.599	20	30		CCEDRM
C=C[C@@H]1O[C@H](OCC[P@@](=O)([O-])O)[C@H]2OC(C)(C)O[C@@H]12	ZINC001224602897	815319346	/nfs/dbraw/zinc/31/93/46/815319346.db2.gz	UCSBZCKPQFUVMI-XKNYDFJKSA-N	-1	0	294.240	0.612	20	30		CCEDRM
Cc1nn(C)c([N-]S(=O)(=O)CC2(F)CC2)c1C#N	ZINC000903642252	815471896	/nfs/dbraw/zinc/47/18/96/815471896.db2.gz	MFWAXALWKQIJKD-UHFFFAOYSA-N	-1	0	272.305	0.844	20	30		CCEDRM
C#CCN1CC(NC(=O)c2cc(=O)[nH]c(C3CC3)n2)C1	ZINC001030491923	816063718	/nfs/dbraw/zinc/06/37/18/816063718.db2.gz	YHKADZAKTNENME-UHFFFAOYSA-N	-1	0	272.308	0.107	20	30		CCEDRM
COCCNC(=O)C(C#N)=C([O-])c1cc(C#N)cs1	ZINC000176459828	816562390	/nfs/dbraw/zinc/56/23/90/816562390.db2.gz	UCDWVTURAOGOOH-SECBINFHSA-N	-1	0	277.305	0.705	20	30		CCEDRM
CCc1cc(C([O-])=C(C#N)C(=O)NC2CC2)nn1C	ZINC001122415678	816691325	/nfs/dbraw/zinc/69/13/25/816691325.db2.gz	YPXDNGCYBDVVQF-JTQLQIEISA-N	-1	0	260.297	0.584	20	30		CCEDRM
N#Cc1c(N)nn(-c2ccc(C(=O)[O-])c(F)c2F)c1N	ZINC001212511701	818642133	/nfs/dbraw/zinc/64/21/33/818642133.db2.gz	AKFUXGBCUSBIAT-UHFFFAOYSA-N	-1	0	279.206	0.885	20	30		CCEDRM
CNC(=O)C(C#N)=C([O-])c1cc(OC)cc(OC)c1	ZINC000133195352	818671675	/nfs/dbraw/zinc/67/16/75/818671675.db2.gz	DCRAMQXIEKGTPU-NSHDSACASA-N	-1	0	262.265	0.772	20	30		CCEDRM
N#Cc1ccc([N+](=O)[O-])c(N[C@H]2SC(=O)[N-]C2=O)n1	ZINC001155844075	822261284	/nfs/dbraw/zinc/26/12/84/822261284.db2.gz	UVPUCQDMYNXSRB-QMMMGPOBSA-N	-1	0	279.237	0.582	20	30		CCEDRM
C[C@@H](C#N)N(C)C(=O)COc1ccc(OCC(=O)[O-])cc1	ZINC001183907089	844119132	/nfs/dbraw/zinc/11/91/32/844119132.db2.gz	RVNPSBMJXPXBRE-JTQLQIEISA-N	-1	0	292.291	0.899	20	30		CCEDRM
CO[C@@H]1COCC[C@H]1NC(=O)CCC(=O)C1=CC=C[CH]1	ZINC001184243794	844187606	/nfs/dbraw/zinc/18/76/06/844187606.db2.gz	JITHZDXYBRBYAQ-TZMCWYRMSA-N	-1	0	278.328	0.956	20	30		CCEDRM
O=C(CCC(=O)C1=CC=C[CH]1)NC1(CCO)COC1	ZINC001184243258	844187842	/nfs/dbraw/zinc/18/78/42/844187842.db2.gz	AZUSMIHGIDQWOU-UHFFFAOYSA-N	-1	0	264.301	0.304	20	30		CCEDRM
O=C(CCC(=O)C1=CC=C[CH]1)NC[C@@H]1CNC(=O)O1	ZINC001184246900	844189371	/nfs/dbraw/zinc/18/93/71/844189371.db2.gz	ATZMFSZDFAADRP-SNVBAGLBSA-N	-1	0	263.273	0.261	20	30		CCEDRM
COC(=O)[C@H]1C[C@@H]1CNC(=O)CCC(=O)C1=CC=C[CH]1	ZINC001184246334	844189375	/nfs/dbraw/zinc/18/93/75/844189375.db2.gz	QARQVHXGWDEJKC-NEPJUHHUSA-N	-1	0	276.312	0.961	20	30		CCEDRM
N#CCCCC(=O)[N-]S(=O)(=O)c1cnn(CC2CC2)c1	ZINC000813089442	838674953	/nfs/dbraw/zinc/67/49/53/838674953.db2.gz	SPNYGDALEAVELW-UHFFFAOYSA-N	-1	0	296.352	0.792	20	30		CCEDRM
C[C@H](CCC(=O)[O-])NC(=O)C1(C#N)CCOCC1	ZINC001116485044	855773272	/nfs/dbraw/zinc/77/32/72/855773272.db2.gz	POBVNRVMNFFVJU-SECBINFHSA-N	-1	0	254.286	0.676	20	30		CCEDRM
N#Cc1ccc(N2CC[C@H](c3cc(=O)[nH][nH]3)C2)nn1	ZINC001186905651	844619441	/nfs/dbraw/zinc/61/94/41/844619441.db2.gz	JXQHVJIXGUDGTR-QMMMGPOBSA-N	-1	0	256.269	0.771	20	30		CCEDRM
COc1cc(C#N)c(F)cc1NC(=O)Cc1nnn[n-]1	ZINC001176845679	842446675	/nfs/dbraw/zinc/44/66/75/842446675.db2.gz	XURNSXSONZUMNN-UHFFFAOYSA-N	-1	0	276.231	0.400	20	30		CCEDRM
C=C(C)C[C@@H](NC(C)=O)C(=O)N[C@@H](C)c1nn(C)cc1[O-]	ZINC001179926899	843081960	/nfs/dbraw/zinc/08/19/60/843081960.db2.gz	PKTNQNJZXAXTRO-GXSJLCMTSA-N	-1	0	294.355	0.774	20	30		CCEDRM
COC(=O)CCS(=O)(=O)[N-]c1snc(C)c1C#N	ZINC001188343810	844870139	/nfs/dbraw/zinc/87/01/39/844870139.db2.gz	ONHLPQZLEJMHAF-UHFFFAOYSA-N	-1	0	289.338	0.628	20	30		CCEDRM
N#Cc1cnc2ccnn2c1[N-]S(=O)(=O)CCCF	ZINC001189868554	845234612	/nfs/dbraw/zinc/23/46/12/845234612.db2.gz	PIVHNKNJLKMQQU-UHFFFAOYSA-N	-1	0	283.288	0.702	20	30		CCEDRM
COc1ncnc([N-]S(=O)(=O)CCCF)c1C#N	ZINC001189874580	845242877	/nfs/dbraw/zinc/24/28/77/845242877.db2.gz	QNISHRNHMFHZRJ-UHFFFAOYSA-N	-1	0	274.277	0.458	20	30		CCEDRM
N#Cc1ccc(CNS(=O)(=O)c2ncc[n-]2)o1	ZINC001190755123	845471143	/nfs/dbraw/zinc/47/11/43/845471143.db2.gz	LPJACKPQRJYFSX-UHFFFAOYSA-N	-1	0	252.255	0.353	20	30		CCEDRM
C=CCC1(S(=O)(=O)[N-]c2c(C(N)=O)cnn2C)CC1	ZINC001190765982	845492786	/nfs/dbraw/zinc/49/27/86/845492786.db2.gz	KGWFKVYAANVZHV-UHFFFAOYSA-N	-1	0	284.341	0.369	20	30		CCEDRM
COC(=O)c1ccc([O-])c(C(=O)N2CCNC[C@H]2C#N)c1	ZINC001192390332	845825135	/nfs/dbraw/zinc/82/51/35/845825135.db2.gz	VLUWYRQQZUALMO-SNVBAGLBSA-N	-1	0	289.291	0.116	20	30		CCEDRM
N#CCS(=O)(=O)[N-]c1ncnc2sccc21	ZINC001192935534	845942124	/nfs/dbraw/zinc/94/21/24/845942124.db2.gz	WQTHKQFVMSQMRE-UHFFFAOYSA-N	-1	0	254.296	0.957	20	30		CCEDRM
CCOC(=O)[C@@H](C#N)NC(=O)c1cc(F)c([O-])cc1F	ZINC001192876058	845919242	/nfs/dbraw/zinc/91/92/42/845919242.db2.gz	JGYZANAIUDOFQW-SECBINFHSA-N	-1	0	284.218	0.855	20	30		CCEDRM
N#CCS(=O)(=O)[N-]c1cnn2c1OCC1(CC1)C2	ZINC001192943005	845930552	/nfs/dbraw/zinc/93/05/52/845930552.db2.gz	GJRVBRGQTJHISZ-UHFFFAOYSA-N	-1	0	268.298	0.321	20	30		CCEDRM
N#CCS(=O)(=O)[N-]c1c2ccccc2oc1C(N)=O	ZINC001192938135	845941505	/nfs/dbraw/zinc/94/15/05/845941505.db2.gz	ABUWUSUAJUXYBI-UHFFFAOYSA-N	-1	0	279.277	0.797	20	30		CCEDRM
N#CCS(=O)(=O)[N-]c1ncc(C(F)(F)F)cn1	ZINC001192935293	845941532	/nfs/dbraw/zinc/94/15/32/845941532.db2.gz	OBBSQVYAUHGRQM-UHFFFAOYSA-N	-1	0	266.204	0.761	20	30		CCEDRM
Cc1nc2ccc([N-]S(=O)(=O)CC#N)cn2n1	ZINC001192938763	845942226	/nfs/dbraw/zinc/94/22/26/845942226.db2.gz	GNVMLBCBADXORM-UHFFFAOYSA-N	-1	0	251.271	0.303	20	30		CCEDRM
Cc1nc(Br)cnc1[N-]S(=O)(=O)CC#N	ZINC001192939680	845942974	/nfs/dbraw/zinc/94/29/74/845942974.db2.gz	VTKZSHIZWYFCFK-UHFFFAOYSA-N	-1	0	291.130	0.813	20	30		CCEDRM
N#CCS(=O)(=O)[N-]c1ccc(OC(F)F)nc1	ZINC001192939498	845943480	/nfs/dbraw/zinc/94/34/80/845943480.db2.gz	RNUATZOGZFJLEC-UHFFFAOYSA-N	-1	0	263.225	0.948	20	30		CCEDRM
N#CCS(=O)(=O)[N-]c1nc(Cl)c(Cl)nc1CO	ZINC001192939573	845943655	/nfs/dbraw/zinc/94/36/55/845943655.db2.gz	UBJGJMUTGCGHHK-UHFFFAOYSA-N	-1	0	297.123	0.541	20	30		CCEDRM
CN1c2cccc([N-]S(=O)(=O)CC#N)c2CNC1=O	ZINC001192985541	845945520	/nfs/dbraw/zinc/94/55/20/845945520.db2.gz	FYAWBANCAJCZOV-UHFFFAOYSA-N	-1	0	280.309	0.611	20	30		CCEDRM
CS(=O)(=O)c1ccc([N-]S(=O)(=O)CC#N)c(F)c1	ZINC001192972442	845958351	/nfs/dbraw/zinc/95/83/51/845958351.db2.gz	YWPIVPFNSZYBOT-UHFFFAOYSA-N	-1	0	292.313	0.494	20	30		CCEDRM
C[C@@H](C#N)S(=O)(=O)[N-]c1nccnc1N(C)C	ZINC001193104310	845979037	/nfs/dbraw/zinc/97/90/37/845979037.db2.gz	HKKYAOKEFQRCLD-ZETCQYMHSA-N	-1	0	255.303	0.196	20	30		CCEDRM
C[C@@H](C#N)S(=O)(=O)[N-]c1cnn2cccnc12	ZINC001193105218	845979323	/nfs/dbraw/zinc/97/93/23/845979323.db2.gz	SRCXZELCJCKZDN-ZETCQYMHSA-N	-1	0	251.271	0.383	20	30		CCEDRM
C[C@@H](C#N)S(=O)(=O)[N-]c1cc(F)ccc1C(N)=O	ZINC001193151920	846006163	/nfs/dbraw/zinc/00/61/63/846006163.db2.gz	WSJIYFAOGRRFGN-LURJTMIESA-N	-1	0	271.273	0.578	20	30		CCEDRM
C[C@@H](C#N)S(=O)(=O)[N-]c1cc(F)ccc1CO	ZINC001193150320	846006543	/nfs/dbraw/zinc/00/65/43/846006543.db2.gz	WNBJOPVUDXEYSJ-ZETCQYMHSA-N	-1	0	258.274	0.972	20	30		CCEDRM
C[C@@H](C#N)S(=O)(=O)[N-]c1cc(C(N)=O)ccc1F	ZINC001193151462	846006564	/nfs/dbraw/zinc/00/65/64/846006564.db2.gz	QRWSZEOBZIMXSK-LURJTMIESA-N	-1	0	271.273	0.578	20	30		CCEDRM
Cc1ccc([N-]S(=O)(=O)[C@@H](C)C#N)c(C(N)=O)c1	ZINC001193151158	846006672	/nfs/dbraw/zinc/00/66/72/846006672.db2.gz	NCOFRBNWYRCQKC-QMMMGPOBSA-N	-1	0	267.310	0.748	20	30		CCEDRM
C[C@@H](C#N)S(=O)(=O)[N-]c1cccc2c1NC(=O)CO2	ZINC001193151499	846007077	/nfs/dbraw/zinc/00/70/77/846007077.db2.gz	QXVDQVKVEAUWNV-ZETCQYMHSA-N	-1	0	281.293	0.671	20	30		CCEDRM
CNC(=O)c1ccc([N-]S(=O)(=O)[C@@H](C)C#N)c(F)c1	ZINC001193158993	846007990	/nfs/dbraw/zinc/00/79/90/846007990.db2.gz	YCLXIPTUEGMPNV-ZETCQYMHSA-N	-1	0	285.300	0.839	20	30		CCEDRM
C[C@@H](C#N)S(=O)(=O)[N-]c1cccc2c1N(C)C(=O)NC2	ZINC001193157817	846008740	/nfs/dbraw/zinc/00/87/40/846008740.db2.gz	IOCQRKGFVXDWRX-QMMMGPOBSA-N	-1	0	294.336	1.000	20	30		CCEDRM
C[C@H](C#N)S(=O)(=O)[N-]c1cccc2c1CCN(C)C2=O	ZINC001193161109	846009447	/nfs/dbraw/zinc/00/94/47/846009447.db2.gz	LNRJTUWHSHDAEW-SECBINFHSA-N	-1	0	293.348	0.968	20	30		CCEDRM
C[C@H](C#N)S(=O)(=O)[N-][C@@H]1Oc2ccc(CCO)cc2O1	ZINC001193192814	846013508	/nfs/dbraw/zinc/01/35/08/846013508.db2.gz	GDNXQKPVWQKFKM-PRHODGIISA-N	-1	0	298.320	0.108	20	30		CCEDRM
N#Cc1cc(C(=O)Nc2cnc(N)cn2)ccc1[O-]	ZINC001193499986	846082185	/nfs/dbraw/zinc/08/21/85/846082185.db2.gz	YGPBHYYOKGWUGI-UHFFFAOYSA-N	-1	0	255.237	0.888	20	30		CCEDRM
CN1C[C@H](NC(=O)c2ccc([O-])c(C#N)c2)CCC1=O	ZINC001193511625	846100941	/nfs/dbraw/zinc/10/09/41/846100941.db2.gz	DRPGUMWHGRBIPF-LLVKDONJSA-N	-1	0	273.292	0.614	20	30		CCEDRM
N#Cc1cc(C(=O)NCc2cccnn2)ccc1[O-]	ZINC001193511513	846101793	/nfs/dbraw/zinc/10/17/93/846101793.db2.gz	BNCQBXLSAUJUFS-UHFFFAOYSA-N	-1	0	254.249	0.984	20	30		CCEDRM
N#Cc1cc(C(=O)NC2CN(C3COC3)C2)ccc1[O-]	ZINC001193518735	846103322	/nfs/dbraw/zinc/10/33/22/846103322.db2.gz	FXHRXFGJBFLWPT-UHFFFAOYSA-N	-1	0	273.292	0.077	20	30		CCEDRM
Cn1ncc(C#N)c1[N-]S(=O)(=O)c1ccccc1N	ZINC001193893321	846176838	/nfs/dbraw/zinc/17/68/38/846176838.db2.gz	WVYQCALZZOGLNL-UHFFFAOYSA-N	-1	0	277.309	0.675	20	30		CCEDRM
C=CCN1CCN(C(=O)c2cc(=O)n(C)[n-]2)CC1	ZINC001194201453	846239685	/nfs/dbraw/zinc/23/96/85/846239685.db2.gz	ZXQLOGPZUZRDJN-UHFFFAOYSA-N	-1	0	250.302	0.070	20	30		CCEDRM
Cn1cnc([N-]S(=O)(=O)C2CCC(=O)CC2)c1C#N	ZINC001194764117	846391364	/nfs/dbraw/zinc/39/13/64/846391364.db2.gz	NXVKUVNVTMRQGL-UHFFFAOYSA-N	-1	0	282.325	0.545	20	30		CCEDRM
N#Cc1ccc(C(=O)Nc2nccnc2C(N)=O)c([O-])c1	ZINC001195733143	846604731	/nfs/dbraw/zinc/60/47/31/846604731.db2.gz	AMJLTLFPQROIMR-UHFFFAOYSA-N	-1	0	283.247	0.405	20	30		CCEDRM
Cc1[nH][nH]c(=O)c1CCNC(=O)c1ccc(C#N)cc1[O-]	ZINC001195765020	846613940	/nfs/dbraw/zinc/61/39/40/846613940.db2.gz	VVLFNQZGQSMAST-UHFFFAOYSA-N	-1	0	286.291	0.974	20	30		CCEDRM
CC(C)C[C@H](NC(=O)c1ccc(C#N)cc1[O-])C(=O)NO	ZINC001195768140	846616029	/nfs/dbraw/zinc/61/60/29/846616029.db2.gz	GMOBOMPMFVOTJU-NSHDSACASA-N	-1	0	291.307	0.914	20	30		CCEDRM
N#Cc1ccc(C(=O)N2CC[C@H](O)[C@H](CO)C2)c([O-])c1	ZINC001195740836	846619474	/nfs/dbraw/zinc/61/94/74/846619474.db2.gz	LUERJOLIEKUJPJ-JQWIXIFHSA-N	-1	0	276.292	0.079	20	30		CCEDRM
C[C@]1(CO)CN(C(=O)c2ccc(C#N)cc2[O-])CC[C@@H]1O	ZINC001195741112	846619824	/nfs/dbraw/zinc/61/98/24/846619824.db2.gz	OIVVCRLSYQQHJA-DZGCQCFKSA-N	-1	0	290.319	0.469	20	30		CCEDRM
CCOC(=O)CS(=O)(=O)[N-]C1=CC(=O)CC(C)(C)C1	ZINC001195993081	846672820	/nfs/dbraw/zinc/67/28/20/846672820.db2.gz	KJZJIPMGMLTWRC-UHFFFAOYSA-N	-1	0	289.353	0.742	20	30		CCEDRM
COC(=O)[C@H](CS)NC(=O)c1cc(Cl)ncc1[O-]	ZINC001196396733	846741991	/nfs/dbraw/zinc/74/19/91/846741991.db2.gz	OMDLXRDDBPCARD-LURJTMIESA-N	-1	0	290.728	0.642	20	30		CCEDRM
CC(C)(C#N)NS(=O)(=O)c1ccccc1C(=O)[O-]	ZINC001198792040	847171075	/nfs/dbraw/zinc/17/10/75/847171075.db2.gz	DPVIYXLHJJNJIK-UHFFFAOYSA-N	-1	0	268.294	0.965	20	30		CCEDRM
Cc1ccc(S(=O)(=O)[N-]c2cnn(C)n2)cc1C#N	ZINC001201295758	847760455	/nfs/dbraw/zinc/76/04/55/847760455.db2.gz	YUSPHOUELYLARB-UHFFFAOYSA-N	-1	0	277.309	0.796	20	30		CCEDRM
C=CCCCC(=O)N1CCC([NH2+]Cc2n[nH]c(=O)[n-]2)CC1	ZINC001202267230	847874414	/nfs/dbraw/zinc/87/44/14/847874414.db2.gz	YJFMIJDVFDOILH-UHFFFAOYSA-N	-1	0	293.371	0.947	20	30		CCEDRM
C#CC[C@H](CO)NC(=O)[C@@H]1CCC[C@@H](C(=O)[O-])C1	ZINC000717711762	848286407	/nfs/dbraw/zinc/28/64/07/848286407.db2.gz	UCCWDRWHFZRDKN-GMTAPVOTSA-N	-1	0	253.298	0.378	20	30		CCEDRM
C=C[C@@H](O)CNc1ccc(S(=O)(=O)[N-]C(C)=O)cc1	ZINC001253566172	848298120	/nfs/dbraw/zinc/29/81/20/848298120.db2.gz	WGNWFBDSOWXYCC-LLVKDONJSA-N	-1	0	284.337	0.470	20	30		CCEDRM
CN(CCC(=O)[O-])S(=O)(=O)c1cc(F)cc(C#N)c1	ZINC000718534507	849266629	/nfs/dbraw/zinc/26/66/29/849266629.db2.gz	UXDMFHLNPSPNKW-UHFFFAOYSA-N	-1	0	286.284	0.793	20	30		CCEDRM
C=CC(C)(C)C(=O)N[C@@H]1[C@H]2CN(Cc3n[nH]c(=O)[n-]3)C[C@H]21	ZINC001114683460	849362125	/nfs/dbraw/zinc/36/21/25/849362125.db2.gz	PQPHQXRYYWVDJJ-JZYVYDRUSA-N	-1	0	291.355	0.269	20	30		CCEDRM
C#CCN1CC(N(C)C(=O)c2ccc3oc(=O)nc-3[n-]2)C1	ZINC001044182797	851034321	/nfs/dbraw/zinc/03/43/21/851034321.db2.gz	ZGVSQRNENNLOQP-UHFFFAOYSA-N	-1	0	286.291	0.318	20	30		CCEDRM
Cc1n[nH]c(C(=O)N[C@@H]2C[C@H]3C[C@@H](C2)N(CC#N)C3)c1[O-]	ZINC001047054485	851663199	/nfs/dbraw/zinc/66/31/99/851663199.db2.gz	RBSSLHOEUDPWGB-AXFHLTTASA-N	-1	0	289.339	0.530	20	30		CCEDRM
C=CCS(=O)(=O)[N-]c1ccc(OC)cc1C(N)=O	ZINC001259930071	851682787	/nfs/dbraw/zinc/68/27/87/851682787.db2.gz	JOIBGXMUPKIKCN-UHFFFAOYSA-N	-1	0	270.310	0.722	20	30		CCEDRM
N#Cc1cccnc1NCC1CC(NC(=O)c2cn[nH]n2)C1	ZINC001067900849	853865131	/nfs/dbraw/zinc/86/51/31/853865131.db2.gz	FRYOPSGYWNUHKO-UHFFFAOYSA-N	-1	0	297.322	0.692	20	30		CCEDRM
C#CC[C@H](NC(=O)[C@@H]1COc2ccccc2C1)C(=O)[O-]	ZINC000149853580	854002971	/nfs/dbraw/zinc/00/29/71/854002971.db2.gz	ZIBKDEQOAHBCJV-RYUDHWBXSA-N	-1	0	273.288	0.830	20	30		CCEDRM
C#CC[C@H](NC(=O)[C@H]1COc2ccccc2C1)C(=O)[O-]	ZINC000149853245	854003120	/nfs/dbraw/zinc/00/31/20/854003120.db2.gz	ZIBKDEQOAHBCJV-NEPJUHHUSA-N	-1	0	273.288	0.830	20	30		CCEDRM
C=CCN(CC(=O)[O-])C(=O)N[C@@H]1COC(C)(C)C1	ZINC000396495775	854365009	/nfs/dbraw/zinc/36/50/09/854365009.db2.gz	NWRQVFOFLMGWSZ-VIFPVBQESA-N	-1	0	256.302	0.836	20	30		CCEDRM
C=CCCCC(=O)[N-]S(=O)(=O)c1ccc(C(N)=O)cc1	ZINC001116206843	855731551	/nfs/dbraw/zinc/73/15/51/855731551.db2.gz	JABKIMDVBHTZJL-UHFFFAOYSA-N	-1	0	296.348	0.947	20	30		CCEDRM
CC(N=Nc1ccc(C(=O)[O-])cn1)[C@H]1COCCO1	ZINC001116414720	855762332	/nfs/dbraw/zinc/76/23/32/855762332.db2.gz	XMGFTOICODAXOE-SNVBAGLBSA-N	-1	0	265.269	0.983	20	30		CCEDRM
Cc1nnc(N=NC2CCC[C@H](S(C)(=O)=O)C2)[n-]c1=O	ZINC001116854040	855848889	/nfs/dbraw/zinc/84/88/89/855848889.db2.gz	QFPXLVVDUMMEGE-VIFPVBQESA-N	-1	0	299.356	0.641	20	30		CCEDRM
N#CCCCCC(=O)N1CCC[C@@H](c2nnn[n-]2)C1	ZINC001118313959	856255365	/nfs/dbraw/zinc/25/53/65/856255365.db2.gz	XWYCUOUOUGCBKT-SNVBAGLBSA-N	-1	0	262.317	0.990	20	30		CCEDRM
C=CC[C@@H](NC(=O)[C@]1(C#N)CCCOC1)C(=O)[O-]	ZINC001119618451	856780712	/nfs/dbraw/zinc/78/07/12/856780712.db2.gz	KSLRXEPSYXBMOJ-SKDRFNHKSA-N	-1	0	252.270	0.452	20	30		CCEDRM
C=C(C)CCC(=O)N[C@@H](C)C1CN(Cc2n[nH]c(=O)[n-]2)C1	ZINC001282715638	891477548	/nfs/dbraw/zinc/47/75/48/891477548.db2.gz	BKAUFTVVOSJUHC-JTQLQIEISA-N	-1	0	293.371	0.803	20	30		CCEDRM
C=CC[C@@H](NC(=O)c1ccn(C)c(=O)c1)C(=O)[O-]	ZINC000150308860	894994552	/nfs/dbraw/zinc/99/45/52/894994552.db2.gz	FDVVUDQFZVRWDV-SECBINFHSA-N	-1	0	250.254	0.144	20	30		CCEDRM
C=C[C@H](C)O[N-]C(=O)C(=O)Nc1cnn(C)c1C(F)F	ZINC001326483159	913982908	/nfs/dbraw/zinc/98/29/08/913982908.db2.gz	CLWJCRVGYNDYEA-LURJTMIESA-N	-1	0	288.254	0.919	20	30		CCEDRM
CCOc1ccc(C(=O)N[C@H]2CCCN(O)C2=O)cn1	ZINC001326761997	914147369	/nfs/dbraw/zinc/14/73/69/914147369.db2.gz	AJAUDHSGWZDFCJ-JTQLQIEISA-N	-1	0	279.296	0.590	20	30		CCEDRM
C=CCO[N-]C(=O)c1cn(C)c2c(cnn2C)c1=O	ZINC001326783805	914167893	/nfs/dbraw/zinc/16/78/93/914167893.db2.gz	GBGRZWXXOFTBMO-UHFFFAOYSA-N	-1	0	262.269	0.119	20	30		CCEDRM
CCOC(=O)c1cnn(C)c1[N-]S(=O)(=O)[C@@H](C)C#N	ZINC001193106903	900031684	/nfs/dbraw/zinc/03/16/84/900031684.db2.gz	ZZGWJULKYRDXSV-ZETCQYMHSA-N	-1	0	286.313	0.251	20	30		CCEDRM
N#Cc1cn(CCC(=O)Nc2ccccn2)c(=O)[n-]c1=O	ZINC001411657839	901181674	/nfs/dbraw/zinc/18/16/74/901181674.db2.gz	ATVIXYBZMGYIML-UHFFFAOYSA-N	-1	0	285.263	0.244	20	30		CCEDRM
CSc1[n-]c(=O)c(C(=O)NCc2nc[nH]n2)cc1C#N	ZINC001411699953	901204265	/nfs/dbraw/zinc/20/42/65/901204265.db2.gz	YKCFDUCXZWEWCW-UHFFFAOYSA-N	-1	0	290.308	0.429	20	30		CCEDRM
C[C@H](CC#N)N(C)C(=O)c1cccc(-n2[n-]nnc2=N)c1	ZINC001411757403	901233810	/nfs/dbraw/zinc/23/38/10/901233810.db2.gz	CAEHWHZVZDAYQB-SECBINFHSA-N	-1	0	285.311	0.449	20	30		CCEDRM
C[C@@H](C(=O)Nc1nc(C#N)c(C#N)[n-]1)[C@@H]1CCC(=O)N1	ZINC001412291687	901624130	/nfs/dbraw/zinc/62/41/30/901624130.db2.gz	KUZLCIPAISXGLQ-RQJHMYQMSA-N	-1	0	272.268	0.006	20	30		CCEDRM
Cc1cc(C#N)c(=O)[n-]c1C(=O)N[C@@H](CO)[C@H]1CCOC1	ZINC001412792080	902128307	/nfs/dbraw/zinc/12/83/07/902128307.db2.gz	YXWVTYYUWKRQIH-ONGXEEELSA-N	-1	0	291.307	0.095	20	30		CCEDRM
COc1ccc(OC)c(Cn2c(=O)[n-]cc(C#N)c2=O)c1	ZINC001412919199	902355702	/nfs/dbraw/zinc/35/57/02/902355702.db2.gz	BGVVGAXFRAEETH-UHFFFAOYSA-N	-1	0	287.275	0.474	20	30		CCEDRM
C[C@H](C#N)CNC(=O)N1CCC[C@H](c2n[nH]c(=O)[n-]2)C1	ZINC001413809519	903682748	/nfs/dbraw/zinc/68/27/48/903682748.db2.gz	WPLMAANOLCQOBG-BDAKNGLRSA-N	-1	0	278.316	0.559	20	30		CCEDRM
COc1ccc(NC(=N[O-])c2nonc2N)c2c[nH]nc21	ZINC001215765157	903852333	/nfs/dbraw/zinc/85/23/33/903852333.db2.gz	QPCRXBCRMLXZPA-UHFFFAOYSA-N	-1	0	289.255	0.785	20	30		CCEDRM
C=CCOC[C@H](NCc1nc(C)c(C)[nH]1)C(=O)[O-]	ZINC001332422311	904110995	/nfs/dbraw/zinc/11/09/95/904110995.db2.gz	GBDWWANCYDVZPS-JTQLQIEISA-N	-1	0	253.302	0.772	20	30		CCEDRM
Cc1nn(C)c(C)c1C=Nn1c(=O)c(C)n[n-]c1=S	ZINC001337253267	921224851	/nfs/dbraw/zinc/22/48/51/921224851.db2.gz	QWWDXUPCTDSBDF-UHFFFAOYSA-N	-1	0	278.341	0.468	20	30		CCEDRM
C=C[C@@](C)(O)C(=O)Nc1ccc(OCc2nnn[n-]2)cc1	ZINC001293574000	906494592	/nfs/dbraw/zinc/49/45/92/906494592.db2.gz	AIKXEUPFUNCOIT-CYBMUJFWSA-N	-1	0	289.295	0.654	20	30		CCEDRM
CO[C@@H](CNc1[n-]c(=O)n(C)c(=O)c1C#N)C(C)C	ZINC001337795719	921293760	/nfs/dbraw/zinc/29/37/60/921293760.db2.gz	UXBAARSIRNKWNN-VIFPVBQESA-N	-1	0	266.301	0.028	20	30		CCEDRM
N#C[C@@H](CO)NC(=O)c1cccc(Br)c1[O-]	ZINC001297879539	907124740	/nfs/dbraw/zinc/12/47/40/907124740.db2.gz	BBRPKZAPOHIWCO-LURJTMIESA-N	-1	0	285.097	0.769	20	30		CCEDRM
C#CCSCC(=O)[N-]S(=O)(=O)N(C)C(C)C	ZINC001337995565	921334699	/nfs/dbraw/zinc/33/46/99/921334699.db2.gz	XBSFKNUIDHNPKB-UHFFFAOYSA-N	-1	0	264.372	0.054	20	30		CCEDRM
N#Cc1cc(C(=O)NCCCc2n[nH]c(=O)[n-]2)cs1	ZINC001306661895	908261343	/nfs/dbraw/zinc/26/13/43/908261343.db2.gz	WTTRFWKJOVMEIT-UHFFFAOYSA-N	-1	0	277.309	0.806	20	30		CCEDRM
N#Cc1cnccc1SCc1cc(=O)n2[n-]c(N)nc2n1	ZINC001307368476	908308804	/nfs/dbraw/zinc/30/88/04/908308804.db2.gz	KWEUENNTJOHHAO-UHFFFAOYSA-N	-1	0	299.319	0.559	20	30		CCEDRM
Cc1cc(=O)c(C(=O)Nc2nc(C#N)c(C#N)[n-]2)cn1C	ZINC001413838477	908434631	/nfs/dbraw/zinc/43/46/31/908434631.db2.gz	PCNMWQBARXMKNZ-UHFFFAOYSA-N	-1	0	282.263	0.412	20	30		CCEDRM
N#Cc1cccc(CC(=O)NCc2nc(=O)o[n-]2)c1	ZINC001341391679	908593129	/nfs/dbraw/zinc/59/31/29/908593129.db2.gz	VYBJCGVMZXPDCR-UHFFFAOYSA-N	-1	0	258.237	0.093	20	30		CCEDRM
CCn1cnnc1CNC(=O)c1[n-]c(=O)c(C#N)cc1C	ZINC001417612163	921453452	/nfs/dbraw/zinc/45/34/52/921453452.db2.gz	DTDFUCFOLNNZNW-UHFFFAOYSA-N	-1	0	286.295	0.509	20	30		CCEDRM
Cc1nccn1CCNC(=O)c1[n-]c(=O)c(C#N)cc1C	ZINC001417624514	921464043	/nfs/dbraw/zinc/46/40/43/921464043.db2.gz	FTVKHSMUKYMFJG-UHFFFAOYSA-N	-1	0	285.307	0.902	20	30		CCEDRM
N#Cc1ccccc1S(=O)(=O)[N-]C(=O)C1CC1	ZINC001317859877	909525909	/nfs/dbraw/zinc/52/59/09/909525909.db2.gz	WXXGFJOVXRHZHI-UHFFFAOYSA-N	-1	0	250.279	0.773	20	30		CCEDRM
C#CCCNC(=O)Cc1c(C)nc2cc[n-]n2c1=O	ZINC001318448777	909760560	/nfs/dbraw/zinc/76/05/60/909760560.db2.gz	LHAZNTHEINKUHB-UHFFFAOYSA-N	-1	0	258.281	0.013	20	30		CCEDRM
Cc1cc(C#N)cc(C)c1CC(=O)NCc1nc(=O)o[n-]1	ZINC001417688070	921534451	/nfs/dbraw/zinc/53/44/51/921534451.db2.gz	JVJZJRVEAXQAAF-UHFFFAOYSA-N	-1	0	286.291	0.710	20	30		CCEDRM
Cc1cc(C#N)c(=O)[n-]c1C(=O)NCCc1ccnn1C	ZINC001417706275	921558924	/nfs/dbraw/zinc/55/89/24/921558924.db2.gz	BDZNDKDHYRTICB-UHFFFAOYSA-N	-1	0	285.307	0.673	20	30		CCEDRM
CCc1cc(C(=O)[N-]S(=O)(=O)CCCC#N)nn1C	ZINC001320086819	910457065	/nfs/dbraw/zinc/45/70/65/910457065.db2.gz	QXTWBNNNASSQKH-UHFFFAOYSA-N	-1	0	284.341	0.346	20	30		CCEDRM
C#CCN(CC1CC1)C(=O)c1c[nH]c2nc(=O)[n-]c(=O)c-2c1	ZINC001320140077	910479718	/nfs/dbraw/zinc/47/97/18/910479718.db2.gz	MKTGLUHNQHNTLK-UHFFFAOYSA-N	-1	0	298.302	0.921	20	30		CCEDRM
C=CC[C@@H](NC(=O)CC1(CS(C)(=O)=O)CC1)C(=O)[O-]	ZINC001321167065	911135285	/nfs/dbraw/zinc/13/52/85/911135285.db2.gz	PLQUSFZNRYIEKD-SECBINFHSA-N	-1	0	289.353	0.347	20	30		CCEDRM
Cc1nnc([S-])n(N=CC2CCOCC2)c1=O	ZINC001322999351	912063586	/nfs/dbraw/zinc/06/35/86/912063586.db2.gz	QJLYEMCZZRVXFN-UHFFFAOYSA-N	-1	0	254.315	0.496	20	30		CCEDRM
C=CC[C@H](NC(=O)c1cncc(COC)c1)C(=O)[O-]	ZINC001328335979	915120514	/nfs/dbraw/zinc/12/05/14/915120514.db2.gz	BHZBPYYNVJTEML-NSHDSACASA-N	-1	0	264.281	0.987	20	30		CCEDRM
C=CC[C@H](NC(=O)[C@H](OCC)C1CCOCC1)C(=O)[O-]	ZINC001329288244	915795017	/nfs/dbraw/zinc/79/50/17/915795017.db2.gz	NSGJFJMFTUVFQW-NWDGAFQWSA-N	-1	0	285.340	0.964	20	30		CCEDRM
C=CCn1c(-c2cc(=O)[nH][n-]2)nnc1N1CCC[C@@H]1C	ZINC001339710424	921804617	/nfs/dbraw/zinc/80/46/17/921804617.db2.gz	QYDYHWSJYYBVFS-VIFPVBQESA-N	-1	0	274.328	0.677	20	30		CCEDRM
C=CC1(S(=O)(=O)[N-]C(=O)CCc2cn(C)nc2C)CC1	ZINC001329594348	916049484	/nfs/dbraw/zinc/04/94/84/916049484.db2.gz	XJHGLKCIZRPBRI-UHFFFAOYSA-N	-1	0	297.380	0.826	20	30		CCEDRM
N#CCCCS(=O)(=O)NCC1(C(=O)[O-])CCOCC1	ZINC001330049753	916381681	/nfs/dbraw/zinc/38/16/81/916381681.db2.gz	GQCMOUWPBXUQBW-UHFFFAOYSA-N	-1	0	290.341	0.091	20	30		CCEDRM
C[C@@H](CC#N)C(=O)[N-]S(=O)(=O)Cc1ccon1	ZINC001330510694	916673584	/nfs/dbraw/zinc/67/35/84/916673584.db2.gz	WFYNUZINZVMIQI-ZETCQYMHSA-N	-1	0	257.271	0.170	20	30		CCEDRM
C#CCONC(=O)Cc1c(C)nc(-c2ncccn2)[n-]c1=O	ZINC001331222905	917193481	/nfs/dbraw/zinc/19/34/81/917193481.db2.gz	QSQIPICWXVGEHE-UHFFFAOYSA-N	-1	0	299.290	0.171	20	30		CCEDRM
C=CC(C)(C)CC(=O)[N-]S(=O)(=O)CC(=O)OC	ZINC001331451338	917343177	/nfs/dbraw/zinc/34/31/77/917343177.db2.gz	JAMHRMCPTRCIPH-UHFFFAOYSA-N	-1	0	263.315	0.208	20	30		CCEDRM
C#C[C@@H](CC)[N-]S(=O)(=O)c1cc(C(=O)OC)no1	ZINC001331555283	917414341	/nfs/dbraw/zinc/41/43/41/917414341.db2.gz	ONIJCQSIKSRDDQ-ZETCQYMHSA-N	-1	0	272.282	0.151	20	30		CCEDRM
C=CCCS(=O)(=O)[N-][C@@H](CCO)C(F)(F)F	ZINC001331688474	917512403	/nfs/dbraw/zinc/51/24/03/917512403.db2.gz	IPKFBEUKCCQRAK-ZETCQYMHSA-N	-1	0	261.265	0.795	20	30		CCEDRM
C=CC[C@@H](NC(=O)c1cn2c(n1)COCC2)C(=O)[O-]	ZINC001332135522	917891652	/nfs/dbraw/zinc/89/16/52/917891652.db2.gz	JIBCHIQFJDWJMR-MRVPVSSYSA-N	-1	0	265.269	0.172	20	30		CCEDRM
C=CC[C@H](NC(=O)/C=C(/C)CN1CCOCC1)C(=O)[O-]	ZINC001332135881	917896978	/nfs/dbraw/zinc/89/69/78/917896978.db2.gz	MOBRTMUGIBQHPK-MMRAYRKESA-N	-1	0	282.340	0.410	20	30		CCEDRM
C#CCCN1CCN(C(=O)c2ccc(C(=O)[O-])o2)CC1	ZINC001332177697	917939085	/nfs/dbraw/zinc/93/90/85/917939085.db2.gz	GTAQDTYFTNLLKJ-UHFFFAOYSA-N	-1	0	276.292	0.759	20	30		CCEDRM
C=C(C)CS(=O)(=O)[N-][C@H](CCO)C(F)(F)F	ZINC001332360533	918084906	/nfs/dbraw/zinc/08/49/06/918084906.db2.gz	NLBYCFAHXDEUSN-SSDOTTSWSA-N	-1	0	261.265	0.795	20	30		CCEDRM
C=CCOC[C@H](NCc1nn(CC)nc1C)C(=O)[O-]	ZINC001332423618	918145903	/nfs/dbraw/zinc/14/59/03/918145903.db2.gz	QVLCAJKIOVJGPF-NSHDSACASA-N	-1	0	268.317	0.352	20	30		CCEDRM
C#CCSCC(=O)[N-]S(=O)(=O)N(CC)CC	ZINC001332558773	918274366	/nfs/dbraw/zinc/27/43/66/918274366.db2.gz	ZWFDUFVEAHXEAB-UHFFFAOYSA-N	-1	0	264.372	0.056	20	30		CCEDRM
C=CCC[C@H](NC(=O)c1cnn(C)c1OC)C(=O)[O-]	ZINC001332620627	918322870	/nfs/dbraw/zinc/32/28/70/918322870.db2.gz	CZMDNCWKJNKKOT-VIFPVBQESA-N	-1	0	267.285	0.578	20	30		CCEDRM
C=C[C@@H](C)O[N-]C(=O)C(=O)Nc1nc2n(n1)CCCC2	ZINC001332628218	918330263	/nfs/dbraw/zinc/33/02/63/918330263.db2.gz	OUXAMXSTMPDNLD-MRVPVSSYSA-N	-1	0	279.300	0.175	20	30		CCEDRM
C=CC[C@H](NC(=O)Cc1cnn(CC)c1)C(=O)[O-]	ZINC001333332061	918807456	/nfs/dbraw/zinc/80/74/56/918807456.db2.gz	NRKPHHZJGSROJW-JTQLQIEISA-N	-1	0	251.286	0.591	20	30		CCEDRM
CC#CCS(=O)(=O)[N-]C(=O)c1ccn(CC(C)C)n1	ZINC001333647753	919070982	/nfs/dbraw/zinc/07/09/82/919070982.db2.gz	JEPDKDSYBXUSOC-UHFFFAOYSA-N	-1	0	283.353	0.622	20	30		CCEDRM
C=CCC1(O)CCN(C(=O)c2c[n-]ncc2=O)CC1	ZINC001336053214	920584384	/nfs/dbraw/zinc/58/43/84/920584384.db2.gz	NIOZSWNVXSVALA-UHFFFAOYSA-N	-1	0	263.297	0.725	20	30		CCEDRM
Cn1c(=O)[n-]c(N[C@H]2CCC[C@H](F)C2)c(C#N)c1=O	ZINC001336659853	920908392	/nfs/dbraw/zinc/90/83/92/920908392.db2.gz	FTXNZUMJOAFEJQ-YUMQZZPRSA-N	-1	0	266.276	0.638	20	30		CCEDRM
C=CC[C@@H](NC(=O)[C@H]1CCCN1C(=O)CCC)C(=O)[O-]	ZINC001339864649	921858937	/nfs/dbraw/zinc/85/89/37/921858937.db2.gz	CYWVNNPTJHRVFU-GHMZBOCLSA-N	-1	0	282.340	0.923	20	30		CCEDRM
C[C@@H](NC(=O)Cn1cc(C#N)c(=O)[n-]c1=O)C(C)(C)C	ZINC001418370212	922058854	/nfs/dbraw/zinc/05/88/54/922058854.db2.gz	YXTWLBASXOHJOU-MRVPVSSYSA-N	-1	0	278.312	0.371	20	30		CCEDRM
C=C[C@H](CO)NC(=O)N[C@H](C)[C@@H]1C[C@H](C(=O)[O-])C1(C)C	ZINC001340567185	922125066	/nfs/dbraw/zinc/12/50/66/922125066.db2.gz	QVPYPYRAKSEXQK-CHWFTXMASA-N	-1	0	284.356	0.968	20	30		CCEDRM
CNC(=O)C(C#N)=C([O-])c1ccnc(-n2ccnc2)c1	ZINC001342596229	923015194	/nfs/dbraw/zinc/01/51/94/923015194.db2.gz	YPIHMRTXVFWSRZ-JTQLQIEISA-N	-1	0	269.264	0.336	20	30		CCEDRM
CO[C@@H]1CCCN(NC(=O)c2[n-]c(=O)c(C#N)cc2C)C1	ZINC001419806229	923106615	/nfs/dbraw/zinc/10/66/15/923106615.db2.gz	LKUSUUJVTJOBQO-LLVKDONJSA-N	-1	0	290.323	0.723	20	30		CCEDRM
COCCNC(=O)C(C#N)=C([O-])c1ccc(Cl)nc1	ZINC001343376960	923290666	/nfs/dbraw/zinc/29/06/66/923290666.db2.gz	IPGBDFSMYJUNBB-VIFPVBQESA-N	-1	0	281.699	0.820	20	30		CCEDRM
CCO[N-]C(=O)C(=O)Nc1cc(C)nn1CCC#N	ZINC001343374917	923291166	/nfs/dbraw/zinc/29/11/66/923291166.db2.gz	DJMBFTPXZVITIW-UHFFFAOYSA-N	-1	0	265.273	0.111	20	30		CCEDRM
COCCNC(=O)C(C#N)=C([O-])c1cc(C)n(C(C)C)n1	ZINC001343583347	923379731	/nfs/dbraw/zinc/37/97/31/923379731.db2.gz	QCSZCRBOONGGCI-LLVKDONJSA-N	-1	0	292.339	0.858	20	30		CCEDRM
CNC(=O)C(C#N)=C([O-])c1cnc(C(C)=O)s1	ZINC001343623427	923392274	/nfs/dbraw/zinc/39/22/74/923392274.db2.gz	PRARQBYOHUIEAH-LURJTMIESA-N	-1	0	251.267	0.414	20	30		CCEDRM
C[C@@H](C(=O)C(C#N)=C([O-])c1nccn1C)n1cnc(C#N)n1	ZINC001344037116	923536202	/nfs/dbraw/zinc/53/62/02/923536202.db2.gz	UHGJDSQHUATSIN-DTWKUNHWSA-N	-1	0	297.278	0.036	20	30		CCEDRM
COc1cncc(C([O-])=C(C#N)c2ccncn2)n1	ZINC001344623500	923654590	/nfs/dbraw/zinc/65/45/90/923654590.db2.gz	ZXXWOHVMXUSSBR-MRVPVSSYSA-N	-1	0	255.237	0.765	20	30		CCEDRM
Cn1ccnc1C([O-])=C(C#N)C(=O)[C@H]1[C@@H]2C(=O)CC[C@H]12	ZINC001345062746	923780310	/nfs/dbraw/zinc/78/03/10/923780310.db2.gz	VDUVQVSNFFWADH-GISOBZBCSA-N	-1	0	271.276	0.537	20	30		CCEDRM
CN(Cc1n[n-]c(=O)o1)C(=O)c1ccccc1OCC#N	ZINC001420975729	924068026	/nfs/dbraw/zinc/06/80/26/924068026.db2.gz	NYDCRXCGVHSOFU-UHFFFAOYSA-N	-1	0	288.263	0.950	20	30		CCEDRM
C#CC[C@@H](NC(=O)[C@H]1Cc2cccnc2C1)C(=O)[O-]	ZINC001346312380	924154731	/nfs/dbraw/zinc/15/47/31/924154731.db2.gz	OTMKOWBTZMXKJG-WDEREUQCSA-N	-1	0	258.277	0.389	20	30		CCEDRM
C#C[C@H](C)N(C)c1nnc(-c2cc(=O)[nH][n-]2)n1CC(=C)C	ZINC001346514792	924246053	/nfs/dbraw/zinc/24/60/53/924246053.db2.gz	IFPMMFJTTYXYKX-JTQLQIEISA-N	-1	0	286.339	0.536	20	30		CCEDRM
CC[C@H](Nc1[n-]c(=O)n(C)c(=O)c1C#N)c1ccccn1	ZINC001421269666	924250922	/nfs/dbraw/zinc/25/09/22/924250922.db2.gz	XAERLHKSRPCXKC-JTQLQIEISA-N	-1	0	285.307	0.903	20	30		CCEDRM
Cn1ccnc1C(=O)C(C#N)=C([O-])c1ccc(C#N)nc1	ZINC001347123413	924376672	/nfs/dbraw/zinc/37/66/72/924376672.db2.gz	LBPLESWMNNGHDJ-NSHDSACASA-N	-1	0	279.259	0.892	20	30		CCEDRM
N#Cc1ccc(CNC(=O)c2c[n-]n3c2nccc3=O)nc1	ZINC001347504759	924464062	/nfs/dbraw/zinc/46/40/62/924464062.db2.gz	LXECAOGVUDSASY-UHFFFAOYSA-N	-1	0	294.274	0.219	20	30		CCEDRM
C#CCCCCC(=O)N[C@H](C(=O)[O-])[C@H](O)c1ccncc1	ZINC001347561274	924480531	/nfs/dbraw/zinc/48/05/31/924480531.db2.gz	HLPYGBLLYPUEIR-UONOGXRCSA-N	-1	0	290.319	0.878	20	30		CCEDRM
N#C[C@]1(C(=O)NC2CC(CC(=O)[O-])C2)CCCOC1	ZINC001350903194	925308632	/nfs/dbraw/zinc/30/86/32/925308632.db2.gz	MQUYBNMJKQWPFY-SRHKJQAYSA-N	-1	0	266.297	0.676	20	30		CCEDRM
C=CCn1c(-c2cc(=O)[nH][n-]2)nnc1N1CCC(F)(F)C1	ZINC001351850842	925485101	/nfs/dbraw/zinc/48/51/01/925485101.db2.gz	BSJQMYJUSVZADH-UHFFFAOYSA-N	-1	0	296.281	0.534	20	30		CCEDRM
C=C(C)C[C@H](CO)NC(=O)N[C@H]1C[C@@H](C(=O)[O-])C1	ZINC001353126416	925736176	/nfs/dbraw/zinc/73/61/76/925736176.db2.gz	IPIWBQMJGAGWNA-KXUCPTDWSA-N	-1	0	256.302	0.476	20	30		CCEDRM
C/C(Cl)=C/C(=O)N1CC(n2cc(C#N)c(=O)[n-]c2=O)C1	ZINC001353949541	925972410	/nfs/dbraw/zinc/97/24/10/925972410.db2.gz	HHYBUDIOPCMHAA-UQCOIBPSSA-N	-1	0	294.698	0.346	20	30		CCEDRM
C=CCC[C@@H](NC(=O)[C@H](C)N1CCN(C)CC1)C(=O)[O-]	ZINC001354046574	925996627	/nfs/dbraw/zinc/99/66/27/925996627.db2.gz	FGQZYSHFVIHHGB-NWDGAFQWSA-N	-1	0	283.372	0.158	20	30		CCEDRM
C#CCC1(NC(=O)CSc2n[nH]c(=O)[n-]2)CCOCC1	ZINC001354228367	926049684	/nfs/dbraw/zinc/04/96/84/926049684.db2.gz	ICPIAVBUNVHWQR-UHFFFAOYSA-N	-1	0	296.352	0.291	20	30		CCEDRM
C=C[C@H](COC)NS(=O)(=O)c1cc(C(=O)[O-])cs1	ZINC001356155859	926349042	/nfs/dbraw/zinc/34/90/42/926349042.db2.gz	ZDZYRNMFFRXECF-MRVPVSSYSA-N	-1	0	291.350	0.926	20	30		CCEDRM
C=CCN(C)c1nnc(Cc2nn[nH]n2)n1CC(=C)C	ZINC001356229209	926357499	/nfs/dbraw/zinc/35/74/99/926357499.db2.gz	XVPBSVGNYJVZQJ-UHFFFAOYSA-N	-1	0	274.332	0.580	20	30		CCEDRM
CCn1nc(C)c(Nc2[n-]c(=O)n(C)c(=O)c2C#N)c1C	ZINC001413878080	926608336	/nfs/dbraw/zinc/60/83/36/926608336.db2.gz	HFZVQMJLACQCKX-UHFFFAOYSA-N	-1	0	288.311	0.522	20	30		CCEDRM
C=CC[C@@H](NC(=O)c1ccc(CNC(N)=O)cc1)C(=O)[O-]	ZINC000150131820	926946718	/nfs/dbraw/zinc/94/67/18/926946718.db2.gz	YKXHNWXMLRAXFF-LLVKDONJSA-N	-1	0	291.307	0.614	20	30		CCEDRM
C=CC[C@H](NC(=O)c1ccc2c(c1)OCC(=O)N2)C(=O)[O-]	ZINC000150185324	926947579	/nfs/dbraw/zinc/94/75/79/926947579.db2.gz	UYNRHNXIUQXKOE-JTQLQIEISA-N	-1	0	290.275	0.777	20	30		CCEDRM
C=CC[C@H](NC(=O)c1ccc(N(C)C)nc1)C(=O)[O-]	ZINC000150236678	926947704	/nfs/dbraw/zinc/94/77/04/926947704.db2.gz	XWHOULOEHIYEDV-JTQLQIEISA-N	-1	0	263.297	0.907	20	30		CCEDRM
C[C@H](NC(=O)Cn1cc(C#N)c(=O)[n-]c1=O)c1ccccc1	ZINC001361596335	927180002	/nfs/dbraw/zinc/18/00/02/927180002.db2.gz	MJSFNUAZYCBJMG-JTQLQIEISA-N	-1	0	298.302	0.698	20	30		CCEDRM
CCNC(=O)[C@@H](C)NC(=O)c1[n-]c(=O)c(C#N)cc1C	ZINC001362049847	927555172	/nfs/dbraw/zinc/55/51/72/927555172.db2.gz	PJEXCNOJQSXCJU-MRVPVSSYSA-N	-1	0	276.296	0.222	20	30		CCEDRM
CCC1(NC(=O)Cn2cc(C#N)c(=O)[n-]c2=O)CCC1	ZINC001362201211	927724655	/nfs/dbraw/zinc/72/46/55/927724655.db2.gz	BVIRYJCVNYYOBC-UHFFFAOYSA-N	-1	0	276.296	0.269	20	30		CCEDRM
CC(C)C[C@H](C)NC(=O)CCn1cc(C#N)c(=O)[n-]c1=O	ZINC001362315512	927866549	/nfs/dbraw/zinc/86/65/49/927866549.db2.gz	XYRBXFUYZHMWCS-JTQLQIEISA-N	-1	0	292.339	0.761	20	30		CCEDRM
CC(C)(NC(=O)Cn1cc(C#N)c(=O)[n-]c1=O)C1CCC1	ZINC001362464309	928050861	/nfs/dbraw/zinc/05/08/61/928050861.db2.gz	ULMHJMSKUDAHTP-UHFFFAOYSA-N	-1	0	290.323	0.515	20	30		CCEDRM
CS[C@H](C)CNC(=O)CCn1cc(C#N)c(=O)[n-]c1=O	ZINC001362545737	928159343	/nfs/dbraw/zinc/15/93/43/928159343.db2.gz	WOCYIYNEMUYMPL-MRVPVSSYSA-N	-1	0	296.352	0.078	20	30		CCEDRM
C[C@@H](F)CCNC(=O)CCn1cc(C#N)c(=O)[n-]c1=O	ZINC001362656442	928313163	/nfs/dbraw/zinc/31/31/63/928313163.db2.gz	GMNWWCRMUVLDPS-MRVPVSSYSA-N	-1	0	282.275	0.075	20	30		CCEDRM
C[C@H](F)CCNC(=O)CCn1cc(C#N)c(=O)[n-]c1=O	ZINC001362656444	928315579	/nfs/dbraw/zinc/31/55/79/928315579.db2.gz	GMNWWCRMUVLDPS-QMMMGPOBSA-N	-1	0	282.275	0.075	20	30		CCEDRM
N#Cc1c[n-]c(=O)n(CCOc2ccccc2F)c1=O	ZINC001363186508	928956080	/nfs/dbraw/zinc/95/60/80/928956080.db2.gz	SUGMTDPSAVOQAY-UHFFFAOYSA-N	-1	0	275.239	0.626	20	30		CCEDRM
N#CCc1cccc(NC(=O)CCCc2nnn[n-]2)n1	ZINC001363524322	929327508	/nfs/dbraw/zinc/32/75/08/929327508.db2.gz	BTKMGKXLSSVDCV-UHFFFAOYSA-N	-1	0	271.284	0.622	20	30		CCEDRM
Cn1nccc1[C@@H](NC(=O)c1ccc(C#N)o1)C(=O)[O-]	ZINC001601034250	970916453	/nfs/dbraw/zinc/91/64/53/970916453.db2.gz	NIZGLAJXZKJJCS-SNVBAGLBSA-N	-1	0	274.236	0.440	20	30		CCEDRM
C#C[C@H](NC(=O)N[C@H]1CCC[C@H]1C(=O)[O-])C1CCOCC1	ZINC001602671643	971234172	/nfs/dbraw/zinc/23/41/72/971234172.db2.gz	DVMDGWCHPCDHNT-AGIUHOORSA-N	-1	0	294.351	0.967	20	30		CCEDRM
C#CC1(O)CCN(C(=O)C(CC)(CC)C(=O)[O-])CC1	ZINC001602673256	971238821	/nfs/dbraw/zinc/23/88/21/971238821.db2.gz	SOAXFVXZMIIJBI-UHFFFAOYSA-N	-1	0	267.325	0.864	20	30		CCEDRM
C#CCC1(NC(=O)c2cn(CC(=O)[O-])nn2)CCCCC1	ZINC001602674725	971242335	/nfs/dbraw/zinc/24/23/35/971242335.db2.gz	BOSYBQMFMNTEJC-UHFFFAOYSA-N	-1	0	290.323	0.819	20	30		CCEDRM
C#CCC[C@@H](O)CNC(=O)c1ccc(OCC(=O)[O-])cc1	ZINC001602674748	971242733	/nfs/dbraw/zinc/24/27/33/971242733.db2.gz	CHEPYZBNJCOWTJ-GFCCVEGCSA-N	-1	0	291.303	0.654	20	30		CCEDRM
C#CC[C@@H](NC(=O)[C@@]1(C(=O)[O-])CC1(C)C)C(=O)OC	ZINC001602675107	971245955	/nfs/dbraw/zinc/24/59/55/971245955.db2.gz	KWFFPQGECIHYNI-AMIZOPFISA-N	-1	0	267.281	0.168	20	30		CCEDRM
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C=C[C@H](CO)NC(=O)Nc1cccnc1C(=O)[O-]	ZINC001602731155	971412519	/nfs/dbraw/zinc/41/25/19/971412519.db2.gz	VDHOEGFPJKPQMV-SSDOTTSWSA-N	-1	0	251.242	0.448	20	30		CCEDRM
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CC(C)CN(CCC#N)C(=O)c1cn(CC(=O)[O-])nn1	ZINC000090719181	949131477	/nfs/dbraw/zinc/13/14/77/949131477.db2.gz	NLRARRFLQMKLSU-UHFFFAOYSA-N	-1	0	279.300	0.375	20	30		CCEDRM
CCCCOCCNC(=O)[C@@](C)(C#N)CC(=O)[O-]	ZINC001589652822	949790504	/nfs/dbraw/zinc/79/05/04/949790504.db2.gz	MKBDXLUJEPEFMP-GFCCVEGCSA-N	-1	0	256.302	0.924	20	30		CCEDRM
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CCN(C(=O)C(=O)Nc1cccc(C#N)n1)[C@@H](C)C(=O)[O-]	ZINC001589697412	950182776	/nfs/dbraw/zinc/18/27/76/950182776.db2.gz	SIUOZUZKECZCSG-QMMMGPOBSA-N	-1	0	290.279	0.213	20	30		CCEDRM
CC(C)(C#N)CC(=O)NCCOCCOCC(=O)[O-]	ZINC001602830361	971651394	/nfs/dbraw/zinc/65/13/94/971651394.db2.gz	NRYZCFXTIQAAKC-UHFFFAOYSA-N	-1	0	272.301	0.160	20	30		CCEDRM
CCN(CC#N)C(=O)C1(CC(=O)[O-])CCOCC1	ZINC001589718780	950383846	/nfs/dbraw/zinc/38/38/46/950383846.db2.gz	CODKPRKZGJOOLY-UHFFFAOYSA-N	-1	0	254.286	0.630	20	30		CCEDRM
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C=C1CCN(C(=O)NCCn2cc(C(=O)[O-])nn2)CC1	ZINC000382583614	971825173	/nfs/dbraw/zinc/82/51/73/971825173.db2.gz	PHFNXRMQZIWOOF-UHFFFAOYSA-N	-1	0	279.300	0.338	20	30		CCEDRM
CC(C)(CCC#N)CNC(=O)N1CCO[C@H](C(=O)[O-])C1	ZINC001602933979	971900756	/nfs/dbraw/zinc/90/07/56/971900756.db2.gz	PIHWEPOPENHKSX-JTQLQIEISA-N	-1	0	283.328	0.811	20	30		CCEDRM
CC[C@H](NC(=O)C(=O)Nc1ccc(F)c(C#N)c1)C(=O)[O-]	ZINC001593614661	953493285	/nfs/dbraw/zinc/49/32/85/953493285.db2.gz	DCFQHEIKYFBPFW-JTQLQIEISA-N	-1	0	293.254	0.615	20	30		CCEDRM
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COCCN(CC(=O)[O-])c1cc(C#N)nc(C2CC2)n1	ZINC001594000200	956922818	/nfs/dbraw/zinc/92/28/18/956922818.db2.gz	GJUZLXJKMNTPGL-UHFFFAOYSA-N	-1	0	276.296	0.763	20	30		CCEDRM
COCCOCCN(C)C(=O)[C@@](C)(C#N)CC(=O)[O-]	ZINC001594017743	957047524	/nfs/dbraw/zinc/04/75/24/957047524.db2.gz	YRIFORLMSTUGKF-GFCCVEGCSA-N	-1	0	272.301	0.112	20	30		CCEDRM
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N#Cc1c(F)cccc1S(=O)(=O)N[C@H](C(=O)[O-])C1CC1	ZINC000070394005	957671465	/nfs/dbraw/zinc/67/14/65/957671465.db2.gz	LRSGVVBOLNOMJK-NSHDSACASA-N	-1	0	298.295	0.839	20	30		CCEDRM
C[C@@H](Oc1ccc(C#N)cc1)C(=O)N1CC(C(=O)[O-])C1	ZINC000071172657	957702914	/nfs/dbraw/zinc/70/29/14/957702914.db2.gz	BGFMRUOPMXEUGA-SECBINFHSA-N	-1	0	274.276	0.869	20	30		CCEDRM
COCCN(CCC#N)C(=O)C[C@H](C)CC(=O)[O-]	ZINC000071227246	957709776	/nfs/dbraw/zinc/70/97/76/957709776.db2.gz	QNULNSISACXEBC-JTQLQIEISA-N	-1	0	256.302	0.876	20	30		CCEDRM
C=C(C)[C@@H]1OCC[C@H]1CNC(=O)COCC(=O)[O-]	ZINC001332187865	957752127	/nfs/dbraw/zinc/75/21/27/957752127.db2.gz	SQRGRLLLGUVYOK-CABZTGNLSA-N	-1	0	257.286	0.185	20	30		CCEDRM
C#CCC(C)(C)C(=O)N(CCC(=O)OC)CC(=O)[O-]	ZINC001588388441	957994930	/nfs/dbraw/zinc/99/49/30/957994930.db2.gz	AGZVLNLONPOUOJ-UHFFFAOYSA-N	-1	0	269.297	0.512	20	30		CCEDRM
C#CCC(C)(C)C(=O)N1CCO[C@](COC)(C(=O)[O-])C1	ZINC001588388801	958001860	/nfs/dbraw/zinc/00/18/60/958001860.db2.gz	GQVWZWSQXOIAIL-CQSZACIVSA-N	-1	0	283.324	0.365	20	30		CCEDRM
C#CC[C@H]1CCN(C(=O)NCCOCC(=O)[O-])C1	ZINC001588391471	958023985	/nfs/dbraw/zinc/02/39/85/958023985.db2.gz	HSQUSCGQNIUOLC-JTQLQIEISA-N	-1	0	254.286	0.142	20	30		CCEDRM
C#CCC1(O)CCN(C(=O)[C@]2(C(=O)[O-])C[C@H]2C)CC1	ZINC001588391719	958027598	/nfs/dbraw/zinc/02/75/98/958027598.db2.gz	MOEKSMAJSHCALS-YGRLFVJLSA-N	-1	0	265.309	0.474	20	30		CCEDRM
C#CCN(C(=O)c1cc(C(=O)[O-])nn1C)C(C)(C)C	ZINC001588395726	958042900	/nfs/dbraw/zinc/04/29/00/958042900.db2.gz	LWKGCMLWLVESEP-UHFFFAOYSA-N	-1	0	263.297	0.992	20	30		CCEDRM
C#CCN(C(=O)c1cc(C(=O)[O-])n[nH]1)C1CSC1	ZINC001588396014	958044635	/nfs/dbraw/zinc/04/46/35/958044635.db2.gz	NPAXIQILTRQMOD-UHFFFAOYSA-N	-1	0	265.294	0.299	20	30		CCEDRM
C#CCN(CC(=O)[O-])C(=O)[C@@H](c1ccccc1)N(C)C	ZINC001588397352	958056526	/nfs/dbraw/zinc/05/65/26/958056526.db2.gz	FVRHNHKAJKJOKS-CQSZACIVSA-N	-1	0	274.320	0.836	20	30		CCEDRM
C#CCN(CC(=O)[O-])C(=O)[C@@H](C)NC(=O)CC(C)(C)C	ZINC001588397607	958060007	/nfs/dbraw/zinc/06/00/07/958060007.db2.gz	NJXULZKGQFEYAS-SNVBAGLBSA-N	-1	0	282.340	0.474	20	30		CCEDRM
C#CCN(CC(=O)[O-])C(=O)[C@@]1(OC)CCSC1	ZINC001588400435	958082048	/nfs/dbraw/zinc/08/20/48/958082048.db2.gz	XRGZFHUSCWNWQJ-LLVKDONJSA-N	-1	0	257.311	0.055	20	30		CCEDRM
N#Cc1cccc(NC(=O)Cn2cc(C(=O)[O-])nn2)c1	ZINC000090715522	958113258	/nfs/dbraw/zinc/11/32/58/958113258.db2.gz	UNSVJBXDTXJPRM-UHFFFAOYSA-N	-1	0	271.236	0.487	20	30		CCEDRM
C#CCN(CC(=O)[O-])C(=O)NCc1ccn(CC)n1	ZINC001588408779	958118343	/nfs/dbraw/zinc/11/83/43/958118343.db2.gz	DRSCRRFDBHZXLZ-UHFFFAOYSA-N	-1	0	264.285	0.132	20	30		CCEDRM
C#CCN(CC(=O)[O-])C(=O)NC1CCC2(CC1)OCCO2	ZINC001588409913	958132758	/nfs/dbraw/zinc/13/27/58/958132758.db2.gz	MGYWDEGQFBVCRY-UHFFFAOYSA-N	-1	0	296.323	0.402	20	30		CCEDRM
C#CCN(CC(=O)[O-])C(=O)N[C@H]1CCO[C@H](CC)C1	ZINC001588409933	958133920	/nfs/dbraw/zinc/13/39/20/958133920.db2.gz	MNEIWQFSBDGTQF-WDEREUQCSA-N	-1	0	268.313	0.673	20	30		CCEDRM
COc1cc(OC(=O)[C@H](OC)C(=O)[O-])ccc1C#N	ZINC001594066755	958140067	/nfs/dbraw/zinc/14/00/67/958140067.db2.gz	WSOLHUQGAHLHNQ-SNVBAGLBSA-N	-1	0	265.221	0.572	20	30		CCEDRM
C#CCN(CC(=O)[O-])C(=O)Nc1ccc2nc(C)nn2c1	ZINC001588412316	958150816	/nfs/dbraw/zinc/15/08/16/958150816.db2.gz	AYESDMDOUZXHOW-UHFFFAOYSA-N	-1	0	287.279	0.589	20	30		CCEDRM
C#CCN(CC(=O)[O-])C(=O)c1cc(OC)ccc1[N+](=O)[O-]	ZINC001588416624	958164628	/nfs/dbraw/zinc/16/46/28/958164628.db2.gz	QTPJUULFALRFQN-UHFFFAOYSA-N	-1	0	292.247	0.763	20	30		CCEDRM
C#CCN(CC(=O)[O-])C(=O)c1[nH]cnc1C(C)(C)C	ZINC001588417436	958173047	/nfs/dbraw/zinc/17/30/47/958173047.db2.gz	OHGZIBATDWBRKZ-UHFFFAOYSA-N	-1	0	263.297	0.867	20	30		CCEDRM
C#CCN(CC(=O)[O-])C(=O)c1cn2c(n1)CC[C@H](C)C2	ZINC001588418762	958185306	/nfs/dbraw/zinc/18/53/06/958185306.db2.gz	RSDBJLLJHINJKI-JTQLQIEISA-N	-1	0	275.308	0.625	20	30		CCEDRM
C#CCN(CC(=O)[O-])CC(=O)N(CCC)CC(F)(F)F	ZINC001588420120	958199492	/nfs/dbraw/zinc/19/94/92/958199492.db2.gz	MOEDUHVNNYYCCA-UHFFFAOYSA-N	-1	0	294.273	0.807	20	30		CCEDRM
C#CCN(CC(=O)[O-])[C@H](C(=O)OC)c1ccsc1	ZINC001588420131	958199806	/nfs/dbraw/zinc/19/98/06/958199806.db2.gz	MSHBNAMPBOTLSV-NSHDSACASA-N	-1	0	267.306	0.982	20	30		CCEDRM
C#CCN(CC(=O)[O-])CC(F)(F)Br	ZINC001588423854	958209141	/nfs/dbraw/zinc/20/91/41/958209141.db2.gz	GOTHWPYASCHMDM-UHFFFAOYSA-N	-1	0	256.046	0.994	20	30		CCEDRM
C#CCN(CC(=O)[O-])Cc1n[nH]cc1Br	ZINC001588424389	958216266	/nfs/dbraw/zinc/21/62/66/958216266.db2.gz	QGVOOSVDESJZFJ-UHFFFAOYSA-N	-1	0	272.102	0.692	20	30		CCEDRM
C#CCN(CC(=O)[O-])Cc1ncc(C2OCCO2)s1	ZINC001588425180	958222879	/nfs/dbraw/zinc/22/28/79/958222879.db2.gz	HFQIOWQEEFUDJF-UHFFFAOYSA-N	-1	0	282.321	0.708	20	30		CCEDRM
C#CCN(CC(=O)[O-])Cc1nc2ccccc2c(=O)n1C	ZINC001588425334	958224829	/nfs/dbraw/zinc/22/48/29/958224829.db2.gz	NYBFDDOIQNDUAK-UHFFFAOYSA-N	-1	0	285.303	0.453	20	30		CCEDRM
C#CCN(CC(=O)OC(C)(C)C)C(=O)CCC(=O)[O-]	ZINC001588426837	958236053	/nfs/dbraw/zinc/23/60/53/958236053.db2.gz	DNDKTNHCYRUTGF-UHFFFAOYSA-N	-1	0	269.297	0.655	20	30		CCEDRM
C#Cc1ccc(NC(=O)C(=O)N[C@H](C(=O)[O-])C(C)C)cc1	ZINC001588438831	958306603	/nfs/dbraw/zinc/30/66/03/958306603.db2.gz	DEINVOOGHSPPCA-LBPRGKRZSA-N	-1	0	288.303	0.832	20	30		CCEDRM
C=C(C)CONC(=O)C1(CC(=O)[O-])CCOCC1	ZINC001588440014	958326581	/nfs/dbraw/zinc/32/65/81/958326581.db2.gz	LAMGDBSFFJSLAA-UHFFFAOYSA-N	-1	0	257.286	0.882	20	30		CCEDRM
C=C(C)[C@H]1OCC[C@@H]1CNC(=O)c1cc(C(=O)[O-])n[nH]1	ZINC001588443290	958351788	/nfs/dbraw/zinc/35/17/88/958351788.db2.gz	ZDSXJCJCQLOZLC-LDYMZIIASA-N	-1	0	279.296	0.819	20	30		CCEDRM
C=C(CCC(=O)OC)C(=O)NC[C@@H](C(=O)[O-])C(C)C	ZINC001588444669	958365301	/nfs/dbraw/zinc/36/53/01/958365301.db2.gz	NBGVKDLTHZTHOV-SNVBAGLBSA-N	-1	0	271.313	0.969	20	30		CCEDRM
C=C[C@](C)(CCOC)C(=O)N1C[C@@H]2COC[C@]2(C(=O)[O-])C1	ZINC001588450948	958402016	/nfs/dbraw/zinc/40/20/16/958402016.db2.gz	IKJGGGFXQGRJBS-KCPJHIHWSA-N	-1	0	297.351	0.775	20	30		CCEDRM
C=C[C@](C)(O)CC(=O)NC[C@H]1CCC2(CC(C(=O)[O-])C2)O1	ZINC001588450941	958402185	/nfs/dbraw/zinc/40/21/85/958402185.db2.gz	IFNWYCMPPMTFDD-ZISVTKSWSA-N	-1	0	297.351	0.842	20	30		CCEDRM
C=CC[C@@H](C)NC(=O)C(=O)Nc1cncc(C(=O)[O-])c1	ZINC001588453011	958430203	/nfs/dbraw/zinc/43/02/03/958430203.db2.gz	MWXPSMNYDNRFFU-MRVPVSSYSA-N	-1	0	277.280	0.799	20	30		CCEDRM
C=CCN(CCC#N)C(=O)c1cc(C(=O)[O-])nn1C	ZINC001588463217	958480784	/nfs/dbraw/zinc/48/07/84/958480784.db2.gz	FCBOVHMWNSIDDG-UHFFFAOYSA-N	-1	0	262.269	0.660	20	30		CCEDRM
C=CCN1CC[C@H](N(C)C(=O)[C@@H]2CC[C@H](C(=O)[O-])C2)C1=O	ZINC001588464405	958491176	/nfs/dbraw/zinc/49/11/76/958491176.db2.gz	PEOXHEZLIQBUAC-WOPDTQHZSA-N	-1	0	294.351	0.733	20	30		CCEDRM
C=CCOC[C@@H]1NC(=O)N(C2CCC(C(=O)[O-])CC2)C1=O	ZINC001588465083	958496019	/nfs/dbraw/zinc/49/60/19/958496019.db2.gz	HHBVPDGRUWDLGQ-ILDUYXDCSA-N	-1	0	296.323	0.753	20	30		CCEDRM
C=CCOC[C@H](NC(=O)[C@H](C(=O)[O-])C(C)C)C(=O)OC	ZINC001588465257	958499638	/nfs/dbraw/zinc/49/96/38/958499638.db2.gz	UHNMUOBZQHZURU-VHSXEESVSA-N	-1	0	287.312	0.204	20	30		CCEDRM
C=CCOC[C@@H](NC(=O)[C@H](C(=O)[O-])C(C)C)C(=O)OC	ZINC001588465255	958500130	/nfs/dbraw/zinc/50/01/30/958500130.db2.gz	UHNMUOBZQHZURU-NXEZZACHSA-N	-1	0	287.312	0.204	20	30		CCEDRM
C=CCNC(=O)NC(=O)COC(=O)[C@]1(C(=O)[O-])CC1(C)C	ZINC001588465502	958505275	/nfs/dbraw/zinc/50/52/75/958505275.db2.gz	NWSNBFMVXMBFEJ-CYBMUJFWSA-N	-1	0	298.295	0.042	20	30		CCEDRM
C=C[C@@H]1OCCC[C@H]1NC(=O)c1cnc(C(=O)[O-])cn1	ZINC001573337173	958522126	/nfs/dbraw/zinc/52/21/26/958522126.db2.gz	LPBGYNQEZKDUQZ-KCJUWKMLSA-N	-1	0	277.280	0.638	20	30		CCEDRM
C=CCn1c([C@H](C)CO)nnc1N1CC[C@@H](C(=O)[O-])C1	ZINC001588470861	958532676	/nfs/dbraw/zinc/53/26/76/958532676.db2.gz	WYJDGQVVWHOXFT-NXEZZACHSA-N	-1	0	280.328	0.471	20	30		CCEDRM
C=C[C@@H]1OCC[C@H]1C(=O)N1CCC(C(=O)[O-])CC1	ZINC001588478324	958563358	/nfs/dbraw/zinc/56/33/58/958563358.db2.gz	GABKNJSFZVDPMW-MNOVXSKESA-N	-1	0	253.298	0.901	20	30		CCEDRM
C[C@@](C#N)(CC(=O)[O-])C(=O)N[C@H](CC#N)C(F)(F)F	ZINC001573359537	958585787	/nfs/dbraw/zinc/58/57/87/958585787.db2.gz	BULGXIHANFALOV-MUWHJKNJSA-N	-1	0	277.202	0.952	20	30		CCEDRM
C[C@H](C(=O)N1CCCC[C@@H]1C(=O)[O-])n1cnc(C#N)n1	ZINC001573362438	958598328	/nfs/dbraw/zinc/59/83/28/958598328.db2.gz	BADKDMFNSMXTBB-RKDXNWHRSA-N	-1	0	277.284	0.176	20	30		CCEDRM
CC(=NOC[C@H]1CCOC1)c1cn(CC(=O)[O-])nn1	ZINC001588486426	958611717	/nfs/dbraw/zinc/61/17/17/958611717.db2.gz	XRXYBHDTDSZVRO-VIFPVBQESA-N	-1	0	268.273	0.140	20	30		CCEDRM
C[C@](C#N)(CC(=O)[O-])C(=O)N[C@H](CO)C[C@H]1CCCO1	ZINC001573365058	958618698	/nfs/dbraw/zinc/61/86/98/958618698.db2.gz	RROYLECLPLNZFQ-OPQQBVKSSA-N	-1	0	284.312	0.037	20	30		CCEDRM
C[C@@H](CC#N)N(C)S(=O)(=O)c1scnc1C(=O)[O-]	ZINC000134708193	958857073	/nfs/dbraw/zinc/85/70/73/958857073.db2.gz	JRXFXZJIZKLXNT-LURJTMIESA-N	-1	0	289.338	0.764	20	30		CCEDRM
CC(=O)c1cc(COC(=O)[C@@](C)(C#N)CC(=O)[O-])on1	ZINC001588528016	958879192	/nfs/dbraw/zinc/87/91/92/958879192.db2.gz	LJDJWFKJWFTVRT-GFCCVEGCSA-N	-1	0	280.236	0.925	20	30		CCEDRM
C[C@@](C#N)(CC(=O)[O-])C(=O)N1CCC2(CNC(=O)O2)CC1	ZINC001588535056	958926570	/nfs/dbraw/zinc/92/65/70/958926570.db2.gz	MCPBBZCWAUBCIO-LBPRGKRZSA-N	-1	0	295.295	0.092	20	30		CCEDRM
C#CC[C@H](NC(=O)c1cccc([N+](=O)[O-])c1OC)C(=O)[O-]	ZINC000137537616	958934081	/nfs/dbraw/zinc/93/40/81/958934081.db2.gz	HMQDSLQDQQPFPB-VIFPVBQESA-N	-1	0	292.247	0.810	20	30		CCEDRM
C[C@](C#N)(CC(=O)[O-])C(=O)N[C@@H]1CCc2cncn2C1	ZINC001588538490	958941564	/nfs/dbraw/zinc/94/15/64/958941564.db2.gz	IUCLVVZJDVJIJS-NOZJJQNGSA-N	-1	0	276.296	0.319	20	30		CCEDRM
CC(C)(C)n1ncnc1CNC(=O)[C@](C)(C#N)CC(=O)[O-]	ZINC001588542300	958970382	/nfs/dbraw/zinc/97/03/82/958970382.db2.gz	VRHKEDQQIIOYJO-ZDUSSCGKSA-N	-1	0	293.327	0.654	20	30		CCEDRM
C[C@H](C#N)OC(=O)c1cccn(CC(=O)[O-])c1=O	ZINC001588543136	958976244	/nfs/dbraw/zinc/97/62/44/958976244.db2.gz	IBNGIOAJGYSYKD-SSDOTTSWSA-N	-1	0	250.210	0.002	20	30		CCEDRM
CC(C)[C@@H](C#N)N1CCN(C(=O)[C@@H]2CC[C@H]2C(=O)[O-])CC1	ZINC001573484395	958985997	/nfs/dbraw/zinc/98/59/97/958985997.db2.gz	IULKLONWVZVURP-JHJVBQTASA-N	-1	0	293.367	0.790	20	30		CCEDRM
C#CC[C@H](NC(=O)[C@@H](C)Oc1ccccc1C#N)C(=O)[O-]	ZINC000149905065	959030184	/nfs/dbraw/zinc/03/01/84/959030184.db2.gz	OKURQGSJRDEBSO-PWSUYJOCSA-N	-1	0	286.287	0.918	20	30		CCEDRM
C#CC[C@@H](NC(=O)[C@H](C)Oc1ccccc1C#N)C(=O)[O-]	ZINC000149905281	959030534	/nfs/dbraw/zinc/03/05/34/959030534.db2.gz	OKURQGSJRDEBSO-CMPLNLGQSA-N	-1	0	286.287	0.918	20	30		CCEDRM
C#CC[C@@H](NC(=O)c1ccc2c(c1)OCO2)C(=O)[O-]	ZINC000149931504	959031324	/nfs/dbraw/zinc/03/13/24/959031324.db2.gz	NTPWQLQKXKKFAO-SECBINFHSA-N	-1	0	261.233	0.622	20	30		CCEDRM
COC[C@@H](NC(=O)[C@@H](C)Oc1ccc(C#N)cc1)C(=O)[O-]	ZINC000158368320	959091376	/nfs/dbraw/zinc/09/13/76/959091376.db2.gz	ZUGFSVGGSGLPCO-BXKDBHETSA-N	-1	0	292.291	0.541	20	30		CCEDRM
C#CC[C@@H](NS(=O)(=O)c1cc(F)ccc1F)C(=O)[O-]	ZINC000161241907	959178436	/nfs/dbraw/zinc/17/84/36/959178436.db2.gz	LRIHJTOTOODYNG-SECBINFHSA-N	-1	0	289.259	0.720	20	30		CCEDRM
C#CCN(CC1CC1)S(=O)(=O)c1cnn(CC(=O)[O-])c1	ZINC000161812984	959195946	/nfs/dbraw/zinc/19/59/46/959195946.db2.gz	UZVWMDPPSJREOK-UHFFFAOYSA-N	-1	0	297.336	0.002	20	30		CCEDRM
C=C(C)COCCNC(=O)NCC1(C(=O)[O-])CC1	ZINC000164127500	959253492	/nfs/dbraw/zinc/25/34/92/959253492.db2.gz	HODAXJDNZSVCRD-UHFFFAOYSA-N	-1	0	256.302	0.743	20	30		CCEDRM
O=C([O-])[C@H]1C[C@H](NC(=O)NCC#CCO)c2ccccc21	ZINC001605752972	972415402	/nfs/dbraw/zinc/41/54/02/972415402.db2.gz	SYLUMEZLMCJQHJ-STQMWFEESA-N	-1	0	288.303	0.595	20	30		CCEDRM
C[C@@](O)(CNC(=O)c1c[nH]c2cccc(C#N)c21)C(=O)[O-]	ZINC001573580185	959348864	/nfs/dbraw/zinc/34/88/64/959348864.db2.gz	CBWZTASSJAXIQN-CQSZACIVSA-N	-1	0	287.275	0.605	20	30		CCEDRM
C[Si](C)(C)C#CCCNC(=O)c1cn(CC(=O)[O-])nn1	ZINC001594247199	959587529	/nfs/dbraw/zinc/58/75/29/959587529.db2.gz	LWYOHTHMZCWVBN-UHFFFAOYSA-N	-1	0	294.387	0.363	20	30		CCEDRM
CC(C)(C)[C@@H](C#N)NC(=O)[C@@H]1CCCN(CC(=O)[O-])C1=O	ZINC001588630960	959608524	/nfs/dbraw/zinc/60/85/24/959608524.db2.gz	UFOVIHCJPAOQCC-VHSXEESVSA-N	-1	0	295.339	0.364	20	30		CCEDRM
Cc1c(C(=O)NCCCC(=O)[O-])cnn1CCC#N	ZINC001594256547	959651745	/nfs/dbraw/zinc/65/17/45/959651745.db2.gz	AYKJNRIFOLVNGE-UHFFFAOYSA-N	-1	0	264.285	0.700	20	30		CCEDRM
CC(C)[C@](C)(C#N)NC(=O)[C@H](C)OC(=O)[C@@H](C)C(=O)[O-]	ZINC001603268200	972464089	/nfs/dbraw/zinc/46/40/89/972464089.db2.gz	FQKFSFLLBFFJTO-RVBZMBCESA-N	-1	0	284.312	0.693	20	30		CCEDRM
C=CCSCCNC(=O)NCCn1cc(C(=O)[O-])nn1	ZINC000231957955	960235529	/nfs/dbraw/zinc/23/55/29/960235529.db2.gz	WNYWLJIJUORSIM-UHFFFAOYSA-N	-1	0	299.356	0.195	20	30		CCEDRM
C#CCSCCNC(=O)N1CC[C@H](C(=O)[O-])[C@H]1C	ZINC000231958702	960237034	/nfs/dbraw/zinc/23/70/34/960237034.db2.gz	JQGUFVCHQCUZAC-ZJUUUORDSA-N	-1	0	270.354	0.857	20	30		CCEDRM
CN([C@@H]1CCN(CC(=O)[O-])C1=O)[C@@H]1CCC[C@@H]1C#N	ZINC001604101986	972503271	/nfs/dbraw/zinc/50/32/71/972503271.db2.gz	FPSUHICNZYIEQL-GMTAPVOTSA-N	-1	0	265.313	0.296	20	30		CCEDRM
N#CC[C@H](C(=O)N1CCO[C@@H](C(=O)[O-])C1)c1ccccc1	ZINC001574241506	960465741	/nfs/dbraw/zinc/46/57/41/960465741.db2.gz	MTBXXKKUZBKQGC-QWHCGFSZSA-N	-1	0	288.303	0.996	20	30		CCEDRM
CC(=O)c1cccc(C#N)c1OCC(=O)NCCC(=O)[O-]	ZINC001571035120	960521044	/nfs/dbraw/zinc/52/10/44/960521044.db2.gz	AYBURPVNDPXCSG-UHFFFAOYSA-N	-1	0	290.275	0.731	20	30		CCEDRM
CCC(C#N)(CC)C(=O)N[C@@H](CCC(=O)OC)C(=O)[O-]	ZINC001573759162	960594410	/nfs/dbraw/zinc/59/44/10/960594410.db2.gz	OPXCCRAWXNNJEL-VIFPVBQESA-N	-1	0	284.312	0.839	20	30		CCEDRM
C[C@@H]1CC[C@H](C(=O)[O-])N1S(=O)(=O)CC(C)(C)C#N	ZINC001574275539	960631526	/nfs/dbraw/zinc/63/15/26/960631526.db2.gz	QMNJXORWXXEVNR-RKDXNWHRSA-N	-1	0	274.342	0.803	20	30		CCEDRM
C[C@@H]1CC[C@H](C(=O)[O-])N1S(=O)(=O)c1ccc(C#N)cn1	ZINC001574275597	960633875	/nfs/dbraw/zinc/63/38/75/960633875.db2.gz	VSWYWKGAFYDXEG-PSASIEDQSA-N	-1	0	295.320	0.579	20	30		CCEDRM
Cc1oc(C#N)cc1C(=O)N[C@@H](CC1OCCO1)C(=O)[O-]	ZINC001571052695	960694970	/nfs/dbraw/zinc/69/49/70/960694970.db2.gz	NMLLQGUIDUIFKD-JTQLQIEISA-N	-1	0	294.263	0.406	20	30		CCEDRM
N#Cc1c2ccccc2[nH]c1C(=O)N1C[C@H](O)C[C@@H]1C(=O)[O-]	ZINC001571066620	960834290	/nfs/dbraw/zinc/83/42/90/960834290.db2.gz	ICRDZZXHJNAANU-PRHODGIISA-N	-1	0	299.286	0.700	20	30		CCEDRM
CC[C@H](CNS(=O)(=O)c1ccc(C#N)cn1)C(=O)[O-]	ZINC001573804953	960849021	/nfs/dbraw/zinc/84/90/21/960849021.db2.gz	BKMYWZGJTDBGGZ-SECBINFHSA-N	-1	0	283.309	0.342	20	30		CCEDRM
C[C@H]1CN(S(=O)(=O)c2ccc(C#N)o2)C[C@]1(C)C(=O)[O-]	ZINC001571067303	960851718	/nfs/dbraw/zinc/85/17/18/960851718.db2.gz	UDSFAMBTMBXYPK-UFBFGSQYSA-N	-1	0	298.320	0.883	20	30		CCEDRM
CCC1(CNC(=O)[C@](C)(C#N)CC(=O)[O-])COC1	ZINC001573828194	960988810	/nfs/dbraw/zinc/98/88/10/960988810.db2.gz	CHXXPRORYQUKTP-NSHDSACASA-N	-1	0	254.286	0.534	20	30		CCEDRM
Cc1ccc(C#N)c(N2C[C@H]3COC[C@@]3(C(=O)[O-])C2)n1	ZINC001574351209	960989954	/nfs/dbraw/zinc/98/99/54/960989954.db2.gz	GRSGWNNDQSCPCL-FZMZJTMJSA-N	-1	0	273.292	0.799	20	30		CCEDRM
CC(C)(CCNC(=O)C1(C#N)CCOCC1)C(=O)[O-]	ZINC001588767680	961250001	/nfs/dbraw/zinc/25/00/01/961250001.db2.gz	SEOLMIGKVWWPJM-UHFFFAOYSA-N	-1	0	268.313	0.924	20	30		CCEDRM
Cc1cnc(CCNC(=O)[C@@](C)(C#N)CC(=O)[O-])cn1	ZINC001574410627	961278017	/nfs/dbraw/zinc/27/80/17/961278017.db2.gz	IFQCMJUPBDSHGQ-CYBMUJFWSA-N	-1	0	276.296	0.448	20	30		CCEDRM
CC(C)[C@@H](C#N)N1CCN(C(=O)C2(C(=O)[O-])CC2)CC1	ZINC001588802274	961430900	/nfs/dbraw/zinc/43/09/00/961430900.db2.gz	VQSHGTAAEMWQSA-LLVKDONJSA-N	-1	0	279.340	0.544	20	30		CCEDRM
CC(C)[C@H](C(=O)[O-])C(=O)NCCNc1ncccc1C#N	ZINC001588804751	961468894	/nfs/dbraw/zinc/46/88/94/961468894.db2.gz	IZINOWCYLUBECQ-NSHDSACASA-N	-1	0	290.323	0.838	20	30		CCEDRM
N#C[C@H]1C[C@H]1C(=O)NC[C@@H]1CCC2(CC(C(=O)[O-])C2)O1	ZINC001574479949	961653987	/nfs/dbraw/zinc/65/39/87/961653987.db2.gz	RPZXJMGXZPVUJL-POOZPEKCSA-N	-1	0	278.308	0.675	20	30		CCEDRM
N#CC[C@@H](NC(=O)[C@H]1CC(C(=O)[O-])=NO1)C(F)(F)F	ZINC001574481140	961669172	/nfs/dbraw/zinc/66/91/72/961669172.db2.gz	VHWLMDGPBJFMOY-PHDIDXHHSA-N	-1	0	279.174	0.177	20	30		CCEDRM
N#Cc1ccc(S(=O)(=O)N[C@H]2C[C@H](C(=O)[O-])C2)nc1	ZINC001574489471	961704207	/nfs/dbraw/zinc/70/42/07/961704207.db2.gz	JCOVMQJFRUJANC-KYZUINATSA-N	-1	0	281.293	0.095	20	30		CCEDRM
CN(CCCC(=O)[O-])S(=O)(=O)c1ccc(C#N)cn1	ZINC001574013317	961927270	/nfs/dbraw/zinc/92/72/70/961927270.db2.gz	VRGWJJHDWKZMLE-UHFFFAOYSA-N	-1	0	283.309	0.439	20	30		CCEDRM
COC(=O)CCN(CC(=O)[O-])c1nnc(C)c(C)c1C#N	ZINC001574061970	962209970	/nfs/dbraw/zinc/20/99/70/962209970.db2.gz	YJGBDOVMRCIZLG-UHFFFAOYSA-N	-1	0	292.295	0.419	20	30		CCEDRM
COC1(C(F)(F)F)CN(C(=O)[C@@](C)(C#N)CC(=O)[O-])C1	ZINC001574119875	962488248	/nfs/dbraw/zinc/48/82/48/962488248.db2.gz	IYSAJYMDKPOACA-SECBINFHSA-N	-1	0	294.229	0.781	20	30		CCEDRM
C#C[C@@H](CO)NC(=O)c1cc(C(=O)[O-])nn1-c1ccccc1	ZINC001573301988	962641374	/nfs/dbraw/zinc/64/13/74/962641374.db2.gz	HXDNWJZTLDFFDH-JTQLQIEISA-N	-1	0	299.286	0.294	20	30		CCEDRM
COCCN(CCC(=O)[O-])C(=O)N[C@@H]1CC[C@H](C#N)C1	ZINC001574157310	962692912	/nfs/dbraw/zinc/69/29/12/962692912.db2.gz	UTGVOTJHGQMIMC-WDEREUQCSA-N	-1	0	283.328	0.811	20	30		CCEDRM
C#CCSCC(=O)N1CC[C@@H](C(=O)[O-])[C@@H](C)C1	ZINC001573312662	962724201	/nfs/dbraw/zinc/72/42/01/962724201.db2.gz	YUQAHFIBDLDWIB-VHSXEESVSA-N	-1	0	255.339	0.922	20	30		CCEDRM
C#CCN(CC(=O)N1CC(C(=O)[O-])C1)C(=O)OC(C)(C)C	ZINC001573319710	962747780	/nfs/dbraw/zinc/74/77/80/962747780.db2.gz	ZXKMQCRVWHNMGS-UHFFFAOYSA-N	-1	0	296.323	0.400	20	30		CCEDRM
C=C(C)C[C@H](CO)NS(=O)(=O)c1c[nH]c(C(=O)[O-])c1	ZINC001573320931	962752735	/nfs/dbraw/zinc/75/27/35/962752735.db2.gz	GUQJWUGDVJFZIW-MRVPVSSYSA-N	-1	0	288.325	0.318	20	30		CCEDRM
C=C(C)C(C)(C)C(=O)N(CC)CCNC(=O)CNC(=O)[O-]	ZINC001573322033	962764734	/nfs/dbraw/zinc/76/47/34/962764734.db2.gz	UIZQBXDRSBLCJM-UHFFFAOYSA-N	-1	0	299.371	0.821	20	30		CCEDRM
C=C(C)C[C@H](NC(C)=O)C(=O)NC[C@@]1(C(=O)[O-])CCOC1	ZINC001573323416	962772917	/nfs/dbraw/zinc/77/29/17/962772917.db2.gz	BIYHKYGCPAERGG-FZMZJTMJSA-N	-1	0	298.339	0.065	20	30		CCEDRM
C=C(C)C[C@H](Nc1nccc(C(N)=O)c1[N+](=O)[O-])C(=O)[O-]	ZINC001573324604	962787620	/nfs/dbraw/zinc/78/76/20/962787620.db2.gz	VRAXHDBIODUWPP-QMMMGPOBSA-N	-1	0	294.267	0.920	20	30		CCEDRM
C=C(CCC(=O)[O-])C(=O)N1CC[C@H](C(=O)OC)[C@@H]1C	ZINC001573332076	962824155	/nfs/dbraw/zinc/82/41/55/962824155.db2.gz	IAQUNCKIDDBESQ-UWVGGRQHSA-N	-1	0	269.297	0.817	20	30		CCEDRM
C=C(CCC(=O)[O-])C(=O)NC[C@H](CO)Cc1cccnc1	ZINC001573332229	962827775	/nfs/dbraw/zinc/82/77/75/962827775.db2.gz	FSESLXIUVABOCT-CYBMUJFWSA-N	-1	0	292.335	0.770	20	30		CCEDRM
C=C(CCC(=O)[O-])C(=O)N[C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@H]12	ZINC001573338121	962871658	/nfs/dbraw/zinc/87/16/58/962871658.db2.gz	XXXRCBXJWFQVSB-ULHKAFAUSA-N	-1	0	251.282	0.699	20	30		CCEDRM
C=C(Cl)CN(C)CCN(C)C(=O)CNC(=O)[O-]	ZINC001573338614	962877119	/nfs/dbraw/zinc/87/71/19/962877119.db2.gz	FGAFEEQVNYUNBV-UHFFFAOYSA-N	-1	0	263.725	0.397	20	30		CCEDRM
C=C(Cl)C[C@H](NC(=O)[C@H]1C[C@H]1C(=O)[O-])C(=O)OCC	ZINC001573339686	962893369	/nfs/dbraw/zinc/89/33/69/962893369.db2.gz	VTMMYATUDPIOLD-YIZRAAEISA-N	-1	0	289.715	0.898	20	30		CCEDRM
C=CCC(F)(F)C(=O)N[C@@H](CC1OCCO1)C(=O)[O-]	ZINC001573350053	962962314	/nfs/dbraw/zinc/96/23/14/962962314.db2.gz	AHAGIDOWCCLKJI-ZETCQYMHSA-N	-1	0	279.239	0.530	20	30		CCEDRM
C=CCCC(=O)NC[C@@H](NC(=O)CNC(=O)[O-])C(C)C	ZINC001573353028	962996270	/nfs/dbraw/zinc/99/62/70/962996270.db2.gz	ODHYBIIJRWECIN-SNVBAGLBSA-N	-1	0	285.344	0.477	20	30		CCEDRM
C=CCCC(=O)N(C)C1CN(C(=O)[C@H]2C[C@H]2C(=O)[O-])C1	ZINC001573353135	962997987	/nfs/dbraw/zinc/99/79/87/962997987.db2.gz	PNFBVZGFTUXSAV-WDEREUQCSA-N	-1	0	280.324	0.343	20	30		CCEDRM
N#Cc1nc(C(=O)[O-])ccc1NCc1ccc(=O)[nH]n1	ZINC001570997056	963192290	/nfs/dbraw/zinc/19/22/90/963192290.db2.gz	XZQTXJZFVZLAGE-UHFFFAOYSA-N	-1	0	271.236	0.759	20	30		CCEDRM
C=C(Cl)CN1CC(CNC(=O)[C@@H]2C[C@H]2C(=O)[O-])C1	ZINC001570999571	963208919	/nfs/dbraw/zinc/20/89/19/963208919.db2.gz	IOFBYJCLJWRMTM-NXEZZACHSA-N	-1	0	272.732	0.508	20	30		CCEDRM
COC(=O)[C@@H]1CCN(C(=O)[C@@H]2C[C@@H]2C#N)[C@H](C(=O)[O-])C1	ZINC001571013541	963299047	/nfs/dbraw/zinc/29/90/47/963299047.db2.gz	LOTDXENSXAKNHZ-KYXWUPHJSA-N	-1	0	280.280	0.011	20	30		CCEDRM
COC[C@@H](C)CNC(=O)N1CCC(C#N)(C(=O)[O-])CC1	ZINC001571024572	963358977	/nfs/dbraw/zinc/35/89/77/963358977.db2.gz	JGOOKUKQMYFHIV-JTQLQIEISA-N	-1	0	283.328	0.669	20	30		CCEDRM
C=CCN(CC=C)S(=O)(=O)c1cc(C(=O)[O-])no1	ZINC000316022246	963966284	/nfs/dbraw/zinc/96/62/84/963966284.db2.gz	TUKYFDVPZTVJGV-UHFFFAOYSA-N	-1	0	272.282	0.736	20	30		CCEDRM
C=C(Br)CNC(=O)c1cc(C(=O)[O-])nn1C	ZINC001588439165	964028146	/nfs/dbraw/zinc/02/81/46/964028146.db2.gz	HVJOAAISOCMHCB-UHFFFAOYSA-N	-1	0	288.101	0.757	20	30		CCEDRM
C#CCCCCNC(=O)N1CC[C@@]2(CC(C(=O)[O-])=NO2)C1	ZINC001588441306	964051272	/nfs/dbraw/zinc/05/12/72/964051272.db2.gz	DBGHISOHNGJCRD-CQSZACIVSA-N	-1	0	293.323	0.805	20	30		CCEDRM
C=C(C)C[C@@H](NC(C)=O)C(=O)NC[C@H](CC)C(=O)[O-]	ZINC001588442971	964059472	/nfs/dbraw/zinc/05/94/72/964059472.db2.gz	VYVBNFUNMJUKDF-WDEREUQCSA-N	-1	0	270.329	0.684	20	30		CCEDRM
C#CCCCS(=O)(=O)NC1(C(=O)[O-])CCSCC1	ZINC001588447469	964087197	/nfs/dbraw/zinc/08/71/97/964087197.db2.gz	XTSXSWRJJXSLBZ-UHFFFAOYSA-N	-1	0	291.394	0.670	20	30		CCEDRM
C#CCN(CC(=O)[O-])CC(=O)N1[C@@H](C)CCC[C@@H]1C	ZINC000092484525	967597236	/nfs/dbraw/zinc/59/72/36/967597236.db2.gz	LZZVADSFHCPLOX-RYUDHWBXSA-N	-1	0	266.341	0.796	20	30		CCEDRM
C#CCN(CC(=O)[O-])C(=O)N[C@H]1CCO[C@H](C)C1	ZINC000235278954	967763344	/nfs/dbraw/zinc/76/33/44/967763344.db2.gz	VURTZWHOXNTFTJ-ZJUUUORDSA-N	-1	0	254.286	0.283	20	30		CCEDRM
C[C@H](C(=O)[O-])C(=O)Nc1nc2n(c1C#N)CCS2	ZINC001609706493	970483604	/nfs/dbraw/zinc/48/36/04/970483604.db2.gz	VISFTRRNSXKGGD-YFKPBYRVSA-N	-1	0	266.282	0.520	20	30		CCEDRM
CC(C)c1nnc(NC(=O)[C@](C)(C#N)CC(=O)[O-])[nH]1	ZINC001609863165	970553650	/nfs/dbraw/zinc/55/36/50/970553650.db2.gz	PFMFALYVJLWPNJ-NSHDSACASA-N	-1	0	265.273	0.871	20	30		CCEDRM
CC1(C)C[C@@]1(C(=O)[O-])C(=O)NC[C@H]1CCCN(CC#N)C1	ZINC001603321782	972645573	/nfs/dbraw/zinc/64/55/73/972645573.db2.gz	YTJCPQDXSNPBNA-ABAIWWIYSA-N	-1	0	293.367	0.839	20	30		CCEDRM
COC(=O)[C@@H](CNC(=O)[C@@](C)(C#N)CC(=O)[O-])CC(C)C	ZINC001604268070	972815555	/nfs/dbraw/zinc/81/55/55/972815555.db2.gz	QMPWNTPCMQDLNN-QMTHXVAHSA-N	-1	0	298.339	0.942	20	30		CCEDRM
COC(=O)CC[C@H](NC(=O)c1cc(C#N)cn1C)C(=O)[O-]	ZINC001604320752	972994212	/nfs/dbraw/zinc/99/42/12/972994212.db2.gz	IJPUUZUBZXEABL-VIFPVBQESA-N	-1	0	293.279	0.033	20	30		CCEDRM
N#CCc1ccc(NC(=O)NC[C@H](O)CC(=O)[O-])cc1	ZINC000398346883	973124036	/nfs/dbraw/zinc/12/40/36/973124036.db2.gz	UYDALUSLYUYSTL-LLVKDONJSA-N	-1	0	277.280	0.710	20	30		CCEDRM
Cc1ccccc1-n1cc(C=NNCCC(=O)[O-])nn1	ZINC001605351214	973255909	/nfs/dbraw/zinc/25/59/09/973255909.db2.gz	AULURMLYPAUKQJ-UHFFFAOYSA-N	-1	0	273.296	0.974	20	30		CCEDRM
C[C@@H]1CN(c2nnc([C@@H]3C[C@@H]3C#N)n2C)CC[C@H]1C(=O)[O-]	ZINC001603470649	973338430	/nfs/dbraw/zinc/33/84/30/973338430.db2.gz	MFTFWUGXFNXOIE-GWOFURMSSA-N	-1	0	289.339	0.989	20	30		CCEDRM
Cc1[nH]nc(NC(=O)[C@H](C(=O)[O-])C(C)C)c1C#N	ZINC001605388027	973356304	/nfs/dbraw/zinc/35/63/04/973356304.db2.gz	BCTDYJRHCWEZKP-MRVPVSSYSA-N	-1	0	250.258	0.885	20	30		CCEDRM
C[C@@H]1OCC[C@H]1COC(=O)[C@](C)(C#N)CC(=O)[O-]	ZINC001603479516	973375557	/nfs/dbraw/zinc/37/55/57/973375557.db2.gz	DDUMYNGEFNHFLO-AUTRQRHGSA-N	-1	0	255.270	0.959	20	30		CCEDRM
C#CCCCCC(=O)N1C[C@H](O)C[C@H](C(=O)[O-])C1	ZINC000401877772	973483825	/nfs/dbraw/zinc/48/38/25/973483825.db2.gz	MSIMSJYWVLVJNU-WDEREUQCSA-N	-1	0	253.298	0.474	20	30		CCEDRM
COC[C@]1(C(=O)[O-])CCN(C(=O)NCC2(CC#N)CC2)C1	ZINC001604533588	973493531	/nfs/dbraw/zinc/49/35/31/973493531.db2.gz	PBGRLWWVDFPTDY-AWEZNQCLSA-N	-1	0	295.339	0.813	20	30		CCEDRM
Cc1cc(N2C[C@H](O)C[C@H](C(=O)[O-])C2)c(C#N)cn1	ZINC000401906565	973516386	/nfs/dbraw/zinc/51/63/86/973516386.db2.gz	HVBIKBRMKUPBNC-GXSJLCMTSA-N	-1	0	261.281	0.534	20	30		CCEDRM
Cc1cc(N2C[C@H](O)C[C@@H](C(=O)[O-])C2)cc(C#N)n1	ZINC000401921120	973534969	/nfs/dbraw/zinc/53/49/69/973534969.db2.gz	IYLPUXCZNYHZJP-BXKDBHETSA-N	-1	0	261.281	0.534	20	30		CCEDRM
COC[C@@]1(C(=O)[O-])CN(C(=O)c2coc(C#N)c2)CCO1	ZINC001604557783	973600910	/nfs/dbraw/zinc/60/09/10/973600910.db2.gz	JJZBRKBOAFAQET-CYBMUJFWSA-N	-1	0	294.263	0.093	20	30		CCEDRM
N#CC1(CC(=O)Nc2ncn(CC(=O)[O-])n2)CCOCC1	ZINC001605576454	973848160	/nfs/dbraw/zinc/84/81/60/973848160.db2.gz	NWISIRPWFGCYEA-UHFFFAOYSA-N	-1	0	293.283	0.012	20	30		CCEDRM
N#C[C@@]1(F)CCN(C(=O)C2(C(=O)[O-])CC=CC2)C1	ZINC001605583204	973872165	/nfs/dbraw/zinc/87/21/65/973872165.db2.gz	NOVAYXQFQMZLOS-NSHDSACASA-N	-1	0	252.245	0.872	20	30		CCEDRM
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N#Cc1ccc(C(=O)OCCc2cn(CC(=O)[O-])nn2)o1	ZINC001605601815	973907823	/nfs/dbraw/zinc/90/78/23/973907823.db2.gz	FEFFLTWFAQXIBF-UHFFFAOYSA-N	-1	0	290.235	0.227	20	30		CCEDRM
CCCNC(=O)[C@@H](C)NC(=O)[C@](C)(C#N)CC(=O)[O-]	ZINC001603674601	974059068	/nfs/dbraw/zinc/05/90/68/974059068.db2.gz	OAKKVKKSZGHURL-PELKAZGASA-N	-1	0	269.301	0.022	20	30		CCEDRM
CC(C)[C@@H](C#N)NC(=O)[C@H]1C[C@@H](C)[C@H](C(=O)[O-])O1	ZINC001591829136	976090590	/nfs/dbraw/zinc/09/05/90/976090590.db2.gz	FDPNIBYMGOKEBH-ZYUZMQFOSA-N	-1	0	254.286	0.529	20	30		CCEDRM
CC(C)[C@@H](C#N)NS(=O)(=O)c1csnc1C(=O)[O-]	ZINC001591831338	976099675	/nfs/dbraw/zinc/09/96/75/976099675.db2.gz	NVVDUYIUZNBQTN-ZCFIWIBFSA-N	-1	0	289.338	0.668	20	30		CCEDRM
CC(C)[C@H](C#N)NC(=O)Cc1ccc(C(=O)[O-])nc1	ZINC001591852544	976136337	/nfs/dbraw/zinc/13/63/37/976136337.db2.gz	NCPRZEHVHZVWTM-NSHDSACASA-N	-1	0	261.281	0.987	20	30		CCEDRM
C[C@H](/C=C\C(=O)[O-])NC(=O)C1(C#N)CCOCC1	ZINC001592191698	977135484	/nfs/dbraw/zinc/13/54/84/977135484.db2.gz	CMPBDYDIIJYJCR-PKRMOACSSA-N	-1	0	252.270	0.452	20	30		CCEDRM
C[C@H](/C=C/C(=O)[O-])NS(=O)(=O)c1ccc(C#N)cn1	ZINC001592210183	977252028	/nfs/dbraw/zinc/25/20/28/977252028.db2.gz	BIOYKEUXBMSWKS-IBDUZEINSA-N	-1	0	281.293	0.261	20	30		CCEDRM
C[C@H](/C=C\C(=O)[O-])NS(=O)(=O)c1ccsc1C#N	ZINC001592210795	977257853	/nfs/dbraw/zinc/25/78/53/977257853.db2.gz	GVRHIJLUHPXTLX-SKRYNEFJSA-N	-1	0	286.334	0.927	20	30		CCEDRM
C[C@H](CC#N)C(=O)N[C@](C)(Cn1cccn1)C(=O)[O-]	ZINC001592211675	977263429	/nfs/dbraw/zinc/26/34/29/977263429.db2.gz	MNLATGRGCDUXMB-BXKDBHETSA-N	-1	0	264.285	0.392	20	30		CCEDRM
C[C@H](CC(=O)[O-])C(=O)NCC1(C#N)CCOCC1	ZINC001592351430	977825205	/nfs/dbraw/zinc/82/52/05/977825205.db2.gz	JVJLVKVVJFCTBZ-SECBINFHSA-N	-1	0	254.286	0.534	20	30		CCEDRM
C[C@@](CCF)(NC(=O)c1ccc(C#N)cn1)C(=O)[O-]	ZINC001592498025	978305954	/nfs/dbraw/zinc/30/59/54/978305954.db2.gz	MNOUKMKGESCPAZ-LBPRGKRZSA-N	-1	0	265.244	0.886	20	30		CCEDRM
C[C@H](CN(C)C(=O)[C@@H](C)C#N)Nc1ncc(C(=O)[O-])cn1	ZINC001592564040	978456725	/nfs/dbraw/zinc/45/67/25/978456725.db2.gz	PYCMPXIIDIENGR-DTWKUNHWSA-N	-1	0	291.311	0.593	20	30		CCEDRM
C[C@@H](CN(C)C(=O)C1CC2(C1)C[NH2+]C[C@H]2C#N)C(=O)[O-]	ZINC001592570007	978466492	/nfs/dbraw/zinc/46/64/92/978466492.db2.gz	UIDSJMKGWCSXHB-MMIJRFEOSA-N	-1	0	279.340	0.305	20	30		CCEDRM
CC[C@@H](CC#N)N[C@@H](C)C(=O)N1CCC(C(=O)[O-])CC1	ZINC001595030285	979166040	/nfs/dbraw/zinc/16/60/40/979166040.db2.gz	NNVHEQZOTXDMFV-JQWIXIFHSA-N	-1	0	281.356	0.980	20	30		CCEDRM
CCC(CC)(NS(=O)(=O)N(C)C[C@H](C)C#N)C(=O)[O-]	ZINC001595101417	979406942	/nfs/dbraw/zinc/40/69/42/979406942.db2.gz	KNFXBXKSOIZSHI-SECBINFHSA-N	-1	0	291.373	0.556	20	30		CCEDRM
C[C@@H](CS(=O)(=O)N1Cc2cccc(C#N)c2C1)C(=O)[O-]	ZINC001592800932	979461831	/nfs/dbraw/zinc/46/18/31/979461831.db2.gz	UVVAULVOLYGZGN-VIFPVBQESA-N	-1	0	294.332	0.924	20	30		CCEDRM
CC[C@@H](C(=O)[O-])C(=O)O[C@@H](C)C(=O)NC1(C#N)CCC1	ZINC001594766612	981723697	/nfs/dbraw/zinc/72/36/97/981723697.db2.gz	YTHYPMJALOFXOT-IUCAKERBSA-N	-1	0	282.296	0.591	20	30		CCEDRM
CC[C@](C)(C#N)C(=O)O[C@@H](C)c1cn(CC(=O)[O-])nn1	ZINC001594777604	981769103	/nfs/dbraw/zinc/76/91/03/981769103.db2.gz	BVFZMPLQEKFJLX-QPUJVOFHSA-N	-1	0	280.284	0.907	20	30		CCEDRM
CC[C@](C)(C#N)C(=O)N1CCC(O)(C(=O)[O-])CC1	ZINC001594777628	981769925	/nfs/dbraw/zinc/76/99/25/981769925.db2.gz	CHBZQSVJCQYANK-LLVKDONJSA-N	-1	0	254.286	0.364	20	30		CCEDRM
CC[C@@](C)(C#N)C(=O)NCCn1cc(C(=O)[O-])nn1	ZINC001594778688	981780699	/nfs/dbraw/zinc/78/06/99/981780699.db2.gz	YXGMDNIQGHMMQT-NSHDSACASA-N	-1	0	265.273	0.032	20	30		CCEDRM
CC[C@@](C)(NC(=O)Cc1ccc(C#N)nc1)C(=O)[O-]	ZINC001594840309	982049220	/nfs/dbraw/zinc/04/92/20/982049220.db2.gz	LATZRLFQLAOOOM-CYBMUJFWSA-N	-1	0	261.281	0.865	20	30		CCEDRM
CC[C@H](C)[C@@H](NC(=O)CN1CCC(C#N)CC1)C(=O)[O-]	ZINC001594892231	982294749	/nfs/dbraw/zinc/29/47/49/982294749.db2.gz	PGLWVSDGDPFXNH-GXFFZTMASA-N	-1	0	281.356	0.837	20	30		CCEDRM
CCCCCNC(=O)[C@@H](C#N)C(=O)[C@@H]1CC[C@H](C(=O)[O-])O1	ZINC001595716730	982324152	/nfs/dbraw/zinc/32/41/52/982324152.db2.gz	JKXPHVUKEYBKDD-GARJFASQSA-N	-1	0	296.323	0.634	20	30		CCEDRM
CC[C@H](C)[C@H](NC(=O)COC(=O)[C@H](C)CC#N)C(=O)[O-]	ZINC001594898459	982349519	/nfs/dbraw/zinc/34/95/19/982349519.db2.gz	XJPYKDSASCYOQR-NGZCFLSTSA-N	-1	0	284.312	0.695	20	30		CCEDRM
Cc1cc(C#N)cc(N[C@@H](C)C(=O)N[C@@H](C)C(=O)[O-])n1	ZINC001574127477	983174154	/nfs/dbraw/zinc/17/41/54/983174154.db2.gz	MHDOXEURYKEDCX-IUCAKERBSA-N	-1	0	276.296	0.651	20	30		CCEDRM
C#C[C@H](C)N(C)CC(=O)N[C@@H](C(=O)[O-])[C@H](C)CC	ZINC001588368666	983307876	/nfs/dbraw/zinc/30/78/76/983307876.db2.gz	QMJFZVPZCFWPPL-JFGNBEQYSA-N	-1	0	254.330	0.555	20	30		CCEDRM
C#C[C@@H](CC)OC(=O)Cn1cccc(C(=O)[O-])c1=O	ZINC001588369773	983317402	/nfs/dbraw/zinc/31/74/02/983317402.db2.gz	WHBFZBWPQYIUBJ-VIFPVBQESA-N	-1	0	263.249	0.502	20	30		CCEDRM
C#C[C@@H](CO)NC(=O)Nc1cc2[nH]ccc2c(C(=O)[O-])c1	ZINC001588370636	983321008	/nfs/dbraw/zinc/32/10/08/983321008.db2.gz	JHPYILGRIHGQBZ-QMMMGPOBSA-N	-1	0	287.275	0.982	20	30		CCEDRM
C#C[C@@H](NC(=O)c1ccc(C(=O)[O-])[nH]1)[C@@H]1CCCO1	ZINC001588376354	983351551	/nfs/dbraw/zinc/35/15/51/983351551.db2.gz	DCEBSOQHHNSYMO-KCJUWKMLSA-N	-1	0	262.265	0.624	20	30		CCEDRM
C#CC1(NS(=O)(=O)CC(C)(C)C(=O)[O-])CCCC1	ZINC001588379675	983365458	/nfs/dbraw/zinc/36/54/58/983365458.db2.gz	OQRFIFKMNGKDTM-UHFFFAOYSA-N	-1	0	273.354	0.963	20	30		CCEDRM
C#C[C@@H]1CCCCN1S(=O)(=O)[C@H]1C[C@@H](C(=O)[O-])C1	ZINC001588382254	983369655	/nfs/dbraw/zinc/36/96/55/983369655.db2.gz	LBGBDQDNPVJQJH-MXWKQRLJSA-N	-1	0	271.338	0.667	20	30		CCEDRM
C#C[C@H]1CCCCN1S(=O)(=O)c1ccc(C(=O)[O-])nc1	ZINC001588383005	983377010	/nfs/dbraw/zinc/37/70/10/983377010.db2.gz	WCAGGDPYJQSIQV-JTQLQIEISA-N	-1	0	294.332	0.956	20	30		CCEDRM
C#C[C@H]1CCCCN1C(=O)NC[C@H]1C[C@H]1C(=O)[O-]	ZINC001588383212	983379291	/nfs/dbraw/zinc/37/92/91/983379291.db2.gz	ZUGKXAMCGARZGF-OUAUKWLOSA-N	-1	0	250.298	0.904	20	30		CCEDRM
C#CC1CCN(S(=O)(=O)c2cc(C(=O)[O-])[nH]n2)CC1	ZINC001588383506	983382159	/nfs/dbraw/zinc/38/21/59/983382159.db2.gz	BSVIEWAMQLANDW-UHFFFAOYSA-N	-1	0	283.309	0.142	20	30		CCEDRM
C#C[C@@H]1COCCN1CC(=O)NC1(C(=O)[O-])CCCCC1	ZINC001588383677	983383234	/nfs/dbraw/zinc/38/32/34/983383234.db2.gz	HFHCZERVCBOTIJ-GFCCVEGCSA-N	-1	0	294.351	0.224	20	30		CCEDRM
C#C[C@@H]1COCCN1C(=O)[C@@H]1CCC[C@H](C(=O)[O-])C1	ZINC001588384221	983388161	/nfs/dbraw/zinc/38/81/61/983388161.db2.gz	ZOQZWNJQVQCQPV-GRYCIOLGSA-N	-1	0	265.309	0.738	20	30		CCEDRM
C#CC[C@H](CCOC)NC(=O)C12CC(C(=O)[O-])(C1)C2	ZINC001588390281	983392733	/nfs/dbraw/zinc/39/27/33/983392733.db2.gz	PVZYUZBLUPHMCX-GWMXKSKGSA-N	-1	0	265.309	0.786	20	30		CCEDRM
C#CC[C@H](CO)NC(=O)NCc1ccccc1CC(=O)[O-]	ZINC001588393152	983396336	/nfs/dbraw/zinc/39/63/36/983396336.db2.gz	CGFGQXZSZLLBBO-CYBMUJFWSA-N	-1	0	290.319	0.497	20	30		CCEDRM
C#CC[C@@H](CO)NC(=O)NCC1(CC(=O)[O-])CCCC1	ZINC001588393305	983397841	/nfs/dbraw/zinc/39/78/41/983397841.db2.gz	FNFWJXSXWYLGLY-NSHDSACASA-N	-1	0	282.340	0.705	20	30		CCEDRM
C#CC[C@@H](COC)NC(=O)N[C@@H]1C[C@@H]2C[C@@H](C(=O)[O-])C[C@H]12	ZINC001588393997	983401356	/nfs/dbraw/zinc/40/13/56/983401356.db2.gz	IMYCWPUBRRBTSC-FPYNETTCSA-N	-1	0	294.351	0.823	20	30		CCEDRM
C#CC[C@H](NC(=O)C12CCC(OC)(CC1)CC2=O)C(=O)[O-]	ZINC001588398120	983411132	/nfs/dbraw/zinc/41/11/32/983411132.db2.gz	DDLIXWMOMCOSHG-ISAOAKOHSA-N	-1	0	293.319	0.498	20	30		CCEDRM
C#CC[C@H](NC(=O)[C@@](C)(OC)C(=O)OC(C)(C)C)C(=O)[O-]	ZINC001588398198	983411342	/nfs/dbraw/zinc/41/13/42/983411342.db2.gz	FNFJLFOQZJFQID-LKFCYVNXSA-N	-1	0	299.323	0.326	20	30		CCEDRM
C#CC[C@@H](NC(=O)C1=C[S@@](=O)CCC1)C(=O)[O-]	ZINC001588399544	983415919	/nfs/dbraw/zinc/41/59/19/983415919.db2.gz	VJEWNPHDPLMFKF-XLFHBGCDSA-N	-1	0	255.295	0.006	20	30		CCEDRM
C#CC[C@H](NC(=O)CCc1ccc(C(N)=O)cc1)C(=O)[O-]	ZINC001588404702	983418785	/nfs/dbraw/zinc/41/87/85/983418785.db2.gz	GUPFGITWTBFALR-LBPRGKRZSA-N	-1	0	288.303	0.311	20	30		CCEDRM
C#CC[C@H](NC(=O)C[C@H](C)CC(=O)OC)C(=O)[O-]	ZINC001588404847	983418866	/nfs/dbraw/zinc/41/88/66/983418866.db2.gz	ATJBTGKFZMMVQF-IUCAKERBSA-N	-1	0	255.270	0.168	20	30		CCEDRM
C#CC[C@H](NC(=O)CCCc1nc(CCC)no1)C(=O)[O-]	ZINC001588406140	983424186	/nfs/dbraw/zinc/42/41/86/983424186.db2.gz	YLINTOPRRNUITL-JTQLQIEISA-N	-1	0	293.323	0.938	20	30		CCEDRM
C#CC[C@H](NC(=O)Cc1cccc(C(=O)[O-])c1)C(=O)OC	ZINC001588408055	983430136	/nfs/dbraw/zinc/43/01/36/983430136.db2.gz	WBQDCRNUYCZTCI-LBPRGKRZSA-N	-1	0	289.287	0.608	20	30		CCEDRM
C#CC[C@@H](NC(=O)Cc1ccccc1C(=O)OC)C(=O)[O-]	ZINC001588408124	983430745	/nfs/dbraw/zinc/43/07/45/983430745.db2.gz	YPCLOXPVJOGUKP-GFCCVEGCSA-N	-1	0	289.287	0.608	20	30		CCEDRM
C#CC[C@@H](NC(=O)c1cccn(C(C)(C)C)c1=O)C(=O)[O-]	ZINC001588416162	983436380	/nfs/dbraw/zinc/43/63/80/983436380.db2.gz	JTOLMKRIARSDIV-LLVKDONJSA-N	-1	0	290.319	0.810	20	30		CCEDRM
C#CC[C@@H](NS(=O)(=O)CC1(C)CCC1)C(=O)[O-]	ZINC001588424571	983455862	/nfs/dbraw/zinc/45/58/62/983455862.db2.gz	XFATZYWPFKAAQC-SECBINFHSA-N	-1	0	259.327	0.573	20	30		CCEDRM
C#CC[C@@H]1CCCN(C(=O)C(=O)N2CC[C@H](C(=O)[O-])C2)C1	ZINC001588431992	983466803	/nfs/dbraw/zinc/46/68/03/983466803.db2.gz	UNNKBDRUXIJRBS-NEPJUHHUSA-N	-1	0	292.335	0.181	20	30		CCEDRM
C#CCCNS(=O)(=O)c1cc(F)cc(C(=O)[O-])c1F	ZINC001588453771	983477325	/nfs/dbraw/zinc/47/73/25/983477325.db2.gz	SFQATMFYZJGYEW-UHFFFAOYSA-N	-1	0	289.259	0.965	20	30		CCEDRM
C#CCCS(=O)(=O)N[C@H](C[C@H]1CCCOC1)C(=O)[O-]	ZINC001588458293	983483277	/nfs/dbraw/zinc/48/32/77/983483277.db2.gz	MGKFWFJRJADLAA-GHMZBOCLSA-N	-1	0	289.353	0.199	20	30		CCEDRM
C#CCN(C(=O)NC[C@H]1CCO[C@H]1C(=O)[O-])C1CC1	ZINC001588460219	983487131	/nfs/dbraw/zinc/48/71/31/983487131.db2.gz	VEOCDGHVFFKGRR-MWLCHTKSSA-N	-1	0	266.297	0.283	20	30		CCEDRM
C#CCN(CC#CC)C(=O)[C@H]1C[C@@H](C)[C@H](C(=O)[O-])O1	ZINC001588464819	983494639	/nfs/dbraw/zinc/49/46/39/983494639.db2.gz	NDFWOCHDQHMMAR-IJLUTSLNSA-N	-1	0	263.293	0.350	20	30		CCEDRM
C#CCN1CCC[C@H](NC(=O)CCCC(=O)[O-])C1	ZINC001588475697	983508994	/nfs/dbraw/zinc/50/89/94/983508994.db2.gz	GIERJNPQFRUSTI-NSHDSACASA-N	-1	0	252.314	0.455	20	30		CCEDRM
C#CCNCC(=O)Nc1ccc(OCCC(=O)[O-])cc1	ZINC001588485194	983524365	/nfs/dbraw/zinc/52/43/65/983524365.db2.gz	HKJMDBBNFGIGAY-UHFFFAOYSA-N	-1	0	276.292	0.701	20	30		CCEDRM
C#CCOCCC(=O)NCc1ccc(CC(=O)[O-])cc1	ZINC001588489670	983528513	/nfs/dbraw/zinc/52/85/13/983528513.db2.gz	IZJUEKHDBLTJNZ-UHFFFAOYSA-N	-1	0	275.304	0.970	20	30		CCEDRM
C#CCO[C@H](C)C(=O)N(C)[C@@H](COC(C)C)C(=O)[O-]	ZINC001588490040	983530515	/nfs/dbraw/zinc/53/05/15/983530515.db2.gz	FXBYKLZSXXTVQK-MNOVXSKESA-N	-1	0	271.313	0.361	20	30		CCEDRM
C#CCO[C@@H](C)C(=O)OCC(=O)c1ccc(C(=O)[O-])o1	ZINC001588490679	983533669	/nfs/dbraw/zinc/53/36/69/983533669.db2.gz	VCUAFNSOMOXZIE-QMMMGPOBSA-N	-1	0	280.232	0.742	20	30		CCEDRM
C#CCO[C@@H](C)C(=O)NCc1ocnc1C(=O)[O-]	ZINC001588490803	983534101	/nfs/dbraw/zinc/53/41/01/983534101.db2.gz	YSFKHGULHXJQJB-ZETCQYMHSA-N	-1	0	252.226	0.027	20	30		CCEDRM
C#CCSCCN1C(=O)N[C@H](CCC(=O)[O-])C1=O	ZINC001588506152	983550864	/nfs/dbraw/zinc/55/08/64/983550864.db2.gz	HDSRTSKYDVKUKM-MRVPVSSYSA-N	-1	0	270.310	0.138	20	30		CCEDRM
C#CCSCC(=O)O[C@H]1CCCN(CCC(=O)[O-])C1=O	ZINC001588506290	983551179	/nfs/dbraw/zinc/55/11/79/983551179.db2.gz	OMZHVVPXTQGPLG-JTQLQIEISA-N	-1	0	299.348	0.362	20	30		CCEDRM
C#Cc1ccc(C(=O)N[C@]2(CC(=O)[O-])CCCOC2)cn1	ZINC001588511284	983559176	/nfs/dbraw/zinc/55/91/76/983559176.db2.gz	UNGCETOCJJQKDX-HNNXBMFYSA-N	-1	0	288.303	0.817	20	30		CCEDRM
C#Cc1ccc(C(=O)NC[C@@H](C(=O)[O-])[C@@H]2CCOC2)cn1	ZINC001588511416	983559491	/nfs/dbraw/zinc/55/94/91/983559491.db2.gz	UNNWIQSHCLMBBW-DGCLKSJQSA-N	-1	0	288.303	0.530	20	30		CCEDRM
C#Cc1ccc(S(=O)(=O)N[C@H](C(=O)[O-])C2CC2)cc1	ZINC001588518175	983568631	/nfs/dbraw/zinc/56/86/31/983568631.db2.gz	TXSRTHUNHQAKFL-LBPRGKRZSA-N	-1	0	279.317	0.809	20	30		CCEDRM
C=C(C)[C@H](CC(=O)NC[C@]1(C(=O)[O-])CCOC1)OCC	ZINC001588529763	983582110	/nfs/dbraw/zinc/58/21/10/983582110.db2.gz	FNNAGCVBHDFICQ-SMDDNHRTSA-N	-1	0	285.340	0.965	20	30		CCEDRM
C=C(C)C(C)(C)C(=O)NCCCNC(=O)[C@@H]1C[C@@H]1C(=O)[O-]	ZINC001588530003	983583156	/nfs/dbraw/zinc/58/31/56/983583156.db2.gz	OULKGNXLJLTWDN-MNOVXSKESA-N	-1	0	296.367	0.932	20	30		CCEDRM
C=C(C)C[C@H](CO)NC(=O)c1ccc(C(=O)[O-])n1C	ZINC001588536445	983593972	/nfs/dbraw/zinc/59/39/72/983593972.db2.gz	BKJXAQRQIABGMH-SECBINFHSA-N	-1	0	266.297	0.780	20	30		CCEDRM
C=C(C)C[C@H](CO)NC(=O)[C@H]1CC[C@@H](CCC(=O)[O-])O1	ZINC001588537032	983597031	/nfs/dbraw/zinc/59/70/31/983597031.db2.gz	HPNXJFZJRLLSOG-GRYCIOLGSA-N	-1	0	285.340	0.842	20	30		CCEDRM
C=C(C)C[C@H](CO)NS(=O)(=O)CCCC(=O)[O-]	ZINC001588537274	983599012	/nfs/dbraw/zinc/59/90/12/983599012.db2.gz	KZMMWWYXMAPHDY-SECBINFHSA-N	-1	0	265.331	0.098	20	30		CCEDRM
C=C(C)C[C@@H](NC(=O)CN1CCCCC(=O)C1=O)C(=O)[O-]	ZINC001588542795	983609567	/nfs/dbraw/zinc/60/95/67/983609567.db2.gz	RKFFOCGUGZZWGY-SNVBAGLBSA-N	-1	0	296.323	0.104	20	30		CCEDRM
C=C(C)C[C@@H](NC(=O)[C@@H]1CC[C@H](C(=O)[O-])O1)C(=O)OC	ZINC001588543631	983612047	/nfs/dbraw/zinc/61/20/47/983612047.db2.gz	LRENDDVPZPHVOO-KXUCPTDWSA-N	-1	0	285.296	0.243	20	30		CCEDRM
C=C(C)C[C@@H](NC(=O)c1cnn2ncccc12)C(=O)[O-]	ZINC001588548231	983623549	/nfs/dbraw/zinc/62/35/49/983623549.db2.gz	ONELZPCIDMTBJK-SNVBAGLBSA-N	-1	0	274.280	0.879	20	30		CCEDRM
C=C(C)C[C@H](NC(=O)c1cccc(C(=O)NC)n1)C(=O)[O-]	ZINC001588548633	983624905	/nfs/dbraw/zinc/62/49/05/983624905.db2.gz	RWQKNBLEJJYGQF-NSHDSACASA-N	-1	0	291.307	0.590	20	30		CCEDRM
C=C(C)C[C@H](NC(C)=O)C(=O)N1CC[C@@H](C(=O)[O-])[C@@H]1C	ZINC001588548967	983625972	/nfs/dbraw/zinc/62/59/72/983625972.db2.gz	ZXXIGCPLZFJZIB-WCQGTBRESA-N	-1	0	282.340	0.779	20	30		CCEDRM
C=C(C)C[C@H](NS(=O)(=O)c1ccnn1CC)C(=O)[O-]	ZINC001588555245	983633789	/nfs/dbraw/zinc/63/37/89/983633789.db2.gz	BZYYPGZNOJKBTE-VIFPVBQESA-N	-1	0	287.341	0.601	20	30		CCEDRM
C=C(C)CN(C)C(=O)C(=O)N1C[C@@H]2CCC[C@]2(C(=O)[O-])C1	ZINC001588561531	983641855	/nfs/dbraw/zinc/64/18/55/983641855.db2.gz	JHDZQWWIJAVCDO-NHYWBVRUSA-N	-1	0	294.351	0.734	20	30		CCEDRM
C=C(C)CS(=O)(=O)N(CC(F)F)[C@H](C)C(=O)[O-]	ZINC001588576957	983654790	/nfs/dbraw/zinc/65/47/90/983654790.db2.gz	IXODTFFHAWSWAF-SSDOTTSWSA-N	-1	0	271.285	0.933	20	30		CCEDRM
C=C(C)Cn1c(CO)nnc1N1C[C@H](C)O[C@H](C(=O)[O-])C1	ZINC001588598081	983681380	/nfs/dbraw/zinc/68/13/80/983681380.db2.gz	QSYXUQCKDSINNH-UWVGGRQHSA-N	-1	0	296.327	0.025	20	30		CCEDRM
C=C(CCC(=O)[O-])C(=O)N(C)CC(C)(C)S(C)(=O)=O	ZINC001588606780	983698643	/nfs/dbraw/zinc/69/86/43/983698643.db2.gz	JCVQLUHMSHQWQU-UHFFFAOYSA-N	-1	0	291.369	0.689	20	30		CCEDRM
C=C(CCC(=O)[O-])C(=O)N(C)CCOCCOC	ZINC001588607217	983700224	/nfs/dbraw/zinc/70/02/24/983700224.db2.gz	WOVOEHHTQJMGMP-UHFFFAOYSA-N	-1	0	259.302	0.529	20	30		CCEDRM
C=C(CCC(=O)[O-])C(=O)N1[C@H](C)C(=O)N[C@@H](C)[C@H]1C	ZINC001588612712	983703656	/nfs/dbraw/zinc/70/36/56/983703656.db2.gz	WMAFKOPREKALQV-IVZWLZJFSA-N	-1	0	268.313	0.531	20	30		CCEDRM
C=C(CCC(=O)[O-])C(=O)N1CC(c2nc(C)no2)C1	ZINC001588613959	983705951	/nfs/dbraw/zinc/70/59/51/983705951.db2.gz	HZDAMWJNZDILIK-UHFFFAOYSA-N	-1	0	265.269	0.725	20	30		CCEDRM
C=C(CCC(=O)[O-])C(=O)N1CCC(n2ccnn2)CC1	ZINC001588614097	983706516	/nfs/dbraw/zinc/70/65/16/983706516.db2.gz	LVXIZZJMRYCMBS-UHFFFAOYSA-N	-1	0	278.312	0.863	20	30		CCEDRM
C=C(CCC(=O)[O-])C(=O)N1CC(OCCOC)C1	ZINC001588614462	983707550	/nfs/dbraw/zinc/70/75/50/983707550.db2.gz	VZZZDOJNSYGLEA-UHFFFAOYSA-N	-1	0	257.286	0.281	20	30		CCEDRM
C=C(CCC(=O)[O-])C(=O)NC1(C)CN(C(=O)OC)C1	ZINC001588621573	983720098	/nfs/dbraw/zinc/72/00/98/983720098.db2.gz	GXWROAQOPIGWNG-UHFFFAOYSA-N	-1	0	270.285	0.364	20	30		CCEDRM
C=C(CCC(=O)[O-])C(=O)N[C@H]1CCO[C@]2(CCOC2)C1	ZINC001588623256	983727632	/nfs/dbraw/zinc/72/76/32/983727632.db2.gz	NOCFXZABXXSNRS-SMDDNHRTSA-N	-1	0	283.324	0.862	20	30		CCEDRM
C=C(CCC(=O)OC)C(=O)N[C@@]1(CC(=O)[O-])CCCOC1	ZINC001588634208	983752521	/nfs/dbraw/zinc/75/25/21/983752521.db2.gz	YKTUZNRPVUIGQS-CQSZACIVSA-N	-1	0	299.323	0.636	20	30		CCEDRM
C=C(CO)C(=O)NC[C@H](CC1CCCC1)C(=O)[O-]	ZINC001588637169	983759071	/nfs/dbraw/zinc/75/90/71/983759071.db2.gz	JKGSRAFTLFCCEO-NSHDSACASA-N	-1	0	255.314	0.932	20	30		CCEDRM
C=C(CO)C(=O)NCc1cc(C(=O)[O-])c(C)n1C	ZINC001588637355	983759790	/nfs/dbraw/zinc/75/97/90/983759790.db2.gz	MBMIWTYZBYTTAO-UHFFFAOYSA-N	-1	0	252.270	0.196	20	30		CCEDRM
CCN(CCNC(=O)[C@H](C)C#N)c1ccnc(C(=O)[O-])n1	ZINC001596332618	983770815	/nfs/dbraw/zinc/77/08/15/983770815.db2.gz	KKHGTYUWRMKARW-SECBINFHSA-N	-1	0	291.311	0.277	20	30		CCEDRM
C=C[C@@H](C(=O)[O-])N1CCC[C@H](OC(=O)N(C)C)C1	ZINC001588664134	983798954	/nfs/dbraw/zinc/79/89/54/983798954.db2.gz	SYFIGWIAESPUMN-UWVGGRQHSA-N	-1	0	256.302	0.788	20	30		CCEDRM
C=C[C@H](C(=O)[O-])N(CC1CC1)[C@@H](C(N)=O)C1CC1	ZINC001588664326	983799531	/nfs/dbraw/zinc/79/95/31/983799531.db2.gz	POIRZHYROGHAFR-GHMZBOCLSA-N	-1	0	252.314	0.602	20	30		CCEDRM
C=C[C@@H](C(=O)[O-])N1CCO[C@H]([C@@H]2COC(C)(C)O2)C1	ZINC001588669441	983811868	/nfs/dbraw/zinc/81/18/68/983811868.db2.gz	LECCEBWRGLTAFN-DCAQKATOSA-N	-1	0	271.313	0.478	20	30		CCEDRM
C=C[C@@H](C(=O)OC)n1cc(C[C@H](CC)C(=O)[O-])nn1	ZINC001588672594	983826409	/nfs/dbraw/zinc/82/64/09/983826409.db2.gz	WNAAWYIIXZVBBD-WPRPVWTQSA-N	-1	0	267.285	0.832	20	30		CCEDRM
C=CC(C)(C)NC(=O)CN1CCC[C@@H](C(=O)[O-])C1=O	ZINC001588681583	983840955	/nfs/dbraw/zinc/84/09/55/983840955.db2.gz	ZKCVBYCVTZIFRC-SECBINFHSA-N	-1	0	268.313	0.390	20	30		CCEDRM
C=C[C@](C)(O)C(=O)N(CCCOCC)C[C@H](C)C(=O)[O-]	ZINC001588682274	983843089	/nfs/dbraw/zinc/84/30/89/983843089.db2.gz	KWUKNTGPMHPYPV-FZMZJTMJSA-N	-1	0	287.356	0.899	20	30		CCEDRM
C=C[C@](C)(O)C(=O)NC[C@@H](Cc1ccncc1)C(=O)[O-]	ZINC001588683146	983846557	/nfs/dbraw/zinc/84/65/57/983846557.db2.gz	VISYJNPTIUMVBM-RISCZKNCSA-N	-1	0	278.308	0.378	20	30		CCEDRM
C=C[C@](C)(O)CC(=O)N1C[C@H](OC)C[C@]1(C)C(=O)[O-]	ZINC001588683899	983853204	/nfs/dbraw/zinc/85/32/04/983853204.db2.gz	GUQUCLTVGGPAHW-JIMOISOXSA-N	-1	0	271.313	0.404	20	30		CCEDRM
C=C[C@](C)(O)CC(=O)N(CCC(=O)[O-])C[C@@H]1CCCO1	ZINC001588684756	983863304	/nfs/dbraw/zinc/86/33/04/983863304.db2.gz	XQWLPQIQQXVJCD-FZMZJTMJSA-N	-1	0	285.340	0.796	20	30		CCEDRM
C=C[C@](C)(O)CC(=O)N1CC[C@@H](C(=O)[O-])C[C@H]1C(=O)OC	ZINC001588684773	983864321	/nfs/dbraw/zinc/86/43/21/983864321.db2.gz	YAGSPQKOWAGCSS-BFVZDQMLSA-N	-1	0	299.323	0.178	20	30		CCEDRM
C=C[C@@H](COC)NS(=O)(=O)c1ccc(C(=O)[O-])o1	ZINC001588692778	983886281	/nfs/dbraw/zinc/88/62/81/983886281.db2.gz	JRHMGWPXYFFVHF-ZETCQYMHSA-N	-1	0	275.282	0.457	20	30		CCEDRM
C=C[C@H](COC)NC(=O)C(=O)N1CCC[C@](C)(C(=O)[O-])C1	ZINC001588693060	983890004	/nfs/dbraw/zinc/89/00/04/983890004.db2.gz	QCGLKWTZRVAKJX-YGRLFVJLSA-N	-1	0	298.339	0.017	20	30		CCEDRM
C=C[C@H](N[C@H]1CCN(c2cc(C)nn2C)C1=O)C(=O)[O-]	ZINC001588696556	983903153	/nfs/dbraw/zinc/90/31/53/983903153.db2.gz	OWNNVHAAQPRLNS-UWVGGRQHSA-N	-1	0	278.312	0.063	20	30		CCEDRM
C=C[C@H](Nc1cccc(O[C@@H]2CC(=O)N2)c1)C(=O)[O-]	ZINC001588701930	983917150	/nfs/dbraw/zinc/91/71/50/983917150.db2.gz	CZYPOPVNEAZTFP-CMPLNLGQSA-N	-1	0	262.265	0.963	20	30		CCEDRM
C=C[C@@H](Nc1cccc(O[C@@H]2CC(=O)N2)c1)C(=O)[O-]	ZINC001588701933	983917307	/nfs/dbraw/zinc/91/73/07/983917307.db2.gz	CZYPOPVNEAZTFP-ZYHUDNBSSA-N	-1	0	262.265	0.963	20	30		CCEDRM
C=C[C@H](O)C(=O)OCc1noc(CCCC(=O)[O-])n1	ZINC001588706298	983930456	/nfs/dbraw/zinc/93/04/56/983930456.db2.gz	XXHACLSGKMJEGP-ZETCQYMHSA-N	-1	0	270.241	0.067	20	30		CCEDRM
C=C[C@H](OC(=O)c1nnn(C(C)(C)C)n1)C(=O)[O-]	ZINC001588713237	983948149	/nfs/dbraw/zinc/94/81/49/983948149.db2.gz	STLSOBLKPHNXFF-LURJTMIESA-N	-1	0	254.246	0.224	20	30		CCEDRM
C=C[C@H](OC(=O)c1ccc(C(=O)[O-])o1)C(=O)OC	ZINC001588713425	983949216	/nfs/dbraw/zinc/94/92/16/983949216.db2.gz	WIGUPMNLPMORNW-LURJTMIESA-N	-1	0	254.194	0.862	20	30		CCEDRM
C=CC[C@@H](C(=O)[O-])N1CCN(S(=O)(=O)C2CC2)CC1	ZINC001588729633	983992304	/nfs/dbraw/zinc/99/23/04/983992304.db2.gz	MBDQQBNHJCNOEO-NSHDSACASA-N	-1	0	288.369	0.126	20	30		CCEDRM
C=CC[C@@H](C(=O)[O-])N1CCN(CC(F)(F)F)C(=O)C1	ZINC001588730365	983998407	/nfs/dbraw/zinc/99/84/07/983998407.db2.gz	RCJBMCDRBMWESR-QMMMGPOBSA-N	-1	0	280.246	0.722	20	30		CCEDRM
C=CC[C@@H](C(=O)OC)N1CCO[C@H](CC(=O)[O-])C1	ZINC001588731026	984003871	/nfs/dbraw/zinc/00/38/71/984003871.db2.gz	BPZPYBOSRRGBRN-ZJUUUORDSA-N	-1	0	257.286	0.280	20	30		CCEDRM
C=CC[C@H](C)NC(=O)C(=O)Nc1cnn(CC(=O)[O-])c1C	ZINC001588736954	984028061	/nfs/dbraw/zinc/02/80/61/984028061.db2.gz	ZYHOFFWQQKVKQA-QMMMGPOBSA-N	-1	0	294.311	0.295	20	30		CCEDRM
C=CCC(F)(F)C(=O)N[C@]1(CC(=O)[O-])CCOC1	ZINC001588742326	984032096	/nfs/dbraw/zinc/03/20/96/984032096.db2.gz	ATWBBPYPMDSIRU-JTQLQIEISA-N	-1	0	263.240	0.948	20	30		CCEDRM
C=CC[C@@H](OC(=O)CCCC(=O)N(C)C)C(=O)[O-]	ZINC001588754017	984091145	/nfs/dbraw/zinc/09/11/45/984091145.db2.gz	RIHSKWGMXIAUDG-SECBINFHSA-N	-1	0	257.286	0.817	20	30		CCEDRM
C=CC[C@@H](OC(=O)c1ccnc2c1nnn2C)C(=O)[O-]	ZINC001588759626	984112728	/nfs/dbraw/zinc/11/27/28/984112728.db2.gz	XXGBXSYJRIVKNK-MRVPVSSYSA-N	-1	0	276.252	0.549	20	30		CCEDRM
C=CCCC[C@H](NC(=O)CN1CCCNC1=O)C(=O)[O-]	ZINC001588788663	984191707	/nfs/dbraw/zinc/19/17/07/984191707.db2.gz	JLKFTPKONCPODI-JTQLQIEISA-N	-1	0	283.328	0.327	20	30		CCEDRM
C=CCCC[C@H](NC(=O)C[C@@H](C)NC(N)=O)C(=O)[O-]	ZINC001588790258	984205314	/nfs/dbraw/zinc/20/53/14/984205314.db2.gz	UIGJXPNSKDRYSM-BDAKNGLRSA-N	-1	0	271.317	0.359	20	30		CCEDRM
C=CCCCNC(=O)C(=O)N1CCC[C@@](C)(C(=O)[O-])C1	ZINC001588801483	984245439	/nfs/dbraw/zinc/24/54/39/984245439.db2.gz	MKXRFIQGICMYDO-CQSZACIVSA-N	-1	0	282.340	0.782	20	30		CCEDRM
C=CCCCNC(=O)C(=O)N1CC[C@@]2(C(=O)[O-])CCC[C@@H]12	ZINC001588801553	984246460	/nfs/dbraw/zinc/24/64/60/984246460.db2.gz	OAOIWYZYGGQBTN-ABAIWWIYSA-N	-1	0	294.351	0.925	20	30		CCEDRM
C=CCCOCCCCC(=O)N1CC[C@@](O)(C(=O)[O-])C1	ZINC001588810317	984266221	/nfs/dbraw/zinc/26/62/21/984266221.db2.gz	ITEJKWBRORBUTH-AWEZNQCLSA-N	-1	0	285.340	0.797	20	30		CCEDRM
C=CCCON1C(=O)[C@H]2C[C@H](C(=O)[O-])CCN2C1=O	ZINC001588813327	984269214	/nfs/dbraw/zinc/26/92/14/984269214.db2.gz	MPHGMNIASBONIY-RKDXNWHRSA-N	-1	0	268.269	0.622	20	30		CCEDRM
C=CCN1C(=O)C(=O)N(CC2(CC(=O)[O-])CC2)C1=O	ZINC001588832720	984325310	/nfs/dbraw/zinc/32/53/10/984325310.db2.gz	WMKNRSJVVYKAKG-UHFFFAOYSA-N	-1	0	266.253	0.218	20	30		CCEDRM
C=CCNC(=O)C(=O)Nc1cc(C(=O)[O-])ccc1C	ZINC001588838203	984336488	/nfs/dbraw/zinc/33/64/88/984336488.db2.gz	BALFCTSBJWMKCB-UHFFFAOYSA-N	-1	0	262.265	0.934	20	30		CCEDRM
C=CCN1CC[C@H](N(C)[C@@H](C(=O)[O-])c2cccnc2)C1=O	ZINC001588838407	984337399	/nfs/dbraw/zinc/33/73/99/984337399.db2.gz	DKBWMRGSMZUGKT-QWHCGFSZSA-N	-1	0	289.335	0.926	20	30		CCEDRM
C=CCNC(=O)CNC(=O)N[C@H]1C[C@H]2C[C@@H](C(=O)[O-])C[C@H]21	ZINC001588844319	984357471	/nfs/dbraw/zinc/35/74/71/984357471.db2.gz	GZMJGBGGLVFIPR-DBIOUOCHSA-N	-1	0	295.339	0.087	20	30		CCEDRM
C=CCO[C@H]1CCN(C(=O)Nc2ccc(C(=O)[O-])nn2)C1	ZINC001588849790	984374991	/nfs/dbraw/zinc/37/49/91/984374991.db2.gz	JPAXOHREERJBEX-VIFPVBQESA-N	-1	0	292.295	0.984	20	30		CCEDRM
C=CCOC[C@@H](NC(=O)[C@@H]1CC(=O)N(CCC)C1)C(=O)[O-]	ZINC001588855251	984391878	/nfs/dbraw/zinc/39/18/78/984391878.db2.gz	FAEDWTVQBXAKNM-GHMZBOCLSA-N	-1	0	298.339	0.017	20	30		CCEDRM
C=CCOC[C@@H](NC(=O)N(C)C1CCOCC1)C(=O)[O-]	ZINC001588857462	984403595	/nfs/dbraw/zinc/40/35/95/984403595.db2.gz	ZJLZCLQIUYHZGR-LLVKDONJSA-N	-1	0	286.328	0.463	20	30		CCEDRM
C=CCOC[C@@H](NC(=O)c1cc(N)ccn1)C(=O)[O-]	ZINC001588859714	984407584	/nfs/dbraw/zinc/40/75/84/984407584.db2.gz	USDGIIXDCNHQJY-SNVBAGLBSA-N	-1	0	265.269	0.049	20	30		CCEDRM
C=CCOC[C@@H](NC(=O)c1cccc(C#N)n1)C(=O)[O-]	ZINC001588861321	984415085	/nfs/dbraw/zinc/41/50/85/984415085.db2.gz	FCNYHYYCFKFUIP-LLVKDONJSA-N	-1	0	275.264	0.339	20	30		CCEDRM
C=CCOC[C@@H](NCc1ccoc1C(=O)[O-])C(=O)OC	ZINC001588866170	984422822	/nfs/dbraw/zinc/42/28/22/984422822.db2.gz	IXDOYGDHAARFSL-SNVBAGLBSA-N	-1	0	283.280	0.812	20	30		CCEDRM
C=CCn1c([C@@H](O)C=C)nnc1N1CC[C@@](F)(C(=O)[O-])C1	ZINC001588897426	984510563	/nfs/dbraw/zinc/51/05/63/984510563.db2.gz	ZAXPDZROYJRSNB-ZANVPECISA-N	-1	0	296.302	0.687	20	30		CCEDRM
C=C[C@@H]1OCC[C@H]1C(=O)O[C@H](C)c1cn(CC(=O)[O-])nn1	ZINC001588916626	984562404	/nfs/dbraw/zinc/56/24/04/984562404.db2.gz	VXQNPYRCVDATHS-KKZNHRDASA-N	-1	0	295.295	0.558	20	30		CCEDRM
C=C[C@@H]1OCC[C@H]1C(=O)N1CC[C@@](F)(C(=O)[O-])C1	ZINC001588916997	984564735	/nfs/dbraw/zinc/56/47/35/984564735.db2.gz	KJNXCIPGGQMQKB-PTRXPTGYSA-N	-1	0	257.261	0.603	20	30		CCEDRM
C=C[C@H](CO)NC(=O)c1c(C)coc1CC(=O)[O-]	ZINC001588919289	984571184	/nfs/dbraw/zinc/57/11/84/984571184.db2.gz	GJNOHJHVJYAAFL-MRVPVSSYSA-N	-1	0	253.254	0.492	20	30		CCEDRM
C=C[C@@H]1OCC[C@H]1NC(=O)c1ccc(C(=O)[O-])[nH]1	ZINC001588919944	984575189	/nfs/dbraw/zinc/57/51/89/984575189.db2.gz	PQMLVJGZHRQIMO-XCBNKYQSSA-N	-1	0	250.254	0.786	20	30		CCEDRM
CC#CCCCC(=O)NC1CN(C(=O)[C@H]2C[C@H]2C(=O)[O-])C1	ZINC001588924762	984583306	/nfs/dbraw/zinc/58/33/06/984583306.db2.gz	DPFGRQOWCSIPBX-NWDGAFQWSA-N	-1	0	292.335	0.228	20	30		CCEDRM
CC#CCCCC(=O)N[C@H](CC(=O)[O-])C(=O)OC	ZINC001588924911	984584395	/nfs/dbraw/zinc/58/43/95/984584395.db2.gz	IBAHWBFHYUKXGA-SECBINFHSA-N	-1	0	255.270	0.313	20	30		CCEDRM
CC#CCCCC(=O)N(C)CCNC(=O)[C@H]1C[C@@H]1C(=O)[O-]	ZINC001588925522	984587465	/nfs/dbraw/zinc/58/74/65/984587465.db2.gz	SAULILZHYUMPHK-RYUDHWBXSA-N	-1	0	294.351	0.475	20	30		CCEDRM
CC#CC[C@H](CO)NC(=O)NC/C=C(/C)C(=O)[O-]	ZINC001588926464	984594582	/nfs/dbraw/zinc/59/45/82/984594582.db2.gz	YZNCFAVWQOKLGI-ABRRARGCSA-N	-1	0	254.286	0.091	20	30		CCEDRM
CC#CCCOC(=O)CN1CCC[C@@H](C(=O)[O-])C1=O	ZINC001588931045	984601345	/nfs/dbraw/zinc/60/13/45/984601345.db2.gz	JUYNRQAJIRCKOM-SNVBAGLBSA-N	-1	0	267.281	0.266	20	30		CCEDRM
CC(=O)N[C@@H](CSC[C@H](O)CC1(C#N)CC1)C(=O)[O-]	ZINC001589157068	985488623	/nfs/dbraw/zinc/48/86/23/985488623.db2.gz	HCWZWDMGXUNEIY-ZJUUUORDSA-N	-1	0	286.353	0.364	20	30		CCEDRM
CCOCCO[C@@H](C)C(=O)N1CCC(C#N)(C(=O)[O-])CC1	ZINC001596931998	986028819	/nfs/dbraw/zinc/02/88/19/986028819.db2.gz	LASAQGNEDVCEHP-NSHDSACASA-N	-1	0	298.339	0.645	20	30		CCEDRM
C[C@@H]1CN(CCN(CC#N)CC(=O)[O-])C[C@H](C)O1	ZINC001594526787	986061423	/nfs/dbraw/zinc/06/14/23/986061423.db2.gz	DNXLCGYMNNWSSQ-PHIMTYICSA-N	-1	0	255.318	0.006	20	30		CCEDRM
C[C@@](C#N)(NC(=O)CN1CCC(CC(=O)[O-])CC1)C1CC1	ZINC001589323716	986149006	/nfs/dbraw/zinc/14/90/06/986149006.db2.gz	KTBSVCDRRKMWSM-HNNXBMFYSA-N	-1	0	293.367	0.982	20	30		CCEDRM
CCON(CC)C(=O)CNc1ccc(C(=O)[O-])nc1C#N	ZINC001596963406	986158998	/nfs/dbraw/zinc/15/89/98/986158998.db2.gz	IBZMKPVOSUQXDB-UHFFFAOYSA-N	-1	0	292.295	0.863	20	30		CCEDRM
C[C@H]1CN(c2ccc(C(=O)[O-])nc2C#N)CC(=O)N1C	ZINC001594568133	986367718	/nfs/dbraw/zinc/36/77/18/986367718.db2.gz	JTYCKZOKSHCMIO-QMMMGPOBSA-N	-1	0	274.280	0.318	20	30		CCEDRM
C[C@H]1CN(c2ccc(C(=O)[O-])nn2)C[C@H](C)N1CC#N	ZINC001594568141	986368250	/nfs/dbraw/zinc/36/82/50/986368250.db2.gz	JUKOPMPTVVLXOM-UWVGGRQHSA-N	-1	0	275.312	0.597	20	30		CCEDRM
C[C@H](C(=O)[O-])c1cccc(NC(=O)Cn2cnc(C#N)n2)c1	ZINC001589532439	987213994	/nfs/dbraw/zinc/21/39/94/987213994.db2.gz	DNBDYIMGXHRPCS-VIFPVBQESA-N	-1	0	299.290	0.977	20	30		CCEDRM
CC(C)(C#N)CC(=O)N1CCO[C@@H](CC(=O)[O-])C1	ZINC001589553674	987292455	/nfs/dbraw/zinc/29/24/55/987292455.db2.gz	GBDVEVFSXFAQMU-VIFPVBQESA-N	-1	0	254.286	0.628	20	30		CCEDRM
CC(C)(C#N)C(=O)OCC(=O)NC1(C(=O)[O-])CCCCC1	ZINC001589554187	987298684	/nfs/dbraw/zinc/29/86/84/987298684.db2.gz	XECJVTGXLHLADZ-UHFFFAOYSA-N	-1	0	296.323	0.983	20	30		CCEDRM
CC(C)(C)[C@@H](C#N)NC(=O)CN1CCC[C@H](C(=O)[O-])C1=O	ZINC001589699659	987786852	/nfs/dbraw/zinc/78/68/52/987786852.db2.gz	OZOHZLXZBHPIRO-VHSXEESVSA-N	-1	0	295.339	0.364	20	30		CCEDRM
CC(C)(C)[C@H](C#N)OC(=O)CN1CCC[C@@H](C(=O)[O-])C1=O	ZINC001589700545	987792623	/nfs/dbraw/zinc/79/26/23/987792623.db2.gz	ZCJHSNUJAFMBGQ-ZJUUUORDSA-N	-1	0	296.323	0.791	20	30		CCEDRM
CC(C)(C)[C@H](C#N)OC(=O)CN1CCC[C@H](C(=O)[O-])C1=O	ZINC001589700543	987792723	/nfs/dbraw/zinc/79/27/23/987792723.db2.gz	ZCJHSNUJAFMBGQ-UWVGGRQHSA-N	-1	0	296.323	0.791	20	30		CCEDRM
CCc1nnc(C)cc1C(=O)N(CC#N)CCC(=O)[O-]	ZINC001597729507	989038796	/nfs/dbraw/zinc/03/87/96/989038796.db2.gz	HOJRDFLRVPUPAJ-UHFFFAOYSA-N	-1	0	276.296	0.788	20	30		CCEDRM
C[C@@H]1CN(c2nnc([C@@H]3C[C@H]3C#N)n2C)C[C@H]1CC(=O)[O-]	ZINC001599870560	989343125	/nfs/dbraw/zinc/34/31/25/989343125.db2.gz	UVDRYGQMTKWIAK-LMLFDSFASA-N	-1	0	289.339	0.989	20	30		CCEDRM
C[C@@H]1C[C@H](C(=O)N[C@H](CC#N)C(F)(F)F)O[C@H]1C(=O)[O-]	ZINC001599873349	989383493	/nfs/dbraw/zinc/38/34/93/989383493.db2.gz	BDXMDOLOYRGILV-WCTZXXKLSA-N	-1	0	294.229	0.825	20	30		CCEDRM
CCn1cc(C#N)c(=O)n(CC2(C(=O)[O-])CCCC2)c1=O	ZINC001597870105	989671729	/nfs/dbraw/zinc/67/17/29/989671729.db2.gz	BXAROOYWZURNMT-UHFFFAOYSA-N	-1	0	291.307	0.547	20	30		CCEDRM
CCn1ncc(C(=O)N(CC#N)CC(=O)[O-])c1C	ZINC001597951158	989950071	/nfs/dbraw/zinc/95/00/71/989950071.db2.gz	YKSUVWZQZFWZFR-UHFFFAOYSA-N	-1	0	250.258	0.262	20	30		CCEDRM
CC(C)(C)n1cnc(C(=O)N(CC#N)CC(=O)[O-])n1	ZINC001590599738	990255152	/nfs/dbraw/zinc/25/51/52/990255152.db2.gz	LWADDHBRLHUEDA-UHFFFAOYSA-N	-1	0	265.273	0.083	20	30		CCEDRM
CC(C)(CC#N)CNC(=O)c1cnc(C(=O)[O-])cn1	ZINC001590615332	990289446	/nfs/dbraw/zinc/28/94/46/990289446.db2.gz	SCQJHHCIMKTYJW-UHFFFAOYSA-N	-1	0	262.269	0.844	20	30		CCEDRM
CC(C)(CC#N)CN1C(=O)N[C@H]([C@@H]2C[C@H]2C(=O)[O-])C1=O	ZINC001590615567	990290972	/nfs/dbraw/zinc/29/09/72/990290972.db2.gz	XWPBEGZQDHXCQM-IWSPIJDZSA-N	-1	0	279.296	0.567	20	30		CCEDRM
CC(C)(CC#N)CS(=O)(=O)NCC(C)(C)C(=O)[O-]	ZINC001590616831	990294255	/nfs/dbraw/zinc/29/42/55/990294255.db2.gz	OUGVCISJUYKHLX-UHFFFAOYSA-N	-1	0	276.358	0.956	20	30		CCEDRM
CN(C)C[C@@](C)(C#N)NC(=O)/C=C/c1cc(C(=O)[O-])co1	ZINC001598199985	990810890	/nfs/dbraw/zinc/81/08/90/990810890.db2.gz	VPDUGBDFQVQBES-ISZGNANSSA-N	-1	0	291.307	0.951	20	30		CCEDRM
CC(C)[C@@](C)(C#N)NC(=O)CN1C[C@@H](C)O[C@H](C(=O)[O-])C1	ZINC001590960412	991051662	/nfs/dbraw/zinc/05/16/62/991051662.db2.gz	DGGIGXLRLZMRIP-UHIISALHSA-N	-1	0	297.355	0.215	20	30		CCEDRM
COc1nscc1Cn1cc(C(=O)[O-])cc(C#N)c1=O	ZINC001599743977	991902793	/nfs/dbraw/zinc/90/27/93/991902793.db2.gz	VVQWTDRCJBIQEC-UHFFFAOYSA-N	-1	0	291.288	0.932	20	30		CCEDRM
CC(C)C[C@H](NC(=O)Cn1cccc(C#N)c1=O)C(=O)[O-]	ZINC001591178937	991979300	/nfs/dbraw/zinc/97/93/00/991979300.db2.gz	YOZPUEVAFRLBGR-NSHDSACASA-N	-1	0	291.307	0.335	20	30		CCEDRM
CN(CCc1cn(CC(=O)[O-])nn1)[C@@H]1CCC[C@@H]1C#N	ZINC001598502922	992458870	/nfs/dbraw/zinc/45/88/70/992458870.db2.gz	SJKDTMHDKJKEAL-ZYHUDNBSSA-N	-1	0	277.328	0.529	20	30		CCEDRM
CC(C)C[C@H](NC(=O)CNc1cnc(C#N)cn1)C(=O)[O-]	ZINC001591462999	992576398	/nfs/dbraw/zinc/57/63/98/992576398.db2.gz	UUBRAPUKVNFQOW-JTQLQIEISA-N	-1	0	291.311	0.376	20	30		CCEDRM
CN(Cn1nc(C(=O)[O-])ccc1=O)[C@H]1CCC[C@@H]1C#N	ZINC001598540912	992899523	/nfs/dbraw/zinc/89/95/23/992899523.db2.gz	FZWOVXMEFOLXBD-KOLCDFICSA-N	-1	0	276.296	0.523	20	30		CCEDRM
C[C@](O)(C(=O)N(CC#N)CCC(=O)[O-])C1CCC1	ZINC001593374962	995076184	/nfs/dbraw/zinc/07/61/84/995076184.db2.gz	XBBAXAZZCUJLMN-GFCCVEGCSA-N	-1	0	254.286	0.364	20	30		CCEDRM
C[C@](O)(CN1CCO[C@@H](c2ccc(C#N)cc2)C1)C(=O)[O-]	ZINC001593396211	995138147	/nfs/dbraw/zinc/13/81/47/995138147.db2.gz	IYENNQTYCKCRPJ-HIFRSBDPSA-N	-1	0	290.319	0.767	20	30		CCEDRM
COC(=O)[C@H](CCC(=O)[O-])N1CCO[C@](C)(C#N)C1	ZINC001598696813	995153491	/nfs/dbraw/zinc/15/34/91/995153491.db2.gz	BSVDVWDDNKUTMW-JOYOIKCWSA-N	-1	0	270.285	0.007	20	30		CCEDRM
C[C@@H](OC[C@@H]1CCCCO1)C(=O)N(CC#N)CCC(=O)[O-]	ZINC001593606480	995784833	/nfs/dbraw/zinc/78/48/33/995784833.db2.gz	QNVNPLWVETXCOK-NEPJUHHUSA-N	-1	0	298.339	0.787	20	30		CCEDRM
COC(=O)[C@@H]1CC[C@H](C(=O)[O-])CN1C(=O)CC1(C#N)CC1	ZINC001598764195	995811064	/nfs/dbraw/zinc/81/10/64/995811064.db2.gz	YPHUXSSGHJFUDR-UWVGGRQHSA-N	-1	0	294.307	0.545	20	30		CCEDRM
COC(=O)[C@@H]1CC[C@@H](C(=O)[O-])N(C(=O)CCCC#N)C1	ZINC001598772160	995893113	/nfs/dbraw/zinc/89/31/13/995893113.db2.gz	FMBCAHNLAFTBOV-ZJUUUORDSA-N	-1	0	282.296	0.545	20	30		CCEDRM
COC(=O)[C@H]1CC[C@H](C(=O)[O-])N(Cc2ccc(C#N)o2)C1	ZINC001598775813	995928856	/nfs/dbraw/zinc/92/88/56/995928856.db2.gz	JDKVGGFFCHKJAQ-JOYOIKCWSA-N	-1	0	292.291	0.989	20	30		CCEDRM
C[C@@]1(C#N)CCN(CCc2cn(CC(=O)[O-])nn2)C1	ZINC001593743194	996366017	/nfs/dbraw/zinc/36/60/17/996366017.db2.gz	QTMHSBOYQZIGJF-LBPRGKRZSA-N	-1	0	263.301	0.141	20	30		CCEDRM
COC(=O)[C@@H]1CN(c2ccncc2C#N)C[C@@H]1C(=O)[O-]	ZINC001598825243	996374796	/nfs/dbraw/zinc/37/47/96/996374796.db2.gz	CJFGXTOJVMCQQL-VHSXEESVSA-N	-1	0	275.264	0.263	20	30		CCEDRM
COC(=O)[C@H]1CN(c2ncccc2C#N)C[C@H]1C(=O)[O-]	ZINC001598825795	996381183	/nfs/dbraw/zinc/38/11/83/996381183.db2.gz	FAGPNHBJMNXNAK-ZJUUUORDSA-N	-1	0	275.264	0.263	20	30		CCEDRM
COC(=O)CC[C@@H](NC(=O)c1csc(C#N)c1)C(=O)[O-]	ZINC001598857542	996650428	/nfs/dbraw/zinc/65/04/28/996650428.db2.gz	ZFVWBNQHGSSRLV-SECBINFHSA-N	-1	0	296.304	0.756	20	30		CCEDRM
COC(=O)CN(CC#N)C(=O)c1c(C)coc1CC(=O)[O-]	ZINC001598861153	996675739	/nfs/dbraw/zinc/67/57/39/996675739.db2.gz	PWWHNYYZGRHTTM-UHFFFAOYSA-N	-1	0	294.263	0.354	20	30		CCEDRM
CC1(C)CCCN(CN2C[C@@H](C(=O)[O-])CC2=O)[C@@H]1C#N	ZINC001593910493	996793651	/nfs/dbraw/zinc/79/36/51/996793651.db2.gz	VRJPKAFTIZFECW-WDEREUQCSA-N	-1	0	279.340	0.891	20	30		CCEDRM
COC[C@@H](NS(=O)(=O)c1ccccc1CC#N)C(=O)[O-]	ZINC001599177888	996886719	/nfs/dbraw/zinc/88/67/19/996886719.db2.gz	IDGUVMBNTIRVMP-SNVBAGLBSA-N	-1	0	298.320	0.131	20	30		CCEDRM
COC[C@@H](OC(=O)c1ccc(C#N)c(OC)c1)C(=O)[O-]	ZINC001599185744	997021975	/nfs/dbraw/zinc/02/19/75/997021975.db2.gz	WMCGBHKHXBXVJW-LLVKDONJSA-N	-1	0	279.248	0.823	20	30		CCEDRM
COCC[C@@H](NC(=O)c1cc(C#N)oc1C)C(=O)[O-]	ZINC001599215335	997571876	/nfs/dbraw/zinc/57/18/76/997571876.db2.gz	SQYHOCCMGKKJLT-SNVBAGLBSA-N	-1	0	266.253	0.679	20	30		CCEDRM
CO[C@H]1CCN(C(=O)c2ccc(C#N)o2)[C@H](C(=O)[O-])C1	ZINC001599119414	997711838	/nfs/dbraw/zinc/71/18/38/997711838.db2.gz	CPFAWKAAZWFBCW-WPRPVWTQSA-N	-1	0	278.264	0.855	20	30		CCEDRM
COc1cc(C#N)ccc1OCC(=O)NC[C@H](F)C(=O)[O-]	ZINC001599347397	998032642	/nfs/dbraw/zinc/03/26/42/998032642.db2.gz	FXSKMIUKBTVTQD-VIFPVBQESA-N	-1	0	296.254	0.485	20	30		CCEDRM
COCC#CC(=O)NC[C@@H](Oc1ccc(F)cc1)C(=O)[O-]	ZINC001599138169	998079969	/nfs/dbraw/zinc/07/99/69/998079969.db2.gz	JHWYULQVJTUNSX-GFCCVEGCSA-N	-1	0	295.266	0.424	20	30		CCEDRM
COCC#CC(=O)N1Cc2cc(O)ccc2C[C@H]1C(=O)[O-]	ZINC001599138748	998089989	/nfs/dbraw/zinc/08/99/89/998089989.db2.gz	OUNYAUOXMIOXAR-ZDUSSCGKSA-N	-1	0	289.287	0.380	20	30		CCEDRM
COC[C@@H](C)[C@@H](C)C(=O)N(CC#N)CCC(=O)[O-]	ZINC001599157199	998393096	/nfs/dbraw/zinc/39/30/96/998393096.db2.gz	AUMIELVPFALZFG-NXEZZACHSA-N	-1	0	256.302	0.732	20	30		CCEDRM
COCCc1nc(CN(CC#N)CCC(=O)[O-])no1	ZINC001599264899	998451082	/nfs/dbraw/zinc/45/10/82/998451082.db2.gz	OMEHMXOQBHBVMM-UHFFFAOYSA-N	-1	0	268.273	0.059	20	30		CCEDRM
C[C@H]1[C@@H](C(=O)[O-])CCN1C(=O)c1ccc(C#N)nc1	ZINC001594158223	998584002	/nfs/dbraw/zinc/58/40/02/998584002.db2.gz	FIACCGXFKGDAOT-KWQFWETISA-N	-1	0	259.265	0.888	20	30		CCEDRM
C[C@H]1[C@@H](C(=O)[O-])CCN1C(=O)c1ccc(C#N)n1C	ZINC001594158564	998586127	/nfs/dbraw/zinc/58/61/27/998586127.db2.gz	IXTHTFIPLHPOCC-WPRPVWTQSA-N	-1	0	261.281	0.832	20	30		CCEDRM
C[C@@H]1CC[C@@H]2O[C@@H](C(=O)[O-])C[C@@H]2N1C(=O)[C@@H]1C[C@@H]1C#N	ZINC001594335240	999287727	/nfs/dbraw/zinc/28/77/27/999287727.db2.gz	BGABKMDCMVLDAS-UFVWWTPHSA-N	-1	0	278.308	0.768	20	30		CCEDRM
C[C@H]1CN(C(=O)C23CC(C(=O)[O-])(C2)C3)C[C@H](C)N1CC#N	ZINC001594463239	999677962	/nfs/dbraw/zinc/67/79/62/999677962.db2.gz	UHXHCHCGBAMEOW-WZWWUGBPSA-N	-1	0	291.351	0.686	20	30		CCEDRM
C[C@@H]1C[C@H]1c1cc(=NC(=O)N=c2[n-]n(C)cc2C#N)[nH][nH]1	ZINC000617277175	365588672	/nfs/dbraw/zinc/58/86/72/365588672.db2.gz	ZUSXCZGVMILGOB-VXNVDRBHSA-N	-1	0	285.311	0.626	20	30		CCEDRM
N#Cc1c(F)cccc1N1CCO[C@@H](C(=O)[O-])C1	ZINC000093396161	349541670	/nfs/dbraw/zinc/54/16/70/349541670.db2.gz	BNNXFMYRZQLEIE-LLVKDONJSA-N	-1	0	250.229	0.987	20	30		CCEDRM
N#Cc1ncn(CC(=O)N(CC(=O)[O-])c2ccccc2)n1	ZINC000337738938	214239906	/nfs/dbraw/zinc/23/99/06/214239906.db2.gz	KMINRLVNZBVNOV-UHFFFAOYSA-N	-1	0	285.263	0.268	20	30		CCEDRM
C=CCN(C(=O)CSc1n[nH]c(=O)[n-]1)[C@@H](C)COC	ZINC000617582120	365686872	/nfs/dbraw/zinc/68/68/72/365686872.db2.gz	GZQPBVQHKGXKKS-QMMMGPOBSA-N	-1	0	286.357	0.652	20	30		CCEDRM
N#Cc1c(C2CC2)[n-][nH]c1=NC(=O)c1cc(=O)[nH]cn1	ZINC000600827936	362075118	/nfs/dbraw/zinc/07/51/18/362075118.db2.gz	YLIACBJRDDIXJE-UHFFFAOYSA-N	-1	0	270.252	0.329	20	30		CCEDRM
C=C(C)C[C@@H](NC(=O)c1nn(C)cc1[N+](=O)[O-])C(=O)[O-]	ZINC000600871040	362083860	/nfs/dbraw/zinc/08/38/60/362083860.db2.gz	BOYKMSYNOPOUID-SSDOTTSWSA-N	-1	0	282.256	0.478	20	30		CCEDRM
COc1ccc(CN=c2[n-]nc(CCO)s2)cc1C#N	ZINC000601063682	362142192	/nfs/dbraw/zinc/14/21/92/362142192.db2.gz	HQSBPERSRVMAPG-UHFFFAOYSA-N	-1	0	290.348	0.987	20	30		CCEDRM
N#Cc1c[n-][nH]c1=NC(=O)C1CN(CC(F)(F)F)C1	ZINC000601638711	362336108	/nfs/dbraw/zinc/33/61/08/362336108.db2.gz	JUTFFJJUXUZRFD-UHFFFAOYSA-N	-1	0	273.218	0.136	20	30		CCEDRM
N#Cc1c[n-][nH]c1=NC(=O)[C@@H]1CCc2cncn2C1	ZINC000601638154	362335508	/nfs/dbraw/zinc/33/55/08/362335508.db2.gz	FEKUQSUREBIJTB-MRVPVSSYSA-N	-1	0	256.269	0.101	20	30		CCEDRM
CC(C)CN(C(=O)Cn1cc(C#N)c(=O)[n-]c1=O)C1CC1	ZINC000602051859	362468433	/nfs/dbraw/zinc/46/84/33/362468433.db2.gz	HKSFZGKDRMCQJE-UHFFFAOYSA-N	-1	0	290.323	0.468	20	30		CCEDRM
C[C@H]1CCC[C@H](C)N1C(=O)Cn1cc(C#N)c(=O)[n-]c1=O	ZINC000602090958	362481089	/nfs/dbraw/zinc/48/10/89/362481089.db2.gz	FXYPFLXJYKFEML-UWVGGRQHSA-N	-1	0	290.323	0.610	20	30		CCEDRM
C=CC1CCN(C(=O)Cn2cc(C#N)c(=O)[n-]c2=O)CC1	ZINC000602095314	362483753	/nfs/dbraw/zinc/48/37/53/362483753.db2.gz	AJIYWTNJOLTQEG-UHFFFAOYSA-N	-1	0	288.307	0.245	20	30		CCEDRM
C=CCCCN(C)C(=O)CCn1cc(C#N)c(=O)[n-]c1=O	ZINC000602102964	362489448	/nfs/dbraw/zinc/48/94/48/362489448.db2.gz	MSMASZYWEDMTML-UHFFFAOYSA-N	-1	0	290.323	0.635	20	30		CCEDRM
Cc1n[n-]c(=NC(=O)N2CCO[C@H](C#N)C2)s1	ZINC000408093213	260226947	/nfs/dbraw/zinc/22/69/47/260226947.db2.gz	AIKSWRKYJMXDJA-SSDOTTSWSA-N	-1	0	253.287	0.025	20	30		CCEDRM
Cc1n[n-]c(=NC(=O)N2CCO[C@@H](C#N)C2)s1	ZINC000408093214	260226958	/nfs/dbraw/zinc/22/69/58/260226958.db2.gz	AIKSWRKYJMXDJA-ZETCQYMHSA-N	-1	0	253.287	0.025	20	30		CCEDRM
CC[C@H](C)N(CC(=O)[O-])S(=O)(=O)N(C)C[C@H](C)C#N	ZINC000417425598	264242645	/nfs/dbraw/zinc/24/26/45/264242645.db2.gz	ZBZBLIJKIQRONT-ZJUUUORDSA-N	-1	0	291.373	0.508	20	30		CCEDRM
C[C@@H]1CCN(C(=O)Cn2cc(C#N)c(=O)[n-]c2=O)C[C@H]1F	ZINC000602147078	362523911	/nfs/dbraw/zinc/52/39/11/362523911.db2.gz	YSPDRJZRKXMIDZ-PSASIEDQSA-N	-1	0	294.286	0.027	20	30		CCEDRM
Cn1cc(C#N)c(=NC(=O)c2ccnn2CC2CCC2)[n-]1	ZINC000602283829	362574432	/nfs/dbraw/zinc/57/44/32/362574432.db2.gz	RXQFYYJCCGSREP-UHFFFAOYSA-N	-1	0	284.323	0.963	20	30		CCEDRM
C[C@@]1(C(=O)[O-])CCN(S(=O)(=O)c2ccc(C#N)o2)C1	ZINC000262326033	137038597	/nfs/dbraw/zinc/03/85/97/137038597.db2.gz	UDYZSBYLRPSEHK-LLVKDONJSA-N	-1	0	284.293	0.637	20	30		CCEDRM
CSc1[n-]c(=O)c(C(=O)NC[C@H](C)CO)cc1C#N	ZINC000344145822	137180273	/nfs/dbraw/zinc/18/02/73/137180273.db2.gz	WUVXWYXTOQZTAE-ZETCQYMHSA-N	-1	0	281.337	0.739	20	30		CCEDRM
N#Cc1ccc(S(=O)(=O)NC2(CC(N)=O)CCC2)o1	ZINC000344187402	137182137	/nfs/dbraw/zinc/18/21/37/137182137.db2.gz	GSJMBPVXCHUUCG-UHFFFAOYSA-N	-1	0	283.309	0.228	20	30		CCEDRM
CC(=O)N[C@H](C)C(=O)N=c1[n-]n(C(C)C)cc1C#N	ZINC000345178598	137238218	/nfs/dbraw/zinc/23/82/18/137238218.db2.gz	FMMXWIKASXLSHN-MRVPVSSYSA-N	-1	0	263.301	0.221	20	30		CCEDRM
Cn1cc(C#N)c(=NC(=O)N2C[C@H]3COC[C@]3(C)C2)[n-]1	ZINC000602886104	362865346	/nfs/dbraw/zinc/86/53/46/362865346.db2.gz	JDGCYVPVAFWEQJ-GWCFXTLKSA-N	-1	0	275.312	0.214	20	30		CCEDRM
Cn1cc(C#N)c(=NC(=O)N2CCC[C@](O)(C3CC3)C2)[n-]1	ZINC000602887766	362867330	/nfs/dbraw/zinc/86/73/30/362867330.db2.gz	SDZKLCGLHPAISL-CQSZACIVSA-N	-1	0	289.339	0.482	20	30		CCEDRM
Cn1cc(C#N)c(=NC(=O)N2CCC[C@@]3(CCOC3)C2)[n-]1	ZINC000602879440	362858825	/nfs/dbraw/zinc/85/88/25/362858825.db2.gz	DRWOEUSLXMLFSE-CQSZACIVSA-N	-1	0	289.339	0.748	20	30		CCEDRM
CO[C@@H]1CCN(C(=O)N=c2[n-]n(C)cc2C#N)C[C@@H]1C	ZINC000602880834	362860612	/nfs/dbraw/zinc/86/06/12/362860612.db2.gz	MVWOGEGGRXQBRW-GXSJLCMTSA-N	-1	0	277.328	0.602	20	30		CCEDRM
N#Cc1cccc(S(=O)(=O)N2CCO[C@@H](C(=O)[O-])C2)c1	ZINC000043703068	348313430	/nfs/dbraw/zinc/31/34/30/348313430.db2.gz	SKBAKWOBQROVCD-LLVKDONJSA-N	-1	0	296.304	0.032	20	30		CCEDRM
Cc1cn2cc(C(=O)N=c3[n-]n(C)cc3C#N)sc2n1	ZINC000349360083	137392446	/nfs/dbraw/zinc/39/24/46/137392446.db2.gz	UQVBYTMZYZBCLO-UHFFFAOYSA-N	-1	0	286.320	0.984	20	30		CCEDRM
N#Cc1cccc(C(=O)[N-]S(=O)(=O)[C@H]2CCCOC2)c1	ZINC000408406909	137882195	/nfs/dbraw/zinc/88/21/95/137882195.db2.gz	VKACSMFCQOLNFV-LBPRGKRZSA-N	-1	0	294.332	0.797	20	30		CCEDRM
C=CCCOCC(=O)Nc1ccc(-n2nn[n-]c2=O)cc1	ZINC000684492707	545688143	/nfs/dbraw/zinc/68/81/43/545688143.db2.gz	LYFXXBWMTWRXFT-UHFFFAOYSA-N	-1	0	289.295	0.899	20	30		CCEDRM
C[C@H](CO)SCc1cc(=O)n2[n-]cc(C#N)c2n1	ZINC000172977678	351020080	/nfs/dbraw/zinc/02/00/80/351020080.db2.gz	VHPVXVGVPJTNKK-SSDOTTSWSA-N	-1	0	264.310	0.921	20	30		CCEDRM
CO[C@@H](C)CS(=O)(=O)[N-]c1nn(C)cc1C#N	ZINC000193333666	351823184	/nfs/dbraw/zinc/82/31/84/351823184.db2.gz	NBFRIWOMPOAFBE-ZETCQYMHSA-N	-1	0	258.303	0.068	20	30		CCEDRM
C=CCSCCNC(=O)[C@@H]1CC[C@@H](C(=O)[O-])O1	ZINC000236433822	352195179	/nfs/dbraw/zinc/19/51/79/352195179.db2.gz	KZTFLSVACNSJEG-IUCAKERBSA-N	-1	0	259.327	0.654	20	30		CCEDRM
N#Cc1ccc(C(=O)NCCc2n[n-]c(=N)o2)cc1O	ZINC000355121419	137611570	/nfs/dbraw/zinc/61/15/70/137611570.db2.gz	YCIRSNSGTDYLLW-UHFFFAOYSA-N	-1	0	273.252	0.032	20	30		CCEDRM
Cc1cccc(S(=O)(=O)NC[C@H](C)C(=O)[O-])c1C#N	ZINC000274894163	353170751	/nfs/dbraw/zinc/17/07/51/353170751.db2.gz	GMVKFALUGWYLLT-VIFPVBQESA-N	-1	0	282.321	0.866	20	30		CCEDRM
CC#CC[C@@H](NS(=O)(=O)CCCCC)C(=O)[O-]	ZINC000275055590	353182444	/nfs/dbraw/zinc/18/24/44/353182444.db2.gz	TWNOFVSPHNFGNV-SNVBAGLBSA-N	-1	0	261.343	0.963	20	30		CCEDRM
C=CCCS(=O)(=O)N[C@H](CC(F)F)C(=O)[O-]	ZINC000275263392	353200036	/nfs/dbraw/zinc/20/00/36/353200036.db2.gz	MNLKVWLEVMRTOK-ZCFIWIBFSA-N	-1	0	257.258	0.590	20	30		CCEDRM
C[C@H]1CN(S(=O)(=O)c2ccc(C#N)o2)CC[C@@H]1C(=O)[O-]	ZINC000287426224	353646209	/nfs/dbraw/zinc/64/62/09/353646209.db2.gz	GLFGCDFCKQUPEW-WPRPVWTQSA-N	-1	0	298.320	0.883	20	30		CCEDRM
CCOC[C@@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)[O-]	ZINC000290907040	353757264	/nfs/dbraw/zinc/75/72/64/353757264.db2.gz	FWPUQBDUGHWFBT-LLVKDONJSA-N	-1	0	298.320	0.326	20	30		CCEDRM
N#Cc1ccc2c(c1)CC[C@@H]2NC(=O)c1n[nH]c(=O)[n-]c1=O	ZINC000618892483	366113275	/nfs/dbraw/zinc/11/32/75/366113275.db2.gz	MKBKENQNSNTMSS-JTQLQIEISA-N	-1	0	297.274	0.572	20	30		CCEDRM
N#Cc1cncc(S(=O)(=O)NCCCCC(=O)[O-])c1	ZINC000290639685	353739229	/nfs/dbraw/zinc/73/92/29/353739229.db2.gz	LXHZGISAUPPCNP-UHFFFAOYSA-N	-1	0	283.309	0.486	20	30		CCEDRM
N#Cc1ccc(S(=O)(=O)N[C@@H]2C=C[C@H](C(=O)[O-])C2)o1	ZINC000558473385	291057591	/nfs/dbraw/zinc/05/75/91/291057591.db2.gz	PQPULWAFKOPCDK-JGVFFNPUSA-N	-1	0	282.277	0.459	20	30		CCEDRM
N#Cc1ccccc1OCC(=O)NCCc1n[n-]c(=N)o1	ZINC000348270300	355899436	/nfs/dbraw/zinc/89/94/36/355899436.db2.gz	FIKPBRVNVCQLPP-UHFFFAOYSA-N	-1	0	287.279	0.092	20	30		CCEDRM
C[C@@H](C(=O)NCc1n[n-]c(=N)o1)c1cccc(C#N)c1	ZINC000360667092	138004965	/nfs/dbraw/zinc/00/49/65/138004965.db2.gz	ULRAUKACDLGAQH-MRVPVSSYSA-N	-1	0	271.280	0.774	20	30		CCEDRM
COCc1n[n-]c(S(=O)(=O)Cc2ccc(C#N)cc2)n1	ZINC000353907280	356313172	/nfs/dbraw/zinc/31/31/72/356313172.db2.gz	WQHQWBWWOBDKNV-UHFFFAOYSA-N	-1	0	292.320	0.797	20	30		CCEDRM
COc1ccc(C#N)cc1NC(=O)NCc1n[nH]c(=O)[n-]1	ZINC000354145639	356353482	/nfs/dbraw/zinc/35/34/82/356353482.db2.gz	FGTWDZXDWROBPM-UHFFFAOYSA-N	-1	0	288.267	0.712	20	30		CCEDRM
C=CC[C@H](C)NC(=O)N=c1ccc(C(=O)OC)n[n-]1	ZINC000619627613	366302698	/nfs/dbraw/zinc/30/26/98/366302698.db2.gz	JVTIOMJBWLKURV-QMMMGPOBSA-N	-1	0	264.285	0.771	20	30		CCEDRM
Cn1c(C(=O)Nc2nc(C#N)c(C#N)[n-]2)ccc1[N+](=O)[O-]	ZINC000355049412	356559835	/nfs/dbraw/zinc/55/98/35/356559835.db2.gz	UJVUKZAGSVGHLG-UHFFFAOYSA-N	-1	0	285.223	0.652	20	30		CCEDRM
N#Cc1ccnc(C(=O)N2CCC[C@@H](c3n[nH]c(=O)[n-]3)C2)c1	ZINC000329059179	202172684	/nfs/dbraw/zinc/17/26/84/202172684.db2.gz	JBROOCSVWCTJKD-SNVBAGLBSA-N	-1	0	298.306	0.797	20	30		CCEDRM
Cn1cc(C#N)c(=NC(=O)N[C@H]2CCCC[C@@H]2O)[n-]1	ZINC000610527966	363572404	/nfs/dbraw/zinc/57/24/04/363572404.db2.gz	CJNQSNZEIANCCC-UWVGGRQHSA-N	-1	0	263.301	0.139	20	30		CCEDRM
Cn1cc(C#N)c(=NC(=O)N2CCC[C@@H](n3ccnc3)C2)[n-]1	ZINC000610563141	363577628	/nfs/dbraw/zinc/57/76/28/363577628.db2.gz	TYPQNHNFDBYLJR-GFCCVEGCSA-N	-1	0	299.338	0.779	20	30		CCEDRM
Cn1cc(C#N)c(=NC(=O)N[C@@H]2[C@@H]3CCO[C@@H]3C2(C)C)[n-]1	ZINC000610562231	363575860	/nfs/dbraw/zinc/57/58/60/363575860.db2.gz	LKGYSCGDDGEDKL-AXFHLTTASA-N	-1	0	289.339	0.649	20	30		CCEDRM
COC[C@H](NC(=O)N=c1[n-]n(C)cc1C#N)c1ccco1	ZINC000610561443	363576565	/nfs/dbraw/zinc/57/65/65/363576565.db2.gz	WIQUVWQNVDIHML-JTQLQIEISA-N	-1	0	289.295	0.816	20	30		CCEDRM
Cn1cc(C#N)c(=NC(=O)NCCC(F)(F)F)[n-]1	ZINC000610564704	363579456	/nfs/dbraw/zinc/57/94/56/363579456.db2.gz	UPYZOTSZYYEEGA-UHFFFAOYSA-N	-1	0	261.207	0.788	20	30		CCEDRM
Cc1[n-][nH]c(=NC(=O)[C@@H]2CCc3nccn3C2)c1C#N	ZINC000377253004	357558121	/nfs/dbraw/zinc/55/81/21/357558121.db2.gz	XOFMAZWJCLIDIL-SECBINFHSA-N	-1	0	270.296	0.409	20	30		CCEDRM
COCC(C)(C)NC(=O)N=c1[n-]n(C)cc1C#N	ZINC000610634564	363589359	/nfs/dbraw/zinc/58/93/59/363589359.db2.gz	OTFWNAOVSGTTKP-UHFFFAOYSA-N	-1	0	251.290	0.260	20	30		CCEDRM
C=C(C)[C@@H]1OCC[C@@H]1CNc1ncncc1C(=O)[O-]	ZINC000565661880	358565735	/nfs/dbraw/zinc/56/57/35/358565735.db2.gz	WWGCVHJRGFIXJZ-KOLCDFICSA-N	-1	0	263.297	0.990	20	30		CCEDRM
C=CCOC[C@@H](NC(=O)c1ccccn1)C(=O)[O-]	ZINC000571703023	358925005	/nfs/dbraw/zinc/92/50/05/358925005.db2.gz	VMCRJUMVRSNPKR-SNVBAGLBSA-N	-1	0	250.254	0.467	20	30		CCEDRM
C=CCN(CC=C)C(=O)C(=O)N1CC[C@@H](C)[C@H](C(=O)[O-])C1	ZINC000572158238	358927381	/nfs/dbraw/zinc/92/73/81/358927381.db2.gz	GPCNSPNTBRQEHE-VXGBXAGGSA-N	-1	0	294.351	0.756	20	30		CCEDRM
CCN(C[C@H](C)C#N)S(=O)(=O)N[C@@H](C)CCC(=O)[O-]	ZINC000573971624	359016904	/nfs/dbraw/zinc/01/69/04/359016904.db2.gz	AAVFJWLYRIUHDU-ZJUUUORDSA-N	-1	0	291.373	0.556	20	30		CCEDRM
CC(C)N([C@@H](C)C(=O)[O-])S(=O)(=O)N(C)C[C@@H](C)C#N	ZINC000580837153	359099636	/nfs/dbraw/zinc/09/96/36/359099636.db2.gz	NSCZIHWKVVVBGS-UWVGGRQHSA-N	-1	0	291.373	0.506	20	30		CCEDRM
N#Cc1cccc(C(=O)N=c2cc(C(N)=O)[n-][nH]2)c1	ZINC000610872342	363623734	/nfs/dbraw/zinc/62/37/34/363623734.db2.gz	KNGISZJIKZHHJF-UHFFFAOYSA-N	-1	0	255.237	0.054	20	30		CCEDRM
Cn1cc(C#N)c(=NC(=O)N[C@@H](CO)CC(C)(C)C)[n-]1	ZINC000610949340	363636614	/nfs/dbraw/zinc/63/66/14/363636614.db2.gz	JOAFHYCWDPFFSF-SNVBAGLBSA-N	-1	0	279.344	0.632	20	30		CCEDRM
CC(C)[C@@](C)(CO)NC(=O)N=c1[n-]n(C)cc1C#N	ZINC000589332327	359379026	/nfs/dbraw/zinc/37/90/26/359379026.db2.gz	BOZJEHGTRDQRRE-GFCCVEGCSA-N	-1	0	265.317	0.242	20	30		CCEDRM
COC[C@H](NC(=O)N=c1[n-]n(C)cc1C#N)C1CC1	ZINC000611007111	363648070	/nfs/dbraw/zinc/64/80/70/363648070.db2.gz	JNARZECZEXZZKW-JTQLQIEISA-N	-1	0	263.301	0.260	20	30		CCEDRM
CCOc1nc(C(=O)N=c2[nH][n-]c(C)c2C#N)co1	ZINC000588718332	359333994	/nfs/dbraw/zinc/33/39/94/359333994.db2.gz	QITDUZGWLXOPFF-UHFFFAOYSA-N	-1	0	261.241	0.651	20	30		CCEDRM
N#Cc1ccccc1S(=O)(=O)N1C[C@@H]2C[C@]2(C(=O)[O-])C1	ZINC000589546178	359390459	/nfs/dbraw/zinc/39/04/59/359390459.db2.gz	FBSRYWULGOWISQ-GWCFXTLKSA-N	-1	0	292.316	0.653	20	30		CCEDRM
C[C@@H]1CC[C@H](CNC(=O)N=c2[n-]n(C)cc2C#N)O1	ZINC000590822323	359527157	/nfs/dbraw/zinc/52/71/57/359527157.db2.gz	NRHVVUZTHXKBNQ-PSASIEDQSA-N	-1	0	263.301	0.403	20	30		CCEDRM
CC[C@@H](C)[NH+]1CCN(C(=O)N=c2[n-]n(C)cc2C#N)CC1	ZINC000590819750	359527571	/nfs/dbraw/zinc/52/75/71/359527571.db2.gz	UKSFEFOGHWNRAS-LLVKDONJSA-N	-1	0	290.371	0.662	20	30		CCEDRM
CC[C@@H](CCC(=O)[O-])NS(=O)(=O)c1cncc(C#N)c1	ZINC000296845190	200013951	/nfs/dbraw/zinc/01/39/51/200013951.db2.gz	CCMUTHCMOCVLCF-JTQLQIEISA-N	-1	0	297.336	0.875	20	30		CCEDRM
C[C@@H](CN(C)C(=O)C(=O)N1CCC[C@](C)(C#N)C1)C(=O)[O-]	ZINC000591568474	359600048	/nfs/dbraw/zinc/60/00/48/359600048.db2.gz	HJFSABILOCRHNJ-IINYFYTJSA-N	-1	0	295.339	0.318	20	30		CCEDRM
C=CCCS(=O)(=O)N[C@@H](CC(=O)CC)C(=O)[O-]	ZINC000274929594	192845175	/nfs/dbraw/zinc/84/51/75/192845175.db2.gz	CEBBSRGLDWZONK-VIFPVBQESA-N	-1	0	263.315	0.304	20	30		CCEDRM
Cn1cc(C#N)c(=NC(=O)N[C@H](CO)CC(F)(F)F)[n-]1	ZINC000611141004	363664388	/nfs/dbraw/zinc/66/43/88/363664388.db2.gz	XHANHPNIOVVPHX-ZETCQYMHSA-N	-1	0	291.233	0.148	20	30		CCEDRM
N#Cc1cc(F)c(C(=O)N=c2cc(C(N)=O)[n-][nH]2)c(F)c1	ZINC000611141790	363664441	/nfs/dbraw/zinc/66/44/41/363664441.db2.gz	ZWAOBOXFNDFNTN-UHFFFAOYSA-N	-1	0	291.217	0.333	20	30		CCEDRM
N#Cc1c[n-]c(=O)n(Cc2ccn(C3CCCC3)n2)c1=O	ZINC000592354418	359823034	/nfs/dbraw/zinc/82/30/34/359823034.db2.gz	VLDBJMVUSYWYEN-UHFFFAOYSA-N	-1	0	285.307	0.768	20	30		CCEDRM
CO[C@H](CS(=O)(=O)[N-]c1ncc(C#N)s1)C1CC1	ZINC000592382076	359829034	/nfs/dbraw/zinc/82/90/34/359829034.db2.gz	HOLCDUGDGNHSRT-SECBINFHSA-N	-1	0	287.366	0.603	20	30		CCEDRM
CC[C@@H]1CC[C@H](C(=O)[O-])N1S(=O)(=O)CC1(C#N)CC1	ZINC000592447007	359843237	/nfs/dbraw/zinc/84/32/37/359843237.db2.gz	CBROKFQNNNBJPV-NXEZZACHSA-N	-1	0	286.353	0.948	20	30		CCEDRM
Cc1c(C#N)c(=NC(=O)c2cn(C(C)C)nn2)[n-]n1C	ZINC000592649118	359909162	/nfs/dbraw/zinc/90/91/62/359909162.db2.gz	IOUPHVUBVLMPKB-UHFFFAOYSA-N	-1	0	273.300	0.447	20	30		CCEDRM
C[C@@H]1C[C@H](NC(=O)N=c2[n-]n(C)cc2C#N)CCO1	ZINC000611283188	363700750	/nfs/dbraw/zinc/70/07/50/363700750.db2.gz	LIUXTFNANAVGDR-PSASIEDQSA-N	-1	0	263.301	0.403	20	30		CCEDRM
N#Cc1ccc(C(=O)N2CCC(c3n[nH]c(=O)[n-]3)CC2)cn1	ZINC000592796555	359939276	/nfs/dbraw/zinc/93/92/76/359939276.db2.gz	ZYJONKHQEUDPFE-UHFFFAOYSA-N	-1	0	298.306	0.797	20	30		CCEDRM
CC[C@@H](C(=O)[O-])N(C)S(=O)(=O)N(CC)CCC#N	ZINC000593220731	360052591	/nfs/dbraw/zinc/05/25/91/360052591.db2.gz	UDFMVXGQYLIRLR-VIFPVBQESA-N	-1	0	277.346	0.262	20	30		CCEDRM
C[C@@H](CC#N)N(C)S(=O)(=O)N1[C@@H](C)CC[C@H]1C(=O)[O-]	ZINC000593222737	360052792	/nfs/dbraw/zinc/05/27/92/360052792.db2.gz	UEOSVIQBSWWPIF-GUBZILKMSA-N	-1	0	289.357	0.403	20	30		CCEDRM
CN(CC(=O)[O-])S(=O)(=O)c1ccsc1C#N	ZINC000593263335	360057944	/nfs/dbraw/zinc/05/79/44/360057944.db2.gz	IMEPTQWEXQGTQC-UHFFFAOYSA-N	-1	0	260.296	0.325	20	30		CCEDRM
N#CC1(CS(=O)(=O)NC[C@@H](CC2CC2)C(=O)[O-])CC1	ZINC000593272226	360058652	/nfs/dbraw/zinc/05/86/52/360058652.db2.gz	HBDBJDKHIXJGOJ-SNVBAGLBSA-N	-1	0	286.353	0.710	20	30		CCEDRM
CN=c1[n-]nc(CC(=O)N2Cc3cccc(C#N)c3C2)s1	ZINC000593887793	360194977	/nfs/dbraw/zinc/19/49/77/360194977.db2.gz	CHBVSOYKWHAIFI-UHFFFAOYSA-N	-1	0	299.359	0.958	20	30		CCEDRM
N#CCCCS(=O)(=O)N[C@@H](CCF)C(=O)[O-]	ZINC000594574188	360333031	/nfs/dbraw/zinc/33/30/31/360333031.db2.gz	ZWMOEJVZXUDDHR-ZETCQYMHSA-N	-1	0	252.267	0.022	20	30		CCEDRM
N#Cc1cc([N+](=O)[O-])cnc1N[C@@H]1C[C@H](C(=O)[O-])C[C@@H]1O	ZINC000595978400	360754281	/nfs/dbraw/zinc/75/42/81/360754281.db2.gz	LNWRTRGYGSKKNQ-QUNWWBBNSA-N	-1	0	292.251	0.497	20	30		CCEDRM
CC#CC[C@@H](NS(=O)(=O)c1ccc(OC)cc1)C(=O)[O-]	ZINC000275059926	192897798	/nfs/dbraw/zinc/89/77/98/192897798.db2.gz	UNTLGTYCHMZOKQ-GFCCVEGCSA-N	-1	0	297.332	0.840	20	30		CCEDRM
CNS(=O)(=O)c1cc(NC(=O)[C@H](C)CC#N)ccc1[O-]	ZINC000597628420	361167150	/nfs/dbraw/zinc/16/71/50/361167150.db2.gz	GFJMGGJWVXBQCO-MRVPVSSYSA-N	-1	0	297.336	0.789	20	30		CCEDRM
CN=c1[n-]nc(CC(=O)N([C@@H](C)C#N)C2CC2)s1	ZINC000598134652	361341088	/nfs/dbraw/zinc/34/10/88/361341088.db2.gz	XVDJJQACRVTGJV-ZETCQYMHSA-N	-1	0	265.342	0.447	20	30		CCEDRM
N#Cc1nc(NC(=O)c2cnc3n2CCC3)[n-]c1C#N	ZINC000598661198	361474982	/nfs/dbraw/zinc/47/49/82/361474982.db2.gz	HSENACCWSIYLPK-UHFFFAOYSA-N	-1	0	267.252	0.548	20	30		CCEDRM
CC(C)(C)n1cc(C#N)c(=NC(=O)[C@H]2[C@@H]3COC[C@@H]32)[n-]1	ZINC000598817840	361521799	/nfs/dbraw/zinc/52/17/99/361521799.db2.gz	ZCZVRCMUMUNZLG-URLYPYJESA-N	-1	0	274.324	0.763	20	30		CCEDRM
C[C@H](CC#N)C(=O)Nc1n[nH]nc1C(=O)NC1CC1	ZINC000598846271	361525991	/nfs/dbraw/zinc/52/59/91/361525991.db2.gz	UMPCLZCKYYLZLB-ZCFIWIBFSA-N	-1	0	262.273	0.185	20	30		CCEDRM
CN1C[C@@H](C(=O)N=c2[nH][n-]cc2C#N)c2ccccc2C1=O	ZINC000598911372	361530647	/nfs/dbraw/zinc/53/06/47/361530647.db2.gz	COQMHWPYVMMKRG-GFCCVEGCSA-N	-1	0	295.302	0.511	20	30		CCEDRM
C[C@@H](CC#N)N(C)C(=O)c1ccc([N-]S(C)(=O)=O)nc1	ZINC000599329377	361654055	/nfs/dbraw/zinc/65/40/55/361654055.db2.gz	IHFSXFOPMPCDBX-VIFPVBQESA-N	-1	0	296.352	0.827	20	30		CCEDRM
C[C@@H](C#N)CNC(=O)c1ccc([N-]S(C)(=O)=O)nc1	ZINC000599428271	361695861	/nfs/dbraw/zinc/69/58/61/361695861.db2.gz	KIUBFKUFQHAQFP-QMMMGPOBSA-N	-1	0	282.325	0.343	20	30		CCEDRM
C=CCCCCCNC(=O)C(=O)NC[C@H](C)C(=O)[O-]	ZINC000655997411	412727055	/nfs/dbraw/zinc/72/70/55/412727055.db2.gz	GXIATLYUMVJPBM-JTQLQIEISA-N	-1	0	270.329	0.686	20	30		CCEDRM
CCO[C@@H]1C[C@H](NC(=O)N=c2[n-]n(C)cc2C#N)[C@@H]1OC	ZINC000614325634	364570870	/nfs/dbraw/zinc/57/08/70/364570870.db2.gz	AIEQGTSFYDIXTD-AXFHLTTASA-N	-1	0	293.327	0.028	20	30		CCEDRM
CCOC(C)(C)CNC(=O)N=c1[n-]n(C)cc1C#N	ZINC000614932149	364790482	/nfs/dbraw/zinc/79/04/82/364790482.db2.gz	KLZNXXPIEPWPJQ-UHFFFAOYSA-N	-1	0	265.317	0.650	20	30		CCEDRM
C[C@H]1COC(C)(C)CN1C(=O)N=c1[n-]n(C)cc1C#N	ZINC000616990010	365509473	/nfs/dbraw/zinc/50/94/73/365509473.db2.gz	RTJGDICKQXHGPE-VIFPVBQESA-N	-1	0	277.328	0.745	20	30		CCEDRM
C=CCCOCC(=O)N[C@H](c1nnn[n-]1)c1ccccc1	ZINC000622610448	367221350	/nfs/dbraw/zinc/22/13/50/367221350.db2.gz	VPJOPXKCMXELBB-ZDUSSCGKSA-N	-1	0	287.323	0.998	20	30		CCEDRM
C=CC(C)(C)CCNC(=O)C(=O)N=c1ncn(C(C)C)[n-]1	ZINC000627685980	369076573	/nfs/dbraw/zinc/07/65/73/369076573.db2.gz	OYQAENGZFJEMTF-UHFFFAOYSA-N	-1	0	293.371	0.938	20	30		CCEDRM
Cc1cc(C#N)ccc1S(=O)(=O)[N-]N1CCCNC1=O	ZINC000276664844	193420434	/nfs/dbraw/zinc/42/04/34/193420434.db2.gz	JVFIFAKLPYTVGV-UHFFFAOYSA-N	-1	0	294.336	0.475	20	30		CCEDRM
C=CCOC[C@H](NC(=O)[C@@H](OCC)C(C)C)C(=O)[O-]	ZINC000630187027	369995834	/nfs/dbraw/zinc/99/58/34/369995834.db2.gz	HGVMFYFUWAACCO-QWRGUYRKSA-N	-1	0	273.329	0.820	20	30		CCEDRM
C=CCOC[C@H](NC(=O)[C@@H](OCC)C1CC1)C(=O)[O-]	ZINC000630186003	369996246	/nfs/dbraw/zinc/99/62/46/369996246.db2.gz	JRARDMOHMMGFRL-QWRGUYRKSA-N	-1	0	271.313	0.574	20	30		CCEDRM
C=CCOC[C@@H](NC(=O)c1cocc1C)C(=O)[O-]	ZINC000630185794	369996371	/nfs/dbraw/zinc/99/63/71/369996371.db2.gz	GXKQMPUAWSPJLG-SNVBAGLBSA-N	-1	0	253.254	0.974	20	30		CCEDRM
C=CCOC[C@H](NC(=O)[C@@H](C)c1ccnn1C)C(=O)[O-]	ZINC000630187308	369997382	/nfs/dbraw/zinc/99/73/82/369997382.db2.gz	MTDMURHGPUSBSB-UWVGGRQHSA-N	-1	0	281.312	0.296	20	30		CCEDRM
C=C(C)C[C@@H](NC(=O)c1nn(C)cc1C)C(=O)[O-]	ZINC000630320700	370045795	/nfs/dbraw/zinc/04/57/95/370045795.db2.gz	AEQOLHWRMMWKFH-SECBINFHSA-N	-1	0	251.286	0.878	20	30		CCEDRM
C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)C1(C(=O)[O-])CC1	ZINC000630302813	370037925	/nfs/dbraw/zinc/03/79/25/370037925.db2.gz	HWJHKCUFUQXEDL-ZJUUUORDSA-N	-1	0	253.298	0.949	20	30		CCEDRM
C=CCOC[C@H](NC(=O)c1cncnc1C(C)C)C(=O)[O-]	ZINC000630185479	369995263	/nfs/dbraw/zinc/99/52/63/369995263.db2.gz	BZGGGFURFLLYSR-NSHDSACASA-N	-1	0	293.323	0.986	20	30		CCEDRM
C=C(C)C[C@H](NS(=O)(=O)C[C@@H](C)COCC)C(=O)[O-]	ZINC000630438256	370117435	/nfs/dbraw/zinc/11/74/35/370117435.db2.gz	NTYOUUHBIOKSPN-QWRGUYRKSA-N	-1	0	293.385	0.998	20	30		CCEDRM
C=C(C)C[C@@H](NS(=O)(=O)N(C)C1CC1)C(=O)[O-]	ZINC000630438734	370117472	/nfs/dbraw/zinc/11/74/72/370117472.db2.gz	XUDZJIMZMZDKEO-SECBINFHSA-N	-1	0	262.331	0.334	20	30		CCEDRM
C=C(C)C[C@@H](NC(=O)NCCn1cccn1)C(=O)[O-]	ZINC000630471830	370129017	/nfs/dbraw/zinc/12/90/17/370129017.db2.gz	FKVRRGWFSNGZRJ-SNVBAGLBSA-N	-1	0	266.301	0.602	20	30		CCEDRM
C=C(C)C[C@@H](NC(=O)N[C@H](C)Cn1cccn1)C(=O)[O-]	ZINC000630471244	370129148	/nfs/dbraw/zinc/12/91/48/370129148.db2.gz	QDFMFOCNGHYBGH-GHMZBOCLSA-N	-1	0	280.328	0.990	20	30		CCEDRM
C=C(C)C[C@@H](NC(=O)NC[C@H](C)COC)C(=O)[O-]	ZINC000630479540	370130352	/nfs/dbraw/zinc/13/03/52/370130352.db2.gz	GJZUWVXYPNWGFQ-VHSXEESVSA-N	-1	0	258.318	0.988	20	30		CCEDRM
C=CCOCCCNC(=O)[C@@H]1CC[C@H](C(=O)[O-])O1	ZINC000656486339	412812728	/nfs/dbraw/zinc/81/27/28/412812728.db2.gz	NDBNPJRRQZXODI-VHSXEESVSA-N	-1	0	257.286	0.328	20	30		CCEDRM
C=CCC[C@H](NC(=O)c1nnn(C(C)(C)C)n1)C(=O)[O-]	ZINC000656490679	412813088	/nfs/dbraw/zinc/81/30/88/412813088.db2.gz	FHJICWKBINZFHF-QMMMGPOBSA-N	-1	0	281.316	0.577	20	30		CCEDRM
C=CCn1c(S[C@@H]2CCN(CC)C2=O)n[nH]c1=O	ZINC000657251752	412942648	/nfs/dbraw/zinc/94/26/48/412942648.db2.gz	LKFZYDKICQJUKM-MRVPVSSYSA-N	-1	0	268.342	0.883	20	30		CCEDRM
COCCn1cc([N-]S(=O)(=O)c2ccc(C#N)o2)cn1	ZINC000288468868	197086111	/nfs/dbraw/zinc/08/61/11/197086111.db2.gz	KJJZWWVRHAGFSW-UHFFFAOYSA-N	-1	0	296.308	0.795	20	30		CCEDRM
C=CCN(CC(=O)[O-])S(=O)(=O)CC(C)(C)C(=O)OC	ZINC000287712673	388855946	/nfs/dbraw/zinc/85/59/46/388855946.db2.gz	YECRYEGHXYZVNG-UHFFFAOYSA-N	-1	0	293.341	0.088	20	30		CCEDRM
C=C[C@H](CO)NC(=O)[C@@H]([N-]C(=O)C(F)(F)F)C(C)C	ZINC000290605861	388908631	/nfs/dbraw/zinc/90/86/31/388908631.db2.gz	NNBCDKNZEQQWAV-SFYZADRCSA-N	-1	0	282.262	0.353	20	30		CCEDRM
Cc1c(C#N)cccc1C(=O)NCc1n[nH]c(=O)[n-]1	ZINC000338145215	389079102	/nfs/dbraw/zinc/07/91/02/389079102.db2.gz	ZZQIJSDVXOWOAF-UHFFFAOYSA-N	-1	0	257.253	0.620	20	30		CCEDRM
Cc1[nH]nc(C(=O)Nc2nc(C#N)c(C#N)[n-]2)c1C	ZINC000355530279	389090094	/nfs/dbraw/zinc/09/00/94/389090094.db2.gz	ASKKTIURGDMCSA-UHFFFAOYSA-N	-1	0	255.241	0.745	20	30		CCEDRM
N#Cc1csc(C(=O)N2CCN3C(=O)NC(=O)[C@H]3C2)c1	ZINC000328942995	389146218	/nfs/dbraw/zinc/14/62/18/389146218.db2.gz	LMBXPRXCXFRVOE-MRVPVSSYSA-N	-1	0	290.304	0.836	20	30		CCEDRM
N#C[C@@]1(NC(=O)c2ccc([N+](=O)[O-])c([O-])c2)CCOC1	ZINC000358436881	389150311	/nfs/dbraw/zinc/15/03/11/389150311.db2.gz	CYFKKJSYUSTTFZ-LBPRGKRZSA-N	-1	0	277.236	0.713	20	30		CCEDRM
C#CCN(CC#N)S(=O)(=O)c1ccc(C(=O)[O-])cc1C	ZINC000312306024	389107902	/nfs/dbraw/zinc/10/79/02/389107902.db2.gz	UBCVFYXNPCXWQS-UHFFFAOYSA-N	-1	0	292.316	0.841	20	30		CCEDRM
Cc1[n-][nH]c(=NC(=O)[C@H]2CCC(=O)[C@H](C)C2)c1C#N	ZINC000357262430	389132585	/nfs/dbraw/zinc/13/25/85/389132585.db2.gz	SDIQNBTYJXMRIN-APPZFPTMSA-N	-1	0	260.297	0.956	20	30		CCEDRM
Cn1cc(C#N)c(=NC(=O)[C@@H]2CCCSC2)[n-]1	ZINC000329774112	389199236	/nfs/dbraw/zinc/19/92/36/389199236.db2.gz	LYLCUISSGDTOQO-MRVPVSSYSA-N	-1	0	250.327	0.795	20	30		CCEDRM
C=C[C@@H](CO)NC(=O)NCc1nc(C(F)(F)F)n[nH]1	ZINC000359142591	389167421	/nfs/dbraw/zinc/16/74/21/389167421.db2.gz	JRBBBONPMOJASK-YFKPBYRVSA-N	-1	0	279.222	0.170	20	30		CCEDRM
COc1cnc([N-]S(=O)(=O)c2ccc(C#N)o2)nc1	ZINC000342587059	389225455	/nfs/dbraw/zinc/22/54/55/389225455.db2.gz	LBOTUOIEGNHQDF-UHFFFAOYSA-N	-1	0	280.265	0.751	20	30		CCEDRM
C=CCCOCCNC(=O)N=c1ccc(OC)n[n-]1	ZINC000346668197	389334885	/nfs/dbraw/zinc/33/48/85/389334885.db2.gz	MPTVTRWGYSHQFA-UHFFFAOYSA-N	-1	0	266.301	0.621	20	30		CCEDRM
C=CCC[C@H](NC(=O)c1cn(C)nc1C)C(=O)[O-]	ZINC000262978964	389296959	/nfs/dbraw/zinc/29/69/59/389296959.db2.gz	UESGTKCALCETGZ-JTQLQIEISA-N	-1	0	251.286	0.878	20	30		CCEDRM
C=C(C)C[C@@H](C)C(=O)Nc1n[n-]c(S(C)(=O)=O)n1	ZINC000345341591	389304711	/nfs/dbraw/zinc/30/47/11/389304711.db2.gz	BFPBIRDVJDHDSI-SSDOTTSWSA-N	-1	0	272.330	0.749	20	30		CCEDRM
N#Cc1cc(C(=O)[N-]S(=O)(=O)[C@@H]2CCCOC2)ccn1	ZINC000408488955	389367993	/nfs/dbraw/zinc/36/79/93/389367993.db2.gz	ZMKAKSXDJCOIGH-LLVKDONJSA-N	-1	0	295.320	0.192	20	30		CCEDRM
N#Cc1cncc(S(=O)(=O)[N-]C(=O)C2CCCC2)c1	ZINC000408490093	389368036	/nfs/dbraw/zinc/36/80/36/389368036.db2.gz	YNIKXKGLBRMZIA-UHFFFAOYSA-N	-1	0	279.321	0.948	20	30		CCEDRM
Cc1[nH]c(C#N)cc1C(=O)[N-]S(=O)(=O)C1(C)CC1	ZINC000408499282	389370494	/nfs/dbraw/zinc/37/04/94/389370494.db2.gz	UXZGQFVWJBEESX-UHFFFAOYSA-N	-1	0	267.310	0.807	20	30		CCEDRM
C=C(C)COCCNC(=O)N1C[C@@H](OC)C[C@H]1C(=O)[O-]	ZINC000164135252	389432456	/nfs/dbraw/zinc/43/24/56/389432456.db2.gz	WBFBJCMNXMRIMY-QWRGUYRKSA-N	-1	0	286.328	0.463	20	30		CCEDRM
C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)[C@@H]1CC[C@H](C(=O)[O-])O1	ZINC000281499919	389617196	/nfs/dbraw/zinc/61/71/96/389617196.db2.gz	FMEKXQWLZYMZCW-KXNHARMFSA-N	-1	0	283.324	0.716	20	30		CCEDRM
CC#CC[C@@H](NS(=O)(=O)c1cncc(OC)c1)C(=O)[O-]	ZINC000281859403	389628949	/nfs/dbraw/zinc/62/89/49/389628949.db2.gz	MTKQQXAZWRZOKP-LLVKDONJSA-N	-1	0	298.320	0.235	20	30		CCEDRM
C=CCCn1cc(C(=O)N=c2[nH][n-]c(C)c2C#N)nn1	ZINC000425288143	389643521	/nfs/dbraw/zinc/64/35/21/389643521.db2.gz	XNOLPQNPKRFBOI-UHFFFAOYSA-N	-1	0	271.284	0.432	20	30		CCEDRM
CCOC(=O)Cn1cnc(=NC(=O)N(CC)CCC#N)[n-]1	ZINC000425699414	389655513	/nfs/dbraw/zinc/65/55/13/389655513.db2.gz	IAFHPNLAMWPLJG-UHFFFAOYSA-N	-1	0	294.315	0.031	20	30		CCEDRM
C=C[C@H](CO)NC(=O)c1cc(C)c2c(=O)[n-]c(=O)nc-2[nH]1	ZINC000426856647	389679694	/nfs/dbraw/zinc/67/96/94/389679694.db2.gz	LPBPWYSSSJIPOG-SSDOTTSWSA-N	-1	0	290.279	0.021	20	30		CCEDRM
Cn1nccc1-c1ccc(=NC(=O)N2CC(C)(C#N)C2)[n-]n1	ZINC000417304769	389809406	/nfs/dbraw/zinc/80/94/06/389809406.db2.gz	UZBUAZHNIXGYMS-UHFFFAOYSA-N	-1	0	297.322	0.676	20	30		CCEDRM
N#Cc1ccc(C(=O)NCCc2nc(=O)o[n-]2)s1	ZINC000447637693	389960908	/nfs/dbraw/zinc/96/09/08/389960908.db2.gz	WBXZYGAFNJQFAF-UHFFFAOYSA-N	-1	0	264.266	0.269	20	30		CCEDRM
C=C[C@H](C)NC(=O)N=c1ccc(-c2cnn(C)c2)n[n-]1	ZINC000433682899	389917422	/nfs/dbraw/zinc/91/74/22/389917422.db2.gz	ARAQBAPXCMVVAC-VIFPVBQESA-N	-1	0	272.312	0.995	20	30		CCEDRM
N#CCNC(=O)CNC(=O)c1ccc(Cl)cc1O	ZINC000436717863	389983692	/nfs/dbraw/zinc/98/36/92/389983692.db2.gz	YGNJJFGTWHOZAT-UHFFFAOYSA-N	-1	0	267.672	0.415	20	30		CCEDRM
CC#CCS(=O)(=O)[N-]C(=O)/C=C\C1CCOCC1	ZINC000492961210	390118805	/nfs/dbraw/zinc/11/88/05/390118805.db2.gz	YFYZMQPZRWINIQ-PLNGDYQASA-N	-1	0	271.338	0.439	20	30		CCEDRM
C#C[C@H](C)N(C)C(=O)C(=O)N=c1[n-]n(C(C)C)cc1C#N	ZINC000491749209	390116521	/nfs/dbraw/zinc/11/65/21/390116521.db2.gz	PSJRSWIDUGTIEJ-JTQLQIEISA-N	-1	0	287.323	0.176	20	30		CCEDRM
Cc1cc(=O)c(C(=O)N=c2[nH][n-]c(C3CC3)c2C#N)c[nH]1	ZINC000582114352	390261172	/nfs/dbraw/zinc/26/11/72/390261172.db2.gz	KRAKYEWYACWAJM-UHFFFAOYSA-N	-1	0	283.291	0.830	20	30		CCEDRM
C=C(C)CS(=O)(=O)NC[C@H](Cc1cccnc1)C(=O)[O-]	ZINC000583937784	390326442	/nfs/dbraw/zinc/32/64/42/390326442.db2.gz	AQZLCXZQXIIDCK-LBPRGKRZSA-N	-1	0	298.364	0.820	20	30		CCEDRM
C=CCN(CC(=O)[O-])S(=O)(=O)N(C)CC1CC1	ZINC000547908736	390408179	/nfs/dbraw/zinc/40/81/79/390408179.db2.gz	AAPFPKNCTNMODX-UHFFFAOYSA-N	-1	0	262.331	0.146	20	30		CCEDRM
C=CC[C@@H](NS(=O)(=O)c1cccc2c1OCC2)C(=O)[O-]	ZINC000643297537	390430564	/nfs/dbraw/zinc/43/05/64/390430564.db2.gz	LUSPASHGULIDKS-SNVBAGLBSA-N	-1	0	297.332	0.929	20	30		CCEDRM
C=CC[C@H](NS(=O)(=O)[C@H]1CCO[C@H]1C)C(=O)[O-]	ZINC000646041147	390581608	/nfs/dbraw/zinc/58/16/08/390581608.db2.gz	YXCOCIGCQRAETF-CIUDSAMLSA-N	-1	0	263.315	0.113	20	30		CCEDRM
C=CCn1cc(C(=O)N[C@@H](C(=O)[O-])[C@H]2CCCOC2)nn1	ZINC000649248168	390537358	/nfs/dbraw/zinc/53/73/58/390537358.db2.gz	FOKCVYCUNZTZKH-GXSJLCMTSA-N	-1	0	294.311	0.074	20	30		CCEDRM
C=CCn1cc(C(=O)NC[C@H](CC)C(=O)[O-])nn1	ZINC000649264929	390541364	/nfs/dbraw/zinc/54/13/64/390541364.db2.gz	LWRQOKGSBJNUFM-QMMMGPOBSA-N	-1	0	252.274	0.305	20	30		CCEDRM
CC#CC[C@H](CO)NC(=O)N=c1[n-]nc(CCC)s1	ZINC000646184872	390627658	/nfs/dbraw/zinc/62/76/58/390627658.db2.gz	DCLBPJFIDKJPRS-SECBINFHSA-N	-1	0	282.369	0.808	20	30		CCEDRM
C=C[C@@H]1OCCC[C@H]1C(=O)NC1(c2nnn[n-]2)CC1	ZINC000567677370	390710395	/nfs/dbraw/zinc/71/03/95/390710395.db2.gz	SBDOFUMTUVPBMQ-BDAKNGLRSA-N	-1	0	263.301	0.286	20	30		CCEDRM
CCN(C[C@@H](C)C(=O)[O-])S(=O)(=O)N(C)[C@@H](C)CC#N	ZINC000568002268	390712013	/nfs/dbraw/zinc/71/20/13/390712013.db2.gz	WUOGGPVNDMABAP-ZJUUUORDSA-N	-1	0	291.373	0.508	20	30		CCEDRM
C=CCOC[C@H](NC(=O)N[C@@H](C)Cn1cccn1)C(=O)[O-]	ZINC000569771626	390716542	/nfs/dbraw/zinc/71/65/42/390716542.db2.gz	NMKPAJCVUNVAQZ-QWRGUYRKSA-N	-1	0	296.327	0.227	20	30		CCEDRM
CC(=O)N[C@H](C(=O)N=c1[nH][n-]c(C2CC2)c1C#N)C(C)C	ZINC000571237672	390727521	/nfs/dbraw/zinc/72/75/21/390727521.db2.gz	NYAMAAJIXNELMK-NSHDSACASA-N	-1	0	289.339	0.680	20	30		CCEDRM
C=CCCn1cc(C(=O)NC2(CC(=O)[O-])CC2)nn1	ZINC000572847773	390806794	/nfs/dbraw/zinc/80/67/94/390806794.db2.gz	QJZLHLYHSIGTFR-UHFFFAOYSA-N	-1	0	264.285	0.591	20	30		CCEDRM
C=CC[C@H](CO)CNc1ccc(C(=O)[O-])c(OC)n1	ZINC000571686385	390748798	/nfs/dbraw/zinc/74/87/98/390748798.db2.gz	AGVAKQDXZYCMBO-VIFPVBQESA-N	-1	0	266.297	0.807	20	30		CCEDRM
C=CCN(CC=C)S(=O)(=O)c1c(C(=O)[O-])cnn1C	ZINC000530148072	390875555	/nfs/dbraw/zinc/87/55/55/390875555.db2.gz	XLJBYKITQSLAJU-UHFFFAOYSA-N	-1	0	285.325	0.481	20	30		CCEDRM
C=C(C)CS(=O)(=O)N1CC[C@@](OC)(C(=O)[O-])C1	ZINC000530154422	390875565	/nfs/dbraw/zinc/87/55/65/390875565.db2.gz	TUPSKRHWORDJHQ-JTQLQIEISA-N	-1	0	263.315	0.068	20	30		CCEDRM
CO[C@@H](CNS(=O)(=O)CCCCC#N)CC(=O)[O-]	ZINC000530541132	390876856	/nfs/dbraw/zinc/87/68/56/390876856.db2.gz	HBLDQGPNFUYXMI-SECBINFHSA-N	-1	0	278.330	0.089	20	30		CCEDRM
CCCCc1noc(Cn2c(=O)[n-]cc(C#N)c2=O)n1	ZINC000572959835	390813446	/nfs/dbraw/zinc/81/34/46/390813446.db2.gz	DYLOPXMMWANIFA-UHFFFAOYSA-N	-1	0	275.268	0.182	20	30		CCEDRM
C=CCN(C)C(=O)C(=O)N1CCC(C)(C(=O)[O-])CC1	ZINC000647501696	390825013	/nfs/dbraw/zinc/82/50/13/390825013.db2.gz	WERRNHZHCLZDOK-UHFFFAOYSA-N	-1	0	268.313	0.344	20	30		CCEDRM
Cc1[n-][nH]c(=NC(=O)c2cnc3c(cnn3C)c2)c1C#N	ZINC000577886026	390851549	/nfs/dbraw/zinc/85/15/49/390851549.db2.gz	HGDDLCYSISVEJT-UHFFFAOYSA-N	-1	0	281.279	0.546	20	30		CCEDRM
N#Cc1ncn(CC2=Nc3ccccc3S(=O)(=O)[N-]2)n1	ZINC000357230046	144071331	/nfs/dbraw/zinc/07/13/31/144071331.db2.gz	YHLZWNLKVATWCM-UHFFFAOYSA-N	-1	0	288.292	0.172	20	30		CCEDRM
Cc1[n-][nH]c(=NC(=O)c2cc([N+](=O)[O-])c[nH]c2=O)c1C#N	ZINC000357248948	144073558	/nfs/dbraw/zinc/07/35/58/144073558.db2.gz	WNGVNLWXPLQVPR-UHFFFAOYSA-N	-1	0	288.223	0.273	20	30		CCEDRM
Cc1[n-][nH]c(=NC(=O)[C@H]2CCC(=O)[C@@H](C)C2)c1C#N	ZINC000357262433	144075855	/nfs/dbraw/zinc/07/58/55/144075855.db2.gz	SDIQNBTYJXMRIN-CBAPKCEASA-N	-1	0	260.297	0.956	20	30		CCEDRM
C[C@]1(C(=O)[N-]S(=O)(=O)c2cncc(C#N)c2)CCOC1	ZINC000408487998	144476466	/nfs/dbraw/zinc/47/64/66/144476466.db2.gz	MXTOVWHHEUYYBC-LBPRGKRZSA-N	-1	0	295.320	0.185	20	30		CCEDRM
C=CCC(CC=C)C(=O)N=c1ccc(C(=O)NC)n[n-]1	ZINC000650817424	397766206	/nfs/dbraw/zinc/76/62/06/397766206.db2.gz	BWFUINNEVMDCTD-UHFFFAOYSA-N	-1	0	274.324	0.965	20	30		CCEDRM
C[C@H](CN(C)C(=O)Cc1cccc(C#N)c1)c1nnn[n-]1	ZINC000548138459	286009865	/nfs/dbraw/zinc/00/98/65/286009865.db2.gz	BKZNYVCJSABZOZ-SNVBAGLBSA-N	-1	0	284.323	0.876	20	30		CCEDRM
CC[C@H](CNS(=O)(=O)c1ccc(C#N)o1)CC(=O)[O-]	ZINC000548768450	286066823	/nfs/dbraw/zinc/06/68/23/286066823.db2.gz	UHVRHJIKVCVTKV-QMMMGPOBSA-N	-1	0	286.309	0.930	20	30		CCEDRM
N#Cc1ccncc1C(=O)N1CCC[C@H](c2n[nH]c(=O)[n-]2)C1	ZINC000575126380	335069936	/nfs/dbraw/zinc/06/99/36/335069936.db2.gz	AJUZVUYZFPAEHI-JTQLQIEISA-N	-1	0	298.306	0.797	20	30		CCEDRM
N#Cc1ccncc1C(=O)N1CCC[C@@H](c2n[nH]c(=O)[n-]2)C1	ZINC000575126381	335069952	/nfs/dbraw/zinc/06/99/52/335069952.db2.gz	AJUZVUYZFPAEHI-SNVBAGLBSA-N	-1	0	298.306	0.797	20	30		CCEDRM
C=CCCC(C)(C)NC(=O)Cn1cc(C(=O)[O-])nn1	ZINC000659244217	413354302	/nfs/dbraw/zinc/35/43/02/413354302.db2.gz	YTAKYZTUDVBEMY-UHFFFAOYSA-N	-1	0	266.301	0.837	20	30		CCEDRM
N#Cc1cccc(S(=O)(=O)NCCC(=O)[O-])c1	ZINC000021050504	171294824	/nfs/dbraw/zinc/29/48/24/171294824.db2.gz	GDVRHPHZUSMYHN-UHFFFAOYSA-N	-1	0	254.267	0.311	20	30		CCEDRM
N#Cc1ccc(C(=O)N[C@@H](Cc2c[nH]cn2)C(=O)[O-])cc1	ZINC000022175412	171370278	/nfs/dbraw/zinc/37/02/78/171370278.db2.gz	MBYXRMYQQXKNRG-LBPRGKRZSA-N	-1	0	284.275	0.707	20	30		CCEDRM
C=CCCOCC(=O)N1C[C@@H](OC)C[C@H]1CC(=O)[O-]	ZINC000653668238	412334810	/nfs/dbraw/zinc/33/48/10/412334810.db2.gz	ZVNLJSRMXGLRSI-QWRGUYRKSA-N	-1	0	271.313	0.670	20	30		CCEDRM
C[C@@H](C#N)CN(C)S(=O)(=O)N1CCC[C@H](C(=O)[O-])C1	ZINC000037838580	173795933	/nfs/dbraw/zinc/79/59/33/173795933.db2.gz	WBKUUZZAECUBEG-UWVGGRQHSA-N	-1	0	289.357	0.119	20	30		CCEDRM
N#Cc1cccc(S(=O)(=O)N2CC(C(=O)[O-])C2)c1	ZINC000071173237	176053013	/nfs/dbraw/zinc/05/30/13/176053013.db2.gz	SZERRHRXHAVAPN-UHFFFAOYSA-N	-1	0	266.278	0.263	20	30		CCEDRM
N#CCC1(O)CN(C(=O)c2cc(F)c([O-])c(F)c2)C1	ZINC000331951706	228141400	/nfs/dbraw/zinc/14/14/00/228141400.db2.gz	KSTJFDUNRNGEED-UHFFFAOYSA-N	-1	0	268.219	0.771	20	30		CCEDRM
C=C(C)CN(CC)S(=O)(=O)N(C)CCC(=O)[O-]	ZINC000088767393	544510780	/nfs/dbraw/zinc/51/07/80/544510780.db2.gz	QEOJQMMAUJDKRY-UHFFFAOYSA-N	-1	0	264.347	0.536	20	30		CCEDRM
C=C(C)C[C@@H](NC(=O)C(=O)Nc1cc(C)on1)C(=O)[O-]	ZINC000630327030	419462456	/nfs/dbraw/zinc/46/24/56/419462456.db2.gz	VGNXTRVZASCLLW-MRVPVSSYSA-N	-1	0	281.268	0.457	20	30		CCEDRM
C=CCCCN(C)S(=O)(=O)N(C)CCC(=O)[O-]	ZINC000135971079	544637161	/nfs/dbraw/zinc/63/71/61/544637161.db2.gz	CAILFUJHGPXEPW-UHFFFAOYSA-N	-1	0	264.347	0.536	20	30		CCEDRM
N#Cc1nc(NC(=O)c2ccc(F)cn2)[n-]c1C#N	ZINC000182718079	260094189	/nfs/dbraw/zinc/09/41/89/260094189.db2.gz	PXEUGZIWSAJDRB-UHFFFAOYSA-N	-1	0	256.200	0.939	20	30		CCEDRM
C=CCc1cc(CN=c2nn[n-]n2C)cc(OC)c1OC	ZINC000518594891	260460763	/nfs/dbraw/zinc/46/07/63/260460763.db2.gz	AGCCAXMJMGVAMF-UHFFFAOYSA-N	-1	0	289.339	0.990	20	30		CCEDRM
C=CCCCC(=O)N1CCO[C@H](c2nnn[n-]2)C1	ZINC000364362773	262218054	/nfs/dbraw/zinc/21/80/54/262218054.db2.gz	WBGTXTOPESVPLV-VIFPVBQESA-N	-1	0	251.290	0.456	20	30		CCEDRM
C=CCn1cccc1C(=O)NCCc1n[n-]c(=N)o1	ZINC000355122687	262348558	/nfs/dbraw/zinc/34/85/58/262348558.db2.gz	ZXAHGRCYNNBWMH-UHFFFAOYSA-N	-1	0	261.285	0.442	20	30		CCEDRM
N#C[C@@H]1CN(C(=O)c2s[n-]c(=O)c2Cl)CCO1	ZINC000283214765	263081967	/nfs/dbraw/zinc/08/19/67/263081967.db2.gz	XTVUEUPHFWGTDC-RXMQYKEDSA-N	-1	0	273.701	0.867	20	30		CCEDRM
N#C[C@H]1COCCN1C(=O)c1s[n-]c(=O)c1Cl	ZINC000283566497	263083408	/nfs/dbraw/zinc/08/34/08/263083408.db2.gz	WCPNSWADGHZEJI-YFKPBYRVSA-N	-1	0	273.701	0.867	20	30		CCEDRM
O=C(N=c1[n-]ncs1)NCC1(CO)CCOCC1	ZINC000331257520	264183106	/nfs/dbraw/zinc/18/31/06/264183106.db2.gz	CXWBFPFBGYACQK-UHFFFAOYSA-N	-1	0	272.330	0.075	20	30		CCEDRM
C=CC[C@H](NS(=O)(=O)N1CCCCC1)C(=O)[O-]	ZINC000161293104	264280421	/nfs/dbraw/zinc/28/04/21/264280421.db2.gz	XJYWPCUEBYIUIU-VIFPVBQESA-N	-1	0	262.331	0.336	20	30		CCEDRM
C=C[C@H](CO)NC(=O)c1cc([O-])ccc1[N+](=O)[O-]	ZINC000356865353	266197668	/nfs/dbraw/zinc/19/76/68/266197668.db2.gz	VQILYONONVITGT-SSDOTTSWSA-N	-1	0	252.226	0.577	20	30		CCEDRM
Cc1n[n-]c(=NC(=O)N2CCN(C3CC3)[C@@H](C#N)C2)s1	ZINC000369231980	267227364	/nfs/dbraw/zinc/22/73/64/267227364.db2.gz	NTXUAQAGKINHNH-JTQLQIEISA-N	-1	0	292.368	0.473	20	30		CCEDRM
Cc1nc(C[N-]S(=O)(=O)c2ccc(C#N)cc2F)no1	ZINC000525185217	268076951	/nfs/dbraw/zinc/07/69/51/268076951.db2.gz	RJGKNHHEFJXUCH-UHFFFAOYSA-N	-1	0	296.283	0.867	20	30		CCEDRM
C=CCCS(=O)(=O)N1CC[C@@H](C(=O)[O-])[C@H](C)C1	ZINC000276101181	277835132	/nfs/dbraw/zinc/83/51/32/277835132.db2.gz	JBLUTHHHJJLZMW-NXEZZACHSA-N	-1	0	261.343	0.935	20	30		CCEDRM
CN1CCO[C@H](C([O-])=Nc2cccn(C)c2=O)C1	ZINC000329876069	290105837	/nfs/dbraw/zinc/10/58/37/290105837.db2.gz	HKOHWVVQSXIGGH-JTQLQIEISA-N	-1	0	251.286	0.304	20	30		CCEDRM
Cc1ncc(S(=O)(=O)N2CCC[C@@H]2C(=O)[O-])cc1C#N	ZINC000261869048	302699698	/nfs/dbraw/zinc/69/96/98/302699698.db2.gz	YVHVCROEQPADIG-LLVKDONJSA-N	-1	0	295.320	0.499	20	30		CCEDRM
N#Cc1nc(NC(=O)[C@H]2C[C@]23CCOC3)[n-]c1C#N	ZINC000368128953	303216637	/nfs/dbraw/zinc/21/66/37/303216637.db2.gz	LNGPOILKELZPGN-KRTXAFLBSA-N	-1	0	257.253	0.518	20	30		CCEDRM
C[C@@]1(C(=O)[O-])CCCN1S(=O)(=O)CC1(CC#N)CC1	ZINC000571289279	328098466	/nfs/dbraw/zinc/09/84/66/328098466.db2.gz	WKSTXKHTSMWPFV-NSHDSACASA-N	-1	0	286.353	0.949	20	30		CCEDRM
C=C(C)CS(=O)(=O)N1CCSC[C@H]1CC(=O)[O-]	ZINC000571400776	328119105	/nfs/dbraw/zinc/11/91/05/328119105.db2.gz	XUCJVBDJRNJCLU-SECBINFHSA-N	-1	0	279.383	0.784	20	30		CCEDRM
N#CCCCS(=O)(=O)N[C@@H](Cc1ccccc1)C(=O)[O-]	ZINC000261761006	328141236	/nfs/dbraw/zinc/14/12/36/328141236.db2.gz	XVGQMVZOMUDIGG-LBPRGKRZSA-N	-1	0	296.348	0.905	20	30		CCEDRM
N#CCc1cccc(C(=O)N[C@]2(C(=O)[O-])CCOC2)c1	ZINC000262085898	328144579	/nfs/dbraw/zinc/14/45/79/328144579.db2.gz	FEVYGTZNTFFLMT-CQSZACIVSA-N	-1	0	274.276	0.726	20	30		CCEDRM
CN(CCC#N)S(=O)(=O)N[C@H](C(=O)[O-])c1ccccc1	ZINC000340452277	328279361	/nfs/dbraw/zinc/27/93/61/328279361.db2.gz	YUXZRYPBJZXUAR-NSHDSACASA-N	-1	0	297.336	0.492	20	30		CCEDRM
COC(=O)NCC(=O)[N-]S(=O)(=O)Cc1ccccc1	ZINC000048519462	328309525	/nfs/dbraw/zinc/30/95/25/328309525.db2.gz	MBGBEZRHTSKMMM-UHFFFAOYSA-N	-1	0	286.309	0.829	20	30		CCEDRM
C=CC[C@H](CO)CNC(=O)N=c1nc(SC)[n-]s1	ZINC000341690204	328415042	/nfs/dbraw/zinc/41/50/42/328415042.db2.gz	BDMWMVLNGIBBML-ZETCQYMHSA-N	-1	0	288.398	0.988	20	30		CCEDRM
C=CCCCS(=O)(=O)N[C@H](CCOC)C(=O)[O-]	ZINC000291855928	328535463	/nfs/dbraw/zinc/53/54/63/328535463.db2.gz	JHJQMSRLIJXNSF-SECBINFHSA-N	-1	0	265.331	0.362	20	30		CCEDRM
CN(CCC#N)S(=O)(=O)N[C@H](CC1CCC1)C(=O)[O-]	ZINC000530473130	326815014	/nfs/dbraw/zinc/81/50/14/326815014.db2.gz	MVLAPCXWDUTKOB-SNVBAGLBSA-N	-1	0	289.357	0.310	20	30		CCEDRM
C=CCN(CC(=O)[O-])S(=O)(=O)c1ccc(C#N)o1	ZINC000558472860	327097021	/nfs/dbraw/zinc/09/70/21/327097021.db2.gz	ISKJPQFINBKSCZ-UHFFFAOYSA-N	-1	0	270.266	0.413	20	30		CCEDRM
C=CCn1c(SCc2cn(C)nn2)n[n-]c1=N	ZINC000536376510	327232966	/nfs/dbraw/zinc/23/29/66/327232966.db2.gz	AEVJMKJUIFVNQA-UHFFFAOYSA-N	-1	0	251.319	0.297	20	30		CCEDRM
Cc1nn(C)c(C)c1S(=O)(=O)[N-]C(=O)c1cnn(C)c1	ZINC000042338247	327237380	/nfs/dbraw/zinc/23/73/80/327237380.db2.gz	SVCDZKKCXVBZAD-UHFFFAOYSA-N	-1	0	297.340	0.464	20	30		CCEDRM
C[C@H](C(=O)N(C)C)S(=O)(=O)[N-]c1cccc(C#N)n1	ZINC000574084631	327288599	/nfs/dbraw/zinc/28/85/99/327288599.db2.gz	PMASKFJPTZGDDB-MRVPVSSYSA-N	-1	0	282.325	0.172	20	30		CCEDRM
Cn1cc([N-]S(=O)(=O)Cc2ccc(CC#N)cc2)nn1	ZINC000564972668	327296597	/nfs/dbraw/zinc/29/65/97/327296597.db2.gz	MTBLURIFXOEHJM-UHFFFAOYSA-N	-1	0	291.336	0.823	20	30		CCEDRM
C=C[C@@H](CCC(=O)[O-])NS(=O)(=O)c1cncc(F)c1	ZINC000562651822	327501858	/nfs/dbraw/zinc/50/18/58/327501858.db2.gz	RPVAFQPDYSNBJK-VIFPVBQESA-N	-1	0	288.300	0.918	20	30		CCEDRM
CC(C)CN(C(=O)Cn1c(=O)[n-]cc(C#N)c1=O)C1CC1	ZINC000584409492	329459751	/nfs/dbraw/zinc/45/97/51/329459751.db2.gz	DEGJYVGDZGZTAS-UHFFFAOYSA-N	-1	0	290.323	0.055	20	30		CCEDRM
C=CCCn1cc(C(=O)N2CCO[C@H](CC(=O)[O-])C2)nn1	ZINC000425241903	329646998	/nfs/dbraw/zinc/64/69/98/329646998.db2.gz	NZFXQWDMVRZVQM-SNVBAGLBSA-N	-1	0	294.311	0.170	20	30		CCEDRM
C=CC[C@H](CC)NC(=O)C(=O)NCCCC(=O)[O-]	ZINC000420564355	329774770	/nfs/dbraw/zinc/77/47/70/329774770.db2.gz	PYQDYOIJHVZJJR-VIFPVBQESA-N	-1	0	256.302	0.438	20	30		CCEDRM
C=CC[C@@H](CC)NC(=O)C(=O)N(C)C[C@H](C)C(=O)[O-]	ZINC000420567891	329774817	/nfs/dbraw/zinc/77/48/17/329774817.db2.gz	UMSHARYLHHDFFY-VHSXEESVSA-N	-1	0	270.329	0.636	20	30		CCEDRM
C=C(CC)CNC(=O)C(=O)N1C[C@@H]2CCC[C@@]2(C(=O)[O-])C1	ZINC000420588340	329778191	/nfs/dbraw/zinc/77/81/91/329778191.db2.gz	SGRVTHRAYXTFEQ-XHDPSFHLSA-N	-1	0	294.351	0.782	20	30		CCEDRM
C=CCCO[C@@H](C)C(=O)N1CCC(O)(C(=O)[O-])CC1	ZINC000262445632	330013597	/nfs/dbraw/zinc/01/35/97/330013597.db2.gz	GRHOYJLMZFWSAC-JTQLQIEISA-N	-1	0	271.313	0.406	20	30		CCEDRM
C=CCOC[C@@H](NC(=O)C[C@H](C)SC)C(=O)[O-]	ZINC000262996425	330038221	/nfs/dbraw/zinc/03/82/21/330038221.db2.gz	LWKJDRWXLXLESO-DTWKUNHWSA-N	-1	0	261.343	0.900	20	30		CCEDRM
C=CCOC[C@H](NC(=O)c1cccnc1OCC)C(=O)[O-]	ZINC000263044342	330040530	/nfs/dbraw/zinc/04/05/30/330040530.db2.gz	PMCORJBWOXMRMQ-NSHDSACASA-N	-1	0	294.307	0.866	20	30		CCEDRM
C[C@H]1C[C@H](C(=O)[O-])CN(S(=O)(=O)CC2(C#N)CC2)C1	ZINC000263074086	330042181	/nfs/dbraw/zinc/04/21/81/330042181.db2.gz	ATTYXJHIESTPCB-UWVGGRQHSA-N	-1	0	286.353	0.663	20	30		CCEDRM
C=CCOC[C@@H](NC(=O)C1(CCOC)CCC1)C(=O)[O-]	ZINC000263080678	330042675	/nfs/dbraw/zinc/04/26/75/330042675.db2.gz	RZHIXZCYEPFGPA-LLVKDONJSA-N	-1	0	285.340	0.965	20	30		CCEDRM
CCCN(CC(=O)[O-])S(=O)(=O)N(C)C[C@H](C)C#N	ZINC000263451037	330056470	/nfs/dbraw/zinc/05/64/70/330056470.db2.gz	ANOVDOXQKZWNLV-SECBINFHSA-N	-1	0	277.346	0.119	20	30		CCEDRM
CCN(C[C@@H](C)C#N)S(=O)(=O)N(CC(=O)[O-])C(C)C	ZINC000263468480	330057306	/nfs/dbraw/zinc/05/73/06/330057306.db2.gz	GYNQCGTXTQUCOM-JTQLQIEISA-N	-1	0	291.373	0.508	20	30		CCEDRM
CCC[C@H](NS(=O)(=O)N(CC)CCC#N)C(=O)[O-]	ZINC000263484501	330057401	/nfs/dbraw/zinc/05/74/01/330057401.db2.gz	MAHMPDMJQIBKNG-VIFPVBQESA-N	-1	0	277.346	0.310	20	30		CCEDRM
CC(C)C[C@H](NS(=O)(=O)N(C)[C@@H](C)CC#N)C(=O)[O-]	ZINC000263540915	330059133	/nfs/dbraw/zinc/05/91/33/330059133.db2.gz	CRUPXTNMNSZVJQ-UWVGGRQHSA-N	-1	0	291.373	0.554	20	30		CCEDRM
CC(C)[C@H](NS(=O)(=O)CC1(CC#N)CC1)C(=O)[O-]	ZINC000263563096	330059565	/nfs/dbraw/zinc/05/95/65/330059565.db2.gz	TVFCLDIESXKQKH-VIFPVBQESA-N	-1	0	274.342	0.709	20	30		CCEDRM
C=C(C)CN(CC)C(=O)C(=O)N1C[C@H](C(=O)[O-])C[C@H](C)C1	ZINC000422715110	330151672	/nfs/dbraw/zinc/15/16/72/330151672.db2.gz	RUFDZLKEBDOAEY-NWDGAFQWSA-N	-1	0	296.367	0.980	20	30		CCEDRM
C=CCCCN(C)C(=O)C(=O)N(C)C[C@@H](C)C(=O)[O-]	ZINC000422833738	330156853	/nfs/dbraw/zinc/15/68/53/330156853.db2.gz	MVFVJRDCFQOBRA-SNVBAGLBSA-N	-1	0	270.329	0.590	20	30		CCEDRM
CN(CCC#N)S(=O)(=O)NCCCC(C)(C)C(=O)[O-]	ZINC000548541266	330276262	/nfs/dbraw/zinc/27/62/62/330276262.db2.gz	ALKRVSIVIKLYGU-UHFFFAOYSA-N	-1	0	291.373	0.557	20	30		CCEDRM
C[C@@H]1CCCN(S(=O)(=O)CCCC#N)[C@@H]1C(=O)[O-]	ZINC000424364134	330347684	/nfs/dbraw/zinc/34/76/84/330347684.db2.gz	CUBRCBQSNCBONQ-ZJUUUORDSA-N	-1	0	274.342	0.805	20	30		CCEDRM
C=C[C@@H](CO)NC(=O)NCC(CC)(CC)C(=O)[O-]	ZINC000424434058	330351800	/nfs/dbraw/zinc/35/18/00/330351800.db2.gz	SOOZHUXWDYPMDK-VIFPVBQESA-N	-1	0	258.318	0.724	20	30		CCEDRM
CCC[C@@H](NS(=O)(=O)CC1(CC#N)CC1)C(=O)OC	ZINC000451382502	331026562	/nfs/dbraw/zinc/02/65/62/331026562.db2.gz	WVQWWVVAOHNCTL-SNVBAGLBSA-N	-1	0	288.369	0.941	20	30		CCEDRM
COc1n[n-]c(=NC(=O)N(C)CC(C)(C)C#N)s1	ZINC000455273754	331163832	/nfs/dbraw/zinc/16/38/32/331163832.db2.gz	RORKCLOPPIXADR-UHFFFAOYSA-N	-1	0	269.330	0.982	20	30		CCEDRM
C#C[C@H]1COCCN1C(=O)c1ccc([N+](=O)[O-])cc1[O-]	ZINC000491653390	332266050	/nfs/dbraw/zinc/26/60/50/332266050.db2.gz	NTUYVIAWRUSCGZ-VIFPVBQESA-N	-1	0	276.248	0.775	20	30		CCEDRM
C#C[C@H](CC)NC(=O)N=c1ccc(-c2ccnn2C)n[n-]1	ZINC000491732751	332314040	/nfs/dbraw/zinc/31/40/40/332314040.db2.gz	CGXQJGZGJQQXPC-SNVBAGLBSA-N	-1	0	284.323	0.832	20	30		CCEDRM
C#C[C@H]1COCCN1C(=O)N=c1nc([C@@H](C)OC)[n-]s1	ZINC000491778592	332343506	/nfs/dbraw/zinc/34/35/06/332343506.db2.gz	GHEOTMAPQQBUOH-BDAKNGLRSA-N	-1	0	296.352	0.533	20	30		CCEDRM
CC#CCS(=O)(=O)[N-]C(=O)/C=C/c1cnccc1C	ZINC000493043200	332423962	/nfs/dbraw/zinc/42/39/62/332423962.db2.gz	DOVGHXOHLNPCQI-AATRIKPKSA-N	-1	0	278.333	0.873	20	30		CCEDRM
CC#CCS(=O)(=O)[N-]C(=O)/C=C/c1ccc(C)cn1	ZINC000493388494	332438105	/nfs/dbraw/zinc/43/81/05/332438105.db2.gz	OWQCQZQLPICDBF-BQYQJAHWSA-N	-1	0	278.333	0.873	20	30		CCEDRM
Cn1cc([N-]S(=O)(=O)CCC(C)(C)C#N)c(C(N)=O)n1	ZINC000516575184	332601555	/nfs/dbraw/zinc/60/15/55/332601555.db2.gz	YJRGOVTUQILDMD-UHFFFAOYSA-N	-1	0	299.356	0.201	20	30		CCEDRM
Cc1[n-][nH]c(=NC(=O)C2(C(=O)NC3CC3)CCC2)c1C#N	ZINC000575775063	335114134	/nfs/dbraw/zinc/11/41/34/335114134.db2.gz	SZLSTCUZMQIUBJ-UHFFFAOYSA-N	-1	0	287.323	0.399	20	30		CCEDRM
CC(C)[C@H](C(=O)[O-])[C@H](C)NS(=O)(=O)N(C)CCC#N	ZINC000521613049	333179857	/nfs/dbraw/zinc/17/98/57/333179857.db2.gz	QQQILZAKMXRWCI-UWVGGRQHSA-N	-1	0	291.373	0.412	20	30		CCEDRM
C=CCSCCNC(=O)N1C[C@H](OC)C[C@H]1C(=O)[O-]	ZINC000231957357	333332323	/nfs/dbraw/zinc/33/23/23/333332323.db2.gz	QZPQRMKBCZHGDB-ZJUUUORDSA-N	-1	0	288.369	0.789	20	30		CCEDRM
C=CCCS(=O)(=O)N1CCN(C(C)(C)C(=O)[O-])CC1	ZINC000530140767	333525560	/nfs/dbraw/zinc/52/55/60/333525560.db2.gz	KKARYCFGXBJHMP-UHFFFAOYSA-N	-1	0	290.385	0.373	20	30		CCEDRM
C=CCOC[C@@H](NS(=O)(=O)CC(=C)C)C(=O)[O-]	ZINC000576156831	335161780	/nfs/dbraw/zinc/16/17/80/335161780.db2.gz	LNUFAPYDPZEODE-SECBINFHSA-N	-1	0	263.315	0.138	20	30		CCEDRM
CC[C@@](C)(C#N)NC(=O)Cc1n[n-]c(=NC)s1	ZINC000544738796	333944853	/nfs/dbraw/zinc/94/48/53/333944853.db2.gz	JMYNAQSSCHGEMC-JTQLQIEISA-N	-1	0	253.331	0.353	20	30		CCEDRM
C[C@H](CCCNS(=O)(=O)CCCC#N)C(=O)[O-]	ZINC000548228793	334146768	/nfs/dbraw/zinc/14/67/68/334146768.db2.gz	MNKLTTYYBZHHOS-SECBINFHSA-N	-1	0	262.331	0.710	20	30		CCEDRM
CN(CCC#N)S(=O)(=O)N[C@@H]1CCC[C@]1(C)C(=O)[O-]	ZINC000548545857	334162406	/nfs/dbraw/zinc/16/24/06/334162406.db2.gz	WFBGEIGKDPLUIA-KOLCDFICSA-N	-1	0	289.357	0.310	20	30		CCEDRM
C[C@H](CCNS(=O)(=O)CC1(C#N)CC1)CC(=O)[O-]	ZINC000548596071	334163165	/nfs/dbraw/zinc/16/31/65/334163165.db2.gz	CHQXIDPSIMKXGF-SECBINFHSA-N	-1	0	274.342	0.710	20	30		CCEDRM
CCC[C@H](O)[C@H](NS(=O)(=O)CCCCC#N)C(=O)[O-]	ZINC000548592331	334163237	/nfs/dbraw/zinc/16/32/37/334163237.db2.gz	CKZQWMUMOLRNIN-UWVGGRQHSA-N	-1	0	292.357	0.214	20	30		CCEDRM
CC[C@@H]1[C@@H](C(=O)[O-])CCN1S(=O)(=O)N(C)CCC#N	ZINC000554412617	334429241	/nfs/dbraw/zinc/42/92/41/334429241.db2.gz	FENSPHDBSUONFZ-VHSXEESVSA-N	-1	0	289.357	0.262	20	30		CCEDRM
C=CCNc1ncc(C(=O)N[C@H](CC)C(=O)[O-])s1	ZINC000564967876	334531340	/nfs/dbraw/zinc/53/13/40/334531340.db2.gz	QRXWDODKXXMPRF-SSDOTTSWSA-N	-1	0	269.326	0.756	20	30		CCEDRM
C=CCCCS(=O)(=O)N[C@@]1(C(=O)[O-])CCSC1	ZINC000565715447	334590597	/nfs/dbraw/zinc/59/05/97/334590597.db2.gz	YJCYNSWYQPOUIK-JTQLQIEISA-N	-1	0	279.383	0.832	20	30		CCEDRM
C[C@@H](CC#N)N(C)S(=O)(=O)NCC(C)(C)C(=O)[O-]	ZINC000568889236	334845468	/nfs/dbraw/zinc/84/54/68/334845468.db2.gz	PZCYSKGPHXUFQS-QMMMGPOBSA-N	-1	0	277.346	0.166	20	30		CCEDRM
C=C(C)COCCNC(=O)N(CCOC)CC(=O)[O-]	ZINC000166869367	334918640	/nfs/dbraw/zinc/91/86/40/334918640.db2.gz	AUAMJFCBYUHSOX-UHFFFAOYSA-N	-1	0	274.317	0.322	20	30		CCEDRM
C[C@@H]1CCN(S(=O)(=O)CC2(CC#N)CC2)[C@@H]1C(=O)[O-]	ZINC000577519260	335363943	/nfs/dbraw/zinc/36/39/43/335363943.db2.gz	UCLLMFNZPQOQMN-ZJUUUORDSA-N	-1	0	286.353	0.805	20	30		CCEDRM
C=C[C@@H](CCC(=O)[O-])NS(=O)(=O)N(C)C[C@H](C)C#N	ZINC000578446636	335635566	/nfs/dbraw/zinc/63/55/66/335635566.db2.gz	YLFRCQCUIISBQQ-ZJUUUORDSA-N	-1	0	289.357	0.332	20	30		CCEDRM
C[C@@H](C(=O)[O-])C1CN(S(=O)(=O)N(C)[C@@H](C)CC#N)C1	ZINC000580776941	335965692	/nfs/dbraw/zinc/96/56/92/335965692.db2.gz	DUBLIHZXZZWUQT-DTWKUNHWSA-N	-1	0	289.357	0.118	20	30		CCEDRM
C=CCCS(=O)(=O)N1[C@@H](C)SC[C@H]1C(=O)[O-]	ZINC000381529670	336067589	/nfs/dbraw/zinc/06/75/89/336067589.db2.gz	YKIIWFADNHYMFB-SFYZADRCSA-N	-1	0	265.356	0.740	20	30		CCEDRM
C=CCOCCCC(=O)N1CCOC[C@@H]1C(=O)[O-]	ZINC000262558151	534872400	/nfs/dbraw/zinc/87/24/00/534872400.db2.gz	YTWBVHPGBILGHE-SNVBAGLBSA-N	-1	0	257.286	0.281	20	30		CCEDRM
C=C[C@@H]1OCCC[C@H]1NC(=O)N1CCO[C@H](C(=O)[O-])C1	ZINC000666550583	545125284	/nfs/dbraw/zinc/12/52/84/545125284.db2.gz	DDNNVQJIGRGHNB-VWYCJHECSA-N	-1	0	284.312	0.215	20	30		CCEDRM
C=CC[C@H](NS(=O)(=O)N1CC[C@H](C)C1)C(=O)[O-]	ZINC000681558713	545456149	/nfs/dbraw/zinc/45/61/49/545456149.db2.gz	VSMWIRVXRVHINY-IUCAKERBSA-N	-1	0	262.331	0.192	20	30		CCEDRM
C=CCS(=O)(=O)[N-]C(=O)c1cccc(CC(=O)OC)c1	ZINC000778693122	581163693	/nfs/dbraw/zinc/16/36/93/581163693.db2.gz	TYCNZWQOSKXVJD-UHFFFAOYSA-N	-1	0	297.332	0.648	20	30		CCEDRM
CCN(CC(=O)N1CCN(C2CC2)[C@@H](C#N)C1)C(=O)[O-]	ZINC000739394829	581129562	/nfs/dbraw/zinc/12/95/62/581129562.db2.gz	ULHJJGJYKOHICG-NSHDSACASA-N	-1	0	280.328	0.185	20	30		CCEDRM
C=CCS(=O)(=O)[N-]C(=O)c1cccc(F)c1C#N	ZINC000778692857	581163496	/nfs/dbraw/zinc/16/34/96/581163496.db2.gz	MWZRKBKIFARIFE-UHFFFAOYSA-N	-1	0	268.269	0.943	20	30		CCEDRM
CC(C)(C#N)CS(=O)(=O)[N-]C(=O)[C@]1(C)CCCO1	ZINC000776147235	581180803	/nfs/dbraw/zinc/18/08/03/581180803.db2.gz	XPNHVIDGNSJRCH-NSHDSACASA-N	-1	0	274.342	0.551	20	30		CCEDRM
N#Cc1cccc(-c2cc(C(=O)[N-]N3CN=NC3=O)on2)c1	ZINC000790912755	581202391	/nfs/dbraw/zinc/20/23/91/581202391.db2.gz	UTAQROBLZKRTJB-UHFFFAOYSA-N	-1	0	296.246	0.894	20	30		CCEDRM
C[C@H]1CN=C(NN=Cc2ccc([N+](=O)[O-])c([O-])c2)N1	ZINC000779802280	581206867	/nfs/dbraw/zinc/20/68/67/581206867.db2.gz	FHMQJYSBRQSOLF-ZETCQYMHSA-N	-1	0	263.257	0.572	20	30		CCEDRM
C#CCCS(=O)(=O)[N-]C(=O)c1ccc2c(c1)OCO2	ZINC000791108038	581207537	/nfs/dbraw/zinc/20/75/37/581207537.db2.gz	JUXSKPUSORIZEP-UHFFFAOYSA-N	-1	0	281.289	0.498	20	30		CCEDRM
CC#CCS(=O)(=O)[N-]C(=O)c1cccc(OC)c1F	ZINC000791105483	581207538	/nfs/dbraw/zinc/20/75/38/581207538.db2.gz	DAOHIEPMSBMIIZ-UHFFFAOYSA-N	-1	0	285.296	0.917	20	30		CCEDRM
C=CCCOCC(=O)[N-]S(=O)(=O)[C@H]1CCCOC1	ZINC000780609124	581236304	/nfs/dbraw/zinc/23/63/04/581236304.db2.gz	YSEWNRKMAAAMIZ-JTQLQIEISA-N	-1	0	277.342	0.204	20	30		CCEDRM
Cn1cc(C#N)cc1C(=O)[N-]S(=O)(=O)[C@H]1CCCOC1	ZINC000780618084	581236937	/nfs/dbraw/zinc/23/69/37/581236937.db2.gz	WFURRSIUFMIIQQ-JTQLQIEISA-N	-1	0	297.336	0.135	20	30		CCEDRM
C#Cc1cccc(NC(=S)NN2CC(=O)NC2=O)c1	ZINC000726447641	581240256	/nfs/dbraw/zinc/24/02/56/581240256.db2.gz	FGOZLKZYUKCIKP-UHFFFAOYSA-N	-1	0	274.305	0.421	20	30		CCEDRM
COC1(C(=O)[N-]S(=O)(=O)c2cccc(C#N)c2)CCC1	ZINC000781756453	581276785	/nfs/dbraw/zinc/27/67/85/581276785.db2.gz	JCTNUBGNKSPYCY-UHFFFAOYSA-N	-1	0	294.332	0.932	20	30		CCEDRM
CC[C@@H](NN=Cc1ccc(C(=O)N(C)C)[nH]1)C(=O)[O-]	ZINC000793057143	581282686	/nfs/dbraw/zinc/28/26/86/581282686.db2.gz	LNDQPMUFSUCWDB-SECBINFHSA-N	-1	0	266.301	0.503	20	30		CCEDRM
CC[C@H](NN=Cc1cccn1CC(=O)OC)C(=O)[O-]	ZINC000793080307	581283790	/nfs/dbraw/zinc/28/37/90/581283790.db2.gz	XFCWEGCFADXAKR-JTQLQIEISA-N	-1	0	267.285	0.448	20	30		CCEDRM
C[C@@H]1CC(=O)CC[C@H]1C(=O)[N-]S(=O)(=O)CC1(C#N)CC1	ZINC000793194586	581287760	/nfs/dbraw/zinc/28/77/60/581287760.db2.gz	QLQGHPWIGXKAPE-MWLCHTKSSA-N	-1	0	298.364	0.741	20	30		CCEDRM
N#CC1(CS(=O)(=O)[N-]C(=O)CC2CCOCC2)CC1	ZINC000793195089	581287762	/nfs/dbraw/zinc/28/77/62/581287762.db2.gz	GIEXLWKHOCURJM-UHFFFAOYSA-N	-1	0	286.353	0.553	20	30		CCEDRM
N#CC1(CS(=O)(=O)[N-]C(=O)[C@@H]2C[C@]23CCOC3)CC1	ZINC000793194675	581287861	/nfs/dbraw/zinc/28/78/61/581287861.db2.gz	URZKPIPFSGYDMT-CABZTGNLSA-N	-1	0	284.337	0.163	20	30		CCEDRM
Cc1nnc([S-])n(N=C[C@@H]2CCSC2)c1=O	ZINC000782133554	581289798	/nfs/dbraw/zinc/28/97/98/581289798.db2.gz	ZORMILRLQPNITO-ZETCQYMHSA-N	-1	0	256.356	0.822	20	30		CCEDRM
C[C@@H](Oc1ccc(C=NN[C@@H](C)CO)cc1)C(=O)[O-]	ZINC000794916112	581315058	/nfs/dbraw/zinc/31/50/58/581315058.db2.gz	RXURKTBYYNIIJO-VHSXEESVSA-N	-1	0	266.297	0.843	20	30		CCEDRM
N#CCCCS(=O)(=O)N1CCC[C@H](CNC(=O)[O-])C1	ZINC000740306692	581323187	/nfs/dbraw/zinc/32/31/87/581323187.db2.gz	JLKHKMVKYWOWEH-SNVBAGLBSA-N	-1	0	289.357	0.600	20	30		CCEDRM
C=CCCCS(=O)(=O)N[C@@H](C(=O)[O-])C1CCOCC1	ZINC000793969722	581324331	/nfs/dbraw/zinc/32/43/31/581324331.db2.gz	CZUIFCSFDOUGNB-LLVKDONJSA-N	-1	0	291.369	0.752	20	30		CCEDRM
N#Cc1c(-c2nnn[n-]2)nc(N)n1[C@@H]1C=CCCC1	ZINC000737705705	581327073	/nfs/dbraw/zinc/32/70/73/581327073.db2.gz	QEQNIDOSQUZHRY-SSDOTTSWSA-N	-1	0	256.273	0.798	20	30		CCEDRM
C#CCCN1CCN(C(=O)CN(CC)C(=O)[O-])CC1	ZINC000738457810	581332237	/nfs/dbraw/zinc/33/22/37/581332237.db2.gz	XRIGMBZIMSOIRY-UHFFFAOYSA-N	-1	0	267.329	0.154	20	30		CCEDRM
C#Cc1ccc(C(=O)NC(C)(C)CNC(=O)[O-])cn1	ZINC000738466506	581340812	/nfs/dbraw/zinc/34/08/12/581340812.db2.gz	BTELOKZXHWLNFV-UHFFFAOYSA-N	-1	0	261.281	0.839	20	30		CCEDRM
COCCNC(=O)C(C#N)=C([O-])c1cccc(C(C)=O)c1	ZINC000783349283	581345534	/nfs/dbraw/zinc/34/55/34/581345534.db2.gz	FNWNLSXKGDXFQK-ZDUSSCGKSA-N	-1	0	288.303	0.974	20	30		CCEDRM
N#CCn1cc([N-]c2ncc([N+](=O)[O-])c(N)n2)cn1	ZINC000728051489	581346284	/nfs/dbraw/zinc/34/62/84/581346284.db2.gz	MZHUFFUTYCWUDB-UHFFFAOYSA-N	-1	0	260.217	0.431	20	30		CCEDRM
C=CCN(CC(=O)OCC)C(=O)c1ccc(C(=O)[O-])nc1	ZINC000728167269	581352412	/nfs/dbraw/zinc/35/24/12/581352412.db2.gz	WFHXYXSNMBVFJO-UHFFFAOYSA-N	-1	0	292.291	0.971	20	30		CCEDRM
C=C(C)C[C@H](C)C(=O)[N-]S(=O)(=O)[C@@H](C)C(=O)OC	ZINC000797306253	581375383	/nfs/dbraw/zinc/37/53/83/581375383.db2.gz	PBDSCXNIRLWSQC-IUCAKERBSA-N	-1	0	277.342	0.596	20	30		CCEDRM
C[C@H]1COC(=O)C1=N[N-]c1ncccc1[N+](=O)[O-]	ZINC000794919466	581391124	/nfs/dbraw/zinc/39/11/24/581391124.db2.gz	ZDKSVJREUFVDOD-LURJTMIESA-N	-1	0	250.214	0.951	20	30		CCEDRM
N#CCCNS(=O)(=O)c1csc([N+](=O)[O-])c1	ZINC000785282099	581404266	/nfs/dbraw/zinc/40/42/66/581404266.db2.gz	CKTJWWLTBPFYQG-UHFFFAOYSA-N	-1	0	261.284	0.848	20	30		CCEDRM
C=CCS(=O)(=O)[N-]C(=O)c1ccc(-n2ccnc2)nc1	ZINC000786462042	581441676	/nfs/dbraw/zinc/44/16/76/581441676.db2.gz	KSNLPAGCTJAOCS-UHFFFAOYSA-N	-1	0	292.320	0.513	20	30		CCEDRM
CO[C@@H](C(=O)[N-]S(=O)(=O)c1cccc(C#N)c1)C1CC1	ZINC000796624813	581446749	/nfs/dbraw/zinc/44/67/49/581446749.db2.gz	CJDXNFSGGWAUPX-GFCCVEGCSA-N	-1	0	294.332	0.788	20	30		CCEDRM
N#CC(C(=O)NC1CC1)=C([O-])c1occ2c1CCOC2	ZINC000796794544	581450784	/nfs/dbraw/zinc/45/07/84/581450784.db2.gz	UQEPVWQKWTXJRL-LLVKDONJSA-N	-1	0	274.276	0.953	20	30		CCEDRM
C=CCC(CC=C)C(=O)[N-]S(=O)(=O)[C@@H](C)C(=O)OC	ZINC000797290918	581464119	/nfs/dbraw/zinc/46/41/19/581464119.db2.gz	ITBIYPKEOOSHKL-VIFPVBQESA-N	-1	0	289.353	0.762	20	30		CCEDRM
COCCO[N-]C(=O)C(=O)N[C@H](C)c1ccc(C#N)cc1	ZINC000787347078	581468569	/nfs/dbraw/zinc/46/85/69/581468569.db2.gz	FAIWNFDOGLLHPX-SNVBAGLBSA-N	-1	0	291.307	0.430	20	30		CCEDRM
N#Cc1ccc(CC(=O)Nc2n[nH]c(CC(=O)[O-])n2)cc1	ZINC000739118279	581507958	/nfs/dbraw/zinc/50/79/58/581507958.db2.gz	QCKPQPSGJJJKTD-UHFFFAOYSA-N	-1	0	285.263	0.485	20	30		CCEDRM
N#Cc1ccc(NC(=O)C(=O)NCCCC(=O)[O-])cc1	ZINC000739123873	581508503	/nfs/dbraw/zinc/50/85/03/581508503.db2.gz	XNQWYEQYFNETBY-UHFFFAOYSA-N	-1	0	275.264	0.478	20	30		CCEDRM
CN(C)S(=O)(=O)CC(=O)Nc1cc(C#N)ccc1[O-]	ZINC000752678330	581511885	/nfs/dbraw/zinc/51/18/85/581511885.db2.gz	FGDGYJMXDNAWKN-UHFFFAOYSA-N	-1	0	283.309	0.094	20	30		CCEDRM
CCn1cnc(S(=O)(=O)[N-]c2cnn(CC#N)c2)c1	ZINC000753072395	581526342	/nfs/dbraw/zinc/52/63/42/581526342.db2.gz	QHEIZIQHDYNWDC-UHFFFAOYSA-N	-1	0	280.313	0.424	20	30		CCEDRM
CCN(CC(=O)N[C@@]1(C#N)CCSC1)C(=O)[O-]	ZINC000739389427	581544964	/nfs/dbraw/zinc/54/49/64/581544964.db2.gz	NHWLXLIEAPCMJV-SNVBAGLBSA-N	-1	0	257.315	0.502	20	30		CCEDRM
CCN(C[C@H](C)C#N)C(=O)[C@@H]1CCN(C(=O)[O-])C1	ZINC000739404875	581547005	/nfs/dbraw/zinc/54/70/05/581547005.db2.gz	SQEHYTZSLJOGDB-NXEZZACHSA-N	-1	0	253.302	0.994	20	30		CCEDRM
CN(C[C@@H]1CCN(C(=O)C(C)(C)C#N)C1)C(=O)[O-]	ZINC000739641994	581586403	/nfs/dbraw/zinc/58/64/03/581586403.db2.gz	SBTJBPAXOKUSRP-VIFPVBQESA-N	-1	0	253.302	0.994	20	30		CCEDRM
C#CCCS(=O)(=O)[N-]C(=O)c1ccccc1OCC#N	ZINC000788067567	581610460	/nfs/dbraw/zinc/61/04/60/581610460.db2.gz	HAYQVDLFPGKFCW-UHFFFAOYSA-N	-1	0	292.316	0.672	20	30		CCEDRM
COCCN(CC(=O)N[C@H](C#N)CC(C)C)C(=O)[O-]	ZINC000739822070	581624471	/nfs/dbraw/zinc/62/44/71/581624471.db2.gz	IKQTZJZFORJNMJ-JTQLQIEISA-N	-1	0	271.317	0.667	20	30		CCEDRM
C=C(C)C[C@@H](C)C(=O)[N-]S(=O)(=O)[C@@H]1CCOC1	ZINC000767991379	581639773	/nfs/dbraw/zinc/63/97/73/581639773.db2.gz	SDQKIPZQLGJTSR-NXEZZACHSA-N	-1	0	261.343	0.824	20	30		CCEDRM
CC#CCCCC(=O)[N-]S(=O)(=O)[C@@H]1CCOC1	ZINC000767989429	581639937	/nfs/dbraw/zinc/63/99/37/581639937.db2.gz	KCDNRFIDIWARRM-SNVBAGLBSA-N	-1	0	259.327	0.415	20	30		CCEDRM
C#CCOc1ccc(C(=O)NCc2nnn[n-]2)cc1	ZINC000735381206	581641111	/nfs/dbraw/zinc/64/11/11/581641111.db2.gz	QWCNXZXKRTWDDK-UHFFFAOYSA-N	-1	0	257.253	0.142	20	30		CCEDRM
N#CCCCS(=O)(=O)N1CCC(NC(=O)[O-])CC1	ZINC000740308173	581662089	/nfs/dbraw/zinc/66/20/89/581662089.db2.gz	XBYLNXJELFQQLJ-UHFFFAOYSA-N	-1	0	275.330	0.352	20	30		CCEDRM
N#CCN1CCC(NC(=O)[C@@H]2CCCN2C(=O)[O-])CC1	ZINC000740304961	581662372	/nfs/dbraw/zinc/66/23/72/581662372.db2.gz	DQIVSCPJXSVRAA-NSHDSACASA-N	-1	0	280.328	0.233	20	30		CCEDRM
N#CCCCCS(=O)(=O)N1CC[C@@H](CNC(=O)[O-])C1	ZINC000740306886	581662962	/nfs/dbraw/zinc/66/29/62/581662962.db2.gz	MBPWTUKNZBJDFX-JTQLQIEISA-N	-1	0	289.357	0.600	20	30		CCEDRM
N#CC1(C(=O)NCCCNC(=O)[O-])CCOCC1	ZINC000740309759	581663912	/nfs/dbraw/zinc/66/39/12/581663912.db2.gz	NLJZSKIZEBDRFT-UHFFFAOYSA-N	-1	0	255.274	0.081	20	30		CCEDRM
N#CCSCC(=O)NCCN(C(=O)[O-])C1CC1	ZINC000740310524	581664082	/nfs/dbraw/zinc/66/40/82/581664082.db2.gz	MFBZEDNBMRGMJP-UHFFFAOYSA-N	-1	0	257.315	0.502	20	30		CCEDRM
N#Cc1ccc(C(=O)O[C@@H]2CCN(C(=O)[O-])C2)cn1	ZINC000740313253	581664385	/nfs/dbraw/zinc/66/43/85/581664385.db2.gz	SABHWTXCFOTMQX-SNVBAGLBSA-N	-1	0	261.237	0.862	20	30		CCEDRM
N#CCSCC(=O)OC[C@@H]1CCCN1C(=O)[O-]	ZINC000740311742	581664457	/nfs/dbraw/zinc/66/44/57/581664457.db2.gz	YGQOSASOOIWKBO-QMMMGPOBSA-N	-1	0	258.299	0.929	20	30		CCEDRM
N#Cc1ccc(C(=O)N2CC[C@H](NC(=O)[O-])C2)cn1	ZINC000740312271	581664583	/nfs/dbraw/zinc/66/45/83/581664583.db2.gz	BWPFFYPJGGUWAJ-JTQLQIEISA-N	-1	0	260.253	0.435	20	30		CCEDRM
N#Cc1ccc(C(=O)N2CC[C@H](CNC(=O)[O-])C2)cn1	ZINC000740313497	581664766	/nfs/dbraw/zinc/66/47/66/581664766.db2.gz	NFUXPVUAUIHXFG-SECBINFHSA-N	-1	0	274.280	0.683	20	30		CCEDRM
N#Cc1ccc(OCC(=O)NC2CN(C(=O)[O-])C2)cc1	ZINC000740319355	581665088	/nfs/dbraw/zinc/66/50/88/581665088.db2.gz	PLKHMDAGVBSJPF-UHFFFAOYSA-N	-1	0	275.264	0.415	20	30		CCEDRM
C#CCN1CCC[C@H]1C(=O)NC1CCC(C(=O)[O-])CC1	ZINC000736078653	581685968	/nfs/dbraw/zinc/68/59/68/581685968.db2.gz	DHMXBOXEKSLYKI-BPCQOVAHSA-N	-1	0	278.352	0.844	20	30		CCEDRM
C=C(COC(=O)[C@H](NC(=O)[O-])C(C)C)C(=O)OCC	ZINC000736094508	581702126	/nfs/dbraw/zinc/70/21/26/581702126.db2.gz	ISETYOODMKFBDT-SECBINFHSA-N	-1	0	273.285	0.941	20	30		CCEDRM
CC[C@@](C)(C#N)NC(=O)c1ccc(-c2nn[nH]n2)cn1	ZINC000736315213	581736774	/nfs/dbraw/zinc/73/67/74/581736774.db2.gz	XARGXLKJNIYKLK-LBPRGKRZSA-N	-1	0	271.284	0.684	20	30		CCEDRM
Cc1csc(C(C#N)=C([O-])COC(=O)[C@@H](O)C2CC2)n1	ZINC000730879382	581742932	/nfs/dbraw/zinc/74/29/32/581742932.db2.gz	QZSNMZSYIBISFC-KOLCDFICSA-N	-1	0	294.332	0.942	20	30		CCEDRM
Cn1ccnc1C([O-])=C(C#N)C(=O)C[C@H]1CCCO1	ZINC000770730034	581765091	/nfs/dbraw/zinc/76/50/91/581765091.db2.gz	HQIWGFRMONNDDI-ZJUUUORDSA-N	-1	0	261.281	0.881	20	30		CCEDRM
CCCC(=O)NCC(=O)C(C#N)=C([O-])c1nccn1C	ZINC000770861979	581775643	/nfs/dbraw/zinc/77/56/43/581775643.db2.gz	KWOIHQCBEAAGQQ-SECBINFHSA-N	-1	0	276.296	0.228	20	30		CCEDRM
COCC#CCOC(=O)C(C)(C)[N-]C(=O)C(F)(F)F	ZINC000759130690	581783704	/nfs/dbraw/zinc/78/37/04/581783704.db2.gz	RXWVWZIISIZMIE-UHFFFAOYSA-N	-1	0	281.230	0.637	20	30		CCEDRM
C[C@@H](CC(=O)N(CC#N)CC(=O)[O-])NC(=O)C1CCCC1	ZINC000736544387	581788218	/nfs/dbraw/zinc/78/82/18/581788218.db2.gz	FSZJODFBHROBPN-JTQLQIEISA-N	-1	0	295.339	0.508	20	30		CCEDRM
C#CCCCC(=O)[N-]S(=O)(=O)c1cnn(C)c1	ZINC000759426154	581798355	/nfs/dbraw/zinc/79/83/55/581798355.db2.gz	NLYWVJOHMYIRBN-UHFFFAOYSA-N	-1	0	255.299	0.029	20	30		CCEDRM
N#Cc1ccc(CC(=O)N2CCO[C@@H](c3nnn[n-]3)C2)cc1	ZINC000732091606	581802765	/nfs/dbraw/zinc/80/27/65/581802765.db2.gz	KHAAUZBCZRGORP-GFCCVEGCSA-N	-1	0	298.306	0.214	20	30		CCEDRM
C#CCOCCC(=O)OCc1n[n-]c(C)cc1=O	ZINC000788042775	581806474	/nfs/dbraw/zinc/80/64/74/581806474.db2.gz	KDDAJZOSRHGTFT-UHFFFAOYSA-N	-1	0	250.254	0.574	20	30		CCEDRM
C=CCNC(=O)C(C#N)=C([O-])c1cccc(C(=O)NC)c1	ZINC000744031159	581830484	/nfs/dbraw/zinc/83/04/84/581830484.db2.gz	RRGJNNDMRXYOKH-GFCCVEGCSA-N	-1	0	285.303	0.671	20	30		CCEDRM
C=CCCO[C@@H](C)C(=O)[N-]S(=O)(=O)CC(F)(F)F	ZINC000744263292	581836951	/nfs/dbraw/zinc/83/69/51/581836951.db2.gz	HTROKXILVNJTGW-ZETCQYMHSA-N	-1	0	289.275	0.976	20	30		CCEDRM
C=CCS(=O)(=O)[N-]C(=O)Cc1ccc2c(c1)OCCO2	ZINC000772718551	581886287	/nfs/dbraw/zinc/88/62/87/581886287.db2.gz	PXBFKAWSWPHCQZ-UHFFFAOYSA-N	-1	0	297.332	0.632	20	30		CCEDRM
C=CCS(=O)(=O)[N-]C(=O)c1ccc(C(=O)OC)s1	ZINC000772721239	581886542	/nfs/dbraw/zinc/88/65/42/581886542.db2.gz	IEUMFICBGZMXMN-UHFFFAOYSA-N	-1	0	289.334	0.780	20	30		CCEDRM
C=CCS(=O)(=O)[N-]C(=O)c1cc(C)n(C)c1C	ZINC000772724268	581887171	/nfs/dbraw/zinc/88/71/71/581887171.db2.gz	WVFVVYOMWMAFAL-UHFFFAOYSA-N	-1	0	256.327	0.888	20	30		CCEDRM
CC(C)(C#N)CS(=O)(=O)[N-]C(=O)c1cncnc1	ZINC000761144384	581891887	/nfs/dbraw/zinc/89/18/87/581891887.db2.gz	PYTGNCZEQBPKNM-UHFFFAOYSA-N	-1	0	268.298	0.086	20	30		CCEDRM
CCNC(=O)CN[C@H](C(=O)[O-])c1ccc(C#N)cc1	ZINC000737121061	581911236	/nfs/dbraw/zinc/91/12/36/581911236.db2.gz	CWFUFWRKOMCVCZ-LBPRGKRZSA-N	-1	0	261.281	0.410	20	30		CCEDRM
N#Cc1ccc2c(c1)NC(=O)/C2=C/c1cn(CC(=O)[O-])nn1	ZINC000773159943	581911867	/nfs/dbraw/zinc/91/18/67/581911867.db2.gz	IXQQEQSIVMTHAE-NYYWCZLTSA-N	-1	0	295.258	0.727	20	30		CCEDRM
COc1ccc(C(=O)N(CC#N)CC(=O)[O-])cc1F	ZINC000737920871	581920809	/nfs/dbraw/zinc/92/08/09/581920809.db2.gz	NNGDXPZHSABNLI-UHFFFAOYSA-N	-1	0	266.228	0.885	20	30		CCEDRM
C=CCN(CC(=O)[O-])C(=O)CS(=O)(=O)CCCCC	ZINC000762069945	581930366	/nfs/dbraw/zinc/93/03/66/581930366.db2.gz	ZMZOATMKBVKODR-UHFFFAOYSA-N	-1	0	291.369	0.691	20	30		CCEDRM
CN(C(=O)COC(=O)[C@@H]1C[C@H]1C(=O)[O-])C(C)(C)C#N	ZINC000737322926	581944448	/nfs/dbraw/zinc/94/44/48/581944448.db2.gz	SAOZYZVHBLSLCL-HTQZYQBOSA-N	-1	0	268.269	0.011	20	30		CCEDRM
CN(C)c1cc(C(=O)N(CC#N)CC(=O)[O-])cc(Cl)n1	ZINC000737374099	581950051	/nfs/dbraw/zinc/95/00/51/581950051.db2.gz	MKRUDDLNFQMDJU-UHFFFAOYSA-N	-1	0	296.714	0.851	20	30		CCEDRM
C[C@H]1COCC[C@@H]1C(=O)[N-]S(=O)(=O)CCCC#N	ZINC000774175230	581963112	/nfs/dbraw/zinc/96/31/12/581963112.db2.gz	ZXMKGACXSYYGHV-UWVGGRQHSA-N	-1	0	274.342	0.409	20	30		CCEDRM
CN1CCN([C@@H](C(=O)[O-])c2ccc(C#N)cc2)CC1=O	ZINC000737515564	581970874	/nfs/dbraw/zinc/97/08/74/581970874.db2.gz	LJQYDZBJADBOCQ-CYBMUJFWSA-N	-1	0	273.292	0.458	20	30		CCEDRM
C=CCS(=O)(=O)[N-]C(=O)c1ccc(C(=O)OC)cc1	ZINC000763033574	581979279	/nfs/dbraw/zinc/97/92/79/581979279.db2.gz	KQIHMQHBUYXHIC-UHFFFAOYSA-N	-1	0	283.305	0.719	20	30		CCEDRM
COc1cc(C(=O)N(CC#N)CC(=O)[O-])ccc1[N+](=O)[O-]	ZINC000737844087	582002807	/nfs/dbraw/zinc/00/28/07/582002807.db2.gz	HNHMDJKEAWBJJF-UHFFFAOYSA-N	-1	0	293.235	0.654	20	30		CCEDRM
COc1ccc([C@H](NCC(=O)NCCC#N)C(=O)[O-])cc1	ZINC000737970043	582011070	/nfs/dbraw/zinc/01/10/70/582011070.db2.gz	HXVZKFSCIDPNPA-ZDUSSCGKSA-N	-1	0	291.307	0.440	20	30		CCEDRM
C[C@@H](CO)NN=Cc1ccc(OCC(=O)[O-])cc1	ZINC000749814485	582023210	/nfs/dbraw/zinc/02/32/10/582023210.db2.gz	PSMGVSCUZYUJAK-VIFPVBQESA-N	-1	0	252.270	0.454	20	30		CCEDRM
COc1ccccc1OCC(=O)N(CC#N)CC(=O)[O-]	ZINC000738135306	582023683	/nfs/dbraw/zinc/02/36/83/582023683.db2.gz	AVLGNSXTYRIDNI-UHFFFAOYSA-N	-1	0	278.264	0.511	20	30		CCEDRM
C#CCOc1cccc(NC(=O)NOCC(N)=O)c1	ZINC000775520739	582027475	/nfs/dbraw/zinc/02/74/75/582027475.db2.gz	ZTCMEMXVIQIHEG-UHFFFAOYSA-N	-1	0	263.253	0.237	20	30		CCEDRM
Cc1cc(C(=O)N(CC#N)CC(=O)[O-])ccc1-n1cncn1	ZINC000738320245	582035774	/nfs/dbraw/zinc/03/57/74/582035774.db2.gz	PSNKHSALRRQFIX-UHFFFAOYSA-N	-1	0	299.290	0.626	20	30		CCEDRM
N#CCn1c(C(=O)NCC(=O)[O-])cc2ccccc21	ZINC000738424978	582048355	/nfs/dbraw/zinc/04/83/55/582048355.db2.gz	IPNYZYDXFARLHD-UHFFFAOYSA-N	-1	0	257.249	0.979	20	30		CCEDRM
N#Cc1ccc(CNC(=O)CCNC(=O)[O-])c(F)c1	ZINC000738431915	582048950	/nfs/dbraw/zinc/04/89/50/582048950.db2.gz	BOROZKRVPCPVSG-UHFFFAOYSA-N	-1	0	265.244	0.971	20	30		CCEDRM
N#Cc1cnccc1NC(=O)[C@H]1CCCN(C(=O)[O-])C1	ZINC000738434901	582048999	/nfs/dbraw/zinc/04/89/99/582048999.db2.gz	GIBSAWBZGXMNMV-VIFPVBQESA-N	-1	0	274.280	0.704	20	30		CCEDRM
N#Cc1cccc(OCCN2CCO[C@@H](C(=O)[O-])C2)c1	ZINC000738433831	582049117	/nfs/dbraw/zinc/04/91/17/582049117.db2.gz	LZLYSPHLLMKEOO-CYBMUJFWSA-N	-1	0	276.292	0.722	20	30		CCEDRM
N#CCCCS(=O)(=O)[N-]C(=O)Cc1ccco1	ZINC000776119154	582052214	/nfs/dbraw/zinc/05/22/14/582052214.db2.gz	FQSLARZDFMXZTD-UHFFFAOYSA-N	-1	0	256.283	0.572	20	30		CCEDRM
N#CCCCS(=O)(=O)[N-]C(=O)c1ccc2c(c1)CCO2	ZINC000776118654	582052410	/nfs/dbraw/zinc/05/24/10/582052410.db2.gz	UOBDMEUWOGBTIZ-UHFFFAOYSA-N	-1	0	294.332	0.985	20	30		CCEDRM
CCNC(=O)CCCC(=O)[N-]S(=O)(=O)CCCC#N	ZINC000776117534	582052488	/nfs/dbraw/zinc/05/24/88/582052488.db2.gz	SNSHXKBDNPQOGE-UHFFFAOYSA-N	-1	0	289.357	0.043	20	30		CCEDRM
Cc1cc(C(=O)[N-]S(=O)(=O)CCCC#N)n(C)n1	ZINC000776123706	582052674	/nfs/dbraw/zinc/05/26/74/582052674.db2.gz	ULSVRNIQKILKRG-UHFFFAOYSA-N	-1	0	270.314	0.092	20	30		CCEDRM
C=CCOCC(=O)[N-]S(=O)(=O)c1ccc2c(c1)COC2	ZINC000776127196	582052812	/nfs/dbraw/zinc/05/28/12/582052812.db2.gz	JCMQSIFUNWRTRJ-UHFFFAOYSA-N	-1	0	297.332	0.724	20	30		CCEDRM
C#CCN1CCC[C@H]1C(=O)N1C[C@H](C)N(C(=O)[O-])[C@@H](C)C1	ZINC000738461256	582052981	/nfs/dbraw/zinc/05/29/81/582052981.db2.gz	QDXGLBWCUBRTMV-AVGNSLFASA-N	-1	0	293.367	0.683	20	30		CCEDRM
C#CCNC(=O)N[C@@H](C)[C@H]1CCCN(C(=O)[O-])C1	ZINC000738463116	582053830	/nfs/dbraw/zinc/05/38/30/582053830.db2.gz	NEKFWRCIJXTQEC-UWVGGRQHSA-N	-1	0	253.302	0.697	20	30		CCEDRM
CC(C)(C#N)CS(=O)(=O)[N-]C(=O)C[C@H]1CCCO1	ZINC000776140779	582053948	/nfs/dbraw/zinc/05/39/48/582053948.db2.gz	KJTJYEMVLBLLGI-SECBINFHSA-N	-1	0	274.342	0.551	20	30		CCEDRM
C=CCNC(=O)C(C)(C)N1CCN(C(=O)[O-])CC1	ZINC000738492420	582056097	/nfs/dbraw/zinc/05/60/97/582056097.db2.gz	QWCCDUCERUMQBM-UHFFFAOYSA-N	-1	0	255.318	0.363	20	30		CCEDRM
C=CCNC(=O)C(=O)Nc1ccc(NC(=O)[O-])nc1	ZINC000738493132	582056185	/nfs/dbraw/zinc/05/61/85/582056185.db2.gz	XVJRUXDLSHVKRK-UHFFFAOYSA-N	-1	0	264.241	0.412	20	30		CCEDRM
C=CCOCC(=O)NC[C@@H]1[C@H](C)OC(C)(C)N1C(=O)[O-]	ZINC000738491955	582056187	/nfs/dbraw/zinc/05/61/87/582056187.db2.gz	QJCHEWKOADDNRJ-VHSXEESVSA-N	-1	0	286.328	0.809	20	30		CCEDRM
COc1ccc(NN=Cc2cn(CC(=O)[O-])nn2)cc1	ZINC000750922012	582064796	/nfs/dbraw/zinc/06/47/96/582064796.db2.gz	MIIAJIIXDLSDJZ-UHFFFAOYSA-N	-1	0	275.268	0.817	20	30		CCEDRM
N#Cc1c[nH]c(C(=O)N2CCSC[C@@H]2c2nnn[n-]2)c1	ZINC000776565247	582078373	/nfs/dbraw/zinc/07/83/73/582078373.db2.gz	REZMKZTZNMEOCR-SECBINFHSA-N	-1	0	289.324	0.330	20	30		CCEDRM
CC(C)N(CCC(=O)NC1CCN(CC#N)CC1)C(=O)[O-]	ZINC000738840582	582082117	/nfs/dbraw/zinc/08/21/17/582082117.db2.gz	AKCHNEOQUQPQJY-UHFFFAOYSA-N	-1	0	296.371	0.869	20	30		CCEDRM
N#Cc1ccc(CSCC(=O)[N-]OCCO)cc1	ZINC000776585454	582082184	/nfs/dbraw/zinc/08/21/84/582082184.db2.gz	SFBQZAGSZFJPCD-UHFFFAOYSA-N	-1	0	266.322	0.832	20	30		CCEDRM
C=CCN(CC(=O)[O-])S(=O)(=O)c1cnc(Cl)n1C	ZINC000776681349	582086863	/nfs/dbraw/zinc/08/68/63/582086863.db2.gz	VUAZYVRAQQNGDO-UHFFFAOYSA-N	-1	0	293.732	0.335	20	30		CCEDRM
N#CCN(CC(=O)[O-])C(=O)COCC(F)(F)F	ZINC000739079143	582098919	/nfs/dbraw/zinc/09/89/19/582098919.db2.gz	RXRCCGQGVBZZFU-UHFFFAOYSA-N	-1	0	254.164	0.002	20	30		CCEDRM
N#CCN(CC(=O)[O-])C(=O)Cc1ccc(F)cc1	ZINC000739078134	582101388	/nfs/dbraw/zinc/10/13/88/582101388.db2.gz	ANHXOZGQTUSJQD-UHFFFAOYSA-N	-1	0	250.229	0.805	20	30		CCEDRM
COc1cccc(C([O-])=C(C#N)C(=O)NC(C)C)n1	ZINC000752161849	582101995	/nfs/dbraw/zinc/10/19/95/582101995.db2.gz	WQYXBYCPYUXVIG-SECBINFHSA-N	-1	0	261.281	0.937	20	30		CCEDRM
N#Cc1cc(C(=O)[O-])cn(CC(=O)NCC2CCC2)c1=O	ZINC000739093787	582102396	/nfs/dbraw/zinc/10/23/96/582102396.db2.gz	SWAJVFHJEOYMKM-UHFFFAOYSA-N	-1	0	289.291	0.334	20	30		CCEDRM
N#Cc1ccc([C@@H](OC(=O)C2(C(N)=O)CC2)C(=O)[O-])cc1	ZINC000739109118	582103042	/nfs/dbraw/zinc/10/30/42/582103042.db2.gz	KAEWUDNKTWXWPX-SNVBAGLBSA-N	-1	0	288.259	0.493	20	30		CCEDRM
O=C([O-])Cn1cc(C=NNCc2ccccc2)nn1	ZINC000768483456	582107278	/nfs/dbraw/zinc/10/72/78/582107278.db2.gz	QWHAPMCDKSUVRQ-UHFFFAOYSA-N	-1	0	259.269	0.486	20	30		CCEDRM
CCCCS(=O)(=O)N1CCN(C(=O)[O-])C[C@@H]1C#N	ZINC000826847930	614467468	/nfs/dbraw/zinc/46/74/68/614467468.db2.gz	PREAYOJOFQLNQJ-VIFPVBQESA-N	-1	0	275.330	0.304	20	30		CCEDRM
CCC[C@H](C#N)NC(=O)[C@]1(F)CCN(C(=O)[O-])C1	ZINC000826705915	615033293	/nfs/dbraw/zinc/03/32/93/615033293.db2.gz	JGWGAPWHDNMICU-KCJUWKMLSA-N	-1	0	257.265	0.887	20	30		CCEDRM
Cc1cc(C(=O)CN(CC#N)CC(=O)[O-])c(C)n1C	ZINC000832858343	601595101	/nfs/dbraw/zinc/59/51/01/601595101.db2.gz	CNBRSBVISHHJQC-UHFFFAOYSA-N	-1	0	263.297	0.735	20	30		CCEDRM
C#CCCCNC(=O)N[C@@H](C[C@@H]1CCCO1)C(=O)[O-]	ZINC000909026753	612981971	/nfs/dbraw/zinc/98/19/71/612981971.db2.gz	AQDQTZOBBOGRBJ-QWRGUYRKSA-N	-1	0	268.313	0.721	20	30		CCEDRM
C#CCCCNC(=O)N[C@@]1(C(=O)[O-])CCSC1	ZINC000909027300	612982285	/nfs/dbraw/zinc/98/22/85/612982285.db2.gz	HKEWJZNVZYSWFT-NSHDSACASA-N	-1	0	256.327	0.659	20	30		CCEDRM
C[C@H](CC(=O)[O-])C(=O)[C@@H](C#N)C(=O)Nc1ccccn1	ZINC000827241806	602184757	/nfs/dbraw/zinc/18/47/57/602184757.db2.gz	YOMCVYBFDHVTFQ-RKDXNWHRSA-N	-1	0	275.264	0.840	20	30		CCEDRM
N#Cc1c(F)cccc1S(=O)(=O)NCCC(=O)[O-]	ZINC000070393924	597131739	/nfs/dbraw/zinc/13/17/39/597131739.db2.gz	PUPODXBUYLTZBR-UHFFFAOYSA-N	-1	0	272.257	0.450	20	30		CCEDRM
N#Cc1ccc(NCCNC(=O)NCCC(=O)[O-])nc1	ZINC000819100655	597215632	/nfs/dbraw/zinc/21/56/32/597215632.db2.gz	XTFLSHPJYNHBFD-UHFFFAOYSA-N	-1	0	277.284	0.139	20	30		CCEDRM
Cc1cccc(NC(=O)C(=O)NCC(=O)[O-])c1C#N	ZINC000818944241	597251412	/nfs/dbraw/zinc/25/14/12/597251412.db2.gz	JWUHZCBEZDNPKU-UHFFFAOYSA-N	-1	0	261.237	0.006	20	30		CCEDRM
N#Cc1c(F)cccc1S(=O)(=O)NCCCC(=O)[O-]	ZINC000070393926	597311603	/nfs/dbraw/zinc/31/16/03/597311603.db2.gz	ZONOSAIMQHASQK-UHFFFAOYSA-N	-1	0	286.284	0.840	20	30		CCEDRM
C[C@H](NC(=O)C(=O)Nc1ccc(C#N)cc1)C(=O)[O-]	ZINC000818017721	597518913	/nfs/dbraw/zinc/51/89/13/597518913.db2.gz	FBBZDANUMZVBLW-ZETCQYMHSA-N	-1	0	261.237	0.086	20	30		CCEDRM
C[C@H](NC(=O)C(=O)Nc1ccc(Cl)c(C#N)c1)C(=O)[O-]	ZINC000818017708	597519214	/nfs/dbraw/zinc/51/92/14/597519214.db2.gz	DNZLZPNEHXQECY-LURJTMIESA-N	-1	0	295.682	0.739	20	30		CCEDRM
C#CCOCCNC(=O)N1C[C@H](C)C[C@@H](C(=O)[O-])C1	ZINC000817876443	612986770	/nfs/dbraw/zinc/98/67/70/612986770.db2.gz	LDTGFMUHTHPMKX-GHMZBOCLSA-N	-1	0	268.313	0.388	20	30		CCEDRM
Cc1cc(COC(=O)[C@](C)(C#N)CC(=O)[O-])ncn1	ZINC000820976347	597603991	/nfs/dbraw/zinc/60/39/91/597603991.db2.gz	BZYRPJDFHSZQKB-LBPRGKRZSA-N	-1	0	263.253	0.833	20	30		CCEDRM
C[C@H](Cn1cccn1)NC(=O)[C@@](C)(C#N)CC(=O)[O-]	ZINC000820106894	597633265	/nfs/dbraw/zinc/63/32/65/597633265.db2.gz	BSGPUTPXHWPDHA-BXKDBHETSA-N	-1	0	264.285	0.392	20	30		CCEDRM
C[C@@H](NC(=O)[C@@](C)(C#N)CC(=O)[O-])C(=O)NC(C)(C)C	ZINC000820115473	597637696	/nfs/dbraw/zinc/63/76/96/597637696.db2.gz	WUFNMULUGJGFEN-AMIZOPFISA-N	-1	0	283.328	0.410	20	30		CCEDRM
C[C@@](C#N)(CC(=O)[O-])C(=O)N1CCCC2(C1)OCCO2	ZINC000819811864	597657962	/nfs/dbraw/zinc/65/79/62/597657962.db2.gz	WEOQLKBMLXSSPD-LBPRGKRZSA-N	-1	0	282.296	0.356	20	30		CCEDRM
C[C@](C#N)(CC(=O)[O-])C(=O)N1CCC[C@@H](CCO)C1	ZINC000819810464	597659322	/nfs/dbraw/zinc/65/93/22/597659322.db2.gz	BKDUOXHQQHQEMY-GXFFZTMASA-N	-1	0	268.313	0.612	20	30		CCEDRM
N#Cc1ccc([C@@H](O)C(=O)N2CCC(C(=O)[O-])CC2)cc1	ZINC000821329885	597667769	/nfs/dbraw/zinc/66/77/69/597667769.db2.gz	NIXJLIMKIOONPZ-CYBMUJFWSA-N	-1	0	288.303	0.915	20	30		CCEDRM
C[C@@](C#N)(CC(=O)[O-])C(=O)N[C@@H](CO)CC1CC1	ZINC000819823034	597671040	/nfs/dbraw/zinc/67/10/40/597671040.db2.gz	RGTVZXBPQMRPLK-SKDRFNHKSA-N	-1	0	254.286	0.268	20	30		CCEDRM
C[C@@](C#N)(CC(=O)[O-])C(=O)N1CCOCC2(CC2)C1	ZINC000819823395	597722500	/nfs/dbraw/zinc/72/25/00/597722500.db2.gz	UHRYBKSBCRKKCY-LBPRGKRZSA-N	-1	0	266.297	0.630	20	30		CCEDRM
N#Cc1cn(CC(=O)NCC(=O)[O-])c2ccccc2c1=O	ZINC000821340434	597754684	/nfs/dbraw/zinc/75/46/84/597754684.db2.gz	IPJGQERFVIFWJY-UHFFFAOYSA-N	-1	0	285.259	0.074	20	30		CCEDRM
C=CCNC(=O)CNC(=O)Nc1ccccc1CC(=O)[O-]	ZINC000393836009	598198437	/nfs/dbraw/zinc/19/84/37/598198437.db2.gz	MBZQHVXIBOVFSR-UHFFFAOYSA-N	-1	0	291.307	0.737	20	30		CCEDRM
Cc1cc(NC(=O)N[C@H](C)C(=O)[O-])nn1CCC#N	ZINC000821023587	598198631	/nfs/dbraw/zinc/19/86/31/598198631.db2.gz	BOJBKEFJVDNOEQ-MRVPVSSYSA-N	-1	0	265.273	0.700	20	30		CCEDRM
C[C@](C#N)(CC(=O)[O-])C(=O)Nc1cc(C(N)=O)ccc1F	ZINC000819847470	598224182	/nfs/dbraw/zinc/22/41/82/598224182.db2.gz	MSRXTIXKWFLJEY-CYBMUJFWSA-N	-1	0	293.254	0.868	20	30		CCEDRM
C[C@@](C#N)(CC(=O)[O-])C(=O)NC1CCC2(CC1)OCCO2	ZINC000819822527	598224207	/nfs/dbraw/zinc/22/42/07/598224207.db2.gz	OUGRSYPZTVYKQE-ZDUSSCGKSA-N	-1	0	296.323	0.793	20	30		CCEDRM
C[C@](C#N)(CC(=O)[O-])C(=O)NC[C@H]1CCCOC1	ZINC000819833520	598224578	/nfs/dbraw/zinc/22/45/78/598224578.db2.gz	HPNJSSHEZCAERZ-BXKDBHETSA-N	-1	0	254.286	0.534	20	30		CCEDRM
C[C@](C#N)(CC(=O)[O-])C(=O)Nc1cccc(C(N)=O)n1	ZINC000819857151	598228134	/nfs/dbraw/zinc/22/81/34/598228134.db2.gz	SOGGGSQPFOECHW-GFCCVEGCSA-N	-1	0	276.252	0.124	20	30		CCEDRM
C[C@H](NC(=O)[C@@](C)(C#N)CC(=O)[O-])[C@H]1CCOC1	ZINC000820115130	598228778	/nfs/dbraw/zinc/22/87/78/598228778.db2.gz	UDOVKJWEYFNPBU-HOTUBEGUSA-N	-1	0	254.286	0.532	20	30		CCEDRM
C#CCO[N-]C(=O)[C@H](CCCC)NC(=O)NCC	ZINC000855606730	612992946	/nfs/dbraw/zinc/99/29/46/612992946.db2.gz	OYBXWPUZGIBQGP-JTQLQIEISA-N	-1	0	255.318	0.545	20	30		CCEDRM
C#CCOc1cccc(NC(=O)C(=O)[N-]OCC)c1	ZINC000134751199	613007363	/nfs/dbraw/zinc/00/73/63/613007363.db2.gz	FJGGSGNPVZWLOF-UHFFFAOYSA-N	-1	0	262.265	0.705	20	30		CCEDRM
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CC(C)n1cc(S(=O)(=O)N(CC#N)CC(=O)[O-])cn1	ZINC000827186491	600754973	/nfs/dbraw/zinc/75/49/73/600754973.db2.gz	MAMPXZGRAAGLAM-UHFFFAOYSA-N	-1	0	286.313	0.063	20	30		CCEDRM
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N#CCc1ccc(NC(=O)Cn2cc(C(=O)[O-])nn2)cc1	ZINC000090717025	601195027	/nfs/dbraw/zinc/19/50/27/601195027.db2.gz	JFQIDDWPICLWGU-UHFFFAOYSA-N	-1	0	285.263	0.681	20	30		CCEDRM
N#CCN(CC(=O)[O-])C[C@@H](O)COCc1cccs1	ZINC000833067814	601242329	/nfs/dbraw/zinc/24/23/29/601242329.db2.gz	YLVHRWQLSQCKNG-SNVBAGLBSA-N	-1	0	284.337	0.536	20	30		CCEDRM
C[C@@H]1CCC[C@@](C#N)(NC(=O)Cn2cc(C(=O)[O-])nn2)C1	ZINC000828232368	601287188	/nfs/dbraw/zinc/28/71/88/601287188.db2.gz	GNNQTALHVFZWEF-NOZJJQNGSA-N	-1	0	291.311	0.565	20	30		CCEDRM
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C[C@H](CC#N)NS(=O)(=O)CC1(CC(=O)[O-])CC1	ZINC000827219467	601511256	/nfs/dbraw/zinc/51/12/56/601511256.db2.gz	ZOPYOIGUULEWQA-MRVPVSSYSA-N	-1	0	260.315	0.463	20	30		CCEDRM
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N#Cc1ccc(C(=O)N2CCOC[C@@H]2C(=O)[O-])s1	ZINC000833070502	601606522	/nfs/dbraw/zinc/60/65/22/601606522.db2.gz	JLELAIJVYLHSCG-MRVPVSSYSA-N	-1	0	266.278	0.545	20	30		CCEDRM
COC[C@@](C)(NC(=O)Cc1ccc(C#N)cc1)C(=O)[O-]	ZINC000704665830	601697156	/nfs/dbraw/zinc/69/71/56/601697156.db2.gz	QYFPSRWFQYZJED-CQSZACIVSA-N	-1	0	276.292	0.707	20	30		CCEDRM
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C=CC1CCN(S(=O)(=O)C[C@@H](C)C(=O)[O-])CC1	ZINC000825659915	601789239	/nfs/dbraw/zinc/78/92/39/601789239.db2.gz	LEJDBUWJFZSSKU-SECBINFHSA-N	-1	0	261.343	0.935	20	30		CCEDRM
Cc1cc(C)n(-c2nncn2N=Cc2c[nH]c(C(=O)[O-])c2)n1	ZINC000814774466	601796816	/nfs/dbraw/zinc/79/68/16/601796816.db2.gz	OPOHVSOMBQONFI-UHFFFAOYSA-N	-1	0	299.294	0.989	20	30		CCEDRM
N#Cc1ccc([C@@H](O)CN2CCOC[C@H]2C(=O)[O-])cc1	ZINC000833072587	602048120	/nfs/dbraw/zinc/04/81/20/602048120.db2.gz	OGAKRBKYDBLRFZ-STQMWFEESA-N	-1	0	276.292	0.377	20	30		CCEDRM
C#CC1(F)CN(C(=O)c2ccc3oc(=O)nc-3[n-]2)C1	ZINC000919940242	612949268	/nfs/dbraw/zinc/94/92/68/612949268.db2.gz	QHHPSAXTBPZTDI-UHFFFAOYSA-N	-1	0	261.212	0.726	20	30		CCEDRM
C#CC1(NC(=O)[C@H]2CC[C@@H](C(=O)[O-])O2)CCCC1	ZINC000887316365	612950323	/nfs/dbraw/zinc/95/03/23/612950323.db2.gz	OVDOCCKMNYJJHG-ZJUUUORDSA-N	-1	0	251.282	0.681	20	30		CCEDRM
N#CCN1CCC(NC(=O)CN(CC2CC2)C(=O)[O-])CC1	ZINC000831102851	602882584	/nfs/dbraw/zinc/88/25/84/602882584.db2.gz	WPPDKBWUCZSSHM-UHFFFAOYSA-N	-1	0	294.355	0.481	20	30		CCEDRM
C[C@H](CC(=O)Nc1ccn(CCC#N)n1)NC(=O)[O-]	ZINC000824711107	602959945	/nfs/dbraw/zinc/95/99/45/602959945.db2.gz	QGKPNMIVVRAZAX-MRVPVSSYSA-N	-1	0	265.273	0.781	20	30		CCEDRM
C#CCNC(=O)[C@H](C)OC(=O)[C@@H]1CCC[C@@H]1NC(=O)[O-]	ZINC000823456918	612951064	/nfs/dbraw/zinc/95/10/64/612951064.db2.gz	SBOCPSBWNDIAFQ-AEJSXWLSSA-N	-1	0	282.296	0.104	20	30		CCEDRM
N#C[C@@H]1CN(C(=O)[O-])CCN1C(=O)COc1ccccc1	ZINC000831082519	603591683	/nfs/dbraw/zinc/59/16/83/603591683.db2.gz	MTENYEBIEWSXMD-LLVKDONJSA-N	-1	0	289.291	0.780	20	30		CCEDRM
Cc1ccc(C(=O)N2CCN(C(=O)[O-])C[C@@H]2C#N)o1	ZINC000830198754	603592462	/nfs/dbraw/zinc/59/24/62/603592462.db2.gz	NNXMKJSNSNIDMF-VIFPVBQESA-N	-1	0	263.253	0.916	20	30		CCEDRM
N#CCN1CCN(C(=O)[C@H]2CCC[C@@H](NC(=O)[O-])C2)CC1	ZINC000831102822	603626689	/nfs/dbraw/zinc/62/66/89/603626689.db2.gz	VNNNDAHJENVSCC-NWDGAFQWSA-N	-1	0	294.355	0.481	20	30		CCEDRM
N#C[C@H]1CN(C(=O)[O-])CCN1CCOC[C@H]1CCCO1	ZINC000831092671	603728562	/nfs/dbraw/zinc/72/85/62/603728562.db2.gz	XTPPHJCVUVUSTK-NWDGAFQWSA-N	-1	0	283.328	0.370	20	30		CCEDRM
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C[C@H](C#N)C(=O)NC[C@H]1[C@@H](C)OC(C)(C)N1C(=O)[O-]	ZINC000823647754	603810969	/nfs/dbraw/zinc/81/09/69/603810969.db2.gz	NICIBZSRJJFVAT-HLTSFMKQSA-N	-1	0	269.301	0.766	20	30		CCEDRM
C[C@@H]1CN(C(=O)[O-])CCN1C(=O)c1cc(C#N)c[nH]1	ZINC000826026793	603890565	/nfs/dbraw/zinc/89/05/65/603890565.db2.gz	OAWOTBJGCWMSTE-MRVPVSSYSA-N	-1	0	262.269	0.711	20	30		CCEDRM
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N#Cc1ncn(CC(=O)N[C@@H](CC(=O)[O-])c2ccccc2)n1	ZINC000833079124	604271392	/nfs/dbraw/zinc/27/13/92/604271392.db2.gz	UFFVBEKBLWMCLH-NSHDSACASA-N	-1	0	299.290	0.482	20	30		CCEDRM
Cc1nc(CC(=O)N(CC#N)CC(=O)[O-])c(C)s1	ZINC000832997249	604284759	/nfs/dbraw/zinc/28/47/59/604284759.db2.gz	VAIZIMHEZRXJRE-UHFFFAOYSA-N	-1	0	267.310	0.739	20	30		CCEDRM
C[C@@H](NC(=O)[O-])[C@@H]1CN(C(=O)c2cc(C#N)c[nH]2)CCO1	ZINC000825325062	604447956	/nfs/dbraw/zinc/44/79/56/604447956.db2.gz	ISYKEOVEASYECR-KCJUWKMLSA-N	-1	0	292.295	0.383	20	30		CCEDRM
C[C@H](NC(=O)[O-])[C@H]1CN(c2nccnc2C#N)CCO1	ZINC000825372748	604452275	/nfs/dbraw/zinc/45/22/75/604452275.db2.gz	QZIKZQOXCOIURT-WCBMZHEXSA-N	-1	0	277.284	0.210	20	30		CCEDRM
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Cc1c(C#N)cccc1NC(=O)C(=O)NCCC(=O)[O-]	ZINC000818763278	604540276	/nfs/dbraw/zinc/54/02/76/604540276.db2.gz	ZUAXHCDYYOKQFM-UHFFFAOYSA-N	-1	0	275.264	0.396	20	30		CCEDRM
C[C@H](C(=O)N(CC#N)CC(=O)[O-])C1CCOCC1	ZINC000833402437	604559283	/nfs/dbraw/zinc/55/92/83/604559283.db2.gz	MJNQVGVSYOTSLW-VIFPVBQESA-N	-1	0	254.286	0.486	20	30		CCEDRM
C=C(C)CN(CC)C(=O)CN[C@](C)(COC)C(=O)[O-]	ZINC000328487048	604616162	/nfs/dbraw/zinc/61/61/62/604616162.db2.gz	MLOLFZJQYUPMOD-CYBMUJFWSA-N	-1	0	272.345	0.490	20	30		CCEDRM
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N#C[C@@H]1CSCCN1C(=O)[C@H]1CCCN(C(=O)[O-])C1	ZINC000833968209	605973172	/nfs/dbraw/zinc/97/31/72/605973172.db2.gz	USAQZJUUPYKAPL-VHSXEESVSA-N	-1	0	283.353	0.844	20	30		CCEDRM
N#CCN1CCC[C@@H](CNC(=O)CN(C(=O)[O-])C2CC2)C1	ZINC000833967853	605989535	/nfs/dbraw/zinc/98/95/35/605989535.db2.gz	VBOSBVMCVCPMRY-NSHDSACASA-N	-1	0	294.355	0.481	20	30		CCEDRM
N#C[C@@H]1COCCN1C(=O)CCC1CCN(C(=O)[O-])CC1	ZINC000833967600	606059033	/nfs/dbraw/zinc/05/90/33/606059033.db2.gz	ROQQVWAEQQCWPL-GFCCVEGCSA-N	-1	0	295.339	0.908	20	30		CCEDRM
N#CC1(NC(=O)CCOC2CN(C(=O)[O-])C2)CCCC1	ZINC000833962872	606077235	/nfs/dbraw/zinc/07/72/35/606077235.db2.gz	BJUOJDUBPJWCNM-UHFFFAOYSA-N	-1	0	281.312	0.708	20	30		CCEDRM
N#C[C@@H]1CCC[C@@H]1Nc1nccnc1-c1nnn[n-]1	ZINC000822806385	606242654	/nfs/dbraw/zinc/24/26/54/606242654.db2.gz	MDDSZKINYZDIBJ-YUMQZZPRSA-N	-1	0	256.273	0.761	20	30		CCEDRM
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N#Cc1nc(NC(=O)CCc2ccoc2)[n-]c1-c1nn[nH]n1	ZINC000822815716	606606477	/nfs/dbraw/zinc/60/64/77/606606477.db2.gz	YNNSQGPLXHRMHF-UHFFFAOYSA-N	-1	0	298.266	0.626	20	30		CCEDRM
C#CC[C@H](NC(=O)[C@@H](O)c1cccc(OC)c1)C(=O)[O-]	ZINC000910052447	613068780	/nfs/dbraw/zinc/06/87/80/613068780.db2.gz	YAIYXZZDPYCHKN-RYUDHWBXSA-N	-1	0	277.276	0.321	20	30		CCEDRM
C#CC[C@H](NC(=O)[C@H]1CCCC[C@@H]1OC)C(=O)[O-]	ZINC000910050684	613069404	/nfs/dbraw/zinc/06/94/04/613069404.db2.gz	NPDVXJVDIIXZHJ-DCAQKATOSA-N	-1	0	253.298	0.784	20	30		CCEDRM
C#C[C@@H](CCC)NC(=O)CCCn1c(=O)[n-][nH]c1=O	ZINC000907711910	613084802	/nfs/dbraw/zinc/08/48/02/613084802.db2.gz	DWLWMZNRZBAXNI-VIFPVBQESA-N	-1	0	266.301	0.388	20	30		CCEDRM
C#CCN(CC(=O)[O-])S(=O)(=O)c1cccc(F)c1C	ZINC000849219393	613103971	/nfs/dbraw/zinc/10/39/71/613103971.db2.gz	SQPNSTRSTQUFMS-UHFFFAOYSA-N	-1	0	285.296	0.843	20	30		CCEDRM
C[C@]1(C#N)CCCN(c2nccnc2-c2nnn[n-]2)C1	ZINC000824777430	609600170	/nfs/dbraw/zinc/60/01/70/609600170.db2.gz	IQTVQARFYBOCHR-GFCCVEGCSA-N	-1	0	270.300	0.787	20	30		CCEDRM
C#C[C@@H]1COCCN1C(=O)NC[C@H](C(=O)[O-])C(C)C	ZINC000848592758	613109991	/nfs/dbraw/zinc/10/99/91/613109991.db2.gz	ZXSLCWIEPLWDRF-MNOVXSKESA-N	-1	0	268.313	0.387	20	30		CCEDRM
C=C(Cl)C[C@H](NC(=O)CN1CSCC1=O)C(=O)[O-]	ZINC000864181547	613390591	/nfs/dbraw/zinc/39/05/91/613390591.db2.gz	CWCBGAKBOZYAIP-ZETCQYMHSA-N	-1	0	292.744	0.231	20	30		CCEDRM
COc1cc(OC)c(C=NNCC(=O)[O-])cc1F	ZINC000844600652	617210731	/nfs/dbraw/zinc/21/07/31/617210731.db2.gz	XLBGQPFBGKKCKB-UHFFFAOYSA-N	-1	0	256.233	0.851	20	30		CCEDRM
CC(C)OC(=O)[C@H](C)CNC(=O)[C@](C)(C#N)CC(=O)[O-]	ZINC000820030036	613997111	/nfs/dbraw/zinc/99/71/11/613997111.db2.gz	YCPMBDSQRMRMGA-RNCFNFMXSA-N	-1	0	284.312	0.695	20	30		CCEDRM
CC(C)CCN(CCC#N)CC(=O)NCC(=O)[O-]	ZINC000826848829	614026337	/nfs/dbraw/zinc/02/63/37/614026337.db2.gz	GZIHNVNIYHTLAQ-UHFFFAOYSA-N	-1	0	255.318	0.449	20	30		CCEDRM
CC(C)[C@@H](NC(=O)[O-])C(=O)NC[C@H]1CCCN(CC#N)C1	ZINC000824138000	614124724	/nfs/dbraw/zinc/12/47/24/614124724.db2.gz	YNMVVZBXTCETDJ-VXGBXAGGSA-N	-1	0	296.371	0.630	20	30		CCEDRM
CC(C)[C@@H](N[C@H](C(=O)[O-])c1cccc(C#N)c1)C(N)=O	ZINC000826715802	614129869	/nfs/dbraw/zinc/12/98/69/614129869.db2.gz	GOZVEECMNDQQNH-NEPJUHHUSA-N	-1	0	275.308	0.783	20	30		CCEDRM
C#CCCCC(=O)N1CCC[C@@]1(COC)C(=O)[O-]	ZINC000909938581	612974732	/nfs/dbraw/zinc/97/47/32/612974732.db2.gz	ROISMFFBBZSTOA-CYBMUJFWSA-N	-1	0	253.298	0.882	20	30		CCEDRM
CC(C)[C@H](CO)O[N-]C(=O)CNc1ccc(C#N)cn1	ZINC000836893867	614212258	/nfs/dbraw/zinc/21/22/58/614212258.db2.gz	OKWOSZOLFIUKFW-NSHDSACASA-N	-1	0	278.312	0.430	20	30		CCEDRM
C#CCCCCC(=O)[N-]S(=O)(=O)c1cncc(C#N)c1	ZINC000813978062	612975766	/nfs/dbraw/zinc/97/57/66/612975766.db2.gz	ACLGMUQMCYRLBE-UHFFFAOYSA-N	-1	0	291.332	0.952	20	30		CCEDRM
C#CCCCC[N-]S(=O)(=O)c1nn(C)cc1[N+](=O)[O-]	ZINC000859061452	612978540	/nfs/dbraw/zinc/97/85/40/612978540.db2.gz	HWSBHBQHOOMAEX-UHFFFAOYSA-N	-1	0	286.313	0.410	20	30		CCEDRM
COc1ccc(C(=O)[N-]S(=O)(=O)CCC#N)o1	ZINC000847706943	617231130	/nfs/dbraw/zinc/23/11/30/617231130.db2.gz	BZAYWUQZNDXIIZ-UHFFFAOYSA-N	-1	0	258.255	0.261	20	30		CCEDRM
COc1cccc(C(=O)[N-]S(=O)(=O)CCC#N)c1F	ZINC000821584155	617292312	/nfs/dbraw/zinc/29/23/12/617292312.db2.gz	STLJERWXARQQIC-UHFFFAOYSA-N	-1	0	286.284	0.808	20	30		CCEDRM
C#CC1(O)CN(C(=O)c2cc(F)c(F)c([O-])c2F)C1	ZINC000890524108	612959013	/nfs/dbraw/zinc/95/90/13/612959013.db2.gz	FZDSYSHXRYHWMZ-UHFFFAOYSA-N	-1	0	271.194	0.630	20	30		CCEDRM
C#CCCc1cc(=O)n([C@@H]2CCCS(=O)(=O)C2)[n-]1	ZINC000899357779	612974423	/nfs/dbraw/zinc/97/44/23/612974423.db2.gz	MUYOHUYBTVAGLT-LLVKDONJSA-N	-1	0	268.338	0.565	20	30		CCEDRM
C#CCCCC(=O)N[C@]1(CC(=O)[O-])CCCOC1	ZINC000909697185	612975258	/nfs/dbraw/zinc/97/52/58/612975258.db2.gz	FYPXHSLIHWYZBV-ZDUSSCGKSA-N	-1	0	253.298	0.930	20	30		CCEDRM
C#CCCCS(=O)(=O)[N-]c1ncc(OC)cn1	ZINC000820802673	612985444	/nfs/dbraw/zinc/98/54/44/612985444.db2.gz	XZGNIEWVBBUIJT-UHFFFAOYSA-N	-1	0	255.299	0.640	20	30		CCEDRM
C#CCO[N-]C(=O)C1(C(=O)OCC)CCOCC1	ZINC000812784084	612991905	/nfs/dbraw/zinc/99/19/05/612991905.db2.gz	ULPSQJQBPRIPBN-UHFFFAOYSA-N	-1	0	255.270	0.027	20	30		CCEDRM
C#CCO[N-]C(=O)CS(=O)(=O)c1ccc(Cl)cc1	ZINC000812785278	612992167	/nfs/dbraw/zinc/99/21/67/612992167.db2.gz	KHWJDHMCXNAZOS-UHFFFAOYSA-N	-1	0	287.724	0.795	20	30		CCEDRM
C#CCO[N-]C(=O)[C@H]1CN(C)C(=O)c2ccccc21	ZINC000812784440	612993128	/nfs/dbraw/zinc/99/31/28/612993128.db2.gz	OBBFATHCPRTOBJ-LBPRGKRZSA-N	-1	0	258.277	0.537	20	30		CCEDRM
C#CCO[N-]C(=O)c1nn(CC)c2ccccc2c1=O	ZINC000812785284	612993692	/nfs/dbraw/zinc/99/36/92/612993692.db2.gz	YGXAQQGBHMZTLA-UHFFFAOYSA-N	-1	0	271.276	0.711	20	30		CCEDRM
C#CCO[C@H](C)C(=O)[N-]S(=O)(=O)C1(CC=C)CC1	ZINC000835450209	613002169	/nfs/dbraw/zinc/00/21/69/613002169.db2.gz	XXZIZJZXCIRSQR-SNVBAGLBSA-N	-1	0	271.338	0.579	20	30		CCEDRM
C#CCO[C@H](C)C(=O)[N-]S(=O)(=O)C1CCCCC1	ZINC000835114156	613002234	/nfs/dbraw/zinc/00/22/34/613002234.db2.gz	XVNWFWSCBBMHDB-SNVBAGLBSA-N	-1	0	273.354	0.803	20	30		CCEDRM
C#CCO[C@H](C)C(=O)N[C@@H](CC(=O)[O-])C(F)(F)F	ZINC000911163639	613002419	/nfs/dbraw/zinc/00/24/19/613002419.db2.gz	ZURKMJWBBHRNOT-RQJHMYQMSA-N	-1	0	267.203	0.547	20	30		CCEDRM
C#CCO[C@H](C)C(=O)N[C@@H]1CCCC[C@@H]1C(=O)[O-]	ZINC000910139511	613002825	/nfs/dbraw/zinc/00/28/25/613002825.db2.gz	SYOHTIUKGDDYMC-OUAUKWLOSA-N	-1	0	253.298	0.784	20	30		CCEDRM
C#CCO[C@H](C)C(=O)N[C@H](C(=O)[O-])c1ccccc1	ZINC000908269443	613002911	/nfs/dbraw/zinc/00/29/11/613002911.db2.gz	VWKISSVKNKWIMU-PWSUYJOCSA-N	-1	0	261.277	0.967	20	30		CCEDRM
C#CCOc1ccc(NC(=O)c2nc(=O)[nH][n-]2)cc1	ZINC000108452987	613007227	/nfs/dbraw/zinc/00/72/27/613007227.db2.gz	NKAQECLHQBFZGA-UHFFFAOYSA-N	-1	0	258.237	0.362	20	30		CCEDRM
C#CCOc1cccc(NC(=O)C(=O)N[C@H](C)C(=O)[O-])c1	ZINC000817675452	613007456	/nfs/dbraw/zinc/00/74/56/613007456.db2.gz	XIJIUVIXUWHKQH-SECBINFHSA-N	-1	0	290.275	0.226	20	30		CCEDRM
C#CC[C@@H](NC(=O)c1ccnn1C1CCOCC1)C(=O)[O-]	ZINC000910050853	613041914	/nfs/dbraw/zinc/04/19/14/613041914.db2.gz	OVTQBFKCILBDSC-LLVKDONJSA-N	-1	0	291.307	0.441	20	30		CCEDRM
C#CC[C@@H](NC(=O)c1ccnn1C1CCC1)C(=O)[O-]	ZINC000907720174	613042038	/nfs/dbraw/zinc/04/20/38/613042038.db2.gz	ZZDWPBOMBYVBHQ-SNVBAGLBSA-N	-1	0	261.281	0.814	20	30		CCEDRM
C#CCCS(=O)(=O)[N-]C(=O)Cc1ccc(C(C)=O)cc1	ZINC000810785239	613052961	/nfs/dbraw/zinc/05/29/61/613052961.db2.gz	CNXKSKVASMCKEG-UHFFFAOYSA-N	-1	0	293.344	0.901	20	30		CCEDRM
C#CCCS(=O)(=O)[N-]C(=O)[C@@H]1CC[C@@H](OC)C1	ZINC000850999761	613053115	/nfs/dbraw/zinc/05/31/15/613053115.db2.gz	IWUBIJBJBQYJKV-NXEZZACHSA-N	-1	0	259.327	0.271	20	30		CCEDRM
C#CCCS(=O)(=O)[N-]C(=O)[C@@H]1O[C@@H](C)C[C@H]1C	ZINC000810785541	613053206	/nfs/dbraw/zinc/05/32/06/613053206.db2.gz	LLHYTYVDGCDCDU-KXUCPTDWSA-N	-1	0	259.327	0.269	20	30		CCEDRM
C#CCCS(=O)(=O)[N-]C(=O)[C@H](OC)c1ccc(F)cc1	ZINC000860722182	613053314	/nfs/dbraw/zinc/05/33/14/613053314.db2.gz	TUYYBKIDUMQZLE-GFCCVEGCSA-N	-1	0	299.323	0.983	20	30		CCEDRM
C#CCCS(=O)(=O)[N-]C(=O)[C@H]1CSCCS1	ZINC000798202790	613053382	/nfs/dbraw/zinc/05/33/82/613053382.db2.gz	MLZYMEJHTVYBMQ-MRVPVSSYSA-N	-1	0	279.408	0.304	20	30		CCEDRM
C#CCCS(=O)(=O)[N-]C(=O)[C@H](OC)C1CCC1	ZINC000850999648	613053455	/nfs/dbraw/zinc/05/34/55/613053455.db2.gz	HXUMUJYCRNSLAT-SNVBAGLBSA-N	-1	0	259.327	0.271	20	30		CCEDRM
C#CCCS(=O)(=O)[N-]C(=O)c1cn(CC)nc1C1CC1	ZINC000870332166	613053719	/nfs/dbraw/zinc/05/37/19/613053719.db2.gz	SSSCFBAKUCIECC-UHFFFAOYSA-N	-1	0	295.364	0.863	20	30		CCEDRM
C#CCCS(=O)(=O)[N-]C(=O)c1cncc(COC)c1	ZINC000810784567	613053872	/nfs/dbraw/zinc/05/38/72/613053872.db2.gz	KBLOMJOABURMEI-UHFFFAOYSA-N	-1	0	282.321	0.311	20	30		CCEDRM
C#CCCS(=O)(=O)NCc1c(O)cccc1F	ZINC000921452499	613054619	/nfs/dbraw/zinc/05/46/19/613054619.db2.gz	QWMBOSXRCWUTCU-UHFFFAOYSA-N	-1	0	257.286	0.974	20	30		CCEDRM
C#CCC[C@H](O)CNC(=O)C(C)(C)[N-]C(=O)C(F)(F)F	ZINC000799084256	613060191	/nfs/dbraw/zinc/06/01/91/613060191.db2.gz	XVVBLELIAJXSAZ-QMMMGPOBSA-N	-1	0	294.273	0.334	20	30		CCEDRM
C#CC[C@H](NC(=O)CCCOc1cccnc1)C(=O)[O-]	ZINC000910051046	613067726	/nfs/dbraw/zinc/06/77/26/613067726.db2.gz	RDXXTTNAMKAURS-LBPRGKRZSA-N	-1	0	276.292	0.833	20	30		CCEDRM
C#CC[C@H](NC(=O)CCc1cncc(C)c1)C(=O)[O-]	ZINC000910051682	613067798	/nfs/dbraw/zinc/06/77/98/613067798.db2.gz	YJGQARLRWITJIW-LBPRGKRZSA-N	-1	0	260.293	0.915	20	30		CCEDRM
C#CC[C@H](NC(=O)C[C@H]1CC[C@H](C2CC2)O1)C(=O)[O-]	ZINC000923090048	613067995	/nfs/dbraw/zinc/06/79/95/613067995.db2.gz	PDVJVMSBLVUBBW-GRYCIOLGSA-N	-1	0	265.309	0.927	20	30		CCEDRM
C#CC[C@H](NC(=O)Nc1cnn(CC2CC2)c1)C(=O)[O-]	ZINC000908683629	613068431	/nfs/dbraw/zinc/06/84/31/613068431.db2.gz	BVHPAAUFPWPTRF-NSHDSACASA-N	-1	0	276.296	0.891	20	30		CCEDRM
C#CC[C@H](NC(=O)[C@@H](CC)N1CCO[C@@H](CC)C1)C(=O)[O-]	ZINC000910050098	613068532	/nfs/dbraw/zinc/06/85/32/613068532.db2.gz	FFOPDINNDORIPK-RWMBFGLXSA-N	-1	0	296.367	0.469	20	30		CCEDRM
C#CC[C@H](NC(=O)[C@@H]1C[C@@H]1c1cnn(C)c1)C(=O)[O-]	ZINC000910052636	613069119	/nfs/dbraw/zinc/06/91/19/613069119.db2.gz	DGYVGAJDEIYMJI-MXWKQRLJSA-N	-1	0	261.281	0.116	20	30		CCEDRM
C#CC[C@H](NC(=O)c1cccnc1N1CCCC1)C(=O)[O-]	ZINC000910050955	613070414	/nfs/dbraw/zinc/07/04/14/613070414.db2.gz	BPPNSASUIYONAT-LBPRGKRZSA-N	-1	0	287.319	0.888	20	30		CCEDRM
C#CC[C@H]1CCCN(C(=O)CCCn2c(=O)[n-][nH]c2=O)C1	ZINC000911515461	613071791	/nfs/dbraw/zinc/07/17/91/613071791.db2.gz	IAYYLMKMLYSECJ-NSHDSACASA-N	-1	0	292.339	0.731	20	30		CCEDRM
C#CC[C@H]1CCCN(C(=O)NCC(=O)[N-]OC)C1	ZINC000927215823	613072207	/nfs/dbraw/zinc/07/22/07/613072207.db2.gz	AXSWFZSYDHPWLE-JTQLQIEISA-N	-1	0	253.302	0.109	20	30		CCEDRM
C#CCN(C)S(=O)(=O)c1c(C)oc(C)c1C(=O)[O-]	ZINC000132261263	613079581	/nfs/dbraw/zinc/07/95/81/613079581.db2.gz	MELLKSLYEVCOLN-UHFFFAOYSA-N	-1	0	271.294	0.848	20	30		CCEDRM
C#C[C@@H](CO)[N-]S(=O)(=O)c1occc1Br	ZINC000916057547	613090687	/nfs/dbraw/zinc/09/06/87/613090687.db2.gz	SDNSKVHZIMQMMO-LURJTMIESA-N	-1	0	294.126	0.315	20	30		CCEDRM
C#C[C@@H](NC(=O)N[C@H]1C[C@@H](C(=O)[O-])C1)[C@@H]1CCCO1	ZINC000874399296	613097477	/nfs/dbraw/zinc/09/74/77/613097477.db2.gz	VESYVDRNJMZPRU-YTWAJWBKSA-N	-1	0	266.297	0.330	20	30		CCEDRM
C#CCN(CC#C)C(=O)CCN(C(=O)[O-])C(C)C	ZINC000823450575	613098675	/nfs/dbraw/zinc/09/86/75/613098675.db2.gz	DGKGWBLCBXAGFV-UHFFFAOYSA-N	-1	0	250.298	0.860	20	30		CCEDRM
C#C[C@@H](NC(=O)c1ccc(C(=O)[O-])cn1)[C@@H]1CCCO1	ZINC000911580620	613098935	/nfs/dbraw/zinc/09/89/35/613098935.db2.gz	SPFXFXBXBWNWOK-PWSUYJOCSA-N	-1	0	274.276	0.690	20	30		CCEDRM
C#C[C@@H](NC(=O)c1cncc(C(=O)[O-])c1)C1CCOCC1	ZINC000911794096	613099288	/nfs/dbraw/zinc/09/92/88/613099288.db2.gz	XQNFFVGGUOLDHB-CYBMUJFWSA-N	-1	0	288.303	0.938	20	30		CCEDRM
C#C[C@@H](OC(=O)[C@@H](NS(C)(=O)=O)C(C)(C)C)C1CC1	ZINC000152449475	613100793	/nfs/dbraw/zinc/10/07/93/613100793.db2.gz	MCGPDYJMTQZDOW-GHMZBOCLSA-N	-1	0	287.381	0.905	20	30		CCEDRM
C#CCN(CC(=O)[O-])S(=O)(=O)c1sccc1OC	ZINC000849219507	613103944	/nfs/dbraw/zinc/10/39/44/613103944.db2.gz	ZEGDWLRMEZWFSB-UHFFFAOYSA-N	-1	0	289.334	0.465	20	30		CCEDRM
C#C[C@@H]1CCCN(C(=O)Cn2cc(C(=O)[O-])cn2)C1	ZINC000911410786	613104127	/nfs/dbraw/zinc/10/41/27/613104127.db2.gz	ZMJCEJQWTGNXCS-SNVBAGLBSA-N	-1	0	261.281	0.453	20	30		CCEDRM
C#CCN(CC)CC(=O)N[C@@H](CC(C)C)C(=O)[O-]	ZINC000825614048	613106642	/nfs/dbraw/zinc/10/66/42/613106642.db2.gz	BRPXOULHRRPWFT-NSHDSACASA-N	-1	0	254.330	0.557	20	30		CCEDRM
C#CCN(Cc1ccccc1)C(=O)NCC(=O)[N-]OCC	ZINC000845533079	613108848	/nfs/dbraw/zinc/10/88/48/613108848.db2.gz	RQHTVANAYJRIIT-UHFFFAOYSA-N	-1	0	289.335	0.899	20	30		CCEDRM
C#C[C@H](CO)NC(=O)[C@]1(C(=O)[O-])C[C@H]1c1ccccc1	ZINC000907840409	613128803	/nfs/dbraw/zinc/12/88/03/613128803.db2.gz	BVUIVMAETICNRS-XUJVJEKNSA-N	-1	0	273.288	0.355	20	30		CCEDRM
C#C[C@H](NC(=O)C(=O)[N-]OC1CCCCC1)[C@H]1CCCO1	ZINC000809306718	613132025	/nfs/dbraw/zinc/13/20/25/613132025.db2.gz	UQHHFLVZDUULGM-QWHCGFSZSA-N	-1	0	294.351	0.664	20	30		CCEDRM
C#C[C@H](NC(=O)N1CC[C@H](C)[C@H](C(=O)[O-])C1)[C@H]1CCCO1	ZINC000831038142	613137369	/nfs/dbraw/zinc/13/73/69/613137369.db2.gz	FDEVHVVQJYLVBD-QNWHQSFQSA-N	-1	0	294.351	0.919	20	30		CCEDRM
C#C[C@H](NC(=O)NCCC(C)(C)C(=O)[O-])[C@H]1CCCO1	ZINC000818623510	613139074	/nfs/dbraw/zinc/13/90/74/613139074.db2.gz	GUEIDFKCKPJVCR-WDEREUQCSA-N	-1	0	282.340	0.967	20	30		CCEDRM
C#C[C@H](NC(=O)[C@H]1CC[C@@H](C(=O)[O-])O1)C1CCOCC1	ZINC000911794633	613147713	/nfs/dbraw/zinc/14/77/13/613147713.db2.gz	YSKFNOGKBVDVJU-TUAOUCFPSA-N	-1	0	281.308	0.163	20	30		CCEDRM
C#C[C@H]1CCCN(C(=O)CSc2n[nH]c(=O)[n-]2)C1	ZINC000848278213	613156750	/nfs/dbraw/zinc/15/67/50/613156750.db2.gz	GCERVFDYDUZZDR-QMMMGPOBSA-N	-1	0	266.326	0.474	20	30		CCEDRM
C#Cc1ccc(C(=O)N2CCC[C@H](c3n[nH]c(=O)[n-]3)C2)cn1	ZINC000843877192	613169499	/nfs/dbraw/zinc/16/94/99/613169499.db2.gz	CTUMICBCNKWARO-NSHDSACASA-N	-1	0	297.318	0.906	20	30		CCEDRM
C#CCN1CCC[C@H]1C(=O)N[C@H](CC(=O)[O-])C1CC1	ZINC000825619385	613202014	/nfs/dbraw/zinc/20/20/14/613202014.db2.gz	LSQUPSXFIAEOHG-NEPJUHHUSA-N	-1	0	264.325	0.454	20	30		CCEDRM
C#CCN1CCN(C(=O)[C@@H](NC(=O)[O-])C(C)(C)C)CC1	ZINC000823456659	613206663	/nfs/dbraw/zinc/20/66/63/613206663.db2.gz	OMQVGZGXBYKALT-LLVKDONJSA-N	-1	0	281.356	0.446	20	30		CCEDRM
C#Cc1ccccc1CC(=O)[N-]S(=O)(=O)CCCC#N	ZINC000810655316	613206869	/nfs/dbraw/zinc/20/68/69/613206869.db2.gz	MMNUKUPIPGVTGU-UHFFFAOYSA-N	-1	0	290.344	0.960	20	30		CCEDRM
COc1ccnc(C([O-])=C(C#N)C(=O)NC2CC2)c1	ZINC000842685847	617324999	/nfs/dbraw/zinc/32/49/99/617324999.db2.gz	XTQMJFWSTSRWDY-JTQLQIEISA-N	-1	0	259.265	0.691	20	30		CCEDRM
C#CCNC(=O)COC(=O)[C@H]1CCC[C@@H](C(=O)[O-])C1	ZINC000825620125	613332228	/nfs/dbraw/zinc/33/22/28/613332228.db2.gz	WLSVWLLYNCZHBL-ZJUUUORDSA-N	-1	0	267.281	0.170	20	30		CCEDRM
C#CCNC(=O)COC(=O)[C@H]1CCC[C@@H](NC(=O)[O-])C1	ZINC000823455222	613332291	/nfs/dbraw/zinc/33/22/91/613332291.db2.gz	AXWOVMVJECTILQ-VHSXEESVSA-N	-1	0	282.296	0.105	20	30		CCEDRM
C=C(C)COCCNC(=O)N1CCN(C(=O)[O-])[C@@H](C)C1	ZINC000823480865	613351878	/nfs/dbraw/zinc/35/18/78/613351878.db2.gz	QIWKMDXXPCTDAP-NSHDSACASA-N	-1	0	285.344	0.973	20	30		CCEDRM
C=C(C)CO[N-]C(=O)C(=O)Nc1ccc(OC(C)C)nn1	ZINC000846147305	613352335	/nfs/dbraw/zinc/35/23/35/613352335.db2.gz	PWCVTSJLGMKKIL-UHFFFAOYSA-N	-1	0	294.311	0.826	20	30		CCEDRM
C=C(C)CO[N-]C(=O)C(=O)Nc1cc(C)cnc1OC	ZINC000846146200	613352340	/nfs/dbraw/zinc/35/23/40/613352340.db2.gz	LAHKRSVNJDCBJP-UHFFFAOYSA-N	-1	0	279.296	0.961	20	30		CCEDRM
C=C(C)CO[N-]C(=O)C(=O)Nc1cc(CC)nn1C	ZINC000846149727	613352380	/nfs/dbraw/zinc/35/23/80/613352380.db2.gz	QHNBOMCFGJSTDV-UHFFFAOYSA-N	-1	0	266.301	0.545	20	30		CCEDRM
C=C(C)CO[N-]C(=O)C(=O)Nc1cc2n(n1)CCCC2	ZINC000846145627	613352389	/nfs/dbraw/zinc/35/23/89/613352389.db2.gz	ATSZDIQGEPMSOC-UHFFFAOYSA-N	-1	0	278.312	0.782	20	30		CCEDRM
C=C(C)CO[N-]C(=O)CS[C@H]1CCS(=O)(=O)C1	ZINC000846540456	613352478	/nfs/dbraw/zinc/35/24/78/613352478.db2.gz	WELKEOBGAFKKGA-VIFPVBQESA-N	-1	0	279.383	0.531	20	30		CCEDRM
C=C(C)CS(=O)(=O)N1CCC(F)(F)[C@@H](C(=O)[O-])C1	ZINC000844800595	613354079	/nfs/dbraw/zinc/35/40/79/613354079.db2.gz	LGLMHHMHCXGIML-MRVPVSSYSA-N	-1	0	283.296	0.934	20	30		CCEDRM
C=C(C)C[C@@H](C)C(=O)NCCC(=O)[N-]S(C)(=O)=O	ZINC000800550173	613354392	/nfs/dbraw/zinc/35/43/92/613354392.db2.gz	VLRLKDJZMWMWIZ-SECBINFHSA-N	-1	0	276.358	0.171	20	30		CCEDRM
C=C(C)C[C@@H](NC(=O)NCc1cc(C)nn1C)C(=O)[O-]	ZINC000908961758	613355826	/nfs/dbraw/zinc/35/58/26/613355826.db2.gz	DYAUQLKLWICTJV-LLVKDONJSA-N	-1	0	280.328	0.947	20	30		CCEDRM
C=C(C)C[C@@H](NC(=O)[C@@H]1CCn2cncc2C1)C(=O)[O-]	ZINC000910291763	613356043	/nfs/dbraw/zinc/35/60/43/613356043.db2.gz	AUKCNQZFQQWCQM-ZYHUDNBSSA-N	-1	0	277.324	0.981	20	30		CCEDRM
C=C(C)C[C@@H](NC(=O)c1cc2n(n1)CCO2)C(=O)[O-]	ZINC000910293348	613356114	/nfs/dbraw/zinc/35/61/14/613356114.db2.gz	XBWVCHNHTGLLRP-SECBINFHSA-N	-1	0	265.269	0.425	20	30		CCEDRM
C=C(C)C[C@@H](NC(=O)c1cc2n(n1)CCCO2)C(=O)[O-]	ZINC000910293195	613356155	/nfs/dbraw/zinc/35/61/55/613356155.db2.gz	VPNLSDWOHXWMTD-SNVBAGLBSA-N	-1	0	279.296	0.815	20	30		CCEDRM
C=C(C)C[C@@H](NC(=O)c1cn(CC2CC2)nn1)C(=O)[O-]	ZINC000910292486	613356209	/nfs/dbraw/zinc/35/62/09/613356209.db2.gz	PRZHWSAAWYBWOO-SNVBAGLBSA-N	-1	0	278.312	0.837	20	30		CCEDRM
C=C(C)C[C@H](NC(=O)[C@@H]1CCc2nnc(C)n2C1)C(=O)[O-]	ZINC000910288640	613358932	/nfs/dbraw/zinc/35/89/32/613358932.db2.gz	ZBCDXKHSQHVHDC-MNOVXSKESA-N	-1	0	292.339	0.685	20	30		CCEDRM
C=C(C)C[C@H](NC(=O)[C@H]1CCc2nnn(C)c2C1)C(=O)[O-]	ZINC000910294944	613359087	/nfs/dbraw/zinc/35/90/87/613359087.db2.gz	SDHJEIUTVHRFGT-ONGXEEELSA-N	-1	0	292.339	0.456	20	30		CCEDRM
C=C(C)C[C@H](NC(=O)c1cnn(CC)n1)C(=O)[O-]	ZINC000910292785	613359202	/nfs/dbraw/zinc/35/92/02/613359202.db2.gz	IJKLGSIVIOSJCR-QMMMGPOBSA-N	-1	0	252.274	0.447	20	30		CCEDRM
C=C(C)C[C@H](NC(=O)c1cncc(O)c1)C(=O)[O-]	ZINC000910286681	613359205	/nfs/dbraw/zinc/35/92/05/613359205.db2.gz	KOGJSGVMTXIQHO-JTQLQIEISA-N	-1	0	250.254	0.936	20	30		CCEDRM
C=C(C)C[C@H](NS(=O)(=O)CC1CCOCC1)C(=O)[O-]	ZINC000864451448	613359837	/nfs/dbraw/zinc/35/98/37/613359837.db2.gz	GQSCUMRBORCXIW-NSHDSACASA-N	-1	0	291.369	0.752	20	30		CCEDRM
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CCC(c2nnn[n-]2)CC1	ZINC000913745434	613360916	/nfs/dbraw/zinc/36/09/16/613360916.db2.gz	DPDUUCZGOJJELU-RYUDHWBXSA-N	-1	0	291.355	0.887	20	30		CCEDRM
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CC[C@@](O)(C(=O)[O-])C1	ZINC000910520139	613361204	/nfs/dbraw/zinc/36/12/04/613361204.db2.gz	HTONKSAZMFTGLH-KWBADKCTSA-N	-1	0	269.297	0.016	20	30		CCEDRM
C=C(C)[C@H](CC(=O)N1CC[C@@](O)(C(=O)[O-])C1)OCC	ZINC000910524409	613362222	/nfs/dbraw/zinc/36/22/22/613362222.db2.gz	BQONTIWUVGJRPT-GWCFXTLKSA-N	-1	0	271.313	0.406	20	30		CCEDRM
C=C(Cl)C[C@@H](NC(=O)NCc1cn(C)cn1)C(=O)[O-]	ZINC000900308441	613388540	/nfs/dbraw/zinc/38/85/40/613388540.db2.gz	IGZBQISHZWWRCY-SECBINFHSA-N	-1	0	286.719	0.815	20	30		CCEDRM
C=C(Cl)C[C@H](NC(=O)CCn1ccnc1)C(=O)[O-]	ZINC000910272831	613390504	/nfs/dbraw/zinc/39/05/04/613390504.db2.gz	WUYVYQMCDSLXBF-VIFPVBQESA-N	-1	0	271.704	0.985	20	30		CCEDRM
C=C1CC(C)(C(=O)N[C@@H](C)C(=O)N[C@H](C)C(=O)[O-])C1	ZINC000910749933	613395422	/nfs/dbraw/zinc/39/54/22/613395422.db2.gz	YFABEIUNOZGFRP-DTWKUNHWSA-N	-1	0	268.313	0.437	20	30		CCEDRM
C=CC[C@@H](CO)CNC(=O)c1cc(-c2nn[nH]n2)c[nH]1	ZINC000823887927	613402441	/nfs/dbraw/zinc/40/24/41/613402441.db2.gz	AXNYVIBHTXRVPF-MRVPVSSYSA-N	-1	0	276.300	0.109	20	30		CCEDRM
C=CC[C@@H](CO)CNS(=O)(=O)c1ccc(C(=O)[O-])cc1	ZINC000833371528	613403092	/nfs/dbraw/zinc/40/30/92/613403092.db2.gz	UGKNQEOHQVJPTC-SNVBAGLBSA-N	-1	0	299.348	0.848	20	30		CCEDRM
C=C1CN(C(=O)c2ccc([N-]S(C)(=O)=O)nc2)C1	ZINC000898706380	613416891	/nfs/dbraw/zinc/41/68/91/613416891.db2.gz	YPVPZMTXACIWQP-UHFFFAOYSA-N	-1	0	267.310	0.465	20	30		CCEDRM
C=CCn1c(C)nnc1Sc1c(C)[n-][nH]c1=O	ZINC000915817163	613423983	/nfs/dbraw/zinc/42/39/83/613423983.db2.gz	ZKOOWKFNZHNGEO-QMMMGPOBSA-N	-1	0	251.315	0.739	20	30		CCEDRM
C=CCn1cc(C(=O)N2CC[C@@H](C(=O)[O-])[C@@H]2C)nn1	ZINC000844155481	613426445	/nfs/dbraw/zinc/42/64/45/613426445.db2.gz	PDEUKJZYAPYMSY-DTWKUNHWSA-N	-1	0	264.285	0.399	20	30		CCEDRM
C=CCn1cc(C(=O)[N-]S(=O)(=O)C2(C=C)CC2)nn1	ZINC000870839293	613429376	/nfs/dbraw/zinc/42/93/76/613429376.db2.gz	XWMMEIDLMHSHJA-UHFFFAOYSA-N	-1	0	282.325	0.242	20	30		CCEDRM
C=CCn1cc(CNC(=O)[C@H]2C[C@@]2(C(=O)[O-])C(C)C)nn1	ZINC000899789871	613435279	/nfs/dbraw/zinc/43/52/79/613435279.db2.gz	YTEYJIRCIJBUEY-BXUZGUMPSA-N	-1	0	292.339	0.827	20	30		CCEDRM
C=C[C@@H](C)NS(=O)(=O)c1ccc(C(=O)[O-])nc1	ZINC000833372018	613442515	/nfs/dbraw/zinc/44/25/15/613442515.db2.gz	ZQUWLVPTENJSNA-SSDOTTSWSA-N	-1	0	256.283	0.633	20	30		CCEDRM
C=C[C@@H](C)NS(=O)(=O)c1ccc(F)c(-c2nn[nH]n2)c1	ZINC000819729493	613442540	/nfs/dbraw/zinc/44/25/40/613442540.db2.gz	HONFSHWZHCMQGY-SSDOTTSWSA-N	-1	0	297.315	0.859	20	30		CCEDRM
C=C[C@@H](C)O[N-]C(=O)C(=O)Nc1ccc(OC)nc1C	ZINC000846155687	613443293	/nfs/dbraw/zinc/44/32/93/613443293.db2.gz	VDLDSKAQTQOGQL-MRVPVSSYSA-N	-1	0	279.296	0.959	20	30		CCEDRM
C=C[C@@H](C)O[N-]C(=O)CN(C)c1ncnc2nc[nH]c21	ZINC000846551395	613443551	/nfs/dbraw/zinc/44/35/51/613443551.db2.gz	UOFBUBGSIAICPM-MRVPVSSYSA-N	-1	0	276.300	0.411	20	30		CCEDRM
C=C[C@@H](C)O[N-]C(=O)CNC(=O)Cc1ccccc1	ZINC000846540921	613443606	/nfs/dbraw/zinc/44/36/06/613443606.db2.gz	BSISCXZOOKNFOB-LLVKDONJSA-N	-1	0	262.309	0.968	20	30		CCEDRM
C=C[C@@H](C)O[N-]C(=O)CN1C(=O)[C@@H]2CC=CC[C@@H]2C1=O	ZINC000846552364	613443648	/nfs/dbraw/zinc/44/36/48/613443648.db2.gz	GGBMEBBRDKHJJS-MXWKQRLJSA-N	-1	0	278.308	0.560	20	30		CCEDRM
C=CC(C)(C)C(=O)[N-]S(=O)(=O)N(C)CCOC	ZINC000835220184	613444484	/nfs/dbraw/zinc/44/44/84/613444484.db2.gz	YITOQKNQGVKCQL-UHFFFAOYSA-N	-1	0	264.347	0.138	20	30		CCEDRM
C=CC(C)(C)CC(=O)[N-]S(=O)(=O)c1cnccn1	ZINC000892844685	613446118	/nfs/dbraw/zinc/44/61/18/613446118.db2.gz	NAMXXECUFWAESY-UHFFFAOYSA-N	-1	0	269.326	0.884	20	30		CCEDRM
C=C[C@@H](C)O[N-]C(=O)[C@H](CO)NC(=O)c1ccc(F)cc1	ZINC000846553879	613447204	/nfs/dbraw/zinc/44/72/04/613447204.db2.gz	BUARSMIYYMZSRR-SKDRFNHKSA-N	-1	0	296.298	0.539	20	30		CCEDRM
C=CC1(S(=O)(=O)[N-]C(=O)C[C@@H]2CCOC2)CC1	ZINC000870834498	613450871	/nfs/dbraw/zinc/45/08/71/613450871.db2.gz	GAQLPERBLUWNHH-VIFPVBQESA-N	-1	0	259.327	0.578	20	30		CCEDRM
C=CC1(S(=O)(=O)[N-]C(=O)[C@@H]2C[C@@H](C)O[C@@H]2C)CC1	ZINC000870839892	613451311	/nfs/dbraw/zinc/45/13/11/613451311.db2.gz	ZRDLVPQKQTUCIP-OPRDCNLKSA-N	-1	0	273.354	0.965	20	30		CCEDRM
C=CC1(S(=O)(=O)[N-]C(=O)[C@H]2CCCOC2)CC1	ZINC000870832549	613451561	/nfs/dbraw/zinc/45/15/61/613451561.db2.gz	LCMVUOXSZZACIW-VIFPVBQESA-N	-1	0	259.327	0.578	20	30		CCEDRM
C=CC1(S(=O)(=O)[N-]C(=O)[C@@](C)(CC)OC)CC1	ZINC000870837039	613451581	/nfs/dbraw/zinc/45/15/81/613451581.db2.gz	WFENLZHETCPBBR-SNVBAGLBSA-N	-1	0	261.343	0.966	20	30		CCEDRM
C=CC1(S(=O)(=O)[N-]C(=O)[C@@](C)(OC)C2CC2)CC1	ZINC000870837819	613451629	/nfs/dbraw/zinc/45/16/29/613451629.db2.gz	CVAPPHJZABRNPP-NSHDSACASA-N	-1	0	273.354	0.966	20	30		CCEDRM
C=CC1(S(=O)(=O)[N-]C(=O)[C@H]2CCO[C@@H](C)C2)CC1	ZINC000870835998	613451679	/nfs/dbraw/zinc/45/16/79/613451679.db2.gz	WKVSLJUHVJVQIO-UWVGGRQHSA-N	-1	0	273.354	0.966	20	30		CCEDRM
C=CC1(S(=O)(=O)[N-]C(=O)c2nn(C)cc2Cl)CC1	ZINC000870839639	613452208	/nfs/dbraw/zinc/45/22/08/613452208.db2.gz	QANOVBVKQANZRT-UHFFFAOYSA-N	-1	0	289.744	0.852	20	30		CCEDRM
C=CCC1(S(=O)(=O)[N-]C(=O)Cn2nccc2C)CC1	ZINC000860771750	613460724	/nfs/dbraw/zinc/46/07/24/613460724.db2.gz	CNWFYLLNUPWZSL-UHFFFAOYSA-N	-1	0	283.353	0.746	20	30		CCEDRM
C=CCC1(S(=O)(=O)[N-]C(=O)[C@@H]2[C@H]3CCCO[C@H]32)CC1	ZINC000810983828	613461229	/nfs/dbraw/zinc/46/12/29/613461229.db2.gz	IEFLNNHMAQIFPU-GMTAPVOTSA-N	-1	0	285.365	0.966	20	30		CCEDRM
C=CCC1(S(=O)(=O)[N-]C(=O)[C@H]2CCNC(=O)C2)CC1	ZINC000810987535	613461286	/nfs/dbraw/zinc/46/12/86/613461286.db2.gz	OUYABEUZGFKFOO-VIFPVBQESA-N	-1	0	286.353	0.067	20	30		CCEDRM
C=CCCC(=O)[N-]S(=O)(=O)CC[C@H]1CCCO1	ZINC000893713242	613462343	/nfs/dbraw/zinc/46/23/43/613462343.db2.gz	UMTFTVZAODKLGF-SNVBAGLBSA-N	-1	0	261.343	0.968	20	30		CCEDRM
C=CCCC(=O)[N-]S(=O)(=O)c1ccc2c(c1)nnn2C	ZINC000851173265	613463009	/nfs/dbraw/zinc/46/30/09/613463009.db2.gz	IDUBVVIWBZYYEU-UHFFFAOYSA-N	-1	0	294.336	0.739	20	30		CCEDRM
C=CCCC(=O)N[C@@H]1CCCCN(CC(=O)[O-])C1=O	ZINC000902434718	613463037	/nfs/dbraw/zinc/46/30/37/613463037.db2.gz	YJHMTWZZSOECRU-SNVBAGLBSA-N	-1	0	268.313	0.535	20	30		CCEDRM
C=CCCCC(=O)[N-]S(=O)(=O)C[C@@H](COC)OC	ZINC000853204458	613464778	/nfs/dbraw/zinc/46/47/78/613464778.db2.gz	XYSINUJHJPCYRP-SNVBAGLBSA-N	-1	0	279.358	0.450	20	30		CCEDRM
C=C[C@@H]1OCC[C@H]1C(=O)[N-]S(=O)(=O)CCOCC	ZINC000835149399	613465738	/nfs/dbraw/zinc/46/57/38/613465738.db2.gz	AHLBGHIMAHURLN-ZJUUUORDSA-N	-1	0	277.342	0.060	20	30		CCEDRM
C=CCCCN(C)C(=O)[C@@H]1C[C@H](O)CN1C(=O)[O-]	ZINC000823496165	613466533	/nfs/dbraw/zinc/46/65/33/613466533.db2.gz	DSMXRQJRTSZOCO-UWVGGRQHSA-N	-1	0	256.302	0.524	20	30		CCEDRM
C=CCCC[C@@H](NC(=O)C1=NN(C)C(=O)CC1)C(=O)[O-]	ZINC000910916516	613470682	/nfs/dbraw/zinc/47/06/82/613470682.db2.gz	WYMNNORAGNPHDL-SNVBAGLBSA-N	-1	0	281.312	0.520	20	30		CCEDRM
C=CCCC[C@@H](NC(=O)CCn1cncn1)C(=O)[O-]	ZINC000910917944	613470710	/nfs/dbraw/zinc/47/07/10/613470710.db2.gz	GHQAGPRHDNOESM-SNVBAGLBSA-N	-1	0	266.301	0.594	20	30		CCEDRM
C=CCCC[C@H](NS(=O)(=O)C[C@H](C)OC)C(=O)[O-]	ZINC000903059043	613474819	/nfs/dbraw/zinc/47/48/19/613474819.db2.gz	LEXCYHWEPWDHMX-UWVGGRQHSA-N	-1	0	279.358	0.750	20	30		CCEDRM
C=C[C@H](C)O[N-]C(=O)C(=O)Nc1cncc(N(C)C)c1	ZINC000873935073	613483779	/nfs/dbraw/zinc/48/37/79/613483779.db2.gz	YTOWDAPQTGFFRK-VIFPVBQESA-N	-1	0	278.312	0.708	20	30		CCEDRM
C=C[C@H](C)O[N-]C(=O)CNC(=O)Cc1ccccc1	ZINC000846540922	613484176	/nfs/dbraw/zinc/48/41/76/613484176.db2.gz	BSISCXZOOKNFOB-NSHDSACASA-N	-1	0	262.309	0.968	20	30		CCEDRM
C=C[C@H](C)O[N-]C(=O)[C@H]1CCCN1S(C)(=O)=O	ZINC000846542766	613488202	/nfs/dbraw/zinc/48/82/02/613488202.db2.gz	BSENWBUOOLAGLF-DTWKUNHWSA-N	-1	0	262.331	0.033	20	30		CCEDRM
C=C[C@H](C)O[N-]C(=O)c1cnc2n(c1=O)CCS2	ZINC000846543932	613488786	/nfs/dbraw/zinc/48/87/86/613488786.db2.gz	SSXDIBJOQKNFAE-ZETCQYMHSA-N	-1	0	267.310	0.585	20	30		CCEDRM
C=C[C@H](O)C(=O)NC[C@H](SCC(=O)[O-])C(F)(F)F	ZINC000910352855	613496479	/nfs/dbraw/zinc/49/64/79/613496479.db2.gz	XNNDCEBKXIAQNQ-WDSKDSINSA-N	-1	0	287.259	0.398	20	30		CCEDRM
C=C[C@](C)(O)C(=O)NCCc1ccc(C(=O)[O-])cc1	ZINC000908601675	613507310	/nfs/dbraw/zinc/50/73/10/613507310.db2.gz	DYLQEPILQPAPOC-AWEZNQCLSA-N	-1	0	263.293	0.981	20	30		CCEDRM
CC#CCCNC(=O)c1cc(=O)n(-c2nc(C)cc(C)n2)[n-]1	ZINC000901358027	613522808	/nfs/dbraw/zinc/52/28/08/613522808.db2.gz	QZKAXOOZYVTXMI-UHFFFAOYSA-N	-1	0	299.334	0.716	20	30		CCEDRM
CC#CCN(C)S(=O)(=O)c1cccc(CC(=O)[O-])c1	ZINC000871969267	613524735	/nfs/dbraw/zinc/52/47/35/613524735.db2.gz	IZMLSOARHDVUQO-UHFFFAOYSA-N	-1	0	281.333	0.958	20	30		CCEDRM
C=CCCOCC(=O)N1CC[C@H](N(C)C(=O)[O-])C1	ZINC000823496581	613571328	/nfs/dbraw/zinc/57/13/28/613571328.db2.gz	MCIBGPCNSZITSV-JTQLQIEISA-N	-1	0	256.302	0.790	20	30		CCEDRM
C=CCCOCCNC(=O)N[C@@H](CSC)C(=O)[O-]	ZINC000909116700	613575163	/nfs/dbraw/zinc/57/51/63/613575163.db2.gz	GTCZCPNMMQKTBT-VIFPVBQESA-N	-1	0	276.358	0.695	20	30		CCEDRM
C=CCCO[N-]C(=O)CN(C)C(=O)[C@@H](C)n1cccn1	ZINC000856030470	613576194	/nfs/dbraw/zinc/57/61/94/613576194.db2.gz	FNLVNWMWPZUVIA-LLVKDONJSA-N	-1	0	280.328	0.526	20	30		CCEDRM
C=CCCO[N-]C(=O)[C@@H](OC)C(=O)OC(C)(C)C	ZINC000869282228	613576812	/nfs/dbraw/zinc/57/68/12/613576812.db2.gz	CTRHMCAZOAJEQC-SECBINFHSA-N	-1	0	259.302	0.967	20	30		CCEDRM
C=CCCS(=O)(=O)N[C@@H]1CCC[C@H]1CNC(=O)[O-]	ZINC000823501020	613581474	/nfs/dbraw/zinc/58/14/74/613581474.db2.gz	PSMOAXGNCCTDLS-VHSXEESVSA-N	-1	0	276.358	0.918	20	30		CCEDRM
C=CCCS(=O)(=O)N[C@@H](COCC(C)C)C(=O)[O-]	ZINC000906003344	613581676	/nfs/dbraw/zinc/58/16/76/613581676.db2.gz	DGLQWSOZFUFPOY-JTQLQIEISA-N	-1	0	279.358	0.608	20	30		CCEDRM
C=CCC[C@@H](NC(=O)c1cn2c(n1)COCC2)C(=O)[O-]	ZINC000909714654	613585741	/nfs/dbraw/zinc/58/57/41/613585741.db2.gz	ZBLVEXGTFMXBGA-SECBINFHSA-N	-1	0	279.296	0.563	20	30		CCEDRM
C=CCC[C@H](CO)NC(=O)N[C@H]1C[C@H](C(=O)[O-])C1	ZINC000874427215	613588624	/nfs/dbraw/zinc/58/86/24/613588624.db2.gz	OQGKIUDBENYIHF-OPRDCNLKSA-N	-1	0	256.302	0.476	20	30		CCEDRM
C=CCC[C@H](NC(=O)COCc1nccn1C)C(=O)[O-]	ZINC000909712944	613589571	/nfs/dbraw/zinc/58/95/71/613589571.db2.gz	OSMHIVJESIZDFG-JTQLQIEISA-N	-1	0	281.312	0.472	20	30		CCEDRM
C=CCC[C@H](NC(=O)NCCO[C@H]1CCOC1)C(=O)[O-]	ZINC000929017492	613589885	/nfs/dbraw/zinc/58/98/85/613589885.db2.gz	UZXDQBVHNCTMMB-QWRGUYRKSA-N	-1	0	286.328	0.511	20	30		CCEDRM
C=CCC[C@H](NC(=O)c1c(C)nn(C)c1OC)C(=O)[O-]	ZINC000909711496	613590412	/nfs/dbraw/zinc/59/04/12/613590412.db2.gz	CAKNXAJVVCESED-VIFPVBQESA-N	-1	0	281.312	0.886	20	30		CCEDRM
C=CCC[C@H](NC(=O)c1c(C)nnn1CC)C(=O)[O-]	ZINC000909715688	613590444	/nfs/dbraw/zinc/59/04/44/613590444.db2.gz	NRKXTPIDBYCFFE-VIFPVBQESA-N	-1	0	266.301	0.756	20	30		CCEDRM
C=CCN(C(=O)C(=O)N1C[C@@H](C)C[C@H](C(=O)[O-])C1)C(C)C	ZINC000817895624	613601679	/nfs/dbraw/zinc/60/16/79/613601679.db2.gz	WLDCBIMHUJPAGA-RYUDHWBXSA-N	-1	0	296.367	0.979	20	30		CCEDRM
C=CCN(CC(=O)[O-])C(=O)NCc1ncccc1N(C)C	ZINC000909062845	613642354	/nfs/dbraw/zinc/64/23/54/613642354.db2.gz	MAXOBSYYDWQJOI-UHFFFAOYSA-N	-1	0	292.339	0.930	20	30		CCEDRM
C=CCN(CC(=O)[O-])C(=O)NCCOc1cccnc1	ZINC000908921806	613642384	/nfs/dbraw/zinc/64/23/84/613642384.db2.gz	LJUMUAVKIQFJBY-UHFFFAOYSA-N	-1	0	279.296	0.743	20	30		CCEDRM
C=CCN(CC(=O)[O-])C(=O)NCc1ccn(C)n1	ZINC000212350840	613642768	/nfs/dbraw/zinc/64/27/68/613642768.db2.gz	HWBOTMHNKXUCMH-UHFFFAOYSA-N	-1	0	252.274	0.202	20	30		CCEDRM
C=CCN(CC(=O)[O-])C(=O)c1cc(C)nc(NC)n1	ZINC000909515614	613643617	/nfs/dbraw/zinc/64/36/17/613643617.db2.gz	DRCDLFPUJSEICB-UHFFFAOYSA-N	-1	0	264.285	0.540	20	30		CCEDRM
C=CCN(CC(=O)[O-])S(=O)(=O)C[C@H](OC)C1CC1	ZINC000830043077	613643633	/nfs/dbraw/zinc/64/36/33/613643633.db2.gz	SVDDUMWLJHRFOU-JTQLQIEISA-N	-1	0	277.342	0.314	20	30		CCEDRM
C=CCN(CC(=O)[O-])c1cc(CC)nc2ncnn21	ZINC000910401716	613644478	/nfs/dbraw/zinc/64/44/78/613644478.db2.gz	IFRPEVKASZAZPE-UHFFFAOYSA-N	-1	0	261.285	0.764	20	30		CCEDRM
CC#CCS(=O)(=O)[N-]C(=O)COc1ccc(C)cc1	ZINC000810773298	613645922	/nfs/dbraw/zinc/64/59/22/613645922.db2.gz	YLFFOWLMSNOMFR-UHFFFAOYSA-N	-1	0	281.333	0.843	20	30		CCEDRM
C=CCN(CC=C)C(=O)CN1CC[C@@H](OC)C[C@H]1C(=O)[O-]	ZINC000833375416	613647242	/nfs/dbraw/zinc/64/72/42/613647242.db2.gz	WKGHBGTZCRDOBP-OLZOCXBDSA-N	-1	0	296.367	0.751	20	30		CCEDRM
CC#CCS(=O)(=O)[N-]C(=O)[C@H]1Cc2ccccc21	ZINC000810778280	613647258	/nfs/dbraw/zinc/64/72/58/613647258.db2.gz	RYAZPKNBTKYSHK-LBPRGKRZSA-N	-1	0	263.318	0.796	20	30		CCEDRM
CC#CCS(=O)(=O)[N-]C(=O)c1ccc([N+](=O)[O-])cc1C	ZINC000810778542	613647606	/nfs/dbraw/zinc/64/76/06/613647606.db2.gz	CQGPRXVTTMFYNV-UHFFFAOYSA-N	-1	0	296.304	0.986	20	30		CCEDRM
CC#CCS(=O)(=O)[N-]C(=O)c1ccc2nnc(C)n2c1	ZINC000810773369	613647828	/nfs/dbraw/zinc/64/78/28/613647828.db2.gz	BSPWCLUCOHBXQO-UHFFFAOYSA-N	-1	0	292.320	0.121	20	30		CCEDRM
C=CCN(Cc1ccc(C(=O)[O-])[nH]1)[C@@H]1CCS(=O)(=O)C1	ZINC000833374598	613651160	/nfs/dbraw/zinc/65/11/60/613651160.db2.gz	SQHDKBNFSSDNLF-LLVKDONJSA-N	-1	0	298.364	0.888	20	30		CCEDRM
C=CCN(CN1CC2(CN(C(=O)[O-])C2)CC1=O)C1CC1	ZINC000833788273	613651186	/nfs/dbraw/zinc/65/11/86/613651186.db2.gz	STVMUWNYCKINTR-UHFFFAOYSA-N	-1	0	279.340	0.807	20	30		CCEDRM
Cc1cc(N=NC(C)c2cn(CC(=O)[O-])nn2)nc(C)n1	ZINC000825804676	613657123	/nfs/dbraw/zinc/65/71/23/613657123.db2.gz	SZBCXEVEOBRVDP-UHFFFAOYSA-N	-1	0	289.299	0.606	20	30		CCEDRM
CC(=O)NCCN(Cc1ccc(C#N)o1)[C@@H](C)C(=O)[O-]	ZINC000819770597	613737560	/nfs/dbraw/zinc/73/75/60/613737560.db2.gz	ZEHVPXURNMGFHR-VIFPVBQESA-N	-1	0	279.296	0.562	20	30		CCEDRM
CC(=O)N1CCC(COC(=O)[C@](C)(C#N)CC(=O)[O-])CC1	ZINC000819731714	613804875	/nfs/dbraw/zinc/80/48/75/613804875.db2.gz	OOFVCKNRGDEGBX-AWEZNQCLSA-N	-1	0	296.323	0.793	20	30		CCEDRM
C=CCNC(=O)C(=O)Nc1cc(F)c(F)cc1C(=O)[O-]	ZINC000833377184	613845097	/nfs/dbraw/zinc/84/50/97/613845097.db2.gz	PPLMQXVSRVRYMB-UHFFFAOYSA-N	-1	0	284.218	0.904	20	30		CCEDRM
C=CCNC(=O)CNCc1ccc(-c2nn[nH]n2)cc1F	ZINC000823919463	613846993	/nfs/dbraw/zinc/84/69/93/613846993.db2.gz	GRGMHSFQCJXNMJ-UHFFFAOYSA-N	-1	0	290.302	0.398	20	30		CCEDRM
C=CCNC(=O)COC(=O)[C@@]1(C)CCN(C(=O)[O-])C1	ZINC000823506298	613848062	/nfs/dbraw/zinc/84/80/62/613848062.db2.gz	FZKJFHSBZBCFBG-LBPRGKRZSA-N	-1	0	270.285	0.222	20	30		CCEDRM
C=CCNC(=O)COC(=O)[C@@H]1CC[C@@H](NC(=O)[O-])C1	ZINC000823506470	613848070	/nfs/dbraw/zinc/84/80/70/613848070.db2.gz	HHHQXWQLZXWCNS-RKDXNWHRSA-N	-1	0	270.285	0.268	20	30		CCEDRM
C=CCNC(=O)COc1cc(C(=O)[O-])cc(C(=O)OC)c1	ZINC000833376409	613848826	/nfs/dbraw/zinc/84/88/26/613848826.db2.gz	DTRHLBKVELOBFR-UHFFFAOYSA-N	-1	0	293.275	0.852	20	30		CCEDRM
C=CCNC(=O)[C@@H](C)OC(=O)[C@H]1CCCCN1C(=O)[O-]	ZINC000823507441	613853993	/nfs/dbraw/zinc/85/39/93/613853993.db2.gz	XVTZHPUCJBILJO-NXEZZACHSA-N	-1	0	284.312	0.753	20	30		CCEDRM
C=CCNC(=O)[C@H](C)OC(=O)[C@@H]1CC[C@H](NC(=O)[O-])C1	ZINC000823507023	613855622	/nfs/dbraw/zinc/85/56/22/613855622.db2.gz	QITPYCATPCYTCZ-AEJSXWLSSA-N	-1	0	284.312	0.657	20	30		CCEDRM
C=CCNC(=O)c1ccc(NCC(=O)[N-]OCC)nc1	ZINC000845714841	613856267	/nfs/dbraw/zinc/85/62/67/613856267.db2.gz	IIPNWPOYRRHDCH-UHFFFAOYSA-N	-1	0	278.312	0.477	20	30		CCEDRM
C=CCNS(=O)(=O)Cc1ccccc1C(=O)[O-]	ZINC000833376312	613860028	/nfs/dbraw/zinc/86/00/28/613860028.db2.gz	ACEVFRMTHWCLHK-UHFFFAOYSA-N	-1	0	255.295	0.990	20	30		CCEDRM
C=CCNc1ncc(C(=O)OCC(=O)NCC(=O)[O-])s1	ZINC000825692471	613877199	/nfs/dbraw/zinc/87/71/99/613877199.db2.gz	WKJDMSZMRZXQKV-UHFFFAOYSA-N	-1	0	299.308	0.099	20	30		CCEDRM
C=CCOCC(=O)N1CC[C@H](NC(=O)[O-])C[C@H]1C	ZINC000823516300	613879151	/nfs/dbraw/zinc/87/91/51/613879151.db2.gz	FPVSJBSXELNYAD-ZJUUUORDSA-N	-1	0	256.302	0.836	20	30		CCEDRM
C=CCOCC(=O)N1C[C@H](OC)C[C@]1(C)C(=O)[O-]	ZINC000910264619	613879314	/nfs/dbraw/zinc/87/93/14/613879314.db2.gz	OZBUOCOPJGTLAT-BXKDBHETSA-N	-1	0	257.286	0.280	20	30		CCEDRM
C=CCOCC(=O)[N-]S(=O)(=O)CC[C@@H]1CCCO1	ZINC000893713978	613879442	/nfs/dbraw/zinc/87/94/42/613879442.db2.gz	YGOAOLKDVKVUPG-JTQLQIEISA-N	-1	0	277.342	0.204	20	30		CCEDRM
C=CCOCC(=O)N[C@@]1(C(=O)[O-])C[C@@H](OCC)C1(C)C	ZINC000909604625	613879531	/nfs/dbraw/zinc/87/95/31/613879531.db2.gz	YOFDFXCCTDWACC-QMTHXVAHSA-N	-1	0	285.340	0.964	20	30		CCEDRM
C=CCOCCCNC(=O)N[C@H](CSC)C(=O)[O-]	ZINC000905545821	613880233	/nfs/dbraw/zinc/88/02/33/613880233.db2.gz	NDQMXQWYBNERLX-SECBINFHSA-N	-1	0	276.358	0.695	20	30		CCEDRM
C=CCOC[C@@H](NC(=O)NC[C@@H]1CC1(C)C)C(=O)[O-]	ZINC000908989321	613881625	/nfs/dbraw/zinc/88/16/25/613881625.db2.gz	ODQBLXHSPPLFIM-VHSXEESVSA-N	-1	0	270.329	0.988	20	30		CCEDRM
C=CCOC[C@@H](NC(=O)CCn1nc(C)cc1C)C(=O)[O-]	ZINC000909772238	613881683	/nfs/dbraw/zinc/88/16/83/613881683.db2.gz	WFYYZRNQXKVXRM-GFCCVEGCSA-N	-1	0	295.339	0.662	20	30		CCEDRM
C=CCOC[C@@H](NC(=O)c1cc(OC)ns1)C(=O)[O-]	ZINC000909765686	613881864	/nfs/dbraw/zinc/88/18/64/613881864.db2.gz	CZXALRBGALVENS-SSDOTTSWSA-N	-1	0	286.309	0.537	20	30		CCEDRM
C=CCOC[C@@H](NC(=O)c1ccc(CO)cc1)C(=O)[O-]	ZINC000909771535	613881902	/nfs/dbraw/zinc/88/19/02/613881902.db2.gz	QSTDKSSTZNSCOZ-GFCCVEGCSA-N	-1	0	279.292	0.565	20	30		CCEDRM
C=CCOC[C@H](NC(=O)C1(O)CCCCC1)C(=O)[O-]	ZINC000836750822	613882202	/nfs/dbraw/zinc/88/22/02/613882202.db2.gz	COXUQILHULSKEW-JTQLQIEISA-N	-1	0	271.313	0.454	20	30		CCEDRM
C=CCOC[C@H](NC(=O)/C=C/c1cn(C)cn1)C(=O)[O-]	ZINC000923078139	613882270	/nfs/dbraw/zinc/88/22/70/613882270.db2.gz	DTLXIEUDOAETIZ-ZWNMCFTASA-N	-1	0	279.296	0.205	20	30		CCEDRM
C=CCOC[C@H](NC(=O)Cc1cncs1)C(=O)[O-]	ZINC000909771000	613882397	/nfs/dbraw/zinc/88/23/97/613882397.db2.gz	KRDXLAHOBLZOTM-VIFPVBQESA-N	-1	0	270.310	0.458	20	30		CCEDRM
C=CCOC[C@H](NC(=O)c1occ2c1CCOC2)C(=O)[O-]	ZINC000909771322	613882788	/nfs/dbraw/zinc/88/27/88/613882788.db2.gz	NCQOZSZKCIJTSC-NSHDSACASA-N	-1	0	295.291	0.738	20	30		CCEDRM
C=CCO[N-]C(=O)CN1C(=O)NC2(CCCCC2)C1=O	ZINC000837042880	613883199	/nfs/dbraw/zinc/88/31/99/613883199.db2.gz	GXGVOOPVCNOUKJ-UHFFFAOYSA-N	-1	0	281.312	0.475	20	30		CCEDRM
C=CCO[N-]C(=O)[C@H](CO)NC(=O)OCc1ccccc1	ZINC000909286629	613884576	/nfs/dbraw/zinc/88/45/76/613884576.db2.gz	VSESBZGVPBVZEZ-LBPRGKRZSA-N	-1	0	294.307	0.508	20	30		CCEDRM
C=CCS(=O)(=O)CCNCc1cc(C(=O)[O-])c(C)o1	ZINC000833378972	613885749	/nfs/dbraw/zinc/88/57/49/613885749.db2.gz	ZQMVXUOFXWOFIH-UHFFFAOYSA-N	-1	0	287.337	0.977	20	30		CCEDRM
C=CCS(=O)(=O)[N-]C(=O)C[C@@H]1CCOC[C@@H]1OCC	ZINC000870256583	613886079	/nfs/dbraw/zinc/88/60/79/613886079.db2.gz	JGRQXJPQUNJARC-QWRGUYRKSA-N	-1	0	291.369	0.450	20	30		CCEDRM
C=CCS(=O)(=O)[N-]C(=O)[C@H](C)C(=O)OC(C)(C)C	ZINC000842328370	613886192	/nfs/dbraw/zinc/88/61/92/613886192.db2.gz	PHLZAHFOJDFBGU-QMMMGPOBSA-N	-1	0	277.342	0.596	20	30		CCEDRM
C=CCS(=O)(=O)[N-]C(=O)c1c(C(F)(F)F)cnn1C	ZINC000850913234	613886359	/nfs/dbraw/zinc/88/63/59/613886359.db2.gz	NKZHRNNRFGZJCB-UHFFFAOYSA-N	-1	0	297.258	0.685	20	30		CCEDRM
CC(C)NC(=O)C(C#N)=C([O-])c1cnc(N(C)C)cn1	ZINC000847624023	613934399	/nfs/dbraw/zinc/93/43/99/613934399.db2.gz	JZSXGQWHVHTDMX-SECBINFHSA-N	-1	0	275.312	0.390	20	30		CCEDRM
CC(C)OCCCNC(=O)[C@](C)(C#N)CC(=O)[O-]	ZINC000820033081	614012622	/nfs/dbraw/zinc/01/26/22/614012622.db2.gz	WQJFDXSCWDWQJT-LBPRGKRZSA-N	-1	0	256.302	0.922	20	30		CCEDRM
CC(C)OCCCNC(=O)C(C#N)=C([O-])c1cn(C)nn1	ZINC000808978075	614012931	/nfs/dbraw/zinc/01/29/31/614012931.db2.gz	FLUIFHPPLYZDFE-SNVBAGLBSA-N	-1	0	293.327	0.069	20	30		CCEDRM
CC(C)Oc1cncc(C(=O)[N-]S(=O)(=O)CCC#N)c1	ZINC000835412269	614058011	/nfs/dbraw/zinc/05/80/11/614058011.db2.gz	ZPLBCASSEPLKKW-UHFFFAOYSA-N	-1	0	297.336	0.842	20	30		CCEDRM
CC(=O)N[C@H](C(=O)Nc1nc(C#N)c(C#N)[n-]1)C(C)C	ZINC000914535593	614094641	/nfs/dbraw/zinc/09/46/41/614094641.db2.gz	UXGLEUMZJWYQBV-JTQLQIEISA-N	-1	0	274.284	0.252	20	30		CCEDRM
CC(C)(CNC(=O)[C@@]1(C#N)CCCOC1)C(=O)[O-]	ZINC000923063499	614106320	/nfs/dbraw/zinc/10/63/20/614106320.db2.gz	GIGRVLOEYHEJFX-GFCCVEGCSA-N	-1	0	254.286	0.534	20	30		CCEDRM
CC(C)(CNC(=O)[C@@](C)(C#N)CC(=O)[O-])N1CCOCC1	ZINC000819833907	614106486	/nfs/dbraw/zinc/10/64/86/614106486.db2.gz	KGJVONAHQOAGIY-CQSZACIVSA-N	-1	0	297.355	0.218	20	30		CCEDRM
CC(C)(O)CNN=Cc1ccc(O)c(C(=O)[O-])c1	ZINC000863138919	614194426	/nfs/dbraw/zinc/19/44/26/614194426.db2.gz	ZYYISZLORLYARS-UHFFFAOYSA-N	-1	0	252.270	0.785	20	30		CCEDRM
CC(C)Cn1cc(C(=O)N(CC#N)CC(=O)[O-])cn1	ZINC000833494453	614237741	/nfs/dbraw/zinc/23/77/41/614237741.db2.gz	RKHAHIUACGJVSB-UHFFFAOYSA-N	-1	0	264.285	0.589	20	30		CCEDRM
CC(=O)c1ccc(NC(=O)CN(CC#N)CC(=O)[O-])cc1	ZINC000825951821	614254128	/nfs/dbraw/zinc/25/41/28/614254128.db2.gz	QJKJOQGWVKEGRT-UHFFFAOYSA-N	-1	0	289.291	0.738	20	30		CCEDRM
CC(C)(C#N)CNC(=O)N1CCO[C@H](C(=O)[O-])C1	ZINC000819901798	614285849	/nfs/dbraw/zinc/28/58/49/614285849.db2.gz	TXSRTMNHSCIIJF-QMMMGPOBSA-N	-1	0	255.274	0.031	20	30		CCEDRM
CC(C)N(CC(=O)[O-])CC(=O)NCc1cccc(C#N)c1	ZINC000820015494	614288035	/nfs/dbraw/zinc/28/80/35/614288035.db2.gz	WZQTWDUSOSPURL-UHFFFAOYSA-N	-1	0	289.335	0.969	20	30		CCEDRM
CC(C)(C#N)CS(=O)(=O)N[C@]1(C)CCOC1=O	ZINC000915752432	614288623	/nfs/dbraw/zinc/28/86/23/614288623.db2.gz	OOVJOXUBUWPJCO-SNVBAGLBSA-N	-1	0	260.315	0.161	20	30		CCEDRM
CC(C)c1nc(S(=O)(=O)[N-]C(=O)[C@H](C)CC#N)cn1C	ZINC000851079634	614321965	/nfs/dbraw/zinc/32/19/65/614321965.db2.gz	NIMQJYWKXBZNPX-SECBINFHSA-N	-1	0	298.368	0.898	20	30		CCEDRM
CC(CN1Cc2ccccc2C1=O)=NNCC(=O)[O-]	ZINC000814959195	614378465	/nfs/dbraw/zinc/37/84/65/614378465.db2.gz	SQWMKCTWDQWASA-UHFFFAOYSA-N	-1	0	261.281	0.693	20	30		CCEDRM
CCCCS(=O)(=O)[N-]C(=O)c1cccc(C#N)n1	ZINC000810518407	614468376	/nfs/dbraw/zinc/46/83/76/614468376.db2.gz	AAPXTMBQBDSCLK-UHFFFAOYSA-N	-1	0	267.310	0.813	20	30		CCEDRM
CCC(C)(C)OCC(=O)[N-]S(=O)(=O)CC1(C#N)CC1	ZINC000838855055	614505937	/nfs/dbraw/zinc/50/59/37/614505937.db2.gz	GQTQLYKNFDTJKN-UHFFFAOYSA-N	-1	0	288.369	0.941	20	30		CCEDRM
CCCn1cc(C(C)=NN[C@@H](CC)C(=O)[O-])nn1	ZINC000905468871	614524844	/nfs/dbraw/zinc/52/48/44/614524844.db2.gz	AVHQSBYYVKWOMZ-VIFPVBQESA-N	-1	0	253.306	0.865	20	30		CCEDRM
CCC(CC)(NS(=O)(=O)N(C)CCC#N)C(=O)[O-]	ZINC000828849255	614530397	/nfs/dbraw/zinc/53/03/97/614530397.db2.gz	UWACMQMMQUYDRN-UHFFFAOYSA-N	-1	0	277.346	0.310	20	30		CCEDRM
CCCNC(=S)NN=Cc1cc(C(=O)[O-])cn1C	ZINC000901153267	614877523	/nfs/dbraw/zinc/87/75/23/614877523.db2.gz	GTXFCTSVTAWQFI-UHFFFAOYSA-N	-1	0	268.342	0.931	20	30		CCEDRM
CCN(C)S(=O)(=O)[N-]C(=O)C(C#N)(CC)CC	ZINC000860567431	614883425	/nfs/dbraw/zinc/88/34/25/614883425.db2.gz	DFDDSABLKRHVPV-UHFFFAOYSA-N	-1	0	261.347	0.629	20	30		CCEDRM
CCCCCCCNC(=O)c1n[nH]c(=O)[n-]c1=O	ZINC000862358127	614902772	/nfs/dbraw/zinc/90/27/72/614902772.db2.gz	VPJNVGXNDSOIKQ-UHFFFAOYSA-N	-1	0	254.290	0.983	20	30		CCEDRM
CCCCCNC(=O)C(C#N)=C([O-])c1cnn(CC)n1	ZINC000815905130	614923947	/nfs/dbraw/zinc/92/39/47/614923947.db2.gz	ADRJWNYYBFOMPP-SNVBAGLBSA-N	-1	0	277.328	0.927	20	30		CCEDRM
CC1(S(=O)(=O)[N-]C(=O)COc2ccccc2C#N)CC1	ZINC000806025515	614934769	/nfs/dbraw/zinc/93/47/69/614934769.db2.gz	IIWVKYXLGNFYNJ-UHFFFAOYSA-N	-1	0	294.332	0.936	20	30		CCEDRM
CCC[C@@H](OC)C(=O)[N-]S(=O)(=O)CC1(C#N)CCC1	ZINC000835316402	615006996	/nfs/dbraw/zinc/00/69/96/615006996.db2.gz	SRWLUWMRRQXYIH-SNVBAGLBSA-N	-1	0	288.369	0.941	20	30		CCEDRM
CC1CC(C#N)(C(=O)N2CCO[C@@](C)(C(=O)[O-])C2)C1	ZINC000923099780	615011224	/nfs/dbraw/zinc/01/12/24/615011224.db2.gz	FVTPIWHMAQZAKK-BKDHPRRPSA-N	-1	0	266.297	0.628	20	30		CCEDRM
CCN(CCC#N)C(=O)COC(=O)CC1CN(C(=O)[O-])C1	ZINC000827112128	615022428	/nfs/dbraw/zinc/02/24/28/615022428.db2.gz	WQHJAFBCZOBJNQ-UHFFFAOYSA-N	-1	0	297.311	0.292	20	30		CCEDRM
CCN(CCC#N)C(=O)COC(=O)C=C1CN(C(=O)[O-])C1	ZINC000833857564	615022724	/nfs/dbraw/zinc/02/27/24/615022724.db2.gz	NBVMQUUHUBFMJQ-UHFFFAOYSA-N	-1	0	295.295	0.212	20	30		CCEDRM
CCN(C[C@@H](C)C#N)C(=O)COC(=O)[C@@H](C)CC(=O)[O-]	ZINC000829642322	615061754	/nfs/dbraw/zinc/06/17/54/615061754.db2.gz	JBHLZMWIRMALEE-UWVGGRQHSA-N	-1	0	284.312	0.649	20	30		CCEDRM
CCN(C[C@H](C)C#N)C(=O)C[C@@H]1CN(C(=O)[O-])CCO1	ZINC000827020029	615064845	/nfs/dbraw/zinc/06/48/45/615064845.db2.gz	KHDYBASXXDDTHV-GHMZBOCLSA-N	-1	0	283.328	0.763	20	30		CCEDRM
CCNc1nc(C(=O)N[C@H]2CCCN(O)C2=O)cs1	ZINC000854648674	615140180	/nfs/dbraw/zinc/14/01/80/615140180.db2.gz	HTFLROSRTZVUGK-ZETCQYMHSA-N	-1	0	284.341	0.685	20	30		CCEDRM
CCO[N-]C(=O)CNC(=O)N1CCC[C@H](CC#N)C1	ZINC000852399959	615360547	/nfs/dbraw/zinc/36/05/47/615360547.db2.gz	WBAULQJZGDDZSR-SNVBAGLBSA-N	-1	0	268.317	0.389	20	30		CCEDRM
CCO[N-]C(=O)CNC(=O)[C@@H](C)Oc1ccccc1C#N	ZINC000846497103	615368709	/nfs/dbraw/zinc/36/87/09/615368709.db2.gz	QEVMWYABMNMTJK-SNVBAGLBSA-N	-1	0	291.307	0.509	20	30		CCEDRM
CCOc1ccc(S(=O)(=O)[N-]C(=O)[C@H](C)CC#N)cn1	ZINC000850936883	615512548	/nfs/dbraw/zinc/51/25/48/615512548.db2.gz	LCHYVEKTFAXRCF-SECBINFHSA-N	-1	0	297.336	0.835	20	30		CCEDRM
CC[C@@H](NN=C1C(=O)Nc2cc(O)c(F)cc21)C(=O)[O-]	ZINC000834981315	615536153	/nfs/dbraw/zinc/53/61/53/615536153.db2.gz	MITPJBADGBPCBQ-SSDOTTSWSA-N	-1	0	281.243	0.640	20	30		CCEDRM
CC[C@@H](NN=C(C)CCC(=O)N(C)OC)C(=O)[O-]	ZINC000834981643	615536335	/nfs/dbraw/zinc/53/63/35/615536335.db2.gz	VGKGPWPETKJLAA-SECBINFHSA-N	-1	0	259.306	0.615	20	30		CCEDRM
CC[C@H](C)NC(=O)[C@H](C)OC(=O)[C@](C)(C#N)CC(=O)[O-]	ZINC000820266580	615679372	/nfs/dbraw/zinc/67/93/72/615679372.db2.gz	MIWZPGPCIBJYFH-RVBZMBCESA-N	-1	0	284.312	0.837	20	30		CCEDRM
CCc1cccc(OCC(=O)[N-]S(=O)(=O)CCC#N)c1	ZINC000835411608	615683981	/nfs/dbraw/zinc/68/39/81/615683981.db2.gz	MEQQVMSMDJMLIH-UHFFFAOYSA-N	-1	0	296.348	0.987	20	30		CCEDRM
CCn1ncc(C([O-])=C(C#N)C(=O)Nc2ccccn2)n1	ZINC000815915578	615694587	/nfs/dbraw/zinc/69/45/87/615694587.db2.gz	SOIUFUKIZSZLMJ-SECBINFHSA-N	-1	0	284.279	0.654	20	30		CCEDRM
CC[C@H](NN=Cc1nnn(C(C)(C)C)n1)C(=O)[O-]	ZINC000853349080	615819790	/nfs/dbraw/zinc/81/97/90/615819790.db2.gz	SRFAYWBNPHJOFL-ZETCQYMHSA-N	-1	0	254.294	0.215	20	30		CCEDRM
CC[C@H](NN=Cc1ccc(C(=O)OC)n1C)C(=O)[O-]	ZINC000814936657	615819879	/nfs/dbraw/zinc/81/98/79/615819879.db2.gz	FFGYPDITSYUMQP-VIFPVBQESA-N	-1	0	267.285	0.598	20	30		CCEDRM
CCc1noc(CN2CCN(C(=O)[O-])C[C@@H]2C#N)n1	ZINC000827675201	615838018	/nfs/dbraw/zinc/83/80/18/615838018.db2.gz	KGZRIZCMORJJBQ-QMMMGPOBSA-N	-1	0	265.273	0.320	20	30		CCEDRM
CC[S@@](C)(=O)=NS(=O)(=O)[N-][C@@H](C#N)C(C)C	ZINC000906065956	616011881	/nfs/dbraw/zinc/01/18/81/616011881.db2.gz	WAEAQHWPYDEYPE-VXJOIVPMSA-N	-1	0	267.376	0.487	20	30		CCEDRM
CN(C)c1ncc(CNC(=O)[C@@](C)(C#N)CC(=O)[O-])n1C	ZINC000820554194	616036192	/nfs/dbraw/zinc/03/61/92/616036192.db2.gz	IIPTXLILQCGGOC-CYBMUJFWSA-N	-1	0	293.327	0.107	20	30		CCEDRM
CN(CCC#N)C(=O)C[C@@H]1CSCCN1C(=O)[O-]	ZINC000828272456	616067591	/nfs/dbraw/zinc/06/75/91/616067591.db2.gz	CARQCPPFADWKCR-SECBINFHSA-N	-1	0	271.342	0.844	20	30		CCEDRM
CN(CCNC(=O)[C@@](C)(C#N)CC(=O)[O-])CC(F)(F)F	ZINC000820597202	616094705	/nfs/dbraw/zinc/09/47/05/616094705.db2.gz	HHJCABLGFGULAZ-SNVBAGLBSA-N	-1	0	295.261	0.601	20	30		CCEDRM
CN(C[C@H]1CCCO1)C(=O)[C@@](C)(C#N)CC(=O)[O-]	ZINC000820574174	616154310	/nfs/dbraw/zinc/15/43/10/616154310.db2.gz	FDRNQIBRGBSCRT-BXKDBHETSA-N	-1	0	254.286	0.628	20	30		CCEDRM
CN1CC[C@@](C)(C(=O)[N-]Oc2cccc(C#N)c2)C1=O	ZINC000825267398	616346116	/nfs/dbraw/zinc/34/61/16/616346116.db2.gz	JSJWNUYKGVHYTL-AWEZNQCLSA-N	-1	0	273.292	0.837	20	30		CCEDRM
COCCNC(=O)C(C#N)=C([O-])c1cc(C#N)oc1C	ZINC000797943560	616496515	/nfs/dbraw/zinc/49/65/15/616496515.db2.gz	SVHKZAJBYXDKEF-LLVKDONJSA-N	-1	0	275.264	0.545	20	30		CCEDRM
COCCNC(=O)C(C#N)=C([O-])c1cnn(C(F)F)c1	ZINC000870138368	616496600	/nfs/dbraw/zinc/49/66/00/616496600.db2.gz	KODQZACXUQFTRH-MRVPVSSYSA-N	-1	0	286.238	0.363	20	30		CCEDRM
COCCNC(=O)C(C#N)=C([O-])c1cocc1C	ZINC000860469765	616496705	/nfs/dbraw/zinc/49/67/05/616496705.db2.gz	UGQAWDBMEFKEHL-SECBINFHSA-N	-1	0	250.254	0.673	20	30		CCEDRM
COC(=O)[C@@]1(F)CCN(C(=O)[C@](C)(C#N)CC(=O)[O-])C1	ZINC000820654137	616549337	/nfs/dbraw/zinc/54/93/37/616549337.db2.gz	XTCCYCKKWULMEP-NWDGAFQWSA-N	-1	0	286.259	0.105	20	30		CCEDRM
COC(=O)C[C@@H](C)C(=O)C(C#N)=C([O-])c1nccn1C	ZINC000122498293	616631251	/nfs/dbraw/zinc/63/12/51/616631251.db2.gz	TWKUWLPIEPTKAK-RKDXNWHRSA-N	-1	0	277.280	0.511	20	30		CCEDRM
CO[C@@H]1CC[C@@H](C(=O)[N-]S(=O)(=O)CCC#N)C1	ZINC000851016366	616678595	/nfs/dbraw/zinc/67/85/95/616678595.db2.gz	RTOICYIYSSHUIK-RKDXNWHRSA-N	-1	0	260.315	0.161	20	30		CCEDRM
COC[C@H](NC(=O)c1ccc(CC#N)cc1)C(=O)[O-]	ZINC000910891306	616715558	/nfs/dbraw/zinc/71/55/58/616715558.db2.gz	YZMSPQFJSHYJSM-NSHDSACASA-N	-1	0	262.265	0.582	20	30		CCEDRM
COCC(COC)NN=Cc1cc(C(=O)[O-])c(C)[nH]1	ZINC000863194985	616736563	/nfs/dbraw/zinc/73/65/63/616736563.db2.gz	XZGTXTSWWXINPO-UHFFFAOYSA-N	-1	0	269.301	0.606	20	30		CCEDRM
CNC(=O)C(C#N)=C([O-])c1cn(-c2cccc(C)c2)nn1	ZINC000102121538	616778185	/nfs/dbraw/zinc/77/81/85/616778185.db2.gz	CCFVMAPFNISXPY-NSHDSACASA-N	-1	0	283.291	0.644	20	30		CCEDRM
COC[C@](C)(C#N)NC(=O)[C@H]1CC[C@H](NC(=O)[O-])C1	ZINC000828886420	616817134	/nfs/dbraw/zinc/81/71/34/616817134.db2.gz	VNSLAGMXERSPTK-AUTRQRHGSA-N	-1	0	269.301	0.468	20	30		CCEDRM
COC[C@](C)(NC(=O)c1ccc(C#N)[nH]1)C(=O)[O-]	ZINC000833720850	616831800	/nfs/dbraw/zinc/83/18/00/616831800.db2.gz	GUVSKCQAUWCULU-NSHDSACASA-N	-1	0	251.242	0.106	20	30		CCEDRM
CNC(=O)C(C#N)=C([O-])c1cnn2c1C[C@H](C)CC2	ZINC000842687718	616839223	/nfs/dbraw/zinc/83/92/23/616839223.db2.gz	AHNBFLZVNWKXCW-RKDXNWHRSA-N	-1	0	260.297	0.534	20	30		CCEDRM
CNC(=O)C(C#N)=C([O-])c1ccc(-n2cnnn2)c(C)c1	ZINC000917002515	616839394	/nfs/dbraw/zinc/83/93/94/616839394.db2.gz	PYBQAPNOGMYXPW-SNVBAGLBSA-N	-1	0	284.279	0.039	20	30		CCEDRM
CNC(=O)C(C#N)=C([O-])c1ccnc(O[C@@H]2CCOC2)c1	ZINC000755613220	616839524	/nfs/dbraw/zinc/83/95/24/616839524.db2.gz	OPSKNYDETVBXCV-GHMZBOCLSA-N	-1	0	289.291	0.318	20	30		CCEDRM
COCc1cc(C(=O)N2CCN(C(=O)[O-])C[C@H]2C#N)no1	ZINC000829035147	616878656	/nfs/dbraw/zinc/87/86/56/616878656.db2.gz	DJWNXQUUOGDQFP-MRVPVSSYSA-N	-1	0	294.267	0.149	20	30		CCEDRM
COC(=O)c1ccc(NCC(=O)NCC#N)cc1C(=O)[O-]	ZINC000831434855	616915675	/nfs/dbraw/zinc/91/56/75/616915675.db2.gz	HLGSGXAWJWIBRC-UHFFFAOYSA-N	-1	0	291.263	0.223	20	30		CCEDRM
CNC(=S)NN=Cc1ccccc1-c1nn[nH]n1	ZINC000826073092	616931817	/nfs/dbraw/zinc/93/18/17/616931817.db2.gz	DPDFITQVPNHUBB-UHFFFAOYSA-N	-1	0	261.314	0.295	20	30		CCEDRM
COC(=O)[C@@H](CC(=O)[O-])NC(=O)C#Cc1ccccc1	ZINC000831066050	616952991	/nfs/dbraw/zinc/95/29/91/616952991.db2.gz	HFZCMZGYGQUUOJ-LLVKDONJSA-N	-1	0	275.260	0.171	20	30		CCEDRM
COC[C@@](C)(C#N)NC(=O)CC1(NC(=O)[O-])CCC1	ZINC000828886720	617011267	/nfs/dbraw/zinc/01/12/67/617011267.db2.gz	WOBVXKIHRMPRSX-LLVKDONJSA-N	-1	0	269.301	0.612	20	30		CCEDRM
COC[C@H](C#N)OC(=O)c1csc(CNC(=O)[O-])n1	ZINC000833882613	617047396	/nfs/dbraw/zinc/04/73/96/617047396.db2.gz	PJXFNPVSSGAIJO-LURJTMIESA-N	-1	0	285.281	0.606	20	30		CCEDRM
CO[N-]C(=O)CNC(=O)C(F)(F)c1ccccc1C#N	ZINC000832744778	617109962	/nfs/dbraw/zinc/10/99/62/617109962.db2.gz	JMLOQAXKBMVGRA-UHFFFAOYSA-N	-1	0	283.234	0.444	20	30		CCEDRM
CO[N-]C(=O)CNC(=O)CCc1ccc(C#N)cc1	ZINC000832773678	617110180	/nfs/dbraw/zinc/11/01/80/617110180.db2.gz	YQLYNANAFLYMTJ-UHFFFAOYSA-N	-1	0	261.281	0.285	20	30		CCEDRM
CO[N-]C(=O)CNC(=O)[C@H](C)Cc1ccc(C#N)cc1	ZINC000832746306	617115750	/nfs/dbraw/zinc/11/57/50/617115750.db2.gz	YMZUEMUXNRCNEJ-SNVBAGLBSA-N	-1	0	275.308	0.531	20	30		CCEDRM
CO[C@@H](C)CCC(=O)[N-]S(=O)(=O)CC1(C#N)CC1	ZINC000793200978	617148129	/nfs/dbraw/zinc/14/81/29/617148129.db2.gz	HTUTURPPSGPAAO-VIFPVBQESA-N	-1	0	274.342	0.551	20	30		CCEDRM
COc1cc(C(=O)N2CCOC[C@H]2C(=O)[O-])ccc1C#N	ZINC000852943647	617156446	/nfs/dbraw/zinc/15/64/46/617156446.db2.gz	XRNDKUIOZYRMBO-NSHDSACASA-N	-1	0	290.275	0.492	20	30		CCEDRM
Cc1[nH]nc(C(=O)N2C[C@@H]3CC[C@H](NCC#N)[C@@H]3C2)c1[O-]	ZINC001026242665	625369152	/nfs/dbraw/zinc/36/91/52/625369152.db2.gz	ODTCBOLNYJLGKD-AXFHLTTASA-N	-1	0	289.339	0.388	20	30		CCEDRM
N#CCCCS(=O)(=O)[N-]C(=O)c1cnn2c1CCCC2	ZINC000181272646	625369913	/nfs/dbraw/zinc/36/99/13/625369913.db2.gz	OHVWIIJAJNPXMO-UHFFFAOYSA-N	-1	0	296.352	0.583	20	30		CCEDRM
CCN1CCO[C@H](C(=O)Nc2cc(C#N)ccc2[O-])C1	ZINC000179735263	623346275	/nfs/dbraw/zinc/34/62/75/623346275.db2.gz	ORNMIHBNWQPVTC-ZDUSSCGKSA-N	-1	0	275.308	0.923	20	30		CCEDRM
C#CCN(CC)S(=O)(=O)c1ccc(O)c(C(=O)[O-])c1	ZINC000108921020	623445422	/nfs/dbraw/zinc/44/54/22/623445422.db2.gz	NOKVRZBUOHWMKC-UHFFFAOYSA-N	-1	0	283.305	0.734	20	30		CCEDRM
C#CC[C@@H](NC(=O)C1Cc2ccccc2C1)C(=O)[O-]	ZINC000236432482	623504591	/nfs/dbraw/zinc/50/45/91/623504591.db2.gz	BDKQSNKOKWQBMQ-CYBMUJFWSA-N	-1	0	257.289	0.994	20	30		CCEDRM
C#CCCCCC(=O)[N-]S(=O)(=O)CCOCC	ZINC000180753899	623623517	/nfs/dbraw/zinc/62/35/17/623623517.db2.gz	AIYSAQCHMHUMIZ-UHFFFAOYSA-N	-1	0	261.343	0.663	20	30		CCEDRM
CCOCCCNC(=O)C(C#N)=C([O-])c1cnn(C)c1C	ZINC000124281990	625675568	/nfs/dbraw/zinc/67/55/68/625675568.db2.gz	DWRSZYJNWAHBKS-LLVKDONJSA-N	-1	0	292.339	0.594	20	30		CCEDRM
C#CCSCCNC(=O)N[C@@](C)(COC)C(=O)[O-]	ZINC000328485131	623886453	/nfs/dbraw/zinc/88/64/53/623886453.db2.gz	LTRSAOQFPBGLAN-NSHDSACASA-N	-1	0	274.342	0.142	20	30		CCEDRM
N#CCN[C@@H]1CCN(C(=O)c2ccc3oc(=O)nc-3[n-]2)C1	ZINC000970471774	624690551	/nfs/dbraw/zinc/69/05/51/624690551.db2.gz	FAANZVLBMRDEKS-MRVPVSSYSA-N	-1	0	287.279	0.256	20	30		CCEDRM
CCN(C[C@@H](C)C#N)S(=O)(=O)NCC[C@H](C)C(=O)[O-]	ZINC000844785237	624706284	/nfs/dbraw/zinc/70/62/84/624706284.db2.gz	KNFBMRGMGOKOLC-UWVGGRQHSA-N	-1	0	291.373	0.413	20	30		CCEDRM
Cc1cc(C(=O)[N-]S(C)(=O)=O)ccc1N1CCNC1=O	ZINC000049004007	624789215	/nfs/dbraw/zinc/78/92/15/624789215.db2.gz	HINLNPFODJOAIG-UHFFFAOYSA-N	-1	0	297.336	0.789	20	30		CCEDRM
CC(C)(C)[C@H](C#N)[N-]S(=O)(=O)N=S(C)(C)=O	ZINC000903095344	634535909	/nfs/dbraw/zinc/53/59/09/634535909.db2.gz	VCSJFCXZXMSLFG-ZETCQYMHSA-N	-1	0	267.376	0.487	20	30		CCEDRM
C=CCCCN(CC)C(=O)C(=O)N(C)C[C@@H](C)C(=O)[O-]	ZINC000904946032	634774096	/nfs/dbraw/zinc/77/40/96/634774096.db2.gz	BYLVGMSCUDZALG-LLVKDONJSA-N	-1	0	284.356	0.980	20	30		CCEDRM
N#CC1(CN=c2nn[n-]n2Cc2ccccc2)CC1	ZINC000893653747	631330760	/nfs/dbraw/zinc/33/07/60/631330760.db2.gz	SBTJBKSYFHRXNR-UHFFFAOYSA-N	-1	0	254.297	0.859	20	30		CCEDRM
N#CC1(CC(=O)[N-]S(=O)(=O)CC[C@H]2CCCO2)CC1	ZINC000893708215	631409151	/nfs/dbraw/zinc/40/91/51/631409151.db2.gz	CJGBXKQGLITCMC-SNVBAGLBSA-N	-1	0	286.353	0.695	20	30		CCEDRM
CC#CCCCC(=O)[N-]S(=O)(=O)N1CCCC1	ZINC000186222251	631965909	/nfs/dbraw/zinc/96/59/09/631965909.db2.gz	FJHBRQRANUUHMN-UHFFFAOYSA-N	-1	0	258.343	0.637	20	30		CCEDRM
C#C[C@@H](C)NS(=O)(=O)c1ccc(C(=O)[O-])c(C)c1	ZINC000310878341	632540661	/nfs/dbraw/zinc/54/06/61/632540661.db2.gz	UEQHQACLSOJJNJ-SECBINFHSA-N	-1	0	267.306	0.993	20	30		CCEDRM
N#Cc1c(F)cccc1N1CCOC[C@H]1C(=O)[O-]	ZINC000093396375	632634054	/nfs/dbraw/zinc/63/40/54/632634054.db2.gz	KNDGMQPMERSFGT-NSHDSACASA-N	-1	0	250.229	0.987	20	30		CCEDRM
N#CC[C@@H](NC(=O)[C@H]1C[C@H]1C(=O)[O-])C(F)(F)F	ZINC000899835888	633898427	/nfs/dbraw/zinc/89/84/27/633898427.db2.gz	PULWWCVRIBYTIQ-KVQBGUIXSA-N	-1	0	250.176	0.668	20	30		CCEDRM
N#C[C@H]1CCCN(C(=O)CNC(=O)c2ccc(O)cc2)C1	ZINC000900632125	634059263	/nfs/dbraw/zinc/05/92/63/634059263.db2.gz	IEIVUJLKZHFGCV-LLVKDONJSA-N	-1	0	287.319	0.884	20	30		CCEDRM
O=C([O-])c1coc(C=NNC(=S)NC2CC2)c1	ZINC000901136995	634197811	/nfs/dbraw/zinc/19/78/11/634197811.db2.gz	AJPCPRGCHSQBLT-UHFFFAOYSA-N	-1	0	253.283	0.938	20	30		CCEDRM
Cn1nc(C(=O)[O-])cc1C=NNC(=S)NC1CC1	ZINC000901137702	634198600	/nfs/dbraw/zinc/19/86/00/634198600.db2.gz	IOBWTJYMQLBTTP-UHFFFAOYSA-N	-1	0	267.314	0.079	20	30		CCEDRM
Cn1cc(C(=O)[O-])cc1C=NNC1CCOCC1	ZINC000901198597	634206262	/nfs/dbraw/zinc/20/62/62/634206262.db2.gz	MVKUZTDLLHMCNL-UHFFFAOYSA-N	-1	0	251.286	0.826	20	30		CCEDRM
Cc1n[nH]cc1S(=O)(=O)N[C@@H](CC#N)C(F)(F)F	ZINC000901771941	634275403	/nfs/dbraw/zinc/27/54/03/634275403.db2.gz	IEOCBDWCMNXNTL-ZETCQYMHSA-N	-1	0	282.247	0.841	20	30		CCEDRM
C[C@@H](C(=O)[O-])C1CN(S(=O)(=O)CC(C)(C)C#N)C1	ZINC000905993548	634945502	/nfs/dbraw/zinc/94/55/02/634945502.db2.gz	FYVZCFFRETVCBP-MRVPVSSYSA-N	-1	0	274.342	0.518	20	30		CCEDRM
N#Cc1nc(N2CC[C@@](O)(C(=O)[O-])C2)ccc1Cl	ZINC000906148893	634965316	/nfs/dbraw/zinc/96/53/16/634965316.db2.gz	DGTCYGKISZJZSS-NSHDSACASA-N	-1	0	267.672	0.632	20	30		CCEDRM
N#CC1(CC(=O)N2CCSC[C@@H]2c2nnn[n-]2)CC1	ZINC000907481327	635142089	/nfs/dbraw/zinc/14/20/89/635142089.db2.gz	VTVSUXOQUOXWGP-MRVPVSSYSA-N	-1	0	278.341	0.510	20	30		CCEDRM
C[C@H](CNC(=O)C1(C#N)CCSCC1)C(=O)[O-]	ZINC000907589968	635161361	/nfs/dbraw/zinc/16/13/61/635161361.db2.gz	XFSOFZBMXPVQFC-MRVPVSSYSA-N	-1	0	256.327	0.860	20	30		CCEDRM
O=C([O-])[C@]1(NC(=O)NCC#Cc2ccccc2)CCOC1	ZINC000908768174	635450966	/nfs/dbraw/zinc/45/09/66/635450966.db2.gz	GQEUCXVGHPAHQJ-HNNXBMFYSA-N	-1	0	288.303	0.581	20	30		CCEDRM
C#CCSCCNC(=O)N[C@H](CSC)C(=O)[O-]	ZINC000909051943	635504808	/nfs/dbraw/zinc/50/48/08/635504808.db2.gz	IWTPDXFZAURWBS-MRVPVSSYSA-N	-1	0	276.383	0.468	20	30		CCEDRM
C#Cc1cncc(C(=O)N2C[C@@H](C)O[C@H](C(=O)[O-])C2)c1	ZINC000910228872	635710129	/nfs/dbraw/zinc/71/01/29/635710129.db2.gz	YHEVCYHEXLUYAE-SKDRFNHKSA-N	-1	0	274.276	0.377	20	30		CCEDRM
C#CCN(C)S(=O)(=O)c1ccc(C)c(C(=O)[O-])c1	ZINC000164447171	636872816	/nfs/dbraw/zinc/87/28/16/636872816.db2.gz	RIEPLXJSZGMKES-UHFFFAOYSA-N	-1	0	267.306	0.947	20	30		CCEDRM
C#CCSCCNC(=O)N(CCOC)CC(=O)[O-]	ZINC000227421152	637025207	/nfs/dbraw/zinc/02/52/07/637025207.db2.gz	KGERAKJXNCNISL-UHFFFAOYSA-N	-1	0	274.342	0.095	20	30		CCEDRM
CC#CCS(=O)(=O)[N-]C(=O)C1SCCS1	ZINC000842345355	637086277	/nfs/dbraw/zinc/08/62/77/637086277.db2.gz	FSZOHPMWYPIFQH-UHFFFAOYSA-N	-1	0	265.381	0.262	20	30		CCEDRM
Cc1ccn2ncc(C([O-])=C(C#N)C(=O)NC(C)C)c2n1	ZINC000171037234	637113784	/nfs/dbraw/zinc/11/37/84/637113784.db2.gz	FKPFZYLWUDEWSX-SNVBAGLBSA-N	-1	0	285.307	0.885	20	30		CCEDRM
C=CCN(CC(=O)[O-])C(=O)NCCN1CCSCC1	ZINC000230942948	637193201	/nfs/dbraw/zinc/19/32/01/637193201.db2.gz	IODCVPDYJWXUPY-UHFFFAOYSA-N	-1	0	287.385	0.317	20	30		CCEDRM
COCCCNC(=O)C(C#N)=C([O-])c1cccnc1	ZINC000193358700	637727762	/nfs/dbraw/zinc/72/77/62/637727762.db2.gz	MUSGUDKKVQDJPZ-NSHDSACASA-N	-1	0	261.281	0.557	20	30		CCEDRM
Cc1cc(C#N)ccc1S(=O)(=O)NC[C@@H](F)C(=O)[O-]	ZINC000837295530	637783626	/nfs/dbraw/zinc/78/36/26/637783626.db2.gz	AHHQLFCBPUWKSY-SECBINFHSA-N	-1	0	286.284	0.568	20	30		CCEDRM
N#CC(C(=O)NC1CC1)=C([O-])c1ccc(NC(N)=O)cc1	ZINC000916927475	637932507	/nfs/dbraw/zinc/93/25/07/637932507.db2.gz	UQMBVDHBMNSBHH-NSHDSACASA-N	-1	0	286.291	0.778	20	30		CCEDRM
C#C[C@H](C)NC(=O)Cn1c(=O)c2ccccc2[n-]c1=S	ZINC000186328821	638895040	/nfs/dbraw/zinc/89/50/40/638895040.db2.gz	KCZCWIDIPDNWEM-VIFPVBQESA-N	-1	0	287.344	0.823	20	30		CCEDRM
COC[C@@H](C)S(=O)(=O)[N-]C(=O)c1cnn(C)c1C	ZINC000073839347	639836557	/nfs/dbraw/zinc/83/65/57/639836557.db2.gz	OIUPVVAFHSXPRO-SSDOTTSWSA-N	-1	0	275.330	0.398	20	30		CCEDRM
N#CC1(C(=O)N2C[C@H]3COCC[C@@]3(C(=O)[O-])C2)CCC1	ZINC000923072609	640013982	/nfs/dbraw/zinc/01/39/82/640013982.db2.gz	JEELYVHZDSHXMY-IINYFYTJSA-N	-1	0	278.308	0.630	20	30		CCEDRM
Cc1oc(C#N)cc1C(=O)[N-]S(=O)(=O)C[C@@H]1CCCO1	ZINC000797958225	640471847	/nfs/dbraw/zinc/47/18/47/640471847.db2.gz	IEIZATNULNTGIR-VIFPVBQESA-N	-1	0	298.320	0.698	20	30		CCEDRM
O=C([O-])Cn1cc(C=NN2CN=NC2=O)c2ccccc21	ZINC000799883643	640598780	/nfs/dbraw/zinc/59/87/80/640598780.db2.gz	KRXSTGCPBRSKPL-UHFFFAOYSA-N	-1	0	285.263	0.905	20	30		CCEDRM
N#Cc1nc(NC(=O)CCOCC(F)F)[n-]c1C#N	ZINC000802467127	640698506	/nfs/dbraw/zinc/69/85/06/640698506.db2.gz	NPJRRLUTBCBYKQ-UHFFFAOYSA-N	-1	0	269.211	0.763	20	30		CCEDRM
Cn1ccnc1C([O-])=C(C#N)C(=O)Cn1cc(Cl)cn1	ZINC000808991638	640883335	/nfs/dbraw/zinc/88/33/35/640883335.db2.gz	ICIHWZPACOGTFT-VIFPVBQESA-N	-1	0	291.698	0.862	20	30		CCEDRM
Cn1cnc(C([O-])=C(C#N)C(=O)NC2CCCCC2)n1	ZINC000810530274	640937210	/nfs/dbraw/zinc/93/72/10/640937210.db2.gz	ZPFQKGMGGSQOON-SNVBAGLBSA-N	-1	0	275.312	0.586	20	30		CCEDRM
N#Cc1cccc(C(=O)[N-]S(=O)(=O)C[C@@H]2CCCO2)n1	ZINC000810663923	640944068	/nfs/dbraw/zinc/94/40/68/640944068.db2.gz	JVCLEPQQJDBSIO-JTQLQIEISA-N	-1	0	295.320	0.192	20	30		CCEDRM
CC#CCS(=O)(=O)[N-]C(=O)C1(C(F)(F)F)CC1	ZINC000810775702	640949348	/nfs/dbraw/zinc/94/93/48/640949348.db2.gz	QJSNHPRGDYOIDO-UHFFFAOYSA-N	-1	0	269.244	0.798	20	30		CCEDRM
CC#CCS(=O)(=O)[N-]C(=O)c1cccc2nccnc21	ZINC000810774793	640949520	/nfs/dbraw/zinc/94/95/20/640949520.db2.gz	RDDIJWKZSPENOL-UHFFFAOYSA-N	-1	0	289.316	0.713	20	30		CCEDRM
N#Cc1cncc(S(=O)(=O)[N-]C(=O)C=C2CCC2)c1	ZINC000813982029	641051832	/nfs/dbraw/zinc/05/18/32/641051832.db2.gz	AMLFJQJWOIZOFV-UHFFFAOYSA-N	-1	0	277.305	0.868	20	30		CCEDRM
N#Cc1cncc(S(=O)(=O)[N-]C(=O)c2ccco2)c1	ZINC000813982402	641052296	/nfs/dbraw/zinc/05/22/96/641052296.db2.gz	ZIEDVSCPSVMADG-UHFFFAOYSA-N	-1	0	277.261	0.665	20	30		CCEDRM
O=c1[n-][nH]c(=O)n1N=Cc1ccc(-n2ccnc2)cc1	ZINC000814233209	641062263	/nfs/dbraw/zinc/06/22/63/641062263.db2.gz	GBTGCESKGQYYGV-UHFFFAOYSA-N	-1	0	270.252	0.757	20	30		CCEDRM
Cn1c(N)nc(Cl)c1C=[NH+][N-]c1ncnc2[n-]cnc21	ZINC000814813457	641076429	/nfs/dbraw/zinc/07/64/29/641076429.db2.gz	DVFRRYGBASYASJ-UHFFFAOYSA-N	-1	0	291.706	0.768	20	30		CCEDRM
NC(=O)CNC(=S)NN=Cc1cccc(O)c1Cl	ZINC000814844860	641077196	/nfs/dbraw/zinc/07/71/96/641077196.db2.gz	QTJUJKPUIOMZKE-UHFFFAOYSA-N	-1	0	286.744	0.329	20	30		CCEDRM
CS(=O)(=O)CC1CCC(=NNCC(=O)[O-])CC1	ZINC000814958998	641084907	/nfs/dbraw/zinc/08/49/07/641084907.db2.gz	FGYXLBALDBUKCM-UHFFFAOYSA-N	-1	0	262.331	0.251	20	30		CCEDRM
Cc1cc(C#N)cnc1C(=O)[N-]S(=O)(=O)CCCC#N	ZINC000816005619	641135981	/nfs/dbraw/zinc/13/59/81/641135981.db2.gz	TZIUKSRKBCNFDG-UHFFFAOYSA-N	-1	0	292.320	0.625	20	30		CCEDRM
C[C@@](C#N)(CC(=O)[O-])C(=O)N1CCC(CCC(N)=O)CC1	ZINC000819811478	641433896	/nfs/dbraw/zinc/43/38/96/641433896.db2.gz	PLALTGRWTPAGDX-AWEZNQCLSA-N	-1	0	295.339	0.495	20	30		CCEDRM
O=C(N[C@H]1CCN(O)C1=O)c1cnccc1C(F)(F)F	ZINC000820131519	641463908	/nfs/dbraw/zinc/46/39/08/641463908.db2.gz	JFAOFWPCVLCOFJ-QMMMGPOBSA-N	-1	0	289.213	0.820	20	30		CCEDRM
O=C(N[C@@H]1CCN(O)C1=O)c1cc(F)c([O-])c(Cl)c1	ZINC000820143308	641469328	/nfs/dbraw/zinc/46/93/28/641469328.db2.gz	GDUPCHXMSLBQCY-MRVPVSSYSA-N	-1	0	288.662	0.905	20	30		CCEDRM
Cn1ccnc1C=NNCc1ccc(-c2nn[nH]n2)cc1	ZINC000822699408	641695200	/nfs/dbraw/zinc/69/52/00/641695200.db2.gz	ZTCBGNUMFGYVPC-UHFFFAOYSA-N	-1	0	282.311	0.724	20	30		CCEDRM
N#Cc1c(-c2nnn[n-]2)ncn1Cc1ccc(C#N)cc1	ZINC000826385286	641934126	/nfs/dbraw/zinc/93/41/26/641934126.db2.gz	FOYHACHWCUPONE-UHFFFAOYSA-N	-1	0	276.263	0.855	20	30		CCEDRM
O=C([O-])c1ccc(NNC2=CC(=O)N3CCC[C@@H]23)cn1	ZINC000835010031	642646226	/nfs/dbraw/zinc/64/62/26/642646226.db2.gz	LXFGWJXWPIJILX-NSHDSACASA-N	-1	0	274.280	0.942	20	30		CCEDRM
N#CCCS(=O)(=O)[N-]C(=O)c1noc2c1CCCCC2	ZINC000835408290	642660497	/nfs/dbraw/zinc/66/04/97/642660497.db2.gz	GHGJMKAFTQOHKN-UHFFFAOYSA-N	-1	0	297.336	0.917	20	30		CCEDRM
CC#CC[C@H](NS(=O)(=O)c1c[nH]nc1Cl)C(=O)[O-]	ZINC000837287343	642733859	/nfs/dbraw/zinc/73/38/59/642733859.db2.gz	CVUCNSLWFIKMLD-LURJTMIESA-N	-1	0	291.716	0.208	20	30		CCEDRM
N#Cc1c[n-]c(=O)n(C[C@@H]2CC2(Cl)Cl)c1=O	ZINC000842616832	642916524	/nfs/dbraw/zinc/91/65/24/642916524.db2.gz	WOUWWLXCHPAHST-LURJTMIESA-N	-1	0	260.080	0.602	20	30		CCEDRM
C[C@H](Cc1ccc(C#N)cc1)C(=O)[N-]S(C)(=O)=O	ZINC000847618145	643538005	/nfs/dbraw/zinc/53/80/05/643538005.db2.gz	FYKANUFGIKZAKC-SECBINFHSA-N	-1	0	266.322	0.813	20	30		CCEDRM
C[C@@H](CNc1ccc(S(N)(=O)=O)cc1C#N)C(=O)[O-]	ZINC000848638244	643664211	/nfs/dbraw/zinc/66/42/11/643664211.db2.gz	QYLOEZNBKJNPMZ-ZETCQYMHSA-N	-1	0	283.309	0.338	20	30		CCEDRM
C[C@H](CC#N)C(=O)[N-]S(=O)(=O)N1CCc2ccccc21	ZINC000850814002	643815813	/nfs/dbraw/zinc/81/58/13/643815813.db2.gz	CIJWGZKYUAMWQV-SNVBAGLBSA-N	-1	0	293.348	0.960	20	30		CCEDRM
C#C[C@H](CCC)NC(=O)c1c[n-]n2c1nccc2=O	ZINC000857191010	644480162	/nfs/dbraw/zinc/48/01/62/644480162.db2.gz	GLPCSZNVPHKBQI-SECBINFHSA-N	-1	0	258.281	0.554	20	30		CCEDRM
N#CC(C(=O)NC1CC1)=C([O-])c1ccnc2ccnn21	ZINC000860471446	644803689	/nfs/dbraw/zinc/80/36/89/644803689.db2.gz	JXQYJQZGSIWOFH-SECBINFHSA-N	-1	0	269.264	0.330	20	30		CCEDRM
N#CC(C(=O)N1CCCC1)=C([O-])c1cn(C2CC2)nn1	ZINC000860461456	644803698	/nfs/dbraw/zinc/80/36/98/644803698.db2.gz	IWFCMCWHYLQCAY-JTQLQIEISA-N	-1	0	273.296	0.558	20	30		CCEDRM
Cc1cocc1C(=O)[N-]S(=O)(=O)CC1(C#N)CC1	ZINC000860650246	644818935	/nfs/dbraw/zinc/81/89/35/644818935.db2.gz	VMROXGGICZXQQZ-UHFFFAOYSA-N	-1	0	268.294	0.951	20	30		CCEDRM
C#CCO[C@@H](C)C(=O)[N-]S(=O)(=O)[C@H]1COC(C)(C)C1	ZINC000861138167	644858449	/nfs/dbraw/zinc/85/84/49/644858449.db2.gz	ADCINUOKXOYTHQ-VHSXEESVSA-N	-1	0	289.353	0.038	20	30		CCEDRM
O=C([O-])c1ccc(C=NN[C@@H]2CCCS(=O)(=O)C2)cc1	ZINC000863128423	645061258	/nfs/dbraw/zinc/06/12/58/645061258.db2.gz	NRKDVISUVAVIPA-GFCCVEGCSA-N	-1	0	296.348	0.886	20	30		CCEDRM
N#C[C@@]1(C(=O)[N-]O[C@H]2CCCCO2)CCCOC1	ZINC000865080093	645320378	/nfs/dbraw/zinc/32/03/78/645320378.db2.gz	JAINHEWNQKFXJP-JQWIXIFHSA-N	-1	0	254.286	0.881	20	30		CCEDRM
N#Cc1nccnc1N1CC(C[N-]C(=O)C(F)(F)F)C1	ZINC000866294064	645515357	/nfs/dbraw/zinc/51/53/57/645515357.db2.gz	KJTOOYNEIXQZCF-UHFFFAOYSA-N	-1	0	285.229	0.463	20	30		CCEDRM
N#Cc1ccc(S(=O)(=O)[N-]C(=O)[C@H]2CCCCO2)cc1	ZINC000121851742	645666945	/nfs/dbraw/zinc/66/69/45/645666945.db2.gz	KYNXUIJNYBPHCC-GFCCVEGCSA-N	-1	0	294.332	0.932	20	30		CCEDRM
N#Cc1cccc(NC2CN(C(=O)c3cc(=O)[nH][n-]3)C2)c1	ZINC000869338786	645874074	/nfs/dbraw/zinc/87/40/74/645874074.db2.gz	QBMDFKCWTQAIGC-UHFFFAOYSA-N	-1	0	283.291	0.057	20	30		CCEDRM
C[C@@]1(C(=O)[N-]S(=O)(=O)c2ccc(C#N)cc2)CCCO1	ZINC000119774473	651055008	/nfs/dbraw/zinc/05/50/08/651055008.db2.gz	NJPZVISGGDAZHB-ZDUSSCGKSA-N	-1	0	294.332	0.932	20	30		CCEDRM
N#Cc1cccc(ONC(=O)[C@@H]2CCNC(=O)CC2)c1	ZINC000870690791	646017650	/nfs/dbraw/zinc/01/76/50/646017650.db2.gz	UOKQCDBEIBTXFG-NSHDSACASA-N	-1	0	273.292	0.885	20	30		CCEDRM
Cc1ccc(S(=O)(=O)N(C)CCC(=O)[O-])c(C#N)c1	ZINC000871636571	646161041	/nfs/dbraw/zinc/16/10/41/646161041.db2.gz	MQYJMIGQHYTYPC-UHFFFAOYSA-N	-1	0	282.321	0.962	20	30		CCEDRM
Cc1ccc(S(=O)(=O)N2CC[C@@H](C(=O)[O-])C2)c(C#N)c1	ZINC000871636576	646161104	/nfs/dbraw/zinc/16/11/04/646161104.db2.gz	MUKYNWGXUCGPGA-SNVBAGLBSA-N	-1	0	294.332	0.962	20	30		CCEDRM
COc1cncc(C=Nn2c(=O)c(C)n[n-]c2=S)c1C	ZINC000872330086	646249344	/nfs/dbraw/zinc/24/93/44/646249344.db2.gz	GOPXWVUMFKKOOJ-UHFFFAOYSA-N	-1	0	291.336	0.830	20	30		CCEDRM
CS(=O)(=O)CCNN=Cc1ccc(F)c(F)c1[O-]	ZINC000872352493	646250355	/nfs/dbraw/zinc/25/03/55/646250355.db2.gz	UQRUYZLYBJDWIS-UHFFFAOYSA-N	-1	0	278.280	0.639	20	30		CCEDRM
O=C(Nc1ccc(C2CC2)nn1)N[C@@H]1CCCN(O)C1=O	ZINC000828012271	648306681	/nfs/dbraw/zinc/30/66/81/648306681.db2.gz	HUVWKLJBWSRRBB-SNVBAGLBSA-N	-1	0	291.311	0.856	20	30		CCEDRM
C#CCC1(NC(=O)c2[nH]nc(C)c2[O-])CCOCC1	ZINC000925431307	648433515	/nfs/dbraw/zinc/43/35/15/648433515.db2.gz	VQYMFMSSCYBURS-UHFFFAOYSA-N	-1	0	263.297	0.726	20	30		CCEDRM
N#CC1(CS(=O)(=O)N2CCC[C@@H]3C[C@@]32C(=O)[O-])CC1	ZINC000926606256	648512715	/nfs/dbraw/zinc/51/27/15/648512715.db2.gz	XVJCPLXHVSULPY-SKDRFNHKSA-N	-1	0	284.337	0.559	20	30		CCEDRM
Cn1cc(S(=O)(=O)[N-]C(=O)c2cc(C3CC3)n[nH]2)cn1	ZINC000075801571	649362609	/nfs/dbraw/zinc/36/26/09/649362609.db2.gz	VVCBEOJHYXUESO-UHFFFAOYSA-N	-1	0	295.324	0.714	20	30		CCEDRM
C=CCN(CC(=O)[O-])C(=O)c1cccc([N+](=O)[O-])c1N	ZINC000191263395	649470869	/nfs/dbraw/zinc/47/08/69/649470869.db2.gz	DSQSFSYGHRGOJV-UHFFFAOYSA-N	-1	0	279.252	0.890	20	30		CCEDRM
COCCNC(=O)C(C#N)=C([O-])c1cc(C(C)C)[nH]n1	ZINC000193424135	649538019	/nfs/dbraw/zinc/53/80/19/649538019.db2.gz	USBOTUOPPXJKMW-SECBINFHSA-N	-1	0	278.312	0.618	20	30		CCEDRM
C#CCN(CC(=O)[O-])S(=O)(=O)c1ccc(C)c(F)c1	ZINC000092479790	649724364	/nfs/dbraw/zinc/72/43/64/649724364.db2.gz	NWCJUFUCCILKBZ-UHFFFAOYSA-N	-1	0	285.296	0.843	20	30		CCEDRM
N#Cc1ccc(F)cc1OC(=O)[C@H](O)CC(=O)[O-]	ZINC001230636356	805637118	/nfs/dbraw/zinc/63/71/18/805637118.db2.gz	JQTPLQWHOICJPJ-MRVPVSSYSA-N	-1	0	253.185	0.438	20	30		CCEDRM
C#CCSCCNC(=O)N[C@H]1C[C@H](C(=O)[O-])C1	ZINC000693045221	790706722	/nfs/dbraw/zinc/70/67/22/790706722.db2.gz	RBMUPZXGTRPEFD-KYZUINATSA-N	-1	0	256.327	0.515	20	30		CCEDRM
C=CC(=O)OC[C@H](COC(=O)C(=C)C)Oc1n[nH]c(=O)[n-]1	ZINC001231305509	805773033	/nfs/dbraw/zinc/77/30/33/805773033.db2.gz	ROAWYQAPZGOCSI-MRVPVSSYSA-N	-1	0	297.267	0.106	20	30		CCEDRM
N#Cc1ccc(CN2CC(N3CCOCC3)C2)c(O)c1	ZINC001233386283	806051721	/nfs/dbraw/zinc/05/17/21/806051721.db2.gz	NNASBCFCTRGIQI-UHFFFAOYSA-N	-1	0	273.336	0.780	20	30		CCEDRM
C=CCOC[C@H](CS(=O)(=O)[O-])Oc1cnc(C#N)nc1	ZINC001233710665	806108939	/nfs/dbraw/zinc/10/89/39/806108939.db2.gz	WLUHRZHKPBYMNQ-SNVBAGLBSA-N	-1	0	299.308	0.186	20	30		CCEDRM
C=CCN1CC[C@H](N(C)C(=O)c2c[n-]ncc2=O)C1=O	ZINC001120647926	798902673	/nfs/dbraw/zinc/90/26/73/798902673.db2.gz	OTJWLSCUIQBGDJ-JTQLQIEISA-N	-1	0	276.296	0.041	20	30		CCEDRM
C#CCN(CC#CC)c1nnc(-c2cc(=O)n(C)[n-]2)n1CC	ZINC001121858398	799079413	/nfs/dbraw/zinc/07/94/13/799079413.db2.gz	ZWCRMUOLVKLVRG-UHFFFAOYSA-N	-1	0	298.350	0.867	20	30		CCEDRM
COCCNC(=O)C(C#N)=C([O-])c1cc(Cl)n(C)n1	ZINC001122449149	799237525	/nfs/dbraw/zinc/23/75/25/799237525.db2.gz	QBYZXMMSPFTYJX-SSDOTTSWSA-N	-1	0	284.703	0.159	20	30		CCEDRM
CCN(C)C(=O)c1cccc(C([O-])=C(C#N)C(=O)NC)c1	ZINC001122493498	799248799	/nfs/dbraw/zinc/24/87/99/799248799.db2.gz	RTKJRSVUWOMRAQ-LBPRGKRZSA-N	-1	0	287.319	0.847	20	30		CCEDRM
C=C(C)C[C@@H](NC(=O)[C@@H]1OC[C@@H]2COCC[C@H]12)C(=O)[O-]	ZINC001123385241	799402157	/nfs/dbraw/zinc/40/21/57/799402157.db2.gz	QKMODPVZLYLKOW-NNYUYHANSA-N	-1	0	283.324	0.574	20	30		CCEDRM
C[C@H]1CCCC[C@H]1OCC(=O)[N-]S(=O)(=O)CCC#N	ZINC000835412977	799926848	/nfs/dbraw/zinc/92/68/48/799926848.db2.gz	XLUJDWUFNOYPPJ-WDEREUQCSA-N	-1	0	288.369	0.941	20	30		CCEDRM
N#Cc1cc(NC(=O)[C@@H]2CCC(=O)N2)c([O-])cc1F	ZINC001143124322	800195682	/nfs/dbraw/zinc/19/56/82/800195682.db2.gz	NYAIVNQNZWWWPO-QMMMGPOBSA-N	-1	0	263.228	0.620	20	30		CCEDRM
N=C(c1nonc1N)N(O)C(=O)c1cn2c(n1)CCCC2	ZINC001153391962	800628222	/nfs/dbraw/zinc/62/82/22/800628222.db2.gz	DTLIJIWZSKURAV-UHFFFAOYSA-N	-1	0	291.271	0.042	20	30		CCEDRM
Cc1cc(C#N)c(=O)[n-]c1C(=O)N[C@H]1C[C@H](CO)C1	ZINC001156464631	801170424	/nfs/dbraw/zinc/17/04/24/801170424.db2.gz	WBZSRKRAMULFTE-CZMCAQCFSA-N	-1	0	261.281	0.468	20	30		CCEDRM
CO[N-]C(=O)CNC(=O)c1c[nH]c2cccc(C#N)c21	ZINC001157837007	801498380	/nfs/dbraw/zinc/49/83/80/801498380.db2.gz	SVSUZXHLZFXAGX-UHFFFAOYSA-N	-1	0	272.264	0.447	20	30		CCEDRM
C=CCO[N-]C(=O)[C@@H](CCSC)NC(=O)CC	ZINC001158208241	801595500	/nfs/dbraw/zinc/59/55/00/801595500.db2.gz	CGWCYFLPHRSRAR-SECBINFHSA-N	-1	0	260.359	0.868	20	30		CCEDRM
C=C[C@H](O)C(=O)N[C@H](c1nc(=O)o[n-]1)C(C)(C)C	ZINC001162936937	802440546	/nfs/dbraw/zinc/44/05/46/802440546.db2.gz	VYGBQKCZMLTDNK-NKWVEPMBSA-N	-1	0	255.274	0.113	20	30		CCEDRM
Cn1cnc([N-]S(=O)(=O)CCC(F)(F)F)c1C#N	ZINC001259866629	808787937	/nfs/dbraw/zinc/78/79/37/808787937.db2.gz	IYXPZWIUPNEFOZ-UHFFFAOYSA-N	-1	0	282.247	0.986	20	30		CCEDRM
C=CCS(=O)(=O)[N-]c1ncnc2c1ncn2CC	ZINC001259922625	808803980	/nfs/dbraw/zinc/80/39/80/808803980.db2.gz	DNUURCGMYCJGMQ-UHFFFAOYSA-N	-1	0	267.314	0.774	20	30		CCEDRM
N#Cc1nc(NC(=O)[C@H]2C[C@H]3CC(=O)[C@@H]2C3)[n-]c1C#N	ZINC001163738213	802601202	/nfs/dbraw/zinc/60/12/02/802601202.db2.gz	PYNLESVVFYPGKM-RNJXMRFFSA-N	-1	0	269.264	0.707	20	30		CCEDRM
N#Cc1c(N)nn(-c2c(F)cc(C(=O)[O-])cc2F)c1N	ZINC001215612190	803821024	/nfs/dbraw/zinc/82/10/24/803821024.db2.gz	RYTBGCNREQXBPO-UHFFFAOYSA-N	-1	0	279.206	0.885	20	30		CCEDRM
C#CCN(CC#CC)S(=O)(=O)[C@@H]1CC[C@@H]1C(=O)[O-]	ZINC001465111048	804113336	/nfs/dbraw/zinc/11/33/36/804113336.db2.gz	RISHUNBHZVVUGD-WDEREUQCSA-N	-1	0	269.322	0.138	20	30		CCEDRM
C=CCC[C@@H](NS(=O)(=O)c1cnn(C)c1)C(=O)[O-]	ZINC000315951646	804659229	/nfs/dbraw/zinc/65/92/29/804659229.db2.gz	VETQSVIXCPECFH-SECBINFHSA-N	-1	0	273.314	0.118	20	30		CCEDRM
C=CCCCO[C@@H](CN1CCOCC1)CS(=O)(=O)[O-]	ZINC001224510771	805043565	/nfs/dbraw/zinc/04/35/65/805043565.db2.gz	DJFZFEPURGHCSV-LBPRGKRZSA-N	-1	0	293.385	0.558	20	30		CCEDRM
C=C(C)C(=O)OC[C@@H](C)OCCS(=O)(=O)[O-]	ZINC001224569559	805056478	/nfs/dbraw/zinc/05/64/78/805056478.db2.gz	VAWSJGFHGCOIFC-MRVPVSSYSA-N	-1	0	252.288	0.399	20	30		CCEDRM
C=CCOC[C@@H](CS(=O)(=O)[O-])Oc1cccnc1	ZINC001225287502	805119111	/nfs/dbraw/zinc/11/91/11/805119111.db2.gz	NTWLJUBRSJTFEB-NSHDSACASA-N	-1	0	273.310	0.919	20	30		CCEDRM
N#Cc1ccc(OC(=O)[C@@H](O)CC(=O)[O-])cc1F	ZINC001225352852	805122370	/nfs/dbraw/zinc/12/23/70/805122370.db2.gz	DDFIZPOJKBNIJY-VIFPVBQESA-N	-1	0	253.185	0.438	20	30		CCEDRM
C=C[C@H](Oc1[nH]c(=O)ncc1C(=O)OCC)C(=O)OC	ZINC001225899413	805174101	/nfs/dbraw/zinc/17/41/01/805174101.db2.gz	LNHIVTVGGWFNBO-QMMMGPOBSA-N	-1	0	282.252	0.465	20	30		CCEDRM
C#CC[C@H](C)Oc1nc(=O)[n-]c(C(=O)OC)c1[N+](=O)[O-]	ZINC001226649009	805260695	/nfs/dbraw/zinc/26/06/95/805260695.db2.gz	IDGZLJVFEBKVPD-LURJTMIESA-N	-1	0	281.224	0.668	20	30		CCEDRM
N#CCN1CC[C@H](Oc2nc[n-]c(=O)c2Br)C1	ZINC001226721125	805271003	/nfs/dbraw/zinc/27/10/03/805271003.db2.gz	FRKSBNCRWVLAKF-ZETCQYMHSA-N	-1	0	299.128	0.921	20	30		CCEDRM
N#Cc1ccc(OC(=O)[C@H](O)CC(=O)[O-])cc1Cl	ZINC001227204414	805331669	/nfs/dbraw/zinc/33/16/69/805331669.db2.gz	JIILECONYVCTBV-SECBINFHSA-N	-1	0	269.640	0.953	20	30		CCEDRM
N#CCCN1CC(Oc2nc(=O)[n-]c3c2COC3)C1	ZINC001227686531	805380207	/nfs/dbraw/zinc/38/02/07/805380207.db2.gz	RSRUBUBWPSMHNW-UHFFFAOYSA-N	-1	0	262.269	0.189	20	30		CCEDRM
C=C[C@@H](Oc1c[n-]c(C(=O)OC)cc1=O)C(=O)OC	ZINC001227787231	805388667	/nfs/dbraw/zinc/38/86/67/805388667.db2.gz	ZXGBINNZYUYPCC-SECBINFHSA-N	-1	0	267.237	0.268	20	30		CCEDRM
C#CC(C#C)Oc1[nH]c(=S)ncc1C(=O)OCC	ZINC001228552001	805455766	/nfs/dbraw/zinc/45/57/66/805455766.db2.gz	GDLJWOLJULYWJS-UHFFFAOYSA-N	-1	0	262.290	0.956	20	30		CCEDRM
Cc1nc(O[C@@H]2C=CC(=O)C2)c([N+](=O)[O-])c(=O)[n-]1	ZINC001229379203	805527129	/nfs/dbraw/zinc/52/71/29/805527129.db2.gz	SLPMQTCLTGCGLU-SSDOTTSWSA-N	-1	0	251.198	0.675	20	30		CCEDRM
C#CCCc1cc(=O)n(-c2ccccc2S(N)(=O)=O)[n-]1	ZINC001245951463	807102579	/nfs/dbraw/zinc/10/25/79/807102579.db2.gz	DBDAPOKWEDVINP-UHFFFAOYSA-N	-1	0	291.332	0.791	20	30		CCEDRM
N#Cc1c([O-])csc1NC[C@@H](O)CN1CCOCC1	ZINC001251005422	807637176	/nfs/dbraw/zinc/63/71/76/807637176.db2.gz	BTYCAZZPLMTGED-SECBINFHSA-N	-1	0	283.353	0.430	20	30		CCEDRM
C=CCn1cnc2c1ncnc2[N-]S(=O)(=O)CC	ZINC001253285009	808041587	/nfs/dbraw/zinc/04/15/87/808041587.db2.gz	ZCRGGJRWYNSASY-UHFFFAOYSA-N	-1	0	267.314	0.774	20	30		CCEDRM
C=C[C@H](O)CNc1cccc2c(=O)cc(-c3nnn[n-]3)oc12	ZINC001253592513	808094337	/nfs/dbraw/zinc/09/43/37/808094337.db2.gz	QMAVHWHYJGXFGJ-QMMMGPOBSA-N	-1	0	299.290	0.932	20	30		CCEDRM
C#CCOCCOCc1cn(C(C)(C)CC(=O)[O-])nn1	ZINC001254094396	808180234	/nfs/dbraw/zinc/18/02/34/808180234.db2.gz	VDBNVYWIVWMYLD-UHFFFAOYSA-N	-1	0	281.312	0.654	20	30		CCEDRM
C#CC[S@@](=O)Cc1cn(-c2ccc(C(=O)[O-])cc2)nn1	ZINC001254098700	808181532	/nfs/dbraw/zinc/18/15/32/808181532.db2.gz	LVDZHWJSUPNSOM-HXUWFJFHSA-N	-1	0	289.316	0.847	20	30		CCEDRM
COC(=O)[C@H](CCC(=O)[O-])N[C@@H]1CC[C@H](C#N)C1	ZINC001254639612	808268649	/nfs/dbraw/zinc/26/86/49/808268649.db2.gz	WRTNINJVYSWMAI-AEJSXWLSSA-N	-1	0	254.286	0.675	20	30		CCEDRM
COC(=O)[C@H](CCC(=O)[O-])N[C@@H]1CC[C@@H](C#N)C1	ZINC001254639624	808268965	/nfs/dbraw/zinc/26/89/65/808268965.db2.gz	WRTNINJVYSWMAI-BBBLOLIVSA-N	-1	0	254.286	0.675	20	30		CCEDRM
N#Cc1ccc(S(=O)(=O)[N-]c2oncc2C(N)=O)cc1	ZINC001258045688	808651515	/nfs/dbraw/zinc/65/15/15/808651515.db2.gz	VAMCHJVDIAKTDA-UHFFFAOYSA-N	-1	0	292.276	0.446	20	30		CCEDRM
N#Cc1ccccc1S(=O)(=O)[N-]c1oncc1C(N)=O	ZINC001258208460	808664389	/nfs/dbraw/zinc/66/43/89/808664389.db2.gz	QLWQFXKBCPLKNT-UHFFFAOYSA-N	-1	0	292.276	0.446	20	30		CCEDRM
Cc1nsc([N-]S(=O)(=O)c2cn(C)cn2)c1C#N	ZINC001258992397	808707242	/nfs/dbraw/zinc/70/72/42/808707242.db2.gz	OZFAWARGXSUZFC-UHFFFAOYSA-N	-1	0	283.338	0.858	20	30		CCEDRM
Cn1cnc(S(=O)(=O)[N-]c2cccnc2C#N)c1	ZINC001258992749	808707657	/nfs/dbraw/zinc/70/76/57/808707657.db2.gz	CBCPXGVWLCGCKU-UHFFFAOYSA-N	-1	0	263.282	0.488	20	30		CCEDRM
Cc1ccc(S(=O)(=O)N[C@@H]2C(=O)N(O)C[C@@H]2C)cc1C	ZINC001259170318	808736456	/nfs/dbraw/zinc/73/64/56/808736456.db2.gz	RWYIMIBTZUVRJE-JQWIXIFHSA-N	-1	0	298.364	0.818	20	30		CCEDRM
Cc1cnc(C#N)c([N-]S(=O)(=O)c2cnn(C)c2)c1	ZINC001259820596	808775872	/nfs/dbraw/zinc/77/58/72/808775872.db2.gz	FLADVXFKXKNFAF-UHFFFAOYSA-N	-1	0	277.309	0.796	20	30		CCEDRM
C=CCS(=O)(=O)Nc1ccc(S(=O)(=O)[O-])cc1	ZINC001259929968	808808320	/nfs/dbraw/zinc/80/83/20/808808320.db2.gz	BZFNXBNIDGUIDB-UHFFFAOYSA-N	-1	0	277.323	0.861	20	30		CCEDRM
Cn1ccc(S(=O)(=O)[N-]c2ccc(C#N)nc2)n1	ZINC001259938957	808813508	/nfs/dbraw/zinc/81/35/08/808813508.db2.gz	ZBRQBWKQHMIGJA-UHFFFAOYSA-N	-1	0	263.282	0.488	20	30		CCEDRM
Cn1ccc(S(=O)(=O)[N-]c2ccc(O)cc2C#N)n1	ZINC001259944379	808815846	/nfs/dbraw/zinc/81/58/46/808815846.db2.gz	TZELBZBVKCRIFR-UHFFFAOYSA-N	-1	0	278.293	0.798	20	30		CCEDRM
C#Cc1cc([N-]S(=O)(=O)c2c(C)nn(C)c2C)ccn1	ZINC001260105091	808851421	/nfs/dbraw/zinc/85/14/21/808851421.db2.gz	IYIZZBFKRLDSIB-UHFFFAOYSA-N	-1	0	290.348	0.636	20	30		CCEDRM
C#CC1([N-]S(=O)(=O)c2nc3nc(Cl)ccn3n2)CC1	ZINC001260180340	808854796	/nfs/dbraw/zinc/85/47/96/808854796.db2.gz	MVDNVXQNUDQEQT-UHFFFAOYSA-N	-1	0	297.727	0.222	20	30		CCEDRM
O=C([O-])c1cc(S(=O)(=O)NCCCS)ccc1O	ZINC001260402269	808860041	/nfs/dbraw/zinc/86/00/41/808860041.db2.gz	CTAYAIBQKSXVJJ-UHFFFAOYSA-N	-1	0	291.350	0.689	20	30		CCEDRM
C#Cc1nccnc1[N-]S(=O)(=O)c1cn(C)c(C)n1	ZINC001260542398	808863423	/nfs/dbraw/zinc/86/34/23/808863423.db2.gz	SEMOVLGYUJKXMW-UHFFFAOYSA-N	-1	0	277.309	0.301	20	30		CCEDRM
CS(=O)(=O)CS(=O)(=O)[N-]c1c(C#N)cccc1C#N	ZINC001260591457	808871176	/nfs/dbraw/zinc/87/11/76/808871176.db2.gz	UVCIMRQEOULHEZ-UHFFFAOYSA-N	-1	0	299.333	0.174	20	30		CCEDRM
Cc1n[nH]c(C)c1S(=O)(=O)[N-]c1cncc(C#N)n1	ZINC001261023320	808898525	/nfs/dbraw/zinc/89/85/25/808898525.db2.gz	AMWMUYVUGUIUBX-UHFFFAOYSA-N	-1	0	278.297	0.489	20	30		CCEDRM
C=CCCCS(=O)(=O)N1CCN(CCC(=O)[O-])CC1	ZINC001261223844	808931909	/nfs/dbraw/zinc/93/19/09/808931909.db2.gz	KMQZUOYSZAEDCD-UHFFFAOYSA-N	-1	0	290.385	0.375	20	30		CCEDRM
C=C[C@@H](O)C(=O)N[C@H]1CCOC2(CC(C(=O)[O-])C2)C1	ZINC001262179439	809225316	/nfs/dbraw/zinc/22/53/16/809225316.db2.gz	PAXQBTZFVBCACQ-CABQIACGSA-N	-1	0	269.297	0.062	20	30		CCEDRM
CNC(=O)C(C#N)=C([O-])c1ccc(F)c(S(C)(=O)=O)c1	ZINC001263294487	809504683	/nfs/dbraw/zinc/50/46/83/809504683.db2.gz	ZBBIGCKXIRUVRP-MRVPVSSYSA-N	-1	0	298.295	0.298	20	30		CCEDRM
C=CC[C@H](NC(=O)[C@H]1Cc2cccnc2C1)C(=O)[O-]	ZINC001263630728	809543550	/nfs/dbraw/zinc/54/35/50/809543550.db2.gz	WAUALKFADPTJON-QWRGUYRKSA-N	-1	0	260.293	0.942	20	30		CCEDRM
C=C(CC(C)C)C(=O)N1CCC(O)(c2nnn[n-]2)CC1	ZINC001263815752	809576312	/nfs/dbraw/zinc/57/63/12/809576312.db2.gz	IRBZQPFRLHYBII-UHFFFAOYSA-N	-1	0	279.344	0.612	20	30		CCEDRM
CCC1=C(OCC[P@@](=O)([O-])O)C(=O)[C@H](C)O1	ZINC001224606082	815321001	/nfs/dbraw/zinc/32/10/01/815321001.db2.gz	LYHBEFDZQHAOOK-LURJTMIESA-N	-1	0	250.187	0.790	20	30		CCEDRM
C[C@]1(C#N)CCN(C(=O)N[C@H]2C[C@H](C(=O)[O-])C2)C1	ZINC000694558810	811477724	/nfs/dbraw/zinc/47/77/24/811477724.db2.gz	COPBWDKFZSNZTE-KBVBSXBZSA-N	-1	0	251.286	0.795	20	30		CCEDRM
N#Cc1cc(NC(=O)[C@@H]2CCCS2(=O)=O)c([O-])cc1F	ZINC001143476861	811498911	/nfs/dbraw/zinc/49/89/11/811498911.db2.gz	KZDUJEJHRLKOGN-NSHDSACASA-N	-1	0	298.295	0.919	20	30		CCEDRM
Cc1ccc(C#N)nc1N[C@@H]1C(=O)N(S(=O)(=O)[O-])[C@H]1C	ZINC001167858179	812317828	/nfs/dbraw/zinc/31/78/28/812317828.db2.gz	MTMYBPOHABADJC-CBAPKCEASA-N	-1	0	296.308	0.076	20	30		CCEDRM
C=CCCS(=O)(=O)N[C@@H](Cc1cncs1)C(=O)[O-]	ZINC000710578877	819857250	/nfs/dbraw/zinc/85/72/50/819857250.db2.gz	DGHQMPZBGJGKFD-VIFPVBQESA-N	-1	0	290.366	0.634	20	30		CCEDRM
C=CC[C@H](C(=O)N[C@H](CO)C(=O)[O-])c1ccccc1	ZINC001119649827	821411258	/nfs/dbraw/zinc/41/12/58/821411258.db2.gz	ZEGWHUCHUFJIFJ-NWDGAFQWSA-N	-1	0	263.293	0.908	20	30		CCEDRM
C=CCN(CC(=O)[O-])C(=O)NCC1=CCCOC1	ZINC000379575793	822197551	/nfs/dbraw/zinc/19/75/51/822197551.db2.gz	YGBZAZCODFHZMY-UHFFFAOYSA-N	-1	0	254.286	0.615	20	30		CCEDRM
N#Cc1nc(Cl)cnc1N[C@@H]1SC(=O)[N-]C1=O	ZINC001155837131	822257322	/nfs/dbraw/zinc/25/73/22/822257322.db2.gz	KBRKEKFHJQFYNW-SSDOTTSWSA-N	-1	0	269.673	0.723	20	30		CCEDRM
C=CCOC[C@H](CS(=O)(=O)[O-])OC[C@@H]1CCCO1	ZINC001205991216	822329515	/nfs/dbraw/zinc/32/95/15/822329515.db2.gz	BXXCSHUYACGWNF-WDEREUQCSA-N	-1	0	280.342	0.641	20	30		CCEDRM
C#CCOc1ccc(CNC(=O)c2n[nH]c(=O)[n-]2)cc1	ZINC001183508760	844026987	/nfs/dbraw/zinc/02/69/87/844026987.db2.gz	NSHJARBKSHQFKZ-UHFFFAOYSA-N	-1	0	272.264	0.452	20	30		CCEDRM
Cc1ccc(C(=Nc2ccc(C(=O)[O-])nn2)NO)nc1	ZINC001169405215	836256588	/nfs/dbraw/zinc/25/65/88/836256588.db2.gz	GGJWNMHTNMBFSE-UHFFFAOYSA-N	-1	0	273.252	0.935	20	30		CCEDRM
COC(=O)n1ncc(C#N)c1[N-]c1ncc(C#N)cn1	ZINC001169961312	836489462	/nfs/dbraw/zinc/48/94/62/836489462.db2.gz	MEZCDCZKNMRCPS-UHFFFAOYSA-N	-1	0	269.224	0.775	20	30		CCEDRM
CN1C[C@H](NC(=O)CCC(=O)C2=CC=C[CH]2)CCC1=O	ZINC001184244012	844187940	/nfs/dbraw/zinc/18/79/40/844187940.db2.gz	LMQCLUZHNJBIKZ-GFCCVEGCSA-N	-1	0	275.328	0.773	20	30		CCEDRM
O=C(CCC(=O)C1=CC=C[CH]1)NC1CN(C2COC2)C1	ZINC001184247411	844188787	/nfs/dbraw/zinc/18/87/87/844188787.db2.gz	OBPXMTSGZMMWEO-UHFFFAOYSA-N	-1	0	275.328	0.235	20	30		CCEDRM
N#C[N-]C(=O)[C@H]1CN(c2cccc(C#N)c2)C(=O)O1	ZINC001184377130	844225464	/nfs/dbraw/zinc/22/54/64/844225464.db2.gz	YKFOTMAVZREDJT-SNVBAGLBSA-N	-1	0	256.221	0.481	20	30		CCEDRM
C[C@H]1CN(C(=O)c2cnc[nH]c2=O)CC[C@@H]1CNCC#N	ZINC001184629539	844269941	/nfs/dbraw/zinc/26/99/41/844269941.db2.gz	HZUWDSPLZWLDDD-WDEREUQCSA-N	-1	0	289.339	0.394	20	30		CCEDRM
Cc1ccc(S(=O)(=O)N(C)CC#N)cc1C(=O)[O-]	ZINC001184682935	844277781	/nfs/dbraw/zinc/27/77/81/844277781.db2.gz	MYTSTMHRAOGHKW-UHFFFAOYSA-N	-1	0	268.294	0.837	20	30		CCEDRM
CSc1ncc([O-])c(C(=O)Nc2[nH]cnc2C#N)n1	ZINC001185161590	844351718	/nfs/dbraw/zinc/35/17/18/844351718.db2.gz	RIWQOJAUHRJQLH-UHFFFAOYSA-N	-1	0	276.281	0.751	20	30		CCEDRM
COC(=O)c1c[nH]c(C(=O)OC)c1NC(=O)CCS	ZINC001143979579	839910348	/nfs/dbraw/zinc/91/03/48/839910348.db2.gz	BYLPRSKJDZMYRK-UHFFFAOYSA-N	-1	0	286.309	0.846	20	30		CCEDRM
Cc1n[nH]cc1S(=O)(=O)N1CCC(C#CC(=O)[O-])CC1	ZINC000844818550	839980629	/nfs/dbraw/zinc/98/06/29/839980629.db2.gz	SSYACSZJOXILSK-UHFFFAOYSA-N	-1	0	297.336	0.207	20	30		CCEDRM
C=CCCOCCNC(=O)NC[C@H](CC)C(=O)[O-]	ZINC000231837821	840133744	/nfs/dbraw/zinc/13/37/44/840133744.db2.gz	YHFJHDAKKTYSPN-JTQLQIEISA-N	-1	0	258.318	0.989	20	30		CCEDRM
Cc1ncc(CO)c(C(=O)N=C(N)c2nccs2)c1[O-]	ZINC001147844755	840698892	/nfs/dbraw/zinc/69/88/92/840698892.db2.gz	YDKMUNKJSNAKRL-UHFFFAOYSA-N	-1	0	292.320	0.590	20	30		CCEDRM
N#CC1(NC(=O)c2cc(S(=O)(=O)[O-])ccc2O)CCC1	ZINC001148914681	840901924	/nfs/dbraw/zinc/90/19/24/840901924.db2.gz	BEMRKPJWECVYKV-UHFFFAOYSA-N	-1	0	296.304	0.815	20	30		CCEDRM
C[C@@H](Oc1ccccc1C#N)C(=O)N(C)CC(=O)[O-]	ZINC000036974981	841359726	/nfs/dbraw/zinc/35/97/26/841359726.db2.gz	SSDUSSLOVXRKTO-SECBINFHSA-N	-1	0	262.265	0.869	20	30		CCEDRM
COc1nc(C)nc([N-]c2nccnc2CN)c1C#N	ZINC001171440796	841616734	/nfs/dbraw/zinc/61/67/34/841616734.db2.gz	IGQXXZZDZHDHEC-UHFFFAOYSA-N	-1	0	271.284	0.658	20	30		CCEDRM
C[C@H](Cc1ccc(C#N)cc1)NCS(=O)(=O)[O-]	ZINC001172302142	841916051	/nfs/dbraw/zinc/91/60/51/841916051.db2.gz	FAYFLUMIKHBPSI-SECBINFHSA-N	-1	0	254.311	0.924	20	30		CCEDRM
COc1cccc(NC(=O)Cc2nnn[n-]2)c1C#N	ZINC001176844387	842419364	/nfs/dbraw/zinc/41/93/64/842419364.db2.gz	AONHMKPBEBELJK-UHFFFAOYSA-N	-1	0	258.241	0.261	20	30		CCEDRM
C=CCSCC(=O)N[C@@H](CCC(=O)[O-])C(=O)OC	ZINC001180560829	843209216	/nfs/dbraw/zinc/20/92/16/843209216.db2.gz	GYRNADBSPFJULR-QMMMGPOBSA-N	-1	0	275.326	0.428	20	30		CCEDRM
N#Cc1ccccc1C1(C(=O)NCc2n[nH]c(=O)[n-]2)CC1	ZINC001183292738	844000851	/nfs/dbraw/zinc/00/08/51/844000851.db2.gz	FHYTVOPYZJSWLW-UHFFFAOYSA-N	-1	0	283.291	0.730	20	30		CCEDRM
Cc1nc(C#N)cnc1[N-]S(=O)(=O)C1CCC1	ZINC001188105160	844823582	/nfs/dbraw/zinc/82/35/82/844823582.db2.gz	PBVRYLOZFPJMRR-UHFFFAOYSA-N	-1	0	252.299	0.951	20	30		CCEDRM
C#Cc1ccccc1NS(=O)(=O)CCC(=O)OC	ZINC001188388544	844877043	/nfs/dbraw/zinc/87/70/43/844877043.db2.gz	JUQRSKAFVQDFNR-UHFFFAOYSA-N	-1	0	267.306	0.973	20	30		CCEDRM
COC(=O)CCS(=O)(=O)[N-]C1=C(C#N)C(=O)CS1	ZINC001188355313	844881790	/nfs/dbraw/zinc/88/17/90/844881790.db2.gz	KNRVEDNRPQIUMX-UHFFFAOYSA-N	-1	0	290.322	0.630	20	30		CCEDRM
COC(=O)CCS(=O)(=O)[N-]c1ccc(C#N)s1	ZINC001188355410	844882479	/nfs/dbraw/zinc/88/24/79/844882479.db2.gz	NTYQZTHZJIJKML-UHFFFAOYSA-N	-1	0	274.323	0.925	20	30		CCEDRM
COc1ncnc([N-]S(=O)(=O)c2ccoc2)c1C#N	ZINC001188579800	844924802	/nfs/dbraw/zinc/92/48/02/844924802.db2.gz	LPHGVJFPSSEESZ-UHFFFAOYSA-N	-1	0	280.265	0.751	20	30		CCEDRM
N=C(c1ccccc1N)N(O)C(=O)c1cccnn1	ZINC001188678446	844945825	/nfs/dbraw/zinc/94/58/25/844945825.db2.gz	SYIFVBNJYVLDMU-UHFFFAOYSA-N	-1	0	257.253	0.916	20	30		CCEDRM
CC(C)(CO)NS(=O)(=O)c1cc(C#N)ccc1F	ZINC001190608268	845443617	/nfs/dbraw/zinc/44/36/17/845443617.db2.gz	NKDFZUVFMSEBAV-UHFFFAOYSA-N	-1	0	272.301	0.747	20	30		CCEDRM
C=CCC1(S(=O)(=O)[N-]c2nonc2OC)CC1	ZINC001190773140	845494727	/nfs/dbraw/zinc/49/47/27/845494727.db2.gz	VDWFQSSSOMVSNE-UHFFFAOYSA-N	-1	0	259.287	0.929	20	30		CCEDRM
C=CCC1(S(=O)(=O)[N-]c2nccn3cnnc23)CC1	ZINC001190773084	845494877	/nfs/dbraw/zinc/49/48/77/845494877.db2.gz	RBCPRRVBACYRCJ-UHFFFAOYSA-N	-1	0	279.325	0.975	20	30		CCEDRM
C=C[C@@H](CO)NC(=O)c1cc(C(=O)OC)ccc1[O-]	ZINC001192395191	845844545	/nfs/dbraw/zinc/84/45/45/845844545.db2.gz	FAMCBSAYAKZJSN-VIFPVBQESA-N	-1	0	265.265	0.456	20	30		CCEDRM
N#Cc1c(N)nn(C(=O)c2c(F)ccc(F)c2[O-])c1N	ZINC001192695331	845895196	/nfs/dbraw/zinc/89/51/96/845895196.db2.gz	YPGYEFNPLVQZJZ-UHFFFAOYSA-N	-1	0	279.206	0.591	20	30		CCEDRM
CCOC(=O)[C@@H](C#N)NC(=O)c1ccc([O-])c(F)c1F	ZINC001192841798	845920561	/nfs/dbraw/zinc/92/05/61/845920561.db2.gz	BSBXISCDXOQXNI-SSDOTTSWSA-N	-1	0	284.218	0.855	20	30		CCEDRM
COC(=O)c1ccc(OC)c([N-]S(=O)(=O)CC#N)n1	ZINC001192942753	845930374	/nfs/dbraw/zinc/93/03/74/845930374.db2.gz	ADKDMUCMFFNMLP-UHFFFAOYSA-N	-1	0	285.281	0.142	20	30		CCEDRM
N#CCS(=O)(=O)[N-]c1cnc(-n2nccn2)c(Cl)c1	ZINC001192951866	845933919	/nfs/dbraw/zinc/93/39/19/845933919.db2.gz	SIQZXSBXXKXVKI-UHFFFAOYSA-N	-1	0	298.715	0.581	20	30		CCEDRM
N#CCS(=O)(=O)[N-]c1cncnc1C(F)(F)F	ZINC001192952126	845934482	/nfs/dbraw/zinc/93/44/82/845934482.db2.gz	XRIQRDAGAXFTSN-UHFFFAOYSA-N	-1	0	266.204	0.761	20	30		CCEDRM
COC(=O)c1cncc([N-]S(=O)(=O)CC#N)c1	ZINC001192938428	845941958	/nfs/dbraw/zinc/94/19/58/845941958.db2.gz	COPFQQWGFYJATI-UHFFFAOYSA-N	-1	0	255.255	0.133	20	30		CCEDRM
COc1nc(Cl)ncc1[N-]S(=O)(=O)CC#N	ZINC001192939473	845943322	/nfs/dbraw/zinc/94/33/22/845943322.db2.gz	QJPHSETYNJAZLU-UHFFFAOYSA-N	-1	0	262.678	0.404	20	30		CCEDRM
N#CCS(=O)(=O)[N-]c1cccc2c1C(=O)OC2	ZINC001192985653	845944750	/nfs/dbraw/zinc/94/47/50/845944750.db2.gz	KMJQRMHVTXKUIW-UHFFFAOYSA-N	-1	0	252.251	0.622	20	30		CCEDRM
COC(=O)c1cccc([N-]S(=O)(=O)CC#N)c1O	ZINC001192979097	845961680	/nfs/dbraw/zinc/96/16/80/845961680.db2.gz	XYTMQAXDUNDTES-UHFFFAOYSA-N	-1	0	270.266	0.444	20	30		CCEDRM
COc1cc([N-]S(=O)(=O)[C@H](C)C#N)nc(OC)n1	ZINC001193105705	845978263	/nfs/dbraw/zinc/97/82/63/845978263.db2.gz	ZYVPJLXJQKZELN-ZCFIWIBFSA-N	-1	0	272.286	0.148	20	30		CCEDRM
CC(=O)c1ccncc1[N-]S(=O)(=O)[C@@H](C)C#N	ZINC001193104968	845978387	/nfs/dbraw/zinc/97/83/87/845978387.db2.gz	PETXGEDZQMLCRR-ZETCQYMHSA-N	-1	0	253.283	0.938	20	30		CCEDRM
COC(=O)c1cncc([N-]S(=O)(=O)[C@H](C)C#N)c1	ZINC001193104075	845978504	/nfs/dbraw/zinc/97/85/04/845978504.db2.gz	FMFNMIJGKCVAGC-SSDOTTSWSA-N	-1	0	269.282	0.522	20	30		CCEDRM
Cc1nc([N-]S(=O)(=O)[C@@H](C)C#N)c(C#N)cc1C#N	ZINC001193105640	845978543	/nfs/dbraw/zinc/97/85/43/845978543.db2.gz	YXUGGKZXNASYRI-ZETCQYMHSA-N	-1	0	275.293	0.787	20	30		CCEDRM
CCOC(=O)c1cncc([N-]S(=O)(=O)[C@H](C)C#N)c1	ZINC001193105335	845979280	/nfs/dbraw/zinc/97/92/80/845979280.db2.gz	UWPVOXNWKICGAG-MRVPVSSYSA-N	-1	0	283.309	0.912	20	30		CCEDRM
C[C@H](C#N)S(=O)(=O)[N-]c1cccc2c1CCNC2=O	ZINC001193160318	846009588	/nfs/dbraw/zinc/00/95/88/846009588.db2.gz	BYVWXGCJYIDZDU-MRVPVSSYSA-N	-1	0	279.321	0.626	20	30		CCEDRM
CCOC(=O)C1=C([N-]S(=O)(=O)[C@H](C)C#N)[C@@H](C)OC1	ZINC001193168997	846010987	/nfs/dbraw/zinc/01/09/87/846010987.db2.gz	PSPNNRYIIFPWHH-HTQZYQBOSA-N	-1	0	288.325	0.054	20	30		CCEDRM
CCOC(=O)[C@H]([N-]S(=O)(=O)[C@@H](C)C#N)C(F)(F)F	ZINC001193168458	846011791	/nfs/dbraw/zinc/01/17/91/846011791.db2.gz	CGOKUBPGBDDLEE-WDSKDSINSA-N	-1	0	288.247	0.312	20	30		CCEDRM
COC(=O)[C@@H]([N-]S(=O)(=O)[C@@H](C)C#N)c1ccncc1	ZINC001193182599	846027299	/nfs/dbraw/zinc/02/72/99/846027299.db2.gz	OYTRXRVHILVMTQ-WPRPVWTQSA-N	-1	0	283.309	0.127	20	30		CCEDRM
N#Cc1cc(C(=O)Nc2ncnn3cccc23)ccc1[O-]	ZINC001193499983	846083574	/nfs/dbraw/zinc/08/35/74/846083574.db2.gz	YFWKHGDGQIRNAD-UHFFFAOYSA-N	-1	0	279.259	0.981	20	30		CCEDRM
N#Cc1cc(C(=O)N2CCn3nncc3C2)ccc1[O-]	ZINC001193503745	846099408	/nfs/dbraw/zinc/09/94/08/846099408.db2.gz	GCWSJYHIJWLQAR-UHFFFAOYSA-N	-1	0	269.264	0.511	20	30		CCEDRM
N#CCCN1CCN(C(=O)c2ccc([O-])c(C#N)c2)CC1	ZINC001193504281	846101865	/nfs/dbraw/zinc/10/18/65/846101865.db2.gz	POVHOFWAQFMCPY-UHFFFAOYSA-N	-1	0	284.319	0.935	20	30		CCEDRM
Cn1ccnc1CCNC(=O)c1ccc([O-])c(C#N)c1	ZINC001193519361	846103232	/nfs/dbraw/zinc/10/32/32/846103232.db2.gz	WIWOOJYVXMUYIJ-UHFFFAOYSA-N	-1	0	270.292	0.970	20	30		CCEDRM
N#Cc1cc(C(=O)N[C@@H]2CCCNC(=O)C2)ccc1[O-]	ZINC001193519429	846103379	/nfs/dbraw/zinc/10/33/79/846103379.db2.gz	ZHRAVROXAOPQON-LLVKDONJSA-N	-1	0	273.292	0.662	20	30		CCEDRM
COc1ccnc(C(=O)Nc2cnc(C#N)cn2)c1[O-]	ZINC001193521497	846104592	/nfs/dbraw/zinc/10/45/92/846104592.db2.gz	YNDAYZWFQSIDIH-UHFFFAOYSA-N	-1	0	271.236	0.710	20	30		CCEDRM
Cc1coc([N-]S(=O)(=O)c2nccn2C)c1C#N	ZINC001193566591	846108056	/nfs/dbraw/zinc/10/80/56/846108056.db2.gz	WHLRORLGTWHINA-UHFFFAOYSA-N	-1	0	266.282	0.994	20	30		CCEDRM
N#Cc1cccc(C(=O)N2CC[C@H](O)[C@H](CO)C2)c1[O-]	ZINC001193642769	846134970	/nfs/dbraw/zinc/13/49/70/846134970.db2.gz	PFZGJKQREGAUED-JQWIXIFHSA-N	-1	0	276.292	0.079	20	30		CCEDRM
COC(=O)c1cc(C(=O)Nc2nnccc2C#N)n[n-]1	ZINC001194282287	846264330	/nfs/dbraw/zinc/26/43/30/846264330.db2.gz	GPCQKVAEFVWPKL-UHFFFAOYSA-N	-1	0	272.224	0.110	20	30		CCEDRM
C[C@@H]1C(=O)NCCN1C(=O)c1ccc(C#N)cc1[O-]	ZINC001195740663	846619154	/nfs/dbraw/zinc/61/91/54/846619154.db2.gz	BTTQIZWVHZAGMM-MRVPVSSYSA-N	-1	0	259.265	0.224	20	30		CCEDRM
CCOC(=O)CS(=O)(=O)[N-]c1cccc(OC)c1C#N	ZINC001195974516	846656696	/nfs/dbraw/zinc/65/66/96/846656696.db2.gz	CMAXZJSGMJBWRY-UHFFFAOYSA-N	-1	0	298.320	0.872	20	30		CCEDRM
N#C[C@@H]1COCCN1C(=O)c1cc(Cl)ncc1[O-]	ZINC001196395575	846742138	/nfs/dbraw/zinc/74/21/38/846742138.db2.gz	HHXOUCKCQRZZSP-SSDOTTSWSA-N	-1	0	267.672	0.805	20	30		CCEDRM
CCc1cc(C(=O)NCc2n[nH]c(=O)[n-]2)ccc1C#N	ZINC001197292141	846893466	/nfs/dbraw/zinc/89/34/66/846893466.db2.gz	MGXXKKOJBOOJTE-UHFFFAOYSA-N	-1	0	271.280	0.874	20	30		CCEDRM
N#Cc1cnoc1[N-]S(=O)(=O)Cc1ccccn1	ZINC001197781892	846962181	/nfs/dbraw/zinc/96/21/81/846962181.db2.gz	DDFPBIGAGVVBSU-UHFFFAOYSA-N	-1	0	264.266	0.883	20	30		CCEDRM
Cc1ncc(S(=O)(=O)[N-]c2ncccc2C#N)n1C	ZINC001198354066	847102160	/nfs/dbraw/zinc/10/21/60/847102160.db2.gz	KTNWSXCHGFDLQP-UHFFFAOYSA-N	-1	0	277.309	0.796	20	30		CCEDRM
Cc1ncc(S(=O)(=O)[N-]c2cnccc2C#N)n1C	ZINC001198355658	847102323	/nfs/dbraw/zinc/10/23/23/847102323.db2.gz	FKZJEUSGQBFYNV-UHFFFAOYSA-N	-1	0	277.309	0.796	20	30		CCEDRM
C=CCNC(=S)Nc1ccc2c(c1)S(=O)(=O)[N-]C2=O	ZINC001200295688	847598981	/nfs/dbraw/zinc/59/89/81/847598981.db2.gz	VZLISNHJENVHHB-UHFFFAOYSA-N	-1	0	297.361	0.591	20	30		CCEDRM
COC(=O)CCCS(=O)(=O)[N-]c1ncc(C)cc1C#N	ZINC001201904483	847831126	/nfs/dbraw/zinc/83/11/26/847831126.db2.gz	FPZCHDVTOYLSOX-UHFFFAOYSA-N	-1	0	297.336	0.957	20	30		CCEDRM
COC(=O)CCCS(=O)(=O)[N-]c1ncccc1C#N	ZINC001201904081	847831506	/nfs/dbraw/zinc/83/15/06/847831506.db2.gz	RSNWZYJOEWKORH-UHFFFAOYSA-N	-1	0	283.309	0.648	20	30		CCEDRM
C=CCNC(=O)Nc1ccc2c(c1)S(=O)(=O)[N-]C2=O	ZINC001202571458	848180376	/nfs/dbraw/zinc/18/03/76/848180376.db2.gz	LTXGQSHJNGJFQB-UHFFFAOYSA-N	-1	0	281.293	0.426	20	30		CCEDRM
C#CC[C@H](CO)[N-]S(=O)(=O)c1c(F)cc(F)cc1F	ZINC000717800404	848394954	/nfs/dbraw/zinc/39/49/54/848394954.db2.gz	GCWIJGAQWQQUQH-MRVPVSSYSA-N	-1	0	293.266	0.766	20	30		CCEDRM
NC(=O)[C@@]12C[C@@H]1CN(C(=O)CCC(=O)C1=CC=C[CH]1)C2	ZINC001274661339	848535088	/nfs/dbraw/zinc/53/50/88/848535088.db2.gz	KFRDLGKKWYXKIQ-IAQYHMDHSA-N	-1	0	273.312	0.370	20	30		CCEDRM
CN1C[C@@H]2COC[C@H](C1)N2C(=O)c1cccc(C#N)c1[O-]	ZINC001275734426	848803957	/nfs/dbraw/zinc/80/39/57/848803957.db2.gz	FYEJTDATXZKIKY-TXEJJXNPSA-N	-1	0	287.319	0.419	20	30		CCEDRM
C=CCN(CC(F)(F)F)C(=O)COCC(=O)[O-]	ZINC000688846142	849197567	/nfs/dbraw/zinc/19/75/67/849197567.db2.gz	ITIAGQNOECLTHQ-UHFFFAOYSA-N	-1	0	255.192	0.665	20	30		CCEDRM
C#CCN(C(C)C)S(=O)(=O)c1cc(C(=O)[O-])n(C)c1	ZINC000688860197	849198143	/nfs/dbraw/zinc/19/81/43/849198143.db2.gz	NOPZLLAEAJQFID-UHFFFAOYSA-N	-1	0	284.337	0.756	20	30		CCEDRM
C=CCN=c1[n-]nc(SCC(=O)C(C)=O)s1	ZINC000381031593	849700460	/nfs/dbraw/zinc/70/04/60/849700460.db2.gz	ALMMJHCPUBTCQY-UHFFFAOYSA-N	-1	0	257.340	0.808	20	30		CCEDRM
Cc1[nH]nc(C(=O)N2C[C@H]3CCC[C@@H](C2)N3CC#N)c1[O-]	ZINC001039547204	850213452	/nfs/dbraw/zinc/21/34/52/850213452.db2.gz	SWMNJPFVQARBDX-PHIMTYICSA-N	-1	0	289.339	0.626	20	30		CCEDRM
Cc1[nH]nc(C(=O)N2CC[C@H]3CCN(CC#N)[C@H]3C2)c1[O-]	ZINC001042016465	850558257	/nfs/dbraw/zinc/55/82/57/850558257.db2.gz	PTQKJDYKTQOFDB-MNOVXSKESA-N	-1	0	289.339	0.484	20	30		CCEDRM
Cc1[nH]nc(C(=O)N2CC[C@@H](NCC#N)C[C@@H]2C)c1[O-]	ZINC001044555569	851122850	/nfs/dbraw/zinc/12/28/50/851122850.db2.gz	UAMFDTLTUYEPBF-WCBMZHEXSA-N	-1	0	277.328	0.530	20	30		CCEDRM
N#Cc1cncc(NCC2CC(NC(=O)c3cn[nH]n3)C2)n1	ZINC001067900973	853864953	/nfs/dbraw/zinc/86/49/53/853864953.db2.gz	MOOHLXKBDXREMS-UHFFFAOYSA-N	-1	0	298.310	0.087	20	30		CCEDRM
C#CC[C@@H](NC(=O)c1cc(C(C)=O)cn1C)C(=O)[O-]	ZINC000149572701	853986765	/nfs/dbraw/zinc/98/67/65/853986765.db2.gz	NIVUUIXYJAQRKZ-SNVBAGLBSA-N	-1	0	262.265	0.434	20	30		CCEDRM
C#CC[C@H](NC(=O)c1cc(Cl)cn1C)C(=O)[O-]	ZINC000149727972	853996969	/nfs/dbraw/zinc/99/69/69/853996969.db2.gz	XKHIHMKAMLZIQR-QMMMGPOBSA-N	-1	0	254.673	0.885	20	30		CCEDRM
C#CC[C@H](NC(=O)Cc1c(C)nn(C)c1C)C(=O)[O-]	ZINC000149973336	854010937	/nfs/dbraw/zinc/01/09/37/854010937.db2.gz	WGSIZLJHNCDOOF-NSHDSACASA-N	-1	0	263.297	0.172	20	30		CCEDRM
C#CC[C@@H](NC(=O)c1cccc2c1OCCO2)C(=O)[O-]	ZINC000149977652	854011665	/nfs/dbraw/zinc/01/16/65/854011665.db2.gz	VOYRTDQKSOYUFG-SNVBAGLBSA-N	-1	0	275.260	0.664	20	30		CCEDRM
Cc1n[nH]c(C(=O)N[C@@H]2CC[C@@H](C)N(CC#N)C2)c1[O-]	ZINC001071441011	854197705	/nfs/dbraw/zinc/19/77/05/854197705.db2.gz	VJVIDMDVXXTGPL-PSASIEDQSA-N	-1	0	277.328	0.530	20	30		CCEDRM
C=CC[C@H](NC(=O)CCc1cn(C)nc1C)C(=O)[O-]	ZINC001116906505	855862073	/nfs/dbraw/zinc/86/20/73/855862073.db2.gz	LIJNUZRQWHTJSK-NSHDSACASA-N	-1	0	265.313	0.807	20	30		CCEDRM
N#CCCCS(=O)(=O)[N-]C(=O)CCc1cncnc1	ZINC001117721321	856059437	/nfs/dbraw/zinc/05/94/37/856059437.db2.gz	LJYIYKAUIOJCAK-UHFFFAOYSA-N	-1	0	282.325	0.159	20	30		CCEDRM
Cc1nnc(N=NC2CCC[S@@](=O)CC2)[n-]c1=O	ZINC001118524439	856328741	/nfs/dbraw/zinc/32/87/41/856328741.db2.gz	MSOZDLKRGLUZNU-GOSISDBHSA-N	-1	0	269.330	0.586	20	30		CCEDRM
C=CCOCCNC(=O)C(=O)[N-]OCCC(F)(F)F	ZINC001118560180	856343488	/nfs/dbraw/zinc/34/34/88/856343488.db2.gz	DEXMQQNZBQHAIF-UHFFFAOYSA-N	-1	0	284.234	0.305	20	30		CCEDRM
CSc1nc(CNC(=O)[C@@H](C)C#N)cc(=O)[nH]1	ZINC001119272663	856606983	/nfs/dbraw/zinc/60/69/83/856606983.db2.gz	XUGPERMFVVXNJK-LURJTMIESA-N	-1	0	252.299	0.680	20	30		CCEDRM
C=CC[C@H](NC(=O)c1cnc(N(C)C)cn1)C(=O)[O-]	ZINC001119581214	856754508	/nfs/dbraw/zinc/75/45/08/856754508.db2.gz	ZDXMTJOWISNCPV-QMMMGPOBSA-N	-1	0	264.285	0.302	20	30		CCEDRM
C#CCN(CC1CC1)C(=O)c1ccnc2c(C(=O)[O-])cnn21	ZINC001119590955	856761321	/nfs/dbraw/zinc/76/13/21/856761321.db2.gz	ZEGUONKIIAXFDP-UHFFFAOYSA-N	-1	0	298.302	0.913	20	30		CCEDRM
C=CC[C@H](NC(=O)N[C@@H]1CCO[C@]2(CCOC2)C1)C(=O)[O-]	ZINC001119635752	856796660	/nfs/dbraw/zinc/79/66/60/856796660.db2.gz	RUNOLHRVOVJEJT-UHIISALHSA-N	-1	0	298.339	0.653	20	30		CCEDRM
COC(=O)c1ccc(C=Nn2c(=O)c(C)n[n-]c2=S)[nH]1	ZINC001323497511	912374127	/nfs/dbraw/zinc/37/41/27/912374127.db2.gz	WUIWHYPKWKJDGK-UHFFFAOYSA-N	-1	0	293.308	0.232	20	30		CCEDRM
C=CCCOCCNC(=O)C(=O)[N-]OCC(C)C	ZINC001325299576	913298507	/nfs/dbraw/zinc/29/85/07/913298507.db2.gz	BJEBBRZQLKHPOC-UHFFFAOYSA-N	-1	0	258.318	0.399	20	30		CCEDRM
C#CCCS(=O)(=O)NC1(C(=O)OCC)CCCC1	ZINC001325278838	913317210	/nfs/dbraw/zinc/31/72/10/913317210.db2.gz	MAGJYEZSSNSDQI-UHFFFAOYSA-N	-1	0	273.354	0.805	20	30		CCEDRM
CC(C)NC(=O)C(C#N)=C([O-])c1noc2c1COCC2	ZINC001343411807	892901388	/nfs/dbraw/zinc/90/13/88/892901388.db2.gz	SZNGFYSNRWYWPC-QMMMGPOBSA-N	-1	0	277.280	0.594	20	30		CCEDRM
N#Cc1ccc(NC(=O)C(=O)[N-]OCc2cccnc2)nc1	ZINC001326273545	913861232	/nfs/dbraw/zinc/86/12/32/913861232.db2.gz	CPGPQGKDHKANLE-UHFFFAOYSA-N	-1	0	297.274	0.535	20	30		CCEDRM
COC1(C=Nn2c(=O)c(C)n[n-]c2=S)CCOCC1	ZINC001326365084	913915746	/nfs/dbraw/zinc/91/57/46/913915746.db2.gz	VCFRTCJDJXRIDC-UHFFFAOYSA-N	-1	0	284.341	0.265	20	30		CCEDRM
C=CC[C@@H](NC(=O)c1cc(C(C)=O)c[nH]1)C(=O)[O-]	ZINC000150068757	894973246	/nfs/dbraw/zinc/97/32/46/894973246.db2.gz	SXERKPICZTZRIY-SECBINFHSA-N	-1	0	250.254	0.976	20	30		CCEDRM
C=CC[C@@H](NC(=O)c1ccc2nnc(C)n2c1)C(=O)[O-]	ZINC001327013182	914313052	/nfs/dbraw/zinc/31/30/52/914313052.db2.gz	IHCYDJQFVQSHPU-SNVBAGLBSA-N	-1	0	274.280	0.797	20	30		CCEDRM
CSc1cc([N-]S(=O)(=O)[C@@H](C)C#N)nn1C	ZINC001193106946	900031880	/nfs/dbraw/zinc/03/18/80/900031880.db2.gz	MCNHLIKVRVFNOK-LURJTMIESA-N	-1	0	260.344	0.796	20	30		CCEDRM
COc1ncnc([N-]S(=O)(=O)[C@@H](C)C#N)c1C#N	ZINC001193110752	900034133	/nfs/dbraw/zinc/03/41/33/900034133.db2.gz	BTDBFIJUYKGWJM-LURJTMIESA-N	-1	0	267.270	0.011	20	30		CCEDRM
N#Cc1cc(C(=O)N2CCOC[C@@H]2c2nnn[n-]2)cs1	ZINC001412429227	901713861	/nfs/dbraw/zinc/71/38/61/901713861.db2.gz	CUZWLFQPGBMOBW-SECBINFHSA-N	-1	0	290.308	0.347	20	30		CCEDRM
COC[C@@H](NC(=O)c1ccc(CC#N)cc1)c1nnn[n-]1	ZINC001412610003	901869256	/nfs/dbraw/zinc/86/92/56/901869256.db2.gz	PTPRNGWGBYZCRS-LLVKDONJSA-N	-1	0	286.295	0.383	20	30		CCEDRM
Cc1cc(C#N)c(=O)[n-]c1C(=O)N1CC[C@H](C)[C@H]1CO	ZINC001412841787	902291312	/nfs/dbraw/zinc/29/13/12/902291312.db2.gz	SRNYILGILYKZCT-GZMMTYOYSA-N	-1	0	275.308	0.810	20	30		CCEDRM
CCn1ncn([N-]C(=O)N[C@@H](CC#N)C(F)(F)F)c1=O	ZINC001413646501	903141896	/nfs/dbraw/zinc/14/18/96/903141896.db2.gz	MMGZDYSUMLGLGK-LURJTMIESA-N	-1	0	292.221	0.162	20	30		CCEDRM
C=C(C)C[C@@H](C)C(=O)NCCNC(=O)c1[nH]nc(C)c1[O-]	ZINC001292642700	906312643	/nfs/dbraw/zinc/31/26/43/906312643.db2.gz	ADNQXIJGAWFZQV-SECBINFHSA-N	-1	0	294.355	0.872	20	30		CCEDRM
C=C(C)CO[N-]C(=O)C(=O)Nc1ccnn1[C@@H]1CCOC1	ZINC001337374175	921242978	/nfs/dbraw/zinc/24/29/78/921242978.db2.gz	CUNBXFBKRJIHCZ-SNVBAGLBSA-N	-1	0	294.311	0.407	20	30		CCEDRM
C=CCSCCNc1[n-]c(=O)n(C)c(=O)c1C#N	ZINC001337848131	921298666	/nfs/dbraw/zinc/29/86/66/921298666.db2.gz	VAHDAHZZDQSFAS-UHFFFAOYSA-N	-1	0	266.326	0.276	20	30		CCEDRM
C=C[C@H](CC)CC(=O)NCCN(C)Cc1n[nH]c(=O)[n-]1	ZINC001492381550	907889221	/nfs/dbraw/zinc/88/92/21/907889221.db2.gz	NAICESRBVKIJLZ-SNVBAGLBSA-N	-1	0	281.360	0.661	20	30		CCEDRM
CSCC[C@H](NC(=O)[C@H](C)CC#N)c1nnn[n-]1	ZINC001301162436	907959857	/nfs/dbraw/zinc/95/98/57/907959857.db2.gz	XSLQWDOAFFLAJM-SFYZADRCSA-N	-1	0	268.346	0.660	20	30		CCEDRM
CCOCCOCCNC(=O)c1[n-]c(=O)c(C#N)cc1C	ZINC001303991916	908132598	/nfs/dbraw/zinc/13/25/98/908132598.db2.gz	UQESHAVICAUYPV-UHFFFAOYSA-N	-1	0	293.323	0.750	20	30		CCEDRM
Cc1cc(C#N)c(=O)[n-]c1C(=O)N[C@H](C)Cn1ccnc1	ZINC001417611227	921453200	/nfs/dbraw/zinc/45/32/00/921453200.db2.gz	RPFHESGKSSYIAS-SNVBAGLBSA-N	-1	0	285.307	0.982	20	30		CCEDRM
Cc1nc(C=Nn2c(=O)c(C)n[n-]c2=S)cs1	ZINC001317804692	909506316	/nfs/dbraw/zinc/50/63/16/909506316.db2.gz	OCPYDOBKWSTTLN-UHFFFAOYSA-N	-1	0	267.339	0.883	20	30		CCEDRM
Cc1nnc(NN=C2c3ccc(O)cc3NC2=O)[n-]c1=O	ZINC001317850438	909524591	/nfs/dbraw/zinc/52/45/91/909524591.db2.gz	DQXBNDDEAJXXBI-UHFFFAOYSA-N	-1	0	286.251	0.360	20	30		CCEDRM
Cc1csc(C=Nn2c(=O)c(C)n[n-]c2=S)n1	ZINC001319588490	910216649	/nfs/dbraw/zinc/21/66/49/910216649.db2.gz	PTGSSBGQOHSWOX-UHFFFAOYSA-N	-1	0	267.339	0.883	20	30		CCEDRM
Cc1nnc([S-])n(N=CC[C@H]2CCOC2)c1=O	ZINC001319730624	910274624	/nfs/dbraw/zinc/27/46/24/910274624.db2.gz	UXXLNRWRDVVOQG-QMMMGPOBSA-N	-1	0	254.315	0.496	20	30		CCEDRM
C=CCCC(=O)[N-]S(=O)(=O)c1cnc2c(cnn2C)c1	ZINC001320443399	910676662	/nfs/dbraw/zinc/67/66/62/910676662.db2.gz	DOAVQUGFCUOOSK-UHFFFAOYSA-N	-1	0	294.336	0.739	20	30		CCEDRM
C=CC[C@@H](NC(=O)NCCCO[C@@H]1CCOC1)C(=O)[O-]	ZINC001321109989	911093873	/nfs/dbraw/zinc/09/38/73/911093873.db2.gz	JQUITLBXGJCXAW-GHMZBOCLSA-N	-1	0	286.328	0.511	20	30		CCEDRM
C=CC[C@@H](NC(=O)CCCC(=O)N(C)C)C(=O)[O-]	ZINC001321340238	911245906	/nfs/dbraw/zinc/24/59/06/911245906.db2.gz	MZWZJJHBDHNTOR-SECBINFHSA-N	-1	0	256.302	0.390	20	30		CCEDRM
C#CC[C@@H](NC(=O)[C@@H](C)N1CCSCC1)C(=O)[O-]	ZINC001339539453	921757170	/nfs/dbraw/zinc/75/71/70/921757170.db2.gz	MJWJYNPMZKCCKM-NXEZZACHSA-N	-1	0	270.354	0.016	20	30		CCEDRM
Cc1[nH]nc(C(=O)N(C)CCN(C)C(=O)[C@H](C)C#N)c1[O-]	ZINC001399679869	915311575	/nfs/dbraw/zinc/31/15/75/915311575.db2.gz	KUEYJWFQGDGCDS-MRVPVSSYSA-N	-1	0	293.327	0.114	20	30		CCEDRM
C[C@H](CN(C)C(=O)CCCCC#N)c1nnn[n-]1	ZINC001329053649	915626582	/nfs/dbraw/zinc/62/65/82/915626582.db2.gz	FLBLQUXWZBJQIP-SECBINFHSA-N	-1	0	250.306	0.846	20	30		CCEDRM
Cc1nnc([S-])n(N=C[C@@H]2CCCOCC2)c1=O	ZINC001329573532	916025337	/nfs/dbraw/zinc/02/53/37/916025337.db2.gz	VBFBWSJZISGMAC-SECBINFHSA-N	-1	0	268.342	0.886	20	30		CCEDRM
C#CC[C@H](CO)NC(=O)c1cc(C#N)c(SC)[n-]c1=O	ZINC001331189173	917167335	/nfs/dbraw/zinc/16/73/35/917167335.db2.gz	MQWRQHKRHHWYCZ-SECBINFHSA-N	-1	0	291.332	0.495	20	30		CCEDRM
C=CC[C@@H](NC(=O)Cc1cncc(O)c1)C(=O)[O-]	ZINC001332613885	918312336	/nfs/dbraw/zinc/31/23/36/918312336.db2.gz	PBRYNKYDPRSTED-SNVBAGLBSA-N	-1	0	250.254	0.475	20	30		CCEDRM
C#CCN1CCC[C@H]1C(=O)NCc1ccc(C(=O)[O-])nc1	ZINC001332645834	918347910	/nfs/dbraw/zinc/34/79/10/918347910.db2.gz	GVFGBTBSSZAFMB-ZDUSSCGKSA-N	-1	0	287.319	0.494	20	30		CCEDRM
C=CCCC[C@H](NC(=O)c1cnn(C)c1OC)C(=O)[O-]	ZINC001333358780	918833919	/nfs/dbraw/zinc/83/39/19/918833919.db2.gz	NUICWZWNSYEFAZ-JTQLQIEISA-N	-1	0	281.312	0.968	20	30		CCEDRM
C=CCOC[C@H](NCc1cncn1CC)C(=O)[O-]	ZINC001334025858	919326136	/nfs/dbraw/zinc/32/61/36/919326136.db2.gz	POYMDCNQCQYLSO-NSHDSACASA-N	-1	0	253.302	0.648	20	30		CCEDRM
CC#CCS(=O)(=O)[N-]C(=O)c1n[nH]c2c1C[C@H](C)CC2	ZINC001334260530	919464536	/nfs/dbraw/zinc/46/45/36/919464536.db2.gz	RDZNPXORSMPXNS-SECBINFHSA-N	-1	0	295.364	0.617	20	30		CCEDRM
C=CC[C@@H](NC(=O)c1ccc(CO)cc1OC)C(=O)[O-]	ZINC001334981058	919879638	/nfs/dbraw/zinc/87/96/38/919879638.db2.gz	OWNDPTZYJGSTGE-LLVKDONJSA-N	-1	0	279.292	0.947	20	30		CCEDRM
C=CC[C@H](NC(=O)CCc1ccc(=O)[nH]c1)C(=O)[O-]	ZINC001334980336	919880902	/nfs/dbraw/zinc/88/09/02/919880902.db2.gz	GFRKEOZXPVTGCZ-JTQLQIEISA-N	-1	0	264.281	0.865	20	30		CCEDRM
C=CC[C@H](NC(=O)c1cn(CCOC)nc1C)C(=O)[O-]	ZINC001334980757	919881631	/nfs/dbraw/zinc/88/16/31/919881631.db2.gz	JYTLZHXYOGLCOH-NSHDSACASA-N	-1	0	281.312	0.597	20	30		CCEDRM
C=CC[C@H](NC(=O)c1cnn(CCCOC)c1)C(=O)[O-]	ZINC001335429335	920189814	/nfs/dbraw/zinc/18/98/14/920189814.db2.gz	ASEXCDKDMSSGCU-NSHDSACASA-N	-1	0	281.312	0.679	20	30		CCEDRM
CC(C)[C@@H](C)N(C)c1[n-]c(=O)n(C)c(=O)c1C#N	ZINC001336471692	920791691	/nfs/dbraw/zinc/79/16/91/920791691.db2.gz	PAAZTFZNDRNZGL-MRVPVSSYSA-N	-1	0	250.302	0.426	20	30		CCEDRM
CC(=O)N[C@H](CC(C)C)C(=O)Nc1nc(C#N)c(C#N)[n-]1	ZINC001418239967	921953825	/nfs/dbraw/zinc/95/38/25/921953825.db2.gz	XEMMDBXUBKOCSX-SECBINFHSA-N	-1	0	288.311	0.642	20	30		CCEDRM
CSCC[C@H](NC(=O)c1c[nH]c(C#N)c1)c1nnn[n-]1	ZINC001418527602	922222727	/nfs/dbraw/zinc/22/27/27/922222727.db2.gz	NSMGUAKLRFRNEV-VIFPVBQESA-N	-1	0	291.340	0.624	20	30		CCEDRM
N#CCc1ccccc1C(=O)NCc1nc([O-])cc(=O)[nH]1	ZINC001418619581	922312126	/nfs/dbraw/zinc/31/21/26/922312126.db2.gz	HTFFCYWJAPQVJQ-UHFFFAOYSA-N	-1	0	284.275	0.884	20	30		CCEDRM
N#C[C@H]1CC[C@@H](NC(=O)N2CC[C@@H](C(=O)[O-])C2)C1	ZINC001341449281	922491580	/nfs/dbraw/zinc/49/15/80/922491580.db2.gz	GSYKZQJMEXNUQO-IVZWLZJFSA-N	-1	0	251.286	0.795	20	30		CCEDRM
CC(C)CN(Cc1nnn[n-]1)C(=O)C1(C#N)CCOCC1	ZINC001419138735	922658771	/nfs/dbraw/zinc/65/87/71/922658771.db2.gz	QXTYSARXDPGISL-UHFFFAOYSA-N	-1	0	292.343	0.505	20	30		CCEDRM
Cc1nnc2ccc(C([O-])=C(C#N)C(=O)NC3CC3)cn12	ZINC001341884939	922710081	/nfs/dbraw/zinc/71/00/81/922710081.db2.gz	GUMSVBFVNUMKHK-LLVKDONJSA-N	-1	0	283.291	0.639	20	30		CCEDRM
C=C(C)Cn1c(Cc2nn[nH]n2)nnc1N1CC=CCC1	ZINC001341922870	922722762	/nfs/dbraw/zinc/72/27/62/922722762.db2.gz	FXERGSVXNYSLKP-UHFFFAOYSA-N	-1	0	286.343	0.724	20	30		CCEDRM
CNC(=O)C(C#N)=C([O-])c1ccc([C@H]2CCC(=O)N2)cc1	ZINC001341953410	922735891	/nfs/dbraw/zinc/73/58/91/922735891.db2.gz	DQRCEBHTPNQROR-VXGBXAGGSA-N	-1	0	285.303	0.706	20	30		CCEDRM
COCCCn1cc(C([O-])=C(C#N)C(=O)NC2CC2)cn1	ZINC001342631849	923031763	/nfs/dbraw/zinc/03/17/63/923031763.db2.gz	BYDBTRSFVCBCMG-GFCCVEGCSA-N	-1	0	290.323	0.521	20	30		CCEDRM
C=CCNC(=O)C(C#N)=C([O-])c1cc(C(F)F)n(C)n1	ZINC001343590923	923383495	/nfs/dbraw/zinc/38/34/95/923383495.db2.gz	SLKOIQNCMMDIBK-ZETCQYMHSA-N	-1	0	282.250	0.982	20	30		CCEDRM
C=CCCC[C@H](NC(=O)CN1CCC(CO)CC1)C(=O)[O-]	ZINC001344539747	923632359	/nfs/dbraw/zinc/63/23/59/923632359.db2.gz	AKAUZUYICDUNTE-ZDUSSCGKSA-N	-1	0	298.383	0.616	20	30		CCEDRM
C=CCNC(=O)C(C#N)=C([O-])c1cc(C(=O)OC)no1	ZINC001346065623	924062774	/nfs/dbraw/zinc/06/27/74/924062774.db2.gz	UWUWWVSFDNQNGU-SSDOTTSWSA-N	-1	0	277.236	0.086	20	30		CCEDRM
Cn1c(=O)[n-]c(NC[C@H](O)c2ccccc2)c(C#N)c1=O	ZINC001421040730	924110015	/nfs/dbraw/zinc/11/00/15/924110015.db2.gz	RLZHXQJMFHKBJI-NSHDSACASA-N	-1	0	286.291	0.091	20	30		CCEDRM
CNC(=O)C(C#N)=C([O-])c1cnn2c1nc(C)cc2C	ZINC001347063041	924362714	/nfs/dbraw/zinc/36/27/14/924362714.db2.gz	GTRXYBSYACFSNI-SECBINFHSA-N	-1	0	271.280	0.415	20	30		CCEDRM
C#CC1CCN(C(=O)c2c[n-]n3c2nccc3=O)CC1	ZINC001349456365	924965193	/nfs/dbraw/zinc/96/51/93/924965193.db2.gz	RQAPUPQDAONPHP-UHFFFAOYSA-N	-1	0	270.292	0.508	20	30		CCEDRM
C=CC[C@@H](NC(=O)NCCOC[C@@H]1CCCO1)C(=O)[O-]	ZINC001350758531	925270986	/nfs/dbraw/zinc/27/09/86/925270986.db2.gz	HTZBKNYRGQQDPN-WDEREUQCSA-N	-1	0	286.328	0.511	20	30		CCEDRM
C=CC[C@@H](NC(=O)[C@H]1CCn2ccnc2C1)C(=O)[O-]	ZINC001354046437	925996557	/nfs/dbraw/zinc/99/65/57/925996557.db2.gz	BJTFMENLQFUQPX-VHSXEESVSA-N	-1	0	263.297	0.591	20	30		CCEDRM
C=CC[C@H](NC(=O)c1cnn(C)c1OC)C(=O)[O-]	ZINC001354047015	925997006	/nfs/dbraw/zinc/99/70/06/925997006.db2.gz	JOYLDOVFOSHFKE-QMMMGPOBSA-N	-1	0	253.258	0.188	20	30		CCEDRM
C=CCn1c(-c2cc(=O)[nH][n-]2)nnc1N1CCC[C@@H](C#N)C1	ZINC001356037727	926337528	/nfs/dbraw/zinc/33/75/28/926337528.db2.gz	CPTZPHMOQOAIFQ-JTQLQIEISA-N	-1	0	299.338	0.428	20	30		CCEDRM
Cn1ccnc1C(=O)C(C#N)=C([O-])c1cnc2n1CCC2	ZINC001357688819	926587502	/nfs/dbraw/zinc/58/75/02/926587502.db2.gz	IEZYXSLOKCRFOF-SECBINFHSA-N	-1	0	283.291	0.768	20	30		CCEDRM
N#Cc1c[n-]n2c1nc(CN1CC[C@H](O)[C@@H](F)C1)cc2=O	ZINC001414054131	926905131	/nfs/dbraw/zinc/90/51/31/926905131.db2.gz	QCSIDPMVHURUJF-QWRGUYRKSA-N	-1	0	291.286	0.211	20	30		CCEDRM
COC(=O)c1cc(Cn2c(=O)[n-]cc(C#N)c2=O)oc1C	ZINC001413928469	926925277	/nfs/dbraw/zinc/92/52/77/926925277.db2.gz	HUANMLNTDVYFCD-UHFFFAOYSA-N	-1	0	289.247	0.145	20	30		CCEDRM
N#Cc1c[n-]c(=O)n(Cc2ncccc2C(F)(F)F)c1=O	ZINC001413930149	926926532	/nfs/dbraw/zinc/92/65/32/926926532.db2.gz	NCBPKOPIEUDBBL-UHFFFAOYSA-N	-1	0	296.208	0.870	20	30		CCEDRM
C=CC[C@H](NC(=O)CCNC(=O)c1ccco1)C(=O)[O-]	ZINC000150190078	926946907	/nfs/dbraw/zinc/94/69/07/926946907.db2.gz	JAVYSAICKRVEIN-VIFPVBQESA-N	-1	0	280.280	0.545	20	30		CCEDRM
C=CC[C@H](NC(=O)c1ccc(-n2cncn2)nc1)C(=O)[O-]	ZINC000150338386	926948917	/nfs/dbraw/zinc/94/89/17/926948917.db2.gz	JSPZCFOITUATRG-JTQLQIEISA-N	-1	0	287.279	0.421	20	30		CCEDRM
CC[C@@H](C)C[C@@H](CO)Nc1[n-]c(=O)n(C)c(=O)c1C#N	ZINC001413893704	926949785	/nfs/dbraw/zinc/94/97/85/926949785.db2.gz	NPECIYUMXJKTGT-BDAKNGLRSA-N	-1	0	280.328	0.154	20	30		CCEDRM
C=CC[C@H](NC(=O)c1c(C)c(C)nn(C)c1=O)C(=O)[O-]	ZINC000150315457	926949892	/nfs/dbraw/zinc/94/98/92/926949892.db2.gz	BCJUSUILPRCDLX-VIFPVBQESA-N	-1	0	279.296	0.156	20	30		CCEDRM
N#Cc1sccc1C(=O)N1CCO[C@H](c2nnn[n-]2)C1	ZINC001361786384	927328922	/nfs/dbraw/zinc/32/89/22/927328922.db2.gz	XGMRVZOWTFTSJI-QMMMGPOBSA-N	-1	0	290.308	0.347	20	30		CCEDRM
Cc1cc(C#N)c(=O)[n-]c1C(=O)N(C)Cc1ncon1	ZINC001362271704	927806159	/nfs/dbraw/zinc/80/61/59/927806159.db2.gz	SSQBJXZLWJGCPY-UHFFFAOYSA-N	-1	0	273.252	0.623	20	30		CCEDRM
COC[C@@H](CNC(=O)c1[n-]c(=O)c(C#N)cc1C)OC	ZINC001362466466	928056027	/nfs/dbraw/zinc/05/60/27/928056027.db2.gz	IJHGFADSQZTHRB-SNVBAGLBSA-N	-1	0	279.296	0.359	20	30		CCEDRM
N#CC1(CNS(=O)(=O)c2ccccc2[O-])CCOCC1	ZINC001424872896	928327404	/nfs/dbraw/zinc/32/74/04/928327404.db2.gz	IMDBEPQFOKKLPA-UHFFFAOYSA-N	-1	0	296.348	0.991	20	30		CCEDRM
CCC(CC)C(=O)NCCn1cc(C#N)c(=O)[n-]c1=O	ZINC001362689146	928361870	/nfs/dbraw/zinc/36/18/70/928361870.db2.gz	NXPDSTZMPMWSRM-UHFFFAOYSA-N	-1	0	278.312	0.373	20	30		CCEDRM
N#Cc1nc(NC(=O)C[C@H]2CCC(=O)NC2)[n-]c1C#N	ZINC001362868454	928592761	/nfs/dbraw/zinc/59/27/61/928592761.db2.gz	YEQIKLWAUFFBQC-SSDOTTSWSA-N	-1	0	272.268	0.008	20	30		CCEDRM
Cc1cc(C#N)c(=O)[n-]c1C(=O)NCCC1(CO)CC1	ZINC001362944132	928681984	/nfs/dbraw/zinc/68/19/84/928681984.db2.gz	WBBZWHZPDKPJOE-UHFFFAOYSA-N	-1	0	275.308	0.860	20	30		CCEDRM
N#Cc1cccc(-n2ccc(C(=O)[N-]N3CCOC3=O)n2)c1	ZINC001363084400	928850200	/nfs/dbraw/zinc/85/02/00/928850200.db2.gz	GPIBZZLXURSFTF-UHFFFAOYSA-N	-1	0	297.274	0.841	20	30		CCEDRM
Cc1ccn(C[C@H](C)C(=O)Nc2nc(C#N)c(C#N)[n-]2)n1	ZINC001363155702	928926482	/nfs/dbraw/zinc/92/64/82/928926482.db2.gz	IKTFJDJRYWTAPY-QMMMGPOBSA-N	-1	0	283.295	0.933	20	30		CCEDRM
Cn1c(=O)[n-]c(N2CCc3cc(O)ccc3C2)c(C#N)c1=O	ZINC001363179774	928949393	/nfs/dbraw/zinc/94/93/93/928949393.db2.gz	TVJYGQYYFUVHCV-UHFFFAOYSA-N	-1	0	298.302	0.214	20	30		CCEDRM
C[C@H]1CCN(Cc2cc(=O)n3[n-]cc(C#N)c3n2)CCO1	ZINC001363333216	929126034	/nfs/dbraw/zinc/12/60/34/929126034.db2.gz	ZELRANQYHWGUCI-JTQLQIEISA-N	-1	0	287.323	0.917	20	30		CCEDRM
Cc1ccc(CNC(=O)CCc2nnn[n-]2)cc1C#N	ZINC001363386950	929172034	/nfs/dbraw/zinc/17/20/34/929172034.db2.gz	LZKVHBHGLJDDNW-UHFFFAOYSA-N	-1	0	270.296	0.629	20	30		CCEDRM
Cc1cc(C#N)ccc1C(=O)N1CCOC[C@@H]1c1nnn[n-]1	ZINC001363409276	929196722	/nfs/dbraw/zinc/19/67/22/929196722.db2.gz	DGQHACKDYYBPDO-GFCCVEGCSA-N	-1	0	298.306	0.594	20	30		CCEDRM
N#C[C@H]1CC[C@@H](NC(=O)c2cccc(-n3[n-]nnc3=N)c2)C1	ZINC001363452806	929252398	/nfs/dbraw/zinc/25/23/98/929252398.db2.gz	WILOPIIXKDZCPS-GXSJLCMTSA-N	-1	0	297.322	0.497	20	30		CCEDRM
CCn1[nH]c(C)nc1=NC(=O)c1[n-]c(=O)c(C#N)cc1C	ZINC001363698121	929495111	/nfs/dbraw/zinc/49/51/11/929495111.db2.gz	PXLOTXIIFROWMR-UHFFFAOYSA-N	-1	0	286.295	0.561	20	30		CCEDRM
N#Cc1cccc2c1CN(C(=O)Cn1c(=O)[n-][nH]c1=O)C2	ZINC001363761252	929551495	/nfs/dbraw/zinc/55/14/95/929551495.db2.gz	YYJLSFUTPJSKCV-UHFFFAOYSA-N	-1	0	285.263	0.103	20	30		CCEDRM
N#Cc1cccc(OCC(=O)NC2(c3nnn[n-]3)CCC2)c1	ZINC001363819535	929611982	/nfs/dbraw/zinc/61/19/82/929611982.db2.gz	IVJIPEGOPSTWOK-UHFFFAOYSA-N	-1	0	298.306	0.646	20	30		CCEDRM
CC[C@H](C)C[C@@H](C)NC(=O)Cn1cc(C#N)c(=O)[n-]c1=O	ZINC001444694874	929935350	/nfs/dbraw/zinc/93/53/50/929935350.db2.gz	QDFFMBXINQSGEO-VHSXEESVSA-N	-1	0	292.339	0.761	20	30		CCEDRM
C=C(CCC(=O)OC)C(=O)Nc1nc(OC)n[nH]1	ZINC001446191533	930364379	/nfs/dbraw/zinc/36/43/79/930364379.db2.gz	LBERGELBYXFOSJ-UHFFFAOYSA-N	-1	0	254.246	0.261	20	30		CCEDRM
Cc1ccc(C#N)cc1C(=O)Nn1c(=O)[n-][nH]c1=O	ZINC001450467698	931293338	/nfs/dbraw/zinc/29/33/38/931293338.db2.gz	REHGALLRXBZLMU-UHFFFAOYSA-N	-1	0	259.225	0.253	20	30		CCEDRM
CC[C@H](CNC(=O)c1[nH]nc(C)c1[O-])NC(=O)[C@H](C)C#N	ZINC001450893514	931352623	/nfs/dbraw/zinc/35/26/23/931352623.db2.gz	LSSLZIPKRWSPED-VXNVDRBHSA-N	-1	0	293.327	0.208	20	30		CCEDRM
CN(CCC(=O)[O-])C(=O)C(=O)Nc1ccc(C#N)cc1	ZINC001610920526	970790168	/nfs/dbraw/zinc/79/01/68/970790168.db2.gz	LVHQHJASLQHECX-UHFFFAOYSA-N	-1	0	275.264	0.430	20	30		CCEDRM
CO[C@@H]1CC[C@@H](NC(=O)[C@@](C)(C#N)CC(=O)[O-])C1	ZINC001610990553	970830428	/nfs/dbraw/zinc/83/04/28/970830428.db2.gz	BCCHGDFYYSXFLJ-KBVBSXBZSA-N	-1	0	254.286	0.675	20	30		CCEDRM
Cn1nc(C(=O)[O-])cc1C(=O)N[C@@]1(C#N)CC1(C)C	ZINC001601000441	970897659	/nfs/dbraw/zinc/89/76/59/970897659.db2.gz	JDQWYZUXUHJJPK-GFCCVEGCSA-N	-1	0	262.269	0.540	20	30		CCEDRM
N#Cc1cc(N2CCO[C@@H](C(=O)[O-])C2)cc(N)c1[N+](=O)[O-]	ZINC001611295838	970979655	/nfs/dbraw/zinc/97/96/55/970979655.db2.gz	NAHMPNLLDDZWAV-SNVBAGLBSA-N	-1	0	292.251	0.338	20	30		CCEDRM
C#CCC[C@H](O)CNC(=O)c1coc(/C=C\C(=O)[O-])c1	ZINC001602674932	971243541	/nfs/dbraw/zinc/24/35/41/971243541.db2.gz	GAOXMOUXNNPRDG-GZTOBOFZSA-N	-1	0	277.276	0.882	20	30		CCEDRM
C#CCC(CC#C)C(=O)NCC1(C(=O)[O-])CCOCC1	ZINC001602674942	971244922	/nfs/dbraw/zinc/24/49/22/971244922.db2.gz	GLVVOTJSXCIMSA-UHFFFAOYSA-N	-1	0	277.320	0.647	20	30		CCEDRM
C#CCN(CC(=O)N(C)CC(=O)[O-])C(=O)OC(C)(C)C	ZINC001602678780	971256754	/nfs/dbraw/zinc/25/67/54/971256754.db2.gz	GDARRZACNVOCMP-UHFFFAOYSA-N	-1	0	284.312	0.400	20	30		CCEDRM
C#CCN(CC(=O)[O-])C(=O)CCOc1ccc(C=O)cc1	ZINC001602682255	971266448	/nfs/dbraw/zinc/26/64/48/971266448.db2.gz	KLHMDVRKOIFOBB-UHFFFAOYSA-N	-1	0	289.287	0.814	20	30		CCEDRM
C#CCN(CC(=O)[O-])C(=O)Cc1ccc(CC)cn1	ZINC001602684039	971277956	/nfs/dbraw/zinc/27/79/56/971277956.db2.gz	OLPPOQNNQKECBQ-UHFFFAOYSA-N	-1	0	260.293	0.733	20	30		CCEDRM
C#CCN(CC(=O)[O-])C(=O)NCc1cccnc1OC	ZINC001602686269	971287393	/nfs/dbraw/zinc/28/73/93/971287393.db2.gz	YKCXESVVYBFHBN-UHFFFAOYSA-N	-1	0	277.280	0.320	20	30		CCEDRM
C#CCN(CC(=O)[O-])C(=O)c1cnc(OCC2CC2)cn1	ZINC001602692392	971301837	/nfs/dbraw/zinc/30/18/37/971301837.db2.gz	NGCWMQSZAVDYEO-UHFFFAOYSA-N	-1	0	289.291	0.425	20	30		CCEDRM
C#CCN(CC(=O)[O-])C(=O)c1cnc2onc(CC)c2c1	ZINC001602692064	971299773	/nfs/dbraw/zinc/29/97/73/971299773.db2.gz	CXNBVWCJZIUDJW-UHFFFAOYSA-N	-1	0	287.275	0.945	20	30		CCEDRM
C#CCN(CC(=O)[O-])C(=O)c1cn(C)nc1-c1ccco1	ZINC001602692171	971301019	/nfs/dbraw/zinc/30/10/19/971301019.db2.gz	GNJPOHCZGPJYHA-UHFFFAOYSA-N	-1	0	287.275	0.840	20	30		CCEDRM
C#CCN(CC(=O)[O-])C(=O)c1ccc2c(c1)ncn2C	ZINC001602692492	971303185	/nfs/dbraw/zinc/30/31/85/971303185.db2.gz	QZTJFSUXTHSBRF-UHFFFAOYSA-N	-1	0	271.276	0.733	20	30		CCEDRM
C#CCN(CC(=O)[O-])[C@H](C)C(=O)NCc1ccc(F)cc1	ZINC001602695423	971307822	/nfs/dbraw/zinc/30/78/22/971307822.db2.gz	FPCXISVZQUDYPZ-LLVKDONJSA-N	-1	0	292.310	0.850	20	30		CCEDRM
C#CCN(CC(=O)[O-])[C@H](C)c1nc(C(=O)OC)co1	ZINC001602695532	971309139	/nfs/dbraw/zinc/30/91/39/971309139.db2.gz	IQSOEBBEFIEFGC-MRVPVSSYSA-N	-1	0	266.253	0.542	20	30		CCEDRM
C#CCN(CC(=O)[O-])c1nnnn1C[C@](C)(CC)OC	ZINC001602700847	971322308	/nfs/dbraw/zinc/32/23/08/971322308.db2.gz	LUCBDSWFHJCSRS-LBPRGKRZSA-N	-1	0	281.316	0.012	20	30		CCEDRM
C#CCn1ccc(CN(CCOC)[C@H](C)C(=O)[O-])n1	ZINC001602704525	971335185	/nfs/dbraw/zinc/33/51/85/971335185.db2.gz	JSNBLERQNYWXBL-LLVKDONJSA-N	-1	0	265.313	0.438	20	30		CCEDRM
C#CCN(Cc1ccccc1)[C@@H]1CCN(CC(=O)[O-])C1=O	ZINC001602700978	971325360	/nfs/dbraw/zinc/32/53/60/971325360.db2.gz	QKMULUOAIOQYRV-CQSZACIVSA-N	-1	0	286.331	0.807	20	30		CCEDRM
C#CCN(Cc1ccc(F)cc1)C(=O)[C@@H](OC)C(=O)[O-]	ZINC001602701129	971326160	/nfs/dbraw/zinc/32/61/60/971326160.db2.gz	XUCPOZHPWJHKJN-GFCCVEGCSA-N	-1	0	279.267	0.887	20	30		CCEDRM
C=C(C)C(C)(C)C(=O)O[C@@H]1CCN(CC(=O)[O-])C1=O	ZINC001602707519	971345446	/nfs/dbraw/zinc/34/54/46/971345446.db2.gz	ZGHWRUZSWHBXNX-SECBINFHSA-N	-1	0	269.297	0.817	20	30		CCEDRM
C=C(C)CN(CC)C(=O)CNc1ccn(CC(=O)[O-])n1	ZINC001602710478	971351506	/nfs/dbraw/zinc/35/15/06/971351506.db2.gz	XWOTUYRCVBHTTR-UHFFFAOYSA-N	-1	0	280.328	0.804	20	30		CCEDRM
C=CCN(CC(=O)OCC)Cc1c(C(=O)[O-])cnn1C	ZINC001602722918	971390979	/nfs/dbraw/zinc/39/09/79/971390979.db2.gz	ZRLNQEUTJSNKHQ-UHFFFAOYSA-N	-1	0	281.312	0.669	20	30		CCEDRM
C=CCn1nnn(CN2C[C@H](C(=O)[O-])C[C@H](C)C2)c1=S	ZINC001602731205	971412401	/nfs/dbraw/zinc/41/24/01/971412401.db2.gz	YCZKJOQPGGYZPK-VHSXEESVSA-N	-1	0	297.384	0.995	20	30		CCEDRM
C[C@](C#N)(CC(=O)[O-])C(=O)N1CCC[C@H](CO)CC1	ZINC001602778258	971511640	/nfs/dbraw/zinc/51/16/40/971511640.db2.gz	FCCJALHSZKQEQG-GXFFZTMASA-N	-1	0	268.313	0.612	20	30		CCEDRM
C[C@@](C#N)(CC(=O)[O-])C(=O)NCCCOC[C@@H]1CCOC1	ZINC001602780448	971518860	/nfs/dbraw/zinc/51/88/60/971518860.db2.gz	GNRFOAHQAFWQAK-FZMZJTMJSA-N	-1	0	298.339	0.550	20	30		CCEDRM
C[C@@](C#N)(CC(=O)[O-])C(=O)NCC1(C#N)CCOCC1	ZINC001602781406	971524545	/nfs/dbraw/zinc/52/45/45/971524545.db2.gz	ZEVZGVSSSOSCJD-LBPRGKRZSA-N	-1	0	279.296	0.428	20	30		CCEDRM
C[C@@H](C#N)COC(=O)[C@H]1CCCN(CC(=O)[O-])C1=O	ZINC001602786329	971533275	/nfs/dbraw/zinc/53/32/75/971533275.db2.gz	LHOFVVSTGLZLPD-IUCAKERBSA-N	-1	0	268.269	0.012	20	30		CCEDRM
C[C@](C#N)(CC(=O)[O-])C(=O)NN1C[C@H]2CCC[C@@H]2C1	ZINC001602781596	971525674	/nfs/dbraw/zinc/52/56/74/971525674.db2.gz	DBLMHKWZINPXTG-GIPNMCIBSA-N	-1	0	265.313	0.754	20	30		CCEDRM
N#CCc1ccc(S(=O)(=O)N2CCC[C@H]2C(=O)[O-])cc1	ZINC000092130613	949142493	/nfs/dbraw/zinc/14/24/93/949142493.db2.gz	IFOKOXSYHRAQLF-LBPRGKRZSA-N	-1	0	294.332	0.990	20	30		CCEDRM
C#CCN(CC(=O)[O-])C(=O)[C@H]1Cc2ccccc2O1	ZINC000092476628	949144571	/nfs/dbraw/zinc/14/45/71/949144571.db2.gz	KUVUYDRZQFMBOI-GFCCVEGCSA-N	-1	0	259.261	0.537	20	30		CCEDRM
C#CCN(CC(=O)[O-])S(=O)(=O)c1cccc(F)c1	ZINC000092479773	949152705	/nfs/dbraw/zinc/15/27/05/949152705.db2.gz	FQIJPFZTLWJMAY-UHFFFAOYSA-N	-1	0	271.269	0.534	20	30		CCEDRM
C#CCN(CC(=O)[O-])S(=O)(=O)c1ccc(F)cc1	ZINC000092480109	949152853	/nfs/dbraw/zinc/15/28/53/949152853.db2.gz	CDNNJILJXCATAC-UHFFFAOYSA-N	-1	0	271.269	0.534	20	30		CCEDRM
C#CCN(CC(=O)[O-])C(=O)N[C@H](C)Cn1cccn1	ZINC000092490935	949159596	/nfs/dbraw/zinc/15/95/96/949159596.db2.gz	LNTZKWOYIJCCFD-SNVBAGLBSA-N	-1	0	264.285	0.001	20	30		CCEDRM
C#CCN(CC(=O)[O-])C(=O)NCCc1ccco1	ZINC000092490968	949160590	/nfs/dbraw/zinc/16/05/90/949160590.db2.gz	GPHKWKJKOIRZHG-UHFFFAOYSA-N	-1	0	250.254	0.552	20	30		CCEDRM
N#Cc1ccccc1OCC(=O)NCCOCC(=O)[O-]	ZINC000093228057	949165704	/nfs/dbraw/zinc/16/57/04/949165704.db2.gz	BTHHZEONDKDRHF-UHFFFAOYSA-N	-1	0	278.264	0.154	20	30		CCEDRM
C#CCN(CC(=O)[O-])C(=O)N[C@H](C)c1cn[nH]c1	ZINC000229754708	949659698	/nfs/dbraw/zinc/65/96/98/949659698.db2.gz	VNSPGCNSLOIQAH-MRVPVSSYSA-N	-1	0	250.258	0.200	20	30		CCEDRM
CCN([C@H](C)C(=O)[O-])S(=O)(=O)CC1(C#N)CCC1	ZINC001589713562	950350626	/nfs/dbraw/zinc/35/06/26/950350626.db2.gz	XLDPODHOUBEWCZ-SECBINFHSA-N	-1	0	274.342	0.805	20	30		CCEDRM
CCN(CCC#N)C(=O)C(=O)Nc1cncc(C(=O)[O-])c1	ZINC001589730379	950497432	/nfs/dbraw/zinc/49/74/32/950497432.db2.gz	UOOIWJRBRJOVOL-UHFFFAOYSA-N	-1	0	290.279	0.480	20	30		CCEDRM
C=CCNC(=O)NC(=O)C[N@@H+]1CC[C@H](C(=O)[O-])[C@H](C)C1	ZINC000312793761	950769716	/nfs/dbraw/zinc/76/97/16/950769716.db2.gz	GEUFRCBWYHVBSY-ZJUUUORDSA-N	-1	0	283.328	0.041	20	30		CCEDRM
C#CCN(CC(=O)[O-])C(=O)N[C@@H]1COCC1(C)C	ZINC000313057911	950780867	/nfs/dbraw/zinc/78/08/67/950780867.db2.gz	YJYXNTHQWDDQKI-SECBINFHSA-N	-1	0	254.286	0.141	20	30		CCEDRM
C#CCN(CCN1C[C@@H](C)O[C@H](C)C1)CC(=O)[O-]	ZINC000313950262	950805297	/nfs/dbraw/zinc/80/52/97/950805297.db2.gz	DUVZWVPWGAVFEF-VXGBXAGGSA-N	-1	0	254.330	0.115	20	30		CCEDRM
O=C([O-])Cn1cccc1C=NNC(=S)NC1CC1	ZINC001595158583	952182617	/nfs/dbraw/zinc/18/26/17/952182617.db2.gz	QAVAOJSCSFVBIJ-UHFFFAOYSA-N	-1	0	266.326	0.533	20	30		CCEDRM
O=C(NCC#C[C@H]1CCCCO1)N[C@H]1C[C@@H](C(=O)[O-])C1	ZINC001594737861	953352337	/nfs/dbraw/zinc/35/23/37/953352337.db2.gz	YOIRQMCPQNXVFM-GRYCIOLGSA-N	-1	0	280.324	0.721	20	30		CCEDRM
CCc1ncc(CNC(=O)[C@@](C)(C#N)CC(=O)[O-])o1	ZINC001593652107	953714953	/nfs/dbraw/zinc/71/49/53/953714953.db2.gz	FVEHVPNNJFNUHJ-GFCCVEGCSA-N	-1	0	265.269	0.858	20	30		CCEDRM
CC(C)[C@@H](C(=O)[O-])C(=O)N1CCO[C@](C)(C#N)C1	ZINC001602965099	971956487	/nfs/dbraw/zinc/95/64/87/971956487.db2.gz	KVZACOIJCWYAAD-BXKDBHETSA-N	-1	0	254.286	0.484	20	30		CCEDRM
CC(C)[C@@H](C(=O)[O-])C(=O)N1CCO[C@@](C)(C#N)C1	ZINC001602965108	971956546	/nfs/dbraw/zinc/95/65/46/971956546.db2.gz	KVZACOIJCWYAAD-SKDRFNHKSA-N	-1	0	254.286	0.484	20	30		CCEDRM
C[C@@H]1CCC[C@@](C#N)(NC(=O)COCC(=O)[O-])C1	ZINC001589315093	953828003	/nfs/dbraw/zinc/82/80/03/953828003.db2.gz	WCULWZHEUOPUAF-BXKDBHETSA-N	-1	0	254.286	0.676	20	30		CCEDRM
CC[C@H](C#N)OC(=O)c1cccn(CC(=O)[O-])c1=O	ZINC001589426474	954627500	/nfs/dbraw/zinc/62/75/00/954627500.db2.gz	LEVABMDEIIEVIY-MRVPVSSYSA-N	-1	0	264.237	0.392	20	30		CCEDRM
CC[C@@H](C(=O)[O-])N(C)CC(=O)NCc1cccc(C#N)c1	ZINC001589440723	954707969	/nfs/dbraw/zinc/70/79/69/954707969.db2.gz	HZHYTLSIQVZODL-ZDUSSCGKSA-N	-1	0	289.335	0.969	20	30		CCEDRM
COC(=O)CCN(CC#N)Cc1c(C(=O)[O-])cnn1C	ZINC001593835854	955180208	/nfs/dbraw/zinc/18/02/08/955180208.db2.gz	JHDPGUPITFSMFS-UHFFFAOYSA-N	-1	0	280.284	0.007	20	30		CCEDRM
COC(=O)CCN(CC(=O)[O-])C(=O)[C@H](C)CC#N	ZINC001593836168	955314521	/nfs/dbraw/zinc/31/45/21/955314521.db2.gz	SSOLSESKBBWCIQ-MRVPVSSYSA-N	-1	0	256.258	0.012	20	30		CCEDRM
C[C@@H](CCCO)CNC(=O)[C@](C)(C#N)CC(=O)[O-]	ZINC001589014022	955413728	/nfs/dbraw/zinc/41/37/28/955413728.db2.gz	IEPJQIKZXINDSR-CABZTGNLSA-N	-1	0	256.302	0.516	20	30		CCEDRM
Cn1ccnc1C(N)=NOCc1cccc(C(=O)[O-])c1	ZINC001594554172	955744631	/nfs/dbraw/zinc/74/46/31/955744631.db2.gz	KGMCQKSXGUDNMH-UHFFFAOYSA-N	-1	0	274.280	0.955	20	30		CCEDRM
Cn1nc(C(=O)[O-])cc1/C=C\C(=O)c1cnccn1	ZINC001594569314	955864079	/nfs/dbraw/zinc/86/40/79/955864079.db2.gz	RMZGQXDSJBMXBL-IHWYPQMZSA-N	-1	0	258.237	0.804	20	30		CCEDRM
CO[C@@H](C(=O)[O-])C(=O)[C@H](C#N)c1cccc(F)n1	ZINC001593901151	955870792	/nfs/dbraw/zinc/87/07/92/955870792.db2.gz	TUALESMCAJRYLX-LHLIQPBNSA-N	-1	0	252.201	0.497	20	30		CCEDRM
C[C@@H](NC(=O)C(=O)NCCC(=O)[O-])c1cccc(C#N)c1	ZINC001589086518	955905706	/nfs/dbraw/zinc/90/57/06/955905706.db2.gz	PVAHTOPCEVGUMP-SECBINFHSA-N	-1	0	289.291	0.326	20	30		CCEDRM
Cn1ncc(C(=O)[O-])c1CN1CC[C@](F)(C#N)C1	ZINC001594578820	955943846	/nfs/dbraw/zinc/94/38/46/955943846.db2.gz	BRSIVAIDOICTGL-NSHDSACASA-N	-1	0	252.249	0.556	20	30		CCEDRM
CO[C@@H](C(=O)[O-])C(=O)OC[C@H]1CC[C@@H](C#N)CC1	ZINC001593920916	956075307	/nfs/dbraw/zinc/07/53/07/956075307.db2.gz	VKPLVDKMHURFGF-AEJSXWLSSA-N	-1	0	255.270	0.959	20	30		CCEDRM
CO[C@@](C)(C(=O)[O-])C(=O)NCc1ccc(C)c(C#N)c1	ZINC001593925874	956124777	/nfs/dbraw/zinc/12/47/77/956124777.db2.gz	MLKNQZDUMAHDFR-CQSZACIVSA-N	-1	0	276.292	0.973	20	30		CCEDRM
N#C[C@@]1(F)CCN(C(=O)c2ccc(C(=O)[O-])cn2)C1	ZINC001594602095	956142569	/nfs/dbraw/zinc/14/25/69/956142569.db2.gz	JXPVPUSFYUGZKW-LBPRGKRZSA-N	-1	0	263.228	0.858	20	30		CCEDRM
CO[C@@](C)(C(=O)[O-])C(=O)NCc1ccnc(C#N)c1	ZINC001593927377	956143313	/nfs/dbraw/zinc/14/33/13/956143313.db2.gz	YREGQIUDMCSUFL-GFCCVEGCSA-N	-1	0	263.253	0.059	20	30		CCEDRM
N#CC1(COC(=O)[C@@H](C(=O)[O-])C2CCCC2)COC1	ZINC001594603583	956156325	/nfs/dbraw/zinc/15/63/25/956156325.db2.gz	FWGPYIUSYCWSBO-SNVBAGLBSA-N	-1	0	267.281	0.961	20	30		CCEDRM
N#CC1(CNC(=O)N[C@H]2CC[C@@H](C(=O)[O-])C2)CCOCC1	ZINC001594604168	956161389	/nfs/dbraw/zinc/16/13/89/956161389.db2.gz	QZQIUMZMQHCRRV-MNOVXSKESA-N	-1	0	295.339	0.859	20	30		CCEDRM
N#C[C@H]1CCCN(C(=O)C(=O)NCCCCCC(=O)[O-])C1	ZINC001594606511	956184138	/nfs/dbraw/zinc/18/41/38/956184138.db2.gz	YPIFKRMNSIDRKK-LLVKDONJSA-N	-1	0	295.339	0.510	20	30		CCEDRM
N#CCN(CC#N)C(=O)/C=C\c1ccc(C(=O)[O-])o1	ZINC001594609834	956195706	/nfs/dbraw/zinc/19/57/06/956195706.db2.gz	LXABYCBYCUAALS-RQOWECAXSA-N	-1	0	259.221	0.867	20	30		CCEDRM
N#CCCNC(=O)CN[C@H](C(=O)[O-])c1ccc(F)cc1	ZINC001594609952	956196966	/nfs/dbraw/zinc/19/69/66/956196966.db2.gz	GPDUGAASNKIQNW-LBPRGKRZSA-N	-1	0	279.271	0.571	20	30		CCEDRM
N#CCCn1ccc(NC(=O)[C@H](C(=O)[O-])C2CC2)n1	ZINC001594610374	956202273	/nfs/dbraw/zinc/20/22/73/956202273.db2.gz	PMSQSKZCXJQHPE-SNVBAGLBSA-N	-1	0	262.269	0.846	20	30		CCEDRM
N#CCc1cccc(NC(=O)[C@@]2(C(=O)[O-])CCCO2)n1	ZINC001594610987	956209361	/nfs/dbraw/zinc/20/93/61/956209361.db2.gz	KSDVPVHREKMQRZ-CYBMUJFWSA-N	-1	0	275.264	0.720	20	30		CCEDRM
N#Cc1cc2c(nc1N1CC[C@@H](C(=O)[O-])C1)CCOC2	ZINC001594617164	956248571	/nfs/dbraw/zinc/24/85/71/956248571.db2.gz	DSTLASYSKIAISF-SECBINFHSA-N	-1	0	273.292	0.937	20	30		CCEDRM
N#Cc1ccc(C[C@H](C#N)C(=O)NCCC(=O)[O-])cc1	ZINC001594618101	956260366	/nfs/dbraw/zinc/26/03/66/956260366.db2.gz	CRDLMGGBVGYMAB-GFCCVEGCSA-N	-1	0	271.276	0.831	20	30		CCEDRM
C[C@@](O)(CNC(=O)c1ccccc1OCC#N)C(=O)[O-]	ZINC001589144754	956282072	/nfs/dbraw/zinc/28/20/72/956282072.db2.gz	WNIUVQIUEKJXRN-CYBMUJFWSA-N	-1	0	278.264	0.154	20	30		CCEDRM
C[C@](O)(CNc1snc(Cl)c1C#N)C(=O)[O-]	ZINC001589147600	956310902	/nfs/dbraw/zinc/31/09/02/956310902.db2.gz	ICRUAUCDZIWNKP-QMMMGPOBSA-N	-1	0	261.690	0.916	20	30		CCEDRM
N#Cc1cccc([N+](=O)[O-])c1CN[C@@]1(C(=O)[O-])CCOC1	ZINC001594628531	956331834	/nfs/dbraw/zinc/33/18/34/956331834.db2.gz	ATHMGRVMCPEUEG-ZDUSSCGKSA-N	-1	0	291.263	0.800	20	30		CCEDRM
N#Cc1ccccc1N1CCC(NC(=O)C(=O)[O-])CC1	ZINC001594631751	956345934	/nfs/dbraw/zinc/34/59/34/956345934.db2.gz	IMAKUMJLISFPGH-UHFFFAOYSA-N	-1	0	273.292	0.728	20	30		CCEDRM
N#Cc1cncc(CNC(=O)[C@@H](C(=O)[O-])C2CC2)c1	ZINC001594633154	956357559	/nfs/dbraw/zinc/35/75/59/956357559.db2.gz	PQUUNYDVKPKZBG-NSHDSACASA-N	-1	0	259.265	0.680	20	30		CCEDRM
N#Cc1cnc(C(=O)N2CCO[C@@H](C(=O)[O-])C2)c(Cl)c1	ZINC001594633554	956359149	/nfs/dbraw/zinc/35/91/49/956359149.db2.gz	VUNXGMTXVHBWIW-SECBINFHSA-N	-1	0	295.682	0.532	20	30		CCEDRM
C[C@]1(C#N)CN(C(=O)[C@@H](C(=O)[O-])C2CC2)CCO1	ZINC001589182289	956535870	/nfs/dbraw/zinc/53/58/70/956535870.db2.gz	YBTZYRGIIREFQB-CABZTGNLSA-N	-1	0	252.270	0.238	20	30		CCEDRM
C[C@@H](CC#N)NC(=O)C(=O)Nc1ccc(C(=O)[O-])cc1F	ZINC001603118473	972197751	/nfs/dbraw/zinc/19/77/51/972197751.db2.gz	AOPXBVHCEGMJQC-ZETCQYMHSA-N	-1	0	293.254	0.881	20	30		CCEDRM
C[C@]1(C(=O)[O-])CCN(C(=O)c2ccnc(C#N)c2)C1	ZINC001589196607	956614449	/nfs/dbraw/zinc/61/44/49/956614449.db2.gz	AYOKEEDWLOAAHP-ZDUSSCGKSA-N	-1	0	259.265	0.890	20	30		CCEDRM
CC1(C)C[C@]1(C(=O)[O-])C(=O)N1CCN(C2CC2)[C@@H](C#N)C1	ZINC001589212273	956700813	/nfs/dbraw/zinc/70/08/13/956700813.db2.gz	IDCMMVWAABONIS-XHDPSFHLSA-N	-1	0	291.351	0.686	20	30		CCEDRM
COC[C@@]1(C(=O)[O-])CN(Cc2cncc(C#N)c2)CCO1	ZINC001593984364	956748713	/nfs/dbraw/zinc/74/87/13/956748713.db2.gz	PSMINJIAXIAMIU-CQSZACIVSA-N	-1	0	291.307	0.255	20	30		CCEDRM
C#CC[C@H](NS(=O)(=O)c1ccsc1)C(=O)[O-]	ZINC000390148577	972267023	/nfs/dbraw/zinc/26/70/23/972267023.db2.gz	SEOLZLZUSITSLG-QMMMGPOBSA-N	-1	0	259.308	0.503	20	30		CCEDRM
N#CCc1ccc(NC(=O)NCC(=O)NCC(=O)[O-])cc1	ZINC000051602057	957505149	/nfs/dbraw/zinc/50/51/49/957505149.db2.gz	LSOZJYRUNBBCPP-UHFFFAOYSA-N	-1	0	290.279	0.075	20	30		CCEDRM
O=C([O-])[C@@H]1CC[C@H]1C(=O)N1CCC2(CC1)CC(=O)C=CO2	ZINC001574825103	957927061	/nfs/dbraw/zinc/92/70/61/957927061.db2.gz	JGODHODYUHOWAA-VXGBXAGGSA-N	-1	0	293.319	0.962	20	30		CCEDRM
C#CC1(O)CCN(C(=O)[C@H]2CO[C@H](CCC(=O)[O-])C2)CC1	ZINC001588386006	957974639	/nfs/dbraw/zinc/97/46/39/957974639.db2.gz	MTGUQXQSEHMYNV-VXGBXAGGSA-N	-1	0	295.335	0.243	20	30		CCEDRM
C#C[C@@H](NC(=O)NC[C@@H](CC)C(=O)[O-])C1CCOCC1	ZINC001588386360	957976372	/nfs/dbraw/zinc/97/63/72/957976372.db2.gz	PLEZQOARYABEQG-ZYHUDNBSSA-N	-1	0	282.340	0.825	20	30		CCEDRM
C#CC[C@H](COC)NC(=O)Nc1ccnc(C(=O)[O-])c1	ZINC001588388535	957994755	/nfs/dbraw/zinc/99/47/55/957994755.db2.gz	CASLWLXHRUNZMM-SNVBAGLBSA-N	-1	0	277.280	0.940	20	30		CCEDRM
C#CC[C@H]1NC(=O)N(c2cccc(C(=O)[O-])c2)C1=O	ZINC001588391175	958020188	/nfs/dbraw/zinc/02/01/88/958020188.db2.gz	CACLZSZXCUYIKI-SNVBAGLBSA-N	-1	0	258.233	0.833	20	30		CCEDRM
COc1cc(C=NOCC(=O)NCC(=O)[O-])cc(OC)c1	ZINC001594054824	958024488	/nfs/dbraw/zinc/02/44/88/958024488.db2.gz	MMQSREMGGWEBME-UHFFFAOYSA-N	-1	0	296.279	0.255	20	30		CCEDRM
C#CCC1(O)CCN(C(=O)NCCCCC(=O)[O-])CC1	ZINC001588392401	958032573	/nfs/dbraw/zinc/03/25/73/958032573.db2.gz	ZPMQTNMOFIVSBR-UHFFFAOYSA-N	-1	0	282.340	0.801	20	30		CCEDRM
C#CCN(CC(=O)[O-])C(=O)[C@@H]1CCCN1c1nccs1	ZINC001588399234	958071663	/nfs/dbraw/zinc/07/16/63/958071663.db2.gz	HPNLJYUPMGSXJF-JTQLQIEISA-N	-1	0	293.348	0.658	20	30		CCEDRM
C#CCN(CC(=O)[O-])C(=O)CCc1cnn(C)c1C	ZINC001588402192	958088396	/nfs/dbraw/zinc/08/83/96/958088396.db2.gz	OFMUJACUUWNFKG-UHFFFAOYSA-N	-1	0	263.297	0.208	20	30		CCEDRM
C#CCN(CC(=O)[O-])C(=O)Cc1cn2cc(C)sc2n1	ZINC001588407202	958098378	/nfs/dbraw/zinc/09/83/78/958098378.db2.gz	IIUOJGATIRGYNV-UHFFFAOYSA-N	-1	0	291.332	0.793	20	30		CCEDRM
C#CCN(CC(=O)[O-])C(=O)NC[C@@H](C)Cn1cccn1	ZINC001588409097	958122803	/nfs/dbraw/zinc/12/28/03/958122803.db2.gz	BTPDRAHJZSUQKM-LLVKDONJSA-N	-1	0	278.312	0.249	20	30		CCEDRM
C#CCN(CC(=O)[O-])C(=O)NCc1ncccc1F	ZINC001588409515	958127985	/nfs/dbraw/zinc/12/79/85/958127985.db2.gz	YLZPZTUCWPVFHD-UHFFFAOYSA-N	-1	0	265.244	0.450	20	30		CCEDRM
C#CCN(CC(=O)[O-])C(=O)N[C@H]1CCOC12CCCC2	ZINC001588410330	958136966	/nfs/dbraw/zinc/13/69/66/958136966.db2.gz	SQARBNHHPUHDDH-NSHDSACASA-N	-1	0	280.324	0.818	20	30		CCEDRM
C#CCN(CC(=O)[O-])C(=O)Nc1ccc([S@](C)=O)cc1	ZINC001588413160	958156681	/nfs/dbraw/zinc/15/66/81/958156681.db2.gz	SZVCSELHHVTVFE-FQEVSTJZSA-N	-1	0	294.332	0.976	20	30		CCEDRM
C#CCN(CC(=O)[O-])C(=O)c1cc([N+](=O)[O-])c(F)cc1N	ZINC001588416111	958160819	/nfs/dbraw/zinc/16/08/19/958160819.db2.gz	GMGAQPASTCKSDD-UHFFFAOYSA-N	-1	0	295.226	0.476	20	30		CCEDRM
C#CCN(CC(=O)[O-])C(=O)c1cc(F)c(C=O)cc1F	ZINC001588416117	958160999	/nfs/dbraw/zinc/16/09/99/958160999.db2.gz	GUJVDFVZOAOFRI-UHFFFAOYSA-N	-1	0	281.214	0.937	20	30		CCEDRM
C#CCN(CC(=O)[O-])C(=O)c1ccc(C(=O)OC)nc1	ZINC001588416952	958167868	/nfs/dbraw/zinc/16/78/68/958167868.db2.gz	YDUIGAMKHPJZOW-UHFFFAOYSA-N	-1	0	276.248	0.028	20	30		CCEDRM
C#CCN(CC(=O)[O-])C(=O)c1c(C)nsc1C	ZINC001588417256	958169499	/nfs/dbraw/zinc/16/94/99/958169499.db2.gz	DYZPSPGDWNOYQB-UHFFFAOYSA-N	-1	0	252.295	0.920	20	30		CCEDRM
C#CCN(CC(=O)[O-])C(=O)c1nccc2occc21	ZINC001588418939	958188341	/nfs/dbraw/zinc/18/83/41/958188341.db2.gz	WWGBZBYPXBQGRV-UHFFFAOYSA-N	-1	0	258.233	0.988	20	30		CCEDRM
C#CCN(CC(=O)[O-])C(=O)c1ccnc(-c2ncc[nH]2)c1	ZINC001588419180	958192852	/nfs/dbraw/zinc/19/28/52/958192852.db2.gz	WFTJHZFDTNSRJA-UHFFFAOYSA-N	-1	0	284.275	0.632	20	30		CCEDRM
C#CCN(CC(=O)[O-])[C@@H](C)C(=O)N1CCc2ccccc21	ZINC001588420306	958203432	/nfs/dbraw/zinc/20/34/32/958203432.db2.gz	VCLVGPNBLNCXJD-LBPRGKRZSA-N	-1	0	286.331	0.984	20	30		CCEDRM
C#CCN(CC(=O)[O-])C[C@H]1[C@@H](C(=O)OC)C1(F)F	ZINC001588423737	958208532	/nfs/dbraw/zinc/20/85/32/958208532.db2.gz	DOMZFSHPUBNFBZ-CBAPKCEASA-N	-1	0	261.224	0.061	20	30		CCEDRM
C#CCN(CC(=O)[O-])Cc1nnc(C2CCC2)n1C	ZINC001588425222	958224331	/nfs/dbraw/zinc/22/43/31/958224331.db2.gz	KAIKHOYLSVUFTG-UHFFFAOYSA-N	-1	0	262.313	0.602	20	30		CCEDRM
C#CCN(CC(=O)[O-])c1nnc([C@H](O)CC)n1CC(=C)C	ZINC001588426730	958232322	/nfs/dbraw/zinc/23/23/22/958232322.db2.gz	AHGPOPALXVAQAG-LLVKDONJSA-N	-1	0	292.339	0.822	20	30		CCEDRM
C#CCN1CCCN(C(=O)[C@@H](C(=O)[O-])C2CC2)CC1	ZINC001588430166	958253921	/nfs/dbraw/zinc/25/39/21/958253921.db2.gz	IVLWJRMVOLQKHH-LBPRGKRZSA-N	-1	0	264.325	0.265	20	30		CCEDRM
C#CCO[C@H](C)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)[O-]	ZINC001588431026	958264136	/nfs/dbraw/zinc/26/41/36/958264136.db2.gz	JLDPGLDEBASYFX-MFKMUULPSA-N	-1	0	291.303	0.542	20	30		CCEDRM
C#CCN1CCC[C@H](NC(=O)C2(CC(=O)[O-])CCC2)C1	ZINC001588431317	958269131	/nfs/dbraw/zinc/26/91/31/958269131.db2.gz	WFWMHVNOOCBCIF-LBPRGKRZSA-N	-1	0	278.352	0.845	20	30		CCEDRM
C#C[C@H]1CC[C@H](NC(=O)C(=O)NC[C@@H](CC)C(=O)[O-])CC1	ZINC001588433866	958300382	/nfs/dbraw/zinc/30/03/82/958300382.db2.gz	XAGFQSNDTMRIEH-IJLUTSLNSA-N	-1	0	294.351	0.522	20	30		CCEDRM
C#CCOc1ccc(NC(=O)[C@@H]2CC(C(=O)[O-])=NO2)cc1	ZINC001588434031	958303251	/nfs/dbraw/zinc/30/32/51/958303251.db2.gz	YCSYRURVBFTQSK-LBPRGKRZSA-N	-1	0	288.259	0.867	20	30		CCEDRM
C#Cc1ccc(S(=O)(=O)N(CCOC)CC(=O)[O-])cc1	ZINC001588438916	958307661	/nfs/dbraw/zinc/30/76/61/958307661.db2.gz	JPOBBDILOCRYPH-UHFFFAOYSA-N	-1	0	297.332	0.390	20	30		CCEDRM
C#Cc1ccccc1CC(=O)Nc1ncn(CC(=O)[O-])n1	ZINC001588439198	958313109	/nfs/dbraw/zinc/31/31/09/958313109.db2.gz	JDFYRZUYEYKNCW-UHFFFAOYSA-N	-1	0	284.275	0.525	20	30		CCEDRM
C#Cc1ccc(CN2CCO[C@@](COC)(C(=O)[O-])C2)cc1	ZINC001588439264	958314946	/nfs/dbraw/zinc/31/49/46/958314946.db2.gz	PUKZOUZPTIZQRO-INIZCTEOSA-N	-1	0	289.331	0.970	20	30		CCEDRM
C=C(C)C[C@H](CO)NC(=O)[C@H]1CO[C@H](CCC(=O)[O-])C1	ZINC001588442669	958346549	/nfs/dbraw/zinc/34/65/49/958346549.db2.gz	UOUPRUGPAFIJGB-IJLUTSLNSA-N	-1	0	285.340	0.700	20	30		CCEDRM
C=C(C)Cn1c(CO)nnc1N1C[C@H](C)C[C@@H](C(=O)[O-])C1	ZINC001588442856	958347876	/nfs/dbraw/zinc/34/78/76/958347876.db2.gz	LBOAMUHOUCLKKP-GHMZBOCLSA-N	-1	0	294.355	0.894	20	30		CCEDRM
C=C(CCC(=O)OC)C(=O)N1CCC[C@H](C(=O)[O-])C1	ZINC001588444816	958368428	/nfs/dbraw/zinc/36/84/28/958368428.db2.gz	SSDQIGXVYSECPE-JTQLQIEISA-N	-1	0	269.297	0.819	20	30		CCEDRM
COc1ccc(CON2C[C@@H](C(=O)[O-])CC2=O)cc1C#N	ZINC001594095726	958397421	/nfs/dbraw/zinc/39/74/21/958397421.db2.gz	CBULBDXTINNIJW-NSHDSACASA-N	-1	0	290.275	0.932	20	30		CCEDRM
C=CC[C@H](CO)NC(=O)Nc1ccn(CC(=O)[O-])n1	ZINC001588452476	958423443	/nfs/dbraw/zinc/42/34/43/958423443.db2.gz	BIXLAKBPMXZGFB-MRVPVSSYSA-N	-1	0	268.273	0.026	20	30		CCEDRM
C=CCC1(O)CCN(C(=O)[C@](C)(OC)C(=O)[O-])CC1	ZINC001588458799	958465402	/nfs/dbraw/zinc/46/54/02/958465402.db2.gz	ZALJWVQONZAZRU-LBPRGKRZSA-N	-1	0	271.313	0.406	20	30		CCEDRM
C=CCN(C(=O)c1cc(C(=O)[O-])n[nH]1)[C@@H](C)COC	ZINC001588463382	958484198	/nfs/dbraw/zinc/48/41/98/958484198.db2.gz	OTQVZADPUBSKBJ-QMMMGPOBSA-N	-1	0	267.285	0.771	20	30		CCEDRM
C=CCN(CN1C[C@H](C(=O)[O-])CC1=O)[C@H](C)COC	ZINC001588464430	958491145	/nfs/dbraw/zinc/49/11/45/958491145.db2.gz	QPDMUGVMSWRILY-GHMZBOCLSA-N	-1	0	270.329	0.400	20	30		CCEDRM
C=CCN1CC[C@@H](OC(=O)c2ncccc2C(=O)[O-])C1=O	ZINC001588465330	958500915	/nfs/dbraw/zinc/50/09/15/958500915.db2.gz	CACYGCKJHRGXEX-SNVBAGLBSA-N	-1	0	290.275	0.724	20	30		CCEDRM
C=CCNC(=O)[C@H](C)OC(=O)c1cnc(C(=O)[O-])cn1	ZINC001588465425	958503850	/nfs/dbraw/zinc/50/38/50/958503850.db2.gz	JFRRDLFYYIJYMB-ZETCQYMHSA-N	-1	0	279.252	0.022	20	30		CCEDRM
C=CCNC(=O)[C@H](C#N)C(=O)[C@H]1CC[C@H]1C(=O)[O-]	ZINC001588465516	958505348	/nfs/dbraw/zinc/50/53/48/958505348.db2.gz	PKUHLWGVGBQJCD-DJLDLDEBSA-N	-1	0	250.254	0.108	20	30		CCEDRM
C=C[C@@H]1OCCC[C@H]1NC(=O)[C@@H]1CC(C(=O)[O-])=NO1	ZINC001588474690	958558708	/nfs/dbraw/zinc/55/87/08/958558708.db2.gz	NGXQNWATRGVHDT-JEZHCXPESA-N	-1	0	268.269	0.066	20	30		CCEDRM
C=C[C@H](CO)NC(=O)c1ccc(OCC(=O)[O-])cc1	ZINC001588478893	958573517	/nfs/dbraw/zinc/57/35/17/958573517.db2.gz	ZUFAVIHKXYLIBG-SNVBAGLBSA-N	-1	0	265.265	0.427	20	30		CCEDRM
C[C@](C#N)(CC(=O)[O-])C(=O)N1C[C@@H]2CCC[C@]2(CO)C1	ZINC001573360740	958595233	/nfs/dbraw/zinc/59/52/33/958595233.db2.gz	YNNMDNVZYKIYGL-ZLKJLUDKSA-N	-1	0	280.324	0.612	20	30		CCEDRM
COc1cccc(C#CCOC(=O)[C@@H](OC)C(=O)[O-])c1	ZINC001594120882	958596957	/nfs/dbraw/zinc/59/69/57/958596957.db2.gz	LTRIGHIQNINWHT-LBPRGKRZSA-N	-1	0	278.260	0.690	20	30		CCEDRM
C[C@@](C#N)(CC(=O)[O-])C(=O)Nc1cnc2nccn2c1	ZINC001573362404	958597911	/nfs/dbraw/zinc/59/79/11/958597911.db2.gz	AQDITSCDGVJZIF-LBPRGKRZSA-N	-1	0	273.252	0.672	20	30		CCEDRM
C[C@@](C#N)(CC(=O)[O-])C(=O)N[C@@H]1C[C@H]1C1CCOCC1	ZINC001573363541	958608054	/nfs/dbraw/zinc/60/80/54/958608054.db2.gz	JZEGKEAAUZNYBM-WDMOLILDSA-N	-1	0	280.324	0.922	20	30		CCEDRM
C=C(C)CN(CC)C(=O)CN1CCOC[C@H]1CC(=O)[O-]	ZINC000130039931	958727981	/nfs/dbraw/zinc/72/79/81/958727981.db2.gz	CBTNEVDCFSNGPF-GFCCVEGCSA-N	-1	0	284.356	0.587	20	30		CCEDRM
CC[C@@H](CC#N)NS(=O)(=O)c1scnc1C(=O)[O-]	ZINC000134705568	958855250	/nfs/dbraw/zinc/85/52/50/958855250.db2.gz	VFVQYVJUEVSPNO-LURJTMIESA-N	-1	0	289.338	0.812	20	30		CCEDRM
C=C(C)CN(C)S(=O)(=O)c1n[nH]c(C)c1C(=O)[O-]	ZINC000135287012	958885887	/nfs/dbraw/zinc/88/58/87/958885887.db2.gz	WRKPERACTICTFL-UHFFFAOYSA-N	-1	0	273.314	0.613	20	30		CCEDRM
Cc1cccc(NC(=O)C(=O)N[C@@H](C)CC(=O)[O-])c1C#N	ZINC001594405458	958901627	/nfs/dbraw/zinc/90/16/27/958901627.db2.gz	IDOXGXAPHZKFOB-VIFPVBQESA-N	-1	0	289.291	0.785	20	30		CCEDRM
C[C@](C#N)(CC(=O)[O-])C(=O)NC[C@H](CO)c1cccnc1	ZINC001588538494	958942225	/nfs/dbraw/zinc/94/22/25/958942225.db2.gz	IVWKOVUECWKREM-BXUZGUMPSA-N	-1	0	291.307	0.278	20	30		CCEDRM
C#CC[C@H](NS(=O)(=O)c1ccc(OC)cc1)C(=O)[O-]	ZINC000140509239	958973001	/nfs/dbraw/zinc/97/30/01/958973001.db2.gz	RCSROHLOJCTQAD-NSHDSACASA-N	-1	0	283.305	0.450	20	30		CCEDRM
C#CC[C@@H](NC(=O)CNC(=O)Nc1ccccc1)C(=O)[O-]	ZINC000149684537	959022229	/nfs/dbraw/zinc/02/22/29/959022229.db2.gz	WVALSYHYLLHDHQ-LLVKDONJSA-N	-1	0	289.291	0.401	20	30		CCEDRM
C[C@@](C#N)(CC(=O)[O-])C(=O)NCC[C@@]1(O)CCCOC1	ZINC001588558433	959086212	/nfs/dbraw/zinc/08/62/12/959086212.db2.gz	UYCQILVTQBBMDI-STQMWFEESA-N	-1	0	284.312	0.039	20	30		CCEDRM
C[C@@](C#N)(CC(=O)[O-])C(=O)NC[C@H]1CC[C@H](C(N)=O)CC1	ZINC001588558492	959088075	/nfs/dbraw/zinc/08/80/75/959088075.db2.gz	WZUKIGVAEVERHC-BHDSKKPTSA-N	-1	0	295.339	0.399	20	30		CCEDRM
C[C@@](C#N)(CC(=O)[O-])C(=O)NCc1ccc(CO)cc1	ZINC001588558512	959088155	/nfs/dbraw/zinc/08/81/55/959088155.db2.gz	XPXWKLRZAXZSPN-AWEZNQCLSA-N	-1	0	276.292	0.800	20	30		CCEDRM
C[C@](NCC(=O)NCCC#N)(C(=O)[O-])c1ccccc1	ZINC001603246807	972403108	/nfs/dbraw/zinc/40/31/08/972403108.db2.gz	CUBPDHNFKIJRBW-CQSZACIVSA-N	-1	0	275.308	0.606	20	30		CCEDRM
CC(C)COC[C@H](O)CNC(=O)[C@@](C)(C#N)CC(=O)[O-]	ZINC001573522812	959131764	/nfs/dbraw/zinc/13/17/64/959131764.db2.gz	PVCSCWUYWMKGHW-ZWNOBZJWSA-N	-1	0	286.328	0.141	20	30		CCEDRM
C[C@@H](CC#N)N(C)S(=O)(=O)N[C@H]1CCC[C@H]1C(=O)[O-]	ZINC001573536283	959170608	/nfs/dbraw/zinc/17/06/08/959170608.db2.gz	YIGCXUSXRLRRRM-AEJSXWLSSA-N	-1	0	289.357	0.308	20	30		CCEDRM
C[C@@H]1CCC[C@H](C(=O)[O-])N1CC(=O)NC1(C#N)CCC1	ZINC001594213550	959308589	/nfs/dbraw/zinc/30/85/89/959308589.db2.gz	HCWOSAKUIDODQK-GHMZBOCLSA-N	-1	0	279.340	0.876	20	30		CCEDRM
C[C@@](O)(CNC(=O)Nc1cc(C#N)c(F)cc1F)C(=O)[O-]	ZINC001573579613	959347715	/nfs/dbraw/zinc/34/77/15/959347715.db2.gz	AAKJEONUWYMINL-GFCCVEGCSA-N	-1	0	299.233	0.794	20	30		CCEDRM
C[C@@](O)(CNC(=O)[C@H](C#N)CCc1ccccc1)C(=O)[O-]	ZINC001573583059	959361784	/nfs/dbraw/zinc/36/17/84/959361784.db2.gz	RPHKDZGQJYOXCG-SWLSCSKDSA-N	-1	0	290.319	0.711	20	30		CCEDRM
C[C@]1(C#N)CN(C(=O)Nc2cc(C(=O)[O-])ccn2)CCO1	ZINC001573643392	959626682	/nfs/dbraw/zinc/62/66/82/959626682.db2.gz	OTAKFQRTZGKJBL-ZDUSSCGKSA-N	-1	0	290.279	0.926	20	30		CCEDRM
Cc1c(C(=O)N(C)CCC(=O)[O-])cnn1CCC#N	ZINC001594255459	959643876	/nfs/dbraw/zinc/64/38/76/959643876.db2.gz	CIDYRNGHEBDDEM-UHFFFAOYSA-N	-1	0	264.285	0.652	20	30		CCEDRM
C[C@]1(C(=O)[O-])CCN(c2cnc(C#N)c(C#N)n2)C1	ZINC001573654210	959664121	/nfs/dbraw/zinc/66/41/21/959664121.db2.gz	YDJZLPBFRALHMM-LBPRGKRZSA-N	-1	0	257.253	0.521	20	30		CCEDRM
C[C@H]1CC[C@@H](C(=O)[O-])CN1c1cnc(C#N)c(C#N)n1	ZINC001573713050	959861209	/nfs/dbraw/zinc/86/12/09/959861209.db2.gz	WVJKUEMJCACCCD-DTWKUNHWSA-N	-1	0	271.280	0.909	20	30		CCEDRM
C#CCNS(=O)(=O)c1c(C)csc1C(=O)[O-]	ZINC000226464927	959879786	/nfs/dbraw/zinc/87/97/86/959879786.db2.gz	ZIWYFYZFFJCBCR-UHFFFAOYSA-N	-1	0	259.308	0.666	20	30		CCEDRM
C[C@H](O)CNN=Cc1ccc(N2CCC(C(=O)[O-])CC2)o1	ZINC001603268247	972463788	/nfs/dbraw/zinc/46/37/88/972463788.db2.gz	GTOTUUFNYIBBEO-JTQLQIEISA-N	-1	0	295.339	0.885	20	30		CCEDRM
C#CC[C@H](NS(=O)(=O)CCC(C)(C)C)C(=O)[O-]	ZINC000230100291	960127192	/nfs/dbraw/zinc/12/71/92/960127192.db2.gz	BEXJZRFAYSOFBO-VIFPVBQESA-N	-1	0	261.343	0.819	20	30		CCEDRM
Cn1nccc1[C@@H](NC(=O)c1ccc(C#N)s1)C(=O)[O-]	ZINC001571037925	960548083	/nfs/dbraw/zinc/54/80/83/960548083.db2.gz	FQNKMTCPFKULPM-SNVBAGLBSA-N	-1	0	290.304	0.909	20	30		CCEDRM
N#CC1(C(=O)[O-])CCN(S(=O)(=O)c2cccnc2)CC1	ZINC001571055097	960711945	/nfs/dbraw/zinc/71/19/45/960711945.db2.gz	QBGKFZBIOKANCH-UHFFFAOYSA-N	-1	0	295.320	0.461	20	30		CCEDRM
C[C@]1(NC(=O)N2CCC(C#N)(C(=O)[O-])CC2)CCOC1=O	ZINC001571055505	960720737	/nfs/dbraw/zinc/72/07/37/960720737.db2.gz	YHFMSVYGLHZYIA-LBPRGKRZSA-N	-1	0	295.295	0.092	20	30		CCEDRM
CO[C@H]1CC[C@H](NC(=O)N2CCC(C#N)(C(=O)[O-])CC2)C1	ZINC001571056417	960732531	/nfs/dbraw/zinc/73/25/31/960732531.db2.gz	VDKPIIJQXXRZES-QWRGUYRKSA-N	-1	0	295.339	0.954	20	30		CCEDRM
CC[C@H](CNC(=O)N1CC[C@@](O)(CC#N)C1)C(=O)[O-]	ZINC001573798924	960807264	/nfs/dbraw/zinc/80/72/64/960807264.db2.gz	FVXLBBJVIAACQQ-SKDRFNHKSA-N	-1	0	269.301	0.157	20	30		CCEDRM
Cc1cc(NC(=O)N[C@]2(C(=O)[O-])CCOC2)ncc1C#N	ZINC001574338294	960924472	/nfs/dbraw/zinc/92/44/72/960924472.db2.gz	LYMABAWMFPPTSU-CYBMUJFWSA-N	-1	0	290.279	0.627	20	30		CCEDRM
CCC1(CNC(=O)[C@@](C)(C#N)CC(=O)[O-])COC1	ZINC001573828193	960986353	/nfs/dbraw/zinc/98/63/53/960986353.db2.gz	CHXXPRORYQUKTP-LLVKDONJSA-N	-1	0	254.286	0.534	20	30		CCEDRM
CC(C)(CCNC(=O)NC1CCN(CC#N)CC1)C(=O)[O-]	ZINC001588774212	961270167	/nfs/dbraw/zinc/27/01/67/961270167.db2.gz	QKZXWPWOAKLCOV-UHFFFAOYSA-N	-1	0	296.371	0.774	20	30		CCEDRM
Cc1nccnc1[C@@H](C)NC(=O)[C@@](C)(C#N)CC(=O)[O-]	ZINC001574429710	961387444	/nfs/dbraw/zinc/38/74/44/961387444.db2.gz	YCPUAZBZZZRWPF-NOZJJQNGSA-N	-1	0	276.296	0.967	20	30		CCEDRM
N#CCN1CCC[C@H](CNC(=O)[C@H]2CC[C@@H](C(=O)[O-])C2)C1	ZINC001574481054	961669362	/nfs/dbraw/zinc/66/93/62/961669362.db2.gz	TYNODRVUNQSAJY-FRRDWIJNSA-N	-1	0	293.367	0.839	20	30		CCEDRM
N#Cc1ccc(C(=O)N[C@H]2CCC[C@H]2C(=O)[O-])cn1	ZINC001574485433	961675710	/nfs/dbraw/zinc/67/57/10/961675710.db2.gz	GQZMXIFLZLZVIU-MNOVXSKESA-N	-1	0	259.265	0.936	20	30		CCEDRM
N#Cc1ccc(CNC(=O)[C@H]2CC(C(=O)[O-])=NO2)c(F)c1	ZINC001574486007	961682125	/nfs/dbraw/zinc/68/21/25/961682125.db2.gz	OSCAGXDLGAHKLG-LLVKDONJSA-N	-1	0	291.238	0.543	20	30		CCEDRM
N#Cc1cscc1C(=O)N1C[C@H]2COC[C@@]2(C(=O)[O-])C1	ZINC001574492823	961715702	/nfs/dbraw/zinc/71/57/02/961715702.db2.gz	BYUVBANPLRTMJT-ZANVPECISA-N	-1	0	292.316	0.793	20	30		CCEDRM
CC(C)C[C@H](C#N)NC(=O)c1cn(CC(=O)[O-])nn1	ZINC001588845746	961857021	/nfs/dbraw/zinc/85/70/21/961857021.db2.gz	IGEHKMAJIZKKDI-MRVPVSSYSA-N	-1	0	265.273	0.031	20	30		CCEDRM
COC(=O)C1(C#N)CCN(C(=O)[C@H](C)C(=O)[O-])CC1	ZINC001574045504	962101306	/nfs/dbraw/zinc/10/13/06/962101306.db2.gz	DLVFNTIPIKXEDD-QMMMGPOBSA-N	-1	0	268.269	0.012	20	30		CCEDRM
C#CC[C@@H](NC(=O)[C@H](O)c1ccc(C#N)cc1)C(=O)[O-]	ZINC001573302857	962664225	/nfs/dbraw/zinc/66/42/25/962664225.db2.gz	RFXHDTBKDJXUJT-VXGBXAGGSA-N	-1	0	272.260	0.184	20	30		CCEDRM
C#C[C@@H](NC(=O)C(=C)CCC(=O)[O-])[C@H]1CCCO1	ZINC001573302858	962665292	/nfs/dbraw/zinc/66/52/92/962665292.db2.gz	RHEQPKXHKCATKU-GHMZBOCLSA-N	-1	0	251.282	0.704	20	30		CCEDRM
C#CC1(O)CN(C(=O)Nc2cnc(C)c(C(=O)[O-])c2)C1	ZINC001573303400	962675147	/nfs/dbraw/zinc/67/51/47/962675147.db2.gz	XHODYMHYDHJSSX-UHFFFAOYSA-N	-1	0	275.264	0.300	20	30		CCEDRM
COCCN(CCOC)C(=O)[C@](C)(C#N)CC(=O)[O-]	ZINC001574159196	962702337	/nfs/dbraw/zinc/70/23/37/962702337.db2.gz	VKFQTMQXODCHSN-LBPRGKRZSA-N	-1	0	272.301	0.112	20	30		CCEDRM
C[C@H](CC(=O)[O-])NC(=O)[C@@H](O)c1ccc(C#N)cc1	ZINC001588993951	962822234	/nfs/dbraw/zinc/82/22/34/962822234.db2.gz	XRRXLRURECXXIC-PELKAZGASA-N	-1	0	262.265	0.571	20	30		CCEDRM
C=C(CCC(=O)[O-])C(=O)NC[C@@H](CO)Cc1cccnc1	ZINC001573332230	962827764	/nfs/dbraw/zinc/82/77/64/962827764.db2.gz	FSESLXIUVABOCT-ZDUSSCGKSA-N	-1	0	292.335	0.770	20	30		CCEDRM
C=C(CCC(=O)[O-])C(=O)NCCOCC(F)F	ZINC001573332669	962838753	/nfs/dbraw/zinc/83/87/53/962838753.db2.gz	MZOPGEUVNOYQEY-UHFFFAOYSA-N	-1	0	251.229	0.805	20	30		CCEDRM
C=C(Cl)CN(CC)CCNC(=O)[C@@H]1C[C@@H]1C(=O)[O-]	ZINC001573338688	962879475	/nfs/dbraw/zinc/87/94/75/962879475.db2.gz	GBGYKRBWLMYVMO-ZJUUUORDSA-N	-1	0	274.748	0.898	20	30		CCEDRM
C=C(Cl)CN1CCC[C@@H](CNC(=O)CNC(=O)[O-])C1	ZINC001573339343	962889814	/nfs/dbraw/zinc/88/98/14/962889814.db2.gz	QSGHAZBRYJSNIO-JTQLQIEISA-N	-1	0	289.763	0.835	20	30		CCEDRM
C=C1CC(C)(C(=O)NCCN(C)C(=O)[C@H]2C[C@@H]2C(=O)[O-])C1	ZINC001573343380	962903543	/nfs/dbraw/zinc/90/35/43/962903543.db2.gz	DCBJIJMLAAYCDD-QWRGUYRKSA-N	-1	0	294.351	0.638	20	30		CCEDRM
C=C[C@](C)(CC)C(=O)N[C@@H](CC1OCCO1)C(=O)[O-]	ZINC001573346606	962940836	/nfs/dbraw/zinc/94/08/36/962940836.db2.gz	DSEKIKFETWBBHP-TVQRCGJNSA-N	-1	0	271.313	0.921	20	30		CCEDRM
C=C[C@@](C)(CC)C(=O)NC[C@@H]1CCN1C(=O)CNC(=O)[O-]	ZINC001573347520	962948730	/nfs/dbraw/zinc/94/87/30/962948730.db2.gz	LGYOHKREFCGQCV-HZMBPMFUSA-N	-1	0	297.355	0.573	20	30		CCEDRM
C=CCCC(=O)N1CC[C@H](N(C)C(=O)CNC(=O)[O-])C1	ZINC001573353371	963000300	/nfs/dbraw/zinc/00/03/00/963000300.db2.gz	UDCPCGBCSTWADY-JTQLQIEISA-N	-1	0	283.328	0.280	20	30		CCEDRM
Cn1cc(C(=O)[O-])c(NC(=O)c2ccc(C#N)o2)n1	ZINC001570976571	963058193	/nfs/dbraw/zinc/05/81/93/963058193.db2.gz	MESBAXXFLASXPR-UHFFFAOYSA-N	-1	0	260.209	0.835	20	30		CCEDRM
N#Cc1ccnc(Cn2cnc(C(=O)[O-])cc2=O)c1	ZINC001570979815	963080720	/nfs/dbraw/zinc/08/07/20/963080720.db2.gz	WIADWPOXEVODNG-UHFFFAOYSA-N	-1	0	256.221	0.256	20	30		CCEDRM
Cc1nc(C(=O)N2CCC(C#N)(C(=O)[O-])CC2)co1	ZINC001570982265	963095756	/nfs/dbraw/zinc/09/57/56/963095756.db2.gz	PZHPAGZSBOJHAZ-UHFFFAOYSA-N	-1	0	263.253	0.814	20	30		CCEDRM
C=CCOCC(=O)NCc1c(C)nn(CC(=O)[O-])c1C	ZINC001573369410	963096962	/nfs/dbraw/zinc/09/69/62/963096962.db2.gz	SKUOKCMEEIDONO-UHFFFAOYSA-N	-1	0	281.312	0.403	20	30		CCEDRM
N#Cc1ccc(C(=O)NC[C@]2(C(=O)[O-])CCOC2)nc1	ZINC001571001999	963220523	/nfs/dbraw/zinc/22/05/23/963220523.db2.gz	MWIQAOZVTSPRLG-CYBMUJFWSA-N	-1	0	275.264	0.174	20	30		CCEDRM
CC(C)(CNS(=O)(=O)c1ccc(C#N)cn1)C(=O)[O-]	ZINC001571019726	963334808	/nfs/dbraw/zinc/33/48/08/963334808.db2.gz	HBDIIQJZLDSRFW-UHFFFAOYSA-N	-1	0	283.309	0.342	20	30		CCEDRM
C#CCCCC(=O)N1CC[C@H](C(=O)[O-])C[C@@H]1C(=O)OC	ZINC001588435478	964022326	/nfs/dbraw/zinc/02/23/26/964022326.db2.gz	RSPHHTVAMPJEII-WDEREUQCSA-N	-1	0	281.308	0.655	20	30		CCEDRM
C#CCCCCCC(=O)N1C[C@H](C(=O)[O-])[C@@H](C(=O)OC)C1	ZINC001588440570	964040855	/nfs/dbraw/zinc/04/08/55/964040855.db2.gz	ALSPAOQPVVZVNX-RYUDHWBXSA-N	-1	0	295.335	0.902	20	30		CCEDRM
C#CCCCCNC(=O)C(=O)N[C@@H]1CC=C(C(=O)[O-])C1	ZINC001588442699	964059001	/nfs/dbraw/zinc/05/90/01/964059001.db2.gz	VYLLJZPRHVXBFX-LLVKDONJSA-N	-1	0	278.308	0.196	20	30		CCEDRM
C#CCCN(CCOC)CC(=O)N1CCC(C(=O)[O-])CC1	ZINC001588447440	964086947	/nfs/dbraw/zinc/08/69/47/964086947.db2.gz	JVAPPINYFQLNBA-UHFFFAOYSA-N	-1	0	296.367	0.281	20	30		CCEDRM
N#Cc1ccc(F)c(CN2CCOC[C@@H]2C(=O)[O-])c1	ZINC000088380269	967585105	/nfs/dbraw/zinc/58/51/05/967585105.db2.gz	KWFCNIODFAZEPP-GFCCVEGCSA-N	-1	0	264.256	0.983	20	30		CCEDRM
C#CCN(CC(=O)[O-])C(=O)c1cccc(OC)c1OC	ZINC000092477005	967593989	/nfs/dbraw/zinc/59/39/89/967593989.db2.gz	RYXQHPVNZGKVFS-UHFFFAOYSA-N	-1	0	277.276	0.864	20	30		CCEDRM
C#CCN(CC(=O)[O-])C(=O)[C@@H](C)Oc1ccccc1C#N	ZINC000092477971	967595801	/nfs/dbraw/zinc/59/58/01/967595801.db2.gz	HGKZTQCRJMYBKZ-LLVKDONJSA-N	-1	0	286.287	0.872	20	30		CCEDRM
C#CCN(CC(=O)[O-])C(=O)NCCc1csc(C)n1	ZINC000226305975	967703153	/nfs/dbraw/zinc/70/31/53/967703153.db2.gz	AIKIODVXUKKXEC-UHFFFAOYSA-N	-1	0	281.337	0.723	20	30		CCEDRM
C#CCN(CC(=O)[O-])C(=O)N[C@@H]1CCOC[C@H]1C	ZINC000302359406	967913965	/nfs/dbraw/zinc/91/39/65/967913965.db2.gz	KVCQMGHJOFDTGP-NXEZZACHSA-N	-1	0	254.286	0.141	20	30		CCEDRM
C#C[C@H](NC(=O)N[C@H](C)CC(=O)[O-])[C@@H]1CCCO1	ZINC001609623776	970422463	/nfs/dbraw/zinc/42/24/63/970422463.db2.gz	BESDMVJTMNBSTN-UTLUCORTSA-N	-1	0	254.286	0.330	20	30		CCEDRM
Cc1c(C(=O)N2CCC[C@H]2C(=O)[O-])cnn1CCC#N	ZINC001599976792	970745099	/nfs/dbraw/zinc/74/50/99/970745099.db2.gz	MBXNJEKGNVLIEK-NSHDSACASA-N	-1	0	276.296	0.794	20	30		CCEDRM
CO[C@H](C(=O)[O-])C(=O)N1CC(Nc2cccc(C#N)c2)C1	ZINC001604420056	973176887	/nfs/dbraw/zinc/17/68/87/973176887.db2.gz	HKXHUKUHHIKSQE-LBPRGKRZSA-N	-1	0	289.291	0.281	20	30		CCEDRM
N#Cc1ccc(C(=O)N2C[C@H](O)C[C@@H](C(=O)[O-])C2)cc1	ZINC000401869901	973471194	/nfs/dbraw/zinc/47/11/94/973471194.db2.gz	HTKGFZRHIXUTNP-VXGBXAGGSA-N	-1	0	274.276	0.466	20	30		CCEDRM
Cc1nnc2n1CCN(C(=O)[C@@](C)(C#N)CC(=O)[O-])[C@H]2C	ZINC001605444454	973507780	/nfs/dbraw/zinc/50/77/80/973507780.db2.gz	IICCZVQOXFEJHM-ISVAXAHUSA-N	-1	0	291.311	0.494	20	30		CCEDRM
O=C([O-])COCCOCCNC(=O)C#Cc1cccs1	ZINC001606279136	973663756	/nfs/dbraw/zinc/66/37/56/973663756.db2.gz	STNOCLHJIJETMZ-UHFFFAOYSA-N	-1	0	297.332	0.334	20	30		CCEDRM
Cn1nc(C(=O)[O-])cc1C(=O)NCc1cncc(C#N)c1	ZINC001605538595	973728146	/nfs/dbraw/zinc/72/81/46/973728146.db2.gz	BHHSSCOFTDKMMV-UHFFFAOYSA-N	-1	0	285.263	0.315	20	30		CCEDRM
N#CCCCCNC(=O)[C@@H]1CCCN(CC(=O)[O-])C1=O	ZINC001605582179	973864189	/nfs/dbraw/zinc/86/41/89/973864189.db2.gz	UVLHAZDRLKMJEM-JTQLQIEISA-N	-1	0	281.312	0.120	20	30		CCEDRM
N#CC1(OCCOC(=O)[C@H](C(=O)[O-])C2CC2)CCOCC1	ZINC001605583595	973874583	/nfs/dbraw/zinc/87/45/83/973874583.db2.gz	XCTSXGFSJSVSMR-NSHDSACASA-N	-1	0	297.307	0.730	20	30		CCEDRM
N#CCN1CCC[C@@H](CNC(=O)C2(C(=O)[O-])CCC2)C1	ZINC001605585536	973876099	/nfs/dbraw/zinc/87/60/99/973876099.db2.gz	DQOAPXKPZZPEFI-NSHDSACASA-N	-1	0	279.340	0.593	20	30		CCEDRM
N#Cc1cc(NCCC(=O)[O-])cc(N)c1[N+](=O)[O-]	ZINC001605597438	973899569	/nfs/dbraw/zinc/89/95/69/973899569.db2.gz	QKFISHUJYAFJTR-UHFFFAOYSA-N	-1	0	250.214	0.935	20	30		CCEDRM
N#Cc1ccc(NCCNC(=O)C2(C(=O)[O-])CC2)nc1	ZINC001605612901	973929578	/nfs/dbraw/zinc/92/95/78/973929578.db2.gz	SBNVVEQYLQVYRS-UHFFFAOYSA-N	-1	0	274.280	0.346	20	30		CCEDRM
COc1ccc(CCNC(=O)[C@](C)(C#N)CC(=O)[O-])cn1	ZINC001604781903	974013215	/nfs/dbraw/zinc/01/32/15/974013215.db2.gz	NCOAVTLWKYUNEI-AWEZNQCLSA-N	-1	0	291.307	0.753	20	30		CCEDRM
CCN(CCC#N)C(=O)CN(CC)[C@@H](C)C(=O)[O-]	ZINC001603736396	974174427	/nfs/dbraw/zinc/17/44/27/974174427.db2.gz	CSNUNPZSGYQQLV-JTQLQIEISA-N	-1	0	255.318	0.544	20	30		CCEDRM
CCn1nncc1CN=Nc1ncccc1C(=O)[O-]	ZINC001604024140	974540475	/nfs/dbraw/zinc/54/04/75/974540475.db2.gz	MNJWJPWTNHIAOA-UHFFFAOYSA-N	-1	0	260.257	0.837	20	30		CCEDRM
CC(C)[C@@H](C#N)NS(=O)(=O)c1scnc1C(=O)[O-]	ZINC001591831645	976100910	/nfs/dbraw/zinc/10/09/10/976100910.db2.gz	UCAJZRZIHOHEAH-ZCFIWIBFSA-N	-1	0	289.338	0.668	20	30		CCEDRM
C[C@@H](/C=C\C(=O)[O-])NS(=O)(=O)c1cncc(C#N)c1	ZINC001592211776	977264334	/nfs/dbraw/zinc/26/43/34/977264334.db2.gz	MWGASXXLDIDORV-KZUAUGPASA-N	-1	0	281.293	0.261	20	30		CCEDRM
C[C@@H](CNc1ccc(C(=O)[O-])nc1C#N)S(C)(=O)=O	ZINC001592730427	979248382	/nfs/dbraw/zinc/24/83/82/979248382.db2.gz	UPOPZVQWIYPRCN-ZETCQYMHSA-N	-1	0	283.309	0.496	20	30		CCEDRM
C[C@H](C#N)N(C1CC1)S(=O)(=O)C[C@@H](C)C(=O)[O-]	ZINC001592788587	979428917	/nfs/dbraw/zinc/42/89/17/979428917.db2.gz	SLXOPBLFNRXSER-HTQZYQBOSA-N	-1	0	260.315	0.413	20	30		CCEDRM
C[C@@H](CS(=O)(=O)NCCc1ccc(C#N)cc1)C(=O)[O-]	ZINC001592809400	979488932	/nfs/dbraw/zinc/48/89/32/979488932.db2.gz	QKEWRDCNMSQXCZ-JTQLQIEISA-N	-1	0	296.348	0.741	20	30		CCEDRM
C[C@H](Cc1ccc(C#N)cc1)C(=O)NC[C@](C)(O)C(=O)[O-]	ZINC001592834859	979580247	/nfs/dbraw/zinc/58/02/47/979580247.db2.gz	YUTVAOJCMULOEI-BMIGLBTASA-N	-1	0	290.319	0.689	20	30		CCEDRM
C[C@H](Cc1c[nH]cn1)C(=O)N1CCC(C#N)(C(=O)[O-])CC1	ZINC001592905996	979840315	/nfs/dbraw/zinc/84/03/15/979840315.db2.gz	AOZGWGPUVISWIC-SNVBAGLBSA-N	-1	0	290.323	0.805	20	30		CCEDRM
CC[C@H](O)[C@H](C)C(=O)N1CCC(C#N)(C(=O)[O-])CC1	ZINC001595327886	980552139	/nfs/dbraw/zinc/55/21/39/980552139.db2.gz	YNWGMUZIXGDEEM-UWVGGRQHSA-N	-1	0	268.313	0.610	20	30		CCEDRM
CCC[C@H](O)Cn1cc(C(=O)[O-])cc(C#N)c1=O	ZINC001595606954	981595053	/nfs/dbraw/zinc/59/50/53/981595053.db2.gz	GDGPMSMVICOVRS-JTQLQIEISA-N	-1	0	250.254	0.579	20	30		CCEDRM
CC[C@@](C)(C#N)C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)[O-]	ZINC001594778607	981779531	/nfs/dbraw/zinc/77/95/31/981779531.db2.gz	WTDVXHKOEZRKSR-UBJUHAIHSA-N	-1	0	269.301	0.020	20	30		CCEDRM
C#C[C@@](C)(CC)NC(=O)[C@H]1C[C@@H](C)[C@H](C(=O)[O-])O1	ZINC001588366909	983295730	/nfs/dbraw/zinc/29/57/30/983295730.db2.gz	AZXUALXLTGSQHO-PRFIWBCESA-N	-1	0	253.298	0.783	20	30		CCEDRM
C#C[C@@H](C)NS(=O)(=O)Cc1ccccc1C(=O)[O-]	ZINC001588367935	983303024	/nfs/dbraw/zinc/30/30/24/983303024.db2.gz	DFZUNKYKEXJOPX-SECBINFHSA-N	-1	0	267.306	0.826	20	30		CCEDRM
C#C[C@H](C)N(C)C(=O)N[C@H]1C[C@@H]2C[C@]2(C(=O)[O-])C1	ZINC001588368173	983303675	/nfs/dbraw/zinc/30/36/75/983303675.db2.gz	HOWDKYPRRISFTI-WJZNIJOASA-N	-1	0	250.298	0.903	20	30		CCEDRM
C#C[C@H](CO)NC(=O)Nc1cccc(C(=O)[O-])c1C	ZINC001588370877	983322744	/nfs/dbraw/zinc/32/27/44/983322744.db2.gz	PLSGYOBMKGBQII-SECBINFHSA-N	-1	0	262.265	0.809	20	30		CCEDRM
C#C[C@@H](NCc1cc(C(=O)[O-])no1)[C@H]1CCCO1	ZINC001588377081	983355026	/nfs/dbraw/zinc/35/50/26/983355026.db2.gz	IUYFXFXFUBSUDF-MWLCHTKSSA-N	-1	0	250.254	0.643	20	30		CCEDRM
C#CC1(O)CN(C(=O)N[C@H]2CC[C@@H](CC(=O)[O-])C2)C1	ZINC001588379308	983363678	/nfs/dbraw/zinc/36/36/78/983363678.db2.gz	CQKSSMHNNJXFPL-ZJUUUORDSA-N	-1	0	266.297	0.019	20	30		CCEDRM
C#CC1(O)CCN(C(=O)Cc2ccc(C(=O)[O-])nc2)CC1	ZINC001588379467	983364172	/nfs/dbraw/zinc/36/41/72/983364172.db2.gz	ITIBKGOMUFHANK-UHFFFAOYSA-N	-1	0	288.303	0.309	20	30		CCEDRM
C#CC1(O)CCN(c2ccc(C(=O)[O-])nc2C#N)CC1	ZINC001588380055	983366977	/nfs/dbraw/zinc/36/69/77/983366977.db2.gz	ZTYOUJNPANFKRQ-UHFFFAOYSA-N	-1	0	271.276	0.616	20	30		CCEDRM
C#C[C@@H]1COCCN1S(=O)(=O)CCCCCC(=O)[O-]	ZINC001588383480	983381460	/nfs/dbraw/zinc/38/14/60/983381460.db2.gz	AXBCLERLIOEKCG-LLVKDONJSA-N	-1	0	289.353	0.295	20	30		CCEDRM
C#CCC(C)(C)C(=O)N1CCN(CC(=O)[O-])CC1	ZINC001588383641	983383129	/nfs/dbraw/zinc/38/31/29/983383129.db2.gz	GNTHSWHYUIVZRE-UHFFFAOYSA-N	-1	0	252.314	0.265	20	30		CCEDRM
C#CC[C@@H](COC)NC(=O)N1CCC2(C[C@@H]2C(=O)[O-])CC1	ZINC001588393075	983396340	/nfs/dbraw/zinc/39/63/40/983396340.db2.gz	AUSKBNCSMSBVNY-NWDGAFQWSA-N	-1	0	294.351	0.921	20	30		CCEDRM
C#CC[C@@H](COC)NC(=O)Nc1cc(C(=O)[O-])ccn1	ZINC001588394512	983402983	/nfs/dbraw/zinc/40/29/83/983402983.db2.gz	LZMRDWDGDHNBNX-JTQLQIEISA-N	-1	0	277.280	0.940	20	30		CCEDRM
C#CC[C@H](NC(=O)C(C)(C)C(=O)OCC)C(=O)[O-]	ZINC001588394689	983403306	/nfs/dbraw/zinc/40/33/06/983403306.db2.gz	NJUSDGRQXKKJJR-QMMMGPOBSA-N	-1	0	255.270	0.168	20	30		CCEDRM
C#CC[C@H](CCOC)NC(=O)[C@H]1C[C@@H](C(=O)[O-])C1	ZINC001588395187	983404838	/nfs/dbraw/zinc/40/48/38/983404838.db2.gz	QUBCCGLEESMTLR-OUAUKWLOSA-N	-1	0	253.298	0.642	20	30		CCEDRM
C#CC[C@H](COC)N1C(=O)[C@H]2C[C@@H](C(=O)[O-])CCN2C1=O	ZINC001588395337	983405435	/nfs/dbraw/zinc/40/54/35/983405435.db2.gz	SKDAVTWKOBQJOC-HBNTYKKESA-N	-1	0	294.307	0.152	20	30		CCEDRM
C#CC[C@@H](CCOC)NC(=O)c1c[nH]c(C(=O)[O-])c1	ZINC001588395854	983406793	/nfs/dbraw/zinc/40/67/93/983406793.db2.gz	VAHZFSAZPMXZCZ-JTQLQIEISA-N	-1	0	264.281	0.871	20	30		CCEDRM
C#CC[C@H](CCOC)NC(=O)c1ccnc(C(=O)[O-])c1	ZINC001588396394	983408369	/nfs/dbraw/zinc/40/83/69/983408369.db2.gz	WDLFQFGNQLWDHT-LLVKDONJSA-N	-1	0	276.292	0.938	20	30		CCEDRM
C#CC[C@H](CCOC)NC(=O)CCSCC(=O)[O-]	ZINC001588396557	983408844	/nfs/dbraw/zinc/40/88/44/983408844.db2.gz	XPJPLWXQCDKSBE-SNVBAGLBSA-N	-1	0	273.354	0.739	20	30		CCEDRM
C#CC[C@H](NC(=O)C1=C[S@](=O)CCC1)C(=O)[O-]	ZINC001588399524	983415787	/nfs/dbraw/zinc/41/57/87/983415787.db2.gz	VJEWNPHDPLMFKF-HUTHGQBESA-N	-1	0	255.295	0.006	20	30		CCEDRM
C#CC[C@@H](NC(=O)c1cccnc1-n1cccn1)C(=O)[O-]	ZINC001588416241	983436484	/nfs/dbraw/zinc/43/64/84/983436484.db2.gz	LFLFZUKPSIFGDG-LLVKDONJSA-N	-1	0	284.275	0.474	20	30		CCEDRM
C#CC[C@H](NC(=O)c1cccc2c1CC(=O)CC2)C(=O)[O-]	ZINC001588416300	983436751	/nfs/dbraw/zinc/43/67/51/983436751.db2.gz	MHKVFIYRJGMMKZ-AWEZNQCLSA-N	-1	0	285.299	0.951	20	30		CCEDRM
C#CC[C@@H](NCc1cc(C(=O)OC)c(C)o1)C(=O)[O-]	ZINC001588422485	983446842	/nfs/dbraw/zinc/44/68/42/983446842.db2.gz	KLZYISKIVIABPY-LLVKDONJSA-N	-1	0	265.265	0.941	20	30		CCEDRM
C#CC[C@H](NS(=O)(=O)CC1CC(F)(F)C1)C(=O)[O-]	ZINC001588423529	983452987	/nfs/dbraw/zinc/45/29/87/983452987.db2.gz	KDOHATNXCQYCQI-QMMMGPOBSA-N	-1	0	281.280	0.428	20	30		CCEDRM
C#CC[C@@H](NS(=O)(=O)c1ccc(C(F)F)o1)C(=O)[O-]	ZINC001588423771	983454150	/nfs/dbraw/zinc/45/41/50/983454150.db2.gz	OZSMZUMUKQLNJW-ZCFIWIBFSA-N	-1	0	293.247	0.972	20	30		CCEDRM
C#CC[C@@H]1CCCN(C(=O)C(=O)NCCCCC(=O)[O-])C1	ZINC001588431879	983465828	/nfs/dbraw/zinc/46/58/28/983465828.db2.gz	POYZRGKRBHBLIC-GFCCVEGCSA-N	-1	0	294.351	0.619	20	30		CCEDRM
C#CC[C@H]1CCN(C(=O)NC[C@H]2C[C@H]2C(=O)[O-])C1	ZINC001588433525	983468162	/nfs/dbraw/zinc/46/81/62/983468162.db2.gz	AGYWACUPSZJRRD-HBNTYKKESA-N	-1	0	250.298	0.762	20	30		CCEDRM
C#CC[C@H]1NC(=O)N([C@@H](C)c2ncc(C(=O)[O-])s2)C1=O	ZINC001588433646	983468227	/nfs/dbraw/zinc/46/82/27/983468227.db2.gz	BLEKCNUUYWXDIK-NKWVEPMBSA-N	-1	0	293.304	0.846	20	30		CCEDRM
C#CCCn1nnnc1N1Cc2ccc(C(=O)[O-])cc2C1	ZINC001588459092	983484569	/nfs/dbraw/zinc/48/45/69/983484569.db2.gz	YLIUJHRERWSUAR-UHFFFAOYSA-N	-1	0	283.291	0.915	20	30		CCEDRM
C#CCN(C(=O)[C@@H]1C[C@@H]1C(=O)[O-])C1CCN(CCF)CC1	ZINC001588459600	983484928	/nfs/dbraw/zinc/48/49/28/983484928.db2.gz	DMVNRCKVQKQDOV-OLZOCXBDSA-N	-1	0	296.342	0.603	20	30		CCEDRM
CCN(C(=O)Cn1cc(C(=O)[O-])cn1)[C@H](C)C#N	ZINC001596148186	983504372	/nfs/dbraw/zinc/50/43/72/983504372.db2.gz	ULUVNOZUAGQJDH-MRVPVSSYSA-N	-1	0	250.258	0.342	20	30		CCEDRM
C#CCN1CCC[C@@H](NC(=O)NCCCCC(=O)[O-])C1	ZINC001588476603	983511752	/nfs/dbraw/zinc/51/17/52/983511752.db2.gz	OTWDBOQVVPIJMI-GFCCVEGCSA-N	-1	0	281.356	0.638	20	30		CCEDRM
C#CCNC(=O)[C@@H](C)OC(=O)/C=C\c1ccc(C(=O)[O-])o1	ZINC001588479398	983519352	/nfs/dbraw/zinc/51/93/52/983519352.db2.gz	MLEMDPYVCMIZNC-WILPJHFFSA-N	-1	0	291.259	0.672	20	30		CCEDRM
C#CCNS(=O)(=O)c1cc(C(=O)[O-])cc(C)c1F	ZINC001588486002	983526406	/nfs/dbraw/zinc/52/64/06/983526406.db2.gz	GQSDJXAHRSPASU-UHFFFAOYSA-N	-1	0	271.269	0.744	20	30		CCEDRM
C#CCO[C@@H](C)C(=O)N(C)[C@H](COC(C)C)C(=O)[O-]	ZINC001588490044	983530425	/nfs/dbraw/zinc/53/04/25/983530425.db2.gz	FXBYKLZSXXTVQK-WDEREUQCSA-N	-1	0	271.313	0.361	20	30		CCEDRM
C#CCO[C@H](C)C(=O)N(C)[C@H](COC(C)C)C(=O)[O-]	ZINC001588490038	983530432	/nfs/dbraw/zinc/53/04/32/983530432.db2.gz	FXBYKLZSXXTVQK-GHMZBOCLSA-N	-1	0	271.313	0.361	20	30		CCEDRM
C#CCO[C@@H](C)C(=O)Nc1cc(C(=O)[O-])nn1C	ZINC001588490391	983532043	/nfs/dbraw/zinc/53/20/43/983532043.db2.gz	MCPNUGAGLYMEMM-ZETCQYMHSA-N	-1	0	251.242	0.095	20	30		CCEDRM
C#CCO[C@@H](C)C(=O)N[C@H]1C[C@@H]2C[C@]2(C(=O)[O-])C1	ZINC001588490434	983532449	/nfs/dbraw/zinc/53/24/49/983532449.db2.gz	MRTLYXPMFOTLDP-WJZNIJOASA-N	-1	0	251.282	0.394	20	30		CCEDRM
C#CCOCCNC(=O)c1c(C)[nH]c(C(=O)[O-])c1C	ZINC001588491862	983537909	/nfs/dbraw/zinc/53/79/09/983537909.db2.gz	YPJOFSMVJWUVHQ-UHFFFAOYSA-N	-1	0	264.281	0.709	20	30		CCEDRM
C#Cc1ccc(C(=O)N[C@H](CCOC)C(=O)[O-])nc1	ZINC001588511161	983558758	/nfs/dbraw/zinc/55/87/58/983558758.db2.gz	SQTCEDGTOBOTPL-LLVKDONJSA-N	-1	0	262.265	0.282	20	30		CCEDRM
C#Cc1cncc(C(=O)N2C[C@@H](C)[C@H](C(=O)[O-])C2)c1	ZINC001588529328	983581092	/nfs/dbraw/zinc/58/10/92/983581092.db2.gz	XKRUWPDETZKDBW-BXKDBHETSA-N	-1	0	258.277	0.856	20	30		CCEDRM
C=C(C)C(C)(C)C(=O)N(C)CCNC(=O)[C@H]1C[C@H]1C(=O)[O-]	ZINC001588529981	983583164	/nfs/dbraw/zinc/58/31/64/983583164.db2.gz	OFJQQNNKTZTCNG-WDEREUQCSA-N	-1	0	296.367	0.884	20	30		CCEDRM
C=C(C)C[C@@H](NC(=O)[C@H]1CCCC(=O)N1C)C(=O)[O-]	ZINC001588537126	983597529	/nfs/dbraw/zinc/59/75/29/983597529.db2.gz	IVUUTCURTDKUOT-NXEZZACHSA-N	-1	0	268.313	0.533	20	30		CCEDRM
C=C(C)C[C@@H](CO)NS(=O)(=O)c1cc(C(=O)[O-])co1	ZINC001588537383	983599286	/nfs/dbraw/zinc/59/92/86/983599286.db2.gz	OHODLJWGXWDHGH-VIFPVBQESA-N	-1	0	289.309	0.583	20	30		CCEDRM
C=C(C)C[C@H](NC(=O)C[C@H]1CCOC[C@H]1OC)C(=O)[O-]	ZINC001588540932	983606011	/nfs/dbraw/zinc/60/60/11/983606011.db2.gz	PGONOYRQDHFLKB-GRYCIOLGSA-N	-1	0	285.340	0.964	20	30		CCEDRM
C=C(C)C[C@H](NC(=O)CCN1C(=O)CCC1=O)C(=O)[O-]	ZINC001588541434	983607688	/nfs/dbraw/zinc/60/76/88/983607688.db2.gz	ZEPNSEMJLWKEPZ-VIFPVBQESA-N	-1	0	282.296	0.061	20	30		CCEDRM
C=C(C)C[C@H](NC(=O)CS(=O)(=O)C1CC1)C(=O)[O-]	ZINC001588542690	983609267	/nfs/dbraw/zinc/60/92/67/983609267.db2.gz	OFCSRPFADKOGLG-VIFPVBQESA-N	-1	0	275.326	0.099	20	30		CCEDRM
C=C(C)C[C@@H](NC(=O)c1cnc2nccn2c1)C(=O)[O-]	ZINC001588547424	983619835	/nfs/dbraw/zinc/61/98/35/983619835.db2.gz	BMEWQMAUVHJKHT-SNVBAGLBSA-N	-1	0	274.280	0.879	20	30		CCEDRM
C=C(C)C[C@H](NC(C)=O)C(=O)Nc1nc(C(=O)[O-])ns1	ZINC001588547878	983621853	/nfs/dbraw/zinc/62/18/53/983621853.db2.gz	OPRPRZGFCDFZPE-ZETCQYMHSA-N	-1	0	298.324	0.646	20	30		CCEDRM
CCN(C[C@@H](C)C#N)C(=O)CN1CCC[C@H](C(=O)[O-])C1=O	ZINC001596229969	983623008	/nfs/dbraw/zinc/62/30/08/983623008.db2.gz	OVFDQOFNCVYVGN-QWRGUYRKSA-N	-1	0	295.339	0.318	20	30		CCEDRM
CCN(C[C@@H](C)C#N)C(=O)c1cc(C(=O)[O-])nn1C	ZINC001596231949	983627776	/nfs/dbraw/zinc/62/77/76/983627776.db2.gz	ZCCMEPXDZNTQTK-QMMMGPOBSA-N	-1	0	264.285	0.740	20	30		CCEDRM
C=C(C)C[C@H](NS(=O)(=O)CCC(=O)OCC)C(=O)[O-]	ZINC001588553871	983628861	/nfs/dbraw/zinc/62/88/61/983628861.db2.gz	UQFRXKOUBKAVPC-VIFPVBQESA-N	-1	0	293.341	0.278	20	30		CCEDRM
C=C(C)CCC(=O)OCCn1cc(C(=O)[O-])nn1	ZINC001588559085	983639500	/nfs/dbraw/zinc/63/95/00/983639500.db2.gz	IOKJHDDKYJQWHT-UHFFFAOYSA-N	-1	0	253.258	0.876	20	30		CCEDRM
C=C(C)CN(C)C(=O)C(=O)N1CCC[C@H]1CC(=O)[O-]	ZINC001588561663	983642868	/nfs/dbraw/zinc/64/28/68/983642868.db2.gz	UDHSKAKAXCQFCJ-JTQLQIEISA-N	-1	0	268.313	0.487	20	30		CCEDRM
C=C(C)CS(=O)(=O)N1CCC([C@H](O)C(=O)[O-])CC1	ZINC001588576861	983654550	/nfs/dbraw/zinc/65/45/50/983654550.db2.gz	CZALXJDMMDMZRI-JTQLQIEISA-N	-1	0	277.342	0.050	20	30		CCEDRM
C=C(CC)C(=O)N1CCN([C@@]2(C(=O)[O-])CCOC2)CC1	ZINC001588605560	983693503	/nfs/dbraw/zinc/69/35/03/983693503.db2.gz	GRRQXRAMAWQNCL-AWEZNQCLSA-N	-1	0	282.340	0.341	20	30		CCEDRM
C=C(CCC(=O)[O-])C(=O)N1CC[C@H](CC(N)=O)C1	ZINC001588614342	983707318	/nfs/dbraw/zinc/70/73/18/983707318.db2.gz	QYRONKHZYWPYTJ-SECBINFHSA-N	-1	0	254.286	0.131	20	30		CCEDRM
C=C(CCC(=O)[O-])C(=O)N1CCN2CC(F)(F)C[C@H]2C1	ZINC001588614740	983708567	/nfs/dbraw/zinc/70/85/67/983708567.db2.gz	ATWSYEKAJBOZOB-JTQLQIEISA-N	-1	0	288.294	0.959	20	30		CCEDRM
C=C(CCC(=O)[O-])C(=O)N1CCN(C(=O)C2CC2)CC1	ZINC001588615151	983710219	/nfs/dbraw/zinc/71/02/19/983710219.db2.gz	LNOFFMNZIYZONZ-UHFFFAOYSA-N	-1	0	280.324	0.488	20	30		CCEDRM
C=C(CCC(=O)[O-])C(=O)N1CCO[C@@H](CC(=O)OC)C1	ZINC001588615337	983711491	/nfs/dbraw/zinc/71/14/91/983711491.db2.gz	QVBAAXQYXWSJNP-JTQLQIEISA-N	-1	0	285.296	0.198	20	30		CCEDRM
C=C(CCC(=O)[O-])C(=O)N[C@@](C)(C(=O)OC)C1CC1	ZINC001588618894	983713906	/nfs/dbraw/zinc/71/39/06/983713906.db2.gz	DQNGVGUZDBFCPT-CYBMUJFWSA-N	-1	0	269.297	0.865	20	30		CCEDRM
C=C(CCC(=O)[O-])C(=O)N[C@@H]1CCCC12OCCO2	ZINC001588621384	983718856	/nfs/dbraw/zinc/71/88/56/983718856.db2.gz	CJCJROMIDOCZQC-SNVBAGLBSA-N	-1	0	269.297	0.819	20	30		CCEDRM
C=C(CCC(=O)[O-])C(=O)NC1(CCO)CCOCC1	ZINC001588621770	983720641	/nfs/dbraw/zinc/72/06/41/983720641.db2.gz	JNIPDQKVNGRYHQ-UHFFFAOYSA-N	-1	0	271.313	0.455	20	30		CCEDRM
CCN(CCC#N)C(=O)C[N@@H+]1CCSC[C@@H](C(=O)[O-])C1	ZINC001596299485	983724362	/nfs/dbraw/zinc/72/43/62/983724362.db2.gz	KDQYPFRCRYZROJ-NSHDSACASA-N	-1	0	299.396	0.498	20	30		CCEDRM
CCN(CCC#N)C(=O)[C@H]1C[C@@H](C)[C@H](C(=O)[O-])O1	ZINC001596299715	983725851	/nfs/dbraw/zinc/72/58/51/983725851.db2.gz	XDYTZMOBPMFPBO-OPRDCNLKSA-N	-1	0	254.286	0.627	20	30		CCEDRM
CCN(CCC(=O)NC)c1ccc(C(=O)[O-])nc1C#N	ZINC001596300092	983727956	/nfs/dbraw/zinc/72/79/56/983727956.db2.gz	MJKMJOZWBKNSKA-UHFFFAOYSA-N	-1	0	276.296	0.614	20	30		CCEDRM
C=C(CCC(=O)[O-])C(=O)N[C@H]1Cc2cccnc2NC1=O	ZINC001588623452	983728053	/nfs/dbraw/zinc/72/80/53/983728053.db2.gz	QMGGLSAABOBTOR-JTQLQIEISA-N	-1	0	289.291	0.482	20	30		CCEDRM
C=C(CCC(=O)[O-])C(=O)NCCNc1cc(C)nn1C	ZINC001588624751	983735038	/nfs/dbraw/zinc/73/50/38/983735038.db2.gz	VNYOQEYCZRKITF-UHFFFAOYSA-N	-1	0	280.328	0.678	20	30		CCEDRM
C=C[C@H](C(=O)[O-])[N@H+]1C[C@H](C)O[C@]2(CCO[C@H]2C)C1	ZINC001588663959	983797893	/nfs/dbraw/zinc/79/78/93/983797893.db2.gz	MIHVHFUBTNGGOI-MEWQQHAOSA-N	-1	0	255.314	0.894	20	30		CCEDRM
C=C[C@H](C)ON1C(=O)[C@H]2C[C@H](C(=O)[O-])CCN2C1=O	ZINC001588687416	983870473	/nfs/dbraw/zinc/87/04/73/983870473.db2.gz	OITUIMVPBUKKGM-DJLDLDEBSA-N	-1	0	268.269	0.620	20	30		CCEDRM
C=C[C@H](C)NC(=O)N1CC[C@H](n2cc(C(=O)[O-])nn2)C1	ZINC001588687512	983871201	/nfs/dbraw/zinc/87/12/01/983871201.db2.gz	OPBXDNPXCAQPJS-IUCAKERBSA-N	-1	0	279.300	0.507	20	30		CCEDRM
C=C[C@@H](C)ONC(=O)CCCn1ccc(C(=O)[O-])n1	ZINC001588687762	983872349	/nfs/dbraw/zinc/87/23/49/983872349.db2.gz	RXRBJXKWZIXWAF-SECBINFHSA-N	-1	0	267.285	0.984	20	30		CCEDRM
C=C[C@H](OC(=O)[C@H](OCC)[C@H]1CCOC1)C(=O)[O-]	ZINC001588705128	983926160	/nfs/dbraw/zinc/92/61/60/983926160.db2.gz	KALARPOUGZUNCX-LPEHRKFASA-N	-1	0	258.270	0.610	20	30		CCEDRM
C=C[C@H](OC(=O)Cc1nc(C2CC2)nn1C)C(=O)[O-]	ZINC001588710955	983935006	/nfs/dbraw/zinc/93/50/06/983935006.db2.gz	KMXRGWDNGLBANB-QMMMGPOBSA-N	-1	0	265.269	0.417	20	30		CCEDRM
C=C[C@H](OC(=O)[C@@H]1CC12CCS(=O)(=O)CC2)C(=O)[O-]	ZINC001588711776	983940061	/nfs/dbraw/zinc/94/00/61/983940061.db2.gz	RDWWQJACYHIBKF-IUCAKERBSA-N	-1	0	288.321	0.384	20	30		CCEDRM
C=C[C@@H](OC(=O)COCc1nnc(C)s1)C(=O)[O-]	ZINC001588712518	983944781	/nfs/dbraw/zinc/94/47/81/983944781.db2.gz	WSOWUVCVSIWZAD-SSDOTTSWSA-N	-1	0	272.282	0.546	20	30		CCEDRM
C=CC[C@H](C(=O)[O-])N1CCO[C@H]([C@H]2CCCO2)C1	ZINC001588730975	984002993	/nfs/dbraw/zinc/00/29/93/984002993.db2.gz	AIWAFMJRRBEKDS-UTUOFQBUSA-N	-1	0	255.314	0.896	20	30		CCEDRM
C=CCC(C)(C)C(=O)O[C@H](C)C(=O)NCC(=O)[O-]	ZINC001588736833	984027486	/nfs/dbraw/zinc/02/74/86/984027486.db2.gz	WIUYTEMTBTZCML-MRVPVSSYSA-N	-1	0	257.286	0.721	20	30		CCEDRM
C=CC[C@H](OC(=O)CN(C)C(=O)C1CC1)C(=O)[O-]	ZINC001588753852	984089448	/nfs/dbraw/zinc/08/94/48/984089448.db2.gz	OPTSJACEBLGXFE-VIFPVBQESA-N	-1	0	255.270	0.427	20	30		CCEDRM
C=CC[C@@H](OC(=O)c1c[nH]c(C(=O)[O-])c1)C(=O)OC	ZINC001588756579	984098580	/nfs/dbraw/zinc/09/85/80/984098580.db2.gz	LXDHZFBNEDDOFF-SECBINFHSA-N	-1	0	267.237	0.987	20	30		CCEDRM
C=CCCC(=O)NCC[C@@H](C)Nc1ccnc(C(=O)[O-])n1	ZINC001588773632	984148407	/nfs/dbraw/zinc/14/84/07/984148407.db2.gz	BXWBIDRFACQXHN-SNVBAGLBSA-N	-1	0	292.339	0.870	20	30		CCEDRM
C=CCCC(=O)N(CC)CCNc1ccnc(C(=O)[O-])n1	ZINC001588774128	984151433	/nfs/dbraw/zinc/15/14/33/984151433.db2.gz	UHVKOCBGGPJIHM-UHFFFAOYSA-N	-1	0	292.339	0.823	20	30		CCEDRM
C=CCC[C@H](CO)NC(=O)c1cc(C(=O)[O-])no1	ZINC001588777966	984158268	/nfs/dbraw/zinc/15/82/68/984158268.db2.gz	OAZKLAIJBFPWTF-SSDOTTSWSA-N	-1	0	254.242	0.430	20	30		CCEDRM
C=CCC[C@@H](CO)NS(=O)(=O)CC1(CC(=O)[O-])CC1	ZINC001588777866	984158301	/nfs/dbraw/zinc/15/83/01/984158301.db2.gz	NQTOZOKPQQFKMD-JTQLQIEISA-N	-1	0	291.369	0.488	20	30		CCEDRM
C=CCC[C@H](CO)NC(=O)NCc1ncc(C(=O)[O-])s1	ZINC001588778112	984159407	/nfs/dbraw/zinc/15/94/07/984159407.db2.gz	SVCJXNLRPVZCKZ-MRVPVSSYSA-N	-1	0	299.352	0.968	20	30		CCEDRM
C=CCC[C@H](NC(=O)[C@H]1CC[C@@H](C(=O)[O-])O1)C(=O)OCC	ZINC001588778450	984160447	/nfs/dbraw/zinc/16/04/47/984160447.db2.gz	ASYFGGGCAXEEKT-AXFHLTTASA-N	-1	0	299.323	0.633	20	30		CCEDRM
C=CCC[C@H]1NC(=O)N(C[C@H]2CCO[C@H]2C(=O)[O-])C1=O	ZINC001588782064	984169785	/nfs/dbraw/zinc/16/97/85/984169785.db2.gz	NTHLPISFWBKXJV-OPRDCNLKSA-N	-1	0	282.296	0.363	20	30		CCEDRM
C=CCCC[C@@H](NC(=O)CCNC(=O)OC)C(=O)[O-]	ZINC001588789129	984197059	/nfs/dbraw/zinc/19/70/59/984197059.db2.gz	ZARUVROJDUPNTI-SECBINFHSA-N	-1	0	272.301	0.658	20	30		CCEDRM
C=CCCC[C@H](NC(=O)[C@@H]1CN(C(C)=O)CCO1)C(=O)[O-]	ZINC001588790276	984205236	/nfs/dbraw/zinc/20/52/36/984205236.db2.gz	UQFPNEZAODDULB-RYUDHWBXSA-N	-1	0	298.339	0.159	20	30		CCEDRM
C=CCCC[C@@H](NC(=O)[C@H]1C[C@H]1C(N)=O)C(=O)[O-]	ZINC001588794155	984224756	/nfs/dbraw/zinc/22/47/56/984224756.db2.gz	MVHQWRIICOBCSD-HRDYMLBCSA-N	-1	0	254.286	0.034	20	30		CCEDRM
C=CCCC[C@H](NC(=O)Cn1cc([N+](=O)[O-])cn1)C(=O)[O-]	ZINC001588794262	984226032	/nfs/dbraw/zinc/22/60/32/984226032.db2.gz	PMQLWPZPBNFWJD-JTQLQIEISA-N	-1	0	296.283	0.717	20	30		CCEDRM
C=CCCOCC(=O)OCC(=O)N1CCC(C(=O)[O-])CC1	ZINC001588810402	984266944	/nfs/dbraw/zinc/26/69/44/984266944.db2.gz	NSOPUQBTALHFSP-UHFFFAOYSA-N	-1	0	299.323	0.446	20	30		CCEDRM
C=CCCOCC(=O)OCc1cnc(C(=O)[O-])cn1	ZINC001588810491	984267405	/nfs/dbraw/zinc/26/74/05/984267405.db2.gz	SYOBSJPHCTXQAK-UHFFFAOYSA-N	-1	0	266.253	0.811	20	30		CCEDRM
C=CCCOCC(=O)NCc1nc(C(=O)[O-])co1	ZINC001588810489	984267432	/nfs/dbraw/zinc/26/74/32/984267432.db2.gz	SXUAWJSWBLFRPU-UHFFFAOYSA-N	-1	0	254.242	0.582	20	30		CCEDRM
C=CCCOCCN1C(=O)N[C@H](CCC(=O)[O-])C1=O	ZINC001588810532	984268173	/nfs/dbraw/zinc/26/81/73/984268173.db2.gz	WOJSRTBHWUQBRA-SECBINFHSA-N	-1	0	270.285	0.364	20	30		CCEDRM
C=CCN(C(=O)CN1CCC[C@H](C(=O)[O-])C1=O)C1CC1	ZINC001588820887	984287890	/nfs/dbraw/zinc/28/78/90/984287890.db2.gz	XXIHBABNZLAFQG-NSHDSACASA-N	-1	0	280.324	0.487	20	30		CCEDRM
CCOC(=O)[C@@](C)(O)CNc1ccc(C(=O)[O-])nc1C#N	ZINC001596516770	984300026	/nfs/dbraw/zinc/30/00/26/984300026.db2.gz	NBSZMUSPKFBOSU-ZDUSSCGKSA-N	-1	0	293.279	0.377	20	30		CCEDRM
C=CCN(CCOC)C(=O)Cn1cccc(C(=O)[O-])c1=O	ZINC001588828864	984310150	/nfs/dbraw/zinc/31/01/50/984310150.db2.gz	RADWZZWKTAOYSL-UHFFFAOYSA-N	-1	0	294.307	0.208	20	30		CCEDRM
C=CCNC(=O)Nc1nc2n(c1C(=O)[O-])CCC2	ZINC001588844419	984358078	/nfs/dbraw/zinc/35/80/78/984358078.db2.gz	YGSBBVWPIUKKLU-UHFFFAOYSA-N	-1	0	250.258	0.835	20	30		CCEDRM
C=CCNC(=O)COC(=O)c1ccc(OCC(=O)[O-])cc1	ZINC001588844738	984360074	/nfs/dbraw/zinc/36/00/74/984360074.db2.gz	RFUYLLWPYYSZJM-UHFFFAOYSA-N	-1	0	293.275	0.609	20	30		CCEDRM
C=CCNc1ncc(C(=O)N2CC[C@@](O)(C(=O)[O-])C2)s1	ZINC001588849188	984369024	/nfs/dbraw/zinc/36/90/24/984369024.db2.gz	CCWFGAYDTCBUEA-LBPRGKRZSA-N	-1	0	297.336	0.403	20	30		CCEDRM
C=CCNc1ncc(C(=O)N[C@](C)(COC)C(=O)[O-])s1	ZINC001588849509	984372404	/nfs/dbraw/zinc/37/24/04/984372404.db2.gz	VZVRJAGCHMXWDE-GFCCVEGCSA-N	-1	0	299.352	0.961	20	30		CCEDRM
C=CCOC[C@@H](NC(=O)[C@H]1CCN(C(=O)CC)C1)C(=O)[O-]	ZINC001588855961	984395669	/nfs/dbraw/zinc/39/56/69/984395669.db2.gz	SPCHPGYKQLGWHU-WDEREUQCSA-N	-1	0	298.339	0.017	20	30		CCEDRM
C=CCOC[C@H](NC(=O)Cc1ccc(F)cn1)C(=O)[O-]	ZINC001588857004	984402388	/nfs/dbraw/zinc/40/23/88/984402388.db2.gz	UYZPCYJXENABIA-NSHDSACASA-N	-1	0	282.271	0.535	20	30		CCEDRM
C=CCOC[C@H](NC(=O)C1=CC(=O)CS1)C(=O)[O-]	ZINC001588859350	984405116	/nfs/dbraw/zinc/40/51/16/984405116.db2.gz	IRXUXBNIDPWYBX-QMMMGPOBSA-N	-1	0	271.294	0.839	20	30		CCEDRM
C=CCOC[C@H](NC(=O)c1ccnnc1C)C(=O)[O-]	ZINC001588860257	984411810	/nfs/dbraw/zinc/41/18/10/984411810.db2.gz	OAKNTPOIHVJDDE-JTQLQIEISA-N	-1	0	265.269	0.171	20	30		CCEDRM
C=CCOC[C@@H](NC(=O)c1cccc(C#N)c1)C(=O)[O-]	ZINC001588861697	984415960	/nfs/dbraw/zinc/41/59/60/984415960.db2.gz	KHFDLKRFUSBQOY-GFCCVEGCSA-N	-1	0	274.276	0.944	20	30		CCEDRM
C=CCOC[C@@H](NS(=O)(=O)CC1CC(C)C1)C(=O)[O-]	ZINC001588867017	984429349	/nfs/dbraw/zinc/42/93/49/984429349.db2.gz	TTZKTZRLFQNKQX-VQXHTEKXSA-N	-1	0	291.369	0.608	20	30		CCEDRM
C=CCn1c([C@@H](O)CC)nnc1N1CCO[C@H](C(=O)[O-])C1	ZINC001588896828	984505051	/nfs/dbraw/zinc/50/50/51/984505051.db2.gz	UNKWXFZZHWNWDE-UWVGGRQHSA-N	-1	0	296.327	0.197	20	30		CCEDRM
C=C[C@@H]1OCC[C@H]1C(=O)N1CCC[C@@]1(COC)C(=O)[O-]	ZINC001588916816	984563498	/nfs/dbraw/zinc/56/34/98/984563498.db2.gz	GMAFSZFPWROWQE-UHIISALHSA-N	-1	0	283.324	0.670	20	30		CCEDRM
CC#CCCCC(=O)NC1CN(C(=O)[C@@H]2C[C@@H]2C(=O)[O-])C1	ZINC001588924761	984583339	/nfs/dbraw/zinc/58/33/39/984583339.db2.gz	DPFGRQOWCSIPBX-NEPJUHHUSA-N	-1	0	292.335	0.228	20	30		CCEDRM
CC#CCCCC(=O)N1CCO[C@@H](CC(=O)[O-])C1	ZINC001588925352	984586329	/nfs/dbraw/zinc/58/63/29/984586329.db2.gz	PIWOWYCNZVSPDL-NSHDSACASA-N	-1	0	253.298	0.882	20	30		CCEDRM
CC#CCNC(=O)N1CCC[C@H](n2cc(C(=O)[O-])nn2)C1	ZINC001588931927	984604656	/nfs/dbraw/zinc/60/46/56/984604656.db2.gz	GNGREGRHPHNZMV-JTQLQIEISA-N	-1	0	291.311	0.346	20	30		CCEDRM
CCOC(=O)[C@@H]1CC[C@H](C(=O)N(CC#N)CC(=O)[O-])C1	ZINC001596677572	984754510	/nfs/dbraw/zinc/75/45/10/984754510.db2.gz	HTNZNHUCNMFDMP-VHSXEESVSA-N	-1	0	282.296	0.403	20	30		CCEDRM
C/C(=C/CNC(=O)N1C[C@@H](C)N(CC#N)[C@@H](C)C1)C(=O)[O-]	ZINC001588969800	984782988	/nfs/dbraw/zinc/78/29/88/984782988.db2.gz	XRLIGBDDQOBBPE-FACJSSNHSA-N	-1	0	294.355	0.645	20	30		CCEDRM
Cc1cccnc1N=NC(C)c1cn(CC(=O)[O-])nn1	ZINC001589017294	985003227	/nfs/dbraw/zinc/00/32/27/985003227.db2.gz	HFQRRJQQJJPHTO-UHFFFAOYSA-N	-1	0	274.284	0.902	20	30		CCEDRM
C[C@H]1CN(C(=O)CC(C)(C)C#N)C[C@@H](C(=O)[O-])O1	ZINC001599915836	985054714	/nfs/dbraw/zinc/05/47/14/985054714.db2.gz	VNJPKRYGQZNEAA-IUCAKERBSA-N	-1	0	254.286	0.627	20	30		CCEDRM
CC(=O)NCC(=O)O[C@H](C(=O)[O-])c1cccc(C#N)c1	ZINC001589127802	985405791	/nfs/dbraw/zinc/40/57/91/985405791.db2.gz	PYABBLQIIALMJN-LBPRGKRZSA-N	-1	0	276.248	0.363	20	30		CCEDRM
Cc1c(C(=O)N(CC#N)CC(=O)[O-])nnn1C(C)C	ZINC001599975674	986085712	/nfs/dbraw/zinc/08/57/12/986085712.db2.gz	KNVQXNCRNFSYRA-UHFFFAOYSA-N	-1	0	265.273	0.218	20	30		CCEDRM
Cc1c(C(=O)NCC2(C(=O)[O-])CC2)cnn1CCC#N	ZINC001599980601	986157422	/nfs/dbraw/zinc/15/74/22/986157422.db2.gz	YSWRHLNJBYHAPC-UHFFFAOYSA-N	-1	0	276.296	0.700	20	30		CCEDRM
C[C@@H](C#N)CN(C)C(=O)CCCn1ccc(C(=O)[O-])n1	ZINC001589329069	986160148	/nfs/dbraw/zinc/16/01/48/986160148.db2.gz	IFCOXHNTABIXDV-JTQLQIEISA-N	-1	0	278.312	0.980	20	30		CCEDRM
C[C@@H](C#N)CNC(=O)C(=O)Nc1cc(C(=O)[O-])ccc1F	ZINC001589330344	986171513	/nfs/dbraw/zinc/17/15/13/986171513.db2.gz	ARWFCEVMNVHVOI-ZETCQYMHSA-N	-1	0	293.254	0.738	20	30		CCEDRM
C[C@@H](C(=O)N(CC#N)CCC(=O)[O-])c1ccnn1C	ZINC001589341437	986250799	/nfs/dbraw/zinc/25/07/99/986250799.db2.gz	ARUYRIAKOGCNEM-SECBINFHSA-N	-1	0	264.285	0.350	20	30		CCEDRM
C[C@@H](C(=O)N(CC#N)CCC(=O)[O-])c1cncnc1	ZINC001589342114	986264204	/nfs/dbraw/zinc/26/42/04/986264204.db2.gz	UMKQYVPLDJPNQS-SECBINFHSA-N	-1	0	262.269	0.407	20	30		CCEDRM
CCOc1cc(C(=O)N(CC#N)CCC(=O)[O-])on1	ZINC001596994641	986292731	/nfs/dbraw/zinc/29/27/31/986292731.db2.gz	XRZIWJCKRFGUJX-UHFFFAOYSA-N	-1	0	267.241	0.514	20	30		CCEDRM
C[C@@H](C(=O)N1CCC(C(=O)[O-])CC1)N1CCC[C@H](C#N)C1	ZINC001589349390	986300035	/nfs/dbraw/zinc/30/00/35/986300035.db2.gz	GSKNIMKHIFHBJM-NWDGAFQWSA-N	-1	0	293.367	0.934	20	30		CCEDRM
C[C@@H]1CN(c2ccc(C(=O)[O-])nc2C#N)CC[S@@](=O)C1	ZINC001594568748	986374728	/nfs/dbraw/zinc/37/47/28/986374728.db2.gz	MJYRCBAKFISMJA-GSDQLPOLSA-N	-1	0	293.348	0.856	20	30		CCEDRM
C[C@H](C(=O)NCc1ccc(C(=O)[O-])o1)n1cnc(C#N)n1	ZINC001589416253	986654074	/nfs/dbraw/zinc/65/40/74/986654074.db2.gz	VKHDJMIIDKEJBB-SSDOTTSWSA-N	-1	0	289.251	0.318	20	30		CCEDRM
C[C@H](C(=O)N[C@@H](C(=O)[O-])c1ccccc1)n1cnc(C#N)n1	ZINC001589424187	986688821	/nfs/dbraw/zinc/68/88/21/986688821.db2.gz	RNISVHSQTXZJPU-BXKDBHETSA-N	-1	0	299.290	0.653	20	30		CCEDRM
CC(C)(C#N)CS(=O)(=O)NCc1ccc(C(=O)[O-])o1	ZINC001589558294	987309234	/nfs/dbraw/zinc/30/92/34/987309234.db2.gz	NSDWBVFEYAAZHK-UHFFFAOYSA-N	-1	0	286.309	0.947	20	30		CCEDRM
CC[C@@H]1OCC[C@H]1NC(=O)N1CCC(C#N)(C(=O)[O-])CC1	ZINC001597307819	987421810	/nfs/dbraw/zinc/42/18/10/987421810.db2.gz	KZVNELSXUQZOBU-MNOVXSKESA-N	-1	0	295.339	0.954	20	30		CCEDRM
CCc1nc(C#N)cc(N2CC[C@@](F)(C(=O)[O-])C2)n1	ZINC001597645267	988662267	/nfs/dbraw/zinc/66/22/67/988662267.db2.gz	QGFRSBQRLSVTKH-LBPRGKRZSA-N	-1	0	264.260	0.914	20	30		CCEDRM
CCc1nc(C#N)cc(NC[C@H](O)CC(=O)[O-])n1	ZINC001597646920	988670594	/nfs/dbraw/zinc/67/05/94/988670594.db2.gz	MTYKMWGUWADLKF-MRVPVSSYSA-N	-1	0	250.258	0.158	20	30		CCEDRM
CCc1nnsc1C(=O)N1CCC(C#N)(C(=O)[O-])CC1	ZINC001597741628	989099724	/nfs/dbraw/zinc/09/97/24/989099724.db2.gz	MWJYEWVNNIHOAC-UHFFFAOYSA-N	-1	0	294.336	0.931	20	30		CCEDRM
C[C@@H]1CN(C(=O)c2ccc(C#N)[nH]2)C[C@@H](C(=O)[O-])O1	ZINC001599863202	989203008	/nfs/dbraw/zinc/20/30/08/989203008.db2.gz	ZBQQPFOUMLQVKQ-XCBNKYQSSA-N	-1	0	263.253	0.200	20	30		CCEDRM
C[C@@H]1CN(c2nnc([C@H]3C[C@@H]3C#N)n2C)C[C@@H](C(=O)[O-])O1	ZINC001599869556	989327415	/nfs/dbraw/zinc/32/74/15/989327415.db2.gz	GBHPLCGTDNDZIF-IMSYWVGJSA-N	-1	0	291.311	0.120	20	30		CCEDRM
CCn1c([C@@H]2C[C@H]2C#N)nnc1N1CCO[C@H](C(=O)[O-])C1	ZINC001597844710	989558254	/nfs/dbraw/zinc/55/82/54/989558254.db2.gz	QLJWDCITNGZUKD-AEJSXWLSSA-N	-1	0	291.311	0.215	20	30		CCEDRM
CC(C)(C)S(=O)(=O)CCCN(CC#N)CC(=O)[O-]	ZINC001590423014	989971652	/nfs/dbraw/zinc/97/16/52/989971652.db2.gz	XXUWCKRQRVQANK-UHFFFAOYSA-N	-1	0	276.358	0.500	20	30		CCEDRM
CN(C)C[C@](C)(C#N)NC(=O)CCc1ocnc1C(=O)[O-]	ZINC001598199542	990808070	/nfs/dbraw/zinc/80/80/70/990808070.db2.gz	KAFWRBHKUFFGAF-ZDUSSCGKSA-N	-1	0	294.311	0.265	20	30		CCEDRM
CN(C)C[C@](C)(C#N)NC(=O)[C@@H]1CCC[C@H](C(=O)[O-])C1	ZINC001598199742	990810348	/nfs/dbraw/zinc/81/03/48/990810348.db2.gz	QIYSVDPZPVZYPY-SUNKGSAMSA-N	-1	0	281.356	0.837	20	30		CCEDRM
CN(CC(=O)N(CC#N)CC(=O)[O-])Cc1ccccc1	ZINC001598379108	991571894	/nfs/dbraw/zinc/57/18/94/991571894.db2.gz	LGJPUOWRIXVMDQ-UHFFFAOYSA-N	-1	0	275.308	0.555	20	30		CCEDRM
COc1nc(C)cc(N2CCC(C#N)(C(=O)[O-])CC2)n1	ZINC001599730134	991698002	/nfs/dbraw/zinc/69/80/02/991698002.db2.gz	PIHDCYBLUDWGFJ-UHFFFAOYSA-N	-1	0	276.296	0.988	20	30		CCEDRM
COC(=O)[C@H]1CC[C@H](C(=O)[O-])N(C(=O)CCCC#N)C1	ZINC001598772158	995892912	/nfs/dbraw/zinc/89/29/12/995892912.db2.gz	FMBCAHNLAFTBOV-VHSXEESVSA-N	-1	0	282.296	0.545	20	30		CCEDRM
COC(=O)C1CCC(NC(=O)[C@@H]2C[C@@H]2C#N)(C(=O)[O-])CC1	ZINC001598786142	996030931	/nfs/dbraw/zinc/03/09/31/996030931.db2.gz	AMPWCQPUGYMGQF-OVAVYLEHSA-N	-1	0	294.307	0.449	20	30		CCEDRM
COC(=O)[C@H]1CCN(C(=O)C#CC2CC2)[C@@H](C(=O)[O-])C1	ZINC001598790456	996067881	/nfs/dbraw/zinc/06/78/81/996067881.db2.gz	PYZIXLKUMTZUNV-WDEREUQCSA-N	-1	0	279.292	0.265	20	30		CCEDRM
COC(=O)[C@H]1CCN(C(=O)CCCC#N)[C@H](C(=O)[O-])C1	ZINC001598793428	996093055	/nfs/dbraw/zinc/09/30/55/996093055.db2.gz	PXQMCVCZIPJCEV-UWVGGRQHSA-N	-1	0	282.296	0.545	20	30		CCEDRM
C[C@]1(C#N)CCCN(C(=O)c2cnc(C(=O)[O-])cn2)C1	ZINC001593742874	996363224	/nfs/dbraw/zinc/36/32/24/996363224.db2.gz	IEWSJAGGECWFCT-CYBMUJFWSA-N	-1	0	274.280	0.941	20	30		CCEDRM
C[C@]1(C#N)CCN(C(=O)Cn2cccc(C(=O)[O-])c2=O)C1	ZINC001593743008	996364285	/nfs/dbraw/zinc/36/42/85/996364285.db2.gz	MFWKVJUHKQLCSP-CQSZACIVSA-N	-1	0	289.291	0.309	20	30		CCEDRM
COC(=O)[C@@H]1CN(c2snc(C)c2C#N)C[C@@H]1C(=O)[O-]	ZINC001598827581	996399975	/nfs/dbraw/zinc/39/99/75/996399975.db2.gz	NNPZHHUHXRUCHA-DTWKUNHWSA-N	-1	0	295.320	0.633	20	30		CCEDRM
COC(=O)C[C@H](NC(=O)c1cc(C#N)oc1C)C(=O)[O-]	ZINC001598842440	996536768	/nfs/dbraw/zinc/53/67/68/996536768.db2.gz	YPIYWRGROAEJMJ-VIFPVBQESA-N	-1	0	280.236	0.206	20	30		CCEDRM
COC(=O)CN(CC(=O)[O-])C(=O)c1ccc(F)c(C#N)c1	ZINC001598861031	996674570	/nfs/dbraw/zinc/67/45/70/996674570.db2.gz	RRTXEUZEYDINDU-UHFFFAOYSA-N	-1	0	294.238	0.397	20	30		CCEDRM
CC1(C)CCCN(CN2C[C@@H](C(=O)[O-])CC2=O)[C@H]1C#N	ZINC001593910492	996793528	/nfs/dbraw/zinc/79/35/28/996793528.db2.gz	VRJPKAFTIZFECW-QWRGUYRKSA-N	-1	0	279.340	0.891	20	30		CCEDRM
COC(=O)[C@@H](CCC(=O)[O-])NC(=O)c1ccc(C#N)nc1	ZINC001598892088	997011577	/nfs/dbraw/zinc/01/15/77/997011577.db2.gz	IBCFQLUOQSDTHX-SNVBAGLBSA-N	-1	0	291.263	0.089	20	30		CCEDRM
COCc1noc([C@H](C)N(CC#N)CCC(=O)[O-])n1	ZINC001599308590	997371730	/nfs/dbraw/zinc/37/17/30/997371730.db2.gz	QUGNGHFKRCSDMK-QMMMGPOBSA-N	-1	0	268.273	0.577	20	30		CCEDRM
COC1CCC(C(=O)N(CC#N)CC(=O)[O-])CC1	ZINC001599100747	997378153	/nfs/dbraw/zinc/37/81/53/997378153.db2.gz	SBLRBLJVONYJKP-UHFFFAOYSA-N	-1	0	254.286	0.628	20	30		CCEDRM
CO[C@H]1CCN(C(=O)C#CC2CC2)[C@H](C(=O)[O-])C1	ZINC001599116674	997666231	/nfs/dbraw/zinc/66/62/31/997666231.db2.gz	KEBMPODGMICXFP-QWRGUYRKSA-N	-1	0	251.282	0.490	20	30		CCEDRM
CO[C@H]1CCN(C(=O)c2ccc(C#N)nc2)[C@@H](C(=O)[O-])C1	ZINC001599119684	997716317	/nfs/dbraw/zinc/71/63/17/997716317.db2.gz	GTBILUXRJVRKGY-NWDGAFQWSA-N	-1	0	289.291	0.657	20	30		CCEDRM
CO[C@@H]1CN(C(=O)[C@@H](C)CC#N)[C@@](C)(C(=O)[O-])C1	ZINC001599129488	997915873	/nfs/dbraw/zinc/91/58/73/997915873.db2.gz	FGVNKYXCLDBGCT-HOTUBEGUSA-N	-1	0	254.286	0.627	20	30		CCEDRM
COCC#CC(=O)N1Cc2cc(O)ccc2C[C@@H]1C(=O)[O-]	ZINC001599138746	998089392	/nfs/dbraw/zinc/08/93/92/998089392.db2.gz	OUNYAUOXMIOXAR-CYBMUJFWSA-N	-1	0	289.287	0.380	20	30		CCEDRM
COCC#CCN[C@H](C(=O)[O-])c1ccc2c(c1)CCO2	ZINC001599139306	998099368	/nfs/dbraw/zinc/09/93/68/998099368.db2.gz	UCHVBQKCASCMHP-AWEZNQCLSA-N	-1	0	275.304	0.987	20	30		CCEDRM
COC[C@@](C)(NC(=O)c1ccnc(C#N)c1)C(=O)[O-]	ZINC001599153011	998321014	/nfs/dbraw/zinc/32/10/14/998321014.db2.gz	OYGXNEOLFLVICB-GFCCVEGCSA-N	-1	0	263.253	0.173	20	30		CCEDRM
COC[C@H](NC(=O)[C@@H](C#N)CCc1ccccc1)C(=O)[O-]	ZINC001599170676	998606239	/nfs/dbraw/zinc/60/62/39/998606239.db2.gz	ZQQXQVJHFKBPQN-OLZOCXBDSA-N	-1	0	290.319	0.975	20	30		CCEDRM
C[C@H]1C[C@@H](C(=O)N2CCC(C#N)(C(=O)[O-])CC2)CO1	ZINC001594201333	998778294	/nfs/dbraw/zinc/77/82/94/998778294.db2.gz	HKOFAMQQTRSSSO-VHSXEESVSA-N	-1	0	266.297	0.628	20	30		CCEDRM
C[C@@H]1CCc2[nH]nc(C(=O)N(CC#N)CCC(=O)[O-])c2C1	ZINC001594446107	999639180	/nfs/dbraw/zinc/63/91/80/999639180.db2.gz	XKKMGJILGLKWBT-SECBINFHSA-N	-1	0	290.323	0.975	20	30		CCEDRM
Cn1cc(C#N)c(=NC(=O)N=c2cc(C3CC3)[nH][nH]2)[n-]1	ZINC000617277120	365588730	/nfs/dbraw/zinc/58/87/30/365588730.db2.gz	MJRBZKZJCNVFHA-UHFFFAOYSA-N	-1	0	271.284	0.380	20	30		CCEDRM
C/C=C/CNC(=O)C(=O)N=c1[n-]n(C(C)(C)C)cc1C#N	ZINC000600068680	361860230	/nfs/dbraw/zinc/86/02/30/361860230.db2.gz	IDDVCJVCEJVVJN-AATRIKPKSA-N	-1	0	289.339	0.562	20	30		CCEDRM
C=CCCNC(=O)Cc1c(C)nc2cc[n-]n2c1=O	ZINC000617615551	365691586	/nfs/dbraw/zinc/69/15/86/365691586.db2.gz	QNPUIZRCBKQTJJ-UHFFFAOYSA-N	-1	0	260.297	0.566	20	30		CCEDRM
CC[C@@H](C)N(CC(=O)[O-])S(=O)(=O)c1ccc(C#N)nc1	ZINC000127932223	187341677	/nfs/dbraw/zinc/34/16/77/187341677.db2.gz	OCHRPNKGGMDRPW-SECBINFHSA-N	-1	0	297.336	0.827	20	30		CCEDRM
C=CC[C@@H]1CCCN(C(=O)c2n[nH]c(=O)[n-]c2=O)C1	ZINC000617781701	365775062	/nfs/dbraw/zinc/77/50/62/365775062.db2.gz	RVQMPVDCXHWPIF-MRVPVSSYSA-N	-1	0	264.285	0.711	20	30		CCEDRM
C#CCO[C@H](C)C(=O)N[C@@H](CCC)c1nnn[n-]1	ZINC000295076672	199332939	/nfs/dbraw/zinc/33/29/39/199332939.db2.gz	WKNFYLOPFSYNAL-BDAKNGLRSA-N	-1	0	251.290	0.195	20	30		CCEDRM
N#Cc1c[n-][nH]c1=NC(=O)[C@H]1CCN(CC(F)(F)F)C1	ZINC000601640541	362337438	/nfs/dbraw/zinc/33/74/38/362337438.db2.gz	ZHKJWISLQVPYNJ-ZETCQYMHSA-N	-1	0	287.245	0.526	20	30		CCEDRM
Cc1[n-][nH]c(=NC(=O)[C@]23CCC[C@H]2OCC3)c1C#N	ZINC000601679648	362352329	/nfs/dbraw/zinc/35/23/29/362352329.db2.gz	MKEFMDOLTBUKEY-MFKMUULPSA-N	-1	0	260.297	0.909	20	30		CCEDRM
Cc1[n-]n(CCCN2CCOCC2)c(=O)c1CCC#N	ZINC000601947035	362433525	/nfs/dbraw/zinc/43/35/25/362433525.db2.gz	DMSKHDVQYQEYHN-ZDUSSCGKSA-N	-1	0	278.356	0.847	20	30		CCEDRM
CC[C@H]1CCCN1C(=O)Cn1cc(C#N)c(=O)[n-]c1=O	ZINC000602098027	362486284	/nfs/dbraw/zinc/48/62/84/362486284.db2.gz	VMQICKRCXMWFRW-JTQLQIEISA-N	-1	0	276.296	0.222	20	30		CCEDRM
CC[C@]1(C)CCN(C(=O)Cn2cc(C#N)c(=O)[n-]c2=O)C1	ZINC000602122462	362504827	/nfs/dbraw/zinc/50/48/27/362504827.db2.gz	ZDQUAWSQVFAQDS-CQSZACIVSA-N	-1	0	290.323	0.469	20	30		CCEDRM
C[C@@H]1CN(C(=O)CCn2cc(C#N)c(=O)[n-]c2=O)[C@H]1C	ZINC000602154242	362529794	/nfs/dbraw/zinc/52/97/94/362529794.db2.gz	BBODHJMAIDOQHH-BDAKNGLRSA-N	-1	0	276.296	0.077	20	30		CCEDRM
CC[C@H](C)N(CC)C(=O)Cn1cc(C#N)c(=O)[n-]c1=O	ZINC000602179227	362545372	/nfs/dbraw/zinc/54/53/72/362545372.db2.gz	PWPPQDRIULHARS-VIFPVBQESA-N	-1	0	278.312	0.468	20	30		CCEDRM
CC(C)N(CC(=O)[O-])S(=O)(=O)c1ccc(C#N)o1	ZINC000262304289	535040643	/nfs/dbraw/zinc/04/06/43/535040643.db2.gz	LWSBEAHJNBPJCV-UHFFFAOYSA-N	-1	0	272.282	0.635	20	30		CCEDRM
N#CCCN1CCN(C(=O)N=c2[n-]nc3ccccn32)CC1	ZINC000602835417	362826427	/nfs/dbraw/zinc/82/64/27/362826427.db2.gz	BAGBXZOQVHILEL-UHFFFAOYSA-N	-1	0	299.338	0.214	20	30		CCEDRM
CCCC[C@H](NS(=O)(=O)c1cncc(C#N)c1)C(=O)[O-]	ZINC000261691851	535066315	/nfs/dbraw/zinc/06/63/15/535066315.db2.gz	HRZCGCWREYXAIZ-NSHDSACASA-N	-1	0	297.336	0.875	20	30		CCEDRM
Cc1nc(C(=O)N2CCC[C@@H]2C(=O)[O-])ccc1C#N	ZINC000037435266	348188673	/nfs/dbraw/zinc/18/86/73/348188673.db2.gz	FWZLBZOTLMNBRE-LLVKDONJSA-N	-1	0	259.265	0.951	20	30		CCEDRM
CCC(O)(CC)CN(C)C(=O)N=c1[n-]n(C)cc1C#N	ZINC000602881920	362861650	/nfs/dbraw/zinc/86/16/50/362861650.db2.gz	MLUDKBJXJFBTHZ-UHFFFAOYSA-N	-1	0	279.344	0.728	20	30		CCEDRM
CO[C@H](CNC(=O)N=c1[n-]n(C)cc1C#N)C1CC1	ZINC000602883887	362862742	/nfs/dbraw/zinc/86/27/42/362862742.db2.gz	YOGCDZVBDXHFJS-SNVBAGLBSA-N	-1	0	263.301	0.260	20	30		CCEDRM
COCCC1CN(C(=O)N=c2[n-]n(C)cc2C#N)C1	ZINC000602885510	362864402	/nfs/dbraw/zinc/86/44/02/362864402.db2.gz	FSTULJUFYVRDCS-UHFFFAOYSA-N	-1	0	263.301	0.214	20	30		CCEDRM
C=CCN(C(=O)N=c1[n-]n(C)cc1C#N)[C@@H](C)COC	ZINC000602885992	362864963	/nfs/dbraw/zinc/86/49/63/362864963.db2.gz	HQHWNYFZSRMIRC-JTQLQIEISA-N	-1	0	277.328	0.768	20	30		CCEDRM
CC(C)O[C@@H]1CCN(C(=O)N=c2[n-]n(C)cc2C#N)C1	ZINC000602887263	362866308	/nfs/dbraw/zinc/86/63/08/362866308.db2.gz	NXZKWKOZVCTZLX-LLVKDONJSA-N	-1	0	277.328	0.745	20	30		CCEDRM
Cn1cc(C#N)c(=NC(=O)N2CCC[C@@H](F)C2)[n-]1	ZINC000602887714	362866459	/nfs/dbraw/zinc/86/64/59/362866459.db2.gz	QQCQCZYMHMLPFI-SECBINFHSA-N	-1	0	251.265	0.679	20	30		CCEDRM
C[C@@H](C#N)CNS(=O)(=O)c1ccc(CC(=O)[O-])cc1	ZINC000054156534	348544256	/nfs/dbraw/zinc/54/42/56/348544256.db2.gz	HSAYKFSDJLWYBP-VIFPVBQESA-N	-1	0	282.321	0.752	20	30		CCEDRM
O=C1CNC(/N=C(\[O-])Cc2cn3ccsc3n2)=N1	ZINC000056214224	348589151	/nfs/dbraw/zinc/58/91/51/348589151.db2.gz	ZYAKSOCVVUERIS-UHFFFAOYSA-N	-1	0	263.282	0.381	20	30		CCEDRM
N#Cc1ccc(S(=O)(=O)N[C@H](C(=O)[O-])C2CC2)cc1	ZINC000054504674	348558313	/nfs/dbraw/zinc/55/83/13/348558313.db2.gz	WWPBZBCEWHKORQ-NSHDSACASA-N	-1	0	280.305	0.700	20	30		CCEDRM
Cc1ccc(C#N)cc1NC(=O)CC[C@H]1NC(=O)NC1=O	ZINC000127694894	350176080	/nfs/dbraw/zinc/17/60/80/350176080.db2.gz	BXSFGJSWDYCZKQ-SNVBAGLBSA-N	-1	0	286.291	0.793	20	30		CCEDRM
N#Cc1cc(S(=O)(=O)NC2(C(=O)[O-])CCC2)ccc1F	ZINC000164928537	350784682	/nfs/dbraw/zinc/78/46/82/350784682.db2.gz	SGLUXOIAWKCFCW-UHFFFAOYSA-N	-1	0	298.295	0.983	20	30		CCEDRM
CCc1nc([N-]S(=O)(=O)c2ccc(C#N)nc2)no1	ZINC000180303407	351283192	/nfs/dbraw/zinc/28/31/92/351283192.db2.gz	KJIOZMJBNPNZES-UHFFFAOYSA-N	-1	0	279.281	0.699	20	30		CCEDRM
N#Cc1cccc(CNC(=O)CSc2n[nH]c(=O)[n-]2)c1	ZINC000353759870	137544276	/nfs/dbraw/zinc/54/42/76/137544276.db2.gz	OJVRTLNCOFMIPA-UHFFFAOYSA-N	-1	0	289.320	0.790	20	30		CCEDRM
C=CCCOCCNC(=O)[C@H]1CC[C@@H](C(=O)[O-])O1	ZINC000226257468	352021679	/nfs/dbraw/zinc/02/16/79/352021679.db2.gz	WZRPEQNBLCNBMU-ZJUUUORDSA-N	-1	0	257.286	0.328	20	30		CCEDRM
C=CC[C@@H](NS(=O)(=O)c1ccnn1CC)C(=O)[O-]	ZINC000274869678	353169154	/nfs/dbraw/zinc/16/91/54/353169154.db2.gz	AHVIWBLUYJYJKN-MRVPVSSYSA-N	-1	0	273.314	0.211	20	30		CCEDRM
CC#CC[C@H](NS(=O)(=O)c1c(C)noc1C)C(=O)[O-]	ZINC000274919579	353172970	/nfs/dbraw/zinc/17/29/70/353172970.db2.gz	ANIKVCXPTVEJJE-VIFPVBQESA-N	-1	0	286.309	0.436	20	30		CCEDRM
C=CCCCS(=O)(=O)Nc1c(C(=O)OC)cnn1C	ZINC000295180006	199390280	/nfs/dbraw/zinc/39/02/80/199390280.db2.gz	IKXPDCJPBGMQPV-UHFFFAOYSA-N	-1	0	287.341	0.915	20	30		CCEDRM
CCCN(CC(=O)[O-])S(=O)(=O)c1ccc(C#N)nc1	ZINC000159686284	188437649	/nfs/dbraw/zinc/43/76/49/188437649.db2.gz	GGMJBKVSUHYRKV-UHFFFAOYSA-N	-1	0	283.309	0.439	20	30		CCEDRM
C=CCOCCNC(=O)N1CC[C@@H](C(=O)[O-])[C@H](C)C1	ZINC000302553770	354082533	/nfs/dbraw/zinc/08/25/33/354082533.db2.gz	WEGFXNSSOBCSDE-GHMZBOCLSA-N	-1	0	270.329	0.941	20	30		CCEDRM
Cn1cc(C#N)c(=NC(=O)NC[C@H]2CCSC2)[n-]1	ZINC000619204005	366216423	/nfs/dbraw/zinc/21/64/23/366216423.db2.gz	UCJYEUBDPIHJNQ-MRVPVSSYSA-N	-1	0	265.342	0.588	20	30		CCEDRM
C[C@H](CN(C)C(=O)c1cc(C#N)c[nH]1)c1nnn[n-]1	ZINC000352472391	356013483	/nfs/dbraw/zinc/01/34/83/356013483.db2.gz	CTXHMYDUDCKYHC-SSDOTTSWSA-N	-1	0	259.273	0.275	20	30		CCEDRM
Cc1nc(C(=O)NC(C)(C)c2nnn[n-]2)ccc1C#N	ZINC000354807292	356503223	/nfs/dbraw/zinc/50/32/23/356503223.db2.gz	UUXSTBOWFFJGRL-UHFFFAOYSA-N	-1	0	271.284	0.440	20	30		CCEDRM
C[C@H](NS(=O)(=O)c1cccc(CC#N)c1)C(=O)[O-]	ZINC000619470177	366264279	/nfs/dbraw/zinc/26/42/79/366264279.db2.gz	QLMPMVMCFZOAQU-QMMMGPOBSA-N	-1	0	268.294	0.504	20	30		CCEDRM
CC[C@H](NS(=O)(=O)c1cccc(CC#N)c1)C(=O)[O-]	ZINC000619470146	366264620	/nfs/dbraw/zinc/26/46/20/366264620.db2.gz	NOERIECBMZNURV-NSHDSACASA-N	-1	0	282.321	0.894	20	30		CCEDRM
Cn1cc(C#N)c(=NC(=O)NC2(C(F)F)CC2)[n-]1	ZINC000619727553	366343732	/nfs/dbraw/zinc/34/37/32/366343732.db2.gz	FGONQRWZTMYMAH-UHFFFAOYSA-N	-1	0	255.228	0.633	20	30		CCEDRM
N#Cc1cc(C(=O)NC2(c3nnn[n-]3)CCCC2)ccn1	ZINC000356162390	356714004	/nfs/dbraw/zinc/71/40/04/356714004.db2.gz	WDEOHIZGPIZYRJ-UHFFFAOYSA-N	-1	0	283.295	0.666	20	30		CCEDRM
C[C@@H](O)C[C@@H](C)CNC(=O)N=c1[n-]n(C)cc1C#N	ZINC000610562327	363575875	/nfs/dbraw/zinc/57/58/75/363575875.db2.gz	OTMZISGIYHRRLH-RKDXNWHRSA-N	-1	0	265.317	0.242	20	30		CCEDRM
CSC[C@@H](C)NC(=O)N=c1[n-]n(C)cc1C#N	ZINC000610561448	363575895	/nfs/dbraw/zinc/57/58/95/363575895.db2.gz	WKYNBVDLWXAQPD-SSDOTTSWSA-N	-1	0	253.331	0.587	20	30		CCEDRM
Cn1cc(C#N)c(=NC(=O)N2CCN(C3CC3)CC2)[n-]1	ZINC000610561776	363576183	/nfs/dbraw/zinc/57/61/83/363576183.db2.gz	CXBAKYXYPNTHKV-UHFFFAOYSA-N	-1	0	274.328	0.026	20	30		CCEDRM
Cn1cc(C#N)c(=NC(=O)NC[C@]2(C)CCOC2)[n-]1	ZINC000610565022	363578724	/nfs/dbraw/zinc/57/87/24/363578724.db2.gz	NYUGWJGGXDPYAT-LBPRGKRZSA-N	-1	0	263.301	0.262	20	30		CCEDRM
C[C@@H](O)C1CCN(C(=O)N=c2[n-]n(C)cc2C#N)CC1	ZINC000610564797	363579809	/nfs/dbraw/zinc/57/98/09/363579809.db2.gz	SFFZAUOKQWMCJD-SECBINFHSA-N	-1	0	277.328	0.338	20	30		CCEDRM
Cn1cc(C#N)c(=NC(=O)NCCOC[C@H]2CCCO2)[n-]1	ZINC000610564699	363579837	/nfs/dbraw/zinc/57/98/37/363579837.db2.gz	RHZRCXWTOYHFOT-LLVKDONJSA-N	-1	0	293.327	0.031	20	30		CCEDRM
N#Cc1c(C2CC2)[n-][nH]c1=NC(=O)[C@H]1CCc2nccn2C1	ZINC000377138216	357542453	/nfs/dbraw/zinc/54/24/53/357542453.db2.gz	CJARNSIXWRKSLB-JTQLQIEISA-N	-1	0	296.334	0.978	20	30		CCEDRM
CCc1ccc(C#CC(=O)NCCc2nc(=O)o[n-]2)cc1	ZINC000294350825	199007844	/nfs/dbraw/zinc/00/78/44/199007844.db2.gz	SQDKJCIETOFOON-UHFFFAOYSA-N	-1	0	285.303	0.636	20	30		CCEDRM
CSc1[n-]c(=O)c(C(=O)N2CCN(C)CC2)cc1C#N	ZINC000408137771	357935379	/nfs/dbraw/zinc/93/53/79/357935379.db2.gz	KHYYITYJEXOPTJ-UHFFFAOYSA-N	-1	0	292.364	0.768	20	30		CCEDRM
CC[C@@H](CCO)CNC(=O)N=c1[n-]n(C)cc1C#N	ZINC000610674757	363595553	/nfs/dbraw/zinc/59/55/53/363595553.db2.gz	KMIWOOQWLLBUHY-VIFPVBQESA-N	-1	0	265.317	0.244	20	30		CCEDRM
C#CCN(CC)C(=O)N=c1[n-]nc(CCC(=O)OC)s1	ZINC000490778296	358291068	/nfs/dbraw/zinc/29/10/68/358291068.db2.gz	CTZXWOMWVOPZKW-UHFFFAOYSA-N	-1	0	296.352	0.553	20	30		CCEDRM
CC(C)N(CCC#N)C(=O)c1cnc([O-])n(C)c1=O	ZINC000530963714	358433814	/nfs/dbraw/zinc/43/38/14/358433814.db2.gz	XVEFESMJJAPHPS-UHFFFAOYSA-N	-1	0	264.285	0.250	20	30		CCEDRM
C=C[C@@H](CCC(=O)[O-])NS(=O)(=O)N1CCCC1	ZINC000556714351	358553397	/nfs/dbraw/zinc/55/33/97/358553397.db2.gz	CYZDWAQNBZSBSQ-VIFPVBQESA-N	-1	0	262.331	0.336	20	30		CCEDRM
C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)NC[C@@H](C)C(=O)[O-]	ZINC000655875093	412673476	/nfs/dbraw/zinc/67/34/76/412673476.db2.gz	FDMWWURJKQESTR-MXWKQRLJSA-N	-1	0	270.329	0.988	20	30		CCEDRM
C[C@@H]1N(C(=O)N=c2[n-]n(C)cc2C#N)CCOC1(C)C	ZINC000610821400	363617241	/nfs/dbraw/zinc/61/72/41/363617241.db2.gz	QQUKUOWRFFJTQV-VIFPVBQESA-N	-1	0	277.328	0.745	20	30		CCEDRM
CCN(C[C@@H](C)C#N)S(=O)(=O)NCCCC(=O)[O-]	ZINC000573921166	359012101	/nfs/dbraw/zinc/01/21/01/359012101.db2.gz	LOTCUJSUOYMMAQ-VIFPVBQESA-N	-1	0	277.346	0.167	20	30		CCEDRM
C=C(CC)CNC(=O)C(=O)N1CCC[C@@H](CC(=O)[O-])C1	ZINC000584583699	359175062	/nfs/dbraw/zinc/17/50/62/359175062.db2.gz	TWHBXWSEIJSULV-NSHDSACASA-N	-1	0	282.340	0.782	20	30		CCEDRM
N#Cc1c(C2CC2)[n-][nH]c1=NC(=O)c1ccnnc1	ZINC000588767535	359336402	/nfs/dbraw/zinc/33/64/02/359336402.db2.gz	JMGJZLMHTQJQDM-UHFFFAOYSA-N	-1	0	254.253	0.623	20	30		CCEDRM
CC(C)O[C@H]1C[C@@H](NC(=O)N=c2[n-]n(C)cc2C#N)C1	ZINC000590957468	359541969	/nfs/dbraw/zinc/54/19/69/359541969.db2.gz	OAILDYGGIQGTOB-PHIMTYICSA-N	-1	0	277.328	0.791	20	30		CCEDRM
CC[C@@H](C)[C@H](CNC(=O)N=c1[n-]n(C)cc1C#N)OC	ZINC000590819570	359526641	/nfs/dbraw/zinc/52/66/41/359526641.db2.gz	NEWGPHNBHVSITH-KOLCDFICSA-N	-1	0	279.344	0.896	20	30		CCEDRM
CSC[C@H](C)C(=O)N=c1[n-]n(C)c(C)c1C#N	ZINC000592646754	359907985	/nfs/dbraw/zinc/90/79/85/359907985.db2.gz	QIERWQLBKDXLMF-ZETCQYMHSA-N	-1	0	252.343	0.960	20	30		CCEDRM
Cc1c(C#N)c(=NC(=O)[C@H](C)OCC2CC2)[n-]n1C	ZINC000592645920	359908338	/nfs/dbraw/zinc/90/83/38/359908338.db2.gz	JWYSGJCXWLXBDA-VIFPVBQESA-N	-1	0	262.313	0.776	20	30		CCEDRM
N#Cc1ccc(CN2CCS(=O)(=O)C[C@@H]2C(=O)[O-])cc1	ZINC000592990397	360008960	/nfs/dbraw/zinc/00/89/60/360008960.db2.gz	WEBPUUMRZBIVMP-GFCCVEGCSA-N	-1	0	294.332	0.242	20	30		CCEDRM
CC(C)n1cnc(=NC(=O)c2cc(C#N)ccn2)[n-]1	ZINC000593780847	360150567	/nfs/dbraw/zinc/15/05/67/360150567.db2.gz	DJTKYJOCRHMJAL-UHFFFAOYSA-N	-1	0	256.269	0.800	20	30		CCEDRM
C=CCOC[C@H](NC(=O)NCC[C@@H]1CC1(F)F)C(=O)[O-]	ZINC000621248842	366679663	/nfs/dbraw/zinc/67/96/63/366679663.db2.gz	ACUPJQNAOSAWDV-BDAKNGLRSA-N	-1	0	292.282	0.987	20	30		CCEDRM
CCn1nccc1S(=O)(=O)[N-]c1cc(C)c(C#N)cn1	ZINC000594578416	360333813	/nfs/dbraw/zinc/33/38/13/360333813.db2.gz	BTDDKOOPDWATCP-UHFFFAOYSA-N	-1	0	291.336	0.701	20	30		CCEDRM
CC(=O)NCCN(C(=O)CCCCC#N)[C@@H](C)C(=O)[O-]	ZINC000594458378	360318709	/nfs/dbraw/zinc/31/87/09/360318709.db2.gz	WSDMZCQGNNTAME-JTQLQIEISA-N	-1	0	283.328	0.508	20	30		CCEDRM
CN(CC(=O)[O-])C(=O)NCCc1ccc(C#N)cc1	ZINC000594691722	360361020	/nfs/dbraw/zinc/36/10/20/360361020.db2.gz	ZCHRYYLICCZRQT-UHFFFAOYSA-N	-1	0	261.281	0.827	20	30		CCEDRM
C=CCCSCCNC(=O)N[C@]1(C(=O)[O-])CCOC1	ZINC000594690116	360361089	/nfs/dbraw/zinc/36/10/89/360361089.db2.gz	FBENGPGSQDLSJE-GFCCVEGCSA-N	-1	0	288.369	0.839	20	30		CCEDRM
N#CCCCS(=O)(=O)N1CC2(CCCC2)[C@H]1C(=O)[O-]	ZINC000594675919	360358733	/nfs/dbraw/zinc/35/87/33/360358733.db2.gz	WFQGAZYWJCMKAX-SNVBAGLBSA-N	-1	0	286.353	0.949	20	30		CCEDRM
COC(=O)c1ccc(NC[C@@H](C)C(=O)[O-])c(C#N)n1	ZINC000595968660	360742521	/nfs/dbraw/zinc/74/25/21/360742521.db2.gz	KFMFEQPTNQVNDF-SSDOTTSWSA-N	-1	0	263.253	0.872	20	30		CCEDRM
N#CCC1(CS(=O)(=O)N2CC3(CCC3)[C@H]2C(=O)[O-])CC1	ZINC000596034563	360779186	/nfs/dbraw/zinc/77/91/86/360779186.db2.gz	KNYYZNBSNAWQQE-SNVBAGLBSA-N	-1	0	298.364	0.949	20	30		CCEDRM
N#Cc1cccc(/C=C/C(=O)[N-]S(=O)(=O)C2COC2)c1	ZINC000493599606	238240866	/nfs/dbraw/zinc/24/08/66/238240866.db2.gz	UFSFSBMWMCPTCX-SNAWJCMRSA-N	-1	0	292.316	0.416	20	30		CCEDRM
C=CCCNC(=O)N=c1[n-]n(C)cc1C(=O)OCC	ZINC000596825800	360962292	/nfs/dbraw/zinc/96/22/92/360962292.db2.gz	ZYVYFAOAWBVMLQ-UHFFFAOYSA-N	-1	0	266.301	0.716	20	30		CCEDRM
C[C@@H](CC#N)C(=O)N1CCC[C@H](c2n[nH]c(=O)[n-]2)C1	ZINC000597624451	361167347	/nfs/dbraw/zinc/16/73/47/361167347.db2.gz	AADZOFDNJFZQSB-IUCAKERBSA-N	-1	0	263.301	0.766	20	30		CCEDRM
C=CCCOCC(=O)N1CCSC[C@@H](C(=O)[O-])C1	ZINC000621604834	366806182	/nfs/dbraw/zinc/80/61/82/366806182.db2.gz	OWIPUQJRIAJAIG-JTQLQIEISA-N	-1	0	273.354	0.855	20	30		CCEDRM
CO[C@H](C(=O)N=c1[nH][n-]c(C2CC2)c1C#N)[C@@H]1CCOC1	ZINC000598733806	361501426	/nfs/dbraw/zinc/50/14/26/361501426.db2.gz	FIOZFLCQDYUTLI-SKDRFNHKSA-N	-1	0	290.323	0.571	20	30		CCEDRM
Cc1c(C#N)c(=NC(=O)c2cnc3n2CCC3)[n-]n1C	ZINC000598846928	361526142	/nfs/dbraw/zinc/52/61/42/361526142.db2.gz	WZILSCCSQHFABG-UHFFFAOYSA-N	-1	0	270.296	0.417	20	30		CCEDRM
CC(C)[C@@H](C#N)NC(=O)c1ccc([N-]S(C)(=O)=O)nc1	ZINC000599412298	361689894	/nfs/dbraw/zinc/68/98/94/361689894.db2.gz	MXENEGWZAPEHLR-SNVBAGLBSA-N	-1	0	296.352	0.731	20	30		CCEDRM
CC(C)OCCNC(=O)N=c1[n-]n(C)cc1C#N	ZINC000612573645	363961882	/nfs/dbraw/zinc/96/18/82/363961882.db2.gz	ZBZZVGNWRUFCDN-UHFFFAOYSA-N	-1	0	251.290	0.260	20	30		CCEDRM
C=C(C)C[C@H](NC(C)=O)C(=O)N=c1nc2ccccn2[n-]1	ZINC000615009129	364814312	/nfs/dbraw/zinc/81/43/12/364814312.db2.gz	OYFBVDMFIATSCV-NSHDSACASA-N	-1	0	287.323	0.561	20	30		CCEDRM
CC[C@@]1(C)CN(C(=O)N=c2[n-]n(C)cc2C#N)CCO1	ZINC000615500865	364984432	/nfs/dbraw/zinc/98/44/32/364984432.db2.gz	SCJKQKYNMKDIRM-ZDUSSCGKSA-N	-1	0	277.328	0.746	20	30		CCEDRM
N#Cc1cc(F)ccc1CS(=O)(=O)N1CC(C(=O)[O-])C1	ZINC000565058065	291341222	/nfs/dbraw/zinc/34/12/22/291341222.db2.gz	RIRPFOZIUJDNQP-UHFFFAOYSA-N	-1	0	298.295	0.544	20	30		CCEDRM
C=C[C@@H]1OCC[C@H]1CNC(=O)N1CC(C(=O)[O-])C1	ZINC000621835885	366884470	/nfs/dbraw/zinc/88/44/70/366884470.db2.gz	PIQDBWSWOCJPQI-WPRPVWTQSA-N	-1	0	254.286	0.304	20	30		CCEDRM
C=C[C@@H]1OCCC[C@H]1NC(=O)c1c[n-]n2c1nccc2=O	ZINC000622090563	367017583	/nfs/dbraw/zinc/01/75/83/367017583.db2.gz	PEPHEDJPFRNBJU-MNOVXSKESA-N	-1	0	288.307	0.486	20	30		CCEDRM
C=CCCOCC(=O)N[C@@H](c1nnn[n-]1)c1ccccc1	ZINC000622610447	367220559	/nfs/dbraw/zinc/22/05/59/367220559.db2.gz	VPJOPXKCMXELBB-CYBMUJFWSA-N	-1	0	287.323	0.998	20	30		CCEDRM
C=CC(C)(C)CCNC(=O)C(=O)NCCC(=O)[O-]	ZINC000627277743	368941452	/nfs/dbraw/zinc/94/14/52/368941452.db2.gz	WDQWEIMDRGCLDQ-UHFFFAOYSA-N	-1	0	256.302	0.296	20	30		CCEDRM
C=CC[C@H]1CCN(C(=O)C(=O)N[C@H]2CC[C@@H](C(=O)[O-])C2)C1	ZINC000627278317	368942464	/nfs/dbraw/zinc/94/24/64/368942464.db2.gz	NSNTZIKFGUKEQW-TUAOUCFPSA-N	-1	0	294.351	0.781	20	30		CCEDRM
C=C(C)C[C@H](NC(=O)c1ccc(C(=O)NC)nc1)C(=O)[O-]	ZINC000630320231	370045809	/nfs/dbraw/zinc/04/58/09/370045809.db2.gz	RKQYTOFNJYVFRE-NSHDSACASA-N	-1	0	291.307	0.590	20	30		CCEDRM
C=C(C)C[C@H](NC(=O)c1cccc(=O)n1C)C(=O)[O-]	ZINC000630319659	370045912	/nfs/dbraw/zinc/04/59/12/370045912.db2.gz	FHHJUOHXBKVURC-VIFPVBQESA-N	-1	0	264.281	0.535	20	30		CCEDRM
C=C(C)C[C@H](NC(=O)[C@H](OC)[C@@H]1CCOC1)C(=O)[O-]	ZINC000630321102	370046908	/nfs/dbraw/zinc/04/69/08/370046908.db2.gz	FLDCOUQBVAZINM-OUAUKWLOSA-N	-1	0	271.313	0.574	20	30		CCEDRM
C=C(C)C[C@H](NC(=O)COc1cccnc1)C(=O)[O-]	ZINC000630320720	370047007	/nfs/dbraw/zinc/04/70/07/370047007.db2.gz	AQIDDGWHEJFVTL-NSHDSACASA-N	-1	0	264.281	0.996	20	30		CCEDRM
C=C(C)C[C@@H](NC(=O)COC[C@H]1CCCO1)C(=O)[O-]	ZINC000630325789	370048053	/nfs/dbraw/zinc/04/80/53/370048053.db2.gz	LRYMKAGONBUMAC-GHMZBOCLSA-N	-1	0	271.313	0.718	20	30		CCEDRM
C=CCC[C@H](NC(=O)c1cn(C2CC2)nn1)C(=O)[O-]	ZINC000630180400	369993293	/nfs/dbraw/zinc/99/32/93/369993293.db2.gz	BWCUBHDSSDZFTF-VIFPVBQESA-N	-1	0	264.285	0.762	20	30		CCEDRM
C=CCOC[C@@H](NC(=O)CCc1ccnn1C)C(=O)[O-]	ZINC000630185463	369995206	/nfs/dbraw/zinc/99/52/06/369995206.db2.gz	BWNYCKNPLGTISM-LLVKDONJSA-N	-1	0	281.312	0.125	20	30		CCEDRM
C=C(C)C[C@@H](NS(=O)(=O)N(CC)CC1CC1)C(=O)[O-]	ZINC000630437295	370115975	/nfs/dbraw/zinc/11/59/75/370115975.db2.gz	BOYGMBSWFXJARI-LLVKDONJSA-N	-1	0	290.385	0.972	20	30		CCEDRM
C=C(C)C[C@@H](NS(=O)(=O)C[C@H]1CCOC1)C(=O)[O-]	ZINC000630437723	370116163	/nfs/dbraw/zinc/11/61/63/370116163.db2.gz	HNWOKVJJAYMEJR-VHSXEESVSA-N	-1	0	277.342	0.362	20	30		CCEDRM
C=CCCS(=O)(=O)N[C@@H](C(=O)[O-])[C@@H]1CCCO1	ZINC000630423247	370108036	/nfs/dbraw/zinc/10/80/36/370108036.db2.gz	QPRVYVMWFFXWJK-DTWKUNHWSA-N	-1	0	263.315	0.114	20	30		CCEDRM
C=C[C@@H]1OCC[C@H]1NC(=O)[C@H]1[C@H](C(=O)[O-])C1(C)C	ZINC000634840766	372267182	/nfs/dbraw/zinc/26/71/82/372267182.db2.gz	UYCVLAWXQYVWRI-UTINFBMNSA-N	-1	0	253.298	0.803	20	30		CCEDRM
C=CCCNC(=O)N[C@H](C(=O)[O-])[C@@H]1CCCOC1	ZINC000656588671	412830948	/nfs/dbraw/zinc/83/09/48/412830948.db2.gz	POFWASHKZVVAQQ-ZJUUUORDSA-N	-1	0	256.302	0.742	20	30		CCEDRM
C=CCOCCCNC(=O)N[C@@]1(C(=O)[O-])CCSC1	ZINC000656595834	412833405	/nfs/dbraw/zinc/83/34/05/412833405.db2.gz	SDUUCIXKFBHKLA-LBPRGKRZSA-N	-1	0	288.369	0.839	20	30		CCEDRM
CCN(CC(=O)[O-])S(=O)(=O)N(CC)C[C@@H](C)C#N	ZINC000575049537	335058904	/nfs/dbraw/zinc/05/89/04/335058904.db2.gz	FRNUDTILADBDSD-VIFPVBQESA-N	-1	0	277.346	0.119	20	30		CCEDRM
C#CCNC(=O)Cn1c(=O)c2ccccc2[n-]c1=S	ZINC000061205278	388936740	/nfs/dbraw/zinc/93/67/40/388936740.db2.gz	MPHGXPKSYMHWET-UHFFFAOYSA-N	-1	0	273.317	0.808	20	30		CCEDRM
C=CCNC(=O)c1ccc(NCc2n[nH]c(=O)[n-]2)nc1	ZINC000301762601	389057978	/nfs/dbraw/zinc/05/79/78/389057978.db2.gz	GRLBCVIRGOWWTI-UHFFFAOYSA-N	-1	0	274.284	0.021	20	30		CCEDRM
N#C[C@]1(NC(=O)c2ccc([N+](=O)[O-])c([O-])c2)CCOC1	ZINC000358436876	389150296	/nfs/dbraw/zinc/15/02/96/389150296.db2.gz	CYFKKJSYUSTTFZ-GFCCVEGCSA-N	-1	0	277.236	0.713	20	30		CCEDRM
N#C[C@H]1CN(C(=O)N=c2[n-]nc(C(F)F)s2)CCO1	ZINC000358351118	389149097	/nfs/dbraw/zinc/14/90/97/389149097.db2.gz	JVOFQOPKABXBND-YFKPBYRVSA-N	-1	0	289.267	0.654	20	30		CCEDRM
CS(=O)(=O)[N-]c1nnc(NC(=O)CCCC#N)s1	ZINC000360034193	389188072	/nfs/dbraw/zinc/18/80/72/389188072.db2.gz	XVHFVVRZSKTRNB-UHFFFAOYSA-N	-1	0	289.342	0.542	20	30		CCEDRM
C=CCN=c1[n-]nc(S(=O)(=O)Cc2ccn(C)n2)s1	ZINC000358707673	389158588	/nfs/dbraw/zinc/15/85/88/389158588.db2.gz	RMXSWBWXYKFJTE-UHFFFAOYSA-N	-1	0	299.381	0.265	20	30		CCEDRM
C=CCN=c1[n-]nc(S(=O)(=O)C[C@@H]2CCCO2)s1	ZINC000358708909	389158719	/nfs/dbraw/zinc/15/87/19/389158719.db2.gz	ZAUGWPRTFIGALJ-QMMMGPOBSA-N	-1	0	289.382	0.511	20	30		CCEDRM
CN1CCC[C@H](NC(=O)c2cccn3c([O-])nnc23)C1=O	ZINC000329346977	389158843	/nfs/dbraw/zinc/15/88/43/389158843.db2.gz	RPSOFMVHDBYGEQ-VIFPVBQESA-N	-1	0	289.295	0.360	20	30		CCEDRM
CO[C@@H](CNS(=O)(=O)c1ccccc1C#N)CC(=O)[O-]	ZINC000232108431	389161315	/nfs/dbraw/zinc/16/13/15/389161315.db2.gz	ARGHPPZSQMTZDN-SNVBAGLBSA-N	-1	0	298.320	0.326	20	30		CCEDRM
Cn1cccc(N=C([O-])[C@@H]2CCCCS2(=O)=O)c1=O	ZINC000329473387	389165834	/nfs/dbraw/zinc/16/58/34/389165834.db2.gz	BINDLTYNAZKLBB-JTQLQIEISA-N	-1	0	284.337	0.941	20	30		CCEDRM
N#CCCN(CCC#N)C(=O)CSc1n[nH]c(=O)[n-]1	ZINC000361995482	389227518	/nfs/dbraw/zinc/22/75/18/389227518.db2.gz	FPUDNBZBWIBLBC-UHFFFAOYSA-N	-1	0	280.313	0.258	20	30		CCEDRM
COC[C@@H](NC(=O)COc1ccc(C#N)cc1)C(=O)[O-]	ZINC000158348167	389340521	/nfs/dbraw/zinc/34/05/21/389340521.db2.gz	IHKXLZNISKIQPO-LLVKDONJSA-N	-1	0	278.264	0.153	20	30		CCEDRM
CC(C)n1cc(C(=O)NCc2n[nH]c(=O)[n-]2)cn1	ZINC000330979146	389270682	/nfs/dbraw/zinc/27/06/82/389270682.db2.gz	UTJYMTAZFUZOPR-UHFFFAOYSA-N	-1	0	250.262	0.793	20	30		CCEDRM
C=C[C@@H]1OCC[C@H]1C(=O)[N-]S(=O)(=O)[C@H](C)CC	ZINC000408490449	389368172	/nfs/dbraw/zinc/36/81/72/389368172.db2.gz	AYINDICZFOLHBJ-BBBLOLIVSA-N	-1	0	261.343	0.822	20	30		CCEDRM
N#Cc1cccc(C(=O)NC2(c3nnn[n-]3)CC2)c1	ZINC000348278136	389372266	/nfs/dbraw/zinc/37/22/66/389372266.db2.gz	TZWSPIOHENXIJV-UHFFFAOYSA-N	-1	0	254.253	0.490	20	30		CCEDRM
Cn1cc(CCNC(=O)c2ccc(C#N)c(O)c2)cn1	ZINC000349722992	389426615	/nfs/dbraw/zinc/42/66/15/389426615.db2.gz	QCDQWSCJRAAUJT-UHFFFAOYSA-N	-1	0	270.292	0.970	20	30		CCEDRM
CCOC(=O)c1[nH]c(=O)n(-c2cc(C)cc(C#N)c2)c1[O-]	ZINC000414379966	389613916	/nfs/dbraw/zinc/61/39/16/389613916.db2.gz	NPTCWCDNZLYUBO-NSHDSACASA-N	-1	0	287.275	0.855	20	30		CCEDRM
C=CCC1(C(=O)N=c2ccn(CC(=O)[O-])[nH]2)CCOCC1	ZINC000425247932	389642718	/nfs/dbraw/zinc/64/27/18/389642718.db2.gz	ZGNKFNRVGLGTDV-UHFFFAOYSA-N	-1	0	293.323	0.701	20	30		CCEDRM
C=CCCn1cc(C(=O)NC2(C(=O)[O-])CCC2)nn1	ZINC000425237771	389643235	/nfs/dbraw/zinc/64/32/35/389643235.db2.gz	HQMXGANIHQAWCI-UHFFFAOYSA-N	-1	0	264.285	0.591	20	30		CCEDRM
N#C[C@@H]1COCCN1C(=O)c1cccc([N+](=O)[O-])c1[O-]	ZINC000178452571	389606378	/nfs/dbraw/zinc/60/63/78/389606378.db2.gz	OJFYEDWSRKNCHM-MRVPVSSYSA-N	-1	0	277.236	0.665	20	30		CCEDRM
Cc1[n-][nH]c(=NC(=O)[C@H](C)NC(=O)C(C)(C)C)c1C#N	ZINC000431459357	389860046	/nfs/dbraw/zinc/86/00/46/389860046.db2.gz	NYFJJDXMCLAIHW-QMMMGPOBSA-N	-1	0	277.328	0.501	20	30		CCEDRM
CC#CCNC(=O)N=c1[n-]nc(CCC(=O)OC)s1	ZINC000443598375	389882260	/nfs/dbraw/zinc/88/22/60/389882260.db2.gz	DWSLACRIVHRRBH-UHFFFAOYSA-N	-1	0	282.325	0.210	20	30		CCEDRM
C=CC[C@H](CO)CN=c1[n-]c(C(=O)OCC)co1	ZINC000418916678	389885106	/nfs/dbraw/zinc/88/51/06/389885106.db2.gz	HJGSGXCVMRENBU-VIFPVBQESA-N	-1	0	254.286	0.870	20	30		CCEDRM
C=CCC[C@@H](NC(=O)c1ccc(C(N)=O)s1)C(=O)[O-]	ZINC000448995554	389991883	/nfs/dbraw/zinc/99/18/83/389991883.db2.gz	QOOCVAJDPDMMSZ-SSDOTTSWSA-N	-1	0	282.321	0.996	20	30		CCEDRM
Cc1cc(C(=O)NC(C)(C)c2nnn[n-]2)ncc1C#N	ZINC000457596284	390046978	/nfs/dbraw/zinc/04/69/78/390046978.db2.gz	JPBDKDOJEOPFMJ-UHFFFAOYSA-N	-1	0	271.284	0.440	20	30		CCEDRM
N#CC1(CS(=O)(=O)[N-]C(=O)/C=C\C2CCOCC2)CC1	ZINC000492906486	390118617	/nfs/dbraw/zinc/11/86/17/390118617.db2.gz	AVOQXCUREPJTLD-UPHRSURJSA-N	-1	0	298.364	0.719	20	30		CCEDRM
CC#CCS(=O)(=O)[N-]C(=O)/C=C/c1cnc(C)s1	ZINC000493200084	390120617	/nfs/dbraw/zinc/12/06/17/390120617.db2.gz	OBXAUVZDZDXTPM-AATRIKPKSA-N	-1	0	284.362	0.934	20	30		CCEDRM
CC#CCS(=O)(=O)[N-]C(=O)/C=C\c1cncc(F)c1	ZINC000493392818	390124625	/nfs/dbraw/zinc/12/46/25/390124625.db2.gz	SIMCCVMPUAIJJM-PLNGDYQASA-N	-1	0	282.296	0.703	20	30		CCEDRM
C=CCn1cc(C(=O)NC2CCC(C(=O)[O-])CC2)nn1	ZINC000647728845	390149465	/nfs/dbraw/zinc/14/94/65/390149465.db2.gz	GHRMHJPBTPFYOW-UHFFFAOYSA-N	-1	0	278.312	0.837	20	30		CCEDRM
C=CCn1cc(C(=O)N(CC(=O)[O-])C(C)C)nn1	ZINC000647732622	390150221	/nfs/dbraw/zinc/15/02/21/390150221.db2.gz	PTECXTGDWQKGIL-UHFFFAOYSA-N	-1	0	252.274	0.399	20	30		CCEDRM
CCc1noc(C)c1Cn1c(=O)[n-]cc(C#N)c1=O	ZINC000579352864	390165048	/nfs/dbraw/zinc/16/50/48/390165048.db2.gz	LEVMYDPBWUKZRJ-UHFFFAOYSA-N	-1	0	260.253	0.315	20	30		CCEDRM
C[C@H](C#N)CNC(=O)N=c1ncn(C(C)(C)C)[n-]1	ZINC000541503475	390240502	/nfs/dbraw/zinc/24/05/02/390240502.db2.gz	CJCKUPCQPRGFFB-MRVPVSSYSA-N	-1	0	250.306	0.736	20	30		CCEDRM
C=C(C)[C@H]1OCC[C@H]1C(=O)N1CCO[C@@H](CC(=O)[O-])C1	ZINC000582183377	390267226	/nfs/dbraw/zinc/26/72/26/390267226.db2.gz	LAPIRLXGNAEYLP-DMDPSCGWSA-N	-1	0	283.324	0.670	20	30		CCEDRM
C[C@]1(C#N)CCN(C(=O)N=c2[n-]nc3ccccn32)C1	ZINC000596731900	390370694	/nfs/dbraw/zinc/37/06/94/390370694.db2.gz	QTAFVCJTKJYLIU-CYBMUJFWSA-N	-1	0	270.296	0.919	20	30		CCEDRM
C[C@@H](C=Nn1c(=O)[n-][nH]c1=O)CNC(=O)OC(C)(C)C	ZINC000496775995	390362428	/nfs/dbraw/zinc/36/24/28/390362428.db2.gz	IQZATYGAOZMABH-SSDOTTSWSA-N	-1	0	285.304	0.684	20	30		CCEDRM
CC#CC[C@H](CO)N=c1[n-]c(C2CCOCC2)no1	ZINC000645406905	390422398	/nfs/dbraw/zinc/42/23/98/390422398.db2.gz	FBODGSLBHLXTQB-LLVKDONJSA-N	-1	0	265.313	0.572	20	30		CCEDRM
C=CC[C@H](NS(=O)(=O)[C@@H]1CCO[C@@H]1C)C(=O)[O-]	ZINC000646041148	390580954	/nfs/dbraw/zinc/58/09/54/390580954.db2.gz	YXCOCIGCQRAETF-HRDYMLBCSA-N	-1	0	263.315	0.113	20	30		CCEDRM
C=CCCS(=O)(=O)NC[C@@H](CC(=O)[O-])C(F)F	ZINC000520652961	390587003	/nfs/dbraw/zinc/58/70/03/390587003.db2.gz	XEJNFIPWXZUCCA-SSDOTTSWSA-N	-1	0	271.285	0.838	20	30		CCEDRM
C=CCn1cc(C(=O)N[C@@](C)(COC)CC(=O)[O-])nn1	ZINC000649246495	390536402	/nfs/dbraw/zinc/53/64/02/390536402.db2.gz	IFBVOKCGRSLKAZ-GFCCVEGCSA-N	-1	0	282.300	0.074	20	30		CCEDRM
C=C(C)CS(=O)(=O)N1CCC[C@@]1(COC)C(=O)[O-]	ZINC000643971455	390610991	/nfs/dbraw/zinc/61/09/91/390610991.db2.gz	SAWXHEKASQEZNW-LLVKDONJSA-N	-1	0	277.342	0.458	20	30		CCEDRM
C[C@H](C#N)CN(C)S(=O)(=O)NCC(C)(C)C(=O)[O-]	ZINC000568002626	390711888	/nfs/dbraw/zinc/71/18/88/390711888.db2.gz	HQACEUPJEIALDO-MRVPVSSYSA-N	-1	0	277.346	0.023	20	30		CCEDRM
C=C[C@H](CCC(=O)[O-])NS(=O)(=O)c1cc(C)cnc1N	ZINC000568361762	390713925	/nfs/dbraw/zinc/71/39/25/390713925.db2.gz	OKXQJQVKGUVCEO-SECBINFHSA-N	-1	0	299.352	0.670	20	30		CCEDRM
CC#CC[C@@H](CO)NC(=O)N=c1nc2ccccn2[n-]1	ZINC000646336992	390667913	/nfs/dbraw/zinc/66/79/13/390667913.db2.gz	LLDYOUWDEPCGIH-JTQLQIEISA-N	-1	0	273.296	0.047	20	30		CCEDRM
C=CCNc1ncc(C(=O)N2CCO[C@H](C(=O)[O-])C2)s1	ZINC000647219668	390791926	/nfs/dbraw/zinc/79/19/26/390791926.db2.gz	SVXXBRBZFNIDIG-QMMMGPOBSA-N	-1	0	297.336	0.089	20	30		CCEDRM
C[C@@H](NS(=O)(=O)c1ccc(C#N)c(F)c1)C(=O)[O-]	ZINC000427674224	533480892	/nfs/dbraw/zinc/48/08/92/533480892.db2.gz	NPFCPTQCTHFQDO-ZCFIWIBFSA-N	-1	0	272.257	0.449	20	30		CCEDRM
N#Cc1ccc(C(=O)NC2(c3nnn[n-]3)CC2)s1	ZINC000357068472	144056512	/nfs/dbraw/zinc/05/65/12/144056512.db2.gz	HTZUOXBJQBURPU-UHFFFAOYSA-N	-1	0	260.282	0.552	20	30		CCEDRM
Cc1[n-][nH]c(=NC(=O)[C@@H](C)NC(=O)c2ccccc2)c1C#N	ZINC000357251644	144074411	/nfs/dbraw/zinc/07/44/11/144074411.db2.gz	FFPVRNUXWLSLSE-SNVBAGLBSA-N	-1	0	297.318	0.769	20	30		CCEDRM
CCc1nc([N-]S(=O)(=O)c2cncc(C#N)c2)no1	ZINC000357377462	144086327	/nfs/dbraw/zinc/08/63/27/144086327.db2.gz	YGTBPQHMLNJFRW-UHFFFAOYSA-N	-1	0	279.281	0.699	20	30		CCEDRM
CCc1nnc([N-]S(=O)(=O)c2ccc(C#N)nc2)[nH]1	ZINC000358947120	144188041	/nfs/dbraw/zinc/18/80/41/144188041.db2.gz	CNPYYAUHPVEXOB-UHFFFAOYSA-N	-1	0	278.297	0.435	20	30		CCEDRM
C=CCN(C(=O)C(=O)Nc1cccnc1C(=O)[O-])C1CC1	ZINC000659060363	413269524	/nfs/dbraw/zinc/26/95/24/413269524.db2.gz	ZMNVAAQIBCHJIT-UHFFFAOYSA-N	-1	0	289.291	0.895	20	30		CCEDRM
C=CCOC[C@@H](NC(=O)[C@H]1C[C@H]2C[C@H]2C1)C(=O)[O-]	ZINC000659155321	413318339	/nfs/dbraw/zinc/31/83/39/413318339.db2.gz	CFCXTMIZYKUOBL-VPOLOUISSA-N	-1	0	253.298	0.805	20	30		CCEDRM
C=CCN(C(=O)NC[C@@H](C)C(=O)[O-])[C@@H](C)COC	ZINC000659413704	413482849	/nfs/dbraw/zinc/48/28/49/413482849.db2.gz	XEXUCPWBDGGNHD-ZJUUUORDSA-N	-1	0	258.318	0.940	20	30		CCEDRM
C=CCCNS(=O)(=O)c1scnc1C(=O)[O-]	ZINC000168463034	544730209	/nfs/dbraw/zinc/73/02/09/544730209.db2.gz	YHJCGKOQBRRNHY-UHFFFAOYSA-N	-1	0	262.312	0.696	20	30		CCEDRM
C#CCN(CC#C)S(=O)(=O)c1ccc(C(=O)[O-])c(C)c1	ZINC000491073470	261319738	/nfs/dbraw/zinc/31/97/38/261319738.db2.gz	ZOMRTGJRINAUSW-UHFFFAOYSA-N	-1	0	291.328	0.950	20	30		CCEDRM
C#C[C@@H](CC)NC(=O)C(=O)N=c1ccc(OC(C)C)n[n-]1	ZINC000491210193	261372355	/nfs/dbraw/zinc/37/23/55/261372355.db2.gz	QYKAVNQVXQVOPZ-JTQLQIEISA-N	-1	0	290.323	0.152	20	30		CCEDRM
CC(C)(C)[C@H](C#N)NC(=O)CSc1n[nH]c(=O)[n-]1	ZINC000292083611	263128317	/nfs/dbraw/zinc/12/83/17/263128317.db2.gz	MVSDHHPXQZMNFW-LURJTMIESA-N	-1	0	269.330	0.245	20	30		CCEDRM
CC(C)(CCO)NC(=O)c1cccn2c([O-])nnc12	ZINC000330769687	264033797	/nfs/dbraw/zinc/03/37/97/264033797.db2.gz	AIIYNLKQWAZWDM-UHFFFAOYSA-N	-1	0	264.285	0.901	20	30		CCEDRM
CCCc1nc(=NC(=O)N[C@@H]2C(=O)NCC[C@H]2C)s[n-]1	ZINC000330864353	264057301	/nfs/dbraw/zinc/05/73/01/264057301.db2.gz	UGYNCJXUXIRDFY-APPZFPTMSA-N	-1	0	297.384	0.763	20	30		CCEDRM
CN(C)c1ncc(CNC(=O)N=c2[n-]ncs2)n1C	ZINC000330848601	264067138	/nfs/dbraw/zinc/06/71/38/264067138.db2.gz	ZDNPOPRLDZMWQS-UHFFFAOYSA-N	-1	0	281.345	0.286	20	30		CCEDRM
C[C@H](CC#N)N(C)C(=O)CSc1n[nH]c(=O)[n-]1	ZINC000330974162	264100984	/nfs/dbraw/zinc/10/09/84/264100984.db2.gz	CFWGRHSHTGXKCN-ZCFIWIBFSA-N	-1	0	255.303	0.363	20	30		CCEDRM
C[C@@H](O)CN(C(=O)N=c1cn[n-]s1)[C@@H](C)CO	ZINC000331141715	264136564	/nfs/dbraw/zinc/13/65/64/264136564.db2.gz	FSIRKEGZTICZQP-NKWVEPMBSA-N	-1	0	260.319	0.147	20	30		CCEDRM
C#CC[C@H](NS(=O)(=O)CCc1ccccc1)C(=O)[O-]	ZINC000161251979	264280613	/nfs/dbraw/zinc/28/06/13/264280613.db2.gz	ZKSLIMRLKPRFFN-LBPRGKRZSA-N	-1	0	281.333	0.625	20	30		CCEDRM
C=CCN(CC(=O)[O-])S(=O)(=O)N1CCCCCC1	ZINC000092463771	264451108	/nfs/dbraw/zinc/45/11/08/264451108.db2.gz	QNARMHRRWMMDBG-UHFFFAOYSA-N	-1	0	276.358	0.680	20	30		CCEDRM
C=C[C@@](C)(O)CC(=O)N=c1nc([C@@H](C)OC)[n-]s1	ZINC000356277782	266085675	/nfs/dbraw/zinc/08/56/75/266085675.db2.gz	HTWAFDQXTXPISA-RDDDGLTNSA-N	-1	0	271.342	0.933	20	30		CCEDRM
C=CCCS(=O)(=O)N1CC[C@H](C(=O)[O-])[C@@H](C)C1	ZINC000276102585	277835224	/nfs/dbraw/zinc/83/52/24/277835224.db2.gz	JBLUTHHHJJLZMW-UWVGGRQHSA-N	-1	0	261.343	0.935	20	30		CCEDRM
CC[C@H]1C[C@H](C(=O)Nc2nc(C#N)c(C#N)[n-]2)CC(=O)N1	ZINC000350009120	288349415	/nfs/dbraw/zinc/34/94/15/288349415.db2.gz	POBYANSEMPGMLY-YUMQZZPRSA-N	-1	0	286.295	0.396	20	30		CCEDRM
CN=c1[n-]nc(CC(=O)N2CCC(C)(C#N)CC2)s1	ZINC000353936773	290323961	/nfs/dbraw/zinc/32/39/61/290323961.db2.gz	BHWARJMCKMZLSW-UHFFFAOYSA-N	-1	0	279.369	0.696	20	30		CCEDRM
C=CC(C)(C)CNC(=O)N1CCO[C@H](C(=O)[O-])C1	ZINC000385048567	545085307	/nfs/dbraw/zinc/08/53/07/545085307.db2.gz	QDVYYPWQJXUDFT-VIFPVBQESA-N	-1	0	256.302	0.694	20	30		CCEDRM
N#Cc1ccccc1S(=O)(=O)N1CCOC[C@@H]1C(=O)[O-]	ZINC000088376958	303207306	/nfs/dbraw/zinc/20/73/06/303207306.db2.gz	OCGBPQMYVDCVSG-SNVBAGLBSA-N	-1	0	296.304	0.032	20	30		CCEDRM
N#Cc1ccccc1S(=O)(=O)N[C@]1(C(=O)[O-])CCOC1	ZINC000085855865	303208393	/nfs/dbraw/zinc/20/83/93/303208393.db2.gz	LIRMNUWUNCOMMF-GFCCVEGCSA-N	-1	0	296.304	0.080	20	30		CCEDRM
N#CCC1(CS(=O)(=O)N2CC[C@@H](CC(=O)[O-])C2)CC1	ZINC000563225079	327981826	/nfs/dbraw/zinc/98/18/26/327981826.db2.gz	HESYDRSFYPQKSC-JTQLQIEISA-N	-1	0	286.353	0.807	20	30		CCEDRM
C=C(C)[C@H](CC(=O)NCc1n[nH]c(=O)[n-]1)OCC	ZINC000339379571	328009096	/nfs/dbraw/zinc/00/90/96/328009096.db2.gz	RAAHEEOBCWGQIL-QMMMGPOBSA-N	-1	0	254.290	0.498	20	30		CCEDRM
COCCN(CC(=O)[O-])C(=O)c1cccc(CC#N)c1	ZINC000262421917	328150074	/nfs/dbraw/zinc/15/00/74/328150074.db2.gz	QIVPQHULTCFKQV-UHFFFAOYSA-N	-1	0	276.292	0.926	20	30		CCEDRM
N#CCCCCS(=O)(=O)N1CC[C@@H](CC(=O)[O-])C1	ZINC000563854095	328526007	/nfs/dbraw/zinc/52/60/07/328526007.db2.gz	YUQROCNINXBFDE-JTQLQIEISA-N	-1	0	274.342	0.807	20	30		CCEDRM
N#CCCCS(=O)(=O)NCCSCC(=O)[O-]	ZINC000393809423	329089726	/nfs/dbraw/zinc/08/97/26/329089726.db2.gz	SPCSXWZGJAPDIV-UHFFFAOYSA-N	-1	0	266.344	0.027	20	30		CCEDRM
C=CCCn1cc(C(=O)N[C@@H](CCOC)C(=O)[O-])nn1	ZINC000425235579	329645953	/nfs/dbraw/zinc/64/59/53/329645953.db2.gz	DPMBIDABYULIPT-VIFPVBQESA-N	-1	0	282.300	0.074	20	30		CCEDRM
C=C(C)COCCNC(=O)C(=O)N1CC[C@](C)(C(=O)[O-])C1	ZINC000420563851	329774864	/nfs/dbraw/zinc/77/48/64/329774864.db2.gz	QUHLRAMZOPJBKX-AWEZNQCLSA-N	-1	0	298.339	0.019	20	30		CCEDRM
CCC[C@@H](NS(=O)(=O)N(C)[C@H](C)CC#N)C(=O)[O-]	ZINC000263516175	330058722	/nfs/dbraw/zinc/05/87/22/330058722.db2.gz	ZZZGUTCJBQNIAQ-RKDXNWHRSA-N	-1	0	277.346	0.308	20	30		CCEDRM
C=CCOC[C@@H](NC(=O)c1coc(C)c1)C(=O)[O-]	ZINC000262886925	330036315	/nfs/dbraw/zinc/03/63/15/330036315.db2.gz	COUHVBCAUXIVLG-SNVBAGLBSA-N	-1	0	253.254	0.974	20	30		CCEDRM
C=CCC[C@H](NC(=O)[C@H](C)NC(=O)c1ccoc1)C(=O)[O-]	ZINC000262912471	330036809	/nfs/dbraw/zinc/03/68/09/330036809.db2.gz	NHXQJUZJHDDUFZ-ONGXEEELSA-N	-1	0	294.307	0.934	20	30		CCEDRM
C#CCOc1ccccc1NC(=O)NC[C@@](C)(O)C(=O)[O-]	ZINC000262993170	330038180	/nfs/dbraw/zinc/03/81/80/330038180.db2.gz	DSUXEORPOYCTKR-CQSZACIVSA-N	-1	0	292.291	0.656	20	30		CCEDRM
C=CCCO[C@@H](C)C(=O)N1CCO[C@@H](C(=O)[O-])C1	ZINC000263051004	330040747	/nfs/dbraw/zinc/04/07/47/330040747.db2.gz	WWSHFISZAAQFJH-VHSXEESVSA-N	-1	0	257.286	0.280	20	30		CCEDRM
C=CCOC[C@@H](NC(=O)[C@@]1(C)CCCO1)C(=O)[O-]	ZINC000263113260	330044390	/nfs/dbraw/zinc/04/43/90/330044390.db2.gz	UWNHCEKINBOVKJ-BXKDBHETSA-N	-1	0	257.286	0.328	20	30		CCEDRM
C=CCOC[C@@H](NC(=O)CC[C@@H]1CCCO1)C(=O)[O-]	ZINC000263124473	330044837	/nfs/dbraw/zinc/04/48/37/330044837.db2.gz	VPGKDAHYBDERMZ-WDEREUQCSA-N	-1	0	271.313	0.718	20	30		CCEDRM
C=C[C@@H]1OCCC[C@H]1NC(=O)N1CC[C@@H](C(=O)[O-])C1	ZINC000263420718	330055035	/nfs/dbraw/zinc/05/50/35/330055035.db2.gz	WVZUNQSZBIVUEJ-MXWKQRLJSA-N	-1	0	268.313	0.836	20	30		CCEDRM
C[C@@H](C(=O)[O-])N(C)S(=O)(=O)CC1(CC#N)CC1	ZINC000263539732	330059190	/nfs/dbraw/zinc/05/91/90/330059190.db2.gz	BUAKVWGVAHLAQE-QMMMGPOBSA-N	-1	0	260.315	0.415	20	30		CCEDRM
C[C@H](C#N)CN(C)C(=O)C(=O)N1C[C@H](C(=O)[O-])C[C@H](C)C1	ZINC000422944303	330162106	/nfs/dbraw/zinc/16/21/06/330162106.db2.gz	LJJVNSQJIYPLFJ-HBNTYKKESA-N	-1	0	295.339	0.174	20	30		CCEDRM
C[C@@H](C#N)CN(C)S(=O)(=O)NCCC(C)(C)C(=O)[O-]	ZINC000424391310	330349982	/nfs/dbraw/zinc/34/99/82/330349982.db2.gz	MOVSLRXJNUGCAY-VIFPVBQESA-N	-1	0	291.373	0.413	20	30		CCEDRM
C=CCn1cc(CNC(=O)CC(C)(C)CC(=O)[O-])nn1	ZINC000424540702	330371326	/nfs/dbraw/zinc/37/13/26/330371326.db2.gz	TYZZEUJIFSBPCZ-UHFFFAOYSA-N	-1	0	280.328	0.971	20	30		CCEDRM
C=C[C@@H](CO)NC(=O)c1ccc([N+](=O)[O-])cc1[O-]	ZINC000436930409	330688931	/nfs/dbraw/zinc/68/89/31/330688931.db2.gz	HODYYOVJWNKXMO-ZETCQYMHSA-N	-1	0	252.226	0.577	20	30		CCEDRM
COCCc1nc(=NCC2CCN(CC#N)CC2)s[n-]1	ZINC000446849226	330856503	/nfs/dbraw/zinc/85/65/03/330856503.db2.gz	XCLXLNXYCHRLCO-UHFFFAOYSA-N	-1	0	295.412	0.796	20	30		CCEDRM
C#CCNC(=O)c1ccccc1[N-]S(=O)(=O)N1CCC1	ZINC000491072605	332146888	/nfs/dbraw/zinc/14/68/88/332146888.db2.gz	UKGGTHPKGUCEGM-UHFFFAOYSA-N	-1	0	293.348	0.412	20	30		CCEDRM
C#C[C@H](CC)NS(=O)(=O)c1cnc(NC(C)=O)s1	ZINC000491219675	332167631	/nfs/dbraw/zinc/16/76/31/332167631.db2.gz	GPVQGHVKBNDAJR-MRVPVSSYSA-N	-1	0	287.366	0.792	20	30		CCEDRM
C#C[C@@H](CC)NC(=O)c1cc(C)c2c(=O)[n-]c(=O)nc-2[nH]1	ZINC000491428438	332210056	/nfs/dbraw/zinc/21/00/56/332210056.db2.gz	PAECWULWEKJSPA-QMMMGPOBSA-N	-1	0	286.291	0.886	20	30		CCEDRM
COC[C@@](C)(C#N)NC(=O)/C=C\c1cncc(O)c1	ZINC000492470061	332398960	/nfs/dbraw/zinc/39/89/60/332398960.db2.gz	DRDCRYIGWCHDCQ-DHCBQETCSA-N	-1	0	261.281	0.845	20	30		CCEDRM
CC#CCS(=O)(=O)[N-]C(=O)/C=C/C1(C)CCOCC1	ZINC000493808089	332454883	/nfs/dbraw/zinc/45/48/83/332454883.db2.gz	FCYUQJDDXXDZSQ-AATRIKPKSA-N	-1	0	285.365	0.829	20	30		CCEDRM
CC#CC[C@@H](NS(=O)(=O)N(C)[C@H](C)C1CC1)C(=O)[O-]	ZINC000540999706	333757762	/nfs/dbraw/zinc/75/77/62/333757762.db2.gz	DPRQJFWLNMYLDK-MWLCHTKSSA-N	-1	0	288.369	0.418	20	30		CCEDRM
CC#CC[C@H](NS(=O)(=O)N1CCC[C@H](C)C1)C(=O)[O-]	ZINC000543787101	333898765	/nfs/dbraw/zinc/89/87/65/333898765.db2.gz	JFZBPGJMGOATOA-QWRGUYRKSA-N	-1	0	288.369	0.419	20	30		CCEDRM
C[C@H](NS(=O)(=O)CC1(C#N)CCCC1)C(=O)[O-]	ZINC000547920472	334129330	/nfs/dbraw/zinc/12/93/30/334129330.db2.gz	VSHPAAODYJRQJW-QMMMGPOBSA-N	-1	0	260.315	0.463	20	30		CCEDRM
C[C@H]1CCN(S(=O)(=O)CCCC#N)[C@@H]1C(=O)[O-]	ZINC000547923474	334129343	/nfs/dbraw/zinc/12/93/43/334129343.db2.gz	CDWOHWQDRNZXAR-IUCAKERBSA-N	-1	0	260.315	0.415	20	30		CCEDRM
CCN([C@@H](C)CC(=O)[O-])S(=O)(=O)N(C)CCC#N	ZINC000548233273	334146938	/nfs/dbraw/zinc/14/69/38/334146938.db2.gz	FRSVGAIJNAVZOK-VIFPVBQESA-N	-1	0	277.346	0.262	20	30		CCEDRM
C[C@@H]1CCN(S(=O)(=O)CCCC#N)[C@@H](C(=O)[O-])C1	ZINC000548577307	334162821	/nfs/dbraw/zinc/16/28/21/334162821.db2.gz	WDROHCRKAVWNMX-NXEZZACHSA-N	-1	0	274.342	0.805	20	30		CCEDRM
COCCN([C@H](C)C(=O)[O-])S(=O)(=O)CC1(C#N)CC1	ZINC000548577693	334162876	/nfs/dbraw/zinc/16/28/76/334162876.db2.gz	IBIDYNXWBIZSNA-SECBINFHSA-N	-1	0	290.341	0.041	20	30		CCEDRM
C=C(C)CN(CC)S(=O)(=O)N1CCC[C@H]1C(=O)[O-]	ZINC000576277202	335181103	/nfs/dbraw/zinc/18/11/03/335181103.db2.gz	UJDLULZGMZQXNL-JTQLQIEISA-N	-1	0	276.358	0.678	20	30		CCEDRM
C=C1CCN(S(=O)(=O)N2CCC[C@H]2C(=O)[O-])CC1	ZINC000564920450	334528297	/nfs/dbraw/zinc/52/82/97/334528297.db2.gz	VYKAZGMLOVHGBO-JTQLQIEISA-N	-1	0	274.342	0.432	20	30		CCEDRM
C=C[C@](C)(O)CC(=O)N1CCC[C@@H](c2n[nH]c(=O)[n-]2)C1	ZINC000565308107	334551366	/nfs/dbraw/zinc/55/13/66/334551366.db2.gz	TWHUFABHZQBTKM-RNCFNFMXSA-N	-1	0	280.328	0.543	20	30		CCEDRM
C=CCn1c([C@@H]2COCCO2)n[n-]c1=Nc1cnn(C)c1	ZINC000577285211	335335474	/nfs/dbraw/zinc/33/54/74/335335474.db2.gz	JYADEAIXDNOZFW-NSHDSACASA-N	-1	0	290.327	0.451	20	30		CCEDRM
C=CCN(CC=C)C(=O)C(=O)NCCCC(=O)[O-]	ZINC000577730484	335393716	/nfs/dbraw/zinc/39/37/16/335393716.db2.gz	QKMIHXJQTFVFFB-UHFFFAOYSA-N	-1	0	254.286	0.168	20	30		CCEDRM
CCOC(=O)c1[nH]c(=O)n(-c2ccc(C#N)cc2)c1[O-]	ZINC000349267438	335455045	/nfs/dbraw/zinc/45/50/45/335455045.db2.gz	OSYLUVUHGJKRCS-SNVBAGLBSA-N	-1	0	273.248	0.546	20	30		CCEDRM
C[C@@H](C#N)CN(C)S(=O)(=O)N[C@@H](C(=O)[O-])C1CCC1	ZINC000578657493	335660520	/nfs/dbraw/zinc/66/05/20/335660520.db2.gz	NVPFTMDCAMDZNA-WCBMZHEXSA-N	-1	0	289.357	0.166	20	30		CCEDRM
C[C@@H](CC#N)N(C)S(=O)(=O)N1CC[C@@H](C)[C@@H]1C(=O)[O-]	ZINC000578991117	335696564	/nfs/dbraw/zinc/69/65/64/335696564.db2.gz	CQFKSRGJIKTDKV-KXUCPTDWSA-N	-1	0	289.357	0.260	20	30		CCEDRM
C=C[C@H](CCC(=O)[O-])NS(=O)(=O)c1cncc(C#N)c1	ZINC000581473189	336085891	/nfs/dbraw/zinc/08/58/91/336085891.db2.gz	OPIRPTAUGSPYTI-SNVBAGLBSA-N	-1	0	295.320	0.651	20	30		CCEDRM
CCOC(=O)c1cc(=NC(=O)c2cc(C#N)ccn2)[nH][n-]1	ZINC000581567068	336104240	/nfs/dbraw/zinc/10/42/40/336104240.db2.gz	FQXFQNSIGSLCIX-UHFFFAOYSA-N	-1	0	285.263	0.527	20	30		CCEDRM
CCN([C@H](C)CC(=O)[O-])S(=O)(=O)c1cncc(C#N)c1	ZINC000383919966	336119224	/nfs/dbraw/zinc/11/92/24/336119224.db2.gz	RSDYILINBRNZQS-SECBINFHSA-N	-1	0	297.336	0.827	20	30		CCEDRM
CC(C)n1cc(C#N)c(=NC(=O)C(=O)NC2CCC2)[n-]1	ZINC000359241484	519932242	/nfs/dbraw/zinc/93/22/42/519932242.db2.gz	DVGZFCHLPUJDAQ-UHFFFAOYSA-N	-1	0	275.312	0.365	20	30		CCEDRM
N#CCC1(CS(=O)(=O)[N-]CC(F)(F)CO)CC1	ZINC000331810704	534587964	/nfs/dbraw/zinc/58/79/64/534587964.db2.gz	ZAMLBYQAZVJLRY-UHFFFAOYSA-N	-1	0	268.285	0.227	20	30		CCEDRM
O=C([O-])[C@H]1CN(C(=O)NCC#Cc2ccccc2)CCO1	ZINC000666513533	545124597	/nfs/dbraw/zinc/12/45/97/545124597.db2.gz	YKCWSTJAXIFQRF-CYBMUJFWSA-N	-1	0	288.303	0.533	20	30		CCEDRM
O=C(NCC#Cc1ccccc1)c1n[nH]c(=O)[n-]c1=O	ZINC000677948861	545378306	/nfs/dbraw/zinc/37/83/06/545378306.db2.gz	FBEZFPJITFZVSL-UHFFFAOYSA-N	-1	0	270.248	0.064	20	30		CCEDRM
C=CCOCCNC(=O)c1ccc(-c2nc(=O)o[n-]2)cc1	ZINC000679587693	545411921	/nfs/dbraw/zinc/41/19/21/545411921.db2.gz	GVVNMTCXZBSJLO-UHFFFAOYSA-N	-1	0	289.291	0.962	20	30		CCEDRM
C=CCOCCNC(=O)c1c[nH]c2nc(=O)[n-]c(=O)c-2c1	ZINC000679585804	545411951	/nfs/dbraw/zinc/41/19/51/545411951.db2.gz	FNZVEGPDLTYKDA-UHFFFAOYSA-N	-1	0	290.279	0.368	20	30		CCEDRM
COc1cc(C#N)ccc1S(=O)(=O)N[C@@H](C)CC(=O)[O-]	ZINC000362002552	536884821	/nfs/dbraw/zinc/88/48/21/536884821.db2.gz	SCOZLCKKOIHSNY-QMMMGPOBSA-N	-1	0	298.320	0.708	20	30		CCEDRM
CC#CC[C@H](NS(=O)(=O)CC[C@@H]1CCCO1)C(=O)[O-]	ZINC000681579716	545456871	/nfs/dbraw/zinc/45/68/71/545456871.db2.gz	RHDUUQHTFVRSOK-QWRGUYRKSA-N	-1	0	289.353	0.342	20	30		CCEDRM
O=C([O-])[C@@H]1CC[C@@H](C(=O)NCC#Cc2ccccc2)O1	ZINC000682521214	545481988	/nfs/dbraw/zinc/48/19/88/545481988.db2.gz	ALBSXNFHJDNBHC-STQMWFEESA-N	-1	0	273.288	0.787	20	30		CCEDRM
CCN(C)S(=O)(=O)[N-]C(=O)c1cccc(F)c1C#N	ZINC000778651620	581161697	/nfs/dbraw/zinc/16/16/97/581161697.db2.gz	PPCPRMAHXFNSFG-UHFFFAOYSA-N	-1	0	285.300	0.624	20	30		CCEDRM
CC[C@H](C)[C@H](NC(=O)[O-])C(=O)N1CCO[C@@H](C#N)C1	ZINC000739225464	581208330	/nfs/dbraw/zinc/20/83/30/581208330.db2.gz	ADXDMJLPNHKRDN-GUBZILKMSA-N	-1	0	269.301	0.420	20	30		CCEDRM
N#Cc1ccc(S(=O)(=O)NC/C=C\C(=O)[O-])c(F)c1	ZINC000788444888	581111475	/nfs/dbraw/zinc/11/14/75/581111475.db2.gz	FKOCPUAGUUMSMC-UPHRSURJSA-N	-1	0	284.268	0.616	20	30		CCEDRM
COc1ccc(C=NN[C@@H]2CCOC2)c(OCC(=O)[O-])c1	ZINC000788449505	581112066	/nfs/dbraw/zinc/11/20/66/581112066.db2.gz	ZONPHRGKASESGO-LLVKDONJSA-N	-1	0	294.307	0.871	20	30		CCEDRM
C=CC[C@H](NS(=O)(=O)c1cnn(CC2CC2)c1)C(=O)[O-]	ZINC000777908223	581138439	/nfs/dbraw/zinc/13/84/39/581138439.db2.gz	HGIQSQUWIGQFCP-NSHDSACASA-N	-1	0	299.352	0.601	20	30		CCEDRM
N#CCN(CC(=O)[O-])C(=O)C(=O)c1ccc2c(c1)CCC2	ZINC000739075550	581170498	/nfs/dbraw/zinc/17/04/98/581170498.db2.gz	HUCKUALAAWENIB-UHFFFAOYSA-N	-1	0	286.287	0.795	20	30		CCEDRM
COC[C@](C)([N-]S(=O)(=O)CC(C)(C)C#N)C(=O)OC	ZINC000790038286	581172986	/nfs/dbraw/zinc/17/29/86/581172986.db2.gz	RYTBCCHLNMJJKG-NSHDSACASA-N	-1	0	292.357	0.034	20	30		CCEDRM
N#CCN(Cn1nc(C(=O)[O-])ccc1=O)C1CCCC1	ZINC000739085794	581174937	/nfs/dbraw/zinc/17/49/37/581174937.db2.gz	KRKPZJLCYUJBIE-UHFFFAOYSA-N	-1	0	276.296	0.667	20	30		CCEDRM
COCCNC(=O)C(C#N)=C([O-])c1ccnc(SC)c1	ZINC000779196883	581176773	/nfs/dbraw/zinc/17/67/73/581176773.db2.gz	JGXRBHSAKFIOJR-JTQLQIEISA-N	-1	0	293.348	0.889	20	30		CCEDRM
Cc1noc(C)c1CC(=O)N(CC#N)CC(=O)[O-]	ZINC000738940864	581209726	/nfs/dbraw/zinc/20/97/26/581209726.db2.gz	PCYNVXRRVXOWAW-UHFFFAOYSA-N	-1	0	251.242	0.271	20	30		CCEDRM
COCCNC(=O)C(C#N)=C([O-])c1cnn(C)c1SC	ZINC000791770671	581233458	/nfs/dbraw/zinc/23/34/58/581233458.db2.gz	DBPXKOOFOXPKRL-MRVPVSSYSA-N	-1	0	296.352	0.227	20	30		CCEDRM
CCn1nc(C)cc1C([O-])=C(C#N)C(=O)NCCOC	ZINC000726319915	581236750	/nfs/dbraw/zinc/23/67/50/581236750.db2.gz	PWAOEOTVIDBDAP-JTQLQIEISA-N	-1	0	278.312	0.297	20	30		CCEDRM
N#CCSCC(=O)[N-]S(=O)(=O)C[C@@H]1CCCCO1	ZINC000726348914	581237831	/nfs/dbraw/zinc/23/78/31/581237831.db2.gz	AZEJKXLMPGIXFM-VIFPVBQESA-N	-1	0	292.382	0.258	20	30		CCEDRM
C#CCCCCCC(=O)N1CCO[C@H](c2nnn[n-]2)C1	ZINC000780932195	581250271	/nfs/dbraw/zinc/25/02/71/581250271.db2.gz	LEINCSIFPLPCNS-NSHDSACASA-N	-1	0	277.328	0.683	20	30		CCEDRM
CC(=O)N1CSC[C@H]1C(=O)Nc1nc(C#N)c(C#N)[n-]1	ZINC000726798456	581252889	/nfs/dbraw/zinc/25/28/89/581252889.db2.gz	XLOAYCZTUHJLPQ-VIFPVBQESA-N	-1	0	290.308	0.013	20	30		CCEDRM
COc1ccc(S(=O)(=O)N(CC#N)CC(=O)[O-])cc1	ZINC000738058110	581266039	/nfs/dbraw/zinc/26/60/39/581266039.db2.gz	KVZCFICSRINDKE-UHFFFAOYSA-N	-1	0	284.293	0.294	20	30		CCEDRM
CCCn1cc(C(=O)[N-]S(=O)(=O)CC(C)(C)C#N)cn1	ZINC000781835329	581278305	/nfs/dbraw/zinc/27/83/05/581278305.db2.gz	ORQQUKGMNBCSTA-UHFFFAOYSA-N	-1	0	298.368	0.902	20	30		CCEDRM
COC1(C(=O)[N-]S(=O)(=O)CCCC#N)CCC1	ZINC000781836627	581278339	/nfs/dbraw/zinc/27/83/39/581278339.db2.gz	XCJXXPMJQRLMSA-UHFFFAOYSA-N	-1	0	260.315	0.305	20	30		CCEDRM
CC[C@H](NN=C1C(=O)Nc2ccc(OC)cc21)C(=O)[O-]	ZINC000793057547	581282764	/nfs/dbraw/zinc/28/27/64/581282764.db2.gz	NUSOHQMXAWECDX-VIFPVBQESA-N	-1	0	277.280	0.804	20	30		CCEDRM
CC[C@H](NN=Cc1ncc(C2OCCO2)s1)C(=O)[O-]	ZINC000793079913	581283708	/nfs/dbraw/zinc/28/37/08/581283708.db2.gz	VCFIJWMMNKAWJZ-ZETCQYMHSA-N	-1	0	285.325	0.975	20	30		CCEDRM
CS/C=C/C(=O)[N-]S(=O)(=O)CC1(C#N)CC1	ZINC000793194494	581287778	/nfs/dbraw/zinc/28/77/78/581287778.db2.gz	MUNABIJQDAIAOY-GORDUTHDSA-N	-1	0	260.340	0.613	20	30		CCEDRM
C[C@@H](CO)NN=Cc1cccc(OCC(=O)[O-])c1	ZINC000749815605	581305831	/nfs/dbraw/zinc/30/58/31/581305831.db2.gz	HMKWRQZRCXMLAQ-VIFPVBQESA-N	-1	0	252.270	0.454	20	30		CCEDRM
Cc1ccc(C#N)cc1S(=O)(=O)[N-]C(=O)C1(C)COC1	ZINC000782606091	581312980	/nfs/dbraw/zinc/31/29/80/581312980.db2.gz	JEGLRUJDIXJONC-UHFFFAOYSA-N	-1	0	294.332	0.708	20	30		CCEDRM
N#CCNC(=O)CN1CCC([C@@H]2CCCN2C(=O)[O-])CC1	ZINC000740305718	581322520	/nfs/dbraw/zinc/32/25/20/581322520.db2.gz	UFBFHSBMKDHSHC-LBPRGKRZSA-N	-1	0	294.355	0.481	20	30		CCEDRM
N#CCc1ccc(NC(=O)[C@H]2C[C@H](O)CN2C(=O)[O-])cc1	ZINC000740309800	581323834	/nfs/dbraw/zinc/32/38/34/581323834.db2.gz	BQQWWWPQAKPNBU-NWDGAFQWSA-N	-1	0	289.291	0.804	20	30		CCEDRM
N#Cc1ccc(CNC(=O)COCCNC(=O)[O-])c(F)c1	ZINC000740313788	581324908	/nfs/dbraw/zinc/32/49/08/581324908.db2.gz	YFGBIOQSRBLDDD-UHFFFAOYSA-N	-1	0	295.270	0.598	20	30		CCEDRM
C#CCSCCNC(=O)[C@H]1CCC[C@H]1NC(=O)[O-]	ZINC000738470275	581343755	/nfs/dbraw/zinc/34/37/55/581343755.db2.gz	NPNWTSISBSWLGB-VHSXEESVSA-N	-1	0	270.354	0.905	20	30		CCEDRM
C#CCOCCNC(=O)CC1(C(=O)[O-])CCCC1	ZINC000783685048	581356100	/nfs/dbraw/zinc/35/61/00/581356100.db2.gz	KFJCBSQWFKYHDX-UHFFFAOYSA-N	-1	0	253.298	0.788	20	30		CCEDRM
C=CCOCC(=O)N1CC[C@H](CN(C)C(=O)[O-])C1	ZINC000738491115	581360336	/nfs/dbraw/zinc/36/03/36/581360336.db2.gz	IAMJGYZLEVJSOC-SNVBAGLBSA-N	-1	0	256.302	0.647	20	30		CCEDRM
Cc1nnc(NN=C2CCCc3nn(C)cc32)[n-]c1=O	ZINC000794473885	581371117	/nfs/dbraw/zinc/37/11/17/581371117.db2.gz	CXIDYGPLJSVASH-UHFFFAOYSA-N	-1	0	273.300	0.772	20	30		CCEDRM
O=C([O-])Cn1cc(C=NNCCC(F)(F)F)nn1	ZINC000794551606	581376248	/nfs/dbraw/zinc/37/62/48/581376248.db2.gz	DEEQQJLWPFBYRL-UHFFFAOYSA-N	-1	0	265.195	0.239	20	30		CCEDRM
Cc1cnn(C)c1C=CC([O-])=C1C(=O)C=C(C)OC1=O	ZINC000794692009	581383837	/nfs/dbraw/zinc/38/38/37/581383837.db2.gz	SPRGXTVDHODRAP-DSYXLKISSA-N	-1	0	274.276	0.957	20	30		CCEDRM
C[C@H]1C[C@@H](C(=O)[N-]S(=O)(=O)c2ccc(C#N)cc2)CO1	ZINC000784481735	581385942	/nfs/dbraw/zinc/38/59/42/581385942.db2.gz	FPKPMVFYYPUSHQ-GXSJLCMTSA-N	-1	0	294.332	0.788	20	30		CCEDRM
C[C@@H]1COC(=O)C1=NN=c1ccc([N+](=O)[O-])c[n-]1	ZINC000794894060	581390449	/nfs/dbraw/zinc/39/04/49/581390449.db2.gz	CCCUZOOVLKOXCZ-ZCFIWIBFSA-N	-1	0	250.214	0.951	20	30		CCEDRM
C=CCS(=O)(=O)[N-]C(=O)C(C)(C)c1cnn(C)c1	ZINC000784900065	581397602	/nfs/dbraw/zinc/39/76/02/581397602.db2.gz	KRYBKXPLLIQWSN-UHFFFAOYSA-N	-1	0	271.342	0.330	20	30		CCEDRM
COC(C)(C)CC(=O)[N-]S(=O)(=O)CC(C)(C)C#N	ZINC000786481176	581442043	/nfs/dbraw/zinc/44/20/43/581442043.db2.gz	UYJFMNPSDWCPKK-UHFFFAOYSA-N	-1	0	276.358	0.797	20	30		CCEDRM
COCCNC(=O)C(C#N)=C([O-])c1ccnc(C#N)c1	ZINC000796634887	581446750	/nfs/dbraw/zinc/44/67/50/581446750.db2.gz	VTXCQIJGOYMHPB-LLVKDONJSA-N	-1	0	272.264	0.038	20	30		CCEDRM
COCCNC(=O)C(C#N)=C([O-])c1occ2c1CCOC2	ZINC000796788336	581450456	/nfs/dbraw/zinc/45/04/56/581450456.db2.gz	JGSIPUYMEVEXOG-LLVKDONJSA-N	-1	0	292.291	0.437	20	30		CCEDRM
CNC(=O)C(C#N)=C([O-])c1ccnc(NC(=O)C2CC2)c1	ZINC000796796539	581450870	/nfs/dbraw/zinc/45/08/70/581450870.db2.gz	DWWPNNGMVRDJLG-SNVBAGLBSA-N	-1	0	286.291	0.499	20	30		CCEDRM
C=CCC(C)(C)C(=O)[N-]S(=O)(=O)[C@H](C)C(=O)OC	ZINC000797059865	581458654	/nfs/dbraw/zinc/45/86/54/581458654.db2.gz	CSLILCRBJRLKRX-MRVPVSSYSA-N	-1	0	277.342	0.596	20	30		CCEDRM
C=CCCCC(=O)[N-]S(=O)(=O)[C@H](C)C(=O)OC	ZINC000797299642	581464386	/nfs/dbraw/zinc/46/43/86/581464386.db2.gz	RAAVXPQNXNKINS-MRVPVSSYSA-N	-1	0	263.315	0.350	20	30		CCEDRM
N#Cc1ccc(NCC(=O)NCCSCC(=O)[O-])cc1	ZINC000739121458	581507847	/nfs/dbraw/zinc/50/78/47/581507847.db2.gz	QOXWHMYWHHXLIP-UHFFFAOYSA-N	-1	0	293.348	0.904	20	30		CCEDRM
N#Cc1ccc([C@H](OC(=O)c2nccnc2N)C(=O)[O-])cc1	ZINC000739119327	581507858	/nfs/dbraw/zinc/50/78/58/581507858.db2.gz	ZJDAGEMOGSGMRX-NSHDSACASA-N	-1	0	298.258	0.913	20	30		CCEDRM
CNC(=O)C(C#N)=C([O-])c1ccc(-n2cccc2)nc1	ZINC000753400713	581539350	/nfs/dbraw/zinc/53/93/50/581539350.db2.gz	SVMMOSWUYMYHSU-LLVKDONJSA-N	-1	0	268.276	0.941	20	30		CCEDRM
C=CCNC(=O)C(C#N)=C([O-])c1cn2ccccc2n1	ZINC000729070180	581546553	/nfs/dbraw/zinc/54/65/53/581546553.db2.gz	QXISJEJAKWCJIS-SNVBAGLBSA-N	-1	0	268.276	0.959	20	30		CCEDRM
CN(CC(=O)[C@@H](C#N)C(=O)Nc1ccccc1)C(=O)[O-]	ZINC000739618088	581582037	/nfs/dbraw/zinc/58/20/37/581582037.db2.gz	WARSGMJNLLORPL-SNVBAGLBSA-N	-1	0	275.264	0.944	20	30		CCEDRM
CN(C[C@H]1CCN(C(=O)CSCC#N)C1)C(=O)[O-]	ZINC000739643886	581586348	/nfs/dbraw/zinc/58/63/48/581586348.db2.gz	BCCTVQMQBPHZHY-SECBINFHSA-N	-1	0	271.342	0.701	20	30		CCEDRM
C=CCOCC(=O)[N-]S(=O)(=O)c1ccccc1F	ZINC000729887547	581618136	/nfs/dbraw/zinc/61/81/36/581618136.db2.gz	YQALBIKKYDXBEM-UHFFFAOYSA-N	-1	0	273.285	0.833	20	30		CCEDRM
C=CCOCC(=O)[N-]S(=O)(=O)N1CCCCC1	ZINC000729893826	581619427	/nfs/dbraw/zinc/61/94/27/581619427.db2.gz	OXJNOAWYMMISEN-UHFFFAOYSA-N	-1	0	262.331	0.036	20	30		CCEDRM
COCCN(CC(=O)N(CC#N)C1CC1)C(=O)[O-]	ZINC000739818184	581623517	/nfs/dbraw/zinc/62/35/17/581623517.db2.gz	YGUPFERJVFORPI-UHFFFAOYSA-N	-1	0	255.274	0.127	20	30		CCEDRM
CCOCCCNC(=O)C(C#N)=C([O-])c1ocnc1C	ZINC000755599199	581648166	/nfs/dbraw/zinc/64/81/66/581648166.db2.gz	NIYQIMZTVJRUMX-JTQLQIEISA-N	-1	0	279.296	0.848	20	30		CCEDRM
CC#CCS(=O)(=O)[N-]C(=O)CC[C@@H]1CCCCO1	ZINC000788071979	581650036	/nfs/dbraw/zinc/65/00/36/581650036.db2.gz	RYNCGVZLGJDECV-NSHDSACASA-N	-1	0	273.354	0.805	20	30		CCEDRM
N#C[C@H](C(=O)CSCC(=O)[O-])C(=O)Nc1ccccn1	ZINC000740302882	581662033	/nfs/dbraw/zinc/66/20/33/581662033.db2.gz	FFVLNFZPMUKTTN-MRVPVSSYSA-N	-1	0	293.304	0.547	20	30		CCEDRM
N#C[C@H](NC(=O)c1csc(CNC(=O)[O-])n1)C1CC1	ZINC000740304575	581662204	/nfs/dbraw/zinc/66/22/04/581662204.db2.gz	WJQCQSOBWAJBTF-ZETCQYMHSA-N	-1	0	280.309	0.943	20	30		CCEDRM
N#CC1(C(=O)N2CCC(CNC(=O)[O-])CC2)CCOCC1	ZINC000740309721	581664060	/nfs/dbraw/zinc/66/40/60/581664060.db2.gz	MMOWFDASQDMBGL-UHFFFAOYSA-N	-1	0	295.339	0.813	20	30		CCEDRM
N#Cc1ccc(COC(=O)COCCNC(=O)[O-])cc1	ZINC000740313892	581664804	/nfs/dbraw/zinc/66/48/04/581664804.db2.gz	AKJWDVREXBEALY-UHFFFAOYSA-N	-1	0	278.264	0.886	20	30		CCEDRM
N#Cc1ccccc1S(=O)(=O)N1CC[C@H](NC(=O)[O-])C1	ZINC000740321902	581665012	/nfs/dbraw/zinc/66/50/12/581665012.db2.gz	KHOQLPJZYTXNFD-JTQLQIEISA-N	-1	0	295.320	0.589	20	30		CCEDRM
N#Cc1ccc(NCC(=O)N2CC[C@H](NC(=O)[O-])C2)cc1	ZINC000740316571	581665039	/nfs/dbraw/zinc/66/50/39/581665039.db2.gz	MLIXVLQDLORPCZ-LBPRGKRZSA-N	-1	0	288.307	0.839	20	30		CCEDRM
COc1ccnc(C([O-])=C(C#N)C(=O)NC(C)C)c1	ZINC000735911666	581670943	/nfs/dbraw/zinc/67/09/43/581670943.db2.gz	SPQYFAVROXYZKD-JTQLQIEISA-N	-1	0	261.281	0.937	20	30		CCEDRM
C#CCN1CCN(C(=O)[C@H](CC(C)C)NC(=O)[O-])CC1	ZINC000736078490	581685985	/nfs/dbraw/zinc/68/59/85/581685985.db2.gz	AGNNFFHVSWUMCY-LBPRGKRZSA-N	-1	0	281.356	0.446	20	30		CCEDRM
C#CCCNC(=O)Cc1[nH]c(C(C)=O)c(C)c1C(=O)[O-]	ZINC000736077906	581685991	/nfs/dbraw/zinc/68/59/91/581685991.db2.gz	ZZTUPJUXZUNIAB-UHFFFAOYSA-N	-1	0	276.292	0.906	20	30		CCEDRM
C[C@H](C#N)NC(=O)CN(C[C@@H]1CCCO1)C(=O)[O-]	ZINC000738605369	581686081	/nfs/dbraw/zinc/68/60/81/581686081.db2.gz	UXEKBRKQFJIKDC-BDAKNGLRSA-N	-1	0	255.274	0.174	20	30		CCEDRM
C#CCCNC(=O)C(=O)Nc1ccc(F)c(NC(=O)[O-])c1	ZINC000736076268	581694804	/nfs/dbraw/zinc/69/48/04/581694804.db2.gz	DGPNOMRLGREAKC-UHFFFAOYSA-N	-1	0	293.254	0.994	20	30		CCEDRM
C=CCNC(=O)COC(=O)CCCN(C)C(=O)[O-]	ZINC000736106313	581696690	/nfs/dbraw/zinc/69/66/90/581696690.db2.gz	YQDDJUJNQAJLHU-UHFFFAOYSA-N	-1	0	258.274	0.222	20	30		CCEDRM
C#CCOc1ccc(NC(=O)C(=O)NCCC(=O)[O-])cc1	ZINC000736090047	581701401	/nfs/dbraw/zinc/70/14/01/581701401.db2.gz	SWRUJWSHMSODPS-UHFFFAOYSA-N	-1	0	290.275	0.228	20	30		CCEDRM
C=CCOCC(=O)Nc1ccc(C(=O)NCC(=O)[O-])cc1	ZINC000736109678	581702833	/nfs/dbraw/zinc/70/28/33/581702833.db2.gz	WNSGLQINBFLBHC-UHFFFAOYSA-N	-1	0	292.291	0.642	20	30		CCEDRM
CC(C)[C@](C)(C#N)NC(=O)[C@@H](C)N1CCO[C@@H](C(=O)[O-])C1	ZINC000736212482	581715535	/nfs/dbraw/zinc/71/55/35/581715535.db2.gz	SPGQEAJWBIYSQR-GYSYKLTISA-N	-1	0	297.355	0.215	20	30		CCEDRM
C[C@@H](Oc1cccc(C=NN2C(=O)CNC2=O)c1)C(=O)[O-]	ZINC000770615903	581756374	/nfs/dbraw/zinc/75/63/74/581756374.db2.gz	JFIJUGQDSJFWQZ-MRVPVSSYSA-N	-1	0	291.263	0.424	20	30		CCEDRM
CC(C)CCO[C@H](C)C(=O)N(CC#N)CC(=O)[O-]	ZINC000736432225	581765195	/nfs/dbraw/zinc/76/51/95/581765195.db2.gz	STKFWVMSWXTXGO-SNVBAGLBSA-N	-1	0	256.302	0.874	20	30		CCEDRM
N#CC1(CS(=O)(=O)[N-]C(=O)C2CCC2)CCC1	ZINC000771055205	581787885	/nfs/dbraw/zinc/78/78/85/581787885.db2.gz	GKHCRAHLZQONKJ-UHFFFAOYSA-N	-1	0	256.327	0.926	20	30		CCEDRM
N#CC1(CS(=O)(=O)[N-]C(=O)[C@@H]2CCCCO2)CCC1	ZINC000771073549	581789131	/nfs/dbraw/zinc/78/91/31/581789131.db2.gz	CJZNMBPUIOHQOR-JTQLQIEISA-N	-1	0	286.353	0.695	20	30		CCEDRM
C#CCCCC(=O)[N-]S(=O)(=O)CCCC(=O)OC	ZINC000759513214	581802470	/nfs/dbraw/zinc/80/24/70/581802470.db2.gz	ADVFEFFCHILQFF-UHFFFAOYSA-N	-1	0	275.326	0.189	20	30		CCEDRM
C#CCCCC(=O)[N-]S(=O)(=O)c1cnn(CC)c1	ZINC000759559481	581807573	/nfs/dbraw/zinc/80/75/73/581807573.db2.gz	QYIDMZZFLBACMA-UHFFFAOYSA-N	-1	0	269.326	0.511	20	30		CCEDRM
N#Cc1ccc([O-])c(NC(=O)c2[nH]c(=O)[nH]c(=O)c2N)c1	ZINC000759712965	581817306	/nfs/dbraw/zinc/81/73/06/581817306.db2.gz	CNNCRWYSYAHCDO-UHFFFAOYSA-N	-1	0	287.235	0.300	20	30		CCEDRM
CC(C)[C@@](C)(C#N)NC(=O)[C@H](C)OC(=O)CCNC(=O)[O-]	ZINC000736688071	581818280	/nfs/dbraw/zinc/81/82/80/581818280.db2.gz	MPIJUEGTWIBUAH-TVQRCGJNSA-N	-1	0	299.327	0.630	20	30		CCEDRM
C[C@@H](OC(=O)CCCNC(=O)[O-])C(=O)N(C)CCC#N	ZINC000736692198	581820245	/nfs/dbraw/zinc/82/02/45/581820245.db2.gz	YFKMZNFTDVKENA-SECBINFHSA-N	-1	0	285.300	0.338	20	30		CCEDRM
C[C@H](OC[C@H]1CCCO1)C(=O)N(CC#N)CC(=O)[O-]	ZINC000736697804	581820705	/nfs/dbraw/zinc/82/07/05/581820705.db2.gz	SHWNIKSCDRVPIJ-VHSXEESVSA-N	-1	0	270.285	0.007	20	30		CCEDRM
C[C@H](OC[C@@H]1CCCCO1)C(=O)N(CC#N)CC(=O)[O-]	ZINC000736696274	581820853	/nfs/dbraw/zinc/82/08/53/581820853.db2.gz	JYGHHKMHZRVYQW-QWRGUYRKSA-N	-1	0	284.312	0.397	20	30		CCEDRM
CNC(=O)c1cccc(C([O-])=C(C#N)C(=O)NC(C)C)c1	ZINC000744033481	581830344	/nfs/dbraw/zinc/83/03/44/581830344.db2.gz	RQPSNFVMKJDWPF-GFCCVEGCSA-N	-1	0	287.319	0.893	20	30		CCEDRM
CCOCCS(=O)(=O)[N-]C(=O)Cc1ccc(C#N)cc1	ZINC000732507695	581832237	/nfs/dbraw/zinc/83/22/37/581832237.db2.gz	FXRPPHGFFARNAZ-UHFFFAOYSA-N	-1	0	296.348	0.583	20	30		CCEDRM
COCCS(=O)(=O)[N-]C(=O)Cc1ccc(C#N)cc1	ZINC000732523444	581833271	/nfs/dbraw/zinc/83/32/71/581833271.db2.gz	ZQRGCNDWFZDBMQ-UHFFFAOYSA-N	-1	0	282.321	0.193	20	30		CCEDRM
COC(=O)c1cncc(C([O-])=C(C#N)C(=O)NC(C)C)c1	ZINC000760181973	581848111	/nfs/dbraw/zinc/84/81/11/581848111.db2.gz	DLBKBRCGKBZJQF-NSHDSACASA-N	-1	0	289.291	0.715	20	30		CCEDRM
C=CCS(=O)(=O)[N-]C(=O)c1cc2c(cc1OC)OCO2	ZINC000760251031	581851496	/nfs/dbraw/zinc/85/14/96/581851496.db2.gz	IDCHKHMVBMRNKU-UHFFFAOYSA-N	-1	0	299.304	0.670	20	30		CCEDRM
N#Cc1nc(NC(=O)c2cncc(Cl)n2)[n-]c1C#N	ZINC000760789487	581872613	/nfs/dbraw/zinc/87/26/13/581872613.db2.gz	NNANXELYJBGKJC-UHFFFAOYSA-N	-1	0	273.643	0.849	20	30		CCEDRM
CCC[C@@H](C)N1C[C@@H](C(=O)N(CC#N)CC(=O)[O-])CC1=O	ZINC000736964751	581874151	/nfs/dbraw/zinc/87/41/51/581874151.db2.gz	IJRAWWCFQUKISD-MNOVXSKESA-N	-1	0	295.339	0.460	20	30		CCEDRM
C=CCS(=O)(=O)[N-]C(=O)c1cccc(C(N)=O)c1	ZINC000772715290	581885438	/nfs/dbraw/zinc/88/54/38/581885438.db2.gz	ICSYFPIUNPGLPB-UHFFFAOYSA-N	-1	0	268.294	0.031	20	30		CCEDRM
C=CCS(=O)(=O)[N-]C(=O)c1cncnc1C(C)C	ZINC000772715887	581886090	/nfs/dbraw/zinc/88/60/90/581886090.db2.gz	ZFQLTSPRAVZCNA-UHFFFAOYSA-N	-1	0	269.326	0.846	20	30		CCEDRM
C=CCS(=O)(=O)[N-]C(=O)c1ccc([N+](=O)[O-])[nH]1	ZINC000772720078	581886220	/nfs/dbraw/zinc/88/62/20/581886220.db2.gz	ANCISZCVMSMTKB-UHFFFAOYSA-N	-1	0	259.243	0.169	20	30		CCEDRM
CS(=O)(=O)CCNN=Cc1ccc([O-])c([N+](=O)[O-])c1	ZINC000733205639	581890649	/nfs/dbraw/zinc/89/06/49/581890649.db2.gz	DSFPFARCMGCRGB-UHFFFAOYSA-N	-1	0	287.297	0.269	20	30		CCEDRM
Cc1nc(CCC(=O)N(CC#N)CC(=O)[O-])cs1	ZINC000738852501	581894054	/nfs/dbraw/zinc/89/40/54/581894054.db2.gz	XGZQPXUIXYNHQM-UHFFFAOYSA-N	-1	0	267.310	0.821	20	30		CCEDRM
CCN(CC#N)CC(=O)N[C@H](CC(C)C)C(=O)[O-]	ZINC000737067651	581895374	/nfs/dbraw/zinc/89/53/74/581895374.db2.gz	JZJYGXUDCDACPF-SNVBAGLBSA-N	-1	0	255.318	0.447	20	30		CCEDRM
CC#CC[C@@H](NS(=O)(=O)CCC(C)C)C(=O)[O-]	ZINC000274966842	581936964	/nfs/dbraw/zinc/93/69/64/581936964.db2.gz	IHDWIAQIANHDHP-SNVBAGLBSA-N	-1	0	261.343	0.819	20	30		CCEDRM
CN(C(=O)Cn1cnc(C(=O)[O-])n1)C1(C#N)CCCCC1	ZINC000737327516	581945080	/nfs/dbraw/zinc/94/50/80/581945080.db2.gz	NNVOIHLALQHHST-UHFFFAOYSA-N	-1	0	291.311	0.661	20	30		CCEDRM
CN(C)C(=O)CCCCn1cc(C(=O)[O-])cc(C#N)c1=O	ZINC000737347260	581946878	/nfs/dbraw/zinc/94/68/78/581946878.db2.gz	GXFNKGSLQNLOTQ-UHFFFAOYSA-N	-1	0	291.307	0.677	20	30		CCEDRM
CC(C)(C#N)CS(=O)(=O)[N-]C(=O)c1nccs1	ZINC000774172405	581963284	/nfs/dbraw/zinc/96/32/84/581963284.db2.gz	CHBNEUOXVVGLTB-UHFFFAOYSA-N	-1	0	273.339	0.752	20	30		CCEDRM
O=C1CN(N=Cc2ccc([N+](=O)[O-])c([O-])c2)C(=O)N1	ZINC000748133782	581963481	/nfs/dbraw/zinc/96/34/81/581963481.db2.gz	QGDKFVFXBXVDSO-UHFFFAOYSA-N	-1	0	264.197	0.186	20	30		CCEDRM
CN(Cc1cccc(C#N)c1)Cn1nc(C(=O)[O-])ccc1=O	ZINC000737486677	581964795	/nfs/dbraw/zinc/96/47/95/581964795.db2.gz	FXNPGFGAGJMDSS-UHFFFAOYSA-N	-1	0	298.302	0.903	20	30		CCEDRM
C=CCOCCCC(=O)[N-]S(=O)(=O)C1CCC1	ZINC000774306842	581969900	/nfs/dbraw/zinc/96/99/00/581969900.db2.gz	UJRPEDKUOJZHQY-UHFFFAOYSA-N	-1	0	261.343	0.968	20	30		CCEDRM
C=CCNC(=O)[C@H](C)OC(=O)C1CCN(C(=O)[O-])CC1	ZINC000737532538	581973595	/nfs/dbraw/zinc/97/35/95/581973595.db2.gz	QLXQPBFMSPHONN-VIFPVBQESA-N	-1	0	284.312	0.610	20	30		CCEDRM
N#Cc1ccc([O-])c(NC(=O)CN2CCC(=O)NC2=O)c1	ZINC000748411145	581974024	/nfs/dbraw/zinc/97/40/24/581974024.db2.gz	XVJJGYFUUKQLDZ-UHFFFAOYSA-N	-1	0	288.263	0.144	20	30		CCEDRM
COC(=O)CN(CCOc1ccc(C#N)cc1)CC(=O)[O-]	ZINC000737619888	581992557	/nfs/dbraw/zinc/99/25/57/581992557.db2.gz	OLIGJNFVPXCEKZ-UHFFFAOYSA-N	-1	0	292.291	0.497	20	30		CCEDRM
N#Cc1nc(NC(=O)C2CC=CC2)[n-]c1-c1nn[nH]n1	ZINC000737706777	581997306	/nfs/dbraw/zinc/99/73/06/581997306.db2.gz	ZRCTVECTCHJURW-UHFFFAOYSA-N	-1	0	270.256	0.366	20	30		CCEDRM
N#Cc1ccc([O-])c(NC(=O)c2cc(C(N)=O)c[nH]2)c1	ZINC000749545765	582011947	/nfs/dbraw/zinc/01/19/47/582011947.db2.gz	XMLHBADVNKFBPG-UHFFFAOYSA-N	-1	0	270.248	0.943	20	30		CCEDRM
O=C1CN(N=Cc2cc(F)c([O-])c(F)c2)C(=O)N1	ZINC000749859263	582025141	/nfs/dbraw/zinc/02/51/41/582025141.db2.gz	NYDORIBCHLZBOQ-UHFFFAOYSA-N	-1	0	255.180	0.556	20	30		CCEDRM
C=CCCOCC(=O)[N-]S(=O)(=O)C[C@@H](C)OC	ZINC000764206855	582036733	/nfs/dbraw/zinc/03/67/33/582036733.db2.gz	HZJIDJLCNFPVEC-SECBINFHSA-N	-1	0	265.331	0.060	20	30		CCEDRM
C#C[C@@H](NCc1cc(=O)n2[n-]ccc2n1)[C@H]1CCCO1	ZINC000775790244	582038337	/nfs/dbraw/zinc/03/83/37/582038337.db2.gz	HILAGYDGWHYLBR-VXGBXAGGSA-N	-1	0	272.308	0.293	20	30		CCEDRM
C#CCOCCC(=O)[N-]S(=O)(=O)CCC(C)(C)OC	ZINC000764311227	582041971	/nfs/dbraw/zinc/04/19/71/582041971.db2.gz	RAEYWOJQGKGWIB-UHFFFAOYSA-N	-1	0	291.369	0.287	20	30		CCEDRM
CO[C@H](C)CC(=O)[N-]S(=O)(=O)Cc1ccccc1C#N	ZINC000750385031	582042512	/nfs/dbraw/zinc/04/25/12/582042512.db2.gz	PBDRUGRVSRZEAK-SNVBAGLBSA-N	-1	0	296.348	0.929	20	30		CCEDRM
CCn1nc(C)c(C(=O)[N-]S(=O)(=O)CCCC#N)c1C	ZINC000776115703	582051898	/nfs/dbraw/zinc/05/18/98/582051898.db2.gz	RHQDRMYJDXTWIW-UHFFFAOYSA-N	-1	0	298.368	0.883	20	30		CCEDRM
C#CCNC(=O)N1CCC([C@H](C)NC(=O)[O-])CC1	ZINC000738463011	582052087	/nfs/dbraw/zinc/05/20/87/582052087.db2.gz	JAIGCVYUUDBZJU-VIFPVBQESA-N	-1	0	253.302	0.697	20	30		CCEDRM
N#CCCCS(=O)(=O)[N-]C(=O)CCOCC1CC1	ZINC000776119080	582052322	/nfs/dbraw/zinc/05/23/22/582052322.db2.gz	BOWZHNADRNRYSC-UHFFFAOYSA-N	-1	0	274.342	0.553	20	30		CCEDRM
N#CCCCS(=O)(=O)[N-]C(=O)c1cnn2ccccc12	ZINC000776118322	582052407	/nfs/dbraw/zinc/05/24/07/582052407.db2.gz	FWTKSSAONFKIBL-UHFFFAOYSA-N	-1	0	292.320	0.698	20	30		CCEDRM
COCC(C)(C)C(=O)[N-]S(=O)(=O)CCCC#N	ZINC000776124097	582052650	/nfs/dbraw/zinc/05/26/50/582052650.db2.gz	XRPDRNYDMSVGNP-UHFFFAOYSA-N	-1	0	262.331	0.409	20	30		CCEDRM
Cn1ccc(C(=O)[N-]S(=O)(=O)CCCC#N)c1	ZINC000776120942	582052754	/nfs/dbraw/zinc/05/27/54/582052754.db2.gz	BJIXKMCVRUDNQP-UHFFFAOYSA-N	-1	0	255.299	0.388	20	30		CCEDRM
C#CCN1CCC[C@H]1C(=O)NC[C@H]1CCCCN1C(=O)[O-]	ZINC000738459841	582052930	/nfs/dbraw/zinc/05/29/30/582052930.db2.gz	GFFPJVAYACNSQP-OLZOCXBDSA-N	-1	0	293.367	0.733	20	30		CCEDRM
Cc1c(C(=O)[N-]S(=O)(=O)CCCC#N)cnn1C	ZINC000776121724	582052999	/nfs/dbraw/zinc/05/29/99/582052999.db2.gz	JGKXMDPSESVQCG-UHFFFAOYSA-N	-1	0	270.314	0.092	20	30		CCEDRM
Cc1ocnc1C(=O)[N-]S(=O)(=O)CC(C)(C)C#N	ZINC000776136177	582053487	/nfs/dbraw/zinc/05/34/87/582053487.db2.gz	JQGUORZKQKOQEC-UHFFFAOYSA-N	-1	0	271.298	0.592	20	30		CCEDRM
Cc1ncccc1C(=O)[N-]S(=O)(=O)CC(C)(C)C#N	ZINC000776139283	582054046	/nfs/dbraw/zinc/05/40/46/582054046.db2.gz	WQVQZGOHVMBOLM-UHFFFAOYSA-N	-1	0	281.337	0.999	20	30		CCEDRM
C=CCCOCC(=O)N1CCN(C(=O)[O-])[C@H](C)C1	ZINC000738494020	582056057	/nfs/dbraw/zinc/05/60/57/582056057.db2.gz	WAJGTUPSFFGTGL-SNVBAGLBSA-N	-1	0	256.302	0.790	20	30		CCEDRM
C=CCNC(=O)[C@H](C)OC(=O)CN(CC)C(=O)[O-]	ZINC000738495919	582056667	/nfs/dbraw/zinc/05/66/67/582056667.db2.gz	QJYSUDVCZVAYJV-QMMMGPOBSA-N	-1	0	258.274	0.220	20	30		CCEDRM
COCCNC(=O)C(C#N)=C([O-])c1ccc2cc[nH]c2n1	ZINC000764759025	582067538	/nfs/dbraw/zinc/06/75/38/582067538.db2.gz	HUYZRPGGTASUCU-JTQLQIEISA-N	-1	0	286.291	0.648	20	30		CCEDRM
Cn1ccnc1C([O-])=C(C#N)C(=O)[C@H]1C[C@]12CCOC2	ZINC000764781593	582068713	/nfs/dbraw/zinc/06/87/13/582068713.db2.gz	DWYRJQWUZCDTSO-RULNRJAQSA-N	-1	0	273.292	0.738	20	30		CCEDRM
CC(=NOCC(N)=O)c1ccc(C(=O)[O-])c(F)c1	ZINC000776775349	582090574	/nfs/dbraw/zinc/09/05/74/582090574.db2.gz	HSCCGTBPDRPYAX-UHFFFAOYSA-N	-1	0	254.217	0.750	20	30		CCEDRM
C[C@H](NC(=O)[O-])C(=O)OCCNc1ncccc1C#N	ZINC000738993060	582095993	/nfs/dbraw/zinc/09/59/93/582095993.db2.gz	CSVGJJLVWOIRHP-QMMMGPOBSA-N	-1	0	278.268	0.564	20	30		CCEDRM
C[C@H](OC(=O)[C@@H]1CCCN1C(=O)[O-])C(=O)N(C)CCC#N	ZINC000739041374	582099084	/nfs/dbraw/zinc/09/90/84/582099084.db2.gz	ATJPBMDPEOSXEY-UWVGGRQHSA-N	-1	0	297.311	0.433	20	30		CCEDRM
Cn1nc(C(=O)N(CC#N)CC(=O)[O-])cc1C1CC1	ZINC000739057252	582099895	/nfs/dbraw/zinc/09/98/95/582099895.db2.gz	GUTSGAJLBHJUJD-UHFFFAOYSA-N	-1	0	262.269	0.348	20	30		CCEDRM
N#CC1(NS(=O)(=O)c2ccc(C(=O)[O-])s2)CC1	ZINC000739066433	582100561	/nfs/dbraw/zinc/10/05/61/582100561.db2.gz	MBVHEYSDBOICOW-UHFFFAOYSA-N	-1	0	272.307	0.781	20	30		CCEDRM
N#CCN(CC(=O)[O-])C(=O)[C@@H]1CC1(Cl)Cl	ZINC000739077216	582101519	/nfs/dbraw/zinc/10/15/19/582101519.db2.gz	KNCYKLDHRZNXLT-YFKPBYRVSA-N	-1	0	251.069	0.617	20	30		CCEDRM
N#CCN(CC(=O)[O-])C(=O)[C@@H]1CCOc2ccccc21	ZINC000739077431	582101561	/nfs/dbraw/zinc/10/15/61/582101561.db2.gz	OONFIGBANTVZGL-LLVKDONJSA-N	-1	0	274.276	0.989	20	30		CCEDRM
N#CCN(CC(=O)[O-])C(=O)c1ccc(Cn2cncn2)cc1	ZINC000739088092	582102144	/nfs/dbraw/zinc/10/21/44/582102144.db2.gz	RJPZLUBOTKMHKA-UHFFFAOYSA-N	-1	0	299.290	0.377	20	30		CCEDRM
N#CCSCC(=O)N(CCC(=O)[O-])C[C@@H]1CCCO1	ZINC000739090936	582102149	/nfs/dbraw/zinc/10/21/49/582102149.db2.gz	ATLWFKUEKAEWIU-JTQLQIEISA-N	-1	0	286.353	0.725	20	30		CCEDRM
O=C([O-])Cn1cc(CN=Nc2ccc([N+](=O)[O-])cn2)nn1	ZINC000768481460	582107257	/nfs/dbraw/zinc/10/72/57/582107257.db2.gz	ADAHMEXIBJAFCF-UHFFFAOYSA-N	-1	0	291.227	0.112	20	30		CCEDRM
O=C([O-])Cn1cc(C=NNc2ccncc2Cl)nn1	ZINC000768486169	582107372	/nfs/dbraw/zinc/10/73/72/582107372.db2.gz	YRCPHXWSGXHMSK-UHFFFAOYSA-N	-1	0	280.675	0.279	20	30		CCEDRM
C=C(Br)COC(=O)[C@@H]1CN(C(=O)[O-])CCO1	ZINC000823474349	613238948	/nfs/dbraw/zinc/23/89/48/613238948.db2.gz	OEFMBYKLLORQIA-ZETCQYMHSA-N	-1	0	294.101	0.817	20	30		CCEDRM
C#CCCCNC(=O)N1CC[C@H](CNC(=O)[O-])C1	ZINC000823445014	612981477	/nfs/dbraw/zinc/98/14/77/612981477.db2.gz	UDYUTUXTTOMGNE-SNVBAGLBSA-N	-1	0	253.302	0.699	20	30		CCEDRM
N#Cc1nc(NC(=O)CCC2CC2)[n-]c1-c1nn[nH]n1	ZINC000737706712	599107245	/nfs/dbraw/zinc/10/72/45/599107245.db2.gz	YIDLDLGCHVWIFD-UHFFFAOYSA-N	-1	0	272.272	0.590	20	30		CCEDRM
C[C@@H](C(=O)[O-])N(C)c1ncnc2c1cnn2CCC#N	ZINC000817784603	597126188	/nfs/dbraw/zinc/12/61/88/597126188.db2.gz	ANQYXCCPLRNLGA-QMMMGPOBSA-N	-1	0	274.284	0.649	20	30		CCEDRM
N#CCc1ccnc(NC(=O)CSCC(=O)[O-])c1	ZINC000819091336	597196148	/nfs/dbraw/zinc/19/61/48/597196148.db2.gz	YARGCROEDLLHGE-UHFFFAOYSA-N	-1	0	265.294	0.904	20	30		CCEDRM
C[C@@H](C(=O)[O-])N(C)C(=O)COc1cccc(C#N)c1	ZINC000817753034	597466969	/nfs/dbraw/zinc/46/69/69/597466969.db2.gz	BHBAMFQNZBUTNR-VIFPVBQESA-N	-1	0	262.265	0.869	20	30		CCEDRM
N#Cc1cccc(NC(=O)C(=O)N2CC[C@H](C(=O)[O-])C2)c1	ZINC000819106196	597521830	/nfs/dbraw/zinc/52/18/30/597521830.db2.gz	DKFMZWLNCQTXKV-JTQLQIEISA-N	-1	0	287.275	0.430	20	30		CCEDRM
C[C@@](C#N)(CC(=O)[O-])C(=O)N1CCOC2(CCC2)C1	ZINC000819821387	597605586	/nfs/dbraw/zinc/60/55/86/597605586.db2.gz	FMOYAXHOZRIHGB-LBPRGKRZSA-N	-1	0	266.297	0.772	20	30		CCEDRM
C[C@@](C#N)(CC(=O)[O-])C(=O)NC[C@H]1COC2(CCCC2)O1	ZINC000819834027	597607219	/nfs/dbraw/zinc/60/72/19/597607219.db2.gz	LPXYRHATGAKSIL-GWCFXTLKSA-N	-1	0	296.323	0.793	20	30		CCEDRM
C[C@@](C#N)(CC(=O)[O-])C(=O)Nc1ccc2nncn2c1	ZINC000819857331	597607709	/nfs/dbraw/zinc/60/77/09/597607709.db2.gz	VPHDOTQFHPOBRI-LBPRGKRZSA-N	-1	0	273.252	0.672	20	30		CCEDRM
C[C@@](C#N)(CC(=O)[O-])C(=O)OCc1noc(C2CC2)n1	ZINC000819875620	597617176	/nfs/dbraw/zinc/61/71/76/597617176.db2.gz	ZSJARJOZGJCQOS-LBPRGKRZSA-N	-1	0	279.252	0.995	20	30		CCEDRM
Cn1cccc1C(=O)COC(=O)[C@](C)(C#N)CC(=O)[O-]	ZINC000821305172	597620434	/nfs/dbraw/zinc/62/04/34/597620434.db2.gz	QJUCQIHUUGEIOA-ZDUSSCGKSA-N	-1	0	278.264	0.756	20	30		CCEDRM
C[C@](C#N)(CC(=O)[O-])C(=O)OCC1CCOCC1	ZINC000819865694	597621575	/nfs/dbraw/zinc/62/15/75/597621575.db2.gz	NLYMOYFKKVRFCB-GFCCVEGCSA-N	-1	0	255.270	0.961	20	30		CCEDRM
Cc1nnc(COC(=O)[C@@](C)(C#N)CC(=O)[O-])s1	ZINC000821224465	597625685	/nfs/dbraw/zinc/62/56/85/597625685.db2.gz	DACJUPIMRYNLEX-SNVBAGLBSA-N	-1	0	269.282	0.894	20	30		CCEDRM
C[C@](C#N)(CC(=O)[O-])C(=O)NC[C@@H](O)c1cccc(F)c1	ZINC000819833932	597639169	/nfs/dbraw/zinc/63/91/69/597639169.db2.gz	KOVNTVAAGCKZMU-BXUZGUMPSA-N	-1	0	294.282	0.980	20	30		CCEDRM
C[C@@](C#N)(CC(=O)[O-])C(=O)N1CCC[C@@H](CCC(N)=O)C1	ZINC000819810967	597642623	/nfs/dbraw/zinc/64/26/23/597642623.db2.gz	JDTDYHOTRNQEPK-HZMBPMFUSA-N	-1	0	295.339	0.495	20	30		CCEDRM
C[C@@](C#N)(CC(=O)[O-])C(=O)N1CCC[C@H](n2cncn2)C1	ZINC000819811295	597643936	/nfs/dbraw/zinc/64/39/36/597643936.db2.gz	NAMXEKCSMWLDQC-GWCFXTLKSA-N	-1	0	291.311	0.446	20	30		CCEDRM
C[C@@](C#N)(CC(=O)[O-])C(=O)N1CCO[C@@H](C(F)(F)F)C1	ZINC000819821600	597648370	/nfs/dbraw/zinc/64/83/70/597648370.db2.gz	IQJYYJGEPNRXNB-XCBNKYQSSA-N	-1	0	294.229	0.781	20	30		CCEDRM
C[C@](C#N)(CC(=O)[O-])C(=O)NC[C@H]1CCCC[C@H]1O	ZINC000819834847	597652750	/nfs/dbraw/zinc/65/27/50/597652750.db2.gz	PLSICBKIPAUSAO-GIPNMCIBSA-N	-1	0	268.313	0.658	20	30		CCEDRM
C[C@](C#N)(CC(=O)[O-])C(=O)NCc1ccc(F)cn1	ZINC000819842316	597656690	/nfs/dbraw/zinc/65/66/90/597656690.db2.gz	MNECIUAEZAEGSO-GFCCVEGCSA-N	-1	0	265.244	0.841	20	30		CCEDRM
C[C@H](CO)CCCNC(=O)[C@](C)(C#N)CC(=O)[O-]	ZINC000820101786	597659923	/nfs/dbraw/zinc/65/99/23/597659923.db2.gz	GBEUPFQHMYNICR-CABZTGNLSA-N	-1	0	256.302	0.516	20	30		CCEDRM
C[C@](C#N)(CC(=O)[O-])C(=O)NN1Cc2ccccc2C1=O	ZINC000819846398	597716193	/nfs/dbraw/zinc/71/61/93/597716193.db2.gz	CGSHMXVLHSDTDN-CQSZACIVSA-N	-1	0	287.275	0.678	20	30		CCEDRM
COc1cc(C#N)cc(Cl)c1OCC(=O)NCC(=O)[O-]	ZINC000820754455	597760739	/nfs/dbraw/zinc/76/07/39/597760739.db2.gz	DMCGRCYHHQKJOQ-UHFFFAOYSA-N	-1	0	298.682	0.800	20	30		CCEDRM
C[C@@H](C#N)CNC(=O)C(=O)Nc1ccccc1CC(=O)[O-]	ZINC000819874558	598170925	/nfs/dbraw/zinc/17/09/25/598170925.db2.gz	MTDLYRMTFKAKLU-VIFPVBQESA-N	-1	0	289.291	0.528	20	30		CCEDRM
C=CCNC(=O)CNC(=O)c1cccc(C(=O)[O-])c1	ZINC000393824733	598198147	/nfs/dbraw/zinc/19/81/47/598198147.db2.gz	MZYHRYGNVWKTQY-UHFFFAOYSA-N	-1	0	262.265	0.417	20	30		CCEDRM
Cc1onc(CC(=O)N(C)[C@H](C)C(=O)[O-])c1C#N	ZINC000821258183	598220588	/nfs/dbraw/zinc/22/05/88/598220588.db2.gz	ZNUSWXRGYXXYBJ-ZCFIWIBFSA-N	-1	0	251.242	0.329	20	30		CCEDRM
C[C@](C#N)(CC(=O)[O-])C(=O)NC[C@@H]1CCCCO1	ZINC000819833447	598225204	/nfs/dbraw/zinc/22/52/04/598225204.db2.gz	HBDGLEVHUWDJOK-JOYOIKCWSA-N	-1	0	254.286	0.676	20	30		CCEDRM
Cc1nn(C)cc1NC(=O)[C@@](C)(C#N)CC(=O)[O-]	ZINC000821209180	598228475	/nfs/dbraw/zinc/22/84/75/598228475.db2.gz	OTDDDSWOYIJIHO-LLVKDONJSA-N	-1	0	250.258	0.672	20	30		CCEDRM
C[C@](C#N)(CC(=O)[O-])C(=O)N[C@@H]1CCCn2ncnc21	ZINC000819823302	598229676	/nfs/dbraw/zinc/22/96/76/598229676.db2.gz	SPIFWAOZXWHCKF-PRHODGIISA-N	-1	0	277.284	0.234	20	30		CCEDRM
C#CCO[C@H](C)C(=O)N[C@@H](C(=O)[O-])c1cccc(O)c1	ZINC000911443529	613002497	/nfs/dbraw/zinc/00/24/97/613002497.db2.gz	KRXKIKRYXACBJN-BXKDBHETSA-N	-1	0	277.276	0.672	20	30		CCEDRM
C#CC(=O)NC[C@H](Cc1ccccc1OC)C(=O)[O-]	ZINC000833361047	612945670	/nfs/dbraw/zinc/94/56/70/612945670.db2.gz	VSXTTXGAWIJVMR-NSHDSACASA-N	-1	0	261.277	0.688	20	30		CCEDRM
N#C[C@H]1CN(S(=O)(=O)c2ccc(C(=O)[O-])cc2)CCO1	ZINC000093932570	599980923	/nfs/dbraw/zinc/98/09/23/599980923.db2.gz	KZAMFRTUHRMRCK-JTQLQIEISA-N	-1	0	296.304	0.298	20	30		CCEDRM
C#CCNC(=O)[C@H](C)N1Cc2ccc(C(=O)[O-])cc2C1	ZINC000156918645	600084049	/nfs/dbraw/zinc/08/40/49/600084049.db2.gz	JJHXWCBIEBYIDR-JTQLQIEISA-N	-1	0	272.304	0.838	20	30		CCEDRM
C#CCNC(=O)N[C@@H]1CCCC[C@H]1CNC(=O)[O-]	ZINC000823455953	612947059	/nfs/dbraw/zinc/94/70/59/612947059.db2.gz	IDYPQVPXEPZKGV-VHSXEESVSA-N	-1	0	253.302	0.745	20	30		CCEDRM
C[C@H]1CC[C@@H](CCC(=O)N(CC#N)CC(=O)[O-])O1	ZINC000828221273	600787655	/nfs/dbraw/zinc/78/76/55/600787655.db2.gz	LJLWMMOXEPBRHU-UWVGGRQHSA-N	-1	0	254.286	0.771	20	30		CCEDRM
C[C@@H](CC(=O)N(CC#N)CC(=O)[O-])NC(=O)OC(C)(C)C	ZINC000827218116	600891011	/nfs/dbraw/zinc/89/10/11/600891011.db2.gz	NPMUFRPRCAJTNN-VIFPVBQESA-N	-1	0	299.327	0.726	20	30		CCEDRM
N#CCN(CC(=O)[O-])CC(=O)Nc1nc2c(s1)CCC2	ZINC000833066975	601002839	/nfs/dbraw/zinc/00/28/39/601002839.db2.gz	MVCSNKQTYYJQNT-UHFFFAOYSA-N	-1	0	294.336	0.480	20	30		CCEDRM
N#CCN(CCOc1cccc(C#N)c1)CC(=O)[O-]	ZINC000833066552	601004911	/nfs/dbraw/zinc/00/49/11/601004911.db2.gz	AZICMUVSMPIAGG-UHFFFAOYSA-N	-1	0	259.265	0.847	20	30		CCEDRM
N#CCN(CC(=O)[O-])CC(=O)NCC1CCCCC1	ZINC000833065681	601005114	/nfs/dbraw/zinc/00/51/14/601005114.db2.gz	FNTIYJZFOUACNO-UHFFFAOYSA-N	-1	0	267.329	0.593	20	30		CCEDRM
N#CCN(CC(=O)[O-])C[C@@H](O)COc1ccc(F)cc1	ZINC000833067844	601005581	/nfs/dbraw/zinc/00/55/81/601005581.db2.gz	YYFFSMBAXMIITD-LLVKDONJSA-N	-1	0	282.271	0.476	20	30		CCEDRM
CC(C)(C#N)CCCN1CCNC(=O)[C@@H]1CC(=O)[O-]	ZINC000087600113	601112342	/nfs/dbraw/zinc/11/23/42/601112342.db2.gz	SOWQMLHQULXBQZ-JTQLQIEISA-N	-1	0	267.329	0.591	20	30		CCEDRM
N#Cc1ccc([C@H](C(=O)[O-])N2CCN(C3CC3)C(=O)C2)cc1	ZINC000833072313	601181381	/nfs/dbraw/zinc/18/13/81/601181381.db2.gz	RKPVOKPZADLHOG-OAHLLOKOSA-N	-1	0	299.330	0.991	20	30		CCEDRM
Cc1ccc(OC[C@@H](O)CN(CC#N)CC(=O)[O-])c(C)c1	ZINC000832951638	601226468	/nfs/dbraw/zinc/22/64/68/601226468.db2.gz	QWMNHAKUNWJZPF-ZDUSSCGKSA-N	-1	0	292.335	0.953	20	30		CCEDRM
Cc1csc(=O)n1CCN(CC#N)CC(=O)[O-]	ZINC000832988739	601226963	/nfs/dbraw/zinc/22/69/63/601226963.db2.gz	FMTJGXZGVQKLKD-UHFFFAOYSA-N	-1	0	255.299	0.128	20	30		CCEDRM
C[C@H]1Cc2ccccc2N1C(=O)CN(CC#N)CC(=O)[O-]	ZINC000828515717	601227194	/nfs/dbraw/zinc/22/71/94/601227194.db2.gz	FJWRDWZKMIRTGX-NSHDSACASA-N	-1	0	287.319	0.874	20	30		CCEDRM
C[C@@H]1CCCC[C@H]1N(C)C(=O)CN(CC#N)CC(=O)[O-]	ZINC000828246063	601227355	/nfs/dbraw/zinc/22/73/55/601227355.db2.gz	QSFWZSNFEATHTJ-VXGBXAGGSA-N	-1	0	281.356	0.934	20	30		CCEDRM
CS(=O)(=O)NN=Cc1cccc2c1N(C(=O)[O-])CC2	ZINC000829691641	617176837	/nfs/dbraw/zinc/17/68/37/617176837.db2.gz	NWYRALJKFUWYJG-UHFFFAOYSA-N	-1	0	283.309	0.610	20	30		CCEDRM
CC(C)N(CCC#N)C(=O)Cn1cc(C(=O)[O-])nn1	ZINC000090716476	601279676	/nfs/dbraw/zinc/27/96/76/601279676.db2.gz	BURBQSXEEUXBQB-UHFFFAOYSA-N	-1	0	265.273	0.127	20	30		CCEDRM
Cn1ccnc(NN=Cc2ccoc2C(=O)[O-])c1=O	ZINC000833058279	601396844	/nfs/dbraw/zinc/39/68/44/601396844.db2.gz	LKTQTPWEWBYHMZ-UHFFFAOYSA-N	-1	0	262.225	0.518	20	30		CCEDRM
N#C[C@@H]1COCCN1Cn1nc(C(=O)[O-])c2ccccc21	ZINC000833062201	601401784	/nfs/dbraw/zinc/40/17/84/601401784.db2.gz	JUCHJSUEVMBOPV-SNVBAGLBSA-N	-1	0	286.291	0.916	20	30		CCEDRM
N#CCN(CC(=O)[O-])C[C@H](O)COCc1ccccc1	ZINC000833066505	601569560	/nfs/dbraw/zinc/56/95/60/601569560.db2.gz	BJJOGDOSCOVPAI-ZDUSSCGKSA-N	-1	0	278.308	0.474	20	30		CCEDRM
C[C@@H]1CN(S(=O)(=O)c2ccc(C#N)cc2)C[C@@H]1C(=O)[O-]	ZINC000111252836	601589649	/nfs/dbraw/zinc/58/96/49/601589649.db2.gz	PYNYYSDURKZXBU-SKDRFNHKSA-N	-1	0	294.332	0.899	20	30		CCEDRM
N#Cc1cccc(C(=O)N2CCO[C@H](CC(=O)[O-])C2)c1	ZINC000091292588	601668635	/nfs/dbraw/zinc/66/86/35/601668635.db2.gz	VPLGWVWRDMVFCS-GFCCVEGCSA-N	-1	0	274.276	0.874	20	30		CCEDRM
Cn1cncc1Cn1cc(C(=O)[O-])cc(C#N)c1=O	ZINC000833059211	601782736	/nfs/dbraw/zinc/78/27/36/601782736.db2.gz	WVTCNDWWRYITKC-UHFFFAOYSA-N	-1	0	258.237	0.200	20	30		CCEDRM
C[C@@H](CC(=O)[O-])C(=O)OCC(=O)N(C)C(C)(C)C#N	ZINC000827333925	602280796	/nfs/dbraw/zinc/28/07/96/602280796.db2.gz	QHLYTXVOWFCYHD-QMMMGPOBSA-N	-1	0	270.285	0.401	20	30		CCEDRM
Cn1c(=O)[nH]cc(C(=O)C=Cc2ccoc2C(=O)[O-])c1=O	ZINC000833037717	602300242	/nfs/dbraw/zinc/30/02/42/602300242.db2.gz	PJCSWFLKEVYRGP-IHWYPQMZSA-N	-1	0	290.231	0.673	20	30		CCEDRM
C=C(C)COCCNC(=O)N1CCO[C@H](CC(=O)[O-])C1	ZINC000164152185	602401208	/nfs/dbraw/zinc/40/12/08/602401208.db2.gz	IGYHBIFRZHHPEK-LLVKDONJSA-N	-1	0	286.328	0.464	20	30		CCEDRM
C#CCSCCNC(=O)[C@@](C)(C#N)CC(=O)[O-]	ZINC000819706206	613017691	/nfs/dbraw/zinc/01/76/91/613017691.db2.gz	QZKZBXBJHMBUNZ-LLVKDONJSA-N	-1	0	254.311	0.474	20	30		CCEDRM
COc1cc(C=NNC[C@@H](C)O)cc([N+](=O)[O-])c1[O-]	ZINC000814962601	617179450	/nfs/dbraw/zinc/17/94/50/617179450.db2.gz	OPESPOZMAUCYKJ-SSDOTTSWSA-N	-1	0	269.257	0.613	20	30		CCEDRM
COc1cc(C=NNCCO)c([N+](=O)[O-])cc1O	ZINC000814941812	617179195	/nfs/dbraw/zinc/17/91/95/617179195.db2.gz	VGGZSTWPWLWVIB-UHFFFAOYSA-N	-1	0	255.230	0.225	20	30		CCEDRM
COc1cc(C=Nn2c(=O)[n-][nH]c2=O)cc(OC)c1OC	ZINC000814231131	617179662	/nfs/dbraw/zinc/17/96/62/617179662.db2.gz	MYPXZKLOIBKONJ-UHFFFAOYSA-N	-1	0	294.267	0.597	20	30		CCEDRM
C#CCNC(=O)[C@H](C)OC(=O)C1(CNC(=O)[O-])CCCC1	ZINC000823456644	612950642	/nfs/dbraw/zinc/95/06/42/612950642.db2.gz	OAGXIWAESJWJAJ-JTQLQIEISA-N	-1	0	296.323	0.496	20	30		CCEDRM
C[C@H]1CN(S(=O)(=O)CCCC#N)CCN1C(=O)[O-]	ZINC000826069147	603121922	/nfs/dbraw/zinc/12/19/22/603121922.db2.gz	TWHSBJWHAJVZPT-VIFPVBQESA-N	-1	0	275.330	0.304	20	30		CCEDRM
CN(CCCNC(=O)[O-])c1ncc([N+](=O)[O-])cc1C#N	ZINC000739679725	603246417	/nfs/dbraw/zinc/24/64/17/603246417.db2.gz	JIQBGTKHIYXKKF-UHFFFAOYSA-N	-1	0	279.256	0.955	20	30		CCEDRM
C[C@H](CC#N)OC(=O)CN(C[C@@H]1CCCO1)C(=O)[O-]	ZINC000824544532	603447980	/nfs/dbraw/zinc/44/79/80/603447980.db2.gz	RPOMXFUWXHHAAI-ZJUUUORDSA-N	-1	0	270.285	0.991	20	30		CCEDRM
O=C([O-])Nc1ccc(C=NN2CC(=O)NC2=O)cn1	ZINC000832839031	603485138	/nfs/dbraw/zinc/48/51/38/603485138.db2.gz	PFQRLTDFFYLQOB-UHFFFAOYSA-N	-1	0	263.213	0.057	20	30		CCEDRM
Cc1cc(C(=O)N2CCN(C(=O)[O-])C[C@@H]2C#N)[nH]n1	ZINC000829930093	603590596	/nfs/dbraw/zinc/59/05/96/603590596.db2.gz	HKLFFISLYHOJSN-QMMMGPOBSA-N	-1	0	263.257	0.046	20	30		CCEDRM
Cc1ccc(C(=O)N2CCN(C(=O)[O-])C[C@H]2C#N)cn1	ZINC000830192764	603592184	/nfs/dbraw/zinc/59/21/84/603592184.db2.gz	OOGMOBZIEUIBEW-LLVKDONJSA-N	-1	0	274.280	0.718	20	30		CCEDRM
N#C[C@H]1CN(C(=O)[O-])CCN1C(=O)CCc1ccco1	ZINC000831082460	603593303	/nfs/dbraw/zinc/59/33/03/603593303.db2.gz	MFZXBNOVEWKGSD-JTQLQIEISA-N	-1	0	277.280	0.927	20	30		CCEDRM
N#C[C@@H]1CN(C(=O)[O-])CCN1C(=O)CCc1cccnc1	ZINC000831083295	603596468	/nfs/dbraw/zinc/59/64/68/603596468.db2.gz	YLHAPRVXUQPGPH-GFCCVEGCSA-N	-1	0	288.307	0.729	20	30		CCEDRM
C[C@@H](C#N)CN(C)C(=O)[C@]1(F)CCN(C(=O)[O-])C1	ZINC000823646642	603841136	/nfs/dbraw/zinc/84/11/36/603841136.db2.gz	DHUCJCWJGUQACS-KWQFWETISA-N	-1	0	257.265	0.696	20	30		CCEDRM
C[C@H](C#N)C(=O)NC1C[C@H]2CC[C@@H](C1)N2C(=O)[O-]	ZINC000823648280	603922974	/nfs/dbraw/zinc/92/29/74/603922974.db2.gz	SCAJKTJMTBKIJC-GQDPBHBBSA-N	-1	0	251.286	0.936	20	30		CCEDRM
C[C@H](CC(=O)OCC(=O)N[C@](C)(C#N)C1CC1)NC(=O)[O-]	ZINC000824730098	603965141	/nfs/dbraw/zinc/96/51/41/603965141.db2.gz	VUPCLBQLEFJGFA-AMIZOPFISA-N	-1	0	297.311	0.384	20	30		CCEDRM
N#C[C@H]1CN(C(=O)[O-])CCN1C(=O)c1ccc(=O)[nH]c1	ZINC000831087356	604066511	/nfs/dbraw/zinc/06/65/11/604066511.db2.gz	KKRPKGTVUAZFON-VIFPVBQESA-N	-1	0	276.252	0.115	20	30		CCEDRM
C[C@H](C(=O)N1CCN(C(=O)[O-])C[C@H]1C#N)C1CC1	ZINC000823668706	604066799	/nfs/dbraw/zinc/06/67/99/604066799.db2.gz	GKEPTGYVEQZJAX-WCBMZHEXSA-N	-1	0	251.286	0.747	20	30		CCEDRM
C[C@](C#N)(NC(=O)CN1CCC[C@@H]1CNC(=O)[O-])C1CC1	ZINC000823648761	604068920	/nfs/dbraw/zinc/06/89/20/604068920.db2.gz	WTSVAVDRDAQBQW-BXUZGUMPSA-N	-1	0	294.355	0.527	20	30		CCEDRM
N#C[C@@H]1CN(C(=O)[O-])CCN1C(=O)c1cc([N+](=O)[O-])c[nH]1	ZINC000831086911	604069756	/nfs/dbraw/zinc/06/97/56/604069756.db2.gz	HOIJKZVTUCOXFW-MRVPVSSYSA-N	-1	0	293.239	0.251	20	30		CCEDRM
C[C@H](C(=O)N1CCN(C(=O)[O-])C[C@H]1C#N)n1cccn1	ZINC000823669628	604072201	/nfs/dbraw/zinc/07/22/01/604072201.db2.gz	ONGDHFGZLJLJOC-NXEZZACHSA-N	-1	0	277.284	0.158	20	30		CCEDRM
N#C[C@H]1CN(C(=O)[O-])CCN1C(=O)C1=COCC1	ZINC000831076555	604074254	/nfs/dbraw/zinc/07/42/54/604074254.db2.gz	OVAPBAIFXVMGJM-VIFPVBQESA-N	-1	0	251.242	0.005	20	30		CCEDRM
C[C@H](OCC1CC1)C(=O)N1CCN(C(=O)[O-])C[C@H]1C#N	ZINC000825609896	604079238	/nfs/dbraw/zinc/07/92/38/604079238.db2.gz	DRECWLXEMXANMH-GXSJLCMTSA-N	-1	0	281.312	0.516	20	30		CCEDRM
C[C@@H](CN(C)C(=O)[O-])C(=O)Nc1cnn(CC#N)c1	ZINC000824880489	604131351	/nfs/dbraw/zinc/13/13/51/604131351.db2.gz	IALXPVDPOIXELM-QMMMGPOBSA-N	-1	0	265.273	0.591	20	30		CCEDRM
Cn1cc(C#N)c(NC(=O)N[C@H](CNC(=O)[O-])C2CC2)n1	ZINC000830985500	604154633	/nfs/dbraw/zinc/15/46/33/604154633.db2.gz	RFXIBHZXQZNDBW-SECBINFHSA-N	-1	0	292.299	0.459	20	30		CCEDRM
Cn1cc(C#N)c(NC(=O)NCCCNC(=O)[O-])n1	ZINC000830984797	604154725	/nfs/dbraw/zinc/15/47/25/604154725.db2.gz	IFHPRIMTWWZEPZ-UHFFFAOYSA-N	-1	0	266.261	0.071	20	30		CCEDRM
C[C@H](CN(C)C(=O)[O-])C(=O)N1CCN(C2CC2)[C@@H](C#N)C1	ZINC000824839802	604167470	/nfs/dbraw/zinc/16/74/70/604167470.db2.gz	GXUWMHDVIVOIMN-PWSUYJOCSA-N	-1	0	294.355	0.431	20	30		CCEDRM
Cn1ccc(C(=O)N2CCN(C(=O)[O-])C[C@H]2C#N)c1	ZINC000831019162	604391572	/nfs/dbraw/zinc/39/15/72/604391572.db2.gz	XURWUHKFHHBWHS-SNVBAGLBSA-N	-1	0	262.269	0.353	20	30		CCEDRM
N#Cc1cc(C(=O)[O-])cn(C[C@@H]2CCCOC2)c1=O	ZINC000833068837	604402688	/nfs/dbraw/zinc/40/26/88/604402688.db2.gz	MXPHHYBIWJFBGV-VIFPVBQESA-N	-1	0	262.265	0.845	20	30		CCEDRM
CC(C)C[C@@H](C#N)NS(=O)(=O)c1c[nH]c(C(=O)[O-])c1	ZINC000833473389	604539668	/nfs/dbraw/zinc/53/96/68/604539668.db2.gz	CUBVXUGCZVYTHW-QMMMGPOBSA-N	-1	0	285.325	0.929	20	30		CCEDRM
N#CCCn1ncc2c1ncnc2NC1CN(C(=O)[O-])C1	ZINC000831097063	604637763	/nfs/dbraw/zinc/63/77/63/604637763.db2.gz	CTZKWKPZCGFADO-UHFFFAOYSA-N	-1	0	287.283	0.514	20	30		CCEDRM
C=CCCOCCNC(=O)N1CC[C@H](C(=O)[O-])C1	ZINC000231836555	604654423	/nfs/dbraw/zinc/65/44/23/604654423.db2.gz	VLFGHJGVGTZUHR-JTQLQIEISA-N	-1	0	256.302	0.695	20	30		CCEDRM
N#CCCCS(=O)(=O)NC1(C(=O)[O-])CCSCC1	ZINC000833760161	604703702	/nfs/dbraw/zinc/70/37/02/604703702.db2.gz	ICCFQDUCJUBBMX-UHFFFAOYSA-N	-1	0	292.382	0.560	20	30		CCEDRM
C#CC[C@@H](NC(=O)c1cc(C(C)C)nn1C)C(=O)[O-]	ZINC000910055128	613041542	/nfs/dbraw/zinc/04/15/42/613041542.db2.gz	XXFJIKDFZZBUHA-SECBINFHSA-N	-1	0	263.297	0.750	20	30		CCEDRM
N#C[C@H](NC(=O)C[C@H]1CN(C(=O)[O-])CCO1)C1CC1	ZINC000831070918	604862368	/nfs/dbraw/zinc/86/23/68/604862368.db2.gz	UYACEDNLWKGRAJ-UWVGGRQHSA-N	-1	0	267.285	0.174	20	30		CCEDRM
N#CCN(C(=O)[C@H]1CN(C(=O)[O-])CCO1)C1CCCC1	ZINC000831097897	604945065	/nfs/dbraw/zinc/94/50/65/604945065.db2.gz	YEXOHGIVUYHTSD-LLVKDONJSA-N	-1	0	281.312	0.660	20	30		CCEDRM
COc1cc(CNC(=O)[C@@](C)(C#N)CC(=O)[O-])ccn1	ZINC000820763838	617188564	/nfs/dbraw/zinc/18/85/64/617188564.db2.gz	GRUSHCGJKXQQSQ-CYBMUJFWSA-N	-1	0	277.280	0.711	20	30		CCEDRM
C[C@H](C(=O)[O-])n1cccc1C=NNC(=S)N(C)C	ZINC000833407119	605040141	/nfs/dbraw/zinc/04/01/41/605040141.db2.gz	RITXQVBRKQYYKS-MRVPVSSYSA-N	-1	0	268.342	0.904	20	30		CCEDRM
N#CCN1CCC(OC(=O)C2(NC(=O)[O-])CC2)CC1	ZINC000831102613	605269736	/nfs/dbraw/zinc/26/97/36/605269736.db2.gz	OWSNRGNAGATGPH-UHFFFAOYSA-N	-1	0	267.285	0.318	20	30		CCEDRM
Cn1cc(C#N)cc1C(=O)NC[C@H]1CCN(C(=O)[O-])C1	ZINC000833944953	605311643	/nfs/dbraw/zinc/31/16/43/605311643.db2.gz	KXGILBBKAJBQDE-SECBINFHSA-N	-1	0	276.296	0.626	20	30		CCEDRM
N#CCCCNc1ccc(S(N)(=O)=O)cc1C(=O)[O-]	ZINC000833760311	605379382	/nfs/dbraw/zinc/37/93/82/605379382.db2.gz	NLQHMQADVXTYDK-UHFFFAOYSA-N	-1	0	283.309	0.748	20	30		CCEDRM
N#CCCCNS(=O)(=O)c1cccc(C(=O)[O-])c1	ZINC000054137457	605406095	/nfs/dbraw/zinc/40/60/95/605406095.db2.gz	AZDAPUMRXICXFL-UHFFFAOYSA-N	-1	0	268.294	0.967	20	30		CCEDRM
N#Cc1ccc(N2CCC[C@H](CNC(=O)[O-])C2)nn1	ZINC000833975067	605406931	/nfs/dbraw/zinc/40/69/31/605406931.db2.gz	ZMZSPTVDOXOQFS-SECBINFHSA-N	-1	0	261.285	0.832	20	30		CCEDRM
C[C@H](CS(=O)(=O)N1CCC[C@](C)(C#N)C1)C(=O)[O-]	ZINC000833520030	605413449	/nfs/dbraw/zinc/41/34/49/605413449.db2.gz	RHJQEAGIOWGXIN-MWLCHTKSSA-N	-1	0	274.342	0.663	20	30		CCEDRM
C[C@@]1(C#N)CCCN(S(=O)(=O)CCCC(=O)[O-])C1	ZINC000833551882	605417094	/nfs/dbraw/zinc/41/70/94/605417094.db2.gz	UJHLZIOMHDHWDQ-NSHDSACASA-N	-1	0	274.342	0.807	20	30		CCEDRM
O=C([O-])NCCC=NN1C(=O)NC2(CCCCC2)C1=O	ZINC000832605248	605461623	/nfs/dbraw/zinc/46/16/23/605461623.db2.gz	NNTMHHCHUDXVFZ-UHFFFAOYSA-N	-1	0	282.300	0.885	20	30		CCEDRM
N#CCSCC(=O)NC[C@H]1CCN(C(=O)[O-])C1	ZINC000833968552	605530445	/nfs/dbraw/zinc/53/04/45/605530445.db2.gz	TYOFSLUHDPIPON-MRVPVSSYSA-N	-1	0	257.315	0.359	20	30		CCEDRM
N#CCN(C(=O)C[C@H]1CSCCN1C(=O)[O-])C1CC1	ZINC000831097834	605638138	/nfs/dbraw/zinc/63/81/38/605638138.db2.gz	VRFCAGKRHJTLNC-JTQLQIEISA-N	-1	0	283.353	0.986	20	30		CCEDRM
N#CCN(C(=O)CO[C@@H]1CCCN(C(=O)[O-])C1)C1CC1	ZINC000831097832	605666803	/nfs/dbraw/zinc/66/68/03/605666803.db2.gz	VPYBFBOBUVOWSN-LLVKDONJSA-N	-1	0	281.312	0.660	20	30		CCEDRM
Cn1c(Cl)cnc1CN[C@@H]1CN(C(=O)[O-])C[C@@H]1C#N	ZINC000833942602	605684263	/nfs/dbraw/zinc/68/42/63/605684263.db2.gz	YPDBGPZLQJYTMM-JGVFFNPUSA-N	-1	0	283.719	0.665	20	30		CCEDRM
Cc1onc(CC(=O)NC[C@@H](C)CNC(=O)[O-])c1C#N	ZINC000833934840	605697785	/nfs/dbraw/zinc/69/77/85/605697785.db2.gz	CSGPIEQDPWMDNZ-SSDOTTSWSA-N	-1	0	280.284	0.417	20	30		CCEDRM
C[C@@]1(C(=O)OCC(=O)NCCC#N)CCCN1C(=O)[O-]	ZINC000833822618	605730301	/nfs/dbraw/zinc/73/03/01/605730301.db2.gz	SNIQIBFPSHPFCX-LBPRGKRZSA-N	-1	0	283.284	0.092	20	30		CCEDRM
N#Cc1cc([N+](=O)[O-])cnc1NCC1CN(C(=O)[O-])C1	ZINC000833974324	605731986	/nfs/dbraw/zinc/73/19/86/605731986.db2.gz	JMYJUMKAQRAUJR-UHFFFAOYSA-N	-1	0	277.240	0.883	20	30		CCEDRM
O=C([O-])N1CCOC[C@H]1[C@@H]1CCCC1=NN1CCOCC1	ZINC000834115733	605738935	/nfs/dbraw/zinc/73/89/35/605738935.db2.gz	FOPOZFYHQWWIPI-YPMHNXCESA-N	-1	0	297.355	0.854	20	30		CCEDRM
C[C@](O)(CC(=O)N(CC#N)CC(=O)[O-])c1ccccc1	ZINC000833525176	605756018	/nfs/dbraw/zinc/75/60/18/605756018.db2.gz	NIARLFIOOZYBAG-AWEZNQCLSA-N	-1	0	276.292	0.721	20	30		CCEDRM
C#CCCNS(=O)(=O)N=S1(=O)CCCC1	ZINC000866785113	613048044	/nfs/dbraw/zinc/04/80/44/613048044.db2.gz	QCLCPGGHTHPQLB-UHFFFAOYSA-N	-1	0	250.345	0.106	20	30		CCEDRM
C[C@H](C(=O)Nc1ccccc1C#N)N(C)CC(=O)[O-]	ZINC000819883084	605807394	/nfs/dbraw/zinc/80/73/94/605807394.db2.gz	NHBDLWOKWOCMIP-SECBINFHSA-N	-1	0	261.281	0.902	20	30		CCEDRM
C[C@@H](C(=O)Nc1cccc(C#N)c1)N(C)CC(=O)[O-]	ZINC000819883452	605807681	/nfs/dbraw/zinc/80/76/81/605807681.db2.gz	XKUDJCAMDDAVMF-VIFPVBQESA-N	-1	0	261.281	0.902	20	30		CCEDRM
Cn1ncc2c1ncnc2N=NC1CCC[C@@H]1NC(=O)[O-]	ZINC000833961914	605857764	/nfs/dbraw/zinc/85/77/64/605857764.db2.gz	NFFUQVSOIUYEEH-QMMMGPOBSA-N	-1	0	289.299	0.951	20	30		CCEDRM
C[C@]1(C(=O)OCC(=O)NCC#N)CCCCN1C(=O)[O-]	ZINC000833821353	605864984	/nfs/dbraw/zinc/86/49/84/605864984.db2.gz	CZXSOBNPANVBNZ-GFCCVEGCSA-N	-1	0	283.284	0.092	20	30		CCEDRM
N#C[C@@H]1CSCCN1C(=O)CC1CN(C(=O)[O-])C1	ZINC000833968854	605978610	/nfs/dbraw/zinc/97/86/10/605978610.db2.gz	YKGQRIXQLPWZKD-SECBINFHSA-N	-1	0	269.326	0.454	20	30		CCEDRM
N#CCCN(CC1CC1)CN1C[C@@H](NC(=O)[O-])CC1=O	ZINC000833965410	605994521	/nfs/dbraw/zinc/99/45/21/605994521.db2.gz	LTDZULXCGQWPGP-NSHDSACASA-N	-1	0	280.328	0.438	20	30		CCEDRM
N#C[C@]1(NC(=O)[C@@H](CC(F)F)NC(=O)[O-])CCSC1	ZINC000833964923	606030073	/nfs/dbraw/zinc/03/00/73/606030073.db2.gz	UPLCHXVQMIOJFU-LHLIQPBNSA-N	-1	0	293.295	0.793	20	30		CCEDRM
N#C[C@@H](OC(=O)CCOC1CN(C(=O)[O-])C1)C1CC1	ZINC000833964323	606111874	/nfs/dbraw/zinc/11/18/74/606111874.db2.gz	GFTZULKLQONNBM-SNVBAGLBSA-N	-1	0	268.269	0.601	20	30		CCEDRM
C#CCCS(=O)(=O)[N-]C(=O)CCc1ccccn1	ZINC000810779940	613052796	/nfs/dbraw/zinc/05/27/96/613052796.db2.gz	HUBGCXQFIUAVPO-UHFFFAOYSA-N	-1	0	266.322	0.484	20	30		CCEDRM
C#CCCS(=O)(=O)[N-]C(=O)[C@@H](C)c1ccco1	ZINC000810784122	613052891	/nfs/dbraw/zinc/05/28/91/613052891.db2.gz	SEPVHCYWKTZSQN-VIFPVBQESA-N	-1	0	255.295	0.852	20	30		CCEDRM
C#CCCS(=O)(=O)[N-]C(=O)COc1ccc(C)cc1	ZINC000810780959	613052694	/nfs/dbraw/zinc/05/26/94/613052694.db2.gz	YOUGJMYRCIDZJG-UHFFFAOYSA-N	-1	0	281.333	0.843	20	30		CCEDRM
C#CCCS(=O)(=O)[N-]C(=O)c1cc(C(=O)OC)co1	ZINC000810779529	613053469	/nfs/dbraw/zinc/05/34/69/613053469.db2.gz	QWWNQPLJCBDASU-UHFFFAOYSA-N	-1	0	285.277	0.149	20	30		CCEDRM
C#CCCS(=O)(=O)[N-]C(=O)c1ccc(C(C)=O)cc1	ZINC000791110707	613053535	/nfs/dbraw/zinc/05/35/35/613053535.db2.gz	HLXJKQVFHJDGGS-UHFFFAOYSA-N	-1	0	279.317	0.972	20	30		CCEDRM
C#CCCS(=O)(=O)[N-]C(=O)c1ccc(OC(C)C)nc1	ZINC000810784866	613053542	/nfs/dbraw/zinc/05/35/42/613053542.db2.gz	QMWRQPXDVUUDHA-UHFFFAOYSA-N	-1	0	296.348	0.952	20	30		CCEDRM
C#CCCS(=O)(=O)[N-]C(=O)c1cnn2c1CCCC2	ZINC000798203279	613053714	/nfs/dbraw/zinc/05/37/14/613053714.db2.gz	WTMXMSXCCWKXKI-UHFFFAOYSA-N	-1	0	281.337	0.302	20	30		CCEDRM
C#CC[C@H](NC(=O)C[C@](C)(O)c1ccccc1)C(=O)[O-]	ZINC000910049917	613068051	/nfs/dbraw/zinc/06/80/51/613068051.db2.gz	ABPPYDDZRJRLIK-WFASDCNBSA-N	-1	0	275.304	0.877	20	30		CCEDRM
C#C[C@H]1CC[C@H](NC(=O)[C@@H]2CC[C@H](C(=O)[O-])O2)CC1	ZINC000873004502	613108394	/nfs/dbraw/zinc/10/83/94/613108394.db2.gz	KWNCQAMATCUGEP-FIQHERPVSA-N	-1	0	265.309	0.927	20	30		CCEDRM
COc1cc2c(cc1OC)C(=N[N-]c1nc[nH]n1)C(=O)N2	ZINC000807996101	617218865	/nfs/dbraw/zinc/21/88/65/617218865.db2.gz	VAOPUBCPEJZUTF-UHFFFAOYSA-N	-1	0	288.267	0.590	20	30		CCEDRM
COc1ccc(C=NN(C)C[C@@H](C)O)c(OCC(=O)[O-])c1	ZINC000841649706	617238269	/nfs/dbraw/zinc/23/82/69/617238269.db2.gz	AGYPMXDLVJCBOV-SNVBAGLBSA-N	-1	0	296.323	0.805	20	30		CCEDRM
COc1ccc(C=Nn2c(=O)c(C)n[n-]c2=S)c(O)c1	ZINC000914691601	617238522	/nfs/dbraw/zinc/23/85/22/617238522.db2.gz	CNSGPAJOTKYANV-UHFFFAOYSA-N	-1	0	292.320	0.832	20	30		CCEDRM
CSC[C@H](NC(=O)C1(C#N)CCSCC1)C(=O)[O-]	ZINC000907780196	617254277	/nfs/dbraw/zinc/25/42/77/617254277.db2.gz	PAEJZRWRPIMFJX-QMMMGPOBSA-N	-1	0	288.394	0.956	20	30		CCEDRM
COc1cccc(CCNC(=O)[C@](C)(C#N)CC(=O)[O-])n1	ZINC000820865541	617296590	/nfs/dbraw/zinc/29/65/90/617296590.db2.gz	QJXYBODCEHOEFV-AWEZNQCLSA-N	-1	0	291.307	0.753	20	30		CCEDRM
C[C@@H](C(=O)N1CCN(C(=O)[O-])C[C@H]1C#N)c1cccnc1	ZINC000823670311	617304486	/nfs/dbraw/zinc/30/44/86/617304486.db2.gz	UCUQBDLWUZBNFZ-ZYHUDNBSSA-N	-1	0	288.307	0.899	20	30		CCEDRM
C#CCNS(=O)(=O)c1cccc2c1ccnc2C(=O)[O-]	ZINC000833364503	612956972	/nfs/dbraw/zinc/95/69/72/612956972.db2.gz	STEQZYVZBMNDOP-UHFFFAOYSA-N	-1	0	290.300	0.845	20	30		CCEDRM
C#CC1(O)CN(C(=O)c2cc(=O)n(-c3ccc(C)cc3)[n-]2)C1	ZINC000890522553	612958886	/nfs/dbraw/zinc/95/88/86/612958886.db2.gz	DCIAWCOGSJMGRI-UHFFFAOYSA-N	-1	0	297.314	0.294	20	30		CCEDRM
C#CCCCCNC(=O)N1CCO[C@@H]([C@H](C)NC(=O)[O-])C1	ZINC000823440879	612977613	/nfs/dbraw/zinc/97/76/13/612977613.db2.gz	LNULEJRHLVHCIC-NWDGAFQWSA-N	-1	0	297.355	0.856	20	30		CCEDRM
C#CCCCNC(=O)N(CCC)[C@@H](COC)C(=O)[O-]	ZINC000909027493	612981205	/nfs/dbraw/zinc/98/12/05/612981205.db2.gz	LMNCWTYXMXLCCE-NSHDSACASA-N	-1	0	270.329	0.921	20	30		CCEDRM
C#CCCCNC(=O)N1CCN(C(=O)[O-])[C@@H](C)C1	ZINC000823444517	612981542	/nfs/dbraw/zinc/98/15/42/612981542.db2.gz	LKJFJLVFXYKWGJ-JTQLQIEISA-N	-1	0	253.302	0.794	20	30		CCEDRM
C#CCCCNC(=O)[C@H](CCSC)NC(=O)[O-]	ZINC000823444635	612982470	/nfs/dbraw/zinc/98/24/70/612982470.db2.gz	OICFBBNTOSEJOC-VIFPVBQESA-N	-1	0	258.343	0.905	20	30		CCEDRM
C#CCCCS(=O)(=O)[N-]c1c(C#N)c(C)nn1C	ZINC000903172683	612985366	/nfs/dbraw/zinc/98/53/66/612985366.db2.gz	BAFOGXDFTTZODY-UHFFFAOYSA-N	-1	0	266.326	0.755	20	30		CCEDRM
C#CCCCS(=O)(=O)[N-]c1cc(OC)ncn1	ZINC000840945150	612985377	/nfs/dbraw/zinc/98/53/77/612985377.db2.gz	BGASHLTZOFURRH-UHFFFAOYSA-N	-1	0	255.299	0.640	20	30		CCEDRM
C#CCCCS(=O)(=O)[N-]c1nn(C)c(C)c1C#N	ZINC000886412342	612985659	/nfs/dbraw/zinc/98/56/59/612985659.db2.gz	CKQPQEMDBAWCHI-UHFFFAOYSA-N	-1	0	266.326	0.755	20	30		CCEDRM
C#CCO[N-]C(=O)CNC(=O)c1ccc(C)c(C)c1	ZINC000812781213	612992074	/nfs/dbraw/zinc/99/20/74/612992074.db2.gz	LLCSBJRHEHXKOR-UHFFFAOYSA-N	-1	0	260.293	0.714	20	30		CCEDRM
C#CCO[N-]C(=O)CNC(=O)c1ccc(F)cc1	ZINC000812785622	612992128	/nfs/dbraw/zinc/99/21/28/612992128.db2.gz	ZAEZMTKFEUFZFV-UHFFFAOYSA-N	-1	0	250.229	0.237	20	30		CCEDRM
C#CCO[N-]C(=O)CN1CCN(Cc2ccccc2)CC1	ZINC000812783146	612992194	/nfs/dbraw/zinc/99/21/94/612992194.db2.gz	AQKLJGLAFCSEIP-UHFFFAOYSA-N	-1	0	287.363	0.485	20	30		CCEDRM
C#CCO[N-]C(=O)Cc1ccn(CC(F)(F)F)n1	ZINC000899135936	612992486	/nfs/dbraw/zinc/99/24/86/612992486.db2.gz	DRWMAFAPFBPCEI-UHFFFAOYSA-N	-1	0	261.203	0.669	20	30		CCEDRM
C#CCO[N-]C(=O)[C@@H]1CC(c2cccc(F)c2)=NO1	ZINC000812782990	612992683	/nfs/dbraw/zinc/99/26/83/612992683.db2.gz	TVIBVZPCBKPZJN-LBPRGKRZSA-N	-1	0	262.240	1.000	20	30		CCEDRM
C#CCO[N-]C(=O)[C@H]1CCCCN1C(=O)c1ccco1	ZINC000855602981	612992928	/nfs/dbraw/zinc/99/29/28/612992928.db2.gz	IFKDVKGALKACLF-LLVKDONJSA-N	-1	0	276.292	0.955	20	30		CCEDRM
C#CCO[N-]C(=O)c1cnc2scc(C)n2c1=O	ZINC000812783573	612993682	/nfs/dbraw/zinc/99/36/82/612993682.db2.gz	VKKKLHHWOQEWGM-UHFFFAOYSA-N	-1	0	263.278	0.359	20	30		CCEDRM
C#CCO[C@@H](C)C(=O)N[C@@H](Cc1ccc(F)cc1)C(=O)[O-]	ZINC000910922779	612996885	/nfs/dbraw/zinc/99/68/85/612996885.db2.gz	PCQACOGEMMTMDL-GWCFXTLKSA-N	-1	0	293.294	0.976	20	30		CCEDRM
C#CCO[C@@H](C)C(=O)N[C@H](C(=O)[O-])c1ccccc1	ZINC000908269442	612997272	/nfs/dbraw/zinc/99/72/72/612997272.db2.gz	VWKISSVKNKWIMU-JQWIXIFHSA-N	-1	0	261.277	0.967	20	30		CCEDRM
C#CCO[C@H](C)C(=O)NCc1nc(C(=O)[O-])cs1	ZINC000909259469	613002161	/nfs/dbraw/zinc/00/21/61/613002161.db2.gz	IFHCMHYFRBQBLD-SSDOTTSWSA-N	-1	0	268.294	0.496	20	30		CCEDRM
C#CCO[C@H](C)C(=O)[N-]S(=O)(=O)[C@H]1C[C@@H]2CC[C@H]1C2	ZINC000835738680	613002215	/nfs/dbraw/zinc/00/22/15/613002215.db2.gz	FZODIOFSPUXZCD-WYUUTHIRSA-N	-1	0	285.365	0.659	20	30		CCEDRM
C#CCSCC(=O)N1CCC(c2n[nH]c(=O)[n-]2)CC1	ZINC000897621282	613009593	/nfs/dbraw/zinc/00/95/93/613009593.db2.gz	XXWOAEUIFPVAFJ-UHFFFAOYSA-N	-1	0	280.353	0.583	20	30		CCEDRM
C#CCCN1CCN(C(=O)[C@H](C(=O)[O-])C(C)C)CC1	ZINC000911251545	613010065	/nfs/dbraw/zinc/01/00/65/613010065.db2.gz	AIACTZGRXWREJG-GFCCVEGCSA-N	-1	0	266.341	0.511	20	30		CCEDRM
C#CC[C@@H](CO)NC(=O)CCc1ccccc1C(=O)[O-]	ZINC000911395185	613023760	/nfs/dbraw/zinc/02/37/60/613023760.db2.gz	NNHRCOYBGIZSPC-LBPRGKRZSA-N	-1	0	275.304	0.818	20	30		CCEDRM
C#CC[C@@H](NC(=O)CNC(=O)CCC(C)C)C(=O)[O-]	ZINC000910054920	613039683	/nfs/dbraw/zinc/03/96/83/613039683.db2.gz	UQHYNYHQKRICHF-SNVBAGLBSA-N	-1	0	268.313	0.132	20	30		CCEDRM
C#CC[C@@H](NC(=O)CCCn1nc(C)cc1C)C(=O)[O-]	ZINC000923087911	613039861	/nfs/dbraw/zinc/03/98/61/613039861.db2.gz	BXDUKSRXCIIBSN-GFCCVEGCSA-N	-1	0	277.324	0.873	20	30		CCEDRM
C#CC[C@@H](NC(=O)c1ccc(C(=O)N(C)C)cc1)C(=O)[O-]	ZINC000910054767	613041825	/nfs/dbraw/zinc/04/18/25/613041825.db2.gz	XPVYFUHKZMKTHG-GFCCVEGCSA-N	-1	0	288.303	0.595	20	30		CCEDRM
C#CC[C@@H](NC(=O)c1ccc(COC)o1)C(=O)[O-]	ZINC000910053179	613042066	/nfs/dbraw/zinc/04/20/66/613042066.db2.gz	OCIBFQOJMYDLPY-SECBINFHSA-N	-1	0	251.238	0.632	20	30		CCEDRM
C#CC[C@@H](NC(=O)c1cccnc1OCC(F)F)C(=O)[O-]	ZINC000910048009	613042111	/nfs/dbraw/zinc/04/21/11/613042111.db2.gz	BQVJNZLJSFBXCA-SECBINFHSA-N	-1	0	298.245	0.932	20	30		CCEDRM
C#CC[C@@H](NC(=O)c1cnn(CCCOC)c1)C(=O)[O-]	ZINC000910049602	613042457	/nfs/dbraw/zinc/04/24/57/613042457.db2.gz	YLNMCELRIBQCPX-LLVKDONJSA-N	-1	0	279.296	0.126	20	30		CCEDRM
C#CCCN=c1nn[n-]n1Cc1ccc(OC)cc1	ZINC000865539366	613046556	/nfs/dbraw/zinc/04/65/56/613046556.db2.gz	UPSSQMUAWGYIHH-UHFFFAOYSA-N	-1	0	257.297	0.587	20	30		CCEDRM
C#CCCNS(=O)(=O)c1csnc1C(=O)[O-]	ZINC000833365262	613048341	/nfs/dbraw/zinc/04/83/41/613048341.db2.gz	MTDLIKSKFVTDDL-UHFFFAOYSA-N	-1	0	260.296	0.143	20	30		CCEDRM
C#CCCS(=O)(=O)[N-]C(=O)COc1cccc(C)c1	ZINC000810782323	613052994	/nfs/dbraw/zinc/05/29/94/613052994.db2.gz	MNNZKOZFHIFGDA-UHFFFAOYSA-N	-1	0	281.333	0.843	20	30		CCEDRM
C#CCCS(=O)(=O)[N-]C(=O)[C@H]1CC(=O)c2ccccc21	ZINC000810780783	613053309	/nfs/dbraw/zinc/05/33/09/613053309.db2.gz	QUKAMTWCRVUDSD-LBPRGKRZSA-N	-1	0	291.328	0.826	20	30		CCEDRM
C#CCC[C@H](O)CNC(=O)Cc1cc(=O)n(CC(C)C)[n-]1	ZINC000935812292	613060632	/nfs/dbraw/zinc/06/06/32/613060632.db2.gz	CFPWWAYEJAIFSJ-ZDUSSCGKSA-N	-1	0	293.367	0.265	20	30		CCEDRM
C#CCN(C(=O)CC[C@@H]1C[C@H](C(=O)[O-])CO1)C1CC1	ZINC000911408070	613065536	/nfs/dbraw/zinc/06/55/36/613065536.db2.gz	RJSHAIPFBIZDLL-CMPLNLGQSA-N	-1	0	265.309	0.881	20	30		CCEDRM
C#CCN(C(=O)CCCc1nnn[n-]1)C1CSC1	ZINC000912362982	613065603	/nfs/dbraw/zinc/06/56/03/613065603.db2.gz	ZNHJZVISPQWFLJ-UHFFFAOYSA-N	-1	0	265.342	0.100	20	30		CCEDRM
C#CCN(C(=O)CCCn1c(=O)[n-][nH]c1=O)C1CC1	ZINC000907399532	613065751	/nfs/dbraw/zinc/06/57/51/613065751.db2.gz	HBLYJMXTAXXDFT-UHFFFAOYSA-N	-1	0	264.285	0.094	20	30		CCEDRM
C#CC[C@H](NC(=O)/C=C/C1CCOCC1)C(=O)[O-]	ZINC000910054529	613067372	/nfs/dbraw/zinc/06/73/72/613067372.db2.gz	PIKFLISYQZSODH-ZWNMCFTASA-N	-1	0	251.282	0.562	20	30		CCEDRM
C#CC[C@H](NC(=O)CNC(=O)CC1CCCCC1)C(=O)[O-]	ZINC000910054371	613067887	/nfs/dbraw/zinc/06/78/87/613067887.db2.gz	MUGDOSRZPZJFJW-LBPRGKRZSA-N	-1	0	294.351	0.666	20	30		CCEDRM
C#CC[C@H](NC(=O)Cc1c(C)nn(CC)c1C)C(=O)[O-]	ZINC000910051950	613068015	/nfs/dbraw/zinc/06/80/15/613068015.db2.gz	JNUGZPHXOUAPFO-LBPRGKRZSA-N	-1	0	277.324	0.655	20	30		CCEDRM
C#CC[C@H](NC(=O)[C@@H]1CCC(=O)c2cccn21)C(=O)[O-]	ZINC000910050158	613068657	/nfs/dbraw/zinc/06/86/57/613068657.db2.gz	GMQNSDZMEQTVON-ONGXEEELSA-N	-1	0	274.276	0.598	20	30		CCEDRM
C#CC[C@H](NC(=O)[C@@H](O)Cc1ccccc1Cl)C(=O)[O-]	ZINC000910048107	613068803	/nfs/dbraw/zinc/06/88/03/613068803.db2.gz	DSASXWBMFXSLLS-RYUDHWBXSA-N	-1	0	295.722	0.836	20	30		CCEDRM
C#CC[C@H](NC(=O)[C@H]1CCCN1C(=O)C(C)C)C(=O)[O-]	ZINC000910053060	613069529	/nfs/dbraw/zinc/06/95/29/613069529.db2.gz	NSEWLXKUKXSGOL-WDEREUQCSA-N	-1	0	280.324	0.226	20	30		CCEDRM
C#CC[C@H](NC(=O)[C@H]1CCCN(C(=O)CCC)C1)C(=O)[O-]	ZINC000910052715	613069567	/nfs/dbraw/zinc/06/95/67/613069567.db2.gz	HDCVSXWEBJESAO-RYUDHWBXSA-N	-1	0	294.351	0.618	20	30		CCEDRM
C#CCN(C(=O)c1ccnc2c(C(=O)[O-])cnn21)C1CC1	ZINC000911408502	613070268	/nfs/dbraw/zinc/07/02/68/613070268.db2.gz	VHTMMNVBJICYQI-UHFFFAOYSA-N	-1	0	284.275	0.665	20	30		CCEDRM
C#CC[C@H](NC(=O)c1ccnn1C1CCC1)C(=O)[O-]	ZINC000907720173	613070399	/nfs/dbraw/zinc/07/03/99/613070399.db2.gz	ZZDWPBOMBYVBHQ-JTQLQIEISA-N	-1	0	261.281	0.814	20	30		CCEDRM
C#CC[C@H](NC(=O)c1cnc([C@@H](C)O)s1)C(=O)[O-]	ZINC000910048764	613070589	/nfs/dbraw/zinc/07/05/89/613070589.db2.gz	OFGUHNCWRQQPOH-RQJHMYQMSA-N	-1	0	268.294	0.403	20	30		CCEDRM
C#CC[C@H](NC(=O)c1nc(C)c(C)s1)C(=O)[O-]	ZINC000910052278	613070867	/nfs/dbraw/zinc/07/08/67/613070867.db2.gz	RUBGFMCCNLOZES-QMMMGPOBSA-N	-1	0	252.295	0.966	20	30		CCEDRM
C#CCn1cc(CNC(=O)[C@H]2C[C@@H](C)[C@H](C(=O)[O-])O2)cn1	ZINC000911720331	613077598	/nfs/dbraw/zinc/07/75/98/613077598.db2.gz	YLMRXTHHTBRFGC-YUSALJHKSA-N	-1	0	291.307	0.011	20	30		CCEDRM
C#C[C@@H](CC)NS(=O)(=O)N=[S@](C)(=O)CC	ZINC000867198371	613084669	/nfs/dbraw/zinc/08/46/69/613084669.db2.gz	JFZFFSOCLWYVFT-RMLUDKJBSA-N	-1	0	252.361	0.350	20	30		CCEDRM
C#C[C@@H](NC(=O)NCC(=O)[N-]OCC)C(C)(C)C	ZINC000845533271	613095429	/nfs/dbraw/zinc/09/54/29/613095429.db2.gz	SEPJFHLGQWGWKZ-SECBINFHSA-N	-1	0	255.318	0.401	20	30		CCEDRM
C#CCN(CC#CC)C(=O)NC[C@@H](NC(=O)[O-])C(C)C	ZINC000823450818	613099836	/nfs/dbraw/zinc/09/98/36/613099836.db2.gz	JUVYJLDIRCITMP-GFCCVEGCSA-N	-1	0	279.340	0.947	20	30		CCEDRM
C#CCN(CC(=O)[O-])S(=O)(=O)CCC1CCCC1	ZINC000849218630	613103505	/nfs/dbraw/zinc/10/35/05/613103505.db2.gz	DJMOTDKGKPCMBU-UHFFFAOYSA-N	-1	0	273.354	0.916	20	30		CCEDRM
C#CCN(CC(=O)[O-])S(=O)(=O)CC1CC(F)(F)C1	ZINC000849218862	613103513	/nfs/dbraw/zinc/10/35/13/613103513.db2.gz	KRISFQFACHXVIO-UHFFFAOYSA-N	-1	0	281.280	0.381	20	30		CCEDRM
C#CCN(CC(=O)[O-])S(=O)(=O)C[C@H](C)COCC	ZINC000849218818	613103643	/nfs/dbraw/zinc/10/36/43/613103643.db2.gz	JUBUWKYDUALEEJ-SNVBAGLBSA-N	-1	0	277.342	0.009	20	30		CCEDRM
C#CCN(CC(=O)[O-])S(=O)(=O)c1cn(CC(C)C)cn1	ZINC000849218917	613103955	/nfs/dbraw/zinc/10/39/55/613103955.db2.gz	BZHPMSBCCKYUBW-UHFFFAOYSA-N	-1	0	299.352	0.248	20	30		CCEDRM
C#CCN(CC)C(=O)C(=O)Nc1cc(C(=O)[O-])n(C)c1	ZINC000833364675	613105140	/nfs/dbraw/zinc/10/51/40/613105140.db2.gz	SBJVBQHFIYCPRW-UHFFFAOYSA-N	-1	0	277.280	0.144	20	30		CCEDRM
C#CCN(Cc1ccccc1)C(=O)c1n[nH]c(=O)[n-]c1=O	ZINC000804834520	613108670	/nfs/dbraw/zinc/10/86/70/613108670.db2.gz	GUWBTXUDNNJDMD-UHFFFAOYSA-N	-1	0	284.275	0.558	20	30		CCEDRM
C#CCN(Cc1ccc(F)cc1)C(=O)CCc1nnn[n-]1	ZINC000865036475	613108835	/nfs/dbraw/zinc/10/88/35/613108835.db2.gz	ZAPUFDPAXBPFAR-UHFFFAOYSA-N	-1	0	287.298	0.933	20	30		CCEDRM
C#C[C@H](C)N(C)C(=O)c1cc(=O)n(-c2nc(C)cc(C)n2)[n-]1	ZINC000907774160	613114180	/nfs/dbraw/zinc/11/41/80/613114180.db2.gz	JQSOSWJGJHIUDD-NSHDSACASA-N	-1	0	299.334	0.666	20	30		CCEDRM
C#C[C@H](NC(=O)C(=O)[N-]OC1CCCCC1)[C@@H]1CCCO1	ZINC000809306719	613132020	/nfs/dbraw/zinc/13/20/20/613132020.db2.gz	UQHHFLVZDUULGM-STQMWFEESA-N	-1	0	294.351	0.664	20	30		CCEDRM
C#C[C@H](NC(=O)C[C@H](C)CC(=O)[O-])[C@@H]1CCCO1	ZINC000911578536	613133874	/nfs/dbraw/zinc/13/38/74/613133874.db2.gz	KMSBBADNALWBBV-DCAQKATOSA-N	-1	0	253.298	0.784	20	30		CCEDRM
C#C[C@H](NC(=O)N[C@H]1CC[C@@H](C(=O)[O-])C1)[C@@H]1CCCO1	ZINC000831038906	613144521	/nfs/dbraw/zinc/14/45/21/613144521.db2.gz	MTFGAAINRITOLR-RHYQMDGZSA-N	-1	0	280.324	0.720	20	30		CCEDRM
C#C[C@H](NS(=O)(=O)c1ccccc1[O-])[C@H]1CCCO1	ZINC000849388656	613152208	/nfs/dbraw/zinc/15/22/08/613152208.db2.gz	WDKJQAFNEIIJRG-CMPLNLGQSA-N	-1	0	281.333	0.851	20	30		CCEDRM
C#Cc1ccc(C(=O)N2CCO[C@H](C(=O)[O-])C2)cc1	ZINC000909217090	613171226	/nfs/dbraw/zinc/17/12/26/613171226.db2.gz	LLNJFNMBCGIGES-LBPRGKRZSA-N	-1	0	259.261	0.594	20	30		CCEDRM
C#Cc1ccc(C(=O)N[C@@]2(C(=O)[O-])CCOC2)nc1	ZINC000825636082	613188016	/nfs/dbraw/zinc/18/80/16/613188016.db2.gz	BGOHODNXYSWZCF-ZDUSSCGKSA-N	-1	0	260.249	0.036	20	30		CCEDRM
C#CCN1CCC[C@H]1C(=O)N1CCSC[C@@H](C(=O)[O-])C1	ZINC000910150565	613196297	/nfs/dbraw/zinc/19/62/97/613196297.db2.gz	TWUSRDYPDCKIMM-RYUDHWBXSA-N	-1	0	296.392	0.360	20	30		CCEDRM
C#CCN1CCN(C(=O)C[C@H]2CCCN2C(=O)[O-])CC1	ZINC000823451490	613206247	/nfs/dbraw/zinc/20/62/47/613206247.db2.gz	WWZVAKQHJJOZCF-GFCCVEGCSA-N	-1	0	279.340	0.296	20	30		CCEDRM
C=C(C)C(C)(C)C(=O)[N-]S(=O)(=O)N(C)CCOC	ZINC000820245788	613244736	/nfs/dbraw/zinc/24/47/36/613244736.db2.gz	DWKJEJBAXPVQOP-UHFFFAOYSA-N	-1	0	278.374	0.528	20	30		CCEDRM
C=C(C)CN(CC)C(=O)[C@H]1CN(C(=O)[O-])CCO1	ZINC000823473201	613293917	/nfs/dbraw/zinc/29/39/17/613293917.db2.gz	BQWJAVWBJZAMGB-SNVBAGLBSA-N	-1	0	256.302	0.790	20	30		CCEDRM
C=C(C)CN(CC)C(=O)[C@@H](C)N1CCO[C@@H](CC(=O)[O-])C1	ZINC000825642025	613294100	/nfs/dbraw/zinc/29/41/00/613294100.db2.gz	DFQBXKWCESJJPO-OLZOCXBDSA-N	-1	0	298.383	0.975	20	30		CCEDRM
C=C(C)CNC(=S)N1CCO[C@H](CC(=O)[O-])C1	ZINC000825642193	613346649	/nfs/dbraw/zinc/34/66/49/613346649.db2.gz	KBEBAPPAAFOUDB-SECBINFHSA-N	-1	0	258.343	0.613	20	30		CCEDRM
C=C(C)COCCNS(=O)(=O)C1(C(=O)[O-])CCC1	ZINC000905038829	613352237	/nfs/dbraw/zinc/35/22/37/613352237.db2.gz	QSJSFTVDIZTAFD-UHFFFAOYSA-N	-1	0	277.342	0.506	20	30		CCEDRM
C=C(C)CO[N-]C(=O)C(=O)Nc1cncc(OC(C)C)n1	ZINC000847533134	613352404	/nfs/dbraw/zinc/35/24/04/613352404.db2.gz	FLVVHJNTKXAKKM-UHFFFAOYSA-N	-1	0	294.311	0.826	20	30		CCEDRM
C=C(C)CO[N-]C(=O)CNS(=O)(=O)c1ccccc1N	ZINC000855026896	613352440	/nfs/dbraw/zinc/35/24/40/613352440.db2.gz	SBEADKVFUZLNIP-UHFFFAOYSA-N	-1	0	299.352	0.171	20	30		CCEDRM
C=C(C)CO[N-]C(=O)COCc1ocnc1C(=O)OC	ZINC000862132709	613352463	/nfs/dbraw/zinc/35/24/63/613352463.db2.gz	KNFMTAHILONJHU-UHFFFAOYSA-N	-1	0	284.268	0.602	20	30		CCEDRM
C=C(C)CO[N-]C(=O)CSCC(=O)N1CCOCC1	ZINC000846539832	613352513	/nfs/dbraw/zinc/35/25/13/613352513.db2.gz	GGCOCKOAGCKKRX-UHFFFAOYSA-N	-1	0	288.369	0.202	20	30		CCEDRM
C=C(C)CS(=O)(=O)N[C@@H]1CCO[C@@](C)(C(=O)[O-])C1	ZINC000906009276	613354199	/nfs/dbraw/zinc/35/41/99/613354199.db2.gz	LHHCEIVRQXDXSW-MWLCHTKSSA-N	-1	0	277.342	0.504	20	30		CCEDRM
C=C(C)C[C@@H](C)C(=O)[N-]S(=O)(=O)CCC(=O)OC	ZINC000842355741	613354345	/nfs/dbraw/zinc/35/43/45/613354345.db2.gz	NDMXISOVNHVWPA-SECBINFHSA-N	-1	0	277.342	0.598	20	30		CCEDRM
C=C(C)C[C@@H](NC(=O)CCc1cncn1C)C(=O)[O-]	ZINC000910292567	613355771	/nfs/dbraw/zinc/35/57/71/613355771.db2.gz	RKULKVOPENGXAE-LLVKDONJSA-N	-1	0	265.313	0.888	20	30		CCEDRM
C=C(C)C[C@@H](NC(=O)[C@@H](C)N1CCSCC1)C(=O)[O-]	ZINC000910292738	613355893	/nfs/dbraw/zinc/35/58/93/613355893.db2.gz	IBKWNOBXQBYFHO-GHMZBOCLSA-N	-1	0	286.397	0.959	20	30		CCEDRM
C=C(C)C[C@@H](NC(=O)NC[C@@H]1COCCO1)C(=O)[O-]	ZINC000864529714	613355899	/nfs/dbraw/zinc/35/58/99/613355899.db2.gz	YYAZQRVWDAYNNZ-NXEZZACHSA-N	-1	0	272.301	0.120	20	30		CCEDRM
C=C(C)C[C@@H](NC(C)=O)C(=O)[N-]OC1CCOCC1	ZINC000832390613	613356405	/nfs/dbraw/zinc/35/64/05/613356405.db2.gz	XAISCGZOKQSOTQ-GFCCVEGCSA-N	-1	0	270.329	0.684	20	30		CCEDRM
C=C(C)C[C@@H](NS(=O)(=O)CC1CCOCC1)C(=O)[O-]	ZINC000864451447	613356768	/nfs/dbraw/zinc/35/67/68/613356768.db2.gz	GQSCUMRBORCXIW-LLVKDONJSA-N	-1	0	291.369	0.752	20	30		CCEDRM
C=C(C)C[C@H](NC(=O)[C@@H]1CCc2nnn(C)c2C1)C(=O)[O-]	ZINC000910294942	613358914	/nfs/dbraw/zinc/35/89/14/613358914.db2.gz	SDHJEIUTVHRFGT-KOLCDFICSA-N	-1	0	292.339	0.456	20	30		CCEDRM
C=C(C)C[C@H](NC(=O)[C@@H]1CCc2cncn2C1)C(=O)[O-]	ZINC000910294364	613358973	/nfs/dbraw/zinc/35/89/73/613358973.db2.gz	QDHSMCYJVLPTSJ-PWSUYJOCSA-N	-1	0	277.324	0.981	20	30		CCEDRM
C=C(C)C[C@H](NC(C)=O)C(=O)[N-]OC(C)(C)CO	ZINC000854754149	613359342	/nfs/dbraw/zinc/35/93/42/613359342.db2.gz	ODQHINDGKICNTA-JTQLQIEISA-N	-1	0	258.318	0.276	20	30		CCEDRM
C=C(C)C[C@H](NC(C)=O)C(=O)[N-]S(=O)(=O)[C@@H](C)CC	ZINC000850941980	613359489	/nfs/dbraw/zinc/35/94/89/613359489.db2.gz	AUDYFRVTRVJSFY-ONGXEEELSA-N	-1	0	290.385	0.702	20	30		CCEDRM
C=C(C)C[C@H](NS(=O)(=O)[C@@H](C)COC)C(=O)[O-]	ZINC000864452858	613359929	/nfs/dbraw/zinc/35/99/29/613359929.db2.gz	TZSJGFBSAVXJSP-IUCAKERBSA-N	-1	0	265.331	0.360	20	30		CCEDRM
C=C(C)[C@H](CC(=O)Nc1n[nH]c(CC(=O)[O-])n1)OCC	ZINC000833368064	613362195	/nfs/dbraw/zinc/36/21/95/613362195.db2.gz	ZYTKRKWBMBTRQK-QMMMGPOBSA-N	-1	0	282.300	0.742	20	30		CCEDRM
C=C(C)[C@H]1OCC[C@H]1CNC(=O)Cn1ccc(C(=O)[O-])n1	ZINC000910252649	613363126	/nfs/dbraw/zinc/36/31/26/613363126.db2.gz	VXSFDHCOKAYKES-GXFFZTMASA-N	-1	0	293.323	0.679	20	30		CCEDRM
C=C(Cl)C[C@@H](NC(=O)COC[C@@H]1CCCO1)C(=O)[O-]	ZINC000864185207	613388434	/nfs/dbraw/zinc/38/84/34/613388434.db2.gz	WDWFKGPBUQVZOC-VHSXEESVSA-N	-1	0	291.731	0.894	20	30		CCEDRM
C=C(Cl)C[C@@H](NC(=O)c1nn(CC)nc1C)C(=O)[O-]	ZINC000910272842	613388696	/nfs/dbraw/zinc/38/86/96/613388696.db2.gz	XAJVTCJUOUIPED-MRVPVSSYSA-N	-1	0	286.719	0.932	20	30		CCEDRM
C=C(Cl)C[C@@H](NS(=O)(=O)CCCF)C(=O)[O-]	ZINC000863419637	613388761	/nfs/dbraw/zinc/38/87/61/613388761.db2.gz	DPTVCSSNLIYDIV-SSDOTTSWSA-N	-1	0	273.713	0.861	20	30		CCEDRM
C=C(Cl)C[C@H](NC(=O)N[C@H]1COC[C@H]1C)C(=O)[O-]	ZINC000905608617	613390643	/nfs/dbraw/zinc/39/06/43/613390643.db2.gz	QSZBZRSWEXVZMI-YEPSODPASA-N	-1	0	276.720	0.916	20	30		CCEDRM
C=C(Cl)C[C@H](NC(=O)NCCn1cccn1)C(=O)[O-]	ZINC000864522285	613390728	/nfs/dbraw/zinc/39/07/28/613390728.db2.gz	WEHHQEHBQNFGHH-VIFPVBQESA-N	-1	0	286.719	0.778	20	30		CCEDRM
C=C(Cl)C[C@H](NC(=O)c1ccn(C)n1)C(=O)[O-]	ZINC000910267032	613390842	/nfs/dbraw/zinc/39/08/42/613390842.db2.gz	QJEHJMSKSLXAKQ-QMMMGPOBSA-N	-1	0	257.677	0.746	20	30		CCEDRM
C=C(Cl)C[C@H](NC(=O)[C@H](C)S(C)(=O)=O)C(=O)[O-]	ZINC000864184252	613390844	/nfs/dbraw/zinc/39/08/44/613390844.db2.gz	LQCYHLIFSQTPCV-BQBZGAKWSA-N	-1	0	283.733	0.132	20	30		CCEDRM
C=CC[C@@H](CO)CNC(=O)CCSCC(=O)[O-]	ZINC000911651054	613401540	/nfs/dbraw/zinc/40/15/40/613401540.db2.gz	LGSNYQIFVJIAOG-SECBINFHSA-N	-1	0	261.343	0.495	20	30		CCEDRM
C=CC[C@H](CO)CNS(=O)(=O)N=[S@@](C)(=O)CC	ZINC000867057201	613416354	/nfs/dbraw/zinc/41/63/54/613416354.db2.gz	JJTGXUITIZIDJO-FVMDXXJSSA-N	-1	0	284.403	0.123	20	30		CCEDRM
C=C1[C@H](C(=O)[N-]OC(C)C)[C@@H]1C(=O)[N-]OC(C)C	ZINC000908570640	613418369	/nfs/dbraw/zinc/41/83/69/613418369.db2.gz	SLLDTSAOKFNFOW-AOOOYVTPSA-N	-1	0	256.302	0.701	20	30		CCEDRM
C=CC[C@H]1CCN(C(=O)N=c2nn[n-]n2CC)C1	ZINC000888320914	613421568	/nfs/dbraw/zinc/42/15/68/613421568.db2.gz	BTZBGRKXKYVUGW-VIFPVBQESA-N	-1	0	250.306	0.545	20	30		CCEDRM
C=CC(C)(C)C(=O)N(C)CC(=O)N1CCC[C@H](C(=O)[O-])C1	ZINC000909428270	613427609	/nfs/dbraw/zinc/42/76/09/613427609.db2.gz	SWDDRYAZKBMCJX-NSHDSACASA-N	-1	0	296.367	0.980	20	30		CCEDRM
C=CCn1cc(C(=O)N[C@H]2C[C@@H]3C[C@]3(C(=O)[O-])C2)nn1	ZINC000864211197	613431878	/nfs/dbraw/zinc/43/18/78/613431878.db2.gz	FHSYJKDHUXWFPR-ZDMBXUJBSA-N	-1	0	276.296	0.447	20	30		CCEDRM
C=C[C@@H](C)NC(=O)CN(C[C@@H]1CCCO1)C(=O)[O-]	ZINC000823491594	613442209	/nfs/dbraw/zinc/44/22/09/613442209.db2.gz	XYVCKYWXNSKMLA-ZJUUUORDSA-N	-1	0	256.302	0.836	20	30		CCEDRM
C=C[C@@H](C)O[N-]C(=O)C(=O)Nc1cc(N(C)C)ncn1	ZINC000846155593	613443243	/nfs/dbraw/zinc/44/32/43/613443243.db2.gz	HVFSGCVSFDIEPG-MRVPVSSYSA-N	-1	0	279.300	0.103	20	30		CCEDRM
C=C[C@@H](C)O[N-]C(=O)C(=O)Nc1ccc(C)[nH]c1=O	ZINC000846153849	613443291	/nfs/dbraw/zinc/44/32/91/613443291.db2.gz	LWNOLCVMADUYAY-MRVPVSSYSA-N	-1	0	265.269	0.656	20	30		CCEDRM
C=C[C@@H](C)ONC(=O)Cc1ccc(S(N)(=O)=O)cc1	ZINC000846544568	613443597	/nfs/dbraw/zinc/44/35/97/613443597.db2.gz	HJJIWGFHKCFBEJ-SECBINFHSA-N	-1	0	284.337	0.499	20	30		CCEDRM
C=C[C@@H](C)O[N-]C(=O)CN1C(=O)NC2(CCCC2)C1=O	ZINC000846542041	613443693	/nfs/dbraw/zinc/44/36/93/613443693.db2.gz	SJFHIGGPMQEOTM-SECBINFHSA-N	-1	0	281.312	0.473	20	30		CCEDRM
C=C[C@@H](C)O[N-]C(=O)Cn1c(C)ncc1[N+](=O)[O-]	ZINC000824033057	613443719	/nfs/dbraw/zinc/44/37/19/613443719.db2.gz	ASKXLJXDXBBNEA-SSDOTTSWSA-N	-1	0	254.246	0.722	20	30		CCEDRM
C=CC(C)(C)CC(=O)N[C@@H](C)C(=O)N[C@H](C)C(=O)[O-]	ZINC000910743751	613446123	/nfs/dbraw/zinc/44/61/23/613446123.db2.gz	QWTLPHHLKRMILD-DTWKUNHWSA-N	-1	0	270.329	0.683	20	30		CCEDRM
C=C[C@@H](C)O[N-]C(=O)[C@H]1COCCN1CC(F)F	ZINC000846550395	613447176	/nfs/dbraw/zinc/44/71/76/613447176.db2.gz	RQLJZRIMZVZGLS-RKDXNWHRSA-N	-1	0	264.272	0.575	20	30		CCEDRM
C=C[C@@H](C)O[N-]C(=O)[C@@H](C(C)C)N1CCCS1(=O)=O	ZINC000846549908	613447283	/nfs/dbraw/zinc/44/72/83/613447283.db2.gz	UNUHJZATDHHWMJ-GHMZBOCLSA-N	-1	0	290.385	0.669	20	30		CCEDRM
C=CC1(S(=O)(=O)[N-]C(=O)/C=C\c2cnn(C)c2)CC1	ZINC000870830859	613449813	/nfs/dbraw/zinc/44/98/13/613449813.db2.gz	JPVRMBXOFOALBL-PLNGDYQASA-N	-1	0	281.337	0.598	20	30		CCEDRM
C=CC1(S(=O)(=O)[N-]C(=O)Cc2cccc(N)c2)CC1	ZINC000901064362	613450816	/nfs/dbraw/zinc/45/08/16/613450816.db2.gz	NWYRXORGSQFAID-UHFFFAOYSA-N	-1	0	280.349	0.976	20	30		CCEDRM
C=CC1(S(=O)(=O)[N-]C(=O)[C@@H]2CSCCS2)CC1	ZINC000870835716	613451149	/nfs/dbraw/zinc/45/11/49/613451149.db2.gz	QFFAARRZPJYWBW-QMMMGPOBSA-N	-1	0	293.435	1.000	20	30		CCEDRM
C=C[C@@H](O)C(=O)N1Cc2ccccc2[C@@H](C(=O)[O-])C1	ZINC000909424118	613451357	/nfs/dbraw/zinc/45/13/57/613451357.db2.gz	LUWRSMGBSIQTAY-NWDGAFQWSA-N	-1	0	261.277	0.744	20	30		CCEDRM
C=CC1(S(=O)(=O)[N-]C(=O)[C@H](C)CC(=O)OC)CC1	ZINC000870834418	613451694	/nfs/dbraw/zinc/45/16/94/613451694.db2.gz	ZESZQJONZATMNC-MRVPVSSYSA-N	-1	0	275.326	0.350	20	30		CCEDRM
C=CC1(S(=O)(=O)[N-]C(=O)c2cnn3c2CCC3)CC1	ZINC000870837274	613452187	/nfs/dbraw/zinc/45/21/87/613452187.db2.gz	FSPDMSODDFDXOO-UHFFFAOYSA-N	-1	0	281.337	0.608	20	30		CCEDRM
C=C[C@@H](O)C(=O)N[C@@](C)(CC(=O)[O-])c1ccncc1	ZINC000911620246	613452534	/nfs/dbraw/zinc/45/25/34/613452534.db2.gz	OJNOYDVHWUOAQV-MFKMUULPSA-N	-1	0	264.281	0.435	20	30		CCEDRM
C=C[C@@H](O)C(=O)N[C@H](Cc1cccc(OC)c1)C(=O)[O-]	ZINC000910211312	613452552	/nfs/dbraw/zinc/45/25/52/613452552.db2.gz	JKWYRFDPMVXEBX-VXGBXAGGSA-N	-1	0	279.292	0.354	20	30		CCEDRM
C=CCC(F)(F)C(=O)[N-]S(=O)(=O)C[C@@H]1CCOC1	ZINC000815997812	613454869	/nfs/dbraw/zinc/45/48/69/613454869.db2.gz	XSVVEYSNRVLSJT-MRVPVSSYSA-N	-1	0	283.296	0.680	20	30		CCEDRM
C=CCC1(S(=O)(=O)[N-]C(=O)CC2OCCCO2)CC1	ZINC000810987492	613460769	/nfs/dbraw/zinc/46/07/69/613460769.db2.gz	NNWNNUXFMJKPOW-UHFFFAOYSA-N	-1	0	289.353	0.694	20	30		CCEDRM
C=CCC1(S(=O)(=O)[N-]C(=O)[C@@H](NC=O)C(C)C)CC1	ZINC000860771717	613461403	/nfs/dbraw/zinc/46/14/03/613461403.db2.gz	BHEVVXDDVYWKHI-JTQLQIEISA-N	-1	0	288.369	0.312	20	30		CCEDRM
C=CCCC(=O)N1CCC[C@H]1C(=O)NCC(=O)[O-]	ZINC000910760145	613461790	/nfs/dbraw/zinc/46/17/90/613461790.db2.gz	HJKZUUZXUSNXJJ-VIFPVBQESA-N	-1	0	254.286	0.144	20	30		CCEDRM
C=C[C@@H]1OCC[C@H]1C(=O)[N-]S(=O)(=O)N(C)C(C)C	ZINC000835141863	613465814	/nfs/dbraw/zinc/46/58/14/613465814.db2.gz	MQAQRYVWFVGAAD-ZJUUUORDSA-N	-1	0	276.358	0.279	20	30		CCEDRM
C=CCCCS(=O)(=O)N1C[C@H]2[C@H](C(=O)[O-])[C@H]2C1	ZINC000899938836	613469152	/nfs/dbraw/zinc/46/91/52/613469152.db2.gz	ZQLNMRNZNNUTAU-MYJAWHEDSA-N	-1	0	259.327	0.545	20	30		CCEDRM
C=CCCCS(=O)(=O)[N-]c1nc2cnccn2n1	ZINC000886420212	613469766	/nfs/dbraw/zinc/46/97/66/613469766.db2.gz	ZOGBPCDEIJJHCB-UHFFFAOYSA-N	-1	0	267.314	0.832	20	30		CCEDRM
C=CCCCS(=O)(=O)N[C@H](CSC)C(=O)[O-]	ZINC000903054096	613469843	/nfs/dbraw/zinc/46/98/43/613469843.db2.gz	GABACFAIFXFZFR-MRVPVSSYSA-N	-1	0	267.372	0.688	20	30		CCEDRM
C=CCCC[C@@H](NC(=O)c1cncn1C)C(=O)[O-]	ZINC000910922945	613471554	/nfs/dbraw/zinc/47/15/54/613471554.db2.gz	PDMDDQOSHVNDSV-SECBINFHSA-N	-1	0	251.286	0.959	20	30		CCEDRM
C=CCCC[C@H](NC(=O)c1ccn(C)c(=O)c1)C(=O)[O-]	ZINC000910914276	613474042	/nfs/dbraw/zinc/47/40/42/613474042.db2.gz	FMEKDUJSXAGWIP-NSHDSACASA-N	-1	0	278.308	0.925	20	30		CCEDRM
C=CCCC[C@H](NC(=O)[C@H]1CN(CC)CCO1)C(=O)[O-]	ZINC000910916684	613474489	/nfs/dbraw/zinc/47/44/89/613474489.db2.gz	ICRAMMRPKGHION-NWDGAFQWSA-N	-1	0	284.356	0.633	20	30		CCEDRM
C=CCCC[C@H](NS(=O)(=O)[C@H]1CCO[C@@H]1C)C(=O)[O-]	ZINC000903057783	613474758	/nfs/dbraw/zinc/47/47/58/613474758.db2.gz	AIINEGKUVXTKBD-VWYCJHECSA-N	-1	0	291.369	0.893	20	30		CCEDRM
C=CCCN1C(=O)N[C@@]2(CCN(C(=O)[O-])C2)C1=O	ZINC000823496196	613476864	/nfs/dbraw/zinc/47/68/64/613476864.db2.gz	FQWKBEALDIHTPX-LLVKDONJSA-N	-1	0	253.258	0.237	20	30		CCEDRM
C=C[C@@](C)(CCOC)C(=O)NCCn1cnc(C(=O)[O-])c1	ZINC000909910869	613476940	/nfs/dbraw/zinc/47/69/40/613476940.db2.gz	PRIIEHYDKDYHFY-AWEZNQCLSA-N	-1	0	295.339	0.926	20	30		CCEDRM
C=C[C@@](C)(O)C(=O)N1CCC[C@@](COC)(C(=O)[O-])C1	ZINC000909717006	613477423	/nfs/dbraw/zinc/47/74/23/613477423.db2.gz	WBANNWWOCAQXCQ-CHWSQXEVSA-N	-1	0	271.313	0.263	20	30		CCEDRM
C=C[C@H](C)O[N-]C(=O)C(=O)Nc1cc(CCC)nn1C	ZINC000846154760	613483769	/nfs/dbraw/zinc/48/37/69/613483769.db2.gz	SCBXIDJJUSBAHG-VIFPVBQESA-N	-1	0	280.328	0.933	20	30		CCEDRM
C=C[C@H](C)O[N-]C(=O)Cn1nnc2c1CCCC2	ZINC000848246036	613484479	/nfs/dbraw/zinc/48/44/79/613484479.db2.gz	URWXDZBPWJVDQJ-VIFPVBQESA-N	-1	0	250.302	0.779	20	30		CCEDRM
C=C[C@H](C)O[N-]C(=O)[C@H](NS(C)(=O)=O)C(C)(C)C	ZINC000846550917	613488205	/nfs/dbraw/zinc/48/82/05/613488205.db2.gz	ZQZMHQYJBGRUPI-IUCAKERBSA-N	-1	0	278.374	0.573	20	30		CCEDRM
C=C[C@H](O)C(=O)N[C@@H](C)c1ccc(OCC(=O)[O-])cc1	ZINC000909788201	613496991	/nfs/dbraw/zinc/49/69/91/613496991.db2.gz	GNCNUFMHFPNFHE-CABZTGNLSA-N	-1	0	279.292	0.874	20	30		CCEDRM
C=C[C@H](O)C(=O)N[C@]1(C(=O)[O-])C[C@H](OCC)C1(C)C	ZINC000909603814	613497793	/nfs/dbraw/zinc/49/77/93/613497793.db2.gz	UWUZKPQIDIKKSX-RVBZMBCESA-N	-1	0	271.313	0.308	20	30		CCEDRM
C=C[C@H]1CCCCN1C(=O)C(=O)NC[C@H](CC)C(=O)[O-]	ZINC000927958926	613500905	/nfs/dbraw/zinc/50/09/05/613500905.db2.gz	FSFPQGITYJSWBE-QWRGUYRKSA-N	-1	0	282.340	0.781	20	30		CCEDRM
C=C[C@](C)(O)C(=O)NCCc1ccccc1C(=O)[O-]	ZINC000923130639	613507087	/nfs/dbraw/zinc/50/70/87/613507087.db2.gz	YKSWCRWXWDSPOR-AWEZNQCLSA-N	-1	0	263.293	0.981	20	30		CCEDRM
CC#CCCNC(=O)N(C)[C@@H](COCC)C(=O)[O-]	ZINC000909032694	613521579	/nfs/dbraw/zinc/52/15/79/613521579.db2.gz	ZZQVQGIUKPQPQY-JTQLQIEISA-N	-1	0	256.302	0.531	20	30		CCEDRM
C=CCCNC(=O)N1CCC(c2n[nH]c(=O)[n-]2)CC1	ZINC000923223985	613568890	/nfs/dbraw/zinc/56/88/90/613568890.db2.gz	AVWVXLCTCRNGAK-UHFFFAOYSA-N	-1	0	265.317	0.975	20	30		CCEDRM
C=CCCOCC(=O)N1CCC[C@H]1CNC(=O)[O-]	ZINC000823496139	613571720	/nfs/dbraw/zinc/57/17/20/613571720.db2.gz	DLSDCWJIJUNHET-JTQLQIEISA-N	-1	0	256.302	0.838	20	30		CCEDRM
C=CCCO[N-]C(=O)C1(O)CN(C(=O)OC(C)(C)C)C1	ZINC000856036304	613576180	/nfs/dbraw/zinc/57/61/80/613576180.db2.gz	ZITJCZZCRCLWTK-UHFFFAOYSA-N	-1	0	286.328	0.592	20	30		CCEDRM
C=CCCO[N-]C(=O)Cn1cc([N+](=O)[O-])nc1C	ZINC000856031469	613576630	/nfs/dbraw/zinc/57/66/30/613576630.db2.gz	QHEINTIVRZHSNW-UHFFFAOYSA-N	-1	0	254.246	0.724	20	30		CCEDRM
C=CCCO[N-]C(=O)[C@H]1C[C@@H](C)[C@H](C(=O)OC)O1	ZINC000869282337	613577111	/nfs/dbraw/zinc/57/71/11/613577111.db2.gz	HVKKEVZNELXDLB-OPRDCNLKSA-N	-1	0	257.286	0.577	20	30		CCEDRM
C=CCCO[N-]C(=O)[C@H](O)[C@@H](O)c1nc2ccccc2[nH]1	ZINC000856033187	613577239	/nfs/dbraw/zinc/57/72/39/613577239.db2.gz	ASHCHVJQQSCBGR-VXGBXAGGSA-N	-1	0	291.307	0.581	20	30		CCEDRM
C=CCCS(=O)(=O)NCC(C)(C)NC(=O)[O-]	ZINC000823500416	613581113	/nfs/dbraw/zinc/58/11/13/613581113.db2.gz	FMKHPAOTVTVEGV-UHFFFAOYSA-N	-1	0	250.320	0.528	20	30		CCEDRM
C=CCCS(=O)(=O)N[C@H]1CCO[C@@](C)(C(=O)[O-])C1	ZINC000906007751	613582156	/nfs/dbraw/zinc/58/21/56/613582156.db2.gz	CADDSECYJVYNDC-GXSJLCMTSA-N	-1	0	277.342	0.504	20	30		CCEDRM
C=CCC[C@@H](NC(=O)[C@@H](O)C1CCOCC1)C(=O)[O-]	ZINC000909714646	613585018	/nfs/dbraw/zinc/58/50/18/613585018.db2.gz	YYQPCXOSESNUTG-MNOVXSKESA-N	-1	0	271.313	0.310	20	30		CCEDRM
C=CCC[C@H](NS(=O)(=O)CC1(F)CC1)C(=O)[O-]	ZINC000903834941	613590416	/nfs/dbraw/zinc/59/04/16/613590416.db2.gz	XCJHGWYDVWTQAD-QMMMGPOBSA-N	-1	0	265.306	0.827	20	30		CCEDRM
C=CCC[C@H](NC(=O)[C@@H]1C[C@]12CCOC2)C(=O)[O-]	ZINC000909715583	613589860	/nfs/dbraw/zinc/58/98/60/613589860.db2.gz	NAXIZYNPAMUPOF-KWBADKCTSA-N	-1	0	253.298	0.949	20	30		CCEDRM
C=CCN(CC(=O)[O-])C(=O)CC1CCN(OC)CC1	ZINC000909515927	613641810	/nfs/dbraw/zinc/64/18/10/613641810.db2.gz	IJGQZPJWWFYPHV-UHFFFAOYSA-N	-1	0	270.329	0.749	20	30		CCEDRM
C=CCN(CC(=O)[O-])C(=O)[C@H](C)N(C)CC(F)(F)F	ZINC000909516888	613643247	/nfs/dbraw/zinc/64/32/47/613643247.db2.gz	RLFFQVCCKZXSLU-QMMMGPOBSA-N	-1	0	282.262	0.968	20	30		CCEDRM
C=CCN(CC(=O)[O-])C(=O)[C@@H]1OCCO[C@@H]1C(F)(F)F	ZINC000864136276	613643309	/nfs/dbraw/zinc/64/33/09/613643309.db2.gz	VROFXVBVWAYZJK-BDAKNGLRSA-N	-1	0	297.229	0.432	20	30		CCEDRM
C=CCN(CC(=O)[O-])C(=O)[C@@H]1CCc2cnc(C)n2C1	ZINC000864134718	613643311	/nfs/dbraw/zinc/64/33/11/613643311.db2.gz	BNCIZCVFCRUEOG-LLVKDONJSA-N	-1	0	277.324	0.853	20	30		CCEDRM
C=CCN(CC(=O)[O-])C(=O)N[C@H](COC)[C@H]1CCCO1	ZINC000929049030	613643316	/nfs/dbraw/zinc/64/33/16/613643316.db2.gz	HZCAKHXUSKAYTM-GHMZBOCLSA-N	-1	0	286.328	0.463	20	30		CCEDRM
C=CCN(CC(=O)[O-])C(=O)c1cc(CO)c(C)o1	ZINC000909515487	613643716	/nfs/dbraw/zinc/64/37/16/613643716.db2.gz	UXEROOXIDIBTGV-UHFFFAOYSA-N	-1	0	253.254	0.793	20	30		CCEDRM
C=CCN(CC(=O)[O-])C(=O)c1cnn(CCOC)c1C	ZINC000909516583	613643809	/nfs/dbraw/zinc/64/38/09/613643809.db2.gz	IQQHQUHLHQAXTA-UHFFFAOYSA-N	-1	0	281.312	0.551	20	30		CCEDRM
CC#CCS(=O)(=O)[N-]C(=O)CCNC(=O)CC(C)C	ZINC000810775282	613645871	/nfs/dbraw/zinc/64/58/71/613645871.db2.gz	ZFSUXJCNILYVSW-UHFFFAOYSA-N	-1	0	288.369	0.008	20	30		CCEDRM
CC#CCS(=O)(=O)[N-]C(=O)CN1CCc2ccccc21	ZINC000810776122	613645874	/nfs/dbraw/zinc/64/58/74/613645874.db2.gz	HCSNKQYAFCWBJD-UHFFFAOYSA-N	-1	0	292.360	0.518	20	30		CCEDRM
CC#CCS(=O)(=O)[N-]C(=O)COCc1cccnc1	ZINC000810773347	613645905	/nfs/dbraw/zinc/64/59/05/613645905.db2.gz	AQXGZJAEKSDUFL-UHFFFAOYSA-N	-1	0	282.321	0.068	20	30		CCEDRM
CC#CCS(=O)(=O)[N-]C(=O)Cc1cn2ccccc2n1	ZINC000810777773	613646118	/nfs/dbraw/zinc/64/61/18/613646118.db2.gz	OTZUNRZONSTJKB-UHFFFAOYSA-N	-1	0	291.332	0.346	20	30		CCEDRM
CC#CCS(=O)(=O)[N-]C(=O)C[C@H](OCC)C(C)C	ZINC000810770844	613646123	/nfs/dbraw/zinc/64/61/23/613646123.db2.gz	BXCLLTCTWJLYSI-NSHDSACASA-N	-1	0	275.370	0.907	20	30		CCEDRM
CC#CCS(=O)(=O)[N-]C(=O)C[C@H]1CCCOC1	ZINC000810775325	613646147	/nfs/dbraw/zinc/64/61/47/613646147.db2.gz	AYOAWHLAKNDVMF-SNVBAGLBSA-N	-1	0	259.327	0.272	20	30		CCEDRM
CC#CCS(=O)(=O)[N-]C(=O)Cc1ccc(C#N)cc1	ZINC000810772207	613646154	/nfs/dbraw/zinc/64/61/54/613646154.db2.gz	WIPUZLHHQDYYOF-UHFFFAOYSA-N	-1	0	276.317	0.570	20	30		CCEDRM
CC#CCS(=O)(=O)[N-]C(=O)[C@@H]1CCCCS1	ZINC000810773508	613646547	/nfs/dbraw/zinc/64/65/47/613646547.db2.gz	AWVDBDJVYTYZRC-VIFPVBQESA-N	-1	0	261.368	0.741	20	30		CCEDRM
CC#CCS(=O)(=O)[N-]C(=O)[C@@H]1C[C@@H]1[C@@H]1C[C@@H]1C	ZINC000870332661	613646555	/nfs/dbraw/zinc/64/65/55/613646555.db2.gz	XWAIJMIGPPDQHC-LNFKQOIKSA-N	-1	0	255.339	0.748	20	30		CCEDRM
CC#CCS(=O)(=O)[N-]C(=O)[C@@H]1CC[C@@H]2C[C@@H]2C1	ZINC000817732441	613646597	/nfs/dbraw/zinc/64/65/97/613646597.db2.gz	ILGGYRWFJXITFY-GMTAPVOTSA-N	-1	0	255.339	0.892	20	30		CCEDRM
CC#CCS(=O)(=O)[N-]C(=O)[C@H](C)OCCC(C)C	ZINC000810777187	613647050	/nfs/dbraw/zinc/64/70/50/613647050.db2.gz	CIWSHTLKBNFGEF-NSHDSACASA-N	-1	0	275.370	0.907	20	30		CCEDRM
CC#CCS(=O)(=O)[N-]C(=O)c1ccc(C#N)cc1C	ZINC000810771227	613647496	/nfs/dbraw/zinc/64/74/96/613647496.db2.gz	IIDFAZQGAUYJCG-UHFFFAOYSA-N	-1	0	276.317	0.950	20	30		CCEDRM
CC#CCS(=O)(=O)[N-]C(=O)c1ccc(C)[nH]c1=O	ZINC000810774259	613647525	/nfs/dbraw/zinc/64/75/25/613647525.db2.gz	FYTNPSOVZAVHJV-UHFFFAOYSA-N	-1	0	268.294	0.179	20	30		CCEDRM
C=CCN(CC=C)C(=O)C[C@@H]1CN(C(=O)[O-])CCO1	ZINC000823500994	613647607	/nfs/dbraw/zinc/64/76/07/613647607.db2.gz	OUUYZIQMJJGHJT-LLVKDONJSA-N	-1	0	268.313	0.956	20	30		CCEDRM
CC#CCS(=O)(=O)[N-]C(=O)c1cc(C(=O)OC)co1	ZINC000810772267	613647627	/nfs/dbraw/zinc/64/76/27/613647627.db2.gz	XXPOPGSOAFXNBL-UHFFFAOYSA-N	-1	0	285.277	0.149	20	30		CCEDRM
CC(=O)CCCC(=O)[N-]S(=O)(=O)CC1(C#N)CCC1	ZINC000755854656	613670538	/nfs/dbraw/zinc/67/05/38/613670538.db2.gz	CNPSGKQOFREDNA-UHFFFAOYSA-N	-1	0	286.353	0.886	20	30		CCEDRM
C=CC[N@H+]1CCC[C@H]([N-]C(=O)C(F)(F)F)[C@H]1C(=O)[O-]	ZINC000852734391	613706334	/nfs/dbraw/zinc/70/63/34/613706334.db2.gz	APBRVEJIJNWDFT-YUMQZZPRSA-N	-1	0	280.246	0.769	20	30		CCEDRM
CC(=O)N1CCC(=NNCC(=O)[O-])c2ccccc21	ZINC000857210435	613797811	/nfs/dbraw/zinc/79/78/11/613797811.db2.gz	QFXAVAJDGJZUEB-UHFFFAOYSA-N	-1	0	261.281	0.822	20	30		CCEDRM
C=CCNC(=O)C(=O)Nc1scc(C(=O)[O-])c1C	ZINC000833377234	613845041	/nfs/dbraw/zinc/84/50/41/613845041.db2.gz	SKYYXMKPFPKJGN-UHFFFAOYSA-N	-1	0	268.294	0.995	20	30		CCEDRM
C=CCNC(=O)CNC(=O)Nc1nc(CC(=O)[O-])cs1	ZINC000833377026	613846475	/nfs/dbraw/zinc/84/64/75/613846475.db2.gz	YWIQPTCDIVITEZ-UHFFFAOYSA-N	-1	0	298.324	0.194	20	30		CCEDRM
C=CCNC(=O)[C@@H](C)OC(=O)C(C)(C)CNC(=O)[O-]	ZINC000823507120	613853616	/nfs/dbraw/zinc/85/36/16/613853616.db2.gz	SOKRYHLHHHMWFY-MRVPVSSYSA-N	-1	0	272.301	0.514	20	30		CCEDRM
C=CCNC(=O)C(C#N)=C([O-])c1nccnc1SC	ZINC000892488937	613854959	/nfs/dbraw/zinc/85/49/59/613854959.db2.gz	AVTFEWSDNXWGKD-MRVPVSSYSA-N	-1	0	276.321	0.823	20	30		CCEDRM
C=CCNC(=O)[C@H](C)OC(=O)C[C@@H](C)NC(=O)[O-]	ZINC000823507392	613855529	/nfs/dbraw/zinc/85/55/29/613855529.db2.gz	WWMJGHINCQXAJM-SFYZADRCSA-N	-1	0	258.274	0.267	20	30		CCEDRM
C=CCOCC(=O)N1Cc2cc(C(=O)[O-])nn2C[C@@H]1C	ZINC000908430186	613879291	/nfs/dbraw/zinc/87/92/91/613879291.db2.gz	BSXSNCNYHTVQTJ-VIFPVBQESA-N	-1	0	279.296	0.515	20	30		CCEDRM
C=CCOCC(=O)NCc1nc(C)c(C(=O)[O-])s1	ZINC000909502249	613879412	/nfs/dbraw/zinc/87/94/12/613879412.db2.gz	PPZJMLMRRVLZHY-UHFFFAOYSA-N	-1	0	270.310	0.969	20	30		CCEDRM
C=CCOCC(=O)N[C@H](C[C@@H]1CCCOC1)C(=O)[O-]	ZINC000910235047	613879462	/nfs/dbraw/zinc/87/94/62/613879462.db2.gz	BGSZDHOHSOPFKR-WDEREUQCSA-N	-1	0	271.313	0.575	20	30		CCEDRM
C=CCOCCNC(=O)N[C@@H](C[C@@H]1CCCO1)C(=O)[O-]	ZINC000905539639	613880941	/nfs/dbraw/zinc/88/09/41/613880941.db2.gz	SPNLOQPEBDRDLH-QWRGUYRKSA-N	-1	0	286.328	0.511	20	30		CCEDRM
C=CCOCCOC(=O)c1cc(=O)[n-]c(OC)n1	ZINC000815233133	613881283	/nfs/dbraw/zinc/88/12/83/613881283.db2.gz	AJPJTUWLUNYEAA-UHFFFAOYSA-N	-1	0	254.242	0.550	20	30		CCEDRM
C=CCOC[C@@H](NC(=O)C1(COC)CCCC1)C(=O)[O-]	ZINC000909769906	613881576	/nfs/dbraw/zinc/88/15/76/613881576.db2.gz	CAPVRYIXGFGNOH-LLVKDONJSA-N	-1	0	285.340	0.965	20	30		CCEDRM
C=CCOC[C@H](NC(=O)[C@@H]1CCCC[C@H]1OC)C(=O)[O-]	ZINC000909772872	613882476	/nfs/dbraw/zinc/88/24/76/613882476.db2.gz	XKSGBXPKXIGMAM-GRYCIOLGSA-N	-1	0	285.340	0.964	20	30		CCEDRM
C=CCOC[C@H](NC(=O)N[C@@H]1CO[C@@H](C)C1)C(=O)[O-]	ZINC000909038577	613882495	/nfs/dbraw/zinc/88/24/95/613882495.db2.gz	YNAIZIPAPTUZCR-GUBZILKMSA-N	-1	0	272.301	0.119	20	30		CCEDRM
C=CCOC[C@H](NC(=O)[C@@H]1C[C@H]1c1cnn(C)c1)C(=O)[O-]	ZINC000909769968	613882621	/nfs/dbraw/zinc/88/26/21/613882621.db2.gz	FZPTYLLJCBKFOP-TUAOUCFPSA-N	-1	0	293.323	0.296	20	30		CCEDRM
C=CCOC[C@H](NC(=O)[C@H]1C[C@H]1c1cnn(C)c1)C(=O)[O-]	ZINC000909769966	613882649	/nfs/dbraw/zinc/88/26/49/613882649.db2.gz	FZPTYLLJCBKFOP-SRVKXCTJSA-N	-1	0	293.323	0.296	20	30		CCEDRM
C=CCOC[C@H](NC(=O)[C@]1(OC)CCSC1)C(=O)[O-]	ZINC000909765816	613882656	/nfs/dbraw/zinc/88/26/56/613882656.db2.gz	FPPAHFFGUFFPBQ-CABZTGNLSA-N	-1	0	289.353	0.281	20	30		CCEDRM
C=CCOC[C@H](NC(=O)c1cc(N(C)C)ccn1)C(=O)[O-]	ZINC000909772340	613882665	/nfs/dbraw/zinc/88/26/65/613882665.db2.gz	XWUKQMWMVIETLH-LBPRGKRZSA-N	-1	0	293.323	0.533	20	30		CCEDRM
C=CCO[N-]C(=O)C(=O)Nc1cc(C)cnc1OCC	ZINC000835970111	613883039	/nfs/dbraw/zinc/88/30/39/613883039.db2.gz	OIPRBPPXUGRPKP-UHFFFAOYSA-N	-1	0	279.296	0.961	20	30		CCEDRM
C=CCO[N-]C(=O)CNC(=O)NC1CCCCC1	ZINC000837044113	613883136	/nfs/dbraw/zinc/88/31/36/613883136.db2.gz	JAWSHSVBPMBGJG-UHFFFAOYSA-N	-1	0	255.318	0.852	20	30		CCEDRM
C=CCS(=O)(=O)[N-]C(=O)Cc1ccc(OC)cn1	ZINC000821627968	613886123	/nfs/dbraw/zinc/88/61/23/613886123.db2.gz	VZOCZQVRSWCUHM-UHFFFAOYSA-N	-1	0	270.310	0.265	20	30		CCEDRM
C=CCS(=O)(=O)[N-]C(=O)[C@@H](NC(C)=O)C1CCCC1	ZINC000132807021	613886223	/nfs/dbraw/zinc/88/62/23/613886223.db2.gz	VEYDKCXDCXYMCM-NSHDSACASA-N	-1	0	288.369	0.313	20	30		CCEDRM
C=CCS(=O)(=O)[N-]C(=O)[C@@H]1CCc2cnn(C)c2C1	ZINC000798844915	613886232	/nfs/dbraw/zinc/88/62/32/613886232.db2.gz	FOFOJWCICDYWKF-SECBINFHSA-N	-1	0	283.353	0.157	20	30		CCEDRM
C=CCS(=O)(=O)[N-]C(=O)c1ccc2oc(=O)[nH]c2c1	ZINC000805902709	613886268	/nfs/dbraw/zinc/88/62/68/613886268.db2.gz	URRRJRYFRPKDDF-UHFFFAOYSA-N	-1	0	282.277	0.779	20	30		CCEDRM
C=CCS(=O)(=O)[N-]C(=O)c1cc2nc[nH]c2cc1F	ZINC000821627718	613886320	/nfs/dbraw/zinc/88/63/20/613886320.db2.gz	MKGMCUGRHVEBIV-UHFFFAOYSA-N	-1	0	283.284	0.948	20	30		CCEDRM
CC(C)(C)OC(=O)C[C@](C)(C#N)C(=O)NCC(=O)[O-]	ZINC000819915069	613970422	/nfs/dbraw/zinc/97/04/22/613970422.db2.gz	SVENTYDTZJGOKW-GFCCVEGCSA-N	-1	0	270.285	0.449	20	30		CCEDRM
CC(C)OCCCNC(=O)C(C#N)=C([O-])c1cccnn1	ZINC000860463017	614013004	/nfs/dbraw/zinc/01/30/04/614013004.db2.gz	KFTBCQMXLCQKMD-NSHDSACASA-N	-1	0	290.323	0.730	20	30		CCEDRM
CC(C)COC(=O)[C@H](C)NC(=O)[C@](C)(C#N)CC(=O)[O-]	ZINC000819980429	614160845	/nfs/dbraw/zinc/16/08/45/614160845.db2.gz	QNSGXTMAPRRXHF-ZANVPECISA-N	-1	0	284.312	0.695	20	30		CCEDRM
CC(C)([N-]C(=O)C(F)(F)F)C(=O)NCC1(C#N)CC1	ZINC000797780526	614164312	/nfs/dbraw/zinc/16/43/12/614164312.db2.gz	MGUJEOAMVATJNZ-UHFFFAOYSA-N	-1	0	277.246	0.863	20	30		CCEDRM
CC(C)(NC(=O)[O-])c1noc(CN2CCOC[C@@H]2C#N)n1	ZINC000824029794	614167658	/nfs/dbraw/zinc/16/76/58/614167658.db2.gz	OEQNBYDHEVWPGV-QMMMGPOBSA-N	-1	0	295.299	0.297	20	30		CCEDRM
CC(C)[C@H](F)C(=O)N1CC(n2cc(C#N)c(=O)[n-]c2=O)C1	ZINC000863934534	614216508	/nfs/dbraw/zinc/21/65/08/614216508.db2.gz	KOGOBEWVDHGJHQ-JTQLQIEISA-N	-1	0	294.286	0.198	20	30		CCEDRM
CC(C)Cc1noc(CN2CCN(C(=O)[O-])C[C@H]2C#N)n1	ZINC000824311274	614233827	/nfs/dbraw/zinc/23/38/27/614233827.db2.gz	LVNWZARXHXGOFK-SNVBAGLBSA-N	-1	0	293.327	0.956	20	30		CCEDRM
CC(C)[C@H](NC(=O)[O-])C(=O)OC1CCN(CC#N)CC1	ZINC000824144282	614234576	/nfs/dbraw/zinc/23/45/76/614234576.db2.gz	VDMALBLDHWDNFD-NSHDSACASA-N	-1	0	283.328	0.810	20	30		CCEDRM
CC(C)N(CC(=O)[O-])CC(=O)NCc1ccc(C#N)cc1	ZINC000820014859	614288115	/nfs/dbraw/zinc/28/81/15/614288115.db2.gz	FHORRZMFLSANDO-UHFFFAOYSA-N	-1	0	289.335	0.969	20	30		CCEDRM
CC(C)c1n[nH]c(C(=O)N(CC#N)CC(=O)[O-])c1[N+](=O)[O-]	ZINC000827097516	614297191	/nfs/dbraw/zinc/29/71/91/614297191.db2.gz	OWBWOTZLKWIMEA-UHFFFAOYSA-N	-1	0	295.255	0.492	20	30		CCEDRM
Cc1nc(-c2nnn[n-]2)c(N=NC(C)CCO)o1	ZINC000820243191	614378606	/nfs/dbraw/zinc/37/86/06/614378606.db2.gz	XUHXKOPSQARFMF-UHFFFAOYSA-N	-1	0	251.250	0.333	20	30		CCEDRM
CCC#CCOC(=O)Cc1c(C)nc2cc[n-]n2c1=O	ZINC000893838158	614443288	/nfs/dbraw/zinc/44/32/88/614443288.db2.gz	BIANFRGHRNISNK-UHFFFAOYSA-N	-1	0	273.292	0.830	20	30		CCEDRM
CCC(=O)N1CCC(=NNc2nc(=O)c(C)n[n-]2)CC1	ZINC000144335538	614508743	/nfs/dbraw/zinc/50/87/43/614508743.db2.gz	GUWRSDDRSWBAAV-UHFFFAOYSA-N	-1	0	278.316	0.274	20	30		CCEDRM
C[C@](C#N)(CC(=O)[O-])C(=O)N1CCOC(C)(C)C1	ZINC000820211912	614595101	/nfs/dbraw/zinc/59/51/01/614595101.db2.gz	MXQDNSPQYWVWDJ-GFCCVEGCSA-N	-1	0	254.286	0.628	20	30		CCEDRM
CCN(C(C)=O)c1nc(C=NNCC(=O)[O-])cs1	ZINC000814956918	614829260	/nfs/dbraw/zinc/82/92/60/614829260.db2.gz	PMSFFBBKPHDGPI-UHFFFAOYSA-N	-1	0	270.314	0.524	20	30		CCEDRM
C[C@@](C#N)(CC(=O)[O-])C(=O)NC1CCC(C)(O)CC1	ZINC000820214988	614929898	/nfs/dbraw/zinc/92/98/98/614929898.db2.gz	OBOUDTMBZQWGCI-YHECAPGISA-N	-1	0	268.313	0.801	20	30		CCEDRM
CCN(CC(=O)[O-])C(=O)C#Cc1ccc2c(c1)OCO2	ZINC000829624045	614944044	/nfs/dbraw/zinc/94/40/44/614944044.db2.gz	LPCJJJNHUDBSQS-UHFFFAOYSA-N	-1	0	275.260	0.700	20	30		CCEDRM
CCCOc1cccnc1C(=O)[N-]S(=O)(=O)CCC#N	ZINC000835408255	614953882	/nfs/dbraw/zinc/95/38/82/614953882.db2.gz	FCYDHKRNPAEHKZ-UHFFFAOYSA-N	-1	0	297.336	0.844	20	30		CCEDRM
CCN(CC)C(=O)CN(C)C(=O)[C@](C)(C#N)CC(=O)[O-]	ZINC000820338626	614964470	/nfs/dbraw/zinc/96/44/70/614964470.db2.gz	GKNQXAQTNHJBEI-ZDUSSCGKSA-N	-1	0	283.328	0.318	20	30		CCEDRM
CC1CC(C#N)(C(=O)N[C@H]2CCN(C(=O)[O-])C2)C1	ZINC000825783739	615010918	/nfs/dbraw/zinc/01/09/18/615010918.db2.gz	NJFGOTAPVYZLIC-XEVUQIKYSA-N	-1	0	251.286	0.795	20	30		CCEDRM
CCOC(=O)CC(C)(C)C=Nn1c(=O)[n-][nH]c1=O	ZINC000814231684	615169753	/nfs/dbraw/zinc/16/97/53/615169753.db2.gz	LHLOVFOFCONMTK-UHFFFAOYSA-N	-1	0	256.262	0.503	20	30		CCEDRM
CCO[N-]C(=O)CNC(=O)NCc1ccc(C#N)cc1F	ZINC000845542902	615364852	/nfs/dbraw/zinc/36/48/52/615364852.db2.gz	BMWIMPHAKXRECH-UHFFFAOYSA-N	-1	0	294.286	0.564	20	30		CCEDRM
CCO[N-]C(=O)CNC(=O)N[C@H](C)c1cccc(C#N)c1	ZINC000845543732	615366541	/nfs/dbraw/zinc/36/65/41/615366541.db2.gz	KEZIPXOUUXKJEO-SNVBAGLBSA-N	-1	0	290.323	0.986	20	30		CCEDRM
CCO[N-]C(=O)CNC(=O)c1ncc(C#N)cc1C	ZINC000846489743	615373229	/nfs/dbraw/zinc/37/32/29/615373229.db2.gz	CQLRCNJRLPLWRI-UHFFFAOYSA-N	-1	0	262.269	0.059	20	30		CCEDRM
CCNC(=O)C(C)(C)CNC(=O)[C@](C)(C#N)CC(=O)[O-]	ZINC000820353769	615453266	/nfs/dbraw/zinc/45/32/66/615453266.db2.gz	BOHOGLLFDZKYRW-ZDUSSCGKSA-N	-1	0	283.328	0.269	20	30		CCEDRM
CCNC(=O)CCCC(=O)N1CCN(C(=O)[O-])C[C@H]1C#N	ZINC000827237723	615461168	/nfs/dbraw/zinc/46/11/68/615461168.db2.gz	YDMWELRNSFLTCS-SNVBAGLBSA-N	-1	0	296.327	0.007	20	30		CCEDRM
CCOc1ccc(C=NOCC(=O)NCC(=O)[O-])cc1	ZINC000820387362	615509540	/nfs/dbraw/zinc/50/95/40/615509540.db2.gz	MGJXEUYHDXWGKP-UHFFFAOYSA-N	-1	0	280.280	0.637	20	30		CCEDRM
CC[C@@](C)(CC(=O)[O-])NS(=O)(=O)CCCC#N	ZINC000828672131	615588265	/nfs/dbraw/zinc/58/82/65/615588265.db2.gz	NLEVKZISUWZFPF-JTQLQIEISA-N	-1	0	262.331	0.853	20	30		CCEDRM
CC[C@H](C)CO[N-]C(=O)C(=O)Nc1cnn(CC#N)c1	ZINC000815712265	615663106	/nfs/dbraw/zinc/66/31/06/615663106.db2.gz	MBVBAUPJDCBPCI-VIFPVBQESA-N	-1	0	279.300	0.439	20	30		CCEDRM
CCc1nnc([C@H](C)NC(=O)[C@@](C)(C#N)CC(=O)[O-])[nH]1	ZINC000820492854	615756482	/nfs/dbraw/zinc/75/64/82/615756482.db2.gz	SCSKLNMPKDMUND-JVXZTZIISA-N	-1	0	279.300	0.549	20	30		CCEDRM
CCc1nnc(COC(=O)[C@@](C)(C#N)CC(=O)[O-])o1	ZINC000820504080	615814641	/nfs/dbraw/zinc/81/46/41/615814641.db2.gz	SOHOIBBNAIJGTK-LLVKDONJSA-N	-1	0	267.241	0.680	20	30		CCEDRM
CN(C)C[C@](C)(C#N)[N-]C(=O)C(F)(F)C(F)F	ZINC000844529142	615950475	/nfs/dbraw/zinc/95/04/75/615950475.db2.gz	OEAVWXJCTQYVLN-QMMMGPOBSA-N	-1	0	255.215	0.847	20	30		CCEDRM
CCn1cc(Cl)cc1C(=O)N[C@H]1CCN(O)C1=O	ZINC000820120192	616003931	/nfs/dbraw/zinc/00/39/31/616003931.db2.gz	LHZCOXNHBWMELC-QMMMGPOBSA-N	-1	0	271.704	0.881	20	30		CCEDRM
CN(CCCNC(=O)[O-])C(=O)c1cc(C#N)cn1C	ZINC000828301891	616075122	/nfs/dbraw/zinc/07/51/22/616075122.db2.gz	IHIMOJOSIXOVRC-UHFFFAOYSA-N	-1	0	264.285	0.626	20	30		CCEDRM
CN(Cc1cccn1C)C(=O)[C@](C)(C#N)CC(=O)[O-]	ZINC000820607707	616171639	/nfs/dbraw/zinc/17/16/39/616171639.db2.gz	RLYHVIYJLMSKJT-ZDUSSCGKSA-N	-1	0	263.297	0.988	20	30		CCEDRM
COC/C(C)=C/C(=O)[N-]S(=O)(=O)CC1(C#N)CCC1	ZINC000845520957	616367943	/nfs/dbraw/zinc/36/79/43/616367943.db2.gz	UQXXWZRDIBVHSD-UXBLZVDNSA-N	-1	0	286.353	0.719	20	30		CCEDRM
COC(=O)[C@@H]1CN(C(=O)[C@](C)(C#N)CC(=O)[O-])C[C@H]1C	ZINC000820660607	616381139	/nfs/dbraw/zinc/38/11/39/616381139.db2.gz	JITALJGTYYRVGA-KKFJDGPESA-N	-1	0	282.296	0.258	20	30		CCEDRM
COC1(CNC(=O)[C@](C)(C#N)CC(=O)[O-])CCOCC1	ZINC000820702695	616453309	/nfs/dbraw/zinc/45/33/09/616453309.db2.gz	ACCXQOFNIXBCFJ-LBPRGKRZSA-N	-1	0	284.312	0.303	20	30		CCEDRM
COCCNC(=O)C(C#N)=C([O-])c1ncc(C#N)cc1C	ZINC000815906781	616496526	/nfs/dbraw/zinc/49/65/26/616496526.db2.gz	JITBZPQQHKYTMR-LLVKDONJSA-N	-1	0	286.291	0.347	20	30		CCEDRM
COC[C@H](C)[C@@H](C)C(=O)[N-]S(=O)(=O)CC1(C#N)CC1	ZINC000813084434	616634876	/nfs/dbraw/zinc/63/48/76/616634876.db2.gz	QJUKSGZGZZKNOM-VHSXEESVSA-N	-1	0	288.369	0.655	20	30		CCEDRM
CO[C@@H]1CC[C@@H](C(=O)[N-]S(=O)(=O)CC2(C#N)CC2)C1	ZINC000850940308	616678215	/nfs/dbraw/zinc/67/82/15/616678215.db2.gz	LFACZHWEMWYAAQ-NXEZZACHSA-N	-1	0	286.353	0.551	20	30		CCEDRM
COCCc1cc(NC(=O)[C@](C)(C#N)CC(=O)[O-])n(C)n1	ZINC000820738404	616697803	/nfs/dbraw/zinc/69/78/03/616697803.db2.gz	AVJMHXOHXVVZSM-ZDUSSCGKSA-N	-1	0	294.311	0.552	20	30		CCEDRM
COCC(COC)NN=Cc1ccc(C(=O)[O-])nc1	ZINC000901269869	616736403	/nfs/dbraw/zinc/73/64/03/616736403.db2.gz	QRPDGAZHBHBKFK-UHFFFAOYSA-N	-1	0	267.285	0.365	20	30		CCEDRM
COCC(COC)S(=O)(=O)[N-]C(=O)CCCCC#N	ZINC000851504233	616742241	/nfs/dbraw/zinc/74/22/41/616742241.db2.gz	RZHJGCGXTHFXRU-UHFFFAOYSA-N	-1	0	292.357	0.178	20	30		CCEDRM
CNC(=O)C(C#N)=C([O-])c1cnc(N(C)C)c(Cl)c1	ZINC000847626386	616777782	/nfs/dbraw/zinc/77/77/82/616777782.db2.gz	LGZBDOSOHIOUMR-QMMMGPOBSA-N	-1	0	280.715	0.869	20	30		CCEDRM
COC[C@@H](C)CN=Nc1oc(C)nc1-c1nnn[n-]1	ZINC000821681892	616782210	/nfs/dbraw/zinc/78/22/10/616782210.db2.gz	UVEMBQRYVVGPKP-LURJTMIESA-N	-1	0	265.277	0.843	20	30		CCEDRM
COC[C@@H](C)NC(=S)NN=Cc1cc(C(=O)[O-])cn1C	ZINC000901138424	616827047	/nfs/dbraw/zinc/82/70/47/616827047.db2.gz	OAWVATPNHSCCBF-MRVPVSSYSA-N	-1	0	298.368	0.556	20	30		CCEDRM
CNC(=O)C(C#N)=C([O-])c1cc(COC)cs1	ZINC000850764883	616839285	/nfs/dbraw/zinc/83/92/85/616839285.db2.gz	VDQJLTHRWBHORJ-MRVPVSSYSA-N	-1	0	252.295	0.963	20	30		CCEDRM
CNC(=O)C(C#N)=C([O-])c1ccc(-n2cncn2)cc1	ZINC000917002408	616839383	/nfs/dbraw/zinc/83/93/83/616839383.db2.gz	JVBVSJGAMKVUQH-LLVKDONJSA-N	-1	0	269.264	0.336	20	30		CCEDRM
CNC(=O)C(C#N)=C([O-])c1ccc(C)c(C(=O)OC)c1	ZINC000870153894	616839416	/nfs/dbraw/zinc/83/94/16/616839416.db2.gz	VWZNEOCSFGHYSP-LLVKDONJSA-N	-1	0	274.276	0.850	20	30		CCEDRM
CNC(=O)C(C#N)=C([O-])c1ccc(Cn2cccn2)o1	ZINC000917005307	616839588	/nfs/dbraw/zinc/83/95/88/616839588.db2.gz	RMPOMZVEKIKNPW-SNVBAGLBSA-N	-1	0	272.264	0.593	20	30		CCEDRM
CNC(=O)C(C#N)=C([O-])c1cnc(N(C)C)c(Cl)c1	ZINC000847626385	616839760	/nfs/dbraw/zinc/83/97/60/616839760.db2.gz	LGZBDOSOHIOUMR-MRVPVSSYSA-N	-1	0	280.715	0.869	20	30		CCEDRM
COCCCO[N-]C(=O)CNc1ccc(C#N)cn1	ZINC000805040518	616922919	/nfs/dbraw/zinc/92/29/19/616922919.db2.gz	NLIQYRSTMVQFKV-UHFFFAOYSA-N	-1	0	264.285	0.449	20	30		CCEDRM
COCCCS(=O)(=O)N1CCC(C#CC(=O)[O-])CC1	ZINC000844819697	616927708	/nfs/dbraw/zinc/92/77/08/616927708.db2.gz	WHXQAZGATRKSCR-UHFFFAOYSA-N	-1	0	289.353	0.153	20	30		CCEDRM
COCCN(CCC#N)C(=O)C[C@H]1CN(C(=O)[O-])CCO1	ZINC000828979621	616992019	/nfs/dbraw/zinc/99/20/19/616992019.db2.gz	JYLGTJFQXPDIBS-NSHDSACASA-N	-1	0	299.327	0.144	20	30		CCEDRM
COC[C@@](C)(C#N)NC(=O)[C@H]1CCN(C(=O)[O-])C1	ZINC000828885686	617011201	/nfs/dbraw/zinc/01/12/01/617011201.db2.gz	LPJXGRFEFJBQMG-GZMMTYOYSA-N	-1	0	255.274	0.031	20	30		CCEDRM
COC[C@@](C)(C#N)NC(=O)c1ccc(C(=O)[O-])nc1	ZINC000831540651	617012167	/nfs/dbraw/zinc/01/21/67/617012167.db2.gz	AQOXRTSDCWCMOW-GFCCVEGCSA-N	-1	0	263.253	0.438	20	30		CCEDRM
COC[C@H](C#N)OC(=O)[C@@]1(F)CCN(C(=O)[O-])C1	ZINC000833882012	617047197	/nfs/dbraw/zinc/04/71/97/617047197.db2.gz	HXNTWECUYVGTRP-OIBJUYFYSA-N	-1	0	260.221	0.160	20	30		CCEDRM
CO[C@H](C)CS(=O)(=O)[N-]c1c(C#N)c(C)nn1C	ZINC000903173741	617077044	/nfs/dbraw/zinc/07/70/44/617077044.db2.gz	VFXSFGGDQJQLLS-SSDOTTSWSA-N	-1	0	272.330	0.377	20	30		CCEDRM
CO[N-]C(=O)C(=O)Nc1ccc(Cl)c(C#N)c1	ZINC000134755293	617106976	/nfs/dbraw/zinc/10/69/76/617106976.db2.gz	NJGSVMHXKCAXCC-UHFFFAOYSA-N	-1	0	253.645	0.828	20	30		CCEDRM
CO[N-]C(=O)C(=O)Nc1cc(C#N)ccc1Cl	ZINC000134761329	617106962	/nfs/dbraw/zinc/10/69/62/617106962.db2.gz	IDXOKCFJRVAIQA-UHFFFAOYSA-N	-1	0	253.645	0.828	20	30		CCEDRM
CO[N-]C(=O)CNC(=O)N(C)[C@H](C)c1cccc(C#N)c1	ZINC000927218023	617111150	/nfs/dbraw/zinc/11/11/50/617111150.db2.gz	LHOONKIRJHZMPW-SNVBAGLBSA-N	-1	0	290.323	0.938	20	30		CCEDRM
CO[C@@H](C(=O)[O-])C(=O)N[C@H](C)c1cccc(C#N)c1	ZINC000902728935	617128833	/nfs/dbraw/zinc/12/88/33/617128833.db2.gz	CNWCGIJEXBZPCE-LDYMZIIASA-N	-1	0	262.265	0.835	20	30		CCEDRM
COc1c(O)cccc1C=Nn1c(=O)[n-][nH]c1=O	ZINC000814232922	617148856	/nfs/dbraw/zinc/14/88/56/617148856.db2.gz	SCSPABGDZOSIGL-UHFFFAOYSA-N	-1	0	250.214	0.286	20	30		CCEDRM
CC#CCCCC(=O)[N-]S(=O)(=O)CCCC#N	ZINC000183760397	625401458	/nfs/dbraw/zinc/40/14/58/625401458.db2.gz	BQSKFVYRPYMKDK-UHFFFAOYSA-N	-1	0	256.327	0.930	20	30		CCEDRM
CCc1ncsc1C([O-])=C(C#N)C(=O)NCCOC	ZINC000178954389	622969455	/nfs/dbraw/zinc/96/94/55/622969455.db2.gz	MBFGTGOQXGUDOX-QMMMGPOBSA-N	-1	0	281.337	0.791	20	30		CCEDRM
C[C@@H](C#N)C[N-]S(=O)(=O)N=S1(=O)CCCC1	ZINC000866895147	625690378	/nfs/dbraw/zinc/69/03/78/625690378.db2.gz	OVKBNZNYJMAZPX-QMMMGPOBSA-N	-1	0	265.360	0.242	20	30		CCEDRM
N#Cc1cc(O)cc(C(=O)N2CC[C@H](O)[C@@H](F)C2)c1	ZINC000890693215	624563388	/nfs/dbraw/zinc/56/33/88/624563388.db2.gz	ZYNIGLYGFFHCDW-RYUDHWBXSA-N	-1	0	264.256	0.809	20	30		CCEDRM
N#CCCCC(=O)[N-]S(=O)(=O)C[C@H]1CCCO1	ZINC000813083368	624643542	/nfs/dbraw/zinc/64/35/42/624643542.db2.gz	NZVDZNVFDJUCNR-SECBINFHSA-N	-1	0	260.315	0.305	20	30		CCEDRM
O=C([N-]S(=O)(=O)c1ccc(F)cc1)[C@@H]1COCCO1	ZINC000048455330	624784610	/nfs/dbraw/zinc/78/46/10/624784610.db2.gz	KZUCXHQNVDVQIC-JTQLQIEISA-N	-1	0	289.284	0.886	20	30		CCEDRM
C#C[C@H](NC(=O)N1CCO[C@@H](C(=O)[O-])C1)C(C)C	ZINC000305932930	624824055	/nfs/dbraw/zinc/82/40/55/624824055.db2.gz	PILULSATQSWDOP-VHSXEESVSA-N	-1	0	254.286	0.139	20	30		CCEDRM
C#CCN(CC(=O)[O-])S(=O)(=O)c1ccc2c(c1)CCC2	ZINC000092479641	624851613	/nfs/dbraw/zinc/85/16/13/624851613.db2.gz	KIZSPDWYNSXSOP-UHFFFAOYSA-N	-1	0	293.344	0.884	20	30		CCEDRM
COCCNC(=O)C(C#N)=C([O-])c1cncc(C)c1	ZINC000178317349	624921528	/nfs/dbraw/zinc/92/15/28/624921528.db2.gz	MRJWTZVJLBLGOX-NSHDSACASA-N	-1	0	261.281	0.475	20	30		CCEDRM
N#C[C@]1(C(=O)[N-]OCc2cccnc2)CCCOC1	ZINC000866862492	625036572	/nfs/dbraw/zinc/03/65/72/625036572.db2.gz	ISYKICHYPDBLEI-CYBMUJFWSA-N	-1	0	261.281	0.950	20	30		CCEDRM
C[C@@H](Oc1ccc(C#N)cc1)C(=O)NCCOCC(=O)[O-]	ZINC000093227208	625818285	/nfs/dbraw/zinc/81/82/85/625818285.db2.gz	RGFHUORNKKOASU-SNVBAGLBSA-N	-1	0	292.291	0.543	20	30		CCEDRM
C=CCCCN(CC)C(=O)C(=O)N(C)CCC(=O)[O-]	ZINC000904949573	634770848	/nfs/dbraw/zinc/77/08/48/634770848.db2.gz	WGBXUUSVZFCUSL-UHFFFAOYSA-N	-1	0	270.329	0.734	20	30		CCEDRM
N#CCCCC(=O)[N-]S(=O)(=O)CC[C@H]1CCCO1	ZINC000893709486	631410233	/nfs/dbraw/zinc/41/02/33/631410233.db2.gz	OMJYHCYURMLKRJ-SNVBAGLBSA-N	-1	0	274.342	0.695	20	30		CCEDRM
CC#CCOC(=O)Cc1c(C)nc2cc[n-]n2c1=O	ZINC000175442882	632766450	/nfs/dbraw/zinc/76/64/50/632766450.db2.gz	MENHZIMWUHODQK-UHFFFAOYSA-N	-1	0	259.265	0.440	20	30		CCEDRM
C=C(Br)CNC(=O)N(CCOC)CC(=O)[O-]	ZINC000163555524	633598323	/nfs/dbraw/zinc/59/83/23/633598323.db2.gz	UJDIJXWZPRIIMY-UHFFFAOYSA-N	-1	0	295.133	0.638	20	30		CCEDRM
N#Cc1nc(N2CCOC[C@H]2C(=O)[O-])sc1Cl	ZINC000900945977	634126067	/nfs/dbraw/zinc/12/60/67/634126067.db2.gz	MVHVSKKIMWHZCC-LURJTMIESA-N	-1	0	273.701	0.958	20	30		CCEDRM
N#Cc1cnc(N2CCOC[C@H]2C(=O)[O-])c(F)c1	ZINC000900946692	634127481	/nfs/dbraw/zinc/12/74/81/634127481.db2.gz	SAPMGMABABYOAK-VIFPVBQESA-N	-1	0	251.217	0.382	20	30		CCEDRM
C[C@@H](NN=Cc1cc(C(=O)[O-])nn1C)C(F)(F)F	ZINC000901249971	634215278	/nfs/dbraw/zinc/21/52/78/634215278.db2.gz	MEKIPSPHUMHAOL-RXMQYKEDSA-N	-1	0	264.207	0.993	20	30		CCEDRM
Cn1nc(C(=O)[O-])cc1C=NN[C@@H]1CCOC(C)(C)C1	ZINC000901222872	634215302	/nfs/dbraw/zinc/21/53/02/634215302.db2.gz	UDICIBMMISKOFW-SECBINFHSA-N	-1	0	280.328	0.999	20	30		CCEDRM
N#CC1(C(=O)N2CCO[C@H](C(=O)[O-])C2)CC2(CC2)C1	ZINC000901448323	634249952	/nfs/dbraw/zinc/24/99/52/634249952.db2.gz	LMYNYKGFBAAJIS-VIFPVBQESA-N	-1	0	264.281	0.382	20	30		CCEDRM
C=CC[C@@H]1CCN(C(=O)c2cccn(CC(=O)[O-])c2=O)C1	ZINC000902142105	634319716	/nfs/dbraw/zinc/31/97/16/634319716.db2.gz	CKFTXBYILPWLEO-LLVKDONJSA-N	-1	0	290.319	0.971	20	30		CCEDRM
C[C@H](C(=O)N(C)C)S(=O)(=O)[N-]c1sccc1C#N	ZINC000906068918	634956208	/nfs/dbraw/zinc/95/62/08/634956208.db2.gz	PKOBWZOEBMADMC-SSDOTTSWSA-N	-1	0	287.366	0.838	20	30		CCEDRM
N#CC1CN(S(=O)(=O)c2cc(C(=O)[O-])ccc2F)C1	ZINC000906999662	635061026	/nfs/dbraw/zinc/06/10/26/635061026.db2.gz	XYANLLXSTDEOAS-UHFFFAOYSA-N	-1	0	284.268	0.668	20	30		CCEDRM
C#CCSCCNC(=O)N[C@H](COCC=C)C(=O)[O-]	ZINC000909051514	635504720	/nfs/dbraw/zinc/50/47/20/635504720.db2.gz	AWATZTHLLMJKNE-SNVBAGLBSA-N	-1	0	286.353	0.308	20	30		CCEDRM
C#CCN(C)S(=O)(=O)c1ccc(CCC(=O)[O-])cc1	ZINC000164448260	636872787	/nfs/dbraw/zinc/87/27/87/636872787.db2.gz	BLSOAOTZFVBWML-UHFFFAOYSA-N	-1	0	281.333	0.958	20	30		CCEDRM
CC#CCNC(=O)c1ccc2c(c1)[n-]c(=S)n(C)c2=O	ZINC000154500825	637984477	/nfs/dbraw/zinc/98/44/77/637984477.db2.gz	SQYSBOHNILYLFK-UHFFFAOYSA-N	-1	0	287.344	0.975	20	30		CCEDRM
O=C1[N-]C(=O)C(=NNc2cc(F)ccc2F)C(=O)N1	ZINC000921204725	638160366	/nfs/dbraw/zinc/16/03/66/638160366.db2.gz	OQXLAUIQOFMMHV-UHFFFAOYSA-N	-1	0	268.179	0.099	20	30		CCEDRM
C#CCCNS(=O)(=O)c1c(C)oc(C)c1C(=O)[O-]	ZINC000070543660	638492809	/nfs/dbraw/zinc/49/28/09/638492809.db2.gz	GIZXKMPJWVXAAU-UHFFFAOYSA-N	-1	0	271.294	0.896	20	30		CCEDRM
N#C[C@@]1(C(=O)N[C@@H](CC2CC2)C(=O)[O-])CCCOC1	ZINC000923101492	640022103	/nfs/dbraw/zinc/02/21/03/640022103.db2.gz	GABWLURMXFSUIO-GWCFXTLKSA-N	-1	0	266.297	0.676	20	30		CCEDRM
N#C[C@@]1(C(=O)N[C@H](CC(=O)[O-])C(F)(F)F)CCCOC1	ZINC000923112673	640023905	/nfs/dbraw/zinc/02/39/05/640023905.db2.gz	MVYNTZBEXPUKCR-XCBNKYQSSA-N	-1	0	294.229	0.829	20	30		CCEDRM
N#Cc1ccc(OCC(=O)N[C@H]2CC[C@H]2C(=O)[O-])cc1	ZINC000923126786	640027418	/nfs/dbraw/zinc/02/74/18/640027418.db2.gz	BBZCPOMNXUKGQZ-NEPJUHHUSA-N	-1	0	274.276	0.916	20	30		CCEDRM
Cc1cc(CC(=O)Nc2nc(C#N)c(C#N)[n-]2)[nH]n1	ZINC000755688568	640333080	/nfs/dbraw/zinc/33/30/80/640333080.db2.gz	GYDRADVGBZNQCT-UHFFFAOYSA-N	-1	0	255.241	0.366	20	30		CCEDRM
CC#CCS(=O)(=O)[N-]C(=O)c1ncccc1OCCC	ZINC000810777375	640447111	/nfs/dbraw/zinc/44/71/11/640447111.db2.gz	GFKIENGVGFXSEB-UHFFFAOYSA-N	-1	0	296.348	0.953	20	30		CCEDRM
N#Cc1ccc(S(=O)(=O)NC/C=C/C(=O)[O-])o1	ZINC000806639223	640794969	/nfs/dbraw/zinc/79/49/69/640794969.db2.gz	PIIISFVDXBXHCR-OWOJBTEDSA-N	-1	0	256.239	0.070	20	30		CCEDRM
CC#CCS(=O)(=O)[N-]C(=O)c1cccc2[nH]c(=O)oc21	ZINC000810775344	640949463	/nfs/dbraw/zinc/94/94/63/640949463.db2.gz	BPBWFHIOPSTJRX-UHFFFAOYSA-N	-1	0	294.288	0.616	20	30		CCEDRM
N#Cc1cncc(S(=O)(=O)[N-]C(=O)[C@H]2C[C@@H]2C2CC2)c1	ZINC000813985252	641052232	/nfs/dbraw/zinc/05/22/32/641052232.db2.gz	SPJZYBSALOFOEU-NEPJUHHUSA-N	-1	0	291.332	0.804	20	30		CCEDRM
O=C1[N-]C(=O)C(=NNc2cccc(F)c2F)C(=O)N1	ZINC000814222781	641059847	/nfs/dbraw/zinc/05/98/47/641059847.db2.gz	UULDMGXRKUBUMI-UHFFFAOYSA-N	-1	0	268.179	0.099	20	30		CCEDRM
Cn1cc(C=Nn2c(=O)[n-][nH]c2=O)c(-c2cccnc2)n1	ZINC000814231786	641062140	/nfs/dbraw/zinc/06/21/40/641062140.db2.gz	NSZWFGQUCBVMHU-UHFFFAOYSA-N	-1	0	285.267	0.367	20	30		CCEDRM
O=c1[n-][nH]c(=O)n1N=Cc1cc2ccccc2[nH]c1=O	ZINC000814233005	641062357	/nfs/dbraw/zinc/06/23/57/641062357.db2.gz	WXRAVRGVOQRTPV-UHFFFAOYSA-N	-1	0	271.236	0.825	20	30		CCEDRM
O=C(N[C@H]1CCCN(O)C1=O)c1ccc([N+](=O)[O-])c([O-])c1	ZINC000816754169	641209921	/nfs/dbraw/zinc/20/99/21/641209921.db2.gz	YGNAQVSDCIAXDF-QMMMGPOBSA-N	-1	0	295.251	0.410	20	30		CCEDRM
O=C(C[C@@H]1OCc2ccccc21)N[C@@H]1CCN(O)C1=O	ZINC000820131674	641463973	/nfs/dbraw/zinc/46/39/73/641463973.db2.gz	KKGQFXWACYQYNB-NEPJUHHUSA-N	-1	0	276.292	0.754	20	30		CCEDRM
O=C(C[C@H]1OCc2ccccc21)N[C@H]1CCN(O)C1=O	ZINC000820131675	641464591	/nfs/dbraw/zinc/46/45/91/641464591.db2.gz	KKGQFXWACYQYNB-NWDGAFQWSA-N	-1	0	276.292	0.754	20	30		CCEDRM
O=C(N[C@@H]1CCN(O)C1=O)c1cccc(Cl)c1[O-]	ZINC000820150322	641475286	/nfs/dbraw/zinc/47/52/86/641475286.db2.gz	YHQIVAOVPPXPNQ-MRVPVSSYSA-N	-1	0	270.672	0.766	20	30		CCEDRM
N#Cc1ccccc1C=CC(=O)Nn1c(=O)[n-][nH]c1=O	ZINC000820291333	641494256	/nfs/dbraw/zinc/49/42/56/641494256.db2.gz	FMLCIWMCZVMVSE-AATRIKPKSA-N	-1	0	271.236	0.344	20	30		CCEDRM
N#Cc1ccc(S(=O)(=O)[N-]c2cnsn2)cn1	ZINC000820798857	641534649	/nfs/dbraw/zinc/53/46/49/641534649.db2.gz	NJJZKBUTYZIJJY-UHFFFAOYSA-N	-1	0	267.295	0.606	20	30		CCEDRM
N#CCCS(=O)(=O)[N-]C(=O)COc1ccc(C#N)cc1	ZINC000821584091	641611024	/nfs/dbraw/zinc/61/10/24/641611024.db2.gz	QZKHHYLWKJBMBI-UHFFFAOYSA-N	-1	0	293.304	0.297	20	30		CCEDRM
N#CCCS(=O)(=O)[N-]C(=O)c1cccc(NC(N)=O)c1	ZINC000821584117	641611656	/nfs/dbraw/zinc/61/16/56/641611656.db2.gz	RTFHSSXQZRRCOV-UHFFFAOYSA-N	-1	0	296.308	0.150	20	30		CCEDRM
N#Cc1ccc([O-])c(NC(=O)[C@@H]2CCCN2C=O)c1	ZINC000831271567	642341324	/nfs/dbraw/zinc/34/13/24/642341324.db2.gz	JJLLZZCFUFHXTD-NSHDSACASA-N	-1	0	259.265	0.823	20	30		CCEDRM
Cn1cc(S(=O)(=O)N(CC#N)C2CC2)cc1C(=O)[O-]	ZINC000833052682	642532832	/nfs/dbraw/zinc/53/28/32/642532832.db2.gz	HCWWSMPAHDEMRE-UHFFFAOYSA-N	-1	0	283.309	0.400	20	30		CCEDRM
C[C@@H](O)CN(C)N=Cc1[nH]nc2cc(C(=O)[O-])ccc21	ZINC000841649417	642827237	/nfs/dbraw/zinc/82/72/37/642827237.db2.gz	HMTQLPBCWDOOOE-MRVPVSSYSA-N	-1	0	276.296	0.908	20	30		CCEDRM
C[C@H](O)CN(C)N=Cc1cc([O-])ccc1[N+](=O)[O-]	ZINC000841650699	642827915	/nfs/dbraw/zinc/82/79/15/642827915.db2.gz	LFDPTSHEJMNEQC-QMMMGPOBSA-N	-1	0	253.258	0.947	20	30		CCEDRM
N#Cc1c[n-]c(=O)n(CCCCCCCO)c1=O	ZINC000842617565	642916650	/nfs/dbraw/zinc/91/66/50/642916650.db2.gz	VDBLZQGCBNPEBJ-UHFFFAOYSA-N	-1	0	251.286	0.351	20	30		CCEDRM
N#CC(C(=O)N1CCCC1)=C([O-])c1cn(C2CCC2)nn1	ZINC000842681009	642933212	/nfs/dbraw/zinc/93/32/12/642933212.db2.gz	DWZNISZDWPLFJV-NSHDSACASA-N	-1	0	287.323	0.948	20	30		CCEDRM
N#Cc1cncc(S(=O)(=O)[N-]C(=O)C2(F)CC2)c1	ZINC000842805119	642955214	/nfs/dbraw/zinc/95/52/14/642955214.db2.gz	AKIGKURKARRJJG-UHFFFAOYSA-N	-1	0	269.257	0.260	20	30		CCEDRM
C[C@H](CC(=O)[N-]S(=O)(=O)CCC#N)[C@H]1CCCO1	ZINC000851016386	643826341	/nfs/dbraw/zinc/82/63/41/643826341.db2.gz	SVIJHKOBEKIRLE-NXEZZACHSA-N	-1	0	274.342	0.551	20	30		CCEDRM
Cn1cc(C#N)cc1C(=O)[N-]S(=O)(=O)CC(F)F	ZINC000851362017	643843061	/nfs/dbraw/zinc/84/30/61/643843061.db2.gz	TWAJBUIVYPPWLD-UHFFFAOYSA-N	-1	0	277.252	0.221	20	30		CCEDRM
Cn1ncc(C2CCC2)c1C=Nn1c(=O)[n-][nH]c1=O	ZINC000853348901	644100558	/nfs/dbraw/zinc/10/05/58/644100558.db2.gz	MSHIHMCFAZXKOW-UHFFFAOYSA-N	-1	0	262.273	0.573	20	30		CCEDRM
N#CC(C(=O)N1CCCC1)=C([O-])c1ccnc2ccnn21	ZINC000860461097	644803336	/nfs/dbraw/zinc/80/33/36/644803336.db2.gz	FHIRCJKUFDKIQY-SNVBAGLBSA-N	-1	0	283.291	0.674	20	30		CCEDRM
C[C@@H](CC#N)OC(=O)c1ccc([N-]S(C)(=O)=O)nc1	ZINC000860545828	644808645	/nfs/dbraw/zinc/80/86/45/644808645.db2.gz	ULMHGTIHARUDEA-QMMMGPOBSA-N	-1	0	283.309	0.912	20	30		CCEDRM
Cc1cccc(C#N)c1S(=O)(=O)[N-]N1CCCC1=O	ZINC000872510256	646273592	/nfs/dbraw/zinc/27/35/92/646273592.db2.gz	NFLPGWSECYJWBP-UHFFFAOYSA-N	-1	0	279.321	0.682	20	30		CCEDRM
C[C@@H](CCNS(=O)(=O)c1ccccc1C#N)C(=O)[O-]	ZINC000129227468	647338029	/nfs/dbraw/zinc/33/80/29/647338029.db2.gz	RCUCVHIPJKYSEO-VIFPVBQESA-N	-1	0	282.321	0.947	20	30		CCEDRM
Cc1ncc(CO)c(C=NCCN2CCNC2=O)c1O	ZINC000887272433	648086574	/nfs/dbraw/zinc/08/65/74/648086574.db2.gz	NFEBMICKVVJHHU-VGOFMYFVSA-N	-1	0	278.312	0.032	20	30		CCEDRM
CC(C)OCCCNC(=O)C(C#N)=C([O-])c1ccnn1C	ZINC000159726393	649324366	/nfs/dbraw/zinc/32/43/66/649324366.db2.gz	ULXHCYDHBTVNBQ-LLVKDONJSA-N	-1	0	292.339	0.674	20	30		CCEDRM
CCOC1CC(CC(=O)[N-]S(=O)(=O)CCCC#N)C1	ZINC000191252222	649470205	/nfs/dbraw/zinc/47/02/05/649470205.db2.gz	JMIGNJLNBYKNQK-UHFFFAOYSA-N	-1	0	288.369	0.941	20	30		CCEDRM
C=CCN(CC(=O)[O-])C(=O)CC(=O)NCC(F)(F)F	ZINC000191261611	649471208	/nfs/dbraw/zinc/47/12/08/649471208.db2.gz	WVTPLSUDKWEYKR-UHFFFAOYSA-N	-1	0	282.218	0.154	20	30		CCEDRM
COCCNC(=O)C(C#N)=C([O-])c1cc(C(C)C)[nH]n1	ZINC000193424147	649537579	/nfs/dbraw/zinc/53/75/79/649537579.db2.gz	USBOTUOPPXJKMW-VIFPVBQESA-N	-1	0	278.312	0.618	20	30		CCEDRM
CC1(C)C(=O)NCCN1Cc1cc(C#N)ccc1[O-]	ZINC001232679167	805970055	/nfs/dbraw/zinc/97/00/55/805970055.db2.gz	FNOFZZIZEADEGM-UHFFFAOYSA-N	-1	0	259.309	0.974	20	30		CCEDRM
CC(=O)N(C)C1CN(Cc2ccc(C#N)cc2O)C1	ZINC001233386039	806053818	/nfs/dbraw/zinc/05/38/18/806053818.db2.gz	CYQVRAADJDRWCC-UHFFFAOYSA-N	-1	0	259.309	0.926	20	30		CCEDRM
CCOC(=O)c1cc(C#N)c(C)nc1N[C@@H]1CO[N-]C1=O	ZINC001167506774	791484791	/nfs/dbraw/zinc/48/47/91/791484791.db2.gz	UUZBPBXXDRNFCG-SNVBAGLBSA-N	-1	0	290.279	0.280	20	30		CCEDRM
N#Cc1ccc(N[C@@H]2CO[N-]C2=O)nc1C(F)(F)F	ZINC001167511207	791496915	/nfs/dbraw/zinc/49/69/15/791496915.db2.gz	WHMQLSJQSFXWGB-ZCFIWIBFSA-N	-1	0	272.186	0.814	20	30		CCEDRM
N#CCC1(CNS(=O)(=O)c2c[nH]c(C(=O)[O-])c2)CC1	ZINC000404070204	791621953	/nfs/dbraw/zinc/62/19/53/791621953.db2.gz	HNGZMHLZEKASIF-UHFFFAOYSA-N	-1	0	283.309	0.685	20	30		CCEDRM
C#CC[C@@H](C)Oc1c(C(=O)OC)n[n-]c1C(=O)OC	ZINC001234188065	806199048	/nfs/dbraw/zinc/19/90/48/806199048.db2.gz	CLGWPMFNFQHONU-SSDOTTSWSA-N	-1	0	266.253	0.774	20	30		CCEDRM
N#Cc1ccc2nc(=O)[n-]c(O[C@H]3CCOC3=O)c2c1	ZINC001234515937	806266079	/nfs/dbraw/zinc/26/60/79/806266079.db2.gz	NSPUXCKVTIFUSN-JTQLQIEISA-N	-1	0	271.232	0.901	20	30		CCEDRM
COCc1nn(C)cc1C([O-])=C(C#N)C(=O)NC(C)C	ZINC001122453393	799238868	/nfs/dbraw/zinc/23/88/68/799238868.db2.gz	YPOKJNFHOZLUHK-SECBINFHSA-N	-1	0	278.312	0.414	20	30		CCEDRM
C=CCCOCC(=O)NC[C@H](C(=O)[O-])[C@H]1CCOC1	ZINC001123400369	799406470	/nfs/dbraw/zinc/40/64/70/799406470.db2.gz	VVULHSHSOQITLJ-QWRGUYRKSA-N	-1	0	271.313	0.433	20	30		CCEDRM
CC[C@H](C#N)C(=O)N1CCC[C@H](Cc2nnn[n-]2)C1	ZINC001123910724	799502518	/nfs/dbraw/zinc/50/25/18/799502518.db2.gz	VCBRNBPGHAAUKI-NXEZZACHSA-N	-1	0	262.317	0.531	20	30		CCEDRM
C#CCOCCN(C)C(=O)Cc1cc(=O)n(CC(C)C)[n-]1	ZINC001124132191	799563679	/nfs/dbraw/zinc/56/36/79/799563679.db2.gz	CNDKTKPNUQVXRJ-UHFFFAOYSA-N	-1	0	293.367	0.483	20	30		CCEDRM
N#C[C@@H]1CN(Cc2ccc(OCC(=O)[O-])cc2)CCO1	ZINC001138926876	799769199	/nfs/dbraw/zinc/76/91/99/799769199.db2.gz	SNNQSQFXNVALRE-CYBMUJFWSA-N	-1	0	276.292	0.874	20	30		CCEDRM
C=CCO[N-]C(=O)[C@H](C)NC(=O)c1[nH]nc2ccccc21	ZINC001140880017	799956606	/nfs/dbraw/zinc/95/66/06/799956606.db2.gz	VURCXVQIJKPDBJ-VIFPVBQESA-N	-1	0	288.307	0.915	20	30		CCEDRM
O=C(N[C@@H]1CCN(O)C1=O)c1c2nc[nH]c2ccc1F	ZINC001141380426	800003368	/nfs/dbraw/zinc/00/33/68/800003368.db2.gz	PHWJRHRILDAUOE-MRVPVSSYSA-N	-1	0	278.243	0.422	20	30		CCEDRM
COC(=O)[C@H](CCC(=O)[O-])NC(=O)C#Cc1ccccc1	ZINC001142862369	800167427	/nfs/dbraw/zinc/16/74/27/800167427.db2.gz	GVDPVYROLLLKEL-LBPRGKRZSA-N	-1	0	289.287	0.561	20	30		CCEDRM
CSc1[n-]c(=O)c(C(=O)N(CC#N)CC#N)cc1C#N	ZINC001143316090	800230603	/nfs/dbraw/zinc/23/06/03/800230603.db2.gz	UNNFLHCMPVVNQV-UHFFFAOYSA-N	-1	0	287.304	0.870	20	30		CCEDRM
C[C@H](C#N)N(C)C(=O)c1c[n-]c2cccnc2c1=O	ZINC001153856263	800679105	/nfs/dbraw/zinc/67/91/05/800679105.db2.gz	SRBYRNXYWQDJEN-MRVPVSSYSA-N	-1	0	256.265	0.907	20	30		CCEDRM
N#Cc1cc(Cl)nnc1N[C@H]1SC(=O)[N-]C1=O	ZINC001155837064	801062332	/nfs/dbraw/zinc/06/23/32/801062332.db2.gz	ISYOJTFFTAKZIK-ZETCQYMHSA-N	-1	0	269.673	0.723	20	30		CCEDRM
COc1ccnc(N[C@@H]2SC(=O)[N-]C2=O)c1C#N	ZINC001155836880	801062352	/nfs/dbraw/zinc/06/23/52/801062352.db2.gz	IBFCAJYYJJVWRN-SECBINFHSA-N	-1	0	264.266	0.683	20	30		CCEDRM
N#Cc1c[nH]c2ncnc(N[C@@H]3SC(=O)[N-]C3=O)c12	ZINC001155837481	801062512	/nfs/dbraw/zinc/06/25/12/801062512.db2.gz	NMWVGCAXOYCPAC-SECBINFHSA-N	-1	0	274.265	0.551	20	30		CCEDRM
N#Cc1ccc(Cl)nc1C(F)(F)N[C@@H]1CO[N-]C1=O	ZINC001156695188	801214641	/nfs/dbraw/zinc/21/46/41/801214641.db2.gz	OXGBYWVVYHGFCT-ZCFIWIBFSA-N	-1	0	288.641	0.676	20	30		CCEDRM
N#CC1(c2ccc(N[C@@H]3CO[N-]C3=O)nc2)CCOCC1	ZINC001156695048	801214671	/nfs/dbraw/zinc/21/46/71/801214671.db2.gz	MHCLXYAVOPDPFI-LLVKDONJSA-N	-1	0	288.307	0.495	20	30		CCEDRM
CCC(CC)(NC(=O)[C@H](C)CC#N)c1nnn[n-]1	ZINC001156920482	801263713	/nfs/dbraw/zinc/26/37/13/801263713.db2.gz	SKLVZHWDUUBOQY-MRVPVSSYSA-N	-1	0	250.306	0.881	20	30		CCEDRM
C#C[C@@H](NC(=O)Cn1c(=O)[n-][nH]c1=O)c1ccc(F)cc1	ZINC001159132021	801763042	/nfs/dbraw/zinc/76/30/42/801763042.db2.gz	BWRSERNNVOCGAY-SNVBAGLBSA-N	-1	0	290.254	0.319	20	30		CCEDRM
N#Cc1cnc(NCC(=O)CCC(=O)[O-])c(C#N)c1	ZINC001160874101	802038018	/nfs/dbraw/zinc/03/80/18/802038018.db2.gz	NMPVQGWTSIATLN-UHFFFAOYSA-N	-1	0	258.237	0.671	20	30		CCEDRM
C=CCS(=O)(=O)[N-]c1nnc2cc(OC)ccc2n1	ZINC001259922163	808804465	/nfs/dbraw/zinc/80/44/65/808804465.db2.gz	OOYKHUKWHKQAQR-UHFFFAOYSA-N	-1	0	280.309	0.961	20	30		CCEDRM
COCCS(=O)(=O)[N-]c1c(C#N)cnn1C(C)(C)C	ZINC001259965557	808828453	/nfs/dbraw/zinc/82/84/53/808828453.db2.gz	YMBOFPLWUZCGLQ-UHFFFAOYSA-N	-1	0	286.357	0.898	20	30		CCEDRM
N#Cc1c(F)cncc1N[C@@H]1SC(=O)[N-]C1=O	ZINC001163672601	802588368	/nfs/dbraw/zinc/58/83/68/802588368.db2.gz	OGEOKJFFMHXHMQ-MRVPVSSYSA-N	-1	0	252.230	0.813	20	30		CCEDRM
Cc1cnn(C)c1C(=O)Nc1nc(C#N)c(C#N)[n-]1	ZINC001163738607	802602588	/nfs/dbraw/zinc/60/25/88/802602588.db2.gz	WFXMMNGOQBHAGB-UHFFFAOYSA-N	-1	0	255.241	0.447	20	30		CCEDRM
C=C[C@H](C)O[N-]C(=O)[C@@H](NC(=O)C1CCCC1)[C@@H](C)O	ZINC001164413660	802738499	/nfs/dbraw/zinc/73/84/99/802738499.db2.gz	GTTLPKBIXLYHQZ-UMNHJUIQSA-N	-1	0	284.356	0.665	20	30		CCEDRM
COc1cccc(NC(=N[O-])c2nonc2N)c1C#N	ZINC001210122349	803639050	/nfs/dbraw/zinc/63/90/50/803639050.db2.gz	SZTDHTQSYUOSES-UHFFFAOYSA-N	-1	0	274.240	0.780	20	30		CCEDRM
N#Cc1cnccc1[N-]S(=O)(=O)c1cccc(N)c1	ZINC001214015531	803711268	/nfs/dbraw/zinc/71/12/68/803711268.db2.gz	VVSTVTCUOODUMM-UHFFFAOYSA-N	-1	0	274.305	0.758	20	30		CCEDRM
C=CCN(CC=C)S(=O)(=O)[C@H]1CC[C@H]1C(=O)[O-]	ZINC001465105558	804069681	/nfs/dbraw/zinc/06/96/81/804069681.db2.gz	DNVWLCIYMZIRHJ-ZJUUUORDSA-N	-1	0	259.327	0.853	20	30		CCEDRM
C=CCOC[C@H](CS(=O)(=O)[O-])OCc1nc(C)no1	ZINC001222403731	804898987	/nfs/dbraw/zinc/89/89/87/804898987.db2.gz	XMEJAWPTJAWJDD-SECBINFHSA-N	-1	0	292.313	0.354	20	30		CCEDRM
N#Cc1ccccc1OCCOC(=O)[C@@H](O)CC(=O)[O-]	ZINC001222419054	804899996	/nfs/dbraw/zinc/89/99/96/804899996.db2.gz	XXOHIKZHUDTRTQ-JTQLQIEISA-N	-1	0	279.248	0.316	20	30		CCEDRM
N#Cc1ncccc1COC(=O)[C@H](O)CCC(=O)[O-]	ZINC001223057693	804951757	/nfs/dbraw/zinc/95/17/57/804951757.db2.gz	CCZGZQPGBMJGDZ-SNVBAGLBSA-N	-1	0	264.237	0.222	20	30		CCEDRM
C=CCOC[C@@H](CS(=O)(=O)[O-])OCc1cn(C)cn1	ZINC001223553351	804979846	/nfs/dbraw/zinc/97/98/46/804979846.db2.gz	ULDKGECECFMMAJ-NSHDSACASA-N	-1	0	290.341	0.396	20	30		CCEDRM
O=C([O-])C[C@@H](O)C(=O)O/C(=N\O)c1cc(F)ccc1F	ZINC001223889199	804995741	/nfs/dbraw/zinc/99/57/41/804995741.db2.gz	ZYSVDMJIXDFWGR-PQKXBCETSA-N	-1	0	289.190	0.479	20	30		CCEDRM
CC[C@H]1OC(C)=C(OCC[P@@](=O)([O-])O)C1=O	ZINC001224601621	805057786	/nfs/dbraw/zinc/05/77/86/805057786.db2.gz	IRDOTZDEFHEBCU-SSDOTTSWSA-N	-1	0	250.187	0.790	20	30		CCEDRM
CC[C@@H](C#CC(=O)OC)Oc1[n-]c(=O)ncc1[N+](=O)[O-]	ZINC001226336055	805221547	/nfs/dbraw/zinc/22/15/47/805221547.db2.gz	MHLJBTLFJYAOBQ-ZETCQYMHSA-N	-1	0	281.224	0.424	20	30		CCEDRM
Cc1cc(C#N)cc(C)c1OC(=O)[C@@H](O)CC(=O)[O-]	ZINC001226522195	805242407	/nfs/dbraw/zinc/24/24/07/805242407.db2.gz	SAUNEUDSCVSFMY-JTQLQIEISA-N	-1	0	263.249	0.916	20	30		CCEDRM
C=CCOC[C@@H](CS(=O)(=O)[O-])Oc1cc(C)cnn1	ZINC001226718784	805272224	/nfs/dbraw/zinc/27/22/24/805272224.db2.gz	RTUNBQQYHOREOC-JTQLQIEISA-N	-1	0	288.325	0.623	20	30		CCEDRM
COc1nc(OC2CN(CCC#N)C2)cc(=O)[n-]1	ZINC001227000265	805307803	/nfs/dbraw/zinc/30/78/03/805307803.db2.gz	HFVYOJMMJLODTB-UHFFFAOYSA-N	-1	0	250.258	0.167	20	30		CCEDRM
C[C@H]1OCc2c1[n-]c(=O)nc2O[C@@H]1CCN(CC#N)C1	ZINC001227713330	805382798	/nfs/dbraw/zinc/38/27/98/805382798.db2.gz	NLWMCBRQHKOJJU-RKDXNWHRSA-N	-1	0	276.296	0.750	20	30		CCEDRM
N#Cc1cc([N+](=O)[O-])c(OC(=O)[C@@H](O)CC(=O)[O-])cc1F	ZINC001227875731	805399626	/nfs/dbraw/zinc/39/96/26/805399626.db2.gz	XFIGZLMXDXHSOI-QMMMGPOBSA-N	-1	0	298.182	0.347	20	30		CCEDRM
COc1ccc(OC(=O)[C@H](O)CCC(=O)[O-])c(C#N)c1	ZINC001228117141	805414109	/nfs/dbraw/zinc/41/41/09/805414109.db2.gz	DQONVHBUEANEGV-SNVBAGLBSA-N	-1	0	279.248	0.698	20	30		CCEDRM
CC[C@@H]1OC(C)=C(Oc2nc(=O)cc(O)[n-]2)C1=O	ZINC001228389486	805441713	/nfs/dbraw/zinc/44/17/13/805441713.db2.gz	ZIKWXHUXJTUOCF-LURJTMIESA-N	-1	0	252.226	0.876	20	30		CCEDRM
C#C[C@H](Oc1nc(OC)cc(=O)[n-]1)C(=O)OCC	ZINC001228919114	805489002	/nfs/dbraw/zinc/48/90/02/805489002.db2.gz	VOWFYHVUUSELCW-ZETCQYMHSA-N	-1	0	252.226	0.135	20	30		CCEDRM
COC(=O)c1cc(C#N)cnc1-c1cnn(CC(=O)[O-])c1	ZINC001242183174	806995314	/nfs/dbraw/zinc/99/53/14/806995314.db2.gz	HNUSUBLOGWDPFN-UHFFFAOYSA-N	-1	0	286.247	0.688	20	30		CCEDRM
COC(=O)c1ccc([N-]S(=O)(=O)N(C)C)c(C#N)c1	ZINC001251097758	807664171	/nfs/dbraw/zinc/66/41/71/807664171.db2.gz	FRNOSWNOQJAKDV-UHFFFAOYSA-N	-1	0	283.309	0.563	20	30		CCEDRM
C#CCOC[C@H](O)CNc1cccc(S(=O)(=O)[O-])c1	ZINC001251860788	807726840	/nfs/dbraw/zinc/72/68/40/807726840.db2.gz	UIKYCIDRMLAZKU-LLVKDONJSA-N	-1	0	285.321	0.356	20	30		CCEDRM
C#CCOCc1cn(-c2ccc(C(=O)[O-])c(O)c2)nn1	ZINC001254096129	808181215	/nfs/dbraw/zinc/18/12/15/808181215.db2.gz	DVEZJUQBAZYEHX-UHFFFAOYSA-N	-1	0	273.248	0.821	20	30		CCEDRM
CSc1[n-]c(=O)c(C(=O)NCCO)cc1C#N	ZINC001254264313	808198428	/nfs/dbraw/zinc/19/84/28/808198428.db2.gz	FLEFVHGKPNXOMX-UHFFFAOYSA-N	-1	0	253.283	0.103	20	30		CCEDRM
C=CC[C@H](NC(=O)COc1c(C)nn(C)c1C)C(=O)[O-]	ZINC001256550969	808533310	/nfs/dbraw/zinc/53/33/10/808533310.db2.gz	MCRUMJUDAQDVQS-JTQLQIEISA-N	-1	0	281.312	0.561	20	30		CCEDRM
CC(=NNc1nnc(C)c(=O)[n-]1)c1cn(C)c(C)n1	ZINC001256627019	808542202	/nfs/dbraw/zinc/54/22/02/808542202.db2.gz	OWOCHOLHSPHVNJ-UHFFFAOYSA-N	-1	0	261.289	0.764	20	30		CCEDRM
N#Cc1ccccc1S(=O)(=O)N[C@@H]1SC(=O)[N-]C1=O	ZINC001258295017	808669145	/nfs/dbraw/zinc/66/91/45/808669145.db2.gz	ZJYQXEZCSVFEJG-SECBINFHSA-N	-1	0	297.317	0.146	20	30		CCEDRM
N#Cc1ccccc1S(=O)(=O)NCC(=O)CCC(=O)[O-]	ZINC001258319838	808671315	/nfs/dbraw/zinc/67/13/15/808671315.db2.gz	KRTWIMARCCKLDG-UHFFFAOYSA-N	-1	0	296.304	0.270	20	30		CCEDRM
Cn1cncc1CC(=O)Nc1nc(C#N)c(C#N)[n-]1	ZINC001258488963	808689115	/nfs/dbraw/zinc/68/91/15/808689115.db2.gz	JPOUYWBMGZUUQN-UHFFFAOYSA-N	-1	0	255.241	0.068	20	30		CCEDRM
Cc1noc(C)c1S(=O)(=O)[N-]c1cnc(C#N)cn1	ZINC001258500788	808689893	/nfs/dbraw/zinc/68/98/93/808689893.db2.gz	MLUYTDBAKKIQJZ-UHFFFAOYSA-N	-1	0	279.281	0.754	20	30		CCEDRM
COC(=O)CS(=O)(=O)[N-]c1cc(F)c(C#N)cc1F	ZINC001259024356	808722173	/nfs/dbraw/zinc/72/21/73/808722173.db2.gz	LZLLBWNGBCQFKY-UHFFFAOYSA-N	-1	0	290.247	0.751	20	30		CCEDRM
N#Cc1cccc(S(=O)(=O)[N-]c2oncc2C(N)=O)c1	ZINC001259118883	808732417	/nfs/dbraw/zinc/73/24/17/808732417.db2.gz	VIGAYNVOJJITAG-UHFFFAOYSA-N	-1	0	292.276	0.446	20	30		CCEDRM
N#Cc1cccnc1[N-]S(=O)(=O)C1CCOCC1	ZINC001259907548	808796245	/nfs/dbraw/zinc/79/62/45/808796245.db2.gz	XYIIHQRRCUDCOA-UHFFFAOYSA-N	-1	0	267.310	0.874	20	30		CCEDRM
C=CCS(=O)(=O)[N-]c1cc(Cl)cnc1C(N)=O	ZINC001259922946	808805781	/nfs/dbraw/zinc/80/57/81/808805781.db2.gz	ZGUJGAIHFRQFLK-UHFFFAOYSA-N	-1	0	275.717	0.762	20	30		CCEDRM
C[C@H](C#N)NS(=O)(=O)c1cccc(C(=O)[O-])c1	ZINC001260193599	808856320	/nfs/dbraw/zinc/85/63/20/808856320.db2.gz	LVELINDZLUQQAL-SSDOTTSWSA-N	-1	0	254.267	0.575	20	30		CCEDRM
Cc1cnc(C#N)c([N-]S(=O)(=O)CS(C)(=O)=O)c1	ZINC001260584589	808868301	/nfs/dbraw/zinc/86/83/01/808868301.db2.gz	NZHXWSXXTAZWOM-UHFFFAOYSA-N	-1	0	289.338	0.006	20	30		CCEDRM
C=CCO[C@@H]1CCN(C(=O)NCC(=O)[N-]OCC)C1	ZINC001261510628	809004612	/nfs/dbraw/zinc/00/46/12/809004612.db2.gz	FMTFAXWSFIPHNK-SNVBAGLBSA-N	-1	0	271.317	0.041	20	30		CCEDRM
N#CCCCCC(=O)N1CCO[C@H](c2nnn[n-]2)C1	ZINC001261547646	809015402	/nfs/dbraw/zinc/01/54/02/809015402.db2.gz	RCGQOZBXDFJNLO-VIFPVBQESA-N	-1	0	264.289	0.184	20	30		CCEDRM
C=CC[C@@H](NC(=O)c1cnc2n1CCCC2)C(=O)[O-]	ZINC001261844007	809106108	/nfs/dbraw/zinc/10/61/08/809106108.db2.gz	YPEAXDWGVKOUTP-SECBINFHSA-N	-1	0	263.297	0.979	20	30		CCEDRM
C=C1CCC(C(=O)[N-]S(=O)(=O)CC(=O)OCC)CC1	ZINC001262098300	809190084	/nfs/dbraw/zinc/19/00/84/809190084.db2.gz	APWMONBXAXQLJN-UHFFFAOYSA-N	-1	0	289.353	0.742	20	30		CCEDRM
C#CC[C@@H](NC(=O)[C@H]1CCN(CC(F)(F)F)C1)C(=O)[O-]	ZINC001262178033	809223868	/nfs/dbraw/zinc/22/38/68/809223868.db2.gz	OHEPDAWQORRZEJ-DTWKUNHWSA-N	-1	0	292.257	0.463	20	30		CCEDRM
C=CC[C@@H](CO)CNC(=O)c1ccc(C(=O)[O-])o1	ZINC001262181353	809227118	/nfs/dbraw/zinc/22/71/18/809227118.db2.gz	KIEPIBLMEBPEET-MRVPVSSYSA-N	-1	0	253.254	0.892	20	30		CCEDRM
C=CCNC(=O)C(C#N)=C([O-])c1ccc(C(N)=O)o1	ZINC001263292086	809503652	/nfs/dbraw/zinc/50/36/52/809503652.db2.gz	SWASQHGDDINKIB-ZETCQYMHSA-N	-1	0	261.237	0.003	20	30		CCEDRM
CCOC(=O)C[C@@H](CC#N)OCC[P@@](=O)([O-])O	ZINC001224606260	815321757	/nfs/dbraw/zinc/32/17/57/815321757.db2.gz	NHWGWVOYKLYIBN-MRVPVSSYSA-N	-1	0	265.202	0.416	20	30		CCEDRM
Cc1nnc([S-])n(N=Cc2ccccc2O)c1=O	ZINC000585656583	811517398	/nfs/dbraw/zinc/51/73/98/811517398.db2.gz	DSCMESPTGXSZSK-UHFFFAOYSA-N	-1	0	262.294	0.823	20	30		CCEDRM
C=CC[C@@H]1CCN(C(=O)Cn2c(=O)[n-][nH]c2=O)C1	ZINC001167720667	811642301	/nfs/dbraw/zinc/64/23/01/811642301.db2.gz	OXWQGLPSOLHQGZ-MRVPVSSYSA-N	-1	0	252.274	0.114	20	30		CCEDRM
CC#CCCCC(=O)N[C@H]1CCN(Cc2n[nH]c(=O)[n-]2)C1	ZINC001267729056	811698410	/nfs/dbraw/zinc/69/84/10/811698410.db2.gz	MNPWMJPLWNIETJ-NSHDSACASA-N	-1	0	291.355	0.394	20	30		CCEDRM
C[C@@H](CNCC#N)CNC(=O)c1ccc2oc(=O)nc-2[n-]1	ZINC001270566651	813816040	/nfs/dbraw/zinc/81/60/40/813816040.db2.gz	BUVMIWIBGWAMDF-QMMMGPOBSA-N	-1	0	289.295	0.407	20	30		CCEDRM
N#Cc1ncncc1NC(=N)SCCS(=O)(=O)[O-]	ZINC001168090191	814620031	/nfs/dbraw/zinc/62/00/31/814620031.db2.gz	FHIGRBQYIZSJNL-UHFFFAOYSA-N	-1	0	287.326	0.316	20	30		CCEDRM
COc1ccc(OC(=O)[C@@H](O)CC(=O)[O-])c(C#N)c1	ZINC001228117537	814623500	/nfs/dbraw/zinc/62/35/00/814623500.db2.gz	KVGPWBAIDPGTGK-VIFPVBQESA-N	-1	0	265.221	0.308	20	30		CCEDRM
CC1=C(OCCCS(=O)(=O)[O-])C(=O)[C@H](C)O1	ZINC001224892865	815642491	/nfs/dbraw/zinc/64/24/91/815642491.db2.gz	FLAAWKZNVUPQOC-LURJTMIESA-N	-1	0	250.272	0.500	20	30		CCEDRM
C#Cc1ccc(C(=O)NC2CN(Cc3n[nH]c(=O)[n-]3)C2)cc1	ZINC001030776481	816282125	/nfs/dbraw/zinc/28/21/25/816282125.db2.gz	KPTFTLYTABHKGT-UHFFFAOYSA-N	-1	0	297.318	0.106	20	30		CCEDRM
CCc1cc(C([O-])=C(C#N)C(=O)NC2CC2)nn1C	ZINC001122415681	816691437	/nfs/dbraw/zinc/69/14/37/816691437.db2.gz	YPXDNGCYBDVVQF-SNVBAGLBSA-N	-1	0	260.297	0.584	20	30		CCEDRM
C=CCC[C@H](NC(=O)N[C@H]1COC[C@H]1C)C(=O)[O-]	ZINC000699543269	816773753	/nfs/dbraw/zinc/77/37/53/816773753.db2.gz	ZSRQMUPOOLBJLA-UTLUCORTSA-N	-1	0	256.302	0.740	20	30		CCEDRM
C[C@H]1CN(C)C(=O)CN1C(=O)CCC(=O)C1=CC=C[CH]1	ZINC001184244108	844187301	/nfs/dbraw/zinc/18/73/01/844187301.db2.gz	POWMHYORRHSVQU-NSHDSACASA-N	-1	0	275.328	0.725	20	30		CCEDRM
N#Cc1c(Cl)cc(C(=O)NCc2nnn[n-]2)nc1Cl	ZINC001184813392	844290034	/nfs/dbraw/zinc/29/00/34/844290034.db2.gz	PJAXZZULVQGWAY-UHFFFAOYSA-N	-1	0	298.093	0.703	20	30		CCEDRM
COc1ccc(S(=O)(=O)N(C)CC#N)cc1C(=O)[O-]	ZINC001185295983	844398951	/nfs/dbraw/zinc/39/89/51/844398951.db2.gz	QEUOOEYVSXOGOH-UHFFFAOYSA-N	-1	0	284.293	0.537	20	30		CCEDRM
Cc1ccc(C(=O)[O-])cc1S(=O)(=O)N[C@H](C)C#N	ZINC001185933985	844472908	/nfs/dbraw/zinc/47/29/08/844472908.db2.gz	JIHVQZWGNBZQTE-MRVPVSSYSA-N	-1	0	268.294	0.884	20	30		CCEDRM
C=C(C(=O)N[C@H]1SC(=O)[N-]C1=O)C(F)(F)F	ZINC001144213514	839977390	/nfs/dbraw/zinc/97/73/90/839977390.db2.gz	SHUOXMVSRNQAES-YFKPBYRVSA-N	-1	0	254.189	0.530	20	30		CCEDRM
N#Cc1cccc(O[N-]C(=O)CC2C(=O)N=CNC2=O)c1	ZINC001171256304	840214908	/nfs/dbraw/zinc/21/49/08/840214908.db2.gz	UYHJXHKCUKFUTP-UHFFFAOYSA-N	-1	0	286.247	0.412	20	30		CCEDRM
N#Cc1cc(NC(=O)c2c[nH]c(=O)cn2)c([O-])cc1F	ZINC001147624977	840636716	/nfs/dbraw/zinc/63/67/16/840636716.db2.gz	BXMOHPFXHGGHNK-UHFFFAOYSA-N	-1	0	274.211	0.739	20	30		CCEDRM
N#Cc1cnc([N-]S(=O)(=O)c2ccco2)cn1	ZINC001186797646	844601474	/nfs/dbraw/zinc/60/14/74/844601474.db2.gz	MGXISGCXKPWSFE-UHFFFAOYSA-N	-1	0	250.239	0.742	20	30		CCEDRM
C#CCNS(=O)(=O)c1ccc([O-])c([N+](=O)[O-])c1	ZINC000036904784	841289539	/nfs/dbraw/zinc/28/95/39/841289539.db2.gz	CERHNUQEJAASER-UHFFFAOYSA-N	-1	0	256.239	0.212	20	30		CCEDRM
N#Cc1nc[nH]c1NC(=O)C(F)(F)C(F)(F)C(=O)[O-]	ZINC001180169876	843115580	/nfs/dbraw/zinc/11/55/80/843115580.db2.gz	DSOBGIZQVCSROK-UHFFFAOYSA-N	-1	0	280.137	0.575	20	30		CCEDRM
N#CN=C(NC(O)=C([O-])C(F)(F)F)c1ccncc1	ZINC001183201998	843985217	/nfs/dbraw/zinc/98/52/17/843985217.db2.gz	STEOADUURVEVLP-ZETCQYMHSA-N	-1	0	272.186	0.349	20	30		CCEDRM
CCOCCS(=O)(=O)[N-]c1c(C#N)ncn1C	ZINC001187251053	844688897	/nfs/dbraw/zinc/68/88/97/844688897.db2.gz	ZDYVYIZBOMFMKY-UHFFFAOYSA-N	-1	0	258.303	0.070	20	30		CCEDRM
Cn1cc([N-]S(=O)(=O)c2cc(C#N)ccc2F)nn1	ZINC001190617548	845436451	/nfs/dbraw/zinc/43/64/51/845436451.db2.gz	MLQGZAWMEPRDBR-UHFFFAOYSA-N	-1	0	281.272	0.627	20	30		CCEDRM
O=C1C=C2CN(S(=O)(=O)c3ncc[n-]3)CC[C@@H]2S1	ZINC001190699383	845457845	/nfs/dbraw/zinc/45/78/45/845457845.db2.gz	XVALLVJBEPWMHJ-QMMMGPOBSA-N	-1	0	285.350	0.373	20	30		CCEDRM
C=CCC1(S(=O)(=O)NCc2cc(=O)[n-]o2)CC1	ZINC001190832607	845514725	/nfs/dbraw/zinc/51/47/25/845514725.db2.gz	CJABGPJRRHMDOJ-UHFFFAOYSA-N	-1	0	258.299	0.908	20	30		CCEDRM
C#C[C@H](CO)NS(=O)(=O)c1cc(Cl)cnc1Cl	ZINC001190722708	845477879	/nfs/dbraw/zinc/47/78/79/845477879.db2.gz	HGCRNAKERIPSBO-SSDOTTSWSA-N	-1	0	295.147	0.661	20	30		CCEDRM
C=CCC1(S(=O)(=O)NCCCC[P@](=O)([O-])O)CC1	ZINC001190833224	845514822	/nfs/dbraw/zinc/51/48/22/845514822.db2.gz	NHXMBTXRKUDRGE-UHFFFAOYSA-N	-1	0	297.313	0.972	20	30		CCEDRM
N#Cc1cc(F)c(C(=O)NCS(=O)(=O)[O-])c(F)c1	ZINC001191936676	845757635	/nfs/dbraw/zinc/75/76/35/845757635.db2.gz	WBSJHEWQVBWXFR-UHFFFAOYSA-N	-1	0	276.220	0.412	20	30		CCEDRM
N#CCS(=O)(=O)[N-]c1cccc2nsnc21	ZINC001192928409	845938212	/nfs/dbraw/zinc/93/82/12/845938212.db2.gz	AJQUESFGNCJFMD-UHFFFAOYSA-N	-1	0	254.296	0.957	20	30		CCEDRM
COC(=O)c1cscc1[N-]S(=O)(=O)CC#N	ZINC001192935417	845941649	/nfs/dbraw/zinc/94/16/49/845941649.db2.gz	QKMALUHSCWHTLK-UHFFFAOYSA-N	-1	0	260.296	0.800	20	30		CCEDRM
CCS(=O)(=O)c1ccc([N-]S(=O)(=O)CC#N)cc1	ZINC001192972346	845957304	/nfs/dbraw/zinc/95/73/04/845957304.db2.gz	UDEHUJNSJWSCNO-UHFFFAOYSA-N	-1	0	288.350	0.745	20	30		CCEDRM
COc1cc(C#N)c([N-]S(=O)(=O)CC#N)cc1OC	ZINC001192972347	845957475	/nfs/dbraw/zinc/95/74/75/845957475.db2.gz	UEWRHCYNAQPDAC-UHFFFAOYSA-N	-1	0	281.293	0.841	20	30		CCEDRM
COC(=O)c1ccc([N-]S(=O)(=O)CC#N)c(O)c1	ZINC001192978785	845961336	/nfs/dbraw/zinc/96/13/36/845961336.db2.gz	GPHNDALFPLEGBW-UHFFFAOYSA-N	-1	0	270.266	0.444	20	30		CCEDRM
C#Cc1cc([N-]S(=O)(=O)C(C)(C)C(=O)OCC)ccn1	ZINC001193013872	845966991	/nfs/dbraw/zinc/96/69/91/845966991.db2.gz	ZFLPXWAVLVBMIS-UHFFFAOYSA-N	-1	0	296.348	0.568	20	30		CCEDRM
Cc1c([N-]S(=O)(=O)[C@@H](C)C#N)cnn1[C@H]1CCOC1	ZINC001193112346	845980938	/nfs/dbraw/zinc/98/09/38/845980938.db2.gz	RGYLERUJDQOOOL-WPRPVWTQSA-N	-1	0	284.341	0.807	20	30		CCEDRM
COC(=O)c1ccc([N-]S(=O)(=O)[C@@H](C)C#N)c(O)c1	ZINC001193145761	846005316	/nfs/dbraw/zinc/00/53/16/846005316.db2.gz	AMWMMPPPELHNEY-ZETCQYMHSA-N	-1	0	284.293	0.833	20	30		CCEDRM
C[C@@H](C#N)S(=O)(=O)[N-]c1cccc(CO)c1F	ZINC001193151181	846005923	/nfs/dbraw/zinc/00/59/23/846005923.db2.gz	OBQLHBKEKOPEMK-ZETCQYMHSA-N	-1	0	258.274	0.972	20	30		CCEDRM
COc1ccc([N-]S(=O)(=O)[C@@H](C)C#N)c(C(N)=O)c1	ZINC001193151441	846006428	/nfs/dbraw/zinc/00/64/28/846006428.db2.gz	PZYMUOSWERLIBA-ZETCQYMHSA-N	-1	0	283.309	0.448	20	30		CCEDRM
C[C@H](C#N)S(=O)(=O)[N-]c1cccc2c1C(=O)NCC2	ZINC001193159008	846008791	/nfs/dbraw/zinc/00/87/91/846008791.db2.gz	YINWPEOQLLLIBI-MRVPVSSYSA-N	-1	0	279.321	0.626	20	30		CCEDRM
CONC(=O)c1ccccc1[N-]S(=O)(=O)[C@@H](C)C#N	ZINC001193160860	846010231	/nfs/dbraw/zinc/01/02/31/846010231.db2.gz	ITYOSNXYPHGMKC-QMMMGPOBSA-N	-1	0	283.309	0.632	20	30		CCEDRM
C[C@@H](C#N)S(=O)(=O)[N-][C@H]1Oc2ccc(CCO)cc2O1	ZINC001193192818	846013773	/nfs/dbraw/zinc/01/37/73/846013773.db2.gz	GDNXQKPVWQKFKM-UFBFGSQYSA-N	-1	0	298.320	0.108	20	30		CCEDRM
CCOC(=O)[C@@H]([N-]S(=O)(=O)[C@H](C)C#N)c1cccnc1	ZINC001193182581	846025899	/nfs/dbraw/zinc/02/58/99/846025899.db2.gz	OMLLDIGHIHJWOL-KOLCDFICSA-N	-1	0	297.336	0.517	20	30		CCEDRM
N#Cc1cncc([N-]S(=O)(=O)CC2CCC2)n1	ZINC001193471716	846086507	/nfs/dbraw/zinc/08/65/07/846086507.db2.gz	ZYJZDBPVYHBWNF-UHFFFAOYSA-N	-1	0	252.299	0.890	20	30		CCEDRM
CCOC(=O)[C@H](C#N)[N-]S(=O)(=O)CC1CCC1	ZINC001193534175	846096671	/nfs/dbraw/zinc/09/66/71/846096671.db2.gz	BFBRWGOOJOPQLR-VIFPVBQESA-N	-1	0	260.315	0.161	20	30		CCEDRM
N#Cc1c(N)nn(C(=O)c2ccc(F)c([O-])c2F)c1N	ZINC001193769266	846154984	/nfs/dbraw/zinc/15/49/84/846154984.db2.gz	CQCJAKLIBOXISB-UHFFFAOYSA-N	-1	0	279.206	0.591	20	30		CCEDRM
Cn1[n-]c(C(=O)Nc2ccc(O)c(C#N)c2)cc1=O	ZINC001194201411	846240653	/nfs/dbraw/zinc/24/06/53/846240653.db2.gz	LFWTUNLKKYKMFO-UHFFFAOYSA-N	-1	0	258.237	0.955	20	30		CCEDRM
C#CC[C@@H](NC(=O)C[C@@H]1CC(C)(C)CO1)C(=O)[O-]	ZINC000716948404	846443114	/nfs/dbraw/zinc/44/31/14/846443114.db2.gz	SFWKCACIALLAPU-NXEZZACHSA-N	-1	0	253.298	0.784	20	30		CCEDRM
CC(=O)N1C[C@@H]2C[C@]2(NC(=O)c2ccc(C#N)cc2[O-])C1	ZINC001195758769	846609839	/nfs/dbraw/zinc/60/98/39/846609839.db2.gz	SCZBWVNQWPOWDM-NHYWBVRUSA-N	-1	0	285.303	0.614	20	30		CCEDRM
Cn1cnc(CCNC(=O)c2ccc(C#N)cc2[O-])c1	ZINC001195757882	846610730	/nfs/dbraw/zinc/61/07/30/846610730.db2.gz	HHHILLFRZVQHML-UHFFFAOYSA-N	-1	0	270.292	0.970	20	30		CCEDRM
CC(C)[C@@](C)(NC(=O)c1ccc(C#N)cc1[O-])C(N)=O	ZINC001195763690	846611563	/nfs/dbraw/zinc/61/15/63/846611563.db2.gz	AZUYRAAOQBUMGQ-CQSZACIVSA-N	-1	0	275.308	0.894	20	30		CCEDRM
CN(C)S(=O)(=O)[N-]c1nc2ncccc2cc1C#N	ZINC001251051784	846808694	/nfs/dbraw/zinc/80/86/94/846808694.db2.gz	PQNWFQUZAVLXEM-UHFFFAOYSA-N	-1	0	277.309	0.720	20	30		CCEDRM
C#Cc1cnc([N-]S(=O)(=O)Cc2cccnc2)c(C#C)n1	ZINC001197423256	846908237	/nfs/dbraw/zinc/90/82/37/846908237.db2.gz	WQMIWFCODPQBCO-UHFFFAOYSA-N	-1	0	298.327	0.776	20	30		CCEDRM
Cc1ccc(S(=O)(=O)[N-]c2cnnn2C)cc1C#N	ZINC001201295355	847760118	/nfs/dbraw/zinc/76/01/18/847760118.db2.gz	PGWATFKGUZVJRR-UHFFFAOYSA-N	-1	0	277.309	0.796	20	30		CCEDRM
CC#CCN1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1[nH]nc(C)c1[O-])C2	ZINC001095316084	847999325	/nfs/dbraw/zinc/99/93/25/847999325.db2.gz	HITFBSNVDMLUGN-WOPDTQHZSA-N	-1	0	288.351	0.782	20	30		CCEDRM
C#C[C@H](CO)N=c1nc[nH]c2sc(C(=O)[O-])c(C)c21	ZINC000718193950	849241399	/nfs/dbraw/zinc/24/13/99/849241399.db2.gz	SPCZSWCVXWUNLV-SSDOTTSWSA-N	-1	0	277.305	0.526	20	30		CCEDRM
C=CCS(=O)(=O)[N-]c1nsnc1C(=O)OC	ZINC001259922783	851654021	/nfs/dbraw/zinc/65/40/21/851654021.db2.gz	IGMUXJQNIJZWLS-UHFFFAOYSA-N	-1	0	263.300	0.252	20	30		CCEDRM
Cn1nc(C(=O)[O-])cc1C=NNCCCn1ccnc1	ZINC000901261825	851663032	/nfs/dbraw/zinc/66/30/32/851663032.db2.gz	PQYWWTARXLJONW-UHFFFAOYSA-N	-1	0	276.300	0.329	20	30		CCEDRM
C=CCN1CCOC[C@@H]1CNC(=O)c1[nH]nc(C)c1[O-]	ZINC001050877425	853471400	/nfs/dbraw/zinc/47/14/00/853471400.db2.gz	XFVPYDOMOIFGGI-JTQLQIEISA-N	-1	0	280.328	0.040	20	30		CCEDRM
N#Cc1ccc(N2CCC[C@@H](NC(=O)c3cn[nH]n3)C2)cn1	ZINC001058268654	853808519	/nfs/dbraw/zinc/80/85/19/853808519.db2.gz	QYZVDZSEGLFDMW-LLVKDONJSA-N	-1	0	297.322	0.470	20	30		CCEDRM
C#CC[C@H](NC(=O)Cc1cccc(OC)c1)C(=O)[O-]	ZINC000149831678	853999710	/nfs/dbraw/zinc/99/97/10/853999710.db2.gz	UNPBWRAIIHWOLA-LBPRGKRZSA-N	-1	0	261.277	0.830	20	30		CCEDRM
C#CC[C@H](NC(=O)CCc1c(C)noc1C)C(=O)[O-]	ZINC000149864139	854004437	/nfs/dbraw/zinc/00/44/37/854004437.db2.gz	FUWBLWOZVSJFMC-NSHDSACASA-N	-1	0	264.281	0.817	20	30		CCEDRM
C[C@@H]1CC(=NN2CC(=O)N(C)C2=O)CC[C@H]1C(=O)[O-]	ZINC001117704662	856052500	/nfs/dbraw/zinc/05/25/00/856052500.db2.gz	ZRGZYHGOIQQXDH-VXNVDRBHSA-N	-1	0	267.285	0.757	20	30		CCEDRM
N#CCCCCC(=O)NCCCc1n[nH]c(=O)[n-]1	ZINC001118382981	856283042	/nfs/dbraw/zinc/28/30/42/856283042.db2.gz	AGLJEMMXHKWZRO-UHFFFAOYSA-N	-1	0	251.290	0.643	20	30		CCEDRM
C=CCOC[C@@H](NCc1ncc(Cl)n1C)C(=O)[O-]	ZINC001119536897	856725461	/nfs/dbraw/zinc/72/54/61/856725461.db2.gz	TXIHWAVZLDHQHA-MRVPVSSYSA-N	-1	0	273.720	0.819	20	30		CCEDRM
C=CC[C@@H](NC(=O)NC[C@H](C)CN1CCOCC1)C(=O)[O-]	ZINC001119577599	856751087	/nfs/dbraw/zinc/75/10/87/856751087.db2.gz	QSDOWNSKTANPLB-NWDGAFQWSA-N	-1	0	299.371	0.283	20	30		CCEDRM
C#CCN(CC1CC1)C(=O)COCc1ocnc1C(=O)[O-]	ZINC001119590375	856761148	/nfs/dbraw/zinc/76/11/48/856761148.db2.gz	SRODTAVZADHEQS-UHFFFAOYSA-N	-1	0	292.291	0.761	20	30		CCEDRM
C=CC[C@H](NC(=O)[C@H](C)Oc1ccccn1)C(=O)[O-]	ZINC001119643960	856802628	/nfs/dbraw/zinc/80/26/28/856802628.db2.gz	HBEXHSLMJHPCNI-UWVGGRQHSA-N	-1	0	264.281	0.994	20	30		CCEDRM
N#CCn1cc(NC(=O)C(=O)[N-]OC/C=C\Cl)cn1	ZINC001323918638	912584085	/nfs/dbraw/zinc/58/40/85/912584085.db2.gz	JTWXBRNJUGMHEG-UPHRSURJSA-N	-1	0	283.675	0.145	20	30		CCEDRM
Cc1nnc(NN=Cc2cccnc2N(C)C)[n-]c1=O	ZINC001324051018	912644811	/nfs/dbraw/zinc/64/48/11/912644811.db2.gz	MCWPLHZJRGFJQW-UHFFFAOYSA-N	-1	0	273.300	0.793	20	30		CCEDRM
C=CC[C@H](NC(=O)CS(=O)(=O)CCCCC)C(=O)[O-]	ZINC001325144130	913242776	/nfs/dbraw/zinc/24/27/76/913242776.db2.gz	OHKPGGWZTSLATK-JTQLQIEISA-N	-1	0	291.369	0.737	20	30		CCEDRM
C#CCN1CCC[C@H]1C(=O)N[C@@H](CC(F)(F)F)C(=O)[O-]	ZINC001350768873	891863467	/nfs/dbraw/zinc/86/34/67/891863467.db2.gz	OEVKCWXXIYUKGM-IUCAKERBSA-N	-1	0	292.257	0.606	20	30		CCEDRM
Cc1[nH]nc(C(=O)N2CCC(CCNCC#N)CC2)c1[O-]	ZINC001481995838	893302466	/nfs/dbraw/zinc/30/24/66/893302466.db2.gz	GYWJHHNWIXWSRA-UHFFFAOYSA-N	-1	0	291.355	0.779	20	30		CCEDRM
CC#CCCCC(=O)NCC1(NCc2n[nH]c(=O)[n-]2)CC1	ZINC001483759793	896020626	/nfs/dbraw/zinc/02/06/26/896020626.db2.gz	CCCRLUXSHSYUFF-UHFFFAOYSA-N	-1	0	291.355	0.442	20	30		CCEDRM
CCCC[C@H](CNCC#N)NC(=O)c1[nH]nc(C)c1[O-]	ZINC001485463528	897064038	/nfs/dbraw/zinc/06/40/38/897064038.db2.gz	MOYFQQRXRJNVNY-SNVBAGLBSA-N	-1	0	279.344	0.826	20	30		CCEDRM
C=CCOC[C@@H](CS(=O)(=O)[O-])O[C@@H](C)C(C)=O	ZINC001205239836	897717724	/nfs/dbraw/zinc/71/77/24/897717724.db2.gz	FUOLOTQFUOOJHS-UWVGGRQHSA-N	-1	0	266.315	0.440	20	30		CCEDRM
Cc1n[nH]c(C(=O)N[C@@H](C)CCNC(=O)[C@@H](C)C#N)c1[O-]	ZINC001078130603	898249051	/nfs/dbraw/zinc/24/90/51/898249051.db2.gz	HNQIQZJKYLRDMU-YUMQZZPRSA-N	-1	0	293.327	0.208	20	30		CCEDRM
Cc1n[nH]c(C(=O)N[C@H]2C[C@@H](NCC#N)C23CCC3)c1[O-]	ZINC001078601819	898427365	/nfs/dbraw/zinc/42/73/65/898427365.db2.gz	MMGVLHVZFMLALL-ZJUUUORDSA-N	-1	0	289.339	0.578	20	30		CCEDRM
Cc1n[nH]c(C(=O)N[C@@H]2C[C@H](NCC#N)C23CCC3)c1[O-]	ZINC001078601818	898428427	/nfs/dbraw/zinc/42/84/27/898428427.db2.gz	MMGVLHVZFMLALL-VHSXEESVSA-N	-1	0	289.339	0.578	20	30		CCEDRM
CCOC(=O)c1ccc([N-]S(=O)(=O)[C@H](C)C#N)cn1	ZINC001193106467	900031520	/nfs/dbraw/zinc/03/15/20/900031520.db2.gz	GCNXQWNBIBILPA-MRVPVSSYSA-N	-1	0	283.309	0.912	20	30		CCEDRM
CN(Cc1ccoc1)C(=O)Cn1cc(C#N)c(=O)[n-]c1=O	ZINC001411695526	901200432	/nfs/dbraw/zinc/20/04/32/901200432.db2.gz	IXKDKKSBDOOVCW-UHFFFAOYSA-N	-1	0	288.263	0.072	20	30		CCEDRM
N#Cc1cn(CC(=O)N[C@@H]2CCC(F)(F)C2)c(=O)[n-]c1=O	ZINC001411886397	901305228	/nfs/dbraw/zinc/30/52/28/901305228.db2.gz	UTPQIVKYUUZEER-MRVPVSSYSA-N	-1	0	298.249	0.125	20	30		CCEDRM
CC[C@@H]1CCN(C(=O)Cn2cc(C#N)c(=O)[n-]c2=O)[C@H]1C	ZINC001412039032	901423122	/nfs/dbraw/zinc/42/31/22/901423122.db2.gz	ATJIRIQPSBQLGU-VHSXEESVSA-N	-1	0	290.323	0.468	20	30		CCEDRM
CC1(C)CCCN(C(=O)Cn2c(=O)[n-][nH]c2=O)[C@H]1C#N	ZINC001412109167	901478036	/nfs/dbraw/zinc/47/80/36/901478036.db2.gz	LIUQQDSIQVGTLJ-QMMMGPOBSA-N	-1	0	279.300	0.230	20	30		CCEDRM
C=CCCC[C@H](C)NC(=O)C(=O)NCC(=O)[N-]OCC	ZINC001326981031	901988642	/nfs/dbraw/zinc/98/86/42/901988642.db2.gz	RJOJXVHPTLCQIX-JTQLQIEISA-N	-1	0	285.344	0.031	20	30		CCEDRM
N#CCCCCC(=O)[N-]S(=O)(=O)CC1(C#N)CC1	ZINC001327634189	914667388	/nfs/dbraw/zinc/66/73/88/914667388.db2.gz	DNDYXHVWIDJVKY-UHFFFAOYSA-N	-1	0	269.326	0.820	20	30		CCEDRM
C=C(C)CCC(=O)N1CC[C@@](C)(NC(=O)c2cn[nH]n2)C1	ZINC001299559808	904054990	/nfs/dbraw/zinc/05/49/90/904054990.db2.gz	RBPBIZZGPBHPHT-CQSZACIVSA-N	-1	0	291.355	0.882	20	30		CCEDRM
C[C@H]1CC(C)(C)CN1c1[n-]c(=O)n(C)c(=O)c1C#N	ZINC001337188939	921213150	/nfs/dbraw/zinc/21/31/50/921213150.db2.gz	AYGYLDUJNZPTLT-QMMMGPOBSA-N	-1	0	262.313	0.570	20	30		CCEDRM
N#CCNC(=O)c1nc[n-]c(=O)c1Br	ZINC001292650690	906318280	/nfs/dbraw/zinc/31/82/80/906318280.db2.gz	NBALMRCGVLQYKZ-UHFFFAOYSA-N	-1	0	257.047	0.198	20	30		CCEDRM
N#CCCCS(=O)(=O)[N-]C(=O)C1CCOCC1	ZINC001337262557	921226173	/nfs/dbraw/zinc/22/61/73/921226173.db2.gz	KVXFDJXQJVWOSY-UHFFFAOYSA-N	-1	0	260.315	0.163	20	30		CCEDRM
N#Cc1ccc(CNC(=O)CCc2nnn[n-]2)cc1	ZINC001293780879	906516588	/nfs/dbraw/zinc/51/65/88/906516588.db2.gz	QVQKPORQJZPTPG-UHFFFAOYSA-N	-1	0	256.269	0.320	20	30		CCEDRM
N#CC[C@@H](NC(=O)c1c[n-]ncc1=O)C(F)(F)F	ZINC001337437533	921250192	/nfs/dbraw/zinc/25/01/92/921250192.db2.gz	YDZIIOQEPWETSD-SSDOTTSWSA-N	-1	0	260.175	0.757	20	30		CCEDRM
O=C(/C=C\c1ccc(F)cc1)C(=O)[N-]OCCO	ZINC001296720462	906955026	/nfs/dbraw/zinc/95/50/26/906955026.db2.gz	OXZYROUJFWKDHU-UTCJRWHESA-N	-1	0	253.229	0.448	20	30		CCEDRM
C[C@H]1CCCC[C@H]1Nc1[n-]c(=O)n(C)c(=O)c1C#N	ZINC001337760414	921292203	/nfs/dbraw/zinc/29/22/03/921292203.db2.gz	UJHFNEWPMNVCHT-WCBMZHEXSA-N	-1	0	262.313	0.936	20	30		CCEDRM
O=C(N[C@@H]1CCN(O)C1=O)c1cc(=O)[nH]c(C2CC2)c1	ZINC001298426375	907238163	/nfs/dbraw/zinc/23/81/63/907238163.db2.gz	QBCJRKMYFWMUHZ-SECBINFHSA-N	-1	0	277.280	0.385	20	30		CCEDRM
O=C(N[C@H]1CCN(O)C1=O)c1ccnc(-c2ccccc2)n1	ZINC001298426864	907239938	/nfs/dbraw/zinc/23/99/38/907239938.db2.gz	QPNGWEXOGVDGDK-LBPRGKRZSA-N	-1	0	298.302	0.864	20	30		CCEDRM
N#CCCCCC(=O)N1CCOC[C@H]1c1nnn[n-]1	ZINC001302137439	908007940	/nfs/dbraw/zinc/00/79/40/908007940.db2.gz	OWSLUFCXUVFUSD-VIFPVBQESA-N	-1	0	264.289	0.184	20	30		CCEDRM
N#Cc1cn(CCC(=O)NCc2ccco2)c(=O)[n-]c1=O	ZINC001417598085	921439088	/nfs/dbraw/zinc/43/90/88/921439088.db2.gz	BZHCCMUWICJSOX-UHFFFAOYSA-N	-1	0	288.263	0.120	20	30		CCEDRM
Cc1[nH]cnc1C=Nn1c(=O)c(C)n[n-]c1=S	ZINC001319705484	910264186	/nfs/dbraw/zinc/26/41/86/910264186.db2.gz	JSFPSGLLVQTZRV-UHFFFAOYSA-N	-1	0	250.287	0.149	20	30		CCEDRM
Cc1cc(C#N)c(=O)[n-]c1C(=O)NC[C@H](O)C(F)(F)F	ZINC001417770196	921603062	/nfs/dbraw/zinc/60/30/62/921603062.db2.gz	VXVVKNHXFDEBEG-ZETCQYMHSA-N	-1	0	289.213	0.620	20	30		CCEDRM
COC(=O)c1ncsc1S(=O)(=O)[N-]C1(C#N)CC1	ZINC001320753771	910844494	/nfs/dbraw/zinc/84/44/94/910844494.db2.gz	ZPAFTQREVVXSIN-UHFFFAOYSA-N	-1	0	287.322	0.264	20	30		CCEDRM
CC[C@@H]1[C@@H](NC(=O)[C@@H](C)C#N)CCN1Cc1n[nH]c(=O)[n-]1	ZINC001417823385	921632417	/nfs/dbraw/zinc/63/24/17/921632417.db2.gz	SCDMFSCEKDOPOK-LPEHRKFASA-N	-1	0	292.343	0.139	20	30		CCEDRM
C=CC[C@H](NC(=O)[C@H](C)NC(=O)C1CCCC1)C(=O)[O-]	ZINC001321166407	911128945	/nfs/dbraw/zinc/12/89/45/911128945.db2.gz	DNBBVPYTINMRQG-ONGXEEELSA-N	-1	0	282.340	0.827	20	30		CCEDRM
Cc1cc(C#N)c(=O)[n-]c1C(=O)NCc1nnc(C2CC2)[nH]1	ZINC001417879805	921670764	/nfs/dbraw/zinc/67/07/64/921670764.db2.gz	JKDTYLZGOXUURK-UHFFFAOYSA-N	-1	0	298.306	0.893	20	30		CCEDRM
C=CC[C@@H](NC(=O)NCCCn1ccnc1C)C(=O)[O-]	ZINC001339492525	921739669	/nfs/dbraw/zinc/73/96/69/921739669.db2.gz	JRVFILCZJRQKMO-LLVKDONJSA-N	-1	0	280.328	0.910	20	30		CCEDRM
C=CC[C@H](NC(=O)Nc1cc(C)nn1C)C(=O)[O-]	ZINC001328451601	915204415	/nfs/dbraw/zinc/20/44/15/915204415.db2.gz	RFLXKNSSFYDFTE-QMMMGPOBSA-N	-1	0	252.274	0.879	20	30		CCEDRM
CCSCC[C@@H](C)N(C)c1[n-]c(=O)n(C)c(=O)c1C#N	ZINC001339609071	921774828	/nfs/dbraw/zinc/77/48/28/921774828.db2.gz	FWDJDXTYZSFPTB-SECBINFHSA-N	-1	0	296.396	0.913	20	30		CCEDRM
CC[C@@H]1CC[C@H](C)N1c1[n-]c(=O)n(C)c(=O)c1C#N	ZINC001339648753	921786045	/nfs/dbraw/zinc/78/60/45/921786045.db2.gz	KMPOEPVQSDNDBF-DTWKUNHWSA-N	-1	0	262.313	0.713	20	30		CCEDRM
C=CCN(C(=O)C(=O)N[C@H]1C[C@@H](C(=O)[O-])C1)C1CC1	ZINC001331080964	917073809	/nfs/dbraw/zinc/07/38/09/917073809.db2.gz	QJPITBMGLQMJCW-DTORHVGOSA-N	-1	0	266.297	0.143	20	30		CCEDRM
C=CCOC[C@@H](NCc1cnc(N(C)C)n1C)C(=O)[O-]	ZINC001331933471	917728838	/nfs/dbraw/zinc/72/88/38/917728838.db2.gz	CWUIANBABZSKET-LLVKDONJSA-N	-1	0	282.344	0.232	20	30		CCEDRM
CC(C)CO[N-]C(=O)C(=O)N[C@@H]1CC[C@H](C#N)C1	ZINC001332058095	917830636	/nfs/dbraw/zinc/83/06/36/917830636.db2.gz	JQDGEIPINAKINM-VHSXEESVSA-N	-1	0	253.302	0.499	20	30		CCEDRM
C=CC[C@H](NC(=O)c1cccnc1OCCOC)C(=O)[O-]	ZINC001332171744	917932263	/nfs/dbraw/zinc/93/22/63/917932263.db2.gz	DTSCVULXNAHMPV-NSHDSACASA-N	-1	0	294.307	0.866	20	30		CCEDRM
C=CC[C@@H](NC(=O)[C@H]1CCCc2nn(C)cc21)C(=O)[O-]	ZINC001332613745	918311625	/nfs/dbraw/zinc/31/16/25/918311625.db2.gz	NWJCBPPRPSKIHI-JOYOIKCWSA-N	-1	0	277.324	0.986	20	30		CCEDRM
C=CC(C)(C)CCNC(=O)C(=O)[N-]OC[C@@H]1CCOC1	ZINC001336556526	920835754	/nfs/dbraw/zinc/83/57/54/920835754.db2.gz	LIZOGAPMPGDUPM-LLVKDONJSA-N	-1	0	284.356	0.789	20	30		CCEDRM
CCC1(CC)CN(c2[n-]c(=O)n(C)c(=O)c2C#N)C1	ZINC001336637617	920891392	/nfs/dbraw/zinc/89/13/92/920891392.db2.gz	RRLLXHZTZHLBEY-UHFFFAOYSA-N	-1	0	262.313	0.572	20	30		CCEDRM
Cn1c(=O)[n-]c(N[C@@H]2CCC[C@H](F)C2)c(C#N)c1=O	ZINC001336659849	920908504	/nfs/dbraw/zinc/90/85/04/920908504.db2.gz	FTXNZUMJOAFEJQ-JGVFFNPUSA-N	-1	0	266.276	0.638	20	30		CCEDRM
C#CC[C@H]1CCCN(c2[n-]c(=O)n(C)c(=O)c2C#N)C1	ZINC001336678777	920921491	/nfs/dbraw/zinc/92/14/91/920921491.db2.gz	JOYYPOHNHVBSGP-JTQLQIEISA-N	-1	0	272.308	0.185	20	30		CCEDRM
Cn1c(=O)[n-]c(N[C@@H]2C[C@@H]3CCC[C@H]23)c(C#N)c1=O	ZINC001336741191	920973527	/nfs/dbraw/zinc/97/35/27/920973527.db2.gz	XEGACPKXSVRKKE-OYNCUSHFSA-N	-1	0	260.297	0.546	20	30		CCEDRM
C=CCO[N-]C(=O)C(=O)Nc1ccnn1[C@H]1CCCOC1	ZINC001336804788	921023460	/nfs/dbraw/zinc/02/34/60/921023460.db2.gz	VSQSDURGIOFZAA-JTQLQIEISA-N	-1	0	294.311	0.407	20	30		CCEDRM
C=CCn1c(-c2cc(=O)[nH][n-]2)nnc1N(C)CC1CC1	ZINC001340432477	922082313	/nfs/dbraw/zinc/08/23/13/922082313.db2.gz	YSEHUNVKIZHCIZ-UHFFFAOYSA-N	-1	0	274.328	0.534	20	30		CCEDRM
CC[C@@H](C)CCC(=O)NCCn1cc(C#N)c(=O)[n-]c1=O	ZINC001418535870	922231243	/nfs/dbraw/zinc/23/12/43/922231243.db2.gz	DTSVOLBHIAMTCU-SNVBAGLBSA-N	-1	0	292.339	0.763	20	30		CCEDRM
CCc1cc(C([O-])=C(C#N)C(=O)NCCOC)nn1C	ZINC001342583754	923009933	/nfs/dbraw/zinc/00/99/33/923009933.db2.gz	MVLGJQLXXZZBCT-SNVBAGLBSA-N	-1	0	278.312	0.068	20	30		CCEDRM
COCCNC(=O)C(C#N)=C([O-])c1ocnc1C	ZINC001342595211	923015647	/nfs/dbraw/zinc/01/56/47/923015647.db2.gz	INXXILNPXHLCDK-MRVPVSSYSA-N	-1	0	251.242	0.068	20	30		CCEDRM
CCn1nncc1C([O-])=C(C#N)C(=O)c1nccn1C	ZINC001342610309	923024020	/nfs/dbraw/zinc/02/40/20/923024020.db2.gz	KGGZQUKLPWFIMP-MRVPVSSYSA-N	-1	0	272.268	0.237	20	30		CCEDRM
CCc1cc(C([O-])=C(C#N)C(=O)NC(C)C)nn1C	ZINC001343364758	923285890	/nfs/dbraw/zinc/28/58/90/923285890.db2.gz	DQDITXVNHSBCRK-JTQLQIEISA-N	-1	0	262.313	0.830	20	30		CCEDRM
CNC(=O)C(C#N)=C([O-])c1nn(C)c2c1CCCC2	ZINC001343538742	923367915	/nfs/dbraw/zinc/36/79/15/923367915.db2.gz	KZIMORJDZZCMCL-VIFPVBQESA-N	-1	0	260.297	0.367	20	30		CCEDRM
C=CCOC[C@H](NC(=O)/C=C/c1nccs1)C(=O)[O-]	ZINC001344521523	923621520	/nfs/dbraw/zinc/62/15/20/923621520.db2.gz	AHOMJHXUVWQMGZ-NWALNABHSA-N	-1	0	282.321	0.928	20	30		CCEDRM
C=CCCOCC(=O)N1CC[C@@H]([C@H](F)C(=O)[O-])C1	ZINC001344536754	923629012	/nfs/dbraw/zinc/62/90/12/923629012.db2.gz	RXQHURGOOMCYKX-KOLCDFICSA-N	-1	0	259.277	0.850	20	30		CCEDRM
Cc1[nH]c(C=NN2CCN(C)CC2)cc1C(=O)[O-]	ZINC001344636673	923657966	/nfs/dbraw/zinc/65/79/66/923657966.db2.gz	DDDNWCSBBJMCNA-UHFFFAOYSA-N	-1	0	250.302	0.603	20	30		CCEDRM
Cn1ccnc1C([O-])=C(C#N)C(=O)[C@@H]1[C@@H]2CCC(=O)[C@@H]21	ZINC001345062748	923781164	/nfs/dbraw/zinc/78/11/64/923781164.db2.gz	VDUVQVSNFFWADH-YJFSRANCSA-N	-1	0	271.276	0.537	20	30		CCEDRM
C=C[C@@H](O)C(=O)N1CCc2ccc(C(=O)[O-])nc2C1	ZINC001345133550	923802335	/nfs/dbraw/zinc/80/23/35/923802335.db2.gz	MVUANPWHIWZBOL-LLVKDONJSA-N	-1	0	262.265	0.211	20	30		CCEDRM
CNC(=O)C(C#N)=C([O-])c1ccn(CC(F)(F)F)n1	ZINC001346296395	924148301	/nfs/dbraw/zinc/14/83/01/924148301.db2.gz	RWCVPMPYBPJKQS-ZCFIWIBFSA-N	-1	0	274.202	0.514	20	30		CCEDRM
C#Cc1cncc(C(=O)N2CCC[C@@H](Cc3nnn[n-]3)C2)c1	ZINC001347307293	924418662	/nfs/dbraw/zinc/41/86/62/924418662.db2.gz	RXUGUSJGDAGXSH-LBPRGKRZSA-N	-1	0	296.334	0.671	20	30		CCEDRM
C#CCCCCC(=O)N[C@H](C(=O)[O-])[C@@H](O)c1ccncc1	ZINC001347561272	924480564	/nfs/dbraw/zinc/48/05/64/924480564.db2.gz	HLPYGBLLYPUEIR-KBPBESRZSA-N	-1	0	290.319	0.878	20	30		CCEDRM
Nc1ccc(C=Nn2c(=O)[n-][nH]c2=O)c(Cl)c1	ZINC001347601024	924490056	/nfs/dbraw/zinc/49/00/56/924490056.db2.gz	YIZQADLOTLIMJN-UHFFFAOYSA-N	-1	0	253.649	0.807	20	30		CCEDRM
C=CCCC(=O)[N-]S(=O)(=O)c1nn(C)cc1[N+](=O)[O-]	ZINC001348297163	924640856	/nfs/dbraw/zinc/64/08/56/924640856.db2.gz	UVZWGMKEFHFOMA-UHFFFAOYSA-N	-1	0	288.285	0.099	20	30		CCEDRM
C=CCC1(C(=O)[O-])CN(S(=O)(=O)c2cn(C)nc2C)C1	ZINC001350697949	925257936	/nfs/dbraw/zinc/25/79/36/925257936.db2.gz	YRKJQDAISWJRBS-UHFFFAOYSA-N	-1	0	299.352	0.380	20	30		CCEDRM
C=C[C@@H](C)O[N-]C(=O)CN1C(=O)c2ccccc2C1=O	ZINC001300211406	925743216	/nfs/dbraw/zinc/74/32/16/925743216.db2.gz	VBILAVXXZFKGKG-SECBINFHSA-N	-1	0	274.276	0.905	20	30		CCEDRM
N#CC1(CNC(=O)N2CC[C@@H](C(=O)[O-])C2)CCC1	ZINC001353155772	925744066	/nfs/dbraw/zinc/74/40/66/925744066.db2.gz	MIODZCIMJBYUGE-SECBINFHSA-N	-1	0	251.286	0.796	20	30		CCEDRM
C=CCO[C@H]1CCN(C(=O)C(=O)NC[C@@H](CC)C(=O)[O-])C1	ZINC001354271258	926066167	/nfs/dbraw/zinc/06/61/67/926066167.db2.gz	WELCPDISAJPBIF-MNOVXSKESA-N	-1	0	298.339	0.017	20	30		CCEDRM
C=CCCCN(CC)c1nnc(-c2cc(=O)[nH][n-]2)n1C	ZINC001355550329	926281810	/nfs/dbraw/zinc/28/18/10/926281810.db2.gz	XILSRUJDZKMCRS-UHFFFAOYSA-N	-1	0	276.344	0.832	20	30		CCEDRM
N#Cc1c[n-]n2c1nc(CN1CC[C@H](O)[C@H](F)C1)cc2=O	ZINC001414054126	926901073	/nfs/dbraw/zinc/90/10/73/926901073.db2.gz	QCSIDPMVHURUJF-MNOVXSKESA-N	-1	0	291.286	0.211	20	30		CCEDRM
C=CC[C@H](NC(=O)[C@@H](C)NC(=O)c1ccccc1)C(=O)[O-]	ZINC000150002516	926944646	/nfs/dbraw/zinc/94/46/46/926944646.db2.gz	CRLIVCFGRKEECF-PWSUYJOCSA-N	-1	0	290.319	0.950	20	30		CCEDRM
C=CC[C@@H](NC(=O)c1c(C)c(C)n[nH]c1=O)C(=O)[O-]	ZINC000150151611	926947558	/nfs/dbraw/zinc/94/75/58/926947558.db2.gz	IAZWYRFNCGLAAF-MRVPVSSYSA-N	-1	0	265.269	0.146	20	30		CCEDRM
C=CC[C@@H](NC(=O)C1CCN(C(C)=O)CC1)C(=O)[O-]	ZINC000150083097	926947818	/nfs/dbraw/zinc/94/78/18/926947818.db2.gz	NYUFDDTTXJSIIX-LLVKDONJSA-N	-1	0	268.313	0.390	20	30		CCEDRM
CC[C@H](C)C[C@@H](CO)Nc1[n-]c(=O)n(C)c(=O)c1C#N	ZINC001413893707	926949967	/nfs/dbraw/zinc/94/99/67/926949967.db2.gz	NPECIYUMXJKTGT-IUCAKERBSA-N	-1	0	280.328	0.154	20	30		CCEDRM
CCN(C[C@H](C)C#N)C(=O)CCCn1c(=O)[n-][nH]c1=O	ZINC001361657964	927227979	/nfs/dbraw/zinc/22/79/79/927227979.db2.gz	RCRZDTFLVUCDFS-SECBINFHSA-N	-1	0	281.316	0.478	20	30		CCEDRM
CN(Cc1ccc(C#N)cc1)C(=O)c1n[nH]c(=O)[n-]c1=O	ZINC001361901336	927433002	/nfs/dbraw/zinc/43/30/02/927433002.db2.gz	APBKLLLAHHFURV-UHFFFAOYSA-N	-1	0	285.263	0.427	20	30		CCEDRM
C[C@H]1CCC[C@@H](NC(=O)Cn2cc(C#N)c(=O)[n-]c2=O)C1	ZINC001361920113	927450017	/nfs/dbraw/zinc/45/00/17/927450017.db2.gz	ZVLQHQYFCLSJCX-GXSJLCMTSA-N	-1	0	290.323	0.515	20	30		CCEDRM
Cc1cc(C#N)c(=O)[n-]c1C(=O)N[C@@H](CCO)C1CC1	ZINC001362140046	927658816	/nfs/dbraw/zinc/65/88/16/927658816.db2.gz	RYRLUTJZMMCYNF-NSHDSACASA-N	-1	0	275.308	0.858	20	30		CCEDRM
COc1cc(C(=O)NCc2nc(=O)o[n-]2)ccc1C#N	ZINC001362197810	927722315	/nfs/dbraw/zinc/72/23/15/927722315.db2.gz	HMKVRIWOOSWWNO-UHFFFAOYSA-N	-1	0	274.236	0.173	20	30		CCEDRM
Cc1cc(C#N)c(=O)[n-]c1C(=O)N[C@H](C)CS(C)(=O)=O	ZINC001362280614	927821529	/nfs/dbraw/zinc/82/15/29/927821529.db2.gz	XKEXEAYKDHWNJI-MRVPVSSYSA-N	-1	0	297.336	0.130	20	30		CCEDRM
CN(Cc1nc(=O)o[n-]1)C(=O)C1(c2ccc(C#N)cc2)CC1	ZINC001362608908	928245164	/nfs/dbraw/zinc/24/51/64/928245164.db2.gz	XLQOUQZRBFAXNI-UHFFFAOYSA-N	-1	0	298.302	0.925	20	30		CCEDRM
CO[C@@H]1CN(C(=O)c2[n-]c(=O)c(C#N)cc2C)CCO1	ZINC001362617191	928258479	/nfs/dbraw/zinc/25/84/79/928258479.db2.gz	LDCSGSAKDHJHJR-JTQLQIEISA-N	-1	0	277.280	0.412	20	30		CCEDRM
N#C[C@@H](CCc1ccccc1)C(=O)Nn1c(=O)[n-][nH]c1=O	ZINC001362947671	928685764	/nfs/dbraw/zinc/68/57/64/928685764.db2.gz	CPUIWCVMIKPSOJ-SNVBAGLBSA-N	-1	0	287.279	0.532	20	30		CCEDRM
COc1cc(C(=O)Nc2nc(C#N)c(C#N)[n-]2)sn1	ZINC001362973774	928715871	/nfs/dbraw/zinc/71/58/71/928715871.db2.gz	YKIUTKFOYRVDAR-UHFFFAOYSA-N	-1	0	274.265	0.870	20	30		CCEDRM
Cc1cc(C#N)c(=O)[n-]c1C(=O)N1CCC[C@H]1C(N)=O	ZINC001363077725	928844858	/nfs/dbraw/zinc/84/48/58/928844858.db2.gz	PHYUDCKQRRFVDM-VIFPVBQESA-N	-1	0	274.280	0.057	20	30		CCEDRM
CC[C@H](C)[C@H](C)C(=O)NCCn1cc(C#N)c(=O)[n-]c1=O	ZINC001363127956	928900121	/nfs/dbraw/zinc/90/01/21/928900121.db2.gz	JVYTVRQMARJQPR-UWVGGRQHSA-N	-1	0	292.339	0.619	20	30		CCEDRM
Cn1c(=O)[n-]c(N[C@H]2CCCc3cccnc32)c(C#N)c1=O	ZINC001363167364	928938757	/nfs/dbraw/zinc/93/87/57/928938757.db2.gz	NIFQWOBDFMWJLZ-NSHDSACASA-N	-1	0	297.318	0.830	20	30		CCEDRM
COc1cc(Cn2c(=O)[n-]cc(C#N)c2=O)ccc1C	ZINC001363185657	928957239	/nfs/dbraw/zinc/95/72/39/928957239.db2.gz	QXVZEZHYWRGCIO-UHFFFAOYSA-N	-1	0	271.276	0.774	20	30		CCEDRM
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C#CCCc1noc([C@@H]2CCCN(CC(=O)[O-])C2=O)n1	ZINC001588395125	958038691	/nfs/dbraw/zinc/03/86/91/958038691.db2.gz	COHYZTGLKOMKQP-VIFPVBQESA-N	-1	0	277.280	0.426	20	30		CCEDRM
C#CCN(C(=O)[C@@H]1CO[C@@H](CCC(=O)[O-])C1)C1CSC1	ZINC001588395658	958043416	/nfs/dbraw/zinc/04/34/16/958043416.db2.gz	KBMQFMAIRRFKBS-JQWIXIFHSA-N	-1	0	297.376	0.834	20	30		CCEDRM
C#CCN(CC(=O)[O-])C(=O)[C@@H]1CC(=O)N(C(C)(C)C)C1	ZINC001588398887	958070240	/nfs/dbraw/zinc/07/02/40/958070240.db2.gz	DGSSSZHZBPRJEJ-SNVBAGLBSA-N	-1	0	280.324	0.180	20	30		CCEDRM
C#CCN(CC(=O)[O-])C(=O)/C=C(/C)c1cnccn1	ZINC001588400353	958080630	/nfs/dbraw/zinc/08/06/30/958080630.db2.gz	VVRZRXRFXBCFEQ-YFHOEESVSA-N	-1	0	259.265	0.426	20	30		CCEDRM
C#CCN(CC(=O)[O-])C(=O)Cc1cnccc1Cl	ZINC001588407214	958098456	/nfs/dbraw/zinc/09/84/56/958098456.db2.gz	JEXIGBRYCJBLJQ-UHFFFAOYSA-N	-1	0	266.684	0.824	20	30		CCEDRM
C#CCN(CC(=O)[O-])C(=O)COCc1cc(C)on1	ZINC001588407367	958099388	/nfs/dbraw/zinc/09/93/88/958099388.db2.gz	KYQOLIQERKLFKS-UHFFFAOYSA-N	-1	0	266.253	0.046	20	30		CCEDRM
C#CCN(CC(=O)[O-])C(=O)Cc1cc(OC)ccc1OC	ZINC001588407475	958100026	/nfs/dbraw/zinc/10/00/26/958100026.db2.gz	OXBVZIWLPBOHKK-UHFFFAOYSA-N	-1	0	291.303	0.793	20	30		CCEDRM
C#CCN(CC(=O)[O-])C(=O)NC[C@@H]1COC2(CCCC2)O1	ZINC001588408512	958110970	/nfs/dbraw/zinc/11/09/70/958110970.db2.gz	QHMHLZJXTZQSDA-LLVKDONJSA-N	-1	0	296.323	0.402	20	30		CCEDRM
C#CCN(CC(=O)[O-])C(=O)N[C@@H]1C[C@H]2CCC[C@@H]21	ZINC001588409575	958129220	/nfs/dbraw/zinc/12/92/20/958129220.db2.gz	GTBWGYMLCUYORU-OUAUKWLOSA-N	-1	0	250.298	0.904	20	30		CCEDRM
C#CCN(CC(=O)[O-])C(=O)Nc1ccnc2cc(C)nn21	ZINC001588412657	958152350	/nfs/dbraw/zinc/15/23/50/958152350.db2.gz	HGHYRHHPHQMHTE-UHFFFAOYSA-N	-1	0	287.279	0.589	20	30		CCEDRM
C#CCN(CC(=O)[O-])C(=O)Nc1cccnc1OC	ZINC001588412977	958154980	/nfs/dbraw/zinc/15/49/80/958154980.db2.gz	PJDKZLBPAULCQG-UHFFFAOYSA-N	-1	0	263.253	0.642	20	30		CCEDRM
C#CCN(CC(=O)[O-])C(=O)c1c2c(nn1C)CCCC2	ZINC001588417523	958174665	/nfs/dbraw/zinc/17/46/65/958174665.db2.gz	SYTZWCJQMNTRRR-UHFFFAOYSA-N	-1	0	275.308	0.459	20	30		CCEDRM
C#CCN(CC(=O)[O-])C(=O)c1cnn(C(F)F)c1	ZINC001588418374	958177728	/nfs/dbraw/zinc/17/77/28/958177728.db2.gz	CTPAERAIDVQOQU-UHFFFAOYSA-N	-1	0	257.196	0.438	20	30		CCEDRM
C#CCN(CC(=O)[O-])C(=O)c1cn(C(C)(C)C)nn1	ZINC001588418406	958179338	/nfs/dbraw/zinc/17/93/38/958179338.db2.gz	DZODSXMSZVWLLM-UHFFFAOYSA-N	-1	0	264.285	0.193	20	30		CCEDRM
C#CCN(CC(=O)[O-])C(=O)c1nnc(C(C)(C)C)s1	ZINC001588418621	958182570	/nfs/dbraw/zinc/18/25/70/958182570.db2.gz	OFXSMTGRKGIIMR-UHFFFAOYSA-N	-1	0	281.337	0.996	20	30		CCEDRM
C#CCN(CC(=O)[O-])C(=O)c1nccn2cc(C)nc12	ZINC001588418570	958182734	/nfs/dbraw/zinc/18/27/34/958182734.db2.gz	MLSILYUICWVJCB-UHFFFAOYSA-N	-1	0	272.264	0.198	20	30		CCEDRM
C#CCN(CC(=O)[O-])CC(=O)N[C@](C)(C#N)C(C)C	ZINC001588420308	958203388	/nfs/dbraw/zinc/20/33/88/958203388.db2.gz	VGVLTOFFBGECSF-CYBMUJFWSA-N	-1	0	265.313	0.061	20	30		CCEDRM
C#CCN(CC(=O)[O-])Cc1ncnn1C(C)(C)C	ZINC001588425317	958224873	/nfs/dbraw/zinc/22/48/73/958224873.db2.gz	MSWAZNAFKZGBRT-UHFFFAOYSA-N	-1	0	250.302	0.553	20	30		CCEDRM
Cc1cc2c(cc1C#N)[nH]nc2NC(=O)COCC(=O)[O-]	ZINC001594331555	958228290	/nfs/dbraw/zinc/22/82/90/958228290.db2.gz	ORUFJFCUBOEBHQ-UHFFFAOYSA-N	-1	0	288.263	0.783	20	30		CCEDRM
C#CCN(CC(=O)[O-])c1nnc([C@@H](C)CO)n1CC(=C)C	ZINC001588426787	958233586	/nfs/dbraw/zinc/23/35/86/958233586.db2.gz	BUKGWOWADDFLDS-NSHDSACASA-N	-1	0	292.339	0.474	20	30		CCEDRM
C#CCN(CC(=O)[O-])c1nnc([C@H]2C[C@H]2C#N)n1CC=C	ZINC001588426871	958235643	/nfs/dbraw/zinc/23/56/43/958235643.db2.gz	FHSABXVYBXWRPF-QWRGUYRKSA-N	-1	0	285.307	0.615	20	30		CCEDRM
C#CCN(CC(=O)[O-])c1nnnn1CC1(C)CCOCC1	ZINC001588427400	958246253	/nfs/dbraw/zinc/24/62/53/958246253.db2.gz	WCAGBARIDAYTAB-UHFFFAOYSA-N	-1	0	293.327	0.014	20	30		CCEDRM
C#CCNC(=O)C1CCN(C(=O)[C@H]2CC[C@H]2C(=O)[O-])CC1	ZINC001588430886	958263181	/nfs/dbraw/zinc/26/31/81/958263181.db2.gz	PZCKIZBPCINROA-NWDGAFQWSA-N	-1	0	292.335	0.085	20	30		CCEDRM
C=C(C)CCn1nnnc1N1CC[C@@](COC)(C(=O)[O-])C1	ZINC001588441273	958335544	/nfs/dbraw/zinc/33/55/44/958335544.db2.gz	IFBDUUSRCUPXRZ-CYBMUJFWSA-N	-1	0	295.343	0.567	20	30		CCEDRM
C=C(C)CN(C)C(=O)C(=O)N[C@@H]1CC[C@H](C(=O)[O-])C1	ZINC001588441583	958338487	/nfs/dbraw/zinc/33/84/87/958338487.db2.gz	JZFVOQSFRYKRHM-VHSXEESVSA-N	-1	0	268.313	0.390	20	30		CCEDRM
C=C(CC)COC(=O)C1(C(=O)[O-])CCS(=O)(=O)CC1	ZINC001588444650	958364602	/nfs/dbraw/zinc/36/46/02/958364602.db2.gz	MJORWIULXROWQO-UHFFFAOYSA-N	-1	0	290.337	0.775	20	30		CCEDRM
C#CCN(CC(=O)[O-])C(=O)[C@H]1CC[C@@H](C(=O)OCC)C1	ZINC001573317355	958448166	/nfs/dbraw/zinc/44/81/66/958448166.db2.gz	GRORZMRDSVMGTD-WDEREUQCSA-N	-1	0	281.308	0.512	20	30		CCEDRM
C#CCN(CC(=O)[O-])C(=O)COc1cc(F)cc(F)c1	ZINC001573317936	958457714	/nfs/dbraw/zinc/45/77/14/958457714.db2.gz	PXGIGGDONQVZJF-UHFFFAOYSA-N	-1	0	283.230	0.890	20	30		CCEDRM
C=CCN(C(=O)c1cccn(CC(=O)[O-])c1=O)C(C)C	ZINC001588463276	958483433	/nfs/dbraw/zinc/48/34/33/958483433.db2.gz	JOSZRDPHMLBCEH-UHFFFAOYSA-N	-1	0	278.308	0.970	20	30		CCEDRM
C=CCN1CC[C@H](N(C)C(=O)[C@]2(C(=O)[O-])C[C@H]2C)C1=O	ZINC001588464460	958491208	/nfs/dbraw/zinc/49/12/08/958491208.db2.gz	RLJBHSSQAYIIMF-BFVZDQMLSA-N	-1	0	280.324	0.343	20	30		CCEDRM
C=CCOC[C@@H](NC(=O)C1(C(=O)[O-])CCC1)C(=O)OC	ZINC001588465243	958499559	/nfs/dbraw/zinc/49/95/59/958499559.db2.gz	SPMPKGKBUOPEOQ-SECBINFHSA-N	-1	0	285.296	0.102	20	30		CCEDRM
C=C[C@@H]1OCC[C@H]1C(=O)N[C@H]1CCC[C@H]1C(=O)[O-]	ZINC001573336616	958519572	/nfs/dbraw/zinc/51/95/72/958519572.db2.gz	DZAONDAZYHNXMQ-ZNSHCXBVSA-N	-1	0	253.298	0.947	20	30		CCEDRM
C=CCn1c([C@@H]2CCOC2)nnc1N1CC[C@@H](C(=O)[O-])C1	ZINC001588473340	958550620	/nfs/dbraw/zinc/55/06/20/958550620.db2.gz	XZMRYOYPNUHMDZ-GHMZBOCLSA-N	-1	0	292.339	0.879	20	30		CCEDRM
CC#CCN(C)C(=O)[C@H]1CO[C@@H](CCC(=O)[O-])C1	ZINC001588478539	958568238	/nfs/dbraw/zinc/56/82/38/958568238.db2.gz	FQZXSHMVKTVPNZ-MNOVXSKESA-N	-1	0	253.298	0.738	20	30		CCEDRM
CC#CC[C@@H](CO)NC(=O)/C=C\c1ccc(C(=O)[O-])o1	ZINC001588478911	958575125	/nfs/dbraw/zinc/57/51/25/958575125.db2.gz	PAPSRAYYNGXRPA-ZEBCKKTISA-N	-1	0	277.276	0.882	20	30		CCEDRM
C[C@@](C#N)(CC(=O)[O-])C(=O)NCc1ccc2nonc2c1	ZINC001573363322	958606530	/nfs/dbraw/zinc/60/65/30/958606530.db2.gz	IXIKGNWYZBENMX-ZDUSSCGKSA-N	-1	0	288.263	0.844	20	30		CCEDRM
C#CCN(C)S(=O)(=O)c1csc(C(=O)[O-])c1	ZINC000129906842	958722513	/nfs/dbraw/zinc/72/25/13/958722513.db2.gz	TVYBMDOLCAPMSD-UHFFFAOYSA-N	-1	0	259.308	0.700	20	30		CCEDRM
CC(C)(O)C1CN(C(=O)[C@](C)(C#N)CC(=O)[O-])C1	ZINC001588535891	958932700	/nfs/dbraw/zinc/93/27/00/958932700.db2.gz	RVYOMSGGBAVJPK-LBPRGKRZSA-N	-1	0	254.286	0.220	20	30		CCEDRM
C[C@@H](C#N)OC(=O)c1cccn(CC(=O)[O-])c1=O	ZINC001588543137	958975739	/nfs/dbraw/zinc/97/57/39/958975739.db2.gz	IBNGIOAJGYSYKD-ZETCQYMHSA-N	-1	0	250.210	0.002	20	30		CCEDRM
C[C@H](C(=O)N1CCC[C@@]1(C)C(=O)[O-])n1cnc(C#N)n1	ZINC001588546996	959001135	/nfs/dbraw/zinc/00/11/35/959001135.db2.gz	FBDHFBQYFDVZIG-PELKAZGASA-N	-1	0	277.284	0.176	20	30		CCEDRM
C#CC[C@@H](NC(=O)[C@@H](C)Oc1ccc(C#N)cc1)C(=O)[O-]	ZINC000149803942	959028060	/nfs/dbraw/zinc/02/80/60/959028060.db2.gz	LVYPIEAUZPEPNP-ZWNOBZJWSA-N	-1	0	286.287	0.918	20	30		CCEDRM
C#CC[C@H](NC(=O)Cc1ccccc1[N+](=O)[O-])C(=O)[O-]	ZINC000149937748	959032658	/nfs/dbraw/zinc/03/26/58/959032658.db2.gz	GZGFLHMFPYSKCS-JTQLQIEISA-N	-1	0	276.248	0.730	20	30		CCEDRM
C[C@](C#N)(CC(=O)[O-])C(=O)NCc1cc2n(n1)CCCC2	ZINC001588558239	959081328	/nfs/dbraw/zinc/08/13/28/959081328.db2.gz	PMOUCKLPSYXYQL-CQSZACIVSA-N	-1	0	290.323	0.840	20	30		CCEDRM
C[C@H](C(=O)[O-])C(=O)N1CCCc2nc(C#N)ccc21	ZINC001588566486	959150833	/nfs/dbraw/zinc/15/08/33/959150833.db2.gz	XZPYCBGFCUMDKN-QMMMGPOBSA-N	-1	0	259.265	0.953	20	30		CCEDRM
C#CC[C@H](NS(=O)(=O)c1ccc(F)c(F)c1)C(=O)[O-]	ZINC000161251164	959177857	/nfs/dbraw/zinc/17/78/57/959177857.db2.gz	FLBGHXGFENDDRA-JTQLQIEISA-N	-1	0	289.259	0.720	20	30		CCEDRM
C#CCN(CC1CC1)S(=O)(=O)CCCC(=O)[O-]	ZINC000164443339	959256113	/nfs/dbraw/zinc/25/61/13/959256113.db2.gz	BRBNFDWPGFNNBI-UHFFFAOYSA-N	-1	0	259.327	0.526	20	30		CCEDRM
Cc1nc([C@@H](C)NC(=O)[C@@](C)(C#N)CC(=O)[O-])no1	ZINC001594449978	959361810	/nfs/dbraw/zinc/36/18/10/959361810.db2.gz	VEELDMGRKOIKCF-KSBSHMNSSA-N	-1	0	266.257	0.560	20	30		CCEDRM
C[C@@](O)(CNC(=O)[C@@H](CC#N)c1ccccc1)C(=O)[O-]	ZINC001573635113	959586725	/nfs/dbraw/zinc/58/67/25/959586725.db2.gz	ZVWHBLXSNXVFED-SMDDNHRTSA-N	-1	0	276.292	0.636	20	30		CCEDRM
C[C@@]1(C#N)CN(C(=O)[C@H]2CC[C@@H](C(=O)[O-])C2)CCO1	ZINC001573645693	959639708	/nfs/dbraw/zinc/63/97/08/959639708.db2.gz	KCSUWDYSFHHDNP-OPQQBVKSSA-N	-1	0	266.297	0.628	20	30		CCEDRM
C=C(Br)CN1C[C@@H](O)C[C@H]1C(=O)[O-]	ZINC000229080866	960056884	/nfs/dbraw/zinc/05/68/84/960056884.db2.gz	XMSHXAMUCXGGDC-BQBZGAKWSA-N	-1	0	250.092	0.415	20	30		CCEDRM
C[C@@H]1[C@H](C(=O)[O-])CCN1S(=O)(=O)c1cccnc1C#N	ZINC000235285437	960405054	/nfs/dbraw/zinc/40/50/54/960405054.db2.gz	XLNQOEHIUFTISR-RKDXNWHRSA-N	-1	0	295.320	0.437	20	30		CCEDRM
C[C@@](CO)(NC(=O)c1[nH]c2ccccc2c1C#N)C(=O)[O-]	ZINC001571029434	960458326	/nfs/dbraw/zinc/45/83/26/960458326.db2.gz	MPDLKVTXGLCJSV-AWEZNQCLSA-N	-1	0	287.275	0.605	20	30		CCEDRM
N#Cc1ccc(C(=O)N[C@H](Cc2cncs2)C(=O)[O-])[nH]1	ZINC001571039458	960560035	/nfs/dbraw/zinc/56/00/35/960560035.db2.gz	YASJEFDBXYUOSG-SNVBAGLBSA-N	-1	0	290.304	0.769	20	30		CCEDRM
CC[C@@H](CC#N)NC(=O)c1cccn(CC(=O)[O-])c1=O	ZINC001573775992	960677040	/nfs/dbraw/zinc/67/70/40/960677040.db2.gz	GTNPKKPWHKKMSD-VIFPVBQESA-N	-1	0	277.280	0.355	20	30		CCEDRM
N#Cc1cc(C(=O)N[C@@H](CCC2OCCO2)C(=O)[O-])co1	ZINC001571052997	960700259	/nfs/dbraw/zinc/70/02/59/960700259.db2.gz	WPRCORCLWQRMMG-JTQLQIEISA-N	-1	0	294.263	0.487	20	30		CCEDRM
CC1SC(C(=O)N2CCC(C#N)(C(=O)[O-])CC2)=NC1=O	ZINC001571055096	960712014	/nfs/dbraw/zinc/71/20/14/960712014.db2.gz	QAMVOHIYULIIOQ-UHFFFAOYSA-N	-1	0	295.320	0.988	20	30		CCEDRM
N#CC1(C(=O)[O-])CCN(C(=O)c2ncc(Cl)cn2)CC1	ZINC001571055281	960714183	/nfs/dbraw/zinc/71/41/83/960714183.db2.gz	TYJJPXQMFJYYRR-UHFFFAOYSA-N	-1	0	294.698	0.961	20	30		CCEDRM
Cc1cc(NC(=O)[C@H]2CC(C(=O)[O-])=NO2)n(CCC#N)n1	ZINC001574337855	960913591	/nfs/dbraw/zinc/91/35/91/960913591.db2.gz	MMIHHDGCGLEXOT-SECBINFHSA-N	-1	0	291.267	0.273	20	30		CCEDRM
CC[C@]1(C(=O)[O-])CCCN(C(=O)Cn2cnc(C#N)n2)C1	ZINC001573821549	960960100	/nfs/dbraw/zinc/96/01/00/960960100.db2.gz	XWAXQWOQIKOKQY-ZDUSSCGKSA-N	-1	0	291.311	0.253	20	30		CCEDRM
CCCOC(=O)CCNC(=O)[C@@](C)(C#N)CC(=O)[O-]	ZINC001573860519	961169378	/nfs/dbraw/zinc/16/93/78/961169378.db2.gz	PVOBOLNYJLUWGV-GFCCVEGCSA-N	-1	0	270.285	0.450	20	30		CCEDRM
CC(C)[C@H](C#N)N1CCN(C(=O)[C@@H]2CC[C@@H]2C(=O)[O-])CC1	ZINC001588801802	961427527	/nfs/dbraw/zinc/42/75/27/961427527.db2.gz	IULKLONWVZVURP-AGIUHOORSA-N	-1	0	293.367	0.790	20	30		CCEDRM
Cn1cc(C#N)c(NC(=O)[C@H]2CO[C@@H](CCC(=O)[O-])C2)n1	ZINC001574449080	961463371	/nfs/dbraw/zinc/46/33/71/961463371.db2.gz	HLPZFQNKCHCBIG-SCZZXKLOSA-N	-1	0	292.295	0.500	20	30		CCEDRM
Cn1nc(C(=O)[O-])cc1C(=O)NCc1ccc(C#N)s1	ZINC001574464882	961562947	/nfs/dbraw/zinc/56/29/47/961562947.db2.gz	FBEQXHVGQFVEQD-UHFFFAOYSA-N	-1	0	290.304	0.981	20	30		CCEDRM
Cn1nc(C(=O)[O-])cc1C(=O)Nc1cccc(C#N)n1	ZINC001574466532	961571735	/nfs/dbraw/zinc/57/17/35/961571735.db2.gz	AZYMSWJUNUEONK-UHFFFAOYSA-N	-1	0	271.236	0.637	20	30		CCEDRM
N#CCc1cccc(NC(=O)c2cnc(C(=O)[O-])cn2)n1	ZINC001574479317	961649014	/nfs/dbraw/zinc/64/90/14/961649014.db2.gz	HHCWBINAQABPMX-UHFFFAOYSA-N	-1	0	283.247	0.888	20	30		CCEDRM
N#Cc1c(NC(=O)[C@H]2CC[C@H]2C(=O)[O-])nc2n1CCOC2	ZINC001574479938	961654716	/nfs/dbraw/zinc/65/47/16/961654716.db2.gz	QYWCFSJJHXBWRZ-JGVFFNPUSA-N	-1	0	290.279	0.334	20	30		CCEDRM
N#CC1(CNC(=O)[C@@H]2CC[C@H]2C(=O)[O-])CCOCC1	ZINC001574480301	961660437	/nfs/dbraw/zinc/66/04/37/961660437.db2.gz	DHSVPCFMCMRTKM-NXEZZACHSA-N	-1	0	266.297	0.534	20	30		CCEDRM
N#CCCN(CCC#N)C(=O)[C@H]1CO[C@@H](CCC(=O)[O-])C1	ZINC001574480256	961660852	/nfs/dbraw/zinc/66/08/52/961660852.db2.gz	CUVHFXGNMXPEOL-NEPJUHHUSA-N	-1	0	293.323	0.912	20	30		CCEDRM
N#CC[C@H](NC(=O)c1cnc(C(=O)[O-])cn1)C(F)(F)F	ZINC001574480651	961666304	/nfs/dbraw/zinc/66/63/04/961666304.db2.gz	OMIBLVJQTYTPRQ-ZETCQYMHSA-N	-1	0	288.185	0.749	20	30		CCEDRM
C#CC[C@H](NC(=O)c1c(C)nn(C)c1Cl)C(=O)[O-]	ZINC001573301793	962636252	/nfs/dbraw/zinc/63/62/52/962636252.db2.gz	FLAOCNMHOCHMBN-ZETCQYMHSA-N	-1	0	269.688	0.588	20	30		CCEDRM
C#CCCCC(=O)NC[C@H](NC(=O)CNC(=O)[O-])C1CC1	ZINC001573302775	962661277	/nfs/dbraw/zinc/66/12/77/962661277.db2.gz	FQZHKFLXQCMNLR-NSHDSACASA-N	-1	0	295.339	0.069	20	30		CCEDRM
C#CC[C@H](NC(=O)[C@@H](O)c1ccc(C#N)cc1)C(=O)[O-]	ZINC001573302856	962664945	/nfs/dbraw/zinc/66/49/45/962664945.db2.gz	RFXHDTBKDJXUJT-RYUDHWBXSA-N	-1	0	272.260	0.184	20	30		CCEDRM
C#C[C@@H](NC(=O)N1C[C@@H](C)[C@H](CC(=O)[O-])C1)[C@@H]1CCCO1	ZINC001573303373	962675101	/nfs/dbraw/zinc/67/51/01/962675101.db2.gz	XFENLFPOPGPUMI-LPWJVIDDSA-N	-1	0	294.351	0.919	20	30		CCEDRM
C#Cc1ccc(C(=O)NC[C@]2(C(=O)[O-])CCOC2)nc1	ZINC001573311469	962702977	/nfs/dbraw/zinc/70/29/77/962702977.db2.gz	AFQJMUFFGIQQQE-CQSZACIVSA-N	-1	0	274.276	0.284	20	30		CCEDRM
C#Cc1ccc(C(=O)Nc2[nH]cnc2C(=O)[O-])cn1	ZINC001573312614	962724696	/nfs/dbraw/zinc/72/46/96/962724696.db2.gz	XLLKMIJGPGLUOM-UHFFFAOYSA-N	-1	0	256.221	0.737	20	30		CCEDRM
C#Cc1cncc(C(=O)N[C@H](Cc2ccncc2)C(=O)[O-])c1	ZINC001573313664	962735216	/nfs/dbraw/zinc/73/52/16/962735216.db2.gz	OJBLCJPYWRSKDW-CQSZACIVSA-N	-1	0	295.298	0.884	20	30		CCEDRM
C=C(C)C[C@@H](NS(=O)(=O)Cc1noc(C)n1)C(=O)[O-]	ZINC001573324377	962782998	/nfs/dbraw/zinc/78/29/98/962782998.db2.gz	RDQGETSIBKRNNW-MRVPVSSYSA-N	-1	0	289.313	0.217	20	30		CCEDRM
C=C(C)C[C@@H](NC(C)=O)C(=O)N[C@H]1CC[C@@H](C(=O)[O-])C1	ZINC001573327142	962807364	/nfs/dbraw/zinc/80/73/64/962807364.db2.gz	GBNQWDJMKVBTQQ-GRYCIOLGSA-N	-1	0	282.340	0.827	20	30		CCEDRM
C=C(CCC(=O)[O-])C(=O)NCCCc1cnn(C)c1	ZINC001573332137	962825963	/nfs/dbraw/zinc/82/59/63/962825963.db2.gz	DVLPOKJQPRZALD-UHFFFAOYSA-N	-1	0	265.313	0.890	20	30		CCEDRM
C=C(Cl)CN1CC[C@@H]2CN(C(=O)CNC(=O)[O-])[C@@H]2C1	ZINC001573343466	962904022	/nfs/dbraw/zinc/90/40/22/962904022.db2.gz	FEJFAAFOUZRUDW-NXEZZACHSA-N	-1	0	287.747	0.539	20	30		CCEDRM
C=C1CC(C)(C(=O)NC[C@H](C)NC(=O)CNC(=O)[O-])C1	ZINC001573343695	962907279	/nfs/dbraw/zinc/90/72/79/962907279.db2.gz	IRAGEGCHQJHRQG-VIFPVBQESA-N	-1	0	283.328	0.231	20	30		CCEDRM
C=C[C@](C)(CC)C(=O)N(C)[C@@H](C)CNC(=O)CNC(=O)[O-]	ZINC001573347070	962945938	/nfs/dbraw/zinc/94/59/38/962945938.db2.gz	IQDKOYBTYFDHCF-IINYFYTJSA-N	-1	0	299.371	0.819	20	30		CCEDRM
C=C[C@](C)(O)CC(=O)N[C@@](C)(COC)CC(=O)[O-]	ZINC001573347814	962952388	/nfs/dbraw/zinc/95/23/88/962952388.db2.gz	ONIRPCBSRUVOET-NEPJUHHUSA-N	-1	0	259.302	0.310	20	30		CCEDRM
C=CCCC(=O)N[C@@H](C)CNc1ccnc(C(=O)[O-])n1	ZINC001573352758	962991383	/nfs/dbraw/zinc/99/13/83/962991383.db2.gz	JKBYZEOLZMKTFW-VIFPVBQESA-N	-1	0	278.312	0.480	20	30		CCEDRM
C[C@H](C(=O)NC(C)(C)CC(=O)[O-])n1cnc(C#N)n1	ZINC001573363732	963048103	/nfs/dbraw/zinc/04/81/03/963048103.db2.gz	MISALIWZCWJAMP-SSDOTTSWSA-N	-1	0	265.273	0.080	20	30		CCEDRM
C=CCOC[C@@H](NC(=O)[C@H]1CC[C@@H](C(=O)OC)C1)C(=O)[O-]	ZINC001573368365	963078707	/nfs/dbraw/zinc/07/87/07/963078707.db2.gz	CPYLJZQVGYHYPM-HBNTYKKESA-N	-1	0	299.323	0.348	20	30		CCEDRM
C=CCOC[C@H](NC(=O)[C@H]1CC[C@@H](C(=O)[O-])C1)C(=O)OC	ZINC001573369582	963100266	/nfs/dbraw/zinc/10/02/66/963100266.db2.gz	WHTZXUVQSVAZQR-AXFHLTTASA-N	-1	0	299.323	0.348	20	30		CCEDRM
N#C[C@H]1CC[C@@H](NC(=O)N2CCO[C@@H](C(=O)[O-])C2)C1	ZINC001570989861	963143387	/nfs/dbraw/zinc/14/33/87/963143387.db2.gz	LEROBEMOLYTQMN-IVZWLZJFSA-N	-1	0	267.285	0.174	20	30		CCEDRM
N#Cc1cc(C(=O)NC[C@H](C(=O)[O-])[C@@H]2CCOC2)co1	ZINC001571007998	963255005	/nfs/dbraw/zinc/25/50/05/963255005.db2.gz	CHFNMWXTFVLDDL-KCJUWKMLSA-N	-1	0	278.264	0.618	20	30		CCEDRM
C#Cc1cncc(C(=O)Nc2ccn(CC(=O)[O-])n2)c1	ZINC001588438993	964026862	/nfs/dbraw/zinc/02/68/62/964026862.db2.gz	BYIFEBQIWZBOQB-UHFFFAOYSA-N	-1	0	270.248	0.596	20	30		CCEDRM
C#CCCCCNC(=O)C(=O)NC1CC(CC(=O)[O-])C1	ZINC001588441406	964050497	/nfs/dbraw/zinc/05/04/97/964050497.db2.gz	GTFKFMYHRPYEOU-UHFFFAOYSA-N	-1	0	280.324	0.276	20	30		CCEDRM
C=C(C)C[C@@H](CO)NC(=O)[C@H]1CC[C@@H](C(=O)[O-])C1	ZINC001588441689	964053004	/nfs/dbraw/zinc/05/30/04/964053004.db2.gz	KLMQGUGYZWKYLF-AXFHLTTASA-N	-1	0	255.314	0.931	20	30		CCEDRM
C#CCCN(CCOC)C(=O)Nc1c(C(=O)[O-])cnn1C	ZINC001588447372	964085927	/nfs/dbraw/zinc/08/59/27/964085927.db2.gz	HYMRDAZYOHZKLB-UHFFFAOYSA-N	-1	0	294.311	0.622	20	30		CCEDRM
C#CCN(CC(=O)[O-])C(=O)NC[C@@H]1CSCCS1	ZINC000229631359	967719949	/nfs/dbraw/zinc/71/99/49/967719949.db2.gz	HQDYBOLQPRYQHY-SECBINFHSA-N	-1	0	288.394	0.564	20	30		CCEDRM
CC1(C)C[C@]1(C(=O)[O-])C(=O)NC[C@H]1CCCN(CC#N)C1	ZINC001603321783	972645334	/nfs/dbraw/zinc/64/53/34/972645334.db2.gz	YTJCPQDXSNPBNA-IAQYHMDHSA-N	-1	0	293.367	0.839	20	30		CCEDRM
C[C@H](NC(=O)[C@@](C)(C#N)CC(=O)[O-])c1cnccn1	ZINC001605041045	972650487	/nfs/dbraw/zinc/65/04/87/972650487.db2.gz	KNAGVSCNYLJXSO-QPUJVOFHSA-N	-1	0	262.269	0.658	20	30		CCEDRM
CO[C@@](C)(C(=O)[O-])C(=O)Oc1cccc(OCC#N)c1	ZINC001604473073	973363423	/nfs/dbraw/zinc/36/34/23/973363423.db2.gz	QLXOFJSMHVFWAY-ZDUSSCGKSA-N	-1	0	279.248	0.984	20	30		CCEDRM
C[C@@H]1OCC[C@]12CN(C(=O)[C@@](C)(C#N)CC(=O)[O-])CCO2	ZINC001603479891	973379863	/nfs/dbraw/zinc/37/98/63/973379863.db2.gz	KOEVKCIHMJDCJH-GDLCADMTSA-N	-1	0	296.323	0.397	20	30		CCEDRM
Cc1nccc(COC(=O)[C@](C)(C#N)CC(=O)[O-])n1	ZINC001605425041	973459079	/nfs/dbraw/zinc/45/90/79/973459079.db2.gz	QKKOAWJHXHGXTC-LBPRGKRZSA-N	-1	0	263.253	0.833	20	30		CCEDRM
CC[C@@H](C(=O)[O-])N(C)CC(=O)N[C@](C)(C#N)C(C)C	ZINC001603498744	973462848	/nfs/dbraw/zinc/46/28/48/973462848.db2.gz	XNJBLIPKFMEVJN-GXFFZTMASA-N	-1	0	269.345	0.836	20	30		CCEDRM
Cc1nnc2n1CCN(C(=O)[C@](C)(C#N)CC(=O)[O-])[C@H]2C	ZINC001605444456	973507622	/nfs/dbraw/zinc/50/76/22/973507622.db2.gz	IICCZVQOXFEJHM-SDBXPKJASA-N	-1	0	291.311	0.494	20	30		CCEDRM
Cc1cc(N2C[C@H](C(=O)[O-])C[C@H](O)C2)c(C#N)cn1	ZINC000401906566	973516380	/nfs/dbraw/zinc/51/63/80/973516380.db2.gz	HVBIKBRMKUPBNC-KOLCDFICSA-N	-1	0	261.281	0.534	20	30		CCEDRM
Cc1nsc(NC(=O)N[C@]2(C(=O)[O-])CCOC2)c1C#N	ZINC001605455202	973541981	/nfs/dbraw/zinc/54/19/81/973541981.db2.gz	AOHUZXFDLNFITA-LLVKDONJSA-N	-1	0	296.308	0.688	20	30		CCEDRM
C=CCCCNC(=O)N1C[C@H](O)C[C@H](C(=O)[O-])C1	ZINC000401959779	973564266	/nfs/dbraw/zinc/56/42/66/973564266.db2.gz	UNZGPQPCUAUUNU-VHSXEESVSA-N	-1	0	256.302	0.430	20	30		CCEDRM
COC[C@]1(C(=O)[O-])CN(c2ncc(C#N)cc2F)CCO1	ZINC001604564191	973622905	/nfs/dbraw/zinc/62/29/05/973622905.db2.gz	HKRKOAGECNGILM-ZDUSSCGKSA-N	-1	0	295.270	0.399	20	30		CCEDRM
Cn1ccnc1[C@H](C#N)C(=O)[C@H]1CO[C@@H](CCC(=O)[O-])C1	ZINC001605511303	973685999	/nfs/dbraw/zinc/68/59/99/973685999.db2.gz	GIEURGBPQKYVKZ-OUAUKWLOSA-N	-1	0	291.307	0.866	20	30		CCEDRM
Cn1nccc1[C@H](NCc1ccc(C#N)cn1)C(=O)[O-]	ZINC001605568180	973816496	/nfs/dbraw/zinc/81/64/96/973816496.db2.gz	MJHUSEZVSFZLDL-LBPRGKRZSA-N	-1	0	271.280	0.602	20	30		CCEDRM
N#CC1(CNC(=O)[C@@]2(C(=O)[O-])CCCO2)CCC1	ZINC001605575989	973843826	/nfs/dbraw/zinc/84/38/26/973843826.db2.gz	HFIZBKJBSRDUPE-GFCCVEGCSA-N	-1	0	252.270	0.430	20	30		CCEDRM
N#CCN1CCC(NC(=O)C2(CC(=O)[O-])CCC2)CC1	ZINC001605585606	973877938	/nfs/dbraw/zinc/87/79/38/973877938.db2.gz	GTJPWFLXUHNLDP-UHFFFAOYSA-N	-1	0	279.340	0.736	20	30		CCEDRM
N#CCCOCCOC(=O)c1ncccc1C(=O)[O-]	ZINC001605585916	973879237	/nfs/dbraw/zinc/87/92/37/973879237.db2.gz	LYABIVXGEJXGGJ-UHFFFAOYSA-N	-1	0	264.237	0.867	20	30		CCEDRM
N#Cc1c[nH]c(C(=O)NCC2(C(=O)[O-])CCOCC2)c1	ZINC001605590433	973883347	/nfs/dbraw/zinc/88/33/47/973883347.db2.gz	DZENTDSDSXNGRE-UHFFFAOYSA-N	-1	0	277.280	0.498	20	30		CCEDRM
N#Cc1c2ccccc2[nH]c1C(=O)N1CCO[C@H](C(=O)[O-])C1	ZINC001605590957	973885998	/nfs/dbraw/zinc/88/59/98/973885998.db2.gz	PGXTYWDNMZJNFD-LBPRGKRZSA-N	-1	0	299.286	0.965	20	30		CCEDRM
N#Cc1ccc(C(=O)NCCOCC(=O)[O-])s1	ZINC001605597144	973895070	/nfs/dbraw/zinc/89/50/70/973895070.db2.gz	BELZRVGDPDGFLF-UHFFFAOYSA-N	-1	0	254.267	0.451	20	30		CCEDRM
N#Cc1ccc(C(=O)N2CCC[C@H]2C(=O)[O-])cc1O	ZINC001605597480	973898946	/nfs/dbraw/zinc/89/89/46/973898946.db2.gz	UMKVOYPURKSZMI-JTQLQIEISA-N	-1	0	260.249	0.953	20	30		CCEDRM
N#Cc1ccc(C2(C(=O)NCCOCC(=O)[O-])CC2)cc1	ZINC001605601769	973907851	/nfs/dbraw/zinc/90/78/51/973907851.db2.gz	BVTHUIFLCLYORB-UHFFFAOYSA-N	-1	0	288.303	0.807	20	30		CCEDRM
N#Cc1cccc(CON2C[C@@H](C(=O)[O-])CC2=O)c1	ZINC001605617530	973934256	/nfs/dbraw/zinc/93/42/56/973934256.db2.gz	KIQQRTYTVDOZFK-NSHDSACASA-N	-1	0	260.249	0.923	20	30		CCEDRM
N#Cc1cccc2c1CCN2C(=O)c1cn(CC(=O)[O-])nn1	ZINC001605619942	973941018	/nfs/dbraw/zinc/94/10/18/973941018.db2.gz	MOMBJKZXZHOFKN-UHFFFAOYSA-N	-1	0	297.274	0.437	20	30		CCEDRM
N#Cc1cnnc(N[C@@H]2CCCCN(CC(=O)[O-])C2=O)c1	ZINC001605625942	973950024	/nfs/dbraw/zinc/95/00/24/973950024.db2.gz	DAOXZSVYYPJCER-SNVBAGLBSA-N	-1	0	289.295	0.226	20	30		CCEDRM
N#CC1(CS(=O)(=O)N2CCSC[C@H]2C(=O)[O-])CC1	ZINC000417449728	973953197	/nfs/dbraw/zinc/95/31/97/973953197.db2.gz	AJJTUAJDOOYNSK-QMMMGPOBSA-N	-1	0	290.366	0.122	20	30		CCEDRM
COc1ccc(NC(=O)NC[C@@](C)(O)C(=O)[O-])cc1C#N	ZINC001604820755	974057202	/nfs/dbraw/zinc/05/72/02/974057202.db2.gz	RGSMMTCROXZJIV-CYBMUJFWSA-N	-1	0	293.279	0.524	20	30		CCEDRM
CC(C)[C@H](NC(=O)CN([C@@H](C)C#N)C1CC1)C(=O)[O-]	ZINC001591866343	976169387	/nfs/dbraw/zinc/16/93/87/976169387.db2.gz	GFMNZTQXJCRYEV-CABZTGNLSA-N	-1	0	267.329	0.588	20	30		CCEDRM
C[C@@H](CC#N)C(=O)O[C@H]1CCN(CCC(=O)[O-])C1=O	ZINC001592221635	977401635	/nfs/dbraw/zinc/40/16/35/977401635.db2.gz	LLCMNEQJJXZBAC-IUCAKERBSA-N	-1	0	268.269	0.155	20	30		CCEDRM
C[C@@H](CC#N)NC(=O)Nc1ccn(CC(=O)[O-])n1	ZINC001592222159	977405247	/nfs/dbraw/zinc/40/52/47/977405247.db2.gz	RXKZHFOCZPDSDM-ZETCQYMHSA-N	-1	0	251.246	0.391	20	30		CCEDRM
C[C@@H](CC#N)N(C)C(=O)[C@H]1C[C@@H](C)[C@H](C(=O)[O-])O1	ZINC001592222184	977406394	/nfs/dbraw/zinc/40/63/94/977406394.db2.gz	SQJUOOIREDSCHJ-UTINFBMNSA-N	-1	0	254.286	0.625	20	30		CCEDRM
C[C@H](CC(=O)[O-])CC(=O)N[C@](C)(C#N)CN(C)C	ZINC001592375693	977912058	/nfs/dbraw/zinc/91/20/58/977912058.db2.gz	SJMSFYZELOUCMB-JOYOIKCWSA-N	-1	0	255.318	0.447	20	30		CCEDRM
C[C@H](CN(C)C(=O)[C@@H](O)c1ccc(C#N)cc1)C(=O)[O-]	ZINC001592570032	978466551	/nfs/dbraw/zinc/46/65/51/978466551.db2.gz	VDTUPWQNGVJYHJ-SKDRFNHKSA-N	-1	0	276.292	0.771	20	30		CCEDRM
CC[C@H](CC#N)NC(=O)C(=O)Nc1cccc(C(=O)[O-])n1	ZINC001595029522	979158463	/nfs/dbraw/zinc/15/84/63/979158463.db2.gz	CBZPPLXPWAFLLV-MRVPVSSYSA-N	-1	0	290.279	0.527	20	30		CCEDRM
CC[C@H](CC#N)NC(=O)COCc1ocnc1C(=O)[O-]	ZINC001595030525	979168175	/nfs/dbraw/zinc/16/81/75/979168175.db2.gz	QUQVQIMZKQXFLW-MRVPVSSYSA-N	-1	0	281.268	0.698	20	30		CCEDRM
C[C@H](Cc1ccc(C#N)cc1)C(=O)NCC[C@H](O)C(=O)[O-]	ZINC001592834902	979581268	/nfs/dbraw/zinc/58/12/68/979581268.db2.gz	ZRIAZEUBJSXSEH-MFKMUULPSA-N	-1	0	290.319	0.689	20	30		CCEDRM
CC[C@@H](C(=O)[O-])C(=O)N1CCN(C2CC2)[C@H](C#N)C1	ZINC001594745932	981634101	/nfs/dbraw/zinc/63/41/01/981634101.db2.gz	YZRBDSWKWDFVGF-GHMZBOCLSA-N	-1	0	265.313	0.296	20	30		CCEDRM
CCCCOC(=O)Cn1cc(C(=O)[O-])cc(C#N)c1=O	ZINC001595763809	982475406	/nfs/dbraw/zinc/47/54/06/982475406.db2.gz	CPUNPVHTHDQJPO-UHFFFAOYSA-N	-1	0	278.264	0.761	20	30		CCEDRM
Cn1cc(NC(=O)N2CC[C@@](O)(CC#N)C2)cc1C(=O)[O-]	ZINC001574213782	983195461	/nfs/dbraw/zinc/19/54/61/983195461.db2.gz	USGFTUUTUULJQJ-ZDUSSCGKSA-N	-1	0	292.295	0.606	20	30		CCEDRM
N#Cc1c[nH]c(C(=O)N[C@H](C[C@H]2CCCO2)C(=O)[O-])c1	ZINC001574242011	983200181	/nfs/dbraw/zinc/20/01/81/983200181.db2.gz	UBHLJNZCTAVSCJ-MWLCHTKSSA-N	-1	0	277.280	0.638	20	30		CCEDRM
C#C[C@@H](C)NC(=O)C(=O)Nc1cccc(F)c1C(=O)[O-]	ZINC001588368976	983309842	/nfs/dbraw/zinc/30/98/42/983309842.db2.gz	XIFPJNNNBWTVIU-SSDOTTSWSA-N	-1	0	278.239	0.600	20	30		CCEDRM
C#C[C@H](CO)NC(=O)Nc1ccc(OCCC(=O)[O-])cc1	ZINC001588370548	983320377	/nfs/dbraw/zinc/32/03/77/983320377.db2.gz	GYPIIGDCPHEZJA-SNVBAGLBSA-N	-1	0	292.291	0.656	20	30		CCEDRM
C#C[C@H](NC(=O)NC1CC(CC(=O)[O-])C1)[C@@H]1CCCO1	ZINC001588372189	983328579	/nfs/dbraw/zinc/32/85/79/983328579.db2.gz	FHOBMGBCSYRYPL-QQFIATSDSA-N	-1	0	280.324	0.720	20	30		CCEDRM
C#C[C@H](NC(=O)NC[C@@H](CC(=O)[O-])C1CC1)[C@@H]1CCCO1	ZINC001588372278	983329213	/nfs/dbraw/zinc/32/92/13/983329213.db2.gz	HJFLJWUIMIPTPS-AGIUHOORSA-N	-1	0	294.351	0.967	20	30		CCEDRM
C#C[C@H](NS(=O)(=O)CC(C)(C)C(=O)[O-])[C@H]1CCCO1	ZINC001588377242	983355903	/nfs/dbraw/zinc/35/59/03/983355903.db2.gz	JYTQJYOLBQIMIG-VHSXEESVSA-N	-1	0	289.353	0.197	20	30		CCEDRM
C#C[C@H](N[C@@H](C(=O)[O-])C1(OC)CCC1)[C@@H]1CCCO1	ZINC001588377270	983356477	/nfs/dbraw/zinc/35/64/77/983356477.db2.gz	KHRHKGSGBGHCGM-SRVKXCTJSA-N	-1	0	267.325	0.779	20	30		CCEDRM
C#CC1(O)CCN(C(=O)N[C@@H]2CCC[C@H]2CC(=O)[O-])CC1	ZINC001588379552	983364806	/nfs/dbraw/zinc/36/48/06/983364806.db2.gz	KZOXCMSOMUJYNT-NWDGAFQWSA-N	-1	0	294.351	0.800	20	30		CCEDRM
C#CC1(O)CN(CCOc2ccccc2C(=O)[O-])C1	ZINC001588381829	983367437	/nfs/dbraw/zinc/36/74/37/983367437.db2.gz	BGWJLWQQCYDOSP-UHFFFAOYSA-N	-1	0	261.277	0.444	20	30		CCEDRM
C#C[C@H]1CCCN(c2nnnn2[C@@H]2CC=C(C(=O)[O-])C2)C1	ZINC001588382966	983375979	/nfs/dbraw/zinc/37/59/79/983375979.db2.gz	LPCBFMWCLKKFET-CMPLNLGQSA-N	-1	0	287.323	0.869	20	30		CCEDRM
C#C[C@H]1COCCN1C(=O)c1oc(C(=O)[O-])cc1C	ZINC001588383832	983384696	/nfs/dbraw/zinc/38/46/96/983384696.db2.gz	MENIPRKDOZOFCA-VIFPVBQESA-N	-1	0	263.249	0.760	20	30		CCEDRM
C#C[C@H]1COCCN1C(=O)Nc1cccc(C(=O)[O-])n1	ZINC001588383967	983385864	/nfs/dbraw/zinc/38/58/64/983385864.db2.gz	QRAMEFFIZSNONV-VIFPVBQESA-N	-1	0	275.264	0.646	20	30		CCEDRM
C#C[C@@H]1COCCN1C[C@H]1CC(C(=O)[O-])=C(C)O1	ZINC001588384205	983387611	/nfs/dbraw/zinc/38/76/11/983387611.db2.gz	YYAZWNSLLMNIJH-GHMZBOCLSA-N	-1	0	251.282	0.468	20	30		CCEDRM
C#CCC(C)(C)COC(=O)CN1CCC[C@@H](C(=O)[O-])C1=O	ZINC001588390543	983394910	/nfs/dbraw/zinc/39/49/10/983394910.db2.gz	XKNYTOVGORKIGZ-LLVKDONJSA-N	-1	0	295.335	0.902	20	30		CCEDRM
C#CC[C@H](CCOC)NC(=O)c1ccc(C(=O)[O-])[nH]1	ZINC001588393200	983396859	/nfs/dbraw/zinc/39/68/59/983396859.db2.gz	CUVRJMGDAHPLOZ-SECBINFHSA-N	-1	0	264.281	0.871	20	30		CCEDRM
C#CC[C@@H](COC)NC(=O)Nc1cccc(CC(=O)[O-])n1	ZINC001588393681	983399862	/nfs/dbraw/zinc/39/98/62/983399862.db2.gz	FIMFUVFCYLVGSQ-NSHDSACASA-N	-1	0	291.307	0.869	20	30		CCEDRM
C#CC[C@H](CO)NC(=O)Nc1ccc(C(=O)[O-])c(OC)c1	ZINC001588393828	983400263	/nfs/dbraw/zinc/40/02/63/983400263.db2.gz	KNFZMMFAFOMWNF-SNVBAGLBSA-N	-1	0	292.291	0.899	20	30		CCEDRM
C#CC[C@@H](CO)NC(=O)c1cc(F)cc(C(=O)[O-])c1	ZINC001588394099	983401827	/nfs/dbraw/zinc/40/18/27/983401827.db2.gz	MNIVFPRAOQBITO-NSHDSACASA-N	-1	0	265.240	0.638	20	30		CCEDRM
C#CC[C@H](NC(=O)/C=C/c1cncc(C)c1)C(=O)[O-]	ZINC001588405910	983423292	/nfs/dbraw/zinc/42/32/92/983423292.db2.gz	KHBTZBNEJVWWKW-FYJFLYSWSA-N	-1	0	258.277	0.996	20	30		CCEDRM
C#CC[C@H](NC(=O)CCCc1nc(C)no1)C(=O)[O-]	ZINC001588406271	983425075	/nfs/dbraw/zinc/42/50/75/983425075.db2.gz	ZYOOHSMAIAMIDO-VIFPVBQESA-N	-1	0	265.269	0.293	20	30		CCEDRM
C#CC[C@@H](NC(=O)Cc1sc(C)nc1C)C(=O)[O-]	ZINC001588407628	983428667	/nfs/dbraw/zinc/42/86/67/983428667.db2.gz	LJRDLFMNYOQPBG-SECBINFHSA-N	-1	0	266.322	0.895	20	30		CCEDRM
C#CC[C@@H](NC(=O)c1cc(F)cc2nccnc21)C(=O)[O-]	ZINC001588414113	983433238	/nfs/dbraw/zinc/43/32/38/983433238.db2.gz	OGZJHQOHGHSFRO-SNVBAGLBSA-N	-1	0	287.250	0.975	20	30		CCEDRM
C#CC[C@@H](NC(=O)c1c(F)ccnc1F)C(=O)[O-]	ZINC001588414608	983434586	/nfs/dbraw/zinc/43/45/86/983434586.db2.gz	XBQOWEFXKNTKGF-SSDOTTSWSA-N	-1	0	254.192	0.566	20	30		CCEDRM
C#CC[C@@H](NC(=O)c1cccc2[nH]c(CO)nc21)C(=O)[O-]	ZINC001588416545	983437213	/nfs/dbraw/zinc/43/72/13/983437213.db2.gz	PLMFVLRRDOVKBT-SNVBAGLBSA-N	-1	0	287.275	0.262	20	30		CCEDRM
C#CC[C@H](NC(=O)c1ccccc1CC#N)C(=O)[O-]	ZINC001588416987	983437995	/nfs/dbraw/zinc/43/79/95/983437995.db2.gz	TYVKNUBBFQTBEL-LBPRGKRZSA-N	-1	0	256.261	0.959	20	30		CCEDRM
C#CC[C@H](NC(=O)c1nc2cnccc2s1)C(=O)[O-]	ZINC001588422215	983445054	/nfs/dbraw/zinc/44/50/54/983445054.db2.gz	UPQPXBMBXZOKRT-ZETCQYMHSA-N	-1	0	275.289	0.898	20	30		CCEDRM
C#CC[C@H](OC(=O)Cn1ccc(C(=O)[O-])n1)C1CC1	ZINC001588428167	983460207	/nfs/dbraw/zinc/46/02/07/983460207.db2.gz	DTWUORMSLLGEKZ-NSHDSACASA-N	-1	0	262.265	0.926	20	30		CCEDRM
C#CCCNS(=O)(=O)c1ccc(OC)cc1C(=O)[O-]	ZINC001588453634	983476469	/nfs/dbraw/zinc/47/64/69/983476469.db2.gz	IYYJRHPQFDZQKU-UHFFFAOYSA-N	-1	0	283.305	0.695	20	30		CCEDRM
C#CCCS(=O)(=O)N[C@H](CCCC=C)C(=O)[O-]	ZINC001588458542	983483122	/nfs/dbraw/zinc/48/31/22/983483122.db2.gz	OMAPYAVQNPKUCF-SNVBAGLBSA-N	-1	0	259.327	0.739	20	30		CCEDRM
C#CCN(C)C(=O)C(=O)Nc1cccc(OCC(=O)[O-])c1	ZINC001588461169	983489050	/nfs/dbraw/zinc/48/90/50/983489050.db2.gz	GJQYULQNQVCPHF-UHFFFAOYSA-N	-1	0	290.275	0.180	20	30		CCEDRM
C#CCN(CC#C)[C@H]1CCCN(CCC(=O)[O-])C1=O	ZINC001588464981	983495330	/nfs/dbraw/zinc/49/53/30/983495330.db2.gz	ZIYXSSUUBOFJKO-LBPRGKRZSA-N	-1	0	262.309	0.021	20	30		CCEDRM
C#CCN1CCN(C(=O)CSCC(C)(C)C(=O)[O-])CC1	ZINC001588476406	983511143	/nfs/dbraw/zinc/51/11/43/983511143.db2.gz	BBVUVCYICJULPV-UHFFFAOYSA-N	-1	0	298.408	0.608	20	30		CCEDRM
C#CCOCCN(C)CC(=O)NC1(C(=O)[O-])CCCCC1	ZINC001588489529	983527964	/nfs/dbraw/zinc/52/79/64/983527964.db2.gz	BZFPPMHXZSALMD-UHFFFAOYSA-N	-1	0	296.367	0.472	20	30		CCEDRM
C#CCOCCC(=O)NCc1cc(C)c(C(=O)[O-])o1	ZINC001588490301	983531643	/nfs/dbraw/zinc/53/16/43/983531643.db2.gz	XVABKIKXGAPSFI-UHFFFAOYSA-N	-1	0	265.265	0.942	20	30		CCEDRM
C#CCOCCC(=O)O[C@H]1CCCN(CCC(=O)[O-])C1=O	ZINC001588490296	983531784	/nfs/dbraw/zinc/53/17/84/983531784.db2.gz	XFRJFSSBEAQWOZ-NSHDSACASA-N	-1	0	297.307	0.035	20	30		CCEDRM
C#CCOCCC(=O)O[C@@H]1CCCN(CCC(=O)[O-])C1=O	ZINC001588490290	983531786	/nfs/dbraw/zinc/53/17/86/983531786.db2.gz	XFRJFSSBEAQWOZ-LLVKDONJSA-N	-1	0	297.307	0.035	20	30		CCEDRM
C#CCOCCNC(=O)N1CC[C@@H](C(=O)[O-])[C@@H]1C	ZINC001588491170	983535374	/nfs/dbraw/zinc/53/53/74/983535374.db2.gz	GOQGZIPROKFSNV-VHSXEESVSA-N	-1	0	254.286	0.141	20	30		CCEDRM
C#CCn1cc(CNC(=O)c2csc(C(=O)[O-])n2)cn1	ZINC001588509401	983552491	/nfs/dbraw/zinc/55/24/91/983552491.db2.gz	CCHKBYIKYWGQFW-UHFFFAOYSA-N	-1	0	290.304	0.601	20	30		CCEDRM
C#Cc1ccc(C(=O)N[C@H](CCC(=O)OC)C(=O)[O-])cc1	ZINC001588516561	983561145	/nfs/dbraw/zinc/56/11/45/983561145.db2.gz	PFEGARBJVRZUIV-GFCCVEGCSA-N	-1	0	289.287	0.804	20	30		CCEDRM
C#Cc1ccc(CNS(=O)(=O)CCCC(=O)[O-])cc1	ZINC001588517595	983565763	/nfs/dbraw/zinc/56/57/63/983565763.db2.gz	WSQRWKQRQXWJGU-UHFFFAOYSA-N	-1	0	281.333	0.952	20	30		CCEDRM
C=C(C)[C@H]1OCC[C@@H]1CNC(=O)N1C[C@H]2[C@H](C(=O)[O-])[C@H]2C1	ZINC001588535110	983587907	/nfs/dbraw/zinc/58/79/07/983587907.db2.gz	KWENAUALWYEGFE-NAWOPXAZSA-N	-1	0	294.351	0.940	20	30		CCEDRM
C=C(C)C[C@H](CO)NC(=O)Cn1ccc(C(=O)[O-])n1	ZINC001588535527	983589549	/nfs/dbraw/zinc/58/95/49/983589549.db2.gz	IXPNUKXYCWQAIK-SECBINFHSA-N	-1	0	267.285	0.025	20	30		CCEDRM
C=C(C)C[C@@H](C)C(=O)OCC(=O)NCCC(=O)[O-]	ZINC001588535675	983590423	/nfs/dbraw/zinc/59/04/23/983590423.db2.gz	KIQOHSJHQOOLMI-SECBINFHSA-N	-1	0	257.286	0.723	20	30		CCEDRM
C=C(C)C[C@H](NC(=O)c1cnc(N)c([N+](=O)[O-])c1)C(=O)[O-]	ZINC001588547344	983619600	/nfs/dbraw/zinc/61/96/00/983619600.db2.gz	AFVYJWNGYOQVKF-QMMMGPOBSA-N	-1	0	294.267	0.721	20	30		CCEDRM
C=C(C)C[C@@H](NC(=O)c1cnc(C(=O)[O-])cn1)C(=O)OC	ZINC001588547932	983622383	/nfs/dbraw/zinc/62/23/83/983622383.db2.gz	JDKDWKKLVZPDPR-MRVPVSSYSA-N	-1	0	293.279	0.412	20	30		CCEDRM
C=C(C)C[C@@H](NC(=O)c1ns[nH]c1=O)C(=O)[O-]	ZINC001588548609	983624540	/nfs/dbraw/zinc/62/45/40/983624540.db2.gz	VQPOXHQUUHHPJH-RXMQYKEDSA-N	-1	0	257.271	0.393	20	30		CCEDRM
CCN(C[C@@H](C)C#N)Cn1nc(C(=O)OC)cc1C(=O)[O-]	ZINC001596231098	983625770	/nfs/dbraw/zinc/62/57/70/983625770.db2.gz	GVCKKHSOGGEMOL-VIFPVBQESA-N	-1	0	294.311	0.807	20	30		CCEDRM
CCN(C[C@H](C)C#N)S(=O)(=O)NC1(CC(=O)[O-])CC1	ZINC001596231559	983626852	/nfs/dbraw/zinc/62/68/52/983626852.db2.gz	PWCSLAZPZYMICW-SECBINFHSA-N	-1	0	289.357	0.310	20	30		CCEDRM
C=C(C)C[C@@H](NS(=O)(=O)C1(COC)CCC1)C(=O)[O-]	ZINC001588553940	983629352	/nfs/dbraw/zinc/62/93/52/983629352.db2.gz	VSFRWSPGXVIUBX-SNVBAGLBSA-N	-1	0	291.369	0.894	20	30		CCEDRM
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CC[C@](OC)(C(=O)[O-])C1	ZINC001588599185	983688588	/nfs/dbraw/zinc/68/85/88/983688588.db2.gz	HYRBIEGXEZDTMR-COPLHBTASA-N	-1	0	283.324	0.670	20	30		CCEDRM
C=C(CC)CNC(=O)C(=O)N1CCC(CC(=O)[O-])CC1	ZINC001588605422	983692777	/nfs/dbraw/zinc/69/27/77/983692777.db2.gz	FDNOWFHQECTOOI-UHFFFAOYSA-N	-1	0	282.340	0.782	20	30		CCEDRM
C=C(CCC(=O)[O-])C(=O)N1CCN(Cc2ccno2)CC1	ZINC001588615037	983709722	/nfs/dbraw/zinc/70/97/22/983709722.db2.gz	IDGGBHFIZJACOB-UHFFFAOYSA-N	-1	0	293.323	0.740	20	30		CCEDRM
C=C(CCC(=O)[O-])C(=O)N1CCN([C@@H]2CCOC2)CC1	ZINC001588615035	983709847	/nfs/dbraw/zinc/70/98/47/983709847.db2.gz	IBZVIJQHRWFDBB-GFCCVEGCSA-N	-1	0	282.340	0.341	20	30		CCEDRM
C=C(CCC(=O)[O-])C(=O)N1CCNC(=O)[C@H]1C(C)C	ZINC001588615534	983712674	/nfs/dbraw/zinc/71/26/74/983712674.db2.gz	XQFRAIUEBVHPCL-LLVKDONJSA-N	-1	0	268.313	0.390	20	30		CCEDRM
C=C(CCC(=O)[O-])C(=O)N1CCOC[C@H]1c1noc(C)n1	ZINC001588619284	983715963	/nfs/dbraw/zinc/71/59/63/983715963.db2.gz	PVDBCHBWYXLHTR-JTQLQIEISA-N	-1	0	295.295	0.699	20	30		CCEDRM
C=C(CCC(=O)[O-])C(=O)N[C@@H](C(N)=O)c1ccccn1	ZINC001588619514	983717125	/nfs/dbraw/zinc/71/71/25/983717125.db2.gz	WLLTYZSBSVLKBW-LLVKDONJSA-N	-1	0	277.280	0.145	20	30		CCEDRM
C=C(CCC(=O)[O-])C(=O)NC[C@@H](O)COCC1CC1	ZINC001588622737	983724967	/nfs/dbraw/zinc/72/49/67/983724967.db2.gz	DMUHVRHIKZOFDW-LLVKDONJSA-N	-1	0	271.313	0.311	20	30		CCEDRM
C=C(CCC(=O)[O-])C(=O)NCC(=O)Nc1cccnc1	ZINC001588623210	983726954	/nfs/dbraw/zinc/72/69/54/983726954.db2.gz	LXEGSTYPYAEHAK-UHFFFAOYSA-N	-1	0	277.280	0.557	20	30		CCEDRM
C=C(CCC(=O)[O-])C(=O)NC[C@@H]1CC(=O)N(CC)C1	ZINC001588624856	983735452	/nfs/dbraw/zinc/73/54/52/983735452.db2.gz	YTXKJVWWBWIRPH-JTQLQIEISA-N	-1	0	268.313	0.392	20	30		CCEDRM
C=C(CO)C(=O)Nc1c(C)nn(CCC(=O)[O-])c1C	ZINC001588637276	983759433	/nfs/dbraw/zinc/75/94/33/983759433.db2.gz	LBZIYTQMWXMYRF-UHFFFAOYSA-N	-1	0	267.285	0.462	20	30		CCEDRM
C=C(Cl)CN(C)CCCNC(=O)[C@H]1C[C@@H]1C(=O)[O-]	ZINC001588642377	983764472	/nfs/dbraw/zinc/76/44/72/983764472.db2.gz	TWPWXEDTJZLDKJ-UWVGGRQHSA-N	-1	0	274.748	0.898	20	30		CCEDRM
C=C(Cl)Cn1nnnc1N1CC[C@@H](C(=O)[O-])[C@@H]1C	ZINC001588643929	983768064	/nfs/dbraw/zinc/76/80/64/983768064.db2.gz	YJUUQJBBBXPAAP-JGVFFNPUSA-N	-1	0	271.708	0.725	20	30		CCEDRM
C=C[C@@H](C(=O)[O-])N(C)[C@H]1CCN(CC(F)(F)F)C1=O	ZINC001588664483	983800742	/nfs/dbraw/zinc/80/07/42/983800742.db2.gz	QLQQTQWKDNDOKU-YUMQZZPRSA-N	-1	0	280.246	0.721	20	30		CCEDRM
C=C[C@H](C(=O)[O-])N1CCN(C2=NC[C@@H](C)S2)CC1	ZINC001588669821	983815472	/nfs/dbraw/zinc/81/54/72/983815472.db2.gz	QNQKSWWAKCVZSU-NXEZZACHSA-N	-1	0	269.370	0.735	20	30		CCEDRM
C=CC(C)(C)C(=O)N1CC(N(C)C(=O)[C@H]2C[C@@H]2C(=O)[O-])C1	ZINC001588671497	983820714	/nfs/dbraw/zinc/82/07/14/983820714.db2.gz	BVTSUNXTPWAXMV-QWRGUYRKSA-N	-1	0	294.351	0.589	20	30		CCEDRM
C=C[C@H](C(=O)[O-])n1cc(CNCC(=O)OC(C)(C)C)nn1	ZINC001588672843	983827098	/nfs/dbraw/zinc/82/70/98/983827098.db2.gz	ZSTDTTSHFQIRME-SNVBAGLBSA-N	-1	0	296.327	0.521	20	30		CCEDRM
C=CC(C)(C)CNC(=O)N1C[C@H](C(=O)OC)[C@H](C(=O)[O-])C1	ZINC001588676842	983831240	/nfs/dbraw/zinc/83/12/40/983831240.db2.gz	FFBLQGJFEAVGON-ZJUUUORDSA-N	-1	0	298.339	0.714	20	30		CCEDRM
C=C[C@](C)(CC)C(=O)N1C[C@H](C(=O)[O-])[C@H](C(=O)OC)C1	ZINC001588681302	983840317	/nfs/dbraw/zinc/84/03/17/983840317.db2.gz	WAMIYLPFAPHPOC-IMSIIYSGSA-N	-1	0	283.324	0.921	20	30		CCEDRM
C=C[C@](C)(O)C(=O)NC[C@H](Cc1ccncc1)C(=O)[O-]	ZINC001588683144	983846667	/nfs/dbraw/zinc/84/66/67/983846667.db2.gz	VISYJNPTIUMVBM-FZMZJTMJSA-N	-1	0	278.308	0.378	20	30		CCEDRM
C=C[C@](C)(O)c1cn(C[C@H]2CC(C(=O)[O-])=C(C)O2)nn1	ZINC001588684250	983856889	/nfs/dbraw/zinc/85/68/89/983856889.db2.gz	NUVXMWNOIRDVDJ-RNCFNFMXSA-N	-1	0	279.296	0.819	20	30		CCEDRM
C=C[C@](C)(O)CC(=O)N1C[C@@H](C(=O)[O-])CC[C@H]1C(=O)OC	ZINC001588684276	983857676	/nfs/dbraw/zinc/85/76/76/983857676.db2.gz	OEDHJBTUAZTHNS-BHDSKKPTSA-N	-1	0	299.323	0.178	20	30		CCEDRM
C=C[C@@H](C)NS(=O)(=O)c1cnc(C)c(C(=O)[O-])c1	ZINC001588687278	983869445	/nfs/dbraw/zinc/86/94/45/983869445.db2.gz	MBJHJTHTVOMVSL-SSDOTTSWSA-N	-1	0	270.310	0.941	20	30		CCEDRM
C=C[C@@H](COC)NC(=O)N1CC(c2cc(C(=O)[O-])n[nH]2)C1	ZINC001588692590	983883899	/nfs/dbraw/zinc/88/38/99/983883899.db2.gz	FLNKPDDYYYZTSD-VIFPVBQESA-N	-1	0	294.311	0.418	20	30		CCEDRM
C=C[C@H](O)C(=O)Nc1ccc(OCC(=O)[O-])cc1C	ZINC001588704956	983925534	/nfs/dbraw/zinc/92/55/34/983925534.db2.gz	JCJNDOROASXQLY-NSHDSACASA-N	-1	0	265.265	0.944	20	30		CCEDRM
C=C[C@H](O)C(=O)N[C@@H](C(=O)[O-])c1ccc(O)cc1	ZINC001588705557	983927531	/nfs/dbraw/zinc/92/75/31/983927531.db2.gz	ODVQPFGCONIIDI-VHSXEESVSA-N	-1	0	251.238	0.181	20	30		CCEDRM
C=C[C@@H](OC(=O)Cn1ccc(C(=O)[O-])n1)C(=O)OCC	ZINC001588710448	983932083	/nfs/dbraw/zinc/93/20/83/983932083.db2.gz	BKKSGMOIJPKBCA-SECBINFHSA-N	-1	0	282.252	0.242	20	30		CCEDRM
C=C[C@@H](OC(=O)[C@@H]1CC[C@H](C(=O)[O-])O1)C(=O)OCC	ZINC001588710754	983934485	/nfs/dbraw/zinc/93/44/85/983934485.db2.gz	IUVQJSDHAHFKKN-HLTSFMKQSA-N	-1	0	272.253	0.280	20	30		CCEDRM
C=C[C@H](OC(=O)[C@@H](NC(=O)OC)C(C)C)C(=O)[O-]	ZINC001588711718	983939397	/nfs/dbraw/zinc/93/93/97/983939397.db2.gz	QSIWMDRTIUSRSG-YUMQZZPRSA-N	-1	0	259.258	0.549	20	30		CCEDRM
C=C[C@H](OC(=O)COCc1nnc(C)s1)C(=O)[O-]	ZINC001588712519	983944721	/nfs/dbraw/zinc/94/47/21/983944721.db2.gz	WSOWUVCVSIWZAD-ZETCQYMHSA-N	-1	0	272.282	0.546	20	30		CCEDRM
C=CC[C@@H](CO)NC(=O)N[C@H]1CC[C@@H](CC(=O)[O-])C1	ZINC001588745260	984049905	/nfs/dbraw/zinc/04/99/05/984049905.db2.gz	WQPCTCMEZYDXSL-VWYCJHECSA-N	-1	0	270.329	0.866	20	30		CCEDRM
C=CC[C@@H](OC(=O)c1ccc(S(C)(=O)=O)o1)C(=O)[O-]	ZINC001588756748	984099462	/nfs/dbraw/zinc/09/94/62/984099462.db2.gz	OFSURQDOMSKWCM-SSDOTTSWSA-N	-1	0	288.277	0.869	20	30		CCEDRM
C=CC[C@H]1CCN1C(=O)C(=O)Nc1nn(C)cc1C(=O)[O-]	ZINC001588772417	984142955	/nfs/dbraw/zinc/14/29/55/984142955.db2.gz	FLPVSIKZBJDRJK-QMMMGPOBSA-N	-1	0	292.295	0.234	20	30		CCEDRM
C=CCCC(=O)N[C@H](CCC1OCCO1)C(=O)[O-]	ZINC001588774080	984150949	/nfs/dbraw/zinc/15/09/49/984150949.db2.gz	SAOARMJUQIEKDY-SECBINFHSA-N	-1	0	257.286	0.675	20	30		CCEDRM
C=CCCCC(=O)N(C)CCNc1ccnc(C(=O)[O-])n1	ZINC001588781504	984166565	/nfs/dbraw/zinc/16/65/65/984166565.db2.gz	AHDGEKVMQCJMHG-UHFFFAOYSA-N	-1	0	292.339	0.823	20	30		CCEDRM
C=CCCCC(=O)NC1CN(C(=O)[C@H]2C[C@H]2C(=O)[O-])C1	ZINC001588783014	984176054	/nfs/dbraw/zinc/17/60/54/984176054.db2.gz	STXFGUGZAAJQOA-WDEREUQCSA-N	-1	0	280.324	0.390	20	30		CCEDRM
C=CCCC[C@H](NC(=O)/C=C\Cn1cncn1)C(=O)[O-]	ZINC001588790072	984203619	/nfs/dbraw/zinc/20/36/19/984203619.db2.gz	PMLPVGQBMSMYNS-XOIDGJRKSA-N	-1	0	278.312	0.760	20	30		CCEDRM
C=CCCC[C@H](NC(=O)[C@H]1CCOC(=O)N1)C(=O)[O-]	ZINC001588790604	984207031	/nfs/dbraw/zinc/20/70/31/984207031.db2.gz	ZUCJUWLASNNUCW-BDAKNGLRSA-N	-1	0	270.285	0.411	20	30		CCEDRM
C=CCCOCC(=O)N[C@](CC)(COC)C(=O)[O-]	ZINC001588810351	984266227	/nfs/dbraw/zinc/26/62/27/984266227.db2.gz	KKTPGZHCRAXSJH-GFCCVEGCSA-N	-1	0	259.302	0.575	20	30		CCEDRM
C=CCCn1cc(C(=O)OCCCC(=O)[O-])nn1	ZINC001588817811	984277880	/nfs/dbraw/zinc/27/78/80/984277880.db2.gz	VZJUGPDHCNYRKK-UHFFFAOYSA-N	-1	0	253.258	0.876	20	30		CCEDRM
C=CCCn1cc(CN2CCO[C@@H](C(=O)[O-])C2)nn1	ZINC001588819890	984279378	/nfs/dbraw/zinc/27/93/78/984279378.db2.gz	GOZVOFOXKHSSPX-LLVKDONJSA-N	-1	0	266.301	0.140	20	30		CCEDRM
C=CCCn1cc(CN2CCC[C@H](O)[C@H]2C(=O)[O-])nn1	ZINC001588820051	984281313	/nfs/dbraw/zinc/28/13/13/984281313.db2.gz	OGUWZYBKNORYOU-RYUDHWBXSA-N	-1	0	280.328	0.264	20	30		CCEDRM
C=CCN([C@@H](C)COC)S(=O)(=O)C[C@@H](C)C(=O)[O-]	ZINC001588820789	984286524	/nfs/dbraw/zinc/28/65/24/984286524.db2.gz	RXNSGPUAOXYNAE-ZJUUUORDSA-N	-1	0	279.358	0.560	20	30		CCEDRM
C=CCN(C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)[O-])C(C)C	ZINC001588820863	984287198	/nfs/dbraw/zinc/28/71/98/984287198.db2.gz	XBFBOAYQFUGYME-UWVGGRQHSA-N	-1	0	285.344	0.570	20	30		CCEDRM
C=CCNC(=O)C(=O)Nc1cc(C(=O)[O-])ccc1F	ZINC001588838933	984342848	/nfs/dbraw/zinc/34/28/48/984342848.db2.gz	MLOJNFPBDIFLLU-UHFFFAOYSA-N	-1	0	266.228	0.765	20	30		CCEDRM
C=CCN1CC[C@H](N2CC[C@@H](C)C[C@@H]2C(=O)[O-])C1=O	ZINC001588838885	984343036	/nfs/dbraw/zinc/34/30/36/984343036.db2.gz	MAEHUGPPNVELLH-GRYCIOLGSA-N	-1	0	266.341	0.958	20	30		CCEDRM
C=CCN1CC[C@@H](N2CC[C@](F)(C(=O)[O-])C2)C1=O	ZINC001588840106	984352191	/nfs/dbraw/zinc/35/21/91/984352191.db2.gz	ZSXKGFUXYWNHEM-BXKDBHETSA-N	-1	0	256.277	0.272	20	30		CCEDRM
C=CCOCC(=O)N[C@H](C(=O)[O-])c1ccc(O)cc1	ZINC001588850976	984381887	/nfs/dbraw/zinc/38/18/87/984381887.db2.gz	MZBHOIFSXBIACL-LBPRGKRZSA-N	-1	0	265.265	0.837	20	30		CCEDRM
C=CCOC[C@@H](NC(=O)COCc1ncc(C)o1)C(=O)[O-]	ZINC001588853915	984387557	/nfs/dbraw/zinc/38/75/57/984387557.db2.gz	LHNGHSAEQVFLNX-SNVBAGLBSA-N	-1	0	298.295	0.272	20	30		CCEDRM
C=CCOC[C@@H](NC(=O)[C@@H](C)n1nc(C)cc1C)C(=O)[O-]	ZINC001588855590	984393750	/nfs/dbraw/zinc/39/37/50/984393750.db2.gz	MBTFIFMDASTDMI-VXGBXAGGSA-N	-1	0	295.339	0.833	20	30		CCEDRM
C=CCOC[C@@H](NC(=O)O[C@@H](C)COC)C(=O)[O-]	ZINC001588856519	984401027	/nfs/dbraw/zinc/40/10/27/984401027.db2.gz	LJIZJJHPAVLPBZ-DTWKUNHWSA-N	-1	0	261.274	0.403	20	30		CCEDRM
C=CCOC[C@@H](NC(=O)c1cc(N)nc(Cl)c1)C(=O)[O-]	ZINC001588859711	984407451	/nfs/dbraw/zinc/40/74/51/984407451.db2.gz	URFHLPYCWAUTIC-MRVPVSSYSA-N	-1	0	299.714	0.703	20	30		CCEDRM
C=CCOC[C@H](NC(=O)c1cn(C)nc1C)C(=O)[O-]	ZINC001588860163	984411283	/nfs/dbraw/zinc/41/12/83/984411283.db2.gz	KUHJRTJVZKKIKU-JTQLQIEISA-N	-1	0	267.285	0.114	20	30		CCEDRM
C=CCOC[C@H](NC(=O)c1nn(C)cc1Cl)C(=O)[O-]	ZINC001588860332	984412205	/nfs/dbraw/zinc/41/22/05/984412205.db2.gz	QLSOIHCPNMNHOX-QMMMGPOBSA-N	-1	0	287.703	0.459	20	30		CCEDRM
C=CCOC[C@@H](NC(=O)c1ccnc(F)c1)C(=O)[O-]	ZINC001588860355	984412691	/nfs/dbraw/zinc/41/26/91/984412691.db2.gz	RQRRXPAESHMRSZ-SECBINFHSA-N	-1	0	268.244	0.606	20	30		CCEDRM
C=CCOC[C@@H](NC(=O)c1cnc2n[nH]cc2c1)C(=O)[O-]	ZINC001588860434	984413322	/nfs/dbraw/zinc/41/33/22/984413322.db2.gz	UTPSFGKGUCNJAG-SNVBAGLBSA-N	-1	0	290.279	0.344	20	30		CCEDRM
C=CCOCCCC(=O)O[C@H]1C[C@H](C(=O)[O-])N(C)C1	ZINC001588866537	984426055	/nfs/dbraw/zinc/42/60/55/984426055.db2.gz	JOVXIENVGWVRGE-WDEREUQCSA-N	-1	0	271.313	0.670	20	30		CCEDRM
C=CCOc1ccc(CC(=O)NC[C@H](O)C(=O)[O-])cc1	ZINC001588874077	984447536	/nfs/dbraw/zinc/44/75/36/984447536.db2.gz	VHZGKXODOHJDQF-LBPRGKRZSA-N	-1	0	279.292	0.356	20	30		CCEDRM
C=CCn1nnnc1S[C@@H]1CCN(CCC(=O)[O-])C1=O	ZINC001588912821	984552674	/nfs/dbraw/zinc/55/26/74/984552674.db2.gz	PBUILLXKICOPLU-MRVPVSSYSA-N	-1	0	297.340	0.027	20	30		CCEDRM
CC#CCCNC(=O)[C@H]1CC[C@@H](CCC(=O)[O-])O1	ZINC001588927068	984596613	/nfs/dbraw/zinc/59/66/13/984596613.db2.gz	LBSGQZDSMLTBMA-WDEREUQCSA-N	-1	0	253.298	0.928	20	30		CCEDRM
CC#CCN(C)S(=O)(=O)[C@@H]1CCCC[C@@H]1C(=O)[O-]	ZINC001588931517	984603384	/nfs/dbraw/zinc/60/33/84/984603384.db2.gz	YGKCEZXKVQOCOO-WDEREUQCSA-N	-1	0	273.354	0.915	20	30		CCEDRM
Cc1[nH]c(C#N)cc1C(=O)N1C[C@@H](C)O[C@H](C(=O)[O-])C1	ZINC001599942592	985473252	/nfs/dbraw/zinc/47/32/52/985473252.db2.gz	PXJOSDHAURIJSA-HQJQHLMTSA-N	-1	0	277.280	0.509	20	30		CCEDRM
Cc1[nH]c(C#N)cc1C(=O)N[C@H](CC1OCCO1)C(=O)[O-]	ZINC001599942738	985475173	/nfs/dbraw/zinc/47/51/73/985475173.db2.gz	SINPWCUJULCDET-SNVBAGLBSA-N	-1	0	293.279	0.141	20	30		CCEDRM
Cc1c(C#N)cccc1NC(=O)N1CC(O)(C(=O)[O-])C1	ZINC001599974380	986065263	/nfs/dbraw/zinc/06/52/63/986065263.db2.gz	AJCCYSPVBZOUFJ-UHFFFAOYSA-N	-1	0	275.264	0.530	20	30		CCEDRM
Cc1c(C#N)c(=O)n(CC(C)(C)C(=O)[O-])c(=O)n1C1CC1	ZINC001599974761	986070632	/nfs/dbraw/zinc/07/06/32/986070632.db2.gz	ZCHCIRHHUMZNCE-UHFFFAOYSA-N	-1	0	291.307	0.636	20	30		CCEDRM
C[C@@H]1CN(Cc2cc(C(=O)[O-])no2)C[C@@H](C)N1CC#N	ZINC001594534813	986143763	/nfs/dbraw/zinc/14/37/63/986143763.db2.gz	KNFJWZTZEBNRMD-NXEZZACHSA-N	-1	0	278.312	0.791	20	30		CCEDRM
C[C@H](C#N)C(=O)NC(C)(C)c1nocc1C(=O)[O-]	ZINC001589328549	986156481	/nfs/dbraw/zinc/15/64/81/986156481.db2.gz	BWTDEQRFGNKYCT-ZCFIWIBFSA-N	-1	0	251.242	0.884	20	30		CCEDRM
C[C@@H](C#N)CN(C)C(=O)C(=O)N1CCC[C@H]1CC(=O)[O-]	ZINC001589329891	986167985	/nfs/dbraw/zinc/16/79/85/986167985.db2.gz	VPKSKOVGRBQDQD-UWVGGRQHSA-N	-1	0	281.312	0.070	20	30		CCEDRM
C[C@@H](C#N)CNC(=O)N1CCSC[C@H](C(=O)[O-])C1	ZINC001589331048	986182750	/nfs/dbraw/zinc/18/27/50/986182750.db2.gz	ZCHKXEJKEMWCCU-DTWKUNHWSA-N	-1	0	271.342	0.605	20	30		CCEDRM
CC(C)[C@H](NC(=O)CSCCO[C@@H](C)C#N)C(=O)[O-]	ZINC001589332059	986195882	/nfs/dbraw/zinc/19/58/82/986195882.db2.gz	WRLIJAQJQJNPNW-ONGXEEELSA-N	-1	0	288.369	0.874	20	30		CCEDRM
CC(C)(C#N)CC(=O)NC[C@@H](C(=O)[O-])[C@@H]1CCOC1	ZINC001589554137	987298384	/nfs/dbraw/zinc/29/83/84/987298384.db2.gz	VOZCUFUMYLPDFD-NXEZZACHSA-N	-1	0	268.313	0.780	20	30		CCEDRM
CC(C)(C#N)NC(=O)CC[C@@H]1C[C@H](C(=O)[O-])CO1	ZINC001589559102	987312798	/nfs/dbraw/zinc/31/27/98/987312798.db2.gz	ZNSRBVYGTCFHOR-DTWKUNHWSA-N	-1	0	254.286	0.675	20	30		CCEDRM
CC[C@@H]1OCC[C@H]1C(=O)N(CC#N)CCC(=O)[O-]	ZINC001597303678	987418228	/nfs/dbraw/zinc/41/82/28/987418228.db2.gz	ZUDKKSKZGJYSQS-ZJUUUORDSA-N	-1	0	254.286	0.628	20	30		CCEDRM
CC(C)(C)OC(=O)CN(CCC(=O)[O-])C(=O)CC#N	ZINC001589877647	988539381	/nfs/dbraw/zinc/53/93/81/988539381.db2.gz	MRRNWKFEHBNPIV-UHFFFAOYSA-N	-1	0	270.285	0.545	20	30		CCEDRM
C[C@@H](NC(=O)[C@H](C#N)Cc1ccc(C#N)cc1)C(=O)[O-]	ZINC001599837468	988767131	/nfs/dbraw/zinc/76/71/31/988767131.db2.gz	JRUXQODFLWSFHF-SKDRFNHKSA-N	-1	0	271.276	0.830	20	30		CCEDRM
CCc1nc(NC(=O)C#CCOC)sc1C(=O)[O-]	ZINC001597673280	988772280	/nfs/dbraw/zinc/77/22/80/988772280.db2.gz	NCNHVTCVVURLOR-UHFFFAOYSA-N	-1	0	268.294	0.992	20	30		CCEDRM
CCc1ncsc1C(=O)N(CC#N)CC(=O)[O-]	ZINC001597711193	988969856	/nfs/dbraw/zinc/96/98/56/988969856.db2.gz	XZTKONGMOLUNHC-UHFFFAOYSA-N	-1	0	253.283	0.756	20	30		CCEDRM
C[C@@H]1CN(C(=O)CC(C)(C)C#N)C[C@@H](C(=O)[O-])O1	ZINC001599854810	989071630	/nfs/dbraw/zinc/07/16/30/989071630.db2.gz	VNJPKRYGQZNEAA-BDAKNGLRSA-N	-1	0	254.286	0.627	20	30		CCEDRM
CCn1ncn(N=Cc2cccn2[C@H](C)C(=O)[O-])c1=O	ZINC001597968438	990013033	/nfs/dbraw/zinc/01/30/33/990013033.db2.gz	UOSJKMCZMSZHIZ-SECBINFHSA-N	-1	0	277.284	0.394	20	30		CCEDRM
CC(C)(CC#N)CNC(=O)Cn1cc(C(=O)[O-])cn1	ZINC001590614990	990285891	/nfs/dbraw/zinc/28/58/91/990285891.db2.gz	DTKCBVILUYWCAH-UHFFFAOYSA-N	-1	0	264.285	0.637	20	30		CCEDRM
CC(C)(CC#N)CNC(=O)N1C[C@H](C(=O)[O-])C[C@H](O)C1	ZINC001590615218	990288366	/nfs/dbraw/zinc/28/83/66/990288366.db2.gz	OJRNLGSWPXBTED-ZJUUUORDSA-N	-1	0	283.328	0.403	20	30		CCEDRM
CC(C)(CC#N)CS(=O)(=O)N[C@H](C(=O)[O-])C1CC1	ZINC001590616647	990292508	/nfs/dbraw/zinc/29/25/08/990292508.db2.gz	IKXWYMKGZYHWQA-VIFPVBQESA-N	-1	0	274.342	0.709	20	30		CCEDRM
CC(C)(CCC#N)CNC(=O)NCCOCC(=O)[O-]	ZINC001590656304	990353129	/nfs/dbraw/zinc/35/31/29/990353129.db2.gz	NJFNXHCCYDECBW-UHFFFAOYSA-N	-1	0	271.317	0.717	20	30		CCEDRM
CN(C(=O)[C@H]1CC[C@@H](C(=O)[O-])O1)c1ccc(C#N)nc1	ZINC001598072031	990367988	/nfs/dbraw/zinc/36/79/88/990367988.db2.gz	FZKMVMYIMVYFMR-MNOVXSKESA-N	-1	0	275.264	0.548	20	30		CCEDRM
CC(C)C#CC(=O)NC[C@H](C(=O)[O-])[C@@H]1CCOC1	ZINC001590927748	990936387	/nfs/dbraw/zinc/93/63/87/990936387.db2.gz	KIRYQSOLICHQDC-MNOVXSKESA-N	-1	0	253.298	0.499	20	30		CCEDRM
CC(C)C#CC(=O)NC/C=C\CNC(=O)[C@@H]1C[C@H]1C(=O)[O-]	ZINC001590927921	990937785	/nfs/dbraw/zinc/93/77/85/990937785.db2.gz	NXXOCFKBIPRMIQ-OPVGQWETSA-N	-1	0	292.335	0.155	20	30		CCEDRM
COc1cccc2c(C(=O)N(CC#N)CC(=O)[O-])[nH]nc21	ZINC001599688305	991024179	/nfs/dbraw/zinc/02/41/79/991024179.db2.gz	CQLABDUIIZMJMX-UHFFFAOYSA-N	-1	0	288.263	0.622	20	30		CCEDRM
CS(=O)(=O)c1cccc(CN(CC#N)CCC(=O)[O-])c1	ZINC001599772406	992260760	/nfs/dbraw/zinc/26/07/60/992260760.db2.gz	SGBVWTMSVJVEJR-UHFFFAOYSA-N	-1	0	296.348	0.890	20	30		CCEDRM
CC(C)N(CCC#N)C(=O)Cn1cccc(C(=O)[O-])c1=O	ZINC001591574947	992785368	/nfs/dbraw/zinc/78/53/68/992785368.db2.gz	VNWDLHMHGSZXOO-UHFFFAOYSA-N	-1	0	291.307	0.697	20	30		CCEDRM
COc1ccc(O)c(/C=N/CCOCC(=O)[O-])c1	ZINC001599598405	993780010	/nfs/dbraw/zinc/78/00/10/993780010.db2.gz	LRFRUUPRTBZPSA-NTUHNPAUSA-N	-1	0	253.254	0.921	20	30		CCEDRM
Cn1cc(C=NN2CCN(C)CC2)cc1C(=O)[O-]	ZINC001598620571	993997332	/nfs/dbraw/zinc/99/73/32/993997332.db2.gz	DXBTXCNNRJZPCK-UHFFFAOYSA-N	-1	0	250.302	0.305	20	30		CCEDRM
COc1cccc([C@@H](O)C(=O)N(CC#N)CCC(=O)[O-])c1	ZINC001599659188	994629921	/nfs/dbraw/zinc/62/99/21/994629921.db2.gz	HUSSHZCWMQBEBB-CYBMUJFWSA-N	-1	0	292.291	0.555	20	30		CCEDRM
CNc1ccc(C(=O)N2CCC(C#N)(C(=O)[O-])CC2)cn1	ZINC001598677812	994875544	/nfs/dbraw/zinc/87/55/44/994875544.db2.gz	GHSNMUVXICVCPG-UHFFFAOYSA-N	-1	0	288.307	0.954	20	30		CCEDRM
C[C@@H](OC(=O)CC1(C#N)CC1)c1cn(CC(=O)[O-])nn1	ZINC001593514900	995535787	/nfs/dbraw/zinc/53/57/87/995535787.db2.gz	LGRBJONOAOITSU-MRVPVSSYSA-N	-1	0	278.268	0.661	20	30		CCEDRM
COC(=O)[C@H]1[C@@H](CN(CC#N)CCC(=O)[O-])C1(F)F	ZINC001598746344	995597257	/nfs/dbraw/zinc/59/72/57/995597257.db2.gz	XWTLQBNKLOQALP-VXNVDRBHSA-N	-1	0	276.239	0.341	20	30		CCEDRM
COC(=O)[C@H]1C[C@@H](C(=O)[O-])CCN1Cc1ccc(C#N)o1	ZINC001598758713	995752354	/nfs/dbraw/zinc/75/23/54/995752354.db2.gz	LYHDVQPONHJBPZ-JOYOIKCWSA-N	-1	0	292.291	0.989	20	30		CCEDRM
C[C@]1(C#N)CN(Cc2ncc(C(=O)[O-])s2)CCO1	ZINC001593742679	996362116	/nfs/dbraw/zinc/36/21/16/996362116.db2.gz	CFYLGKGHVYXABF-NSHDSACASA-N	-1	0	267.310	0.956	20	30		CCEDRM
COC(=O)CC[C@@H](NC(=O)CC(C)(C)C#N)C(=O)[O-]	ZINC001598855188	996632177	/nfs/dbraw/zinc/63/21/77/996632177.db2.gz	GPVGBLMGFUEEFZ-MRVPVSSYSA-N	-1	0	270.285	0.449	20	30		CCEDRM
CC1(C)CCCN(CC(=O)NCCC(=O)[O-])[C@@H]1C#N	ZINC001593903876	996777422	/nfs/dbraw/zinc/77/74/22/996777422.db2.gz	OHWZKGQAGCOKSN-SNVBAGLBSA-N	-1	0	267.329	0.591	20	30		CCEDRM
COC(=O)[C@@H](CCC(=O)[O-])NC(=O)CC1(C#N)CC1	ZINC001598890486	996982870	/nfs/dbraw/zinc/98/28/70/996982870.db2.gz	QQHGWLQTPXOJGP-MRVPVSSYSA-N	-1	0	268.269	0.203	20	30		CCEDRM
COC[C@H](OC(=O)c1ccc(C#N)s1)C(=O)[O-]	ZINC001599185667	997021480	/nfs/dbraw/zinc/02/14/80/997021480.db2.gz	VKTXSTCUEBMUEQ-ZETCQYMHSA-N	-1	0	255.251	0.876	20	30		CCEDRM
COC[C@@]1(C(=O)[O-])CCCN1C(=O)C#CC1CC1	ZINC001599189601	997098290	/nfs/dbraw/zinc/09/82/90/997098290.db2.gz	GOSPUOQKTIJJEP-CYBMUJFWSA-N	-1	0	251.282	0.492	20	30		CCEDRM
COCC[C@@](C)(C#N)NC(=O)[C@H]1C[C@@H](C(=O)[O-])C1	ZINC001599207503	997436310	/nfs/dbraw/zinc/43/63/10/997436310.db2.gz	NKVAWFDCCSBUAY-SBMIAAHKSA-N	-1	0	254.286	0.532	20	30		CCEDRM
CON=CC(=O)NC[C@H](C(=O)[O-])c1ccccc1	ZINC001599320924	997579587	/nfs/dbraw/zinc/57/95/87/997579587.db2.gz	WVNNCLNPBFJOMK-JTQLQIEISA-N	-1	0	250.254	0.603	20	30		CCEDRM
CO[C@@H]1CCN(C(=O)C#CC(C)C)[C@H](C(=O)[O-])C1	ZINC001599117007	997671353	/nfs/dbraw/zinc/67/13/53/997671353.db2.gz	ULBFDVAABCFHEP-MNOVXSKESA-N	-1	0	253.298	0.736	20	30		CCEDRM
COCCN(C)N=Cc1c(C)nn(CCC(=O)[O-])c1C	ZINC001599232167	997880854	/nfs/dbraw/zinc/88/08/54/997880854.db2.gz	MNJKGSVSRIHLFD-UHFFFAOYSA-N	-1	0	282.344	0.887	20	30		CCEDRM
COCCNC(=O)[C@@H](C#N)C(=O)[C@H]1CC[C@H](C(=O)[O-])CC1	ZINC001599243421	998090416	/nfs/dbraw/zinc/09/04/16/998090416.db2.gz	YRNVCNPHRWBLAS-DCAQKATOSA-N	-1	0	296.323	0.349	20	30		CCEDRM
C[C@@H]1C(=O)CC[C@H]1CC(=O)N(CC#N)CC(=O)[O-]	ZINC001594120967	998275532	/nfs/dbraw/zinc/27/55/32/998275532.db2.gz	ACYQXOIXRRFYCX-IUCAKERBSA-N	-1	0	252.270	0.428	20	30		CCEDRM
COc1ccc(CNC(=O)[C@H]2C[C@H]2C(=O)[O-])cc1C#N	ZINC001599569169	998336976	/nfs/dbraw/zinc/33/69/76/998336976.db2.gz	IOFBOZBGNRVSEO-WDEREUQCSA-N	-1	0	274.276	0.904	20	30		CCEDRM
COC[C@@H](NC(=O)Cc1ccccc1CC#N)C(=O)[O-]	ZINC001599169526	998591550	/nfs/dbraw/zinc/59/15/50/998591550.db2.gz	CVVGTOIUBRBIJN-GFCCVEGCSA-N	-1	0	276.292	0.511	20	30		CCEDRM
C[C@@H]1[C@H](C(=O)[O-])CCN1C(=O)c1ccc(C#N)nc1	ZINC001594158224	998583483	/nfs/dbraw/zinc/58/34/83/998583483.db2.gz	FIACCGXFKGDAOT-LDYMZIIASA-N	-1	0	259.265	0.888	20	30		CCEDRM
C[C@@H]1C[C@H](C)[C@H](C(=O)N(CC#N)CCC(=O)[O-])O1	ZINC001594217746	998839658	/nfs/dbraw/zinc/83/96/58/998839658.db2.gz	YDGRYYVRAPBONZ-IQJOONFLSA-N	-1	0	254.286	0.627	20	30		CCEDRM
C[C@H]1CCn2ncc(C(=O)N(CC#N)CCC(=O)[O-])c2C1	ZINC001594452349	999652594	/nfs/dbraw/zinc/65/25/94/999652594.db2.gz	QCOLMJQBIYGIJP-JTQLQIEISA-N	-1	0	290.323	0.906	20	30		CCEDRM
N#Cc1cc(F)ccc1N1CCO[C@@H](C(=O)[O-])C1	ZINC000111026068	349764561	/nfs/dbraw/zinc/76/45/61/349764561.db2.gz	PJNYUVGBNQBPOQ-LLVKDONJSA-N	-1	0	250.229	0.987	20	30		CCEDRM
CN(C)C1(C(=O)N=c2[nH][n-]c(C3CC3)c2C#N)CC1	ZINC000600823350	362072120	/nfs/dbraw/zinc/07/21/20/362072120.db2.gz	BZQYAIGZKBYWJF-UHFFFAOYSA-N	-1	0	259.313	0.613	20	30		CCEDRM
C[C@@H]1C[C@H](C(=O)[O-])CCN1S(=O)(=O)CC1(C#N)CC1	ZINC000600893942	362091113	/nfs/dbraw/zinc/09/11/13/362091113.db2.gz	DHTNKNQDZIQJRY-NXEZZACHSA-N	-1	0	286.353	0.805	20	30		CCEDRM
CN(C(=O)c1cnc([O-])n(C)c1=O)[C@H]1CCC[C@@H]1C#N	ZINC000601817702	362400091	/nfs/dbraw/zinc/40/00/91/362400091.db2.gz	VTLBVRRCVOKMNV-SCZZXKLOSA-N	-1	0	276.296	0.250	20	30		CCEDRM
C=CCn1cc(CNC(=O)[C@@H](C)S[C@H](C)C(=O)[O-])nn1	ZINC000601998423	362453592	/nfs/dbraw/zinc/45/35/92/362453592.db2.gz	JKXAESCDIBCJRM-RKDXNWHRSA-N	-1	0	298.368	0.675	20	30		CCEDRM
C[C@@H]1CCN(C(=O)CCn2cc(C#N)c(=O)[n-]c2=O)[C@H]1C	ZINC000602117538	362499413	/nfs/dbraw/zinc/49/94/13/362499413.db2.gz	SBZWRADFZRBLKD-ZJUUUORDSA-N	-1	0	290.323	0.468	20	30		CCEDRM
C[C@H]1CC[C@H](C)N1C(=O)CCn1cc(C#N)c(=O)[n-]c1=O	ZINC000602118437	362500610	/nfs/dbraw/zinc/50/06/10/362500610.db2.gz	MIVQOLQJJPSNHU-UWVGGRQHSA-N	-1	0	290.323	0.610	20	30		CCEDRM
CC(C)[C@@H]1CCN1C(=O)CCn1cc(C#N)c(=O)[n-]c1=O	ZINC000602133192	362512743	/nfs/dbraw/zinc/51/27/43/362512743.db2.gz	PLHGKQPALROCOV-NSHDSACASA-N	-1	0	290.323	0.468	20	30		CCEDRM
C[C@@H]1C[C@@H](C)N1C(=O)CCn1cc(C#N)c(=O)[n-]c1=O	ZINC000602143151	362521912	/nfs/dbraw/zinc/52/19/12/362521912.db2.gz	IZLWSMDCQDYSCT-RKDXNWHRSA-N	-1	0	276.296	0.220	20	30		CCEDRM
CCN(C(=O)Cn1cc(C#N)c(=O)[n-]c1=O)[C@H](C)C(C)C	ZINC000602151080	362526909	/nfs/dbraw/zinc/52/69/09/362526909.db2.gz	GTXPFOVDBOIJNE-SNVBAGLBSA-N	-1	0	292.339	0.714	20	30		CCEDRM
CCCN(C(=O)Cn1cc(C#N)c(=O)[n-]c1=O)C(C)C	ZINC000602175380	362543405	/nfs/dbraw/zinc/54/34/05/362543405.db2.gz	PKFINJHZQASCJB-UHFFFAOYSA-N	-1	0	278.312	0.468	20	30		CCEDRM
N#Cc1ccc(S(=O)(=O)N2CC[C@H](C(=O)[O-])C2)cc1F	ZINC000262730661	137052002	/nfs/dbraw/zinc/05/20/02/137052002.db2.gz	BTGGHAGTCMEKFU-VIFPVBQESA-N	-1	0	298.295	0.793	20	30		CCEDRM
C[C@H](NS(=O)(=O)Cc1ccc(F)cc1C#N)C(=O)[O-]	ZINC000263553155	137068114	/nfs/dbraw/zinc/06/81/14/137068114.db2.gz	MKUPNUGSOUPCAG-ZETCQYMHSA-N	-1	0	286.284	0.590	20	30		CCEDRM
Cc1c(S(=O)(=O)[N-]c2c(C#N)cnn2C)cnn1C	ZINC000311995905	137076354	/nfs/dbraw/zinc/07/63/54/137076354.db2.gz	SVUVNQFONIFDPM-UHFFFAOYSA-N	-1	0	280.313	0.135	20	30		CCEDRM
Cc1nn(C)cc1S(=O)(=O)[N-]c1ccc(C#N)cn1	ZINC000342463799	137095452	/nfs/dbraw/zinc/09/54/52/137095452.db2.gz	GKGMKUJFGQSVIG-UHFFFAOYSA-N	-1	0	277.309	0.218	20	30		CCEDRM
Cc1ccnc(NCCCc2n[nH]c(=O)[n-]2)c1C#N	ZINC000343508635	137139288	/nfs/dbraw/zinc/13/92/88/137139288.db2.gz	IRFQCDAWQBEQMS-UHFFFAOYSA-N	-1	0	258.285	0.552	20	30		CCEDRM
CN(CCC(=O)[O-])S(=O)(=O)c1ccc(C#N)cc1	ZINC000037932458	348219912	/nfs/dbraw/zinc/21/99/12/348219912.db2.gz	XWLAMHAZAACUEW-UHFFFAOYSA-N	-1	0	268.294	0.653	20	30		CCEDRM
Cn1cc(C#N)c(=NC(=O)N[C@@H]2C[C@H]2C(F)(F)F)[n-]1	ZINC000602883337	362862578	/nfs/dbraw/zinc/86/25/78/362862578.db2.gz	SIVGWVPHCQMCDN-RNFRBKRXSA-N	-1	0	273.218	0.786	20	30		CCEDRM
C[C@H]1COC2(CCC2)CN1C(=O)N=c1[n-]n(C)cc1C#N	ZINC000602887729	362867336	/nfs/dbraw/zinc/86/73/36/362867336.db2.gz	QWPTYECXVNEJTJ-JTQLQIEISA-N	-1	0	289.339	0.889	20	30		CCEDRM
CCN(C)S(=O)(=O)[N-]c1nn(C(C)C)cc1C#N	ZINC000345237508	137240839	/nfs/dbraw/zinc/24/08/39/137240839.db2.gz	PSBVTACTYMUXNV-UHFFFAOYSA-N	-1	0	271.346	0.944	20	30		CCEDRM
C[C@@H](CNc1ncc([N+](=O)[O-])cc1C#N)C(=O)[O-]	ZINC000054334417	348551648	/nfs/dbraw/zinc/55/16/48/348551648.db2.gz	UKUDBMJPRQGTCS-LURJTMIESA-N	-1	0	250.214	0.994	20	30		CCEDRM
Cc1ccc(C#N)cc1S(=O)(=O)N(C)CC(=O)[O-]	ZINC000070430275	348888794	/nfs/dbraw/zinc/88/87/94/348888794.db2.gz	BDVAACULVMBUAD-UHFFFAOYSA-N	-1	0	268.294	0.572	20	30		CCEDRM
CC(C)(CNS(=O)(=O)c1ccc(C#N)cc1)C(=O)[O-]	ZINC000137475989	350436508	/nfs/dbraw/zinc/43/65/08/350436508.db2.gz	SGBQZPHTAGWTCJ-UHFFFAOYSA-N	-1	0	282.321	0.947	20	30		CCEDRM
N#Cc1ccc(CS(=O)(=O)NC2(C(=O)[O-])CCC2)cc1	ZINC000164919448	350784720	/nfs/dbraw/zinc/78/47/20/350784720.db2.gz	YBVOFJPDWCDDKI-UHFFFAOYSA-N	-1	0	294.332	0.985	20	30		CCEDRM
Cn1[n-]nnc1=N[C@H]1CCCN(c2ccc(C#N)cc2)C1=O	ZINC000541869038	290939530	/nfs/dbraw/zinc/93/95/30/290939530.db2.gz	ZUZYYBYKUWLNTB-LBPRGKRZSA-N	-1	0	297.322	0.111	20	30		CCEDRM
N#Cc1cn(CC(=O)Nc2ccccc2)c(=O)[n-]c1=O	ZINC000603919127	363172464	/nfs/dbraw/zinc/17/24/64/363172464.db2.gz	UWFZONJLFVDSQR-UHFFFAOYSA-N	-1	0	270.248	0.459	20	30		CCEDRM
CC#CC[C@H](NS(=O)(=O)C[C@@H](C)CC)C(=O)[O-]	ZINC000274980452	353176916	/nfs/dbraw/zinc/17/69/16/353176916.db2.gz	JPBHOMJYXXVVBQ-UWVGGRQHSA-N	-1	0	261.343	0.819	20	30		CCEDRM
C=CC[C@H](CO)NC(=O)[C@@H]([N-]C(=O)C(F)(F)F)C(C)C	ZINC000279622498	353305587	/nfs/dbraw/zinc/30/55/87/353305587.db2.gz	BARNUFYRGDVJPZ-BDAKNGLRSA-N	-1	0	296.289	0.743	20	30		CCEDRM
C[C@H](CC(=O)[O-])NS(=O)(=O)c1cncc(C#N)c1	ZINC000290425525	353726622	/nfs/dbraw/zinc/72/66/22/353726622.db2.gz	AMWUTNFNVIHOMW-SSDOTTSWSA-N	-1	0	269.282	0.095	20	30		CCEDRM
N#Cc1ccc(C(=O)NCC(=O)[N-]OCC2CC2)cc1	ZINC000293890119	353848470	/nfs/dbraw/zinc/84/84/70/353848470.db2.gz	YODFWSXRGFCZAM-UHFFFAOYSA-N	-1	0	273.292	0.746	20	30		CCEDRM
O=C(N=c1cn[n-]s1)NC[C@@H]1CCCCS1(=O)=O	ZINC000330273915	354315201	/nfs/dbraw/zinc/31/52/01/354315201.db2.gz	ZXLVKIJOXIDJLY-ZETCQYMHSA-N	-1	0	290.370	0.831	20	30		CCEDRM
Cc1cc(C)n2[n-]c(=NC(=O)N[C@@H](C)CC#N)nc2n1	ZINC000339134766	355492642	/nfs/dbraw/zinc/49/26/42/355492642.db2.gz	QFDFFPGNVGSHKQ-ZETCQYMHSA-N	-1	0	273.300	0.587	20	30		CCEDRM
COc1cc(C#N)ccc1S(=O)(=O)NCCCC(=O)[O-]	ZINC000362004720	138041753	/nfs/dbraw/zinc/04/17/53/138041753.db2.gz	ZKYQRVWLMQJECO-UHFFFAOYSA-N	-1	0	298.320	0.710	20	30		CCEDRM
N#Cc1nc(NC(=O)CCCn2cccn2)[n-]c1C#N	ZINC000354755854	356490578	/nfs/dbraw/zinc/49/05/78/356490578.db2.gz	AGKHPDRWYFMNRU-UHFFFAOYSA-N	-1	0	269.268	0.768	20	30		CCEDRM
COC(=O)c1cccc(C(=O)N=c2[n-]n(C)cc2C#N)c1	ZINC000354924747	356530360	/nfs/dbraw/zinc/53/03/60/356530360.db2.gz	STPQBVSAPKRRHK-UHFFFAOYSA-N	-1	0	284.275	0.753	20	30		CCEDRM
Cn1cc(C#N)c(=NC(=O)NCC2([S@](C)=O)CCC2)[n-]1	ZINC000619556343	366280927	/nfs/dbraw/zinc/28/09/27/366280927.db2.gz	HKPGUYJSNPNYFR-FQEVSTJZSA-N	-1	0	295.368	0.136	20	30		CCEDRM
CC#CCCNC(=O)N=c1ccc(C(=O)OC)n[n-]1	ZINC000619628701	366304747	/nfs/dbraw/zinc/30/47/47/366304747.db2.gz	UXSGLDYSGPIPJR-UHFFFAOYSA-N	-1	0	262.269	0.220	20	30		CCEDRM
CC#CCCCC(=O)N=c1ccc(C(=O)OC)n[n-]1	ZINC000619603368	366295416	/nfs/dbraw/zinc/29/54/16/366295416.db2.gz	XUDKRAHNSINTJL-UHFFFAOYSA-N	-1	0	261.281	0.817	20	30		CCEDRM
C=CCCCNC(=O)N=c1ccc(C(=O)OC)n[n-]1	ZINC000619635300	366307241	/nfs/dbraw/zinc/30/72/41/366307241.db2.gz	VPQPEXZLBDWHCH-UHFFFAOYSA-N	-1	0	264.285	0.773	20	30		CCEDRM
CC[C@@H](C)NC(=O)CCNC(=O)N=c1[n-]n(C)cc1C#N	ZINC000610562901	363577530	/nfs/dbraw/zinc/57/75/30/363577530.db2.gz	KFTXUOVNPKGIQD-SECBINFHSA-N	-1	0	292.343	0.140	20	30		CCEDRM
CO[C@@H](C)CCNC(=O)N=c1[n-]n(C)cc1C#N	ZINC000610561112	363576866	/nfs/dbraw/zinc/57/68/66/363576866.db2.gz	PFAWIJONYZQMMQ-QMMMGPOBSA-N	-1	0	251.290	0.260	20	30		CCEDRM
CC[C@H]1CN(C(=O)N=c2[n-]n(C)cc2C#N)C[C@H](C)O1	ZINC000610562705	363578018	/nfs/dbraw/zinc/57/80/18/363578018.db2.gz	CPEGYVTZLNBKDQ-ONGXEEELSA-N	-1	0	277.328	0.745	20	30		CCEDRM
Cc1cc(CNC(=O)N=c2[n-]n(C)cc2C#N)on1	ZINC000610565017	363579840	/nfs/dbraw/zinc/57/98/40/363579840.db2.gz	VIVVEVXQHGDKMF-UHFFFAOYSA-N	-1	0	260.257	0.332	20	30		CCEDRM
Cn1cc(C#N)c(=NC(=O)N2CCC(c3c[nH]cn3)CC2)[n-]1	ZINC000610584927	363581977	/nfs/dbraw/zinc/58/19/77/363581977.db2.gz	MVBPFOQTFWFETE-UHFFFAOYSA-N	-1	0	299.338	0.848	20	30		CCEDRM
CCC(C#N)(CC)C(=O)NCCc1nc(=O)o[n-]1	ZINC000392177076	357748980	/nfs/dbraw/zinc/74/89/80/357748980.db2.gz	XCRNOXINTZHPSG-UHFFFAOYSA-N	-1	0	252.274	0.352	20	30		CCEDRM
COCCC(C)(C)NC(=O)N=c1[n-]n(C)cc1C#N	ZINC000610634346	363588922	/nfs/dbraw/zinc/58/89/22/363588922.db2.gz	FPBBFIWUEPZIGA-UHFFFAOYSA-N	-1	0	265.317	0.650	20	30		CCEDRM
N#Cc1cn(C2CN(C(=O)CC3CCC3)C2)c(=O)[n-]c1=O	ZINC000530270204	358388059	/nfs/dbraw/zinc/38/80/59/358388059.db2.gz	ANVYGVRQGCZKBU-UHFFFAOYSA-N	-1	0	288.307	0.394	20	30		CCEDRM
CCCc1nc(C)c(Cn2c(=O)[n-]cc(C#N)c2=O)o1	ZINC000567859834	358601022	/nfs/dbraw/zinc/60/10/22/358601022.db2.gz	QNVIZZGFARAYHR-UHFFFAOYSA-N	-1	0	274.280	0.706	20	30		CCEDRM
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C=CCC[C@H](NS(=O)(=O)c1ccnn1CC)C(=O)[O-]	ZINC000581642750	359126489	/nfs/dbraw/zinc/12/64/89/359126489.db2.gz	UCWQIABLWVBPEL-VIFPVBQESA-N	-1	0	287.341	0.601	20	30		CCEDRM
Cn1cc(C#N)c(=NC(=O)NCC[C@@H](O)C(F)(F)F)[n-]1	ZINC000610876598	363624478	/nfs/dbraw/zinc/62/44/78/363624478.db2.gz	AOGZQGVAAANJOL-SSDOTTSWSA-N	-1	0	291.233	0.148	20	30		CCEDRM
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COC1([C@H](C)NC(=O)N=c2[n-]n(C)cc2C#N)CCC1	ZINC000591338109	359579594	/nfs/dbraw/zinc/57/95/94/359579594.db2.gz	GIOCAOYTDYPSNH-VIFPVBQESA-N	-1	0	277.328	0.793	20	30		CCEDRM
C[C@@]1(C#N)CCCN(C(=O)C(=O)N2CC[C@H](C(=O)[O-])C2)C1	ZINC000591568479	359600264	/nfs/dbraw/zinc/60/02/64/359600264.db2.gz	NSSUQTQYIXRPNU-HZMBPMFUSA-N	-1	0	293.323	0.072	20	30		CCEDRM
N#Cc1c[n-]c(=O)n(CCc2ccc3c(c2)CCO3)c1=O	ZINC000592354941	359823689	/nfs/dbraw/zinc/82/36/89/359823689.db2.gz	CGFDHUQWINMGOZ-UHFFFAOYSA-N	-1	0	283.287	0.586	20	30		CCEDRM
CC(C)(C)CN(CCC#N)C(=O)c1n[nH]c(=O)[n-]c1=O	ZINC000611219651	363685980	/nfs/dbraw/zinc/68/59/80/363685980.db2.gz	JSXYQQCYGWYWRL-UHFFFAOYSA-N	-1	0	279.300	0.685	20	30		CCEDRM
C[C@@H](C(=O)[O-])C1(NS(=O)(=O)CC2(CC#N)CC2)CC1	ZINC000593275923	360059637	/nfs/dbraw/zinc/05/96/37/360059637.db2.gz	ZSHNGWCPVKLFRQ-VIFPVBQESA-N	-1	0	286.353	0.853	20	30		CCEDRM
C[C@H](C(=O)[O-])C1(NS(=O)(=O)CCCC#N)CC1	ZINC000593273338	360059835	/nfs/dbraw/zinc/05/98/35/360059835.db2.gz	IHBCCQWIWAQMPP-MRVPVSSYSA-N	-1	0	260.315	0.463	20	30		CCEDRM
CC[C@H](C#N)C(=O)N1CCC[C@H](c2n[nH]c(=O)[n-]2)C1	ZINC000593688063	360136370	/nfs/dbraw/zinc/13/63/70/360136370.db2.gz	HMYKLHKKNYPFJD-BDAKNGLRSA-N	-1	0	263.301	0.766	20	30		CCEDRM
C[C@@H](CNS(=O)(=O)CC1(C#N)CCC1)C(=O)[O-]	ZINC000593943627	360221116	/nfs/dbraw/zinc/22/11/16/360221116.db2.gz	MZQRJCMGKGHXNX-QMMMGPOBSA-N	-1	0	260.315	0.320	20	30		CCEDRM
C[C@@H](C#N)CN(C)S(=O)(=O)N(CC(=O)[O-])C1CCC1	ZINC000593943939	360221195	/nfs/dbraw/zinc/22/11/95/360221195.db2.gz	HDPZSIIIWAWKNO-VIFPVBQESA-N	-1	0	289.357	0.262	20	30		CCEDRM
C[C@@H]1[C@H](C)OCCN1C(=O)N=c1[n-]n(C)cc1C#N	ZINC000611519414	363731961	/nfs/dbraw/zinc/73/19/61/363731961.db2.gz	BDOOLRJFDHKIOM-BDAKNGLRSA-N	-1	0	263.301	0.355	20	30		CCEDRM
CC(C)[C@@H](NC(=O)CC1(C#N)CCOCC1)C(=O)[O-]	ZINC000595281544	360477385	/nfs/dbraw/zinc/47/73/85/360477385.db2.gz	MQIKQVJRIXEUNH-LLVKDONJSA-N	-1	0	268.313	0.922	20	30		CCEDRM
N#CC1(CC(=O)N2CCC[C@H]2C(=O)[O-])CCOCC1	ZINC000595281795	360477876	/nfs/dbraw/zinc/47/78/76/360477876.db2.gz	QXFSZXYLPUGPMB-JTQLQIEISA-N	-1	0	266.297	0.772	20	30		CCEDRM
N#Cc1c(F)cccc1O[C@@H]1CCN(CC(=O)[O-])C1=O	ZINC000596012327	360775466	/nfs/dbraw/zinc/77/54/66/360775466.db2.gz	IZUKXUKSVBUTQR-LLVKDONJSA-N	-1	0	278.239	0.762	20	30		CCEDRM
CO[C@H](C(=O)N=c1[nH][n-]c(C2CC2)c1C#N)[C@H]1CCOC1	ZINC000598733802	361500769	/nfs/dbraw/zinc/50/07/69/361500769.db2.gz	FIOZFLCQDYUTLI-CABZTGNLSA-N	-1	0	290.323	0.571	20	30		CCEDRM
CN1C[C@H](C(=O)N=c2[nH][n-]cc2C#N)c2ccccc2C1=O	ZINC000598911375	361530605	/nfs/dbraw/zinc/53/06/05/361530605.db2.gz	COQMHWPYVMMKRG-LBPRGKRZSA-N	-1	0	295.302	0.511	20	30		CCEDRM
CC#CCC[N-]S(=O)(=O)c1nn(C)cc1[N+](=O)[O-]	ZINC000599274253	361628448	/nfs/dbraw/zinc/62/84/48/361628448.db2.gz	OSHRNMJXNIEHND-UHFFFAOYSA-N	-1	0	272.286	0.020	20	30		CCEDRM
COC(=O)c1cc(S(=O)(=O)[N-]CCCCC#N)on1	ZINC000599229638	361616465	/nfs/dbraw/zinc/61/64/65/361616465.db2.gz	GPLMHRMXPWRJNF-UHFFFAOYSA-N	-1	0	287.297	0.433	20	30		CCEDRM
C=C[C@@H](C)[N-]S(=O)(=O)c1nn(C)cc1[N+](=O)[O-]	ZINC000599259568	361624449	/nfs/dbraw/zinc/62/44/49/361624449.db2.gz	ZPGSKTLBEUWKRD-ZCFIWIBFSA-N	-1	0	260.275	0.181	20	30		CCEDRM
C=CCCC[C@@H](C)NC(=O)C(=O)NC[C@H](C)C(=O)[O-]	ZINC000655986728	412726506	/nfs/dbraw/zinc/72/65/06/412726506.db2.gz	HHCWRYHBRFRTDO-VHSXEESVSA-N	-1	0	270.329	0.684	20	30		CCEDRM
N#Cc1ccc(C(=O)NCc2n[nH]c(=O)[n-]2)cc1Cl	ZINC000614629175	364686121	/nfs/dbraw/zinc/68/61/21/364686121.db2.gz	OORAIJNLNMTMQN-UHFFFAOYSA-N	-1	0	277.671	0.965	20	30		CCEDRM
CO[C@@H]1CN(C(=O)N=c2[n-]n(C)cc2C#N)CC[C@@H]1C	ZINC000615253049	364896402	/nfs/dbraw/zinc/89/64/02/364896402.db2.gz	GOMORELRLOOLDZ-GXSJLCMTSA-N	-1	0	277.328	0.602	20	30		CCEDRM
C=CC(C)(C)CCNC(=O)C(=O)N1CC[C@H](C(=O)[O-])C1	ZINC000627280687	368943192	/nfs/dbraw/zinc/94/31/92/368943192.db2.gz	MOLIADKZAKPQRM-JTQLQIEISA-N	-1	0	282.340	0.638	20	30		CCEDRM
C=C(C)C[C@H](NC(=O)CCn1cncn1)C(=O)[O-]	ZINC000630318878	370045752	/nfs/dbraw/zinc/04/57/52/370045752.db2.gz	NTSUGLDUWDVAGR-VIFPVBQESA-N	-1	0	252.274	0.204	20	30		CCEDRM
C=C(C)C[C@H](NC(=O)c1cc[nH]c(=O)c1)C(=O)[O-]	ZINC000630320561	370046036	/nfs/dbraw/zinc/04/60/36/370046036.db2.gz	ZGFCXWUTLSXMTQ-VIFPVBQESA-N	-1	0	250.254	0.936	20	30		CCEDRM
C=CCn1cc(C(=O)N[C@H](CC(=C)C)C(=O)[O-])nn1	ZINC000630321601	370046952	/nfs/dbraw/zinc/04/69/52/370046952.db2.gz	KHJUMOLGMFWBHM-SECBINFHSA-N	-1	0	264.285	0.613	20	30		CCEDRM
C=C(C)C[C@@H](NC(=O)CNC(=O)CCC)C(=O)[O-]	ZINC000630325748	370047409	/nfs/dbraw/zinc/04/74/09/370047409.db2.gz	KXZGNDRYEGEVEU-SECBINFHSA-N	-1	0	256.302	0.438	20	30		CCEDRM
C=C(C)C[C@H](NS(=O)(=O)[C@@H]1CCO[C@H]1C)C(=O)[O-]	ZINC000630437985	370116091	/nfs/dbraw/zinc/11/60/91/370116091.db2.gz	KFEAOXPQGCBOJM-LPEHRKFASA-N	-1	0	277.342	0.503	20	30		CCEDRM
C=C(C)CS(=O)(=O)N[C@@H](C(=O)[O-])[C@H]1CCCO1	ZINC000630421813	370107368	/nfs/dbraw/zinc/10/73/68/370107368.db2.gz	IBYMAKBJVJYBSO-RKDXNWHRSA-N	-1	0	263.315	0.114	20	30		CCEDRM
C=C(C)C[C@@H](NC(=O)NC[C@@H](C)COC)C(=O)[O-]	ZINC000630479536	370130402	/nfs/dbraw/zinc/13/04/02/370130402.db2.gz	GJZUWVXYPNWGFQ-NXEZZACHSA-N	-1	0	258.318	0.988	20	30		CCEDRM
C=CCOC[C@H](NC(=O)N[C@H]1CO[C@@H](C2CC2)C1)C(=O)[O-]	ZINC000630494423	370134835	/nfs/dbraw/zinc/13/48/35/370134835.db2.gz	PSOHLODCTJTEFY-GRYCIOLGSA-N	-1	0	298.339	0.509	20	30		CCEDRM
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C=CCCNC(=O)N1CC[C@H](OC)C[C@H]1C(=O)[O-]	ZINC000656588307	412830982	/nfs/dbraw/zinc/83/09/82/412830982.db2.gz	IWOIWSUGPRLMBG-UWVGGRQHSA-N	-1	0	256.302	0.836	20	30		CCEDRM
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CC[C@H](CS(=O)(=O)[N-]c1n[nH]cc1C#N)OC	ZINC000572025613	291853288	/nfs/dbraw/zinc/85/32/88/291853288.db2.gz	SIWNPWUKEUTAMD-MRVPVSSYSA-N	-1	0	258.303	0.448	20	30		CCEDRM
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CC#CCNC(=O)Cc1c(C)nc2cc[n-]n2c1=O	ZINC000342991070	389256476	/nfs/dbraw/zinc/25/64/76/389256476.db2.gz	BIVRBMGSWPAYQB-UHFFFAOYSA-N	-1	0	258.281	0.013	20	30		CCEDRM
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C=C[C@H](CO)NC(=O)c1ccc([O-])c([N+](=O)[O-])c1	ZINC000436928717	389987027	/nfs/dbraw/zinc/98/70/27/389987027.db2.gz	BXPKOTDPUDIKLL-MRVPVSSYSA-N	-1	0	252.226	0.577	20	30		CCEDRM
Cc1oc(C#N)cc1C(=O)NCCc1nc(=O)o[n-]1	ZINC000437184515	389992110	/nfs/dbraw/zinc/99/21/10/389992110.db2.gz	ZSABWISEBALELQ-UHFFFAOYSA-N	-1	0	262.225	0.109	20	30		CCEDRM
C=CCCCCNC(=O)C(=O)NCCCC(=O)[O-]	ZINC000420589521	390014529	/nfs/dbraw/zinc/01/45/29/390014529.db2.gz	IRJJLLOWFXLESS-UHFFFAOYSA-N	-1	0	256.302	0.440	20	30		CCEDRM
C=C(C)CS(=O)(=O)NC[C@H]1CCC[C@H]1C(=O)[O-]	ZINC000579246189	390156574	/nfs/dbraw/zinc/15/65/74/390156574.db2.gz	IPWZZVBXSKHKFQ-NXEZZACHSA-N	-1	0	261.343	0.983	20	30		CCEDRM
C=CCn1cc(C(=O)NC[C@H](CC(C)C)C(=O)[O-])nn1	ZINC000647743692	390157131	/nfs/dbraw/zinc/15/71/31/390157131.db2.gz	XADVRFLSJIQADL-JTQLQIEISA-N	-1	0	280.328	0.941	20	30		CCEDRM
C[C@H](CCNS(=O)(=O)N(C)C[C@H](C)C#N)CC(=O)[O-]	ZINC000579360311	390165653	/nfs/dbraw/zinc/16/56/53/390165653.db2.gz	CDABLOAOOLNMFJ-NXEZZACHSA-N	-1	0	291.373	0.413	20	30		CCEDRM
Cc1nc(C(=O)N2CCC[C@H](c3nnn[n-]3)C2)ccc1C#N	ZINC000539324568	390203701	/nfs/dbraw/zinc/20/37/01/390203701.db2.gz	PYGXJZATAYRPQV-NSHDSACASA-N	-1	0	297.322	0.795	20	30		CCEDRM
C=C[C@@H]1OCC[C@H]1CNC(=O)N=c1nc2ccccn2[n-]1	ZINC000579703487	390198732	/nfs/dbraw/zinc/19/87/32/390198732.db2.gz	GUPRJFSFDYOFKR-QWRGUYRKSA-N	-1	0	287.323	0.864	20	30		CCEDRM
C#CCO[N-]C(=O)[C@H]1CCO[C@@H]1CNC(=O)OC(C)(C)C	ZINC000496081587	390295966	/nfs/dbraw/zinc/29/59/66/390295966.db2.gz	JPBUMYFJKFVDIK-WDEREUQCSA-N	-1	0	298.339	0.597	20	30		CCEDRM
C[C@H](CC#N)N(C)S(=O)(=O)N[C@H]1C=C[C@@H](C(=O)[O-])C1	ZINC000583325703	390283982	/nfs/dbraw/zinc/28/39/82/390283982.db2.gz	WCXBTCYDKJTLQD-BBBLOLIVSA-N	-1	0	287.341	0.084	20	30		CCEDRM
C[C@H](CN(C)S(=O)(=O)c1ccsc1C#N)C(=O)[O-]	ZINC000593269689	390365736	/nfs/dbraw/zinc/36/57/36/390365736.db2.gz	OFHUYNWIICXUMU-SSDOTTSWSA-N	-1	0	288.350	0.961	20	30		CCEDRM
C[C@H](CCC(=O)[O-])CNS(=O)(=O)N(C)C[C@H](C)C#N	ZINC000584354301	390338569	/nfs/dbraw/zinc/33/85/69/390338569.db2.gz	IVTVPVOQWHPHRL-NXEZZACHSA-N	-1	0	291.373	0.413	20	30		CCEDRM
CN(CC(=O)[O-])S(=O)(=O)c1ccc(C#N)cc1F	ZINC000547876939	390406576	/nfs/dbraw/zinc/40/65/76/390406576.db2.gz	RMBKOBJKSWCWHN-UHFFFAOYSA-N	-1	0	272.257	0.402	20	30		CCEDRM
CC(C)(C)OC(=O)N1CC[C@H](C=Nn2c(=O)[n-][nH]c2=O)C1	ZINC000496902270	390381841	/nfs/dbraw/zinc/38/18/41/390381841.db2.gz	MURREMXYNBJXBH-MRVPVSSYSA-N	-1	0	297.315	0.780	20	30		CCEDRM
CC(C)(C)OC(=O)N1CC[C@@H](C=Nn2c(=O)[n-][nH]c2=O)C1	ZINC000496902278	390381865	/nfs/dbraw/zinc/38/18/65/390381865.db2.gz	MURREMXYNBJXBH-QMMMGPOBSA-N	-1	0	297.315	0.780	20	30		CCEDRM
C=CCC[C@H](NS(=O)(=O)CCOCC1CC1)C(=O)[O-]	ZINC000516563318	390482264	/nfs/dbraw/zinc/48/22/64/390482264.db2.gz	DHEIPTUVLHEDBS-NSHDSACASA-N	-1	0	291.369	0.752	20	30		CCEDRM
C=CCOCC(=O)N1CCC[C@@]1(COC)C(=O)[O-]	ZINC000643849913	390582535	/nfs/dbraw/zinc/58/25/35/390582535.db2.gz	HXAYEHIGWJPZSB-GFCCVEGCSA-N	-1	0	257.286	0.281	20	30		CCEDRM
C=CCn1cc(C(=O)N[C@H](CC2CC2)C(=O)[O-])nn1	ZINC000649248087	390536579	/nfs/dbraw/zinc/53/65/79/390536579.db2.gz	XHYHHNNFRHDRIP-SECBINFHSA-N	-1	0	264.285	0.447	20	30		CCEDRM
C=C(C)CN(C)S(=O)(=O)N1CCC[C@H]1C(=O)[O-]	ZINC000645986815	390559654	/nfs/dbraw/zinc/55/96/54/390559654.db2.gz	LUPUWVUHLWCZRR-VIFPVBQESA-N	-1	0	262.331	0.288	20	30		CCEDRM
CC(C)C[C@@H](C)N(C)C(=O)Cn1c(=O)[n-]cc(C#N)c1=O	ZINC000566560710	390629068	/nfs/dbraw/zinc/62/90/68/390629068.db2.gz	CISFAZSUIARLKI-SNVBAGLBSA-N	-1	0	292.339	0.301	20	30		CCEDRM
N#CC1(CS(=O)(=O)NCCCC(=O)[O-])CCC1	ZINC000566240636	390595871	/nfs/dbraw/zinc/59/58/71/390595871.db2.gz	ISOGNCNNXMZSSQ-UHFFFAOYSA-N	-1	0	260.315	0.464	20	30		CCEDRM
C=C(C)CS(=O)(=O)N[C@H](CC(=O)CC)C(=O)[O-]	ZINC000568001687	390711904	/nfs/dbraw/zinc/71/19/04/390711904.db2.gz	FJVZCNAVGCZRSC-SECBINFHSA-N	-1	0	263.315	0.304	20	30		CCEDRM
CC[C@@]1(C(=O)[O-])CCCN1S(=O)(=O)CC1(C#N)CC1	ZINC000526060721	390675362	/nfs/dbraw/zinc/67/53/62/390675362.db2.gz	SKLDXZJLBMACKK-LBPRGKRZSA-N	-1	0	286.353	0.949	20	30		CCEDRM
CC#CC[C@@H](CO)NC(=O)N=c1nc([C@@H](C)OC)[n-]s1	ZINC000646407223	390678164	/nfs/dbraw/zinc/67/81/64/390678164.db2.gz	LDZMKOQXEUIUAM-BDAKNGLRSA-N	-1	0	298.368	0.563	20	30		CCEDRM
C=CCOC[C@H](NS(=O)(=O)CCC(C)C)C(=O)[O-]	ZINC000567468628	390699950	/nfs/dbraw/zinc/69/99/50/390699950.db2.gz	YZIPCJTVKRUSEY-JTQLQIEISA-N	-1	0	279.358	0.608	20	30		CCEDRM
N#Cc1nc(NC(=O)C[C@@H]2CSCC[NH2+]2)[n-]c1C#N	ZINC000571797299	390753775	/nfs/dbraw/zinc/75/37/75/390753775.db2.gz	SRDJKJPQVQCARX-SSDOTTSWSA-N	-1	0	276.325	0.187	20	30		CCEDRM
C=CCNc1ncc(C(=O)N(C)CC(=O)[O-])s1	ZINC000647200316	390787007	/nfs/dbraw/zinc/78/70/07/390787007.db2.gz	ZBUTYLGOEMLBNP-UHFFFAOYSA-N	-1	0	255.299	0.320	20	30		CCEDRM
C=CCCS(=O)(=O)N[C@H](C(=O)[O-])c1cnn(C)c1C	ZINC000530488751	390876799	/nfs/dbraw/zinc/87/67/99/390876799.db2.gz	UNPHSJLSLOEOHO-JTQLQIEISA-N	-1	0	287.341	0.350	20	30		CCEDRM
C=CCC[C@H](NC(=O)Cc1nc(C2CC2)nn1C)C(=O)[O-]	ZINC000647598239	390847824	/nfs/dbraw/zinc/84/78/24/390847824.db2.gz	JADGVPWENFEYKC-JTQLQIEISA-N	-1	0	292.339	0.771	20	30		CCEDRM
C#Cc1cccc(NC(=O)CNC(=O)[C@@H]2C[C@H]2C(=O)[O-])c1	ZINC000262651176	131247048	/nfs/dbraw/zinc/24/70/48/131247048.db2.gz	RXBYGZLCJCMGMS-VXGBXAGGSA-N	-1	0	286.287	0.443	20	30		CCEDRM
CO[C@H](C(=O)N=c1[nH][n-]c(C)c1C#N)c1cnn(C)c1	ZINC000357236191	144071932	/nfs/dbraw/zinc/07/19/32/144071932.db2.gz	YIYDIWKYUHBZBT-JTQLQIEISA-N	-1	0	274.284	0.071	20	30		CCEDRM
Cc1oc(C#N)cc1C(=O)[N-]S(=O)(=O)[C@@H]1CCOC1	ZINC000408489799	144476771	/nfs/dbraw/zinc/47/67/71/144476771.db2.gz	WEQYYQJNSMYSMA-SECBINFHSA-N	-1	0	284.293	0.308	20	30		CCEDRM
C=C[C@@](C)(CC)C(=O)N=c1ccc(C(=O)NC)n[n-]1	ZINC000650818479	397767468	/nfs/dbraw/zinc/76/74/68/397767468.db2.gz	MQHGRSJNVVGUQO-ZDUSSCGKSA-N	-1	0	262.313	0.799	20	30		CCEDRM
N#Cc1ccc(S(=O)(=O)N2CC(C(=O)[O-])C2)c(F)c1	ZINC000547886336	285986253	/nfs/dbraw/zinc/98/62/53/285986253.db2.gz	XENGEMVUNJPPSX-UHFFFAOYSA-N	-1	0	284.268	0.402	20	30		CCEDRM
C=CCOC[C@@H](NC(=O)C1CC2(CC2)C1)C(=O)[O-]	ZINC000659157057	413317642	/nfs/dbraw/zinc/31/76/42/413317642.db2.gz	QMUJMYHBBQELCP-SNVBAGLBSA-N	-1	0	253.298	0.949	20	30		CCEDRM
CN(CC(=O)[O-])S(=O)(=O)Cc1ccc(C#N)cc1	ZINC000021817936	171333138	/nfs/dbraw/zinc/33/31/38/171333138.db2.gz	ZSDGFZBPCNJENS-UHFFFAOYSA-N	-1	0	268.294	0.404	20	30		CCEDRM
C=CCCOCC(=O)N1C[C@H](OC)C[C@@H]1CC(=O)[O-]	ZINC000653668236	412334372	/nfs/dbraw/zinc/33/43/72/412334372.db2.gz	ZVNLJSRMXGLRSI-GHMZBOCLSA-N	-1	0	271.313	0.670	20	30		CCEDRM
C=CCOCCNC(=O)N[C@@H](C/C=C/C)C(=O)[O-]	ZINC000654813996	412440876	/nfs/dbraw/zinc/44/08/76/412440876.db2.gz	OCGWTIVATRJILP-GFAPAMAISA-N	-1	0	256.302	0.908	20	30		CCEDRM
C=C(C)CN(CC)C(=O)CN1CCC[C@@H]1C(=O)[O-]	ZINC000035301540	172115472	/nfs/dbraw/zinc/11/54/72/172115472.db2.gz	MRJVSZYIXCIXNM-LLVKDONJSA-N	-1	0	254.330	0.960	20	30		CCEDRM
C=CCCNC(=O)C(=O)N1CCC[C@@H](CC(=O)[O-])C1	ZINC000659664016	413760721	/nfs/dbraw/zinc/76/07/21/413760721.db2.gz	NIRVNELTJQOGCS-JTQLQIEISA-N	-1	0	268.313	0.392	20	30		CCEDRM
C=CCCn1cc(C(=O)N(CC)[C@H](C)C(=O)[O-])nn1	ZINC000659771369	413864936	/nfs/dbraw/zinc/86/49/36/413864936.db2.gz	UOSHQKKQZSNMDY-SECBINFHSA-N	-1	0	266.301	0.789	20	30		CCEDRM
N#CCCN(CCC#N)C(=O)CSCC(=O)[O-]	ZINC000037116635	172967455	/nfs/dbraw/zinc/96/74/55/172967455.db2.gz	QSHBXKUOJFZVHK-UHFFFAOYSA-N	-1	0	255.299	0.460	20	30		CCEDRM
C[C@@H](NC(=O)[C@@H](C)Oc1ccc(C#N)cc1)C(=O)[O-]	ZINC000037410223	173186381	/nfs/dbraw/zinc/18/63/81/173186381.db2.gz	DJHMAOLRGQFZSY-RKDXNWHRSA-N	-1	0	262.265	0.915	20	30		CCEDRM
C=CCCNC(=O)C(=O)NC[C@@H](C(=O)[O-])C1CCC1	ZINC000663628557	415099406	/nfs/dbraw/zinc/09/94/06/415099406.db2.gz	FXPPJZAPGUVKSZ-SNVBAGLBSA-N	-1	0	268.313	0.296	20	30		CCEDRM
C=CC[C@H](CO)NC(=O)NC[C@@H](C(=O)[O-])C1CCC1	ZINC000665319942	415598127	/nfs/dbraw/zinc/59/81/27/415598127.db2.gz	BTHYCBLFVKZFGZ-GHMZBOCLSA-N	-1	0	270.329	0.724	20	30		CCEDRM
C[C@H](NC(=O)N=c1cn[n-]s1)C(=O)N1CCOCC1	ZINC000330270748	228087433	/nfs/dbraw/zinc/08/74/33/228087433.db2.gz	UTLDMQYUHDGLHV-ZETCQYMHSA-N	-1	0	285.329	0.111	20	30		CCEDRM
Cc1nn2c([n-]nc2SCC2(C#N)CCC2)nc1=O	ZINC000333749878	228212420	/nfs/dbraw/zinc/21/24/20/228212420.db2.gz	XLIWDQWDVMZPJC-UHFFFAOYSA-N	-1	0	276.325	0.907	20	30		CCEDRM
C=CCOCCNC(=O)N1CCC(C(=O)[O-])CC1	ZINC000310691784	545011325	/nfs/dbraw/zinc/01/13/25/545011325.db2.gz	XSVHOETZQGIRKT-UHFFFAOYSA-N	-1	0	256.302	0.695	20	30		CCEDRM
O=C(NCc1n[nH]c(=O)[n-]1)[C@@H]1COCCN1C1CCCC1	ZINC000329303429	545021635	/nfs/dbraw/zinc/02/16/35/545021635.db2.gz	XHGXEQYFCKFXAV-JTQLQIEISA-N	-1	0	295.343	0.610	20	30		CCEDRM
N#C[C@H]1COCCN1C(=O)c1ccc([N+](=O)[O-])cc1[O-]	ZINC000187268675	260030815	/nfs/dbraw/zinc/03/08/15/260030815.db2.gz	CWPQBJMCDNLVOH-VIFPVBQESA-N	-1	0	277.236	0.665	20	30		CCEDRM
C#CCN(CC#N)S(=O)(=O)c1ccc(C(=O)[O-])c(C)c1	ZINC000312816638	260207554	/nfs/dbraw/zinc/20/75/54/260207554.db2.gz	SJIPLSIBNLBBIH-UHFFFAOYSA-N	-1	0	292.316	0.841	20	30		CCEDRM
C[C@@]1(C(=O)[O-])CCCN1S(=O)(=O)CCCCC#N	ZINC000364465768	262246173	/nfs/dbraw/zinc/24/61/73/262246173.db2.gz	QAXSSSBWHQOXRE-NSHDSACASA-N	-1	0	274.342	0.949	20	30		CCEDRM
C[C@@H](C#N)NC(=O)c1c[nH]c2nc(=O)[n-]c(=O)c-2c1	ZINC000340432695	263143427	/nfs/dbraw/zinc/14/34/27/263143427.db2.gz	GZZFLYMZPLROOJ-YFKPBYRVSA-N	-1	0	259.225	0.078	20	30		CCEDRM
CN(CCC#N)S(=O)(=O)NCc1ccc(C(=O)[O-])cc1	ZINC000340452442	263156557	/nfs/dbraw/zinc/15/65/57/263156557.db2.gz	RJZMTTKLYCVQTB-UHFFFAOYSA-N	-1	0	297.336	0.565	20	30		CCEDRM
N#Cc1c[nH]nc1[N-]S(=O)(=O)c1ccc(C#N)nc1	ZINC000091052675	269950502	/nfs/dbraw/zinc/95/05/02/269950502.db2.gz	SMJXRLVFBNBIIG-UHFFFAOYSA-N	-1	0	274.265	0.349	20	30		CCEDRM
C[C@H](C#N)C(=O)N1CCC[C@@H]1CN(C)Cc1n[nH]c(=O)[n-]1	ZINC000960498768	649854777	/nfs/dbraw/zinc/85/47/77/649854777.db2.gz	DCQBICRQAXLVIJ-NXEZZACHSA-N	-1	0	292.343	0.093	20	30		CCEDRM
C=CC[C@H](NS(=O)(=O)N1CCCCCC1)C(=O)[O-]	ZINC000161284907	264279266	/nfs/dbraw/zinc/27/92/66/264279266.db2.gz	VITQJTBUNALIGM-JTQLQIEISA-N	-1	0	276.358	0.726	20	30		CCEDRM
C#CC[C@@H](NS(=O)(=O)Cc1ccccc1)C(=O)[O-]	ZINC000161243394	264279769	/nfs/dbraw/zinc/27/97/69/264279769.db2.gz	QVSWWCWZRCDAMZ-LLVKDONJSA-N	-1	0	267.306	0.583	20	30		CCEDRM
C=CCCO[C@@H](C)C(=O)NCCc1nc(=O)o[n-]1	ZINC000280180257	264436223	/nfs/dbraw/zinc/43/62/23/264436223.db2.gz	SZSHRBZHDOWRPD-QMMMGPOBSA-N	-1	0	255.274	0.003	20	30		CCEDRM
CCCCNC(=O)N1CC(n2cc(C#N)c(=O)[n-]c2=O)C1	ZINC000527641763	267009413	/nfs/dbraw/zinc/00/94/13/267009413.db2.gz	VZCMDMAFOGOYIR-UHFFFAOYSA-N	-1	0	291.311	0.187	20	30		CCEDRM
C=CCN(CC(=O)[O-])C(=O)[C@H]1C[C@@H]1c1cnn(C)c1	ZINC000372900680	267614699	/nfs/dbraw/zinc/61/46/99/267614699.db2.gz	GKTKGGFCEGKGPA-MNOVXSKESA-N	-1	0	263.297	0.623	20	30		CCEDRM
C[C@H](C(=O)Nc1nc(C#N)c(C#N)[n-]1)c1cnn(C)c1	ZINC000530941680	267810818	/nfs/dbraw/zinc/81/08/18/267810818.db2.gz	AKVJSWVXCRLZEF-ZETCQYMHSA-N	-1	0	269.268	0.629	20	30		CCEDRM
COc1ccc(=NC(=O)N[C@H]2CCCn3ncnc32)[n-]n1	ZINC000330250305	295064433	/nfs/dbraw/zinc/06/44/33/295064433.db2.gz	MYFLDCPMCOXOSG-QMMMGPOBSA-N	-1	0	289.299	0.360	20	30		CCEDRM
C=CCOCCNC(=O)N1CCC[C@@]1(C)C(=O)[O-]	ZINC000385496909	545085722	/nfs/dbraw/zinc/08/57/22/545085722.db2.gz	RRFQVQVMMIHHIP-LBPRGKRZSA-N	-1	0	256.302	0.838	20	30		CCEDRM
C[C@H](CN1CCOCC1)C(=O)Nc1nc(C#N)c(C#N)[n-]1	ZINC000273135266	298628412	/nfs/dbraw/zinc/62/84/12/298628412.db2.gz	VRRMLSLMMWEIOS-SECBINFHSA-N	-1	0	288.311	0.060	20	30		CCEDRM
N#Cc1ccccc1S(=O)(=O)N1CSC[C@@H]1C(=O)[O-]	ZINC000021035815	303207704	/nfs/dbraw/zinc/20/77/04/303207704.db2.gz	KTLMYBQODHXVKH-SECBINFHSA-N	-1	0	298.345	0.706	20	30		CCEDRM
C=C(C)[C@H]1OCC[C@H]1C(=O)N[C@H]1C[C@@H](C(=O)[O-])C1	ZINC000580078423	327692339	/nfs/dbraw/zinc/69/23/39/327692339.db2.gz	BVGRCHJFZWJCGK-LMLFDSFASA-N	-1	0	253.298	0.947	20	30		CCEDRM
C=CCCCN(C)C(=O)C(=O)N1CC[C@@H](C)[C@@H](C(=O)[O-])C1	ZINC000582063022	327826272	/nfs/dbraw/zinc/82/62/72/327826272.db2.gz	LSNHWCHHBXXURD-NEPJUHHUSA-N	-1	0	296.367	0.980	20	30		CCEDRM
Cc1c(C(=O)[O-])cccc1S(=O)(=O)NCCC#N	ZINC000111311426	327887856	/nfs/dbraw/zinc/88/78/56/327887856.db2.gz	IUMPQBFNOMWKPM-UHFFFAOYSA-N	-1	0	268.294	0.885	20	30		CCEDRM
C=CCOC[C@@H](NC(=O)NCCCSC)C(=O)[O-]	ZINC000575737196	328084156	/nfs/dbraw/zinc/08/41/56/328084156.db2.gz	RKHJHHUSZCKRNJ-SECBINFHSA-N	-1	0	276.358	0.695	20	30		CCEDRM
C=CCn1c(C)nnc1SCc1n[nH]c(=O)[n-]1	ZINC000092869920	328503713	/nfs/dbraw/zinc/50/37/13/328503713.db2.gz	KBFFRWQKXSSCPY-UHFFFAOYSA-N	-1	0	252.303	0.476	20	30		CCEDRM
C=CCN(CC(=O)[O-])S(=O)(=O)Cc1cccc(C#N)c1	ZINC000092463809	327103497	/nfs/dbraw/zinc/10/34/97/327103497.db2.gz	MCNXKQVPCVXHHJ-UHFFFAOYSA-N	-1	0	294.332	0.961	20	30		CCEDRM
C=C(C)[C@@H]1OCC[C@H]1CNC(=O)N[C@H](C)C(=O)[O-]	ZINC000560488324	327313678	/nfs/dbraw/zinc/31/36/78/327313678.db2.gz	XMOICYNDNWZHIC-UTLUCORTSA-N	-1	0	256.302	0.740	20	30		CCEDRM
CC1(C)CCN(S(=O)(=O)CCCC#N)[C@H]1C(=O)[O-]	ZINC000560889114	327350146	/nfs/dbraw/zinc/35/01/46/327350146.db2.gz	RYKDFFPNCAHYET-VIFPVBQESA-N	-1	0	274.342	0.805	20	30		CCEDRM
C=CCCCS(=O)(=O)N[C@H](C(=O)[O-])[C@H]1CCOC1	ZINC000574822426	327383385	/nfs/dbraw/zinc/38/33/85/327383385.db2.gz	VNSYVWFQGAGROP-UWVGGRQHSA-N	-1	0	277.342	0.362	20	30		CCEDRM
CC[C@@H](NS(=O)(=O)N(CC)C[C@@H](C)C#N)C(=O)[O-]	ZINC000562797557	327515579	/nfs/dbraw/zinc/51/55/79/327515579.db2.gz	AISFWFXEDZTLRX-DTWKUNHWSA-N	-1	0	277.346	0.166	20	30		CCEDRM
CN=c1[n-]nc(CC(=O)NC2(C#N)CCC2)s1	ZINC000352433552	328750606	/nfs/dbraw/zinc/75/06/06/328750606.db2.gz	WBYHGXLJYXTDAC-UHFFFAOYSA-N	-1	0	251.315	0.107	20	30		CCEDRM
C=C(C)CS(=O)(=O)N1CCC[C@H]([C@H](O)C(=O)[O-])C1	ZINC000584540800	329519364	/nfs/dbraw/zinc/51/93/64/329519364.db2.gz	LCLVTHRSGCQIAW-UWVGGRQHSA-N	-1	0	277.342	0.050	20	30		CCEDRM
C=C(C)COCCNC(=O)C(=O)N1CCC[C@@H](C(=O)[O-])C1	ZINC000420560775	329774620	/nfs/dbraw/zinc/77/46/20/329774620.db2.gz	NKPFAIAOAMWETJ-LLVKDONJSA-N	-1	0	298.339	0.019	20	30		CCEDRM
C=CC[C@@H](CC)NC(=O)C(=O)NCCCC(=O)[O-]	ZINC000420564352	329774854	/nfs/dbraw/zinc/77/48/54/329774854.db2.gz	PYQDYOIJHVZJJR-SECBINFHSA-N	-1	0	256.302	0.438	20	30		CCEDRM
CC(C)(CC#N)CNC(=O)C(=O)N1CCC[C@@H](C(=O)[O-])C1	ZINC000420575623	329779548	/nfs/dbraw/zinc/77/95/48/329779548.db2.gz	AOCDZIRFSCSWEX-SNVBAGLBSA-N	-1	0	295.339	0.366	20	30		CCEDRM
CCC[C@@H](NS(=O)(=O)CC1(C#N)CC1)C(=O)[O-]	ZINC000262348760	330007453	/nfs/dbraw/zinc/00/74/53/330007453.db2.gz	ARCDVTLWXSFOHI-MRVPVSSYSA-N	-1	0	260.315	0.463	20	30		CCEDRM
CCCC[C@H](NS(=O)(=O)CCCC#N)C(=O)[O-]	ZINC000262486462	330016940	/nfs/dbraw/zinc/01/69/40/330016940.db2.gz	SRHXXJQHWLKKHN-VIFPVBQESA-N	-1	0	262.331	0.853	20	30		CCEDRM
N#CC1(CS(=O)(=O)N2CCCC[C@@H]2C(=O)[O-])CC1	ZINC000262499216	330017891	/nfs/dbraw/zinc/01/78/91/330017891.db2.gz	YWDSJCZMCSUEKR-SECBINFHSA-N	-1	0	272.326	0.559	20	30		CCEDRM
C=CCOC[C@H](NC(=O)c1coc(C)c1)C(=O)[O-]	ZINC000262886923	330036290	/nfs/dbraw/zinc/03/62/90/330036290.db2.gz	COUHVBCAUXIVLG-JTQLQIEISA-N	-1	0	253.254	0.974	20	30		CCEDRM
C=CCC[C@H](NC(=O)CNC(=O)CCC)C(=O)[O-]	ZINC000262906841	330036811	/nfs/dbraw/zinc/03/68/11/330036811.db2.gz	MTGQNIIVVSLYOV-VIFPVBQESA-N	-1	0	256.302	0.438	20	30		CCEDRM
C=CCOC[C@H](NC(=O)CCC1CCOCC1)C(=O)[O-]	ZINC000262923912	330036834	/nfs/dbraw/zinc/03/68/34/330036834.db2.gz	GMOSJIGZFUIAQT-LBPRGKRZSA-N	-1	0	285.340	0.965	20	30		CCEDRM
C=CCC[C@@H](NC(=O)CS(=O)(=O)C(C)(C)C)C(=O)[O-]	ZINC000263009226	330038572	/nfs/dbraw/zinc/03/85/72/330038572.db2.gz	XBHZRPNWBFIXFK-SECBINFHSA-N	-1	0	291.369	0.735	20	30		CCEDRM
C=CCOC[C@@H](NC(=O)c1ccc(F)cn1)C(=O)[O-]	ZINC000263031530	330039786	/nfs/dbraw/zinc/03/97/86/330039786.db2.gz	OPOPFZIDNZYJJO-SNVBAGLBSA-N	-1	0	268.244	0.606	20	30		CCEDRM
C=CCOC[C@@H](NC(=O)Cc1ccc(O)cc1)C(=O)[O-]	ZINC000263083680	330042659	/nfs/dbraw/zinc/04/26/59/330042659.db2.gz	SDXAVVHBDDVASE-GFCCVEGCSA-N	-1	0	279.292	0.707	20	30		CCEDRM
C=CCOC[C@@H](NC(=O)C1(COC)CCC1)C(=O)[O-]	ZINC000263142848	330045754	/nfs/dbraw/zinc/04/57/54/330045754.db2.gz	WTQRHAHOJIPOLS-SNVBAGLBSA-N	-1	0	271.313	0.575	20	30		CCEDRM
C#CCNC(=O)c1ccc(N[C@@H](C(=O)[O-])C(C)C)nc1	ZINC000263422482	330055043	/nfs/dbraw/zinc/05/50/43/330055043.db2.gz	PXEYSXHNOBMYGZ-GFCCVEGCSA-N	-1	0	275.308	0.966	20	30		CCEDRM
C#C[C@H](NC(=O)N(C)CCC(=O)[O-])[C@@H]1CCCO1	ZINC000263420661	330055084	/nfs/dbraw/zinc/05/50/84/330055084.db2.gz	WTWMIRRYHJUXSS-UWVGGRQHSA-N	-1	0	254.286	0.283	20	30		CCEDRM
CC(C)N(CC(=O)[O-])S(=O)(=O)N(C)[C@H](C)CC#N	ZINC000263501972	330058138	/nfs/dbraw/zinc/05/81/38/330058138.db2.gz	UCHPIKMEQXRZRT-SECBINFHSA-N	-1	0	277.346	0.260	20	30		CCEDRM
CCN(C[C@@H](C)C#N)S(=O)(=O)N(C)[C@H](C)C(=O)[O-]	ZINC000263539988	330059172	/nfs/dbraw/zinc/05/91/72/330059172.db2.gz	CAUZTFDQKQACDL-DTWKUNHWSA-N	-1	0	277.346	0.118	20	30		CCEDRM
C=CCN(C)C(=O)C(=O)N1C[C@H](C)C[C@H](C(=O)[O-])C1	ZINC000422746318	330153003	/nfs/dbraw/zinc/15/30/03/330153003.db2.gz	ZHEWLEMGFXYCGV-ZJUUUORDSA-N	-1	0	268.313	0.200	20	30		CCEDRM
C=CC1CCN(C(=O)C(=O)N2CC[C@H](C(=O)[O-])C2)CC1	ZINC000422819235	330156503	/nfs/dbraw/zinc/15/65/03/330156503.db2.gz	HUADCMZNIMTVLH-NSHDSACASA-N	-1	0	280.324	0.344	20	30		CCEDRM
C=C[C@H]1CCCCN1C(=O)C(=O)N1CCC(C(=O)[O-])CC1	ZINC000422902468	330162181	/nfs/dbraw/zinc/16/21/81/330162181.db2.gz	DGSQWWCZGCADSK-LBPRGKRZSA-N	-1	0	294.351	0.877	20	30		CCEDRM
C=CCCn1cc(C(=O)N(C)CCCC(=O)[O-])nn1	ZINC000424230312	330330746	/nfs/dbraw/zinc/33/07/46/330330746.db2.gz	ZWJRRKSFTGYYER-UHFFFAOYSA-N	-1	0	266.301	0.791	20	30		CCEDRM
C=CCCn1cc(C(=O)N2CCC[C@H](C(=O)[O-])C2)nn1	ZINC000424229507	330330809	/nfs/dbraw/zinc/33/08/09/330330809.db2.gz	XKWBTRPIZPWEAN-JTQLQIEISA-N	-1	0	278.312	0.791	20	30		CCEDRM
C=CCCn1cc(C(=O)N(CC(=O)[O-])C(C)C)nn1	ZINC000424252422	330332285	/nfs/dbraw/zinc/33/22/85/330332285.db2.gz	RKYSYIHEMKGULY-UHFFFAOYSA-N	-1	0	266.301	0.789	20	30		CCEDRM
C=CCn1cc(CNC(=O)[C@H]2[C@@H](C(=O)[O-])C2(C)C)nn1	ZINC000424255626	330332370	/nfs/dbraw/zinc/33/23/70/330332370.db2.gz	USDGEYGWZGYJHU-ZJUUUORDSA-N	-1	0	278.312	0.437	20	30		CCEDRM
CC(C)(CC#N)CNC(=O)C(=O)NCCC(C)(C)C(=O)[O-]	ZINC000424491447	330357661	/nfs/dbraw/zinc/35/76/61/330357661.db2.gz	YDLQVGJVPSWMJV-UHFFFAOYSA-N	-1	0	297.355	0.660	20	30		CCEDRM
C=CCSCCNS(=O)(=O)[N-]CC(F)(F)F	ZINC000195182468	331144990	/nfs/dbraw/zinc/14/49/90/331144990.db2.gz	WCXUHYQCCGVWEE-UHFFFAOYSA-N	-1	0	278.321	0.892	20	30		CCEDRM
COc1ccc(=NC(=O)NCC(C)(C)CC#N)[n-]n1	ZINC000459525530	331286019	/nfs/dbraw/zinc/28/60/19/331286019.db2.gz	KVAAOWLOLHFXGE-UHFFFAOYSA-N	-1	0	263.301	0.968	20	30		CCEDRM
C#CCN(CC#CC)C(=O)c1c[nH]c2nc(=O)[n-]c(=O)c-2c1	ZINC000490674592	332102215	/nfs/dbraw/zinc/10/22/15/332102215.db2.gz	CDZBXPOVQFQYEK-UHFFFAOYSA-N	-1	0	296.286	0.535	20	30		CCEDRM
C#C[C@H](C)N(C)C(=O)c1c[nH]c2nc(=O)[n-]c(=O)c-2c1	ZINC000491326204	332190284	/nfs/dbraw/zinc/19/02/84/332190284.db2.gz	KYPSTJIDIGMPKH-ZETCQYMHSA-N	-1	0	272.264	0.530	20	30		CCEDRM
CC#CCS(=O)(=O)[N-]C(=O)/C=C\c1cccnc1	ZINC000493374475	332437645	/nfs/dbraw/zinc/43/76/45/332437645.db2.gz	WZVGQOARTNOGEM-SREVYHEPSA-N	-1	0	264.306	0.564	20	30		CCEDRM
C#CCN(CC#C)S(=O)(=O)c1ccc(C(=O)[O-])cc1C	ZINC000185039043	333134789	/nfs/dbraw/zinc/13/47/89/333134789.db2.gz	PKQHEMLUEAEYCP-UHFFFAOYSA-N	-1	0	291.328	0.950	20	30		CCEDRM
CCC[C@H](C#N)NC(=O)c1c[nH]c2nc(=O)[n-]c(=O)c-2c1	ZINC000523376196	333324582	/nfs/dbraw/zinc/32/45/82/333324582.db2.gz	QGTPZWLDZLGEEW-MRVPVSSYSA-N	-1	0	287.279	0.858	20	30		CCEDRM
N#CC(C(=O)NC1CC1)=C([O-])c1cnn(C2CC2)c1	ZINC000528922143	333464755	/nfs/dbraw/zinc/46/47/55/333464755.db2.gz	XZNSUPSANLUBHT-NSHDSACASA-N	-1	0	258.281	0.819	20	30		CCEDRM
C=CCS(=O)(=O)[N-]C(=O)c1cnn(C2CC2)c1	ZINC000528973571	333467130	/nfs/dbraw/zinc/46/71/30/333467130.db2.gz	MUMRZOBPLOGVPM-UHFFFAOYSA-N	-1	0	255.299	0.464	20	30		CCEDRM
Cc1cc(C(=O)NC2(C#N)CC2)[nH]c2nc(=O)[n-]c(=O)c1-2	ZINC000174724396	335165100	/nfs/dbraw/zinc/16/51/00/335165100.db2.gz	KCSUBMNIOJDCJG-UHFFFAOYSA-N	-1	0	285.263	0.118	20	30		CCEDRM
CC#CC[C@@H](NS(=O)(=O)c1cncn1CC)C(=O)[O-]	ZINC000543786842	333898569	/nfs/dbraw/zinc/89/85/69/333898569.db2.gz	RYEKOSNTIRHIOK-SECBINFHSA-N	-1	0	285.325	0.048	20	30		CCEDRM
C=C(C)CS(=O)(=O)N1CC[C@@H](C(=O)[O-])[C@@H](C)C1	ZINC000576224293	335173172	/nfs/dbraw/zinc/17/31/72/335173172.db2.gz	JCRGPZWLGOYHPG-VHSXEESVSA-N	-1	0	261.343	0.935	20	30		CCEDRM
N#CCCCS(=O)(=O)N[C@H](Cc1ccco1)C(=O)[O-]	ZINC000548553662	334162500	/nfs/dbraw/zinc/16/25/00/334162500.db2.gz	IHWJDGJZLVTFMQ-SNVBAGLBSA-N	-1	0	286.309	0.498	20	30		CCEDRM
C[C@H](CC#N)N(C)S(=O)(=O)N(C)CC(C)(C)C(=O)[O-]	ZINC000566799375	334664914	/nfs/dbraw/zinc/66/49/14/334664914.db2.gz	GAHLNMARCDSSED-SECBINFHSA-N	-1	0	291.373	0.508	20	30		CCEDRM
C=CCOC[C@H](NC(=O)Nc1cc(C)on1)C(=O)[O-]	ZINC000567882894	334771620	/nfs/dbraw/zinc/77/16/20/334771620.db2.gz	FPEZHSPPKIKSKJ-QMMMGPOBSA-N	-1	0	269.257	0.182	20	30		CCEDRM
CC(C)[C@@H](CNS(=O)(=O)N(C)C[C@H](C)C#N)C(=O)[O-]	ZINC000568001586	334783076	/nfs/dbraw/zinc/78/30/76/334783076.db2.gz	BTUZAZUKPOOTOF-NXEZZACHSA-N	-1	0	291.373	0.269	20	30		CCEDRM
C[C@H](C#N)CN(C)C(=O)C(=O)N1CC[C@H](C)[C@@H](C(=O)[O-])C1	ZINC000578131916	335512184	/nfs/dbraw/zinc/51/21/84/335512184.db2.gz	DBNDGSPUJIBVRW-VWYCJHECSA-N	-1	0	295.339	0.174	20	30		CCEDRM
Cc1ncc(S(=O)(=O)N[C@@H](C)[C@H](C)C(=O)[O-])cc1C#N	ZINC000383816623	336118190	/nfs/dbraw/zinc/11/81/90/336118190.db2.gz	CWFCSHGGKQEMNZ-YUMQZZPRSA-N	-1	0	297.336	0.649	20	30		CCEDRM
COC(=O)c1cc(S(=O)(=O)[N-]c2n[nH]cc2C#N)c[nH]1	ZINC000358522422	533923889	/nfs/dbraw/zinc/92/38/89/533923889.db2.gz	CBCQKHLYQMAAJQ-UHFFFAOYSA-N	-1	0	295.280	0.197	20	30		CCEDRM
COC(=O)[C@@H](CF)[N-]S(=O)(=O)CC1(C#N)CCCC1	ZINC000344982135	534255949	/nfs/dbraw/zinc/25/59/49/534255949.db2.gz	GEPRZQACFILZIH-SECBINFHSA-N	-1	0	292.332	0.501	20	30		CCEDRM
C[C@@H](C(=O)[O-])N(C)S(=O)(=O)c1ccccc1C#N	ZINC000054053331	524295189	/nfs/dbraw/zinc/29/51/89/524295189.db2.gz	IGGCQYXIXFUOSM-QMMMGPOBSA-N	-1	0	268.294	0.652	20	30		CCEDRM
C=CCOCCCC(=O)N1CCO[C@H](CC(=O)[O-])C1	ZINC000262872935	534872287	/nfs/dbraw/zinc/87/22/87/534872287.db2.gz	XWKMPVWUMYPNNB-LLVKDONJSA-N	-1	0	271.313	0.671	20	30		CCEDRM
C=CCOCCCC(=O)NC(C)(C)c1nnn[n-]1	ZINC000354769610	526736826	/nfs/dbraw/zinc/73/68/26/526736826.db2.gz	CNECSYPHSRFGDI-UHFFFAOYSA-N	-1	0	253.306	0.534	20	30		CCEDRM
C=CC[C@H](CO)NC(=O)N=c1nc([C@@H](C)OC)[n-]s1	ZINC000350636258	527194764	/nfs/dbraw/zinc/19/47/64/527194764.db2.gz	GHABFVUVMDAVIP-HTQZYQBOSA-N	-1	0	286.357	0.726	20	30		CCEDRM
CCC(=O)N1CC[C@H](/N=C(/[O-])Nc2cccn(C)c2=O)C1	ZINC000329977510	528359376	/nfs/dbraw/zinc/35/93/76/528359376.db2.gz	ZTENDTLPPZQWFP-JTQLQIEISA-N	-1	0	292.339	0.722	20	30		CCEDRM
CC(C)C[C@H](NS(=O)(=O)c1cncc(C#N)c1)C(=O)[O-]	ZINC000261854221	535323125	/nfs/dbraw/zinc/32/31/25/535323125.db2.gz	WZYIWXHIZKMUBM-NSHDSACASA-N	-1	0	297.336	0.731	20	30		CCEDRM
C[C@@H](CNC(=O)[O-])N(C)S(=O)(=O)c1cccc(C#N)c1	ZINC000738938678	581205601	/nfs/dbraw/zinc/20/56/01/581205601.db2.gz	GQXAKEVCXVIAHN-VIFPVBQESA-N	-1	0	297.336	0.835	20	30		CCEDRM
O=C([O-])c1cc(C=NN[C@H]2CCS(=O)(=O)C2)ccc1O	ZINC000777420290	581114998	/nfs/dbraw/zinc/11/49/98/581114998.db2.gz	GRZBQESJJPXJEF-VIFPVBQESA-N	-1	0	298.320	0.201	20	30		CCEDRM
N#Cc1ccc(F)c(CS(=O)(=O)NC/C=C/C(=O)[O-])c1	ZINC000788444930	581187697	/nfs/dbraw/zinc/18/76/97/581187697.db2.gz	FZEJFPBKJNUFAU-OWOJBTEDSA-N	-1	0	298.295	0.758	20	30		CCEDRM
CC(C)[C@@](C)(C#N)NC(=O)CN(C)[C@H](C)CNC(=O)[O-]	ZINC000738942730	581211508	/nfs/dbraw/zinc/21/15/08/581211508.db2.gz	WZCRKMSPMDHWIB-ZWNOBZJWSA-N	-1	0	284.360	0.629	20	30		CCEDRM
Cc1noc2ncc(C(=O)N(CC#N)CC(=O)[O-])cc12	ZINC000738955408	581217039	/nfs/dbraw/zinc/21/70/39/581217039.db2.gz	ODKYZCDUPBBZGI-UHFFFAOYSA-N	-1	0	274.236	0.582	20	30		CCEDRM
CCn1nc(C)cc1C([O-])=C(C#N)C(=O)NCCCOC	ZINC000726319477	581236755	/nfs/dbraw/zinc/23/67/55/581236755.db2.gz	CRMLZTKPPSTUAN-LLVKDONJSA-N	-1	0	292.339	0.687	20	30		CCEDRM
CCn1nc(C)cc1C([O-])=C(C#N)C(=O)NC1CC1	ZINC000726321554	581236832	/nfs/dbraw/zinc/23/68/32/581236832.db2.gz	MFUHVEWODYPYEI-SNVBAGLBSA-N	-1	0	260.297	0.813	20	30		CCEDRM
C=CCCO[C@H](C)C(=O)[N-]S(=O)(=O)[C@H]1CCCOC1	ZINC000780624356	581237373	/nfs/dbraw/zinc/23/73/73/581237373.db2.gz	NIBOHNAMVNHNHB-MNOVXSKESA-N	-1	0	291.369	0.593	20	30		CCEDRM
CC#CCS(=O)(=O)[N-]C(=O)c1scnc1C	ZINC000791110259	581259526	/nfs/dbraw/zinc/25/95/26/581259526.db2.gz	AADLXLBPGIXXAE-UHFFFAOYSA-N	-1	0	258.324	0.534	20	30		CCEDRM
CC[C@@H](NN=C1CCCC[C@H]1S(C)(=O)=O)C(=O)[O-]	ZINC000793058551	581283298	/nfs/dbraw/zinc/28/32/98/581283298.db2.gz	VOWKTDVUWNMLBL-PSASIEDQSA-N	-1	0	276.358	0.782	20	30		CCEDRM
CC[C@@H](NNC1=CC(=O)N2CCCC[C@H]12)C(=O)[O-]	ZINC000793057232	581283400	/nfs/dbraw/zinc/28/34/00/581283400.db2.gz	MZDONQIDPWAHMX-PSASIEDQSA-N	-1	0	253.302	0.580	20	30		CCEDRM
COC1(C(=O)[N-]S(=O)(=O)CC2(C#N)CC2)CCCC1	ZINC000793195331	581287810	/nfs/dbraw/zinc/28/78/10/581287810.db2.gz	CFPNPVPPKWMDRC-UHFFFAOYSA-N	-1	0	286.353	0.695	20	30		CCEDRM
CC1(C)C[C@@H]1C(=O)[N-]S(=O)(=O)CC1(C#N)CC1	ZINC000793194816	581287865	/nfs/dbraw/zinc/28/78/65/581287865.db2.gz	ZZIRZENZDZOFLQ-MRVPVSSYSA-N	-1	0	256.327	0.782	20	30		CCEDRM
C[C@H](CO)NN=Cc1ccc(O[C@H](C)C(=O)[O-])cc1	ZINC000794916109	581315118	/nfs/dbraw/zinc/31/51/18/581315118.db2.gz	RXURKTBYYNIIJO-NXEZZACHSA-N	-1	0	266.297	0.843	20	30		CCEDRM
COC(=O)c1ccc(C([O-])=C(C#N)C(=O)NC2CC2)[nH]1	ZINC000796743025	581361694	/nfs/dbraw/zinc/36/16/94/581361694.db2.gz	FHAQBYHMDJDVIQ-MRVPVSSYSA-N	-1	0	275.264	0.402	20	30		CCEDRM
CC(C)(C)OC(=O)CCNN=Cc1cn(CC(=O)[O-])nn1	ZINC000783869329	581366232	/nfs/dbraw/zinc/36/62/32/581366232.db2.gz	YHDHEZAXFQBLIH-UHFFFAOYSA-N	-1	0	297.315	0.018	20	30		CCEDRM
C=C(C)[C@H]1OCC[C@H]1C(=O)[N-]S(=O)(=O)N1CCCC1	ZINC000786339659	581438173	/nfs/dbraw/zinc/43/81/73/581438173.db2.gz	GBRAEWXPSHLJQQ-GHMZBOCLSA-N	-1	0	288.369	0.424	20	30		CCEDRM
CCn1cc(S(=O)(=O)[N-]C(=O)CC(C)(C)C#N)nc1C	ZINC000786476365	581442101	/nfs/dbraw/zinc/44/21/01/581442101.db2.gz	CGDKUWFNMXBKEJ-UHFFFAOYSA-N	-1	0	298.368	0.956	20	30		CCEDRM
COC/C=C\C(=O)OCc1cc(=O)n2[n-]cc(C#N)c2n1	ZINC000786607416	581446331	/nfs/dbraw/zinc/44/63/31/581446331.db2.gz	DNJAGLHQAZIKGD-IHWYPQMZSA-N	-1	0	288.263	0.552	20	30		CCEDRM
C=CCNC(=O)C(C#N)=C([O-])c1ccnc(C#N)c1	ZINC000796634992	581446740	/nfs/dbraw/zinc/44/67/40/581446740.db2.gz	KBUUVXFGTDSRAY-LLVKDONJSA-N	-1	0	254.249	0.578	20	30		CCEDRM
CNC(=O)C(C#N)=C([O-])c1ccc2nc(C)n(C)c2c1	ZINC000796642534	581447019	/nfs/dbraw/zinc/44/70/19/581447019.db2.gz	GAHVZBRKBLMEFP-SNVBAGLBSA-N	-1	0	270.292	0.950	20	30		CCEDRM
COCCCNC(=O)C(C#N)=C([O-])c1ccc(C#N)o1	ZINC000796739705	581449477	/nfs/dbraw/zinc/44/94/77/581449477.db2.gz	DWWILLZMDBNVLQ-JTQLQIEISA-N	-1	0	275.264	0.626	20	30		CCEDRM
C=CCNC(=O)C(C#N)=C([O-])c1nnn(C(C)C)c1C	ZINC000796745038	581449707	/nfs/dbraw/zinc/44/97/07/581449707.db2.gz	KCWUFUIXHHRROY-SNVBAGLBSA-N	-1	0	275.312	0.792	20	30		CCEDRM
CC#CCCCC(=O)[N-]S(=O)(=O)c1cc[nH]n1	ZINC000796868326	581452497	/nfs/dbraw/zinc/45/24/97/581452497.db2.gz	JHZJIFZKKVOFSO-UHFFFAOYSA-N	-1	0	255.299	0.408	20	30		CCEDRM
C=CCC(C)(C)C(=O)[N-]S(=O)(=O)N1CCOCC1	ZINC000796922736	581454958	/nfs/dbraw/zinc/45/49/58/581454958.db2.gz	NTUQBERSEMGKFF-UHFFFAOYSA-N	-1	0	276.358	0.282	20	30		CCEDRM
CCc1nc(C(=O)[N-]S(=O)(=O)CC2(C#N)CC2)c(C)o1	ZINC000797274017	581463384	/nfs/dbraw/zinc/46/33/84/581463384.db2.gz	BJXRFHNRFBHMKE-UHFFFAOYSA-N	-1	0	297.336	0.909	20	30		CCEDRM
COCCO[N-]C(=O)C(=O)N[C@@H](C)c1ccc(C#N)cc1	ZINC000787347073	581468522	/nfs/dbraw/zinc/46/85/22/581468522.db2.gz	FAIWNFDOGLLHPX-JTQLQIEISA-N	-1	0	291.307	0.430	20	30		CCEDRM
N#Cc1cccc(C(=O)[N-]S(=O)(=O)[C@H]2CCOC2)c1	ZINC000733718870	581520991	/nfs/dbraw/zinc/52/09/91/581520991.db2.gz	ILDDHNTVAYSUMD-NSHDSACASA-N	-1	0	280.305	0.407	20	30		CCEDRM
CC[C@@H](C#N)NC(=O)CN(C[C@@H]1CCCO1)C(=O)[O-]	ZINC000739208171	581523209	/nfs/dbraw/zinc/52/32/09/581523209.db2.gz	KBPICTGONLEZTL-UWVGGRQHSA-N	-1	0	269.301	0.564	20	30		CCEDRM
CCN(CC(=O)[C@@H](C#N)C(=O)NC1CCCC1)C(=O)[O-]	ZINC000739384401	581543901	/nfs/dbraw/zinc/54/39/01/581543901.db2.gz	FRDXCHPHEGONPK-SNVBAGLBSA-N	-1	0	281.312	0.754	20	30		CCEDRM
CC[C@H](NC(=O)[O-])C(=O)N1CCN([C@@H](C#N)C(C)C)CC1	ZINC000739527443	581565385	/nfs/dbraw/zinc/56/53/85/581565385.db2.gz	YKNATDFZCLEWKI-RYUDHWBXSA-N	-1	0	296.371	0.725	20	30		CCEDRM
CC(C)c1cc(C(=O)[N-]S(=O)(=O)CC2(C#N)CC2)[nH]n1	ZINC000753945860	581566265	/nfs/dbraw/zinc/56/62/65/581566265.db2.gz	WHTIQUHFBQMZTO-UHFFFAOYSA-N	-1	0	296.352	0.896	20	30		CCEDRM
C=CCS(=O)(=O)[N-]C(=O)c1ncc(C)cc1OC	ZINC000753995081	581569366	/nfs/dbraw/zinc/56/93/66/581569366.db2.gz	DIWKXZIZEIVVDE-UHFFFAOYSA-N	-1	0	270.310	0.644	20	30		CCEDRM
CN(C(=O)[O-])[C@H]1CCCN(C(=O)CSCC#N)C1	ZINC000739581596	581599091	/nfs/dbraw/zinc/59/90/91/581599091.db2.gz	HFGQNUKNSUYRPV-VIFPVBQESA-N	-1	0	271.342	0.844	20	30		CCEDRM
C#CCCS(=O)(=O)[N-]C(=O)Cc1cc(F)ccc1F	ZINC000788066741	581599715	/nfs/dbraw/zinc/59/97/15/581599715.db2.gz	ABKWOTKLHBDQDN-UHFFFAOYSA-N	-1	0	287.287	0.977	20	30		CCEDRM
COC(=O)CN(CC#N)C(=O)[C@@H]1CCC[C@@H](NC(=O)[O-])C1	ZINC000739762461	581612303	/nfs/dbraw/zinc/61/23/03/581612303.db2.gz	PZKMIBDUTPEIJM-NXEZZACHSA-N	-1	0	297.311	0.338	20	30		CCEDRM
CON=C(C)c1ccc(S(=O)(=O)NCC(=O)[O-])cc1	ZINC000767488992	581615606	/nfs/dbraw/zinc/61/56/06/581615606.db2.gz	DKVCWLWYQRICTP-UHFFFAOYSA-N	-1	0	286.309	0.420	20	30		CCEDRM
C=CCNC(=O)C(C#N)=C([O-])c1ccc2nnn(C)c2c1	ZINC000755602418	581648323	/nfs/dbraw/zinc/64/83/23/581648323.db2.gz	DNTBUAVNVMTXCV-JTQLQIEISA-N	-1	0	283.291	0.593	20	30		CCEDRM
N#C[C@@H]1CN(C(=O)[C@H](NC(=O)[O-])c2ccccc2)CCO1	ZINC000740306140	581662894	/nfs/dbraw/zinc/66/28/94/581662894.db2.gz	CYKAYVIBNQHMNR-VXGBXAGGSA-N	-1	0	289.291	0.746	20	30		CCEDRM
N#CCN(CC#N)C(=O)[C@@H]1CCC[C@H](NC(=O)[O-])C1	ZINC000740305581	581663039	/nfs/dbraw/zinc/66/30/39/581663039.db2.gz	PCPDYRSHDAHAFT-ZJUUUORDSA-N	-1	0	264.285	0.689	20	30		CCEDRM
N#CCCCCS(=O)(=O)N1CC[C@H](CNC(=O)[O-])C1	ZINC000740306888	581663423	/nfs/dbraw/zinc/66/34/23/581663423.db2.gz	MBPWTUKNZBJDFX-SNVBAGLBSA-N	-1	0	289.357	0.600	20	30		CCEDRM
N#Cc1ccc(S(=O)(=O)N[C@@H]2CCN(C(=O)[O-])C2)cc1	ZINC000740321300	581665226	/nfs/dbraw/zinc/66/52/26/581665226.db2.gz	FTVRAERZVHZIFZ-SNVBAGLBSA-N	-1	0	295.320	0.589	20	30		CCEDRM
N#Cc1cccc(S(=O)(=O)N[C@@H]2CCN(C(=O)[O-])C2)c1	ZINC000740322411	581665675	/nfs/dbraw/zinc/66/56/75/581665675.db2.gz	BQYHTSKEXQMODH-SNVBAGLBSA-N	-1	0	295.320	0.589	20	30		CCEDRM
C=C(C)[C@@H](CC(=O)[N-]S(=O)(=O)N1CCCC1)OCC	ZINC000756522206	581670280	/nfs/dbraw/zinc/67/02/80/581670280.db2.gz	LTKROXOLOCYLDA-LLVKDONJSA-N	-1	0	290.385	0.815	20	30		CCEDRM
O=C([O-])N1C[C@H](O)C[C@H]1C(=O)NCC#Cc1ccccc1	ZINC000740403528	581677008	/nfs/dbraw/zinc/67/70/08/581677008.db2.gz	CSSIGBDZQPSLBK-OLZOCXBDSA-N	-1	0	288.303	0.268	20	30		CCEDRM
C=CCN(CC=C)C(=O)[C@H](C)N1CCO[C@@H](C(=O)[O-])C1	ZINC000736107927	581697462	/nfs/dbraw/zinc/69/74/62/581697462.db2.gz	AZUBNPSYQSPKCR-NWDGAFQWSA-N	-1	0	282.340	0.361	20	30		CCEDRM
COCCN(C)S(=O)(=O)[N-]C(=O)c1cccc(C#N)c1	ZINC000757330654	581701383	/nfs/dbraw/zinc/70/13/83/581701383.db2.gz	LHKMSTQRXFTVKK-UHFFFAOYSA-N	-1	0	297.336	0.111	20	30		CCEDRM
C=CC(=O)Nc1ccc(C(=O)N(CC#N)CC(=O)[O-])cc1	ZINC000736095693	581701635	/nfs/dbraw/zinc/70/16/35/581701635.db2.gz	AAIZDNUOCCAVJC-UHFFFAOYSA-N	-1	0	287.275	0.861	20	30		CCEDRM
C#CC[C@H](NC(=O)c1cnc([O-])n(C)c1=O)c1ccccc1	ZINC000757616044	581704187	/nfs/dbraw/zinc/70/41/87/581704187.db2.gz	YEBGHHPWKODQOK-ZDUSSCGKSA-N	-1	0	297.314	0.980	20	30		CCEDRM
C[C@@](C#N)(NC(=O)CN1CCC[C@H]1C(=O)[O-])C1CC1	ZINC000736203667	581714856	/nfs/dbraw/zinc/71/48/56/581714856.db2.gz	VNXRWJMXLTWCPX-GWCFXTLKSA-N	-1	0	265.313	0.344	20	30		CCEDRM
CC(C)(NC(=O)[O-])C(=O)NCCNc1ncccc1C#N	ZINC000736331759	581741777	/nfs/dbraw/zinc/74/17/77/581741777.db2.gz	PAEUWNOHPGNHLP-UHFFFAOYSA-N	-1	0	291.311	0.528	20	30		CCEDRM
Cc1nc(NC(=O)c2cc(=O)[nH][n-]2)sc1SCC#N	ZINC000731871855	581785647	/nfs/dbraw/zinc/78/56/47/581785647.db2.gz	OZGLMUQZNDSHOM-UHFFFAOYSA-N	-1	0	295.349	0.882	20	30		CCEDRM
C[C@@]1(C(=O)[N-]S(=O)(=O)CC2(C#N)CCC2)CCCO1	ZINC000771081295	581790426	/nfs/dbraw/zinc/79/04/26/581790426.db2.gz	VKGJRDKNENRTRJ-NSHDSACASA-N	-1	0	286.353	0.695	20	30		CCEDRM
N#Cc1ccccc1C=CC(=O)NCc1nnn[n-]1	ZINC000732157619	581806687	/nfs/dbraw/zinc/80/66/87/581806687.db2.gz	BPGQWKVZRLBBTF-AATRIKPKSA-N	-1	0	254.253	0.401	20	30		CCEDRM
C[C@@H](NC(=O)C1CCCC1)C(=O)N(CC#N)CC(=O)[O-]	ZINC000736630805	581806736	/nfs/dbraw/zinc/80/67/36/581806736.db2.gz	BXYCJJPTAOOVOK-SECBINFHSA-N	-1	0	281.312	0.118	20	30		CCEDRM
Cc1[n-]n2c(nc3ccccc3c2=O)c1C=NOCC(N)=O	ZINC000771578769	581810772	/nfs/dbraw/zinc/81/07/72/581810772.db2.gz	QZIOLYKZUMFMQW-UHFFFAOYSA-N	-1	0	299.290	0.320	20	30		CCEDRM
C[C@H](NC(=O)OC(C)(C)C)C(=O)N(CC#N)CC(=O)[O-]	ZINC000736650409	581811111	/nfs/dbraw/zinc/81/11/11/581811111.db2.gz	OCCSKLOJYXWNNY-QMMMGPOBSA-N	-1	0	285.300	0.336	20	30		CCEDRM
N#Cc1ccc([O-])c(NC(=O)c2ccc3nnnn3c2)c1	ZINC000759716798	581817027	/nfs/dbraw/zinc/81/70/27/581817027.db2.gz	CYDRUGUUXCCKEH-UHFFFAOYSA-N	-1	0	280.247	0.954	20	30		CCEDRM
C=CCNC(=O)C(C#N)=C([O-])c1cc(C2CC2)n(C)n1	ZINC000744031517	581830392	/nfs/dbraw/zinc/83/03/92/581830392.db2.gz	ZLTVZLMFILFCJJ-JTQLQIEISA-N	-1	0	272.308	0.922	20	30		CCEDRM
CCOC(=O)c1cnc(C)c(C([O-])=C(C#N)C(=O)NC)c1	ZINC000760182396	581848077	/nfs/dbraw/zinc/84/80/77/581848077.db2.gz	GSQYXTXQZTZSSN-LLVKDONJSA-N	-1	0	289.291	0.635	20	30		CCEDRM
CO[C@@H](C)C(=O)[N-]S(=O)(=O)CC1(C#N)CCCCC1	ZINC000760400739	581857333	/nfs/dbraw/zinc/85/73/33/581857333.db2.gz	NVWZRGOWZFBVDR-JTQLQIEISA-N	-1	0	288.369	0.941	20	30		CCEDRM
C=CCS(=O)(=O)[N-]C(=O)c1cc(F)cc([N+](=O)[O-])c1	ZINC000772717683	581886225	/nfs/dbraw/zinc/88/62/25/581886225.db2.gz	GNSCLIIXWNAHSJ-UHFFFAOYSA-N	-1	0	288.256	0.980	20	30		CCEDRM
C#CCCCCC(=O)N1CCO[C@H](c2nnn[n-]2)C1	ZINC000773341153	581922606	/nfs/dbraw/zinc/92/26/06/581922606.db2.gz	MLZIVKBOQHJEHK-JTQLQIEISA-N	-1	0	263.301	0.293	20	30		CCEDRM
C=CCN(CC(=O)[O-])C(=O)c1ccnc(OCCOC)c1	ZINC000762021086	581928321	/nfs/dbraw/zinc/92/83/21/581928321.db2.gz	KAEDFRHXVNVJCO-UHFFFAOYSA-N	-1	0	294.307	0.820	20	30		CCEDRM
C=CCN(CC(=O)[O-])C(=O)[C@@H](C)NC(=O)C1CCCC1	ZINC000762050793	581930119	/nfs/dbraw/zinc/93/01/19/581930119.db2.gz	VDMVVKHNODZNMM-SNVBAGLBSA-N	-1	0	282.340	0.781	20	30		CCEDRM
CN(C)c1cc(C(=O)N(CC#N)CC(=O)[O-])ccn1	ZINC000737373910	581949164	/nfs/dbraw/zinc/94/91/64/581949164.db2.gz	HPWXPNCOZLRWRL-UHFFFAOYSA-N	-1	0	262.269	0.198	20	30		CCEDRM
CN(CCCC(=O)NC1CCN(CC#N)CC1)C(=O)[O-]	ZINC000737421400	581955939	/nfs/dbraw/zinc/95/59/39/581955939.db2.gz	GVYCOQDYDDOANH-UHFFFAOYSA-N	-1	0	282.344	0.481	20	30		CCEDRM
C=CCN(CC(=O)[O-])C(=O)c1cnc(OC)nc1	ZINC000737527604	581973130	/nfs/dbraw/zinc/97/31/30/581973130.db2.gz	YPJRBEYZXOIRQM-UHFFFAOYSA-N	-1	0	251.242	0.198	20	30		CCEDRM
CCC(CC)CNN=Cc1cn(CC(=O)[O-])nn1	ZINC000774469706	581975435	/nfs/dbraw/zinc/97/54/35/581975435.db2.gz	ATRKZUNEYYFYOO-UHFFFAOYSA-N	-1	0	253.306	0.722	20	30		CCEDRM
COc1ccc([C@H](NCC(=O)NCC#N)C(=O)[O-])cc1	ZINC000737967894	582010174	/nfs/dbraw/zinc/01/01/74/582010174.db2.gz	AFDKCHIBJXUBJA-LBPRGKRZSA-N	-1	0	277.280	0.050	20	30		CCEDRM
COc1cccc(CS(=O)(=O)N(CC#N)CC(=O)[O-])c1	ZINC000738101961	582022617	/nfs/dbraw/zinc/02/26/17/582022617.db2.gz	FZOPXOBOBRYOHC-UHFFFAOYSA-N	-1	0	298.320	0.435	20	30		CCEDRM
O=S1(=O)CC[C@H](NN=Cc2cc(F)c([O-])c(F)c2)C1	ZINC000749849979	582024921	/nfs/dbraw/zinc/02/49/21/582024921.db2.gz	HWUANJNZHRYRAB-QMMMGPOBSA-N	-1	0	290.291	0.781	20	30		CCEDRM
C=CCCC(=O)[N-]S(=O)(=O)c1c(C)onc1N	ZINC000788090646	582025885	/nfs/dbraw/zinc/02/58/85/582025885.db2.gz	HTOFMCRUNNYCOF-UHFFFAOYSA-N	-1	0	259.287	0.336	20	30		CCEDRM
N#CCN1CCC(NC(=O)C2CCN(C(=O)[O-])CC2)CC1	ZINC000738427102	582048337	/nfs/dbraw/zinc/04/83/37/582048337.db2.gz	XGFFEGALGKMENJ-UHFFFAOYSA-N	-1	0	294.355	0.481	20	30		CCEDRM
CCOC(=O)C1(C(=O)[N-]S(=O)(=O)CCCC#N)CC1	ZINC000776117276	582052289	/nfs/dbraw/zinc/05/22/89/582052289.db2.gz	MUDDQXKSFHGTKK-UHFFFAOYSA-N	-1	0	288.325	0.079	20	30		CCEDRM
N#CCCCS(=O)(=O)[N-]C(=O)CSc1ccncc1	ZINC000776122366	582052729	/nfs/dbraw/zinc/05/27/29/582052729.db2.gz	QOSKHXYNASSVFB-UHFFFAOYSA-N	-1	0	299.377	0.923	20	30		CCEDRM
C=CCCOCC(=O)[N-]S(=O)(=O)CCCC#N	ZINC000776122343	582053006	/nfs/dbraw/zinc/05/30/06/582053006.db2.gz	PWIVSHJMTDUDAD-UHFFFAOYSA-N	-1	0	260.315	0.329	20	30		CCEDRM
C#Cc1cccc(NC(=O)C(=O)NCCN(C)C(=O)[O-])c1	ZINC000738466458	582053907	/nfs/dbraw/zinc/05/39/07/582053907.db2.gz	AWWROUDGAXRYTL-UHFFFAOYSA-N	-1	0	289.291	0.332	20	30		CCEDRM
C#CCSCCNC(=O)[C@H]1CCCN1C(=O)[O-]	ZINC000738471266	582054382	/nfs/dbraw/zinc/05/43/82/582054382.db2.gz	XBQIXWLQGDGFFG-SECBINFHSA-N	-1	0	256.327	0.611	20	30		CCEDRM
C=CCNC(=O)[C@@H](C)N1CCN(C(=O)[O-])[C@H](C)C1	ZINC000738496209	582056619	/nfs/dbraw/zinc/05/66/19/582056619.db2.gz	UJUURCXLZVVUJZ-NXEZZACHSA-N	-1	0	255.318	0.361	20	30		CCEDRM
C[C@H](C#N)CN(C)C(=O)N[C@H](CNC(=O)[O-])C1CC1	ZINC000738596225	582064358	/nfs/dbraw/zinc/06/43/58/582064358.db2.gz	HHPSAVSRCICBIV-PSASIEDQSA-N	-1	0	268.317	0.834	20	30		CCEDRM
C[C@@H](C#N)OC(=O)c1cn(C2CCN(C(=O)[O-])CC2)nn1	ZINC000738600427	582065021	/nfs/dbraw/zinc/06/50/21/582065021.db2.gz	IGDHVROFKJCVAQ-QMMMGPOBSA-N	-1	0	293.283	0.662	20	30		CCEDRM
C[C@H](C(=O)N(C)CCC#N)N1CC[C@H](NC(=O)[O-])C1	ZINC000738606063	582065457	/nfs/dbraw/zinc/06/54/57/582065457.db2.gz	ZXAMHWWJSYBYDE-ZJUUUORDSA-N	-1	0	268.317	0.089	20	30		CCEDRM
CC(C)[C@@H](C#N)NC(=O)CN(C[C@@H]1CCCO1)C(=O)[O-]	ZINC000738761891	582074521	/nfs/dbraw/zinc/07/45/21/582074521.db2.gz	NUMSKNJDMWPFET-WDEREUQCSA-N	-1	0	283.328	0.810	20	30		CCEDRM
N#CCCCCS(=O)(=O)N[C@H](CC(=O)[O-])C1CC1	ZINC000776578880	582079226	/nfs/dbraw/zinc/07/92/26/582079226.db2.gz	ZIOAWXJAGNSQSS-SNVBAGLBSA-N	-1	0	274.342	0.853	20	30		CCEDRM
Cc1n[nH]c(C)c1CCC(=O)N(CC#N)CC(=O)[O-]	ZINC000738821250	582079528	/nfs/dbraw/zinc/07/95/28/582079528.db2.gz	LTJKSUMERYECGY-UHFFFAOYSA-N	-1	0	264.285	0.396	20	30		CCEDRM
N#Cc1ccc(SCC(=O)[N-]OCCO)cc1	ZINC000776585151	582081720	/nfs/dbraw/zinc/08/17/20/582081720.db2.gz	SEDBVRMGEWREMV-UHFFFAOYSA-N	-1	0	252.295	0.690	20	30		CCEDRM
C#CCCCCNS(=O)(=O)c1n[nH]c(C)c1C(=O)OC	ZINC000751498753	582083580	/nfs/dbraw/zinc/08/35/80/582083580.db2.gz	SYFZBXDXXWTGRL-UHFFFAOYSA-N	-1	0	299.352	0.587	20	30		CCEDRM
N#Cc1ccc(C(=O)Nc2nnc(C3=S=CC=C3)[n-]2)[nH]1	ZINC000751863092	582094707	/nfs/dbraw/zinc/09/47/07/582094707.db2.gz	MVACHORSJVZWRT-UHFFFAOYSA-N	-1	0	284.304	0.882	20	30		CCEDRM
C[C@H](OC(=O)CC(C)(C)NC(=O)[O-])C(=O)N(C)CCC#N	ZINC000739045124	582099373	/nfs/dbraw/zinc/09/93/73/582099373.db2.gz	UMBUQTDONQQEAH-VIFPVBQESA-N	-1	0	299.327	0.726	20	30		CCEDRM
N#C[C@@H]1COCCN1C(=O)c1ccc(C(=O)[O-])s1	ZINC000739069199	582100537	/nfs/dbraw/zinc/10/05/37/582100537.db2.gz	NLSCDNZHWKMXJJ-SSDOTTSWSA-N	-1	0	266.278	0.811	20	30		CCEDRM
N#CCCCS(=O)(=O)N[C@@H]1CCCN(C(=O)[O-])C1	ZINC000739072528	582100933	/nfs/dbraw/zinc/10/09/33/582100933.db2.gz	HZHPAJQQWJRKPM-SECBINFHSA-N	-1	0	275.330	0.352	20	30		CCEDRM
N#CCN(CC(=O)[O-])C(=O)c1ccc2c(c1)COC2	ZINC000739087838	582102147	/nfs/dbraw/zinc/10/21/47/582102147.db2.gz	PHCXPYCTZGQUCR-UHFFFAOYSA-N	-1	0	260.249	0.767	20	30		CCEDRM
N#Cc1ccc([C@H](C(=O)[O-])N2CCCNC(=O)C2)cc1	ZINC000739105297	582102629	/nfs/dbraw/zinc/10/26/29/582102629.db2.gz	JWHVJNDCFFYDMB-CYBMUJFWSA-N	-1	0	273.292	0.506	20	30		CCEDRM
O=C([O-])Cn1cc(C=NNCCc2ccccc2F)nn1	ZINC000768482832	582107271	/nfs/dbraw/zinc/10/72/71/582107271.db2.gz	GUWNJQXPVLMZRL-UHFFFAOYSA-N	-1	0	291.286	0.668	20	30		CCEDRM
O=C([O-])Cn1cc(C=NNc2cccc(F)c2)nn1	ZINC000768483958	582107375	/nfs/dbraw/zinc/10/73/75/582107375.db2.gz	ROMQQBLRXPCKKQ-UHFFFAOYSA-N	-1	0	263.232	0.948	20	30		CCEDRM
N#Cc1ccsc1C(=O)N1CCOC[C@H]1C(=O)[O-]	ZINC000833076641	601608903	/nfs/dbraw/zinc/60/89/03/601608903.db2.gz	LDPCIJLGKFTWSQ-QMMMGPOBSA-N	-1	0	266.278	0.545	20	30		CCEDRM
C#CCCCNC(=O)[C@@H](CCSC)NC(=O)[O-]	ZINC000823444634	612982284	/nfs/dbraw/zinc/98/22/84/612982284.db2.gz	OICFBBNTOSEJOC-SECBINFHSA-N	-1	0	258.343	0.905	20	30		CCEDRM
COCCN(CC(F)F)C(=O)[C@](C)(C#N)CC(=O)[O-]	ZINC000820730225	616989431	/nfs/dbraw/zinc/98/94/31/616989431.db2.gz	OJTPYMHPHKPTHI-NSHDSACASA-N	-1	0	278.255	0.731	20	30		CCEDRM
CN(CC(=O)[O-])S(=O)(=O)c1cccc(F)c1C#N	ZINC000070393925	597130066	/nfs/dbraw/zinc/13/00/66/597130066.db2.gz	QCBSRKYEZNOPJP-UHFFFAOYSA-N	-1	0	272.257	0.402	20	30		CCEDRM
N#CC1(C(=O)N2CC[C@H](C(=O)[O-])C2)CCOCC1	ZINC000819084123	597497562	/nfs/dbraw/zinc/49/75/62/597497562.db2.gz	BGZOXKQSCRDWLO-VIFPVBQESA-N	-1	0	252.270	0.240	20	30		CCEDRM
C[C@](C#N)(CC(=O)[O-])C(=O)N1CC[C@@H]([C@@H]2CCOC2)C1	ZINC000819811688	597603416	/nfs/dbraw/zinc/60/34/16/597603416.db2.gz	UNBGHYQVWPMJFR-JTNHKYCSSA-N	-1	0	280.324	0.876	20	30		CCEDRM
C[C@@](C#N)(CC(=O)[O-])C(=O)NC[C@H]1CSCCS1	ZINC000819833850	597653838	/nfs/dbraw/zinc/65/38/38/597653838.db2.gz	JMEBGIHQKZLYFG-KWQFWETISA-N	-1	0	288.394	0.956	20	30		CCEDRM
C[C@H](NC(=O)[C@@](C)(C#N)CC(=O)[O-])[C@@H]1CCCOC1	ZINC000820113889	597611789	/nfs/dbraw/zinc/61/17/89/597611789.db2.gz	HXFOIHXIZUELIF-OPQQBVKSSA-N	-1	0	268.313	0.922	20	30		CCEDRM
Cc1noc(CCCOC(=O)[C@](C)(C#N)CC(=O)[O-])n1	ZINC000821235283	597613840	/nfs/dbraw/zinc/61/38/40/597613840.db2.gz	DDSWKNFXMCUVKV-LBPRGKRZSA-N	-1	0	281.268	0.858	20	30		CCEDRM
C[C@H](OC(=O)[C@](C)(C#N)CC(=O)[O-])C(=O)NC1CC1	ZINC000820160905	597625265	/nfs/dbraw/zinc/62/52/65/597625265.db2.gz	KNJOCPNUGTVMIG-MADCSZMMSA-N	-1	0	268.269	0.201	20	30		CCEDRM
Cc1nn(C)c(C)c1CN(C)C(=O)[C@](C)(C#N)CC(=O)[O-]	ZINC000821202860	597649097	/nfs/dbraw/zinc/64/90/97/597649097.db2.gz	RXTLCMAEMIPYJB-AWEZNQCLSA-N	-1	0	292.339	1.000	20	30		CCEDRM
C[C@@](C#N)(CC(=O)[O-])C(=O)N1CCC(c2nnc[nH]2)CC1	ZINC000819810498	597653724	/nfs/dbraw/zinc/65/37/24/597653724.db2.gz	BRSNKYOGXZFXIS-ZDUSSCGKSA-N	-1	0	291.311	0.515	20	30		CCEDRM
Cc1cc(C[C@H](C)NC(=O)[C@](C)(C#N)CC(=O)[O-])[nH]n1	ZINC000820976337	597657910	/nfs/dbraw/zinc/65/79/10/597657910.db2.gz	BLAOZWZSVMAINW-SDBXPKJASA-N	-1	0	278.312	0.770	20	30		CCEDRM
C[C@@](C#N)(CC(=O)[O-])C(=O)NCC1(CCO)CCC1	ZINC000819833381	597658083	/nfs/dbraw/zinc/65/80/83/597658083.db2.gz	GJLHQXDJFJJKHK-LBPRGKRZSA-N	-1	0	268.313	0.660	20	30		CCEDRM
C[C@](C#N)(CC(=O)[O-])C(=O)NC[C@@H]1CCCn2ccnc21	ZINC000819836044	597658835	/nfs/dbraw/zinc/65/88/35/597658835.db2.gz	ZWOURKBEEGTJNG-IINYFYTJSA-N	-1	0	290.323	0.881	20	30		CCEDRM
C[C@@](C#N)(CC(=O)[O-])C(=O)NCc1ncccc1F	ZINC000819848662	597658945	/nfs/dbraw/zinc/65/89/45/597658945.db2.gz	ULSXXXVKPHNKKV-LBPRGKRZSA-N	-1	0	265.244	0.841	20	30		CCEDRM
C[C@@H](C(=O)[O-])N(C)C(=O)[C@H](O)c1ccc(C#N)cc1	ZINC000819889142	597667958	/nfs/dbraw/zinc/66/79/58/597667958.db2.gz	LRAGALBYIPWPSG-GZMMTYOYSA-N	-1	0	262.265	0.523	20	30		CCEDRM
C[C@@](C#N)(CC(=O)[O-])C(=O)NCc1ccc(C(N)=O)cc1	ZINC000819843084	598222289	/nfs/dbraw/zinc/22/22/89/598222289.db2.gz	XYQHDOKVXUJTDO-AWEZNQCLSA-N	-1	0	289.291	0.406	20	30		CCEDRM
C[C@@](C#N)(CC(=O)[O-])C(=O)Nc1nc(C(N)=O)cs1	ZINC000819865628	598228201	/nfs/dbraw/zinc/22/82/01/598228201.db2.gz	MWGMLMWQZBVDEE-JTQLQIEISA-N	-1	0	282.281	0.185	20	30		CCEDRM
C[C@H](NC(=O)[C@@](C)(C#N)CC(=O)[O-])[C@@H]1CCOC1	ZINC000820115133	598228720	/nfs/dbraw/zinc/22/87/20/598228720.db2.gz	UDOVKJWEYFNPBU-YGOYTEALSA-N	-1	0	254.286	0.532	20	30		CCEDRM
C[C@@](C#N)(CC(=O)[O-])C(=O)Nc1ccc2n[nH]nc2c1	ZINC000819856667	598230195	/nfs/dbraw/zinc/23/01/95/598230195.db2.gz	LOTQFGPQOVREAY-LBPRGKRZSA-N	-1	0	273.252	0.901	20	30		CCEDRM
C[C@H](CNC(=O)COc1ccccc1C#N)C(=O)[O-]	ZINC000054333139	599780419	/nfs/dbraw/zinc/78/04/19/599780419.db2.gz	VKFGOVMUGLCUEQ-SECBINFHSA-N	-1	0	262.265	0.774	20	30		CCEDRM
C#CC(C)(C)NC(=O)[C@H](O)c1ccc(-c2nn[nH]n2)cc1	ZINC000823837299	612946004	/nfs/dbraw/zinc/94/60/04/612946004.db2.gz	ARZAXPWIFXQLAS-LLVKDONJSA-N	-1	0	285.307	0.428	20	30		CCEDRM
C#CCOc1ccc(NC(=O)N[C@@H](CO)C(=O)[O-])cc1	ZINC000797743036	613007084	/nfs/dbraw/zinc/00/70/84/613007084.db2.gz	IADBNHRJIDTAAF-NSHDSACASA-N	-1	0	278.264	0.266	20	30		CCEDRM
N#Cc1cccc(NC(=O)CN2CCO[C@H](C(=O)[O-])C2)c1	ZINC000043704795	599976210	/nfs/dbraw/zinc/97/62/10/599976210.db2.gz	WUZOIKCRNHIHQZ-LBPRGKRZSA-N	-1	0	289.291	0.282	20	30		CCEDRM
C#CCNC(=O)N[C@@](C)(CNC(=O)[O-])CC(C)C	ZINC000823455536	612947254	/nfs/dbraw/zinc/94/72/54/612947254.db2.gz	DJXUGAZVKSZKHO-GFCCVEGCSA-N	-1	0	255.318	0.991	20	30		CCEDRM
N#Cc1cccc(-c2nnc(Cn3cc(C(=O)[O-])nn3)o2)c1	ZINC000833073871	600802952	/nfs/dbraw/zinc/80/29/52/600802952.db2.gz	JHERKCYOPWEIEU-UHFFFAOYSA-N	-1	0	296.246	0.946	20	30		CCEDRM
C#CCSCC(=O)[N-]S(=O)(=O)CC(F)F	ZINC000893220792	613013004	/nfs/dbraw/zinc/01/30/04/613013004.db2.gz	QKCSOJKDMCPGIF-UHFFFAOYSA-N	-1	0	257.283	0.064	20	30		CCEDRM
C#CCSCC(=O)[N-]S(=O)(=O)C1(CC=C)CC1	ZINC000893034076	613013017	/nfs/dbraw/zinc/01/30/17/613013017.db2.gz	KJNBJXLDACXIJC-UHFFFAOYSA-N	-1	0	273.379	0.908	20	30		CCEDRM
C#CCSCC(=O)[N-]S(=O)(=O)c1ccccc1OC	ZINC000892737412	613013043	/nfs/dbraw/zinc/01/30/43/613013043.db2.gz	VNACJCASQLXPDS-UHFFFAOYSA-N	-1	0	299.373	0.867	20	30		CCEDRM
Cn1cc(C#N)c(NC(=O)N2CCC[C@@H](C(=O)[O-])C2)n1	ZINC000833040816	601138268	/nfs/dbraw/zinc/13/82/68/601138268.db2.gz	RRKNNHYETCSDAR-MRVPVSSYSA-N	-1	0	277.284	0.620	20	30		CCEDRM
Cc1oc(S(=O)(=O)N[C@H](C)CC#N)cc1C(=O)[O-]	ZINC000833028859	601219491	/nfs/dbraw/zinc/21/94/91/601219491.db2.gz	RASUKEQPIJUMBB-ZCFIWIBFSA-N	-1	0	272.282	0.867	20	30		CCEDRM
N#CCN(CC(=O)[O-])C[C@@H](O)COc1ccccc1	ZINC000833066983	601226277	/nfs/dbraw/zinc/22/62/77/601226277.db2.gz	MXANHCJBWRIQHD-LLVKDONJSA-N	-1	0	264.281	0.336	20	30		CCEDRM
C#CCNC(=O)CNc1ccc(CNC(=O)[O-])cc1	ZINC000825619405	601250017	/nfs/dbraw/zinc/25/00/17/601250017.db2.gz	LYTYYIPEVHUNPA-UHFFFAOYSA-N	-1	0	261.281	0.616	20	30		CCEDRM
COc1cc(C)ccc1C(=O)N[C@H]1CCN(O)C1=O	ZINC000820143074	617176861	/nfs/dbraw/zinc/17/68/61/617176861.db2.gz	CINNYLGKECFDSY-JTQLQIEISA-N	-1	0	264.281	0.724	20	30		CCEDRM
N#CCCCCS(=O)(=O)N1CCO[C@H](CC(=O)[O-])C1	ZINC000833065646	601397926	/nfs/dbraw/zinc/39/79/26/601397926.db2.gz	IKACGOMKIILPHC-SNVBAGLBSA-N	-1	0	290.341	0.186	20	30		CCEDRM
N#CCN1CCC[C@H](CNC(=O)[C@H]2C[C@@H]2C(=O)[O-])C1	ZINC000833066839	601438883	/nfs/dbraw/zinc/43/88/83/601438883.db2.gz	JANKZCUVCUSXNH-VWYCJHECSA-N	-1	0	265.313	0.059	20	30		CCEDRM
N#Cc1c[nH]c(C(=O)N[C@H](C(=O)[O-])c2ccccn2)c1	ZINC000833068034	601451804	/nfs/dbraw/zinc/45/18/04/601451804.db2.gz	LHSSYVUKJVHKKK-NSHDSACASA-N	-1	0	270.248	0.837	20	30		CCEDRM
NC(=O)c1ccc(N=NCc2c[nH]c(C(=O)[O-])c2)nn1	ZINC000814869928	601626170	/nfs/dbraw/zinc/62/61/70/601626170.db2.gz	FVQRSPZGXKJDAU-UHFFFAOYSA-N	-1	0	274.240	0.048	20	30		CCEDRM
O=C([O-])C[C@H]1CN(C(=O)C#Cc2ccccc2)CCO1	ZINC000091293518	601740049	/nfs/dbraw/zinc/74/00/49/601740049.db2.gz	DSXIXWIXQUZNHM-ZDUSSCGKSA-N	-1	0	273.288	0.740	20	30		CCEDRM
C[C@@H](CS(=O)(=O)N1CCC(C#N)CC1)C(=O)[O-]	ZINC000827541354	601783339	/nfs/dbraw/zinc/78/33/39/601783339.db2.gz	MJXOBJJFJDGUFP-QMMMGPOBSA-N	-1	0	260.315	0.272	20	30		CCEDRM
C#CCSCCNC(=O)C[C@H]1CN(C(=O)[O-])CCO1	ZINC000823467443	613015798	/nfs/dbraw/zinc/01/57/98/613015798.db2.gz	WLGTTZHIOCIPKP-JTQLQIEISA-N	-1	0	286.353	0.238	20	30		CCEDRM
COc1cc(C=NNC[C@@H](C)O)ccc1OCCC(=O)[O-]	ZINC000814961400	617179464	/nfs/dbraw/zinc/17/94/64/617179464.db2.gz	IJHNKEGYDSRQKE-SNVBAGLBSA-N	-1	0	296.323	0.853	20	30		CCEDRM
C#CCSCCNS(=O)(=O)N=S1(=O)CCCC1	ZINC000866852646	613018223	/nfs/dbraw/zinc/01/82/23/613018223.db2.gz	IUKLCTJTCKOJQB-UHFFFAOYSA-N	-1	0	296.439	0.449	20	30		CCEDRM
COc1cc(C=NNCC(=O)[O-])ccc1OCC#N	ZINC000814958947	617179240	/nfs/dbraw/zinc/17/92/40/617179240.db2.gz	BLAQMRRIYCWCTI-UHFFFAOYSA-N	-1	0	263.253	0.606	20	30		CCEDRM
C#CC[C@@H](CCOC)NC(=O)CSc1n[nH]c(=O)[n-]1	ZINC000863783426	613019561	/nfs/dbraw/zinc/01/95/61/613019561.db2.gz	OBONNLQFYDGGIR-QMMMGPOBSA-N	-1	0	284.341	0.147	20	30		CCEDRM
COc1cc(C=NNC[C@H](C)O)cc([N+](=O)[O-])c1[O-]	ZINC000814962602	617179568	/nfs/dbraw/zinc/17/95/68/617179568.db2.gz	OPESPOZMAUCYKJ-ZETCQYMHSA-N	-1	0	269.257	0.613	20	30		CCEDRM
CCC[C@@H](C#N)NC(=O)CN(C[C@H]1CCCO1)C(=O)[O-]	ZINC000739281655	602875162	/nfs/dbraw/zinc/87/51/62/602875162.db2.gz	AJHZVBNCDNUIHX-WDEREUQCSA-N	-1	0	283.328	0.954	20	30		CCEDRM
N#C[C@H](NC(=O)C[C@H]1CCCN1C(=O)[O-])C1CC1	ZINC000831070886	602895705	/nfs/dbraw/zinc/89/57/05/602895705.db2.gz	UKCQRWCTMMOOHS-ZJUUUORDSA-N	-1	0	251.286	0.937	20	30		CCEDRM
C#CCNC(=O)[C@H](C)OC(=O)C[C@@H]1CCCN1C(=O)[O-]	ZINC000823457444	612950820	/nfs/dbraw/zinc/95/08/20/612950820.db2.gz	ZOLKHLJFAMWPGK-UWVGGRQHSA-N	-1	0	282.296	0.200	20	30		CCEDRM
N#CCCN1C(=O)N[C@]2(CCCC[C@H]2CNC(=O)[O-])C1=O	ZINC000831097880	603405581	/nfs/dbraw/zinc/40/55/81/603405581.db2.gz	XEFYMRBBXHRHCQ-ZANVPECISA-N	-1	0	294.311	0.648	20	30		CCEDRM
C#CCNC(=O)[C@H](C)OC(=O)[C@H]1CCC[C@H](C(=O)[O-])C1	ZINC000825618333	612951241	/nfs/dbraw/zinc/95/12/41/612951241.db2.gz	AABPZMBQAHIZNM-DCAQKATOSA-N	-1	0	281.308	0.559	20	30		CCEDRM
Cc1occc1C(=O)N1CCN(C(=O)[O-])C[C@H]1C#N	ZINC000830948757	603594814	/nfs/dbraw/zinc/59/48/14/603594814.db2.gz	PMWKFWBXZHWRSK-SECBINFHSA-N	-1	0	263.253	0.916	20	30		CCEDRM
C[C@@H](C#N)CN(C)CN1C[C@@H]2CN(C(=O)[O-])CCN2C1=O	ZINC000823646779	603599124	/nfs/dbraw/zinc/59/91/24/603599124.db2.gz	GRMBXVPRSFLDNU-QWRGUYRKSA-N	-1	0	295.343	0.135	20	30		CCEDRM
NC(=O)c1ccc(N=NC2CCC[C@H]2CNC(=O)[O-])nn1	ZINC000831233923	603604443	/nfs/dbraw/zinc/60/44/43/603604443.db2.gz	KLUVNYYOYSAVJX-ZETCQYMHSA-N	-1	0	292.299	0.411	20	30		CCEDRM
N#Cc1cc(NC(=O)[C@H]2C[C@@H](O)CN2C(=O)[O-])ccc1F	ZINC000831118122	603747119	/nfs/dbraw/zinc/74/71/19/603747119.db2.gz	NAIHTVXGDYSHRV-MWLCHTKSSA-N	-1	0	293.254	0.749	20	30		CCEDRM
C[C@@H](CC(=O)OCC(=O)N[C@](C)(C#N)C1CC1)NC(=O)[O-]	ZINC000824730100	603965099	/nfs/dbraw/zinc/96/50/99/603965099.db2.gz	VUPCLBQLEFJGFA-ISVAXAHUSA-N	-1	0	297.311	0.384	20	30		CCEDRM
N#C[C@H]1CN(C(=O)[O-])CCN1C(=O)C1CCC(=O)CC1	ZINC000831076560	604067762	/nfs/dbraw/zinc/06/77/62/604067762.db2.gz	OZYCQBQIDJSVPP-JTQLQIEISA-N	-1	0	279.296	0.460	20	30		CCEDRM
N#C[C@H]1CN(C(=O)[O-])CCN1C(=O)c1cocn1	ZINC000831092289	604075361	/nfs/dbraw/zinc/07/53/61/604075361.db2.gz	RSBMANKFSBXNBF-ZETCQYMHSA-N	-1	0	250.214	0.003	20	30		CCEDRM
Cn1cc(/C=C\C(=O)N2CCN(C(=O)[O-])C[C@H]2C#N)cn1	ZINC000830999668	604078540	/nfs/dbraw/zinc/07/85/40/604078540.db2.gz	LBSYRVQIGHPROI-OTDNITJGSA-N	-1	0	289.295	0.148	20	30		CCEDRM
N#C[C@H]1CN(C(=O)[O-])CCN1C(=O)[C@@H]1CC1(Cl)Cl	ZINC000831076230	604087265	/nfs/dbraw/zinc/08/72/65/604087265.db2.gz	IJKIZAFXAQBFIZ-BQBZGAKWSA-N	-1	0	292.122	0.895	20	30		CCEDRM
C[C@@H](CCNC(=O)Nc1nn(C)cc1C#N)NC(=O)[O-]	ZINC000824803162	604153784	/nfs/dbraw/zinc/15/37/84/604153784.db2.gz	QALCIKVGLLNWFB-ZETCQYMHSA-N	-1	0	280.288	0.459	20	30		CCEDRM
N#C[C@H](C(=O)NC1CC1)C(=O)[C@H]1CC[C@@H](NC(=O)[O-])C1	ZINC000831063984	604222002	/nfs/dbraw/zinc/22/20/02/604222002.db2.gz	AIQQCHYDQZMSMS-SFGNSQDASA-N	-1	0	279.296	0.410	20	30		CCEDRM
N#Cc1ncn(CC(=O)N2Cc3ccc(C(=O)[O-])cc3C2)n1	ZINC000833078636	604310715	/nfs/dbraw/zinc/31/07/15/604310715.db2.gz	MVJCFYCJGLTUKW-UHFFFAOYSA-N	-1	0	297.274	0.390	20	30		CCEDRM
N#Cc1ncn(CC(=O)Nc2ccc(C(=O)[O-])c(F)c2)n1	ZINC000833078417	604340584	/nfs/dbraw/zinc/34/05/84/604340584.db2.gz	JHWJAKBMUPUSKS-UHFFFAOYSA-N	-1	0	289.226	0.626	20	30		CCEDRM
C#CCNC(=O)c1ccc(N[C@H]2C[C@H](C(=O)[O-])C2)nc1	ZINC000873076700	612952669	/nfs/dbraw/zinc/95/26/69/612952669.db2.gz	XCBKVXNIHWRYNL-XYPYZODXSA-N	-1	0	273.292	0.720	20	30		CCEDRM
N#CC1(C(=O)N2CCC[C@@H]2CC(=O)[O-])CCOCC1	ZINC000833065237	604578653	/nfs/dbraw/zinc/57/86/53/604578653.db2.gz	WAPNZBOYMVMWMV-SNVBAGLBSA-N	-1	0	266.297	0.772	20	30		CCEDRM
CC(C)C[C@H](C#N)NS(=O)(=O)c1ccc(C(=O)[O-])nc1	ZINC000833474868	604701008	/nfs/dbraw/zinc/70/10/08/604701008.db2.gz	ZRNLTRLRQDZUDJ-SECBINFHSA-N	-1	0	297.336	0.996	20	30		CCEDRM
C[C@](C#N)(NC(=O)COC(=O)C1(NC(=O)[O-])CC1)C1CC1	ZINC000823648821	604754320	/nfs/dbraw/zinc/75/43/20/604754320.db2.gz	XRZMGVRVSYZYTF-GFCCVEGCSA-N	-1	0	295.295	0.138	20	30		CCEDRM
C[C@@H](CC#N)NC(=O)C[C@H]1CN(C(=O)[O-])CCO1	ZINC000824545367	604789037	/nfs/dbraw/zinc/78/90/37/604789037.db2.gz	WRQFJUIKTNLVTK-IUCAKERBSA-N	-1	0	255.274	0.174	20	30		CCEDRM
N#CCn1cc(NC(=O)C[C@H]2CN(C(=O)[O-])CCO2)cn1	ZINC000831109040	604789399	/nfs/dbraw/zinc/78/93/99/604789399.db2.gz	ADWRCMKVLZRTRM-JTQLQIEISA-N	-1	0	293.283	0.114	20	30		CCEDRM
C[C@H](CC#N)N(C)C(=O)[C@H]1CN(C(=O)[O-])CCO1	ZINC000824544500	604832202	/nfs/dbraw/zinc/83/22/02/604832202.db2.gz	QWIDKLPMGULZRD-RKDXNWHRSA-N	-1	0	255.274	0.126	20	30		CCEDRM
C[C@H](NC(=O)[O-])C(=O)OCC(=O)Nc1ccc(C#N)cc1	ZINC000833741132	604958067	/nfs/dbraw/zinc/95/80/67/604958067.db2.gz	ZWFGLBAQKCMXGV-QMMMGPOBSA-N	-1	0	291.263	0.696	20	30		CCEDRM
N#C[C@H](OC(=O)[C@@H]1CN(C(=O)[O-])CCO1)C1CC1	ZINC000831070996	605085242	/nfs/dbraw/zinc/08/52/42/605085242.db2.gz	WPBFOPWRXSSSNB-IUCAKERBSA-N	-1	0	254.242	0.211	20	30		CCEDRM
N#C[C@@H](OC(=O)C[C@@H]1CN(C(=O)[O-])CCO1)C1CC1	ZINC000831070372	605085585	/nfs/dbraw/zinc/08/55/85/605085585.db2.gz	JRGLVUIMNXCZLB-NXEZZACHSA-N	-1	0	268.269	0.601	20	30		CCEDRM
C#CCCCCNC(=O)NCC1(C(=O)[O-])CCOCC1	ZINC000229756293	605087982	/nfs/dbraw/zinc/08/79/82/605087982.db2.gz	CJVHRWWBMVFRLO-UHFFFAOYSA-N	-1	0	282.340	0.971	20	30		CCEDRM
C#CCNC(=S)Nc1ccc(F)c(-c2nn[nH]n2)c1	ZINC000823850845	612953930	/nfs/dbraw/zinc/95/39/30/612953930.db2.gz	VGCYZOZJJZLCBB-UHFFFAOYSA-N	-1	0	276.300	0.925	20	30		CCEDRM
N#CCc1ccc(Cn2nnnc2CNC(=O)[O-])cc1	ZINC000833966469	605306354	/nfs/dbraw/zinc/30/63/54/605306354.db2.gz	AGURDADISLSFIC-UHFFFAOYSA-N	-1	0	272.268	0.555	20	30		CCEDRM
N#C[C@H](C(=O)CC[C@@H]1CCN(C(=O)[O-])C1)C(=O)NC1CC1	ZINC000833959594	605487426	/nfs/dbraw/zinc/48/74/26/605487426.db2.gz	APHFIKWJAZKWII-MWLCHTKSSA-N	-1	0	293.323	0.754	20	30		CCEDRM
N#CC1(NC(=O)CO[C@@H]2CCCN(C(=O)[O-])C2)CCC1	ZINC000831075702	605670806	/nfs/dbraw/zinc/67/08/06/605670806.db2.gz	CBUCONWWYYNKFQ-SNVBAGLBSA-N	-1	0	281.312	0.708	20	30		CCEDRM
Cc1onc(CC(=O)N2CCN(C(=O)[O-])CC2)c1C#N	ZINC000833935803	605680060	/nfs/dbraw/zinc/68/00/60/605680060.db2.gz	JNKIGUYDUVBLBI-UHFFFAOYSA-N	-1	0	278.268	0.219	20	30		CCEDRM
Cc1onc(CC(=O)NCC(C)(C)NC(=O)[O-])c1C#N	ZINC000833934805	605693408	/nfs/dbraw/zinc/69/34/08/605693408.db2.gz	CCFMKMRKOXHCJE-UHFFFAOYSA-N	-1	0	280.284	0.560	20	30		CCEDRM
Cc1onc(CC(=O)N2CCN(C(=O)[O-])[C@@H](C)C2)c1C#N	ZINC000833936824	605697738	/nfs/dbraw/zinc/69/77/38/605697738.db2.gz	QYUWIDKIRMPIQW-QMMMGPOBSA-N	-1	0	292.295	0.608	20	30		CCEDRM
N#C[C@H]1CN(C(=O)[O-])CCN1C(=O)c1ccc2cc[nH]c2n1	ZINC000833967417	605697987	/nfs/dbraw/zinc/69/79/87/605697987.db2.gz	QZGNTMOATMYTLI-JTQLQIEISA-N	-1	0	299.290	0.891	20	30		CCEDRM
O=C([O-])N1CCOC[C@H]1[C@H]1CCCC1=NN1CCOCC1	ZINC000834115501	605738918	/nfs/dbraw/zinc/73/89/18/605738918.db2.gz	FOPOZFYHQWWIPI-AAEUAGOBSA-N	-1	0	297.355	0.854	20	30		CCEDRM
O=C([O-])N[C@H]1CCCC1N=Nc1ncnc2[nH]cnc21	ZINC000834169123	605858656	/nfs/dbraw/zinc/85/86/56/605858656.db2.gz	LCCRPGKWCOWJAR-LURJTMIESA-N	-1	0	275.272	0.941	20	30		CCEDRM
N#CC1(C(=O)NC[C@@H](NC(=O)[O-])C2CC2)CCOCC1	ZINC000833964019	605915378	/nfs/dbraw/zinc/91/53/78/605915378.db2.gz	BGRXKBQYKNKVML-SNVBAGLBSA-N	-1	0	281.312	0.469	20	30		CCEDRM
C[C@H](CNC(=O)[O-])CNC(=O)c1ccc(C#N)[nH]1	ZINC000833805717	605916309	/nfs/dbraw/zinc/91/63/09/605916309.db2.gz	HFQILPVXPSQVSC-ZETCQYMHSA-N	-1	0	250.258	0.520	20	30		CCEDRM
N#C[C@H]1COCCN1C(=O)CCCCNC(=O)[O-]	ZINC000833968743	605923603	/nfs/dbraw/zinc/92/36/03/605923603.db2.gz	XRMXVFBLVMFDAN-VIFPVBQESA-N	-1	0	255.274	0.175	20	30		CCEDRM
N#C[C@@H]1CSCCN1C(=O)CCCCNC(=O)[O-]	ZINC000833966204	605931300	/nfs/dbraw/zinc/93/13/00/605931300.db2.gz	IGUZQGLRYTWKNH-SECBINFHSA-N	-1	0	271.342	0.892	20	30		CCEDRM
N#CCC1CCN(C(=O)[C@H]2C[C@H](O)CN2C(=O)[O-])CC1	ZINC000833967862	605932558	/nfs/dbraw/zinc/93/25/58/605932558.db2.gz	HREFRLATUOREQP-WDEREUQCSA-N	-1	0	281.312	0.252	20	30		CCEDRM
O=C([O-])N1CCC(N=NC2=N[C@H]3CCCC[C@@H]3N2)CC1	ZINC000834070696	605992578	/nfs/dbraw/zinc/99/25/78/605992578.db2.gz	HKHNNFFARDRICK-QWRGUYRKSA-N	-1	0	279.344	0.976	20	30		CCEDRM
N#CC1(COC(=O)[C@@H]2CN(C(=O)[O-])CCO2)CC1	ZINC000833964516	606001192	/nfs/dbraw/zinc/00/11/92/606001192.db2.gz	JHSKDVZKTKCJSW-QMMMGPOBSA-N	-1	0	254.242	0.212	20	30		CCEDRM
N#CC1(COC(=O)[C@H]2CN(C(=O)[O-])CCO2)CC1	ZINC000833964515	606001486	/nfs/dbraw/zinc/00/14/86/606001486.db2.gz	JHSKDVZKTKCJSW-MRVPVSSYSA-N	-1	0	254.242	0.212	20	30		CCEDRM
C#CCCS(=O)(=O)[N-]C(=O)[C@@H](C)Cc1ccco1	ZINC000850999351	613052893	/nfs/dbraw/zinc/05/28/93/613052893.db2.gz	DBLWKCDNOBSAGJ-JTQLQIEISA-N	-1	0	269.322	0.928	20	30		CCEDRM
C#CCCS(=O)(=O)[N-]C(=O)CC[C@@H]1CCOC1	ZINC000788071407	613052680	/nfs/dbraw/zinc/05/26/80/613052680.db2.gz	PIOKTFZBYAHWTR-SNVBAGLBSA-N	-1	0	259.327	0.272	20	30		CCEDRM
C#CCCS(=O)(=O)[N-]C(=O)CC1(COC)CC1	ZINC000842780307	613052757	/nfs/dbraw/zinc/05/27/57/613052757.db2.gz	JPFWUHNJWQNFTP-UHFFFAOYSA-N	-1	0	259.327	0.272	20	30		CCEDRM
C#CCCS(=O)(=O)[N-]C(=O)c1c(C2CC2)cnn1C	ZINC000851000571	613053306	/nfs/dbraw/zinc/05/33/06/613053306.db2.gz	WPUDDDNUPTUPHR-UHFFFAOYSA-N	-1	0	281.337	0.380	20	30		CCEDRM
C#CCCS(=O)(=O)[N-]C(=O)c1cnn(C)c1C(F)F	ZINC000810782880	613053803	/nfs/dbraw/zinc/05/38/03/613053803.db2.gz	VPFWIHPLSKTKRA-UHFFFAOYSA-N	-1	0	291.279	0.441	20	30		CCEDRM
C#CCCS(=O)(=O)[N-]C(=O)[C@@H]1O[C@@H](C)C[C@@H]1C	ZINC000810785545	613053162	/nfs/dbraw/zinc/05/31/62/613053162.db2.gz	LLHYTYVDGCDCDU-LPEHRKFASA-N	-1	0	259.327	0.269	20	30		CCEDRM
C#CCCS(=O)(=O)[N-][C@@H](c1cnn(C)c1)C(F)(F)F	ZINC000808308387	613054770	/nfs/dbraw/zinc/05/47/70/613054770.db2.gz	CPZQSFIPLKPNBR-VIFPVBQESA-N	-1	0	295.286	0.966	20	30		CCEDRM
C#CC[C@H](NC(=O)CCc1cc(C)on1)C(=O)[O-]	ZINC000910049000	613067713	/nfs/dbraw/zinc/06/77/13/613067713.db2.gz	QPUUSJCVZHDFNB-JTQLQIEISA-N	-1	0	250.254	0.508	20	30		CCEDRM
C#CC[C@H](NC(=O)[C@H](CC)N1CCO[C@H](CC)C1)C(=O)[O-]	ZINC000910050095	613069306	/nfs/dbraw/zinc/06/93/06/613069306.db2.gz	FFOPDINNDORIPK-AGIUHOORSA-N	-1	0	296.367	0.469	20	30		CCEDRM
Cc1nc(-c2nnn[n-]2)c(N=NCc2[nH]cnc2C)o1	ZINC000826322851	607886758	/nfs/dbraw/zinc/88/67/58/607886758.db2.gz	DOJDLMJALBEYJQ-UHFFFAOYSA-N	-1	0	273.260	0.641	20	30		CCEDRM
Cc1nc(-c2nnn[n-]2)c(N=NCc2cn(C)nc2C)o1	ZINC000826323189	607887069	/nfs/dbraw/zinc/88/70/69/607887069.db2.gz	UMGOQNUBKXRGGD-UHFFFAOYSA-N	-1	0	287.287	0.651	20	30		CCEDRM
Cc1nc(-c2nnn[n-]2)c(N=NCc2cc[nH]n2)o1	ZINC000826323267	607887198	/nfs/dbraw/zinc/88/71/98/607887198.db2.gz	XPQQDGMUJYEISF-UHFFFAOYSA-N	-1	0	259.233	0.332	20	30		CCEDRM
N#Cc1cccc(Cn2cccc(-c3nnn[n-]3)c2=O)c1	ZINC000826386448	608152990	/nfs/dbraw/zinc/15/29/90/608152990.db2.gz	FRYHLCHJYUMBEO-UHFFFAOYSA-N	-1	0	278.275	0.948	20	30		CCEDRM
C#CCN(CC(=O)OC(C)(C)C)S(=O)(=O)c1ncc[n-]1	ZINC000867509322	613105004	/nfs/dbraw/zinc/10/50/04/613105004.db2.gz	SFOIAVWOJHVELH-UHFFFAOYSA-N	-1	0	299.352	0.375	20	30		CCEDRM
C#CCCCCC(=O)N[C@H](CC(=O)[O-])C(=O)OC	ZINC000833363048	612975703	/nfs/dbraw/zinc/97/57/03/612975703.db2.gz	XYAZQYVHJIWNAT-SECBINFHSA-N	-1	0	255.270	0.313	20	30		CCEDRM
CC(C)C(=O)N1CCN(C(=O)[C@](C)(C#N)CC(=O)[O-])CC1	ZINC000819955272	614369369	/nfs/dbraw/zinc/36/93/69/614369369.db2.gz	QBACNCYRKDGWHD-AWEZNQCLSA-N	-1	0	295.339	0.318	20	30		CCEDRM
C#CCCCNC(=O)C(=O)NC[C@@H](CC(C)C)C(=O)[O-]	ZINC000818656646	612980160	/nfs/dbraw/zinc/98/01/60/612980160.db2.gz	HGQKAFMHWIAOGS-LLVKDONJSA-N	-1	0	282.340	0.379	20	30		CCEDRM
COc1ccc(C(=O)[O-])cc1C=NN1CCN(C)CC1	ZINC000901122775	617235447	/nfs/dbraw/zinc/23/54/47/617235447.db2.gz	GRVISKHIQQOODM-UHFFFAOYSA-N	-1	0	277.324	0.975	20	30		CCEDRM
C[C@@H](C#N)C(=O)N(C1CC1)[C@@H]1CCN(C(=O)[O-])C1	ZINC000823646344	617286886	/nfs/dbraw/zinc/28/68/86/617286886.db2.gz	AGWHVPVHXYRENJ-WCBMZHEXSA-N	-1	0	251.286	0.889	20	30		CCEDRM
C#CCCCCC(=O)[N-]S(=O)(=O)C[C@@H](COC)OC	ZINC000853207432	612975654	/nfs/dbraw/zinc/97/56/54/612975654.db2.gz	ZVRNTJCBXSTVAS-LLVKDONJSA-N	-1	0	291.369	0.287	20	30		CCEDRM
C#CCOC(=O)c1cc(F)ccc1[N-]S(C)(=O)=O	ZINC000915008025	612977105	/nfs/dbraw/zinc/97/71/05/612977105.db2.gz	QHAIJTYLWRFJDP-UHFFFAOYSA-N	-1	0	271.269	0.987	20	30		CCEDRM
C#CCCCCNC(=O)C(=O)NC[C@H](CC)C(=O)[O-]	ZINC000927942970	612977179	/nfs/dbraw/zinc/97/71/79/612977179.db2.gz	LBVUKVRNSXHOPR-JTQLQIEISA-N	-1	0	268.313	0.133	20	30		CCEDRM
C#CCCCCNC(=O)COC1CN(C(=O)[O-])C1	ZINC000823440646	612977431	/nfs/dbraw/zinc/97/74/31/612977431.db2.gz	CQMCCZVXPXDLLT-UHFFFAOYSA-N	-1	0	254.286	0.285	20	30		CCEDRM
C#CCCCNC(=O)C(=O)NC[C@H](CC(C)C)C(=O)[O-]	ZINC000818656647	612980278	/nfs/dbraw/zinc/98/02/78/612980278.db2.gz	HGQKAFMHWIAOGS-NSHDSACASA-N	-1	0	282.340	0.379	20	30		CCEDRM
C#CCCCNC(=O)N1C[C@H](C(=O)OC)CC[C@@H]1C(=O)[O-]	ZINC000909028481	612981859	/nfs/dbraw/zinc/98/18/59/612981859.db2.gz	SDQZHPFMVVZVJH-GHMZBOCLSA-N	-1	0	296.323	0.448	20	30		CCEDRM
C#CCCCNC(=O)[C@H](O)c1ccc(-c2nn[nH]n2)cc1	ZINC000823840736	612982633	/nfs/dbraw/zinc/98/26/33/612982633.db2.gz	CVTBHIURTXAQBX-GFCCVEGCSA-N	-1	0	285.307	0.430	20	30		CCEDRM
C#CCOCCNC(=O)N1CCC[C@@H](CC(=O)[O-])C1	ZINC000819705737	612985958	/nfs/dbraw/zinc/98/59/58/612985958.db2.gz	CMIWWAUJYVNWMW-NSHDSACASA-N	-1	0	268.313	0.533	20	30		CCEDRM
C#CCO[N-]C(=O)CSCC(=O)N1CCCCC1	ZINC000812784867	612992034	/nfs/dbraw/zinc/99/20/34/612992034.db2.gz	LRKRDKUQRZTOEO-UHFFFAOYSA-N	-1	0	270.354	0.413	20	30		CCEDRM
C#CCO[N-]C(=O)Cc1occ(C)c1C(=O)NOCC#C	ZINC000824483838	612992479	/nfs/dbraw/zinc/99/24/79/612992479.db2.gz	LZTARCVWDHRFQK-UHFFFAOYSA-N	-1	0	290.275	0.106	20	30		CCEDRM
C#CCO[N-]C(=O)[C@H]1CC(c2ccccc2[N+](=O)[O-])=NO1	ZINC000812780968	612993035	/nfs/dbraw/zinc/99/30/35/612993035.db2.gz	CEOWEDBDSBIHAL-GFCCVEGCSA-N	-1	0	289.247	0.769	20	30		CCEDRM
C#CCO[C@@H](C)C(=O)N1CC2(CCC2)[C@](F)(C(=O)[O-])C1	ZINC000909937322	612994350	/nfs/dbraw/zinc/99/43/50/612994350.db2.gz	ZIWZJOAZKMQIJC-IINYFYTJSA-N	-1	0	283.299	0.830	20	30		CCEDRM
C#CCO[C@@H](C)C(=O)OCC(=O)[N-]OCc1ccccc1	ZINC000837847283	612998094	/nfs/dbraw/zinc/99/80/94/612998094.db2.gz	IWZPDVSBCYLIDG-LBPRGKRZSA-N	-1	0	291.303	0.816	20	30		CCEDRM
C#CCO[C@H](C)C(=O)N1CC[C@H](C(=O)[O-])[C@H](C)C1	ZINC000909988765	613000484	/nfs/dbraw/zinc/00/04/84/613000484.db2.gz	ZKCZTTFYOAYZEP-MXWKQRLJSA-N	-1	0	253.298	0.594	20	30		CCEDRM
C#CCO[C@H](C)C(=O)N1CCc2occc2[C@@H]1C(=O)[O-]	ZINC000910206369	613000520	/nfs/dbraw/zinc/00/05/20/613000520.db2.gz	RSOKFBCAIQHELO-BXKDBHETSA-N	-1	0	277.276	0.828	20	30		CCEDRM
C#CCO[C@H](C)C(=O)[N-]S(=O)(=O)C[C@@H]1CCCCO1	ZINC000835126476	613002207	/nfs/dbraw/zinc/00/22/07/613002207.db2.gz	HUDJFISTQIFVBL-MNOVXSKESA-N	-1	0	289.353	0.040	20	30		CCEDRM
C#CCO[C@H](C)C(=O)N[C@H](C(=O)[O-])[C@H]1CCC[C@H](OC)C1	ZINC000909914068	613003052	/nfs/dbraw/zinc/00/30/52/613003052.db2.gz	MXLUBNMZFJSGIB-VOAKCMCISA-N	-1	0	297.351	0.799	20	30		CCEDRM
C#CCSCCNC(=O)N[C@](C)(CCF)C(=O)[O-]	ZINC000909051556	613017745	/nfs/dbraw/zinc/01/77/45/613017745.db2.gz	BVXWFCFGLIRTGJ-LLVKDONJSA-N	-1	0	276.333	0.855	20	30		CCEDRM
C#CC[C@@H](CO)NC(=O)c1cc([O-])cc([N+](=O)[O-])c1	ZINC000854546172	613028820	/nfs/dbraw/zinc/02/88/20/613028820.db2.gz	YQOAFFSFSZJQKF-VIFPVBQESA-N	-1	0	264.237	0.414	20	30		CCEDRM
C#CC[C@@H](NC(=O)CN1CCc2ccccc21)C(=O)[O-]	ZINC000910053382	613039779	/nfs/dbraw/zinc/03/97/79/613039779.db2.gz	GMBONTKIURRLDD-GFCCVEGCSA-N	-1	0	272.304	0.642	20	30		CCEDRM
C#CC[C@@H](NC(=O)c1cc(C2CC2)nn1C)C(=O)[O-]	ZINC000907719852	613041721	/nfs/dbraw/zinc/04/17/21/613041721.db2.gz	VEKHSRXNGWYBDA-SECBINFHSA-N	-1	0	261.281	0.504	20	30		CCEDRM
C#CC[C@@H](NC(=O)c1cc(C2CC2)nn1CC)C(=O)[O-]	ZINC000910047951	613041827	/nfs/dbraw/zinc/04/18/27/613041827.db2.gz	AOZYRZOEFRHEKF-SNVBAGLBSA-N	-1	0	275.308	0.987	20	30		CCEDRM
C#CC[C@@H](NC(=O)c1cn(C)nc1C(C)(C)C)C(=O)[O-]	ZINC000910050102	613042174	/nfs/dbraw/zinc/04/21/74/613042174.db2.gz	FKBPPBZBIXSQSC-SNVBAGLBSA-N	-1	0	277.324	0.924	20	30		CCEDRM
C#CC[C@@H](NC(=O)c1cnn(CC(C)C)c1)C(=O)[O-]	ZINC000910048402	613042203	/nfs/dbraw/zinc/04/22/03/613042203.db2.gz	KWWGKSRYPCUBHV-LLVKDONJSA-N	-1	0	263.297	0.745	20	30		CCEDRM
C#CC[C@@H](NC(=O)c1cnc(COC)s1)C(=O)[O-]	ZINC000910050887	613042242	/nfs/dbraw/zinc/04/22/42/613042242.db2.gz	PNMWXVANWASOHI-SSDOTTSWSA-N	-1	0	268.294	0.496	20	30		CCEDRM
C#CCCNC(=O)C(=O)Nc1cc(F)c(F)cc1C(=O)[O-]	ZINC000833365010	613046738	/nfs/dbraw/zinc/04/67/38/613046738.db2.gz	GZJZMTGSEHYWHP-UHFFFAOYSA-N	-1	0	296.229	0.741	20	30		CCEDRM
C#CCCNC(=O)N[C@H](CNC(=O)[O-])CC(C)C	ZINC000823444953	613047694	/nfs/dbraw/zinc/04/76/94/613047694.db2.gz	RLUCHMZFORCIEK-JTQLQIEISA-N	-1	0	255.318	0.991	20	30		CCEDRM
C#CCCOC(=O)Cc1c(C)nc2cc[n-]n2c1=O	ZINC000103801625	613048350	/nfs/dbraw/zinc/04/83/50/613048350.db2.gz	UDTQSMYFLNVYGC-UHFFFAOYSA-N	-1	0	259.265	0.440	20	30		CCEDRM
C#CCCS(=O)(=O)[N-]C(=O)c1cc(C(=O)OC)oc1C	ZINC000851000051	613053320	/nfs/dbraw/zinc/05/33/20/613053320.db2.gz	NWGJZGDHMJPLNY-UHFFFAOYSA-N	-1	0	299.304	0.458	20	30		CCEDRM
C#CCCS(=O)(=O)[N-]C(=O)c1cnn(C)c1C1CC1	ZINC000810779179	613053717	/nfs/dbraw/zinc/05/37/17/613053717.db2.gz	BTMMTGJRODJZIX-UHFFFAOYSA-N	-1	0	281.337	0.380	20	30		CCEDRM
C#CCCS(=O)(=O)[N-]C(=O)c1cnn2c1C[C@@H](C)CC2	ZINC000842780310	613053896	/nfs/dbraw/zinc/05/38/96/613053896.db2.gz	JXYRGEGPLZZCNU-JTQLQIEISA-N	-1	0	295.364	0.548	20	30		CCEDRM
C#CCC[C@@H](O)CN=c1nn[n-]n1Cc1ccccc1	ZINC000893674159	613055471	/nfs/dbraw/zinc/05/54/71/613055471.db2.gz	WYQDUQSSQHLHHL-CYBMUJFWSA-N	-1	0	271.324	0.330	20	30		CCEDRM
C#CC[C@H](CO)NC(=O)c1cc([N+](=O)[O-])ccc1[O-]	ZINC000854544832	613057552	/nfs/dbraw/zinc/05/75/52/613057552.db2.gz	WOUBENREEWXZSL-MRVPVSSYSA-N	-1	0	264.237	0.414	20	30		CCEDRM
C#CC[C@H](CO)NC(=O)c1ccc(C(=O)[O-])s1	ZINC000911395869	613057649	/nfs/dbraw/zinc/05/76/49/613057649.db2.gz	WFRJHSVWSDPGFD-SSDOTTSWSA-N	-1	0	253.279	0.560	20	30		CCEDRM
C#CCN(C(=O)C(=O)NC[C@@H](C)C(=O)[O-])C1CCCCC1	ZINC000848608759	613065108	/nfs/dbraw/zinc/06/51/08/613065108.db2.gz	HDMBPZVUBJYTFL-LLVKDONJSA-N	-1	0	294.351	0.618	20	30		CCEDRM
C#CC[C@H](NC(=O)C[C@H]1CCCC[C@@H]1O)C(=O)[O-]	ZINC000910050875	613068007	/nfs/dbraw/zinc/06/80/07/613068007.db2.gz	PEDCQFKXIJGNFP-VWYCJHECSA-N	-1	0	253.298	0.520	20	30		CCEDRM
C#CC[C@H](NC(=O)Cc1csc2nccn12)C(=O)[O-]	ZINC000910054720	613068277	/nfs/dbraw/zinc/06/82/77/613068277.db2.gz	WNNGZAQBYJDLTC-VIFPVBQESA-N	-1	0	277.305	0.531	20	30		CCEDRM
C#CC[C@H](NC(=O)c1cn(CCOC)nc1C)C(=O)[O-]	ZINC000910047972	613070356	/nfs/dbraw/zinc/07/03/56/613070356.db2.gz	BBUIGFHXWXXRCG-NSHDSACASA-N	-1	0	279.296	0.044	20	30		CCEDRM
C#CC[C@H](NC(=O)c1csc(NCC)n1)C(=O)[O-]	ZINC000910051372	613070656	/nfs/dbraw/zinc/07/06/56/613070656.db2.gz	UBUXEBTYLWVIMP-ZETCQYMHSA-N	-1	0	267.310	0.781	20	30		CCEDRM
C#C[C@@H](C)NS(=O)(=O)c1cn(C)nc1Br	ZINC000867198046	613082199	/nfs/dbraw/zinc/08/21/99/613082199.db2.gz	CZIIPQFUUFGADI-ZCFIWIBFSA-N	-1	0	292.158	0.483	20	30		CCEDRM
C#C[C@@H](CC)NC(=O)c1ccc([N-]S(C)(=O)=O)nc1	ZINC000861309132	613084318	/nfs/dbraw/zinc/08/43/18/613084318.db2.gz	KBHPMRKICJBKFA-JTQLQIEISA-N	-1	0	281.337	0.595	20	30		CCEDRM
C#CCN(C/C=C(/C)C(=O)[O-])[C@H]1CCS(=O)(=O)C1	ZINC000825614300	613097772	/nfs/dbraw/zinc/09/77/72/613097772.db2.gz	LIUPPKZZSIFFGZ-FGUAACIASA-N	-1	0	271.338	0.140	20	30		CCEDRM
C#CCN(CC#CC)C(=O)[C@H](C)O[C@H](C)C(=O)[O-]	ZINC000872935837	613100232	/nfs/dbraw/zinc/10/02/32/613100232.db2.gz	UDJUABLVBOVYNK-WDEREUQCSA-N	-1	0	251.282	0.350	20	30		CCEDRM
C#CCN(CC#CC)S(=O)(=O)c1cc(C)c(C(=O)[O-])o1	ZINC000853230199	613100567	/nfs/dbraw/zinc/10/05/67/613100567.db2.gz	BWVFHYGBKSNCTR-UHFFFAOYSA-N	-1	0	295.316	0.933	20	30		CCEDRM
COc1ccccc1NC(=O)CN(CC#N)CC(=O)[O-]	ZINC000832622637	617316203	/nfs/dbraw/zinc/31/62/03/617316203.db2.gz	DZGLTGGLVAGGHI-UHFFFAOYSA-N	-1	0	277.280	0.544	20	30		CCEDRM
C#C[C@H](C)N(C)C(=O)CC1(C(=O)[O-])CCOCC1	ZINC000911385073	613113387	/nfs/dbraw/zinc/11/33/87/613113387.db2.gz	NAIPUVRANZZBFO-JTQLQIEISA-N	-1	0	253.298	0.738	20	30		CCEDRM
C#C[C@H](CO)NC(=O)C12CCC(C(=O)[O-])(CC1)CC2	ZINC000911611074	613124617	/nfs/dbraw/zinc/12/46/17/613124617.db2.gz	HMDYZVMKUDYSQO-GWMXKSKGSA-N	-1	0	265.309	0.522	20	30		CCEDRM
C#C[C@H](NC(=O)N1CC[C@H](C)[C@@H](C(=O)[O-])C1)[C@@H]1CCCO1	ZINC000831038141	613137440	/nfs/dbraw/zinc/13/74/40/613137440.db2.gz	FDEVHVVQJYLVBD-CYDGBPFRSA-N	-1	0	294.351	0.919	20	30		CCEDRM
C#C[C@H](NC(=O)N[C@H]1C[C@H](C(=O)[O-])C1)[C@H]1CCCO1	ZINC000874399295	613143150	/nfs/dbraw/zinc/14/31/50/613143150.db2.gz	VESYVDRNJMZPRU-XWLWVQCSSA-N	-1	0	266.297	0.330	20	30		CCEDRM
C#C[C@H]1CCCN(C(=O)Cn2cc(C(=O)[O-])cn2)C1	ZINC000911410785	613156941	/nfs/dbraw/zinc/15/69/41/613156941.db2.gz	ZMJCEJQWTGNXCS-JTQLQIEISA-N	-1	0	261.281	0.453	20	30		CCEDRM
C#CCN1CCC[C@H]1C(=O)N1C[C@@H](CC)[C@](F)(C(=O)[O-])C1	ZINC000910549764	613197638	/nfs/dbraw/zinc/19/76/38/613197638.db2.gz	URQUEPVOEATPKE-XUJVJEKNSA-N	-1	0	296.342	0.745	20	30		CCEDRM
C#CCN1CCC[C@H]1C(=O)N[C@@H](CC1CC1)C(=O)[O-]	ZINC000910378825	613200925	/nfs/dbraw/zinc/20/09/25/613200925.db2.gz	BVGGQWVAFSFJBK-RYUDHWBXSA-N	-1	0	264.325	0.454	20	30		CCEDRM
C#Cc1cccc(CNC(=O)[C@H]2CC[C@@H](C(=O)[O-])O2)c1	ZINC000840729796	613201177	/nfs/dbraw/zinc/20/11/77/613201177.db2.gz	DGEORHCLFIYOLU-OLZOCXBDSA-N	-1	0	273.288	0.916	20	30		CCEDRM
C#Cc1cccc(NC(=O)NCc2n[nH]c(=O)[n-]2)c1	ZINC000128669732	613204481	/nfs/dbraw/zinc/20/44/81/613204481.db2.gz	LMIHIAHRIMLPHW-UHFFFAOYSA-N	-1	0	257.253	0.401	20	30		CCEDRM
C#CCN1CCN(C(=O)CS[C@@H](C)CC(=O)[O-])CC1	ZINC000825619066	613205801	/nfs/dbraw/zinc/20/58/01/613205801.db2.gz	JUNZDSRJTUPPCN-NSHDSACASA-N	-1	0	284.381	0.360	20	30		CCEDRM
C#Cc1cncc(C(=O)[N-]N2C(=O)N[C@@](C)(CC)C2=O)c1	ZINC000806309334	613218972	/nfs/dbraw/zinc/21/89/72/613218972.db2.gz	RBWZUBYYTODVRK-AWEZNQCLSA-N	-1	0	286.291	0.428	20	30		CCEDRM
COc1ccnc(C(=O)[N-]S(=O)(=O)CC(C)(C)C#N)c1	ZINC000842752123	617324456	/nfs/dbraw/zinc/32/44/56/617324456.db2.gz	HWZNJYGJGWDOHT-UHFFFAOYSA-N	-1	0	297.336	0.700	20	30		CCEDRM
C#CCN1C[C@H](NC(=O)c2[nH]nc(C)c2[O-])C(C)(C)C1	ZINC000973047769	613301814	/nfs/dbraw/zinc/30/18/14/613301814.db2.gz	MNMXWGVTHXUILN-JTQLQIEISA-N	-1	0	276.340	0.497	20	30		CCEDRM
C=C(C)CNC(=S)N1CCC([C@@H](O)C(=O)[O-])CC1	ZINC000833369154	613346680	/nfs/dbraw/zinc/34/66/80/613346680.db2.gz	HKKKYRFHGAMDEX-SNVBAGLBSA-N	-1	0	272.370	0.595	20	30		CCEDRM
C=C(C)COCCNC(=O)[C@@H]1CCCN1C(=O)[O-]	ZINC000823480758	613352166	/nfs/dbraw/zinc/35/21/66/613352166.db2.gz	NMESAIMHWAHGDW-JTQLQIEISA-N	-1	0	256.302	0.838	20	30		CCEDRM
C=C(C)CO[N-]C(=O)C(=O)Nc1cnc(CC)nc1	ZINC000846145416	613352359	/nfs/dbraw/zinc/35/23/59/613352359.db2.gz	CCXXWWFOGWWHBK-UHFFFAOYSA-N	-1	0	264.285	0.601	20	30		CCEDRM
C=C(C)CS(=O)(=O)N[C@@H]1CCN(c2cc(=O)[nH]cn2)C1	ZINC000908239796	613354239	/nfs/dbraw/zinc/35/42/39/613354239.db2.gz	DNHPGFCNXADHDS-SNVBAGLBSA-N	-1	0	298.368	0.256	20	30		CCEDRM
C=C(C)C[C@@H](NC(=O)CSCC(=O)[O-])C(=O)OCC	ZINC000902692313	613355786	/nfs/dbraw/zinc/35/57/86/613355786.db2.gz	NFVKYPAKUDNGMY-SECBINFHSA-N	-1	0	289.353	0.818	20	30		CCEDRM
C=C(C)C[C@@H](NC(=O)Cc1cc(C)[nH]n1)C(=O)[O-]	ZINC000910291643	613355848	/nfs/dbraw/zinc/35/58/48/613355848.db2.gz	KWQIUFHTMOLPNL-SNVBAGLBSA-N	-1	0	251.286	0.796	20	30		CCEDRM
C=C(C)C[C@@H](NC(=O)Cn1nnc2c1CCCC2)C(=O)[O-]	ZINC000910293696	613355873	/nfs/dbraw/zinc/35/58/73/613355873.db2.gz	KNGNYRJHPKRUPV-LLVKDONJSA-N	-1	0	292.339	0.693	20	30		CCEDRM
C=C(C)C[C@@H](NC(=O)NCCc1ccn(C)n1)C(=O)[O-]	ZINC000909144091	613355932	/nfs/dbraw/zinc/35/59/32/613355932.db2.gz	AXSHHMPFFLMQTH-LLVKDONJSA-N	-1	0	280.328	0.681	20	30		CCEDRM
C=C(C)C[C@@H](NC(=O)[C@@H]1CN(CC)CCO1)C(=O)[O-]	ZINC000910292254	613356031	/nfs/dbraw/zinc/35/60/31/613356031.db2.gz	NZYSQMKMSWBQFZ-MNOVXSKESA-N	-1	0	270.329	0.243	20	30		CCEDRM
C=C(C)C[C@H](C)C(=O)[N-]S(=O)(=O)C[C@@H](COC)OC	ZINC000853206060	613357044	/nfs/dbraw/zinc/35/70/44/613357044.db2.gz	LTJJADKXPWHRPL-WDEREUQCSA-N	-1	0	293.385	0.696	20	30		CCEDRM
C=C(C)C[C@H](NC(=O)CCc1cn[nH]c1)C(=O)[O-]	ZINC000910293131	613358652	/nfs/dbraw/zinc/35/86/52/613358652.db2.gz	UTSKKFYJDDDGEH-JTQLQIEISA-N	-1	0	251.286	0.878	20	30		CCEDRM
C=C(C)C[C@H](NC(=O)[C@H](OCC)[C@H]1CCOC1)C(=O)[O-]	ZINC000864188863	613359112	/nfs/dbraw/zinc/35/91/12/613359112.db2.gz	WSZLHNIKPOSFHG-SDDRHHMPSA-N	-1	0	285.340	0.964	20	30		CCEDRM
C=C(C)C[C@H](NC(C)=O)C(=O)[N-]OCCSC	ZINC000834826260	613359403	/nfs/dbraw/zinc/35/94/03/613359403.db2.gz	NNWSJTSYRKLANT-JTQLQIEISA-N	-1	0	260.359	0.868	20	30		CCEDRM
C=C(C)[C@H](CC(=O)N[C@@H](CCOC)C(=O)[O-])OCC	ZINC000909627976	613362257	/nfs/dbraw/zinc/36/22/57/613362257.db2.gz	WVQSSSIECXJWIK-QWRGUYRKSA-N	-1	0	273.329	0.964	20	30		CCEDRM
C=C(C)[C@H]1OCC[C@H]1C(=O)NCC(=O)[N-]OCC	ZINC000911899333	613362867	/nfs/dbraw/zinc/36/28/67/613362867.db2.gz	WUCCQNUJISNDMP-MWLCHTKSSA-N	-1	0	256.302	0.152	20	30		CCEDRM
C=C(CC)Cn1c(=O)c(-c2nnn[n-]2)cn(CC)c1=O	ZINC000823883233	613363319	/nfs/dbraw/zinc/36/33/19/613363319.db2.gz	LRYFYKCSUZDDSE-UHFFFAOYSA-N	-1	0	276.300	0.176	20	30		CCEDRM
C=C(Cl)C[C@H](NC(=O)NCCn1ccnc1)C(=O)[O-]	ZINC000908753644	613390649	/nfs/dbraw/zinc/39/06/49/613390649.db2.gz	KFJVRUUUMKCSSM-VIFPVBQESA-N	-1	0	286.719	0.778	20	30		CCEDRM
C=C(Cl)C[C@H](NC(=O)NOC[C@H]1CCOC1)C(=O)[O-]	ZINC000909250546	613390654	/nfs/dbraw/zinc/39/06/54/613390654.db2.gz	DBNQOAYJDHBAQU-IUCAKERBSA-N	-1	0	292.719	0.850	20	30		CCEDRM
C=C(Cl)C[C@H](NS(=O)(=O)N(C)C(C)C)C(=O)[O-]	ZINC000863420863	613390911	/nfs/dbraw/zinc/39/09/11/613390911.db2.gz	NOSDTWCKOGXNEA-QMMMGPOBSA-N	-1	0	284.765	0.757	20	30		CCEDRM
C=CC[C@@H](CO)CNC(=O)c1cc(C(=O)[O-])co1	ZINC000911650765	613402432	/nfs/dbraw/zinc/40/24/32/613402432.db2.gz	GJNIFZJAQSAFSB-MRVPVSSYSA-N	-1	0	253.254	0.892	20	30		CCEDRM
C=CC[C@@H](CO)CNC(=O)c1cncc(C(=O)[O-])c1	ZINC000833371883	613403085	/nfs/dbraw/zinc/40/30/85/613403085.db2.gz	ZGOMUQVKYYXZGI-SECBINFHSA-N	-1	0	264.281	0.694	20	30		CCEDRM
C=CC[C@@H](NC(=O)[C@H](OC)C(=O)[O-])c1ccncc1	ZINC000901894158	613405793	/nfs/dbraw/zinc/40/57/93/613405793.db2.gz	NGMJLPMPVIMIIH-MNOVXSKESA-N	-1	0	264.281	0.915	20	30		CCEDRM
C=CC[C@@H]1CCN(C(=O)C(=O)N2CC[C@@](C)(C(=O)[O-])C2)C1	ZINC000863745637	613408218	/nfs/dbraw/zinc/40/82/18/613408218.db2.gz	AZXYGWIMWGZPFT-IAQYHMDHSA-N	-1	0	294.351	0.734	20	30		CCEDRM
C=CC[C@H]1CCN1C(=O)CCn1cc(C#N)c(=O)[n-]c1=O	ZINC000890548722	613422363	/nfs/dbraw/zinc/42/23/63/613422363.db2.gz	XWEZCRZCMQDION-NSHDSACASA-N	-1	0	288.307	0.388	20	30		CCEDRM
C=CCn1cc(C(=O)N[C@@](C)(CC)CC(=O)[O-])nn1	ZINC000844154555	613430564	/nfs/dbraw/zinc/43/05/64/613430564.db2.gz	CAIFNCZUJYCEDI-LBPRGKRZSA-N	-1	0	266.301	0.837	20	30		CCEDRM
C=C[C@@H](C)NC(=O)C1(OC)CCN(C(=O)[O-])CC1	ZINC000823485666	613442219	/nfs/dbraw/zinc/44/22/19/613442219.db2.gz	HYFZRELIMCBFGO-SECBINFHSA-N	-1	0	256.302	0.836	20	30		CCEDRM
C=C[C@@H](C)O[N-]C(=O)CNC(=O)c1ccc2c(c1)OCO2	ZINC000846541046	613443627	/nfs/dbraw/zinc/44/36/27/613443627.db2.gz	CODDCACLVYMOLQ-SECBINFHSA-N	-1	0	292.291	0.767	20	30		CCEDRM
C=CC(C)(C)CC(=O)[N-]S(=O)(=O)N(C)CCOC	ZINC000892843231	613446074	/nfs/dbraw/zinc/44/60/74/613446074.db2.gz	YDZZTKDNRDUSOG-UHFFFAOYSA-N	-1	0	278.374	0.528	20	30		CCEDRM
C=CC(C)(C)NC(=O)CCCn1c(=O)[n-][nH]c1=O	ZINC000891267312	613448543	/nfs/dbraw/zinc/44/85/43/613448543.db2.gz	VQUNOIIMNBAOHJ-UHFFFAOYSA-N	-1	0	254.290	0.550	20	30		CCEDRM
C=CC1(S(=O)(=O)[N-]C(=O)C2(CC)COC2)CC1	ZINC000870833404	613450339	/nfs/dbraw/zinc/45/03/39/613450339.db2.gz	DNFZCZIFYDHNBO-UHFFFAOYSA-N	-1	0	259.327	0.578	20	30		CCEDRM
C=CC1(S(=O)(=O)[N-]C(=O)CC[C@@H](C)OC)CC1	ZINC000870835774	613450442	/nfs/dbraw/zinc/45/04/42/613450442.db2.gz	QTXSLEDYBABDPU-SECBINFHSA-N	-1	0	261.343	0.966	20	30		CCEDRM
C=CC1(S(=O)(=O)[N-]C(=O)CCOCC2CC2)CC1	ZINC000870834165	613450465	/nfs/dbraw/zinc/45/04/65/613450465.db2.gz	QCGXBYCGKMIJHH-UHFFFAOYSA-N	-1	0	273.354	0.968	20	30		CCEDRM
C=CC1(S(=O)(=O)[N-]C(=O)Cn2cc(Cl)cn2)CC1	ZINC000870838425	613450752	/nfs/dbraw/zinc/45/07/52/613450752.db2.gz	YDQNEZFKIJJLBQ-UHFFFAOYSA-N	-1	0	289.744	0.701	20	30		CCEDRM
C=CC1(S(=O)(=O)[N-]C(=O)[C@@H](C)Cn2ccc(C)n2)CC1	ZINC000870840458	613450800	/nfs/dbraw/zinc/45/08/00/613450800.db2.gz	SAPHQJTZWSVNNZ-JTQLQIEISA-N	-1	0	297.380	0.992	20	30		CCEDRM
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C=C[C@@H](O)C(=O)NC[C@H](C(=O)[O-])c1ccc(C)cc1	ZINC000909251487	613451835	/nfs/dbraw/zinc/45/18/35/613451835.db2.gz	YEUBAGJBFWHFKR-NWDGAFQWSA-N	-1	0	263.293	0.826	20	30		CCEDRM
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C=CC1CCN(C(=O)[C@H]2C[C@H](O)CN2C(=O)[O-])CC1	ZINC000823491542	613452593	/nfs/dbraw/zinc/45/25/93/613452593.db2.gz	WTHAAUDCBBYROE-WDEREUQCSA-N	-1	0	268.313	0.524	20	30		CCEDRM
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C=CCC(F)(F)C(=O)[N-]S(=O)(=O)c1c(C)onc1N	ZINC000816069211	613454905	/nfs/dbraw/zinc/45/49/05/613454905.db2.gz	BHUCYMLLIBOGMB-UHFFFAOYSA-N	-1	0	295.267	0.582	20	30		CCEDRM
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C=CCC1(C(=O)[N-]S(=O)(=O)CC#CC)CCOCC1	ZINC000820896553	613456574	/nfs/dbraw/zinc/45/65/74/613456574.db2.gz	UWKCEBVTIMOIBZ-UHFFFAOYSA-N	-1	0	285.365	0.829	20	30		CCEDRM
C=CCC1(C(=O)[O-])CN(S(=O)(=O)N2CC[C@@H](C)C2)C1	ZINC000906007008	613457124	/nfs/dbraw/zinc/45/71/24/613457124.db2.gz	PILIUXLEFXNGHY-SNVBAGLBSA-N	-1	0	288.369	0.536	20	30		CCEDRM
C=CCC1(NC(=O)COCC(=O)[O-])CCOCC1	ZINC000852958321	613457282	/nfs/dbraw/zinc/45/72/82/613457282.db2.gz	JEXDCAHPMQQCCU-UHFFFAOYSA-N	-1	0	257.286	0.329	20	30		CCEDRM
C=CCC1(S(=O)(=O)[N-]C(=O)c2cocn2)CC1	ZINC000810988112	613461214	/nfs/dbraw/zinc/46/12/14/613461214.db2.gz	JBOGUMJBKMLSJH-UHFFFAOYSA-N	-1	0	256.283	0.843	20	30		CCEDRM
C=CCCC(=O)[N-]S(=O)(=O)c1ncn(C)c1Cl	ZINC000113657155	613462993	/nfs/dbraw/zinc/46/29/93/613462993.db2.gz	YZXIHVYETYDCJD-UHFFFAOYSA-N	-1	0	277.733	0.845	20	30		CCEDRM
C=CCCCC(=O)NCC(=O)N1CCN(C(=O)[O-])CC1	ZINC000823496894	613464709	/nfs/dbraw/zinc/46/47/09/613464709.db2.gz	SBAWLDXHKWJHSV-UHFFFAOYSA-N	-1	0	283.328	0.281	20	30		CCEDRM
C=C[C@@H]1OCC[C@H]1C(=O)[N-]S(=O)(=O)C[C@@H](C)OC	ZINC000835355321	613465781	/nfs/dbraw/zinc/46/57/81/613465781.db2.gz	GMICAEWVUCFACX-BBBLOLIVSA-N	-1	0	277.342	0.058	20	30		CCEDRM
C=CCCCN1C(=O)N[C@@]2(CCN(C(=O)[O-])C2)C1=O	ZINC000823496811	613467376	/nfs/dbraw/zinc/46/73/76/613467376.db2.gz	PMKCFCKBWYZNCB-GFCCVEGCSA-N	-1	0	267.285	0.627	20	30		CCEDRM
C=C[C@@H]1OCC[C@H]1CNC(=O)[C@@H]1CO[C@@H](CCC(=O)[O-])C1	ZINC000901682380	613469819	/nfs/dbraw/zinc/46/98/19/613469819.db2.gz	SCENJMZDQOVXRF-CYDGBPFRSA-N	-1	0	297.351	0.964	20	30		CCEDRM
C=C[C@@H]1OCC[C@H]1CNC(=O)N[C@H](CC(F)F)C(=O)[O-]	ZINC000909240275	613469849	/nfs/dbraw/zinc/46/98/49/613469849.db2.gz	ZZGRIYQLGINROR-YIZRAAEISA-N	-1	0	292.282	0.985	20	30		CCEDRM
C=C[C@@H]1OCC[C@H]1CNC(=O)N[C@@H](CCOC)C(=O)[O-]	ZINC000909238642	613469871	/nfs/dbraw/zinc/46/98/71/613469871.db2.gz	RLLYTDHYVVCLIH-DCAQKATOSA-N	-1	0	286.328	0.366	20	30		CCEDRM
C=C[C@@H]1OCC[C@H]1CNC(=O)[C@]1(C(=O)[O-])C[C@H]1C	ZINC000901682006	613470038	/nfs/dbraw/zinc/47/00/38/613470038.db2.gz	QFYUVMVHEFYOHE-QYTUQVAYSA-N	-1	0	253.298	0.805	20	30		CCEDRM
C=CCCC[C@@H](NC(=O)N[C@@H]1CCOC1)C(=O)[O-]	ZINC000905527955	613470675	/nfs/dbraw/zinc/47/06/75/613470675.db2.gz	AWWUDDVNKAJIQV-NXEZZACHSA-N	-1	0	256.302	0.884	20	30		CCEDRM
C=CCCC[C@@H](NC(=O)CCCn1cncn1)C(=O)[O-]	ZINC000910914122	613470700	/nfs/dbraw/zinc/47/07/00/613470700.db2.gz	IDJANCDRGOOXSS-LLVKDONJSA-N	-1	0	280.328	0.984	20	30		CCEDRM
C=CCCC[C@H](NC(=O)c1ccn(C)n1)C(=O)[O-]	ZINC000910916505	613474478	/nfs/dbraw/zinc/47/44/78/613474478.db2.gz	WWRMLALDGADKKX-JTQLQIEISA-N	-1	0	251.286	0.959	20	30		CCEDRM
C=C[C@@](C)(O)C(=O)NCC1(CC(=O)[O-])CCOCC1	ZINC000910120116	613477684	/nfs/dbraw/zinc/47/76/84/613477684.db2.gz	LTSZPZPAXOEXMO-GFCCVEGCSA-N	-1	0	271.313	0.311	20	30		CCEDRM
C=C[C@@](C)(O)C(=O)N[C@H](Cc1ccncc1)C(=O)[O-]	ZINC000911573515	613479008	/nfs/dbraw/zinc/47/90/08/613479008.db2.gz	KQFJQEPJOCHXLA-ZWNOBZJWSA-N	-1	0	264.281	0.131	20	30		CCEDRM
C=C[C@H](C)O[N-]C(=O)C(=O)Nc1ccnn1CC	ZINC000846155833	613483701	/nfs/dbraw/zinc/48/37/01/613483701.db2.gz	YULMMTIENYCHJU-QMMMGPOBSA-N	-1	0	252.274	0.464	20	30		CCEDRM
C=C[C@H](O)C(=O)N1CC2(CCC2)[C@@](F)(C(=O)[O-])C1	ZINC000909940652	613494064	/nfs/dbraw/zinc/49/40/64/613494064.db2.gz	LWONBYNIZYEFBY-UFBFGSQYSA-N	-1	0	257.261	0.339	20	30		CCEDRM
C=C[C@H](O)C(=O)N1CCN(c2ccc(C(=O)[O-])s2)CC1	ZINC000911767078	613494368	/nfs/dbraw/zinc/49/43/68/613494368.db2.gz	VKSXLHHXURTNCO-VIFPVBQESA-N	-1	0	296.348	0.642	20	30		CCEDRM
C=C[C@H](O)C(=O)N1CC[C@H](C(=O)[O-])[C@@H]2CCC[C@H]21	ZINC000910246157	613494937	/nfs/dbraw/zinc/49/49/37/613494937.db2.gz	NPAWJQUFTQWMSL-MMWGEVLESA-N	-1	0	253.298	0.635	20	30		CCEDRM
C=C[C@H](O)C(=O)NCCc1ccc(OCC(=O)[O-])cc1	ZINC000909302272	613495374	/nfs/dbraw/zinc/49/53/74/613495374.db2.gz	LMXSSVOYARKLKL-LBPRGKRZSA-N	-1	0	279.292	0.356	20	30		CCEDRM
C=C[C@H](O)C(=O)NCc1nc(C)c(C(=O)[O-])s1	ZINC000909502608	613496375	/nfs/dbraw/zinc/49/63/75/613496375.db2.gz	SVIZBFQOZVBFQR-LURJTMIESA-N	-1	0	256.283	0.313	20	30		CCEDRM
C=C[C@H](O)C(=O)N[C@H](C)[C@@H](Cc1ccccc1)C(=O)[O-]	ZINC000909817333	613497280	/nfs/dbraw/zinc/49/72/80/613497280.db2.gz	DERUBUBYYAMKSY-RTXFEEFZSA-N	-1	0	277.320	0.982	20	30		CCEDRM
CC#CCCNC(=O)N[C@@H](C(=O)[O-])[C@@H]1CCCOC1	ZINC000909031437	613522162	/nfs/dbraw/zinc/52/21/62/613522162.db2.gz	IUFGWTSWQHAHQY-GHMZBOCLSA-N	-1	0	268.313	0.579	20	30		CCEDRM
CC#CCCNC(=O)N[C@@H](C[C@H]1CCCO1)C(=O)[O-]	ZINC000909031506	613522370	/nfs/dbraw/zinc/52/23/70/613522370.db2.gz	KXNKUSPCNNIQON-MNOVXSKESA-N	-1	0	268.313	0.721	20	30		CCEDRM
C=CCCOCC(=O)[N-]S(=O)(=O)c1cccn1C	ZINC000839063532	613572778	/nfs/dbraw/zinc/57/27/78/613572778.db2.gz	OSLNYHTYTWFSGJ-UHFFFAOYSA-N	-1	0	272.326	0.423	20	30		CCEDRM
C=CCCOCCNC(=O)Nc1ccn(CC(=O)[O-])n1	ZINC000833375049	613575564	/nfs/dbraw/zinc/57/55/64/613575564.db2.gz	UKLDLXDKXCYGQV-UHFFFAOYSA-N	-1	0	282.300	0.682	20	30		CCEDRM
C=CCCO[N-]C(=O)CN(C)CC(=O)NC(C)C	ZINC000856029269	613575951	/nfs/dbraw/zinc/57/59/51/613575951.db2.gz	GPEAOIIAHOICKW-UHFFFAOYSA-N	-1	0	257.334	0.067	20	30		CCEDRM
C=CCCO[C@@H](C)C(=O)NC[C@@H]1CCO[C@@H]1C(=O)[O-]	ZINC000864213410	613578230	/nfs/dbraw/zinc/57/82/30/613578230.db2.gz	LZQYKGOEEWYDNK-DCAQKATOSA-N	-1	0	271.313	0.574	20	30		CCEDRM
C=CCC[C@@H](NC(=O)/C=C(/C)CN1CCOCC1)C(=O)[O-]	ZINC000909713788	613584468	/nfs/dbraw/zinc/58/44/68/613584468.db2.gz	SAJWWDZZIAZWEF-KXXVWKPMSA-N	-1	0	296.367	0.801	20	30		CCEDRM
C=CCC[C@@H](NC(=O)C1(CO)CCOCC1)C(=O)[O-]	ZINC000909712122	613584487	/nfs/dbraw/zinc/58/44/87/613584487.db2.gz	HWWJSFSBAMPPGT-SNVBAGLBSA-N	-1	0	271.313	0.311	20	30		CCEDRM
C=CCC[C@@H](NC(=O)c1cnn(CCOC)c1C)C(=O)[O-]	ZINC000909717295	613585593	/nfs/dbraw/zinc/58/55/93/613585593.db2.gz	YAGNGLSSDBRBSU-GFCCVEGCSA-N	-1	0	295.339	0.987	20	30		CCEDRM
C=CCC[C@H](NC(=O)c1cnc(C)n1C)C(=O)[O-]	ZINC000909714956	613590407	/nfs/dbraw/zinc/59/04/07/613590407.db2.gz	JHBINLHKPKGLBB-VIFPVBQESA-N	-1	0	251.286	0.878	20	30		CCEDRM
C=CCCn1cc(C(=O)N2CC[C@H]3[C@@H](C(=O)[O-])[C@H]3C2)nn1	ZINC000910850225	613593400	/nfs/dbraw/zinc/59/34/00/613593400.db2.gz	IFQPLMGESRNPDK-JFGNBEQYSA-N	-1	0	290.323	0.647	20	30		CCEDRM
C=CCCn1cc(C([O-])=C(C#N)C(=O)NCC=C)nn1	ZINC000819943985	613598175	/nfs/dbraw/zinc/59/81/75/613598175.db2.gz	KMBKZWHUXJQEFY-SNVBAGLBSA-N	-1	0	273.296	0.479	20	30		CCEDRM
C=CCN(C(=O)Cn1cc(C#N)c(=O)[n-]c1=O)C(C)C	ZINC000874351058	613605436	/nfs/dbraw/zinc/60/54/36/613605436.db2.gz	BKQCMKAQYGOGJQ-UHFFFAOYSA-N	-1	0	276.296	0.244	20	30		CCEDRM
C=CCN(CC(=O)[O-])C(=O)[C@@H]1CSCCS1	ZINC000909514712	613643163	/nfs/dbraw/zinc/64/31/63/613643163.db2.gz	KTFBWTBZAIKXQP-QMMMGPOBSA-N	-1	0	261.368	0.934	20	30		CCEDRM
C=CCN(CC(=O)[O-])C(=O)c1cc2c(cn1)OCCO2	ZINC000819926494	613643695	/nfs/dbraw/zinc/64/36/95/613643695.db2.gz	DPYFHKHTGXIGCA-UHFFFAOYSA-N	-1	0	278.264	0.566	20	30		CCEDRM
CC#CCS(=O)(=O)[N-]C(=O)[C@@H]1C[C@H](C)O[C@@H]1C	ZINC000870329379	613646613	/nfs/dbraw/zinc/64/66/13/613646613.db2.gz	DROBGOFGNIALAU-IVZWLZJFSA-N	-1	0	259.327	0.269	20	30		CCEDRM
CC#CCS(=O)(=O)[N-]C(=O)[C@@H]1CC[C@H](OC)C1	ZINC000851000191	613646651	/nfs/dbraw/zinc/64/66/51/613646651.db2.gz	QYJNHCXNOCYTND-ZJUUUORDSA-N	-1	0	259.327	0.271	20	30		CCEDRM
CC#CCS(=O)(=O)[N-]C(=O)c1ccc(OC)c(F)c1	ZINC000810774288	613647431	/nfs/dbraw/zinc/64/74/31/613647431.db2.gz	WNOGCUDQUSWMTO-UHFFFAOYSA-N	-1	0	285.296	0.917	20	30		CCEDRM
CC#CCS(=O)(=O)[N-]C(=O)c1cc(OC)ccc1OC	ZINC000788071607	613647478	/nfs/dbraw/zinc/64/74/78/613647478.db2.gz	QDELJBDKLRNZPJ-UHFFFAOYSA-N	-1	0	297.332	0.787	20	30		CCEDRM
CC#CCS(=O)(=O)[N-]C(=O)c1ccc([S@@](C)=O)cc1	ZINC000810775167	613647820	/nfs/dbraw/zinc/64/78/20/613647820.db2.gz	VXAHHVQDWAVIFJ-GOSISDBHSA-N	-1	0	299.373	0.507	20	30		CCEDRM
Cc1nc(C#N)c(N=NC(C)c2cn(CC(=O)[O-])nn2)o1	ZINC000825809291	613657648	/nfs/dbraw/zinc/65/76/48/613657648.db2.gz	RSPDEPDMKGKNCR-UHFFFAOYSA-N	-1	0	289.255	0.367	20	30		CCEDRM
C=CCNC(=O)CNC(=O)[C@H](CC(C)C)NC(=O)[O-]	ZINC000833376755	613846791	/nfs/dbraw/zinc/84/67/91/613846791.db2.gz	AQTACPIKIODNFW-VIFPVBQESA-N	-1	0	271.317	0.087	20	30		CCEDRM
C=CCNC(=O)COC(=O)[C@@H]1CCC[C@H](C(=O)[O-])C1	ZINC000825687479	613847997	/nfs/dbraw/zinc/84/79/97/613847997.db2.gz	LOTKCRRNKXUNIU-VHSXEESVSA-N	-1	0	269.297	0.723	20	30		CCEDRM
C=CCNC(=O)COC(=O)[C@@H]1CCC[C@@H](NC(=O)[O-])C1	ZINC000823507123	613848123	/nfs/dbraw/zinc/84/81/23/613848123.db2.gz	SQCALTIZWYNQEW-NXEZZACHSA-N	-1	0	284.312	0.658	20	30		CCEDRM
C=CCNC(=O)C(C#N)=C([O-])c1ccc2c(c1)OCC(=O)N2	ZINC000916918515	613852942	/nfs/dbraw/zinc/85/29/42/613852942.db2.gz	TXLHSKNRAGFHFI-JTQLQIEISA-N	-1	0	299.286	0.642	20	30		CCEDRM
C=CCNC(=O)C(C#N)=C([O-])c1cnn(CCOCC)c1	ZINC000857010874	613855040	/nfs/dbraw/zinc/85/50/40/613855040.db2.gz	ZHTMHCJLCSAAEZ-GFCCVEGCSA-N	-1	0	290.323	0.544	20	30		CCEDRM
C=CCNC(=O)[C@H](C)OC(=O)C(C)(C)NC(=O)[O-]	ZINC000825687815	613855508	/nfs/dbraw/zinc/85/55/08/613855508.db2.gz	YGSNRFDMPYYLMC-ZETCQYMHSA-N	-1	0	258.274	0.267	20	30		CCEDRM
C=CCOCC(=O)[N-]S(=O)(=O)C1Cc2ccccc2C1	ZINC000893682979	613879425	/nfs/dbraw/zinc/87/94/25/613879425.db2.gz	HULOXUNNSLRPRU-UHFFFAOYSA-N	-1	0	295.360	0.802	20	30		CCEDRM
C=CCOCC(=O)[N-]S(=O)(=O)c1nc(C)c(C)s1	ZINC000835584324	613879457	/nfs/dbraw/zinc/87/94/57/613879457.db2.gz	CCJFXTIZYPXOEZ-UHFFFAOYSA-N	-1	0	290.366	0.767	20	30		CCEDRM
C=CCOCC(=O)N[C@H](C(=O)[O-])[C@@H]1CCCOC1	ZINC000909547426	613879459	/nfs/dbraw/zinc/87/94/59/613879459.db2.gz	XMQZFYCLQIGWCF-KOLCDFICSA-N	-1	0	257.286	0.185	20	30		CCEDRM
C=CCOCC(=O)N[C@H]1CCN(c2cc(=O)[nH]cn2)C1	ZINC000890533025	613879509	/nfs/dbraw/zinc/87/95/09/613879509.db2.gz	NHFKNXIPAFACMT-JTQLQIEISA-N	-1	0	278.312	0.080	20	30		CCEDRM
C=CCOCCCC(=O)N1CC[C@](COC)(C(=O)[O-])C1	ZINC000902310397	613879716	/nfs/dbraw/zinc/87/97/16/613879716.db2.gz	CWPJKPWBDNQUNJ-AWEZNQCLSA-N	-1	0	285.340	0.919	20	30		CCEDRM
C=CCOCCNC(=O)C(=O)Nc1cc(C(=O)[O-])cs1	ZINC000833376138	613880494	/nfs/dbraw/zinc/88/04/94/613880494.db2.gz	UXCKPDMSKPHMSH-UHFFFAOYSA-N	-1	0	298.320	0.704	20	30		CCEDRM
C=CCOC[C@@H](NC(=O)NC[C@@H]1CCO[C@H]1C=C)C(=O)[O-]	ZINC000909237637	613881640	/nfs/dbraw/zinc/88/16/40/613881640.db2.gz	HUMJAVSIZWUXHQ-TUAOUCFPSA-N	-1	0	298.339	0.533	20	30		CCEDRM
C=CCOC[C@@H](NC(=O)[C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@H]12)C(=O)[O-]	ZINC000907669001	613881766	/nfs/dbraw/zinc/88/17/66/613881766.db2.gz	GUULRMCCDGRYLO-MCNAKINOSA-N	-1	0	281.308	0.182	20	30		CCEDRM
C=CCOC[C@H](NC(=O)NCC1CCOCC1)C(=O)[O-]	ZINC000908686053	613882399	/nfs/dbraw/zinc/88/23/99/613882399.db2.gz	JWMDAXJMGFXFAA-NSHDSACASA-N	-1	0	286.328	0.368	20	30		CCEDRM
C=CCOC[C@H](NC(=O)c1cnn(C)c1C)C(=O)[O-]	ZINC000909770796	613882752	/nfs/dbraw/zinc/88/27/52/613882752.db2.gz	LDWUASRSLDLEIJ-JTQLQIEISA-N	-1	0	267.285	0.114	20	30		CCEDRM
C=CCO[N-]C(=O)C(=O)Nc1cnn(C(C)C)c1	ZINC000847529817	613883054	/nfs/dbraw/zinc/88/30/54/613883054.db2.gz	UQZUSIQQTBQFRV-UHFFFAOYSA-N	-1	0	252.274	0.636	20	30		CCEDRM
C=CCO[N-]C(=O)CN1C(=O)N[C@@]2(CCCC[C@@H]2C)C1=O	ZINC000837043498	613883093	/nfs/dbraw/zinc/88/30/93/613883093.db2.gz	AWFIWVTTWQNUKB-IINYFYTJSA-N	-1	0	295.339	0.721	20	30		CCEDRM
C=CCO[N-]C(=O)CN(C)c1ncnc2nc[nH]c21	ZINC000837045046	613883114	/nfs/dbraw/zinc/88/31/14/613883114.db2.gz	VZHHDCJLTCZDFT-UHFFFAOYSA-N	-1	0	262.273	0.023	20	30		CCEDRM
C=CCO[N-]C(=O)[C@H]1CN(C(=O)OC(C)(C)C)CCO1	ZINC000837048373	613884589	/nfs/dbraw/zinc/88/45/89/613884589.db2.gz	SGPIJPWBOXJCDS-SNVBAGLBSA-N	-1	0	286.328	0.856	20	30		CCEDRM
C=CCS(=O)(=O)[N-]C(=O)[C@@H]1CCCc2nn(C)cc21	ZINC000798845152	613886183	/nfs/dbraw/zinc/88/61/83/613886183.db2.gz	HLHNGVKIXCNIBF-SECBINFHSA-N	-1	0	283.353	0.472	20	30		CCEDRM
C=CCS(=O)(=O)[N-]C(=O)c1cc(C(=O)OC)oc1C	ZINC000850912817	613886291	/nfs/dbraw/zinc/88/62/91/613886291.db2.gz	HOJKEAJYLXTZEM-UHFFFAOYSA-N	-1	0	287.293	0.620	20	30		CCEDRM
C=CCS(=O)(=O)[N-]C(=O)c1ccn(C2CCOCC2)n1	ZINC000860630819	613886302	/nfs/dbraw/zinc/88/63/02/613886302.db2.gz	FJQCMFIJNVHMBL-UHFFFAOYSA-N	-1	0	299.352	0.480	20	30		CCEDRM
C=CCS(=O)(=O)[N-]C(=O)c1cc(CC)c[nH]c1=O	ZINC000850912643	613886314	/nfs/dbraw/zinc/88/63/14/613886314.db2.gz	FAINWZKVPVPSFS-UHFFFAOYSA-N	-1	0	270.310	0.595	20	30		CCEDRM
C=CCS(=O)(=O)[N-]C(=O)c1c(Cl)nn(C)c1Cl	ZINC000860630875	613886331	/nfs/dbraw/zinc/88/63/31/613886331.db2.gz	GYUAHXPBUPEFNS-UHFFFAOYSA-N	-1	0	298.151	0.973	20	30		CCEDRM
CC(C)(C)OC(=O)CCNC(=O)[C@@](C)(C#N)CC(=O)[O-]	ZINC000819915286	613965379	/nfs/dbraw/zinc/96/53/79/613965379.db2.gz	XSXZBXQGMHBAKG-CYBMUJFWSA-N	-1	0	284.312	0.839	20	30		CCEDRM
CC(C)(C)[C@H](C#N)NC(=O)CN1CCC(NC(=O)[O-])CC1	ZINC000823760186	614032270	/nfs/dbraw/zinc/03/22/70/614032270.db2.gz	PXDNQRZJSRTYBD-NSHDSACASA-N	-1	0	296.371	0.773	20	30		CCEDRM
CC(C)(C)n1cnc(C(=O)[N-]S(=O)(=O)CCCC#N)n1	ZINC000813082017	614064631	/nfs/dbraw/zinc/06/46/31/614064631.db2.gz	RUHRMQTZMFTZOE-UHFFFAOYSA-N	-1	0	299.356	0.396	20	30		CCEDRM
CC(C)(C)n1cnc(C([O-])=C(C#N)C(=O)N2CCCC2)n1	ZINC000813058222	614064945	/nfs/dbraw/zinc/06/49/45/614064945.db2.gz	GATXCAYOPOFNKK-JTQLQIEISA-N	-1	0	289.339	0.978	20	30		CCEDRM
CC(C)(CNC(=O)[O-])C(=O)N1CCN(C2CC2)[C@@H](C#N)C1	ZINC000823952251	614102534	/nfs/dbraw/zinc/10/25/34/614102534.db2.gz	NBOWYOKAWWMDSK-NSHDSACASA-N	-1	0	294.355	0.479	20	30		CCEDRM
CC(C)C[C@@H](C#N)NC(=O)[C@@H]1CN(C(=O)[O-])CCO1	ZINC000824170151	614180029	/nfs/dbraw/zinc/18/00/29/614180029.db2.gz	GIMFNGYAIQEZBE-UWVGGRQHSA-N	-1	0	269.301	0.420	20	30		CCEDRM
CC(C)(O)CO[N-]C(=O)[C@H](O)c1ccc(C#N)cc1	ZINC000834622004	614197817	/nfs/dbraw/zinc/19/78/17/614197817.db2.gz	PCCMJBTVLDAWLQ-LLVKDONJSA-N	-1	0	264.281	0.410	20	30		CCEDRM
CC(C)(C#N)CC(=O)[N-]S(=O)(=O)CC(F)F	ZINC000851362859	614285157	/nfs/dbraw/zinc/28/51/57/614285157.db2.gz	SATNPUNCVBTNQG-UHFFFAOYSA-N	-1	0	254.258	0.637	20	30		CCEDRM
CC(CC1(C(=O)[O-])CCC1)=Nn1ccc(=O)[nH]c1=O	ZINC000863182607	614378632	/nfs/dbraw/zinc/37/86/32/614378632.db2.gz	RTMYNGONCGSWBH-UHFFFAOYSA-N	-1	0	265.269	0.818	20	30		CCEDRM
CC1(C)CN(C(=O)[O-])CCN1CC(=O)NCCC#N	ZINC000825729350	614593069	/nfs/dbraw/zinc/59/30/69/614593069.db2.gz	UINVDIUYTVXPJW-UHFFFAOYSA-N	-1	0	268.317	0.090	20	30		CCEDRM
CCC1(C(=O)N2CCN(C(=O)[O-])C[C@@H]2C#N)COC1	ZINC000826640835	614629403	/nfs/dbraw/zinc/62/94/03/614629403.db2.gz	YAQGMRMBSQFMNG-VIFPVBQESA-N	-1	0	267.285	0.127	20	30		CCEDRM
C[C@](C#N)(CC(=O)[O-])C(=O)NC[C@H]1COC(C)(C)O1	ZINC000820212041	614837829	/nfs/dbraw/zinc/83/78/29/614837829.db2.gz	WIKIXOADFCNCQS-QPUJVOFHSA-N	-1	0	270.285	0.259	20	30		CCEDRM
CCC[C@@H](C#N)NC(=O)C[C@@H]1CN(C(=O)[O-])CCO1	ZINC000826706120	614970934	/nfs/dbraw/zinc/97/09/34/614970934.db2.gz	MIUNQSJFLVFBSS-VHSXEESVSA-N	-1	0	269.301	0.564	20	30		CCEDRM
Cc1[n-][nH]c(=O)c1Sc1nc(C)nc(C)c1C#N	ZINC000916563486	614973297	/nfs/dbraw/zinc/97/32/97/614973297.db2.gz	YBPLLPYYTHPQKI-SECBINFHSA-N	-1	0	261.310	0.932	20	30		CCEDRM
CC1CC(C#N)(C(=O)N2C[C@H]3COCC[C@@]3(C(=O)[O-])C2)C1	ZINC000923073388	615010844	/nfs/dbraw/zinc/01/08/44/615010844.db2.gz	QTMJPTQRSZIMOI-VKVSLNLYSA-N	-1	0	292.335	0.876	20	30		CCEDRM
CCN(CCC#N)C(=O)CN(C[C@@H]1CCCO1)C(=O)[O-]	ZINC000827110987	615021311	/nfs/dbraw/zinc/02/13/11/615021311.db2.gz	JIGHHHGKJXGABL-NSHDSACASA-N	-1	0	283.328	0.908	20	30		CCEDRM
CCN(C[C@@H](C)C#N)C(=O)C[NH2+][C@@](C)(C(=O)[O-])C1CC1	ZINC000829642353	615061781	/nfs/dbraw/zinc/06/17/81/615061781.db2.gz	KCOWTHRFDMEGCQ-IINYFYTJSA-N	-1	0	281.356	0.837	20	30		CCEDRM
CCOC[C@@H](C(=O)[O-])N(C)C(=O)c1ccc(C#N)cn1	ZINC000829966753	615303983	/nfs/dbraw/zinc/30/39/83/615303983.db2.gz	NSCRNLJEFNLLLX-NSHDSACASA-N	-1	0	277.280	0.515	20	30		CCEDRM
CCO[C@@H](C(=O)[N-]S(=O)(=O)CCC#N)C(C)C	ZINC000860752000	615393157	/nfs/dbraw/zinc/39/31/57/615393157.db2.gz	JGWMJMZPKLDKDV-SECBINFHSA-N	-1	0	262.331	0.407	20	30		CCEDRM
CC[C@@H](C)CO[N-]C(=O)C(=O)Nc1cnn(CC#N)c1	ZINC000815712264	615449875	/nfs/dbraw/zinc/44/98/75/615449875.db2.gz	MBVBAUPJDCBPCI-SECBINFHSA-N	-1	0	279.300	0.439	20	30		CCEDRM
CC[C@@H](NC(=O)C#Cc1ccc2c(c1)OCO2)C(=O)[O-]	ZINC000818261365	615524037	/nfs/dbraw/zinc/52/40/37/615524037.db2.gz	IPMVQROWRDJOLK-SNVBAGLBSA-N	-1	0	275.260	0.746	20	30		CCEDRM
CC[C@@H]1CC[C@@H](C(=O)N2CCN(C(=O)[O-])C[C@H]2C#N)O1	ZINC000826662579	615555010	/nfs/dbraw/zinc/55/50/10/615555010.db2.gz	YUHOBOBUCRQASV-MXWKQRLJSA-N	-1	0	281.312	0.658	20	30		CCEDRM
CC[C@@]1(C)NC(=O)N([N-]C(=O)c2cccc(C#N)n2)C1=O	ZINC000809961425	615598360	/nfs/dbraw/zinc/59/83/60/615598360.db2.gz	SUCKNNUUQPSTDG-CYBMUJFWSA-N	-1	0	287.279	0.319	20	30		CCEDRM
CCn1nccc1C(=O)[N-]S(=O)(=O)CCCC#N	ZINC000127480666	615721816	/nfs/dbraw/zinc/72/18/16/615721816.db2.gz	STYVLEHNYNWPEV-UHFFFAOYSA-N	-1	0	270.314	0.266	20	30		CCEDRM
CC[C@H](NN=Cc1nc(Br)nn1C)C(=O)[O-]	ZINC000863114523	615819928	/nfs/dbraw/zinc/81/99/28/615819928.db2.gz	MAJSKAIRBXIUFZ-YFKPBYRVSA-N	-1	0	290.121	0.364	20	30		CCEDRM
CC[C@H](O)CCCNC(=O)[C@](C)(C#N)CC(=O)[O-]	ZINC000820285089	615825468	/nfs/dbraw/zinc/82/54/68/615825468.db2.gz	PKBHJVIXYGUBJE-CABZTGNLSA-N	-1	0	256.302	0.658	20	30		CCEDRM
CCn1cc(C(=O)[N-]S(=O)(=O)CCC#N)c(C)n1	ZINC000860751249	615950786	/nfs/dbraw/zinc/95/07/86/615950786.db2.gz	AEHFPKKSWSPHKI-UHFFFAOYSA-N	-1	0	270.314	0.185	20	30		CCEDRM
CN(C)c1ccc2c(c1)N(C)C(=O)C2=N[N-]c1nc[nH]n1	ZINC000807996292	616019970	/nfs/dbraw/zinc/01/99/70/616019970.db2.gz	YPUJVNFREYLBKQ-UHFFFAOYSA-N	-1	0	285.311	0.663	20	30		CCEDRM
CN(CCC#N)c1ccc(C=Nn2c(=O)[n-][nH]c2=O)cc1	ZINC000814231689	616068178	/nfs/dbraw/zinc/06/81/78/616068178.db2.gz	LMFMPZQZCIVWOS-UHFFFAOYSA-N	-1	0	286.295	0.921	20	30		CCEDRM
CN(CCCNC(=O)[C@H](O)c1ccc(C#N)cc1)C(=O)[O-]	ZINC000833873120	616075214	/nfs/dbraw/zinc/07/52/14/616075214.db2.gz	REHGTTAAJQPFFX-GFCCVEGCSA-N	-1	0	291.307	0.708	20	30		CCEDRM
CN(CCN(C)[C@@H](C(N)=O)c1ccc(C#N)cc1)C(=O)[O-]	ZINC000833874067	616084088	/nfs/dbraw/zinc/08/40/88/616084088.db2.gz	XKEIKTIKRAVQFO-GFCCVEGCSA-N	-1	0	290.323	0.626	20	30		CCEDRM
CN1C(=O)CC[C@@H]1C(=O)[N-]Oc1cccc(C#N)c1	ZINC000828149304	616128632	/nfs/dbraw/zinc/12/86/32/616128632.db2.gz	YTZZLHNRIBFDCF-LLVKDONJSA-N	-1	0	259.265	0.589	20	30		CCEDRM
CN(C[C@@H](O)C(F)(F)F)C(=O)[C@@](C)(C#N)CC(=O)[O-]	ZINC000820574302	616130570	/nfs/dbraw/zinc/13/05/70/616130570.db2.gz	OLONKYDEJLPJGN-HZGVNTEJSA-N	-1	0	282.218	0.373	20	30		CCEDRM
CN1C(=O)CN(NC(=O)c2sccc2CC#N)C1=O	ZINC000867139223	616137194	/nfs/dbraw/zinc/13/71/94/616137194.db2.gz	HYUPKYXNWKIZAP-UHFFFAOYSA-N	-1	0	278.293	0.353	20	30		CCEDRM
CN1CCC(=NN=c2[n-]c(-c3cccnc3)no2)C1=O	ZINC000814948291	616165466	/nfs/dbraw/zinc/16/54/66/616165466.db2.gz	HRXIGZGGJMLYJT-UHFFFAOYSA-N	-1	0	272.268	0.762	20	30		CCEDRM
CN(Cc1ccccc1)C(=O)C(C#N)=C([O-])c1ncn(C)n1	ZINC000810709572	616169823	/nfs/dbraw/zinc/16/98/23/616169823.db2.gz	DRFNWKRNEJMIME-LBPRGKRZSA-N	-1	0	297.318	0.796	20	30		CCEDRM
CN1CCO[C@@H](C(=O)[N-]Oc2cccc(C#N)c2)C1	ZINC000870693054	616252827	/nfs/dbraw/zinc/25/28/27/616252827.db2.gz	WMJMOKNBXLKVDW-GFCCVEGCSA-N	-1	0	261.281	0.299	20	30		CCEDRM
COC/C(C)=C\C(=O)[N-]S(=O)(=O)CCCC#N	ZINC000845504529	616383008	/nfs/dbraw/zinc/38/30/08/616383008.db2.gz	IFHSFHWUZZUJJT-CLFYSBASSA-N	-1	0	260.315	0.329	20	30		CCEDRM
COC(=O)C1=C(C)O[C@@H](CN(CC#N)CC(=O)[O-])C1	ZINC000833702530	616404120	/nfs/dbraw/zinc/40/41/20/616404120.db2.gz	ZJFHXXXLUNBNLV-SECBINFHSA-N	-1	0	268.269	0.132	20	30		CCEDRM
COCCNC(=O)C(C#N)=C([O-])c1cc(COC)cs1	ZINC000850757551	616491969	/nfs/dbraw/zinc/49/19/69/616491969.db2.gz	MBPMRWGDNHFVAX-JTQLQIEISA-N	-1	0	296.348	0.980	20	30		CCEDRM
COCCNC(=O)C(C#N)=C([O-])c1nc2c(s1)CCC2	ZINC000842289443	616492581	/nfs/dbraw/zinc/49/25/81/616492581.db2.gz	QXIVSAZKMRVNFF-QMMMGPOBSA-N	-1	0	293.348	0.717	20	30		CCEDRM
COCCNC(=O)C(C#N)=C([O-])c1nc(C)oc1C	ZINC000815906964	616493025	/nfs/dbraw/zinc/49/30/25/616493025.db2.gz	OETJWHITJFWANX-VIFPVBQESA-N	-1	0	265.269	0.377	20	30		CCEDRM
COCCNC(=O)C(C#N)=C([O-])c1ccsc1COC	ZINC000870138363	616496499	/nfs/dbraw/zinc/49/64/99/616496499.db2.gz	KLHKOEDWCLFFHF-SNVBAGLBSA-N	-1	0	296.348	0.980	20	30		CCEDRM
COC[C@@H](C)C=Nn1c(C)cc(C)c(-c2nnn[n-]2)c1=O	ZINC000821681791	616782378	/nfs/dbraw/zinc/78/23/78/616782378.db2.gz	SAXWCHVUQZKCEX-QMMMGPOBSA-N	-1	0	290.327	0.762	20	30		CCEDRM
COCC1(S(=O)(=O)[N-]C(=O)CCCC#N)CC1	ZINC000813100561	616799393	/nfs/dbraw/zinc/79/93/93/616799393.db2.gz	ULZYOCAPAVSIOT-UHFFFAOYSA-N	-1	0	260.315	0.305	20	30		CCEDRM
COC(=O)N1CCC[C@@H](NC(=O)[C@](C)(C#N)CC(=O)[O-])C1	ZINC000820672929	616831408	/nfs/dbraw/zinc/83/14/08/616831408.db2.gz	IFTODTMVRGFDKH-RNCFNFMXSA-N	-1	0	297.311	0.338	20	30		CCEDRM
COC[C@](C)(NC(=O)c1ccc(C#N)s1)C(=O)[O-]	ZINC000831617353	616831656	/nfs/dbraw/zinc/83/16/56/616831656.db2.gz	HTYDAPCIPYSVRI-NSHDSACASA-N	-1	0	268.294	0.839	20	30		CCEDRM
COC[C@@H](C)S(=O)(=O)[N-]C(=O)c1cc(C#N)oc1C	ZINC000797948622	616838744	/nfs/dbraw/zinc/83/87/44/616838744.db2.gz	BGZDVVVWPVDPKC-SSDOTTSWSA-N	-1	0	286.309	0.554	20	30		CCEDRM
CNC(=O)C(C#N)=C([O-])c1cc(C#N)cc(N(C)C)c1	ZINC000815911652	616838672	/nfs/dbraw/zinc/83/86/72/616838672.db2.gz	IOZQEMIVIIKDTA-GFCCVEGCSA-N	-1	0	270.292	0.693	20	30		CCEDRM
COC[C@@H](NC(=O)C1(C#N)CC2(CC2)C1)C(=O)[O-]	ZINC000923077168	616879781	/nfs/dbraw/zinc/87/97/81/616879781.db2.gz	KPXNMDMMPVMTIO-MRVPVSSYSA-N	-1	0	252.270	0.286	20	30		CCEDRM
COC(=O)c1ccc(O)c(C=NNC[C@H](C)O)c1	ZINC000814961505	616918347	/nfs/dbraw/zinc/91/83/47/616918347.db2.gz	LCNMNOLINIIAKK-QMMMGPOBSA-N	-1	0	252.270	0.483	20	30		CCEDRM
COC(=O)[C@@H](C)CN(C)C(=O)[C@](C)(C#N)CC(=O)[O-]	ZINC000820653407	616938265	/nfs/dbraw/zinc/93/82/65/616938265.db2.gz	HLQXEFOXYWCGAS-UFBFGSQYSA-N	-1	0	270.285	0.258	20	30		CCEDRM
CO[C@H](C(=O)[N-]S(=O)(=O)c1cncc(C#N)c1)C(C)C	ZINC000813979582	616982292	/nfs/dbraw/zinc/98/22/92/616982292.db2.gz	ULTUUDWOUTUGTO-NSHDSACASA-N	-1	0	297.336	0.429	20	30		CCEDRM
COCCN(CCC#N)C(=O)[C@@H]1CC[C@@H](NC(=O)[O-])C1	ZINC000828979587	616992051	/nfs/dbraw/zinc/99/20/51/616992051.db2.gz	INMVALMOGIEJDA-GHMZBOCLSA-N	-1	0	283.328	0.811	20	30		CCEDRM
COCCN(CCC#N)C(=O)[C@H](C)CN(C)C(=O)[O-]	ZINC000828979639	616992225	/nfs/dbraw/zinc/99/22/25/616992225.db2.gz	KPAVDQNOJFEERW-SNVBAGLBSA-N	-1	0	271.317	0.621	20	30		CCEDRM
CO[C@H](C(=O)[O-])C(=O)NCc1ccc(SC)c(C#N)c1	ZINC000902731773	616993218	/nfs/dbraw/zinc/99/32/18/616993218.db2.gz	PTDYUVOLMBEICN-NSHDSACASA-N	-1	0	294.332	0.996	20	30		CCEDRM
COC[C@@]1(C(=O)[O-])CCN(c2c(C#N)cnn2C)C1	ZINC000900964494	617037054	/nfs/dbraw/zinc/03/70/54/617037054.db2.gz	HOSCPFIEXRKUAB-GFCCVEGCSA-N	-1	0	264.285	0.219	20	30		CCEDRM
COC[C@H](C#N)OC(=O)[C@@H]1CCC[C@H](NC(=O)[O-])C1	ZINC000833883438	617047102	/nfs/dbraw/zinc/04/71/02/617047102.db2.gz	YWLQYCZRMJQCBA-UTLUCORTSA-N	-1	0	270.285	0.895	20	30		CCEDRM
CO[C@H](C)CS(=O)(=O)[N-]c1ccncc1C#N	ZINC000903149746	617075669	/nfs/dbraw/zinc/07/56/69/617075669.db2.gz	FBLHMQBKGRSTNK-MRVPVSSYSA-N	-1	0	255.299	0.152	20	30		CCEDRM
CON(C)CCNC(=O)c1cc(C#N)c(SC)[n-]c1=O	ZINC000880644432	617080738	/nfs/dbraw/zinc/08/07/38/617080738.db2.gz	VRCIVWTZDIYNEZ-UHFFFAOYSA-N	-1	0	296.352	0.604	20	30		CCEDRM
CO[C@H](CS(=O)(=O)[N-]c1ccncc1C#N)C(C)C	ZINC000903150079	617092130	/nfs/dbraw/zinc/09/21/30/617092130.db2.gz	KKDYIXVBNQNOSM-GFCCVEGCSA-N	-1	0	283.353	0.788	20	30		CCEDRM
CO[N-]C(=O)CNC(=O)c1c(C)cc(C#N)cc1C	ZINC000900701707	617116117	/nfs/dbraw/zinc/11/61/17/617116117.db2.gz	SMQZKBVXQMJXHG-UHFFFAOYSA-N	-1	0	261.281	0.583	20	30		CCEDRM
CO[N-]C(=O)CNC(=O)c1sccc1CC#N	ZINC000832740881	617116936	/nfs/dbraw/zinc/11/69/36/617116936.db2.gz	HVIJIFREPQRURZ-UHFFFAOYSA-N	-1	0	253.283	0.222	20	30		CCEDRM
CO[C@@H](C)CC(=O)[N-]S(=O)(=O)c1cncc(C#N)c1	ZINC000813984018	617147384	/nfs/dbraw/zinc/14/73/84/617147384.db2.gz	MCLIDKKKKCJPJH-QMMMGPOBSA-N	-1	0	283.309	0.183	20	30		CCEDRM
COc1c(O)c(C=NNCC(=O)[O-])ccc1[N+](=O)[O-]	ZINC000814960102	617148984	/nfs/dbraw/zinc/14/89/84/617148984.db2.gz	GRGDMCKIWKCWND-UHFFFAOYSA-N	-1	0	269.213	0.317	20	30		CCEDRM
Cc1ncc(S(=O)(=O)NC/C=C/C(=O)[O-])cc1C#N	ZINC000311961484	625297052	/nfs/dbraw/zinc/29/70/52/625297052.db2.gz	LHOSAIZVWXKURS-NSCUHMNNSA-N	-1	0	281.293	0.181	20	30		CCEDRM
CCS(=O)(=O)[N-]C(=O)CNC(=O)c1ccccc1	ZINC000080273041	623126107	/nfs/dbraw/zinc/12/61/07/623126107.db2.gz	SHOPCEJTSWKLTN-UHFFFAOYSA-N	-1	0	270.310	0.723	20	30		CCEDRM
N#CC(C(=O)NC1CC1)=C([O-])c1cccn2nccc12	ZINC000892496025	623372860	/nfs/dbraw/zinc/37/28/60/623372860.db2.gz	ITMJFOWHSMTXDY-LLVKDONJSA-N	-1	0	268.276	0.935	20	30		CCEDRM
C=CCN(CC(=O)[O-])C(=O)NCCOCC1CC1	ZINC000236422952	623502310	/nfs/dbraw/zinc/50/23/10/623502310.db2.gz	SIYDWPIKDLHHBQ-UHFFFAOYSA-N	-1	0	256.302	0.695	20	30		CCEDRM
C#CC[N@H+](C)CCCNC(=O)N1CCC[C@H]1C(=O)[O-]	ZINC000328318390	623877502	/nfs/dbraw/zinc/87/75/02/623877502.db2.gz	YNQMLKUHTSGFPB-NSHDSACASA-N	-1	0	267.329	0.200	20	30		CCEDRM
C#C[C@@H]1CCCCN1C(=O)c1c[n-]n2c1nccc2=O	ZINC000890656477	624547927	/nfs/dbraw/zinc/54/79/27/624547927.db2.gz	XAYVPLVQHMYNKG-SNVBAGLBSA-N	-1	0	270.292	0.651	20	30		CCEDRM
N#Cc1ccc2c(c1)C[C@@H](NC(=O)COCC(=O)[O-])C2	ZINC000902546494	634404296	/nfs/dbraw/zinc/40/42/96/634404296.db2.gz	VYXDUNNNSWEYBW-LBPRGKRZSA-N	-1	0	274.276	0.243	20	30		CCEDRM
C=CCN(CC(=O)[O-])Cc1nnnn1Cc1ccccc1	ZINC000092465318	624851125	/nfs/dbraw/zinc/85/11/25/624851125.db2.gz	JZQCCSTWFZCADL-UHFFFAOYSA-N	-1	0	287.323	0.794	20	30		CCEDRM
Cc1[nH]nc(C(=O)N2CCC[C@H](N(C)CC#N)C2)c1[O-]	ZINC001027371065	625857164	/nfs/dbraw/zinc/85/71/64/625857164.db2.gz	UXCDYBAVQIISDZ-JTQLQIEISA-N	-1	0	277.328	0.484	20	30		CCEDRM
Cc1nn(C)c([N-]S(=O)(=O)CCOCC2CC2)c1C#N	ZINC000903173169	634538087	/nfs/dbraw/zinc/53/80/87/634538087.db2.gz	KJNOFZGPVHKDIB-UHFFFAOYSA-N	-1	0	298.368	0.769	20	30		CCEDRM
Cc1cc(C(=O)N=c2nn[n-]n2C)cc(C)c1C#N	ZINC000904189715	634712018	/nfs/dbraw/zinc/71/20/18/634712018.db2.gz	XPOPNAXDRILRFV-UHFFFAOYSA-N	-1	0	256.269	0.373	20	30		CCEDRM
C[C@@H]1C[C@@H]1C(=O)[N-]S(=O)(=O)c1cc(C(N)=O)n(C)c1	ZINC000048518738	631729424	/nfs/dbraw/zinc/72/94/24/631729424.db2.gz	VXPQZKUCVAGFJI-SVRRBLITSA-N	-1	0	285.325	0.425	20	30		CCEDRM
CC#CCCCC(=O)[N-]S(=O)(=O)Cc1ccon1	ZINC000183728742	631935925	/nfs/dbraw/zinc/93/59/25/631935925.db2.gz	YDLLINSFLZPDBO-UHFFFAOYSA-N	-1	0	270.310	0.814	20	30		CCEDRM
N#C[C@@]1(C(=O)[N-]OCc2ccccn2)CCCOC1	ZINC000909520380	632072788	/nfs/dbraw/zinc/07/27/88/632072788.db2.gz	PKRGEZGKLDWOOB-ZDUSSCGKSA-N	-1	0	261.281	0.950	20	30		CCEDRM
Cc1[nH]nc(C(=O)N2CC[C@H](NCC#N)[C@@H]2C)c1[O-]	ZINC000986155746	632723827	/nfs/dbraw/zinc/72/38/27/632723827.db2.gz	CNSHDUJJEAXGMM-IUCAKERBSA-N	-1	0	263.301	0.140	20	30		CCEDRM
C=CCC[C@H](NC(=O)CNC(=O)C(C)(C)C)C(=O)[O-]	ZINC000262917657	632767681	/nfs/dbraw/zinc/76/76/81/632767681.db2.gz	NSPANZRWOXGSNW-VIFPVBQESA-N	-1	0	270.329	0.684	20	30		CCEDRM
N#Cc1cnc(N2C[C@@H](C(=O)[O-])[C@H](C3CC3)C2)cn1	ZINC000900400702	634011162	/nfs/dbraw/zinc/01/11/62/634011162.db2.gz	NULYQKBTKPZRHG-WDEREUQCSA-N	-1	0	258.281	0.895	20	30		CCEDRM
O=C([O-])c1ccc(C=NN2CCC[C@H]2CO)cc1O	ZINC000901252481	634215292	/nfs/dbraw/zinc/21/52/92/634215292.db2.gz	GZZZJYNHUMJVHU-JTQLQIEISA-N	-1	0	264.281	0.881	20	30		CCEDRM
N#Cc1ccc(CC(=O)N2CC[C@@H](C(=O)[O-])C2)cn1	ZINC000901440800	634248013	/nfs/dbraw/zinc/24/80/13/634248013.db2.gz	ZYOSABCYANBCLM-SNVBAGLBSA-N	-1	0	259.265	0.429	20	30		CCEDRM
C#CCCCC(=O)N[C@H](C(=O)[O-])C1CCOCC1	ZINC000910015623	635671986	/nfs/dbraw/zinc/67/19/86/635671986.db2.gz	NBDCUZVYIFOMBS-LBPRGKRZSA-N	-1	0	253.298	0.786	20	30		CCEDRM
C=C[C@H](O)C(=O)Nc1nc2c(s1)CC[C@@H](C(=O)[O-])C2	ZINC000910676910	635821778	/nfs/dbraw/zinc/82/17/78/635821778.db2.gz	IUMMQUXXUIOSJY-SVRRBLITSA-N	-1	0	282.321	0.818	20	30		CCEDRM
C#C[C@@H](NC(=O)c1cccc(C(=O)[O-])n1)C1CCOCC1	ZINC000911792190	636385233	/nfs/dbraw/zinc/38/52/33/636385233.db2.gz	QUPIBGXHRFQOAF-LLVKDONJSA-N	-1	0	288.303	0.938	20	30		CCEDRM
Cc1nnc(NN=C2c3ccccc3N(C)C2=O)[n-]c1=O	ZINC000916283119	637894747	/nfs/dbraw/zinc/89/47/47/637894747.db2.gz	YXSDNZFWCZGVGA-UHFFFAOYSA-N	-1	0	284.279	0.678	20	30		CCEDRM
N#CC(C(=O)NC1CC1)=C([O-])c1ccc2c(c1)OCC(=O)N2	ZINC000916927590	637931741	/nfs/dbraw/zinc/93/17/41/637931741.db2.gz	YGAHUFSKXGJVLB-JTQLQIEISA-N	-1	0	299.286	0.619	20	30		CCEDRM
Cn1cc([N+](=O)[O-])cc1C([O-])=C(C#N)C(=O)NC1CC1	ZINC000916930670	637932931	/nfs/dbraw/zinc/93/29/31/637932931.db2.gz	GNILJMNVMYNWEN-VIFPVBQESA-N	-1	0	276.252	0.534	20	30		CCEDRM
Cn1nc(C(F)(F)F)cc1Cn1c(=O)[n-]cc(C#N)c1=O	ZINC000917859614	637992142	/nfs/dbraw/zinc/99/21/42/637992142.db2.gz	YDGSNPPOWAAJRD-UHFFFAOYSA-N	-1	0	299.212	0.209	20	30		CCEDRM
N#CCCCS(=O)(=O)[N-]C(=O)c1cc(C#N)cs1	ZINC000181262957	638326827	/nfs/dbraw/zinc/32/68/27/638326827.db2.gz	AECARRGULWIHTO-UHFFFAOYSA-N	-1	0	283.334	0.983	20	30		CCEDRM
CC(C)c1cc(C(=O)[N-]S(=O)(=O)CCCC#N)n(C)n1	ZINC000181263002	638326929	/nfs/dbraw/zinc/32/69/29/638326929.db2.gz	KNWLFIIZKKCSMJ-UHFFFAOYSA-N	-1	0	298.368	0.907	20	30		CCEDRM
N#CCCCS(=O)(=O)[N-]C(=O)C[C@@H]1CCCO1	ZINC000181275712	638328953	/nfs/dbraw/zinc/32/89/53/638328953.db2.gz	PXINHOSFNAKLRR-VIFPVBQESA-N	-1	0	260.315	0.305	20	30		CCEDRM
O=C([O-])CNN=Cc1cc(-n2ccnc2)cs1	ZINC000814960529	638833678	/nfs/dbraw/zinc/83/36/78/638833678.db2.gz	SNDXKPWUFHWSAH-UHFFFAOYSA-N	-1	0	250.283	0.942	20	30		CCEDRM
O=C([O-])C(F)(F)Oc1ccc(C=NNCCO)cc1	ZINC000814942384	638833798	/nfs/dbraw/zinc/83/37/98/638833798.db2.gz	XRAORPVTJHHMPK-UHFFFAOYSA-N	-1	0	274.223	0.659	20	30		CCEDRM
N#Cc1ccc(F)cc1CN1CCO[C@@H](C(=O)[O-])C1	ZINC000085148082	638900567	/nfs/dbraw/zinc/90/05/67/638900567.db2.gz	NTNDCZPWXJFIJM-GFCCVEGCSA-N	-1	0	264.256	0.983	20	30		CCEDRM
COC[C@H](C)S(=O)(=O)[N-]C(=O)c1cccn1C	ZINC000073839132	639836330	/nfs/dbraw/zinc/83/63/30/639836330.db2.gz	MMFICXZJEJLSNG-QMMMGPOBSA-N	-1	0	260.315	0.694	20	30		CCEDRM
N#C[C@]1(C(=O)N2C[C@@H](C(=O)[O-])[C@H](C3CC3)C2)CCCOC1	ZINC000923086770	640019755	/nfs/dbraw/zinc/01/97/55/640019755.db2.gz	RAEUAIAMXAWPOY-YWPYICTPSA-N	-1	0	292.335	0.876	20	30		CCEDRM
N#C[C@]1(C(=O)NC[C@H](CC(=O)[O-])C2CC2)CCCOC1	ZINC000923094830	640021237	/nfs/dbraw/zinc/02/12/37/640021237.db2.gz	UGAUITXSKSRAFI-SMDDNHRTSA-N	-1	0	280.324	0.924	20	30		CCEDRM
N#C[C@@]1(C(=O)N[C@H]2C[C@@H]3C[C@]3(C(=O)[O-])C2)CCCOC1	ZINC000923102043	640022217	/nfs/dbraw/zinc/02/22/17/640022217.db2.gz	UXSHIYAUCILQOV-OAACRXHESA-N	-1	0	278.308	0.676	20	30		CCEDRM
Cc1ccc(C(=O)[N-]S(=O)(=O)[C@@H]2CCOC2)cc1C#N	ZINC000799610508	640587395	/nfs/dbraw/zinc/58/73/95/640587395.db2.gz	DJCDLTKRFOYLSQ-GFCCVEGCSA-N	-1	0	294.332	0.715	20	30		CCEDRM
N#Cc1ccc(CNC(=O)[C@@H]2CC[C@@H](C(=O)[O-])O2)nc1	ZINC000806555819	640791085	/nfs/dbraw/zinc/79/10/85/640791085.db2.gz	YITXAQZXBRRMSI-QWRGUYRKSA-N	-1	0	275.264	0.202	20	30		CCEDRM
Cc1cc(C)[nH]c(=N[N-]S(=O)(=O)c2ccc(C#N)o2)n1	ZINC000808065272	640846485	/nfs/dbraw/zinc/84/64/85/640846485.db2.gz	NAGQKRFPKYANSB-UHFFFAOYSA-N	-1	0	293.308	0.864	20	30		CCEDRM
N#Cc1cncc(S(=O)(=O)[N-]C(=O)[C@H]2CCSC2)c1	ZINC000813985248	641052331	/nfs/dbraw/zinc/05/23/31/641052331.db2.gz	SKZOTCHCJNPUGL-VIFPVBQESA-N	-1	0	297.361	0.511	20	30		CCEDRM
C[C@@H](C=Nn1c(=O)[n-][nH]c1=O)NC(=O)OC(C)(C)C	ZINC000814231997	641062225	/nfs/dbraw/zinc/06/22/25/641062225.db2.gz	SQGZFJUMIDSQCK-LURJTMIESA-N	-1	0	271.277	0.436	20	30		CCEDRM
COC(=O)c1ccccc1C=Nn1c(=O)[n-][nH]c1=O	ZINC000814231868	641062362	/nfs/dbraw/zinc/06/23/62/641062362.db2.gz	GQDRTJLFPUKOSO-UHFFFAOYSA-N	-1	0	262.225	0.358	20	30		CCEDRM
O=c1[n-][nH]c(=O)n1N=Cc1ccc([N+](=O)[O-])cc1F	ZINC000814231827	641062389	/nfs/dbraw/zinc/06/23/89/641062389.db2.gz	ORGLJFPGUYZWEG-UHFFFAOYSA-N	-1	0	267.176	0.619	20	30		CCEDRM
O=c1[n-][nH]c(=O)n1N=Cc1c(F)ccc(O)c1F	ZINC000814232388	641062594	/nfs/dbraw/zinc/06/25/94/641062594.db2.gz	USXAFGLXILRGDT-UHFFFAOYSA-N	-1	0	256.168	0.555	20	30		CCEDRM
C[C@@H]1C(=NN[C@H]2CCS(=O)(=O)C2)CC[C@H]1CC(=O)[O-]	ZINC000814680175	641072674	/nfs/dbraw/zinc/07/26/74/641072674.db2.gz	DLKBDBGKJGOXKS-GUBZILKMSA-N	-1	0	288.369	0.640	20	30		CCEDRM
Cc1nnc(NN=Cc2nc(C#N)cs2)[n-]c1=O	ZINC000814734396	641075971	/nfs/dbraw/zinc/07/59/71/641075971.db2.gz	AZTPDTJETCJLJK-UHFFFAOYSA-N	-1	0	261.270	0.660	20	30		CCEDRM
C[C@H]1CC(=NNCCS(C)(=O)=O)CC[C@H]1C(=O)[O-]	ZINC000814849206	641078412	/nfs/dbraw/zinc/07/84/12/641078412.db2.gz	LUNYYYQQJZZGIO-WCBMZHEXSA-N	-1	0	276.358	0.497	20	30		CCEDRM
C[C@H]1C[C@H](C(=O)[O-])CCC1=NNCCS(C)(=O)=O	ZINC000814849430	641078594	/nfs/dbraw/zinc/07/85/94/641078594.db2.gz	VKDZFJGTUPSPQS-DTWKUNHWSA-N	-1	0	276.358	0.497	20	30		CCEDRM
Cc1cc(C#N)cnc1C(=O)OCc1n[nH]c(=O)[n-]1	ZINC000815339187	641107132	/nfs/dbraw/zinc/10/71/32/641107132.db2.gz	DTFMPNCREAXSMB-UHFFFAOYSA-N	-1	0	259.225	0.442	20	30		CCEDRM
CS(=O)(=O)[N-]C(=O)c1cnc(C(F)(F)F)c(C#N)c1	ZINC000815894823	641128334	/nfs/dbraw/zinc/12/83/34/641128334.db2.gz	RTCFEDDBFAMRJU-UHFFFAOYSA-N	-1	0	293.226	0.661	20	30		CCEDRM
C[C@](C#N)(CC(=O)[O-])C(=O)NCc1noc(C2CC2)n1	ZINC000819848979	641436447	/nfs/dbraw/zinc/43/64/47/641436447.db2.gz	WFMSRDCWNHDDSY-GFCCVEGCSA-N	-1	0	278.268	0.568	20	30		CCEDRM
O=C(N[C@H]1CCN(O)C1=O)[C@@H]1CC12CCSCC2	ZINC000820138223	641469749	/nfs/dbraw/zinc/46/97/49/641469749.db2.gz	XULZQOPNQKVJHM-IUCAKERBSA-N	-1	0	270.354	0.626	20	30		CCEDRM
C[C@H](CC(=O)[N-]S(=O)(=O)CCCC#N)n1cccn1	ZINC000820510468	641512679	/nfs/dbraw/zinc/51/26/79/641512679.db2.gz	VAJAYJDZCZGJKW-SNVBAGLBSA-N	-1	0	284.341	0.584	20	30		CCEDRM
CC1CC(C(=O)Nc2nc(C#N)c(-c3nn[nH]n3)[n-]2)C1	ZINC000820650848	641523497	/nfs/dbraw/zinc/52/34/97/641523497.db2.gz	XLDLWOPSLLAFIZ-UHFFFAOYSA-N	-1	0	272.272	0.446	20	30		CCEDRM
N#CCCS(=O)(=O)[N-]C(=O)/C=C/[C@H]1CCCO1	ZINC000821047423	641558251	/nfs/dbraw/zinc/55/82/51/641558251.db2.gz	OJYZWPNTIDFYEF-XNPJLODASA-N	-1	0	258.299	0.081	20	30		CCEDRM
O=C([O-])[C@H]1CN(CC#Cc2ccc(F)cc2)CCO1	ZINC000821512459	641605517	/nfs/dbraw/zinc/60/55/17/641605517.db2.gz	ITBIMPAJJQVURU-CYBMUJFWSA-N	-1	0	263.268	0.963	20	30		CCEDRM
C#CC[C@@H]1CCN(C(=O)c2cccc(-n3[n-]nnc3=N)c2)C1	ZINC000824869935	641850335	/nfs/dbraw/zinc/85/03/35/641850335.db2.gz	MGYWPBUKUJRBCL-LLVKDONJSA-N	-1	0	296.334	0.560	20	30		CCEDRM
C[C@@H]1CC[C@@H](C(=O)Nc2nc(C#N)c(-c3nn[nH]n3)[n-]2)C1	ZINC000824911055	641853139	/nfs/dbraw/zinc/85/31/39/641853139.db2.gz	ZXSSYHDAKQCCGH-RNFRBKRXSA-N	-1	0	286.299	0.836	20	30		CCEDRM
N#Cc1c(-c2nnn[n-]2)ncn1Cc1cccnc1	ZINC000826383040	641930083	/nfs/dbraw/zinc/93/00/83/641930083.db2.gz	HQGCZJKSNOJRPL-UHFFFAOYSA-N	-1	0	252.241	0.378	20	30		CCEDRM
Cn1c(C#N)ccc1C(=O)[N-]S(=O)(=O)CC(F)(F)F	ZINC000835186047	642652935	/nfs/dbraw/zinc/65/29/35/642652935.db2.gz	FRAWPSNRFARHLK-UHFFFAOYSA-N	-1	0	295.242	0.519	20	30		CCEDRM
Cc1cc(C)c(C(=O)[O-])cc1C=NNC1=NCCN1	ZINC000841660464	642828633	/nfs/dbraw/zinc/82/86/33/642828633.db2.gz	PSNXGKPRHRBIFY-UHFFFAOYSA-N	-1	0	260.297	0.884	20	30		CCEDRM
C[C@@H](C#N)CN(C)S(=O)(=O)NCC[C@H](C)C(=O)[O-]	ZINC000844784333	643248371	/nfs/dbraw/zinc/24/83/71/643248371.db2.gz	FIPBBFGIKAEPSC-IUCAKERBSA-N	-1	0	277.346	0.023	20	30		CCEDRM
C[C@@H](Cc1ccc(C#N)cc1)C(=O)[N-]S(C)(=O)=O	ZINC000847618146	643537768	/nfs/dbraw/zinc/53/77/68/643537768.db2.gz	FYKANUFGIKZAKC-VIFPVBQESA-N	-1	0	266.322	0.813	20	30		CCEDRM
Cc1nn(C(C)C)cc1C(=O)[N-]S(=O)(=O)CCC#N	ZINC000847708548	643549651	/nfs/dbraw/zinc/54/96/51/643549651.db2.gz	XAFIQAKWBWRSSO-UHFFFAOYSA-N	-1	0	284.341	0.746	20	30		CCEDRM
N#CCCCS(=O)(=O)[N-]C(=O)[C@H]1C[C@H]2C[C@H]2C1	ZINC000850926973	643822439	/nfs/dbraw/zinc/82/24/39/643822439.db2.gz	VZHOHKWCPQURAI-MYJAWHEDSA-N	-1	0	256.327	0.782	20	30		CCEDRM
C[C@H](CC#N)C(=O)[N-]S(=O)(=O)CC(C)(C)C#N	ZINC000850930909	643822553	/nfs/dbraw/zinc/82/25/53/643822553.db2.gz	ZSZYDEAAUSTJGJ-MRVPVSSYSA-N	-1	0	257.315	0.532	20	30		CCEDRM
N#CCCS(=O)(=O)[N-]C(=O)CCCc1cccnc1	ZINC000851015220	643826431	/nfs/dbraw/zinc/82/64/31/643826431.db2.gz	AFWDQRWXSYSVTN-UHFFFAOYSA-N	-1	0	281.337	0.764	20	30		CCEDRM
Cc1ncc(/C=C/C(=O)[N-]S(=O)(=O)CCC#N)s1	ZINC000860751490	644826619	/nfs/dbraw/zinc/82/66/19/644826619.db2.gz	DTQOQVZXHAYJKQ-ONEGZZNKSA-N	-1	0	285.350	0.824	20	30		CCEDRM
O=C([O-])c1ccc(C=NN[C@H]2CCCS(=O)(=O)C2)cc1	ZINC000863128424	645061272	/nfs/dbraw/zinc/06/12/72/645061272.db2.gz	NRKDVISUVAVIPA-LBPRGKRZSA-N	-1	0	296.348	0.886	20	30		CCEDRM
Cc1c(C(=O)[O-])oc2c1C(=NNC1=NCC(=O)N1)CCC2	ZINC000863174832	645065527	/nfs/dbraw/zinc/06/55/27/645065527.db2.gz	FHKFZQVIRJMDKK-UHFFFAOYSA-N	-1	0	290.279	0.402	20	30		CCEDRM
C[C@@]1([N-]C(=O)C(F)(F)F)CCN(c2ccnc(C#N)n2)C1	ZINC000866283591	645512702	/nfs/dbraw/zinc/51/27/02/645512702.db2.gz	YBWMNLBXORXRCH-LLVKDONJSA-N	-1	0	299.256	0.996	20	30		CCEDRM
COc1cnc(C([O-])=C(C#N)C(=O)NC2CC2)c(F)c1	ZINC000870143117	645965134	/nfs/dbraw/zinc/96/51/34/645965134.db2.gz	QJWWHSQRWZTRNN-VIFPVBQESA-N	-1	0	277.255	0.830	20	30		CCEDRM
N#Cc1cccc(O[N-]C(=O)[C@H]2CCCC(=O)N2)c1	ZINC000870691045	646017329	/nfs/dbraw/zinc/01/73/29/646017329.db2.gz	YKFIIDBQIIVCFE-LLVKDONJSA-N	-1	0	259.265	0.637	20	30		CCEDRM
N#Cc1cccc(O[N-]C(=O)CS(=O)(=O)C2CC2)c1	ZINC000870690197	646017598	/nfs/dbraw/zinc/01/75/98/646017598.db2.gz	KEZZCIMLJSUBKD-UHFFFAOYSA-N	-1	0	280.305	0.545	20	30		CCEDRM
N#Cc1c[n-]c(=O)n(C[C@@H]2CC3(CCC3)CO2)c1=O	ZINC000871675746	646167862	/nfs/dbraw/zinc/16/78/62/646167862.db2.gz	XWKCEWCRRYWAIY-JTQLQIEISA-N	-1	0	261.281	0.367	20	30		CCEDRM
CS(=O)(=O)CCn1[n-]c(-c2cccc(C#N)c2)cc1=O	ZINC000871950385	646198021	/nfs/dbraw/zinc/19/80/21/646198021.db2.gz	BCZBONUVWRFFHS-UHFFFAOYSA-N	-1	0	291.332	0.539	20	30		CCEDRM
Cc1c(C(=O)[O-])cccc1S(=O)(=O)N1CC(C#N)C1	ZINC000871967279	646200632	/nfs/dbraw/zinc/20/06/32/646200632.db2.gz	JVOBQXVGQRAKDJ-UHFFFAOYSA-N	-1	0	280.305	0.837	20	30		CCEDRM
C[C@@H](C#N)C[N-]S(=O)(=O)N=[S@](C)(=O)C(C)(C)C	ZINC000872456169	646264721	/nfs/dbraw/zinc/26/47/21/646264721.db2.gz	JXOJYHGBMGHGTF-ZKANADHPSA-N	-1	0	281.403	0.877	20	30		CCEDRM
CC#CCS(=O)(=O)[N-]C(=O)C1(OC(C)C)CCC1	ZINC000873526345	646385298	/nfs/dbraw/zinc/38/52/98/646385298.db2.gz	PZPSKYVDEBPDDR-UHFFFAOYSA-N	-1	0	273.354	0.803	20	30		CCEDRM
Cn1nnc([N-]S(=O)(=O)c2cc(C#N)ccc2Cl)n1	ZINC000127347460	646981508	/nfs/dbraw/zinc/98/15/08/646981508.db2.gz	FETMSPBHWDRCPH-UHFFFAOYSA-N	-1	0	298.715	0.536	20	30		CCEDRM
N#Cc1nc(NC(=O)c2ccnc(F)c2)[n-]c1C#N	ZINC000132528407	647551906	/nfs/dbraw/zinc/55/19/06/647551906.db2.gz	FEMMDDSRAGZAJT-UHFFFAOYSA-N	-1	0	256.200	0.939	20	30		CCEDRM
N#Cc1ccccc1S(=O)(=O)NC/C=C/C(=O)[O-]	ZINC000302132875	648147884	/nfs/dbraw/zinc/14/78/84/648147884.db2.gz	ZVWUCGZMEJZAKD-ZZXKWVIFSA-N	-1	0	266.278	0.477	20	30		CCEDRM
O=C([O-])C#CC1CCN(C(=O)O[C@H]2CCOC2)CC1	ZINC000926484603	648506335	/nfs/dbraw/zinc/50/63/35/648506335.db2.gz	BDLLRLWSIJHNRE-NSHDSACASA-N	-1	0	267.281	0.712	20	30		CCEDRM
C#CCN1CCN(C(=O)c2cccc(F)c2[O-])CC1	ZINC000932710320	649086384	/nfs/dbraw/zinc/08/63/84/649086384.db2.gz	QWZFCNBGFIIAGD-UHFFFAOYSA-N	-1	0	262.284	0.922	20	30		CCEDRM
Cc1csc(=O)n1CCC(=O)[N-]S(C)(=O)=O	ZINC000042279150	649287833	/nfs/dbraw/zinc/28/78/33/649287833.db2.gz	JUMRLTQJQIDANA-UHFFFAOYSA-N	-1	0	264.328	0.524	20	30		CCEDRM
COCCNC(=O)C(C#N)=C([O-])c1cccc2c[nH]nc21	ZINC000193423687	649537650	/nfs/dbraw/zinc/53/76/50/649537650.db2.gz	MECHNPXEKJFZPN-NSHDSACASA-N	-1	0	286.291	0.648	20	30		CCEDRM
COCCS(=O)(=O)[N-]C(=O)c1cc(C(C)C)n(C)n1	ZINC000080291964	649541625	/nfs/dbraw/zinc/54/16/25/649541625.db2.gz	GGWBAZPKPSSUKT-UHFFFAOYSA-N	-1	0	289.357	0.824	20	30		CCEDRM
CNC(=O)C(C#N)=C([O-])c1nc(SC)ncc1Cl	ZINC000193637876	649551828	/nfs/dbraw/zinc/55/18/28/649551828.db2.gz	DKYLDZNNSKPFFW-RXMQYKEDSA-N	-1	0	284.728	0.920	20	30		CCEDRM
N#CCc1ccccc1OC(=O)[C@H](O)CCC(=O)[O-]	ZINC001230273194	805591816	/nfs/dbraw/zinc/59/18/16/805591816.db2.gz	WZKZIHPLJPRWKW-SNVBAGLBSA-N	-1	0	263.249	0.884	20	30		CCEDRM
COC(=O)c1cnc(O[C@@H]2C[C@@H]3[C@H]4O[C@H]4[C@H](C2)N3C)[n-]1	ZINC001230281610	805592402	/nfs/dbraw/zinc/59/24/02/805592402.db2.gz	BDJIXWQIHZFZAY-FRQULTQSSA-N	-1	0	279.296	0.188	20	30		CCEDRM
C#CCN(CC(=O)[O-])C(=O)NC[C@@H]1CCCSC1	ZINC000384053110	968119594	/nfs/dbraw/zinc/11/95/94/968119594.db2.gz	JGLLOHSJSXHLAW-JTQLQIEISA-N	-1	0	270.354	0.859	20	30		CCEDRM
COc1ccc(-n2nc(N)c(C#N)c2N)cc1C(=O)[O-]	ZINC001209900422	790711735	/nfs/dbraw/zinc/71/17/35/790711735.db2.gz	DDLJWIPMYPUMRD-UHFFFAOYSA-N	-1	0	273.252	0.615	20	30		CCEDRM
C#C[C@@H]1CCCN(S(=O)(=O)c2cc(C(=O)[O-])n(C)c2)C1	ZINC000692286685	791056584	/nfs/dbraw/zinc/05/65/84/791056584.db2.gz	GPXWLHGLLYQHHL-SNVBAGLBSA-N	-1	0	296.348	0.757	20	30		CCEDRM
C[C@H]1CN(C)C(=O)CN1Cc1cc(C#N)ccc1[O-]	ZINC001232677874	805969508	/nfs/dbraw/zinc/96/95/08/805969508.db2.gz	MAWXEHGPERVZSO-JTQLQIEISA-N	-1	0	259.309	0.926	20	30		CCEDRM
N#Cc1ccc([O-])c(CN2CCn3ncnc3C2)c1	ZINC001232674282	805970421	/nfs/dbraw/zinc/97/04/21/805970421.db2.gz	VIEGFMRZWBCXMT-UHFFFAOYSA-N	-1	0	255.281	0.871	20	30		CCEDRM
C=CCOCCNC(=O)c1csc(C(=O)[O-])n1	ZINC000721475550	791172214	/nfs/dbraw/zinc/17/22/14/791172214.db2.gz	GFEPOFXMCOCRIF-UHFFFAOYSA-N	-1	0	256.283	0.774	20	30		CCEDRM
COc1cc(N=C(NO)c2nonc2N)cc(C(=O)[O-])c1	ZINC001213583026	791298800	/nfs/dbraw/zinc/29/88/00/791298800.db2.gz	KMANVCZPJMBDQH-UHFFFAOYSA-N	-1	0	293.239	0.416	20	30		CCEDRM
CS(=O)(=O)[C@H]1CCN(Cc2ccc(C#N)cc2O)C1	ZINC001233386121	806053314	/nfs/dbraw/zinc/05/33/14/806053314.db2.gz	GZLIJAKFKWBWQO-LBPRGKRZSA-N	-1	0	280.349	0.883	20	30		CCEDRM
CC(C)(C)OC(=O)N1CCN(C(=O)C(=O)[O-])C[C@H]1C#N	ZINC001143413855	791380654	/nfs/dbraw/zinc/38/06/54/791380654.db2.gz	YGFOAKUHNJIZAM-MRVPVSSYSA-N	-1	0	283.284	0.042	20	30		CCEDRM
COc1cc(/C=N/O)ccc1OC(=O)[C@H](O)CC(=O)[O-]	ZINC001233800422	806123458	/nfs/dbraw/zinc/12/34/58/806123458.db2.gz	QCBLKZCUPZDWRS-VVESDKHQSA-N	-1	0	283.236	0.244	20	30		CCEDRM
CCCCCCC[C@@H](C)Oc1c([O-])c(=O)c(=O)c(=O)c1=O	ZINC001234372035	806231696	/nfs/dbraw/zinc/23/16/96/806231696.db2.gz	AMGKECYLDBDDQJ-SECBINFHSA-N	-1	0	296.319	0.836	20	30		CCEDRM
C[C@@H](O)CC(=O)Oc1[n-]c(=O)nc2cccc(C#N)c21	ZINC001234510816	806265058	/nfs/dbraw/zinc/26/50/58/806265058.db2.gz	GGFMAGMXQDORKA-SSDOTTSWSA-N	-1	0	273.248	0.883	20	30		CCEDRM
C=CCn1c(-c2noc(=O)[nH]2)nnc1N1C[C@@H](C)[C@H](C)C1	ZINC001121578101	799058933	/nfs/dbraw/zinc/05/89/33/799058933.db2.gz	FSFVBXUYBQKLAZ-RKDXNWHRSA-N	-1	0	290.327	0.900	20	30		CCEDRM
C#CCCCNC(=O)N[C@@H]1CCCCN(CC(=O)[O-])C1=O	ZINC001121901752	799087813	/nfs/dbraw/zinc/08/78/13/799087813.db2.gz	UBZPBUQICRWJQT-LLVKDONJSA-N	-1	0	295.339	0.165	20	30		CCEDRM
C=C(C)C[C@H](CO)NC(=O)NC[C@@H](C(=O)[O-])C(C)C	ZINC001121918302	799092933	/nfs/dbraw/zinc/09/29/33/799092933.db2.gz	FNIZIHMHEPAFIY-GHMZBOCLSA-N	-1	0	272.345	0.970	20	30		CCEDRM
Cn1ccnc1C([O-])=C(C#N)C(=O)C[C@@H]1CCOC1	ZINC001122715118	799288794	/nfs/dbraw/zinc/28/87/94/799288794.db2.gz	XNACCUFKXJPVHS-VHSXEESVSA-N	-1	0	261.281	0.738	20	30		CCEDRM
N#CCNC(=O)CNC(=O)c1ccc(Cl)c([O-])c1	ZINC001140178111	799885726	/nfs/dbraw/zinc/88/57/26/799885726.db2.gz	ZIQJHPPJWXQQBG-UHFFFAOYSA-N	-1	0	267.672	0.415	20	30		CCEDRM
CN(C)c1nc(NC(=O)C2(C#N)CC2)c(N=O)c(=O)[n-]1	ZINC001143171826	800203265	/nfs/dbraw/zinc/20/32/65/800203265.db2.gz	GPKIXRKAEYDCLR-UHFFFAOYSA-N	-1	0	276.256	0.888	20	30		CCEDRM
N#Cc1sccc1C(=O)NCc1nc(=O)o[n-]1	ZINC001151977407	800476064	/nfs/dbraw/zinc/47/60/64/800476064.db2.gz	IEFJESHDFRXSFQ-UHFFFAOYSA-N	-1	0	250.239	0.226	20	30		CCEDRM
Cn1cc(NC(=O)c2c[n-]c3cccnc3c2=O)c(C#N)n1	ZINC001153850382	800677796	/nfs/dbraw/zinc/67/77/96/800677796.db2.gz	AAHMQAVIASZJOG-UHFFFAOYSA-N	-1	0	294.274	0.781	20	30		CCEDRM
COC(=O)c1cc(C#N)cnc1N[C@@H]1SC(=O)[N-]C1=O	ZINC001155844616	801065222	/nfs/dbraw/zinc/06/52/22/801065222.db2.gz	QDLJCPCGTQNHRR-SECBINFHSA-N	-1	0	292.276	0.461	20	30		CCEDRM
N#Cc1c(N[C@@H]2CO[N-]C2=O)ncc2c1CCCC2	ZINC001156696199	801214952	/nfs/dbraw/zinc/21/49/52/801214952.db2.gz	BBZFGKPNSSFNBE-LLVKDONJSA-N	-1	0	258.281	0.674	20	30		CCEDRM
Cc1cc(C#N)c(=O)[n-]c1C(=O)NCc1ccncn1	ZINC001156993467	801284250	/nfs/dbraw/zinc/28/42/50/801284250.db2.gz	VOHRDIMEJIQAQR-UHFFFAOYSA-N	-1	0	269.264	0.687	20	30		CCEDRM
Cc1n[nH]c(C(=O)NCc2nc(C#N)cs2)c1[O-]	ZINC001157492971	801400041	/nfs/dbraw/zinc/40/00/41/801400041.db2.gz	TWWCMWKPXATIDL-UHFFFAOYSA-N	-1	0	263.282	0.682	20	30		CCEDRM
C=CCONC(=O)c1cc(=O)n(-c2nc(C)cc(C)n2)[n-]1	ZINC001158209090	801596268	/nfs/dbraw/zinc/59/62/68/801596268.db2.gz	ZWAMBJGTPMHMIQ-UHFFFAOYSA-N	-1	0	289.295	0.420	20	30		CCEDRM
C=C(CO)C(=O)N[C@H](c1nc(=O)o[n-]1)C(C)(C)C	ZINC001162934240	802440733	/nfs/dbraw/zinc/44/07/33/802440733.db2.gz	BWPQAUIXTBFMLO-SSDOTTSWSA-N	-1	0	255.274	0.115	20	30		CCEDRM
C=CCS(=O)(=O)[N-]c1nc(C(=O)OC)ccc1OC	ZINC001259922741	808804673	/nfs/dbraw/zinc/80/46/73/808804673.db2.gz	HAAZROIVQPNKMO-UHFFFAOYSA-N	-1	0	286.309	0.805	20	30		CCEDRM
C=CC[C@H](NC(=O)C1CCN(OC)CC1)C(=O)[O-]	ZINC001262177219	809222589	/nfs/dbraw/zinc/22/25/89/809222589.db2.gz	OMMQMDVKGAXESK-JTQLQIEISA-N	-1	0	256.302	0.405	20	30		CCEDRM
N#Cc1cnccc1[N-]S(=O)(=O)c1ccc(O)c(N)c1	ZINC001214013480	803710793	/nfs/dbraw/zinc/71/07/93/803710793.db2.gz	QOFQZGKTWPRQCP-UHFFFAOYSA-N	-1	0	290.304	0.464	20	30		CCEDRM
N#Cc1c(N)nn(-c2cc(C(=O)[O-])cnc2F)c1N	ZINC001215124314	803777847	/nfs/dbraw/zinc/77/78/47/803777847.db2.gz	LAVUPPSBPLEXJV-UHFFFAOYSA-N	-1	0	262.204	0.141	20	30		CCEDRM
C=CCOC[C@@H](CS(=O)(=O)[O-])OCCCCO	ZINC001217870282	803922443	/nfs/dbraw/zinc/92/24/43/803922443.db2.gz	IXXYZVRYLYEBJF-JTQLQIEISA-N	-1	0	268.331	0.235	20	30		CCEDRM
C=CCCOCCNS(=O)(=O)[C@H]1CC[C@H]1C(=O)[O-]	ZINC001465113398	804132237	/nfs/dbraw/zinc/13/22/37/804132237.db2.gz	ITYQYIQPSLSXBN-ZJUUUORDSA-N	-1	0	277.342	0.362	20	30		CCEDRM
C#CCN(C1CCC1)S(=O)(=O)[C@H]1CC[C@H]1C(=O)[O-]	ZINC001465114561	804143744	/nfs/dbraw/zinc/14/37/44/804143744.db2.gz	HEXAKLUEGMSVQU-MNOVXSKESA-N	-1	0	271.338	0.667	20	30		CCEDRM
C=CCC[C@H](NS(=O)(=O)CCOCC)C(=O)[O-]	ZINC000316265527	804683984	/nfs/dbraw/zinc/68/39/84/804683984.db2.gz	GKRHXVJMYWIMAE-VIFPVBQESA-N	-1	0	265.331	0.362	20	30		CCEDRM
C=CCC[C@@H](NC(=O)NCCCN1CCOCC1)C(=O)[O-]	ZINC000316538887	804707444	/nfs/dbraw/zinc/70/74/44/804707444.db2.gz	XEVQCEBNMPQMSL-GFCCVEGCSA-N	-1	0	299.371	0.427	20	30		CCEDRM
C=CCC[C@H](NC(=O)c1cncc(O)c1)C(=O)[O-]	ZINC000316612907	804712120	/nfs/dbraw/zinc/71/21/20/804712120.db2.gz	LMXDRYUWPJPOBD-JTQLQIEISA-N	-1	0	250.254	0.936	20	30		CCEDRM
C=CCOCC(COCC=C)OCCS(=O)(=O)[O-]	ZINC001224569567	805056872	/nfs/dbraw/zinc/05/68/72/805056872.db2.gz	VHMXLVQIRHCYOQ-UHFFFAOYSA-N	-1	0	280.342	0.665	20	30		CCEDRM
C=CCOC[C@H](CS(=O)(=O)[O-])Oc1ccncn1	ZINC001225586962	805143553	/nfs/dbraw/zinc/14/35/53/805143553.db2.gz	FDARZVXBUWZSAK-SECBINFHSA-N	-1	0	274.298	0.314	20	30		CCEDRM
C#C[C@@H](Oc1c([O-])c(=O)c(=O)c1=O)c1ccccc1	ZINC001225830087	805167075	/nfs/dbraw/zinc/16/70/75/805167075.db2.gz	FGLKHKKNOUEORO-SECBINFHSA-N	-1	0	256.213	0.102	20	30		CCEDRM
CC1=C(Oc2[n-]c(=O)ncc2[N+](=O)[O-])C(=O)[C@@H](C)O1	ZINC001226331163	805219938	/nfs/dbraw/zinc/21/99/38/805219938.db2.gz	IGNGMUJICBWFRS-SCSAIBSYSA-N	-1	0	267.197	0.689	20	30		CCEDRM
N#CCN1CC[C@@H](Oc2nc(=O)[n-]cc2[N+](=O)[O-])C1	ZINC001226331078	805220525	/nfs/dbraw/zinc/22/05/25/805220525.db2.gz	GNJAJIOZFQDUOB-SSDOTTSWSA-N	-1	0	265.229	0.067	20	30		CCEDRM
C=CCOC[C@H](CS(=O)(=O)[O-])Oc1nnccc1C	ZINC001226640428	805260217	/nfs/dbraw/zinc/26/02/17/805260217.db2.gz	YRFJPQCZFOYQFT-SNVBAGLBSA-N	-1	0	288.325	0.623	20	30		CCEDRM
C#C[C@H](Oc1[n-]c(=O)nc2cnncc21)C(=O)OCC	ZINC001226690754	805267193	/nfs/dbraw/zinc/26/71/93/805267193.db2.gz	HXPDZPYVNREUTI-VIFPVBQESA-N	-1	0	274.236	0.069	20	30		CCEDRM
C=CCOC[C@H](CS(=O)(=O)[O-])Oc1ncc(C)cn1	ZINC001227053753	805314008	/nfs/dbraw/zinc/31/40/08/805314008.db2.gz	OVEAGBNJCRJUJF-SNVBAGLBSA-N	-1	0	288.325	0.623	20	30		CCEDRM
C=CCOC[C@H](CS(=O)(=O)[O-])Oc1ccn(C)n1	ZINC001227684189	805377890	/nfs/dbraw/zinc/37/78/90/805377890.db2.gz	JGMSVAWMCXVVOL-SECBINFHSA-N	-1	0	276.314	0.258	20	30		CCEDRM
C=CCOCCCC(=O)[N-]S(=O)(=O)C1CCOCC1	ZINC001252294437	807803274	/nfs/dbraw/zinc/80/32/74/807803274.db2.gz	BNAMSMWQFRJVQB-UHFFFAOYSA-N	-1	0	291.369	0.594	20	30		CCEDRM
N#Cc1cncc([N-]S(=O)(=O)CC(F)(F)F)n1	ZINC001253113188	808004837	/nfs/dbraw/zinc/00/48/37/808004837.db2.gz	BKPSIKDBHASFOG-UHFFFAOYSA-N	-1	0	266.204	0.652	20	30		CCEDRM
C#Cc1cc([N-]S(=O)(=O)CC(F)(F)F)ccn1	ZINC001253106910	808005547	/nfs/dbraw/zinc/00/55/47/808005547.db2.gz	LAKSBHSOLCZNFH-UHFFFAOYSA-N	-1	0	264.228	0.789	20	30		CCEDRM
C=C(C)c1cn(CCOCCOCCC(=O)[O-])nn1	ZINC001254089406	808178902	/nfs/dbraw/zinc/17/89/02/808178902.db2.gz	YZPKAIKJQKUJKJ-UHFFFAOYSA-N	-1	0	269.301	0.819	20	30		CCEDRM
N#Cc1ccccc1S(=O)(=O)N[C@H]1SC(=O)[N-]C1=O	ZINC001258295018	808668928	/nfs/dbraw/zinc/66/89/28/808668928.db2.gz	ZJYQXEZCSVFEJG-VIFPVBQESA-N	-1	0	297.317	0.146	20	30		CCEDRM
COC(=O)CS(=O)(=O)[N-]c1c(F)ccc(F)c1C#N	ZINC001259027224	808723616	/nfs/dbraw/zinc/72/36/16/808723616.db2.gz	RAOGHASSIVXPCI-UHFFFAOYSA-N	-1	0	290.247	0.751	20	30		CCEDRM
N#Cc1cc([N-]S(=O)(=O)c2cccnc2)ccn1	ZINC001259602104	808760728	/nfs/dbraw/zinc/76/07/28/808760728.db2.gz	GYENMJTXSKWNNQ-UHFFFAOYSA-N	-1	0	260.278	0.571	20	30		CCEDRM
C=CCS(=O)(=O)[N-]c1nc(Cl)nc2c1ncn2C	ZINC001259923404	808805354	/nfs/dbraw/zinc/80/53/54/808805354.db2.gz	IOCUAFOORCJRGK-UHFFFAOYSA-N	-1	0	287.732	0.944	20	30		CCEDRM
C=CCn1cnc2c1ncnc2[N-]S(=O)(=O)CC=C	ZINC001259923229	808805501	/nfs/dbraw/zinc/80/55/01/808805501.db2.gz	YTEPSGXHRPYZJX-UHFFFAOYSA-N	-1	0	279.325	0.940	20	30		CCEDRM
Cc1nc(C#N)ccc1[N-]S(=O)(=O)c1ccn(C)n1	ZINC001259938042	808812613	/nfs/dbraw/zinc/81/26/13/808812613.db2.gz	BIPBPNLQCUBYTJ-UHFFFAOYSA-N	-1	0	277.309	0.796	20	30		CCEDRM
Cc1nc(S(=O)(=O)[N-]c2c(C#N)ncn2C)cn1C	ZINC001260542797	808862863	/nfs/dbraw/zinc/86/28/63/808862863.db2.gz	PPGGTGGODSJESU-UHFFFAOYSA-N	-1	0	280.313	0.135	20	30		CCEDRM
C=C(C)CO[N-]C(=O)C(=O)Nc1cnc(C)nc1	ZINC001261514523	809005509	/nfs/dbraw/zinc/00/55/09/809005509.db2.gz	GEKXDZVSGICEMI-UHFFFAOYSA-N	-1	0	250.258	0.347	20	30		CCEDRM
CNC(=O)C(C#N)=C([O-])c1ccc(F)c(S(C)(=O)=O)c1	ZINC001263294488	809504595	/nfs/dbraw/zinc/50/45/95/809504595.db2.gz	ZBBIGCKXIRUVRP-QMMMGPOBSA-N	-1	0	298.295	0.298	20	30		CCEDRM
C#CC[C@@H](NC(=O)Nc1cnn(CCC)c1)C(=O)[O-]	ZINC000722369051	812212073	/nfs/dbraw/zinc/21/20/73/812212073.db2.gz	BOWIVZZGJLYTCP-SNVBAGLBSA-N	-1	0	264.285	0.891	20	30		CCEDRM
C#CCCCC(=O)N(CC)CC[NH2+]Cc1n[nH]c(=O)[n-]1	ZINC001268448599	812575856	/nfs/dbraw/zinc/57/58/56/812575856.db2.gz	RMNPZEBWALSIHM-UHFFFAOYSA-N	-1	0	279.344	0.252	20	30		CCEDRM
C=CCS(=O)(=O)[N-]c1cccc2c(=O)[nH][nH]c(=O)c12	ZINC000711136970	813339760	/nfs/dbraw/zinc/33/97/60/813339760.db2.gz	FDVGFCLRSHVYMI-UHFFFAOYSA-N	-1	0	281.293	0.969	20	30		CCEDRM
C=CCOC[C@@H](CS(=O)(=O)[O-])Oc1ncncc1F	ZINC001226708768	814094881	/nfs/dbraw/zinc/09/48/81/814094881.db2.gz	YYOWTLCVFKQPMG-QMMMGPOBSA-N	-1	0	292.288	0.454	20	30		CCEDRM
N#CCCN1CC(OCCCC[P@](=O)([O-])O)C1	ZINC001225019069	815901223	/nfs/dbraw/zinc/90/12/23/815901223.db2.gz	QDUNTNXTPFFFLR-UHFFFAOYSA-N	-1	0	262.246	0.559	20	30		CCEDRM
N#CCN1CC(CNC(=O)c2ccc3oc(=O)nc-3[n-]2)C1	ZINC001032125675	817652953	/nfs/dbraw/zinc/65/29/53/817652953.db2.gz	UFNPBWWBEDFLML-UHFFFAOYSA-N	-1	0	287.279	0.114	20	30		CCEDRM
C#CCO[N-]C(=O)CNC(=O)c1cccc(Cl)c1	ZINC000700626579	818822296	/nfs/dbraw/zinc/82/22/96/818822296.db2.gz	MGEPLIMFGXPTAO-UHFFFAOYSA-N	-1	0	266.684	0.751	20	30		CCEDRM
CC#CCCNC(=O)N1C[C@H](OC)C[C@@]1(C)C(=O)[O-]	ZINC000702729868	819169160	/nfs/dbraw/zinc/16/91/60/819169160.db2.gz	WPFKGYZACKZMPB-MFKMUULPSA-N	-1	0	268.313	0.673	20	30		CCEDRM
Cc1[nH]nc(C(=O)N2CC[C@H](NCC#N)[C@H](C)C2)c1[O-]	ZINC001035996677	819668260	/nfs/dbraw/zinc/66/82/60/819668260.db2.gz	ZWZRGYOKOCWYEG-SCZZXKLOSA-N	-1	0	277.328	0.388	20	30		CCEDRM
C=CCC[N@H+]1CC[C@@H]1CN(C)C(=O)c1n[nH]c(=O)[n-]c1=O	ZINC001085699675	821909358	/nfs/dbraw/zinc/90/93/58/821909358.db2.gz	UCTPXIBWKBXTCM-SECBINFHSA-N	-1	0	293.327	0.005	20	30		CCEDRM
N#Cc1cc(F)cnc1N[C@@H]1SC(=O)[N-]C1=O	ZINC001155836478	822257488	/nfs/dbraw/zinc/25/74/88/822257488.db2.gz	FKGHKLSPPSRLSJ-MRVPVSSYSA-N	-1	0	252.230	0.813	20	30		CCEDRM
N#C[C@H](Cc1ccc(O)cc1)C(=O)NCS(=O)(=O)[O-]	ZINC001183613558	844056742	/nfs/dbraw/zinc/05/67/42/844056742.db2.gz	PVNUXGJAQIJYMH-VIFPVBQESA-N	-1	0	284.293	0.036	20	30		CCEDRM
O=C(CCC(=O)C1=CC=C[CH]1)N[C@H]1COCC[C@@H]1O	ZINC001184243242	844187433	/nfs/dbraw/zinc/18/74/33/844187433.db2.gz	AUKXOZCPMANPEV-AAEUAGOBSA-N	-1	0	264.301	0.302	20	30		CCEDRM
CC(=O)NC[C@H](C)CNC(=O)CCC(=O)C1=CC=C[CH]1	ZINC001184246744	844189093	/nfs/dbraw/zinc/18/90/93/844189093.db2.gz	YSCNPLHVLLTXBY-NSHDSACASA-N	-1	0	277.344	0.925	20	30		CCEDRM
C=C(CC(=O)OCCCC)C(=O)NCC(=O)CCC(=O)[O-]	ZINC001184313555	844201200	/nfs/dbraw/zinc/20/12/00/844201200.db2.gz	PIVLXYUWQOCGSD-UHFFFAOYSA-N	-1	0	299.323	0.826	20	30		CCEDRM
C=CC(C)(C)CC(=O)N1CCN(Cc2n[nH]c(=O)[n-]2)CC1	ZINC001112894519	836958137	/nfs/dbraw/zinc/95/81/37/836958137.db2.gz	HCRQFOGTEZMGNE-UHFFFAOYSA-N	-1	0	293.371	0.757	20	30		CCEDRM
N#Cc1ncc([N-]S(=O)(=O)c2cnc(Cl)nc2)cn1	ZINC001185006302	844321487	/nfs/dbraw/zinc/32/14/87/844321487.db2.gz	WXRICBNAAZPMFL-UHFFFAOYSA-N	-1	0	296.699	0.592	20	30		CCEDRM
Cc1[nH]nc(C(=O)N2CC[C@H](C)[C@@H](CNCC#N)C2)c1[O-]	ZINC001132751727	838486564	/nfs/dbraw/zinc/48/65/64/838486564.db2.gz	KNTVSNYJSCIYTN-ONGXEEELSA-N	-1	0	291.355	0.635	20	30		CCEDRM
CC(C)[C@@]1(C)C[C@H]1Nc1[n-]c(=O)n(C)c(=O)c1C#N	ZINC001186661704	844588111	/nfs/dbraw/zinc/58/81/11/844588111.db2.gz	IQLKCOXDIWPFCJ-NOZJJQNGSA-N	-1	0	262.313	0.792	20	30		CCEDRM
Cc1nnc(N(C)Cc2nc(=O)o[n-]2)c(C#N)c1C	ZINC001186813553	844605017	/nfs/dbraw/zinc/60/50/17/844605017.db2.gz	CYJAOGNYCZPUBV-UHFFFAOYSA-N	-1	0	260.257	0.278	20	30		CCEDRM
Cn1ncc2c1cccc2NC(=N[O-])c1nonc1N	ZINC001175431915	842250922	/nfs/dbraw/zinc/25/09/22/842250922.db2.gz	ANQOCJRFJZAGKB-UHFFFAOYSA-N	-1	0	273.256	0.786	20	30		CCEDRM
CC1(C)CC(=O)C=C(NC(=O)Cn2nn[n-]c2=S)C1	ZINC001177743946	842666188	/nfs/dbraw/zinc/66/61/88/842666188.db2.gz	ONXRXVMWGWWSDF-UHFFFAOYSA-N	-1	0	281.341	0.351	20	30		CCEDRM
N#C[C@H](Cc1cccs1)C(=O)NCc1nnn[n-]1	ZINC001177916738	842707301	/nfs/dbraw/zinc/70/73/01/842707301.db2.gz	ZPNJZKAUUGPEQA-ZETCQYMHSA-N	-1	0	262.298	0.260	20	30		CCEDRM
N#C[C@@H](Cc1cccs1)C(=O)NCc1n[nH]c(=O)[n-]1	ZINC001177914822	842708304	/nfs/dbraw/zinc/70/83/04/842708304.db2.gz	FAGKELFGKRGYRW-SSDOTTSWSA-N	-1	0	277.309	0.570	20	30		CCEDRM
C[C@@H](C(=O)NCc1nnn[n-]1)c1ccc(C#N)cc1	ZINC001182797753	843915525	/nfs/dbraw/zinc/91/55/25/843915525.db2.gz	GIAWVIVLYRFFQJ-MRVPVSSYSA-N	-1	0	256.269	0.491	20	30		CCEDRM
N#Cc1ccc(OCC(=O)N[C@H]2SC(=O)[N-]C2=O)cc1	ZINC001182916999	843938869	/nfs/dbraw/zinc/93/88/69/843938869.db2.gz	ODGOSBKYUNFRBK-NSHDSACASA-N	-1	0	291.288	0.362	20	30		CCEDRM
N#C[C@@H]1CNCCN1C(=O)Cc1ccc([S-])cc1	ZINC001183187645	843974044	/nfs/dbraw/zinc/97/40/44/843974044.db2.gz	KWJCNOHESBNICR-LLVKDONJSA-N	-1	0	261.350	0.842	20	30		CCEDRM
C=CCCC(=O)N1CC[C@H]2CN(Cc3n[nH]c(=O)[n-]3)C[C@H]21	ZINC001187232802	844673347	/nfs/dbraw/zinc/67/33/47/844673347.db2.gz	IYWHVUCQEBCWPA-WDEREUQCSA-N	-1	0	291.355	0.509	20	30		CCEDRM
Cc1oncc1S(=O)(=O)[N-]c1cnc(C#N)cn1	ZINC001187321085	844691508	/nfs/dbraw/zinc/69/15/08/844691508.db2.gz	AFOLZOJFUHUKFT-UHFFFAOYSA-N	-1	0	265.254	0.446	20	30		CCEDRM
Cc1cnc(C#N)c([N-]S(=O)(=O)c2c[nH]cn2)c1	ZINC001187730690	844753436	/nfs/dbraw/zinc/75/34/36/844753436.db2.gz	NHCMBLQHDRJWLV-UHFFFAOYSA-N	-1	0	263.282	0.786	20	30		CCEDRM
N#Cc1cnc2ccnn2c1[N-]S(=O)(=O)c1ccoc1	ZINC001188571154	844908766	/nfs/dbraw/zinc/90/87/66/844908766.db2.gz	VUIGZESHPHMIER-UHFFFAOYSA-N	-1	0	289.276	0.995	20	30		CCEDRM
COC(=O)n1ncc(C#N)c1NC(=O)c1ccncc1[O-]	ZINC001188637614	844941310	/nfs/dbraw/zinc/94/13/10/844941310.db2.gz	FOYPAGSJCSBYIH-UHFFFAOYSA-N	-1	0	287.235	0.722	20	30		CCEDRM
NC(=O)c1ccc(C(N)=NC(=O)c2ccncc2[O-])cc1	ZINC001188638951	844943546	/nfs/dbraw/zinc/94/35/46/844943546.db2.gz	PTKREVVYGLWNLD-UHFFFAOYSA-N	-1	0	284.275	0.432	20	30		CCEDRM
C#Cc1ccc(C(=O)NCC(=O)CCC(=O)[O-])cc1	ZINC001188742695	844965101	/nfs/dbraw/zinc/96/51/01/844965101.db2.gz	KJAHOTQKLWHZQP-UHFFFAOYSA-N	-1	0	259.261	0.832	20	30		CCEDRM
CC(=O)Nc1ccc(NC(=O)c2cn[nH]n2)cc1C#N	ZINC001189348036	845116091	/nfs/dbraw/zinc/11/60/91/845116091.db2.gz	JHTNXPVOLXWNEP-UHFFFAOYSA-N	-1	0	270.252	0.887	20	30		CCEDRM
Cn1nc(C(=O)Nc2cc(C#N)c(F)cc2[O-])ccc1=O	ZINC001189493151	845147734	/nfs/dbraw/zinc/14/77/34/845147734.db2.gz	NVGSGJVKJROXLZ-UHFFFAOYSA-N	-1	0	288.238	0.749	20	30		CCEDRM
Cc1cnc([N-]S(=O)(=O)c2ncc[nH]2)c(C#N)c1	ZINC001190690609	845467180	/nfs/dbraw/zinc/46/71/80/845467180.db2.gz	OFQVYAMAISYKIP-UHFFFAOYSA-N	-1	0	263.282	0.786	20	30		CCEDRM
C=CCC1(S(=O)(=O)N[C@@H]2SC(=O)[N-]C2=O)CC1	ZINC001190821940	845511456	/nfs/dbraw/zinc/51/14/56/845511456.db2.gz	BCDPKRGSMYAODA-SSDOTTSWSA-N	-1	0	276.339	0.324	20	30		CCEDRM
N#Cc1cnoc1[N-]S(=O)(=O)c1ccncc1	ZINC001190853846	845523690	/nfs/dbraw/zinc/52/36/90/845523690.db2.gz	BSIYSBRPJRQQMQ-UHFFFAOYSA-N	-1	0	250.239	0.742	20	30		CCEDRM
Cc1ncc(C(=O)N[C@H]2SC(=O)[N-]C2=O)cc1C#N	ZINC001192297041	845818913	/nfs/dbraw/zinc/81/89/13/845818913.db2.gz	RHNWFOOVBKITIC-JTQLQIEISA-N	-1	0	276.277	0.301	20	30		CCEDRM
N#CCS(=O)(=O)[N-]c1cnccc1N1CCCC1	ZINC001192951715	845933855	/nfs/dbraw/zinc/93/38/55/845933855.db2.gz	OTNAZVKOCISCOR-UHFFFAOYSA-N	-1	0	266.326	0.947	20	30		CCEDRM
COc1ccc([N-]S(=O)(=O)CC#N)c(OC)n1	ZINC001192934679	845940019	/nfs/dbraw/zinc/94/00/19/845940019.db2.gz	CCKPQPXHSMPITH-UHFFFAOYSA-N	-1	0	257.271	0.364	20	30		CCEDRM
Cc1sc([N-]S(=O)(=O)CC#N)c(C(N)=O)c1C	ZINC001192935509	845941821	/nfs/dbraw/zinc/94/18/21/845941821.db2.gz	VFKCAGGWTQTRDP-UHFFFAOYSA-N	-1	0	273.339	0.729	20	30		CCEDRM
N#CCS(=O)(=O)[N-]c1ccc(Cl)nc1C#N	ZINC001192935608	845942181	/nfs/dbraw/zinc/94/21/81/845942181.db2.gz	YHTZHIFLQPWINZ-UHFFFAOYSA-N	-1	0	256.674	0.872	20	30		CCEDRM
COc1nc(Cl)cnc1[N-]S(=O)(=O)CC#N	ZINC001192939472	845943435	/nfs/dbraw/zinc/94/34/35/845943435.db2.gz	QJLAEXDDPSZQGY-UHFFFAOYSA-N	-1	0	262.678	0.404	20	30		CCEDRM
COC(=O)Cc1ccc(O)c([N-]S(=O)(=O)CC#N)c1	ZINC001192978828	845961257	/nfs/dbraw/zinc/96/12/57/845961257.db2.gz	IOEOZVDOKYKCQN-UHFFFAOYSA-N	-1	0	284.293	0.373	20	30		CCEDRM
C[C@H](C#N)S(=O)(=O)[N-]c1ccc(S(C)(=O)=O)nc1	ZINC001193105477	845978364	/nfs/dbraw/zinc/97/83/64/845978364.db2.gz	XKIMPLZVDFPJHT-SSDOTTSWSA-N	-1	0	289.338	0.139	20	30		CCEDRM
COC(=O)c1cccc([N-]S(=O)(=O)[C@@H](C)C#N)n1	ZINC001193105877	845978755	/nfs/dbraw/zinc/97/87/55/845978755.db2.gz	FVZFFWIDQHIMAA-ZETCQYMHSA-N	-1	0	269.282	0.522	20	30		CCEDRM
C[C@@H](C#N)S(=O)(=O)[N-]c1nc(Cl)ccc1C(N)=O	ZINC001193104267	845978994	/nfs/dbraw/zinc/97/89/94/845978994.db2.gz	GXEFSTFEUMLSDA-YFKPBYRVSA-N	-1	0	288.716	0.488	20	30		CCEDRM
Cc1nc([N-]S(=O)(=O)[C@H](C)C#N)c(C#N)cc1C#N	ZINC001193105629	845979024	/nfs/dbraw/zinc/97/90/24/845979024.db2.gz	YXUGGKZXNASYRI-SSDOTTSWSA-N	-1	0	275.293	0.787	20	30		CCEDRM
C[C@@H](C#N)S(=O)(=O)[N-]c1c(F)cccc1CO	ZINC001193157132	846008864	/nfs/dbraw/zinc/00/88/64/846008864.db2.gz	BEZPFTNWGNWXOP-ZETCQYMHSA-N	-1	0	258.274	0.972	20	30		CCEDRM
COC(=O)c1cccc([N-]S(=O)(=O)[C@H](C)C#N)c1O	ZINC001193151875	846006447	/nfs/dbraw/zinc/00/64/47/846006447.db2.gz	VQTLHLVNQHPHIT-SSDOTTSWSA-N	-1	0	284.293	0.833	20	30		CCEDRM
COC(=O)c1cc([N-]S(=O)(=O)[C@H](C)C#N)ccc1C#N	ZINC001193157591	846007694	/nfs/dbraw/zinc/00/76/94/846007694.db2.gz	FOXIIWQVTXCFPE-MRVPVSSYSA-N	-1	0	293.304	0.999	20	30		CCEDRM
N#Cc1ncc([N-]S(=O)(=O)C[C@H]2CCCO2)cn1	ZINC001193209011	846019428	/nfs/dbraw/zinc/01/94/28/846019428.db2.gz	YLDXPSHDXWDOAH-SECBINFHSA-N	-1	0	268.298	0.269	20	30		CCEDRM
CCC(CO)(CO)NC(=O)c1ccc([O-])c(C#N)c1	ZINC001193512087	846101140	/nfs/dbraw/zinc/10/11/40/846101140.db2.gz	KCTFORPMUFFLOU-UHFFFAOYSA-N	-1	0	264.281	0.127	20	30		CCEDRM
CC(C)C[C@H](NC(=O)c1ccc([O-])c(C#N)c1)C(=O)NO	ZINC001193519058	846103287	/nfs/dbraw/zinc/10/32/87/846103287.db2.gz	OAQXHLHOBLJESS-NSHDSACASA-N	-1	0	291.307	0.914	20	30		CCEDRM
N#Cc1cc(C(=O)NC[C@H]2CNC(=O)C2)ccc1[O-]	ZINC001193515762	846103390	/nfs/dbraw/zinc/10/33/90/846103390.db2.gz	RPMRQCJBYZEUJO-MRVPVSSYSA-N	-1	0	259.265	0.130	20	30		CCEDRM
N#Cc1cccc(C(=O)N2CC[C@@H](O)[C@@H](CO)C2)c1[O-]	ZINC001193642771	846135458	/nfs/dbraw/zinc/13/54/58/846135458.db2.gz	PFZGJKQREGAUED-ZYHUDNBSSA-N	-1	0	276.292	0.079	20	30		CCEDRM
Cn1ccnc1S(=O)(=O)[N-]c1c(O)cccc1C#N	ZINC001193598672	846136712	/nfs/dbraw/zinc/13/67/12/846136712.db2.gz	SQTCBOCIDFGPTG-UHFFFAOYSA-N	-1	0	278.293	0.798	20	30		CCEDRM
N#C[C@@H]1CNCCN1C(=O)c1ccc(F)c([O-])c1F	ZINC001193767901	846155407	/nfs/dbraw/zinc/15/54/07/846155407.db2.gz	AUDMTPYRUKQKSG-SSDOTTSWSA-N	-1	0	267.235	0.608	20	30		CCEDRM
Cc1ccc(C(=O)N(O)C(=N)c2nonc2N)[nH]1	ZINC001193901311	846180583	/nfs/dbraw/zinc/18/05/83/846180583.db2.gz	RBYKPDNCNNGVLR-UHFFFAOYSA-N	-1	0	250.218	0.145	20	30		CCEDRM
Cn1[n-]c(C(=O)NC2(C#N)Cc3ccccc3C2)cc1=O	ZINC001194210608	846242529	/nfs/dbraw/zinc/24/25/29/846242529.db2.gz	DBJBAKIQWOILLC-UHFFFAOYSA-N	-1	0	282.303	0.917	20	30		CCEDRM
C=CC[C@@](C)(NC(=O)c1cc(=O)n(C)[n-]1)C(=O)OC	ZINC001194210534	846242605	/nfs/dbraw/zinc/24/26/05/846242605.db2.gz	AWFKVQKLFARXDM-GFCCVEGCSA-N	-1	0	267.285	0.363	20	30		CCEDRM
Cc1cc(C#N)cc(C(=O)Nc2c(N)[nH]c(=O)[nH]c2=O)c1	ZINC001195408871	846525128	/nfs/dbraw/zinc/52/51/28/846525128.db2.gz	BOAROVLILMTQJW-UHFFFAOYSA-N	-1	0	285.263	0.902	20	30		CCEDRM
COc1ccc(S(=O)(=O)[N-]c2ncn(C)c2C#N)cn1	ZINC001195694500	846604422	/nfs/dbraw/zinc/60/44/22/846604422.db2.gz	BFUUBFUFGYYFDP-UHFFFAOYSA-N	-1	0	293.308	0.496	20	30		CCEDRM
N#Cc1ccc(C(=O)NC2CN(C3COC3)C2)c([O-])c1	ZINC001195768760	846615755	/nfs/dbraw/zinc/61/57/55/846615755.db2.gz	QIYOBKZIAKGZQH-UHFFFAOYSA-N	-1	0	273.292	0.077	20	30		CCEDRM
Cn1ccnc1CCNC(=O)c1ccc(C#N)cc1[O-]	ZINC001195768687	846615914	/nfs/dbraw/zinc/61/59/14/846615914.db2.gz	PQIQKJPDOCXGKU-UHFFFAOYSA-N	-1	0	270.292	0.970	20	30		CCEDRM
CCOc1cc(N)n(C(=O)c2ccc(C#N)cc2[O-])c(=N)n1	ZINC001195740746	846619841	/nfs/dbraw/zinc/61/98/41/846619841.db2.gz	LCPIWNHVBGVEPN-UHFFFAOYSA-N	-1	0	299.290	0.609	20	30		CCEDRM
CCOC(=O)CS(=O)(=O)[N-]c1onc(C)c1C#N	ZINC001195930601	846652039	/nfs/dbraw/zinc/65/20/39/846652039.db2.gz	JNBZDHUIOZFVEB-UHFFFAOYSA-N	-1	0	273.270	0.160	20	30		CCEDRM
N#C[C@@H](NC(=O)c1cc(Cl)c(F)cc1[O-])C(N)=O	ZINC001196477946	846753280	/nfs/dbraw/zinc/75/32/80/846753280.db2.gz	KLYKJOMIJNVPCZ-SSDOTTSWSA-N	-1	0	271.635	0.292	20	30		CCEDRM
N#Cc1cccc(-c2cc(C(=O)NCc3nnn[n-]3)no2)c1	ZINC001196770705	846804297	/nfs/dbraw/zinc/80/42/97/846804297.db2.gz	HJXNYNIJNBBXCL-UHFFFAOYSA-N	-1	0	295.262	0.656	20	30		CCEDRM
Cn1ncc([N-]S(=O)(=O)Cc2ccccn2)c1C#N	ZINC001197788729	846964725	/nfs/dbraw/zinc/96/47/25/846964725.db2.gz	FIPMYEMRBPPLRS-UHFFFAOYSA-N	-1	0	277.309	0.629	20	30		CCEDRM
Cc1ccnc(S(=O)(=O)[N-]c2cn(C)nc2C#N)c1	ZINC001197964717	847010809	/nfs/dbraw/zinc/01/08/09/847010809.db2.gz	KEEHZTJWCPELOW-UHFFFAOYSA-N	-1	0	277.309	0.796	20	30		CCEDRM
Cc1ccnc(S(=O)(=O)[N-]c2cncc(C#N)n2)c1	ZINC001197963150	847010933	/nfs/dbraw/zinc/01/09/33/847010933.db2.gz	KZIKALRGPKHOIL-UHFFFAOYSA-N	-1	0	275.293	0.853	20	30		CCEDRM
Cc1ncc(S(=O)(=O)[N-]c2c(C#N)ncn2C)n1C	ZINC001198360733	847103814	/nfs/dbraw/zinc/10/38/14/847103814.db2.gz	DINOVRPOSHKEFZ-UHFFFAOYSA-N	-1	0	280.313	0.135	20	30		CCEDRM
N#C[C@@H]1COCCN1S(=O)(=O)c1ccccc1C(=O)[O-]	ZINC001198766237	847163346	/nfs/dbraw/zinc/16/33/46/847163346.db2.gz	GDAJATRBSATKLZ-SECBINFHSA-N	-1	0	296.304	0.298	20	30		CCEDRM
O=C([O-])c1ccccc1S(=O)(=O)NCCCS	ZINC001198810010	847177195	/nfs/dbraw/zinc/17/71/95/847177195.db2.gz	KRXKQKOMQHJMNP-UHFFFAOYSA-N	-1	0	275.351	0.983	20	30		CCEDRM
C=CCOC[C@H](CS(=O)(=O)[O-])OCC(=O)OC(C)C	ZINC001205886854	847599883	/nfs/dbraw/zinc/59/98/83/847599883.db2.gz	NCMKZCWZTOWDKQ-SNVBAGLBSA-N	-1	0	296.341	0.414	20	30		CCEDRM
COC(=O)CCCS(=O)(=O)[N-]c1cnccc1C#N	ZINC001201905262	847832751	/nfs/dbraw/zinc/83/27/51/847832751.db2.gz	MSBPKFLWLNZILH-UHFFFAOYSA-N	-1	0	283.309	0.648	20	30		CCEDRM
C=CCC1(O)CCN(C(=O)N[C@H]2C[C@@H](C(=O)[O-])C2)CC1	ZINC000717252543	848182987	/nfs/dbraw/zinc/18/29/87/848182987.db2.gz	ZNECTOXEFFNIMN-PHIMTYICSA-N	-1	0	282.340	0.962	20	30		CCEDRM
C#CC[C@@H](CO)[N-]S(=O)(=O)c1c(F)cc(F)cc1F	ZINC000717800406	848395195	/nfs/dbraw/zinc/39/51/95/848395195.db2.gz	GCWIJGAQWQQUQH-QMMMGPOBSA-N	-1	0	293.266	0.766	20	30		CCEDRM
C=C[C@@H](CO)NS(=O)(=O)c1cnccc1Cl	ZINC000718133073	848577962	/nfs/dbraw/zinc/57/79/62/848577962.db2.gz	DXMHDWYPRSXBGL-ZETCQYMHSA-N	-1	0	262.718	0.560	20	30		CCEDRM
C=C[C@@H](O)CNc1ccc(C(=O)NCC(=O)[O-])cc1	ZINC001253596551	849600916	/nfs/dbraw/zinc/60/09/16/849600916.db2.gz	SMZWRDSQYOUFLW-LLVKDONJSA-N	-1	0	264.281	0.460	20	30		CCEDRM
Cc1[nH]nc([N-]S(=O)(=O)CC2(F)CC2)c1C#N	ZINC000903618462	852301030	/nfs/dbraw/zinc/30/10/30/852301030.db2.gz	LJXSWAHGXJYSRU-UHFFFAOYSA-N	-1	0	258.278	0.834	20	30		CCEDRM
C=CCN1CC2(C1)CN(C(=O)c1n[nH]c(C)c1[O-])CCO2	ZINC001053226433	852714369	/nfs/dbraw/zinc/71/43/69/852714369.db2.gz	UOUITRDUHNAPKK-UHFFFAOYSA-N	-1	0	292.339	0.137	20	30		CCEDRM
C=CC(C)(C)C(=O)N1C[C@@H](C)[C@@H]([NH2+]Cc2n[nH]c(=O)[n-]2)C1	ZINC001054976673	853047318	/nfs/dbraw/zinc/04/73/18/853047318.db2.gz	OEJGHZJGJZADLM-ZJUUUORDSA-N	-1	0	293.371	0.659	20	30		CCEDRM
C#CC[C@@H](NC(=O)CN(C)c1ccc(Cl)cn1)C(=O)[O-]	ZINC000149553157	853986510	/nfs/dbraw/zinc/98/65/10/853986510.db2.gz	OIMWZJCNPLUHMC-SNVBAGLBSA-N	-1	0	295.726	0.764	20	30		CCEDRM
C#CC[C@@H](NC(=O)c1cccc(OC)c1OC)C(=O)[O-]	ZINC000149549343	853986966	/nfs/dbraw/zinc/98/69/66/853986966.db2.gz	PTVIEEXGWRFASE-SNVBAGLBSA-N	-1	0	277.276	0.910	20	30		CCEDRM
C#CC[C@H](NC(=O)CCNC(=O)c1cccs1)C(=O)[O-]	ZINC000149581089	853989201	/nfs/dbraw/zinc/98/92/01/853989201.db2.gz	OVGMBZWVXSZNLD-VIFPVBQESA-N	-1	0	294.332	0.461	20	30		CCEDRM
C#CC[C@@H](NC(=O)Cc1ccccc1OC)C(=O)[O-]	ZINC000149775176	853997265	/nfs/dbraw/zinc/99/72/65/853997265.db2.gz	IXJUIABLZQHYNL-LLVKDONJSA-N	-1	0	261.277	0.830	20	30		CCEDRM
C#CC[C@@H](NC(=O)COc1cccc(C)c1)C(=O)[O-]	ZINC000149799572	853998247	/nfs/dbraw/zinc/99/82/47/853998247.db2.gz	TZKXVZUUKGWLEE-GFCCVEGCSA-N	-1	0	261.277	0.967	20	30		CCEDRM
C#CC[C@H](NC(=O)[C@H]1OCCc2ccccc21)C(=O)[O-]	ZINC000149979273	854011087	/nfs/dbraw/zinc/01/10/87/854011087.db2.gz	ZICKTNJITRCMOO-STQMWFEESA-N	-1	0	273.288	0.893	20	30		CCEDRM
CC(N=Nc1ccc(C(=O)[O-])cn1)[C@@H]1COCCO1	ZINC001116414718	855762483	/nfs/dbraw/zinc/76/24/83/855762483.db2.gz	XMGFTOICODAXOE-JTQLQIEISA-N	-1	0	265.269	0.983	20	30		CCEDRM
C=CC[C@@H](NC(=O)c1c(OC)ncnc1OC)C(=O)[O-]	ZINC001116922691	855868173	/nfs/dbraw/zinc/86/81/73/855868173.db2.gz	YIIKTVRTIJVCLV-SSDOTTSWSA-N	-1	0	281.268	0.253	20	30		CCEDRM
C=C[C@@H](C)O[N-]C(=O)C(=O)Nc1ccnc(COC)n1	ZINC001118488886	856314491	/nfs/dbraw/zinc/31/44/91/856314491.db2.gz	AVKBFSFTNSPCKB-MRVPVSSYSA-N	-1	0	280.284	0.184	20	30		CCEDRM
C=CC1(S(=O)(=O)[N-]C(=O)c2conc2COC)CC1	ZINC001118994782	856522772	/nfs/dbraw/zinc/52/27/72/856522772.db2.gz	VUKKBCKQENJTIN-UHFFFAOYSA-N	-1	0	286.309	0.599	20	30		CCEDRM
C#CCCCCNC(=O)C(=O)NCCCCC(=O)[O-]	ZINC001119391365	856665874	/nfs/dbraw/zinc/66/58/74/856665874.db2.gz	CRSUHKMDFDYJRP-UHFFFAOYSA-N	-1	0	268.313	0.277	20	30		CCEDRM
C=CCC1(C(=O)N2CC[C@@](O)(C(=O)[O-])C2)CCOCC1	ZINC001119585448	856756037	/nfs/dbraw/zinc/75/60/37/856756037.db2.gz	ONMRRTALPNVELF-AWEZNQCLSA-N	-1	0	283.324	0.407	20	30		CCEDRM
COC[C@@](C)(C#N)NC(=O)Cc1cc(=O)n(CC(C)C)[n-]1	ZINC001119961344	856936660	/nfs/dbraw/zinc/93/66/60/856936660.db2.gz	CDOLCUAEQZGWCJ-CQSZACIVSA-N	-1	0	294.355	0.420	20	30		CCEDRM
C=CCCO[C@H](C)C(=O)N1CC[C@H](c2nnn[n-]2)C1	ZINC001347196565	891549944	/nfs/dbraw/zinc/54/99/44/891549944.db2.gz	FPHNSVRGLXTRNU-ZJUUUORDSA-N	-1	0	265.317	0.497	20	30		CCEDRM
Cn1c(=O)[n-]c(Oc2ccc(C#N)cc2F)c(C#N)c1=O	ZINC001364202794	893997162	/nfs/dbraw/zinc/99/71/62/893997162.db2.gz	ZITAONKGZPCHDH-UHFFFAOYSA-N	-1	0	286.222	0.748	20	30		CCEDRM
C[C@H](CNCC#N)NC(=O)c1ccc2oc(=O)nc-2[n-]1	ZINC001483184022	895073824	/nfs/dbraw/zinc/07/38/24/895073824.db2.gz	VANQHXPZIGYEKK-SSDOTTSWSA-N	-1	0	275.268	0.160	20	30		CCEDRM
CCOc1ccc(C(=O)N[C@@H]2CCCN(O)C2=O)cn1	ZINC001326761998	914147920	/nfs/dbraw/zinc/14/79/20/914147920.db2.gz	AJAUDHSGWZDFCJ-SNVBAGLBSA-N	-1	0	279.296	0.590	20	30		CCEDRM
C=CCCn1cc(CN[C@H](C(=O)[O-])c2ccnn2C)nn1	ZINC001327019373	914317072	/nfs/dbraw/zinc/31/70/72/914317072.db2.gz	XRTXTLZSMVHDKT-LBPRGKRZSA-N	-1	0	290.327	0.503	20	30		CCEDRM
C[C@H](C#N)S(=O)(=O)[N-]c1ccn2cnnc2c1	ZINC001193106579	900031697	/nfs/dbraw/zinc/03/16/97/900031697.db2.gz	HFNGYBGNCNZHPR-SSDOTTSWSA-N	-1	0	251.271	0.383	20	30		CCEDRM
CCOc1cnc([N-]S(=O)(=O)[C@@H](C)C#N)cn1	ZINC001193106238	900031759	/nfs/dbraw/zinc/03/17/59/900031759.db2.gz	DZFHZPYZPMBPCY-ZETCQYMHSA-N	-1	0	256.287	0.529	20	30		CCEDRM
COC(=O)c1cc([N-]S(=O)(=O)[C@H](C)C#N)cnc1OC	ZINC001193110744	900032821	/nfs/dbraw/zinc/03/28/21/900032821.db2.gz	BSATWBTWAPXEGH-SSDOTTSWSA-N	-1	0	299.308	0.531	20	30		CCEDRM
C=C(C)CO[N-]C(=O)C(=O)Nc1ccnc(C)n1	ZINC001327324446	914480596	/nfs/dbraw/zinc/48/05/96/914480596.db2.gz	MMDOBNYULOBFEY-UHFFFAOYSA-N	-1	0	250.258	0.347	20	30		CCEDRM
N#Cc1cn(CCC(=O)NCc2ccccc2)c(=O)[n-]c1=O	ZINC001411611237	901153596	/nfs/dbraw/zinc/15/35/96/901153596.db2.gz	PQXYXUGMNICIQI-UHFFFAOYSA-N	-1	0	298.302	0.527	20	30		CCEDRM
N#C[C@H](CCc1ccccc1)C(=O)NCc1n[nH]c(=O)[n-]1	ZINC001411888738	901307790	/nfs/dbraw/zinc/30/77/90/901307790.db2.gz	RTBXIWHIRIMPQJ-NSHDSACASA-N	-1	0	285.307	0.899	20	30		CCEDRM
C[C@@H](C#N)CN(C(=O)CCCn1c(=O)[n-][nH]c1=O)C1CC1	ZINC001411973976	901368803	/nfs/dbraw/zinc/36/88/03/901368803.db2.gz	IMDWABXUISIVLJ-VIFPVBQESA-N	-1	0	293.327	0.620	20	30		CCEDRM
CN(C)c1ncccc1C(=O)Nc1nc(C#N)c(C#N)[n-]1	ZINC001412291714	901625137	/nfs/dbraw/zinc/62/51/37/901625137.db2.gz	LLMNKWMTSLUTDX-UHFFFAOYSA-N	-1	0	281.279	0.866	20	30		CCEDRM
N#Cc1csc(C(=O)N2CCOC[C@@H]2c2nnn[n-]2)c1	ZINC001412434176	901721153	/nfs/dbraw/zinc/72/11/53/901721153.db2.gz	UTNSMUVIQFDIKA-MRVPVSSYSA-N	-1	0	290.308	0.347	20	30		CCEDRM
N#C[C@H]1CSCCN1C(=O)CSc1n[nH]c(=O)[n-]1	ZINC001412745672	902015545	/nfs/dbraw/zinc/01/55/45/902015545.db2.gz	SQPSBXIMXSULCQ-LURJTMIESA-N	-1	0	285.354	0.070	20	30		CCEDRM
Cn1c(=O)[n-]c(N2CC[C@H]3[C@@H](C2)C3(F)F)c(C#N)c1=O	ZINC001412883267	902327974	/nfs/dbraw/zinc/32/79/74/902327974.db2.gz	DSSDEICZJADPML-JGVFFNPUSA-N	-1	0	282.250	0.037	20	30		CCEDRM
Cc1noc(C[N-]S(=O)(=O)c2ccsc2C#N)n1	ZINC001413352381	902899419	/nfs/dbraw/zinc/89/94/19/902899419.db2.gz	YMJMFQBVBGNMDB-UHFFFAOYSA-N	-1	0	284.322	0.790	20	30		CCEDRM
N#C[C@@H](NC(=O)Cn1c(=O)[n-][nH]c1=O)c1ccc(F)cc1	ZINC001290517653	906126954	/nfs/dbraw/zinc/12/69/54/906126954.db2.gz	YPMKGQGYEQSNFC-SECBINFHSA-N	-1	0	291.242	0.209	20	30		CCEDRM
COC(=O)CN(CC#N)C(=O)c1[n-]c(=O)c(C#N)cc1C	ZINC001293846792	906519635	/nfs/dbraw/zinc/51/96/35/906519635.db2.gz	UAOQXUXGYAXOLY-UHFFFAOYSA-N	-1	0	288.263	0.106	20	30		CCEDRM
CSC(C)(C)CNc1[n-]c(=O)n(C)c(=O)c1C#N	ZINC001337875543	921300764	/nfs/dbraw/zinc/30/07/64/921300764.db2.gz	PGVFCHQCBBPZNE-UHFFFAOYSA-N	-1	0	268.342	0.499	20	30		CCEDRM
N#Cc1cccc(O[N-]C(=O)c2cc(=O)[nH]cn2)c1	ZINC001302373279	908018700	/nfs/dbraw/zinc/01/87/00/908018700.db2.gz	DHHSNGYCPJBQCL-UHFFFAOYSA-N	-1	0	256.221	0.778	20	30		CCEDRM
N#Cc1nn(CCC[N-]C(=O)C(F)(F)F)cc1[N+](=O)[O-]	ZINC001307375218	908309246	/nfs/dbraw/zinc/30/92/46/908309246.db2.gz	GLMHMNIPGLIQAY-UHFFFAOYSA-N	-1	0	291.189	0.732	20	30		CCEDRM
C=C(C)CONC(=O)CC[C@@H]1C[C@H](C(=O)[O-])CO1	ZINC001588573421	983652515	/nfs/dbraw/zinc/65/25/15/983652515.db2.gz	KGAAILHMEXWZBO-VHSXEESVSA-N	-1	0	257.286	0.880	20	30		CCEDRM
Cc1ncsc1C=Nn1c(=O)c(C)n[n-]c1=S	ZINC001318764253	909882793	/nfs/dbraw/zinc/88/27/93/909882793.db2.gz	GWNVSJFAXYQNPV-UHFFFAOYSA-N	-1	0	267.339	0.883	20	30		CCEDRM
C=CC[C@H](NC(=O)NCCCc1nc(C)no1)C(=O)[O-]	ZINC001321110536	911092465	/nfs/dbraw/zinc/09/24/65/911092465.db2.gz	NBSRPYFBEAYPAN-VIFPVBQESA-N	-1	0	282.300	0.639	20	30		CCEDRM
C=CC[C@H](NC(=O)c1cccn(C)c1=O)C(=O)[O-]	ZINC001321206117	911160303	/nfs/dbraw/zinc/16/03/03/911160303.db2.gz	GHYWAXXPWVHDJR-VIFPVBQESA-N	-1	0	250.254	0.144	20	30		CCEDRM
C#CCNC(=O)C1CCN(C(=O)c2n[nH]c(C)c2[O-])CC1	ZINC001321258035	911197868	/nfs/dbraw/zinc/19/78/68/911197868.db2.gz	MLYQLKAFAKBHGB-UHFFFAOYSA-N	-1	0	290.323	0.025	20	30		CCEDRM
CS(=O)(=O)[N-]c1ccc(C(=O)NCCC#N)cn1	ZINC001329042161	915617194	/nfs/dbraw/zinc/61/71/94/915617194.db2.gz	ULINQPTVTOPCCZ-UHFFFAOYSA-N	-1	0	268.298	0.097	20	30		CCEDRM
C=CCCO[N-]C(=O)Cn1ccc(=O)c([N+](=O)[O-])c1	ZINC001329416650	915897126	/nfs/dbraw/zinc/89/71/26/915897126.db2.gz	MWQZFQWPOIUKKS-UHFFFAOYSA-N	-1	0	267.241	0.380	20	30		CCEDRM
C#CCSCC(=O)[N-]S(=O)(=O)CCOC(C)(C)C	ZINC001331482905	917365836	/nfs/dbraw/zinc/36/58/36/917365836.db2.gz	JMCSJBAUIABBLM-UHFFFAOYSA-N	-1	0	293.410	0.614	20	30		CCEDRM
C=CCCCNC(=O)C(=O)NCCCCC(=O)[O-]	ZINC001331508104	917380961	/nfs/dbraw/zinc/38/09/61/917380961.db2.gz	FNYJPCUBICFUMJ-UHFFFAOYSA-N	-1	0	256.302	0.440	20	30		CCEDRM
C=C[C@H](COC)[N-]S(=O)(=O)c1occc1C(=O)OC	ZINC001331988093	917783520	/nfs/dbraw/zinc/78/35/20/917783520.db2.gz	YYKUAKHOBYBMLC-MRVPVSSYSA-N	-1	0	289.309	0.546	20	30		CCEDRM
C=CC[C@H](CC)NC(=O)C(=O)N[C@H]1C[C@@H](C(=O)[O-])C1	ZINC001332150390	917906939	/nfs/dbraw/zinc/90/69/39/917906939.db2.gz	HQGPHBOPCPIFEP-LPEHRKFASA-N	-1	0	268.313	0.437	20	30		CCEDRM
CSc1[n-]c(=O)c(C(=O)N2CC=C[C@H]2CO)cc1C#N	ZINC001332783932	918437513	/nfs/dbraw/zinc/43/75/13/918437513.db2.gz	PZFFFNNBJPGKAS-VIFPVBQESA-N	-1	0	291.332	0.754	20	30		CCEDRM
C=CC[C@H](NC(=O)CCCn1cncn1)C(=O)[O-]	ZINC001334165173	919393940	/nfs/dbraw/zinc/39/39/40/919393940.db2.gz	ZEHVKPSVQDBDQI-VIFPVBQESA-N	-1	0	252.274	0.204	20	30		CCEDRM
C=C(C)C[C@H](NC(=O)[C@H](C)N1CCN(C)CC1)C(=O)[O-]	ZINC001334204832	919426343	/nfs/dbraw/zinc/42/63/43/919426343.db2.gz	GHCXBVDKQINVES-RYUDHWBXSA-N	-1	0	283.372	0.158	20	30		CCEDRM
C=CC[C@H](NC(=O)N[C@H](C)[C@H]1CN(C)CCO1)C(=O)[O-]	ZINC001334449589	919593711	/nfs/dbraw/zinc/59/37/11/919593711.db2.gz	UMHWYVLNVOHXND-OUAUKWLOSA-N	-1	0	285.344	0.034	20	30		CCEDRM
Cn1c(=O)[n-]c(N2C[C@@H]3CC=CC[C@@H]3C2)c(C#N)c1=O	ZINC001336705303	920939798	/nfs/dbraw/zinc/93/97/98/920939798.db2.gz	FZASTKHRSCDWFG-AOOOYVTPSA-N	-1	0	272.308	0.348	20	30		CCEDRM
C=C(C)CCC(=O)N1CCN([C@@]2(C(=O)[O-])CCOC2)CC1	ZINC001336884553	921082715	/nfs/dbraw/zinc/08/27/15/921082715.db2.gz	VMDGLIFQIKCXCE-HNNXBMFYSA-N	-1	0	296.367	0.731	20	30		CCEDRM
Cn1c(=O)[n-]c(NCCC2CC=CC2)c(C#N)c1=O	ZINC001339831018	921843466	/nfs/dbraw/zinc/84/34/66/921843466.db2.gz	XERVMHAQQDAUSM-UHFFFAOYSA-N	-1	0	260.297	0.713	20	30		CCEDRM
C=CC(C)(C)CCNC(=O)N1CCN(C(=O)C(=O)[O-])CC1	ZINC001339928074	921881224	/nfs/dbraw/zinc/88/12/24/921881224.db2.gz	XJKNSTHARQBVAW-UHFFFAOYSA-N	-1	0	297.355	0.527	20	30		CCEDRM
Cc1cc(C#N)cnc1C(=O)N(C)Cc1nc(=O)o[n-]1	ZINC001418189256	921883194	/nfs/dbraw/zinc/88/31/94/921883194.db2.gz	YEAPFUDVZBYMJU-UHFFFAOYSA-N	-1	0	273.252	0.210	20	30		CCEDRM
CN(Cc1nc(=O)o[n-]1)C(=O)COc1ccc(C#N)cc1	ZINC001418189140	921884707	/nfs/dbraw/zinc/88/47/07/921884707.db2.gz	VPXZOOCJCRGECD-UHFFFAOYSA-N	-1	0	288.263	0.272	20	30		CCEDRM
Cc1ncc(C([O-])=C(C#N)C(=O)NC2CC2)c(C)n1	ZINC001341803431	922681796	/nfs/dbraw/zinc/68/17/96/922681796.db2.gz	XMWCAUIHADEXQF-SNVBAGLBSA-N	-1	0	258.281	0.695	20	30		CCEDRM
N#CC(C(=O)N1CCCC1)=C([O-])c1coc(C(N)=O)c1	ZINC001341915830	922720827	/nfs/dbraw/zinc/72/08/27/922720827.db2.gz	SHGKRIWFRYURLK-VIFPVBQESA-N	-1	0	275.264	0.323	20	30		CCEDRM
CN(C)c1cnc(C([O-])=C(C#N)c2nccn2C)cn1	ZINC001342268875	922885049	/nfs/dbraw/zinc/88/50/49/922885049.db2.gz	QWVLOKGFWOEDDL-SECBINFHSA-N	-1	0	270.296	0.766	20	30		CCEDRM
CCCC[C@H](ON=C(C)C)C(=O)NCc1nc(=O)o[n-]1	ZINC001342423127	922954868	/nfs/dbraw/zinc/95/48/68/922954868.db2.gz	AZCRJYDJZSKDKT-VIFPVBQESA-N	-1	0	284.316	0.950	20	30		CCEDRM
Cn1ccnc1C(=O)C(C#N)=C([O-])c1cnn(CCF)c1	ZINC001342690732	923055140	/nfs/dbraw/zinc/05/51/40/923055140.db2.gz	DNBCXRWTSQJFMS-JTQLQIEISA-N	-1	0	289.270	0.791	20	30		CCEDRM
C=CCN(C)c1nnc(-c2cc(=O)n(C)[n-]2)n1CCOC	ZINC001343074683	923191324	/nfs/dbraw/zinc/19/13/24/923191324.db2.gz	YQZLREBOQKBSQI-UHFFFAOYSA-N	-1	0	292.343	0.653	20	30		CCEDRM
CCOc1ccc(C([O-])=C(C#N)C(=O)NCCOC)cn1	ZINC001343456048	923321883	/nfs/dbraw/zinc/32/18/83/923321883.db2.gz	MODBWXAALRDWLP-LLVKDONJSA-N	-1	0	291.307	0.565	20	30		CCEDRM
CC(=O)NCc1ccc(C([O-])=C(C#N)C(=O)NC2CC2)cc1	ZINC001343982188	923522456	/nfs/dbraw/zinc/52/24/56/923522456.db2.gz	GUPSPMNKFLKQFY-CQSZACIVSA-N	-1	0	299.330	0.924	20	30		CCEDRM
C#CC[C@H](NC(=O)[C@@H]1CCOC(C)(C)C1)C(=O)[O-]	ZINC001344537036	923628741	/nfs/dbraw/zinc/62/87/41/923628741.db2.gz	WODFBCNNNOGWMV-ZJUUUORDSA-N	-1	0	253.298	0.784	20	30		CCEDRM
CCCCC1(NC(=O)Cn2cc(C#N)c(=O)[n-]c2=O)CC1	ZINC001420522903	923742563	/nfs/dbraw/zinc/74/25/63/923742563.db2.gz	PNMYVALEDOKTIJ-UHFFFAOYSA-N	-1	0	290.323	0.660	20	30		CCEDRM
N#CC1(C(=O)NC[C@@H](C(=O)[O-])[C@H]2CCOC2)CCC1	ZINC001345171224	923821417	/nfs/dbraw/zinc/82/14/17/923821417.db2.gz	PFMVNNFTFYKXAR-VHSXEESVSA-N	-1	0	266.297	0.534	20	30		CCEDRM
Cn1c(=O)[n-]c(N[C@H](c2ncccn2)C2CC2)c(C#N)c1=O	ZINC001421269654	924243828	/nfs/dbraw/zinc/24/38/28/924243828.db2.gz	WHPZVFBAOGSNGX-JTQLQIEISA-N	-1	0	298.306	0.298	20	30		CCEDRM
C#C[C@@H](C)N(C)c1nnc(-c2cc(=O)[nH][n-]2)n1CC(=C)C	ZINC001346514793	924245874	/nfs/dbraw/zinc/24/58/74/924245874.db2.gz	IFPMMFJTTYXYKX-SNVBAGLBSA-N	-1	0	286.339	0.536	20	30		CCEDRM
C=CCCO[C@@H](C)C(=O)N1CC[C@@H](c2nnn[n-]2)C1	ZINC001347196563	924395876	/nfs/dbraw/zinc/39/58/76/924395876.db2.gz	FPHNSVRGLXTRNU-VHSXEESVSA-N	-1	0	265.317	0.497	20	30		CCEDRM
C=C(C)CO[N-]C(=O)Cc1n[nH]c(C2CCOCC2)n1	ZINC001347205856	924398524	/nfs/dbraw/zinc/39/85/24/924398524.db2.gz	OLRBSEDZUJHQON-UHFFFAOYSA-N	-1	0	280.328	0.865	20	30		CCEDRM
C=C(C)CO[N-]C(=O)C(=O)Nc1nc2c(s1)COCC2	ZINC001349572097	924991127	/nfs/dbraw/zinc/99/11/27/924991127.db2.gz	GGJSGURWJLMCNZ-UHFFFAOYSA-N	-1	0	297.336	0.778	20	30		CCEDRM
C=C(C)CO[N-]C(=O)C(=O)Nc1ncc(COC)s1	ZINC001349574733	924991338	/nfs/dbraw/zinc/99/13/38/924991338.db2.gz	WOSGOUUUSYVASK-UHFFFAOYSA-N	-1	0	285.325	0.852	20	30		CCEDRM
C=CC[C@H](NC(=O)[C@@H]1CCn2cncc2C1)C(=O)[O-]	ZINC001350768389	925274350	/nfs/dbraw/zinc/27/43/50/925274350.db2.gz	LSBNMNVXWWUQNS-KOLCDFICSA-N	-1	0	263.297	0.591	20	30		CCEDRM
C#CC[C@@H](NC(=O)CCc1cn(C)nc1C)C(=O)[O-]	ZINC001350779146	925276483	/nfs/dbraw/zinc/27/64/83/925276483.db2.gz	XRBUGZHPFFYACX-LLVKDONJSA-N	-1	0	263.297	0.254	20	30		CCEDRM
C=CC[C@H](NC(=O)c1ccn(C2CCOCC2)n1)C(=O)[O-]	ZINC001351728993	925462681	/nfs/dbraw/zinc/46/26/81/925462681.db2.gz	KWJVYBAVFBOQBA-LBPRGKRZSA-N	-1	0	293.323	0.994	20	30		CCEDRM
C=CCOC[C@@H](NCc1nccn1C1CC1)C(=O)[O-]	ZINC001352817407	925649004	/nfs/dbraw/zinc/64/90/04/925649004.db2.gz	BPRJMLLEDSCJRK-LLVKDONJSA-N	-1	0	265.313	0.963	20	30		CCEDRM
C=C[C@@H](C)ONC(=O)c1cccc(-n2[n-]nnc2=N)c1	ZINC001300213568	925744846	/nfs/dbraw/zinc/74/48/46/925744846.db2.gz	RHLMZAAWFHHJKB-MRVPVSSYSA-N	-1	0	274.284	0.311	20	30		CCEDRM
CN(C[C@@H](O)c1cccc(C#N)c1)C(=O)c1n[nH]c(=O)[n-]1	ZINC001413859232	925839841	/nfs/dbraw/zinc/83/98/41/925839841.db2.gz	SVOFHBMWIKBCRY-SNVBAGLBSA-N	-1	0	287.279	0.188	20	30		CCEDRM
C=C1CCC(C(=O)[N-]S(=O)(=O)c2cc[nH]n2)CC1	ZINC001353518070	925860521	/nfs/dbraw/zinc/86/05/21/925860521.db2.gz	NQWUCONJVYRRFE-UHFFFAOYSA-N	-1	0	269.326	0.961	20	30		CCEDRM
N#CC1(NC(=O)c2c[n-]ncc2=O)CCSCC1	ZINC001353620605	925887836	/nfs/dbraw/zinc/88/78/36/925887836.db2.gz	LOHZYRAOROFCOB-UHFFFAOYSA-N	-1	0	264.310	0.701	20	30		CCEDRM
C=C(C)CCC(=O)N1CC(n2cc(C#N)c(=O)[n-]c2=O)C1	ZINC001353949371	925971983	/nfs/dbraw/zinc/97/19/83/925971983.db2.gz	COQNEEWHNXWJDH-UHFFFAOYSA-N	-1	0	288.307	0.560	20	30		CCEDRM
CC(C)(C)n1nnc(C([O-])=C(C#N)c2ccncn2)n1	ZINC001357689617	926587211	/nfs/dbraw/zinc/58/72/11/926587211.db2.gz	NYJSAFZTHFYINS-QMMMGPOBSA-N	-1	0	271.284	0.708	20	30		CCEDRM
N#Cc1ccc(C(=O)N[C@H]2CCCN(O)C2=O)c(F)c1	ZINC001358265658	926663136	/nfs/dbraw/zinc/66/31/36/926663136.db2.gz	UJJCXEHYKYSSCV-NSHDSACASA-N	-1	0	277.255	0.807	20	30		CCEDRM
Cc1ccc(C)c(NC(=O)Cn2c(=O)[n-]cc(C#N)c2=O)c1	ZINC001421405541	926732331	/nfs/dbraw/zinc/73/23/31/926732331.db2.gz	ACNPIFHDJNUBBD-UHFFFAOYSA-N	-1	0	298.302	0.664	20	30		CCEDRM
C=CC[C@H](NC(=O)COc1cc(C)on1)C(=O)[O-]	ZINC000150089168	926947654	/nfs/dbraw/zinc/94/76/54/926947654.db2.gz	IMGLMNAMETXBLV-QMMMGPOBSA-N	-1	0	254.242	0.507	20	30		CCEDRM
N#CC1CCN(C(=O)c2cccc(-n3[n-]nnc3=N)c2)CC1	ZINC001361866670	927404255	/nfs/dbraw/zinc/40/42/55/927404255.db2.gz	YQVCRMSSLUZEDR-UHFFFAOYSA-N	-1	0	297.322	0.451	20	30		CCEDRM
N#Cc1ccc(F)c(CNC(=O)c2n[nH]c(=O)[n-]c2=O)c1	ZINC001361948272	927469965	/nfs/dbraw/zinc/46/99/65/927469965.db2.gz	XQDAZTZEELTVCM-UHFFFAOYSA-N	-1	0	289.226	0.224	20	30		CCEDRM
Cc1cccc(NC(=O)Cn2cc(C#N)c(=O)[n-]c2=O)n1	ZINC001362050049	927559573	/nfs/dbraw/zinc/55/95/73/927559573.db2.gz	BFZPXLYIZROVKU-UHFFFAOYSA-N	-1	0	285.263	0.163	20	30		CCEDRM
Cc1ccc(NC(=O)Cn2cc(C#N)c(=O)[n-]c2=O)cn1	ZINC001362104960	927618991	/nfs/dbraw/zinc/61/89/91/927618991.db2.gz	NMGSGMOCWKKYOC-UHFFFAOYSA-N	-1	0	285.263	0.163	20	30		CCEDRM
CC(C)C1(CNC(=O)Cn2cc(C#N)c(=O)[n-]c2=O)CC1	ZINC001362198097	927720992	/nfs/dbraw/zinc/72/09/92/927720992.db2.gz	JMVOVPBXCQVEEP-UHFFFAOYSA-N	-1	0	290.323	0.373	20	30		CCEDRM
CN(Cc1nc(=O)o[n-]1)C(=O)CC1(C#N)CCOCC1	ZINC001362603814	928239458	/nfs/dbraw/zinc/23/94/58/928239458.db2.gz	JFFQDLGVXXGJPO-UHFFFAOYSA-N	-1	0	280.284	0.032	20	30		CCEDRM
COC(=O)CN(C(=O)c1[n-]c(=O)c(C#N)cc1C)C1CC1	ZINC001362769597	928466620	/nfs/dbraw/zinc/46/66/20/928466620.db2.gz	VGFVUQSLRFLYOE-UHFFFAOYSA-N	-1	0	289.291	0.745	20	30		CCEDRM
C[C@H](NC(=O)c1n[nH]c(=O)[n-]c1=O)c1cccc(C#N)c1	ZINC001362951669	928690070	/nfs/dbraw/zinc/69/00/70/928690070.db2.gz	GOUWAWNWLDKEAE-ZETCQYMHSA-N	-1	0	285.263	0.645	20	30		CCEDRM
CC[C@H](C)CC(=O)NCCn1cc(C#N)c(=O)[n-]c1=O	ZINC001363000947	928745639	/nfs/dbraw/zinc/74/56/39/928745639.db2.gz	LVDBQCFZKQIMBZ-VIFPVBQESA-N	-1	0	278.312	0.373	20	30		CCEDRM
CCC(CC)(NC(=O)c1cc(C#N)c[nH]1)c1nnn[n-]1	ZINC001363138189	928909931	/nfs/dbraw/zinc/90/99/31/928909931.db2.gz	SKJBITFMJQJGOU-UHFFFAOYSA-N	-1	0	273.300	0.845	20	30		CCEDRM
CN(Cc1nc(=O)o[n-]1)C(=O)c1ccc(CC#N)cc1	ZINC001363143131	928918217	/nfs/dbraw/zinc/91/82/17/928918217.db2.gz	WDZVEHVRTCDHFC-UHFFFAOYSA-N	-1	0	272.264	0.701	20	30		CCEDRM
Cn1c(=O)[n-]c(NCC2(CF)CCOCC2)c(C#N)c1=O	ZINC001363156645	928929777	/nfs/dbraw/zinc/92/97/77/928929777.db2.gz	KHFPCMJYTDDXEQ-UHFFFAOYSA-N	-1	0	296.302	0.123	20	30		CCEDRM
N#Cc1c[n-]n2c1nc(CN1CCOCC13CC3)cc2=O	ZINC001363225257	928995005	/nfs/dbraw/zinc/99/50/05/928995005.db2.gz	NNMFKVVLOVMKJE-UHFFFAOYSA-N	-1	0	285.307	0.671	20	30		CCEDRM
N#C[C@H]1CCCN(C(=O)c2cccc(-n3[n-]nnc3=N)c2)C1	ZINC001363339840	929131050	/nfs/dbraw/zinc/13/10/50/929131050.db2.gz	ZLSRJYCSWPBVLX-SNVBAGLBSA-N	-1	0	297.322	0.451	20	30		CCEDRM
CN(Cc1nc(=O)o[n-]1)C(=O)COc1ccccc1C#N	ZINC001363450739	929248477	/nfs/dbraw/zinc/24/84/77/929248477.db2.gz	JINUHTNICXZOAO-UHFFFAOYSA-N	-1	0	288.263	0.272	20	30		CCEDRM
CC[C@](C)(NC(=O)c1[n-]c(=O)c(C#N)cc1C)C(N)=O	ZINC001363648203	929451612	/nfs/dbraw/zinc/45/16/12/929451612.db2.gz	FHDISEJSIMXWPP-ZDUSSCGKSA-N	-1	0	276.296	0.351	20	30		CCEDRM
Cc1cc(C#N)c(=O)[n-]c1C(=O)N(C)CCn1cnnc1	ZINC001363846594	929625840	/nfs/dbraw/zinc/62/58/40/929625840.db2.gz	OJUGUOZIKWBPQH-UHFFFAOYSA-N	-1	0	286.295	0.331	20	30		CCEDRM
Cc1ccc(C(=O)C=CC(=O)NCc2nc(=O)o[n-]2)cc1	ZINC001446617422	930450294	/nfs/dbraw/zinc/45/02/94/930450294.db2.gz	PWHXANOJKVPWKX-SREVYHEPSA-N	-1	0	287.275	0.727	20	30		CCEDRM
CC1=NO[C@@H](CNC(=O)c2[n-]c(=O)c(C#N)cc2C)C1	ZINC001449940614	931210210	/nfs/dbraw/zinc/21/02/10/931210210.db2.gz	VDZSDTRLTJVLGB-SNVBAGLBSA-N	-1	0	274.280	0.862	20	30		CCEDRM
N#Cc1cccc(C(=O)NC2(C(=O)[O-])CCOCC2)n1	ZINC001601115090	970936308	/nfs/dbraw/zinc/93/63/08/970936308.db2.gz	NFJNKZXCIVPRDO-UHFFFAOYSA-N	-1	0	275.264	0.317	20	30		CCEDRM
N#Cc1ccnc(NC(=O)c2cnc(C(=O)[O-])cn2)c1	ZINC001601128365	970938635	/nfs/dbraw/zinc/93/86/35/970938635.db2.gz	KOGRDKKSVMBNJB-UHFFFAOYSA-N	-1	0	269.220	0.694	20	30		CCEDRM
Cc1nsc(NC(=O)NC[C@](C)(O)C(=O)[O-])c1C#N	ZINC001611266033	970959824	/nfs/dbraw/zinc/95/98/24/970959824.db2.gz	APWGETDKDBHTHD-JTQLQIEISA-N	-1	0	284.297	0.280	20	30		CCEDRM
C#C[C@@H](NC(=O)NCC1(C(=O)[O-])CCC1)C1CCOCC1	ZINC001602671308	971233184	/nfs/dbraw/zinc/23/31/84/971233184.db2.gz	BVQXEPSNRXQJTB-GFCCVEGCSA-N	-1	0	294.351	0.969	20	30		CCEDRM
C#C[C@H](NC(=O)[C@]1(C(=O)[O-])C[C@H]1C)[C@H]1CCCO1	ZINC001602673276	971239143	/nfs/dbraw/zinc/23/91/43/971239143.db2.gz	SQNSQDOKIMDLHA-COMAGPEQSA-N	-1	0	251.282	0.394	20	30		CCEDRM
C#CCC[C@H](O)CNC(=O)C1(C(=O)[O-])CCSCC1	ZINC001602674989	971244606	/nfs/dbraw/zinc/24/46/06/971244606.db2.gz	IFHSWKCERBDAJB-JTQLQIEISA-N	-1	0	285.365	0.475	20	30		CCEDRM
C#CC[C@@H](CO)NC(=O)[C@@]1(C(=O)[O-])CC=CCC1	ZINC001602675147	971245888	/nfs/dbraw/zinc/24/58/88/971245888.db2.gz	LIYZDBIKYJVMEF-GXFFZTMASA-N	-1	0	251.282	0.298	20	30		CCEDRM
C#CCCCn1nnnc1N1CCC[C@@H](C(=O)[O-])C1	ZINC001602675574	971250889	/nfs/dbraw/zinc/25/08/89/971250889.db2.gz	AWBUGLANVFGTTI-SNVBAGLBSA-N	-1	0	263.301	0.388	20	30		CCEDRM
C#CCCCCCC(=O)N1CCO[C@](COC)(C(=O)[O-])C1	ZINC001602675792	971254137	/nfs/dbraw/zinc/25/41/37/971254137.db2.gz	RGTJTCAVICNEKN-OAHLLOKOSA-N	-1	0	297.351	0.899	20	30		CCEDRM
C#CCN(CC(=O)[O-])C(=O)[C@@H]1CCC(=O)c2cccn21	ZINC001602682214	971266789	/nfs/dbraw/zinc/26/67/89/971266789.db2.gz	ISSKFBGRXAHDSF-NSHDSACASA-N	-1	0	274.276	0.552	20	30		CCEDRM
C#CCN(CC(=O)[O-])C(=O)Nc1nnn(C)c1C(F)F	ZINC001602688351	971289552	/nfs/dbraw/zinc/28/95/52/971289552.db2.gz	KVTZMTBSYIDGED-UHFFFAOYSA-N	-1	0	287.226	0.304	20	30		CCEDRM
C#CCN(CC(=O)[O-])C(=O)c1ccc(Cl)nc1N	ZINC001602691487	971295716	/nfs/dbraw/zinc/29/57/16/971295716.db2.gz	KWUWXAYVHINTLS-UHFFFAOYSA-N	-1	0	267.672	0.477	20	30		CCEDRM
C#CCN(CC(=O)[O-])C(=O)c1cccc2nc[nH]c(=O)c21	ZINC001602692534	971303893	/nfs/dbraw/zinc/30/38/93/971303893.db2.gz	SKRYJISSMXDFMJ-UHFFFAOYSA-N	-1	0	285.259	0.495	20	30		CCEDRM
C#CCN(CC(=O)[O-])C(=O)c1cnc(NC2CC2)s1	ZINC001602692748	971305318	/nfs/dbraw/zinc/30/53/18/971305318.db2.gz	YYSWQJMOVCTIRF-UHFFFAOYSA-N	-1	0	279.321	0.877	20	30		CCEDRM
C#CCN(CC(=O)[O-])S(=O)(=O)C[C@H](OC)C(C)C	ZINC001602699133	971316229	/nfs/dbraw/zinc/31/62/29/971316229.db2.gz	JNAAELYHAOXART-JTQLQIEISA-N	-1	0	277.342	0.007	20	30		CCEDRM
C#CCN(CC(=O)[O-])Cc1nc([C@H](C)OC)no1	ZINC001602699516	971317847	/nfs/dbraw/zinc/31/78/47/971317847.db2.gz	WKIYRNFTSBBRNJ-QMMMGPOBSA-N	-1	0	253.258	0.297	20	30		CCEDRM
C#CCOc1ccc(F)cc1NC(=O)[C@@H](OC)C(=O)[O-]	ZINC001602704674	971336267	/nfs/dbraw/zinc/33/62/67/971336267.db2.gz	MXPIUALVANTBJT-LLVKDONJSA-N	-1	0	281.239	0.876	20	30		CCEDRM
C#CCSCCNC(=O)[C@@H]1CO[C@@H](CCC(=O)[O-])C1	ZINC001602704760	971337514	/nfs/dbraw/zinc/33/75/14/971337514.db2.gz	RSNOPVIWUPGCRJ-QWRGUYRKSA-N	-1	0	285.365	0.739	20	30		CCEDRM
C=C[C@H](COC)NC(=O)C(=O)Nc1cncc(C(=O)[O-])c1	ZINC001602717665	971370408	/nfs/dbraw/zinc/37/04/08/971370408.db2.gz	XNEARLTUMONFDI-SECBINFHSA-N	-1	0	293.279	0.036	20	30		CCEDRM
CC#CC[C@@H](CO)NC(=O)c1ccc(C(=O)[O-])nc1	ZINC001602735127	971416691	/nfs/dbraw/zinc/41/66/91/971416691.db2.gz	RSIHUBQYXUSNQA-JTQLQIEISA-N	-1	0	262.265	0.284	20	30		CCEDRM
C[C@@](C#N)(CC(=O)[O-])C(=O)N1C[C@H]2CCC[C@@H](C1)C2O	ZINC001602779222	971515213	/nfs/dbraw/zinc/51/52/13/971515213.db2.gz	UFORFBOZNQQSMN-DITRRLLASA-N	-1	0	280.324	0.610	20	30		CCEDRM
C[C@](C#N)(CC(=O)[O-])C(=O)NCCC1(O)CCOCC1	ZINC001602781301	971522476	/nfs/dbraw/zinc/52/24/76/971522476.db2.gz	UWXMEYRDLXGGCZ-GFCCVEGCSA-N	-1	0	284.312	0.039	20	30		CCEDRM
N#Cc1ccc(C(=O)N[C@H]2CCC[C@H]2C(=O)[O-])nc1	ZINC000085321328	949049834	/nfs/dbraw/zinc/04/98/34/949049834.db2.gz	IAOWTYHUXTXALN-ZJUUUORDSA-N	-1	0	259.265	0.936	20	30		CCEDRM
C#CCN(CC(=O)[O-])C(=O)[C@@H]1Oc2ccccc2O[C@H]1C	ZINC000092478458	949149478	/nfs/dbraw/zinc/14/94/78/949149478.db2.gz	KLPKCFYMHSUHJL-IINYFYTJSA-N	-1	0	289.287	0.761	20	30		CCEDRM
C#CCN(CC(=O)[O-])C(=O)c1c(OC)cccc1OC	ZINC000092478743	949149973	/nfs/dbraw/zinc/14/99/73/949149973.db2.gz	RQDJNVVCIJVPQU-UHFFFAOYSA-N	-1	0	277.276	0.864	20	30		CCEDRM
C#CCN(CC(=O)[O-])[C@@H](C)C(=O)NC(CC)CC	ZINC000092482347	949154076	/nfs/dbraw/zinc/15/40/76/949154076.db2.gz	AMBJLPBTDUQKIJ-JTQLQIEISA-N	-1	0	254.330	0.700	20	30		CCEDRM
N#C[C@@H]1CN(C(=O)c2ccc(C(=O)[O-])nc2)CCO1	ZINC000093937583	949172540	/nfs/dbraw/zinc/17/25/40/949172540.db2.gz	VBXWWSSHVXUCOM-SECBINFHSA-N	-1	0	261.237	0.144	20	30		CCEDRM
C#CCN(CC(=O)[O-])C(=O)NCC[C@H]1CCCCO1	ZINC000223648383	949569991	/nfs/dbraw/zinc/56/99/91/949569991.db2.gz	UKKQLDUSHPLXQZ-LLVKDONJSA-N	-1	0	268.313	0.675	20	30		CCEDRM
C[C@@H](C(=O)[O-])C(=O)OCCNc1ncccc1C#N	ZINC001602810402	971600330	/nfs/dbraw/zinc/60/03/30/971600330.db2.gz	OREKAMXHIZGSBF-QMMMGPOBSA-N	-1	0	263.253	0.629	20	30		CCEDRM
C[C@@H](C(=O)[O-])C(=O)Nc1ncn(Cc2ccc(C#N)cc2)n1	ZINC001602811220	971603083	/nfs/dbraw/zinc/60/30/83/971603083.db2.gz	VSCRJLZSNFBODI-SECBINFHSA-N	-1	0	299.290	0.857	20	30		CCEDRM
O=C([O-])c1cnc(C(=O)NCC#C[C@H]2CCCCO2)cn1	ZINC001595267131	949762254	/nfs/dbraw/zinc/76/22/54/949762254.db2.gz	ATURMLBBVZDNRL-SNVBAGLBSA-N	-1	0	289.291	0.477	20	30		CCEDRM
CCN(CC(=O)NCc1ccc(C#N)cc1)[C@H](C)C(=O)[O-]	ZINC001589719049	950392996	/nfs/dbraw/zinc/39/29/96/950392996.db2.gz	NQIVRCHOJXGKEE-LLVKDONJSA-N	-1	0	289.335	0.969	20	30		CCEDRM
CCN(C[C@@H](C)C#N)C(=O)COC(=O)C(C)(C)C(=O)[O-]	ZINC001589719363	950402965	/nfs/dbraw/zinc/40/29/65/950402965.db2.gz	DOIPHTKXASQTKG-VIFPVBQESA-N	-1	0	284.312	0.649	20	30		CCEDRM
CCN(C[C@@H](C)C#N)C(=O)COC(=O)[C@@H](C)C(=O)[O-]	ZINC001589720087	950410855	/nfs/dbraw/zinc/41/08/55/950410855.db2.gz	MJLWLSYUTGESRZ-IUCAKERBSA-N	-1	0	270.285	0.258	20	30		CCEDRM
O=C([O-])Cn1cccc1C=NOC[C@H]1CCOC1	ZINC001595157788	952172991	/nfs/dbraw/zinc/17/29/91/952172991.db2.gz	BPNQQAZKBSHRIE-JTQLQIEISA-N	-1	0	252.270	0.960	20	30		CCEDRM
CN(CC(=O)[O-])Cc1cn(Cc2ccc(C#N)cc2)nn1	ZINC001593722885	954263511	/nfs/dbraw/zinc/26/35/11/954263511.db2.gz	SRNGCUNSSITRIM-UHFFFAOYSA-N	-1	0	285.307	0.714	20	30		CCEDRM
CN(CN1C[C@@H](C(=O)[O-])CC1=O)c1ccccc1C#N	ZINC001593756901	954460306	/nfs/dbraw/zinc/46/03/06/954460306.db2.gz	KNWPRBOTDBKOLD-NSHDSACASA-N	-1	0	273.292	0.885	20	30		CCEDRM
CN(Cc1cccc(C#N)c1)CN1C[C@H](C(=O)[O-])CC1=O	ZINC001593761010	954491349	/nfs/dbraw/zinc/49/13/49/954491349.db2.gz	JKECLQYMUXXPNY-CYBMUJFWSA-N	-1	0	287.319	0.881	20	30		CCEDRM
CC[C@](C)(C#N)NC(=O)c1cccn(CC(=O)[O-])c1=O	ZINC001589446496	954765096	/nfs/dbraw/zinc/76/50/96/954765096.db2.gz	BCRLBEBYEKLVAV-CYBMUJFWSA-N	-1	0	277.280	0.355	20	30		CCEDRM
C#Cc1cccc(NC(=O)N2CC[C@@](O)(C(=O)[O-])C2)c1	ZINC000386483941	972057639	/nfs/dbraw/zinc/05/76/39/972057639.db2.gz	QZDYZTVHRMBGBG-AWEZNQCLSA-N	-1	0	274.276	0.721	20	30		CCEDRM
O=C([O-])[C@@H]1COCCN1CC#Cc1ccc(F)cc1	ZINC001594957738	954994066	/nfs/dbraw/zinc/99/40/66/954994066.db2.gz	ZPUWFZWZHZCHCD-ZDUSSCGKSA-N	-1	0	263.268	0.963	20	30		CCEDRM
Cn1c(-c2coc(C#N)c2)nnc1N1CC[C@@H](C(=O)[O-])C1	ZINC001594515527	955412778	/nfs/dbraw/zinc/41/27/78/955412778.db2.gz	JMNBOKCZXQAJKN-MRVPVSSYSA-N	-1	0	287.279	0.858	20	30		CCEDRM
Cn1c([C@@H]2C[C@H]2C#N)nnc1N1CCC[C@@H](C(=O)[O-])C1	ZINC001594518347	955439258	/nfs/dbraw/zinc/43/92/58/955439258.db2.gz	VYFIJSOHSJQKSF-KXUCPTDWSA-N	-1	0	275.312	0.743	20	30		CCEDRM
Cn1c(C#N)ccc1C(=O)N1CCCC[C@H]1C(=O)[O-]	ZINC001594524258	955491202	/nfs/dbraw/zinc/49/12/02/955491202.db2.gz	DMVZAFXKDLDOSR-NSHDSACASA-N	-1	0	261.281	0.976	20	30		CCEDRM
C[C@H](CNC(=O)[C@@](C)(C#N)CC(=O)[O-])c1nncn1C	ZINC001589039777	955584766	/nfs/dbraw/zinc/58/47/66/955584766.db2.gz	JCMFWVOQUKUUFQ-PRHODGIISA-N	-1	0	279.300	0.039	20	30		CCEDRM
Cn1cc([C@H]2C[C@@H](C(=O)[O-])CN(CCC#N)C2)cn1	ZINC001594538152	955598424	/nfs/dbraw/zinc/59/84/24/955598424.db2.gz	QPRVNHIKOLIQMC-WDEREUQCSA-N	-1	0	262.313	0.824	20	30		CCEDRM
C[C@@H](CNC(=O)N[C@@H](CC#N)C(F)(F)F)C(=O)[O-]	ZINC001589050546	955656732	/nfs/dbraw/zinc/65/67/32/955656732.db2.gz	FZYKHNNVBGKNNW-WDSKDSINSA-N	-1	0	267.207	0.851	20	30		CCEDRM
CO[C@@H](C(=O)[O-])C(=O)N(CCC#N)Cc1ccco1	ZINC001593902169	955881279	/nfs/dbraw/zinc/88/12/79/955881279.db2.gz	MKJTVWUUUOAIQV-SNVBAGLBSA-N	-1	0	266.253	0.621	20	30		CCEDRM
CO[C@@H](C(=O)[O-])C(=O)Nc1cc(C#N)c(F)cc1F	ZINC001593912082	955975722	/nfs/dbraw/zinc/97/57/22/955975722.db2.gz	WNDUVNOWUIUAAL-SECBINFHSA-N	-1	0	270.191	0.875	20	30		CCEDRM
CO[C@@H](C(=O)[O-])C(=O)Nc1nc2c(cc1C#N)CCCC2	ZINC001593915049	956012361	/nfs/dbraw/zinc/01/23/61/956012361.db2.gz	KZPCYXNRJKSMRE-LLVKDONJSA-N	-1	0	289.291	0.870	20	30		CCEDRM
N#CC1(C(=O)NCC2(C(=O)[O-])CCOCC2)CCOCC1	ZINC001594601877	956140092	/nfs/dbraw/zinc/14/00/92/956140092.db2.gz	RTUXSIXVPCEOSQ-UHFFFAOYSA-N	-1	0	296.323	0.304	20	30		CCEDRM
N#CC[C@H](C(=O)Nc1ncn(CC(=O)[O-])n1)c1ccccc1	ZINC001594606059	956176303	/nfs/dbraw/zinc/17/63/03/956176303.db2.gz	NKMSRFBEKRWVRD-NSHDSACASA-N	-1	0	299.290	0.999	20	30		CCEDRM
N#CC1CN(C(=O)C2(CC(=O)[O-])CCOCC2)C1	ZINC001594606170	956178447	/nfs/dbraw/zinc/17/84/47/956178447.db2.gz	ROILEYOYUJOROK-UHFFFAOYSA-N	-1	0	252.270	0.240	20	30		CCEDRM
N#C[C@@H]1CN(C(=O)[C@@H](C(=O)[O-])C2CCCC2)CCO1	ZINC001594606253	956180232	/nfs/dbraw/zinc/18/02/32/956180232.db2.gz	TWWSBBWNNJVKFO-MNOVXSKESA-N	-1	0	266.297	0.628	20	30		CCEDRM
N#CCN(CC#N)C(=O)[C@@H]1CO[C@@H](CCC(=O)[O-])C1	ZINC001594609709	956194094	/nfs/dbraw/zinc/19/40/94/956194094.db2.gz	IRGXSVVWADWXAX-UWVGGRQHSA-N	-1	0	265.269	0.132	20	30		CCEDRM
N#CCSCC(=O)NC[C@@H]1CCC2(CC(C(=O)[O-])C2)O1	ZINC001594610928	956207530	/nfs/dbraw/zinc/20/75/30/956207530.db2.gz	CVMGZHXTVCCIHG-QUNCOHTASA-N	-1	0	298.364	0.772	20	30		CCEDRM
N#CCn1cc(NC(=O)C2(C(=O)[O-])CCSCC2)cn1	ZINC001594610996	956209631	/nfs/dbraw/zinc/20/96/31/956209631.db2.gz	KWGCGPXNLVSEEH-UHFFFAOYSA-N	-1	0	294.336	0.943	20	30		CCEDRM
N#Cc1c(N2CC[C@@H](C(=O)[O-])C2)cccc1S(N)(=O)=O	ZINC001594614087	956228202	/nfs/dbraw/zinc/22/82/02/956228202.db2.gz	IWNIXOJBYFLGDW-MRVPVSSYSA-N	-1	0	295.320	0.117	20	30		CCEDRM
N#Cc1cc(C(=O)N2CCC[C@H](C(=O)[O-])C2)ccn1	ZINC001594614444	956232236	/nfs/dbraw/zinc/23/22/36/956232236.db2.gz	VXISFFWXWBWQCY-JTQLQIEISA-N	-1	0	259.265	0.890	20	30		CCEDRM
N#Cc1cc(C(=O)N[C@@]2(C(=O)[O-])CCOC2)ccc1F	ZINC001594614576	956233610	/nfs/dbraw/zinc/23/36/10/956233610.db2.gz	ZXZGVMBYNTZERQ-ZDUSSCGKSA-N	-1	0	278.239	0.671	20	30		CCEDRM
N#Cc1ccc(C(=O)COC(=O)COCC(=O)[O-])cc1	ZINC001594617917	956255867	/nfs/dbraw/zinc/25/58/67/956255867.db2.gz	RUXXOGJIWTZXFR-UHFFFAOYSA-N	-1	0	277.232	0.385	20	30		CCEDRM
C[C@@](O)(CNC(=O)c1cc(C#N)ccc1Cl)C(=O)[O-]	ZINC001589143622	956270525	/nfs/dbraw/zinc/27/05/25/956270525.db2.gz	CEEWRLRJZPWZOD-GFCCVEGCSA-N	-1	0	282.683	0.777	20	30		CCEDRM
N#Cc1ccc(NC(=O)COC(=O)CCC(=O)[O-])cc1	ZINC001594622637	956291746	/nfs/dbraw/zinc/29/17/46/956291746.db2.gz	CCLWQINGBZXPCD-UHFFFAOYSA-N	-1	0	276.248	0.905	20	30		CCEDRM
N#Cc1cccc(C#N)c1N1C[C@@H]2COC[C@]2(C(=O)[O-])C1	ZINC001594625057	956306199	/nfs/dbraw/zinc/30/61/99/956306199.db2.gz	BXGKIIFHMNRBMT-IUODEOHRSA-N	-1	0	283.287	0.967	20	30		CCEDRM
N#Cc1ccc2c(c1)C[C@H](NC(=O)NCCC(=O)[O-])C2	ZINC001594627079	956320856	/nfs/dbraw/zinc/32/08/56/956320856.db2.gz	LJLXSXSTXLWARA-GFCCVEGCSA-N	-1	0	273.292	0.799	20	30		CCEDRM
N#Cc1ccc2c(c1)CCN2C(=O)[C@@H]1CC(C(=O)[O-])=NO1	ZINC001594627644	956323560	/nfs/dbraw/zinc/32/35/60/956323560.db2.gz	SBPFMRWEFCOYDJ-LBPRGKRZSA-N	-1	0	285.259	0.677	20	30		CCEDRM
N#Cc1ncn(CCNC(=O)C2(C(=O)[O-])CCCCC2)n1	ZINC001594635714	956370377	/nfs/dbraw/zinc/37/03/77/956370377.db2.gz	RTXFMJGJJYKEBD-UHFFFAOYSA-N	-1	0	291.311	0.301	20	30		CCEDRM
COCC#CC(=O)NC[C@H]1CCC2(CC(C(=O)[O-])C2)O1	ZINC001593951807	956396242	/nfs/dbraw/zinc/39/62/42/956396242.db2.gz	RWWOCNCVCOLBSL-IQLKVPPVSA-N	-1	0	281.308	0.165	20	30		CCEDRM
C[C@]1(C#N)CN(C(=O)NCC2(C(=O)[O-])CCC2)CCO1	ZINC001589181835	956529079	/nfs/dbraw/zinc/52/90/79/956529079.db2.gz	QZLHVTHZCGOSMJ-LBPRGKRZSA-N	-1	0	281.312	0.565	20	30		CCEDRM
COCCN(C(=O)COCC(=O)[O-])c1ccc(C#N)cc1	ZINC001593995103	956876765	/nfs/dbraw/zinc/87/67/65/956876765.db2.gz	BUHWNZZZFBJNPA-UHFFFAOYSA-N	-1	0	292.291	0.639	20	30		CCEDRM
COCCN(CC(=O)[O-])C(=O)c1ccc(C#N)o1	ZINC001593998890	956914307	/nfs/dbraw/zinc/91/43/07/956914307.db2.gz	IJCMGEAWBMIFEF-UHFFFAOYSA-N	-1	0	252.226	0.324	20	30		CCEDRM
C[C@H]1C(=O)N(N=Cc2cccn2CC(=O)[O-])C(=O)N1C	ZINC001589259384	957025522	/nfs/dbraw/zinc/02/55/22/957025522.db2.gz	PYRWWHFPAWRQBK-QMMMGPOBSA-N	-1	0	278.268	0.189	20	30		CCEDRM
COCC[C@@H](NC(=O)c1cccc(C#N)c1)C(=O)[O-]	ZINC000052783864	957511065	/nfs/dbraw/zinc/51/10/65/957511065.db2.gz	ZKKSNZUCXPWANC-LLVKDONJSA-N	-1	0	262.265	0.778	20	30		CCEDRM
Cc1oc(C(=O)[O-])cc1S(=O)(=O)NCCCC#N	ZINC000055312819	957544249	/nfs/dbraw/zinc/54/42/49/957544249.db2.gz	AKAODZFTGZHNKK-UHFFFAOYSA-N	-1	0	272.282	0.868	20	30		CCEDRM
COc1c(O)c(C=NNCCC(=O)[O-])ccc1[N+](=O)[O-]	ZINC001594047617	957947225	/nfs/dbraw/zinc/94/72/25/957947225.db2.gz	BFQZSTCVFMEBPK-UHFFFAOYSA-N	-1	0	283.240	0.707	20	30		CCEDRM
C#C[C@@H]1CCCCN1C(=O)C(=O)NCCCCC(=O)[O-]	ZINC001588382000	957966388	/nfs/dbraw/zinc/96/63/88/957966388.db2.gz	CXAHPRAPTGVCJK-LLVKDONJSA-N	-1	0	280.324	0.372	20	30		CCEDRM
C#C[C@@H]1COCCN1C(=O)c1cccc(OCC(=O)[O-])c1	ZINC001588383723	957968407	/nfs/dbraw/zinc/96/84/07/957968407.db2.gz	IXYKBWJGWLVZLB-GFCCVEGCSA-N	-1	0	289.287	0.624	20	30		CCEDRM
C#CC1(O)CCN(C(=O)[C@]2(C(=O)[O-])CC2(C)C)CC1	ZINC001588385304	957970142	/nfs/dbraw/zinc/97/01/42/957970142.db2.gz	CSTGJCKSGUIFGI-AWEZNQCLSA-N	-1	0	265.309	0.474	20	30		CCEDRM
C#C[C@H](NC(=O)c1cccn(CC(=O)[O-])c1=O)C(C)(C)C	ZINC001588386166	957976652	/nfs/dbraw/zinc/97/66/52/957976652.db2.gz	OHMHCGIMUZPNKE-NSHDSACASA-N	-1	0	290.319	0.711	20	30		CCEDRM
C#CC1(O)CN(C(=O)[C@@H](C(=O)[O-])C2CCCC2)C1	ZINC001588386662	957980880	/nfs/dbraw/zinc/98/08/80/957980880.db2.gz	UGXLJJQKXLCFMC-JTQLQIEISA-N	-1	0	251.282	0.084	20	30		CCEDRM
C#C[C@H](C)N(C)C(=O)C(=O)Nc1cccc(CC(=O)[O-])c1	ZINC001588387039	957984681	/nfs/dbraw/zinc/98/46/81/957984681.db2.gz	FHSSTSHGCNOXAA-JTQLQIEISA-N	-1	0	288.303	0.732	20	30		CCEDRM
C#C[C@@H](NC(=O)[C@H]1CCCN(CC(=O)[O-])C1=O)C(C)C	ZINC001588387883	957990564	/nfs/dbraw/zinc/99/05/64/957990564.db2.gz	MUYBMZVDJPKNOD-GHMZBOCLSA-N	-1	0	280.324	0.084	20	30		CCEDRM
C#CC[C@@H](CCOC)NC(=O)c1cc(C(=O)[O-])n[nH]1	ZINC001588389147	958005618	/nfs/dbraw/zinc/00/56/18/958005618.db2.gz	OJUBRWJBNNUOKT-QMMMGPOBSA-N	-1	0	265.269	0.266	20	30		CCEDRM
C#CC[C@@H](COC)OC(=O)c1cnc(C(=O)[O-])cn1	ZINC001588389278	958005752	/nfs/dbraw/zinc/00/57/52/958005752.db2.gz	QHALQJIMVZOMNN-QMMMGPOBSA-N	-1	0	264.237	0.370	20	30		CCEDRM
C#CC1CCN(C(=O)C(=O)N2CCC[C@@H](C(=O)[O-])C2)CC1	ZINC001588389330	958006780	/nfs/dbraw/zinc/00/67/80/958006780.db2.gz	RMARUKYMQNGGLS-GFCCVEGCSA-N	-1	0	292.335	0.181	20	30		CCEDRM
C#CCCCCNC(=O)C(=O)N1CCC[C@H](CC(=O)[O-])C1	ZINC001588390809	958014857	/nfs/dbraw/zinc/01/48/57/958014857.db2.gz	KLTBDSJKMMVNLY-GFCCVEGCSA-N	-1	0	294.351	0.619	20	30		CCEDRM
C#CCC1(NC(=O)NC[C@@H](CC)C(=O)[O-])CCOCC1	ZINC001588391134	958018760	/nfs/dbraw/zinc/01/87/60/958018760.db2.gz	BAEOGWGGARWASF-LLVKDONJSA-N	-1	0	282.340	0.969	20	30		CCEDRM
C#CCC[C@H](O)CNC(=O)C1(CC(=O)[O-])CCC1	ZINC001588391521	958023608	/nfs/dbraw/zinc/02/36/08/958023608.db2.gz	IWYXRYOURAMFOD-JTQLQIEISA-N	-1	0	253.298	0.522	20	30		CCEDRM
C#CCN(CC(=O)[O-])C(=O)C(=C)CCC(=O)OC	ZINC001588396132	958046577	/nfs/dbraw/zinc/04/65/77/958046577.db2.gz	UYSGAPYCJCFZJW-UHFFFAOYSA-N	-1	0	253.254	0.042	20	30		CCEDRM
C#CCN(CC(=O)[O-])C(=O)[C@H](C)C1CCOCC1	ZINC001588397407	958056203	/nfs/dbraw/zinc/05/62/03/958056203.db2.gz	HDHHGXYQBADZSM-SNVBAGLBSA-N	-1	0	253.298	0.596	20	30		CCEDRM
C#CCN(CC(=O)[O-])C(=O)[C@H](C)NC(=O)C1CCCCC1	ZINC001588397429	958058149	/nfs/dbraw/zinc/05/81/49/958058149.db2.gz	HZSUXHPTHMXQMH-NSHDSACASA-N	-1	0	294.351	0.618	20	30		CCEDRM
C#CCN(CC(=O)[O-])C(=O)C(C)(C)n1cnc(C)c1	ZINC001588397586	958060285	/nfs/dbraw/zinc/06/02/85/958060285.db2.gz	MTYMMUNDCKLHJJ-UHFFFAOYSA-N	-1	0	263.297	0.473	20	30		CCEDRM
C#CCN(CC(=O)[O-])C(=O)[C@H](C)NC(=O)CC(C)(C)C	ZINC001588397606	958061024	/nfs/dbraw/zinc/06/10/24/958061024.db2.gz	NJXULZKGQFEYAS-JTQLQIEISA-N	-1	0	282.340	0.474	20	30		CCEDRM
C#CCN(CC(=O)[O-])C(=O)C1=NN(CC(C)C)C(=O)CC1	ZINC001588398987	958069161	/nfs/dbraw/zinc/06/91/61/958069161.db2.gz	FCIJDGFQAPCQLU-UHFFFAOYSA-N	-1	0	293.323	0.167	20	30		CCEDRM
C#CCN(CC(=O)[O-])C(=O)[C@H]1C[C@]1(C)Br	ZINC001588399527	958074123	/nfs/dbraw/zinc/07/41/23/958074123.db2.gz	LYBLTDVNLRIIKU-XCBNKYQSSA-N	-1	0	274.114	0.706	20	30		CCEDRM
C#CCN(CC(=O)[O-])C(=O)[C@@H]1CCN(CC(F)(F)F)C1	ZINC001588399537	958074648	/nfs/dbraw/zinc/07/46/48/958074648.db2.gz	MALBGFJYZSOOEH-SECBINFHSA-N	-1	0	292.257	0.417	20	30		CCEDRM
C#CCN(CC(=O)[O-])C(=O)C12CCC(C(=O)OC)(CC1)C2	ZINC001588400382	958080852	/nfs/dbraw/zinc/08/08/52/958080852.db2.gz	WMZOUCGLLMEBQZ-UHFFFAOYSA-N	-1	0	293.319	0.656	20	30		CCEDRM
C#CCN(CC(=O)[O-])C(=O)Cc1c(OC)cccc1OC	ZINC001588407209	958098108	/nfs/dbraw/zinc/09/81/08/958098108.db2.gz	IWGZKRFLCAMLCY-UHFFFAOYSA-N	-1	0	291.303	0.793	20	30		CCEDRM
C#CCN(CC(=O)[O-])C(=O)Cc1sc(=S)[nH]c1C	ZINC001588407588	958101028	/nfs/dbraw/zinc/10/10/28/958101028.db2.gz	RKMZEGFLSNLHSY-UHFFFAOYSA-N	-1	0	284.362	0.829	20	30		CCEDRM
C#CCN(CC(=O)[O-])C(=O)NCCCc1cnn(C)c1	ZINC001588408272	958106607	/nfs/dbraw/zinc/10/66/07/958106607.db2.gz	FDNYTIUAOQKXQJ-UHFFFAOYSA-N	-1	0	278.312	0.082	20	30		CCEDRM
C#CCN(CC(=O)[O-])C(=O)NCCN(C)c1ccccc1	ZINC001588408661	958115378	/nfs/dbraw/zinc/11/53/78/958115378.db2.gz	XSLSVNPIIPUMNV-UHFFFAOYSA-N	-1	0	289.335	0.852	20	30		CCEDRM
C#CCN(CC(=O)[O-])C(=O)Nc1cc2ccccn2n1	ZINC001588410994	958143521	/nfs/dbraw/zinc/14/35/21/958143521.db2.gz	DJGFARSJDMGASD-UHFFFAOYSA-N	-1	0	272.264	0.886	20	30		CCEDRM
C#CCN(CC(=O)[O-])C(=O)N[C@H]1CC[C@H](C#C)CC1	ZINC001588410948	958143749	/nfs/dbraw/zinc/14/37/49/958143749.db2.gz	BBTDUALOXGXYHZ-HAQNSBGRSA-N	-1	0	262.309	0.908	20	30		CCEDRM
C#CCN(CC(=O)[O-])C(=O)c1cc(=O)n(C)c2ccccc12	ZINC001588417463	958174596	/nfs/dbraw/zinc/17/45/96/958174596.db2.gz	PMOMMLZABMZJLH-UHFFFAOYSA-N	-1	0	298.298	0.699	20	30		CCEDRM
C#CCN(CC(=O)[O-])C(=O)Nc1nnc(OC)s1	ZINC001588417626	958177741	/nfs/dbraw/zinc/17/77/41/958177741.db2.gz	ZVXDGHOFMYFMBL-UHFFFAOYSA-N	-1	0	270.270	0.098	20	30		CCEDRM
C#CCN(CC(=O)[O-])C(=O)c1ccnn1C(F)F	ZINC001588418672	958184332	/nfs/dbraw/zinc/18/43/32/958184332.db2.gz	BXWSJBFBYGZLOK-UHFFFAOYSA-N	-1	0	257.196	0.438	20	30		CCEDRM
C#CCN(CC(=O)[O-])C(=O)c1cnn(CCF)c1	ZINC001588418982	958189494	/nfs/dbraw/zinc/18/94/94/958189494.db2.gz	ZDTQJTSXYIYYLE-UHFFFAOYSA-N	-1	0	253.233	0.013	20	30		CCEDRM
C#CCN(CC(=O)[O-])C[C@H](O)COc1ccccc1F	ZINC001588423776	958206746	/nfs/dbraw/zinc/20/67/46/958206746.db2.gz	FWELFSHDFXKYRR-NSHDSACASA-N	-1	0	281.283	0.585	20	30		CCEDRM
C#CCN(CC(=O)[O-])C[C@@H]1CCC2(CCOCC2)CO1	ZINC001588423751	958207618	/nfs/dbraw/zinc/20/76/18/958207618.db2.gz	DPYCUDAZUKXURA-ZDUSSCGKSA-N	-1	0	281.352	0.982	20	30		CCEDRM
C#CCN(CC(=O)[O-])Cc1ccc(-n2cncn2)c(F)c1	ZINC001588424604	958216583	/nfs/dbraw/zinc/21/65/83/958216583.db2.gz	TWHMSFMDIHJQJP-UHFFFAOYSA-N	-1	0	288.282	0.926	20	30		CCEDRM
C#CCN(CC(=O)[O-])Cc1cnc2c(c1)c(C)nn2C	ZINC001588425198	958222407	/nfs/dbraw/zinc/22/24/07/958222407.db2.gz	IZVSFNGVAZRURU-UHFFFAOYSA-N	-1	0	272.308	0.797	20	30		CCEDRM
C#CCN(CC(=O)OC(C)(C)C)C(=O)[C@@H](C(=O)[O-])C1CC1	ZINC001588426919	958236951	/nfs/dbraw/zinc/23/69/51/958236951.db2.gz	GWKWYFPGUVJJRH-LBPRGKRZSA-N	-1	0	295.335	0.901	20	30		CCEDRM
C#CCOCCC(=O)N1CC[C@@H](C)[C@H](C(=O)[O-])C1	ZINC001588430667	958259644	/nfs/dbraw/zinc/25/96/44/958259644.db2.gz	FQWVEGSLTCUCQT-GHMZBOCLSA-N	-1	0	253.298	0.596	20	30		CCEDRM
C=CC(C)(C)NC(=O)C(=O)Nc1cccnc1C(=O)[O-]	ZINC001588450263	958388914	/nfs/dbraw/zinc/38/89/14/958388914.db2.gz	BKZHVPKNBBFFDD-UHFFFAOYSA-N	-1	0	277.280	0.799	20	30		CCEDRM
C=C[C@@H](C)ONC(=O)N1C[C@@H]2COC[C@]2(C(=O)[O-])C1	ZINC001588451370	958411179	/nfs/dbraw/zinc/41/11/79/958411179.db2.gz	UJOCZVZTSDBZRA-KBVBSXBZSA-N	-1	0	270.285	0.235	20	30		CCEDRM
C=C[C@H](OC(=O)C1(C(=O)[O-])CCSCC1)C(=O)OC	ZINC001588452152	958418346	/nfs/dbraw/zinc/41/83/46/958418346.db2.gz	JSPSTOAIADILFO-QMMMGPOBSA-N	-1	0	288.321	0.855	20	30		CCEDRM
C=C[C@@H](COC)NC(=O)Nc1ccn(CC(=O)[O-])n1	ZINC001588453368	958436586	/nfs/dbraw/zinc/43/65/86/958436586.db2.gz	XTJPLPJTAJFCLV-QMMMGPOBSA-N	-1	0	268.273	0.290	20	30		CCEDRM
C=CCC[C@H](CO)NC(=O)[C@@](C)(C#N)CC(=O)[O-]	ZINC001588457236	958446435	/nfs/dbraw/zinc/44/64/35/958446435.db2.gz	RDGWPYQQSJBJKU-BXKDBHETSA-N	-1	0	254.286	0.434	20	30		CCEDRM
C=CC[C@H]1CCN1C(=O)c1cccn(CC(=O)[O-])c1=O	ZINC001588457303	958448096	/nfs/dbraw/zinc/44/80/96/958448096.db2.gz	TYESZRMQPAYCQF-JTQLQIEISA-N	-1	0	276.292	0.724	20	30		CCEDRM
C=CCC1(O)CCN(C(=O)[C@@]2(C(=O)[O-])CCCO2)CC1	ZINC001588458390	958462401	/nfs/dbraw/zinc/46/24/01/958462401.db2.gz	UAWBHANYYGWWFH-CQSZACIVSA-N	-1	0	283.324	0.550	20	30		CCEDRM
C=CCCC[C@@H](NC(=O)COCC(=O)[O-])C(=O)OC	ZINC001588458823	958467003	/nfs/dbraw/zinc/46/70/03/958467003.db2.gz	UEHIILNFATZKAN-SECBINFHSA-N	-1	0	273.285	0.102	20	30		CCEDRM
C=CCN(C)C(=O)C(=O)Nc1ccccc1CC(=O)[O-]	ZINC001588463340	958482770	/nfs/dbraw/zinc/48/27/70/958482770.db2.gz	NCWPPWJGLXDCOQ-UHFFFAOYSA-N	-1	0	276.292	0.897	20	30		CCEDRM
C=CCOC[C@@H]1NC(=O)N(C[C@H](CC)C(=O)[O-])C1=O	ZINC001588465060	958495174	/nfs/dbraw/zinc/49/51/74/958495174.db2.gz	FUSWSXXGXVZBOC-IUCAKERBSA-N	-1	0	270.285	0.220	20	30		CCEDRM
C=CCOC[C@@H]1NC(=O)N(CC2(C(=O)[O-])CCC2)C1=O	ZINC001588465150	958496357	/nfs/dbraw/zinc/49/63/57/958496357.db2.gz	MGZFQLKEUFNYIT-VIFPVBQESA-N	-1	0	282.296	0.364	20	30		CCEDRM
C=CCNC(=O)NC(=O)[C@@H](C)SCCC(=O)[O-]	ZINC001588465384	958501564	/nfs/dbraw/zinc/50/15/64/958501564.db2.gz	HKOPVKLXJZDSAP-SSDOTTSWSA-N	-1	0	260.315	0.595	20	30		CCEDRM
C=CCNC(=O)NC(=O)[C@H](C)OC(=O)[C@H](C(=O)[O-])C1CC1	ZINC001588465471	958503472	/nfs/dbraw/zinc/50/34/72/958503472.db2.gz	LGRMVQWVYUFDON-CBAPKCEASA-N	-1	0	298.295	0.041	20	30		CCEDRM
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CC[C@@](COC)(C(=O)[O-])C1	ZINC001573330240	958516847	/nfs/dbraw/zinc/51/68/47/958516847.db2.gz	WUWLFUFSNCMEHD-SLEUVZQESA-N	-1	0	297.351	0.917	20	30		CCEDRM
C=CCn1c(C[C@H](C)O)nnc1N1CCC[C@@H](C(=O)[O-])C1	ZINC001588471568	958535109	/nfs/dbraw/zinc/53/51/09/958535109.db2.gz	BBKSGHJPGMNKQZ-WDEREUQCSA-N	-1	0	294.355	0.688	20	30		CCEDRM
C=CCn1c(C[C@@H](C)O)nnc1N1CC[C@@](C)(C(=O)[O-])C1	ZINC001588472121	958540523	/nfs/dbraw/zinc/54/05/23/958540523.db2.gz	JPOJEJRGUOHADP-QMTHXVAHSA-N	-1	0	294.355	0.688	20	30		CCEDRM
C=CCCC(=O)N1CCS(=O)(=O)C[C@@H]1CC(=O)[O-]	ZINC000124623251	958541166	/nfs/dbraw/zinc/54/11/66/958541166.db2.gz	YFXJQPXMOFWZPB-VIFPVBQESA-N	-1	0	275.326	0.053	20	30		CCEDRM
C=C[C@@H]1OCC[C@H]1NC(=O)C1(C(=O)[O-])CCOCC1	ZINC001588478384	958565022	/nfs/dbraw/zinc/56/50/22/958565022.db2.gz	KKHLAYIDFHHPNL-ZJUUUORDSA-N	-1	0	269.297	0.328	20	30		CCEDRM
CC#CCn1nnnc1N1CCC[C@H](CC(=O)[O-])C1	ZINC001588480624	958589895	/nfs/dbraw/zinc/58/98/95/958589895.db2.gz	SACRYAKWFLXPFF-SNVBAGLBSA-N	-1	0	263.301	0.388	20	30		CCEDRM
C[C@](C#N)(CC(=O)[O-])C(=O)Nc1ccc(CO)c(CO)c1	ZINC001573362451	958598414	/nfs/dbraw/zinc/59/84/14/958598414.db2.gz	BLJRKLKPTVTJMW-CQSZACIVSA-N	-1	0	292.291	0.614	20	30		CCEDRM
C[C@](C#N)(CC(=O)[O-])C(=O)N[C@H]1CC12CCOCC2	ZINC001573364765	958617216	/nfs/dbraw/zinc/61/72/16/958617216.db2.gz	QQVRJGJBVUYONJ-JOYOIKCWSA-N	-1	0	266.297	0.676	20	30		CCEDRM
C[C@@](C#N)(CC(=O)[O-])C(=O)NCc1nc(C#N)cs1	ZINC001573365469	958622071	/nfs/dbraw/zinc/62/20/71/958622071.db2.gz	VKHWTUYLMCTJIM-NSHDSACASA-N	-1	0	278.293	0.636	20	30		CCEDRM
COc1cccc(O)c1/C=N\CCOCC(=O)[O-]	ZINC001594131935	958685867	/nfs/dbraw/zinc/68/58/67/958685867.db2.gz	XKZVRGXPEHVPRF-QPEQYQDCSA-N	-1	0	253.254	0.921	20	30		CCEDRM
CC(C)(C)[C@H](C#N)NC(=O)c1cccn(CC(=O)[O-])c1=O	ZINC001573391224	958702881	/nfs/dbraw/zinc/70/28/81/958702881.db2.gz	UMNLSSBDJHUZCX-JTQLQIEISA-N	-1	0	291.307	0.601	20	30		CCEDRM
C[C@](C#N)(CC(=O)[O-])C(=O)N1CCC2(COC2)C1	ZINC001588536745	958935030	/nfs/dbraw/zinc/93/50/30/958935030.db2.gz	YZVXBTUHVPCADN-LLVKDONJSA-N	-1	0	252.270	0.240	20	30		CCEDRM
C[C@](C#N)(CC(=O)[O-])C(=O)N[C@H]1CCC[C@H]1CCO	ZINC001588539014	958950084	/nfs/dbraw/zinc/95/00/84/958950084.db2.gz	TWZPEPNSLFHJNT-OUJBWJOFSA-N	-1	0	268.313	0.658	20	30		CCEDRM
C[C@@](C#N)(CC(=O)[O-])C(=O)OCCOC1CCOCC1	ZINC001588540063	958958475	/nfs/dbraw/zinc/95/84/75/958958475.db2.gz	OMBZCKRYHCYJAK-ZDUSSCGKSA-N	-1	0	285.296	0.730	20	30		CCEDRM
C#CC[C@@H](NC(=O)c1ccc([N+](=O)[O-])cc1)C(=O)[O-]	ZINC000149609376	959019647	/nfs/dbraw/zinc/01/96/47/959019647.db2.gz	NZAFHFDBOAFASQ-SNVBAGLBSA-N	-1	0	262.221	0.801	20	30		CCEDRM
C#CC[C@H](NC(=O)COc1ccc(F)cc1F)C(=O)[O-]	ZINC000149626985	959020631	/nfs/dbraw/zinc/02/06/31/959020631.db2.gz	LPKAMFCUCKISIU-JTQLQIEISA-N	-1	0	283.230	0.936	20	30		CCEDRM
C#CC[C@H](NC(=O)c1cc(Cl)ccn1)C(=O)[O-]	ZINC000149766015	959025526	/nfs/dbraw/zinc/02/55/26/959025526.db2.gz	XTMQLKOZVZPVAN-QMMMGPOBSA-N	-1	0	252.657	0.941	20	30		CCEDRM
C#CC[C@@H](NC(=O)c1ccc2c(c1)OCC(=O)N2)C(=O)[O-]	ZINC000149734521	959025561	/nfs/dbraw/zinc/02/55/61/959025561.db2.gz	OAIRVCWUWRKNKE-SNVBAGLBSA-N	-1	0	288.259	0.224	20	30		CCEDRM
C#CC[C@@H](NS(=O)(=O)c1cccc([N+](=O)[O-])c1)C(=O)[O-]	ZINC000159566187	959119645	/nfs/dbraw/zinc/11/96/45/959119645.db2.gz	RCRAPNZHFOULJF-SNVBAGLBSA-N	-1	0	298.276	0.350	20	30		CCEDRM
C#CC[C@H](NS(=O)(=O)C1CCCCC1)C(=O)[O-]	ZINC000161267493	959180102	/nfs/dbraw/zinc/18/01/02/959180102.db2.gz	VRZCVSHVHOSOCY-JTQLQIEISA-N	-1	0	259.327	0.715	20	30		CCEDRM
C=CC[C@H](C)NC(=O)NCCn1cc(C(=O)[O-])nn1	ZINC000163135464	959226425	/nfs/dbraw/zinc/22/64/25/959226425.db2.gz	GALPVYQBRXCQLN-QMMMGPOBSA-N	-1	0	267.289	0.240	20	30		CCEDRM
C#C[C@H](C)NS(=O)(=O)c1scnc1C(=O)[O-]	ZINC000166342728	959305259	/nfs/dbraw/zinc/30/52/59/959305259.db2.gz	UVDOZPWLLKEFBC-YFKPBYRVSA-N	-1	0	260.296	0.141	20	30		CCEDRM
Cc1nc([C@@H](C)OC(=O)[C@@](C)(C#N)CC(=O)[O-])no1	ZINC001594449651	959354209	/nfs/dbraw/zinc/35/42/09/959354209.db2.gz	GFZIBTRIUVTHRL-KSBSHMNSSA-N	-1	0	267.241	0.987	20	30		CCEDRM
C[C@@H]1C[C@@]1(C(=O)[O-])C(=O)NC[C@@H]1CCCN(CC#N)C1	ZINC001594225471	959421178	/nfs/dbraw/zinc/42/11/78/959421178.db2.gz	MESJIDAXAKAHAA-SUNKGSAMSA-N	-1	0	279.340	0.449	20	30		CCEDRM
CC(C)(C#N)CC(=O)N1C[C@@H]2COC[C@]2(C(=O)[O-])C1	ZINC001588606083	959475244	/nfs/dbraw/zinc/47/52/44/959475244.db2.gz	BOUYEPZOVKMNAZ-NOZJJQNGSA-N	-1	0	266.297	0.486	20	30		CCEDRM
Cc1nc2ccc(NC(=O)[C@@](C)(C#N)CC(=O)[O-])cn2n1	ZINC001594464259	959493307	/nfs/dbraw/zinc/49/33/07/959493307.db2.gz	OSXDFWXKVURMTE-CYBMUJFWSA-N	-1	0	287.279	0.981	20	30		CCEDRM
CC(C)(C#N)CS(=O)(=O)N(CC(=O)[O-])CC1CC1	ZINC001588607744	959495592	/nfs/dbraw/zinc/49/55/92/959495592.db2.gz	QPYOWXMEALSFOD-UHFFFAOYSA-N	-1	0	274.342	0.663	20	30		CCEDRM
CC(C)(C(=O)[O-])n1cc(Nc2ccnc(C#N)n2)cn1	ZINC001588620335	959539613	/nfs/dbraw/zinc/53/96/13/959539613.db2.gz	QDJDUMCCWCUMHP-UHFFFAOYSA-N	-1	0	272.268	0.530	20	30		CCEDRM
CC(C)(C)[C@H](C#N)NC(=O)[C@@H]1CCCN(CC(=O)[O-])C1=O	ZINC001588630959	959607812	/nfs/dbraw/zinc/60/78/12/959607812.db2.gz	UFOVIHCJPAOQCC-UWVGGRQHSA-N	-1	0	295.339	0.364	20	30		CCEDRM
C#C[C@H](CC)NS(=O)(=O)c1ccc(C(=O)[O-])o1	ZINC000229871038	960099154	/nfs/dbraw/zinc/09/91/54/960099154.db2.gz	BSPROWPQMBEFHC-SSDOTTSWSA-N	-1	0	257.267	0.668	20	30		CCEDRM
C=CCCOCCNC(=O)N1C[C@@H](C)[C@H](C(=O)[O-])C1	ZINC000231837377	960209008	/nfs/dbraw/zinc/20/90/08/960209008.db2.gz	XMTXINDNEFMFLA-GHMZBOCLSA-N	-1	0	270.329	0.941	20	30		CCEDRM
C#CC[C@@H](NC(=O)c1nn(C)c2ccccc21)C(=O)[O-]	ZINC000231895605	960215363	/nfs/dbraw/zinc/21/53/63/960215363.db2.gz	LPXKYTRUNYPBQQ-SNVBAGLBSA-N	-1	0	271.276	0.780	20	30		CCEDRM
CC(C)(CNS(=O)(=O)c1cccnc1C#N)C(=O)[O-]	ZINC000232527955	960279693	/nfs/dbraw/zinc/27/96/93/960279693.db2.gz	XZDUVNNWLHDGIX-UHFFFAOYSA-N	-1	0	283.309	0.342	20	30		CCEDRM
CN([C@@H]1CCN(CC(=O)[O-])C1=O)[C@@H]1CCC[C@H]1C#N	ZINC001604101988	972503574	/nfs/dbraw/zinc/50/35/74/972503574.db2.gz	FPSUHICNZYIEQL-HBNTYKKESA-N	-1	0	265.313	0.296	20	30		CCEDRM
N#Cc1cccc(C(=O)N[C@@H](C[C@H]2CCCO2)C(=O)[O-])n1	ZINC001571035002	960518882	/nfs/dbraw/zinc/51/88/82/960518882.db2.gz	FWVYEUDQEIFYND-PWSUYJOCSA-N	-1	0	289.291	0.705	20	30		CCEDRM
N#Cc1cccc(C(=O)NC[C@H](C(=O)[O-])[C@H]2CCOC2)n1	ZINC001571036245	960536643	/nfs/dbraw/zinc/53/66/43/960536643.db2.gz	WUMVJYNBSWGQEL-ONGXEEELSA-N	-1	0	289.291	0.420	20	30		CCEDRM
CC[C@@H](NC(=O)[C@@](C)(C#N)CC(=O)[O-])c1noc(C)n1	ZINC001573808357	960863753	/nfs/dbraw/zinc/86/37/53/960863753.db2.gz	CDNWIORUNFVZRF-PRHODGIISA-N	-1	0	280.284	0.950	20	30		CCEDRM
CCOC(=O)CC[C@H](C)NC(=O)[C@](C)(C#N)CC(=O)[O-]	ZINC001573894216	961370187	/nfs/dbraw/zinc/37/01/87/961370187.db2.gz	AMQLUUVVAQMLPK-ZANVPECISA-N	-1	0	284.312	0.839	20	30		CCEDRM
N#CCC1CCN(C(=O)c2cn(CC(=O)[O-])nn2)CC1	ZINC001574480598	961665837	/nfs/dbraw/zinc/66/58/37/961665837.db2.gz	MPLPKNFWXKGEFT-UHFFFAOYSA-N	-1	0	277.284	0.129	20	30		CCEDRM
N#Cc1ccc(NC(=O)N2CCO[C@@H](C(=O)[O-])C2)nc1	ZINC001574488153	961692523	/nfs/dbraw/zinc/69/25/23/961692523.db2.gz	LOLCYMDGFGICCA-SECBINFHSA-N	-1	0	276.252	0.271	20	30		CCEDRM
N#Cc1ccc(F)c(C(=O)Nc2ncn(CC(=O)[O-])n2)c1	ZINC001574488626	961697750	/nfs/dbraw/zinc/69/77/50/961697750.db2.gz	UENALQGHGDPANV-UHFFFAOYSA-N	-1	0	289.226	0.626	20	30		CCEDRM
N#Cc1cccc(OCC(=O)Nc2cc(C(=O)[O-])n[nH]2)c1	ZINC001574490091	961710184	/nfs/dbraw/zinc/71/01/84/961710184.db2.gz	VPAOWIPJTPLVMY-UHFFFAOYSA-N	-1	0	286.247	0.997	20	30		CCEDRM
N#Cc1cnn(C(=O)[C@H]2CO[C@H](CCC(=O)[O-])C2)c1N	ZINC001574493532	961720628	/nfs/dbraw/zinc/72/06/28/961720628.db2.gz	MZEPJJZTXLCGQS-VXNVDRBHSA-N	-1	0	278.268	0.247	20	30		CCEDRM
Cc1cc(NC(=O)N2CCO[C@H](C(=O)[O-])C2)ncc1C#N	ZINC001574141114	962574846	/nfs/dbraw/zinc/57/48/46/962574846.db2.gz	IKELQWDWLRJULY-JTQLQIEISA-N	-1	0	290.279	0.579	20	30		CCEDRM
C#CC[C@H](NC(=O)Cn1ccc(=O)c2ccccc21)C(=O)[O-]	ZINC001573301784	962636483	/nfs/dbraw/zinc/63/64/83/962636483.db2.gz	FGYWUPHXXBRPDF-LBPRGKRZSA-N	-1	0	298.298	0.594	20	30		CCEDRM
C#C[C@@H]1CCCCN1S(=O)(=O)c1n[nH]c(C)c1C(=O)[O-]	ZINC001573302163	962646736	/nfs/dbraw/zinc/64/67/36/962646736.db2.gz	KLHKYCGZFBORCL-SECBINFHSA-N	-1	0	297.336	0.593	20	30		CCEDRM
C#C[C@@H]1CCCCN1C(=O)[C@H]1CC[C@@H](C(=O)[O-])O1	ZINC001573302718	962661300	/nfs/dbraw/zinc/66/13/00/962661300.db2.gz	PFQUBPNAGLNGHM-MXWKQRLJSA-N	-1	0	251.282	0.633	20	30		CCEDRM
C#CC[C@@H](NS(=O)(=O)c1ccc(F)cc1C#N)C(=O)[O-]	ZINC001573303457	962677107	/nfs/dbraw/zinc/67/71/07/962677107.db2.gz	OFIRFFMGBWHFQL-SNVBAGLBSA-N	-1	0	296.279	0.452	20	30		CCEDRM
C=C(C)C[C@@H](NS(=O)(=O)c1cccnc1C#N)C(=O)[O-]	ZINC001573324586	962786454	/nfs/dbraw/zinc/78/64/54/962786454.db2.gz	VBMGMGDBWIGHIB-SECBINFHSA-N	-1	0	295.320	0.651	20	30		CCEDRM
C=C(Cl)CN1CCC[C@H](NC(=O)CNC(=O)[O-])[C@H]1C	ZINC001573338909	962883155	/nfs/dbraw/zinc/88/31/55/962883155.db2.gz	KLPSOABMEDHVTJ-ZJUUUORDSA-N	-1	0	289.763	0.976	20	30		CCEDRM
C=C1CC(C)(C(=O)NC[C@]2(C(=O)[O-])CCOC2)C1	ZINC001573343860	962909908	/nfs/dbraw/zinc/90/99/08/962909908.db2.gz	KGLWRVUJZAQCKM-CYBMUJFWSA-N	-1	0	253.298	0.950	20	30		CCEDRM
C=C(Cl)CN1CC[C@H](NC(=O)CNC(=O)[O-])[C@H]1CC	ZINC001573343843	962909924	/nfs/dbraw/zinc/90/99/24/962909924.db2.gz	KCYKAOMXBJYXLF-VHSXEESVSA-N	-1	0	289.763	0.976	20	30		CCEDRM
C=CC(C)(C)C(=O)N[C@@H](C)CNc1ccnc(C(=O)[O-])n1	ZINC001573347077	962945324	/nfs/dbraw/zinc/94/53/24/962945324.db2.gz	IQRGTRAJNDKCKD-VIFPVBQESA-N	-1	0	292.339	0.726	20	30		CCEDRM
C=CCCOCC(=O)O[C@@H](C)c1cn(CC(=O)[O-])nn1	ZINC001573360053	963030307	/nfs/dbraw/zinc/03/03/07/963030307.db2.gz	FGQOJSOHEWHOEJ-VIFPVBQESA-N	-1	0	283.284	0.560	20	30		CCEDRM
C[C@@H](C#N)CNC(=O)N1C[C@@H](C(=O)[O-])[C@H](C2CC2)C1	ZINC001573365448	963055900	/nfs/dbraw/zinc/05/59/00/963055900.db2.gz	UYZHPWZFZOEZHA-INTQDDNPSA-N	-1	0	265.313	0.898	20	30		CCEDRM
C=CCOC[C@@H](NC(=O)CCC(C)(C)[N+](=O)[O-])C(=O)[O-]	ZINC001573368131	963075630	/nfs/dbraw/zinc/07/56/30/963075630.db2.gz	ATONCPAYNQSRAQ-SECBINFHSA-N	-1	0	288.300	0.594	20	30		CCEDRM
C=CCOC[C@@H](NCc1ccn(CC)n1)C(=O)[O-]	ZINC001573368517	963080999	/nfs/dbraw/zinc/08/09/99/963080999.db2.gz	GGEVGQKFZJGROR-LLVKDONJSA-N	-1	0	253.302	0.648	20	30		CCEDRM
COC[C@@](C)(NC(=O)c1cc(C#N)[nH]c1C)C(=O)[O-]	ZINC001570984430	963110344	/nfs/dbraw/zinc/11/03/44/963110344.db2.gz	CGFZQZDFPMJTCS-GFCCVEGCSA-N	-1	0	265.269	0.414	20	30		CCEDRM
N#Cc1cc(C(=O)N2CCC(C#N)(C(=O)[O-])CC2)co1	ZINC001570999770	963212436	/nfs/dbraw/zinc/21/24/36/963212436.db2.gz	QWVMENCZXBMAFL-UHFFFAOYSA-N	-1	0	273.248	0.982	20	30		CCEDRM
C#CCN(CC(=O)[O-])CC(=O)N(C)c1ccccc1	ZINC000092482561	967596456	/nfs/dbraw/zinc/59/64/56/967596456.db2.gz	PCYWLOFTDCXTON-UHFFFAOYSA-N	-1	0	260.293	0.669	20	30		CCEDRM
C#CCN(CC(=O)[O-])C(=O)c1nn(C)c2ccccc12	ZINC000231894964	967739630	/nfs/dbraw/zinc/73/96/30/967739630.db2.gz	JFSHRPZWVRDUKU-UHFFFAOYSA-N	-1	0	271.276	0.733	20	30		CCEDRM
C#CCN(CC(=O)[O-])C(=O)N[C@@H]1C[C@@H](C)O[C@@H]1C	ZINC000394970322	968220785	/nfs/dbraw/zinc/22/07/85/968220785.db2.gz	AGUQKEWXBSGAQU-OPRDCNLKSA-N	-1	0	254.286	0.282	20	30		CCEDRM
N#Cc1ncc(NCC2(C(=O)[O-])CCC2)nc1C#N	ZINC001574248217	969850480	/nfs/dbraw/zinc/85/04/80/969850480.db2.gz	GJSNJKSKSHLLKC-UHFFFAOYSA-N	-1	0	257.253	0.887	20	30		CCEDRM
C[C@@H](C(=O)[O-])C(=O)OCC(=O)N(C)C1(C#N)CCCCC1	ZINC001609706442	970482370	/nfs/dbraw/zinc/48/23/70/970482370.db2.gz	TVDFTPLJTFEICJ-JTQLQIEISA-N	-1	0	296.323	0.935	20	30		CCEDRM
COC(=O)C1(C#N)CCN(C(=O)C(C)(C)C(=O)[O-])CC1	ZINC001604272236	972832808	/nfs/dbraw/zinc/83/28/08/972832808.db2.gz	UIQBSPREGBZJPZ-UHFFFAOYSA-N	-1	0	282.296	0.403	20	30		CCEDRM
C[C@@H]1C[C@H](CNC(=O)[C@](C)(C#N)CC(=O)[O-])[C@@H](C)O1	ZINC001603376307	972938652	/nfs/dbraw/zinc/93/86/52/972938652.db2.gz	WNBFNGARAZZWPW-PRFIWBCESA-N	-1	0	268.313	0.921	20	30		CCEDRM
O=C([O-])CCNN=Cc1cn(-c2ccc(F)cc2)nn1	ZINC001606201235	973449956	/nfs/dbraw/zinc/44/99/56/973449956.db2.gz	CXEWMGNFLGHEMA-UHFFFAOYSA-N	-1	0	277.259	0.805	20	30		CCEDRM
Cc1nsc(NC(=O)N[C@@]2(C(=O)[O-])CCOC2)c1C#N	ZINC001605455203	973542025	/nfs/dbraw/zinc/54/20/25/973542025.db2.gz	AOHUZXFDLNFITA-NSHDSACASA-N	-1	0	296.308	0.688	20	30		CCEDRM
Cc1nc(N2C[C@H](C(=O)[O-])C[C@H](O)C2)ccc1C#N	ZINC000401970218	973575929	/nfs/dbraw/zinc/57/59/29/973575929.db2.gz	LDAFEEPWPTVOQC-MNOVXSKESA-N	-1	0	261.281	0.534	20	30		CCEDRM
Cc1ccc(C#N)c(N2C[C@H](C(=O)[O-])C[C@H](O)C2)n1	ZINC000401973175	973580707	/nfs/dbraw/zinc/58/07/07/973580707.db2.gz	PMWJNFWUELZKAC-MNOVXSKESA-N	-1	0	261.281	0.534	20	30		CCEDRM
COCCN(CC(=O)[O-])C(=O)c1cscc1C#N	ZINC001604592630	973682760	/nfs/dbraw/zinc/68/27/60/973682760.db2.gz	RVSCSIMDJHSAPB-UHFFFAOYSA-N	-1	0	268.294	0.793	20	30		CCEDRM
N#CCC1(CNC(=O)[C@]2(C(=O)[O-])CCCO2)CC1	ZINC001605581799	973862187	/nfs/dbraw/zinc/86/21/87/973862187.db2.gz	MOBNLOQISAENOY-LBPRGKRZSA-N	-1	0	252.270	0.430	20	30		CCEDRM
N#CC1CN(C(=O)c2cccc(OCC(=O)[O-])c2)C1	ZINC001605582886	973868916	/nfs/dbraw/zinc/86/89/16/973868916.db2.gz	ICVOFSPUPITKPR-UHFFFAOYSA-N	-1	0	260.249	0.746	20	30		CCEDRM
N#C[C@]1(F)CCN(C(=O)C2(C(=O)[O-])CCOCC2)C1	ZINC001605582853	973868973	/nfs/dbraw/zinc/86/89/73/973868973.db2.gz	GLVIHSKCUMWRON-LLVKDONJSA-N	-1	0	270.260	0.332	20	30		CCEDRM
COc1cc(C#N)cc(O[C@@H]2CCN(CC(=O)[O-])C2=O)c1	ZINC001604685061	973879538	/nfs/dbraw/zinc/87/95/38/973879538.db2.gz	MCJJHVUITBVTQP-GFCCVEGCSA-N	-1	0	290.275	0.631	20	30		CCEDRM
N#Cc1ccc(C(=O)N[C@@]2(C(=O)[O-])CCOC2)cc1O	ZINC001605597229	973896688	/nfs/dbraw/zinc/89/66/88/973896688.db2.gz	HYRLZKHQPDPDGV-ZDUSSCGKSA-N	-1	0	276.248	0.237	20	30		CCEDRM
N#Cc1cc(N2C[C@H](O)C[C@@H](C(=O)[O-])C2)c([N+](=O)[O-])s1	ZINC000407258419	973921661	/nfs/dbraw/zinc/92/16/61/973921661.db2.gz	FTBILAOFHSBBMO-RNFRBKRXSA-N	-1	0	297.292	0.800	20	30		CCEDRM
N#Cc1csc(CNC(=O)[C@]2(C(=O)[O-])CCCO2)n1	ZINC001605626252	973952702	/nfs/dbraw/zinc/95/27/02/973952702.db2.gz	HOXGIMSESGFFGB-NSHDSACASA-N	-1	0	281.293	0.265	20	30		CCEDRM
CC(C)[C@H](C#N)NC(=O)COCc1ocnc1C(=O)[O-]	ZINC001591852329	976134978	/nfs/dbraw/zinc/13/49/78/976134978.db2.gz	JKBKAVKQKPVBSD-QMMMGPOBSA-N	-1	0	281.268	0.554	20	30		CCEDRM
CC(C)c1noc(CCC(=O)N(CC#N)CCC(=O)[O-])n1	ZINC001592093690	976847751	/nfs/dbraw/zinc/84/77/51/976847751.db2.gz	MUGNNUFEMXDRAO-UHFFFAOYSA-N	-1	0	294.311	0.952	20	30		CCEDRM
C[C@H](CC#N)C(=O)N[C@H](C(=O)[O-])c1ccnn1C	ZINC001592210237	977253576	/nfs/dbraw/zinc/25/35/76/977253576.db2.gz	BTTGSPKGSPYBCC-APPZFPTMSA-N	-1	0	250.258	0.212	20	30		CCEDRM
C[C@H](CC(=O)[O-])CC(=O)NCCNc1ccc(C#N)cn1	ZINC001592388570	977934432	/nfs/dbraw/zinc/93/44/32/977934432.db2.gz	YLEQSLKBBKKAEI-JTQLQIEISA-N	-1	0	290.323	0.982	20	30		CCEDRM
C[C@@H](CC=NNC(=S)NC[C@@H]1CCCO1)C(=O)[O-]	ZINC001592470391	978221691	/nfs/dbraw/zinc/22/16/91/978221691.db2.gz	HUILJBAHPIDIEC-IUCAKERBSA-N	-1	0	273.358	0.726	20	30		CCEDRM
C[C@@](CCF)(NS(=O)(=O)c1ccc(C#N)o1)C(=O)[O-]	ZINC001592507470	978326063	/nfs/dbraw/zinc/32/60/63/978326063.db2.gz	KGQRAVTTYBLHGE-JTQLQIEISA-N	-1	0	290.272	0.632	20	30		CCEDRM
C[C@](CO)(NC(=O)C#Cc1cccs1)C(=O)[O-]	ZINC001592733833	979255462	/nfs/dbraw/zinc/25/54/62/979255462.db2.gz	HHNRMSVYSUVDPC-LLVKDONJSA-N	-1	0	253.279	0.051	20	30		CCEDRM
CC[C@](COC)(NC(=O)c1cc(C#N)[nH]c1C)C(=O)[O-]	ZINC001595188084	979853389	/nfs/dbraw/zinc/85/33/89/979853389.db2.gz	FMDBXDWWMRQABZ-CYBMUJFWSA-N	-1	0	279.296	0.804	20	30		CCEDRM
CC[C@@](COC)(NCC(=O)NC1(C#N)CCC1)C(=O)[O-]	ZINC001595195332	979913109	/nfs/dbraw/zinc/91/31/09/979913109.db2.gz	QJWONLVUEQFHFT-ZDUSSCGKSA-N	-1	0	283.328	0.018	20	30		CCEDRM
CCC[C@@H](O)Cn1cc(C(=O)[O-])cc(C#N)c1=O	ZINC001595606955	981594910	/nfs/dbraw/zinc/59/49/10/981594910.db2.gz	GDGPMSMVICOVRS-SNVBAGLBSA-N	-1	0	250.254	0.579	20	30		CCEDRM
CC[C@@H](C(=O)[O-])C(=O)N1CCN([C@H](C#N)C(C)C)CC1	ZINC001594745112	981629523	/nfs/dbraw/zinc/62/95/23/981629523.db2.gz	LCHFRLPVAUVKOY-VXGBXAGGSA-N	-1	0	281.356	0.790	20	30		CCEDRM
CC[C@@](C)(C#N)NC(=O)COCc1ocnc1C(=O)[O-]	ZINC001594777969	981771990	/nfs/dbraw/zinc/77/19/90/981771990.db2.gz	HAEDMKNIDFBAOH-LBPRGKRZSA-N	-1	0	281.268	0.698	20	30		CCEDRM
CCCC[C@H](NC(N)=O)C(=O)N(CC#N)CCC(=O)[O-]	ZINC001595637664	981933968	/nfs/dbraw/zinc/93/39/68/981933968.db2.gz	OAATYAAZTQOOGJ-VIFPVBQESA-N	-1	0	284.316	0.040	20	30		CCEDRM
CCC(C)(C)n1nnnc1N(CC#N)CCC(=O)[O-]	ZINC001594815716	981945321	/nfs/dbraw/zinc/94/53/21/981945321.db2.gz	LGFSACNTYOEDIA-UHFFFAOYSA-N	-1	0	266.305	0.623	20	30		CCEDRM
CCCc1c(C(=O)N[C@@H](C#N)CO)[nH]c(C)c1C(=O)[O-]	ZINC001596036470	983314041	/nfs/dbraw/zinc/31/40/41/983314041.db2.gz	KOENQRCQWLFZCT-QMMMGPOBSA-N	-1	0	279.296	0.588	20	30		CCEDRM
C#C[C@H](NC(=O)NCCn1cc(C(=O)[O-])nn1)C(C)(C)C	ZINC001588372679	983333107	/nfs/dbraw/zinc/33/31/07/983333107.db2.gz	QNBBEPWRCXLRGG-JTQLQIEISA-N	-1	0	293.327	0.323	20	30		CCEDRM
C#C[C@@H](NC(=O)NCc1ccc(C(=O)[O-])o1)[C@@H]1CCCO1	ZINC001588373198	983337346	/nfs/dbraw/zinc/33/73/46/983337346.db2.gz	BJVJQTSJNLRKEI-MNOVXSKESA-N	-1	0	292.291	0.958	20	30		CCEDRM
C#C[C@H](Nc1ccnc(C(=O)[O-])n1)C1CCOCC1	ZINC001588375603	983346036	/nfs/dbraw/zinc/34/60/36/983346036.db2.gz	CSMSPTNCWPLRIE-JTQLQIEISA-N	-1	0	261.281	0.437	20	30		CCEDRM
C#CC1(F)CN(C(=O)COCc2ocnc2C(=O)[O-])C1	ZINC001588375818	983347543	/nfs/dbraw/zinc/34/75/43/983347543.db2.gz	KDXIQCZFHMONET-UHFFFAOYSA-N	-1	0	282.227	0.073	20	30		CCEDRM
C#CC1(O)CN([C@@H](C)c2ncc(C(=O)[O-])s2)C1	ZINC001588382309	983370343	/nfs/dbraw/zinc/37/03/43/983370343.db2.gz	MGTOJXFHKJQWAD-ZETCQYMHSA-N	-1	0	252.295	0.582	20	30		CCEDRM
C#CC1CCN(C(=O)C(=O)N2CC[C@](C)(C(=O)[O-])C2)CC1	ZINC001588382717	983374007	/nfs/dbraw/zinc/37/40/07/983374007.db2.gz	GBOYEYBEXCCCRP-HNNXBMFYSA-N	-1	0	292.335	0.181	20	30		CCEDRM
C#CC1CCN(C(=O)C(=O)N2CC[C@@](C)(C(=O)[O-])C2)CC1	ZINC001588382718	983374052	/nfs/dbraw/zinc/37/40/52/983374052.db2.gz	GBOYEYBEXCCCRP-OAHLLOKOSA-N	-1	0	292.335	0.181	20	30		CCEDRM
C#CC[C@@H](CCOC)NS(=O)(=O)CC1(C(=O)[O-])CC1	ZINC001588394154	983401963	/nfs/dbraw/zinc/40/19/63/983401963.db2.gz	MZYISPIMDUZHEK-JTQLQIEISA-N	-1	0	289.353	0.199	20	30		CCEDRM
C#CC[C@H](COC)OC(=O)Cn1ccc(C(=O)[O-])n1	ZINC001588396227	983407812	/nfs/dbraw/zinc/40/78/12/983407812.db2.gz	WTIBQQAPAUKSRB-SECBINFHSA-N	-1	0	266.253	0.163	20	30		CCEDRM
C#CC[C@@H](NC(=O)C1(c2ccccc2)CC(=O)C1)C(=O)[O-]	ZINC001588399652	983416297	/nfs/dbraw/zinc/41/62/97/983416297.db2.gz	WLIMGRUQLPJWLF-CYBMUJFWSA-N	-1	0	285.299	0.880	20	30		CCEDRM
C#CC[C@H](NC(=O)[C@@H]1CCC[C@@H](OC)C1)C(=O)[O-]	ZINC001588406464	983425647	/nfs/dbraw/zinc/42/56/47/983425647.db2.gz	QRYMZUFTXSJXSM-MXWKQRLJSA-N	-1	0	253.298	0.784	20	30		CCEDRM
C#CC[C@@H](NC(=O)CCCNC(=O)OC(C)(C)C)C(=O)[O-]	ZINC001588406653	983425918	/nfs/dbraw/zinc/42/59/18/983425918.db2.gz	RVYYADXLOYWPOV-SNVBAGLBSA-N	-1	0	298.339	0.884	20	30		CCEDRM
C#CC[C@H](NC(=O)[C@@H]1Cc2ccccc2C(=O)O1)C(=O)[O-]	ZINC001588407133	983427194	/nfs/dbraw/zinc/42/71/94/983427194.db2.gz	WSPAOBCQQPNASQ-RYUDHWBXSA-N	-1	0	287.271	0.361	20	30		CCEDRM
C#CC[C@H](NC(=O)c1cc(C)n(C(C)C)n1)C(=O)[O-]	ZINC001588414519	983434122	/nfs/dbraw/zinc/43/41/22/983434122.db2.gz	VFAMSPHIEMUNPE-JTQLQIEISA-N	-1	0	263.297	0.979	20	30		CCEDRM
C#CC[C@@H](NC(=O)c1cnc(C2CC2)[nH]c1=O)C(=O)[O-]	ZINC001588415841	983435678	/nfs/dbraw/zinc/43/56/78/983435678.db2.gz	GLGCFHBYOHXFLL-SECBINFHSA-N	-1	0	275.264	0.266	20	30		CCEDRM
C#CC[C@@H](NC(=O)c1ccncc1NC(C)=O)C(=O)[O-]	ZINC001588416549	983437231	/nfs/dbraw/zinc/43/72/31/983437231.db2.gz	PMAYVJATDQJDLY-SNVBAGLBSA-N	-1	0	275.264	0.246	20	30		CCEDRM
C#CC[C@H](NC(=O)c1cncc2[nH]ccc21)C(=O)[O-]	ZINC001588416766	983437607	/nfs/dbraw/zinc/43/76/07/983437607.db2.gz	QXTUTFCSAZZHFH-JTQLQIEISA-N	-1	0	257.249	0.769	20	30		CCEDRM
C#CC[C@@H](NC(=O)c1cnc(SC)[nH]c1=O)C(=O)[O-]	ZINC001588417036	983438217	/nfs/dbraw/zinc/43/82/17/983438217.db2.gz	VOEGUNBXYPJBPF-SSDOTTSWSA-N	-1	0	281.293	0.110	20	30		CCEDRM
C#CC[C@H](NC(=O)c1ccccc1C(=O)OC)C(=O)[O-]	ZINC001588417099	983438559	/nfs/dbraw/zinc/43/85/59/983438559.db2.gz	XQOHXIVXXJRZKF-NSHDSACASA-N	-1	0	275.260	0.680	20	30		CCEDRM
C#CCC1(C(=O)NC[C@@H](O)CC(=O)[O-])CCCCC1	ZINC001588428559	983462592	/nfs/dbraw/zinc/46/25/92/983462592.db2.gz	SMYBIGHHJICBHY-NSHDSACASA-N	-1	0	267.325	0.912	20	30		CCEDRM
C#CC[C@@H]1NC(=O)N(Cc2ncc(C(=O)[O-])s2)C1=O	ZINC001588434433	983470056	/nfs/dbraw/zinc/47/00/56/983470056.db2.gz	JXVSISAWTOHTQK-LURJTMIESA-N	-1	0	279.277	0.285	20	30		CCEDRM
C#CCCOc1ccc(C(=O)NCCOCC(=O)[O-])cc1	ZINC001588455244	983479041	/nfs/dbraw/zinc/47/90/41/983479041.db2.gz	IGAYGFVDFRINGX-UHFFFAOYSA-N	-1	0	291.303	0.920	20	30		CCEDRM
C#CCCOC(=O)N[C@@H](C(=O)[O-])c1ccn(C)n1	ZINC001588456059	983481182	/nfs/dbraw/zinc/48/11/82/983481182.db2.gz	YTFPMADUGMAZHS-SECBINFHSA-N	-1	0	251.242	0.295	20	30		CCEDRM
C#CCN(CC#N)Cc1c(C)nn(CCC(=O)[O-])c1C	ZINC001588464684	983493855	/nfs/dbraw/zinc/49/38/55/983493855.db2.gz	CUIFYWHUFLKLBT-UHFFFAOYSA-N	-1	0	274.324	0.933	20	30		CCEDRM
C#CCN(CC#CC)C(=O)C(=O)Nc1ccccc1C(=O)[O-]	ZINC001588464791	983494464	/nfs/dbraw/zinc/49/44/64/983494464.db2.gz	LKCDAKJTDHXIKX-UHFFFAOYSA-N	-1	0	298.298	0.808	20	30		CCEDRM
C#CCN(CC1CC1)CN1C[C@@H](C(=O)[O-])OC1=O	ZINC001588468557	983500758	/nfs/dbraw/zinc/50/07/58/983500758.db2.gz	ZAFWDBWFARIFLX-JTQLQIEISA-N	-1	0	252.270	0.195	20	30		CCEDRM
C#CCNC(=O)N1CCN(c2ccc(C(=O)[O-])s2)CC1	ZINC001588483606	983521544	/nfs/dbraw/zinc/52/15/44/983521544.db2.gz	DCCKXHMKSNWZAC-UHFFFAOYSA-N	-1	0	293.348	0.911	20	30		CCEDRM
C#CCO[C@H](C)C(=O)N[C@H]1C[C@H]2C[C@H](C(=O)[O-])C[C@H]21	ZINC001588490481	983532645	/nfs/dbraw/zinc/53/26/45/983532645.db2.gz	NVGAOPWBWHPHPE-ZIQFBCGOSA-N	-1	0	265.309	0.640	20	30		CCEDRM
C#CCO[C@H](C)C(=O)N([C@@H](C)C(=O)[O-])C1CCC1	ZINC001588490699	983533688	/nfs/dbraw/zinc/53/36/88/983533688.db2.gz	VUJKBYKHHAMZEA-VHSXEESVSA-N	-1	0	253.298	0.879	20	30		CCEDRM
C#CCO[C@H](C)C(=O)NCc1ocnc1C(=O)[O-]	ZINC001588490802	983534180	/nfs/dbraw/zinc/53/41/80/983534180.db2.gz	YSFKHGULHXJQJB-SSDOTTSWSA-N	-1	0	252.226	0.027	20	30		CCEDRM
C#CCOc1ccccc1OCc1cn(CC(=O)[O-])nn1	ZINC001588504784	983548956	/nfs/dbraw/zinc/54/89/56/983548956.db2.gz	LCZDAGPPSLPBBV-UHFFFAOYSA-N	-1	0	287.275	0.954	20	30		CCEDRM
C#CCSCC(=O)O[C@@H](C)c1cn(CC(=O)[O-])nn1	ZINC001588506341	983551601	/nfs/dbraw/zinc/55/16/01/983551601.db2.gz	QGVUFGPSCCIZAL-QMMMGPOBSA-N	-1	0	283.309	0.333	20	30		CCEDRM
C#Cc1ccc(NC(=O)CCN(CC#N)CC(=O)[O-])cc1	ZINC001588516885	983562591	/nfs/dbraw/zinc/56/25/91/983562591.db2.gz	GSNAAOFFMLCJRU-UHFFFAOYSA-N	-1	0	285.303	0.907	20	30		CCEDRM
C#Cc1cccc(CNC(=O)N2CC(O)(C(=O)[O-])C2)c1	ZINC001588518029	983567868	/nfs/dbraw/zinc/56/78/68/983567868.db2.gz	NASDYXAPKJEZGB-UHFFFAOYSA-N	-1	0	274.276	0.009	20	30		CCEDRM
C#Cc1ccccc1CC(=O)N1CCC[C@H](O)[C@H]1C(=O)[O-]	ZINC001588524545	983575470	/nfs/dbraw/zinc/57/54/70/983575470.db2.gz	NGAMNEVHZHENBC-ZFWWWQNUSA-N	-1	0	287.315	0.647	20	30		CCEDRM
C#Cc1ccccc1CC(=O)N1C[C@H](C(=O)[O-])C[C@H](O)C1	ZINC001588524900	983576758	/nfs/dbraw/zinc/57/67/58/983576758.db2.gz	YFHBQKWVRAXOJP-KGLIPLIRSA-N	-1	0	287.315	0.504	20	30		CCEDRM
C#Cc1cncc(C(=O)Nc2cnn(CC(=O)[O-])c2)c1	ZINC001588529154	983579924	/nfs/dbraw/zinc/57/99/24/983579924.db2.gz	QIXRQIWSIXCWBC-UHFFFAOYSA-N	-1	0	270.248	0.596	20	30		CCEDRM
C=C(C)[C@@H]1OCC[C@@H]1CNS(=O)(=O)C[C@H](C)C(=O)[O-]	ZINC001588536338	983593458	/nfs/dbraw/zinc/59/34/58/983593458.db2.gz	QXPAHJGHGNGKJV-AXFHLTTASA-N	-1	0	291.369	0.608	20	30		CCEDRM
C=C(C)C[C@H](NC(=O)[C@@H]1CCC[C@@H](C(N)=O)C1)C(=O)[O-]	ZINC001588537610	983600866	/nfs/dbraw/zinc/60/08/66/983600866.db2.gz	TWVKRHNQFHBFSS-MXWKQRLJSA-N	-1	0	282.340	0.814	20	30		CCEDRM
C=C(C)C[C@H](NC(=O)[C@@H]1CCN(C)C(=O)C1)C(=O)[O-]	ZINC001588540167	983603147	/nfs/dbraw/zinc/60/31/47/983603147.db2.gz	BGCYDAUJGDRISL-ZJUUUORDSA-N	-1	0	268.313	0.390	20	30		CCEDRM
C=C(C)C[C@@H](NC(=O)CCCNC(=O)OC)C(=O)[O-]	ZINC001588541140	983606434	/nfs/dbraw/zinc/60/64/34/983606434.db2.gz	SSIUJPMUIJSTGQ-SECBINFHSA-N	-1	0	272.301	0.658	20	30		CCEDRM
C=C(C)C[C@H](NC(=O)c1ccc(C(N)=O)cn1)C(=O)[O-]	ZINC001588546221	983614292	/nfs/dbraw/zinc/61/42/92/983614292.db2.gz	AXXDSDVEFYARLK-JTQLQIEISA-N	-1	0	277.280	0.330	20	30		CCEDRM
CCN(CC(=O)[O-])S(=O)(=O)Cc1ccc(CC#N)cc1	ZINC001596227330	983618789	/nfs/dbraw/zinc/61/87/89/983618789.db2.gz	VWBCGZVLTRZIJE-UHFFFAOYSA-N	-1	0	296.348	0.989	20	30		CCEDRM
C=C(C)CCC(=O)N1CC(=O)N(C)C[C@@H]1C(=O)[O-]	ZINC001588554344	983630098	/nfs/dbraw/zinc/63/00/98/983630098.db2.gz	DQOBLLUVUGOSCH-SECBINFHSA-N	-1	0	254.286	0.097	20	30		CCEDRM
C=C(C)C[C@@H](NS(=O)(=O)c1cnn(CC)c1)C(=O)[O-]	ZINC001588555399	983634619	/nfs/dbraw/zinc/63/46/19/983634619.db2.gz	HRCRJBABSLVPOF-SNVBAGLBSA-N	-1	0	287.341	0.601	20	30		CCEDRM
C=C(C)C[C@H](NS(=O)(=O)c1cncn1CC)C(=O)[O-]	ZINC001588555449	983635222	/nfs/dbraw/zinc/63/52/22/983635222.db2.gz	IYILCYVDGXLEGM-VIFPVBQESA-N	-1	0	287.341	0.601	20	30		CCEDRM
C=C(C)CN(C)C(=O)C(=O)N[C@H]1CC=C(C(=O)[O-])C1	ZINC001588561647	983642465	/nfs/dbraw/zinc/64/24/65/983642465.db2.gz	RZJOFWZOIHEWBS-JTQLQIEISA-N	-1	0	266.297	0.311	20	30		CCEDRM
C=C(C)CCn1nnnc1N1CCO[C@@H](CC(=O)[O-])C1	ZINC001588561700	983642830	/nfs/dbraw/zinc/64/28/30/983642830.db2.gz	YAPIYOILSMHXTK-JTQLQIEISA-N	-1	0	281.316	0.319	20	30		CCEDRM
C=C(C)COCCNC(=O)C(=O)N1CCC[C@@H]1CC(=O)[O-]	ZINC001588569784	983649906	/nfs/dbraw/zinc/64/99/06/983649906.db2.gz	KNAPGVSHRXTXAN-LLVKDONJSA-N	-1	0	298.339	0.161	20	30		CCEDRM
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)[O-]	ZINC001588598966	983687282	/nfs/dbraw/zinc/68/72/82/983687282.db2.gz	BACPCSCWMKEKLD-SRVKXCTJSA-N	-1	0	293.323	0.503	20	30		CCEDRM
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@H](Cc1c[nH]cn1)C(=O)[O-]	ZINC001588598967	983687353	/nfs/dbraw/zinc/68/73/53/983687353.db2.gz	BACPCSCWMKEKLD-TUAOUCFPSA-N	-1	0	293.323	0.503	20	30		CCEDRM
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@@H](CCOC)C(=O)[O-]	ZINC001588598955	983687421	/nfs/dbraw/zinc/68/74/21/983687421.db2.gz	AVWRODOPPXBLMC-DCAQKATOSA-N	-1	0	271.313	0.574	20	30		CCEDRM
C=C(C)[C@H]1OCC[C@H]1C(=O)O[C@@H](C)C(=O)NCC(=O)[O-]	ZINC001588605339	983692296	/nfs/dbraw/zinc/69/22/96/983692296.db2.gz	HQXIQRZHEGTURP-IQJOONFLSA-N	-1	0	285.296	0.100	20	30		CCEDRM
C=C(CCC(=O)[O-])C(=O)N1CCOC2(CCOCC2)C1	ZINC001588619160	983715045	/nfs/dbraw/zinc/71/50/45/983715045.db2.gz	MJMJOJBDUBBHOB-UHFFFAOYSA-N	-1	0	283.324	0.815	20	30		CCEDRM
C=C(CCC(=O)[O-])C(=O)NC[C@H](C(=O)OC)[C@H]1CCOC1	ZINC001588622956	983725857	/nfs/dbraw/zinc/72/58/57/983725857.db2.gz	HKGXYELECCWWAR-QWRGUYRKSA-N	-1	0	299.323	0.349	20	30		CCEDRM
CCN(CCC#N)C(=O)CN1CCC[C@]1(COC)C(=O)[O-]	ZINC001596299710	983725856	/nfs/dbraw/zinc/72/58/56/983725856.db2.gz	XBEWTQUFCCFMLS-AWEZNQCLSA-N	-1	0	297.355	0.314	20	30		CCEDRM
CCN(CCC#N)C(=O)C(=O)Nc1cc(C)[nH]c1C(=O)[O-]	ZINC001596299674	983725926	/nfs/dbraw/zinc/72/59/26/983725926.db2.gz	UJGOUDLHEWTTFY-UHFFFAOYSA-N	-1	0	292.295	0.722	20	30		CCEDRM
C=C(CCC(=O)[O-])C(=O)N[C@@H]1CCO[C@@]2(CCOC2)C1	ZINC001588623255	983727498	/nfs/dbraw/zinc/72/74/98/983727498.db2.gz	NOCFXZABXXSNRS-RISCZKNCSA-N	-1	0	283.324	0.862	20	30		CCEDRM
C=C(CCC(=O)[O-])C(=O)NCc1nnc2n1CCC2	ZINC001588630437	983744035	/nfs/dbraw/zinc/74/40/35/983744035.db2.gz	KWPLSZAAAKSPKJ-UHFFFAOYSA-N	-1	0	264.285	0.262	20	30		CCEDRM
C=C(CCC(=O)OC)C(=O)N[C@@H](C[C@@H]1CCCO1)C(=O)[O-]	ZINC001588633955	983751698	/nfs/dbraw/zinc/75/16/98/983751698.db2.gz	UTKDEOOLBKKGNM-QWRGUYRKSA-N	-1	0	299.323	0.634	20	30		CCEDRM
C=C(CCC(=O)OC)C(=O)N1C[C@H](C)O[C@H](C(=O)[O-])C1	ZINC001588634194	983752685	/nfs/dbraw/zinc/75/26/85/983752685.db2.gz	YHWJTBVSCCTZHK-UWVGGRQHSA-N	-1	0	285.296	0.196	20	30		CCEDRM
C=C[C@H](C(=O)[O-])[N@@H+]1CCC[C@H](c2n[nH]c(=O)[n-]2)C1	ZINC001588662824	983791902	/nfs/dbraw/zinc/79/19/02/983791902.db2.gz	HWLVWQYTTZWAFZ-JGVFFNPUSA-N	-1	0	252.274	0.329	20	30		CCEDRM
C=C[C@@H](C(=O)[O-])N(CC1CC1)[C@H](C(N)=O)C1CC1	ZINC001588664328	983799668	/nfs/dbraw/zinc/79/96/68/983799668.db2.gz	POIRZHYROGHAFR-QWRGUYRKSA-N	-1	0	252.314	0.602	20	30		CCEDRM
C=C[C@@H](C(=O)[O-])N1CCN(c2ncccc2[N+](=O)[O-])CC1	ZINC001588669749	983814451	/nfs/dbraw/zinc/81/44/51/983814451.db2.gz	OQLQMOPDTHIDPY-JTQLQIEISA-N	-1	0	292.295	0.751	20	30		CCEDRM
C=CC(C)(C)CCNC(=O)NCCC(=O)NCCC(=O)[O-]	ZINC001588677106	983833592	/nfs/dbraw/zinc/83/35/92/983833592.db2.gz	QTJAQBDXIUPHHO-UHFFFAOYSA-N	-1	0	299.371	0.869	20	30		CCEDRM
C=C[C@@](C)(O)CC(=O)N1CC[C@@]2(CC(C(=O)[O-])=NO2)C1	ZINC001588683687	983850663	/nfs/dbraw/zinc/85/06/63/983850663.db2.gz	BWRLFFDHZUJHDR-CHWSQXEVSA-N	-1	0	282.296	0.146	20	30		CCEDRM
C=C[C@](C)(O)CC(=O)N[C@]1(C(=O)[O-])CCSC1	ZINC001588684318	983857950	/nfs/dbraw/zinc/85/79/50/983857950.db2.gz	OPEJODDERBYKMH-WDEREUQCSA-N	-1	0	259.327	0.390	20	30		CCEDRM
C=C[C@@H](C)NS(=O)(=O)c1cncc(C(=O)[O-])c1	ZINC001588686825	983867618	/nfs/dbraw/zinc/86/76/18/983867618.db2.gz	GOTWNQRNMVTWGK-SSDOTTSWSA-N	-1	0	256.283	0.633	20	30		CCEDRM
C=C[C@@H](COC)NC(=O)N1C[C@@H](C)[C@H](C(=O)[O-])C1	ZINC001588692557	983883250	/nfs/dbraw/zinc/88/32/50/983883250.db2.gz	DRXQNYOZYDAOSY-KXUCPTDWSA-N	-1	0	256.302	0.550	20	30		CCEDRM
C=C[C@@H](O)C(=O)N1C[C@H](C(F)(F)F)C[C@H](C(=O)[O-])C1	ZINC001588702388	983920440	/nfs/dbraw/zinc/92/04/40/983920440.db2.gz	RRBYSLGVPMSUNB-XLPZGREQSA-N	-1	0	281.230	0.645	20	30		CCEDRM
C=C[C@H](O)C(=O)NCc1ccc(OC)c(C(=O)[O-])c1	ZINC001588704562	983924646	/nfs/dbraw/zinc/92/46/46/983924646.db2.gz	GLTQOSLSICOENP-JTQLQIEISA-N	-1	0	265.265	0.557	20	30		CCEDRM
C=C[C@@H](O)C(=O)N[C@H](C(=O)[O-])c1ccc(O)cc1	ZINC001588705558	983927496	/nfs/dbraw/zinc/92/74/96/983927496.db2.gz	ODVQPFGCONIIDI-ZJUUUORDSA-N	-1	0	251.238	0.181	20	30		CCEDRM
C=C[C@H](O)C(=O)Nc1ccn(C(C)(C)C(=O)[O-])n1	ZINC001588706412	983930803	/nfs/dbraw/zinc/93/08/03/983930803.db2.gz	ZCMNOFSXDZELRC-ZETCQYMHSA-N	-1	0	253.258	0.188	20	30		CCEDRM
C=C[C@@H](O)C(=O)OCC(=O)C(CC)(CC)C(=O)[O-]	ZINC001588706381	983930888	/nfs/dbraw/zinc/93/08/88/983930888.db2.gz	YPVJYMHRNKUYRS-MRVPVSSYSA-N	-1	0	258.270	0.537	20	30		CCEDRM
C=C[C@H](OC(=O)Cn1ccc(C(=O)[O-])n1)C(=O)OCC	ZINC001588710449	983932288	/nfs/dbraw/zinc/93/22/88/983932288.db2.gz	BKKSGMOIJPKBCA-VIFPVBQESA-N	-1	0	282.252	0.242	20	30		CCEDRM
C=C[C@H](OC(=O)CCCN1C(=O)CCC1=O)C(=O)[O-]	ZINC001588711016	983935617	/nfs/dbraw/zinc/93/56/17/983935617.db2.gz	KYSADECEDDAFRM-QMMMGPOBSA-N	-1	0	269.253	0.098	20	30		CCEDRM
C=C[C@@H](OC(=O)CNC(=O)Cc1cccc(F)c1)C(=O)[O-]	ZINC001588711999	983940958	/nfs/dbraw/zinc/94/09/58/983940958.db2.gz	SHBQMTJHQCRJKM-LLVKDONJSA-N	-1	0	295.266	0.667	20	30		CCEDRM
C=C[C@@H](OC(=O)[C@@H]1CC(=O)N(C2CC2)C1)C(=O)[O-]	ZINC001588712870	983947227	/nfs/dbraw/zinc/94/72/27/983947227.db2.gz	ZJVDYXVZNUQIRY-VXNVDRBHSA-N	-1	0	253.254	0.180	20	30		CCEDRM
C=CCC(CC=C)C(=O)N1C[C@H](O)C[C@@H]1C(=O)[O-]	ZINC001588737624	984029794	/nfs/dbraw/zinc/02/97/94/984029794.db2.gz	OQUHBBBEFOFRAO-GHMZBOCLSA-N	-1	0	253.298	0.801	20	30		CCEDRM
C=CC[C@H](CO)NC(=O)Nc1cc(C(=O)[O-])nn1C	ZINC001588743618	984038969	/nfs/dbraw/zinc/03/89/69/984038969.db2.gz	AQCHGNCABOBLBD-SSDOTTSWSA-N	-1	0	268.273	0.177	20	30		CCEDRM
C=CC[C@H](CO)NC(=O)c1ccc(C(=O)[O-])n1C	ZINC001588743823	984040251	/nfs/dbraw/zinc/04/02/51/984040251.db2.gz	DDDYFBCVHFIKNY-MRVPVSSYSA-N	-1	0	252.270	0.390	20	30		CCEDRM
C=CC[C@H](CO)NC(=O)[C@H]1CC[C@@H](CCC(=O)[O-])O1	ZINC001588744577	984044155	/nfs/dbraw/zinc/04/41/55/984044155.db2.gz	PDTUKVHZVJZWBY-OUAUKWLOSA-N	-1	0	271.313	0.452	20	30		CCEDRM
C=CC[C@H](OC(=O)C1(C(=O)NC)CCC1)C(=O)[O-]	ZINC001588751293	984076040	/nfs/dbraw/zinc/07/60/40/984076040.db2.gz	KRUWZVQDNMPJCS-QMMMGPOBSA-N	-1	0	255.270	0.475	20	30		CCEDRM
C=CC[C@@H](OC(=O)[C@@H](C)N1C(=O)CCC1=O)C(=O)[O-]	ZINC001588751947	984079105	/nfs/dbraw/zinc/07/91/05/984079105.db2.gz	RTRIPNWNWKWXSE-HTQZYQBOSA-N	-1	0	269.253	0.096	20	30		CCEDRM
C=CC[C@H](OC(=O)CCc1ccncn1)C(=O)[O-]	ZINC001588753107	984083085	/nfs/dbraw/zinc/08/30/85/984083085.db2.gz	AMGHJQQLNLCBEY-JTQLQIEISA-N	-1	0	250.254	0.982	20	30		CCEDRM
C=CC[C@@H](OC(=O)Cc1nnn(C(C)(C)C)n1)C(=O)[O-]	ZINC001588753325	984085020	/nfs/dbraw/zinc/08/50/20/984085020.db2.gz	FSSHPVTZZXZCGO-MRVPVSSYSA-N	-1	0	282.300	0.543	20	30		CCEDRM
C=CCC1(C(=O)NCCNC(=O)[C@H]2C[C@@H]2C(=O)[O-])CCC1	ZINC001588764514	984122058	/nfs/dbraw/zinc/12/20/58/984122058.db2.gz	CEODYKCQGFEMSM-QWRGUYRKSA-N	-1	0	294.351	0.686	20	30		CCEDRM
C=CC[C@@H]1CCN1C(=O)Cn1cccc(C(=O)[O-])c1=O	ZINC001588772864	984145192	/nfs/dbraw/zinc/14/51/92/984145192.db2.gz	OQNBZAMLCGNVQX-SNVBAGLBSA-N	-1	0	276.292	0.724	20	30		CCEDRM
C=CCCC(=O)N1CCN(c2ccnc(C(=O)[O-])n2)CC1	ZINC001588774101	984150922	/nfs/dbraw/zinc/15/09/22/984150922.db2.gz	STAHPVRYRSANKY-UHFFFAOYSA-N	-1	0	290.323	0.790	20	30		CCEDRM
C=CCC[C@@H](CO)NC(=O)Nc1nn(C)cc1C(=O)[O-]	ZINC001588777483	984156465	/nfs/dbraw/zinc/15/64/65/984156465.db2.gz	AQWXTQLGUQGZRW-QMMMGPOBSA-N	-1	0	282.300	0.567	20	30		CCEDRM
C=CCCCC(=O)N(C)CCNC(=O)[C@@H]1C[C@@H]1C(=O)[O-]	ZINC001588781854	984168426	/nfs/dbraw/zinc/16/84/26/984168426.db2.gz	KAFIVSWWGMVZCE-MNOVXSKESA-N	-1	0	282.340	0.638	20	30		CCEDRM
C=CCCCC(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)[O-]	ZINC001588782514	984172887	/nfs/dbraw/zinc/17/28/87/984172887.db2.gz	GOZMNPZIJQMKTQ-IUCAKERBSA-N	-1	0	256.302	0.437	20	30		CCEDRM
C=CCCC[C@@H](NC(=O)[C@@H](C)S(C)(=O)=O)C(=O)[O-]	ZINC001588785942	984182416	/nfs/dbraw/zinc/18/24/16/984182416.db2.gz	KSTKBEOCYLGNFY-RKDXNWHRSA-N	-1	0	277.342	0.345	20	30		CCEDRM
C=CCCC[C@@H](NC(=O)c1c([N+](=O)[O-])cnn1C)C(=O)[O-]	ZINC001588794172	984225246	/nfs/dbraw/zinc/22/52/46/984225246.db2.gz	NIFFNCVSQZRRPP-MRVPVSSYSA-N	-1	0	296.283	0.868	20	30		CCEDRM
C=CCCCCn1nnnc1N1CC[C@@](OC)(C(=O)[O-])C1	ZINC001588802423	984248890	/nfs/dbraw/zinc/24/88/90/984248890.db2.gz	LRHKPFUGXIWMSC-ZDUSSCGKSA-N	-1	0	295.343	0.709	20	30		CCEDRM
C=CCCOCC(=O)O[C@H]1C[C@H](C(=O)[O-])N(C)C1	ZINC001588810310	984266466	/nfs/dbraw/zinc/26/64/66/984266466.db2.gz	IIMQZRRKSJABFF-VHSXEESVSA-N	-1	0	257.286	0.280	20	30		CCEDRM
C=CCCOCCNC(=O)C(=O)N1CCC[C@@H]1CC(=O)[O-]	ZINC001588810370	984266816	/nfs/dbraw/zinc/26/68/16/984266816.db2.gz	LFTRXOXMQVWQKM-LLVKDONJSA-N	-1	0	298.339	0.161	20	30		CCEDRM
C=CCCOCCN1C(=O)[C@H]2CC[C@H](C(=O)[O-])CN2C1=O	ZINC001588810439	984267059	/nfs/dbraw/zinc/26/70/59/984267059.db2.gz	QMADKNRIPLQISV-WDEREUQCSA-N	-1	0	296.323	0.707	20	30		CCEDRM
C=CCN1CC[C@H](N(C)C(=O)c2c[nH]c(C(=O)[O-])c2)C1=O	ZINC001588837037	984331472	/nfs/dbraw/zinc/33/14/72/984331472.db2.gz	PKVRMNQHPBJMIL-NSHDSACASA-N	-1	0	291.307	0.572	20	30		CCEDRM
C=CCN1CC[C@@H](N[C@@H](Cc2cncs2)C(=O)[O-])C1=O	ZINC001588838784	984341069	/nfs/dbraw/zinc/34/10/69/984341069.db2.gz	JTQUEQJEWINWBB-MNOVXSKESA-N	-1	0	295.364	0.515	20	30		CCEDRM
C=CCNC(=O)[C@@H](C)OC(=O)c1c[nH]c(C(=O)[O-])c1	ZINC001588838816	984342232	/nfs/dbraw/zinc/34/22/32/984342232.db2.gz	JPBBMCANOSSXEB-SSDOTTSWSA-N	-1	0	266.253	0.560	20	30		CCEDRM
C=CCN1CCN(CN2CCSC[C@H]2CC(=O)[O-])C1=O	ZINC001588838909	984342685	/nfs/dbraw/zinc/34/26/85/984342685.db2.gz	LSMWSOWXDQALKN-LLVKDONJSA-N	-1	0	299.396	0.760	20	30		CCEDRM
C=CCN1CC[C@@H](OC(=O)CCCCC(=O)[O-])C1=O	ZINC001588839843	984350622	/nfs/dbraw/zinc/35/06/22/984350622.db2.gz	XCXMRDXTPBJDFD-SNVBAGLBSA-N	-1	0	269.297	0.962	20	30		CCEDRM
C=CCNC(=O)CNC(=O)c1ccccc1CCC(=O)[O-]	ZINC001588844708	984359128	/nfs/dbraw/zinc/35/91/28/984359128.db2.gz	PKCGPEYIPAFDSC-UHFFFAOYSA-N	-1	0	290.319	0.736	20	30		CCEDRM
C=CCOCC(=O)N1CC[C@]2(CC(C(=O)[O-])=NO2)C1	ZINC001588849715	984374504	/nfs/dbraw/zinc/37/45/04/984374504.db2.gz	HFLROIVNJZKYJE-LBPRGKRZSA-N	-1	0	268.269	0.021	20	30		CCEDRM
C=CCOC[C@@H](NC(=O)C(C)(Cl)Cl)C(=O)[O-]	ZINC001588850947	984381819	/nfs/dbraw/zinc/38/18/19/984381819.db2.gz	LFKAZCVIPZLDQN-ZCFIWIBFSA-N	-1	0	270.112	0.952	20	30		CCEDRM
C=CCOC[C@H](NC(=O)[C@@H]1CCCN(C(C)=O)C1)C(=O)[O-]	ZINC001588855835	984394743	/nfs/dbraw/zinc/39/47/43/984394743.db2.gz	PUZUPWYIMFKOLV-NEPJUHHUSA-N	-1	0	298.339	0.017	20	30		CCEDRM
C=CCOC[C@H](NC(=O)[C@@H]1CC1(Cl)Cl)C(=O)[O-]	ZINC001588856266	984398231	/nfs/dbraw/zinc/39/82/31/984398231.db2.gz	XINHDQWDIAXWDT-BQBZGAKWSA-N	-1	0	282.123	0.952	20	30		CCEDRM
C=CCOC[C@H](NC(=O)c1cc(C)on1)C(=O)[O-]	ZINC001588859154	984403391	/nfs/dbraw/zinc/40/33/91/984403391.db2.gz	BFBRJCUGBNSPTB-VIFPVBQESA-N	-1	0	254.242	0.369	20	30		CCEDRM
C=CCOC[C@@H](NC(=O)c1csc(CO)n1)C(=O)[O-]	ZINC001588859883	984409072	/nfs/dbraw/zinc/40/90/72/984409072.db2.gz	AHFJPJVJJAMTSN-SSDOTTSWSA-N	-1	0	286.309	0.021	20	30		CCEDRM
C=CCOC[C@@H](NC(=O)C1=NC(=O)C(C)S1)C(=O)[O-]	ZINC001588860525	984413592	/nfs/dbraw/zinc/41/35/92/984413592.db2.gz	WZHCEJAAFLADCN-SSDOTTSWSA-N	-1	0	286.309	0.543	20	30		CCEDRM
C=CCOCCn1cc(CN2CCCC[C@@H]2C(=O)[O-])nn1	ZINC001588868612	984434452	/nfs/dbraw/zinc/43/44/52/984434452.db2.gz	MRAJUXJEXIWDAM-CYBMUJFWSA-N	-1	0	294.355	0.920	20	30		CCEDRM
C=CCOCCCn1nnnc1N1C[C@H]2[C@H](C(=O)[O-])[C@H]2C1	ZINC001588869146	984438349	/nfs/dbraw/zinc/43/83/49/984438349.db2.gz	USETVRUBPWVSNJ-URLYPYJESA-N	-1	0	293.327	0.033	20	30		CCEDRM
C=CCn1c(N2CC[C@](C)(C(=O)[O-])C2)nnc1C1(O)CC1	ZINC001588904584	984530656	/nfs/dbraw/zinc/53/06/56/984530656.db2.gz	WSTNEXVQJZTQOB-ZDUSSCGKSA-N	-1	0	292.339	0.747	20	30		CCEDRM
C=CCn1cc(CNc2ccc(C(=O)[O-])nn2)nn1	ZINC001588909048	984541543	/nfs/dbraw/zinc/54/15/43/984541543.db2.gz	GWOPQZBMMHAHQM-UHFFFAOYSA-N	-1	0	260.257	0.564	20	30		CCEDRM
C=C[C@@H]1OCCC[C@H]1NS(=O)(=O)C1(C(=O)[O-])CCC1	ZINC001588917262	984565778	/nfs/dbraw/zinc/56/57/78/984565778.db2.gz	SSDSWBNMLAQWLS-ZJUUUORDSA-N	-1	0	289.353	0.647	20	30		CCEDRM
CC#CCn1nnnc1N1CCC2(C[C@H]2C(=O)[O-])CC1	ZINC001588932325	984607567	/nfs/dbraw/zinc/60/75/67/984607567.db2.gz	RLZAHQZIRACJKY-JTQLQIEISA-N	-1	0	275.312	0.388	20	30		CCEDRM
CCOC(=O)N(C)CCCC(=O)N(CC#N)CCC(=O)[O-]	ZINC001596640205	984634060	/nfs/dbraw/zinc/63/40/60/984634060.db2.gz	PFIRQOGNXFXNAA-UHFFFAOYSA-N	-1	0	299.327	0.682	20	30		CCEDRM
C/C(=C\COC(=O)[C@H](C)n1cnc(C#N)n1)C(=O)[O-]	ZINC001588987460	984902585	/nfs/dbraw/zinc/90/25/85/984902585.db2.gz	UKDWWYNSLHHPEH-DKCNVOGISA-N	-1	0	264.241	0.285	20	30		CCEDRM
CC(=NN1CCCC[C@@H]1C)c1cn(CC(=O)[O-])nn1	ZINC001589011140	984987307	/nfs/dbraw/zinc/98/73/07/984987307.db2.gz	QISJHFJSANMCNP-VIFPVBQESA-N	-1	0	265.317	0.961	20	30		CCEDRM
Cc1[nH]c(C#N)cc1C(=O)N[C@H](Cn1ccnc1)C(=O)[O-]	ZINC001599942446	985471292	/nfs/dbraw/zinc/47/12/92/985471292.db2.gz	KHWOVVCGBCEQBB-LLVKDONJSA-N	-1	0	287.279	0.275	20	30		CCEDRM
Cc1[nH]c(C#N)cc1C(=O)NC1(CC(=O)[O-])CCOCC1	ZINC001599942520	985472557	/nfs/dbraw/zinc/47/25/57/985472557.db2.gz	NMWOVRQGTMSWQB-UHFFFAOYSA-N	-1	0	291.307	0.949	20	30		CCEDRM
C[C@@H]1CN(C(=O)[C@H]2CC[C@@H](C(=O)[O-])O2)C[C@H](C)N1CC#N	ZINC001594484654	985547579	/nfs/dbraw/zinc/54/75/79/985547579.db2.gz	CFZCKMXQKYVUAZ-KXNHARMFSA-N	-1	0	295.339	0.063	20	30		CCEDRM
C[C@@H]1CN(C(=O)[C@H]2C[C@H]2C(=O)[O-])C[C@@H](C)N1CC#N	ZINC001594486088	985562601	/nfs/dbraw/zinc/56/26/01/985562601.db2.gz	PRFUWQHPBDVCDW-CHWFTXMASA-N	-1	0	265.313	0.152	20	30		CCEDRM
CCOC[C@H](C(=O)[O-])N(C)C(=O)CC(C)(C)C#N	ZINC001596872001	985695632	/nfs/dbraw/zinc/69/56/32/985695632.db2.gz	BZUCKOMFSHTHPV-SECBINFHSA-N	-1	0	256.302	0.874	20	30		CCEDRM
C[C@@H](C#N)C(=O)N(C)[C@@H](C)CNc1ccnc(C(=O)[O-])n1	ZINC001589323830	986150923	/nfs/dbraw/zinc/15/09/23/986150923.db2.gz	OPDXYMRDVUDOIY-IUCAKERBSA-N	-1	0	291.311	0.015	20	30		CCEDRM
C[C@H](C#N)CN(C)C(=O)C(=O)N1C[C@H](C)[C@@](C)(C(=O)[O-])C1	ZINC001589329128	986161149	/nfs/dbraw/zinc/16/11/49/986161149.db2.gz	JMGUFSKGHQHDNZ-BFVZDQMLSA-N	-1	0	295.339	0.174	20	30		CCEDRM
C[C@@H](C#N)C(=O)N[C@](C)(Cn1cccn1)C(=O)[O-]	ZINC001589330109	986170262	/nfs/dbraw/zinc/17/02/62/986170262.db2.gz	YNPXVGDHRVJCQZ-GZMMTYOYSA-N	-1	0	250.258	0.002	20	30		CCEDRM
C[C@@H](C#N)CNC(=O)N1C[C@H]2COCC[C@@]2(C(=O)[O-])C1	ZINC001589330807	986178543	/nfs/dbraw/zinc/17/85/43/986178543.db2.gz	RDJVOBWPUBZWJE-OUJBWJOFSA-N	-1	0	281.312	0.279	20	30		CCEDRM
C[C@@H](C(=O)NCCSCCC(=O)[O-])n1cnc(C#N)n1	ZINC001589410111	986612128	/nfs/dbraw/zinc/61/21/28/986612128.db2.gz	STTBFDYHXDKHRC-QMMMGPOBSA-N	-1	0	297.340	0.035	20	30		CCEDRM
CCc1nnc([C@H](C)N(CC#N)CCC(=O)[O-])[nH]1	ZINC001597644326	988651282	/nfs/dbraw/zinc/65/12/82/988651282.db2.gz	LWRYJMILWCVMNF-QMMMGPOBSA-N	-1	0	251.290	0.728	20	30		CCEDRM
C[C@@H](O)[C@H](NC(=O)c1ccsc1C#N)C(=O)[O-]	ZINC001599846112	988934243	/nfs/dbraw/zinc/93/42/43/988934243.db2.gz	SJEIJLBWRQJTLP-XRGYYRRGSA-N	-1	0	254.267	0.184	20	30		CCEDRM
CC(C)(CC#N)CNC(=O)NCCn1cc(C(=O)[O-])nn1	ZINC001590615025	990285807	/nfs/dbraw/zinc/28/58/07/990285807.db2.gz	GGOCRZJQOOZANB-UHFFFAOYSA-N	-1	0	294.315	0.215	20	30		CCEDRM
CC(C)(CC#N)CNS(=O)(=O)c1cncc(C(=O)[O-])c1	ZINC001590615114	990286570	/nfs/dbraw/zinc/28/65/70/990286570.db2.gz	JWXBXPHMGGCYHK-UHFFFAOYSA-N	-1	0	297.336	0.998	20	30		CCEDRM
CC(C)(CNC(=O)N1CC[C@](F)(C#N)C1)C(=O)[O-]	ZINC001590716085	990474091	/nfs/dbraw/zinc/47/40/91/990474091.db2.gz	LJNNMLMSJQOMQN-NSHDSACASA-N	-1	0	257.265	0.744	20	30		CCEDRM
CN(C)C(=O)CCCNc1ccc(C(=O)[O-])nc1C#N	ZINC001598124585	990552902	/nfs/dbraw/zinc/55/29/02/990552902.db2.gz	NMAQTPFOSGNLHL-UHFFFAOYSA-N	-1	0	276.296	0.932	20	30		CCEDRM
CC(C)C#CC(=O)N1CCC([C@@H](O)C(=O)[O-])CC1	ZINC001590926911	990928111	/nfs/dbraw/zinc/92/81/11/990928111.db2.gz	LJVFLYDGVOFZAJ-GFCCVEGCSA-N	-1	0	253.298	0.330	20	30		CCEDRM
CC(C)[C@@](C)(C#N)NC(=O)c1cc(C(=O)[O-])nn1C	ZINC001590960891	991055466	/nfs/dbraw/zinc/05/54/66/991055466.db2.gz	KHSSYQSNGYGYHD-GFCCVEGCSA-N	-1	0	264.285	0.786	20	30		CCEDRM
CN(C)c1cc(C(=O)[O-])ccc1NC(=O)NCC#CCO	ZINC001598299055	991237768	/nfs/dbraw/zinc/23/77/68/991237768.db2.gz	SFGXOFSWLVTPNQ-UHFFFAOYSA-N	-1	0	291.307	0.568	20	30		CCEDRM
CN(C1(C#N)CCC1)S(=O)(=O)c1ccc(C(=O)[O-])nc1	ZINC001598364260	991505001	/nfs/dbraw/zinc/50/50/01/991505001.db2.gz	DXUHCEPYXIEIGH-UHFFFAOYSA-N	-1	0	295.320	0.847	20	30		CCEDRM
COc1ncc(CN(CC#N)CC(=O)[O-])c(C)n1	ZINC001599733815	991745055	/nfs/dbraw/zinc/74/50/55/991745055.db2.gz	BKWNTQIMTDDALI-UHFFFAOYSA-N	-1	0	250.258	0.204	20	30		CCEDRM
CN1C[C@H](C(=O)[O-])N(Cc2ccc(CC#N)cc2)CC1=O	ZINC001598564802	993130508	/nfs/dbraw/zinc/13/05/08/993130508.db2.gz	YPWXSHFMVGMXQK-CYBMUJFWSA-N	-1	0	287.319	0.480	20	30		CCEDRM
COc1ccc(NC(=O)C(=O)NCCC#N)c(C(=O)[O-])c1	ZINC001599588276	993642910	/nfs/dbraw/zinc/64/29/10/993642910.db2.gz	QXLJRBYPOOFBTQ-UHFFFAOYSA-N	-1	0	291.263	0.362	20	30		CCEDRM
C[C@](O)(CC(=O)N1CCC(C#N)(C(=O)[O-])CC1)C1CC1	ZINC001593381774	995093993	/nfs/dbraw/zinc/09/39/93/995093993.db2.gz	NXOHPKXFLCVHJN-ZDUSSCGKSA-N	-1	0	280.324	0.754	20	30		CCEDRM
C[C@@](O)(CNc1nccc(C#N)c1[N+](=O)[O-])C(=O)[O-]	ZINC001593416686	995199113	/nfs/dbraw/zinc/19/91/13/995199113.db2.gz	BJJYAVGXHSSLGY-SNVBAGLBSA-N	-1	0	266.213	0.109	20	30		CCEDRM
C[C@@H](OC(=O)C(C)(C)CC(=O)[O-])C(=O)NC1(C#N)CCC1	ZINC001593483467	995437295	/nfs/dbraw/zinc/43/72/95/995437295.db2.gz	ZZIBOUBJZRNXHI-SECBINFHSA-N	-1	0	296.323	0.981	20	30		CCEDRM
C[C@H](Oc1ccc(C#N)cc1)C(=O)N[C@@H](CF)C(=O)[O-]	ZINC001593611492	995808328	/nfs/dbraw/zinc/80/83/28/995808328.db2.gz	CIBVNEJWXXTTRS-KWQFWETISA-N	-1	0	280.255	0.864	20	30		CCEDRM
COC(=O)[C@@H]1CC[C@H](C(=O)[O-])CN1CCO[C@@H](C)C#N	ZINC001598779008	995962460	/nfs/dbraw/zinc/96/24/60/995962460.db2.gz	PULQNBLEIJNKNU-DCAQKATOSA-N	-1	0	284.312	0.253	20	30		CCEDRM
C[C@@]1(C#N)CCCN([C@H]2CCN(CCC(=O)[O-])C2=O)C1	ZINC001593743081	996364871	/nfs/dbraw/zinc/36/48/71/996364871.db2.gz	OWEMPKHATADZIJ-FZMZJTMJSA-N	-1	0	279.340	0.688	20	30		CCEDRM
C[C@@]1(C#N)CCCN(S(=O)(=O)C2(C(=O)[O-])CCC2)C1	ZINC001593743184	996366079	/nfs/dbraw/zinc/36/60/79/996366079.db2.gz	PZWHNYLGUSVZEH-NSHDSACASA-N	-1	0	286.353	0.949	20	30		CCEDRM
COC(=O)[C@H]1CN(c2ccc(C(=O)[O-])nc2C#N)CCO1	ZINC001598825866	996381695	/nfs/dbraw/zinc/38/16/95/996381695.db2.gz	FMUKLZAVLANZLN-LLVKDONJSA-N	-1	0	291.263	0.030	20	30		CCEDRM
COC(=O)CCCC(=O)N(CC#N)CCC(=O)[O-]	ZINC001598850597	996600626	/nfs/dbraw/zinc/60/06/26/996600626.db2.gz	MYKNKUVZPUIGEB-UHFFFAOYSA-N	-1	0	256.258	0.157	20	30		CCEDRM
CO[C@]1(C(=O)[O-])CCN(C(=O)c2ccsc2C#N)C1	ZINC001599075741	996858540	/nfs/dbraw/zinc/85/85/40/996858540.db2.gz	RPZYNYYFXAIYGK-GFCCVEGCSA-N	-1	0	280.305	0.935	20	30		CCEDRM
COC(=O)[C@@H](CC(=O)[O-])OC(=O)c1ccnc(C#N)c1	ZINC001598890622	996985760	/nfs/dbraw/zinc/98/57/60/996985760.db2.gz	ITSVPYFYGSNOAN-SECBINFHSA-N	-1	0	278.220	0.126	20	30		CCEDRM
CON(C(=O)c1cccc(C#N)n1)[C@H](C)CC(=O)[O-]	ZINC001599311764	997427783	/nfs/dbraw/zinc/42/77/83/997427783.db2.gz	OEOCEVIUECOYNU-MRVPVSSYSA-N	-1	0	263.253	0.820	20	30		CCEDRM
CON=CC(=O)Nc1ccn(C(C)(C)C(=O)[O-])n1	ZINC001599321241	997585357	/nfs/dbraw/zinc/58/53/57/997585357.db2.gz	WFEPPIHUOMTICN-UHFFFAOYSA-N	-1	0	254.246	0.274	20	30		CCEDRM
C[C@]1(CO)C[C@H](O)CN1Cc1cccc(C(=O)[O-])c1C#N	ZINC001594031775	997610379	/nfs/dbraw/zinc/61/03/79/997610379.db2.gz	GXFFONHUOFWWTE-XHDPSFHLSA-N	-1	0	290.319	0.574	20	30		CCEDRM
CO[C@@H]1CN([C@@H](C(=O)[O-])c2ccc(C#N)cc2)C[C@H]1O	ZINC001599323468	997622343	/nfs/dbraw/zinc/62/23/43/997622343.db2.gz	UMYDPHRVEMQNIL-JHJVBQTASA-N	-1	0	276.292	0.375	20	30		CCEDRM
CO[C@@H]1C[C@H]1C(=O)N1CCC(C#N)(C(=O)[O-])CC1	ZINC001599324343	997635849	/nfs/dbraw/zinc/63/58/49/997635849.db2.gz	CSKPKZQLSNRPNR-RKDXNWHRSA-N	-1	0	252.270	0.238	20	30		CCEDRM
CO[C@H]1CCN(CC(=O)NC2(C#N)CCC2)[C@@H](C(=O)[O-])C1	ZINC001599121490	997746374	/nfs/dbraw/zinc/74/63/74/997746374.db2.gz	ANUOTYXAVSRBNZ-WDEREUQCSA-N	-1	0	295.339	0.113	20	30		CCEDRM
CC1(NC(=O)[C@H]2C[C@H]2C(=O)[O-])CCN(CC#N)CC1	ZINC001594053687	997775402	/nfs/dbraw/zinc/77/54/02/997775402.db2.gz	WFNJNYVGLVZDQK-VHSXEESVSA-N	-1	0	265.313	0.201	20	30		CCEDRM
CO[C@@H]1CN(C(=O)[C@H](C)CC#N)[C@@](C)(C(=O)[O-])C1	ZINC001599129490	997915771	/nfs/dbraw/zinc/91/57/71/997915771.db2.gz	FGVNKYXCLDBGCT-VDDIYKPWSA-N	-1	0	254.286	0.627	20	30		CCEDRM
CC1(n2nnnc2N(CC#N)CCC(=O)[O-])CCC1	ZINC001594084997	997999584	/nfs/dbraw/zinc/99/95/84/997999584.db2.gz	ZLNXQBKENZJOBC-UHFFFAOYSA-N	-1	0	264.289	0.377	20	30		CCEDRM
COCC#CC(=O)NC[C@@H](Cc1ccncc1)C(=O)[O-]	ZINC001599137710	998071309	/nfs/dbraw/zinc/07/13/09/998071309.db2.gz	AHLCOGAGQFSJGU-GFCCVEGCSA-N	-1	0	276.292	0.091	20	30		CCEDRM
COCC#CC(=O)N1C[C@@H](C(=O)[O-])c2ccccc21	ZINC001599138147	998080585	/nfs/dbraw/zinc/08/05/85/998080585.db2.gz	IWKBLZAYELEKJW-LLVKDONJSA-N	-1	0	259.261	0.851	20	30		CCEDRM
COCC#CC(=O)N[C@@]1(C)CCCC[C@@H]1C(=O)[O-]	ZINC001599138407	998084037	/nfs/dbraw/zinc/08/40/37/998084037.db2.gz	KRWNXBPAPCCJPU-MFKMUULPSA-N	-1	0	253.298	0.786	20	30		CCEDRM
COCC#CC(=O)N1CC[C@@](C(=O)[O-])(C(F)(F)F)C1	ZINC001599139350	998100581	/nfs/dbraw/zinc/10/05/81/998100581.db2.gz	VKBGMGLZYFJRTL-SNVBAGLBSA-N	-1	0	279.214	0.502	20	30		CCEDRM
COCC#CC(=O)N[C@@](C)(Cc1ccc(F)cc1)C(=O)[O-]	ZINC001599139451	998101864	/nfs/dbraw/zinc/10/18/64/998101864.db2.gz	WZVACSGWERLUOK-HNNXBMFYSA-N	-1	0	293.294	0.978	20	30		CCEDRM
COC[C@H](C)[C@@H](C)C(=O)N(CC#N)CCC(=O)[O-]	ZINC001599157201	998392775	/nfs/dbraw/zinc/39/27/75/998392775.db2.gz	AUMIELVPFALZFG-VHSXEESVSA-N	-1	0	256.302	0.732	20	30		CCEDRM
COC[C@H](C)NC(=S)NN=Cc1cccn1CC(=O)[O-]	ZINC001599158855	998421739	/nfs/dbraw/zinc/42/17/39/998421739.db2.gz	DPWSAYQPLVSMEJ-VIFPVBQESA-N	-1	0	298.368	0.406	20	30		CCEDRM
COC[C@@H](CNc1ccc(C(=O)[O-])nc1C#N)OC	ZINC001599165232	998530861	/nfs/dbraw/zinc/53/08/61/998530861.db2.gz	DWMJNZACCFRDCY-MRVPVSSYSA-N	-1	0	265.269	0.725	20	30		CCEDRM
COC(=O)c1ccc(/C=C\C(=O)N(CC#N)CC(=O)[O-])o1	ZINC001598973999	998569316	/nfs/dbraw/zinc/56/93/16/998569316.db2.gz	NPGYFRCWSKRENK-HYXAFXHYSA-N	-1	0	292.247	0.516	20	30		CCEDRM
COC[C@@H](NC(=O)N1CCC(C#N)(C(=O)[O-])CC1)C1CC1	ZINC001599170760	998607162	/nfs/dbraw/zinc/60/71/62/998607162.db2.gz	ZODYAIBDVYEPOU-LLVKDONJSA-N	-1	0	295.339	0.811	20	30		CCEDRM
N#Cc1cc(C#N)c(SCc2n[nH]c(=O)[n-]2)nc1N	ZINC000091577698	349468797	/nfs/dbraw/zinc/46/87/97/349468797.db2.gz	NXPFSFMUSRYAEN-UHFFFAOYSA-N	-1	0	273.281	0.111	20	30		CCEDRM
N#Cc1ccccc1S(=O)(=O)N[C@@H]1C=C[C@H](C(=O)[O-])C1	ZINC000092181995	349484819	/nfs/dbraw/zinc/48/48/19/349484819.db2.gz	XPIVUIZNRIHEGS-GXSJLCMTSA-N	-1	0	292.316	0.866	20	30		CCEDRM
N#CCC([O-])=Nc1nc(C2CCOCC2)ns1	ZINC000600514023	362000275	/nfs/dbraw/zinc/00/02/75/362000275.db2.gz	KDNNDKRQOKIRIX-UHFFFAOYSA-N	-1	0	252.299	0.706	20	30		CCEDRM
Cc1cn2c(n1)C[C@@H](C(=O)N=c1[nH][n-]c(C)c1C#N)CC2	ZINC000600827381	362075464	/nfs/dbraw/zinc/07/54/64/362075464.db2.gz	SUYSXUCTSDPTQD-JTQLQIEISA-N	-1	0	284.323	0.718	20	30		CCEDRM
C[C@H](C#N)CNS(=O)(=O)c1csc(C(=O)[O-])c1	ZINC000113251062	349806193	/nfs/dbraw/zinc/80/61/93/349806193.db2.gz	XLRUZDMSVIKUGP-ZCFIWIBFSA-N	-1	0	274.323	0.884	20	30		CCEDRM
N#Cc1ccc(S(=O)(=O)N2CCC[C@@H]2C(=O)[O-])cn1	ZINC000127109976	187282972	/nfs/dbraw/zinc/28/29/72/187282972.db2.gz	JHZPRJDPFJIEKW-SNVBAGLBSA-N	-1	0	281.293	0.191	20	30		CCEDRM
Cc1nn(C)c(C)c1[C@@H](C)C(=O)N=c1[nH][n-]cc1C#N	ZINC000601638378	362336316	/nfs/dbraw/zinc/33/63/16/362336316.db2.gz	ALVZTDALVGERCP-SSDOTTSWSA-N	-1	0	272.312	0.796	20	30		CCEDRM
CCCCN(CC)C(=O)CCn1cc(C#N)c(=O)[n-]c1=O	ZINC000602028743	362463635	/nfs/dbraw/zinc/46/36/35/362463635.db2.gz	DFVYRKPJTBITTP-UHFFFAOYSA-N	-1	0	292.339	0.859	20	30		CCEDRM
CCCCN(C(=O)Cn1cc(C#N)c(=O)[n-]c1=O)C1CC1	ZINC000602053315	362468593	/nfs/dbraw/zinc/46/85/93/362468593.db2.gz	BUOUGIJGGYAESY-UHFFFAOYSA-N	-1	0	290.323	0.612	20	30		CCEDRM
N#Cc1ccc(NCC(=O)NCc2n[nH]c(=O)[n-]2)cc1	ZINC000358351613	232085732	/nfs/dbraw/zinc/08/57/32/232085732.db2.gz	GVCWHJSRYKKYQF-UHFFFAOYSA-N	-1	0	272.268	0.110	20	30		CCEDRM
CC(C)[C@H]1CCN1C(=O)CCn1cc(C#N)c(=O)[n-]c1=O	ZINC000602133191	362513003	/nfs/dbraw/zinc/51/30/03/362513003.db2.gz	PLHGKQPALROCOV-LLVKDONJSA-N	-1	0	290.323	0.468	20	30		CCEDRM
Cc1ncc(S(=O)(=O)N(C)C[C@@H](C)C(=O)[O-])cc1C#N	ZINC000261726145	137017354	/nfs/dbraw/zinc/01/73/54/137017354.db2.gz	KVDWHRLHUZEKJA-MRVPVSSYSA-N	-1	0	297.336	0.603	20	30		CCEDRM
N#Cc1ccc([N+](=O)[O-])c(NCc2n[nH]c(=O)[n-]2)c1	ZINC000341374737	137086755	/nfs/dbraw/zinc/08/67/55/137086755.db2.gz	MNXBYJNKJZKTEH-UHFFFAOYSA-N	-1	0	260.213	0.902	20	30		CCEDRM
C[C@H](COCC1CC1)NC(=O)N=c1[n-]n(C)cc1C#N	ZINC000602887376	362866132	/nfs/dbraw/zinc/86/61/32/362866132.db2.gz	PMXVTPNBTNCTNZ-SECBINFHSA-N	-1	0	277.328	0.650	20	30		CCEDRM
N#Cc1nc(NC(=O)[C@@H]2COc3ccccc3O2)[n-]c1C#N	ZINC000045580595	348338813	/nfs/dbraw/zinc/33/88/13/348338813.db2.gz	XZACIMFDAGQJER-LBPRGKRZSA-N	-1	0	295.258	0.932	20	30		CCEDRM
C[C@H](NS(=O)(=O)c1ccc(C#N)cc1Cl)C(=O)[O-]	ZINC000126028513	350135902	/nfs/dbraw/zinc/13/59/02/350135902.db2.gz	OCLBIJQRLIXTIC-LURJTMIESA-N	-1	0	288.712	0.963	20	30		CCEDRM
N#Cc1cccc(CS(=O)(=O)[N-]CC(F)(F)CN)c1	ZINC000162641905	350748420	/nfs/dbraw/zinc/74/84/20/350748420.db2.gz	NKMBBOFAJGOAJE-UHFFFAOYSA-N	-1	0	289.307	0.572	20	30		CCEDRM
C=CCN(C)S(=O)(=O)c1cc(C(=O)[O-])n(C)c1	ZINC000165204756	350788868	/nfs/dbraw/zinc/78/88/68/350788868.db2.gz	KDASNBDKOAMQKE-UHFFFAOYSA-N	-1	0	258.299	0.530	20	30		CCEDRM
C=C[C@@H]1CCCCN1S(=O)(=O)c1n[nH]cc1C(=O)OC	ZINC000603326477	363066312	/nfs/dbraw/zinc/06/63/12/363066312.db2.gz	BGNBZYUDPHDOGA-SECBINFHSA-N	-1	0	299.352	0.926	20	30		CCEDRM
CC(C)(C)n1cc(C(=O)Nc2nc(C#N)c(C#N)[n-]2)nn1	ZINC000192038290	351781645	/nfs/dbraw/zinc/78/16/45/351781645.db2.gz	DKLXMTZGTSLCCK-UHFFFAOYSA-N	-1	0	284.283	0.752	20	30		CCEDRM
Cn1cc(C#N)c([N-]S(=O)(=O)c2ccc(C#N)cc2)n1	ZINC000123361679	187087175	/nfs/dbraw/zinc/08/71/75/187087175.db2.gz	YDRRRQGQHKOXSY-UHFFFAOYSA-N	-1	0	287.304	0.964	20	30		CCEDRM
Cn1cc(C#N)c([N-]S(=O)(=O)C[C@@H]2CCCCO2)n1	ZINC000123379997	187088152	/nfs/dbraw/zinc/08/81/52/187088152.db2.gz	GIDOYTIHBULVMN-JTQLQIEISA-N	-1	0	284.341	0.603	20	30		CCEDRM
Cn1cc(C#N)c([N-]S(=O)(=O)c2ccc(C#N)nc2)n1	ZINC000123377705	187088401	/nfs/dbraw/zinc/08/84/01/187088401.db2.gz	QVDRAYYVQAPEFI-UHFFFAOYSA-N	-1	0	288.292	0.359	20	30		CCEDRM
N#Cc1ccc(S(=O)(=O)NC2(C(=O)[O-])CC2)cc1F	ZINC000291923881	198105957	/nfs/dbraw/zinc/10/59/57/198105957.db2.gz	VIWWLBQAQGTMBW-UHFFFAOYSA-N	-1	0	284.268	0.593	20	30		CCEDRM
CCn1cnnc1CNS(=O)(=O)c1ccc(C#N)nc1	ZINC000227430560	352050776	/nfs/dbraw/zinc/05/07/76/352050776.db2.gz	VOCFZSRZCBKHPL-UHFFFAOYSA-N	-1	0	292.324	0.043	20	30		CCEDRM
Cc1cc(C#N)ccc1S(=O)(=O)N(C)CCC(=O)[O-]	ZINC000230275945	352110706	/nfs/dbraw/zinc/11/07/06/352110706.db2.gz	JQLRMYKGUXUJQC-UHFFFAOYSA-N	-1	0	282.321	0.962	20	30		CCEDRM
C=CCSCCNC(=O)N[C@@]1(C(=O)[O-])CCOC1	ZINC000231958188	352138984	/nfs/dbraw/zinc/13/89/84/352138984.db2.gz	XMEROMBYTQIXHI-NSHDSACASA-N	-1	0	274.342	0.449	20	30		CCEDRM
COC(=O)CSCc1cc(=O)n2[n-]cc(C#N)c2n1	ZINC000603722369	363155044	/nfs/dbraw/zinc/15/50/44/363155044.db2.gz	KUZGVEBEVHXIRJ-UHFFFAOYSA-N	-1	0	278.293	0.713	20	30		CCEDRM
N#Cc1cncc(S(=O)(=O)N2CSC[C@@H]2C(=O)[O-])c1	ZINC000290738782	353746217	/nfs/dbraw/zinc/74/62/17/353746217.db2.gz	WWXQHLAMQDRVNZ-SECBINFHSA-N	-1	0	299.333	0.101	20	30		CCEDRM
CN(CCCCCO)C(=O)N=c1[n-]n(C)cc1C#N	ZINC000618994191	366140865	/nfs/dbraw/zinc/14/08/65/366140865.db2.gz	FZXMNPRIHVEWFG-UHFFFAOYSA-N	-1	0	265.317	0.340	20	30		CCEDRM
N#Cc1ccc(NC(=O)C(=O)N2CCC[C@H]2C(=O)[O-])cc1	ZINC000422665023	234845248	/nfs/dbraw/zinc/84/52/48/234845248.db2.gz	UNIFQPCLEIYOLM-NSHDSACASA-N	-1	0	287.275	0.572	20	30		CCEDRM
C[C@@H](Oc1cccnc1)C(=O)Nc1nc(C#N)c(C#N)[n-]1	ZINC000352610932	356031029	/nfs/dbraw/zinc/03/10/29/356031029.db2.gz	ZHNJKFYSFHIXLN-MRVPVSSYSA-N	-1	0	282.263	0.954	20	30		CCEDRM
C[C@@H](NS(=O)(=O)c1cccc(CC#N)c1)C(=O)[O-]	ZINC000619470436	366264993	/nfs/dbraw/zinc/26/49/93/366264993.db2.gz	QLMPMVMCFZOAQU-MRVPVSSYSA-N	-1	0	268.294	0.504	20	30		CCEDRM
C=C(C)[C@H]1OCC[C@@H]1CNC(=O)N=c1[n-]n(C)cc1C#N	ZINC000619556382	366280741	/nfs/dbraw/zinc/28/07/41/366280741.db2.gz	UWIRAYIQVRDMKL-ZYHUDNBSSA-N	-1	0	289.339	0.816	20	30		CCEDRM
CC[C@H](CC#N)NC(=O)N=c1ccc(C(=O)OC)n[n-]1	ZINC000619629390	366304615	/nfs/dbraw/zinc/30/46/15/366304615.db2.gz	FBXJSSRGAPFYTQ-MRVPVSSYSA-N	-1	0	277.284	0.499	20	30		CCEDRM
Cc1[n-][nH]c(=NC(=O)[C@@H]2OC[C@@H]3COCC[C@@H]23)c1C#N	ZINC000356165117	356714901	/nfs/dbraw/zinc/71/49/01/356714901.db2.gz	MMVSXSDXFDULSC-IQJOONFLSA-N	-1	0	276.296	0.002	20	30		CCEDRM
COC[C@H](C)[C@@H](C)C(=O)N=c1[nH][n-]c(C)c1C#N	ZINC000360453097	357015460	/nfs/dbraw/zinc/01/54/60/357015460.db2.gz	BDPQPTWWISSLMR-JGVFFNPUSA-N	-1	0	250.302	0.869	20	30		CCEDRM
CC(C)COCCCNC(=O)N=c1[n-]n(C)cc1C#N	ZINC000610528072	363572318	/nfs/dbraw/zinc/57/23/18/363572318.db2.gz	LJBVLQVZLZKIEE-UHFFFAOYSA-N	-1	0	279.344	0.898	20	30		CCEDRM
Cn1cc(C#N)c(=NC(=O)N[C@H](CCO)c2ccccc2)[n-]1	ZINC000610563135	363577639	/nfs/dbraw/zinc/57/76/39/363577639.db2.gz	SWUBNMPCYPVQLI-CYBMUJFWSA-N	-1	0	299.334	0.959	20	30		CCEDRM
C[C@H]1CN(C(=O)N=c2[n-]n(C)cc2C#N)CCCO1	ZINC000610562189	363576265	/nfs/dbraw/zinc/57/62/65/363576265.db2.gz	ZDBTZVYIDMRIFO-VIFPVBQESA-N	-1	0	263.301	0.356	20	30		CCEDRM
Cc1cc(CNC(=O)N=c2[n-]n(C)cc2C#N)[nH]n1	ZINC000610563225	363577932	/nfs/dbraw/zinc/57/79/32/363577932.db2.gz	WPJYMWZJMNDQQM-UHFFFAOYSA-N	-1	0	259.273	0.067	20	30		CCEDRM
CC(C)C[C@@H](C#N)NC(=O)c1cnc([O-])n(C)c1=O	ZINC000610585320	363581403	/nfs/dbraw/zinc/58/14/03/363581403.db2.gz	ZDZBUPSFPWKPPR-QMMMGPOBSA-N	-1	0	264.285	0.154	20	30		CCEDRM
CC(C)CO[C@@H]1CCN(C(=O)N=c2[n-]n(C)cc2C#N)C1	ZINC000610730796	363604531	/nfs/dbraw/zinc/60/45/31/363604531.db2.gz	FZDQFJPCIIZBDI-GFCCVEGCSA-N	-1	0	291.355	0.992	20	30		CCEDRM
N#Cc1nc(NC(=O)c2cnn(C3CC3)c2)[n-]c1C#N	ZINC000530261350	358387109	/nfs/dbraw/zinc/38/71/09/358387109.db2.gz	ACTRISDMLRPDJS-UHFFFAOYSA-N	-1	0	267.252	0.937	20	30		CCEDRM
C=CCOC[C@H](NC(=O)c1ccccn1)C(=O)[O-]	ZINC000571703022	358925124	/nfs/dbraw/zinc/92/51/24/358925124.db2.gz	VMCRJUMVRSNPKR-JTQLQIEISA-N	-1	0	250.254	0.467	20	30		CCEDRM
CCN(C[C@H](C)C#N)S(=O)(=O)N[C@H](C)CCC(=O)[O-]	ZINC000573971621	359016828	/nfs/dbraw/zinc/01/68/28/359016828.db2.gz	AAVFJWLYRIUHDU-NXEZZACHSA-N	-1	0	291.373	0.556	20	30		CCEDRM
N#Cc1ccc(S(=O)(=O)NCC[C@H]2CCCO2)o1	ZINC000588110437	359313319	/nfs/dbraw/zinc/31/33/19/359313319.db2.gz	JPPIHZQZIYIWIE-SECBINFHSA-N	-1	0	270.310	0.999	20	30		CCEDRM
CC[C@](C)(C#N)C(=O)N=c1ccc(C(=O)OC)n[n-]1	ZINC000588986363	359355838	/nfs/dbraw/zinc/35/58/38/359355838.db2.gz	SZBKLHKNAGSHBQ-GFCCVEGCSA-N	-1	0	262.269	0.563	20	30		CCEDRM
N#Cc1c(C2CC2)[n-][nH]c1=NC(=O)c1c[nH]c(C(N)=O)c1	ZINC000588766707	359335929	/nfs/dbraw/zinc/33/59/29/359335929.db2.gz	DSDUTMQRNBMNNN-UHFFFAOYSA-N	-1	0	284.279	0.260	20	30		CCEDRM
Cc1cnccc1CCNC(=O)N=c1[n-]n(C)cc1C#N	ZINC000611111999	363661245	/nfs/dbraw/zinc/66/12/45/363661245.db2.gz	QDPSYFLIUZGFEH-UHFFFAOYSA-N	-1	0	284.323	0.781	20	30		CCEDRM
CCOC(=O)c1cc(=NC(=O)c2cccc(C#N)n2)[nH][n-]1	ZINC000589481253	359385697	/nfs/dbraw/zinc/38/56/97/359385697.db2.gz	ZKSOOJDPKSQPPK-UHFFFAOYSA-N	-1	0	285.263	0.527	20	30		CCEDRM
CO[C@](C)(CNC(=O)N=c1[n-]n(C)cc1C#N)C1CC1	ZINC000589761832	359400531	/nfs/dbraw/zinc/40/05/31/359400531.db2.gz	JWKGBWBSJFDWFP-CYBMUJFWSA-N	-1	0	277.328	0.650	20	30		CCEDRM
CCC[C@@H](NC(=O)c1cccc(C#N)n1)c1nnn[n-]1	ZINC000589840144	359405197	/nfs/dbraw/zinc/40/51/97/359405197.db2.gz	SLUUCSLVSPKYQI-SECBINFHSA-N	-1	0	271.284	0.738	20	30		CCEDRM
C=CCn1c(=N)[n-]nc1SCC1(C(=O)OC)CC1	ZINC000591125154	359561042	/nfs/dbraw/zinc/56/10/42/359561042.db2.gz	HETRPYLQKMARRF-UHFFFAOYSA-N	-1	0	268.342	0.922	20	30		CCEDRM
CO[C@H]([C@@H](C)NC(=O)N=c1[n-]n(C)cc1C#N)C1CC1	ZINC000590819769	359527084	/nfs/dbraw/zinc/52/70/84/359527084.db2.gz	UWAPRXDZWYUAPQ-LDYMZIIASA-N	-1	0	277.328	0.649	20	30		CCEDRM
CCN(C[C@@H](C)C#N)S(=O)(=O)NCC(C)(C)C(=O)[O-]	ZINC000591350124	359580841	/nfs/dbraw/zinc/58/08/41/359580841.db2.gz	UBFQQDRHDKWEEE-VIFPVBQESA-N	-1	0	291.373	0.413	20	30		CCEDRM
CC#CC[C@H](NS(=O)(=O)CC1CC(F)(F)C1)C(=O)[O-]	ZINC000296918697	200034511	/nfs/dbraw/zinc/03/45/11/200034511.db2.gz	KQCMLBQIAHXQFE-VIFPVBQESA-N	-1	0	295.307	0.818	20	30		CCEDRM
N#CC1(C(=O)Nc2ncn(CC(=O)[O-])n2)CCCC1	ZINC000592469453	359848621	/nfs/dbraw/zinc/84/86/21/359848621.db2.gz	QARRPEJEIJNEQI-UHFFFAOYSA-N	-1	0	263.257	0.385	20	30		CCEDRM
CCOCCO[C@H](C)C(=O)N=c1[n-]n(C)c(C)c1C#N	ZINC000592647456	359907973	/nfs/dbraw/zinc/90/79/73/359907973.db2.gz	WQXZYAQGDBUZFA-SNVBAGLBSA-N	-1	0	280.328	0.402	20	30		CCEDRM
Cc1c(C#N)c(=NC(=O)[C@@H]2CCO[C@@H](C)C2)[n-]n1C	ZINC000592655004	359910333	/nfs/dbraw/zinc/91/03/33/359910333.db2.gz	UUZMXJXJFHOONI-WCBMZHEXSA-N	-1	0	262.313	0.776	20	30		CCEDRM
N#Cc1ccc(C(=O)N2CCC[C@H](c3n[nH]c(=O)[n-]3)C2)cn1	ZINC000592796442	359938809	/nfs/dbraw/zinc/93/88/09/359938809.db2.gz	DIQMMSRQXYSANL-JTQLQIEISA-N	-1	0	298.306	0.797	20	30		CCEDRM
N#CC1(CS(=O)(=O)N(CC(=O)[O-])CC2CC2)CC1	ZINC000593221614	360052765	/nfs/dbraw/zinc/05/27/65/360052765.db2.gz	ANAXNPVXFIUBCB-UHFFFAOYSA-N	-1	0	272.326	0.417	20	30		CCEDRM
C[C@@H](CC(=O)[O-])NS(=O)(=O)c1ccsc1C#N	ZINC000593251321	360055787	/nfs/dbraw/zinc/05/57/87/360055787.db2.gz	JFWPCFYUZNBDRH-LURJTMIESA-N	-1	0	274.323	0.761	20	30		CCEDRM
Cc1cc(=NC(=O)NC[C@H](C)C(=O)[O-])[nH]n1CCC#N	ZINC000593962143	360223492	/nfs/dbraw/zinc/22/34/92/360223492.db2.gz	RTLAGANRRFAPNF-QMMMGPOBSA-N	-1	0	279.300	0.369	20	30		CCEDRM
CC(C)(CC#N)CS(=O)(=O)N1CCOC[C@@H]1C(=O)[O-]	ZINC000594682725	360359777	/nfs/dbraw/zinc/35/97/77/360359777.db2.gz	CQDQRUJHRQURRP-SECBINFHSA-N	-1	0	290.341	0.041	20	30		CCEDRM
Cc1cc(=NC(=O)C(=O)N2CC[C@@](C)(C#N)C2)[n-]nc1C	ZINC000595212154	360451623	/nfs/dbraw/zinc/45/16/23/360451623.db2.gz	HJOPZYWGRCRCCV-AWEZNQCLSA-N	-1	0	287.323	0.216	20	30		CCEDRM
N#CCCCCC(=O)N1C[C@@H]2COC[C@]2(C(=O)[O-])C1	ZINC000595278403	360475192	/nfs/dbraw/zinc/47/51/92/360475192.db2.gz	YRKBELXGKMKBTL-ZWNOBZJWSA-N	-1	0	266.297	0.630	20	30		CCEDRM
N#Cc1cccc(N2C[C@@H]3COC[C@]3(C(=O)[O-])C2)n1	ZINC000595968040	360742908	/nfs/dbraw/zinc/74/29/08/360742908.db2.gz	NRYHFPRDHLMDRS-NOZJJQNGSA-N	-1	0	259.265	0.491	20	30		CCEDRM
Cc1cc(C#N)cc(N2C[C@@H]3COC[C@]3(C(=O)[O-])C2)n1	ZINC000595972992	360747617	/nfs/dbraw/zinc/74/76/17/360747617.db2.gz	NYNXXPOVMBNEPY-BXUZGUMPSA-N	-1	0	273.292	0.799	20	30		CCEDRM
N#Cc1nc(N[C@@H]2C[C@H](C(=O)[O-])C[C@H]2O)ccc1Cl	ZINC000595975312	360750645	/nfs/dbraw/zinc/75/06/45/360750645.db2.gz	ARGASINBYNJEQB-SKWCMTHISA-N	-1	0	281.699	0.665	20	30		CCEDRM
CO[C@](C)(C(=O)[O-])C(=O)NCc1ccc(CC#N)cc1	ZINC000595989036	360763849	/nfs/dbraw/zinc/76/38/49/360763849.db2.gz	LNUUZOWRTFARSA-AWEZNQCLSA-N	-1	0	276.292	0.859	20	30		CCEDRM
CCc1nc(C#N)cc(N(C)Cc2n[n-]c(=O)o2)n1	ZINC000596274654	360864227	/nfs/dbraw/zinc/86/42/27/360864227.db2.gz	BUBULCMOYCQBHN-UHFFFAOYSA-N	-1	0	260.257	0.636	20	30		CCEDRM
CNS(=O)(=O)c1cc(NC(=O)[C@@H](C)CC#N)ccc1[O-]	ZINC000597628424	361166918	/nfs/dbraw/zinc/16/69/18/361166918.db2.gz	GFJMGGJWVXBQCO-QMMMGPOBSA-N	-1	0	297.336	0.789	20	30		CCEDRM
Cc1[n-][nH]c(=NC(=O)[C@H](C)c2cnn(C)c2)c1C#N	ZINC000563991082	291262766	/nfs/dbraw/zinc/26/27/66/291262766.db2.gz	JYAIABQVVWCGMG-SSDOTTSWSA-N	-1	0	258.285	0.487	20	30		CCEDRM
CCN(C(=O)Cc1n[n-]c(=NC)s1)[C@@H](C)C#N	ZINC000598361991	361396823	/nfs/dbraw/zinc/39/68/23/361396823.db2.gz	UUOXWJRPKHQUHQ-ZETCQYMHSA-N	-1	0	253.331	0.305	20	30		CCEDRM
N#Cc1ccccc1CN1CCS(=O)(=O)C[C@H]1C(=O)[O-]	ZINC000598680066	361479201	/nfs/dbraw/zinc/47/92/01/361479201.db2.gz	SBDSOYHSIYITQN-LBPRGKRZSA-N	-1	0	294.332	0.242	20	30		CCEDRM
COC[C@@H](OC)C(=O)N=c1[n-]n(C(C)(C)C)cc1C#N	ZINC000598817871	361522084	/nfs/dbraw/zinc/52/20/84/361522084.db2.gz	ZKPOYDGPIPYZDV-SNVBAGLBSA-N	-1	0	280.328	0.532	20	30		CCEDRM
CCNc1ncc(C(=O)N=c2[nH][n-]cc2C#N)s1	ZINC000598911564	361530439	/nfs/dbraw/zinc/53/04/39/361530439.db2.gz	GVPBIPWRBQJCNU-UHFFFAOYSA-N	-1	0	262.298	0.266	20	30		CCEDRM
C=CCCC[C@H](C)NC(=O)C(=O)NC[C@H](C)C(=O)[O-]	ZINC000655986727	412725812	/nfs/dbraw/zinc/72/58/12/412725812.db2.gz	HHCWRYHBRFRTDO-UWVGGRQHSA-N	-1	0	270.329	0.684	20	30		CCEDRM
C[C@H](C#N)CNC(=O)c1ccc([N-]S(C)(=O)=O)nc1	ZINC000599428270	361695533	/nfs/dbraw/zinc/69/55/33/361695533.db2.gz	KIUBFKUFQHAQFP-MRVPVSSYSA-N	-1	0	282.325	0.343	20	30		CCEDRM
C=CCCCCCNC(=O)C(=O)NC[C@@H](C)C(=O)[O-]	ZINC000655997412	412727747	/nfs/dbraw/zinc/72/77/47/412727747.db2.gz	GXIATLYUMVJPBM-SNVBAGLBSA-N	-1	0	270.329	0.686	20	30		CCEDRM
C=C(CC)CNC(=O)C(=O)NC[C@H](C(=O)[O-])C(C)C	ZINC000655996709	412727934	/nfs/dbraw/zinc/72/79/34/412727934.db2.gz	WEDZJNAAOFCZSK-JTQLQIEISA-N	-1	0	270.329	0.542	20	30		CCEDRM
CCOC(=O)C1(CNC(=O)N=c2[n-]n(C)cc2C#N)CC1	ZINC000613772751	364367697	/nfs/dbraw/zinc/36/76/97/364367697.db2.gz	JEFVIXKWUMCJAK-UHFFFAOYSA-N	-1	0	291.311	0.178	20	30		CCEDRM
C=C(C)CN(C)C(=O)C(=O)N=c1nc2n([n-]1)CCCC2	ZINC000621703818	366845630	/nfs/dbraw/zinc/84/56/30/366845630.db2.gz	PLAASRWVGJXHBR-UHFFFAOYSA-N	-1	0	277.328	0.009	20	30		CCEDRM
N#CC1(CS(=O)(=O)N2CCCCC[C@@H]2C(=O)[O-])CC1	ZINC000614381733	364589188	/nfs/dbraw/zinc/58/91/88/364589188.db2.gz	GYFAPXOKVLXXLS-SNVBAGLBSA-N	-1	0	286.353	0.949	20	30		CCEDRM
Cn1cc(C#N)c(=NC(=O)N[C@H]2CCn3ccnc3C2)[n-]1	ZINC000614688648	364698598	/nfs/dbraw/zinc/69/85/98/364698598.db2.gz	YAVBNAQXVTUIBI-JTQLQIEISA-N	-1	0	285.311	0.047	20	30		CCEDRM
CCOC[C@H](C)NC(=O)N=c1[n-]n(C)cc1C#N	ZINC000614688614	364698945	/nfs/dbraw/zinc/69/89/45/364698945.db2.gz	UYDIRIAAZXSUDP-QMMMGPOBSA-N	-1	0	251.290	0.260	20	30		CCEDRM
C[C@@H](NC(=O)[C@@H](C)Oc1ccccc1C#N)C(=O)[O-]	ZINC000037434453	296094351	/nfs/dbraw/zinc/09/43/51/296094351.db2.gz	PZIGDGNVGOTRII-RKDXNWHRSA-N	-1	0	262.265	0.915	20	30		CCEDRM
C=CCCS(=O)(=O)N[C@H](C[C@@H](OC)C1CC1)C(=O)[O-]	ZINC000656170532	412758844	/nfs/dbraw/zinc/75/88/44/412758844.db2.gz	XYVJYJRVKZHGMM-GHMZBOCLSA-N	-1	0	291.369	0.750	20	30		CCEDRM
CC#CCNC(=O)c1ccc([N-]S(C)(=O)=O)nc1	ZINC000626302066	368509705	/nfs/dbraw/zinc/50/97/05/368509705.db2.gz	IMNZEMPETVZEBH-UHFFFAOYSA-N	-1	0	267.310	0.206	20	30		CCEDRM
Cn1cc(C#N)c(=NC(=O)c2cc(C3CC3)no2)[n-]1	ZINC000574263776	335004969	/nfs/dbraw/zinc/00/49/69/335004969.db2.gz	WQKOZVSDKZHLBL-UHFFFAOYSA-N	-1	0	257.253	0.831	20	30		CCEDRM
C=CC[C@H]1CCN(C(=O)Cc2n[n-]c(=NC)s2)C1	ZINC000628490865	369276084	/nfs/dbraw/zinc/27/60/84/369276084.db2.gz	ICRILZIPCIFDSJ-VIFPVBQESA-N	-1	0	266.370	0.969	20	30		CCEDRM
Cc1nsc(C)c1Cn1c(=O)[n-]cc(C#N)c1=O	ZINC000567366510	291478741	/nfs/dbraw/zinc/47/87/41/291478741.db2.gz	AQJHUAAXKXWNTR-UHFFFAOYSA-N	-1	0	262.294	0.530	20	30		CCEDRM
C=CC(C)(C)CCNS(=O)(=O)N1CCC[C@H]1C(=O)[O-]	ZINC000629332628	369632135	/nfs/dbraw/zinc/63/21/35/369632135.db2.gz	OSIQISQDSIDGCF-JTQLQIEISA-N	-1	0	290.385	0.972	20	30		CCEDRM
C=CCCCN(C)C(=O)C(=O)N1CC[C@@H](C(=O)[O-])[C@H](C)C1	ZINC000629771448	369771883	/nfs/dbraw/zinc/77/18/83/369771883.db2.gz	ALTDXPLGNHHUPQ-VXGBXAGGSA-N	-1	0	296.367	0.980	20	30		CCEDRM
C=CCOC[C@H](NC(=O)COc1cccnc1)C(=O)[O-]	ZINC000630185798	369995891	/nfs/dbraw/zinc/99/58/91/369995891.db2.gz	GZWCSPPIAFTVIZ-NSHDSACASA-N	-1	0	280.280	0.232	20	30		CCEDRM
C=CCOC[C@@H](NC(=O)C(C)(C)OCC)C(=O)[O-]	ZINC000630188414	369998436	/nfs/dbraw/zinc/99/84/36/369998436.db2.gz	WQAMIUWMGFPZGI-SECBINFHSA-N	-1	0	259.302	0.574	20	30		CCEDRM
C=CCN(C(=O)c1cc(C(=O)[O-])nn1C)[C@H](C)COC	ZINC000630207260	370008105	/nfs/dbraw/zinc/00/81/05/370008105.db2.gz	LCHWAGSZXHRZRO-SECBINFHSA-N	-1	0	281.312	0.781	20	30		CCEDRM
C=C(C)C[C@H](NC(=O)CN1CCCCC1=O)C(=O)[O-]	ZINC000630320965	370046969	/nfs/dbraw/zinc/04/69/69/370046969.db2.gz	CWKQFUMSXSBIHL-JTQLQIEISA-N	-1	0	268.313	0.535	20	30		CCEDRM
C=C(C)C[C@H](NC(=O)COCc1ccnn1C)C(=O)[O-]	ZINC000630323181	370046973	/nfs/dbraw/zinc/04/69/73/370046973.db2.gz	ZXXFVCSSYIIDFT-NSHDSACASA-N	-1	0	281.312	0.472	20	30		CCEDRM
C=C(C)C[C@@H](NC(=O)c1ccnc2c1nnn2C)C(=O)[O-]	ZINC000630321118	370047009	/nfs/dbraw/zinc/04/70/09/370047009.db2.gz	FSSHCRDJABTYAC-SECBINFHSA-N	-1	0	289.295	0.513	20	30		CCEDRM
C=C(C)[C@@H]1OCC[C@H]1CNC(=O)C1(C(=O)[O-])CC1	ZINC000630302811	370037802	/nfs/dbraw/zinc/03/78/02/370037802.db2.gz	HWJHKCUFUQXEDL-UWVGGRQHSA-N	-1	0	253.298	0.949	20	30		CCEDRM
C=C(C)C[C@@H](NC(=O)c1ccc(=O)n(C)c1)C(=O)[O-]	ZINC000630317735	370044908	/nfs/dbraw/zinc/04/49/08/370044908.db2.gz	UEMMQCKOXAVGBJ-SNVBAGLBSA-N	-1	0	264.281	0.535	20	30		CCEDRM
C=CCC[C@H](NC(=O)c1cccn(C)c1=O)C(=O)[O-]	ZINC000630181623	369994298	/nfs/dbraw/zinc/99/42/98/369994298.db2.gz	JCPKHNFHEPLWMO-JTQLQIEISA-N	-1	0	264.281	0.535	20	30		CCEDRM
C=CCOC[C@H](NC(=O)c1cc(C2CC2)n(C)n1)C(=O)[O-]	ZINC000630185671	369995037	/nfs/dbraw/zinc/99/50/37/369995037.db2.gz	FJXGIWUVQIUJLA-NSHDSACASA-N	-1	0	293.323	0.683	20	30		CCEDRM
C=C(C)C[C@H](NS(=O)(=O)[C@@H]1CCO[C@@H]1C)C(=O)[O-]	ZINC000630437983	370116178	/nfs/dbraw/zinc/11/61/78/370116178.db2.gz	KFEAOXPQGCBOJM-KXUCPTDWSA-N	-1	0	277.342	0.503	20	30		CCEDRM
C=C(C)C[C@@H](NS(=O)(=O)C[C@@H](C)COCC)C(=O)[O-]	ZINC000630438257	370117092	/nfs/dbraw/zinc/11/70/92/370117092.db2.gz	NTYOUUHBIOKSPN-WDEREUQCSA-N	-1	0	293.385	0.998	20	30		CCEDRM
C=CCOCC(=O)N=c1nc(C(C)(C)OC)[n-]s1	ZINC000634153565	371912469	/nfs/dbraw/zinc/91/24/69/371912469.db2.gz	MLGOFGBUEXJYGA-UHFFFAOYSA-N	-1	0	271.342	0.983	20	30		CCEDRM
C=CCCn1cc(CN[C@](C)(COC)C(=O)[O-])nn1	ZINC000656566840	412829077	/nfs/dbraw/zinc/82/90/77/412829077.db2.gz	XBIHUWLFTXUGRZ-GFCCVEGCSA-N	-1	0	268.317	0.434	20	30		CCEDRM
C=CCCNC(=O)N1CC[C@@H](OC)C[C@H]1C(=O)[O-]	ZINC000656588309	412831340	/nfs/dbraw/zinc/83/13/40/412831340.db2.gz	IWOIWSUGPRLMBG-ZJUUUORDSA-N	-1	0	256.302	0.836	20	30		CCEDRM
C=CCOCCCNC(=O)N1CCC[C@H]1C(=O)[O-]	ZINC000656595383	412833577	/nfs/dbraw/zinc/83/35/77/412833577.db2.gz	IRMNOBWUYPQNBU-JTQLQIEISA-N	-1	0	256.302	0.838	20	30		CCEDRM
C=CCOCCCNC(=O)N1CCSC[C@H]1C(=O)[O-]	ZINC000656595855	412833773	/nfs/dbraw/zinc/83/37/73/412833773.db2.gz	SSZFIIHDFHOPGU-JTQLQIEISA-N	-1	0	288.369	0.791	20	30		CCEDRM
C=CCCS(=O)(=O)N[C@@](C)(CCF)C(=O)[O-]	ZINC000656723308	412847016	/nfs/dbraw/zinc/84/70/16/412847016.db2.gz	FQINQMUIJMAKDP-VIFPVBQESA-N	-1	0	253.295	0.685	20	30		CCEDRM
C#CCOc1ccc(C(=O)N[C@@](C)(COC)C(=O)[O-])cc1	ZINC000262202889	190050610	/nfs/dbraw/zinc/05/06/10/190050610.db2.gz	RBZRHXBUASMGFQ-HNNXBMFYSA-N	-1	0	291.303	0.918	20	30		CCEDRM
CCc1nc(C)c(Cn2c(=O)[n-]cc(C#N)c2=O)o1	ZINC000570331567	291749549	/nfs/dbraw/zinc/74/95/49/291749549.db2.gz	CEGDVGJEJQVNDF-UHFFFAOYSA-N	-1	0	260.253	0.315	20	30		CCEDRM
N#C[C@@H]1COCCN1C(=O)c1ccc([N+](=O)[O-])cc1[O-]	ZINC000187268697	260030851	/nfs/dbraw/zinc/03/08/51/260030851.db2.gz	CWPQBJMCDNLVOH-SECBINFHSA-N	-1	0	277.236	0.665	20	30		CCEDRM
C#CC[N-]S(=O)(=O)[C@H](CC(=O)OCC)C(F)(F)F	ZINC000295405794	389006631	/nfs/dbraw/zinc/00/66/31/389006631.db2.gz	WUGJPDKMTDMBRV-SSDOTTSWSA-N	-1	0	287.259	0.423	20	30		CCEDRM
C=CCN(CC=C)C(=O)Cn1cc(C(=O)[O-])nn1	ZINC000090715414	389021718	/nfs/dbraw/zinc/02/17/18/389021718.db2.gz	PVNDKHDEMNFKTE-UHFFFAOYSA-N	-1	0	250.258	0.177	20	30		CCEDRM
C=CCN1CC[C@@H](N(C)C(=O)N=c2[n-]nc(C)s2)C1=O	ZINC000337240738	389057840	/nfs/dbraw/zinc/05/78/40/389057840.db2.gz	FLXCIJRERKTQBE-SECBINFHSA-N	-1	0	295.368	0.519	20	30		CCEDRM
CN1CCOC[C@H]1C(=O)Nc1n[nH]c(C(F)(F)F)n1	ZINC000328994987	389149083	/nfs/dbraw/zinc/14/90/83/389149083.db2.gz	UEMGNVBCKIFNTN-YFKPBYRVSA-N	-1	0	279.222	0.742	20	30		CCEDRM
CC(C)n1cnnc1CNC(=O)N=c1[n-]ncs1	ZINC000330598505	389244971	/nfs/dbraw/zinc/24/49/71/389244971.db2.gz	FSBRYNRSYCCKAX-UHFFFAOYSA-N	-1	0	267.318	0.659	20	30		CCEDRM
CC#CCCNC(=O)C(=O)N=c1ccc(OC(C)C)n[n-]1	ZINC000342314065	389210418	/nfs/dbraw/zinc/21/04/18/389210418.db2.gz	MOJHHVUUASJHIA-UHFFFAOYSA-N	-1	0	290.323	0.154	20	30		CCEDRM
N#CC1(CS(=O)(=O)N[C@@H](CO)CC(F)(F)F)CC1	ZINC000361809710	389224836	/nfs/dbraw/zinc/22/48/36/389224836.db2.gz	RYROLCVFLLQJFT-SSDOTTSWSA-N	-1	0	286.275	0.523	20	30		CCEDRM
CC(C)(C)c1n[n-]c(=NC(=O)C(=O)NCCCC#N)s1	ZINC000344434204	389281431	/nfs/dbraw/zinc/28/14/31/389281431.db2.gz	VKNYXORCVDXFJW-UHFFFAOYSA-N	-1	0	295.368	0.616	20	30		CCEDRM
Cc1ccc([N-]S(C)(=O)=O)c(C(=O)N(C)CC#N)c1	ZINC000263815344	389302243	/nfs/dbraw/zinc/30/22/43/389302243.db2.gz	PDYUIRMHGMNRCA-UHFFFAOYSA-N	-1	0	281.337	0.962	20	30		CCEDRM
CC(C)[C@H](CNS(=O)(=O)c1ccc(C#N)nc1)C(=O)[O-]	ZINC000159658008	389370772	/nfs/dbraw/zinc/37/07/72/389370772.db2.gz	FUCUFQUWFNTWEN-NSHDSACASA-N	-1	0	297.336	0.588	20	30		CCEDRM
C=CCS(=O)(=O)[N-]C(=O)[C@H]1CCO[C@H](CC)C1	ZINC000408396704	389346346	/nfs/dbraw/zinc/34/63/46/389346346.db2.gz	UVGGEYAYGZFEGM-VHSXEESVSA-N	-1	0	261.343	0.824	20	30		CCEDRM
C=CC[C@H](CO)NS(=O)(=O)Cc1cc(C)no1	ZINC000350019419	389477692	/nfs/dbraw/zinc/47/76/92/389477692.db2.gz	VJBKCRHCFLGZQZ-SECBINFHSA-N	-1	0	260.315	0.339	20	30		CCEDRM
CNS(=O)(=O)c1cc(C(=O)NC2(C#N)CCCC2)co1	ZINC000270035558	389427701	/nfs/dbraw/zinc/42/77/01/389427701.db2.gz	HXJBTKPHDJQJBX-UHFFFAOYSA-N	-1	0	297.336	0.754	20	30		CCEDRM
C=CCCn1cc(C(=O)N2CCC[C@H]2CC(=O)[O-])nn1	ZINC000425263036	389643831	/nfs/dbraw/zinc/64/38/31/389643831.db2.gz	ZMXQPDAQCKCVSL-JTQLQIEISA-N	-1	0	278.312	0.934	20	30		CCEDRM
C=C(C)[C@H]1OCC[C@H]1C(=O)N(C)C[C@@H](C)c1nnn[n-]1	ZINC000280302064	389599120	/nfs/dbraw/zinc/59/91/20/389599120.db2.gz	QVBBFQLDFVKRDB-GMTAPVOTSA-N	-1	0	279.344	0.743	20	30		CCEDRM
Cc1[n-][nH]c(=NC(=O)[C@H](C)NC(=O)c2ccco2)c1C#N	ZINC000431686489	389864703	/nfs/dbraw/zinc/86/47/03/389864703.db2.gz	QYVHCRABXJONKO-QMMMGPOBSA-N	-1	0	287.279	0.362	20	30		CCEDRM
Cc1cc(C)n2[n-]c(=NC(=O)N(C)[C@H](C)CC#N)nc2n1	ZINC000444404758	389906374	/nfs/dbraw/zinc/90/63/74/389906374.db2.gz	VORMCUJDEAIEDW-SECBINFHSA-N	-1	0	287.327	0.929	20	30		CCEDRM
COCC1(CC(=O)Nc2nc(C#N)c(C#N)[n-]2)CC1	ZINC000578993468	390132166	/nfs/dbraw/zinc/13/21/66/390132166.db2.gz	VSVMQMTUHHIREF-UHFFFAOYSA-N	-1	0	259.269	0.908	20	30		CCEDRM
C=CCn1cc(C(=O)N2CC[C@H](C(=O)[O-])C2)nn1	ZINC000647727689	390148600	/nfs/dbraw/zinc/14/86/00/390148600.db2.gz	ZVIILCCCDPTCAX-QMMMGPOBSA-N	-1	0	250.258	0.011	20	30		CCEDRM
C=CCn1cc(CNC(=O)NCCCCC(=O)[O-])nn1	ZINC000644178041	390156745	/nfs/dbraw/zinc/15/67/45/390156745.db2.gz	PADATGXLBUSVTE-UHFFFAOYSA-N	-1	0	281.316	0.518	20	30		CCEDRM
C=CCS(=O)(=O)[N-]C(=O)[C@H](C)NC(=O)OC(C)(C)C	ZINC000494484158	390176356	/nfs/dbraw/zinc/17/63/56/390176356.db2.gz	GIAXDRBASLHKHE-QMMMGPOBSA-N	-1	0	292.357	0.532	20	30		CCEDRM
N#CC1(C(=O)N2CCC[C@@H](c3nnn[n-]3)C2)CCC1	ZINC000539326406	390205375	/nfs/dbraw/zinc/20/53/75/390205375.db2.gz	WNQMMWLVRYRQPW-SECBINFHSA-N	-1	0	260.301	0.600	20	30		CCEDRM
C=CC[C@H](NS(=O)(=O)CCOCC1CC1)C(=O)[O-]	ZINC000644571104	390255098	/nfs/dbraw/zinc/25/50/98/390255098.db2.gz	LIQSQWKLQRTFED-JTQLQIEISA-N	-1	0	277.342	0.362	20	30		CCEDRM
C=CCCCS(=O)(=O)N(CCO)[C@H](C)CC(=O)[O-]	ZINC000644629287	390269870	/nfs/dbraw/zinc/26/98/70/390269870.db2.gz	PJEDAKIEQZYEKD-SNVBAGLBSA-N	-1	0	279.358	0.440	20	30		CCEDRM
C=CCCCCCNC(=O)C(=O)N=c1ccc(OC)n[n-]1	ZINC000582250499	390273762	/nfs/dbraw/zinc/27/37/62/390273762.db2.gz	SZNSNEJIPHHSKL-UHFFFAOYSA-N	-1	0	292.339	0.708	20	30		CCEDRM
Cc1ccc(-n2[n-]c(C(=O)NCC#CCO)cc2=O)cc1	ZINC000554856818	390443394	/nfs/dbraw/zinc/44/33/94/390443394.db2.gz	HPKKZEZZFQTWED-UHFFFAOYSA-N	-1	0	285.303	0.200	20	30		CCEDRM
Cc1c(C#N)c(=NC(=O)[C@H]2CCC(=O)C[C@H]2C)[n-]n1C	ZINC000648434304	390372370	/nfs/dbraw/zinc/37/23/70/390372370.db2.gz	FXDNXTGYZBLZRN-KCJUWKMLSA-N	-1	0	274.324	0.966	20	30		CCEDRM
C=C(C)[C@H]1OCC[C@H]1C(=O)N1CCC[C@H](c2nnn[n-]2)C1	ZINC000514769501	390468794	/nfs/dbraw/zinc/46/87/94/390468794.db2.gz	AGUYRSBAQBLECO-QJPTWQEYSA-N	-1	0	291.355	0.887	20	30		CCEDRM
C=CCCCS(=O)(=O)N[C@@]1(CC(=O)[O-])CCOC1	ZINC000566117837	390581427	/nfs/dbraw/zinc/58/14/27/390581427.db2.gz	QOYHNVLEVAHYGF-LLVKDONJSA-N	-1	0	277.342	0.506	20	30		CCEDRM
C=C(C)C[C@H](C)C(=O)N1Cc2nncn2C[C@@H]1C(=O)[O-]	ZINC000643858374	390585033	/nfs/dbraw/zinc/58/50/33/390585033.db2.gz	ACTHCTITTNFPFM-VHSXEESVSA-N	-1	0	278.312	0.676	20	30		CCEDRM
C=CCn1cc(C(=O)N2CCSC[C@@H]2CC(=O)[O-])nn1	ZINC000649244817	390535284	/nfs/dbraw/zinc/53/52/84/390535284.db2.gz	XHYVARGDRHMFEW-VIFPVBQESA-N	-1	0	296.352	0.496	20	30		CCEDRM
C=CCn1cc(C(=O)N[C@@H](C(=O)[O-])C2CC2)nn1	ZINC000649244867	390535332	/nfs/dbraw/zinc/53/53/32/390535332.db2.gz	ZHNPZIIJGSASNR-SECBINFHSA-N	-1	0	250.258	0.057	20	30		CCEDRM
C=CCCCS(=O)(=O)N[C@]1(C(=O)[O-])CCSC1	ZINC000565715448	390538626	/nfs/dbraw/zinc/53/86/26/390538626.db2.gz	YJCYNSWYQPOUIK-SNVBAGLBSA-N	-1	0	279.383	0.832	20	30		CCEDRM
C=CCn1cc(C(=O)NC[C@@H](CC)C(=O)[O-])nn1	ZINC000649264928	390541319	/nfs/dbraw/zinc/54/13/19/390541319.db2.gz	LWRQOKGSBJNUFM-MRVPVSSYSA-N	-1	0	252.274	0.305	20	30		CCEDRM
C=CCOCCNC(=O)N1CC[C@@H](C)[C@H](C(=O)[O-])C1	ZINC000646154740	390620061	/nfs/dbraw/zinc/62/00/61/390620061.db2.gz	CRLQTZARADEZIF-GHMZBOCLSA-N	-1	0	270.329	0.941	20	30		CCEDRM
CCN(C[C@H](C)C#N)S(=O)(=O)NC[C@H](C)C(=O)[O-]	ZINC000566564049	390629805	/nfs/dbraw/zinc/62/98/05/390629805.db2.gz	LOBITLBSLFZCPQ-BDAKNGLRSA-N	-1	0	277.346	0.023	20	30		CCEDRM
C=C(C)CS(=O)(=O)N1CCC[C@]1(COC)C(=O)[O-]	ZINC000643971456	390611266	/nfs/dbraw/zinc/61/12/66/390611266.db2.gz	SAWXHEKASQEZNW-NSHDSACASA-N	-1	0	277.342	0.458	20	30		CCEDRM
C=CCOC[C@H](NS(=O)(=O)c1cccnc1)C(=O)[O-]	ZINC000569689769	390716183	/nfs/dbraw/zinc/71/61/83/390716183.db2.gz	ROHNUWQZHXTQRS-JTQLQIEISA-N	-1	0	286.309	0.016	20	30		CCEDRM
CC(=O)N[C@H](C(=O)N=c1[nH][n-]c(C)c1C#N)C(C)C	ZINC000570841013	390721189	/nfs/dbraw/zinc/72/11/89/390721189.db2.gz	YHOCDSMQOUBVAA-JTQLQIEISA-N	-1	0	263.301	0.111	20	30		CCEDRM
N#Cc1ccc(C(=O)N2CCC[C@H](c3nnn[n-]3)C2)cc1O	ZINC000526944879	390685022	/nfs/dbraw/zinc/68/50/22/390685022.db2.gz	ZWXKBOFUXKDWSD-NSHDSACASA-N	-1	0	298.306	0.797	20	30		CCEDRM
C[C@@H]1C[C@H](C)CN(S(=O)(=O)[N-]c2nn(C)cc2C#N)C1	ZINC000531780775	390878402	/nfs/dbraw/zinc/87/84/02/390878402.db2.gz	LTHPWCRRTNPEJV-AOOOYVTPSA-N	-1	0	297.384	0.926	20	30		CCEDRM
C=CCCN(C)C(=O)C(=O)N[C@@H]1CC[C@H](C(=O)[O-])C1	ZINC000647591765	390844615	/nfs/dbraw/zinc/84/46/15/390844615.db2.gz	JHCYTOYTDDOJJS-VHSXEESVSA-N	-1	0	268.313	0.390	20	30		CCEDRM
Cc1nc([N-]S(=O)(=O)c2cncc(C#N)c2)no1	ZINC000357376900	144086364	/nfs/dbraw/zinc/08/63/64/144086364.db2.gz	XHKIUCLXAZZEQY-UHFFFAOYSA-N	-1	0	265.254	0.446	20	30		CCEDRM
N#Cc1nc(N)n(CC(=O)Nc2ccccc2O)c1C#N	ZINC000358936988	144187618	/nfs/dbraw/zinc/18/76/18/144187618.db2.gz	SHNIECHNMXQCPZ-UHFFFAOYSA-N	-1	0	282.263	0.383	20	30		CCEDRM
COC[C@@H](C(=O)[O-])N(C)S(=O)(=O)c1ccc(C#N)cc1	ZINC000548560476	286048182	/nfs/dbraw/zinc/04/81/82/286048182.db2.gz	LPTZFRNNEVQAPG-NSHDSACASA-N	-1	0	298.320	0.278	20	30		CCEDRM
C#CCN(CC#CC)C(=O)CCSCC(=O)[O-]	ZINC000736076159	581694256	/nfs/dbraw/zinc/69/42/56/581694256.db2.gz	AQESZOFEJQKWJV-UHFFFAOYSA-N	-1	0	253.323	0.679	20	30		CCEDRM
C=CCN(C)C(=O)C(=O)Nc1ccn(C(C)(C)C(=O)[O-])n1	ZINC000659059591	413270568	/nfs/dbraw/zinc/27/05/68/413270568.db2.gz	UPBIKVCIOSRLKI-UHFFFAOYSA-N	-1	0	294.311	0.286	20	30		CCEDRM
C=CCOC[C@H](NC(=O)C[C@@H](C)[C@H]1CCCO1)C(=O)[O-]	ZINC000659156546	413318742	/nfs/dbraw/zinc/31/87/42/413318742.db2.gz	NAQIQNOVMOFOIF-GRYCIOLGSA-N	-1	0	285.340	0.964	20	30		CCEDRM
C=CC[C@@H]1CCCN(C(=O)Cn2cc(C(=O)[O-])nn2)C1	ZINC000659169520	413324026	/nfs/dbraw/zinc/32/40/26/413324026.db2.gz	DOCAZZGHUVUBDW-SNVBAGLBSA-N	-1	0	278.312	0.791	20	30		CCEDRM
C=CCOCCCNC(=O)c1cnc(C(=O)[O-])cn1	ZINC000659192339	413337566	/nfs/dbraw/zinc/33/75/66/413337566.db2.gz	LFQXLLWSUIYOAQ-UHFFFAOYSA-N	-1	0	265.269	0.497	20	30		CCEDRM
CC(C)[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)[O-]	ZINC000020565878	171254487	/nfs/dbraw/zinc/25/44/87/171254487.db2.gz	CFLDCNYEHXVHTP-NSHDSACASA-N	-1	0	282.321	0.946	20	30		CCEDRM
C=CCOC[C@@H](NC(=O)c1cc(C)nn1CC)C(=O)[O-]	ZINC000653658097	412331178	/nfs/dbraw/zinc/33/11/78/412331178.db2.gz	XDKKPDCFFIVEPP-SNVBAGLBSA-N	-1	0	281.312	0.597	20	30		CCEDRM
C=CCN(CC(=O)[O-])S(=O)(=O)c1ccc2c(c1)OCO2	ZINC000076870467	177125386	/nfs/dbraw/zinc/12/53/86/177125386.db2.gz	LGQWQHXHOLVNHX-UHFFFAOYSA-N	-1	0	299.304	0.677	20	30		CCEDRM
O=C(N=c1cn[n-]s1)NC[C@@]1(CCO)CCOC1	ZINC000330259101	228083093	/nfs/dbraw/zinc/08/30/93/228083093.db2.gz	NBHOXYPPXXMBGS-SNVBAGLBSA-N	-1	0	272.330	0.653	20	30		CCEDRM
N#CCSCC(=O)Nc1ccc(-n2nn[n-]c2=O)cc1	ZINC000357203894	260148360	/nfs/dbraw/zinc/14/83/60/260148360.db2.gz	MRWBEUWGDZBCRJ-UHFFFAOYSA-N	-1	0	290.308	0.563	20	30		CCEDRM
C=C(C)[C@@H]1OCC[C@H]1C(=O)N=c1[nH][n-]c(C)c1C#N	ZINC000357256049	260169409	/nfs/dbraw/zinc/16/94/09/260169409.db2.gz	KFFFFNAZJSOVLK-KOLCDFICSA-N	-1	0	260.297	0.931	20	30		CCEDRM
C=CCN(CC(=O)[O-])C(=O)[C@@H]1CC(=O)N(C2CCCC2)C1	ZINC000092462536	260270665	/nfs/dbraw/zinc/27/06/65/260270665.db2.gz	PYKXLLLOEIUOCY-LLVKDONJSA-N	-1	0	294.351	0.877	20	30		CCEDRM
C[C@@H](C(=O)N1CC(n2cc(C#N)c(=O)[n-]c2=O)C1)C1CC1	ZINC000530270555	269820788	/nfs/dbraw/zinc/82/07/88/269820788.db2.gz	NNZGEHGZEUDIAB-MRVPVSSYSA-N	-1	0	288.307	0.250	20	30		CCEDRM
C#C[C@H](NS(=O)(=O)c1cccnc1[N+](=O)[O-])C(C)C	ZINC000490949966	261262554	/nfs/dbraw/zinc/26/25/54/261262554.db2.gz	NLUSXGRTPWHZSW-VIFPVBQESA-N	-1	0	283.309	0.926	20	30		CCEDRM
COC[C@@](C)(C#N)NC(=O)c1ccc([O-])c([N+](=O)[O-])c1	ZINC000273396401	263016533	/nfs/dbraw/zinc/01/65/33/263016533.db2.gz	HLDQABDWQSSMIH-GFCCVEGCSA-N	-1	0	279.252	0.959	20	30		CCEDRM
C=CC[C@H](CO)NC(=O)NCCCCCC(=O)[O-]	ZINC000414630528	263017172	/nfs/dbraw/zinc/01/71/72/263017172.db2.gz	UPRHGXAEBUDSKY-SNVBAGLBSA-N	-1	0	258.318	0.868	20	30		CCEDRM
CC[C@@H](C)[C@@H](NS(=O)(=O)N(C)CCC#N)C(=O)[O-]	ZINC000340546181	263194837	/nfs/dbraw/zinc/19/48/37/263194837.db2.gz	YRTBGIKFSOHDAI-RKDXNWHRSA-N	-1	0	277.346	0.166	20	30		CCEDRM
C=CC[C@@H](CO)CN=c1ccc(C(=O)OC)n[n-]1	ZINC000340903409	263308760	/nfs/dbraw/zinc/30/87/60/263308760.db2.gz	VKCCZLFREHQFKZ-SECBINFHSA-N	-1	0	251.286	0.282	20	30		CCEDRM
CN(C)c1nc(C(=O)NC[C@@H]2CCCO2)cc(=O)[nH]1	ZINC000330915320	264092604	/nfs/dbraw/zinc/09/26/04/264092604.db2.gz	JWXQERUJPCNFBM-QMMMGPOBSA-N	-1	0	266.301	0.732	20	30		CCEDRM
CCN(C[C@@H](C)C#N)C(=O)c1cnc([O-])n(C)c1=O	ZINC000331254577	264182283	/nfs/dbraw/zinc/18/22/83/264182283.db2.gz	XEWUTCIUIOCGGI-QMMMGPOBSA-N	-1	0	264.285	0.108	20	30		CCEDRM
CC(C)NC(=O)C/N=C(/[O-])Nc1cccn(C)c1=O	ZINC000331256965	264183261	/nfs/dbraw/zinc/18/32/61/264183261.db2.gz	WYRUAWQGQVWWJG-UHFFFAOYSA-N	-1	0	266.301	0.236	20	30		CCEDRM
CN(CCCC(=O)[O-])S(=O)(=O)CC1(C#N)CCC1	ZINC000417416088	264235478	/nfs/dbraw/zinc/23/54/78/264235478.db2.gz	HONXWVGGSSFHBC-UHFFFAOYSA-N	-1	0	274.342	0.807	20	30		CCEDRM
C=CC[C@@H](NS(=O)(=O)N1CCCC[C@H]1C)C(=O)[O-]	ZINC000252094722	264298576	/nfs/dbraw/zinc/29/85/76/264298576.db2.gz	FHHRSHZUDNCCIQ-NXEZZACHSA-N	-1	0	276.358	0.725	20	30		CCEDRM
C#CCO[N-]C(=O)[C@H](CNC(=O)OC(C)(C)C)OC	ZINC000291257272	264816173	/nfs/dbraw/zinc/81/61/73/264816173.db2.gz	MOGZKCFGDDJYOA-VIFPVBQESA-N	-1	0	272.301	0.207	20	30		CCEDRM
C=CCCCS(=O)(=O)N[C@H](CCC(=O)OC)C(=O)[O-]	ZINC000291940940	264850219	/nfs/dbraw/zinc/85/02/19/264850219.db2.gz	YEGFEEISKXHHCV-SECBINFHSA-N	-1	0	293.341	0.278	20	30		CCEDRM
C=CCN(CC(=O)[O-])S(=O)(=O)c1ccc(C)o1	ZINC000514600167	266012465	/nfs/dbraw/zinc/01/24/65/266012465.db2.gz	MJGWALFSIRPCBA-UHFFFAOYSA-N	-1	0	259.283	0.849	20	30		CCEDRM
CN([C@H]1C[C@@H](C(=O)[O-])C1)S(=O)(=O)c1ccc(C#N)nc1	ZINC000530143708	267327548	/nfs/dbraw/zinc/32/75/48/267327548.db2.gz	OLVNWXNKSJZSLN-WAAGHKOSSA-N	-1	0	295.320	0.437	20	30		CCEDRM
CC#CC[C@@H](NS(=O)(=O)C[C@H]1CCCCO1)C(=O)[O-]	ZINC000274933553	277928237	/nfs/dbraw/zinc/92/82/37/277928237.db2.gz	CVTLTWRUJHKKOF-GHMZBOCLSA-N	-1	0	289.353	0.342	20	30		CCEDRM
C=CCCCS(=O)(=O)N1CC[C@](COC)(C(=O)[O-])C1	ZINC000575248781	335088764	/nfs/dbraw/zinc/08/87/64/335088764.db2.gz	TVHDKKYOTMLAEQ-LBPRGKRZSA-N	-1	0	291.369	0.706	20	30		CCEDRM
CN1CCO[C@@H]2CN(C(=O)N=c3cn[n-]s3)C[C@H]21	ZINC000330269914	290097849	/nfs/dbraw/zinc/09/78/49/290097849.db2.gz	SOXGYABGTSCCKY-HTQZYQBOSA-N	-1	0	269.330	0.098	20	30		CCEDRM
CN=c1[n-]nc(CC(=O)NC2(C#N)CCSCC2)s1	ZINC000353876616	290328244	/nfs/dbraw/zinc/32/82/44/290328244.db2.gz	STSKHDOHHBGXAW-UHFFFAOYSA-N	-1	0	297.409	0.450	20	30		CCEDRM
C=CCC[C@@H](NS(=O)(=O)c1cnc2n1CCC2)C(=O)[O-]	ZINC000571111185	328086314	/nfs/dbraw/zinc/08/63/14/328086314.db2.gz	ZZLBTKXJIPXZMN-SECBINFHSA-N	-1	0	299.352	0.527	20	30		CCEDRM
CC(C)[C@@H](CNS(=O)(=O)CC1(CC#N)CC1)C(=O)[O-]	ZINC000582363871	328970044	/nfs/dbraw/zinc/97/00/44/328970044.db2.gz	MEMJYFCGDIBWPU-SNVBAGLBSA-N	-1	0	288.369	0.956	20	30		CCEDRM
COc1cc[nH]c(=O)c1C(=O)N=c1[nH][n-]c(C2CC2)c1C#N	ZINC000582567088	329109257	/nfs/dbraw/zinc/10/92/57/329109257.db2.gz	RXSBLDPPRXWOIP-UHFFFAOYSA-N	-1	0	299.290	0.942	20	30		CCEDRM
Cn1ccnc1-c1cc(=NC(=O)[C@@H](N)CCCC#N)[nH][n-]1	ZINC000583320764	329451005	/nfs/dbraw/zinc/45/10/05/329451005.db2.gz	MRZZETMXIOLGMT-VIFPVBQESA-N	-1	0	287.327	0.192	20	30		CCEDRM
C=CCN(Cc1cccs1)C(=O)C(=O)NCCC(=O)[O-]	ZINC000420601682	329778661	/nfs/dbraw/zinc/77/86/61/329778661.db2.gz	QPJLTGYLJZCTGG-UHFFFAOYSA-N	-1	0	296.348	0.854	20	30		CCEDRM
C=CCOCCCC(=O)N1C[C@H](OC)C[C@H]1C(=O)[O-]	ZINC000262171095	330001355	/nfs/dbraw/zinc/00/13/55/330001355.db2.gz	QLUMBSOBGVMGTB-MNOVXSKESA-N	-1	0	271.313	0.670	20	30		CCEDRM
CC(C)[C@@H](NS(=O)(=O)N(C)C[C@H](C)C#N)C(=O)[O-]	ZINC000263537463	330059219	/nfs/dbraw/zinc/05/92/19/330059219.db2.gz	AHRSYNIEBQDZCE-RKDXNWHRSA-N	-1	0	277.346	0.021	20	30		CCEDRM
C=CCOCCCC(=O)N[C@H](C(=O)[O-])[C@@H]1CCCOC1	ZINC000262724463	330028783	/nfs/dbraw/zinc/02/87/83/330028783.db2.gz	GDHWKTHDLMEZEW-YPMHNXCESA-N	-1	0	285.340	0.965	20	30		CCEDRM
C=CCC[C@H](NC(=O)Cn1cc([N+](=O)[O-])nc1C)C(=O)[O-]	ZINC000262833570	330034682	/nfs/dbraw/zinc/03/46/82/330034682.db2.gz	GDCWJUHWVBULTH-VIFPVBQESA-N	-1	0	296.283	0.635	20	30		CCEDRM
C[C@@H](CN(C)C(=O)C1(C#N)CCOCC1)C(=O)[O-]	ZINC000262905113	330036815	/nfs/dbraw/zinc/03/68/15/330036815.db2.gz	BYGOXSZIAYEPSK-VIFPVBQESA-N	-1	0	254.286	0.486	20	30		CCEDRM
C=CCOC[C@H](NC(=O)[C@@]1(C)CC1(F)F)C(=O)[O-]	ZINC000263294037	330051789	/nfs/dbraw/zinc/05/17/89/330051789.db2.gz	ZFBFUVJQANVHKK-OIBJUYFYSA-N	-1	0	263.240	0.804	20	30		CCEDRM
C=CCNC(=O)c1ccc(N2CC(C(=O)[O-])C2)nc1	ZINC000263546526	330059401	/nfs/dbraw/zinc/05/94/01/330059401.db2.gz	HIKKDHIYGDVIHR-UHFFFAOYSA-N	-1	0	261.281	0.518	20	30		CCEDRM
C[C@@H]1C[C@H](C(=O)[O-])CN(S(=O)(=O)N(C)CCC#N)C1	ZINC000422555263	330149168	/nfs/dbraw/zinc/14/91/68/330149168.db2.gz	OQSFIWSZRPRHDT-ZJUUUORDSA-N	-1	0	289.357	0.119	20	30		CCEDRM
C=C[C@H](CO)NC(=O)NCC(CC)(CC)C(=O)[O-]	ZINC000424434057	330351894	/nfs/dbraw/zinc/35/18/94/330351894.db2.gz	SOOZHUXWDYPMDK-SECBINFHSA-N	-1	0	258.318	0.724	20	30		CCEDRM
C=CCCCNC(=O)C(=O)NC[C@@H](CC(C)C)C(=O)[O-]	ZINC000424504470	330360483	/nfs/dbraw/zinc/36/04/83/330360483.db2.gz	QYSQTPCDDIXQDX-LLVKDONJSA-N	-1	0	284.356	0.932	20	30		CCEDRM
CC[C@H](C#N)S(=O)(=O)[N-]c1ccc(C(N)=O)cc1	ZINC000088475032	330376501	/nfs/dbraw/zinc/37/65/01/330376501.db2.gz	FOMNNEZXKLKYGB-SNVBAGLBSA-N	-1	0	267.310	0.829	20	30		CCEDRM
CC#CCCNC(=O)C(=O)N=c1[n-]nc(C(C)(C)C)s1	ZINC000440706328	330754692	/nfs/dbraw/zinc/75/46/92/330754692.db2.gz	SEDNYCOSQJCXKL-UHFFFAOYSA-N	-1	0	294.380	0.726	20	30		CCEDRM
C#C[C@@H]1COCCN1C(=O)NCCCCCC(=O)[O-]	ZINC000491385912	332202164	/nfs/dbraw/zinc/20/21/64/332202164.db2.gz	SSXYFQITOUBIGD-LLVKDONJSA-N	-1	0	268.313	0.675	20	30		CCEDRM
C#CCN(CC#CC)S(=O)(=O)c1ccc(C(=O)[O-])o1	ZINC000491631261	332253888	/nfs/dbraw/zinc/25/38/88/332253888.db2.gz	QAZSRYZHEIEXCK-UHFFFAOYSA-N	-1	0	281.289	0.625	20	30		CCEDRM
N#CC1(CS(=O)(=O)[N-]C(=O)/C=C/C2CC2)CC1	ZINC000492915563	332418508	/nfs/dbraw/zinc/41/85/08/332418508.db2.gz	WTBJSWNZZBWJDN-ONEGZZNKSA-N	-1	0	254.311	0.702	20	30		CCEDRM
C#CCCS(=O)(=O)[N-]C(=O)/C=C/c1cnn(C)c1C	ZINC000493446964	332440557	/nfs/dbraw/zinc/44/05/57/332440557.db2.gz	FYQCVWWZEVXVRL-VOTSOKGWSA-N	-1	0	281.337	0.211	20	30		CCEDRM
C#CCN(CC#N)S(=O)(=O)c1cccc(C(=O)[O-])c1	ZINC000305902925	333002247	/nfs/dbraw/zinc/00/22/47/333002247.db2.gz	CSEFRDBVHIPQSK-UHFFFAOYSA-N	-1	0	278.289	0.532	20	30		CCEDRM
C[C@@H]1[C@@H](C(=O)[O-])CCN1S(=O)(=O)CC1(CC#N)CC1	ZINC000575806862	335117362	/nfs/dbraw/zinc/11/73/62/335117362.db2.gz	VEZSLOTYLNEFIA-ZJUUUORDSA-N	-1	0	286.353	0.805	20	30		CCEDRM
C=C(C)CS(=O)(=O)N(CCO)[C@H](C)CC(=O)[O-]	ZINC000516870673	333084887	/nfs/dbraw/zinc/08/48/87/333084887.db2.gz	KILHBEUDOHQVGR-SECBINFHSA-N	-1	0	265.331	0.050	20	30		CCEDRM
C=CCNC(=O)CN=c1nc([C@H](C)OC)[n-]s1	ZINC000337784026	335130107	/nfs/dbraw/zinc/13/01/07/335130107.db2.gz	ACXVGABBJJBTDP-ZETCQYMHSA-N	-1	0	256.331	0.382	20	30		CCEDRM
C=CCSCCNC(=O)N1C[C@@H](OC)C[C@H]1C(=O)[O-]	ZINC000231957355	333332232	/nfs/dbraw/zinc/33/22/32/333332232.db2.gz	QZPQRMKBCZHGDB-UWVGGRQHSA-N	-1	0	288.369	0.789	20	30		CCEDRM
CC(C)(C)n1cnc(=NC(=O)N2CCO[C@H](C#N)C2)[n-]1	ZINC000541507133	333777657	/nfs/dbraw/zinc/77/76/57/333777657.db2.gz	OOWNLHORVYOKKG-SECBINFHSA-N	-1	0	278.316	0.211	20	30		CCEDRM
C=C(C)CS(=O)(=O)N1CC[C@@H](C(=O)[O-])[C@H](C)C1	ZINC000576224291	335173124	/nfs/dbraw/zinc/17/31/24/335173124.db2.gz	JCRGPZWLGOYHPG-NXEZZACHSA-N	-1	0	261.343	0.935	20	30		CCEDRM
CN(CCC#N)S(=O)(=O)NCC1(CC(=O)[O-])CCC1	ZINC000548266458	334147863	/nfs/dbraw/zinc/14/78/63/334147863.db2.gz	VMTIRRQQPQWGAR-UHFFFAOYSA-N	-1	0	289.357	0.311	20	30		CCEDRM
C[C@@H]1SC[C@@H](C(=O)[O-])N1S(=O)(=O)CCCCC#N	ZINC000548556263	334162520	/nfs/dbraw/zinc/16/25/20/334162520.db2.gz	UXWZLMXDVOKVFC-IUCAKERBSA-N	-1	0	292.382	0.858	20	30		CCEDRM
CN(CCC#N)S(=O)(=O)N[C@H](CC(C)(C)C)C(=O)[O-]	ZINC000548555101	334162522	/nfs/dbraw/zinc/16/25/22/334162522.db2.gz	SDDWFFKLIBYNHN-SECBINFHSA-N	-1	0	291.373	0.556	20	30		CCEDRM
C[C@@]1(C(=O)[O-])CCC[C@H]1NS(=O)(=O)CCCC#N	ZINC000548556833	334162532	/nfs/dbraw/zinc/16/25/32/334162532.db2.gz	QEZKNRUXGZAJJC-MWLCHTKSSA-N	-1	0	274.342	0.853	20	30		CCEDRM
C[C@]1(C(=O)[O-])CCC[C@@H]1NS(=O)(=O)CCCC#N	ZINC000548556834	334162566	/nfs/dbraw/zinc/16/25/66/334162566.db2.gz	QEZKNRUXGZAJJC-ONGXEEELSA-N	-1	0	274.342	0.853	20	30		CCEDRM
Cc1ccc([N-]S(C)(=O)=O)c(C(=O)NCC#CCO)c1	ZINC000550100833	334213163	/nfs/dbraw/zinc/21/31/63/334213163.db2.gz	HJAYQVRITRHKLP-UHFFFAOYSA-N	-1	0	296.348	0.092	20	30		CCEDRM
C#CCN(CC#C)C(=O)c1ccc2c(=O)[nH]c(=S)[n-]c2c1	ZINC000156413686	334742225	/nfs/dbraw/zinc/74/22/25/334742225.db2.gz	YGFFCDDFWZIGPC-UHFFFAOYSA-N	-1	0	297.339	0.920	20	30		CCEDRM
N#CCC1(CS(=O)(=O)NCC2(C(=O)[O-])CCC2)CC1	ZINC000568001155	334783075	/nfs/dbraw/zinc/78/30/75/334783075.db2.gz	PCWMAWXMQQJWCA-UHFFFAOYSA-N	-1	0	286.353	0.855	20	30		CCEDRM
N#Cc1cncc(S(=O)(=O)N2C[C@@H]3C[C@]3(C(=O)[O-])C2)c1	ZINC000576558242	335218683	/nfs/dbraw/zinc/21/86/83/335218683.db2.gz	CCMGHKPDQIZPPW-CABZTGNLSA-N	-1	0	293.304	0.048	20	30		CCEDRM
N#CCC1(CS(=O)(=O)N2CC(C(=O)[O-])C2)CC1	ZINC000576587627	335222904	/nfs/dbraw/zinc/22/29/04/335222904.db2.gz	FIEHUIWGGIHFIV-UHFFFAOYSA-N	-1	0	258.299	0.026	20	30		CCEDRM
CC[C@@H](CCNS(=O)(=O)CC1(C#N)CC1)C(=O)[O-]	ZINC000576713630	335238890	/nfs/dbraw/zinc/23/88/90/335238890.db2.gz	JZKOACHIJHQJKM-VIFPVBQESA-N	-1	0	274.342	0.710	20	30		CCEDRM
C=C[C@H](CCC(=O)[O-])NS(=O)(=O)[C@@H](C)CCOC	ZINC000576834092	335253547	/nfs/dbraw/zinc/25/35/47/335253547.db2.gz	KQGXRXXDVVAPFX-VHSXEESVSA-N	-1	0	279.358	0.750	20	30		CCEDRM
C=C[C@H](CO)NC(=O)c1ccc([N+](=O)[O-])cc1[O-]	ZINC000436930408	517344777	/nfs/dbraw/zinc/34/47/77/517344777.db2.gz	HODYYOVJWNKXMO-SSDOTTSWSA-N	-1	0	252.226	0.577	20	30		CCEDRM
CC(C)n1cc(C#N)c([N-]S(=O)(=O)c2cn[nH]c2)n1	ZINC000164015932	519934966	/nfs/dbraw/zinc/93/49/66/519934966.db2.gz	DLACRRUYNFUJOB-UHFFFAOYSA-N	-1	0	280.313	0.860	20	30		CCEDRM
COCCn1ccc([N-]S(=O)(=O)c2ccc(C#N)o2)n1	ZINC000340810914	522133081	/nfs/dbraw/zinc/13/30/81/522133081.db2.gz	FTTRRWRKORJRKS-UHFFFAOYSA-N	-1	0	296.308	0.795	20	30		CCEDRM
N#Cc1ccc(C(=O)NCCc2n[n-]c(=N)o2)s1	ZINC000355111429	526597152	/nfs/dbraw/zinc/59/71/52/526597152.db2.gz	OLZCRSUMXZUODL-UHFFFAOYSA-N	-1	0	263.282	0.388	20	30		CCEDRM
C=CCOC[C@H](NC(=O)[C@H]1CC[C@@H](CC)O1)C(=O)[O-]	ZINC000668289643	545171377	/nfs/dbraw/zinc/17/13/77/545171377.db2.gz	BZNJIHZTOAPCKO-OUAUKWLOSA-N	-1	0	271.313	0.716	20	30		CCEDRM
CNC(=O)c1ccc(C(=O)N=c2[nH][n-]c(C)c2C#N)cn1	ZINC000357248378	536412941	/nfs/dbraw/zinc/41/29/41/536412941.db2.gz	VVYJFBZHMQVCHR-UHFFFAOYSA-N	-1	0	284.279	0.019	20	30		CCEDRM
N#CCN(CC(=O)[O-])C(=O)C1C[C@H]2CCC[C@@H](C1)C2=O	ZINC000739076610	581171245	/nfs/dbraw/zinc/17/12/45/581171245.db2.gz	ASHXNPJNQAZOMQ-ZACCUICWSA-N	-1	0	278.308	0.819	20	30		CCEDRM
O=C([O-])c1cc(C=NN[C@H]2CCOC2)ccc1O	ZINC000788457682	581112313	/nfs/dbraw/zinc/11/23/13/581112313.db2.gz	VBPCTNHMBTVQPL-VIFPVBQESA-N	-1	0	250.254	0.803	20	30		CCEDRM
Cc1onc(CC(=O)[N-]OC[C@@H]2CCOC2)c1C#N	ZINC000788568947	581116431	/nfs/dbraw/zinc/11/64/31/581116431.db2.gz	GBCVBZDNYSMALF-SECBINFHSA-N	-1	0	265.269	0.482	20	30		CCEDRM
N#Cc1ccc(NCC(=O)[N-]OC[C@@H]2CCOC2)nc1	ZINC000788569716	581116597	/nfs/dbraw/zinc/11/65/97/581116597.db2.gz	JVNLKLGKEBECBE-LLVKDONJSA-N	-1	0	276.296	0.449	20	30		CCEDRM
CCN(C[C@H](C)C#N)C(=O)CN1CC[C@@H](NC(=O)[O-])C1	ZINC000739404856	581132065	/nfs/dbraw/zinc/13/20/65/581132065.db2.gz	SAVGPSNILGYQSH-GHMZBOCLSA-N	-1	0	282.344	0.336	20	30		CCEDRM
COC[C@H](/N=C\c1cc([N+](=O)[O-])ccc1[O-])C(=O)OC	ZINC000777870623	581137953	/nfs/dbraw/zinc/13/79/53/581137953.db2.gz	VEQKYOZXDLNELQ-MBGMWABPSA-N	-1	0	282.252	0.907	20	30		CCEDRM
C#CCCS(=O)(=O)[N-]C(=O)c1cn2ccccc2n1	ZINC000791110273	581207784	/nfs/dbraw/zinc/20/77/84/581207784.db2.gz	APGORHNIRVPSKW-UHFFFAOYSA-N	-1	0	277.305	0.417	20	30		CCEDRM
C#CCCS(=O)(=O)[N-]C(=O)c1cnn(C(C)(C)C)c1	ZINC000791110530	581207801	/nfs/dbraw/zinc/20/78/01/581207801.db2.gz	DVXXFGMMGFOQEW-UHFFFAOYSA-N	-1	0	283.353	0.721	20	30		CCEDRM
C[C@H](NC(=O)Cc1ccc(OCC#N)cc1)C(=O)[O-]	ZINC000737683572	581223553	/nfs/dbraw/zinc/22/35/53/581223553.db2.gz	HIMNNZFUPZHPAT-VIFPVBQESA-N	-1	0	262.265	0.721	20	30		CCEDRM
Cn1ccnc1C([O-])=C(C#N)C(=O)[C@@H]1[C@@H]2CCCO[C@H]12	ZINC000780445771	581228595	/nfs/dbraw/zinc/22/85/95/581228595.db2.gz	QXYURYIDFGJWNZ-WJZNIJOASA-N	-1	0	273.292	0.737	20	30		CCEDRM
N#CCCCS(=O)(=O)[N-]C(=O)[C@@H]1[C@@H]2CCCO[C@H]12	ZINC000780473991	581229465	/nfs/dbraw/zinc/22/94/65/581229465.db2.gz	PBHLZYRWLYPZMF-AEJSXWLSSA-N	-1	0	272.326	0.161	20	30		CCEDRM
CCn1nc(C)cc1C([O-])=C(C#N)C(=O)NCCCOC	ZINC000726319481	581236749	/nfs/dbraw/zinc/23/67/49/581236749.db2.gz	CRMLZTKPPSTUAN-NSHDSACASA-N	-1	0	292.339	0.687	20	30		CCEDRM
Cc1cc([C@H](C#N)C(=O)[C@H]2C[C@@H]2C(=O)[O-])nc(C)n1	ZINC000738350815	581268080	/nfs/dbraw/zinc/26/80/80/581268080.db2.gz	BWXMDNKYFFJTQM-GUBZILKMSA-N	-1	0	259.265	0.990	20	30		CCEDRM
C=CCCOCC(=O)[N-]S(=O)(=O)C[C@@H]1CCCO1	ZINC000781512118	581270600	/nfs/dbraw/zinc/27/06/00/581270600.db2.gz	HJAOSDXMFLVVBO-JTQLQIEISA-N	-1	0	277.342	0.204	20	30		CCEDRM
CCn1cc(CC(=O)C(C#N)=C([O-])c2nccn2C)cn1	ZINC000781515470	581271287	/nfs/dbraw/zinc/27/12/87/581271287.db2.gz	BMIDUBWRDBKZDF-NSHDSACASA-N	-1	0	285.307	0.771	20	30		CCEDRM
COCCN(CC(=O)[O-])C(=O)COc1cccc(C#N)c1	ZINC000737770237	581276703	/nfs/dbraw/zinc/27/67/03/581276703.db2.gz	TYKTZACUJNJSHE-UHFFFAOYSA-N	-1	0	292.291	0.497	20	30		CCEDRM
CC[C@H](NN=Cc1ccc(C(=O)NC)cc1)C(=O)[O-]	ZINC000793055665	581282179	/nfs/dbraw/zinc/28/21/79/581282179.db2.gz	NWOHRSMLUOTZOK-NSHDSACASA-N	-1	0	263.297	0.833	20	30		CCEDRM
CC[C@@H](NN=Cc1cnc([C@H](C)O)s1)C(=O)[O-]	ZINC000793079797	581283700	/nfs/dbraw/zinc/28/37/00/581283700.db2.gz	UBHFOKCLOZPLBG-POYBYMJQSA-N	-1	0	257.315	0.983	20	30		CCEDRM
CC1(CNN=Cc2cn(CC(=O)[O-])nn2)CCCC1	ZINC000793081483	581283763	/nfs/dbraw/zinc/28/37/63/581283763.db2.gz	LJJJPAVNYZSMSP-UHFFFAOYSA-N	-1	0	265.317	0.867	20	30		CCEDRM
C[C@@H](NN=Cc1cn(CC(=O)[O-])nn1)C(C)(C)C	ZINC000793111488	581284700	/nfs/dbraw/zinc/28/47/00/581284700.db2.gz	IEINZFVUCLAIBC-MRVPVSSYSA-N	-1	0	253.306	0.721	20	30		CCEDRM
N#Cc1ccc(C(=O)[N-]S(=O)(=O)CC2(C#N)CC2)cc1	ZINC000793197371	581288004	/nfs/dbraw/zinc/28/80/04/581288004.db2.gz	OZDYMONNEBAVQM-UHFFFAOYSA-N	-1	0	289.316	0.922	20	30		CCEDRM
C=C[C@](C)(CCOC)C(=O)[N-]S(=O)(=O)[C@H]1CCOC1	ZINC000783100203	581336368	/nfs/dbraw/zinc/33/63/68/581336368.db2.gz	USJUPBZGWSYMIH-CMPLNLGQSA-N	-1	0	291.369	0.450	20	30		CCEDRM
N#Cc1cnc(C(=O)[N-]N2CCCNC2=O)c(Cl)c1	ZINC000783605003	581352360	/nfs/dbraw/zinc/35/23/60/581352360.db2.gz	SYGAQYJSTSICSQ-UHFFFAOYSA-N	-1	0	279.687	0.667	20	30		CCEDRM
C=CC[C@@H](C)NC(=O)NCCCN1CCN(C(=O)[O-])CC1	ZINC000738487996	581357712	/nfs/dbraw/zinc/35/77/12/581357712.db2.gz	FEERCGXZJAARGP-GFCCVEGCSA-N	-1	0	298.387	0.936	20	30		CCEDRM
C=CCCO[C@H](C)C(=O)N[C@@H]1CCN(C(=O)[O-])C1	ZINC000738493813	581361396	/nfs/dbraw/zinc/36/13/96/581361396.db2.gz	RXYYMSVLPIEETN-NXEZZACHSA-N	-1	0	256.302	0.836	20	30		CCEDRM
Cc1nn(-c2cc[nH+]cc2)cc1C=NN1CC(=O)NC1=O	ZINC000783817154	581364848	/nfs/dbraw/zinc/36/48/48/581364848.db2.gz	WUIPRJOPEQNKLV-UHFFFAOYSA-N	-1	0	284.279	0.461	20	30		CCEDRM
CNC(=O)C(C#N)=C([O-])c1cc2c(s1)CCOC2	ZINC000728765073	581369816	/nfs/dbraw/zinc/36/98/16/581369816.db2.gz	HBJBCYYHFXPLLC-MRVPVSSYSA-N	-1	0	264.306	0.889	20	30		CCEDRM
CNC(=O)C(C#N)=C([O-])c1cccc(C(=O)NC2CC2)c1	ZINC000784492478	581386085	/nfs/dbraw/zinc/38/60/85/581386085.db2.gz	MVBNILLKJODURR-LBPRGKRZSA-N	-1	0	285.303	0.647	20	30		CCEDRM
Cn1cc(C#N)c([N-]S(=O)(=O)C[C@H]2CCCOC2)n1	ZINC000795333064	581404338	/nfs/dbraw/zinc/40/43/38/581404338.db2.gz	XXOWQDHIHVJPIA-VIFPVBQESA-N	-1	0	284.341	0.460	20	30		CCEDRM
Cc1csc(C(C#N)=C([O-])COC(=O)C2COC2)n1	ZINC000785774643	581419446	/nfs/dbraw/zinc/41/94/46/581419446.db2.gz	FUVZZFWLTOPOJQ-VIFPVBQESA-N	-1	0	280.305	0.817	20	30		CCEDRM
CC(C)(C#N)CC(=O)[N-]S(=O)(=O)N1CCCC1	ZINC000786339227	581438221	/nfs/dbraw/zinc/43/82/21/581438221.db2.gz	DCALOUKLRQDJRH-UHFFFAOYSA-N	-1	0	259.331	0.383	20	30		CCEDRM
COCCCNC(=O)C(C#N)=C([O-])c1cn(C(C)C)nn1	ZINC000796739965	581449386	/nfs/dbraw/zinc/44/93/86/581449386.db2.gz	HFWPRRWYMHMGHH-SNVBAGLBSA-N	-1	0	293.327	0.334	20	30		CCEDRM
CO[C@H](C(=O)[N-]S(=O)(=O)CC1(C#N)CCC1)C1CC1	ZINC000796852313	581452360	/nfs/dbraw/zinc/45/23/60/581452360.db2.gz	VDQDKTGVDJGLSP-JTQLQIEISA-N	-1	0	286.353	0.551	20	30		CCEDRM
C=C(C)C[C@H](C)C(=O)[N-]S(=O)(=O)c1cc[nH]n1	ZINC000796872264	581452819	/nfs/dbraw/zinc/45/28/19/581452819.db2.gz	GPOCQMXKSGFOEG-QMMMGPOBSA-N	-1	0	257.315	0.817	20	30		CCEDRM
CC#CCCCC(=O)[N-]S(=O)(=O)[C@H](C)C(=O)OC	ZINC000797300223	581464384	/nfs/dbraw/zinc/46/43/84/581464384.db2.gz	MBPJSXYADJTKMP-SECBINFHSA-N	-1	0	275.326	0.188	20	30		CCEDRM
COC(=O)[C@@H](C)S(=O)(=O)[N-]C(=O)c1cccc(C#N)c1	ZINC000797307921	581464631	/nfs/dbraw/zinc/46/46/31/581464631.db2.gz	XDZARPZRQDGOQN-MRVPVSSYSA-N	-1	0	296.304	0.179	20	30		CCEDRM
Cc1cc(C#N)ccc1S(=O)(=O)[N-]c1cnnn1C	ZINC000788206852	581485501	/nfs/dbraw/zinc/48/55/01/581485501.db2.gz	ZURLENWHYOMGLB-UHFFFAOYSA-N	-1	0	277.309	0.796	20	30		CCEDRM
N#Cc1ccc(NC(=O)COC(=O)[C@@H]2C[C@@H]2C(=O)[O-])cc1	ZINC000739123061	581507926	/nfs/dbraw/zinc/50/79/26/581507926.db2.gz	MNWSAGZSIXHGHV-WDEREUQCSA-N	-1	0	288.259	0.761	20	30		CCEDRM
N#Cc1cccc(NC(=O)COC(=O)CCNC(=O)[O-])c1	ZINC000739133457	581509678	/nfs/dbraw/zinc/50/96/78/581509678.db2.gz	IGQVUNLNCUXGIH-UHFFFAOYSA-N	-1	0	291.263	0.698	20	30		CCEDRM
N#Cc1ccccc1C=CC(=O)Nc1n[nH]c(CC(=O)[O-])n1	ZINC000739139062	581511112	/nfs/dbraw/zinc/51/11/12/581511112.db2.gz	CQSZWSQPQDSIHM-AATRIKPKSA-N	-1	0	297.274	0.955	20	30		CCEDRM
C[C@@H]1OC(C)(C)N(C(=O)[O-])[C@@H]1C(=O)N(C)CC#N	ZINC000739198653	581522084	/nfs/dbraw/zinc/52/20/84/581522084.db2.gz	POXYCBNMZGGGTL-YUMQZZPRSA-N	-1	0	255.274	0.472	20	30		CCEDRM
O=C([O-])c1ccc2c(C=Nn3cnnc3)[nH]nc2c1	ZINC000765544822	581525028	/nfs/dbraw/zinc/52/50/28/581525028.db2.gz	WWLKXSFYCCUYKM-UHFFFAOYSA-N	-1	0	256.225	0.735	20	30		CCEDRM
Cn1ncc2c1nc(N=NCC[C@@H]1CCOC1)[n-]c2=O	ZINC000765579697	581526371	/nfs/dbraw/zinc/52/63/71/581526371.db2.gz	ZIALTXKMYNXZPV-MRVPVSSYSA-N	-1	0	276.300	0.893	20	30		CCEDRM
C=CCCO[C@H](C)C(=O)[N-]S(=O)(=O)c1ccnn1C	ZINC000765651636	581531525	/nfs/dbraw/zinc/53/15/25/581531525.db2.gz	IRQNUFAVNZIAHV-SECBINFHSA-N	-1	0	287.341	0.206	20	30		CCEDRM
CCC[C@H](NC(=O)[O-])C(=O)N1CCO[C@H](C#N)C1	ZINC000739314496	581535145	/nfs/dbraw/zinc/53/51/45/581535145.db2.gz	UMCKTJGGLGLWFV-BDAKNGLRSA-N	-1	0	255.274	0.174	20	30		CCEDRM
COc1ncc(C(=O)Nc2nc(C#N)c(C#N)[n-]2)cn1	ZINC000734015738	581540952	/nfs/dbraw/zinc/54/09/52/581540952.db2.gz	PJJIZXLVYVPKES-UHFFFAOYSA-N	-1	0	269.224	0.204	20	30		CCEDRM
CCN(CCC#N)C(=O)COC(=O)[C@@H]1CCN(C(=O)[O-])C1	ZINC000739415315	581549544	/nfs/dbraw/zinc/54/95/44/581549544.db2.gz	PAAIMNCEFOATJS-SNVBAGLBSA-N	-1	0	297.311	0.292	20	30		CCEDRM
Cc1c(C(=O)[N-]S(=O)(=O)CC2(C#N)CC2)cnn1C	ZINC000753945460	581565339	/nfs/dbraw/zinc/56/53/39/581565339.db2.gz	QLYSVPVXWYVCBB-UHFFFAOYSA-N	-1	0	282.325	0.092	20	30		CCEDRM
COC1(C(=O)[N-]S(=O)(=O)CC(C)(C)C#N)CCCC1	ZINC000753998894	581569740	/nfs/dbraw/zinc/56/97/40/581569740.db2.gz	DZRUGQSCCLESHM-UHFFFAOYSA-N	-1	0	288.369	0.941	20	30		CCEDRM
CN(CC(=O)[C@@H](C#N)C(=O)NC1CCCC1)C(=O)[O-]	ZINC000739617099	581581447	/nfs/dbraw/zinc/58/14/47/581581447.db2.gz	MGLBZMXXMVQDDK-SECBINFHSA-N	-1	0	267.285	0.364	20	30		CCEDRM
N#CC(C(=O)NC1CC1)=C([O-])c1ccc(C#N)nc1	ZINC000734706677	581582748	/nfs/dbraw/zinc/58/27/48/581582748.db2.gz	RBJICNUNPPDNKZ-LLVKDONJSA-N	-1	0	254.249	0.554	20	30		CCEDRM
N#CCSCC(=O)[N-]S(=O)(=O)c1ccccn1	ZINC000734969151	581599689	/nfs/dbraw/zinc/59/96/89/581599689.db2.gz	ZOMFCUNCOMDDBR-UHFFFAOYSA-N	-1	0	271.323	0.143	20	30		CCEDRM
COC1(C(=O)NCCCCC#N)CCN(C(=O)[O-])CC1	ZINC000739797613	581617966	/nfs/dbraw/zinc/61/79/66/581617966.db2.gz	OWAVLAZECRCRFH-UHFFFAOYSA-N	-1	0	283.328	0.955	20	30		CCEDRM
COC1(C(=O)N(C)CC#N)CCN(C(=O)[O-])CC1	ZINC000739798895	581618373	/nfs/dbraw/zinc/61/83/73/581618373.db2.gz	PYHFNFXOVRKXHV-UHFFFAOYSA-N	-1	0	255.274	0.127	20	30		CCEDRM
C=CCOCC(=O)[N-]S(=O)(=O)c1cccc(C(C)=O)c1	ZINC000729886778	581618763	/nfs/dbraw/zinc/61/87/63/581618763.db2.gz	MTKYJMVQQFAODM-UHFFFAOYSA-N	-1	0	297.332	0.897	20	30		CCEDRM
C=CCOCC(=O)[N-]S(=O)(=O)c1ncn(C)c1Cl	ZINC000729894804	581618994	/nfs/dbraw/zinc/61/89/94/581618994.db2.gz	UGPKOKDKMPUTAM-UHFFFAOYSA-N	-1	0	293.732	0.081	20	30		CCEDRM
COCCN(CC(=O)NCC#Cc1ccccc1)C(=O)[O-]	ZINC000739817199	581623526	/nfs/dbraw/zinc/62/35/26/581623526.db2.gz	CPUHXXMCXILFKJ-UHFFFAOYSA-N	-1	0	290.319	0.781	20	30		CCEDRM
N#Cc1nc(NC(=O)CCCn2ccccc2=O)[n-]c1C#N	ZINC000735114420	581624330	/nfs/dbraw/zinc/62/43/30/581624330.db2.gz	IXENZBLPTGLJQU-UHFFFAOYSA-N	-1	0	296.290	0.734	20	30		CCEDRM
COCCNC(=O)C(C#N)=C([O-])c1cnn2ccccc12	ZINC000735208671	581632032	/nfs/dbraw/zinc/63/20/32/581632032.db2.gz	NJLJVEBPXQVMGC-SNVBAGLBSA-N	-1	0	286.291	0.419	20	30		CCEDRM
N#Cc1ccc([O-])c(NC(=O)C2(NC(N)=O)CC2)c1	ZINC000767878686	581634944	/nfs/dbraw/zinc/63/49/44/581634944.db2.gz	WBDDPXMXOWNXKC-UHFFFAOYSA-N	-1	0	260.253	0.403	20	30		CCEDRM
N#C[C@@H](C(=O)CSCC(=O)[O-])C(=O)N1CCCC1	ZINC000740304177	581662256	/nfs/dbraw/zinc/66/22/56/581662256.db2.gz	RILUJNQGNUAVDQ-QMMMGPOBSA-N	-1	0	270.310	0.135	20	30		CCEDRM
N#CCN(CC#N)C(=O)[C@@H]1CCC[C@@H](NC(=O)[O-])C1	ZINC000740305577	581662551	/nfs/dbraw/zinc/66/25/51/581662551.db2.gz	PCPDYRSHDAHAFT-NXEZZACHSA-N	-1	0	264.285	0.689	20	30		CCEDRM
N#CCOC(=O)C1=NN(c2ccccc2)[C@H](C(=O)[O-])C1	ZINC000740305931	581662874	/nfs/dbraw/zinc/66/28/74/581662874.db2.gz	XPUBCHOIYTWUEU-NSHDSACASA-N	-1	0	273.248	0.773	20	30		CCEDRM
N#CCCCS(=O)(=O)N[C@H](CNC(=O)[O-])C1CC1	ZINC000740306130	581662959	/nfs/dbraw/zinc/66/29/59/581662959.db2.gz	CRSIHHPPDXJKKR-SECBINFHSA-N	-1	0	275.330	0.256	20	30		CCEDRM
N#CCCCCS(=O)(=O)N[C@@H](CNC(=O)[O-])C1CC1	ZINC000740306145	581663061	/nfs/dbraw/zinc/66/30/61/581663061.db2.gz	DDHAZVMZWGLKFA-JTQLQIEISA-N	-1	0	289.357	0.646	20	30		CCEDRM
N#C[C@H]1CN(C(=O)C2CCC(NC(=O)[O-])CC2)CCO1	ZINC000740308704	581663331	/nfs/dbraw/zinc/66/33/31/581663331.db2.gz	AVVJJRUBMAPBSV-ILDUYXDCSA-N	-1	0	281.312	0.564	20	30		CCEDRM
N#C[C@@H]1COCCN1C(=O)C1CCN(C(=O)[O-])CC1	ZINC000740307172	581663514	/nfs/dbraw/zinc/66/35/14/581663514.db2.gz	PNHJTMWDYWZEBL-SNVBAGLBSA-N	-1	0	267.285	0.127	20	30		CCEDRM
N#CCSCC(=O)NC1(CNC(=O)[O-])CCCC1	ZINC000740309790	581663806	/nfs/dbraw/zinc/66/38/06/581663806.db2.gz	BOUNLBODOLRVAE-UHFFFAOYSA-N	-1	0	271.342	0.940	20	30		CCEDRM
N#CC1(C(=O)NCC[C@H]2CCN(C(=O)[O-])C2)CCOCC1	ZINC000740309853	581663927	/nfs/dbraw/zinc/66/39/27/581663927.db2.gz	NUTBKKFIOAYXEZ-NSHDSACASA-N	-1	0	295.339	0.813	20	30		CCEDRM
N#CC1CCN(C(=O)[C@H]2CCN(C(=O)[O-])C2)CC1	ZINC000740311090	581664023	/nfs/dbraw/zinc/66/40/23/581664023.db2.gz	YAPVGULMVFQMFL-JTQLQIEISA-N	-1	0	251.286	0.748	20	30		CCEDRM
N#Cc1ccc(C(=O)N2CC[C@H](NC(=O)[O-])C2)nc1	ZINC000740313960	581664409	/nfs/dbraw/zinc/66/44/09/581664409.db2.gz	RRJLYUXFENRWSC-VIFPVBQESA-N	-1	0	260.253	0.435	20	30		CCEDRM
N#Cc1ccc(C(=O)N2CC[C@@H](CNC(=O)[O-])C2)nc1	ZINC000740313602	581664469	/nfs/dbraw/zinc/66/44/69/581664469.db2.gz	OQCKQGBLHHODSP-JTQLQIEISA-N	-1	0	274.280	0.683	20	30		CCEDRM
N#Cc1ccc(C(=O)NC[C@H]2CCCN2C(=O)[O-])nc1	ZINC000740314321	581664634	/nfs/dbraw/zinc/66/46/34/581664634.db2.gz	UUKZZYWIWVBDDP-SNVBAGLBSA-N	-1	0	274.280	0.825	20	30		CCEDRM
N#Cc1ccc(NCC(=O)NC2CN(C(=O)[O-])C2)cc1	ZINC000740318375	581665074	/nfs/dbraw/zinc/66/50/74/581665074.db2.gz	YMBRKIJOZSMNLD-UHFFFAOYSA-N	-1	0	274.280	0.449	20	30		CCEDRM
N#Cc1ccc(S(=O)(=O)N[C@H]2CCN(C(=O)[O-])C2)cc1	ZINC000740321299	581665158	/nfs/dbraw/zinc/66/51/58/581665158.db2.gz	FTVRAERZVHZIFZ-JTQLQIEISA-N	-1	0	295.320	0.589	20	30		CCEDRM
CCOCCOCC(=O)C(C#N)=C([O-])c1nccn1C	ZINC000770870764	581679819	/nfs/dbraw/zinc/67/98/19/581679819.db2.gz	FGHQHJYLBCKIKS-JTQLQIEISA-N	-1	0	279.296	0.365	20	30		CCEDRM
C[C@@H](C#N)NC(=O)CN(C[C@H]1CCCO1)C(=O)[O-]	ZINC000738605371	581686310	/nfs/dbraw/zinc/68/63/10/581686310.db2.gz	UXEKBRKQFJIKDC-DTWKUNHWSA-N	-1	0	255.274	0.174	20	30		CCEDRM
C=CCOCC(=O)Nc1nnc(CCC(=O)[O-])s1	ZINC000736109420	581696054	/nfs/dbraw/zinc/69/60/54/581696054.db2.gz	LUGZLJRYSQCHIP-UHFFFAOYSA-N	-1	0	271.298	0.696	20	30		CCEDRM
C#CCOc1ccccc1CNC(=O)CNC(=O)[O-]	ZINC000736087919	581700501	/nfs/dbraw/zinc/70/05/01/581700501.db2.gz	MJHLNPPKYPUPRI-UHFFFAOYSA-N	-1	0	262.265	0.582	20	30		CCEDRM
CC(=O)NCc1ccc(C(=O)N(CC#N)CC(=O)[O-])s1	ZINC000736152258	581710836	/nfs/dbraw/zinc/71/08/36/581710836.db2.gz	KDAXDMDZJCPDPO-UHFFFAOYSA-N	-1	0	295.320	0.435	20	30		CCEDRM
CC[C@@]1(C)NC(=O)N([N-]C(=O)c2ccc(C#N)s2)C1=O	ZINC000769852421	581711349	/nfs/dbraw/zinc/71/13/49/581711349.db2.gz	IOFBESIUKWRCFM-GFCCVEGCSA-N	-1	0	292.320	0.985	20	30		CCEDRM
C=CCCO[C@H](C)C(=O)[N-]S(=O)(=O)C[C@H]1CCOC1	ZINC000762138933	581724511	/nfs/dbraw/zinc/72/45/11/581724511.db2.gz	MGGIRLSLPYNFQJ-MNOVXSKESA-N	-1	0	291.369	0.450	20	30		CCEDRM
CC(C)(C)OC(=O)NCCCC(=O)N(CC#N)CC(=O)[O-]	ZINC000736284112	581731136	/nfs/dbraw/zinc/73/11/36/581731136.db2.gz	WDOKQDQRGJICAV-UHFFFAOYSA-N	-1	0	299.327	0.728	20	30		CCEDRM
C[C@H](Oc1cccc(C=NN2CN=NC2=O)c1)C(=O)[O-]	ZINC000770615146	581756191	/nfs/dbraw/zinc/75/61/91/581756191.db2.gz	HHWCCADHVFANQL-QMMMGPOBSA-N	-1	0	276.252	0.718	20	30		CCEDRM
O=C([O-])Cn1cc(/C=C/C(=O)c2cnccn2)nn1	ZINC000759084199	581782682	/nfs/dbraw/zinc/78/26/82/581782682.db2.gz	OFDKEVUHEVQNDQ-OWOJBTEDSA-N	-1	0	259.225	0.049	20	30		CCEDRM
C=CCNC(=O)COC(=O)C(C)(C)[N-]C(=O)C(F)(F)F	ZINC000759121682	581784017	/nfs/dbraw/zinc/78/40/17/581784017.db2.gz	FIFZRTQMUZHBNL-UHFFFAOYSA-N	-1	0	296.245	0.289	20	30		CCEDRM
CC(=NOCC(N)=O)c1ccc(CC(=O)[O-])cc1	ZINC000771574067	581809337	/nfs/dbraw/zinc/80/93/37/581809337.db2.gz	FVUQRSCNBJGDDY-UHFFFAOYSA-N	-1	0	250.254	0.540	20	30		CCEDRM
C[C@@H](C#N)C(=O)N[C@@H](c1nnn[n-]1)c1ccccc1	ZINC000736673558	581816080	/nfs/dbraw/zinc/81/60/80/581816080.db2.gz	QTONJNJZAHLPLS-WCBMZHEXSA-N	-1	0	256.269	0.565	20	30		CCEDRM
C=CCNC(=O)C(C#N)=C([O-])c1cncc(C(=O)OC)c1	ZINC000760183774	581848081	/nfs/dbraw/zinc/84/80/81/581848081.db2.gz	PYQFWFKGOIUTKF-LLVKDONJSA-N	-1	0	287.275	0.493	20	30		CCEDRM
CC[C@H](C)[C@@H](NC(=O)COC(=O)C1(C#N)CCC1)C(=O)[O-]	ZINC000736883531	581863475	/nfs/dbraw/zinc/86/34/75/581863475.db2.gz	JEHHTHYLRLBILU-GXSJLCMTSA-N	-1	0	296.323	0.839	20	30		CCEDRM
C=CCS(=O)(=O)[N-]C(=O)c1ccc2c(c1)COC2	ZINC000772712984	581885361	/nfs/dbraw/zinc/88/53/61/581885361.db2.gz	JELNZEOFHUNHKO-UHFFFAOYSA-N	-1	0	267.306	0.962	20	30		CCEDRM
C=CCS(=O)(=O)[N-]C(=O)COc1cccc(OC)c1	ZINC000772721489	581886731	/nfs/dbraw/zinc/88/67/31/581886731.db2.gz	RLGDCHJDKZWVPM-UHFFFAOYSA-N	-1	0	285.321	0.706	20	30		CCEDRM
CCCNC(=O)CCCC(=O)N(CC#N)CC(=O)[O-]	ZINC000737024258	581888218	/nfs/dbraw/zinc/88/82/18/581888218.db2.gz	DLJGQJPIICNZIZ-UHFFFAOYSA-N	-1	0	269.301	0.120	20	30		CCEDRM
C=CCS(=O)(=O)[N-]C(=O)Cc1ccccc1CC#N	ZINC000761127780	581890242	/nfs/dbraw/zinc/89/02/42/581890242.db2.gz	VEEQYACVBZXQAK-UHFFFAOYSA-N	-1	0	278.333	0.927	20	30		CCEDRM
CCN(C[C@H](C)C#N)C(=O)CN1CCC[C@@H]1C(=O)[O-]	ZINC000737078728	581897957	/nfs/dbraw/zinc/89/79/57/581897957.db2.gz	RHQIVDSTYMYTBW-GHMZBOCLSA-N	-1	0	267.329	0.544	20	30		CCEDRM
CCN(CC#N)S(=O)(=O)c1c[nH]c(C(=O)[O-])c1	ZINC000761264879	581900713	/nfs/dbraw/zinc/90/07/13/581900713.db2.gz	FTXWTVCUMFGIAU-UHFFFAOYSA-N	-1	0	257.271	0.247	20	30		CCEDRM
CCN(CCC#N)C(=O)CN(C)C(C)(C)C(=O)[O-]	ZINC000737094744	581902940	/nfs/dbraw/zinc/90/29/40/581902940.db2.gz	UFJHYHOOYGMIJI-UHFFFAOYSA-N	-1	0	255.318	0.544	20	30		CCEDRM
CC(=NN1CCN(C)CC1)c1ccc(C(=O)[O-])o1	ZINC000772989529	581904177	/nfs/dbraw/zinc/90/41/77/581904177.db2.gz	FUQKUYOMBUYQND-UHFFFAOYSA-N	-1	0	251.286	0.949	20	30		CCEDRM
CCc1[nH]c(C(=O)N2CCO[C@H](C#N)C2)c(C)c1C(=O)[O-]	ZINC000737243184	581926006	/nfs/dbraw/zinc/92/60/06/581926006.db2.gz	WOHQYYIWYVSKKR-SECBINFHSA-N	-1	0	291.307	0.948	20	30		CCEDRM
N#Cc1ccc([O-])c(NC(=O)C2(O)CCOCC2)c1	ZINC000773502016	581930112	/nfs/dbraw/zinc/93/01/12/581930112.db2.gz	TUDLZFWDYIURTG-UHFFFAOYSA-N	-1	0	262.265	0.744	20	30		CCEDRM
COC(=O)N[C@@H](C)C(=O)C(C#N)=C([O-])c1nccn1C	ZINC000762082835	581930725	/nfs/dbraw/zinc/93/07/25/581930725.db2.gz	VEFXOTNUKMWYSI-JGVFFNPUSA-N	-1	0	278.268	0.056	20	30		CCEDRM
CN(CC(=O)NCC#N)[C@@H](C(=O)[O-])c1ccccc1	ZINC000737393722	581951918	/nfs/dbraw/zinc/95/19/18/581951918.db2.gz	OGBGNLNDAKKPLS-GFCCVEGCSA-N	-1	0	261.281	0.384	20	30		CCEDRM
CN(CC(=O)O[C@@H](C(N)=O)c1ccc(C#N)cc1)C(=O)[O-]	ZINC000737404257	581953897	/nfs/dbraw/zinc/95/38/97/581953897.db2.gz	YBSUIHKQCQJJKG-LLVKDONJSA-N	-1	0	291.263	0.238	20	30		CCEDRM
COCCNC(=O)C(C#N)=C([O-])c1nc(C)c(C)s1	ZINC000774043253	581954745	/nfs/dbraw/zinc/95/47/45/581954745.db2.gz	OBGUBONNMBIONF-VIFPVBQESA-N	-1	0	281.337	0.845	20	30		CCEDRM
CNC(=O)C(C#N)=C([O-])c1ccc(NC(C)=O)c(F)c1	ZINC000774055919	581955711	/nfs/dbraw/zinc/95/57/11/581955711.db2.gz	RDKNHZGPHGZQDT-SECBINFHSA-N	-1	0	277.255	0.853	20	30		CCEDRM
N#Cc1ccc([O-])c(NC(=O)[C@@H]2CCS(=O)(=O)C2)c1	ZINC000747998771	581959233	/nfs/dbraw/zinc/95/92/33/581959233.db2.gz	GYXSVGBNHJSBBF-SECBINFHSA-N	-1	0	280.305	0.637	20	30		CCEDRM
C#CCNC(=O)[C@H](C)N1CCC(N(C)C(=O)[O-])CC1	ZINC000737492737	581965746	/nfs/dbraw/zinc/96/57/46/581965746.db2.gz	OYQHLWOMSKTXOJ-JTQLQIEISA-N	-1	0	267.329	0.199	20	30		CCEDRM
C=CCN(CC(=O)[O-])C(=O)COC[C@@H]1CCCO1	ZINC000737527547	581972900	/nfs/dbraw/zinc/97/29/00/581972900.db2.gz	XXVHQNCZBVRXDZ-JTQLQIEISA-N	-1	0	257.286	0.281	20	30		CCEDRM
C=CCN(CC(=O)[O-])C(=O)c1ccc(OC)nn1	ZINC000737527379	581973159	/nfs/dbraw/zinc/97/31/59/581973159.db2.gz	OULDOYFOXHAUOO-UHFFFAOYSA-N	-1	0	251.242	0.198	20	30		CCEDRM
N#Cc1ccc([O-])c(NC(=O)CCN2CCOCC2)c1	ZINC000748411527	581974180	/nfs/dbraw/zinc/97/41/80/581974180.db2.gz	QXWPBWBYMAUNBQ-UHFFFAOYSA-N	-1	0	275.308	0.925	20	30		CCEDRM
COc1ccc(C(=O)N(CC#N)CC(=O)[O-])cc1OC	ZINC000737921575	582007603	/nfs/dbraw/zinc/00/76/03/582007603.db2.gz	WOPGCGDCVLPLDG-UHFFFAOYSA-N	-1	0	278.264	0.754	20	30		CCEDRM
C=CCOCC(=O)[N-]S(=O)(=O)c1cccc(F)c1F	ZINC000774997619	582007818	/nfs/dbraw/zinc/00/78/18/582007818.db2.gz	GFYZNXCOZBVEJH-UHFFFAOYSA-N	-1	0	291.275	0.972	20	30		CCEDRM
COC(=O)c1cc(C#N)c(=O)n(CCCCC(=O)[O-])c1	ZINC000738045983	582018729	/nfs/dbraw/zinc/01/87/29/582018729.db2.gz	OFJJFAJUBVYPQM-UHFFFAOYSA-N	-1	0	278.264	0.761	20	30		CCEDRM
N#CC(C(=O)N1CCCC1)=C([O-])c1cc2n(n1)CCCO2	ZINC000763928473	582021256	/nfs/dbraw/zinc/02/12/56/582021256.db2.gz	DCNXDFVBGIMWOD-JTQLQIEISA-N	-1	0	288.307	0.610	20	30		CCEDRM
Cn1ccnc(N=NCc2ccc(C(=O)[O-])[nH]2)c1=O	ZINC000749815415	582023313	/nfs/dbraw/zinc/02/33/13/582023313.db2.gz	YKCLPEDLCUEPPO-UHFFFAOYSA-N	-1	0	261.241	0.253	20	30		CCEDRM
COc1ccc(C=NN[C@H](C)CO)c(OCC(=O)[O-])c1	ZINC000749815770	582023421	/nfs/dbraw/zinc/02/34/21/582023421.db2.gz	IZQSFEWSHYAOPG-SECBINFHSA-N	-1	0	282.296	0.463	20	30		CCEDRM
CC[C@]1(C)NC(=O)N(N=Cc2ccc(C(=O)[O-])[nH]2)C1=O	ZINC000749813288	582023492	/nfs/dbraw/zinc/02/34/92/582023492.db2.gz	XYLBDQANBITHCV-LBPRGKRZSA-N	-1	0	278.268	0.767	20	30		CCEDRM
N#C[C@H]1CN(C(=O)[O-])CCN1C(=O)CC[C@H]1CCCO1	ZINC000831081874	603590968	/nfs/dbraw/zinc/59/09/68/603590968.db2.gz	CCMPVACUNUJTSF-WDEREUQCSA-N	-1	0	281.312	0.660	20	30		CCEDRM
N#CCCCS(=O)(=O)[N-]C(=O)c1ccn(C(F)F)n1	ZINC000776119581	582052199	/nfs/dbraw/zinc/05/21/99/582052199.db2.gz	UNVIQOCLIRKIKR-UHFFFAOYSA-N	-1	0	292.267	0.642	20	30		CCEDRM
CCn1nc(C)cc1C(=O)[N-]S(=O)(=O)CCCC#N	ZINC000776119173	582052260	/nfs/dbraw/zinc/05/22/60/582052260.db2.gz	GRMOZESXAQECTO-UHFFFAOYSA-N	-1	0	284.341	0.575	20	30		CCEDRM
N#CCCCS(=O)(=O)[N-]C(=O)CCc1cccnc1	ZINC000776118294	582052355	/nfs/dbraw/zinc/05/23/55/582052355.db2.gz	CYWLSMCQWGFROT-UHFFFAOYSA-N	-1	0	281.337	0.764	20	30		CCEDRM
C#CCN(CC)C(=O)N[C@@H](CNC(=O)[O-])C1CC1	ZINC000738462290	582053223	/nfs/dbraw/zinc/05/32/23/582053223.db2.gz	YIWCRDILUTWTJQ-JTQLQIEISA-N	-1	0	253.302	0.697	20	30		CCEDRM
C#CCN1CCC[C@H]1C(=O)NC[C@@H]1CCCCN1C(=O)[O-]	ZINC000738459842	582053272	/nfs/dbraw/zinc/05/32/72/582053272.db2.gz	GFFPJVAYACNSQP-STQMWFEESA-N	-1	0	293.367	0.733	20	30		CCEDRM
COCCOCCC(=O)[N-]S(=O)(=O)CC(C)(C)C#N	ZINC000776142849	582054032	/nfs/dbraw/zinc/05/40/32/582054032.db2.gz	BBYLIVSWAWXBDP-UHFFFAOYSA-N	-1	0	292.357	0.035	20	30		CCEDRM
C=CCOCC(=O)NC[C@H]1[C@H](C)OC(C)(C)N1C(=O)[O-]	ZINC000738491951	582056113	/nfs/dbraw/zinc/05/61/13/582056113.db2.gz	QJCHEWKOADDNRJ-UWVGGRQHSA-N	-1	0	286.328	0.809	20	30		CCEDRM
O=C([O-])CCCS(=O)(=O)OCC(F)(F)F	ZINC000738586324	582063852	/nfs/dbraw/zinc/06/38/52/582063852.db2.gz	PGCYFMZSXHXQIP-UHFFFAOYSA-N	-1	0	250.194	0.760	20	30		CCEDRM
Cc1ccc(S(=O)(=O)N(CC#N)CC(=O)[O-])c(C)c1	ZINC000738653599	582068996	/nfs/dbraw/zinc/06/89/96/582068996.db2.gz	YNQQFZXMTQNKEP-UHFFFAOYSA-N	-1	0	282.321	0.902	20	30		CCEDRM
CC(C)(CCC(=O)n1ncc(C#N)c1N)NC(=O)[O-]	ZINC000738747699	582073097	/nfs/dbraw/zinc/07/30/97/582073097.db2.gz	RNQYEQAOBHLJSG-UHFFFAOYSA-N	-1	0	265.273	0.804	20	30		CCEDRM
C=CCC[C@H](NS(=O)(=O)[C@@H]1CCOC1)C(=O)[O-]	ZINC000776597247	582083648	/nfs/dbraw/zinc/08/36/48/582083648.db2.gz	NYESSZVBNBCXEC-BDAKNGLRSA-N	-1	0	263.315	0.114	20	30		CCEDRM
C[C@H](CCNS(=O)(=O)CCCC#N)NC(=O)[O-]	ZINC000738906251	582087719	/nfs/dbraw/zinc/08/77/19/582087719.db2.gz	OWVDKUSAAFKNCG-MRVPVSSYSA-N	-1	0	263.319	0.256	20	30		CCEDRM
N#C[C@H](C(=O)CCCNC(=O)[O-])C(=O)N1CCCC1	ZINC000739073502	582101134	/nfs/dbraw/zinc/10/11/34/582101134.db2.gz	CVMOZURHSQZOPF-SECBINFHSA-N	-1	0	267.285	0.365	20	30		CCEDRM
N#C[C@H](C(=O)CCNC(=O)[O-])C(=O)NCc1ccccc1	ZINC000739074456	582101243	/nfs/dbraw/zinc/10/12/43/582101243.db2.gz	JPFWYZBOKAQEIK-LLVKDONJSA-N	-1	0	289.291	0.669	20	30		CCEDRM
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N#CCN(CC(=O)[O-])C(=O)[C@H]1COc2ccccc2O1	ZINC000739077125	582101543	/nfs/dbraw/zinc/10/15/43/582101543.db2.gz	IJFOCORKUAGJNX-LLVKDONJSA-N	-1	0	276.248	0.263	20	30		CCEDRM
N#CCN(CC(=O)[O-])C(=O)c1cc(-c2ccco2)on1	ZINC000739078506	582101616	/nfs/dbraw/zinc/10/16/16/582101616.db2.gz	IDMMRPVMBHOUGG-UHFFFAOYSA-N	-1	0	275.220	0.985	20	30		CCEDRM
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N#CCc1cccc(C(=O)N(CC#N)CC(=O)[O-])c1	ZINC000739091758	582102134	/nfs/dbraw/zinc/10/21/34/582102134.db2.gz	MLEVDOOSTPCKKQ-UHFFFAOYSA-N	-1	0	257.249	0.803	20	30		CCEDRM
N#CCN(CC(=O)[O-])S(=O)(=O)c1ccccc1F	ZINC000739087101	582102151	/nfs/dbraw/zinc/10/21/51/582102151.db2.gz	VAHYOIDUXJYUFG-UHFFFAOYSA-N	-1	0	272.257	0.425	20	30		CCEDRM
N#CCN(CC(=O)[O-])S(=O)(=O)c1ccc(F)cc1F	ZINC000739087356	582102196	/nfs/dbraw/zinc/10/21/96/582102196.db2.gz	XZODZWUYTXYPNA-UHFFFAOYSA-N	-1	0	290.247	0.564	20	30		CCEDRM
N#Cc1ccc([C@@H](C(=O)[O-])N2CCS(=O)(=O)CC2)cc1	ZINC000739103865	582102576	/nfs/dbraw/zinc/10/25/76/582102576.db2.gz	CWEABPLZQFFRKJ-LBPRGKRZSA-N	-1	0	294.332	0.414	20	30		CCEDRM
N#Cc1ccc(C(=O)NCCSCCC(=O)[O-])cn1	ZINC000739102484	582102610	/nfs/dbraw/zinc/10/26/10/582102610.db2.gz	XVCRCIIHLKUIFN-UHFFFAOYSA-N	-1	0	279.321	0.891	20	30		CCEDRM
N#Cc1ccc([C@H](C(=O)[O-])N2CCO[C@@H](C#N)C2)cc1	ZINC000739103945	582102705	/nfs/dbraw/zinc/10/27/05/582102705.db2.gz	DVWCWVNMVVCTSG-QWHCGFSZSA-N	-1	0	271.276	0.908	20	30		CCEDRM
N#Cc1ccc([C@@H](OC(=O)[C@@H]2COCCO2)C(=O)[O-])cc1	ZINC000739109505	582103028	/nfs/dbraw/zinc/10/30/28/582103028.db2.gz	LPJRYEQXMSSAAN-NWDGAFQWSA-N	-1	0	291.259	0.643	20	30		CCEDRM
CN1C(=O)CN(N=Cc2ccc(C(=O)[O-])cc2)C1=O	ZINC000768381094	582106155	/nfs/dbraw/zinc/10/61/55/582106155.db2.gz	ZRSFGICFFWKTDV-UHFFFAOYSA-N	-1	0	261.237	0.613	20	30		CCEDRM
C#C[C@H](C)N(C)S(=O)(=O)c1ccc(OCC(=O)[O-])cc1	ZINC000906957648	613114403	/nfs/dbraw/zinc/11/44/03/613114403.db2.gz	RAINIHQAXPVVOB-JTQLQIEISA-N	-1	0	297.332	0.792	20	30		CCEDRM
C#CCCCNC(=O)N(C)CCN1CCN(C(=O)[O-])CC1	ZINC000823444010	612981182	/nfs/dbraw/zinc/98/11/82/612981182.db2.gz	AWDPTMUZOZXKLI-UHFFFAOYSA-N	-1	0	296.371	0.337	20	30		CCEDRM
CCCCS(=O)(=O)N1CCN(C(=O)[O-])C[C@H]1C#N	ZINC000826847927	614467293	/nfs/dbraw/zinc/46/72/93/614467293.db2.gz	PREAYOJOFQLNQJ-SECBINFHSA-N	-1	0	275.330	0.304	20	30		CCEDRM
N#CCNS(=O)(=O)c1ccc(OCCC(=O)[O-])cc1	ZINC000040605450	602153019	/nfs/dbraw/zinc/15/30/19/602153019.db2.gz	KZGRINVXVOEVDO-UHFFFAOYSA-N	-1	0	284.293	0.342	20	30		CCEDRM
N#Cc1ncn(CC(=O)Nc2ccccc2CC(=O)[O-])n1	ZINC000819111212	597268260	/nfs/dbraw/zinc/26/82/60/597268260.db2.gz	OCRHHDMUNLWJEL-UHFFFAOYSA-N	-1	0	285.263	0.416	20	30		CCEDRM
C#CCOCCN=c1nn[n-]n1Cc1ccccc1	ZINC000893143278	612985161	/nfs/dbraw/zinc/98/51/61/612985161.db2.gz	LCGILIHQTXPAKO-UHFFFAOYSA-N	-1	0	257.297	0.205	20	30		CCEDRM
C[C@H](C(=O)[O-])N(C)CC(=O)NCc1ccc(C#N)cc1	ZINC000817772373	597472393	/nfs/dbraw/zinc/47/23/93/597472393.db2.gz	WNIHMJKXMQSPDI-SNVBAGLBSA-N	-1	0	275.308	0.579	20	30		CCEDRM
N#Cc1cccc(OCC(=O)N2CC[C@H](C(=O)[O-])C2)c1	ZINC000819106318	597503103	/nfs/dbraw/zinc/50/31/03/597503103.db2.gz	MMCLHXDCRXRYNG-NSHDSACASA-N	-1	0	274.276	0.870	20	30		CCEDRM
C[C@](C#N)(CC(=O)[O-])C(=O)NCCCC(=O)NC1CC1	ZINC000819833920	597607063	/nfs/dbraw/zinc/60/70/63/597607063.db2.gz	KLCKTQSNHVAUCF-CYBMUJFWSA-N	-1	0	281.312	0.166	20	30		CCEDRM
C[C@](C#N)(CC(=O)[O-])C(=O)OCc1nnnn1C1CC1	ZINC000819874108	597616674	/nfs/dbraw/zinc/61/66/74/597616674.db2.gz	HNXPDITUBZFDEB-LLVKDONJSA-N	-1	0	279.256	0.056	20	30		CCEDRM
C[C@H](OC(=O)[C@@](C)(C#N)CC(=O)[O-])C(=O)NC(C)(C)C	ZINC000820160555	597617116	/nfs/dbraw/zinc/61/71/16/597617116.db2.gz	GQKVLZWCOUQCOS-ISVAXAHUSA-N	-1	0	284.312	0.837	20	30		CCEDRM
C[C@@](C#N)(CC(=O)[O-])C(=O)NCCNc1ncccn1	ZINC000819841622	597637513	/nfs/dbraw/zinc/63/75/13/597637513.db2.gz	BUZYEQQPSWUVOW-LBPRGKRZSA-N	-1	0	277.284	0.009	20	30		CCEDRM
C[C@](C#N)(CC(=O)[O-])C(=O)N1CCO[C@@H](C(F)(F)F)C1	ZINC000819821595	597648218	/nfs/dbraw/zinc/64/82/18/597648218.db2.gz	IQJYYJGEPNRXNB-GMSGAONNSA-N	-1	0	294.229	0.781	20	30		CCEDRM
C[C@@](C#N)(CC(=O)[O-])C(=O)N1CC[C@@](O)(C(F)(F)F)C1	ZINC000819811906	597649720	/nfs/dbraw/zinc/64/97/20/597649720.db2.gz	WSHXETITDINJGV-UWVGGRQHSA-N	-1	0	294.229	0.517	20	30		CCEDRM
C[C@@](C#N)(CC(=O)[O-])C(=O)N1CCC2(CNC(=O)C2)CC1	ZINC000819811108	597652575	/nfs/dbraw/zinc/65/25/75/597652575.db2.gz	JZPMAHQRHPJUFS-ZDUSSCGKSA-N	-1	0	293.323	0.120	20	30		CCEDRM
Cc1nnc([C@@H](C)NC(=O)[C@](C)(C#N)CC(=O)[O-])o1	ZINC000821216637	597656742	/nfs/dbraw/zinc/65/67/42/597656742.db2.gz	JVUDFPUYUMOFOF-KBUNVGBDSA-N	-1	0	266.257	0.560	20	30		CCEDRM
C[C@@](C#N)(CC(=O)[O-])C(=O)NCc1ccc(F)cn1	ZINC000819842319	597656762	/nfs/dbraw/zinc/65/67/62/597656762.db2.gz	MNECIUAEZAEGSO-LBPRGKRZSA-N	-1	0	265.244	0.841	20	30		CCEDRM
C[C@](C#N)(CC(=O)[O-])C(=O)N[C@H]1CCc2[nH]cnc2C1	ZINC000819832900	597658136	/nfs/dbraw/zinc/65/81/36/597658136.db2.gz	DKOKUXINVAPEAX-ISVAXAHUSA-N	-1	0	276.296	0.388	20	30		CCEDRM
O=C([O-])CCNN=Cc1ccc(N2CCOCC2)s1	ZINC000821524285	597739589	/nfs/dbraw/zinc/73/95/89/597739589.db2.gz	AROYGRJQFPAVLI-UHFFFAOYSA-N	-1	0	283.353	0.983	20	30		CCEDRM
O=C([O-])CCNN=C1C(=O)Nc2ccc([N+](=O)[O-])cc21	ZINC000821524478	597740955	/nfs/dbraw/zinc/74/09/55/597740955.db2.gz	CKXZKMPYZVBJBN-UHFFFAOYSA-N	-1	0	278.224	0.315	20	30		CCEDRM
O=C([O-])CCNN=C1C(=O)Nc2c1cccc2F	ZINC000821524862	597742668	/nfs/dbraw/zinc/74/26/68/597742668.db2.gz	IBAWZZUQUKGXBZ-UHFFFAOYSA-N	-1	0	251.217	0.546	20	30		CCEDRM
N#CCOc1cc(F)ccc1NCC(=O)NCC(=O)[O-]	ZINC000821324951	597748333	/nfs/dbraw/zinc/74/83/33/597748333.db2.gz	ZXVJWROATFVRCR-UHFFFAOYSA-N	-1	0	281.243	0.341	20	30		CCEDRM
Cc1cc(NC(=O)C(=O)NC[C@@H](C)C#N)ccc1C(=O)[O-]	ZINC000820996854	598170984	/nfs/dbraw/zinc/17/09/84/598170984.db2.gz	KRMNQLGQMPXKRH-QMMMGPOBSA-N	-1	0	289.291	0.908	20	30		CCEDRM
Cc1nn(C)c(C)c1CCNC(=O)[C@](C)(C#N)CC(=O)[O-]	ZINC000821202115	598223975	/nfs/dbraw/zinc/22/39/75/598223975.db2.gz	CRZTYPZVBMXYFJ-AWEZNQCLSA-N	-1	0	292.339	0.700	20	30		CCEDRM
Cc1cc(CNC(=O)[C@@](C)(C#N)CC(=O)[O-])on1	ZINC000820976891	598225381	/nfs/dbraw/zinc/22/53/81/598225381.db2.gz	VFXPVOGWIBGWAW-LLVKDONJSA-N	-1	0	251.242	0.604	20	30		CCEDRM
Cn1cnc2c1CCN(C(=O)[C@](C)(C#N)CC(=O)[O-])C2	ZINC000821310224	598226191	/nfs/dbraw/zinc/22/61/91/598226191.db2.gz	ATQLARILNNXLEG-ZDUSSCGKSA-N	-1	0	276.296	0.309	20	30		CCEDRM
C[C@@](C#N)(CC(=O)[O-])C(=O)NC[C@]1(C)CCOC1	ZINC000820214964	598227415	/nfs/dbraw/zinc/22/74/15/598227415.db2.gz	MUNBZZUDIMIXST-RYUDHWBXSA-N	-1	0	254.286	0.534	20	30		CCEDRM
C[C@](C#N)(CC(=O)[O-])C(=O)Nc1ccc(C(N)=O)cc1F	ZINC000819847485	598229175	/nfs/dbraw/zinc/22/91/75/598229175.db2.gz	MXESBWVYQAJGKO-CYBMUJFWSA-N	-1	0	293.254	0.868	20	30		CCEDRM
C#CCO[N-]C(=O)[C@H]1CC[C@@H](CCC(=O)OC)O1	ZINC000824484210	612992944	/nfs/dbraw/zinc/99/29/44/612992944.db2.gz	YBVBKWQHFQRHBV-VHSXEESVSA-N	-1	0	255.270	0.168	20	30		CCEDRM
C#CCO[C@@H](C)C(=O)NCc1nc(C)c(C(=O)[O-])s1	ZINC000909502584	612996700	/nfs/dbraw/zinc/99/67/00/612996700.db2.gz	SITSCAXERFAFTD-QMMMGPOBSA-N	-1	0	282.321	0.804	20	30		CCEDRM
C#CCO[C@@H](C)C(=O)Nc1ncc(C(=O)OCC)[n-]1	ZINC000841221868	612997722	/nfs/dbraw/zinc/99/77/22/612997722.db2.gz	MFWVXGISKKXNPZ-QMMMGPOBSA-N	-1	0	265.269	0.563	20	30		CCEDRM
C#CCNC(=O)Cn1nc(C)c([C@H](C)C(=O)[O-])c1C	ZINC000833365435	612946278	/nfs/dbraw/zinc/94/62/78/612946278.db2.gz	JLQIKLWICUDWAR-QMMMGPOBSA-N	-1	0	263.297	0.437	20	30		CCEDRM
N#CCSCC(=O)N1CCC2(C[C@@H]2C(=O)[O-])CC1	ZINC000405446339	600265798	/nfs/dbraw/zinc/26/57/98/600265798.db2.gz	SMYNBWXHHYCCFI-SECBINFHSA-N	-1	0	268.338	0.956	20	30		CCEDRM
N#CCN(CC(=O)[O-])C(=O)Cn1ccc(=O)c2ccccc21	ZINC000739079187	600406819	/nfs/dbraw/zinc/40/68/19/600406819.db2.gz	SUOYVKQCOCTEGO-UHFFFAOYSA-N	-1	0	299.286	0.438	20	30		CCEDRM
C[C@H](C#N)C(=O)N(CCC(=O)[O-])C[C@@H]1CCCO1	ZINC000825967256	600955057	/nfs/dbraw/zinc/95/50/57/600955057.db2.gz	RZVBXOPDHCHVJV-ZJUUUORDSA-N	-1	0	254.286	0.628	20	30		CCEDRM
N#CCN(CC(=O)[O-])CC(=O)NC1(C#N)CCCCC1	ZINC000833065720	601004279	/nfs/dbraw/zinc/00/42/79/601004279.db2.gz	GRBUQYNTSMIIAO-UHFFFAOYSA-N	-1	0	278.312	0.239	20	30		CCEDRM
N#CCN(CC(=O)[O-])C[C@H](O)COc1ccc(F)cc1	ZINC000833067845	601005368	/nfs/dbraw/zinc/00/53/68/601005368.db2.gz	YYFFSMBAXMIITD-NSHDSACASA-N	-1	0	282.271	0.476	20	30		CCEDRM
C#CCSCC(=O)[N-]S(=O)(=O)C(CC)CC	ZINC000892692621	613013032	/nfs/dbraw/zinc/01/30/32/613013032.db2.gz	XYMVQYXIRVIEPP-UHFFFAOYSA-N	-1	0	263.384	0.987	20	30		CCEDRM
N#Cc1cc(F)ccc1NC(=O)C(=O)NCCC(=O)[O-]	ZINC000819095760	601362021	/nfs/dbraw/zinc/36/20/21/601362021.db2.gz	KPUQBWPYXFNCMP-UHFFFAOYSA-N	-1	0	279.227	0.227	20	30		CCEDRM
CCN(CCC#N)CC(=O)N[C@H](CC(C)C)C(=O)[O-]	ZINC000829697632	601376727	/nfs/dbraw/zinc/37/67/27/601376727.db2.gz	VBBXAARZTJJHAV-LLVKDONJSA-N	-1	0	269.345	0.837	20	30		CCEDRM
C=CCN(CC=C)C(=O)CN1CCO[C@@H](CC(=O)[O-])C1	ZINC000091295722	601457489	/nfs/dbraw/zinc/45/74/89/601457489.db2.gz	DXRMIGIPJIPYIH-LBPRGKRZSA-N	-1	0	282.340	0.363	20	30		CCEDRM
C[C@@H](C#N)CNS(=O)(=O)CC1(CC(=O)[O-])CC1	ZINC000825966909	601518934	/nfs/dbraw/zinc/51/89/34/601518934.db2.gz	PDZLRJUPYNXGCK-QMMMGPOBSA-N	-1	0	260.315	0.320	20	30		CCEDRM
C[C@@H]1CN(S(=O)(=O)CCCC#N)C[C@H]1C(=O)[O-]	ZINC000828469926	601589084	/nfs/dbraw/zinc/58/90/84/601589084.db2.gz	DBCJOPFPSXAMAT-RKDXNWHRSA-N	-1	0	260.315	0.272	20	30		CCEDRM
C#CCCCNC(=O)N1CCO[C@H](CC(=O)[O-])C1	ZINC000229854725	601778821	/nfs/dbraw/zinc/77/88/21/601778821.db2.gz	VMSFRAOLPBKRTA-SNVBAGLBSA-N	-1	0	254.286	0.285	20	30		CCEDRM
C[C@@H]1CN(C(=O)Nc2ccn(CCC#N)n2)C[C@@H]1C(=O)[O-]	ZINC000828388271	601794353	/nfs/dbraw/zinc/79/43/53/601794353.db2.gz	XMCWNJAPAMIOFP-ZJUUUORDSA-N	-1	0	291.311	0.981	20	30		CCEDRM
COc1cc(C(=O)N(CC#N)CC(=O)[O-])ccc1F	ZINC000831866636	602015683	/nfs/dbraw/zinc/01/56/83/602015683.db2.gz	XSBOBURIPSZOTF-UHFFFAOYSA-N	-1	0	266.228	0.885	20	30		CCEDRM
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C#CCSCCNC(=O)NC1CN(C(=O)[O-])C1	ZINC000823467156	613016840	/nfs/dbraw/zinc/01/68/40/613016840.db2.gz	QKEAZXYXITYIGF-UHFFFAOYSA-N	-1	0	257.315	0.014	20	30		CCEDRM
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COc1cc(C=NN2CCOCC2)ccc1OCC(=O)[O-]	ZINC000916289626	617179109	/nfs/dbraw/zinc/17/91/09/617179109.db2.gz	JSONOMFQDQCBIN-UHFFFAOYSA-N	-1	0	294.307	0.825	20	30		CCEDRM
Cn1c(=O)[nH]cc(C(=O)C=Cc2ccc(C(=O)[O-])o2)c1=O	ZINC000833037521	602300089	/nfs/dbraw/zinc/30/00/89/602300089.db2.gz	DBPVNAWELMOIKU-DUXPYHPUSA-N	-1	0	290.231	0.673	20	30		CCEDRM
Cc1ccc(S(=O)(=O)NN=C2CN(C(=O)[O-])C2)cc1	ZINC000740147834	602641699	/nfs/dbraw/zinc/64/16/99/602641699.db2.gz	OESXCOOWGFASMV-UHFFFAOYSA-N	-1	0	283.309	0.623	20	30		CCEDRM
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C#Cc1cccc(N(C)C(=O)[C@@H]2C[C@H](O)CN2C(=O)[O-])c1	ZINC000823466531	603748021	/nfs/dbraw/zinc/74/80/21/603748021.db2.gz	CUPQQCCNENMWSD-STQMWFEESA-N	-1	0	288.303	0.744	20	30		CCEDRM
Cc1nc(-c2nnn[n-]2)c(N=NC2CCO[C@H]2C)o1	ZINC000826322918	607654051	/nfs/dbraw/zinc/65/40/51/607654051.db2.gz	HKTBRGUEJLTKEE-YFKPBYRVSA-N	-1	0	263.261	0.740	20	30		CCEDRM
N#C[C@@H]1CCC[C@H]1NC(=O)CN(C[C@H]1CCCO1)C(=O)[O-]	ZINC000831076652	603959091	/nfs/dbraw/zinc/95/90/91/603959091.db2.gz	QKWQICPZBLUMJP-QJPTWQEYSA-N	-1	0	295.339	0.954	20	30		CCEDRM
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N#C[C@H]1CN(C(=O)[O-])CCN1C(=O)[C@@H]1CC12CCOCC2	ZINC000831075671	604083105	/nfs/dbraw/zinc/08/31/05/604083105.db2.gz	BRLSEUPLSCEEFZ-QWRGUYRKSA-N	-1	0	293.323	0.517	20	30		CCEDRM
Cc1cc(CC(=O)N2CCN(C(=O)[O-])C[C@@H]2C#N)no1	ZINC000830029720	604084981	/nfs/dbraw/zinc/08/49/81/604084981.db2.gz	IEKCGQWXIOFRLY-JTQLQIEISA-N	-1	0	278.268	0.240	20	30		CCEDRM
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Cc1ncc(C(=O)N2CCN(C(=O)[O-])C[C@@H]2C#N)s1	ZINC000830803507	604088757	/nfs/dbraw/zinc/08/87/57/604088757.db2.gz	AGYOCSALRCAACC-QMMMGPOBSA-N	-1	0	280.309	0.780	20	30		CCEDRM
C[C@@H](CN(C)C(=O)[O-])C(=O)NC1(C#N)CCOCC1	ZINC000824849076	604175083	/nfs/dbraw/zinc/17/50/83/604175083.db2.gz	RKQBOFGMLWCOGU-VIFPVBQESA-N	-1	0	269.301	0.421	20	30		CCEDRM
C[C@H](CN(C)C(=O)[O-])C(=O)O[C@H](C)C(=O)N(C)CCC#N	ZINC000824880828	604246569	/nfs/dbraw/zinc/24/65/69/604246569.db2.gz	NTTGSRWEBIFZJI-NXEZZACHSA-N	-1	0	299.327	0.536	20	30		CCEDRM
N#C[C@@H]1CN(C(=O)[O-])CCN1C(=O)[C@@H]1CC12CCC2	ZINC000831076899	604373429	/nfs/dbraw/zinc/37/34/29/604373429.db2.gz	UKJVOLNMINHVFO-ZJUUUORDSA-N	-1	0	263.297	0.891	20	30		CCEDRM
C[C@@H]1CN([C@@H](C(=O)[O-])c2cccc(C#N)c2)C[C@H]1O	ZINC000833621780	604568749	/nfs/dbraw/zinc/56/87/49/604568749.db2.gz	JTEZLLYINHPMGV-OASPWFOLSA-N	-1	0	260.293	0.997	20	30		CCEDRM
N#Cc1ccc(NC(=O)C(=O)NCCCC(=O)[O-])c(F)c1	ZINC000819100666	604825871	/nfs/dbraw/zinc/82/58/71/604825871.db2.gz	YPDOZBKZLUIRES-UHFFFAOYSA-N	-1	0	293.254	0.617	20	30		CCEDRM
N#CCCN(CC1CC1)C(=O)C[C@H]1CN(C(=O)[O-])CCO1	ZINC000831097378	604832849	/nfs/dbraw/zinc/83/28/49/604832849.db2.gz	IGSHIYUQQPZWER-LBPRGKRZSA-N	-1	0	295.339	0.908	20	30		CCEDRM
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C#CC1(O)CN(C(=O)CSc2n[n-]c(=S)s2)C1	ZINC000890523215	612953892	/nfs/dbraw/zinc/95/38/92/612953892.db2.gz	MMDOVKOSWMEQFD-UHFFFAOYSA-N	-1	0	287.391	0.125	20	30		CCEDRM
C#CCNS(=O)(=O)c1ccc(C2(C(=O)[O-])CC2)cc1	ZINC000126102726	605131257	/nfs/dbraw/zinc/13/12/57/605131257.db2.gz	POGDCZAUCZMLGH-UHFFFAOYSA-N	-1	0	279.317	0.714	20	30		CCEDRM
Cn1cc(C#N)cc1C(=O)NCC1(NC(=O)[O-])CCC1	ZINC000833945407	605306709	/nfs/dbraw/zinc/30/67/09/605306709.db2.gz	QZZZZQULYVHODM-UHFFFAOYSA-N	-1	0	276.296	0.817	20	30		CCEDRM
N#Cc1cc(C(=O)NC[C@H]2CCN(C(=O)[O-])C2)c[nH]1	ZINC000833970872	605311530	/nfs/dbraw/zinc/31/15/30/605311530.db2.gz	VVIGMNYVUKDEEE-MRVPVSSYSA-N	-1	0	262.269	0.616	20	30		CCEDRM
C[C@@H](NC(=O)[O-])[C@H]1CN(c2ccc(C#N)nn2)CCO1	ZINC000833820497	605417412	/nfs/dbraw/zinc/41/74/12/605417412.db2.gz	RUBFGFKWBHPRFP-PSASIEDQSA-N	-1	0	277.284	0.210	20	30		CCEDRM
C[C@H](NC(=O)[O-])[C@H]1CN(c2ccc(C#N)nn2)CCO1	ZINC000833820499	605417541	/nfs/dbraw/zinc/41/75/41/605417541.db2.gz	RUBFGFKWBHPRFP-WCBMZHEXSA-N	-1	0	277.284	0.210	20	30		CCEDRM
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O=C([O-])NCCC=NNC(=S)NCCc1ccccn1	ZINC000832605004	605467237	/nfs/dbraw/zinc/46/72/37/605467237.db2.gz	GQHHMIKWYXLGHF-UHFFFAOYSA-N	-1	0	295.368	0.732	20	30		CCEDRM
N#C[C@@H]1CN(C(=O)[O-])CCN1C(=O)c1cnco1	ZINC000833965674	605494843	/nfs/dbraw/zinc/49/48/43/605494843.db2.gz	CXUDLDKVJANJSB-SSDOTTSWSA-N	-1	0	250.214	0.003	20	30		CCEDRM
N#C[C@H]1CN(C(=O)[O-])C[C@H]1NCC1(O)CCCC1	ZINC000833968970	605674788	/nfs/dbraw/zinc/67/47/88/605674788.db2.gz	YTYUINLQKHPMFH-VHSXEESVSA-N	-1	0	253.302	0.383	20	30		CCEDRM
Cc1onc(CC(=O)NC[C@H]2CCCN2C(=O)[O-])c1C#N	ZINC000833937319	605695325	/nfs/dbraw/zinc/69/53/25/605695325.db2.gz	WZADFNLMILSLMT-SECBINFHSA-N	-1	0	292.295	0.656	20	30		CCEDRM
N#CCCn1ncc2c1ncnc2N1CCCN1C(=O)[O-]	ZINC000833965372	605754932	/nfs/dbraw/zinc/75/49/32/605754932.db2.gz	LEMMNGGNVMNUOR-UHFFFAOYSA-N	-1	0	287.283	0.845	20	30		CCEDRM
N#C[C@@H]1CN(C(=O)[O-])CCN1C(=O)[C@@H]1[C@H]2CCCO[C@H]21	ZINC000833968594	605758237	/nfs/dbraw/zinc/75/82/37/605758237.db2.gz	WNBPEVPAZJHMQT-GWOFURMSSA-N	-1	0	279.296	0.126	20	30		CCEDRM
N#Cc1c(F)cccc1S(=O)(=O)NC1CN(C(=O)[O-])C1	ZINC000833970737	605845225	/nfs/dbraw/zinc/84/52/25/605845225.db2.gz	ZBAAUDARFIMQTL-UHFFFAOYSA-N	-1	0	299.283	0.338	20	30		CCEDRM
C[C@@]1(C(=O)OCC(=O)NCCC#N)CCCN(C(=O)[O-])C1	ZINC000833821474	605858643	/nfs/dbraw/zinc/85/86/43/605858643.db2.gz	GGQXPDFMTDKZNH-CYBMUJFWSA-N	-1	0	297.311	0.340	20	30		CCEDRM
Cn1ccnc(N=NCc2cccnc2NC(=O)[O-])c1=O	ZINC000833952777	605955275	/nfs/dbraw/zinc/95/52/75/605955275.db2.gz	QFURUIVKXNALIU-UHFFFAOYSA-N	-1	0	288.267	0.711	20	30		CCEDRM
C[C@@H](NC(=O)[O-])[C@H]1CN(CC2(C#N)CC2)CCO1	ZINC000833819616	606002230	/nfs/dbraw/zinc/00/22/30/606002230.db2.gz	OIBCNPWRKRMZIA-NXEZZACHSA-N	-1	0	253.302	0.647	20	30		CCEDRM
N#CCCCCNC(=O)c1cnc(NC(=O)[O-])cn1	ZINC000833969998	606003210	/nfs/dbraw/zinc/00/32/10/606003210.db2.gz	ZKEXKVADNZSEAO-UHFFFAOYSA-N	-1	0	263.257	0.990	20	30		CCEDRM
N#CCn1cc(NC(=O)[C@@H](CC(F)F)NC(=O)[O-])cn1	ZINC000833969341	606028824	/nfs/dbraw/zinc/02/88/24/606028824.db2.gz	CLOIOMFRMMLEEI-SSDOTTSWSA-N	-1	0	287.226	0.637	20	30		CCEDRM
N#CCn1cc(NC(=O)[C@H](CC(F)F)NC(=O)[O-])cn1	ZINC000833969342	606028851	/nfs/dbraw/zinc/02/88/51/606028851.db2.gz	CLOIOMFRMMLEEI-ZETCQYMHSA-N	-1	0	287.226	0.637	20	30		CCEDRM
N#C[C@H]1CN(C(=O)[O-])CCN1C(=O)c1cccc(F)n1	ZINC000833965862	606058592	/nfs/dbraw/zinc/05/85/92/606058592.db2.gz	FOPHPRKOTLQHHS-QMMMGPOBSA-N	-1	0	278.243	0.549	20	30		CCEDRM
N#Cc1cc(C(=O)N2CCC[C@H]2CNC(=O)[O-])c[nH]1	ZINC000833970848	606089549	/nfs/dbraw/zinc/08/95/49/606089549.db2.gz	UWVJNVUGEYGYBE-JTQLQIEISA-N	-1	0	262.269	0.759	20	30		CCEDRM
N#C[C@H]1CCC[C@H]1Nc1nccnc1-c1nnn[n-]1	ZINC000822806380	606242587	/nfs/dbraw/zinc/24/25/87/606242587.db2.gz	MDDSZKINYZDIBJ-HTQZYQBOSA-N	-1	0	256.273	0.761	20	30		CCEDRM
C#CCCS(=O)(=O)[N-]C(=O)[C@H]1CCC[C@H](OC)C1	ZINC000816056045	613053355	/nfs/dbraw/zinc/05/33/55/613053355.db2.gz	BTTFFAAKNGNFJN-QWRGUYRKSA-N	-1	0	273.354	0.661	20	30		CCEDRM
C#CCCS(=O)(=O)[N-]C(=O)c1cnn(CCCOC)c1	ZINC000860721984	613053907	/nfs/dbraw/zinc/05/39/07/613053907.db2.gz	PGJJBKJRJHIZLI-UHFFFAOYSA-N	-1	0	299.352	0.003	20	30		CCEDRM
N#Cc1nc(NC(=O)C2=CCCCO2)[n-]c1-c1nn[nH]n1	ZINC000822814258	607145727	/nfs/dbraw/zinc/14/57/27/607145727.db2.gz	DIJRJOMGCHGCIK-UHFFFAOYSA-N	-1	0	286.255	0.094	20	30		CCEDRM
C#CC[C@H](NC(=O)Cc1ccc(C)c(O)c1)C(=O)[O-]	ZINC000910049959	613068141	/nfs/dbraw/zinc/06/81/41/613068141.db2.gz	AZIQETCPKAZAIK-NSHDSACASA-N	-1	0	261.277	0.836	20	30		CCEDRM
C#CC[C@H](NC(=O)NCC(=O)[N-]OC)c1ccccc1	ZINC000921665811	613068305	/nfs/dbraw/zinc/06/83/05/613068305.db2.gz	JWVRHFLAJQMAAB-LBPRGKRZSA-N	-1	0	275.308	0.728	20	30		CCEDRM
C=C[C@@H](C)O[N-]C(=O)[C@@H]1CSCN1C(=O)CC	ZINC000846544333	613447112	/nfs/dbraw/zinc/44/71/12/613447112.db2.gz	GJMMOCQEUBXMOR-BDAKNGLRSA-N	-1	0	258.343	0.920	20	30		CCEDRM
C=CC1(S(=O)(=O)[N-]C(=O)Cc2ccco2)CC1	ZINC000870833984	613450886	/nfs/dbraw/zinc/45/08/86/613450886.db2.gz	MQJQRJNAILLLSN-UHFFFAOYSA-N	-1	0	255.295	0.987	20	30		CCEDRM
CC(C)CCO[C@H](C)C(=O)[N-]S(=O)(=O)CCC#N	ZINC000835410960	614057071	/nfs/dbraw/zinc/05/70/71/614057071.db2.gz	HRPRWCIRVIOZJB-SNVBAGLBSA-N	-1	0	276.358	0.797	20	30		CCEDRM
CC(C)S(=O)(=O)CCCN(CC#N)CC(=O)[O-]	ZINC000827066235	614061454	/nfs/dbraw/zinc/06/14/54/614061454.db2.gz	LSGJDUAEIZDEIF-UHFFFAOYSA-N	-1	0	262.331	0.110	20	30		CCEDRM
CC(C)(CNC(=O)CNc1ccc(C#N)cn1)C(=O)[O-]	ZINC000833457614	614095658	/nfs/dbraw/zinc/09/56/58/614095658.db2.gz	NDTAQBKVEXGTDP-UHFFFAOYSA-N	-1	0	276.296	0.592	20	30		CCEDRM
C#CCCCC(=O)N1CC[C@H](OC)C[C@H]1C(=O)[O-]	ZINC000909981675	612974612	/nfs/dbraw/zinc/97/46/12/612974612.db2.gz	VUVQATJFQJDXQN-QWRGUYRKSA-N	-1	0	253.298	0.881	20	30		CCEDRM
CC(C)C[C@H](NC(=O)[O-])C(=O)NC1=NO[C@@H](C)C1	ZINC000833479114	614220043	/nfs/dbraw/zinc/22/00/43/614220043.db2.gz	KURRBMCXWABPPI-YUMQZZPRSA-N	-1	0	257.290	0.907	20	30		CCEDRM
CC(CS(=O)(=O)c1ccc(C)cc1)=NNCC(=O)[O-]	ZINC000814960763	614381797	/nfs/dbraw/zinc/38/17/97/614381797.db2.gz	VDOPTUQDYINCCB-UHFFFAOYSA-N	-1	0	284.337	0.819	20	30		CCEDRM
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C#CC1(F)CN(C(=O)Cc2cc(=O)n(CC(C)C)[n-]2)C1	ZINC000829316367	612946946	/nfs/dbraw/zinc/94/69/46/612946946.db2.gz	JHCZZJKMEBZWGH-UHFFFAOYSA-N	-1	0	279.315	0.559	20	30		CCEDRM
C#CC1(O)CN(C(=O)c2s[n-]c(=O)c2Cl)C1	ZINC000890525265	612960039	/nfs/dbraw/zinc/96/00/39/612960039.db2.gz	QNHHRJMAALNRKU-UHFFFAOYSA-N	-1	0	258.686	0.322	20	30		CCEDRM
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C#CCC(C)(C)C(=O)[N-]S(=O)(=O)C[C@H]1CCOC1	ZINC000810645298	612966041	/nfs/dbraw/zinc/96/60/41/612966041.db2.gz	VAFJMWUUVSCLLA-JTQLQIEISA-N	-1	0	273.354	0.518	20	30		CCEDRM
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C#CCOCCOC(=O)[C@@H]([N-]C(=O)C(F)(F)F)C(C)C	ZINC000815983796	612990496	/nfs/dbraw/zinc/99/04/96/612990496.db2.gz	RJZWYRKCMVITGA-VIFPVBQESA-N	-1	0	295.257	0.883	20	30		CCEDRM
C#CCO[N-]C(=O)[C@H]1CCC[N@@H+]1Cc1ccccn1	ZINC000855607059	612993015	/nfs/dbraw/zinc/99/30/15/612993015.db2.gz	VSMSRKBIHCAGOY-CYBMUJFWSA-N	-1	0	259.309	0.727	20	30		CCEDRM
C#CCO[C@@H](C)C(=O)N1CCCC[C@H]1CC(=O)[O-]	ZINC000909496975	612994290	/nfs/dbraw/zinc/99/42/90/612994290.db2.gz	KNOLGJNZOKDUHQ-QWRGUYRKSA-N	-1	0	253.298	0.881	20	30		CCEDRM
C#CCO[C@@H](C)C(=O)N1CCC[C@@](C)(C(=O)[O-])C1	ZINC000909842625	612994614	/nfs/dbraw/zinc/99/46/14/612994614.db2.gz	NWNXYAFHLRLBNM-GXFFZTMASA-N	-1	0	253.298	0.738	20	30		CCEDRM
C#CCO[C@H](C)C(=O)N(CCC(=O)[O-])C1CCOCC1	ZINC000909031161	612998985	/nfs/dbraw/zinc/99/89/85/612998985.db2.gz	TYZCGXGKDVMRQS-LLVKDONJSA-N	-1	0	283.324	0.507	20	30		CCEDRM
C#CCO[C@H](C)C(=O)N1CCC[C@@](COC)(C(=O)[O-])C1	ZINC000909714867	612999354	/nfs/dbraw/zinc/99/93/54/612999354.db2.gz	YLHCBBAMIKRDFW-BXUZGUMPSA-N	-1	0	283.324	0.365	20	30		CCEDRM
C#CCO[C@H](C)C(=O)NC[C@H](CC(C)C)C(=O)[O-]	ZINC000909292467	613001794	/nfs/dbraw/zinc/00/17/94/613001794.db2.gz	VQFAFZVZTCEPHE-MNOVXSKESA-N	-1	0	255.314	0.888	20	30		CCEDRM
C#CCOc1cc(F)ccc1NCC(=O)NCC(=O)[O-]	ZINC000819706294	613004796	/nfs/dbraw/zinc/00/47/96/613004796.db2.gz	UYVWJGMQKBQQCX-UHFFFAOYSA-N	-1	0	280.255	0.450	20	30		CCEDRM
C#CCOc1ccc(CNC(=O)NCC(=O)[N-]OC)cc1	ZINC000922728332	613006307	/nfs/dbraw/zinc/00/63/07/613006307.db2.gz	PCAFUWYTGLEZBI-UHFFFAOYSA-N	-1	0	291.307	0.175	20	30		CCEDRM
C#CCOc1ccc(NC(=O)N[C@H](COC)C(=O)[O-])cc1	ZINC000797744731	613007270	/nfs/dbraw/zinc/00/72/70/613007270.db2.gz	WVIMQARKQXRICD-GFCCVEGCSA-N	-1	0	292.291	0.920	20	30		CCEDRM
C#CCOc1ccccc1CNC(=O)N1CC(C(=O)[O-])C1	ZINC000857096487	613007812	/nfs/dbraw/zinc/00/78/12/613007812.db2.gz	ACGLFHIHLLAWFC-UHFFFAOYSA-N	-1	0	288.303	0.925	20	30		CCEDRM
C#CCOc1ccccc1NC(=O)NCCOCC(=O)[O-]	ZINC000864601369	613008373	/nfs/dbraw/zinc/00/83/73/613008373.db2.gz	RSNVVPYXGLKNKQ-UHFFFAOYSA-N	-1	0	292.291	0.921	20	30		CCEDRM
C#CCCN1CCN(C(=O)[C@@H]2CC[C@@H](NC(=O)[O-])C2)CC1	ZINC000823444501	613009745	/nfs/dbraw/zinc/00/97/45/613009745.db2.gz	KUHMNAIQHCAUPM-CHWSQXEVSA-N	-1	0	293.367	0.590	20	30		CCEDRM
C#CC[C@@H](COC)N=c1nn[n-]n1Cc1ccccc1	ZINC000894830896	613031226	/nfs/dbraw/zinc/03/12/26/613031226.db2.gz	VHJZHXRHZSNCHV-ZDUSSCGKSA-N	-1	0	271.324	0.594	20	30		CCEDRM
C#CC[C@@H](NC(=O)/C=C/C1(C)CCOCC1)C(=O)[O-]	ZINC000910050325	613039253	/nfs/dbraw/zinc/03/92/53/613039253.db2.gz	HYPXIELCSKIBAF-MVIFTORASA-N	-1	0	265.309	0.952	20	30		CCEDRM
C#CC[C@@H](NC(=O)C1(C)CCC2(CC1)OCCO2)C(=O)[O-]	ZINC000907719681	613039417	/nfs/dbraw/zinc/03/94/17/613039417.db2.gz	SHPBEIZDEGWDSF-LLVKDONJSA-N	-1	0	295.335	0.903	20	30		CCEDRM
C#CC[C@@H](NC(=O)CCOCCCOC)C(=O)[O-]	ZINC000910046049	613039684	/nfs/dbraw/zinc/03/96/84/613039684.db2.gz	KMVJQMVLZYYGPR-SNVBAGLBSA-N	-1	0	257.286	0.022	20	30		CCEDRM
C#CC[C@@H](NC(=O)C[C@@H](C)n1ccc(C)n1)C(=O)[O-]	ZINC000910051410	613040068	/nfs/dbraw/zinc/04/00/68/613040068.db2.gz	USMVSZFODUILSP-GHMZBOCLSA-N	-1	0	263.297	0.735	20	30		CCEDRM
C#CC[C@@H](NC(=O)Cc1csc2nccn12)C(=O)[O-]	ZINC000910054719	613040352	/nfs/dbraw/zinc/04/03/52/613040352.db2.gz	WNNGZAQBYJDLTC-SECBINFHSA-N	-1	0	277.305	0.531	20	30		CCEDRM
C#CC[C@@H](NC(=O)[C@@H]1CCCN(C(=O)CCC)C1)C(=O)[O-]	ZINC000910052716	613040663	/nfs/dbraw/zinc/04/06/63/613040663.db2.gz	HDCVSXWEBJESAO-VXGBXAGGSA-N	-1	0	294.351	0.618	20	30		CCEDRM
C#CC[C@@H](NC(=O)c1c(C)nn(CC)c1C)C(=O)[O-]	ZINC000910055015	613041632	/nfs/dbraw/zinc/04/16/32/613041632.db2.gz	WGDNQKSRNLJXCE-SNVBAGLBSA-N	-1	0	263.297	0.726	20	30		CCEDRM
C#CC[C@@H](NC(=O)c1cn(C)nc1C(C)C)C(=O)[O-]	ZINC000910054444	613042179	/nfs/dbraw/zinc/04/21/79/613042179.db2.gz	OEJDGOHTBZGUCR-SNVBAGLBSA-N	-1	0	263.297	0.750	20	30		CCEDRM
C#CC[C@@H](NC(=O)c1cnn(C2CCC2)c1)C(=O)[O-]	ZINC000907717914	613042223	/nfs/dbraw/zinc/04/22/23/613042223.db2.gz	AFNCPNYVKOJQPK-LLVKDONJSA-N	-1	0	261.281	0.814	20	30		CCEDRM
C#CC[C@@H](OC(=O)[C@@H]1CN(C(=O)[O-])CCO1)C(C)C	ZINC000823440898	613043326	/nfs/dbraw/zinc/04/33/26/613043326.db2.gz	MEBZGMCOZOTBBQ-MNOVXSKESA-N	-1	0	269.297	0.956	20	30		CCEDRM
C#CCCNC(=O)C[C@@H]1CSCCN1C(=O)[O-]	ZINC000823445406	613046890	/nfs/dbraw/zinc/04/68/90/613046890.db2.gz	ZTHZZVRGZBWLPZ-SECBINFHSA-N	-1	0	256.327	0.611	20	30		CCEDRM
C#CCCNC(=O)C(=O)Nc1cccc(F)c1C(=O)[O-]	ZINC000833365244	613046916	/nfs/dbraw/zinc/04/69/16/613046916.db2.gz	LOZMHEDTGVZHBJ-UHFFFAOYSA-N	-1	0	278.239	0.602	20	30		CCEDRM
C#CCCNS(=O)(=O)c1cccc(C)c1C(=O)[O-]	ZINC000833364692	613048131	/nfs/dbraw/zinc/04/81/31/613048131.db2.gz	AMENSVBQDQMCPU-UHFFFAOYSA-N	-1	0	267.306	0.995	20	30		CCEDRM
C#CCCS(=O)(=O)[N-]C(=O)[C@@H]1O[C@H](C)C[C@@H]1C	ZINC000810785540	613053126	/nfs/dbraw/zinc/05/31/26/613053126.db2.gz	LLHYTYVDGCDCDU-IVZWLZJFSA-N	-1	0	259.327	0.269	20	30		CCEDRM
C#CCCS(=O)(=O)[N-]C(=O)c1c(C)noc1C	ZINC000798202968	613053426	/nfs/dbraw/zinc/05/34/26/613053426.db2.gz	PGQVPRRSFJNWML-UHFFFAOYSA-N	-1	0	256.283	0.374	20	30		CCEDRM
C#CCCS(=O)(=O)[N-]C(=O)[C@H](OC)[C@H](C)CC	ZINC000810778590	613053450	/nfs/dbraw/zinc/05/34/50/613053450.db2.gz	FHGPFEDWRXUABG-NXEZZACHSA-N	-1	0	261.343	0.517	20	30		CCEDRM
C#CCCS(=O)(=O)[N-]C(=O)c1cc(C)nn1CC	ZINC000810781845	613053615	/nfs/dbraw/zinc/05/36/15/613053615.db2.gz	VZUGBMOMWGAAIX-UHFFFAOYSA-N	-1	0	269.326	0.294	20	30		CCEDRM
C#CCCS(=O)(=O)[N-]C(=O)c1cccnc1OC(C)C	ZINC000810780686	613053727	/nfs/dbraw/zinc/05/37/27/613053727.db2.gz	MQFYJFKTMIQCCG-UHFFFAOYSA-N	-1	0	296.348	0.952	20	30		CCEDRM
C#CC[C@H](CO)NC(=O)Cc1cccc(C(=O)[O-])c1	ZINC000911395162	613053792	/nfs/dbraw/zinc/05/37/92/613053792.db2.gz	NAEHLLAGURYXSU-GFCCVEGCSA-N	-1	0	261.277	0.428	20	30		CCEDRM
C#CCCS(=O)(=O)[N-]C(=O)c1cnc(C)nc1C(C)C	ZINC000788071175	613053816	/nfs/dbraw/zinc/05/38/16/613053816.db2.gz	OISOBUASDRPLQV-UHFFFAOYSA-N	-1	0	295.364	0.991	20	30		CCEDRM
C#CCCS(=O)(=O)[N-]C(=O)c1cnn(C)c1CC	ZINC000810783697	613053843	/nfs/dbraw/zinc/05/38/43/613053843.db2.gz	AFVAJEXVQPSUBR-UHFFFAOYSA-N	-1	0	269.326	0.065	20	30		CCEDRM
C#CCCS(=O)(=O)[N-]C(=O)c1cn(C)nc1C(F)F	ZINC000810782116	613053850	/nfs/dbraw/zinc/05/38/50/613053850.db2.gz	KUWCSIACUIVPCG-UHFFFAOYSA-N	-1	0	291.279	0.441	20	30		CCEDRM
C#CC[C@H](NC(=O)C1CCC(OCCOC)CC1)C(=O)[O-]	ZINC000910046410	613067569	/nfs/dbraw/zinc/06/75/69/613067569.db2.gz	OMSLAHYFVNHVQC-BPCQOVAHSA-N	-1	0	297.351	0.801	20	30		CCEDRM
C#CC[C@H](NC(=O)CC1CCN(OC)CC1)C(=O)[O-]	ZINC000910051759	613067620	/nfs/dbraw/zinc/06/76/20/613067620.db2.gz	ZXMIJVSERBAVKJ-NSHDSACASA-N	-1	0	268.313	0.243	20	30		CCEDRM
C#CC[C@H](NC(=O)COCc1ccnc(OC)c1)C(=O)[O-]	ZINC000910050035	613067847	/nfs/dbraw/zinc/06/78/47/613067847.db2.gz	CIYMWGLYINMLNE-NSHDSACASA-N	-1	0	292.291	0.200	20	30		CCEDRM
C#CC[C@H](NC(=O)C[C@@H]1Cc2ccccc2O1)C(=O)[O-]	ZINC000910049292	613068020	/nfs/dbraw/zinc/06/80/20/613068020.db2.gz	VDWFHFZKBVSVDF-RYUDHWBXSA-N	-1	0	273.288	0.973	20	30		CCEDRM
C#CC[C@H](NC(=O)Cc1cnn2c1CCCC2)C(=O)[O-]	ZINC000910050628	613068283	/nfs/dbraw/zinc/06/82/83/613068283.db2.gz	MDTGMIXWMSWKRZ-NSHDSACASA-N	-1	0	275.308	0.355	20	30		CCEDRM
C#CC[C@H](NC(=O)[C@H]1C[C@H](C)Cc2c[nH]nc21)C(=O)[O-]	ZINC000910050908	613069653	/nfs/dbraw/zinc/06/96/53/613069653.db2.gz	PTWRBCLDAMCUKH-MIMYLULJSA-N	-1	0	275.308	0.668	20	30		CCEDRM
C#CCN(C(=O)c1cc(S(N)(=O)=O)ccc1[O-])C1CC1	ZINC000832222325	613069928	/nfs/dbraw/zinc/06/99/28/613069928.db2.gz	ODJHSOKUWZBDDP-UHFFFAOYSA-N	-1	0	294.332	0.277	20	30		CCEDRM
C#CC[C@H](NC(=O)c1ccc2c(c1)CCN2C)C(=O)[O-]	ZINC000910052118	613070143	/nfs/dbraw/zinc/07/01/43/613070143.db2.gz	OMWJMHCTAXRKIG-LBPRGKRZSA-N	-1	0	272.304	0.885	20	30		CCEDRM
C#CC[C@H](NC(=O)c1cnn2c1CCCC2)C(=O)[O-]	ZINC000910054639	613070583	/nfs/dbraw/zinc/07/05/83/613070583.db2.gz	UZYPFSZPFZOBKX-JTQLQIEISA-N	-1	0	261.281	0.426	20	30		CCEDRM
C#CC[C@H](NC(=O)c1cnn(CC2CC2)c1)C(=O)[O-]	ZINC000910048190	613070636	/nfs/dbraw/zinc/07/06/36/613070636.db2.gz	GMUDFZSPPPMDTO-NSHDSACASA-N	-1	0	261.281	0.499	20	30		CCEDRM
C#CC[C@H](NC(=O)c1cnn2c1C[C@H](C)CC2)C(=O)[O-]	ZINC000910045742	613070664	/nfs/dbraw/zinc/07/06/64/613070664.db2.gz	GFENHCGEHSDBRZ-KOLCDFICSA-N	-1	0	275.308	0.672	20	30		CCEDRM
C#C[C@@H](C)NS(=O)(=O)c1cc(C)c(C(=O)OC)o1	ZINC000851783879	613082203	/nfs/dbraw/zinc/08/22/03/613082203.db2.gz	HFMYOOLTMHOZHE-MRVPVSSYSA-N	-1	0	271.294	0.675	20	30		CCEDRM
C#CCN(CC(=O)OC(C)(C)C)C(=O)c1n[nH]c(C)c1[O-]	ZINC000855494412	613104570	/nfs/dbraw/zinc/10/45/70/613104570.db2.gz	JRXRIYGLTOZASA-UHFFFAOYSA-N	-1	0	293.323	0.841	20	30		CCEDRM
C#CCN(CC)C(=O)C(=O)Nc1ccc(F)cc1C(=O)[O-]	ZINC000833364688	613105349	/nfs/dbraw/zinc/10/53/49/613105349.db2.gz	SDRYAXFJGGMNMM-UHFFFAOYSA-N	-1	0	292.266	0.944	20	30		CCEDRM
C#C[C@H]1CCCN(C(=O)CCCn2c(=O)[n-][nH]c2=O)C1	ZINC000912048945	613156807	/nfs/dbraw/zinc/15/68/07/613156807.db2.gz	SBRQZNOCMQXLNK-JTQLQIEISA-N	-1	0	278.312	0.341	20	30		CCEDRM
C#Cc1ccc(C(=O)N2C[C@@H](C)O[C@@H](C(=O)[O-])C2)cc1	ZINC000909896346	613174793	/nfs/dbraw/zinc/17/47/93/613174793.db2.gz	ONWAVBZULYWLQJ-ZWNOBZJWSA-N	-1	0	273.288	0.982	20	30		CCEDRM
C#Cc1ccc(C(=O)NCC(C)(C)NC(=O)[O-])nc1	ZINC000823466543	613177773	/nfs/dbraw/zinc/17/77/73/613177773.db2.gz	DCXLVMPTVFJQHP-UHFFFAOYSA-N	-1	0	261.281	0.839	20	30		CCEDRM
C#Cc1ccccc1CC(=O)[N-]S(=O)(=O)C[C@H](C)OC	ZINC000810722641	613206978	/nfs/dbraw/zinc/20/69/78/613206978.db2.gz	RGJLLVBPQOQHAX-NSHDSACASA-N	-1	0	295.360	0.691	20	30		CCEDRM
C#Cc1cncc(C(=O)N2CCC(c3nnn[n-]3)CC2)c1	ZINC000913745219	613212779	/nfs/dbraw/zinc/21/27/79/613212779.db2.gz	UPIUQUSNHANBKL-UHFFFAOYSA-N	-1	0	282.307	0.596	20	30		CCEDRM
C#Cc1cncc(C(=O)N[C@H](C[C@@H]2CCCO2)C(=O)[O-])c1	ZINC000910592967	613221363	/nfs/dbraw/zinc/22/13/63/613221363.db2.gz	QAIKAZKXARHJOA-QWHCGFSZSA-N	-1	0	288.303	0.815	20	30		CCEDRM
COc1ccnc(C(=O)[N-]S(=O)(=O)CCC#N)c1	ZINC000842792908	617324367	/nfs/dbraw/zinc/32/43/67/617324367.db2.gz	HFFVAYPNNFZGRG-UHFFFAOYSA-N	-1	0	269.282	0.063	20	30		CCEDRM
C=C(C)CN(C)C(=O)COCc1ocnc1C(=O)[O-]	ZINC000909550595	613282231	/nfs/dbraw/zinc/28/22/31/613282231.db2.gz	AUKBQUJVMWBYMI-UHFFFAOYSA-N	-1	0	268.269	0.924	20	30		CCEDRM
C#CCNC(=O)C1CCN(c2cncc(C(=O)[O-])n2)CC1	ZINC000833365359	613323678	/nfs/dbraw/zinc/32/36/78/613323678.db2.gz	HFEPMYVCXQARSH-UHFFFAOYSA-N	-1	0	288.307	0.141	20	30		CCEDRM
C=C(C)CO[N-]C(=O)C1=C(C)OCCS1(=O)=O	ZINC000846536642	613352556	/nfs/dbraw/zinc/35/25/56/613352556.db2.gz	UTFAYSZDEDFITR-UHFFFAOYSA-N	-1	0	261.299	0.287	20	30		CCEDRM
C=C(C)CNC(=O)c1cc(=O)n(-c2nc(C)cc(C)n2)[n-]1	ZINC000907521188	613346615	/nfs/dbraw/zinc/34/66/15/613346615.db2.gz	UGAGYPOFYPOXEP-UHFFFAOYSA-N	-1	0	287.323	0.878	20	30		CCEDRM
C=C(C)CNC(=S)N1CCC([C@H](O)C(=O)[O-])CC1	ZINC000833369153	613346722	/nfs/dbraw/zinc/34/67/22/613346722.db2.gz	HKKKYRFHGAMDEX-JTQLQIEISA-N	-1	0	272.370	0.595	20	30		CCEDRM
C=C(C)COCCNC(=O)N1CCN(C(=O)[O-])CC1	ZINC000823480534	613351949	/nfs/dbraw/zinc/35/19/49/613351949.db2.gz	FTYVEMHSVQSQPJ-UHFFFAOYSA-N	-1	0	271.317	0.584	20	30		CCEDRM
C=C(C)COCCNC(=O)N1C[C@@H](F)C[C@H]1C(=O)[O-]	ZINC000797733272	613352031	/nfs/dbraw/zinc/35/20/31/613352031.db2.gz	YATVESFNJHVRAD-UWVGGRQHSA-N	-1	0	274.292	0.786	20	30		CCEDRM
C=C(C)COCCNC(=O)[C@]1(F)CCN(C(=O)[O-])C1	ZINC000823480396	613352182	/nfs/dbraw/zinc/35/21/82/613352182.db2.gz	AUZUJDWNJYJIAK-LBPRGKRZSA-N	-1	0	274.292	0.787	20	30		CCEDRM
C=C(C)CO[N-]C(=O)C(=O)Nc1c(OC)ccnc1OC	ZINC000890358589	613352348	/nfs/dbraw/zinc/35/23/48/613352348.db2.gz	WRTVDHVIEBIZNA-UHFFFAOYSA-N	-1	0	295.295	0.661	20	30		CCEDRM
C=C(C)CO[N-]C(=O)C(=O)Nc1cnn(CC)c1C	ZINC000873934665	613352387	/nfs/dbraw/zinc/35/23/87/613352387.db2.gz	QQURAEXIRIXJQF-UHFFFAOYSA-N	-1	0	266.301	0.774	20	30		CCEDRM
C=C(C)CO[N-]C(=O)Cn1cc([N+](=O)[O-])nc1C	ZINC000846540171	613352644	/nfs/dbraw/zinc/35/26/44/613352644.db2.gz	VFCHHWFXHWQWDV-UHFFFAOYSA-N	-1	0	254.246	0.724	20	30		CCEDRM
C=C(C)CO[N-]C(=O)Cn1cc([N+](=O)[O-])ccc1=O	ZINC000846539987	613352685	/nfs/dbraw/zinc/35/26/85/613352685.db2.gz	RGTGGVQPYOPZQA-UHFFFAOYSA-N	-1	0	267.241	0.380	20	30		CCEDRM
C=C(C)CS(=O)(=O)N[C@@H]1C[C@@H]2C[C@@H](C(=O)[O-])C[C@H]12	ZINC000903543178	613354205	/nfs/dbraw/zinc/35/42/05/613354205.db2.gz	RLFZURQOQFBTKE-ZRUFSTJUSA-N	-1	0	273.354	0.981	20	30		CCEDRM
C=C(C)C[C@@H](NC(C)=O)C(=O)[N-]OC[C@@H]1CCOC1	ZINC000834290199	613356457	/nfs/dbraw/zinc/35/64/57/613356457.db2.gz	JKONNGCMUCFWLI-VXGBXAGGSA-N	-1	0	270.329	0.542	20	30		CCEDRM
C=C(C)C[C@H](NC(=O)CCc1c[nH]cn1)C(=O)[O-]	ZINC000910292361	613358640	/nfs/dbraw/zinc/35/86/40/613358640.db2.gz	PEPDENBGGYGGGW-JTQLQIEISA-N	-1	0	251.286	0.878	20	30		CCEDRM
C=C(C)C[C@H](NC(=O)NC[C@H]1COCCO1)C(=O)[O-]	ZINC000864529723	613358790	/nfs/dbraw/zinc/35/87/90/613358790.db2.gz	YYAZQRVWDAYNNZ-UWVGGRQHSA-N	-1	0	272.301	0.120	20	30		CCEDRM
C=C(C)C[C@H](NC(C)=O)C(=O)[N-]OCCCOC	ZINC000854449659	613359372	/nfs/dbraw/zinc/35/93/72/613359372.db2.gz	OVLSNDCHIAYVHK-NSHDSACASA-N	-1	0	258.318	0.542	20	30		CCEDRM
C=C(Cl)CNC(=O)N1CCO[C@H]([C@@H](C)NC(=O)[O-])C1	ZINC000823486051	613383663	/nfs/dbraw/zinc/38/36/63/613383663.db2.gz	MYYUMQGABDEDKS-BDAKNGLRSA-N	-1	0	291.735	0.805	20	30		CCEDRM
C=C(Cl)C[C@@H](NC(=O)Cn1ccccc1=O)C(=O)[O-]	ZINC000864188324	613388588	/nfs/dbraw/zinc/38/85/88/613388588.db2.gz	HANDTIDCWCBOSO-SECBINFHSA-N	-1	0	284.699	0.560	20	30		CCEDRM
C=C(Cl)C[C@@H](NS(=O)(=O)C[C@H]1CCCO1)C(=O)[O-]	ZINC000863422050	613388687	/nfs/dbraw/zinc/38/86/87/613388687.db2.gz	ZFCYMDVYMLICRP-RKDXNWHRSA-N	-1	0	297.760	0.681	20	30		CCEDRM
C=C(Cl)C[C@@H](NS(=O)(=O)N(C)CC)C(=O)[O-]	ZINC000863420517	613388721	/nfs/dbraw/zinc/38/87/21/613388721.db2.gz	PEDZYXOCTPIWIK-SSDOTTSWSA-N	-1	0	270.738	0.368	20	30		CCEDRM
C=C(Cl)C[C@@H](NS(=O)(=O)c1c[nH]cn1)C(=O)[O-]	ZINC000863421228	613388814	/nfs/dbraw/zinc/38/88/14/613388814.db2.gz	PXQDSPTTWKSIKN-ZCFIWIBFSA-N	-1	0	279.705	0.284	20	30		CCEDRM
C=C(Cl)C[C@H](NC(=O)Cc1ccnn1C)C(=O)[O-]	ZINC000864187876	613390697	/nfs/dbraw/zinc/39/06/97/613390697.db2.gz	DACTZKANYUSKNW-VIFPVBQESA-N	-1	0	271.704	0.675	20	30		CCEDRM
C=C(Cl)C[C@H](NC(=O)NC[C@@H](C)OC)C(=O)[O-]	ZINC000864529305	613390739	/nfs/dbraw/zinc/39/07/39/613390739.db2.gz	GXQLLLQBUVVZKQ-SFYZADRCSA-N	-1	0	264.709	0.916	20	30		CCEDRM
C=C(Cl)C[C@H](NC(=O)[C@H]1CN(CC)CCO1)C(=O)[O-]	ZINC000910268399	613390767	/nfs/dbraw/zinc/39/07/67/613390767.db2.gz	YEBOMFOYEYKTLC-VHSXEESVSA-N	-1	0	290.747	0.419	20	30		CCEDRM
C=C(Cl)C[C@H](NS(=O)(=O)CC1CC1)C(=O)[O-]	ZINC000863421599	613390843	/nfs/dbraw/zinc/39/08/43/613390843.db2.gz	TWHGTNJBOJTHGQ-QMMMGPOBSA-N	-1	0	267.734	0.912	20	30		CCEDRM
C=CCSCCNC(=O)C(=O)NC[C@@H](CC)C(=O)[O-]	ZINC000927942102	613395117	/nfs/dbraw/zinc/39/51/17/613395117.db2.gz	XKKZVEVBCPPSOP-SECBINFHSA-N	-1	0	288.369	0.249	20	30		CCEDRM
C=CC[C@@H](CO)CNC(=O)c1ccc(-c2nn[nH]n2)s1	ZINC000823888094	613402482	/nfs/dbraw/zinc/40/24/82/613402482.db2.gz	FXHUGJNACUVQDB-MRVPVSSYSA-N	-1	0	293.352	0.843	20	30		CCEDRM
C=CC[C@@H](CO)CNS(=O)(=O)N=S(=O)(CC)CC	ZINC000867057369	613403218	/nfs/dbraw/zinc/40/32/18/613403218.db2.gz	NCCQJTPEPJNRAY-SNVBAGLBSA-N	-1	0	298.430	0.513	20	30		CCEDRM
C=CC[C@@H](CO)[N-]S(=O)(=O)N=S1(=O)CCCC1	ZINC000867100058	613405195	/nfs/dbraw/zinc/40/51/95/613405195.db2.gz	GCHGQOBLMKVNOT-VIFPVBQESA-N	-1	0	282.387	0.020	20	30		CCEDRM
C=CC[C@H](CO)CNC(=O)NC1CCN(C(=O)[O-])CC1	ZINC000833369679	613415074	/nfs/dbraw/zinc/41/50/74/613415074.db2.gz	CRXTWLCGPFLRII-JTQLQIEISA-N	-1	0	285.344	0.613	20	30		CCEDRM
C=C1CCN(C(=O)[C@@H]2C[C@H](O)CN2C(=O)[O-])CC1	ZINC000823486336	613415146	/nfs/dbraw/zinc/41/51/46/613415146.db2.gz	VMARSIGHCSGCEP-UWVGGRQHSA-N	-1	0	254.286	0.278	20	30		CCEDRM
C=CCn1cc(C(=O)N2CC[C@H](C(=O)[O-])[C@H]2C)nn1	ZINC000844155480	613426863	/nfs/dbraw/zinc/42/68/63/613426863.db2.gz	PDEUKJZYAPYMSY-BDAKNGLRSA-N	-1	0	264.285	0.399	20	30		CCEDRM
C=CCn1cc(C(=O)N[C@@H](CSC)C(=O)[O-])nn1	ZINC000910872267	613430118	/nfs/dbraw/zinc/43/01/18/613430118.db2.gz	RFUFYSYHTVOHQS-QMMMGPOBSA-N	-1	0	270.314	0.010	20	30		CCEDRM
C=CCn1cc(CNC(=O)[C@@H](CC)C(=O)[O-])nn1	ZINC000909850947	613435215	/nfs/dbraw/zinc/43/52/15/613435215.db2.gz	JLKSDIVHPHVBEV-SECBINFHSA-N	-1	0	252.274	0.191	20	30		CCEDRM
C=C[C@@H](C)O[N-]C(=O)COCC(=O)OC(C)(C)C	ZINC000846554556	613443712	/nfs/dbraw/zinc/44/37/12/613443712.db2.gz	LQIJVLHHQISILB-SECBINFHSA-N	-1	0	259.302	0.967	20	30		CCEDRM
C=C[C@@H](C)O[N-]C(=O)C(=NOC)c1csc(N)n1	ZINC000824233844	613442697	/nfs/dbraw/zinc/44/26/97/613442697.db2.gz	ZLUKDMZGAQHEGP-ZCFIWIBFSA-N	-1	0	270.314	0.698	20	30		CCEDRM
C=C[C@@H](C)O[N-]C(=O)C(=O)Nc1cccnc1OC	ZINC000846152021	613443208	/nfs/dbraw/zinc/44/32/08/613443208.db2.gz	LQKDVYGJMKDWBS-MRVPVSSYSA-N	-1	0	265.269	0.651	20	30		CCEDRM
C=C[C@@H](C)O[N-]C(=O)CN(C)Cc1nnc(C)n1C	ZINC000846551308	613443600	/nfs/dbraw/zinc/44/36/00/613443600.db2.gz	RRIUTLHTPPXFHD-SECBINFHSA-N	-1	0	267.333	0.178	20	30		CCEDRM
C=CC(C)(C)C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)[O-]	ZINC000910283804	613444499	/nfs/dbraw/zinc/44/44/99/613444499.db2.gz	WIIRGWPKTHYHEM-YUMQZZPRSA-N	-1	0	256.302	0.293	20	30		CCEDRM
CC(=O)N1CCO[C@H](C(=O)[N-]Oc2cccc(C#N)c2)C1	ZINC000828148381	613445015	/nfs/dbraw/zinc/44/50/15/613445015.db2.gz	PGPGMXWEUJHRQN-ZDUSSCGKSA-N	-1	0	289.291	0.216	20	30		CCEDRM
C=C[C@@H](CCC(=O)[O-])NS(=O)(=O)N(C)C(C)C	ZINC000837291541	613449140	/nfs/dbraw/zinc/44/91/40/613449140.db2.gz	KDHFGZKJGFDBPQ-VIFPVBQESA-N	-1	0	264.347	0.580	20	30		CCEDRM
C=C[C@@H](O)C(=O)N(C)[C@@H](Cc1ccccc1)C(=O)[O-]	ZINC000909640930	613449457	/nfs/dbraw/zinc/44/94/57/613449457.db2.gz	RWPZFQSLSCZJAI-NWDGAFQWSA-N	-1	0	263.293	0.688	20	30		CCEDRM
C=CC1(S(=O)(=O)[N-]C(=O)COCC2CC2)CC1	ZINC000870832721	613450377	/nfs/dbraw/zinc/45/03/77/613450377.db2.gz	DRBSENVWPGSJJY-UHFFFAOYSA-N	-1	0	259.327	0.578	20	30		CCEDRM
C=CC1(S(=O)(=O)[N-]C(=O)COCc2cccnc2)CC1	ZINC000870838288	613450896	/nfs/dbraw/zinc/45/08/96/613450896.db2.gz	SMLJRBDDFRILAK-UHFFFAOYSA-N	-1	0	296.348	0.763	20	30		CCEDRM
C=CC1(S(=O)(=O)[N-]C(=O)[C@H]2CCO[C@H](C)C2)CC1	ZINC000870836000	613451675	/nfs/dbraw/zinc/45/16/75/613451675.db2.gz	WKVSLJUHVJVQIO-ZJUUUORDSA-N	-1	0	273.354	0.966	20	30		CCEDRM
C=CC1(S(=O)(=O)[N-]C(=O)c2cccnc2OC)CC1	ZINC000870835113	613452003	/nfs/dbraw/zinc/45/20/03/613452003.db2.gz	CFZXBCDCGAGWAT-UHFFFAOYSA-N	-1	0	282.321	0.868	20	30		CCEDRM
C=CC1CCN(C(=O)[C@H]2CN(C(=O)[O-])CCO2)CC1	ZINC000823491616	613452614	/nfs/dbraw/zinc/45/26/14/613452614.db2.gz	YOQHUZRFZLSBCQ-LLVKDONJSA-N	-1	0	268.313	0.790	20	30		CCEDRM
C=CCC(C)(C)CNC(=O)Cn1[n-]cc2c(=O)ncnc1-2	ZINC000817457594	613452833	/nfs/dbraw/zinc/45/28/33/613452833.db2.gz	UVAXFYHLIIRCOG-UHFFFAOYSA-N	-1	0	289.339	0.790	20	30		CCEDRM
C=CCC(C)(C)C(=O)[N-]S(=O)(=O)C(COC)COC	ZINC000851502139	613452867	/nfs/dbraw/zinc/45/28/67/613452867.db2.gz	BJSVHDRYXDERAO-UHFFFAOYSA-N	-1	0	293.385	0.696	20	30		CCEDRM
C=CCC(C)(C)C(=O)[N-]S(=O)(=O)CC(=O)OC	ZINC000838798399	613453010	/nfs/dbraw/zinc/45/30/10/613453010.db2.gz	UROQPBOUSXXIRD-UHFFFAOYSA-N	-1	0	263.315	0.208	20	30		CCEDRM
C=CCC(C)(C)C(=O)[N-]S(=O)(=O)CCC(=O)OC	ZINC000842356424	613453053	/nfs/dbraw/zinc/45/30/53/613453053.db2.gz	WZJVOUQEKHSLHZ-UHFFFAOYSA-N	-1	0	277.342	0.598	20	30		CCEDRM
C=CCC(F)(F)C(=O)[N-]S(=O)(=O)[C@H]1CCCOC1	ZINC000816010125	613455159	/nfs/dbraw/zinc/45/51/59/613455159.db2.gz	WYTOABLSEZSRLA-QMMMGPOBSA-N	-1	0	283.296	0.823	20	30		CCEDRM
C=C[C@@H]1CCCCN1C(=O)C(=O)NC[C@H](CC)C(=O)[O-]	ZINC000927958929	613455943	/nfs/dbraw/zinc/45/59/43/613455943.db2.gz	FSFPQGITYJSWBE-WDEREUQCSA-N	-1	0	282.340	0.781	20	30		CCEDRM
C=CCC1(C(=O)[O-])CN(S(=O)(=O)N(C)CC2CC2)C1	ZINC000906006549	613457008	/nfs/dbraw/zinc/45/70/08/613457008.db2.gz	AJJGLGOAAFAKNE-UHFFFAOYSA-N	-1	0	288.369	0.536	20	30		CCEDRM
C=CCC1(S(=O)(=O)[N-]C(=O)CCc2ccncn2)CC1	ZINC000810983409	613460800	/nfs/dbraw/zinc/46/08/00/613460800.db2.gz	SUEYQTGKKOWWKI-UHFFFAOYSA-N	-1	0	295.364	0.964	20	30		CCEDRM
C=CCC1(S(=O)(=O)[N-]C(=O)c2cnnn2CC)CC1	ZINC000816089342	613461360	/nfs/dbraw/zinc/46/13/60/613461360.db2.gz	RZMZVIMRNILOQY-UHFFFAOYSA-N	-1	0	284.341	0.466	20	30		CCEDRM
C=CCC1(S(=O)(=O)[N-]C(=O)[C@@H]2CCN(C)C2=O)CC1	ZINC000810989087	613461370	/nfs/dbraw/zinc/46/13/70/613461370.db2.gz	ZSPDPDPVADCGJE-VIFPVBQESA-N	-1	0	286.353	0.019	20	30		CCEDRM
C=CCCC(=O)[N-]S(=O)(=O)c1c(C)cnn1C	ZINC000813991790	613463117	/nfs/dbraw/zinc/46/31/17/613463117.db2.gz	OVKCCPKCJZLMNU-UHFFFAOYSA-N	-1	0	257.315	0.500	20	30		CCEDRM
C=CCCC(C)(C)CNC(=O)C(=O)[N-]OCCOC	ZINC000875642577	613463903	/nfs/dbraw/zinc/46/39/03/613463903.db2.gz	OFZWWJXMCBBGFO-UHFFFAOYSA-N	-1	0	272.345	0.789	20	30		CCEDRM
C=CCCCC(=O)N1CCOC[C@H]1c1nnn[n-]1	ZINC000913495224	613464472	/nfs/dbraw/zinc/46/44/72/613464472.db2.gz	IJZCDLIVNHKFIN-VIFPVBQESA-N	-1	0	251.290	0.456	20	30		CCEDRM
C=CCCC[C@@H](N)C(=O)[N-]S(=O)(=O)[C@H]1CCCOC1	ZINC000901038408	613469989	/nfs/dbraw/zinc/46/99/89/613469989.db2.gz	FDAVNSNJJNDGHW-WDEREUQCSA-N	-1	0	290.385	0.295	20	30		CCEDRM
C=CCCC[C@@H](NC(=O)[C@@]1(O)CCOC1)C(=O)[O-]	ZINC000910916657	613471075	/nfs/dbraw/zinc/47/10/75/613471075.db2.gz	HSPDDRAIXGZOPV-BXKDBHETSA-N	-1	0	257.286	0.064	20	30		CCEDRM
C=CCCC[C@@H](NC(=O)c1cccn(C)c1=O)C(=O)[O-]	ZINC000910911228	613471530	/nfs/dbraw/zinc/47/15/30/613471530.db2.gz	DCERPZVXCYVRKC-LLVKDONJSA-N	-1	0	278.308	0.925	20	30		CCEDRM
C=CCCC[C@H](NC(=O)[C@@H](COC)OC)C(=O)[O-]	ZINC000910922496	613473901	/nfs/dbraw/zinc/47/39/01/613473901.db2.gz	KJQOCHPKUMNAEL-VHSXEESVSA-N	-1	0	259.302	0.574	20	30		CCEDRM
C=C[C@@](C)(O)C(=O)NC[C@H](Oc1ccc(F)cc1)C(=O)[O-]	ZINC000909388139	613478499	/nfs/dbraw/zinc/47/84/99/613478499.db2.gz	LWXGLTVOFOEAEJ-SMDDNHRTSA-N	-1	0	297.282	0.711	20	30		CCEDRM
C=C[C@H](C)O[N-]C(=O)C(=O)Nc1cc(C)nn1C	ZINC000846156127	613483692	/nfs/dbraw/zinc/48/36/92/613483692.db2.gz	YAHDLFDKSZQVFN-QMMMGPOBSA-N	-1	0	252.274	0.289	20	30		CCEDRM
C=C[C@H](C)O[N-]C(=O)C(=O)Nc1cncnc1N(C)C	ZINC000846154309	613483693	/nfs/dbraw/zinc/48/36/93/613483693.db2.gz	PQMMAJYMNUNUFQ-QMMMGPOBSA-N	-1	0	279.300	0.103	20	30		CCEDRM
C=C[C@H](C)O[N-]C(=O)C(=O)Nc1ccc(N(C)C)nc1	ZINC000846151764	613483736	/nfs/dbraw/zinc/48/37/36/613483736.db2.gz	GRYWZKHUZQBOLB-VIFPVBQESA-N	-1	0	278.312	0.708	20	30		CCEDRM
C=C[C@H](C)O[N-]C(=O)CNC(=O)COc1ccccc1	ZINC000846541938	613484293	/nfs/dbraw/zinc/48/42/93/613484293.db2.gz	QFPQJVOALUWTQJ-NSHDSACASA-N	-1	0	278.308	0.804	20	30		CCEDRM
C=C[C@H](C)O[N-]C(=O)Cn1nc2ccccn2c1=O	ZINC000846544633	613484487	/nfs/dbraw/zinc/48/44/87/613484487.db2.gz	RMKQPDUANAQBNU-VIFPVBQESA-N	-1	0	262.269	0.118	20	30		CCEDRM
C=C[C@H](O)C(=O)N[C@]1(C(=O)[O-])C[C@@H](OCC)C1(C)C	ZINC000909603815	613497778	/nfs/dbraw/zinc/49/77/78/613497778.db2.gz	UWUZKPQIDIKKSX-RWEMILLDSA-N	-1	0	271.313	0.308	20	30		CCEDRM
C=C[C@](C)(O)C(=O)N1CCC2(C[C@@H]2C(=O)[O-])CC1	ZINC000908652241	613506457	/nfs/dbraw/zinc/50/64/57/613506457.db2.gz	LXFUUZPREYXBDZ-SKDRFNHKSA-N	-1	0	253.298	0.637	20	30		CCEDRM
C=C[C@](C)(O)C(=O)[N-]OC[C@H](C)NC(=O)OC(C)(C)C	ZINC000857165747	613508362	/nfs/dbraw/zinc/50/83/62/613508362.db2.gz	AFXHMZNLPQNDOR-ZANVPECISA-N	-1	0	288.344	0.884	20	30		CCEDRM
CC#CCCNC(=O)N[C@H](C(=O)[O-])C1CCOCC1	ZINC000909032548	613522289	/nfs/dbraw/zinc/52/22/89/613522289.db2.gz	XJZJLXDTZLZORG-NSHDSACASA-N	-1	0	268.313	0.579	20	30		CCEDRM
C=CCCO[N-]C(=O)COc1c(C)occc1=O	ZINC000825557394	613576792	/nfs/dbraw/zinc/57/67/92/613576792.db2.gz	ZQDIOCXIEDGZRR-UHFFFAOYSA-N	-1	0	253.254	0.951	20	30		CCEDRM
C=CCCO[N-]C(=O)CS[C@@H]1CCS(=O)(=O)C1	ZINC000856029199	613576803	/nfs/dbraw/zinc/57/68/03/613576803.db2.gz	DASNXKGFWYITAQ-SECBINFHSA-N	-1	0	279.383	0.531	20	30		CCEDRM
C=CCCO[N-]C(=O)[C@H]1CCCCN1S(C)(=O)=O	ZINC000856029133	613577156	/nfs/dbraw/zinc/57/71/56/613577156.db2.gz	ASDYPIQMRVZXOT-SNVBAGLBSA-N	-1	0	276.358	0.424	20	30		CCEDRM
C=CCCO[C@@H](C)C(=O)N1CCO[C@](C)(C(=O)[O-])C1	ZINC000910321137	613578253	/nfs/dbraw/zinc/57/82/53/613578253.db2.gz	IZYHMYQLSIWCHY-GWCFXTLKSA-N	-1	0	271.313	0.670	20	30		CCEDRM
C=CCCS(=O)(=O)N1CC[C@H](OC)C[C@@H]1C(=O)[O-]	ZINC000833375060	613581056	/nfs/dbraw/zinc/58/10/56/613581056.db2.gz	UQWZCDDWARXTFZ-VHSXEESVSA-N	-1	0	277.342	0.456	20	30		CCEDRM
C=CCC[C@H](NC(=O)[C@@H]1CCn2ccnc2C1)C(=O)[O-]	ZINC000909713521	613590187	/nfs/dbraw/zinc/59/01/87/613590187.db2.gz	FTWGMMKJWMSODR-MNOVXSKESA-N	-1	0	277.324	0.981	20	30		CCEDRM
C=CCC[C@H](NC(=O)c1cn(C)nc1OC)C(=O)[O-]	ZINC000909716151	613590308	/nfs/dbraw/zinc/59/03/08/613590308.db2.gz	PWAZWUSFDYIBMY-VIFPVBQESA-N	-1	0	267.285	0.578	20	30		CCEDRM
C=CCC[C@H](NC(=O)c1cnn(CCOC)c1C)C(=O)[O-]	ZINC000909717297	613590363	/nfs/dbraw/zinc/59/03/63/613590363.db2.gz	YAGNGLSSDBRBSU-LBPRGKRZSA-N	-1	0	295.339	0.987	20	30		CCEDRM
C=CCC[C@H](NC(=O)c1cnnn1CC)C(=O)[O-]	ZINC000909712097	613590427	/nfs/dbraw/zinc/59/04/27/613590427.db2.gz	HNCHAWYYEHBFMM-QMMMGPOBSA-N	-1	0	252.274	0.447	20	30		CCEDRM
CC#CCS(=O)(=O)[N-]C(=O)[C@@H]1C[C@@H](C)O[C@H]1C	ZINC000870329380	613646629	/nfs/dbraw/zinc/64/66/29/613646629.db2.gz	DROBGOFGNIALAU-KXUCPTDWSA-N	-1	0	259.327	0.269	20	30		CCEDRM
C=CCN(C/C=C(\C)C(=O)[O-])[C@H]1CCS(=O)(=O)C1	ZINC000825682147	613641766	/nfs/dbraw/zinc/64/17/66/613641766.db2.gz	PNERCWFRRHJYKJ-INJWIWPUSA-N	-1	0	273.354	0.692	20	30		CCEDRM
C=CCN(CC(=O)[O-])C(=O)C[C@H](C)n1ccnc1	ZINC000846118417	613642645	/nfs/dbraw/zinc/64/26/45/613642645.db2.gz	PASCIPHZJYYNRN-JTQLQIEISA-N	-1	0	251.286	0.933	20	30		CCEDRM
C=CCN(CC(=O)[O-])C(=O)NCC(C)(C)N1CCOCC1	ZINC000908746751	613642696	/nfs/dbraw/zinc/64/26/96/613642696.db2.gz	DNXINECLFOIXRD-UHFFFAOYSA-N	-1	0	299.371	0.379	20	30		CCEDRM
C=CCN(CC(=O)[O-])C(=O)[C@@H](C)Oc1cccnc1	ZINC000909515199	613643367	/nfs/dbraw/zinc/64/33/67/613643367.db2.gz	REUUUANQQAYNHF-SNVBAGLBSA-N	-1	0	264.281	0.948	20	30		CCEDRM
C=CCN(CC(=O)[O-])C(=O)[C@H]1CCc2n[nH]cc2C1	ZINC000909515509	613643683	/nfs/dbraw/zinc/64/36/83/613643683.db2.gz	WAPGQDQZZHZYBP-VIFPVBQESA-N	-1	0	263.297	0.614	20	30		CCEDRM
CC#CCN[C@@H](C(=O)OC)c1ccc(-c2nn[nH]n2)cc1	ZINC000823943148	613645138	/nfs/dbraw/zinc/64/51/38/613645138.db2.gz	ORZHAKUUBKSDEK-GFCCVEGCSA-N	-1	0	285.307	0.694	20	30		CCEDRM
CC#CCS(=O)(=O)[N-]C(=O)COc1ccsc1	ZINC000810775484	613645825	/nfs/dbraw/zinc/64/58/25/613645825.db2.gz	IAMGPQWDMJDTJN-UHFFFAOYSA-N	-1	0	273.335	0.596	20	30		CCEDRM
CC#CCS(=O)(=O)[N-]C(=O)C[C@H](C)n1ccnc1	ZINC000845543552	613646114	/nfs/dbraw/zinc/64/61/14/613646114.db2.gz	BOSBCRCLTRPBHT-JTQLQIEISA-N	-1	0	269.326	0.304	20	30		CCEDRM
CC#CCS(=O)(=O)[N-]C(=O)Cc1ccccc1[N+](=O)[O-]	ZINC000810778558	613646143	/nfs/dbraw/zinc/64/61/43/613646143.db2.gz	DDLHTWUJVIVYEF-UHFFFAOYSA-N	-1	0	296.304	0.607	20	30		CCEDRM
CC#CCS(=O)(=O)[N-]C(=O)[C@H](C)C(C)(F)F	ZINC000816056129	613646967	/nfs/dbraw/zinc/64/69/67/613646967.db2.gz	GEJARBZNRHURFV-ZETCQYMHSA-N	-1	0	253.270	0.747	20	30		CCEDRM
CC#CCS(=O)(=O)[N-]C(=O)c1cc(C)c(C(=O)OC)o1	ZINC000860720638	613647406	/nfs/dbraw/zinc/64/74/06/613647406.db2.gz	IWUKIBTYXSDKHH-UHFFFAOYSA-N	-1	0	299.304	0.458	20	30		CCEDRM
CC#CCS(=O)(=O)[N-]C(=O)c1cc(C)sn1	ZINC000810774567	613647599	/nfs/dbraw/zinc/64/75/99/613647599.db2.gz	NXEBPKISVMUBPD-UHFFFAOYSA-N	-1	0	258.324	0.534	20	30		CCEDRM
CC#CCS(=O)(=O)[N-]C(=O)c1ccc(F)c(OC)c1	ZINC000810776099	613647634	/nfs/dbraw/zinc/64/76/34/613647634.db2.gz	FZIBGXMSANEFQP-UHFFFAOYSA-N	-1	0	285.296	0.917	20	30		CCEDRM
C=CCN(CC=C)C(=O)COC1CN(C(=O)[O-])C1	ZINC000823500393	613647660	/nfs/dbraw/zinc/64/76/60/613647660.db2.gz	DZMDPDTVTSQTCH-UHFFFAOYSA-N	-1	0	254.286	0.566	20	30		CCEDRM
CC#CCS(=O)(=O)[N-]C(=O)c1cnn(C(C)C)c1	ZINC000810772736	613648007	/nfs/dbraw/zinc/64/80/07/613648007.db2.gz	CLFHLJVXTRLNEV-UHFFFAOYSA-N	-1	0	269.326	0.547	20	30		CCEDRM
CC#CCS(=O)(=O)[N-]C(=O)c1cncc(OC(C)C)c1	ZINC000810778490	613648059	/nfs/dbraw/zinc/64/80/59/613648059.db2.gz	APJNDYBSDPUQAR-UHFFFAOYSA-N	-1	0	296.348	0.952	20	30		CCEDRM
CC#CC[C@H](NC(=O)OC[C@@H]1CCCO1)C(=O)[O-]	ZINC000926462835	613652923	/nfs/dbraw/zinc/65/29/23/613652923.db2.gz	DGYILNFLZNAKJO-UWVGGRQHSA-N	-1	0	255.270	0.758	20	30		CCEDRM
CC(=NNCC(=O)[O-])c1ccc(OCC(=O)N(C)C)cc1	ZINC000814961015	613654596	/nfs/dbraw/zinc/65/45/96/613654596.db2.gz	WCUOHGUEWYPWDV-UHFFFAOYSA-N	-1	0	293.323	0.552	20	30		CCEDRM
CC(=NNCCC(=O)[O-])c1cccc(-n2cnnn2)c1	ZINC000819726616	613655015	/nfs/dbraw/zinc/65/50/15/613655015.db2.gz	LSSRQUFKVFRAMA-UHFFFAOYSA-N	-1	0	274.284	0.451	20	30		CCEDRM
CC(=NNC[C@@H](C)O)c1cc([N+](=O)[O-])ccc1[O-]	ZINC000814961775	613655541	/nfs/dbraw/zinc/65/55/41/613655541.db2.gz	RSYMIDMBLIAXDD-SSDOTTSWSA-N	-1	0	253.258	0.995	20	30		CCEDRM
CC(=NNc1[n-]cnc2ncnc1-2)c1nccn1C	ZINC000755662875	613657433	/nfs/dbraw/zinc/65/74/33/613657433.db2.gz	VIDLOVKZLWLORP-UHFFFAOYSA-N	-1	0	256.273	0.923	20	30		CCEDRM
C=CCNC(=O)CNC(=O)Nc1cc(C(=O)[O-])n(C)c1	ZINC000833377391	613846513	/nfs/dbraw/zinc/84/65/13/613846513.db2.gz	VCCMNPPJQSNVDW-UHFFFAOYSA-N	-1	0	280.284	0.147	20	30		CCEDRM
C=CCNC(=O)COC(=O)Cc1ccccc1C(=O)[O-]	ZINC000833376897	613847909	/nfs/dbraw/zinc/84/79/09/613847909.db2.gz	VBAHXTCEZJQTQP-UHFFFAOYSA-N	-1	0	277.276	0.773	20	30		CCEDRM
C=CCNC(=O)C(C#N)=C([O-])c1ncn(-c2ccccc2)n1	ZINC000131215582	613852917	/nfs/dbraw/zinc/85/29/17/613852917.db2.gz	IVTAIBALRKWYPK-LBPRGKRZSA-N	-1	0	295.302	0.892	20	30		CCEDRM
C=CCNC(=O)C(C#N)=C([O-])c1ncc2n1CCCC2	ZINC000870140434	613852964	/nfs/dbraw/zinc/85/29/64/613852964.db2.gz	HVZCFLQMZBUJPM-NSHDSACASA-N	-1	0	272.308	0.844	20	30		CCEDRM
C=CCNC(=O)[C@H](C#N)C(=O)[C@H]1CC[C@H](NC(=O)[O-])C1	ZINC000823505996	613854810	/nfs/dbraw/zinc/85/48/10/613854810.db2.gz	APWPCFGQHHXWHP-LPEHRKFASA-N	-1	0	279.296	0.434	20	30		CCEDRM
C=CCNC(=O)[C@H](C#N)C(=O)[C@H]1CC[C@@H](NC(=O)[O-])C1	ZINC000823505994	613854818	/nfs/dbraw/zinc/85/48/18/613854818.db2.gz	APWPCFGQHHXWHP-IVZWLZJFSA-N	-1	0	279.296	0.434	20	30		CCEDRM
C=CCNC(=O)C(C#N)=C([O-])c1ccc(NC(N)=O)cc1	ZINC000916918651	613854915	/nfs/dbraw/zinc/85/49/15/613854915.db2.gz	OTWNKIFVPRMYNN-LLVKDONJSA-N	-1	0	286.291	0.802	20	30		CCEDRM
C=CCOCC(=O)N(C)CC(C)(C)CNC(=O)[O-]	ZINC000823516954	613879083	/nfs/dbraw/zinc/87/90/83/613879083.db2.gz	ZLLHINBTQPGOAV-UHFFFAOYSA-N	-1	0	258.318	0.941	20	30		CCEDRM
C=CCOCC(=O)N[C@@H](C[C@@H]1CCCOC1)C(=O)[O-]	ZINC000910235046	613879438	/nfs/dbraw/zinc/87/94/38/613879438.db2.gz	BGSZDHOHSOPFKR-QWRGUYRKSA-N	-1	0	271.313	0.575	20	30		CCEDRM
C=CCOCC(=O)N[C@H](C(=O)[O-])c1cccnc1	ZINC000910982516	613879474	/nfs/dbraw/zinc/87/94/74/613879474.db2.gz	KNDNFYXJNUMMJM-NSHDSACASA-N	-1	0	250.254	0.526	20	30		CCEDRM
C=CCOCC(=O)N[C@H](C(=O)[O-])C1CCOCC1	ZINC000910016448	613879486	/nfs/dbraw/zinc/87/94/86/613879486.db2.gz	UWSQOZDDYKMSQE-NSHDSACASA-N	-1	0	257.286	0.185	20	30		CCEDRM
C=CCOCCCNS(=O)(=O)C1(C(=O)[O-])CCC1	ZINC000905038466	613880356	/nfs/dbraw/zinc/88/03/56/613880356.db2.gz	XGGBEILZZZSRTC-UHFFFAOYSA-N	-1	0	277.342	0.506	20	30		CCEDRM
C=CCOC[C@@H](NC(=O)C1(CC)CCOCC1)C(=O)[O-]	ZINC000909769706	613881548	/nfs/dbraw/zinc/88/15/48/613881548.db2.gz	FOXLUUOVAHGPOX-LLVKDONJSA-N	-1	0	285.340	0.965	20	30		CCEDRM
C=CCOC[C@@H](NC(=O)[C@H](C)Oc1cccnc1)C(=O)[O-]	ZINC000909771756	613881828	/nfs/dbraw/zinc/88/18/28/613881828.db2.gz	POZGUYRVLCKHSP-CMPLNLGQSA-N	-1	0	294.307	0.621	20	30		CCEDRM
C=CCOC[C@@H](NC(=O)[C@]1(C)CCOC1)C(=O)[O-]	ZINC000909772890	613881868	/nfs/dbraw/zinc/88/18/68/613881868.db2.gz	XRDPIWUKKMBQEV-BXKDBHETSA-N	-1	0	257.286	0.185	20	30		CCEDRM
C=CCOC[C@H](NC(=O)NCC1=CCCOC1)C(=O)[O-]	ZINC000909226389	613882318	/nfs/dbraw/zinc/88/23/18/613882318.db2.gz	VZDBEHMEZUFMPF-NSHDSACASA-N	-1	0	284.312	0.288	20	30		CCEDRM
C=CCOC[C@H](NC(=O)COC(C)(C)CC)C(=O)[O-]	ZINC000909766667	613882367	/nfs/dbraw/zinc/88/23/67/613882367.db2.gz	JYPAFDUDHVGSGB-JTQLQIEISA-N	-1	0	273.329	0.964	20	30		CCEDRM
C=CCOC[C@H](NC(=O)[C@@H]1CCC(=O)[C@@H](C)C1)C(=O)[O-]	ZINC000909771284	613882438	/nfs/dbraw/zinc/88/24/38/613882438.db2.gz	MCRRKBQGPNKKDN-AXFHLTTASA-N	-1	0	283.324	0.764	20	30		CCEDRM
C=CCOC[C@H](NC(=O)N[C@H](C)c1cnn(C)c1)C(=O)[O-]	ZINC000797718368	613882439	/nfs/dbraw/zinc/88/24/39/613882439.db2.gz	DUPYBTKJFKNYPG-KOLCDFICSA-N	-1	0	296.327	0.436	20	30		CCEDRM
C=CCOC[C@H](NC(=O)c1c(C)ccn1C)C(=O)[O-]	ZINC000909771288	613882716	/nfs/dbraw/zinc/88/27/16/613882716.db2.gz	MEBSSJKGHXAQAO-JTQLQIEISA-N	-1	0	266.297	0.719	20	30		CCEDRM
C=CCO[N-]C(=O)C(=O)Nc1ccc2c(c1)N(C)CC2	ZINC000835969919	613883016	/nfs/dbraw/zinc/88/30/16/613883016.db2.gz	LFURBNZSABTPAU-UHFFFAOYSA-N	-1	0	275.308	0.851	20	30		CCEDRM
C=CCO[N-]C(=O)C1(n2cnnn2)CCCCC1	ZINC000846249460	613883109	/nfs/dbraw/zinc/88/31/09/613883109.db2.gz	PNCZNEOLNMGRBF-UHFFFAOYSA-N	-1	0	251.290	0.566	20	30		CCEDRM
C=CCO[N-]C(=O)[C@H](C)NS(=O)(=O)c1cccs1	ZINC000837043452	613884593	/nfs/dbraw/zinc/88/45/93/613884593.db2.gz	BZTFIPNHKPFJFA-QMMMGPOBSA-N	-1	0	290.366	0.649	20	30		CCEDRM
C=CCS(=O)(=O)CCNC(=O)CC(C)(C)CC(=O)[O-]	ZINC000833377910	613885089	/nfs/dbraw/zinc/88/50/89/613885089.db2.gz	DUNYKKNMRMACBZ-UHFFFAOYSA-N	-1	0	291.369	0.594	20	30		CCEDRM
C=CCS(=O)(=O)CCNC(=O)c1ccc(C(=O)[O-])nc1	ZINC000833377897	613885507	/nfs/dbraw/zinc/88/55/07/613885507.db2.gz	DIZICRWQXWHGSA-UHFFFAOYSA-N	-1	0	298.320	0.110	20	30		CCEDRM
C=CCS(=O)(=O)[N-]C(=O)CCc1ccncn1	ZINC000755843703	613886166	/nfs/dbraw/zinc/88/61/66/613886166.db2.gz	SJXUXMJZTULBCC-UHFFFAOYSA-N	-1	0	255.299	0.041	20	30		CCEDRM
CC(C)(C)C[C@@H](O)CNC(=O)[C@](C)(C#N)CC(=O)[O-]	ZINC000819908860	613920089	/nfs/dbraw/zinc/92/00/89/613920089.db2.gz	VHJFFVJXSICIQC-RNCFNFMXSA-N	-1	0	270.329	0.904	20	30		CCEDRM
CC(C)(C)n1nnc(CN=Nc2ccc(C(=O)[O-])nc2)n1	ZINC000853354340	614068782	/nfs/dbraw/zinc/06/87/82/614068782.db2.gz	FLLVCPBTDNFTKE-UHFFFAOYSA-N	-1	0	289.299	0.967	20	30		CCEDRM
CC(C)(CC(=O)N1CCOC[C@H]1C#N)NC(=O)[O-]	ZINC000823882365	614077489	/nfs/dbraw/zinc/07/74/89/614077489.db2.gz	SQZBUODCWYOBKH-MRVPVSSYSA-N	-1	0	255.274	0.174	20	30		CCEDRM
CC(C)COCCC(=O)N1CCN(C(=O)[O-])C[C@@H]1C#N	ZINC000824277477	614161989	/nfs/dbraw/zinc/16/19/89/614161989.db2.gz	WQEXODXDINUOAL-NSHDSACASA-N	-1	0	283.328	0.763	20	30		CCEDRM
CC(=O)Nc1ccccc1C=Nn1c(=O)[n-][nH]c1=O	ZINC000814231550	614206237	/nfs/dbraw/zinc/20/62/37/614206237.db2.gz	ILQVLRBVNBOWLA-UHFFFAOYSA-N	-1	0	261.241	0.530	20	30		CCEDRM
CC(C)Cn1[n-]c(CC(=O)NC2=NO[C@@H](C)C2)cc1=O	ZINC000935136470	614235692	/nfs/dbraw/zinc/23/56/92/614235692.db2.gz	FFHPEOCISFMZTD-VIFPVBQESA-N	-1	0	280.328	0.613	20	30		CCEDRM
CC(C)Cn1[n-]c(CC(=O)N[C@H](C#N)C2CC2)cc1=O	ZINC000932378054	614236930	/nfs/dbraw/zinc/23/69/30/614236930.db2.gz	KSASRRRFCACFDC-GFCCVEGCSA-N	-1	0	276.340	0.793	20	30		CCEDRM
CC(C)[C@](C)(C#N)NC(=O)CN1CCO[C@@H](CC(=O)[O-])C1	ZINC000826676830	614285904	/nfs/dbraw/zinc/28/59/04/614285904.db2.gz	KWWNGCXHHRPXEM-FZMZJTMJSA-N	-1	0	297.355	0.216	20	30		CCEDRM
CC(C)(C#N)CS(=O)(=O)N1CCC[C@@]1(C)C(=O)[O-]	ZINC000899934187	614286341	/nfs/dbraw/zinc/28/63/41/614286341.db2.gz	CKQCJSIVCKOYSA-NSHDSACASA-N	-1	0	274.342	0.805	20	30		CCEDRM
CC(C)(C#N)CS(=O)(=O)[N-]C(=O)/C=C/[C@@H]1CCCO1	ZINC000820509355	614286755	/nfs/dbraw/zinc/28/67/55/614286755.db2.gz	KAVGOBKEGABJCT-PORFMDCZSA-N	-1	0	286.353	0.717	20	30		CCEDRM
CCC[C@H](OCC)C(=O)[N-]S(=O)(=O)CCC#N	ZINC000860753535	614435048	/nfs/dbraw/zinc/43/50/48/614435048.db2.gz	ZMSNWROYKVRINI-VIFPVBQESA-N	-1	0	262.331	0.551	20	30		CCEDRM
CCC(C)(C)NC(=O)COC(=O)[C@@](C)(C#N)CC(=O)[O-]	ZINC000820261445	614501484	/nfs/dbraw/zinc/50/14/84/614501484.db2.gz	LMECAHKLXLEXDK-CYBMUJFWSA-N	-1	0	284.312	0.839	20	30		CCEDRM
CCCN(CC(=O)[O-])C(=O)Cc1ccc(C#N)nc1	ZINC000901491660	614559113	/nfs/dbraw/zinc/55/91/13/614559113.db2.gz	PXIVCEKHQZDRDM-UHFFFAOYSA-N	-1	0	261.281	0.819	20	30		CCEDRM
CCCNC(=O)CCC(=O)N1CCN(C(=O)[O-])C[C@@H]1C#N	ZINC000826920159	614840824	/nfs/dbraw/zinc/84/08/24/614840824.db2.gz	FBYULWMWHKKTHV-JTQLQIEISA-N	-1	0	296.327	0.007	20	30		CCEDRM
CCCCCNC(=O)C(C#N)=C([O-])c1c[nH]c(C(N)=O)c1	ZINC000917424500	614923056	/nfs/dbraw/zinc/92/30/56/614923056.db2.gz	DGLRUTDJKPLGEE-JTQLQIEISA-N	-1	0	290.323	0.742	20	30		CCEDRM
CC1CC(C#N)(C(=O)N2CCO[C@](C)(C(=O)[O-])C2)C1	ZINC000923099781	615011208	/nfs/dbraw/zinc/01/12/08/615011208.db2.gz	FVTPIWHMAQZAKK-YHECAPGISA-N	-1	0	266.297	0.628	20	30		CCEDRM
CCN(CCC#N)C(=O)COC(=O)C1(NC(=O)[O-])CC1	ZINC000827112173	615022553	/nfs/dbraw/zinc/02/25/53/615022553.db2.gz	XPUVXPSXJFGOQD-UHFFFAOYSA-N	-1	0	283.284	0.092	20	30		CCEDRM
CCC[C@H](C#N)NC(=O)C[C@H]1CN(C(=O)[O-])CCO1	ZINC000826706121	615033365	/nfs/dbraw/zinc/03/33/65/615033365.db2.gz	MIUNQSJFLVFBSS-ZJUUUORDSA-N	-1	0	269.301	0.564	20	30		CCEDRM
CCN(C[C@H](C)C#N)C(=O)CN(CC(=O)[O-])C(C)C	ZINC000820332927	615064264	/nfs/dbraw/zinc/06/42/64/615064264.db2.gz	NCVSAAQZQJCYTL-LLVKDONJSA-N	-1	0	269.345	0.790	20	30		CCEDRM
CCN1c2ccccc2C(=N[N-]c2nc[nH]n2)C1=O	ZINC000807997922	615078491	/nfs/dbraw/zinc/07/84/91/615078491.db2.gz	IGQFANHNEIBQTK-UHFFFAOYSA-N	-1	0	256.269	0.987	20	30		CCEDRM
CCOC(=O)c1nc(CN(CC#N)CC(=O)[O-])cs1	ZINC000829890537	615194098	/nfs/dbraw/zinc/19/40/98/615194098.db2.gz	XSUBBZUCKXJQJB-UHFFFAOYSA-N	-1	0	283.309	0.730	20	30		CCEDRM
CCOCCS(=O)(=O)[N-]C(=O)C(C#N)(CC)CC	ZINC000860537055	615296488	/nfs/dbraw/zinc/29/64/88/615296488.db2.gz	HAYHFIXUYJEOCN-UHFFFAOYSA-N	-1	0	276.358	0.799	20	30		CCEDRM
CCO[N-]C(=O)C(=O)Nc1cc(OC)c(C#N)cc1F	ZINC000861832500	615355368	/nfs/dbraw/zinc/35/53/68/615355368.db2.gz	VZLOQDALMRRPSG-UHFFFAOYSA-N	-1	0	281.243	0.712	20	30		CCEDRM
CCO[N-]C(=O)CNC(=O)CCc1ccc(C#N)cc1	ZINC000846497329	615357258	/nfs/dbraw/zinc/35/72/58/615357258.db2.gz	ARUQHIXTNZFCJK-UHFFFAOYSA-N	-1	0	275.308	0.675	20	30		CCEDRM
CCO[N-]C(=O)CNS(=O)(=O)c1cccc(CC#N)c1	ZINC000846003283	615375674	/nfs/dbraw/zinc/37/56/74/615375674.db2.gz	VFDRQIPSVJBQBP-UHFFFAOYSA-N	-1	0	297.336	0.099	20	30		CCEDRM
CCO[N-]C(=O)CNc1ccc(C(=O)OC)nc1C#N	ZINC000848736447	615376778	/nfs/dbraw/zinc/37/67/78/615376778.db2.gz	MGOWYANBJOYGIX-UHFFFAOYSA-N	-1	0	278.268	0.219	20	30		CCEDRM
CCO[N-]C(=O)CNc1nc2c(cc1C#N)CCC2	ZINC000845716551	615377294	/nfs/dbraw/zinc/37/72/94/615377294.db2.gz	WHUOMOWDYXHTTM-UHFFFAOYSA-N	-1	0	260.297	0.922	20	30		CCEDRM
CC[C@@]1(C)NC(=O)N([N-]C(=O)c2ccc(C#N)o2)C1=O	ZINC000816543172	615598266	/nfs/dbraw/zinc/59/82/66/615598266.db2.gz	QEPMYJTZOKNZFE-GFCCVEGCSA-N	-1	0	276.252	0.517	20	30		CCEDRM
CCn1ncn(N=Cc2cc(F)c([O-])c(F)c2)c1=O	ZINC000814233992	615729320	/nfs/dbraw/zinc/72/93/20/615729320.db2.gz	DDVHCTJIHDYCDT-UHFFFAOYSA-N	-1	0	268.223	0.931	20	30		CCEDRM
CC[C@H](NC(=O)[O-])C(=O)NCC1CCN(CC#N)CC1	ZINC000827523934	615804623	/nfs/dbraw/zinc/80/46/23/615804623.db2.gz	ASMYCFYFNFZQFB-NSHDSACASA-N	-1	0	282.344	0.384	20	30		CCEDRM
CN(C(=O)c1cc(C(=O)[O-])nn1C)[C@H]1CCC[C@@H]1C#N	ZINC000864056942	615893964	/nfs/dbraw/zinc/89/39/64/615893964.db2.gz	FTEHBPCHYKBCSW-SCZZXKLOSA-N	-1	0	276.296	0.883	20	30		CCEDRM
CCn1[n-]nnc1=NC(=O)N1CCC[C@](C)(C#N)C1	ZINC000888331239	615911997	/nfs/dbraw/zinc/91/19/97/615911997.db2.gz	HYGNWDQMJIFTNV-LLVKDONJSA-N	-1	0	263.305	0.272	20	30		CCEDRM
CC[S@](C)(=O)=NS(=O)(=O)[N-][C@@H](C#N)CC(C)C	ZINC000906061055	616021743	/nfs/dbraw/zinc/02/17/43/616021743.db2.gz	NUGGSRWWGTXRIR-ABKXIKBNSA-N	-1	0	281.403	0.877	20	30		CCEDRM
CN(CC#N)C[C@H](O)[C@H](Cc1ccccc1)NC(=O)[O-]	ZINC000828085660	616039883	/nfs/dbraw/zinc/03/98/83/616039883.db2.gz	IPKNHIFIOUCLAI-STQMWFEESA-N	-1	0	277.324	0.682	20	30		CCEDRM
CN(CC(=O)[O-])C(=O)Cc1cccc(OCC#N)c1	ZINC000820562221	616049697	/nfs/dbraw/zinc/04/96/97/616049697.db2.gz	CGSRUJKOXKOMSY-UHFFFAOYSA-N	-1	0	262.265	0.674	20	30		CCEDRM
CN(CCC(=O)[O-])C(=O)NCCNc1ccc(C#N)cn1	ZINC000818432270	616068767	/nfs/dbraw/zinc/06/87/67/616068767.db2.gz	LILHZQPZCNIWEW-UHFFFAOYSA-N	-1	0	291.311	0.481	20	30		CCEDRM
CN(CCNC(=O)Nc1nn(C)cc1C#N)C(=O)[O-]	ZINC000828330013	616093352	/nfs/dbraw/zinc/09/33/52/616093352.db2.gz	RQSGTEIOYBNBHG-UHFFFAOYSA-N	-1	0	266.261	0.023	20	30		CCEDRM
CN(C[C@@H](O)C(F)(F)F)C(=O)[C@](C)(C#N)CC(=O)[O-]	ZINC000820574304	616130557	/nfs/dbraw/zinc/13/05/57/616130557.db2.gz	OLONKYDEJLPJGN-MUWHJKNJSA-N	-1	0	282.218	0.373	20	30		CCEDRM
CN1CCC[C@@H](N[C@@H](C(=O)[O-])c2ccc(C#N)cc2)C1=O	ZINC000830935330	616190969	/nfs/dbraw/zinc/19/09/69/616190969.db2.gz	WFWBMLACQIJHCF-CHWSQXEVSA-N	-1	0	287.319	0.894	20	30		CCEDRM
CN1CCN(N=C2C(=O)Nc3cc([O-])c(Cl)cc32)CC1	ZINC000853256102	616246298	/nfs/dbraw/zinc/24/62/98/616246298.db2.gz	MSRBGZYOSBNSTA-UHFFFAOYSA-N	-1	0	294.742	0.949	20	30		CCEDRM
COC(=O)[C@H](C)CCN=Nc1nnc(C)c(=O)[n-]1	ZINC000814215825	616573536	/nfs/dbraw/zinc/57/35/36/616573536.db2.gz	VBPDQYOGMPWWMP-ZCFIWIBFSA-N	-1	0	253.262	0.483	20	30		CCEDRM
COC(=O)CN(CC#N)Cc1cc(C)c(C(=O)[O-])o1	ZINC000831164406	616588456	/nfs/dbraw/zinc/58/84/56/616588456.db2.gz	NMZDVTPJPFLOBT-UHFFFAOYSA-N	-1	0	266.253	0.785	20	30		CCEDRM
COC[C@H](C)S(=O)(=O)[N-]C(=O)c1ccc(C)c(C#N)c1	ZINC000799611730	616630308	/nfs/dbraw/zinc/63/03/08/616630308.db2.gz	ZIDXPCGKLHDKII-JTQLQIEISA-N	-1	0	296.348	0.961	20	30		CCEDRM
COC(=O)Cc1c(C)[n-]n(-c2ccc(C#N)cn2)c1=O	ZINC000887295136	616652638	/nfs/dbraw/zinc/65/26/38/616652638.db2.gz	YENZOOSHDHFHTF-JTQLQIEISA-N	-1	0	272.264	0.855	20	30		CCEDRM
COC[C@](C)(C#N)NC(=O)c1cccc(C(=O)[O-])n1	ZINC000831541296	616817578	/nfs/dbraw/zinc/81/75/78/616817578.db2.gz	RQPROJLENCXFTK-LBPRGKRZSA-N	-1	0	263.253	0.438	20	30		CCEDRM
COC[C@](C)(NC(=O)c1cc(C#N)cs1)C(=O)[O-]	ZINC000831612497	616831714	/nfs/dbraw/zinc/83/17/14/616831714.db2.gz	BYKJTBYCGIROHP-NSHDSACASA-N	-1	0	268.294	0.839	20	30		CCEDRM
COC[C@@H](C)S(=O)(=O)N1CCC[C@@H](C#CC(=O)[O-])C1	ZINC000899926547	616837231	/nfs/dbraw/zinc/83/72/31/616837231.db2.gz	NLSRQQAWLKLSOS-MNOVXSKESA-N	-1	0	289.353	0.151	20	30		CCEDRM
CO[C@@](C)(C(=O)[O-])C(=O)N[C@@H]1Cc2ccc(C#N)cc2C1	ZINC000902545983	616900610	/nfs/dbraw/zinc/90/06/10/616900610.db2.gz	OMEZMCHSXJOZLK-IUODEOHRSA-N	-1	0	288.303	0.631	20	30		CCEDRM
CNC(=S)NN=C(C)c1cccc(OCC(=O)[O-])c1	ZINC000916265002	616931105	/nfs/dbraw/zinc/93/11/05/616931105.db2.gz	FMRGPQFFXIYNEH-UHFFFAOYSA-N	-1	0	281.337	0.968	20	30		CCEDRM
COC[C@@](C)(C#N)NC(=O)CC1CN(C(=O)[O-])C1	ZINC000828885377	617011261	/nfs/dbraw/zinc/01/12/61/617011261.db2.gz	CXGSKTGUDXQUQE-LLVKDONJSA-N	-1	0	255.274	0.031	20	30		CCEDRM
COC[C@@](C)(C#N)NC(=O)[C@]1(F)CCN(C(=O)[O-])C1	ZINC000828886836	617011436	/nfs/dbraw/zinc/01/14/36/617011436.db2.gz	XOXHWDWDADOBCR-MNOVXSKESA-N	-1	0	273.264	0.123	20	30		CCEDRM
COC[C@@](C)(NC(=O)[C@@H](O)c1ccc(C#N)cc1)C(=O)[O-]	ZINC000833720536	617022037	/nfs/dbraw/zinc/02/20/37/617022037.db2.gz	ATOWXHHVGDJUKY-SMDDNHRTSA-N	-1	0	292.291	0.198	20	30		CCEDRM
CO[C@@H](C(=O)[N-]S(=O)(=O)CCCC#N)C1CCCC1	ZINC000850926998	617126766	/nfs/dbraw/zinc/12/67/66/617126766.db2.gz	WMRVCCHLEABVMM-LLVKDONJSA-N	-1	0	288.369	0.941	20	30		CCEDRM
CO[C@@H](C)CS(=O)(=O)[N-]C(=O)c1cc(C)c(C#N)cn1	ZINC000838869520	617159475	/nfs/dbraw/zinc/15/94/75/617159475.db2.gz	PKSXRZVCMWBFIJ-VIFPVBQESA-N	-1	0	297.336	0.356	20	30		CCEDRM
CO[C@@H](CS(=O)(=O)[N-]c1nn(C)c(C)c1C#N)C1CC1	ZINC000886412482	617170664	/nfs/dbraw/zinc/17/06/64/617170664.db2.gz	IKDZPCOERPDWGI-NSHDSACASA-N	-1	0	298.368	0.767	20	30		CCEDRM
C#C[C@@H](C)NS(=O)(=O)c1ccc(CC(=O)[O-])cc1	ZINC000122975881	625418719	/nfs/dbraw/zinc/41/87/19/625418719.db2.gz	OVRGQNHHHFTSHY-SECBINFHSA-N	-1	0	267.306	0.614	20	30		CCEDRM
Cn1nc2c(c1C([O-])=C(C#N)C(=O)NC1CC1)CCCC2	ZINC000892497096	623373965	/nfs/dbraw/zinc/37/39/65/623373965.db2.gz	WIPWGISZZSKEGX-LLVKDONJSA-N	-1	0	286.335	0.900	20	30		CCEDRM
C#CCCCNC(=O)N1CCSC[C@@H]1C(=O)[O-]	ZINC000229853731	623568204	/nfs/dbraw/zinc/56/82/04/623568204.db2.gz	RFUDIUUQEJOKDZ-SECBINFHSA-N	-1	0	256.327	0.611	20	30		CCEDRM
C#Cc1ccc(CNC(=O)N2CCO[C@@H](C(=O)[O-])C2)cc1	ZINC000840991323	624633909	/nfs/dbraw/zinc/63/39/09/624633909.db2.gz	BJUKWNNSHLEHRL-CYBMUJFWSA-N	-1	0	288.303	0.663	20	30		CCEDRM
C=C[C@](C)(CCOC)C(=O)[N-]S(=O)(=O)N1CCCC1	ZINC000187582750	624918756	/nfs/dbraw/zinc/91/87/56/624918756.db2.gz	VJZLDIRQLQYXJU-GFCCVEGCSA-N	-1	0	290.385	0.672	20	30		CCEDRM
Cc1n[nH]c(C(=O)NC[C@@H]2CCCN2CC#N)c1[O-]	ZINC001027830073	630955440	/nfs/dbraw/zinc/95/54/40/630955440.db2.gz	QTERQVZVEFRWRS-VIFPVBQESA-N	-1	0	263.301	0.142	20	30		CCEDRM
N#Cc1cc(F)c(C=Nn2c(=O)[n-][nH]c2=O)c(F)c1	ZINC000814231577	631593626	/nfs/dbraw/zinc/59/36/26/631593626.db2.gz	JKUZACREQCMURR-UHFFFAOYSA-N	-1	0	265.179	0.721	20	30		CCEDRM
CC[C@@H](C)C(=O)[N-]S(=O)(=O)c1cc(C(N)=O)n(C)c1	ZINC000048518744	631729161	/nfs/dbraw/zinc/72/91/61/631729161.db2.gz	OAESUUMTIPZPPV-SSDOTTSWSA-N	-1	0	287.341	0.815	20	30		CCEDRM
CC#CCCCC(=O)[N-]S(=O)(=O)C[C@@H]1CCCO1	ZINC000183763530	631935095	/nfs/dbraw/zinc/93/50/95/631935095.db2.gz	YLVNDHKUJHCNBL-NSHDSACASA-N	-1	0	273.354	0.805	20	30		CCEDRM
N#CC1(CS(=O)(=O)N2C[C@@H]3CC[C@]3(C(=O)[O-])C2)CC1	ZINC000899951252	633928978	/nfs/dbraw/zinc/92/89/78/633928978.db2.gz	UHIJLIJSWICWNO-CABZTGNLSA-N	-1	0	284.337	0.417	20	30		CCEDRM
Cn1nc(C(=O)[O-])cc1C=NN[C@H]1CCOC1(C)C	ZINC000901248625	634214261	/nfs/dbraw/zinc/21/42/61/634214261.db2.gz	DNNMBBBPXYJXJK-JTQLQIEISA-N	-1	0	266.301	0.609	20	30		CCEDRM
C[C@H](NN=Cc1cc(C(=O)[O-])nn1C)C(F)(F)F	ZINC000901249972	634215097	/nfs/dbraw/zinc/21/50/97/634215097.db2.gz	MEKIPSPHUMHAOL-YFKPBYRVSA-N	-1	0	264.207	0.993	20	30		CCEDRM
N#Cc1ccc(CC(=O)N2CCC[C@H](C(=O)[O-])C2)cn1	ZINC000901501491	634254700	/nfs/dbraw/zinc/25/47/00/634254700.db2.gz	WUBILMASTMAYRM-NSHDSACASA-N	-1	0	273.292	0.819	20	30		CCEDRM
C[C@@H]1CN(S(=O)(=O)CC(C)(C)C#N)CC[C@H]1C(=O)[O-]	ZINC000905991498	634945066	/nfs/dbraw/zinc/94/50/66/634945066.db2.gz	RCBQZYCMLDCKEK-NXEZZACHSA-N	-1	0	288.369	0.909	20	30		CCEDRM
O=C(N[C@H]1CCCN(O)C1=O)c1cccc(C#CCO)c1	ZINC000908402323	635366899	/nfs/dbraw/zinc/36/68/99/635366899.db2.gz	FDFOYWVFNFEJFR-ZDUSSCGKSA-N	-1	0	288.303	0.140	20	30		CCEDRM
N#Cc1ccc(OCC(=O)N2C[C@H]3[C@H](C(=O)[O-])[C@H]3C2)cc1	ZINC000910797657	635838705	/nfs/dbraw/zinc/83/87/05/635838705.db2.gz	DKFVLUYJETWWHP-IMRBUKKESA-N	-1	0	286.287	0.726	20	30		CCEDRM
CNC(=O)C(C#N)=C([O-])c1cccc(-n2ccnn2)c1	ZINC000165589870	636906484	/nfs/dbraw/zinc/90/64/84/636906484.db2.gz	RHPMBXWOWIGDPO-LLVKDONJSA-N	-1	0	269.264	0.336	20	30		CCEDRM
C#CCOCCC(=O)[N-]S(=O)(=O)C1CCCCC1	ZINC000165931490	636914586	/nfs/dbraw/zinc/91/45/86/636914586.db2.gz	GVRJLOFCRYZBMS-UHFFFAOYSA-N	-1	0	273.354	0.805	20	30		CCEDRM
C#CCOCCC(=O)[N-]S(=O)(=O)CC(F)(F)F	ZINC000166729107	636935922	/nfs/dbraw/zinc/93/59/22/636935922.db2.gz	XHBVJJXOBPWPQC-UHFFFAOYSA-N	-1	0	273.232	0.035	20	30		CCEDRM
C=CCCOCCNC(=O)N1CCC[C@@H]1C(=O)[O-]	ZINC000227476241	637026545	/nfs/dbraw/zinc/02/65/45/637026545.db2.gz	MBWZHJLYMIRQGO-SNVBAGLBSA-N	-1	0	256.302	0.838	20	30		CCEDRM
C=CCCOCCNC(=O)N1CCOC[C@H]1C(=O)[O-]	ZINC000227477399	637026730	/nfs/dbraw/zinc/02/67/30/637026730.db2.gz	WPPGLKAZFHHFTI-JTQLQIEISA-N	-1	0	272.301	0.074	20	30		CCEDRM
C=CCCOCCNC(=O)N(CC(=O)[O-])C1CC1	ZINC000227477683	637026928	/nfs/dbraw/zinc/02/69/28/637026928.db2.gz	UBLBMJYUVYCMPH-UHFFFAOYSA-N	-1	0	256.302	0.838	20	30		CCEDRM
COCCNC(=O)C(C#N)=C([O-])c1cnc(C)s1	ZINC000171566454	637134659	/nfs/dbraw/zinc/13/46/59/637134659.db2.gz	HAWLREHCYXVYNN-MRVPVSSYSA-N	-1	0	267.310	0.537	20	30		CCEDRM
CC(=O)N[C@@H](C)C(=O)[N-]S(=O)(=O)Cc1ccccc1	ZINC000069612845	638388028	/nfs/dbraw/zinc/38/80/28/638388028.db2.gz	AZKYGUMVCAZTSF-VIFPVBQESA-N	-1	0	284.337	0.998	20	30		CCEDRM
CC[C@H](C)S(=O)(=O)[N-]C(=O)CSCC#N	ZINC000181971263	638439177	/nfs/dbraw/zinc/43/91/77/638439177.db2.gz	CCFYZPVJIQBLKC-ZETCQYMHSA-N	-1	0	250.345	0.488	20	30		CCEDRM
N#C[C@]1(C(=O)N2CCO[C@H](CC(=O)[O-])C2)CCCOC1	ZINC000923063949	640012972	/nfs/dbraw/zinc/01/29/72/640012972.db2.gz	FJJOUFDPOLGLRO-ZWNOBZJWSA-N	-1	0	282.296	0.009	20	30		CCEDRM
N#C[C@]1(C(=O)N[C@H](CC(F)F)C(=O)[O-])CCCOC1	ZINC000923080333	640016889	/nfs/dbraw/zinc/01/68/89/640016889.db2.gz	YOKFAOPFJCNAEG-RDDDGLTNSA-N	-1	0	276.239	0.531	20	30		CCEDRM
N#CC1(C(=O)NC[C@]2(C(=O)[O-])CCCOC2)CCC1	ZINC000923099867	640022181	/nfs/dbraw/zinc/02/21/81/640022181.db2.gz	HFNGKCLHCGYDTK-CYBMUJFWSA-N	-1	0	266.297	0.678	20	30		CCEDRM
O=C([O-])Cn1cc(C=NO[C@@H]2CCCCO2)nn1	ZINC000755822681	640337959	/nfs/dbraw/zinc/33/79/59/640337959.db2.gz	HSCBGPTVLCLYED-SNVBAGLBSA-N	-1	0	254.246	0.240	20	30		CCEDRM
Cc1oc(C#N)cc1C(=O)[N-]S(=O)(=O)N(C)C(C)C	ZINC000797949079	640471949	/nfs/dbraw/zinc/47/19/49/640471949.db2.gz	YRNHWKGEJYWTPN-UHFFFAOYSA-N	-1	0	285.325	0.775	20	30		CCEDRM
C[C@H](C#N)OCCOC(=O)C(C)(C)[N-]C(=O)C(F)(F)F	ZINC000801862337	640671972	/nfs/dbraw/zinc/67/19/72/640671972.db2.gz	BUOMDVSXROGOGG-SSDOTTSWSA-N	-1	0	296.245	0.915	20	30		CCEDRM
C=C(C)CN(Cc1ccc(CO)o1)C(=O)c1cc(=O)[nH][n-]1	ZINC000804463543	640768926	/nfs/dbraw/zinc/76/89/26/640768926.db2.gz	SGONAZKOJQUXSD-UHFFFAOYSA-N	-1	0	291.307	0.553	20	30		CCEDRM
N#Cc1ccc(CNC(=O)[C@H]2CC[C@H](C(=O)[O-])O2)nc1	ZINC000806555817	640790701	/nfs/dbraw/zinc/79/07/01/640790701.db2.gz	YITXAQZXBRRMSI-GHMZBOCLSA-N	-1	0	275.264	0.202	20	30		CCEDRM
O=C([O-])COc1cccc(CN=Nc2nc[nH]n2)c1	ZINC000807998887	640844805	/nfs/dbraw/zinc/84/48/05/640844805.db2.gz	UJZCIYIZJVYVGH-UHFFFAOYSA-N	-1	0	261.241	0.714	20	30		CCEDRM
C[C@H](C#N)OCCN1CCC[C@@H](c2n[nH]c(=O)[n-]2)C1	ZINC000808777425	640878790	/nfs/dbraw/zinc/87/87/90/640878790.db2.gz	NCTSYMITMKRLKQ-NXEZZACHSA-N	-1	0	265.317	0.618	20	30		CCEDRM
Cc1cccc(CNC(=O)C(C#N)=C([O-])c2cn(C)nn2)c1	ZINC000809003260	640884142	/nfs/dbraw/zinc/88/41/42/640884142.db2.gz	ORFRNTFQURXKSU-GFCCVEGCSA-N	-1	0	297.318	0.762	20	30		CCEDRM
N#CC(C(=O)N1CCCC1)=C([O-])c1cccc(C#N)n1	ZINC000810528088	640937138	/nfs/dbraw/zinc/93/71/38/640937138.db2.gz	QERCKWATZBELJS-LLVKDONJSA-N	-1	0	268.276	0.898	20	30		CCEDRM
N#Cc1cccc(C(=O)[N-]S(=O)(=O)N2CCCC2)n1	ZINC000810547959	640937701	/nfs/dbraw/zinc/93/77/01/640937701.db2.gz	MHEIHKBNRHYNBN-UHFFFAOYSA-N	-1	0	280.309	0.024	20	30		CCEDRM
N#CCCCC(=O)[N-]S(=O)(=O)c1cccnc1	ZINC000813057361	641020503	/nfs/dbraw/zinc/02/05/03/641020503.db2.gz	VHHMJNGLYDJXLP-UHFFFAOYSA-N	-1	0	253.283	0.580	20	30		CCEDRM
C#CCCCC(=O)[N-]S(=O)(=O)c1cnn(C)c1C	ZINC000813950725	641050945	/nfs/dbraw/zinc/05/09/45/641050945.db2.gz	CVXRTZDAMGPWDA-UHFFFAOYSA-N	-1	0	269.326	0.337	20	30		CCEDRM
N#Cc1cncc(S(=O)(=O)[N-]C(=O)C2CC=CC2)c1	ZINC000813984354	641051863	/nfs/dbraw/zinc/05/18/63/641051863.db2.gz	PYEZHODAHRBGTI-UHFFFAOYSA-N	-1	0	277.305	0.724	20	30		CCEDRM
O=C1[N-]C(=O)C(=NNCc2cnc3ccccc3c2)C(=O)N1	ZINC000814225552	641061102	/nfs/dbraw/zinc/06/11/02/641061102.db2.gz	TZQZOYDXCZMXRM-UHFFFAOYSA-N	-1	0	297.274	0.046	20	30		CCEDRM
Cn1nc(Br)cc1C=Nn1c(=O)[n-][nH]c1=O	ZINC000814233113	641062233	/nfs/dbraw/zinc/06/22/33/641062233.db2.gz	BKWXJCHBOQUFFJ-UHFFFAOYSA-N	-1	0	287.077	0.068	20	30		CCEDRM
Cc1cc(C)c(C(=O)[O-])cc1C=NNS(C)(=O)=O	ZINC000814873201	641079952	/nfs/dbraw/zinc/07/99/52/641079952.db2.gz	RIAGSYNZOZQNAU-UHFFFAOYSA-N	-1	0	270.310	0.885	20	30		CCEDRM
O=C([O-])C1CC(N=Nc2ccc(-n3ccnc3)nn2)C1	ZINC000814915476	641082184	/nfs/dbraw/zinc/08/21/84/641082184.db2.gz	WFRNOQMNRPWGOS-UHFFFAOYSA-N	-1	0	272.268	0.925	20	30		CCEDRM
O=C([O-])CNN=C1C(=O)Nc2cccc(Br)c21	ZINC000814956893	641083185	/nfs/dbraw/zinc/08/31/85/641083185.db2.gz	OXFLTKFWOMEAHT-UHFFFAOYSA-N	-1	0	298.096	0.780	20	30		CCEDRM
O=C([O-])CNN=C1C(=O)Nc2c1c(Cl)ccc2F	ZINC000814956810	641083329	/nfs/dbraw/zinc/08/33/29/641083329.db2.gz	MBYMLTPLWBTUNJ-UHFFFAOYSA-N	-1	0	271.635	0.810	20	30		CCEDRM
NS(=O)(=O)c1ccc2c(c1)C(=NNCC(=O)[O-])CCC2	ZINC000814958360	641084655	/nfs/dbraw/zinc/08/46/55/641084655.db2.gz	NXZUYUSKBWFIRA-UHFFFAOYSA-N	-1	0	297.336	0.049	20	30		CCEDRM
N#CCN1CC[C@@H](NC(=O)c2n[n-]c3ccccc3c2=O)C1	ZINC001015783354	650629696	/nfs/dbraw/zinc/62/96/96/650629696.db2.gz	OCRULHMQTUWAPO-SNVBAGLBSA-N	-1	0	297.318	0.663	20	30		CCEDRM
Cc1cc(C#N)cnc1C(=O)[N-]S(=O)(=O)CC(C)C	ZINC000815930235	641130848	/nfs/dbraw/zinc/13/08/48/641130848.db2.gz	JDTMPRKYDRCGJF-UHFFFAOYSA-N	-1	0	281.337	0.977	20	30		CCEDRM
Cc1cc(C#N)cnc1C(=O)[N-]S(=O)(=O)CC1CC1	ZINC000815947440	641131906	/nfs/dbraw/zinc/13/19/06/641131906.db2.gz	AXVOSFGJCGOZQZ-UHFFFAOYSA-N	-1	0	279.321	0.731	20	30		CCEDRM
O=C(N[C@@H]1CCN(O)C1=O)c1cc([O-])ccc1[N+](=O)[O-]	ZINC000816690628	641190526	/nfs/dbraw/zinc/19/05/26/641190526.db2.gz	XYGVJUPUYNGWGT-MRVPVSSYSA-N	-1	0	281.224	0.020	20	30		CCEDRM
O=C([O-])c1cc(C=NN[C@@H]2CCC[C@H]2O)ccc1O	ZINC000817335873	641253611	/nfs/dbraw/zinc/25/36/11/641253611.db2.gz	DGSXRRVSTKRNKI-ZYHUDNBSSA-N	-1	0	264.281	0.927	20	30		CCEDRM
O=C(N[C@@H]1CCN(O)C1=O)[C@@H]1CCc2ccccc2O1	ZINC000820131546	641464322	/nfs/dbraw/zinc/46/43/22/641464322.db2.gz	JKLGLUMCYRCFDQ-PWSUYJOCSA-N	-1	0	276.292	0.487	20	30		CCEDRM
Cc1nsc(C)c1C(=O)N[C@@H]1CCN(O)C1=O	ZINC000820138259	641469457	/nfs/dbraw/zinc/46/94/57/641469457.db2.gz	YBCLHOFAVWXACE-SSDOTTSWSA-N	-1	0	255.299	0.480	20	30		CCEDRM
N#Cc1ccc(C(=O)N=c2nn[n-]n2C2CC2)cc1	ZINC000821667646	641615303	/nfs/dbraw/zinc/61/53/03/641615303.db2.gz	UFCUGJOLVXQXFV-UHFFFAOYSA-N	-1	0	254.253	0.554	20	30		CCEDRM
N#Cc1c(-c2nnn[n-]2)ncn1Cc1nnsc1Cl	ZINC000826382953	641930784	/nfs/dbraw/zinc/93/07/84/641930784.db2.gz	CDQDSOFPXJOKOI-UHFFFAOYSA-N	-1	0	293.703	0.488	20	30		CCEDRM
N#Cc1c(-c2nnn[n-]2)ncn1Cc1cn2ccccc2n1	ZINC000826383416	641931404	/nfs/dbraw/zinc/93/14/04/641931404.db2.gz	ZLKAPFIPEUQSGO-UHFFFAOYSA-N	-1	0	291.278	0.631	20	30		CCEDRM
C[C@@H](Oc1ccccn1)C(=O)[N-]S(=O)(=O)CCCC#N	ZINC000835273148	642654938	/nfs/dbraw/zinc/65/49/38/642654938.db2.gz	GWLMKXCEZGEFAO-SNVBAGLBSA-N	-1	0	297.336	0.599	20	30		CCEDRM
CC#CCS(=O)(=O)[N-]C(=O)c1cn2nccc2nc1C	ZINC000835372312	642659971	/nfs/dbraw/zinc/65/99/71/642659971.db2.gz	RBHLCXKDWTVOKM-UHFFFAOYSA-N	-1	0	292.320	0.121	20	30		CCEDRM
N#Cc1c[n-]c(=O)n(CC[C@H]2CC2(Cl)Cl)c1=O	ZINC000842613909	642915793	/nfs/dbraw/zinc/91/57/93/642915793.db2.gz	FIZCVGAHPUWCRS-ZETCQYMHSA-N	-1	0	274.107	0.992	20	30		CCEDRM
N#CC1(CS(=O)(=O)[N-]C(=O)[C@H]2CCC(=O)C2)CCCC1	ZINC000842756345	642945537	/nfs/dbraw/zinc/94/55/37/642945537.db2.gz	FBMNABMBGAOBDD-JTQLQIEISA-N	-1	0	298.364	0.886	20	30		CCEDRM
N#CCC1(CS(=O)(=O)N(CCC(=O)[O-])C2CC2)CC1	ZINC000844792377	643248540	/nfs/dbraw/zinc/24/85/40/643248540.db2.gz	VGZKXIZNIWOHAK-UHFFFAOYSA-N	-1	0	286.353	0.949	20	30		CCEDRM
N#Cc1ccc(S(=O)(=O)[N-]C(=O)c2cocn2)cc1	ZINC000105753637	643263270	/nfs/dbraw/zinc/26/32/70/643263270.db2.gz	VQKCCHSVZSFZBX-UHFFFAOYSA-N	-1	0	277.261	0.665	20	30		CCEDRM
Cc1cc(NC(=O)C(=O)[N-]OCC2CC2)ncc1C#N	ZINC000847525045	643528523	/nfs/dbraw/zinc/52/85/23/643528523.db2.gz	IJFKDVXPIDIWMK-UHFFFAOYSA-N	-1	0	274.280	0.658	20	30		CCEDRM
Cn1ncc(C(=O)[O-])c1C=NOC[C@H]1CCOC1	ZINC000848409270	643632985	/nfs/dbraw/zinc/63/29/85/643632985.db2.gz	RKQPHRJZUQXFFG-QMMMGPOBSA-N	-1	0	253.258	0.505	20	30		CCEDRM
C[C@H](CC#N)C(=O)[N-]S(=O)(=O)C[C@H]1CCCCO1	ZINC000850812444	643814764	/nfs/dbraw/zinc/81/47/64/643814764.db2.gz	XDNTXPBFFQWAFT-NXEZZACHSA-N	-1	0	274.342	0.551	20	30		CCEDRM
C[C@@H](CC#N)C(=O)[N-]S(=O)(=O)N1CCc2ccccc21	ZINC000850814001	643815920	/nfs/dbraw/zinc/81/59/20/643815920.db2.gz	CIJWGZKYUAMWQV-JTQLQIEISA-N	-1	0	293.348	0.960	20	30		CCEDRM
Cn1ccnc1C([O-])=C(C#N)C(=O)[C@H]1[C@@H]2COC[C@@H]21	ZINC000850898860	643820313	/nfs/dbraw/zinc/82/03/13/643820313.db2.gz	MOJOHGBTZWBPSY-AXTSPUMRSA-N	-1	0	259.265	0.204	20	30		CCEDRM
C[C@@H](CC(=O)[N-]S(=O)(=O)CCC#N)[C@@H]1CCCO1	ZINC000851016387	643826631	/nfs/dbraw/zinc/82/66/31/643826631.db2.gz	SVIJHKOBEKIRLE-UWVGGRQHSA-N	-1	0	274.342	0.551	20	30		CCEDRM
C[C@H](CC#N)C(=O)[N-]S(=O)(=O)CCOC(C)(C)C	ZINC000851072303	643830531	/nfs/dbraw/zinc/83/05/31/643830531.db2.gz	XNENQNXEYSRJCP-SECBINFHSA-N	-1	0	276.358	0.797	20	30		CCEDRM
Cc1ccncc1S(=O)(=O)[N-]C(=O)[C@H](C)CC#N	ZINC000851088780	643832295	/nfs/dbraw/zinc/83/22/95/643832295.db2.gz	PJTOKXAUMMDYOJ-SECBINFHSA-N	-1	0	267.310	0.745	20	30		CCEDRM
C[C@H](CC#N)C(=O)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cn1	ZINC000851114986	643833039	/nfs/dbraw/zinc/83/30/39/643833039.db2.gz	PYAKJFCUWGCCSW-SSDOTTSWSA-N	-1	0	298.280	0.344	20	30		CCEDRM
Cc1nnc(NN=C2CCCn3nccc32)[n-]c1=O	ZINC000853270157	644095910	/nfs/dbraw/zinc/09/59/10/644095910.db2.gz	LMNNHTFMYUMESC-UHFFFAOYSA-N	-1	0	259.273	0.692	20	30		CCEDRM
Cn1nc(C(F)(F)F)cc1C=Nn1c(=O)[n-][nH]c1=O	ZINC000853348950	644100391	/nfs/dbraw/zinc/10/03/91/644100391.db2.gz	NPRGEDVHNRNVRM-UHFFFAOYSA-N	-1	0	276.178	0.324	20	30		CCEDRM
C[C@H]1O[C@@H](C)[C@H](C)[C@@H]1C(=O)[N-]S(=O)(=O)CCC#N	ZINC000860753495	644826642	/nfs/dbraw/zinc/82/66/42/644826642.db2.gz	YEKBZFJFWUTOQB-QEYWKRMJSA-N	-1	0	274.342	0.406	20	30		CCEDRM
C[C@H]1CN(C(=O)OC(C)(C)C)CC1=NNCC(=O)[O-]	ZINC000863117054	645059984	/nfs/dbraw/zinc/05/99/84/645059984.db2.gz	HMSJVEVGJKDNBM-QMMMGPOBSA-N	-1	0	271.317	0.903	20	30		CCEDRM
O=C([O-])c1cccc(C=NN[C@H]2CCCS(=O)(=O)C2)c1	ZINC000863131673	645061985	/nfs/dbraw/zinc/06/19/85/645061985.db2.gz	MQKQOYCKICYWPY-LBPRGKRZSA-N	-1	0	296.348	0.886	20	30		CCEDRM
C[C@@H]1C(=Nn2ccc(=O)[nH]c2=O)CC[C@H]1CC(=O)[O-]	ZINC000863182375	645067742	/nfs/dbraw/zinc/06/77/42/645067742.db2.gz	JHRZJDHHUJSVRG-YUMQZZPRSA-N	-1	0	265.269	0.674	20	30		CCEDRM
C[C@@H]1C[C@H](C(=O)[N-]S(=O)(=O)CCC#N)[C@@H](C)O1	ZINC000870350377	645984773	/nfs/dbraw/zinc/98/47/73/645984773.db2.gz	BPKYABXGYYAGAK-HLTSFMKQSA-N	-1	0	260.315	0.160	20	30		CCEDRM
Cc1cc(C(=O)[O-])ccc1S(=O)(=O)N1CC(C#N)C1	ZINC000871967097	646200417	/nfs/dbraw/zinc/20/04/17/646200417.db2.gz	AHEBIRASOPUIQA-UHFFFAOYSA-N	-1	0	280.305	0.837	20	30		CCEDRM
O=S1(=O)CC[C@H](NN=Cc2ccc(F)c(F)c2[O-])C1	ZINC000872324815	646249112	/nfs/dbraw/zinc/24/91/12/646249112.db2.gz	PRBXPWRIJIJZNF-QMMMGPOBSA-N	-1	0	290.291	0.781	20	30		CCEDRM
C[C@@H]1CN=C(NN=Cc2ccc(F)c(F)c2[O-])N1	ZINC000872364742	646252451	/nfs/dbraw/zinc/25/24/51/646252451.db2.gz	SNJWPYZPALTJBW-ZCFIWIBFSA-N	-1	0	254.240	0.942	20	30		CCEDRM
N#CCNC(=O)Cn1c(=O)c2ccccc2[n-]c1=S	ZINC000126356817	646735908	/nfs/dbraw/zinc/73/59/08/646735908.db2.gz	IMFQFARXEXDGBQ-UHFFFAOYSA-N	-1	0	274.305	0.325	20	30		CCEDRM
Cn1nnc([N-]S(=O)(=O)c2cccc(F)c2C#N)n1	ZINC000127345796	646982318	/nfs/dbraw/zinc/98/23/18/646982318.db2.gz	RJBNJPYKEZZPEJ-UHFFFAOYSA-N	-1	0	282.260	0.022	20	30		CCEDRM
N#Cc1ccc([C@H]2CN(Cc3n[nH]c(=O)[n-]3)CCO2)cc1	ZINC000933630814	649131055	/nfs/dbraw/zinc/13/10/55/649131055.db2.gz	UFMNYIDFMNVBBW-GFCCVEGCSA-N	-1	0	285.307	0.955	20	30		CCEDRM
CC(C)c1cc(C(=O)[N-]S(=O)(=O)c2cnn(C)c2)[nH]n1	ZINC000075801570	649362402	/nfs/dbraw/zinc/36/24/02/649362402.db2.gz	QTZMMVBSPKDGBY-UHFFFAOYSA-N	-1	0	297.340	0.960	20	30		CCEDRM
C=CCN(CC(=O)[O-])C(=O)c1cc2c([nH]c1=O)CCCC2	ZINC000191248139	649470272	/nfs/dbraw/zinc/47/02/72/649470272.db2.gz	HSAYYAXMVNKAJQ-UHFFFAOYSA-N	-1	0	290.319	0.967	20	30		CCEDRM
C=CCN(CC(=O)[O-])C(=O)c1cccc(-n2cccn2)n1	ZINC000191272456	649470487	/nfs/dbraw/zinc/47/04/87/649470487.db2.gz	NXYNBVWEVFOATC-UHFFFAOYSA-N	-1	0	286.291	0.980	20	30		CCEDRM
COCCNC(=O)C(C#N)=C([O-])c1sc(C)nc1C	ZINC000193415017	649537195	/nfs/dbraw/zinc/53/71/95/649537195.db2.gz	CMKYIWLHXNLWIM-SECBINFHSA-N	-1	0	281.337	0.845	20	30		CCEDRM
CN(CCC#N)C(=O)[C@@H]1CO[C@@H](CCC(=O)[O-])C1	ZINC001604126642	972532573	/nfs/dbraw/zinc/53/25/73/972532573.db2.gz	FZEDXMHVIIQFNG-UWVGGRQHSA-N	-1	0	254.286	0.628	20	30		CCEDRM
N#Cc1ccc(F)cc1OC(=O)[C@@H](O)CC(=O)[O-]	ZINC001230636357	805637608	/nfs/dbraw/zinc/63/76/08/805637608.db2.gz	JQTPLQWHOICJPJ-QMMMGPOBSA-N	-1	0	253.185	0.438	20	30		CCEDRM
N#Cc1ccc([O-])c(CN2CCS(=O)(=O)CC2)c1	ZINC001232676006	805970410	/nfs/dbraw/zinc/97/04/10/805970410.db2.gz	XOQSMBYGYPHKEM-UHFFFAOYSA-N	-1	0	266.322	0.494	20	30		CCEDRM
Cc1c(Cl)cnc(N[C@@H]2CO[N-]C2=O)c1C#N	ZINC001167513522	791500526	/nfs/dbraw/zinc/50/05/26/791500526.db2.gz	LUSVHJQNZUIIDI-MRVPVSSYSA-N	-1	0	252.661	0.757	20	30		CCEDRM
N#CCN1CC[C@H](Oc2n[n-]c(=O)cc2Cl)C1	ZINC001233586847	806088505	/nfs/dbraw/zinc/08/85/05/806088505.db2.gz	JHNZYUXCXATLQV-ZETCQYMHSA-N	-1	0	254.677	0.812	20	30		CCEDRM
COC(=O)c1[n-]cnc(=O)c1OC1=C(C)O[C@@H](C)C1=O	ZINC001233757730	806116245	/nfs/dbraw/zinc/11/62/45/806116245.db2.gz	GPJKVYMDMRXJRE-YFKPBYRVSA-N	-1	0	280.236	0.567	20	30		CCEDRM
COc1cc(C#N)cc(C)c1OC(=O)[C@@H](O)CC(=O)[O-]	ZINC001234865568	806308667	/nfs/dbraw/zinc/30/86/67/806308667.db2.gz	SUXKODUQIGJTKL-VIFPVBQESA-N	-1	0	279.248	0.616	20	30		CCEDRM
COC(C)(C)[C@H](C)Nc1[n-]c(=O)n(C)c(=O)c1C#N	ZINC001120875470	798953972	/nfs/dbraw/zinc/95/39/72/798953972.db2.gz	XFJPRQDKQSEVRR-ZETCQYMHSA-N	-1	0	266.301	0.171	20	30		CCEDRM
C=CC[C@@H](CO)CNC(=O)NC[C@@H](CC)C(=O)[O-]	ZINC001121917444	799093320	/nfs/dbraw/zinc/09/33/20/799093320.db2.gz	KJBLJTOPCTXOEC-NXEZZACHSA-N	-1	0	258.318	0.581	20	30		CCEDRM
N#C[C@]1(C(=O)NCCc2n[n-]c(=S)o2)CCCOC1	ZINC001138526005	799737762	/nfs/dbraw/zinc/73/77/62/799737762.db2.gz	WVDBSLPNJVBJLM-LLVKDONJSA-N	-1	0	282.325	0.337	20	30		CCEDRM
C#C[C@@H](C)NC(=O)c1sc(C(=O)[O-])c2c1OCCO2	ZINC001152713006	800549488	/nfs/dbraw/zinc/54/94/88/800549488.db2.gz	CYXQPDLNNUDPPW-ZCFIWIBFSA-N	-1	0	281.289	0.969	20	30		CCEDRM
CCc1nc(C#N)c(C#N)nc1N[C@@H]1SC(=O)[N-]C1=O	ZINC001155846129	801065273	/nfs/dbraw/zinc/06/52/73/801065273.db2.gz	JINFFHUEJFIEBJ-SNVBAGLBSA-N	-1	0	288.292	0.503	20	30		CCEDRM
COc1nc(NCC[N-]C(=O)C(F)(F)F)ncc1C#N	ZINC001156200609	801128237	/nfs/dbraw/zinc/12/82/37/801128237.db2.gz	VHMJDTHQLRMVNN-UHFFFAOYSA-N	-1	0	289.217	0.447	20	30		CCEDRM
N#Cc1c[nH]c2c1cccc2C(=O)NCc1n[nH]c(=O)[n-]1	ZINC001157173931	801318102	/nfs/dbraw/zinc/31/81/02/801318102.db2.gz	RZMBTYGGWHJFNX-UHFFFAOYSA-N	-1	0	282.263	0.793	20	30		CCEDRM
N#Cc1cnc(NC(=N)SCCS(=O)(=O)[O-])cn1	ZINC001157321814	801352044	/nfs/dbraw/zinc/35/20/44/801352044.db2.gz	DEFNBCQKKQDEAC-UHFFFAOYSA-N	-1	0	287.326	0.316	20	30		CCEDRM
Cc1nc(Cl)nc(NCC(=O)CCC(=O)[O-])c1C#N	ZINC001160874387	802038306	/nfs/dbraw/zinc/03/83/06/802038306.db2.gz	LVBMWEYNZXJWKD-UHFFFAOYSA-N	-1	0	282.687	0.578	20	30		CCEDRM
C#Cc1nccnc1[N-]S(=O)(=O)c1ccccn1	ZINC001259281979	808747547	/nfs/dbraw/zinc/74/75/47/808747547.db2.gz	CYAKYMDKJCMKOD-UHFFFAOYSA-N	-1	0	260.278	0.654	20	30		CCEDRM
Cc1nc(C#N)cnc1[N-]S(=O)(=O)C1CCOCC1	ZINC001259908375	808798035	/nfs/dbraw/zinc/79/80/35/808798035.db2.gz	KOKQENZIDUOGKM-UHFFFAOYSA-N	-1	0	282.325	0.577	20	30		CCEDRM
N#Cc1cncc([N-]S(=O)(=O)C2CCOCC2)n1	ZINC001259907884	808798229	/nfs/dbraw/zinc/79/82/29/808798229.db2.gz	KCCAGFVTJNSPHS-UHFFFAOYSA-N	-1	0	268.298	0.269	20	30		CCEDRM
C=CCS(=O)(=O)NCCCC[P@](=O)([O-])O	ZINC001259934248	808809954	/nfs/dbraw/zinc/80/99/54/808809954.db2.gz	KGORYFIXBLUXDW-UHFFFAOYSA-N	-1	0	257.248	0.050	20	30		CCEDRM
CCc1nc(C#N)cc(N[C@@H]2SC(=O)[N-]C2=O)n1	ZINC001163664788	802586012	/nfs/dbraw/zinc/58/60/12/802586012.db2.gz	KMXKLHYUZYUECD-SECBINFHSA-N	-1	0	263.282	0.632	20	30		CCEDRM
COc1ccc(N[C@H]2SC(=O)[N-]C2=O)nc1CC#N	ZINC001163667062	802587194	/nfs/dbraw/zinc/58/71/94/802587194.db2.gz	XJSSTIWZBMHRSD-JTQLQIEISA-N	-1	0	278.293	0.877	20	30		CCEDRM
C=C[C@H](C)O[N-]C(=O)[C@@H](NC(=O)C1CCCC1)[C@H](C)O	ZINC001164413659	802738148	/nfs/dbraw/zinc/73/81/48/802738148.db2.gz	GTTLPKBIXLYHQZ-NHCYSSNCSA-N	-1	0	284.356	0.665	20	30		CCEDRM
CCO[N-]C(=O)CNC(=O)c1c[nH]c2cccc(C#N)c21	ZINC001164584806	802769130	/nfs/dbraw/zinc/76/91/30/802769130.db2.gz	TXSIOIOVKRAFMZ-UHFFFAOYSA-N	-1	0	286.291	0.837	20	30		CCEDRM
N#Cc1c(N)nn(-c2cc(F)cc(C(=O)[O-])c2)c1N	ZINC001209885223	803633133	/nfs/dbraw/zinc/63/31/33/803633133.db2.gz	IOSIYLQPTNTIEU-UHFFFAOYSA-N	-1	0	261.216	0.746	20	30		CCEDRM
Nc1nonc1C(=N[O-])Nc1ccc2ncncc2c1	ZINC001210454411	803650668	/nfs/dbraw/zinc/65/06/68/803650668.db2.gz	YADSNENPKVPRQB-UHFFFAOYSA-N	-1	0	271.240	0.843	20	30		CCEDRM
C=CCC[C@H](NS(=O)(=O)CCC(=O)OCC)C(=O)[O-]	ZINC000316445778	804700936	/nfs/dbraw/zinc/70/09/36/804700936.db2.gz	KYLPIYIYISALAM-VIFPVBQESA-N	-1	0	293.341	0.278	20	30		CCEDRM
C=C[C@]1(C)CC[C@@H](C(C)(C)Oc2c([O-])c(=O)c(=O)c2=O)O1	ZINC001225829743	805167208	/nfs/dbraw/zinc/16/72/08/805167208.db2.gz	BCMRMMGVAPDUHF-VXJOIVPMSA-N	-1	0	294.303	0.630	20	30		CCEDRM
C=C[C@H](Oc1[n-]c(=O)ncc1[N+](=O)[O-])C(=O)OC	ZINC001226336641	805221556	/nfs/dbraw/zinc/22/15/56/805221556.db2.gz	QXKPAQQDKJCRMY-LURJTMIESA-N	-1	0	255.186	0.197	20	30		CCEDRM
C=CCOC[C@H](CS(=O)(=O)[O-])Oc1cnc(C)nc1	ZINC001226958831	805299167	/nfs/dbraw/zinc/29/91/67/805299167.db2.gz	DJQLQBRNIGSRHB-LLVKDONJSA-N	-1	0	288.325	0.623	20	30		CCEDRM
O=C(C#CC1CC1)NC1CCN(Cc2n[nH]c(=O)[n-]2)CC1	ZINC001227289681	805340382	/nfs/dbraw/zinc/34/03/82/805340382.db2.gz	GMICOCQQXIKKTG-UHFFFAOYSA-N	-1	0	289.339	0.004	20	30		CCEDRM
C=C(C)C(=O)OC[C@@H](C)Oc1nc(O)cc(=O)[n-]1	ZINC001228388498	805442724	/nfs/dbraw/zinc/44/27/24/805442724.db2.gz	JPXKMVNKHHCQOA-SSDOTTSWSA-N	-1	0	254.242	0.774	20	30		CCEDRM
CCOC(=O)C[C@@H](CC#N)Oc1nc(O)cc(=O)[n-]1	ZINC001228389497	805442888	/nfs/dbraw/zinc/44/28/88/805442888.db2.gz	ZMDUVRZOBODAIK-SSDOTTSWSA-N	-1	0	267.241	0.502	20	30		CCEDRM
O=C([O-])C[C@@H](O)C(=O)Oc1cccc2c1C(=O)C=CC2=O	ZINC001228471380	805448767	/nfs/dbraw/zinc/44/87/67/805448767.db2.gz	WIBMYDHZSFPHJB-SNVBAGLBSA-N	-1	0	290.227	0.363	20	30		CCEDRM
C=CCc1ccc(O)c(OC(=O)[C@H](O)CC(=O)[O-])c1	ZINC001229341134	805523116	/nfs/dbraw/zinc/52/31/16/805523116.db2.gz	GIRKUAROVOSCFY-SNVBAGLBSA-N	-1	0	266.249	0.862	20	30		CCEDRM
Cc1cc(C#N)cc(C#N)c1[N-]S(=O)(=O)N(C)C	ZINC001251087145	807662615	/nfs/dbraw/zinc/66/26/15/807662615.db2.gz	JGJFPKMFPJHOTJ-UHFFFAOYSA-N	-1	0	264.310	0.957	20	30		CCEDRM
C=CCOC[C@@H](CS(=O)(=O)[O-])OCC(=C)C(=O)OC	ZINC001224369783	815154215	/nfs/dbraw/zinc/15/42/15/815154215.db2.gz	WHQIGDLAGLBXMM-JTQLQIEISA-N	-1	0	294.325	0.191	20	30		CCEDRM
CNC(=O)c1cc(C#N)cc(C)c1[N-]S(C)(=O)=O	ZINC001252732992	807952894	/nfs/dbraw/zinc/95/28/94/807952894.db2.gz	FGBWPIHCWMWQAC-UHFFFAOYSA-N	-1	0	267.310	0.598	20	30		CCEDRM
C=C[C@@H](O)CNc1ccc(S(=O)(=O)[N-]C(N)=O)cc1	ZINC001253594909	808094109	/nfs/dbraw/zinc/09/41/09/808094109.db2.gz	ZOEWDSOLCITING-SECBINFHSA-N	-1	0	285.325	0.002	20	30		CCEDRM
C=C(C)C(=O)OCc1cn(-c2cncc(C(=O)[O-])c2)nn1	ZINC001254096150	808181540	/nfs/dbraw/zinc/18/15/40/808181540.db2.gz	PTYQBXMITWFFLL-UHFFFAOYSA-N	-1	0	288.263	0.980	20	30		CCEDRM
C=CC[C@H](NC(=O)[C@H]1C[C@@H]1c1cnn(C)c1)C(=O)[O-]	ZINC001256560766	808533663	/nfs/dbraw/zinc/53/36/63/808533663.db2.gz	UEAQSBPVNNZRNZ-VWYCJHECSA-N	-1	0	263.297	0.669	20	30		CCEDRM
Cn1nncc1[N-]S(=O)(=O)c1ccc(F)c(C#N)c1	ZINC001259413151	808757813	/nfs/dbraw/zinc/75/78/13/808757813.db2.gz	UZVNKPXHUOWIOZ-UHFFFAOYSA-N	-1	0	281.272	0.627	20	30		CCEDRM
COc1ncnc([N-]S(=O)(=O)c2cccnc2)c1C#N	ZINC001259603244	808761588	/nfs/dbraw/zinc/76/15/88/808761588.db2.gz	SJWHWMAJVOSUCZ-UHFFFAOYSA-N	-1	0	291.292	0.553	20	30		CCEDRM
C[C@H]1CN(O)C(=O)[C@H]1NS(=O)(=O)CC1CCCCC1	ZINC001259621866	808765852	/nfs/dbraw/zinc/76/58/52/808765852.db2.gz	BKWOLZITVJHQBS-ONGXEEELSA-N	-1	0	290.385	0.722	20	30		CCEDRM
Cc1nc(C#N)cnc1[N-]S(=O)(=O)c1cnn(C)c1	ZINC001259820768	808776459	/nfs/dbraw/zinc/77/64/59/808776459.db2.gz	OXCXZQUYGWKANG-UHFFFAOYSA-N	-1	0	278.297	0.191	20	30		CCEDRM
CCn1cc(S(=O)(=O)[N-]c2oc(C)nc2C#N)cn1	ZINC001259832790	808782778	/nfs/dbraw/zinc/78/27/78/808782778.db2.gz	YVHRDZZTKASFFD-UHFFFAOYSA-N	-1	0	281.297	0.872	20	30		CCEDRM
Cn1ccc(S(=O)(=O)[N-]c2ccc(O)c(C#N)c2)n1	ZINC001259944181	808816580	/nfs/dbraw/zinc/81/65/80/808816580.db2.gz	MMJWTHPBNLPVGA-UHFFFAOYSA-N	-1	0	278.293	0.798	20	30		CCEDRM
N#C[C@@H]([N-]S(=O)(=O)Cc1ccccc1Cl)C(N)=O	ZINC001260697463	808876047	/nfs/dbraw/zinc/87/60/47/808876047.db2.gz	GCNOPPQKEORPTH-SECBINFHSA-N	-1	0	287.728	0.137	20	30		CCEDRM
C=CC[C@@H](NC(=O)Cc1ncccc1OC)C(=O)[O-]	ZINC001262177423	809223204	/nfs/dbraw/zinc/22/32/04/809223204.db2.gz	UQWVLZVCVKBTHI-SECBINFHSA-N	-1	0	264.281	0.778	20	30		CCEDRM
Cn1c(=O)[n-]c(NCCSC(F)(F)F)c(C#N)c1=O	ZINC001262679547	809392275	/nfs/dbraw/zinc/39/22/75/809392275.db2.gz	SETJKKCUGREYTF-UHFFFAOYSA-N	-1	0	294.258	0.610	20	30		CCEDRM
CCS(=O)(=O)c1cccc(C([O-])=C(C#N)C(=O)NC)c1	ZINC001263291738	809502890	/nfs/dbraw/zinc/50/28/90/809502890.db2.gz	GXPIUDCUFJUROI-NSHDSACASA-N	-1	0	294.332	0.549	20	30		CCEDRM
C[C@H]1[C@H](Nc2cccc(/C=N/O)c2)C(=O)N1S(=O)(=O)[O-]	ZINC001167862196	812326236	/nfs/dbraw/zinc/32/62/36/812326236.db2.gz	ZUZFCGGVXUNCHS-KHKUCJAISA-N	-1	0	299.308	0.309	20	30		CCEDRM
COc1ccc(NC(=N[O-])c2nonc2N)c(CO)c1	ZINC001211735112	812537005	/nfs/dbraw/zinc/53/70/05/812537005.db2.gz	GGAMRZYXRKDMIG-UHFFFAOYSA-N	-1	0	279.256	0.401	20	30		CCEDRM
C=C[C@@H](CC(=O)OC(C)(C)C)Oc1c([O-])c(=O)c1=O	ZINC001226603973	814059426	/nfs/dbraw/zinc/05/94/26/814059426.db2.gz	YWUUQNFEZUOBIV-ZETCQYMHSA-N	-1	0	268.265	0.653	20	30		CCEDRM
C=CCOC[C@@H](CS(=O)(=O)[O-])Oc1cc(C)[nH]n1	ZINC001226662689	814070488	/nfs/dbraw/zinc/07/04/88/814070488.db2.gz	IFMCDRLZCOCCFF-VIFPVBQESA-N	-1	0	276.314	0.556	20	30		CCEDRM
C=CCOC[C@H](CS(=O)(=O)[O-])OCC1(C#N)CC1	ZINC001224949201	815773305	/nfs/dbraw/zinc/77/33/05/815773305.db2.gz	YZVVHAPEWHCHDC-SNVBAGLBSA-N	-1	0	275.326	0.766	20	30		CCEDRM
C=C(C)CCC(=O)N1CCC(O)(c2nnn[n-]2)CC1	ZINC001120733866	816203309	/nfs/dbraw/zinc/20/33/09/816203309.db2.gz	GGNDPNKGWSHXMY-UHFFFAOYSA-N	-1	0	265.317	0.366	20	30		CCEDRM
C#CCN1CC[C@H](N(CC)C(=O)c2n[nH]c(C)c2[O-])C1	ZINC001033806958	818944044	/nfs/dbraw/zinc/94/40/44/818944044.db2.gz	QVFCDQPYLWROLV-NSHDSACASA-N	-1	0	276.340	0.593	20	30		CCEDRM
C=CCn1cc(C(=O)NCC2(C(=O)[O-])CCOCC2)nn1	ZINC001118261145	820201232	/nfs/dbraw/zinc/20/12/32/820201232.db2.gz	VAYLSXJHIOQVAF-UHFFFAOYSA-N	-1	0	294.311	0.075	20	30		CCEDRM
Cc1[nH]nc(C(=O)N(C)C[C@H]2CCN2CC#N)c1[O-]	ZINC001085550490	821786003	/nfs/dbraw/zinc/78/60/03/821786003.db2.gz	VONTWRFLUSDUSP-SECBINFHSA-N	-1	0	263.301	0.094	20	30		CCEDRM
N#CC1(CS(=O)(=O)[N-]C(=O)C2=COCCC2)CC1	ZINC000793196514	837402216	/nfs/dbraw/zinc/40/22/16/837402216.db2.gz	UXQZZWMSAPEPCX-UHFFFAOYSA-N	-1	0	270.310	0.430	20	30		CCEDRM
Cc1[nH]nc(C(=O)N2CC[C@H](CNCC#N)[C@H](C)C2)c1[O-]	ZINC001184200348	844176357	/nfs/dbraw/zinc/17/63/57/844176357.db2.gz	UIWRIRUKFNZIGH-MWLCHTKSSA-N	-1	0	291.355	0.635	20	30		CCEDRM
O=C(CCC(=O)N1CC[C@H](O)[C@H](CO)C1)C1=CC=C[CH]1	ZINC001184245029	844187061	/nfs/dbraw/zinc/18/70/61/844187061.db2.gz	NMQWQYUSKHMGDH-JSGCOSHPSA-N	-1	0	278.328	0.238	20	30		CCEDRM
CN1CCOC[C@H]1CNC(=O)CCC(=O)C1=CC=C[CH]1	ZINC001184245847	844187361	/nfs/dbraw/zinc/18/73/61/844187361.db2.gz	DJEDOQALURNWLR-CYBMUJFWSA-N	-1	0	277.344	0.483	20	30		CCEDRM
C[C@@H](Nc1cncc(C#N)n1)[C@H](C)NC(=O)c1cn[nH]n1	ZINC001113356506	837097279	/nfs/dbraw/zinc/09/72/79/837097279.db2.gz	IKRYGZLKNQBCRQ-SFYZADRCSA-N	-1	0	286.299	0.085	20	30		CCEDRM
C=CCCc1ccc(C(=O)N[C@@H]2CO[N-]C2=O)c(=O)[nH]1	ZINC001185362968	844402962	/nfs/dbraw/zinc/40/29/62/844402962.db2.gz	RADQSTUPQYUFMD-SNVBAGLBSA-N	-1	0	277.280	0.066	20	30		CCEDRM
CC(=O)[N-]S(=O)(=O)c1ccc(NCCCS)nc1	ZINC001159871438	839615269	/nfs/dbraw/zinc/61/52/69/839615269.db2.gz	DGCUVPYXYDHBIA-UHFFFAOYSA-N	-1	0	289.382	0.638	20	30		CCEDRM
CCOCCS(=O)(=O)[N-]c1ncn(C)c1C#N	ZINC001187249480	844688733	/nfs/dbraw/zinc/68/87/33/844688733.db2.gz	DHXRGSACNREQNC-UHFFFAOYSA-N	-1	0	258.303	0.070	20	30		CCEDRM
O=C([O-])c1cc(S(=O)(=O)NCCS)ccc1F	ZINC001186200785	844520105	/nfs/dbraw/zinc/52/01/05/844520105.db2.gz	JTDJVWVFZNSWEZ-UHFFFAOYSA-N	-1	0	279.314	0.732	20	30		CCEDRM
N#Cc1cn(CCC(=O)NCC2=CCCC2)c(=O)[n-]c1=O	ZINC001148055545	840734686	/nfs/dbraw/zinc/73/46/86/840734686.db2.gz	COKLBFZAEYJKOJ-UHFFFAOYSA-N	-1	0	288.307	0.437	20	30		CCEDRM
CCC(=CC(=O)NCCn1cc(C#N)c(=O)[n-]c1=O)CC	ZINC001148392768	840790549	/nfs/dbraw/zinc/79/05/49/840790549.db2.gz	HPSGSRGAOVUXPE-UHFFFAOYSA-N	-1	0	290.323	0.683	20	30		CCEDRM
CC#CCCCC(=O)NCCn1cc(C#N)c(=O)[n-]c1=O	ZINC001148392937	840791324	/nfs/dbraw/zinc/79/13/24/840791324.db2.gz	OQTSYOPBHRHBRB-UHFFFAOYSA-N	-1	0	288.307	0.130	20	30		CCEDRM
N#Cc1ccc(F)c(F)c1NC(=O)Cc1nnn[n-]1	ZINC001176845047	842443846	/nfs/dbraw/zinc/44/38/46/842443846.db2.gz	NSIVBUAVVMGVBY-UHFFFAOYSA-N	-1	0	264.195	0.531	20	30		CCEDRM
CO/N=C(\C(=O)NCC(=O)CCC(=O)[O-])c1ccco1	ZINC001177354907	842564158	/nfs/dbraw/zinc/56/41/58/842564158.db2.gz	BOHIRGUPXUVKGX-KAMYIIQDSA-N	-1	0	282.252	0.180	20	30		CCEDRM
N#Cc1cc(CC(=O)NC2C(=O)N=CN=C2[O-])ccn1	ZINC001177666004	842647127	/nfs/dbraw/zinc/64/71/27/842647127.db2.gz	ISXVHYFTNJJDOW-UHFFFAOYSA-N	-1	0	271.236	0.336	20	30		CCEDRM
N#Cc1sccc1NC(=O)Cn1nn[n-]c1=S	ZINC001177736581	842663095	/nfs/dbraw/zinc/66/30/95/842663095.db2.gz	VPSZXTXXGMESNY-UHFFFAOYSA-N	-1	0	266.311	0.534	20	30		CCEDRM
C#CC1(NC(=O)Cn2nn[n-]c2=S)CCCCC1	ZINC001177742597	842665351	/nfs/dbraw/zinc/66/53/51/842665351.db2.gz	GRVCTXJHADQSFG-UHFFFAOYSA-N	-1	0	265.342	0.414	20	30		CCEDRM
CCOC(=O)c1nc(NC(=O)C#Cc2ccccn2)c[nH]1	ZINC001177800984	842681611	/nfs/dbraw/zinc/68/16/11/842681611.db2.gz	NASINVBOJFZNTA-UHFFFAOYSA-N	-1	0	284.275	0.972	20	30		CCEDRM
O=C(C#Cc1ccc(F)cc1F)N[C@@H]1SC(=O)[N-]C1=O	ZINC001178574110	842883082	/nfs/dbraw/zinc/88/30/82/842883082.db2.gz	ROPMFUKAAMQWBZ-LLVKDONJSA-N	-1	0	296.254	0.742	20	30		CCEDRM
C=CC[C@H](NC(=O)CN1CCCCCC1=O)C(=O)[O-]	ZINC000150152210	842995355	/nfs/dbraw/zinc/99/53/55/842995355.db2.gz	PZHQQUDOEBRAEV-JTQLQIEISA-N	-1	0	268.313	0.535	20	30		CCEDRM
C=CC[C@H](NC(=O)c1ccc(NC(N)=O)cc1)C(=O)[O-]	ZINC000150215793	843003718	/nfs/dbraw/zinc/00/37/18/843003718.db2.gz	RTOLUKJQGBFKJG-JTQLQIEISA-N	-1	0	277.280	0.936	20	30		CCEDRM
CC(C#N)=C([O-])n1oc(=O)nc1-c1ccc(N)cc1	ZINC001179893451	843068555	/nfs/dbraw/zinc/06/85/55/843068555.db2.gz	BWMZMIRKJNJPSZ-ZETCQYMHSA-N	-1	0	258.237	0.885	20	30		CCEDRM
CC(C)(Oc1ccc(C#N)cc1)C(=O)N[C@@H]1CO[N-]C1=O	ZINC001181206509	843420932	/nfs/dbraw/zinc/42/09/32/843420932.db2.gz	XSMJLQJLXWEIRO-LLVKDONJSA-N	-1	0	289.291	0.262	20	30		CCEDRM
C#Cc1cc([N-]S(=O)(=O)c2cnoc2C)ccn1	ZINC001187327584	844695148	/nfs/dbraw/zinc/69/51/48/844695148.db2.gz	DZCJQIVZHCUNOX-UHFFFAOYSA-N	-1	0	263.278	0.582	20	30		CCEDRM
Cc1oncc1S(=O)(=O)[N-]c1cncc(C#N)n1	ZINC001187328712	844695657	/nfs/dbraw/zinc/69/56/57/844695657.db2.gz	PEKNSQUHHCLGLV-UHFFFAOYSA-N	-1	0	265.254	0.446	20	30		CCEDRM
COc1ccc(C#N)c(C(=O)NCS(=O)(=O)[O-])c1	ZINC001189096044	845050114	/nfs/dbraw/zinc/05/01/14/845050114.db2.gz	HVIPRKWWQGFNIB-UHFFFAOYSA-N	-1	0	270.266	0.142	20	30		CCEDRM
Cc1ncc(C#N)cc1[N-]S(=O)(=O)c1ncc[nH]1	ZINC001190690682	845467868	/nfs/dbraw/zinc/46/78/68/845467868.db2.gz	PSJGOWOELDPHJE-UHFFFAOYSA-N	-1	0	263.282	0.786	20	30		CCEDRM
N#Cc1cncc(CNS(=O)(=O)c2ncc[n-]2)c1	ZINC001190754714	845492842	/nfs/dbraw/zinc/49/28/42/845492842.db2.gz	DRPGOLIUOBRVAO-UHFFFAOYSA-N	-1	0	263.282	0.155	20	30		CCEDRM
N#Cc1ncc([N-]S(=O)(=O)c2ccncc2)cn1	ZINC001190855696	845521454	/nfs/dbraw/zinc/52/14/54/845521454.db2.gz	PVGMQTYTVGWFDR-UHFFFAOYSA-N	-1	0	261.266	0.544	20	30		CCEDRM
C#Cc1ccccc1C(=O)N[C@@H](CCC(=O)[O-])C(=O)OC	ZINC001191116668	845585010	/nfs/dbraw/zinc/58/50/10/845585010.db2.gz	LQTPBZZMOWRPDD-LBPRGKRZSA-N	-1	0	289.287	0.804	20	30		CCEDRM
C=CCn1cc(C[N-]S(=O)(=O)c2conc2C)nn1	ZINC001191583304	845686522	/nfs/dbraw/zinc/68/65/22/845686522.db2.gz	UKSDTQBOPRXFEB-UHFFFAOYSA-N	-1	0	283.313	0.239	20	30		CCEDRM
COC(=O)[C@H](CCC(=O)[O-])NC(=O)c1ccnc(C#N)c1	ZINC001191558181	845689743	/nfs/dbraw/zinc/68/97/43/845689743.db2.gz	NVLXPDPFTOZDND-JTQLQIEISA-N	-1	0	291.263	0.089	20	30		CCEDRM
C[C@H](C#N)N(C)S(=O)(=O)c1ccc(OCC(=O)[O-])cc1	ZINC001192717083	845901566	/nfs/dbraw/zinc/90/15/66/845901566.db2.gz	XHSIKCZLHDCOFQ-SECBINFHSA-N	-1	0	298.320	0.683	20	30		CCEDRM
N#CCS(=O)(=O)[N-]c1cnc(C(F)(F)F)cn1	ZINC001192939257	845943375	/nfs/dbraw/zinc/94/33/75/845943375.db2.gz	MEXDORPGMQCMOG-UHFFFAOYSA-N	-1	0	266.204	0.761	20	30		CCEDRM
N#CCS(=O)(=O)[N-]c1cccc2c1OCC[C@H]2O	ZINC001192982598	845943500	/nfs/dbraw/zinc/94/35/00/845943500.db2.gz	TXTBSBRUIZVEPR-SNVBAGLBSA-N	-1	0	268.294	0.768	20	30		CCEDRM
CS(=O)(=O)c1cc(F)ccc1[N-]S(=O)(=O)CC#N	ZINC001192982273	845943648	/nfs/dbraw/zinc/94/36/48/845943648.db2.gz	NJUQJBGNVJRQIK-UHFFFAOYSA-N	-1	0	292.313	0.494	20	30		CCEDRM
N#CCS(=O)(=O)[N-]c1c(F)c(F)ccc1CO	ZINC001192981969	845943700	/nfs/dbraw/zinc/94/37/00/845943700.db2.gz	BJVXUMRORPQPMT-UHFFFAOYSA-N	-1	0	262.237	0.722	20	30		CCEDRM
COc1cc(CO)ccc1[N-]S(=O)(=O)CC#N	ZINC001192981193	845943760	/nfs/dbraw/zinc/94/37/60/845943760.db2.gz	YNVRZEJRFYLNLH-UHFFFAOYSA-N	-1	0	256.283	0.453	20	30		CCEDRM
COc1cc(C#N)c(F)cc1[N-]S(=O)(=O)CC#N	ZINC001192982766	845944836	/nfs/dbraw/zinc/94/48/36/845944836.db2.gz	XBLULZNVMRQGPL-UHFFFAOYSA-N	-1	0	269.257	0.971	20	30		CCEDRM
N#CCS(=O)(=O)[N-]c1cccc2c1NC(=O)NC2	ZINC001192986354	845945334	/nfs/dbraw/zinc/94/53/34/845945334.db2.gz	ZCHZMZIETPAKFV-UHFFFAOYSA-N	-1	0	266.282	0.587	20	30		CCEDRM
N#CCS(=O)(=O)Nc1ccc2c(c1)CC(=O)C2	ZINC001192987776	845946127	/nfs/dbraw/zinc/94/61/27/845946127.db2.gz	DTYNUZRFHGLLBU-UHFFFAOYSA-N	-1	0	250.279	0.620	20	30		CCEDRM
COc1nc(Cl)cnc1[N-]S(=O)(=O)[C@@H](C)C#N	ZINC001193104360	845978198	/nfs/dbraw/zinc/97/81/98/845978198.db2.gz	HZJIBBVBPIAMKU-YFKPBYRVSA-N	-1	0	276.705	0.792	20	30		CCEDRM
C[C@H](C#N)S(=O)(=O)[N-]c1noc2nccnc12	ZINC001193105153	845978947	/nfs/dbraw/zinc/97/89/47/845978947.db2.gz	RJZSNDQDVUOSMZ-RXMQYKEDSA-N	-1	0	253.243	0.272	20	30		CCEDRM
COCCOc1cc([N-]S(=O)(=O)[C@H](C)C#N)ccn1	ZINC001193111807	845980992	/nfs/dbraw/zinc/98/09/92/845980992.db2.gz	LPEJOUSLJWYHMB-SECBINFHSA-N	-1	0	285.325	0.761	20	30		CCEDRM
C[C@@H](C#N)S(=O)(=O)[N-]c1cccc2c1CNC(=O)N2	ZINC001193158324	846007556	/nfs/dbraw/zinc/00/75/56/846007556.db2.gz	NUYWBRUFCBJCEM-ZETCQYMHSA-N	-1	0	280.309	0.975	20	30		CCEDRM
CNC(=O)c1ccc([N-]S(=O)(=O)[C@H](C)C#N)c(F)c1	ZINC001193158992	846008118	/nfs/dbraw/zinc/00/81/18/846008118.db2.gz	YCLXIPTUEGMPNV-SSDOTTSWSA-N	-1	0	285.300	0.839	20	30		CCEDRM
COC(=O)c1cc([N-]S(=O)(=O)[C@@H](C)C#N)ccc1C#N	ZINC001193157593	846008504	/nfs/dbraw/zinc/00/85/04/846008504.db2.gz	FOXIIWQVTXCFPE-QMMMGPOBSA-N	-1	0	293.304	0.999	20	30		CCEDRM
COc1cc([N-]S(=O)(=O)[C@H](C)C#N)cc(C(N)=O)c1	ZINC001193161661	846009675	/nfs/dbraw/zinc/00/96/75/846009675.db2.gz	SLEXETNTJPPHAZ-SSDOTTSWSA-N	-1	0	283.309	0.448	20	30		CCEDRM
N#Cc1cccc([N-]S(=O)(=O)C[C@@H]2CCCO2)n1	ZINC001193205428	846018722	/nfs/dbraw/zinc/01/87/22/846018722.db2.gz	HMPFPBFNMUHGOA-JTQLQIEISA-N	-1	0	267.310	0.874	20	30		CCEDRM
N#Cc1cccc(C(=O)N2CC[C@@H](CO)[C@@H](O)C2)c1[O-]	ZINC001193642330	846135472	/nfs/dbraw/zinc/13/54/72/846135472.db2.gz	DVVVNNUYJBHKPT-JQWIXIFHSA-N	-1	0	276.292	0.079	20	30		CCEDRM
N=C(c1nonc1N)N(O)C(=O)c1ccc(F)c([O-])c1F	ZINC001193771099	846151344	/nfs/dbraw/zinc/15/13/44/846151344.db2.gz	UMPQRTPOSFFFPE-UHFFFAOYSA-N	-1	0	299.193	0.493	20	30		CCEDRM
Cn1cc(CCNC(=O)c2ccc(C#N)cc2[O-])cn1	ZINC001195764964	846613298	/nfs/dbraw/zinc/61/32/98/846613298.db2.gz	UZPYMUGCWINCLT-UHFFFAOYSA-N	-1	0	270.292	0.970	20	30		CCEDRM
N#Cc1ccc(C(=O)N2CCN3C(=O)CC[C@@H]3C2)c([O-])c1	ZINC001195742010	846618938	/nfs/dbraw/zinc/61/89/38/846618938.db2.gz	UHAJXDOXFMSJGN-LLVKDONJSA-N	-1	0	285.303	0.711	20	30		CCEDRM
C#Cc1cnc([N-]S(=O)(=O)Cc2ccccn2)c(C#C)n1	ZINC001197789425	846963834	/nfs/dbraw/zinc/96/38/34/846963834.db2.gz	VRUVIRFGBYONKP-UHFFFAOYSA-N	-1	0	298.327	0.776	20	30		CCEDRM
C#CCOC[C@H](O)CNc1cc(=O)[n-]c(Cl)n1	ZINC001251825656	847152041	/nfs/dbraw/zinc/15/20/41/847152041.db2.gz	ACSXMYZDMWKKBU-SSDOTTSWSA-N	-1	0	257.677	0.258	20	30		CCEDRM
Cn1ncc([N-]S(=O)(=O)C(F)(F)F)c1C#N	ZINC001252287524	847922229	/nfs/dbraw/zinc/92/22/29/847922229.db2.gz	ZHLFNAXZZRBGGG-UHFFFAOYSA-N	-1	0	254.193	0.553	20	30		CCEDRM
Cn1cc([N-]S(=O)(=O)C(F)(F)F)c(C#N)n1	ZINC001252287409	847922484	/nfs/dbraw/zinc/92/24/84/847922484.db2.gz	XPYAHHJNIYYFJV-UHFFFAOYSA-N	-1	0	254.193	0.553	20	30		CCEDRM
C=CCNC(=O)Nc1ccc(S(=O)(=O)[N-]C(C)=O)cc1	ZINC001202555668	848170707	/nfs/dbraw/zinc/17/07/07/848170707.db2.gz	PDMQXUQCOVJHBV-UHFFFAOYSA-N	-1	0	297.336	0.819	20	30		CCEDRM
CC#CCNC(=O)c1cc(=O)n(-c2nc(C)cc(C)n2)[n-]1	ZINC000901260847	851661615	/nfs/dbraw/zinc/66/16/15/851661615.db2.gz	RHAINDUQUDLJMB-UHFFFAOYSA-N	-1	0	285.307	0.326	20	30		CCEDRM
C#CC[C@H](NC(=O)[C@@H]1CC(=O)N(C2CCCC2)C1)C(=O)[O-]	ZINC000149570582	853986417	/nfs/dbraw/zinc/98/64/17/853986417.db2.gz	KJXSQPZGYLSFJX-PWSUYJOCSA-N	-1	0	292.335	0.370	20	30		CCEDRM
C#CC[C@H](NC(=O)c1cccc(N(C)C)c1)C(=O)[O-]	ZINC000149551919	853986623	/nfs/dbraw/zinc/98/66/23/853986623.db2.gz	RASLEZVXGBYNRY-LBPRGKRZSA-N	-1	0	260.293	0.959	20	30		CCEDRM
C#CC[C@@H](NC(=O)COc1ccccc1C)C(=O)[O-]	ZINC000149862693	854003962	/nfs/dbraw/zinc/00/39/62/854003962.db2.gz	HQYBRTZWOBZGSY-LLVKDONJSA-N	-1	0	261.277	0.967	20	30		CCEDRM
C#CC[C@H](NC(=O)c1cc(Br)cn1C)C(=O)[O-]	ZINC000149938995	854008327	/nfs/dbraw/zinc/00/83/27/854008327.db2.gz	IRJRHYHACWFGLQ-QMMMGPOBSA-N	-1	0	299.124	0.994	20	30		CCEDRM
CCc1nn(C)cc1C=Nn1c(=O)c(C)n[n-]c1=S	ZINC001116450814	855769626	/nfs/dbraw/zinc/76/96/26/855769626.db2.gz	BPHRNVXSUFJHBH-UHFFFAOYSA-N	-1	0	278.341	0.414	20	30		CCEDRM
N#CCCCS(=O)(=O)N[C@@H](CC(=O)[O-])c1ccccn1	ZINC001116663109	855807093	/nfs/dbraw/zinc/80/70/93/855807093.db2.gz	KCOOCQQLPFGXBE-NSHDSACASA-N	-1	0	297.336	0.821	20	30		CCEDRM
N#CCCCS(=O)(=O)[N-]C(=O)/C=C\c1ccncn1	ZINC001116709943	855817593	/nfs/dbraw/zinc/81/75/93/855817593.db2.gz	NWJMGDIULWCDRL-ARJAWSKDSA-N	-1	0	280.309	0.240	20	30		CCEDRM
C=C(C)C[C@H](NCc1cc(C(=O)[O-])nn1C)C(=O)OC	ZINC001119036660	856537183	/nfs/dbraw/zinc/53/71/83/856537183.db2.gz	RUTZCZRGCFXQHJ-NSHDSACASA-N	-1	0	281.312	0.716	20	30		CCEDRM
C=C[C@@H](CCC(=O)[O-])NCc1nnn(C(C)(C)C)n1	ZINC001119611818	856777042	/nfs/dbraw/zinc/77/70/42/856777042.db2.gz	MKCLQKBANKYOOO-VIFPVBQESA-N	-1	0	267.333	0.937	20	30		CCEDRM
N#CC1(CNC(=O)CSc2n[nH]c(=O)[n-]2)CC1	ZINC001325060639	913177659	/nfs/dbraw/zinc/17/76/59/913177659.db2.gz	CXEPKSVCZOVKQD-UHFFFAOYSA-N	-1	0	253.287	0.022	20	30		CCEDRM
Cn1[n-]c(C(=O)NCCc2ccc(C#N)cc2)cc1=O	ZINC001362950810	893659863	/nfs/dbraw/zinc/65/98/63/893659863.db2.gz	YVNIPRFDDDDJOI-UHFFFAOYSA-N	-1	0	270.292	0.970	20	30		CCEDRM
N#CC[C@H](Oc1c([O-])c(=O)c(=O)c1=O)c1ccccc1	ZINC001225830985	893698467	/nfs/dbraw/zinc/69/84/67/893698467.db2.gz	OOPQQBWAIXMCAL-VIFPVBQESA-N	-1	0	271.228	0.382	20	30		CCEDRM
Cc1[nH]nc(C(=O)N2CC[C@](C)(CNCC#N)C2)c1[O-]	ZINC001484089215	896192551	/nfs/dbraw/zinc/19/25/51/896192551.db2.gz	LQNDZRSOAAPWLN-CYBMUJFWSA-N	-1	0	277.328	0.389	20	30		CCEDRM
C=CCCn1cc(CN[C@@H](C(=O)[O-])c2ccnn2C)nn1	ZINC001327019372	914316101	/nfs/dbraw/zinc/31/61/01/914316101.db2.gz	XRTXTLZSMVHDKT-GFCCVEGCSA-N	-1	0	290.327	0.503	20	30		CCEDRM
COc1nc(C)cnc1[N-]S(=O)(=O)[C@@H](C)C#N	ZINC001193106949	900031985	/nfs/dbraw/zinc/03/19/85/900031985.db2.gz	MCQYASNUAHILEY-ZETCQYMHSA-N	-1	0	256.287	0.447	20	30		CCEDRM
COc1ccc(C#N)cc1NC(=O)CCc1nnn[n-]1	ZINC001411702264	901203668	/nfs/dbraw/zinc/20/36/68/901203668.db2.gz	LRJFNOZMHPRDJO-UHFFFAOYSA-N	-1	0	272.268	0.651	20	30		CCEDRM
N#CC1(C(=O)N2CCO[C@@H](c3nnn[n-]3)C2)CC2(CC2)C1	ZINC001411778633	901248626	/nfs/dbraw/zinc/24/86/26/901248626.db2.gz	POIUXEYXIPCWLE-SECBINFHSA-N	-1	0	288.311	0.184	20	30		CCEDRM
CC[C@H](C)[C@@H](C)NC(=O)Cn1cc(C#N)c(=O)[n-]c1=O	ZINC001411798831	901261833	/nfs/dbraw/zinc/26/18/33/901261833.db2.gz	IPXUTBUHILJUBS-DTWKUNHWSA-N	-1	0	278.312	0.371	20	30		CCEDRM
CC[C@@H](C)[C@@H](C)NC(=O)CCn1cc(C#N)c(=O)[n-]c1=O	ZINC001412577000	901837088	/nfs/dbraw/zinc/83/70/88/901837088.db2.gz	NYUVSWJHRCYCPE-NXEZZACHSA-N	-1	0	292.339	0.761	20	30		CCEDRM
N#Cc1c[n-]n2c1nc(CN1CC[C@](F)(C#N)C1)cc2=O	ZINC001412977108	902425885	/nfs/dbraw/zinc/42/58/85/902425885.db2.gz	ONOGNVSUOLQHJL-ZDUSSCGKSA-N	-1	0	286.270	0.744	20	30		CCEDRM
C=CCCC[C@H](NC(=O)Cc1cc[nH]n1)C(=O)[O-]	ZINC001332645056	904547745	/nfs/dbraw/zinc/54/77/45/904547745.db2.gz	AAXDYARHIRHCJB-JTQLQIEISA-N	-1	0	251.286	0.878	20	30		CCEDRM
C=C(C)CN(CC)c1nc2c(nc([O-])n(C)c2=O)[nH]1	ZINC001336971792	921133198	/nfs/dbraw/zinc/13/31/98/921133198.db2.gz	UHIWWHDGDOXWER-UHFFFAOYSA-N	-1	0	263.301	0.765	20	30		CCEDRM
C=CCCC[C@@H](C)NC(=O)C(=O)N[C@H]1C[C@@H](C(=O)[O-])C1	ZINC001337187019	921211509	/nfs/dbraw/zinc/21/15/09/921211509.db2.gz	BAOQCGFSMUVSRI-MXWKQRLJSA-N	-1	0	282.340	0.827	20	30		CCEDRM
Cn1c(=O)[n-]c(N[C@@H]2CCCC23CC3)c(C#N)c1=O	ZINC001337237314	921221558	/nfs/dbraw/zinc/22/15/58/921221558.db2.gz	MGLHTUOSXKKNFO-SECBINFHSA-N	-1	0	260.297	0.690	20	30		CCEDRM
N#Cc1cn(CC(=O)N[C@@H]2C=CCCC2)c(=O)[n-]c1=O	ZINC001294730764	906623730	/nfs/dbraw/zinc/62/37/30/906623730.db2.gz	OLILGPHRCCMWIH-SNVBAGLBSA-N	-1	0	274.280	0.045	20	30		CCEDRM
O=C(N[C@@H]1CCN(O)C1=O)c1c(F)cccc1[N+](=O)[O-]	ZINC001298425233	907240442	/nfs/dbraw/zinc/24/04/42/907240442.db2.gz	IVIGXGNZULJPRT-SSDOTTSWSA-N	-1	0	283.215	0.454	20	30		CCEDRM
N#Cc1ccc(CCNC(=O)c2n[nH]c(=O)[n-]2)cc1	ZINC001306874571	908270208	/nfs/dbraw/zinc/27/02/08/908270208.db2.gz	IADAKEDFXHUTDB-UHFFFAOYSA-N	-1	0	257.253	0.354	20	30		CCEDRM
C[C@@H]1CCC[C@H]1NC(=O)CCn1cc(C#N)c(=O)[n-]c1=O	ZINC001417639532	921486211	/nfs/dbraw/zinc/48/62/11/921486211.db2.gz	DOZBSNGUFUJBMW-MWLCHTKSSA-N	-1	0	290.323	0.515	20	30		CCEDRM
C=C[C@@](C)(CCOC)C(=O)NCc1nc(=O)o[n-]1	ZINC001320882533	910913029	/nfs/dbraw/zinc/91/30/29/910913029.db2.gz	VNHOAYBRXVXCLM-NSHDSACASA-N	-1	0	255.274	0.208	20	30		CCEDRM
C#CCO[N-]C(=O)[C@H](CC#CC)NC(=O)OC(C)(C)C	ZINC001339077570	921642936	/nfs/dbraw/zinc/64/29/36/921642936.db2.gz	LSUORFUFBWYBML-NSHDSACASA-N	-1	0	280.324	0.974	20	30		CCEDRM
C=CC[C@@H](CC)NC(=O)C(=O)[N-]OCCSC	ZINC001322881315	912004614	/nfs/dbraw/zinc/00/46/14/912004614.db2.gz	WTPQJXGMMTXKAA-SECBINFHSA-N	-1	0	260.359	0.868	20	30		CCEDRM
N#Cc1ccc2c(c1)CCN2C(=O)c1n[nH]c(=O)[n-]c1=O	ZINC001417949021	921728249	/nfs/dbraw/zinc/72/82/49/921728249.db2.gz	MJEZLYSZJNTJFN-UHFFFAOYSA-N	-1	0	283.247	0.357	20	30		CCEDRM
C=C[C@](C)(O)C(=O)NCc1cc(C(=O)[O-])c(C)o1	ZINC001339508651	921741011	/nfs/dbraw/zinc/74/10/11/921741011.db2.gz	DZLSVELFVGEACB-LBPRGKRZSA-N	-1	0	253.254	0.839	20	30		CCEDRM
C=CC[C@H](NC(=O)Cn1nc(C)c2cccnc21)C(=O)[O-]	ZINC001339523361	921749057	/nfs/dbraw/zinc/74/90/57/921749057.db2.gz	HUOUSGBKWSOWBQ-NSHDSACASA-N	-1	0	288.307	0.885	20	30		CCEDRM
C=C(C)CO[N-]C(=O)C(=O)Nc1cc(COC)ncn1	ZINC001328728523	915392886	/nfs/dbraw/zinc/39/28/86/915392886.db2.gz	SLVGDWQHKXRSQC-UHFFFAOYSA-N	-1	0	280.284	0.185	20	30		CCEDRM
C=CC[C@H](NC(=O)[C@@H]1COCCN1C1CCCC1)C(=O)[O-]	ZINC001329213971	915747935	/nfs/dbraw/zinc/74/79/35/915747935.db2.gz	CGMLSXRWYPUADW-STQMWFEESA-N	-1	0	296.367	0.775	20	30		CCEDRM
C#C[C@H](CC)[N-]S(=O)(=O)c1cc(C(=O)OC)no1	ZINC001331555271	917412488	/nfs/dbraw/zinc/41/24/88/917412488.db2.gz	ONIJCQSIKSRDDQ-SSDOTTSWSA-N	-1	0	272.282	0.151	20	30		CCEDRM
C#CCOCCC(=O)[N-]S(=O)(=O)CC[C@H]1CCCO1	ZINC001331552747	917414648	/nfs/dbraw/zinc/41/46/48/917414648.db2.gz	QVXMXQWWYNXJJI-LLVKDONJSA-N	-1	0	289.353	0.041	20	30		CCEDRM
C=CCC[C@@H](NC(=O)c1cc(CN(C)C)on1)C(=O)[O-]	ZINC001332134561	917891837	/nfs/dbraw/zinc/89/18/37/917891837.db2.gz	BJUNFJNZUKNEHY-SNVBAGLBSA-N	-1	0	281.312	0.885	20	30		CCEDRM
C=CC[C@H](NC(=O)c1cccnc1N(C)C)C(=O)[O-]	ZINC001332137365	917896364	/nfs/dbraw/zinc/89/63/64/917896364.db2.gz	VZJAKJXCEVDPJM-JTQLQIEISA-N	-1	0	263.297	0.907	20	30		CCEDRM
C#CC[C@H](NC(=O)c1ccc(OCC)nc1)C(=O)[O-]	ZINC001332175301	917934262	/nfs/dbraw/zinc/93/42/62/917934262.db2.gz	MTFPLSOOVVCMMC-JTQLQIEISA-N	-1	0	262.265	0.687	20	30		CCEDRM
C=CC[C@H]1CCN(C(=O)C(=O)N[C@H]2C[C@@H](C(=O)[O-])C2)C1	ZINC001332189417	917942461	/nfs/dbraw/zinc/94/24/61/917942461.db2.gz	YGFSXRFAFBPBED-GARJFASQSA-N	-1	0	280.324	0.390	20	30		CCEDRM
Cc1nc2c(c(=O)[nH]1)CN(C(=O)CSCC#N)C2	ZINC001332372632	918100191	/nfs/dbraw/zinc/10/01/91/918100191.db2.gz	HDCJNABKEMJVDU-UHFFFAOYSA-N	-1	0	264.310	0.590	20	30		CCEDRM
C=C[C@H](O)C(=O)NC1(C(=O)[O-])Cc2ccccc2C1	ZINC001333317823	918797258	/nfs/dbraw/zinc/79/72/58/918797258.db2.gz	IPDNEVINSVEIBO-NSHDSACASA-N	-1	0	261.277	0.272	20	30		CCEDRM
C=CC[C@@H](NC(=O)CCc1cncn1C)C(=O)[O-]	ZINC001334187991	919410112	/nfs/dbraw/zinc/41/01/12/919410112.db2.gz	ONWFBSLNDBAHKU-SNVBAGLBSA-N	-1	0	251.286	0.498	20	30		CCEDRM
CC#CCS(=O)(=O)[N-]C(=O)c1n[nH]c2c1C[C@@H](C)CC2	ZINC001334260531	919465133	/nfs/dbraw/zinc/46/51/33/919465133.db2.gz	RDZNPXORSMPXNS-VIFPVBQESA-N	-1	0	295.364	0.617	20	30		CCEDRM
C=CCCO[N-]C(=O)CNS(=O)(=O)c1ccccc1	ZINC001334567112	919656593	/nfs/dbraw/zinc/65/65/93/919656593.db2.gz	VKXRUBZFNAEORZ-UHFFFAOYSA-N	-1	0	284.337	0.589	20	30		CCEDRM
C=CC[C@H]1CCN1C(=O)c1c[n-]n2c1nccc2=O	ZINC001335364021	920147833	/nfs/dbraw/zinc/14/78/33/920147833.db2.gz	SEMRRVSHKYXJEF-VIFPVBQESA-N	-1	0	258.281	0.813	20	30		CCEDRM
C=CCn1c(-c2nc(Cl)n[nH]2)nnc1N1CCOCC1	ZINC001339867067	921859014	/nfs/dbraw/zinc/85/90/14/921859014.db2.gz	JTTWTIKGFOUWOV-UHFFFAOYSA-N	-1	0	295.734	0.739	20	30		CCEDRM
CN(Cc1nc(=O)o[n-]1)C(=O)[C@]1(C#N)CC12CCCC2	ZINC001418187410	921883400	/nfs/dbraw/zinc/88/34/00/921883400.db2.gz	BIMKJCYEBLMEDC-CYBMUJFWSA-N	-1	0	276.296	0.795	20	30		CCEDRM
N#CCN(C(=O)c1c[n-]n2c1nccc2=O)C1CCCC1	ZINC001340105459	921959258	/nfs/dbraw/zinc/95/92/58/921959258.db2.gz	NXSWTRJMPFSVDH-UHFFFAOYSA-N	-1	0	285.307	0.931	20	30		CCEDRM
C=CCN(c1nnc(-c2cc(=O)[nH][n-]2)n1CC)C1CC1	ZINC001340242118	922022168	/nfs/dbraw/zinc/02/21/68/922022168.db2.gz	HBZJWZLHPHXGJU-UHFFFAOYSA-N	-1	0	274.328	0.677	20	30		CCEDRM
C=CCn1c(-c2cc(=O)[nH][n-]2)nnc1N1CCCC1	ZINC001340432445	922083180	/nfs/dbraw/zinc/08/31/80/922083180.db2.gz	YPPXBFSZLYUDLM-UHFFFAOYSA-N	-1	0	260.301	0.288	20	30		CCEDRM
N#Cc1csc(C(=O)NCc2nc([O-])cc(=O)[nH]2)c1	ZINC001418617528	922310021	/nfs/dbraw/zinc/31/00/21/922310021.db2.gz	DKQMLWDCNCBKGT-UHFFFAOYSA-N	-1	0	276.277	0.751	20	30		CCEDRM
CC(C)OCCCNC(=O)C(C#N)=C([O-])c1cncn1C	ZINC001341916358	922723428	/nfs/dbraw/zinc/72/34/28/922723428.db2.gz	ANDJPFZKVHPKEW-NSHDSACASA-N	-1	0	292.339	0.674	20	30		CCEDRM
Cn1nc(C([O-])=C(C#N)C(=O)NC2CC2)cc1C(F)F	ZINC001341948700	922734420	/nfs/dbraw/zinc/73/44/20/922734420.db2.gz	WVVQVEYNMNILGH-SSDOTTSWSA-N	-1	0	282.250	0.959	20	30		CCEDRM
Cc1c(C([O-])=C(C#N)C(=O)N2CCCC2)nnn1C	ZINC001342578333	923011450	/nfs/dbraw/zinc/01/14/50/923011450.db2.gz	CPWKPNNICJGTAK-SECBINFHSA-N	-1	0	261.285	0.068	20	30		CCEDRM
COCCCNC(=O)C(C#N)=C([O-])c1cn(C2CC2)nn1	ZINC001342632692	923032095	/nfs/dbraw/zinc/03/20/95/923032095.db2.gz	NILPYUYFBFDJDO-SNVBAGLBSA-N	-1	0	291.311	0.088	20	30		CCEDRM
N#CC(=C([O-])c1cc2n(n1)CCCO2)c1ccncn1	ZINC001344037552	923537671	/nfs/dbraw/zinc/53/76/71/923537671.db2.gz	WKSGIIMMZCKDEY-SECBINFHSA-N	-1	0	269.264	0.946	20	30		CCEDRM
C#CC[C@H](NC(=O)[C@H]1CCOC(C)(C)C1)C(=O)[O-]	ZINC001344537034	923629667	/nfs/dbraw/zinc/62/96/67/923629667.db2.gz	WODFBCNNNOGWMV-UWVGGRQHSA-N	-1	0	253.298	0.784	20	30		CCEDRM
Cn1c(Cl)cnc1C(C#N)=C([O-])c1cc(=O)n(C)cn1	ZINC001344863637	923713422	/nfs/dbraw/zinc/71/34/22/923713422.db2.gz	IXHKCPWPQRJEEW-SSDOTTSWSA-N	-1	0	291.698	0.657	20	30		CCEDRM
Cc1cc(C#N)c(=O)[n-]c1C(=O)NCC[C@@H](O)C1CC1	ZINC001420521814	923741824	/nfs/dbraw/zinc/74/18/24/923741824.db2.gz	HFNGGOZQTRGPKY-LLVKDONJSA-N	-1	0	275.308	0.858	20	30		CCEDRM
C=C[C@@H](COC)NS(=O)(=O)c1ccc(C(=O)[O-])cc1	ZINC001345282528	923846201	/nfs/dbraw/zinc/84/62/01/923846201.db2.gz	HGNCHBGODMXIPU-JTQLQIEISA-N	-1	0	285.321	0.864	20	30		CCEDRM
C=CCNC(=O)C(C#N)=C([O-])c1cc(C(=O)OC)no1	ZINC001346065628	924062896	/nfs/dbraw/zinc/06/28/96/924062896.db2.gz	UWUWWVSFDNQNGU-ZETCQYMHSA-N	-1	0	277.236	0.086	20	30		CCEDRM
C=C(C)C[C@@H](NC(=O)CN1CCC(CO)CC1)C(=O)[O-]	ZINC001346310386	924154973	/nfs/dbraw/zinc/15/49/73/924154973.db2.gz	BHNRBZAELREXNO-GFCCVEGCSA-N	-1	0	284.356	0.226	20	30		CCEDRM
C=CCCO[C@@H](C)C(=O)N1CC[C@H](c2nnn[n-]2)C1	ZINC001347196561	924395944	/nfs/dbraw/zinc/39/59/44/924395944.db2.gz	FPHNSVRGLXTRNU-UWVGGRQHSA-N	-1	0	265.317	0.497	20	30		CCEDRM
N#CCSCC(=O)[N-]S(=O)(=O)c1cncc(C#N)c1	ZINC001347552622	924478755	/nfs/dbraw/zinc/47/87/55/924478755.db2.gz	XLQZORMXLZHDGI-UHFFFAOYSA-N	-1	0	296.333	0.015	20	30		CCEDRM
C=CCCn1cc(C(=O)N2CC[C@@H]([C@@H](F)C(=O)[O-])C2)nn1	ZINC001347563279	924480249	/nfs/dbraw/zinc/48/02/49/924480249.db2.gz	PHIBBFYMVRAYOP-MWLCHTKSSA-N	-1	0	296.302	0.739	20	30		CCEDRM
C=C[C@@H](C)O[N-]C(=O)C(=O)Nc1ccn(CCOC)n1	ZINC001349571662	924991999	/nfs/dbraw/zinc/99/19/99/924991999.db2.gz	AOJCBPPHINDDAW-SECBINFHSA-N	-1	0	282.300	0.090	20	30		CCEDRM
C=C[C@H](CC(=O)N[C@H](CO)C(=O)[O-])c1ccccc1	ZINC001350781571	925278241	/nfs/dbraw/zinc/27/82/41/925278241.db2.gz	BARKDQDECJAQIH-ZYHUDNBSSA-N	-1	0	263.293	0.908	20	30		CCEDRM
C=CC[C@@H](NC(=O)NCCO[C@@H]1CCOC1)C(=O)[O-]	ZINC001351010959	925336070	/nfs/dbraw/zinc/33/60/70/925336070.db2.gz	QOYJQJQNQYNFPI-NXEZZACHSA-N	-1	0	272.301	0.120	20	30		CCEDRM
C=CCCn1cc(C(=O)Nc2nc(C#N)c(C#N)[n-]2)nn1	ZINC001300044310	925593269	/nfs/dbraw/zinc/59/32/69/925593269.db2.gz	FWCLFEUQGLTOLV-UHFFFAOYSA-N	-1	0	282.267	0.573	20	30		CCEDRM
C=CCCCNC(=O)C(=O)N[C@H]1C[C@@H](C(=O)[O-])C1	ZINC001353206999	925763845	/nfs/dbraw/zinc/76/38/45/925763845.db2.gz	CGSQBZOEEHWJGD-DTORHVGOSA-N	-1	0	254.286	0.048	20	30		CCEDRM
CN(C[C@H](O)c1cccc(C#N)c1)C(=O)c1n[nH]c(=O)[n-]1	ZINC001413859207	925840297	/nfs/dbraw/zinc/84/02/97/925840297.db2.gz	SVOFHBMWIKBCRY-JTQLQIEISA-N	-1	0	287.279	0.188	20	30		CCEDRM
C=C1CCC(C(=O)[N-]S(=O)(=O)c2ccnn2C)CC1	ZINC001353509364	925855923	/nfs/dbraw/zinc/85/59/23/925855923.db2.gz	CRSOZIFJZOCNQT-UHFFFAOYSA-N	-1	0	283.353	0.971	20	30		CCEDRM
N#CC(C(=O)NC1CC1)=C([O-])c1ccc(C(N)=O)s1	ZINC001356004263	926333246	/nfs/dbraw/zinc/33/32/46/926333246.db2.gz	ZNYRWCBUYQLBFJ-ZETCQYMHSA-N	-1	0	277.305	0.448	20	30		CCEDRM
Cc1csc(Sc2[n-]c(=O)n(C)c(=O)c2C#N)n1	ZINC001413872311	926347266	/nfs/dbraw/zinc/34/72/66/926347266.db2.gz	UNKRGQCYSPJJQL-UHFFFAOYSA-N	-1	0	280.334	0.861	20	30		CCEDRM
C=CC[C@@H](NC(=O)Cn1ncc2cc(C)cnc21)C(=O)[O-]	ZINC001356183375	926352724	/nfs/dbraw/zinc/35/27/24/926352724.db2.gz	LVZQDELMUUFBTR-LLVKDONJSA-N	-1	0	288.307	0.885	20	30		CCEDRM
CC(C)(C)n1nnc(C([O-])=C(C#N)c2ccncn2)n1	ZINC001357689604	926586563	/nfs/dbraw/zinc/58/65/63/926586563.db2.gz	NYJSAFZTHFYINS-MRVPVSSYSA-N	-1	0	271.284	0.708	20	30		CCEDRM
N#Cc1cc(Cn2c(=O)[n-]cc(C#N)c2=O)ccc1F	ZINC001421411981	926737749	/nfs/dbraw/zinc/73/77/49/926737749.db2.gz	YDTPSRYMVTZLTP-UHFFFAOYSA-N	-1	0	270.223	0.467	20	30		CCEDRM
C[C@H](Nc1[n-]c(=O)n(C)c(=O)c1C#N)c1cccc(O)c1	ZINC001413883438	926760185	/nfs/dbraw/zinc/76/01/85/926760185.db2.gz	CFOPVLVNFWKYLP-QMMMGPOBSA-N	-1	0	286.291	0.824	20	30		CCEDRM
CSc1[n-]c(=O)c(C(=O)N2NC(=O)C[C@@H]2C)cc1C#N	ZINC001361783934	927326367	/nfs/dbraw/zinc/32/63/67/927326367.db2.gz	XXVSOYDLYAIRJI-LURJTMIESA-N	-1	0	292.320	0.646	20	30		CCEDRM
Cc1cc(C#N)c(=O)[n-]c1C(=O)NCCc1nncn1C	ZINC001362109030	927622001	/nfs/dbraw/zinc/62/20/01/927622001.db2.gz	IPSLGZIQODRGHB-UHFFFAOYSA-N	-1	0	286.295	0.068	20	30		CCEDRM
Cc1cc(C#N)c(=O)[n-]c1C(=O)N[C@@H]1CCn2ccnc2C1	ZINC001362365723	927929062	/nfs/dbraw/zinc/92/90/62/927929062.db2.gz	IGJANVGTNQYWTD-LLVKDONJSA-N	-1	0	297.318	0.909	20	30		CCEDRM
N#CC[C@@H](C(=O)NCCc1nc(=O)o[n-]1)c1ccccc1	ZINC001362402009	927971941	/nfs/dbraw/zinc/97/19/41/927971941.db2.gz	OCUCVDYUNXIHCY-LLVKDONJSA-N	-1	0	286.291	0.719	20	30		CCEDRM
Cc1cc(C#N)c(=O)[n-]c1C(=O)N[C@@](C)(C(N)=O)C(C)C	ZINC001362431490	928012644	/nfs/dbraw/zinc/01/26/44/928012644.db2.gz	LDLFODPSFBCQDM-CQSZACIVSA-N	-1	0	290.323	0.597	20	30		CCEDRM
COC[C@H](CNC(=O)c1[n-]c(=O)c(C#N)cc1C)OC	ZINC001362466449	928055053	/nfs/dbraw/zinc/05/50/53/928055053.db2.gz	IJHGFADSQZTHRB-JTQLQIEISA-N	-1	0	279.296	0.359	20	30		CCEDRM
N#Cc1ccnc(C(=O)N2CCC[C@H](c3nnn[n-]3)C2)c1	ZINC001362683914	928351524	/nfs/dbraw/zinc/35/15/24/928351524.db2.gz	BXYZNMLKJTUZIT-JTQLQIEISA-N	-1	0	283.295	0.486	20	30		CCEDRM
CC(C)(C(=O)Nn1c(=O)[n-][nH]c1=O)c1ccc(C#N)cc1	ZINC001362792886	928496066	/nfs/dbraw/zinc/49/60/66/928496066.db2.gz	GWXUHCXWHPFTBG-UHFFFAOYSA-N	-1	0	287.279	0.609	20	30		CCEDRM
COc1cc(C#N)ccc1C(=O)N(C)Cc1nc(=O)o[n-]1	ZINC001362838722	928556625	/nfs/dbraw/zinc/55/66/25/928556625.db2.gz	DXBVRSOTDFONSX-UHFFFAOYSA-N	-1	0	288.263	0.515	20	30		CCEDRM
CC[C@@H](C)[C@@H](C)C(=O)NCCn1cc(C#N)c(=O)[n-]c1=O	ZINC001363127951	928898772	/nfs/dbraw/zinc/89/87/72/928898772.db2.gz	JVYTVRQMARJQPR-NXEZZACHSA-N	-1	0	292.339	0.619	20	30		CCEDRM
Cc1cc(C#N)c(=O)[n-]c1C(=O)NC[C@H](CO)C(C)C	ZINC001363160802	928934084	/nfs/dbraw/zinc/93/40/84/928934084.db2.gz	RMQPBHVTAAPXQL-LLVKDONJSA-N	-1	0	277.324	0.962	20	30		CCEDRM
Cc1cc(C#N)c(=O)[n-]c1C(=O)NCc1cncn1C	ZINC001363174501	928944666	/nfs/dbraw/zinc/94/46/66/928944666.db2.gz	ACAIHFBXZAWMGX-UHFFFAOYSA-N	-1	0	271.280	0.631	20	30		CCEDRM
Cc1[nH]c(C#N)cc1C(=O)N1CCC(c2nnn[n-]2)CC1	ZINC001363283687	929073133	/nfs/dbraw/zinc/07/31/33/929073133.db2.gz	RPQJCYQLFOBRGG-UHFFFAOYSA-N	-1	0	285.311	0.728	20	30		CCEDRM
COC[C@@H](CCNC(=O)c1[n-]c(=O)c(C#N)cc1C)OC	ZINC001363474753	929278466	/nfs/dbraw/zinc/27/84/66/929278466.db2.gz	KAAABGROFYPFOD-LLVKDONJSA-N	-1	0	293.323	0.749	20	30		CCEDRM
Cn1c(=O)[n-]c(NC[C@]2(O)CCCC2(C)C)c(C#N)c1=O	ZINC001363729394	929524145	/nfs/dbraw/zinc/52/41/45/929524145.db2.gz	JFDSOLSKJIOIIG-CQSZACIVSA-N	-1	0	292.339	0.298	20	30		CCEDRM
Cc1cc(C#N)c(=O)[n-]c1C(=O)N1C[C@@H](CO)OC[C@@H]1C	ZINC001446085377	930329676	/nfs/dbraw/zinc/32/96/76/930329676.db2.gz	LFLDIVIJTXWNSI-ONGXEEELSA-N	-1	0	291.307	0.189	20	30		CCEDRM
Cc1cc(C#N)c(=O)[n-]c1C(=O)N1CC[C@@](C)(C(N)=O)C1	ZINC001448275154	930866503	/nfs/dbraw/zinc/86/65/03/930866503.db2.gz	GEFDUTNRAVLCRS-CQSZACIVSA-N	-1	0	288.307	0.305	20	30		CCEDRM
COC(=O)C1(CNC(=O)[C@@](C)(C#N)CC(=O)[O-])CC1	ZINC001610965418	970814703	/nfs/dbraw/zinc/81/47/03/970814703.db2.gz	XXRGOBFUYJPDTN-LLVKDONJSA-N	-1	0	268.269	0.060	20	30		CCEDRM
Cn1nc(C(=O)[O-])cc1C(=O)N[C@]1(C#N)CC1(C)C	ZINC001601000442	970897465	/nfs/dbraw/zinc/89/74/65/970897465.db2.gz	JDQWYZUXUHJJPK-LBPRGKRZSA-N	-1	0	262.269	0.540	20	30		CCEDRM
N#CC1CCC(CNC(=O)COCC(=O)[O-])CC1	ZINC001601058552	970924134	/nfs/dbraw/zinc/92/41/34/970924134.db2.gz	OBHPLWSRIUNMBN-UHFFFAOYSA-N	-1	0	254.286	0.534	20	30		CCEDRM
N#CC1CCC(CNC(=O)N2CCO[C@@H](C(=O)[O-])C2)CC1	ZINC001601058014	970924905	/nfs/dbraw/zinc/92/49/05/970924905.db2.gz	GVSMZKRKERYNJC-HTAVTVPLSA-N	-1	0	295.339	0.811	20	30		CCEDRM
N#Cc1ccc(COC(=O)COCC(=O)[O-])c(F)c1	ZINC001601102690	970933514	/nfs/dbraw/zinc/93/35/14/970933514.db2.gz	WXBNUQONOJQRSR-UHFFFAOYSA-N	-1	0	267.212	0.842	20	30		CCEDRM
O=C([O-])CCCC=NN=C1NS(=O)(=O)c2ccccc21	ZINC001611425844	971045738	/nfs/dbraw/zinc/04/57/38/971045738.db2.gz	IDMBNFNPWYYBEO-UHFFFAOYSA-N	-1	0	295.320	0.966	20	30		CCEDRM
C#C[C@H](NC(=O)N[C@@H](C)CC(=O)[O-])C1CCOCC1	ZINC001602671411	971234215	/nfs/dbraw/zinc/23/42/15/971234215.db2.gz	COBUILKFDZDZOT-ONGXEEELSA-N	-1	0	268.313	0.577	20	30		CCEDRM
C#C[C@H]1COCCN1C(=O)Nc1cncc(C(=O)[O-])c1	ZINC001602675211	971246855	/nfs/dbraw/zinc/24/68/55/971246855.db2.gz	MOCUBKAFVCWZDV-NSHDSACASA-N	-1	0	275.264	0.646	20	30		CCEDRM
C#CCN(C(=O)[C@H]1CCCN(CC(=O)[O-])C1=O)C(C)(C)C	ZINC001602675587	971250598	/nfs/dbraw/zinc/25/05/98/971250598.db2.gz	BOBCVHKALYXOFW-NSHDSACASA-N	-1	0	294.351	0.570	20	30		CCEDRM
C#CCCN(CN1C[C@H](C(=O)[O-])CC1=O)CC(F)(F)F	ZINC001602675637	971251743	/nfs/dbraw/zinc/25/17/43/971251743.db2.gz	GAAHOPVDXSPRDS-SECBINFHSA-N	-1	0	292.257	0.765	20	30		CCEDRM
C#CCN(CC(=O)[O-])C(=O)[C@@H](C)OC[C@@H]1CCCO1	ZINC001602679135	971258242	/nfs/dbraw/zinc/25/82/42/971258242.db2.gz	KQZWBQNAVKRESY-MNOVXSKESA-N	-1	0	269.297	0.117	20	30		CCEDRM
C#CCN(CC(=O)[O-])C(=O)CCc1nc2cccnc2[nH]1	ZINC001602682134	971265752	/nfs/dbraw/zinc/26/57/52/971265752.db2.gz	HFOYKAPBZAEZDA-UHFFFAOYSA-N	-1	0	286.291	0.437	20	30		CCEDRM
C#CCN(CC(=O)[O-])C(=O)C1(c2ccccn2)CC1	ZINC001602682659	971269901	/nfs/dbraw/zinc/26/99/01/971269901.db2.gz	RZCLMODSPLKOEB-UHFFFAOYSA-N	-1	0	258.277	0.660	20	30		CCEDRM
C#CCN(CC(=O)[O-])C(=O)C1(COC)CCCC1	ZINC001602682838	971270507	/nfs/dbraw/zinc/27/05/07/971270507.db2.gz	VSGOJRZPNWFFIL-UHFFFAOYSA-N	-1	0	253.298	0.740	20	30		CCEDRM
C#CCN(CC(=O)[O-])C(=O)N[C@H](CC)c1noc(C)n1	ZINC001602683701	971275004	/nfs/dbraw/zinc/27/50/04/971275004.db2.gz	ITKLMSJBLCCQTD-SECBINFHSA-N	-1	0	280.284	0.559	20	30		CCEDRM
C#CCN(CC(=O)[O-])C(=O)Nc1ccc(C(=O)NC)cc1	ZINC001602688038	971287283	/nfs/dbraw/zinc/28/72/83/971287283.db2.gz	ALPXMNIRBPPXRB-UHFFFAOYSA-N	-1	0	289.291	0.598	20	30		CCEDRM
C#CCN(CC(=O)[O-])C(=O)c1cc(Cl)n(C)n1	ZINC001602691580	971296428	/nfs/dbraw/zinc/29/64/28/971296428.db2.gz	NPKXSWUOVSXQQE-UHFFFAOYSA-N	-1	0	255.661	0.234	20	30		CCEDRM
C#CCOc1cccc(NC(=O)[C@@H]2CC(C(=O)[O-])=NO2)c1	ZINC001602704291	971332865	/nfs/dbraw/zinc/33/28/65/971332865.db2.gz	BPKRXCYKOQNVNR-LBPRGKRZSA-N	-1	0	288.259	0.867	20	30		CCEDRM
C=CCC1(NC(=O)c2cc(C(=O)[O-])n[nH]2)CCOCC1	ZINC001602718175	971373109	/nfs/dbraw/zinc/37/31/09/971373109.db2.gz	FHDZONGGLIADRO-UHFFFAOYSA-N	-1	0	279.296	0.963	20	30		CCEDRM
C=CCN(CCOC)C(=O)[C@](C)(C#N)CC(=O)[O-]	ZINC001602722800	971389091	/nfs/dbraw/zinc/38/90/91/971389091.db2.gz	QEQCVIFXHMPSJW-LBPRGKRZSA-N	-1	0	254.286	0.652	20	30		CCEDRM
C=CCN1CC[C@@H](OC(=O)[C@](C)(C#N)CC(=O)[O-])C1=O	ZINC001602722978	971391972	/nfs/dbraw/zinc/39/19/72/971391972.db2.gz	DSRUDLQBPFZBFV-RNCFNFMXSA-N	-1	0	280.280	0.321	20	30		CCEDRM
CC#CC[C@@H](CO)NC(=O)[C@H](C(=O)[O-])C1CCCC1	ZINC001602735355	971419318	/nfs/dbraw/zinc/41/93/18/971419318.db2.gz	ZAOKLMFFDSTGJO-NWDGAFQWSA-N	-1	0	267.325	0.768	20	30		CCEDRM
CC[C@@H](CNS(=O)(=O)N(CC)CCC#N)C(=O)[O-]	ZINC001589554372	948774807	/nfs/dbraw/zinc/77/48/07/948774807.db2.gz	CQDHHXYYTBRWPI-VIFPVBQESA-N	-1	0	277.346	0.167	20	30		CCEDRM
CC[C@@H](CC#N)NS(=O)(=O)N1CCC(C(=O)[O-])CC1	ZINC000054176971	948929489	/nfs/dbraw/zinc/92/94/89/948929489.db2.gz	IBCJXHLZXPTULI-JTQLQIEISA-N	-1	0	289.357	0.310	20	30		CCEDRM
C[C@](C#N)(CC(=O)[O-])C(=O)NN1C[C@@H]2CCC[C@@H]2C1	ZINC001602781595	971525593	/nfs/dbraw/zinc/52/55/93/971525593.db2.gz	DBLMHKWZINPXTG-GBIKHYSHSA-N	-1	0	265.313	0.754	20	30		CCEDRM
C#CCN(CC(=O)[O-])C(=O)c1cc(OC)cc(OC)c1	ZINC000092477756	949147387	/nfs/dbraw/zinc/14/73/87/949147387.db2.gz	ZJOUTLCOVIYCTH-UHFFFAOYSA-N	-1	0	277.276	0.864	20	30		CCEDRM
C#CCN(CC(=O)[O-])C(=O)c1ccc([N+](=O)[O-])s1	ZINC000092477396	949147689	/nfs/dbraw/zinc/14/76/89/949147689.db2.gz	YXPUMJJTZIHYEB-UHFFFAOYSA-N	-1	0	268.250	0.816	20	30		CCEDRM
C#CCN(CC(=O)[O-])C(=O)[C@@H]1CC(=O)N(CC(C)C)C1	ZINC000092477856	949148063	/nfs/dbraw/zinc/14/80/63/949148063.db2.gz	GXONAQVQRCZECL-LLVKDONJSA-N	-1	0	280.324	0.037	20	30		CCEDRM
C#CCN(CC(=O)[O-])S(=O)(=O)Cc1cccc(C#N)c1	ZINC000092479623	949152976	/nfs/dbraw/zinc/15/29/76/949152976.db2.gz	KQSLUXOOMPCHBW-UHFFFAOYSA-N	-1	0	292.316	0.408	20	30		CCEDRM
CCC[C@@H](O)CCNC(=O)[C@](C)(C#N)CC(=O)[O-]	ZINC001589634309	949591663	/nfs/dbraw/zinc/59/16/63/949591663.db2.gz	OOIYKUXEOGUSDG-SKDRFNHKSA-N	-1	0	256.302	0.658	20	30		CCEDRM
CC(C)(C)[C@H](C(=O)[O-])C(=O)N1CC[C@@](O)(CC#N)C1	ZINC001602847478	971683379	/nfs/dbraw/zinc/68/33/79/971683379.db2.gz	MPTKDGCMGNTJGT-ZANVPECISA-N	-1	0	268.313	0.610	20	30		CCEDRM
CCOC(C)(C)CNC(=O)[C@](C)(C#N)CC(=O)[O-]	ZINC001591531524	951154883	/nfs/dbraw/zinc/15/48/83/951154883.db2.gz	FSYXEFVPVUDGTH-LBPRGKRZSA-N	-1	0	256.302	0.922	20	30		CCEDRM
C#CCN1CCN(c2nc(C(=O)[O-])ccc2[N+](=O)[O-])CC1	ZINC000383786016	971893734	/nfs/dbraw/zinc/89/37/34/971893734.db2.gz	YMDSSIRYTUIHSR-UHFFFAOYSA-N	-1	0	290.279	0.443	20	30		CCEDRM
C#CCNS(=O)(=O)c1ccc(C(=O)[O-])cc1C	ZINC000384047912	971908682	/nfs/dbraw/zinc/90/86/82/971908682.db2.gz	WEFHSNOQERNGCE-UHFFFAOYSA-N	-1	0	253.279	0.605	20	30		CCEDRM
C[C@H]1CC[C@H](C(=O)[O-])CN1Cn1cccc(C#N)c1=O	ZINC001589307576	953753439	/nfs/dbraw/zinc/75/34/39/953753439.db2.gz	ACMDSWYOEZRENM-JQWIXIFHSA-N	-1	0	275.308	0.863	20	30		CCEDRM
C[C@@H]1CCN(C(=O)[C@@](C)(C#N)CC(=O)[O-])CC[S@]1=O	ZINC001589335964	953992803	/nfs/dbraw/zinc/99/28/03/953992803.db2.gz	IJKFAOHTRCFKCC-DPXNYUHVSA-N	-1	0	286.353	0.360	20	30		CCEDRM
CC[C@@H](C#N)OC(=O)[C@@H]1CCCN(CC(=O)[O-])C1=O	ZINC001589426979	954636720	/nfs/dbraw/zinc/63/67/20/954636720.db2.gz	VRCRGIXTCKMAJV-DTWKUNHWSA-N	-1	0	268.269	0.155	20	30		CCEDRM
CC[C@@H](CNC(=O)Cc1ccc(C#N)nc1)C(=O)[O-]	ZINC001589526025	955116125	/nfs/dbraw/zinc/11/61/25/955116125.db2.gz	MNPHBFCDTFUTDW-JTQLQIEISA-N	-1	0	261.281	0.723	20	30		CCEDRM
COC(=O)CCN(CC#N)C(=O)c1ccc(C(=O)[O-])nc1	ZINC001593835594	955177994	/nfs/dbraw/zinc/17/79/94/955177994.db2.gz	CJINXMZTTXCSAI-UHFFFAOYSA-N	-1	0	291.263	0.309	20	30		CCEDRM
COC(=O)CCN(CC(=O)[O-])C(=O)CCCC#N	ZINC001593839613	955345944	/nfs/dbraw/zinc/34/59/44/955345944.db2.gz	NOLKNZOTBPBLAJ-UHFFFAOYSA-N	-1	0	256.258	0.157	20	30		CCEDRM
Cc1onc(CC(=O)NC[C@@H](C)C(=O)[O-])c1C#N	ZINC001594510126	955378085	/nfs/dbraw/zinc/37/80/85/955378085.db2.gz	CMWGUVDYXBOSRI-ZCFIWIBFSA-N	-1	0	251.242	0.234	20	30		CCEDRM
Cc1onc(CC(=O)N2CCC[C@H](C(=O)[O-])C2)c1C#N	ZINC001594510094	955378124	/nfs/dbraw/zinc/37/81/24/955378124.db2.gz	ATLPDGBJYVUJSD-VIFPVBQESA-N	-1	0	277.280	0.720	20	30		CCEDRM
Cc1onc(CC(=O)N2C[C@@H](C)C[C@H](C(=O)[O-])C2)c1C#N	ZINC001594510165	955378559	/nfs/dbraw/zinc/37/85/59/955378559.db2.gz	FRLZHEUZQABUNH-WPRPVWTQSA-N	-1	0	291.307	0.966	20	30		CCEDRM
COC(=O)CC[C@H](NC(=O)C1(C#N)CC2(CC2)C1)C(=O)[O-]	ZINC001593846880	955427964	/nfs/dbraw/zinc/42/79/64/955427964.db2.gz	ZZNFPVPHKXGATI-VIFPVBQESA-N	-1	0	294.307	0.593	20	30		CCEDRM
C[C@H](CN(C)C(=O)C(=O)Nc1ccc(C#N)cc1)C(=O)[O-]	ZINC001589022113	955480656	/nfs/dbraw/zinc/48/06/56/955480656.db2.gz	KJQVTECRZHLEFG-SECBINFHSA-N	-1	0	289.291	0.676	20	30		CCEDRM
Cn1cc(C#N)c(NC(=O)NCCC(C)(C)C(=O)[O-])n1	ZINC001594525727	955500429	/nfs/dbraw/zinc/50/04/29/955500429.db2.gz	MMFKAOOJRIASOU-UHFFFAOYSA-N	-1	0	279.300	0.914	20	30		CCEDRM
C[C@@H](CNC(=O)CNC(=O)c1ccc(C#N)cc1)C(=O)[O-]	ZINC001589046174	955629309	/nfs/dbraw/zinc/62/93/09/955629309.db2.gz	VOXUUSXVLDWFFV-VIFPVBQESA-N	-1	0	289.291	0.125	20	30		CCEDRM
N#C[C@H](C(=O)CCCC(=O)[O-])C(=O)Nc1ccccn1	ZINC001594602693	956149438	/nfs/dbraw/zinc/14/94/38/956149438.db2.gz	XUZMYWIIPXKJOT-SECBINFHSA-N	-1	0	275.264	0.984	20	30		CCEDRM
N#CC1(Cn2cc(CN3CCC(C(=O)[O-])CC3)nn2)CC1	ZINC001594602847	956152806	/nfs/dbraw/zinc/15/28/06/956152806.db2.gz	SGIVDHSYTJKAFC-UHFFFAOYSA-N	-1	0	289.339	0.878	20	30		CCEDRM
N#CC1CN(C(=O)[C@@H]2CO[C@@H](CCC(=O)[O-])C2)C1	ZINC001594605647	956169685	/nfs/dbraw/zinc/16/96/85/956169685.db2.gz	IKFWTLZOCULLFS-UWVGGRQHSA-N	-1	0	252.270	0.238	20	30		CCEDRM
N#CCCCC(=O)OCc1cn(CC(=O)[O-])nn1	ZINC001594606202	956178270	/nfs/dbraw/zinc/17/82/70/956178270.db2.gz	QJGWGUJVJZPRJP-UHFFFAOYSA-N	-1	0	252.230	0.100	20	30		CCEDRM
N#CCCCOC(=O)[C@@H]1CCCN(CC(=O)[O-])C1=O	ZINC001594608820	956187392	/nfs/dbraw/zinc/18/73/92/956187392.db2.gz	BYPNYBGFCRBEPN-SECBINFHSA-N	-1	0	268.269	0.157	20	30		CCEDRM
N#Cc1cc(C(=O)N2CCO[C@H](C(=O)[O-])C2)ccc1F	ZINC001594613872	956227320	/nfs/dbraw/zinc/22/73/20/956227320.db2.gz	GGOJAOPREPFEBY-NSHDSACASA-N	-1	0	278.239	0.623	20	30		CCEDRM
N#Cc1cc2c(nc1NC(=O)COCC(=O)[O-])CCCC2	ZINC001594617499	956249804	/nfs/dbraw/zinc/24/98/04/956249804.db2.gz	NJSTXJSOCFOYMS-UHFFFAOYSA-N	-1	0	289.291	0.872	20	30		CCEDRM
C[C@](O)(CNC(=O)Cc1cccc(C#N)c1)C(=O)[O-]	ZINC001589140393	956264623	/nfs/dbraw/zinc/26/46/23/956264623.db2.gz	KTNPTHXNADOYRD-ZDUSSCGKSA-N	-1	0	262.265	0.053	20	30		CCEDRM
N#Cc1ccc(C[C@H](C#N)C(=O)NCC(=O)[O-])cc1	ZINC001594618642	956265695	/nfs/dbraw/zinc/26/56/95/956265695.db2.gz	UPPYOTBYRBKBBL-LLVKDONJSA-N	-1	0	257.249	0.441	20	30		CCEDRM
C[C@](O)(CNC(=O)c1ncc(C#N)cc1Cl)C(=O)[O-]	ZINC001589147210	956304170	/nfs/dbraw/zinc/30/41/70/956304170.db2.gz	QWMTTZFBUFDHIK-NSHDSACASA-N	-1	0	283.671	0.172	20	30		CCEDRM
N#Cc1cccc(OCC(=O)Nc2c[nH]nc2C(=O)[O-])c1	ZINC001594628399	956330284	/nfs/dbraw/zinc/33/02/84/956330284.db2.gz	OZKSAOREHPWKIY-UHFFFAOYSA-N	-1	0	286.247	0.997	20	30		CCEDRM
C[C@H](OC(=O)[C@@H]1CC[C@H]1C(=O)[O-])C(=O)N(C)CCC#N	ZINC001589159289	956393580	/nfs/dbraw/zinc/39/35/80/956393580.db2.gz	KDIFOVNLAPNYCN-IVZWLZJFSA-N	-1	0	282.296	0.401	20	30		CCEDRM
COC[C@@]1(C(=O)[O-])CCN(C(=O)CC2(C#N)CC2)C1	ZINC001593961735	956491126	/nfs/dbraw/zinc/49/11/26/956491126.db2.gz	OBBQOARFHYYHRR-CYBMUJFWSA-N	-1	0	266.297	0.630	20	30		CCEDRM
CC1(C#N)CCN(C(=O)[C@@]2(C(=O)[O-])CCCO2)CC1	ZINC001589181304	956521794	/nfs/dbraw/zinc/52/17/94/956521794.db2.gz	FHHOHJLWMCCZTK-CYBMUJFWSA-N	-1	0	266.297	0.772	20	30		CCEDRM
C[C@@]1(C#N)CCN(C(=O)NCCOCCOCC(=O)[O-])C1	ZINC001589181839	956529127	/nfs/dbraw/zinc/52/91/27/956529127.db2.gz	RGLJMQMURBPNAP-ZDUSSCGKSA-N	-1	0	299.327	0.049	20	30		CCEDRM
O=C([O-])[C@]12COC[C@H]1CN(C(=O)C#Cc1cccs1)C2	ZINC001594668720	956601555	/nfs/dbraw/zinc/60/15/55/956601555.db2.gz	ZDVZTAHYMGAUTR-QMTHXVAHSA-N	-1	0	291.328	0.659	20	30		CCEDRM
C[C@@H](CC(=O)[O-])NC(=O)N1CCN(C2CC2)[C@@H](C#N)C1	ZINC001603124951	972211158	/nfs/dbraw/zinc/21/11/58/972211158.db2.gz	APUJRYJALZITOF-ONGXEEELSA-N	-1	0	280.328	0.231	20	30		CCEDRM
COCCN(CC(=O)[O-])C(=O)C1(C#N)CCSCC1	ZINC001593997624	956908775	/nfs/dbraw/zinc/90/87/75/956908775.db2.gz	VANQTWGJXAMHHJ-UHFFFAOYSA-N	-1	0	286.353	0.583	20	30		CCEDRM
C[C@H](CNC(=O)N1C[C@H](C)N(CC#N)[C@@H](C)C1)C(=O)[O-]	ZINC001603174813	972272729	/nfs/dbraw/zinc/27/27/29/972272729.db2.gz	XSHFGVHTAPWPKM-VWYCJHECSA-N	-1	0	282.344	0.335	20	30		CCEDRM
C#CC(C)(C)NS(=O)(=O)c1cc(C(=O)[O-])oc1C	ZINC000070119187	957661465	/nfs/dbraw/zinc/66/14/65/957661465.db2.gz	DRHVMPGWEJFTGK-UHFFFAOYSA-N	-1	0	271.294	0.976	20	30		CCEDRM
C=C(C)[C@H]1OCC[C@H]1CNC(=O)COCC(=O)[O-]	ZINC001332187868	957752290	/nfs/dbraw/zinc/75/22/90/957752290.db2.gz	SQRGRLLLGUVYOK-JOYOIKCWSA-N	-1	0	257.286	0.185	20	30		CCEDRM
C#CC1(O)CN(C(=O)Nc2ccc(C(=O)[O-])cc2F)C1	ZINC001588385307	957969566	/nfs/dbraw/zinc/96/95/66/957969566.db2.gz	DDNFLHULFMDXMG-UHFFFAOYSA-N	-1	0	278.239	0.736	20	30		CCEDRM
C#CC1(NC(=O)[C@H]2CCCN(CC(=O)[O-])C2=O)CCCC1	ZINC001588386373	957977714	/nfs/dbraw/zinc/97/77/14/957977714.db2.gz	PZYPWLNOEFXNDA-LLVKDONJSA-N	-1	0	292.335	0.372	20	30		CCEDRM
C#C[C@H](CC)OC(=O)C1(C(=O)[O-])CCS(=O)(=O)CC1	ZINC001588388586	957996518	/nfs/dbraw/zinc/99/65/18/957996518.db2.gz	VGDCIGYFXHSFIW-SECBINFHSA-N	-1	0	288.321	0.221	20	30		CCEDRM
C#CC[C@@H](CCOC)NC(=O)NC[C@H](C)C(=O)[O-]	ZINC001588389492	958009104	/nfs/dbraw/zinc/00/91/04/958009104.db2.gz	VSBZITUNKFPUNA-UWVGGRQHSA-N	-1	0	256.302	0.435	20	30		CCEDRM
C#CC[C@@H]1CCCN(C(=O)C(=O)N[C@H]2C[C@H](C(=O)[O-])C2)C1	ZINC001588391268	958021597	/nfs/dbraw/zinc/02/15/97/958021597.db2.gz	DRRFDAIODMGLPD-IJLUTSLNSA-N	-1	0	292.335	0.228	20	30		CCEDRM
C#CCCCC(=O)N1C[C@@H]2COC[C@]2(C(=O)[O-])C1	ZINC001588391314	958022373	/nfs/dbraw/zinc/02/23/73/958022373.db2.gz	FIYCHPGOWLCTKD-ZWNOBZJWSA-N	-1	0	251.282	0.350	20	30		CCEDRM
C#CC[C@H]1CCCN(C(=O)C(=O)NC[C@@H](C)C(=O)[O-])C1	ZINC001588391684	958026403	/nfs/dbraw/zinc/02/64/03/958026403.db2.gz	LSXZNEHBVNZAPG-MNOVXSKESA-N	-1	0	280.324	0.085	20	30		CCEDRM
C#CCC[C@@H](O)CNC(=O)NCCCCCC(=O)[O-]	ZINC001588391856	958028863	/nfs/dbraw/zinc/02/88/63/958028863.db2.gz	PDZLCKXWSFQINC-LLVKDONJSA-N	-1	0	270.329	0.705	20	30		CCEDRM
C#CCN(CC(=O)NCC(=O)[O-])C(=O)OC(C)(C)C	ZINC001588394375	958035092	/nfs/dbraw/zinc/03/50/92/958035092.db2.gz	BRBDNHXYQJIWJC-UHFFFAOYSA-N	-1	0	270.285	0.058	20	30		CCEDRM
C#CCN(CC(=O)[O-])C(=O)[C@@H](O)c1cccc([N+](=O)[O-])c1	ZINC001588397831	958064642	/nfs/dbraw/zinc/06/46/42/958064642.db2.gz	VVEGZPUPFDNHTO-LBPRGKRZSA-N	-1	0	292.247	0.175	20	30		CCEDRM
C#CCN(CC(=O)[O-])C(=O)/C=C\c1cnc(OC)nc1	ZINC001588398583	958066908	/nfs/dbraw/zinc/06/69/08/958066908.db2.gz	ACBRFPKMBZPLJU-PLNGDYQASA-N	-1	0	275.264	0.045	20	30		CCEDRM
C#CCN(CC(=O)[O-])C(=O)/C=C/c1cccnc1C	ZINC001588399711	958075754	/nfs/dbraw/zinc/07/57/54/958075754.db2.gz	NWKPNFRIQQCAAO-VOTSOKGWSA-N	-1	0	258.277	0.950	20	30		CCEDRM
C#CCN(CC(=O)[O-])C(=O)[C@]12C[C@H]1COC2(C)C	ZINC001588400089	958077758	/nfs/dbraw/zinc/07/77/58/958077758.db2.gz	RGGNFBYIIWMBDM-ZANVPECISA-N	-1	0	251.282	0.348	20	30		CCEDRM
C#CCN(CC(=O)[O-])C(=O)CC1(O)CCCCC1	ZINC001588402002	958087539	/nfs/dbraw/zinc/08/75/39/958087539.db2.gz	IQSPKNZCCWHJHP-UHFFFAOYSA-N	-1	0	253.298	0.618	20	30		CCEDRM
C#CCN(CC(=O)[O-])C(=O)C[N@@H+](C)CC(C)(C)C	ZINC001588402176	958088567	/nfs/dbraw/zinc/08/85/67/958088567.db2.gz	NOYJXUDFTZUVKA-UHFFFAOYSA-N	-1	0	254.330	0.511	20	30		CCEDRM
C#CCN(CC(=O)[O-])C(=O)COCc1ccncc1	ZINC001588406572	958095059	/nfs/dbraw/zinc/09/50/59/958095059.db2.gz	AHWLRSJLJGYWJH-UHFFFAOYSA-N	-1	0	262.265	0.145	20	30		CCEDRM
C#CCN(CC(=O)[O-])C(=O)C[C@@H]1CCCC[C@H]1O	ZINC001588406575	958095475	/nfs/dbraw/zinc/09/54/75/958095475.db2.gz	AOELLNLCOPKXSE-WDEREUQCSA-N	-1	0	253.298	0.474	20	30		CCEDRM
C#CCN(CC(=O)[O-])C(=O)Cc1nccc(OCCC)n1	ZINC001588407482	958099869	/nfs/dbraw/zinc/09/98/69/958099869.db2.gz	PFKVMMORHSRXLQ-UHFFFAOYSA-N	-1	0	291.307	0.354	20	30		CCEDRM
C#CCN(CC(=O)[O-])C(=O)Cc1sc(C)nc1C	ZINC001588407819	958103649	/nfs/dbraw/zinc/10/36/49/958103649.db2.gz	WHXUOOKNZVMVTE-UHFFFAOYSA-N	-1	0	266.322	0.849	20	30		CCEDRM
C#CCN(CC(=O)[O-])C(=O)Cc1c(C)cc(C)[nH]c1=O	ZINC001588407856	958104301	/nfs/dbraw/zinc/10/43/01/958104301.db2.gz	XFNOYMLRVURGHJ-UHFFFAOYSA-N	-1	0	276.292	0.493	20	30		CCEDRM
C#CCN(CC(=O)[O-])C(=O)NCCCC(C)(C)CO	ZINC001588408349	958107506	/nfs/dbraw/zinc/10/75/06/958107506.db2.gz	ISGKFWLHOUXICC-UHFFFAOYSA-N	-1	0	270.329	0.515	20	30		CCEDRM
C#CCN(CC(=O)[O-])C(=O)NCc1cccc(N(C)C)c1	ZINC001588409268	958125032	/nfs/dbraw/zinc/12/50/32/958125032.db2.gz	UZJNJKANIUQITE-UHFFFAOYSA-N	-1	0	289.335	0.982	20	30		CCEDRM
C#CCN(CC(=O)[O-])C(=O)N[C@@H]1C[N@H+](C2CC2)C[C@@H]1C	ZINC001588410134	958135754	/nfs/dbraw/zinc/13/57/54/958135754.db2.gz	PLEULUOQXTTYFA-CMPLNLGQSA-N	-1	0	279.340	0.199	20	30		CCEDRM
C#CCN(CC(=O)[O-])C(=O)N[C@H]1C[C@H](SC)C1	ZINC001588410952	958143851	/nfs/dbraw/zinc/14/38/51/958143851.db2.gz	BIRRIWQBSOGZAW-KYZUINATSA-N	-1	0	256.327	0.610	20	30		CCEDRM
C#CCN(CC(=O)[O-])C(=O)N[C@H]1CC[C@@H](C(=O)OC)C1	ZINC001588411172	958146114	/nfs/dbraw/zinc/14/61/14/958146114.db2.gz	ONNGTLCHJDBLFI-ZJUUUORDSA-N	-1	0	282.296	0.058	20	30		CCEDRM
C#CCN(CC(=O)[O-])C(=O)c1ccc(O)c(F)c1	ZINC001588415912	958159554	/nfs/dbraw/zinc/15/95/54/958159554.db2.gz	CRTYPVOUFYANGZ-UHFFFAOYSA-N	-1	0	251.213	0.691	20	30		CCEDRM
C#CCN(CC(=O)[O-])C(=O)c1ccc(C(=O)OC)cn1	ZINC001588416252	958162723	/nfs/dbraw/zinc/16/27/23/958162723.db2.gz	KOZVFEPIAFUBIT-UHFFFAOYSA-N	-1	0	276.248	0.028	20	30		CCEDRM
C#CCN(CC(=O)[O-])C(=O)[C@H](CC(C)C)NC(=O)OC	ZINC001588417345	958170950	/nfs/dbraw/zinc/17/09/50/958170950.db2.gz	JLOIMGJWAGDHCM-JTQLQIEISA-N	-1	0	284.312	0.304	20	30		CCEDRM
C#CCN(CC(=O)[O-])C(=O)[C@@H]1C[C@H]1OC(C)(C)C	ZINC001588417459	958172749	/nfs/dbraw/zinc/17/27/49/958172749.db2.gz	PHYVGXVFMMOWBW-NXEZZACHSA-N	-1	0	253.298	0.736	20	30		CCEDRM
C#CCN(CC(=O)[O-])C(=O)c1ccnn1CC(F)(F)F	ZINC001588418832	958187292	/nfs/dbraw/zinc/18/72/92/958187292.db2.gz	GUGCYQCXBCWRFO-UHFFFAOYSA-N	-1	0	289.213	0.605	20	30		CCEDRM
C#CCN(CC(=O)[O-])S(=O)(=O)CCC[C@@H]1CCOC1	ZINC001588425550	958225986	/nfs/dbraw/zinc/22/59/86/958225986.db2.gz	XRIQOGRNTFDGPM-LLVKDONJSA-N	-1	0	289.353	0.153	20	30		CCEDRM
N#Cc1ccc(CNC(=O)NCCOCC(=O)[O-])cc1	ZINC000093230018	958240840	/nfs/dbraw/zinc/24/08/40/958240840.db2.gz	YLPMQWIEJKAKHG-UHFFFAOYSA-N	-1	0	277.280	0.459	20	30		CCEDRM
C#CCN1CCC[C@H](NC(=O)N[C@H]2CCC[C@H]2C(=O)[O-])C1	ZINC001588430996	958264911	/nfs/dbraw/zinc/26/49/11/958264911.db2.gz	RPQUAOOHLLAABT-XQQFMLRXSA-N	-1	0	293.367	0.637	20	30		CCEDRM
C#CCSCCNC(=O)c1cc(C(=O)[O-])n[nH]1	ZINC001588432879	958289474	/nfs/dbraw/zinc/28/94/74/958289474.db2.gz	GMJPCBYQVHXEHS-UHFFFAOYSA-N	-1	0	253.283	0.204	20	30		CCEDRM
C=C(C)[C@H](C)OC(=O)C1(C(=O)[O-])CCS(=O)(=O)CC1	ZINC001588438952	958307674	/nfs/dbraw/zinc/30/76/74/958307674.db2.gz	ABWZURLWCRQSRI-VIFPVBQESA-N	-1	0	290.337	0.774	20	30		CCEDRM
C#Cc1cncc(C(=O)Nc2cc(C(=O)[O-])n[nH]2)c1	ZINC001588439186	958312725	/nfs/dbraw/zinc/31/27/25/958312725.db2.gz	IRACVRDZCWEWKH-UHFFFAOYSA-N	-1	0	256.221	0.737	20	30		CCEDRM
C=C(C)COCCNC(=O)[C@H]1CO[C@@H](CCC(=O)[O-])C1	ZINC001588439811	958324970	/nfs/dbraw/zinc/32/49/70/958324970.db2.gz	HJNQOHBRGQOOMJ-NEPJUHHUSA-N	-1	0	285.340	0.965	20	30		CCEDRM
C=C[C@@H](COC)NC(=O)N1CCC[C@H](C(=O)[O-])C1	ZINC001588451071	958405036	/nfs/dbraw/zinc/40/50/36/958405036.db2.gz	LLEMHGHEDNMXNH-UWVGGRQHSA-N	-1	0	256.302	0.694	20	30		CCEDRM
C=CCC(F)(F)C(=O)N(CCC(=O)OC)CC(=O)[O-]	ZINC001588452399	958422200	/nfs/dbraw/zinc/42/22/00/958422200.db2.gz	AIQANTFPUVMVOV-UHFFFAOYSA-N	-1	0	279.239	0.674	20	30		CCEDRM
C=C[C@H](O)C(=O)N[C@@H](C)[C@@H]1C[C@H](C(=O)[O-])C1(C)C	ZINC001588452340	958422343	/nfs/dbraw/zinc/42/23/43/958422343.db2.gz	NXQASRCXHANSLK-QEYWKRMJSA-N	-1	0	255.314	0.785	20	30		CCEDRM
C=CC[C@H](CO)NC(=O)c1ccc(C(=O)[O-])nc1	ZINC001588452524	958423474	/nfs/dbraw/zinc/42/34/74/958423474.db2.gz	CWLNAVXWRYMUEF-SECBINFHSA-N	-1	0	250.254	0.447	20	30		CCEDRM
C=C[C@H](O)c1nnc(N2CC[C@@H](C(=O)[O-])C2)n1CCOC	ZINC001588453378	958436938	/nfs/dbraw/zinc/43/69/38/958436938.db2.gz	YCGQYHQDUJBMCK-ZJUUUORDSA-N	-1	0	296.327	0.055	20	30		CCEDRM
C=CC[C@H](CO)NC(=O)[C@@H]1CO[C@H](CCC(=O)[O-])C1	ZINC001588453499	958440116	/nfs/dbraw/zinc/44/01/16/958440116.db2.gz	ZDNJGUXFWYWNEC-HBNTYKKESA-N	-1	0	271.313	0.310	20	30		CCEDRM
C=CCC[C@H](C)OC(=O)c1cn(CC(=O)[O-])nn1	ZINC001588457327	958448190	/nfs/dbraw/zinc/44/81/90/958448190.db2.gz	VFKOQKKULUIXOC-QMMMGPOBSA-N	-1	0	253.258	0.874	20	30		CCEDRM
C=CCCN(C)C(=O)C(=O)Nc1cncc(C(=O)[O-])c1	ZINC001588459727	958469186	/nfs/dbraw/zinc/46/91/86/958469186.db2.gz	ADROOAMRMWZVNH-UHFFFAOYSA-N	-1	0	277.280	0.753	20	30		CCEDRM
C=CCCOC(=O)c1cccn(CC(=O)[O-])c1=O	ZINC001588460144	958473652	/nfs/dbraw/zinc/47/36/52/958473652.db2.gz	WSSCCZUDPSWGTO-UHFFFAOYSA-N	-1	0	251.238	0.666	20	30		CCEDRM
C#CCN(CC(=O)[O-])[C@@H]1CCN(c2ccccc2)C1=O	ZINC001573320836	958478726	/nfs/dbraw/zinc/47/87/26/958478726.db2.gz	PAKKQYUHFHARSN-CYBMUJFWSA-N	-1	0	272.304	0.812	20	30		CCEDRM
C=CC[C@H](NC(=O)[C@H](C(=O)[O-])C1CC1)C(=O)OCC	ZINC001573328321	958497783	/nfs/dbraw/zinc/49/77/83/958497783.db2.gz	GBNBINCPXPUGJV-VHSXEESVSA-N	-1	0	269.297	0.721	20	30		CCEDRM
C=CCOC[C@@H]1NC(=O)N(CCC(C)(C)C(=O)[O-])C1=O	ZINC001588465190	958498392	/nfs/dbraw/zinc/49/83/92/958498392.db2.gz	PFYSKTPMLQMSRU-VIFPVBQESA-N	-1	0	284.312	0.610	20	30		CCEDRM
C=CCO[C@@H]1CCN(C(=O)[C@@](C)(C#N)CC(=O)[O-])C1	ZINC001588465226	958498429	/nfs/dbraw/zinc/49/84/29/958498429.db2.gz	RGICWKQBIPDGFD-ZWNOBZJWSA-N	-1	0	266.297	0.794	20	30		CCEDRM
C=CCNC(=O)NC(=O)[C@@H](C)OC(=O)C(C)(C)C(=O)[O-]	ZINC001588465390	958502111	/nfs/dbraw/zinc/50/21/11/958502111.db2.gz	HQYPGXUOZIECDQ-SSDOTTSWSA-N	-1	0	286.284	0.041	20	30		CCEDRM
C=CCn1c([C@@H](C)CO)nnc1N1CCC(C(=O)[O-])CC1	ZINC001588470165	958523919	/nfs/dbraw/zinc/52/39/19/958523919.db2.gz	FWORRCCGDKVQFT-JTQLQIEISA-N	-1	0	294.355	0.861	20	30		CCEDRM
CC(=O)NCCN(C(=O)CC(C)(C)C#N)[C@H](C)C(=O)[O-]	ZINC001573348471	958553909	/nfs/dbraw/zinc/55/39/09/958553909.db2.gz	DVLXCXBJUBPQOF-SECBINFHSA-N	-1	0	283.328	0.364	20	30		CCEDRM
C=CCn1cc(C(=O)Nc2cncc(C(=O)[O-])c2)nn1	ZINC001588475037	958560649	/nfs/dbraw/zinc/56/06/49/958560649.db2.gz	UWOCCGFTQZQUAU-UHFFFAOYSA-N	-1	0	273.252	0.810	20	30		CCEDRM
C=C[C@@H]1OCC[C@H]1Cn1nnnc1N1CC[C@H](C(=O)[O-])C1	ZINC001588478307	958563676	/nfs/dbraw/zinc/56/36/76/958563676.db2.gz	DQLRKGMDUJBWKU-DCAQKATOSA-N	-1	0	293.327	0.175	20	30		CCEDRM
C=C[C@@H]1OCC[C@H]1C(=O)N1CC[C@](COC)(C(=O)[O-])C1	ZINC001588478387	958564940	/nfs/dbraw/zinc/56/49/40/958564940.db2.gz	KNOMXDMNRMOHCF-SUNKGSAMSA-N	-1	0	283.324	0.527	20	30		CCEDRM
CC#CCNC(=O)C(=O)Nc1ccc(C(=O)[O-])cc1F	ZINC001588478834	958574122	/nfs/dbraw/zinc/57/41/22/958574122.db2.gz	MJUFVBKFFHRNNR-UHFFFAOYSA-N	-1	0	278.239	0.602	20	30		CCEDRM
COCCN(CCC#N)c1ncc(C(=O)[O-])cn1	ZINC000126477385	958595894	/nfs/dbraw/zinc/59/58/94/958595894.db2.gz	DSEUNUPLDJVJGW-UHFFFAOYSA-N	-1	0	250.258	0.541	20	30		CCEDRM
CC#CCS(=O)(=O)c1cccc(C(=O)NCC(=O)[O-])c1	ZINC001588481646	958596362	/nfs/dbraw/zinc/59/63/62/958596362.db2.gz	YQTHDKBEYJXYJP-UHFFFAOYSA-N	-1	0	295.316	0.298	20	30		CCEDRM
C[C@](C#N)(CC(=O)[O-])C(=O)Nc1ccc(=O)[nH]n1	ZINC001573362673	958599866	/nfs/dbraw/zinc/59/98/66/958599866.db2.gz	DNYXCVWEGPMGEX-SNVBAGLBSA-N	-1	0	250.214	0.125	20	30		CCEDRM
Cc1ccc(S(=O)(=O)NCCC(=O)[O-])c(C#N)c1	ZINC001594377299	958604264	/nfs/dbraw/zinc/60/42/64/958604264.db2.gz	XRVFVCKNVAHSQT-UHFFFAOYSA-N	-1	0	268.294	0.620	20	30		CCEDRM
C[C@@](C#N)(CC(=O)[O-])C(=O)N[C@@H]1CCC2(C1)OCCO2	ZINC001573364227	958613234	/nfs/dbraw/zinc/61/32/34/958613234.db2.gz	OGMSXYINNURLQC-SKDRFNHKSA-N	-1	0	282.296	0.403	20	30		CCEDRM
CC(C)(C#N)CNC(=O)N1C[C@H]2COC[C@@]2(C(=O)[O-])C1	ZINC001573382202	958670385	/nfs/dbraw/zinc/67/03/85/958670385.db2.gz	VALPKIBJDPZHSG-ZANVPECISA-N	-1	0	281.312	0.279	20	30		CCEDRM
N#CCCNS(=O)(=O)c1scnc1C(=O)[O-]	ZINC000129344578	958699579	/nfs/dbraw/zinc/69/95/79/958699579.db2.gz	XXWONLDIMPYPGH-UHFFFAOYSA-N	-1	0	261.284	0.033	20	30		CCEDRM
C#CCNCC(=O)Nc1cccc(CCC(=O)[O-])c1	ZINC000134677562	958847369	/nfs/dbraw/zinc/84/73/69/958847369.db2.gz	CTUZSEXTAJWMDD-UHFFFAOYSA-N	-1	0	260.293	0.865	20	30		CCEDRM
C[C@](C#N)(CC(=O)[O-])C(=O)N1CCN(C(=O)C2CC2)C1	ZINC001588537889	958935874	/nfs/dbraw/zinc/93/58/74/958935874.db2.gz	AFSZSDRVMRFHNI-CYBMUJFWSA-N	-1	0	279.296	0.029	20	30		CCEDRM
C[C@@](C#N)(CC(=O)[O-])C(=O)N[C@H](CO)c1ccsc1	ZINC001588538607	958942279	/nfs/dbraw/zinc/94/22/79/958942279.db2.gz	LHRLOWDWBNPECC-SKDRFNHKSA-N	-1	0	282.321	0.902	20	30		CCEDRM
C[C@@](C#N)(CC(=O)[O-])C(=O)N[C@@H](CO)CC(F)F	ZINC001588538532	958942911	/nfs/dbraw/zinc/94/29/11/958942911.db2.gz	KCXIYALKVZXFJJ-LDWIPMOCSA-N	-1	0	264.228	0.123	20	30		CCEDRM
C[C@](C#N)(CC(=O)[O-])C(=O)OCC[C@H]1CCOC1	ZINC001588539828	958953179	/nfs/dbraw/zinc/95/31/79/958953179.db2.gz	BHPKJKQJBRKNPC-BXKDBHETSA-N	-1	0	255.270	0.961	20	30		CCEDRM
C[C@@](C#N)(CC(=O)[O-])C(=O)OC[C@@H]1CN(C2CC2)C(=O)O1	ZINC001588540037	958957092	/nfs/dbraw/zinc/95/70/92/958957092.db2.gz	MSJZASGMGDTOKB-ZANVPECISA-N	-1	0	296.279	0.517	20	30		CCEDRM
C[C@@](C#N)(NC(=O)CN1CCC[C@@]1(C)C(=O)[O-])C1CC1	ZINC001588543994	958987082	/nfs/dbraw/zinc/98/70/82/958987082.db2.gz	XLBQLRIIIQQIRQ-KBPBESRZSA-N	-1	0	279.340	0.734	20	30		CCEDRM
C[C@@H](C(=O)N1CCC[C@]1(C)C(=O)[O-])n1cnc(C#N)n1	ZINC001588546999	959001389	/nfs/dbraw/zinc/00/13/89/959001389.db2.gz	FBDHFBQYFDVZIG-QPUJVOFHSA-N	-1	0	277.284	0.176	20	30		CCEDRM
C#CC[C@H](NC(=O)c1ccncc1Cl)C(=O)[O-]	ZINC000149716816	959024054	/nfs/dbraw/zinc/02/40/54/959024054.db2.gz	PEJJKTDRKBPDTK-VIFPVBQESA-N	-1	0	252.657	0.941	20	30		CCEDRM
C#CC[C@H](NC(=O)c1ccc(C#N)c(C)n1)C(=O)[O-]	ZINC000149730062	959026201	/nfs/dbraw/zinc/02/62/01/959026201.db2.gz	KTBLWYBDVAMBIV-NSHDSACASA-N	-1	0	257.249	0.468	20	30		CCEDRM
CC(C)(C#N)CNC(=O)[C@H]1CO[C@H](CCC(=O)[O-])C1	ZINC001588607871	959496803	/nfs/dbraw/zinc/49/68/03/959496803.db2.gz	WTPAWIKXJOGZDA-NXEZZACHSA-N	-1	0	268.313	0.922	20	30		CCEDRM
Cc1nnc(SCC(=O)C(=O)[O-])c(C#N)c1C	ZINC001594494646	959737611	/nfs/dbraw/zinc/73/76/11/959737611.db2.gz	KWONGXLFGXCWCI-UHFFFAOYSA-N	-1	0	251.267	0.711	20	30		CCEDRM
C#CC[C@H](NC(=O)c1ccc(O)cc1F)C(=O)[O-]	ZINC000232380273	960263768	/nfs/dbraw/zinc/26/37/68/960263768.db2.gz	UNSXNKHBFXIRSL-JTQLQIEISA-N	-1	0	251.213	0.738	20	30		CCEDRM
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C#CCOCCNC(C)(C)c1cc(C(=O)[O-])on1	ZINC001588491801	983537465	/nfs/dbraw/zinc/53/74/65/983537465.db2.gz	WTEYFUGMMFUUEU-UHFFFAOYSA-N	-1	0	252.270	0.847	20	30		CCEDRM
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C=C[C@@H](COC)NC(=O)N1CCO[C@H](CC(=O)[O-])C1	ZINC001588692741	983885541	/nfs/dbraw/zinc/88/55/41/983885541.db2.gz	JAONDUPZHOCQRM-VHSXEESVSA-N	-1	0	272.301	0.073	20	30		CCEDRM
C=C[C@@H](N[C@@H](Cc1cncs1)C(=O)[O-])C(=O)OC	ZINC001588694895	983899852	/nfs/dbraw/zinc/89/98/52/983899852.db2.gz	FTQIBJQGITVKLP-BDAKNGLRSA-N	-1	0	270.310	0.456	20	30		CCEDRM
CCN(Cn1nc(C(=O)[O-])ccc1=O)[C@@H](C)C#N	ZINC001596380776	983905093	/nfs/dbraw/zinc/90/50/93/983905093.db2.gz	ZHIAABLPNQUOIJ-QMMMGPOBSA-N	-1	0	250.258	0.133	20	30		CCEDRM
C=C[C@@H](O)C(=O)OCC(=O)Nc1cccc(C(=O)[O-])c1	ZINC001588706392	983930845	/nfs/dbraw/zinc/93/08/45/983930845.db2.gz	YVSUKKBLCCZIGO-SNVBAGLBSA-N	-1	0	279.248	0.413	20	30		CCEDRM
C=C[C@H](OC(=O)[C@@H]1CC[C@H](C(=O)[O-])C1)C(=O)OC	ZINC001588711983	983940888	/nfs/dbraw/zinc/94/08/88/983940888.db2.gz	RZNCNELOPUWOEZ-YIZRAAEISA-N	-1	0	256.254	0.758	20	30		CCEDRM
CCN1C[C@@H](Cn2cc(C(=O)[O-])cc(C#N)c2=O)OC1=O	ZINC001596397424	983946417	/nfs/dbraw/zinc/94/64/17/983946417.db2.gz	HHMLJWJNCNKHFH-JTQLQIEISA-N	-1	0	291.263	0.259	20	30		CCEDRM
C=C[C@H](OC(=O)c1cn(C2CCOCC2)nn1)C(=O)[O-]	ZINC001588713553	983949591	/nfs/dbraw/zinc/94/95/91/983949591.db2.gz	YMVJEABYGPCNFZ-JTQLQIEISA-N	-1	0	281.268	0.426	20	30		CCEDRM
C=C[C@@H](Sc1nc2nc(N)nc(N)c2[nH]1)C(=O)[O-]	ZINC001588714843	983953437	/nfs/dbraw/zinc/95/34/37/983953437.db2.gz	PCRNGWVWKKRMRS-GSVOUGTGSA-N	-1	0	266.286	0.249	20	30		CCEDRM
C=CC[C@H](C(=O)[O-])N1CC[C@@H](C)S(=O)(=O)CC1	ZINC001588730168	983996483	/nfs/dbraw/zinc/99/64/83/983996483.db2.gz	WVMYAGNSFPRXAQ-NXEZZACHSA-N	-1	0	261.343	0.525	20	30		CCEDRM
C=CC[C@H](C(=O)[O-])N1C[C@H](C)S(=O)(=O)[C@@H](CC)C1	ZINC001588730250	983997325	/nfs/dbraw/zinc/99/73/25/983997325.db2.gz	YCYUHSIHPCDUGY-GARJFASQSA-N	-1	0	275.370	0.913	20	30		CCEDRM
C=CC[C@@H](C(=O)OC)N1CCC([C@@H](O)C(=O)[O-])CC1	ZINC001588732015	984014612	/nfs/dbraw/zinc/01/46/12/984014612.db2.gz	UFZQZMPXFMXJOE-WDEREUQCSA-N	-1	0	271.313	0.262	20	30		CCEDRM
C=CC[C@H](CO)CNC(=O)NCc1ncc(C(=O)[O-])s1	ZINC001588737582	984030108	/nfs/dbraw/zinc/03/01/08/984030108.db2.gz	MRWVMKAVYYPTOQ-QMMMGPOBSA-N	-1	0	299.352	0.825	20	30		CCEDRM
C=CCC(F)(F)C(=O)N[C@@H](Cn1ccnc1)C(=O)[O-]	ZINC001588742432	984032761	/nfs/dbraw/zinc/03/27/61/984032761.db2.gz	CVFQVFXJOKMHAP-QMMMGPOBSA-N	-1	0	273.239	0.664	20	30		CCEDRM
C=CC[C@H](NC(=O)N1CC(O)(C(=O)[O-])C1)c1ccncc1	ZINC001588742530	984033135	/nfs/dbraw/zinc/03/31/35/984033135.db2.gz	FWPXQBOPVCKHAO-NSHDSACASA-N	-1	0	291.307	0.540	20	30		CCEDRM
C=CC[C@H](OC(=O)[C@H](CC(C)C)C(N)=O)C(=O)[O-]	ZINC001588751005	984075128	/nfs/dbraw/zinc/07/51/28/984075128.db2.gz	JNSNIGMRDWEHNT-BDAKNGLRSA-N	-1	0	257.286	0.707	20	30		CCEDRM
C=CC[C@H](OC(=O)c1c(C)nn(C)c1OC)C(=O)[O-]	ZINC001588757103	984101281	/nfs/dbraw/zinc/10/12/81/984101281.db2.gz	VJJHPEHXPWVKLH-QMMMGPOBSA-N	-1	0	268.269	0.923	20	30		CCEDRM
C=CCC1(C(=O)N2CC(O)(C(=O)[O-])C2)CCCC1	ZINC001588763224	984118858	/nfs/dbraw/zinc/11/88/58/984118858.db2.gz	QPGSOEARHHQZCN-UHFFFAOYSA-N	-1	0	253.298	0.781	20	30		CCEDRM
C=CCCC[C@@H](NC(=O)CNC(=O)N1CCCC1)C(=O)[O-]	ZINC001588788705	984192488	/nfs/dbraw/zinc/19/24/88/984192488.db2.gz	KTHPMCDLRPDHGS-LLVKDONJSA-N	-1	0	297.355	0.718	20	30		CCEDRM
C=CCN(CC=C)C(=O)C(=O)NC1CC(CC(=O)[O-])C1	ZINC001588825142	984298089	/nfs/dbraw/zinc/29/80/89/984298089.db2.gz	BRXVSWRFLXXUSF-UHFFFAOYSA-N	-1	0	280.324	0.557	20	30		CCEDRM
C=CCN(CCC#N)CCc1cn(CC(=O)[O-])nn1	ZINC001588826737	984306297	/nfs/dbraw/zinc/30/62/97/984306297.db2.gz	UKAKKWSFYPSABU-UHFFFAOYSA-N	-1	0	263.301	0.307	20	30		CCEDRM
C=CCN1CC[C@H](N(C)C(=O)c2cc(C(=O)[O-])no2)C1=O	ZINC001588836559	984328205	/nfs/dbraw/zinc/32/82/05/984328205.db2.gz	BBCAJVCSEMENNT-VIFPVBQESA-N	-1	0	293.279	0.232	20	30		CCEDRM
C=CCN1CC[C@@H](n2nc(C(=O)[O-])nc2Cl)C1=O	ZINC001588838896	984342624	/nfs/dbraw/zinc/34/26/24/984342624.db2.gz	LLOXNCDQNLHKBN-ZCFIWIBFSA-N	-1	0	270.676	0.589	20	30		CCEDRM
C=CCN1CC[C@H](N2CC[C@@]3(CC(C(=O)[O-])=NO3)C2)C1=O	ZINC001588839036	984343334	/nfs/dbraw/zinc/34/33/34/984343334.db2.gz	NGONJKXPVNUJKK-SMDDNHRTSA-N	-1	0	293.323	0.079	20	30		CCEDRM
C=CCNC(=O)[C@H](C)Nc1cnn(C(C)(C)C(=O)[O-])c1	ZINC001588839108	984344692	/nfs/dbraw/zinc/34/46/92/984344692.db2.gz	NMBSHTVBRKZXHC-VIFPVBQESA-N	-1	0	280.328	0.805	20	30		CCEDRM
C=CCNC(=O)CNC(=O)NCc1ccc(C(=O)[O-])s1	ZINC001588844506	984358503	/nfs/dbraw/zinc/35/85/03/984358503.db2.gz	JQLSJOJDVZCMLH-UHFFFAOYSA-N	-1	0	297.336	0.548	20	30		CCEDRM
C=CCOC[C@@H](NCc1ccc(C(=O)[O-])o1)C(=O)OC	ZINC001588865689	984419595	/nfs/dbraw/zinc/41/95/95/984419595.db2.gz	AXCFWDBEHUJUGH-SNVBAGLBSA-N	-1	0	283.280	0.812	20	30		CCEDRM
C=CCOc1ccc(CNC(=O)COCC(=O)[O-])cc1	ZINC001588874038	984446885	/nfs/dbraw/zinc/44/68/85/984446885.db2.gz	STFHUPDBUPPCBF-UHFFFAOYSA-N	-1	0	279.292	0.969	20	30		CCEDRM
C=CCn1cc(C(=O)Nc2nn(C)cc2C(=O)[O-])nn1	ZINC001588909556	984545377	/nfs/dbraw/zinc/54/53/77/984545377.db2.gz	YLONZNWPXLOIBP-UHFFFAOYSA-N	-1	0	276.256	0.148	20	30		CCEDRM
C=C[C@@H]1OCCC[C@H]1NC(=O)[C@H]1C[C@@H](C(=O)[O-])C1	ZINC001588917049	984565104	/nfs/dbraw/zinc/56/51/04/984565104.db2.gz	MJOSZYKIMGBHLZ-YTWAJWBKSA-N	-1	0	253.298	0.947	20	30		CCEDRM
C=C[C@@H]1OCC[C@H]1C(=O)N1CCC[C@@H](O)[C@@H]1C(=O)[O-]	ZINC001588917371	984566819	/nfs/dbraw/zinc/56/68/19/984566819.db2.gz	XWJSRGUYEYCRFK-CHWFTXMASA-N	-1	0	269.297	0.014	20	30		CCEDRM
C=C[C@H](CO)NC(=O)Nc1cnc(C)c(C(=O)[O-])c1	ZINC001588919332	984571153	/nfs/dbraw/zinc/57/11/53/984571153.db2.gz	HXLQEMBGPNSNQM-MRVPVSSYSA-N	-1	0	265.269	0.757	20	30		CCEDRM
C=C[C@@H]1OCC[C@H]1NC(=O)c1ccnc(C(=O)[O-])c1	ZINC001588919898	984575331	/nfs/dbraw/zinc/57/53/31/984575331.db2.gz	NXUJUVLGFOZMEP-KOLCDFICSA-N	-1	0	262.265	0.853	20	30		CCEDRM
C=C[C@H](CO)Nc1cc(C)nc2nc(C(=O)[O-])nn21	ZINC001588920088	984575744	/nfs/dbraw/zinc/57/57/44/984575744.db2.gz	UTDFNNKCGPTLMK-SSDOTTSWSA-N	-1	0	263.257	0.090	20	30		CCEDRM
CC#CCCCC(=O)N1CCC[C@@H](O)[C@@H]1C(=O)[O-]	ZINC001588925773	984588860	/nfs/dbraw/zinc/58/88/60/984588860.db2.gz	VRVMNSHPBDXCIC-ZYHUDNBSSA-N	-1	0	253.298	0.617	20	30		CCEDRM
CC#CCN1CCCN(C(=O)[C@H]2C[C@H]2C(=O)[O-])CC1	ZINC001588930964	984600664	/nfs/dbraw/zinc/60/06/64/984600664.db2.gz	GUAPQZVJXFZPOE-NWDGAFQWSA-N	-1	0	264.325	0.265	20	30		CCEDRM
CC#CCN(C)C(=O)Cn1cccc(C(=O)[O-])c1=O	ZINC001588931520	984603372	/nfs/dbraw/zinc/60/33/72/984603372.db2.gz	YJYAWYQDQYUVSH-UHFFFAOYSA-N	-1	0	262.265	0.028	20	30		CCEDRM
CCOC(=O)NCCCC(=O)N(CC#N)CCC(=O)[O-]	ZINC001596662346	984715669	/nfs/dbraw/zinc/71/56/69/984715669.db2.gz	DFZASKGBGSKYSC-UHFFFAOYSA-N	-1	0	285.300	0.340	20	30		CCEDRM
CC(=NOCC1CCC1)c1cn(CC(=O)[O-])nn1	ZINC001589021064	985009799	/nfs/dbraw/zinc/00/97/99/985009799.db2.gz	KDJDZDZFYZDRNT-UHFFFAOYSA-N	-1	0	252.274	0.903	20	30		CCEDRM
C[C@H]1CN(C(=O)C2(C#N)CCSCC2)C[C@@H](C(=O)[O-])O1	ZINC001599912900	985011227	/nfs/dbraw/zinc/01/12/27/985011227.db2.gz	PONQCEOCGFTUQO-UWVGGRQHSA-N	-1	0	298.364	0.724	20	30		CCEDRM
CC(=NOCC(=O)N[C@H](C(=O)[O-])C(C)C)c1cnn(C)c1	ZINC001589021243	985011211	/nfs/dbraw/zinc/01/12/11/985011211.db2.gz	OLXHAOXTTRFCTD-LBPRGKRZSA-N	-1	0	296.327	0.386	20	30		CCEDRM
CCO[C@@H](C)c1noc(CN(CC#N)CCC(=O)[O-])n1	ZINC001596774317	985200876	/nfs/dbraw/zinc/20/08/76/985200876.db2.gz	DELCQNAMVDRNII-VIFPVBQESA-N	-1	0	282.300	0.967	20	30		CCEDRM
Cc1[nH]c(C#N)cc1C(=O)N[C@H](Cc1c[nH]cn1)C(=O)[O-]	ZINC001599942700	985474937	/nfs/dbraw/zinc/47/49/37/985474937.db2.gz	ROJRCTBTVQGNGT-LLVKDONJSA-N	-1	0	287.279	0.344	20	30		CCEDRM
C[C@@H]1CN(C(=O)[C@H]2CC[C@@H](C(=O)[O-])O2)C[C@@H](C)N1CC#N	ZINC001594484652	985547882	/nfs/dbraw/zinc/54/78/82/985547882.db2.gz	CFZCKMXQKYVUAZ-KKOKHZNYSA-N	-1	0	295.339	0.063	20	30		CCEDRM
C[C@@H]1CN(C(=O)[C@H]2C[C@H]2C(=O)[O-])C[C@H](C)N1CC#N	ZINC001594486094	985561905	/nfs/dbraw/zinc/56/19/05/985561905.db2.gz	PRFUWQHPBDVCDW-ZRUFSTJUSA-N	-1	0	265.313	0.152	20	30		CCEDRM
CCOC[C@@H](C(=O)[O-])N(C)C(=O)c1ncc(C#N)cc1C	ZINC001596878569	985743938	/nfs/dbraw/zinc/74/39/38/985743938.db2.gz	VZRBBFAMVIARHB-NSHDSACASA-N	-1	0	291.307	0.823	20	30		CCEDRM
C[C@H](C#N)C(=O)N1CCC2(CC(C(=O)[O-])=NO2)CC1	ZINC001589324201	986155636	/nfs/dbraw/zinc/15/56/36/986155636.db2.gz	XUGXTXWAJXXRKS-MRVPVSSYSA-N	-1	0	265.269	0.368	20	30		CCEDRM
Cc1c(C(=O)N[C@H](C)C(=O)[O-])cnn1CCC#N	ZINC001599982737	986186634	/nfs/dbraw/zinc/18/66/34/986186634.db2.gz	VSEFMJJSMJQJIB-SSDOTTSWSA-N	-1	0	250.258	0.308	20	30		CCEDRM
C[C@H](C#N)N(C(=O)Cn1cccc(C(=O)[O-])c1=O)C1CC1	ZINC001589332085	986196910	/nfs/dbraw/zinc/19/69/10/986196910.db2.gz	XNEBQMGFYQOYLO-SECBINFHSA-N	-1	0	289.291	0.450	20	30		CCEDRM
C[C@@H](C(=O)NCC1(C(=O)[O-])CCCC1)n1cnc(C#N)n1	ZINC001589405013	986585768	/nfs/dbraw/zinc/58/57/68/986585768.db2.gz	UENYGXINOYOELW-VIFPVBQESA-N	-1	0	291.311	0.472	20	30		CCEDRM
CCC(C#N)(CC)C(=O)N1CC[C@](O)(C(=O)[O-])C1	ZINC001594722408	987212455	/nfs/dbraw/zinc/21/24/55/987212455.db2.gz	OUOFQJMQZBGGRW-GFCCVEGCSA-N	-1	0	254.286	0.364	20	30		CCEDRM
C[C@H](C(=O)O[C@H]1CCCC[C@@H]1C(=O)[O-])n1cnc(C#N)n1	ZINC001589542693	987254885	/nfs/dbraw/zinc/25/48/85/987254885.db2.gz	FJBVOOPRYJWCOK-UTLUCORTSA-N	-1	0	292.295	0.897	20	30		CCEDRM
CC(C)(C#N)C(=O)N1CC[C@@]2(CC(C(=O)[O-])=NO2)C1	ZINC001589553681	987292353	/nfs/dbraw/zinc/29/23/53/987292353.db2.gz	GHGKXXLNCBOQQC-GFCCVEGCSA-N	-1	0	265.269	0.368	20	30		CCEDRM
CC(C)(C#N)CNC(=O)N1C[C@H]2COCC[C@@]2(C(=O)[O-])C1	ZINC001589554568	987301504	/nfs/dbraw/zinc/30/15/04/987301504.db2.gz	FNSWUQYSHSDBKI-IINYFYTJSA-N	-1	0	295.339	0.669	20	30		CCEDRM
CC(C)(C#N)CNC(=O)CC[C@@H]1C[C@H](C(=O)[O-])CO1	ZINC001589554634	987301916	/nfs/dbraw/zinc/30/19/16/987301916.db2.gz	HLLGVDGNBRIMKH-VHSXEESVSA-N	-1	0	268.313	0.922	20	30		CCEDRM
CCc1c(C(=O)N(CC#N)CCC(=O)[O-])cnn1CC	ZINC001597400723	987665416	/nfs/dbraw/zinc/66/54/16/987665416.db2.gz	JKMADQVUXFAMAA-UHFFFAOYSA-N	-1	0	278.312	0.906	20	30		CCEDRM
CSC[C@](C)(C#N)NC(=O)[C@H]1C[C@@H](C(=O)[O-])C1	ZINC001599790223	987995077	/nfs/dbraw/zinc/99/50/77/987995077.db2.gz	VIZNAYSFBZQVLU-RNSXUZJQSA-N	-1	0	256.327	0.859	20	30		CCEDRM
C[C@@H](CO)N(C)S(=O)(=O)c1ccc(C#N)cc1C(=O)[O-]	ZINC001599836831	988757172	/nfs/dbraw/zinc/75/71/72/988757172.db2.gz	WDZJOFORQMLUIC-QMMMGPOBSA-N	-1	0	298.320	0.258	20	30		CCEDRM
CCc1ncc(Cl)c(C(=O)N(CC#N)CC(=O)[O-])n1	ZINC001597699941	988918417	/nfs/dbraw/zinc/91/84/17/988918417.db2.gz	GXYIKBHCVNVDBY-UHFFFAOYSA-N	-1	0	282.687	0.743	20	30		CCEDRM
C[C@@H]1CN(C(=O)[C@]2(C#N)CCCOC2)C[C@H]1C(=O)[O-]	ZINC001599853163	989045728	/nfs/dbraw/zinc/04/57/28/989045728.db2.gz	XAMBIEJHLVXPDO-BREBYQMCSA-N	-1	0	266.297	0.486	20	30		CCEDRM
CN(C(=O)Cn1cc(C(=O)[O-])nn1)[C@@H]1CCC[C@@H]1C#N	ZINC001598041805	990277063	/nfs/dbraw/zinc/27/70/63/990277063.db2.gz	ZNAJVIMKUQWOKG-PSASIEDQSA-N	-1	0	277.284	0.127	20	30		CCEDRM
CC(C)(NS(=O)(=O)Cc1csc(C#N)c1)C(=O)[O-]	ZINC001590879057	990789446	/nfs/dbraw/zinc/78/94/46/990789446.db2.gz	HEASFAOXAUXUBP-UHFFFAOYSA-N	-1	0	288.350	0.902	20	30		CCEDRM
CC(C)C#CC(=O)N1CCC([C@H](O)C(=O)[O-])CC1	ZINC001590926912	990928337	/nfs/dbraw/zinc/92/83/37/990928337.db2.gz	LJVFLYDGVOFZAJ-LBPRGKRZSA-N	-1	0	253.298	0.330	20	30		CCEDRM
CC(C)C#CC(=O)N1CC(n2cc(C(=O)[O-])nn2)C1	ZINC001590926984	990928966	/nfs/dbraw/zinc/92/89/66/990928966.db2.gz	NNFFSIKCRMUCIC-UHFFFAOYSA-N	-1	0	262.269	0.019	20	30		CCEDRM
CC(C)C#CC(=O)N1CCC(n2cc(C(=O)[O-])nn2)CC1	ZINC001590927263	990932632	/nfs/dbraw/zinc/93/26/32/990932632.db2.gz	XKDXYISTAMRVOJ-UHFFFAOYSA-N	-1	0	290.323	0.799	20	30		CCEDRM
CN(C)c1cc(C#N)cc(C(=O)N(CC#N)CC(=O)[O-])c1	ZINC001598288616	991198217	/nfs/dbraw/zinc/19/82/17/991198217.db2.gz	ZVUNNLFKWRZHIQ-UHFFFAOYSA-N	-1	0	286.291	0.675	20	30		CCEDRM
CN(C)c1nc(=NN=Cc2cccn2CC(=O)[O-])cc[nH]1	ZINC001598359118	991487268	/nfs/dbraw/zinc/48/72/68/991487268.db2.gz	XMCQWKOIRMKOBM-UHFFFAOYSA-N	-1	0	288.311	0.875	20	30		CCEDRM
CN(Cc1cccc(C#N)c1)CN1C[C@@H](C(=O)[O-])OC1=O	ZINC001598525453	992714171	/nfs/dbraw/zinc/71/41/71/992714171.db2.gz	JUOMSAVRUKYWSW-LBPRGKRZSA-N	-1	0	289.291	0.853	20	30		CCEDRM
CC(C)NC(=O)CCCC(=O)N(CC#N)CCC(=O)[O-]	ZINC001591640115	992952901	/nfs/dbraw/zinc/95/29/01/992952901.db2.gz	QBTYNTJZWSNBHF-UHFFFAOYSA-N	-1	0	283.328	0.508	20	30		CCEDRM
CN1CCC[C@H](Cn2cc(C(=O)[O-])cc(C#N)c2=O)C1=O	ZINC001598593977	993477121	/nfs/dbraw/zinc/47/71/21/993477121.db2.gz	UGLJOPFGZLVTIG-SECBINFHSA-N	-1	0	289.291	0.287	20	30		CCEDRM
COc1cccc(S(=O)(=O)N(CC#N)CC(=O)[O-])c1	ZINC001599681471	994989234	/nfs/dbraw/zinc/98/92/34/994989234.db2.gz	YBZHGYHUTHEHMB-UHFFFAOYSA-N	-1	0	284.293	0.294	20	30		CCEDRM
COC(=O)[C@@H](CC(=O)[O-])NC(=O)c1ccc(C#N)c(O)c1	ZINC001598693312	995097916	/nfs/dbraw/zinc/09/79/16/995097916.db2.gz	RRKADQRLDOWAJW-SECBINFHSA-N	-1	0	292.247	0.010	20	30		CCEDRM
COC(=O)C1(C#N)CCN(C(=O)[C@H]2C[C@H]2C(=O)[O-])CC1	ZINC001598716040	995410349	/nfs/dbraw/zinc/41/03/49/995410349.db2.gz	DQLQZXAGPJZBBI-DTWKUNHWSA-N	-1	0	280.280	0.012	20	30		CCEDRM
C[C@H](OC(=O)c1cc(C#N)cn1C)C(=O)C(=O)[O-]	ZINC001593554444	995636821	/nfs/dbraw/zinc/63/68/21/995636821.db2.gz	TZQJKXDYUYIYNX-LURJTMIESA-N	-1	0	250.210	0.096	20	30		CCEDRM
COC(=O)[C@H]1C[C@H](C(=O)[O-])CCN1CC1(C#N)CC1	ZINC001598749973	995639915	/nfs/dbraw/zinc/63/99/15/995639915.db2.gz	JHQRLSRYOFKPGW-NXEZZACHSA-N	-1	0	266.297	0.628	20	30		CCEDRM
C[C@@]1(C#N)CN([C@@H]2CCCN(CCC(=O)[O-])C2=O)CCO1	ZINC001593743326	996367048	/nfs/dbraw/zinc/36/70/48/996367048.db2.gz	NLABYWHMHBMSTJ-BXUZGUMPSA-N	-1	0	295.339	0.067	20	30		CCEDRM
C[C@@]1(C(=O)[O-])CCN(C(=O)C(=O)NCCCCC#N)C1	ZINC001593783357	996494478	/nfs/dbraw/zinc/49/44/78/996494478.db2.gz	IXAYUJHCGLSWQL-CYBMUJFWSA-N	-1	0	281.312	0.120	20	30		CCEDRM
COC(=O)C[C@@H](NC(=O)c1cc(C#N)oc1C)C(=O)[O-]	ZINC001598842439	996536809	/nfs/dbraw/zinc/53/68/09/996536809.db2.gz	YPIYWRGROAEJMJ-SECBINFHSA-N	-1	0	280.236	0.206	20	30		CCEDRM
COC(=O)CC[C@@H](C(=O)[O-])N1CC[C@@](F)(C#N)C1	ZINC001598845407	996560929	/nfs/dbraw/zinc/56/09/29/996560929.db2.gz	BLENMVABTFSVOK-GZMMTYOYSA-N	-1	0	258.249	0.330	20	30		CCEDRM
COC(=O)CN(CC#N)C(=O)C[C@@H](C)CC(=O)[O-]	ZINC001598861336	996677355	/nfs/dbraw/zinc/67/73/55/996677355.db2.gz	UYYFZULXLCLGSP-MRVPVSSYSA-N	-1	0	256.258	0.012	20	30		CCEDRM
COC(=O)CN(CC(=O)[O-])Cc1ccc(C#N)c(OC)c1	ZINC001598861896	996681583	/nfs/dbraw/zinc/68/15/83/996681583.db2.gz	RVDVIBDSOOJZIW-UHFFFAOYSA-N	-1	0	292.291	0.626	20	30		CCEDRM
CO[C@]1(C(=O)[O-])CCN(C(=O)c2cc(C#N)[nH]c2C)C1	ZINC001599075054	996844374	/nfs/dbraw/zinc/84/43/74/996844374.db2.gz	PTIPGUNUXDRTEP-CYBMUJFWSA-N	-1	0	277.280	0.511	20	30		CCEDRM
COCC[C@H](C)S(=O)(=O)N(CC#N)CCC(=O)[O-]	ZINC001599213256	997539764	/nfs/dbraw/zinc/53/97/64/997539764.db2.gz	YHHRVVWQDJENAN-VIFPVBQESA-N	-1	0	278.330	0.041	20	30		CCEDRM
COCC[C@@H](NC(=O)c1cc(C#N)cs1)C(=O)[O-]	ZINC001599215450	997574269	/nfs/dbraw/zinc/57/42/69/997574269.db2.gz	WSCVMLLCKMGJHC-MRVPVSSYSA-N	-1	0	268.294	0.839	20	30		CCEDRM
COCC[C@H](NC(=O)c1ccccc1OCC#N)C(=O)[O-]	ZINC001599217909	997615076	/nfs/dbraw/zinc/61/50/76/997615076.db2.gz	WQAWYRQCOMXZPV-NSHDSACASA-N	-1	0	292.291	0.808	20	30		CCEDRM
CO[C@H](C)CNC(=O)N1CCC(C#N)(C(=O)[O-])CC1	ZINC001599325307	997652540	/nfs/dbraw/zinc/65/25/40/997652540.db2.gz	QXTMGBUFTNLFJJ-SECBINFHSA-N	-1	0	269.301	0.421	20	30		CCEDRM
CO[C@@H]1CCN(C(=O)c2cc(C#N)[nH]c2C)[C@H](C(=O)[O-])C1	ZINC001599121531	997746962	/nfs/dbraw/zinc/74/69/62/997746962.db2.gz	WKMBPMPJQAWLOY-PWSUYJOCSA-N	-1	0	291.307	0.899	20	30		CCEDRM
COCCN(CC#N)C(=O)Cc1cccc(C(=O)[O-])c1	ZINC001599231346	997862981	/nfs/dbraw/zinc/86/29/81/997862981.db2.gz	RTPVHBJTCHSCSG-UHFFFAOYSA-N	-1	0	276.292	0.926	20	30		CCEDRM
CO[C@@H]1CN(CC(=O)NC2(C#N)CCC2)[C@@](C)(C(=O)[O-])C1	ZINC001599131475	997953763	/nfs/dbraw/zinc/95/37/63/997953763.db2.gz	NPJMLIFLCPRGOR-GXFFZTMASA-N	-1	0	295.339	0.113	20	30		CCEDRM
COCC#CC(=O)N[C@](C)(Cc1ccc(F)cc1)C(=O)[O-]	ZINC001599139452	998101738	/nfs/dbraw/zinc/10/17/38/998101738.db2.gz	WZVACSGWERLUOK-OAHLLOKOSA-N	-1	0	293.294	0.978	20	30		CCEDRM
COC[C@](C)(C#N)NC(=O)c1ccc(C(=O)[O-])o1	ZINC001599144039	998180187	/nfs/dbraw/zinc/18/01/87/998180187.db2.gz	RKVVADHMFFCYQN-NSHDSACASA-N	-1	0	252.226	0.636	20	30		CCEDRM
COC[C@@H](NC(=O)Cc1cccc(C#N)c1)C(=O)[O-]	ZINC001599170013	998597849	/nfs/dbraw/zinc/59/78/49/998597849.db2.gz	LBUDANBQQSIMOM-LLVKDONJSA-N	-1	0	262.265	0.317	20	30		CCEDRM
COC[C@@H](NC(=O)c1cc(C#N)oc1C)C(=O)[O-]	ZINC001599173150	998633421	/nfs/dbraw/zinc/63/34/21/998633421.db2.gz	FMGXBCHVIWHCAG-SECBINFHSA-N	-1	0	252.226	0.289	20	30		CCEDRM
COC(=O)c1coc(CN(CC#N)CCC(=O)[O-])c1	ZINC001599012393	998909701	/nfs/dbraw/zinc/90/97/01/998909701.db2.gz	XTHLJTLXGXOHHB-UHFFFAOYSA-N	-1	0	266.253	0.866	20	30		CCEDRM
C[C@H]1C[C@H](NC(=O)N2CCC(C#N)(C(=O)[O-])CC2)CO1	ZINC001594253139	998974186	/nfs/dbraw/zinc/97/41/86/998974186.db2.gz	MOXRTMPGOXATBK-UWVGGRQHSA-N	-1	0	281.312	0.564	20	30		CCEDRM
C[C@@H]1CC[C@@H]2O[C@@H](C(=O)[O-])C[C@H]2N1C(=O)[C@@H]1C[C@@H]1C#N	ZINC001594335238	999287643	/nfs/dbraw/zinc/28/76/43/999287643.db2.gz	BGABKMDCMVLDAS-QSZMHOAKSA-N	-1	0	278.308	0.768	20	30		CCEDRM
C=CCOC[C@@H](NC(=O)c1nn(C)cc1C)C(=O)[O-]	ZINC000573340192	334929704	/nfs/dbraw/zinc/92/97/04/334929704.db2.gz	NHKBXTSCZVZZMG-SECBINFHSA-N	-1	0	267.285	0.114	20	30		CCEDRM
Cc1noc(OCc2cc(=O)n3[n-]cc(C#N)c3n2)n1	ZINC000337451559	214088822	/nfs/dbraw/zinc/08/88/22/214088822.db2.gz	FSIAXKZETUYEAH-UHFFFAOYSA-N	-1	0	272.224	0.577	20	30		CCEDRM
N#Cc1cc2c(nc1NCCOCC(=O)[O-])CCC2	ZINC000093228808	349534076	/nfs/dbraw/zinc/53/40/76/349534076.db2.gz	TVWUTKHQMMAURZ-UHFFFAOYSA-N	-1	0	261.281	0.955	20	30		CCEDRM
Cc1nn(C)c(C)c1S(=O)(=O)[N-]c1c(C#N)cnn1C	ZINC000093342341	349539667	/nfs/dbraw/zinc/53/96/67/349539667.db2.gz	KXXVPUDJTHSCIO-UHFFFAOYSA-N	-1	0	294.340	0.443	20	30		CCEDRM
CCc1ccccc1-n1cc([O-])c(C(=O)NCC#CCO)n1	ZINC000352183058	529563390	/nfs/dbraw/zinc/56/33/90/529563390.db2.gz	YVKDZPVWWGBPTK-UHFFFAOYSA-N	-1	0	299.330	0.866	20	30		CCEDRM
Cc1cn2c(n1)C[C@H](C(=O)N=c1[nH][n-]c(C)c1C#N)CC2	ZINC000600827382	362074614	/nfs/dbraw/zinc/07/46/14/362074614.db2.gz	SUYSXUCTSDPTQD-SNVBAGLBSA-N	-1	0	284.323	0.718	20	30		CCEDRM
N#C[C@H]1CN(S(=O)(=O)c2cc([O-])cc(F)c2)CCO1	ZINC000601338439	362234197	/nfs/dbraw/zinc/23/41/97/362234197.db2.gz	VITWPSJTAOYHHW-JTQLQIEISA-N	-1	0	286.284	0.444	20	30		CCEDRM
N#Cc1cncc(S(=O)(=O)N[C@H]2C=C[C@@H](C(=O)[O-])C2)c1	ZINC000290616817	197766486	/nfs/dbraw/zinc/76/64/86/197766486.db2.gz	JZDQWUPAHCYJPK-ZJUUUORDSA-N	-1	0	293.304	0.261	20	30		CCEDRM
N#Cc1c[n-][nH]c1=NC(=O)[C@H]1CCc2cncn2C1	ZINC000601638156	362335798	/nfs/dbraw/zinc/33/57/98/362335798.db2.gz	FEKUQSUREBIJTB-QMMMGPOBSA-N	-1	0	256.269	0.101	20	30		CCEDRM
C[C@@H](C(=O)N=c1[nH][n-]cc1C#N)N1CCCCCC1	ZINC000601639065	362336366	/nfs/dbraw/zinc/33/63/66/362336366.db2.gz	GXFIKRXLICFPFL-JTQLQIEISA-N	-1	0	261.329	0.906	20	30		CCEDRM
Cc1[n-][nH]c(=NC(=O)c2cnn(CC3CC3)c2)c1C#N	ZINC000601679590	362352417	/nfs/dbraw/zinc/35/24/17/362352417.db2.gz	LNVQDSQOCLYJHV-UHFFFAOYSA-N	-1	0	270.296	0.871	20	30		CCEDRM
CSc1[n-]c(=O)c(C(=O)NC2(C)COC2)cc1C#N	ZINC000601799310	362396052	/nfs/dbraw/zinc/39/60/52/362396052.db2.gz	YAYDFKRBCKDEEY-UHFFFAOYSA-N	-1	0	279.321	0.899	20	30		CCEDRM
CN=c1[n-]nc(CC(=O)N(C)[C@H]2CCC[C@@H]2C#N)s1	ZINC000601823924	362402730	/nfs/dbraw/zinc/40/27/30/362402730.db2.gz	XXTYVCXYRVIMDA-BDAKNGLRSA-N	-1	0	279.369	0.695	20	30		CCEDRM
C[C@H]1CCCCN1C(=O)CCn1cc(C#N)c(=O)[n-]c1=O	ZINC000602031889	362464196	/nfs/dbraw/zinc/46/41/96/362464196.db2.gz	RXQNLQORGRADAW-JTQLQIEISA-N	-1	0	290.323	0.612	20	30		CCEDRM
CC1(C)CCCN1C(=O)Cn1cc(C#N)c(=O)[n-]c1=O	ZINC000602090654	362480972	/nfs/dbraw/zinc/48/09/72/362480972.db2.gz	FCJDBKXFGAXSTO-UHFFFAOYSA-N	-1	0	276.296	0.222	20	30		CCEDRM
N#Cc1cn(CC(=O)N2CC3(C2)CCCC3)c(=O)[n-]c1=O	ZINC000602137999	362517921	/nfs/dbraw/zinc/51/79/21/362517921.db2.gz	HJFKLODEFUWZQQ-UHFFFAOYSA-N	-1	0	288.307	0.223	20	30		CCEDRM
C=CCN(C(=O)CCn1cc(C#N)c(=O)[n-]c1=O)C1CC1	ZINC000602131473	362511456	/nfs/dbraw/zinc/51/14/56/362511456.db2.gz	UDPIYEWFKLDJFE-UHFFFAOYSA-N	-1	0	288.307	0.388	20	30		CCEDRM
CN(C[C@@H]1CC1(C)C)C(=O)Cn1cc(C#N)c(=O)[n-]c1=O	ZINC000602189479	362548423	/nfs/dbraw/zinc/54/84/23/362548423.db2.gz	QRJAILCRXHFFQC-JTQLQIEISA-N	-1	0	290.323	0.325	20	30		CCEDRM
CN(C(=O)CCCc1nnn[n-]1)[C@H]1CCC[C@H]1C#N	ZINC000602195361	362551215	/nfs/dbraw/zinc/55/12/15/362551215.db2.gz	KGWJGUIWNWSCBO-UWVGGRQHSA-N	-1	0	262.317	0.673	20	30		CCEDRM
CC[C@H]1CCN1C(=O)CCn1cc(C#N)c(=O)[n-]c1=O	ZINC000602162349	362535874	/nfs/dbraw/zinc/53/58/74/362535874.db2.gz	XJQDXMLRLUTELO-JTQLQIEISA-N	-1	0	276.296	0.222	20	30		CCEDRM
COc1cc(C(=O)N=c2[n-]n(C(C)C)cc2C#N)nn1C	ZINC000361863617	232264133	/nfs/dbraw/zinc/26/41/33/232264133.db2.gz	XRJRUOXRHVSDOJ-UHFFFAOYSA-N	-1	0	288.311	0.752	20	30		CCEDRM
Cc1cccc(S(=O)(=O)N2CC[C@@H](C(=O)[O-])C2)c1C#N	ZINC000179072510	136884990	/nfs/dbraw/zinc/88/49/90/136884990.db2.gz	JQIBTARNALNFOE-SNVBAGLBSA-N	-1	0	294.332	0.962	20	30		CCEDRM
C[C@H](CC(=O)[O-])NS(=O)(=O)c1cccnc1C#N	ZINC000235416965	136965203	/nfs/dbraw/zinc/96/52/03/136965203.db2.gz	AXLOJCGWMJJNAJ-SSDOTTSWSA-N	-1	0	269.282	0.095	20	30		CCEDRM
N#Cc1ccc(OCC(=O)N[C@H]2C[C@@H](C(=O)[O-])C2)cc1	ZINC000262821251	137053921	/nfs/dbraw/zinc/05/39/21/137053921.db2.gz	AVRNLJAEUXUBCT-PHIMTYICSA-N	-1	0	274.276	0.916	20	30		CCEDRM
N#Cc1cncc(S(=O)(=O)[N-]c2ccon2)c1	ZINC000310444835	137071938	/nfs/dbraw/zinc/07/19/38/137071938.db2.gz	QTGMKKGYWIJVKO-UHFFFAOYSA-N	-1	0	250.239	0.742	20	30		CCEDRM
Cn1ncc(C#N)c1[N-]S(=O)(=O)c1cncc(C#N)c1	ZINC000313004322	137077748	/nfs/dbraw/zinc/07/77/48/137077748.db2.gz	ZDDVFXVMPONYEZ-UHFFFAOYSA-N	-1	0	288.292	0.359	20	30		CCEDRM
N#Cc1ncn(CCN=c2[n-]nc(C3CC3)s2)n1	ZINC000343515103	137139819	/nfs/dbraw/zinc/13/98/19/137139819.db2.gz	FJCXCPDZYXZCKO-UHFFFAOYSA-N	-1	0	261.314	0.413	20	30		CCEDRM
C[C@@H](COCC1CC1)NC(=O)N=c1[n-]n(C)cc1C#N	ZINC000602887377	362866241	/nfs/dbraw/zinc/86/62/41/362866241.db2.gz	PMXVTPNBTNCTNZ-VIFPVBQESA-N	-1	0	277.328	0.650	20	30		CCEDRM
CC(C)C[C@H]1COCCN1C(=O)N=c1[n-]n(C)cc1C#N	ZINC000602887353	362866250	/nfs/dbraw/zinc/86/62/50/362866250.db2.gz	PBYXJEKJHZSPDU-LBPRGKRZSA-N	-1	0	291.355	0.992	20	30		CCEDRM
CO[C@@H]1CCN(C(=O)N=c2[n-]n(C)cc2C#N)CC1(C)C	ZINC000602881401	362860566	/nfs/dbraw/zinc/86/05/66/362860566.db2.gz	QBUWGLSQNQAFQE-LLVKDONJSA-N	-1	0	291.355	0.992	20	30		CCEDRM
COC(=O)NCC(=O)[N-]S(=O)(=O)c1c(C)noc1C	ZINC000048491679	348412326	/nfs/dbraw/zinc/41/23/26/348412326.db2.gz	XKBCZDGRQDSZIY-UHFFFAOYSA-N	-1	0	291.285	0.293	20	30		CCEDRM
COc1ccc(C(=O)[O-])cc1S(=O)(=O)NC[C@@H](C)C#N	ZINC000054156556	348543941	/nfs/dbraw/zinc/54/39/41/348543941.db2.gz	XXPFPVOROSNHMU-QMMMGPOBSA-N	-1	0	298.320	0.831	20	30		CCEDRM
N#Cc1ccccc1S(=O)(=O)N[C@H](C(=O)[O-])C1CC1	ZINC000054504704	348558357	/nfs/dbraw/zinc/55/83/57/348558357.db2.gz	YGHKQUBUZDFOIK-NSHDSACASA-N	-1	0	280.305	0.700	20	30		CCEDRM
N#Cc1cccc(NC(=O)N2CCOC[C@@H]2C(=O)[O-])c1	ZINC000088376447	349365691	/nfs/dbraw/zinc/36/56/91/349365691.db2.gz	CETVRAVVJVDTFA-LLVKDONJSA-N	-1	0	275.264	0.876	20	30		CCEDRM
N#Cc1ccc(S(=O)(=O)[N-]c2nncs2)cn1	ZINC000125573417	350125473	/nfs/dbraw/zinc/12/54/73/350125473.db2.gz	OHGOHPPIJNPDCT-UHFFFAOYSA-N	-1	0	267.295	0.606	20	30		CCEDRM
C=C(C)CN(CC)C(=O)CS(=O)(=O)c1ncc[n-]1	ZINC000172880232	351014349	/nfs/dbraw/zinc/01/43/49/351014349.db2.gz	MGFUADFIAIHJJQ-UHFFFAOYSA-N	-1	0	271.342	0.608	20	30		CCEDRM
CO[C@H](C)CS(=O)(=O)[N-]c1nn(C)cc1C#N	ZINC000193333677	351822932	/nfs/dbraw/zinc/82/29/32/351822932.db2.gz	NBFRIWOMPOAFBE-SSDOTTSWSA-N	-1	0	258.303	0.068	20	30		CCEDRM
N#Cc1ccc(S(=O)(=O)[N-]c2cccnn2)cn1	ZINC000122099125	187014936	/nfs/dbraw/zinc/01/49/36/187014936.db2.gz	XVRGZMUJCOPTKK-UHFFFAOYSA-N	-1	0	261.266	0.544	20	30		CCEDRM
N#Cc1ccc(O[C@@H]2CCN(C(=O)C(=O)[O-])C2)nc1	ZINC000292067860	198151165	/nfs/dbraw/zinc/15/11/65/198151165.db2.gz	VGHIAURQBVLETR-SECBINFHSA-N	-1	0	261.237	0.018	20	30		CCEDRM
CSCCO[N-]C(=O)C(=O)Nc1cccc(C#N)c1	ZINC000280510075	353365994	/nfs/dbraw/zinc/36/59/94/353365994.db2.gz	SCEMTEQYSNKSRZ-UHFFFAOYSA-N	-1	0	279.321	0.908	20	30		CCEDRM
CC(C)(C)[C@H](NS(=O)(=O)c1ccc(C#N)nc1)C(=O)[O-]	ZINC000159626350	188434904	/nfs/dbraw/zinc/43/49/04/188434904.db2.gz	VABUNYLEAJBFPK-SNVBAGLBSA-N	-1	0	297.336	0.731	20	30		CCEDRM
C[C@H](CCCNS(=O)(=O)c1ccc(C#N)o1)C(=O)[O-]	ZINC000287475943	353648705	/nfs/dbraw/zinc/64/87/05/353648705.db2.gz	JRUPKSHRROSEBJ-MRVPVSSYSA-N	-1	0	286.309	0.930	20	30		CCEDRM
COCCCO[N-]C(=O)CNC(=O)c1ccc(C#N)cc1	ZINC000287691996	353662378	/nfs/dbraw/zinc/66/23/78/353662378.db2.gz	FGHFDCIASSBPMT-UHFFFAOYSA-N	-1	0	291.307	0.372	20	30		CCEDRM
C[C@H]1CC[C@@H](C(=O)[O-])N1S(=O)(=O)c1ccc(C#N)o1	ZINC000287731310	353664055	/nfs/dbraw/zinc/66/40/55/353664055.db2.gz	ZFHVEUCEKFUKGH-CBAPKCEASA-N	-1	0	284.293	0.777	20	30		CCEDRM
C[C@@H](CCCNS(=O)(=O)c1cncc(C#N)c1)C(=O)[O-]	ZINC000290627268	353738750	/nfs/dbraw/zinc/73/87/50/353738750.db2.gz	KVMALLMXLQENTE-VIFPVBQESA-N	-1	0	297.336	0.732	20	30		CCEDRM
C[C@@H]1[C@@H](C(=O)[O-])CCN1S(=O)(=O)c1cncc(C#N)c1	ZINC000290669232	353741817	/nfs/dbraw/zinc/74/18/17/353741817.db2.gz	OTJWZEZRESSXNZ-KCJUWKMLSA-N	-1	0	295.320	0.437	20	30		CCEDRM
CC#CCN(C)C(=O)c1cc(C)c2c(=O)[n-]c(=O)nc-2[nH]1	ZINC000294053965	353864437	/nfs/dbraw/zinc/86/44/37/353864437.db2.gz	AIRCIKDHIXLSQU-UHFFFAOYSA-N	-1	0	286.291	0.840	20	30		CCEDRM
N#Cc1ncn(CCN=c2nc(C3CC3)[n-]s2)n1	ZINC000557722598	291043196	/nfs/dbraw/zinc/04/31/96/291043196.db2.gz	PYRSGIYUUHGDNO-UHFFFAOYSA-N	-1	0	261.314	0.413	20	30		CCEDRM
COC(=O)c1ccc(=NC(=O)c2ccc(C#N)nc2)[n-]n1	ZINC000619606317	366297899	/nfs/dbraw/zinc/29/78/99/366297899.db2.gz	JTFISYPMWUYRQY-UHFFFAOYSA-N	-1	0	283.247	0.204	20	30		CCEDRM
C=CCCOCC(=O)N=c1ccc(C(=O)OC)n[n-]1	ZINC000619605833	366295981	/nfs/dbraw/zinc/29/59/81/366295981.db2.gz	QFLBXGRKEDCNCI-UHFFFAOYSA-N	-1	0	265.269	0.216	20	30		CCEDRM
N#Cc1cccc(-c2cc(C(=O)Nc3nnn[n-]3)on2)c1	ZINC000447517421	283201345	/nfs/dbraw/zinc/20/13/45/283201345.db2.gz	SFHWPWFWSALUHV-UHFFFAOYSA-N	-1	0	281.235	0.979	20	30		CCEDRM
Cn1cc(C#N)c(=NC(=O)N2CCC3(CCO3)CC2)[n-]1	ZINC000619727595	366344471	/nfs/dbraw/zinc/34/44/71/366344471.db2.gz	RHUSNJWCLHICEL-UHFFFAOYSA-N	-1	0	275.312	0.500	20	30		CCEDRM
Cc1[n-][nH]c(=NC(=O)[C@@H]2OC[C@H]3COCC[C@@H]32)c1C#N	ZINC000356165118	356714492	/nfs/dbraw/zinc/71/44/92/356714492.db2.gz	MMVSXSDXFDULSC-WCABBAIRSA-N	-1	0	276.296	0.002	20	30		CCEDRM
COc1cc(C(=O)N=c2[nH][n-]c(C3CC3)c2C#N)on1	ZINC000359726028	356879906	/nfs/dbraw/zinc/87/99/06/356879906.db2.gz	PJRQZUMQCXVOER-UHFFFAOYSA-N	-1	0	273.252	0.830	20	30		CCEDRM
Cn1cc(C#N)c(=NC(=O)N2CCOC(C)(C)C2)[n-]1	ZINC000610528043	363572807	/nfs/dbraw/zinc/57/28/07/363572807.db2.gz	IJNSURCCGYZXRP-UHFFFAOYSA-N	-1	0	263.301	0.356	20	30		CCEDRM
Cn1cc(C#N)c(=NC(=O)N[C@H](CO)Cc2ccccc2)[n-]1	ZINC000610527766	363572594	/nfs/dbraw/zinc/57/25/94/363572594.db2.gz	GIKRTWDNPJLKHY-ZDUSSCGKSA-N	-1	0	299.334	0.439	20	30		CCEDRM
CC[C@@H](COC)NC(=O)N=c1[n-]n(C)cc1C#N	ZINC000610560841	363576128	/nfs/dbraw/zinc/57/61/28/363576128.db2.gz	XEHKGMUYIULKDS-VIFPVBQESA-N	-1	0	251.290	0.260	20	30		CCEDRM
Cn1cc(C#N)c(=NC(=O)NCCOCC(F)(F)F)[n-]1	ZINC000610561979	363576807	/nfs/dbraw/zinc/57/68/07/363576807.db2.gz	GSTBXKBMTBPFMQ-UHFFFAOYSA-N	-1	0	291.233	0.414	20	30		CCEDRM
N#Cc1nc(NC(=O)CCn2cccc2)[n-]c1C#N	ZINC000610573142	363580577	/nfs/dbraw/zinc/58/05/77/363580577.db2.gz	IOTDWVQJHUBGAH-UHFFFAOYSA-N	-1	0	254.253	0.983	20	30		CCEDRM
C=CCn1cc(CNC(=O)N=c2[n-]nc(CC)s2)nn1	ZINC000425625398	358215962	/nfs/dbraw/zinc/21/59/62/358215962.db2.gz	RPGSQIZXQYKPAA-UHFFFAOYSA-N	-1	0	293.356	0.622	20	30		CCEDRM
Cn1cc(C#N)c(=NC(=O)N2CC[C@@]3(CCOC3)C2)[n-]1	ZINC000610698473	363600802	/nfs/dbraw/zinc/60/08/02/363600802.db2.gz	HSKHDSJCZZQDCE-CYBMUJFWSA-N	-1	0	275.312	0.358	20	30		CCEDRM
COCCN(CCC#N)C(=O)N=c1cc(C)c(C)n[n-]1	ZINC000610713531	363601640	/nfs/dbraw/zinc/60/16/40/363601640.db2.gz	ZJSDRAJAFNPLKV-UHFFFAOYSA-N	-1	0	277.328	0.909	20	30		CCEDRM
C[C@@H](C(=O)[O-])C1CN(S(=O)(=O)CCCC#N)C1	ZINC000564785436	358559093	/nfs/dbraw/zinc/55/90/93/358559093.db2.gz	YHVJHPJQGNDKFF-MRVPVSSYSA-N	-1	0	260.315	0.272	20	30		CCEDRM
COCc1nc(C(=O)N=c2[nH][n-]c(C3CC3)c2C#N)co1	ZINC000569956076	358808874	/nfs/dbraw/zinc/80/88/74/358808874.db2.gz	CLIXVXVWGZWIHU-UHFFFAOYSA-N	-1	0	287.279	0.967	20	30		CCEDRM
C=CCCCS(=O)(=O)N[C@H](C(=O)[O-])c1ccnn1C	ZINC000573110860	358939771	/nfs/dbraw/zinc/93/97/71/358939771.db2.gz	HPEMHCCMDINSER-JTQLQIEISA-N	-1	0	287.341	0.431	20	30		CCEDRM
C[C@H]1CCN(S(=O)(=O)CCCC#N)C[C@H]1C(=O)[O-]	ZINC000579952854	359066976	/nfs/dbraw/zinc/06/69/76/359066976.db2.gz	RXMKMPYJQZAVFN-VHSXEESVSA-N	-1	0	274.342	0.663	20	30		CCEDRM
N#CCC1CCN(C(=O)C(=O)NCCCC(=O)[O-])CC1	ZINC000581012581	359121494	/nfs/dbraw/zinc/12/14/94/359121494.db2.gz	ZEOHZJCLIFITOT-UHFFFAOYSA-N	-1	0	281.312	0.120	20	30		CCEDRM
CC(C)N([C@H](C)C(=O)[O-])S(=O)(=O)N(C)C[C@@H](C)C#N	ZINC000580837154	359100395	/nfs/dbraw/zinc/10/03/95/359100395.db2.gz	NSCZIHWKVVVBGS-VHSXEESVSA-N	-1	0	291.373	0.506	20	30		CCEDRM
N#Cc1ncn(CCN=c2[n-]c(-c3ccccc3)no2)n1	ZINC000588075603	359311406	/nfs/dbraw/zinc/31/14/06/359311406.db2.gz	VRDKUSAWCAFMMC-UHFFFAOYSA-N	-1	0	281.279	0.734	20	30		CCEDRM
C[C@H]1CC[C@@H](C(=O)[O-])N1S(=O)(=O)CCCCC#N	ZINC000585742754	359270813	/nfs/dbraw/zinc/27/08/13/359270813.db2.gz	BIRLGEKGWDRNAP-UWVGGRQHSA-N	-1	0	274.342	0.948	20	30		CCEDRM
Cn1cc(C#N)c(=NC(=O)N2CCC[C@@H]2[C@H]2CCCO2)[n-]1	ZINC000585797460	359277794	/nfs/dbraw/zinc/27/77/94/359277794.db2.gz	YMHRHOYHIIDTGF-VXGBXAGGSA-N	-1	0	289.339	0.889	20	30		CCEDRM
COc1cccnc1CC(=O)Nc1nc(C#N)c(C#N)[n-]1	ZINC000588280708	359320545	/nfs/dbraw/zinc/32/05/45/359320545.db2.gz	YVFAWZMBCLROAG-UHFFFAOYSA-N	-1	0	282.263	0.738	20	30		CCEDRM
CCc1c(C(=O)N=c2[nH][n-]c(C)c2C#N)cnn1C	ZINC000588716110	359332988	/nfs/dbraw/zinc/33/29/88/359332988.db2.gz	SRSFSMBYSHNUAZ-UHFFFAOYSA-N	-1	0	258.285	0.560	20	30		CCEDRM
N#Cc1cccc(C(=O)N=c2nc3ccccn3[n-]2)n1	ZINC000589469770	359386281	/nfs/dbraw/zinc/38/62/81/359386281.db2.gz	QLXRFBTWIMFMDQ-UHFFFAOYSA-N	-1	0	264.248	0.670	20	30		CCEDRM
CC[C@@H](C)[C@@H](CNC(=O)N=c1[n-]n(C)cc1C#N)OC	ZINC000590819571	359527048	/nfs/dbraw/zinc/52/70/48/359527048.db2.gz	NEWGPHNBHVSITH-MWLCHTKSSA-N	-1	0	279.344	0.896	20	30		CCEDRM
Cn1cc(C#N)c(=NC(=O)NC[C@@H]2C[C@H]2C2CC2)[n-]1	ZINC000590822211	359527496	/nfs/dbraw/zinc/52/74/96/359527496.db2.gz	FNDOGCFTJJZNDF-ONGXEEELSA-N	-1	0	259.313	0.881	20	30		CCEDRM
CN(CCC#N)S(=O)(=O)N1CCC(C)(C)[C@@H]1C(=O)[O-]	ZINC000591244236	359573321	/nfs/dbraw/zinc/57/33/21/359573321.db2.gz	MRQOZZZVKPGBEA-VIFPVBQESA-N	-1	0	289.357	0.262	20	30		CCEDRM
CC#CC[C@H](CO)N=c1[n-]c(C(=O)OCC)co1	ZINC000591999635	359724397	/nfs/dbraw/zinc/72/43/97/359724397.db2.gz	OWDPZUPDAOFYOH-SECBINFHSA-N	-1	0	252.270	0.459	20	30		CCEDRM
CN1C(=O)CC[C@H]1C(=O)N=c1[nH][n-]c(C2CC2)c1C#N	ZINC000329328782	202285796	/nfs/dbraw/zinc/28/57/96/202285796.db2.gz	XXEPXSQCSUROPU-VIFPVBQESA-N	-1	0	273.296	0.140	20	30		CCEDRM
Cc1n[n-]c(=NC(=O)N2CC[C@](O)(CC#N)C2)s1	ZINC000592458435	359844307	/nfs/dbraw/zinc/84/43/07/359844307.db2.gz	HOPZNYNCEIIBGD-SNVBAGLBSA-N	-1	0	267.314	0.151	20	30		CCEDRM
CCC[C@H]1CN(C(=O)N=c2[n-]n(C)cc2C#N)CCO1	ZINC000611162051	363668466	/nfs/dbraw/zinc/66/84/66/363668466.db2.gz	OSUUJZJJFYXLTD-NSHDSACASA-N	-1	0	277.328	0.746	20	30		CCEDRM
CCOC(=O)CC[C@H](C)NC(=O)N=c1[n-]n(C)cc1C#N	ZINC000611169559	363669375	/nfs/dbraw/zinc/66/93/75/363669375.db2.gz	XGLYVDKDZQARQP-VIFPVBQESA-N	-1	0	293.327	0.567	20	30		CCEDRM
Cc1[n-][nH]c(=NC(=O)[C@H]2CCn3ccnc3C2)c1C#N	ZINC000329530820	202371471	/nfs/dbraw/zinc/37/14/71/202371471.db2.gz	VXRUJHOXSZFSKC-VIFPVBQESA-N	-1	0	270.296	0.409	20	30		CCEDRM
C=CCn1cc(C(=O)N=c2[n-]n(C(C)(C)C)cc2C#N)nn1	ZINC000592603250	359900367	/nfs/dbraw/zinc/90/03/67/359900367.db2.gz	YBCQDERVAKDADV-UHFFFAOYSA-N	-1	0	299.338	0.961	20	30		CCEDRM
Cc1c(C#N)c(=NC(=O)c2cnc(C)nc2C)[n-]n1C	ZINC000592654652	359910272	/nfs/dbraw/zinc/91/02/72/359910272.db2.gz	SHPHCVUXMPNGLZ-UHFFFAOYSA-N	-1	0	270.296	0.681	20	30		CCEDRM
C[C@H](C#N)CN(C)S(=O)(=O)N1[C@@H](C)CC[C@H]1C(=O)[O-]	ZINC000593222641	360052586	/nfs/dbraw/zinc/05/25/86/360052586.db2.gz	QOIFDZBUISROCG-UTLUCORTSA-N	-1	0	289.357	0.260	20	30		CCEDRM
CC(=O)NCC(C)(C)C(=O)N=c1[nH][n-]c(C2CC2)c1C#N	ZINC000593897257	360197326	/nfs/dbraw/zinc/19/73/26/360197326.db2.gz	HZZKCBFLNJNZDM-UHFFFAOYSA-N	-1	0	289.339	0.681	20	30		CCEDRM
N#Cc1ccc(S(=O)(=O)N[C@H](CCF)C(=O)[O-])s1	ZINC000594574045	360332635	/nfs/dbraw/zinc/33/26/35/360332635.db2.gz	XZNOYFZYADWNIX-SSDOTTSWSA-N	-1	0	292.313	0.711	20	30		CCEDRM
Cc1nc(NC(=O)C(=O)NC[C@@H](C)C(=O)[O-])ccc1C#N	ZINC000594526602	360325706	/nfs/dbraw/zinc/32/57/06/360325706.db2.gz	CWXABRLSQFNABI-SSDOTTSWSA-N	-1	0	290.279	0.037	20	30		CCEDRM
C#CCO[N-]C(=O)[C@H](C)N1C(=O)c2ccc(C)cc2C1=O	ZINC000298558278	200468473	/nfs/dbraw/zinc/46/84/73/200468473.db2.gz	YYDXFMHHTHEKAX-JTQLQIEISA-N	-1	0	286.287	0.661	20	30		CCEDRM
C[C@@H](NC(=O)NCCc1ccc(C#N)cc1)C(=O)[O-]	ZINC000594684074	360359330	/nfs/dbraw/zinc/35/93/30/360359330.db2.gz	DFRHWZXFXXSLAC-SECBINFHSA-N	-1	0	261.281	0.873	20	30		CCEDRM
N#Cc1cc(C(=O)N=c2nc3ccccn3[n-]2)c[nH]1	ZINC000611522429	363732063	/nfs/dbraw/zinc/73/20/63/363732063.db2.gz	LOQIHJPPHHDWBC-UHFFFAOYSA-N	-1	0	252.237	0.603	20	30		CCEDRM
COC(=O)c1ccc(N2CC(C(=O)[O-])C2)c(C#N)n1	ZINC000595968847	360742581	/nfs/dbraw/zinc/74/25/81/360742581.db2.gz	MGOIXJKJRKZCEZ-UHFFFAOYSA-N	-1	0	261.237	0.261	20	30		CCEDRM
COc1cc(C#N)ccc1O[C@@H]1CCN(CC(=O)[O-])C1=O	ZINC000596009303	360774431	/nfs/dbraw/zinc/77/44/31/360774431.db2.gz	NVRLQEOXGWYSJU-LLVKDONJSA-N	-1	0	290.275	0.631	20	30		CCEDRM
C[C@@H]1[C@H]2C[C@]1(C(=O)[O-])N(S(=O)(=O)CC1(C#N)CC1)C2	ZINC000596040178	360780178	/nfs/dbraw/zinc/78/01/78/360780178.db2.gz	RMXWUZQHCAPJJR-PTRXPTGYSA-N	-1	0	284.337	0.415	20	30		CCEDRM
C[C@H](CC#N)NC(=O)c1cc(S(N)(=O)=O)ccc1[O-]	ZINC000596998712	360992315	/nfs/dbraw/zinc/99/23/15/360992315.db2.gz	PLCZEOWCQJXYSS-SSDOTTSWSA-N	-1	0	283.309	0.072	20	30		CCEDRM
CC(C)[C@H](C#N)NC(=O)c1cc(S(N)(=O)=O)ccc1[O-]	ZINC000597187009	361026950	/nfs/dbraw/zinc/02/69/50/361026950.db2.gz	CILXCYIICKMWPW-JTQLQIEISA-N	-1	0	297.336	0.318	20	30		CCEDRM
C=C[C@](C)(O)C(=O)Nc1c[nH]c(C(=O)OCC)n1	ZINC000597563098	361139793	/nfs/dbraw/zinc/13/97/93/361139793.db2.gz	PSVOYKARFMAGOP-NSHDSACASA-N	-1	0	253.258	0.462	20	30		CCEDRM
Cn1c(C#N)ccc1C(=O)N=c1[n-]nc(C2CC2)n1C	ZINC000597899231	361279831	/nfs/dbraw/zinc/27/98/31/361279831.db2.gz	XMOJGPBRDUXJFW-UHFFFAOYSA-N	-1	0	270.296	0.577	20	30		CCEDRM
CCN(C(=O)CSc1n[nH]c(=O)[n-]1)[C@H](C)C#N	ZINC000598361900	361396658	/nfs/dbraw/zinc/39/66/58/361396658.db2.gz	RXBJKHPZMPLHLJ-ZCFIWIBFSA-N	-1	0	255.303	0.363	20	30		CCEDRM
Cc1[n-][nH]c(=NC(=O)[C@H]2CCc3nc[nH]c3C2)c1C#N	ZINC000598698944	361489906	/nfs/dbraw/zinc/48/99/06/361489906.db2.gz	FMPAKUFJQCZYJP-QMMMGPOBSA-N	-1	0	270.296	0.478	20	30		CCEDRM
Cc1[n-][nH]c(=NC(=O)C(C)(C)c2c[nH]cn2)c1C#N	ZINC000598699971	361490457	/nfs/dbraw/zinc/49/04/57/361490457.db2.gz	LKQHNQUCQDCDRQ-UHFFFAOYSA-N	-1	0	258.285	0.651	20	30		CCEDRM
COCc1cncc(C(=O)Nc2nc(C#N)c(C#N)[n-]2)c1	ZINC000613244729	364178448	/nfs/dbraw/zinc/17/84/48/364178448.db2.gz	WYSPDTCFJUTYDS-UHFFFAOYSA-N	-1	0	282.263	0.947	20	30		CCEDRM
C=CCCCCNC(=O)C(=O)NC[C@H](C)C(=O)[O-]	ZINC000656006764	412732395	/nfs/dbraw/zinc/73/23/95/412732395.db2.gz	UJOJIBFHLMEGTN-VIFPVBQESA-N	-1	0	256.302	0.296	20	30		CCEDRM
N#Cc1nc(NC(=O)[C@H]2CCc3nccn3C2)[n-]c1C#N	ZINC000615931272	365134658	/nfs/dbraw/zinc/13/46/58/365134658.db2.gz	FAQIXEGNJAAXPW-QMMMGPOBSA-N	-1	0	281.279	0.551	20	30		CCEDRM
CCC(O)(CC)CCNC(=O)N=c1[n-]n(C)cc1C#N	ZINC000615979612	365148400	/nfs/dbraw/zinc/14/84/00/365148400.db2.gz	JXTUFAYWDPAGPH-UHFFFAOYSA-N	-1	0	279.344	0.776	20	30		CCEDRM
C=CCOC[C@@H](NC(=O)c1ccc(OC)cc1O)C(=O)[O-]	ZINC000622000597	366974268	/nfs/dbraw/zinc/97/42/68/366974268.db2.gz	ULZOPNPINQKOGA-LLVKDONJSA-N	-1	0	295.291	0.786	20	30		CCEDRM
C=CCOC[C@H](NC(=O)c1noc2c1COCC2)C(=O)[O-]	ZINC000623176899	367464217	/nfs/dbraw/zinc/46/42/17/367464217.db2.gz	ZHMBUKKYTGXHKX-VIFPVBQESA-N	-1	0	296.279	0.133	20	30		CCEDRM
C=C[C@H](C)NC(=O)c1ccc([N-]S(C)(=O)=O)nc1	ZINC000626066541	368419725	/nfs/dbraw/zinc/41/97/25/368419725.db2.gz	KJEXRIJJLMEQQW-QMMMGPOBSA-N	-1	0	269.326	0.757	20	30		CCEDRM
N#Cc1cccc(CS(=O)(=O)N[C@H]2C[C@H](C(=O)[O-])C2)c1	ZINC000567161030	291462438	/nfs/dbraw/zinc/46/24/38/291462438.db2.gz	JHFITGYTUDKZET-HAQNSBGRSA-N	-1	0	294.332	0.841	20	30		CCEDRM
C=CC[C@@H]1CCN(C(=O)c2cnc([O-])n(C)c2=O)C1	ZINC000628488664	369276175	/nfs/dbraw/zinc/27/61/75/369276175.db2.gz	FHRQSOFCKVUIQX-SECBINFHSA-N	-1	0	263.297	0.524	20	30		CCEDRM
Cc1[n-][nH]c(=NC(=O)c2cn(C)nc2C(F)F)c1C#N	ZINC000567264405	291470932	/nfs/dbraw/zinc/47/09/32/291470932.db2.gz	FTIUHZTTZYJBJU-UHFFFAOYSA-N	-1	0	280.238	0.935	20	30		CCEDRM
C=CCOC[C@@H](NC(=O)C1CC(OC)C1)C(=O)[O-]	ZINC000630186524	369995962	/nfs/dbraw/zinc/99/59/62/369995962.db2.gz	UKSMHFMEXIEUFM-UDNWOFFPSA-N	-1	0	257.286	0.183	20	30		CCEDRM
C=CCOC[C@@H](NC(=O)c1cnn(CC2CC2)c1)C(=O)[O-]	ZINC000630187379	369997013	/nfs/dbraw/zinc/99/70/13/369997013.db2.gz	OFOUUFDGRBNZMO-GFCCVEGCSA-N	-1	0	293.323	0.679	20	30		CCEDRM
C=CCN(C(=O)[C@@H]1C[C@H](C)[C@@H](C(=O)[O-])O1)[C@H](C)COC	ZINC000630206027	370006771	/nfs/dbraw/zinc/00/67/71/370006771.db2.gz	AIRNOHFVSAZJKV-USZNOCQGSA-N	-1	0	285.340	0.914	20	30		CCEDRM
C=C(C)C[C@@H](NC(=O)c1nccnc1N)C(=O)[O-]	ZINC000630319472	370046058	/nfs/dbraw/zinc/04/60/58/370046058.db2.gz	BFOAJQKOKQXKQF-SSDOTTSWSA-N	-1	0	250.258	0.208	20	30		CCEDRM
C=C(C)C[C@@H](NC(=O)Cn1ccc(C)cc1=O)C(=O)[O-]	ZINC000630322124	370047023	/nfs/dbraw/zinc/04/70/23/370047023.db2.gz	PPISXXZSLAYXLZ-LLVKDONJSA-N	-1	0	278.308	0.692	20	30		CCEDRM
C=C(C)[C@H]1OCC[C@H]1CNC(=O)c1cnc(C(=O)[O-])cn1	ZINC000630303453	370037488	/nfs/dbraw/zinc/03/74/88/370037488.db2.gz	XZONAOOQIUIVCV-JOYOIKCWSA-N	-1	0	291.307	0.886	20	30		CCEDRM
C=CCn1cc(C(=O)N2C[C@@H](C)[C@](C)(C(=O)[O-])C2)nn1	ZINC000630305290	370038853	/nfs/dbraw/zinc/03/88/53/370038853.db2.gz	TXGDKTULHVEWDQ-NOZJJQNGSA-N	-1	0	278.312	0.647	20	30		CCEDRM
C=CCC[C@H](NC(=O)Cc1cnn(C)c1)C(=O)[O-]	ZINC000630181647	369994116	/nfs/dbraw/zinc/99/41/16/369994116.db2.gz	JVZRUUCVAKSNQM-JTQLQIEISA-N	-1	0	251.286	0.498	20	30		CCEDRM
C=C(C)C[C@@H](NS(=O)(=O)[C@@H](C)CCOC)C(=O)[O-]	ZINC000630437259	370115790	/nfs/dbraw/zinc/11/57/90/370115790.db2.gz	ABMDLXXMGCOOAF-VHSXEESVSA-N	-1	0	279.358	0.750	20	30		CCEDRM
C=C(C)C[C@@H](NS(=O)(=O)CC[C@@H]1CCCO1)C(=O)[O-]	ZINC000630438171	370116020	/nfs/dbraw/zinc/11/60/20/370116020.db2.gz	MYDHONBGMXQRKD-WDEREUQCSA-N	-1	0	291.369	0.894	20	30		CCEDRM
C=C(C)C[C@H](NS(=O)(=O)C[C@H]1CCCCO1)C(=O)[O-]	ZINC000630438759	370117216	/nfs/dbraw/zinc/11/72/16/370117216.db2.gz	YQXURLLZHFESEA-MNOVXSKESA-N	-1	0	291.369	0.894	20	30		CCEDRM
COc1ccc(Cl)c(S(=O)(=O)NCC#CCO)c1	ZINC000632516625	371118156	/nfs/dbraw/zinc/11/81/56/371118156.db2.gz	PDHOFHNJRDQEAM-UHFFFAOYSA-N	-1	0	289.740	0.623	20	30		CCEDRM
CC(C)[C@@H](CC(=O)[O-])NS(=O)(=O)N(C)CCC#N	ZINC000574379880	335014577	/nfs/dbraw/zinc/01/45/77/335014577.db2.gz	JBVYTQAAQZMGBJ-SECBINFHSA-N	-1	0	277.346	0.166	20	30		CCEDRM
Cc1cc(S(=O)(=O)N2CC[C@@H](C(=O)[O-])C2)ccc1C#N	ZINC000235836081	189831231	/nfs/dbraw/zinc/83/12/31/189831231.db2.gz	GSMHZPJMXASZJZ-LLVKDONJSA-N	-1	0	294.332	0.962	20	30		CCEDRM
C=C(C)CN(CC)C(=O)C(=O)N1CC[C@@H](C)[C@@H](C(=O)[O-])C1	ZINC000574400798	335016487	/nfs/dbraw/zinc/01/64/87/335016487.db2.gz	YAVXRMLLQVEZQG-NEPJUHHUSA-N	-1	0	296.367	0.980	20	30		CCEDRM
C=CCn1cc(CNC(=O)[C@@H]2[C@@H](C(=O)[O-])C2(C)C)nn1	ZINC000634843744	372268654	/nfs/dbraw/zinc/26/86/54/372268654.db2.gz	USDGEYGWZGYJHU-UWVGGRQHSA-N	-1	0	278.312	0.437	20	30		CCEDRM
C=C(C)COCCNC(=O)CCCc1nnn[n-]1	ZINC000635690489	372767775	/nfs/dbraw/zinc/76/77/75/372767775.db2.gz	UARYGSYSCSXQQF-UHFFFAOYSA-N	-1	0	253.306	0.231	20	30		CCEDRM
C=C(C)[C@@H]1OCC[C@H]1CNC(=O)C[C@]1(C(=O)[O-])CCOC1	ZINC000656483276	412811205	/nfs/dbraw/zinc/81/12/05/412811205.db2.gz	VGXCEZASCQIMIW-CORIIIEPSA-N	-1	0	297.351	0.965	20	30		CCEDRM
C=CCOCCCNC(=O)N[C@H](C(=O)[O-])C1CC1	ZINC000656595103	412833573	/nfs/dbraw/zinc/83/35/73/412833573.db2.gz	BWRBNBHZVFXGFI-JTQLQIEISA-N	-1	0	256.302	0.742	20	30		CCEDRM
C=CCOCCCC(=O)N[C@]1(C(=O)[O-])CCOC1	ZINC000262057959	190047650	/nfs/dbraw/zinc/04/76/50/190047650.db2.gz	GPFOVICRHVUZEK-GFCCVEGCSA-N	-1	0	257.286	0.329	20	30		CCEDRM
N#Cc1ccc(S(=O)(=O)N2CCC[C@H]2C(=O)[O-])o1	ZINC000262336441	190053738	/nfs/dbraw/zinc/05/37/38/190053738.db2.gz	XFJSRJFSBWDHII-QMMMGPOBSA-N	-1	0	270.266	0.389	20	30		CCEDRM
C#CCOc1ccc(C(=O)NCCOCC(=O)[O-])cc1	ZINC000263432045	190068847	/nfs/dbraw/zinc/06/88/47/190068847.db2.gz	KWYOKHUFBUDKDT-UHFFFAOYSA-N	-1	0	277.276	0.530	20	30		CCEDRM
COc1cc(CNC(=O)c2n[nH]c(=O)[n-]2)ccc1C#N	ZINC000517269294	249214055	/nfs/dbraw/zinc/21/40/55/249214055.db2.gz	PXNKKWFQANXVOT-UHFFFAOYSA-N	-1	0	273.252	0.321	20	30		CCEDRM
C=CCSCCNC(=O)C(=O)[N-]OCCSC	ZINC000286491480	388841023	/nfs/dbraw/zinc/84/10/23/388841023.db2.gz	MOVFABVOHVTASO-UHFFFAOYSA-N	-1	0	278.399	0.433	20	30		CCEDRM
CC(C)[C@H]1C(=O)NCCN1C(=O)c1ccc(C#N)c(O)c1	ZINC000188438629	388927776	/nfs/dbraw/zinc/92/77/76/388927776.db2.gz	JFNXVPFXPPLFNL-ZDUSSCGKSA-N	-1	0	287.319	0.860	20	30		CCEDRM
C=CCCCS(=O)(=O)N[C@@H](CC(=O)CC)C(=O)[O-]	ZINC000291816721	388938187	/nfs/dbraw/zinc/93/81/87/388938187.db2.gz	DNNSXEKKXSLXNZ-JTQLQIEISA-N	-1	0	277.342	0.694	20	30		CCEDRM
C#Cc1cccc(NC(=O)C(=O)[N-]OC[C@@H]2CCOC2)c1	ZINC000190780585	388999208	/nfs/dbraw/zinc/99/92/08/388999208.db2.gz	UFHMIZNUHOODMK-GFCCVEGCSA-N	-1	0	288.303	0.691	20	30		CCEDRM
CC[C@@](C)(C#N)C(=O)NCCCc1n[nH]c(=O)[n-]1	ZINC000354337265	389020733	/nfs/dbraw/zinc/02/07/33/389020733.db2.gz	UXYCIBBIEHMLIX-NSHDSACASA-N	-1	0	251.290	0.499	20	30		CCEDRM
C=CCCOCCNC(=O)N(C)C[C@H](C)C(=O)[O-]	ZINC000231836111	389160547	/nfs/dbraw/zinc/16/05/47/389160547.db2.gz	NOQAIILZKNTZAP-JTQLQIEISA-N	-1	0	258.318	0.941	20	30		CCEDRM
N#C[C@H]1CN(C(=O)c2cccc([N+](=O)[O-])c2[O-])CCO1	ZINC000133390515	389234242	/nfs/dbraw/zinc/23/42/42/389234242.db2.gz	JUUJDYRLQWRRLS-QMMMGPOBSA-N	-1	0	277.236	0.665	20	30		CCEDRM
C=CCn1c(SCc2nc(COC)no2)n[n-]c1=N	ZINC000346449070	389329452	/nfs/dbraw/zinc/32/94/52/389329452.db2.gz	DGHRFYLSQTVRMJ-UHFFFAOYSA-N	-1	0	282.329	0.698	20	30		CCEDRM
N#CCN1CCC(CNC(=O)N=c2[n-]ncs2)CC1	ZINC000331013001	389282276	/nfs/dbraw/zinc/28/22/76/389282276.db2.gz	NWFYFZGIPWPURR-UHFFFAOYSA-N	-1	0	280.357	0.521	20	30		CCEDRM
C=CCC[C@@H](NC(=O)CN1CSCC1=O)C(=O)[O-]	ZINC000262959498	389296427	/nfs/dbraw/zinc/29/64/27/389296427.db2.gz	ROQRKMBILWCRNW-MRVPVSSYSA-N	-1	0	272.326	0.055	20	30		CCEDRM
Cc1cc([N-]S(=O)(=O)c2c[nH]nc2C)nn1CCC#N	ZINC000271096754	389439123	/nfs/dbraw/zinc/43/91/23/389439123.db2.gz	WRJALQIDXAQQJY-UHFFFAOYSA-N	-1	0	294.340	0.938	20	30		CCEDRM
N#Cc1nc(NC(=O)COCc2cccnc2)[n-]c1C#N	ZINC000351244435	389571166	/nfs/dbraw/zinc/57/11/66/389571166.db2.gz	AYZMQSOJTPJDBB-UHFFFAOYSA-N	-1	0	282.263	0.703	20	30		CCEDRM
C[C@]1(C(=O)[O-])CCCCN1S(=O)(=O)CCCC#N	ZINC000374208402	389558083	/nfs/dbraw/zinc/55/80/83/389558083.db2.gz	ZVZOGEHBCDRUIV-LLVKDONJSA-N	-1	0	274.342	0.949	20	30		CCEDRM
C=C(C)[C@H]1OCC[C@H]1C(=O)Nc1n[nH]c(CC(=O)OC)n1	ZINC000278858524	389563333	/nfs/dbraw/zinc/56/33/33/389563333.db2.gz	DTJDHJUSSAMDIN-LDYMZIIASA-N	-1	0	294.311	0.440	20	30		CCEDRM
C=CCCn1cc(C(=O)N[C@H](CCC)c2nnn[n-]2)nn1	ZINC000424703020	389629088	/nfs/dbraw/zinc/62/90/88/389629088.db2.gz	GKYISWVIWICTFP-SECBINFHSA-N	-1	0	290.331	0.639	20	30		CCEDRM
C=CC[C@H](CC)NC(=O)c1cnc([O-])n(C)c1=O	ZINC000281864011	389630240	/nfs/dbraw/zinc/63/02/40/389630240.db2.gz	YXTFNRKFGBJLSD-QMMMGPOBSA-N	-1	0	251.286	0.570	20	30		CCEDRM
C=CCCn1cc(C(=O)N2C[C@H](OC)C[C@@H]2C(=O)[O-])nn1	ZINC000425239763	389642595	/nfs/dbraw/zinc/64/25/95/389642595.db2.gz	KXFNNROWRZVYRG-MWLCHTKSSA-N	-1	0	294.311	0.168	20	30		CCEDRM
C=CCCn1cc(C(=O)N[C@@H](CC(F)F)C(=O)[O-])nn1	ZINC000425257037	389642863	/nfs/dbraw/zinc/64/28/63/389642863.db2.gz	PKMUZHMMBIKHAM-ZETCQYMHSA-N	-1	0	288.254	0.692	20	30		CCEDRM
C=C[C@@H]1OCCC[C@H]1C(=O)N1C[C@@H](C)O[C@H](C(=O)[O-])C1	ZINC000425239166	389643104	/nfs/dbraw/zinc/64/31/04/389643104.db2.gz	KFKXBHMEGYAABS-WYUUTHIRSA-N	-1	0	283.324	0.668	20	30		CCEDRM
C=CC[C@H](CO)CNS(=O)(=O)[N-]CC(F)(F)F	ZINC000443055494	389872472	/nfs/dbraw/zinc/87/24/72/389872472.db2.gz	YWNOXWGLUACWIP-ZETCQYMHSA-N	-1	0	276.280	0.157	20	30		CCEDRM
CC#CCCNC(=O)Cc1c(C)nc2cc[n-]n2c1=O	ZINC000353942269	389856913	/nfs/dbraw/zinc/85/69/13/389856913.db2.gz	GEYKOXSEONAATM-UHFFFAOYSA-N	-1	0	272.308	0.403	20	30		CCEDRM
C=C[C@@H](C)NC(=O)c1cc(S(=O)(=O)N(C)C)ccc1[O-]	ZINC000436772257	389984809	/nfs/dbraw/zinc/98/48/09/389984809.db2.gz	DMBFUXNGDMMVCQ-SECBINFHSA-N	-1	0	298.364	0.947	20	30		CCEDRM
Cn1cc(C#N)c([N-]S(=O)(=O)c2ccco2)n1	ZINC000437657642	389995474	/nfs/dbraw/zinc/99/54/74/389995474.db2.gz	VWBIOMPUBICLIL-UHFFFAOYSA-N	-1	0	252.255	0.686	20	30		CCEDRM
N#Cc1ccc(C=CC(=O)NC2(c3nnn[n-]3)CC2)cc1	ZINC000493362268	390124095	/nfs/dbraw/zinc/12/40/95/390124095.db2.gz	BJWUNVBQFQOMRK-WAYWQWQTSA-N	-1	0	280.291	0.890	20	30		CCEDRM
N#CCCCS(=O)(=O)N1CCC[C@H](CC(=O)[O-])C1	ZINC000535512629	390144634	/nfs/dbraw/zinc/14/46/34/390144634.db2.gz	AAKWFEOMWCBXJG-SNVBAGLBSA-N	-1	0	274.342	0.807	20	30		CCEDRM
C=CCn1cc(C(=O)N2CC[C@@H](C)[C@@H](C(=O)[O-])C2)nn1	ZINC000647747651	390158670	/nfs/dbraw/zinc/15/86/70/390158670.db2.gz	TVMJAFVCBMXEGN-ZJUUUORDSA-N	-1	0	278.312	0.647	20	30		CCEDRM
C=CCOC[C@@H](NC(=O)NCc1nccs1)C(=O)[O-]	ZINC000579822288	390211239	/nfs/dbraw/zinc/21/12/39/390211239.db2.gz	KOYPGGWEHIQIDN-MRVPVSSYSA-N	-1	0	285.325	0.598	20	30		CCEDRM
COC(=O)N1CCC[C@@H](C(=O)N=c2[nH][n-]c(C)c2C#N)C1	ZINC000497081570	390413987	/nfs/dbraw/zinc/41/39/87/390413987.db2.gz	NGSMSRLBIJPHJL-SECBINFHSA-N	-1	0	291.311	0.429	20	30		CCEDRM
CC#CC[C@H](CO)N=c1nc([C@@H](C)OC)[n-]s1	ZINC000645407332	390422570	/nfs/dbraw/zinc/42/25/70/390422570.db2.gz	SBZRDJOYJGOFRV-RKDXNWHRSA-N	-1	0	255.343	0.854	20	30		CCEDRM
C=CCCOCC(=O)N1CCC(c2n[nH]c(=O)[n-]2)CC1	ZINC000648888665	390435127	/nfs/dbraw/zinc/43/51/27/390435127.db2.gz	JEFGPHYXUBSOPF-UHFFFAOYSA-N	-1	0	280.328	0.809	20	30		CCEDRM
C[C@@H]([C@@H](NS(=O)(=O)N(C)CCC#N)C(=O)[O-])C1CC1	ZINC000554680020	390439371	/nfs/dbraw/zinc/43/93/71/390439371.db2.gz	IFEZJJVPNMOEDV-PSASIEDQSA-N	-1	0	289.357	0.166	20	30		CCEDRM
C=C(C)CS(=O)(=O)N[C@@H](Cn1cc(C)cn1)C(=O)[O-]	ZINC000564730757	390496486	/nfs/dbraw/zinc/49/64/86/390496486.db2.gz	HBEYZMYRDZTTRZ-JTQLQIEISA-N	-1	0	287.341	0.140	20	30		CCEDRM
C[C@H]1C[C@@]1(C#N)C(=O)N1CCC(c2n[nH]c(=O)[n-]2)CC1	ZINC000565026258	390498961	/nfs/dbraw/zinc/49/89/61/390498961.db2.gz	JPUJOOUCFZCFSQ-SDBXPKJASA-N	-1	0	275.312	0.766	20	30		CCEDRM
C=C(C)[C@H]1OCC[C@H]1C(=O)NCCSCC(=O)[O-]	ZINC000515654176	390478116	/nfs/dbraw/zinc/47/81/16/390478116.db2.gz	HSTODXJZMVLHFF-MWLCHTKSSA-N	-1	0	273.354	0.902	20	30		CCEDRM
C=CCOCC(=O)N1CCC[C@]1(COC)C(=O)[O-]	ZINC000643849914	390582743	/nfs/dbraw/zinc/58/27/43/390582743.db2.gz	HXAYEHIGWJPZSB-LBPRGKRZSA-N	-1	0	257.286	0.281	20	30		CCEDRM
C[C@@H](CCC(=O)[O-])NS(=O)(=O)N(C)[C@@H](C)CC#N	ZINC000519653895	390525683	/nfs/dbraw/zinc/52/56/83/390525683.db2.gz	OVMNAPQAGFBCRI-IUCAKERBSA-N	-1	0	277.346	0.308	20	30		CCEDRM
C=CCn1cc(C(=O)N2CCC[C@@H]2CC(=O)[O-])nn1	ZINC000649250713	390537328	/nfs/dbraw/zinc/53/73/28/390537328.db2.gz	SEEFEGKIGBMXAS-SECBINFHSA-N	-1	0	264.285	0.543	20	30		CCEDRM
C=CCOC[C@@H](NS(=O)(=O)CCCC)C(=O)[O-]	ZINC000519773012	390542074	/nfs/dbraw/zinc/54/20/74/390542074.db2.gz	MRRMZHNOXNFABP-SECBINFHSA-N	-1	0	265.331	0.362	20	30		CCEDRM
N#Cc1nccc(N2CCC(c3n[nH]c(=O)[n-]3)CC2)n1	ZINC000566486859	390622002	/nfs/dbraw/zinc/62/20/02/390622002.db2.gz	ONAFFQCIIYKVCN-UHFFFAOYSA-N	-1	0	271.284	0.556	20	30		CCEDRM
CC#CC[C@@H](CO)NC(=O)N=c1[n-]nc(CC)s1	ZINC000646172284	390623485	/nfs/dbraw/zinc/62/34/85/390623485.db2.gz	JIUGXAGVKXUFKE-QMMMGPOBSA-N	-1	0	268.342	0.418	20	30		CCEDRM
CC#CC[C@@H](CO)NC(=O)N=c1nc(SC)[n-]s1	ZINC000646297985	390662013	/nfs/dbraw/zinc/66/20/13/390662013.db2.gz	IHMWIQYZHAJBPY-ZETCQYMHSA-N	-1	0	286.382	0.578	20	30		CCEDRM
CCN(C[C@H](C)C(=O)[O-])S(=O)(=O)N(C)[C@@H](C)CC#N	ZINC000568002266	390711897	/nfs/dbraw/zinc/71/18/97/390711897.db2.gz	WUOGGPVNDMABAP-UWVGGRQHSA-N	-1	0	291.373	0.508	20	30		CCEDRM
C=CCC[C@@H](NC(=O)[C@H]1CCCS1(=O)=O)C(=O)[O-]	ZINC000568412899	390713747	/nfs/dbraw/zinc/71/37/47/390713747.db2.gz	MUWOGJZJJQSACL-RKDXNWHRSA-N	-1	0	275.326	0.099	20	30		CCEDRM
C[C@H](Sc1n[n-]c(=N)n1C)C(=O)NC1(C#N)CCC1	ZINC000569120097	390715833	/nfs/dbraw/zinc/71/58/33/390715833.db2.gz	ZLNYERJAYQKIPH-ZETCQYMHSA-N	-1	0	280.357	0.271	20	30		CCEDRM
C=CCN(C)C(=O)C(=O)N=c1ncn(Cc2ccccc2)[n-]1	ZINC000525855755	390666582	/nfs/dbraw/zinc/66/65/82/390666582.db2.gz	CMACJMRCJKLQAZ-UHFFFAOYSA-N	-1	0	299.334	0.331	20	30		CCEDRM
C=CCN(C)C(=O)C(=O)N=c1ncn(C(C)(C)C)[n-]1	ZINC000526103192	390677354	/nfs/dbraw/zinc/67/73/54/390677354.db2.gz	SDRYKQLLCWDNSK-UHFFFAOYSA-N	-1	0	265.317	0.038	20	30		CCEDRM
CN(CCC#N)S(=O)(=O)N1CCCC[C@@]1(C)C(=O)[O-]	ZINC000578407302	390881787	/nfs/dbraw/zinc/88/17/87/390881787.db2.gz	MDQFWGYHGZSQBW-NSHDSACASA-N	-1	0	289.357	0.406	20	30		CCEDRM
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C=CCCCNC(=O)C(=O)NCC1(C(=O)[O-])CCOCC1	ZINC000647586924	390843746	/nfs/dbraw/zinc/84/37/46/390843746.db2.gz	RNJFXOJXFCGSLT-UHFFFAOYSA-N	-1	0	298.339	0.066	20	30		CCEDRM
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C=CCOC[C@@H](NC(=O)c1cc(OC)ccn1)C(=O)[O-]	ZINC000653659042	412333400	/nfs/dbraw/zinc/33/34/00/412333400.db2.gz	BBSQXZUAWNGSMF-LLVKDONJSA-N	-1	0	280.280	0.476	20	30		CCEDRM
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C=CCCNC(=O)NCC1(C(=O)[O-])CCOCC1	ZINC000162107049	544710648	/nfs/dbraw/zinc/71/06/48/544710648.db2.gz	AENQWHBVCDBCRV-UHFFFAOYSA-N	-1	0	256.302	0.743	20	30		CCEDRM
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Cc1nn2c(nc(C)cc2C)c1C(=O)[N-]S(C)(=O)=O	ZINC000069539698	260150526	/nfs/dbraw/zinc/15/05/26/260150526.db2.gz	CXWPIPKTNRZNJS-UHFFFAOYSA-N	-1	0	282.325	0.919	20	30		CCEDRM
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C=CCCC[C@H](C)NC(=O)C(=O)N=c1nc(C)n(C)[n-]1	ZINC000340165531	263082205	/nfs/dbraw/zinc/08/22/05/263082205.db2.gz	UNGAYJZXQXCIKE-VIFPVBQESA-N	-1	0	279.344	0.345	20	30		CCEDRM
C[C@H](O)C(C)(C)NC(=O)c1cccn2c([O-])nnc12	ZINC000330792231	264039651	/nfs/dbraw/zinc/03/96/51/264039651.db2.gz	BWRLPGKCCYXQAV-ZETCQYMHSA-N	-1	0	264.285	0.899	20	30		CCEDRM
C[C@H](CO)N(C[C@H](C)O)C(=O)N=c1cn[n-]s1	ZINC000331141717	264136476	/nfs/dbraw/zinc/13/64/76/264136476.db2.gz	FSIRKEGZTICZQP-RQJHMYQMSA-N	-1	0	260.319	0.147	20	30		CCEDRM
COC[C@H]1CN(C([O-])=Nc2cccn(C)c2=O)CCO1	ZINC000331241598	264176878	/nfs/dbraw/zinc/17/68/78/264176878.db2.gz	KBVVZQNRCKWHEZ-SNVBAGLBSA-N	-1	0	281.312	0.278	20	30		CCEDRM
CC(C)(C)[C@H](NS(=O)(=O)CC1(C#N)CC1)C(N)=O	ZINC000165206420	264202915	/nfs/dbraw/zinc/20/29/15/264202915.db2.gz	PXYQRBPNIGYAQP-MRVPVSSYSA-N	-1	0	273.358	0.110	20	30		CCEDRM
C#CCSCCNC(=O)N1CC[C@@](C)(C(=O)[O-])C1	ZINC000231959785	264804544	/nfs/dbraw/zinc/80/45/44/264804544.db2.gz	ALRHSLGZWUBUAV-GFCCVEGCSA-N	-1	0	270.354	0.859	20	30		CCEDRM
C=CCNC(=O)CNC(=O)c1cc([O-])cc([N+](=O)[O-])c1	ZINC000356799825	266177250	/nfs/dbraw/zinc/17/72/50/266177250.db2.gz	YMEAJEAWMSLJGF-UHFFFAOYSA-N	-1	0	279.252	0.332	20	30		CCEDRM
Cc1ccc(C#N)cc1S(=O)(=O)N1CC[C@H]1C(=O)[O-]	ZINC000290861549	301489029	/nfs/dbraw/zinc/48/90/29/301489029.db2.gz	AAMVYFONZJHXDK-JTQLQIEISA-N	-1	0	280.305	0.714	20	30		CCEDRM
Cn1cccc(N=C([O-])N2C[C@@H]3CC[C@H](O)[C@H]3C2)c1=O	ZINC000329576665	302960084	/nfs/dbraw/zinc/96/00/84/302960084.db2.gz	SJWFKZWUWHZYLM-NHCYSSNCSA-N	-1	0	277.324	0.634	20	30		CCEDRM
N#CC1(NC(=O)c2c[n-]n3c2nccc3=O)CCCCC1	ZINC000332745891	303146940	/nfs/dbraw/zinc/14/69/40/303146940.db2.gz	GSLSSBGGEHHNIS-UHFFFAOYSA-N	-1	0	285.307	0.979	20	30		CCEDRM
N#Cc1nc(NC(=O)[C@@H]2CSCCS2)[n-]c1C#N	ZINC000175191919	303216336	/nfs/dbraw/zinc/21/63/36/303216336.db2.gz	FIELFUNYZPBKAN-QMMMGPOBSA-N	-1	0	279.350	0.940	20	30		CCEDRM
C=CCOC[C@H](NC(=O)NC[C@@H]1CCCS1)C(=O)[O-]	ZINC000570780357	327618552	/nfs/dbraw/zinc/61/85/52/327618552.db2.gz	FAVYBEKTQZTQCI-UWVGGRQHSA-N	-1	0	288.369	0.837	20	30		CCEDRM
COC(=O)N(C)CC(=O)[N-]S(=O)(=O)c1cccnc1	ZINC000048518402	328309617	/nfs/dbraw/zinc/30/96/17/328309617.db2.gz	WRDDYLHZPUNLJG-UHFFFAOYSA-N	-1	0	287.297	0.425	20	30		CCEDRM
C=CCCCS(=O)(=O)[N-]c1cnc(C(=O)OC)cn1	ZINC000291845877	328534976	/nfs/dbraw/zinc/53/49/76/328534976.db2.gz	IAENWBRDKZNYGI-UHFFFAOYSA-N	-1	0	285.325	0.971	20	30		CCEDRM
C=CCN(CC(=O)[O-])S(=O)(=O)c1ccc(F)c(C#N)c1	ZINC000092463894	327103440	/nfs/dbraw/zinc/10/34/40/327103440.db2.gz	ZCEKOXSJNJYLRX-UHFFFAOYSA-N	-1	0	298.295	0.959	20	30		CCEDRM
N#Cc1cccc(CS(=O)(=O)NCC2(C(=O)[O-])CC2)c1	ZINC000167000591	327130004	/nfs/dbraw/zinc/13/00/04/327130004.db2.gz	RVWUPFKHTQVZDL-UHFFFAOYSA-N	-1	0	294.332	0.842	20	30		CCEDRM
C=CCOC[C@@H](NC(=O)NCc1nc(C)cs1)C(=O)[O-]	ZINC000555710060	327249473	/nfs/dbraw/zinc/24/94/73/327249473.db2.gz	RVYQRMCIQUSHOZ-SECBINFHSA-N	-1	0	299.352	0.907	20	30		CCEDRM
C=CCNc1ncc(C(=O)N(C)C[C@@H](C)C(=O)[O-])s1	ZINC000583440742	327366282	/nfs/dbraw/zinc/36/62/82/327366282.db2.gz	TWEHUEOINOYIED-MRVPVSSYSA-N	-1	0	283.353	0.956	20	30		CCEDRM
C=CCC[C@H](NS(=O)(=O)N(C)[C@H](C)C1CC1)C(=O)[O-]	ZINC000562321075	327468765	/nfs/dbraw/zinc/46/87/65/327468765.db2.gz	CYZXFXHSIXEOBI-KOLCDFICSA-N	-1	0	290.385	0.971	20	30		CCEDRM
C[C@@H](C#N)CN(C)S(=O)(=O)NC[C@H](C)CCC(=O)[O-]	ZINC000584354304	328734293	/nfs/dbraw/zinc/73/42/93/328734293.db2.gz	IVTVPVOQWHPHRL-ZJUUUORDSA-N	-1	0	291.373	0.413	20	30		CCEDRM
CC(C)(C#N)CCS(=O)(=O)c1n[n-]c(=N)s1	ZINC000393778087	329089492	/nfs/dbraw/zinc/08/94/92/329089492.db2.gz	OPNWPQWMUNFYHT-UHFFFAOYSA-N	-1	0	260.344	0.664	20	30		CCEDRM
CC(C)(C#N)C(=O)N1CCC(c2n[nH]c(=O)[n-]2)CC1	ZINC000583135910	329319305	/nfs/dbraw/zinc/31/93/05/329319305.db2.gz	WTLAGDGQIRIUOE-UHFFFAOYSA-N	-1	0	263.301	0.766	20	30		CCEDRM
C=C(C)COCCNC(=O)C(=O)N(C)CCCC(=O)[O-]	ZINC000420549131	329777849	/nfs/dbraw/zinc/77/78/49/329777849.db2.gz	BJSCPNKEXJBRCC-UHFFFAOYSA-N	-1	0	286.328	0.019	20	30		CCEDRM
C=CC1CCN(C(=O)C(=O)NCCCC(=O)[O-])CC1	ZINC000420587881	329778177	/nfs/dbraw/zinc/77/81/77/329778177.db2.gz	GNCIHTJFFSAZDP-UHFFFAOYSA-N	-1	0	268.313	0.392	20	30		CCEDRM
C[C@@H](C#N)CN(C)S(=O)(=O)NC(C)(C)CC(=O)[O-]	ZINC000571688102	329900967	/nfs/dbraw/zinc/90/09/67/329900967.db2.gz	HTNRUTSXTKFBBX-QMMMGPOBSA-N	-1	0	277.346	0.166	20	30		CCEDRM
CCCN(CC(=O)[O-])S(=O)(=O)CC1(C#N)CC1	ZINC000262354525	330007668	/nfs/dbraw/zinc/00/76/68/330007668.db2.gz	BRSBPSDHMSPLNQ-UHFFFAOYSA-N	-1	0	260.315	0.417	20	30		CCEDRM
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C=CCOC[C@@H](NC(=O)c1cccnc1OCC)C(=O)[O-]	ZINC000263044341	330040538	/nfs/dbraw/zinc/04/05/38/330040538.db2.gz	PMCORJBWOXMRMQ-LLVKDONJSA-N	-1	0	294.307	0.866	20	30		CCEDRM
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CCN(C[C@@H](C)C#N)S(=O)(=O)N(C)[C@@H](C)C(=O)[O-]	ZINC000263539990	330059180	/nfs/dbraw/zinc/05/91/80/330059180.db2.gz	CAUZTFDQKQACDL-IUCAKERBSA-N	-1	0	277.346	0.118	20	30		CCEDRM
C=CCN(C)C(=O)C(=O)N1C[C@H](C(=O)[O-])C[C@H](C)C1	ZINC000422746316	330153173	/nfs/dbraw/zinc/15/31/73/330153173.db2.gz	ZHEWLEMGFXYCGV-VHSXEESVSA-N	-1	0	268.313	0.200	20	30		CCEDRM
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C=C[C@H](CCC(=O)[O-])NS(=O)(=O)c1c[nH]nc1C	ZINC000514917679	330467303	/nfs/dbraw/zinc/46/73/03/330467303.db2.gz	NYPCTKUKQGOZNL-MRVPVSSYSA-N	-1	0	273.314	0.416	20	30		CCEDRM
C=CCC[C@H](CO)NC(=O)N=c1[n-]nc2ccccn21	ZINC000454734731	331152588	/nfs/dbraw/zinc/15/25/88/331152588.db2.gz	AQHISLLDRBYHTR-SNVBAGLBSA-N	-1	0	275.312	0.600	20	30		CCEDRM
C=CCC[C@H](CO)NC(=O)N=c1cc(C)c(C)n[n-]1	ZINC000454805752	331153966	/nfs/dbraw/zinc/15/39/66/331153966.db2.gz	PZAJMSLEIMBGTA-LLVKDONJSA-N	-1	0	264.329	0.964	20	30		CCEDRM
C#CCN(C(=O)c1cc(=O)[nH]c(N(C)C)n1)C1CC1	ZINC000491122632	332152820	/nfs/dbraw/zinc/15/28/20/332152820.db2.gz	WZKJZTPCSSJYTL-UHFFFAOYSA-N	-1	0	260.297	0.486	20	30		CCEDRM
C#C[C@@H]1COCCN1C(=O)NC[C@H](CC(C)C)C(=O)[O-]	ZINC000491526421	332230713	/nfs/dbraw/zinc/23/07/13/332230713.db2.gz	ZENMCMRCBULXHO-NWDGAFQWSA-N	-1	0	282.340	0.777	20	30		CCEDRM
C#CCN(C)C(=O)N=c1nc2cc(Cl)ccn2[n-]1	ZINC000491728907	332311381	/nfs/dbraw/zinc/31/13/81/332311381.db2.gz	MSTVMEJRLZPGTG-UHFFFAOYSA-N	-1	0	263.688	0.902	20	30		CCEDRM
N#CCOc1ccc(C=CC(=O)Nc2nn[nH]n2)cc1	ZINC000491881129	332373309	/nfs/dbraw/zinc/37/33/09/332373309.db2.gz	GHUWSRXHMHPACT-ZZXKWVIFSA-N	-1	0	270.252	0.754	20	30		CCEDRM
CC#CCS(=O)(=O)[N-]C(=O)/C=C\c1cnccc1C	ZINC000493043201	332423999	/nfs/dbraw/zinc/42/39/99/332423999.db2.gz	DOVGHXOHLNPCQI-WAYWQWQTSA-N	-1	0	278.333	0.873	20	30		CCEDRM
C=C[C@H](C)O[N-]C(=O)C1(O)CN(C(=O)OC(C)(C)C)C1	ZINC000496280147	332544698	/nfs/dbraw/zinc/54/46/98/332544698.db2.gz	BFZJNDVJMGBCKW-VIFPVBQESA-N	-1	0	286.328	0.591	20	30		CCEDRM
C=C(C)CS(=O)(=O)N1CC[C@H](C(=O)[O-])[C@H](C)C1	ZINC000576224294	335173279	/nfs/dbraw/zinc/17/32/79/335173279.db2.gz	JCRGPZWLGOYHPG-ZJUUUORDSA-N	-1	0	261.343	0.935	20	30		CCEDRM
N#CC1(CS(=O)(=O)N2CC(C(=O)[O-])C2)CCCCC1	ZINC000548226668	334146695	/nfs/dbraw/zinc/14/66/95/334146695.db2.gz	WOJINJKPNCAPRW-UHFFFAOYSA-N	-1	0	286.353	0.807	20	30		CCEDRM
N#CCCCCS(=O)(=O)NCCSCC(=O)[O-]	ZINC000548564545	334162410	/nfs/dbraw/zinc/16/24/10/334162410.db2.gz	UZKGKAABUBWXEM-UHFFFAOYSA-N	-1	0	280.371	0.417	20	30		CCEDRM
CC[C@](C)(CNS(=O)(=O)N(C)CCC#N)C(=O)[O-]	ZINC000548544066	334162415	/nfs/dbraw/zinc/16/24/15/334162415.db2.gz	RAUXAPUJOQIATH-SNVBAGLBSA-N	-1	0	277.346	0.167	20	30		CCEDRM
C[C@H]1CCN(S(=O)(=O)CCCC#N)[C@H](C(=O)[O-])C1	ZINC000548577308	334162871	/nfs/dbraw/zinc/16/28/71/334162871.db2.gz	WDROHCRKAVWNMX-UWVGGRQHSA-N	-1	0	274.342	0.805	20	30		CCEDRM
C=CCCO[C@H](C)C(=O)NCCCc1n[nH]c(=O)[n-]1	ZINC000080975043	334175819	/nfs/dbraw/zinc/17/58/19/334175819.db2.gz	MERRAXAIMUSTSY-SECBINFHSA-N	-1	0	268.317	0.128	20	30		CCEDRM
C[C@H]([C@@H](NS(=O)(=O)N(C)CCC#N)C(=O)[O-])C1CC1	ZINC000554680022	334446244	/nfs/dbraw/zinc/44/62/44/334446244.db2.gz	IFEZJJVPNMOEDV-WCBMZHEXSA-N	-1	0	289.357	0.166	20	30		CCEDRM
C=C(C)CS(=O)(=O)N[C@H](CC(=O)[O-])C1CCOCC1	ZINC000564659958	334515624	/nfs/dbraw/zinc/51/56/24/334515624.db2.gz	CHURYFYRUAPHMZ-LLVKDONJSA-N	-1	0	291.369	0.752	20	30		CCEDRM
N#C[C@H]1N(C(=O)c2n[nH]c(=O)[n-]2)CCC[C@@]12CCCCO2	ZINC000565427174	334562852	/nfs/dbraw/zinc/56/28/52/334562852.db2.gz	ILOLRLDOJMRRCC-RNCFNFMXSA-N	-1	0	291.311	0.578	20	30		CCEDRM
C=CCN=c1[n-]nc(SC[C@@H]2CNC(=O)C2)s1	ZINC000565963061	334612677	/nfs/dbraw/zinc/61/26/77/334612677.db2.gz	OBSSPUHYJDNMNX-ZETCQYMHSA-N	-1	0	270.383	0.786	20	30		CCEDRM
C=CCC[C@H](NC(=O)NC[C@@H]1CCCO1)C(=O)[O-]	ZINC000316010292	334816126	/nfs/dbraw/zinc/81/61/26/334816126.db2.gz	IGGNIJHKCVTDME-UWVGGRQHSA-N	-1	0	256.302	0.884	20	30		CCEDRM
CC(C)(C)n1cnc(=NC(=O)NCC2(C#N)CC2)[n-]1	ZINC000568711689	334837213	/nfs/dbraw/zinc/83/72/13/334837213.db2.gz	QGVLXAZHBVIZNF-UHFFFAOYSA-N	-1	0	262.317	0.880	20	30		CCEDRM
C=C(C)COCCNC(=O)N[C@H](C(=O)[O-])c1ccn(C)n1	ZINC000576454245	335205033	/nfs/dbraw/zinc/20/50/33/335205033.db2.gz	CJEAIABFUSTKSR-NSHDSACASA-N	-1	0	296.327	0.438	20	30		CCEDRM
C=C[C@@H]1OCC[C@H]1C(=O)N=c1nc2ccccn2[n-]1	ZINC000576548095	335217679	/nfs/dbraw/zinc/21/76/79/335217679.db2.gz	PFHOJEVIKPOWRJ-ZJUUUORDSA-N	-1	0	258.281	0.681	20	30		CCEDRM
C=CCC[C@@H](NS(=O)(=O)[C@@H](C)CCOC)C(=O)[O-]	ZINC000576642453	335229800	/nfs/dbraw/zinc/22/98/00/335229800.db2.gz	FWCZEOOIHWINQW-VHSXEESVSA-N	-1	0	279.358	0.750	20	30		CCEDRM
O=C(NCC#Cc1cccc(F)c1)c1n[nH]c(=O)[n-]1	ZINC000576845148	335255177	/nfs/dbraw/zinc/25/51/77/335255177.db2.gz	SFMIISCFQASOBP-UHFFFAOYSA-N	-1	0	260.228	0.431	20	30		CCEDRM
CC#CCN(C)C(=O)C(=O)N1CC[C@H](C)[C@@H](C(=O)[O-])C1	ZINC000577610386	335377868	/nfs/dbraw/zinc/37/78/68/335377868.db2.gz	GQLWTOBQZKNPHC-QWRGUYRKSA-N	-1	0	280.324	0.037	20	30		CCEDRM
Cc1nc([N-]S(=O)(=O)c2ccc(C#N)cc2F)nn1C	ZINC000578479452	335639038	/nfs/dbraw/zinc/63/90/38/335639038.db2.gz	PKXPXCAVTDYXGX-UHFFFAOYSA-N	-1	0	295.299	0.935	20	30		CCEDRM
CC(=O)N1CC[C@H](C(=O)N=c2[nH][n-]c(C3CC3)c2C#N)C1	ZINC000580793414	335967944	/nfs/dbraw/zinc/96/79/44/335967944.db2.gz	GGVUTNJIXCFPQF-JTQLQIEISA-N	-1	0	287.323	0.388	20	30		CCEDRM
Cc1c(S(=O)(=O)[N-]c2cc(C#N)ccn2)cnn1C	ZINC000427757246	533936836	/nfs/dbraw/zinc/93/68/36/533936836.db2.gz	YGEVWLNJJXZKEX-UHFFFAOYSA-N	-1	0	277.309	0.796	20	30		CCEDRM
Cc1ccc(C(=O)[N-]S(C)(=O)=O)cc1S(C)(=O)=O	ZINC000048487259	525947864	/nfs/dbraw/zinc/94/78/64/525947864.db2.gz	BNGUFTWMQSXNFJ-UHFFFAOYSA-N	-1	0	291.350	0.663	20	30		CCEDRM
C=CC[C@@H](CO)NC(=O)N=c1nc([C@@H](C)OC)[n-]s1	ZINC000350636260	527088204	/nfs/dbraw/zinc/08/82/04/527088204.db2.gz	GHABFVUVMDAVIP-SFYZADRCSA-N	-1	0	286.357	0.726	20	30		CCEDRM
C=CCCC1(C(=O)NCCc2n[n-]c(=N)o2)CC1	ZINC000355033532	527089372	/nfs/dbraw/zinc/08/93/72/527089372.db2.gz	QSXKWAZRSNGQHK-UHFFFAOYSA-N	-1	0	250.302	0.887	20	30		CCEDRM
C=CCOC[C@@H](NC(=O)[C@@H](OC)C1CCC1)C(=O)[O-]	ZINC000668290395	545171390	/nfs/dbraw/zinc/17/13/90/545171390.db2.gz	PWOJONKMFSZEJD-MNOVXSKESA-N	-1	0	271.313	0.574	20	30		CCEDRM
CCN(C)S(=O)(=O)[N-]C(=O)/C=C/c1cccc(C#N)c1	ZINC000491911350	527852691	/nfs/dbraw/zinc/85/26/91/527852691.db2.gz	RODCXXQIOJUSMO-BQYQJAHWSA-N	-1	0	293.348	0.884	20	30		CCEDRM
CC(C)Oc1ccc(=NC(=O)NC2(CO)CCC2)[n-]n1	ZINC000329067098	528131018	/nfs/dbraw/zinc/13/10/18/528131018.db2.gz	WWCRMGDPTUSYAO-UHFFFAOYSA-N	-1	0	280.328	0.927	20	30		CCEDRM
CN(CCC(=O)[O-])S(=O)(=O)c1cncc(C#N)c1	ZINC000261559951	536312736	/nfs/dbraw/zinc/31/27/36/536312736.db2.gz	DWSBMOMILSAIJW-UHFFFAOYSA-N	-1	0	269.282	0.048	20	30		CCEDRM
C=CC[C@@H](NS(=O)(=O)N(C)CC(C)C)C(=O)[O-]	ZINC000681557498	545456122	/nfs/dbraw/zinc/45/61/22/545456122.db2.gz	BJRKFBXEVXUHCD-SECBINFHSA-N	-1	0	264.347	0.438	20	30		CCEDRM
C=CC[C@@H](NS(=O)(=O)N(C)[C@H](C)C1CC1)C(=O)[O-]	ZINC000681558465	545456248	/nfs/dbraw/zinc/45/62/48/545456248.db2.gz	RJWJPJSTRKCKQL-PSASIEDQSA-N	-1	0	276.358	0.580	20	30		CCEDRM
N#Cc1ccc([O-])c(NC(=O)C(=O)NCC2CC2)c1	ZINC000788522085	581114976	/nfs/dbraw/zinc/11/49/76/581114976.db2.gz	VNTLORZKUCNWFM-UHFFFAOYSA-N	-1	0	259.265	0.729	20	30		CCEDRM
CC#CCS(=O)(=O)[N-]C(=O)Cc1cccs1	ZINC000791105951	581207464	/nfs/dbraw/zinc/20/74/64/581207464.db2.gz	GANAZCNCLSKFRM-UHFFFAOYSA-N	-1	0	257.336	0.760	20	30		CCEDRM
CC[C@@H](C)[C@@H](NC(=O)[O-])C(=O)NC1CCN(CC#N)CC1	ZINC000739225753	581208350	/nfs/dbraw/zinc/20/83/50/581208350.db2.gz	FOOXQMPNHLZUCQ-ZYHUDNBSSA-N	-1	0	296.371	0.773	20	30		CCEDRM
C=CCN(CC(=O)[O-])C(=O)Nc1cc(C)nn1C	ZINC000788321017	581106008	/nfs/dbraw/zinc/10/60/08/581106008.db2.gz	QGOLQJHMERBGMC-UHFFFAOYSA-N	-1	0	252.274	0.833	20	30		CCEDRM
C[C@H]1CN=C(NN=Cc2cc([N+](=O)[O-])ccc2[O-])N1	ZINC000779803058	581114164	/nfs/dbraw/zinc/11/41/64/581114164.db2.gz	MVUNLATVKLRKMF-ZETCQYMHSA-N	-1	0	263.257	0.572	20	30		CCEDRM
CCN(CC(=O)[C@H](C#N)C(=O)Nc1ccccn1)C(=O)[O-]	ZINC000739386352	581125788	/nfs/dbraw/zinc/12/57/88/581125788.db2.gz	ZWGZEBQBAVYWKA-VIFPVBQESA-N	-1	0	290.279	0.729	20	30		CCEDRM
COCCO[N-]C(=O)C(=O)Nc1cccc(OCC#N)c1	ZINC000789825085	581157611	/nfs/dbraw/zinc/15/76/11/581157611.db2.gz	LUXKQYHRVCHHSG-UHFFFAOYSA-N	-1	0	293.279	0.222	20	30		CCEDRM
CC(C)OCC(=O)[N-]S(=O)(=O)CC1(C#N)CCCC1	ZINC000779318619	581180478	/nfs/dbraw/zinc/18/04/78/581180478.db2.gz	QXGUQJIBNKEBNR-UHFFFAOYSA-N	-1	0	288.369	0.941	20	30		CCEDRM
C#CCCS(=O)(=O)[N-]C(=O)[C@@H](C)OC[C@H]1CCCO1	ZINC000791110428	581207743	/nfs/dbraw/zinc/20/77/43/581207743.db2.gz	DIMOQCGHGHLLPR-GHMZBOCLSA-N	-1	0	289.353	0.040	20	30		CCEDRM
CC[C@H](NN=Cc1ccc(C(=O)N(C)C)[nH]1)C(=O)[O-]	ZINC000793057145	581282713	/nfs/dbraw/zinc/28/27/13/581282713.db2.gz	LNDQPMUFSUCWDB-VIFPVBQESA-N	-1	0	266.301	0.503	20	30		CCEDRM
C=CCS(=O)(=O)[N-]C(=O)c1cnc(OC)c(Cl)c1	ZINC000793177687	581287225	/nfs/dbraw/zinc/28/72/25/581287225.db2.gz	JONANOZSQLQGRI-UHFFFAOYSA-N	-1	0	290.728	0.989	20	30		CCEDRM
Cc1cc(C(=O)[N-]S(=O)(=O)CCCC#N)ccn1	ZINC000793192218	581287488	/nfs/dbraw/zinc/28/74/88/581287488.db2.gz	UUVXVSBZKNUPFM-UHFFFAOYSA-N	-1	0	267.310	0.753	20	30		CCEDRM
N#CC1(CS(=O)(=O)[N-]C(=O)CCc2ccco2)CC1	ZINC000793196119	581287817	/nfs/dbraw/zinc/28/78/17/581287817.db2.gz	SEDQQXXSMXQCFA-UHFFFAOYSA-N	-1	0	282.321	0.962	20	30		CCEDRM
C=CCOc1cccnc1C(=O)[N-]N1CN=NC1=O	ZINC000782126834	581288990	/nfs/dbraw/zinc/28/89/90/581288990.db2.gz	FRUNADAPDVAAPQ-UHFFFAOYSA-N	-1	0	261.241	0.327	20	30		CCEDRM
N#C[C@@H]1CN(C(=O)[C@@H]2CCCN2C(=O)[O-])CCN1C1CC1	ZINC000740306158	581322530	/nfs/dbraw/zinc/32/25/30/581322530.db2.gz	DMFYEUCSAICEPE-NEPJUHHUSA-N	-1	0	292.339	0.328	20	30		CCEDRM
N#C[C@H]1CN(C(=O)NC[C@H]2CCCN2C(=O)[O-])CCO1	ZINC000740306719	581323214	/nfs/dbraw/zinc/32/32/14/581323214.db2.gz	KGHTZPSUPYDAPP-ZJUUUORDSA-N	-1	0	282.300	0.063	20	30		CCEDRM
C#CCSCCNC(=O)N[C@@H](CNC(=O)[O-])C1CC1	ZINC000738469855	581343106	/nfs/dbraw/zinc/34/31/06/581343106.db2.gz	INPDTTDYKYEJJI-JTQLQIEISA-N	-1	0	285.369	0.698	20	30		CCEDRM
COC(=O)c1cccc(C(=O)N(CC#N)CC(=O)[O-])c1	ZINC000737707636	581357391	/nfs/dbraw/zinc/35/73/91/581357391.db2.gz	IPPJEIASLQRJFG-UHFFFAOYSA-N	-1	0	276.248	0.524	20	30		CCEDRM
C[C@H]1C(=O)CC[C@H]1CC(=O)[N-]S(=O)(=O)CCCC#N	ZINC000796812988	581363210	/nfs/dbraw/zinc/36/32/10/581363210.db2.gz	RELUBEWOMFLZIJ-ZJUUUORDSA-N	-1	0	286.353	0.741	20	30		CCEDRM
CO[C@@H](C(=O)[N-]S(=O)(=O)c1ccc(C#N)cc1)C1CC1	ZINC000796612966	581446216	/nfs/dbraw/zinc/44/62/16/581446216.db2.gz	LLJREJPFXMXKPL-GFCCVEGCSA-N	-1	0	294.332	0.788	20	30		CCEDRM
CO[C@@H](C(=O)[N-]S(=O)(=O)CC(C)(C)C#N)C1CC1	ZINC000796813616	581451183	/nfs/dbraw/zinc/45/11/83/581451183.db2.gz	XSNFLVZOSDOBIJ-SECBINFHSA-N	-1	0	274.342	0.407	20	30		CCEDRM
C=CCC1(C(=O)[N-]S(=O)(=O)[C@H](C)C(=O)OC)CCC1	ZINC000797293728	581463960	/nfs/dbraw/zinc/46/39/60/581463960.db2.gz	OMGRAYIRJZHBPT-SECBINFHSA-N	-1	0	289.353	0.740	20	30		CCEDRM
O=C([O-])Cn1cc(C=Nn2cc(Br)cn2)nn1	ZINC000752746359	581514824	/nfs/dbraw/zinc/51/48/24/581514824.db2.gz	JESAIVHJXKKLRX-UHFFFAOYSA-N	-1	0	299.088	0.204	20	30		CCEDRM
CCC[C@@H](C#N)NC(=O)CN(CCOC)C(=O)[O-]	ZINC000739285831	581531674	/nfs/dbraw/zinc/53/16/74/581531674.db2.gz	VZOGSNQGEIBHDP-VIFPVBQESA-N	-1	0	257.290	0.421	20	30		CCEDRM
CCN(CCC#N)C(=O)CN1C[C@@H](C)N(C(=O)[O-])[C@@H](C)C1	ZINC000739416083	581549553	/nfs/dbraw/zinc/54/95/53/581549553.db2.gz	XGLCDCQZIFNPJJ-TXEJJXNPSA-N	-1	0	296.371	0.821	20	30		CCEDRM
Cn1nnc2cc(C([O-])=C(C#N)C(=O)NC3CC3)ccc21	ZINC000729188181	581557680	/nfs/dbraw/zinc/55/76/80/581557680.db2.gz	KXHQWAPTMJUHEZ-SNVBAGLBSA-N	-1	0	283.291	0.569	20	30		CCEDRM
COc1ccc(C=NNCCCO)c(OCC(=O)[O-])c1	ZINC000734364692	581557879	/nfs/dbraw/zinc/55/78/79/581557879.db2.gz	BNDWQPIRDDPKBA-UHFFFAOYSA-N	-1	0	282.296	0.465	20	30		CCEDRM
COCCNC(=O)C(C#N)=C([O-])c1ccnn1C(C)C	ZINC000766257061	581559661	/nfs/dbraw/zinc/55/96/61/581559661.db2.gz	ILKGAWOFVBTRMB-SNVBAGLBSA-N	-1	0	278.312	0.549	20	30		CCEDRM
COc1ncccc1C(=O)[N-]S(=O)(=O)CC1(C#N)CC1	ZINC000753945308	581566118	/nfs/dbraw/zinc/56/61/18/581566118.db2.gz	NDAKGIRJSNUSSK-UHFFFAOYSA-N	-1	0	295.320	0.454	20	30		CCEDRM
CN(C(=O)COCCNC(=O)[O-])C1(C#N)CCC1	ZINC000739575996	581574078	/nfs/dbraw/zinc/57/40/78/581574078.db2.gz	MQVMTQAAPWFVQR-UHFFFAOYSA-N	-1	0	255.274	0.175	20	30		CCEDRM
CN(CC#N)C(=O)[C@@H](Cc1ccccc1)NC(=O)[O-]	ZINC000739617488	581582108	/nfs/dbraw/zinc/58/21/08/581582108.db2.gz	QXGUZASHOUEXQR-LLVKDONJSA-N	-1	0	261.281	0.847	20	30		CCEDRM
CC(C)NC(=O)C(C#N)=C([O-])c1ccc(C#N)nc1	ZINC000734706812	581582564	/nfs/dbraw/zinc/58/25/64/581582564.db2.gz	YNVMZYXZYAMQPD-NSHDSACASA-N	-1	0	256.265	0.800	20	30		CCEDRM
CNC(=O)C(C#N)=C([O-])c1ccc(OC)c(Cl)n1	ZINC000766841381	581582963	/nfs/dbraw/zinc/58/29/63/581582963.db2.gz	KWPKKXVPKZTCLE-LURJTMIESA-N	-1	0	267.672	0.812	20	30		CCEDRM
C=CCCO[C@H](C)C(=O)[N-]S(=O)(=O)CCCCOC	ZINC000766966673	581590376	/nfs/dbraw/zinc/59/03/76/581590376.db2.gz	ISDCXOWROIQQPA-LLVKDONJSA-N	-1	0	293.385	0.840	20	30		CCEDRM
C=CCOCC(=O)[N-]S(=O)(=O)Cc1ccccc1	ZINC000729887577	581618549	/nfs/dbraw/zinc/61/85/49/581618549.db2.gz	ZJLUSSAIQZATFQ-UHFFFAOYSA-N	-1	0	269.322	0.835	20	30		CCEDRM
C=CCOCC(=O)[N-]S(=O)(=O)Cc1ccc(F)cc1	ZINC000729886298	581618682	/nfs/dbraw/zinc/61/86/82/581618682.db2.gz	FKOJYRFFFTXAAJ-UHFFFAOYSA-N	-1	0	287.312	0.974	20	30		CCEDRM
CC(C)N(C)S(=O)(=O)[N-]C(=O)c1cccc(C#N)c1	ZINC000729914745	581619912	/nfs/dbraw/zinc/61/99/12/581619912.db2.gz	LMDOJWXOAOFPGN-UHFFFAOYSA-N	-1	0	281.337	0.873	20	30		CCEDRM
CC#CCS(=O)(=O)[N-]C(=O)[C@@H]1CCO[C@@H](C)C1	ZINC000788072442	581657503	/nfs/dbraw/zinc/65/75/03/581657503.db2.gz	VMIIBDMALKCTKN-VHSXEESVSA-N	-1	0	259.327	0.271	20	30		CCEDRM
N#C[C@@H](C(=O)COCCNC(=O)[O-])C(=O)NC1CCCC1	ZINC000740303549	581661612	/nfs/dbraw/zinc/66/16/12/581661612.db2.gz	KRRHSGRFCWNGKP-JTQLQIEISA-N	-1	0	297.311	0.038	20	30		CCEDRM
C#CCOCCC(=O)OCC(=O)[N-]OCc1ccccc1	ZINC000756303281	581662722	/nfs/dbraw/zinc/66/27/22/581662722.db2.gz	UNLFROCDDGKTEM-UHFFFAOYSA-N	-1	0	291.303	0.818	20	30		CCEDRM
N#CC1(C(=O)NCCN(C(=O)[O-])C2CC2)CCOCC1	ZINC000740308868	581663448	/nfs/dbraw/zinc/66/34/48/581663448.db2.gz	CURYHPUAAFTDEY-UHFFFAOYSA-N	-1	0	281.312	0.565	20	30		CCEDRM
N#Cc1cc(S(=O)(=O)NC2CN(C(=O)[O-])C2)ccc1F	ZINC000740312686	581664686	/nfs/dbraw/zinc/66/46/86/581664686.db2.gz	DUFXOONFCJUFHH-UHFFFAOYSA-N	-1	0	299.283	0.338	20	30		CCEDRM
COCCNC(=O)C(C#N)=C([O-])c1cc(OC)ccn1	ZINC000735910971	581670437	/nfs/dbraw/zinc/67/04/37/581670437.db2.gz	HMIVGZHKQAWGSF-JTQLQIEISA-N	-1	0	277.280	0.175	20	30		CCEDRM
C=C(C)[C@H](CC(=O)[N-]S(=O)(=O)CCOCC)OCC	ZINC000756549979	581670485	/nfs/dbraw/zinc/67/04/85/581670485.db2.gz	GKGMTGWQVBBIMY-NSHDSACASA-N	-1	0	293.385	0.840	20	30		CCEDRM
C=C(C)[C@@H](CC(=O)[N-]S(=O)(=O)CCOCC)OCC	ZINC000756549975	581670534	/nfs/dbraw/zinc/67/05/34/581670534.db2.gz	GKGMTGWQVBBIMY-LLVKDONJSA-N	-1	0	293.385	0.840	20	30		CCEDRM
C#CCNC(=O)CN(C)[C@H](C(=O)[O-])c1ccccc1	ZINC000736078568	581685911	/nfs/dbraw/zinc/68/59/11/581685911.db2.gz	BUJIVUCWAYDPKM-ZDUSSCGKSA-N	-1	0	260.293	0.494	20	30		CCEDRM
C#CCCN1CCN(C(=O)CCSCC(=O)[O-])CC1	ZINC000736077161	581694592	/nfs/dbraw/zinc/69/45/92/581694592.db2.gz	NMYQZYVNRJPNKD-UHFFFAOYSA-N	-1	0	284.381	0.362	20	30		CCEDRM
C#CCNC(=O)COC(=O)CCc1ccc(C(=O)[O-])cc1	ZINC000736076417	581694800	/nfs/dbraw/zinc/69/48/00/581694800.db2.gz	OGXIQLNCVNDJCB-UHFFFAOYSA-N	-1	0	289.287	0.610	20	30		CCEDRM
C#CCSCCNC(=O)[C@H](NC(=O)[O-])C(C)C	ZINC000736087947	581700491	/nfs/dbraw/zinc/70/04/91/581700491.db2.gz	OCMQIDBVKVVCLO-SECBINFHSA-N	-1	0	258.343	0.761	20	30		CCEDRM
C=C(C)CN(CC)C(=O)[C@H](C)N1CCO[C@H](C(=O)[O-])C1	ZINC000736095101	581702089	/nfs/dbraw/zinc/70/20/89/581702089.db2.gz	IWAMYVDOHUVGEQ-RYUDHWBXSA-N	-1	0	284.356	0.585	20	30		CCEDRM
O=C([O-])NC[C@@H]1CCCC1=NN[C@@H]1CCS(=O)(=O)C1	ZINC000740621737	581702454	/nfs/dbraw/zinc/70/24/54/581702454.db2.gz	YUDWUXOZXYZGJP-DTWKUNHWSA-N	-1	0	289.357	0.187	20	30		CCEDRM
C=CCn1c(C)nnc1SC[C@H](O)CC(=O)[O-]	ZINC000736118198	581703377	/nfs/dbraw/zinc/70/33/77/581703377.db2.gz	RSLQLKISXGALEH-MRVPVSSYSA-N	-1	0	257.315	0.700	20	30		CCEDRM
C[C@](C#N)(NC(=O)COC(=O)[C@H]1C[C@H]1C(=O)[O-])C1CC1	ZINC000736201072	581714051	/nfs/dbraw/zinc/71/40/51/581714051.db2.gz	FZWKJVSVBFTYRW-VYUIOLGVSA-N	-1	0	280.280	0.059	20	30		CCEDRM
N#CCCCCOC(=O)Cn1[n-]cc2c(=O)ncnc1-2	ZINC000730657168	581725297	/nfs/dbraw/zinc/72/52/97/581725297.db2.gz	KENAGCKNYBNRAP-UHFFFAOYSA-N	-1	0	275.268	0.308	20	30		CCEDRM
CC(C)[C@H](NC(=O)[O-])C(=O)OCCn1ncc(C#N)c1N	ZINC000736379712	581755718	/nfs/dbraw/zinc/75/57/18/581755718.db2.gz	MGZWAIRXCWGYHU-VIFPVBQESA-N	-1	0	295.299	0.172	20	30		CCEDRM
C=CCS(=O)(=O)[N-]C(=O)c1cccc([S@@](C)=O)c1	ZINC000770897461	581775708	/nfs/dbraw/zinc/77/57/08/581775708.db2.gz	MHYKNQQDRDOTIS-QGZVFWFLSA-N	-1	0	287.362	0.670	20	30		CCEDRM
C[C@H](c1nc(C2CC2)no1)n1ccc(C=NO)nc1=O	ZINC000742359392	581780034	/nfs/dbraw/zinc/78/00/34/581780034.db2.gz	XCMVLGPOXJQIHQ-SSDOTTSWSA-N	-1	0	275.268	0.921	20	30		CCEDRM
N#CCNC(=O)COC(=O)c1cc(F)c([O-])c(F)c1	ZINC000759545328	581805624	/nfs/dbraw/zinc/80/56/24/581805624.db2.gz	IYBUGUSSNQOBHU-UHFFFAOYSA-N	-1	0	270.191	0.467	20	30		CCEDRM
COC[C@@](C)(C#N)NC(=O)c1n[n-]c2ccccc2c1=O	ZINC000771578895	581810381	/nfs/dbraw/zinc/81/03/81/581810381.db2.gz	PPIWDIFYTVNQHY-CQSZACIVSA-N	-1	0	286.291	0.994	20	30		CCEDRM
C=CCOc1ccccc1CNC(=O)c1cc(=O)[nH][n-]1	ZINC000732301445	581815089	/nfs/dbraw/zinc/81/50/89/581815089.db2.gz	DSAIRVARIZMZEM-UHFFFAOYSA-N	-1	0	273.292	0.744	20	30		CCEDRM
C[C@@H](Oc1cccnc1)C(=O)N(CC#N)CC(=O)[O-]	ZINC000736709960	581822470	/nfs/dbraw/zinc/82/24/70/581822470.db2.gz	YHPLGSGEMQHTLC-SECBINFHSA-N	-1	0	263.253	0.286	20	30		CCEDRM
C[C@H](NC(=O)c1cc(=O)[nH][n-]1)c1cccc(C#N)c1	ZINC000743813149	581826420	/nfs/dbraw/zinc/82/64/20/581826420.db2.gz	MJVKLMXXHWBIKI-QMMMGPOBSA-N	-1	0	256.265	0.611	20	30		CCEDRM
COCCOc1cccc(C(=O)N(CC#N)CC(=O)[O-])c1	ZINC000737822662	581830351	/nfs/dbraw/zinc/83/03/51/581830351.db2.gz	YIXRVUGHGKYDLU-UHFFFAOYSA-N	-1	0	292.291	0.762	20	30		CCEDRM
CNC(=O)c1cccc(C([O-])=C(C#N)C(=O)N2CCCC2)c1	ZINC000744024408	581830462	/nfs/dbraw/zinc/83/04/62/581830462.db2.gz	VNTLXQKJUXQTQN-CYBMUJFWSA-N	-1	0	299.330	0.991	20	30		CCEDRM
C=CCOCCCC(=O)[N-]S(=O)(=O)CC1CC1	ZINC000744135204	581832505	/nfs/dbraw/zinc/83/25/05/581832505.db2.gz	ZNUKKTGOGOGPTD-UHFFFAOYSA-N	-1	0	261.343	0.825	20	30		CCEDRM
CCN(C)S(=O)(=O)[N-]C(=O)Cc1ccc(C#N)cc1	ZINC000744242434	581835338	/nfs/dbraw/zinc/83/53/38/581835338.db2.gz	CEKTVBVKGXKCFI-UHFFFAOYSA-N	-1	0	281.337	0.413	20	30		CCEDRM
CCS(=O)(=O)[N-]C(=O)c1cccc(CC#N)c1	ZINC000732604594	581835599	/nfs/dbraw/zinc/83/55/99/581835599.db2.gz	FOXKYXXKOYSHRJ-UHFFFAOYSA-N	-1	0	252.295	0.832	20	30		CCEDRM
C=CCOCC(=O)[N-]S(=O)(=O)c1ccc(Cl)cn1	ZINC000732611101	581837515	/nfs/dbraw/zinc/83/75/15/581837515.db2.gz	XYSUUCJOXWOLBN-UHFFFAOYSA-N	-1	0	290.728	0.743	20	30		CCEDRM
C=CCS(=O)(=O)[N-]C(=O)[C@H](C)OCCOCC	ZINC000772713536	581885456	/nfs/dbraw/zinc/88/54/56/581885456.db2.gz	KPZJSKMIUHOAJO-VIFPVBQESA-N	-1	0	265.331	0.060	20	30		CCEDRM
C=CCS(=O)(=O)[N-]C(=O)c1ccc2[nH]c(=O)oc2c1	ZINC000772717158	581886180	/nfs/dbraw/zinc/88/61/80/581886180.db2.gz	DTIBFCBAJAJAOK-UHFFFAOYSA-N	-1	0	282.277	0.779	20	30		CCEDRM
C=CCS(=O)(=O)[N-]C(=O)c1cnn(C)c1C(F)(F)F	ZINC000772720223	581886236	/nfs/dbraw/zinc/88/62/36/581886236.db2.gz	FELQXIBGIHYCGU-UHFFFAOYSA-N	-1	0	297.258	0.685	20	30		CCEDRM
C=CCS(=O)(=O)[N-]C(=O)C[C@H]1CSCCS1	ZINC000772721023	581886746	/nfs/dbraw/zinc/88/67/46/581886746.db2.gz	AZOHPNKRAMGGJN-QMMMGPOBSA-N	-1	0	281.424	0.857	20	30		CCEDRM
CCN(CCC#N)C(=O)COC(=O)[C@H]1C[C@H]1C(=O)[O-]	ZINC000737094546	581902979	/nfs/dbraw/zinc/90/29/79/581902979.db2.gz	SNRYVDARNUUDHC-BDAKNGLRSA-N	-1	0	268.269	0.012	20	30		CCEDRM
CCOCCO[N-]C(=O)C(=O)Nc1cccc(C#N)c1	ZINC000773633031	581936781	/nfs/dbraw/zinc/93/67/81/581936781.db2.gz	JPFUZHWNESMHOK-UHFFFAOYSA-N	-1	0	277.280	0.581	20	30		CCEDRM
CCc1nnsc1C(=O)N(CC#N)CC(=O)[O-]	ZINC000737286987	581941609	/nfs/dbraw/zinc/94/16/09/581941609.db2.gz	CIOVBXGXOHCEKL-UHFFFAOYSA-N	-1	0	254.271	0.151	20	30		CCEDRM
C#CCCCCC(=O)[N-]S(=O)(=O)CCOCCOC	ZINC000773798860	581942398	/nfs/dbraw/zinc/94/23/98/581942398.db2.gz	DHDGGWVFTNWYJW-UHFFFAOYSA-N	-1	0	291.369	0.289	20	30		CCEDRM
CN(C(=O)COC(=O)CCCNC(=O)[O-])C(C)(C)C#N	ZINC000737321235	581944524	/nfs/dbraw/zinc/94/45/24/581944524.db2.gz	CPIAQDYSKLCQCP-UHFFFAOYSA-N	-1	0	285.300	0.338	20	30		CCEDRM
CN(CCCC(=O)N[C@@]1(C#N)CCSC1)C(=O)[O-]	ZINC000737424594	581956294	/nfs/dbraw/zinc/95/62/94/581956294.db2.gz	ZRMKSSXAIMDMPB-LLVKDONJSA-N	-1	0	271.342	0.892	20	30		CCEDRM
CN(CCCC(=O)Nc1cnn(CC#N)c1)C(=O)[O-]	ZINC000737430802	581956903	/nfs/dbraw/zinc/95/69/03/581956903.db2.gz	JMTAMPGXZLFLRR-UHFFFAOYSA-N	-1	0	265.273	0.735	20	30		CCEDRM
C[C@@H]1COCC[C@@H]1C(=O)C(C#N)=C([O-])c1nccn1C	ZINC000774143703	581961580	/nfs/dbraw/zinc/96/15/80/581961580.db2.gz	VAMIUWFAWQPQOO-OUAUKWLOSA-N	-1	0	275.308	0.984	20	30		CCEDRM
CCn1nccc1C([O-])=C(C#N)C(=O)c1nccn1C	ZINC000774206787	581965130	/nfs/dbraw/zinc/96/51/30/581965130.db2.gz	PCQOCUQIFGKOBV-VIFPVBQESA-N	-1	0	271.280	0.842	20	30		CCEDRM
C=CCS(=O)(=O)[N-]C(=O)C1(OC)CCCCC1	ZINC000774251572	581966677	/nfs/dbraw/zinc/96/66/77/581966677.db2.gz	SEBZZAGVJUQYCB-UHFFFAOYSA-N	-1	0	261.343	0.968	20	30		CCEDRM
COC(=O)CN(CC#N)C(=O)c1cccc(C(=O)[O-])c1	ZINC000737602896	581989041	/nfs/dbraw/zinc/98/90/41/581989041.db2.gz	AAMNJQMMFHPTCJ-UHFFFAOYSA-N	-1	0	276.248	0.524	20	30		CCEDRM
COCCCNC(=O)C(C#N)=C([O-])c1ccn(C)c1	ZINC000763469680	581999788	/nfs/dbraw/zinc/99/97/88/581999788.db2.gz	QKNIERUSAPZEKE-NSHDSACASA-N	-1	0	263.297	0.500	20	30		CCEDRM
CNC(=O)C(C#N)=C([O-])c1cccc(C2OCCO2)c1	ZINC000775228118	582015152	/nfs/dbraw/zinc/01/51/52/582015152.db2.gz	SQOKPCJQIOYWEN-NSHDSACASA-N	-1	0	274.276	0.800	20	30		CCEDRM
Cc1nn(C)c(C)c1S(=O)(=O)[N-]c1cnn(CC#N)c1	ZINC000775276530	582017252	/nfs/dbraw/zinc/01/72/52/582017252.db2.gz	WVKDDHVFNDVSFB-UHFFFAOYSA-N	-1	0	294.340	0.558	20	30		CCEDRM
CO[C@@H](C)CS(=O)(=O)[N-]C(=O)c1ccc(C#N)cc1	ZINC000764206083	582036800	/nfs/dbraw/zinc/03/68/00/582036800.db2.gz	DJCIAKPGLQWEHJ-VIFPVBQESA-N	-1	0	282.321	0.653	20	30		CCEDRM
CCC1(C(=O)[N-]S(=O)(=O)CCCC#N)COC1	ZINC000776116301	582052147	/nfs/dbraw/zinc/05/21/47/582052147.db2.gz	OFQBABXIGKTLEV-UHFFFAOYSA-N	-1	0	260.315	0.163	20	30		CCEDRM
C=CCCO[C@H](C)C(=O)[N-]S(=O)(=O)CC(C)(C)C#N	ZINC000776140824	582053995	/nfs/dbraw/zinc/05/39/95/582053995.db2.gz	MSBBLNFWGODHLD-SNVBAGLBSA-N	-1	0	288.369	0.963	20	30		CCEDRM
Cn1cccc1C(=O)[N-]S(=O)(=O)CC(C)(C)C#N	ZINC000776141005	582054083	/nfs/dbraw/zinc/05/40/83/582054083.db2.gz	UHURSKVUVGAYOO-UHFFFAOYSA-N	-1	0	269.326	0.634	20	30		CCEDRM
C#Cc1ccc(C(=O)NCCCN(C)C(=O)[O-])cn1	ZINC000738468425	582054362	/nfs/dbraw/zinc/05/43/62/582054362.db2.gz	VLADQIFAAOKNFZ-UHFFFAOYSA-N	-1	0	261.281	0.793	20	30		CCEDRM
CCc1c(C(=O)[N-]S(=O)(=O)CC(C)(C)C#N)cnn1C	ZINC000776145556	582054538	/nfs/dbraw/zinc/05/45/38/582054538.db2.gz	CSINZUYQDKZFBG-UHFFFAOYSA-N	-1	0	298.368	0.592	20	30		CCEDRM
C=CCNC(=O)N(C)CCN1CCN(C(=O)[O-])CC1	ZINC000738495339	582056119	/nfs/dbraw/zinc/05/61/19/582056119.db2.gz	LCSCHKVSPZWBNI-UHFFFAOYSA-N	-1	0	270.333	0.109	20	30		CCEDRM
Cc1ccc(C(=O)N(CC#N)CC(=O)[O-])cc1[N+](=O)[O-]	ZINC000738504992	582057276	/nfs/dbraw/zinc/05/72/76/582057276.db2.gz	RGSTYFWRSCYUDM-UHFFFAOYSA-N	-1	0	277.236	0.954	20	30		CCEDRM
N#CC(C(=O)NC1CCCC1)=C([O-])c1ncccn1	ZINC000750802103	582059416	/nfs/dbraw/zinc/05/94/16/582059416.db2.gz	ORAYVZHWGQWUEG-JTQLQIEISA-N	-1	0	258.281	0.858	20	30		CCEDRM
C[C@H](Oc1cccc(C=NNS(C)(=O)=O)c1)C(=O)[O-]	ZINC000764708123	582063686	/nfs/dbraw/zinc/06/36/86/582063686.db2.gz	PQYNJKJDCWJMFN-QMMMGPOBSA-N	-1	0	286.309	0.422	20	30		CCEDRM
C[C@](C#N)(NC(=O)CN1CC[C@H](NC(=O)[O-])C1)C1CC1	ZINC000738596088	582064578	/nfs/dbraw/zinc/06/45/78/582064578.db2.gz	FVJCEWWBPQDAKM-GXFFZTMASA-N	-1	0	280.328	0.137	20	30		CCEDRM
C[C@@H](C(=O)N(C)CCC#N)N1CC[C@@H](NC(=O)[O-])C1	ZINC000738606062	582065416	/nfs/dbraw/zinc/06/54/16/582065416.db2.gz	ZXAMHWWJSYBYDE-VHSXEESVSA-N	-1	0	268.317	0.089	20	30		CCEDRM
C#C[C@H](C)NC(=O)c1ccc(-c2nc(=O)o[n-]2)cc1	ZINC000776269821	582066109	/nfs/dbraw/zinc/06/61/09/582066109.db2.gz	NYAXPKBVFXQGCP-QMMMGPOBSA-N	-1	0	257.249	0.781	20	30		CCEDRM
N#Cc1ccc(C(=O)NCCc2n[n-]c(=S)o2)nc1	ZINC000776313805	582069255	/nfs/dbraw/zinc/06/92/55/582069255.db2.gz	AYJHHTPMUUAHQQ-UHFFFAOYSA-N	-1	0	275.293	0.597	20	30		CCEDRM
Cc1cccc(OCC(=O)N(CC#N)CC(=O)[O-])c1	ZINC000738734086	582072827	/nfs/dbraw/zinc/07/28/27/582072827.db2.gz	GEBQETRUCNYFJJ-UHFFFAOYSA-N	-1	0	262.265	0.811	20	30		CCEDRM
CC(C)(NC(=O)[O-])c1noc(CN2CCO[C@H](C#N)C2)n1	ZINC000738755951	582073842	/nfs/dbraw/zinc/07/38/42/582073842.db2.gz	WDRCCHGZJDCZDQ-MRVPVSSYSA-N	-1	0	295.299	0.297	20	30		CCEDRM
CC(C)[C@@H](C#N)NC(=O)CN(C[C@H]1CCCO1)C(=O)[O-]	ZINC000738761884	582074235	/nfs/dbraw/zinc/07/42/35/582074235.db2.gz	NUMSKNJDMWPFET-GHMZBOCLSA-N	-1	0	283.328	0.810	20	30		CCEDRM
C[C@@H]1C[C@@H](C(=O)[N-]S(=O)(=O)CC(C)(C)C#N)CCO1	ZINC000776561748	582076489	/nfs/dbraw/zinc/07/64/89/582076489.db2.gz	WXBTZMRXFNXRQM-ZJUUUORDSA-N	-1	0	288.369	0.797	20	30		CCEDRM
N#Cc1c[nH]c(C(=O)N2CCSC[C@H]2c2nnn[n-]2)c1	ZINC000776565248	582078497	/nfs/dbraw/zinc/07/84/97/582078497.db2.gz	REZMKZTZNMEOCR-VIFPVBQESA-N	-1	0	289.324	0.330	20	30		CCEDRM
C=CCC[C@@H](NS(=O)(=O)N(C)CCC#N)C(=O)[O-]	ZINC000776596701	582083733	/nfs/dbraw/zinc/08/37/33/582083733.db2.gz	HZQUFQAVPXUDAL-SECBINFHSA-N	-1	0	275.330	0.086	20	30		CCEDRM
N#CC1(CS(=O)(=O)N(CC(=O)[O-])C2CC2)CC1	ZINC000776674595	582086405	/nfs/dbraw/zinc/08/64/05/582086405.db2.gz	VRNBZOFMWXIOSR-UHFFFAOYSA-N	-1	0	258.299	0.169	20	30		CCEDRM
Cc1nn(C)c(C)c1CC(=O)N(CC#N)CC(=O)[O-]	ZINC000738909417	582087557	/nfs/dbraw/zinc/08/75/57/582087557.db2.gz	QFGUUBQSXAPOOC-UHFFFAOYSA-N	-1	0	264.285	0.016	20	30		CCEDRM
C[C@H](CCNS(=O)(=O)CCCCC#N)NC(=O)[O-]	ZINC000738906726	582087588	/nfs/dbraw/zinc/08/75/88/582087588.db2.gz	PUWXTDDYGHXUBF-SECBINFHSA-N	-1	0	277.346	0.646	20	30		CCEDRM
Cc1nn(CCC(=O)[O-])c(C)c1C=NN1CCN(C)CC1	ZINC000738922280	582089453	/nfs/dbraw/zinc/08/94/53/582089453.db2.gz	GFUXKRLMXPRRCA-UHFFFAOYSA-N	-1	0	293.371	0.556	20	30		CCEDRM
C[C@@H](CNC(=O)[O-])N(C)C(=O)NC1CCN(CC#N)CC1	ZINC000738930356	582090599	/nfs/dbraw/zinc/09/05/99/582090599.db2.gz	UXFCRKROPXHEEQ-JTQLQIEISA-N	-1	0	297.359	0.272	20	30		CCEDRM
Cn1c2ccc(C(=O)N(CC#N)CC(=O)[O-])cc2[nH]c1=O	ZINC000738999505	582096469	/nfs/dbraw/zinc/09/64/69/582096469.db2.gz	RLNFBRMQQWOLPM-UHFFFAOYSA-N	-1	0	288.263	0.329	20	30		CCEDRM
N#C[C@@H]1CN(C(=O)CCSCC(=O)[O-])CCN1C1CC1	ZINC000739068647	582100509	/nfs/dbraw/zinc/10/05/09/582100509.db2.gz	GRRKJNZMBJOPRM-LLVKDONJSA-N	-1	0	297.380	0.393	20	30		CCEDRM
N#CCN(CC(=O)[O-])C(=O)CSCc1ccccn1	ZINC000739078342	582101538	/nfs/dbraw/zinc/10/15/38/582101538.db2.gz	FOFKDTXWFZLMEA-UHFFFAOYSA-N	-1	0	279.321	0.752	20	30		CCEDRM
N#CCN(CC(=O)[O-])C(=O)c1ccc2[nH]c(=O)oc2c1	ZINC000739085926	582101931	/nfs/dbraw/zinc/10/19/31/582101931.db2.gz	FOVWHZZNUMBKER-UHFFFAOYSA-N	-1	0	275.220	0.584	20	30		CCEDRM
N#CCN(CC(=O)[O-])C(=O)c1ccc2nccn2c1	ZINC000739087470	582102027	/nfs/dbraw/zinc/10/20/27/582102027.db2.gz	MIZJJIAHUJVBSU-UHFFFAOYSA-N	-1	0	258.237	0.385	20	30		CCEDRM
N#CCOc1ccccc1C(=O)N(CC#N)CC(=O)[O-]	ZINC000739091008	582102172	/nfs/dbraw/zinc/10/21/72/582102172.db2.gz	DJXHLJXPVXYHPN-UHFFFAOYSA-N	-1	0	273.248	0.639	20	30		CCEDRM
O=C([O-])Cn1cc(C=NNc2ccnc3ccccc32)nn1	ZINC000768485339	582107251	/nfs/dbraw/zinc/10/72/51/582107251.db2.gz	PBYNYLKCHKPUSH-UHFFFAOYSA-N	-1	0	296.290	0.779	20	30		CCEDRM
O=C([O-])Cn1cc(C=NNc2cnnc3ccccc32)nn1	ZINC000768485569	582107380	/nfs/dbraw/zinc/10/73/80/582107380.db2.gz	RTUHFCNHDVAWIX-UHFFFAOYSA-N	-1	0	297.278	0.752	20	30		CCEDRM
C=C(Br)CNC(=O)[C@@](C)(OC)C(=O)[O-]	ZINC000852942296	613237906	/nfs/dbraw/zinc/23/79/06/613237906.db2.gz	GUIODPQYIPGSGX-MRVPVSSYSA-N	-1	0	266.091	0.501	20	30		CCEDRM
N#CCCn1ccc(NC(=O)N2CC[C@H](C(=O)[O-])C2)n1	ZINC000819091205	596914088	/nfs/dbraw/zinc/91/40/88/596914088.db2.gz	SITRPIWRVWDTOD-VIFPVBQESA-N	-1	0	277.284	0.735	20	30		CCEDRM
N#Cc1ccc(CNC(=O)CSCC(=O)[O-])cc1	ZINC000158208548	597086315	/nfs/dbraw/zinc/08/63/15/597086315.db2.gz	QJYJWMLRWWDTQG-UHFFFAOYSA-N	-1	0	264.306	0.992	20	30		CCEDRM
C#CCCCS(=O)(=O)[N-]c1ncc2c(n1)CCOC2	ZINC000872008374	612985511	/nfs/dbraw/zinc/98/55/11/612985511.db2.gz	WEELLPHEMAGQFJ-UHFFFAOYSA-N	-1	0	281.337	0.704	20	30		CCEDRM
CN(CCS(=O)(=O)c1cccc(C#N)c1)CC(=O)[O-]	ZINC000163333531	597387634	/nfs/dbraw/zinc/38/76/34/597387634.db2.gz	PPWDNKQARLYVJZ-UHFFFAOYSA-N	-1	0	282.321	0.348	20	30		CCEDRM
C[C@@H]1COCCN(C(=O)[C@](C)(C#N)CC(=O)[O-])C1	ZINC000820251896	597603742	/nfs/dbraw/zinc/60/37/42/597603742.db2.gz	PTUYBTLOWCYWNM-CABZTGNLSA-N	-1	0	254.286	0.486	20	30		CCEDRM
Cn1ccc(C(=O)COC(=O)[C@@](C)(C#N)CC(=O)[O-])c1	ZINC000821297684	597614929	/nfs/dbraw/zinc/61/49/29/597614929.db2.gz	FLVYMVMVWVPHIP-CYBMUJFWSA-N	-1	0	278.264	0.756	20	30		CCEDRM
COc1coc(COC(=O)[C@@](C)(C#N)CC(=O)[O-])cc1=O	ZINC000820881733	597624156	/nfs/dbraw/zinc/62/41/56/597624156.db2.gz	RJPVJXBCUCYYFW-CYBMUJFWSA-N	-1	0	295.247	0.696	20	30		CCEDRM
C[C@H](NC(=O)[C@](C)(C#N)CC(=O)[O-])c1nnc2n1CCC2	ZINC000820113942	597632056	/nfs/dbraw/zinc/63/20/56/597632056.db2.gz	IVEGGBMOHVVXSD-SDBXPKJASA-N	-1	0	291.311	0.406	20	30		CCEDRM
C[C@@](C#N)(CC(=O)[O-])C(=O)NCCCNc1ncccn1	ZINC000819832586	597636166	/nfs/dbraw/zinc/63/61/66/597636166.db2.gz	BXZGTEVMKDBCTN-ZDUSSCGKSA-N	-1	0	291.311	0.399	20	30		CCEDRM
C[C@H](NC(=O)[C@](C)(C#N)CC(=O)[O-])C(=O)NC(C)(C)C	ZINC000820115479	597637683	/nfs/dbraw/zinc/63/76/83/597637683.db2.gz	WUFNMULUGJGFEN-SDBXPKJASA-N	-1	0	283.328	0.410	20	30		CCEDRM
Cn1c(Cl)cnc1CNC(=O)[C@](C)(C#N)CC(=O)[O-]	ZINC000821277892	597643865	/nfs/dbraw/zinc/64/38/65/597643865.db2.gz	UAYVCDVVJVMXHM-NSHDSACASA-N	-1	0	284.703	0.694	20	30		CCEDRM
C[C@@](C#N)(CC(=O)[O-])C(=O)NC[C@H](O)Cc1ccccc1	ZINC000819834286	597643648	/nfs/dbraw/zinc/64/36/48/597643648.db2.gz	MPQZBSVQAGPKHV-DOMZBBRYSA-N	-1	0	290.319	0.711	20	30		CCEDRM
C[C@@H]1CN(C(=O)[C@](C)(C#N)CC(=O)[O-])C[C@H](C)O1	ZINC000820244553	597662796	/nfs/dbraw/zinc/66/27/96/597662796.db2.gz	DYVLCDOVUWUEAV-SBMIAAHKSA-N	-1	0	254.286	0.627	20	30		CCEDRM
Cc1cc(C#N)cc(C)c1OCC(=O)NCC(=O)[O-]	ZINC000820954252	597761693	/nfs/dbraw/zinc/76/16/93/597761693.db2.gz	WKRPXEMTYDAZHH-UHFFFAOYSA-N	-1	0	262.265	0.755	20	30		CCEDRM
Cn1ccsc1=NC(=O)[C@](C)(C#N)CC(=O)[O-]	ZINC000821305295	598222569	/nfs/dbraw/zinc/22/25/69/598222569.db2.gz	VVYIEVFXNMMQBZ-JTQLQIEISA-N	-1	0	253.283	0.518	20	30		CCEDRM
C[C@@](C#N)(CC(=O)[O-])C(=O)NCCc1ccncc1	ZINC000819842463	598224632	/nfs/dbraw/zinc/22/46/32/598224632.db2.gz	QKJZDNXGSWJZRT-ZDUSSCGKSA-N	-1	0	261.281	0.745	20	30		CCEDRM
C[C@H](NC(=O)[C@](C)(C#N)CC(=O)[O-])[C@H]1CCOC1	ZINC000820115118	598228709	/nfs/dbraw/zinc/22/87/09/598228709.db2.gz	UDOVKJWEYFNPBU-AUTRQRHGSA-N	-1	0	254.286	0.532	20	30		CCEDRM
C[C@@H]1[C@H](C)OCCN1C(=O)[C@@](C)(C#N)CC(=O)[O-]	ZINC000820256835	598230656	/nfs/dbraw/zinc/23/06/56/598230656.db2.gz	LBEYRRXNRVCOBV-VDDIYKPWSA-N	-1	0	254.286	0.627	20	30		CCEDRM
C#CCO[C@@H](C)C(=O)Nc1ccn(C(C)(C)C(=O)[O-])n1	ZINC000909966495	612997718	/nfs/dbraw/zinc/99/77/18/612997718.db2.gz	SBMVWIUWKKIKCB-VIFPVBQESA-N	-1	0	279.296	0.680	20	30		CCEDRM
C#CCO[C@H](C)C(=O)N1CCSC[C@@H](C(=O)[O-])C1	ZINC000910147015	613000134	/nfs/dbraw/zinc/00/01/34/613000134.db2.gz	IJMNLDMFLYUNNY-ZJUUUORDSA-N	-1	0	271.338	0.301	20	30		CCEDRM
C#CCO[C@H](C)C(=O)[N-]S(=O)(=O)c1cnc(C)s1	ZINC000835349215	613002446	/nfs/dbraw/zinc/00/24/46/613002446.db2.gz	FMDPXRWPBJBVPQ-SSDOTTSWSA-N	-1	0	288.350	0.295	20	30		CCEDRM
C[C@@](NS(=O)(=O)c1ccc(C#N)nc1)(C(=O)[O-])C1CC1	ZINC000228697147	600238583	/nfs/dbraw/zinc/23/85/83/600238583.db2.gz	LGRHKZSVYMQCPY-LBPRGKRZSA-N	-1	0	295.320	0.485	20	30		CCEDRM
N#CC1(NC(=O)CN2CCC[C@@H]2C(=O)[O-])CCCCC1	ZINC000739066223	600438951	/nfs/dbraw/zinc/43/89/51/600438951.db2.gz	IPYJGGPGFRARHT-LLVKDONJSA-N	-1	0	279.340	0.878	20	30		CCEDRM
N#C[C@@H]1CN(C(=O)NCCCCC(=O)[O-])CCN1C1CC1	ZINC000739069235	600465911	/nfs/dbraw/zinc/46/59/11/600465911.db2.gz	ODRBUPLLNPCHEF-GFCCVEGCSA-N	-1	0	294.355	0.623	20	30		CCEDRM
C[C@H](CC#N)NS(=O)(=O)c1ccc(CC(=O)[O-])cc1	ZINC000050391945	600649839	/nfs/dbraw/zinc/64/98/39/600649839.db2.gz	PLXWDPYACFMAPO-SECBINFHSA-N	-1	0	282.321	0.894	20	30		CCEDRM
C[C@H](CC#N)N(C)S(=O)(=O)c1c[nH]c(C(=O)[O-])c1	ZINC000063087682	600738937	/nfs/dbraw/zinc/73/89/37/600738937.db2.gz	MIUSZETXQRXVOW-SSDOTTSWSA-N	-1	0	271.298	0.636	20	30		CCEDRM
Cc1ccc(S(=O)(=O)N(CC#N)CC(=O)[O-])cc1	ZINC000586119020	600764031	/nfs/dbraw/zinc/76/40/31/600764031.db2.gz	ZSMXYBKZLJDKGG-UHFFFAOYSA-N	-1	0	268.294	0.594	20	30		CCEDRM
Cc1nc(-c2ccc(C(=O)N(CC#N)CC(=O)[O-])cc2)n[nH]1	ZINC000833020960	600963380	/nfs/dbraw/zinc/96/33/80/600963380.db2.gz	DAAIYCZIOFUCKN-UHFFFAOYSA-N	-1	0	299.290	0.831	20	30		CCEDRM
C#CCN(CC)CC(=O)N1CCC(C(=O)[O-])CC1	ZINC000382469608	601008835	/nfs/dbraw/zinc/00/88/35/601008835.db2.gz	AGNXGAOFEBIZHV-UHFFFAOYSA-N	-1	0	252.314	0.265	20	30		CCEDRM
Cc1ccc(OC[C@H](O)CN(CC#N)CC(=O)[O-])c(C)c1	ZINC000832951637	601226482	/nfs/dbraw/zinc/22/64/82/601226482.db2.gz	QWMNHAKUNWJZPF-CYBMUJFWSA-N	-1	0	292.335	0.953	20	30		CCEDRM
Cc1cccc(C)c1OC[C@H](O)CN(CC#N)CC(=O)[O-]	ZINC000832966056	601227516	/nfs/dbraw/zinc/22/75/16/601227516.db2.gz	PDASEFPEQHZFBE-CYBMUJFWSA-N	-1	0	292.335	0.953	20	30		CCEDRM
C[C@@H](CS(=O)(=O)Oc1ccccc1C#N)C(=O)[O-]	ZINC000827569986	601272311	/nfs/dbraw/zinc/27/23/11/601272311.db2.gz	CGXSDSURPUDPGL-QMMMGPOBSA-N	-1	0	269.278	0.988	20	30		CCEDRM
N#CCN(CC(=O)[O-])C(=O)[C@@H]1CC12CCOCC2	ZINC000833065967	601286486	/nfs/dbraw/zinc/28/64/86/601286486.db2.gz	MBWWEEMBHMFBQR-VIFPVBQESA-N	-1	0	252.270	0.240	20	30		CCEDRM
C[C@H](CNC(=O)C(=O)Nc1ccc(F)cc1C#N)C(=O)[O-]	ZINC000827461303	601362035	/nfs/dbraw/zinc/36/20/35/601362035.db2.gz	SRZURTHGFUTURP-SSDOTTSWSA-N	-1	0	293.254	0.473	20	30		CCEDRM
N#Cc1ccccc1S(=O)(=O)N1CC[C@](F)(C(=O)[O-])C1	ZINC000833076571	601391907	/nfs/dbraw/zinc/39/19/07/601391907.db2.gz	JFAYDIIYAUQEOR-GFCCVEGCSA-N	-1	0	298.295	0.746	20	30		CCEDRM
Cn1cc(C#N)cc1C(=O)N1CCO[C@H](CC(=O)[O-])C1	ZINC000833040488	601670460	/nfs/dbraw/zinc/67/04/60/601670460.db2.gz	JUMSWLLWCSAEBA-SNVBAGLBSA-N	-1	0	277.280	0.212	20	30		CCEDRM
C#CCSCCNC(=O)CC[C@@H]1C[C@H](C(=O)[O-])CO1	ZINC000911424999	613015458	/nfs/dbraw/zinc/01/54/58/613015458.db2.gz	VHZKJMDRRIUYTB-WDEREUQCSA-N	-1	0	285.365	0.739	20	30		CCEDRM
C[C@H](CS(=O)(=O)OCC(F)(F)C(F)F)C(=O)[O-]	ZINC000827571072	601770646	/nfs/dbraw/zinc/77/06/46/601770646.db2.gz	HSOUXFPHSOXBEH-SCSAIBSYSA-N	-1	0	282.211	0.954	20	30		CCEDRM
C[C@H](CS(=O)(=O)N[C@H]1CCC[C@H]1C#N)C(=O)[O-]	ZINC000827553895	601798678	/nfs/dbraw/zinc/79/86/78/601798678.db2.gz	RHIMUGCKIWRXPD-VGMNWLOBSA-N	-1	0	260.315	0.319	20	30		CCEDRM
N#CCNC(=O)CNc1cc(F)c(F)cc1C(=O)[O-]	ZINC000833066979	601830498	/nfs/dbraw/zinc/83/04/98/601830498.db2.gz	MTXSYSCKCJUZFC-UHFFFAOYSA-N	-1	0	269.207	0.715	20	30		CCEDRM
COc1cc(C)nc(N=NCc2c(C(=O)[O-])cnn2C)n1	ZINC000848406665	617178501	/nfs/dbraw/zinc/17/85/01/617178501.db2.gz	PPESDFVZJWQQOP-UHFFFAOYSA-N	-1	0	290.283	0.671	20	30		CCEDRM
N#CCNS(=O)(=O)c1cccc(F)c1C(=O)[O-]	ZINC000833067256	602154175	/nfs/dbraw/zinc/15/41/75/602154175.db2.gz	BOKOBDZGVSEIDC-UHFFFAOYSA-N	-1	0	258.230	0.326	20	30		CCEDRM
C#CCCCCNC(=O)N1CCO[C@H](CC(=O)[O-])C1	ZINC000229757772	602264433	/nfs/dbraw/zinc/26/44/33/602264433.db2.gz	CSJSIGJDUQBLGM-LLVKDONJSA-N	-1	0	268.313	0.675	20	30		CCEDRM
Cc1cc(C(C#N)C(=O)CN(C)C(=O)[O-])nc(C)n1	ZINC000740059743	602622746	/nfs/dbraw/zinc/62/27/46/602622746.db2.gz	JUQLCDPODWZUSV-SECBINFHSA-N	-1	0	262.269	0.880	20	30		CCEDRM
C#CCNC(=O)[C@H](C)OC(=O)[C@@H]1CCC[C@@H](C(=O)[O-])C1	ZINC000825618335	612951101	/nfs/dbraw/zinc/95/11/01/612951101.db2.gz	AABPZMBQAHIZNM-HBNTYKKESA-N	-1	0	281.308	0.559	20	30		CCEDRM
C[C@H](CC(=O)NCCNc1ncccc1C#N)NC(=O)[O-]	ZINC000824647840	603406616	/nfs/dbraw/zinc/40/66/16/603406616.db2.gz	YSVDHVSIYQMKNB-SECBINFHSA-N	-1	0	291.311	0.528	20	30		CCEDRM
N#Cc1cnn(C(=O)[C@H]2CC[C@@H](NC(=O)[O-])C2)c1N	ZINC000831161756	603521185	/nfs/dbraw/zinc/52/11/85/603521185.db2.gz	KZIWDVRNGSYSRL-POYBYMJQSA-N	-1	0	263.257	0.413	20	30		CCEDRM
N#C[C@@H]1CN(C(=O)[O-])CCN1C(=O)Cc1cccnc1	ZINC000831082327	603589166	/nfs/dbraw/zinc/58/91/66/603589166.db2.gz	LBPILGFYFTZMIJ-LLVKDONJSA-N	-1	0	274.280	0.338	20	30		CCEDRM
CS[C@@H](C)C(=O)N1CCN(C(=O)[O-])C[C@@H]1C#N	ZINC000829703255	603595900	/nfs/dbraw/zinc/59/59/00/603595900.db2.gz	FPLLVMXRGCWVSY-YUMQZZPRSA-N	-1	0	257.315	0.452	20	30		CCEDRM
N#C[C@@H]1CN(C(=O)[O-])CCN1CC(=O)NCc1ccco1	ZINC000831091831	603728282	/nfs/dbraw/zinc/72/82/82/603728282.db2.gz	LXKKYXKPBVQZBK-SNVBAGLBSA-N	-1	0	292.295	0.084	20	30		CCEDRM
N#Cc1cnn(C(=O)[C@]2(F)CCN(C(=O)[O-])C2)c1N	ZINC000831161648	603862525	/nfs/dbraw/zinc/86/25/25/603862525.db2.gz	HPRPZOZQDCZFNE-JTQLQIEISA-N	-1	0	267.220	0.069	20	30		CCEDRM
C[C@]1(C(=O)Nc2cnn(CC#N)c2)CCN(C(=O)[O-])C1	ZINC000825684935	603902185	/nfs/dbraw/zinc/90/21/85/603902185.db2.gz	NGJFVOMAAGZYRD-LBPRGKRZSA-N	-1	0	277.284	0.735	20	30		CCEDRM
C[C@H](CC(=O)NC[C@@H]1CCCN(CC#N)C1)NC(=O)[O-]	ZINC000824634396	603914848	/nfs/dbraw/zinc/91/48/48/603914848.db2.gz	DQQJUGIUEHGORT-MNOVXSKESA-N	-1	0	282.344	0.384	20	30		CCEDRM
N#C[C@H](NC(=O)COC1CN(C(=O)[O-])C1)C1CCCCC1	ZINC000831070508	604060351	/nfs/dbraw/zinc/06/03/51/604060351.db2.gz	MFXLIKIOSUTSFP-LBPRGKRZSA-N	-1	0	295.339	0.954	20	30		CCEDRM
N#C[C@@H]1CN(C(=O)[O-])CCN1C(=O)c1ccc2n[nH]cc2c1	ZINC000831087385	604066594	/nfs/dbraw/zinc/06/65/94/604066594.db2.gz	LHDKKCLNYMMYHR-LLVKDONJSA-N	-1	0	299.290	0.891	20	30		CCEDRM
N#C[C@@H]1CN(C(=O)[O-])CCN1C(=O)CCc1nccs1	ZINC000831081947	604069807	/nfs/dbraw/zinc/06/98/07/604069807.db2.gz	DWHAYNMNYDMFCW-SECBINFHSA-N	-1	0	294.336	0.790	20	30		CCEDRM
N#C[C@@H]1CN(C(=O)[O-])CCN1C(=O)[C@H]1CCCOC1	ZINC000831076458	604071373	/nfs/dbraw/zinc/07/13/73/604071373.db2.gz	MTYPSRIPWBITDS-VHSXEESVSA-N	-1	0	267.285	0.127	20	30		CCEDRM
C[C@H](CN(C)C(=O)[O-])C(=O)Nc1cnn(CC#N)c1	ZINC000824880487	604131454	/nfs/dbraw/zinc/13/14/54/604131454.db2.gz	IALXPVDPOIXELM-MRVPVSSYSA-N	-1	0	265.273	0.591	20	30		CCEDRM
N#CCn1cc(NC(=O)CC2(NC(=O)[O-])CCC2)cn1	ZINC000831109379	604132166	/nfs/dbraw/zinc/13/21/66/604132166.db2.gz	HHHFLBSWSZHTNY-UHFFFAOYSA-N	-1	0	277.284	0.926	20	30		CCEDRM
N#C[C@@H](C(=O)N1CCCC1)C(=O)[C@]1(F)CCN(C(=O)[O-])C1	ZINC000831064279	604152919	/nfs/dbraw/zinc/15/29/19/604152919.db2.gz	DZDZPXYZFQKOHL-RNCFNFMXSA-N	-1	0	297.286	0.410	20	30		CCEDRM
N#CCCNC(=O)COC(=O)CC1(NC(=O)[O-])CCC1	ZINC000831097653	604238773	/nfs/dbraw/zinc/23/87/73/604238773.db2.gz	OTMQCJAFQYBOEX-UHFFFAOYSA-N	-1	0	283.284	0.140	20	30		CCEDRM
C[C@H](NC(=O)[O-])[C@@H]1CN(c2ncccc2C#N)CCO1	ZINC000825372215	604453060	/nfs/dbraw/zinc/45/30/60/604453060.db2.gz	LXOZMSDNNJIJEV-ONGXEEELSA-N	-1	0	276.296	0.815	20	30		CCEDRM
N#CCN1CCC(OC(=O)CCSCC(=O)[O-])CC1	ZINC000833067354	604733183	/nfs/dbraw/zinc/73/31/83/604733183.db2.gz	UTIVCPGOKOMQRY-UHFFFAOYSA-N	-1	0	286.353	0.725	20	30		CCEDRM
N#CC1CCN(C(=O)C[C@H]2CN(C(=O)[O-])CCO2)CC1	ZINC000831076769	604789440	/nfs/dbraw/zinc/78/94/40/604789440.db2.gz	SKYWUBPWLOYKCU-NSHDSACASA-N	-1	0	281.312	0.517	20	30		CCEDRM
C#CC[C@@H](NC(=O)[C@H](C)Cc1cnn(C)c1)C(=O)[O-]	ZINC000910050314	613040956	/nfs/dbraw/zinc/04/09/56/613040956.db2.gz	HUVSFWKLIQPMPJ-MWLCHTKSSA-N	-1	0	263.297	0.191	20	30		CCEDRM
C[C@@H](C#N)CNC(=O)C[C@H]1CN(C(=O)[O-])CCO1	ZINC000823648869	604874517	/nfs/dbraw/zinc/87/45/17/604874517.db2.gz	YGRUMNCYNNZQON-IUCAKERBSA-N	-1	0	255.274	0.031	20	30		CCEDRM
C[C@@H]1CC(=O)NCCN1Cc1cccc(C(=O)[O-])c1C#N	ZINC000833593504	604932744	/nfs/dbraw/zinc/93/27/44/604932744.db2.gz	SNLYHUAWGXFSFA-SNVBAGLBSA-N	-1	0	287.319	0.967	20	30		CCEDRM
C#CCCCNS(=O)(=O)c1n[nH]c(C)c1C(=O)[O-]	ZINC000833362529	605040767	/nfs/dbraw/zinc/04/07/67/605040767.db2.gz	WYHPFSWOYMHMBV-UHFFFAOYSA-N	-1	0	271.298	0.108	20	30		CCEDRM
N#CCCn1ccc(NC(=O)N2CC[C@H](NC(=O)[O-])C2)n1	ZINC000831096985	605088603	/nfs/dbraw/zinc/08/86/03/605088603.db2.gz	ARJLNDAGCZZZMZ-VIFPVBQESA-N	-1	0	292.299	0.671	20	30		CCEDRM
Cc1ccc(C#N)c(N2CCC([C@@H](O)C(=O)[O-])CC2)n1	ZINC000833747515	605160662	/nfs/dbraw/zinc/16/06/62/605160662.db2.gz	SMCYEFQQOSWXRC-GFCCVEGCSA-N	-1	0	275.308	0.924	20	30		CCEDRM
CS[C@@H](C)CC(=O)N1CCN(C(=O)[O-])C[C@@H]1C#N	ZINC000833893813	605321219	/nfs/dbraw/zinc/32/12/19/605321219.db2.gz	SPKMKJJWQVSZSC-IUCAKERBSA-N	-1	0	271.342	0.842	20	30		CCEDRM
C#CC[C@@H]1CCCN(S(=O)(=O)N(C)CCC(=O)[O-])C1	ZINC000849331730	613044996	/nfs/dbraw/zinc/04/49/96/613044996.db2.gz	BVTUKKHHYMKNBS-LLVKDONJSA-N	-1	0	288.369	0.373	20	30		CCEDRM
C#CC[C@@H]1CCCN(S(=O)(=O)CCCC(=O)[O-])C1	ZINC000849332519	613045014	/nfs/dbraw/zinc/04/50/14/613045014.db2.gz	PGFFUBUHJKBRDB-LLVKDONJSA-N	-1	0	273.354	0.916	20	30		CCEDRM
N#CCCCNC(=O)NC[C@@H]1CCN(C(=O)[O-])C1	ZINC000833968961	605423230	/nfs/dbraw/zinc/42/32/30/605423230.db2.gz	PKBUJQFOFLIQCB-VIFPVBQESA-N	-1	0	254.290	0.589	20	30		CCEDRM
C[C@@]1(C#N)CCCN(CC(=O)NCCC(=O)[O-])C1	ZINC000833551470	605419147	/nfs/dbraw/zinc/41/91/47/605419147.db2.gz	LMVXDTPJTUNIEG-LBPRGKRZSA-N	-1	0	253.302	0.203	20	30		CCEDRM
N#C[C@H](NC(=O)[C@H]1CCC[C@@H]1NC(=O)[O-])C1CC1	ZINC000833961350	605461478	/nfs/dbraw/zinc/46/14/78/605461478.db2.gz	QNEACYAPXMXDQF-GUBZILKMSA-N	-1	0	251.286	0.841	20	30		CCEDRM
N#CCc1ccc(C(=O)NC2CN(C(=O)[O-])C2)cc1	ZINC000833967278	605472453	/nfs/dbraw/zinc/47/24/53/605472453.db2.gz	ISCBYBJBTZFJBR-UHFFFAOYSA-N	-1	0	259.265	0.845	20	30		CCEDRM
C#CCCNC(=O)C(=O)Nc1scc(C(=O)[O-])c1C	ZINC000833365500	613046747	/nfs/dbraw/zinc/04/67/47/613046747.db2.gz	SGZPOUGGQWWEOE-UHFFFAOYSA-N	-1	0	280.305	0.833	20	30		CCEDRM
N#Cc1ccc(C(=O)NC[C@@H]2CCN(C(=O)[O-])C2)nc1	ZINC000833972697	605530288	/nfs/dbraw/zinc/53/02/88/605530288.db2.gz	GGYPKRMAGKEJBL-JTQLQIEISA-N	-1	0	274.280	0.683	20	30		CCEDRM
C[C@@H](NC(=O)CN(CC#N)CC(=O)[O-])c1cccs1	ZINC000827631103	617191877	/nfs/dbraw/zinc/19/18/77/617191877.db2.gz	WRUJZLZQCLUPQK-SECBINFHSA-N	-1	0	281.337	0.835	20	30		CCEDRM
Cc1onc(CC(=O)N2CCN(C(=O)[O-])[C@H](C)C2)c1C#N	ZINC000833936823	605697794	/nfs/dbraw/zinc/69/77/94/605697794.db2.gz	QYUWIDKIRMPIQW-MRVPVSSYSA-N	-1	0	292.295	0.608	20	30		CCEDRM
Cc1onc(CC(=O)N2CCCN2C(=O)[O-])c1C#N	ZINC000833936625	605700022	/nfs/dbraw/zinc/70/00/22/605700022.db2.gz	NTBICRHXMCBXMI-UHFFFAOYSA-N	-1	0	264.241	0.525	20	30		CCEDRM
N#CC1(C(=O)N[C@H]2CCCN(C(=O)[O-])C2)CCC1	ZINC000739065733	605702065	/nfs/dbraw/zinc/70/20/65/605702065.db2.gz	ANXUVQYGTGRIDN-VIFPVBQESA-N	-1	0	251.286	0.939	20	30		CCEDRM
N#CC1(COC(=O)COCCNC(=O)[O-])CCCC1	ZINC000833964068	605781257	/nfs/dbraw/zinc/78/12/57/605781257.db2.gz	BZSRVUMFKHCFDL-UHFFFAOYSA-N	-1	0	270.285	0.898	20	30		CCEDRM
C=C(C)COCCNC(=O)c1cc(C(=O)[O-])no1	ZINC000379249425	605875816	/nfs/dbraw/zinc/87/58/16/605875816.db2.gz	DDGIVROXIVTHPE-UHFFFAOYSA-N	-1	0	254.242	0.695	20	30		CCEDRM
N#CCN(C(=O)[C@H](CC(F)F)NC(=O)[O-])C1CC1	ZINC000833965995	606020360	/nfs/dbraw/zinc/02/03/60/606020360.db2.gz	XYVSOZRPFGBCJY-ZETCQYMHSA-N	-1	0	261.228	0.792	20	30		CCEDRM
C#CCCS(=O)(=O)[N-]C(=O)[C@@H](C)OCCC=C	ZINC000810784752	613052911	/nfs/dbraw/zinc/05/29/11/613052911.db2.gz	NRGYNAZFHNFNHB-SNVBAGLBSA-N	-1	0	259.327	0.437	20	30		CCEDRM
C#CCCS(=O)(=O)[N-]C(=O)COCc1ccc(C)cc1	ZINC000857023267	613052713	/nfs/dbraw/zinc/05/27/13/613052713.db2.gz	PVRQTYKHQFSDEW-UHFFFAOYSA-N	-1	0	295.360	0.981	20	30		CCEDRM
C#CCCS(=O)(=O)[N-]C(=O)[C@H](C)Cc1ccco1	ZINC000850999352	613053241	/nfs/dbraw/zinc/05/32/41/613053241.db2.gz	DBLWKCDNOBSAGJ-SNVBAGLBSA-N	-1	0	269.322	0.928	20	30		CCEDRM
CC(C)(C)OCCCn1c(N)nc(-c2nnn[n-]2)c1C#N	ZINC000819949984	606791534	/nfs/dbraw/zinc/79/15/34/606791534.db2.gz	FEIGXTUKLPDJEL-UHFFFAOYSA-N	-1	0	290.331	0.722	20	30		CCEDRM
C#CC[C@H](NC(=O)C[C@@H](O)CC(C)(C)C)C(=O)[O-]	ZINC000910051056	613068018	/nfs/dbraw/zinc/06/80/18/613068018.db2.gz	RHLYNGTYMWJYCQ-ZJUUUORDSA-N	-1	0	255.314	0.766	20	30		CCEDRM
CC1(C)C[C@H]1C(=O)Nc1nc(C#N)c(-c2nn[nH]n2)[n-]1	ZINC000824796079	607780714	/nfs/dbraw/zinc/78/07/14/607780714.db2.gz	MBWDPGVZJBLCOK-YFKPBYRVSA-N	-1	0	272.272	0.446	20	30		CCEDRM
C#CC[C@H](NC(=O)[C@@H](OCC)C1CCOCC1)C(=O)[O-]	ZINC000910049012	613068784	/nfs/dbraw/zinc/06/87/84/613068784.db2.gz	QZNBWMNOLNAFBY-RYUDHWBXSA-N	-1	0	283.324	0.411	20	30		CCEDRM
C#C[C@@H](C)NC(=O)c1ccc([N-]S(C)(=O)=O)nc1	ZINC000860948276	613082392	/nfs/dbraw/zinc/08/23/92/613082392.db2.gz	ZHWMTGKACFCKJN-MRVPVSSYSA-N	-1	0	267.310	0.205	20	30		CCEDRM
C#CCN(C1CC1)S(=O)(=O)c1cc(C(=O)[O-])n(C)c1	ZINC000906932264	613097836	/nfs/dbraw/zinc/09/78/36/613097836.db2.gz	YXUZACZMEHGVEA-UHFFFAOYSA-N	-1	0	282.321	0.510	20	30		CCEDRM
C#CCN(CC#CC)C(=O)C[C@]1(C(=O)[O-])CCOC1	ZINC000872935489	613099730	/nfs/dbraw/zinc/09/97/30/613099730.db2.gz	PPVBNWZTOVLCAM-CQSZACIVSA-N	-1	0	263.293	0.353	20	30		CCEDRM
N#Cc1c(-c2nnn[n-]2)nc(N)n1Cc1ccc(CO)cc1	ZINC000826382983	609418925	/nfs/dbraw/zinc/41/89/25/609418925.db2.gz	DVDICGDSGOYFSO-UHFFFAOYSA-N	-1	0	296.294	0.058	20	30		CCEDRM
C#CCN(CC)C(=O)CO[C@H]1CCCN(C(=O)[O-])C1	ZINC000823451063	613105683	/nfs/dbraw/zinc/10/56/83/613105683.db2.gz	MMOBWRQIPDJPSN-NSHDSACASA-N	-1	0	268.313	0.627	20	30		CCEDRM
C#C[C@H]1CC[C@H](NC(=O)[C@H]2CC[C@@H](C(=O)[O-])O2)CC1	ZINC000873004505	613108709	/nfs/dbraw/zinc/10/87/09/613108709.db2.gz	KWNCQAMATCUGEP-KKOKHZNYSA-N	-1	0	265.309	0.927	20	30		CCEDRM
C#CCC(C)(C)C(=O)[N-]S(=O)(=O)C(COC)COC	ZINC000851503581	612965629	/nfs/dbraw/zinc/96/56/29/612965629.db2.gz	FRFIBAWCLNMCQT-UHFFFAOYSA-N	-1	0	291.369	0.143	20	30		CCEDRM
C=CCS(=O)(=O)[N-]C(=O)[C@@]1(OC)CCSC1	ZINC000892882958	613886173	/nfs/dbraw/zinc/88/61/73/613886173.db2.gz	RMTBSSGSWRGIKT-SECBINFHSA-N	-1	0	265.356	0.141	20	30		CCEDRM
COc1cc2c(cc1OC)C(=NNCCC(=O)[O-])C(=O)N2	ZINC000820805127	617218886	/nfs/dbraw/zinc/21/88/86/617218886.db2.gz	IQUPYUPHCWZDQW-UHFFFAOYSA-N	-1	0	293.279	0.424	20	30		CCEDRM
C#CCC1(NC(=O)c2cc(=O)n(C)[n-]2)CCOCC1	ZINC000925420232	612970309	/nfs/dbraw/zinc/97/03/09/612970309.db2.gz	HMBTWSKSVHQEFO-UHFFFAOYSA-N	-1	0	263.297	0.428	20	30		CCEDRM
C#CCCCCC(=O)N1CCC[C@H]1C(=O)NCC(=O)[O-]	ZINC000910756781	612975429	/nfs/dbraw/zinc/97/54/29/612975429.db2.gz	HMHRLEZKUYVCKR-NSHDSACASA-N	-1	0	280.324	0.372	20	30		CCEDRM
C#CCOCCC(=O)N(CC(=O)[O-])C1CCCC1	ZINC000833364147	612977295	/nfs/dbraw/zinc/97/72/95/612977295.db2.gz	KHLYFUMSUWJPBI-UHFFFAOYSA-N	-1	0	253.298	0.882	20	30		CCEDRM
C#CCCCCNC(=O)c1ccc(-c2nn[nH]n2)[nH]1	ZINC000823840735	612978336	/nfs/dbraw/zinc/97/83/36/612978336.db2.gz	CVDHCWRBKCLSKK-UHFFFAOYSA-N	-1	0	258.285	0.728	20	30		CCEDRM
CCC[C@H](OC)C(=O)[N-]S(=O)(=O)CC(C)(C)C#N	ZINC000835275892	614433166	/nfs/dbraw/zinc/43/31/66/614433166.db2.gz	LSMMODSPCNXWSQ-VIFPVBQESA-N	-1	0	276.358	0.797	20	30		CCEDRM
CCC[C@H](OC)C(=O)[N-]S(=O)(=O)CCCC#N	ZINC000835273086	614433189	/nfs/dbraw/zinc/43/31/89/614433189.db2.gz	GVRRDAJZKJYQEE-VIFPVBQESA-N	-1	0	262.331	0.551	20	30		CCEDRM
C#CCOCCC(=O)[N-]S(=O)(=O)[C@@H]1COC(C)(C)C1	ZINC000861141380	612980148	/nfs/dbraw/zinc/98/01/48/612980148.db2.gz	ZNMPLKSVVZOHEC-JTQLQIEISA-N	-1	0	289.353	0.040	20	30		CCEDRM
CSCCCC(=O)[N-]S(=O)(=O)c1cncc(C#N)c1	ZINC000813981699	617232955	/nfs/dbraw/zinc/23/29/55/617232955.db2.gz	UUXHDNSPFCLKPU-UHFFFAOYSA-N	-1	0	299.377	0.901	20	30		CCEDRM
COc1ccc(CNC(=O)N2CC(C(=O)[O-])C2)cc1C#N	ZINC000857097159	617254123	/nfs/dbraw/zinc/25/41/23/617254123.db2.gz	MTGWCGMKLKKXCP-UHFFFAOYSA-N	-1	0	289.291	0.793	20	30		CCEDRM
COc1ccc(S(=O)(=O)[N-]C(=O)[C@@H](C)CC#N)cn1	ZINC000850987448	617277702	/nfs/dbraw/zinc/27/77/02/617277702.db2.gz	FGNUEIOPZGIINY-QMMMGPOBSA-N	-1	0	283.309	0.445	20	30		CCEDRM
COc1cccc(CNC(=O)CN(CC#N)CC(=O)[O-])c1	ZINC000832553713	617298066	/nfs/dbraw/zinc/29/80/66/617298066.db2.gz	GWLUSRBVNXKYEY-UHFFFAOYSA-N	-1	0	291.307	0.222	20	30		CCEDRM
C#CCC1(C(=O)NCC(=O)[N-]OC)CCCCC1	ZINC000832758138	612968290	/nfs/dbraw/zinc/96/82/90/612968290.db2.gz	UDBBDYNYHOZGLV-UHFFFAOYSA-N	-1	0	252.314	0.754	20	30		CCEDRM
C#CCOCCC(=O)N[C@H](c1nc(=O)o[n-]1)C(C)(C)C	ZINC000911585714	612980885	/nfs/dbraw/zinc/98/08/85/612980885.db2.gz	LNCZOELTBAKCFM-SNVBAGLBSA-N	-1	0	281.312	0.606	20	30		CCEDRM
C#CCCCNC(=O)C(=O)Nc1cc(C(=O)[O-])n(C)c1	ZINC000833362125	612981035	/nfs/dbraw/zinc/98/10/35/612981035.db2.gz	ADNVXQJQTYNQPO-UHFFFAOYSA-N	-1	0	277.280	0.191	20	30		CCEDRM
C#CCCCNC(=O)C(=O)Nc1cccc(C(=O)[O-])c1	ZINC000825605843	612981074	/nfs/dbraw/zinc/98/10/74/612981074.db2.gz	SOHCAOCDTJRXTR-UHFFFAOYSA-N	-1	0	274.276	0.853	20	30		CCEDRM
C#CCCCNC(=O)N1CCC([C@H](O)C(=O)[O-])CC1	ZINC000833362303	612981302	/nfs/dbraw/zinc/98/13/02/612981302.db2.gz	KUOHGFKADCZJQR-NSHDSACASA-N	-1	0	268.313	0.267	20	30		CCEDRM
C#CCOCCNC(=O)NCC1(C(=O)[O-])CCCC1	ZINC000833366085	612986881	/nfs/dbraw/zinc/98/68/81/612986881.db2.gz	FWNQLTMJGFDLBS-UHFFFAOYSA-N	-1	0	268.313	0.580	20	30		CCEDRM
C#CCO[N-]C(=O)CNC(=O)c1ccccc1OC(F)F	ZINC000812784446	612992157	/nfs/dbraw/zinc/99/21/57/612992157.db2.gz	ONCZJJAFUZHFIO-UHFFFAOYSA-N	-1	0	298.245	0.699	20	30		CCEDRM
C#CCO[N-]C(=O)[C@@H]1COCCN1C1CCCC1	ZINC000812787013	612992732	/nfs/dbraw/zinc/99/27/32/612992732.db2.gz	YXWCSANUXJUHDE-LBPRGKRZSA-N	-1	0	252.314	0.311	20	30		CCEDRM
C#CCO[N-]C(=O)[C@]1(C)C[C@@H](O)CN1C(=O)OC(C)(C)C	ZINC000912450380	612993209	/nfs/dbraw/zinc/99/32/09/612993209.db2.gz	PXFCDYRWHOAJPA-YGRLFVJLSA-N	-1	0	298.339	0.428	20	30		CCEDRM
C#CCO[C@@H](C)C(=O)N1CC[C@]2(C(=O)[O-])CCC[C@H]12	ZINC000910398519	612995506	/nfs/dbraw/zinc/99/55/06/612995506.db2.gz	WROZVUUNWUYSTH-COPLHBTASA-N	-1	0	265.309	0.881	20	30		CCEDRM
C#CCO[C@@H](C)C(=O)N1C[C@H](C(=O)[O-])[C@@H](C(F)(F)F)C1	ZINC000910392205	612995645	/nfs/dbraw/zinc/99/56/45/612995645.db2.gz	GGAGHDFXYKKGRP-CIUDSAMLSA-N	-1	0	293.241	0.746	20	30		CCEDRM
C#CCO[C@@H](C)C(=O)NC[C@@H](CC(=O)[O-])C1CC1	ZINC000909969662	612996206	/nfs/dbraw/zinc/99/62/06/612996206.db2.gz	UEYHMFKRQWCHJP-GXSJLCMTSA-N	-1	0	253.298	0.642	20	30		CCEDRM
C#CCO[C@@H](C)C(=O)N[C@@H]1C[C@@H]2C[C@H](C(=O)[O-])C[C@H]12	ZINC000907959321	612997269	/nfs/dbraw/zinc/99/72/69/612997269.db2.gz	NVGAOPWBWHPHPE-UHFZAUJKSA-N	-1	0	265.309	0.640	20	30		CCEDRM
C#CCO[C@H](C)C(=O)NC[C@@H](CC1CC1)C(=O)[O-]	ZINC000909882740	613001463	/nfs/dbraw/zinc/00/14/63/613001463.db2.gz	YRXHXMCRPURGFW-MWLCHTKSSA-N	-1	0	253.298	0.642	20	30		CCEDRM
C#CCO[C@H](C)C(=O)[N-]S(=O)(=O)C1(CC)CC1	ZINC000835534920	613002136	/nfs/dbraw/zinc/00/21/36/613002136.db2.gz	BMIRUPGEVDQRFV-SECBINFHSA-N	-1	0	259.327	0.413	20	30		CCEDRM
C#CCO[C@H](C)C(=O)N[C@H](C[C@H]1CCCOC1)C(=O)[O-]	ZINC000910239456	613003315	/nfs/dbraw/zinc/00/33/15/613003315.db2.gz	DMSAPILSLMSTAY-IJLUTSLNSA-N	-1	0	283.324	0.411	20	30		CCEDRM
C#CCOc1ccccc1CNC(=O)N[C@H](CF)C(=O)[O-]	ZINC000908960315	613008003	/nfs/dbraw/zinc/00/80/03/613008003.db2.gz	CNIGIKUJWNZWBC-LLVKDONJSA-N	-1	0	294.282	0.921	20	30		CCEDRM
C#CC[C@@H](CO)NC(=O)c1ccc2oc(=O)nc-2[n-]1	ZINC000854542671	613029053	/nfs/dbraw/zinc/02/90/53/613029053.db2.gz	SBBSVMHCSYZTIM-ZETCQYMHSA-N	-1	0	261.237	0.042	20	30		CCEDRM
C#CC[C@@H](COC)NC(=O)c1ccc2oc(=O)nc-2[n-]1	ZINC000863805535	613037588	/nfs/dbraw/zinc/03/75/88/613037588.db2.gz	PFFBUKHXIZYKDQ-QMMMGPOBSA-N	-1	0	275.264	0.697	20	30		CCEDRM
C#CC[C@@H](NC(=O)CCc1nccs1)C(=O)[O-]	ZINC000910051970	613039864	/nfs/dbraw/zinc/03/98/64/613039864.db2.gz	KGYKJKPJKZOCQZ-MRVPVSSYSA-N	-1	0	252.295	0.668	20	30		CCEDRM
C#CC[C@@H](NC(=O)[C@H](O)CCc1ccccc1)C(=O)[O-]	ZINC000910052080	613041257	/nfs/dbraw/zinc/04/12/57/613041257.db2.gz	NQSGRBWDAJACBB-CHWSQXEVSA-N	-1	0	275.304	0.573	20	30		CCEDRM
C#CC[C@@H](NC(=O)[C@H]1CCc2n[nH]cc2C1)C(=O)[O-]	ZINC000910050123	613041294	/nfs/dbraw/zinc/04/12/94/613041294.db2.gz	FQTKTNPKISJDTN-GZMMTYOYSA-N	-1	0	261.281	0.107	20	30		CCEDRM
C#CC[C@@H](NC(=O)c1cnn(C)c1C(F)F)C(=O)[O-]	ZINC000910055000	613042245	/nfs/dbraw/zinc/04/22/45/613042245.db2.gz	VZSLBAHPVSYNMC-SSDOTTSWSA-N	-1	0	271.223	0.564	20	30		CCEDRM
C#CC[C@@H](NC(=O)c1csc(NC2CC2)n1)C(=O)[O-]	ZINC000910051542	613042465	/nfs/dbraw/zinc/04/24/65/613042465.db2.gz	XTGWXADQYZVGCN-MRVPVSSYSA-N	-1	0	279.321	0.924	20	30		CCEDRM
C#CC[C@@H](NC(=O)c1n[nH]c2c1C[C@@H](C)CC2)C(=O)[O-]	ZINC000910048350	613042579	/nfs/dbraw/zinc/04/25/79/613042579.db2.gz	JHUJNCSGIGMJGO-GZMMTYOYSA-N	-1	0	275.308	0.741	20	30		CCEDRM
C#CCCNC(=O)C(=O)Nc1ccc(OC)cc1C(=O)[O-]	ZINC000833365005	613046873	/nfs/dbraw/zinc/04/68/73/613046873.db2.gz	GYNOZDPKASANTP-UHFFFAOYSA-N	-1	0	290.275	0.471	20	30		CCEDRM
C#CCCNS(=O)(=O)c1cnn(C)c1Br	ZINC000866785584	613048147	/nfs/dbraw/zinc/04/81/47/613048147.db2.gz	YBAUCGNNRQQIGE-UHFFFAOYSA-N	-1	0	292.158	0.484	20	30		CCEDRM
C#CCCS(=O)(=O)[N-]C(=O)C[C@H](OCC)C(C)C	ZINC000810779459	613052975	/nfs/dbraw/zinc/05/29/75/613052975.db2.gz	NJIQNORKUVFPLG-NSHDSACASA-N	-1	0	275.370	0.907	20	30		CCEDRM
C#CCCS(=O)(=O)[N-]C(=O)C[C@@H](C)n1cccn1	ZINC000820894962	613052996	/nfs/dbraw/zinc/05/29/96/613052996.db2.gz	HLFDRUHJUHTTSE-SNVBAGLBSA-N	-1	0	269.326	0.304	20	30		CCEDRM
C#CCCS(=O)(=O)[N-]C(=O)[C@@H]1COc2ccccc21	ZINC000810784899	613053127	/nfs/dbraw/zinc/05/31/27/613053127.db2.gz	SAGUNOFZZLYFPO-LLVKDONJSA-N	-1	0	279.317	0.632	20	30		CCEDRM
C#CCCS(=O)(=O)[N-]C(=O)c1cn2c(n1)C[C@H](C)CC2	ZINC000870332480	613053739	/nfs/dbraw/zinc/05/37/39/613053739.db2.gz	WUUAVDSJMQJQOA-SNVBAGLBSA-N	-1	0	295.364	0.548	20	30		CCEDRM
C#CCCS(=O)(=O)[N-]C(=O)c1ccnn1CC1CCC1	ZINC000870330573	613053781	/nfs/dbraw/zinc/05/37/81/613053781.db2.gz	FCFHTEDVODYZOZ-UHFFFAOYSA-N	-1	0	295.364	0.766	20	30		CCEDRM
C#CCCS(=O)(=O)[N-]C(=O)c1ncccc1OC	ZINC000870332709	613053934	/nfs/dbraw/zinc/05/39/34/613053934.db2.gz	ZCFKOWJZYDOAEZ-UHFFFAOYSA-N	-1	0	268.294	0.173	20	30		CCEDRM
C#CCCS(=O)(=O)[N-]C(=O)c1ncoc1CC	ZINC000810786764	613053952	/nfs/dbraw/zinc/05/39/52/613053952.db2.gz	VZNJQRIUNKYSJA-UHFFFAOYSA-N	-1	0	256.283	0.320	20	30		CCEDRM
C#CCCS(=O)(=O)[N-]C(=O)c1ncoc1C1CC1	ZINC000816056181	613053955	/nfs/dbraw/zinc/05/39/55/613053955.db2.gz	IEJQXEPHYWDBGH-UHFFFAOYSA-N	-1	0	268.294	0.635	20	30		CCEDRM
C#CC[C@H](CO)NC(=O)[C@]1(C(=O)[O-])C[C@@H]1c1ccccc1	ZINC000907821440	613057311	/nfs/dbraw/zinc/05/73/11/613057311.db2.gz	JWMHEXIEVGCOQL-IOASZLSFSA-N	-1	0	287.315	0.745	20	30		CCEDRM
C#CC[C@H](CO)NC(=O)[C@]1(C(=O)[O-])C[C@H]1c1ccccc1	ZINC000907821441	613057328	/nfs/dbraw/zinc/05/73/28/613057328.db2.gz	JWMHEXIEVGCOQL-WWGRRREGSA-N	-1	0	287.315	0.745	20	30		CCEDRM
C#CC[C@H](NC(=O)CN1CCCCCCC1=O)C(=O)[O-]	ZINC000910052622	613067889	/nfs/dbraw/zinc/06/78/89/613067889.db2.gz	CVECOCCTNMXSCK-NSHDSACASA-N	-1	0	280.324	0.372	20	30		CCEDRM
C#CC[C@H](NC(=O)COCc1ccc(OC)nc1)C(=O)[O-]	ZINC000910050146	613067934	/nfs/dbraw/zinc/06/79/34/613067934.db2.gz	GEYGNKBFKIGTPF-NSHDSACASA-N	-1	0	292.291	0.200	20	30		CCEDRM
C#CC[C@H](NC(=O)[C@@H](C)c1c(C)nn(C)c1C)C(=O)[O-]	ZINC000910053519	613068572	/nfs/dbraw/zinc/06/85/72/613068572.db2.gz	BAZWATVCHPXDQC-KWQFWETISA-N	-1	0	277.324	0.733	20	30		CCEDRM
C#CC[C@H](NC(=O)c1cn(C)nc1C(C)C)C(=O)[O-]	ZINC000910054443	613070393	/nfs/dbraw/zinc/07/03/93/613070393.db2.gz	OEJDGOHTBZGUCR-JTQLQIEISA-N	-1	0	263.297	0.750	20	30		CCEDRM
C#CC[C@H](NC(=O)c1n[nH]c2c1CCCCC2)C(=O)[O-]	ZINC000910052420	613070647	/nfs/dbraw/zinc/07/06/47/613070647.db2.gz	XCSSQQJDKZTXRO-NSHDSACASA-N	-1	0	275.308	0.885	20	30		CCEDRM
C#CC[C@H](NC(=O)c1nnn(C(C)C)c1C)C(=O)[O-]	ZINC000910051105	613070837	/nfs/dbraw/zinc/07/08/37/613070837.db2.gz	SGIDPDIGUZYQLM-VIFPVBQESA-N	-1	0	264.285	0.374	20	30		CCEDRM
C#CCn1ccc(CN(CC)S(=O)(=O)c2ncc[n-]2)n1	ZINC000867204936	613078579	/nfs/dbraw/zinc/07/85/79/613078579.db2.gz	VOGFMSBFIZIGFG-UHFFFAOYSA-N	-1	0	293.352	0.450	20	30		CCEDRM
C#C[C@@H](C)NS(=O)(=O)c1cccc(C(=O)[O-])c1C	ZINC000122966016	613082224	/nfs/dbraw/zinc/08/22/24/613082224.db2.gz	IDNQHGWXEVQXBN-MRVPVSSYSA-N	-1	0	267.306	0.993	20	30		CCEDRM
C#C[C@@H](C)OC(=O)COc1ccccc1-c1nn[nH]n1	ZINC000819689183	613082701	/nfs/dbraw/zinc/08/27/01/613082701.db2.gz	XBMGGVPBUATTFZ-SECBINFHSA-N	-1	0	272.264	0.810	20	30		CCEDRM
C#C[C@@H](CC)NC(=O)c1cc(S(N)(=O)=O)ccc1[O-]	ZINC000834381749	613084294	/nfs/dbraw/zinc/08/42/94/613084294.db2.gz	TXOYLCLACWDLFR-QMMMGPOBSA-N	-1	0	282.321	0.181	20	30		CCEDRM
C#C[C@@H](CC)NS(=O)(=O)c1ccc([N+](=O)[O-])cn1	ZINC000845923784	613084517	/nfs/dbraw/zinc/08/45/17/613084517.db2.gz	QLBYTBROGSWAIE-QMMMGPOBSA-N	-1	0	269.282	0.680	20	30		CCEDRM
C#C[C@@H](NC(=O)CCSCC(=O)[O-])[C@@H]1CCCO1	ZINC000911578279	613092051	/nfs/dbraw/zinc/09/20/51/613092051.db2.gz	IAKHUXAWJXOWAX-ZJUUUORDSA-N	-1	0	271.338	0.491	20	30		CCEDRM
C#C[C@@H](NC(=O)CCCn1c(=O)[n-][nH]c1=O)C(C)C	ZINC000907966836	613092131	/nfs/dbraw/zinc/09/21/31/613092131.db2.gz	OWDXHDYIZQDVPD-SECBINFHSA-N	-1	0	266.301	0.244	20	30		CCEDRM
C#CCN(C1CCCC1)S(=O)(=O)C[C@@H](C)C(=O)[O-]	ZINC000825608769	613097746	/nfs/dbraw/zinc/09/77/46/613097746.db2.gz	KIXRLPDHKKYMGG-SNVBAGLBSA-N	-1	0	273.354	0.915	20	30		CCEDRM
C#CCN(CC(=O)[O-])S(=O)(=O)c1cc(C)cs1	ZINC000849219656	613103580	/nfs/dbraw/zinc/10/35/80/613103580.db2.gz	SSUBIGPIRZRMPN-UHFFFAOYSA-N	-1	0	273.335	0.765	20	30		CCEDRM
C#CCN(CC(=O)[N-]OCCOC)C(=O)OC(C)(C)C	ZINC000829683293	613103219	/nfs/dbraw/zinc/10/32/19/613103219.db2.gz	WEKPMZXWVUIMGS-UHFFFAOYSA-N	-1	0	286.328	0.551	20	30		CCEDRM
C#CCN(CC(=O)[O-])S(=O)(=O)C1Cc2ccccc2C1	ZINC000849219273	613103587	/nfs/dbraw/zinc/10/35/87/613103587.db2.gz	OPOBFPOORXIAMX-UHFFFAOYSA-N	-1	0	293.344	0.503	20	30		CCEDRM
C#CCN(CC(=O)[O-])S(=O)(=O)c1cnccc1OCC	ZINC000849219850	613104009	/nfs/dbraw/zinc/10/40/09/613104009.db2.gz	YSYCWYVPHTULEP-UHFFFAOYSA-N	-1	0	298.320	0.189	20	30		CCEDRM
C#CCN(CC(=O)[O-])S(=O)(=O)c1cccc(OC)c1	ZINC000130524939	613104032	/nfs/dbraw/zinc/10/40/32/613104032.db2.gz	WDOYTNPRYCACSQ-UHFFFAOYSA-N	-1	0	283.305	0.404	20	30		CCEDRM
C#CCN(CC)CC(=O)N[C@H](C(=O)[O-])[C@H](C)CC	ZINC000825614785	613106489	/nfs/dbraw/zinc/10/64/89/613106489.db2.gz	XXBYCDNIMANHOC-PWSUYJOCSA-N	-1	0	254.330	0.557	20	30		CCEDRM
C#C[C@H](CO)NC(=O)[C@@]1(C(=O)[O-])C[C@H]1c1ccccc1	ZINC000907840407	613127849	/nfs/dbraw/zinc/12/78/49/613127849.db2.gz	BVUIVMAETICNRS-TYNCELHUSA-N	-1	0	273.288	0.355	20	30		CCEDRM
C#C[C@H]1CCCCN1C(=O)Cn1[n-]cc2c(=O)ncnc1-2	ZINC000890649781	613154172	/nfs/dbraw/zinc/15/41/72/613154172.db2.gz	HMOKARVYWJONMW-JTQLQIEISA-N	-1	0	285.307	0.086	20	30		CCEDRM
C#C[C@H]1CCCN(C(=O)c2cnc(C(=O)[O-])cn2)C1	ZINC000911408212	613158671	/nfs/dbraw/zinc/15/86/71/613158671.db2.gz	BOUAFLFXWYGBMM-VIFPVBQESA-N	-1	0	259.265	0.660	20	30		CCEDRM
C#Cc1ccc(C(=O)N2CC(n3cc(C(=O)[O-])nn3)C2)cn1	ZINC000833368058	613167480	/nfs/dbraw/zinc/16/74/80/613167480.db2.gz	DUDRXMAHWKRKNX-UHFFFAOYSA-N	-1	0	297.274	0.050	20	30		CCEDRM
C#Cc1ccc(C(=O)N[C@@]2(C(=O)[O-])CCOC2)cn1	ZINC000825636144	613187919	/nfs/dbraw/zinc/18/79/19/613187919.db2.gz	DASLRSUIWBWQSX-ZDUSSCGKSA-N	-1	0	260.249	0.036	20	30		CCEDRM
C#Cc1cccc(CNC(=O)NCC(=O)[N-]OCC)c1	ZINC000845530285	613200291	/nfs/dbraw/zinc/20/02/91/613200291.db2.gz	KBYNFJDQIXFGAK-UHFFFAOYSA-N	-1	0	275.308	0.535	20	30		CCEDRM
C#Cc1cccc(NC(=O)C(=O)N(C)C[C@H](C)C(=O)[O-])c1	ZINC000817890161	613201750	/nfs/dbraw/zinc/20/17/50/613201750.db2.gz	XFGXLFFFGUAYAZ-JTQLQIEISA-N	-1	0	288.303	0.786	20	30		CCEDRM
C#Cc1cccc(NC(=O)CNC(=O)C(C)(C)C(=O)[O-])c1	ZINC000844152544	613203726	/nfs/dbraw/zinc/20/37/26/613203726.db2.gz	UBKOYHMMYSHGMV-UHFFFAOYSA-N	-1	0	288.303	0.833	20	30		CCEDRM
C#CCN1CCN(C(=O)[C@@H](C)CN(C)C(=O)[O-])CC1	ZINC000823450725	613206611	/nfs/dbraw/zinc/20/66/11/613206611.db2.gz	HLILSBIRQRTCAA-NSHDSACASA-N	-1	0	267.329	0.010	20	30		CCEDRM
C#Cc1ccccc1CC(=O)[N-]S(=O)(=O)N(C)CCC	ZINC000810627601	613206949	/nfs/dbraw/zinc/20/69/49/613206949.db2.gz	UPIKXIKIXWLZMI-UHFFFAOYSA-N	-1	0	294.376	0.913	20	30		CCEDRM
C#Cc1cncc(C(=O)N2CCC[C@H](O)[C@@H]2C(=O)[O-])c1	ZINC000911631799	613213094	/nfs/dbraw/zinc/21/30/94/613213094.db2.gz	SALYVGNFHSCALN-NWDGAFQWSA-N	-1	0	274.276	0.113	20	30		CCEDRM
C#Cc1cncc(C(=O)N2CC[C@@H](C(=O)[O-])[C@@H]2C)c1	ZINC000909810140	613214079	/nfs/dbraw/zinc/21/40/79/613214079.db2.gz	VOLYQJLCAWRPSE-JOYOIKCWSA-N	-1	0	258.277	0.998	20	30		CCEDRM
C#Cc1cncc(C(=O)N[C@@]2(C(=O)[O-])CCSC2)c1	ZINC000909351039	613220861	/nfs/dbraw/zinc/22/08/61/613220861.db2.gz	HQMAOGQWXTYFPW-ZDUSSCGKSA-N	-1	0	276.317	0.753	20	30		CCEDRM
C=C(C)C(C)(C)C(=O)[N-]S(=O)(=O)[C@@H](C)C(=O)OC	ZINC000820606898	613244505	/nfs/dbraw/zinc/24/45/05/613244505.db2.gz	XOTQJAWKHIUMAA-QMMMGPOBSA-N	-1	0	277.342	0.596	20	30		CCEDRM
C=C(C)COCCNS(=O)(=O)N=S(C)(C)=O	ZINC000866964469	613352246	/nfs/dbraw/zinc/35/22/46/613352246.db2.gz	KZYFVRXTYIIOGA-UHFFFAOYSA-N	-1	0	270.376	0.141	20	30		CCEDRM
C=C(C)COCCNC(=O)[C@H](C)CN(C)C(=O)[O-]	ZINC000823480765	613352148	/nfs/dbraw/zinc/35/21/48/613352148.db2.gz	NSJNOCQMZGHRDJ-SNVBAGLBSA-N	-1	0	258.318	0.941	20	30		CCEDRM
C=C(C)COCCNS(=O)(=O)C[C@@H](C)C(=O)[O-]	ZINC000825647150	613352283	/nfs/dbraw/zinc/35/22/83/613352283.db2.gz	FZJQLHXACBKCPH-SECBINFHSA-N	-1	0	265.331	0.219	20	30		CCEDRM
C=C(C)COCCNS(=O)(=O)CC1(CC(=O)[O-])CC1	ZINC000825647803	613352309	/nfs/dbraw/zinc/35/23/09/613352309.db2.gz	VRKYJOITUUAAOC-UHFFFAOYSA-N	-1	0	291.369	0.753	20	30		CCEDRM
C=C(C)CO[N-]C(=O)C(=O)Nc1ncc(OC)s1	ZINC000846147896	613352331	/nfs/dbraw/zinc/35/23/31/613352331.db2.gz	XCOXYHOHXQRQRW-UHFFFAOYSA-N	-1	0	271.298	0.714	20	30		CCEDRM
C=C(C)CO[N-]C(=O)C(=O)Nc1c2c(nn1C)CCCC2	ZINC000873934035	613352360	/nfs/dbraw/zinc/35/23/60/613352360.db2.gz	FYONTLFNWWORRZ-UHFFFAOYSA-N	-1	0	292.339	0.861	20	30		CCEDRM
C=C(C)CO[N-]C(=O)C(=O)Nc1cnc(N(C)C)nc1	ZINC000846146913	613352386	/nfs/dbraw/zinc/35/23/86/613352386.db2.gz	SIOSVAWHVUSPNK-UHFFFAOYSA-N	-1	0	279.300	0.105	20	30		CCEDRM
C=C(C)CO[N-]C(=O)C(=O)Nc1cnccc1OC	ZINC000846148774	613352388	/nfs/dbraw/zinc/35/23/88/613352388.db2.gz	CQYBQFDANAORIF-UHFFFAOYSA-N	-1	0	265.269	0.653	20	30		CCEDRM
C=C(C)CO[N-]C(=O)[C@@H](C)Sc1nncn1C	ZINC000846537626	613353705	/nfs/dbraw/zinc/35/37/05/613353705.db2.gz	ILIWOHHIEBDELQ-MRVPVSSYSA-N	-1	0	256.331	0.920	20	30		CCEDRM
C=C(C)CO[N-]C(=O)[C@@H](C)n1cnc2c1ncnc2N	ZINC000855026875	613353797	/nfs/dbraw/zinc/35/37/97/613353797.db2.gz	RLJPTCDBDPJIDN-MRVPVSSYSA-N	-1	0	276.300	0.593	20	30		CCEDRM
C=C(C)C[C@@H](NC(=O)[C@H](O)C1CCOCC1)C(=O)[O-]	ZINC000910292894	613356107	/nfs/dbraw/zinc/35/61/07/613356107.db2.gz	SGFNEVLEFSPWQT-GHMZBOCLSA-N	-1	0	271.313	0.310	20	30		CCEDRM
C=C(C)C[C@@H](NC(=O)c1csc(=O)[nH]1)C(=O)[O-]	ZINC000910292212	613356243	/nfs/dbraw/zinc/35/62/43/613356243.db2.gz	NGTWNJRZZWVQOM-ZCFIWIBFSA-N	-1	0	256.283	0.998	20	30		CCEDRM
C=C(C)C[C@@H](NC(=O)c1nnn(C)c1C)C(=O)[O-]	ZINC000910291248	613356286	/nfs/dbraw/zinc/35/62/86/613356286.db2.gz	HPOOEVBWSMQACF-MRVPVSSYSA-N	-1	0	252.274	0.273	20	30		CCEDRM
C=C(C)C[C@H](C)C(=O)[N-]S(=O)(=O)c1c(C)onc1N	ZINC000810826601	613357042	/nfs/dbraw/zinc/35/70/42/613357042.db2.gz	DAIMKYFBJBBPHQ-ZETCQYMHSA-N	-1	0	287.341	0.972	20	30		CCEDRM
C=C(C)C[C@H](CO)NS(=O)(=O)c1cccnc1F	ZINC000882845104	613358542	/nfs/dbraw/zinc/35/85/42/613358542.db2.gz	HBRKRPVFABSGND-SECBINFHSA-N	-1	0	274.317	0.826	20	30		CCEDRM
C=C(C)C[C@H](NC(=O)[C@@H](OC)c1cnn(C)c1)C(=O)[O-]	ZINC000910292717	613358757	/nfs/dbraw/zinc/35/87/57/613358757.db2.gz	HRHJPXOKIZSDNB-QWRGUYRKSA-N	-1	0	281.312	0.643	20	30		CCEDRM
C=C(C)C[C@H](NC(=O)[C@@H](O)C1CCOCC1)C(=O)[O-]	ZINC000910292896	613358795	/nfs/dbraw/zinc/35/87/95/613358795.db2.gz	SGFNEVLEFSPWQT-QWRGUYRKSA-N	-1	0	271.313	0.310	20	30		CCEDRM
C=C(C)C[C@H](NC(=O)c1cnc(C)n1C)C(=O)[O-]	ZINC000910292119	613359168	/nfs/dbraw/zinc/35/91/68/613359168.db2.gz	CVCDNLVHQOCRNK-VIFPVBQESA-N	-1	0	251.286	0.878	20	30		CCEDRM
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CC[C@@](F)(C(=O)[O-])C1	ZINC000909314853	613361176	/nfs/dbraw/zinc/36/11/76/613361176.db2.gz	ZGEQGFPPYMSWDQ-KWBADKCTSA-N	-1	0	271.288	0.993	20	30		CCEDRM
C=C(C)[C@@H]1OCC[C@@H]1C(=O)NC[C@@H]1C[C@@H]1C(=O)[O-]	ZINC000910609954	613361382	/nfs/dbraw/zinc/36/13/82/613361382.db2.gz	VHVKDTGMABLIGH-NAKRPEOUSA-N	-1	0	253.298	0.805	20	30		CCEDRM
C=C(CC)CNC(=O)C(=O)NC[C@H](CC)C(=O)[O-]	ZINC000927951276	613363219	/nfs/dbraw/zinc/36/32/19/613363219.db2.gz	UGBPJXPPXHLREW-VIFPVBQESA-N	-1	0	256.302	0.296	20	30		CCEDRM
C=C(Cl)C[C@@H](NC(=O)COC[C@H]1CCCO1)C(=O)[O-]	ZINC000864185205	613388510	/nfs/dbraw/zinc/38/85/10/613388510.db2.gz	WDWFKGPBUQVZOC-NXEZZACHSA-N	-1	0	291.731	0.894	20	30		CCEDRM
C=C(Cl)C[C@H](NC(=O)[C@H](O)C1CCC1)C(=O)[O-]	ZINC000910265660	613390778	/nfs/dbraw/zinc/39/07/78/613390778.db2.gz	ITYOHBRCUQXXGX-DTWKUNHWSA-N	-1	0	261.705	0.859	20	30		CCEDRM
C=C(Cl)C[C@H](NC(=O)[C@H](OC)[C@@H]1CCOC1)C(=O)[O-]	ZINC000864186590	613390858	/nfs/dbraw/zinc/39/08/58/613390858.db2.gz	SOWMEKYWQJDBEX-KXUCPTDWSA-N	-1	0	291.731	0.750	20	30		CCEDRM
C=CCSCCNC(=O)CCCn1c(=O)[n-][nH]c1=O	ZINC000906443093	613395140	/nfs/dbraw/zinc/39/51/40/613395140.db2.gz	NDBQAORFUSAVOB-UHFFFAOYSA-N	-1	0	286.357	0.505	20	30		CCEDRM
C=CC[C@@H]1CCCN(C(=O)N=c2nn[n-]n2CC)C1	ZINC000888323336	613408214	/nfs/dbraw/zinc/40/82/14/613408214.db2.gz	WMEQYTPKGSJUTD-SNVBAGLBSA-N	-1	0	264.333	0.935	20	30		CCEDRM
C=CC[C@@H]1CCN(C(=O)CCCn2c(=O)[n-][nH]c2=O)C1	ZINC000912983360	613408217	/nfs/dbraw/zinc/40/82/17/613408217.db2.gz	YZZFINDQNGNZEZ-SNVBAGLBSA-N	-1	0	280.328	0.894	20	30		CCEDRM
C=C1C[C@H]2CC[C@@H](C1)N2C(=O)NCC(=O)[N-]OCC	ZINC000852399674	613417372	/nfs/dbraw/zinc/41/73/72/613417372.db2.gz	PQBLKSRDRMVGTD-PHIMTYICSA-N	-1	0	267.329	0.947	20	30		CCEDRM
C=C1C[C@H]2CC[C@@H](C1)N2C(=O)Cn1[n-]cc2c(=O)ncnc1-2	ZINC000856200899	613417406	/nfs/dbraw/zinc/41/74/06/613417406.db2.gz	WAYBXWVVUBBQHG-PHIMTYICSA-N	-1	0	299.334	0.781	20	30		CCEDRM
C=CCc1cc([N+](=O)[O-])ccc1OCC(=O)NCC(=O)[O-]	ZINC000819720200	613423467	/nfs/dbraw/zinc/42/34/67/613423467.db2.gz	MKNCHBOKFHEBTC-UHFFFAOYSA-N	-1	0	294.263	0.903	20	30		CCEDRM
C=CCn1cc(C(=O)NC(C)(C)CC(=O)[O-])nn1	ZINC000844154524	613427941	/nfs/dbraw/zinc/42/79/41/613427941.db2.gz	AQCWCAJTTPERAP-UHFFFAOYSA-N	-1	0	252.274	0.447	20	30		CCEDRM
C=CCn1cc(C(=O)[N-]S(=O)(=O)CCC(C)C)nn1	ZINC000842714014	613429546	/nfs/dbraw/zinc/42/95/46/613429546.db2.gz	HEQWGLLUNWELEU-UHFFFAOYSA-N	-1	0	286.357	0.570	20	30		CCEDRM
C=C[C@@H](C)O[N-]C(=O)C(=O)Nc1ncn(C(C)(C)C)n1	ZINC000846152701	613443241	/nfs/dbraw/zinc/44/32/41/613443241.db2.gz	CLKCMLPWDFOXGG-MRVPVSSYSA-N	-1	0	281.316	0.594	20	30		CCEDRM
C=C[C@@H](C)O[N-]C(=O)C(=O)Nc1ccnn1CCC	ZINC000846154106	613443255	/nfs/dbraw/zinc/44/32/55/613443255.db2.gz	NVIJZNXHSDAHRR-SECBINFHSA-N	-1	0	266.301	0.854	20	30		CCEDRM
C=C[C@@H](C)O[N-]C(=O)Cc1nnn(C(C)(C)C)n1	ZINC000855028558	613443498	/nfs/dbraw/zinc/44/34/98/613443498.db2.gz	WBPVYRJAUQMHAA-MRVPVSSYSA-N	-1	0	253.306	0.593	20	30		CCEDRM
C=C[C@@H](C)ONC(=O)C[C@@H]1CCCS(=O)(=O)C1	ZINC000846552849	613443590	/nfs/dbraw/zinc/44/35/90/613443590.db2.gz	RGGQQMZIUZKKMG-ZJUUUORDSA-N	-1	0	261.343	0.824	20	30		CCEDRM
C=CC(C)(C)CCNC(=O)N=c1nn[n-]n1CC	ZINC000888321083	613447456	/nfs/dbraw/zinc/44/74/56/613447456.db2.gz	HTGGPFHCWSTYNF-UHFFFAOYSA-N	-1	0	252.322	0.839	20	30		CCEDRM
C=CC(C)(C)NS(=O)(=O)N1CCC[C@@H]1C(=O)[O-]	ZINC000903556743	613449374	/nfs/dbraw/zinc/44/93/74/613449374.db2.gz	IOVHWLFWZULPDJ-MRVPVSSYSA-N	-1	0	262.331	0.334	20	30		CCEDRM
C=CC1(S(=O)(=O)[N-]C(=O)C2=COCCC2)CC1	ZINC000870834578	613450346	/nfs/dbraw/zinc/45/03/46/613450346.db2.gz	IVBQBQSTONUPKS-UHFFFAOYSA-N	-1	0	257.311	0.845	20	30		CCEDRM
C=CC1(S(=O)(=O)[N-]C(=O)C2(OC)CCOCC2)CC1	ZINC000870836630	613450360	/nfs/dbraw/zinc/45/03/60/613450360.db2.gz	JCUKCBGWXMIPGQ-UHFFFAOYSA-N	-1	0	289.353	0.347	20	30		CCEDRM
C=CC1(S(=O)(=O)[N-]C(=O)[C@H](C)c2cncnc2)CC1	ZINC000870837689	613451554	/nfs/dbraw/zinc/45/15/54/613451554.db2.gz	VCIBSUJFVFKHGJ-SECBINFHSA-N	-1	0	281.337	0.745	20	30		CCEDRM
C=CC1(S(=O)(=O)[N-]C(=O)[C@@]2(C)CCC(=O)NC2)CC1	ZINC000870836720	613451618	/nfs/dbraw/zinc/45/16/18/613451618.db2.gz	MKTOEZSOJDHNAS-NSHDSACASA-N	-1	0	286.353	0.067	20	30		CCEDRM
C=C[C@@H](O)C(=O)NC[C@H](Cc1cccc(F)c1)C(=O)[O-]	ZINC000909236945	613451783	/nfs/dbraw/zinc/45/17/83/613451783.db2.gz	WMKHTZNHXQCEJP-CMPLNLGQSA-N	-1	0	281.283	0.732	20	30		CCEDRM
C=CC1(S(=O)(=O)[N-]C(=O)c2ccc(C)[nH]c2=O)CC1	ZINC000870833002	613451858	/nfs/dbraw/zinc/45/18/58/613451858.db2.gz	JPMWAABPBBMWCC-UHFFFAOYSA-N	-1	0	282.321	0.874	20	30		CCEDRM
C=CC1(S(=O)(=O)[N-]C(=O)c2ncccn2)CC1	ZINC000893305993	613452237	/nfs/dbraw/zinc/45/22/37/613452237.db2.gz	XOHCZIDBNMIFRD-UHFFFAOYSA-N	-1	0	253.283	0.255	20	30		CCEDRM
C=C[C@@H](O)C(=O)N[C@H]1CCSC2(CC(C(=O)[O-])C2)C1	ZINC000908175089	613452694	/nfs/dbraw/zinc/45/26/94/613452694.db2.gz	YBPBQSGSDGOIHR-CABQIACGSA-N	-1	0	285.365	0.779	20	30		CCEDRM
C=CCC(C)(C)C(=O)N[C@H](C)C(=O)N[C@H](C)C(=O)[O-]	ZINC000910748714	613452967	/nfs/dbraw/zinc/45/29/67/613452967.db2.gz	VQUPUOQFCIDUAJ-RKDXNWHRSA-N	-1	0	270.329	0.683	20	30		CCEDRM
C=CCC(CC=C)C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)[O-]	ZINC000910288818	613453594	/nfs/dbraw/zinc/45/35/94/613453594.db2.gz	MSJSTXINDDLNEX-UWVGGRQHSA-N	-1	0	282.340	0.849	20	30		CCEDRM
C=CCC1(S(=O)(=O)[N-]C(=O)[C@@H]2C[C@@]23CCOC3)CC1	ZINC000810980231	613461378	/nfs/dbraw/zinc/46/13/78/613461378.db2.gz	SDXCPKBONAXQRB-CMPLNLGQSA-N	-1	0	285.365	0.968	20	30		CCEDRM
C=CCCCC(=O)[N-]S(=O)(=O)c1c(C)cnn1C	ZINC000813988199	613464828	/nfs/dbraw/zinc/46/48/28/613464828.db2.gz	FDEFOXGZMSMHSR-UHFFFAOYSA-N	-1	0	271.342	0.890	20	30		CCEDRM
C=CCCC[C@@H](NC(=O)C1(C(=O)[O-])CC1)C(=O)OC	ZINC000902835727	613470042	/nfs/dbraw/zinc/47/00/42/613470042.db2.gz	NQEUAPSZBCPJBC-SECBINFHSA-N	-1	0	269.297	0.865	20	30		CCEDRM
C=CCCC[C@@H](NC(=O)[C@@H]1COCCN1CC)C(=O)[O-]	ZINC000910923205	613471123	/nfs/dbraw/zinc/47/11/23/613471123.db2.gz	QPRWNUGIUBJBDF-NEPJUHHUSA-N	-1	0	284.356	0.633	20	30		CCEDRM
C=CCCC[C@H](NC(=O)[C@H](OC)[C@@H]1CCOC1)C(=O)[O-]	ZINC000910926381	613474232	/nfs/dbraw/zinc/47/42/32/613474232.db2.gz	SEMJOUWQZFIQGC-GRYCIOLGSA-N	-1	0	285.340	0.964	20	30		CCEDRM
C=C[C@@](C)(CC)C(=O)NCCn1cc(C(=O)[O-])nn1	ZINC000909819395	613476511	/nfs/dbraw/zinc/47/65/11/613476511.db2.gz	ZKNDKMNBULNQOX-LBPRGKRZSA-N	-1	0	266.301	0.695	20	30		CCEDRM
C=C[C@@](C)(O)C(=O)N1CC[C@@](C(=O)[O-])(C(F)(F)F)C1	ZINC000909764096	613477898	/nfs/dbraw/zinc/47/78/98/613477898.db2.gz	WXTUYSAWRYDBGY-NXEZZACHSA-N	-1	0	281.230	0.789	20	30		CCEDRM
C=C[C@@](C)(O)C(=O)NCc1ccc(CC(=O)[O-])cc1	ZINC000910194319	613478879	/nfs/dbraw/zinc/47/88/79/613478879.db2.gz	FNECVVXYPREYDQ-CQSZACIVSA-N	-1	0	263.293	0.867	20	30		CCEDRM
C=C[C@H](C)O[N-]C(=O)C(=O)Nc1c(C)cnn1CC	ZINC000850476538	613483766	/nfs/dbraw/zinc/48/37/66/613483766.db2.gz	NCAGHAOANHLHPJ-VIFPVBQESA-N	-1	0	266.301	0.772	20	30		CCEDRM
C=C[C@H](O)C(=O)N1Cc2ccccc2C[C@H]1C(=O)[O-]	ZINC000908895593	613495324	/nfs/dbraw/zinc/49/53/24/613495324.db2.gz	GTQINZZHQUJALR-RYUDHWBXSA-N	-1	0	261.277	0.571	20	30		CCEDRM
C=C[C@H](O)C(=O)NC[C@@H](Cc1ccccc1OC)C(=O)[O-]	ZINC000909386327	613495674	/nfs/dbraw/zinc/49/56/74/613495674.db2.gz	WQGMTWCDXZQAPO-NEPJUHHUSA-N	-1	0	293.319	0.602	20	30		CCEDRM
C=C[C@H](O)C(=O)N[C@@H](C)[C@@H](Cc1ccccc1)C(=O)[O-]	ZINC000909817335	613496288	/nfs/dbraw/zinc/49/62/88/613496288.db2.gz	DERUBUBYYAMKSY-UHTWSYAYSA-N	-1	0	277.320	0.982	20	30		CCEDRM
C=C[C@H](O)C(=O)N[C@@H](C)[C@H](Cc1ccccc1)C(=O)[O-]	ZINC000909817329	613496959	/nfs/dbraw/zinc/49/69/59/613496959.db2.gz	DERUBUBYYAMKSY-DRZSPHRISA-N	-1	0	277.320	0.982	20	30		CCEDRM
C=C[C@](C)(CCOC)C(=O)NCCOCC(=O)[O-]	ZINC000909636830	613505459	/nfs/dbraw/zinc/50/54/59/613505459.db2.gz	KGXLPBGZMKJKFB-GFCCVEGCSA-N	-1	0	259.302	0.433	20	30		CCEDRM
C=C[C@](C)(CCOC)C(=O)NC[C@](C)(O)C(=O)[O-]	ZINC000911474909	613505721	/nfs/dbraw/zinc/50/57/21/613505721.db2.gz	ZUCXKGZCHMPCAU-NEPJUHHUSA-N	-1	0	259.302	0.167	20	30		CCEDRM
CC#CCCCC(=O)[N-]S(=O)(=O)c1cnc2n1CCC2	ZINC000802209498	613520467	/nfs/dbraw/zinc/52/04/67/613520467.db2.gz	ASFHCQUJPVBSHC-UHFFFAOYSA-N	-1	0	295.364	0.828	20	30		CCEDRM
CC#CCCNC(=O)N[C@@H](C[C@@H]1CCCOC1)C(=O)[O-]	ZINC000909030368	613522170	/nfs/dbraw/zinc/52/21/70/613522170.db2.gz	IQCWHYOEJYCDEB-RYUDHWBXSA-N	-1	0	282.340	0.969	20	30		CCEDRM
C=CCCOCC(=O)N[C@H]1C[C@@H]2C[C@]2(C(=O)[O-])C1	ZINC000864210412	613573329	/nfs/dbraw/zinc/57/33/29/613573329.db2.gz	TXFUWNZIONHGMP-NRUUGDAUSA-N	-1	0	253.298	0.949	20	30		CCEDRM
C=CCCO[N-]C(=O)[C@@](C)(O)Cn1ccccc1=O	ZINC000856034601	613577044	/nfs/dbraw/zinc/57/70/44/613577044.db2.gz	JANVENSLUIWKPE-ZDUSSCGKSA-N	-1	0	266.297	0.223	20	30		CCEDRM
C=CCCO[C@@H](C)C(=O)N1CCC([C@H](O)C(=O)[O-])CC1	ZINC000833373886	613577786	/nfs/dbraw/zinc/57/77/86/613577786.db2.gz	HYMYVARJQQOBSJ-JQWIXIFHSA-N	-1	0	285.340	0.652	20	30		CCEDRM
C=CCCO[C@@H](C)C(=O)[N-]S(=O)(=O)C1(C)CC1	ZINC000806028290	613578085	/nfs/dbraw/zinc/57/80/85/613578085.db2.gz	CFSICXFPHSBAAD-VIFPVBQESA-N	-1	0	261.343	0.966	20	30		CCEDRM
C=CCCO[C@@H](C)C(=O)N[C@@](C)(Cn1cccn1)C(=O)[O-]	ZINC000908272750	613578557	/nfs/dbraw/zinc/57/85/57/613578557.db2.gz	ONBJNXAMWCRRAO-FZMZJTMJSA-N	-1	0	295.339	0.824	20	30		CCEDRM
C=CCCS(=O)(=O)N1CCN(C(=O)[O-])C[C@@H]1C#N	ZINC000823501495	613580717	/nfs/dbraw/zinc/58/07/17/613580717.db2.gz	YAWAUCLZYXQHOP-VIFPVBQESA-N	-1	0	273.314	0.080	20	30		CCEDRM
C=CCCS(=O)(=O)N1CC[C@H](NC(=O)[O-])[C@H](C)C1	ZINC000823500516	613581095	/nfs/dbraw/zinc/58/10/95/613581095.db2.gz	GBULBVFBAPUNIS-ZJUUUORDSA-N	-1	0	276.358	0.870	20	30		CCEDRM
C=CCCS(=O)(=O)N[C@@H](C)C1(C(=O)[O-])CCOCC1	ZINC000903540847	613581701	/nfs/dbraw/zinc/58/17/01/613581701.db2.gz	LMKQFLJOJYJERB-JTQLQIEISA-N	-1	0	291.369	0.752	20	30		CCEDRM
C=CCC[C@@H](NC(=O)c1c(C)nnn1CC)C(=O)[O-]	ZINC000909715685	613584946	/nfs/dbraw/zinc/58/49/46/613584946.db2.gz	NRKXTPIDBYCFFE-SECBINFHSA-N	-1	0	266.301	0.756	20	30		CCEDRM
C=CCC[C@@H](NC(=O)[C@@H]1CCc2cncn2C1)C(=O)[O-]	ZINC000909715702	613585054	/nfs/dbraw/zinc/58/50/54/613585054.db2.gz	NTVDDNZKTQHVDF-ZYHUDNBSSA-N	-1	0	277.324	0.981	20	30		CCEDRM
CC#CCS(=O)(=O)[N-]C(=O)[C@@H]1O[C@@H](C)C[C@H]1C	ZINC000810776919	613646755	/nfs/dbraw/zinc/64/67/55/613646755.db2.gz	NENXVCQZOLUIEL-KXUCPTDWSA-N	-1	0	259.327	0.269	20	30		CCEDRM
C=CCN(CC(=O)[O-])C(=O)NCCOC[C@@H]1CCCO1	ZINC000908905348	613642350	/nfs/dbraw/zinc/64/23/50/613642350.db2.gz	LPTUIZLRIUPZGD-NSHDSACASA-N	-1	0	286.328	0.464	20	30		CCEDRM
C=CCN(CC(=O)[O-])C(=O)N[C@@H](C)c1ccn(C)n1	ZINC000929027555	613642474	/nfs/dbraw/zinc/64/24/74/613642474.db2.gz	CRBPLJNWPRYTIL-VIFPVBQESA-N	-1	0	266.301	0.763	20	30		CCEDRM
C=CCN(CC(=O)[O-])C(=O)NOC[C@@H]1CCOC1	ZINC000909248809	613642541	/nfs/dbraw/zinc/64/25/41/613642541.db2.gz	LPQVLLQMICFEQW-SECBINFHSA-N	-1	0	258.274	0.237	20	30		CCEDRM
C=CCN(CC(=O)[O-])C(=O)[C@H](C)N1CCSCC1	ZINC000909515694	613643196	/nfs/dbraw/zinc/64/31/96/613643196.db2.gz	FRWYOPSXOIBSHU-JTQLQIEISA-N	-1	0	272.370	0.523	20	30		CCEDRM
C=CCN(CC(=O)[O-])C(=O)N[C@H](C)c1ccn(C)n1	ZINC000929027552	613643365	/nfs/dbraw/zinc/64/33/65/613643365.db2.gz	CRBPLJNWPRYTIL-SECBINFHSA-N	-1	0	266.301	0.763	20	30		CCEDRM
C=CCN(CC(=O)[O-])C(=O)c1cnn2c1OCCC2	ZINC000909514349	613643661	/nfs/dbraw/zinc/64/36/61/613643661.db2.gz	FGLWYBFWJNHGQQ-UHFFFAOYSA-N	-1	0	265.269	0.378	20	30		CCEDRM
C=CCN(CC(=O)[O-])C[C@H](O)COCc1ccco1	ZINC000846264514	613643702	/nfs/dbraw/zinc/64/37/02/613643702.db2.gz	GLBGFQHPSLIWSB-NSHDSACASA-N	-1	0	269.297	0.730	20	30		CCEDRM
CC#CCNC(=O)Cc1[nH]c(C(C)=O)c(C)c1C(=O)[O-]	ZINC000833380889	613643768	/nfs/dbraw/zinc/64/37/68/613643768.db2.gz	RSFAWFXJESHXTD-UHFFFAOYSA-N	-1	0	276.292	0.906	20	30		CCEDRM
C=CCN(CC(=O)[O-])S(=O)(=O)c1cc(C2CC2)nn1C	ZINC000899920501	613643899	/nfs/dbraw/zinc/64/38/99/613643899.db2.gz	DFECHORSJLUELR-UHFFFAOYSA-N	-1	0	299.352	0.559	20	30		CCEDRM
CC#CCS(=O)(=O)[N-]C(=O)COCc1ccc(C)cc1	ZINC000857023553	613645872	/nfs/dbraw/zinc/64/58/72/613645872.db2.gz	YDXUKNSGHKDBII-UHFFFAOYSA-N	-1	0	295.360	0.981	20	30		CCEDRM
CC#CCS(=O)(=O)[N-]C(=O)CCCCSC	ZINC000810773157	613645926	/nfs/dbraw/zinc/64/59/26/613645926.db2.gz	UMBMSKARTFYQPW-UHFFFAOYSA-N	-1	0	263.384	0.989	20	30		CCEDRM
CC#CCS(=O)(=O)[N-]C(=O)[C@H]1[C@@H](C)[C@@H](C)O[C@H]1C	ZINC000860721041	613646770	/nfs/dbraw/zinc/64/67/70/613646770.db2.gz	VWVHDHHDMYBERZ-VLEAKVRGSA-N	-1	0	273.354	0.515	20	30		CCEDRM
CC#CCS(=O)(=O)[N-]C(=O)[C@H]1CCC(=O)C[C@@H]1C	ZINC000798202609	613647028	/nfs/dbraw/zinc/64/70/28/613647028.db2.gz	IDUQAZXHXLRFKJ-ONGXEEELSA-N	-1	0	271.338	0.461	20	30		CCEDRM
CC#CCS(=O)(=O)[N-]C(=O)c1cc(C2CC2)n[nH]1	ZINC000798203235	613647368	/nfs/dbraw/zinc/64/73/68/613647368.db2.gz	WGJBVXAZTIKTAX-UHFFFAOYSA-N	-1	0	267.310	0.370	20	30		CCEDRM
CC#CCS(=O)(=O)[N-]C(=O)c1cc(C2CC2)n(C)n1	ZINC000810773836	613647596	/nfs/dbraw/zinc/64/75/96/613647596.db2.gz	NKTQTVWGDYAAIO-UHFFFAOYSA-N	-1	0	281.337	0.380	20	30		CCEDRM
CC#CCS(=O)(=O)[N-]C(=O)c1ccc(NC(C)=O)cc1	ZINC000791110700	613647625	/nfs/dbraw/zinc/64/76/25/613647625.db2.gz	HKXZHRBCCJRBNA-UHFFFAOYSA-N	-1	0	294.332	0.728	20	30		CCEDRM
CC#CCS(=O)(=O)[N-]C(=O)c1cncnc1C(C)C	ZINC000810771710	613648029	/nfs/dbraw/zinc/64/80/29/613648029.db2.gz	NMRFYDVFZADILI-UHFFFAOYSA-N	-1	0	281.337	0.683	20	30		CCEDRM
C=CCN(CC=C)C(=O)[C@H](C)OC(=O)[C@H](C)NC(=O)[O-]	ZINC000833375421	613649058	/nfs/dbraw/zinc/64/90/58/613649058.db2.gz	WMFDCWTYTUMNPP-UWVGGRQHSA-N	-1	0	284.312	0.775	20	30		CCEDRM
C=CCN(CN1C[C@H](NC(=O)[O-])CC1=O)C(C)C	ZINC000833788337	613651147	/nfs/dbraw/zinc/65/11/47/613651147.db2.gz	VHHYYMZTQYUVRJ-SNVBAGLBSA-N	-1	0	255.318	0.709	20	30		CCEDRM
C=CCN1C(=O)NC2(CCN(C(=O)[O-])CC2)C1=O	ZINC000823507004	613652348	/nfs/dbraw/zinc/65/23/48/613652348.db2.gz	QELAQQWAPAQANN-UHFFFAOYSA-N	-1	0	253.258	0.237	20	30		CCEDRM
CC(=NN[C@@H]1CCS(=O)(=O)C1)c1ccc(C(=O)[O-])cc1	ZINC000825804421	613656739	/nfs/dbraw/zinc/65/67/39/613656739.db2.gz	IWUWUMTXAXEXGE-GFCCVEGCSA-N	-1	0	296.348	0.886	20	30		CCEDRM
C=CCNC(=O)NC(=O)C[NH2+][C@H](C(=O)[O-])[C@@H](C)CC	ZINC000819720228	613850228	/nfs/dbraw/zinc/85/02/28/613850228.db2.gz	ONQWALDVWNNABV-WPRPVWTQSA-N	-1	0	271.317	0.087	20	30		CCEDRM
C=CCNC(=O)NC[C@@H]1[C@H](C)OC(C)(C)N1C(=O)[O-]	ZINC000823511227	613852421	/nfs/dbraw/zinc/85/24/21/613852421.db2.gz	RJPJPBOCJFQMKJ-DTWKUNHWSA-N	-1	0	271.317	0.975	20	30		CCEDRM
C=CCNC(=O)C(C#N)=C([O-])c1ccc(-n2ccnn2)cc1	ZINC000127856363	613852927	/nfs/dbraw/zinc/85/29/27/613852927.db2.gz	CNVPKAPIPVZMRC-ZDUSSCGKSA-N	-1	0	295.302	0.892	20	30		CCEDRM
C=CCNC(=O)[C@@H](C)OC(=O)C[C@H]1CCCN1C(=O)[O-]	ZINC000823506317	613853588	/nfs/dbraw/zinc/85/35/88/613853588.db2.gz	GIKXKNYMSLUDGT-NXEZZACHSA-N	-1	0	284.312	0.753	20	30		CCEDRM
C=CCNC(=O)[C@@H](C)OC(=O)C1(NC(=O)[O-])CC1	ZINC000823507116	613853738	/nfs/dbraw/zinc/85/37/38/613853738.db2.gz	SMYCTVAZKFMKCY-SSDOTTSWSA-N	-1	0	256.258	0.021	20	30		CCEDRM
C=CCNC(=O)[C@@H](C)OC(=O)[C@H](CC)NC(=O)[O-]	ZINC000823507360	613853954	/nfs/dbraw/zinc/85/39/54/613853954.db2.gz	WEXWCQFWNWJSND-SFYZADRCSA-N	-1	0	258.274	0.267	20	30		CCEDRM
C=CCNC(=O)[C@@H](C)OC(=O)c1ccc([N+](=O)[O-])[n-]1	ZINC000798894999	613854271	/nfs/dbraw/zinc/85/42/71/613854271.db2.gz	RKQCOQHVXISVNV-SSDOTTSWSA-N	-1	0	267.241	0.770	20	30		CCEDRM
C=CCNC(=O)C(C#N)=C([O-])c1cnn(-c2ccccc2)n1	ZINC000916919982	613854882	/nfs/dbraw/zinc/85/48/82/613854882.db2.gz	FPCCNMNCODWHAO-GFCCVEGCSA-N	-1	0	295.302	0.892	20	30		CCEDRM
C=CCNS(=O)(=O)c1ccc(F)cc1C(=O)[O-]	ZINC000833376228	613860293	/nfs/dbraw/zinc/86/02/93/613860293.db2.gz	YWJSYOKTJRBXFN-UHFFFAOYSA-N	-1	0	259.258	0.988	20	30		CCEDRM
C=CCOCC(=O)N1CCSC[C@@H]1c1nnn[n-]1	ZINC000907478697	613879188	/nfs/dbraw/zinc/87/91/88/613879188.db2.gz	YFSURCQHEGXXKY-MRVPVSSYSA-N	-1	0	269.330	0.019	20	30		CCEDRM
C=CCOC[C@@H](NC(=O)NC/C=C\Cl)C(=O)[O-]	ZINC000900313885	613881628	/nfs/dbraw/zinc/88/16/28/613881628.db2.gz	RKFWSJDYAOEQAI-TUUFMJSCSA-N	-1	0	262.693	0.694	20	30		CCEDRM
C=CCOC[C@@H](NC(=O)NCCOC(C)(C)C)C(=O)[O-]	ZINC000908908856	613881658	/nfs/dbraw/zinc/88/16/58/613881658.db2.gz	OYXOYXRAOVGKDF-SNVBAGLBSA-N	-1	0	288.344	0.757	20	30		CCEDRM
C=CCOC[C@@H](NC(=O)NC[C@H]1CC1(C)C)C(=O)[O-]	ZINC000908989314	613881660	/nfs/dbraw/zinc/88/16/60/613881660.db2.gz	ODQBLXHSPPLFIM-NXEZZACHSA-N	-1	0	270.329	0.988	20	30		CCEDRM
C=CCOC[C@@H](NC(=O)Cc1cn(C)nc1C)C(=O)[O-]	ZINC000909769902	613881702	/nfs/dbraw/zinc/88/17/02/613881702.db2.gz	BYRMGSUEYWGNRL-LLVKDONJSA-N	-1	0	281.312	0.043	20	30		CCEDRM
C=CCOC[C@@H](NC(=O)c1ccnn1C(C)C)C(=O)[O-]	ZINC000909769930	613881948	/nfs/dbraw/zinc/88/19/48/613881948.db2.gz	CSSLXCGMEHDXLA-SNVBAGLBSA-N	-1	0	281.312	0.850	20	30		CCEDRM
C=CCOC[C@H](NC(=O)C(C)(C)CCOC)C(=O)[O-]	ZINC000909769106	613882281	/nfs/dbraw/zinc/88/22/81/613882281.db2.gz	AFAHTNYHQHGTTC-JTQLQIEISA-N	-1	0	273.329	0.821	20	30		CCEDRM
C=CCOC[C@H](NC(=O)C[C@H](O)CC(C)(C)C)C(=O)[O-]	ZINC000909770300	613882326	/nfs/dbraw/zinc/88/23/26/613882326.db2.gz	DZQMYAFWUOZIOT-QWRGUYRKSA-N	-1	0	287.356	0.946	20	30		CCEDRM
C=CCOC[C@H](NC(=O)CCc1cnn(C)c1C)C(=O)[O-]	ZINC000909771714	613882381	/nfs/dbraw/zinc/88/23/81/613882381.db2.gz	PDOZGSRNEDJGGV-LBPRGKRZSA-N	-1	0	295.339	0.433	20	30		CCEDRM
C=CCOC[C@H](NC(=O)C[C@@H](C)n1ccc(C)n1)C(=O)[O-]	ZINC000909771494	613882385	/nfs/dbraw/zinc/88/23/85/613882385.db2.gz	NQANQQAIUBADMN-NEPJUHHUSA-N	-1	0	295.339	0.915	20	30		CCEDRM
C=CCOC[C@H](NC(=O)[C@@H]1CCO[C@H]1CC)C(=O)[O-]	ZINC000909767863	613882403	/nfs/dbraw/zinc/88/24/03/613882403.db2.gz	RGZNEXSPESYYRJ-VWYCJHECSA-N	-1	0	271.313	0.574	20	30		CCEDRM
C=CCOC[C@H](NC(=O)[C@@H]1C[C@H]1c1cccnc1)C(=O)[O-]	ZINC000909772900	613882559	/nfs/dbraw/zinc/88/25/59/613882559.db2.gz	XUCIHTNCJTWKDA-XQQFMLRXSA-N	-1	0	290.319	0.957	20	30		CCEDRM
C=CCOC[C@H](NC(=O)[C@H]1CCCOCC1)C(=O)[O-]	ZINC000909767784	613882603	/nfs/dbraw/zinc/88/26/03/613882603.db2.gz	QKRJTSKEIHOGBX-QWRGUYRKSA-N	-1	0	271.313	0.575	20	30		CCEDRM
C=CCOC[C@H](NC(=O)c1cnccc1C)C(=O)[O-]	ZINC000909772517	613882633	/nfs/dbraw/zinc/88/26/33/613882633.db2.gz	QZKBVAMMOMVXAX-NSHDSACASA-N	-1	0	264.281	0.776	20	30		CCEDRM
C=CCOC[C@H](NC(=O)[C@H]1CCO[C@H]1C)C(=O)[O-]	ZINC000909772970	613882686	/nfs/dbraw/zinc/88/26/86/613882686.db2.gz	ZCMHPDLAMOJPQF-GUBZILKMSA-N	-1	0	257.286	0.183	20	30		CCEDRM
C=CCONC(=O)N1CC[C@](COC)(C(=O)[O-])C1	ZINC000874403506	613883769	/nfs/dbraw/zinc/88/37/69/613883769.db2.gz	UUJLDIFUDUMFKO-NSHDSACASA-N	-1	0	258.274	0.237	20	30		CCEDRM
C=CCO[N-]C(=O)[C@@](C)(OC)C(=O)OC(C)(C)C	ZINC000854853055	613884383	/nfs/dbraw/zinc/88/43/83/613884383.db2.gz	VJRYZFRTLMQGOB-GFCCVEGCSA-N	-1	0	259.302	0.967	20	30		CCEDRM
C=CCO[N-]C(=O)[C@@H](CO)NC(=O)OC(C)(C)C	ZINC000821891450	613884407	/nfs/dbraw/zinc/88/44/07/613884407.db2.gz	DMHDWNJAOWLUQY-MRVPVSSYSA-N	-1	0	260.290	0.106	20	30		CCEDRM
C=CCO[N-]C(=O)[C@@H]1CCCCN1S(=O)(=O)CCC	ZINC000837045064	613884411	/nfs/dbraw/zinc/88/44/11/613884411.db2.gz	WEPNEVRGQSRLOL-NSHDSACASA-N	-1	0	290.385	0.815	20	30		CCEDRM
C=CCS(=O)(=O)[N-]C(=O)[C@@H]1CCOC2(CCC2)C1	ZINC000892883637	613886234	/nfs/dbraw/zinc/88/62/34/613886234.db2.gz	XQNKGXGSXQLEBO-SNVBAGLBSA-N	-1	0	273.354	0.968	20	30		CCEDRM
CC(C)NC(=O)C(C#N)=C([O-])c1cnn(CCF)c1	ZINC000808979849	613930288	/nfs/dbraw/zinc/93/02/88/613930288.db2.gz	NUSFHOQEJJUZEA-JTQLQIEISA-N	-1	0	266.276	0.700	20	30		CCEDRM
CC(C)NC(=O)C(C#N)=C([O-])c1ncn(C(C)(C)C)n1	ZINC000813060394	613934336	/nfs/dbraw/zinc/93/43/36/613934336.db2.gz	YGXVGGKAROIOJS-SECBINFHSA-N	-1	0	277.328	0.880	20	30		CCEDRM
CC(C)OC[C@@H](C(=O)[O-])N(C)C(=O)c1ccc(C#N)nc1	ZINC000827006808	614025667	/nfs/dbraw/zinc/02/56/67/614025667.db2.gz	PMZULFYPARRGGW-LBPRGKRZSA-N	-1	0	291.307	0.903	20	30		CCEDRM
CC(C)OC[C@H](C(=O)[O-])N(C)C(=O)c1cc(C#N)cn1C	ZINC000827006499	614032765	/nfs/dbraw/zinc/03/27/65/614032765.db2.gz	MORQYZLOXNNHOI-GFCCVEGCSA-N	-1	0	293.323	0.847	20	30		CCEDRM
CC(C)[C@@H](C#N)N1CCN(C(=O)C2(NC(=O)[O-])CC2)CC1	ZINC000824054932	614071728	/nfs/dbraw/zinc/07/17/28/614071728.db2.gz	DWQUAGGFIYKXDJ-LLVKDONJSA-N	-1	0	294.355	0.479	20	30		CCEDRM
CC(C)(CNC(=O)Nc1ccn(CCC#N)n1)NC(=O)[O-]	ZINC000823947492	614102080	/nfs/dbraw/zinc/10/20/80/614102080.db2.gz	VXUQINVAXHPHOP-UHFFFAOYSA-N	-1	0	294.315	0.964	20	30		CCEDRM
CC(C)[C@@H](CO)O[N-]C(=O)[C@]1(C#N)CCCOC1	ZINC000868728649	614104913	/nfs/dbraw/zinc/10/49/13/614104913.db2.gz	ZYAKYZPTNVMKPT-PWSUYJOCSA-N	-1	0	256.302	0.371	20	30		CCEDRM
CC(C)(CNC(=O)[C@]1(C#N)CCCOC1)C(=O)[O-]	ZINC000923063502	614107564	/nfs/dbraw/zinc/10/75/64/614107564.db2.gz	GIGRVLOEYHEJFX-LBPRGKRZSA-N	-1	0	254.286	0.534	20	30		CCEDRM
CC(C)CO[C@@H](C)C(=O)N1CCN(C(=O)[O-])C[C@H]1C#N	ZINC000824267994	614171423	/nfs/dbraw/zinc/17/14/23/614171423.db2.gz	IOHBOIDFGYVUNG-WDEREUQCSA-N	-1	0	283.328	0.762	20	30		CCEDRM
CC(C)[C@H](C#N)N1CCN(C(=O)C[C@H](C)NC(=O)[O-])CC1	ZINC000824592091	614186819	/nfs/dbraw/zinc/18/68/19/614186819.db2.gz	RICHRCHGMXFZKJ-RYUDHWBXSA-N	-1	0	296.371	0.725	20	30		CCEDRM
CC(C)(C#N)CS(=O)(=O)[N-]C(=O)[C@@]1(C)CCCCO1	ZINC000838851426	614287263	/nfs/dbraw/zinc/28/72/63/614287263.db2.gz	GIOYPPZYGCTIMT-GFCCVEGCSA-N	-1	0	288.369	0.941	20	30		CCEDRM
CC(C)(C#N)CS(=O)(=O)[N-]C(=O)[C@@H]1CCC(=O)C1	ZINC000842752362	614287634	/nfs/dbraw/zinc/28/76/34/614287634.db2.gz	MLAZLPNWLRETPP-MRVPVSSYSA-N	-1	0	272.326	0.351	20	30		CCEDRM
CC(C)(C#N)CS(=O)(=O)N[C@@H](CC(=O)[O-])C1CC1	ZINC000833414331	614288037	/nfs/dbraw/zinc/28/80/37/614288037.db2.gz	ZFSUQLVELOEWSR-VIFPVBQESA-N	-1	0	274.342	0.709	20	30		CCEDRM
CC(C)c1nc(S(=O)(=O)[N-]C(=O)[C@@H](C)CC#N)cn1C	ZINC000851079635	614321957	/nfs/dbraw/zinc/32/19/57/614321957.db2.gz	NIMQJYWKXBZNPX-VIFPVBQESA-N	-1	0	298.368	0.898	20	30		CCEDRM
CC(CC1(C(=O)[O-])CCC1)=NN[C@H]1CCS(=O)(=O)C1	ZINC000814680212	614378492	/nfs/dbraw/zinc/37/84/92/614378492.db2.gz	GBQHUMJSIGCZEJ-JTQLQIEISA-N	-1	0	288.369	0.784	20	30		CCEDRM
CCCN(C)S(=O)(=O)[N-]C(=O)Cc1ccc(C#N)nc1	ZINC000860599760	614523942	/nfs/dbraw/zinc/52/39/42/614523942.db2.gz	SCPDMMKABFMREX-UHFFFAOYSA-N	-1	0	296.352	0.199	20	30		CCEDRM
CCCN(C)S(=O)(=O)[N-]C(=O)c1ccc(C#N)n1C	ZINC000835219310	614525081	/nfs/dbraw/zinc/52/50/81/614525081.db2.gz	FPBMCUHUQDNPLJ-UHFFFAOYSA-N	-1	0	284.341	0.213	20	30		CCEDRM
CC1(C)CCCC[C@@H]1NN=C1C(=O)[N-]C(=O)NC1=O	ZINC000814227846	614526230	/nfs/dbraw/zinc/52/62/30/614526230.db2.gz	OAPVCJGZIZKQLH-ZETCQYMHSA-N	-1	0	266.301	0.267	20	30		CCEDRM
CCC(CC)[C@H](O)CNC(=O)[C@](C)(C#N)CC(=O)[O-]	ZINC000820272892	614578865	/nfs/dbraw/zinc/57/88/65/614578865.db2.gz	NHQUKZSBTPTOQE-MFKMUULPSA-N	-1	0	270.329	0.904	20	30		CCEDRM
CC1(C)OCC(C)(C(=O)N(CC#N)CC(=O)[O-])CO1	ZINC000833562131	614809396	/nfs/dbraw/zinc/80/93/96/614809396.db2.gz	JGNWXPRDRIGUBG-UHFFFAOYSA-N	-1	0	270.285	0.212	20	30		CCEDRM
CCCNC(=O)COC(=O)[C@](C)(C#N)CC(=O)[O-]	ZINC000820321353	614859219	/nfs/dbraw/zinc/85/92/19/614859219.db2.gz	YOCBNOPABLLSMV-NSHDSACASA-N	-1	0	256.258	0.060	20	30		CCEDRM
CCCNC(=O)c1cccc(C([O-])=C(C#N)C(=O)NC)c1	ZINC000122319866	614875706	/nfs/dbraw/zinc/87/57/06/614875706.db2.gz	NJUZLWMUUQHHSK-GFCCVEGCSA-N	-1	0	287.319	0.895	20	30		CCEDRM
CCCCCCCNC(=O)C(=O)NCCC(=O)[O-]	ZINC000861717492	614901917	/nfs/dbraw/zinc/90/19/17/614901917.db2.gz	FCTVFDSAVBHPIF-UHFFFAOYSA-N	-1	0	258.318	0.664	20	30		CCEDRM
CCCCCNC(=O)C(C#N)=C([O-])c1c[nH]c(C(N)=O)c1	ZINC000917424503	614923900	/nfs/dbraw/zinc/92/39/00/614923900.db2.gz	DGLRUTDJKPLGEE-SNVBAGLBSA-N	-1	0	290.323	0.742	20	30		CCEDRM
CCN(CC)C(=O)CCCC(=O)N[C@H]1CCN(O)C1=O	ZINC000816693696	614962674	/nfs/dbraw/zinc/96/26/74/614962674.db2.gz	QJISARQVUPAFLO-JTQLQIEISA-N	-1	0	285.344	0.131	20	30		CCEDRM
CC1=CC(=O)C(=C([O-])C=Cc2cnccn2)C(=O)O1	ZINC000809152274	614968606	/nfs/dbraw/zinc/96/86/06/614968606.db2.gz	PCQUDYXVEWGUPO-JDGPPOGSSA-N	-1	0	258.233	0.705	20	30		CCEDRM
CCC[C@@H](C#N)NC(=O)[C@H]1CN(C(=O)[O-])CCO1	ZINC000826706934	614971407	/nfs/dbraw/zinc/97/14/07/614971407.db2.gz	UQPSLQHQXAFCML-DTWKUNHWSA-N	-1	0	255.274	0.174	20	30		CCEDRM
C[C@H](NC(=O)[O-])[C@@H]1CN(C(=O)C2(C#N)CC(C)C2)CCO1	ZINC000825783292	615011032	/nfs/dbraw/zinc/01/10/32/615011032.db2.gz	FXIOWGGBEJIKSS-JXJNQWLDSA-N	-1	0	295.339	0.810	20	30		CCEDRM
CCN(CCC#N)C(=O)CN1CC[C@@H](N(C)C(=O)[O-])C1	ZINC000827111687	615021106	/nfs/dbraw/zinc/02/11/06/615021106.db2.gz	QNYVLZFSWWWWDA-LLVKDONJSA-N	-1	0	282.344	0.433	20	30		CCEDRM
CCN(CCC#N)C(=O)CN(C)[C@H]1CCN(C(=O)[O-])C1	ZINC000827112108	615021488	/nfs/dbraw/zinc/02/14/88/615021488.db2.gz	WIPJNAOADLBZST-NSHDSACASA-N	-1	0	282.344	0.433	20	30		CCEDRM
CCC[C@H](CNC(=O)[C@]1(C#N)CCCOC1)C(=O)[O-]	ZINC000923080953	615043418	/nfs/dbraw/zinc/04/34/18/615043418.db2.gz	KVXSLPYRYRENQG-MFKMUULPSA-N	-1	0	268.313	0.924	20	30		CCEDRM
CCN(C[C@@H](C)C#N)C(=O)CN(CC(=O)[O-])C(C)C	ZINC000820332929	615061568	/nfs/dbraw/zinc/06/15/68/615061568.db2.gz	NCVSAAQZQJCYTL-NSHDSACASA-N	-1	0	269.345	0.790	20	30		CCEDRM
CCN(C[C@@H](C)C#N)C(=O)[C@H]1CN(C(=O)[O-])CCO1	ZINC000827019799	615061925	/nfs/dbraw/zinc/06/19/25/615061925.db2.gz	DNCQBWBNFXTJIJ-VHSXEESVSA-N	-1	0	269.301	0.373	20	30		CCEDRM
CCOC(=O)CCNC(=O)[C@](C)(C#N)CC(=O)[O-]	ZINC000820364553	615179578	/nfs/dbraw/zinc/17/95/78/615179578.db2.gz	LHJORWHBKUDORR-NSHDSACASA-N	-1	0	256.258	0.060	20	30		CCEDRM
CCOC(C)(C)C(=O)[N-]S(=O)(=O)CC1(C#N)CCC1	ZINC000870297905	615197172	/nfs/dbraw/zinc/19/71/72/615197172.db2.gz	UVCTYOBMEUVJOQ-UHFFFAOYSA-N	-1	0	288.369	0.941	20	30		CCEDRM
CCO[N-]C(=O)CNC(=O)N[C@@H](C)c1ccc(C#N)cc1	ZINC000844520787	615365081	/nfs/dbraw/zinc/36/50/81/615365081.db2.gz	ZYDYFCSNCIVAKN-JTQLQIEISA-N	-1	0	290.323	0.986	20	30		CCEDRM
CC[C@@H](C#N)OC(=O)c1ccc(-c2nn[nH]n2)nc1	ZINC000820843393	615366867	/nfs/dbraw/zinc/36/68/67/615366867.db2.gz	XJUDXNQAOVADFU-QMMMGPOBSA-N	-1	0	258.241	0.721	20	30		CCEDRM
CCO[N-]C(=O)CNC(=O)[C@@H](C)Cc1ccc(C#N)cc1	ZINC000848243128	615368005	/nfs/dbraw/zinc/36/80/05/615368005.db2.gz	UFWBNDOBQVFQEI-NSHDSACASA-N	-1	0	289.335	0.921	20	30		CCEDRM
CCO[N-]C(=O)CNC(=O)c1cc(C#N)ccc1C	ZINC000824003480	615370717	/nfs/dbraw/zinc/37/07/17/615370717.db2.gz	AQNLYHZLXUFBCH-UHFFFAOYSA-N	-1	0	261.281	0.664	20	30		CCEDRM
CCO[C@@H](C)C(=O)N1CCN(C(=O)[O-])C[C@@H]1C#N	ZINC000827362030	615399240	/nfs/dbraw/zinc/39/92/40/615399240.db2.gz	MDNXOVGIODLRLC-IUCAKERBSA-N	-1	0	255.274	0.126	20	30		CCEDRM
CCOC(=O)c1cc(C=NN[C@H](CC)C(=O)[O-])[nH]n1	ZINC000842533689	615401964	/nfs/dbraw/zinc/40/19/64/615401964.db2.gz	VKXFBMSGHTZIHH-MRVPVSSYSA-N	-1	0	268.273	0.373	20	30		CCEDRM
CCO[C@H](C(=O)[N-]S(=O)(=O)CC1(C#N)CC1)C1CC1	ZINC000860649926	615471754	/nfs/dbraw/zinc/47/17/54/615471754.db2.gz	RLRWXWFFLSLUCP-JTQLQIEISA-N	-1	0	286.353	0.551	20	30		CCEDRM
CCO[C@H]1C[C@H]1C(=O)[N-]S(=O)(=O)CC1(C#N)CC1	ZINC000793205099	615496859	/nfs/dbraw/zinc/49/68/59/615496859.db2.gz	WLJDKYVAINXRRG-BDAKNGLRSA-N	-1	0	272.326	0.161	20	30		CCEDRM
CC[C@@H](NC(=O)C(=O)Nc1ccc(F)cc1C#N)C(=O)[O-]	ZINC000818266740	615524714	/nfs/dbraw/zinc/52/47/14/615524714.db2.gz	YPRXLKJBCWNUMV-SECBINFHSA-N	-1	0	293.254	0.615	20	30		CCEDRM
CCOc1nnc(CN2CCN(C(=O)[O-])C[C@H]2C#N)s1	ZINC000827472544	615527095	/nfs/dbraw/zinc/52/70/95/615527095.db2.gz	VQASZLFKHIWOIJ-MRVPVSSYSA-N	-1	0	297.340	0.625	20	30		CCEDRM
CC[C@@H](NN=Cc1cccc(S(C)(=O)=O)c1)C(=O)[O-]	ZINC000834981710	615536405	/nfs/dbraw/zinc/53/64/05/615536405.db2.gz	XJGWZCBARXXFST-LLVKDONJSA-N	-1	0	284.337	0.877	20	30		CCEDRM
CCc1c(C(=O)[N-]S(=O)(=O)CC2(C#N)CC2)cnn1C	ZINC000793196573	615604433	/nfs/dbraw/zinc/60/44/33/615604433.db2.gz	XDBLELMEUHJNQA-UHFFFAOYSA-N	-1	0	296.352	0.346	20	30		CCEDRM
CCc1cc(NC(=O)[C@](C)(C#N)CC(=O)[O-])n[nH]1	ZINC000820474534	615657858	/nfs/dbraw/zinc/65/78/58/615657858.db2.gz	ZMJCZHRITCTNQU-NSHDSACASA-N	-1	0	250.258	0.915	20	30		CCEDRM
CCc1ccc(CNC(=O)CN(CC#N)CC(=O)[O-])s1	ZINC000830250267	615674148	/nfs/dbraw/zinc/67/41/48/615674148.db2.gz	ZUEYISNZZXIWAN-UHFFFAOYSA-N	-1	0	295.364	0.837	20	30		CCEDRM
CC[C@H](C)[C@H](NC(=O)CN(C)[C@H](C)CC#N)C(=O)[O-]	ZINC000828709756	615692045	/nfs/dbraw/zinc/69/20/45/615692045.db2.gz	SWEQIUMOSUCSTK-UMNHJUIQSA-N	-1	0	269.345	0.836	20	30		CCEDRM
CC[C@H](CNS(=O)(=O)N(CC)C[C@H](C)C#N)C(=O)[O-]	ZINC000844785664	615726592	/nfs/dbraw/zinc/72/65/92/615726592.db2.gz	NNJNVTVFGMEWFR-NXEZZACHSA-N	-1	0	291.373	0.413	20	30		CCEDRM
CC[C@H](CNS(=O)(=O)N(C)[C@@H](C)CC#N)C(=O)[O-]	ZINC000844783842	615726637	/nfs/dbraw/zinc/72/66/37/615726637.db2.gz	GGMBEUZKQGXPBF-DTWKUNHWSA-N	-1	0	277.346	0.166	20	30		CCEDRM
CC[C@H](CS(=O)(=O)[N-]c1ccncc1C#N)OC	ZINC000903150651	615744343	/nfs/dbraw/zinc/74/43/43/615744343.db2.gz	WFFKUEYWFDQTMQ-SNVBAGLBSA-N	-1	0	269.326	0.542	20	30		CCEDRM
CC[C@H](NN=Cc1cccc(S(C)(=O)=O)c1)C(=O)[O-]	ZINC000834981711	615819634	/nfs/dbraw/zinc/81/96/34/615819634.db2.gz	XJGWZCBARXXFST-NSHDSACASA-N	-1	0	284.337	0.877	20	30		CCEDRM
CCc1noc(C)c1C(=O)N1CCN(C(=O)[O-])C[C@@H]1C#N	ZINC000827663260	615830639	/nfs/dbraw/zinc/83/06/39/615830639.db2.gz	LCIWOXCIXAMJOY-VIFPVBQESA-N	-1	0	292.295	0.873	20	30		CCEDRM
CN(C(=O)c1cc(C(=O)[O-])nn1C)[C@H]1CCC[C@H]1C#N	ZINC000864056944	615894242	/nfs/dbraw/zinc/89/42/42/615894242.db2.gz	FTEHBPCHYKBCSW-WPRPVWTQSA-N	-1	0	276.296	0.883	20	30		CCEDRM
CN(C(=O)c1ccc(C#N)cn1)[C@@H]1CCN(C(=O)[O-])C1	ZINC000827933499	615900933	/nfs/dbraw/zinc/90/09/33/615900933.db2.gz	YEWUMBXOCFXBKX-SNVBAGLBSA-N	-1	0	274.280	0.778	20	30		CCEDRM
CCn1[n-]nnc1=NC(=O)N(C)[C@H]1CCC[C@H]1C#N	ZINC000888319590	615910595	/nfs/dbraw/zinc/91/05/95/615910595.db2.gz	GXVSSNBEVRCDNA-IUCAKERBSA-N	-1	0	263.305	0.271	20	30		CCEDRM
CCn1[n-]nnc1=NC(=O)N1Cc2cccc(C#N)c2C1	ZINC000888323032	615912681	/nfs/dbraw/zinc/91/26/81/615912681.db2.gz	QVLTZGVHQRBDTB-UHFFFAOYSA-N	-1	0	283.295	0.534	20	30		CCEDRM
CCn1cc(C=CC([O-])=C2C(=O)C=C(C)OC2=O)nn1	ZINC000899336157	615929800	/nfs/dbraw/zinc/92/98/00/615929800.db2.gz	PHVNRFUISJGKDC-RXNFCKPNSA-N	-1	0	275.264	0.526	20	30		CCEDRM
CN(C)C(=O)OCCNS(=O)(=O)c1ccc(C#N)o1	ZINC000849445986	615991275	/nfs/dbraw/zinc/99/12/75/615991275.db2.gz	HCDVCRZOZQPUSM-UHFFFAOYSA-N	-1	0	287.297	0.128	20	30		CCEDRM
CN(C)c1ccc(C=Nn2c(=O)[n-][nH]c2=O)s1	ZINC000814231497	616014003	/nfs/dbraw/zinc/01/40/03/616014003.db2.gz	HISGUGBKCUYVQY-UHFFFAOYSA-N	-1	0	253.287	0.699	20	30		CCEDRM
CN(C)c1ncc(CNC(=O)[C@](C)(C#N)CC(=O)[O-])n1C	ZINC000820554196	616036179	/nfs/dbraw/zinc/03/61/79/616036179.db2.gz	IIPTXLILQCGGOC-ZDUSSCGKSA-N	-1	0	293.327	0.107	20	30		CCEDRM
CN(CC(=O)[O-])c1ncnc2c1cnn2CCC#N	ZINC000820574277	616050024	/nfs/dbraw/zinc/05/00/24/616050024.db2.gz	MHRORQAWPRFXIL-UHFFFAOYSA-N	-1	0	260.257	0.261	20	30		CCEDRM
CN(CC1CC1)C(=O)COC(=O)[C@](C)(C#N)CC(=O)[O-]	ZINC000820574160	616058607	/nfs/dbraw/zinc/05/86/07/616058607.db2.gz	DQKLCGRGIIWEEM-ZDUSSCGKSA-N	-1	0	282.296	0.403	20	30		CCEDRM
CN(CCNS(=O)(=O)c1ccccc1C#N)C(=O)[O-]	ZINC000833872777	616096746	/nfs/dbraw/zinc/09/67/46/616096746.db2.gz	PINXXJFMTDLBFW-UHFFFAOYSA-N	-1	0	283.309	0.446	20	30		CCEDRM
CN([C@@H]1CCN(C(=O)[O-])C1)S(=O)(=O)CCCCC#N	ZINC000828085800	616114731	/nfs/dbraw/zinc/11/47/31/616114731.db2.gz	KHVSHCNWWFAQLJ-SNVBAGLBSA-N	-1	0	289.357	0.694	20	30		CCEDRM
CN1C(=O)CCC[C@@H]1C(=O)[N-]Oc1cccc(C#N)c1	ZINC000913667116	616122758	/nfs/dbraw/zinc/12/27/58/616122758.db2.gz	VZLUCILJCUKXON-GFCCVEGCSA-N	-1	0	273.292	0.979	20	30		CCEDRM
COC(=O)/C(C)=C\COC(=O)[C@@](C)(C#N)CC(=O)[O-]	ZINC000820653356	616305844	/nfs/dbraw/zinc/30/58/44/616305844.db2.gz	FSUHRLMJEJJJST-HXUAIIEXSA-N	-1	0	269.253	0.653	20	30		CCEDRM
COC1(CNC(=O)[C@@](C)(C#N)CC(=O)[O-])CCC1	ZINC000820702726	616452405	/nfs/dbraw/zinc/45/24/05/616452405.db2.gz	BVAODIIMIJPQOK-LLVKDONJSA-N	-1	0	254.286	0.676	20	30		CCEDRM
COCCNC(=O)C(C#N)=C([O-])c1c(Cl)cnn1C	ZINC000850757869	616496617	/nfs/dbraw/zinc/49/66/17/616496617.db2.gz	SKLMWKFNTZCQQX-SSDOTTSWSA-N	-1	0	284.703	0.159	20	30		CCEDRM
COCCNC(=O)C(C#N)=C([O-])c1ncoc1C1CC1	ZINC000815906895	616496701	/nfs/dbraw/zinc/49/67/01/616496701.db2.gz	LZCZVJJNNVISKZ-SECBINFHSA-N	-1	0	277.280	0.637	20	30		CCEDRM
CNC(=O)C1CCC(NC(=O)[C@@](C)(C#N)CC(=O)[O-])CC1	ZINC000820631424	616552013	/nfs/dbraw/zinc/55/20/13/616552013.db2.gz	VIEZUTKRQKEBGT-RPFQZYLTSA-N	-1	0	295.339	0.412	20	30		CCEDRM
COC(=O)CCS(=O)(=O)[N-]C(=O)c1cccc(C#N)c1	ZINC000821597284	616567550	/nfs/dbraw/zinc/56/75/50/616567550.db2.gz	NCYBYKLESXRSHJ-UHFFFAOYSA-N	-1	0	296.304	0.181	20	30		CCEDRM
COC[C@H](C)S(=O)(=O)N1CCC[C@H](C#CC(=O)[O-])C1	ZINC000899926549	616628049	/nfs/dbraw/zinc/62/80/49/616628049.db2.gz	NLSRQQAWLKLSOS-WDEREUQCSA-N	-1	0	289.353	0.151	20	30		CCEDRM
COCC1(C(=O)[N-]S(=O)(=O)CCC#N)CCCCC1	ZINC000857026127	616749884	/nfs/dbraw/zinc/74/98/84/616749884.db2.gz	BTHWPNAPYSRGNC-UHFFFAOYSA-N	-1	0	288.369	0.943	20	30		CCEDRM
CNC(=O)C(C#N)=C([O-])c1ccc(OCC(=O)OC)cc1	ZINC000918489755	616777141	/nfs/dbraw/zinc/77/71/41/616777141.db2.gz	NHLDNIJYBLLBEB-NSHDSACASA-N	-1	0	290.275	0.307	20	30		CCEDRM
CNC(=O)C(C#N)=C([O-])c1cn2c(n1)C[C@@H](C)CC2	ZINC000870154384	616778018	/nfs/dbraw/zinc/77/80/18/616778018.db2.gz	KKPXOXSMGNHBFN-IUCAKERBSA-N	-1	0	260.297	0.534	20	30		CCEDRM
COC[C@](C)(C#N)NC(=O)CC1CCN(C(=O)[O-])CC1	ZINC000828885610	616816319	/nfs/dbraw/zinc/81/63/19/616816319.db2.gz	JBSPQYNNGBBKFD-ZDUSSCGKSA-N	-1	0	283.328	0.811	20	30		CCEDRM
COC[C@](C)(C#N)NC(=O)c1csc(CNC(=O)[O-])n1	ZINC000828885905	616817130	/nfs/dbraw/zinc/81/71/30/616817130.db2.gz	PVZLVIQQRRPXND-NSHDSACASA-N	-1	0	298.324	0.569	20	30		CCEDRM
COC[C@@H](C)S(=O)(=O)[N-]C(=O)c1cccc(C#N)n1	ZINC000810585330	616838842	/nfs/dbraw/zinc/83/88/42/616838842.db2.gz	RHVXRADCWKAJAM-MRVPVSSYSA-N	-1	0	283.309	0.048	20	30		CCEDRM
COC[C@]1(C(=O)[O-])CCN(c2c(C#N)cnn2C)C1	ZINC000900964495	616858298	/nfs/dbraw/zinc/85/82/98/616858298.db2.gz	HOSCPFIEXRKUAB-LBPRGKRZSA-N	-1	0	264.285	0.219	20	30		CCEDRM
COC[C@@H](NC(=O)[C@](C)(C#N)CC(=O)[O-])C(C)C	ZINC000820710583	616894464	/nfs/dbraw/zinc/89/44/64/616894464.db2.gz	POKUGJDZYFCDNS-SKDRFNHKSA-N	-1	0	256.302	0.778	20	30		CCEDRM
COCCCNC(=S)NN=Cc1cc(C(=O)[O-])co1	ZINC000901138739	616906018	/nfs/dbraw/zinc/90/60/18/616906018.db2.gz	SBYLUHNIYWFNMD-UHFFFAOYSA-N	-1	0	285.325	0.812	20	30		CCEDRM
CNC(=S)NN=C(C)C[C@H]1CCCN1C(=O)[O-]	ZINC000828572359	616930601	/nfs/dbraw/zinc/93/06/01/616930601.db2.gz	BTLLOTJVCNYEOU-MRVPVSSYSA-N	-1	0	258.347	0.989	20	30		CCEDRM
CNC(=S)NN=Cc1ccc(-c2nn[nH]n2)cc1F	ZINC000821636686	616932008	/nfs/dbraw/zinc/93/20/08/616932008.db2.gz	YXDGPXDMHPXOTA-UHFFFAOYSA-N	-1	0	279.304	0.434	20	30		CCEDRM
COCCN(CC(=O)[O-])C(=O)c1ccc(C#N)c(OC)c1	ZINC000851694253	616982951	/nfs/dbraw/zinc/98/29/51/616982951.db2.gz	YHXDTSBKUJNNHD-UHFFFAOYSA-N	-1	0	292.291	0.740	20	30		CCEDRM
COCCN(CCC#N)C(=O)[C@]1(F)CCN(C(=O)[O-])C1	ZINC000828980213	616992188	/nfs/dbraw/zinc/99/21/88/616992188.db2.gz	XPXXOXXHUFOCRM-LBPRGKRZSA-N	-1	0	287.291	0.467	20	30		CCEDRM
CO[C@H](C(=O)[O-])C(=O)N[C@@H](C)c1cccc(C#N)c1	ZINC000902728934	616994236	/nfs/dbraw/zinc/99/42/36/616994236.db2.gz	CNWCGIJEXBZPCE-KWQFWETISA-N	-1	0	262.265	0.835	20	30		CCEDRM
COC[C@@]1(C(=O)[O-])CCN(C(=O)C2(C#N)CCC2)C1	ZINC000902306455	617036628	/nfs/dbraw/zinc/03/66/28/617036628.db2.gz	NECDTEVYRZSKKP-CYBMUJFWSA-N	-1	0	266.297	0.630	20	30		CCEDRM
CON=C(C(=O)[N-]OCC1CC1)c1csc(N)n1	ZINC000823145004	617102779	/nfs/dbraw/zinc/10/27/79/617102779.db2.gz	NHVIEGSVLQGWMC-UHFFFAOYSA-N	-1	0	270.314	0.534	20	30		CCEDRM
C#C[C@H](C)NS(=O)(=O)c1c(C)oc(C)c1C(=O)[O-]	ZINC000158967122	623062369	/nfs/dbraw/zinc/06/23/69/623062369.db2.gz	UBGBGGDAWRJWES-LURJTMIESA-N	-1	0	271.294	0.895	20	30		CCEDRM
C#CC[C@@H](NC(=O)c1cc(C)nnc1CC)C(=O)[O-]	ZINC000229168273	623081415	/nfs/dbraw/zinc/08/14/15/623081415.db2.gz	OWIQEFLTUJVTDK-LLVKDONJSA-N	-1	0	261.281	0.554	20	30		CCEDRM
N#Cc1ccc(CS(=O)(=O)[N-]C(=O)COC2CC2)cc1	ZINC000892412009	623180568	/nfs/dbraw/zinc/18/05/68/623180568.db2.gz	TXLAAKOGQJUECQ-UHFFFAOYSA-N	-1	0	294.332	0.683	20	30		CCEDRM
Cc1cnc2c(C([O-])=C(C#N)C(=O)N3CCCC3)cnn2c1	ZINC000892458230	623289031	/nfs/dbraw/zinc/28/90/31/623289031.db2.gz	VTQFKGXWTUBRHB-LLVKDONJSA-N	-1	0	297.318	0.983	20	30		CCEDRM
C#CCSCCNC(=O)N[C@@H](CC1CC1)C(=O)[O-]	ZINC000310996690	623615120	/nfs/dbraw/zinc/61/51/20/623615120.db2.gz	MWVQFHXIAJDVCD-JTQLQIEISA-N	-1	0	270.354	0.905	20	30		CCEDRM
N#CC[C@H](NC(=O)CSCC(=O)[O-])C(F)(F)F	ZINC000905129513	634805141	/nfs/dbraw/zinc/80/51/41/634805141.db2.gz	GGPFZHIBAHEWAE-YFKPBYRVSA-N	-1	0	270.232	0.765	20	30		CCEDRM
CNC(=O)C(C#N)=C([O-])c1nnn(-c2ccc(C)cc2)c1C	ZINC000125681713	630859514	/nfs/dbraw/zinc/85/95/14/630859514.db2.gz	YBYCEBNUSXZONW-GFCCVEGCSA-N	-1	0	297.318	0.953	20	30		CCEDRM
C[C@@H](Sc1nnnn1C1CC1)C(=O)[N-]S(C)(=O)=O	ZINC000048761636	631802054	/nfs/dbraw/zinc/80/20/54/631802054.db2.gz	LNUSNBJEXUJXEE-RXMQYKEDSA-N	-1	0	291.358	0.405	20	30		CCEDRM
N#CCN1CCC[C@@H](NC(=O)c2ncccc2O)C1	ZINC001007192993	650070625	/nfs/dbraw/zinc/07/06/25/650070625.db2.gz	YWPJDOIIOARZBA-SNVBAGLBSA-N	-1	0	260.297	0.505	20	30		CCEDRM
C[C@@H]1C[C@H](C(=O)[N-]S(=O)(=O)CCC#N)[C@H](C)O1	ZINC000870350380	632486739	/nfs/dbraw/zinc/48/67/39/632486739.db2.gz	BPKYABXGYYAGAK-VGMNWLOBSA-N	-1	0	260.315	0.160	20	30		CCEDRM
C=CCC[C@H](NC(=O)[C@H]1CCCCS1(=O)=O)C(=O)[O-]	ZINC000262986494	632786210	/nfs/dbraw/zinc/78/62/10/632786210.db2.gz	UUQKNBWZKSGCFU-VHSXEESVSA-N	-1	0	289.353	0.489	20	30		CCEDRM
C=CCOC[C@@H](NC(=O)c1cnn(CCC)c1)C(=O)[O-]	ZINC000263013809	632791682	/nfs/dbraw/zinc/79/16/82/632791682.db2.gz	NGVLZRLBAYIOHJ-LLVKDONJSA-N	-1	0	281.312	0.679	20	30		CCEDRM
O=C([O-])C#C[C@H]1CCCN(S(=O)(=O)c2cccnc2)C1	ZINC000899927510	633923195	/nfs/dbraw/zinc/92/31/95/633923195.db2.gz	WNRDXYKWZWKXLS-LLVKDONJSA-N	-1	0	294.332	0.570	20	30		CCEDRM
O=C([O-])C#C[C@H]1CCCN(S(=O)(=O)C(F)F)C1	ZINC000899926555	633923257	/nfs/dbraw/zinc/92/32/57/633923257.db2.gz	NRKFPGXHICHEHN-SSDOTTSWSA-N	-1	0	267.253	0.339	20	30		CCEDRM
N#Cc1sccc1S(=O)(=O)N1C[C@H]2[C@H](C(=O)[O-])[C@H]2C1	ZINC000899938422	633925297	/nfs/dbraw/zinc/92/52/97/633925297.db2.gz	JTGSGIVMGHSWAR-MTBHXBHISA-N	-1	0	298.345	0.571	20	30		CCEDRM
Cn1ncc(C(=O)[O-])c1C=Nn1nnc2c1CCCC2	ZINC000901328489	634228673	/nfs/dbraw/zinc/22/86/73/634228673.db2.gz	GIKOTEFRSMUNKZ-UHFFFAOYSA-N	-1	0	274.284	0.471	20	30		CCEDRM
N#CC[C@@H]([N-]S(=O)(=O)C[C@H]1CCCO1)C(F)(F)F	ZINC000901771962	634276182	/nfs/dbraw/zinc/27/61/82/634276182.db2.gz	IPZMEHHYMMCEDJ-HTQZYQBOSA-N	-1	0	286.275	0.929	20	30		CCEDRM
N#CCc1ccc(C(=O)N=c2nn[n-]n2C2CC2)cc1	ZINC000905841830	634910314	/nfs/dbraw/zinc/91/03/14/634910314.db2.gz	IIDVIOCXZKLBPL-UHFFFAOYSA-N	-1	0	268.280	0.748	20	30		CCEDRM
N#Cc1ccc(C(=O)N=c2nn[n-]n2C2CC2)s1	ZINC000905842692	634910663	/nfs/dbraw/zinc/91/06/63/634910663.db2.gz	ZIUJXJYYBOKZPH-UHFFFAOYSA-N	-1	0	260.282	0.615	20	30		CCEDRM
CCC[C@@H](C#N)[N-]S(=O)(=O)N=[S@](C)(=O)CC	ZINC000906061406	634955340	/nfs/dbraw/zinc/95/53/40/634955340.db2.gz	RGHXZRMXPVNDBS-VXJOIVPMSA-N	-1	0	267.376	0.631	20	30		CCEDRM
N#CC1(C(=O)NC[C@H]2C[C@H]2C(=O)[O-])CCSCC1	ZINC000907762947	635200918	/nfs/dbraw/zinc/20/09/18/635200918.db2.gz	KIVVFVSXNNUQSG-RKDXNWHRSA-N	-1	0	268.338	0.860	20	30		CCEDRM
C#Cc1cncc(C(=O)N2CC[C@H](C(=O)[O-])[C@@H]2C)c1	ZINC000909810139	635620794	/nfs/dbraw/zinc/62/07/94/635620794.db2.gz	VOLYQJLCAWRPSE-CABZTGNLSA-N	-1	0	258.277	0.998	20	30		CCEDRM
Cc1cc(C(=O)NCC#CCO)cc(C)c1OCC(=O)[O-]	ZINC000911401958	636254431	/nfs/dbraw/zinc/25/44/31/636254431.db2.gz	QPIGCWHOAJGSDH-UHFFFAOYSA-N	-1	0	291.303	0.492	20	30		CCEDRM
C#CCSCCNC(=O)Cn1cc(C(=O)[O-])cn1	ZINC000911425035	636265769	/nfs/dbraw/zinc/26/57/69/636265769.db2.gz	WKQORIALUBTHSO-UHFFFAOYSA-N	-1	0	267.310	0.064	20	30		CCEDRM
C[C@@H]1C(=O)N([N-]C(=O)c2sccc2CC#N)C(=O)N1C	ZINC000912817651	636684047	/nfs/dbraw/zinc/68/40/47/636684047.db2.gz	ZQXUAZOVGQRZMO-SSDOTTSWSA-N	-1	0	292.320	0.741	20	30		CCEDRM
C[C@H](CN(C)S(=O)(=O)c1ccc(C#N)s1)C(=O)[O-]	ZINC000230324288	637165574	/nfs/dbraw/zinc/16/55/74/637165574.db2.gz	NXGHOCDUKNXFPU-SSDOTTSWSA-N	-1	0	288.350	0.961	20	30		CCEDRM
O=[N+]([O-])c1cc(C=NN2CCOCC2)ccc1[O-]	ZINC000916289796	637895278	/nfs/dbraw/zinc/89/52/78/637895278.db2.gz	NYFQFQLXOVCUBB-UHFFFAOYSA-N	-1	0	251.242	0.967	20	30		CCEDRM
N#CCCCS(=O)(=O)[N-]C(=O)c1cccc(C#N)c1	ZINC000181261950	638326871	/nfs/dbraw/zinc/32/68/71/638326871.db2.gz	YBXANBIOIRHUGU-UHFFFAOYSA-N	-1	0	277.305	0.922	20	30		CCEDRM
C[C@@H](CNS(=O)(=O)c1cccc(F)c1C#N)C(=O)[O-]	ZINC000070394003	638482754	/nfs/dbraw/zinc/48/27/54/638482754.db2.gz	LRDXEDQCVYFDTR-ZETCQYMHSA-N	-1	0	286.284	0.696	20	30		CCEDRM
CS[C@@H](C)C(=O)[N-]S(=O)(=O)c1cnn(C)c1	ZINC000069642929	639654369	/nfs/dbraw/zinc/65/43/69/639654369.db2.gz	DNLSOXWMIAZHCP-LURJTMIESA-N	-1	0	263.344	0.817	20	30		CCEDRM
N#C[C@@]1(C(=O)NC[C@@H](CC2CC2)C(=O)[O-])CCCOC1	ZINC000923086375	640019015	/nfs/dbraw/zinc/01/90/15/640019015.db2.gz	KZRIGZUGCAHILN-RISCZKNCSA-N	-1	0	280.324	0.924	20	30		CCEDRM
C[C@@H]1CN(C(=O)C2(C#N)CCC2)C[C@H](C(=O)[O-])O1	ZINC000923085034	640019117	/nfs/dbraw/zinc/01/91/17/640019117.db2.gz	BPTSBPNAUWFFCL-RKDXNWHRSA-N	-1	0	252.270	0.381	20	30		CCEDRM
Cc1cc(C(=O)[N-]S(=O)(=O)N2CCCC2)ncc1C#N	ZINC000838791593	640273191	/nfs/dbraw/zinc/27/31/91/640273191.db2.gz	UKLVWUHZCQXFEH-UHFFFAOYSA-N	-1	0	294.336	0.332	20	30		CCEDRM
C[C@@H](C(=O)[N-]S(=O)(=O)C1CCCC1)n1cnc(C#N)n1	ZINC000798837353	640530425	/nfs/dbraw/zinc/53/04/25/640530425.db2.gz	AFDABWLIDWRIES-QMMMGPOBSA-N	-1	0	297.340	0.099	20	30		CCEDRM
C[C@H](C(=O)[N-]OCc1ccccc1)n1cnc(C#N)n1	ZINC000798844554	640531902	/nfs/dbraw/zinc/53/19/02/640531902.db2.gz	AQXPFMOHRIBUTJ-SNVBAGLBSA-N	-1	0	271.280	0.959	20	30		CCEDRM
C[C@@H]1C[C@H](C)[C@@H](C(=O)[N-]S(=O)(=O)CC(C)(C)C#N)O1	ZINC000800403497	640611629	/nfs/dbraw/zinc/61/16/29/640611629.db2.gz	KUTNTDSNMTVMMY-AEJSXWLSSA-N	-1	0	288.369	0.796	20	30		CCEDRM
Cc1cccc(CNC(=O)C(C#N)=C([O-])c2cn(C)nn2)c1	ZINC000809003261	640884441	/nfs/dbraw/zinc/88/44/41/640884441.db2.gz	ORFRNTFQURXKSU-LBPRGKRZSA-N	-1	0	297.318	0.762	20	30		CCEDRM
Cc1nn(C)cc1S(=O)(=O)[N-]C(=O)CC(C)(C)C#N	ZINC000809033295	640888830	/nfs/dbraw/zinc/88/88/30/640888830.db2.gz	KCGWKNDTRNYZQD-UHFFFAOYSA-N	-1	0	284.341	0.473	20	30		CCEDRM
CC#CCS(=O)(=O)[N-]C(=O)C1CCSCC1	ZINC000810771658	640948659	/nfs/dbraw/zinc/94/86/59/640948659.db2.gz	MCAYYEASRSEPJO-UHFFFAOYSA-N	-1	0	261.368	0.599	20	30		CCEDRM
CC#CCS(=O)(=O)[N-]C(=O)C(C)(C)C(F)F	ZINC000810775998	640949449	/nfs/dbraw/zinc/94/94/49/640949449.db2.gz	DGWXOBHXHCQUOX-UHFFFAOYSA-N	-1	0	253.270	0.747	20	30		CCEDRM
N#Cc1cncc(S(=O)(=O)[N-]C(=O)[C@@H]2CC23CCC3)c1	ZINC000813984703	641052115	/nfs/dbraw/zinc/05/21/15/641052115.db2.gz	XIZIFKHYKUWCRK-NSHDSACASA-N	-1	0	291.332	0.948	20	30		CCEDRM
Cc1cc(C(=O)[N-]S(=O)(=O)c2cncc(C#N)c2)co1	ZINC000813984233	641052121	/nfs/dbraw/zinc/05/21/21/641052121.db2.gz	NKSHSNBMTHZULM-UHFFFAOYSA-N	-1	0	291.288	0.973	20	30		CCEDRM
O=c1[n-][nH]c(=O)n1N=Cc1cnn(-c2ccccc2)n1	ZINC000814232234	641062445	/nfs/dbraw/zinc/06/24/45/641062445.db2.gz	YQOORVPDZYPULZ-UHFFFAOYSA-N	-1	0	271.240	0.152	20	30		CCEDRM
N#Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-]C(=O)C1CC1	ZINC000816129403	641141988	/nfs/dbraw/zinc/14/19/88/641141988.db2.gz	WHFPDZRTYFRXCG-UHFFFAOYSA-N	-1	0	295.276	0.681	20	30		CCEDRM
N#CCCCS(=O)(=O)[N-]C(=O)/C=C/[C@H]1CCCO1	ZINC000820510399	641512608	/nfs/dbraw/zinc/51/26/08/641512608.db2.gz	UGWLPPXHUAFNGD-BRAIEQGRSA-N	-1	0	272.326	0.471	20	30		CCEDRM
N#CC1(CS(=O)(=O)[N-]C(=O)/C=C\[C@H]2CCCO2)CCC1	ZINC000820658724	641522965	/nfs/dbraw/zinc/52/29/65/641522965.db2.gz	APVQDYXGLANYJB-DOGVGXBMSA-N	-1	0	298.364	0.861	20	30		CCEDRM
N#CCCS(=O)(=O)[N-]C(=O)CCc1ccco1	ZINC000821582443	641609895	/nfs/dbraw/zinc/60/98/95/641609895.db2.gz	NNYQOEKZOVRDQZ-UHFFFAOYSA-N	-1	0	256.283	0.572	20	30		CCEDRM
N#Cc1c(-c2nnn[n-]2)ncn1Cc1cccc(C#N)c1	ZINC000826386499	641933634	/nfs/dbraw/zinc/93/36/34/641933634.db2.gz	HTLGJMPRHMGRIT-UHFFFAOYSA-N	-1	0	276.263	0.855	20	30		CCEDRM
Cn1[n-]c(C(=O)N[C@@H]2Cc3ccc(C#N)cc3C2)cc1=O	ZINC000829485814	642167400	/nfs/dbraw/zinc/16/74/00/642167400.db2.gz	KFMXWWSYJHLOGO-GFCCVEGCSA-N	-1	0	282.303	0.895	20	30		CCEDRM
C#C[C@@H](NC(=O)c1ccc2oc(=O)nc-2[n-]1)[C@@H]1CCCO1	ZINC000832416811	642478635	/nfs/dbraw/zinc/47/86/35/642478635.db2.gz	AJYTXUDNZUEBRS-SCZZXKLOSA-N	-1	0	287.275	0.839	20	30		CCEDRM
C[C@@H](CS(=O)(=O)N1CCC(CC#N)CC1)C(=O)[O-]	ZINC000833520325	642537538	/nfs/dbraw/zinc/53/75/38/642537538.db2.gz	TURKHJKZPPIQNN-VIFPVBQESA-N	-1	0	274.342	0.663	20	30		CCEDRM
Cc1[nH]c(C#N)cc1C(=O)[N-]S(=O)(=O)N1CCCCC1	ZINC000835097294	642647989	/nfs/dbraw/zinc/64/79/89/642647989.db2.gz	IESWXPHOXRJCHC-UHFFFAOYSA-N	-1	0	296.352	0.655	20	30		CCEDRM
O=C([O-])C1(c2ccccc2)CC(N=NC2=NCCN2)C1	ZINC000841660605	642829159	/nfs/dbraw/zinc/82/91/59/642829159.db2.gz	SCIUFHJOTUZXGN-UHFFFAOYSA-N	-1	0	272.308	0.708	20	30		CCEDRM
N#CC(C(=O)N1CCCC1)=C([O-])c1cn2c(n1)CCC2	ZINC000842681536	642933110	/nfs/dbraw/zinc/93/31/10/642933110.db2.gz	MMJREZMWEVTXKH-JTQLQIEISA-N	-1	0	272.308	0.774	20	30		CCEDRM
N#CCCCCC(=O)[N-]S(=O)(=O)c1cc[nH]n1	ZINC000847692512	643546965	/nfs/dbraw/zinc/54/69/65/643546965.db2.gz	UXGTWQJYORSAOG-UHFFFAOYSA-N	-1	0	256.287	0.299	20	30		CCEDRM
O=C(CSc1n[n-]c(=S)s1)NCC#CCO	ZINC000848040262	643576354	/nfs/dbraw/zinc/57/63/54/643576354.db2.gz	GHZKRBZQFAPJOX-UHFFFAOYSA-N	-1	0	275.380	0.031	20	30		CCEDRM
C[C@@H](CNC(=O)NCCNc1ncccc1C#N)C(=O)[O-]	ZINC000848576282	643652855	/nfs/dbraw/zinc/65/28/55/643652855.db2.gz	LUEZCBNUPZNCMU-VIFPVBQESA-N	-1	0	291.311	0.385	20	30		CCEDRM
N#CCCCn1cc(C[N-]C(=O)C(F)(F)F)nn1	ZINC000849140671	643712569	/nfs/dbraw/zinc/71/25/69/643712569.db2.gz	ACGBREKGMHCWPL-UHFFFAOYSA-N	-1	0	261.207	0.760	20	30		CCEDRM
C#CCOCCNS(=O)(=O)c1ccccc1[O-]	ZINC000849385286	643736383	/nfs/dbraw/zinc/73/63/83/643736383.db2.gz	IQLAWZDVSHJKCV-UHFFFAOYSA-N	-1	0	255.295	0.320	20	30		CCEDRM
C[C@H](CC#N)C(=O)[N-]S(=O)(=O)C[C@@H]1CCCCO1	ZINC000850812447	643814603	/nfs/dbraw/zinc/81/46/03/643814603.db2.gz	XDNTXPBFFQWAFT-ZJUUUORDSA-N	-1	0	274.342	0.551	20	30		CCEDRM
C[C@@H](CC#N)C(=O)[N-]S(=O)(=O)c1cncc(C#N)c1	ZINC000851041840	643828652	/nfs/dbraw/zinc/82/86/52/643828652.db2.gz	WRXCPOYMOPACIE-QMMMGPOBSA-N	-1	0	278.293	0.308	20	30		CCEDRM
Cc1c(S(=O)(=O)[N-]C(=O)[C@@H](C)CC#N)cnn1C	ZINC000851040212	643828834	/nfs/dbraw/zinc/82/88/34/643828834.db2.gz	GTROLBIOZNMOPY-ZETCQYMHSA-N	-1	0	270.314	0.083	20	30		CCEDRM
Cc1oc(C#N)cc1C(=O)[N-]S(=O)(=O)CC(F)F	ZINC000851362651	643843513	/nfs/dbraw/zinc/84/35/13/643843513.db2.gz	IZUILXWFZOIILR-UHFFFAOYSA-N	-1	0	278.236	0.784	20	30		CCEDRM
C#CCCN(CCOC)C(=O)c1n[nH]c(C)c1[O-]	ZINC000856389527	644414962	/nfs/dbraw/zinc/41/49/62/644414962.db2.gz	VGKOGQWJOLBPIJ-UHFFFAOYSA-N	-1	0	251.286	0.536	20	30		CCEDRM
N#CCSCC(=O)[N-]S(=O)(=O)C1(C(F)F)CC1	ZINC000861164881	644863623	/nfs/dbraw/zinc/86/36/23/644863623.db2.gz	KWUKQQWAZMFWJV-UHFFFAOYSA-N	-1	0	284.309	0.487	20	30		CCEDRM
N#Cc1nccn1CC(=O)CC[N-]C(=O)C(F)(F)F	ZINC000865362561	645358680	/nfs/dbraw/zinc/35/86/80/645358680.db2.gz	ZRUQKTUCQOLYDG-UHFFFAOYSA-N	-1	0	274.202	0.392	20	30		CCEDRM
C[C@H]1CCn2cc(C(=O)N[C@H]3CCCN(O)C3=O)nc2C1	ZINC000868562465	645787236	/nfs/dbraw/zinc/78/72/36/645787236.db2.gz	FQOZZOZXOHPSFK-UWVGGRQHSA-N	-1	0	292.339	0.575	20	30		CCEDRM
N#CC1(CS(=O)(=O)[N-]C(=O)[C@]23CCC[C@H]2OCC3)CC1	ZINC000870281151	645977979	/nfs/dbraw/zinc/97/79/79/645977979.db2.gz	DJKUTDNFDFZMOZ-MFKMUULPSA-N	-1	0	298.364	0.695	20	30		CCEDRM
C[C@@H](C(=O)[N-]Oc1cccc(C#N)c1)S(C)(=O)=O	ZINC000870692964	646017804	/nfs/dbraw/zinc/01/78/04/646017804.db2.gz	UAHFLCVRGWIHCY-QMMMGPOBSA-N	-1	0	268.294	0.401	20	30		CCEDRM
C[C@@H](CN(C)C(=O)C#Cc1ccccc1)c1nnn[n-]1	ZINC000124437992	646354866	/nfs/dbraw/zinc/35/48/66/646354866.db2.gz	FASGKJGPMKCQMO-NSHDSACASA-N	-1	0	269.308	0.813	20	30		CCEDRM
N#C[C@]1(F)CCN(C(=O)N[C@H]2C[C@@H](C(=O)[O-])C2)C1	ZINC000874415778	646456669	/nfs/dbraw/zinc/45/66/69/646456669.db2.gz	UOEFBSGWBXUUEG-VHSKPIJISA-N	-1	0	255.249	0.497	20	30		CCEDRM
N#CC(C(=O)NC1CC1)=C([O-])c1cnn2c1CCCC2	ZINC000125613002	646555444	/nfs/dbraw/zinc/55/54/44/646555444.db2.gz	PESRZAAXUQJWBY-SNVBAGLBSA-N	-1	0	272.308	0.820	20	30		CCEDRM
CC[C@H](CNS(=O)(=O)c1ccc(C#N)cc1)C(=O)[O-]	ZINC000087497671	649630051	/nfs/dbraw/zinc/63/00/51/649630051.db2.gz	ICRCVYFGGGFUCM-SNVBAGLBSA-N	-1	0	282.321	0.947	20	30		CCEDRM
C#C[C@H](CCC)NC(=O)[C@H]1C[C@@H](C)[C@H](C(=O)[O-])O1	ZINC001573302880	962664049	/nfs/dbraw/zinc/66/40/49/962664049.db2.gz	RNOOUGOCGDZPEY-GWOFURMSSA-N	-1	0	253.298	0.783	20	30		CCEDRM
COCCn1cc([N-]S(=O)(=O)[C@H](C)C#N)cn1	ZINC000088477119	790359576	/nfs/dbraw/zinc/35/95/76/790359576.db2.gz	ATAVKSNUIHIBJX-MRVPVSSYSA-N	-1	0	258.303	0.183	20	30		CCEDRM
CCOc1nc(OC(=O)[C@@H](O)CC(=O)[O-])c(C#N)s1	ZINC001231091257	805726982	/nfs/dbraw/zinc/72/69/82/805726982.db2.gz	NOACYHDIDNJBOA-YFKPBYRVSA-N	-1	0	286.265	0.154	20	30		CCEDRM
N#Cc1ccc([O-])c(CN2C[C@@H](F)C[C@H]2C(N)=O)c1	ZINC001232679189	805969098	/nfs/dbraw/zinc/96/90/98/805969098.db2.gz	GMDHCZCALKVITL-QWRGUYRKSA-N	-1	0	263.272	0.662	20	30		CCEDRM
Cc1cncc(C(=O)/C=C\c2cn(CC(=O)[O-])nn2)c1	ZINC000588476182	791430759	/nfs/dbraw/zinc/43/07/59/791430759.db2.gz	FMHIFOXSFDGSNP-IHWYPQMZSA-N	-1	0	272.264	0.962	20	30		CCEDRM
CCOC(=O)C[C@@H](CC#N)Oc1[nH]c(=O)nc2cn[n-]c21	ZINC001233936609	806150576	/nfs/dbraw/zinc/15/05/76/806150576.db2.gz	ZFNLZNOXBKZNOJ-SSDOTTSWSA-N	-1	0	291.267	0.260	20	30		CCEDRM
C#CC(C#C)Oc1[n-]c(=O)nc2ccc(C(N)=O)cc21	ZINC001234515548	806266328	/nfs/dbraw/zinc/26/63/28/806266328.db2.gz	IQOYPZGUYQTZBH-UHFFFAOYSA-N	-1	0	267.244	0.448	20	30		CCEDRM
C=CCN1CC[C@@H](N(C)C(=O)c2c[n-]ncc2=O)C1=O	ZINC001120647927	798902618	/nfs/dbraw/zinc/90/26/18/798902618.db2.gz	OTJWLSCUIQBGDJ-SNVBAGLBSA-N	-1	0	276.296	0.041	20	30		CCEDRM
CCCCN(CC)c1[n-]c(=O)n(C)c(=O)c1C#N	ZINC001120792834	798937551	/nfs/dbraw/zinc/93/75/51/798937551.db2.gz	FPBJFMFXRMJGTL-UHFFFAOYSA-N	-1	0	250.302	0.572	20	30		CCEDRM
CSCCCCCNc1[n-]c(=O)n(C)c(=O)c1C#N	ZINC001120835783	798945990	/nfs/dbraw/zinc/94/59/90/798945990.db2.gz	FMYZGKOZSCMBDZ-UHFFFAOYSA-N	-1	0	282.369	0.890	20	30		CCEDRM
CSCC[C@H](C)Nc1[n-]c(=O)n(C)c(=O)c1C#N	ZINC001120898539	798958127	/nfs/dbraw/zinc/95/81/27/798958127.db2.gz	CWIIOQKWIRCXHD-ZETCQYMHSA-N	-1	0	268.342	0.499	20	30		CCEDRM
C=CCn1c(-c2noc(=O)[nH]2)nnc1N1C[C@H](C)[C@@H](C)C1	ZINC001121578100	799058847	/nfs/dbraw/zinc/05/88/47/799058847.db2.gz	FSFVBXUYBQKLAZ-IUCAKERBSA-N	-1	0	290.327	0.900	20	30		CCEDRM
CNC(=O)C(C#N)=C([O-])c1cnn(C)c1Br	ZINC001122415727	799227483	/nfs/dbraw/zinc/22/74/83/799227483.db2.gz	MTHURWCLLPDNRQ-YFKPBYRVSA-N	-1	0	285.101	0.251	20	30		CCEDRM
COC(=O)c1cnc(C([O-])=C(C#N)C(=O)NC(C)C)cn1	ZINC001122502443	799251226	/nfs/dbraw/zinc/25/12/26/799251226.db2.gz	OSVZTNHLFPJYIN-QMMMGPOBSA-N	-1	0	290.279	0.110	20	30		CCEDRM
COc1cncc(C([O-])=C(C#N)c2nccn2C)n1	ZINC001122517489	799255454	/nfs/dbraw/zinc/25/54/54/799255454.db2.gz	CNWOJNKIIPGWFL-QMMMGPOBSA-N	-1	0	257.253	0.709	20	30		CCEDRM
CNC(=O)C(C#N)=C([O-])c1ccnc(F)c1OC	ZINC001122557502	799262935	/nfs/dbraw/zinc/26/29/35/799262935.db2.gz	YOQNJQJGLRUJAA-SSDOTTSWSA-N	-1	0	251.217	0.298	20	30		CCEDRM
C=CCOC[C@@H](NC(=O)[C@@H]1C[C@H]1c1ccncc1)C(=O)[O-]	ZINC001123280591	799382860	/nfs/dbraw/zinc/38/28/60/799382860.db2.gz	WVUXUARZHVUTMY-YNEHKIRRSA-N	-1	0	290.319	0.957	20	30		CCEDRM
C=CCn1cc(C(=O)N2CC[C@@H]([C@H](F)C(=O)[O-])C2)nn1	ZINC001123384542	799402582	/nfs/dbraw/zinc/40/25/82/799402582.db2.gz	MMRUETUQKNBJER-SCZZXKLOSA-N	-1	0	282.275	0.349	20	30		CCEDRM
C#C[C@@H](C)N(C)c1nnc(-c2cc(=O)[nH][n-]2)n1CC1CC1	ZINC001123681710	799453463	/nfs/dbraw/zinc/45/34/63/799453463.db2.gz	VBUAEJLQXYYFSZ-SECBINFHSA-N	-1	0	286.339	0.370	20	30		CCEDRM
Cc1cc(C#N)c(=O)[n-]c1C(=O)N1CCO[C@H](C)C1	ZINC001141237326	799992872	/nfs/dbraw/zinc/99/28/72/799992872.db2.gz	UNIYDPJVYVGGQY-SECBINFHSA-N	-1	0	261.281	0.828	20	30		CCEDRM
Nc1nonc1C(=Nc1ccsc1C(=O)[O-])NO	ZINC001215383806	800046788	/nfs/dbraw/zinc/04/67/88/800046788.db2.gz	PYHRXKZHSKQZKR-UHFFFAOYSA-N	-1	0	269.242	0.469	20	30		CCEDRM
CN(CC#N)C(=O)c1sc(C(=O)[O-])c2c1OCCO2	ZINC001152703545	800549868	/nfs/dbraw/zinc/54/98/68/800549868.db2.gz	BVNFAEDVZNWSKP-UHFFFAOYSA-N	-1	0	282.277	0.813	20	30		CCEDRM
C#CC1(F)CN(C(=O)c2c[nH]c3nc(=O)[n-]c(=O)c-3c2)C1	ZINC001153616130	800647368	/nfs/dbraw/zinc/64/73/68/800647368.db2.gz	ICKOMFYJLKCMJL-UHFFFAOYSA-N	-1	0	288.238	0.233	20	30		CCEDRM
C#CCN(CC#N)C(=O)c1ccc2oc(=O)nc-2[n-]1	ZINC001155222684	800934256	/nfs/dbraw/zinc/93/42/56/800934256.db2.gz	NSOSAFOFJWGVJR-UHFFFAOYSA-N	-1	0	256.221	0.527	20	30		CCEDRM
C=CCNC(=O)c1cccnc1N[C@H]1SC(=O)[N-]C1=O	ZINC001155844455	801064240	/nfs/dbraw/zinc/06/42/40/801064240.db2.gz	MSJTUQPLXSYTDB-NSHDSACASA-N	-1	0	292.320	0.718	20	30		CCEDRM
C=CCC1(O)CCN(C(=O)CSc2n[nH]c(=O)[n-]2)CC1	ZINC001155858430	801067949	/nfs/dbraw/zinc/06/79/49/801067949.db2.gz	WNNXEYVONFVRLF-UHFFFAOYSA-N	-1	0	298.368	0.532	20	30		CCEDRM
C#CCN(Cc1ccccc1)C(=O)Cn1c(=O)[n-][nH]c1=O	ZINC001157258589	801334628	/nfs/dbraw/zinc/33/46/28/801334628.db2.gz	QVFQOUIANYJAAI-UHFFFAOYSA-N	-1	0	286.291	0.351	20	30		CCEDRM
CCC1(CC(=O)Nc2nc(C#N)c(C#N)[n-]2)COC1	ZINC001160538143	801966019	/nfs/dbraw/zinc/96/60/19/801966019.db2.gz	GJUGZFMDOQCDET-UHFFFAOYSA-N	-1	0	259.269	0.908	20	30		CCEDRM
C=CCS(=O)(=O)[N-]c1nn(C)c2ncccc12	ZINC001259922645	808804755	/nfs/dbraw/zinc/80/47/55/808804755.db2.gz	PJGVBFWZOBFWCB-UHFFFAOYSA-N	-1	0	252.299	0.896	20	30		CCEDRM
C=CCS(=O)(=O)N[C@@H](COC(C)(C)C)C(=O)OC	ZINC001259933382	808809473	/nfs/dbraw/zinc/80/94/73/808809473.db2.gz	XTQCKOPKFHTAGH-VIFPVBQESA-N	-1	0	279.358	0.449	20	30		CCEDRM
CSc1nc(C)c(C#N)c(N[C@H]2SC(=O)[N-]C2=O)n1	ZINC001163662254	802584781	/nfs/dbraw/zinc/58/47/81/802584781.db2.gz	MBCXXLJFOCKKRW-QMMMGPOBSA-N	-1	0	295.349	0.522	20	30		CCEDRM
COC(=O)c1ccc(N[C@H]2SC(=O)[N-]C2=O)c(C#N)n1	ZINC001163673205	802589630	/nfs/dbraw/zinc/58/96/30/802589630.db2.gz	WLEXSSMUTPRNCF-VIFPVBQESA-N	-1	0	292.276	0.461	20	30		CCEDRM
C=C[C@H](C)[C@@H](C)C(=O)NCCC[NH2+]Cc1n[nH]c(=O)[n-]1	ZINC001164221792	802690941	/nfs/dbraw/zinc/69/09/41/802690941.db2.gz	FEICPUFPZUJRLL-VHSXEESVSA-N	-1	0	281.360	0.564	20	30		CCEDRM
Cc1nc(C#N)c(C#N)nc1NCC[N-]C(=O)C(F)(F)F	ZINC001164244479	802696370	/nfs/dbraw/zinc/69/63/70/802696370.db2.gz	KAPHZJAIMDHCTH-UHFFFAOYSA-N	-1	0	298.228	0.619	20	30		CCEDRM
N#Cc1ncc(-c2ccc(C(=O)[O-])nc2)nc1C#N	ZINC001242333859	806999777	/nfs/dbraw/zinc/99/97/77/806999777.db2.gz	PHSOIUMQGCXPOT-UHFFFAOYSA-N	-1	0	251.205	0.980	20	30		CCEDRM
N#Cc1cccc(C(=O)COC(=O)[C@@H](O)CC(=O)[O-])c1	ZINC001210370039	803648500	/nfs/dbraw/zinc/64/85/00/803648500.db2.gz	ZPMDMHPDMNNXOH-JTQLQIEISA-N	-1	0	277.232	0.120	20	30		CCEDRM
C=CC(=O)OC[C@@H](COC(=O)C(=C)C)OCC(=O)[O-]	ZINC001225022915	805101550	/nfs/dbraw/zinc/10/15/50/805101550.db2.gz	WBZUEKNQZWLHGQ-VIFPVBQESA-N	-1	0	272.253	0.305	20	30		CCEDRM
N#CCCN1CC(Oc2nc(Cl)cc(=O)[n-]2)C1	ZINC001225563861	805141621	/nfs/dbraw/zinc/14/16/21/805141621.db2.gz	VNKDSICDPZVUSY-UHFFFAOYSA-N	-1	0	254.677	0.812	20	30		CCEDRM
COC(=O)c1cc(=O)[n-]c(OC2=C(C)O[C@H](C)C2=O)n1	ZINC001225734114	805154957	/nfs/dbraw/zinc/15/49/57/805154957.db2.gz	IJLBDOKILGFTRF-RXMQYKEDSA-N	-1	0	280.236	0.567	20	30		CCEDRM
C=C(C)C(=O)OC[C@H](C)Oc1nc(C(=O)OC)cc(=O)[n-]1	ZINC001225734951	805157349	/nfs/dbraw/zinc/15/73/49/805157349.db2.gz	QMSBSRAMIRWKIZ-QMMMGPOBSA-N	-1	0	296.279	0.855	20	30		CCEDRM
C[C@H](CN1CCOCC1)Oc1[n-]c(=O)c(F)cc1C#N	ZINC001226014692	805185377	/nfs/dbraw/zinc/18/53/77/805185377.db2.gz	ZHCZYWVBINKNSC-SECBINFHSA-N	-1	0	281.287	0.897	20	30		CCEDRM
Cc1cc(=O)[n-]c(OC[C@H]2COCCO2)c1C#N	ZINC001226221043	805207922	/nfs/dbraw/zinc/20/79/22/805207922.db2.gz	HDKOYFYBKAQQQK-SECBINFHSA-N	-1	0	250.254	0.762	20	30		CCEDRM
COC(=O)c1[n-]c(=O)nc(O[C@H](C)CS)c1[N+](=O)[O-]	ZINC001226647820	805260349	/nfs/dbraw/zinc/26/03/49/805260349.db2.gz	CLUZVRMWSALVDK-SCSAIBSYSA-N	-1	0	289.269	0.574	20	30		CCEDRM
C#C[C@@H](CC)Oc1nc(=O)[n-]c(C(=O)OC)c1[N+](=O)[O-]	ZINC001226653467	805261659	/nfs/dbraw/zinc/26/16/59/805261659.db2.gz	VNMAOINDGGOTOR-LURJTMIESA-N	-1	0	281.224	0.668	20	30		CCEDRM
COc1ccc(C#N)c(OC(=O)[C@@H](O)CC(=O)[O-])c1	ZINC001226791024	805281526	/nfs/dbraw/zinc/28/15/26/805281526.db2.gz	KKAWYFRIDJEDMC-VIFPVBQESA-N	-1	0	265.221	0.308	20	30		CCEDRM
C=CCOC[C@H](CS(=O)(=O)[O-])Oc1cc(=O)[nH]cn1	ZINC001226945290	805297727	/nfs/dbraw/zinc/29/77/27/805297727.db2.gz	SABMHOLJNVVNHM-MRVPVSSYSA-N	-1	0	290.297	0.020	20	30		CCEDRM
N#CCN1CC[C@@H](Oc2[n-]c(=O)nc3[nH]ccc32)C1	ZINC001227270133	805339245	/nfs/dbraw/zinc/33/92/45/805339245.db2.gz	CXLDWIISQMJPDE-MRVPVSSYSA-N	-1	0	259.269	0.640	20	30		CCEDRM
N#Cc1cc(OC(=O)[C@H](O)CC(=O)[O-])cnc1Cl	ZINC001227743831	805385729	/nfs/dbraw/zinc/38/57/29/805385729.db2.gz	CEFQBIJIVKDOPH-SSDOTTSWSA-N	-1	0	270.628	0.348	20	30		CCEDRM
N#Cc1ccc2cccc(OC(=O)[C@H](O)CC(=O)[O-])c2n1	ZINC001228409243	805444118	/nfs/dbraw/zinc/44/41/18/805444118.db2.gz	RFJGACLZRDZMHN-SNVBAGLBSA-N	-1	0	286.243	0.847	20	30		CCEDRM
N#Cc1ccc(=O)[n-]c1O[C@@H]1[C@H]2C[C@H]3C(=O)O[C@H]1[C@H]3C2	ZINC001228898092	805487799	/nfs/dbraw/zinc/48/77/99/805487799.db2.gz	BTPMBOKWZRQKRN-YYTHCXKUSA-N	-1	0	272.260	0.988	20	30		CCEDRM
CC[C@@H](C#CC(=O)OC)Oc1nc(OC)cc(=O)[n-]1	ZINC001228918015	805489680	/nfs/dbraw/zinc/48/96/80/805489680.db2.gz	JSKGHMSZJBKNRN-QMMMGPOBSA-N	-1	0	266.253	0.525	20	30		CCEDRM
N#Cc1ccc(OC(=O)[C@H](O)CCC(=O)[O-])c(C#N)c1	ZINC001229035952	805498588	/nfs/dbraw/zinc/49/85/88/805498588.db2.gz	KCJMCCDXIXKGMY-SNVBAGLBSA-N	-1	0	274.232	0.561	20	30		CCEDRM
CC1=C(Oc2nc(C)[n-]c(=O)c2[N+](=O)[O-])C(=O)[C@H](C)O1	ZINC001229378076	805527639	/nfs/dbraw/zinc/52/76/39/805527639.db2.gz	FOMKEXMRCSIZAB-BYPYZUCNSA-N	-1	0	281.224	0.997	20	30		CCEDRM
COC(=O)c1cnc(=O)[nH]c1OC1=C(C)O[C@@H](C)C1=O	ZINC001229873812	805564273	/nfs/dbraw/zinc/56/42/73/805564273.db2.gz	YGPUZPWSTWESPY-YFKPBYRVSA-N	-1	0	280.236	0.567	20	30		CCEDRM
COc1ccnc(-c2cnn(CC(=O)[O-])c2)c1C#N	ZINC001242181736	806994342	/nfs/dbraw/zinc/99/43/42/806994342.db2.gz	JMOCCEXJALIXJH-UHFFFAOYSA-N	-1	0	258.237	0.910	20	30		CCEDRM
COc1cc(C#N)ccc1COC(=O)[C@@H](O)CC(=O)[O-]	ZINC001224188343	815115282	/nfs/dbraw/zinc/11/52/82/815115282.db2.gz	CIWBXOPKWXTHQP-JTQLQIEISA-N	-1	0	279.248	0.446	20	30		CCEDRM
N#Cc1c([O-])csc1NC[C@H](O)CN1CCOCC1	ZINC001251005424	807637032	/nfs/dbraw/zinc/63/70/32/807637032.db2.gz	BTYCAZZPLMTGED-VIFPVBQESA-N	-1	0	283.353	0.430	20	30		CCEDRM
C#Cc1nccnc1[N-]S(=O)(=O)C(F)(F)F	ZINC001252282812	807801892	/nfs/dbraw/zinc/80/18/92/807801892.db2.gz	RHGDZHJOMUREPG-UHFFFAOYSA-N	-1	0	251.189	0.719	20	30		CCEDRM
C=CCn1cnc2c1ncnc2[N-]S(C)(=O)=O	ZINC001252643481	807926730	/nfs/dbraw/zinc/92/67/30/807926730.db2.gz	NTVOQCVBLQWKMT-UHFFFAOYSA-N	-1	0	253.287	0.384	20	30		CCEDRM
Cn1ncc([N-]S(=O)(=O)CC(F)(F)F)c1C#N	ZINC001253123968	808006805	/nfs/dbraw/zinc/00/68/05/808006805.db2.gz	NWNBHSLSLFITPD-UHFFFAOYSA-N	-1	0	268.220	0.596	20	30		CCEDRM
C#CCN(CC#C)Cc1cn(CCCC(=O)[O-])nn1	ZINC001254086254	808179136	/nfs/dbraw/zinc/17/91/36/808179136.db2.gz	JSQZNMNYGSYIBN-UHFFFAOYSA-N	-1	0	260.297	0.211	20	30		CCEDRM
C#CCN(CC#C)Cc1cn(C(C)(C)CC(=O)[O-])nn1	ZINC001254093546	808180355	/nfs/dbraw/zinc/18/03/55/808180355.db2.gz	CCPREPRVZKSRJM-UHFFFAOYSA-N	-1	0	274.324	0.556	20	30		CCEDRM
N#Cc1ccccc1S(=O)(=O)Nc1c([O-])nc[nH]c1=O	ZINC001258208811	808663865	/nfs/dbraw/zinc/66/38/65/808663865.db2.gz	YPOOLISXHMVUMK-UHFFFAOYSA-N	-1	0	292.276	0.560	20	30		CCEDRM
Cc1cc([N-]S(=O)(=O)c2cn(C)cn2)cnc1C#N	ZINC001258994223	808709650	/nfs/dbraw/zinc/70/96/50/808709650.db2.gz	QXBOBLOMRUAYGV-UHFFFAOYSA-N	-1	0	277.309	0.796	20	30		CCEDRM
CCn1cc(S(=O)(=O)[N-]c2cncc(C#N)c2)cn1	ZINC001259832134	808782746	/nfs/dbraw/zinc/78/27/46/808782746.db2.gz	HEHMHHHXEWWWCI-UHFFFAOYSA-N	-1	0	277.309	0.970	20	30		CCEDRM
C=CCS(=O)(=O)[N-]c1c(CC)n(C)nc1C(N)=O	ZINC001259923983	808805229	/nfs/dbraw/zinc/80/52/29/808805229.db2.gz	JGUPPIMNLIARLN-UHFFFAOYSA-N	-1	0	272.330	0.009	20	30		CCEDRM
Cc1nn(C)c(C)c1S(=O)(=O)[N-]c1c(C#N)ncn1C	ZINC001260106579	808852764	/nfs/dbraw/zinc/85/27/64/808852764.db2.gz	GILJUHXWTFVYFQ-UHFFFAOYSA-N	-1	0	294.340	0.443	20	30		CCEDRM
O=C([O-])c1cccc(S(=O)(=O)NCCCS)c1	ZINC001260193642	808855724	/nfs/dbraw/zinc/85/57/24/808855724.db2.gz	OFQAUCUGADKVMP-UHFFFAOYSA-N	-1	0	275.351	0.983	20	30		CCEDRM
CS(=O)(=O)CS(=O)(=O)[N-]c1c(O)cccc1C#N	ZINC001260592967	808871672	/nfs/dbraw/zinc/87/16/72/808871672.db2.gz	TVIBWLPXHYQRSD-UHFFFAOYSA-N	-1	0	290.322	0.008	20	30		CCEDRM
CCOCCS(=O)(=O)[N-]C(=O)c1csc(C#N)c1	ZINC001261278817	808943730	/nfs/dbraw/zinc/94/37/30/808943730.db2.gz	PESCUEXQIJDFBS-UHFFFAOYSA-N	-1	0	288.350	0.716	20	30		CCEDRM
C=CC[C@H](NC(=O)c1cnc2n1CCCC2)C(=O)[O-]	ZINC001261844008	809106580	/nfs/dbraw/zinc/10/65/80/809106580.db2.gz	YPEAXDWGVKOUTP-VIFPVBQESA-N	-1	0	263.297	0.979	20	30		CCEDRM
C=CCN(CC=C)C(=O)C(=O)N[C@H]1C[C@@H](C(=O)[O-])C1	ZINC001262055985	809176474	/nfs/dbraw/zinc/17/64/74/809176474.db2.gz	AAVOECITCPKBNX-AOOOYVTPSA-N	-1	0	266.297	0.166	20	30		CCEDRM
C=CCn1c(-c2cc(=O)[nH][n-]2)nnc1N(C)CCC	ZINC001262969476	809425017	/nfs/dbraw/zinc/42/50/17/809425017.db2.gz	IVRGBFLCNKGWTB-UHFFFAOYSA-N	-1	0	262.317	0.534	20	30		CCEDRM
CNC(=O)C(C#N)=C([O-])c1cn(C)nc1-c1ccncc1	ZINC001263292400	809504606	/nfs/dbraw/zinc/50/46/06/809504606.db2.gz	FJPDDGJSZXLARP-JTQLQIEISA-N	-1	0	283.291	0.551	20	30		CCEDRM
C#CCO[C@H](C)C(=O)N1CC[C@H]([C@@H](F)C(=O)[O-])C1	ZINC001263632376	809544736	/nfs/dbraw/zinc/54/47/36/809544736.db2.gz	NHIFJSHQACHMHD-KXUCPTDWSA-N	-1	0	257.261	0.296	20	30		CCEDRM
N#Cc1cc(NC(=O)Cn2cccnc2=O)c([O-])cc1F	ZINC001141953925	814323704	/nfs/dbraw/zinc/32/37/04/814323704.db2.gz	CRAREXNVGYWTEW-UHFFFAOYSA-N	-1	0	288.238	0.598	20	30		CCEDRM
O=[N+]([O-])c1cc(Cl)cc(C=NNCCO)c1[O-]	ZINC000916657485	816979242	/nfs/dbraw/zinc/97/92/42/816979242.db2.gz	FTNHMHUPTPLDRQ-UHFFFAOYSA-N	-1	0	259.649	0.870	20	30		CCEDRM
N#CCN1CC[C@H](Oc2nc[n-]c(=O)c2Cl)C1	ZINC001230018737	821402588	/nfs/dbraw/zinc/40/25/88/821402588.db2.gz	STFOFMLEUZWZLF-ZETCQYMHSA-N	-1	0	254.677	0.812	20	30		CCEDRM
C=C(C)C[N@H+]1CC[C@H]1CN(C)C(=O)c1n[nH]c(=O)[n-]c1=O	ZINC001085699066	821907443	/nfs/dbraw/zinc/90/74/43/821907443.db2.gz	FGLIXCMRBOLNCY-VIFPVBQESA-N	-1	0	293.327	0.005	20	30		CCEDRM
C=CCOC[C@@H](CS(=O)(=O)[O-])OC[C@@H]1CCCO1	ZINC001205991211	822328052	/nfs/dbraw/zinc/32/80/52/822328052.db2.gz	BXXCSHUYACGWNF-QWRGUYRKSA-N	-1	0	280.342	0.641	20	30		CCEDRM
N#CC1(CS(=O)(=O)[N-]C(=O)C[C@@H]2CCCCO2)CC1	ZINC000793204087	837407500	/nfs/dbraw/zinc/40/75/00/837407500.db2.gz	NUKCDKWPDGTFBE-JTQLQIEISA-N	-1	0	286.353	0.695	20	30		CCEDRM
COC(=O)n1ncc(C#N)c1[N-]c1ncc2c(n1)COC2	ZINC001169971414	836578547	/nfs/dbraw/zinc/57/85/47/836578547.db2.gz	ZMQLIFNQBLLASV-UHFFFAOYSA-N	-1	0	286.251	0.933	20	30		CCEDRM
CN1CCN(C(=O)CCC(=O)C2=CC=C[CH]2)CC1=O	ZINC001184240561	844186485	/nfs/dbraw/zinc/18/64/85/844186485.db2.gz	HILQLNXHKSIOCN-UHFFFAOYSA-N	-1	0	261.301	0.337	20	30		CCEDRM
CN1CC2(C1)CN(C(=O)CCC(=O)C1=CC=C[CH]1)C2	ZINC001184244891	844187228	/nfs/dbraw/zinc/18/72/28/844187228.db2.gz	GQROJUJSFSUJSN-UHFFFAOYSA-N	-1	0	259.329	0.810	20	30		CCEDRM
CC(=O)N1C[C@H]2C[C@@]2(NC(=O)CCC(=O)C2=CC=C[CH]2)C1	ZINC001184245099	844187815	/nfs/dbraw/zinc/18/78/15/844187815.db2.gz	ZMAPZAYBYKNECK-CZUORRHYSA-N	-1	0	287.339	0.773	20	30		CCEDRM
N#Cc1cncc([N-]S(=O)(=O)c2cnc(Cl)nc2)n1	ZINC001185006197	844321659	/nfs/dbraw/zinc/32/16/59/844321659.db2.gz	VJLZXGQWPQZQBM-UHFFFAOYSA-N	-1	0	296.699	0.592	20	30		CCEDRM
CC#CCS(=O)(=O)[N-]C(=O)c1ccn(C)c1C	ZINC000810773884	838406320	/nfs/dbraw/zinc/40/63/20/838406320.db2.gz	IJIBCFXGRWOALU-UHFFFAOYSA-N	-1	0	254.311	0.416	20	30		CCEDRM
CCOCCS(=O)(=O)[N-]c1ncnc(OC)c1C#N	ZINC001187257405	844689714	/nfs/dbraw/zinc/68/97/14/844689714.db2.gz	XADPCISPTUVBLR-UHFFFAOYSA-N	-1	0	286.313	0.135	20	30		CCEDRM
O=C([O-])CCC(=O)CNC(=O)/C=C/C(=O)c1ccccc1	ZINC001144714591	840122339	/nfs/dbraw/zinc/12/23/39/840122339.db2.gz	XBZDQZUFJMFOMH-BQYQJAHWSA-N	-1	0	289.287	0.976	20	30		CCEDRM
C=CCOc1ccc(C(=O)NCS(=O)(=O)[O-])cc1	ZINC001148467870	840809683	/nfs/dbraw/zinc/80/96/83/840809683.db2.gz	DIFOAUWJHBGZIY-UHFFFAOYSA-N	-1	0	271.294	0.827	20	30		CCEDRM
N#C[C@@H](NC(=O)c1cc(Cl)cc(Cl)c1[O-])C(N)=O	ZINC001148814445	840893970	/nfs/dbraw/zinc/89/39/70/840893970.db2.gz	SJJWCFHMFOJWPU-SSDOTTSWSA-N	-1	0	288.090	0.806	20	30		CCEDRM
N#Cc1cccc(N2C[C@H]3COCC[C@@]3(C(=O)[O-])C2)n1	ZINC000715767325	841399120	/nfs/dbraw/zinc/39/91/20/841399120.db2.gz	XOUFAMUSUJIAHN-IINYFYTJSA-N	-1	0	273.292	0.881	20	30		CCEDRM
Cn1ccc(C(=O)N2CC(C)(C#N)C2)c1CC(=O)[O-]	ZINC001177361183	842566200	/nfs/dbraw/zinc/56/62/00/842566200.db2.gz	NPYZSJSVWNHLQR-UHFFFAOYSA-N	-1	0	261.281	0.638	20	30		CCEDRM
Cn1ccc(C(=O)N(CCC#N)CCC#N)c1CC(=O)[O-]	ZINC001177365362	842567800	/nfs/dbraw/zinc/56/78/00/842567800.db2.gz	SHLQEPBOQJMMFZ-UHFFFAOYSA-N	-1	0	288.307	0.922	20	30		CCEDRM
N#C[C@H]1CC[C@H](NC(=O)Cn2nn[n-]c2=S)CC1	ZINC001177742249	842664527	/nfs/dbraw/zinc/66/45/27/842664527.db2.gz	ASSCLSLADFEPAQ-ZKCHVHJHSA-N	-1	0	266.330	0.160	20	30		CCEDRM
N#CCCN(CCC#N)C(=O)C(F)(F)C(F)(F)C(=O)[O-]	ZINC001180172848	843108776	/nfs/dbraw/zinc/10/87/76/843108776.db2.gz	DOKYZEYQBQCHSN-UHFFFAOYSA-N	-1	0	295.192	0.998	20	30		CCEDRM
N#Cc1cc(CC(=O)N[C@H]2SC(=O)[N-]C2=O)ccc1F	ZINC001181195240	843422223	/nfs/dbraw/zinc/42/22/23/843422223.db2.gz	BCKSBJLULKUHHG-NSHDSACASA-N	-1	0	293.279	0.665	20	30		CCEDRM
N#Cc1nc(N)c([N-]c2ccc([N+](=O)[O-])nc2)nc1C#N	ZINC001203566024	844008408	/nfs/dbraw/zinc/00/84/08/844008408.db2.gz	ATPYDSHAWOYMDX-UHFFFAOYSA-N	-1	0	282.223	0.849	20	30		CCEDRM
C=C[C@H]1C[C@]1(NS(=O)(=O)C1CCC1)C(=O)OCC	ZINC001188160830	844849567	/nfs/dbraw/zinc/84/95/67/844849567.db2.gz	NABVXOKBFNPARF-JOYOIKCWSA-N	-1	0	273.354	0.966	20	30		CCEDRM
N#C[C@@H]1CN(C(=O)c2ccccc2S(=O)(=O)[O-])CCO1	ZINC001189689612	845192964	/nfs/dbraw/zinc/19/29/64/845192964.db2.gz	KPVRXJHCTFUPKI-SECBINFHSA-N	-1	0	296.304	0.298	20	30		CCEDRM
COC(=O)n1ncc(C#N)c1[N-]S(=O)(=O)CCCF	ZINC001189933135	845292330	/nfs/dbraw/zinc/29/23/30/845292330.db2.gz	JVGCNFKJVPOEOW-UHFFFAOYSA-N	-1	0	290.276	0.471	20	30		CCEDRM
C#Cc1ccccc1C(=O)Nc1c(N)[nH]c(=O)[nH]c1=O	ZINC001191100910	845578956	/nfs/dbraw/zinc/57/89/56/845578956.db2.gz	MRPIXOWDXLKOQH-UHFFFAOYSA-N	-1	0	270.248	0.704	20	30		CCEDRM
C#Cc1ccccc1C(=O)NCCCc1c[nH][nH]c1=O	ZINC001191116253	845585104	/nfs/dbraw/zinc/58/51/04/845585104.db2.gz	CSBALNBPASFUOM-LBPRGKRZSA-N	-1	0	269.304	0.910	20	30		CCEDRM
N#Cc1cc(C(=O)NC2C(=O)N=CN=C2[O-])ccn1	ZINC001191539919	845676330	/nfs/dbraw/zinc/67/63/30/845676330.db2.gz	IXIJXQILILLTPH-UHFFFAOYSA-N	-1	0	257.209	0.407	20	30		CCEDRM
Cc1nc(S(C)(=O)=O)ccc1[N-]S(=O)(=O)CC#N	ZINC001192943036	845930351	/nfs/dbraw/zinc/93/03/51/845930351.db2.gz	HKXGVKIHIKHYQT-UHFFFAOYSA-N	-1	0	289.338	0.059	20	30		CCEDRM
CCOC(=O)c1sc(C)nc1[N-]S(=O)(=O)CC#N	ZINC001192951611	845934467	/nfs/dbraw/zinc/93/44/67/845934467.db2.gz	MKDLBAGRNXPBIY-UHFFFAOYSA-N	-1	0	289.338	0.894	20	30		CCEDRM
CNC(=O)c1ccc([N-]S(=O)(=O)CC#N)cc1F	ZINC001192982233	845942679	/nfs/dbraw/zinc/94/26/79/845942679.db2.gz	KYCDAFUHOPJBOV-UHFFFAOYSA-N	-1	0	271.273	0.451	20	30		CCEDRM
CCOC(=O)c1cnc(C)c([N-]S(=O)(=O)CC#N)c1	ZINC001192939511	845943086	/nfs/dbraw/zinc/94/30/86/845943086.db2.gz	RXQRVQHKYHFVJS-UHFFFAOYSA-N	-1	0	283.309	0.832	20	30		CCEDRM
N#CCS(=O)(=O)[N-]c1ccc2c(cc[nH]c2=O)c1	ZINC001192978751	845961238	/nfs/dbraw/zinc/96/12/38/845961238.db2.gz	DITRXXZDTQOBFP-UHFFFAOYSA-N	-1	0	263.278	0.793	20	30		CCEDRM
COc1ccc([N-]S(=O)(=O)[C@@H](C)C#N)c(OC)n1	ZINC001193105480	845978447	/nfs/dbraw/zinc/97/84/47/845978447.db2.gz	XLBAWHOAONCTAL-ZETCQYMHSA-N	-1	0	271.298	0.753	20	30		CCEDRM
Cc1nnc2cc([N-]S(=O)(=O)[C@H](C)C#N)ccn12	ZINC001193106003	845979940	/nfs/dbraw/zinc/97/99/40/845979940.db2.gz	ANCBSWIIRQOXCM-SSDOTTSWSA-N	-1	0	265.298	0.692	20	30		CCEDRM
C[C@@H](C#N)S(=O)(=O)[N-]c1ccn2ccnc2c1	ZINC001193112437	845981173	/nfs/dbraw/zinc/98/11/73/845981173.db2.gz	TVRJQPOUUCNTJJ-QMMMGPOBSA-N	-1	0	250.283	0.988	20	30		CCEDRM
C[C@@H](C#N)S(=O)(=O)[N-]c1cc(F)cnc1C#N	ZINC001193112690	845982514	/nfs/dbraw/zinc/98/25/14/845982514.db2.gz	VBRRBEHQJOLMQC-LURJTMIESA-N	-1	0	254.246	0.746	20	30		CCEDRM
C[C@H](C#N)S(=O)(=O)[N-]c1ccc(C(N)=O)cc1O	ZINC001193160462	846009620	/nfs/dbraw/zinc/00/96/20/846009620.db2.gz	CYOUKMOZVNSXOJ-ZCFIWIBFSA-N	-1	0	269.282	0.145	20	30		CCEDRM
N#Cc1cncc([N-]S(=O)(=O)C[C@@H]2CCCO2)n1	ZINC001193206113	846019442	/nfs/dbraw/zinc/01/94/42/846019442.db2.gz	QAKOBFJFUBMPFK-VIFPVBQESA-N	-1	0	268.298	0.269	20	30		CCEDRM
N#Cc1cc(N)c(NC(=O)c2cc(=O)[nH][n-]2)cc1C#N	ZINC001193470605	846086338	/nfs/dbraw/zinc/08/63/38/846086338.db2.gz	ZMCYGLBSXMLIKE-UHFFFAOYSA-N	-1	0	268.236	0.693	20	30		CCEDRM
N#Cc1ccnnc1[N-]S(=O)(=O)CC1CCC1	ZINC001193479959	846090046	/nfs/dbraw/zinc/09/00/46/846090046.db2.gz	LXLNDHMVSYQMPS-UHFFFAOYSA-N	-1	0	252.299	0.890	20	30		CCEDRM
Cc1noc([N-]S(=O)(=O)c2nccn2C)c1C#N	ZINC001193548847	846115255	/nfs/dbraw/zinc/11/52/55/846115255.db2.gz	BNSBNZXJLBXYDE-UHFFFAOYSA-N	-1	0	267.270	0.389	20	30		CCEDRM
COC(=O)[C@H](CS)NC(=O)c1cccc(C#N)c1[O-]	ZINC001193658006	846140295	/nfs/dbraw/zinc/14/02/95/846140295.db2.gz	PMZVDUUZAPQINH-VIFPVBQESA-N	-1	0	280.305	0.465	20	30		CCEDRM
C[C@@H]1COCCN1CCNC(=O)c1cccc(C#N)c1[O-]	ZINC001193660543	846140663	/nfs/dbraw/zinc/14/06/63/846140663.db2.gz	ZMSUIKUYHJARPN-LLVKDONJSA-N	-1	0	289.335	0.714	20	30		CCEDRM
C#Cc1cc([N-]S(=O)(=O)c2cccnc2OC)ccn1	ZINC001194672649	846354755	/nfs/dbraw/zinc/35/47/55/846354755.db2.gz	WFLRYOBICXWMHV-UHFFFAOYSA-N	-1	0	289.316	0.689	20	30		CCEDRM
N#C[C@H](NC(=O)c1c([O-])c(F)c(F)c(F)c1F)C(N)=O	ZINC001195311167	846502542	/nfs/dbraw/zinc/50/25/42/846502542.db2.gz	OMLWASZBGZVFFE-REOHCLBHSA-N	-1	0	291.160	0.056	20	30		CCEDRM
C[C@]1(CO)CCN(C(=O)c2ccc(C#N)cc2[O-])C[C@@H]1O	ZINC001195741164	846619271	/nfs/dbraw/zinc/61/92/71/846619271.db2.gz	PXWZQUNLUSLMFZ-DZGCQCFKSA-N	-1	0	290.319	0.469	20	30		CCEDRM
CCOC(=O)CS(=O)(=O)[N-]c1cc(OC)ccc1C#N	ZINC001195973260	846657188	/nfs/dbraw/zinc/65/71/88/846657188.db2.gz	NCBSUCUHFKMFKK-UHFFFAOYSA-N	-1	0	298.320	0.872	20	30		CCEDRM
C=CC[C@@H](NC(=O)NCc1c(C)nn(C)c1C)C(=O)[O-]	ZINC000159916370	846750800	/nfs/dbraw/zinc/75/08/00/846750800.db2.gz	MJLOZHKVGAXXFQ-LLVKDONJSA-N	-1	0	280.328	0.865	20	30		CCEDRM
Cn1ncc([N-]S(=O)(=O)Cc2cccnc2)c1C#N	ZINC001197430407	846909956	/nfs/dbraw/zinc/90/99/56/846909956.db2.gz	MHYZYBMYORQQOF-UHFFFAOYSA-N	-1	0	277.309	0.629	20	30		CCEDRM
Cc1ccnc(S(=O)(=O)[N-]c2ccnc(C#N)c2)c1	ZINC001197962749	847011425	/nfs/dbraw/zinc/01/14/25/847011425.db2.gz	DOHCYKYPVXOJPG-UHFFFAOYSA-N	-1	0	274.305	0.879	20	30		CCEDRM
Cc1ccc(S(=O)(=O)[N-]c2nnccc2C#N)cn1	ZINC001198276606	847078377	/nfs/dbraw/zinc/07/83/77/847078377.db2.gz	RCKOOWCXYBCRDH-UHFFFAOYSA-N	-1	0	275.293	0.853	20	30		CCEDRM
CN1CC2(CN(Cc3cc(C#N)ccc3[O-])C2)OCC1=O	ZINC001274666793	848536719	/nfs/dbraw/zinc/53/67/19/848536719.db2.gz	IFMPEWLCFPHIRX-UHFFFAOYSA-N	-1	0	287.319	0.307	20	30		CCEDRM
N#Cc1cc(F)cc(S(=O)(=O)N2CCC[C@H]2C(=O)[O-])c1	ZINC000718637470	849271151	/nfs/dbraw/zinc/27/11/51/849271151.db2.gz	MNLSTIPLARCFES-NSHDSACASA-N	-1	0	298.295	0.935	20	30		CCEDRM
C#CCCCNC(=O)N[C@@](CC)(COC)C(=O)[O-]	ZINC000392788311	849420995	/nfs/dbraw/zinc/42/09/95/849420995.db2.gz	CAROUFTWHCHKAL-LBPRGKRZSA-N	-1	0	256.302	0.579	20	30		CCEDRM
COC(=O)CS(=O)(=O)[N-]c1c(O)cccc1C#N	ZINC001259026229	850871289	/nfs/dbraw/zinc/87/12/89/850871289.db2.gz	LPXZAUCSPCTPHF-UHFFFAOYSA-N	-1	0	270.266	0.179	20	30		CCEDRM
C#Cc1cccnc1[N-]S(=O)(=O)c1ccn(C)n1	ZINC001259937862	851832875	/nfs/dbraw/zinc/83/28/75/851832875.db2.gz	VSUVVPXMUKEOSV-UHFFFAOYSA-N	-1	0	262.294	0.597	20	30		CCEDRM
Cc1[nH]nc(C(=O)N2CC3(C2)CCN(CC#N)CC3)c1[O-]	ZINC001050493290	853384184	/nfs/dbraw/zinc/38/41/84/853384184.db2.gz	RDJVYLDFDNEOJN-UHFFFAOYSA-N	-1	0	289.339	0.485	20	30		CCEDRM
C#CC[C@H](NC(=O)[C@H]1CS[C@@]2(C)CCC(=O)N12)C(=O)[O-]	ZINC000149892039	854007525	/nfs/dbraw/zinc/00/75/25/854007525.db2.gz	OQNJJGUJMCPWOT-RWEMILLDSA-N	-1	0	296.348	0.033	20	30		CCEDRM
C#CC[C@H](NC(=O)Cc1csc(C)n1)C(=O)[O-]	ZINC000149952375	854009657	/nfs/dbraw/zinc/00/96/57/854009657.db2.gz	GCIPRRVNTPHLHD-VIFPVBQESA-N	-1	0	252.295	0.587	20	30		CCEDRM
C=CCNC(=O)CNC(=O)CC(C)(C)CC(=O)[O-]	ZINC000393832623	854135448	/nfs/dbraw/zinc/13/54/48/854135448.db2.gz	FIKPZNSTWBPACD-UHFFFAOYSA-N	-1	0	256.302	0.296	20	30		CCEDRM
Cc1nnc([S-])n(N=Cc2ccc(CO)o2)c1=O	ZINC001116107546	855719706	/nfs/dbraw/zinc/71/97/06/855719706.db2.gz	NZRYDCUYJAHYIK-UHFFFAOYSA-N	-1	0	266.282	0.203	20	30		CCEDRM
Cc1cnn(C)c1C=Nn1c(=O)c(C)n[n-]c1=S	ZINC001117127337	855919418	/nfs/dbraw/zinc/91/94/18/855919418.db2.gz	GQGMBWNUUCRFBV-UHFFFAOYSA-N	-1	0	264.314	0.160	20	30		CCEDRM
C[C@H](CC#N)C(=O)[N-]S(=O)(=O)C[C@H]1CCOC1	ZINC001118542276	856334615	/nfs/dbraw/zinc/33/46/15/856334615.db2.gz	QJIYYRFJUCCXMR-BDAKNGLRSA-N	-1	0	260.315	0.019	20	30		CCEDRM
C=C[C@@H]1OCC[C@H]1NC(=O)c1c[n-]n2c1nccc2=O	ZINC001118771734	856437284	/nfs/dbraw/zinc/43/72/84/856437284.db2.gz	OZFGCPPLDPDASK-ZJUUUORDSA-N	-1	0	274.280	0.096	20	30		CCEDRM
C=CC[C@H](NC(=O)N[C@H]1CCO[C@@]2(CCOC2)C1)C(=O)[O-]	ZINC001119635750	856796739	/nfs/dbraw/zinc/79/67/39/856796739.db2.gz	RUNOLHRVOVJEJT-MJVIPROJSA-N	-1	0	298.339	0.653	20	30		CCEDRM
C#CCCc1cc(=O)n(-c2nc3c(cnn3C)c(=O)[nH]2)[n-]1	ZINC001119989606	856949913	/nfs/dbraw/zinc/94/99/13/856949913.db2.gz	MDILWHNQNMQSBW-UHFFFAOYSA-N	-1	0	284.279	0.575	20	30		CCEDRM
C=CC[C@@H]1CCCN(c2nnnn2CC(=O)[N-]OCC)C1	ZINC001120302220	857031763	/nfs/dbraw/zinc/03/17/63/857031763.db2.gz	XRMZZTURUIWYNK-LLVKDONJSA-N	-1	0	294.359	0.533	20	30		CCEDRM
C=CC[C@H](NC(=O)c1ccnc(OCCOC)c1)C(=O)[O-]	ZINC001325142712	913241620	/nfs/dbraw/zinc/24/16/20/913241620.db2.gz	HQWLVBUJXLVJHK-NSHDSACASA-N	-1	0	294.307	0.866	20	30		CCEDRM
C=CC[C@@H](NC(=O)c1ccc(C(=O)NC)nc1)C(=O)[O-]	ZINC001325144780	913244110	/nfs/dbraw/zinc/24/41/10/913244110.db2.gz	VCXDKYGEXHYSCC-SNVBAGLBSA-N	-1	0	277.280	0.200	20	30		CCEDRM
C=CC[C@@H]1CCN1C(=O)c1cccc(-n2[n-]nnc2=N)c1	ZINC000890549417	891416156	/nfs/dbraw/zinc/41/61/56/891416156.db2.gz	MDDZHORDQRSIOS-LLVKDONJSA-N	-1	0	284.323	0.865	20	30		CCEDRM
CSc1nccnc1C(=O)Nc1nc(C#N)c(C#N)[n-]1	ZINC001363467214	893756240	/nfs/dbraw/zinc/75/62/40/893756240.db2.gz	RPIDMSUBWUFCNU-UHFFFAOYSA-N	-1	0	285.292	0.917	20	30		CCEDRM
C=C[C@@H](C)O[N-]C(=O)C(=O)Nc1cnn(C)c1C(F)F	ZINC001326483160	913981161	/nfs/dbraw/zinc/98/11/61/913981161.db2.gz	CLWJCRVGYNDYEA-ZCFIWIBFSA-N	-1	0	288.254	0.919	20	30		CCEDRM
CC[C@@H](C)[C@@H](C)NC(=O)Cn1cc(C#N)c(=O)[n-]c1=O	ZINC001411798835	901262229	/nfs/dbraw/zinc/26/22/29/901262229.db2.gz	IPXUTBUHILJUBS-RKDXNWHRSA-N	-1	0	278.312	0.371	20	30		CCEDRM
N#Cc1ccncc1C(=O)N1CCC[C@H](c2nnn[n-]2)C1	ZINC001412056685	901430227	/nfs/dbraw/zinc/43/02/27/901430227.db2.gz	JLYAMIJBCAMTSX-JTQLQIEISA-N	-1	0	283.295	0.486	20	30		CCEDRM
N#CCc1ccc(C(=O)N2CCOC[C@@H]2c2nnn[n-]2)cc1	ZINC001412435187	901719019	/nfs/dbraw/zinc/71/90/19/901719019.db2.gz	ZCAAYWPHBGHDRJ-GFCCVEGCSA-N	-1	0	298.306	0.479	20	30		CCEDRM
N#CCC(=O)N[C@H](Cc1ccccc1)c1n[nH]c(=O)[n-]1	ZINC001412466188	901745436	/nfs/dbraw/zinc/74/54/36/901745436.db2.gz	UNEXQSSLNJBLEQ-SNVBAGLBSA-N	-1	0	271.280	0.824	20	30		CCEDRM
C=CCn1cc(C(=O)N2CC[C@@H](OC)C[C@@H]2C(=O)[O-])nn1	ZINC001327496199	914572277	/nfs/dbraw/zinc/57/22/77/914572277.db2.gz	PRNLCPLPFGLXDA-MWLCHTKSSA-N	-1	0	294.311	0.168	20	30		CCEDRM
N#C[C@@H]1CSCCN1C(=O)CSc1n[nH]c(=O)[n-]1	ZINC001412745696	902015739	/nfs/dbraw/zinc/01/57/39/902015739.db2.gz	SQPSBXIMXSULCQ-ZCFIWIBFSA-N	-1	0	285.354	0.070	20	30		CCEDRM
CSc1[n-]c(=O)c(C(=O)N2CC[C@@H](CO)C2)cc1C#N	ZINC001412774519	902109143	/nfs/dbraw/zinc/10/91/43/902109143.db2.gz	NCJMEAKULHPFMF-MRVPVSSYSA-N	-1	0	293.348	0.835	20	30		CCEDRM
N#Cc1c[n-]c(=O)n(CC(=O)c2cc(F)ccc2F)c1=O	ZINC001412923358	902356794	/nfs/dbraw/zinc/35/67/94/902356794.db2.gz	SOZPRYCYZABYNQ-UHFFFAOYSA-N	-1	0	291.213	0.569	20	30		CCEDRM
COc1cc(CNC(=O)c2c[n-]ncc2=O)ccc1C#N	ZINC001412928556	902368022	/nfs/dbraw/zinc/36/80/22/902368022.db2.gz	HSVWSYAJDJRNKE-UHFFFAOYSA-N	-1	0	284.275	0.992	20	30		CCEDRM
N#CC1(CNC(=O)Cn2c(=O)[n-][nH]c2=O)CCCCC1	ZINC001413273260	902831402	/nfs/dbraw/zinc/83/14/02/902831402.db2.gz	NTJGPNWSDQPKTH-UHFFFAOYSA-N	-1	0	279.300	0.280	20	30		CCEDRM
Cc1cc(C(=O)N2CCC(c3nnn[n-]3)CC2)ncc1C#N	ZINC001413425320	902942058	/nfs/dbraw/zinc/94/20/58/902942058.db2.gz	IJHWEVWDESJKQU-UHFFFAOYSA-N	-1	0	297.322	0.795	20	30		CCEDRM
N#Cc1cc(C(=O)N2CCC[C@H](Cc3nnn[n-]3)C2)co1	ZINC001413563024	903054744	/nfs/dbraw/zinc/05/47/44/903054744.db2.gz	RXMZQHAFKLPTEO-SECBINFHSA-N	-1	0	286.295	0.759	20	30		CCEDRM
C=CCCC(=O)NC[C@@H](C)CNC(=O)c1[nH]nc(C)c1[O-]	ZINC001285214681	905575883	/nfs/dbraw/zinc/57/58/83/905575883.db2.gz	FFZCLOIWFIJUCB-SECBINFHSA-N	-1	0	294.355	0.872	20	30		CCEDRM
Cn1c(=O)[n-]c(NCC2(C)CCCC2)c(C#N)c1=O	ZINC001337034395	921163054	/nfs/dbraw/zinc/16/30/54/921163054.db2.gz	RQIHRXIRSDBBAW-UHFFFAOYSA-N	-1	0	262.313	0.937	20	30		CCEDRM
C=C[C@@H]1CCCCN1C(=O)Cn1c(=O)[n-][nH]c1=O	ZINC001297230655	907041225	/nfs/dbraw/zinc/04/12/25/907041225.db2.gz	HCGMIBGCLJPYEC-MRVPVSSYSA-N	-1	0	252.274	0.256	20	30		CCEDRM
O=C(N[C@H]1CCN(O)C1=O)c1ccc(F)c(O)c1	ZINC001298424101	907240725	/nfs/dbraw/zinc/24/07/25/907240725.db2.gz	DPLMLYRPXWSRGQ-QMMMGPOBSA-N	-1	0	254.217	0.251	20	30		CCEDRM
N#Cc1cc(NC(=O)c2n[nH]c(=O)[n-]c2=O)ccc1F	ZINC001417630692	921470038	/nfs/dbraw/zinc/47/00/38/921470038.db2.gz	DJNDVZBCAWYAKL-UHFFFAOYSA-N	-1	0	275.199	0.546	20	30		CCEDRM
CON=Cc1ccc(C(=O)[N-]S(=O)(=O)N(C)C)cc1	ZINC001317961131	909549719	/nfs/dbraw/zinc/54/97/19/909549719.db2.gz	OUCOTYDODXNXEM-UHFFFAOYSA-N	-1	0	285.325	0.203	20	30		CCEDRM
CC#CCCCC(=O)NCC1CN(Cc2n[nH]c(=O)[n-]2)C1	ZINC001318146558	909642681	/nfs/dbraw/zinc/64/26/81/909642681.db2.gz	RXOFSAXPADQRBI-UHFFFAOYSA-N	-1	0	291.355	0.252	20	30		CCEDRM
C=CCn1c(Cc2nn[nH]n2)nnc1N(CC)CC(=C)C	ZINC001338929431	921606491	/nfs/dbraw/zinc/60/64/91/921606491.db2.gz	COGKEVNKZHXDGS-UHFFFAOYSA-N	-1	0	288.359	0.970	20	30		CCEDRM
Cc1ccc(S(=O)(=O)[N-]C(=O)CSCC#N)cn1	ZINC001338943343	921608417	/nfs/dbraw/zinc/60/84/17/921608417.db2.gz	LCFRJPIDNVLCIV-UHFFFAOYSA-N	-1	0	285.350	0.452	20	30		CCEDRM
C=C[C@](C)(CC)C(=O)NCC=CCNCc1n[nH]c(=O)[n-]1	ZINC001321229911	911177243	/nfs/dbraw/zinc/17/72/43/911177243.db2.gz	APAXRKISCDYUJP-LMVHVUTASA-N	-1	0	293.371	0.875	20	30		CCEDRM
CSCCO[N-]C(=O)C(=O)NCC#Cc1ccccc1	ZINC001321410061	911283282	/nfs/dbraw/zinc/28/32/82/911283282.db2.gz	CGKFTNRTSWDQJW-UHFFFAOYSA-N	-1	0	292.360	0.565	20	30		CCEDRM
C=CC[C@H](NC(=O)c1cccc(=O)n1C)C(=O)[O-]	ZINC001321658440	911428573	/nfs/dbraw/zinc/42/85/73/911428573.db2.gz	ROIWSOPKMHUVBD-QMMMGPOBSA-N	-1	0	250.254	0.144	20	30		CCEDRM
C=C(C)CO[N-]C(=O)C(=O)Nc1nc2n(n1)CCCC2	ZINC001328728476	915391693	/nfs/dbraw/zinc/39/16/93/915391693.db2.gz	RFMQRPNGUBLCSK-UHFFFAOYSA-N	-1	0	279.300	0.177	20	30		CCEDRM
C=CCOCCN1CCN([C@@]2(C(=O)[O-])CCOC2)CC1	ZINC001329208932	915745861	/nfs/dbraw/zinc/74/58/61/915745861.db2.gz	XKLFGBQLTCQVBH-AWEZNQCLSA-N	-1	0	284.356	0.050	20	30		CCEDRM
N#CCCCS(=O)(=O)[N-]C(=O)C1(F)CCOCC1	ZINC001329606750	916055514	/nfs/dbraw/zinc/05/55/14/916055514.db2.gz	GSEVABWBUWWDBK-UHFFFAOYSA-N	-1	0	278.305	0.255	20	30		CCEDRM
C=CC[C@H](NC(=O)[C@@H](C)N1CCSCC1)C(=O)[O-]	ZINC001332135663	917893274	/nfs/dbraw/zinc/89/32/74/917893274.db2.gz	KNGODGZFQNZZJZ-ZJUUUORDSA-N	-1	0	272.370	0.569	20	30		CCEDRM
C=CC[C@H](NC(=O)[C@H](C)N1CCSCC1)C(=O)[O-]	ZINC001332135655	917893499	/nfs/dbraw/zinc/89/34/99/917893499.db2.gz	KNGODGZFQNZZJZ-UWVGGRQHSA-N	-1	0	272.370	0.569	20	30		CCEDRM
Cc1n[nH]c(C(=O)N[C@H]2CC[C@H](CNCC#N)C2)c1[O-]	ZINC001332253161	917994585	/nfs/dbraw/zinc/99/45/85/917994585.db2.gz	KVHHAJVJPKZETF-UWVGGRQHSA-N	-1	0	277.328	0.435	20	30		CCEDRM
C=CC[C@H](NC(=O)[C@@H]1CCCc2nn(C)cc21)C(=O)[O-]	ZINC001332613746	918310761	/nfs/dbraw/zinc/31/07/61/918310761.db2.gz	NWJCBPPRPSKIHI-SKDRFNHKSA-N	-1	0	277.324	0.986	20	30		CCEDRM
CNC(=S)N(C)N=C(C)c1cncc(C(=O)[O-])c1	ZINC001333183090	918716504	/nfs/dbraw/zinc/71/65/04/918716504.db2.gz	AVRRQWFISCSANB-UHFFFAOYSA-N	-1	0	266.326	0.940	20	30		CCEDRM
C=C(C)C[C@H](NC(=O)c1c(C)cnn1C)C(=O)[O-]	ZINC001334204520	919420502	/nfs/dbraw/zinc/42/05/02/919420502.db2.gz	BDXMPGBQKYBDOD-VIFPVBQESA-N	-1	0	251.286	0.878	20	30		CCEDRM
C#CC[C@@H](NC(=O)[C@H]1CCCN(CC(F)F)C1)C(=O)[O-]	ZINC001334202529	919421692	/nfs/dbraw/zinc/42/16/92/919421692.db2.gz	NHTUEEIGNCEXBC-VHSXEESVSA-N	-1	0	288.294	0.556	20	30		CCEDRM
C=CCC(C)(C)c1noc([C@@]2(C(=O)[O-])C[NH2+]CCO2)n1	ZINC001334780162	919762712	/nfs/dbraw/zinc/76/27/12/919762712.db2.gz	UIZIDPKXFWWKSV-CYBMUJFWSA-N	-1	0	281.312	0.823	20	30		CCEDRM
C=CC[C@H](NC(=O)[C@H]1CSCCS1)C(=O)[O-]	ZINC001334980372	919880917	/nfs/dbraw/zinc/88/09/17/919880917.db2.gz	HEHIOJOLQSPTAJ-JGVFFNPUSA-N	-1	0	261.368	0.981	20	30		CCEDRM
C=CC[C@@H](NC(=O)[C@H]1CSCCS1)C(=O)[O-]	ZINC001334980370	919881445	/nfs/dbraw/zinc/88/14/45/919881445.db2.gz	HEHIOJOLQSPTAJ-HTQZYQBOSA-N	-1	0	261.368	0.981	20	30		CCEDRM
CCN1CCOC[C@@H]1C(=O)Nc1cc(C#N)ccc1[O-]	ZINC001336372064	920744522	/nfs/dbraw/zinc/74/45/22/920744522.db2.gz	ZVSCTTBZCNGVPT-GFCCVEGCSA-N	-1	0	275.308	0.923	20	30		CCEDRM
CC(C)C[C@@H](C)Nc1[n-]c(=O)n(C)c(=O)c1C#N	ZINC001336560888	920836194	/nfs/dbraw/zinc/83/61/94/920836194.db2.gz	WCXKWHBCZSXSLA-MRVPVSSYSA-N	-1	0	250.302	0.792	20	30		CCEDRM
C[C@H]1SCC[C@H]1Nc1[n-]c(=O)n(C)c(=O)c1C#N	ZINC001336664449	920915191	/nfs/dbraw/zinc/91/51/91/920915191.db2.gz	HIUZBMVKJPXJGO-HTRCEHHLSA-N	-1	0	266.326	0.251	20	30		CCEDRM
CS/C=C\C(=O)N1CC(n2cc(C#N)c(=O)[n-]c2=O)C1	ZINC001336814269	921033458	/nfs/dbraw/zinc/03/34/58/921033458.db2.gz	OOWIGUMWJPTQOK-IHWYPQMZSA-N	-1	0	292.320	0.081	20	30		CCEDRM
C#C[C@@H]1CCCN(c2nnc(-c3cc(=O)n(C)[n-]3)n2C)C1	ZINC001339839739	921846494	/nfs/dbraw/zinc/84/64/94/921846494.db2.gz	IBOJJOBFQPLYTA-SNVBAGLBSA-N	-1	0	286.339	0.771	20	30		CCEDRM
N#Cc1cccc(CC(=O)N2CCOC[C@@H]2c2nnn[n-]2)c1	ZINC001418862517	922457953	/nfs/dbraw/zinc/45/79/53/922457953.db2.gz	GIBZYNMOEMQSCT-GFCCVEGCSA-N	-1	0	298.306	0.214	20	30		CCEDRM
N#C[C@]1(C(=O)N2CCC(c3nnn[n-]3)CC2)CCCOC1	ZINC001418996518	922555526	/nfs/dbraw/zinc/55/55/26/922555526.db2.gz	CDQGXBWKWIIIPN-CYBMUJFWSA-N	-1	0	290.327	0.226	20	30		CCEDRM
N#Cc1cccc(OCC(=O)N2CC[C@H](c3nnn[n-]3)C2)c1	ZINC001419045333	922597450	/nfs/dbraw/zinc/59/74/50/922597450.db2.gz	ZHWRRUYZJLJQNF-NSHDSACASA-N	-1	0	298.306	0.466	20	30		CCEDRM
C=CCNC(=O)C(C#N)=C([O-])c1cncc(COC)c1	ZINC001343365840	923286869	/nfs/dbraw/zinc/28/68/69/923286869.db2.gz	KFIKIPFFRYQWDK-LBPRGKRZSA-N	-1	0	273.292	0.853	20	30		CCEDRM
Cc1nn2cccnc2c1C([O-])=C(C#N)C(=O)NC1CC1	ZINC001343432402	923312774	/nfs/dbraw/zinc/31/27/74/923312774.db2.gz	VMLGAPHJMUFXBA-SNVBAGLBSA-N	-1	0	283.291	0.639	20	30		CCEDRM
COc1nccc(C([O-])=C(C#N)C(=O)N2CCCC2)n1	ZINC001343474103	923338454	/nfs/dbraw/zinc/33/84/54/923338454.db2.gz	OVMCZCHFRCODNC-SECBINFHSA-N	-1	0	274.280	0.430	20	30		CCEDRM
CC[C@@H](C)n1nccc1C([O-])=C(C#N)C(=O)NCCOC	ZINC001343582382	923381126	/nfs/dbraw/zinc/38/11/26/923381126.db2.gz	KKUISGBEMVOYGI-GHMZBOCLSA-N	-1	0	292.339	0.939	20	30		CCEDRM
CNC(=O)C(C#N)=C([O-])c1cc(C(F)F)ncn1	ZINC001343623711	923393475	/nfs/dbraw/zinc/39/34/75/923393475.db2.gz	SDCASGZLBPMCJW-YFKPBYRVSA-N	-1	0	254.196	0.483	20	30		CCEDRM
Cn1ccnc1C([O-])=C(C#N)C(=O)CC1OCCO1	ZINC001344043091	923536086	/nfs/dbraw/zinc/53/60/86/923536086.db2.gz	GJLYRLCZAQQZOP-MRVPVSSYSA-N	-1	0	263.253	0.075	20	30		CCEDRM
CO[C@H](C(=O)C(C#N)=C([O-])c1nccn1C)[C@H]1CCOC1	ZINC001344059365	923544494	/nfs/dbraw/zinc/54/44/94/923544494.db2.gz	UFCFSVWUXGNQOJ-CWSCBRNRSA-N	-1	0	291.307	0.363	20	30		CCEDRM
C[C@@H](NC(=O)CCn1cc(C#N)c(=O)[n-]c1=O)C1(C)CC1	ZINC001420379682	923598317	/nfs/dbraw/zinc/59/83/17/923598317.db2.gz	HDPIEMASQYYXIR-SECBINFHSA-N	-1	0	290.323	0.515	20	30		CCEDRM
C#CC[C@@H](NC(=O)[C@H]1CCOC(C)(C)C1)C(=O)[O-]	ZINC001344537035	923629142	/nfs/dbraw/zinc/62/91/42/923629142.db2.gz	WODFBCNNNOGWMV-VHSXEESVSA-N	-1	0	253.298	0.784	20	30		CCEDRM
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C[C@]1(C#N)CCCN(C(=O)CSc2n[nH]c(=O)[n-]2)C1	ZINC001446653300	930454136	/nfs/dbraw/zinc/45/41/36/930454136.db2.gz	ISEHHALTBIQPPK-LLVKDONJSA-N	-1	0	281.341	0.755	20	30		CCEDRM
C#C[C@@H](CC)NC(=O)c1ccc(-n2[nH]c(=O)[n-]c2=O)cc1	ZINC001448959810	931037458	/nfs/dbraw/zinc/03/74/58/931037458.db2.gz	CRXXCOSCEIFXIS-JTQLQIEISA-N	-1	0	286.291	0.408	20	30		CCEDRM
N#C[C@@H](CO)NC(=O)c1cc(Cl)cc([N+](=O)[O-])c1[O-]	ZINC001449520320	931151435	/nfs/dbraw/zinc/15/14/35/931151435.db2.gz	NOEMOIXUONBGIK-LURJTMIESA-N	-1	0	285.643	0.568	20	30		CCEDRM
C=CCO[N-]C(=O)CNC(=O)COc1ccccc1	ZINC001449654095	931176335	/nfs/dbraw/zinc/17/63/35/931176335.db2.gz	HQNWBMWDIXPSHZ-UHFFFAOYSA-N	-1	0	264.281	0.415	20	30		CCEDRM
CN(CCC(=O)[O-])C(=O)C(=O)NCc1ccc(C#N)cc1	ZINC001610920749	970791198	/nfs/dbraw/zinc/79/11/98/970791198.db2.gz	WTGHNMHFXWJSRO-UHFFFAOYSA-N	-1	0	289.291	0.108	20	30		CCEDRM
N#Cc1ccc(C(=O)N[C@H](Cc2ccncc2)C(=O)[O-])[nH]1	ZINC001601093599	970931090	/nfs/dbraw/zinc/93/10/90/970931090.db2.gz	BSJMGGYBLZQSOQ-GFCCVEGCSA-N	-1	0	284.275	0.707	20	30		CCEDRM
C#CCC[C@H](O)CNC(=O)c1coc(/C=C/C(=O)[O-])c1	ZINC001602674935	971243418	/nfs/dbraw/zinc/24/34/18/971243418.db2.gz	GAOXMOUXNNPRDG-QRGHLMKCSA-N	-1	0	277.276	0.882	20	30		CCEDRM
C#C[C@@H]1CCCN(C(=O)C(=O)N2CC[C@@](C)(C(=O)[O-])C2)C1	ZINC001602674992	971244826	/nfs/dbraw/zinc/24/48/26/971244826.db2.gz	IGBLKEXSAFSCOZ-IAQYHMDHSA-N	-1	0	292.335	0.181	20	30		CCEDRM
C#CCC[C@H](O)CNC(=O)NCc1ccccc1C(=O)[O-]	ZINC001602675302	971247764	/nfs/dbraw/zinc/24/77/64/971247764.db2.gz	PTUMRVRCVWRNCI-LBPRGKRZSA-N	-1	0	290.319	0.958	20	30		CCEDRM
C#CCCCCCCN1CCS(=O)(=O)C[C@H]1C(=O)[O-]	ZINC001602675640	971251764	/nfs/dbraw/zinc/25/17/64/971251764.db2.gz	GBRCYXBMJNKMOE-LBPRGKRZSA-N	-1	0	287.381	0.754	20	30		CCEDRM
C#CCN(CC#CC)C(=O)[C@@H]1CO[C@H](CCC(=O)[O-])C1	ZINC001602679519	971260254	/nfs/dbraw/zinc/26/02/54/971260254.db2.gz	RMXXCTCZKMFWEY-QWHCGFSZSA-N	-1	0	277.320	0.741	20	30		CCEDRM
C#CCN(C)C(=O)NC[C@@H]1CCC2(CC(C(=O)[O-])C2)O1	ZINC001602679882	971262295	/nfs/dbraw/zinc/26/22/95/971262295.db2.gz	YNBAYIYYNYUOJD-CVZZAPKMSA-N	-1	0	280.324	0.673	20	30		CCEDRM
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C=C(C)COC(=O)[C@@H]1CCCN(CC(=O)[O-])C1=O	ZINC001602709909	971347932	/nfs/dbraw/zinc/34/79/32/971347932.db2.gz	LEWDFFGQKCHQIO-SECBINFHSA-N	-1	0	255.270	0.429	20	30		CCEDRM
C=C(C)Cn1c(CO)nnc1N1CC[C@@H](C(=O)[O-])[C@H](C)C1	ZINC001602711922	971352254	/nfs/dbraw/zinc/35/22/54/971352254.db2.gz	BEVPPEINAHLAPM-GHMZBOCLSA-N	-1	0	294.355	0.894	20	30		CCEDRM
C=C(CCC(=O)OC)C(=O)N(C)[C@@H](CC)C(=O)[O-]	ZINC001602712208	971354040	/nfs/dbraw/zinc/35/40/40/971354040.db2.gz	KGNUGNGDHDMUHY-VIFPVBQESA-N	-1	0	257.286	0.817	20	30		CCEDRM
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C#CCN(CC(=O)[O-])CC(=O)N[C@H](C)c1ccccc1	ZINC000092482586	949154905	/nfs/dbraw/zinc/15/49/05/949154905.db2.gz	KQAXMUFORMSYCM-GFCCVEGCSA-N	-1	0	274.320	0.884	20	30		CCEDRM
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C#CCN(CC(=O)[O-])C(=O)/C=C\c1ccc(O)cc1	ZINC000211240999	949530741	/nfs/dbraw/zinc/53/07/41/949530741.db2.gz	ASGDJGUUQKXHGN-YVMONPNESA-N	-1	0	259.261	0.952	20	30		CCEDRM
CCC[C@@H](CNC(=O)[C@@](C)(C#N)CC(=O)[O-])OC	ZINC001589632513	949568055	/nfs/dbraw/zinc/56/80/55/949568055.db2.gz	UGLXGOJYPMXCGW-JOYOIKCWSA-N	-1	0	256.302	0.922	20	30		CCEDRM
C[C@H](C(=O)[O-])C(=O)OCC(=O)NCc1ccc(C#N)cc1	ZINC001602810341	971599463	/nfs/dbraw/zinc/59/94/63/971599463.db2.gz	NTPDYOFDTATHNY-SECBINFHSA-N	-1	0	290.275	0.438	20	30		CCEDRM
C[C@@H](C(=O)[O-])C(=O)O[C@@H](C(N)=O)c1ccc(C#N)cc1	ZINC001602810500	971599891	/nfs/dbraw/zinc/59/98/91/971599891.db2.gz	PFUDTDILKOYWGN-OIBJUYFYSA-N	-1	0	276.248	0.349	20	30		CCEDRM
CC(C)CN(CCC#N)C(=O)[C@@H]1CC(C(=O)[O-])=NO1	ZINC000230758817	949709473	/nfs/dbraw/zinc/70/94/73/949709473.db2.gz	RRKYMTXOBFOUJT-JTQLQIEISA-N	-1	0	267.285	0.614	20	30		CCEDRM
CC[C@@H](CNS(=O)(=O)c1cccnc1C#N)C(=O)[O-]	ZINC000233884044	949805753	/nfs/dbraw/zinc/80/57/53/949805753.db2.gz	OMGLZOLIXZEKPE-QMMMGPOBSA-N	-1	0	283.309	0.342	20	30		CCEDRM
CCN(C(=O)C(=O)Nc1ccc(C#N)cc1)[C@@H](C)C(=O)[O-]	ZINC001589697424	950182623	/nfs/dbraw/zinc/18/26/23/950182623.db2.gz	SOVFKDYIBIEYMM-VIFPVBQESA-N	-1	0	289.291	0.818	20	30		CCEDRM
CCN([C@@H](C)C(=O)[O-])S(=O)(=O)N(C)C[C@H](C)C#N	ZINC001589713100	950338097	/nfs/dbraw/zinc/33/80/97/950338097.db2.gz	CKURZGOHYRLHAN-BDAKNGLRSA-N	-1	0	277.346	0.118	20	30		CCEDRM
CCN(C[C@@H](C)C#N)C(=O)CN(CC)[C@H](C)C(=O)[O-]	ZINC001589719347	950402217	/nfs/dbraw/zinc/40/22/17/950402217.db2.gz	DCRQRXHKXXYBAX-WDEREUQCSA-N	-1	0	269.345	0.790	20	30		CCEDRM
CCOC1(C)CN(C(=O)[C@@](C)(C#N)CC(=O)[O-])C1	ZINC001591739256	951179758	/nfs/dbraw/zinc/17/97/58/951179758.db2.gz	JUGIDPZBNPXYHR-LLVKDONJSA-N	-1	0	254.286	0.628	20	30		CCEDRM
O=C([O-])CCCC(=O)NCC#C[C@@H]1CCCCO1	ZINC001595025630	951349798	/nfs/dbraw/zinc/34/97/98/951349798.db2.gz	HWVQTSPESWPTJW-NSHDSACASA-N	-1	0	253.298	0.930	20	30		CCEDRM
O=C([O-])CN1CC[C@H](OC(=O)C#Cc2ccccc2)C1=O	ZINC001595080934	951676264	/nfs/dbraw/zinc/67/62/64/951676264.db2.gz	IVDGOXAVHMOBOZ-LBPRGKRZSA-N	-1	0	287.271	0.267	20	30		CCEDRM
CN(C)c1noc(COC(=O)[C@](C)(C#N)CC(=O)[O-])n1	ZINC001593716667	954228432	/nfs/dbraw/zinc/22/84/32/954228432.db2.gz	GWKZGLAHOFZREE-NSHDSACASA-N	-1	0	282.256	0.183	20	30		CCEDRM
CN(CCC(=O)[O-])C(=O)C(=O)Nc1sccc1C#N	ZINC001593733364	954331696	/nfs/dbraw/zinc/33/16/96/954331696.db2.gz	ZKBQEQDKTXWLET-UHFFFAOYSA-N	-1	0	281.293	0.491	20	30		CCEDRM
CC[C@H](C#N)N(CC)C(=O)c1cnc(C(=O)[O-])cn1	ZINC001589426038	954618983	/nfs/dbraw/zinc/61/89/83/954618983.db2.gz	AQQOXXMIGJDHCO-MRVPVSSYSA-N	-1	0	262.269	0.939	20	30		CCEDRM
CC[C@@H](C#N)OC(=O)[C@H]1CCCN(CC(=O)[O-])C1=O	ZINC001589426980	954636547	/nfs/dbraw/zinc/63/65/47/954636547.db2.gz	VRCRGIXTCKMAJV-IUCAKERBSA-N	-1	0	268.269	0.155	20	30		CCEDRM
COC(=O)CCN(CC#N)C(=O)C1(CC(=O)[O-])CCC1	ZINC001593835847	955179945	/nfs/dbraw/zinc/17/99/45/955179945.db2.gz	IZSJTWOFAAQZPK-UHFFFAOYSA-N	-1	0	282.296	0.547	20	30		CCEDRM
Cc1onc(CC(=O)NC2(CC(=O)[O-])CCC2)c1C#N	ZINC001594510438	955383893	/nfs/dbraw/zinc/38/38/93/955383893.db2.gz	WUWBGIDQVGGJNO-UHFFFAOYSA-N	-1	0	277.280	0.911	20	30		CCEDRM
Cn1c(C#N)ccc1C(=O)N1CC[C@](C)(C(=O)[O-])C1	ZINC001594524261	955490736	/nfs/dbraw/zinc/49/07/36/955490736.db2.gz	DQNJINYFLBPTJK-ZDUSSCGKSA-N	-1	0	261.281	0.834	20	30		CCEDRM
C[C@@H](CN1CCOCC1)OC(=O)[C@](C)(C#N)CC(=O)[O-]	ZINC001589038698	955571949	/nfs/dbraw/zinc/57/19/49/955571949.db2.gz	GVVWEZLIEBAJLT-GWCFXTLKSA-N	-1	0	284.312	0.255	20	30		CCEDRM
C[C@H](CNC(=O)N1CCN(C2CC2)[C@@H](C#N)C1)C(=O)[O-]	ZINC001589049777	955648661	/nfs/dbraw/zinc/64/86/61/955648661.db2.gz	IGJMPHXVYCJFRY-KOLCDFICSA-N	-1	0	280.328	0.089	20	30		CCEDRM
Cn1nc(C(=O)[O-])cc1C(=O)N1CCC[C@H](CC#N)C1	ZINC001594564536	955825808	/nfs/dbraw/zinc/82/58/08/955825808.db2.gz	XZIZATSLFSIXKS-SECBINFHSA-N	-1	0	276.296	0.884	20	30		CCEDRM
CO[C@H](C(=O)[O-])C(=O)N(CCC#N)Cc1ccco1	ZINC001593902168	955881204	/nfs/dbraw/zinc/88/12/04/955881204.db2.gz	MKJTVWUUUOAIQV-JTQLQIEISA-N	-1	0	266.253	0.621	20	30		CCEDRM
Cn1ncc(C(=O)[O-])c1CN=Nc1ncncc1F	ZINC001594578875	955945841	/nfs/dbraw/zinc/94/58/41/955945841.db2.gz	GBQVPWMSVNQDMD-UHFFFAOYSA-N	-1	0	264.220	0.493	20	30		CCEDRM
CO[C@](C)(C(=O)[O-])C(=O)N[C@@H](CC#N)C(F)(F)F	ZINC001593925074	956110577	/nfs/dbraw/zinc/11/05/77/956110577.db2.gz	JSGIIFVFZLHIKV-XNCJUZBTSA-N	-1	0	268.191	0.437	20	30		CCEDRM
N#C[C@H](C(=O)COCC(=O)[O-])C(=O)Nc1ccccc1	ZINC001594600912	956127315	/nfs/dbraw/zinc/12/73/15/956127315.db2.gz	HPPNNMCSSQBUJL-SNVBAGLBSA-N	-1	0	276.248	0.435	20	30		CCEDRM
N#C[C@H](CO)NC(=O)C1(C(=O)[O-])CCCCCC1	ZINC001594601158	956131698	/nfs/dbraw/zinc/13/16/98/956131698.db2.gz	IWFUVOHNISQKAY-SECBINFHSA-N	-1	0	254.286	0.412	20	30		CCEDRM
N#CC1(NC(=O)C[N@H+]2C[C@@H](C(=O)[O-])[C@H](C3CC3)C2)CCC1	ZINC001594601358	956134296	/nfs/dbraw/zinc/13/42/96/956134296.db2.gz	BEBWBISKNDWZRR-NWDGAFQWSA-N	-1	0	291.351	0.591	20	30		CCEDRM
N#CC1(NC(=O)CN2CCC[C@@H]2C(=O)[O-])CCC1	ZINC001594602245	956144189	/nfs/dbraw/zinc/14/41/89/956144189.db2.gz	KZWBXAMKTCLEGA-SECBINFHSA-N	-1	0	251.286	0.098	20	30		CCEDRM
N#CC[C@@H](OC(=O)COCC(=O)[O-])c1ccco1	ZINC001594605575	956167594	/nfs/dbraw/zinc/16/75/94/956167594.db2.gz	FUCNNNLFKQSEAR-SECBINFHSA-N	-1	0	253.210	0.879	20	30		CCEDRM
N#CCCCC(=O)NCC1(C(=O)[O-])CCOCC1	ZINC001594605688	956171040	/nfs/dbraw/zinc/17/10/40/956171040.db2.gz	HKZIIJDEPLPCNU-UHFFFAOYSA-N	-1	0	254.286	0.678	20	30		CCEDRM
N#CC[C@H](NC(=O)C1(C(=O)[O-])CC1)C(F)(F)F	ZINC001594606051	956175796	/nfs/dbraw/zinc/17/57/96/956175796.db2.gz	NKKNSKHZDBWUBP-YFKPBYRVSA-N	-1	0	250.176	0.812	20	30		CCEDRM
N#CCC1(O)CN(C(=O)Nc2cccc(C(=O)[O-])c2)C1	ZINC001594606182	956178577	/nfs/dbraw/zinc/17/85/77/956178577.db2.gz	PYYPANXMBZLGOM-UHFFFAOYSA-N	-1	0	275.264	0.877	20	30		CCEDRM
N#Cc1cc(C(=O)O[C@H]2CCN(CC(=O)[O-])C2=O)cs1	ZINC001594617073	956246238	/nfs/dbraw/zinc/24/62/38/956246238.db2.gz	XAYGRRDPLYBNKZ-VIFPVBQESA-N	-1	0	294.288	0.462	20	30		CCEDRM
N#Cc1ccc(CCNC(=O)[C@@H]2CC(C(=O)[O-])=NO2)cc1	ZINC001594618235	956261497	/nfs/dbraw/zinc/26/14/97/956261497.db2.gz	JRHCVDNJRXMAPY-LBPRGKRZSA-N	-1	0	287.275	0.446	20	30		CCEDRM
N#Cc1ccc2c(c1)CCN2C(=O)COCC(=O)[O-]	ZINC001594626780	956320330	/nfs/dbraw/zinc/32/03/30/956320330.db2.gz	HZCDJTAXBZSGCL-UHFFFAOYSA-N	-1	0	260.249	0.549	20	30		CCEDRM
C[C@@](O)(CNc1ncc(C#N)cc1[N+](=O)[O-])C(=O)[O-]	ZINC001589148475	956321571	/nfs/dbraw/zinc/32/15/71/956321571.db2.gz	SDLGHRDGPBIIFL-SNVBAGLBSA-N	-1	0	266.213	0.109	20	30		CCEDRM
N#Cc1ccsc1C(=O)NCCOCCOCC(=O)[O-]	ZINC001594631818	956346654	/nfs/dbraw/zinc/34/66/54/956346654.db2.gz	OCBUFWQVVJCPKG-UHFFFAOYSA-N	-1	0	298.320	0.467	20	30		CCEDRM
N#Cc1ncn(CC(=O)N2CCCC[C@H]2CCC(=O)[O-])n1	ZINC001594635777	956372268	/nfs/dbraw/zinc/37/22/68/956372268.db2.gz	VDXBVLKAMFCNKG-JTQLQIEISA-N	-1	0	291.311	0.396	20	30		CCEDRM
C[C@@H](OC(=O)[C@]1(C(=O)[O-])C[C@H]1C)C(=O)N(C)CCC#N	ZINC001589159331	956394728	/nfs/dbraw/zinc/39/47/28/956394728.db2.gz	LTTHYLZHTCPDMT-JRKPZEMJSA-N	-1	0	282.296	0.401	20	30		CCEDRM
CC(C)c1nnc(CNC(=O)[C@@](C)(C#N)CC(=O)[O-])n1C	ZINC001603109591	972186136	/nfs/dbraw/zinc/18/61/36/972186136.db2.gz	HHYMHGPUUNIMMR-CYBMUJFWSA-N	-1	0	293.327	0.559	20	30		CCEDRM
C[C@]1(C#N)CCN(CN2C[C@H](C(=O)[O-])CC2=O)C1	ZINC001589182271	956535108	/nfs/dbraw/zinc/53/51/08/956535108.db2.gz	XFRDVLVKLJLGNN-BXKDBHETSA-N	-1	0	251.286	0.113	20	30		CCEDRM
C[C@@]1(C(=O)[O-])CCN(C(=O)c2cnccc2C#N)C1	ZINC001589196568	956614402	/nfs/dbraw/zinc/61/44/02/956614402.db2.gz	XCKITWABEVKHIE-CYBMUJFWSA-N	-1	0	259.265	0.890	20	30		CCEDRM
C[C@]1(C(=O)[O-])CCN(C(=O)c2cnccc2C#N)C1	ZINC001589196569	956614621	/nfs/dbraw/zinc/61/46/21/956614621.db2.gz	XCKITWABEVKHIE-ZDUSSCGKSA-N	-1	0	259.265	0.890	20	30		CCEDRM
C[C@@H](CC#N)OC(=O)c1cccn(CC(=O)[O-])c1=O	ZINC001603119197	972200725	/nfs/dbraw/zinc/20/07/25/972200725.db2.gz	SYLGHCYHRNZHBM-QMMMGPOBSA-N	-1	0	264.237	0.392	20	30		CCEDRM
CC1(C)C[C@@]1(C(=O)[O-])C(=O)NCC1(C#N)CCOCC1	ZINC001589218521	956744690	/nfs/dbraw/zinc/74/46/90/956744690.db2.gz	WMYRJNXEAJSJRK-AWEZNQCLSA-N	-1	0	280.324	0.924	20	30		CCEDRM
CN(Cc1cccc(C#N)c1)C(=O)COCC(=O)[O-]	ZINC000041073368	957385403	/nfs/dbraw/zinc/38/54/03/957385403.db2.gz	RSPRJQOYDCVVFJ-UHFFFAOYSA-N	-1	0	262.265	0.618	20	30		CCEDRM
COc1cc(C#N)ccc1C(=O)N[C@@]1(C(=O)[O-])CCOC1	ZINC001594049345	957965468	/nfs/dbraw/zinc/96/54/68/957965468.db2.gz	NYCPYEIWTFLEBG-AWEZNQCLSA-N	-1	0	290.275	0.540	20	30		CCEDRM
C#C[C@@H]1COCCN1C(=O)Cc1ccccc1C(=O)[O-]	ZINC001588383489	957968072	/nfs/dbraw/zinc/96/80/72/957968072.db2.gz	BDNIEJNZMHOHNU-GFCCVEGCSA-N	-1	0	273.288	0.788	20	30		CCEDRM
C#C[C@@H]1CCCCN1C(=O)C(=O)NCCCCCC(=O)[O-]	ZINC001588385365	957969286	/nfs/dbraw/zinc/96/92/86/957969286.db2.gz	FKXKICOTQIRETJ-GFCCVEGCSA-N	-1	0	294.351	0.762	20	30		CCEDRM
C#C[C@H]1CCCN(C(=O)C(=O)NCCC(C)(C)C(=O)[O-])C1	ZINC001588385441	957971038	/nfs/dbraw/zinc/97/10/38/957971038.db2.gz	FXNYHDAQASKGKI-NSHDSACASA-N	-1	0	294.351	0.475	20	30		CCEDRM
C#CC1(O)CCN(C(=O)[C@@H]2CO[C@H](CCC(=O)[O-])C2)CC1	ZINC001588386000	957974660	/nfs/dbraw/zinc/97/46/60/957974660.db2.gz	MTGUQXQSEHMYNV-NWDGAFQWSA-N	-1	0	295.335	0.243	20	30		CCEDRM
C#C[C@H](NC(=O)[C@@]1(C(=O)[O-])CCCO1)C1CCOCC1	ZINC001588386934	957982848	/nfs/dbraw/zinc/98/28/48/957982848.db2.gz	DWZNZOULEWJLIO-SMDDNHRTSA-N	-1	0	281.308	0.165	20	30		CCEDRM
C#CC[C@H](COC)OC(=O)c1ccc(C(=O)[O-])cn1	ZINC001588388812	958001451	/nfs/dbraw/zinc/00/14/51/958001451.db2.gz	HBNFWXAPKFYFGT-SNVBAGLBSA-N	-1	0	263.249	0.975	20	30		CCEDRM
C#CCCN(CCOC)C(=O)c1cc(C(=O)[O-])nn1C	ZINC001588390975	958018860	/nfs/dbraw/zinc/01/88/60/958018860.db2.gz	XVMBBPKVYDMUCT-UHFFFAOYSA-N	-1	0	279.296	0.230	20	30		CCEDRM
C#CCCCCC(=O)N[C@H]1CCCCN(CC(=O)[O-])C1=O	ZINC001588391101	958019315	/nfs/dbraw/zinc/01/93/15/958019315.db2.gz	ANIOBZIXLPZKBH-LBPRGKRZSA-N	-1	0	294.351	0.762	20	30		CCEDRM
C#CC[C@@H]1CCN(C(=O)NCCOCC(=O)[O-])C1	ZINC001588391472	958023707	/nfs/dbraw/zinc/02/37/07/958023707.db2.gz	HSQUSCGQNIUOLC-SNVBAGLBSA-N	-1	0	254.286	0.142	20	30		CCEDRM
C#CCC1(NC(=O)[C@H](OC)C(=O)[O-])CCCCC1	ZINC001588392140	958030346	/nfs/dbraw/zinc/03/03/46/958030346.db2.gz	TVXRLGMJTZFURI-JTQLQIEISA-N	-1	0	253.298	0.928	20	30		CCEDRM
C#CCCCC(=O)N(CCNC(C)=O)[C@H](C)C(=O)[O-]	ZINC001588392400	958032670	/nfs/dbraw/zinc/03/26/70/958032670.db2.gz	ZNPQZIYWGJPNCH-SNVBAGLBSA-N	-1	0	268.313	0.228	20	30		CCEDRM
C#CCN(CC(=O)[O-])C(=O)C(=O)Nc1cc(C)cc(C)c1	ZINC001588394623	958034255	/nfs/dbraw/zinc/03/42/55/958034255.db2.gz	GGTJYFVTIRKVHE-UHFFFAOYSA-N	-1	0	288.303	0.788	20	30		CCEDRM
C#CCCn1nnnc1N1C[C@H](C(=O)[O-])C[C@H](C)C1	ZINC001588396637	958051963	/nfs/dbraw/zinc/05/19/63/958051963.db2.gz	WRCGOJTZKYRFKP-VHSXEESVSA-N	-1	0	263.301	0.243	20	30		CCEDRM
C#CCN(CC(=O)[O-])C(=O)C1(C#N)CCSCC1	ZINC001588397446	958058109	/nfs/dbraw/zinc/05/81/09/958058109.db2.gz	INBNFMQDQPTEPA-UHFFFAOYSA-N	-1	0	266.322	0.570	20	30		CCEDRM
C#CCN(CC(=O)[O-])C(=O)[C@](C)(OC)C(=O)OC(C)(C)C	ZINC001588397757	958063483	/nfs/dbraw/zinc/06/34/83/958063483.db2.gz	SWKXODUTMTWBCH-AWEZNQCLSA-N	-1	0	299.323	0.280	20	30		CCEDRM
C#CCN(CC(=O)[O-])C(=O)/C=C/c1cncc(F)c1	ZINC001588399384	958072764	/nfs/dbraw/zinc/07/27/64/958072764.db2.gz	JNCWVYCIPBVENG-ONEGZZNKSA-N	-1	0	262.240	0.780	20	30		CCEDRM
C#CCN(CC(=O)[O-])C(=O)CCc1cncc(C)c1	ZINC001588401853	958085297	/nfs/dbraw/zinc/08/52/97/958085297.db2.gz	FIHTWCFWWVBDOY-UHFFFAOYSA-N	-1	0	260.293	0.869	20	30		CCEDRM
C#CCN(CC(=O)[O-])C(=O)C[C@H]1NC(=O)c2ccccc21	ZINC001588401796	958085656	/nfs/dbraw/zinc/08/56/56/958085656.db2.gz	CZGUOWQWLLZGHI-GFCCVEGCSA-N	-1	0	286.287	0.408	20	30		CCEDRM
C#CCN(CC(=O)[O-])C(=O)NC[C@H]1COC2(CCCC2)O1	ZINC001588408513	958111349	/nfs/dbraw/zinc/11/13/49/958111349.db2.gz	QHMHLZJXTZQSDA-NSHDSACASA-N	-1	0	296.323	0.402	20	30		CCEDRM
C#CCN(CC(=O)[O-])C(=O)c1ccc(C=O)s1	ZINC001588416036	958161597	/nfs/dbraw/zinc/16/15/97/958161597.db2.gz	FZUMTGCZORFNPM-UHFFFAOYSA-N	-1	0	251.263	0.721	20	30		CCEDRM
C#CCN(CC(=O)[O-])C(=O)c1ccc(NC(C)=O)cn1	ZINC001588416835	958166261	/nfs/dbraw/zinc/16/62/61/958166261.db2.gz	VHPQIYNIGOXICK-UHFFFAOYSA-N	-1	0	275.264	0.200	20	30		CCEDRM
C#CCN(CC(=O)[O-])C(=O)c1ccccc1Cn1ccnn1	ZINC001588419140	958192977	/nfs/dbraw/zinc/19/29/77/958192977.db2.gz	SWVUKKXFKVZNNI-UHFFFAOYSA-N	-1	0	298.302	0.486	20	30		CCEDRM
C#CCN(CC(=O)[O-])[C@@H](C)C(=O)NC(=O)NC(C)(C)C	ZINC001588420279	958202972	/nfs/dbraw/zinc/20/29/72/958202972.db2.gz	TYAHVACAELQJEF-VIFPVBQESA-N	-1	0	283.328	0.019	20	30		CCEDRM
C#CCN(CC(=O)[O-])C[C@@H]1[C@H](C(=O)OC)C1(F)F	ZINC001588423740	958207090	/nfs/dbraw/zinc/20/70/90/958207090.db2.gz	DOMZFSHPUBNFBZ-VXNVDRBHSA-N	-1	0	261.224	0.061	20	30		CCEDRM
C#CCN(CC(=O)[O-])Cc1cccc(C(=O)OC)c1	ZINC001588424302	958212054	/nfs/dbraw/zinc/21/20/54/958212054.db2.gz	NQCNOCZRBFFSQH-UHFFFAOYSA-N	-1	0	261.277	0.993	20	30		CCEDRM
C#CCN(CC(=O)[O-])c1nnc([C@@H]2C[C@@H]2C#N)n1CC=C	ZINC001588426869	958234859	/nfs/dbraw/zinc/23/48/59/958234859.db2.gz	FHSABXVYBXWRPF-GHMZBOCLSA-N	-1	0	285.307	0.615	20	30		CCEDRM
C#CCN(CC(=O)[O-])c1nnc([C@H](OC)C2CC2)n1C	ZINC001588426928	958236576	/nfs/dbraw/zinc/23/65/76/958236576.db2.gz	HGZCMAYBJDUUAW-LLVKDONJSA-N	-1	0	278.312	0.437	20	30		CCEDRM
C#CCN(CC(=O)[O-])c1nnc(CCC(C)C)n1C	ZINC001588427078	958240364	/nfs/dbraw/zinc/24/03/64/958240364.db2.gz	LPWMXQOLBGUNEF-UHFFFAOYSA-N	-1	0	264.329	0.928	20	30		CCEDRM
C#CCN(CC(=O)[O-])c1nnc(C[C@H](C)O)n1CC(=C)C	ZINC001588427269	958242942	/nfs/dbraw/zinc/24/29/42/958242942.db2.gz	RUWDKCXHZRHMKR-NSHDSACASA-N	-1	0	292.339	0.302	20	30		CCEDRM
C=C(C)CONC(=O)N(CCOC)CCC(=O)[O-]	ZINC001588440411	958330916	/nfs/dbraw/zinc/33/09/16/958330916.db2.gz	YSZCMJKKJPHWCC-UHFFFAOYSA-N	-1	0	260.290	0.627	20	30		CCEDRM
C=C(C)CONC(=O)N[C@@H]1CCCCN(CC(=O)[O-])C1=O	ZINC001588440392	958331259	/nfs/dbraw/zinc/33/12/59/958331259.db2.gz	YJKLVHPVOYKXMD-SNVBAGLBSA-N	-1	0	299.327	0.259	20	30		CCEDRM
C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)[C@@](C)(OC)C(=O)[O-]	ZINC001588441071	958333616	/nfs/dbraw/zinc/33/36/16/958333616.db2.gz	FGMVNGLMRFCCQU-GBIKHYSHSA-N	-1	0	271.313	0.574	20	30		CCEDRM
C=C(C)[C@@H](CC(=O)N1CCN(C(=O)C(=O)[O-])CC1)OCC	ZINC001588441218	958335501	/nfs/dbraw/zinc/33/55/01/958335501.db2.gz	HMFCTULYKCHJGF-LLVKDONJSA-N	-1	0	298.339	0.113	20	30		CCEDRM
C=C(C)Cn1c([C@@H](C)O)nnc1N1CC[C@H](C(=O)[O-])C1	ZINC001588443912	958359030	/nfs/dbraw/zinc/35/90/30/958359030.db2.gz	ZWWJAUKKNPWVSF-ZJUUUORDSA-N	-1	0	280.328	0.818	20	30		CCEDRM
C=C(CC(C)C)C(=O)N1CCN(C(=O)C(=O)[O-])CC1	ZINC001588444874	958369767	/nfs/dbraw/zinc/36/97/67/958369767.db2.gz	WTSNJYRVUSHSDG-UHFFFAOYSA-N	-1	0	268.313	0.344	20	30		CCEDRM
C=C[C@@H](OC(=O)C1(C(=O)[O-])CCSCC1)C(=O)OC	ZINC001588452150	958418253	/nfs/dbraw/zinc/41/82/53/958418253.db2.gz	JSPSTOAIADILFO-MRVPVSSYSA-N	-1	0	288.321	0.855	20	30		CCEDRM
C=C[C@@H](OC(=O)C1(C(=O)[O-])CCC1)C(=O)OCC	ZINC001588452158	958418983	/nfs/dbraw/zinc/41/89/83/958418983.db2.gz	KLACFBFZFCCAHI-MRVPVSSYSA-N	-1	0	256.254	0.902	20	30		CCEDRM
C=C[C@@H](COC)NC(=O)c1cnc(C(=O)[O-])cn1	ZINC001588452235	958420075	/nfs/dbraw/zinc/42/00/75/958420075.db2.gz	LQLDHSFDBXQVSQ-ZETCQYMHSA-N	-1	0	251.242	0.106	20	30		CCEDRM
C=CC[C@@H](CO)CNC(=O)C1(CC(=O)[O-])CCOCC1	ZINC001588452490	958423826	/nfs/dbraw/zinc/42/38/26/958423826.db2.gz	BSXBDKIUHQBCFT-LLVKDONJSA-N	-1	0	285.340	0.559	20	30		CCEDRM
C#CCN(CC(=O)[O-])S(=O)(=O)C[C@H]1CCC(F)(F)C1	ZINC001573321090	958480336	/nfs/dbraw/zinc/48/03/36/958480336.db2.gz	RLISLKBVZIKFLV-VIFPVBQESA-N	-1	0	295.307	0.771	20	30		CCEDRM
C=CCN(C)C(=O)C(=O)N1CCC[C@H](CC(=O)[O-])C1	ZINC001588463273	958483368	/nfs/dbraw/zinc/48/33/68/958483368.db2.gz	JKQOCPPXOWNFMY-SNVBAGLBSA-N	-1	0	268.313	0.344	20	30		CCEDRM
C=CCN1CC[C@@H](N(C)C(=O)[C@H]2CC[C@H]2C(=O)[O-])C1=O	ZINC001588464294	958491843	/nfs/dbraw/zinc/49/18/43/958491843.db2.gz	NFVWCQLDEWVEMW-HBNTYKKESA-N	-1	0	280.324	0.343	20	30		CCEDRM
C=CCn1c(-c2cn[nH]c2)nnc1N1CC[C@H](C(=O)[O-])C1	ZINC001588470310	958525172	/nfs/dbraw/zinc/52/51/72/958525172.db2.gz	JFGIBNVIOKOXNS-VIFPVBQESA-N	-1	0	288.311	0.765	20	30		CCEDRM
C=CCn1c([C@@H](C)O)nnc1N1CC[C@@](C)(C(=O)[O-])C1	ZINC001588474132	958553141	/nfs/dbraw/zinc/55/31/41/958553141.db2.gz	DJEHWWGAEHLCPA-NOZJJQNGSA-N	-1	0	280.328	0.818	20	30		CCEDRM
C[C@](C#N)(CC(=O)[O-])C(=O)NCc1ccc2nonc2c1	ZINC001573363311	958606585	/nfs/dbraw/zinc/60/65/85/958606585.db2.gz	IXIKGNWYZBENMX-CYBMUJFWSA-N	-1	0	288.263	0.844	20	30		CCEDRM
C[C@@](C#N)(CC(=O)[O-])C(=O)Nc1csc(C(N)=O)c1	ZINC001573364187	958613023	/nfs/dbraw/zinc/61/30/23/958613023.db2.gz	NPDHVGFCFOYWJV-NSHDSACASA-N	-1	0	281.293	0.790	20	30		CCEDRM
CC(=O)N1CCC(NC(=O)[C@](C)(C#N)CC(=O)[O-])CC1	ZINC001588494753	958668928	/nfs/dbraw/zinc/66/89/28/958668928.db2.gz	RQICBZWDYZICIE-ZDUSSCGKSA-N	-1	0	281.312	0.118	20	30		CCEDRM
COc1ccc(C#N)cc1CN1CCOC[C@@H]1C(=O)[O-]	ZINC000131461780	958749618	/nfs/dbraw/zinc/74/96/18/958749618.db2.gz	IPOJQYKCPOUNCG-GFCCVEGCSA-N	-1	0	276.292	0.852	20	30		CCEDRM
C[C@@H](C#N)CN(C)S(=O)(=O)c1scnc1C(=O)[O-]	ZINC000134689408	958851664	/nfs/dbraw/zinc/85/16/64/958851664.db2.gz	FOAHMBSJYUZTLP-LURJTMIESA-N	-1	0	289.338	0.621	20	30		CCEDRM
COc1nccnc1N=NCc1cccn1CC(=O)[O-]	ZINC001594159546	958872487	/nfs/dbraw/zinc/87/24/87/958872487.db2.gz	PKPBGCBDHMIOOF-UHFFFAOYSA-N	-1	0	275.268	0.817	20	30		CCEDRM
C[C@@](C#N)(CC(=O)[O-])C(=O)N1CC[C@H]2CC[C@@H](C1)[S@@]2=O	ZINC001588534960	958927133	/nfs/dbraw/zinc/92/71/33/958927133.db2.gz	LHDUMEQUGBRROZ-KOITXBTMSA-N	-1	0	298.364	0.503	20	30		CCEDRM
CC(C)(CC#N)CNC(=O)c1cccn(CC(=O)[O-])c1=O	ZINC001573467914	958943102	/nfs/dbraw/zinc/94/31/02/958943102.db2.gz	ZSAZAOBBKVDUSI-UHFFFAOYSA-N	-1	0	291.307	0.603	20	30		CCEDRM
C[C@@](C#N)(CC(=O)[O-])C(=O)OCCOC(F)F	ZINC001588540073	958958766	/nfs/dbraw/zinc/95/87/66/958958766.db2.gz	PCTFAVLXUDTXAX-VIFPVBQESA-N	-1	0	251.185	0.773	20	30		CCEDRM
C#CC[C@@H](NC(=O)c1ccncc1Cl)C(=O)[O-]	ZINC000149717005	959024196	/nfs/dbraw/zinc/02/41/96/959024196.db2.gz	PEJJKTDRKBPDTK-SECBINFHSA-N	-1	0	252.657	0.941	20	30		CCEDRM
C#CC[C@@H](NC(=O)c1cc(Cl)ccn1)C(=O)[O-]	ZINC000149766192	959025427	/nfs/dbraw/zinc/02/54/27/959025427.db2.gz	XTMQLKOZVZPVAN-MRVPVSSYSA-N	-1	0	252.657	0.941	20	30		CCEDRM
C[C@](C#N)(CC(=O)[O-])C(=O)NCCc1csc(=O)[nH]1	ZINC001588557226	959065211	/nfs/dbraw/zinc/06/52/11/959065211.db2.gz	HGCRDOQAMBLSHK-LLVKDONJSA-N	-1	0	283.309	0.512	20	30		CCEDRM
C#CC[C@H](NS(=O)(=O)c1cc(C)ccc1OC)C(=O)[O-]	ZINC000159579935	959118882	/nfs/dbraw/zinc/11/88/82/959118882.db2.gz	XOCCRRMEFWJPKB-JTQLQIEISA-N	-1	0	297.332	0.758	20	30		CCEDRM
C[C@@](NCC(=O)NCCC#N)(C(=O)[O-])c1ccccc1	ZINC001603246806	972403383	/nfs/dbraw/zinc/40/33/83/972403383.db2.gz	CUBPDHNFKIJRBW-AWEZNQCLSA-N	-1	0	275.308	0.606	20	30		CCEDRM
CC(C)COC1CN(C(=O)[C@@](C)(C#N)CC(=O)[O-])C1	ZINC001573522309	959124705	/nfs/dbraw/zinc/12/47/05/959124705.db2.gz	GYCMGCJLWAJMDM-CYBMUJFWSA-N	-1	0	268.313	0.874	20	30		CCEDRM
Cc1cnn([C@H]2CCN(C(=O)[C@](C)(C#N)CC(=O)[O-])C2)c1	ZINC001594434688	959215854	/nfs/dbraw/zinc/21/58/54/959215854.db2.gz	ORCURDQOVXMFRK-FZMZJTMJSA-N	-1	0	290.323	0.970	20	30		CCEDRM
N#CCNS(=O)(=O)c1ccc(C(=O)[O-])c(Cl)c1	ZINC000218568237	959786967	/nfs/dbraw/zinc/78/69/67/959786967.db2.gz	ZOYCXCDHGCPSTF-UHFFFAOYSA-N	-1	0	274.685	0.840	20	30		CCEDRM
N#Cc1cccc(CN2C[C@@H](O)C[C@@H]2C(=O)[O-])c1F	ZINC000222398660	959814307	/nfs/dbraw/zinc/81/43/07/959814307.db2.gz	PAVDXNBELCPACJ-WDEREUQCSA-N	-1	0	264.256	0.717	20	30		CCEDRM
C#CC[C@@H](NC(=O)c1cnc(Cl)cn1)C(=O)[O-]	ZINC000230069738	960124850	/nfs/dbraw/zinc/12/48/50/960124850.db2.gz	XJVSMCWCSUMLRZ-ZCFIWIBFSA-N	-1	0	253.645	0.336	20	30		CCEDRM
C=CCN(CCOC)C(=O)[C@H]1CC[C@@H](C(=O)[O-])O1	ZINC000234663368	960358799	/nfs/dbraw/zinc/35/87/99/960358799.db2.gz	SRAKUFVXWKWUDN-ZJUUUORDSA-N	-1	0	257.286	0.280	20	30		CCEDRM
C[C@@H](CN(C)S(=O)(=O)c1cccnc1C#N)C(=O)[O-]	ZINC000235096369	960386761	/nfs/dbraw/zinc/38/67/61/960386761.db2.gz	ZENVHMCESXGSTD-QMMMGPOBSA-N	-1	0	283.309	0.294	20	30		CCEDRM
CN(C)c1nc(=NN=Cc2cc(C(=O)[O-])nn2C)cc[nH]1	ZINC001604093267	972502371	/nfs/dbraw/zinc/50/23/71/972502371.db2.gz	USLYCSPHLDDZEF-UHFFFAOYSA-N	-1	0	289.299	0.420	20	30		CCEDRM
Cn1nccc1C(=O)Cn1cc(C(=O)[O-])cc(C#N)c1=O	ZINC001571029566	960462609	/nfs/dbraw/zinc/46/26/09/960462609.db2.gz	BJPJAOONIURKBC-UHFFFAOYSA-N	-1	0	286.247	0.035	20	30		CCEDRM
COc1cccc(C(=O)N2CCC(C#N)(C(=O)[O-])CC2)n1	ZINC001571035362	960524108	/nfs/dbraw/zinc/52/41/08/960524108.db2.gz	NIQZKNRYMCVVLE-UHFFFAOYSA-N	-1	0	289.291	0.921	20	30		CCEDRM
N#CC1(C(=O)[O-])CCN(C(=O)CN2CCCCC2=O)CC1	ZINC001571047911	960650015	/nfs/dbraw/zinc/65/00/15/960650015.db2.gz	JPXZJQVPUKVIDB-UHFFFAOYSA-N	-1	0	293.323	0.216	20	30		CCEDRM
Cc1c(NC(=O)[C@](C)(C#N)CC(=O)[O-])nnn1C	ZINC001574304071	960728695	/nfs/dbraw/zinc/72/86/95/960728695.db2.gz	KOYXKBVLSIHFCD-JTQLQIEISA-N	-1	0	251.246	0.067	20	30		CCEDRM
Cc1cc(C#N)nc(N2C[C@H]3COC[C@@]3(C(=O)[O-])C2)n1	ZINC001574307572	960750044	/nfs/dbraw/zinc/75/00/44/960750044.db2.gz	BINMMRFHGSQNGZ-ZANVPECISA-N	-1	0	274.280	0.194	20	30		CCEDRM
Cc1ccnc(N2C[C@H]3COC[C@@]3(C(=O)[O-])C2)c1C#N	ZINC001574411305	961291441	/nfs/dbraw/zinc/29/14/41/961291441.db2.gz	ROYSXHRUJKLVPK-HZMBPMFUSA-N	-1	0	273.292	0.799	20	30		CCEDRM
Cc1nc(CNC(=O)[C@](C)(C#N)CC(=O)[O-])[nH]c1C	ZINC001574421755	961349167	/nfs/dbraw/zinc/34/91/67/961349167.db2.gz	NXNAQCFOAPJREN-LBPRGKRZSA-N	-1	0	264.285	0.647	20	30		CCEDRM
CC(C)[C@H](CNC(=O)N1CCO[C@](C)(C#N)C1)C(=O)[O-]	ZINC001588822586	961637169	/nfs/dbraw/zinc/63/71/69/961637169.db2.gz	CIKFBBQKWWCEIS-GXFFZTMASA-N	-1	0	283.328	0.667	20	30		CCEDRM
N#C[C@H]1CCC[C@H](OC(=O)c2cn(CC(=O)[O-])nn2)C1	ZINC001574481344	961673762	/nfs/dbraw/zinc/67/37/62/961673762.db2.gz	ZNXPKGHVKSJNIY-IUCAKERBSA-N	-1	0	278.268	0.602	20	30		CCEDRM
N#Cc1cnccc1NC(=O)[C@@H]1CO[C@@H](CCC(=O)[O-])C1	ZINC001574492879	961714449	/nfs/dbraw/zinc/71/44/49/961714449.db2.gz	DGKZAHSBOFMDQB-ONGXEEELSA-N	-1	0	289.291	0.584	20	30		CCEDRM
COc1ncc(NC(=O)NC[C@@H](C)C(=O)[O-])cc1C#N	ZINC001574053853	962158873	/nfs/dbraw/zinc/15/88/73/962158873.db2.gz	GRLYHJGVZODRCS-SSDOTTSWSA-N	-1	0	278.268	0.804	20	30		CCEDRM
COC(=O)CCCCCNC(=O)[C@](C)(C#N)CC(=O)[O-]	ZINC001574055878	962180792	/nfs/dbraw/zinc/18/07/92/962180792.db2.gz	REHWROHWTWBFDZ-ZDUSSCGKSA-N	-1	0	284.312	0.841	20	30		CCEDRM
COC(=O)CN(CC#N)CCOc1ccccc1C(=O)[O-]	ZINC001574065698	962230977	/nfs/dbraw/zinc/23/09/77/962230977.db2.gz	CPCLXPJVNNKYSZ-UHFFFAOYSA-N	-1	0	292.291	0.762	20	30		CCEDRM
C#CCCCCC(=O)N1C[C@H](C)O[C@H](C(=O)[O-])C1	ZINC001573302369	962651131	/nfs/dbraw/zinc/65/11/31/962651131.db2.gz	AXLDRPDOBUDGRU-QWRGUYRKSA-N	-1	0	253.298	0.881	20	30		CCEDRM
C#CC[C@@H](NC(=O)c1coc(-c2cccnc2)n1)C(=O)[O-]	ZINC001573302972	962665972	/nfs/dbraw/zinc/66/59/72/962665972.db2.gz	IJOPBZRANPXJTO-SNVBAGLBSA-N	-1	0	285.259	0.943	20	30		CCEDRM
C#CCCCC(=O)N1CCC[C@H](NC(=O)CNC(=O)[O-])C1	ZINC001573303286	962674102	/nfs/dbraw/zinc/67/41/02/962674102.db2.gz	NFMNDRXGZAPUSV-NSHDSACASA-N	-1	0	295.339	0.165	20	30		CCEDRM
C#CC[C@@H](NS(=O)(=O)[C@@H]1C[C@H]1c1ccccc1)C(=O)[O-]	ZINC001573303488	962677533	/nfs/dbraw/zinc/67/75/33/962677533.db2.gz	ORCFFFHUHUQZTP-YNEHKIRRSA-N	-1	0	293.344	0.938	20	30		CCEDRM
C#C[C@H](NC(=O)N1C[C@H](C)O[C@H](C(=O)[O-])C1)C(C)C	ZINC001573303542	962678287	/nfs/dbraw/zinc/67/82/87/962678287.db2.gz	ZEKFKKLERFQSII-DCAQKATOSA-N	-1	0	268.313	0.528	20	30		CCEDRM
C=C(C)C(C)(C)C(=O)NCCN(C)C(=O)[C@H]1C[C@@H]1C(=O)[O-]	ZINC001573320853	962752632	/nfs/dbraw/zinc/75/26/32/962752632.db2.gz	FQJKQYLYBIOQBX-QWRGUYRKSA-N	-1	0	296.367	0.884	20	30		CCEDRM
C=C(C)C(C)(C)C(=O)NCCN(C)C(=O)[C@H]1C[C@H]1C(=O)[O-]	ZINC001573320855	962752747	/nfs/dbraw/zinc/75/27/47/962752747.db2.gz	FQJKQYLYBIOQBX-WDEREUQCSA-N	-1	0	296.367	0.884	20	30		CCEDRM
C=C(C)C[C@H](C)C(=O)N[C@@H](C)CNC(=O)CNC(=O)[O-]	ZINC001573322241	962767097	/nfs/dbraw/zinc/76/70/97/962767097.db2.gz	WSWLAHOLENKFLE-UWVGGRQHSA-N	-1	0	285.344	0.477	20	30		CCEDRM
C[C@H](CC#N)C(=O)N[C@H](Cc1ccncc1)C(=O)[O-]	ZINC001588988245	962776563	/nfs/dbraw/zinc/77/65/63/962776563.db2.gz	XZDFUKKFNBNMJR-MWLCHTKSSA-N	-1	0	261.281	0.743	20	30		CCEDRM
C=C(C)CN(CC)S(=O)(=O)c1cc(C(=O)[O-])[nH]n1	ZINC001573323902	962778242	/nfs/dbraw/zinc/77/82/42/962778242.db2.gz	JBEKMWDUFQWDKN-UHFFFAOYSA-N	-1	0	273.314	0.695	20	30		CCEDRM
C=C(C)[C@@H]1OCC[C@@H]1C(=O)NC[C@@]1(C(=O)[O-])CCOC1	ZINC001573325989	962800836	/nfs/dbraw/zinc/80/08/36/962800836.db2.gz	QBQCHLPXOCETLV-MJVIPROJSA-N	-1	0	283.324	0.575	20	30		CCEDRM
C=C(C)C[C@H](NC(C)=O)C(=O)N[C@H]1CC[C@@H](C(=O)[O-])C1	ZINC001573327143	962806751	/nfs/dbraw/zinc/80/67/51/962806751.db2.gz	GBNQWDJMKVBTQQ-WOPDTQHZSA-N	-1	0	282.340	0.827	20	30		CCEDRM
C=C(CCC(=O)[O-])C(=O)NCCCN1CCOC1=O	ZINC001573332423	962833180	/nfs/dbraw/zinc/83/31/80/962833180.db2.gz	JENGFXRIOHIKKL-UHFFFAOYSA-N	-1	0	270.285	0.366	20	30		CCEDRM
C=C(CCC(=O)[O-])C(=O)N1CCNC(=O)[C@@H]1CCC	ZINC001573333177	962853168	/nfs/dbraw/zinc/85/31/68/962853168.db2.gz	XJCVETGMAQNMRU-JTQLQIEISA-N	-1	0	268.313	0.535	20	30		CCEDRM
C=C(Cl)C[N@H+]1CC[C@H](CCNC(=O)CNC(=O)[O-])C1	ZINC001573338464	962875010	/nfs/dbraw/zinc/87/50/10/962875010.db2.gz	BMRRHMVKAAVXQM-JTQLQIEISA-N	-1	0	289.763	0.835	20	30		CCEDRM
C=C(Cl)CN(CC)CCNC(=O)[C@@H]1C[C@H]1C(=O)[O-]	ZINC001573338680	962878953	/nfs/dbraw/zinc/87/89/53/962878953.db2.gz	GBGYKRBWLMYVMO-NXEZZACHSA-N	-1	0	274.748	0.898	20	30		CCEDRM
C=C(Cl)C[C@@H](NC(=O)[C@H]1C[C@H]1C(=O)[O-])C(=O)OCC	ZINC001573339685	962892693	/nfs/dbraw/zinc/89/26/93/962892693.db2.gz	VTMMYATUDPIOLD-DJLDLDEBSA-N	-1	0	289.715	0.898	20	30		CCEDRM
Cn1c(C#N)ccc1C(=O)N[C@H]1CCC[C@H]1C(=O)[O-]	ZINC001574209001	962915393	/nfs/dbraw/zinc/91/53/93/962915393.db2.gz	LPAPLRKBAZRXIS-ZJUUUORDSA-N	-1	0	261.281	0.880	20	30		CCEDRM
C=C[C@@H](CC)CC(=O)NC[C@H](C)N(C)C(=O)CNC(=O)[O-]	ZINC001573346949	962943909	/nfs/dbraw/zinc/94/39/09/962943909.db2.gz	IBEFENMMTXNHEC-QWRGUYRKSA-N	-1	0	299.371	0.819	20	30		CCEDRM
C=C[C@](C)(O)CC(=O)N[C@](C)(COC)CC(=O)[O-]	ZINC001573347816	962952358	/nfs/dbraw/zinc/95/23/58/962952358.db2.gz	ONIRPCBSRUVOET-RYUDHWBXSA-N	-1	0	259.302	0.310	20	30		CCEDRM
C=CCC(C)(C)C(=O)NC1(CNC(=O)CNC(=O)[O-])CC1	ZINC001573351031	962974884	/nfs/dbraw/zinc/97/48/84/962974884.db2.gz	PMCMUMZNPSKMSP-UHFFFAOYSA-N	-1	0	297.355	0.621	20	30		CCEDRM
C=CCN(C)CCN(CC)S(=O)(=O)C[C@H](C)C(=O)[O-]	ZINC001573360838	963043987	/nfs/dbraw/zinc/04/39/87/963043987.db2.gz	YTBAQVVJBQYYHU-NSHDSACASA-N	-1	0	292.401	0.477	20	30		CCEDRM
C=C[C@@H](C(=O)[O-])N1CCN(CC(F)(F)F)CC1	ZINC000304240850	963131594	/nfs/dbraw/zinc/13/15/94/963131594.db2.gz	YGTRIJBXYZTZFA-QMMMGPOBSA-N	-1	0	252.236	0.806	20	30		CCEDRM
C=C[C@@H](C(=O)[O-])N1CCN(c2nccs2)CC1	ZINC000304234888	963131689	/nfs/dbraw/zinc/13/16/89/963131689.db2.gz	UXIGBYRSPZHPDL-VIFPVBQESA-N	-1	0	253.327	0.904	20	30		CCEDRM
CC(C)[C@H](NC(=O)[O-])C(=O)NCc1cncc(C#N)c1	ZINC001571005605	963240907	/nfs/dbraw/zinc/24/09/07/963240907.db2.gz	QALOIQGFOBXYOY-NSHDSACASA-N	-1	0	276.296	0.862	20	30		CCEDRM
C#CCCCCC(=O)O[C@@H]1C[C@H](C(=O)[O-])N(C)C1	ZINC001588440771	964044937	/nfs/dbraw/zinc/04/49/37/964044937.db2.gz	QALAIYAHZGTTFE-GHMZBOCLSA-N	-1	0	253.298	0.881	20	30		CCEDRM
C#CCCCNS(=O)(=O)c1cnc(C)c(C(=O)[O-])c1	ZINC001588446798	964079240	/nfs/dbraw/zinc/07/92/40/964079240.db2.gz	LNJRIMUOPPGXJS-UHFFFAOYSA-N	-1	0	282.321	0.780	20	30		CCEDRM
C#CCN(CC(=O)[O-])C(=O)NC[C@]1(C)CCOC1	ZINC000397208993	968251550	/nfs/dbraw/zinc/25/15/50/968251550.db2.gz	VZBNXNQCRDNIPM-LBPRGKRZSA-N	-1	0	254.286	0.142	20	30		CCEDRM
C#CCN(CC(=O)[O-])C(=O)N[C@@H]1CC[C@@H]2C[C@@H]2C1	ZINC000403065954	968317669	/nfs/dbraw/zinc/31/76/69/968317669.db2.gz	DRVPCPWRUUKJSL-GMTAPVOTSA-N	-1	0	250.298	0.904	20	30		CCEDRM
C[C@](C#N)(CC(=O)[O-])C(=O)N[C@H]1C[C@@H](O)C1(C)C	ZINC001609691408	970448177	/nfs/dbraw/zinc/44/81/77/970448177.db2.gz	NLZJEIHEBLYAPY-JOAULVNJSA-N	-1	0	254.286	0.267	20	30		CCEDRM
C=CC[C@H](CO)NC(=O)[C@@H]1CCC[C@H](C(=O)[O-])C1	ZINC000320559731	970679222	/nfs/dbraw/zinc/67/92/22/970679222.db2.gz	UCMJXKCMKDMMFR-OUAUKWLOSA-N	-1	0	255.314	0.931	20	30		CCEDRM
C[C@@]1(C#N)CN(C(=O)N[C@H]2CC[C@@H](C(=O)[O-])C2)CCO1	ZINC001603290023	972542113	/nfs/dbraw/zinc/54/21/13/972542113.db2.gz	AQYVBXJHBSCZPR-GBIKHYSHSA-N	-1	0	281.312	0.564	20	30		CCEDRM
CO[C@@](C)(C(=O)[O-])C(=O)Nc1nc2cc(C#N)ccc2[nH]1	ZINC001604461354	973304643	/nfs/dbraw/zinc/30/46/43/973304643.db2.gz	IIRFMFLPYIKURY-CYBMUJFWSA-N	-1	0	288.263	0.863	20	30		CCEDRM
CO[C@](C)(C(=O)[O-])C(=O)Nc1ccc(C#N)c(C)n1	ZINC001604464411	973335391	/nfs/dbraw/zinc/33/53/91/973335391.db2.gz	QFAVKIXKRJAWCW-LBPRGKRZSA-N	-1	0	263.253	0.690	20	30		CCEDRM
Cn1[nH]cc2c(=NC(=O)[C@](C)(C#N)CC(=O)[O-])ccnc1-2	ZINC001605466916	973566886	/nfs/dbraw/zinc/56/68/86/973566886.db2.gz	FMZBSWKHGYJLHK-ZDUSSCGKSA-N	-1	0	287.279	0.285	20	30		CCEDRM
Cn1cc(C#N)cc1C(=O)N[C@@H]1CC[C@H](C(=O)[O-])C1	ZINC001605481112	973597554	/nfs/dbraw/zinc/59/75/54/973597554.db2.gz	LBGAIRHBDIMVQF-VHSXEESVSA-N	-1	0	261.281	0.880	20	30		CCEDRM
N#CCCCNC(=O)[C@@H]1CO[C@@H](CCC(=O)[O-])C1	ZINC001605581479	973857024	/nfs/dbraw/zinc/85/70/24/973857024.db2.gz	AFNUDAPXSVUJBL-UWVGGRQHSA-N	-1	0	254.286	0.676	20	30		CCEDRM
N#CCCCNC(=O)[C@H]1CO[C@@H](CCC(=O)[O-])C1	ZINC001605581481	973857152	/nfs/dbraw/zinc/85/71/52/973857152.db2.gz	AFNUDAPXSVUJBL-ZJUUUORDSA-N	-1	0	254.286	0.676	20	30		CCEDRM
C#C[C@@H](C)NC(=O)N1CCC2(C[C@@H]2C(=O)[O-])CC1	ZINC000405380573	973860201	/nfs/dbraw/zinc/86/02/01/973860201.db2.gz	GNDKYFHKZDPXIE-NXEZZACHSA-N	-1	0	250.298	0.904	20	30		CCEDRM
N#C[C@@H]1CSCCN1C(=O)c1cc(C(=O)[O-])n[nH]1	ZINC001605581727	973861144	/nfs/dbraw/zinc/86/11/44/973861144.db2.gz	JROMYCGNUMYNHW-ZCFIWIBFSA-N	-1	0	266.282	0.189	20	30		CCEDRM
N#CCC1(O)CN(C(=O)c2ccc(OCC(=O)[O-])cc2)C1	ZINC001605582195	973863971	/nfs/dbraw/zinc/86/39/71/973863971.db2.gz	VDKBFJSMFMNPKC-UHFFFAOYSA-N	-1	0	290.275	0.251	20	30		CCEDRM
N#CC1(CNCCS(=O)(=O)CC(=O)[O-])CCCC1	ZINC001605582902	973869144	/nfs/dbraw/zinc/86/91/44/973869144.db2.gz	JAJBIYKNGVBXDH-UHFFFAOYSA-N	-1	0	274.342	0.159	20	30		CCEDRM
N#C[C@H]1CCCN(C(=O)[C@H]2CCCN(CC(=O)[O-])C2=O)C1	ZINC001605583190	973870519	/nfs/dbraw/zinc/87/05/19/973870519.db2.gz	MXJOJATWIADPGL-GHMZBOCLSA-N	-1	0	293.323	0.072	20	30		CCEDRM
N#C[C@@H]1CN(C(=O)C2(C(=O)[O-])CC=CC2)CCO1	ZINC001605583551	973873074	/nfs/dbraw/zinc/87/30/74/973873074.db2.gz	VNNCXUJKXVFVOR-SECBINFHSA-N	-1	0	250.254	0.158	20	30		CCEDRM
CC[C@]1(O)CCN(C(=O)[C@@](C)(C#N)CC(=O)[O-])C1	ZINC001603617320	973901246	/nfs/dbraw/zinc/90/12/46/973901246.db2.gz	XHHJGIFOOSFWCN-NEPJUHHUSA-N	-1	0	254.286	0.364	20	30		CCEDRM
N#Cc1ccc(NCC(=O)N[C@@]2(C(=O)[O-])CCOC2)cc1	ZINC001605612953	973931089	/nfs/dbraw/zinc/93/10/89/973931089.db2.gz	UONMXAGOGLAHNT-AWEZNQCLSA-N	-1	0	289.291	0.330	20	30		CCEDRM
CCN(C(=O)c1cc(C(=O)[O-])nn1C)[C@H](C)C#N	ZINC001603715777	974139667	/nfs/dbraw/zinc/13/96/67/974139667.db2.gz	TUNLZQSJIYGXQA-SSDOTTSWSA-N	-1	0	250.258	0.492	20	30		CCEDRM
CCN([C@@H](C)C(=O)[O-])S(=O)(=O)c1ccc(C#N)cn1	ZINC001603725699	974168911	/nfs/dbraw/zinc/16/89/11/974168911.db2.gz	WIHMNZDSCVICRA-QMMMGPOBSA-N	-1	0	283.309	0.437	20	30		CCEDRM
COc1cncc(NC(=O)[C@@](C)(C#N)CC(=O)[O-])n1	ZINC001604906566	974170551	/nfs/dbraw/zinc/17/05/51/974170551.db2.gz	MXSNQPRHKPUZGR-LLVKDONJSA-N	-1	0	264.241	0.428	20	30		CCEDRM
CCn1nnc(C)c1CNC(=O)[C@](C)(C#N)CC(=O)[O-]	ZINC001604024467	974542937	/nfs/dbraw/zinc/54/29/37/974542937.db2.gz	PUQWWQQZAXRIHB-LBPRGKRZSA-N	-1	0	279.300	0.227	20	30		CCEDRM
C[C@@H](CC#N)N(C)C(=O)Cn1cccc(C(=O)[O-])c1=O	ZINC001592221294	977395991	/nfs/dbraw/zinc/39/59/91/977395991.db2.gz	ALNMVYLWZDZZQA-VIFPVBQESA-N	-1	0	277.280	0.307	20	30		CCEDRM
C[C@H](CC#N)NC(=O)Nc1ccn(CC(=O)[O-])n1	ZINC001592222158	977405276	/nfs/dbraw/zinc/40/52/76/977405276.db2.gz	RXKZHFOCZPDSDM-SSDOTTSWSA-N	-1	0	251.246	0.391	20	30		CCEDRM
C[C@H](CC(=O)[O-])CC(=O)NCCNc1ncccc1C#N	ZINC001592387936	977930672	/nfs/dbraw/zinc/93/06/72/977930672.db2.gz	IFFJUKQSAGPAFA-JTQLQIEISA-N	-1	0	290.323	0.982	20	30		CCEDRM
C[C@@H](CNC(=O)OC(C)(C)C)C(=O)N(CC#N)CC(=O)[O-]	ZINC001592685580	979121126	/nfs/dbraw/zinc/12/11/26/979121126.db2.gz	PHQISUVHCMBVNC-VIFPVBQESA-N	-1	0	299.327	0.584	20	30		CCEDRM
CC[C@H](NS(=O)(=O)CC1(C#N)CCC1)C(=O)[O-]	ZINC001595307244	980464849	/nfs/dbraw/zinc/46/48/49/980464849.db2.gz	XKHWZQHYPLNIHG-QMMMGPOBSA-N	-1	0	260.315	0.463	20	30		CCEDRM
CC[C@H](C(=O)[O-])C(=O)OCC(=O)N(CC)C[C@@H](C)C#N	ZINC001594764565	981709230	/nfs/dbraw/zinc/70/92/30/981709230.db2.gz	IHABVOCOGPEVGC-VHSXEESVSA-N	-1	0	284.312	0.649	20	30		CCEDRM
CC[C@@H](C)[C@H](NC(=O)CN1CCC(C#N)CC1)C(=O)[O-]	ZINC001594892232	982294629	/nfs/dbraw/zinc/29/46/29/982294629.db2.gz	PGLWVSDGDPFXNH-MFKMUULPSA-N	-1	0	281.356	0.837	20	30		CCEDRM
C#C[C@@H](C)N(C)c1cc(C)nc2nc(C(=O)[O-])nn21	ZINC001588368190	983304518	/nfs/dbraw/zinc/30/45/18/983304518.db2.gz	HXRSTXLBPCTDMV-MRVPVSSYSA-N	-1	0	259.269	0.589	20	30		CCEDRM
C#C[C@@H](C)N(C)S(=O)(=O)CC1(C(=O)[O-])CCCC1	ZINC001588368775	983308066	/nfs/dbraw/zinc/30/80/66/983308066.db2.gz	SDCNYOXHNVUHBJ-SNVBAGLBSA-N	-1	0	273.354	0.915	20	30		CCEDRM
C#C[C@@H](NC(=O)N1CC[C@@]2(CC(C(=O)[O-])=NO2)C1)C(C)C	ZINC001588372115	983328121	/nfs/dbraw/zinc/32/81/21/983328121.db2.gz	DJMKHBAAQLCBIU-QMTHXVAHSA-N	-1	0	293.323	0.659	20	30		CCEDRM
C#C[C@@H](NC(=O)N1C[C@H](C)[C@@](C)(C(=O)[O-])C1)[C@H]1CCCO1	ZINC001588372349	983330031	/nfs/dbraw/zinc/33/00/31/983330031.db2.gz	ILPRTWOWRRWDRP-YFCNSXCBSA-N	-1	0	294.351	0.919	20	30		CCEDRM
C#CC1(O)CN(C(=O)c2ccccc2CCC(=O)[O-])C1	ZINC001588379511	983364073	/nfs/dbraw/zinc/36/40/73/983364073.db2.gz	JOQCRVBQIGVPPT-UHFFFAOYSA-N	-1	0	273.288	0.524	20	30		CCEDRM
C#C[C@@H]1COCCN1C(=O)NCC(C)(C)CC(=O)[O-]	ZINC001588383847	983384468	/nfs/dbraw/zinc/38/44/68/983384468.db2.gz	MNTJIDXPMCARPB-SNVBAGLBSA-N	-1	0	268.313	0.531	20	30		CCEDRM
C#CC[C@@H](CCOC)NC(=O)Cn1ccc(C(=O)[O-])n1	ZINC001588393533	983398820	/nfs/dbraw/zinc/39/88/20/983398820.db2.gz	GXQCFWNWVXHOJW-JTQLQIEISA-N	-1	0	279.296	0.126	20	30		CCEDRM
C#CC[C@H](COC)NC(=O)Nc1ccc(C(=O)[O-])nn1	ZINC001588394266	983402250	/nfs/dbraw/zinc/40/22/50/983402250.db2.gz	JNFJXCQMDKCRSM-MRVPVSSYSA-N	-1	0	278.268	0.335	20	30		CCEDRM
C#CC[C@@H](NC(=O)C12CCC(C(=O)OC)(CC1)C2)C(=O)[O-]	ZINC001588398277	983411836	/nfs/dbraw/zinc/41/18/36/983411836.db2.gz	GDXHQJWNVMUPAK-SFNBMPIDSA-N	-1	0	293.319	0.703	20	30		CCEDRM
C#CC[C@@H](NC(=O)C[C@@H](C)CC(=O)[O-])C(=O)OC	ZINC001588405904	983423490	/nfs/dbraw/zinc/42/34/90/983423490.db2.gz	KAZFOLJOXMVDOL-RKDXNWHRSA-N	-1	0	255.270	0.168	20	30		CCEDRM
C#CC[C@@H](NC(=O)COc1cccc(C#N)c1)C(=O)[O-]	ZINC001588406253	983424745	/nfs/dbraw/zinc/42/47/45/983424745.db2.gz	ZWKFAJQSUPSMLR-GFCCVEGCSA-N	-1	0	272.260	0.530	20	30		CCEDRM
C#CC[C@@H](NC(=O)N1CC(O)(C(=O)[O-])C1)c1ccccc1	ZINC001588407241	983427504	/nfs/dbraw/zinc/42/75/04/983427504.db2.gz	FPFLQRAOUZHUID-GFCCVEGCSA-N	-1	0	288.303	0.592	20	30		CCEDRM
C#CC[C@H](NC(=O)Cc1ccccc1C(=O)[O-])C(=O)OC	ZINC001588408127	983430691	/nfs/dbraw/zinc/43/06/91/983430691.db2.gz	YQAFGDOXCMWBGZ-LBPRGKRZSA-N	-1	0	289.287	0.608	20	30		CCEDRM
C#CC[C@@H](NC(=O)c1c(C)[nH]c(C(=O)OC)c1C)C(=O)[O-]	ZINC001588414368	983433711	/nfs/dbraw/zinc/43/37/11/983433711.db2.gz	RZVWHYIFDFDEIS-SECBINFHSA-N	-1	0	292.291	0.624	20	30		CCEDRM
C#CC[C@H](NC(=O)c1cccnc1-n1cccn1)C(=O)[O-]	ZINC001588416243	983436446	/nfs/dbraw/zinc/43/64/46/983436446.db2.gz	LFLFZUKPSIFGDG-NSHDSACASA-N	-1	0	284.275	0.474	20	30		CCEDRM
C#CC[C@@H](NC(=O)c1cncc2ncn(C)c21)C(=O)[O-]	ZINC001588416286	983436720	/nfs/dbraw/zinc/43/67/20/983436720.db2.gz	LYDRSCHFUBMRTI-SECBINFHSA-N	-1	0	272.264	0.175	20	30		CCEDRM
C#CC[C@H](NC(=O)c1cccc(C(=O)[O-])n1)C(=O)OC	ZINC001588417074	983438340	/nfs/dbraw/zinc/43/83/40/983438340.db2.gz	WWDREFGJSNXWNC-JTQLQIEISA-N	-1	0	276.248	0.075	20	30		CCEDRM
C#CC[C@H](NC(=O)c1ncc(Br)cn1)C(=O)[O-]	ZINC001588421638	983441966	/nfs/dbraw/zinc/44/19/66/983441966.db2.gz	MEQMXODRORYUFI-ZETCQYMHSA-N	-1	0	298.096	0.445	20	30		CCEDRM
C#CC[C@@H](NC(=O)c1nc(CC)ncc1Cl)C(=O)[O-]	ZINC001588422600	983447304	/nfs/dbraw/zinc/44/73/04/983447304.db2.gz	ZVWXAGUCVKZUFY-MRVPVSSYSA-N	-1	0	281.699	0.899	20	30		CCEDRM
C#CCC[C@@H](O)CNC(=O)NC[C@H](CC(=O)[O-])C1CC1	ZINC001588434466	983470558	/nfs/dbraw/zinc/47/05/58/983470558.db2.gz	KNJGJGRHFQKKKI-NWDGAFQWSA-N	-1	0	282.340	0.561	20	30		CCEDRM
C#CC[C@H]1CCN(S(=O)(=O)CCCC(=O)[O-])C1	ZINC001588434997	983474002	/nfs/dbraw/zinc/47/40/02/983474002.db2.gz	ZDWBICGZRAUPMO-JTQLQIEISA-N	-1	0	259.327	0.526	20	30		CCEDRM
C#CCNC(=O)[C@@H](C)OC(=O)c1cc(C)c(C(=O)[O-])o1	ZINC001588479599	983520674	/nfs/dbraw/zinc/52/06/74/983520674.db2.gz	VNBKSVRZOATHRQ-MRVPVSSYSA-N	-1	0	279.248	0.581	20	30		CCEDRM
C#CCNC(=O)COc1ccc(C(=O)[O-])c([N+](=O)[O-])c1	ZINC001588484206	983523224	/nfs/dbraw/zinc/52/32/24/983523224.db2.gz	UMPTWAOFINMKGY-UHFFFAOYSA-N	-1	0	278.220	0.421	20	30		CCEDRM
C#CCOCCN(C)CC(=O)Nc1ccc(C(=O)[O-])cc1	ZINC001588489565	983528009	/nfs/dbraw/zinc/52/80/09/983528009.db2.gz	DLKYMYZGYCULTM-UHFFFAOYSA-N	-1	0	290.319	0.905	20	30		CCEDRM
C#CCO[C@H](C)C(=O)Nc1cccc(CC(=O)[O-])n1	ZINC001588490147	983530938	/nfs/dbraw/zinc/53/09/38/983530938.db2.gz	HNTBUHIPFLOKFT-SECBINFHSA-N	-1	0	262.265	0.686	20	30		CCEDRM
C#CCOCCNC(=O)N1CC[C@H](C(=O)[O-])[C@@H]1C	ZINC001588491169	983535582	/nfs/dbraw/zinc/53/55/82/983535582.db2.gz	GOQGZIPROKFSNV-UWVGGRQHSA-N	-1	0	254.286	0.141	20	30		CCEDRM
C#CCOCCN(C)Cc1noc(CCCC(=O)[O-])n1	ZINC001588491157	983535623	/nfs/dbraw/zinc/53/56/23/983535623.db2.gz	FLJBUNHJNIQRFM-UHFFFAOYSA-N	-1	0	281.312	0.559	20	30		CCEDRM
C#CCOCCNC(=O)NCc1ccccc1CC(=O)[O-]	ZINC001588491754	983537368	/nfs/dbraw/zinc/53/73/68/983537368.db2.gz	UTNOEQYCCYFUCQ-UHFFFAOYSA-N	-1	0	290.319	0.763	20	30		CCEDRM
C#Cc1cncc(C(=O)N[C@@](C)(Cn2cccn2)C(=O)[O-])c1	ZINC001588529321	983581087	/nfs/dbraw/zinc/58/10/87/983581087.db2.gz	WXCUNLAJJUKVSC-HNNXBMFYSA-N	-1	0	298.302	0.533	20	30		CCEDRM
CCN(CC#N)S(=O)(=O)c1ccc(C#N)cc1C(=O)[O-]	ZINC001596200128	983583881	/nfs/dbraw/zinc/58/38/81/983583881.db2.gz	IYSORIXYDVDNTA-UHFFFAOYSA-N	-1	0	293.304	0.791	20	30		CCEDRM
C=C(C)C[C@@H](NC(=O)C1=C[S@](=O)CCC1)C(=O)[O-]	ZINC001588537807	983602160	/nfs/dbraw/zinc/60/21/60/983602160.db2.gz	YRBDPBRIMGXDLH-MLCYQJTMSA-N	-1	0	271.338	0.948	20	30		CCEDRM
CCN(CC(=O)[O-])C(=O)[C@H](O)c1ccc(C#N)cc1	ZINC001596212730	983603896	/nfs/dbraw/zinc/60/38/96/983603896.db2.gz	RPJBZJJEZKXCJA-GFCCVEGCSA-N	-1	0	262.265	0.525	20	30		CCEDRM
C=C(C)C[C@@H](NC(C)=O)C(=O)OCC(=O)C(C)(C)C(=O)[O-]	ZINC001588547536	983620877	/nfs/dbraw/zinc/62/08/77/983620877.db2.gz	KYKNDRXIHCKFLZ-SNVBAGLBSA-N	-1	0	299.323	0.680	20	30		CCEDRM
C=C(C)C[C@H](NC(C)=O)C(=O)Nc1ccnc(C(=O)[O-])n1	ZINC001588548032	983622819	/nfs/dbraw/zinc/62/28/19/983622819.db2.gz	PQRIDOGLACPTBF-VIFPVBQESA-N	-1	0	292.295	0.584	20	30		CCEDRM
C=C(C)C[C@@H](NS(=O)(=O)Cc1nocc1C)C(=O)[O-]	ZINC001588555172	983633312	/nfs/dbraw/zinc/63/33/12/983633312.db2.gz	AETFBAOJZGDRGF-SECBINFHSA-N	-1	0	288.325	0.822	20	30		CCEDRM
C=C(C)CN(C)C(=O)C(=O)N1CCC[C@@](C)(C(=O)[O-])C1	ZINC001588561580	983642484	/nfs/dbraw/zinc/64/24/84/983642484.db2.gz	NSKNHXXJJVBSES-CQSZACIVSA-N	-1	0	282.340	0.734	20	30		CCEDRM
C=C(C)CN(CC)C(=O)Cn1cccc(C(=O)[O-])c1=O	ZINC001588562688	983643360	/nfs/dbraw/zinc/64/33/60/983643360.db2.gz	FLIGHJJTSSEVIT-UHFFFAOYSA-N	-1	0	278.308	0.971	20	30		CCEDRM
C=C(C)CN(CC)C(=O)CN1CCC[C@@H](C(=O)[O-])C1=O	ZINC001588562854	983643619	/nfs/dbraw/zinc/64/36/19/983643619.db2.gz	JQHWGLRZRNKHQN-LLVKDONJSA-N	-1	0	282.340	0.734	20	30		CCEDRM
C=C(C)CS(=O)(=O)N[C@@H](C(=O)[O-])c1ccn(C)n1	ZINC001588577414	983656577	/nfs/dbraw/zinc/65/65/77/983656577.db2.gz	VRQFKISEEQSJLC-SECBINFHSA-N	-1	0	273.314	0.041	20	30		CCEDRM
C=C(C)CNC(=O)N1C[C@H](C(=O)[O-])[C@@H](C(=O)OC)C1	ZINC001588585350	983663091	/nfs/dbraw/zinc/66/30/91/983663091.db2.gz	NEPNHBLEAWVEGF-IUCAKERBSA-N	-1	0	270.285	0.078	20	30		CCEDRM
C=C(C)Cn1c(CO)nnc1N1CC[C@](OC)(C(=O)[O-])C1	ZINC001588597988	983681537	/nfs/dbraw/zinc/68/15/37/983681537.db2.gz	PNTURYNQOCKHPE-CYBMUJFWSA-N	-1	0	296.327	0.026	20	30		CCEDRM
C=C(C)Cn1nnnc1N(C[C@@H](C)C(=O)[O-])C1CC1	ZINC001588599453	983690214	/nfs/dbraw/zinc/69/02/14/983690214.db2.gz	QQNUKGQEOCSGQM-SECBINFHSA-N	-1	0	265.317	0.939	20	30		CCEDRM
C=C(CCC(=O)[O-])C(=O)N[C@H](C)CC[S@](C)=O	ZINC001588618965	983714223	/nfs/dbraw/zinc/71/42/23/983714223.db2.gz	GRJJHUOKJYZXHV-XLFHBGCDSA-N	-1	0	261.343	0.681	20	30		CCEDRM
C=C(CCC(=O)[O-])C(=O)N1CC[C@H]2COC(=O)N[C@@H]2C1	ZINC001588619368	983716212	/nfs/dbraw/zinc/71/62/12/983716212.db2.gz	RIUTYOVEVQGDJT-VHSXEESVSA-N	-1	0	282.296	0.364	20	30		CCEDRM
C=C(CCC(=O)[O-])C(=O)N[C@@H](CCOC)COC	ZINC001588622102	983721726	/nfs/dbraw/zinc/72/17/26/983721726.db2.gz	OSHQYDUZOLZXAN-JTQLQIEISA-N	-1	0	259.302	0.575	20	30		CCEDRM
C=C(CCC(=O)[O-])C(=O)NC1CC(CC(N)=O)C1	ZINC001588622142	983722213	/nfs/dbraw/zinc/72/22/13/983722213.db2.gz	PWEBSZGBDSRNJX-UHFFFAOYSA-N	-1	0	254.286	0.178	20	30		CCEDRM
CCN(CCC#N)C(=O)Cn1cc(C(=O)[O-])cn1	ZINC001596299545	983724799	/nfs/dbraw/zinc/72/47/99/983724799.db2.gz	NZQFKGVAYWJQJK-UHFFFAOYSA-N	-1	0	250.258	0.343	20	30		CCEDRM
C=C(CCC(=O)[O-])C(=O)NCCC(=O)Nc1ccncc1	ZINC001588624338	983731536	/nfs/dbraw/zinc/73/15/36/983731536.db2.gz	FSSOMVKKVHMHFN-UHFFFAOYSA-N	-1	0	291.307	0.369	20	30		CCEDRM
C=C(CCC(=O)[O-])C(=O)NC[C@H]1CC[C@@H](C(=O)N(C)C)O1	ZINC001588624508	983732790	/nfs/dbraw/zinc/73/27/90/983732790.db2.gz	LDQLQYDCGQUPDY-MNOVXSKESA-N	-1	0	298.339	0.159	20	30		CCEDRM
C=C(CCC(=O)[O-])C(=O)Nc1c[nH]nc1C(=O)OC	ZINC001588630466	983743862	/nfs/dbraw/zinc/74/38/62/983743862.db2.gz	MFJRNAPSEGMMHG-UHFFFAOYSA-N	-1	0	267.241	0.556	20	30		CCEDRM
C=C(CCC(=O)OC)C(=O)N(CCOC)CCC(=O)[O-]	ZINC001588633542	983749883	/nfs/dbraw/zinc/74/98/83/983749883.db2.gz	NZFZLCRUNRICGX-UHFFFAOYSA-N	-1	0	287.312	0.446	20	30		CCEDRM
C=C(COC(=O)[C@@H]1CC[C@@H]1C(=O)[O-])C(=O)OCC	ZINC001588637870	983761488	/nfs/dbraw/zinc/76/14/88/983761488.db2.gz	XOXRHQQBPDXWNT-DTWKUNHWSA-N	-1	0	256.254	0.760	20	30		CCEDRM
C=C[C@@H](C(=O)[O-])N1CCN(c2nc(CC)ns2)CC1	ZINC001588668839	983806570	/nfs/dbraw/zinc/80/65/70/983806570.db2.gz	ANTXZYFQIDWXPM-VIFPVBQESA-N	-1	0	282.369	0.862	20	30		CCEDRM
C=C[C@H](C(=O)[O-])n1cc(CN2CCC(OC)CC2)nn1	ZINC001588671997	983823509	/nfs/dbraw/zinc/82/35/09/983823509.db2.gz	MRJCAKAUIFQTKY-GFCCVEGCSA-N	-1	0	280.328	0.701	20	30		CCEDRM
C=C[C@H](C(=O)[O-])n1cc(CN2CCC[C@@H]2CO)nn1	ZINC001588672489	983825384	/nfs/dbraw/zinc/82/53/84/983825384.db2.gz	SXPLBYNAHSHKRJ-GHMZBOCLSA-N	-1	0	266.301	0.047	20	30		CCEDRM
C=C[C@H](C(=O)OC)n1cc(CC(C)(C)C(=O)[O-])nn1	ZINC001588672558	983826232	/nfs/dbraw/zinc/82/62/32/983826232.db2.gz	WCLYTYHAGYIMEV-SECBINFHSA-N	-1	0	267.285	0.832	20	30		CCEDRM
C=C[C@@H](C(=O)[O-])n1cc(CNCC(=O)OC(C)(C)C)nn1	ZINC001588672842	983826954	/nfs/dbraw/zinc/82/69/54/983826954.db2.gz	ZSTDTTSHFQIRME-JTQLQIEISA-N	-1	0	296.327	0.521	20	30		CCEDRM
C=C[C@](C)(O)CC(=O)N[C@@H](C(=O)[O-])c1cccnc1	ZINC001588684336	983858624	/nfs/dbraw/zinc/85/86/24/983858624.db2.gz	OWLLXQGOLCCIPT-YPMHNXCESA-N	-1	0	264.281	0.651	20	30		CCEDRM
C=C[C@@H](CC)CC(=O)N1CCNC(=O)[C@H]1CC(=O)[O-]	ZINC001588690586	983875220	/nfs/dbraw/zinc/87/52/20/983875220.db2.gz	CQYQBANTUJSRGF-VHSXEESVSA-N	-1	0	268.313	0.390	20	30		CCEDRM
C=C[C@H](CC)CC(=O)N1C[C@H](C(=O)[O-])[C@@H](C(=O)OC)C1	ZINC001588690650	983875528	/nfs/dbraw/zinc/87/55/28/983875528.db2.gz	GOPAWMDHJKQDDS-VWYCJHECSA-N	-1	0	283.324	0.921	20	30		CCEDRM
C=C[C@@H](CC)CC(=O)N1CC(=O)N(C)C[C@@H]1C(=O)[O-]	ZINC001588690974	983877737	/nfs/dbraw/zinc/87/77/37/983877737.db2.gz	NQMBJCZQPYNZBT-VHSXEESVSA-N	-1	0	268.313	0.343	20	30		CCEDRM
C=C[C@@H](COC)NC(=O)N1CCC[C@@H]1CC(=O)[O-]	ZINC001588692425	983881927	/nfs/dbraw/zinc/88/19/27/983881927.db2.gz	BNAPDHMNCFOIKM-VHSXEESVSA-N	-1	0	256.302	0.836	20	30		CCEDRM
C=C[C@H](O)C(=O)N1Cc2cc(O)ccc2C[C@H]1C(=O)[O-]	ZINC001588701817	983916679	/nfs/dbraw/zinc/91/66/79/983916679.db2.gz	ABDJPODWLTWYGQ-RYUDHWBXSA-N	-1	0	277.276	0.277	20	30		CCEDRM
C=C[C@@H](Nc1ccc(OC)c(OCC(N)=O)c1)C(=O)[O-]	ZINC001588702056	983918312	/nfs/dbraw/zinc/91/83/12/983918312.db2.gz	HNCJFFXSCGKUSL-SECBINFHSA-N	-1	0	280.280	0.610	20	30		CCEDRM
C=C[C@H](O)C(=O)N1C[C@H](C(F)(F)F)C[C@H](C(=O)[O-])C1	ZINC001588702387	983920296	/nfs/dbraw/zinc/92/02/96/983920296.db2.gz	RRBYSLGVPMSUNB-RNJXMRFFSA-N	-1	0	281.230	0.645	20	30		CCEDRM
C=C[C@@H](OC(=O)[C@H](CC(=C)C)NC(C)=O)C(=O)[O-]	ZINC001588704552	983924138	/nfs/dbraw/zinc/92/41/38/983924138.db2.gz	GDHQLFGXCHMBEY-VHSXEESVSA-N	-1	0	255.270	0.640	20	30		CCEDRM
C=C[C@H](O)C(=O)Nc1cc(C)c(C(=O)[O-])c(C)n1	ZINC001588705355	983926897	/nfs/dbraw/zinc/92/68/97/983926897.db2.gz	LYSDQTPUVUKTQA-QMMMGPOBSA-N	-1	0	250.254	0.882	20	30		CCEDRM
C=C[C@H](OC(=O)[C@H]1COCCN1CC(F)(F)F)C(=O)[O-]	ZINC001588710864	983934526	/nfs/dbraw/zinc/93/45/26/983934526.db2.gz	JGSKGUHFTJZHNX-SFYZADRCSA-N	-1	0	297.229	0.432	20	30		CCEDRM
C=C[C@@H](OC(=O)[C@H]1COCCN1CC(F)F)C(=O)[O-]	ZINC001588710981	983935738	/nfs/dbraw/zinc/93/57/38/983935738.db2.gz	KWWHKJVMYKUNTM-HTQZYQBOSA-N	-1	0	279.239	0.135	20	30		CCEDRM
C=C[C@H](OC(=O)c1cc(C(=O)[O-])co1)C(=O)OC	ZINC001588711616	983938556	/nfs/dbraw/zinc/93/85/56/983938556.db2.gz	BZUCVPRVKCXANU-ZETCQYMHSA-N	-1	0	254.194	0.862	20	30		CCEDRM
C=C[C@H](OC(=O)c1csc(C(=O)[O-])n1)C(=O)OC	ZINC001588712783	983946630	/nfs/dbraw/zinc/94/66/30/983946630.db2.gz	NGCOPTMAXMUEAC-LURJTMIESA-N	-1	0	271.250	0.726	20	30		CCEDRM
C=C[C@H](OC(=O)c1cnn(CCOCC)c1)C(=O)[O-]	ZINC001588712941	983947168	/nfs/dbraw/zinc/94/71/68/983947168.db2.gz	PIVMNHZXVQJXFB-JTQLQIEISA-N	-1	0	268.269	0.716	20	30		CCEDRM
C=C[C@H](OC(=O)c1c[nH]c(C(=O)OC)c1)C(=O)[O-]	ZINC001588713592	983949876	/nfs/dbraw/zinc/94/98/76/983949876.db2.gz	ZDWQXUJMAGUQFJ-QMMMGPOBSA-N	-1	0	253.210	0.597	20	30		CCEDRM
C=C[C@H]1CCCCN1C(=O)C(=O)NC[C@H](F)C(=O)[O-]	ZINC001588718818	983957787	/nfs/dbraw/zinc/95/77/87/983957787.db2.gz	GPXWUJQWHKHBHB-IUCAKERBSA-N	-1	0	272.276	0.092	20	30		CCEDRM
C=CC1CCN(C(=O)C(=O)N[C@@H]2CC=C(C(=O)[O-])C2)CC1	ZINC001588719962	983963899	/nfs/dbraw/zinc/96/38/99/983963899.db2.gz	IHLGNCLSSXYXOD-GFCCVEGCSA-N	-1	0	292.335	0.701	20	30		CCEDRM
C=CC[C@@H](C(=O)[O-])N1CCN(c2cnn(C)c2)C(=O)C1	ZINC001588730573	984000100	/nfs/dbraw/zinc/00/01/00/984000100.db2.gz	UDNBBXKGUFOEHC-NSHDSACASA-N	-1	0	278.312	0.098	20	30		CCEDRM
C=CC[C@@H](C)NC(=O)C(=O)Nc1c(C(=O)[O-])cnn1C	ZINC001588736079	984022937	/nfs/dbraw/zinc/02/29/37/984022937.db2.gz	DERSJEZDFORBKO-SSDOTTSWSA-N	-1	0	280.284	0.138	20	30		CCEDRM
C=CC[C@H](CO)CNC(=O)c1cc(C(=O)[O-])no1	ZINC001588737134	984028498	/nfs/dbraw/zinc/02/84/98/984028498.db2.gz	DSLYNAWYOXZGBD-ZETCQYMHSA-N	-1	0	254.242	0.287	20	30		CCEDRM
C=CCC(F)(F)C(=O)N[C@](C)(COC)C(=O)[O-]	ZINC001588742487	984032906	/nfs/dbraw/zinc/03/29/06/984032906.db2.gz	DYDHQUYOSBCTES-SECBINFHSA-N	-1	0	251.229	0.804	20	30		CCEDRM
C=CC[C@H](CO)NC(=O)Nc1cc(C(=O)[O-])n(C)n1	ZINC001588744729	984045249	/nfs/dbraw/zinc/04/52/49/984045249.db2.gz	QBIDBAIYAMDTHY-SSDOTTSWSA-N	-1	0	268.273	0.177	20	30		CCEDRM
C=CC[C@@H](CO)NC(=O)c1cncc(C(=O)[O-])c1	ZINC001588745219	984049799	/nfs/dbraw/zinc/04/97/99/984049799.db2.gz	VWBFCNIXDIIDBB-JTQLQIEISA-N	-1	0	250.254	0.447	20	30		CCEDRM
C=CC[C@H](OC(=O)[C@H](C)N1C(=O)CCC1=O)C(=O)[O-]	ZINC001588751950	984079028	/nfs/dbraw/zinc/07/90/28/984079028.db2.gz	RTRIPNWNWKWXSE-YUMQZZPRSA-N	-1	0	269.253	0.096	20	30		CCEDRM
C=CC[C@H](OC(=O)C1(C(=O)OCC)CC1)C(=O)[O-]	ZINC001588752521	984081674	/nfs/dbraw/zinc/08/16/74/984081674.db2.gz	XXIXIERPQQBKNU-QMMMGPOBSA-N	-1	0	256.254	0.902	20	30		CCEDRM
C=CC[C@H](OC(=O)[C@H](CC)N1CCCC1=O)C(=O)[O-]	ZINC001588752676	984082346	/nfs/dbraw/zinc/08/23/46/984082346.db2.gz	ZIKIWLDZUGMHHJ-UWVGGRQHSA-N	-1	0	269.297	0.960	20	30		CCEDRM
C=CC[C@H](OC(=O)Cc1cnn(C)c1C)C(=O)[O-]	ZINC001588753273	984084130	/nfs/dbraw/zinc/08/41/30/984084130.db2.gz	DPEAPDLQIMAPLL-JTQLQIEISA-N	-1	0	252.270	0.844	20	30		CCEDRM
C=CC[C@@H](OC(=O)Cc1cn(CC)nn1)C(=O)[O-]	ZINC001588753747	984088856	/nfs/dbraw/zinc/08/88/56/984088856.db2.gz	MRNUWILKIBYCKT-SECBINFHSA-N	-1	0	253.258	0.413	20	30		CCEDRM
C=CC[C@H](OC(=O)c1cnc2c(c1)nnn2C)C(=O)[O-]	ZINC001588758441	984105940	/nfs/dbraw/zinc/10/59/40/984105940.db2.gz	GJHNSBBDDVWJHD-VIFPVBQESA-N	-1	0	276.252	0.549	20	30		CCEDRM
CCN1CCN(c2ccc(C(=O)[O-])nc2C#N)CC1=O	ZINC001596439261	984130354	/nfs/dbraw/zinc/13/03/54/984130354.db2.gz	ZZHDQILTBSBLDT-UHFFFAOYSA-N	-1	0	274.280	0.320	20	30		CCEDRM
C=CCC[C@H](CO)NC(=O)c1cnc(C(=O)[O-])cn1	ZINC001588777755	984157938	/nfs/dbraw/zinc/15/79/38/984157938.db2.gz	IZNDIGKDXDRYQW-MRVPVSSYSA-N	-1	0	265.269	0.232	20	30		CCEDRM
C=CCCC[C@H](NC(=O)[C@H]1CCCN(C(N)=O)C1)C(=O)[O-]	ZINC001588789327	984197624	/nfs/dbraw/zinc/19/76/24/984197624.db2.gz	AZJKRAFUWJJKEP-QWRGUYRKSA-N	-1	0	297.355	0.703	20	30		CCEDRM
C=CCCC[C@@H](NC(=O)C1CN(C(C)=O)C1)C(=O)[O-]	ZINC001588789588	984199182	/nfs/dbraw/zinc/19/91/82/984199182.db2.gz	FSQIMGJGYBMWBR-LLVKDONJSA-N	-1	0	268.313	0.390	20	30		CCEDRM
C=CCCC[C@H](NC(=O)c1cccnc1C(N)=O)C(=O)[O-]	ZINC001588792823	984213763	/nfs/dbraw/zinc/21/37/63/984213763.db2.gz	GFUIGWCIDVJFBK-JTQLQIEISA-N	-1	0	291.307	0.720	20	30		CCEDRM
C=CCCC[C@@H](NC(=O)c1c[nH]c(=O)n1C)C(=O)[O-]	ZINC001588794324	984226470	/nfs/dbraw/zinc/22/64/70/984226470.db2.gz	RAXHVAXPMVYGLT-MRVPVSSYSA-N	-1	0	267.285	0.665	20	30		CCEDRM
C=CCCCNC(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)[O-]	ZINC001588803644	984251165	/nfs/dbraw/zinc/25/11/65/984251165.db2.gz	AAHDGLXVRQZGFG-IUCAKERBSA-N	-1	0	271.317	0.230	20	30		CCEDRM
C=CCCCNC(=O)N1C[C@H](C(=O)OC)[C@H](C(=O)[O-])C1	ZINC001588803741	984251784	/nfs/dbraw/zinc/25/17/84/984251784.db2.gz	HIIGFNHYWIBYSV-ZJUUUORDSA-N	-1	0	284.312	0.468	20	30		CCEDRM
C=CCCCNC(=O)N1C[C@@H](C(=O)[O-])[C@H](C(=O)OC)C1	ZINC001588803738	984251842	/nfs/dbraw/zinc/25/18/42/984251842.db2.gz	HIIGFNHYWIBYSV-NXEZZACHSA-N	-1	0	284.312	0.468	20	30		CCEDRM
C=CCCOCC(=O)Nc1cnn(CC(=O)[O-])c1C	ZINC001588810490	984267582	/nfs/dbraw/zinc/26/75/82/984267582.db2.gz	SXWQDXNSRNEMJY-UHFFFAOYSA-N	-1	0	267.285	0.807	20	30		CCEDRM
C=CCCn1cc(CNc2cncc(C(=O)[O-])n2)nn1	ZINC001588819846	984279389	/nfs/dbraw/zinc/27/93/89/984279389.db2.gz	FBOSWAAMPJHIOL-UHFFFAOYSA-N	-1	0	274.284	0.955	20	30		CCEDRM
C=CCN(C(=O)C(=O)Nc1cc(C(=O)[O-])n(C)c1)C1CC1	ZINC001588819901	984280200	/nfs/dbraw/zinc/28/02/00/984280200.db2.gz	HAYNBFXVABLMJC-UHFFFAOYSA-N	-1	0	291.307	0.839	20	30		CCEDRM
C=CCN(CC(=O)OCC)c1ccnc(C(=O)[O-])n1	ZINC001588824009	984295774	/nfs/dbraw/zinc/29/57/74/984295774.db2.gz	KSYKZZJGFYVHPK-UHFFFAOYSA-N	-1	0	265.269	0.730	20	30		CCEDRM
C=CCNC(=O)C(=O)Nc1ccc(C(=O)[O-])cc1OC	ZINC001588838511	984339300	/nfs/dbraw/zinc/33/93/00/984339300.db2.gz	FYRXLEISMAWIIW-UHFFFAOYSA-N	-1	0	278.264	0.634	20	30		CCEDRM
C=CCN1CC[C@@H](N(C)Cc2c[nH]c(C(=O)[O-])c2)C1=O	ZINC001588838645	984340069	/nfs/dbraw/zinc/34/00/69/984340069.db2.gz	HVFHXEYQCPYFIY-GFCCVEGCSA-N	-1	0	277.324	0.932	20	30		CCEDRM
C=CCN1CC[C@@H](OC(=O)c2occc2C(=O)[O-])C1=O	ZINC001588839194	984345520	/nfs/dbraw/zinc/34/55/20/984345520.db2.gz	OPCJKXPFXPSYOP-SECBINFHSA-N	-1	0	279.248	0.922	20	30		CCEDRM
C=CCN1CCC(NS(=O)(=O)C[C@H](C)C(=O)[O-])CC1	ZINC001588839396	984346217	/nfs/dbraw/zinc/34/62/17/984346217.db2.gz	QLTSANIDNILXHQ-JTQLQIEISA-N	-1	0	290.385	0.277	20	30		CCEDRM
C=CCNc1ncc(C(=O)N[C@](C)(CO)C(=O)[O-])s1	ZINC001588849292	984370308	/nfs/dbraw/zinc/37/03/08/984370308.db2.gz	ITQCJZDEHALDGI-LLVKDONJSA-N	-1	0	285.325	0.306	20	30		CCEDRM
C=CCOCC(=O)N(C)CCNc1ncc(C(=O)[O-])cn1	ZINC001588849700	984374509	/nfs/dbraw/zinc/37/45/09/984374509.db2.gz	GLLDCAZNOOMXRQ-UHFFFAOYSA-N	-1	0	294.311	0.248	20	30		CCEDRM
C=CCOC[C@H](NC(=O)C(=O)c1cccc(C)c1)C(=O)[O-]	ZINC001588850933	984381086	/nfs/dbraw/zinc/38/10/86/984381086.db2.gz	KRFGSSZWHFHADM-LBPRGKRZSA-N	-1	0	291.303	0.950	20	30		CCEDRM
C=CCOCC(=O)Nc1cccc(CC(=O)[O-])n1	ZINC001588851193	984383457	/nfs/dbraw/zinc/38/34/57/984383457.db2.gz	YFQWRVDEBWXICJ-UHFFFAOYSA-N	-1	0	250.254	0.850	20	30		CCEDRM
C=CCOC[C@@H](NC(=O)CCc1cncnc1)C(=O)[O-]	ZINC001588854170	984388685	/nfs/dbraw/zinc/38/86/85/984388685.db2.gz	PXZHTFNNOXGAKD-LLVKDONJSA-N	-1	0	279.296	0.181	20	30		CCEDRM
C=CCOC[C@@H](NC(=O)C1(C(=O)OCC)CCC1)C(=O)[O-]	ZINC001588855176	984391328	/nfs/dbraw/zinc/39/13/28/984391328.db2.gz	AVWQWNCASHSBBM-SNVBAGLBSA-N	-1	0	299.323	0.492	20	30		CCEDRM
C=CCOC[C@H](NC(=O)[C@@H](O)/C=C/CCC)C(=O)[O-]	ZINC001588855236	984392130	/nfs/dbraw/zinc/39/21/30/984392130.db2.gz	DUELHCTYMIUOBA-JYLGIWJRSA-N	-1	0	271.313	0.476	20	30		CCEDRM
C=CCOC[C@@H](NC(=O)Cc1ccnc(OC)c1)C(=O)[O-]	ZINC001588856383	984399845	/nfs/dbraw/zinc/39/98/45/984399845.db2.gz	HXIQXOUYGWWHKM-LLVKDONJSA-N	-1	0	294.307	0.405	20	30		CCEDRM
C=CCOC[C@H](NC(=O)Cc1ccccc1CO)C(=O)[O-]	ZINC001588856479	984400445	/nfs/dbraw/zinc/40/04/45/984400445.db2.gz	JRGDOHWCKKKGLT-ZDUSSCGKSA-N	-1	0	293.319	0.493	20	30		CCEDRM
C=CCOC[C@H](NC(=O)c1cncc(C=O)c1)C(=O)[O-]	ZINC001588860486	984413223	/nfs/dbraw/zinc/41/32/23/984413223.db2.gz	VZVBCZSZDHWGSW-NSHDSACASA-N	-1	0	278.264	0.280	20	30		CCEDRM
C=CCOC[C@@H]1NC(=O)N([C@H]2CC[C@@H](C(=O)[O-])C2)C1=O	ZINC001588866796	984427988	/nfs/dbraw/zinc/42/79/88/984427988.db2.gz	QJIMVCGRJLAFLI-UTLUCORTSA-N	-1	0	282.296	0.363	20	30		CCEDRM
C=CCn1c(COC)nnc1N1CC[C@@H](C(=O)[O-])C1	ZINC001588901667	984524760	/nfs/dbraw/zinc/52/47/60/984524760.db2.gz	YPOOIYLIAJWLFF-SECBINFHSA-N	-1	0	266.301	0.521	20	30		CCEDRM
C=CCn1cnnc1SCc1cn(CC(=O)[O-])nn1	ZINC001588912326	984550980	/nfs/dbraw/zinc/55/09/80/984550980.db2.gz	FRGMTXFQXMZYPW-UHFFFAOYSA-N	-1	0	280.313	0.433	20	30		CCEDRM
CC#CCN(C)S(=O)(=O)c1cc(C(=O)[O-])co1	ZINC001588931085	984601387	/nfs/dbraw/zinc/60/13/87/984601387.db2.gz	KSLOVPMYDZWKAH-UHFFFAOYSA-N	-1	0	257.267	0.622	20	30		CCEDRM
CC#CCN(C)C(=O)Nc1cc(C(=O)[O-])n(C)n1	ZINC001588931142	984601476	/nfs/dbraw/zinc/60/14/76/984601476.db2.gz	MNKKVWCAUYFSSM-UHFFFAOYSA-N	-1	0	250.258	0.605	20	30		CCEDRM
CC#CCNC(=O)N[C@H]1C[C@H]2C[C@@H](C(=O)[O-])C[C@H]21	ZINC001588932425	984608152	/nfs/dbraw/zinc/60/81/52/984608152.db2.gz	VCNNUOLNGIXNEV-DBIOUOCHSA-N	-1	0	250.298	0.808	20	30		CCEDRM
CCOC(=O)NCCC(=O)N1CCC(C#N)(C(=O)[O-])CC1	ZINC001596659138	984710312	/nfs/dbraw/zinc/71/03/12/984710312.db2.gz	JOYZEBQXXSSQRI-UHFFFAOYSA-N	-1	0	297.311	0.340	20	30		CCEDRM
Cc1[nH]c(=O)[nH]c1C(=O)N1CCC(C#N)(C(=O)[O-])CC1	ZINC001599940779	985451695	/nfs/dbraw/zinc/45/16/95/985451695.db2.gz	RUMNQONEXNMGJN-UHFFFAOYSA-N	-1	0	278.268	0.254	20	30		CCEDRM
Cc1[nH]c(C#N)cc1C(=O)NCc1ocnc1C(=O)[O-]	ZINC001599942169	985467976	/nfs/dbraw/zinc/46/79/76/985467976.db2.gz	CHTKWXUDAWOWRI-UHFFFAOYSA-N	-1	0	274.236	0.811	20	30		CCEDRM
C[C@@H]1CN([C@H](C(=O)[O-])c2ccc(C#N)cc2)C[C@H](CO)O1	ZINC001594501965	985689773	/nfs/dbraw/zinc/68/97/73/985689773.db2.gz	QNIUHJDFRIEKIT-HONMWMINSA-N	-1	0	290.319	0.766	20	30		CCEDRM
C[C@@H](C#N)CNS(=O)(=O)c1occc1C(=O)[O-]	ZINC001589330405	986172329	/nfs/dbraw/zinc/17/23/29/986172329.db2.gz	DCWXHDCVWGPTJT-LURJTMIESA-N	-1	0	258.255	0.416	20	30		CCEDRM
C[C@H](C#N)CN(CCC(=O)NCC(=O)[O-])C1CC1	ZINC001589330569	986174692	/nfs/dbraw/zinc/17/46/92/986174692.db2.gz	JVPAOVKTJVGBLV-SECBINFHSA-N	-1	0	253.302	0.201	20	30		CCEDRM
C[C@H](C#N)CN1C(=O)[C@H]2CC[C@H](C(=O)[O-])CN2C1=O	ZINC001589330913	986180379	/nfs/dbraw/zinc/18/03/79/986180379.db2.gz	UVHDFFYYPCVLJJ-HRDYMLBCSA-N	-1	0	265.269	0.273	20	30		CCEDRM
C[C@@H](C#N)CN(C)S(=O)(=O)CC1(C(=O)[O-])CC1	ZINC001589331020	986181524	/nfs/dbraw/zinc/18/15/24/986181524.db2.gz	YMJIBQQNMOPACJ-QMMMGPOBSA-N	-1	0	260.315	0.272	20	30		CCEDRM
C[C@H]1CN(Cc2cccc(C(=O)[O-])c2C#N)CC(=O)N1C	ZINC001594542726	986188256	/nfs/dbraw/zinc/18/82/56/986188256.db2.gz	STDMXPATKMHDHY-JTQLQIEISA-N	-1	0	287.319	0.919	20	30		CCEDRM
Cc1c(C(=O)[O-])cc(C=NN2CC(=O)N(C)C2=O)n1C	ZINC001599984638	986212264	/nfs/dbraw/zinc/21/22/64/986212264.db2.gz	VQJIUVJRDXGODJ-UHFFFAOYSA-N	-1	0	278.268	0.260	20	30		CCEDRM
C[C@H](C(=O)[O-])N(C(=O)[C@@H](C)n1cnc(C#N)n1)C1CCC1	ZINC001589468668	986933051	/nfs/dbraw/zinc/93/30/51/986933051.db2.gz	LPKBVPXRMMVPFD-RKDXNWHRSA-N	-1	0	291.311	0.565	20	30		CCEDRM
CSC[C@@](C)(C#N)NC(=O)c1cc(C(=O)[O-])on1	ZINC001599789198	987977979	/nfs/dbraw/zinc/97/79/79/987977979.db2.gz	BTASZJTVMIRYLO-SNVBAGLBSA-N	-1	0	269.282	0.748	20	30		CCEDRM
C[C@@H](C#N)NC(=O)CCCn1ccc(C(=O)[O-])n1	ZINC001599830145	988659093	/nfs/dbraw/zinc/65/90/93/988659093.db2.gz	FZMRRXIZBVYYHR-QMMMGPOBSA-N	-1	0	250.258	0.390	20	30		CCEDRM
CN(C(=O)C(=O)N[C@@H]1CC[C@H](C#N)C1)[C@H]1C[C@@H](C(=O)[O-])C1	ZINC001597984616	990072469	/nfs/dbraw/zinc/07/24/69/990072469.db2.gz	SQXLFLKCDGXTPV-UKKRHICBSA-N	-1	0	293.323	0.116	20	30		CCEDRM
CC(C)(C)n1nnc(CCN(CC#N)CCC(=O)[O-])n1	ZINC001590613938	990283354	/nfs/dbraw/zinc/28/33/54/990283354.db2.gz	SXOXVYPHSRMJAS-UHFFFAOYSA-N	-1	0	280.332	0.271	20	30		CCEDRM
CN(C(=O)[C@@H]1C[C@@H]1C#N)[C@@H](COC1CCC1)C(=O)[O-]	ZINC001598066948	990355633	/nfs/dbraw/zinc/35/56/33/990355633.db2.gz	NZHPHSIKPOLECW-IEBDPFPHSA-N	-1	0	266.297	0.627	20	30		CCEDRM
CN([C@H]1CCC[C@@H]1C#N)S(=O)(=O)c1cc(C(=O)[O-])[nH]n1	ZINC001598370455	991531967	/nfs/dbraw/zinc/53/19/67/991531967.db2.gz	PISGXMJNDXXVBA-APPZFPTMSA-N	-1	0	298.324	0.421	20	30		CCEDRM
CN(CC(=O)NC1CC1)[C@@H](C(=O)[O-])c1cccc(C#N)c1	ZINC001598386462	991606544	/nfs/dbraw/zinc/60/65/44/991606544.db2.gz	GILSESWTZGTTLI-CQSZACIVSA-N	-1	0	287.319	0.894	20	30		CCEDRM
COc1nc(N2CCO[C@@H](C#N)C2)ccc1C(=O)[O-]	ZINC001599730423	991701423	/nfs/dbraw/zinc/70/14/23/991701423.db2.gz	IMDVGQUISIGBOC-QMMMGPOBSA-N	-1	0	263.253	0.517	20	30		CCEDRM
CN(CC(C)(C)C#N)C(=O)Cn1cccc(C(=O)[O-])c1=O	ZINC001598419836	991755110	/nfs/dbraw/zinc/75/51/10/991755110.db2.gz	PJUBTPWQNQQQFQ-UHFFFAOYSA-N	-1	0	291.307	0.555	20	30		CCEDRM
CN(CCC#N)C(=O)CCCn1ccc(C(=O)[O-])n1	ZINC001598468860	991993126	/nfs/dbraw/zinc/99/31/26/991993126.db2.gz	SKZOLVCVRHHIGS-UHFFFAOYSA-N	-1	0	264.285	0.734	20	30		CCEDRM
CN(CCn1cccn1)c1ccc(C(=O)[O-])nc1C#N	ZINC001598503392	992466914	/nfs/dbraw/zinc/46/69/14/992466914.db2.gz	IMGHRRXSYFUSKT-UHFFFAOYSA-N	-1	0	271.280	0.984	20	30		CCEDRM
CC(C)C[C@H](NC(=O)[C@H](C)n1cnc(C#N)n1)C(=O)[O-]	ZINC001591450169	992556488	/nfs/dbraw/zinc/55/64/88/992556488.db2.gz	FJNNXPMAARMRDN-IUCAKERBSA-N	-1	0	279.300	0.326	20	30		CCEDRM
CC(C)C[C@H](NC(=O)CNC(=O)[C@@H](C)CC#N)C(=O)[O-]	ZINC001591453778	992560302	/nfs/dbraw/zinc/56/03/02/992560302.db2.gz	RCHPGOKKKGCREE-UWVGGRQHSA-N	-1	0	283.328	0.268	20	30		CCEDRM
CC(C)N1CC[C@@H](N(CC#N)CCC(=O)[O-])C1=O	ZINC001591619057	992886394	/nfs/dbraw/zinc/88/63/94/992886394.db2.gz	ZDHLRWZOFMLSKP-SNVBAGLBSA-N	-1	0	253.302	0.296	20	30		CCEDRM
CN1CC[C@H](ON=Cc2ccc(C(=O)[O-])cc2)C1=O	ZINC001598587994	993411728	/nfs/dbraw/zinc/41/17/28/993411728.db2.gz	LFCKJRWHLLRITP-NSHDSACASA-N	-1	0	262.265	0.966	20	30		CCEDRM
C[C@@H](N[C@H]1CCCN(O)C1=O)c1ncc(C(=O)[O-])s1	ZINC001593225109	994344562	/nfs/dbraw/zinc/34/45/62/994344562.db2.gz	SGHXVZDNKVELMC-RQJHMYQMSA-N	-1	0	285.325	0.872	20	30		CCEDRM
C[C@H](Oc1ccccc1C=NNCCO)C(=O)[O-]	ZINC001593645993	995979382	/nfs/dbraw/zinc/97/93/82/995979382.db2.gz	USZCYSOKLYVOMS-VIFPVBQESA-N	-1	0	252.270	0.454	20	30		CCEDRM
COC(=O)[C@@H]1CCN(C(=O)C#CC2CC2)[C@@H](C(=O)[O-])C1	ZINC001598790453	996067737	/nfs/dbraw/zinc/06/77/37/996067737.db2.gz	PYZIXLKUMTZUNV-GHMZBOCLSA-N	-1	0	279.292	0.265	20	30		CCEDRM
C[C@@]1(C#N)CN(C(=S)NCCCC(=O)[O-])CCO1	ZINC001593743572	996369831	/nfs/dbraw/zinc/36/98/31/996369831.db2.gz	UPIFAZWGDRTZHO-LLVKDONJSA-N	-1	0	271.342	0.340	20	30		CCEDRM
COC(=O)C[C@@H](NC(=O)c1ccc(C#N)c(O)c1)C(=O)[O-]	ZINC001598838054	996502439	/nfs/dbraw/zinc/50/24/39/996502439.db2.gz	IWLSRDQNQCHCCN-SECBINFHSA-N	-1	0	292.247	0.010	20	30		CCEDRM
COC(=O)CCN(CC#N)Cc1cc(C(=O)[O-])co1	ZINC001598855324	996633230	/nfs/dbraw/zinc/63/32/30/996633230.db2.gz	QOIBAVUNSDOEBE-UHFFFAOYSA-N	-1	0	266.253	0.866	20	30		CCEDRM
COC(=O)CCN(CC#N)C[C@H]1[C@@H](C(=O)[O-])C1(F)F	ZINC001598855673	996636545	/nfs/dbraw/zinc/63/65/45/996636545.db2.gz	XOXNUMCYRVDUDL-CBAPKCEASA-N	-1	0	276.239	0.341	20	30		CCEDRM
COC(=O)CC[C@@H](NC(=O)CC1(C#N)CC1)C(=O)[O-]	ZINC001598856925	996645731	/nfs/dbraw/zinc/64/57/31/996645731.db2.gz	XWVLATPOABLIRJ-MRVPVSSYSA-N	-1	0	268.269	0.203	20	30		CCEDRM
COC[C@H](OC(=O)c1ccc(C=NOC)cc1)C(=O)[O-]	ZINC001599182703	996972075	/nfs/dbraw/zinc/97/20/75/996972075.db2.gz	HTNOAISDRKODDI-NSHDSACASA-N	-1	0	281.264	0.923	20	30		CCEDRM
COCC[C@H](NC(=O)c1cc(C#N)c[nH]1)C(=O)[O-]	ZINC001599214371	997556825	/nfs/dbraw/zinc/55/68/25/997556825.db2.gz	JAAXAUMGCANFFU-QMMMGPOBSA-N	-1	0	251.242	0.106	20	30		CCEDRM
CC1(CS(=O)(=O)N(CC#N)CC(=O)[O-])CCOCC1	ZINC001594037237	997630829	/nfs/dbraw/zinc/63/08/29/997630829.db2.gz	NOYGLBIDDHFCEA-UHFFFAOYSA-N	-1	0	290.341	0.043	20	30		CCEDRM
COc1cc(NC(=O)C(=O)NCCC#N)ccc1C(=O)[O-]	ZINC001599429041	997726865	/nfs/dbraw/zinc/72/68/65/997726865.db2.gz	GLTMJZUONDKEML-UHFFFAOYSA-N	-1	0	291.263	0.362	20	30		CCEDRM
CO[C@@H]1CCN(C(=O)CC2(C#N)CC2)[C@H](C(=O)[O-])C1	ZINC001599121674	997749667	/nfs/dbraw/zinc/74/96/67/997749667.db2.gz	YZSQWIKTJQGWCL-ZJUUUORDSA-N	-1	0	266.297	0.771	20	30		CCEDRM
CO[C@H]1CCN(C(=O)CC2(C#N)CC2)[C@@H](C(=O)[O-])C1	ZINC001599121637	997749702	/nfs/dbraw/zinc/74/97/02/997749702.db2.gz	YZSQWIKTJQGWCL-VHSXEESVSA-N	-1	0	266.297	0.771	20	30		CCEDRM
COCCN(CCC#N)C(=O)CCSCC(=O)[O-]	ZINC001599235670	997942061	/nfs/dbraw/zinc/94/20/61/997942061.db2.gz	JWRRTGNNKQWOSW-UHFFFAOYSA-N	-1	0	274.342	0.583	20	30		CCEDRM
COCC#CC(=O)N[C@@]1(C(=O)[O-])CC[C@H](C)CC1	ZINC001599138194	998079648	/nfs/dbraw/zinc/07/96/48/998079648.db2.gz	KGBXOOTVTYWKJT-MJHDQNEOSA-N	-1	0	253.298	0.786	20	30		CCEDRM
COC[C@](C)(CC(=O)[O-])NS(=O)(=O)CC(C)(C)C#N	ZINC001599150502	998289230	/nfs/dbraw/zinc/28/92/30/998289230.db2.gz	PBSMGZAIMGGOHS-NSHDSACASA-N	-1	0	292.357	0.335	20	30		CCEDRM
COC[C@H](C)[C@H](C)C(=O)N(CC#N)CCC(=O)[O-]	ZINC001599157200	998392907	/nfs/dbraw/zinc/39/29/07/998392907.db2.gz	AUMIELVPFALZFG-UWVGGRQHSA-N	-1	0	256.302	0.732	20	30		CCEDRM
COC[C@H](NC(=O)c1ccc(C)c(C#N)c1)C(=O)[O-]	ZINC001599172414	998625535	/nfs/dbraw/zinc/62/55/35/998625535.db2.gz	YKBMTGDYTRVUNE-NSHDSACASA-N	-1	0	262.265	0.696	20	30		CCEDRM
C[C@H]1[C@H](C(=O)[O-])CCN1S(=O)(=O)c1ccc(C#N)cn1	ZINC001594170126	998653458	/nfs/dbraw/zinc/65/34/58/998653458.db2.gz	BHUDGDGPOGHJOE-WCBMZHEXSA-N	-1	0	295.320	0.437	20	30		CCEDRM
N#Cc1cccc(S(=O)(=O)N[C@H]2C=C[C@H](C(=O)[O-])C2)c1	ZINC000092181575	349483913	/nfs/dbraw/zinc/48/39/13/349483913.db2.gz	USLJRUYAAKLFFE-QWRGUYRKSA-N	-1	0	292.316	0.866	20	30		CCEDRM
N#Cc1ccccc1N1CCCN(Cc2n[nH]c(=O)[n-]2)CC1	ZINC000092618511	349500214	/nfs/dbraw/zinc/50/02/14/349500214.db2.gz	CKMQYXMVUHGEDO-UHFFFAOYSA-N	-1	0	298.350	0.682	20	30		CCEDRM
CCC[C@@H](NC(=O)Cc1ccc(C#N)nc1)c1nnn[n-]1	ZINC000599652279	361773696	/nfs/dbraw/zinc/77/36/96/361773696.db2.gz	LGHQRIZRDDPFSZ-LLVKDONJSA-N	-1	0	285.311	0.666	20	30		CCEDRM
CSc1[n-]c(=O)c(C(=O)NC[C@@H](O)C2CC2)cc1C#N	ZINC000337644748	214193491	/nfs/dbraw/zinc/19/34/91/214193491.db2.gz	IKGTZZJACLOFQA-SNVBAGLBSA-N	-1	0	293.348	0.881	20	30		CCEDRM
N#Cc1c[nH]nc1[N-]S(=O)(=O)c1cncc(F)c1	ZINC000093339124	349539522	/nfs/dbraw/zinc/53/95/22/349539522.db2.gz	LDJOIJIYDLRSGB-UHFFFAOYSA-N	-1	0	267.245	0.616	20	30		CCEDRM
CO[C@H](C)c1nc(=NC(=O)c2cnn(C)c2C#N)s[n-]1	ZINC000338016239	214362348	/nfs/dbraw/zinc/36/23/48/214362348.db2.gz	NUTLIHWKQBRMDU-ZCFIWIBFSA-N	-1	0	292.324	0.525	20	30		CCEDRM
Cc1[nH]nc([N-]S(=O)(=O)c2cnc(C)n2C)c1C#N	ZINC000600668639	362028656	/nfs/dbraw/zinc/02/86/56/362028656.db2.gz	RVOVKWFTITZSPM-UHFFFAOYSA-N	-1	0	280.313	0.433	20	30		CCEDRM
Cc1cc(NC[C@@]2(C(=O)[O-])CCCOC2)c(C#N)cn1	ZINC000600942756	362095405	/nfs/dbraw/zinc/09/54/05/362095405.db2.gz	HMGYNDARIGPQST-AWEZNQCLSA-N	-1	0	275.308	0.977	20	30		CCEDRM
C=C(C)C[C@@H](NC(=O)Cn1ccc([N+](=O)[O-])n1)C(=O)[O-]	ZINC000600874911	362085320	/nfs/dbraw/zinc/08/53/20/362085320.db2.gz	RHQZCAYVHQQWAH-MRVPVSSYSA-N	-1	0	282.256	0.327	20	30		CCEDRM
N#Cc1c[n-][nH]c1=NC(=O)[C@H]1CCc2nccn2C1	ZINC000601637843	362335885	/nfs/dbraw/zinc/33/58/85/362335885.db2.gz	YAVKJZKKWLOZPR-QMMMGPOBSA-N	-1	0	256.269	0.101	20	30		CCEDRM
COC[C@H](NS(=O)(=O)Cc1cccc(C#N)c1)C(=O)[O-]	ZINC000158589032	290719010	/nfs/dbraw/zinc/71/90/10/290719010.db2.gz	ALMAVZABMLOKBY-NSHDSACASA-N	-1	0	298.320	0.077	20	30		CCEDRM
N#Cc1c(C2CC2)[n-][nH]c1=NC(=O)C1CN(CC(F)F)C1	ZINC000601737194	362374327	/nfs/dbraw/zinc/37/43/27/362374327.db2.gz	KNJMIDFBGHPDHL-UHFFFAOYSA-N	-1	0	295.293	0.716	20	30		CCEDRM
CC[C@H]1CCCCN1C(=O)Cn1cc(C#N)c(=O)[n-]c1=O	ZINC000602026781	362463086	/nfs/dbraw/zinc/46/30/86/362463086.db2.gz	OEIPSYUHRFJQEF-NSHDSACASA-N	-1	0	290.323	0.612	20	30		CCEDRM
N#C[C@]1(F)CCN(C(=O)NCCCCC(=O)[O-])C1	ZINC000602094833	362484075	/nfs/dbraw/zinc/48/40/75/362484075.db2.gz	XPAQRILTGMYKRX-LLVKDONJSA-N	-1	0	257.265	0.888	20	30		CCEDRM
C[C@H]1CCCN1C(=O)CCn1cc(C#N)c(=O)[n-]c1=O	ZINC000602108045	362493868	/nfs/dbraw/zinc/49/38/68/362493868.db2.gz	ROEFXVQHNJEQBB-VIFPVBQESA-N	-1	0	276.296	0.222	20	30		CCEDRM
C[C@@H]1CC[C@H](C)CN1C(=O)Cn1cc(C#N)c(=O)[n-]c1=O	ZINC000602109567	362493914	/nfs/dbraw/zinc/49/39/14/362493914.db2.gz	SGJJTDBJOQFKPU-VHSXEESVSA-N	-1	0	290.323	0.468	20	30		CCEDRM
CC[C@H](C(=O)[O-])N(C)S(=O)(=O)c1ccc(C#N)nc1	ZINC000159688639	290726030	/nfs/dbraw/zinc/72/60/30/290726030.db2.gz	GXEGWJZRHIJYEP-SNVBAGLBSA-N	-1	0	283.309	0.437	20	30		CCEDRM
C[C@@H]1C[C@H](C)N(C(=O)Cn2cc(C#N)c(=O)[n-]c2=O)C1	ZINC000602113677	362496164	/nfs/dbraw/zinc/49/61/64/362496164.db2.gz	XTBRWSVRQQCPIM-BDAKNGLRSA-N	-1	0	276.296	0.077	20	30		CCEDRM
CN(CCC(C)(C)C)C(=O)Cn1cc(C#N)c(=O)[n-]c1=O	ZINC000602165138	362536915	/nfs/dbraw/zinc/53/69/15/362536915.db2.gz	BTFHTVIDZDKEEO-UHFFFAOYSA-N	-1	0	292.339	0.715	20	30		CCEDRM
CCC[C@@H](NC(=O)c1ccc(C#N)[nH]1)c1nnn[n-]1	ZINC000119623740	349944946	/nfs/dbraw/zinc/94/49/46/349944946.db2.gz	CEWZHIZSQIHGGP-MRVPVSSYSA-N	-1	0	259.273	0.671	20	30		CCEDRM
N#Cc1cccc(CNC(=O)c2c[n-]n3c2nccc3=O)c1	ZINC000339242053	215035366	/nfs/dbraw/zinc/03/53/66/215035366.db2.gz	HJXOYCNZKCFZCR-UHFFFAOYSA-N	-1	0	293.286	0.824	20	30		CCEDRM
Cc1ncc(S(=O)(=O)N[C@H](C)C(=O)[O-])cc1C#N	ZINC000261553398	137008062	/nfs/dbraw/zinc/00/80/62/137008062.db2.gz	AHFWIVQBOBWEAQ-SSDOTTSWSA-N	-1	0	269.282	0.013	20	30		CCEDRM
C[C@@](O)(CNc1cccc(C#N)c1[N+](=O)[O-])C(=O)[O-]	ZINC000263554536	137068012	/nfs/dbraw/zinc/06/80/12/137068012.db2.gz	NIPFBKGSUPILNP-LLVKDONJSA-N	-1	0	265.225	0.714	20	30		CCEDRM
C[C@@](O)(CNc1nc2ccccn2c1C#N)C(=O)[O-]	ZINC000263561347	137068736	/nfs/dbraw/zinc/06/87/36/137068736.db2.gz	RUGJJOYDURWXBU-GFCCVEGCSA-N	-1	0	260.253	0.453	20	30		CCEDRM
Cc1noc(C)c1CC(=O)Nc1nc(C#N)c(C#N)[n-]1	ZINC000026271946	348093784	/nfs/dbraw/zinc/09/37/84/348093784.db2.gz	VDWBBFQOKRPZIO-UHFFFAOYSA-N	-1	0	270.252	0.939	20	30		CCEDRM
Cc1nn(C)c2nc(C)cc(C(=O)[N-]S(C)(=O)=O)c12	ZINC000042279889	348272819	/nfs/dbraw/zinc/27/28/19/348272819.db2.gz	DTSOILDVBMJJGT-UHFFFAOYSA-N	-1	0	282.325	0.849	20	30		CCEDRM
C#CCNC(=O)c1ccccc1[N-]S(=O)(=O)N(C)CC	ZINC000072759080	348930782	/nfs/dbraw/zinc/93/07/82/348930782.db2.gz	IQGJUWDVIWNCQX-UHFFFAOYSA-N	-1	0	295.364	0.658	20	30		CCEDRM
N#Cc1ccc(C(=O)N2CCOC[C@@H]2C(=O)[O-])cc1	ZINC000088376049	349365596	/nfs/dbraw/zinc/36/55/96/349365596.db2.gz	ZJJDCNZGOVWJHR-LLVKDONJSA-N	-1	0	260.249	0.484	20	30		CCEDRM
CCOc1ccc(S(=O)(=O)[N-]c2n[nH]cc2C#N)cn1	ZINC000181056036	351301212	/nfs/dbraw/zinc/30/12/12/351301212.db2.gz	PHRWYLQXZUKPOZ-UHFFFAOYSA-N	-1	0	293.308	0.876	20	30		CCEDRM
Cn1cc(C#N)c([N-]S(=O)(=O)c2ccccc2C#N)n1	ZINC000123320140	187085041	/nfs/dbraw/zinc/08/50/41/187085041.db2.gz	HZPMOXRXDUMQMR-UHFFFAOYSA-N	-1	0	287.304	0.964	20	30		CCEDRM
N#Cc1ccc(S(=O)(=O)N2CC[C@H](C(=O)[O-])C2)s1	ZINC000230324615	352111605	/nfs/dbraw/zinc/11/16/05/352111605.db2.gz	JKYDABWWZTXYEW-ZETCQYMHSA-N	-1	0	286.334	0.715	20	30		CCEDRM
C=CCOC[C@@H](NC(=O)NCc1scnc1C)C(=O)[O-]	ZINC000573903850	334975409	/nfs/dbraw/zinc/97/54/09/334975409.db2.gz	DFIYWDRKIGWZSI-SECBINFHSA-N	-1	0	299.352	0.907	20	30		CCEDRM
CC(C)[C@@H](CC(=O)[O-])NS(=O)(=O)c1cncc(C#N)c1	ZINC000290465422	353728218	/nfs/dbraw/zinc/72/82/18/353728218.db2.gz	DXCLFXMGSRLSCC-LLVKDONJSA-N	-1	0	297.336	0.731	20	30		CCEDRM
C[C@@H]1[C@H](C(=O)[O-])CCN1S(=O)(=O)c1cncc(C#N)c1	ZINC000290669242	353741368	/nfs/dbraw/zinc/74/13/68/353741368.db2.gz	OTJWZEZRESSXNZ-LDYMZIIASA-N	-1	0	295.320	0.437	20	30		CCEDRM
C=CC[C@@H](CO)CNC(=O)N=c1[n-]nc(OC)s1	ZINC000338481734	355357537	/nfs/dbraw/zinc/35/75/37/355357537.db2.gz	AXRSGLIELYYSMK-SSDOTTSWSA-N	-1	0	272.330	0.275	20	30		CCEDRM
N#Cc1cccc([C@@H]2CN(Cc3n[nH]c(=O)[n-]3)CCO2)c1	ZINC000341127234	355612264	/nfs/dbraw/zinc/61/22/64/355612264.db2.gz	NSXHGJGPAITWMP-LBPRGKRZSA-N	-1	0	285.307	0.955	20	30		CCEDRM
N#Cc1cc(C(=O)N=c2ccc(=O)[n-][nH]2)ccc1F	ZINC000341689587	355715708	/nfs/dbraw/zinc/71/57/08/355715708.db2.gz	YKUGLNFFGQXQRT-UHFFFAOYSA-N	-1	0	258.212	0.867	20	30		CCEDRM
N#Cc1ccc(C(=O)NC2(c3nnn[n-]3)CC2)cc1	ZINC000348282717	355904041	/nfs/dbraw/zinc/90/40/41/355904041.db2.gz	XDLNYFXNAPNMQN-UHFFFAOYSA-N	-1	0	254.253	0.490	20	30		CCEDRM
C=CCn1cc(C(=O)NC[C@H](C(=O)[O-])C(C)C)nn1	ZINC000655558561	412619202	/nfs/dbraw/zinc/61/92/02/412619202.db2.gz	JLHSWRLVHNQBOR-VIFPVBQESA-N	-1	0	266.301	0.551	20	30		CCEDRM
CCn1cc(S(=O)(=O)[N-]c2cc(C#N)ccn2)cn1	ZINC000352879440	356101901	/nfs/dbraw/zinc/10/19/01/356101901.db2.gz	WTMJSZFTNYIWJV-UHFFFAOYSA-N	-1	0	277.309	0.970	20	30		CCEDRM
Cn1cc(C#N)c(=NC(=O)N[C@@H]2CSC2(C)C)[n-]1	ZINC000619795471	366355857	/nfs/dbraw/zinc/35/58/57/366355857.db2.gz	NTCOPAUPHDNLGQ-MRVPVSSYSA-N	-1	0	265.342	0.729	20	30		CCEDRM
N#Cc1c(C2CC2)[n-][nH]c1=NC(=O)c1cccc(C(N)=O)c1	ZINC000359726896	356879864	/nfs/dbraw/zinc/87/98/64/356879864.db2.gz	QMRVAPKTCLKEAV-UHFFFAOYSA-N	-1	0	295.302	0.932	20	30		CCEDRM
C[C@H](NC(=O)N=c1[n-]n(C)cc1C#N)c1cccnc1	ZINC000610561424	363576571	/nfs/dbraw/zinc/57/65/71/363576571.db2.gz	VQZSLHBOLHMADL-VIFPVBQESA-N	-1	0	270.296	0.991	20	30		CCEDRM
Cn1cc(C#N)c(=NC(=O)NC[C@@H](O)CC(C)(C)C)[n-]1	ZINC000610562687	363576713	/nfs/dbraw/zinc/57/67/13/363576713.db2.gz	BPPVDRZKCVGGAX-JTQLQIEISA-N	-1	0	279.344	0.632	20	30		CCEDRM
COC[C@@H](NC(=O)N=c1[n-]n(C)cc1C#N)c1ccco1	ZINC000610561444	363576892	/nfs/dbraw/zinc/57/68/92/363576892.db2.gz	WIQUVWQNVDIHML-SNVBAGLBSA-N	-1	0	289.295	0.816	20	30		CCEDRM
C[C@H](NC(=O)c1ccco1)C(=O)N=c1[nH][n-]cc1C#N	ZINC000610620306	363587453	/nfs/dbraw/zinc/58/74/53/363587453.db2.gz	PBDSGOOVGQYFBX-ZETCQYMHSA-N	-1	0	273.252	0.053	20	30		CCEDRM
C#CCO[C@H](C)C(=O)NCc1ccc(-c2nn[nH]n2)cc1	ZINC000294565137	199087700	/nfs/dbraw/zinc/08/77/00/199087700.db2.gz	JQNKTDUEJPVPRK-SNVBAGLBSA-N	-1	0	285.307	0.521	20	30		CCEDRM
N#Cc1cnc([N-]S(=O)(=O)c2cccnc2)s1	ZINC000610725096	363604444	/nfs/dbraw/zinc/60/44/44/363604444.db2.gz	DTBWUBODOVCPBS-UHFFFAOYSA-N	-1	0	266.307	0.632	20	30		CCEDRM
CC(C)CO[C@H]1CCN(C(=O)N=c2[n-]n(C)cc2C#N)C1	ZINC000610730797	363604493	/nfs/dbraw/zinc/60/44/93/363604493.db2.gz	FZDQFJPCIIZBDI-LBPRGKRZSA-N	-1	0	291.355	0.992	20	30		CCEDRM
CCn1nccc1S(=O)(=O)[N-]c1ccc(C#N)cn1	ZINC000471903797	236671574	/nfs/dbraw/zinc/67/15/74/236671574.db2.gz	WVAYRHKKSHQIED-UHFFFAOYSA-N	-1	0	277.309	0.392	20	30		CCEDRM
CCN([C@@H](C)CC(=O)[O-])S(=O)(=O)N(C)C[C@@H](C)C#N	ZINC000570971301	358900624	/nfs/dbraw/zinc/90/06/24/358900624.db2.gz	CNNRFMCGCHESFN-UWVGGRQHSA-N	-1	0	291.373	0.508	20	30		CCEDRM
N#Cc1ccc(N2CCC[C@H](c3n[nH]c(=O)[n-]3)C2)nn1	ZINC000585702034	359264864	/nfs/dbraw/zinc/26/48/64/359264864.db2.gz	UQEKIRYOQACVRY-QMMMGPOBSA-N	-1	0	271.284	0.556	20	30		CCEDRM
Cc1nn2cccnc2c1C(=O)N=c1[nH][n-]c(C)c1C#N	ZINC000588715665	359332972	/nfs/dbraw/zinc/33/29/72/359332972.db2.gz	ZCXFJLGKZYKVOE-UHFFFAOYSA-N	-1	0	281.279	0.615	20	30		CCEDRM
CCc1ccc([C@H](C#N)NC(=O)c2n[nH]c(=O)[n-]c2=O)cc1	ZINC000589900874	359408815	/nfs/dbraw/zinc/40/88/15/359408815.db2.gz	GWPIECBSHBGLRG-JTQLQIEISA-N	-1	0	299.290	0.840	20	30		CCEDRM
C=CC[C@@H](CO)CNC(=O)NC[C@H](C(=O)[O-])C(C)C	ZINC000655894888	412683428	/nfs/dbraw/zinc/68/34/28/412683428.db2.gz	OCSCDGAGFMNJQX-MNOVXSKESA-N	-1	0	272.345	0.827	20	30		CCEDRM
Cn1cc(C#N)c(=NC(=O)N2CCC(F)(F)[C@H](CO)C2)[n-]1	ZINC000589761857	359400894	/nfs/dbraw/zinc/40/08/94/359400894.db2.gz	PQWKWSUVAXNHHN-VIFPVBQESA-N	-1	0	299.281	0.195	20	30		CCEDRM
C=CCC[C@H](CO)NC(=O)NC[C@H](C(=O)[O-])C(C)C	ZINC000655897222	412685141	/nfs/dbraw/zinc/68/51/41/412685141.db2.gz	UUXXPWQDLFLDSO-MNOVXSKESA-N	-1	0	272.345	0.970	20	30		CCEDRM
COC[C@@H]1CCCCN1C(=O)N=c1[n-]n(C)cc1C#N	ZINC000590822530	359527514	/nfs/dbraw/zinc/52/75/14/359527514.db2.gz	WDWOMQKHEMYVFB-NSHDSACASA-N	-1	0	277.328	0.746	20	30		CCEDRM
N#CCc1cccc(S(=O)(=O)N2CC[C@H](C(=O)[O-])C2)c1	ZINC000591350437	359580846	/nfs/dbraw/zinc/58/08/46/359580846.db2.gz	XIGSMAXBDFEJLN-NSHDSACASA-N	-1	0	294.332	0.848	20	30		CCEDRM
C=CCN(CC(=O)[O-])S(=O)(=O)CC1CC(F)(F)C1	ZINC000296900066	200029455	/nfs/dbraw/zinc/02/94/55/200029455.db2.gz	JFLNGDLHUBSXMX-UHFFFAOYSA-N	-1	0	283.296	0.934	20	30		CCEDRM
N#Cc1cc(F)ccc1S(=O)(=O)N[C@H]1C[C@H](C(=O)[O-])C1	ZINC000591740975	359650975	/nfs/dbraw/zinc/65/09/75/359650975.db2.gz	HODBKDUTSOHFNJ-GVJMRKKJSA-N	-1	0	298.295	0.839	20	30		CCEDRM
N#Cc1cccc(/C=C\C(=O)NCc2n[n-]c(=N)o2)c1	ZINC000492689804	237265865	/nfs/dbraw/zinc/26/58/65/237265865.db2.gz	OADHJQRRRPRIAV-PLNGDYQASA-N	-1	0	269.264	0.683	20	30		CCEDRM
CCOC(=O)CCCCn1c(=O)[n-]cc(C#N)c1=O	ZINC000563127776	291196366	/nfs/dbraw/zinc/19/63/66/291196366.db2.gz	SLXGLHBLWCHNPX-UHFFFAOYSA-N	-1	0	265.269	0.142	20	30		CCEDRM
Cc1c(C#N)c(=NC(=O)c2ccc([N+](=O)[O-])n2C)[n-]n1C	ZINC000592646030	359908465	/nfs/dbraw/zinc/90/84/65/359908465.db2.gz	FTHNOZFWDHLGTM-UHFFFAOYSA-N	-1	0	288.267	0.521	20	30		CCEDRM
N#Cc1cccc(C(=O)N2CCC[C@H](c3n[nH]c(=O)[n-]3)C2)n1	ZINC000592796763	359938673	/nfs/dbraw/zinc/93/86/73/359938673.db2.gz	MAJMQJMJKGLPIX-VIFPVBQESA-N	-1	0	298.306	0.797	20	30		CCEDRM
CC[C@@H](C#N)C(=O)Nc1nnc([N-]S(C)(=O)=O)s1	ZINC000593415162	360083898	/nfs/dbraw/zinc/08/38/98/360083898.db2.gz	DKERSDWOMIDJPP-YFKPBYRVSA-N	-1	0	289.342	0.398	20	30		CCEDRM
C=C[C@@H]1OCC[C@H]1[N-]S(=O)(=O)c1ncccc1[N+](=O)[O-]	ZINC000594779024	360381773	/nfs/dbraw/zinc/38/17/73/360381773.db2.gz	JIZKHDACAITDPN-SCZZXKLOSA-N	-1	0	299.308	0.612	20	30		CCEDRM
COC1(CNC(=O)N=c2[n-]n(C)cc2C#N)CCC1	ZINC000611557512	363737639	/nfs/dbraw/zinc/73/76/39/363737639.db2.gz	PMFACCPJSJJPMO-UHFFFAOYSA-N	-1	0	263.301	0.404	20	30		CCEDRM
C[C@@](O)(CNC(=O)CC1(C#N)CCCCC1)C(=O)[O-]	ZINC000595281059	360477425	/nfs/dbraw/zinc/47/74/25/360477425.db2.gz	HJEBEWZEZHBKGR-GFCCVEGCSA-N	-1	0	268.313	0.802	20	30		CCEDRM
C=CCN(C(=O)CSCC(=O)[O-])[C@@H](C)COC	ZINC000595245852	360456659	/nfs/dbraw/zinc/45/66/59/360456659.db2.gz	RSKIDAMXJCHQJS-VIFPVBQESA-N	-1	0	261.343	0.854	20	30		CCEDRM
Cc1ccc(C#N)c(N[C@@H]2C[C@@H](C(=O)[O-])C[C@H]2O)n1	ZINC000595977780	360753300	/nfs/dbraw/zinc/75/33/00/360753300.db2.gz	IBOPLKGKBSTYOE-GMTAPVOTSA-N	-1	0	261.281	0.898	20	30		CCEDRM
N#Cc1cnc(N[C@@H]2C[C@@H](C(=O)[O-])C[C@@H]2O)c([N+](=O)[O-])c1	ZINC000595977820	360753726	/nfs/dbraw/zinc/75/37/26/360753726.db2.gz	IQEVIGLRFUPUTP-MRTMQBJTSA-N	-1	0	292.251	0.497	20	30		CCEDRM
N#CCCCS(=O)(=O)N1CC2(CCC2)[C@H]1C(=O)[O-]	ZINC000596034579	360779089	/nfs/dbraw/zinc/77/90/89/360779089.db2.gz	LAPRDNAHDPHIPP-SECBINFHSA-N	-1	0	272.326	0.559	20	30		CCEDRM
N#CC1(CC(=O)NCc2n[nH]c(=O)[n-]2)CCCCC1	ZINC000597338091	361064145	/nfs/dbraw/zinc/06/41/45/361064145.db2.gz	QVNCKZAWCXMBHC-UHFFFAOYSA-N	-1	0	263.301	0.991	20	30		CCEDRM
CN=c1[n-]nc(CC(=O)N2CCC[C@](C)(C#N)C2)s1	ZINC000612758423	364008077	/nfs/dbraw/zinc/00/80/77/364008077.db2.gz	CRXBKCIKJCLCOJ-GFCCVEGCSA-N	-1	0	279.369	0.696	20	30		CCEDRM
O=C([O-])CSCC(=O)NCC#Cc1ccccc1	ZINC000612593576	363965170	/nfs/dbraw/zinc/96/51/70/363965170.db2.gz	CCWXLBOJDOZLJS-UHFFFAOYSA-N	-1	0	263.318	0.972	20	30		CCEDRM
C=C[C@H]1CCCCN1C(=O)C(=O)NC[C@@H](C)C(=O)[O-]	ZINC000656003866	412730394	/nfs/dbraw/zinc/73/03/94/412730394.db2.gz	KGGVHHNNLKLBLC-ZJUUUORDSA-N	-1	0	268.313	0.390	20	30		CCEDRM
C=C(C)[C@@H]1OCC[C@H]1CNC(=O)c1cc(=O)n(C)[n-]1	ZINC000614373944	364587907	/nfs/dbraw/zinc/58/79/07/364587907.db2.gz	WIRCQTPKTBXUNK-CABZTGNLSA-N	-1	0	265.313	0.837	20	30		CCEDRM
C=CCN(CC(=O)[O-])S(=O)(=O)c1cnn(C(C)C)c1	ZINC000275265280	192981112	/nfs/dbraw/zinc/98/11/12/192981112.db2.gz	JHWSDCKZTUCGCT-UHFFFAOYSA-N	-1	0	287.341	0.725	20	30		CCEDRM
N#C[C@@]1(F)CCN(C(=O)CSc2n[nH]c(=O)[n-]2)C1	ZINC000615824672	365097875	/nfs/dbraw/zinc/09/78/75/365097875.db2.gz	BXLALKSHGVZSPT-VIFPVBQESA-N	-1	0	271.277	0.067	20	30		CCEDRM
Cn1nncc1S(=O)(=O)[N-]c1ccc(CC#N)cc1	ZINC000616175532	365202795	/nfs/dbraw/zinc/20/27/95/365202795.db2.gz	SPHCAXGFQXGENN-UHFFFAOYSA-N	-1	0	277.309	0.682	20	30		CCEDRM
C=C(C)CS(=O)(=O)N1C[C@@H](OC)C[C@@]1(C)C(=O)[O-]	ZINC000629308576	369627813	/nfs/dbraw/zinc/62/78/13/369627813.db2.gz	SBIZUZYPSZACPS-ONGXEEELSA-N	-1	0	277.342	0.456	20	30		CCEDRM
C=CCCS(=O)(=O)N1C[C@H](OC)C[C@@]1(C)C(=O)[O-]	ZINC000629307214	369626834	/nfs/dbraw/zinc/62/68/34/369626834.db2.gz	BZBYXUVFBXHLOU-KOLCDFICSA-N	-1	0	277.342	0.456	20	30		CCEDRM
C=CCN(CC=C)C(=O)C(=O)N1CC[C@H](C(=O)[O-])[C@@H](C)C1	ZINC000629770942	369771889	/nfs/dbraw/zinc/77/18/89/369771889.db2.gz	CCJHQGRODQZBGO-RYUDHWBXSA-N	-1	0	294.351	0.756	20	30		CCEDRM
C=CC[C@H]1CCN(C(=O)C(=O)N2CCC[C@H](C(=O)[O-])C2)C1	ZINC000629779910	369773979	/nfs/dbraw/zinc/77/39/79/369773979.db2.gz	LDYOJLDUTFWJIN-RYUDHWBXSA-N	-1	0	294.351	0.734	20	30		CCEDRM
C=CCOC[C@@H](NC(=O)c1cnc(C)[nH]1)C(=O)[O-]	ZINC000630186328	369996145	/nfs/dbraw/zinc/99/61/45/369996145.db2.gz	OFNZBXMEKKXVEY-SECBINFHSA-N	-1	0	253.258	0.104	20	30		CCEDRM
C=CCOC[C@H](NC(=O)c1cnn(CC2CC2)c1)C(=O)[O-]	ZINC000630187380	369996802	/nfs/dbraw/zinc/99/68/02/369996802.db2.gz	OFOUUFDGRBNZMO-LBPRGKRZSA-N	-1	0	293.323	0.679	20	30		CCEDRM
C=C[C@@H]1OCC[C@H]1CNC(=O)CC1(C(=O)[O-])CCOCC1	ZINC000630195124	370000259	/nfs/dbraw/zinc/00/02/59/370000259.db2.gz	GCDDCOMNWBPHML-RYUDHWBXSA-N	-1	0	297.351	0.965	20	30		CCEDRM
C=C(C)C[C@H](NC(=O)COCCOCC)C(=O)[O-]	ZINC000630319546	370045812	/nfs/dbraw/zinc/04/58/12/370045812.db2.gz	CIDASJCONNHUEC-JTQLQIEISA-N	-1	0	259.302	0.575	20	30		CCEDRM
C=C(C)C[C@@H](NC(=O)CS(=O)(=O)C(C)(C)C)C(=O)[O-]	ZINC000630320004	370045825	/nfs/dbraw/zinc/04/58/25/370045825.db2.gz	MYBATUFZYJMTGK-SECBINFHSA-N	-1	0	291.369	0.735	20	30		CCEDRM
C=C(C)C[C@H](NC(=O)CCc1ccnn1C)C(=O)[O-]	ZINC000630320581	370046097	/nfs/dbraw/zinc/04/60/97/370046097.db2.gz	ZWSDEDUCPYZSAD-NSHDSACASA-N	-1	0	265.313	0.888	20	30		CCEDRM
C=C(C)C[C@H](NC(=O)Cc1cnn(C)c1)C(=O)[O-]	ZINC000630321405	370046771	/nfs/dbraw/zinc/04/67/71/370046771.db2.gz	IQDNCNTUPRAXQV-JTQLQIEISA-N	-1	0	251.286	0.498	20	30		CCEDRM
C=C(C)C[C@H](NC(=O)CCc1ccncn1)C(=O)[O-]	ZINC000630320911	370046993	/nfs/dbraw/zinc/04/69/93/370046993.db2.gz	CLWLMMRVNGIHKE-NSHDSACASA-N	-1	0	263.297	0.945	20	30		CCEDRM
C=C(C)C[C@H](NC(=O)c1nc2ncccn2n1)C(=O)[O-]	ZINC000630322880	370047018	/nfs/dbraw/zinc/04/70/18/370047018.db2.gz	XKIYUSJQSLMEQD-QMMMGPOBSA-N	-1	0	275.268	0.274	20	30		CCEDRM
C=C(C)C[C@@H](NC(=O)Cc1nnn(C(C)(C)C)n1)C(=O)[O-]	ZINC000630322835	370047021	/nfs/dbraw/zinc/04/70/21/370047021.db2.gz	WQUXLYBBRFJIAG-SECBINFHSA-N	-1	0	295.343	0.506	20	30		CCEDRM
C=C(C)C[C@@H](NC(=O)c1cn(C)nc1C)C(=O)[O-]	ZINC000630325704	370047885	/nfs/dbraw/zinc/04/78/85/370047885.db2.gz	KHTLSMXTJXQSSF-SNVBAGLBSA-N	-1	0	251.286	0.878	20	30		CCEDRM
C=CCOC[C@@H](NC(=O)Cc1cc(C)on1)C(=O)[O-]	ZINC000630185436	369994904	/nfs/dbraw/zinc/99/49/04/369994904.db2.gz	BJWDJPWMUVOWAS-SNVBAGLBSA-N	-1	0	268.269	0.298	20	30		CCEDRM
C=CCOC[C@H](NC(=O)Cc1cc(C)on1)C(=O)[O-]	ZINC000630185435	369994910	/nfs/dbraw/zinc/99/49/10/369994910.db2.gz	BJWDJPWMUVOWAS-JTQLQIEISA-N	-1	0	268.269	0.298	20	30		CCEDRM
C=C(C)C[C@@H](NS(=O)(=O)N(C)CC)C(=O)[O-]	ZINC000630438352	370117467	/nfs/dbraw/zinc/11/74/67/370117467.db2.gz	OVCVLOMTOLIMSZ-MRVPVSSYSA-N	-1	0	250.320	0.192	20	30		CCEDRM
C=C(C)C[C@H](NC(=O)NCC1(C)COC1)C(=O)[O-]	ZINC000630476064	370129086	/nfs/dbraw/zinc/12/90/86/370129086.db2.gz	MMUOPTMAQKILKJ-VIFPVBQESA-N	-1	0	256.302	0.742	20	30		CCEDRM
C=C(C)C[C@H](NC(=O)NCC[C@@H](COC)OC)C(=O)[O-]	ZINC000630481550	370130031	/nfs/dbraw/zinc/13/00/31/370130031.db2.gz	MPFARIMXWWWWIM-QWRGUYRKSA-N	-1	0	288.344	0.757	20	30		CCEDRM
C=CCOCCNC(=O)N[C@@H](CC(=C)C)C(=O)[O-]	ZINC000630479360	370130201	/nfs/dbraw/zinc/13/02/01/370130201.db2.gz	DTOQRLBWTXWNLP-JTQLQIEISA-N	-1	0	256.302	0.908	20	30		CCEDRM
C[C@@H](C(=O)[O-])N(C)S(=O)(=O)c1ccc(F)cc1C#N	ZINC000261630169	190041850	/nfs/dbraw/zinc/04/18/50/190041850.db2.gz	DPPFCDLGGVOROF-ZETCQYMHSA-N	-1	0	286.284	0.791	20	30		CCEDRM
C#CCOc1ccc(C(=O)N2CCOC[C@@H]2C(=O)[O-])cc1	ZINC000262402283	190054405	/nfs/dbraw/zinc/05/44/05/190054405.db2.gz	AFBQAVNLAWBLPZ-CYBMUJFWSA-N	-1	0	289.287	0.624	20	30		CCEDRM
Cc1oc(C#N)cc1C(=O)N1CCC[C@@H](c2nnn[n-]2)C1	ZINC000515479956	249135939	/nfs/dbraw/zinc/13/59/39/249135939.db2.gz	QTJDXVHITAJSRY-SECBINFHSA-N	-1	0	286.295	0.993	20	30		CCEDRM
N#Cc1c(C2CC2)[n-][nH]c1=NC(=O)c1cncnc1	ZINC000515696283	249143249	/nfs/dbraw/zinc/14/32/49/249143249.db2.gz	IIFKLVHCWOZDDO-UHFFFAOYSA-N	-1	0	254.253	0.623	20	30		CCEDRM
C=CCC(CC=C)C(=O)NCCC(=O)[N-]S(C)(=O)=O	ZINC000278764355	194144235	/nfs/dbraw/zinc/14/42/35/194144235.db2.gz	XQNIGSQWIUUECQ-UHFFFAOYSA-N	-1	0	288.369	0.337	20	30		CCEDRM
CC#CC[C@@H](NS(=O)(=O)c1ccoc1)C(=O)[O-]	ZINC000284967457	388786495	/nfs/dbraw/zinc/78/64/95/388786495.db2.gz	FFELRTFUZYWYBE-SECBINFHSA-N	-1	0	257.267	0.425	20	30		CCEDRM
CC#CC[C@@H](NS(=O)(=O)c1ccsc1)C(=O)[O-]	ZINC000285294215	388790166	/nfs/dbraw/zinc/79/01/66/388790166.db2.gz	XPROVBKQNSSPNO-SECBINFHSA-N	-1	0	273.335	0.893	20	30		CCEDRM
C[C@@H](CN(C)S(=O)(=O)c1cccc(C#N)c1)C(=O)[O-]	ZINC000042703676	388867174	/nfs/dbraw/zinc/86/71/74/388867174.db2.gz	HYPOZGMIVRVVAO-VIFPVBQESA-N	-1	0	282.321	0.899	20	30		CCEDRM
C=CCNS(=O)(=O)c1ccc(OC)cc1CC(=O)[O-]	ZINC000036889125	388845428	/nfs/dbraw/zinc/84/54/28/388845428.db2.gz	QUEYIBTXMQPURD-UHFFFAOYSA-N	-1	0	285.321	0.787	20	30		CCEDRM
C#CCO[N-]C(=O)[C@@H]1CC(=O)N(C)[C@@H]1c1cccnc1	ZINC000291010469	388915415	/nfs/dbraw/zinc/91/54/15/388915415.db2.gz	AVJMIPAJXBVHNB-DGCLKSJQSA-N	-1	0	273.292	0.282	20	30		CCEDRM
C#CCO[N-]C(=O)[C@@H]1CN(C(=O)OC(C)(C)C)CCO1	ZINC000291176914	388918326	/nfs/dbraw/zinc/91/83/26/388918326.db2.gz	FGDOCUQJZVLGLB-JTQLQIEISA-N	-1	0	284.312	0.303	20	30		CCEDRM
C#CCO[N-]C(=O)[C@@H]1CSCN1C(=O)/C(C)=C/CC	ZINC000291236727	388918861	/nfs/dbraw/zinc/91/88/61/388918861.db2.gz	KUKNNVHLYGLYLJ-RUYJGKKWSA-N	-1	0	282.365	0.925	20	30		CCEDRM
C#CCONC(=O)CCc1c(C)[nH]c(=O)c(C#N)c1C	ZINC000291311644	388920057	/nfs/dbraw/zinc/92/00/57/388920057.db2.gz	RQIHYEPUPBXKEM-UHFFFAOYSA-N	-1	0	273.292	0.889	20	30		CCEDRM
C=CCCCS(=O)(=O)NCCSCC(=O)[O-]	ZINC000291877103	388941928	/nfs/dbraw/zinc/94/19/28/388941928.db2.gz	MHXFIKMLERTLSL-UHFFFAOYSA-N	-1	0	267.372	0.690	20	30		CCEDRM
N#C[C@@H](c1ccccc1)N1CCN(Cc2n[nH]c(=O)[n-]2)CC1	ZINC000092643074	389031165	/nfs/dbraw/zinc/03/11/65/389031165.db2.gz	QZBYFYMARWQWOL-ZDUSSCGKSA-N	-1	0	298.350	0.480	20	30		CCEDRM
C#CCN(C)C(=O)CCNS(=O)(=O)c1cccs1	ZINC000191129663	389006791	/nfs/dbraw/zinc/00/67/91/389006791.db2.gz	QCMAONMWYZWYCZ-UHFFFAOYSA-N	-1	0	286.378	0.508	20	30		CCEDRM
CCS(=O)(=O)[N-]c1ccccc1C(=O)NCC#N	ZINC000355712433	389114188	/nfs/dbraw/zinc/11/41/88/389114188.db2.gz	WBGJEMZAGJMYFH-UHFFFAOYSA-N	-1	0	267.310	0.702	20	30		CCEDRM
C=CCN(CCOC)C(=O)CSc1n[nH]c(=O)[n-]1	ZINC000357173171	389131804	/nfs/dbraw/zinc/13/18/04/389131804.db2.gz	GKPVZTXYJBVHKN-UHFFFAOYSA-N	-1	0	272.330	0.263	20	30		CCEDRM
C=CCNC(=O)CN=c1[n-]nc(-c2ccon2)s1	ZINC000342914392	389255066	/nfs/dbraw/zinc/25/50/66/389255066.db2.gz	ARRHCYQOYQTACI-UHFFFAOYSA-N	-1	0	265.298	0.329	20	30		CCEDRM
C=CCC[C@H](NC(=O)[C@@H](C)n1cccn1)C(=O)[O-]	ZINC000262897334	389296392	/nfs/dbraw/zinc/29/63/92/389296392.db2.gz	LXHDGABLCCRIAZ-ZJUUUORDSA-N	-1	0	251.286	0.980	20	30		CCEDRM
C[C@H]1C[C@@H](C(=O)[N-]S(=O)(=O)c2cncc(C#N)c2)CO1	ZINC000408489605	389367775	/nfs/dbraw/zinc/36/77/75/389367775.db2.gz	UPHCBLOQRKRGQR-WCBMZHEXSA-N	-1	0	295.320	0.183	20	30		CCEDRM
CCO[N-]C(=O)[C@@H](C)NS(=O)(=O)c1ccc(C#N)cc1	ZINC000268749238	389390102	/nfs/dbraw/zinc/39/01/02/389390102.db2.gz	UNCDRABLPYPRAU-SECBINFHSA-N	-1	0	297.336	0.293	20	30		CCEDRM
CC(C)(C#N)CNC(=O)N=c1[n-]nc2ccccn21	ZINC000349366029	389413535	/nfs/dbraw/zinc/41/35/35/389413535.db2.gz	IBLHBJIYBHRKFS-UHFFFAOYSA-N	-1	0	258.285	0.822	20	30		CCEDRM
C[C@@H]1CCN(S(=O)(=O)[N-]c2nn(C)cc2C#N)C1	ZINC000349972383	389471379	/nfs/dbraw/zinc/47/13/79/389471379.db2.gz	ZKAWWXFVCZRPDT-MRVPVSSYSA-N	-1	0	269.330	0.290	20	30		CCEDRM
Cc1nc(C(=O)N=c2nc3n([n-]2)CCCC3)ccc1C#N	ZINC000333575589	389428355	/nfs/dbraw/zinc/42/83/55/389428355.db2.gz	YWRYSZQJYYTEAI-UHFFFAOYSA-N	-1	0	282.307	0.864	20	30		CCEDRM
N#C[C@H]1COCCN1C(=O)c1ccc([N+](=O)[O-])c([O-])c1	ZINC000175902547	389549320	/nfs/dbraw/zinc/54/93/20/389549320.db2.gz	CIKQFBAOKFEZSK-VIFPVBQESA-N	-1	0	277.236	0.665	20	30		CCEDRM
CCCc1nc(=NC(=O)N2CCO[C@@H](C#N)C2)s[n-]1	ZINC000351018056	389560824	/nfs/dbraw/zinc/56/08/24/389560824.db2.gz	UBTUKSMSPWRTEY-QMMMGPOBSA-N	-1	0	281.341	0.669	20	30		CCEDRM
C=CCn1c(COCC)n[n-]c1=Nc1cnn(C)c1	ZINC000351109162	389565118	/nfs/dbraw/zinc/56/51/18/389565118.db2.gz	AEKILJWCTLKTFS-UHFFFAOYSA-N	-1	0	262.317	0.900	20	30		CCEDRM
C=C[C@@H]1OCCC[C@H]1C(=O)NC[C@@H](OC)C(=O)[O-]	ZINC000425230486	389642218	/nfs/dbraw/zinc/64/22/18/389642218.db2.gz	CFWMYRUNJISCPZ-KXUCPTDWSA-N	-1	0	257.286	0.183	20	30		CCEDRM
C=CCCn1cc(C(=O)N2C[C@@H](OC)C[C@@H]2C(=O)[O-])nn1	ZINC000425239758	389642457	/nfs/dbraw/zinc/64/24/57/389642457.db2.gz	KXFNNROWRZVYRG-GXSJLCMTSA-N	-1	0	294.311	0.168	20	30		CCEDRM
C=CCOc1ccc(C(=O)NCCc2nc(=O)o[n-]2)cc1	ZINC000447637660	389960866	/nfs/dbraw/zinc/96/08/66/389960866.db2.gz	VLBZEDZSNUBOGO-UHFFFAOYSA-N	-1	0	289.291	0.900	20	30		CCEDRM
C=C(C)COCCNC(=O)C(=O)N1CCC[C@H](C(=O)[O-])C1	ZINC000420560777	390012727	/nfs/dbraw/zinc/01/27/27/390012727.db2.gz	NKPFAIAOAMWETJ-NSHDSACASA-N	-1	0	298.339	0.019	20	30		CCEDRM
C=CCn1cc(C(=O)N[C@H]2CC[C@@H](C(=O)[O-])C2)nn1	ZINC000647779780	390170105	/nfs/dbraw/zinc/17/01/05/390170105.db2.gz	QPVDDLXKLXHSKV-BDAKNGLRSA-N	-1	0	264.285	0.447	20	30		CCEDRM
C[C@H](CC#N)N(C)S(=O)(=O)N[C@@H]1C=C[C@H](C(=O)[O-])C1	ZINC000583325704	390284132	/nfs/dbraw/zinc/28/41/32/390284132.db2.gz	WCXBTCYDKJTLQD-KXUCPTDWSA-N	-1	0	287.341	0.084	20	30		CCEDRM
C[C@H](C#N)CN(C)S(=O)(=O)NC[C@@H](C)CCC(=O)[O-]	ZINC000584354303	390338169	/nfs/dbraw/zinc/33/81/69/390338169.db2.gz	IVTVPVOQWHPHRL-VHSXEESVSA-N	-1	0	291.373	0.413	20	30		CCEDRM
COC(=O)N1CCC[C@H](C(=O)N=c2[nH][n-]c(C)c2C#N)C1	ZINC000497081571	390414322	/nfs/dbraw/zinc/41/43/22/390414322.db2.gz	NGSMSRLBIJPHJL-VIFPVBQESA-N	-1	0	291.311	0.429	20	30		CCEDRM
C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H](c1nnn[n-]1)c1ccccc1	ZINC000648894472	390437339	/nfs/dbraw/zinc/43/73/39/390437339.db2.gz	MKHVUUZNZSSAOC-FRRDWIJNSA-N	-1	0	299.334	0.996	20	30		CCEDRM
C=CCCCS(=O)(=O)N1CC([C@H](C)C(=O)[O-])C1	ZINC000562373678	390488860	/nfs/dbraw/zinc/48/88/60/390488860.db2.gz	VHFYYWATCGYRSB-VIFPVBQESA-N	-1	0	261.343	0.935	20	30		CCEDRM
C=C[C@@H](CCC(=O)[O-])NS(=O)(=O)c1ccc(C#N)o1	ZINC000562651196	390490323	/nfs/dbraw/zinc/49/03/23/390490323.db2.gz	MMJPTYQZSWVATD-QMMMGPOBSA-N	-1	0	284.293	0.849	20	30		CCEDRM
C=CCC[C@@H](NC(=O)CNC(=O)C1CC1)C(=O)[O-]	ZINC000562649289	390490680	/nfs/dbraw/zinc/49/06/80/390490680.db2.gz	MGWQLFREXKJWGN-SECBINFHSA-N	-1	0	254.286	0.048	20	30		CCEDRM
C=C[C@@H]1OCC[C@H]1CNC(=O)c1cnc(C(=O)[O-])cn1	ZINC000562968557	390491266	/nfs/dbraw/zinc/49/12/66/390491266.db2.gz	QYEGAGNPDNDNBX-KWQFWETISA-N	-1	0	277.280	0.496	20	30		CCEDRM
C=CCC1(C(=O)N(CCOC)CC(=O)[O-])CCOCC1	ZINC000643846305	390581739	/nfs/dbraw/zinc/58/17/39/390581739.db2.gz	JJWOIJCXRAQQKU-UHFFFAOYSA-N	-1	0	285.340	0.919	20	30		CCEDRM
C=CCn1cc(C(=O)N[C@](C)(C(=O)[O-])C2CC2)nn1	ZINC000649246072	390534998	/nfs/dbraw/zinc/53/49/98/390534998.db2.gz	LLQSDHJCQAIMRC-LBPRGKRZSA-N	-1	0	264.285	0.447	20	30		CCEDRM
C[C@@H](C(=O)N(C)C)S(=O)(=O)[N-]c1cc(CC#N)ccn1	ZINC000520851107	390590449	/nfs/dbraw/zinc/59/04/49/390590449.db2.gz	UVMCBKZKUBOMDE-VIFPVBQESA-N	-1	0	296.352	0.366	20	30		CCEDRM
CC#CC[C@@H](CO)NC(=O)N=c1[n-]nc(C(F)F)s1	ZINC000646243638	390648308	/nfs/dbraw/zinc/64/83/08/390648308.db2.gz	KRBPYQPTOFKOCX-LURJTMIESA-N	-1	0	290.295	0.793	20	30		CCEDRM
CC[C@H](CNS(=O)(=O)N(C)[C@@H](C)CC#N)CC(=O)[O-]	ZINC000569697410	390716327	/nfs/dbraw/zinc/71/63/27/390716327.db2.gz	AZGMVUJCICOPRB-UWVGGRQHSA-N	-1	0	291.373	0.556	20	30		CCEDRM
C=C(C)[C@H]1OCC[C@H]1C(=O)NCC1(C(=O)[O-])CCOCC1	ZINC000569728688	390716469	/nfs/dbraw/zinc/71/64/69/390716469.db2.gz	UUBPUPUUNAYNPA-VXGBXAGGSA-N	-1	0	297.351	0.965	20	30		CCEDRM
CC[C@H](NS(=O)(=O)N(CC)C[C@@H](C)C#N)C(=O)[O-]	ZINC000570280610	390718240	/nfs/dbraw/zinc/71/82/40/390718240.db2.gz	AISFWFXEDZTLRX-IUCAKERBSA-N	-1	0	277.346	0.166	20	30		CCEDRM
CN(CCC(=O)[O-])S(=O)(=O)CC1(CC#N)CC1	ZINC000570455372	390718681	/nfs/dbraw/zinc/71/86/81/390718681.db2.gz	OHFRDLZOHDVHFV-UHFFFAOYSA-N	-1	0	260.315	0.417	20	30		CCEDRM
C=CCS(=O)(=O)[N-]C(=O)[C@H]1[C@@H](C)[C@H](C)O[C@H]1C	ZINC000528974652	390785968	/nfs/dbraw/zinc/78/59/68/390785968.db2.gz	XVXMVGFDCYXMEP-XKNYDFJKSA-N	-1	0	261.343	0.678	20	30		CCEDRM
CN(CCC#N)S(=O)(=O)N1CCCC[C@]1(C)C(=O)[O-]	ZINC000578407301	390881729	/nfs/dbraw/zinc/88/17/29/390881729.db2.gz	MDQFWGYHGZSQBW-LLVKDONJSA-N	-1	0	289.357	0.406	20	30		CCEDRM
CC(C)[C@H](C)C(=O)N1CC(n2cc(C#N)c(=O)[n-]c2=O)C1	ZINC000530270823	390875947	/nfs/dbraw/zinc/87/59/47/390875947.db2.gz	WNLOKWVUGGTDRF-VIFPVBQESA-N	-1	0	290.323	0.496	20	30		CCEDRM
C[C@H]([C@H](NS(=O)(=O)CC1(C#N)CC1)C(=O)[O-])C1CC1	ZINC000573070548	390820580	/nfs/dbraw/zinc/82/05/80/390820580.db2.gz	BCALHXQSYYHSOV-WPRPVWTQSA-N	-1	0	286.353	0.709	20	30		CCEDRM
C=CCCCCNC(=O)C(=O)N[C@H]1CC[C@@H](C(=O)[O-])C1	ZINC000647591085	390844682	/nfs/dbraw/zinc/84/46/82/390844682.db2.gz	MWEHDXYSKLNPGU-MNOVXSKESA-N	-1	0	282.340	0.828	20	30		CCEDRM
C=CCC[C@@H](NC(=O)Cc1nc(C2CC2)nn1C)C(=O)[O-]	ZINC000647598240	390847790	/nfs/dbraw/zinc/84/77/90/390847790.db2.gz	JADGVPWENFEYKC-SNVBAGLBSA-N	-1	0	292.339	0.771	20	30		CCEDRM
CSc1[n-]c(=O)c(C(=O)NCC(C)(C)O)cc1C#N	ZINC000359247149	144205908	/nfs/dbraw/zinc/20/59/08/144205908.db2.gz	CJBOFRIBNOQOGS-UHFFFAOYSA-N	-1	0	281.337	0.881	20	30		CCEDRM
Cn1c(C#N)ccc1C(=O)[N-]S(=O)(=O)C1(C)CC1	ZINC000408501907	144477592	/nfs/dbraw/zinc/47/75/92/144477592.db2.gz	YSCOJFCSGPGVDC-UHFFFAOYSA-N	-1	0	267.310	0.509	20	30		CCEDRM
C=CCCS(=O)(=O)N1C[C@@H](C)O[C@@H](C(=O)[O-])C1	ZINC000650445401	397720309	/nfs/dbraw/zinc/72/03/09/397720309.db2.gz	FGXMNPUOTAOBIC-RKDXNWHRSA-N	-1	0	263.315	0.066	20	30		CCEDRM
C=C(C)CS(=O)(=O)N1C[C@@H](C)O[C@@H](C(=O)[O-])C1	ZINC000650446461	397720611	/nfs/dbraw/zinc/72/06/11/397720611.db2.gz	ZDCINRCDGOBQQW-RKDXNWHRSA-N	-1	0	263.315	0.066	20	30		CCEDRM
C=CCNC(=O)NC(=O)COc1cccc(C(=O)[O-])c1	ZINC000013418934	170549445	/nfs/dbraw/zinc/54/94/45/170549445.db2.gz	RJUZSVXYIISHOT-UHFFFAOYSA-N	-1	0	278.264	0.775	20	30		CCEDRM
N#Cc1ccc(CS(=O)(=O)NCCC(=O)[O-])cc1	ZINC000021508008	171308963	/nfs/dbraw/zinc/30/89/63/171308963.db2.gz	SJTQUAMOZGFPCT-UHFFFAOYSA-N	-1	0	268.294	0.452	20	30		CCEDRM
C=CCN(C(=O)C(=O)NCCCC(=O)[O-])[C@H](C)COC	ZINC000659656602	413758148	/nfs/dbraw/zinc/75/81/48/413758148.db2.gz	TYRVXBNBGILOAX-SNVBAGLBSA-N	-1	0	286.328	0.017	20	30		CCEDRM
C=CCCNC(=O)C(=O)N1CC[C@@H](C)[C@H](C(=O)[O-])C1	ZINC000659662991	413760909	/nfs/dbraw/zinc/76/09/09/413760909.db2.gz	JCIOJXFNXOETEF-NXEZZACHSA-N	-1	0	268.313	0.248	20	30		CCEDRM
C=CCCn1cc(CN2CC[C@@H](OC)C[C@H]2C(=O)[O-])nn1	ZINC000659794569	413877269	/nfs/dbraw/zinc/87/72/69/413877269.db2.gz	RLKZWNWJLLVNKA-OLZOCXBDSA-N	-1	0	294.355	0.918	20	30		CCEDRM
C=CCOc1ccc(C(=O)N[C@H](CO)C(=O)[O-])cc1	ZINC000036977380	172844555	/nfs/dbraw/zinc/84/45/55/172844555.db2.gz	QWMFDPDGVYKYHS-LLVKDONJSA-N	-1	0	265.265	0.427	20	30		CCEDRM
C[C@@H](Oc1ccc(C#N)cc1)C(=O)N[C@@H](C)C(=O)[O-]	ZINC000037410222	173186489	/nfs/dbraw/zinc/18/64/89/173186489.db2.gz	DJHMAOLRGQFZSY-DTWKUNHWSA-N	-1	0	262.265	0.915	20	30		CCEDRM
C[C@@H](CC(=O)[O-])NC(=O)COc1ccc(C#N)cc1	ZINC000037412290	173189150	/nfs/dbraw/zinc/18/91/50/173189150.db2.gz	VGYJHPDGSNMZGF-VIFPVBQESA-N	-1	0	262.265	0.916	20	30		CCEDRM
C=CCOCCNC(=O)N[C@@H](C(=O)[O-])C1CCOCC1	ZINC000663263723	415030626	/nfs/dbraw/zinc/03/06/26/415030626.db2.gz	AIXQEXQBGWYQQT-LLVKDONJSA-N	-1	0	286.328	0.368	20	30		CCEDRM
C=C(C)CS(=O)(=O)NC[C@H](C(=O)[O-])C1CCC1	ZINC000663256561	415031035	/nfs/dbraw/zinc/03/10/35/415031035.db2.gz	WKDPPGFUPSYZGM-JTQLQIEISA-N	-1	0	261.343	0.983	20	30		CCEDRM
C[C@H](OC[C@H]1CCCCO1)C(=O)NCc1n[nH]c(=O)[n-]1	ZINC000330060403	228029704	/nfs/dbraw/zinc/02/97/04/228029704.db2.gz	MPVAFTVVEODTQU-DTWKUNHWSA-N	-1	0	284.316	0.941	20	30		CCEDRM
C=CCCCN(C)S(=O)(=O)N1CCC[C@H](C(=O)[O-])C1	ZINC000135971348	544638251	/nfs/dbraw/zinc/63/82/51/544638251.db2.gz	BLDPBRXUVYBZQT-NSHDSACASA-N	-1	0	290.385	0.926	20	30		CCEDRM
CS(=O)(=O)[N-]C(=O)CCNC(=O)c1ccsc1	ZINC000042279415	260185700	/nfs/dbraw/zinc/18/57/00/260185700.db2.gz	AZXFLMBQQZJAAT-UHFFFAOYSA-N	-1	0	276.339	0.784	20	30		CCEDRM
CC(C)(C)c1[n-]n(CC(N)=O)c(=O)c1CCC#N	ZINC000151836291	261055908	/nfs/dbraw/zinc/05/59/08/261055908.db2.gz	CEZFWYVZPNDPGL-UHFFFAOYSA-N	-1	0	250.302	0.828	20	30		CCEDRM
N#CCCCNC(=O)c1c[nH]c2nc(=O)[n-]c(=O)c-2c1	ZINC000273135628	263013000	/nfs/dbraw/zinc/01/30/00/263013000.db2.gz	VVVNXIJJKMDLCA-UHFFFAOYSA-N	-1	0	273.252	0.470	20	30		CCEDRM
N#CC1(NC(=O)c2c[nH]c3nc(=O)[n-]c(=O)c-3c2)CCC1	ZINC000299501504	263244287	/nfs/dbraw/zinc/24/42/87/263244287.db2.gz	KECQVPLWDRYYKN-UHFFFAOYSA-N	-1	0	285.263	0.612	20	30		CCEDRM
C=CC[C@H](CO)CNC(=O)N=c1[n-]nc(C)s1	ZINC000340917827	263314425	/nfs/dbraw/zinc/31/44/25/263314425.db2.gz	PCMMTDZWSBBHOC-QMMMGPOBSA-N	-1	0	256.331	0.575	20	30		CCEDRM
COc1ccc(=NC(=O)NC[C@@H]2CCSC2)[n-]n1	ZINC000328936013	263894027	/nfs/dbraw/zinc/89/40/27/263894027.db2.gz	ANGFBJBBRSHQBE-QMMMGPOBSA-N	-1	0	268.342	0.986	20	30		CCEDRM
CC[C@@H](C#N)/N=C(/[O-])c1cnc2n(c1=O)CCS2	ZINC000330536393	263970503	/nfs/dbraw/zinc/97/05/03/263970503.db2.gz	PURMEAKFEGLJIJ-ZETCQYMHSA-N	-1	0	264.310	0.956	20	30		CCEDRM
C#CC[C@H](NS(=O)(=O)CC1CCCCC1)C(=O)[O-]	ZINC000161256438	264279439	/nfs/dbraw/zinc/27/94/39/264279439.db2.gz	GFXMWUFEQFBLMK-NSHDSACASA-N	-1	0	273.354	0.963	20	30		CCEDRM
C=CC[C@@H](NS(=O)(=O)c1c(C)noc1C)C(=O)[O-]	ZINC000161293494	264279554	/nfs/dbraw/zinc/27/95/54/264279554.db2.gz	VPDLBURZBPEXCR-MRVPVSSYSA-N	-1	0	274.298	0.599	20	30		CCEDRM
C=CCCCCCN(C)C(=O)CN1CC(=O)NC1=O	ZINC000128719841	264303262	/nfs/dbraw/zinc/30/32/62/264303262.db2.gz	TVNZUMJOHXIPKZ-UHFFFAOYSA-N	-1	0	267.329	0.743	20	30		CCEDRM
C=C(Cl)C[N-]S(=O)(=O)c1scnc1C(=O)OC	ZINC000163182201	264344995	/nfs/dbraw/zinc/34/49/95/264344995.db2.gz	IKKOJKLCQJXBLD-UHFFFAOYSA-N	-1	0	296.757	0.961	20	30		CCEDRM
C#CCSCCNC(=O)N1CC[C@H](C(=O)[O-])C1	ZINC000231959496	264804803	/nfs/dbraw/zinc/80/48/03/264804803.db2.gz	WKKATYFCGZHDCD-VIFPVBQESA-N	-1	0	256.327	0.469	20	30		CCEDRM
C=CCCCS(=O)(=O)N1CSC[C@@H]1C(=O)[O-]	ZINC000291943716	264849735	/nfs/dbraw/zinc/84/97/35/264849735.db2.gz	YLPAHYHGFMWTAG-MRVPVSSYSA-N	-1	0	265.356	0.742	20	30		CCEDRM
Cc1cc(C)n2[n-]c(=NC(=O)NCC(C)(C)C#N)nc2n1	ZINC000358822366	266497155	/nfs/dbraw/zinc/49/71/55/266497155.db2.gz	UUYGCVDNJPSDTQ-UHFFFAOYSA-N	-1	0	287.327	0.834	20	30		CCEDRM
N#CCCCS(=O)(=O)N1CCC(F)(F)[C@@H](C(=O)[O-])C1	ZINC000367499671	267095169	/nfs/dbraw/zinc/09/51/69/267095169.db2.gz	FUVYJCQLFCQMJO-MRVPVSSYSA-N	-1	0	296.295	0.662	20	30		CCEDRM
Cc1ncc(S(=O)(=O)[N-]c2c[nH]cn2)cc1C#N	ZINC000521738445	268087701	/nfs/dbraw/zinc/08/77/01/268087701.db2.gz	WKEXRPAJWDPGAZ-UHFFFAOYSA-N	-1	0	263.282	0.786	20	30		CCEDRM
C=CC[C@@H](CC)NC(=O)N1CCO[C@@H](C(=O)[O-])C1	ZINC000393769027	545087829	/nfs/dbraw/zinc/08/78/29/545087829.db2.gz	WDJUNNVOXJXJCN-NXEZZACHSA-N	-1	0	256.302	0.836	20	30		CCEDRM
C=CCOCCNC(=O)N([C@H](C)C(=O)[O-])C1CC1	ZINC000394951514	545088322	/nfs/dbraw/zinc/08/83/22/545088322.db2.gz	MOHUJODRHABVAV-SECBINFHSA-N	-1	0	256.302	0.836	20	30		CCEDRM
C[C@H]1C[C@@H](C(=O)Nc2nc(C#N)c(C#N)[n-]2)CCO1	ZINC000345274754	300405143	/nfs/dbraw/zinc/40/51/43/300405143.db2.gz	VPKMWJSZHBESPA-YUMQZZPRSA-N	-1	0	259.269	0.907	20	30		CCEDRM
Cc1ccn2ncc(C(=O)Nc3nc(C#N)c(C#N)[n-]3)c2n1	ZINC000358362218	302266182	/nfs/dbraw/zinc/26/61/82/302266182.db2.gz	DCCAQDWHZLGPIQ-UHFFFAOYSA-N	-1	0	292.262	0.756	20	30		CCEDRM
C=CCCOCCNS(=O)(=O)c1cc(C(=O)[O-])co1	ZINC000571281099	328096885	/nfs/dbraw/zinc/09/68/85/328096885.db2.gz	CSXNOMVIFXQCDA-UHFFFAOYSA-N	-1	0	289.309	0.849	20	30		CCEDRM
CC[C@@](C)(C#N)C(=O)N(C)C[C@@H](C)c1nnn[n-]1	ZINC000285953143	328248322	/nfs/dbraw/zinc/24/83/22/328248322.db2.gz	COGILFMFSHSAFY-KCJUWKMLSA-N	-1	0	250.306	0.701	20	30		CCEDRM
C[C@@H]1[C@H]([N-]C(=O)C(F)(F)F)CCCN1C(=O)CC#N	ZINC000293596399	328276955	/nfs/dbraw/zinc/27/69/55/328276955.db2.gz	BOBDPVOHRJVFQB-HTQZYQBOSA-N	-1	0	277.246	0.958	20	30		CCEDRM
C=CCOc1ccccc1CNC(=O)c1nc(=O)[nH][n-]1	ZINC000111644814	328372098	/nfs/dbraw/zinc/37/20/98/328372098.db2.gz	IDTFMNPLNQBNAY-UHFFFAOYSA-N	-1	0	274.280	0.593	20	30		CCEDRM
C#CCO[N-]C(=O)[C@H]1CC(=O)N(C)[C@H]1c1cccnc1	ZINC000291010466	328532948	/nfs/dbraw/zinc/53/29/48/328532948.db2.gz	AVJMIPAJXBVHNB-AAEUAGOBSA-N	-1	0	273.292	0.282	20	30		CCEDRM
N#C[C@H]1N(Cc2n[nH]c(=O)[n-]2)CCC[C@@]12CCCCO2	ZINC000569433971	327176435	/nfs/dbraw/zinc/17/64/35/327176435.db2.gz	WNKFDTCEADDPMH-MFKMUULPSA-N	-1	0	277.328	0.938	20	30		CCEDRM
C=C(C)CS(=O)(=O)NCc1ccc(C(=O)[O-])o1	ZINC000583379408	327334584	/nfs/dbraw/zinc/33/45/84/327334584.db2.gz	UETKHQDUOVHLLX-UHFFFAOYSA-N	-1	0	259.283	0.973	20	30		CCEDRM
C=C(C)[C@@H]1OCC[C@H]1CNC(=O)N[C@@H](CF)C(=O)[O-]	ZINC000583425667	327356790	/nfs/dbraw/zinc/35/67/90/327356790.db2.gz	ZLQHRQSFGKAXIB-GUBZILKMSA-N	-1	0	274.292	0.690	20	30		CCEDRM
C=C[C@@H](CCC(=O)[O-])NS(=O)(=O)c1c(C)onc1N	ZINC000583443836	327368736	/nfs/dbraw/zinc/36/87/36/327368736.db2.gz	DNFWUHKERZUXES-ZETCQYMHSA-N	-1	0	289.313	0.093	20	30		CCEDRM
CC[C@@H](CCNS(=O)(=O)N(C)C[C@H](C)C#N)C(=O)[O-]	ZINC000565054605	327426282	/nfs/dbraw/zinc/42/62/82/327426282.db2.gz	AGXSDVYXXURJRZ-ZJUUUORDSA-N	-1	0	291.373	0.413	20	30		CCEDRM
C=CCOC[C@@H](NC(=O)NC[C@@]1(C)CCOC1)C(=O)[O-]	ZINC000562459802	327482687	/nfs/dbraw/zinc/48/26/87/327482687.db2.gz	RYXJPJITPVMLHP-ZWNOBZJWSA-N	-1	0	286.328	0.368	20	30		CCEDRM
C[C@H]1CCN(S(=O)(=O)N(C)CCC#N)C[C@@H]1C(=O)[O-]	ZINC000570397641	327588761	/nfs/dbraw/zinc/58/87/61/327588761.db2.gz	PJZPCEDULXTYNM-UWVGGRQHSA-N	-1	0	289.357	0.119	20	30		CCEDRM
C[C@@H]1CCC[C@H](C)N1C(=O)Cn1c(=O)[n-]cc(C#N)c1=O	ZINC000584350740	328731429	/nfs/dbraw/zinc/73/14/29/328731429.db2.gz	ZYZUMDSNFDJAMZ-AOOOYVTPSA-N	-1	0	290.323	0.198	20	30		CCEDRM
C=C[C@@H](CCC(=O)[O-])NS(=O)(=O)c1cccn1C	ZINC000582288459	328950701	/nfs/dbraw/zinc/95/07/01/328950701.db2.gz	ORDPTPFNUXHVLE-VIFPVBQESA-N	-1	0	272.326	0.723	20	30		CCEDRM
C=CCOC[C@H](NC(=O)c1cc(C(C)C)n[nH]1)C(=O)[O-]	ZINC000263028439	330039564	/nfs/dbraw/zinc/03/95/64/330039564.db2.gz	OHQZYZHAPCSQQO-NSHDSACASA-N	-1	0	281.312	0.919	20	30		CCEDRM
C=CCC[C@@H](NC(=O)c1cc(OC)no1)C(=O)[O-]	ZINC000263036664	330039925	/nfs/dbraw/zinc/03/99/25/330039925.db2.gz	ZIYDTMMJDQNTCB-SSDOTTSWSA-N	-1	0	254.242	0.832	20	30		CCEDRM
C=CCOC[C@H](NC(=O)Cc1ccc(O)cc1)C(=O)[O-]	ZINC000263083682	330042559	/nfs/dbraw/zinc/04/25/59/330042559.db2.gz	SDXAVVHBDDVASE-LBPRGKRZSA-N	-1	0	279.292	0.707	20	30		CCEDRM
C=CCOC[C@@H](NC(=O)COc1ccc(F)cc1)C(=O)[O-]	ZINC000263083774	330042681	/nfs/dbraw/zinc/04/26/81/330042681.db2.gz	SFSRIXAZDNOKLJ-GFCCVEGCSA-N	-1	0	297.282	0.977	20	30		CCEDRM
C[C@@H]1CC[C@H](C(=O)[O-])CN1S(=O)(=O)CCCC#N	ZINC000263159231	330046534	/nfs/dbraw/zinc/04/65/34/330046534.db2.gz	QJIISKMRHHAKBC-ZJUUUORDSA-N	-1	0	274.342	0.805	20	30		CCEDRM
C[C@@H]1C[C@@H](C(=O)[O-])CN(S(=O)(=O)CCC#N)C1	ZINC000263207618	330049310	/nfs/dbraw/zinc/04/93/10/330049310.db2.gz	NCNKZYGFWWMVHC-RKDXNWHRSA-N	-1	0	260.315	0.272	20	30		CCEDRM
C[C@H]1C[C@H](C(=O)[O-])CN(S(=O)(=O)CCCC#N)C1	ZINC000263238160	330050467	/nfs/dbraw/zinc/05/04/67/330050467.db2.gz	RHOSOPUVYACSKX-UWVGGRQHSA-N	-1	0	274.342	0.663	20	30		CCEDRM
CCN(C[C@H](C)C#N)S(=O)(=O)N(C)C[C@@H](C)C(=O)[O-]	ZINC000263502941	330058191	/nfs/dbraw/zinc/05/81/91/330058191.db2.gz	ULMQMRRZINBVKV-NXEZZACHSA-N	-1	0	291.373	0.365	20	30		CCEDRM
N#CCCS(=O)(=O)N[C@H](Cc1ccccc1)C(=O)[O-]	ZINC000263546128	330059429	/nfs/dbraw/zinc/05/94/29/330059429.db2.gz	HBUWPJKNFPUFAL-LLVKDONJSA-N	-1	0	282.321	0.515	20	30		CCEDRM
C=CC[C@@H](C)NS(=O)(=O)c1n[nH]cc1C(=O)[O-]	ZINC000162561766	330069928	/nfs/dbraw/zinc/06/99/28/330069928.db2.gz	WLKILNBQJGEICW-ZCFIWIBFSA-N	-1	0	259.287	0.351	20	30		CCEDRM
C=C(C)CN(CC)C(=O)C(=O)N1C[C@@H](C)C[C@H](C(=O)[O-])C1	ZINC000422715112	330151744	/nfs/dbraw/zinc/15/17/44/330151744.db2.gz	RUFDZLKEBDOAEY-RYUDHWBXSA-N	-1	0	296.367	0.980	20	30		CCEDRM
C=C[C@@H]1CCCCN1C(=O)C(=O)N(C)CCCC(=O)[O-]	ZINC000422904304	330159363	/nfs/dbraw/zinc/15/93/63/330159363.db2.gz	GSUPPXHRCQDYTM-LLVKDONJSA-N	-1	0	282.340	0.877	20	30		CCEDRM
C=C[C@@H](C)[C@H](NC(=O)c1noc2c1COCC2)C(=O)[O-]	ZINC000527595247	330264997	/nfs/dbraw/zinc/26/49/97/330264997.db2.gz	PIXYRKZJIKPJEF-XCBNKYQSSA-N	-1	0	280.280	0.752	20	30		CCEDRM
C=C[C@@H]1OCC[C@H]1CNC(=O)[C@@H](C)O[C@@H](C)C(=O)[O-]	ZINC000424526329	330365574	/nfs/dbraw/zinc/36/55/74/330365574.db2.gz	BQXVVPAITSVPBQ-RCWTZXSCSA-N	-1	0	271.313	0.572	20	30		CCEDRM
C=CCC[C@@H](CO)NC(=O)N=c1nc2n([n-]1)CCCC2	ZINC000456011030	331182375	/nfs/dbraw/zinc/18/23/75/331182375.db2.gz	LDOQCKMXKFYKCN-JTQLQIEISA-N	-1	0	279.344	0.485	20	30		CCEDRM
C#C[C@H](CC)NC(=O)N=c1[n-]nc(CC(=O)OCC)s1	ZINC000491192837	332163338	/nfs/dbraw/zinc/16/33/38/332163338.db2.gz	SMGAMILDFHDJQP-MRVPVSSYSA-N	-1	0	296.352	0.599	20	30		CCEDRM
C#CCN(C(=O)C(=O)N=c1ncn(C(C)(C)C)[n-]1)C1CC1	ZINC000491465679	332217116	/nfs/dbraw/zinc/21/71/16/332217116.db2.gz	XETFHCQJKYRRIE-UHFFFAOYSA-N	-1	0	289.339	0.018	20	30		CCEDRM
C#C[C@@H]1COCCN1C(=O)c1cc([O-])cc([N+](=O)[O-])c1	ZINC000491699309	332294068	/nfs/dbraw/zinc/29/40/68/332294068.db2.gz	UQHOFLBMFBYHCA-SNVBAGLBSA-N	-1	0	276.248	0.775	20	30		CCEDRM
CC(C)COC(=O)N1CCC(=NNCC(=O)[O-])CC1	ZINC000495795563	332530164	/nfs/dbraw/zinc/53/01/64/332530164.db2.gz	PSTLQUTWEZTOCA-UHFFFAOYSA-N	-1	0	271.317	0.905	20	30		CCEDRM
C=CCO[N-]C(=O)C1(O)CN(C(=O)OC(C)(C)C)C1	ZINC000496123334	332539467	/nfs/dbraw/zinc/53/94/67/332539467.db2.gz	OAZHROCGMNGDJF-UHFFFAOYSA-N	-1	0	272.301	0.202	20	30		CCEDRM
C=CCO[N-]C(=O)CNC(=O)OCC(F)(F)F	ZINC000496486790	332551071	/nfs/dbraw/zinc/55/10/71/332551071.db2.gz	PONJLZSOFOWTKJ-UHFFFAOYSA-N	-1	0	256.180	0.509	20	30		CCEDRM
CC[C@@H](CCNS(=O)(=O)N(C)[C@@H](C)CC#N)C(=O)[O-]	ZINC000516575180	332601556	/nfs/dbraw/zinc/60/15/56/332601556.db2.gz	YJNYVZZNAHUEGW-UWVGGRQHSA-N	-1	0	291.373	0.556	20	30		CCEDRM
CO[C@H](CNS(=O)(=O)CC1(CC#N)CC1)CC(=O)[O-]	ZINC000516973264	333088579	/nfs/dbraw/zinc/08/85/79/333088579.db2.gz	BWEARRXUGFCHNA-VIFPVBQESA-N	-1	0	290.341	0.089	20	30		CCEDRM
C[C@H](C#N)CN(C)S(=O)(=O)N[C@@H]1CC[C@H](C(=O)[O-])C1	ZINC000517235998	333095497	/nfs/dbraw/zinc/09/54/97/333095497.db2.gz	FRLDCABECJQKAA-KXUCPTDWSA-N	-1	0	289.357	0.166	20	30		CCEDRM
C=CCCCS(=O)(=O)N[C@H](C(=O)[O-])[C@H](O)CCC	ZINC000521159710	333112776	/nfs/dbraw/zinc/11/27/76/333112776.db2.gz	QDYZWJWFZJQKMZ-ZJUUUORDSA-N	-1	0	279.358	0.486	20	30		CCEDRM
C=CCN(CC(=O)[O-])S(=O)(=O)CC(C)(C)OC	ZINC000575993047	335139639	/nfs/dbraw/zinc/13/96/39/335139639.db2.gz	SJHIGTMPROKEGK-UHFFFAOYSA-N	-1	0	265.331	0.314	20	30		CCEDRM
C=CCS(=O)(=O)[N-]C(=O)[C@H]1C[C@@]1(C)Br	ZINC000528974458	333467067	/nfs/dbraw/zinc/46/70/67/333467067.db2.gz	VIMWMSSLOSJSSA-HTRCEHHLSA-N	-1	0	282.159	0.792	20	30		CCEDRM
C#CCNC(=O)c1ccccc1[N-]S(=O)(=O)CC	ZINC000072027162	333896175	/nfs/dbraw/zinc/89/61/75/333896175.db2.gz	NZHLMKASLOPHGL-UHFFFAOYSA-N	-1	0	266.322	0.811	20	30		CCEDRM
CN(CCC#N)S(=O)(=O)N1CCC(C)(C(=O)[O-])CC1	ZINC000547919067	334129293	/nfs/dbraw/zinc/12/92/93/334129293.db2.gz	WUHCNALIYZVTDC-UHFFFAOYSA-N	-1	0	289.357	0.263	20	30		CCEDRM
CC[C@@H](C)[C@H](C(=O)[O-])N(C)S(=O)(=O)N(C)CCC#N	ZINC000548250801	334147139	/nfs/dbraw/zinc/14/71/39/334147139.db2.gz	ZBRCYHPQMGXTRE-NXEZZACHSA-N	-1	0	291.373	0.508	20	30		CCEDRM
CC(C)N(CCC(=O)[O-])S(=O)(=O)CCCC#N	ZINC000548547932	334162494	/nfs/dbraw/zinc/16/24/94/334162494.db2.gz	BGKPREURBBCIRC-UHFFFAOYSA-N	-1	0	262.331	0.805	20	30		CCEDRM
O=C(NCC#CCO)c1nn(-c2ccccc2)cc1[O-]	ZINC000550221186	334216359	/nfs/dbraw/zinc/21/63/59/334216359.db2.gz	JHAHIQOJOHYKGX-UHFFFAOYSA-N	-1	0	271.276	0.303	20	30		CCEDRM
C=C(C)CS(=O)(=O)N[C@H](C[C@@H]1CCOC1)C(=O)[O-]	ZINC000565058084	334536935	/nfs/dbraw/zinc/53/69/35/334536935.db2.gz	RWTSVJLBZJMLAU-VHSXEESVSA-N	-1	0	277.342	0.362	20	30		CCEDRM
C=C[C@@H](CCC(=O)[O-])NS(=O)(=O)c1cc(C)cnc1N	ZINC000568361763	334819578	/nfs/dbraw/zinc/81/95/78/334819578.db2.gz	OKXQJQVKGUVCEO-VIFPVBQESA-N	-1	0	299.352	0.670	20	30		CCEDRM
CC#CC[C@H](NS(=O)(=O)C[C@@H](C)COCC)C(=O)[O-]	ZINC000576520552	335212629	/nfs/dbraw/zinc/21/26/29/335212629.db2.gz	HNMVKKFEMGEPRN-QWRGUYRKSA-N	-1	0	291.369	0.445	20	30		CCEDRM
N#Cc1c[n-]c(=O)n(CC(=O)c2ccc3c(c2)CCC3)c1=O	ZINC000576943046	335267326	/nfs/dbraw/zinc/26/73/26/335267326.db2.gz	XXOWPOQWNHZPKB-UHFFFAOYSA-N	-1	0	295.298	0.780	20	30		CCEDRM
N#CCC1(CS(=O)(=O)NC2(C(=O)[O-])CC2)CC1	ZINC000577181090	335318105	/nfs/dbraw/zinc/31/81/05/335318105.db2.gz	LSRDVQDAHJRLLS-UHFFFAOYSA-N	-1	0	258.299	0.217	20	30		CCEDRM
CC(C)(C)c1cnc(Cn2c(=O)[n-]cc(C#N)c2=O)o1	ZINC000578322643	335608849	/nfs/dbraw/zinc/60/88/49/335608849.db2.gz	DGPJZIROYFJHCH-UHFFFAOYSA-N	-1	0	274.280	0.742	20	30		CCEDRM
C=C[C@H](CCC(=O)[O-])NS(=O)(=O)[C@H](C)COC	ZINC000578960746	335693421	/nfs/dbraw/zinc/69/34/21/335693421.db2.gz	LGIPPLTVILLAMO-RKDXNWHRSA-N	-1	0	265.331	0.360	20	30		CCEDRM
C=C[C@H](CCC(=O)[O-])NS(=O)(=O)C[C@@H]1CCCCO1	ZINC000579081415	335707003	/nfs/dbraw/zinc/70/70/03/335707003.db2.gz	PNTJFIBBAJPDKF-MNOVXSKESA-N	-1	0	291.369	0.894	20	30		CCEDRM
C#CCCNC(=O)NC[C@@H]1CCCN(C(=O)[O-])C1	ZINC000738457033	582052370	/nfs/dbraw/zinc/05/23/70/582052370.db2.gz	JBRVESISPVKHIW-JTQLQIEISA-N	-1	0	253.302	0.699	20	30		CCEDRM
N#Cc1ccc(N2CCS(=O)(=O)[C@H](C(=O)[O-])C2)c(F)c1	ZINC000424469273	534792319	/nfs/dbraw/zinc/79/23/19/534792319.db2.gz	KPSHBOQRSITVKV-NSHDSACASA-N	-1	0	298.295	0.385	20	30		CCEDRM
CSc1[n-]c(=O)c(C(=O)N[C@@H](C)CCO)cc1C#N	ZINC000340027090	526215013	/nfs/dbraw/zinc/21/50/13/526215013.db2.gz	LSASUMKCBBSADX-ZETCQYMHSA-N	-1	0	281.337	0.881	20	30		CCEDRM
C=CCn1c(-c2cnn(C)c2)n[n-]c1=Nc1cnn(C)c1	ZINC000350667266	527281030	/nfs/dbraw/zinc/28/10/30/527281030.db2.gz	OHKTUPLWABEXDP-UHFFFAOYSA-N	-1	0	284.327	0.764	20	30		CCEDRM
C=C[C@@H](CO)NC(=O)N=c1ccc(OC(C)C)n[n-]1	ZINC000350515149	527431638	/nfs/dbraw/zinc/43/16/38/527431638.db2.gz	VAHSNKDBJZGLED-VIFPVBQESA-N	-1	0	266.301	0.354	20	30		CCEDRM
CCCN1C[C@H](C(=O)N=c2[nH][n-]c(C)c2C#N)CC1=O	ZINC000412289276	528302690	/nfs/dbraw/zinc/30/26/90/528302690.db2.gz	SGKYFRMBEFXLTI-SECBINFHSA-N	-1	0	275.312	0.209	20	30		CCEDRM
C=CCCOCC(=O)N1CCO[C@@H](CC(=O)[O-])C1	ZINC000678983578	545400789	/nfs/dbraw/zinc/40/07/89/545400789.db2.gz	RRLXFTZRJQWBQF-JTQLQIEISA-N	-1	0	257.286	0.281	20	30		CCEDRM
C=CC[C@H](NS(=O)(=O)Cc1cc(C)no1)C(=O)[O-]	ZINC000681558678	545456128	/nfs/dbraw/zinc/45/61/28/545456128.db2.gz	VGKSCEQRSQGCMS-VIFPVBQESA-N	-1	0	274.298	0.432	20	30		CCEDRM
O=C([O-])[C@@H]1CC[C@H](C(=O)NCC#Cc2ccccc2)O1	ZINC000682521213	545481991	/nfs/dbraw/zinc/48/19/91/545481991.db2.gz	ALBSXNFHJDNBHC-OLZOCXBDSA-N	-1	0	273.288	0.787	20	30		CCEDRM
CO[C@H](C)C(=O)[N-]S(=O)(=O)CC1(C#N)CCCC1	ZINC000779313158	581180732	/nfs/dbraw/zinc/18/07/32/581180732.db2.gz	KPHGXWSCAUFCNN-SECBINFHSA-N	-1	0	274.342	0.551	20	30		CCEDRM
Cn1cccc(N=C([O-])[C@]2(O)CCSC2)c1=O	ZINC000328979400	581113106	/nfs/dbraw/zinc/11/31/06/581113106.db2.gz	QZUFBTFZFSVHEC-NSHDSACASA-N	-1	0	254.311	0.841	20	30		CCEDRM
N#CCN(CC(=O)[O-])C(=O)c1cccc(-n2cncn2)c1	ZINC000739087031	581175017	/nfs/dbraw/zinc/17/50/17/581175017.db2.gz	JYKSWSCRJULANT-UHFFFAOYSA-N	-1	0	285.263	0.318	20	30		CCEDRM
CC#CCS(=O)(=O)[N-]C(=O)c1ccc2nnn(C)c2c1	ZINC000791105309	581207763	/nfs/dbraw/zinc/20/77/63/581207763.db2.gz	CGEXMFKMOBOODE-UHFFFAOYSA-N	-1	0	292.320	0.051	20	30		CCEDRM
Cn1ccnc1C([O-])=C(C#N)C(=O)[C@@H]1[C@H]2CCCO[C@H]21	ZINC000780445770	581228481	/nfs/dbraw/zinc/22/84/81/581228481.db2.gz	QXYURYIDFGJWNZ-ORXSELOVSA-N	-1	0	273.292	0.737	20	30		CCEDRM
CC(C)(C)n1cc(C([O-])=C(C#N)C(=O)NC2CC2)nn1	ZINC000791772218	581233267	/nfs/dbraw/zinc/23/32/67/581233267.db2.gz	ZVKCLOYSOMWNBL-VIFPVBQESA-N	-1	0	275.312	0.634	20	30		CCEDRM
C=CCCO[C@@H](C)C(=O)[N-]S(=O)(=O)[C@H]1CCCOC1	ZINC000780624357	581237384	/nfs/dbraw/zinc/23/73/84/581237384.db2.gz	NIBOHNAMVNHNHB-QWRGUYRKSA-N	-1	0	291.369	0.593	20	30		CCEDRM
CC#CCS(=O)(=O)[N-]C(=O)c1ccnc(SC)c1	ZINC000791110301	581259575	/nfs/dbraw/zinc/25/95/75/581259575.db2.gz	BJFHMOJPHQESPZ-UHFFFAOYSA-N	-1	0	284.362	0.886	20	30		CCEDRM
Cc1cc([C@H](C#N)C(=O)[C@@H]2C[C@H]2C(=O)[O-])nc(C)n1	ZINC000738350814	581268038	/nfs/dbraw/zinc/26/80/38/581268038.db2.gz	BWXMDNKYFFJTQM-BBBLOLIVSA-N	-1	0	259.265	0.990	20	30		CCEDRM
CC[C@@H](NN=Cc1cn(Cc2cccnc2)nn1)C(=O)[O-]	ZINC000793056417	581282281	/nfs/dbraw/zinc/28/22/81/581282281.db2.gz	RXTJAXNLPURFEP-GFCCVEGCSA-N	-1	0	288.311	0.508	20	30		CCEDRM
Cn1ncc(C([O-])=C(C#N)C(=O)NC2CCCC2)n1	ZINC000793122172	581284449	/nfs/dbraw/zinc/28/44/49/581284449.db2.gz	QNNUSWONPFNZDL-VIFPVBQESA-N	-1	0	261.285	0.196	20	30		CCEDRM
CC[C@@H]1CC[C@H](C(=O)[N-]S(=O)(=O)CC2(C#N)CC2)O1	ZINC000793194427	581287816	/nfs/dbraw/zinc/28/78/16/581287816.db2.gz	KOEAIWYKBSBHEA-NXEZZACHSA-N	-1	0	286.353	0.694	20	30		CCEDRM
CS/C=C\C(=O)[N-]S(=O)(=O)CC1(C#N)CC1	ZINC000793194493	581287840	/nfs/dbraw/zinc/28/78/40/581287840.db2.gz	MUNABIJQDAIAOY-DJWKRKHSSA-N	-1	0	260.340	0.613	20	30		CCEDRM
Cc1nnc(NN=Cc2c(O)cc(O)c(C)c2O)[n-]c1=O	ZINC000782149715	581290363	/nfs/dbraw/zinc/29/03/63/581290363.db2.gz	GZQVKCRSCYYSRY-UHFFFAOYSA-N	-1	0	291.267	0.757	20	30		CCEDRM
N#C[C@@H](NC(=O)CN(C[C@@H]1CCCO1)C(=O)[O-])C1CC1	ZINC000740304065	581322642	/nfs/dbraw/zinc/32/26/42/581322642.db2.gz	PWSQIYUEKOTPMY-WDEREUQCSA-N	-1	0	281.312	0.564	20	30		CCEDRM
C#CCN(CC#CC)C(=O)CN(C[C@H]1CCCO1)C(=O)[O-]	ZINC000738457293	581331423	/nfs/dbraw/zinc/33/14/23/581331423.db2.gz	MOOXSKTXFYLVDJ-CYBMUJFWSA-N	-1	0	292.335	0.631	20	30		CCEDRM
C#CCN(CC#CC)C(=O)CN(C[C@@H]1CCCO1)C(=O)[O-]	ZINC000738457294	581331464	/nfs/dbraw/zinc/33/14/64/581331464.db2.gz	MOOXSKTXFYLVDJ-ZDUSSCGKSA-N	-1	0	292.335	0.631	20	30		CCEDRM
C#CCCN1CCN(C(=O)[C@@H]2CSCN2C(=O)[O-])CC1	ZINC000738457284	581331606	/nfs/dbraw/zinc/33/16/06/581331606.db2.gz	LRIDKFDQAJDREP-NSHDSACASA-N	-1	0	297.380	0.207	20	30		CCEDRM
C#CCN1CCN(C(=O)[C@@H](CCSC)NC(=O)[O-])CC1	ZINC000738460510	581333324	/nfs/dbraw/zinc/33/33/24/581333324.db2.gz	KOVRSNYHPIZKKD-LLVKDONJSA-N	-1	0	299.396	0.153	20	30		CCEDRM
CCS(=O)(=O)[N-]c1c(C#N)cnn1C1CCOCC1	ZINC000794051029	581335471	/nfs/dbraw/zinc/33/54/71/581335471.db2.gz	MGBUCPMMHNRFOF-UHFFFAOYSA-N	-1	0	284.341	0.868	20	30		CCEDRM
CCCOCC(=O)OCc1cc(=O)n2[n-]cc(C#N)c2n1	ZINC000783211821	581339968	/nfs/dbraw/zinc/33/99/68/581339968.db2.gz	RSJGZPGGJUPCNJ-UHFFFAOYSA-N	-1	0	290.279	0.776	20	30		CCEDRM
C=C(Br)CNC(=O)COCCNC(=O)[O-]	ZINC000738470047	581343753	/nfs/dbraw/zinc/34/37/53/581343753.db2.gz	HBTVVWCEFYSQGC-UHFFFAOYSA-N	-1	0	281.106	0.295	20	30		CCEDRM
C=CCOCC(=O)NC[C@H]1CCCN(C(=O)[O-])C1	ZINC000738490376	581360434	/nfs/dbraw/zinc/36/04/34/581360434.db2.gz	ABJPMBZDTSWQIR-SNVBAGLBSA-N	-1	0	256.302	0.695	20	30		CCEDRM
C=CCNC(=O)[C@H](C#N)C(=O)CCC(C)(C)NC(=O)[O-]	ZINC000738491552	581360985	/nfs/dbraw/zinc/36/09/85/581360985.db2.gz	KGESEARBNPAVPX-SECBINFHSA-N	-1	0	281.312	0.824	20	30		CCEDRM
C[C@H]1COC(=O)C1=NN=c1ccc([N+](=O)[O-])c[n-]1	ZINC000794894059	581390429	/nfs/dbraw/zinc/39/04/29/581390429.db2.gz	CCCUZOOVLKOXCZ-LURJTMIESA-N	-1	0	250.214	0.951	20	30		CCEDRM
CO[C@H](C(=O)[N-]S(=O)(=O)c1ccc(C#N)cc1)C1CC1	ZINC000796613281	581446111	/nfs/dbraw/zinc/44/61/11/581446111.db2.gz	LLJREJPFXMXKPL-LBPRGKRZSA-N	-1	0	294.332	0.788	20	30		CCEDRM
COC(=O)c1ccc(C([O-])=C(C#N)C(=O)NC(C)C)[nH]1	ZINC000796747712	581449747	/nfs/dbraw/zinc/44/97/47/581449747.db2.gz	QKAMJXUGGAUXFD-QMMMGPOBSA-N	-1	0	277.280	0.648	20	30		CCEDRM
C=CCCS(=O)(=O)N(CC(=O)[O-])Cc1ccncc1	ZINC000787933997	581482095	/nfs/dbraw/zinc/48/20/95/581482095.db2.gz	KODUMZKNXGITQJ-UHFFFAOYSA-N	-1	0	284.337	0.874	20	30		CCEDRM
COCCCNC(=O)C(C#N)=C([O-])c1ccn(C(C)C)n1	ZINC000733678301	581518091	/nfs/dbraw/zinc/51/80/91/581518091.db2.gz	XBNNQIZJFGKZDA-LLVKDONJSA-N	-1	0	292.339	0.939	20	30		CCEDRM
C=CCCO[C@H](C)C(=O)[N-]S(=O)(=O)[C@@H]1CCOC1	ZINC000733724657	581522136	/nfs/dbraw/zinc/52/21/36/581522136.db2.gz	WKVWLTPHFORQLW-NXEZZACHSA-N	-1	0	277.342	0.203	20	30		CCEDRM
C#CCOCCNC(=O)c1cccc([N+](=O)[O-])c1[O-]	ZINC000753233370	581532825	/nfs/dbraw/zinc/53/28/25/581532825.db2.gz	XNABUMAWCUISCD-UHFFFAOYSA-N	-1	0	264.237	0.680	20	30		CCEDRM
CC(=NNc1[n-]cnc2ncnc1-2)c1ccnn1C	ZINC000766010856	581546855	/nfs/dbraw/zinc/54/68/55/581546855.db2.gz	CKIYMNGHOAWQEE-UHFFFAOYSA-N	-1	0	256.273	0.923	20	30		CCEDRM
CCN(C[C@@H](C)C#N)C(=O)COC(=O)CN(C)C(=O)[O-]	ZINC000739402951	581547830	/nfs/dbraw/zinc/54/78/30/581547830.db2.gz	IVCWEGOEHPVMRO-VIFPVBQESA-N	-1	0	285.300	0.148	20	30		CCEDRM
CNC(=O)C(C#N)=C([O-])c1ccc2c(c1)nnn2C	ZINC000729186762	581557297	/nfs/dbraw/zinc/55/72/97/581557297.db2.gz	OPLIZHWGGWKWTI-MRVPVSSYSA-N	-1	0	257.253	0.037	20	30		CCEDRM
CCCn1cc(C([O-])=C(C#N)C(=O)c2nccn2C)nn1	ZINC000766660496	581574899	/nfs/dbraw/zinc/57/48/99/581574899.db2.gz	GEOZSUGEQFJRHF-SECBINFHSA-N	-1	0	286.295	0.627	20	30		CCEDRM
CN(CCC#N)C(=O)C(C)(C)N1CCN(C(=O)[O-])CC1	ZINC000739664872	581589266	/nfs/dbraw/zinc/58/92/66/581589266.db2.gz	VKXRKQURCZWMOO-UHFFFAOYSA-N	-1	0	282.344	0.433	20	30		CCEDRM
COCCCCS(=O)(=O)[N-]C(=O)c1ccc(C#N)nc1	ZINC000766971836	581591103	/nfs/dbraw/zinc/59/11/03/581591103.db2.gz	QDVUTTARXIDCNP-UHFFFAOYSA-N	-1	0	297.336	0.439	20	30		CCEDRM
CN(CCCNC(=O)[O-])S(=O)(=O)CCCCC#N	ZINC000739678957	581591900	/nfs/dbraw/zinc/59/19/00/581591900.db2.gz	MHYAYZRTZGFOED-UHFFFAOYSA-N	-1	0	277.346	0.600	20	30		CCEDRM
CS(=O)(=O)[N-]C(=O)c1cc2ccccc2n1CC#N	ZINC000729887589	581618107	/nfs/dbraw/zinc/61/81/07/581618107.db2.gz	VWNLSTZIUZESQX-UHFFFAOYSA-N	-1	0	277.305	0.854	20	30		CCEDRM
COCCCNC(=O)C(C#N)=C([O-])c1cocn1	ZINC000729890518	581619363	/nfs/dbraw/zinc/61/93/63/581619363.db2.gz	ZCZQQXLRTZXXSC-QMMMGPOBSA-N	-1	0	251.242	0.150	20	30		CCEDRM
C=C(C)C[C@H](C)C(=O)[N-]S(=O)(=O)N(C)CCOC	ZINC000767993904	581640036	/nfs/dbraw/zinc/64/00/36/581640036.db2.gz	NYTOWTWEYFSVIR-JTQLQIEISA-N	-1	0	278.374	0.528	20	30		CCEDRM
N#C[C@@H](C(=O)CSCC(=O)[O-])C(=O)Nc1ccccn1	ZINC000740302883	581661966	/nfs/dbraw/zinc/66/19/66/581661966.db2.gz	FFVLNFZPMUKTTN-QMMMGPOBSA-N	-1	0	293.304	0.547	20	30		CCEDRM
N#CCNC(=O)CN1CCCC[C@@H]1[C@@H]1CCCN1C(=O)[O-]	ZINC000740305327	581662182	/nfs/dbraw/zinc/66/21/82/581662182.db2.gz	LUSJVLZMTYFOBI-NEPJUHHUSA-N	-1	0	294.355	0.623	20	30		CCEDRM
N#CCCCCNC(=O)[C@H]1CSCN1C(=O)[O-]	ZINC000740306890	581663559	/nfs/dbraw/zinc/66/35/59/581663559.db2.gz	MCNSVQWPEZQZNN-MRVPVSSYSA-N	-1	0	257.315	0.849	20	30		CCEDRM
C#CCNC(=O)CN[C@@H](C(=O)[O-])c1ccc(OC)cc1	ZINC000736076378	581694634	/nfs/dbraw/zinc/69/46/34/581694634.db2.gz	NDRSVQMWOUWCOU-CYBMUJFWSA-N	-1	0	276.292	0.160	20	30		CCEDRM
C#CCNC(=O)c1ccccc1NC(=O)[C@H]1C[C@@H]1C(=O)[O-]	ZINC000736076906	581694667	/nfs/dbraw/zinc/69/46/67/581694667.db2.gz	WMYQIALGVVALJG-QWRGUYRKSA-N	-1	0	286.287	0.709	20	30		CCEDRM
C#CCCNC(=O)C(=O)Nc1ccc(OCC(=O)[O-])cc1	ZINC000736076641	581694674	/nfs/dbraw/zinc/69/46/74/581694674.db2.gz	JXJMNYOTOCWJPQ-UHFFFAOYSA-N	-1	0	290.275	0.228	20	30		CCEDRM
C=CCN(CC=C)C(=O)COC(=O)C(C)(C)NC(=O)[O-]	ZINC000736108482	581698499	/nfs/dbraw/zinc/69/84/99/581698499.db2.gz	VBJNFFQQHRQJGD-UHFFFAOYSA-N	-1	0	284.312	0.776	20	30		CCEDRM
C#Cc1ccc(C(=O)N(CCOC)CC(=O)[O-])cn1	ZINC000736092120	581701420	/nfs/dbraw/zinc/70/14/20/581701420.db2.gz	BYEWPHJMTWCUOZ-UHFFFAOYSA-N	-1	0	262.265	0.236	20	30		CCEDRM
C=CCOCC(=O)N(C)c1nc(CC(=O)[O-])cs1	ZINC000736109682	581702702	/nfs/dbraw/zinc/70/27/02/581702702.db2.gz	WSHSSXPJPYRKJF-UHFFFAOYSA-N	-1	0	270.310	0.936	20	30		CCEDRM
CC(=O)N(C)CC(=O)O[C@@H](C(=O)[O-])c1ccc(C#N)cc1	ZINC000736123698	581704767	/nfs/dbraw/zinc/70/47/67/581704767.db2.gz	MLFLXCMPVFEMEE-CYBMUJFWSA-N	-1	0	290.275	0.705	20	30		CCEDRM
C=CCN(CC=C)C(=O)Cn1[n-]cc2c(=O)ncnc1-2	ZINC000730514167	581715748	/nfs/dbraw/zinc/71/57/48/581715748.db2.gz	DPUWSBXMUHVLTP-UHFFFAOYSA-N	-1	0	273.296	0.272	20	30		CCEDRM
N#Cc1nc(NC(=O)CCCn2ccnc2)[n-]c1C#N	ZINC000741282360	581744151	/nfs/dbraw/zinc/74/41/51/581744151.db2.gz	NXIJVEGLILEPPX-UHFFFAOYSA-N	-1	0	269.268	0.768	20	30		CCEDRM
CCCN(C)S(=O)(=O)[N-]C(=O)Cc1ccc(C#N)cc1	ZINC000770613440	581755610	/nfs/dbraw/zinc/75/56/10/581755610.db2.gz	HWKOJHMJSMSTKB-UHFFFAOYSA-N	-1	0	295.364	0.804	20	30		CCEDRM
CC(=NNCC(N)=O)c1cc([N+](=O)[O-])ccc1[O-]	ZINC000758896553	581774697	/nfs/dbraw/zinc/77/46/97/581774697.db2.gz	LONPRCCUZFCQAR-UHFFFAOYSA-N	-1	0	252.230	0.099	20	30		CCEDRM
O=C([O-])Cn1cc(C=C2C(=O)c3ccccc3C2=O)nn1	ZINC000759070905	581781844	/nfs/dbraw/zinc/78/18/44/581781844.db2.gz	CUONOBYNZNVGIX-UHFFFAOYSA-N	-1	0	283.243	0.825	20	30		CCEDRM
O=C([O-])Cn1cc(/C=C\C(=O)c2cccnc2)nn1	ZINC000759074774	581781955	/nfs/dbraw/zinc/78/19/55/581781955.db2.gz	XWSDUYMUFOPUTL-ARJAWSKDSA-N	-1	0	258.237	0.654	20	30		CCEDRM
N#CC1(CS(=O)(=O)[N-]C(=O)c2cocn2)CCC1	ZINC000771082122	581790511	/nfs/dbraw/zinc/79/05/11/581790511.db2.gz	XGFQFSIHCCLRCZ-UHFFFAOYSA-N	-1	0	269.282	0.428	20	30		CCEDRM
C[C@H](CNC(=O)C(=O)Nc1ccc(C#N)cc1)C(=O)[O-]	ZINC000736587319	581799393	/nfs/dbraw/zinc/79/93/93/581799393.db2.gz	VPRSVXLXIXGBAB-MRVPVSSYSA-N	-1	0	275.264	0.334	20	30		CCEDRM
C[C@@H](CNC(=O)COc1cccc(C#N)c1)C(=O)[O-]	ZINC000736595997	581802155	/nfs/dbraw/zinc/80/21/55/581802155.db2.gz	PQIBBRUAYNJXQF-VIFPVBQESA-N	-1	0	262.265	0.774	20	30		CCEDRM
Cc1oc(-n2cccc2)c(C#N)c1C(=O)NCc1nnn[n-]1	ZINC000732158432	581807457	/nfs/dbraw/zinc/80/74/57/581807457.db2.gz	DTGCDWWVLBDUAD-UHFFFAOYSA-N	-1	0	297.278	0.694	20	30		CCEDRM
C=CCNC(=O)c1ccc(NC(=O)c2cc(=O)[nH][n-]2)cc1	ZINC000732273849	581813150	/nfs/dbraw/zinc/81/31/50/581813150.db2.gz	LCFAJZQCRRRYDA-UHFFFAOYSA-N	-1	0	286.291	0.417	20	30		CCEDRM
C[C@@](NS(=O)(=O)CCCCC#N)(C(=O)[O-])C1CC1	ZINC000736664684	581813461	/nfs/dbraw/zinc/81/34/61/581813461.db2.gz	QPSCLCWAOJAFCM-NSHDSACASA-N	-1	0	274.342	0.853	20	30		CCEDRM
C#CCCCC(=O)[N-]S(=O)(=O)c1cnn(CC2CC2)c1	ZINC000759675178	581815064	/nfs/dbraw/zinc/81/50/64/581815064.db2.gz	OUQZZQFUSPRKRK-UHFFFAOYSA-N	-1	0	295.364	0.902	20	30		CCEDRM
C[C@H](C#N)C(=O)N[C@H](c1nnn[n-]1)c1ccccc1	ZINC000736673557	581815240	/nfs/dbraw/zinc/81/52/40/581815240.db2.gz	QTONJNJZAHLPLS-SCZZXKLOSA-N	-1	0	256.269	0.565	20	30		CCEDRM
N#Cc1ccccc1N1CCN(C(=O)c2cc(=O)[nH][n-]2)CC1	ZINC000732283982	581816367	/nfs/dbraw/zinc/81/63/67/581816367.db2.gz	ZSQBEDDJXAUENR-UHFFFAOYSA-N	-1	0	297.318	0.083	20	30		CCEDRM
C[C@H](Oc1cccnc1)C(=O)N(CC#N)CC(=O)[O-]	ZINC000736709963	581822685	/nfs/dbraw/zinc/82/26/85/581822685.db2.gz	YHPLGSGEMQHTLC-VIFPVBQESA-N	-1	0	263.253	0.286	20	30		CCEDRM
CNC(=O)C(C#N)=C([O-])c1ccc(-c2n[nH]c(C)n2)cc1	ZINC000759832640	581825886	/nfs/dbraw/zinc/82/58/86/581825886.db2.gz	GWIPKEFIODUOQU-NSHDSACASA-N	-1	0	283.291	0.849	20	30		CCEDRM
CC(C)(CC(=O)Nc1cnn(CC#N)c1)NC(=O)[O-]	ZINC000738737946	581830217	/nfs/dbraw/zinc/83/02/17/581830217.db2.gz	GGQQBPZJNQMLEG-UHFFFAOYSA-N	-1	0	265.273	0.781	20	30		CCEDRM
C=CCS(=O)(=O)[N-]C(=O)[C@@H]1CCC[C@H](C(=O)OC)C1	ZINC000772711088	581842756	/nfs/dbraw/zinc/84/27/56/581842756.db2.gz	VKZYJTPNCZLDNC-ZJUUUORDSA-N	-1	0	289.353	0.598	20	30		CCEDRM
CNC(=O)C(C#N)=C([O-])c1cc(C(=O)OC)co1	ZINC000760184669	581848266	/nfs/dbraw/zinc/84/82/66/581848266.db2.gz	UYBRQCHLVATNOC-SSDOTTSWSA-N	-1	0	250.210	0.135	20	30		CCEDRM
COCCNC(=O)C(C#N)=C([O-])c1oc(C2CC2)nc1C	ZINC000760197374	581848667	/nfs/dbraw/zinc/84/86/67/581848667.db2.gz	JOMPVAPSVWZBMP-SNVBAGLBSA-N	-1	0	291.307	0.946	20	30		CCEDRM
CCC[C@@H](C)N1C[C@H](C(=O)N(CC#N)CC(=O)[O-])CC1=O	ZINC000736964749	581874108	/nfs/dbraw/zinc/87/41/08/581874108.db2.gz	IJRAWWCFQUKISD-GHMZBOCLSA-N	-1	0	295.339	0.460	20	30		CCEDRM
C=CCS(=O)(=O)[N-]C(=O)[C@H]1COc2ccccc2C1	ZINC000772710626	581884901	/nfs/dbraw/zinc/88/49/01/581884901.db2.gz	PTTSHKGPIUZUJE-LLVKDONJSA-N	-1	0	281.333	0.870	20	30		CCEDRM
C=CCS(=O)(=O)[N-]C(=O)c1ccc(NC)c([N+](=O)[O-])c1	ZINC000772712996	581885374	/nfs/dbraw/zinc/88/53/74/581885374.db2.gz	LKCBFJJCVXWUQV-UHFFFAOYSA-N	-1	0	299.308	0.882	20	30		CCEDRM
C=CCS(=O)(=O)[N-]C(=O)[C@H](C)OC[C@@H]1CCCO1	ZINC000772712946	581885379	/nfs/dbraw/zinc/88/53/79/581885379.db2.gz	GFBWQCYIPLCACR-UWVGGRQHSA-N	-1	0	277.342	0.203	20	30		CCEDRM
CCN(C)S(=O)(=O)[N-]C(=O)Cc1ccccc1CC#N	ZINC000761108717	581889018	/nfs/dbraw/zinc/88/90/18/581889018.db2.gz	JTCQENRQGPZTPJ-UHFFFAOYSA-N	-1	0	295.364	0.608	20	30		CCEDRM
CCN(C[C@H](C)C#N)C(=O)COC(=O)CCNC(=O)[O-]	ZINC000737079151	581897609	/nfs/dbraw/zinc/89/76/09/581897609.db2.gz	XFERGAHUXAAEGH-SECBINFHSA-N	-1	0	285.300	0.195	20	30		CCEDRM
CNC(=S)NN=Cc1cccc(O[C@H](C)C(=O)[O-])c1	ZINC000746677424	581922045	/nfs/dbraw/zinc/92/20/45/581922045.db2.gz	VZDVCHYKYSNKHA-MRVPVSSYSA-N	-1	0	281.337	0.966	20	30		CCEDRM
C[C@@H]1COCC[C@@H]1C(=O)[N-]S(=O)(=O)CCCC#N	ZINC000774175237	581923514	/nfs/dbraw/zinc/92/35/14/581923514.db2.gz	ZXMKGACXSYYGHV-ZJUUUORDSA-N	-1	0	274.342	0.409	20	30		CCEDRM
C#CCCCCC(=O)[N-]S(=O)(=O)c1cnccn1	ZINC000773801831	581942158	/nfs/dbraw/zinc/94/21/58/581942158.db2.gz	JJANRVFCPHUHMY-UHFFFAOYSA-N	-1	0	267.310	0.475	20	30		CCEDRM
CCc1noc(C)c1C(=O)N(CC#N)CC(=O)[O-]	ZINC000737292341	581942231	/nfs/dbraw/zinc/94/22/31/581942231.db2.gz	OZCDPBLPCVTZKD-UHFFFAOYSA-N	-1	0	251.242	0.596	20	30		CCEDRM
CCn1nccc1C(=O)[N-]S(=O)(=O)CC(C)(C)C#N	ZINC000774294373	581969587	/nfs/dbraw/zinc/96/95/87/581969587.db2.gz	VKUZQEPMLFZOCB-UHFFFAOYSA-N	-1	0	284.341	0.512	20	30		CCEDRM
COc1nccnc1N=NCc1ccc(C(=O)[O-])[nH]1	ZINC000763408775	581998311	/nfs/dbraw/zinc/99/83/11/581998311.db2.gz	RNBQANWNZPEHLZ-UHFFFAOYSA-N	-1	0	261.241	0.958	20	30		CCEDRM
C=CCNC(=O)C(C#N)=C([O-])c1nccn2cc(C)nc12	ZINC000763933865	582021936	/nfs/dbraw/zinc/02/19/36/582021936.db2.gz	WMJYDCPMFZEKFP-SNVBAGLBSA-N	-1	0	283.291	0.662	20	30		CCEDRM
N#CCCCS(=O)(=O)[N-]C(=O)[C@@H]1CCc2n[nH]cc2C1	ZINC000764056608	582029484	/nfs/dbraw/zinc/02/94/84/582029484.db2.gz	YIWIZDWCFVWDNZ-SECBINFHSA-N	-1	0	296.352	0.264	20	30		CCEDRM
C=CCCOCC(=O)[N-]S(=O)(=O)C[C@H](C)OC	ZINC000764206857	582036497	/nfs/dbraw/zinc/03/64/97/582036497.db2.gz	HZJIDJLCNFPVEC-VIFPVBQESA-N	-1	0	265.331	0.060	20	30		CCEDRM
N#C[C@H](NC(=O)[C@H]1CCCN(C(=O)[O-])C1)C1CC1	ZINC000738421432	582047631	/nfs/dbraw/zinc/04/76/31/582047631.db2.gz	DFVWGBABIRUPJS-UWVGGRQHSA-N	-1	0	251.286	0.795	20	30		CCEDRM
Cc1cc(NC(=O)CCNC(=O)[O-])n(CCC#N)n1	ZINC000738420604	582047781	/nfs/dbraw/zinc/04/77/81/582047781.db2.gz	CFWRHKUEHDULJC-UHFFFAOYSA-N	-1	0	265.273	0.701	20	30		CCEDRM
N#CC1(C(=O)N2CCCN(C(=O)[O-])CC2)CCC1	ZINC000738424161	582047875	/nfs/dbraw/zinc/04/78/75/582047875.db2.gz	ZHADSCNGFHJDPQ-UHFFFAOYSA-N	-1	0	251.286	0.893	20	30		CCEDRM
N#CCCCCS(=O)(=O)N1CCC[C@H](NC(=O)[O-])C1	ZINC000738428088	582048274	/nfs/dbraw/zinc/04/82/74/582048274.db2.gz	JKDRMLOXAILANU-JTQLQIEISA-N	-1	0	289.357	0.742	20	30		CCEDRM
N#CCNC(=O)COC(=O)c1ccc(NC(=O)[O-])cc1	ZINC000738426448	582048545	/nfs/dbraw/zinc/04/85/45/582048545.db2.gz	PFYDDCADWIGIAY-UHFFFAOYSA-N	-1	0	277.236	0.573	20	30		CCEDRM
C#CCN1CCN(C(=O)CCC(C)(C)NC(=O)[O-])CC1	ZINC000738462395	582051561	/nfs/dbraw/zinc/05/15/61/582051561.db2.gz	ZYESITGPBNQKOM-UHFFFAOYSA-N	-1	0	281.356	0.590	20	30		CCEDRM
CCc1ncncc1C(=O)[N-]S(=O)(=O)CCCC#N	ZINC000776115417	582051922	/nfs/dbraw/zinc/05/19/22/582051922.db2.gz	MXNHNSPDSWIYSP-UHFFFAOYSA-N	-1	0	282.325	0.402	20	30		CCEDRM
N#CCCCS(=O)(=O)[N-]C(=O)c1ccc2nncn2c1	ZINC000776119548	582052381	/nfs/dbraw/zinc/05/23/81/582052381.db2.gz	SYLMBTDCXWSLAO-UHFFFAOYSA-N	-1	0	293.308	0.093	20	30		CCEDRM
N#CCCCS(=O)(=O)[N-]C(=O)CCCn1cccn1	ZINC000776120964	582052664	/nfs/dbraw/zinc/05/26/64/582052664.db2.gz	BWRYKWSNCRPOLS-UHFFFAOYSA-N	-1	0	284.341	0.413	20	30		CCEDRM
C#CCNC(=O)c1ccc(N2CC[C@@H](NC(=O)[O-])C2)nc1	ZINC000738462860	582053961	/nfs/dbraw/zinc/05/39/61/582053961.db2.gz	CSDOXRBEIWQGOT-LLVKDONJSA-N	-1	0	288.307	0.291	20	30		CCEDRM
Cc1cccnc1C(=O)[N-]S(=O)(=O)CC(C)(C)C#N	ZINC000776143137	582054016	/nfs/dbraw/zinc/05/40/16/582054016.db2.gz	TYHPEZOXENCDRJ-UHFFFAOYSA-N	-1	0	281.337	0.999	20	30		CCEDRM
C#Cc1ccc(C(=O)N[C@@H]2CCN(C(=O)[O-])C2)cn1	ZINC000738467663	582054386	/nfs/dbraw/zinc/05/43/86/582054386.db2.gz	OZCDYPDTIBTMPG-LLVKDONJSA-N	-1	0	259.265	0.545	20	30		CCEDRM
C=CCNC(=O)C[C@]1(C(=O)NCC=C)CCN(C(=O)[O-])C1	ZINC000738495211	582056089	/nfs/dbraw/zinc/05/60/89/582056089.db2.gz	JTMAAKMOAXVEKE-CQSZACIVSA-N	-1	0	295.339	0.351	20	30		CCEDRM
C=CCOCC(=O)NC[C@H]1CCCCN1C(=O)[O-]	ZINC000738491222	582056199	/nfs/dbraw/zinc/05/61/99/582056199.db2.gz	JENAKXQIFUVEJC-SNVBAGLBSA-N	-1	0	256.302	0.838	20	30		CCEDRM
C[C@@H](C#N)C(=O)N1CCC[C@@H](CN(C)C(=O)[O-])C1	ZINC000738596001	582064470	/nfs/dbraw/zinc/06/44/70/582064470.db2.gz	DNOAGOZNZJQAMB-UWVGGRQHSA-N	-1	0	253.302	0.994	20	30		CCEDRM
C[C@H](C#N)CNC(=O)[C@H]1[C@H](C)OC(C)(C)N1C(=O)[O-]	ZINC000738597928	582064829	/nfs/dbraw/zinc/06/48/29/582064829.db2.gz	WEBAHPINPFTONK-HRDYMLBCSA-N	-1	0	269.301	0.766	20	30		CCEDRM
Cc1nc(C)c(C(=O)N(CC#N)CC(=O)[O-])s1	ZINC000738844426	582082211	/nfs/dbraw/zinc/08/22/11/582082211.db2.gz	LYKISNNGBMRLAA-UHFFFAOYSA-N	-1	0	253.283	0.810	20	30		CCEDRM
C[C@@H](CC#N)NC(=O)c1csc(CNC(=O)[O-])n1	ZINC000738895589	582086712	/nfs/dbraw/zinc/08/67/12/582086712.db2.gz	WWWWIJQEHWJBSK-LURJTMIESA-N	-1	0	268.298	0.943	20	30		CCEDRM
C[C@@H](CCNS(=O)(=O)CCCC#N)NC(=O)[O-]	ZINC000738906252	582086773	/nfs/dbraw/zinc/08/67/73/582086773.db2.gz	OWVDKUSAAFKNCG-QMMMGPOBSA-N	-1	0	263.319	0.256	20	30		CCEDRM
N#CCN(CC(=O)NCCC(=O)[O-])C1CCCC1	ZINC000739076086	582101113	/nfs/dbraw/zinc/10/11/13/582101113.db2.gz	RMZPGKANXGQNON-UHFFFAOYSA-N	-1	0	253.302	0.345	20	30		CCEDRM
N#CCN1CCC(NC(=O)NCCCCC(=O)[O-])CC1	ZINC000739085872	582101818	/nfs/dbraw/zinc/10/18/18/582101818.db2.gz	LDQHRYMFCYQUNS-UHFFFAOYSA-N	-1	0	282.344	0.528	20	30		CCEDRM
N#CCSCC(=O)N(CCC(=O)[O-])C[C@H]1CCCO1	ZINC000739090937	582102124	/nfs/dbraw/zinc/10/21/24/582102124.db2.gz	ATLWFKUEKAEWIU-SNVBAGLBSA-N	-1	0	286.353	0.725	20	30		CCEDRM
C[C@@H]1CCC[C@](C#N)(NC(=O)COCCNC(=O)[O-])C1	ZINC000739091567	582102157	/nfs/dbraw/zinc/10/21/57/582102157.db2.gz	LFXRJHZTFZMKKQ-MFKMUULPSA-N	-1	0	283.328	0.859	20	30		CCEDRM
O=C([O-])Cn1cc(C=NNc2ccc(Cl)nc2)nn1	ZINC000768484224	582107121	/nfs/dbraw/zinc/10/71/21/582107121.db2.gz	FIAYAZBYYGCFLF-UHFFFAOYSA-N	-1	0	280.675	0.857	20	30		CCEDRM
C=CCNC(=O)c1ccc(N2CC[C@H](C(=O)[O-])C2)nc1	ZINC000262065234	596901448	/nfs/dbraw/zinc/90/14/48/596901448.db2.gz	AVHMKIRMAROJFD-NSHDSACASA-N	-1	0	275.308	0.908	20	30		CCEDRM
CS(=O)(=O)NN=Cc1cc([N+](=O)[O-])ccc1[O-]	ZINC000254657258	649906192	/nfs/dbraw/zinc/90/61/92/649906192.db2.gz	KDFMFDBYNUGOSC-UHFFFAOYSA-N	-1	0	259.243	0.184	20	30		CCEDRM
N#CCOc1cc(F)ccc1NC(=O)NCC(=O)[O-]	ZINC000819091082	597122642	/nfs/dbraw/zinc/12/26/42/597122642.db2.gz	OXOUNJGFOKDWKT-UHFFFAOYSA-N	-1	0	267.216	0.934	20	30		CCEDRM
C[C@H](C(=O)[O-])N(C)CC(=O)N[C@](C)(C#N)C1CC1	ZINC000817772225	597472583	/nfs/dbraw/zinc/47/25/83/597472583.db2.gz	MOVMAKQYDJDCQX-PRHODGIISA-N	-1	0	253.302	0.200	20	30		CCEDRM
C[C@@](C#N)(CC(=O)[O-])C(=O)OCC(=O)NCC(F)(F)F	ZINC000819865158	597612624	/nfs/dbraw/zinc/61/26/24/597612624.db2.gz	IEFLMHNQRVUKOG-VIFPVBQESA-N	-1	0	296.201	0.213	20	30		CCEDRM
Cc1csc(=O)n1CCOC(=O)[C@@](C)(C#N)CC(=O)[O-]	ZINC000821147127	597617776	/nfs/dbraw/zinc/61/77/76/597617776.db2.gz	XFYHAVLHRNTWIN-GFCCVEGCSA-N	-1	0	298.320	0.766	20	30		CCEDRM
C[C@](C#N)(CC(=O)[O-])C(=O)N1CCC2(CC1)OCCO2	ZINC000819810694	597631591	/nfs/dbraw/zinc/63/15/91/597631591.db2.gz	FHXMXHSILCETJE-GFCCVEGCSA-N	-1	0	282.296	0.356	20	30		CCEDRM
C[C@@](C#N)(CC(=O)[O-])C(=O)NC[C@H](CO)Cc1ccco1	ZINC000819832472	597632930	/nfs/dbraw/zinc/63/29/30/597632930.db2.gz	BJFUVNJNTZHDGN-YGRLFVJLSA-N	-1	0	294.307	0.551	20	30		CCEDRM
C[C@](C#N)(CC(=O)[O-])C(=O)N1CCC(OCCCO)CC1	ZINC000819811684	597654533	/nfs/dbraw/zinc/65/45/33/597654533.db2.gz	UKJKEMXZFQDVLS-CQSZACIVSA-N	-1	0	298.339	0.381	20	30		CCEDRM
C[C@](C#N)(CC(=O)[O-])C(=O)N[C@H]1CCCC[C@@H]1O	ZINC000819822503	597656596	/nfs/dbraw/zinc/65/65/96/597656596.db2.gz	OEYANBNLSGWDES-HOTUBEGUSA-N	-1	0	254.286	0.411	20	30		CCEDRM
N#Cc1cc(NCC(=O)NCC(=O)[O-])ccc1F	ZINC000821329741	597746938	/nfs/dbraw/zinc/74/69/38/597746938.db2.gz	IQAICQDEDLGIGX-UHFFFAOYSA-N	-1	0	251.217	0.310	20	30		CCEDRM
N#C[C@H]1CN(C(=O)NCc2cccc(C(=O)[O-])c2)CCO1	ZINC000093937436	598191422	/nfs/dbraw/zinc/19/14/22/598191422.db2.gz	JLANRWNAEGQYDR-LBPRGKRZSA-N	-1	0	289.291	0.819	20	30		CCEDRM
C[C@@](C#N)(CC(=O)[O-])C(=O)NCCc1ccccn1	ZINC000819842145	598223113	/nfs/dbraw/zinc/22/31/13/598223113.db2.gz	KDTHTOPPQGMYQW-ZDUSSCGKSA-N	-1	0	261.281	0.745	20	30		CCEDRM
Cc1noc(CCNC(=O)[C@](C)(C#N)CC(=O)[O-])n1	ZINC000821235683	598226018	/nfs/dbraw/zinc/22/60/18/598226018.db2.gz	KHJHEFYNXZDNLE-NSHDSACASA-N	-1	0	266.257	0.041	20	30		CCEDRM
Cc1nc2n(n1)CCC[C@H]2NC(=O)[C@](C)(C#N)CC(=O)[O-]	ZINC000821181675	598229914	/nfs/dbraw/zinc/22/99/14/598229914.db2.gz	IFGKYZHYKVLJKW-RNCFNFMXSA-N	-1	0	291.311	0.542	20	30		CCEDRM
C[C@H](CO[C@H]1CCOC1)NC(=O)[C@](C)(C#N)CC(=O)[O-]	ZINC000820101724	598229997	/nfs/dbraw/zinc/22/99/97/598229997.db2.gz	CANJUFQWKRSSKL-NRUUGDAUSA-N	-1	0	284.312	0.301	20	30		CCEDRM
C[C@](C#N)(CC(=O)[O-])C(=O)NC[C@@]1(C)CCCO1	ZINC000820214689	598230147	/nfs/dbraw/zinc/23/01/47/598230147.db2.gz	CWRSVYGUPSSDCP-VXGBXAGGSA-N	-1	0	254.286	0.676	20	30		CCEDRM
C[C@](C#N)(CC(=O)[O-])C(=O)Nc1ccc2n[nH]nc2c1	ZINC000819856660	598230197	/nfs/dbraw/zinc/23/01/97/598230197.db2.gz	LOTQFGPQOVREAY-GFCCVEGCSA-N	-1	0	273.252	0.901	20	30		CCEDRM
C[C@@H](NC(=O)[C@@](C)(C#N)CC(=O)[O-])C1CCOCC1	ZINC000820113735	598230511	/nfs/dbraw/zinc/23/05/11/598230511.db2.gz	FURHYHRRZHUSBR-NOZJJQNGSA-N	-1	0	268.313	0.922	20	30		CCEDRM
C#CCO[N-]C(=O)[C@@H](C)Sc1nnnn1C1CC1	ZINC000855603345	612992270	/nfs/dbraw/zinc/99/22/70/612992270.db2.gz	MPARRKFGUSBUOS-SSDOTTSWSA-N	-1	0	267.314	0.170	20	30		CCEDRM
COc1cc(C)cc(C(=O)N[C@H]2CCN(O)C2=O)c1O	ZINC000816693501	617175106	/nfs/dbraw/zinc/17/51/06/617175106.db2.gz	MEJVBDSDVSCARS-VIFPVBQESA-N	-1	0	280.280	0.429	20	30		CCEDRM
N#Cc1c(-c2nnn[n-]2)nc(N)n1CC1CCCC1	ZINC000822814492	607377999	/nfs/dbraw/zinc/37/79/99/607377999.db2.gz	FZNOXVSLXNKHMZ-UHFFFAOYSA-N	-1	0	258.289	0.707	20	30		CCEDRM
C[C@H](CC#N)N(C)S(=O)(=O)c1ccc(C(=O)[O-])o1	ZINC000063087672	599778539	/nfs/dbraw/zinc/77/85/39/599778539.db2.gz	ILVKSVITUCKKLH-SSDOTTSWSA-N	-1	0	272.282	0.900	20	30		CCEDRM
N#Cc1ccc(F)c(CN2CCO[C@H](C(=O)[O-])C2)c1	ZINC000043704495	599971069	/nfs/dbraw/zinc/97/10/69/599971069.db2.gz	IMLZUQLAKONLCA-LBPRGKRZSA-N	-1	0	264.256	0.983	20	30		CCEDRM
N#Cc1ccccc1CN1CCNC(=O)[C@@H]1CC(=O)[O-]	ZINC000071246475	599982715	/nfs/dbraw/zinc/98/27/15/599982715.db2.gz	NGSOZVIAXFXWRH-LBPRGKRZSA-N	-1	0	273.292	0.333	20	30		CCEDRM
N#CCCCCS(=O)(=O)N1CCC[C@@H]1C(=O)[O-]	ZINC000261771880	600081162	/nfs/dbraw/zinc/08/11/62/600081162.db2.gz	ZFLFIISLMJFPHB-SECBINFHSA-N	-1	0	260.315	0.559	20	30		CCEDRM
N#CCN(CC(=O)[O-])C(=O)Cc1cccc(F)c1	ZINC000739079204	600405883	/nfs/dbraw/zinc/40/58/83/600405883.db2.gz	UUFJUQZETOWXPO-UHFFFAOYSA-N	-1	0	250.229	0.805	20	30		CCEDRM
N#CCCNC(=O)COc1ccc([N+](=O)[O-])c(C(=O)[O-])c1	ZINC000236460257	600444582	/nfs/dbraw/zinc/44/45/82/600444582.db2.gz	LPUSNMADLDCHIN-UHFFFAOYSA-N	-1	0	293.235	0.702	20	30		CCEDRM
N#Cc1ccc(Cn2nc(C(=O)[O-])ccc2=O)cc1	ZINC000229614241	600517794	/nfs/dbraw/zinc/51/77/94/600517794.db2.gz	BWNNFRCGWCQDBR-UHFFFAOYSA-N	-1	0	255.233	0.861	20	30		CCEDRM
C#CCN(CC#CC)C(=O)NCCCCC(=O)[O-]	ZINC000688090693	600743870	/nfs/dbraw/zinc/74/38/70/600743870.db2.gz	ISTJUJOORZEZPR-UHFFFAOYSA-N	-1	0	250.298	0.909	20	30		CCEDRM
C=CCOCCCC(=O)Nc1n[nH]c(CC(=O)[O-])n1	ZINC000825698874	600887525	/nfs/dbraw/zinc/88/75/25/600887525.db2.gz	OKGAVOQOZSEUPE-UHFFFAOYSA-N	-1	0	268.273	0.353	20	30		CCEDRM
N#CCN(CC(=O)[O-])C(=O)c1ccc(NC=O)cc1	ZINC000833066463	600963811	/nfs/dbraw/zinc/96/38/11/600963811.db2.gz	ZOVKVRJKIYNFOU-UHFFFAOYSA-N	-1	0	261.237	0.305	20	30		CCEDRM
CCN(CCC#N)CC(=O)N1CCC(C(=O)[O-])CC1	ZINC000054262882	601010529	/nfs/dbraw/zinc/01/05/29/601010529.db2.gz	SAACOXLNXCMMJG-UHFFFAOYSA-N	-1	0	267.329	0.545	20	30		CCEDRM
N#Cc1ccc([C@@H](C(=O)[O-])N2CCN(C3CC3)C(=O)C2)cc1	ZINC000833072308	601181445	/nfs/dbraw/zinc/18/14/45/601181445.db2.gz	RKPVOKPZADLHOG-HNNXBMFYSA-N	-1	0	299.330	0.991	20	30		CCEDRM
N#C[C@@H]1COCCN1C(=O)[C@@H]1CCC[C@@H](C(=O)[O-])C1	ZINC000833062821	601211712	/nfs/dbraw/zinc/21/17/12/601211712.db2.gz	QITGVRSKCNYGOO-GMTAPVOTSA-N	-1	0	266.297	0.628	20	30		CCEDRM
N#CCN(CC[S@](=O)c1ccccc1)CC(=O)[O-]	ZINC000833067261	601226386	/nfs/dbraw/zinc/22/63/86/601226386.db2.gz	SVYRIEMWEVEIHF-SFHVURJKSA-N	-1	0	266.322	0.704	20	30		CCEDRM
N#CCN(CC(=O)[O-])C[C@H](O)c1ccc(F)cc1F	ZINC000833067224	601226873	/nfs/dbraw/zinc/22/68/73/601226873.db2.gz	RHTSAWWHJNBGHR-NSHDSACASA-N	-1	0	270.235	0.908	20	30		CCEDRM
C[C@H]1CCCC[C@H]1N(C)C(=O)CN(CC#N)CC(=O)[O-]	ZINC000828246060	601227353	/nfs/dbraw/zinc/22/73/53/601227353.db2.gz	QSFWZSNFEATHTJ-NWDGAFQWSA-N	-1	0	281.356	0.934	20	30		CCEDRM
O=C([O-])[C@H]1CN(C(=O)C#Cc2ccccc2)CCO1	ZINC000043700645	601281298	/nfs/dbraw/zinc/28/12/98/601281298.db2.gz	HEHOVIAYUIRFNS-GFCCVEGCSA-N	-1	0	259.261	0.350	20	30		CCEDRM
N#CCNC(=O)CN1C[C@@H](C2CCCCC2)C[C@@H]1C(=O)[O-]	ZINC000833066613	601434246	/nfs/dbraw/zinc/43/42/46/601434246.db2.gz	CUILAGVRNSHIBH-QWHCGFSZSA-N	-1	0	293.367	0.982	20	30		CCEDRM
C[C@@H](CC#N)NS(=O)(=O)CC1(CC(=O)[O-])CC1	ZINC000827219468	601511358	/nfs/dbraw/zinc/51/13/58/601511358.db2.gz	ZOPYOIGUULEWQA-QMMMGPOBSA-N	-1	0	260.315	0.463	20	30		CCEDRM
N#Cc1ccc([C@@H](C(=O)[O-])N2C[C@H](O)C[C@H](O)C2)cc1	ZINC000833072123	601557603	/nfs/dbraw/zinc/55/76/03/601557603.db2.gz	OQWPBIIJPJJNOK-XQQFMLRXSA-N	-1	0	276.292	0.111	20	30		CCEDRM
N#CCOc1ccc(CN2CCOC[C@@H]2C(=O)[O-])cc1	ZINC000833067385	601558557	/nfs/dbraw/zinc/55/85/57/601558557.db2.gz	DGCCFYXBWHUNEI-CYBMUJFWSA-N	-1	0	276.292	0.874	20	30		CCEDRM
N#CCOc1ccccc1C(=O)N1CCOC[C@@H]1C(=O)[O-]	ZINC000833068374	601606895	/nfs/dbraw/zinc/60/68/95/601606895.db2.gz	XBEQKAKGLNUROH-LLVKDONJSA-N	-1	0	290.275	0.515	20	30		CCEDRM
C[C@H]1CN(C(=O)c2cc(C#N)cn2C)C[C@@H]1C(=O)[O-]	ZINC000828386838	601694268	/nfs/dbraw/zinc/69/42/68/601694268.db2.gz	OSSPGPONAHVNDG-WPRPVWTQSA-N	-1	0	261.281	0.689	20	30		CCEDRM
C[C@@H]1CN(C(=O)Nc2nn(C)cc2C#N)C[C@@H]1C(=O)[O-]	ZINC000828384799	601797252	/nfs/dbraw/zinc/79/72/52/601797252.db2.gz	CGOVVBWBHQUYGF-APPZFPTMSA-N	-1	0	277.284	0.476	20	30		CCEDRM
C#CCSCCNC(=O)N1CCC[C@@H]1CNC(=O)[O-]	ZINC000823467297	613016087	/nfs/dbraw/zinc/01/60/87/613016087.db2.gz	UDUYQRUJMYRJTP-SNVBAGLBSA-N	-1	0	285.369	0.794	20	30		CCEDRM
Cn1cc(C#N)cc1C(=O)N1CC[C@](C)(C(=O)[O-])C1	ZINC000833040371	602004251	/nfs/dbraw/zinc/00/42/51/602004251.db2.gz	CSIQPQGUPWVZLW-ZDUSSCGKSA-N	-1	0	261.281	0.834	20	30		CCEDRM
C[C@@H](OC(=O)C#Cc1ccc2c(c1)OCO2)C(=O)[O-]	ZINC000820161768	602262207	/nfs/dbraw/zinc/26/22/07/602262207.db2.gz	SBOXZMSSHWZNHX-MRVPVSSYSA-N	-1	0	262.217	0.783	20	30		CCEDRM
CN(CCNC(=O)Cc1ccc(C#N)cc1)C(=O)[O-]	ZINC000739693554	602296111	/nfs/dbraw/zinc/29/61/11/602296111.db2.gz	ZRHIHGNXSXBNLQ-UHFFFAOYSA-N	-1	0	261.281	0.827	20	30		CCEDRM
O=C([O-])[C@@H]1CCCN1C(=O)C#Cc1ccc2c(c1)OCO2	ZINC000819225059	602314453	/nfs/dbraw/zinc/31/44/53/602314453.db2.gz	DVRBHWQURANDED-NSHDSACASA-N	-1	0	287.271	0.842	20	30		CCEDRM
COc1cc(C=NNCCO)ccc1OCCC(=O)[O-]	ZINC000814942232	617179167	/nfs/dbraw/zinc/17/91/67/617179167.db2.gz	OXLSHOSUFYTUJH-UHFFFAOYSA-N	-1	0	282.296	0.465	20	30		CCEDRM
COc1cc(C=NNCCC(=O)[O-])cc(O)c1O	ZINC000820764061	617179201	/nfs/dbraw/zinc/17/92/01/617179201.db2.gz	WKMHWLMQRHYVRC-UHFFFAOYSA-N	-1	0	254.242	0.505	20	30		CCEDRM
COc1cc(C=NNCC(=O)[O-])ccc1[N+](=O)[O-]	ZINC000814958792	617179234	/nfs/dbraw/zinc/17/92/34/617179234.db2.gz	RTXHSONYNIECAV-UHFFFAOYSA-N	-1	0	253.214	0.612	20	30		CCEDRM
C#CCNC(=O)[C@H](C)OC(=O)C(C)(C)C(C)(C)NC(=O)[O-]	ZINC000823457453	612950472	/nfs/dbraw/zinc/95/04/72/612950472.db2.gz	ZUUAFVLSFQYDSZ-VIFPVBQESA-N	-1	0	298.339	0.740	20	30		CCEDRM
N#Cc1ccc(F)c(CNC(=O)CCNC(=O)[O-])c1	ZINC000831132444	603021134	/nfs/dbraw/zinc/02/11/34/603021134.db2.gz	XCMJANYZDBYARB-UHFFFAOYSA-N	-1	0	265.244	0.971	20	30		CCEDRM
C#CCNC(=O)[C@H](C)OC(=O)[C@@H](CC(C)C)NC(=O)[O-]	ZINC000825618439	612950775	/nfs/dbraw/zinc/95/07/75/612950775.db2.gz	BRUFEGJAEBUDEN-VHSXEESVSA-N	-1	0	284.312	0.350	20	30		CCEDRM
CS(=O)(=O)CCNN=Cc1ccc(NC(=O)[O-])nc1	ZINC000829675543	603486798	/nfs/dbraw/zinc/48/67/98/603486798.db2.gz	XYAPJUBJKLYZJN-UHFFFAOYSA-N	-1	0	286.313	0.140	20	30		CCEDRM
C[C@H](CNC(=O)[O-])N(C)C(=O)c1cc(C#N)cn1C	ZINC000824966886	603515222	/nfs/dbraw/zinc/51/52/22/603515222.db2.gz	KWCMZEGBWAGNBX-MRVPVSSYSA-N	-1	0	264.285	0.625	20	30		CCEDRM
N#Cc1cccc(CNC(=O)[C@@H]2C[C@@H](O)CN2C(=O)[O-])c1	ZINC000831146433	603575980	/nfs/dbraw/zinc/57/59/80/603575980.db2.gz	PBUBYMCZRFYAKY-NEPJUHHUSA-N	-1	0	289.291	0.288	20	30		CCEDRM
N#C[C@H]1CN(C(=O)[O-])CCN1C(=O)c1cccc2cn[nH]c21	ZINC000831091338	603599220	/nfs/dbraw/zinc/59/92/20/603599220.db2.gz	BRMSSHSRILUUSF-JTQLQIEISA-N	-1	0	299.290	0.891	20	30		CCEDRM
N#C[C@@H]1CN(C(=O)[O-])CCN1C(=O)c1cccnc1	ZINC000831091823	603600941	/nfs/dbraw/zinc/60/09/41/603600941.db2.gz	LPXPTYUUAOJSBI-SNVBAGLBSA-N	-1	0	260.253	0.410	20	30		CCEDRM
Cn1cc(C#N)c(NC(=O)N2CCN(C(=O)[O-])CC2)n1	ZINC000830984522	603604200	/nfs/dbraw/zinc/60/42/00/603604200.db2.gz	GKAFGNKHUSOUPH-UHFFFAOYSA-N	-1	0	278.272	0.119	20	30		CCEDRM
N#Cc1cc(F)ccc1NC(=O)C(=O)NCCNC(=O)[O-]	ZINC000831118287	603672389	/nfs/dbraw/zinc/67/23/89/603672389.db2.gz	STXNNNQMWNEQQB-UHFFFAOYSA-N	-1	0	294.242	0.020	20	30		CCEDRM
N#C[C@H]1CN(C(=O)[O-])CCN1Cc1nc(C2CC2)no1	ZINC000831091375	603725585	/nfs/dbraw/zinc/72/55/85/603725585.db2.gz	CKVXEPNJASEREG-VIFPVBQESA-N	-1	0	277.284	0.635	20	30		CCEDRM
N#C[C@@H]1CN(C(=O)[O-])CCN1CCOC[C@@H]1CCCO1	ZINC000831092651	603728516	/nfs/dbraw/zinc/72/85/16/603728516.db2.gz	XTPPHJCVUVUSTK-NEPJUHHUSA-N	-1	0	283.328	0.370	20	30		CCEDRM
N#CCCn1ccc(NC(=O)[C@]2(F)CCN(C(=O)[O-])C2)n1	ZINC000831097022	603900628	/nfs/dbraw/zinc/90/06/28/603900628.db2.gz	BNBHRHQRSIENTI-LBPRGKRZSA-N	-1	0	295.274	0.827	20	30		CCEDRM
C[C@]1(C(=O)NC2CCN(CC#N)CC2)CCN(C(=O)[O-])C1	ZINC000825657381	603931540	/nfs/dbraw/zinc/93/15/40/603931540.db2.gz	RIGQNWPPLOLZIE-AWEZNQCLSA-N	-1	0	294.355	0.481	20	30		CCEDRM
N#C[C@@H](NC(=O)[C@]1(F)CCN(C(=O)[O-])C1)C1CC1	ZINC000831069919	604004414	/nfs/dbraw/zinc/00/44/14/604004414.db2.gz	AADSNACPERDJSS-KCJUWKMLSA-N	-1	0	255.249	0.497	20	30		CCEDRM
N#Cc1ccc(F)c(Cn2nnnc2CNC(=O)[O-])c1	ZINC000831131992	604030312	/nfs/dbraw/zinc/03/03/12/604030312.db2.gz	JCQBUEHCGCTXKD-UHFFFAOYSA-N	-1	0	276.231	0.500	20	30		CCEDRM
N#C[C@H]1CN(C(=O)[O-])CCN1C(=O)[C@@H]1CCCOC1	ZINC000831076459	604071431	/nfs/dbraw/zinc/07/14/31/604071431.db2.gz	MTYPSRIPWBITDS-ZJUUUORDSA-N	-1	0	267.285	0.127	20	30		CCEDRM
N#Cc1cccc(CC(=O)N2CCN(C(=O)[O-])C[C@@H]2C#N)c1	ZINC000831145920	604072203	/nfs/dbraw/zinc/07/22/03/604072203.db2.gz	FLFWNEQTAVMCFT-ZDUSSCGKSA-N	-1	0	298.302	0.815	20	30		CCEDRM
Cc1[nH]ccc1C(=O)N1CCN(C(=O)[O-])C[C@@H]1C#N	ZINC000829828204	604077684	/nfs/dbraw/zinc/07/76/84/604077684.db2.gz	MBRFQULOYZQGAP-VIFPVBQESA-N	-1	0	262.269	0.651	20	30		CCEDRM
C#CCNC(=O)N1CCC(OCCCNC(=O)[O-])CC1	ZINC000823456118	604131440	/nfs/dbraw/zinc/13/14/40/604131440.db2.gz	KJWUKBZAPCWTMU-UHFFFAOYSA-N	-1	0	283.328	0.468	20	30		CCEDRM
Cn1cc(C#N)c(NC(=O)NC[C@H]2CCCN2C(=O)[O-])n1	ZINC000830985469	604154894	/nfs/dbraw/zinc/15/48/94/604154894.db2.gz	RAWUJCPEMBLDQZ-SECBINFHSA-N	-1	0	292.299	0.556	20	30		CCEDRM
C[C@@H]1CC[C@@H](C(=O)N2CCN(C(=O)[O-])C[C@@H]2C#N)O1	ZINC000825866900	604391042	/nfs/dbraw/zinc/39/10/42/604391042.db2.gz	TWKRFWUPSOPRAJ-UTLUCORTSA-N	-1	0	267.285	0.268	20	30		CCEDRM
C[C@H](NC(=O)[O-])[C@@H]1CN(c2ccc(C#N)cn2)CCO1	ZINC000825373385	604452871	/nfs/dbraw/zinc/45/28/71/604452871.db2.gz	XRKMMJFNRTUXGS-ONGXEEELSA-N	-1	0	276.296	0.815	20	30		CCEDRM
C[C@H](NC(=O)[O-])[C@@H]1CN(c2ccc(C#N)nc2)CCO1	ZINC000825372715	604453068	/nfs/dbraw/zinc/45/30/68/604453068.db2.gz	QLHBOBTXHFJCHL-CABZTGNLSA-N	-1	0	276.296	0.815	20	30		CCEDRM
Cc1cc(Cn2cc(C(=O)[O-])cc(C#N)c2=O)nn1C	ZINC000832886991	604711076	/nfs/dbraw/zinc/71/10/76/604711076.db2.gz	PPUHANRYZNAPHG-UHFFFAOYSA-N	-1	0	272.264	0.508	20	30		CCEDRM
C#CCN1CCN(C(=O)Cc2ccccc2C(=O)[O-])CC1	ZINC000228045989	604785628	/nfs/dbraw/zinc/78/56/28/604785628.db2.gz	FNQZZIJWXFNFRO-UHFFFAOYSA-N	-1	0	286.331	0.705	20	30		CCEDRM
C[C@H](CC#N)N(C)C(=O)C[C@@H]1CN(C(=O)[O-])CCO1	ZINC000824543475	604832180	/nfs/dbraw/zinc/83/21/80/604832180.db2.gz	ILIFWXSFCWYSMS-NXEZZACHSA-N	-1	0	269.301	0.516	20	30		CCEDRM
CC1CC(C#N)(C(=O)N2CCC([C@H](O)C(=O)[O-])CC2)C1	ZINC000833592093	604899789	/nfs/dbraw/zinc/89/97/89/604899789.db2.gz	IVXOPBHWZZXHIH-ZQDGQSPWSA-N	-1	0	280.324	0.610	20	30		CCEDRM
C[C@H]1CC(=O)CC[C@@H]1C(=O)N(CC#N)CC(=O)[O-]	ZINC000833587532	604998826	/nfs/dbraw/zinc/99/88/26/604998826.db2.gz	LFOOPNFJSJPBEC-WPRPVWTQSA-N	-1	0	252.270	0.428	20	30		CCEDRM
COc1ccc(C#N)cc1Cn1nc(C(=O)[O-])ccc1=O	ZINC000229616424	605010863	/nfs/dbraw/zinc/01/08/63/605010863.db2.gz	ZHGLOQWCDGETBS-UHFFFAOYSA-N	-1	0	285.259	0.870	20	30		CCEDRM
C#CCCCCC(=O)N1CCO[C@H](CC(=O)[O-])C1	ZINC000236432146	605013428	/nfs/dbraw/zinc/01/34/28/605013428.db2.gz	QOXHFTLTPKVMLA-LLVKDONJSA-N	-1	0	253.298	0.882	20	30		CCEDRM
C#CCCCCC(=O)N1CCC([C@H](O)C(=O)[O-])CC1	ZINC000833362984	605014443	/nfs/dbraw/zinc/01/44/43/605014443.db2.gz	UXOLAKKCBNCJRC-ZDUSSCGKSA-N	-1	0	267.325	0.864	20	30		CCEDRM
C[C@H](C(=O)[O-])n1cccc1C=NN1CC(=O)NC1=O	ZINC000833407254	605039222	/nfs/dbraw/zinc/03/92/22/605039222.db2.gz	MISHEQQYSWIREI-SSDOTTSWSA-N	-1	0	264.241	0.019	20	30		CCEDRM
N#CCCN(CN1C[C@H](C(=O)[O-])CC1=O)CC(F)(F)F	ZINC000833760072	605177473	/nfs/dbraw/zinc/17/74/73/605177473.db2.gz	GBIFUSISOKBEFK-MRVPVSSYSA-N	-1	0	293.245	0.655	20	30		CCEDRM
N#CC1(C(=O)O[C@H]2CN(C(=O)[O-])CCC2=O)CCOCC1	ZINC000831070505	605199876	/nfs/dbraw/zinc/19/98/76/605199876.db2.gz	MFVUOIRYZGRPRI-JTQLQIEISA-N	-1	0	296.279	0.171	20	30		CCEDRM
N#Cc1ccc2c(c1)N(C(=O)COCCNC(=O)[O-])CC2	ZINC000833976798	605364981	/nfs/dbraw/zinc/36/49/81/605364981.db2.gz	LTWQNHZWZJWXDX-UHFFFAOYSA-N	-1	0	289.291	0.732	20	30		CCEDRM
N#CC1(NC(=O)C[C@@H]2CSCCN2C(=O)[O-])CC1	ZINC000831070815	605435280	/nfs/dbraw/zinc/43/52/80/605435280.db2.gz	SMAPLPHJNYKVBJ-MRVPVSSYSA-N	-1	0	269.326	0.644	20	30		CCEDRM
C[C@H](CS(=O)(=O)N1CCC(C)(C#N)CC1)C(=O)[O-]	ZINC000833517982	605610866	/nfs/dbraw/zinc/61/08/66/605610866.db2.gz	FMGTUJWOXVHGMK-SECBINFHSA-N	-1	0	274.342	0.663	20	30		CCEDRM
COC[C@@H](C#N)OC(=O)C(C)(C)N1CCN(C(=O)[O-])CC1	ZINC000833881886	605642226	/nfs/dbraw/zinc/64/22/26/605642226.db2.gz	FJNAKXUXAXFVHG-SNVBAGLBSA-N	-1	0	299.327	0.142	20	30		CCEDRM
C[C@@H](NC(=O)[O-])C(=O)OCC(=O)c1ccc(C#N)cc1	ZINC000833894654	605719569	/nfs/dbraw/zinc/71/95/69/605719569.db2.gz	DREYGWXAMGBXKW-MRVPVSSYSA-N	-1	0	276.248	0.940	20	30		CCEDRM
C[C@H](NC(=O)[O-])[C@H]1CN(Cc2ccnc(C#N)c2)CCO1	ZINC000833820538	605782943	/nfs/dbraw/zinc/78/29/43/605782943.db2.gz	RYQVKOGUBRTPHA-GXFFZTMASA-N	-1	0	290.323	0.810	20	30		CCEDRM
C[C@@H](CNC(=O)[O-])CNC(=O)NCCCCC#N	ZINC000833809782	605792141	/nfs/dbraw/zinc/79/21/41/605792141.db2.gz	VZXBONSUTQANBZ-SECBINFHSA-N	-1	0	256.306	0.883	20	30		CCEDRM
N#CC1CCN(C(=O)NC[C@H](NC(=O)[O-])C2CC2)CC1	ZINC000833968154	605848212	/nfs/dbraw/zinc/84/82/12/605848212.db2.gz	UNJZYPSHOUIGQB-NSHDSACASA-N	-1	0	280.328	0.978	20	30		CCEDRM
N#Cc1ccc(C(=O)N2CC[C@@H](CNC(=O)[O-])C2)[nH]1	ZINC000833974976	605861469	/nfs/dbraw/zinc/86/14/69/605861469.db2.gz	YGGVVYCDQXTAGF-QMMMGPOBSA-N	-1	0	262.269	0.616	20	30		CCEDRM
N#CCn1cc(NC(=O)CN(C(=O)[O-])C2CC2)cn1	ZINC000833970443	605964460	/nfs/dbraw/zinc/96/44/60/605964460.db2.gz	SXPVCLNHAVUWPD-UHFFFAOYSA-N	-1	0	263.257	0.488	20	30		CCEDRM
N#C[C@H]1CSCCN1C(=O)[C@H]1CCCN(C(=O)[O-])C1	ZINC000833968206	605973177	/nfs/dbraw/zinc/97/31/77/605973177.db2.gz	USAQZJUUPYKAPL-UWVGGRQHSA-N	-1	0	283.353	0.844	20	30		CCEDRM
N#C[C@@H](C(=O)CN(C(=O)[O-])C1CC1)C(=O)N1CCCC1	ZINC000833961022	605981738	/nfs/dbraw/zinc/98/17/38/605981738.db2.gz	NLGZXSQBEVDJRG-JTQLQIEISA-N	-1	0	279.296	0.460	20	30		CCEDRM
Cn1ccnc(N=NC2CCCN(C(=O)[O-])CC2)c1=O	ZINC000833953301	605991642	/nfs/dbraw/zinc/99/16/42/605991642.db2.gz	VJXFQFPPBODVKG-UHFFFAOYSA-N	-1	0	279.300	0.712	20	30		CCEDRM
N#CC1(COC(=O)CCOC2CN(C(=O)[O-])C2)CC1	ZINC000833965083	606103451	/nfs/dbraw/zinc/10/34/51/606103451.db2.gz	ZFDBAOWYDGJZNP-UHFFFAOYSA-N	-1	0	268.269	0.602	20	30		CCEDRM
C[C@H](C(=O)Nc1nc(C#N)c(-c2nn[nH]n2)[n-]1)C1CC1	ZINC000819875957	606184709	/nfs/dbraw/zinc/18/47/09/606184709.db2.gz	COCBXGWMMIENGQ-YFKPBYRVSA-N	-1	0	272.272	0.446	20	30		CCEDRM
C#CCCS(=O)(=O)[N-]C(=O)C1(COC)CCC1	ZINC000810784487	613052545	/nfs/dbraw/zinc/05/25/45/613052545.db2.gz	HPTFEHWOSFMKHU-UHFFFAOYSA-N	-1	0	259.327	0.272	20	30		CCEDRM
C#CCCS(=O)(=O)[N-]C(=O)[C@@H]1CCC[C@@H](OC)C1	ZINC000816056043	613053246	/nfs/dbraw/zinc/05/32/46/613053246.db2.gz	BTTFFAAKNGNFJN-GHMZBOCLSA-N	-1	0	273.354	0.661	20	30		CCEDRM
C#CCCS(=O)(=O)[N-]C(=O)CSC(F)F	ZINC000835371812	613053006	/nfs/dbraw/zinc/05/30/06/613053006.db2.gz	NURCCIKADZJXHE-UHFFFAOYSA-N	-1	0	257.283	0.412	20	30		CCEDRM
C#CC[C@H](NC(=O)CC[C@@H]1CC[C@@H](C)O1)C(=O)[O-]	ZINC000910053938	613067653	/nfs/dbraw/zinc/06/76/53/613067653.db2.gz	FJGOFGBWEUBCGY-VWYCJHECSA-N	-1	0	253.298	0.927	20	30		CCEDRM
N#Cc1c(-c2nnn[n-]2)nc(N)n1CCc1cccs1	ZINC000822814519	607237844	/nfs/dbraw/zinc/23/78/44/607237844.db2.gz	HLFOBSXDSUWQCH-UHFFFAOYSA-N	-1	0	286.324	0.821	20	30		CCEDRM
C#CC[C@H](NC(=O)[C@@H]1CCO[C@H](CC)C1)C(=O)[O-]	ZINC000910048982	613068747	/nfs/dbraw/zinc/06/87/47/613068747.db2.gz	QISHDVSHZAGBLL-MXWKQRLJSA-N	-1	0	253.298	0.784	20	30		CCEDRM
C#CC[C@H](NC(=O)[C@@H]1CCO[C@H]1C1CC1)C(=O)[O-]	ZINC000910048577	613068765	/nfs/dbraw/zinc/06/87/65/613068765.db2.gz	MUACJDKFIWHPMV-VWYCJHECSA-N	-1	0	251.282	0.394	20	30		CCEDRM
C#CCN(CC#C)C(=O)c1cnc(NC(=O)[O-])cn1	ZINC000833786891	613099111	/nfs/dbraw/zinc/09/91/11/613099111.db2.gz	CXAWIUOPOZSNNT-UHFFFAOYSA-N	-1	0	258.237	0.275	20	30		CCEDRM
C#CCC(C)(C)C(=O)[N-]S(=O)(=O)Cc1cnn(C)c1	ZINC000847847667	612966116	/nfs/dbraw/zinc/96/61/16/612966116.db2.gz	PUCXVWFFKQYIDF-UHFFFAOYSA-N	-1	0	283.353	0.416	20	30		CCEDRM
C=CCCN(C)C(=O)C(=O)NC[C@H](CC)C(=O)[O-]	ZINC000927960072	613476213	/nfs/dbraw/zinc/47/62/13/613476213.db2.gz	LCOICUQDEPHOHJ-VIFPVBQESA-N	-1	0	256.302	0.248	20	30		CCEDRM
COc1cc(OC)c(C=NNCC(=O)[O-])c(OC)c1	ZINC000814960786	617210625	/nfs/dbraw/zinc/21/06/25/617210625.db2.gz	RCMKKURXBHCHCP-UHFFFAOYSA-N	-1	0	268.269	0.721	20	30		CCEDRM
COc1cc(OC)cc(C(=O)[N-]S(=O)(=O)CCC#N)c1	ZINC000821582122	617211149	/nfs/dbraw/zinc/21/11/49/617211149.db2.gz	DFKVVOVNXGQSPB-UHFFFAOYSA-N	-1	0	298.320	0.677	20	30		CCEDRM
CC(C)OC(=O)[C@H](C)CNC(=O)[C@@](C)(C#N)CC(=O)[O-]	ZINC000820030035	613996936	/nfs/dbraw/zinc/99/69/36/613996936.db2.gz	YCPMBDSQRMRMGA-NOZJJQNGSA-N	-1	0	284.312	0.695	20	30		CCEDRM
CC(C)Oc1ncccc1C(=O)[N-]S(=O)(=O)CCC#N	ZINC000821582520	614059414	/nfs/dbraw/zinc/05/94/14/614059414.db2.gz	PGAWGIZTWBWLDC-UHFFFAOYSA-N	-1	0	297.336	0.842	20	30		CCEDRM
CC(=O)Nc1c(C)[n-]n(-c2cc(C#N)cc(Cl)n2)c1=O	ZINC000871955686	614117104	/nfs/dbraw/zinc/11/71/04/614117104.db2.gz	XGPVPDMUZNLMIF-LLVKDONJSA-N	-1	0	291.698	0.834	20	30		CCEDRM
CC(C)[C@@](C)(O)CNC(=O)[C@](C)(C#N)CC(=O)[O-]	ZINC000819955378	614183670	/nfs/dbraw/zinc/18/36/70/614183670.db2.gz	WXZQMHGKSYGNCW-RYUDHWBXSA-N	-1	0	256.302	0.514	20	30		CCEDRM
C#CCOCCC(=O)N(CC(=O)[O-])C1CCOCC1	ZINC000833364443	612977380	/nfs/dbraw/zinc/97/73/80/612977380.db2.gz	REQFDGICISMZPJ-UHFFFAOYSA-N	-1	0	269.297	0.119	20	30		CCEDRM
CC(Cn1nc(C)cc1C)=NOCC(=O)NCC(=O)[O-]	ZINC000820106883	614383748	/nfs/dbraw/zinc/38/37/48/614383748.db2.gz	BEAYPKQZAUMRST-UHFFFAOYSA-N	-1	0	282.300	0.093	20	30		CCEDRM
COc1ccc(C=NNC[C@H](C)O)c(OCC(=O)[O-])c1	ZINC000814962843	617238564	/nfs/dbraw/zinc/23/85/64/617238564.db2.gz	VZMRVPMSVCEZLN-VIFPVBQESA-N	-1	0	282.296	0.463	20	30		CCEDRM
COc1ccc(F)cc1C=Nn1c(=O)[n-][nH]c1=O	ZINC000814232219	617265380	/nfs/dbraw/zinc/26/53/80/617265380.db2.gz	NUJBXXCUMXBXIP-UHFFFAOYSA-N	-1	0	252.205	0.719	20	30		CCEDRM
CSc1cc(C(=O)[N-]S(=O)(=O)CCC#N)ccn1	ZINC000821584278	617278971	/nfs/dbraw/zinc/27/89/71/617278971.db2.gz	XEUACEHSURQIDI-UHFFFAOYSA-N	-1	0	285.350	0.777	20	30		CCEDRM
C#CC(=O)N1CCC[C@@H]([N-]C(=O)C(F)(F)F)[C@H]1C	ZINC000848342688	612945421	/nfs/dbraw/zinc/94/54/21/612945421.db2.gz	ZWZOUKYRFVCWQH-HTQZYQBOSA-N	-1	0	262.231	0.678	20	30		CCEDRM
C#CCNC(=O)[C@@H](C)OC(=O)CC1(NC(=O)[O-])CCC1	ZINC000823457334	612948327	/nfs/dbraw/zinc/94/83/27/612948327.db2.gz	YEBJFECDBZKPKH-SECBINFHSA-N	-1	0	282.296	0.248	20	30		CCEDRM
C#CCC(C)(C)C(=O)[N-]S(=O)(=O)[C@@H](C)C(=O)OC	ZINC000810670945	612966055	/nfs/dbraw/zinc/96/60/55/612966055.db2.gz	NTGSQUZAIANYAF-QMMMGPOBSA-N	-1	0	275.326	0.043	20	30		CCEDRM
C#CCCc1cc(=O)n(-c2ncnc3[nH]cnc32)[n-]1	ZINC000899349221	612974376	/nfs/dbraw/zinc/97/43/76/612974376.db2.gz	YPALBEAAKKEVBN-UHFFFAOYSA-N	-1	0	254.253	0.859	20	30		CCEDRM
C#CCCCC(=O)N1CCC[C@@H](n2cc(C(=O)[O-])nn2)C1	ZINC000909858004	612974613	/nfs/dbraw/zinc/97/46/13/612974613.db2.gz	ZKZITNZBFCNVTJ-LLVKDONJSA-N	-1	0	290.323	0.943	20	30		CCEDRM
C#CCCCCNC(=O)[C@]1(F)CCN(C(=O)[O-])C1	ZINC000823440750	612978332	/nfs/dbraw/zinc/97/83/32/612978332.db2.gz	HFQKAFNLWRIFTL-LBPRGKRZSA-N	-1	0	256.277	0.998	20	30		CCEDRM
C#CCCCNC(=O)CN(C[C@@H]1CCCO1)C(=O)[O-]	ZINC000823444755	612980994	/nfs/dbraw/zinc/98/09/94/612980994.db2.gz	PWSPZYQLRCNSBH-NSHDSACASA-N	-1	0	268.313	0.675	20	30		CCEDRM
C#CCOCCC(=O)Nc1cc(C(=O)[O-])c[nH]c1=O	ZINC000833364500	612981122	/nfs/dbraw/zinc/98/11/22/612981122.db2.gz	SQBNWUMKFLMLJD-UHFFFAOYSA-N	-1	0	264.237	0.464	20	30		CCEDRM
C#CCCCNC(=O)N[C@H](COCC=C)C(=O)[O-]	ZINC000909027928	612982260	/nfs/dbraw/zinc/98/22/60/612982260.db2.gz	PXKHLAXGTLKIBY-SNVBAGLBSA-N	-1	0	254.286	0.355	20	30		CCEDRM
C#CCOCCNC(=O)[C@@H](C)S[C@H](C)C(=O)[O-]	ZINC000872857336	612988404	/nfs/dbraw/zinc/98/84/04/612988404.db2.gz	PHCKHQSDMQQYIE-RKDXNWHRSA-N	-1	0	259.327	0.347	20	30		CCEDRM
C#CCO[N-]C(=O)C1CN(C(=O)C2CCCCC2)C1	ZINC000839775467	612991790	/nfs/dbraw/zinc/99/17/90/612991790.db2.gz	URDREWLDKTWEJJ-UHFFFAOYSA-N	-1	0	264.325	0.706	20	30		CCEDRM
C#CCO[N-]C(=O)CN1c2ccccc2OCCC1=O	ZINC000812785719	612992068	/nfs/dbraw/zinc/99/20/68/612992068.db2.gz	GYEGABOSJGHXIC-UHFFFAOYSA-N	-1	0	274.276	0.483	20	30		CCEDRM
C#CCO[N-]C(=O)[C@@H](Cc1ccccc1)n1nnnc1C	ZINC000855603515	612992354	/nfs/dbraw/zinc/99/23/54/612992354.db2.gz	QFVNYBUBUDNCGE-CYBMUJFWSA-N	-1	0	285.307	0.446	20	30		CCEDRM
C#CCO[N-]C(=O)Cc1nnn(-c2ccccc2)c1C	ZINC000812785631	612992369	/nfs/dbraw/zinc/99/23/69/612992369.db2.gz	ZXLKBRFZMABKJI-UHFFFAOYSA-N	-1	0	270.292	0.799	20	30		CCEDRM
C#CCONC(=O)c1ccc2c(c1)[n-]c(=S)[nH]c2=O	ZINC000812786874	612993470	/nfs/dbraw/zinc/99/34/70/612993470.db2.gz	YHLDVWWYLKDORC-UHFFFAOYSA-N	-1	0	275.289	0.919	20	30		CCEDRM
C#CCO[C@@H](C)C(=O)NCc1ccc(C(=O)[O-])nc1	ZINC000910978980	612996547	/nfs/dbraw/zinc/99/65/47/612996547.db2.gz	BMAHMGXPXZKOCS-VIFPVBQESA-N	-1	0	262.265	0.434	20	30		CCEDRM
C#CCO[C@@H](C)C(=O)N[C@@H](C(=O)[O-])c1ccccn1	ZINC000911482123	612996891	/nfs/dbraw/zinc/99/68/91/612996891.db2.gz	QMTPXHQCAGCNLG-GXSJLCMTSA-N	-1	0	262.265	0.362	20	30		CCEDRM
C#CCO[C@@H](C)C(=O)N[C@H](CC(=O)[O-])c1ccncc1	ZINC000911663271	612997217	/nfs/dbraw/zinc/99/72/17/612997217.db2.gz	OOYKCDOOQHYHTO-CMPLNLGQSA-N	-1	0	276.292	0.752	20	30		CCEDRM
C#CCO[C@H](C)C(=O)N(CCC(=O)[O-])C[C@@H]1CCCO1	ZINC000908988281	612998956	/nfs/dbraw/zinc/99/89/56/612998956.db2.gz	OBCLNQYJGGYDNI-NEPJUHHUSA-N	-1	0	283.324	0.507	20	30		CCEDRM
C#CCO[C@H](C)C(=O)NCC1(C(=O)[O-])CCOCC1	ZINC000909520657	613001319	/nfs/dbraw/zinc/00/13/19/613001319.db2.gz	DHYXNKVHUZDZRB-SNVBAGLBSA-N	-1	0	269.297	0.022	20	30		CCEDRM
C#CCO[C@H](C)C(=O)N[C@@](C)(CC(=O)[O-])c1ccccn1	ZINC000911616132	613002919	/nfs/dbraw/zinc/00/29/19/613002919.db2.gz	JOGIDLWHDJSDJW-ABAIWWIYSA-N	-1	0	290.319	0.926	20	30		CCEDRM
C#CCO[C@H](C)C(=O)N[C@H](CC(=O)[O-])c1ccncc1	ZINC000911663274	613003054	/nfs/dbraw/zinc/00/30/54/613003054.db2.gz	OOYKCDOOQHYHTO-ZYHUDNBSSA-N	-1	0	276.292	0.752	20	30		CCEDRM
C#CCO[C@H](C)C(=O)N[C@]1(C(=O)[O-])CCSC1	ZINC000909357600	613003637	/nfs/dbraw/zinc/00/36/37/613003637.db2.gz	OBTSRTRTROYGAU-LDYMZIIASA-N	-1	0	257.311	0.101	20	30		CCEDRM
C#CC[C@@H](NC(=O)CCc1c(C)n[nH]c1C)C(=O)[O-]	ZINC000910051917	613039859	/nfs/dbraw/zinc/03/98/59/613039859.db2.gz	ITWCIRGNKMTUAQ-LLVKDONJSA-N	-1	0	263.297	0.552	20	30		CCEDRM
C#CC[C@@H](NC(=O)Cc1ccc2c(c1)OCO2)C(=O)[O-]	ZINC000910053746	613040259	/nfs/dbraw/zinc/04/02/59/613040259.db2.gz	CUTHMFFGHIRQIC-SNVBAGLBSA-N	-1	0	275.260	0.551	20	30		CCEDRM
C#CC[C@@H](NC(=O)Cc1ccc(C)c(O)c1)C(=O)[O-]	ZINC000910049958	613040349	/nfs/dbraw/zinc/04/03/49/613040349.db2.gz	AZIQETCPKAZAIK-LLVKDONJSA-N	-1	0	261.277	0.836	20	30		CCEDRM
C#CC[C@@H](NC(=O)[C@@H]1COc2cc(F)ccc2C1)C(=O)[O-]	ZINC000910048346	613040786	/nfs/dbraw/zinc/04/07/86/613040786.db2.gz	JHBZWIDGPXOLMP-CMPLNLGQSA-N	-1	0	291.278	0.970	20	30		CCEDRM
C#CC[C@@H](NC(=O)[C@H](C)Oc1cccnc1)C(=O)[O-]	ZINC000910050657	613040968	/nfs/dbraw/zinc/04/09/68/613040968.db2.gz	MXOXAXQVYJFXEE-GXSJLCMTSA-N	-1	0	262.265	0.442	20	30		CCEDRM
C#CC[C@@H](NC(=O)[C@H](c1ccccc1)N(C)C)C(=O)[O-]	ZINC000910051798	613041185	/nfs/dbraw/zinc/04/11/85/613041185.db2.gz	HSDAJBAGRTXUEN-OLZOCXBDSA-N	-1	0	274.320	0.882	20	30		CCEDRM
C#CC[C@@H](NC(=O)[C@H]1CSCN1C(=O)CCC)C(=O)[O-]	ZINC000910055114	613041393	/nfs/dbraw/zinc/04/13/93/613041393.db2.gz	XQNKQXUIRGTWPZ-NXEZZACHSA-N	-1	0	298.364	0.281	20	30		CCEDRM
C#CC[C@@H](NC(=O)c1onc2c1CCCC2)C(=O)[O-]	ZINC000910050385	613042492	/nfs/dbraw/zinc/04/24/92/613042492.db2.gz	JGEVWSDKKCYJJC-SNVBAGLBSA-N	-1	0	262.265	0.760	20	30		CCEDRM
C#CC[C@@H]1CCCN(C(=O)Cn2cc(C(=O)[O-])nn2)C1	ZINC000851616460	613044220	/nfs/dbraw/zinc/04/42/20/613044220.db2.gz	OUZXMSUTWXOFDC-SNVBAGLBSA-N	-1	0	276.296	0.238	20	30		CCEDRM
C#CC[C@@H]1CCCN(C(=O)NCC(=O)[N-]OC)C1	ZINC000927215824	613044555	/nfs/dbraw/zinc/04/45/55/613044555.db2.gz	AXSWFZSYDHPWLE-SNVBAGLBSA-N	-1	0	253.302	0.109	20	30		CCEDRM
C#CCCS(=O)(=O)[N-]C(=O)Cn1cc(C2CC2)cn1	ZINC000850999438	613053002	/nfs/dbraw/zinc/05/30/02/613053002.db2.gz	FCVFIKWVNMGLQO-UHFFFAOYSA-N	-1	0	281.337	0.230	20	30		CCEDRM
C#CCCS(=O)(=O)[N-]C(=O)[C@@](C)(OC)C1CC1	ZINC000813094272	613053112	/nfs/dbraw/zinc/05/31/12/613053112.db2.gz	JXZILRWPMFCCJV-NSHDSACASA-N	-1	0	259.327	0.271	20	30		CCEDRM
C#CCCS(=O)(=O)[N-]C(=O)[C@@H]1CCO[C@H](CC)C1	ZINC000810785139	613053179	/nfs/dbraw/zinc/05/31/79/613053179.db2.gz	YQVLBKQCSLJFMU-GHMZBOCLSA-N	-1	0	273.354	0.661	20	30		CCEDRM
C#CCCS(=O)(=O)[N-]C(=O)[C@H]1CC[C@@H](OC)C1	ZINC000850999765	613053404	/nfs/dbraw/zinc/05/34/04/613053404.db2.gz	IWUBIJBJBQYJKV-VHSXEESVSA-N	-1	0	259.327	0.271	20	30		CCEDRM
C#CCCS(=O)(=O)[N-]C(=O)c1cc(=O)[nH]c(C2CC2)c1	ZINC000810784379	613053511	/nfs/dbraw/zinc/05/35/11/613053511.db2.gz	CECMDMLDOVQBTN-UHFFFAOYSA-N	-1	0	294.332	0.748	20	30		CCEDRM
C#CCCS(=O)(=O)[N-]C(=O)c1ccc(C#N)s1	ZINC000810784322	613053530	/nfs/dbraw/zinc/05/35/30/613053530.db2.gz	AGRKQZWAJGTOQW-UHFFFAOYSA-N	-1	0	268.319	0.703	20	30		CCEDRM
C#CCCS(=O)(=O)[N-]C(=O)c1cc[nH]c1C1CC1	ZINC000810782870	613053651	/nfs/dbraw/zinc/05/36/51/613053651.db2.gz	VIXOVVLAGWQSQC-UHFFFAOYSA-N	-1	0	266.322	0.975	20	30		CCEDRM
C#CCCS(=O)(=O)[N-]C(=O)c1coc(CC)n1	ZINC000810784430	613053716	/nfs/dbraw/zinc/05/37/16/613053716.db2.gz	FCQRQJSXXGFGFY-UHFFFAOYSA-N	-1	0	256.283	0.320	20	30		CCEDRM
C#CCCS(=O)(=O)[N-]C(=O)c1cnc(C(C)(C)C)nc1	ZINC000810780120	613053869	/nfs/dbraw/zinc/05/38/69/613053869.db2.gz	OSAWRKGTEXNQHH-UHFFFAOYSA-N	-1	0	295.364	0.857	20	30		CCEDRM
C#CCCS(=O)(=O)N[C@@H]1Cc2ccccc2N(C)C1=O	ZINC000849423551	613055097	/nfs/dbraw/zinc/05/50/97/613055097.db2.gz	NMMOINACJLKCBN-GFCCVEGCSA-N	-1	0	292.360	0.517	20	30		CCEDRM
C#CC[C@H](CO)NS(=O)(=O)c1cccc(Cl)c1[O-]	ZINC000882340236	613059354	/nfs/dbraw/zinc/05/93/54/613059354.db2.gz	RLMUUQRVBLWCNS-MRVPVSSYSA-N	-1	0	289.740	0.708	20	30		CCEDRM
C#CC[C@H](NC(=O)C[C@@H]1CCCC[C@H]1O)C(=O)[O-]	ZINC000910050872	613068073	/nfs/dbraw/zinc/06/80/73/613068073.db2.gz	PEDCQFKXIJGNFP-GARJFASQSA-N	-1	0	253.298	0.520	20	30		CCEDRM
C#CC[C@H](NC(=O)C[C@@](C)(O)c1ccccc1)C(=O)[O-]	ZINC000910049916	613068123	/nfs/dbraw/zinc/06/81/23/613068123.db2.gz	ABPPYDDZRJRLIK-SWLSCSKDSA-N	-1	0	275.304	0.877	20	30		CCEDRM
C#CC[C@H](NC(=O)Cn1ccnc1C(C)C)C(=O)[O-]	ZINC000910050382	613068274	/nfs/dbraw/zinc/06/82/74/613068274.db2.gz	JEPLXMOERMOWCY-JTQLQIEISA-N	-1	0	263.297	0.599	20	30		CCEDRM
C#CC[C@H](NC(=O)[C@@H](OC)C1CCCC1)C(=O)[O-]	ZINC000910046339	613068851	/nfs/dbraw/zinc/06/88/51/613068851.db2.gz	MUQDEOMMYOBALT-QWRGUYRKSA-N	-1	0	253.298	0.784	20	30		CCEDRM
C#CC[C@H](NC(=O)[C@H]1CCCN1c1nccs1)C(=O)[O-]	ZINC000910051750	613069589	/nfs/dbraw/zinc/06/95/89/613069589.db2.gz	ZUWUPSREENUCIF-VHSXEESVSA-N	-1	0	293.348	0.705	20	30		CCEDRM
C#CC[C@H](NC(=O)c1cn2c(n1)CC[C@H](C)C2)C(=O)[O-]	ZINC000910049919	613070389	/nfs/dbraw/zinc/07/03/89/613070389.db2.gz	ACSYZJOVLDSXBB-UWVGGRQHSA-N	-1	0	275.308	0.672	20	30		CCEDRM
C#C[C@@H](C)N(C)S(=O)(=O)c1ccc(O)c(C(=O)[O-])c1	ZINC000906956188	613079795	/nfs/dbraw/zinc/07/97/95/613079795.db2.gz	FHIHLPAQNUHQHZ-MRVPVSSYSA-N	-1	0	283.305	0.733	20	30		CCEDRM
C#C[C@@H](NC(=O)N[C@H]1CC[C@@H](C(=O)[O-])C1)[C@@H]1CCCO1	ZINC000831038903	613097622	/nfs/dbraw/zinc/09/76/22/613097622.db2.gz	MTFGAAINRITOLR-KXNHARMFSA-N	-1	0	280.324	0.720	20	30		CCEDRM
C#C[C@@H](NC(=O)[C@H]1CC[C@H]1C(=O)[O-])C1CCOCC1	ZINC000911791481	613098463	/nfs/dbraw/zinc/09/84/63/613098463.db2.gz	NTTCUBWPQAVDIV-QJPTWQEYSA-N	-1	0	265.309	0.642	20	30		CCEDRM
C#CCN(CC#C)S(=O)(=O)c1csnc1C(=O)[O-]	ZINC000825608836	613099278	/nfs/dbraw/zinc/09/92/78/613099278.db2.gz	MGXXQRCRUPLSEL-UHFFFAOYSA-N	-1	0	284.318	0.098	20	30		CCEDRM
C#CCN(CC#C)S(=O)(=O)c1ccc(F)cc1C(=O)[O-]	ZINC000833364865	613099290	/nfs/dbraw/zinc/09/92/90/613099290.db2.gz	SZAAQIKGIRHINL-UHFFFAOYSA-N	-1	0	295.291	0.781	20	30		CCEDRM
C#CCN(CC(=O)[O-])S(=O)(=O)c1ccc(C)o1	ZINC000849218833	613103547	/nfs/dbraw/zinc/10/35/47/613103547.db2.gz	JZMJATCJPUERDW-UHFFFAOYSA-N	-1	0	257.267	0.297	20	30		CCEDRM
C#CCN(CC(=O)[O-])S(=O)(=O)c1ccccc1COC	ZINC000849218958	613103872	/nfs/dbraw/zinc/10/38/72/613103872.db2.gz	CNTYZVQQBCLZDH-UHFFFAOYSA-N	-1	0	297.332	0.542	20	30		CCEDRM
C#CCN(CC)C(=O)[C@@H]1[C@@H](C)OC(C)(C)N1C(=O)[O-]	ZINC000833787607	613106207	/nfs/dbraw/zinc/10/62/07/613106207.db2.gz	VLUOXJSBMCJSRA-ZJUUUORDSA-N	-1	0	268.313	0.972	20	30		CCEDRM
C#C[C@H](NC(=O)C1(C(=O)[O-])CCC1)C1CCOCC1	ZINC000911794119	613132251	/nfs/dbraw/zinc/13/22/51/613132251.db2.gz	XWMKNWMTVJQQPF-NSHDSACASA-N	-1	0	265.309	0.786	20	30		CCEDRM
C#C[C@H](NC(=O)C[C@@H](C)CC(=O)[O-])[C@H]1CCCO1	ZINC000911578539	613133693	/nfs/dbraw/zinc/13/36/93/613133693.db2.gz	KMSBBADNALWBBV-OUAUKWLOSA-N	-1	0	253.298	0.784	20	30		CCEDRM
C#C[C@H](NC(=O)[C@H]1CC[C@H]1C(=O)[O-])[C@@H]1CCCO1	ZINC000911581211	613147667	/nfs/dbraw/zinc/14/76/67/613147667.db2.gz	WMUOVFDOIYSNHZ-VLEAKVRGSA-N	-1	0	251.282	0.394	20	30		CCEDRM
C#C[C@H](NC(=O)[C@H]1CC[C@@H](CCC(=O)[O-])O1)[C@@H]1CCCO1	ZINC000911578891	613147690	/nfs/dbraw/zinc/14/76/90/613147690.db2.gz	MJUDLXGISPSLQP-ZDEQEGDKSA-N	-1	0	295.335	0.696	20	30		CCEDRM
C#C[C@H](NC(=O)[C@H]1C[C@H]1C(=O)[O-])C1CCOCC1	ZINC000911791090	613147915	/nfs/dbraw/zinc/14/79/15/613147915.db2.gz	LMCOCUVKQLRQRB-AXFHLTTASA-N	-1	0	251.282	0.252	20	30		CCEDRM
C#Cc1ccc(C(=O)N2CCC(O)(C(=O)[O-])CC2)cc1	ZINC000909283300	613167887	/nfs/dbraw/zinc/16/78/87/613167887.db2.gz	WKUZSSXYWGBUFJ-UHFFFAOYSA-N	-1	0	273.288	0.720	20	30		CCEDRM
C#Cc1ccc(S(=O)(=O)[N-]N2CCCNC2=O)cc1	ZINC000907141218	613197837	/nfs/dbraw/zinc/19/78/37/613197837.db2.gz	NFWWYWTYMVOHBX-UHFFFAOYSA-N	-1	0	279.321	0.277	20	30		CCEDRM
C#Cc1cccc(NC(=O)C(=O)N2CCC[C@@H]2C(=O)[O-])c1	ZINC000817882841	613201859	/nfs/dbraw/zinc/20/18/59/613201859.db2.gz	GAZAKQGRTXCKQV-GFCCVEGCSA-N	-1	0	286.287	0.682	20	30		CCEDRM
C#Cc1cccc(NC(=O)C(=O)N2CC[C@H](C(=O)[O-])C2)c1	ZINC000817675236	613202329	/nfs/dbraw/zinc/20/23/29/613202329.db2.gz	FRLHQPYUNZTTTM-NSHDSACASA-N	-1	0	286.287	0.540	20	30		CCEDRM
C#CCN1CCN(C(=O)CSC[C@H](C)C(=O)[O-])CC1	ZINC000825620113	613205761	/nfs/dbraw/zinc/20/57/61/613205761.db2.gz	WIFDISVBMWNAAB-NSHDSACASA-N	-1	0	284.381	0.218	20	30		CCEDRM
C=C(Br)CNC(=O)CCCc1nnn[n-]1	ZINC000874214178	613236025	/nfs/dbraw/zinc/23/60/25/613236025.db2.gz	SWHRZGVXJUMGSN-UHFFFAOYSA-N	-1	0	274.122	0.547	20	30		CCEDRM
C=C(C)CN(C)Cn1nc(C(=O)OC)cc1C(=O)[O-]	ZINC000833368590	613282525	/nfs/dbraw/zinc/28/25/25/613282525.db2.gz	MNZURZBGFAMZIM-UHFFFAOYSA-N	-1	0	267.285	0.833	20	30		CCEDRM
C#CCNC(=O)COC(=O)C(C)(C)C(C)(C)NC(=O)[O-]	ZINC000823457099	613331517	/nfs/dbraw/zinc/33/15/17/613331517.db2.gz	UUQRAWYGBNQGII-UHFFFAOYSA-N	-1	0	284.312	0.351	20	30		CCEDRM
C#CCNC(=O)COC(=O)CC(C)(C)CC(=O)[O-]	ZINC000833365679	613331583	/nfs/dbraw/zinc/33/15/83/613331583.db2.gz	PJKZLEJMDPQTFD-UHFFFAOYSA-N	-1	0	255.270	0.170	20	30		CCEDRM
C#CCNC(=O)COC(=O)Cc1ccccc1C(=O)[O-]	ZINC000833365892	613331754	/nfs/dbraw/zinc/33/17/54/613331754.db2.gz	WFMRKCXIFIOVPN-UHFFFAOYSA-N	-1	0	275.260	0.220	20	30		CCEDRM
C=C(C)CO[N-]C(=O)C(=O)Nc1cc(CC)on1	ZINC000846149286	613352376	/nfs/dbraw/zinc/35/23/76/613352376.db2.gz	JYJVMKHHWRZJKI-UHFFFAOYSA-N	-1	0	253.258	0.799	20	30		CCEDRM
C=C(C)CO[N-]C(=O)[C@H]1C[C@@H](C)[C@H](C(=O)OC)O1	ZINC000869153111	613353867	/nfs/dbraw/zinc/35/38/67/613353867.db2.gz	ORRJJWDEAGEUMB-OPRDCNLKSA-N	-1	0	257.286	0.577	20	30		CCEDRM
C=C(C)CS(=O)(=O)N[C@@H]1CCOC[C@@H]1CC(=O)[O-]	ZINC000899949678	613354196	/nfs/dbraw/zinc/35/41/96/613354196.db2.gz	KBQJWRKTWAJCNH-VHSXEESVSA-N	-1	0	277.342	0.362	20	30		CCEDRM
C=C(C)CS(=O)(=O)N[C@H](C)C1(C(=O)[O-])CCOCC1	ZINC000903542432	613354301	/nfs/dbraw/zinc/35/43/01/613354301.db2.gz	VGTCHOGKVTUXSP-SNVBAGLBSA-N	-1	0	291.369	0.752	20	30		CCEDRM
C=C(C)C[C@@H](NC(=O)[C@H]1CCn2cncc2C1)C(=O)[O-]	ZINC000910291757	613356128	/nfs/dbraw/zinc/35/61/28/613356128.db2.gz	AUKCNQZFQQWCQM-CMPLNLGQSA-N	-1	0	277.324	0.981	20	30		CCEDRM
C=C(C)C[C@@H](NS(=O)(=O)[C@H](C)COC)C(=O)[O-]	ZINC000864452860	613356932	/nfs/dbraw/zinc/35/69/32/613356932.db2.gz	TZSJGFBSAVXJSP-RKDXNWHRSA-N	-1	0	265.331	0.360	20	30		CCEDRM
C=C(C)C[C@H](NC(=O)N[C@@H]1COC[C@H]1C)C(=O)[O-]	ZINC000905607303	613358783	/nfs/dbraw/zinc/35/87/83/613358783.db2.gz	KEQPDEXHFOUGSD-KXUCPTDWSA-N	-1	0	256.302	0.740	20	30		CCEDRM
C=C(C)C[C@H](NC(=O)NCCCn1ccnc1)C(=O)[O-]	ZINC000908736730	613358861	/nfs/dbraw/zinc/35/88/61/613358861.db2.gz	CKPJSYWNWIQQNF-NSHDSACASA-N	-1	0	280.328	0.992	20	30		CCEDRM
C=C(C)C[C@H](NC(=O)[C@H](O)C1CCOCC1)C(=O)[O-]	ZINC000910292897	613359012	/nfs/dbraw/zinc/35/90/12/613359012.db2.gz	SGFNEVLEFSPWQT-WDEREUQCSA-N	-1	0	271.313	0.310	20	30		CCEDRM
C=C(C)C[C@H](NC(=O)c1cnn2c1OCCC2)C(=O)[O-]	ZINC000910291394	613359161	/nfs/dbraw/zinc/35/91/61/613359161.db2.gz	HVKQEDICBUROIE-JTQLQIEISA-N	-1	0	279.296	0.815	20	30		CCEDRM
C=C(C)[C@@H](CC(=O)N[C@@H](Cc1c[nH]cn1)C(=O)[O-])OCC	ZINC000833366753	613360175	/nfs/dbraw/zinc/36/01/75/613360175.db2.gz	CQYMZTBGSSMFND-NWDGAFQWSA-N	-1	0	295.339	0.893	20	30		CCEDRM
C=C(Cl)CNS(=O)(=O)c1ccccc1-c1nn[nH]n1	ZINC000823883470	613383973	/nfs/dbraw/zinc/38/39/73/613383973.db2.gz	QDVIERFXWREEHP-UHFFFAOYSA-N	-1	0	299.743	0.898	20	30		CCEDRM
C=C(Cl)C[C@@H](NC(=O)[C@H](O)C1CCOCC1)C(=O)[O-]	ZINC000910267737	613388659	/nfs/dbraw/zinc/38/86/59/613388659.db2.gz	UKYMTMPFDKKAKP-NXEZZACHSA-N	-1	0	291.731	0.486	20	30		CCEDRM
C=C(Cl)C[C@@H](NS(=O)(=O)C1CC1)C(=O)[O-]	ZINC000863420980	613388719	/nfs/dbraw/zinc/38/87/19/613388719.db2.gz	PBLOJXRUSHQKJC-SSDOTTSWSA-N	-1	0	253.707	0.664	20	30		CCEDRM
C=C(Cl)C[C@@H](NS(=O)(=O)N(C)CCC)C(=O)[O-]	ZINC000863420339	613388725	/nfs/dbraw/zinc/38/87/25/613388725.db2.gz	MBHXUTYBMKGWIG-MRVPVSSYSA-N	-1	0	284.765	0.758	20	30		CCEDRM
C=C(Cl)C[C@@H](NS(=O)(=O)[C@H](C)CCOC)C(=O)[O-]	ZINC000863420112	613388869	/nfs/dbraw/zinc/38/88/69/613388869.db2.gz	JWRKCTXZFNZOQE-RKDXNWHRSA-N	-1	0	299.776	0.927	20	30		CCEDRM
C=C(Cl)C[C@H](N)C(=O)[N-]S(=O)(=O)C1CCCC1	ZINC000901033499	613390206	/nfs/dbraw/zinc/39/02/06/613390206.db2.gz	FSVAQNLQNDCEHK-VIFPVBQESA-N	-1	0	280.777	0.845	20	30		CCEDRM
C=C(Cl)C[C@H](NC(=O)Cn1ccnc1)C(=O)[O-]	ZINC000910266110	613390662	/nfs/dbraw/zinc/39/06/62/613390662.db2.gz	JWNYTYKTQHROSX-QMMMGPOBSA-N	-1	0	257.677	0.595	20	30		CCEDRM
C=C(Cl)C[C@H](NS(=O)(=O)[C@@H](C)CCOC)C(=O)[O-]	ZINC000863420110	613390917	/nfs/dbraw/zinc/39/09/17/613390917.db2.gz	JWRKCTXZFNZOQE-IUCAKERBSA-N	-1	0	299.776	0.927	20	30		CCEDRM
C=C1CCC(C(=O)N2CC[C@](O)(C(=O)[O-])C2)CC1	ZINC000910519644	613406744	/nfs/dbraw/zinc/40/67/44/613406744.db2.gz	DAQGHZGESZRNPL-CYBMUJFWSA-N	-1	0	253.298	0.781	20	30		CCEDRM
C=C1CN(C(=O)c2cc(S(=O)(=O)N(C)C)ccc2[O-])C1	ZINC000898700779	613417147	/nfs/dbraw/zinc/41/71/47/613417147.db2.gz	LBHDKKXEDNKFJS-UHFFFAOYSA-N	-1	0	296.348	0.655	20	30		CCEDRM
C=CCn1cc(C(=O)N2C[C@@H]3CCC[C@]3(C(=O)[O-])C2)nn1	ZINC000910420788	613427289	/nfs/dbraw/zinc/42/72/89/613427289.db2.gz	CLFRDCKVAPXQHX-HZMBPMFUSA-N	-1	0	290.323	0.791	20	30		CCEDRM
C=CCn1cc(C(=O)[N-]S(=O)(=O)CCCC)nn1	ZINC000842675089	613429420	/nfs/dbraw/zinc/42/94/20/613429420.db2.gz	AHTUWNYXWJCJJY-UHFFFAOYSA-N	-1	0	272.330	0.324	20	30		CCEDRM
C=CCn1nnnc1S[C@@H]1CN(C(=O)[O-])CCC1=O	ZINC000823522016	613439925	/nfs/dbraw/zinc/43/99/25/613439925.db2.gz	PRLAIUMPCROEFW-MRVPVSSYSA-N	-1	0	283.313	0.273	20	30		CCEDRM
C=C[C@@H](C)NC(=O)C(=O)Nc1cccc(CC(=O)[O-])c1	ZINC000817681089	613442211	/nfs/dbraw/zinc/44/22/11/613442211.db2.gz	PYFWZQAFVOTAOF-SECBINFHSA-N	-1	0	276.292	0.943	20	30		CCEDRM
C=C[C@@H](C)O[N-]C(=O)C(=O)Nc1cnc(N(C)C)nc1	ZINC000846154773	613443320	/nfs/dbraw/zinc/44/33/20/613443320.db2.gz	SKLHHYGDYQOYFK-MRVPVSSYSA-N	-1	0	279.300	0.103	20	30		CCEDRM
C=C[C@@H](C)O[N-]C(=O)C(=O)Nc1ccnc(OCCO)c1	ZINC000850477480	613443366	/nfs/dbraw/zinc/44/33/66/613443366.db2.gz	HEDWVSGITWNDOI-SECBINFHSA-N	-1	0	295.295	0.014	20	30		CCEDRM
C=C[C@@H](C)O[N-]C(=O)CN1CCC[C@H](C(=O)OC)C1=O	ZINC000824033240	613443631	/nfs/dbraw/zinc/44/36/31/613443631.db2.gz	GGHPOHNFOLGALR-ZJUUUORDSA-N	-1	0	284.312	0.020	20	30		CCEDRM
C=CC(C)(C)CC(=O)N1CC(n2cc(C(=O)[O-])nn2)C1	ZINC000909504528	613445126	/nfs/dbraw/zinc/44/51/26/613445126.db2.gz	IWJQENDDKLMXMZ-UHFFFAOYSA-N	-1	0	278.312	0.962	20	30		CCEDRM
C=CC(C)(C)CC(=O)[N-]S(=O)(=O)CCC(=O)OC	ZINC000893002786	613446220	/nfs/dbraw/zinc/44/62/20/613446220.db2.gz	IFDCADITAVQBLJ-UHFFFAOYSA-N	-1	0	277.342	0.598	20	30		CCEDRM
C=C[C@@H](C)O[N-]C(=O)[C@H]1Nc2ccccc2S(=O)(=O)N1	ZINC000846549714	613447148	/nfs/dbraw/zinc/44/71/48/613447148.db2.gz	JWRLVUDVJLOXTK-KCJUWKMLSA-N	-1	0	297.336	0.339	20	30		CCEDRM
C=C[C@@H](C)O[N-]C(=O)[C@@H]1COCCN1CC(F)(F)F	ZINC000846553230	613447301	/nfs/dbraw/zinc/44/73/01/613447301.db2.gz	ZVQMBAVDILMLHN-BDAKNGLRSA-N	-1	0	282.262	0.872	20	30		CCEDRM
C=C[C@@H](CC(=O)NC[C@H](O)C(=O)[O-])c1ccccc1	ZINC000833371237	613447476	/nfs/dbraw/zinc/44/74/76/613447476.db2.gz	MOAJWTFXGBATKR-JQWIXIFHSA-N	-1	0	263.293	0.908	20	30		CCEDRM
C=CC1(S(=O)(=O)[N-]C(=O)/C=C\[C@@H]2CCOC2)CC1	ZINC000870837359	613449878	/nfs/dbraw/zinc/44/98/78/613449878.db2.gz	IZSZWGNQOMEBHM-UMBAGQNISA-N	-1	0	271.338	0.744	20	30		CCEDRM
C=C[C@@H](O)C(=O)N1CC[C@@](C(=O)[O-])(c2ccccc2)C1	ZINC000909858504	613450541	/nfs/dbraw/zinc/45/05/41/613450541.db2.gz	QNIXAYYQFKLIHR-DOMZBBRYSA-N	-1	0	275.304	0.788	20	30		CCEDRM
C=CC1(S(=O)(=O)[N-]C(=O)C[C@H](N)C(F)F)CC1	ZINC000901060003	613450785	/nfs/dbraw/zinc/45/07/85/613450785.db2.gz	WDUSGCBLDROBIU-LURJTMIESA-N	-1	0	268.285	0.134	20	30		CCEDRM
C=CC1(S(=O)(=O)[N-]C(=O)[C@@H](N)C[C@@H](C)CC)CC1	ZINC000901058492	613450804	/nfs/dbraw/zinc/45/08/04/613450804.db2.gz	BKRZPRXUZDCDBQ-UWVGGRQHSA-N	-1	0	274.386	0.915	20	30		CCEDRM
C=CC1(S(=O)(=O)[N-]C(=O)COc2cc(C)on2)CC1	ZINC000870831975	613450863	/nfs/dbraw/zinc/45/08/63/613450863.db2.gz	NRUFPOJBJOYNMF-UHFFFAOYSA-N	-1	0	286.309	0.526	20	30		CCEDRM
C=CC1(S(=O)(=O)[N-]C(=O)[C@@H](OC)[C@H]2CCOC2)CC1	ZINC000870838649	613451193	/nfs/dbraw/zinc/45/11/93/613451193.db2.gz	IXKPTDDBXVKMCY-UWVGGRQHSA-N	-1	0	289.353	0.203	20	30		CCEDRM
C=CC1(S(=O)(=O)[N-]C(=O)[C@@]2(OC)CCSC2)CC1	ZINC000893304747	613451673	/nfs/dbraw/zinc/45/16/73/613451673.db2.gz	HOHUFPYEBFZHCW-LLVKDONJSA-N	-1	0	291.394	0.673	20	30		CCEDRM
C=CC1(S(=O)(=O)[N-]C(=O)c2cc(C)[nH]c(=O)c2)CC1	ZINC000870835814	613451898	/nfs/dbraw/zinc/45/18/98/613451898.db2.gz	SDNMWSLCFKNYNK-UHFFFAOYSA-N	-1	0	282.321	0.874	20	30		CCEDRM
C=CC1(S(=O)(=O)[N-]C(=O)[C@H]2C[C@H]3CC(=O)[C@@H]2C3)CC1	ZINC000870837474	613451959	/nfs/dbraw/zinc/45/19/59/613451959.db2.gz	NKWZEVCLABACDR-AEJSXWLSSA-N	-1	0	283.349	0.766	20	30		CCEDRM
C=CCC(CC=C)C(=O)N[C@H](C)C(=O)N[C@H](C)C(=O)[O-]	ZINC000910750810	613453487	/nfs/dbraw/zinc/45/34/87/613453487.db2.gz	MSJSTXINDDLNEX-NXEZZACHSA-N	-1	0	282.340	0.849	20	30		CCEDRM
C=CCC1(C(=O)N2CC[C@](O)(C(=O)[O-])C2)CCC1	ZINC000910527644	613456134	/nfs/dbraw/zinc/45/61/34/613456134.db2.gz	PQRWHLQAOADNCY-CYBMUJFWSA-N	-1	0	253.298	0.781	20	30		CCEDRM
C=CCC1(C(=O)[O-])CN(S(=O)(=O)CCCCC#N)C1	ZINC000906006845	613457013	/nfs/dbraw/zinc/45/70/13/613457013.db2.gz	KGOYGVFQFRMYIX-UHFFFAOYSA-N	-1	0	286.353	0.973	20	30		CCEDRM
C=CCC1(S(=O)(=O)[N-]C(=O)[C@@H](CC)OC)CC1	ZINC000810988601	613461224	/nfs/dbraw/zinc/46/12/24/613461224.db2.gz	NQAPVWVISJNQHU-SECBINFHSA-N	-1	0	261.343	0.966	20	30		CCEDRM
C=CCC1(S(=O)(=O)[N-]C(=O)[C@H](C)CC(=O)OC)CC1	ZINC000810983317	613461355	/nfs/dbraw/zinc/46/13/55/613461355.db2.gz	PTCZIGRTKOSORD-SECBINFHSA-N	-1	0	289.353	0.740	20	30		CCEDRM
C=CCC1(S(=O)(=O)[N-]C(=O)[C@H](CC)OC)CC1	ZINC000810988602	613461448	/nfs/dbraw/zinc/46/14/48/613461448.db2.gz	NQAPVWVISJNQHU-VIFPVBQESA-N	-1	0	261.343	0.966	20	30		CCEDRM
C=CCCC(=O)[N-]S(=O)(=O)C[C@@H]1CCCOC1	ZINC000803004811	613462676	/nfs/dbraw/zinc/46/26/76/613462676.db2.gz	KXFNPYQDDGLICD-SNVBAGLBSA-N	-1	0	261.343	0.825	20	30		CCEDRM
C=CCCC(=O)[C@@H]1CCCN1C(=O)CCc1nnn[n-]1	ZINC000908669475	613463079	/nfs/dbraw/zinc/46/30/79/613463079.db2.gz	QMDDSKVXJSHUPX-JTQLQIEISA-N	-1	0	277.328	0.659	20	30		CCEDRM
C=CCCC(=O)[N-]S(=O)(=O)c1cnn2c1OCCC2	ZINC000816206720	613463097	/nfs/dbraw/zinc/46/30/97/613463097.db2.gz	YYSPGMRQMLAAJG-UHFFFAOYSA-N	-1	0	285.325	0.437	20	30		CCEDRM
C=C[C@@H]1OCC[C@H]1C(=O)[N-]S(=O)(=O)C1(Cl)CC1	ZINC000893233210	613465591	/nfs/dbraw/zinc/46/55/91/613465591.db2.gz	IXSABJNZQDSFSM-SFYZADRCSA-N	-1	0	279.745	0.752	20	30		CCEDRM
C=CCCCCCNC(=O)Cn1[n-]cc2c(=O)ncnc1-2	ZINC000847183854	613465987	/nfs/dbraw/zinc/46/59/87/613465987.db2.gz	BKIOWOOJYQWSNH-UHFFFAOYSA-N	-1	0	289.339	0.934	20	30		CCEDRM
C=CCCCN(C)C(=O)[C@H]1C[C@H](O)CN1C(=O)[O-]	ZINC000823496166	613466549	/nfs/dbraw/zinc/46/65/49/613466549.db2.gz	DSMXRQJRTSZOCO-VHSXEESVSA-N	-1	0	256.302	0.524	20	30		CCEDRM
C=CCCCN(CC)C(=O)N=c1nn[n-]n1CC	ZINC000931678716	613466818	/nfs/dbraw/zinc/46/68/18/613466818.db2.gz	CUQLAVKKOURTPE-UHFFFAOYSA-N	-1	0	252.322	0.935	20	30		CCEDRM
C=CCCCNC(=O)CCCn1c(=O)[n-][nH]c1=O	ZINC000907853700	613467713	/nfs/dbraw/zinc/46/77/13/613467713.db2.gz	YWBLMXJBHBPONB-UHFFFAOYSA-N	-1	0	254.290	0.552	20	30		CCEDRM
C=CCCC[C@@H](NC(=O)CCC(=O)[O-])C(=O)OC	ZINC000902835282	613470555	/nfs/dbraw/zinc/47/05/55/613470555.db2.gz	CVSVBNKOSGPOLT-SECBINFHSA-N	-1	0	257.286	0.865	20	30		CCEDRM
C=CCCC[C@@H](NC(=O)[C@@H]1CC(=O)N(C2CC2)C1)C(=O)[O-]	ZINC000910914845	613471053	/nfs/dbraw/zinc/47/10/53/613471053.db2.gz	LJNPMJRKJRGMFQ-ZYHUDNBSSA-N	-1	0	294.351	0.923	20	30		CCEDRM
C=CCCC[C@H](NC(=O)c1cnn(C)n1)C(=O)[O-]	ZINC000910914819	613474675	/nfs/dbraw/zinc/47/46/75/613474675.db2.gz	KUNSHYOLSHIXTM-QMMMGPOBSA-N	-1	0	252.274	0.354	20	30		CCEDRM
C=C[C@H](C)NC(=O)C1(OC)CCN(C(=O)[O-])CC1	ZINC000823485667	613482511	/nfs/dbraw/zinc/48/25/11/613482511.db2.gz	HYFZRELIMCBFGO-VIFPVBQESA-N	-1	0	256.302	0.836	20	30		CCEDRM
C=C[C@H](C)O[N-]C(=O)C(=O)Nc1cnn(C)c1C1CC1	ZINC000846154405	613483669	/nfs/dbraw/zinc/48/36/69/613483669.db2.gz	QLXFPLLTVYGWAT-QMMMGPOBSA-N	-1	0	278.312	0.858	20	30		CCEDRM
C=C[C@H](CC(=O)NC[C@H](O)C(=O)[O-])c1ccccc1	ZINC000833371239	613488499	/nfs/dbraw/zinc/48/84/99/613488499.db2.gz	MOAJWTFXGBATKR-PWSUYJOCSA-N	-1	0	263.293	0.908	20	30		CCEDRM
C=C[C@H](O)C(=O)N[C@H](C)c1ncc(C(=O)[O-])s1	ZINC000910151355	613497442	/nfs/dbraw/zinc/49/74/42/613497442.db2.gz	APULDLMJJTZKEZ-RITPCOANSA-N	-1	0	256.283	0.565	20	30		CCEDRM
C=C[C@H]1CCCCN1C(=O)N=c1nn[n-]n1CC	ZINC000888328568	613500955	/nfs/dbraw/zinc/50/09/55/613500955.db2.gz	RRKKDOLQAOTXGT-VIFPVBQESA-N	-1	0	250.306	0.687	20	30		CCEDRM
C=C[C@](C)(O)CC(=O)N1CCSC[C@H]1c1nnn[n-]1	ZINC000907479110	613508838	/nfs/dbraw/zinc/50/88/38/613508838.db2.gz	JJRGBSAUUQHSTN-KWQFWETISA-N	-1	0	283.357	0.143	20	30		CCEDRM
CC#CCCNC(=O)N[C@@H](CC1CCOCC1)C(=O)[O-]	ZINC000909031785	613522283	/nfs/dbraw/zinc/52/22/83/613522283.db2.gz	MUWURTIMRUGDMN-LBPRGKRZSA-N	-1	0	282.340	0.969	20	30		CCEDRM
C=CCCOCC(=O)N1CCN(C(=O)[O-])C[C@H]1C#N	ZINC000823496544	613571611	/nfs/dbraw/zinc/57/16/11/613571611.db2.gz	LFXKJFTUNGMEFK-SNVBAGLBSA-N	-1	0	267.285	0.293	20	30		CCEDRM
C=CCCOCC(=O)N1CCN(C(=O)[O-])C[C@@H]1C#N	ZINC000823496543	613571621	/nfs/dbraw/zinc/57/16/21/613571621.db2.gz	LFXKJFTUNGMEFK-JTQLQIEISA-N	-1	0	267.285	0.293	20	30		CCEDRM
C=CCCOCC(=O)[N-]S(=O)(=O)C[C@@H]1CCCOC1	ZINC000802999531	613572732	/nfs/dbraw/zinc/57/27/32/613572732.db2.gz	CBRBSYAIFHBDBE-LLVKDONJSA-N	-1	0	291.369	0.452	20	30		CCEDRM
C=CCCOCC(=O)N[C@]1(CC(=O)[O-])CCCOC1	ZINC000823350057	613573276	/nfs/dbraw/zinc/57/32/76/613573276.db2.gz	ZUNUWQCAJIIGGI-ZDUSSCGKSA-N	-1	0	271.313	0.719	20	30		CCEDRM
C=CCCO[N-]C(=O)CN(C)S(=O)(=O)c1cccnc1	ZINC000856029915	613576177	/nfs/dbraw/zinc/57/61/77/613576177.db2.gz	IMJHUPOCDIABNO-UHFFFAOYSA-N	-1	0	299.352	0.326	20	30		CCEDRM
C=CCCO[N-]C(=O)Cn1cc([N+](=O)[O-])ccc1=O	ZINC000856031547	613576820	/nfs/dbraw/zinc/57/68/20/613576820.db2.gz	UGOJYGDVIQWYAQ-UHFFFAOYSA-N	-1	0	267.241	0.380	20	30		CCEDRM
C=CCCO[N-]C(=O)[C@H](OC)C(=O)OC(C)(C)C	ZINC000869282229	613577274	/nfs/dbraw/zinc/57/72/74/613577274.db2.gz	CTRHMCAZOAJEQC-VIFPVBQESA-N	-1	0	259.302	0.967	20	30		CCEDRM
C=CCCO[C@@H](C)C(=O)NCCCc1c[nH][nH]c1=O	ZINC000898731122	613578051	/nfs/dbraw/zinc/57/80/51/613578051.db2.gz	CINRLYMZBPFIAQ-WDEREUQCSA-N	-1	0	267.329	0.596	20	30		CCEDRM
C=CCCO[C@@H](C)C(=O)[N-]S(=O)(=O)N(C)CCC	ZINC000153801615	613578067	/nfs/dbraw/zinc/57/80/67/613578067.db2.gz	OPHPIMCOYOMKGL-JTQLQIEISA-N	-1	0	278.374	0.670	20	30		CCEDRM
C=CCC[C@@H](NC(=O)c1cnn(CC)n1)C(=O)[O-]	ZINC000909716835	613585945	/nfs/dbraw/zinc/58/59/45/613585945.db2.gz	VWOVNRIUIUADBU-MRVPVSSYSA-N	-1	0	252.274	0.447	20	30		CCEDRM
C=CCC[C@H](NC(=O)[C@H]1C[C@]12CCOC2)C(=O)[O-]	ZINC000909715587	613590500	/nfs/dbraw/zinc/59/05/00/613590500.db2.gz	NAXIZYNPAMUPOF-NRUUGDAUSA-N	-1	0	253.298	0.949	20	30		CCEDRM
C=CCN(C(=O)C(=O)NC[C@H](C(=O)[O-])C(C)C)C(C)C	ZINC000848612576	613603234	/nfs/dbraw/zinc/60/32/34/613603234.db2.gz	RCHLGIONMSQTNW-NSHDSACASA-N	-1	0	284.356	0.882	20	30		CCEDRM
CC#CCS(=O)(=O)[N-]C(=O)c1c(C)noc1C	ZINC000798203448	613647390	/nfs/dbraw/zinc/64/73/90/613647390.db2.gz	ZRDYGPPDGMBPNL-UHFFFAOYSA-N	-1	0	256.283	0.374	20	30		CCEDRM
C=CCN(CC(=O)[O-])C(=O)NCCN1CCOCC1(C)C	ZINC000908936223	613642360	/nfs/dbraw/zinc/64/23/60/613642360.db2.gz	HOPFBJOGABWZSI-UHFFFAOYSA-N	-1	0	299.371	0.379	20	30		CCEDRM
C=CCN(CC(=O)[O-])C(=O)NCc1cccc(CO)c1	ZINC000908942026	613642764	/nfs/dbraw/zinc/64/27/64/613642764.db2.gz	DSAMXCZQMVMASZ-UHFFFAOYSA-N	-1	0	278.308	0.961	20	30		CCEDRM
C=CCN(CC(=O)[O-])C(=O)[C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@H]12	ZINC000907635941	613643267	/nfs/dbraw/zinc/64/32/67/613643267.db2.gz	VJZBTFUNOOALSQ-ULHKAFAUSA-N	-1	0	251.282	0.509	20	30		CCEDRM
C=CCN(CC(=O)OCC)C(=O)c1cc(C(=O)[O-])no1	ZINC000833375404	613645185	/nfs/dbraw/zinc/64/51/85/613645185.db2.gz	VUGMTVDYJNWAGB-UHFFFAOYSA-N	-1	0	282.252	0.564	20	30		CCEDRM
C=CCN(CC(=O)OCC)C(=O)c1cnc(C(=O)[O-])cn1	ZINC000833375362	613645197	/nfs/dbraw/zinc/64/51/97/613645197.db2.gz	SQVHVTPCCSGNQP-UHFFFAOYSA-N	-1	0	293.279	0.366	20	30		CCEDRM
C=CCN(CC(=O)OCC)S(=O)(=O)C[C@H](C)C(=O)[O-]	ZINC000825681545	613645700	/nfs/dbraw/zinc/64/57/00/613645700.db2.gz	AQQJDFSQIKWSJT-VIFPVBQESA-N	-1	0	293.341	0.088	20	30		CCEDRM
CC#CCS(=O)(=O)[N-]C(=O)COCc1ccccn1	ZINC000810771600	613645886	/nfs/dbraw/zinc/64/58/86/613645886.db2.gz	VQWFULWXOUYSSB-UHFFFAOYSA-N	-1	0	282.321	0.068	20	30		CCEDRM
CC#CCS(=O)(=O)[N-]C(=O)Cc1ccccc1F	ZINC000791110987	613646302	/nfs/dbraw/zinc/64/63/02/613646302.db2.gz	JSJAMGJXFROWRP-UHFFFAOYSA-N	-1	0	269.297	0.838	20	30		CCEDRM
CC#CCS(=O)(=O)[N-]C(=O)[C@@H](OC)c1ccc(F)cc1	ZINC000860720587	613646782	/nfs/dbraw/zinc/64/67/82/613646782.db2.gz	HCEZBBSBQMLDIT-LBPRGKRZSA-N	-1	0	299.323	0.983	20	30		CCEDRM
CC#CCS(=O)(=O)[N-]C(=O)[C@H]1CCCOCC1	ZINC000810776024	613647055	/nfs/dbraw/zinc/64/70/55/613647055.db2.gz	FBNRUDBECSADCH-JTQLQIEISA-N	-1	0	259.327	0.272	20	30		CCEDRM
CC#CCS(=O)(=O)[N-]C(=O)c1cc(C)nn1CC	ZINC000810773895	613647600	/nfs/dbraw/zinc/64/76/00/613647600.db2.gz	IKMIOADDIKJWLS-UHFFFAOYSA-N	-1	0	269.326	0.294	20	30		CCEDRM
CC#CCS(=O)(=O)[N-]C(=O)c1conc1C(C)C	ZINC000860721120	613648003	/nfs/dbraw/zinc/64/80/03/613648003.db2.gz	ZERAWJHWHKZVDT-UHFFFAOYSA-N	-1	0	270.310	0.881	20	30		CCEDRM
CC#CCS(=O)(=O)[N-]C(=O)c1cnn(CCOCC)c1	ZINC000857022542	613648010	/nfs/dbraw/zinc/64/80/10/613648010.db2.gz	DDSUKWTZGLTMEC-UHFFFAOYSA-N	-1	0	299.352	0.003	20	30		CCEDRM
CC#CC[C@@H](NC(=O)OC[C@@H]1CCCO1)C(=O)[O-]	ZINC000926462836	613650401	/nfs/dbraw/zinc/65/04/01/613650401.db2.gz	DGYILNFLZNAKJO-VHSXEESVSA-N	-1	0	255.270	0.758	20	30		CCEDRM
Cc1ccc(N=NC(C)c2cn(CC(=O)[O-])nn2)nn1	ZINC000825809062	613657039	/nfs/dbraw/zinc/65/70/39/613657039.db2.gz	LNRQAGCVPLJNRO-UHFFFAOYSA-N	-1	0	275.272	0.297	20	30		CCEDRM
C=CCN1CC[C@H](OC(=O)c2cc(=O)[n-]c(OC)n2)C1=O	ZINC000798652328	613803930	/nfs/dbraw/zinc/80/39/30/613803930.db2.gz	BECCVPHHQSXLCD-VIFPVBQESA-N	-1	0	293.279	0.135	20	30		CCEDRM
C=CCNC(=O)N1C[C@H](C(=O)[O-])C2(CC(C(=O)OC)C2)C1	ZINC000887268212	613849404	/nfs/dbraw/zinc/84/94/04/613849404.db2.gz	FQXJMCMZFXUICZ-OPASDULOSA-N	-1	0	296.323	0.468	20	30		CCEDRM
C=CCNC(=O)C(C#N)=C([O-])c1nnc2ccccc2n1	ZINC000810532105	613855006	/nfs/dbraw/zinc/85/50/06/613855006.db2.gz	RJHATQIRRKCHAE-SECBINFHSA-N	-1	0	281.275	0.649	20	30		CCEDRM
C=CCNc1ncc(C(=O)NCC(=O)[N-]OC)s1	ZINC000832741484	613876966	/nfs/dbraw/zinc/87/69/66/613876966.db2.gz	QJUPRNAGBSFIMD-UHFFFAOYSA-N	-1	0	270.314	0.148	20	30		CCEDRM
C=CCNc1nnc(SCC(=O)NCC(=O)[O-])s1	ZINC000819720336	613877153	/nfs/dbraw/zinc/87/71/53/613877153.db2.gz	VZTQPIZEECYVOK-UHFFFAOYSA-N	-1	0	288.354	0.429	20	30		CCEDRM
C=CCOCC(=O)N1CC[C@@H](OC)C[C@H]1C(=O)[O-]	ZINC000833375965	613879159	/nfs/dbraw/zinc/87/91/59/613879159.db2.gz	PMHUDTRSVFLMFM-ZJUUUORDSA-N	-1	0	257.286	0.280	20	30		CCEDRM
C=CCOCC(=O)NC[C@@H](Oc1ccc(F)cc1)C(=O)[O-]	ZINC000833376151	613879337	/nfs/dbraw/zinc/87/93/37/613879337.db2.gz	VBINHMGBAZWVCH-GFCCVEGCSA-N	-1	0	297.282	0.977	20	30		CCEDRM
C=CCOCCCC(=O)N1CCC[C@@H](O)[C@H]1C(=O)[O-]	ZINC000911637958	613879695	/nfs/dbraw/zinc/87/96/95/613879695.db2.gz	KOGUZRSVTQHUPQ-PWSUYJOCSA-N	-1	0	271.313	0.406	20	30		CCEDRM
C=CCOCCCC(=O)N1CCC[C@H](O)[C@@H]1C(=O)[O-]	ZINC000911637956	613879705	/nfs/dbraw/zinc/87/97/05/613879705.db2.gz	KOGUZRSVTQHUPQ-CMPLNLGQSA-N	-1	0	271.313	0.406	20	30		CCEDRM
C=CCOCCCC(=O)[N-]S(=O)(=O)c1cccn1C	ZINC000839067936	613879778	/nfs/dbraw/zinc/87/97/78/613879778.db2.gz	BQIBNJNNNYIPFK-UHFFFAOYSA-N	-1	0	286.353	0.813	20	30		CCEDRM
C=CCOCCNC(=O)N[C@H](C[C@H]1CCCO1)C(=O)[O-]	ZINC000905539637	613880970	/nfs/dbraw/zinc/88/09/70/613880970.db2.gz	SPNLOQPEBDRDLH-GHMZBOCLSA-N	-1	0	286.328	0.511	20	30		CCEDRM
C=CCOC[C@@H](NC(=O)/C=C(\C)COC)C(=O)[O-]	ZINC000846118915	613881537	/nfs/dbraw/zinc/88/15/37/613881537.db2.gz	DFGFLBDKYMGPSY-OLKPEBQYSA-N	-1	0	257.286	0.351	20	30		CCEDRM
C=CCOC[C@@H](NC(=O)[C@H](CC)SC)C(=O)[O-]	ZINC000909765182	613881781	/nfs/dbraw/zinc/88/17/81/613881781.db2.gz	ACXOWLLNOXIPLF-BDAKNGLRSA-N	-1	0	261.343	0.900	20	30		CCEDRM
C=CCOC[C@@H](NC(=O)[C@@H]1CCO[C@H]1CC)C(=O)[O-]	ZINC000909767862	613881841	/nfs/dbraw/zinc/88/18/41/613881841.db2.gz	RGZNEXSPESYYRJ-MXWKQRLJSA-N	-1	0	271.313	0.574	20	30		CCEDRM
C=CCOC[C@@H](NC(=O)c1cn(CC)cn1)C(=O)[O-]	ZINC000909769181	613881887	/nfs/dbraw/zinc/88/18/87/613881887.db2.gz	BNSLAEGWPZSOMG-SNVBAGLBSA-N	-1	0	267.285	0.289	20	30		CCEDRM
C=CCOC[C@H](NC(=O)/C=C\c1cn(C)cn1)C(=O)[O-]	ZINC000923078138	613882195	/nfs/dbraw/zinc/88/21/95/613882195.db2.gz	DTLXIEUDOAETIZ-WYGGZMRJSA-N	-1	0	279.296	0.205	20	30		CCEDRM
C=CCOC[C@H](NC(=O)/C=C/[C@H]1CCOC1)C(=O)[O-]	ZINC000909772951	613882246	/nfs/dbraw/zinc/88/22/46/613882246.db2.gz	YUGSNGCADHBKTL-SEUFLZDSSA-N	-1	0	269.297	0.351	20	30		CCEDRM
C=CCOC[C@H](NC(=O)C1(OC)CCCC1)C(=O)[O-]	ZINC000909767585	613882263	/nfs/dbraw/zinc/88/22/63/613882263.db2.gz	PUIHLVGXBFNQAW-JTQLQIEISA-N	-1	0	271.313	0.718	20	30		CCEDRM
C=CCOC[C@H](NC(=O)[C@H]1CCO[C@@H](CC)C1)C(=O)[O-]	ZINC000909767831	613882519	/nfs/dbraw/zinc/88/25/19/613882519.db2.gz	QVYSXKFWLGVCNT-SRVKXCTJSA-N	-1	0	285.340	0.964	20	30		CCEDRM
C=CCOC[C@H](NC(=O)[C@H](C)[C@H](C)COC)C(=O)[O-]	ZINC000909765629	613882573	/nfs/dbraw/zinc/88/25/73/613882573.db2.gz	COMYWYKUOWJGTD-MXWKQRLJSA-N	-1	0	273.329	0.677	20	30		CCEDRM
C=CCOC[C@H](NC(=O)c1cnc(C)n1C)C(=O)[O-]	ZINC000909771570	613882652	/nfs/dbraw/zinc/88/26/52/613882652.db2.gz	OEYSECOHWGAJDQ-VIFPVBQESA-N	-1	0	267.285	0.114	20	30		CCEDRM
C=CCOC[C@H](NC(=O)c1ccnn1C1CCC1)C(=O)[O-]	ZINC000907669770	613882685	/nfs/dbraw/zinc/88/26/85/613882685.db2.gz	QYOFHKYXGBDUQG-NSHDSACASA-N	-1	0	293.323	0.994	20	30		CCEDRM
C=CCO[N-]C(=O)C(=O)Nc1ccnn1CC1CCC1	ZINC000873907657	613883046	/nfs/dbraw/zinc/88/30/46/613883046.db2.gz	LETWRYHZCIFHSY-UHFFFAOYSA-N	-1	0	278.312	0.856	20	30		CCEDRM
C=CCO[N-]C(=O)C(=O)Nc1ccnn1C(C)(C)C	ZINC000850465491	613883069	/nfs/dbraw/zinc/88/30/69/613883069.db2.gz	GIFFLTFKWMVWGV-UHFFFAOYSA-N	-1	0	266.301	0.810	20	30		CCEDRM
C=CCO[N-]C(=O)C(=O)Nc1ccc(OCC)c(C)n1	ZINC000850465897	613883075	/nfs/dbraw/zinc/88/30/75/613883075.db2.gz	KOUGISYOQIMKBE-UHFFFAOYSA-N	-1	0	279.296	0.961	20	30		CCEDRM
C=CCO[N-]C(=O)[C@H](O)Cc1cccc(OC)c1	ZINC000837047430	613884508	/nfs/dbraw/zinc/88/45/08/613884508.db2.gz	AJEDUYRRQLRKLH-GFCCVEGCSA-N	-1	0	251.282	0.832	20	30		CCEDRM
C=CCOc1ccc(C(=O)Nn2c(=O)[n-][nH]c2=O)cc1	ZINC000816731366	613884760	/nfs/dbraw/zinc/88/47/60/613884760.db2.gz	OHBXVNIMXQVJSE-UHFFFAOYSA-N	-1	0	276.252	0.638	20	30		CCEDRM
C=CCS(=O)(=O)[N-]C(=O)C[C@H](C)[C@@H]1CCCO1	ZINC000850912511	613886149	/nfs/dbraw/zinc/88/61/49/613886149.db2.gz	CNQHLNJKSOFMHY-UWVGGRQHSA-N	-1	0	261.343	0.824	20	30		CCEDRM
C=CCS(=O)(=O)[N-]C(=O)[C@H](C)Oc1ccccn1	ZINC000835253459	613886253	/nfs/dbraw/zinc/88/62/53/613886253.db2.gz	LXVNAGVDIYKPKA-VIFPVBQESA-N	-1	0	270.310	0.481	20	30		CCEDRM
C=CCS(=O)(=O)[N-]C(=O)c1ccc(CNC(C)=O)cc1	ZINC000132776302	613886368	/nfs/dbraw/zinc/88/63/68/613886368.db2.gz	ADSSQLKUQBGXAV-UHFFFAOYSA-N	-1	0	296.348	0.568	20	30		CCEDRM
CC(C)NC(=O)C(C#N)=C([O-])c1cnc(N(C)C)cn1	ZINC000847624024	613930753	/nfs/dbraw/zinc/93/07/53/613930753.db2.gz	JZSXGQWHVHTDMX-VIFPVBQESA-N	-1	0	275.312	0.390	20	30		CCEDRM
CC(C)S(=O)(=O)NN=Cc1cccn1[C@@H](C)C(=O)[O-]	ZINC000833408042	614069395	/nfs/dbraw/zinc/06/93/95/614069395.db2.gz	VPNKNBGWIQMJNG-VIFPVBQESA-N	-1	0	287.341	0.795	20	30		CCEDRM
CC(C)[C@@H](C#N)N1CCN(C(=O)C[C@@H](C)NC(=O)[O-])CC1	ZINC000824592093	614071639	/nfs/dbraw/zinc/07/16/39/614071639.db2.gz	RICHRCHGMXFZKJ-VXGBXAGGSA-N	-1	0	296.371	0.725	20	30		CCEDRM
CC(C)(CCNC(=O)[C@]1(C#N)CCCOC1)C(=O)[O-]	ZINC000923078044	614085469	/nfs/dbraw/zinc/08/54/69/614085469.db2.gz	CNYPXIFGZDDKDO-ZDUSSCGKSA-N	-1	0	268.313	0.924	20	30		CCEDRM
CC(C)[C@@](C)(O)CNC(=O)[C@@](C)(C#N)CC(=O)[O-]	ZINC000819955373	614183540	/nfs/dbraw/zinc/18/35/40/614183540.db2.gz	WXZQMHGKSYGNCW-NEPJUHHUSA-N	-1	0	256.302	0.514	20	30		CCEDRM
CC(C)[C@H](C#N)N1CCN(C(=O)C[C@@H](C)NC(=O)[O-])CC1	ZINC000824592086	614186618	/nfs/dbraw/zinc/18/66/18/614186618.db2.gz	RICHRCHGMXFZKJ-NEPJUHHUSA-N	-1	0	296.371	0.725	20	30		CCEDRM
CC(C)C[C@H](CO)NC(=O)[C@](C)(C#N)CC(=O)[O-]	ZINC000819967327	614216985	/nfs/dbraw/zinc/21/69/85/614216985.db2.gz	ROAVSCMORMNPPA-SKDRFNHKSA-N	-1	0	256.302	0.514	20	30		CCEDRM
CC(=O)c1csc(C(=O)[N-]S(=O)(=O)CCC#N)c1	ZINC000821584268	614269009	/nfs/dbraw/zinc/26/90/09/614269009.db2.gz	WTNPPVAEDYKVHH-UHFFFAOYSA-N	-1	0	286.334	0.924	20	30		CCEDRM
CC(C)[C@](C)(C#N)NC(=O)CN1CC[C@@](F)(C(=O)[O-])C1	ZINC000826676098	614285832	/nfs/dbraw/zinc/28/58/32/614285832.db2.gz	CKMKEKVIKJZPEK-STQMWFEESA-N	-1	0	285.319	0.539	20	30		CCEDRM
CC(C)(C)C(=O)Cn1cnc(-c2nnn[n-]2)c1C#N	ZINC000824064798	614320539	/nfs/dbraw/zinc/32/05/39/614320539.db2.gz	MXAVUGSPBOFUJO-UHFFFAOYSA-N	-1	0	259.273	0.550	20	30		CCEDRM
CC(C)c1nc(Cn2cnc(-c3nnn[n-]3)c2C#N)no1	ZINC000824359340	614321998	/nfs/dbraw/zinc/32/19/98/614321998.db2.gz	VZNFXTAQMJQPNG-UHFFFAOYSA-N	-1	0	285.271	0.490	20	30		CCEDRM
CC(C)n1cnc(S(=O)(=O)[N-]C(=O)[C@@H](C)CC#N)c1	ZINC000850909980	614367827	/nfs/dbraw/zinc/36/78/27/614367827.db2.gz	ZDTLRPNEQQUCLA-VIFPVBQESA-N	-1	0	284.341	0.819	20	30		CCEDRM
CC(CC1(C(=O)[O-])CCC1)=NN1CC(=O)N(C)C1=O	ZINC000814891126	614378325	/nfs/dbraw/zinc/37/83/25/614378325.db2.gz	AUVQBRXIJUOQFY-UHFFFAOYSA-N	-1	0	267.285	0.901	20	30		CCEDRM
CC(CC1(C(=O)[O-])CCC1)=NNCCS(C)(=O)=O	ZINC000814848534	614378448	/nfs/dbraw/zinc/37/84/48/614378448.db2.gz	WLRIBWBFMJSOAD-UHFFFAOYSA-N	-1	0	276.358	0.642	20	30		CCEDRM
CC1CCN(C(=O)CN2CCN(C(=O)[O-])C[C@H]2C#N)CC1	ZINC000825937319	614429277	/nfs/dbraw/zinc/42/92/77/614429277.db2.gz	ISHGCXGXJGSOBY-GFCCVEGCSA-N	-1	0	294.355	0.433	20	30		CCEDRM
CCC(C#N)(CC)C(=O)N[C@@H](CCOC)C(=O)[O-]	ZINC000923077860	614470746	/nfs/dbraw/zinc/47/07/46/614470746.db2.gz	ABWBVLOQKDFODI-VIFPVBQESA-N	-1	0	256.302	0.922	20	30		CCEDRM
CCCc1nc(C([O-])=C(C#N)C(=O)NCCOC)co1	ZINC000802041251	614490056	/nfs/dbraw/zinc/49/00/56/614490056.db2.gz	YGIPDSWXEMNHBO-VIFPVBQESA-N	-1	0	279.296	0.712	20	30		CCEDRM
CCC(CC)S(=O)(=O)[N-]C(=O)[C@H](C)n1cnc(C#N)n1	ZINC000798829338	614576361	/nfs/dbraw/zinc/57/63/61/614576361.db2.gz	GURZHRFYCVAZEK-QMMMGPOBSA-N	-1	0	299.356	0.345	20	30		CCEDRM
CCCCCCNC(=O)C(C#N)=C([O-])c1ncn(C)n1	ZINC000810529145	614912799	/nfs/dbraw/zinc/91/27/99/614912799.db2.gz	ZYCJWAAHVNEYFW-JTQLQIEISA-N	-1	0	277.328	0.834	20	30		CCEDRM
CCCCCNC(=O)C(C#N)=C([O-])c1cn(C)nn1	ZINC000808978109	614923894	/nfs/dbraw/zinc/92/38/94/614923894.db2.gz	GUYYNYYDRGRYQA-SECBINFHSA-N	-1	0	263.301	0.444	20	30		CCEDRM
C[C@@H](NC(=O)[O-])[C@@H]1CN(C(=O)C2(C#N)CC(C)C2)CCO1	ZINC000825783294	615010982	/nfs/dbraw/zinc/01/09/82/615010982.db2.gz	FXIOWGGBEJIKSS-PYUIQPRZSA-N	-1	0	295.339	0.810	20	30		CCEDRM
CCN(CCC#N)[C@@H](C)C(=O)N1CCC(C(=O)[O-])CC1	ZINC000829692234	615024216	/nfs/dbraw/zinc/02/42/16/615024216.db2.gz	CLPSQQGSAWFKPL-NSHDSACASA-N	-1	0	281.356	0.934	20	30		CCEDRM
CCS(=O)(=O)[N-]C(=O)c1ccc(C)c(C#N)c1	ZINC000799609729	615340678	/nfs/dbraw/zinc/34/06/78/615340678.db2.gz	MTVORPAYNOHQHD-UHFFFAOYSA-N	-1	0	252.295	0.946	20	30		CCEDRM
CCO[N-]C(=O)CNC(=O)C1(C#N)CC2(CC2)C1	ZINC000869148576	615356713	/nfs/dbraw/zinc/35/67/13/615356713.db2.gz	IKZMOFOUFSIIFL-UHFFFAOYSA-N	-1	0	251.286	0.254	20	30		CCEDRM
CCO[N-]C(=O)CNC(=O)CSc1ccc(C#N)cc1	ZINC000846495121	615357998	/nfs/dbraw/zinc/35/79/98/615357998.db2.gz	CLSWBSQLGGSXMY-UHFFFAOYSA-N	-1	0	293.348	0.834	20	30		CCEDRM
CC[C@@H](C#N)NS(=O)(=O)c1ccc(C(=O)[O-])nc1	ZINC000833636414	615366148	/nfs/dbraw/zinc/36/61/48/615366148.db2.gz	QPZDHKMDACWBSN-ZETCQYMHSA-N	-1	0	269.282	0.360	20	30		CCEDRM
CC[C@@H](C#N)NS(=O)(=O)c1ccc(C(=O)[O-])cc1	ZINC000833635951	615366364	/nfs/dbraw/zinc/36/63/64/615366364.db2.gz	CLWJMNJNLKICLR-VIFPVBQESA-N	-1	0	268.294	0.965	20	30		CCEDRM
CC[C@@H](NN=C1CCCc2c1ccc(=O)n2C)C(=O)[O-]	ZINC000814937764	615536294	/nfs/dbraw/zinc/53/62/94/615536294.db2.gz	PANJPVSWFQNOIZ-SNVBAGLBSA-N	-1	0	277.324	0.879	20	30		CCEDRM
CC[C@@H](NN=Cc1c2c(nn1C)CCOC2)C(=O)[O-]	ZINC000901245250	615536472	/nfs/dbraw/zinc/53/64/72/615536472.db2.gz	ASOGEVUBCZCFDX-SECBINFHSA-N	-1	0	266.301	0.280	20	30		CCEDRM
CC[C@@H](SC)C(=O)Nc1nc(C#N)c(-c2nn[nH]n2)[n-]1	ZINC000825159796	615548527	/nfs/dbraw/zinc/54/85/27/615548527.db2.gz	UFSZYAWEODXITM-ZCFIWIBFSA-N	-1	0	292.328	0.542	20	30		CCEDRM
CC[C@H](C)[C@@H](OC)C(=O)[N-]S(=O)(=O)CCC#N	ZINC000835409425	615687971	/nfs/dbraw/zinc/68/79/71/615687971.db2.gz	WWOYZBJGJOHLNL-DTWKUNHWSA-N	-1	0	262.331	0.407	20	30		CCEDRM
CCn1ncn(N=Cc2ccc([O-])c([N+](=O)[O-])c2)c1=O	ZINC000814234519	615729176	/nfs/dbraw/zinc/72/91/76/615729176.db2.gz	FBUVVIOYPCGTOB-UHFFFAOYSA-N	-1	0	277.240	0.561	20	30		CCEDRM
CCc1nn(C)c(CC)c1C=Nn1c(=O)[n-][nH]c1=O	ZINC000814234284	615791871	/nfs/dbraw/zinc/79/18/71/615791871.db2.gz	VHQWISXMRLCJPK-UHFFFAOYSA-N	-1	0	264.289	0.430	20	30		CCEDRM
CC[C@H](NC(=O)[O-])C(=O)O[C@H](C)C(=O)N(C)CCC#N	ZINC000827531199	615806034	/nfs/dbraw/zinc/80/60/34/615806034.db2.gz	CUOJMFCDPXRIGG-BDAKNGLRSA-N	-1	0	285.300	0.336	20	30		CCEDRM
CCc1nnc(C)cc1C(=O)N[C@H]1CCN(O)C1=O	ZINC000820149370	615808561	/nfs/dbraw/zinc/80/85/61/615808561.db2.gz	OPULSBYOEMFSIO-JTQLQIEISA-N	-1	0	264.285	0.067	20	30		CCEDRM
CC[C@H](NN=C1CCCc2c1cnn2CCO)C(=O)[O-]	ZINC000884470993	615819883	/nfs/dbraw/zinc/81/98/83/615819883.db2.gz	IEMOGPTXLVGXET-JTQLQIEISA-N	-1	0	280.328	0.369	20	30		CCEDRM
CN(C(=O)[O-])[C@H]1CCN(C(=O)c2ccc(C#N)nc2)C1	ZINC000827871985	615845329	/nfs/dbraw/zinc/84/53/29/615845329.db2.gz	VHRWYARDJMSWPX-NSHDSACASA-N	-1	0	274.280	0.778	20	30		CCEDRM
CCn1cc(NC(=O)[C@@](C)(C#N)CC(=O)[O-])cn1	ZINC000820511430	616006581	/nfs/dbraw/zinc/00/65/81/616006581.db2.gz	LCLHOOPCZDYBSX-LLVKDONJSA-N	-1	0	250.258	0.846	20	30		CCEDRM
CN(Cc1ncc[nH]1)C(=O)[C@@](C)(C#N)CC(=O)[O-]	ZINC000820607449	616105518	/nfs/dbraw/zinc/10/55/18/616105518.db2.gz	CJHHYGOOEYFIHN-LLVKDONJSA-N	-1	0	250.258	0.373	20	30		CCEDRM
COC(=O)[C@H](C)Oc1ccccc1C=NNCC(=O)[O-]	ZINC000901247638	616586322	/nfs/dbraw/zinc/58/63/22/616586322.db2.gz	IWWMHQUCAOPIIZ-VIFPVBQESA-N	-1	0	280.280	0.635	20	30		CCEDRM
CO[C@@H]1CCC[C@@H]1CNC(=O)[C@](C)(C#N)CC(=O)[O-]	ZINC000820702797	616629983	/nfs/dbraw/zinc/62/99/83/616629983.db2.gz	GFSMJCOSSCXRNX-BREBYQMCSA-N	-1	0	268.313	0.922	20	30		CCEDRM
CNC(=O)C(C#N)=C([O-])c1ccc(N2CCNC2=O)cc1	ZINC000917005212	616776833	/nfs/dbraw/zinc/77/68/33/616776833.db2.gz	OHEVUFFTTJWQLG-NSHDSACASA-N	-1	0	286.291	0.285	20	30		CCEDRM
CNC(=O)C(C#N)=C([O-])c1ccc2c(c1)OCC(=O)N2	ZINC000917003272	616778122	/nfs/dbraw/zinc/77/81/22/616778122.db2.gz	ZHMHPJCWDCLKCN-QMMMGPOBSA-N	-1	0	273.248	0.086	20	30		CCEDRM
COC[C@](C)(C#N)NC(=O)CCN(C(=O)[O-])C(C)C	ZINC000828885790	616816771	/nfs/dbraw/zinc/81/67/71/616816771.db2.gz	OAHZFOLTLNQKRH-LBPRGKRZSA-N	-1	0	271.317	0.810	20	30		CCEDRM
COC[C@](C)(C#N)NC(=O)[C@H]1CCC[C@@H](C(=O)[O-])C1	ZINC000831541092	616817540	/nfs/dbraw/zinc/81/75/40/616817540.db2.gz	MFSMUCOSLXXQLW-CWSCBRNRSA-N	-1	0	268.313	0.922	20	30		CCEDRM
COC[C@](C)(CC(=O)[O-])NC(=O)Cc1noc(C)c1C#N	ZINC000833721027	616818287	/nfs/dbraw/zinc/81/82/87/616818287.db2.gz	NCYJDSZGJAXOMV-ZDUSSCGKSA-N	-1	0	295.295	0.393	20	30		CCEDRM
CO[C@@]1(C(=O)[O-])CCN(C(=O)C2(C#N)CC3(CC3)C2)C1	ZINC000923099512	616921891	/nfs/dbraw/zinc/92/18/91/616921891.db2.gz	ZBWCIFWWYSHFHQ-AWEZNQCLSA-N	-1	0	278.308	0.772	20	30		CCEDRM
COCCCONC(=O)c1ccc(C#N)c([O-])c1	ZINC000805041461	616925494	/nfs/dbraw/zinc/92/54/94/616925494.db2.gz	CFNNWMFQFNEFCL-UHFFFAOYSA-N	-1	0	250.254	0.962	20	30		CCEDRM
COC(=O)c1cccc(OCCN(CC#N)CC(=O)[O-])c1	ZINC000831453061	616932776	/nfs/dbraw/zinc/93/27/76/616932776.db2.gz	GKTCKBSTZVYZDG-UHFFFAOYSA-N	-1	0	292.291	0.762	20	30		CCEDRM
COCCN(CC(=O)N1CCC(C)(C#N)CC1)C(=O)[O-]	ZINC000833884106	616977072	/nfs/dbraw/zinc/97/70/72/616977072.db2.gz	BYTVDMATGWXXSX-UHFFFAOYSA-N	-1	0	283.328	0.765	20	30		CCEDRM
CO[C@H](C(=O)[O-])C(=O)N[C@H]1Cc2ccc(C#N)cc2C1	ZINC000902545782	616995560	/nfs/dbraw/zinc/99/55/60/616995560.db2.gz	LLBMCZLBIVVSOI-RYUDHWBXSA-N	-1	0	274.276	0.241	20	30		CCEDRM
CO[C@@H](C)CS(=O)(=O)[N-]C(=O)CCCCCC#N	ZINC000805930463	617159185	/nfs/dbraw/zinc/15/91/85/617159185.db2.gz	OVUIPFTZVZDRFL-JTQLQIEISA-N	-1	0	276.358	0.941	20	30		CCEDRM
C#CCOCCC(=O)[N-]S(=O)(=O)C1CCCC1	ZINC000166963396	623337527	/nfs/dbraw/zinc/33/75/27/623337527.db2.gz	XTOJXYHNESRHDV-UHFFFAOYSA-N	-1	0	259.327	0.415	20	30		CCEDRM
CSCCN(CC(=O)[O-])S(=O)(=O)CC(C)(C)C#N	ZINC000905996603	634946080	/nfs/dbraw/zinc/94/60/80/634946080.db2.gz	IDRIYVJAXLYBNT-UHFFFAOYSA-N	-1	0	294.398	0.616	20	30		CCEDRM
CC#CCS(=O)(=O)[N-]C(=O)c1ncn(C(C)(C)C)n1	ZINC000813093481	624645089	/nfs/dbraw/zinc/64/50/89/624645089.db2.gz	BVLNRYPOSIQGIQ-UHFFFAOYSA-N	-1	0	284.341	0.116	20	30		CCEDRM
C[C@H](C(=O)[O-])C(=O)N1CCN(c2ccc(C#N)nc2)CC1	ZINC000902627875	634419050	/nfs/dbraw/zinc/41/90/50/634419050.db2.gz	KVLWFWUHPSMSRU-JTQLQIEISA-N	-1	0	288.307	0.323	20	30		CCEDRM
Cn1ncc2c1N(CCC(C)(C)C#N)S(=O)(=O)C=C2[O-]	ZINC000902834334	634471910	/nfs/dbraw/zinc/47/19/10/634471910.db2.gz	RFJKYBKUDOMUJK-UHFFFAOYSA-N	-1	0	296.352	0.692	20	30		CCEDRM
O=c1[n-][nH]c(=O)n1N=Cc1ccc(-c2cc[nH]n2)o1	ZINC000814233780	631595773	/nfs/dbraw/zinc/59/57/73/631595773.db2.gz	HMVCPAZSNFRGFK-UHFFFAOYSA-N	-1	0	260.213	0.555	20	30		CCEDRM
CC[C@H](C)C(=O)[N-]S(=O)(=O)c1cc(C(N)=O)n(C)c1	ZINC000048518745	631729413	/nfs/dbraw/zinc/72/94/13/631729413.db2.gz	OAESUUMTIPZPPV-ZETCQYMHSA-N	-1	0	287.341	0.815	20	30		CCEDRM
C#C[C@@H](C)NS(=O)(=O)c1ccc(OC)c(C(=O)[O-])c1	ZINC000122970472	631888420	/nfs/dbraw/zinc/88/84/20/631888420.db2.gz	JJKCLYWHRSFQKT-MRVPVSSYSA-N	-1	0	283.305	0.693	20	30		CCEDRM
C=CCN(CC(=O)[O-])C(=O)C1CCN(C(C)=O)CC1	ZINC000092463428	631924966	/nfs/dbraw/zinc/92/49/66/631924966.db2.gz	AMJWUMQNTSLFDR-UHFFFAOYSA-N	-1	0	268.313	0.344	20	30		CCEDRM
C#Cc1cncc(C(=O)N2CC[C@@](OC)(C(=O)[O-])C2)c1	ZINC000910221918	635706979	/nfs/dbraw/zinc/70/69/79/635706979.db2.gz	NBTAFWCYAANVSY-AWEZNQCLSA-N	-1	0	274.276	0.379	20	30		CCEDRM
N#CCCCS(=O)(=O)N1CC[C@H]2[C@@H](C(=O)[O-])[C@H]2C1	ZINC000871775291	632721630	/nfs/dbraw/zinc/72/16/30/632721630.db2.gz	DLRKJVODFDATQX-KXUCPTDWSA-N	-1	0	272.326	0.272	20	30		CCEDRM
C=C(Br)CNC(=O)N[C@H](C)C(=O)[O-]	ZINC000163552224	633596932	/nfs/dbraw/zinc/59/69/32/633596932.db2.gz	IPCMTHWSZDEYHD-RXMQYKEDSA-N	-1	0	251.080	0.667	20	30		CCEDRM
N#Cc1cc(N2CCOC[C@H]2C(=O)[O-])nc(C2CC2)n1	ZINC000900945317	634125590	/nfs/dbraw/zinc/12/55/90/634125590.db2.gz	JNXKEIORBGKRME-JTQLQIEISA-N	-1	0	274.280	0.515	20	30		CCEDRM
O=C([O-])c1ccc(C=NN[C@H]2CCOC2)cc1O	ZINC000901231008	634211789	/nfs/dbraw/zinc/21/17/89/634211789.db2.gz	AHYNDFXVYVILEL-VIFPVBQESA-N	-1	0	250.254	0.803	20	30		CCEDRM
C[C@H]1Cc2cc(C=Nn3c(=O)[n-][nH]c3=O)ccc2O1	ZINC000901245473	634213946	/nfs/dbraw/zinc/21/39/46/634213946.db2.gz	IQLFFLMSKGMWEZ-ZETCQYMHSA-N	-1	0	260.253	0.895	20	30		CCEDRM
N#C[C@@]1(C(=O)NCCOCC(=O)[O-])CC2CCC1CC2	ZINC000902298005	634359767	/nfs/dbraw/zinc/35/97/67/634359767.db2.gz	SWTVPKIFDWLTNY-MGULZYLOSA-N	-1	0	280.324	0.924	20	30		CCEDRM
Cc1nn(C)c(C=Nn2c(=O)c(C)n[n-]c2=S)c1Cl	ZINC000905421428	634861824	/nfs/dbraw/zinc/86/18/24/634861824.db2.gz	BUYUKHWPHINJRG-UHFFFAOYSA-N	-1	0	298.759	0.813	20	30		CCEDRM
C#C[C@H](C)NS(=O)(=O)c1ccc(C(=O)[O-])cc1OC	ZINC000223833357	636909328	/nfs/dbraw/zinc/90/93/28/636909328.db2.gz	BYIXESGPTVEJNY-QMMMGPOBSA-N	-1	0	283.305	0.693	20	30		CCEDRM
C=C(Br)CNC(=O)NCCOCC(=O)[O-]	ZINC000168350092	636997422	/nfs/dbraw/zinc/99/74/22/636997422.db2.gz	XVAVERSEJMMXIL-UHFFFAOYSA-N	-1	0	281.106	0.295	20	30		CCEDRM
C#CCSCCNC(=O)N1CCSC[C@@H]1C(=O)[O-]	ZINC000231960160	637235348	/nfs/dbraw/zinc/23/53/48/637235348.db2.gz	DPHWSMNAACAVKP-SECBINFHSA-N	-1	0	288.394	0.564	20	30		CCEDRM
CNC(=O)C(C#N)=C([O-])c1ccc(-n2cncn2)c(C)c1	ZINC000173990908	637237858	/nfs/dbraw/zinc/23/78/58/637237858.db2.gz	XHJDFMVNYOHLDM-NSHDSACASA-N	-1	0	283.291	0.644	20	30		CCEDRM
N#Cc1c[n-]c(=O)n(C[C@@H]2CC[C@@H](C3CC3)O2)c1=O	ZINC000917859217	637991710	/nfs/dbraw/zinc/99/17/10/637991710.db2.gz	PVOFTSOKUHNYES-QWRGUYRKSA-N	-1	0	261.281	0.366	20	30		CCEDRM
Cc1ccc(F)c(NN=C2C(=O)[N-]C(=O)NC2=O)c1	ZINC000921205432	638162720	/nfs/dbraw/zinc/16/27/20/638162720.db2.gz	UDFVCTYXAYOWJQ-UHFFFAOYSA-N	-1	0	264.216	0.268	20	30		CCEDRM
N#CCCCS(=O)(=O)[N-]C(=O)c1cscn1	ZINC000181264454	638327736	/nfs/dbraw/zinc/32/77/36/638327736.db2.gz	HNDXQPKDWUEICK-UHFFFAOYSA-N	-1	0	259.312	0.506	20	30		CCEDRM
N#CCCCS(=O)(=O)[N-]C(=O)C1=COCCC1	ZINC000181284615	638331101	/nfs/dbraw/zinc/33/11/01/638331101.db2.gz	JKXBOPJEQKOROM-UHFFFAOYSA-N	-1	0	258.299	0.430	20	30		CCEDRM
CCN(CC(=O)[O-])S(=O)(=O)c1cccc(F)c1C#N	ZINC000070989121	638532447	/nfs/dbraw/zinc/53/24/47/638532447.db2.gz	HNVHOIQBHRDUMK-UHFFFAOYSA-N	-1	0	286.284	0.793	20	30		CCEDRM
C[C@@H]1CN(C(=O)[C@@]2(C#N)CCCOC2)C[C@H]1CC(=O)[O-]	ZINC000923104125	640025253	/nfs/dbraw/zinc/02/52/53/640025253.db2.gz	MWYGCWMGHKLYFL-JTNHKYCSSA-N	-1	0	280.324	0.876	20	30		CCEDRM
N#CC(C(=O)NC1CC1)=C([O-])c1cncc(-n2ccnn2)c1	ZINC000802041440	640684520	/nfs/dbraw/zinc/68/45/20/640684520.db2.gz	WCHPJNHALDJLBX-LBPRGKRZSA-N	-1	0	296.290	0.263	20	30		CCEDRM
N#Cc1nc(NC(=O)c2cnc3[nH]c(=O)[nH]c3c2)[n-]c1C#N	ZINC000809601998	640901082	/nfs/dbraw/zinc/90/10/82/640901082.db2.gz	HCYOMROOHUTNHX-UHFFFAOYSA-N	-1	0	294.234	0.382	20	30		CCEDRM
N#Cc1cccc(C(=O)[N-]S(=O)(=O)CC(F)(F)F)n1	ZINC000810598677	640939724	/nfs/dbraw/zinc/93/97/24/640939724.db2.gz	ZYNMURFLIDRHPM-UHFFFAOYSA-N	-1	0	293.226	0.575	20	30		CCEDRM
CC#CCS(=O)(=O)[N-]C(=O)c1cn2ccc(C)cc2n1	ZINC000810774887	640949373	/nfs/dbraw/zinc/94/93/73/640949373.db2.gz	PUDVODBHNFKHLI-UHFFFAOYSA-N	-1	0	291.332	0.726	20	30		CCEDRM
CC#CCS(=O)(=O)[N-]C(=O)c1sc2nccn2c1C	ZINC000810776930	640949543	/nfs/dbraw/zinc/94/95/43/640949543.db2.gz	NPMLPUSBGJKNFA-UHFFFAOYSA-N	-1	0	297.361	0.787	20	30		CCEDRM
O=c1[n-][nH]c(=O)n1N=Cc1ccc(N2CCOCC2)s1	ZINC000814231954	641062549	/nfs/dbraw/zinc/06/25/49/641062549.db2.gz	RTKLIUBYQYCEHM-UHFFFAOYSA-N	-1	0	295.324	0.470	20	30		CCEDRM
C[C@@H]1C[C@@H](C(=O)[O-])CCC1N=Nc1ccc(C(N)=O)nn1	ZINC000814870127	641080099	/nfs/dbraw/zinc/08/00/99/641080099.db2.gz	NQNFVGYMUSTHAZ-SFYZADRCSA-N	-1	0	291.311	0.864	20	30		CCEDRM
C[C@H](Oc1ccc(C=NNCCO)cc1)C(=O)[O-]	ZINC000814944019	641083235	/nfs/dbraw/zinc/08/32/35/641083235.db2.gz	JLWRCDWRPKUMKX-VIFPVBQESA-N	-1	0	252.270	0.454	20	30		CCEDRM
Cn1cc(C=NNCC(=O)[O-])c(-c2ccc(C#N)cc2)n1	ZINC000814958660	641084868	/nfs/dbraw/zinc/08/48/68/641084868.db2.gz	JCRWSJORASPCKO-UHFFFAOYSA-N	-1	0	283.291	0.967	20	30		CCEDRM
Cn1nncc1NN=Cc1cccc(OCC(=O)[O-])c1	ZINC000814982975	641087575	/nfs/dbraw/zinc/08/75/75/641087575.db2.gz	WRQAPOFDRAGTGQ-UHFFFAOYSA-N	-1	0	275.268	0.725	20	30		CCEDRM
N#Cc1ccc(NC(=O)C(=O)[N-]OCCC2CC2)nc1	ZINC000815792072	641123162	/nfs/dbraw/zinc/12/31/62/641123162.db2.gz	MUJZHJRQPPZDEE-UHFFFAOYSA-N	-1	0	274.280	0.740	20	30		CCEDRM
O=C(N[C@@H]1CCN(O)C1=O)c1ccc([O-])c(Cl)c1	ZINC000820155903	641475389	/nfs/dbraw/zinc/47/53/89/641475389.db2.gz	BHKJBIHFKCCSIV-MRVPVSSYSA-N	-1	0	270.672	0.766	20	30		CCEDRM
O=C(N[C@@H]1CCCN(O)C1=O)c1cccc(F)c1[O-]	ZINC000820544539	641514800	/nfs/dbraw/zinc/51/48/00/641514800.db2.gz	MYDCUWFJBCOJHB-SECBINFHSA-N	-1	0	268.244	0.641	20	30		CCEDRM
N#Cc1c(-c2nnn[n-]2)ncn1CC(=O)c1ccc(F)cc1	ZINC000826383172	641929827	/nfs/dbraw/zinc/92/98/27/641929827.db2.gz	NVLAPYROBBUATQ-UHFFFAOYSA-N	-1	0	297.253	0.957	20	30		CCEDRM
N#Cc1c(-c2nnn[n-]2)ncn1Cc1ccc([N+](=O)[O-])cc1	ZINC000826382951	641930820	/nfs/dbraw/zinc/93/08/20/641930820.db2.gz	CAOKXTPZFSKYQA-UHFFFAOYSA-N	-1	0	296.250	0.891	20	30		CCEDRM
C[C@H](CN(C)C(=O)C#Cc1cccs1)c1nnn[n-]1	ZINC000829165974	642147690	/nfs/dbraw/zinc/14/76/90/642147690.db2.gz	LGEAGKLQVNJMOJ-SECBINFHSA-N	-1	0	275.337	0.875	20	30		CCEDRM
CO[C@H]1CCCC[C@@H]1C(=O)[N-]S(=O)(=O)CCC#N	ZINC000835409642	642660843	/nfs/dbraw/zinc/66/08/43/642660843.db2.gz	KEFFQWGZOJLPTN-UWVGGRQHSA-N	-1	0	274.342	0.551	20	30		CCEDRM
C[C@@H](CC#N)C(=O)[N-]S(=O)(=O)C[C@@H]1CCCCO1	ZINC000850812445	643815025	/nfs/dbraw/zinc/81/50/25/643815025.db2.gz	XDNTXPBFFQWAFT-UWVGGRQHSA-N	-1	0	274.342	0.551	20	30		CCEDRM
N#CCCS(=O)(=O)[N-]C(=O)c1ccc(F)s1	ZINC000851015393	643826671	/nfs/dbraw/zinc/82/66/71/643826671.db2.gz	CUZYRPCQVLRBCV-UHFFFAOYSA-N	-1	0	262.287	0.860	20	30		CCEDRM
C[C@H](CC#N)C(=O)[N-]S(=O)(=O)c1cccnc1[N+](=O)[O-]	ZINC000851330281	643841387	/nfs/dbraw/zinc/84/13/87/643841387.db2.gz	XULVTEFAYBYWIS-SSDOTTSWSA-N	-1	0	298.280	0.344	20	30		CCEDRM
O=C([O-])Cn1cc(/C=C2\CCn3nccc3C2=O)nn1	ZINC000853009248	644067110	/nfs/dbraw/zinc/06/71/10/644067110.db2.gz	HQZWLWZGBYVAIV-VMPITWQZSA-N	-1	0	273.252	0.229	20	30		CCEDRM
C[C@H](CC#N)N(C)S(=O)(=O)N[C@@H]1CC=C(C(=O)[O-])C1	ZINC000853070020	644071971	/nfs/dbraw/zinc/07/19/71/644071971.db2.gz	UNGCZKGKDIMGLM-PSASIEDQSA-N	-1	0	287.341	0.228	20	30		CCEDRM
C[C@H](C#N)CN(C)S(=O)(=O)N[C@H]1CC=C(C(=O)[O-])C1	ZINC000853069914	644072072	/nfs/dbraw/zinc/07/20/72/644072072.db2.gz	SUOTYPVGEJQIAT-SCZZXKLOSA-N	-1	0	287.341	0.086	20	30		CCEDRM
N#CC1(CC(=O)Nn2c(=O)[n-][nH]c2=O)CCCCC1	ZINC000854612924	644235449	/nfs/dbraw/zinc/23/54/49/644235449.db2.gz	SDPADLLSEAJWRP-UHFFFAOYSA-N	-1	0	265.273	0.624	20	30		CCEDRM
N#Cc1ccc([O-])c(NC(=O)[C@@H]2CCOC(=O)N2)c1	ZINC000860445291	644802585	/nfs/dbraw/zinc/80/25/85/644802585.db2.gz	PQFCAVDRJIKLJP-QMMMGPOBSA-N	-1	0	261.237	0.701	20	30		CCEDRM
C[C@H](CC#N)C(=O)[N-]S(=O)(=O)C1(C(F)F)CC1	ZINC000861159047	644862342	/nfs/dbraw/zinc/86/23/42/644862342.db2.gz	NFCPUHJRRFRJBM-ZCFIWIBFSA-N	-1	0	266.269	0.780	20	30		CCEDRM
O=C([O-])C1CCC(=NN[C@H]2CCCS(=O)(=O)C2)CC1	ZINC000863131718	645062571	/nfs/dbraw/zinc/06/25/71/645062571.db2.gz	NNGDGGVYDLBVOI-UMJHXOGRSA-N	-1	0	288.369	0.784	20	30		CCEDRM
CC(=O)C[C@H](NS(=O)(=O)c1ccccc1C#N)C(=O)[O-]	ZINC000863410568	645092492	/nfs/dbraw/zinc/09/24/92/645092492.db2.gz	GVMWXUBTDKBQMH-JTQLQIEISA-N	-1	0	296.304	0.269	20	30		CCEDRM
CC(=O)C[C@H](NS(=O)(=O)CC1(CC#N)CC1)C(=O)[O-]	ZINC000863407570	645092715	/nfs/dbraw/zinc/09/27/15/645092715.db2.gz	JFAZETRPTXWVQT-VIFPVBQESA-N	-1	0	288.325	0.032	20	30		CCEDRM
N#Cc1ccc(S(=O)(=O)[N-]C(=O)[C@@H]2CCCCO2)cc1	ZINC000121851620	645666628	/nfs/dbraw/zinc/66/66/28/645666628.db2.gz	KYNXUIJNYBPHCC-LBPRGKRZSA-N	-1	0	294.332	0.932	20	30		CCEDRM
Cc1cc(F)ncc1C(=O)[N-]S(=O)(=O)CC1(C#N)CC1	ZINC000870281603	645978088	/nfs/dbraw/zinc/97/80/88/645978088.db2.gz	LJLRECMYIISBDC-UHFFFAOYSA-N	-1	0	297.311	0.893	20	30		CCEDRM
N#C[C@@]1(F)CCN(C(=O)N[C@H]2C[C@H](C(=O)[O-])C2)C1	ZINC000874428910	646463402	/nfs/dbraw/zinc/46/34/02/646463402.db2.gz	UOEFBSGWBXUUEG-LAEOZQHASA-N	-1	0	255.249	0.497	20	30		CCEDRM
Cn1[n-]c(C(=O)N[C@H](CC#N)C(F)(F)F)cc1=O	ZINC000928801359	648661720	/nfs/dbraw/zinc/66/17/20/648661720.db2.gz	AENPKVVUMMHMKB-ZCFIWIBFSA-N	-1	0	262.191	0.700	20	30		CCEDRM
N#CCSCC(=O)[N-]S(=O)(=O)c1ccsc1	ZINC000159567197	649321592	/nfs/dbraw/zinc/32/15/92/649321592.db2.gz	QMXHLMDYVGPPMS-UHFFFAOYSA-N	-1	0	276.364	0.810	20	30		CCEDRM
COCCS(=O)(=O)[N-]C(=O)c1cc(C(C)C)nn1C	ZINC000080291939	649541473	/nfs/dbraw/zinc/54/14/73/649541473.db2.gz	DJSUBEZJRSHOMU-UHFFFAOYSA-N	-1	0	289.357	0.824	20	30		CCEDRM
C#CCN(CC(=O)[O-])S(=O)(=O)c1cc(C)ccc1F	ZINC000092479976	649724359	/nfs/dbraw/zinc/72/43/59/649724359.db2.gz	AMMAKTOTWZWWCQ-UHFFFAOYSA-N	-1	0	285.296	0.843	20	30		CCEDRM
N#CCN1CCN(C(=O)c2ccc3oc(=O)nc-3[n-]2)CC1	ZINC000957314563	649743457	/nfs/dbraw/zinc/74/34/57/649743457.db2.gz	JOPXBKRGVOTSSL-UHFFFAOYSA-N	-1	0	287.279	0.210	20	30		CCEDRM
CN1[C@@H]2C[C@@H](Oc3nc(Cl)[n-]c(=O)n3)C[C@H]1[C@@H]1O[C@@H]12	ZINC001230239891	805588087	/nfs/dbraw/zinc/58/80/87/805588087.db2.gz	DGSWRINUEOQXMT-RZVDLVGDSA-N	-1	0	284.703	0.222	20	30		CCEDRM
COCC[C@@H](COC)NC(=O)[C@](C)(C#N)CC(=O)[O-]	ZINC001574142867	962595703	/nfs/dbraw/zinc/59/57/03/962595703.db2.gz	GDPHTGJQKYHJSX-CABZTGNLSA-N	-1	0	272.301	0.159	20	30		CCEDRM
C=C[C@@](C)(O)C(=O)N[C@@H](CCSC)c1nnn[n-]1	ZINC001167448937	791129002	/nfs/dbraw/zinc/12/90/02/791129002.db2.gz	PMWKBUOXQHHQDZ-OIBJUYFYSA-N	-1	0	271.346	0.047	20	30		CCEDRM
N#Cc1cccnc1N1CCC(Oc2n[nH]c(=O)[n-]2)CC1	ZINC001231308493	805773426	/nfs/dbraw/zinc/77/34/26/805773426.db2.gz	STEOGDCUHWKQQO-UHFFFAOYSA-N	-1	0	286.295	0.825	20	30		CCEDRM
CN(C(=O)C#CC(C)(C)C)C1CN(Cc2n[nH]c(=O)[n-]2)C1	ZINC001277593104	805876625	/nfs/dbraw/zinc/87/66/25/805876625.db2.gz	AIGKZDGBAIHNIH-UHFFFAOYSA-N	-1	0	291.355	0.202	20	30		CCEDRM
CS(=O)(=O)[C@@H]1CCN(Cc2ccc(C#N)cc2O)C1	ZINC001233386120	806052113	/nfs/dbraw/zinc/05/21/13/806052113.db2.gz	GZLIJAKFKWBWQO-GFCCVEGCSA-N	-1	0	280.349	0.883	20	30		CCEDRM
N#Cc1cnc(NC(=O)C(=O)[O-])c(Br)c1	ZINC001143408662	791314671	/nfs/dbraw/zinc/31/46/71/791314671.db2.gz	CIJYLMQVUCHARE-UHFFFAOYSA-N	-1	0	270.042	0.739	20	30		CCEDRM
CCOC(=O)c1cc(C#N)c(NC(=O)C(=O)[O-])c(C)c1O	ZINC001143415393	791391834	/nfs/dbraw/zinc/39/18/34/791391834.db2.gz	JCQHEZUJGRUWND-UHFFFAOYSA-N	-1	0	292.247	0.772	20	30		CCEDRM
N#CC(C#N)c1nc2ccccc2nc1N[C@@H]1CO[N-]C1=O	ZINC001167514370	791504542	/nfs/dbraw/zinc/50/45/42/791504542.db2.gz	YQEBBCRYPRKAFI-LLVKDONJSA-N	-1	0	294.274	0.602	20	30		CCEDRM
Cn1ncc(C#N)c1[N-]S(=O)(=O)C1CCC(=O)CC1	ZINC000708221223	791707216	/nfs/dbraw/zinc/70/72/16/791707216.db2.gz	ZDUOPLCTPDMENB-UHFFFAOYSA-N	-1	0	282.325	0.545	20	30		CCEDRM
N#Cc1ccc(N[C@H]2C[C@@H](NC(=O)c3cn[nH]n3)C2)nc1	ZINC001059880694	814930063	/nfs/dbraw/zinc/93/00/63/814930063.db2.gz	YPEGGUYKNTVWSJ-AOOOYVTPSA-N	-1	0	283.295	0.444	20	30		CCEDRM
Cn1c(=O)[n-]c(N[C@H]2CCCSC2)c(C#N)c1=O	ZINC001120822633	798943460	/nfs/dbraw/zinc/94/34/60/798943460.db2.gz	ZKFKESSFUVZELD-ZETCQYMHSA-N	-1	0	266.326	0.253	20	30		CCEDRM
Cn1c(=O)[n-]c(NCCCOC(C)(C)C)c(C#N)c1=O	ZINC001120862048	798950611	/nfs/dbraw/zinc/95/06/11/798950611.db2.gz	LNCCLCCBZDOOTA-UHFFFAOYSA-N	-1	0	280.328	0.562	20	30		CCEDRM
C=CCO[N-]C(=O)C(=O)Nc1noc2c1CCCC2	ZINC001120898781	798958267	/nfs/dbraw/zinc/95/82/67/798958267.db2.gz	MYVVOYXDDLNDCZ-UHFFFAOYSA-N	-1	0	265.269	0.726	20	30		CCEDRM
CC[C@]1(C)CCN(c2[n-]c(=O)n(C)c(=O)c2C#N)C1	ZINC001120909997	798960355	/nfs/dbraw/zinc/96/03/55/798960355.db2.gz	JMFIKMXHKAPNMS-CYBMUJFWSA-N	-1	0	262.313	0.572	20	30		CCEDRM
N#CC(C(=O)NC1CCCC1)=C([O-])c1coc(C(N)=O)c1	ZINC001122414933	799227599	/nfs/dbraw/zinc/22/75/99/799227599.db2.gz	LYBLKGBHBFMIPX-SNVBAGLBSA-N	-1	0	289.291	0.760	20	30		CCEDRM
COC(=O)c1cnc(C([O-])=C(C#N)C(=O)NC(C)C)cn1	ZINC001122502442	799251797	/nfs/dbraw/zinc/25/17/97/799251797.db2.gz	OSVZTNHLFPJYIN-MRVPVSSYSA-N	-1	0	290.279	0.110	20	30		CCEDRM
O=C(N[C@@H]1CCN(O)C1=O)c1coc2cc(O)ccc12	ZINC001141380402	800002893	/nfs/dbraw/zinc/00/28/93/800002893.db2.gz	OSNJELBROOZDJW-SNVBAGLBSA-N	-1	0	276.248	0.858	20	30		CCEDRM
Cn1ncc(NC(=O)c2cc(=O)c3cc(C#N)ccc3[n-]2)n1	ZINC001154552067	800798510	/nfs/dbraw/zinc/79/85/10/800798510.db2.gz	GLVYADPPJNDLEM-UHFFFAOYSA-N	-1	0	294.274	0.781	20	30		CCEDRM
C=C[C@H](CC)CC(=O)Nc1n[n-]c(S(C)(=O)=O)n1	ZINC001160665412	801994736	/nfs/dbraw/zinc/99/47/36/801994736.db2.gz	XDLBRGXGFHRTTR-SSDOTTSWSA-N	-1	0	272.330	0.749	20	30		CCEDRM
Cc1nc(C(=O)[N-]n2ccccc2=O)ccc1C#N	ZINC001161080917	802085326	/nfs/dbraw/zinc/08/53/26/802085326.db2.gz	ZATLERBYSNFERF-UHFFFAOYSA-N	-1	0	254.249	0.807	20	30		CCEDRM
C=CCS(=O)(=O)[N-][C@H](C(=O)OC)C(F)(F)F	ZINC001259934964	808810124	/nfs/dbraw/zinc/81/01/24/808810124.db2.gz	KCFONOMTOHOBKF-RXMQYKEDSA-N	-1	0	261.221	0.196	20	30		CCEDRM
CSc1nc(C)c(C#N)c(N[C@@H]2SC(=O)[N-]C2=O)n1	ZINC001163662253	802585461	/nfs/dbraw/zinc/58/54/61/802585461.db2.gz	MBCXXLJFOCKKRW-MRVPVSSYSA-N	-1	0	295.349	0.522	20	30		CCEDRM
C=CCO[C@H]1CCN(C(=O)CSCC(=O)[O-])C1	ZINC001261893028	809123018	/nfs/dbraw/zinc/12/30/18/809123018.db2.gz	GFGXXCIABFNPBW-VIFPVBQESA-N	-1	0	259.327	0.608	20	30		CCEDRM
C=CCCC(=O)N[C@@H]1CN(Cc2n[nH]c(=O)[n-]2)C[C@H]1C	ZINC001206537563	803263235	/nfs/dbraw/zinc/26/32/35/803263235.db2.gz	ZIJACLUOALUSCA-NXEZZACHSA-N	-1	0	279.344	0.413	20	30		CCEDRM
COc1c(N=C(NO)c2nonc2N)cccc1C(=O)[O-]	ZINC001211032857	803665088	/nfs/dbraw/zinc/66/50/88/803665088.db2.gz	ZYNSLHVXMLIJCS-UHFFFAOYSA-N	-1	0	293.239	0.416	20	30		CCEDRM
Cc1cc(-c2noc(-c3c[nH]c(=O)c(=O)[n-]3)n2)ccc1C#N	ZINC001213928555	803706308	/nfs/dbraw/zinc/70/63/08/803706308.db2.gz	ZXCXCWJFPPLDFC-UHFFFAOYSA-N	-1	0	295.258	0.960	20	30		CCEDRM
C=CCN(C1CC1)S(=O)(=O)[C@H]1CC[C@H]1C(=O)[O-]	ZINC001465111215	804113837	/nfs/dbraw/zinc/11/38/37/804113837.db2.gz	AZFXKBLQRMLLRB-ZJUUUORDSA-N	-1	0	259.327	0.830	20	30		CCEDRM
C=CCC[C@@H](NC(=O)[C@@H](C)n1cncn1)C(=O)[O-]	ZINC000315705425	804640746	/nfs/dbraw/zinc/64/07/46/804640746.db2.gz	FQCPBHGUEUJCPP-RKDXNWHRSA-N	-1	0	252.274	0.375	20	30		CCEDRM
C=CCC[C@H](NC(=O)NCc1cc(C)nn1C)C(=O)[O-]	ZINC000315930012	804659768	/nfs/dbraw/zinc/65/97/68/804659768.db2.gz	QTFZEDCRSQZYDL-NSHDSACASA-N	-1	0	280.328	0.947	20	30		CCEDRM
C=CCC[C@H](NC(=O)NCCc1cn(C)cn1)C(=O)[O-]	ZINC000316471822	804702114	/nfs/dbraw/zinc/70/21/14/804702114.db2.gz	OENNRHIEBQERJJ-NSHDSACASA-N	-1	0	280.328	0.681	20	30		CCEDRM
C=CCC[C@H](NC(=O)N[C@H]1CCC[N@@H+](C)C1)C(=O)[O-]	ZINC000316551670	804708741	/nfs/dbraw/zinc/70/87/41/804708741.db2.gz	YKTZJWOBFYKPJJ-QWRGUYRKSA-N	-1	0	269.345	0.799	20	30		CCEDRM
C=CCOC[C@@H](CS(=O)(=O)[O-])OCc1cnoc1	ZINC001222377275	804895152	/nfs/dbraw/zinc/89/51/52/804895152.db2.gz	JIXDFZCINBGSDG-JTQLQIEISA-N	-1	0	277.298	0.650	20	30		CCEDRM
N#Cc1ccc(C(=O)N2C[C@H]3C[C@@]3(C(N)=O)C2)c([O-])c1	ZINC001276865366	804955472	/nfs/dbraw/zinc/95/54/72/804955472.db2.gz	XQWLPSHHLLBEQO-YMTOWFKASA-N	-1	0	271.276	0.211	20	30		CCEDRM
N#Cc1cc(F)c(=O)[n-]c1OC[C@@H]1CCC(=O)O1	ZINC001226007805	805186019	/nfs/dbraw/zinc/18/60/19/805186019.db2.gz	AKRIXBFABPQOTN-ZETCQYMHSA-N	-1	0	252.201	0.882	20	30		CCEDRM
C=C(C)C(C)(C)C(=O)NCC1(NCc2n[nH]c(=O)[n-]2)CC1	ZINC001277132596	805239730	/nfs/dbraw/zinc/23/97/30/805239730.db2.gz	FQJXWZNRKVGKGB-UHFFFAOYSA-N	-1	0	293.371	0.851	20	30		CCEDRM
CC(C)(C)c1ccc(C#N)c(OC(=O)[C@@H](O)CC(=O)[O-])n1	ZINC001226547804	805243946	/nfs/dbraw/zinc/24/39/46/805243946.db2.gz	YXYGCODIPXFLIW-VIFPVBQESA-N	-1	0	292.291	0.992	20	30		CCEDRM
C=CCOC[C@@H](CS(=O)(=O)[O-])Oc1ccc(N)nc1	ZINC001226779222	805279157	/nfs/dbraw/zinc/27/91/57/805279157.db2.gz	DNPPXYOUJIVNNY-JTQLQIEISA-N	-1	0	288.325	0.502	20	30		CCEDRM
C=C[C@H](Oc1[n-]c(=O)nc2cnccc21)C(=O)OC	ZINC001226975891	805300867	/nfs/dbraw/zinc/30/08/67/805300867.db2.gz	DIBPNSBDHOOSLB-VIFPVBQESA-N	-1	0	261.237	0.425	20	30		CCEDRM
C=C[C@@H](Oc1[n-]c(=O)nnc1Br)C(=O)OC	ZINC001227066083	805316030	/nfs/dbraw/zinc/31/60/30/805316030.db2.gz	DMJIHVKSZWLPHO-SCSAIBSYSA-N	-1	0	290.073	0.446	20	30		CCEDRM
N#Cc1cc(OC(=O)[C@H](O)CCC(=O)[O-])cnc1Cl	ZINC001227744295	805385268	/nfs/dbraw/zinc/38/52/68/805385268.db2.gz	HXOQFMLOGKMBJK-MRVPVSSYSA-N	-1	0	284.655	0.738	20	30		CCEDRM
CC(=O)OC[C@H](COc1[n-]c(=O)ccc1C#N)OC(C)=O	ZINC001228897979	805488495	/nfs/dbraw/zinc/48/84/95/805488495.db2.gz	AKNOZBOXUDCPRQ-LLVKDONJSA-N	-1	0	294.263	0.532	20	30		CCEDRM
CC[C@H](C#CC(=O)OC)Oc1[n-]c(=O)ccc1C#N	ZINC001228901201	805488531	/nfs/dbraw/zinc/48/85/31/805488531.db2.gz	KAMPAIZERMIFTM-SNVBAGLBSA-N	-1	0	260.249	0.993	20	30		CCEDRM
N#CC1(c2ccc(OC(=O)[C@H](O)CC(=O)[O-])cc2)CC1	ZINC001229938993	805568388	/nfs/dbraw/zinc/56/83/88/805568388.db2.gz	SIFUAEYPXZIVGQ-LLVKDONJSA-N	-1	0	275.260	0.983	20	30		CCEDRM
C=CCn1cnc2c1ncnc2[N-]S(=O)(=O)N(C)C	ZINC001251055696	807657797	/nfs/dbraw/zinc/65/77/97/807657797.db2.gz	HALMWCPVCDLHNY-UHFFFAOYSA-N	-1	0	282.329	0.231	20	30		CCEDRM
C#CC[C@@H](NC(=O)c1c(OC)cccc1OC)C(=O)[O-]	ZINC000149875056	815139631	/nfs/dbraw/zinc/13/96/31/815139631.db2.gz	WARUUHFMSNSVFI-SECBINFHSA-N	-1	0	277.276	0.910	20	30		CCEDRM
C#CCOC[C@H](O)CNc1ccc(S(=O)(=O)[O-])cc1	ZINC001251867577	807727957	/nfs/dbraw/zinc/72/79/57/807727957.db2.gz	JOKTWVJDYMGPTE-LLVKDONJSA-N	-1	0	285.321	0.356	20	30		CCEDRM
C#CCCCCC(=O)[N-]S(=O)(=O)N(CC)CC	ZINC001254121596	808185197	/nfs/dbraw/zinc/18/51/97/808185197.db2.gz	FITQXHGKUIUGOT-UHFFFAOYSA-N	-1	0	260.359	0.883	20	30		CCEDRM
C[C@H](C(=O)[N-]OCC(F)(F)F)n1cnc(C#N)n1	ZINC001256541024	808531564	/nfs/dbraw/zinc/53/15/64/808531564.db2.gz	BWNMHMXYNJMOGV-RXMQYKEDSA-N	-1	0	263.179	0.321	20	30		CCEDRM
COC(=O)CS(=O)(=O)[N-]C1=CC(=O)CC(C)(C)C1	ZINC001259029708	808726402	/nfs/dbraw/zinc/72/64/02/808726402.db2.gz	CJGQKMPHZMHAFC-UHFFFAOYSA-N	-1	0	275.326	0.352	20	30		CCEDRM
COC(=O)CS(=O)(=O)N[C@](C)(C#N)CC(C)C	ZINC001259033222	808728680	/nfs/dbraw/zinc/72/86/80/808728680.db2.gz	GMSZHRNUKFLQDB-JTQLQIEISA-N	-1	0	262.331	0.407	20	30		CCEDRM
Cn1ncc([N-]S(=O)(=O)c2cccnc2)c1C#N	ZINC001259602925	808762203	/nfs/dbraw/zinc/76/22/03/808762203.db2.gz	FOMZBYSVCZKLFI-UHFFFAOYSA-N	-1	0	263.282	0.488	20	30		CCEDRM
C=CCS(=O)(=O)Nc1nc[n-]c(=O)c1Br	ZINC001259923201	808805367	/nfs/dbraw/zinc/80/53/67/808805367.db2.gz	XXWRRLZSNSFTGI-UHFFFAOYSA-N	-1	0	294.130	0.872	20	30		CCEDRM
Cc1cnc([N-]S(=O)(=O)c2ccn(C)n2)c(C#N)c1	ZINC001259938319	808813038	/nfs/dbraw/zinc/81/30/38/808813038.db2.gz	KJHIKIMUKDVWKN-UHFFFAOYSA-N	-1	0	277.309	0.796	20	30		CCEDRM
Cc1nn(C)c(C)c1S(=O)(=O)[N-]c1cnn(C)c1C#N	ZINC001260106708	808852354	/nfs/dbraw/zinc/85/23/54/808852354.db2.gz	KGZXIBMIQGYCNX-UHFFFAOYSA-N	-1	0	294.340	0.443	20	30		CCEDRM
C[C@H](C#N)NS(=O)(=O)c1ccc(O)c(C(=O)[O-])c1	ZINC001260402537	808860082	/nfs/dbraw/zinc/86/00/82/808860082.db2.gz	NNKUUNSAKVZKDP-ZCFIWIBFSA-N	-1	0	270.266	0.281	20	30		CCEDRM
Cc1cccc(C#N)c1[N-]S(=O)(=O)CS(C)(=O)=O	ZINC001260591605	808870557	/nfs/dbraw/zinc/87/05/57/808870557.db2.gz	BCISBIMTIOPKIF-UHFFFAOYSA-N	-1	0	288.350	0.611	20	30		CCEDRM
CS(=O)(=O)CS(=O)(=O)[N-]c1c(F)cccc1C#N	ZINC001260590437	808871124	/nfs/dbraw/zinc/87/11/24/808871124.db2.gz	BSMCSHJCSIWLJB-UHFFFAOYSA-N	-1	0	292.313	0.441	20	30		CCEDRM
C#CCCS(=O)(=O)N[C@@H](C(=O)OCC)C1CC1	ZINC001261132519	808911021	/nfs/dbraw/zinc/91/10/21/808911021.db2.gz	LIXOFYIAQMAFKA-SNVBAGLBSA-N	-1	0	259.327	0.271	20	30		CCEDRM
C=CCO[C@H]1CCN(C(=O)c2c[n-]n3c2nccc3=O)C1	ZINC001261772036	809083129	/nfs/dbraw/zinc/08/31/29/809083129.db2.gz	NFAWKOQOMJJEPB-JTQLQIEISA-N	-1	0	288.307	0.440	20	30		CCEDRM
C=CCCCCNC(=O)C(=O)N[C@H]1C[C@@H](C(=O)[O-])C1	ZINC001262056237	809176207	/nfs/dbraw/zinc/17/62/07/809176207.db2.gz	IUVBUOMURAAMDN-AOOOYVTPSA-N	-1	0	268.313	0.438	20	30		CCEDRM
C=CC[C@H](NC(=O)[C@@H]1CCc2c[nH]nc2C1)C(=O)[O-]	ZINC001262177393	809222946	/nfs/dbraw/zinc/22/29/46/809222946.db2.gz	STQQCDXVLJQSLE-SCZZXKLOSA-N	-1	0	263.297	0.660	20	30		CCEDRM
C/C=C(\C)C(=O)N1CC(n2cc(C#N)c(=O)[n-]c2=O)C1	ZINC001262661480	809388434	/nfs/dbraw/zinc/38/84/34/809388434.db2.gz	HDPGWELWZKKQNR-FPYGCLRLSA-N	-1	0	274.280	0.170	20	30		CCEDRM
CC[C@@H]1CCCCN1c1[n-]c(=O)n(C)c(=O)c1C#N	ZINC001262675467	809391205	/nfs/dbraw/zinc/39/12/05/809391205.db2.gz	OIJLAQRTMNEHAN-SECBINFHSA-N	-1	0	262.313	0.714	20	30		CCEDRM
C[C@H]1CCN(c2[n-]c(=O)n(C)c(=O)c2C#N)C[C@H]1F	ZINC001262690160	809395882	/nfs/dbraw/zinc/39/58/82/809395882.db2.gz	UBZZEUNMVDESDO-IONNQARKSA-N	-1	0	266.276	0.130	20	30		CCEDRM
CC(C)SCCNc1[n-]c(=O)n(C)c(=O)c1C#N	ZINC001262696504	809397838	/nfs/dbraw/zinc/39/78/38/809397838.db2.gz	IMLZPIPPJQVLGH-UHFFFAOYSA-N	-1	0	268.342	0.499	20	30		CCEDRM
Cn1c(=O)[n-]c(NC[C@]23C[C@H]2CCC3)c(C#N)c1=O	ZINC001262707495	809402527	/nfs/dbraw/zinc/40/25/27/809402527.db2.gz	WYKHMWUSVILLDW-OQPBUACISA-N	-1	0	260.297	0.547	20	30		CCEDRM
C=CCNC(=O)C(C#N)=C([O-])c1ccc(C(N)=O)o1	ZINC001263292085	809503679	/nfs/dbraw/zinc/50/36/79/809503679.db2.gz	SWASQHGDDINKIB-SSDOTTSWSA-N	-1	0	261.237	0.003	20	30		CCEDRM
CNC(=O)C(C#N)=C([O-])c1ccc(-n2ccnc2)nc1	ZINC001263292805	809504317	/nfs/dbraw/zinc/50/43/17/809504317.db2.gz	SXIWBAYGOHKAJI-SNVBAGLBSA-N	-1	0	269.264	0.336	20	30		CCEDRM
C=CC[C@H](NC(=O)[C@@H]1Cc2cccnc2C1)C(=O)[O-]	ZINC001263630727	809544318	/nfs/dbraw/zinc/54/43/18/809544318.db2.gz	WAUALKFADPTJON-MNOVXSKESA-N	-1	0	260.293	0.942	20	30		CCEDRM
CN(CC#N)CCCNC(=O)c1n[n-]c2ccccc2c1=O	ZINC001265041480	809698341	/nfs/dbraw/zinc/69/83/41/809698341.db2.gz	ANUPIMLBNXIYHV-UHFFFAOYSA-N	-1	0	299.334	0.911	20	30		CCEDRM
C=C(C)C(=O)OC[C@@H](C)OCC[P@@](=O)([O-])O	ZINC001224606335	815321858	/nfs/dbraw/zinc/32/18/58/815321858.db2.gz	ONADYXNKBISKSZ-MRVPVSSYSA-N	-1	0	252.203	0.689	20	30		CCEDRM
Cn1cc([N-]S(=O)(=O)Cc2ccc(C#N)cc2)nn1	ZINC000702002249	809861042	/nfs/dbraw/zinc/86/10/42/809861042.db2.gz	SBERDSQGBALCCU-UHFFFAOYSA-N	-1	0	277.309	0.629	20	30		CCEDRM
C#CC[C@H](NC(=O)[C@H]1CCCN1C(=O)C(C)(C)C)C(=O)[O-]	ZINC000149753661	811484054	/nfs/dbraw/zinc/48/40/54/811484054.db2.gz	KYWZWEWWBDHXOD-WDEREUQCSA-N	-1	0	294.351	0.616	20	30		CCEDRM
N#CCC[N-]S(=O)(=O)c1c(F)cccc1[N+](=O)[O-]	ZINC000336786673	812199086	/nfs/dbraw/zinc/19/90/86/812199086.db2.gz	CLPLZYYUWLTVIE-UHFFFAOYSA-N	-1	0	273.245	0.926	20	30		CCEDRM
C=C1CC(C)(C(=O)N(C)CCN(C)Cc2n[nH]c(=O)[n-]2)C1	ZINC001268248719	812414268	/nfs/dbraw/zinc/41/42/68/812414268.db2.gz	IGVSIYATECQFRO-UHFFFAOYSA-N	-1	0	293.371	0.757	20	30		CCEDRM
CC(C)(C)c1nc(=NC(=O)C(=O)NCCC#N)s[n-]1	ZINC000427887833	813698884	/nfs/dbraw/zinc/69/88/84/813698884.db2.gz	UOTGVTIZEJDSBM-UHFFFAOYSA-N	-1	0	281.341	0.226	20	30		CCEDRM
N#Cc1cc(F)ccc1OC(=O)[C@H](O)CCC(=O)[O-]	ZINC001227023220	814250618	/nfs/dbraw/zinc/25/06/18/814250618.db2.gz	CYTDGPMRAAZFIO-SECBINFHSA-N	-1	0	267.212	0.828	20	30		CCEDRM
C=CCNC(=O)CNC(=O)C1(C(=O)[O-])C(C)(C)C1(C)C	ZINC000688590375	814259992	/nfs/dbraw/zinc/25/99/92/814259992.db2.gz	LGICWGBMLMEIBJ-UHFFFAOYSA-N	-1	0	282.340	0.542	20	30		CCEDRM
Cc1ccnc(OC(=O)[C@H](O)CCC(=O)[O-])c1C#N	ZINC001228305908	814668429	/nfs/dbraw/zinc/66/84/29/814668429.db2.gz	ZFQHVZVACBFXGD-SECBINFHSA-N	-1	0	264.237	0.393	20	30		CCEDRM
C=CCCOCCNC(=O)N[C@@H](CC=C)C(=O)[O-]	ZINC000231837675	814853175	/nfs/dbraw/zinc/85/31/75/814853175.db2.gz	QQZVDXQNMSMLLN-JTQLQIEISA-N	-1	0	256.302	0.908	20	30		CCEDRM
CC1=C(OCCCS(=O)(=O)[O-])C(=O)[C@@H](C)O1	ZINC001224892867	815642539	/nfs/dbraw/zinc/64/25/39/815642539.db2.gz	FLAAWKZNVUPQOC-ZCFIWIBFSA-N	-1	0	250.272	0.500	20	30		CCEDRM
CC(C)NC(=O)C(C#N)=C([O-])c1cn2c(n1)COCC2	ZINC001122428105	816694182	/nfs/dbraw/zinc/69/41/82/816694182.db2.gz	UFAAKPCYHFGRSP-SECBINFHSA-N	-1	0	276.296	0.260	20	30		CCEDRM
C=CCN1CC(NC(=O)c2ccc3oc(=O)nc-3[n-]2)C1	ZINC001031251751	816894517	/nfs/dbraw/zinc/89/45/17/816894517.db2.gz	XMCWXHKGAUXZOY-UHFFFAOYSA-N	-1	0	274.280	0.528	20	30		CCEDRM
CC(C)NC(=O)C(C#N)=C([O-])c1ccc(C(N)=O)cc1	ZINC000130674126	817185161	/nfs/dbraw/zinc/18/51/61/817185161.db2.gz	FWIVLSIKYWBCPA-LLVKDONJSA-N	-1	0	273.292	0.633	20	30		CCEDRM
C#CC[C@H](NC(=O)[C@@H]1CC12CCOCC2)C(=O)[O-]	ZINC000709667880	819794966	/nfs/dbraw/zinc/79/49/66/819794966.db2.gz	QBXBCYCPFGPNCM-UWVGGRQHSA-N	-1	0	251.282	0.396	20	30		CCEDRM
C=CC[C@H](NC(=O)c1nnn(C(C)C)c1C)C(=O)[O-]	ZINC001119643639	821406833	/nfs/dbraw/zinc/40/68/33/821406833.db2.gz	FDLZGWFFORGVTF-VIFPVBQESA-N	-1	0	266.301	0.927	20	30		CCEDRM
CC(C)(C)C#CC(=O)N1CCC(c2nnn[n-]2)CC1	ZINC000827916141	821708775	/nfs/dbraw/zinc/70/87/75/821708775.db2.gz	DILXILJFQKHXST-UHFFFAOYSA-N	-1	0	261.329	0.955	20	30		CCEDRM
C[C@@H]1C[C@@H](C(=O)[N-]S(=O)(=O)CC2(C#N)CC2)CCC1=O	ZINC000793198656	837404005	/nfs/dbraw/zinc/40/40/05/837404005.db2.gz	ZJGJGZORTKGNLX-ZJUUUORDSA-N	-1	0	298.364	0.741	20	30		CCEDRM
N#CC1(CS(=O)(=O)[N-]C(=O)Cc2ccco2)CC1	ZINC000793197393	837402327	/nfs/dbraw/zinc/40/23/27/837402327.db2.gz	PMEUYSHWLFXTGU-UHFFFAOYSA-N	-1	0	268.294	0.572	20	30		CCEDRM
Cc1cc(C(=O)[N-]S(=O)(=O)CC2(C#N)CC2)c(C)[nH]1	ZINC000793204112	837407537	/nfs/dbraw/zinc/40/75/37/837407537.db2.gz	OSOXINQDWJIBQG-UHFFFAOYSA-N	-1	0	281.337	0.995	20	30		CCEDRM
C[C@@H](CNc1nccnc1C#N)NC(=O)c1cnc[nH]c1=O	ZINC001108587113	836481099	/nfs/dbraw/zinc/48/10/99/836481099.db2.gz	MTDDDWVLQHVBNS-QMMMGPOBSA-N	-1	0	299.294	0.074	20	30		CCEDRM
C=CC(=O)NCCNC(=O)CCC(=O)C1=CC=C[CH]1	ZINC001184246370	844188564	/nfs/dbraw/zinc/18/85/64/844188564.db2.gz	RHKGGHRTYLOGEJ-UHFFFAOYSA-N	-1	0	261.301	0.455	20	30		CCEDRM
C=C(CC(=O)OCCCC)C(=O)NCc1n[nH]c(=O)[n-]1	ZINC001184313995	844200055	/nfs/dbraw/zinc/20/00/55/844200055.db2.gz	WMEGGECYPDWERB-UHFFFAOYSA-N	-1	0	282.300	0.416	20	30		CCEDRM
N#C[C@H](Nc1ncc(Cl)cc1C(=O)[O-])C(N)=O	ZINC001170536929	837988843	/nfs/dbraw/zinc/98/88/43/837988843.db2.gz	AJJFOSLAWOGNAH-LURJTMIESA-N	-1	0	254.633	0.223	20	30		CCEDRM
O=C(CCS)Nc1ccc2c(c1)S(=O)(=O)[N-]C2=O	ZINC001143985205	839904059	/nfs/dbraw/zinc/90/40/59/839904059.db2.gz	BJOJIMAQAHLNMK-UHFFFAOYSA-N	-1	0	286.334	0.377	20	30		CCEDRM
C=C(C(=O)N[C@@H]1SC(=O)[N-]C1=O)C(F)(F)F	ZINC001144213513	839976483	/nfs/dbraw/zinc/97/64/83/839976483.db2.gz	SHUOXMVSRNQAES-RXMQYKEDSA-N	-1	0	254.189	0.530	20	30		CCEDRM
O=C(C=Cc1ccc(F)cc1)C(=O)Nc1nnn[n-]1	ZINC001147751588	840683029	/nfs/dbraw/zinc/68/30/29/840683029.db2.gz	CFVVRHAHXOGSGD-UTCJRWHESA-N	-1	0	261.216	0.560	20	30		CCEDRM
CC(C)[C@@]1(C)C[C@@H]1Nc1[n-]c(=O)n(C)c(=O)c1C#N	ZINC001186661706	844587400	/nfs/dbraw/zinc/58/74/00/844587400.db2.gz	IQLKCOXDIWPFCJ-TVQRCGJNSA-N	-1	0	262.313	0.792	20	30		CCEDRM
Cn1cnc([N-]S(=O)(=O)c2ccco2)c1C#N	ZINC001186820146	844604369	/nfs/dbraw/zinc/60/43/69/844604369.db2.gz	LWKCBSUPUAEEGZ-UHFFFAOYSA-N	-1	0	252.255	0.686	20	30		CCEDRM
Cc1n[nH]c(C(=O)NCCNc2ccc(C#N)cn2)c1[O-]	ZINC001093585366	841352529	/nfs/dbraw/zinc/35/25/29/841352529.db2.gz	JFWOJSQVZPMZFN-UHFFFAOYSA-N	-1	0	286.295	0.532	20	30		CCEDRM
CCCn1nc(C)cc1NC(=N[O-])c1nonc1N	ZINC001175799229	842277745	/nfs/dbraw/zinc/27/77/45/842277745.db2.gz	MSTINAUJMZEPKG-UHFFFAOYSA-N	-1	0	265.277	0.815	20	30		CCEDRM
C#Cc1cnc(Nc2cnn(CC(=O)[O-])c2)c(C#C)n1	ZINC001176264473	842346380	/nfs/dbraw/zinc/34/63/80/842346380.db2.gz	DULIVPHWSWTBES-UHFFFAOYSA-N	-1	0	267.248	0.464	20	30		CCEDRM
N=C(c1nonc1N)N([O-])C(=O)C(F)(F)c1ccccn1	ZINC001177296517	842536297	/nfs/dbraw/zinc/53/62/97/842536297.db2.gz	ITTIOFNTMNIHMO-UHFFFAOYSA-N	-1	0	298.209	0.382	20	30		CCEDRM
Cc1cc(C#N)c(=O)[n-]c1C(=O)N[C@]12C[C@H]1COC2	ZINC001178065262	842742063	/nfs/dbraw/zinc/74/20/63/842742063.db2.gz	DHTBHBVKBGFNHY-ZANVPECISA-N	-1	0	259.265	0.486	20	30		CCEDRM
N#C[C@@H]1CN(C(=O)C2(C(=O)[O-])CCCCC2)CCO1	ZINC001180438180	843167225	/nfs/dbraw/zinc/16/72/25/843167225.db2.gz	JQYMABYAWANHFZ-SNVBAGLBSA-N	-1	0	266.297	0.772	20	30		CCEDRM
C#CC(C)(C)C(=O)NC(=N)SCCS(=O)(=O)[O-]	ZINC001182639059	843870763	/nfs/dbraw/zinc/87/07/63/843870763.db2.gz	VWXAQWCVUBJVNP-UHFFFAOYSA-N	-1	0	278.355	0.318	20	30		CCEDRM
Cc1oncc1S(=O)(=O)[N-]c1c(C#N)ncn1C	ZINC001187338253	844699270	/nfs/dbraw/zinc/69/92/70/844699270.db2.gz	WVVVSNXECQFVGC-UHFFFAOYSA-N	-1	0	267.270	0.389	20	30		CCEDRM
Cc1noc([N-]S(=O)(=O)c2c[nH]cn2)c1C#N	ZINC001187723831	844750024	/nfs/dbraw/zinc/75/00/24/844750024.db2.gz	ALEGAEWPPIQKOF-UHFFFAOYSA-N	-1	0	253.243	0.379	20	30		CCEDRM
N#C[C@@H]1CCCN(S(=O)(=O)c2ncc[n-]2)CC1	ZINC001190707933	845459256	/nfs/dbraw/zinc/45/92/56/845459256.db2.gz	SITRLIKAIRGXOE-SECBINFHSA-N	-1	0	254.315	0.724	20	30		CCEDRM
N#Cc1cncc([N-]S(=O)(=O)c2ccncc2)n1	ZINC001190854829	845523608	/nfs/dbraw/zinc/52/36/08/845523608.db2.gz	WJUJJSAFDCCDNP-UHFFFAOYSA-N	-1	0	261.266	0.544	20	30		CCEDRM
COC(=O)n1ncc(C#N)c1[N-]C(=O)c1ncon1	ZINC001192029372	845775738	/nfs/dbraw/zinc/77/57/38/845775738.db2.gz	VGBDJZSKHANYMI-UHFFFAOYSA-N	-1	0	262.185	0.005	20	30		CCEDRM
CCOc1ccc(S(=O)(=O)N[C@@H](C)C#N)cc1C(=O)[O-]	ZINC001192669982	845889673	/nfs/dbraw/zinc/88/96/73/845889673.db2.gz	NPQNPOYUAPEGPH-QMMMGPOBSA-N	-1	0	298.320	0.974	20	30		CCEDRM
COCCOc1cc([N-]S(=O)(=O)CC#N)ccn1	ZINC001192951739	845934577	/nfs/dbraw/zinc/93/45/77/845934577.db2.gz	PLLGKEQVVJESCY-UHFFFAOYSA-N	-1	0	271.298	0.372	20	30		CCEDRM
CCOC(=O)c1scnc1[N-]S(=O)(=O)CC#N	ZINC001192935086	845940423	/nfs/dbraw/zinc/94/04/23/845940423.db2.gz	IBWKYYROJPRIBN-UHFFFAOYSA-N	-1	0	275.311	0.585	20	30		CCEDRM
COC(=O)c1c(Cl)nccc1[N-]S(=O)(=O)CC#N	ZINC001192938960	845941522	/nfs/dbraw/zinc/94/15/22/845941522.db2.gz	JMBJXHYVGZFIQH-UHFFFAOYSA-N	-1	0	289.700	0.787	20	30		CCEDRM
COC(=O)c1ccsc1[N-]S(=O)(=O)CC#N	ZINC001192935387	845941969	/nfs/dbraw/zinc/94/19/69/845941969.db2.gz	PRAGQEIMJKZDQD-UHFFFAOYSA-N	-1	0	260.296	0.800	20	30		CCEDRM
COC(=O)c1ccc([N-]S(=O)(=O)CC#N)cn1	ZINC001192935541	845942203	/nfs/dbraw/zinc/94/22/03/845942203.db2.gz	WXFYLNRCKIXJOK-UHFFFAOYSA-N	-1	0	255.255	0.133	20	30		CCEDRM
COC(=O)c1ccc([N-]S(=O)(=O)CC#N)c(C#N)c1	ZINC001192985395	845945288	/nfs/dbraw/zinc/94/52/88/845945288.db2.gz	CQUHVMKVDIQEKA-UHFFFAOYSA-N	-1	0	279.277	0.610	20	30		CCEDRM
N#CCS(=O)(=O)[N-]c1ccc2nc[nH]c(=O)c2c1	ZINC001192972370	845957146	/nfs/dbraw/zinc/95/71/46/845957146.db2.gz	UWGUYWFKQVAFHZ-UHFFFAOYSA-N	-1	0	264.266	0.601	20	30		CCEDRM
COc1cccc(OC)c1[N-]S(=O)(=O)CC#N	ZINC001192972244	845957647	/nfs/dbraw/zinc/95/76/47/845957647.db2.gz	PRGVBFVDZIMKLS-UHFFFAOYSA-N	-1	0	256.283	0.969	20	30		CCEDRM
COC(=O)c1ccc([N-]S(=O)(=O)CC#N)cc1F	ZINC001192978727	845961545	/nfs/dbraw/zinc/96/15/45/845961545.db2.gz	CMYLSCGENWQJFY-UHFFFAOYSA-N	-1	0	272.257	0.878	20	30		CCEDRM
C[C@@H](C#N)S(=O)(=O)[N-]c1ccsc1C(N)=O	ZINC001193104840	845978371	/nfs/dbraw/zinc/97/83/71/845978371.db2.gz	NKWUKTWSGPYBOU-YFKPBYRVSA-N	-1	0	259.312	0.501	20	30		CCEDRM
C[C@@H](C#N)S(=O)(=O)[N-]c1c(Cl)nccc1C(N)=O	ZINC001193105224	845979002	/nfs/dbraw/zinc/97/90/02/845979002.db2.gz	SWDQZECHWMEAJG-YFKPBYRVSA-N	-1	0	288.716	0.488	20	30		CCEDRM
COc1ncnc(Cl)c1[N-]S(=O)(=O)[C@H](C)C#N	ZINC001193104282	845979065	/nfs/dbraw/zinc/97/90/65/845979065.db2.gz	GZYFEDHKBXAZOI-RXMQYKEDSA-N	-1	0	276.705	0.792	20	30		CCEDRM
COc1cnc(Cl)c([N-]S(=O)(=O)[C@@H](C)C#N)n1	ZINC001193111739	845981502	/nfs/dbraw/zinc/98/15/02/845981502.db2.gz	KTLJYRDSPAFEIU-YFKPBYRVSA-N	-1	0	276.705	0.792	20	30		CCEDRM
COC(=O)c1ccc([N-]S(=O)(=O)[C@@H](C)C#N)cc1O	ZINC001193146008	846005341	/nfs/dbraw/zinc/00/53/41/846005341.db2.gz	FPMIXPZCUMOKLV-ZETCQYMHSA-N	-1	0	284.293	0.833	20	30		CCEDRM
COc1cccc(CO)c1[N-]S(=O)(=O)[C@@H](C)C#N	ZINC001193149266	846006702	/nfs/dbraw/zinc/00/67/02/846006702.db2.gz	MSPJWFQLJPGSPD-QMMMGPOBSA-N	-1	0	270.310	0.841	20	30		CCEDRM
COC(=O)c1ccc(O)cc1[N-]S(=O)(=O)[C@@H](C)C#N	ZINC001193161524	846009567	/nfs/dbraw/zinc/00/95/67/846009567.db2.gz	QTNWCLPSEJKBPO-ZETCQYMHSA-N	-1	0	284.293	0.833	20	30		CCEDRM
C#Cc1cccnc1[N-]S(=O)(=O)C[C@H]1CCCO1	ZINC001193205660	846018597	/nfs/dbraw/zinc/01/85/97/846018597.db2.gz	LFIUMWZTHZPVQP-LLVKDONJSA-N	-1	0	266.322	0.984	20	30		CCEDRM
Cc1noc(NC(=O)c2ccc([O-])c(C#N)c2)c1C(N)=O	ZINC001193499638	846093719	/nfs/dbraw/zinc/09/37/19/846093719.db2.gz	SYKHSSJGRQRZDU-UHFFFAOYSA-N	-1	0	286.247	0.912	20	30		CCEDRM
N#Cc1cc(C(=O)Nc2c(N)[nH]c(=O)[nH]c2=O)ccc1[O-]	ZINC001193498869	846094275	/nfs/dbraw/zinc/09/42/75/846094275.db2.gz	MMWJUEKUODPUGJ-UHFFFAOYSA-N	-1	0	287.235	0.300	20	30		CCEDRM
N#Cc1cc(C(=O)N2CCOC[C@@H]2C#N)ccc1[O-]	ZINC001193504466	846101164	/nfs/dbraw/zinc/10/11/64/846101164.db2.gz	RYSZJKQPMIPYPH-NSHDSACASA-N	-1	0	257.249	0.628	20	30		CCEDRM
N#Cc1cc(C(=O)N[C@H]2CCCNC(=O)C2)ccc1[O-]	ZINC001193519430	846102652	/nfs/dbraw/zinc/10/26/52/846102652.db2.gz	ZHRAVROXAOPQON-NSHDSACASA-N	-1	0	273.292	0.662	20	30		CCEDRM
N#Cc1cccc(C(=O)N2CC[C@H](O)[C@@H](CO)C2)c1[O-]	ZINC001193642770	846134887	/nfs/dbraw/zinc/13/48/87/846134887.db2.gz	PFZGJKQREGAUED-PWSUYJOCSA-N	-1	0	276.292	0.079	20	30		CCEDRM
CC1(C#N)CN(Cc2cc(=O)n3[n-]cc(C#N)c3n2)C1	ZINC001193942358	846191568	/nfs/dbraw/zinc/19/15/68/846191568.db2.gz	MRKGXZROLOTPLF-UHFFFAOYSA-N	-1	0	268.280	0.652	20	30		CCEDRM
Cn1[n-]c(C(=O)NC=CC(=O)C(F)(F)F)cc1=O	ZINC001194212736	846243396	/nfs/dbraw/zinc/24/33/96/846243396.db2.gz	XBPZYGPWSMRWJT-NSCUHMNNSA-N	-1	0	263.175	0.501	20	30		CCEDRM
COC(=O)c1cc(C(=O)Nc2onc(C)c2C#N)n[n-]1	ZINC001194279172	846244439	/nfs/dbraw/zinc/24/44/39/846244439.db2.gz	RAMFQECVSBZXKT-UHFFFAOYSA-N	-1	0	275.224	0.617	20	30		CCEDRM
N#Cc1ccc(C(=O)Nc2ncnc3n[nH]nc32)c([O-])c1	ZINC001195733550	846604660	/nfs/dbraw/zinc/60/46/60/846604660.db2.gz	PZMPKPSADFWANC-UHFFFAOYSA-N	-1	0	281.235	0.577	20	30		CCEDRM
N#Cc1ccc(C(=O)n2c(=N)c(N)cnc2Cl)c([O-])c1	ZINC001195733893	846604912	/nfs/dbraw/zinc/60/49/12/846604912.db2.gz	YEHBJSAZMMVDIO-UHFFFAOYSA-N	-1	0	289.682	0.864	20	30		CCEDRM
CCOC(=O)[C@H](C#N)NC(=O)c1ccc(C#N)cc1[O-]	ZINC001195764710	846613538	/nfs/dbraw/zinc/61/35/38/846613538.db2.gz	OJIUHYCUDAUWQW-JTQLQIEISA-N	-1	0	273.248	0.449	20	30		CCEDRM
COC(=O)[C@@]1(F)CCN(C(=O)c2ccc(C#N)cc2[O-])C1	ZINC001195741798	846619375	/nfs/dbraw/zinc/61/93/75/846619375.db2.gz	ZSKNYNZQDXOAFG-CQSZACIVSA-N	-1	0	292.266	0.991	20	30		CCEDRM
N#C[C@@H](NC(=S)Nc1ccc(C(=O)[O-])cc1)C(N)=O	ZINC001197137926	846841174	/nfs/dbraw/zinc/84/11/74/846841174.db2.gz	ZAHHDQSIRZXGCH-MRVPVSSYSA-N	-1	0	278.293	0.049	20	30		CCEDRM
Cc1ncc(S(=O)(=O)[N-]c2cccc(C#N)n2)n1C	ZINC001198356397	847102251	/nfs/dbraw/zinc/10/22/51/847102251.db2.gz	RDBJCKHUQWLGEJ-UHFFFAOYSA-N	-1	0	277.309	0.796	20	30		CCEDRM
N#CC1(CNS(=O)(=O)c2ccccc2C(=O)[O-])CC1	ZINC001198801693	847173996	/nfs/dbraw/zinc/17/39/96/847173996.db2.gz	NUAUYXMTCWMBAD-UHFFFAOYSA-N	-1	0	280.305	0.967	20	30		CCEDRM
C=CCSc1ncccc1C(=O)N[C@@H]1CO[N-]C1=O	ZINC001199739079	847415487	/nfs/dbraw/zinc/41/54/87/847415487.db2.gz	SPEVGDHLLUAIKB-SECBINFHSA-N	-1	0	279.321	0.520	20	30		CCEDRM
C[NH+](C)CC#CCNC(=O)c1c(O)cccc1F	ZINC000717679673	848282611	/nfs/dbraw/zinc/28/26/11/848282611.db2.gz	NNKVVHBORNUHFY-UHFFFAOYSA-N	-1	0	250.273	0.826	20	30		CCEDRM
C#CC[C@H](CO)NC(=O)[C@H]1CCC[C@H](C(=O)[O-])C1	ZINC000717711760	848286493	/nfs/dbraw/zinc/28/64/93/848286493.db2.gz	UCCWDRWHFZRDKN-GARJFASQSA-N	-1	0	253.298	0.378	20	30		CCEDRM
C#CC[C@H](CO)NC(=O)CC1(CC(=O)[O-])CCCC1	ZINC000717718903	848287312	/nfs/dbraw/zinc/28/73/12/848287312.db2.gz	FTDFPWJUNHNMHS-LLVKDONJSA-N	-1	0	267.325	0.912	20	30		CCEDRM
O=S(=O)(NCC#CCO)c1cnc(Cl)c(F)c1	ZINC000718133879	848578671	/nfs/dbraw/zinc/57/86/71/848578671.db2.gz	MDBZQADRZVXPCL-UHFFFAOYSA-N	-1	0	278.692	0.148	20	30		CCEDRM
CCN(CC(=O)[O-])S(=O)(=O)c1cc(F)cc(C#N)c1	ZINC000718535101	849266811	/nfs/dbraw/zinc/26/68/11/849266811.db2.gz	XRRWXKVVUJYGAL-UHFFFAOYSA-N	-1	0	286.284	0.793	20	30		CCEDRM
N#Cc1cc(F)cc(S(=O)(=O)N2CC[C@@H](C(=O)[O-])C2)c1	ZINC000718637983	849271138	/nfs/dbraw/zinc/27/11/38/849271138.db2.gz	ROFXAFSNNODMMD-SECBINFHSA-N	-1	0	298.295	0.793	20	30		CCEDRM
C=CCC1(C(=O)[O-])CN(S(=O)(=O)C(F)F)C1	ZINC000722861671	850164588	/nfs/dbraw/zinc/16/45/88/850164588.db2.gz	GNPWQPOULMYODB-UHFFFAOYSA-N	-1	0	255.242	0.502	20	30		CCEDRM
C=CCS(=O)(=O)[N-]c1cc(NC(C)=O)ncn1	ZINC001259922915	851650679	/nfs/dbraw/zinc/65/06/79/851650679.db2.gz	LFVKNYZBNYXGID-UHFFFAOYSA-N	-1	0	256.287	0.363	20	30		CCEDRM
Cc1ncc(C#N)cc1[N-]S(=O)(=O)[C@H](C)C#N	ZINC001193107707	900032512	/nfs/dbraw/zinc/03/25/12/900032512.db2.gz	ZXWXQNNETGCTQG-SSDOTTSWSA-N	-1	0	250.283	0.915	20	30		CCEDRM
C#CC[C@@H](NC(=O)CCCCCNC(C)=O)C(=O)[O-]	ZINC000149566717	853986373	/nfs/dbraw/zinc/98/63/73/853986373.db2.gz	YHANAHZAIRLRMB-LLVKDONJSA-N	-1	0	268.313	0.276	20	30		CCEDRM
C#CC[C@@H](NC(=O)c1cc(OC)ccc1OC)C(=O)[O-]	ZINC000149589493	853989018	/nfs/dbraw/zinc/98/90/18/853989018.db2.gz	HPRFISRJDBQZRQ-LLVKDONJSA-N	-1	0	277.276	0.910	20	30		CCEDRM
Cn1ncc2c1ncn(N=Cc1ccc(C(=O)[O-])[nH]1)c2=O	ZINC001116207445	855731248	/nfs/dbraw/zinc/73/12/48/855731248.db2.gz	XTGBOPBHSCJVCU-UHFFFAOYSA-N	-1	0	286.251	0.039	20	30		CCEDRM
C[C@@H](CC#N)C(=O)[N-]S(=O)(=O)C[C@H]1CCOC1	ZINC001118542278	856332713	/nfs/dbraw/zinc/33/27/13/856332713.db2.gz	QJIYYRFJUCCXMR-IUCAKERBSA-N	-1	0	260.315	0.019	20	30		CCEDRM
C=CC[C@H](NC(=O)[C@H]1CCc2n[nH]cc2C1)C(=O)[O-]	ZINC001119581127	856753466	/nfs/dbraw/zinc/75/34/66/856753466.db2.gz	WZBMMDXTJOHSJS-KWQFWETISA-N	-1	0	263.297	0.660	20	30		CCEDRM
C#CCCN1CCN(C(=O)c2cc(C(=O)[O-])on2)CC1	ZINC001119587025	856757914	/nfs/dbraw/zinc/75/79/14/856757914.db2.gz	MBXXHZPVPPDGKF-UHFFFAOYSA-N	-1	0	277.280	0.154	20	30		CCEDRM
COc1cc(C=Nn2c(=O)[n-][nH]c2=O)ccc1F	ZINC001324428915	912842610	/nfs/dbraw/zinc/84/26/10/912842610.db2.gz	BGDKYEJFDOMKCQ-UHFFFAOYSA-N	-1	0	252.205	0.719	20	30		CCEDRM
C=CC[C@@H]1CCN1C(=O)CCCn1c(=O)[n-][nH]c1=O	ZINC000890550439	891415192	/nfs/dbraw/zinc/41/51/92/891415192.db2.gz	XNIWOGAVNRHJRG-SECBINFHSA-N	-1	0	266.301	0.647	20	30		CCEDRM
CC#CCS(=O)(=O)[N-]C(=O)[C@H]1CCC[C@H](F)C1	ZINC001345658725	891455373	/nfs/dbraw/zinc/45/53/73/891455373.db2.gz	ZBKSDXONULYIJL-UWVGGRQHSA-N	-1	0	261.318	0.984	20	30		CCEDRM
Cc1cc(C#N)c(=O)[n-]c1C(=O)NC1CC(CCO)C1	ZINC001363892900	893844253	/nfs/dbraw/zinc/84/42/53/893844253.db2.gz	AALOWISAWARXMD-UHFFFAOYSA-N	-1	0	275.308	0.858	20	30		CCEDRM
C=C[C@@H](C)O[N-]C(=O)C(=O)Nc1ccc(=O)n(CC)c1	ZINC001326800701	914186754	/nfs/dbraw/zinc/18/67/54/914186754.db2.gz	NHYPVHXFNLAPNG-SECBINFHSA-N	-1	0	279.296	0.429	20	30		CCEDRM
C[C@H](C#N)S(=O)(=O)[N-]c1ccc(Cl)nc1C(N)=O	ZINC001193106775	900031457	/nfs/dbraw/zinc/03/14/57/900031457.db2.gz	XNTFXAGANWUWFD-RXMQYKEDSA-N	-1	0	288.716	0.488	20	30		CCEDRM
Cc1ccc2c(c1[N-]S(=O)(=O)[C@H](C)C#N)CNC2=O	ZINC001193140196	900034267	/nfs/dbraw/zinc/03/42/67/900034267.db2.gz	UUQIVLZJKQOOOL-MRVPVSSYSA-N	-1	0	279.321	0.892	20	30		CCEDRM
C=CCN(CC(=O)OCC)C(=O)CCCC(=O)[O-]	ZINC001327208702	914416356	/nfs/dbraw/zinc/41/63/56/914416356.db2.gz	NDQHOHXVQWFUKZ-UHFFFAOYSA-N	-1	0	257.286	0.819	20	30		CCEDRM
C#CCOc1cccc(NC(=O)Cn2c(=O)[n-][nH]c2=O)c1	ZINC001293382210	901002902	/nfs/dbraw/zinc/00/29/02/901002902.db2.gz	OSSSBYGUOSCTED-UHFFFAOYSA-N	-1	0	288.263	0.340	20	30		CCEDRM
CC(C)=CCCNC(=O)CCn1cc(C#N)c(=O)[n-]c1=O	ZINC001296363313	901124132	/nfs/dbraw/zinc/12/41/32/901124132.db2.gz	ZGJXKLGNDLGMSV-UHFFFAOYSA-N	-1	0	290.323	0.683	20	30		CCEDRM
Cc1cc(C#N)c(=O)[n-]c1C(=O)N[C@H](C)C[S@](C)=O	ZINC001447627057	901294995	/nfs/dbraw/zinc/29/49/95/901294995.db2.gz	DMQSMHAXQVCWQC-YLVJLNSGSA-N	-1	0	281.337	0.464	20	30		CCEDRM
N#CCC(=O)N[C@@H](Cc1ccccc1)c1n[nH]c(=O)[n-]1	ZINC001412466179	901744711	/nfs/dbraw/zinc/74/47/11/901744711.db2.gz	UNEXQSSLNJBLEQ-JTQLQIEISA-N	-1	0	271.280	0.824	20	30		CCEDRM
N#C[C@H]1CC[C@@H](NC(=O)C(=O)[N-]OCCC(F)(F)F)C1	ZINC001326718411	901873417	/nfs/dbraw/zinc/87/34/17/901873417.db2.gz	JSFXPNBDNPMTJA-JGVFFNPUSA-N	-1	0	293.245	0.795	20	30		CCEDRM
Cc1cc(NC(=O)CCc2nnn[n-]2)nn1CCC#N	ZINC001412784559	902122144	/nfs/dbraw/zinc/12/21/44/902122144.db2.gz	QHYOINADXXZGCS-UHFFFAOYSA-N	-1	0	274.288	0.190	20	30		CCEDRM
Cc1cc(C#N)c(=O)[n-]c1C(=O)NCC1(CO)CCC1	ZINC001412820168	902146235	/nfs/dbraw/zinc/14/62/35/902146235.db2.gz	DWESBBDDZXCSDJ-UHFFFAOYSA-N	-1	0	275.308	0.860	20	30		CCEDRM
N#Cc1c[n-]c(=O)n(CC(=O)c2ccc(Cl)cc2)c1=O	ZINC001412919339	902356816	/nfs/dbraw/zinc/35/68/16/902356816.db2.gz	BSWJLVQHLIIXDX-UHFFFAOYSA-N	-1	0	289.678	0.945	20	30		CCEDRM
Cn1cnnc1S(=O)(=O)[N-]c1cccc(CC#N)n1	ZINC001413457571	902960601	/nfs/dbraw/zinc/96/06/01/902960601.db2.gz	INDCCTHUVHGBFJ-UHFFFAOYSA-N	-1	0	278.297	0.077	20	30		CCEDRM
COC[C@H](NC(=O)c1cccc(CC#N)c1)c1nnn[n-]1	ZINC001413550897	903040146	/nfs/dbraw/zinc/04/01/46/903040146.db2.gz	GBOBEAPITLZUNH-NSHDSACASA-N	-1	0	286.295	0.383	20	30		CCEDRM
C[C@H](CNC(=O)C#CC(C)(C)C)N(C)Cc1n[nH]c(=O)[n-]1	ZINC001282384742	904466160	/nfs/dbraw/zinc/46/61/60/904466160.db2.gz	QBSBTBNZXNPKRM-SNVBAGLBSA-N	-1	0	293.371	0.496	20	30		CCEDRM
C#Cc1cncc(C(=O)N2CCC(O)(C(=O)[O-])CC2)c1	ZINC001332613975	904515700	/nfs/dbraw/zinc/51/57/00/904515700.db2.gz	SBSATXVREIPHTB-UHFFFAOYSA-N	-1	0	274.276	0.115	20	30		CCEDRM
C=CCC[C@H](NC(=O)CO[C@@H]1CCOC1)C(=O)[O-]	ZINC001333334585	905945157	/nfs/dbraw/zinc/94/51/57/905945157.db2.gz	LDKDFQDYRAODCQ-ZJUUUORDSA-N	-1	0	257.286	0.328	20	30		CCEDRM
C=CCC[C@@H](NC(=O)CO[C@H]1CCOC1)C(=O)[O-]	ZINC001333334566	905945069	/nfs/dbraw/zinc/94/50/69/905945069.db2.gz	LDKDFQDYRAODCQ-VHSXEESVSA-N	-1	0	257.286	0.328	20	30		CCEDRM
C=CCNC(=O)COC(=O)CCc1c(C)nc[nH]c1=O	ZINC001337343719	921237699	/nfs/dbraw/zinc/23/76/99/921237699.db2.gz	FMCNWQZAMVWKGC-UHFFFAOYSA-N	-1	0	279.296	0.269	20	30		CCEDRM
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N(C)C[C@@H](C)c1nnn[n-]1	ZINC001296064412	906857595	/nfs/dbraw/zinc/85/75/95/906857595.db2.gz	QVBBFQLDFVKRDB-VWYCJHECSA-N	-1	0	279.344	0.743	20	30		CCEDRM
C=C[C@H]1CCCCN1c1nc2c(nc([O-])n(C)c2=O)[nH]1	ZINC001337854902	921299284	/nfs/dbraw/zinc/29/92/84/921299284.db2.gz	SLHVZTDDRLDMAZ-QMMMGPOBSA-N	-1	0	275.312	0.907	20	30		CCEDRM
CC#CCS(=O)(=O)[N-]C(=O)C[C@H]1CCC2(CCC2)O1	ZINC001338060210	921354308	/nfs/dbraw/zinc/35/43/08/921354308.db2.gz	WJHVBCVUZBRAGF-LLVKDONJSA-N	-1	0	285.365	0.948	20	30		CCEDRM
N#Cc1cn(CC(=O)NCCC2CC=CC2)c(=O)[n-]c1=O	ZINC001303418295	908082755	/nfs/dbraw/zinc/08/27/55/908082755.db2.gz	CSFBILKUKLEMHN-UHFFFAOYSA-N	-1	0	288.307	0.293	20	30		CCEDRM
CN(CC#N)C(=O)c1c[nH]c2nc(=O)[n-]c(=O)c-2c1	ZINC001338230408	921402505	/nfs/dbraw/zinc/40/25/05/921402505.db2.gz	REHZALGFNUUIFH-UHFFFAOYSA-N	-1	0	259.225	0.032	20	30		CCEDRM
C#CC[NH2+]Cc1cc(=O)[nH]c(CNC(=O)[C@@H]2C[C@H]2C)n1	ZINC001316714950	908692493	/nfs/dbraw/zinc/69/24/93/908692493.db2.gz	DVMOVXOZQGKAKS-MWLCHTKSSA-N	-1	0	274.324	0.177	20	30		CCEDRM
CON=Cc1ccc(C(=O)[N-]S(=O)(=O)C(F)F)cc1	ZINC001317878921	909531308	/nfs/dbraw/zinc/53/13/08/909531308.db2.gz	ZVEWYYUSCRWPFJ-UHFFFAOYSA-N	-1	0	292.263	0.949	20	30		CCEDRM
C=CCn1c(-c2cc(=O)[nH][n-]2)nnc1N1C[C@@H](C)C[C@@H]1C	ZINC001339053872	921638908	/nfs/dbraw/zinc/63/89/08/921638908.db2.gz	CKIMCNQNSGZPHL-UWVGGRQHSA-N	-1	0	288.355	0.923	20	30		CCEDRM
C=CCCOCC(=O)[N-]S(=O)(=O)N(CC)CC	ZINC001322245675	911726841	/nfs/dbraw/zinc/72/68/41/911726841.db2.gz	DAAWFINBVKDKAH-UHFFFAOYSA-N	-1	0	264.347	0.282	20	30		CCEDRM
C=CCN(CCOC)C(=O)c1c[n-]n2c1nccc2=O	ZINC001328570070	915283767	/nfs/dbraw/zinc/28/37/67/915283767.db2.gz	JMCQFZATNQMCEX-UHFFFAOYSA-N	-1	0	276.296	0.297	20	30		CCEDRM
C[C@@H]1CN(C(=O)C(=O)NCCCCC#N)CC[C@H]1C(=O)[O-]	ZINC001329063058	915637668	/nfs/dbraw/zinc/63/76/68/915637668.db2.gz	UFTRFHYPYYLQNU-GHMZBOCLSA-N	-1	0	295.339	0.366	20	30		CCEDRM
Cn1ncc(C(=O)[O-])c1C=NNC1CCOCC1	ZINC001329933176	916287726	/nfs/dbraw/zinc/28/77/26/916287726.db2.gz	IURAHFSIWPDDQB-UHFFFAOYSA-N	-1	0	252.274	0.221	20	30		CCEDRM
Cc1nnc([S-])n(N=Cc2nccn2C(C)C)c1=O	ZINC001330006176	916351954	/nfs/dbraw/zinc/35/19/54/916351954.db2.gz	SKJIZHHXQCZWCK-UHFFFAOYSA-N	-1	0	278.341	0.895	20	30		CCEDRM
C=C[C@H](COC)NC(=O)c1ccc2oc(=O)nc-2[n-]1	ZINC001330788783	916868227	/nfs/dbraw/zinc/86/82/27/916868227.db2.gz	XUUOJDMFWHJHAS-SSDOTTSWSA-N	-1	0	263.253	0.859	20	30		CCEDRM
C#CC[C@@H](CO)NC(=O)c1cc(C#N)c(SC)[n-]c1=O	ZINC001331189175	917168241	/nfs/dbraw/zinc/16/82/41/917168241.db2.gz	MQWRQHKRHHWYCZ-VIFPVBQESA-N	-1	0	291.332	0.495	20	30		CCEDRM
C=CC1CCN(C(=O)C(=O)N[C@H]2C[C@H](C(=O)[O-])C2)CC1	ZINC001331535661	917404643	/nfs/dbraw/zinc/40/46/43/917404643.db2.gz	ICCHMHBMFUTGEY-XYPYZODXSA-N	-1	0	280.324	0.390	20	30		CCEDRM
C=C(C)C[C@H](NC(=O)C[C@@H]1CCS(=O)(=O)C1)C(=O)[O-]	ZINC001331897695	917700084	/nfs/dbraw/zinc/70/00/84/917700084.db2.gz	YTGBTHRMWOKQFX-UWVGGRQHSA-N	-1	0	289.353	0.347	20	30		CCEDRM
C=CCOC[C@H](NCc1c(C)cnn1C)C(=O)[O-]	ZINC001331964194	917760783	/nfs/dbraw/zinc/76/07/83/917760783.db2.gz	WATYXJURRKLFIK-JTQLQIEISA-N	-1	0	253.302	0.474	20	30		CCEDRM
C=CC[C@H](NC(=O)N[C@H](C)c1ccn(C)n1)C(=O)[O-]	ZINC001332490661	918212722	/nfs/dbraw/zinc/21/27/22/918212722.db2.gz	XWOHLNFZTKXGTN-SCZZXKLOSA-N	-1	0	266.301	0.810	20	30		CCEDRM
C=CC[C@@H](NC(=O)Cc1cnn(CC)c1)C(=O)[O-]	ZINC001333332062	918807777	/nfs/dbraw/zinc/80/77/77/918807777.db2.gz	NRKPHHZJGSROJW-SNVBAGLBSA-N	-1	0	251.286	0.591	20	30		CCEDRM
C=CC[C@H](NC(=O)NC[C@@H]1CCO[C@H]1C=C)C(=O)[O-]	ZINC001333333156	918811518	/nfs/dbraw/zinc/81/15/18/918811518.db2.gz	YOEWOTOQUFALMB-DCAQKATOSA-N	-1	0	268.313	0.906	20	30		CCEDRM
C=CCOC[C@@H](NCc1cncn1CC)C(=O)[O-]	ZINC001334025857	919326907	/nfs/dbraw/zinc/32/69/07/919326907.db2.gz	POYMDCNQCQYLSO-LLVKDONJSA-N	-1	0	253.302	0.648	20	30		CCEDRM
C=CC[C@@H](NC(=O)c1cn(CCOC)nc1C)C(=O)[O-]	ZINC001334980556	919880592	/nfs/dbraw/zinc/88/05/92/919880592.db2.gz	JYTLZHXYOGLCOH-LLVKDONJSA-N	-1	0	281.312	0.597	20	30		CCEDRM
C=CC[C@@H](NC(=O)Cn1nnc2c1CCCC2)C(=O)[O-]	ZINC001334981247	919881545	/nfs/dbraw/zinc/88/15/45/919881545.db2.gz	STZGHDUTOODCOD-SNVBAGLBSA-N	-1	0	278.312	0.302	20	30		CCEDRM
C=C(CC)CNC(=O)C(=O)N1C[C@@H](C(=O)[O-])[C@H](C2CC2)C1	ZINC001335170850	919994109	/nfs/dbraw/zinc/99/41/09/919994109.db2.gz	WSRUJYCJYKOCPB-NWDGAFQWSA-N	-1	0	294.351	0.638	20	30		CCEDRM
C#CCN1CCC[C@H]1C(=O)N[C@H]1CC[C@@H](CC(=O)[O-])C1	ZINC001336242438	920681615	/nfs/dbraw/zinc/68/16/15/920681615.db2.gz	FJJAQMPMVORZCV-AGIUHOORSA-N	-1	0	278.352	0.844	20	30		CCEDRM
Cn1c(=O)[n-]c(NC2(C3(C)CC3)CC2)c(C#N)c1=O	ZINC001339740547	921813144	/nfs/dbraw/zinc/81/31/44/921813144.db2.gz	ASZFGPDYYDYPRK-UHFFFAOYSA-N	-1	0	260.297	0.690	20	30		CCEDRM
CC#CCCNC(=O)N[C@H]1CCCCN(CC(=O)[O-])C1=O	ZINC001339853318	921853362	/nfs/dbraw/zinc/85/33/62/921853362.db2.gz	FZDXXWVSKQRROX-NSHDSACASA-N	-1	0	295.339	0.165	20	30		CCEDRM
Cc1nc(C)c(CC(=O)N2CC[C@@](O)(CC#N)C2)c(=O)[nH]1	ZINC001418179669	921874132	/nfs/dbraw/zinc/87/41/32/921874132.db2.gz	TYEFBLLLOSBLNJ-AWEZNQCLSA-N	-1	0	290.323	0.219	20	30		CCEDRM
C=C(C)CCNC(=O)N[C@@H]1CCCCN(CC(=O)[O-])C1=O	ZINC001341258294	922400835	/nfs/dbraw/zinc/40/08/35/922400835.db2.gz	QWUSIHVJBMWHQB-LLVKDONJSA-N	-1	0	297.355	0.718	20	30		CCEDRM
N#CC(C(=O)NC1CC1)=C([O-])c1ccc(-n2ccnc2)nc1	ZINC001341913406	922721928	/nfs/dbraw/zinc/72/19/28/922721928.db2.gz	AKXLDPLIQUXMFL-LBPRGKRZSA-N	-1	0	295.302	0.868	20	30		CCEDRM
Cc1ccc(C([O-])=C(C#N)C(=O)N2CCCC2)nn1	ZINC001341918220	922724526	/nfs/dbraw/zinc/72/45/26/922724526.db2.gz	MGDJJIZXDGVVFG-JTQLQIEISA-N	-1	0	258.281	0.730	20	30		CCEDRM
Cn1nc(C([O-])=C(C#N)C(=O)NC2CC2)cc1C(F)F	ZINC001341948701	922734593	/nfs/dbraw/zinc/73/45/93/922734593.db2.gz	WVVQVEYNMNILGH-ZETCQYMHSA-N	-1	0	282.250	0.959	20	30		CCEDRM
CNC(=O)C(C#N)=C([O-])c1ccc([C@@H]2CCC(=O)N2)cc1	ZINC001341953400	922737620	/nfs/dbraw/zinc/73/76/20/922737620.db2.gz	DQRCEBHTPNQROR-NEPJUHHUSA-N	-1	0	285.303	0.706	20	30		CCEDRM
Cn1c(C#N)ccc1C([O-])=C(C#N)C(=O)NC1CC1	ZINC001342721766	923067458	/nfs/dbraw/zinc/06/74/58/923067458.db2.gz	IFPGUESBUPTVTD-JTQLQIEISA-N	-1	0	256.265	0.498	20	30		CCEDRM
C#CCO[C@H](C)C(=O)C(C#N)=C([O-])c1nccn1C	ZINC001342895066	923126093	/nfs/dbraw/zinc/12/60/93/923126093.db2.gz	NRHHFOAGXLQFJV-NXEZZACHSA-N	-1	0	259.265	0.350	20	30		CCEDRM
N#CC(C(=O)NC1CC1)=C([O-])c1cn(C2CC2)nn1	ZINC001343502275	923351984	/nfs/dbraw/zinc/35/19/84/923351984.db2.gz	WCMDNQZKYFOPKL-SECBINFHSA-N	-1	0	259.269	0.214	20	30		CCEDRM
C=CCNC(=O)C(C#N)=C([O-])c1cnc(C(C)=O)s1	ZINC001343590627	923382947	/nfs/dbraw/zinc/38/29/47/923382947.db2.gz	QQAHXJAKVSWCGO-MRVPVSSYSA-N	-1	0	277.305	0.970	20	30		CCEDRM
Cn1ccnc1C([O-])=C(C#N)C(=O)CCCCC(N)=O	ZINC001344043122	923535744	/nfs/dbraw/zinc/53/57/44/923535744.db2.gz	GTQWGTFTMUAYGL-VIFPVBQESA-N	-1	0	276.296	0.357	20	30		CCEDRM
N#CC1(C(=O)NC[C@H](C(=O)[O-])[C@@H]2CCOC2)CCC1	ZINC001345171225	923821789	/nfs/dbraw/zinc/82/17/89/923821789.db2.gz	PFMVNNFTFYKXAR-ZJUUUORDSA-N	-1	0	266.297	0.534	20	30		CCEDRM
CCn1ncc(C([O-])=C(C#N)C(=O)NC)c1Br	ZINC001346121899	924079943	/nfs/dbraw/zinc/07/99/43/924079943.db2.gz	NLZVDWKOTHWQER-ZCFIWIBFSA-N	-1	0	299.128	0.734	20	30		CCEDRM
COc1c(C([O-])=C(C#N)C(=O)N2CCCC2)cnn1C	ZINC001346199468	924107109	/nfs/dbraw/zinc/10/71/09/924107109.db2.gz	XBVDTQGMANPNNO-VIFPVBQESA-N	-1	0	276.296	0.374	20	30		CCEDRM
COCCNC(=O)C(C#N)=C([O-])c1cc(C)c(C)cn1	ZINC001346229259	924121511	/nfs/dbraw/zinc/12/15/11/924121511.db2.gz	RZEUYLPLPRYNIM-NSHDSACASA-N	-1	0	275.308	0.784	20	30		CCEDRM
COc1cccn2ncc(C([O-])=C(C#N)C(=O)NC3CC3)c12	ZINC001346240405	924128254	/nfs/dbraw/zinc/12/82/54/924128254.db2.gz	TWNMNDKBLBBALX-JTQLQIEISA-N	-1	0	298.302	0.944	20	30		CCEDRM
CCCc1nnc(Sc2[n-]c(=O)n(C)c(=O)c2C#N)o1	ZINC001421078579	924139333	/nfs/dbraw/zinc/13/93/33/924139333.db2.gz	FIUZMOCYMVYSNZ-UHFFFAOYSA-N	-1	0	293.308	0.432	20	30		CCEDRM
N#C[C@H]1CSCCN1C(=O)c1c[n-]ncc1=O	ZINC001346959066	924338699	/nfs/dbraw/zinc/33/86/99/924338699.db2.gz	GHXXLJXKNQSSFS-ZETCQYMHSA-N	-1	0	250.283	0.263	20	30		CCEDRM
Cn1c(=O)[n-]c(NC[C@H]2CCSC2)c(C#N)c1=O	ZINC001348127118	924599455	/nfs/dbraw/zinc/59/94/55/924599455.db2.gz	OTMWTUUQLMNOHZ-SSDOTTSWSA-N	-1	0	266.326	0.110	20	30		CCEDRM
Cn1c(=O)[n-]c(N[C@@H](CCO)C2CCCC2)c(C#N)c1=O	ZINC001413917097	924937927	/nfs/dbraw/zinc/93/79/27/924937927.db2.gz	BWLKGLAGEGNNPZ-NSHDSACASA-N	-1	0	292.339	0.298	20	30		CCEDRM
C#CC[C@@H](NC(=O)c1cn(CCC)nc1C)C(=O)[O-]	ZINC001349943652	925102328	/nfs/dbraw/zinc/10/23/28/925102328.db2.gz	LOYDBJYPWQSEPE-LLVKDONJSA-N	-1	0	263.297	0.808	20	30		CCEDRM
C=CCCC(=O)[N-]S(=O)(=O)C1CCN(C(C)=O)CC1	ZINC001350320772	925171292	/nfs/dbraw/zinc/17/12/92/925171292.db2.gz	FRMKGJZQEWCHKO-UHFFFAOYSA-N	-1	0	288.369	0.410	20	30		CCEDRM
C[C@@H](CNC(=O)CC1(C#N)CCOCC1)C(=O)[O-]	ZINC001350352706	925178943	/nfs/dbraw/zinc/17/89/43/925178943.db2.gz	APQIBTCFARJBDX-VIFPVBQESA-N	-1	0	254.286	0.534	20	30		CCEDRM
N#CC1(C(=O)N2CC([C@@H](F)C(=O)[O-])C2)CCCC1	ZINC001350779052	925276464	/nfs/dbraw/zinc/27/64/64/925276464.db2.gz	WZDBORQGJSQAPL-SECBINFHSA-N	-1	0	254.261	0.951	20	30		CCEDRM
CSc1[n-]c(=O)c(C(=O)NC/C=C/CO)cc1C#N	ZINC001351065034	925354448	/nfs/dbraw/zinc/35/44/48/925354448.db2.gz	XXTDWHFTPKKWSU-NSCUHMNNSA-N	-1	0	279.321	0.659	20	30		CCEDRM
Cc1nocc1C(=O)[N-]S(=O)(=O)CC1(C#N)CC1	ZINC001351520143	925429601	/nfs/dbraw/zinc/42/96/01/925429601.db2.gz	BMWSDSAPZQNCBH-UHFFFAOYSA-N	-1	0	269.282	0.346	20	30		CCEDRM
C=C(C)CO[N-]C(=O)CNC(=O)c1cccc([N+](=O)[O-])c1	ZINC001300219967	925751338	/nfs/dbraw/zinc/75/13/38/925751338.db2.gz	PINKERRSXJYROA-UHFFFAOYSA-N	-1	0	293.279	0.949	20	30		CCEDRM
O=C([N-][C@H](CO)C(F)(F)F)[C@@H](F)C(F)(F)F	ZINC001472230964	925999506	/nfs/dbraw/zinc/99/95/06/925999506.db2.gz	GWWQCBSFMWEUEO-PWNYCUMCSA-N	-1	0	257.105	0.926	20	30		CCEDRM
N#CC1(C(=O)NC2CC(CC(=O)[O-])C2)CCOCC1	ZINC001354073117	926004799	/nfs/dbraw/zinc/00/47/99/926004799.db2.gz	XANRTCHMYYGKJN-UHFFFAOYSA-N	-1	0	266.297	0.676	20	30		CCEDRM
C#CCO[N-]C(=O)COc1ccc(C=O)cc1OC	ZINC001300668924	926139803	/nfs/dbraw/zinc/13/98/03/926139803.db2.gz	KAJVUMOQNRBNCV-UHFFFAOYSA-N	-1	0	263.249	0.568	20	30		CCEDRM
C=CCNC(=O)C(C#N)=C([O-])c1scnc1COC	ZINC001356089104	926342989	/nfs/dbraw/zinc/34/29/89/926342989.db2.gz	WFVRIDQHOKCYFK-QMMMGPOBSA-N	-1	0	279.321	0.914	20	30		CCEDRM
Cn1ccnc1C([O-])=C(C#N)C(=O)[C@H]1C[C@H]2CC(=O)[C@@H]1C2	ZINC001358045332	926625052	/nfs/dbraw/zinc/62/50/52/926625052.db2.gz	IYAUVAYPLRAOPM-ZRUFSTJUSA-N	-1	0	285.303	0.927	20	30		CCEDRM
Cc1ccc(NC(=O)Cn2c(=O)[n-]cc(C#N)c2=O)cc1	ZINC001413930836	926933249	/nfs/dbraw/zinc/93/32/49/926933249.db2.gz	NVSGBSCKAMVFLD-UHFFFAOYSA-N	-1	0	284.275	0.355	20	30		CCEDRM
C=CC[C@@H](NC(=O)c1cc(COC)on1)C(=O)[O-]	ZINC000150322677	926949524	/nfs/dbraw/zinc/94/95/24/926949524.db2.gz	ZEQJVMIQGPDVTO-MRVPVSSYSA-N	-1	0	254.242	0.580	20	30		CCEDRM
Cc1n[nH]cc1CNC(=O)c1[n-]c(=O)c(C#N)cc1C	ZINC001361798745	927339421	/nfs/dbraw/zinc/33/94/21/927339421.db2.gz	RDZSYJRWFOWQEH-UHFFFAOYSA-N	-1	0	271.280	0.929	20	30		CCEDRM
Cc1cccc(N(C)C(=O)Cn2cc(C#N)c(=O)[n-]c2=O)n1	ZINC001362003200	927513349	/nfs/dbraw/zinc/51/33/49/927513349.db2.gz	GCQZBPBVWPGSSW-UHFFFAOYSA-N	-1	0	299.290	0.187	20	30		CCEDRM
Cc1cc(CNC(=O)c2[n-]c(=O)c(C#N)cc2C)[nH]n1	ZINC001362155597	927673381	/nfs/dbraw/zinc/67/33/81/927673381.db2.gz	ZIRMJFHUJRWEND-UHFFFAOYSA-N	-1	0	271.280	0.929	20	30		CCEDRM
N#Cc1ccc(C(=O)NCc2nc([O-])cc(=O)[nH]2)cc1	ZINC001362723220	928411062	/nfs/dbraw/zinc/41/10/62/928411062.db2.gz	YIDQGYDNSPWCDY-UHFFFAOYSA-N	-1	0	270.248	0.689	20	30		CCEDRM
N#Cc1cc(C(=O)NCc2nc([O-])cc(=O)[nH]2)ccc1F	ZINC001362724489	928413289	/nfs/dbraw/zinc/41/32/89/928413289.db2.gz	QEQVINVWVFRDBJ-UHFFFAOYSA-N	-1	0	288.238	0.829	20	30		CCEDRM
COc1c(C(=O)NCC(C)(C)CC#N)[nH]c(=O)[nH]c1=O	ZINC001362821424	928534120	/nfs/dbraw/zinc/53/41/20/928534120.db2.gz	UMYFFXFWTQQLMG-UHFFFAOYSA-N	-1	0	280.284	0.566	20	30		CCEDRM
N#CC[C@@]1(O)CCN(C(=O)c2ccc3oc(=O)nc-3[n-]2)C1	ZINC001362828568	928542021	/nfs/dbraw/zinc/54/20/21/928542021.db2.gz	CQCWJXVUWGONGY-CYBMUJFWSA-N	-1	0	288.263	0.419	20	30		CCEDRM
COc1cc(CNC(=O)c2cc(=O)n(C)[n-]2)ccc1C#N	ZINC001362844788	928563520	/nfs/dbraw/zinc/56/35/20/928563520.db2.gz	MZDPMSROJGBDTM-UHFFFAOYSA-N	-1	0	286.291	0.936	20	30		CCEDRM
Cc1nonc1CNC(=O)c1[n-]c(=O)c(C#N)cc1C	ZINC001362853635	928574713	/nfs/dbraw/zinc/57/47/13/928574713.db2.gz	JOBNUJQBUIMWIR-UHFFFAOYSA-N	-1	0	273.252	0.589	20	30		CCEDRM
Cc1nc(C)c(CNc2[n-]c(=O)n(C)c(=O)c2C#N)s1	ZINC001363142617	928915664	/nfs/dbraw/zinc/91/56/64/928915664.db2.gz	JUSMMFPROHYINC-UHFFFAOYSA-N	-1	0	291.336	0.631	20	30		CCEDRM
C[C@@H](CNC(=O)Cn1cc(C#N)c(=O)[n-]c1=O)C(C)(C)C	ZINC001363439551	929233021	/nfs/dbraw/zinc/23/30/21/929233021.db2.gz	VYBIFWAZMVBCAD-VIFPVBQESA-N	-1	0	292.339	0.619	20	30		CCEDRM
N#Cc1cn(CC(=O)NC[C@]23C[C@H]2CCC3)c(=O)[n-]c1=O	ZINC001363585726	929391604	/nfs/dbraw/zinc/39/16/04/929391604.db2.gz	YJXHCNCYEHXMMJ-YGRLFVJLSA-N	-1	0	288.307	0.127	20	30		CCEDRM
N#Cc1c[n-]c(=O)n(C[C@@H]2CCC[C@@]3(CCOC3)O2)c1=O	ZINC001363761212	929551915	/nfs/dbraw/zinc/55/19/15/929551915.db2.gz	NDQLIMQKIVPXBT-FZMZJTMJSA-N	-1	0	291.307	0.136	20	30		CCEDRM
Cc1cc(C#N)c(=O)[n-]c1C(=O)NCC1(O)CCOCC1	ZINC001447909365	930752209	/nfs/dbraw/zinc/75/22/09/930752209.db2.gz	WZDVTHXIHBHZME-UHFFFAOYSA-N	-1	0	291.307	0.239	20	30		CCEDRM
Cc1cc(C#N)c(=O)[n-]c1C(=O)N(CCO)CC1CC1	ZINC001449137568	931082327	/nfs/dbraw/zinc/08/23/27/931082327.db2.gz	UADIBWHFTPUKPT-UHFFFAOYSA-N	-1	0	275.308	0.812	20	30		CCEDRM
C=C(Br)CNC(=O)N[C@@]1(C(=O)[O-])CCOC1	ZINC000168357597	939032919	/nfs/dbraw/zinc/03/29/19/939032919.db2.gz	SAJYVWUBWFHPSI-VIFPVBQESA-N	-1	0	293.117	0.438	20	30		CCEDRM
COC[C@@]1(C)CCN(C(=O)[C@](C)(C#N)CC(=O)[O-])C1	ZINC001610994585	970838424	/nfs/dbraw/zinc/83/84/24/970838424.db2.gz	JNCJHTAHZASFKX-STQMWFEESA-N	-1	0	268.313	0.876	20	30		CCEDRM
Cn1c(CCCCC#N)nnc1N1CC[C@H](C(=O)[O-])C1	ZINC001600912212	970879902	/nfs/dbraw/zinc/87/99/02/970879902.db2.gz	OBAUEEVIMQAOBX-JTQLQIEISA-N	-1	0	277.328	0.962	20	30		CCEDRM
N#Cc1cccc(OCC(=O)N2CCOC[C@H]2C(=O)[O-])c1	ZINC001601121341	970937523	/nfs/dbraw/zinc/93/75/23/970937523.db2.gz	ITJGBYALESXASR-LBPRGKRZSA-N	-1	0	290.275	0.249	20	30		CCEDRM
N#CCOc1cccc(CNC(=O)NCCC(=O)[O-])c1	ZINC001611291205	970977749	/nfs/dbraw/zinc/97/77/49/970977749.db2.gz	LIAIJZKQWQZLRF-UHFFFAOYSA-N	-1	0	277.280	0.863	20	30		CCEDRM
C#CCN(CC(=O)[O-])C(=O)NCc1ccnn1CC	ZINC001602685902	971284055	/nfs/dbraw/zinc/28/40/55/971284055.db2.gz	KLYMIJBJSUANEN-UHFFFAOYSA-N	-1	0	264.285	0.132	20	30		CCEDRM
C#CCN(CC(=O)[O-])C(=O)c1cc(F)c(F)cc1N	ZINC001602691763	971298976	/nfs/dbraw/zinc/29/89/76/971298976.db2.gz	XTCDWSNMBVUOQZ-UHFFFAOYSA-N	-1	0	268.219	0.707	20	30		CCEDRM
C#CCN(CC(=O)[O-])C(=O)c1ccnc(F)c1OC	ZINC001602692270	971302128	/nfs/dbraw/zinc/30/21/28/971302128.db2.gz	JBPLPAIENQKQQR-UHFFFAOYSA-N	-1	0	266.228	0.389	20	30		CCEDRM
C#CCN(CC(=O)[O-])S(=O)(=O)c1ccsc1C#N	ZINC001602699221	971316991	/nfs/dbraw/zinc/31/69/91/971316991.db2.gz	OFHGBZTZVWBTEM-UHFFFAOYSA-N	-1	0	284.318	0.328	20	30		CCEDRM
C#CCN(CC(=O)[O-])c1nnc([C@]2(C)CCC=CO2)n1C	ZINC001602700808	971321570	/nfs/dbraw/zinc/32/15/70/971321570.db2.gz	KALYBQFYNDUTCZ-AWEZNQCLSA-N	-1	0	290.323	0.879	20	30		CCEDRM
C#CCN(CC(=O)[O-])c1nnc([C@H]2C[C@@H]2C)n1CCOC	ZINC001602701164	971327858	/nfs/dbraw/zinc/32/78/58/971327858.db2.gz	ZMXPJQNTVZRUIU-QWRGUYRKSA-N	-1	0	292.339	0.572	20	30		CCEDRM
C#CCO[C@H](C)C(=O)N1CCC[C@H](C)[C@@H]1C(=O)[O-]	ZINC001602702932	971333333	/nfs/dbraw/zinc/33/33/33/971333333.db2.gz	YPPLQZOBRNGIET-HBNTYKKESA-N	-1	0	253.298	0.736	20	30		CCEDRM
C#Cc1ccccc1CC(=O)N[C@@H](C(=O)[O-])c1ccnn1C	ZINC001602707241	971342451	/nfs/dbraw/zinc/34/24/51/971342451.db2.gz	NAMMVKQNBGROCB-OAHLLOKOSA-N	-1	0	297.314	0.886	20	30		CCEDRM
C=C(C)[C@@H]1OCC[C@H]1CNC(=O)[C@@]1(C(=O)[O-])CCCO1	ZINC001602707439	971344918	/nfs/dbraw/zinc/34/49/18/971344918.db2.gz	VVNYNFHLCUAIEE-COPLHBTASA-N	-1	0	283.324	0.718	20	30		CCEDRM
C=C(CCC(=O)OC)C(=O)N[C@H](C(=O)[O-])c1ccnn1C	ZINC001602712460	971356496	/nfs/dbraw/zinc/35/64/96/971356496.db2.gz	RQSJRJDJVDHFOE-NSHDSACASA-N	-1	0	295.295	0.171	20	30		CCEDRM
C=CC[C@H](CO)NC(=O)Nc1ccnc(C(=O)[O-])c1	ZINC001602718100	971372295	/nfs/dbraw/zinc/37/22/95/971372295.db2.gz	DOXQREZSWILSGG-SECBINFHSA-N	-1	0	265.269	0.838	20	30		CCEDRM
C=CCCc1noc([C@@H]2CCCN(CC(=O)[O-])C2=O)n1	ZINC001602722043	971385928	/nfs/dbraw/zinc/38/59/28/971385928.db2.gz	RQQVQKUEETUVBA-VIFPVBQESA-N	-1	0	279.296	0.979	20	30		CCEDRM
C=C[C@@H]1OCC[C@H]1C(=O)Nc1cnn(CC(=O)[O-])c1	ZINC001602730868	971409000	/nfs/dbraw/zinc/40/90/00/971409000.db2.gz	HNMCSGRFQBZSHZ-ZJUUUORDSA-N	-1	0	265.269	0.497	20	30		CCEDRM
C=CCn1nnn(CN2CC[C@H](C(=O)[O-])[C@H](C)C2)c1=S	ZINC001602730928	971410130	/nfs/dbraw/zinc/41/01/30/971410130.db2.gz	KUOVBMQUVNZPEL-ZJUUUORDSA-N	-1	0	297.384	0.995	20	30		CCEDRM
CC#CC[C@H](CO)NC(=O)C1(CC(=O)[O-])CCC1	ZINC001602735059	971415988	/nfs/dbraw/zinc/41/59/88/971415988.db2.gz	MHIPVMZSAZNBIY-SNVBAGLBSA-N	-1	0	253.298	0.522	20	30		CCEDRM
C[C@@H](CC(=O)[O-])NC(=O)COc1ccccc1C#N	ZINC000036966867	948821807	/nfs/dbraw/zinc/82/18/07/948821807.db2.gz	UAELHJZAFPVYPC-VIFPVBQESA-N	-1	0	262.265	0.916	20	30		CCEDRM
COCCN(CCC#N)C(=O)c1ccc(C(=O)[O-])cn1	ZINC000071232696	948990412	/nfs/dbraw/zinc/99/04/12/948990412.db2.gz	LJXZYBAMRDBPTN-UHFFFAOYSA-N	-1	0	277.280	0.782	20	30		CCEDRM
C[C@](C#N)(CC(=O)[O-])C(=O)OCc1cc2n(n1)CCC2	ZINC001602781802	971526823	/nfs/dbraw/zinc/52/68/23/971526823.db2.gz	JPDUQJYIIMSACM-CYBMUJFWSA-N	-1	0	277.280	0.877	20	30		CCEDRM
C[C@@](C#N)(CC(=O)[O-])C(=O)OCC(=O)[C@@H]1CCOC1	ZINC001602782546	971529674	/nfs/dbraw/zinc/52/96/74/971529674.db2.gz	WBBNXNSPKVGAMC-PELKAZGASA-N	-1	0	269.253	0.140	20	30		CCEDRM
C#CCN(CC(=O)[O-])C[C@@H]1COc2ccccc2O1	ZINC000092481801	949154554	/nfs/dbraw/zinc/15/45/54/949154554.db2.gz	UXKMFBITMKJSFW-LLVKDONJSA-N	-1	0	261.277	0.846	20	30		CCEDRM
C=C(C)CNS(=O)(=O)N1CCC(C(=O)[O-])CC1	ZINC000122500770	949245464	/nfs/dbraw/zinc/24/54/64/949245464.db2.gz	MXLJLTZZXIOEEE-UHFFFAOYSA-N	-1	0	262.331	0.194	20	30		CCEDRM
O=C([O-])c1cccnc1N=NC1CCS(=O)(=O)CC1	ZINC001595262148	949681749	/nfs/dbraw/zinc/68/17/49/949681749.db2.gz	SAQDRQGJLYVBGX-UHFFFAOYSA-N	-1	0	283.309	0.756	20	30		CCEDRM
C#CCN(CC(=O)[O-])C(=O)NCCOCCC=C	ZINC000231836958	949754691	/nfs/dbraw/zinc/75/46/91/949754691.db2.gz	KVYBNWPJMYCQGF-UHFFFAOYSA-N	-1	0	254.286	0.309	20	30		CCEDRM
C#CCSCCNC(=O)N(C)CCCC(=O)[O-]	ZINC000231959012	949759837	/nfs/dbraw/zinc/75/98/37/949759837.db2.gz	VLSFWXUGVDFQFC-UHFFFAOYSA-N	-1	0	258.343	0.859	20	30		CCEDRM
O=C([O-])C1(C(=O)N[C@@H]2CCCN(O)C2=O)CCCCC1	ZINC001595280246	949973110	/nfs/dbraw/zinc/97/31/10/949973110.db2.gz	UUDICMPOMDCEJC-SECBINFHSA-N	-1	0	284.312	0.518	20	30		CCEDRM
CC(C)(C)[C@@H](C#N)NC(=O)[C@H]1CC(C(=O)[O-])=NO1	ZINC001602847163	971682365	/nfs/dbraw/zinc/68/23/65/971682365.db2.gz	HXXIJAYVOKCLLC-HTQZYQBOSA-N	-1	0	253.258	0.270	20	30		CCEDRM
N#CCSCC(=O)N[C@@H](CC(F)(F)F)C(=O)[O-]	ZINC000383435328	971869602	/nfs/dbraw/zinc/86/96/02/971869602.db2.gz	FFEWBPLGQCFBHC-YFKPBYRVSA-N	-1	0	270.232	0.765	20	30		CCEDRM
CN(C)C(=O)OCCOC(=O)[C@](C)(C#N)CC(=O)[O-]	ZINC001593686581	953992093	/nfs/dbraw/zinc/99/20/93/953992093.db2.gz	LZRRNVRQLCSCDL-NSHDSACASA-N	-1	0	272.257	0.232	20	30		CCEDRM
O=C([O-])C1CCN(c2ccc(C=NNCCO)o2)CC1	ZINC001594939392	954868300	/nfs/dbraw/zinc/86/83/00/954868300.db2.gz	OUJAPWJHJLDGEP-UHFFFAOYSA-N	-1	0	281.312	0.496	20	30		CCEDRM
COC(=O)C1(C#N)CCN(C(=O)N[C@H](C)CC(=O)[O-])CC1	ZINC001593813448	954971878	/nfs/dbraw/zinc/97/18/78/954971878.db2.gz	QWIYQEIAGVIPMO-SECBINFHSA-N	-1	0	297.311	0.338	20	30		CCEDRM
CC[C@H](CNC(=O)C#Cc1ccc2c(c1)OCO2)C(=O)[O-]	ZINC001589515088	955063468	/nfs/dbraw/zinc/06/34/68/955063468.db2.gz	SXYOHPWSGNFRBC-LLVKDONJSA-N	-1	0	289.287	0.994	20	30		CCEDRM
C[C@@H](CN(C)C(=O)C(=O)N1CCC[C@@H](CC#N)C1)C(=O)[O-]	ZINC001589019973	955462110	/nfs/dbraw/zinc/46/21/10/955462110.db2.gz	MGYGYZIRPBXEBB-QWRGUYRKSA-N	-1	0	295.339	0.318	20	30		CCEDRM
CO[C@H](C(=O)[O-])C(=O)N1CCCC(C)(C)[C@H]1C#N	ZINC001593904419	955894977	/nfs/dbraw/zinc/89/49/77/955894977.db2.gz	FWZYWHWMTYZAIH-BDAKNGLRSA-N	-1	0	254.286	0.627	20	30		CCEDRM
CO[C@@H](C(=O)[O-])C(=O)NCc1ccc(C#N)c(Cl)c1	ZINC001593908690	955954185	/nfs/dbraw/zinc/95/41/85/955954185.db2.gz	KRVTZSNJUCJXDK-SNVBAGLBSA-N	-1	0	282.683	0.927	20	30		CCEDRM
Cn1ncc(C(=O)[O-])c1CN1CCO[C@](C)(C#N)C1	ZINC001594580849	955967665	/nfs/dbraw/zinc/96/76/65/955967665.db2.gz	GSBXPAOLICMRMR-GFCCVEGCSA-N	-1	0	264.285	0.233	20	30		CCEDRM
CO[C@@H](C(=O)[O-])C(=O)Nc1ccc(F)c(C#N)c1N	ZINC001593912546	955981028	/nfs/dbraw/zinc/98/10/28/955981028.db2.gz	KKLUUMZGOKABJF-SECBINFHSA-N	-1	0	267.216	0.318	20	30		CCEDRM
CO[C@@H](C(=O)[O-])C(=O)O[C@@H](CC#N)c1ccco1	ZINC001593914804	956010543	/nfs/dbraw/zinc/01/05/43/956010543.db2.gz	KOSXMTXSZNWVEV-IUCAKERBSA-N	-1	0	253.210	0.877	20	30		CCEDRM
CO[C@@H](C(=O)[O-])C(=O)Oc1cccc(OCC#N)c1	ZINC001593921282	956079330	/nfs/dbraw/zinc/07/93/30/956079330.db2.gz	VYPFZMDWVOCRMJ-JTQLQIEISA-N	-1	0	265.221	0.594	20	30		CCEDRM
N#C[C@@H](C(=O)CCCCC(=O)[O-])C(=O)NC1CC1	ZINC001594602216	956144761	/nfs/dbraw/zinc/14/47/61/956144761.db2.gz	TVNBOFGNSXFJHM-VIFPVBQESA-N	-1	0	252.270	0.619	20	30		CCEDRM
N#CC1(C(=O)NC[C@H](C(=O)[O-])C2CCC2)CCOCC1	ZINC001594602694	956149475	/nfs/dbraw/zinc/14/94/75/956149475.db2.gz	YTAOJRLCVVLXRN-NSHDSACASA-N	-1	0	280.324	0.924	20	30		CCEDRM
N#CC1(NC(=O)[C@@H]2CC(C(=O)[O-])=NO2)CCCCC1	ZINC001594602716	956150917	/nfs/dbraw/zinc/15/09/17/956150917.db2.gz	QVWWNSXMUSQUCB-VIFPVBQESA-N	-1	0	265.269	0.559	20	30		CCEDRM
N#CC1(CS(=O)(=O)N2C[C@@H](C(=O)[O-])[C@H](C3CC3)C2)CC1	ZINC001594602918	956152603	/nfs/dbraw/zinc/15/26/03/956152603.db2.gz	UKGLEENZZRBVAK-WDEREUQCSA-N	-1	0	298.364	0.663	20	30		CCEDRM
N#C[C@]1(C(=O)Nc2ncn(CC(=O)[O-])n2)CC12CCCC2	ZINC001594603546	956156303	/nfs/dbraw/zinc/15/63/03/956156303.db2.gz	DWNYVDPAHPBONH-ZDUSSCGKSA-N	-1	0	289.295	0.775	20	30		CCEDRM
N#CC1(C(=O)O[C@@H](C(=O)[O-])C2CC2)CCOCC1	ZINC001594604086	956160037	/nfs/dbraw/zinc/16/00/37/956160037.db2.gz	OBRPPRICMBIWCZ-SECBINFHSA-N	-1	0	253.254	0.713	20	30		CCEDRM
N#CC1(COC(=O)C2(C(=O)[O-])CCSCC2)COC1	ZINC001594604422	956161408	/nfs/dbraw/zinc/16/14/08/956161408.db2.gz	UIQUHRNWRMFBRO-UHFFFAOYSA-N	-1	0	285.321	0.668	20	30		CCEDRM
N#C[C@@H]1CCCN(C(=O)C(=O)NCC2(C(=O)[O-])CCC2)C1	ZINC001594605456	956166889	/nfs/dbraw/zinc/16/68/89/956166889.db2.gz	DWRDAMLBRZHXLR-JTQLQIEISA-N	-1	0	293.323	0.120	20	30		CCEDRM
N#CCC1(COC(=O)[C@H](C(=O)[O-])C2CC2)COC1	ZINC001594606464	956182522	/nfs/dbraw/zinc/18/25/22/956182522.db2.gz	UZKFKWZQJLHMTN-VIFPVBQESA-N	-1	0	253.254	0.571	20	30		CCEDRM
N#CC[C@H]1CCCN(CN2C[C@@H](C(=O)[O-])CC2=O)C1	ZINC001594606394	956182258	/nfs/dbraw/zinc/18/22/58/956182258.db2.gz	SNMHBPKEYWKDQU-MNOVXSKESA-N	-1	0	265.313	0.503	20	30		CCEDRM
N#CCCCS(=O)(=O)N[C@H]1CCC[C@H]1C(=O)[O-]	ZINC001594609173	956190671	/nfs/dbraw/zinc/19/06/71/956190671.db2.gz	SSRJKHXIFMNNRY-BDAKNGLRSA-N	-1	0	260.315	0.463	20	30		CCEDRM
N#CCN(C(=O)[C@@H]1CO[C@@H](CCC(=O)[O-])C1)C1CC1	ZINC001594610576	956205577	/nfs/dbraw/zinc/20/55/77/956205577.db2.gz	YHSGSHVNVLMASR-ONGXEEELSA-N	-1	0	266.297	0.771	20	30		CCEDRM
N#CCCNC(=O)C(=O)Nc1cccc(C(=O)[O-])c1	ZINC001594610610	956205766	/nfs/dbraw/zinc/20/57/66/956205766.db2.gz	ZLAVPFJQWTUDNS-UHFFFAOYSA-N	-1	0	261.237	0.353	20	30		CCEDRM
N#Cc1cc(C(=O)OCC(=O)C(=O)[O-])ccc1F	ZINC001594616177	956238710	/nfs/dbraw/zinc/23/87/10/956238710.db2.gz	KPMARQZHARVXEE-UHFFFAOYSA-N	-1	0	251.169	0.508	20	30		CCEDRM
C[C@](O)(CNC(=O)C(F)(F)c1ccccc1C#N)C(=O)[O-]	ZINC001589137763	956239507	/nfs/dbraw/zinc/23/95/07/956239507.db2.gz	AWSQQRSIQFFDHK-LBPRGKRZSA-N	-1	0	298.245	0.602	20	30		CCEDRM
C[C@@](O)(CNC(=O)Nc1cccc(OCC#N)c1)C(=O)[O-]	ZINC001589144256	956274458	/nfs/dbraw/zinc/27/44/58/956274458.db2.gz	KTZRMBISOCLNTQ-CYBMUJFWSA-N	-1	0	293.279	0.546	20	30		CCEDRM
N#Cc1ccc(CNC(=O)N2CCO[C@@H](C(=O)[O-])C2)s1	ZINC001594620266	956274754	/nfs/dbraw/zinc/27/47/54/956274754.db2.gz	CWJVDQNYMLPHNS-SNVBAGLBSA-N	-1	0	295.320	0.615	20	30		CCEDRM
C[C@](O)(CNC(=O)c1ccc(F)c(C#N)c1)C(=O)[O-]	ZINC001589144855	956284339	/nfs/dbraw/zinc/28/43/39/956284339.db2.gz	ZRXTZDKSVQXSHT-LBPRGKRZSA-N	-1	0	266.228	0.263	20	30		CCEDRM
N#Cc1ccc(NCC(=O)NCCCC(=O)[O-])nc1	ZINC001594622749	956292750	/nfs/dbraw/zinc/29/27/50/956292750.db2.gz	KJAAPVOLLMMJAP-UHFFFAOYSA-N	-1	0	262.269	0.346	20	30		CCEDRM
C[C@](O)(CNC(=O)c1sccc1C#N)C(=O)[O-]	ZINC001589147219	956304096	/nfs/dbraw/zinc/30/40/96/956304096.db2.gz	RCMODNYYCJLQDE-JTQLQIEISA-N	-1	0	254.267	0.185	20	30		CCEDRM
N#Cc1cccc(C(=O)Nc2c[nH]nc2C(=O)[O-])n1	ZINC001594625888	956314556	/nfs/dbraw/zinc/31/45/56/956314556.db2.gz	QIXHJSBSNQJCEN-UHFFFAOYSA-N	-1	0	257.209	0.627	20	30		CCEDRM
COC(OC)[C@H](C)NC(=O)[C@@](C)(C#N)CC(=O)[O-]	ZINC001593944485	956315655	/nfs/dbraw/zinc/31/56/55/956315655.db2.gz	JKBDZBWAURWYPH-WRWORJQWSA-N	-1	0	258.274	0.115	20	30		CCEDRM
N#Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)NCCC(=O)[O-]	ZINC001594626676	956319074	/nfs/dbraw/zinc/31/90/74/956319074.db2.gz	FQHFJCCOEQPWAB-UHFFFAOYSA-N	-1	0	299.264	0.219	20	30		CCEDRM
N#Cc1cccc(NC(=O)c2cccn(CC(=O)[O-])c2=O)n1	ZINC001594628491	956332967	/nfs/dbraw/zinc/33/29/67/956332967.db2.gz	XTLIASXRGPJRRU-UHFFFAOYSA-N	-1	0	298.258	0.452	20	30		CCEDRM
CC(C)[C@H]([NH2+]Cc1cc(=O)n2[n-]cc(C#N)c2n1)C(=O)[O-]	ZINC001603099578	972173106	/nfs/dbraw/zinc/17/31/06/972173106.db2.gz	JHENSLAQRNCHMG-NSHDSACASA-N	-1	0	289.295	0.505	20	30		CCEDRM
N#Cc1csc(C(=O)NC2(C(=O)[O-])CCOCC2)c1	ZINC001594635317	956368033	/nfs/dbraw/zinc/36/80/33/956368033.db2.gz	ZGLVJQBOEJTRNB-UHFFFAOYSA-N	-1	0	280.305	0.983	20	30		CCEDRM
N#Cc1ncccc1N[C@H]1CCCCN(CC(=O)[O-])C1=O	ZINC001594635495	956369623	/nfs/dbraw/zinc/36/96/23/956369623.db2.gz	OCSQJOVZTRMDBH-NSHDSACASA-N	-1	0	288.307	0.831	20	30		CCEDRM
C[C@H](C(=O)[O-])C(=O)O[C@@H](C)C(=O)N(C)CCC#N	ZINC001589158793	956387504	/nfs/dbraw/zinc/38/75/04/956387504.db2.gz	MMJHZAXZRFJQMI-SFYZADRCSA-N	-1	0	256.258	0.011	20	30		CCEDRM
C[C@@H](Oc1ccc(C#N)cc1)C(=O)OCC(=O)C(=O)[O-]	ZINC001589167807	956437043	/nfs/dbraw/zinc/43/70/43/956437043.db2.gz	LLGRTARZGCGBEJ-MRVPVSSYSA-N	-1	0	277.232	0.522	20	30		CCEDRM
C[C@@]1(C#N)CN(C(=O)NCC2(C(=O)[O-])CCC2)CCO1	ZINC001589181834	956529058	/nfs/dbraw/zinc/52/90/58/956529058.db2.gz	QZLHVTHZCGOSMJ-GFCCVEGCSA-N	-1	0	281.312	0.565	20	30		CCEDRM
COC[C@]1(C(=O)[O-])CCN(C(=O)c2ccnc(C#N)c2)C1	ZINC001593967976	956581603	/nfs/dbraw/zinc/58/16/03/956581603.db2.gz	LQKOWJSKEKQWCP-AWEZNQCLSA-N	-1	0	289.291	0.517	20	30		CCEDRM
CC1(C)C[C@@]1(C#N)NC(=O)[C@H]1CCCN(CC(=O)[O-])C1=O	ZINC001589212999	956710716	/nfs/dbraw/zinc/71/07/16/956710716.db2.gz	WGAWAIZXCKDGET-OTYXRUKQSA-N	-1	0	293.323	0.118	20	30		CCEDRM
CC1(C)CCCN([C@@H]2CCN(CC(=O)[O-])C2=O)[C@@H]1C#N	ZINC001589226046	956795639	/nfs/dbraw/zinc/79/56/39/956795639.db2.gz	VPPMWAXZEQVAOH-GHMZBOCLSA-N	-1	0	279.340	0.686	20	30		CCEDRM
COCC[C@@H](C)CNC(=O)[C@](C)(C#N)CC(=O)[O-]	ZINC001593989612	956822364	/nfs/dbraw/zinc/82/23/64/956822364.db2.gz	ATJKRAPUBGRRBJ-SKDRFNHKSA-N	-1	0	256.302	0.780	20	30		CCEDRM
COCCN(CC(=O)[O-])C(=O)c1ccsc1C#N	ZINC001593998743	956912372	/nfs/dbraw/zinc/91/23/72/956912372.db2.gz	FMGWPEOXXKUKMF-UHFFFAOYSA-N	-1	0	268.294	0.793	20	30		CCEDRM
CC[C@H](CC#N)NS(=O)(=O)c1ccc(C(=O)[O-])o1	ZINC000054176783	957522640	/nfs/dbraw/zinc/52/26/40/957522640.db2.gz	XPXZNFOYJBRWSI-SSDOTTSWSA-N	-1	0	272.282	0.948	20	30		CCEDRM
Cc1cc(C#N)cc(NCCOCCOCC(=O)[O-])n1	ZINC001594273836	957697042	/nfs/dbraw/zinc/69/70/42/957697042.db2.gz	CFMMZMJRBCUXCL-UHFFFAOYSA-N	-1	0	279.296	0.791	20	30		CCEDRM
C#C[C@@H]1COCCN1C(=O)[C@H]1CC[C@@H](C(=O)[O-])C1	ZINC001588383647	957968587	/nfs/dbraw/zinc/96/85/87/957968587.db2.gz	GPBNQTDAAZIRJO-HBNTYKKESA-N	-1	0	251.282	0.348	20	30		CCEDRM
C#C[C@@H]1CCCN(C(=O)C(=O)N2CCC[C@H](C(=O)[O-])C2)C1	ZINC001588386681	957981542	/nfs/dbraw/zinc/98/15/42/957981542.db2.gz	UOLUYNPRVVWCPA-NEPJUHHUSA-N	-1	0	292.335	0.181	20	30		CCEDRM
C#CC[C@H](COC)NC(=O)c1cccc(OCC(=O)[O-])c1	ZINC001588389076	958004393	/nfs/dbraw/zinc/00/43/93/958004393.db2.gz	LXASDEIFKUJCHL-GFCCVEGCSA-N	-1	0	291.303	0.918	20	30		CCEDRM
C#CC[C@@H](CCOC)NC(=O)N1CCC[C@H](C(=O)[O-])C1	ZINC001588389186	958006063	/nfs/dbraw/zinc/00/60/63/958006063.db2.gz	PACQODPRTNDBDP-RYUDHWBXSA-N	-1	0	282.340	0.921	20	30		CCEDRM
C#CCN(C(=O)C(=O)N1CC[C@@H](C)[C@@H](C(=O)[O-])C1)C(C)C	ZINC001588396477	958049830	/nfs/dbraw/zinc/04/98/30/958049830.db2.gz	SNFNDVHHFCZQSE-NEPJUHHUSA-N	-1	0	294.351	0.426	20	30		CCEDRM
C#CCN(CC(=O)[O-])C(=O)[C@@H](C)c1c(C)noc1C	ZINC001588397566	958059625	/nfs/dbraw/zinc/05/96/25/958059625.db2.gz	MCCLHZTZJYTPHK-QMMMGPOBSA-N	-1	0	264.281	0.941	20	30		CCEDRM
C#CCN(CC(=O)[O-])C(=O)C[C@@H](C)CC(=O)OC	ZINC001588399743	958076352	/nfs/dbraw/zinc/07/63/52/958076352.db2.gz	OLOHVUKMLZLCHE-SECBINFHSA-N	-1	0	255.270	0.122	20	30		CCEDRM
C#CCN(CC(=O)[O-])C(=O)Cc1ccncc1Cl	ZINC001588407904	958104460	/nfs/dbraw/zinc/10/44/60/958104460.db2.gz	YLUYKKKPTCQYLK-UHFFFAOYSA-N	-1	0	266.684	0.824	20	30		CCEDRM
C#CCN(CC(=O)[O-])C(=O)NC[C@@H]1OCc2ccccc21	ZINC001588408265	958106387	/nfs/dbraw/zinc/10/63/87/958106387.db2.gz	DKLSWOIXWDMMPD-ZDUSSCGKSA-N	-1	0	288.303	0.987	20	30		CCEDRM
C#CCN(CC(=O)[O-])C(=O)N[C@@H]1[C@H]2CCCO[C@H]2C1(C)C	ZINC001588410057	958135503	/nfs/dbraw/zinc/13/55/03/958135503.db2.gz	OPOXXVJYJDIKFL-RAIGVLPGSA-N	-1	0	294.351	0.919	20	30		CCEDRM
C#CCN(CC(=O)[O-])C(=O)NC[C@H](CC(C)C)OC	ZINC001588410752	958142680	/nfs/dbraw/zinc/14/26/80/958142680.db2.gz	ZXZBTOGBDFMFPM-NSHDSACASA-N	-1	0	270.329	0.777	20	30		CCEDRM
C#CCNCC(=O)Nc1cc(OC)c(OC)cc1C(=O)[O-]	ZINC000092493066	958166223	/nfs/dbraw/zinc/16/62/23/958166223.db2.gz	JRCRPLZTWUSHLF-UHFFFAOYSA-N	-1	0	292.291	0.563	20	30		CCEDRM
C#CCN(CC(=O)[O-])C(=O)c1ccc2c(=O)[nH]cnc2c1	ZINC001588418945	958188554	/nfs/dbraw/zinc/18/85/54/958188554.db2.gz	LGVIDEZVXYAROA-UHFFFAOYSA-N	-1	0	285.259	0.495	20	30		CCEDRM
C#CCN(CC(=O)[O-])CC(=O)N1C[C@@H](C)OC(C)(C)C1	ZINC001588420148	958199840	/nfs/dbraw/zinc/19/98/40/958199840.db2.gz	NMQZLQNAVWRQBI-LLVKDONJSA-N	-1	0	282.340	0.032	20	30		CCEDRM
C#CCN(CC(=O)[O-])c1nnc([C@H](O)C2CCCC2)n1C	ZINC001588427300	958243094	/nfs/dbraw/zinc/24/30/94/958243094.db2.gz	SOSQXZSUDYPBRE-GFCCVEGCSA-N	-1	0	292.339	0.563	20	30		CCEDRM
N#C[C@@H]1CN(C(=O)c2ccccc2C(=O)[O-])CCO1	ZINC000093932403	958257515	/nfs/dbraw/zinc/25/75/15/958257515.db2.gz	VGRJOANIJXMYLE-SECBINFHSA-N	-1	0	260.249	0.749	20	30		CCEDRM
C#CCO[C@@H](C)C(=O)N1CCC(C)(C(=O)[O-])CC1	ZINC001588430906	958262287	/nfs/dbraw/zinc/26/22/87/958262287.db2.gz	IFXMOHIEQRVVGH-JTQLQIEISA-N	-1	0	253.298	0.738	20	30		CCEDRM
C#CCN1CCN(C(=O)C2(C(=O)[O-])CC=CC2)CC1	ZINC001588431142	958264790	/nfs/dbraw/zinc/26/47/90/958264790.db2.gz	SNFFCTGWZGBWGC-UHFFFAOYSA-N	-1	0	262.309	0.185	20	30		CCEDRM
C#CCOc1ccccc1CNC(=O)[C@@](C)(OC)C(=O)[O-]	ZINC001588433366	958295254	/nfs/dbraw/zinc/29/52/54/958295254.db2.gz	KHSSNUOZUPLUCZ-OAHLLOKOSA-N	-1	0	291.303	0.805	20	30		CCEDRM
C=C(C)CN(CC)C(=O)C(=O)Nc1ccn(CC(=O)[O-])n1	ZINC001588440010	958325849	/nfs/dbraw/zinc/32/58/49/958325849.db2.gz	KYZCFZPFQUMCDZ-UHFFFAOYSA-N	-1	0	294.311	0.331	20	30		CCEDRM
C=C1CN(C(=O)N[C@@H]2CCCCN(CC(=O)[O-])C2=O)C1	ZINC001588447050	958380754	/nfs/dbraw/zinc/38/07/54/958380754.db2.gz	IQSCELUYFYRNBK-SNVBAGLBSA-N	-1	0	281.312	0.034	20	30		CCEDRM
C=C[C@H](C(=O)OC)N1CC[C@@](COC)(C(=O)[O-])C1	ZINC001588450393	958391941	/nfs/dbraw/zinc/39/19/41/958391941.db2.gz	IMEMDBFXFHNGTN-BXKDBHETSA-N	-1	0	257.286	0.137	20	30		CCEDRM
C=C[C@](C)(O)C(=O)Nc1ccc(O)c(C(=O)[O-])c1	ZINC001588450722	958399120	/nfs/dbraw/zinc/39/91/20/958399120.db2.gz	AMJWZWMKOASWEV-LBPRGKRZSA-N	-1	0	251.238	0.966	20	30		CCEDRM
C=C[C@@](C)(O)CC(=O)N1CC[C@](COC)(C(=O)[O-])C1	ZINC001588450988	958403150	/nfs/dbraw/zinc/40/31/50/958403150.db2.gz	JIWNFYIIRAXZBK-OLZOCXBDSA-N	-1	0	271.313	0.263	20	30		CCEDRM
C=CC[C@@H](CO)NC(=O)Nc1ccn(CC(=O)[O-])n1	ZINC001588452478	958423594	/nfs/dbraw/zinc/42/35/94/958423594.db2.gz	BIXLAKBPMXZGFB-QMMMGPOBSA-N	-1	0	268.273	0.026	20	30		CCEDRM
C=CC[C@H](C)NC(=O)N[C@@H]1CCCCN(CC(=O)[O-])C1=O	ZINC001588452771	958427671	/nfs/dbraw/zinc/42/76/71/958427671.db2.gz	JLQSHBXZEICELO-WDEREUQCSA-N	-1	0	297.355	0.716	20	30		CCEDRM
C=C/C=C/CCn1c(=O)c(C#N)cn(CC(=O)[O-])c1=O	ZINC001588453087	958431508	/nfs/dbraw/zinc/43/15/08/958431508.db2.gz	UTTCDZASMSTACW-ONEGZZNKSA-N	-1	0	275.264	0.099	20	30		CCEDRM
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C=CCNC(=O)COC(=O)/C=C/c1ccc(C(=O)[O-])o1	ZINC001588465553	958505264	/nfs/dbraw/zinc/50/52/64/958505264.db2.gz	SIIKMLRYECIHAZ-GQCTYLIASA-N	-1	0	279.248	0.836	20	30		CCEDRM
C=CC[C@@H](C(=O)OC)N(CCC(=O)OC)CC(=O)[O-]	ZINC001573329755	958512147	/nfs/dbraw/zinc/51/21/47/958512147.db2.gz	MAMBVJLOKCIDRY-VIFPVBQESA-N	-1	0	273.285	0.054	20	30		CCEDRM
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C=CCn1c([C@@H](O)C=C)nnc1N1CC[C@](C)(C(=O)[O-])C1	ZINC001588470066	958521953	/nfs/dbraw/zinc/52/19/53/958521953.db2.gz	BGWMAWSTLGGVMI-HZMBPMFUSA-N	-1	0	292.339	0.985	20	30		CCEDRM
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C[C@@H](C(=O)Nc1ccnc(C(=O)[O-])c1)n1cnc(C#N)n1	ZINC001573362713	958602126	/nfs/dbraw/zinc/60/21/26/958602126.db2.gz	FWSNEGBWHLUWDS-ZETCQYMHSA-N	-1	0	286.251	0.443	20	30		CCEDRM
C[C@@](C#N)(CC(=O)[O-])C(=O)N[C@@H]1CC12CCOCC2	ZINC001573364767	958617302	/nfs/dbraw/zinc/61/73/02/958617302.db2.gz	QQVRJGJBVUYONJ-SKDRFNHKSA-N	-1	0	266.297	0.676	20	30		CCEDRM
C[C@@](C#N)(CC(=O)[O-])C(=O)Nc1cnc2c(c1)CNC2=O	ZINC001573364781	958617334	/nfs/dbraw/zinc/61/73/34/958617334.db2.gz	QRSUMBILSBDEEO-ZDUSSCGKSA-N	-1	0	288.263	0.268	20	30		CCEDRM
CC(C)(C#N)CC(=O)Nc1nc2n(c1C(=O)[O-])CCOC2	ZINC001573382183	958668328	/nfs/dbraw/zinc/66/83/28/958668328.db2.gz	UIWFCBOPSNWTEV-UHFFFAOYSA-N	-1	0	292.295	0.990	20	30		CCEDRM
Cc1cccc(NC(=O)C(=O)N[C@H](C)CC(=O)[O-])c1C#N	ZINC001594405456	958901795	/nfs/dbraw/zinc/90/17/95/958901795.db2.gz	IDOXGXAPHZKFOB-SECBINFHSA-N	-1	0	289.291	0.785	20	30		CCEDRM
C[C@@](C#N)(CC(=O)[O-])C(=O)N1CC[C@@H](N2CCOC2=O)C1	ZINC001588534922	958924838	/nfs/dbraw/zinc/92/48/38/958924838.db2.gz	KZKSUDVWZZNMDY-RNCFNFMXSA-N	-1	0	295.295	0.044	20	30		CCEDRM
CC(C)(C)n1nnnc1COC(=O)[C@](C)(C#N)CC(=O)[O-]	ZINC001588543602	958981963	/nfs/dbraw/zinc/98/19/63/958981963.db2.gz	OCQVQZUBNQRDKP-LBPRGKRZSA-N	-1	0	295.299	0.476	20	30		CCEDRM
C#CC[C@H](NC(=O)c1cnc2onc(C)c2c1)C(=O)[O-]	ZINC000149859226	959029518	/nfs/dbraw/zinc/02/95/18/959029518.db2.gz	LFICTBXPLUDODP-JTQLQIEISA-N	-1	0	273.248	0.738	20	30		CCEDRM
C[C@](C#N)(CC(=O)[O-])C(=O)NCCC[C@@H]1CCOC1	ZINC001588558421	959085998	/nfs/dbraw/zinc/08/59/98/959085998.db2.gz	TYJTXGPCAHCTOS-ZWNOBZJWSA-N	-1	0	268.313	0.924	20	30		CCEDRM
C#CC[C@H](NS(=O)(=O)c1ccc2c(c1)CCC2)C(=O)[O-]	ZINC000159582397	959121168	/nfs/dbraw/zinc/12/11/68/959121168.db2.gz	ZXLFNFZEDPZDPE-ZDUSSCGKSA-N	-1	0	293.344	0.930	20	30		CCEDRM
C[C@](O)(CNC(=O)Nc1cccc(CC#N)n1)C(=O)[O-]	ZINC001573583023	959361749	/nfs/dbraw/zinc/36/17/49/959361749.db2.gz	RBCHJGFVLPDUGK-LBPRGKRZSA-N	-1	0	278.268	0.105	20	30		CCEDRM
C[C@H](NC(=O)C(=O)/C=C\c1ccc(F)cc1)C(=O)[O-]	ZINC001594233272	959489071	/nfs/dbraw/zinc/48/90/71/959489071.db2.gz	UQWSCPHHKRMBAH-NZGHECTNSA-N	-1	0	265.240	0.997	20	30		CCEDRM
CC(C)(C#N)NC(=O)[C@@H]1CO[C@@H](CCC(=O)[O-])C1	ZINC001588607852	959497098	/nfs/dbraw/zinc/49/70/98/959497098.db2.gz	VXPOKSBTUAPIAJ-IUCAKERBSA-N	-1	0	254.286	0.675	20	30		CCEDRM
CC(C)(C#N)CCOC(=O)[C@@H]1CCCN(CC(=O)[O-])C1=O	ZINC001588607830	959497611	/nfs/dbraw/zinc/49/76/11/959497611.db2.gz	UIQODTFNJAUQGH-SNVBAGLBSA-N	-1	0	296.323	0.793	20	30		CCEDRM
C[C@](O)(CNC(=O)c1ccc2c(C#N)c[nH]c2c1)C(=O)[O-]	ZINC001573635015	959586234	/nfs/dbraw/zinc/58/62/34/959586234.db2.gz	YREIDRYOCFHDQD-AWEZNQCLSA-N	-1	0	287.275	0.605	20	30		CCEDRM
C[C@]1(C#N)CN(C(=O)Nc2ccnc(C(=O)[O-])c2)CCO1	ZINC001573644282	959632240	/nfs/dbraw/zinc/63/22/40/959632240.db2.gz	XLWJCFOESAKXDT-ZDUSSCGKSA-N	-1	0	290.279	0.926	20	30		CCEDRM
C[C@@]1(C#N)CN(C(=O)[C@@H]2CC[C@H]2C(=O)[O-])CCO1	ZINC001573645680	959639895	/nfs/dbraw/zinc/63/98/95/959639895.db2.gz	JPGCMBLEGLAJIV-KBVBSXBZSA-N	-1	0	252.270	0.238	20	30		CCEDRM
COc1cc(C(=O)[O-])ccc1S(=O)(=O)NC[C@H](C)C#N	ZINC000223706794	959839721	/nfs/dbraw/zinc/83/97/21/959839721.db2.gz	IAEQKLLTNPYEBZ-MRVPVSSYSA-N	-1	0	298.320	0.831	20	30		CCEDRM
CC(C)(C)CN(CCC#N)C(=O)COCC(=O)[O-]	ZINC001588657134	960416253	/nfs/dbraw/zinc/41/62/53/960416253.db2.gz	QCEHFVBZECNNOJ-UHFFFAOYSA-N	-1	0	256.302	0.876	20	30		CCEDRM
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CC(C)C#CC(=O)N(CC(=O)[O-])C1CCOCC1	ZINC001588799183	961411521	/nfs/dbraw/zinc/41/15/21/961411521.db2.gz	KOWLLRVPRCGULJ-UHFFFAOYSA-N	-1	0	253.298	0.738	20	30		CCEDRM
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COC(=O)CCN(CC(=O)[O-])C(=O)c1ccc(C#N)cn1	ZINC001574056849	962195159	/nfs/dbraw/zinc/19/51/59/962195159.db2.gz	SZNFFOYFTRVTNI-UHFFFAOYSA-N	-1	0	291.263	0.043	20	30		CCEDRM
CC(C)Cn1ncnc1COC(=O)[C@](C)(C#N)CC(=O)[O-]	ZINC001588912227	962325137	/nfs/dbraw/zinc/32/51/37/962325137.db2.gz	FWTYOVGMJVCKCU-ZDUSSCGKSA-N	-1	0	294.311	0.982	20	30		CCEDRM
C#CC1(O)CCN(c2nc(C(=O)[O-])ccc2[N+](=O)[O-])CC1	ZINC001573302012	962642978	/nfs/dbraw/zinc/64/29/78/962642978.db2.gz	IEIISJWOLFUNIB-UHFFFAOYSA-N	-1	0	291.263	0.653	20	30		CCEDRM
C#CC[C@@H](NC(=O)c1cccc(-c2nc[nH]n2)c1)C(=O)[O-]	ZINC001573303807	962681880	/nfs/dbraw/zinc/68/18/80/962681880.db2.gz	TWDNNTLCNNUZQI-LLVKDONJSA-N	-1	0	284.275	0.678	20	30		CCEDRM
C#Cc1ccc(C(=O)Nc2cc(C(=O)[O-])n(C)n2)cn1	ZINC001573311657	962709848	/nfs/dbraw/zinc/70/98/48/962709848.db2.gz	DNSOVYQBKVBBGE-UHFFFAOYSA-N	-1	0	270.248	0.747	20	30		CCEDRM
C[C@H](CC#N)C(=O)N[C@@H](Cc1ccncc1)C(=O)[O-]	ZINC001588988244	962776691	/nfs/dbraw/zinc/77/66/91/962776691.db2.gz	XZDFUKKFNBNMJR-KOLCDFICSA-N	-1	0	261.281	0.743	20	30		CCEDRM
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C[C@@H](CC(=O)[O-])NC(=O)CNC(=O)c1ccc(C#N)cc1	ZINC001588995284	962843004	/nfs/dbraw/zinc/84/30/04/962843004.db2.gz	YRNNNEYXTDUBCE-VIFPVBQESA-N	-1	0	289.291	0.267	20	30		CCEDRM
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C=C(CCC(=O)[O-])C(=O)N1CCC([C@@H](O)C(=O)OC)CC1	ZINC001573333156	962851381	/nfs/dbraw/zinc/85/13/81/962851381.db2.gz	WYXGTKGLTXXUCC-GFCCVEGCSA-N	-1	0	299.323	0.180	20	30		CCEDRM
C=C(CCC(=O)[O-])C(=O)Nc1ccc(=O)n(CCOC)c1	ZINC001573337140	962863655	/nfs/dbraw/zinc/86/36/55/962863655.db2.gz	LCHOQDRYMUVRMW-UHFFFAOYSA-N	-1	0	294.307	0.854	20	30		CCEDRM
C=C(CCC(=O)OC)C(=O)N1CC[C@H](C(=O)[O-])[C@@H]1C	ZINC001573339449	962890763	/nfs/dbraw/zinc/89/07/63/962890763.db2.gz	SRBRZVOFBUKIPW-UWVGGRQHSA-N	-1	0	269.297	0.817	20	30		CCEDRM
C=CC(C)(C)C(=O)NC/C=C\CNC(=O)CNC(=O)[O-]	ZINC001573346532	962939434	/nfs/dbraw/zinc/93/94/34/962939434.db2.gz	BNQQNHKMDLLBML-WAYWQWQTSA-N	-1	0	283.328	0.255	20	30		CCEDRM
CSC1([C@@H](C#N)N(C)C(=O)[C@H]2C[C@H]2C(=O)[O-])CC1	ZINC001570992211	963157081	/nfs/dbraw/zinc/15/70/81/963157081.db2.gz	GNBMGYRPDRMUJQ-DJLDLDEBSA-N	-1	0	268.338	0.953	20	30		CCEDRM
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C=C(Cl)CN1CC(CNC(=O)[C@@H]2C[C@@H]2C(=O)[O-])C1	ZINC001570999574	963209214	/nfs/dbraw/zinc/20/92/14/963209214.db2.gz	IOFBYJCLJWRMTM-ZJUUUORDSA-N	-1	0	272.732	0.508	20	30		CCEDRM
C#CCCCC(=O)NC1(CNC(=O)[C@@H]2C[C@@H]2C(=O)[O-])CC1	ZINC001588435273	964020329	/nfs/dbraw/zinc/02/03/29/964020329.db2.gz	IZXRGCPCTYDIRP-MNOVXSKESA-N	-1	0	292.335	0.276	20	30		CCEDRM
C=C(C)Cn1c(C[C@@H](C)O)nnc1N1CC[C@H](C(=O)[O-])C1	ZINC001588442923	964059925	/nfs/dbraw/zinc/05/99/25/964059925.db2.gz	LXGGGXVGWUQLIY-MNOVXSKESA-N	-1	0	294.355	0.688	20	30		CCEDRM
C=CCCCN(C)C(=O)c1cn(CC(=O)[O-])nn1	ZINC000136023094	967641959	/nfs/dbraw/zinc/64/19/59/967641959.db2.gz	NXECUZSPHUJTGZ-UHFFFAOYSA-N	-1	0	252.274	0.401	20	30		CCEDRM
C#CCN(CC(=O)[O-])C(=O)N[C@H]1CCOC[C@H]1C	ZINC000302360611	967913862	/nfs/dbraw/zinc/91/38/62/967913862.db2.gz	KVCQMGHJOFDTGP-ZJUUUORDSA-N	-1	0	254.286	0.141	20	30		CCEDRM
C=C[C@@H]1OCCC[C@H]1NC(=O)[C@H]1CC[C@H]1C(=O)[O-]	ZINC001573379657	969808936	/nfs/dbraw/zinc/80/89/36/969808936.db2.gz	QXXYBFVCEDFSQY-ZDCRXTMVSA-N	-1	0	253.298	0.947	20	30		CCEDRM
O=C([O-])[C@@]1(C(=O)N[C@H]2CCCN(O)C2=O)CC=CCC1	ZINC001606555350	970339425	/nfs/dbraw/zinc/33/94/25/970339425.db2.gz	KMUWWMXOIWDDLI-ZANVPECISA-N	-1	0	282.296	0.294	20	30		CCEDRM
N#CCCOCCOC(=O)c1cnc(C(=O)[O-])cn1	ZINC001608184755	970402601	/nfs/dbraw/zinc/40/26/01/970402601.db2.gz	WKGQSZLKCWNCOU-UHFFFAOYSA-N	-1	0	265.225	0.262	20	30		CCEDRM
C#C[C@@H](C)NC(=O)C1=NN(c2ccccc2)[C@H](C(=O)[O-])C1	ZINC001609623967	970424286	/nfs/dbraw/zinc/42/42/86/970424286.db2.gz	PSYBZVUKXRRULO-MFKMUULPSA-N	-1	0	285.303	0.844	20	30		CCEDRM
C=C(C)CN(Cc1ccc(CO)o1)C(=O)C(=O)[O-]	ZINC001609626250	970427399	/nfs/dbraw/zinc/42/73/99/970427399.db2.gz	LTAFJLDZOPOZIT-UHFFFAOYSA-N	-1	0	253.254	0.761	20	30		CCEDRM
C[C@@H](CC(=O)[O-])NC(=O)C(=O)Nc1cccc(C#N)c1	ZINC001609865157	970556918	/nfs/dbraw/zinc/55/69/18/970556918.db2.gz	SDQRRPGTTVXCKT-QMMMGPOBSA-N	-1	0	275.264	0.476	20	30		CCEDRM
C[C@@H](CC(=O)[O-])NC(=O)NCCNc1ncccc1C#N	ZINC001609885652	970575685	/nfs/dbraw/zinc/57/56/85/970575685.db2.gz	PGYJTCFBCYJMAT-VIFPVBQESA-N	-1	0	291.311	0.528	20	30		CCEDRM
C[C@@H]1[C@H](CO)CCCN1C(=O)[C@](C)(C#N)CC(=O)[O-]	ZINC001610068312	970654656	/nfs/dbraw/zinc/65/46/56/970654656.db2.gz	QBEMNDDMJMAIHE-NRUUGDAUSA-N	-1	0	268.313	0.610	20	30		CCEDRM
C[C@]1(C#N)CCN(C(=O)[C@@H]2CCCN(CC(=O)[O-])C2=O)C1	ZINC001603290950	972550904	/nfs/dbraw/zinc/55/09/04/972550904.db2.gz	ZZQNIDFOCBOXRI-QMTHXVAHSA-N	-1	0	293.323	0.072	20	30		CCEDRM
C=CCOc1ccccc1C(=O)NC[C@H](O)CC(=O)[O-]	ZINC000398316800	973114473	/nfs/dbraw/zinc/11/44/73/973114473.db2.gz	UGYRMSIMOODHNT-SNVBAGLBSA-N	-1	0	279.292	0.817	20	30		CCEDRM
COC(=O)c1coc(CNC(=O)[C@](C)(C#N)CC(=O)[O-])c1	ZINC001604403492	973151557	/nfs/dbraw/zinc/15/15/57/973151557.db2.gz	QUFKXBMVXHQGLK-ZDUSSCGKSA-N	-1	0	294.263	0.687	20	30		CCEDRM
Cc1cccc(C#N)c1S(=O)(=O)NCCC(=O)[O-]	ZINC001605320154	973152625	/nfs/dbraw/zinc/15/26/25/973152625.db2.gz	ANGDKFFFCCCNMN-UHFFFAOYSA-N	-1	0	268.294	0.620	20	30		CCEDRM
CC[C@H](C#N)C(=O)NCC1(C(=O)[O-])CCOCC1	ZINC001603489039	973422733	/nfs/dbraw/zinc/42/27/33/973422733.db2.gz	UDXRWMLKWFQJSH-SECBINFHSA-N	-1	0	254.286	0.534	20	30		CCEDRM
COC[C@@H](C#N)OC(=O)c1ccc(C(=O)[O-])nc1	ZINC001604507558	973440118	/nfs/dbraw/zinc/44/01/18/973440118.db2.gz	HPZPVWKJRLOIPZ-MRVPVSSYSA-N	-1	0	250.210	0.475	20	30		CCEDRM
C=CCCCNC(=O)N1C[C@H](O)C[C@@H](C(=O)[O-])C1	ZINC000401959672	973564642	/nfs/dbraw/zinc/56/46/42/973564642.db2.gz	UNZGPQPCUAUUNU-NXEZZACHSA-N	-1	0	256.302	0.430	20	30		CCEDRM
Cn1nccc1[C@@H](NCc1nc(C#N)cs1)C(=O)[O-]	ZINC001605570453	973830218	/nfs/dbraw/zinc/83/02/18/973830218.db2.gz	WSRXUZPWOWCDAK-SNVBAGLBSA-N	-1	0	277.309	0.664	20	30		CCEDRM
N#CC1(CNC(=O)[C@@]2(C(=O)[O-])CCCO2)CCOCC1	ZINC001605575985	973843763	/nfs/dbraw/zinc/84/37/63/973843763.db2.gz	HFHVRVNQQKZCJM-CYBMUJFWSA-N	-1	0	282.296	0.057	20	30		CCEDRM
N#Cc1ccc(CC(=O)O[C@@H](C(=O)[O-])C2CC2)cn1	ZINC001605601816	973907601	/nfs/dbraw/zinc/90/76/01/973907601.db2.gz	FFBWKFFNVDCVDN-GFCCVEGCSA-N	-1	0	260.249	0.902	20	30		CCEDRM
N#Cc1ccc(CC(=O)O[C@H](C(=O)[O-])C2CC2)cn1	ZINC001605601817	973907711	/nfs/dbraw/zinc/90/77/11/973907711.db2.gz	FFBWKFFNVDCVDN-LBPRGKRZSA-N	-1	0	260.249	0.902	20	30		CCEDRM
N#Cc1cccnc1NCCOC(=O)CCC(=O)[O-]	ZINC001605622945	973946188	/nfs/dbraw/zinc/94/61/88/973946188.db2.gz	KGGDUUFESDGCHG-UHFFFAOYSA-N	-1	0	263.253	0.773	20	30		CCEDRM
C[C@H](CC#N)NC(=O)COCc1ocnc1C(=O)[O-]	ZINC001592221501	977399818	/nfs/dbraw/zinc/39/98/18/977399818.db2.gz	JAJYFECPLQIIEH-SSDOTTSWSA-N	-1	0	267.241	0.308	20	30		CCEDRM
C[C@@H](CC#N)NS(=O)(=O)c1cccc(CC(=O)[O-])c1	ZINC001592225985	977414948	/nfs/dbraw/zinc/41/49/48/977414948.db2.gz	RNUDTLXFCAMSCC-VIFPVBQESA-N	-1	0	282.321	0.894	20	30		CCEDRM
C[C@H](CN1CCOCC1)Nc1ccc(C(=O)[O-])nc1C#N	ZINC001592624764	978601003	/nfs/dbraw/zinc/60/10/03/978601003.db2.gz	LRXVKICVXYDBMV-SNVBAGLBSA-N	-1	0	290.323	0.784	20	30		CCEDRM
CCC(CC)(NC(=O)[C@@H](C)n1cnc(C#N)n1)C(=O)[O-]	ZINC001595093005	979388370	/nfs/dbraw/zinc/38/83/70/979388370.db2.gz	MUBOGVPLGZFMBZ-MRVPVSSYSA-N	-1	0	279.300	0.470	20	30		CCEDRM
C[C@H](Cc1c[nH]cn1)C(=O)N(CC#N)CC(=O)[O-]	ZINC001592907516	979855979	/nfs/dbraw/zinc/85/59/79/979855979.db2.gz	PBCANNSLUXAFHP-MRVPVSSYSA-N	-1	0	250.258	0.025	20	30		CCEDRM
CC[C@@](COC)(NC(=O)c1ccc(C#N)o1)C(=O)[O-]	ZINC001595193861	979893083	/nfs/dbraw/zinc/89/30/83/979893083.db2.gz	NKDVRVUPUMTSCH-LBPRGKRZSA-N	-1	0	266.253	0.761	20	30		CCEDRM
CC[C@@](COC)(NC(=O)c1cc(O)cc(C#N)c1)C(=O)[O-]	ZINC001595195275	979912214	/nfs/dbraw/zinc/91/22/14/979912214.db2.gz	ZKXKOIAIHLRMEM-AWEZNQCLSA-N	-1	0	292.291	0.873	20	30		CCEDRM
C[C@H](NC(=O)CC(C)(C)C)C(=O)N(CC#N)CCC(=O)[O-]	ZINC001593011203	980246096	/nfs/dbraw/zinc/24/60/96/980246096.db2.gz	OGHSAUQMAJOICM-JTQLQIEISA-N	-1	0	297.355	0.754	20	30		CCEDRM
CC[C@@H](O)[C@H](C)C(=O)N1CCC(C#N)(C(=O)[O-])CC1	ZINC001595327887	980551891	/nfs/dbraw/zinc/55/18/91/980551891.db2.gz	YNWGMUZIXGDEEM-VHSXEESVSA-N	-1	0	268.313	0.610	20	30		CCEDRM
CCC[C@H](C#N)NC(=O)Cn1ccc(C(=O)[O-])n1	ZINC001595531899	981368840	/nfs/dbraw/zinc/36/88/40/981368840.db2.gz	BDZGQZOASJRCJK-MRVPVSSYSA-N	-1	0	250.258	0.390	20	30		CCEDRM
CCC[C@@](C)(NC(=O)[C@@H](C)n1cnc(C#N)n1)C(=O)[O-]	ZINC001595547175	981417854	/nfs/dbraw/zinc/41/78/54/981417854.db2.gz	XHXLAQJVOOENLH-PRHODGIISA-N	-1	0	279.300	0.470	20	30		CCEDRM
CC[C@@H](C(=O)[O-])C(=O)OCC(=O)N(CC)C[C@H](C)C#N	ZINC001594764566	981709293	/nfs/dbraw/zinc/70/92/93/981709293.db2.gz	IHABVOCOGPEVGC-ZJUUUORDSA-N	-1	0	284.312	0.649	20	30		CCEDRM
O=C(N[C@H]1C[C@@H](C(=O)[O-])C1)c1cccc(C#CCO)c1	ZINC001594794533	981872516	/nfs/dbraw/zinc/87/25/16/981872516.db2.gz	ILAINPOKNVCGOY-BETUJISGSA-N	-1	0	273.288	0.623	20	30		CCEDRM
CCC(C)(C)[C@@H](O)C(=O)N(CC#N)CCC(=O)[O-]	ZINC001594797271	981886264	/nfs/dbraw/zinc/88/62/64/981886264.db2.gz	WOIIZDKSRBFIGP-JTQLQIEISA-N	-1	0	256.302	0.610	20	30		CCEDRM
CC[C@@H](C)[C@@H](C(=O)OC)N(CC#N)CCC(=O)[O-]	ZINC001594873791	982195713	/nfs/dbraw/zinc/19/57/13/982195713.db2.gz	PMIANEVIYHHIGM-KOLCDFICSA-N	-1	0	256.302	0.874	20	30		CCEDRM
CCCCCCCn1nnnc1N1CCO[C@H](C(=O)[O-])C1	ZINC001595709004	982289121	/nfs/dbraw/zinc/28/91/21/982289121.db2.gz	QDJFFRHWFDDPGG-NSHDSACASA-N	-1	0	297.359	0.933	20	30		CCEDRM
N#Cc1ccc(C(=O)N[C@H](C[C@@H]2CCCO2)C(=O)[O-])cn1	ZINC001574245262	983201785	/nfs/dbraw/zinc/20/17/85/983201785.db2.gz	JIVUAMQUUCIACH-NWDGAFQWSA-N	-1	0	289.291	0.705	20	30		CCEDRM
N#Cc1cccc(C(=O)Nc2ccn(CC(=O)[O-])n2)n1	ZINC001574249949	983203537	/nfs/dbraw/zinc/20/35/37/983203537.db2.gz	OLCOQLXKGGXHIL-UHFFFAOYSA-N	-1	0	271.236	0.487	20	30		CCEDRM
C#C[C@@](C)(CC)NS(=O)(=O)[C@H]1CC[C@@H](C(=O)[O-])C1	ZINC001588367058	983296754	/nfs/dbraw/zinc/29/67/54/983296754.db2.gz	HTTGQXIQBISVFO-SCVCMEIPSA-N	-1	0	273.354	0.961	20	30		CCEDRM
C#CC(C)(C)NS(=O)(=O)c1n[nH]c(C)c1C(=O)[O-]	ZINC001588367517	983300223	/nfs/dbraw/zinc/30/02/23/983300223.db2.gz	XFTJDLVXPIQGBC-UHFFFAOYSA-N	-1	0	271.298	0.106	20	30		CCEDRM
C#C[C@H](C)NS(=O)(=O)CC1(C(=O)[O-])CCCC1	ZINC001588367930	983302557	/nfs/dbraw/zinc/30/25/57/983302557.db2.gz	CZEKUUUJUVEJBJ-VIFPVBQESA-N	-1	0	259.327	0.573	20	30		CCEDRM
C#C[C@@H](C)NC(=O)N1CCC(O)(C2(C(=O)[O-])CCC2)CC1	ZINC001588368149	983303429	/nfs/dbraw/zinc/30/34/29/983303429.db2.gz	HILRKECIYVKYCM-LLVKDONJSA-N	-1	0	294.351	0.800	20	30		CCEDRM
C#C[C@@H](C)NS(=O)(=O)c1cc(C(=O)[O-])c(Cl)o1	ZINC001588369046	983310576	/nfs/dbraw/zinc/31/05/76/983310576.db2.gz	YXCZPMZDVYEMFN-RXMQYKEDSA-N	-1	0	277.685	0.931	20	30		CCEDRM
C#C[C@H](CCC)NC(=O)N1C[C@@H](C)O[C@H](C(=O)[O-])C1	ZINC001588369481	983314804	/nfs/dbraw/zinc/31/48/04/983314804.db2.gz	NJFTUYYJZPINIS-MXWKQRLJSA-N	-1	0	268.313	0.672	20	30		CCEDRM
C#C[C@H](C)OC(=O)[C@H](CC(=O)[O-])NC(=O)OC(C)(C)C	ZINC001588369759	983316856	/nfs/dbraw/zinc/31/68/56/983316856.db2.gz	VTHYVISVAKOMRB-IUCAKERBSA-N	-1	0	285.296	0.919	20	30		CCEDRM
C#C[C@H](CO)NC(=O)Nc1ccc(F)c(C(=O)[O-])c1	ZINC001588370607	983320399	/nfs/dbraw/zinc/32/03/99/983320399.db2.gz	INLRLUYEEWWGBC-SSDOTTSWSA-N	-1	0	266.228	0.640	20	30		CCEDRM
C#C[C@@H](NC(=O)N1CCC([C@H](O)C(=O)[O-])CC1)C(C)C	ZINC001588371919	983325696	/nfs/dbraw/zinc/32/56/96/983325696.db2.gz	AAFMCEUHYUETHG-NEPJUHHUSA-N	-1	0	282.340	0.511	20	30		CCEDRM
C#C[C@H](NC(=O)NC[C@H]1C[C@H]1C(=O)[O-])[C@H]1CCCO1	ZINC001588371961	983326567	/nfs/dbraw/zinc/32/65/67/983326567.db2.gz	ASMRUXOQXKHHSY-CHWFTXMASA-N	-1	0	266.297	0.187	20	30		CCEDRM
C#C[C@@H](NC(=O)NC1CC(CC(=O)[O-])C1)[C@H]1CCCO1	ZINC001588372187	983328599	/nfs/dbraw/zinc/32/85/99/983328599.db2.gz	FHOBMGBCSYRYPL-KIDURHIOSA-N	-1	0	280.324	0.720	20	30		CCEDRM
C#C[C@H](NC(=O)N1CCC[C@@H]1CC(=O)[O-])[C@H]1CCCO1	ZINC001588372294	983330037	/nfs/dbraw/zinc/33/00/37/983330037.db2.gz	HRCADVABUUUHOE-GRYCIOLGSA-N	-1	0	280.324	0.816	20	30		CCEDRM
C#C[C@H](NC(=O)NCCCCC(=O)[O-])C1CCOCC1	ZINC001588372403	983330480	/nfs/dbraw/zinc/33/04/80/983330480.db2.gz	JUXNTUCANKBSKV-LBPRGKRZSA-N	-1	0	282.340	0.969	20	30		CCEDRM
C#C[C@@H](NC(=O)NC[C@H]1CCO[C@H]1C(=O)[O-])C(C)(C)C	ZINC001588372540	983331843	/nfs/dbraw/zinc/33/18/43/983331843.db2.gz	NAHXDUHDUJQBJQ-GMTAPVOTSA-N	-1	0	282.340	0.823	20	30		CCEDRM
C#C[C@@H](NC(=O)N1C[C@@H](C)O[C@H](C(=O)[O-])C1)C(C)C	ZINC001588373062	983336370	/nfs/dbraw/zinc/33/63/70/983336370.db2.gz	ZEKFKKLERFQSII-MXWKQRLJSA-N	-1	0	268.313	0.528	20	30		CCEDRM
C#CC1(F)CN(C(=O)c2ccc(C(=O)[O-])n2C)C1	ZINC001588376524	983351756	/nfs/dbraw/zinc/35/17/56/983351756.db2.gz	UOSBKDSKDJHRGS-UHFFFAOYSA-N	-1	0	250.229	0.521	20	30		CCEDRM
C#CC1(F)CN(C(=O)NC2CC(CC(=O)[O-])C2)C1	ZINC001588376866	983354318	/nfs/dbraw/zinc/35/43/18/983354318.db2.gz	YUTQZYBWVGYTQR-UHFFFAOYSA-N	-1	0	254.261	0.606	20	30		CCEDRM
C#C[C@H]1COCCN1C(=O)/C=C\c1cc(C(=O)[O-])co1	ZINC001588384025	983386149	/nfs/dbraw/zinc/38/61/49/983386149.db2.gz	SNLSSZHIUHWRST-BYCRGOAPSA-N	-1	0	275.260	0.852	20	30		CCEDRM
C#CC[C@@H](CCOC)NC(=O)Nc1ccc(C(=O)[O-])nn1	ZINC001588393418	983397651	/nfs/dbraw/zinc/39/76/51/983397651.db2.gz	FSMQMLOUKLCFGS-VIFPVBQESA-N	-1	0	292.295	0.725	20	30		CCEDRM
C#CC[C@H](NC(=O)C1(CC(C)=O)CCC1)C(=O)[O-]	ZINC001588399952	983417002	/nfs/dbraw/zinc/41/70/02/983417002.db2.gz	ZAVPAYNECIKNEZ-JTQLQIEISA-N	-1	0	251.282	0.729	20	30		CCEDRM
C#CC[C@H](NC(=O)COc1cccc(C#N)c1)C(=O)[O-]	ZINC001588406260	983425207	/nfs/dbraw/zinc/42/52/07/983425207.db2.gz	ZWKFAJQSUPSMLR-LBPRGKRZSA-N	-1	0	272.260	0.530	20	30		CCEDRM
C#CC[C@H](NC(=O)/C=C(/C)c1cnccn1)C(=O)[O-]	ZINC001588407035	983427227	/nfs/dbraw/zinc/42/72/27/983427227.db2.gz	UTGYTMKUHHKBNV-RNKPRXRFSA-N	-1	0	259.265	0.473	20	30		CCEDRM
C#CC[C@@H](NC(=O)Cc1cccc(C(=O)[O-])c1)C(=O)OC	ZINC001588408054	983430116	/nfs/dbraw/zinc/43/01/16/983430116.db2.gz	WBQDCRNUYCZTCI-GFCCVEGCSA-N	-1	0	289.287	0.608	20	30		CCEDRM
C#CC[C@@H](NC(=O)c1c2ccccc2nn1C)C(=O)[O-]	ZINC001588414642	983434557	/nfs/dbraw/zinc/43/45/57/983434557.db2.gz	XLBMBNAURAFMSA-LLVKDONJSA-N	-1	0	271.276	0.780	20	30		CCEDRM
C#CC[C@@H](NCc1ccccc1OCC(=O)[O-])C(=O)OC	ZINC001588421592	983441792	/nfs/dbraw/zinc/44/17/92/983441792.db2.gz	AOCZPEFITVQJIF-GFCCVEGCSA-N	-1	0	291.303	0.805	20	30		CCEDRM
C#CC[C@@H](NC(=O)c1nc2cnccc2s1)C(=O)[O-]	ZINC001588422214	983445136	/nfs/dbraw/zinc/44/51/36/983445136.db2.gz	UPQPXBMBXZOKRT-SSDOTTSWSA-N	-1	0	275.289	0.898	20	30		CCEDRM
C#CC[C@H](NC(=O)c1ncc2c(F)cccn21)C(=O)[O-]	ZINC001588422413	983446332	/nfs/dbraw/zinc/44/63/32/983446332.db2.gz	XUFUNWBYJSERSO-VIFPVBQESA-N	-1	0	275.239	0.680	20	30		CCEDRM
C#CC[C@H](NS(=O)(=O)c1cc(C)ns1)C(=O)[O-]	ZINC001588423600	983453466	/nfs/dbraw/zinc/45/34/66/983453466.db2.gz	MAXQYRWSBVAYDO-ZETCQYMHSA-N	-1	0	274.323	0.206	20	30		CCEDRM
C#CCC1(O)CCN(C(=O)NC2CC(CC(=O)[O-])C2)CC1	ZINC001588431960	983466799	/nfs/dbraw/zinc/46/67/99/983466799.db2.gz	SPUMTNNZCGYELT-UHFFFAOYSA-N	-1	0	294.351	0.800	20	30		CCEDRM
C#CCCOC(=O)N1C[C@H](C(=O)[O-])CC[C@@H]1C(=O)OC	ZINC001588455672	983480514	/nfs/dbraw/zinc/48/05/14/983480514.db2.gz	QTFQMGVBHPGFII-NXEZZACHSA-N	-1	0	283.280	0.485	20	30		CCEDRM
C#CCCS(=O)(=O)N[C@@H](C[C@H]1CCCOC1)C(=O)[O-]	ZINC001588458294	983483314	/nfs/dbraw/zinc/48/33/14/983483314.db2.gz	MGKFWFJRJADLAA-MNOVXSKESA-N	-1	0	289.353	0.199	20	30		CCEDRM
C#CCN(CCC(C)(C)C(=O)[O-])[C@H]1CCS(=O)(=O)C1	ZINC001588469716	983502779	/nfs/dbraw/zinc/50/27/79/983502779.db2.gz	OJNAKKNBMBFELH-NSHDSACASA-N	-1	0	287.381	0.610	20	30		CCEDRM
C#CCNC(=O)CN1CC[C@@H](c2ncc(C(=O)[O-])s2)C1	ZINC001588484279	983523726	/nfs/dbraw/zinc/52/37/26/983523726.db2.gz	YRAGILJRWHJSSL-SECBINFHSA-N	-1	0	293.348	0.380	20	30		CCEDRM
C#CCO[C@H](C)C(=O)N(C)Cc1ccc(C(=O)[O-])cn1	ZINC001588490200	983531274	/nfs/dbraw/zinc/53/12/74/983531274.db2.gz	IQAIGCQRDQZPMJ-SNVBAGLBSA-N	-1	0	276.292	0.777	20	30		CCEDRM
C#CCOc1ccc(C(=O)N[C@@](C)(CO)C(=O)[O-])cc1	ZINC001588499002	983544606	/nfs/dbraw/zinc/54/46/06/983544606.db2.gz	KDGIEZZLWZONFO-AWEZNQCLSA-N	-1	0	277.276	0.264	20	30		CCEDRM
C=C(C)C[C@H](CO)NC(=O)CC[C@@H]1C[C@H](C(=O)[O-])CO1	ZINC001588534625	983586270	/nfs/dbraw/zinc/58/62/70/983586270.db2.gz	BGJXESZFVYLRER-QJPTWQEYSA-N	-1	0	285.340	0.700	20	30		CCEDRM
C=C(C)C[C@H](C)C(=O)N1C[C@H](O)C[C@H](C(=O)[O-])C1	ZINC001588535948	983591734	/nfs/dbraw/zinc/59/17/34/983591734.db2.gz	MTKBHTDOKLFHJY-GARJFASQSA-N	-1	0	255.314	0.883	20	30		CCEDRM
C=C(C)[C@@H]1OCC[C@H]1CNS(=O)(=O)C[C@H](C)C(=O)[O-]	ZINC001588536340	983593461	/nfs/dbraw/zinc/59/34/61/983593461.db2.gz	QXPAHJGHGNGKJV-DCAQKATOSA-N	-1	0	291.369	0.608	20	30		CCEDRM
C=C(C)C[C@H](NC(=O)[C@H](C)CS(C)(=O)=O)C(=O)[O-]	ZINC001588536376	983593520	/nfs/dbraw/zinc/59/35/20/983593520.db2.gz	AHCPSXAGQYPYFO-BDAKNGLRSA-N	-1	0	277.342	0.203	20	30		CCEDRM
C=C(C)C[C@H](NC(=O)[C@H]1CCC[C@H](C(N)=O)C1)C(=O)[O-]	ZINC001588537609	983600689	/nfs/dbraw/zinc/60/06/89/983600689.db2.gz	TWVKRHNQFHBFSS-DCAQKATOSA-N	-1	0	282.340	0.814	20	30		CCEDRM
C=C(C)CCC(=O)N[C@@H](CC1OCCO1)C(=O)[O-]	ZINC001588554483	983630727	/nfs/dbraw/zinc/63/07/27/983630727.db2.gz	IAIFTTRWWRXHHS-VIFPVBQESA-N	-1	0	257.286	0.675	20	30		CCEDRM
C=C(C)CN(C)C(=O)C(=O)NCC(C)(C)CC(=O)[O-]	ZINC001588561473	983641502	/nfs/dbraw/zinc/64/15/02/983641502.db2.gz	DHBOCNSXSTZEJU-UHFFFAOYSA-N	-1	0	270.329	0.638	20	30		CCEDRM
C=C(C)CN(CC)C(=O)Cn1nc(C(=O)[O-])ccc1=O	ZINC001588562979	983644209	/nfs/dbraw/zinc/64/42/09/983644209.db2.gz	LWMJYUHONUACAL-UHFFFAOYSA-N	-1	0	279.296	0.366	20	30		CCEDRM
C=C(C)CNC(=O)C(=O)Nc1cc(C(=O)[O-])n(C)c1	ZINC001588585098	983662777	/nfs/dbraw/zinc/66/27/77/983662777.db2.gz	ITWYEOHMHQIVLI-UHFFFAOYSA-N	-1	0	265.269	0.354	20	30		CCEDRM
C=C(C)CN1CC2(C1)CN(C(=O)[C@@H]1C[C@@H]1C(=O)[O-])CCO2	ZINC001588585655	983663982	/nfs/dbraw/zinc/66/39/82/983663982.db2.gz	SIWGPRCLAXBDBH-NEPJUHHUSA-N	-1	0	294.351	0.196	20	30		CCEDRM
C=C(C)Cn1c(CO)nnc1N1CCO[C@@H](CC(=O)[O-])C1	ZINC001588597754	983680745	/nfs/dbraw/zinc/68/07/45/983680745.db2.gz	KSXZFHMKIIMGGR-JTQLQIEISA-N	-1	0	296.327	0.026	20	30		CCEDRM
C=C(C)Cn1nnnc1N(CCC(=O)[O-])C[C@H]1CCCO1	ZINC001588599224	983688526	/nfs/dbraw/zinc/68/85/26/983688526.db2.gz	JKQNBWMGGPHMEL-LLVKDONJSA-N	-1	0	295.343	0.709	20	30		CCEDRM
C=C(C)[C@H]1OCC[C@H]1C(=O)N[C@H]1CC[C@H]1C(=O)[O-]	ZINC001588599442	983690230	/nfs/dbraw/zinc/69/02/30/983690230.db2.gz	QAHNWHUBDRIYAM-CHWFTXMASA-N	-1	0	253.298	0.947	20	30		CCEDRM
C=C(CC)CNC(=O)N1CC[C@@H](n2cc(C(=O)[O-])nn2)C1	ZINC001588605816	983694759	/nfs/dbraw/zinc/69/47/59/983694759.db2.gz	OQVKUYYOOURKFV-SNVBAGLBSA-N	-1	0	293.327	0.899	20	30		CCEDRM
C=C(CCC(=O)[O-])C(=O)N(C)CC(=O)Nc1cc(C)on1	ZINC001588607054	983699809	/nfs/dbraw/zinc/69/98/09/983699809.db2.gz	QMZJXESDEOPHDM-UHFFFAOYSA-N	-1	0	295.295	0.801	20	30		CCEDRM
C=C(CCC(=O)[O-])C(=O)N(C)CCNC(=O)N(C)C	ZINC001588607122	983700230	/nfs/dbraw/zinc/70/02/30/983700230.db2.gz	UBBNWPYLHZFABL-UHFFFAOYSA-N	-1	0	271.317	0.137	20	30		CCEDRM
C=C(CCC(=O)[O-])C(=O)N1CCC(N2CCNC2=O)CC1	ZINC001588613783	983705245	/nfs/dbraw/zinc/70/52/45/983705245.db2.gz	DADVBLMMJKUWTE-UHFFFAOYSA-N	-1	0	295.339	0.424	20	30		CCEDRM
C=C(CCC(=O)[O-])C(=O)N1CCN(C[C@@H]2CCCO2)CC1	ZINC001588615047	983709899	/nfs/dbraw/zinc/70/98/99/983709899.db2.gz	IIMCWIHUZYJBTP-ZDUSSCGKSA-N	-1	0	296.367	0.731	20	30		CCEDRM
C=C(CCC(=O)[O-])C(=O)N1CC[NH+](CCC)CC1	ZINC001588615150	983710148	/nfs/dbraw/zinc/71/01/48/983710148.db2.gz	LLKPBUOMDGVLQZ-UHFFFAOYSA-N	-1	0	254.330	0.962	20	30		CCEDRM
C=C(CCC(=O)[O-])C(=O)N1CCN(CCOCC)CC1	ZINC001588615458	983712260	/nfs/dbraw/zinc/71/22/60/983712260.db2.gz	VBDPSZWDLGFTOM-UHFFFAOYSA-N	-1	0	284.356	0.588	20	30		CCEDRM
C=C(CCC(=O)[O-])C(=O)N[C@@H]1CC(C)(C)OC1=O	ZINC001588621222	983718753	/nfs/dbraw/zinc/71/87/53/983718753.db2.gz	BFVHWZYGCLNHKR-MRVPVSSYSA-N	-1	0	255.270	0.618	20	30		CCEDRM
C=C(CCC(=O)[O-])C(=O)N[C@]1(CC(=O)OC)CCOC1	ZINC001588621709	983720511	/nfs/dbraw/zinc/72/05/11/983720511.db2.gz	INQYUULXGCPEGH-ZDUSSCGKSA-N	-1	0	285.296	0.246	20	30		CCEDRM
C=C(CCC(=O)[O-])C(=O)N[C@H]1C[C@H](C)n2ncnc21	ZINC001588621957	983721362	/nfs/dbraw/zinc/72/13/62/983721362.db2.gz	MRUYRXSNWGJGGF-IUCAKERBSA-N	-1	0	264.285	0.821	20	30		CCEDRM
C=C(CCC(=O)[O-])C(=O)NC1(C(=O)OC)CCC1	ZINC001588622271	983722929	/nfs/dbraw/zinc/72/29/29/983722929.db2.gz	SVIFLDLJNJMAHR-UHFFFAOYSA-N	-1	0	255.270	0.619	20	30		CCEDRM
CCN(CCC#N)S(=O)(=O)N(CC(=O)[O-])C1CC1	ZINC001596299596	983725407	/nfs/dbraw/zinc/72/54/07/983725407.db2.gz	QCCJSICRTVDNQW-UHFFFAOYSA-N	-1	0	275.330	0.016	20	30		CCEDRM
C=C(CCC(=O)[O-])C(=O)NC[C@@H](C(C)C)N1CCOCC1	ZINC001588623800	983729995	/nfs/dbraw/zinc/72/99/95/983729995.db2.gz	XWOKLCPQECCFTH-ZDUSSCGKSA-N	-1	0	298.383	0.880	20	30		CCEDRM
C=C(CCC(=O)[O-])C(=O)Nc1cc(C(=O)OC)n(C)n1	ZINC001588629206	983735997	/nfs/dbraw/zinc/73/59/97/983735997.db2.gz	BFGVAZLTTVWZQL-UHFFFAOYSA-N	-1	0	281.268	0.566	20	30		CCEDRM
C=C(CCC(=O)[O-])C(=O)NCCn1cnnc1CC	ZINC001588629676	983738559	/nfs/dbraw/zinc/73/85/59/983738559.db2.gz	IBUUFPFCRSZRAB-UHFFFAOYSA-N	-1	0	266.301	0.378	20	30		CCEDRM
C=C(CCC(=O)[O-])C(=O)NCCc1nnc(C)n1C	ZINC001588629766	983739375	/nfs/dbraw/zinc/73/93/75/983739375.db2.gz	JWJYNQLSABQMAN-UHFFFAOYSA-N	-1	0	266.301	0.203	20	30		CCEDRM
C=C(CCC(=O)OC)C(=O)Nc1cc(C(=O)[O-])n(C)n1	ZINC001588632829	983746661	/nfs/dbraw/zinc/74/66/61/983746661.db2.gz	BDCCMYKYDDKRQY-UHFFFAOYSA-N	-1	0	281.268	0.566	20	30		CCEDRM
C=C(CO)C(=O)Nc1nnc(CCCC(=O)[O-])s1	ZINC001588636974	983758055	/nfs/dbraw/zinc/75/80/55/983758055.db2.gz	BAHMABPUOVSGGM-UHFFFAOYSA-N	-1	0	271.298	0.432	20	30		CCEDRM
C=C(CO)C(=O)Nc1nc2c(s1)CC[C@H](C(=O)[O-])C2	ZINC001588637961	983761990	/nfs/dbraw/zinc/76/19/90/983761990.db2.gz	ZSGZLPYIPXMKNI-ZETCQYMHSA-N	-1	0	282.321	0.820	20	30		CCEDRM
C=C(Cl)CN1CC(NC(=O)[C@@H]2C[C@H]2C(=O)[O-])C1	ZINC001588642664	983765084	/nfs/dbraw/zinc/76/50/84/983765084.db2.gz	ZYOOUURJWHAOPO-RKDXNWHRSA-N	-1	0	258.705	0.260	20	30		CCEDRM
C=C[C@H](C(=O)[O-])N1CCN(C(=O)N2CCCCC2)CC1	ZINC001588663073	983793110	/nfs/dbraw/zinc/79/31/10/983793110.db2.gz	JJEDJOLFWDJBMY-GFCCVEGCSA-N	-1	0	281.356	0.849	20	30		CCEDRM
C=C[C@H](C(=O)[O-])N1CCN(C(=O)CC(C)C)CC1	ZINC001588663107	983793609	/nfs/dbraw/zinc/79/36/09/983793609.db2.gz	KBKUQMAECDAKFV-LLVKDONJSA-N	-1	0	254.330	0.816	20	30		CCEDRM
C=C[C@H](C(=O)OC)N1CCC[C@H](n2cc(C(=O)[O-])nn2)C1	ZINC001588671790	983822648	/nfs/dbraw/zinc/82/26/48/983822648.db2.gz	IPGNPCDYJFOFSW-GXSJLCMTSA-N	-1	0	294.311	0.341	20	30		CCEDRM
C=C[C@@](C)(O)c1cn(C[C@H]2CC(C(=O)[O-])=C(C)O2)nn1	ZINC001588684249	983856903	/nfs/dbraw/zinc/85/69/03/983856903.db2.gz	NUVXMWNOIRDVDJ-NOZJJQNGSA-N	-1	0	279.296	0.819	20	30		CCEDRM
C=C[C@](C)(O)CC(=O)N1CC[C@H](C(=O)OC)C[C@@H]1C(=O)[O-]	ZINC001588684525	983860450	/nfs/dbraw/zinc/86/04/50/983860450.db2.gz	SJPOJPWTPFRNMU-RBZYPMLTSA-N	-1	0	299.323	0.178	20	30		CCEDRM
C=C[C@H](COC)NC(=O)N1CC[C@@H](C(=O)[O-])[C@H]1C	ZINC001588692576	983883895	/nfs/dbraw/zinc/88/38/95/983883895.db2.gz	FAEOEZKKVARIGE-OPRDCNLKSA-N	-1	0	256.302	0.692	20	30		CCEDRM
C=C[C@@H](NCc1cccc(N2CCOCC2)n1)C(=O)[O-]	ZINC001588701683	983915570	/nfs/dbraw/zinc/91/55/70/983915570.db2.gz	WLJFPUXPXUEJLX-GFCCVEGCSA-N	-1	0	277.324	0.647	20	30		CCEDRM
C=C[C@H](OC(=O)c1cc(Br)n(C)n1)C(=O)[O-]	ZINC001588712062	983941643	/nfs/dbraw/zinc/94/16/43/983941643.db2.gz	GAMQIUVOBIBJLQ-LURJTMIESA-N	-1	0	289.085	0.979	20	30		CCEDRM
C=C[C@@H](OC(=O)c1csc(C(=O)[O-])n1)C(=O)OC	ZINC001588712786	983946438	/nfs/dbraw/zinc/94/64/38/983946438.db2.gz	NGCOPTMAXMUEAC-ZCFIWIBFSA-N	-1	0	271.250	0.726	20	30		CCEDRM
C=CC[C@H](C(=O)[O-])N1CCO[C@H](CC(=O)OC)C1	ZINC001588731272	984007286	/nfs/dbraw/zinc/00/72/86/984007286.db2.gz	HDGUQZVESPACKA-NXEZZACHSA-N	-1	0	257.286	0.280	20	30		CCEDRM
C=CCC(C)(C)C(=O)N1C[C@H](C(=O)[O-])[C@@H](C(=O)OC)C1	ZINC001588731930	984013383	/nfs/dbraw/zinc/01/33/83/984013383.db2.gz	QVCGUSOBPNWXKA-UWVGGRQHSA-N	-1	0	283.324	0.921	20	30		CCEDRM
C=CC[C@@H](CO)NC(=O)N[C@H]1C[C@@H]2C[C@]2(C(=O)[O-])C1	ZINC001588745271	984050472	/nfs/dbraw/zinc/05/04/72/984050472.db2.gz	XDGLRCDPDYOLCO-QYTUQVAYSA-N	-1	0	268.313	0.476	20	30		CCEDRM
C=CC[C@H](OC(=O)[C@@]1(COC)CCOC1)C(=O)[O-]	ZINC001588750942	984074413	/nfs/dbraw/zinc/07/44/13/984074413.db2.gz	ILCFVVICCFPULQ-JOYOIKCWSA-N	-1	0	258.270	0.612	20	30		CCEDRM
C=CC[C@@H](OC(=O)[C@H](NC(C)=O)C(C)C)C(=O)[O-]	ZINC001588751522	984077074	/nfs/dbraw/zinc/07/70/74/984077074.db2.gz	NQLPRSBJNJYNPS-NXEZZACHSA-N	-1	0	257.286	0.720	20	30		CCEDRM
C=CC[C@H](OC(=O)COCc1nnc(C)s1)C(=O)[O-]	ZINC001588753614	984087465	/nfs/dbraw/zinc/08/74/65/984087465.db2.gz	KUXNWTMPNRCLBU-QMMMGPOBSA-N	-1	0	286.309	0.936	20	30		CCEDRM
C=CC[C@H](OC(=O)CCCC(=O)N(C)C)C(=O)[O-]	ZINC001588754018	984091089	/nfs/dbraw/zinc/09/10/89/984091089.db2.gz	RIHSKWGMXIAUDG-VIFPVBQESA-N	-1	0	257.286	0.817	20	30		CCEDRM
C=CC[C@H](OC(=O)[C@@H]1CC[C@H](C(N)=O)C1)C(=O)[O-]	ZINC001588756711	984099174	/nfs/dbraw/zinc/09/91/74/984099174.db2.gz	NDZJLKYGKIQNJB-YIZRAAEISA-N	-1	0	255.270	0.461	20	30		CCEDRM
C=CC[C@H](OC(=O)[C@H](C)NC(=O)c1ccco1)C(=O)[O-]	ZINC001588757059	984101207	/nfs/dbraw/zinc/10/12/07/984101207.db2.gz	UAUXJYPEFPZMNI-WPRPVWTQSA-N	-1	0	281.264	0.970	20	30		CCEDRM
C=CC[C@@H](Sc1nnc(C)n1CC(N)=O)C(=O)[O-]	ZINC001588762919	984117559	/nfs/dbraw/zinc/11/75/59/984117559.db2.gz	NGFPOTNKURJSLF-SSDOTTSWSA-N	-1	0	270.314	0.193	20	30		CCEDRM
C=CCCC(C)(C)CNC(=O)C(=O)NC[C@H]1C[C@H]1C(=O)[O-]	ZINC001588776662	984152468	/nfs/dbraw/zinc/15/24/68/984152468.db2.gz	ACGZHQWCNVERBE-GHMZBOCLSA-N	-1	0	296.367	0.932	20	30		CCEDRM
C=CCCC(=O)O[C@@H]1CCN(CCC(=O)[O-])C1=O	ZINC001588776836	984153649	/nfs/dbraw/zinc/15/36/49/984153649.db2.gz	JDYIXDKAHOZRHL-SECBINFHSA-N	-1	0	255.270	0.571	20	30		CCEDRM
C=CCCC(=O)NCCN(CC)C(=O)[C@@H]1C[C@@H]1C(=O)[O-]	ZINC001588777013	984154896	/nfs/dbraw/zinc/15/48/96/984154896.db2.gz	RIEBVOGJWGANLO-MNOVXSKESA-N	-1	0	282.340	0.638	20	30		CCEDRM
C=CCCC[C@H](NC(=O)[C@H](C)[C@H]1CCC(=O)N1)C(=O)[O-]	ZINC001588787335	984186187	/nfs/dbraw/zinc/18/61/87/984186187.db2.gz	VOFOPMSHZHEHNR-MXWKQRLJSA-N	-1	0	282.340	0.827	20	30		CCEDRM
C=CCCC[C@H](NC(=O)[C@@]1(COC)CCOC1)C(=O)[O-]	ZINC001588789536	984199306	/nfs/dbraw/zinc/19/93/06/984199306.db2.gz	DPYMJBYECXIVRA-SMDDNHRTSA-N	-1	0	285.340	0.965	20	30		CCEDRM
C=CCCC[C@H](NC(=O)[C@H]1CC[C@H]1C(N)=O)C(=O)[O-]	ZINC001588790319	984205837	/nfs/dbraw/zinc/20/58/37/984205837.db2.gz	VMUDTMAUDSAVDF-UTLUCORTSA-N	-1	0	268.313	0.424	20	30		CCEDRM
C=CCCC[C@H](NS(=O)(=O)Cc1ccon1)C(=O)[O-]	ZINC001588797910	984231565	/nfs/dbraw/zinc/23/15/65/984231565.db2.gz	NNDVFWCNJJVKLI-JTQLQIEISA-N	-1	0	288.325	0.904	20	30		CCEDRM
C=CCCC[C@@H](NS(=O)(=O)NC(C)C)C(=O)[O-]	ZINC001588798018	984232802	/nfs/dbraw/zinc/23/28/02/984232802.db2.gz	RHXZHHGYZLJGFA-SECBINFHSA-N	-1	0	264.347	0.628	20	30		CCEDRM
C=CCCNC(=O)Cn1cccc(C(=O)[O-])c1=O	ZINC001588807746	984261023	/nfs/dbraw/zinc/26/10/23/984261023.db2.gz	WWTOGJIASINZON-UHFFFAOYSA-N	-1	0	250.254	0.239	20	30		CCEDRM
C=CCCOCCn1nnnc1N1CC[C@@H](C(=O)[O-])C1	ZINC001588813332	984269807	/nfs/dbraw/zinc/26/98/07/984269807.db2.gz	NEAMZNQKHYDQMR-SNVBAGLBSA-N	-1	0	281.316	0.177	20	30		CCEDRM
C=CCCc1ccc(S(=O)(=O)N[C@H](CO)C(=O)[O-])cc1	ZINC001588814693	984272272	/nfs/dbraw/zinc/27/22/72/984272272.db2.gz	LZIBSYCRPPGNDB-GFCCVEGCSA-N	-1	0	299.348	0.529	20	30		CCEDRM
C=CCCn1cc(C(=O)Nc2ccnc(C(=O)[O-])n2)nn1	ZINC001588817730	984277353	/nfs/dbraw/zinc/27/73/53/984277353.db2.gz	SVBQNSOLRXAUQV-UHFFFAOYSA-N	-1	0	288.267	0.595	20	30		CCEDRM
C=CCCn1cc(C(=O)N[C@H](C)/C=C\C(=O)[O-])nn1	ZINC001588817900	984277844	/nfs/dbraw/zinc/27/78/44/984277844.db2.gz	XWCUQDXKTNPCKY-SSJHQANKSA-N	-1	0	264.285	0.613	20	30		CCEDRM
C=CCCn1cc(CNc2ccnc(C(=O)[O-])n2)nn1	ZINC001588819679	984278710	/nfs/dbraw/zinc/27/87/10/984278710.db2.gz	AAUCYOGTQKXLTL-UHFFFAOYSA-N	-1	0	274.284	0.376	20	30		CCEDRM
C=CCN(CC(=O)OCC)c1nccc(C(=O)[O-])n1	ZINC001588824129	984297269	/nfs/dbraw/zinc/29/72/69/984297269.db2.gz	ULPCMNUETGEBQR-UHFFFAOYSA-N	-1	0	265.269	0.730	20	30		CCEDRM
C=CCN(CC=C)C(=O)CN1CCC(C#N)(C(=O)[O-])CC1	ZINC001588825137	984297901	/nfs/dbraw/zinc/29/79/01/984297901.db2.gz	BFGDZVQZNFVBOS-UHFFFAOYSA-N	-1	0	291.351	0.877	20	30		CCEDRM
C=CCN1CC[C@H](n2cc(C[C@H](CC)C(=O)[O-])nn2)C1=O	ZINC001588839094	984344198	/nfs/dbraw/zinc/34/41/98/984344198.db2.gz	NJKCQOWUMZMKKA-JQWIXIFHSA-N	-1	0	292.339	0.891	20	30		CCEDRM
C=CCN1CC[C@H](OC(=O)c2ccc(C(=O)[O-])cn2)C1=O	ZINC001588839915	984350857	/nfs/dbraw/zinc/35/08/57/984350857.db2.gz	XWYWORJDQYXHFC-NSHDSACASA-N	-1	0	290.275	0.724	20	30		CCEDRM
C=CCN1CC[C@H](SC[C@H](NC(C)=O)C(=O)[O-])C1=O	ZINC001588839899	984351050	/nfs/dbraw/zinc/35/10/50/984351050.db2.gz	XRTWWFOFQNJZOM-UWVGGRQHSA-N	-1	0	286.353	0.096	20	30		CCEDRM
C=CCNC(=O)COC(=O)c1cc(C)c(C(=O)[O-])o1	ZINC001588844158	984355690	/nfs/dbraw/zinc/35/56/90/984355690.db2.gz	DBTDGIGOKSBDDH-UHFFFAOYSA-N	-1	0	267.237	0.745	20	30		CCEDRM
C=CCNC(=S)N1CC[C@@H](n2cc(C(=O)[O-])nn2)C1	ZINC001588845379	984362090	/nfs/dbraw/zinc/36/20/90/984362090.db2.gz	JRQWMJQOZRQFHN-MRVPVSSYSA-N	-1	0	281.341	0.284	20	30		CCEDRM
C=CCOC[C@@H](NC(=O)CCc1cnccn1)C(=O)[O-]	ZINC001588853720	984385530	/nfs/dbraw/zinc/38/55/30/984385530.db2.gz	GJRROTDZXUFUJM-LLVKDONJSA-N	-1	0	279.296	0.181	20	30		CCEDRM
C=CCOC[C@H](NC(=O)N1CCSCC1)C(=O)[O-]	ZINC001588856342	984398726	/nfs/dbraw/zinc/39/87/26/984398726.db2.gz	GZPLWDNPQMIWPM-VIFPVBQESA-N	-1	0	274.342	0.401	20	30		CCEDRM
C=CCOC[C@@H](NC(=O)C12CC(C(=O)[O-])(C1)C2)C(=O)OC	ZINC001588856318	984399192	/nfs/dbraw/zinc/39/91/92/984399192.db2.gz	YAHIGWGNIOZPFX-BZFQTPOWSA-N	-1	0	297.307	0.102	20	30		CCEDRM
C=CCOC[C@@H](NC(=O)N1C[C@@H](C)O[C@@H](C)C1)C(=O)[O-]	ZINC001588856630	984401361	/nfs/dbraw/zinc/40/13/61/984401361.db2.gz	NYSJPKRSXDVKLL-OUAUKWLOSA-N	-1	0	286.328	0.461	20	30		CCEDRM
C=CCOC[C@@H](NC(=O)c1cn2cccnc2n1)C(=O)[O-]	ZINC001588860160	984411260	/nfs/dbraw/zinc/41/12/60/984411260.db2.gz	KPUWCOGHVLXDDF-SNVBAGLBSA-N	-1	0	290.279	0.115	20	30		CCEDRM
C=CCOC[C@H](NC(=O)c1ncc(C#N)cc1C)C(=O)[O-]	ZINC001588860212	984411767	/nfs/dbraw/zinc/41/17/67/984411767.db2.gz	MJEJEZWWAIERRI-NSHDSACASA-N	-1	0	289.291	0.647	20	30		CCEDRM
C=CCOC[C@@H](NC(=O)c1ccc(NC)nc1)C(=O)[O-]	ZINC001588861067	984414162	/nfs/dbraw/zinc/41/41/62/984414162.db2.gz	AEXKLLRSNZHGSL-SNVBAGLBSA-N	-1	0	279.296	0.509	20	30		CCEDRM
C=CCOC[C@@H](NCc1nccnc1OC)C(=O)[O-]	ZINC001588867019	984429834	/nfs/dbraw/zinc/42/98/34/984429834.db2.gz	TUGNLVLPGRGNLC-SNVBAGLBSA-N	-1	0	267.285	0.231	20	30		CCEDRM
C=CCOCCOC(=O)Cn1cc(C(=O)[O-])cn1	ZINC001588868723	984434888	/nfs/dbraw/zinc/43/48/88/984434888.db2.gz	UBBKGFUROZBNPD-UHFFFAOYSA-N	-1	0	254.242	0.327	20	30		CCEDRM
C=CCOCCCNS(=O)(=O)c1occc1C(=O)[O-]	ZINC001588869106	984438295	/nfs/dbraw/zinc/43/82/95/984438295.db2.gz	RWHOHMUEAXMLCH-UHFFFAOYSA-N	-1	0	289.309	0.849	20	30		CCEDRM
C=CCn1cc(C(=O)N[C@H](C[C@@H]2CCCO2)C(=O)[O-])nn1	ZINC001588910107	984547137	/nfs/dbraw/zinc/54/71/37/984547137.db2.gz	LDZCIMWGGGUCHI-VHSXEESVSA-N	-1	0	294.311	0.216	20	30		CCEDRM
C=CCn1cc(C(=O)Nc2cc(C(=O)[O-])nn2C)nn1	ZINC001588910290	984548400	/nfs/dbraw/zinc/54/84/00/984548400.db2.gz	OWJNWDXHWKRKLB-UHFFFAOYSA-N	-1	0	276.256	0.148	20	30		CCEDRM
C=C[C@H](CO)NS(=O)(=O)CC1(C(=O)[O-])CCCC1	ZINC001588919207	984570455	/nfs/dbraw/zinc/57/04/55/984570455.db2.gz	BLHKNJWTQLCHTM-SECBINFHSA-N	-1	0	277.342	0.098	20	30		CCEDRM
C=C[C@H](CO)NC(=O)c1ccc(C(=O)[O-])cc1F	ZINC001588919810	984574709	/nfs/dbraw/zinc/57/47/09/984574709.db2.gz	PKLLQZRPEHYHGN-MRVPVSSYSA-N	-1	0	253.229	0.801	20	30		CCEDRM
C=C[C@@H]1OCC[C@H]1NC(=O)c1c[nH]c(C(=O)[O-])c1	ZINC001588919904	984575151	/nfs/dbraw/zinc/57/51/51/984575151.db2.gz	OHAOCFPKFVTYCE-SCZZXKLOSA-N	-1	0	250.254	0.786	20	30		CCEDRM
CC#CCCCC(=O)N1C[C@@H](O)C[C@H](C(=O)[O-])C1	ZINC001588925325	984586315	/nfs/dbraw/zinc/58/63/15/984586315.db2.gz	OYYMTHWKSSANGR-QWRGUYRKSA-N	-1	0	253.298	0.474	20	30		CCEDRM
CC#CC[C@H](CO)NC(=O)c1ccc(C(=O)[O-])s1	ZINC001588925947	984589955	/nfs/dbraw/zinc/58/99/55/984589955.db2.gz	BVMVYYUPKIEJCV-MRVPVSSYSA-N	-1	0	267.306	0.950	20	30		CCEDRM
CC#CC[C@H](CO)NC(=O)c1ccnc(C(=O)[O-])c1	ZINC001588926438	984593824	/nfs/dbraw/zinc/59/38/24/984593824.db2.gz	YAZNQKRVKRKMKP-SNVBAGLBSA-N	-1	0	262.265	0.284	20	30		CCEDRM
C/C(=C/CNC(=O)[C@@]1(C#N)CCCOC1)C(=O)[O-]	ZINC001588965362	984755623	/nfs/dbraw/zinc/75/56/23/984755623.db2.gz	WSDJEOFKFNCIPZ-KNVNGTOESA-N	-1	0	252.270	0.454	20	30		CCEDRM
C/C(=C\CNC(=O)[C@]1(C#N)CCCOC1)C(=O)[O-]	ZINC001588965361	984756059	/nfs/dbraw/zinc/75/60/59/984756059.db2.gz	WSDJEOFKFNCIPZ-KBNZMGLGSA-N	-1	0	252.270	0.454	20	30		CCEDRM
C[C@H]1CN(c2nnc(CCCC#N)n2C)C[C@@H](C(=O)[O-])O1	ZINC001599934904	985377666	/nfs/dbraw/zinc/37/76/66/985377666.db2.gz	INNOQSGSDUBOSC-UWVGGRQHSA-N	-1	0	293.327	0.340	20	30		CCEDRM
C[C@@H]1CN(C(=O)c2cc(C(=O)[O-])no2)C[C@@H](C)N1CC#N	ZINC001594490313	985601931	/nfs/dbraw/zinc/60/19/31/985601931.db2.gz	ZQMRFFJEGYUZJA-RKDXNWHRSA-N	-1	0	292.295	0.431	20	30		CCEDRM
C[C@H](C#N)CN(C)CC(=O)NC1(C(=O)[O-])CCCCC1	ZINC001589329158	986162567	/nfs/dbraw/zinc/16/25/67/986162567.db2.gz	KBTXTVHVPGEYFS-LLVKDONJSA-N	-1	0	281.356	0.982	20	30		CCEDRM
C[C@@H]1CN(Cc2cccc(C(=O)[O-])c2C#N)CC(=O)N1C	ZINC001594542727	986188609	/nfs/dbraw/zinc/18/86/09/986188609.db2.gz	STDMXPATKMHDHY-SNVBAGLBSA-N	-1	0	287.319	0.919	20	30		CCEDRM
C[C@@H](C#N)OCCOC(=O)C12CC(C(=O)[O-])(C1)C2	ZINC001589331884	986193481	/nfs/dbraw/zinc/19/34/81/986193481.db2.gz	RXAXAHLKOUGTBU-RKWZHAFESA-N	-1	0	253.254	0.713	20	30		CCEDRM
C[C@H](C#N)N(C1CC1)S(=O)(=O)CC1(CC(=O)[O-])CC1	ZINC001589332135	986197206	/nfs/dbraw/zinc/19/72/06/986197206.db2.gz	YZNNWFTXEJWZTA-SECBINFHSA-N	-1	0	286.353	0.948	20	30		CCEDRM
C[C@H](C(=O)N(CC#N)CCC(=O)[O-])c1cncnc1	ZINC001589342115	986263904	/nfs/dbraw/zinc/26/39/04/986263904.db2.gz	UMKQYVPLDJPNQS-VIFPVBQESA-N	-1	0	262.269	0.407	20	30		CCEDRM
C[C@@H](C(=O)NCC(=O)[O-])N(C)Cc1ccc(C#N)cc1	ZINC001589398027	986545771	/nfs/dbraw/zinc/54/57/71/986545771.db2.gz	ZHYBUPQEKNHJPF-JTQLQIEISA-N	-1	0	275.308	0.579	20	30		CCEDRM
C[C@@H](C(=O)NCC(=O)[O-])N1Cc2cccc(C#N)c2C1	ZINC001589401468	986572099	/nfs/dbraw/zinc/57/20/99/986572099.db2.gz	SYQACDMZLICWFH-VIFPVBQESA-N	-1	0	273.292	0.463	20	30		CCEDRM
C[C@@H](C(=O)N[C@@H](C(=O)[O-])c1ccccc1)n1cnc(C#N)n1	ZINC001589424188	986689170	/nfs/dbraw/zinc/68/91/70/986689170.db2.gz	RNISVHSQTXZJPU-JOYOIKCWSA-N	-1	0	299.290	0.653	20	30		CCEDRM
CC(C)(C#N)CC(=O)OCC(=O)NCCC(=O)[O-]	ZINC001589553899	987295196	/nfs/dbraw/zinc/29/51/96/987295196.db2.gz	MOBUTGIEPIMVHY-UHFFFAOYSA-N	-1	0	256.258	0.060	20	30		CCEDRM
CC(C)(C#N)CS(=O)(=O)NCc1nc(C(=O)[O-])co1	ZINC001589558575	987310348	/nfs/dbraw/zinc/31/03/48/987310348.db2.gz	RGENKZNMWQLAPM-UHFFFAOYSA-N	-1	0	287.297	0.342	20	30		CCEDRM
C[C@@H](C#N)NS(=O)(=O)c1ccc(C(=O)[O-])c(F)c1	ZINC001599830323	988662401	/nfs/dbraw/zinc/66/24/01/988662401.db2.gz	OLMLZAXRHMJJDU-LURJTMIESA-N	-1	0	272.257	0.714	20	30		CCEDRM
CCc1nn(C)c(CC)c1CC(=O)N(CC#N)CC(=O)[O-]	ZINC001597712480	988976731	/nfs/dbraw/zinc/97/67/31/988976731.db2.gz	VRVBXHDWLYBERB-UHFFFAOYSA-N	-1	0	292.339	0.524	20	30		CCEDRM
C[C@@H]1C[C@H](C(=O)N2CCSC[C@@H]2C#N)O[C@H]1C(=O)[O-]	ZINC001599873609	989388161	/nfs/dbraw/zinc/38/81/61/989388161.db2.gz	GBEWAXDYZSVRIV-UTINFBMNSA-N	-1	0	284.337	0.332	20	30		CCEDRM
CCn1ncc(C(=O)N(CC#N)CCC(=O)[O-])c1C	ZINC001597950987	989948941	/nfs/dbraw/zinc/94/89/41/989948941.db2.gz	VJIPDPGEVYPFMQ-UHFFFAOYSA-N	-1	0	264.285	0.652	20	30		CCEDRM
CC(C)(CCC#N)CN1C(=O)N[C@H]([C@@H]2C[C@H]2C(=O)[O-])C1=O	ZINC001590654314	990346237	/nfs/dbraw/zinc/34/62/37/990346237.db2.gz	MXFBKJTYVUAZCZ-OPRDCNLKSA-N	-1	0	293.323	0.957	20	30		CCEDRM
CN(C)C[C@](C)(C#N)NC(=O)c1cc(C(=O)[O-])co1	ZINC001598199589	990809167	/nfs/dbraw/zinc/80/91/67/990809167.db2.gz	LMVKIRFOLDDGLW-LBPRGKRZSA-N	-1	0	265.269	0.551	20	30		CCEDRM
CN(C)C[C@](C)(C#N)NC(=O)/C=C\c1ccc(C(=O)[O-])o1	ZINC001598200108	990812406	/nfs/dbraw/zinc/81/24/06/990812406.db2.gz	YYJYFMJKOBNNJK-VSKVDJIOSA-N	-1	0	291.307	0.951	20	30		CCEDRM
CC(C)C#CC(=O)N[C@H](C[C@@H]1CCCO1)C(=O)[O-]	ZINC001590927059	990929754	/nfs/dbraw/zinc/92/97/54/990929754.db2.gz	PZKGYDISBDLYRF-WDEREUQCSA-N	-1	0	253.298	0.784	20	30		CCEDRM
CC(C)C#CC(=O)N[C@@H](C)CNc1ncc(C(=O)[O-])cn1	ZINC001590927634	990935252	/nfs/dbraw/zinc/93/52/52/990935252.db2.gz	FUPKVPKDKFKGNW-JTQLQIEISA-N	-1	0	290.323	0.751	20	30		CCEDRM
CC(C)C(=O)N1CCC[C@H]1C(=O)N(CC#N)CCC(=O)[O-]	ZINC001590933445	990948621	/nfs/dbraw/zinc/94/86/21/990948621.db2.gz	KUJOVSDDZDWKJF-NSHDSACASA-N	-1	0	295.339	0.460	20	30		CCEDRM
CC(C)C[C@H](NC(=O)CN(C)C[C@@H](C)C#N)C(=O)[O-]	ZINC001591161016	991911998	/nfs/dbraw/zinc/91/19/98/991911998.db2.gz	FTQQHSNOGTZMRV-QWRGUYRKSA-N	-1	0	269.345	0.693	20	30		CCEDRM
CC(C)NC(=O)[C@H](C#N)C(=O)[C@H]1C[C@@H](C(=O)[O-])C1	ZINC001591635117	992943468	/nfs/dbraw/zinc/94/34/68/992943468.db2.gz	LHCSQPUGNZFZQB-HRDYMLBCSA-N	-1	0	252.270	0.331	20	30		CCEDRM
CN1CC[C@](C)(C(=O)N2CCC(C#N)(C(=O)[O-])CC2)C1=O	ZINC001598579940	993326680	/nfs/dbraw/zinc/32/66/80/993326680.db2.gz	ZQZYPLAIHCRJGA-ZDUSSCGKSA-N	-1	0	293.323	0.072	20	30		CCEDRM
CNC(=O)[C@@H](C#N)C(=O)Cc1ccccc1C(=O)[O-]	ZINC001598630407	994165442	/nfs/dbraw/zinc/16/54/42/994165442.db2.gz	LKUVADPGYBBXQP-JTQLQIEISA-N	-1	0	260.249	0.382	20	30		CCEDRM
COc1cccc(OCCC(=O)N(CC#N)CC(=O)[O-])c1	ZINC001599682334	995002346	/nfs/dbraw/zinc/00/23/46/995002346.db2.gz	ZTKPGVQTHRNBAO-UHFFFAOYSA-N	-1	0	292.291	0.901	20	30		CCEDRM
C[C@](O)(CNc1c(C#N)cccc1[N+](=O)[O-])C(=O)[O-]	ZINC001593417284	995204780	/nfs/dbraw/zinc/20/47/80/995204780.db2.gz	QUUBQUTUSMLBHR-NSHDSACASA-N	-1	0	265.225	0.714	20	30		CCEDRM
C[C@H](OC(=O)Cc1ccc(C#N)nc1)C(=O)C(=O)[O-]	ZINC001593534846	995592019	/nfs/dbraw/zinc/59/20/19/995592019.db2.gz	JEEYTYHMYUKSRO-ZETCQYMHSA-N	-1	0	262.221	0.081	20	30		CCEDRM
COC(=O)[C@H]1C[C@@H](C(=O)[O-])CCN1CCCC#N	ZINC001598754792	995700550	/nfs/dbraw/zinc/70/05/50/995700550.db2.gz	YUQHZHPRYBIQBZ-VHSXEESVSA-N	-1	0	254.286	0.628	20	30		CCEDRM
COC(=O)[C@@H]1CCN(Cc2ccc(C#N)o2)[C@@H](C(=O)[O-])C1	ZINC001598799061	996126663	/nfs/dbraw/zinc/12/66/63/996126663.db2.gz	HIFIRGUQKNRNPT-BXKDBHETSA-N	-1	0	292.291	0.989	20	30		CCEDRM
COC(=O)[C@@H]1CCN(Cc2ccc(C#N)o2)[C@H](C(=O)[O-])C1	ZINC001598799064	996126740	/nfs/dbraw/zinc/12/67/40/996126740.db2.gz	HIFIRGUQKNRNPT-SKDRFNHKSA-N	-1	0	292.291	0.989	20	30		CCEDRM
C[C@]1(C#N)CCCN(S(=O)(=O)C2(C(=O)[O-])CCC2)C1	ZINC001593743183	996365959	/nfs/dbraw/zinc/36/59/59/996365959.db2.gz	PZWHNYLGUSVZEH-LLVKDONJSA-N	-1	0	286.353	0.949	20	30		CCEDRM
C[C@]1(C#N)CN(C(=O)NCCCC(=O)[O-])CCO1	ZINC001593743628	996369770	/nfs/dbraw/zinc/36/97/70/996369770.db2.gz	WUPUIMGMPCRESX-NSHDSACASA-N	-1	0	255.274	0.175	20	30		CCEDRM
C[C@]1(C#N)CN(C(=S)NCCCC(=O)[O-])CCO1	ZINC001593743573	996369852	/nfs/dbraw/zinc/36/98/52/996369852.db2.gz	UPIFAZWGDRTZHO-NSHDSACASA-N	-1	0	271.342	0.340	20	30		CCEDRM
COC(=O)[C@@H]1CN(c2cc(C)ncc2C#N)C[C@H]1C(=O)[O-]	ZINC001598830482	996431507	/nfs/dbraw/zinc/43/15/07/996431507.db2.gz	YBYJQVSCFFVWPF-GHMZBOCLSA-N	-1	0	289.291	0.572	20	30		CCEDRM
CC1(C(=O)[O-])CN(C(=O)CC2(C#N)CCOCC2)C1	ZINC001593801732	996525204	/nfs/dbraw/zinc/52/52/04/996525204.db2.gz	HIVOYEDVBDWPJU-UHFFFAOYSA-N	-1	0	266.297	0.630	20	30		CCEDRM
COC(=O)CCN(CC#N)C(=O)c1oc(C(=O)[O-])cc1C	ZINC001598855022	996631019	/nfs/dbraw/zinc/63/10/19/996631019.db2.gz	MBISIIVKRULMPO-UHFFFAOYSA-N	-1	0	294.263	0.815	20	30		CCEDRM
COC(=O)CCN(CC#N)Cc1ccc(C(=O)[O-])cn1	ZINC001598855653	996636300	/nfs/dbraw/zinc/63/63/00/996636300.db2.gz	WVKVTJSKRVTUOG-UHFFFAOYSA-N	-1	0	277.280	0.668	20	30		CCEDRM
COC[C@@H](O)C(=O)OCc1cccc(C(=O)[O-])c1C#N	ZINC001599178227	996893832	/nfs/dbraw/zinc/89/38/32/996893832.db2.gz	MAJMKGVOCKIGEK-LLVKDONJSA-N	-1	0	279.248	0.307	20	30		CCEDRM
COC[C@@H](OC(=O)Cc1ccccc1CC#N)C(=O)[O-]	ZINC001599180350	996932074	/nfs/dbraw/zinc/93/20/74/996932074.db2.gz	KCCPAMYZFRHUEP-GFCCVEGCSA-N	-1	0	277.276	0.938	20	30		CCEDRM
COc1cc(C(=O)O[C@H](C)C(=O)C(=O)[O-])ccc1C#N	ZINC001599386452	996954224	/nfs/dbraw/zinc/95/42/24/996954224.db2.gz	TUUYMOQRXMSYFM-SSDOTTSWSA-N	-1	0	277.232	0.766	20	30		CCEDRM
COC[C@H](OC(=O)c1ccnc(C#N)c1)C(=O)[O-]	ZINC001599183163	996979509	/nfs/dbraw/zinc/97/95/09/996979509.db2.gz	UWDZVAPZYABURZ-VIFPVBQESA-N	-1	0	250.210	0.210	20	30		CCEDRM
CC1(C)CNC(=O)[C@@H]1N[C@H](C(=O)[O-])c1cccc(C#N)c1	ZINC001593949811	997019623	/nfs/dbraw/zinc/01/96/23/997019623.db2.gz	ZDXGLKBWMPYNDW-RYUDHWBXSA-N	-1	0	287.319	0.798	20	30		CCEDRM
COC[C@H](OC(=O)c1ccc(C#N)c(OC)c1)C(=O)[O-]	ZINC001599185745	997021960	/nfs/dbraw/zinc/02/19/60/997021960.db2.gz	WMCGBHKHXBXVJW-NSHDSACASA-N	-1	0	279.248	0.823	20	30		CCEDRM
COc1ccc(C(=O)[O-])cc1Cn1cnc(C#N)cc1=O	ZINC001599501105	997122259	/nfs/dbraw/zinc/12/22/59/997122259.db2.gz	AVOWLRIPVSLLJQ-UHFFFAOYSA-N	-1	0	285.259	0.870	20	30		CCEDRM
COCc1nc(NC(=O)C=NOC)sc1C(=O)[O-]	ZINC001599304988	997298103	/nfs/dbraw/zinc/29/81/03/997298103.db2.gz	XJCAKKFWIGVDCZ-UHFFFAOYSA-N	-1	0	273.270	0.558	20	30		CCEDRM
CON=Cc1ccc(C(=O)NC[C@H](F)C(=O)[O-])cc1	ZINC001599320479	997572369	/nfs/dbraw/zinc/57/23/69/997572369.db2.gz	HOFXFVGVPMJCTO-JTQLQIEISA-N	-1	0	268.244	0.819	20	30		CCEDRM
COc1c(C(=O)[O-])ncnc1N(C)C[C@H](C)C#N	ZINC001599330412	997738917	/nfs/dbraw/zinc/73/89/17/997738917.db2.gz	XCEXUBZYBKQTAW-SSDOTTSWSA-N	-1	0	250.258	0.779	20	30		CCEDRM
COCCCOCCC(=O)N1CCC(C#N)(C(=O)[O-])CC1	ZINC001599226457	997768049	/nfs/dbraw/zinc/76/80/49/997768049.db2.gz	YIOOVYWHBOXXIW-UHFFFAOYSA-N	-1	0	298.339	0.647	20	30		CCEDRM
COCCN(CCC#N)c1ccnc(C(=O)[O-])n1	ZINC001599235821	997944429	/nfs/dbraw/zinc/94/44/29/997944429.db2.gz	SLCUVBSOUPXGTJ-UHFFFAOYSA-N	-1	0	250.258	0.541	20	30		CCEDRM
COc1cc(C#N)ccc1Cn1cnc(C(=O)[O-])cc1=O	ZINC001599347718	998038271	/nfs/dbraw/zinc/03/82/71/998038271.db2.gz	JMIZZLJUGVBXMZ-UHFFFAOYSA-N	-1	0	285.259	0.870	20	30		CCEDRM
COc1cc(C(=O)N2CC[C@@H]2C(=O)[O-])ccc1C#N	ZINC001599351359	998099539	/nfs/dbraw/zinc/09/95/39/998099539.db2.gz	XQIQPPKJERCHCP-SNVBAGLBSA-N	-1	0	260.249	0.866	20	30		CCEDRM
COCC#CC(=O)Nc1ccc(C(=O)[O-])cc1OC	ZINC001599139727	998106616	/nfs/dbraw/zinc/10/66/16/998106616.db2.gz	XSFGIPYGCDZXSS-UHFFFAOYSA-N	-1	0	263.249	0.982	20	30		CCEDRM
C[C@H]1C(=O)CC[C@@H]1CC(=O)N(CC#N)CC(=O)[O-]	ZINC001594120968	998275550	/nfs/dbraw/zinc/27/55/50/998275550.db2.gz	ACYQXOIXRRFYCX-RKDXNWHRSA-N	-1	0	252.270	0.428	20	30		CCEDRM
COC[C@@H](CNC(=O)N1CCC(C#N)(C(=O)[O-])CC1)OC	ZINC001599163226	998493765	/nfs/dbraw/zinc/49/37/65/998493765.db2.gz	BVVADFFEFSAOAZ-SNVBAGLBSA-N	-1	0	299.327	0.048	20	30		CCEDRM
COCCn1cc(C(=O)N(CC#N)CCC(=O)[O-])c(C)n1	ZINC001599270081	998535170	/nfs/dbraw/zinc/53/51/70/998535170.db2.gz	SRAKXOWMAJXHHO-UHFFFAOYSA-N	-1	0	294.311	0.278	20	30		CCEDRM
COCC(COC)NN=Cc1cccn1CC(=O)[O-]	ZINC001599167354	998561447	/nfs/dbraw/zinc/56/14/47/998561447.db2.gz	WCLRRAOGKOXCMH-UHFFFAOYSA-N	-1	0	269.301	0.158	20	30		CCEDRM
C[C@H]1[C@H](C(=O)[O-])CCN1Cn1cccc(C#N)c1=O	ZINC001594166746	998634542	/nfs/dbraw/zinc/63/45/42/998634542.db2.gz	BHZGNIUNRGQELQ-GXSJLCMTSA-N	-1	0	261.281	0.472	20	30		CCEDRM
CO[C@H](C(=O)N(CC#N)CC(=O)[O-])c1ccc(F)cc1	ZINC001599024702	999008157	/nfs/dbraw/zinc/00/81/57/999008157.db2.gz	RLXLVNUBDLMEOO-LBPRGKRZSA-N	-1	0	280.255	0.950	20	30		CCEDRM
C[C@@H]1CN(C(=O)NC2CC(C(=O)[O-])C2)C[C@H](C)N1CC#N	ZINC001594470502	999701919	/nfs/dbraw/zinc/70/19/19/999701919.db2.gz	KYEFTFUOZXEAFG-ZYANWLCNSA-N	-1	0	294.355	0.477	20	30		CCEDRM
N#Cc1c[nH]nc1[N-]S(=O)(=O)c1ccc(C#N)cc1	ZINC000093338714	349539372	/nfs/dbraw/zinc/53/93/72/349539372.db2.gz	BWXYIQPHBWRXIM-UHFFFAOYSA-N	-1	0	273.277	0.954	20	30		CCEDRM
N#Cc1ccc(N2CCO[C@H](C(=O)[O-])C2)cc1[N+](=O)[O-]	ZINC000094592494	349571368	/nfs/dbraw/zinc/57/13/68/349571368.db2.gz	XGIZMZDRVGJCAT-NSHDSACASA-N	-1	0	277.236	0.756	20	30		CCEDRM
N#Cc1ccc(S(=O)(=O)N2CCC[C@@H]2C(=O)[O-])c(F)c1	ZINC000097230075	349635671	/nfs/dbraw/zinc/63/56/71/349635671.db2.gz	OSFXNFOBXZDSKK-SNVBAGLBSA-N	-1	0	298.295	0.935	20	30		CCEDRM
COC[C@H](NC(=O)c1cccc(CC#N)c1)C(=O)[O-]	ZINC000600870514	362083312	/nfs/dbraw/zinc/08/33/12/362083312.db2.gz	VSQPOFPGOQGKNJ-NSHDSACASA-N	-1	0	262.265	0.582	20	30		CCEDRM
N#Cc1csc(CN=c2[n-]nc(CCO)s2)n1	ZINC000601064130	362141971	/nfs/dbraw/zinc/14/19/71/362141971.db2.gz	MUILGGFAUJFQSE-UHFFFAOYSA-N	-1	0	267.339	0.435	20	30		CCEDRM
CN([C@H]1CCC[C@H]1C#N)S(=O)(=O)c1ncc[n-]1	ZINC000601510678	362296186	/nfs/dbraw/zinc/29/61/86/362296186.db2.gz	ZCJRFTXXMLZUJD-IUCAKERBSA-N	-1	0	254.315	0.722	20	30		CCEDRM
CC(C)C[C@@H](NS(=O)(=O)c1ccc(C#N)nc1)C(=O)[O-]	ZINC000127116697	187283275	/nfs/dbraw/zinc/28/32/75/187283275.db2.gz	JXCUYVRTTKXIKI-LLVKDONJSA-N	-1	0	297.336	0.731	20	30		CCEDRM
Cc1nc(C#N)c(-n2[n-]c3c(c2=O)C(C)(C)OC3)o1	ZINC000601940980	362431478	/nfs/dbraw/zinc/43/14/78/362431478.db2.gz	VRPURUVMKHLZNV-SECBINFHSA-N	-1	0	260.253	0.982	20	30		CCEDRM
C[C@@H]1CCCN(C(=O)Cn2cc(C#N)c(=O)[n-]c2=O)C1	ZINC000602024608	362463197	/nfs/dbraw/zinc/46/31/97/362463197.db2.gz	CMCIKNMVSMFNCB-SECBINFHSA-N	-1	0	276.296	0.079	20	30		CCEDRM
CN(C(=O)Cn1cc(C#N)c(=O)[n-]c1=O)C1CCCC1	ZINC000602059536	362469080	/nfs/dbraw/zinc/46/90/80/362469080.db2.gz	VPNDRMSNGJMKPY-UHFFFAOYSA-N	-1	0	276.296	0.222	20	30		CCEDRM
CC[C@@H](C)N(C)C(=O)Cn1cc(C#N)c(=O)[n-]c1=O	ZINC000602088221	362478420	/nfs/dbraw/zinc/47/84/20/362478420.db2.gz	IJGCSGNVGGYXCV-MRVPVSSYSA-N	-1	0	264.285	0.077	20	30		CCEDRM
CCCN(C(=O)CCn1cc(C#N)c(=O)[n-]c1=O)C1CC1	ZINC000602092817	362481963	/nfs/dbraw/zinc/48/19/63/362481963.db2.gz	IFWDXWVVDODVJY-UHFFFAOYSA-N	-1	0	290.323	0.612	20	30		CCEDRM
CC(C)[C@@H]1CCN1C(=O)Cn1cc(C#N)c(=O)[n-]c1=O	ZINC000602132156	362511897	/nfs/dbraw/zinc/51/18/97/362511897.db2.gz	GZIQGSLXPNMUFH-JTQLQIEISA-N	-1	0	276.296	0.077	20	30		CCEDRM
CN(C(=O)CCCc1nnn[n-]1)[C@@H]1CCC[C@@H]1C#N	ZINC000602195360	362551625	/nfs/dbraw/zinc/55/16/25/362551625.db2.gz	KGWJGUIWNWSCBO-NXEZZACHSA-N	-1	0	262.317	0.673	20	30		CCEDRM
Cc1cc(=NC(=O)N2CCN(CCC#N)CC2)[n-]nc1C	ZINC000602846582	362834666	/nfs/dbraw/zinc/83/46/66/362834666.db2.gz	RZCIDZAROBZXFQ-UHFFFAOYSA-N	-1	0	288.355	0.579	20	30		CCEDRM
Cc1ncc(S(=O)(=O)N(C)[C@H](C)C(=O)[O-])cc1C#N	ZINC000261595172	137011536	/nfs/dbraw/zinc/01/15/36/137011536.db2.gz	NYKJFQPZKJAIPB-MRVPVSSYSA-N	-1	0	283.309	0.355	20	30		CCEDRM
Cc1ncc(S(=O)(=O)N(C)CCC(=O)[O-])cc1C#N	ZINC000261612359	137012495	/nfs/dbraw/zinc/01/24/95/137012495.db2.gz	SOVXDVGNXWSERF-UHFFFAOYSA-N	-1	0	283.309	0.357	20	30		CCEDRM
Cn1cc(C#N)c(=NC(=O)N2CC[C@](C)(C#N)C2)[n-]1	ZINC000602884215	362862774	/nfs/dbraw/zinc/86/27/74/362862774.db2.gz	ALSQBGYKAGYPON-GFCCVEGCSA-N	-1	0	258.285	0.481	20	30		CCEDRM
Cn1cc(C#N)c(=NC(=O)NCC2CSC2)[n-]1	ZINC000602889711	362867155	/nfs/dbraw/zinc/86/71/55/362867155.db2.gz	ZTGVAVMZWXPMDF-UHFFFAOYSA-N	-1	0	251.315	0.198	20	30		CCEDRM
CC[C@H]1[C@H](CO)CCN1C(=O)N=c1[n-]n(C)cc1C#N	ZINC000602880236	362860504	/nfs/dbraw/zinc/86/05/04/362860504.db2.gz	JSHROVSOKFMRPH-ONGXEEELSA-N	-1	0	277.328	0.338	20	30		CCEDRM
CCO[C@@H]1CCN(C(=O)N=c2[n-]n(C)cc2C#N)C[C@@H]1C	ZINC000602879973	362860551	/nfs/dbraw/zinc/86/05/51/362860551.db2.gz	IGPRBUWGKVBYET-CMPLNLGQSA-N	-1	0	291.355	0.992	20	30		CCEDRM
Cc1nn(C)c2ncc(C(=O)[N-]S(C)(=O)=O)cc12	ZINC000042280048	348272940	/nfs/dbraw/zinc/27/29/40/348272940.db2.gz	XFCUSOMGQYHWJW-UHFFFAOYSA-N	-1	0	268.298	0.541	20	30		CCEDRM
Cn1cc(C#N)c(=NC(=O)c2cnc3cnccc3c2)[n-]1	ZINC000346210504	137273396	/nfs/dbraw/zinc/27/33/96/137273396.db2.gz	QNMKZFAGNDWSQH-UHFFFAOYSA-N	-1	0	278.275	0.909	20	30		CCEDRM
COC(=O)N[N-]S(=O)(=O)c1ccc(C)c(F)c1	ZINC000048652893	348421112	/nfs/dbraw/zinc/42/11/12/348421112.db2.gz	AVRHQELEIFTUIE-UHFFFAOYSA-N	-1	0	262.262	0.888	20	30		CCEDRM
N#Cc1nc(NC(=O)C[C@H]2CCCC(=O)N2)[n-]c1C#N	ZINC000347915033	137364011	/nfs/dbraw/zinc/36/40/11/137364011.db2.gz	SIJPICUZTRKIMA-SSDOTTSWSA-N	-1	0	272.268	0.150	20	30		CCEDRM
C[C@@H](CNS(=O)(=O)Cc1cccc(C#N)c1)C(=O)[O-]	ZINC000054333874	348550938	/nfs/dbraw/zinc/55/09/38/348550938.db2.gz	HYIMOLDNQPLEBC-VIFPVBQESA-N	-1	0	282.321	0.698	20	30		CCEDRM
C=CCC1(NC(=O)c2cnc([O-])n(C)c2=O)CCOCC1	ZINC000618248550	365958526	/nfs/dbraw/zinc/95/85/26/365958526.db2.gz	LOCVWKMIKZTCMA-UHFFFAOYSA-N	-1	0	293.323	0.341	20	30		CCEDRM
C[C@H](CC(=O)[O-])NS(=O)(=O)c1ccc(C#N)nc1	ZINC000127102253	350161336	/nfs/dbraw/zinc/16/13/36/350161336.db2.gz	RBIVAZSXANDNPW-SSDOTTSWSA-N	-1	0	269.282	0.095	20	30		CCEDRM
CCC[C@@H](NS(=O)(=O)c1ccc(C#N)nc1)C(=O)[O-]	ZINC000132366543	350305273	/nfs/dbraw/zinc/30/52/73/350305273.db2.gz	JAHPXGXSSBAUKT-SNVBAGLBSA-N	-1	0	283.309	0.485	20	30		CCEDRM
Cn1cc(C#N)c([N-]S(=O)(=O)N2CCCC2)n1	ZINC000134978923	350380952	/nfs/dbraw/zinc/38/09/52/350380952.db2.gz	PGYKQYSCUYIYOV-UHFFFAOYSA-N	-1	0	255.303	0.044	20	30		CCEDRM
N#Cc1ccc(C(=O)Nc2n[nH]c(SCCO)n2)[nH]1	ZINC000155399307	350617474	/nfs/dbraw/zinc/61/74/74/350617474.db2.gz	JQWQPSQLSIZYFV-UHFFFAOYSA-N	-1	0	278.297	0.341	20	30		CCEDRM
C[NH+](C)CCNS(=O)(=O)c1cccc([N+](=O)[O-])c1C#N	ZINC000156016284	350625189	/nfs/dbraw/zinc/62/51/89/350625189.db2.gz	KRKHTZDCXIPELJ-UHFFFAOYSA-N	-1	0	298.324	0.306	20	30		CCEDRM
COCCS(=O)(=O)[N-]c1nn(C(C)(C)C)cc1C#N	ZINC000123230368	187078948	/nfs/dbraw/zinc/07/89/48/187078948.db2.gz	CCCOWWPMIBFCIK-UHFFFAOYSA-N	-1	0	286.357	0.898	20	30		CCEDRM
Cn1cc(C#N)c([N-]S(=O)(=O)N2CCCCC2)n1	ZINC000123381691	187088168	/nfs/dbraw/zinc/08/81/68/187088168.db2.gz	FZGJNMJASPGYBS-UHFFFAOYSA-N	-1	0	269.330	0.434	20	30		CCEDRM
Cc1cc(C#N)ccc1S(=O)(=O)N(C)[C@H](C)C(=O)[O-]	ZINC000230275846	352110391	/nfs/dbraw/zinc/11/03/91/352110391.db2.gz	BBVRXLADGSNQNF-SECBINFHSA-N	-1	0	282.321	0.960	20	30		CCEDRM
N#Cc1ncccc1S(=O)(=O)NCCCCC(=O)[O-]	ZINC000236418108	352195043	/nfs/dbraw/zinc/19/50/43/352195043.db2.gz	VRQFYZXZEWXHTO-UHFFFAOYSA-N	-1	0	283.309	0.486	20	30		CCEDRM
Cc1nnc(N2CCC[C@H](c3nc(=O)[n-][nH]3)C2)c(C#N)c1C	ZINC000285503356	353559769	/nfs/dbraw/zinc/55/97/69/353559769.db2.gz	FJTIELCMPPFSMO-JTQLQIEISA-N	-1	0	299.338	0.761	20	30		CCEDRM
C[C@H]1CN(S(=O)(=O)c2ccc(C#N)o2)CC[C@H]1C(=O)[O-]	ZINC000287426221	353646418	/nfs/dbraw/zinc/64/64/18/353646418.db2.gz	GLFGCDFCKQUPEW-WCBMZHEXSA-N	-1	0	298.320	0.883	20	30		CCEDRM
N#Cc1ccc(S(=O)(=O)[N-]C[C@@H](O)C(F)(F)F)o1	ZINC000287659606	353660219	/nfs/dbraw/zinc/66/02/19/353660219.db2.gz	CPYPNHWQCWHMPH-ZCFIWIBFSA-N	-1	0	284.215	0.353	20	30		CCEDRM
C[C@]1(NS(=O)(=O)c2ccc(C#N)o2)CCOC1	ZINC000287672585	353660733	/nfs/dbraw/zinc/66/07/33/353660733.db2.gz	DHWJNBWEWPUCIK-JTQLQIEISA-N	-1	0	256.283	0.609	20	30		CCEDRM
C[C@H]1CN(C(=O)N=c2[n-]n(C)cc2C#N)C[C@H](C2CC2)O1	ZINC000619320233	366235590	/nfs/dbraw/zinc/23/55/90/366235590.db2.gz	VDYJNPLXLQKXSJ-JOYOIKCWSA-N	-1	0	289.339	0.745	20	30		CCEDRM
C[C@H](NS(=O)(=O)c1ccc(Cl)c(C#N)c1)C(=O)[O-]	ZINC000340230029	355534291	/nfs/dbraw/zinc/53/42/91/355534291.db2.gz	ZUFZJAIIYDTDDD-LURJTMIESA-N	-1	0	288.712	0.963	20	30		CCEDRM
CCn1cnc(S(=O)(=O)[N-]c2cc(C#N)ccn2)c1	ZINC000352858575	356097137	/nfs/dbraw/zinc/09/71/37/356097137.db2.gz	NCPNQUOPUYELIA-UHFFFAOYSA-N	-1	0	277.309	0.970	20	30		CCEDRM
N#Cc1cnn2c1[nH]c(CSc1n[nH]c(=O)[n-]1)cc2=O	ZINC000361996244	138041675	/nfs/dbraw/zinc/04/16/75/138041675.db2.gz	NAQPFHICJYSINK-UHFFFAOYSA-N	-1	0	289.280	0.423	20	30		CCEDRM
COc1cc(C#N)ccc1S(=O)(=O)N(C)CCC(=O)[O-]	ZINC000362247832	138051999	/nfs/dbraw/zinc/05/19/99/138051999.db2.gz	CZHNHKZPSKWAQZ-UHFFFAOYSA-N	-1	0	298.320	0.662	20	30		CCEDRM
N#CCn1c(C(=O)Nc2nnn[n-]2)cc2ccccc21	ZINC000609201199	363478174	/nfs/dbraw/zinc/47/81/74/363478174.db2.gz	RPQNLBCDOPBALY-UHFFFAOYSA-N	-1	0	267.252	0.930	20	30		CCEDRM
CCN(CCC#N)C(=O)N=c1ccc(C(=O)OC)n[n-]1	ZINC000619637957	366308829	/nfs/dbraw/zinc/30/88/29/366308829.db2.gz	TWSWJAURRXSEDH-UHFFFAOYSA-N	-1	0	277.284	0.453	20	30		CCEDRM
C[C@H](CS(C)(=O)=O)C(=O)N=c1[nH][n-]c(C2CC2)c1C#N	ZINC000359713948	356876632	/nfs/dbraw/zinc/87/66/32/356876632.db2.gz	FPKZYYAHFYPVQA-SSDOTTSWSA-N	-1	0	296.352	0.200	20	30		CCEDRM
CC[C@@]1(C(=O)[O-])CCCN1S(=O)(=O)CCCC#N	ZINC000365287999	357141074	/nfs/dbraw/zinc/14/10/74/357141074.db2.gz	HYZVAOGPWBBBLA-NSHDSACASA-N	-1	0	274.342	0.949	20	30		CCEDRM
C[C@@H]1CN(C(=O)N=c2[n-]n(C)cc2C#N)C[C@H](C)O1	ZINC000610528243	363574239	/nfs/dbraw/zinc/57/42/39/363574239.db2.gz	YJPXJBGOZPOKHR-DTORHVGOSA-N	-1	0	263.301	0.355	20	30		CCEDRM
Cn1cc(C#N)c(=NC(=O)N[C@@H]2[C@H]3CCO[C@@H]3C2(C)C)[n-]1	ZINC000610562234	363576060	/nfs/dbraw/zinc/57/60/60/363576060.db2.gz	LKGYSCGDDGEDKL-MXWKQRLJSA-N	-1	0	289.339	0.649	20	30		CCEDRM
Cc1noc([C@H](C)NC(=O)N=c2[n-]n(C)cc2C#N)n1	ZINC000610561063	363576335	/nfs/dbraw/zinc/57/63/35/363576335.db2.gz	CXTADSJUBZAPRE-LURJTMIESA-N	-1	0	275.272	0.288	20	30		CCEDRM
Cn1cc(C#N)c(=NC(=O)NCC2(CCO)CCCC2)[n-]1	ZINC000610561000	363576369	/nfs/dbraw/zinc/57/63/69/363576369.db2.gz	CDSOYEBNPVBDQK-UHFFFAOYSA-N	-1	0	291.355	0.778	20	30		CCEDRM
C[C@@H](O)C[C@H](C)CNC(=O)N=c1[n-]n(C)cc1C#N	ZINC000610562325	363576958	/nfs/dbraw/zinc/57/69/58/363576958.db2.gz	OTMZISGIYHRRLH-DTWKUNHWSA-N	-1	0	265.317	0.242	20	30		CCEDRM
Cn1cc(C#N)c(=NC(=O)N(C[C@H]2CCOC2)C2CC2)[n-]1	ZINC000610565033	363578832	/nfs/dbraw/zinc/57/88/32/363578832.db2.gz	YOTXKPDBNWGCTB-SNVBAGLBSA-N	-1	0	289.339	0.746	20	30		CCEDRM
N#Cc1c[n-][nH]c1=NC(=O)[C@@H]1CC(=O)N(Cc2ccco2)C1	ZINC000610620407	363587370	/nfs/dbraw/zinc/58/73/70/363587370.db2.gz	BUWNYVSKRYZWRA-SECBINFHSA-N	-1	0	299.290	0.283	20	30		CCEDRM
C[C@@H](CC#N)N(C)S(=O)(=O)N[C@H](C(=O)[O-])C1CCC1	ZINC000563224480	358557245	/nfs/dbraw/zinc/55/72/45/358557245.db2.gz	AUKHYRIXNFMHLH-WPRPVWTQSA-N	-1	0	289.357	0.308	20	30		CCEDRM
N#Cc1c2c(cnc1NCc1n[n-]c(=N)o1)CCC2	ZINC000570391976	358852234	/nfs/dbraw/zinc/85/22/34/358852234.db2.gz	WAPNWEXVTUNVIL-UHFFFAOYSA-N	-1	0	256.269	0.850	20	30		CCEDRM
C=CCN(CC=C)S(=O)(=O)N1CCC[C@@H]1C(=O)[O-]	ZINC000573603993	358982767	/nfs/dbraw/zinc/98/27/67/358982767.db2.gz	FDHFJSCJNVOWRJ-SNVBAGLBSA-N	-1	0	274.342	0.454	20	30		CCEDRM
N#Cc1cccc(F)c1CC(=O)N=c1cc(C(N)=O)[n-][nH]1	ZINC000586799087	359292827	/nfs/dbraw/zinc/29/28/27/359292827.db2.gz	ZETBULLJNHDXME-UHFFFAOYSA-N	-1	0	287.254	0.122	20	30		CCEDRM
C=CCOCCNS(=O)(=O)c1ccc(C#N)o1	ZINC000588124179	359314124	/nfs/dbraw/zinc/31/41/24/359314124.db2.gz	YKRULSMCZPCJBE-UHFFFAOYSA-N	-1	0	256.283	0.632	20	30		CCEDRM
N#Cc1ccc(S(=O)(=O)N[C@@H](C(=O)[O-])C2CC2)cc1F	ZINC000589973560	359413393	/nfs/dbraw/zinc/41/33/93/359413393.db2.gz	BATGBIYDOKGKOR-LLVKDONJSA-N	-1	0	298.295	0.839	20	30		CCEDRM
CN(C(=O)N=c1[n-]n(C)cc1C#N)[C@@H]1CCSC1	ZINC000611127467	363662023	/nfs/dbraw/zinc/66/20/23/363662023.db2.gz	MVACWKDJPVBJCX-SECBINFHSA-N	-1	0	265.342	0.683	20	30		CCEDRM
C=CCOC[C@@H](NC(=O)NCCSC)C(=O)[O-]	ZINC000590899835	359536598	/nfs/dbraw/zinc/53/65/98/359536598.db2.gz	VAZBCQVLYNTIHB-MRVPVSSYSA-N	-1	0	262.331	0.304	20	30		CCEDRM
N#CC1CN(C(=O)N=c2nc3cc(Cl)ccn3[n-]2)C1	ZINC000590835900	359529165	/nfs/dbraw/zinc/52/91/65/359529165.db2.gz	QIBNORJFHPMSAW-UHFFFAOYSA-N	-1	0	276.687	0.792	20	30		CCEDRM
CO[C@H](CNC(=O)N=c1[n-]n(C)cc1C#N)CC(C)C	ZINC000591338123	359579339	/nfs/dbraw/zinc/57/93/39/359579339.db2.gz	JTMWHWRZGMSZHT-NSHDSACASA-N	-1	0	279.344	0.896	20	30		CCEDRM
N#Cc1ccc(S(=O)(=O)N[C@H]2C[C@H](C(=O)[O-])C2)o1	ZINC000591741080	359650826	/nfs/dbraw/zinc/65/08/26/359650826.db2.gz	VCWSBVVKTZEVIN-LJGSYFOKSA-N	-1	0	270.266	0.293	20	30		CCEDRM
COc1cccc(S([O-])=CC(=O)N2CC(C#N)C2)c1	ZINC000591781675	359657395	/nfs/dbraw/zinc/65/73/95/359657395.db2.gz	GIXWSUSXUYGAGT-LJQANCHMSA-N	-1	0	278.333	0.785	20	30		CCEDRM
CO[C@@H](Cc1ccccc1)Cn1c(=O)[n-]cc(C#N)c1=O	ZINC000592354400	359823145	/nfs/dbraw/zinc/82/31/45/359823145.db2.gz	NRBPHSLSBXTOHW-ZDUSSCGKSA-N	-1	0	285.303	0.666	20	30		CCEDRM
CC[C@H]1CC[C@@H](C(=O)[O-])N1S(=O)(=O)CCCC#N	ZINC000592447468	359843134	/nfs/dbraw/zinc/84/31/34/359843134.db2.gz	HRHWWVDEPVAAOS-UWVGGRQHSA-N	-1	0	274.342	0.948	20	30		CCEDRM
Cc1[n-][nH]c(=NC(=O)[C@@H]2CCn3ccnc3C2)c1C#N	ZINC000329530818	202371714	/nfs/dbraw/zinc/37/17/14/202371714.db2.gz	VXRUJHOXSZFSKC-SECBINFHSA-N	-1	0	270.296	0.409	20	30		CCEDRM
Cc1c(C#N)c(=NC(=O)c2cc(C3CC3)n(C)n2)[n-]n1C	ZINC000592646794	359908136	/nfs/dbraw/zinc/90/81/36/359908136.db2.gz	RCMWSIIIHLYIJU-UHFFFAOYSA-N	-1	0	284.323	0.885	20	30		CCEDRM
Cc1cc(=NC(=O)c2n[nH]c(C)c2[O-])[nH]n1CCC#N	ZINC000611247673	363697027	/nfs/dbraw/zinc/69/70/27/363697027.db2.gz	GKBLWGMPJUZVMQ-UHFFFAOYSA-N	-1	0	274.284	0.517	20	30		CCEDRM
Cn1cc(C#N)c(=NC(=O)NCC(C)(C)CCCO)[n-]1	ZINC000611322917	363707054	/nfs/dbraw/zinc/70/70/54/363707054.db2.gz	NCELXPNOGZYUTG-UHFFFAOYSA-N	-1	0	279.344	0.634	20	30		CCEDRM
C[C@@H](C#N)CN(C)S(=O)(=O)N1CCC[C@@H]1CC(=O)[O-]	ZINC000593269902	360058605	/nfs/dbraw/zinc/05/86/05/360058605.db2.gz	SYHZXZJATPMTNX-VHSXEESVSA-N	-1	0	289.357	0.262	20	30		CCEDRM
C[C@H](C(=O)[O-])C1(NS(=O)(=O)CC2(C#N)CC2)CC1	ZINC000593272842	360059780	/nfs/dbraw/zinc/05/97/80/360059780.db2.gz	CPUNKMIBQBOVRY-MRVPVSSYSA-N	-1	0	272.326	0.463	20	30		CCEDRM
CC#CC[C@H](NS(=O)(=O)c1c(C)nn(C)c1C)C(=O)[O-]	ZINC000275036150	192886421	/nfs/dbraw/zinc/88/64/21/192886421.db2.gz	QPQUQMQHMOSFRQ-JTQLQIEISA-N	-1	0	299.352	0.182	20	30		CCEDRM
C[C@@H](CNC(=O)N=c1ccn(CCC#N)[nH]1)C(=O)[O-]	ZINC000593955876	360222785	/nfs/dbraw/zinc/22/27/85/360222785.db2.gz	DTTONWZIHWISNI-QMMMGPOBSA-N	-1	0	265.273	0.061	20	30		CCEDRM
N#CC1(CS(=O)(=O)N[C@H](CCF)C(=O)[O-])CC1	ZINC000594573975	360333075	/nfs/dbraw/zinc/33/30/75/360333075.db2.gz	RUOXTBWVRAOXDQ-SSDOTTSWSA-N	-1	0	264.278	0.022	20	30		CCEDRM
C[C@H](CNC(=O)C(=O)Nc1cccc(CC#N)c1)C(=O)[O-]	ZINC000594527883	360326310	/nfs/dbraw/zinc/32/63/10/360326310.db2.gz	PDLJJEMZWVHUGN-SECBINFHSA-N	-1	0	289.291	0.528	20	30		CCEDRM
Cc1ccc(C#N)cc1NC(=O)C(=O)NC[C@H](C)C(=O)[O-]	ZINC000594528524	360326654	/nfs/dbraw/zinc/32/66/54/360326654.db2.gz	UKUANUDBHBNAHE-VIFPVBQESA-N	-1	0	289.291	0.642	20	30		CCEDRM
CC(C)[C@@H](CNC(=O)C(=O)N[C@@H]1CC[C@H](C#N)C1)C(=O)[O-]	ZINC000594534321	360326866	/nfs/dbraw/zinc/32/68/66/360326866.db2.gz	DLIBSBWWEBPHFH-HBNTYKKESA-N	-1	0	295.339	0.268	20	30		CCEDRM
N#CCN1CCN(S(=O)(=O)c2ccccc2[O-])CC1	ZINC000594751999	360376081	/nfs/dbraw/zinc/37/60/81/360376081.db2.gz	FOBDIBYIQOYRQX-UHFFFAOYSA-N	-1	0	281.337	0.222	20	30		CCEDRM
N#CC1(CS(=O)(=O)N2CC3(CCCC3)[C@H]2C(=O)[O-])CC1	ZINC000594674860	360358488	/nfs/dbraw/zinc/35/84/88/360358488.db2.gz	NYCFBDGNRFUCOR-SNVBAGLBSA-N	-1	0	298.364	0.949	20	30		CCEDRM
C[C@H](NC(=O)NCCc1ccc(C#N)cc1)C(=O)[O-]	ZINC000594684075	360359702	/nfs/dbraw/zinc/35/97/02/360359702.db2.gz	DFRHWZXFXXSLAC-VIFPVBQESA-N	-1	0	261.281	0.873	20	30		CCEDRM
C[C@@H](NC(=O)N=c1[n-]n(C)cc1C#N)[C@@H]1CCCOC1	ZINC000611557545	363738318	/nfs/dbraw/zinc/73/83/18/363738318.db2.gz	XAVIVPYIKMWUER-NXEZZACHSA-N	-1	0	277.328	0.650	20	30		CCEDRM
C=CCCn1cc(CN2CCC[C@]2(COC)C(=O)[O-])nn1	ZINC000655925692	412702713	/nfs/dbraw/zinc/70/27/13/412702713.db2.gz	AFGCEYOZASSTGI-AWEZNQCLSA-N	-1	0	294.355	0.920	20	30		CCEDRM
N#Cc1nc(N2CCO[C@H](C(=O)[O-])C2)sc1Cl	ZINC000595966104	360741901	/nfs/dbraw/zinc/74/19/01/360741901.db2.gz	MGVZFXDYXWVXQI-LURJTMIESA-N	-1	0	273.701	0.958	20	30		CCEDRM
C[C@](O)(CNc1nc(C#N)c(Cl)s1)C(=O)[O-]	ZINC000595967719	360742537	/nfs/dbraw/zinc/74/25/37/360742537.db2.gz	CLJGNDKHFAITKP-QMMMGPOBSA-N	-1	0	261.690	0.338	20	30		CCEDRM
N#CC1(C(=O)N2C[C@@H]3COC[C@]3(C(=O)[O-])C2)CCCC1	ZINC000596000063	360772124	/nfs/dbraw/zinc/77/21/24/360772124.db2.gz	KGJXDTSMBIGOHU-QMTHXVAHSA-N	-1	0	278.308	0.630	20	30		CCEDRM
Cc1ccc(N2C[C@@H]3COC[C@]3(C(=O)[O-])C2)nc1C#N	ZINC000595974015	360748185	/nfs/dbraw/zinc/74/81/85/360748185.db2.gz	TUKCOEBELHLDAQ-QMTHXVAHSA-N	-1	0	273.292	0.799	20	30		CCEDRM
Cc1ccnc(N[C@@H]2C[C@@H](C(=O)[O-])C[C@H]2O)c1C#N	ZINC000595978771	360754790	/nfs/dbraw/zinc/75/47/90/360754790.db2.gz	OMVXZVZMNWGDDS-FBIMIBRVSA-N	-1	0	261.281	0.898	20	30		CCEDRM
Cc1cc(=NC(=O)NCC2(C(=O)[O-])CC2)[nH]n1CCC#N	ZINC000596063704	360785189	/nfs/dbraw/zinc/78/51/89/360785189.db2.gz	QURVJDUXQVCWLQ-UHFFFAOYSA-N	-1	0	291.311	0.513	20	30		CCEDRM
N#CC1(CS(=O)(=O)NC[C@@H](C(=O)[O-])C2CCC2)CC1	ZINC000596025831	360778491	/nfs/dbraw/zinc/77/84/91/360778491.db2.gz	BLGIHGJGVMKHKS-SNVBAGLBSA-N	-1	0	286.353	0.710	20	30		CCEDRM
C=CCN1CC[C@@H](N(CC(=O)[O-])C2CCC2)C1=O	ZINC000655933512	412707769	/nfs/dbraw/zinc/70/77/69/412707769.db2.gz	MZZQSAWGQMPQHD-LLVKDONJSA-N	-1	0	252.314	0.712	20	30		CCEDRM
N#CCCCNC(=O)C(=O)NC[C@@H](C(=O)[O-])C1CCC1	ZINC000596130014	360806069	/nfs/dbraw/zinc/80/60/69/360806069.db2.gz	LUASUYWLGIQDHL-SNVBAGLBSA-N	-1	0	281.312	0.023	20	30		CCEDRM
COc1n[n-]c(=NC(=O)N2CC(CC#N)C2)s1	ZINC000596860992	360968236	/nfs/dbraw/zinc/96/82/36/360968236.db2.gz	ASQJBVUZACJAFP-UHFFFAOYSA-N	-1	0	253.287	0.346	20	30		CCEDRM
C[C@@H](CC#N)C(=O)Nc1nnc([N-]S(C)(=O)=O)s1	ZINC000596886163	360973520	/nfs/dbraw/zinc/97/35/20/360973520.db2.gz	CLTKUCFNXUDMCJ-YFKPBYRVSA-N	-1	0	289.342	0.398	20	30		CCEDRM
Cc1noc(C)c1S(=O)(=O)[N-]c1n[nH]c(C)c1C#N	ZINC000180707855	189271520	/nfs/dbraw/zinc/27/15/20/189271520.db2.gz	BLWZINNOSNXWRV-UHFFFAOYSA-N	-1	0	281.297	0.995	20	30		CCEDRM
Cn1cc(C#N)c(=NC(=O)N[C@]2(C)CCO[C@H]2C2CC2)[n-]1	ZINC000612313734	363883237	/nfs/dbraw/zinc/88/32/37/363883237.db2.gz	XVUUOAQBBSWDNH-SMDDNHRTSA-N	-1	0	289.339	0.793	20	30		CCEDRM
Cn1cc(C#N)c(=NC(=O)N[C@@H]2CCO[C@@H](C3CC3)C2)[n-]1	ZINC000613205038	364157379	/nfs/dbraw/zinc/15/73/79/364157379.db2.gz	LPFDTMKFHOMXAW-VXGBXAGGSA-N	-1	0	289.339	0.793	20	30		CCEDRM
C/C=C/C[C@H](CO)NC(=O)N=c1[n-]n(C)cc1C#N	ZINC000613772726	364366695	/nfs/dbraw/zinc/36/66/95/364366695.db2.gz	HVESFCPDLHXPIO-HMDXOVGESA-N	-1	0	263.301	0.162	20	30		CCEDRM
Cn1cc(C#N)c(=NC(=O)N[C@@H](CO)c2ccsc2)[n-]1	ZINC000613772632	364367191	/nfs/dbraw/zinc/36/71/91/364367191.db2.gz	FKMOVCYASLLVTI-JTQLQIEISA-N	-1	0	291.336	0.630	20	30		CCEDRM
CCOC[C@H](NC(=O)N=c1[n-]n(C)cc1C#N)C(C)C	ZINC000616096210	365176378	/nfs/dbraw/zinc/17/63/78/365176378.db2.gz	PQFORSCIRGIQOL-NSHDSACASA-N	-1	0	279.344	0.896	20	30		CCEDRM
C=CCCCNC(=O)C(=O)N1CC[C@H](C(=O)[O-])[C@H](C)C1	ZINC000627273296	368940761	/nfs/dbraw/zinc/94/07/61/368940761.db2.gz	CEEGLKQBCZKTRO-MNOVXSKESA-N	-1	0	282.340	0.638	20	30		CCEDRM
C=C(CC)CNC(=O)C(=O)N1CC[C@@H](C(=O)[O-])[C@@H](C)C1	ZINC000627276866	368941505	/nfs/dbraw/zinc/94/15/05/368941505.db2.gz	QUPIKXJGVGUYRJ-WDEREUQCSA-N	-1	0	282.340	0.638	20	30		CCEDRM
C=C(C)C[C@@H](NC(=O)CCn1cncn1)C(=O)[O-]	ZINC000630318877	370045744	/nfs/dbraw/zinc/04/57/44/370045744.db2.gz	NTSUGLDUWDVAGR-SECBINFHSA-N	-1	0	252.274	0.204	20	30		CCEDRM
C=CCC1(NC(=O)Cn2cc(C(=O)[O-])cn2)CCOCC1	ZINC000630208204	370008932	/nfs/dbraw/zinc/00/89/32/370008932.db2.gz	RDRMLBQIZFJTAP-UHFFFAOYSA-N	-1	0	293.323	0.823	20	30		CCEDRM
C=CCCn1cc(C(=O)N2CC[C@@](OC)(C(=O)[O-])C2)nn1	ZINC000630256897	370027469	/nfs/dbraw/zinc/02/74/69/370027469.db2.gz	ZHZARNTUMUOPNA-ZDUSSCGKSA-N	-1	0	294.311	0.170	20	30		CCEDRM
C=C(C)[C@H]1OCC[C@H]1CNC(=O)Cn1cc(C(=O)[O-])cn1	ZINC000630303392	370037884	/nfs/dbraw/zinc/03/78/84/370037884.db2.gz	WKSLXGNMYMLMNR-GXFFZTMASA-N	-1	0	293.323	0.679	20	30		CCEDRM
C=C(C)C[C@H](NC(=O)c1cn(C)nc1C)C(=O)[O-]	ZINC000630325703	370048143	/nfs/dbraw/zinc/04/81/43/370048143.db2.gz	KHTLSMXTJXQSSF-JTQLQIEISA-N	-1	0	251.286	0.878	20	30		CCEDRM
C=C(C)CS(=O)(=O)NC[C@]1(C(=O)[O-])CCCOC1	ZINC000630431730	370113331	/nfs/dbraw/zinc/11/33/31/370113331.db2.gz	ICTJVCAKGSCQHE-LLVKDONJSA-N	-1	0	277.342	0.363	20	30		CCEDRM
C=C(C)C[C@@H](NS(=O)(=O)N(C)CCCC)C(=O)[O-]	ZINC000630438780	370117047	/nfs/dbraw/zinc/11/70/47/370117047.db2.gz	ZNOHDMSWDJODMF-SNVBAGLBSA-N	-1	0	278.374	0.972	20	30		CCEDRM
C=C(C)C[C@H](NS(=O)(=O)N(C)CCCC)C(=O)[O-]	ZINC000630438779	370117224	/nfs/dbraw/zinc/11/72/24/370117224.db2.gz	ZNOHDMSWDJODMF-JTQLQIEISA-N	-1	0	278.374	0.972	20	30		CCEDRM
C=C(C)C[C@H](NS(=O)(=O)C[C@@H]1CCCCO1)C(=O)[O-]	ZINC000630438760	370117359	/nfs/dbraw/zinc/11/73/59/370117359.db2.gz	YQXURLLZHFESEA-QWRGUYRKSA-N	-1	0	291.369	0.894	20	30		CCEDRM
C=C(C)C[C@@H](NS(=O)(=O)N1CCC[C@H]1C)C(=O)[O-]	ZINC000630438361	370117388	/nfs/dbraw/zinc/11/73/88/370117388.db2.gz	OYGJFJIZUDYIKL-NXEZZACHSA-N	-1	0	276.358	0.725	20	30		CCEDRM
Cc1cc(S(=O)(=O)N2CC[C@H](C(=O)[O-])C2)ccc1C#N	ZINC000235838348	189831353	/nfs/dbraw/zinc/83/13/53/189831353.db2.gz	GSMHZPJMXASZJZ-NSHDSACASA-N	-1	0	294.332	0.962	20	30		CCEDRM
C=CCN(C(=O)C[C@]1(C(=O)[O-])CCOC1)[C@H](C)COC	ZINC000634929708	372299709	/nfs/dbraw/zinc/29/97/09/372299709.db2.gz	QQQWEABMUQOWFQ-BXUZGUMPSA-N	-1	0	285.340	0.917	20	30		CCEDRM
C=CCOC[C@@H](NC(=O)c1cc(CC)nn1C)C(=O)[O-]	ZINC000634804951	372244135	/nfs/dbraw/zinc/24/41/35/372244135.db2.gz	YSHMVPCJEFCXFO-SNVBAGLBSA-N	-1	0	281.312	0.368	20	30		CCEDRM
C=CCCOCC(=O)N1CCC(c2n[n-]c(=N)o2)CC1	ZINC000636128633	373388230	/nfs/dbraw/zinc/38/82/30/373388230.db2.gz	CWUWXBJRKWGSPT-UHFFFAOYSA-N	-1	0	280.328	0.781	20	30		CCEDRM
C=CCOCCCNC(=O)[C@H]1CC[C@H](C(=O)[O-])O1	ZINC000656486337	412812333	/nfs/dbraw/zinc/81/23/33/412812333.db2.gz	NDBNPJRRQZXODI-NXEZZACHSA-N	-1	0	257.286	0.328	20	30		CCEDRM
CCCc1n[n-]c(=NC(=O)NCC#CCO)s1	ZINC000639467056	375792222	/nfs/dbraw/zinc/79/22/22/375792222.db2.gz	RZQVGPAPCPDQIF-UHFFFAOYSA-N	-1	0	254.315	0.030	20	30		CCEDRM
Cc1cccc(S(=O)(=O)N[C@@H](C)C(=O)[O-])c1C#N	ZINC000261737561	190043416	/nfs/dbraw/zinc/04/34/16/190043416.db2.gz	UHMXFTDXRJBPHY-QMMMGPOBSA-N	-1	0	268.294	0.618	20	30		CCEDRM
C=C1CC(C)(C(=O)NCCCc2n[nH]c(=O)[n-]2)C1	ZINC000639889406	376114568	/nfs/dbraw/zinc/11/45/68/376114568.db2.gz	CWMWUXXRKLDBHM-UHFFFAOYSA-N	-1	0	250.302	0.915	20	30		CCEDRM
Cc1nc(C(=O)N2C[C@@H](C)O[C@H](C(=O)[O-])C2)ccc1C#N	ZINC000262210990	190050736	/nfs/dbraw/zinc/05/07/36/190050736.db2.gz	XCBMDTZMBNAYSU-PELKAZGASA-N	-1	0	289.291	0.576	20	30		CCEDRM
C=CC1CCN(C(=O)N=c2ccc(C(=O)NC)n[n-]2)CC1	ZINC000640324735	376318711	/nfs/dbraw/zinc/31/87/11/376318711.db2.gz	OMMBQQQQKLLUSN-UHFFFAOYSA-N	-1	0	289.339	0.688	20	30		CCEDRM
C=CCCO[C@H](C)C(=O)N1CCO[C@@H](CC(=O)[O-])C1	ZINC000262804209	190062969	/nfs/dbraw/zinc/06/29/69/190062969.db2.gz	PNGRQCQVUVGBMC-MNOVXSKESA-N	-1	0	271.313	0.670	20	30		CCEDRM
C=CCOCCCC(=O)NCC1(C(=O)[O-])CCOCC1	ZINC000262927249	190064827	/nfs/dbraw/zinc/06/48/27/190064827.db2.gz	JKJNTFGKUOXXLG-UHFFFAOYSA-N	-1	0	285.340	0.967	20	30		CCEDRM
COc1cc(C#N)ccc1OCC(=O)N[C@H](C)CC(=O)[O-]	ZINC000263054598	190066302	/nfs/dbraw/zinc/06/63/02/190066302.db2.gz	XFNOERLWRLSZPW-SECBINFHSA-N	-1	0	292.291	0.925	20	30		CCEDRM
C=C[C@H](CO)NC(=O)N=c1[n-]nc([C@@H]2CCCO2)s1	ZINC000640737315	376516154	/nfs/dbraw/zinc/51/61/54/376516154.db2.gz	JJAZMZYXUYPCJL-SFYZADRCSA-N	-1	0	284.341	0.480	20	30		CCEDRM
CCCN(C)S(=O)(=O)[N-]c1nn(C)cc1C#N	ZINC000268888872	190447739	/nfs/dbraw/zinc/44/77/39/190447739.db2.gz	UEGMBOREHYBOHC-UHFFFAOYSA-N	-1	0	257.319	0.290	20	30		CCEDRM
C[C@H](Oc1ccccc1C#N)C(=O)NCCOCC(=O)[O-]	ZINC000093227792	184657101	/nfs/dbraw/zinc/65/71/01/184657101.db2.gz	JNUZUYWUPZLGJP-JTQLQIEISA-N	-1	0	292.291	0.543	20	30		CCEDRM
C=C(C)CS(=O)(=O)NC1(C(=O)[O-])CCOCC1	ZINC000575043593	335058189	/nfs/dbraw/zinc/05/81/89/335058189.db2.gz	HDUWFXQUMVMHQO-UHFFFAOYSA-N	-1	0	263.315	0.116	20	30		CCEDRM
C=CC[C@@H](CO)NC(=O)c1ccc([N+](=O)[O-])c([O-])c1	ZINC000185906076	388816379	/nfs/dbraw/zinc/81/63/79/388816379.db2.gz	PYEWJFRLMSMWAY-VIFPVBQESA-N	-1	0	266.253	0.967	20	30		CCEDRM
CO[C@@H](C)C(=O)[N-]S(=O)(=O)c1c(C)noc1C	ZINC000049135104	388917500	/nfs/dbraw/zinc/91/75/00/388917500.db2.gz	PWULFCLJYJSTJA-ZETCQYMHSA-N	-1	0	262.287	0.972	20	30		CCEDRM
C#CCO[N-]C(=O)[C@H]1CN(C(=O)OC(C)(C)C)CCO1	ZINC000291176915	388917960	/nfs/dbraw/zinc/91/79/60/388917960.db2.gz	FGDOCUQJZVLGLB-SNVBAGLBSA-N	-1	0	284.312	0.303	20	30		CCEDRM
C=CCN(CC(=O)[O-])S(=O)(=O)N1CCC[C@@H](C)C1	ZINC000092464013	389028364	/nfs/dbraw/zinc/02/83/64/389028364.db2.gz	PZTGIWVWYBMIMY-SNVBAGLBSA-N	-1	0	276.358	0.536	20	30		CCEDRM
N#Cc1ccc([N+](=O)[O-])c(NCCCc2nc(=O)[n-][nH]2)c1	ZINC000302231449	389066336	/nfs/dbraw/zinc/06/63/36/389066336.db2.gz	YQJVYKZFZZWXSW-UHFFFAOYSA-N	-1	0	288.267	0.923	20	30		CCEDRM
C=CCCOCCNC(=O)N(C)C[C@@H](C)C(=O)[O-]	ZINC000231836108	389160453	/nfs/dbraw/zinc/16/04/53/389160453.db2.gz	NOQAIILZKNTZAP-SNVBAGLBSA-N	-1	0	258.318	0.941	20	30		CCEDRM
Cn1cccc(N=C([O-])[C@H]2CCCCS2(=O)=O)c1=O	ZINC000329473388	389165949	/nfs/dbraw/zinc/16/59/49/389165949.db2.gz	BINDLTYNAZKLBB-SNVBAGLBSA-N	-1	0	284.337	0.941	20	30		CCEDRM
C=CCN(CCC#N)C(=O)c1cnc([O-])n(C)c1=O	ZINC000359435846	389173711	/nfs/dbraw/zinc/17/37/11/389173711.db2.gz	LZQFEKHKBKMJQR-UHFFFAOYSA-N	-1	0	262.269	0.028	20	30		CCEDRM
COc1n[nH]c([N-]S(=O)(=O)c2cc(C#N)ccc2C)n1	ZINC000158211590	389337680	/nfs/dbraw/zinc/33/76/80/389337680.db2.gz	XBBHBXRKHIQCJL-UHFFFAOYSA-N	-1	0	293.308	0.794	20	30		CCEDRM
Cc1cc(C(=O)NC2(C#N)CCC2)[nH]c2nc(=O)[n-]c(=O)c1-2	ZINC000265843973	389362224	/nfs/dbraw/zinc/36/22/24/389362224.db2.gz	AKANUDYNFLQWLP-UHFFFAOYSA-N	-1	0	299.290	0.921	20	30		CCEDRM
C=CCN(CC(=O)[O-])C(=O)[C@@H]1C[C@@H]1c1cnn(C)c1	ZINC000372900679	389459629	/nfs/dbraw/zinc/45/96/29/389459629.db2.gz	GKTKGGFCEGKGPA-GHMZBOCLSA-N	-1	0	263.297	0.623	20	30		CCEDRM
C=CCN(CC(=O)[O-])S(=O)(=O)c1cncc(OC)c1	ZINC000281935608	389636562	/nfs/dbraw/zinc/63/65/62/389636562.db2.gz	RJARFLHVXVLQMD-UHFFFAOYSA-N	-1	0	286.309	0.352	20	30		CCEDRM
C=C[C@@H](CO)NC(=O)c1cc(C)c2c(=O)[n-]c(=O)nc-2[nH]1	ZINC000426856648	389679406	/nfs/dbraw/zinc/67/94/06/389679406.db2.gz	LPBPWYSSSJIPOG-ZETCQYMHSA-N	-1	0	290.279	0.021	20	30		CCEDRM
CC[C@@H](C#N)S(=O)(=O)[N-]c1ccc(-c2nn[nH]n2)cc1	ZINC000416938713	389782253	/nfs/dbraw/zinc/78/22/53/389782253.db2.gz	LTNLNDIDORZMNA-JTQLQIEISA-N	-1	0	292.324	0.911	20	30		CCEDRM
C[C@@H](C(=O)N=c1[n-]n(C)cc1C#N)C1CCOCC1	ZINC000408000633	389818458	/nfs/dbraw/zinc/81/84/58/389818458.db2.gz	FLTBOKIJMDIQJO-SECBINFHSA-N	-1	0	262.313	0.715	20	30		CCEDRM
N#Cc1ccc([C@@H](Sc2n[nH]c(=O)[n-]2)C(N)=O)cc1	ZINC000446066523	389929425	/nfs/dbraw/zinc/92/94/25/389929425.db2.gz	BNLGPSYGRXZICJ-MRVPVSSYSA-N	-1	0	275.293	0.701	20	30		CCEDRM
CN(Cc1ccc(C#N)cc1)C(=O)c1cnc([O-])n(C)c1=O	ZINC000435233053	389953709	/nfs/dbraw/zinc/95/37/09/389953709.db2.gz	RPBCHCYGAOJFPW-UHFFFAOYSA-N	-1	0	298.302	0.630	20	30		CCEDRM
CCn1nccc1S(=O)(=O)[N-]c1c(C#N)cnn1CC	ZINC000438242246	390004152	/nfs/dbraw/zinc/00/41/52/390004152.db2.gz	AVUOZMNZUQBCFD-UHFFFAOYSA-N	-1	0	294.340	0.792	20	30		CCEDRM
C=CCCC[C@H](C)NC(=O)C(=O)NCCC(=O)[O-]	ZINC000420555336	390012369	/nfs/dbraw/zinc/01/23/69/390012369.db2.gz	JIXTUVSZVZTQFA-VIFPVBQESA-N	-1	0	256.302	0.438	20	30		CCEDRM
C#CCCS(=O)(=O)[N-]C(=O)/C=C\c1ccc[nH]1	ZINC000492911183	390118579	/nfs/dbraw/zinc/11/85/79/390118579.db2.gz	LCHZETHKZCPFQY-SREVYHEPSA-N	-1	0	252.295	0.497	20	30		CCEDRM
C#C[C@@H](C)N(C)C(=O)C(=O)N=c1[n-]n(C(C)C)cc1C#N	ZINC000491749227	390116399	/nfs/dbraw/zinc/11/63/99/390116399.db2.gz	PSJRSWIDUGTIEJ-SNVBAGLBSA-N	-1	0	287.323	0.176	20	30		CCEDRM
N#Cc1cncc(S(=O)(=O)[N-]C(=O)/C=C/C2CC2)c1	ZINC000493247255	390121498	/nfs/dbraw/zinc/12/14/98/390121498.db2.gz	CKZMYTXIQBSJSD-ONEGZZNKSA-N	-1	0	277.305	0.724	20	30		CCEDRM
CSc1[n-]c(=O)c(C(=O)NCC#CCO)cc1C#N	ZINC000580094785	390221733	/nfs/dbraw/zinc/22/17/33/390221733.db2.gz	VVJIWQFBKPUNHP-UHFFFAOYSA-N	-1	0	277.305	0.106	20	30		CCEDRM
C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)c1n[nH]c(=O)[n-]1	ZINC000580392063	390243977	/nfs/dbraw/zinc/24/39/77/390243977.db2.gz	GEKILAYPVZJTLT-SFYZADRCSA-N	-1	0	252.274	0.221	20	30		CCEDRM
C=CCCOCC(=O)N1CCC[C@@](COC)(C(=O)[O-])C1	ZINC000648344372	390359634	/nfs/dbraw/zinc/35/96/34/390359634.db2.gz	RPEWAZPNCFOFIH-CQSZACIVSA-N	-1	0	285.340	0.919	20	30		CCEDRM
C[C@@H](CNS(=O)(=O)c1ccc(C#N)cc1F)C(=O)[O-]	ZINC000547870713	390406910	/nfs/dbraw/zinc/40/69/10/390406910.db2.gz	IMBSMWPIJOKXBZ-ZETCQYMHSA-N	-1	0	286.284	0.696	20	30		CCEDRM
Cc1c(C#N)c(=NC(=O)[C@@H]2CCC(=O)c3cccn32)[n-]n1C	ZINC000648434308	390372553	/nfs/dbraw/zinc/37/25/53/390372553.db2.gz	FYDDEWCEFPFGDF-LBPRGKRZSA-N	-1	0	297.318	0.980	20	30		CCEDRM
C=C[C@@H]1OCCC[C@H]1C(=O)N1C[C@@H](OC)C[C@H]1C(=O)[O-]	ZINC000563019671	390492864	/nfs/dbraw/zinc/49/28/64/390492864.db2.gz	KUCLANOCFAHKJC-USZNOCQGSA-N	-1	0	283.324	0.668	20	30		CCEDRM
C=CCN(CC=C)C(=O)CN(CC(=O)[O-])C1CCOCC1	ZINC000516297604	390481295	/nfs/dbraw/zinc/48/12/95/390481295.db2.gz	HHTTVIXFBZECGQ-UHFFFAOYSA-N	-1	0	296.367	0.753	20	30		CCEDRM
C=CCCOCC(=O)N1CCC[C@]1(COC)C(=O)[O-]	ZINC000643850064	390582531	/nfs/dbraw/zinc/58/25/31/390582531.db2.gz	KKEHYSSZDOPDQU-ZDUSSCGKSA-N	-1	0	271.313	0.671	20	30		CCEDRM
C=CCCS(=O)(=O)NCCc1nc(C(=O)[O-])cs1	ZINC000646049769	390585187	/nfs/dbraw/zinc/58/51/87/390585187.db2.gz	WYRWFDBFWSMHRT-UHFFFAOYSA-N	-1	0	290.366	0.879	20	30		CCEDRM
C=CCCCS(=O)(=O)N1C[C@H](OC)C[C@H]1CC(=O)[O-]	ZINC000646049176	390585491	/nfs/dbraw/zinc/58/54/91/390585491.db2.gz	ZACDPTCVKCLPKF-WDEREUQCSA-N	-1	0	291.369	0.846	20	30		CCEDRM
Cc1c(S(=O)(=O)[N-]c2cc(CC#N)ccn2)cnn1C	ZINC000565810770	390547547	/nfs/dbraw/zinc/54/75/47/390547547.db2.gz	DROZDCFJYSAECK-UHFFFAOYSA-N	-1	0	291.336	0.990	20	30		CCEDRM
CC#CC[C@H](CO)NC(=O)N=c1[n-]nc(C)s1	ZINC000646177756	390624428	/nfs/dbraw/zinc/62/44/28/390624428.db2.gz	JXLSRVNDFQRCJB-MRVPVSSYSA-N	-1	0	254.315	0.164	20	30		CCEDRM
CC#CC[C@H](CO)NC(=O)N=c1nc([C@H](C)OC)[n-]s1	ZINC000646407224	390678137	/nfs/dbraw/zinc/67/81/37/390678137.db2.gz	LDZMKOQXEUIUAM-DTWKUNHWSA-N	-1	0	298.368	0.563	20	30		CCEDRM
COc1cc(=NC(=O)c2ccc(C#N)c([O-])c2)[nH]n1C	ZINC000527194426	390695565	/nfs/dbraw/zinc/69/55/65/390695565.db2.gz	INJGMXMQMYJVEZ-UHFFFAOYSA-N	-1	0	272.264	0.680	20	30		CCEDRM
COCCCn1cc(C(=O)Nc2nc(C#N)c(C#N)[n-]2)cn1	ZINC000530262613	390875866	/nfs/dbraw/zinc/87/58/66/390875866.db2.gz	VPCZXXMUDMHEBX-UHFFFAOYSA-N	-1	0	299.294	0.638	20	30		CCEDRM
C=CCCCC(=O)N1CC(n2cc(C#N)c(=O)[n-]c2=O)C1	ZINC000530270557	390875888	/nfs/dbraw/zinc/87/58/88/390875888.db2.gz	NPVHNYNGAOBVKN-UHFFFAOYSA-N	-1	0	288.307	0.560	20	30		CCEDRM
C=C[C@@H]1CCCCN1C(=O)C(=O)N[C@H]1CC[C@@H](C(=O)[O-])C1	ZINC000647591788	390844633	/nfs/dbraw/zinc/84/46/33/390844633.db2.gz	KHXIYKGEKDLKAW-GRYCIOLGSA-N	-1	0	294.351	0.923	20	30		CCEDRM
C=CCn1cc(C(=O)NC2(C(=O)[O-])CCCCC2)nn1	ZINC000647602017	390848793	/nfs/dbraw/zinc/84/87/93/390848793.db2.gz	WXFPVJJYAVAIEG-UHFFFAOYSA-N	-1	0	278.312	0.981	20	30		CCEDRM
Cc1[nH]c(C#N)cc1C(=O)NC1(c2nnn[n-]2)CCCC1	ZINC000449922579	533601523	/nfs/dbraw/zinc/60/15/23/533601523.db2.gz	BTGYWVCOVJFTRC-UHFFFAOYSA-N	-1	0	285.311	0.907	20	30		CCEDRM
Cc1cc(C(=O)N=c2[n-]n(C)cc2C#N)nn1C(F)F	ZINC000341818044	130054925	/nfs/dbraw/zinc/05/49/25/130054925.db2.gz	PQJVMGGHLBORGR-UHFFFAOYSA-N	-1	0	280.238	0.866	20	30		CCEDRM
Cc1[n-][nH]c(=NC(=O)c2ccc3[nH]c(=O)[nH]c3c2)c1C#N	ZINC000357251123	144074243	/nfs/dbraw/zinc/07/42/43/144074243.db2.gz	ZLIVIPQTQBNEOP-UHFFFAOYSA-N	-1	0	282.263	0.846	20	30		CCEDRM
CC#CCCCC(=O)N=c1ccc(C(=O)NC)n[n-]1	ZINC000650817461	397766330	/nfs/dbraw/zinc/76/63/30/397766330.db2.gz	DNHJZYNXQMXGPZ-UHFFFAOYSA-N	-1	0	260.297	0.390	20	30		CCEDRM
N#Cc1ccc(F)c(CS(=O)(=O)N2CC(C(=O)[O-])C2)c1	ZINC000548552628	286047583	/nfs/dbraw/zinc/04/75/83/286047583.db2.gz	YTTACBLDDWYGFS-UHFFFAOYSA-N	-1	0	298.295	0.544	20	30		CCEDRM
C=CCNC(=O)C[N-]S(=O)(=O)c1c(F)cccc1F	ZINC000008316654	170330773	/nfs/dbraw/zinc/33/07/73/170330773.db2.gz	LAKFPXDZALIRAP-UHFFFAOYSA-N	-1	0	290.291	0.545	20	30		CCEDRM
C=CC[C@@H](CC)NC(=O)C(=O)N=c1ncn(C(C)C)[n-]1	ZINC000651770463	411932081	/nfs/dbraw/zinc/93/20/81/411932081.db2.gz	UVMAYOIYEZYCSQ-SNVBAGLBSA-N	-1	0	279.344	0.690	20	30		CCEDRM
C=CCOC[C@H](NC(=O)c1n[nH]c2c1CCCC2)C(=O)[O-]	ZINC000653658570	412330604	/nfs/dbraw/zinc/33/06/04/412330604.db2.gz	RTFJVPKVFCVHQO-NSHDSACASA-N	-1	0	293.323	0.674	20	30		CCEDRM
C=CCn1cc(C(=O)N(C)[C@@H](CC)C(=O)[O-])nn1	ZINC000653344944	412291389	/nfs/dbraw/zinc/29/13/89/412291389.db2.gz	HQWRRKLCYJOEIJ-VIFPVBQESA-N	-1	0	252.274	0.399	20	30		CCEDRM
C=CCOC[C@H](NC(=O)N[C@H](C)C(C)C)C(=O)[O-]	ZINC000654804999	412441209	/nfs/dbraw/zinc/44/12/09/412441209.db2.gz	YLPMGWSQCRYLNS-ZJUUUORDSA-N	-1	0	258.318	0.986	20	30		CCEDRM
C=CCCO[C@H](C)C(=O)N1C[C@@H]2COC[C@]2(C(=O)[O-])C1	ZINC000659779251	413871951	/nfs/dbraw/zinc/87/19/51/413871951.db2.gz	KNMKGPVASKLMFB-JTNHKYCSSA-N	-1	0	283.324	0.527	20	30		CCEDRM
C=CCn1cc(CNC(=O)[C@@H](C(=O)[O-])C(C)(C)C)nn1	ZINC000663055669	414965940	/nfs/dbraw/zinc/96/59/40/414965940.db2.gz	CEXXTZCPBZOHGS-JTQLQIEISA-N	-1	0	280.328	0.827	20	30		CCEDRM
C=CCOCCNC(=O)N[C@@H](C(=O)[O-])c1ccn(C)n1	ZINC000663266417	415031230	/nfs/dbraw/zinc/03/12/30/415031230.db2.gz	PAKJVBYQPGEYGP-SNVBAGLBSA-N	-1	0	282.300	0.048	20	30		CCEDRM
N#Cc1cc(F)ccc1CN1CCO[C@@H](C(=O)[O-])C1	ZINC000071263990	176097356	/nfs/dbraw/zinc/09/73/56/176097356.db2.gz	FWSPLSDYGYZJKZ-GFCCVEGCSA-N	-1	0	264.256	0.983	20	30		CCEDRM
C=CCN(CC(=O)[O-])S(=O)(=O)c1c(C)noc1C	ZINC000076719318	177069328	/nfs/dbraw/zinc/06/93/28/177069328.db2.gz	MFYQKSIJCVCUAZ-UHFFFAOYSA-N	-1	0	274.298	0.553	20	30		CCEDRM
C=CC[C@H](NS(=O)(=O)N1C[C@H](C)C[C@@H](C)C1)C(=O)[O-]	ZINC000161299413	544705608	/nfs/dbraw/zinc/70/56/08/544705608.db2.gz	URTOEKLAECHBQM-MXWKQRLJSA-N	-1	0	290.385	0.828	20	30		CCEDRM
C=CC[C@@H](NS(=O)(=O)N1C[C@H](C)C[C@H](C)C1)C(=O)[O-]	ZINC000227521143	544836384	/nfs/dbraw/zinc/83/63/84/544836384.db2.gz	URTOEKLAECHBQM-OUAUKWLOSA-N	-1	0	290.385	0.828	20	30		CCEDRM
C=C[C@@](C)(CCOC)C(=O)N1CCO[C@H](c2nnn[n-]2)C1	ZINC000363686192	260604357	/nfs/dbraw/zinc/60/43/57/260604357.db2.gz	JWNVBQPPFCDFRB-GWCFXTLKSA-N	-1	0	295.343	0.328	20	30		CCEDRM
C#CCN(CC#CC)C(=O)Cc1n[n-]c(=NC)s1	ZINC000490950284	261262548	/nfs/dbraw/zinc/26/25/48/261262548.db2.gz	PNTCJFPMELWVGY-UHFFFAOYSA-N	-1	0	262.338	0.029	20	30		CCEDRM
C[C@H]1CCCN1S(=O)(=O)Nc1ccn(CCC#N)n1	ZINC000185250333	262303882	/nfs/dbraw/zinc/30/38/82/262303882.db2.gz	WMXFEDCPMPSDSM-JTQLQIEISA-N	-1	0	283.357	0.938	20	30		CCEDRM
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CCN(C[C@@H](C)C#N)C(=O)CN1CCN(C(=O)[O-])[C@H](C)C1	ZINC000739402904	581130998	/nfs/dbraw/zinc/13/09/98/581130998.db2.gz	IDWCVSHYWGBUOI-NWDGAFQWSA-N	-1	0	296.371	0.679	20	30		CCEDRM
C#CCCS(=O)(=O)[N-]C(=O)c1ccc(C)n1C	ZINC000791110524	581207630	/nfs/dbraw/zinc/20/76/30/581207630.db2.gz	DSPVQBNJZQCGPK-UHFFFAOYSA-N	-1	0	254.311	0.416	20	30		CCEDRM
O=C([O-])c1cc(C=NN[C@@H]2CCOC2)ccc1O	ZINC000788457680	581112435	/nfs/dbraw/zinc/11/24/35/581112435.db2.gz	VBPCTNHMBTVQPL-SECBINFHSA-N	-1	0	250.254	0.803	20	30		CCEDRM
CCN(CCNS(=O)(=O)c1cccc(C#N)c1)C(=O)[O-]	ZINC000739440478	581137873	/nfs/dbraw/zinc/13/78/73/581137873.db2.gz	ZQJHOJYDZPEBTE-UHFFFAOYSA-N	-1	0	297.336	0.836	20	30		CCEDRM
CCOc1cnc(C([O-])=C(C#N)C(=O)NC2CC2)cn1	ZINC000778607175	581160429	/nfs/dbraw/zinc/16/04/29/581160429.db2.gz	SJYULWYSMYFQCL-SECBINFHSA-N	-1	0	274.280	0.476	20	30		CCEDRM
COCCCNC(=O)C(C#N)=C([O-])c1c[nH]c(C#N)c1	ZINC000779194353	581176831	/nfs/dbraw/zinc/17/68/31/581176831.db2.gz	RSSKXGUEICDRIP-NSHDSACASA-N	-1	0	274.280	0.362	20	30		CCEDRM
COc1cccc(N=NCc2cn(CC(=O)[O-])nn2)n1	ZINC000779818684	581209009	/nfs/dbraw/zinc/20/90/09/581209009.db2.gz	ARWMEZNIRUNWEY-UHFFFAOYSA-N	-1	0	276.256	0.212	20	30		CCEDRM
CNC(=O)C(C#N)=C([O-])c1ccc(OCCCOC)nc1	ZINC000726321377	581236840	/nfs/dbraw/zinc/23/68/40/581236840.db2.gz	GMMGJHCJFRWITB-LLVKDONJSA-N	-1	0	291.307	0.565	20	30		CCEDRM
CC(C)(C#N)CS(=O)(=O)[N-]C(=O)CCOCC(F)F	ZINC000791865149	581237723	/nfs/dbraw/zinc/23/77/23/581237723.db2.gz	CWASXOSXRLKIIL-UHFFFAOYSA-N	-1	0	298.311	0.654	20	30		CCEDRM
CC(C)(C#N)CS(=O)(=O)[N-]C(=O)[C@@]1(C)CCCOC1	ZINC000781469969	581269478	/nfs/dbraw/zinc/26/94/78/581269478.db2.gz	MTFJIGKXPQMQBH-LBPRGKRZSA-N	-1	0	288.369	0.799	20	30		CCEDRM
CC[C@@H](NN=C(CS(=O)(=O)N(C)C)C(C)C)C(=O)[O-]	ZINC000793056717	581282681	/nfs/dbraw/zinc/28/26/81/581282681.db2.gz	JVYQOZMDMOGRIR-SECBINFHSA-N	-1	0	293.389	0.343	20	30		CCEDRM
CC[C@@H](NN=Cc1cnc(N(C)C)s1)C(=O)[O-]	ZINC000793082368	581283705	/nfs/dbraw/zinc/28/37/05/581283705.db2.gz	WVQWTJZCEWSWRD-MRVPVSSYSA-N	-1	0	256.331	0.996	20	30		CCEDRM
CNC(=O)C(C#N)=C([O-])c1cnc(OC)c(Cl)c1	ZINC000793124136	581284605	/nfs/dbraw/zinc/28/46/05/581284605.db2.gz	JEKUMBWSMFNVIQ-ZETCQYMHSA-N	-1	0	267.672	0.812	20	30		CCEDRM
N#CC1(CS(=O)(=O)[N-]C(=O)[C@H]2C[C@]23CCOC3)CC1	ZINC000793194677	581287883	/nfs/dbraw/zinc/28/78/83/581287883.db2.gz	URZKPIPFSGYDMT-SKDRFNHKSA-N	-1	0	284.337	0.163	20	30		CCEDRM
CC[C@@H](C)[C@@H](OC)C(=O)[N-]S(=O)(=O)CC1(C#N)CC1	ZINC000793196007	581287915	/nfs/dbraw/zinc/28/79/15/581287915.db2.gz	FHFWGMNCHRIPJU-NXEZZACHSA-N	-1	0	288.369	0.797	20	30		CCEDRM
N#Cc1cc(F)ccc1Cn1cnc(-c2nnn[n-]2)n1	ZINC000737703528	581316599	/nfs/dbraw/zinc/31/65/99/581316599.db2.gz	CBZVTWFFHPSKHX-UHFFFAOYSA-N	-1	0	270.231	0.517	20	30		CCEDRM
COCCN(CCC#N)C(=O)CCCNC(=O)[O-]	ZINC000737779910	581330160	/nfs/dbraw/zinc/33/01/60/581330160.db2.gz	XUYOIFMRJOIMSG-UHFFFAOYSA-N	-1	0	257.290	0.423	20	30		CCEDRM
C#CCN(CC#CC)C(=O)[C@H](CCC)NC(=O)[O-]	ZINC000738456996	581331129	/nfs/dbraw/zinc/33/11/29/581331129.db2.gz	ILVHRYLNDMPLJE-NSHDSACASA-N	-1	0	250.298	0.908	20	30		CCEDRM
CSCCO[N-]C(=O)Cc1noc(C)c1C#N	ZINC000794182314	581349982	/nfs/dbraw/zinc/34/99/82/581349982.db2.gz	BJVOPXNLCSPWKA-UHFFFAOYSA-N	-1	0	255.299	0.808	20	30		CCEDRM
N#CCNC(=O)C/N=C\c1cc([N+](=O)[O-])ccc1[O-]	ZINC000794676635	581383436	/nfs/dbraw/zinc/38/34/36/581383436.db2.gz	OSDYIHWVALUZTP-MLPAPPSSSA-N	-1	0	262.225	0.359	20	30		CCEDRM
C[C@@H]1COC(=O)C1=N[N-]c1ncccc1[N+](=O)[O-]	ZINC000794919467	581391132	/nfs/dbraw/zinc/39/11/32/581391132.db2.gz	ZDKSVJREUFVDOD-ZCFIWIBFSA-N	-1	0	250.214	0.951	20	30		CCEDRM
N#CC(C(=O)NC1CC1)=C([O-])c1ccnc(C#N)c1	ZINC000796633940	581446699	/nfs/dbraw/zinc/44/66/99/581446699.db2.gz	GGBDZJYDGZMFKB-NSHDSACASA-N	-1	0	254.249	0.554	20	30		CCEDRM
CO[C@H](C)CS(=O)(=O)[N-]C(=O)c1ccnc(C#N)c1	ZINC000796904265	581454451	/nfs/dbraw/zinc/45/44/51/581454451.db2.gz	HEVXDYGMLYTVHO-MRVPVSSYSA-N	-1	0	283.309	0.048	20	30		CCEDRM
Cn1nccc1S(=O)(=O)[N-]C(=O)c1ccc(C#N)o1	ZINC000797084837	581459188	/nfs/dbraw/zinc/45/91/88/581459188.db2.gz	XHFWCWJUTASVKV-UHFFFAOYSA-N	-1	0	280.265	0.003	20	30		CCEDRM
N#Cc1cccnc1NCCOC(=O)[C@H]1C[C@H]1C(=O)[O-]	ZINC000739141881	581510995	/nfs/dbraw/zinc/51/09/95/581510995.db2.gz	BSEWRURFDKESNY-ZJUUUORDSA-N	-1	0	275.264	0.629	20	30		CCEDRM
N#Cc1ccccc1OCCN1C[C@H](O)C[C@H]1C(=O)[O-]	ZINC000739146570	581511390	/nfs/dbraw/zinc/51/13/90/581511390.db2.gz	HQSZQHLYRXNVKZ-NEPJUHHUSA-N	-1	0	276.292	0.457	20	30		CCEDRM
CC(C)[C@@](C)(C#N)NC(=O)CN1CCN(C(=O)[O-])C[C@H]1C	ZINC000739161605	581514072	/nfs/dbraw/zinc/51/40/72/581514072.db2.gz	QQWYMYCBTZWKIH-BXUZGUMPSA-N	-1	0	296.371	0.725	20	30		CCEDRM
CNC(=S)NN=Cc1[nH]nc2cc(C(=O)[O-])ccc21	ZINC000765549787	581525238	/nfs/dbraw/zinc/52/52/38/581525238.db2.gz	ZXWNHDYRPSNJIG-UHFFFAOYSA-N	-1	0	277.309	0.689	20	30		CCEDRM
C=CCC(CC=C)C(=O)[N-]S(=O)(=O)c1ccnn1C	ZINC000765663677	581532633	/nfs/dbraw/zinc/53/26/33/581532633.db2.gz	XATKIZQHPCJYCJ-UHFFFAOYSA-N	-1	0	283.353	0.993	20	30		CCEDRM
CCN(CCNC(=O)N1CCC(C#N)CC1)C(=O)[O-]	ZINC000739426726	581551311	/nfs/dbraw/zinc/55/13/11/581551311.db2.gz	OJEKJGCOADAUJZ-UHFFFAOYSA-N	-1	0	268.317	0.931	20	30		CCEDRM
C[C@H](C#N)CN(C)C(=O)NC[C@@H]1CCCN1C(=O)[O-]	ZINC000738597302	581577536	/nfs/dbraw/zinc/57/75/36/581577536.db2.gz	QTOFGFUMGFAMMP-ZJUUUORDSA-N	-1	0	268.317	0.930	20	30		CCEDRM
C=CCCOCC(=O)[N-]S(=O)(=O)CCCCOC	ZINC000766973838	581591147	/nfs/dbraw/zinc/59/11/47/581591147.db2.gz	LNDLAZNTNMVKLP-UHFFFAOYSA-N	-1	0	279.358	0.452	20	30		CCEDRM
Cn1ncc2c1nc(N=NC1CCCOC1)[n-]c2=O	ZINC000769815878	581608985	/nfs/dbraw/zinc/60/89/85/581608985.db2.gz	ACNKXRATTQYZJL-UHFFFAOYSA-N	-1	0	262.273	0.647	20	30		CCEDRM
C=CCOCC(=O)[N-]S(=O)(=O)c1ccc(F)cc1	ZINC000729884257	581617976	/nfs/dbraw/zinc/61/79/76/581617976.db2.gz	QJVCZNLEKSWYLZ-UHFFFAOYSA-N	-1	0	273.285	0.833	20	30		CCEDRM
CON=Cc1ccc(C(=O)N[C@H](C)C(=O)[O-])cc1	ZINC000739848004	581629752	/nfs/dbraw/zinc/62/97/52/581629752.db2.gz	BZYAUBIIMAEXCJ-MRVPVSSYSA-N	-1	0	250.254	0.870	20	30		CCEDRM
CSCC[C@@H](NC(=O)[O-])C(=O)N1CCO[C@@H](C#N)C1	ZINC000740017706	581644755	/nfs/dbraw/zinc/64/47/55/581644755.db2.gz	OUOGSPZWORLLNK-DTWKUNHWSA-N	-1	0	287.341	0.127	20	30		CCEDRM
CNC(=O)C(C#N)=C([O-])c1ccc2nnn(C)c2c1	ZINC000755611138	581648356	/nfs/dbraw/zinc/64/83/56/581648356.db2.gz	IVZFUTZXPQKYID-QMMMGPOBSA-N	-1	0	257.253	0.037	20	30		CCEDRM
CC#CCS(=O)(=O)[N-]C(=O)[C@H]1CCO[C@H](C)C1	ZINC000788072445	581657528	/nfs/dbraw/zinc/65/75/28/581657528.db2.gz	VMIIBDMALKCTKN-ZJUUUORDSA-N	-1	0	259.327	0.271	20	30		CCEDRM
O=C([O-])Cn1cc(/C=C2\Cc3c(cccc3O)C2=O)nn1	ZINC000768850400	581659834	/nfs/dbraw/zinc/65/98/34/581659834.db2.gz	ZFSIKRNIBWKHAJ-XBXARRHUSA-N	-1	0	285.259	0.891	20	30		CCEDRM
N#C[C@@]1(NC(=O)[C@@H]2CCN(C(=O)[O-])C2)CCSC1	ZINC000740309141	581663550	/nfs/dbraw/zinc/66/35/50/581663550.db2.gz	DYMFZPDDMWYAEL-KCJUWKMLSA-N	-1	0	269.326	0.502	20	30		CCEDRM
N#CCSCC(=O)OC[C@@H]1CCN(C(=O)[O-])C1	ZINC000740310883	581663894	/nfs/dbraw/zinc/66/38/94/581663894.db2.gz	PDUHSRCJXOSRNE-MRVPVSSYSA-N	-1	0	258.299	0.786	20	30		CCEDRM
N#Cc1cc([N+](=O)[O-])cnc1N1CC[C@H](CNC(=O)[O-])C1	ZINC000740312296	581664721	/nfs/dbraw/zinc/66/47/21/581664721.db2.gz	CTEHOWYYYTVORG-MRVPVSSYSA-N	-1	0	291.267	0.955	20	30		CCEDRM
N#Cc1ccccc1S(=O)(=O)N1CC[C@@H](NC(=O)[O-])C1	ZINC000740321904	581665002	/nfs/dbraw/zinc/66/50/02/581665002.db2.gz	KHOQLPJZYTXNFD-SNVBAGLBSA-N	-1	0	295.320	0.589	20	30		CCEDRM
N#Cc1cccc(COC(=O)[C@H]2C[C@@H](O)CN2C(=O)[O-])c1	ZINC000740320683	581665422	/nfs/dbraw/zinc/66/54/22/581665422.db2.gz	WRRCUXJNAZTLBN-VXGBXAGGSA-N	-1	0	290.275	0.715	20	30		CCEDRM
C=C(C)[C@H](CC(=O)[N-]S(=O)(=O)c1cnccn1)OCC	ZINC000756573303	581672565	/nfs/dbraw/zinc/67/25/65/581672565.db2.gz	OWOUPGSJGQEKBS-JTQLQIEISA-N	-1	0	299.352	0.653	20	30		CCEDRM
O=C([O-])N1CC[C@@H](/N=C/c2ccc(O)c(O)c2O)C1	ZINC000740504814	581688729	/nfs/dbraw/zinc/68/87/29/581688729.db2.gz	FCARLKFOBIULLB-BWJGRMQRSA-N	-1	0	266.253	0.975	20	30		CCEDRM
C=CCN(CC(=O)OCC)C(=O)[C@@H]1C[C@@H]1C(=O)[O-]	ZINC000736108001	581697536	/nfs/dbraw/zinc/69/75/36/581697536.db2.gz	FZKMDWAGAYMJDX-BDAKNGLRSA-N	-1	0	255.270	0.285	20	30		CCEDRM
C=CCNC(=O)[C@H](C)OC(=O)CCCNC(=O)[O-]	ZINC000736107244	581697675	/nfs/dbraw/zinc/69/76/75/581697675.db2.gz	VGHUGBLWJSBEPM-QMMMGPOBSA-N	-1	0	258.274	0.268	20	30		CCEDRM
C#CCSCCNC(=O)NC1CCN(C(=O)[O-])CC1	ZINC000736087300	581700414	/nfs/dbraw/zinc/70/04/14/581700414.db2.gz	GAPXFIRRUYZNBD-UHFFFAOYSA-N	-1	0	285.369	0.794	20	30		CCEDRM
C=CCCC(=O)OCC(=O)N1CCC(C(=O)[O-])CC1	ZINC000736097552	581702081	/nfs/dbraw/zinc/70/20/81/581702081.db2.gz	MZVZYFOVVMYBLE-UHFFFAOYSA-N	-1	0	269.297	0.819	20	30		CCEDRM
O=C([O-])NC[C@H]1CCCC1=NN[C@H]1CCS(=O)(=O)C1	ZINC000740621736	581702483	/nfs/dbraw/zinc/70/24/83/581702483.db2.gz	YUDWUXOZXYZGJP-BDAKNGLRSA-N	-1	0	289.357	0.187	20	30		CCEDRM
CC(=O)c1ccc(CC(=O)N(CC#N)CC(=O)[O-])cc1	ZINC000736193281	581713478	/nfs/dbraw/zinc/71/34/78/581713478.db2.gz	UJGZRWKHMHPOGG-UHFFFAOYSA-N	-1	0	274.276	0.868	20	30		CCEDRM
C[C@](C#N)(NC(=O)CN1CCC[C@@H]1C(=O)[O-])C1CC1	ZINC000736203674	581715074	/nfs/dbraw/zinc/71/50/74/581715074.db2.gz	VNXRWJMXLTWCPX-ZWNOBZJWSA-N	-1	0	265.313	0.344	20	30		CCEDRM
CC(C)[C@](C)(C#N)NC(=O)Cn1cnc(C(=O)[O-])n1	ZINC000736349196	581748388	/nfs/dbraw/zinc/74/83/88/581748388.db2.gz	ISOFZXFIDNUPLN-NSHDSACASA-N	-1	0	265.273	0.031	20	30		CCEDRM
CC(C)[C@@H](NC(=O)[O-])C(=O)N1CCN(C2CC2)[C@@H](C#N)C1	ZINC000736361331	581749250	/nfs/dbraw/zinc/74/92/50/581749250.db2.gz	CFZFJDCBWCUQKO-NWDGAFQWSA-N	-1	0	294.355	0.477	20	30		CCEDRM
O=C([O-])c1csc(C=NN2C(=O)CNC2=O)c1	ZINC000770607310	581755633	/nfs/dbraw/zinc/75/56/33/581755633.db2.gz	JPDCCBARZRFNBU-UHFFFAOYSA-N	-1	0	253.239	0.332	20	30		CCEDRM
Cn1ccc(C(=O)[N-]S(=O)(=O)CC2(C#N)CCC2)c1	ZINC000771078039	581790391	/nfs/dbraw/zinc/79/03/91/581790391.db2.gz	XXONWMLNENKFRA-UHFFFAOYSA-N	-1	0	281.337	0.779	20	30		CCEDRM
C[C@H](CNC(=O)C(=O)Nc1cccc(C#N)c1)C(=O)[O-]	ZINC000736588948	581799967	/nfs/dbraw/zinc/79/99/67/581799967.db2.gz	SLJXMAWEXXUWBK-MRVPVSSYSA-N	-1	0	275.264	0.334	20	30		CCEDRM
NC(=O)CON=Cc1cccc(OCCC(=O)[O-])c1	ZINC000771575742	581810120	/nfs/dbraw/zinc/81/01/20/581810120.db2.gz	JEVXDQORIJQTMV-UHFFFAOYSA-N	-1	0	266.253	0.376	20	30		CCEDRM
CCSCCn1c(N)nc(-c2nnn[n-]2)c1C#N	ZINC000736668395	581813805	/nfs/dbraw/zinc/81/38/05/581813805.db2.gz	YPCSTSAEADLOMJ-UHFFFAOYSA-N	-1	0	264.318	0.270	20	30		CCEDRM
CC(C)[C@@](C)(C#N)NC(=O)[C@@H](C)OC(=O)CCNC(=O)[O-]	ZINC000736688067	581818269	/nfs/dbraw/zinc/81/82/69/581818269.db2.gz	MPIJUEGTWIBUAH-NOZJJQNGSA-N	-1	0	299.327	0.630	20	30		CCEDRM
C[C@@H](OC[C@@H]1CCCCO1)C(=O)N(CC#N)CC(=O)[O-]	ZINC000736696273	581820808	/nfs/dbraw/zinc/82/08/08/581820808.db2.gz	JYGHHKMHZRVYQW-MNOVXSKESA-N	-1	0	284.312	0.397	20	30		CCEDRM
CNC(=O)c1cccc(C([O-])=C(C#N)C(=O)N2CCCC2)c1	ZINC000744024409	581830452	/nfs/dbraw/zinc/83/04/52/581830452.db2.gz	VNTLXQKJUXQTQN-ZDUSSCGKSA-N	-1	0	299.330	0.991	20	30		CCEDRM
CC[C@@H](C)[C@@H](NC(=O)CN(CC#N)C1CC1)C(=O)[O-]	ZINC000736880831	581864126	/nfs/dbraw/zinc/86/41/26/581864126.db2.gz	ZRMSHPCVJCGZDA-BXKDBHETSA-N	-1	0	267.329	0.590	20	30		CCEDRM
CCC(CC)N1C[C@H](C(=O)N(CC#N)CC(=O)[O-])CC1=O	ZINC000736900884	581867457	/nfs/dbraw/zinc/86/74/57/581867457.db2.gz	UYLBCVAWXDBSTD-SNVBAGLBSA-N	-1	0	295.339	0.460	20	30		CCEDRM
C=CCS(=O)(=O)[N-]C(=O)c1ccnc(-n2cccn2)c1	ZINC000772720391	581886098	/nfs/dbraw/zinc/88/60/98/581886098.db2.gz	LLHAIRPFDYWZDW-UHFFFAOYSA-N	-1	0	292.320	0.513	20	30		CCEDRM
C=CCS(=O)(=O)[N-]C(=O)CC[C@H]1CCCCO1	ZINC000772721333	581886233	/nfs/dbraw/zinc/88/62/33/581886233.db2.gz	LZIJCXREGHRNCT-SNVBAGLBSA-N	-1	0	261.343	0.968	20	30		CCEDRM
C#CCCNC(=O)c1ccc(-c2nc(=O)o[n-]2)cc1	ZINC000733366456	581903302	/nfs/dbraw/zinc/90/33/02/581903302.db2.gz	GNUJYRCHBZWZHA-UHFFFAOYSA-N	-1	0	257.249	0.783	20	30		CCEDRM
CN(C)C(=O)c1ccc(C(=O)N(CC#N)CC(=O)[O-])cc1	ZINC000737352481	581947128	/nfs/dbraw/zinc/94/71/28/581947128.db2.gz	MODOTFWOFIHPSR-UHFFFAOYSA-N	-1	0	289.291	0.439	20	30		CCEDRM
CN1CC[C@@H](N[C@@H](C(=O)[O-])c2ccc(C#N)cc2)C1=O	ZINC000737514044	581970102	/nfs/dbraw/zinc/97/01/02/581970102.db2.gz	DBRCCEAHWSGACO-VXGBXAGGSA-N	-1	0	273.292	0.504	20	30		CCEDRM
C=CCNC(=O)[C@@H](C)OC(=O)C1CCN(C(=O)[O-])CC1	ZINC000737532534	581973816	/nfs/dbraw/zinc/97/38/16/581973816.db2.gz	QLXQPBFMSPHONN-SECBINFHSA-N	-1	0	284.312	0.610	20	30		CCEDRM
COC(=O)[C@@H](OC(=O)CNC(=O)[O-])c1ccc(C#N)cc1	ZINC000737575967	581983133	/nfs/dbraw/zinc/98/31/33/581983133.db2.gz	CWGLLYKDVXNGCY-NSHDSACASA-N	-1	0	292.247	0.583	20	30		CCEDRM
COC(=O)C[C@@H](NC(=O)c1sccc1C#N)C(=O)[O-]	ZINC000737593904	581985668	/nfs/dbraw/zinc/98/56/68/581985668.db2.gz	WSEJWOPQPJWZMD-SSDOTTSWSA-N	-1	0	282.277	0.366	20	30		CCEDRM
C=CCOc1cccnc1C(=O)OCc1n[nH]c(=O)[n-]1	ZINC000775112142	582012021	/nfs/dbraw/zinc/01/20/21/582012021.db2.gz	HBLCGTUPYHBVMA-UHFFFAOYSA-N	-1	0	276.252	0.827	20	30		CCEDRM
CC(C)S(=O)(=O)NN=Cc1ccc(C(=O)[O-])[nH]1	ZINC000749814352	582023177	/nfs/dbraw/zinc/02/31/77/582023177.db2.gz	AOWNFVLEQJTVAT-UHFFFAOYSA-N	-1	0	259.287	0.375	20	30		CCEDRM
Cc1c(C(=O)N(CC#N)CC(=O)[O-])cccc1[N+](=O)[O-]	ZINC000738258847	582032309	/nfs/dbraw/zinc/03/23/09/582032309.db2.gz	ORHHONOIPTUTBQ-UHFFFAOYSA-N	-1	0	277.236	0.954	20	30		CCEDRM
C=C[C@@](C)(CCOC)C(=O)[N-]S(=O)(=O)C[C@H](C)OC	ZINC000764193137	582034769	/nfs/dbraw/zinc/03/47/69/582034769.db2.gz	FZAQIQNALPFCEI-JQWIXIFHSA-N	-1	0	293.385	0.696	20	30		CCEDRM
Cc1cc(C)n([C@H](C)C(=O)N(CC#N)CC(=O)[O-])n1	ZINC000738372073	582041005	/nfs/dbraw/zinc/04/10/05/582041005.db2.gz	OLJBWZPXHSTRBT-SNVBAGLBSA-N	-1	0	264.285	0.498	20	30		CCEDRM
N#C[C@@H](NC(=O)[C@@H]1CCCN(C(=O)[O-])C1)C1CC1	ZINC000738421431	582047690	/nfs/dbraw/zinc/04/76/90/582047690.db2.gz	DFVWGBABIRUPJS-NXEZZACHSA-N	-1	0	251.286	0.795	20	30		CCEDRM
Cc1cc(NC(=O)[C@@H]2C[C@H]2C(=O)[O-])n(CCC#N)n1	ZINC000738422080	582047798	/nfs/dbraw/zinc/04/77/98/582047798.db2.gz	KBOSWKBMTGSHLO-RKDXNWHRSA-N	-1	0	262.269	0.764	20	30		CCEDRM
N#CCN1CCC(NC(=O)N2CCC[C@@H](C(=O)[O-])C2)CC1	ZINC000738426097	582048333	/nfs/dbraw/zinc/04/83/33/582048333.db2.gz	MFGGNZQMRFVTDP-LLVKDONJSA-N	-1	0	294.355	0.481	20	30		CCEDRM
C#CCCNC(=O)C(=O)Nc1ccc(NC(=O)[O-])nc1	ZINC000738456901	582052542	/nfs/dbraw/zinc/05/25/42/582052542.db2.gz	FBDVBYONMIAHQH-UHFFFAOYSA-N	-1	0	276.252	0.250	20	30		CCEDRM
N#CCCCS(=O)(=O)[N-]C(=O)CCc1cscn1	ZINC000776122323	582052790	/nfs/dbraw/zinc/05/27/90/582052790.db2.gz	PKNJIYGVLGGEOP-UHFFFAOYSA-N	-1	0	287.366	0.825	20	30		CCEDRM
C#CCN1CCN(C(=O)[C@H](CCC)NC(=O)[O-])CC1	ZINC000738459845	582053267	/nfs/dbraw/zinc/05/32/67/582053267.db2.gz	GFOCJHLKAVNYBG-NSHDSACASA-N	-1	0	267.329	0.200	20	30		CCEDRM
CC(C)(C#N)CS(=O)(=O)[N-]C(=O)[C@@H]1CCSC1	ZINC000776138055	582053575	/nfs/dbraw/zinc/05/35/75/582053575.db2.gz	DTSQQGCTQFJKCE-MRVPVSSYSA-N	-1	0	276.383	0.735	20	30		CCEDRM
C#Cc1ccc(C(=O)N[C@@H](CNC(=O)[O-])C2CC2)nc1	ZINC000738468530	582054230	/nfs/dbraw/zinc/05/42/30/582054230.db2.gz	XSPUNHSIYORIBB-LBPRGKRZSA-N	-1	0	273.292	0.839	20	30		CCEDRM
C#CCSCCNC(=O)[C@H](CCC)NC(=O)[O-]	ZINC000738470908	582054236	/nfs/dbraw/zinc/05/42/36/582054236.db2.gz	UAIOHMZBFUEBRY-VIFPVBQESA-N	-1	0	258.343	0.905	20	30		CCEDRM
COCC(C)(C)C(=O)[N-]S(=O)(=O)CC(C)(C)C#N	ZINC000776146151	582054563	/nfs/dbraw/zinc/05/45/63/582054563.db2.gz	KIWWYYFGRJOKLM-UHFFFAOYSA-N	-1	0	276.358	0.655	20	30		CCEDRM
COCCNC(=O)C(C#N)=C([O-])c1ncccc1C	ZINC000750683170	582056272	/nfs/dbraw/zinc/05/62/72/582056272.db2.gz	AFAVTRKXNSRWLR-SNVBAGLBSA-N	-1	0	261.281	0.475	20	30		CCEDRM
C[C@H](C#N)CN(C)C(=O)N[C@@H](CNC(=O)[O-])C1CC1	ZINC000738596229	582064557	/nfs/dbraw/zinc/06/45/57/582064557.db2.gz	HHPSAVSRCICBIV-SCZZXKLOSA-N	-1	0	268.317	0.834	20	30		CCEDRM
C[C@H](C#N)CNC(=O)[C@@H]1[C@@H](C)OC(C)(C)N1C(=O)[O-]	ZINC000738597926	582065157	/nfs/dbraw/zinc/06/51/57/582065157.db2.gz	WEBAHPINPFTONK-HLTSFMKQSA-N	-1	0	269.301	0.766	20	30		CCEDRM
Cc1ccc(S(=O)(=O)N(CC#N)CC(=O)[O-])s1	ZINC000738652271	582068552	/nfs/dbraw/zinc/06/85/52/582068552.db2.gz	IVNFZDJNWNOTGN-UHFFFAOYSA-N	-1	0	274.323	0.655	20	30		CCEDRM
CC(C)S(=O)(=O)NN=C1CCC[C@H]1CNC(=O)[O-]	ZINC000738868477	582085153	/nfs/dbraw/zinc/08/51/53/582085153.db2.gz	AJALVBHSKXRSPD-QMMMGPOBSA-N	-1	0	277.346	0.738	20	30		CCEDRM
C=CCNC(=O)C(C#N)=C([O-])c1cccc(OC)n1	ZINC000752161136	582102047	/nfs/dbraw/zinc/10/20/47/582102047.db2.gz	QAIBDVCZAJQFKX-SECBINFHSA-N	-1	0	259.265	0.715	20	30		CCEDRM
C#CCCCNC(=O)N1CCO[C@@H]([C@@H](C)NC(=O)[O-])C1	ZINC000823444972	612981491	/nfs/dbraw/zinc/98/14/91/612981491.db2.gz	SANBGINFZIJAQA-GHMZBOCLSA-N	-1	0	283.328	0.466	20	30		CCEDRM
CCS(=O)(CC)=NS(=O)(=O)[N-][C@@H](C#N)C(C)C	ZINC000903114707	615357920	/nfs/dbraw/zinc/35/79/20/615357920.db2.gz	GBCDYKZZPWCCGL-VIFPVBQESA-N	-1	0	281.403	0.877	20	30		CCEDRM
Cc1cc(NC(=O)COC(=O)[C@](C)(C#N)CC(=O)[O-])no1	ZINC000821013567	597623090	/nfs/dbraw/zinc/62/30/90/597623090.db2.gz	AYDIOHRRLKJWPL-LBPRGKRZSA-N	-1	0	295.251	0.469	20	30		CCEDRM
C[C@](C#N)(CC(=O)[O-])C(=O)NC[C@H](O)c1ccccc1	ZINC000819834409	597630094	/nfs/dbraw/zinc/63/00/94/597630094.db2.gz	MYJOAACYVAHIDL-SMDDNHRTSA-N	-1	0	276.292	0.841	20	30		CCEDRM
C[C@@](C#N)(CC(=O)[O-])C(=O)NCc1cn2ccccc2n1	ZINC000819848370	597630101	/nfs/dbraw/zinc/63/01/01/597630101.db2.gz	RWONXWZRKYKPRR-AWEZNQCLSA-N	-1	0	286.291	0.955	20	30		CCEDRM
C[C@H](Cn1ccnc1)NC(=O)[C@](C)(C#N)CC(=O)[O-]	ZINC000820107563	597633463	/nfs/dbraw/zinc/63/34/63/597633463.db2.gz	MYRGJVXKDIRWHA-SKDRFNHKSA-N	-1	0	264.285	0.392	20	30		CCEDRM
C[C@@H](Cn1cccn1)NC(=O)[C@@](C)(C#N)CC(=O)[O-]	ZINC000820106896	597633777	/nfs/dbraw/zinc/63/37/77/597633777.db2.gz	BSGPUTPXHWPDHA-JOYOIKCWSA-N	-1	0	264.285	0.392	20	30		CCEDRM
C[C@](C#N)(CC(=O)[O-])C(=O)N1CCN(CC2CC2)CC1	ZINC000819822039	597636331	/nfs/dbraw/zinc/63/63/31/597636331.db2.gz	LPPGVLANRQIOMA-CQSZACIVSA-N	-1	0	279.340	0.545	20	30		CCEDRM
Cc1nccn1CCCNC(=O)[C@@](C)(C#N)CC(=O)[O-]	ZINC000821197173	597636983	/nfs/dbraw/zinc/63/69/83/597636983.db2.gz	ZQOKODOLRDGBEE-CYBMUJFWSA-N	-1	0	278.312	0.702	20	30		CCEDRM
C[C@@](C#N)(CC(=O)[O-])C(=O)N[C@H]1CCc2[nH]cnc2C1	ZINC000819832905	597657906	/nfs/dbraw/zinc/65/79/06/597657906.db2.gz	DKOKUXINVAPEAX-SDBXPKJASA-N	-1	0	276.296	0.388	20	30		CCEDRM
N#Cc1ccc([C@H](O)C(=O)NCCCC(=O)[O-])cc1	ZINC000821330279	597668697	/nfs/dbraw/zinc/66/86/97/597668697.db2.gz	YWBBVIWWJOLCMI-LBPRGKRZSA-N	-1	0	262.265	0.573	20	30		CCEDRM
N#Cc1ccc([C@@H](O)C(=O)N2CCC[C@H]2C(=O)[O-])cc1	ZINC000821330224	597669898	/nfs/dbraw/zinc/66/98/98/597669898.db2.gz	WXISFIBVPFYPFS-NWDGAFQWSA-N	-1	0	274.276	0.667	20	30		CCEDRM
Cc1nn(C)c2ncc(C=NNCCC(=O)[O-])cc12	ZINC000821209496	597742610	/nfs/dbraw/zinc/74/26/10/597742610.db2.gz	XBIYWCILJCDHBP-UHFFFAOYSA-N	-1	0	261.285	0.675	20	30		CCEDRM
O=C([O-])CNC(=O)CON=Cc1cccc(F)c1	ZINC000821531926	597760746	/nfs/dbraw/zinc/76/07/46/597760746.db2.gz	DJIQJANCJQWOKG-UHFFFAOYSA-N	-1	0	254.217	0.377	20	30		CCEDRM
N#Cc1ccc(CN2CCO[C@@H](C(=O)[O-])C2)s1	ZINC000821329918	598125028	/nfs/dbraw/zinc/12/50/28/598125028.db2.gz	OCYVPMSXNUYKGS-SNVBAGLBSA-N	-1	0	252.295	0.905	20	30		CCEDRM
Cc1cc(NC(=O)[C@](C)(C#N)CC(=O)[O-])n(C)n1	ZINC000821008285	598223856	/nfs/dbraw/zinc/22/38/56/598223856.db2.gz	AGNWOTWKHDASMT-NSHDSACASA-N	-1	0	250.258	0.672	20	30		CCEDRM
C[C@](C#N)(CC(=O)[O-])C(=O)NCC(=O)Nc1cccnc1	ZINC000819833439	598226042	/nfs/dbraw/zinc/22/60/42/598226042.db2.gz	HAOWPAYDQNREQX-CYBMUJFWSA-N	-1	0	290.279	0.141	20	30		CCEDRM
C[C@](C#N)(CC(=O)[O-])C(=O)OCC(=O)N1CCCC1	ZINC000819865348	598226742	/nfs/dbraw/zinc/22/67/42/598226742.db2.gz	KOGLRBAJPFUYMO-GFCCVEGCSA-N	-1	0	268.269	0.157	20	30		CCEDRM
Cc1nn(C)cc1[C@@H](C)NC(=O)[C@@](C)(C#N)CC(=O)[O-]	ZINC000821209370	598227613	/nfs/dbraw/zinc/22/76/13/598227613.db2.gz	UUBNPGMEBMKOKZ-AMIZOPFISA-N	-1	0	278.312	0.910	20	30		CCEDRM
C[C@](C#N)(CC(=O)[O-])C(=O)NCCCNC(=O)C1CCC1	ZINC000819835490	598229453	/nfs/dbraw/zinc/22/94/53/598229453.db2.gz	VJXXPUIYTBXHIM-CQSZACIVSA-N	-1	0	295.339	0.414	20	30		CCEDRM
N#CCN(CC(=O)[O-])CC(=O)NCc1ccc(F)cc1	ZINC000833067871	601004541	/nfs/dbraw/zinc/00/45/41/601004541.db2.gz	ZMRGPIXLAOKOMA-UHFFFAOYSA-N	-1	0	279.271	0.352	20	30		CCEDRM
C#CCO[C@@H](C)C(=O)NC[C@@H](CC(C)C)C(=O)[O-]	ZINC000909292469	612996171	/nfs/dbraw/zinc/99/61/71/612996171.db2.gz	VQFAFZVZTCEPHE-WDEREUQCSA-N	-1	0	255.314	0.888	20	30		CCEDRM
C#CCO[C@H](C)C(=O)N[C@H](Cc1ccccc1)C(=O)[O-]	ZINC000908583639	613003279	/nfs/dbraw/zinc/00/32/79/613003279.db2.gz	SQRXYKBIULTKEO-DGCLKSJQSA-N	-1	0	275.304	0.837	20	30		CCEDRM
N#Cc1cc([N+](=O)[O-])ccc1N1CCO[C@H](C(=O)[O-])C1	ZINC000043703311	599959462	/nfs/dbraw/zinc/95/94/62/599959462.db2.gz	ZFBUUBMMCDGHJQ-NSHDSACASA-N	-1	0	277.236	0.756	20	30		CCEDRM
N#Cc1cccc(CN2CCNC(=O)[C@H]2CC(=O)[O-])c1	ZINC000071245022	599982270	/nfs/dbraw/zinc/98/22/70/599982270.db2.gz	MHIFCHKMUJHLLB-GFCCVEGCSA-N	-1	0	273.292	0.333	20	30		CCEDRM
N#Cc1ccccc1S(=O)(=O)N1CCO[C@@H](C(=O)[O-])C1	ZINC000043703070	599984658	/nfs/dbraw/zinc/98/46/58/599984658.db2.gz	BSVZLJLARRRCCC-SNVBAGLBSA-N	-1	0	296.304	0.032	20	30		CCEDRM
N#Cc1cccc(CNC(=O)N2CCO[C@H](C(=O)[O-])C2)c1	ZINC000051668277	600034388	/nfs/dbraw/zinc/03/43/88/600034388.db2.gz	MKCAQTGUSRTKHP-LBPRGKRZSA-N	-1	0	289.291	0.553	20	30		CCEDRM
C#CCNC(=O)N1CCC[C@@H]([C@H](C)NC(=O)[O-])C1	ZINC000823456087	612946451	/nfs/dbraw/zinc/94/64/51/612946451.db2.gz	JQTPVASEOTZBAE-VHSXEESVSA-N	-1	0	253.302	0.697	20	30		CCEDRM
N#Cc1cccc(NC(=O)CN2C[C@H](O)C[C@H]2C(=O)[O-])c1	ZINC000229086373	600137975	/nfs/dbraw/zinc/13/79/75/600137975.db2.gz	KBVXQGPFZCFFGG-NEPJUHHUSA-N	-1	0	289.291	0.017	20	30		CCEDRM
Cc1n[nH]c(C(=O)NC2CC3(CC(NCC#N)C3)C2)c1[O-]	ZINC000963691657	649913247	/nfs/dbraw/zinc/91/32/47/649913247.db2.gz	JGPBCQFYGAFOMW-UHFFFAOYSA-N	-1	0	289.339	0.578	20	30		CCEDRM
C#CCSCCNS(=O)(=O)c1c[nH]c(C(=O)[O-])c1	ZINC000231938123	600755826	/nfs/dbraw/zinc/75/58/26/600755826.db2.gz	CCJJQFNBSDEPOP-UHFFFAOYSA-N	-1	0	288.350	0.358	20	30		CCEDRM
C#CCCCNS(=O)(=O)c1ccc(OCC(=O)[O-])cc1	ZINC000229817469	600785466	/nfs/dbraw/zinc/78/54/66/600785466.db2.gz	YLDYDFMNUXISAK-UHFFFAOYSA-N	-1	0	297.332	0.842	20	30		CCEDRM
C#CCSCC(=O)NCCc1n[n-]c(=S)o1	ZINC000907461527	613012150	/nfs/dbraw/zinc/01/21/50/613012150.db2.gz	MCDPSYUPTJSLEM-UHFFFAOYSA-N	-1	0	257.340	0.383	20	30		CCEDRM
CCCCC[C@@H](O)CC(=O)N(CC#N)CC(=O)[O-]	ZINC000829348951	600963252	/nfs/dbraw/zinc/96/32/52/600963252.db2.gz	UEZUCDGNDJIDRA-SNVBAGLBSA-N	-1	0	256.302	0.754	20	30		CCEDRM
N#CCN(CC(=O)[O-])[C@H]1CCN(CC(F)(F)F)C1=O	ZINC000833065912	601002779	/nfs/dbraw/zinc/00/27/79/601002779.db2.gz	KJRMMKFWRUYDOX-ZETCQYMHSA-N	-1	0	279.218	0.060	20	30		CCEDRM
COc1ccc(C)cc1NC(=O)CN(CC#N)CC(=O)[O-]	ZINC000832257794	601005125	/nfs/dbraw/zinc/00/51/25/601005125.db2.gz	CRWGGOKSBATMBZ-UHFFFAOYSA-N	-1	0	291.307	0.852	20	30		CCEDRM
N#CCN(CC(=O)[O-])CC(=O)NCc1ccccc1F	ZINC000833067101	601005571	/nfs/dbraw/zinc/00/55/71/601005571.db2.gz	PFPQZVYQKBQQNB-UHFFFAOYSA-N	-1	0	279.271	0.352	20	30		CCEDRM
C[C@H](OC(=O)C(C)(C)C#N)C(=O)N1CCC(C(=O)[O-])CC1	ZINC000827802150	601111473	/nfs/dbraw/zinc/11/14/73/601111473.db2.gz	DLFJYIDMYMIJRO-VIFPVBQESA-N	-1	0	296.323	0.791	20	30		CCEDRM
C#CCSCC(=O)[N-]S(=O)(=O)CC(C)(C)C#N	ZINC000892932677	613013082	/nfs/dbraw/zinc/01/30/82/613013082.db2.gz	KTSMLJPHTKAHLD-UHFFFAOYSA-N	-1	0	274.367	0.349	20	30		CCEDRM
C[C@@H]1CCCN1C(=O)CCN(CC#N)CC(=O)[O-]	ZINC000828271657	601226611	/nfs/dbraw/zinc/22/66/11/601226611.db2.gz	JIYWJSSQMZUIMK-SNVBAGLBSA-N	-1	0	253.302	0.298	20	30		CCEDRM
N#Cc1ccc(C(=O)N2CCNC(=O)[C@@H]2CC(=O)[O-])s1	ZINC000833070558	601279498	/nfs/dbraw/zinc/27/94/98/601279498.db2.gz	MNCXOROJVFTVRT-QMMMGPOBSA-N	-1	0	293.304	0.035	20	30		CCEDRM
COCCN(CC(=O)[O-])C(=O)C#Cc1ccccc1	ZINC000049606239	601285861	/nfs/dbraw/zinc/28/58/61/601285861.db2.gz	DVLAZVXBVSPYTK-UHFFFAOYSA-N	-1	0	261.277	0.598	20	30		CCEDRM
N#Cc1c[nH]c(C(=O)N2CCSC[C@@H]2CC(=O)[O-])c1	ZINC000833068380	601451908	/nfs/dbraw/zinc/45/19/08/601451908.db2.gz	VIPDEOWKLNCKTG-VIFPVBQESA-N	-1	0	279.321	0.919	20	30		CCEDRM
N#Cc1cc(C(=O)[O-])cn(CC[C@@H]2CCOC2=O)c1=O	ZINC000833069200	601545945	/nfs/dbraw/zinc/54/59/45/601545945.db2.gz	XCMASSRBKLHNTH-MRVPVSSYSA-N	-1	0	276.248	0.371	20	30		CCEDRM
N#Cc1ccc(C(=O)N2CC[C@@](F)(C(=O)[O-])C2)cn1	ZINC000833071297	601652265	/nfs/dbraw/zinc/65/22/65/601652265.db2.gz	ZUFDITCBAGPEAK-LBPRGKRZSA-N	-1	0	263.228	0.592	20	30		CCEDRM
O=C([O-])C[C@@H]1CN(C(=O)C#Cc2ccccc2)CCO1	ZINC000091293517	601740107	/nfs/dbraw/zinc/74/01/07/601740107.db2.gz	DSXIXWIXQUZNHM-CYBMUJFWSA-N	-1	0	273.288	0.740	20	30		CCEDRM
CC(C)N(CCC#N)S(=O)(=O)C[C@@H](C)C(=O)[O-]	ZINC000827531815	601787003	/nfs/dbraw/zinc/78/70/03/601787003.db2.gz	DOIKMAUUZUBQQO-SECBINFHSA-N	-1	0	262.331	0.661	20	30		CCEDRM
O=C([O-])c1cc(C=NNC(=S)NC[C@H]2CCCO2)c[nH]1	ZINC000814726701	601796123	/nfs/dbraw/zinc/79/61/23/601796123.db2.gz	HKWPGSAKQBLFNT-SECBINFHSA-N	-1	0	296.352	0.690	20	30		CCEDRM
N#Cc1ccc([C@H](O)CN2CCO[C@@H](C(=O)[O-])C2)cc1	ZINC000819095841	602016769	/nfs/dbraw/zinc/01/67/69/602016769.db2.gz	MUEMAEKSRDSEJK-CHWSQXEVSA-N	-1	0	276.292	0.377	20	30		CCEDRM
COc1cc(C=NN2CC(=O)NC2=O)ccc1C#N	ZINC000799475215	617179089	/nfs/dbraw/zinc/17/90/89/617179089.db2.gz	RIKIKMQSNYESLD-UHFFFAOYSA-N	-1	0	258.237	0.453	20	30		CCEDRM
O=C([O-])[C@H]1CCCN1C(=O)C#Cc1ccc2c(c1)OCO2	ZINC000819225056	602314142	/nfs/dbraw/zinc/31/41/42/602314142.db2.gz	DVRBHWQURANDED-LLVKDONJSA-N	-1	0	287.271	0.842	20	30		CCEDRM
O=C([O-])[C@H]1CCN(C(=O)C#Cc2ccc3c(c2)OCO3)C1	ZINC000819244326	602341628	/nfs/dbraw/zinc/34/16/28/602341628.db2.gz	AJNHGTIHEFYHFA-NSHDSACASA-N	-1	0	287.271	0.700	20	30		CCEDRM
Cc1ccc(C)c(S(=O)(=O)NN=C2CN(C(=O)[O-])C2)c1	ZINC000740119106	602641729	/nfs/dbraw/zinc/64/17/29/602641729.db2.gz	KZCZYSMZSKNHTH-UHFFFAOYSA-N	-1	0	297.336	0.931	20	30		CCEDRM
N#CC1(NC(=O)C[C@H]2CCCN2C(=O)[O-])CCOCC1	ZINC000831070453	602946521	/nfs/dbraw/zinc/94/65/21/602946521.db2.gz	LGPPMKRAVGLPMB-SNVBAGLBSA-N	-1	0	281.312	0.708	20	30		CCEDRM
Cc1ccc(C#N)cc1S(=O)(=O)NCCNC(=O)[O-]	ZINC000740104664	603237892	/nfs/dbraw/zinc/23/78/92/603237892.db2.gz	BQZOJWQHYSYZIM-UHFFFAOYSA-N	-1	0	283.309	0.413	20	30		CCEDRM
C[C@@H](CC#N)OC(=O)CN(C[C@H]1CCCO1)C(=O)[O-]	ZINC000824544531	603448033	/nfs/dbraw/zinc/44/80/33/603448033.db2.gz	RPOMXFUWXHHAAI-VHSXEESVSA-N	-1	0	270.285	0.991	20	30		CCEDRM
C[C@@H]1CN(C(=O)[O-])CCN1C(=O)c1cc(C#N)cn1C	ZINC000826026895	603515479	/nfs/dbraw/zinc/51/54/79/603515479.db2.gz	PDBWVUVHESSKCL-SECBINFHSA-N	-1	0	276.296	0.721	20	30		CCEDRM
Cn1cc(C#N)cc1C(=O)N1CC[C@H](CNC(=O)[O-])C1	ZINC000830984539	603532827	/nfs/dbraw/zinc/53/28/27/603532827.db2.gz	GZZZBFMCNNGEJA-SECBINFHSA-N	-1	0	276.296	0.626	20	30		CCEDRM
N#Cc1cccc(CNC(=O)[C@@H]2C[C@H](O)CN2C(=O)[O-])c1	ZINC000831146435	603575632	/nfs/dbraw/zinc/57/56/32/603575632.db2.gz	PBUBYMCZRFYAKY-RYUDHWBXSA-N	-1	0	289.291	0.288	20	30		CCEDRM
Cc1cc(C(=O)N2CCN(C(=O)[O-])C[C@H]2C#N)no1	ZINC000829930594	603596366	/nfs/dbraw/zinc/59/63/66/603596366.db2.gz	YLWLZUPSHNVJAM-MRVPVSSYSA-N	-1	0	264.241	0.311	20	30		CCEDRM
N#C[C@H](OC(=O)CN(C[C@@H]1CCCO1)C(=O)[O-])C1CC1	ZINC000831070287	603616056	/nfs/dbraw/zinc/61/60/56/603616056.db2.gz	IIEMJMFMGLGJMV-QWRGUYRKSA-N	-1	0	282.296	0.991	20	30		CCEDRM
C=CCOCC(=O)O[C@@H]1CN(C(=O)[O-])CCC1=O	ZINC000823516402	603810966	/nfs/dbraw/zinc/81/09/66/603810966.db2.gz	JHQGZMXUYQPLRP-SECBINFHSA-N	-1	0	257.242	0.054	20	30		CCEDRM
CC(C)(CCC(=O)N1CCOC[C@H]1C#N)NC(=O)[O-]	ZINC000823885609	603922977	/nfs/dbraw/zinc/92/29/77/603922977.db2.gz	IUBOVYJUXQMHPM-SECBINFHSA-N	-1	0	269.301	0.564	20	30		CCEDRM
Cc1[nH]nc(C(=O)N2CCN(C(=O)[O-])C[C@@H]2C#N)c1C	ZINC000829832891	604074538	/nfs/dbraw/zinc/07/45/38/604074538.db2.gz	BLYSUJVYTIKYPH-VIFPVBQESA-N	-1	0	277.284	0.355	20	30		CCEDRM
N#C[C@@H]1CN(C(=O)[O-])CCN1C(=O)c1cc(Cl)c[nH]1	ZINC000831087721	604078397	/nfs/dbraw/zinc/07/83/97/604078397.db2.gz	QGZKDEGLQYATOX-MRVPVSSYSA-N	-1	0	282.687	0.996	20	30		CCEDRM
C#CCNC(=O)CNc1cccc2c1CCN(C(=O)[O-])C2	ZINC000823456647	604215792	/nfs/dbraw/zinc/21/57/92/604215792.db2.gz	ODOCSGADBRTRGJ-UHFFFAOYSA-N	-1	0	287.319	0.884	20	30		CCEDRM
Cn1cc(C#N)c(NC(=O)N2CCC[C@H]2CC(=O)[O-])n1	ZINC000833041058	604635879	/nfs/dbraw/zinc/63/58/79/604635879.db2.gz	WYPVSJRKWYZFSX-VIFPVBQESA-N	-1	0	277.284	0.763	20	30		CCEDRM
N#Cc1cccc(CNC(=O)[C@H]2CN(C(=O)[O-])CCO2)c1	ZINC000831146069	604694237	/nfs/dbraw/zinc/69/42/37/604694237.db2.gz	HVVUJYCKHIKZDL-GFCCVEGCSA-N	-1	0	289.291	0.553	20	30		CCEDRM
C#CCCCCNS(=O)(=O)c1ccc(C(=O)[O-])nc1	ZINC000833361906	604697477	/nfs/dbraw/zinc/69/74/77/604697477.db2.gz	REZBXZTYAIBROY-UHFFFAOYSA-N	-1	0	282.321	0.862	20	30		CCEDRM
N#CCCN(CC1CC1)C(=O)c1cnc(C(=O)[O-])cn1	ZINC000833759987	604786497	/nfs/dbraw/zinc/78/64/97/604786497.db2.gz	DCSXZYIJMMCDSS-UHFFFAOYSA-N	-1	0	274.280	0.941	20	30		CCEDRM
C[C@@H](CC#N)NC(=O)C[C@@H]1CN(C(=O)[O-])CCO1	ZINC000824545366	604788864	/nfs/dbraw/zinc/78/88/64/604788864.db2.gz	WRQFJUIKTNLVTK-DTWKUNHWSA-N	-1	0	255.274	0.174	20	30		CCEDRM
N#C[C@H]1CN(C(=O)[O-])CCN1C(=O)[C@@H]1CCSC1	ZINC000831076665	604868235	/nfs/dbraw/zinc/86/82/35/604868235.db2.gz	QRJUEJMRIHTQLI-BDAKNGLRSA-N	-1	0	269.326	0.454	20	30		CCEDRM
C[C@@H](CS(=O)(=O)Cc1ccnc(C#N)c1)C(=O)[O-]	ZINC000086110465	604870552	/nfs/dbraw/zinc/87/05/52/604870552.db2.gz	SPQWKMVOWQOWMP-QMMMGPOBSA-N	-1	0	268.294	0.589	20	30		CCEDRM
C[C@@H](C(=O)[O-])n1cccc1C=NN[C@@H]1CCS(=O)(=O)C1	ZINC000833406051	605038171	/nfs/dbraw/zinc/03/81/71/605038171.db2.gz	KWFJCWKGQYQZOJ-VHSXEESVSA-N	-1	0	299.352	0.244	20	30		CCEDRM
C#CCNC(=S)Nc1ccc(C(=O)NCC(=O)[O-])cc1	ZINC000833365378	612954003	/nfs/dbraw/zinc/95/40/03/612954003.db2.gz	HILDQNMXMKETFL-UHFFFAOYSA-N	-1	0	291.332	0.421	20	30		CCEDRM
C[C@@H](C#N)COC(=O)C[C@H]1CN(C(=O)[O-])CCO1	ZINC000823646460	605285130	/nfs/dbraw/zinc/28/51/30/605285130.db2.gz	CFYPULDTSTWHRJ-IUCAKERBSA-N	-1	0	256.258	0.458	20	30		CCEDRM
CC(C)(C#N)CCN1C(=O)N[C@]2(CCN(C(=O)[O-])C2)C1=O	ZINC000823738536	605350248	/nfs/dbraw/zinc/35/02/48/605350248.db2.gz	XWYBEUNKDWEXHJ-ZDUSSCGKSA-N	-1	0	294.311	0.601	20	30		CCEDRM
C#CCOCCN[C@@H](C(=O)OC)c1cccc(C(=O)[O-])c1	ZINC000833366360	605362579	/nfs/dbraw/zinc/36/25/79/605362579.db2.gz	SWKAASYNPJAABP-CYBMUJFWSA-N	-1	0	291.303	0.838	20	30		CCEDRM
C[C@H](OC(=O)c1c[nH]c(C#N)c1)c1cn(CC(=O)[O-])nn1	ZINC000833532848	605499082	/nfs/dbraw/zinc/49/90/82/605499082.db2.gz	KONURWJJKNRZQP-ZETCQYMHSA-N	-1	0	289.251	0.480	20	30		CCEDRM
N#CC1(NC(=O)CN2CCC(NC(=O)[O-])CC2)CCC1	ZINC000831070626	605670878	/nfs/dbraw/zinc/67/08/78/605670878.db2.gz	PEYDBCCDWXVEJY-UHFFFAOYSA-N	-1	0	280.328	0.281	20	30		CCEDRM
C[C@@H]1CN(C(=O)[C@H](O)c2ccc(C#N)cc2)C[C@@H]1C(=O)[O-]	ZINC000833621284	605757801	/nfs/dbraw/zinc/75/78/01/605757801.db2.gz	ZJDVIJPHGDLZJC-JIMOISOXSA-N	-1	0	288.303	0.771	20	30		CCEDRM
N#CC1(COC(=O)CCCNC(=O)[O-])CCOCC1	ZINC000833964734	605781225	/nfs/dbraw/zinc/78/12/25/605781225.db2.gz	ODMOZWYDFCLPIK-UHFFFAOYSA-N	-1	0	270.285	0.898	20	30		CCEDRM
N#C[C@H]1CSCCN1C(=O)CCCCNC(=O)[O-]	ZINC000833966205	605931272	/nfs/dbraw/zinc/93/12/72/605931272.db2.gz	IGUZQGLRYTWKNH-VIFPVBQESA-N	-1	0	271.342	0.892	20	30		CCEDRM
N#C[C@@H]1CSCCN1C(=O)CN(C(=O)[O-])C1CC1	ZINC000833965700	605972840	/nfs/dbraw/zinc/97/28/40/605972840.db2.gz	DIXZBGIBPFCMDB-SECBINFHSA-N	-1	0	269.326	0.596	20	30		CCEDRM
N#CC1(COC(=O)[C@@H]2COCCN2C(=O)[O-])CC1	ZINC000833964274	605999989	/nfs/dbraw/zinc/99/99/89/605999989.db2.gz	DLLGVBFYZPFFAI-QMMMGPOBSA-N	-1	0	254.242	0.212	20	30		CCEDRM
N#CC1(COC(=O)CO[C@@H]2CCCN(C(=O)[O-])C2)CC1	ZINC000833964428	606001228	/nfs/dbraw/zinc/00/12/28/606001228.db2.gz	GVINUELZNJBMRR-SNVBAGLBSA-N	-1	0	282.296	0.992	20	30		CCEDRM
N#CC1(NC(=O)[C@@H](CC(F)F)NC(=O)[O-])CCC1	ZINC000833965080	606023138	/nfs/dbraw/zinc/02/31/38/606023138.db2.gz	YTICSHWKMOGSRZ-ZCFIWIBFSA-N	-1	0	261.228	0.840	20	30		CCEDRM
N#C[C@H](NC(=O)c1cnc(NC(=O)[O-])cn1)C1CC1	ZINC000833960848	606039077	/nfs/dbraw/zinc/03/90/77/606039077.db2.gz	LSQUTLIHZBFMRA-ZETCQYMHSA-N	-1	0	261.241	0.598	20	30		CCEDRM
N#Cc1nc(NC(=O)[C@H]2CC23CCCC3)[n-]c1-c1nn[nH]n1	ZINC000822814183	606158919	/nfs/dbraw/zinc/15/89/19/606158919.db2.gz	BXWXBJOCBKMZGY-SSDOTTSWSA-N	-1	0	298.310	0.980	20	30		CCEDRM
C#CCCS(=O)(=O)N[C@@H](C(C)C)[C@H](O)C(F)(F)F	ZINC000867228995	613054549	/nfs/dbraw/zinc/05/45/49/613054549.db2.gz	DOFZAKLKTGJZAN-IUCAKERBSA-N	-1	0	287.303	0.877	20	30		CCEDRM
C#CC[C@H](NC(=O)C1(CC=C)CCOCC1)C(=O)[O-]	ZINC000910046564	613067400	/nfs/dbraw/zinc/06/74/00/613067400.db2.gz	SFEZVBBXLKXQBF-NSHDSACASA-N	-1	0	265.309	0.952	20	30		CCEDRM
C#CC[C@H](NC(=O)COc1c(C)nn(C)c1C)C(=O)[O-]	ZINC000910054786	613067821	/nfs/dbraw/zinc/06/78/21/613067821.db2.gz	SOXYXZXQZHCCFY-JTQLQIEISA-N	-1	0	279.296	0.008	20	30		CCEDRM
CCn1ccnc1CN=Nc1oc(C)nc1-c1nnn[n-]1	ZINC000825804955	607886788	/nfs/dbraw/zinc/88/67/88/607886788.db2.gz	LTFXKRLUFJGDTN-UHFFFAOYSA-N	-1	0	287.287	0.826	20	30		CCEDRM
Cc1nc(-c2nnn[n-]2)c(N=NCC2CCOCC2)o1	ZINC000826322990	607886982	/nfs/dbraw/zinc/88/69/82/607886982.db2.gz	KZPIKXJAUCWPES-UHFFFAOYSA-N	-1	0	277.288	0.987	20	30		CCEDRM
C#CCC(C)(C)C(=O)[N-]S(=O)(=O)c1cnn(C)c1	ZINC000810521260	612965945	/nfs/dbraw/zinc/96/59/45/612965945.db2.gz	GXSPVFIJDGNJAN-UHFFFAOYSA-N	-1	0	269.326	0.275	20	30		CCEDRM
CC(C)(C)CS(=O)(=O)[N-]C(=O)Cc1ccc(C#N)nc1	ZINC000860541254	613918875	/nfs/dbraw/zinc/91/88/75/613918875.db2.gz	HFXQMZRDZHHATG-UHFFFAOYSA-N	-1	0	295.364	0.988	20	30		CCEDRM
CC(C)[C@@H](C#N)NC(=O)C[C@@H]1CN(C(=O)[O-])CCO1	ZINC000824055312	614072205	/nfs/dbraw/zinc/07/22/05/614072205.db2.gz	GDGGXSMAXIVMLM-NXEZZACHSA-N	-1	0	269.301	0.420	20	30		CCEDRM
CC(C)CS(=O)(=O)[N-]C(=O)c1ccc(C#N)n1C	ZINC000835117219	614178498	/nfs/dbraw/zinc/17/84/98/614178498.db2.gz	VYUXYRFIJKFFGU-UHFFFAOYSA-N	-1	0	269.326	0.612	20	30		CCEDRM
C#CCCCCC(=O)[N-]S(=O)(=O)C(COC)COC	ZINC000851501927	612975620	/nfs/dbraw/zinc/97/56/20/612975620.db2.gz	FIFKVHCMEDVHTR-UHFFFAOYSA-N	-1	0	291.369	0.287	20	30		CCEDRM
C#CCCCCCC(=O)[N-]S(=O)(=O)c1c(C)onc1N	ZINC000810827377	612976190	/nfs/dbraw/zinc/97/61/90/612976190.db2.gz	NPNLHIPAAJXBOZ-UHFFFAOYSA-N	-1	0	299.352	0.954	20	30		CCEDRM
C#CCCCCCC(=O)N[C@@]1(C(=O)[O-])CCOC1	ZINC000833361902	612976354	/nfs/dbraw/zinc/97/63/54/612976354.db2.gz	RAFRWOSXJHVDTP-ZDUSSCGKSA-N	-1	0	253.298	0.930	20	30		CCEDRM
CSC[C@@H](NC(=O)C1(C#N)CC(C)C1)C(=O)[O-]	ZINC000923102961	617248958	/nfs/dbraw/zinc/24/89/58/617248958.db2.gz	AJKQYMSLMGODCQ-JKDSDDBFSA-N	-1	0	256.327	0.859	20	30		CCEDRM
COc1ccc(F)c(OC)c1C(=O)N[C@H]1CCN(O)C1=O	ZINC000820127240	617264933	/nfs/dbraw/zinc/26/49/33/617264933.db2.gz	KAKUGPIBLGYAEF-QMMMGPOBSA-N	-1	0	298.270	0.563	20	30		CCEDRM
CSc1[n-]c(=O)c(C(=O)[N-]OCC[NH+](C)C)cc1C#N	ZINC000854947318	617283464	/nfs/dbraw/zinc/28/34/64/617283464.db2.gz	QIQWAOZIICRDRC-UHFFFAOYSA-N	-1	0	296.352	0.604	20	30		CCEDRM
CSc1nccnc1C([O-])=C(C#N)C(=O)NC1CC1	ZINC000892497436	617286605	/nfs/dbraw/zinc/28/66/05/617286605.db2.gz	ZPLQKLYIJFYVDN-QMMMGPOBSA-N	-1	0	276.321	0.800	20	30		CCEDRM
C[C@@H](C(=O)N(C)CCC#N)N1CC[C@@](F)(C(=O)[O-])C1	ZINC000825972212	617300555	/nfs/dbraw/zinc/30/05/55/617300555.db2.gz	MIZKMCLLVUHZBY-CABZTGNLSA-N	-1	0	271.292	0.246	20	30		CCEDRM
C#CCNC(=O)N1CCC[C@H]([C@H](C)NC(=O)[O-])C1	ZINC000823456085	612946489	/nfs/dbraw/zinc/94/64/89/612946489.db2.gz	JQTPVASEOTZBAE-UWVGGRQHSA-N	-1	0	253.302	0.697	20	30		CCEDRM
C#CCCCCNC(=O)C(C)(C)N1CCN(C(=O)[O-])CC1	ZINC000823441270	612977097	/nfs/dbraw/zinc/97/70/97/612977097.db2.gz	ZJROJQJLSFKWSP-UHFFFAOYSA-N	-1	0	295.383	0.980	20	30		CCEDRM
C#CCCCCNC(=O)C(=O)NC[C@@H](CC(C)C)C(=O)[O-]	ZINC000818657655	612977238	/nfs/dbraw/zinc/97/72/38/612977238.db2.gz	XFTIDIRZQYXIIE-GFCCVEGCSA-N	-1	0	296.367	0.769	20	30		CCEDRM
C#CCCCNC(=O)C(=O)Nc1ccc(F)cc1C(=O)[O-]	ZINC000833362293	612980995	/nfs/dbraw/zinc/98/09/95/612980995.db2.gz	KGVFGYQHQARVGD-UHFFFAOYSA-N	-1	0	292.266	0.992	20	30		CCEDRM
C#CCCCNC(=O)C(=O)Nc1ccc(C(=O)[O-])cc1F	ZINC000819700685	612981028	/nfs/dbraw/zinc/98/10/28/612981028.db2.gz	CSAUGSZTFAIEJI-UHFFFAOYSA-N	-1	0	292.266	0.992	20	30		CCEDRM
C#CCCCNC(=O)N[C@]1(C(=O)[O-])CCSC1	ZINC000909027299	612982233	/nfs/dbraw/zinc/98/22/33/612982233.db2.gz	HKEWJZNVZYSWFT-LLVKDONJSA-N	-1	0	256.327	0.659	20	30		CCEDRM
C#CCOCCNC(=O)NCC1(C(=O)[O-])CCC1	ZINC000851650794	612986892	/nfs/dbraw/zinc/98/68/92/612986892.db2.gz	KWLZUWRDBJWTTQ-UHFFFAOYSA-N	-1	0	254.286	0.190	20	30		CCEDRM
C#CCO[N-]C(=O)CN1C(=O)COc2ccc(Cl)cc21	ZINC000812781628	612992071	/nfs/dbraw/zinc/99/20/71/612992071.db2.gz	ATJPXSGELSONOH-UHFFFAOYSA-N	-1	0	294.694	0.746	20	30		CCEDRM
C#CCO[N-]C(=O)[C@@H]1CCCN(CC(F)(F)F)C1=O	ZINC000825136518	612992614	/nfs/dbraw/zinc/99/26/14/612992614.db2.gz	CICJZVBQOYKDMO-QMMMGPOBSA-N	-1	0	278.230	0.468	20	30		CCEDRM
C#CCO[N-]C(=O)[C@@H]1CCN1Cc1ccc(OC)cc1	ZINC000824483814	612992652	/nfs/dbraw/zinc/99/26/52/612992652.db2.gz	KZSFOTZNEGPREW-AWEZNQCLSA-N	-1	0	274.320	0.951	20	30		CCEDRM
C#CCO[N-]C(=O)[C@H]1CC(c2cccc(F)c2)=NO1	ZINC000812782989	612993058	/nfs/dbraw/zinc/99/30/58/612993058.db2.gz	TVIBVZPCBKPZJN-GFCCVEGCSA-N	-1	0	262.240	1.000	20	30		CCEDRM
C#CCO[N-]C(=O)[C@H]1Cc2ccccc2CN1C(C)=O	ZINC000855603953	612993317	/nfs/dbraw/zinc/99/33/17/612993317.db2.gz	WEHVRJQOQTXXDJ-CQSZACIVSA-N	-1	0	272.304	0.641	20	30		CCEDRM
C#CCO[C@@H](C)C(=O)N(CC(=O)[O-])C1CCCC1	ZINC000910061698	612994121	/nfs/dbraw/zinc/99/41/21/612994121.db2.gz	QZONATBHBTXKLT-JTQLQIEISA-N	-1	0	253.298	0.881	20	30		CCEDRM
C#CCO[C@@H](C)C(=O)NC[C@@H](Oc1ccccc1)C(=O)[O-]	ZINC000910484738	612996324	/nfs/dbraw/zinc/99/63/24/612996324.db2.gz	HMQJWZSVFSYAJW-WCQYABFASA-N	-1	0	291.303	0.673	20	30		CCEDRM
C#CCO[C@H](C)C(=O)[N-]S(=O)(=O)c1cccc(OC)c1	ZINC000835116671	613002067	/nfs/dbraw/zinc/00/20/67/613002067.db2.gz	GCJNKKYZMVVSFP-SNVBAGLBSA-N	-1	0	297.332	0.538	20	30		CCEDRM
C#CCOc1cccc(NC(=O)N[C@H](CO)C(=O)[O-])c1	ZINC000797744886	613007461	/nfs/dbraw/zinc/00/74/61/613007461.db2.gz	YCGZZWDKPGKGSC-LLVKDONJSA-N	-1	0	278.264	0.266	20	30		CCEDRM
C#CCCN1CCN(C(=O)C23CC(C(=O)[O-])(C2)C3)CC1	ZINC000911251589	613008996	/nfs/dbraw/zinc/00/89/96/613008996.db2.gz	BGYZAWDSVBJWEQ-UHFFFAOYSA-N	-1	0	276.336	0.409	20	30		CCEDRM
C#CC[C@@H](NC(=O)CCc1cscn1)C(=O)[O-]	ZINC000910054481	613039894	/nfs/dbraw/zinc/03/98/94/613039894.db2.gz	PEHOZWZJAKJLBS-SECBINFHSA-N	-1	0	252.295	0.668	20	30		CCEDRM
C#CC[C@@H](NC(=O)[C@@H]1CCc2cnc(C)n2C1)C(=O)[O-]	ZINC000910049575	613040766	/nfs/dbraw/zinc/04/07/66/613040766.db2.gz	XYFRKZJMEWNOTG-ZYHUDNBSSA-N	-1	0	275.308	0.347	20	30		CCEDRM
C#CC[C@@H](NC(=O)c1ccc(OC(F)F)nc1)C(=O)[O-]	ZINC000923090561	613042031	/nfs/dbraw/zinc/04/20/31/613042031.db2.gz	SBMWFVREKDKOGB-MRVPVSSYSA-N	-1	0	284.218	0.889	20	30		CCEDRM
C#CCCS(=O)(=O)[N-]C(=O)[C@@H]1C[C@H](C)O[C@@H]1C	ZINC000870331732	613053119	/nfs/dbraw/zinc/05/31/19/613053119.db2.gz	PDVFYXJJUOJHEX-IVZWLZJFSA-N	-1	0	259.327	0.269	20	30		CCEDRM
C#CCCS(=O)(=O)[N-]C(=O)c1cc(C(C)(C)C)n[nH]1	ZINC000810779661	613053372	/nfs/dbraw/zinc/05/33/72/613053372.db2.gz	WSGGHGNJEKJXNB-UHFFFAOYSA-N	-1	0	283.353	0.790	20	30		CCEDRM
C#CCCS(=O)(=O)[N-]C(=O)[C@H](CCC)OCC	ZINC000860722249	613053422	/nfs/dbraw/zinc/05/34/22/613053422.db2.gz	VPMDWVXUFPRQOR-JTQLQIEISA-N	-1	0	261.343	0.661	20	30		CCEDRM
C#CCCS(=O)(=O)[N-]C(=O)c1coc(OCC)n1	ZINC000810784774	613053829	/nfs/dbraw/zinc/05/38/29/613053829.db2.gz	OAZSUGWJWPIFQE-UHFFFAOYSA-N	-1	0	272.282	0.156	20	30		CCEDRM
C#CCC[C@@H](O)CNC(=O)c1ccc2oc(=O)nc-2[n-]1	ZINC000847160339	613058972	/nfs/dbraw/zinc/05/89/72/613058972.db2.gz	NOTHSIPJHKNMGN-MRVPVSSYSA-N	-1	0	275.264	0.433	20	30		CCEDRM
C#CCC[C@H](O)CNC(=O)c1cccc([N+](=O)[O-])c1[O-]	ZINC000799084687	613063759	/nfs/dbraw/zinc/06/37/59/613063759.db2.gz	DUJVRQDLKMMGOK-VIFPVBQESA-N	-1	0	278.264	0.805	20	30		CCEDRM
C#CCC[C@H](O)CNC(=O)c1n[n-]c2ccccc2c1=O	ZINC000799080782	613063887	/nfs/dbraw/zinc/06/38/87/613063887.db2.gz	AIPTWXHKCGMPKB-JTQLQIEISA-N	-1	0	285.303	0.840	20	30		CCEDRM
C#CC[C@H](NC(=O)CSc1nc(C)cc(C)n1)C(=O)[O-]	ZINC000910053611	613068012	/nfs/dbraw/zinc/06/80/12/613068012.db2.gz	WINMJTMTVFONJY-JTQLQIEISA-N	-1	0	293.348	0.778	20	30		CCEDRM
C#CC[C@H](NC(=O)Cc1ccc2c(c1)COC2)C(=O)[O-]	ZINC000910050144	613068341	/nfs/dbraw/zinc/06/83/41/613068341.db2.gz	GEKOBRXCCJXSPO-ZDUSSCGKSA-N	-1	0	273.288	0.852	20	30		CCEDRM
C#CC[C@H](NC(=O)[C@@H]1CCn2cncc2C1)C(=O)[O-]	ZINC000910048186	613069043	/nfs/dbraw/zinc/06/90/43/613069043.db2.gz	GLYJFSLHJLYTAO-KOLCDFICSA-N	-1	0	261.281	0.038	20	30		CCEDRM
C#CC[C@H](NC(=O)[C@@]1(O)CCCC(C)(C)C1)C(=O)[O-]	ZINC000910048118	613069255	/nfs/dbraw/zinc/06/92/55/613069255.db2.gz	DUWFAMKPMDCMCQ-IINYFYTJSA-N	-1	0	267.325	0.910	20	30		CCEDRM
C#CC[C@H](NC(=O)[C@H](C)Oc1cccc(CO)c1)C(=O)[O-]	ZINC000910048261	613069320	/nfs/dbraw/zinc/06/93/20/613069320.db2.gz	HNPOIYKRKDHSSA-GWCFXTLKSA-N	-1	0	291.303	0.539	20	30		CCEDRM
C#CC[C@H](NC(=O)[C@H]1CCn2cncc2C1)C(=O)[O-]	ZINC000910048188	613069720	/nfs/dbraw/zinc/06/97/20/613069720.db2.gz	GLYJFSLHJLYTAO-ONGXEEELSA-N	-1	0	261.281	0.038	20	30		CCEDRM
C#CCN(C)S(=O)(=O)c1cc(OC)ccc1O	ZINC000867176952	613079328	/nfs/dbraw/zinc/07/93/28/613079328.db2.gz	KUJNEZSPHAXOIC-UHFFFAOYSA-N	-1	0	255.295	0.655	20	30		CCEDRM
C#C[C@@H](NC(=O)Cn1[n-]cc2c(=O)ncnc1-2)C(C)(C)C	ZINC000807880282	613092901	/nfs/dbraw/zinc/09/29/01/613092901.db2.gz	UQCAMKMDOMMGEU-SNVBAGLBSA-N	-1	0	287.323	0.235	20	30		CCEDRM
C#CCN(CC#CC)C(=O)NC[C@H]1CCCN1C(=O)[O-]	ZINC000823451402	613099824	/nfs/dbraw/zinc/09/98/24/613099824.db2.gz	UCQMAJWGYKYRPP-GFCCVEGCSA-N	-1	0	277.324	0.797	20	30		CCEDRM
C#CCN(CC#CC)C(=O)c1cc(C(=O)[O-])nn1C	ZINC000864111122	613100257	/nfs/dbraw/zinc/10/02/57/613100257.db2.gz	RWSUPKVINURTAI-UHFFFAOYSA-N	-1	0	259.265	0.217	20	30		CCEDRM
C#CCN(CC)C(=O)[C@H](O)c1ccc(-c2nn[nH]n2)cc1	ZINC000823845416	613106317	/nfs/dbraw/zinc/10/63/17/613106317.db2.gz	REFJXNNFIVAEJR-GFCCVEGCSA-N	-1	0	285.307	0.382	20	30		CCEDRM
C#C[C@@](C)(CC)NC(=O)CCCn1c(=O)[n-][nH]c1=O	ZINC000908529881	613112419	/nfs/dbraw/zinc/11/24/19/613112419.db2.gz	QQVHPULCAHUEBG-LBPRGKRZSA-N	-1	0	266.301	0.388	20	30		CCEDRM
C#C[C@H](C)NC(=O)N1CCC(c2n[nH]c(=O)[n-]2)CC1	ZINC000923215599	613115615	/nfs/dbraw/zinc/11/56/15/613115615.db2.gz	KPVJMNPKVYCXER-QMMMGPOBSA-N	-1	0	263.301	0.421	20	30		CCEDRM
C#Cc1ccc(C(=O)N2CCOC[C@@H]2C(=O)[O-])cc1	ZINC000909057059	613170561	/nfs/dbraw/zinc/17/05/61/613170561.db2.gz	QAKZGBYUPBRTKM-GFCCVEGCSA-N	-1	0	259.261	0.594	20	30		CCEDRM
C#Cc1ccc(C(=O)N[C@](C)(COC)CC(=O)[O-])nc1	ZINC000825636069	613192881	/nfs/dbraw/zinc/19/28/81/613192881.db2.gz	BAXUXVDBMYXUDU-AWEZNQCLSA-N	-1	0	276.292	0.673	20	30		CCEDRM
C#CCN1CCC[C@H]1C(=O)NCC1(C(=O)[O-])CCCC1	ZINC000825618947	613198640	/nfs/dbraw/zinc/19/86/40/613198640.db2.gz	IICVYBZFMKOIKC-LBPRGKRZSA-N	-1	0	278.352	0.845	20	30		CCEDRM
C#CCN1CCC[C@H]1C(=O)NC[C@H](CC(=O)[O-])C1CC1	ZINC000909966768	613199202	/nfs/dbraw/zinc/19/92/02/613199202.db2.gz	WFMRKCOTAXTRAT-STQMWFEESA-N	-1	0	278.352	0.701	20	30		CCEDRM
C#Cc1cccc(CNC(=O)NCCOCC(=O)[O-])c1	ZINC000874402742	613200339	/nfs/dbraw/zinc/20/03/39/613200339.db2.gz	CTOJSLGAZGYFON-UHFFFAOYSA-N	-1	0	276.292	0.568	20	30		CCEDRM
C#Cc1ccccc1CC(=O)[N-]S(=O)(=O)[C@@H]1CCOC1	ZINC000810584589	613206849	/nfs/dbraw/zinc/20/68/49/613206849.db2.gz	FJSKKMSCEBKFMJ-CYBMUJFWSA-N	-1	0	293.344	0.445	20	30		CCEDRM
C#Cc1cncc(C(=O)N[C@@H](C(=O)[O-])[C@@H]2CCCOC2)c1	ZINC000909540678	613219035	/nfs/dbraw/zinc/21/90/35/613219035.db2.gz	BXPHCULLVPSOPP-DGCLKSJQSA-N	-1	0	288.303	0.673	20	30		CCEDRM
C=C(C)COCCNC(=O)[C@@](C)(C#N)CC(=O)[O-]	ZINC000819706212	613352156	/nfs/dbraw/zinc/35/21/56/613352156.db2.gz	RCFOSADQILEHOX-GFCCVEGCSA-N	-1	0	254.286	0.700	20	30		CCEDRM
C=C(C)CO[N-]C(=O)C(=O)Nc1cc(C(=O)OC)n(C)c1	ZINC000846146358	613352367	/nfs/dbraw/zinc/35/23/67/613352367.db2.gz	NNMBCGSAJSQNRL-UHFFFAOYSA-N	-1	0	295.295	0.374	20	30		CCEDRM
C=C(C)CO[N-]C(=O)C(=O)Nc1cc(C)nn1C	ZINC000846150132	613352390	/nfs/dbraw/zinc/35/23/90/613352390.db2.gz	YIACSBBDAWQONY-UHFFFAOYSA-N	-1	0	252.274	0.291	20	30		CCEDRM
C=C(C)CO[N-]C(=O)CNC(=O)Cc1ccc(O)cc1	ZINC000846536078	613352550	/nfs/dbraw/zinc/35/25/50/613352550.db2.gz	ROPSBODKRHWZCF-UHFFFAOYSA-N	-1	0	278.308	0.675	20	30		CCEDRM
C=C(C)CS(=O)(=O)N[C@@H]1C[C@@H]2C[C@H](C(=O)[O-])C[C@H]12	ZINC000903543177	613354195	/nfs/dbraw/zinc/35/41/95/613354195.db2.gz	RLFZURQOQFBTKE-XWLWVQCSSA-N	-1	0	273.354	0.981	20	30		CCEDRM
C=C(C)C[C@@H](NC(=O)Cn1nccc1C)C(=O)[O-]	ZINC000910291107	613355912	/nfs/dbraw/zinc/35/59/12/613355912.db2.gz	DBKCLLCPPWONIE-SNVBAGLBSA-N	-1	0	251.286	0.727	20	30		CCEDRM
C=C(C)C[C@@H](NC(=O)NCCn1ccnc1C)C(=O)[O-]	ZINC000908914689	613355930	/nfs/dbraw/zinc/35/59/30/613355930.db2.gz	XNFKKGYXTWREMQ-LLVKDONJSA-N	-1	0	280.328	0.910	20	30		CCEDRM
C=C(C)C[C@@H](NC(=O)c1cn2c(n1)CCC2)C(=O)[O-]	ZINC000864187854	613356192	/nfs/dbraw/zinc/35/61/92/613356192.db2.gz	PWRYCNHXXXNCAO-SECBINFHSA-N	-1	0	263.297	0.979	20	30		CCEDRM
C=C(C)C[C@H](CO)NS(=O)(=O)c1ncn(C)c1Cl	ZINC000882849308	613358604	/nfs/dbraw/zinc/35/86/04/613358604.db2.gz	GFAYUGGUIQBNMG-MRVPVSSYSA-N	-1	0	293.776	0.679	20	30		CCEDRM
C=C(C)C[C@H](NC(=O)Cc1cncc(O)c1)C(=O)[O-]	ZINC000910292887	613358655	/nfs/dbraw/zinc/35/86/55/613358655.db2.gz	RXXKLWUZZALZAD-NSHDSACASA-N	-1	0	264.281	0.865	20	30		CCEDRM
C=C(Cl)C[C@@H](NS(=O)(=O)c1c[nH]nc1C)C(=O)[O-]	ZINC000863420792	613388864	/nfs/dbraw/zinc/38/88/64/613388864.db2.gz	NBJFZSAWRGMRHS-SSDOTTSWSA-N	-1	0	293.732	0.592	20	30		CCEDRM
C=C(Cl)C[C@H](NC(=O)C1=NN(C)C(=O)CC1)C(=O)[O-]	ZINC000864184988	613390543	/nfs/dbraw/zinc/39/05/43/613390543.db2.gz	ZMBGIVYEPVPPMV-QMMMGPOBSA-N	-1	0	287.703	0.307	20	30		CCEDRM
C=C(Cl)C[C@H](NC(=O)c1cn(C)nc1OC)C(=O)[O-]	ZINC000910269300	613390831	/nfs/dbraw/zinc/39/08/31/613390831.db2.gz	ABJCIECGKWDISE-QMMMGPOBSA-N	-1	0	287.703	0.754	20	30		CCEDRM
C=C(Cl)C[C@H](NS(=O)(=O)[C@H]1CCOC1)C(=O)[O-]	ZINC000863419486	613390931	/nfs/dbraw/zinc/39/09/31/613390931.db2.gz	AWQAIJNFOPZUGI-YUMQZZPRSA-N	-1	0	283.733	0.291	20	30		CCEDRM
C=CCSCCNC(=O)N=c1nn[n-]n1CC	ZINC000888331497	613395348	/nfs/dbraw/zinc/39/53/48/613395348.db2.gz	PFRHTMZTVYXKHO-UHFFFAOYSA-N	-1	0	256.335	0.156	20	30		CCEDRM
C=CCSCCNC(=O)[C@H]1C[C@@H](O)CN1C(=O)[O-]	ZINC000823516568	613395866	/nfs/dbraw/zinc/39/58/66/613395866.db2.gz	OUOCYUOZWJEWIE-RKDXNWHRSA-N	-1	0	274.342	0.135	20	30		CCEDRM
C=CC[C@@H](C)NC(=O)C(=O)Nc1cc(C(=O)[O-])n(C)c1	ZINC000833371246	613399628	/nfs/dbraw/zinc/39/96/28/613399628.db2.gz	REJYANZXANIBNC-MRVPVSSYSA-N	-1	0	279.296	0.743	20	30		CCEDRM
C=CC[C@@H](CC)NC(=O)CCCn1c(=O)[n-][nH]c1=O	ZINC000907964073	613401176	/nfs/dbraw/zinc/40/11/76/613401176.db2.gz	ZPMNZCIOUFKYHU-SECBINFHSA-N	-1	0	268.317	0.940	20	30		CCEDRM
C=C1CCC(C(=O)NCCc2nc(=O)o[n-]2)CC1	ZINC000897597800	613407725	/nfs/dbraw/zinc/40/77/25/613407725.db2.gz	ACODRAAULVAYPX-UHFFFAOYSA-N	-1	0	251.286	0.768	20	30		CCEDRM
C=CC[C@H](C)OC(=O)Cn1[n-]cc2c(=O)ncnc1-2	ZINC000860903252	613414300	/nfs/dbraw/zinc/41/43/00/613414300.db2.gz	VWNNSKYDWMEVGQ-QMMMGPOBSA-N	-1	0	262.269	0.579	20	30		CCEDRM
C=CC[C@H](CO)CNC(=O)c1cncc(C(=O)[O-])c1	ZINC000833371884	613416234	/nfs/dbraw/zinc/41/62/34/613416234.db2.gz	ZGOMUQVKYYXZGI-VIFPVBQESA-N	-1	0	264.281	0.694	20	30		CCEDRM
C=CCn1cc(C(=O)[N-]S(=O)(=O)C2(Cl)CC2)nn1	ZINC000893233303	613429460	/nfs/dbraw/zinc/42/94/60/613429460.db2.gz	LYNDSZSZYYFPPW-UHFFFAOYSA-N	-1	0	290.732	0.253	20	30		CCEDRM
C=CCn1cc(C(=O)N[C@H]2C[C@H]3C[C@@H](C(=O)[O-])C[C@H]32)nn1	ZINC000907946484	613431890	/nfs/dbraw/zinc/43/18/90/613431890.db2.gz	RWKNHWPSHVRVIY-DBIOUOCHSA-N	-1	0	290.323	0.693	20	30		CCEDRM
C=CCn1cc(CNC(=O)[C@H](C)CC(=O)[O-])nn1	ZINC000909851695	613435310	/nfs/dbraw/zinc/43/53/10/613435310.db2.gz	YUWXAUSUEABWKJ-MRVPVSSYSA-N	-1	0	252.274	0.191	20	30		CCEDRM
C=C[C@@H](C)O[N-]C(=O)C(=O)Nc1cn(C)nc1CC	ZINC000846153933	613443297	/nfs/dbraw/zinc/44/32/97/613443297.db2.gz	MSUKLCIWNCWGDA-MRVPVSSYSA-N	-1	0	266.301	0.543	20	30		CCEDRM
C=C[C@@H](C)O[N-]C(=O)C(=O)Nc1cc(CCC)nn1C	ZINC000846154759	613443330	/nfs/dbraw/zinc/44/33/30/613443330.db2.gz	SCBXIDJJUSBAHG-SECBINFHSA-N	-1	0	280.328	0.933	20	30		CCEDRM
C=C[C@@H](C)O[N-]C(=O)CN1CCN(C2CC2)C1=O	ZINC000855027028	613443613	/nfs/dbraw/zinc/44/36/13/613443613.db2.gz	WMCQMLXRQINVAC-SECBINFHSA-N	-1	0	253.302	0.509	20	30		CCEDRM
C=C[C@@H](C)O[N-]C(=O)CN1C(=O)N[C@@](C)(C2CC2)C1=O	ZINC000846544278	613443704	/nfs/dbraw/zinc/44/37/04/613443704.db2.gz	VXWCDCCWTQPHNT-OQPBUACISA-N	-1	0	281.312	0.329	20	30		CCEDRM
C=C[C@@H](C)O[N-]C(=O)[C@H]1COCCN1CC(F)(F)F	ZINC000846553233	613447220	/nfs/dbraw/zinc/44/72/20/613447220.db2.gz	ZVQMBAVDILMLHN-RKDXNWHRSA-N	-1	0	282.262	0.872	20	30		CCEDRM
C=C[C@@H](C)O[N-]C(=O)[C@@H]1[C@H]2CC[C@]3(COC(=O)[C@H]13)O2	ZINC000862133383	613447257	/nfs/dbraw/zinc/44/72/57/613447257.db2.gz	ZDKDACYFTSCNIH-RBMYMFIASA-N	-1	0	267.281	0.329	20	30		CCEDRM
C=C[C@@H](O)C(=O)N(C)[C@H](Cc1ccccc1)C(=O)[O-]	ZINC000909640932	613449612	/nfs/dbraw/zinc/44/96/12/613449612.db2.gz	RWPZFQSLSCZJAI-VXGBXAGGSA-N	-1	0	263.293	0.688	20	30		CCEDRM
C=CC1(S(=O)(=O)[N-]C(=O)C(C)(C)CNC(C)=O)CC1	ZINC000870838880	613449851	/nfs/dbraw/zinc/44/98/51/613449851.db2.gz	PPYHVXSZZAPDQP-UHFFFAOYSA-N	-1	0	288.369	0.313	20	30		CCEDRM
C=CC1(S(=O)(=O)[N-]C(=O)[C@@H]2CCOC[C@H]2C)CC1	ZINC000870836621	613451296	/nfs/dbraw/zinc/45/12/96/613451296.db2.gz	IJYBISPVWIBFRO-NXEZZACHSA-N	-1	0	273.354	0.824	20	30		CCEDRM
C=C[C@@H](O)C(=O)OCC([O-])=C(C#N)c1nc(C)cs1	ZINC000814549873	613453962	/nfs/dbraw/zinc/45/39/62/613453962.db2.gz	NVBAXJGDYYKIFZ-DTWKUNHWSA-N	-1	0	280.305	0.718	20	30		CCEDRM
C=CCC(F)(F)C(=O)N1CCOC[C@H]1c1nnn[n-]1	ZINC000913499572	613454007	/nfs/dbraw/zinc/45/40/07/613454007.db2.gz	WHBYOAKMMOJGJH-ZETCQYMHSA-N	-1	0	273.243	0.311	20	30		CCEDRM
C=CCC(F)(F)C(=O)[N-]S(=O)(=O)CCC(=O)OC	ZINC000842355697	613455243	/nfs/dbraw/zinc/45/52/43/613455243.db2.gz	LIUYZVIBVYXVFK-UHFFFAOYSA-N	-1	0	285.268	0.207	20	30		CCEDRM
C=CCC1(C(=O)[N-]S(=O)(=O)N(C)CC)CCOCC1	ZINC000820123955	613456576	/nfs/dbraw/zinc/45/65/76/613456576.db2.gz	KQVYFCMZBPDLJH-UHFFFAOYSA-N	-1	0	290.385	0.672	20	30		CCEDRM
C=C[C@@H]1OCCC[C@H]1NC(=O)N[C@H]1C[C@@H](C(=O)[O-])C1	ZINC000874402725	613460575	/nfs/dbraw/zinc/46/05/75/613460575.db2.gz	CCVMEZSFKSPXLW-YTWAJWBKSA-N	-1	0	268.313	0.882	20	30		CCEDRM
C=CCCC(=O)N1CC[C@@H](C(=O)OC)C[C@@H]1C(=O)[O-]	ZINC000833373324	613462552	/nfs/dbraw/zinc/46/25/52/613462552.db2.gz	LEKVOCVWKDCVAA-NXEZZACHSA-N	-1	0	269.297	0.817	20	30		CCEDRM
C=CCCCC(=O)[N-]S(=O)(=O)c1cnc2n1CCC2	ZINC000802206695	613464858	/nfs/dbraw/zinc/46/48/58/613464858.db2.gz	JMUOGHHONGWXKT-UHFFFAOYSA-N	-1	0	283.353	0.991	20	30		CCEDRM
C=CCCCN1C(=O)N[C@]2(CCN(C(=O)[O-])C2)C1=O	ZINC000823496812	613467299	/nfs/dbraw/zinc/46/72/99/613467299.db2.gz	PMKCFCKBWYZNCB-LBPRGKRZSA-N	-1	0	267.285	0.627	20	30		CCEDRM
C=CCCCS(=O)(=O)N1CC[C@@H]2[C@H](C1)[C@H]2C(=O)[O-]	ZINC000871775386	613468681	/nfs/dbraw/zinc/46/86/81/613468681.db2.gz	HJCCOOWNBPHKQW-VWYCJHECSA-N	-1	0	273.354	0.935	20	30		CCEDRM
C=CCCC[C@@H](NC(=O)NCCn1ccnc1)C(=O)[O-]	ZINC000908752717	613470650	/nfs/dbraw/zinc/47/06/50/613470650.db2.gz	FAUAVRVEKGKSJH-LLVKDONJSA-N	-1	0	280.328	0.992	20	30		CCEDRM
C=CCCC[C@@H](NC(=O)NCCn1cccn1)C(=O)[O-]	ZINC000905514479	613470708	/nfs/dbraw/zinc/47/07/08/613470708.db2.gz	HSZIVAQKMWNOED-LLVKDONJSA-N	-1	0	280.328	0.992	20	30		CCEDRM
C=CCCC[C@H](NC(=O)[C@H](OC)[C@H]1CCOC1)C(=O)[O-]	ZINC000910926382	613474404	/nfs/dbraw/zinc/47/44/04/613474404.db2.gz	SEMJOUWQZFIQGC-SDDRHHMPSA-N	-1	0	285.340	0.964	20	30		CCEDRM
C=CCCC[C@H](NS(=O)(=O)N(C)CC)C(=O)[O-]	ZINC000903058647	613474826	/nfs/dbraw/zinc/47/48/26/613474826.db2.gz	IRGWLYVLMIUEOD-VIFPVBQESA-N	-1	0	264.347	0.582	20	30		CCEDRM
C=C[C@H](C)NS(=O)(=O)Cc1cccc(-c2nn[nH]n2)c1	ZINC000819729020	613483292	/nfs/dbraw/zinc/48/32/92/613483292.db2.gz	AIFHPGGKQIQIGP-VIFPVBQESA-N	-1	0	293.352	0.861	20	30		CCEDRM
C=C[C@H](C)O[N-]C(=O)C(=O)Nc1cc(CC)on1	ZINC000846155673	613483680	/nfs/dbraw/zinc/48/36/80/613483680.db2.gz	VANYBUWKRRORRW-ZETCQYMHSA-N	-1	0	253.258	0.798	20	30		CCEDRM
C=C[C@H](C)O[N-]C(=O)C(=O)Nc1c(C)nn(C)c1C	ZINC000846155160	613483717	/nfs/dbraw/zinc/48/37/17/613483717.db2.gz	VGBJWVXQYNDPIP-ZETCQYMHSA-N	-1	0	266.301	0.598	20	30		CCEDRM
C=C[C@H](C)O[N-]C(=O)C(=O)Nc1c2c(nn1C)CCCC2	ZINC000873935035	613483720	/nfs/dbraw/zinc/48/37/20/613483720.db2.gz	XRJYJUWXKAYJTH-VIFPVBQESA-N	-1	0	292.339	0.860	20	30		CCEDRM
C=C[C@H](C)O[N-]C(=O)C(=O)Nc1cnn2c1CCCC2	ZINC000873934265	613483743	/nfs/dbraw/zinc/48/37/43/613483743.db2.gz	JJJPMQHXGUFQLR-VIFPVBQESA-N	-1	0	278.312	0.780	20	30		CCEDRM
C=C[C@H](C)O[N-]C(=O)Cn1c(C)cc(C)nc1=O	ZINC000846548476	613484683	/nfs/dbraw/zinc/48/46/83/613484683.db2.gz	KBHUHHXDUKMFCH-JTQLQIEISA-N	-1	0	251.286	0.482	20	30		CCEDRM
C=C[C@H](C)ONC(=O)c1ccc([N-]S(C)(=O)=O)nc1	ZINC000862132691	613488739	/nfs/dbraw/zinc/48/87/39/613488739.db2.gz	JQXGEUNOQBQGLH-QMMMGPOBSA-N	-1	0	285.325	0.689	20	30		CCEDRM
C=C[C@H](O)C(=O)N[C@](C)(CC(=O)[O-])c1ccncc1	ZINC000911620245	613497816	/nfs/dbraw/zinc/49/78/16/613497816.db2.gz	OJNOYDVHWUOAQV-GXFFZTMASA-N	-1	0	264.281	0.435	20	30		CCEDRM
C=C[C@](C)(CCOC)C(=O)NC[C@@H]1CCO[C@@H]1C(=O)[O-]	ZINC000910348058	613505724	/nfs/dbraw/zinc/50/57/24/613505724.db2.gz	YKJOHPDNKISICB-COPLHBTASA-N	-1	0	285.340	0.821	20	30		CCEDRM
C=C[C@](C)(CCOC)C(=O)N[C@H](CCOC)C(=O)[O-]	ZINC000909625153	613506253	/nfs/dbraw/zinc/50/62/53/613506253.db2.gz	LREUNTMXWKKORP-ZWNOBZJWSA-N	-1	0	273.329	0.821	20	30		CCEDRM
C=C[C@](C)(O)C(=O)N1CCC[C@@](COC)(C(=O)[O-])C1	ZINC000909717029	613506704	/nfs/dbraw/zinc/50/67/04/613506704.db2.gz	WBANNWWOCAQXCQ-QWHCGFSZSA-N	-1	0	271.313	0.263	20	30		CCEDRM
CC#CCN(C)S(=O)(=O)c1ccc(CC(=O)[O-])cc1	ZINC000926552417	613524744	/nfs/dbraw/zinc/52/47/44/613524744.db2.gz	MKSKGQXVPUHFOX-UHFFFAOYSA-N	-1	0	281.333	0.958	20	30		CCEDRM
C=CCCO[N-]C(=O)[C@@H]1C[C@H](O)CN1c1ccncn1	ZINC000824660348	613577302	/nfs/dbraw/zinc/57/73/02/613577302.db2.gz	TUMXVWIXKOKMSY-QWRGUYRKSA-N	-1	0	278.312	0.040	20	30		CCEDRM
C=CCCO[C@H](C)C(=O)N1CCC[C@H](O)[C@@H]1C(=O)[O-]	ZINC000911639525	613579023	/nfs/dbraw/zinc/57/90/23/613579023.db2.gz	SGPMMLFFKCANKB-OUAUKWLOSA-N	-1	0	271.313	0.404	20	30		CCEDRM
C=CCCO[C@H](C)C(=O)N1CCC[C@H]1C(=O)NCC(=O)[O-]	ZINC000910762333	613579094	/nfs/dbraw/zinc/57/90/94/613579094.db2.gz	RVBGMURCWKRFHR-MNOVXSKESA-N	-1	0	298.339	0.159	20	30		CCEDRM
C=CCCS(=O)(=O)N1C[C@@H](F)C[C@H]1C(=O)[O-]	ZINC000902996922	613581203	/nfs/dbraw/zinc/58/12/03/613581203.db2.gz	PWPBSFBBJFEYEU-YUMQZZPRSA-N	-1	0	251.279	0.389	20	30		CCEDRM
C=CCCS(=O)(=O)N[C@H]1C[C@H]2C[C@H](C(=O)[O-])C[C@H]21	ZINC000903542743	613582252	/nfs/dbraw/zinc/58/22/52/613582252.db2.gz	KSIBKUGZEYICJF-YTWAJWBKSA-N	-1	0	273.354	0.981	20	30		CCEDRM
C=CCC[C@@H](NC(=O)C1(N2CCOCC2)CCC1)C(=O)[O-]	ZINC000909714156	613584599	/nfs/dbraw/zinc/58/45/99/613584599.db2.gz	UJAXEOXHYKJQOJ-GFCCVEGCSA-N	-1	0	296.367	0.777	20	30		CCEDRM
C=CCC[C@@H](NC(=O)NCCn1cnnc1CC)C(=O)[O-]	ZINC000837298393	613584837	/nfs/dbraw/zinc/58/48/37/613584837.db2.gz	MHAFRLGGFMPDRH-SNVBAGLBSA-N	-1	0	295.343	0.559	20	30		CCEDRM
C=CCN(CC(=O)[O-])C(=O)c1cc(=O)c(OC)co1	ZINC000909515255	613643614	/nfs/dbraw/zinc/64/36/14/613643614.db2.gz	RWTKROURVXSXLS-UHFFFAOYSA-N	-1	0	267.237	0.361	20	30		CCEDRM
C=CCN(CC(=O)[O-])C(=O)c1cnn(CCOC)c1	ZINC000909516625	613643719	/nfs/dbraw/zinc/64/37/19/613643719.db2.gz	KVUQYFSAULYUSU-UHFFFAOYSA-N	-1	0	267.285	0.242	20	30		CCEDRM
C=CCN(CC(=O)[O-])C(=O)c1cn(C(C)(C)C)nn1	ZINC000909514960	613643771	/nfs/dbraw/zinc/64/37/71/613643771.db2.gz	NFVZUHYAHXWIIA-UHFFFAOYSA-N	-1	0	266.301	0.746	20	30		CCEDRM
CC#CCS(=O)(=O)[N-]C(=O)CC1(CSC)CC1	ZINC000845543640	613645820	/nfs/dbraw/zinc/64/58/20/613645820.db2.gz	CYFQGFRAXSSWTO-UHFFFAOYSA-N	-1	0	275.395	0.989	20	30		CCEDRM
CC#CCS(=O)(=O)[N-]C(=O)CCc1c(C)noc1C	ZINC000810773967	613645879	/nfs/dbraw/zinc/64/58/79/613645879.db2.gz	RCWHPTJIMIFOPZ-UHFFFAOYSA-N	-1	0	284.337	0.693	20	30		CCEDRM
CC#CCS(=O)(=O)[N-]C(=O)C[C@@H]1CC[C@H]2C[C@H]21	ZINC000835372394	613646116	/nfs/dbraw/zinc/64/61/16/613646116.db2.gz	SVLGOXCRPAWMLX-GARJFASQSA-N	-1	0	255.339	0.892	20	30		CCEDRM
CC#CCS(=O)(=O)[N-]C(=O)Cc1ccc(F)cc1	ZINC000810775773	613646132	/nfs/dbraw/zinc/64/61/32/613646132.db2.gz	UAIJQTOTERCYHJ-UHFFFAOYSA-N	-1	0	269.297	0.838	20	30		CCEDRM
CC#CCS(=O)(=O)[N-]C(=O)[C@@H](C)OCCCC	ZINC000810774496	613646145	/nfs/dbraw/zinc/64/61/45/613646145.db2.gz	IZPIJKRWGOKMQS-SNVBAGLBSA-N	-1	0	261.343	0.661	20	30		CCEDRM
CC#CCS(=O)(=O)[N-]C(=O)Cc1cccc(F)c1F	ZINC000810770775	613646220	/nfs/dbraw/zinc/64/62/20/613646220.db2.gz	AYXPKIDQLNXCNN-UHFFFAOYSA-N	-1	0	287.287	0.977	20	30		CCEDRM
CC#CCS(=O)(=O)[N-]C(=O)C[C@@H]1CCC(=O)[C@@H]1C	ZINC000810778174	613646251	/nfs/dbraw/zinc/64/62/51/613646251.db2.gz	XAIUBJDXTSQLEM-ZJUUUORDSA-N	-1	0	271.338	0.461	20	30		CCEDRM
CC#CCS(=O)(=O)[N-]C(=O)[C@](C)(OC)C1CC1	ZINC000813095582	613646975	/nfs/dbraw/zinc/64/69/75/613646975.db2.gz	XBZMQVMZOQPHHG-LLVKDONJSA-N	-1	0	259.327	0.271	20	30		CCEDRM
CC#CCS(=O)(=O)[N-]C(=O)c1cnn(CC(C)C)c1C	ZINC000798202440	613648008	/nfs/dbraw/zinc/64/80/08/613648008.db2.gz	FAQWHGUNMYDWRM-UHFFFAOYSA-N	-1	0	297.380	0.930	20	30		CCEDRM
CC(N=NC1=NCC(=O)N1)[C@H](C)CCCCC(=O)[O-]	ZINC000863177656	613653936	/nfs/dbraw/zinc/65/39/36/613653936.db2.gz	SSOJNRLDMHCVLJ-MRVPVSSYSA-N	-1	0	268.317	0.719	20	30		CCEDRM
CC(=NNCCS(C)(=O)=O)[C@H]1CCCCN1C(=O)[O-]	ZINC000823531928	613655705	/nfs/dbraw/zinc/65/57/05/613655705.db2.gz	FJCXEZSSABXGGR-SNVBAGLBSA-N	-1	0	291.373	0.529	20	30		CCEDRM
C=CCN1CC(N(CC)C(=O)c2n[nH]c(C)c2[O-])C1	ZINC000949901240	613659292	/nfs/dbraw/zinc/65/92/92/613659292.db2.gz	SXILQCINCZLQDF-UHFFFAOYSA-N	-1	0	264.329	0.756	20	30		CCEDRM
CC(=O)N1CCCN(C(=O)[C@@](C)(C#N)CC(=O)[O-])CC1	ZINC000819731245	613841227	/nfs/dbraw/zinc/84/12/27/613841227.db2.gz	GDFSJXALNXNEKJ-CYBMUJFWSA-N	-1	0	281.312	0.072	20	30		CCEDRM
C=CCNC(=O)COC(=O)[C@H]1CCC[C@H](C(=O)[O-])C1	ZINC000825687478	613848258	/nfs/dbraw/zinc/84/82/58/613848258.db2.gz	LOTKCRRNKXUNIU-UWVGGRQHSA-N	-1	0	269.297	0.723	20	30		CCEDRM
C=CCNC(=O)C(C#N)=C([O-])c1nn(CC)nc1C	ZINC000815909228	613855005	/nfs/dbraw/zinc/85/50/05/613855005.db2.gz	UUPQXIRKQMXUBD-SECBINFHSA-N	-1	0	261.285	0.231	20	30		CCEDRM
C=CCNC(=O)[C@H](C)OC(=O)[C@H](CC)NC(=O)[O-]	ZINC000823507361	613855674	/nfs/dbraw/zinc/85/56/74/613855674.db2.gz	WEXWCQFWNWJSND-YUMQZZPRSA-N	-1	0	258.274	0.267	20	30		CCEDRM
C=CCNC(=O)[C@H](C)OC(=O)[C@H]1CC[C@@H](NC(=O)[O-])C1	ZINC000823507026	613855849	/nfs/dbraw/zinc/85/58/49/613855849.db2.gz	QITPYCATPCYTCZ-LPEHRKFASA-N	-1	0	284.312	0.657	20	30		CCEDRM
C=CCOCC(=O)N(C1CC1)[C@H]1CCN(C(=O)[O-])C1	ZINC000823516260	613879101	/nfs/dbraw/zinc/87/91/01/613879101.db2.gz	DHOUQYKMVJZGBB-NSHDSACASA-N	-1	0	268.313	0.932	20	30		CCEDRM
C=CCOCC(=O)N[C@@H](C[C@@H]1CCCO1)C(=O)[O-]	ZINC000910589166	613879444	/nfs/dbraw/zinc/87/94/44/613879444.db2.gz	BRRSTJWVJLPCIH-UWVGGRQHSA-N	-1	0	257.286	0.328	20	30		CCEDRM
C=CCOCCCC(=O)N[C@](C)(Cn1cccn1)C(=O)[O-]	ZINC000908272847	613879863	/nfs/dbraw/zinc/87/98/63/613879863.db2.gz	LDUDPIWZJIYWAZ-CQSZACIVSA-N	-1	0	295.339	0.825	20	30		CCEDRM
C=CCOCCNC(=O)N[C@@H]1CCCN(C(=O)[O-])C1	ZINC000833376239	613880955	/nfs/dbraw/zinc/88/09/55/613880955.db2.gz	ZGWVNSDCHKMHIC-SNVBAGLBSA-N	-1	0	271.317	0.631	20	30		CCEDRM
C=CCOC[C@@H](NC(=O)C[C@@](C)(O)C1CC1)C(=O)[O-]	ZINC000909769496	613881646	/nfs/dbraw/zinc/88/16/46/613881646.db2.gz	CSCTUZLPDDLBHB-ZWNOBZJWSA-N	-1	0	271.313	0.310	20	30		CCEDRM
C=CCOC[C@@H](NC(=O)COC(F)(F)F)C(=O)[O-]	ZINC000909767584	613881665	/nfs/dbraw/zinc/88/16/65/613881665.db2.gz	PTOOXNRPJJJLDQ-ZCFIWIBFSA-N	-1	0	271.191	0.295	20	30		CCEDRM
C=CCOC[C@H](NC(=O)COC(C)(C)C)C(=O)[O-]	ZINC000909770466	613882390	/nfs/dbraw/zinc/88/23/90/613882390.db2.gz	JTJHNKFJLQBLLF-VIFPVBQESA-N	-1	0	259.302	0.574	20	30		CCEDRM
C=CCOC[C@H](NC(=O)c1cccnc1C)C(=O)[O-]	ZINC000909772137	613882710	/nfs/dbraw/zinc/88/27/10/613882710.db2.gz	WAPLYZGDRHDQLP-NSHDSACASA-N	-1	0	264.281	0.776	20	30		CCEDRM
C=CCO[N-]C(=O)CSCC(=O)N1CCCCC1	ZINC000837044347	613883107	/nfs/dbraw/zinc/88/31/07/613883107.db2.gz	ZHOMDPIJHWNYOA-UHFFFAOYSA-N	-1	0	272.370	0.966	20	30		CCEDRM
C=CCO[N-]C(=O)CN(C)C(=O)[C@@H](C)n1cccn1	ZINC000837044508	613883225	/nfs/dbraw/zinc/88/32/25/613883225.db2.gz	ODCGKHXTHHWUCG-SNVBAGLBSA-N	-1	0	266.301	0.136	20	30		CCEDRM
C=CCO[N-]C(=O)[C@@H](C)n1nnnc1C(C)(C)C	ZINC000837048403	613884417	/nfs/dbraw/zinc/88/44/17/613884417.db2.gz	SQEVSBCOTWPCFA-MRVPVSSYSA-N	-1	0	253.306	0.765	20	30		CCEDRM
C=CCS(=O)(=O)[N-]C(=O)CC(C)(C)C(=O)OCC	ZINC000805902527	613886085	/nfs/dbraw/zinc/88/60/85/613886085.db2.gz	RCXAMJQVIRMVTP-UHFFFAOYSA-N	-1	0	277.342	0.598	20	30		CCEDRM
C=CCS(=O)(=O)[N-]C(=O)[C@@H]1CCC(=O)N1C(C)C	ZINC000873514204	613886203	/nfs/dbraw/zinc/88/62/03/613886203.db2.gz	OMHRMDPLNMHJSX-VIFPVBQESA-N	-1	0	274.342	0.018	20	30		CCEDRM
CC(C)NC(=O)C(C#N)=C([O-])c1cc2c(cn1)OCCO2	ZINC000819943204	613933927	/nfs/dbraw/zinc/93/39/27/613933927.db2.gz	PMPPXXODUSRVIF-SECBINFHSA-N	-1	0	289.291	0.700	20	30		CCEDRM
CC(C)(C)[C@@H](NC(=O)C#CC1CC1)c1nc(=O)o[n-]1	ZINC000911586687	614021684	/nfs/dbraw/zinc/02/16/84/614021684.db2.gz	GHFODRCBWSVQNQ-JTQLQIEISA-N	-1	0	263.297	0.980	20	30		CCEDRM
CC(C)(C)n1nnc(CN=Nc2ccc(C(=O)[O-])cn2)n1	ZINC000853325913	614068845	/nfs/dbraw/zinc/06/88/45/614068845.db2.gz	NPQNHQVSJUBKBZ-UHFFFAOYSA-N	-1	0	289.299	0.967	20	30		CCEDRM
CC(C)CNC(=O)COC(=O)[C@@](C)(C#N)CC(=O)[O-]	ZINC000819980156	614137549	/nfs/dbraw/zinc/13/75/49/614137549.db2.gz	KWCMQCJLCJCHFG-GFCCVEGCSA-N	-1	0	270.285	0.306	20	30		CCEDRM
CC(C)[C@@](C)(C#N)NC(=O)CN1CC[C@](F)(C(=O)[O-])C1	ZINC000826676095	614180250	/nfs/dbraw/zinc/18/02/50/614180250.db2.gz	CKMKEKVIKJZPEK-CHWSQXEVSA-N	-1	0	285.319	0.539	20	30		CCEDRM
CC(C)[C@@](C)(C#N)NC(=O)[C@@H](C)[N@H+](C)CCC(=O)[O-]	ZINC000817733730	614180673	/nfs/dbraw/zinc/18/06/73/614180673.db2.gz	XCACKRIQXUAJDS-ZWNOBZJWSA-N	-1	0	269.345	0.836	20	30		CCEDRM
CC(C)C[C@H](CNC(=O)[O-])NC(=O)N1CCO[C@@H](C#N)C1	ZINC000824188617	614215814	/nfs/dbraw/zinc/21/58/14/614215814.db2.gz	CYBPOCCCMLMSMA-MNOVXSKESA-N	-1	0	298.343	0.603	20	30		CCEDRM
CC(C)[C@](C)(C#N)NC(=O)C[N@@H+]1C[C@@H](C)[C@H](C(=O)[O-])C1	ZINC000828431668	614285930	/nfs/dbraw/zinc/28/59/30/614285930.db2.gz	JXALURMUTFNZLW-GYSYKLTISA-N	-1	0	281.356	0.693	20	30		CCEDRM
CC(C)(C#N)CS(=O)(=O)[N-]C(=O)[C@H]1CCC(=O)C1	ZINC000842752463	614287476	/nfs/dbraw/zinc/28/74/76/614287476.db2.gz	MLAZLPNWLRETPP-QMMMGPOBSA-N	-1	0	272.326	0.351	20	30		CCEDRM
CC(C)N(CCC#N)C(=O)COC1CN(C(=O)[O-])C1	ZINC000824336172	614290454	/nfs/dbraw/zinc/29/04/54/614290454.db2.gz	MRINAGUXRKIHEA-UHFFFAOYSA-N	-1	0	269.301	0.516	20	30		CCEDRM
CCCN(C)S(=O)(=O)[N-]C(=O)c1cc(C#N)oc1C	ZINC000797953882	614524563	/nfs/dbraw/zinc/52/45/63/614524563.db2.gz	MFACEPOCKPSCLS-UHFFFAOYSA-N	-1	0	285.325	0.776	20	30		CCEDRM
CCCn1nccc1C(=O)[N-]S(=O)(=O)CCCC#N	ZINC000850926105	614548436	/nfs/dbraw/zinc/54/84/36/614548436.db2.gz	HUFZWFONQXIIMB-UHFFFAOYSA-N	-1	0	284.341	0.656	20	30		CCEDRM
CCCN(CC(=O)N(C)C)C(=O)[C@](C)(C#N)CC(=O)[O-]	ZINC000820317256	614555437	/nfs/dbraw/zinc/55/54/37/614555437.db2.gz	SYHAQIWCCIVFPU-ZDUSSCGKSA-N	-1	0	283.328	0.318	20	30		CCEDRM
CCN(C(=O)Cn1cc(C#N)c(=O)[n-]c1=O)C(C)C	ZINC000874110587	614596637	/nfs/dbraw/zinc/59/66/37/614596637.db2.gz	IVIGAMZLWPDVBJ-UHFFFAOYSA-N	-1	0	264.285	0.077	20	30		CCEDRM
CCCCCCCS(=O)(=O)NCCc1nc(=O)o[n-]1	ZINC000810074827	614903344	/nfs/dbraw/zinc/90/33/44/614903344.db2.gz	AIJGKGLLQPWLHG-UHFFFAOYSA-N	-1	0	291.373	0.795	20	30		CCEDRM
CCCCCCCn1c(=O)c(-c2nnn[n-]2)cn(C)c1=O	ZINC000825270786	614903586	/nfs/dbraw/zinc/90/35/86/614903586.db2.gz	CWQJLRNZILZDAQ-UHFFFAOYSA-N	-1	0	292.343	0.698	20	30		CCEDRM
CCCOCC(=O)[N-]S(=O)(=O)c1cncc(C#N)c1	ZINC000813982451	614935805	/nfs/dbraw/zinc/93/58/05/614935805.db2.gz	ZYTYGJDBMGHJCJ-UHFFFAOYSA-N	-1	0	283.309	0.185	20	30		CCEDRM
CC1=C(C(=O)[O-])C[C@@H](CN2CCO[C@@H](C#N)C2)O1	ZINC000833581492	614959184	/nfs/dbraw/zinc/95/91/84/614959184.db2.gz	XJPNWXQXMAOASF-UWVGGRQHSA-N	-1	0	252.270	0.358	20	30		CCEDRM
CCCS(=O)(=O)N1CCC[C@H](C#CC(=O)[O-])C1	ZINC000899927260	614964573	/nfs/dbraw/zinc/96/45/73/614964573.db2.gz	UJVOOVGXGRZDJJ-SNVBAGLBSA-N	-1	0	259.327	0.526	20	30		CCEDRM
CCCS(=O)(=O)[N-]C(=O)c1cccc(C#N)n1	ZINC000810592345	614967323	/nfs/dbraw/zinc/96/73/23/614967323.db2.gz	SGSGJZJLVFAOJU-UHFFFAOYSA-N	-1	0	253.283	0.423	20	30		CCEDRM
CCN(C[C@@H](C)C#N)C(=O)[C@@](C)(C#N)CC(=O)[O-]	ZINC000820332729	615061941	/nfs/dbraw/zinc/06/19/41/615061941.db2.gz	GSRQFCLIEUAPCE-JOYOIKCWSA-N	-1	0	251.286	0.999	20	30		CCEDRM
CCN(C[C@H](C)C#N)C(=O)C[N@@H+]1CC[C@@H](C(=O)[O-])C1	ZINC000818193822	615064396	/nfs/dbraw/zinc/06/43/96/615064396.db2.gz	XZQDCFWWHQQBNB-GHMZBOCLSA-N	-1	0	267.329	0.401	20	30		CCEDRM
CCN(C[C@H](C)C#N)C(=O)CC1CN(C(=O)[O-])C1	ZINC000827020069	615064483	/nfs/dbraw/zinc/06/44/83/615064483.db2.gz	LMGLAICZWKAUIP-SECBINFHSA-N	-1	0	253.302	0.994	20	30		CCEDRM
CCN(C[C@H](C)C#N)C(=O)COC(=O)[C@@H](C)CC(=O)[O-]	ZINC000829642324	615064624	/nfs/dbraw/zinc/06/46/24/615064624.db2.gz	JBHLZMWIRMALEE-ZJUUUORDSA-N	-1	0	284.312	0.649	20	30		CCEDRM
CCOC(=O)C(C)(C)O[N-]C(=O)C1(C#N)CCOCC1	ZINC000855134014	615151019	/nfs/dbraw/zinc/15/10/19/615151019.db2.gz	ZMNDVXOOFHLDNM-UHFFFAOYSA-N	-1	0	284.312	0.696	20	30		CCEDRM
CCOC(=O)c1ccc(C([O-])=C(C#N)C(=O)NC)cc1	ZINC000810534448	615181255	/nfs/dbraw/zinc/18/12/55/615181255.db2.gz	RAZXSQWIPCSOER-NSHDSACASA-N	-1	0	274.276	0.932	20	30		CCEDRM
CCOCCCNC(=O)C(C#N)=C([O-])c1ncoc1C	ZINC000105755470	615244497	/nfs/dbraw/zinc/24/44/97/615244497.db2.gz	ROZHKLXDPHFBFD-JTQLQIEISA-N	-1	0	279.296	0.848	20	30		CCEDRM
CCOCCN(CC)C(=O)[C@](C)(C#N)CC(=O)[O-]	ZINC000820377823	615250659	/nfs/dbraw/zinc/25/06/59/615250659.db2.gz	KASOVIWBAKWKIR-LBPRGKRZSA-N	-1	0	256.302	0.876	20	30		CCEDRM
CCOC[C@H](C(=O)[O-])N(C)S(=O)(=O)CCCC#N	ZINC000829978919	615313419	/nfs/dbraw/zinc/31/34/19/615313419.db2.gz	SUAGSXVHLXUTGQ-SECBINFHSA-N	-1	0	278.330	0.041	20	30		CCEDRM
CCO[N-]C(=O)CNC(=O)NCc1ccc(C#N)cc1	ZINC000845544748	615365000	/nfs/dbraw/zinc/36/50/00/615365000.db2.gz	AYENEXGJCNLAKS-UHFFFAOYSA-N	-1	0	276.296	0.425	20	30		CCEDRM
CC[C@@H](C#N)C(=O)N1CCSC[C@H]1c1nnn[n-]1	ZINC000907479956	615365516	/nfs/dbraw/zinc/36/55/16/615365516.db2.gz	JVYDTWIHJKTCJI-YUMQZZPRSA-N	-1	0	266.330	0.366	20	30		CCEDRM
CCOC(=O)[C@H]1CCCN(C(=O)[C@](C)(C#N)CC(=O)[O-])C1	ZINC000820364589	615370664	/nfs/dbraw/zinc/37/06/64/615370664.db2.gz	OPRMUPTZHLCZRQ-HZMBPMFUSA-N	-1	0	296.323	0.793	20	30		CCEDRM
CC[C@@H](C)NC(=O)COC(=O)[C@@](C)(C#N)CC(=O)[O-]	ZINC000820266296	615460087	/nfs/dbraw/zinc/46/00/87/615460087.db2.gz	FBAHOPAYASGKNL-PRHODGIISA-N	-1	0	270.285	0.449	20	30		CCEDRM
CC[C@@H](O)CCCNC(=O)[C@@](C)(C#N)CC(=O)[O-]	ZINC000820285088	615539697	/nfs/dbraw/zinc/53/96/97/615539697.db2.gz	PKBHJVIXYGUBJE-BXKDBHETSA-N	-1	0	256.302	0.658	20	30		CCEDRM
CC[C@@](C)(C#N)C(=O)N1C[C@H]2COCC[C@@]2(C(=O)[O-])C1	ZINC000923072588	615587971	/nfs/dbraw/zinc/58/79/71/615587971.db2.gz	IQPRLAZABITCNM-LEWSCRJBSA-N	-1	0	280.324	0.876	20	30		CCEDRM
CN(C(=O)[O-])[C@@H]1CCN(C(=O)c2cc(C#N)cn2C)C1	ZINC000827865583	615844007	/nfs/dbraw/zinc/84/40/07/615844007.db2.gz	RFQMWRMKSUAUNM-SNVBAGLBSA-N	-1	0	276.296	0.721	20	30		CCEDRM
CCc1oc(C(=O)[O-])cc1S(=O)(=O)NCC#N	ZINC000833682197	615871014	/nfs/dbraw/zinc/87/10/14/615871014.db2.gz	DPQWUGHVFYDEMK-UHFFFAOYSA-N	-1	0	258.255	0.342	20	30		CCEDRM
CN(C)c1nccc(N=NCCCNC(=O)[O-])n1	ZINC000828080986	616037085	/nfs/dbraw/zinc/03/70/85/616037085.db2.gz	KSSSYVWIZVEKDE-UHFFFAOYSA-N	-1	0	252.278	0.598	20	30		CCEDRM
CN(CC(=O)N[C@](C)(C#N)C1CC1)[C@@H]1CCN(C(=O)[O-])C1	ZINC000828102867	616049392	/nfs/dbraw/zinc/04/93/92/616049392.db2.gz	QNLQKUBMKKAEHO-BXUZGUMPSA-N	-1	0	294.355	0.479	20	30		CCEDRM
CN1C(=O)CC[C@H](/N=C/c2cc([N+](=O)[O-])ccc2[O-])C1=O	ZINC000818995116	616130476	/nfs/dbraw/zinc/13/04/76/616130476.db2.gz	PWJKKPDEYWNSMT-UQDQQJHMSA-N	-1	0	291.263	0.867	20	30		CCEDRM
CN(Cc1cc[nH]n1)C(=O)[C@](C)(C#N)CC(=O)[O-]	ZINC000820602244	616165773	/nfs/dbraw/zinc/16/57/73/616165773.db2.gz	RARBKUNAGYHLSC-NSHDSACASA-N	-1	0	250.258	0.373	20	30		CCEDRM
CN1CC[C@@H](C(=O)[N-]Oc2cccc(C#N)c2)S1(=O)=O	ZINC000870690517	616266822	/nfs/dbraw/zinc/26/68/22/616266822.db2.gz	QFXGKDCSKLSQPU-NSHDSACASA-N	-1	0	295.320	0.002	20	30		CCEDRM
COC(=O)[C@@H]1CCN(C(=O)[C@@](C)(C#N)CC(=O)[O-])C1	ZINC000820660374	616301941	/nfs/dbraw/zinc/30/19/41/616301941.db2.gz	DEBDTSKFPLXIDL-PRHODGIISA-N	-1	0	268.269	0.012	20	30		CCEDRM
COC(=O)C(C)(C)CC=Nn1c(=O)c(C)n[n-]c1=S	ZINC000814724091	616334548	/nfs/dbraw/zinc/33/45/48/616334548.db2.gz	HPDGMZBDURAPQS-UHFFFAOYSA-N	-1	0	284.341	0.659	20	30		CCEDRM
COCC(C)=CC(=O)C(C#N)=C([O-])c1nccn1C	ZINC000845491830	616386380	/nfs/dbraw/zinc/38/63/80/616386380.db2.gz	RDHZJSHSKSFROZ-MBACFSSFSA-N	-1	0	261.281	0.904	20	30		CCEDRM
COC(=O)C1CCN(C(=O)[C@](C)(C#N)CC(=O)[O-])CC1	ZINC000820660998	616466777	/nfs/dbraw/zinc/46/67/77/616466777.db2.gz	QJUBCWZLFMEFJX-ZDUSSCGKSA-N	-1	0	282.296	0.403	20	30		CCEDRM
COCCNC(=O)C(C#N)=C([O-])c1cccn2nccc12	ZINC000892491816	616491603	/nfs/dbraw/zinc/49/16/03/616491603.db2.gz	NTMRHRHYPZYTLX-NSHDSACASA-N	-1	0	286.291	0.419	20	30		CCEDRM
COCCNC(=O)C(C#N)=C([O-])c1cc(C)cnc1F	ZINC000870136145	616491887	/nfs/dbraw/zinc/49/18/87/616491887.db2.gz	IFEWIWGNJTYPCZ-JTQLQIEISA-N	-1	0	279.271	0.614	20	30		CCEDRM
COC1CC(C(=O)[N-]S(=O)(=O)c2cncc(C#N)c2)C1	ZINC000860785162	616499619	/nfs/dbraw/zinc/49/96/19/616499619.db2.gz	NVOJLEHFTXWDOT-UHFFFAOYSA-N	-1	0	295.320	0.183	20	30		CCEDRM
CNC(=O)C1CCC(NC(=O)[C@](C)(C#N)CC(=O)[O-])CC1	ZINC000820631422	616552140	/nfs/dbraw/zinc/55/21/40/616552140.db2.gz	VIEZUTKRQKEBGT-FDZGAKKTSA-N	-1	0	295.339	0.412	20	30		CCEDRM
COC(=O)[C@H](C)[C@H](C)S(=O)(=O)[N-]C(=O)CCCC#N	ZINC000813085569	616588125	/nfs/dbraw/zinc/58/81/25/616588125.db2.gz	LICNWGPSGKAQKJ-BDAKNGLRSA-N	-1	0	290.341	0.324	20	30		CCEDRM
COC(=O)[C@H](C)n1cccc1C=Nn1c(=O)[n-][nH]c1=O	ZINC000814230980	616588432	/nfs/dbraw/zinc/58/84/32/616588432.db2.gz	GHRINSSDJDQXRW-ZETCQYMHSA-N	-1	0	279.256	0.107	20	30		CCEDRM
COC[C@H](C)S(=O)(=O)[N-]C(=O)c1ccc(C#N)cc1C	ZINC000129854945	616630336	/nfs/dbraw/zinc/63/03/36/616630336.db2.gz	NKGYMKLSIYAVSS-JTQLQIEISA-N	-1	0	296.348	0.961	20	30		CCEDRM
COC[C@@H](C#N)OC(=O)CN(C[C@H]1CCCO1)C(=O)[O-]	ZINC000833882842	616773798	/nfs/dbraw/zinc/77/37/98/616773798.db2.gz	QHXKKTXROKFABJ-NXEZZACHSA-N	-1	0	286.284	0.227	20	30		CCEDRM
COC[C@](C)(C#N)NC(=O)[C@H]1CCN(C(=O)[O-])C1	ZINC000828885688	616817177	/nfs/dbraw/zinc/81/71/77/616817177.db2.gz	LPJXGRFEFJBQMG-KWQFWETISA-N	-1	0	255.274	0.031	20	30		CCEDRM
COC[C@](C)(C#N)NC(=O)[C@@H]1CC[C@H](NC(=O)[O-])C1	ZINC000828886422	616817343	/nfs/dbraw/zinc/81/73/43/616817343.db2.gz	VNSLAGMXERSPTK-PTRXPTGYSA-N	-1	0	269.301	0.468	20	30		CCEDRM
COC[C@](C)(CC(=O)[O-])NC(=O)c1ccc(C#N)cn1	ZINC000831563639	616818950	/nfs/dbraw/zinc/81/89/50/616818950.db2.gz	QPGNGSMQCMBVNG-ZDUSSCGKSA-N	-1	0	277.280	0.563	20	30		CCEDRM
CNC(=O)[C@H](C#N)C(=O)[C@@H]1CCC[C@H](NC(=O)[O-])C1	ZINC000828520983	616838609	/nfs/dbraw/zinc/83/86/09/616838609.db2.gz	RRRKWSCWXJBHPN-HRDYMLBCSA-N	-1	0	267.285	0.268	20	30		CCEDRM
COCCCC(=O)N1CCN(C(=O)[O-])C[C@H]1C#N	ZINC000828945223	616852976	/nfs/dbraw/zinc/85/29/76/616852976.db2.gz	OQVOJLFWSRTLPT-SECBINFHSA-N	-1	0	255.274	0.127	20	30		CCEDRM
COCCCNC(=O)C(C#N)=C([O-])c1nc(C)oc1C	ZINC000815904813	616898736	/nfs/dbraw/zinc/89/87/36/616898736.db2.gz	QNQDMFVEBCDLAR-JTQLQIEISA-N	-1	0	279.296	0.767	20	30		CCEDRM
COC(=O)c1ccc(O)c(C=NNc2cnnn2C)c1	ZINC000814980526	616918214	/nfs/dbraw/zinc/91/82/14/616918214.db2.gz	DKYSBPQEIWMYDW-UHFFFAOYSA-N	-1	0	275.268	0.753	20	30		CCEDRM
CNC(=S)NN=Cc1ccc(NC(=O)[O-])nc1	ZINC000828573992	616931779	/nfs/dbraw/zinc/93/17/79/616931779.db2.gz	ZBXWCNUVKOTUBK-UHFFFAOYSA-N	-1	0	253.287	0.599	20	30		CCEDRM
COCCN(CCC#N)C(=O)Nc1ccn(CC(=O)[O-])n1	ZINC000831725118	616992033	/nfs/dbraw/zinc/99/20/33/616992033.db2.gz	OPZYAIDKNYETNZ-UHFFFAOYSA-N	-1	0	295.299	0.362	20	30		CCEDRM
CO[C@H](C(=O)[O-])C(=O)N[C@H](C)c1cccc(C#N)c1	ZINC000902728933	616994974	/nfs/dbraw/zinc/99/49/74/616994974.db2.gz	CNWCGIJEXBZPCE-KCJUWKMLSA-N	-1	0	262.265	0.835	20	30		CCEDRM
COC[C@@](C)(C#N)NC(=O)C1CCN(C(=O)[O-])CC1	ZINC000828886404	617010858	/nfs/dbraw/zinc/01/08/58/617010858.db2.gz	VDACFPVIUZSFOD-GFCCVEGCSA-N	-1	0	269.301	0.421	20	30		CCEDRM
CON=C(C(=O)[N-]OCC1CCC1)c1csc(N)n1	ZINC000824735790	617102899	/nfs/dbraw/zinc/10/28/99/617102899.db2.gz	HUUZIZNWXWBWDB-UHFFFAOYSA-N	-1	0	284.341	0.924	20	30		CCEDRM
CO[C@@H](CC(=O)[N-]S(=O)(=O)CCC#N)C(F)(F)F	ZINC000845561596	617161677	/nfs/dbraw/zinc/16/16/77/617161677.db2.gz	VHNXTGIFSDACEL-LURJTMIESA-N	-1	0	288.247	0.313	20	30		CCEDRM
Cc1csc(C(C#N)=C([O-])c2cn(C)c(=O)n2C)n1	ZINC000892418050	623197088	/nfs/dbraw/zinc/19/70/88/623197088.db2.gz	OTFUBNVLVDKYQN-MRVPVSSYSA-N	-1	0	276.321	0.979	20	30		CCEDRM
Cc1cnc2c(C([O-])=C(C#N)C(=O)N3CCCC3)cnn2c1	ZINC000892458231	623288041	/nfs/dbraw/zinc/28/80/41/623288041.db2.gz	VTQFKGXWTUBRHB-NSHDSACASA-N	-1	0	297.318	0.983	20	30		CCEDRM
C#CCCCCC(=O)[N-]S(=O)(=O)Cc1ccon1	ZINC000180775328	623624719	/nfs/dbraw/zinc/62/47/19/623624719.db2.gz	ODARPZCSBBMZAR-UHFFFAOYSA-N	-1	0	270.310	0.814	20	30		CCEDRM
Cc1n[nH]c(C(=O)N[C@@H](C)[C@@H]2CCCN(CC#N)C2)c1[O-]	ZINC001025384162	623741829	/nfs/dbraw/zinc/74/18/29/623741829.db2.gz	AMWIRTBVFQTJMX-GXSJLCMTSA-N	-1	0	291.355	0.778	20	30		CCEDRM
COCCNC(=O)C(C#N)=C([O-])c1cc(C(C)C)n(C)n1	ZINC000177597493	624691204	/nfs/dbraw/zinc/69/12/04/624691204.db2.gz	KPSAGRGRYCAWPK-SNVBAGLBSA-N	-1	0	292.339	0.629	20	30		CCEDRM
C[C@H](NC(=O)c1ccoc1)C(=O)[N-]S(C)(=O)=O	ZINC000048480989	624784724	/nfs/dbraw/zinc/78/47/24/624784724.db2.gz	LJPNRPPRIRMATD-LURJTMIESA-N	-1	0	260.271	0.314	20	30		CCEDRM
N#Cc1cccc(S(=O)(=O)[N-]C(=O)[C@@H]2COCCO2)c1	ZINC000048519535	624784821	/nfs/dbraw/zinc/78/48/21/624784821.db2.gz	LKIJGEVQVFBJOY-NSHDSACASA-N	-1	0	296.304	0.619	20	30		CCEDRM
CS(=O)(=O)[N-]C(=O)CSc1nnnn1C1CC1	ZINC000048480470	624785620	/nfs/dbraw/zinc/78/56/20/624785620.db2.gz	XYFUFJGSCPFHEY-UHFFFAOYSA-N	-1	0	277.331	0.016	20	30		CCEDRM
C[C@@]1(C#N)CN(CC(=O)[N-]OCc2ccccc2)CCO1	ZINC000933603224	624907312	/nfs/dbraw/zinc/90/73/12/624907312.db2.gz	BUCZJVRWXXCCNC-OAHLLOKOSA-N	-1	0	289.335	0.849	20	30		CCEDRM
C[C@H](C#N)OCCN1c2ccccc2C([O-])=CS1(=O)=O	ZINC000902660359	634427154	/nfs/dbraw/zinc/42/71/54/634427154.db2.gz	RLHUQNLDDVSYJD-SNVBAGLBSA-N	-1	0	294.332	0.948	20	30		CCEDRM
N#Cc1ccc(F)c(CNC(=O)[C@H]2CC[C@@H](C(=O)[O-])O2)c1	ZINC000902812867	634468826	/nfs/dbraw/zinc/46/88/26/634468826.db2.gz	ZTKMGEVJKQINLX-NEPJUHHUSA-N	-1	0	292.266	0.946	20	30		CCEDRM
C=CCN(CC(=O)[O-])C(=O)NCCOCC(=C)C	ZINC000164159346	631759126	/nfs/dbraw/zinc/75/91/26/631759126.db2.gz	URWBFGZSIFLCSP-UHFFFAOYSA-N	-1	0	256.302	0.861	20	30		CCEDRM
Cc1n[nH]c(C(=O)NC[C@@H]2CCCCCN2CC#N)c1[O-]	ZINC000968815788	650030604	/nfs/dbraw/zinc/03/06/04/650030604.db2.gz	DUSCIOUSEWSCOZ-NSHDSACASA-N	-1	0	291.355	0.922	20	30		CCEDRM
C=CCN(CC(=O)[O-])C(=O)CCn1cc([N+](=O)[O-])cn1	ZINC000191260017	633333362	/nfs/dbraw/zinc/33/33/62/633333362.db2.gz	USRVEYADRRGLPV-UHFFFAOYSA-N	-1	0	282.256	0.281	20	30		CCEDRM
O=C([O-])C#C[C@@H]1CCCN(S(=O)(=O)CCCCF)C1	ZINC000899926948	633923722	/nfs/dbraw/zinc/92/37/22/633923722.db2.gz	QGMMUPGNBMOODY-NSHDSACASA-N	-1	0	291.344	0.866	20	30		CCEDRM
O=C([O-])c1coc(C=NNC(=S)NC[C@H]2CCCO2)c1	ZINC000901134490	634196707	/nfs/dbraw/zinc/19/67/07/634196707.db2.gz	XJKCVMJBYOWNQB-SECBINFHSA-N	-1	0	297.336	0.955	20	30		CCEDRM
Cn1nc(C(=O)[O-])cc1C=NNCC(C)(C)CO	ZINC000901235113	634212083	/nfs/dbraw/zinc/21/20/83/634212083.db2.gz	UPDLKXLSGAKQGU-UHFFFAOYSA-N	-1	0	254.290	0.060	20	30		CCEDRM
O=c1[n-][nH]c(=O)n1N=Cc1ccc2c(c1)CCCO2	ZINC000901245429	634214341	/nfs/dbraw/zinc/21/43/41/634214341.db2.gz	HDEHTHQRYGLQQQ-UHFFFAOYSA-N	-1	0	260.253	0.897	20	30		CCEDRM
Cn1cc(C(=O)[O-])cc1C=NN[C@@H]1CCCOC1	ZINC000901222656	634215404	/nfs/dbraw/zinc/21/54/04/634215404.db2.gz	OHVFCJOPXMBTGA-SNVBAGLBSA-N	-1	0	251.286	0.826	20	30		CCEDRM
N#CC1CN(S(=O)(=O)c2ccc(CCC(=O)[O-])cc2)C1	ZINC000906999068	635060733	/nfs/dbraw/zinc/06/07/33/635060733.db2.gz	RNJDYCSHUOMQNE-UHFFFAOYSA-N	-1	0	294.332	0.848	20	30		CCEDRM
C=C[C@@H](O)C(=O)Nc1nc(CCC(=O)[O-])cs1	ZINC000910645594	635815289	/nfs/dbraw/zinc/81/52/89/635815289.db2.gz	GNFANRREVLUQEB-SSDOTTSWSA-N	-1	0	256.283	0.646	20	30		CCEDRM
C=C[C@@H](O)C(=O)Nc1nc2c(s1)CC[C@H](C(=O)[O-])C2	ZINC000910676809	635821656	/nfs/dbraw/zinc/82/16/56/635821656.db2.gz	IUMMQUXXUIOSJY-POYBYMJQSA-N	-1	0	282.321	0.818	20	30		CCEDRM
C#CC1CCN(C(=O)c2cnc(C(=O)[O-])cn2)CC1	ZINC000911405855	636256262	/nfs/dbraw/zinc/25/62/62/636256262.db2.gz	FYBOIEUMNLCLNU-UHFFFAOYSA-N	-1	0	259.265	0.660	20	30		CCEDRM
C#C[C@@H](NC(=O)c1ccnc(C(=O)[O-])c1)[C@H]1CCCO1	ZINC000911577947	636297748	/nfs/dbraw/zinc/29/77/48/636297748.db2.gz	GEUJDDSNSLVNNN-ZYHUDNBSSA-N	-1	0	274.276	0.690	20	30		CCEDRM
Cc1cc(-n2cncn2)ccc1C(=O)[N-]S(C)(=O)=O	ZINC000076758564	637054035	/nfs/dbraw/zinc/05/40/35/637054035.db2.gz	HOEUEADPTBWMKN-UHFFFAOYSA-N	-1	0	280.309	0.840	20	30		CCEDRM
CS(=O)(=O)[N-]C(=O)c1ccccc1Cn1cncn1	ZINC000076758447	637054199	/nfs/dbraw/zinc/05/41/99/637054199.db2.gz	WMIPFNUUZCLPSD-UHFFFAOYSA-N	-1	0	280.309	0.591	20	30		CCEDRM
C#C[C@H](CCC)NC(=O)NCC1(C(=O)[O-])CCOCC1	ZINC000230018950	637143217	/nfs/dbraw/zinc/14/32/17/637143217.db2.gz	AVIJHCDVPPEXRO-LLVKDONJSA-N	-1	0	282.340	0.969	20	30		CCEDRM
C=CCCOCCNC(=O)N1CCO[C@H](CC(=O)[O-])C1	ZINC000231836252	637230576	/nfs/dbraw/zinc/23/05/76/637230576.db2.gz	SZDFYMRFXIWVKX-LLVKDONJSA-N	-1	0	286.328	0.464	20	30		CCEDRM
C[C@H](CO)N(C)N=Cc1ccccc1OCC(=O)[O-]	ZINC000842544937	637343179	/nfs/dbraw/zinc/34/31/79/637343179.db2.gz	MCTFSOLFKXBGSG-SNVBAGLBSA-N	-1	0	266.297	0.797	20	30		CCEDRM
Cc1nnc([S-])n(N=Cc2ccc(O)cc2)c1=O	ZINC000916303638	637896304	/nfs/dbraw/zinc/89/63/04/637896304.db2.gz	JCYNNEOFXAKJAL-UHFFFAOYSA-N	-1	0	262.294	0.823	20	30		CCEDRM
O=C1[N-]C(=O)C(=NNc2ccc(F)cc2Cl)C(=O)N1	ZINC000916626284	637910824	/nfs/dbraw/zinc/91/08/24/637910824.db2.gz	IGEUZFUUMVFJKH-UHFFFAOYSA-N	-1	0	284.634	0.613	20	30		CCEDRM
Cc1cc2nc(C)cc(C([O-])=C(C#N)C(=O)NC3CC3)n2n1	ZINC000917427625	637969762	/nfs/dbraw/zinc/96/97/62/637969762.db2.gz	ZOINADJYXZFJGY-LLVKDONJSA-N	-1	0	297.318	0.947	20	30		CCEDRM
Cc1n[nH]c(C(=O)NC2CCN(CC#N)CC2)c1[O-]	ZINC001002607216	639431635	/nfs/dbraw/zinc/43/16/35/639431635.db2.gz	NNFRBCMXFIFBMC-UHFFFAOYSA-N	-1	0	263.301	0.142	20	30		CCEDRM
Cc1[nH]nc(C(=O)N(C)C2CCN(CC#N)CC2)c1[O-]	ZINC001005255522	639893624	/nfs/dbraw/zinc/89/36/24/639893624.db2.gz	IZANYZTWBHXECI-UHFFFAOYSA-N	-1	0	277.328	0.484	20	30		CCEDRM
N#C[C@]1(C(=O)NCCCCC(=O)[O-])CCCOC1	ZINC000923055678	640010429	/nfs/dbraw/zinc/01/04/29/640010429.db2.gz	FJLKNJGYBPHFDM-GFCCVEGCSA-N	-1	0	254.286	0.678	20	30		CCEDRM
N#C[C@@]1(C(=O)N2CCO[C@@H](CC(=O)[O-])C2)CCCOC1	ZINC000923063946	640013192	/nfs/dbraw/zinc/01/31/92/640013192.db2.gz	FJJOUFDPOLGLRO-GWCFXTLKSA-N	-1	0	282.296	0.009	20	30		CCEDRM
N#C[C@]1(C(=O)N2CCC[C@H]2CC(=O)[O-])CCCOC1	ZINC000923079105	640018725	/nfs/dbraw/zinc/01/87/25/640018725.db2.gz	NLTAHQMNHDFKIU-GXFFZTMASA-N	-1	0	266.297	0.772	20	30		CCEDRM
N#C[C@@]1(C(=O)N2CCC[C@@H]2CC(=O)[O-])CCCOC1	ZINC000923079107	640018868	/nfs/dbraw/zinc/01/88/68/640018868.db2.gz	NLTAHQMNHDFKIU-MFKMUULPSA-N	-1	0	266.297	0.772	20	30		CCEDRM
N#C[C@]1(C(=O)N[C@H]2C[C@@H](C(=O)[O-])C2)CCCOC1	ZINC000923084509	640018992	/nfs/dbraw/zinc/01/89/92/640018992.db2.gz	YIVHNATTXOKFNJ-VDDIYKPWSA-N	-1	0	252.270	0.286	20	30		CCEDRM
N#C[C@@]1(C(=O)N[C@@H]2CC=C(C(=O)[O-])C2)CCCOC1	ZINC000923098122	640021401	/nfs/dbraw/zinc/02/14/01/640021401.db2.gz	GETHRTMJIYGHDU-MFKMUULPSA-N	-1	0	264.281	0.596	20	30		CCEDRM
N#CC1(C(=O)NC[C@H]2[C@@H](C(=O)[O-])C2(F)F)CCC1	ZINC000923099640	640022445	/nfs/dbraw/zinc/02/24/45/640022445.db2.gz	MGRPYLKYCXTBBG-BQBZGAKWSA-N	-1	0	258.224	0.762	20	30		CCEDRM
Cc1oc(C#N)cc1C(=O)[N-]S(=O)(=O)c1ccccn1	ZINC000797950594	640471739	/nfs/dbraw/zinc/47/17/39/640471739.db2.gz	YTKJLWPMVJFUNM-UHFFFAOYSA-N	-1	0	291.288	0.973	20	30		CCEDRM
N#Cc1cc(F)cc(C2(C(=O)[N-]OCCO)CC2)c1	ZINC000803121416	640716677	/nfs/dbraw/zinc/71/66/77/640716677.db2.gz	XWHPODRCQXIHNF-UHFFFAOYSA-N	-1	0	264.256	0.769	20	30		CCEDRM
Cc1cccc(CNC(=O)C(C#N)=C([O-])c2ncn(C)n2)c1	ZINC000810708693	640946551	/nfs/dbraw/zinc/94/65/51/640946551.db2.gz	WHKVPGAWTWGAKN-LBPRGKRZSA-N	-1	0	297.318	0.762	20	30		CCEDRM
CC#CCS(=O)(=O)[N-]C(=O)C1(C)CCOCC1	ZINC000810775414	640949505	/nfs/dbraw/zinc/94/95/05/640949505.db2.gz	FEWVVJMICKLBAG-UHFFFAOYSA-N	-1	0	259.327	0.272	20	30		CCEDRM
O=C1NC(=O)C(=N[N-]c2nccc3sccc32)C(=O)N1	ZINC000814218635	641060288	/nfs/dbraw/zinc/06/02/88/641060288.db2.gz	PQRNCWIDCISBFC-UHFFFAOYSA-N	-1	0	289.276	0.430	20	30		CCEDRM
O=c1[n-][nH]c(=O)n1N=CC1=Cc2ccccc2OC1	ZINC000814233025	641061983	/nfs/dbraw/zinc/06/19/83/641061983.db2.gz	XUSKIGGYWMSUHT-UHFFFAOYSA-N	-1	0	258.237	0.999	20	30		CCEDRM
O=c1[n-][nH]c(=O)n1N=Cc1c(O)cccc1Cl	ZINC000814233376	641062489	/nfs/dbraw/zinc/06/24/89/641062489.db2.gz	MWTBVLFDOXVBTC-UHFFFAOYSA-N	-1	0	254.633	0.931	20	30		CCEDRM
Cc1nnc(NN=C2CCCc3n[nH]cc32)[n-]c1=O	ZINC000814735133	641075923	/nfs/dbraw/zinc/07/59/23/641075923.db2.gz	ROAROIPEDJOZJJ-UHFFFAOYSA-N	-1	0	259.273	0.761	20	30		CCEDRM
O=C([O-])CNN=Cc1ccc(C(=O)NC2CC2)cc1	ZINC000814959001	641085128	/nfs/dbraw/zinc/08/51/28/641085128.db2.gz	FIFKGJIADJYUQR-UHFFFAOYSA-N	-1	0	261.281	0.587	20	30		CCEDRM
N#Cc1ccc([O-])c(NC(=O)CCn2cnccc2=O)c1	ZINC000815878172	641127280	/nfs/dbraw/zinc/12/72/80/641127280.db2.gz	WKNDRKSLXNGRMU-UHFFFAOYSA-N	-1	0	284.275	0.849	20	30		CCEDRM
C[C@](C#N)(CC(=O)[O-])C(=O)OCCCN1CCCC1=O	ZINC000819865365	641435790	/nfs/dbraw/zinc/43/57/90/641435790.db2.gz	KRNODRGMCWHHFT-CYBMUJFWSA-N	-1	0	282.296	0.547	20	30		CCEDRM
O=C(N[C@H]1CCCN(O)C1=O)c1ccc([O-])c([N+](=O)[O-])c1	ZINC000820482540	641511105	/nfs/dbraw/zinc/51/11/05/641511105.db2.gz	MMVLEVLJBQIMAF-QMMMGPOBSA-N	-1	0	295.251	0.410	20	30		CCEDRM
N#CCCS(=O)(=O)[N-]C(=O)Cc1ccccc1F	ZINC000821582065	641610586	/nfs/dbraw/zinc/61/05/86/641610586.db2.gz	BTDFIVDDCAOXPE-UHFFFAOYSA-N	-1	0	270.285	0.728	20	30		CCEDRM
N#CCCS(=O)(=O)[N-]C(=O)[C@@H]1CC1(Cl)Cl	ZINC000821583764	641611029	/nfs/dbraw/zinc/61/10/29/641611029.db2.gz	HAYRKUHDQCMHLV-YFKPBYRVSA-N	-1	0	271.125	0.540	20	30		CCEDRM
N#CCCS(=O)(=O)[N-]C(=O)c1cccc2c1OCCO2	ZINC000821582632	641611165	/nfs/dbraw/zinc/61/11/65/641611165.db2.gz	SPORFNWRRMXINO-UHFFFAOYSA-N	-1	0	296.304	0.431	20	30		CCEDRM
Cc1ccccc1C(=O)[N-]S(=O)(=O)CCC#N	ZINC000821584156	641611715	/nfs/dbraw/zinc/61/17/15/641611715.db2.gz	STSBIDGMWHNCTL-UHFFFAOYSA-N	-1	0	252.295	0.968	20	30		CCEDRM
C#CCCCC(=O)[N-]S(=O)(=O)c1cc(C(=O)OC)co1	ZINC000845882222	643358553	/nfs/dbraw/zinc/35/85/53/643358553.db2.gz	DCQSZPHRSCSRAP-UHFFFAOYSA-N	-1	0	299.304	0.675	20	30		CCEDRM
O=C(N[C@@H]1CCCN(O)C1=O)c1s[n-]c(=O)c1Cl	ZINC000848133046	643601763	/nfs/dbraw/zinc/60/17/63/643601763.db2.gz	RUAQKOKRAXFGHN-SCSAIBSYSA-N	-1	0	291.716	0.612	20	30		CCEDRM
C[C@@H](CC(=O)[N-]S(=O)(=O)CCCC#N)[C@H]1CCCO1	ZINC000850926746	643822966	/nfs/dbraw/zinc/82/29/66/643822966.db2.gz	QWNQPMKSNPKWCI-WDEREUQCSA-N	-1	0	288.369	0.941	20	30		CCEDRM
N#Cc1cccnc1NCCNC(=O)N1CC(C(=O)[O-])C1	ZINC000857096845	644463756	/nfs/dbraw/zinc/46/37/56/644463756.db2.gz	HDPFMZGBWQBHIO-UHFFFAOYSA-N	-1	0	289.295	0.091	20	30		CCEDRM
C#CCCC[N-]S(=O)(=O)c1nn(C)cc1[N+](=O)[O-]	ZINC000859035836	644661210	/nfs/dbraw/zinc/66/12/10/644661210.db2.gz	KUIAGEPRUYQYTE-UHFFFAOYSA-N	-1	0	272.286	0.020	20	30		CCEDRM
CC1(C)C[C@H](C(=O)[N-]S(=O)(=O)CCC#N)C(C)(C)O1	ZINC000860751954	644826626	/nfs/dbraw/zinc/82/66/26/644826626.db2.gz	IMJMHWHEYLMUNZ-SECBINFHSA-N	-1	0	288.369	0.940	20	30		CCEDRM
Cc1nnc(C=NNc2nnc(C)c(=O)[n-]2)s1	ZINC000863067588	645059542	/nfs/dbraw/zinc/05/95/42/645059542.db2.gz	DDEBFKOUXZPCHT-UHFFFAOYSA-N	-1	0	251.275	0.492	20	30		CCEDRM
O=C(N[C@@H]1CCCN(O)C1=O)c1ncc2ccccn21	ZINC000868562028	645787220	/nfs/dbraw/zinc/78/72/20/645787220.db2.gz	BOAZTBDZEJSRRC-SNVBAGLBSA-N	-1	0	274.280	0.444	20	30		CCEDRM
N#Cc1cccc(O[N-]C(=O)[C@H]2CCCCS2(=O)=O)c1	ZINC000870692199	646017242	/nfs/dbraw/zinc/01/72/42/646017242.db2.gz	YHXMAPKITSJBAM-GFCCVEGCSA-N	-1	0	294.332	0.936	20	30		CCEDRM
N#Cc1cccc(O[N-]C(=O)[C@@H]2CCCCS2(=O)=O)c1	ZINC000870692200	646017584	/nfs/dbraw/zinc/01/75/84/646017584.db2.gz	YHXMAPKITSJBAM-LBPRGKRZSA-N	-1	0	294.332	0.936	20	30		CCEDRM
Cc1cc(C(=O)[O-])cc(S(=O)(=O)N2CC(C#N)C2)c1F	ZINC000871967377	646200477	/nfs/dbraw/zinc/20/04/77/646200477.db2.gz	NKTZADCSVXIQFE-UHFFFAOYSA-N	-1	0	298.295	0.976	20	30		CCEDRM
N#CC(C(=O)NC1CC1)=C([O-])c1ccc(-n2ccnn2)cc1	ZINC000127862942	647078494	/nfs/dbraw/zinc/07/84/94/647078494.db2.gz	ZFJQDDUGFLJLMD-CYBMUJFWSA-N	-1	0	295.302	0.868	20	30		CCEDRM
C#CC[C@@H](CO)NS(=O)(=O)c1cccc(Cl)c1[O-]	ZINC000882340237	647398742	/nfs/dbraw/zinc/39/87/42/647398742.db2.gz	RLMUUQRVBLWCNS-QMMMGPOBSA-N	-1	0	289.740	0.708	20	30		CCEDRM
C#CCSCC(=O)Nc1ncc(C(=O)OCC)[n-]1	ZINC000890437840	648299135	/nfs/dbraw/zinc/29/91/35/648299135.db2.gz	QITQLSLWUPPXNQ-UHFFFAOYSA-N	-1	0	267.310	0.891	20	30		CCEDRM
N#CCN1CCN(C(=O)c2cc(F)cc(F)c2[O-])CC1	ZINC000933236158	649114591	/nfs/dbraw/zinc/11/45/91/649114591.db2.gz	FPCDHDYQFCMBRA-UHFFFAOYSA-N	-1	0	281.262	0.952	20	30		CCEDRM
Cn1cc(S(=O)(=O)[N-]C(=O)C2CCCC2)cc1C(N)=O	ZINC000042345801	649287894	/nfs/dbraw/zinc/28/78/94/649287894.db2.gz	GSGGVCNXURRHGT-UHFFFAOYSA-N	-1	0	299.352	0.959	20	30		CCEDRM
C=CCN(CC(=O)[O-])C(=O)C(=O)c1c(C)nn(C)c1C	ZINC000191269313	649470597	/nfs/dbraw/zinc/47/05/97/649470597.db2.gz	LRNRDBQZWKFYIK-UHFFFAOYSA-N	-1	0	279.296	0.319	20	30		CCEDRM
CNC(=O)C(C#N)=C([O-])c1cncc(Br)c1	ZINC000193634022	649551159	/nfs/dbraw/zinc/55/11/59/649551159.db2.gz	HMFHMBJWGICMGA-MRVPVSSYSA-N	-1	0	282.097	0.913	20	30		CCEDRM
N#CCCCS(=O)(=O)[N-]C(=O)c1ccnc(C#N)c1	ZINC000193689389	649555120	/nfs/dbraw/zinc/55/51/20/649555120.db2.gz	NTDYNAOZIDFJCJ-UHFFFAOYSA-N	-1	0	278.293	0.317	20	30		CCEDRM
N#Cc1cccc(CS(=O)(=O)[N-]C(=O)C2CC2)c1	ZINC000195496296	649601906	/nfs/dbraw/zinc/60/19/06/649601906.db2.gz	GVGGPKNAZKSXNK-UHFFFAOYSA-N	-1	0	264.306	0.914	20	30		CCEDRM
C=C[C@@H](COC)NC(=O)N1CCC(C(=O)[O-])CC1	ZINC001588451298	958408804	/nfs/dbraw/zinc/40/88/04/958408804.db2.gz	ROYJZDXMENMJII-JTQLQIEISA-N	-1	0	256.302	0.694	20	30		CCEDRM
N#C[C@@H]1CN(Cc2ccc(C(=O)[O-])cc2O)CCO1	ZINC001231453117	805806932	/nfs/dbraw/zinc/80/69/32/805806932.db2.gz	CCSLDKRLTXXNOL-LLVKDONJSA-N	-1	0	262.265	0.815	20	30		CCEDRM
O=C([O-])C(=O)NC(=NO)c1ccc(OC(F)(F)F)cc1	ZINC001143420949	791451006	/nfs/dbraw/zinc/45/10/06/791451006.db2.gz	OSHFKBHVQQLKHU-UHFFFAOYSA-N	-1	0	292.169	0.922	20	30		CCEDRM
C=CCOC(=O)N1CCC(CNC(=O)C(=O)[O-])CC1	ZINC001143429871	791485864	/nfs/dbraw/zinc/48/58/64/791485864.db2.gz	WVXFMPAXGIBLIU-UHFFFAOYSA-N	-1	0	270.285	0.222	20	30		CCEDRM
C#C[C@@H]1CCCN(C(=O)[C@H]2CC[C@@H](C(=O)[O-])O2)C1	ZINC000692389041	791664282	/nfs/dbraw/zinc/66/42/82/791664282.db2.gz	DYMXRYRTSZUOPZ-MXWKQRLJSA-N	-1	0	251.282	0.490	20	30		CCEDRM
CC[C@H](O)C(=O)Oc1[n-]c(=O)nc2ccc(C#N)cc21	ZINC001234529781	806267052	/nfs/dbraw/zinc/26/70/52/806267052.db2.gz	FSFBCSXARMQGAA-JTQLQIEISA-N	-1	0	273.248	0.883	20	30		CCEDRM
N#Cc1ccc2nc(=O)[n-]c(OC[C@@H]3COCO3)c2c1	ZINC001234529812	806268089	/nfs/dbraw/zinc/26/80/89/806268089.db2.gz	GCYGWANFDKSDLL-VIFPVBQESA-N	-1	0	273.248	0.959	20	30		CCEDRM
C=C(C)CCC(=O)N(C)C[C@@H]1CCN1Cc1n[nH]c(=O)[n-]1	ZINC001234604707	806284080	/nfs/dbraw/zinc/28/40/80/806284080.db2.gz	UEJWXVLWGREEOA-NSHDSACASA-N	-1	0	293.371	0.899	20	30		CCEDRM
C#C[C@H](C)N(C)c1nnc(-c2noc(=O)[nH]2)n1CC=C	ZINC001121579512	799058064	/nfs/dbraw/zinc/05/80/64/799058064.db2.gz	REIIVFAALLLKHY-QMMMGPOBSA-N	-1	0	274.284	0.265	20	30		CCEDRM
COc1nn(C)cc1C([O-])=C(C#N)C(=O)NC(C)C	ZINC001122547870	799260289	/nfs/dbraw/zinc/26/02/89/799260289.db2.gz	YWVLSBUXTVLQAF-QMMMGPOBSA-N	-1	0	264.285	0.276	20	30		CCEDRM
Cn1ccnc1C(=O)C(C#N)=C([O-])c1cncn1C	ZINC001122727296	799290997	/nfs/dbraw/zinc/29/09/97/799290997.db2.gz	DGGUNHQRWAPMAR-QMMMGPOBSA-N	-1	0	257.253	0.359	20	30		CCEDRM
C[C@H](CO[N-]C(=O)CC#N)NC(=O)OC(C)(C)C	ZINC001137598662	799675370	/nfs/dbraw/zinc/67/53/70/799675370.db2.gz	QWHRNDHNXQHSKX-MRVPVSSYSA-N	-1	0	257.290	0.861	20	30		CCEDRM
CC[C@@H](O)CCNC(=O)c1[n-]c(=O)c(C#N)cc1C	ZINC001149707571	800293193	/nfs/dbraw/zinc/29/31/93/800293193.db2.gz	DQCHSROYWGFHHE-SNVBAGLBSA-N	-1	0	263.297	0.858	20	30		CCEDRM
C#C[C@@H](NC(=O)Cn1c(=O)[n-][nH]c1=O)c1ccccc1	ZINC001163097398	802481442	/nfs/dbraw/zinc/48/14/42/802481442.db2.gz	XOWPNQOHOZPAAT-SNVBAGLBSA-N	-1	0	272.264	0.180	20	30		CCEDRM
CCc1nc(C#N)cc(N[C@H]2SC(=O)[N-]C2=O)n1	ZINC001163664789	802586374	/nfs/dbraw/zinc/58/63/74/802586374.db2.gz	KMXKLHYUZYUECD-VIFPVBQESA-N	-1	0	263.282	0.632	20	30		CCEDRM
N#Cc1c(F)cncc1N[C@H]1SC(=O)[N-]C1=O	ZINC001163672602	802588071	/nfs/dbraw/zinc/58/80/71/802588071.db2.gz	OGEOKJFFMHXHMQ-QMMMGPOBSA-N	-1	0	252.230	0.813	20	30		CCEDRM
CN1CCCC[C@H]1C(=O)Nc1nc(C#N)c(C#N)[n-]1	ZINC001163737406	802601332	/nfs/dbraw/zinc/60/13/32/802601332.db2.gz	KRVKGVRPHHYFAW-JTQLQIEISA-N	-1	0	258.285	0.576	20	30		CCEDRM
Cc1cc(C(=O)Nc2nc(C#N)c(C#N)[n-]2)c(C)nn1	ZINC001163737898	802601595	/nfs/dbraw/zinc/60/15/95/802601595.db2.gz	OKEGZJLASPAWQL-UHFFFAOYSA-N	-1	0	267.252	0.812	20	30		CCEDRM
N#CNC(=Nc1ccc(C(=O)[O-])nn1)c1ccncc1	ZINC001164505950	802751166	/nfs/dbraw/zinc/75/11/66/802751166.db2.gz	QODJCYCHKCRUOP-UHFFFAOYSA-N	-1	0	268.236	0.910	20	30		CCEDRM
CC(=O)Oc1ccc(NC(=N[O-])c2nonc2N)cc1	ZINC001212066481	814988516	/nfs/dbraw/zinc/98/85/16/814988516.db2.gz	SVTMHHVUGPPQEB-UHFFFAOYSA-N	-1	0	277.240	0.825	20	30		CCEDRM
N#Cc1ccc2nc(COC(=O)[C@H](O)CC(=O)[O-])cn2c1	ZINC001224037259	805005437	/nfs/dbraw/zinc/00/54/37/805005437.db2.gz	OKMWJCVFTGHLRE-SNVBAGLBSA-N	-1	0	289.247	0.085	20	30		CCEDRM
N#Cc1ccc(OC(=O)[C@H](O)CCC(=O)[O-])cn1	ZINC001225498209	805135480	/nfs/dbraw/zinc/13/54/80/805135480.db2.gz	WCFJDNBAWKBUGU-SECBINFHSA-N	-1	0	250.210	0.084	20	30		CCEDRM
C#C[C@@H](Oc1ccc(S(=O)(=O)[O-])cc1)C(=O)OCC	ZINC001225517532	805137543	/nfs/dbraw/zinc/13/75/43/805137543.db2.gz	JRGOLAQGMOXHRP-LLVKDONJSA-N	-1	0	284.289	0.877	20	30		CCEDRM
COc1ccc(C#N)cc1OC(=O)[C@H](O)CC(=O)[O-]	ZINC001225684012	805150740	/nfs/dbraw/zinc/15/07/40/805150740.db2.gz	HHYHXDNCJBWVDW-MRVPVSSYSA-N	-1	0	265.221	0.308	20	30		CCEDRM
CCC[C@@H](C#Cc1ccccc1)Oc1c([O-])c(=O)c(=O)c1=O	ZINC001225831052	805166531	/nfs/dbraw/zinc/16/65/31/805166531.db2.gz	PXDLXCXJIJSQKT-LBPRGKRZSA-N	-1	0	298.294	0.948	20	30		CCEDRM
Cc1nc(O[C@@H]2CCN(CC#N)C2)c(F)c(=O)[n-]1	ZINC001226422913	805229510	/nfs/dbraw/zinc/22/95/10/805229510.db2.gz	CMDSXTSYLSQDKV-MRVPVSSYSA-N	-1	0	252.249	0.606	20	30		CCEDRM
O=C1C=C[C@@H](Oc2[n-]c(=O)nnc2Br)C1	ZINC001227066317	805317231	/nfs/dbraw/zinc/31/72/31/805317231.db2.gz	HZMXYXGPWJXMPJ-RXMQYKEDSA-N	-1	0	272.058	0.616	20	30		CCEDRM
C=CCOC[C@@H](CS(=O)(=O)[O-])Oc1ncc(F)cn1	ZINC001228849258	805483908	/nfs/dbraw/zinc/48/39/08/805483908.db2.gz	MFCDXCBXZXJRHO-VIFPVBQESA-N	-1	0	292.288	0.454	20	30		CCEDRM
N#Cc1ccc(=O)[n-]c1O[C@@H]1CCS(=O)(=O)C1	ZINC001228900698	805487749	/nfs/dbraw/zinc/48/77/49/805487749.db2.gz	HCKWEJHXTIWQIN-MRVPVSSYSA-N	-1	0	254.267	0.225	20	30		CCEDRM
C#C[C@@H](Oc1cc(O)cc([O-])c1[N+](=O)[O-])C(=O)OCC	ZINC001228972831	805493550	/nfs/dbraw/zinc/49/35/50/805493550.db2.gz	DQYILEYZDKDSPJ-SECBINFHSA-N	-1	0	281.220	0.950	20	30		CCEDRM
N#Cc1ccc(OC(=O)[C@H](O)CC(=O)[O-])c(C#N)c1	ZINC001229035093	805498982	/nfs/dbraw/zinc/49/89/82/805498982.db2.gz	AVNSTYAOYXNGAL-SECBINFHSA-N	-1	0	260.205	0.171	20	30		CCEDRM
N#Cc1ncc([N-]S(=O)(=O)CC(F)(F)F)cn1	ZINC001253119113	808006880	/nfs/dbraw/zinc/00/68/80/808006880.db2.gz	ZFGCNJCCZWDYNX-UHFFFAOYSA-N	-1	0	266.204	0.652	20	30		CCEDRM
C#CCOCCOCc1cn(CCCCC(=O)[O-])nn1	ZINC001254081753	808178179	/nfs/dbraw/zinc/17/81/79/808178179.db2.gz	RRBQLVSCKCQSMI-UHFFFAOYSA-N	-1	0	281.312	0.699	20	30		CCEDRM
C=CC[C@@H](NC(=O)c1ccc2nncn2c1)C(=O)[O-]	ZINC001256551363	808533296	/nfs/dbraw/zinc/53/32/96/808533296.db2.gz	QNMPPTIMJSDXJQ-SECBINFHSA-N	-1	0	260.253	0.488	20	30		CCEDRM
Cc1nc(C#N)ccc1[N-]S(=O)(=O)c1cn(C)cn1	ZINC001258994308	808709752	/nfs/dbraw/zinc/70/97/52/808709752.db2.gz	UHDRQCDFOSOORS-UHFFFAOYSA-N	-1	0	277.309	0.796	20	30		CCEDRM
COC(=O)CS(=O)(=O)[N-]c1c(C)cccc1C#N	ZINC001259026213	808723631	/nfs/dbraw/zinc/72/36/31/808723631.db2.gz	LEAVRRSPFPQHIM-UHFFFAOYSA-N	-1	0	268.294	0.781	20	30		CCEDRM
COC(=O)CS(=O)(=O)[N-]c1ccc(C#N)c(F)c1F	ZINC001259026040	808723867	/nfs/dbraw/zinc/72/38/67/808723867.db2.gz	GLUCNVWOLGZXAQ-UHFFFAOYSA-N	-1	0	290.247	0.751	20	30		CCEDRM
N#Cc1cnoc1[N-]S(=O)(=O)c1ccccn1	ZINC001259282733	808748810	/nfs/dbraw/zinc/74/88/10/808748810.db2.gz	YALXTXXTJAEXON-UHFFFAOYSA-N	-1	0	250.239	0.742	20	30		CCEDRM
CCn1cc(S(=O)(=O)[N-]c2cnn(C)c2C#N)cn1	ZINC001259833449	808783409	/nfs/dbraw/zinc/78/34/09/808783409.db2.gz	RGWHWNCVTDYZDG-UHFFFAOYSA-N	-1	0	280.313	0.309	20	30		CCEDRM
C=CCS(=O)(=O)[N-]c1cc2n(n1)CC(F)(F)CO2	ZINC001259923337	808805726	/nfs/dbraw/zinc/80/57/26/808805726.db2.gz	DXZCSEQCMKSMAJ-UHFFFAOYSA-N	-1	0	279.268	0.839	20	30		CCEDRM
Cc1ccccc1CS(=O)(=O)N[C@@H]1C(=O)N(O)C[C@@H]1C	ZINC001260025349	808837485	/nfs/dbraw/zinc/83/74/85/808837485.db2.gz	MVXIBAFFNJQMGD-JQWIXIFHSA-N	-1	0	298.364	0.651	20	30		CCEDRM
C=C(C)C[N-]S(=O)(=O)c1nc2nc(Cl)ccn2n1	ZINC001260178033	808855141	/nfs/dbraw/zinc/85/51/41/808855141.db2.gz	TXFKKLSWIHIARA-UHFFFAOYSA-N	-1	0	287.732	0.632	20	30		CCEDRM
Cc1nc(S(=O)(=O)[N-]c2cncc(C#N)c2)cn1C	ZINC001260542169	808863301	/nfs/dbraw/zinc/86/33/01/808863301.db2.gz	OWZAXAUYXSYEGI-UHFFFAOYSA-N	-1	0	277.309	0.796	20	30		CCEDRM
C=CC[C@H](NC(=O)c1cn(C)nc1COC)C(=O)[O-]	ZINC001262177015	809222715	/nfs/dbraw/zinc/22/27/15/809222715.db2.gz	HWTMIWHIPNXYHP-VIFPVBQESA-N	-1	0	267.285	0.326	20	30		CCEDRM
C#CCN(CC1CC1)C(=O)[C@H]1C[C@@H](C)[C@H](C(=O)[O-])O1	ZINC001262181505	809227314	/nfs/dbraw/zinc/22/73/14/809227314.db2.gz	OAKWMUFENRGVHP-YUSALJHKSA-N	-1	0	265.309	0.736	20	30		CCEDRM
CC[C@@H]1OC(C)=C(OCCS(=O)(=O)[O-])C1=O	ZINC001224572339	815275467	/nfs/dbraw/zinc/27/54/67/815275467.db2.gz	SLFTZADQXKJXMF-ZETCQYMHSA-N	-1	0	250.272	0.500	20	30		CCEDRM
C[C@@H]1CCC[C@@H](Nc2[n-]c(=O)n(C)c(=O)c2C#N)C1	ZINC001262678148	809392595	/nfs/dbraw/zinc/39/25/95/809392595.db2.gz	QATNWMQXBLZMNS-RKDXNWHRSA-N	-1	0	262.313	0.936	20	30		CCEDRM
C=C[C@@H](C)O[N-]C(=O)C(=O)Nc1cn(C)nc1C(F)F	ZINC001262720031	809404127	/nfs/dbraw/zinc/40/41/27/809404127.db2.gz	PNOKHGFFHCRXNP-ZCFIWIBFSA-N	-1	0	288.254	0.919	20	30		CCEDRM
COC(=O)c1cc(C([O-])=C(C#N)C(=O)N2CCCC2)on1	ZINC001263292607	809504379	/nfs/dbraw/zinc/50/43/79/809504379.db2.gz	MOQWSWTUMKKVKS-QMMMGPOBSA-N	-1	0	291.263	0.406	20	30		CCEDRM
C=CCNC(=O)C(C#N)=C([O-])c1cnc(C2CC2)nc1	ZINC001263307364	809506818	/nfs/dbraw/zinc/50/68/18/809506818.db2.gz	YKLBNECJQSAXED-NSHDSACASA-N	-1	0	270.292	0.979	20	30		CCEDRM
N#Cc1ccc(S(=O)(=O)N[C@@H]2CC=C(C(=O)[O-])C2)cn1	ZINC000694944265	811534924	/nfs/dbraw/zinc/53/49/24/811534924.db2.gz	QOPMLJIVTGDMAA-SECBINFHSA-N	-1	0	293.304	0.405	20	30		CCEDRM
C#C[C@H](Oc1c([O-])c(=O)c(=O)c1=O)[C@H](CC)CCCC	ZINC001225831499	813622873	/nfs/dbraw/zinc/62/28/73/813622873.db2.gz	WBSDHFNDPNNCAD-ZJUUUORDSA-N	-1	0	278.304	0.945	20	30		CCEDRM
N#Cc1cnnc(NC(=N)SCCS(=O)(=O)[O-])c1	ZINC001168091164	814628554	/nfs/dbraw/zinc/62/85/54/814628554.db2.gz	RJNAPJKZBQVXFB-UHFFFAOYSA-N	-1	0	287.326	0.316	20	30		CCEDRM
C=CCN1CC(N(C)C(=O)c2n[nH]c(C)c2[O-])C1	ZINC001042619845	814747922	/nfs/dbraw/zinc/74/79/22/814747922.db2.gz	OPKFOLSAIDAPTQ-UHFFFAOYSA-N	-1	0	250.302	0.366	20	30		CCEDRM
C=CCN1CC[C@]2(CCN(C(=O)c3cc(=O)[nH][n-]3)C2)C1=O	ZINC001272282833	816251626	/nfs/dbraw/zinc/25/16/26/816251626.db2.gz	KUVKHEAOSFSKHY-CQSZACIVSA-N	-1	0	290.323	0.366	20	30		CCEDRM
C=C(C)CN1CC(NC(=O)c2c[n-]n3c2nccc3=O)C1	ZINC001031064779	816619464	/nfs/dbraw/zinc/61/94/64/816619464.db2.gz	GQHGFSYUCRJUIB-UHFFFAOYSA-N	-1	0	287.323	0.013	20	30		CCEDRM
CC(=O)Nc1nc(C([O-])=C(C#N)C(=O)NC(C)C)cs1	ZINC000130792773	817302163	/nfs/dbraw/zinc/30/21/63/817302163.db2.gz	QSZLCFFUHUZONT-QMMMGPOBSA-N	-1	0	294.336	0.949	20	30		CCEDRM
C=CCN(CC(=O)[O-])C(=O)NCC[C@H](COC)OC	ZINC000694349101	818865962	/nfs/dbraw/zinc/86/59/62/818865962.db2.gz	WWRWQJRTMUIVET-SNVBAGLBSA-N	-1	0	274.317	0.320	20	30		CCEDRM
C#CCCCNC(=O)N1C[C@@H](OC)C[C@@]1(C)C(=O)[O-]	ZINC000702732141	819169743	/nfs/dbraw/zinc/16/97/43/819169743.db2.gz	PASSRVWYQCTIFU-GWCFXTLKSA-N	-1	0	268.313	0.673	20	30		CCEDRM
Cc1nc(N2CCO[C@](C)(C(=O)[O-])C2)ccc1C#N	ZINC000711576822	820053982	/nfs/dbraw/zinc/05/39/82/820053982.db2.gz	PSQLWLDDKWVGNP-ZDUSSCGKSA-N	-1	0	261.281	0.942	20	30		CCEDRM
C#CC[C@@H](NC(=O)[C@H](NC(C)=O)C1CCCC1)C(=O)[O-]	ZINC000820352955	821441402	/nfs/dbraw/zinc/44/14/02/821441402.db2.gz	UEGMHIZVNJRQKA-VXGBXAGGSA-N	-1	0	280.324	0.274	20	30		CCEDRM
N#CC1(CS(=O)(=O)[N-]C(=O)C2CCSCC2)CC1	ZINC000793198660	837404830	/nfs/dbraw/zinc/40/48/30/837404830.db2.gz	ZKTRTZVKLQXSTG-UHFFFAOYSA-N	-1	0	288.394	0.879	20	30		CCEDRM
N#Cc1ccc([N-]S(=O)(=O)c2c[nH]cn2)c(O)c1	ZINC001187761733	844767876	/nfs/dbraw/zinc/76/78/76/844767876.db2.gz	CLRWBYMMRNGKCH-UHFFFAOYSA-N	-1	0	264.266	0.788	20	30		CCEDRM
C#C[C@H](C)NC(=O)COc1ccc(OCC(=O)[O-])cc1	ZINC001183912022	844119020	/nfs/dbraw/zinc/11/90/20/844119020.db2.gz	RIUJCVPODMGBDP-JTQLQIEISA-N	-1	0	277.276	0.667	20	30		CCEDRM
Cc1[nH]nc(C(=O)N2CC[C@@H](CNCC#N)[C@H](C)C2)c1[O-]	ZINC001184200347	844176788	/nfs/dbraw/zinc/17/67/88/844176788.db2.gz	UIWRIRUKFNZIGH-KOLCDFICSA-N	-1	0	291.355	0.635	20	30		CCEDRM
CN1C[C@@H]2CN(C(=O)CCC(=O)C3=CC=C[CH]3)C[C@@H]2C1=O	ZINC001184245043	844187722	/nfs/dbraw/zinc/18/77/22/844187722.db2.gz	NRCLHMRUJXYOLK-OLZOCXBDSA-N	-1	0	287.339	0.583	20	30		CCEDRM
COC(=O)[C@@H]1C[C@H]1CNC(=O)CCC(=O)C1=CC=C[CH]1	ZINC001184246335	844189064	/nfs/dbraw/zinc/18/90/64/844189064.db2.gz	QARQVHXGWDEJKC-NWDGAFQWSA-N	-1	0	276.312	0.961	20	30		CCEDRM
C[C@@H]1CN(C(=O)c2cnc[nH]c2=O)CC[C@@H]1CNCC#N	ZINC001184629536	844270078	/nfs/dbraw/zinc/27/00/78/844270078.db2.gz	HZUWDSPLZWLDDD-GHMZBOCLSA-N	-1	0	289.339	0.394	20	30		CCEDRM
N#Cc1c(F)c(F)c([N-][C@@H](C#N)C(N)=O)c(F)c1F	ZINC001170534907	837983376	/nfs/dbraw/zinc/98/33/76/837983376.db2.gz	DSNQULRTJHJFSQ-BYPYZUCNSA-N	-1	0	272.161	0.904	20	30		CCEDRM
C#Cc1cc([N-]S(=O)(=O)c2cnc(Cl)nc2)ccn1	ZINC001184999872	844325456	/nfs/dbraw/zinc/32/54/56/844325456.db2.gz	JTULPCKUBOHPMJ-UHFFFAOYSA-N	-1	0	294.723	0.729	20	30		CCEDRM
C=CCCOCCCCC(=O)[N-]S(=O)(=O)N(C)C	ZINC001116487298	855774829	/nfs/dbraw/zinc/77/48/29/855774829.db2.gz	FLNTUKIOFVGCPR-UHFFFAOYSA-N	-1	0	278.374	0.672	20	30		CCEDRM
C=CCN(Cc1cccs1)C(=O)Cn1c(=O)[n-][nH]c1=O	ZINC001136047603	839501754	/nfs/dbraw/zinc/50/17/54/839501754.db2.gz	CLEXOLSKGXFIPA-UHFFFAOYSA-N	-1	0	294.336	0.966	20	30		CCEDRM
CCOC(=O)CNC(=O)c1[n-]c(=O)c(C#N)cc1C	ZINC001136304865	839584526	/nfs/dbraw/zinc/58/45/26/839584526.db2.gz	QPALYNJDCCAWRO-UHFFFAOYSA-N	-1	0	263.253	0.260	20	30		CCEDRM
N#CC1(NC(=O)CCCn2c(=O)[n-][nH]c2=O)CCCC1	ZINC001136685706	839713117	/nfs/dbraw/zinc/71/31/17/839713117.db2.gz	HBLVTGDWXPBAGG-UHFFFAOYSA-N	-1	0	279.300	0.422	20	30		CCEDRM
C#CCCNC(=O)c1nc[n-]c(=O)c1Br	ZINC001136769151	839755821	/nfs/dbraw/zinc/75/58/21/839755821.db2.gz	BWWXUVKJJNLVPO-UHFFFAOYSA-N	-1	0	270.086	0.698	20	30		CCEDRM
C#CC(C)(C)NC(=O)c1ccc(-n2[nH]c(=O)[n-]c2=O)cc1	ZINC001136796465	839771133	/nfs/dbraw/zinc/77/11/33/839771133.db2.gz	JILYPBULDQVAIT-UHFFFAOYSA-N	-1	0	286.291	0.408	20	30		CCEDRM
C#CCOc1cccc(NC(=O)CCc2nnn[n-]2)c1	ZINC001146476960	840313452	/nfs/dbraw/zinc/31/34/52/840313452.db2.gz	AOBZOIMEKHRFPY-UHFFFAOYSA-N	-1	0	271.280	0.783	20	30		CCEDRM
N#Cc1nc(N)c(NC(=O)c2ccc([O-])cc2F)nc1C#N	ZINC001186311056	844537719	/nfs/dbraw/zinc/53/77/19/844537719.db2.gz	MBOHZZXKRRODPM-UHFFFAOYSA-N	-1	0	298.237	0.899	20	30		CCEDRM
N#C[C@@H]1COCCN1C(=O)c1cc(=O)n(-c2ccccc2)[n-]1	ZINC001147884749	840714725	/nfs/dbraw/zinc/71/47/25/840714725.db2.gz	WZTAAZKEJDIZHS-GFCCVEGCSA-N	-1	0	298.302	0.530	20	30		CCEDRM
Cc1nnc([S-])n(N=Cc2cccc(O)c2)c1=O	ZINC000585656420	840933987	/nfs/dbraw/zinc/93/39/87/840933987.db2.gz	YHRJRJWIWNXMIJ-UHFFFAOYSA-N	-1	0	262.294	0.823	20	30		CCEDRM
CO[C@H](C(=O)[O-])C(=O)N1Cc2cccc(C#N)c2C1	ZINC000713223165	841124886	/nfs/dbraw/zinc/12/48/86/841124886.db2.gz	CWFBYQDGUONSPG-NSHDSACASA-N	-1	0	260.249	0.500	20	30		CCEDRM
N#Cc1nc(N)c(Nc2cncc(C(=O)[O-])c2)nc1C#N	ZINC001175836502	842284067	/nfs/dbraw/zinc/28/40/67/842284067.db2.gz	AOULPQLLIAJLCH-UHFFFAOYSA-N	-1	0	281.235	0.639	20	30		CCEDRM
C=CCCOCC(=O)N(Cc1nnn[n-]1)CC(C)C	ZINC001176593212	842385166	/nfs/dbraw/zinc/38/51/66/842385166.db2.gz	DYHLPOQVJSKWCD-UHFFFAOYSA-N	-1	0	267.333	0.777	20	30		CCEDRM
Cc1cc(C#N)c(F)cc1NC(=O)Cc1nnn[n-]1	ZINC001176845303	842444492	/nfs/dbraw/zinc/44/44/92/842444492.db2.gz	RJAVEVOQFYZYHH-UHFFFAOYSA-N	-1	0	260.232	0.700	20	30		CCEDRM
Cc1ncc(C#N)cc1NC(=O)Cn1nn[n-]c1=S	ZINC001177736655	842663530	/nfs/dbraw/zinc/66/35/30/842663530.db2.gz	XZQGFOMFFXJSRU-UHFFFAOYSA-N	-1	0	275.297	0.176	20	30		CCEDRM
C=C1CC=C(F)C=C1NC(=O)Cn1nn[n-]c1=S	ZINC001177743981	842666508	/nfs/dbraw/zinc/66/65/08/842666508.db2.gz	RFFJKVPOILXSDS-UHFFFAOYSA-N	-1	0	267.289	0.775	20	30		CCEDRM
COc1ccc(C#CC(=O)NC2C(=O)N=CN=C2[O-])cc1	ZINC001182045876	843688748	/nfs/dbraw/zinc/68/87/48/843688748.db2.gz	ZHNPPOOVLZEKSG-UHFFFAOYSA-N	-1	0	285.259	0.887	20	30		CCEDRM
N#Cc1cc(NC(=O)[C@@H]2CCNC2=O)c([O-])cc1F	ZINC001183010029	843949758	/nfs/dbraw/zinc/94/97/58/843949758.db2.gz	CGECEYWYDUJURM-SSDOTTSWSA-N	-1	0	263.228	0.478	20	30		CCEDRM
O=C([O-])CCc1ccc(S(=O)(=O)NCCS)cc1	ZINC001192149897	845791913	/nfs/dbraw/zinc/79/19/13/845791913.db2.gz	BDFYONATHQWZQL-UHFFFAOYSA-N	-1	0	289.378	0.912	20	30		CCEDRM
CCN(CCNCC#N)C(=O)c1n[n-]c2ccccc2c1=O	ZINC001273638160	845849342	/nfs/dbraw/zinc/84/93/42/845849342.db2.gz	ULTXYGRMZBQJKL-UHFFFAOYSA-N	-1	0	299.334	0.911	20	30		CCEDRM
CSc1nnc([N-]S(=O)(=O)CC#N)c(SC)n1	ZINC001192934645	845940626	/nfs/dbraw/zinc/94/06/26/845940626.db2.gz	BIAVGUSRKMOWIN-UHFFFAOYSA-N	-1	0	291.383	0.581	20	30		CCEDRM
N#CCS(=O)(=O)[N-]c1cnn(C2CCOCC2)c1	ZINC001192938362	845941581	/nfs/dbraw/zinc/94/15/81/845941581.db2.gz	BURQXOGTHFYPCW-UHFFFAOYSA-N	-1	0	270.314	0.500	20	30		CCEDRM
COC(=O)c1c([N-]S(=O)(=O)CC#N)cccc1OC	ZINC001192982200	845943538	/nfs/dbraw/zinc/94/35/38/845943538.db2.gz	JCHSYGSXIYJTMO-UHFFFAOYSA-N	-1	0	284.293	0.747	20	30		CCEDRM
COC(=O)c1cc(C#N)cc([N-]S(=O)(=O)CC#N)c1	ZINC001192982471	845943675	/nfs/dbraw/zinc/94/36/75/845943675.db2.gz	QNQAOVFMWVKGGL-UHFFFAOYSA-N	-1	0	279.277	0.610	20	30		CCEDRM
COC(=O)c1nc(Cl)cnc1[N-]S(=O)(=O)CC#N	ZINC001192939495	845943797	/nfs/dbraw/zinc/94/37/97/845943797.db2.gz	RLCIZLNCWGLFEB-UHFFFAOYSA-N	-1	0	290.688	0.182	20	30		CCEDRM
CN1Cc2c([N-]S(=O)(=O)CC#N)cccc2NC1=O	ZINC001192988855	845946531	/nfs/dbraw/zinc/94/65/31/845946531.db2.gz	RFEQKNLSOXGKTJ-UHFFFAOYSA-N	-1	0	280.309	0.929	20	30		CCEDRM
COc1ccc([N-]S(=O)(=O)CC#N)c(C#N)c1	ZINC001192972457	845958312	/nfs/dbraw/zinc/95/83/12/845958312.db2.gz	ZUZLXXGOMMXGRE-UHFFFAOYSA-N	-1	0	251.267	0.832	20	30		CCEDRM
Cn1cc2c(cccc2[N-]S(=O)(=O)CC#N)n1	ZINC001192978884	845961286	/nfs/dbraw/zinc/96/12/86/845961286.db2.gz	LDSFUYHGGJVQIN-UHFFFAOYSA-N	-1	0	250.283	0.839	20	30		CCEDRM
COC(=O)c1cncc([N-]S(=O)(=O)[C@@H](C)C#N)c1	ZINC001193104076	845979082	/nfs/dbraw/zinc/97/90/82/845979082.db2.gz	FMFNMIJGKCVAGC-ZETCQYMHSA-N	-1	0	269.282	0.522	20	30		CCEDRM
COCCOc1cc([N-]S(=O)(=O)[C@@H](C)C#N)ccn1	ZINC001193111813	845980664	/nfs/dbraw/zinc/98/06/64/845980664.db2.gz	LPEJOUSLJWYHMB-VIFPVBQESA-N	-1	0	285.325	0.761	20	30		CCEDRM
COC(=O)c1c(O)cccc1[N-]S(=O)(=O)[C@H](C)C#N	ZINC001193148777	846005282	/nfs/dbraw/zinc/00/52/82/846005282.db2.gz	DZYVBVSCAMPHJS-SSDOTTSWSA-N	-1	0	284.293	0.833	20	30		CCEDRM
C[C@H](C#N)S(=O)(=O)[N-]c1cccc2c1C(=O)N(C)C2	ZINC001193161849	846010328	/nfs/dbraw/zinc/01/03/28/846010328.db2.gz	UNDJESDOZVBEJA-MRVPVSSYSA-N	-1	0	279.321	0.926	20	30		CCEDRM
C[C@@H](C#N)S(=O)(=O)NCC(=O)c1ccc(O)cc1	ZINC001193194876	846013610	/nfs/dbraw/zinc/01/36/10/846013610.db2.gz	WJRCCDOBMBLYJC-QMMMGPOBSA-N	-1	0	268.294	0.406	20	30		CCEDRM
Cc1nc(C#N)cnc1[N-]S(=O)(=O)C[C@@H]1CCCO1	ZINC001193207648	846019465	/nfs/dbraw/zinc/01/94/65/846019465.db2.gz	NDMIZJJPDMIUCS-JTQLQIEISA-N	-1	0	282.325	0.577	20	30		CCEDRM
N#Cc1cc(C(=O)NCCCc2c[nH][nH]c2=O)ccc1[O-]	ZINC001193511607	846101510	/nfs/dbraw/zinc/10/15/10/846101510.db2.gz	DEBATEMUOAPOIU-JTQLQIEISA-N	-1	0	286.291	0.506	20	30		CCEDRM
Cc1nnc(CNC(=O)c2ccc([O-])c(C#N)c2)o1	ZINC001193518864	846103183	/nfs/dbraw/zinc/10/31/83/846103183.db2.gz	IXGPPEMTZICRBZ-UHFFFAOYSA-N	-1	0	258.237	0.885	20	30		CCEDRM
COC(=O)[C@@H]1C[C@H](F)CN1C(=O)c1cccc(C#N)c1[O-]	ZINC001193642596	846134937	/nfs/dbraw/zinc/13/49/37/846134937.db2.gz	JTQBZXWAIBMZBG-ONGXEEELSA-N	-1	0	292.266	0.989	20	30		CCEDRM
N#Cc1cccc(C(=O)N[C@H]2CCCNC(=O)C2)c1[O-]	ZINC001193659103	846139425	/nfs/dbraw/zinc/13/94/25/846139425.db2.gz	KGPUCDGUSHZWOW-JTQLQIEISA-N	-1	0	273.292	0.662	20	30		CCEDRM
CSCC[C@H](NC(=O)c1cccc(C#N)c1[O-])C(N)=O	ZINC001193660524	846140126	/nfs/dbraw/zinc/14/01/26/846140126.db2.gz	ZEGNYMMQPVIENQ-JTQLQIEISA-N	-1	0	293.348	0.601	20	30		CCEDRM
Cn1cc(CCNC(=O)c2cccc(C#N)c2[O-])cn1	ZINC001193658210	846140238	/nfs/dbraw/zinc/14/02/38/846140238.db2.gz	YKANGCSVLJRMRM-UHFFFAOYSA-N	-1	0	270.292	0.970	20	30		CCEDRM
CC(C)[C@](C)(NC(=O)c1cccc(C#N)c1[O-])C(N)=O	ZINC001193658106	846140536	/nfs/dbraw/zinc/14/05/36/846140536.db2.gz	SUGOKICQLWWNJW-AWEZNQCLSA-N	-1	0	275.308	0.894	20	30		CCEDRM
COc1ccc(S(=O)(=O)[N-]c2c(C#N)ncn2C)cn1	ZINC001195695758	846604344	/nfs/dbraw/zinc/60/43/44/846604344.db2.gz	XMEPJMIBQSANHU-UHFFFAOYSA-N	-1	0	293.308	0.496	20	30		CCEDRM
CN1C[C@@H](CNC(=O)c2ccc(C#N)cc2[O-])CC1=O	ZINC001195763841	846611725	/nfs/dbraw/zinc/61/17/25/846611725.db2.gz	DCMIGGRKOCTHGQ-SNVBAGLBSA-N	-1	0	273.292	0.472	20	30		CCEDRM
N#Cc1ccc(C(=O)N[C@H]2COCC[C@@H]2O)c([O-])c1	ZINC001195764615	846613364	/nfs/dbraw/zinc/61/33/64/846613364.db2.gz	NGWFGNNYUINVJB-QWRGUYRKSA-N	-1	0	262.265	0.143	20	30		CCEDRM
CN1CCC[C@H](NC(=O)c2ccc(C#N)cc2[O-])C1=O	ZINC001195764719	846613528	/nfs/dbraw/zinc/61/35/28/846613528.db2.gz	OKNGWIZASVVTGS-NSHDSACASA-N	-1	0	273.292	0.614	20	30		CCEDRM
N#Cc1ccc(C(=O)NC(=N)c2ncc[nH]2)c([O-])c1	ZINC001195764321	846613752	/nfs/dbraw/zinc/61/37/52/846613752.db2.gz	JSYJMASMZTZQGZ-UHFFFAOYSA-N	-1	0	255.237	0.742	20	30		CCEDRM
Cc1cnc(NC(=O)c2ccc(C#N)cc2[O-])c(=O)[nH]1	ZINC001195767869	846615157	/nfs/dbraw/zinc/61/51/57/846615157.db2.gz	AZTHBKPYTYONSU-UHFFFAOYSA-N	-1	0	270.248	0.908	20	30		CCEDRM
COC(=O)[C@@H]1C[C@H]1CNC(=O)c1ccc(C#N)cc1[O-]	ZINC001195768255	846615302	/nfs/dbraw/zinc/61/53/02/846615302.db2.gz	KWKSOFFOPMWSFK-GXSJLCMTSA-N	-1	0	274.276	0.803	20	30		CCEDRM
N=C(c1nonc1N)N(O)C(=O)c1cc(Cl)ncc1[O-]	ZINC001196387598	846739175	/nfs/dbraw/zinc/73/91/75/846739175.db2.gz	RDQWTLDYSZLTHU-UHFFFAOYSA-N	-1	0	298.646	0.263	20	30		CCEDRM
Cc1ccc(S(=O)(=O)[N-]c2c(C#N)ncn2C)cn1	ZINC001198276863	847078060	/nfs/dbraw/zinc/07/80/60/847078060.db2.gz	FSKLWBUGGKHKNI-UHFFFAOYSA-N	-1	0	277.309	0.796	20	30		CCEDRM
C#Cc1cccnc1[N-]S(=O)(=O)c1cnc(C)n1C	ZINC001198354321	847102901	/nfs/dbraw/zinc/10/29/01/847102901.db2.gz	TWSDDQDEJABEKH-UHFFFAOYSA-N	-1	0	276.321	0.906	20	30		CCEDRM
C=CCC1(O)CCN(C(=O)NC[C@@H](C)C(=O)[O-])CC1	ZINC000717250739	848182784	/nfs/dbraw/zinc/18/27/84/848182784.db2.gz	QNDQPWQWFVOZQY-SNVBAGLBSA-N	-1	0	270.329	0.820	20	30		CCEDRM
CN(C)C(=O)[C@@]12C[C@@H]1CN(C(=O)c1ccc([O-])c(C#N)c1)C2	ZINC001276155202	848941293	/nfs/dbraw/zinc/94/12/93/848941293.db2.gz	BMSWDYBAISUMIR-MLGOLLRUSA-N	-1	0	299.330	0.814	20	30		CCEDRM
N#Cc1ccc(S(=O)(=O)NCc2cc(=O)[n-]o2)cc1	ZINC001258162891	849159460	/nfs/dbraw/zinc/15/94/60/849159460.db2.gz	CIQASVBOFQGUKD-UHFFFAOYSA-N	-1	0	279.277	0.730	20	30		CCEDRM
CC#CCCNC(=O)N[C@@H](Cc1cncs1)C(=O)[O-]	ZINC000719003847	849286903	/nfs/dbraw/zinc/28/69/03/849286903.db2.gz	JHVZYAULKNAECU-JTQLQIEISA-N	-1	0	281.337	0.851	20	30		CCEDRM
C#CCSCCNC(=O)N[C@](CC)(COC)C(=O)[O-]	ZINC000381263874	849749125	/nfs/dbraw/zinc/74/91/25/849749125.db2.gz	YEPQXBXFKAOGBK-GFCCVEGCSA-N	-1	0	288.369	0.532	20	30		CCEDRM
N#Cc1cccc(NC(=O)NCC[P@](=O)([O-])O)c1	ZINC001202790013	849777422	/nfs/dbraw/zinc/77/74/22/849777422.db2.gz	LZJWAXOYICGDQT-UHFFFAOYSA-N	-1	0	269.197	0.857	20	30		CCEDRM
C=CCCS(=O)(=O)N1C[C@@H](C)[C@H](CC(=O)[O-])C1	ZINC000722633541	850129433	/nfs/dbraw/zinc/12/94/33/850129433.db2.gz	ZYKDXPZNBQMMRB-NXEZZACHSA-N	-1	0	261.343	0.935	20	30		CCEDRM
C=C(C)CCNS(=O)(=O)c1c[nH]c(C(=O)[O-])c1	ZINC000386839190	853953577	/nfs/dbraw/zinc/95/35/77/853953577.db2.gz	XIESUBJKFJFNOJ-UHFFFAOYSA-N	-1	0	258.299	0.957	20	30		CCEDRM
C#CC[C@@H](NC(=O)[C@H]1CCCN1C(=O)C(C)(C)C)C(=O)[O-]	ZINC000149754046	853997151	/nfs/dbraw/zinc/99/71/51/853997151.db2.gz	KYWZWEWWBDHXOD-GHMZBOCLSA-N	-1	0	294.351	0.616	20	30		CCEDRM
C#CC[C@H](NC(=O)COc1ccc(C)cc1)C(=O)[O-]	ZINC000149793807	853997795	/nfs/dbraw/zinc/99/77/95/853997795.db2.gz	ONERRLOUYUFVPI-LBPRGKRZSA-N	-1	0	261.277	0.967	20	30		CCEDRM
C#CC[C@H](NC(=O)c1c(C)cc(C)[nH]c1=O)C(=O)[O-]	ZINC000149863311	854003899	/nfs/dbraw/zinc/00/38/99/854003899.db2.gz	VDIOAMNPMWJHBB-VIFPVBQESA-N	-1	0	262.265	0.198	20	30		CCEDRM
C#CC[C@H](NC(=O)c1cnc2cc(C)nn2c1C)C(=O)[O-]	ZINC000149888899	854006640	/nfs/dbraw/zinc/00/66/40/854006640.db2.gz	FZPFINPSIGFZKL-NSHDSACASA-N	-1	0	286.291	0.552	20	30		CCEDRM
CO[N-]C(=O)C(=O)Nc1ccccc1O[C@H](C)C#N	ZINC001116717867	855818636	/nfs/dbraw/zinc/81/86/36/855818636.db2.gz	VNFLHXFCTARHAW-MRVPVSSYSA-N	-1	0	263.253	0.594	20	30		CCEDRM
C=CC[C@H](CC)NC(=O)C(=O)[N-]OC1CCOCC1	ZINC001117394059	855965582	/nfs/dbraw/zinc/96/55/82/855965582.db2.gz	ONSMSGFWEAMZFS-JTQLQIEISA-N	-1	0	270.329	0.684	20	30		CCEDRM
C=C[C@@H]1CCCCN1C(=O)C(=O)N[C@H]1C[C@@H](C(=O)[O-])C1	ZINC001119337832	856641001	/nfs/dbraw/zinc/64/10/01/856641001.db2.gz	JYORDOBSNYQEKP-OUAUKWLOSA-N	-1	0	280.324	0.533	20	30		CCEDRM
C=CCCC[C@H](C)NC(=O)C(=O)N[C@H]1C[C@H](C(=O)[O-])C1	ZINC001119391301	856665702	/nfs/dbraw/zinc/66/57/02/856665702.db2.gz	BAOQCGFSMUVSRI-DCAQKATOSA-N	-1	0	282.340	0.827	20	30		CCEDRM
C=C1CC(C)(C(=O)N2CCC(O)(C(=O)[O-])CC2)C1	ZINC001119577160	856751068	/nfs/dbraw/zinc/75/10/68/856751068.db2.gz	GGQRUGSXTKEOBP-UHFFFAOYSA-N	-1	0	253.298	0.781	20	30		CCEDRM
C=CCO[C@H]1CCN(C(=O)CCSCC(=O)[O-])C1	ZINC001119579723	856753298	/nfs/dbraw/zinc/75/32/98/856753298.db2.gz	FSEUDVSLHPVHPT-JTQLQIEISA-N	-1	0	273.354	0.998	20	30		CCEDRM
C=CC[C@@H](NC(=O)c1cc([C@H]2CCCN2C)n[nH]1)C(=O)[O-]	ZINC001119644470	856804993	/nfs/dbraw/zinc/80/49/93/856804993.db2.gz	KQVNFIGHEVMVOR-BXKDBHETSA-N	-1	0	292.339	0.936	20	30		CCEDRM
C=CC[C@H](NC(=O)C1(O)CCSCC1)C(=O)[O-]	ZINC001119645568	856805419	/nfs/dbraw/zinc/80/54/19/856805419.db2.gz	VTMBZQLPQBHZRY-QMMMGPOBSA-N	-1	0	259.327	0.390	20	30		CCEDRM
C=CC[C@H](NC(=O)[C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@H]12)C(=O)[O-]	ZINC001120416240	857060334	/nfs/dbraw/zinc/06/03/34/857060334.db2.gz	AFAAMNXWBXQADR-LBWRMUMUSA-N	-1	0	251.282	0.555	20	30		CCEDRM
CC[C@@H](C(=O)OC)C(=O)N(CC#N)CCC(=O)[O-]	ZINC001594775600	981759728	/nfs/dbraw/zinc/75/97/28/981759728.db2.gz	NQIFHCSELJGKNS-MRVPVSSYSA-N	-1	0	256.258	0.012	20	30		CCEDRM
N#Cc1ccccc1S(=O)(=O)[N-]C(=O)[C@@H]1C[C@H]1[N+](=O)[O-]	ZINC001325746931	913561005	/nfs/dbraw/zinc/56/10/05/913561005.db2.gz	BQZKFWMOPXIABR-RKDXNWHRSA-N	-1	0	295.276	0.028	20	30		CCEDRM
N#CCNCC=CCNC(=O)c1n[n-]c2ccccc2c1=O	ZINC001483066384	894870701	/nfs/dbraw/zinc/87/07/01/894870701.db2.gz	VHXUIKOTWKUVOR-ONEGZZNKSA-N	-1	0	297.318	0.735	20	30		CCEDRM
Cc1[nH]nc(C(=O)N2CC[C@@](C)(CNCC#N)C2)c1[O-]	ZINC001484089216	896192330	/nfs/dbraw/zinc/19/23/30/896192330.db2.gz	LQNDZRSOAAPWLN-ZDUSSCGKSA-N	-1	0	277.328	0.389	20	30		CCEDRM
C=CCOC[C@H](CS(=O)(=O)[O-])O[C@@H](C)C(C)=O	ZINC001205239837	897716135	/nfs/dbraw/zinc/71/61/35/897716135.db2.gz	FUOLOTQFUOOJHS-VHSXEESVSA-N	-1	0	266.315	0.440	20	30		CCEDRM
C[C@H](C#N)S(=O)(=O)[N-]c1nnc(C(F)(F)F)n1C	ZINC001193106618	900031367	/nfs/dbraw/zinc/03/13/67/900031367.db2.gz	UHWRKDBPHXWHKJ-SCSAIBSYSA-N	-1	0	283.235	0.488	20	30		CCEDRM
Cc1nc2c(C)cc([N-]S(=O)(=O)[C@H](C)C#N)cn2n1	ZINC001193107654	900034112	/nfs/dbraw/zinc/03/41/12/900034112.db2.gz	ZGWQEZIUNALPOE-MRVPVSSYSA-N	-1	0	279.325	1.000	20	30		CCEDRM
COCCn1cc(C(=O)Nc2nc(C#N)c(C#N)[n-]2)cn1	ZINC001412292754	901625002	/nfs/dbraw/zinc/62/50/02/901625002.db2.gz	PFFRXIPANZFPBA-UHFFFAOYSA-N	-1	0	285.267	0.248	20	30		CCEDRM
CC(C)N(Cc1cc(=O)n2[n-]cc(C#N)c2n1)C1COC1	ZINC001412996667	902453107	/nfs/dbraw/zinc/45/31/07/902453107.db2.gz	XRYCDZKNFWCPCI-UHFFFAOYSA-N	-1	0	287.323	0.916	20	30		CCEDRM
C[C@@H](C#N)CNC(=O)N1CCC[C@@H](c2n[nH]c(=O)[n-]2)C1	ZINC001413809580	903682762	/nfs/dbraw/zinc/68/27/62/903682762.db2.gz	WPLMAANOLCQOBG-DTWKUNHWSA-N	-1	0	278.316	0.559	20	30		CCEDRM
Cn1cc(-c2ccc(C=Nn3c(=O)[n-][nH]c3=O)cc2)cn1	ZINC001327778442	914761846	/nfs/dbraw/zinc/76/18/46/914761846.db2.gz	UFWDHYZKQJFAEE-UHFFFAOYSA-N	-1	0	284.279	0.972	20	30		CCEDRM
C=C[C@@H](COC)NS(=O)(=O)c1ccccc1[O-]	ZINC001327907701	914852043	/nfs/dbraw/zinc/85/20/43/914852043.db2.gz	KHVTUZGEHLWTOC-VIFPVBQESA-N	-1	0	257.311	0.872	20	30		CCEDRM
CS[C@H](C)CNc1[n-]c(=O)n(C)c(=O)c1C#N	ZINC001337079886	921179644	/nfs/dbraw/zinc/17/96/44/921179644.db2.gz	FNUXXSJEWPCIIB-ZCFIWIBFSA-N	-1	0	254.315	0.109	20	30		CCEDRM
Cn1c(=O)[n-]c(N[C@H]2CCC[C@@H]3C[C@@H]32)c(C#N)c1=O	ZINC001337191654	921213710	/nfs/dbraw/zinc/21/37/10/921213710.db2.gz	KAPZGVOXAIHTQW-WEDXCCLWSA-N	-1	0	260.297	0.546	20	30		CCEDRM
C#CCC[C@H](O)CNC(=O)c1[n-]c(=O)c(C#N)cc1C	ZINC001296956296	906978765	/nfs/dbraw/zinc/97/87/65/906978765.db2.gz	VDUSNPLXNZANQP-NSHDSACASA-N	-1	0	273.292	0.471	20	30		CCEDRM
Cc1cc(C#N)c(=O)[n-]c1C(=O)NOC(C)(C)CO	ZINC001298077373	907152508	/nfs/dbraw/zinc/15/25/08/907152508.db2.gz	KVQVIWIKLVPWTK-UHFFFAOYSA-N	-1	0	265.269	0.400	20	30		CCEDRM
CSCCCN(C)c1[n-]c(=O)n(C)c(=O)c1C#N	ZINC001337975219	921330106	/nfs/dbraw/zinc/33/01/06/921330106.db2.gz	WGOKLIUZZNMRLS-UHFFFAOYSA-N	-1	0	268.342	0.135	20	30		CCEDRM
N#Cc1cnn(C(=O)c2s[n-]c(=O)c2Cl)c1N	ZINC001301623330	907979531	/nfs/dbraw/zinc/97/95/31/907979531.db2.gz	LQIIXYHBRCJOJA-UHFFFAOYSA-N	-1	0	269.673	0.841	20	30		CCEDRM
CCN(C(C)(C)C(=O)[O-])S(=O)(=O)N(C)[C@@H](C)CC#N	ZINC001596174906	983542045	/nfs/dbraw/zinc/54/20/45/983542045.db2.gz	OVYMPAQRQGRXLR-VIFPVBQESA-N	-1	0	291.373	0.650	20	30		CCEDRM
C=C(C)C[C@H](C)C(=O)N1C[C@H](C(=O)[O-])C[C@H](O)C1	ZINC001588535941	983591711	/nfs/dbraw/zinc/59/17/11/983591711.db2.gz	MTKBHTDOKLFHJY-AXFHLTTASA-N	-1	0	255.314	0.883	20	30		CCEDRM
COCc1ccc(C=Nn2c(=O)c(C)n[n-]c2=S)o1	ZINC001319179485	910019660	/nfs/dbraw/zinc/01/96/60/910019660.db2.gz	GDFRUSZNDMQVDL-UHFFFAOYSA-N	-1	0	280.309	0.857	20	30		CCEDRM
Cc1nnc([S-])n(N=Cc2cncs2)c1=O	ZINC001319795467	910298811	/nfs/dbraw/zinc/29/88/11/910298811.db2.gz	WWYKSOVAUSYVBL-UHFFFAOYSA-N	-1	0	253.312	0.574	20	30		CCEDRM
C=C[C@H](CO)NC(=O)NC1CCC(C(=O)[O-])CC1	ZINC001339877974	921862151	/nfs/dbraw/zinc/86/21/51/921862151.db2.gz	WVVKIWMNZMSPSR-HWOCKDDLSA-N	-1	0	256.302	0.476	20	30		CCEDRM
CC(=Cc1cnnn1C)c1nc(C)c(C#N)c(=O)[n-]1	ZINC001339482783	921734619	/nfs/dbraw/zinc/73/46/19/921734619.db2.gz	RAIDHOLLQCOJCS-QPJJXVBHSA-N	-1	0	256.269	0.639	20	30		CCEDRM
N#C[C@]1(C(=O)[N-]OC2CCOCC2)CCCOC1	ZINC001330418163	916621722	/nfs/dbraw/zinc/62/17/22/916621722.db2.gz	NMDINTRTQBHLAO-GFCCVEGCSA-N	-1	0	254.286	0.534	20	30		CCEDRM
Cn1c(C#N)ccc1C(=O)[N-]S(=O)(=O)C(C)(C)C	ZINC001330744754	916831151	/nfs/dbraw/zinc/83/11/51/916831151.db2.gz	QRQCEMKPXUMLNP-UHFFFAOYSA-N	-1	0	269.326	0.755	20	30		CCEDRM
C#CCO[N-]C(=O)[C@@H](NC(=O)OC(C)(C)C)C(C)(C)O	ZINC001330927211	916973021	/nfs/dbraw/zinc/97/30/21/916973021.db2.gz	OQCIOKORICMTNF-SECBINFHSA-N	-1	0	286.328	0.332	20	30		CCEDRM
Cc1n[nH]c(C(=O)N[C@@H]2CC[C@@H](CNCC#N)C2)c1[O-]	ZINC001332253160	917993514	/nfs/dbraw/zinc/99/35/14/917993514.db2.gz	KVHHAJVJPKZETF-NXEZZACHSA-N	-1	0	277.328	0.435	20	30		CCEDRM
C=CC[C@@H](NC(=O)c1cc2n(n1)CCO2)C(=O)[O-]	ZINC001332613498	918313052	/nfs/dbraw/zinc/31/30/52/918313052.db2.gz	IFOVVTUFZXVQDS-SSDOTTSWSA-N	-1	0	251.242	0.035	20	30		CCEDRM
N#C[C@]1(C(=O)N2CCC(C(=O)[O-])CC2)CCCOC1	ZINC001332798286	918447425	/nfs/dbraw/zinc/44/74/25/918447425.db2.gz	SPEXVUFZPLCPQT-CYBMUJFWSA-N	-1	0	266.297	0.630	20	30		CCEDRM
N#Cc1nc(NC(=O)CCc2ccncn2)[n-]c1C#N	ZINC001333302016	918785360	/nfs/dbraw/zinc/78/53/60/918785360.db2.gz	KYBFYIPOUYYEEB-UHFFFAOYSA-N	-1	0	267.252	0.514	20	30		CCEDRM
C#CC[C@@H](NC(=O)COCC(=O)[O-])c1ccccc1	ZINC001333331802	918808767	/nfs/dbraw/zinc/80/87/67/918808767.db2.gz	JELLYAXXLGEXSR-GFCCVEGCSA-N	-1	0	261.277	0.968	20	30		CCEDRM
CN(C(=O)C1(C#N)CCSCC1)c1nnn[n-]1	ZINC001333525085	918969060	/nfs/dbraw/zinc/96/90/60/918969060.db2.gz	HUWIXYSYDGJZEU-UHFFFAOYSA-N	-1	0	252.303	0.199	20	30		CCEDRM
C=C(CC)CNC(=O)C(=O)NCCCCC(=O)[O-]	ZINC001333831034	919195973	/nfs/dbraw/zinc/19/59/73/919195973.db2.gz	QGVQMIQPQVNFAT-UHFFFAOYSA-N	-1	0	256.302	0.440	20	30		CCEDRM
Cn1[n-]c(C(=O)N[C@@]2(C#N)CCSC2)cc1=O	ZINC001333923167	919250795	/nfs/dbraw/zinc/25/07/95/919250795.db2.gz	MYMRQTJTZMYYBG-SNVBAGLBSA-N	-1	0	252.299	0.255	20	30		CCEDRM
C=CC[C@@H](NC(=O)[C@H]1CCCc2n[nH]cc21)C(=O)[O-]	ZINC001334185871	919406946	/nfs/dbraw/zinc/40/69/46/919406946.db2.gz	GAUJWTRIIOLJAE-GZMMTYOYSA-N	-1	0	263.297	0.975	20	30		CCEDRM
C=CCCO[N-]C(=O)C1(S(C)(=O)=O)CCOCC1	ZINC001334567561	919658468	/nfs/dbraw/zinc/65/84/68/919658468.db2.gz	VXJBESQBSBMVKO-UHFFFAOYSA-N	-1	0	277.342	0.204	20	30		CCEDRM
C=CC[C@@H](NC(=O)COCc1ccnn1C)C(=O)[O-]	ZINC001335429316	920190340	/nfs/dbraw/zinc/19/03/40/920190340.db2.gz	ACVHEEGJPUEYJV-SNVBAGLBSA-N	-1	0	267.285	0.082	20	30		CCEDRM
N#Cc1cn(CCNC(=O)[C@@H]2CC23CCC3)c(=O)[n-]c1=O	ZINC001418536589	922236624	/nfs/dbraw/zinc/23/66/24/922236624.db2.gz	ONFLEOCRQXHAPS-JTQLQIEISA-N	-1	0	288.307	0.127	20	30		CCEDRM
COCCNC(=O)C(C#N)=C([O-])c1occ(C)c1C	ZINC001341921393	922724041	/nfs/dbraw/zinc/72/40/41/922724041.db2.gz	SBKXAFJKRGFCQI-JTQLQIEISA-N	-1	0	264.281	0.982	20	30		CCEDRM
Cc1noc(CCC(=O)C(C#N)=C([O-])c2nccn2C)n1	ZINC001343311863	923267983	/nfs/dbraw/zinc/26/79/83/923267983.db2.gz	HBFNCWMWHKEGRL-SECBINFHSA-N	-1	0	287.279	0.636	20	30		CCEDRM
CNC(=O)C(C#N)=C([O-])c1cc(C(F)F)ncn1	ZINC001343623708	923393540	/nfs/dbraw/zinc/39/35/40/923393540.db2.gz	SDCASGZLBPMCJW-RXMQYKEDSA-N	-1	0	254.196	0.483	20	30		CCEDRM
C=CCOC[C@@H](NC(=O)/C=C/c1nccs1)C(=O)[O-]	ZINC001344521522	923621758	/nfs/dbraw/zinc/62/17/58/923621758.db2.gz	AHOMJHXUVWQMGZ-CDAZIORVSA-N	-1	0	282.321	0.928	20	30		CCEDRM
C=CCOC[C@@H](NC(=O)/C=C\c1nccs1)C(=O)[O-]	ZINC001344521525	923623488	/nfs/dbraw/zinc/62/34/88/923623488.db2.gz	AHOMJHXUVWQMGZ-ZBJFTSOASA-N	-1	0	282.321	0.928	20	30		CCEDRM
N#CC1(C(=O)N2CC[C@H]([C@@H](F)C(=O)[O-])C2)CCC1	ZINC001345768723	923972634	/nfs/dbraw/zinc/97/26/34/923972634.db2.gz	MVGCMFZAHLGUSE-DTWKUNHWSA-N	-1	0	254.261	0.951	20	30		CCEDRM
N#CC(C(=O)N1CCCC1)=C([O-])c1cnn2c1CCC2	ZINC001346199081	924106570	/nfs/dbraw/zinc/10/65/70/924106570.db2.gz	MQXPNXUSCLOCOS-JTQLQIEISA-N	-1	0	272.308	0.774	20	30		CCEDRM
Cn1ccnc1C([O-])=C(C#N)C(=O)CC1OCCCO1	ZINC001347202572	924398207	/nfs/dbraw/zinc/39/82/07/924398207.db2.gz	DJYHEBFGVUBRGH-VIFPVBQESA-N	-1	0	277.280	0.465	20	30		CCEDRM
C=C(CC)CN1CCN([C@@]2(C(=O)[O-])CCOC2)CC1	ZINC001351665919	925453318	/nfs/dbraw/zinc/45/33/18/925453318.db2.gz	ICURHOVFFLWGKX-AWEZNQCLSA-N	-1	0	268.357	0.814	20	30		CCEDRM
C=CC1(S(=O)(=O)[N-]C(=O)C[C@H]2CCC(=O)NC2)CC1	ZINC001352047655	925513423	/nfs/dbraw/zinc/51/34/23/925513423.db2.gz	BYABCUCJMKGZEV-SECBINFHSA-N	-1	0	286.353	0.067	20	30		CCEDRM
C=C[C@H](C)O[N-]C(=O)C1=CN(C)S(=O)(=O)N=C1C	ZINC001300213251	925743947	/nfs/dbraw/zinc/74/39/47/925743947.db2.gz	NMQVGPWWBJEVDB-ZETCQYMHSA-N	-1	0	273.314	0.144	20	30		CCEDRM
C=CC[C@@H](NC(=O)c1c(C)nn(C)c1OC)C(=O)[O-]	ZINC001354046939	925997075	/nfs/dbraw/zinc/99/70/75/925997075.db2.gz	GXGGATOQWISNRO-MRVPVSSYSA-N	-1	0	267.285	0.496	20	30		CCEDRM
CC(C)C[C@H](CCO)CNc1[n-]c(=O)n(C)c(=O)c1C#N	ZINC001472706230	926128535	/nfs/dbraw/zinc/12/85/35/926128535.db2.gz	OMISAEMAIMOZEU-JTQLQIEISA-N	-1	0	294.355	0.402	20	30		CCEDRM
Cn1c(=O)[n-]c(NCCc2ccc(O)cc2)c(C#N)c1=O	ZINC001413888656	926411195	/nfs/dbraw/zinc/41/11/95/926411195.db2.gz	YIFFQUPTYCSEMM-UHFFFAOYSA-N	-1	0	286.291	0.305	20	30		CCEDRM
C#C[C@H](NC(=O)NC[C@@H](CC)C(=O)[O-])[C@H]1CCCO1	ZINC001356631924	926415694	/nfs/dbraw/zinc/41/56/94/926415694.db2.gz	PTHDVCJZWKGZQP-OUAUKWLOSA-N	-1	0	268.313	0.577	20	30		CCEDRM
N#Cc1c[n-]n2c1nc(CN1CCO[C@@H](C#N)C1)cc2=O	ZINC001421490152	926778393	/nfs/dbraw/zinc/77/83/93/926778393.db2.gz	CEYKWJMHPHYNMA-NSHDSACASA-N	-1	0	284.279	0.031	20	30		CCEDRM
C=CC[C@H](NC(=O)C1CCN(C(C)=O)CC1)C(=O)[O-]	ZINC000150082867	926946701	/nfs/dbraw/zinc/94/67/01/926946701.db2.gz	NYUFDDTTXJSIIX-NSHDSACASA-N	-1	0	268.313	0.390	20	30		CCEDRM
N#CC1CCN(C(=O)c2ccc(-c3nn[nH]n3)cn2)CC1	ZINC001361862658	927399932	/nfs/dbraw/zinc/39/99/32/927399932.db2.gz	JYPZOMPRXYSZKZ-UHFFFAOYSA-N	-1	0	283.295	0.637	20	30		CCEDRM
N#Cc1cccc(NC(=O)Cn2cc(C#N)c(=O)[n-]c2=O)c1	ZINC001362009035	927515020	/nfs/dbraw/zinc/51/50/20/927515020.db2.gz	HSNRTGSLOFPBCZ-UHFFFAOYSA-N	-1	0	295.258	0.331	20	30		CCEDRM
Cc1cc(C#N)c(=O)[n-]c1C(=O)NCC[C@H](C)[S@](C)=O	ZINC001362230729	927754128	/nfs/dbraw/zinc/75/41/28/927754128.db2.gz	VRUWLTKSVLEIGU-LXGOIASLSA-N	-1	0	295.364	0.854	20	30		CCEDRM
CO[C@]1(CNC(=O)c2[n-]c(=O)c(C#N)cc2C)CCOC1	ZINC001362296299	927841074	/nfs/dbraw/zinc/84/10/74/927841074.db2.gz	APUPJLRAXCZBFE-AWEZNQCLSA-N	-1	0	291.307	0.503	20	30		CCEDRM
Cn1c(C#N)ccc1C(=O)N1CCC[C@@H](c2nnn[n-]2)C1	ZINC001362315305	927866366	/nfs/dbraw/zinc/86/63/66/927866366.db2.gz	WPRLMOGAVXYFAX-SECBINFHSA-N	-1	0	285.311	0.430	20	30		CCEDRM
Cc1cc(C#N)c(=O)[n-]c1C(=O)N[C@H]1CCn2ccnc2C1	ZINC001362365725	927929358	/nfs/dbraw/zinc/92/93/58/927929358.db2.gz	IGJANVGTNQYWTD-NSHDSACASA-N	-1	0	297.318	0.909	20	30		CCEDRM
CCC(C)(C)CNC(=O)Cn1cc(C#N)c(=O)[n-]c1=O	ZINC001362652908	928308802	/nfs/dbraw/zinc/30/88/02/928308802.db2.gz	HCRNQMBJKNEWBO-UHFFFAOYSA-N	-1	0	278.312	0.373	20	30		CCEDRM
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CN(Cc1n[n-]c(=O)o1)C(=O)C1(C#N)CCSCC1	ZINC001363117760	928891227	/nfs/dbraw/zinc/89/12/27/928891227.db2.gz	NXGRDBRIVYXGPG-UHFFFAOYSA-N	-1	0	282.325	0.771	20	30		CCEDRM
Cn1c(=O)[n-]c(NCc2cccc(F)c2F)c(C#N)c1=O	ZINC001363157945	928930258	/nfs/dbraw/zinc/93/02/58/928930258.db2.gz	WSZOGRFZVFDKNK-UHFFFAOYSA-N	-1	0	292.245	0.836	20	30		CCEDRM
Cc1cc(C#N)c(=O)[n-]c1C(=O)N[C@@H]1CCC[C@@H]1CO	ZINC001363206801	928976323	/nfs/dbraw/zinc/97/63/23/928976323.db2.gz	NXOYREIJDGWRAM-MWLCHTKSSA-N	-1	0	275.308	0.858	20	30		CCEDRM
C[C@@]12COC[C@H]1C[N@H+](Cc1cc(=O)n3[n-]cc(C#N)c3n1)C2	ZINC001363264727	929047536	/nfs/dbraw/zinc/04/75/36/929047536.db2.gz	DBBNRVHWQWCGHX-IAQYHMDHSA-N	-1	0	299.334	0.775	20	30		CCEDRM
CC(C)CN(Cc1nnn[n-]1)C(=O)c1cccc(C#N)n1	ZINC001363277204	929061296	/nfs/dbraw/zinc/06/12/96/929061296.db2.gz	QZAUZZATRJTRDA-UHFFFAOYSA-N	-1	0	285.311	0.765	20	30		CCEDRM
N#Cc1c(NC(=O)c2c[n-]ncc2=O)n[nH]c1C1CC1	ZINC001363557044	929362064	/nfs/dbraw/zinc/36/20/64/929362064.db2.gz	HAKJQHQAKJLIHB-UHFFFAOYSA-N	-1	0	270.252	0.907	20	30		CCEDRM
N#CCc1ccc(CNC(=O)CCCc2nnn[n-]2)cc1	ZINC001363571400	929374286	/nfs/dbraw/zinc/37/42/86/929374286.db2.gz	BXVNAPQNLHZYGW-UHFFFAOYSA-N	-1	0	284.323	0.905	20	30		CCEDRM
CC(C)COC(=O)N(C)Cn1c(=O)[n-]cc(C#N)c1=O	ZINC001363765200	929556778	/nfs/dbraw/zinc/55/67/78/929556778.db2.gz	WRMLPDZWYSHCQN-UHFFFAOYSA-N	-1	0	280.284	0.090	20	30		CCEDRM
N#C[C@]1(C(=O)NCc2nc(=O)o[n-]2)CC12CCCC2	ZINC001446621858	930449744	/nfs/dbraw/zinc/44/97/44/930449744.db2.gz	WYMLEMVAZUYNCU-LBPRGKRZSA-N	-1	0	262.269	0.453	20	30		CCEDRM
N#Cc1cncn(CCOc2ccccc2C(=O)[O-])c1=O	ZINC001611304842	970986087	/nfs/dbraw/zinc/98/60/87/970986087.db2.gz	OPSLLBYLTGTQQI-UHFFFAOYSA-N	-1	0	285.259	0.892	20	30		CCEDRM
C#CCC[C@@H](O)CNC(=O)c1coc(/C=C\C(=O)[O-])c1	ZINC001602674933	971243565	/nfs/dbraw/zinc/24/35/65/971243565.db2.gz	GAOXMOUXNNPRDG-ISALQUGTSA-N	-1	0	277.276	0.882	20	30		CCEDRM
C#CC[C@@H](CCOC)NC(=O)N1CCC[C@@H](C(=O)[O-])C1	ZINC001602675295	971247941	/nfs/dbraw/zinc/24/79/41/971247941.db2.gz	PACQODPRTNDBDP-NEPJUHHUSA-N	-1	0	282.340	0.921	20	30		CCEDRM
C#CCN(CC(=O)[O-])C(=O)[C@](C)(C=C)CCOC	ZINC001602679626	971261398	/nfs/dbraw/zinc/26/13/98/971261398.db2.gz	UMBUIVVQBZHQKN-CYBMUJFWSA-N	-1	0	253.298	0.762	20	30		CCEDRM
C#CCN(CC(=O)[O-])C(=O)COCc1ncc(C)o1	ZINC001602682541	971268783	/nfs/dbraw/zinc/26/87/83/971268783.db2.gz	PYTDTWIAXWHEJW-UHFFFAOYSA-N	-1	0	266.253	0.046	20	30		CCEDRM
C#CCN(CC(=O)[O-])C(=O)NCC(C)(C)C(C)(C)O	ZINC001602683954	971276540	/nfs/dbraw/zinc/27/65/40/971276540.db2.gz	MOSADZSXRGTQFF-UHFFFAOYSA-N	-1	0	270.329	0.513	20	30		CCEDRM
C#CCN(CC(=O)[O-])C(=O)NCc1cc(C2CC2)n(C)n1	ZINC001602685623	971282422	/nfs/dbraw/zinc/28/24/22/971282422.db2.gz	BWVRKURNNRHOHO-UHFFFAOYSA-N	-1	0	290.323	0.527	20	30		CCEDRM
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C#CCN(CC(=O)[O-])C(=O)c1ccc(O)c(OC)c1	ZINC001602691657	971297731	/nfs/dbraw/zinc/29/77/31/971297731.db2.gz	RBTWOZIVXLZXSP-UHFFFAOYSA-N	-1	0	263.249	0.561	20	30		CCEDRM
C#CCN(CC(=O)[O-])C(=O)Nc1cnn(-c2ccccc2)n1	ZINC001602688495	971290983	/nfs/dbraw/zinc/29/09/83/971290983.db2.gz	NLUCSJVUWGCJBU-UHFFFAOYSA-N	-1	0	299.290	0.819	20	30		CCEDRM
C#CCN(CC(=O)[O-])C[C@@H](O)C[C@H](O)c1ccccc1	ZINC001602695782	971312939	/nfs/dbraw/zinc/31/29/39/971312939.db2.gz	SMRUFQYHABDJFD-KBPBESRZSA-N	-1	0	277.320	0.491	20	30		CCEDRM
C#CCN(CC(=O)[O-])C[C@@H](O)COc1ccccc1C#N	ZINC001602695725	971311455	/nfs/dbraw/zinc/31/14/55/971311455.db2.gz	RBPUZHWWACDIFW-CYBMUJFWSA-N	-1	0	288.303	0.318	20	30		CCEDRM
C#CCN(CC(=O)[O-])c1nnc([C@H]2C[C@H]2C#N)n1CC	ZINC001602701004	971325599	/nfs/dbraw/zinc/32/55/99/971325599.db2.gz	RHPNLOSXGOPPBJ-UWVGGRQHSA-N	-1	0	273.296	0.449	20	30		CCEDRM
C#CCN(CC1CC1)CN1C[C@@H](C(=O)[O-])CC1=O	ZINC001602701114	971326257	/nfs/dbraw/zinc/32/62/57/971326257.db2.gz	WSSPOTIFQWTKRE-NSHDSACASA-N	-1	0	250.298	0.222	20	30		CCEDRM
C=C(C)C[C@@H](CO)NC(=O)C1(C(=O)[O-])CCOCC1	ZINC001602706853	971339482	/nfs/dbraw/zinc/33/94/82/971339482.db2.gz	CTZKNHXYCYVPDZ-JTQLQIEISA-N	-1	0	271.313	0.311	20	30		CCEDRM
C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)C(=O)N(C)CCC(=O)[O-]	ZINC001602706943	971340675	/nfs/dbraw/zinc/34/06/75/971340675.db2.gz	GCGDXOOUPAWCJR-PWSUYJOCSA-N	-1	0	298.339	0.017	20	30		CCEDRM
C=C[C@@H](O)c1nnc(N2CCC[C@H](C(=O)[O-])C2)n1C	ZINC001602717184	971364436	/nfs/dbraw/zinc/36/44/36/971364436.db2.gz	CLZWXWMQCOCZBB-DTWKUNHWSA-N	-1	0	266.301	0.336	20	30		CCEDRM
C=C[C@@H](OC(=O)C1(CC(=O)[O-])CCC1)C(=O)OC	ZINC001602717313	971366363	/nfs/dbraw/zinc/36/63/63/971366363.db2.gz	IBPOVWGPZDWSAL-MRVPVSSYSA-N	-1	0	256.254	0.902	20	30		CCEDRM
C=CCCOCCNC(=O)[C@]1(C(=O)[O-])CCCO1	ZINC001602722010	971385871	/nfs/dbraw/zinc/38/58/71/971385871.db2.gz	OJLKXWWFTCELQU-LBPRGKRZSA-N	-1	0	257.286	0.329	20	30		CCEDRM
CC#CC[C@H](CO)NC(=O)NCc1ccc(C(=O)[O-])cc1	ZINC001602735045	971415773	/nfs/dbraw/zinc/41/57/73/971415773.db2.gz	LRNJPFMMYDNUGX-CYBMUJFWSA-N	-1	0	290.319	0.958	20	30		CCEDRM
C[C@](C#N)(CC(=O)[O-])C(=O)NCC1(CCO)CC1	ZINC001602781002	971521408	/nfs/dbraw/zinc/52/14/08/971521408.db2.gz	PXBGBRUHELIWPB-LLVKDONJSA-N	-1	0	254.286	0.270	20	30		CCEDRM
C[C@@](C#N)(CC(=O)[O-])C(=O)OCc1cc2n(n1)CCC2	ZINC001602781803	971526808	/nfs/dbraw/zinc/52/68/08/971526808.db2.gz	JPDUQJYIIMSACM-ZDUSSCGKSA-N	-1	0	277.280	0.877	20	30		CCEDRM
C[C@@](C#N)(CC(=O)[O-])C(=O)Nc1cc(C#N)ccn1	ZINC001602782078	971527203	/nfs/dbraw/zinc/52/72/03/971527203.db2.gz	PEGPKPVPNFOXSP-LBPRGKRZSA-N	-1	0	258.237	0.896	20	30		CCEDRM
C[C@H](C#N)OCCOC(=O)c1cnc(C(=O)[O-])cn1	ZINC001602786527	971535137	/nfs/dbraw/zinc/53/51/37/971535137.db2.gz	WLXJTSIGFKQNMF-SSDOTTSWSA-N	-1	0	265.225	0.260	20	30		CCEDRM
C#CCN(CC(=O)[O-])CC(=O)Nc1oc(C)c(C)c1C#N	ZINC000092482285	949155268	/nfs/dbraw/zinc/15/52/68/949155268.db2.gz	JCZIWEMZYFSODD-UHFFFAOYSA-N	-1	0	289.291	0.726	20	30		CCEDRM
C#CCN(CC(=O)[O-])Cc1nc(-c2ccco2)no1	ZINC000092483486	949157162	/nfs/dbraw/zinc/15/71/62/949157162.db2.gz	ZVTZHXWITZCMFZ-UHFFFAOYSA-N	-1	0	261.237	0.849	20	30		CCEDRM
C#CCN(CC(=O)[O-])Cc1ccc(C(=O)OC)cc1	ZINC000092491882	949163503	/nfs/dbraw/zinc/16/35/03/949163503.db2.gz	VXYPFZQROSLART-UHFFFAOYSA-N	-1	0	261.277	0.993	20	30		CCEDRM
CCCCN(O)C(=O)C1(C(=O)[O-])CCS(=O)(=O)CC1	ZINC001589650128	949766478	/nfs/dbraw/zinc/76/64/78/949766478.db2.gz	AKPYOAXWEABAKC-UHFFFAOYSA-N	-1	0	293.341	0.284	20	30		CCEDRM
CCN(C[C@@H](C)C#N)C(=O)[C@@]1(C(=O)[O-])CCCO1	ZINC001589719382	950402782	/nfs/dbraw/zinc/40/27/82/950402782.db2.gz	FOWAOPGYWCRTAB-JOYOIKCWSA-N	-1	0	254.286	0.628	20	30		CCEDRM
CCN(C[C@H](C)C#N)C(=O)COC(=O)[C@H](C)C(=O)[O-]	ZINC001589720088	950410677	/nfs/dbraw/zinc/41/06/77/950410677.db2.gz	MJLWLSYUTGESRZ-RKDXNWHRSA-N	-1	0	270.285	0.258	20	30		CCEDRM
CCN(CCC#N)C(=O)CN1CCC[C@@H](C)[C@H]1C(=O)[O-]	ZINC001589729900	950488590	/nfs/dbraw/zinc/48/85/90/950488590.db2.gz	GNVAHOAOJDDLAD-YPMHNXCESA-N	-1	0	281.356	0.934	20	30		CCEDRM
CCOC(=O)[C@H](C)[C@@H](C)NC(=O)[C@@](C)(C#N)CC(=O)[O-]	ZINC001590058587	950778468	/nfs/dbraw/zinc/77/84/68/950778468.db2.gz	PLAKPSGAXHYXJG-JRKPZEMJSA-N	-1	0	284.312	0.695	20	30		CCEDRM
CCOC(=O)[C@H](C)[C@H](C)NC(=O)[C@](C)(C#N)CC(=O)[O-]	ZINC001590058594	950779080	/nfs/dbraw/zinc/77/90/80/950779080.db2.gz	PLAKPSGAXHYXJG-ZDMBXUJBSA-N	-1	0	284.312	0.695	20	30		CCEDRM
O=C([O-])[C@@H]1CC[C@H]1C(=O)NCC#C[C@H]1CCCCO1	ZINC001595179662	952247634	/nfs/dbraw/zinc/24/76/34/952247634.db2.gz	HLWONGZMMTXRQQ-IJLUTSLNSA-N	-1	0	265.309	0.786	20	30		CCEDRM
O=C([O-])c1ncccc1NC(=O)N[C@H]1CCCN(O)C1=O	ZINC001594811750	953835652	/nfs/dbraw/zinc/83/56/52/953835652.db2.gz	JGKOGRIXNPKCNJ-QMMMGPOBSA-N	-1	0	294.267	0.282	20	30		CCEDRM
C[C@@H]1CCN(Cn2cccc(C#N)c2=O)C[C@H]1C(=O)[O-]	ZINC001589356063	954145796	/nfs/dbraw/zinc/14/57/96/954145796.db2.gz	YUGGJGRBKNMYFO-ZYHUDNBSSA-N	-1	0	275.308	0.720	20	30		CCEDRM
O=C([O-])[C@@]1(C(=O)NCC#Cc2ccccc2)CCCO1	ZINC001594856289	954237489	/nfs/dbraw/zinc/23/74/89/954237489.db2.gz	SCJDBPQLCDPVSY-HNNXBMFYSA-N	-1	0	273.288	0.788	20	30		CCEDRM
CC(C)[C@H](CNC(=O)Cc1ccc(C#N)nc1)C(=O)[O-]	ZINC001602978723	971997823	/nfs/dbraw/zinc/99/78/23/971997823.db2.gz	ORVIPMOMAUDHLH-LBPRGKRZSA-N	-1	0	275.308	0.969	20	30		CCEDRM
C[C@H]1CN(c2cnc(C#N)c(C#N)n2)CC[C@@H]1C(=O)[O-]	ZINC001589402931	954456076	/nfs/dbraw/zinc/45/60/76/954456076.db2.gz	RITYHVGSTWWPIJ-IUCAKERBSA-N	-1	0	271.280	0.767	20	30		CCEDRM
CC[C@@H](C(=O)[O-])N(C)C(=O)C1(C#N)CCOCC1	ZINC001589432178	954652679	/nfs/dbraw/zinc/65/26/79/954652679.db2.gz	COOAERLKIJZQDM-VIFPVBQESA-N	-1	0	254.286	0.628	20	30		CCEDRM
CCN(C[C@@H](C)C#N)C(=O)c1cc(C(=O)[O-])no1	ZINC000386352993	972047302	/nfs/dbraw/zinc/04/73/02/972047302.db2.gz	BSSDSRASAKQSBI-ZETCQYMHSA-N	-1	0	251.242	0.995	20	30		CCEDRM
Cc1oc(C#N)cc1C(=O)N1CCO[C@H](C(=O)[O-])C1	ZINC001594506159	955357816	/nfs/dbraw/zinc/35/78/16/955357816.db2.gz	FVPDNCQRAJZGEL-JTQLQIEISA-N	-1	0	264.237	0.385	20	30		CCEDRM
COC(=O)CN(CC#N)C(=O)[C@H]1CC[C@@H](C(=O)[O-])C1	ZINC001593850334	955448767	/nfs/dbraw/zinc/44/87/67/955448767.db2.gz	AOLJLEDAGRKPNP-DTWKUNHWSA-N	-1	0	268.269	0.012	20	30		CCEDRM
COC(=O)c1cccc(C=NNCCC(=O)[O-])c1	ZINC001593885834	955747637	/nfs/dbraw/zinc/74/76/37/955747637.db2.gz	OUYNPFNNFXGDQL-UHFFFAOYSA-N	-1	0	250.254	0.871	20	30		CCEDRM
C[C@H](Cc1ccc(C#N)cc1)C(=O)OCC(=O)C(=O)[O-]	ZINC001589079103	955839591	/nfs/dbraw/zinc/83/95/91/955839591.db2.gz	KSUOTXWQNBVQLU-SECBINFHSA-N	-1	0	275.260	0.934	20	30		CCEDRM
Cn1nc(C(=O)[O-])cc1/C=C\c1cnc(C#N)cn1	ZINC001594569852	955868631	/nfs/dbraw/zinc/86/86/31/955868631.db2.gz	WHHCVPYTRPBXKR-IHWYPQMZSA-N	-1	0	255.237	0.950	20	30		CCEDRM
Cn1nc(C(=O)[O-])cc1CN=Nc1ncc(F)cn1	ZINC001594571687	955888029	/nfs/dbraw/zinc/88/80/29/955888029.db2.gz	DZADGVJUAZQTOS-UHFFFAOYSA-N	-1	0	264.220	0.493	20	30		CCEDRM
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CO[C@H](C(=O)[O-])C(=O)NCc1ccc(C)c(C#N)c1	ZINC001593907838	955944955	/nfs/dbraw/zinc/94/49/55/955944955.db2.gz	AACLVDOKVDJSGE-NSHDSACASA-N	-1	0	262.265	0.583	20	30		CCEDRM
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N#Cc1cc(O)cc(C(=O)N2CCO[C@H](C(=O)[O-])C2)c1	ZINC001594617101	956246729	/nfs/dbraw/zinc/24/67/29/956246729.db2.gz	CYBUWJSKJZLGJG-NSHDSACASA-N	-1	0	276.248	0.189	20	30		CCEDRM
N#Cc1ccc(C(=O)OCCOCCC(=O)[O-])o1	ZINC001594617875	956256913	/nfs/dbraw/zinc/25/69/13/956256913.db2.gz	NVRVRONXIMRXEJ-UHFFFAOYSA-N	-1	0	253.210	0.799	20	30		CCEDRM
N#Cc1ccc(C[C@@H](C#N)C(=O)OCC(=O)[O-])cc1	ZINC001594618216	956261883	/nfs/dbraw/zinc/26/18/83/956261883.db2.gz	JBQMKDCXHDWIMP-NSHDSACASA-N	-1	0	258.233	0.868	20	30		CCEDRM
N#Cc1ccc(N2CCO[C@H](C(=O)[O-])C2)c(CO)c1	ZINC001594622041	956290053	/nfs/dbraw/zinc/29/00/53/956290053.db2.gz	XWCKVNWVARVBMP-LBPRGKRZSA-N	-1	0	262.265	0.340	20	30		CCEDRM
N#Cc1cccc([C@@H]2C[C@H]2C(=O)NCCOCC(=O)[O-])c1	ZINC001594628697	956334749	/nfs/dbraw/zinc/33/47/49/956334749.db2.gz	LJKGHIRPSMKTSV-QWHCGFSZSA-N	-1	0	288.303	0.879	20	30		CCEDRM
N#Cc1cn(CC(=O)[O-])c(=O)n([C@H]2C=CCCC2)c1=O	ZINC001594632793	956354110	/nfs/dbraw/zinc/35/41/10/956354110.db2.gz	BTYGSIXXBPYDMU-JTQLQIEISA-N	-1	0	275.264	0.247	20	30		CCEDRM
N#Cc1csc(CNC(=O)[C@@H](C(=O)[O-])C2CC2)n1	ZINC001594634542	956363031	/nfs/dbraw/zinc/36/30/31/956363031.db2.gz	LOAFBQCHZAEZDO-VIFPVBQESA-N	-1	0	265.294	0.742	20	30		CCEDRM
CO[C@@H]1CCN(C(=O)[C@@](C)(C#N)CC(=O)[O-])C[C@@H]1C	ZINC001593950340	956374273	/nfs/dbraw/zinc/37/42/73/956374273.db2.gz	VSKVNZIGCFMHIP-OPQQBVKSSA-N	-1	0	268.313	0.874	20	30		CCEDRM
C[C@@]1(C#N)CN(C(=O)[C@H](C(=O)[O-])C2CC2)CCO1	ZINC001589182288	956535036	/nfs/dbraw/zinc/53/50/36/956535036.db2.gz	YBTZYRGIIREFQB-BXKDBHETSA-N	-1	0	252.270	0.238	20	30		CCEDRM
C[C@]1(C#N)CCCN(C(=O)C(=O)N[C@H]2C[C@@H](C(=O)[O-])C2)C1	ZINC001589182699	956539724	/nfs/dbraw/zinc/53/97/24/956539724.db2.gz	OMUQRIPDEQMEDO-ISTVAULSSA-N	-1	0	293.323	0.118	20	30		CCEDRM
CC[C@@H](CC#N)NS(=O)(=O)c1n[nH]cc1C(=O)[O-]	ZINC000054176982	957523002	/nfs/dbraw/zinc/52/30/02/957523002.db2.gz	NHZAGUSYONWFIN-LURJTMIESA-N	-1	0	272.286	0.078	20	30		CCEDRM
Cc1cc(C#N)cnc1C(=O)N1CCO[C@H](C(=O)[O-])C1	ZINC001594274447	957709353	/nfs/dbraw/zinc/70/93/53/957709353.db2.gz	LTRVACJNHRMDJI-JTQLQIEISA-N	-1	0	275.264	0.187	20	30		CCEDRM
CON(C(=O)COc1ccccc1C#N)[C@@H](C)C(=O)[O-]	ZINC001594035256	957807138	/nfs/dbraw/zinc/80/71/38/957807138.db2.gz	MJUFOOIEWULOSP-VIFPVBQESA-N	-1	0	278.264	0.800	20	30		CCEDRM
C#CC1(F)CN(C(=O)c2cccc(OCC(=O)[O-])c2)C1	ZINC001588386338	957976524	/nfs/dbraw/zinc/97/65/24/957976524.db2.gz	OSNJTGGOUJHZFI-UHFFFAOYSA-N	-1	0	277.251	0.947	20	30		CCEDRM
C#CC1(NC(=O)c2cccn(CC(=O)[O-])c2=O)CCCC1	ZINC001588386563	957979970	/nfs/dbraw/zinc/97/99/70/957979970.db2.gz	ROTHHCYMIYNTNA-UHFFFAOYSA-N	-1	0	288.303	0.609	20	30		CCEDRM
C#C[C@H](NC(=O)[C@]1(C(=O)[O-])CCCO1)C1CCOCC1	ZINC001588386930	957982677	/nfs/dbraw/zinc/98/26/77/957982677.db2.gz	DWZNZOULEWJLIO-FZMZJTMJSA-N	-1	0	281.308	0.165	20	30		CCEDRM
C#C[C@H](NC(=O)[C@]1(C(=O)[O-])CC1(C)C)[C@H]1CCCO1	ZINC001588387393	957987045	/nfs/dbraw/zinc/98/70/45/957987045.db2.gz	IUIUHJQEDWHCAY-RBZYPMLTSA-N	-1	0	265.309	0.784	20	30		CCEDRM
C#C[C@H](NC(=O)[C@H]1CCCN(CC(=O)[O-])C1=O)C(C)C	ZINC001588387888	957990459	/nfs/dbraw/zinc/99/04/59/957990459.db2.gz	MUYBMZVDJPKNOD-MNOVXSKESA-N	-1	0	280.324	0.084	20	30		CCEDRM
C#CC[C@@H](CCOC)NC(=O)NC[C@@H](C)C(=O)[O-]	ZINC001588389494	958008479	/nfs/dbraw/zinc/00/84/79/958008479.db2.gz	VSBZITUNKFPUNA-ZJUUUORDSA-N	-1	0	256.302	0.435	20	30		CCEDRM
C#CCCCc1nnc(N(CC#C)CC(=O)[O-])n1CC	ZINC001588390843	958016010	/nfs/dbraw/zinc/01/60/10/958016010.db2.gz	OBDXTXNMKVZTOX-UHFFFAOYSA-N	-1	0	274.324	0.778	20	30		CCEDRM
C#CC[C@@H]1CCN(S(=O)(=O)N2CCC[C@H]2C(=O)[O-])C1	ZINC001588391454	958023344	/nfs/dbraw/zinc/02/33/44/958023344.db2.gz	HKOASWXDPYUTPQ-MNOVXSKESA-N	-1	0	286.353	0.125	20	30		CCEDRM
C#CC[C@@H]1NC(=O)N(Cc2ccc(C(=O)[O-])cc2)C1=O	ZINC001588391841	958028937	/nfs/dbraw/zinc/02/89/37/958028937.db2.gz	OTDWKXPQEBTPHI-NSHDSACASA-N	-1	0	272.260	0.829	20	30		CCEDRM
C#CCN(CC(=O)[O-])C(=O)C(C)(C)C(=O)OCC	ZINC001588397798	958064246	/nfs/dbraw/zinc/06/42/46/958064246.db2.gz	VAWYUGCMFSLDAE-UHFFFAOYSA-N	-1	0	255.270	0.122	20	30		CCEDRM
C#CCN(CC(=O)[O-])C(=O)[C@@]1(C2CCCC2)CCNC1=O	ZINC001588397964	958066222	/nfs/dbraw/zinc/06/62/22/958066222.db2.gz	ZUHQKDRBNQGBLI-OAHLLOKOSA-N	-1	0	292.335	0.229	20	30		CCEDRM
C#CCN(CC(=O)[O-])C(=O)[C@H]1CC(=O)N([C@H](C)CCC)C1	ZINC001588398666	958068051	/nfs/dbraw/zinc/06/80/51/958068051.db2.gz	BCPQWGSPPQDZSE-NEPJUHHUSA-N	-1	0	294.351	0.570	20	30		CCEDRM
C#CCN(CC(=O)[O-])C(=O)NC[C@H](C)Cn1cccn1	ZINC001588409108	958123062	/nfs/dbraw/zinc/12/30/62/958123062.db2.gz	BTPDRAHJZSUQKM-NSHDSACASA-N	-1	0	278.312	0.249	20	30		CCEDRM
C#CCN(CC(=O)[O-])C(=O)NCc1cccc(C(N)=O)c1	ZINC001588409520	958127309	/nfs/dbraw/zinc/12/73/09/958127309.db2.gz	YNYZTCHAVKQIST-UHFFFAOYSA-N	-1	0	289.291	0.015	20	30		CCEDRM
C#CCN(CC(=O)[O-])C(=O)c1ccc(F)c(C)c1N	ZINC001588416033	958161824	/nfs/dbraw/zinc/16/18/24/958161824.db2.gz	FRYNENFTFGMLLB-UHFFFAOYSA-N	-1	0	264.256	0.876	20	30		CCEDRM
C#CCN(CC(=O)[O-])C(=O)c1c(OC)ccnc1OC	ZINC001588417291	958169487	/nfs/dbraw/zinc/16/94/87/958169487.db2.gz	GQMFTHMCMYMDOR-UHFFFAOYSA-N	-1	0	278.264	0.259	20	30		CCEDRM
C#CCN(CC(=O)[O-])C(=O)c1cnn(C(C)(C)C)c1	ZINC001588418424	958179323	/nfs/dbraw/zinc/17/93/23/958179323.db2.gz	FPOOVVVPGASORQ-UHFFFAOYSA-N	-1	0	263.297	0.798	20	30		CCEDRM
C#CCN(CC(=O)[O-])[C@@H]1C[C@@H]2CCCC[C@H]2NC1=O	ZINC001588419677	958193889	/nfs/dbraw/zinc/19/38/89/958193889.db2.gz	ASQLPIRDRNGCJC-QJPTWQEYSA-N	-1	0	264.325	0.454	20	30		CCEDRM
C#CCN(CC(=O)[O-])Cc1cnc(N(C)C)n1C	ZINC001588425572	958227214	/nfs/dbraw/zinc/22/72/14/958227214.db2.gz	YQLZRRWYBPOTOB-UHFFFAOYSA-N	-1	0	250.302	0.006	20	30		CCEDRM
C#CCN(CC(=O)[O-])c1nnc(-c2n[nH]cc2C)n1C	ZINC001588426268	958227798	/nfs/dbraw/zinc/22/77/98/958227798.db2.gz	DRAWECSFMHOPAM-UHFFFAOYSA-N	-1	0	274.284	0.038	20	30		CCEDRM
C#CCN(CC(=O)[O-])c1nnnn1C[C@@H]1CCO[C@H](C)C1	ZINC001588426717	958231780	/nfs/dbraw/zinc/23/17/80/958231780.db2.gz	ABJNPSSIBFVBPG-GHMZBOCLSA-N	-1	0	293.327	0.012	20	30		CCEDRM
C#CCOCCC(=O)N1CC[C@H](C)[C@H](C(=O)[O-])C1	ZINC001588430674	958258983	/nfs/dbraw/zinc/25/89/83/958258983.db2.gz	FQWVEGSLTCUCQT-WDEREUQCSA-N	-1	0	253.298	0.596	20	30		CCEDRM
C#CCNC(=O)[C@H](C)OC(=O)c1ccc(C(=O)[O-])cn1	ZINC001588431324	958268070	/nfs/dbraw/zinc/26/80/70/958268070.db2.gz	WHUYMZFVLPVURO-QMMMGPOBSA-N	-1	0	276.248	0.075	20	30		CCEDRM
C#CCN1CCC[C@H](NC(=O)NC[C@H](C)C(=O)[O-])C1	ZINC001588431532	958269825	/nfs/dbraw/zinc/26/98/25/958269825.db2.gz	ZWEBMBWKVFQOCH-QWRGUYRKSA-N	-1	0	267.329	0.104	20	30		CCEDRM
C#CCN(CCNC(=O)OC(C)(C)C)CC(=O)[O-]	ZINC001588432233	958278517	/nfs/dbraw/zinc/27/85/17/958278517.db2.gz	GBRCYLZYYFNKHQ-UHFFFAOYSA-N	-1	0	256.302	0.531	20	30		CCEDRM
C#CCOc1ccccc1OC(=O)[C@@H](OC)C(=O)[O-]	ZINC001588433184	958292840	/nfs/dbraw/zinc/29/28/40/958292840.db2.gz	MCSYPVVTPIJVDX-NSHDSACASA-N	-1	0	264.233	0.704	20	30		CCEDRM
N#Cc1ccc(NCCOCC(=O)[O-])cc1[N+](=O)[O-]	ZINC000094592609	958296487	/nfs/dbraw/zinc/29/64/87/958296487.db2.gz	UQNXAAYFUCTWBR-UHFFFAOYSA-N	-1	0	265.225	0.980	20	30		CCEDRM
C#CCn1ccc(CN(CC)C(=O)[C@]2(C(=O)[O-])C[C@H]2C)n1	ZINC001588433604	958298982	/nfs/dbraw/zinc/29/89/82/958298982.db2.gz	TYJYJQHWXMHHGB-ABAIWWIYSA-N	-1	0	289.335	0.976	20	30		CCEDRM
C#Cc1ccc(NCCS(=O)(=O)CC(=O)[O-])cc1	ZINC001588438868	958307157	/nfs/dbraw/zinc/30/71/57/958307157.db2.gz	FQKANYVDYPSILG-UHFFFAOYSA-N	-1	0	267.306	0.579	20	30		CCEDRM
C#Cc1cncc(C(=O)N2CC[C@](COC)(C(=O)[O-])C2)c1	ZINC001588439171	958313285	/nfs/dbraw/zinc/31/32/85/958313285.db2.gz	HZCRUBXLCDTYFR-HNNXBMFYSA-N	-1	0	288.303	0.626	20	30		CCEDRM
Cc1ccc(C(=O)/C=C/C(=O)NC[C@@](C)(O)C(=O)[O-])cc1	ZINC001594343175	958314338	/nfs/dbraw/zinc/31/43/38/958314338.db2.gz	RRAHDVWTNBQLOB-MVGZEHJDSA-N	-1	0	291.303	0.686	20	30		CCEDRM
C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)[C@](C)(OC)C(=O)[O-]	ZINC001588441073	958333634	/nfs/dbraw/zinc/33/36/34/958333634.db2.gz	FGMVNGLMRFCCQU-NRUUGDAUSA-N	-1	0	271.313	0.574	20	30		CCEDRM
C=C(C)C[C@@H](CO)NC(=O)N[C@H]1CC[C@@H](C(=O)[O-])C1	ZINC001588442079	958341666	/nfs/dbraw/zinc/34/16/66/958341666.db2.gz	OMDCMITUMYBRGJ-VWYCJHECSA-N	-1	0	270.329	0.866	20	30		CCEDRM
C=C[C@@H](C(=O)OC)N1CC[C@](COC)(C(=O)[O-])C1	ZINC001588450394	958391772	/nfs/dbraw/zinc/39/17/72/958391772.db2.gz	IMEMDBFXFHNGTN-CABZTGNLSA-N	-1	0	257.286	0.137	20	30		CCEDRM
C=CC(C)(C)C(=O)OCc1cn(CC(=O)[O-])nn1	ZINC001588450562	958396091	/nfs/dbraw/zinc/39/60/91/958396091.db2.gz	RLWOZJBZDHWXED-UHFFFAOYSA-N	-1	0	253.258	0.618	20	30		CCEDRM
C#CCN(CC(=O)[O-])C(=O)[C@H]1CC[C@H]1C(=O)OCC	ZINC001573318022	958458900	/nfs/dbraw/zinc/45/89/00/958458900.db2.gz	RRUWDPYVFKEXKJ-VHSXEESVSA-N	-1	0	267.281	0.122	20	30		CCEDRM
C#CCN(CC(=O)[O-])C(=O)[C@@H]1CC(=O)N(C(CC)CC)C1	ZINC001573318303	958462457	/nfs/dbraw/zinc/46/24/57/958462457.db2.gz	NIIDTQCIYOQSRQ-LLVKDONJSA-N	-1	0	294.351	0.570	20	30		CCEDRM
C=CCNC(=O)COC(=O)[C@@H](C(=O)[O-])C1CCCC1	ZINC001588465379	958501947	/nfs/dbraw/zinc/50/19/47/958501947.db2.gz	HBJYQAYXMNHXCG-LLVKDONJSA-N	-1	0	269.297	0.723	20	30		CCEDRM
C=CCNC(=O)[C@@H](C#N)C(=O)[C@H]1CC[C@H]1C(=O)[O-]	ZINC001588465517	958504529	/nfs/dbraw/zinc/50/45/29/958504529.db2.gz	PKUHLWGVGBQJCD-YIZRAAEISA-N	-1	0	250.254	0.108	20	30		CCEDRM
C=CCn1c(CC(C)(C)O)nnc1N1CC[C@H](C(=O)[O-])C1	ZINC001588473105	958550339	/nfs/dbraw/zinc/55/03/39/958550339.db2.gz	XUINRRCEMBOHEB-JTQLQIEISA-N	-1	0	294.355	0.688	20	30		CCEDRM
CC#CC(=O)NC[C@@H]1CCC2(CC(C(=O)[O-])C2)O1	ZINC001588478649	958570464	/nfs/dbraw/zinc/57/04/64/958570464.db2.gz	GEPIAIVHBTWHFN-QUNCOHTASA-N	-1	0	251.282	0.538	20	30		CCEDRM
CC#CC[C@H](CO)NC(=O)NCC1(C(=O)[O-])CCC1	ZINC001588478800	958572055	/nfs/dbraw/zinc/57/20/55/958572055.db2.gz	LQODLKFGANPEAR-SNVBAGLBSA-N	-1	0	268.313	0.315	20	30		CCEDRM
C[C@](C#N)(CC(=O)[O-])C(=O)N1CCO[C@@H]2CCC[C@@H]21	ZINC001573359759	958587465	/nfs/dbraw/zinc/58/74/65/958587465.db2.gz	GVNGCLTTYULJKE-OPQQBVKSSA-N	-1	0	266.297	0.771	20	30		CCEDRM
C[C@](C#N)(CC(=O)[O-])C(=O)Nc1cnc2nccn2c1	ZINC001573362403	958597831	/nfs/dbraw/zinc/59/78/31/958597831.db2.gz	AQDITSCDGVJZIF-GFCCVEGCSA-N	-1	0	273.252	0.672	20	30		CCEDRM
C[C@](C#N)(CC(=O)[O-])C(=O)NCc1noc2c1COCC2	ZINC001573362539	958600521	/nfs/dbraw/zinc/60/05/21/958600521.db2.gz	DBJCZLQRRISIHP-CYBMUJFWSA-N	-1	0	293.279	0.368	20	30		CCEDRM
CC(N=Nc1ncncc1F)c1cn(CC(=O)[O-])nn1	ZINC001588485863	958607945	/nfs/dbraw/zinc/60/79/45/958607945.db2.gz	MZMZGRZPUSUPHC-UHFFFAOYSA-N	-1	0	279.235	0.128	20	30		CCEDRM
N#Cc1ccc(C(=O)N2CCOC[C@H]2CC(=O)[O-])nc1	ZINC000129369109	958699147	/nfs/dbraw/zinc/69/91/47/958699147.db2.gz	HCELOSQUOFJLJU-SNVBAGLBSA-N	-1	0	275.264	0.269	20	30		CCEDRM
C[C@](C#N)(CC(=O)[O-])C(=O)N1CC([C@@H]2CCOC2)C1	ZINC001588535874	958932616	/nfs/dbraw/zinc/93/26/16/958932616.db2.gz	RSLVQZUBRRCOFE-NOZJJQNGSA-N	-1	0	266.297	0.486	20	30		CCEDRM
CC(C)([NH2+]Cc1cc(=O)n2[n-]cc(C#N)c2n1)C(=O)[O-]	ZINC001573482931	958975094	/nfs/dbraw/zinc/97/50/94/958975094.db2.gz	JWLNGHWXQDRZMQ-UHFFFAOYSA-N	-1	0	275.268	0.259	20	30		CCEDRM
C#C[C@H](C)NS(=O)(=O)c1ccc(C(=O)[O-])cc1	ZINC000158966841	959100889	/nfs/dbraw/zinc/10/08/89/959100889.db2.gz	DKSKFPVDAZQXLU-QMMMGPOBSA-N	-1	0	253.279	0.685	20	30		CCEDRM
CC(C)[C@@H](C#N)N1CCN(C(=O)[C@@H](C)C(=O)[O-])CC1	ZINC001588566096	959148874	/nfs/dbraw/zinc/14/88/74/959148874.db2.gz	TVWGTEYLNKFYKO-GHMZBOCLSA-N	-1	0	267.329	0.399	20	30		CCEDRM
C[C@H](CC#N)N(C)S(=O)(=O)N[C@H]1CCC[C@H]1C(=O)[O-]	ZINC001573536284	959169881	/nfs/dbraw/zinc/16/98/81/959169881.db2.gz	YIGCXUSXRLRRRM-BBBLOLIVSA-N	-1	0	289.357	0.308	20	30		CCEDRM
C#CC[C@@H](NS(=O)(=O)c1cc(F)cc(F)c1)C(=O)[O-]	ZINC000161250304	959177674	/nfs/dbraw/zinc/17/76/74/959177674.db2.gz	SFFRXLCRVIZQNX-SNVBAGLBSA-N	-1	0	289.259	0.720	20	30		CCEDRM
O=C(NCC#C[C@@H]1CCCCO1)N[C@H]1C[C@H](C(=O)[O-])C1	ZINC001605753192	972416374	/nfs/dbraw/zinc/41/63/74/972416374.db2.gz	YOIRQMCPQNXVFM-SRVKXCTJSA-N	-1	0	280.324	0.721	20	30		CCEDRM
C=C(Cl)CNS(=O)(=O)c1n[nH]cc1C(=O)[O-]	ZINC000167681002	959354838	/nfs/dbraw/zinc/35/48/38/959354838.db2.gz	OMLYMKJUTUOFHG-UHFFFAOYSA-N	-1	0	265.678	0.139	20	30		CCEDRM
C[C@@]1(C#N)CCCN(C(=O)[C@H]2CC(C(=O)[O-])=NO2)C1	ZINC001573643364	959627067	/nfs/dbraw/zinc/62/70/67/959627067.db2.gz	OGXRXFZQKVFCHL-SKDRFNHKSA-N	-1	0	265.269	0.368	20	30		CCEDRM
Cc1c(C(=O)NC[C@H](C)C(=O)[O-])cnn1CCC#N	ZINC001594257176	959661121	/nfs/dbraw/zinc/66/11/21/959661121.db2.gz	GABKPEOZRCGQQC-QMMMGPOBSA-N	-1	0	264.285	0.556	20	30		CCEDRM
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Cn1nc(C(=O)[O-])cc1NC(=O)NCC(C)(C)C#N	ZINC001570984423	963109652	/nfs/dbraw/zinc/10/96/52/963109652.db2.gz	CDGJFSZWPYTMIR-UHFFFAOYSA-N	-1	0	265.273	0.790	20	30		CCEDRM
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N#CC1(CC(=O)N[C@H](CC2OCCO2)C(=O)[O-])CC1	ZINC001570990092	963147363	/nfs/dbraw/zinc/14/73/63/963147363.db2.gz	VYGIDTYXUNSMPR-MRVPVSSYSA-N	-1	0	268.269	0.013	20	30		CCEDRM
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CC[C@H](C)[C@H](NC(=O)[C@H](C)n1cnc(C#N)n1)C(=O)[O-]	ZINC001594883925	982257909	/nfs/dbraw/zinc/25/79/09/982257909.db2.gz	DAYAPWFWICYUQR-NRPADANISA-N	-1	0	279.300	0.326	20	30		CCEDRM
CC[C@@H](C)[C@@H](NC(=O)Cn1cc(C#N)cn1)C(=O)[O-]	ZINC001594908185	982397096	/nfs/dbraw/zinc/39/70/96/982397096.db2.gz	DNJLQINVEZDYJO-LDYMZIIASA-N	-1	0	264.285	0.370	20	30		CCEDRM
CC[C@H](C)N(CC(=O)[O-])C(=O)[C@H](C)n1cnc(C#N)n1	ZINC001594967794	982730128	/nfs/dbraw/zinc/73/01/28/982730128.db2.gz	BPQIOHFMRBPTEC-IUCAKERBSA-N	-1	0	279.300	0.422	20	30		CCEDRM
CCCN(CC(=O)[O-])C(=O)[C@@H](C)n1cnc(C#N)n1	ZINC001595846477	982774307	/nfs/dbraw/zinc/77/43/07/982774307.db2.gz	FTCXUICNKBGQKP-MRVPVSSYSA-N	-1	0	265.273	0.034	20	30		CCEDRM
C#CCC[C@H](O)CNC(=O)N[C@@H]1CCC[C@H]1CC(=O)[O-]	ZINC001573303724	983040146	/nfs/dbraw/zinc/04/01/46/983040146.db2.gz	QYIGYWOCPHXFRC-SDDRHHMPSA-N	-1	0	282.340	0.703	20	30		CCEDRM
N#Cc1cc(C(=O)N[C@H](C[C@@H]2CCCO2)C(=O)[O-])co1	ZINC001574241300	983200342	/nfs/dbraw/zinc/20/03/42/983200342.db2.gz	KJIVNCRFTJRXLX-GXSJLCMTSA-N	-1	0	278.264	0.903	20	30		CCEDRM
CCC[C@@H](NC(=O)[C@H](O)c1ccc(C#N)cc1)C(=O)[O-]	ZINC001595992888	983248157	/nfs/dbraw/zinc/24/81/57/983248157.db2.gz	LTBSGWKXVYFQAQ-VXGBXAGGSA-N	-1	0	276.292	0.961	20	30		CCEDRM
C#C[C@@H](NC(=O)NC[C@H]1C[C@H]1C(=O)[O-])[C@H]1CCCO1	ZINC001588371963	983326454	/nfs/dbraw/zinc/32/64/54/983326454.db2.gz	ASMRUXOQXKHHSY-GWOFURMSSA-N	-1	0	266.297	0.187	20	30		CCEDRM
C#C[C@H](NC(=O)N[C@H]1C[C@H](C(=O)[O-])C1)C1CCOCC1	ZINC001588374349	983343310	/nfs/dbraw/zinc/34/33/10/983343310.db2.gz	VGDCVPQFDRXQGK-SRVKXCTJSA-N	-1	0	280.324	0.577	20	30		CCEDRM
C#C[C@H](N[C@@H](C(=O)[O-])C1(OC)CCC1)[C@H]1CCCO1	ZINC001588377271	983356441	/nfs/dbraw/zinc/35/64/41/983356441.db2.gz	KHRHKGSGBGHCGM-TUAOUCFPSA-N	-1	0	267.325	0.779	20	30		CCEDRM
C#CC1(O)CCN(C(=O)/C=C\c2cc(C(=O)[O-])co2)CC1	ZINC001588379318	983363591	/nfs/dbraw/zinc/36/35/91/983363591.db2.gz	DDHVHGVEAJIEKH-ARJAWSKDSA-N	-1	0	289.287	0.978	20	30		CCEDRM
C#CC1(O)CN(c2ccc(/C=C/C(=O)[O-])cc2[N+](=O)[O-])C1	ZINC001588382211	983369362	/nfs/dbraw/zinc/36/93/62/983369362.db2.gz	JVVVFVGQGNLTFY-GQCTYLIASA-N	-1	0	288.259	0.877	20	30		CCEDRM
C#C[C@@H]1CCCN(C(=O)Cn2cccc(C(=O)[O-])c2=O)C1	ZINC001588382780	983374328	/nfs/dbraw/zinc/37/43/28/983374328.db2.gz	IQQSKRHYJPDPQK-LLVKDONJSA-N	-1	0	288.303	0.418	20	30		CCEDRM
C#C[C@H]1CCCN(C(=O)C(=O)N2C[C@@H](C)[C@H](C(=O)[O-])C2)C1	ZINC001588382824	983374986	/nfs/dbraw/zinc/37/49/86/983374986.db2.gz	UIMIJYKYQJVATO-GRYCIOLGSA-N	-1	0	292.335	0.037	20	30		CCEDRM
C#C[C@@H]1CCCN(C(=O)CN2CCC[C@@H](C(=O)[O-])C2=O)C1	ZINC001588383035	983376956	/nfs/dbraw/zinc/37/69/56/983376956.db2.gz	MRRPQQWCNXNLCO-VXGBXAGGSA-N	-1	0	292.335	0.181	20	30		CCEDRM
C#C[C@H]1COCCN1C(=O)NCC(C)(C)CC(=O)[O-]	ZINC001588383846	983384430	/nfs/dbraw/zinc/38/44/30/983384430.db2.gz	MNTJIDXPMCARPB-JTQLQIEISA-N	-1	0	268.313	0.531	20	30		CCEDRM
C#CC[C@@H](NC(=O)[C@H](C(=O)OCC)C(C)C)C(=O)[O-]	ZINC001588394475	983402762	/nfs/dbraw/zinc/40/27/62/983402762.db2.gz	LKSWIWVBTOGEQF-NXEZZACHSA-N	-1	0	269.297	0.414	20	30		CCEDRM
C#CC[C@H](CCOC)NC(=O)N1CC[C@@](C)(C(=O)[O-])C1	ZINC001588394654	983403220	/nfs/dbraw/zinc/40/32/20/983403220.db2.gz	ORLPXKZMMJWHEB-BXUZGUMPSA-N	-1	0	282.340	0.921	20	30		CCEDRM
C#CC[C@@H](NC(=O)[C@@](C)(O)c1ccc(F)cc1)C(=O)[O-]	ZINC001588399855	983417025	/nfs/dbraw/zinc/41/70/25/983417025.db2.gz	XSYBVLFDHHONSR-RISCZKNCSA-N	-1	0	279.267	0.626	20	30		CCEDRM
C#CC[C@H](NC(=O)Cc1ccc(O)c(O)c1)C(=O)[O-]	ZINC001588407910	983429538	/nfs/dbraw/zinc/42/95/38/983429538.db2.gz	QSHKNAXKWRQXNZ-VIFPVBQESA-N	-1	0	263.249	0.233	20	30		CCEDRM
C#CC[C@@H](NC(=O)c1c(C)coc1CC(=O)OC)C(=O)[O-]	ZINC001588413952	983432413	/nfs/dbraw/zinc/43/24/13/983432413.db2.gz	LBTBPVRPNZRILY-SECBINFHSA-N	-1	0	293.275	0.510	20	30		CCEDRM
C#CC[C@H](NC(=O)c1cc(S(C)(=O)=O)oc1C)C(=O)[O-]	ZINC001588414311	983433629	/nfs/dbraw/zinc/43/36/29/983433629.db2.gz	RBHPTBUGVLLUEF-VIFPVBQESA-N	-1	0	299.304	0.198	20	30		CCEDRM
C#CC[C@H](NC(=O)c1cncc(C(C)=O)c1)C(=O)[O-]	ZINC001588415694	983435580	/nfs/dbraw/zinc/43/55/80/983435580.db2.gz	FPXODIIVPQJHLU-NSHDSACASA-N	-1	0	260.249	0.491	20	30		CCEDRM
C#CC[C@@H](NC(=O)c1ccnc(-c2ncc[nH]2)c1)C(=O)[O-]	ZINC001588417061	983438171	/nfs/dbraw/zinc/43/81/71/983438171.db2.gz	WMPVLBMZRQMNPD-SNVBAGLBSA-N	-1	0	284.275	0.678	20	30		CCEDRM
C#CC[C@@H](NC(=O)c1ncoc1[C@H]1CCCO1)C(=O)[O-]	ZINC001588421215	983439938	/nfs/dbraw/zinc/43/99/38/983439938.db2.gz	DJRMDLNRMBTMTF-RKDXNWHRSA-N	-1	0	278.264	0.732	20	30		CCEDRM
C#CC[C@@H](NC(=O)c1csc(-c2ncc[nH]2)n1)C(=O)[O-]	ZINC001588421872	983443099	/nfs/dbraw/zinc/44/30/99/983443099.db2.gz	PGTVJFALEDTKKK-SSDOTTSWSA-N	-1	0	290.304	0.740	20	30		CCEDRM
C#CCC1(NS(=O)(=O)c2n[nH]c(C)c2C(=O)[O-])CCC1	ZINC001588427736	983457621	/nfs/dbraw/zinc/45/76/21/983457621.db2.gz	KGLUSBREJDELCS-UHFFFAOYSA-N	-1	0	297.336	0.641	20	30		CCEDRM
C#CCC1(O)CCN(c2ncncc2C(=O)[O-])CC1	ZINC001588432005	983466864	/nfs/dbraw/zinc/46/68/64/983466864.db2.gz	URXCSCJPVLKUOI-UHFFFAOYSA-N	-1	0	261.281	0.529	20	30		CCEDRM
C#CCCN1CCN(c2nccnc2C(=O)[O-])CC1	ZINC001588453852	983477813	/nfs/dbraw/zinc/47/78/13/983477813.db2.gz	YSHPPGUVXZOJQK-UHFFFAOYSA-N	-1	0	260.297	0.320	20	30		CCEDRM
C#CCCS(=O)(=O)N[C@H](Cc1ccncc1)C(=O)[O-]	ZINC001588458196	983482977	/nfs/dbraw/zinc/48/29/77/983482977.db2.gz	KRZUMRJDNCLNEZ-LLVKDONJSA-N	-1	0	282.321	0.020	20	30		CCEDRM
C#CCN(C)S(=O)(=O)c1cc(F)cc(C(=O)[O-])c1F	ZINC001588464102	983493398	/nfs/dbraw/zinc/49/33/98/983493398.db2.gz	VMJGPTPNJMVHNE-UHFFFAOYSA-N	-1	0	289.259	0.917	20	30		CCEDRM
C#CCNC(=O)CNc1cccc(CCC(=O)[O-])c1	ZINC001588483572	983521499	/nfs/dbraw/zinc/52/14/99/983521499.db2.gz	BHMKBRCAHJDQIH-UHFFFAOYSA-N	-1	0	260.293	0.865	20	30		CCEDRM
C#CCNC(=O)CN(C)[C@H](C(=O)[O-])c1cccc(OC)c1	ZINC001588483777	983521968	/nfs/dbraw/zinc/52/19/68/983521968.db2.gz	IRFGVGYMOYBBHS-AWEZNQCLSA-N	-1	0	290.319	0.502	20	30		CCEDRM
C#CCOCCC(=O)N[C@H]1C[C@H]2C[C@H](C(=O)[O-])C[C@H]21	ZINC001588489729	983529188	/nfs/dbraw/zinc/52/91/88/983529188.db2.gz	KNCQEFNYICQLKS-KXNHARMFSA-N	-1	0	265.309	0.642	20	30		CCEDRM
C#CCO[C@H](C)C(=O)OCc1oncc1C(=O)[O-]	ZINC001588490341	983532130	/nfs/dbraw/zinc/53/21/30/983532130.db2.gz	LFGWNPHCGLGVBZ-SSDOTTSWSA-N	-1	0	253.210	0.454	20	30		CCEDRM
C#CCO[C@H](C)C(=O)O[C@@H](CCSC)C(=O)[O-]	ZINC001588490483	983532567	/nfs/dbraw/zinc/53/25/67/983532567.db2.gz	NZUJCHVTCNUXOH-BDAKNGLRSA-N	-1	0	260.311	0.774	20	30		CCEDRM
C#CCO[C@H](C)C(=O)N[C@H]1CCCC[C@H]1C(=O)[O-]	ZINC001588490653	983533336	/nfs/dbraw/zinc/53/33/36/983533336.db2.gz	SYOHTIUKGDDYMC-MXWKQRLJSA-N	-1	0	253.298	0.784	20	30		CCEDRM
C#CCO[C@@H](C)C(=O)N1CC[C@@]2(C(=O)[O-])CCC[C@@H]12	ZINC001588490722	983533650	/nfs/dbraw/zinc/53/36/50/983533650.db2.gz	WROZVUUNWUYSTH-WDMOLILDSA-N	-1	0	265.309	0.881	20	30		CCEDRM
C#CCOCCNC(=O)N1C[C@H](C)[C@@](C)(C(=O)[O-])C1	ZINC001588491468	983536291	/nfs/dbraw/zinc/53/62/91/983536291.db2.gz	NPPAEODPZYRYRD-GWCFXTLKSA-N	-1	0	268.313	0.388	20	30		CCEDRM
CCN(C(C)(C)C(=O)[O-])S(=O)(=O)N(C)CCC#N	ZINC001596175070	983542369	/nfs/dbraw/zinc/54/23/69/983542369.db2.gz	ROOFCUYNVKGALD-UHFFFAOYSA-N	-1	0	277.346	0.262	20	30		CCEDRM
C#CCSCCn1nnnc1N1CCC(C(=O)[O-])CC1	ZINC001588509921	983554301	/nfs/dbraw/zinc/55/43/01/983554301.db2.gz	URWVJEDSNSHAPF-UHFFFAOYSA-N	-1	0	295.368	0.341	20	30		CCEDRM
C#Cc1ccc(C(=O)N2CC(=O)N(C)C[C@@H]2C(=O)[O-])cc1	ZINC001588510847	983557285	/nfs/dbraw/zinc/55/72/85/983557285.db2.gz	MCQVUHJKPLRHLA-GFCCVEGCSA-N	-1	0	286.287	0.035	20	30		CCEDRM
C#Cc1ccc(C(=O)N[C@H]2C[C@@H](C(=O)[O-])[C@@H]3C[C@@H]32)nc1	ZINC001588516725	983561940	/nfs/dbraw/zinc/56/19/40/983561940.db2.gz	YRDNWSYPSUANRC-XZUYRWCXSA-N	-1	0	270.288	0.902	20	30		CCEDRM
C#Cc1ccc(S(=O)(=O)N[C@@H](COC)C(=O)[O-])cc1	ZINC001588517850	983566448	/nfs/dbraw/zinc/56/64/48/983566448.db2.gz	HVTKXIXSNNGXFF-NSHDSACASA-N	-1	0	283.305	0.046	20	30		CCEDRM
C#Cc1ccc(S(=O)(=O)N[C@H](C)CC(=O)[O-])cc1	ZINC001588518198	983568641	/nfs/dbraw/zinc/56/86/41/983568641.db2.gz	VFOZGTSGCGTJHD-SECBINFHSA-N	-1	0	267.306	0.809	20	30		CCEDRM
CCN(CC(=O)N1CCC(C(=O)[O-])CC1)[C@@H](C)C#N	ZINC001596201763	983587040	/nfs/dbraw/zinc/58/70/40/983587040.db2.gz	JMEFDXRXHVQADM-JTQLQIEISA-N	-1	0	267.329	0.544	20	30		CCEDRM
C=C(C)C[C@@H](NC(=O)[C@H](O)c1ccccn1)C(=O)[O-]	ZINC001588537788	983602155	/nfs/dbraw/zinc/60/21/55/983602155.db2.gz	YFHAKLQDNXZZHZ-GHMZBOCLSA-N	-1	0	264.281	0.651	20	30		CCEDRM
C=C(C)C[C@@H](NC(=O)[C@@H]1CCc2nnnn2CC1)C(=O)[O-]	ZINC001588540979	983605868	/nfs/dbraw/zinc/60/58/68/983605868.db2.gz	PVKJVDBBTFDFHL-NXEZZACHSA-N	-1	0	293.327	0.161	20	30		CCEDRM
C=C(C)C[C@H](NC(=O)[C@@H]1CCCN(C(N)=O)C1)C(=O)[O-]	ZINC001588541185	983606682	/nfs/dbraw/zinc/60/66/82/983606682.db2.gz	UZHFQMFKRNJKKA-ZJUUUORDSA-N	-1	0	283.328	0.313	20	30		CCEDRM
C=C(C)C[C@H](NC(=O)c1c[nH]c(C(=O)[O-])c1)C(=O)OC	ZINC001588543312	983611245	/nfs/dbraw/zinc/61/12/45/983611245.db2.gz	FVIDOTNXLUPVKD-JTQLQIEISA-N	-1	0	280.280	0.951	20	30		CCEDRM
C=C(C)C[C@@H](NC(=O)Cn1nnnc1C(C)C)C(=O)[O-]	ZINC001588543764	983612447	/nfs/dbraw/zinc/61/24/47/983612447.db2.gz	NKUBWUBKJIJCDW-SECBINFHSA-N	-1	0	281.316	0.332	20	30		CCEDRM
C=C(C)C[C@@H](NC(=O)c1ccc(C(N)=O)cn1)C(=O)[O-]	ZINC001588546222	983614297	/nfs/dbraw/zinc/61/42/97/983614297.db2.gz	AXXDSDVEFYARLK-SNVBAGLBSA-N	-1	0	277.280	0.330	20	30		CCEDRM
C=C(C)C[C@@H](NC(=O)c1c[nH]c(=O)c([N+](=O)[O-])c1)C(=O)[O-]	ZINC001588547485	983620303	/nfs/dbraw/zinc/62/03/03/983620303.db2.gz	CXWKBNYLBBEEDD-MRVPVSSYSA-N	-1	0	295.251	0.845	20	30		CCEDRM
C=C(C)C[C@H](NC(=O)c1cncc(OC)n1)C(=O)[O-]	ZINC001588548761	983625172	/nfs/dbraw/zinc/62/51/72/983625172.db2.gz	TTZZZTXGTGKSET-QMMMGPOBSA-N	-1	0	265.269	0.634	20	30		CCEDRM
C=C(C)C[C@@H](Nc1nc2c(cnn2C)c(=O)[nH]1)C(=O)[O-]	ZINC001588554239	983629723	/nfs/dbraw/zinc/62/97/23/983629723.db2.gz	BPSNBDNMCVEDPN-MRVPVSSYSA-N	-1	0	277.284	0.900	20	30		CCEDRM
C=C(C)CCn1cnc2c(cnn2CC(=O)[O-])c1=O	ZINC001588561483	983641406	/nfs/dbraw/zinc/64/14/06/983641406.db2.gz	FHIDYVLWAQCDCI-UHFFFAOYSA-N	-1	0	262.269	0.644	20	30		CCEDRM
C=C(C)COCCNC(=O)C(=O)N1CC[C@@H](C(=O)[O-])[C@@H]1C	ZINC001588569597	983649444	/nfs/dbraw/zinc/64/94/44/983649444.db2.gz	GGLPQIWYQDNEES-WDEREUQCSA-N	-1	0	298.339	0.017	20	30		CCEDRM
C=C(C)CNC(=S)N1C[C@H](O)C[C@@H](C(=O)[O-])C1	ZINC001588585650	983664013	/nfs/dbraw/zinc/66/40/13/983664013.db2.gz	RWZWGMMVXFDREC-RKDXNWHRSA-N	-1	0	258.343	0.204	20	30		CCEDRM
C=C(C)[C@H]1OCC[C@H]1C(=O)NCCn1cc(C(=O)[O-])nn1	ZINC001588599486	983690228	/nfs/dbraw/zinc/69/02/28/983690228.db2.gz	SNUUVMCMZRUBKY-MWLCHTKSSA-N	-1	0	294.311	0.074	20	30		CCEDRM
C=C(CCC(=O)[O-])C(=O)N(C)[C@H](C)C[S@](C)=O	ZINC001588607057	983699887	/nfs/dbraw/zinc/69/98/87/983699887.db2.gz	QNKZHCFWDXPYFQ-XLFHBGCDSA-N	-1	0	261.343	0.633	20	30		CCEDRM
C=C(CCC(=O)[O-])C(=O)N1C[C@@H](C)[C@](C)(CO)C1	ZINC001588612203	983702230	/nfs/dbraw/zinc/70/22/30/983702230.db2.gz	KWGIVLKKSCYULE-MFKMUULPSA-N	-1	0	255.314	0.884	20	30		CCEDRM
CCN(CCC#N)S(=O)(=O)N1CC[C@@H](C(=O)[O-])[C@H]1C	ZINC001596299632	983725418	/nfs/dbraw/zinc/72/54/18/983725418.db2.gz	RQFHLEQKGQDWLP-NXEZZACHSA-N	-1	0	289.357	0.262	20	30		CCEDRM
C=C(CCC(=O)[O-])C(=O)NC[C@H]1CC[C@H](C(=O)N(C)C)O1	ZINC001588624507	983732597	/nfs/dbraw/zinc/73/25/97/983732597.db2.gz	LDQLQYDCGQUPDY-GHMZBOCLSA-N	-1	0	298.339	0.159	20	30		CCEDRM
C=C(CCC(=O)[O-])C(=O)NCCN1C[C@@H](C)OC[C@H]1C	ZINC001588624619	983733926	/nfs/dbraw/zinc/73/39/26/983733926.db2.gz	QAPWOJFWSRBZKZ-VXGBXAGGSA-N	-1	0	284.356	0.633	20	30		CCEDRM
C=C(CCC(=O)[O-])C(=O)NCCC(=O)Nc1cccnc1	ZINC001588624839	983735482	/nfs/dbraw/zinc/73/54/82/983735482.db2.gz	YGUDDPRAYFFYNZ-UHFFFAOYSA-N	-1	0	291.307	0.947	20	30		CCEDRM
C=C(CCC(=O)OC)C(=O)N1CCC[C@@]1(COC)C(=O)[O-]	ZINC001588633035	983746985	/nfs/dbraw/zinc/74/69/85/983746985.db2.gz	GQAZRXLHRBKNER-CQSZACIVSA-N	-1	0	299.323	0.588	20	30		CCEDRM
C=C1CC(C)(C(=O)N2C[C@H](O)C[C@H](C(=O)[O-])C2)C1	ZINC001588643289	983765491	/nfs/dbraw/zinc/76/54/91/983765491.db2.gz	CDRTVXRCEJRSOM-VHSXEESVSA-N	-1	0	253.298	0.637	20	30		CCEDRM
C=C[C@H](C(=O)[O-])N1C[C@@H](O)[C@H](Oc2ccccc2)C1	ZINC001588669115	983809945	/nfs/dbraw/zinc/80/99/45/983809945.db2.gz	GIKQHPDJUPSCOJ-JHJVBQTASA-N	-1	0	263.293	0.750	20	30		CCEDRM
C=CC(C)(C)C(=O)N1CCN(C(=O)[C@@H]2C[C@@H]2C(=O)[O-])CC1	ZINC001588671992	983823637	/nfs/dbraw/zinc/82/36/37/983823637.db2.gz	MNAMFUVIPNHDBL-MNOVXSKESA-N	-1	0	294.351	0.590	20	30		CCEDRM
C=C[C@](C)(O)CC(=O)N[C@H](CC(F)F)C(=O)[O-]	ZINC001588683850	983852247	/nfs/dbraw/zinc/85/22/47/983852247.db2.gz	FWXUXXXUFYLZKF-LDWIPMOCSA-N	-1	0	251.229	0.538	20	30		CCEDRM
C=C[C@](C)(O)CC(=O)N(C)[C@@H](COC(C)C)C(=O)[O-]	ZINC001588684271	983857491	/nfs/dbraw/zinc/85/74/91/983857491.db2.gz	ODXSOWBJQMRNCO-GWCFXTLKSA-N	-1	0	273.329	0.650	20	30		CCEDRM
C=C[C@](C)(O)c1cn(Cc2ccc(C(=O)[O-])cn2)nn1	ZINC001588684840	983865177	/nfs/dbraw/zinc/86/51/77/983865177.db2.gz	ZGEKKGYVFOHYOL-ZDUSSCGKSA-N	-1	0	274.280	0.813	20	30		CCEDRM
C=C[C@H](C)NC(=O)N1CCC[C@H](n2cc(C(=O)[O-])nn2)C1	ZINC001588687613	983871495	/nfs/dbraw/zinc/87/14/95/983871495.db2.gz	QKBHAGKAYUQLHR-UWVGGRQHSA-N	-1	0	293.327	0.897	20	30		CCEDRM
C=C[C@@H](CC)CC(=O)N1CCS(=O)(=O)C[C@H]1C(=O)[O-]	ZINC001588691380	983880725	/nfs/dbraw/zinc/88/07/25/983880725.db2.gz	ZJRUYZATLGYOHG-UWVGGRQHSA-N	-1	0	289.353	0.299	20	30		CCEDRM
C=C[C@@H](COC)NC(=O)N[C@H]1CC[C@@H](C(=O)[O-])C1	ZINC001588692562	983883201	/nfs/dbraw/zinc/88/32/01/983883201.db2.gz	DTNHWCQBBOMIIW-UTLUCORTSA-N	-1	0	256.302	0.740	20	30		CCEDRM
C=C[C@@H](N[C@@H](Cc1ccccc1)C(=O)[O-])C(=O)OC	ZINC001588696495	983903123	/nfs/dbraw/zinc/90/31/23/983903123.db2.gz	OFJDILVMMVTXDB-NEPJUHHUSA-N	-1	0	263.293	1.000	20	30		CCEDRM
C=C[C@H](OC(=O)[C@@H](CC(=C)C)NC(C)=O)C(=O)[O-]	ZINC001588704553	983924068	/nfs/dbraw/zinc/92/40/68/983924068.db2.gz	GDHQLFGXCHMBEY-ZJUUUORDSA-N	-1	0	255.270	0.640	20	30		CCEDRM
C=C[C@@H](O)C(=O)NCc1ccc(OC)c(C(=O)[O-])c1	ZINC001588704563	983924551	/nfs/dbraw/zinc/92/45/51/983924551.db2.gz	GLTQOSLSICOENP-SNVBAGLBSA-N	-1	0	265.265	0.557	20	30		CCEDRM
C=C[C@@H](O)C(=O)NCc1ccc(C(=O)[O-])c(OC)c1	ZINC001588705373	983926884	/nfs/dbraw/zinc/92/68/84/983926884.db2.gz	MCRCXCJGBILIJP-SNVBAGLBSA-N	-1	0	265.265	0.557	20	30		CCEDRM
C=C[C@@H](O)C(=O)Nc1cc(OC)c(OC)cc1C(=O)[O-]	ZINC001588705793	983927973	/nfs/dbraw/zinc/92/79/73/983927973.db2.gz	PEHJMRHYCOPSEE-SECBINFHSA-N	-1	0	281.264	0.887	20	30		CCEDRM
C=C[C@H](O)C(=O)OCC(=O)Nc1ccccc1C(=O)[O-]	ZINC001588705885	983928874	/nfs/dbraw/zinc/92/88/74/983928874.db2.gz	RJDDXXWJBWKCIR-JTQLQIEISA-N	-1	0	279.248	0.413	20	30		CCEDRM
C=C[C@@H](OC(=O)CCc1cc(OC)no1)C(=O)[O-]	ZINC001588710634	983933269	/nfs/dbraw/zinc/93/32/69/983933269.db2.gz	GJIIHZCLWSHWIA-MRVPVSSYSA-N	-1	0	255.226	0.798	20	30		CCEDRM
C=C[C@H](OC(=O)/C=C\COC1CCOCC1)C(=O)[O-]	ZINC001588710720	983934448	/nfs/dbraw/zinc/93/44/48/983934448.db2.gz	IBUMJNOLLJCVJD-BYCRGOAPSA-N	-1	0	270.281	0.921	20	30		CCEDRM
C=C[C@@H](OC(=O)CCCN1C(=O)CCC1=O)C(=O)[O-]	ZINC001588711014	983935559	/nfs/dbraw/zinc/93/55/59/983935559.db2.gz	KYSADECEDDAFRM-MRVPVSSYSA-N	-1	0	269.253	0.098	20	30		CCEDRM
C=C[C@@H](OC(=O)CN1C(=O)[C@@H]2CC=CC[C@@H]2C1=O)C(=O)[O-]	ZINC001588711385	983937326	/nfs/dbraw/zinc/93/73/26/983937326.db2.gz	OITOOQWZOGLYOX-KXUCPTDWSA-N	-1	0	293.275	0.120	20	30		CCEDRM
C=C[C@H](OC(=O)[C@H]1CC[C@@H](CCC(=O)[O-])O1)C(=O)OC	ZINC001588711457	983937990	/nfs/dbraw/zinc/93/79/90/983937990.db2.gz	AGCSSLJGLVJBCD-LPEHRKFASA-N	-1	0	286.280	0.670	20	30		CCEDRM
C=C[C@H](OC(=O)c1ccn(CC(F)F)n1)C(=O)[O-]	ZINC001588711747	983939371	/nfs/dbraw/zinc/93/93/71/983939371.db2.gz	CSARMUDMSZZCTE-ZETCQYMHSA-N	-1	0	260.196	0.944	20	30		CCEDRM
C=C[C@@H](OC(=O)[C@H](CC(C)C)NC(C)=O)C(=O)[O-]	ZINC001588712485	983944263	/nfs/dbraw/zinc/94/42/63/983944263.db2.gz	MATSSWVFAHOZNU-VHSXEESVSA-N	-1	0	257.286	0.720	20	30		CCEDRM
C=C[C@H](Sc1nnc(-n2nc(C)cc2C)n1N)C(=O)[O-]	ZINC001588714422	983951661	/nfs/dbraw/zinc/95/16/61/983951661.db2.gz	GRMLTBXUVILFNW-QMMMGPOBSA-N	-1	0	294.340	0.526	20	30		CCEDRM
C=CC1CCN(C(=O)C(=O)N[C@H]2CC=C(C(=O)[O-])C2)CC1	ZINC001588719963	983963839	/nfs/dbraw/zinc/96/38/39/983963839.db2.gz	IHLGNCLSSXYXOD-LBPRGKRZSA-N	-1	0	292.335	0.701	20	30		CCEDRM
C=CC[C@@H](C(=O)[O-])N1CCO[C@@H](CC(=O)OC)C1	ZINC001588731273	984006821	/nfs/dbraw/zinc/00/68/21/984006821.db2.gz	HDGUQZVESPACKA-UWVGGRQHSA-N	-1	0	257.286	0.280	20	30		CCEDRM
C=CC[C@H](CC)NC(=O)C(=O)N1CC[C@H](C(=O)[O-])[C@@H]1C	ZINC001588735455	984017854	/nfs/dbraw/zinc/01/78/54/984017854.db2.gz	AERVKLVPIYPQMG-DCAQKATOSA-N	-1	0	282.340	0.779	20	30		CCEDRM
C=CC[C@H](CO)NC(=O)CC[C@@H]1C[C@H](C(=O)[O-])CO1	ZINC001588743925	984040144	/nfs/dbraw/zinc/04/01/44/984040144.db2.gz	FMSJXEQLTSLEEV-HBNTYKKESA-N	-1	0	271.313	0.310	20	30		CCEDRM
C=CC[C@@H](CO)NS(=O)(=O)Cc1ccccc1C(=O)[O-]	ZINC001588743962	984040923	/nfs/dbraw/zinc/04/09/23/984040923.db2.gz	GATHPCXMTZDHEH-NSHDSACASA-N	-1	0	299.348	0.741	20	30		CCEDRM
C=CC[C@@H](OC(=O)C(=O)c1cnn(C)c1)C(=O)[O-]	ZINC001588750966	984074630	/nfs/dbraw/zinc/07/46/30/984074630.db2.gz	IOXWBMLUFSHFDT-MRVPVSSYSA-N	-1	0	252.226	0.175	20	30		CCEDRM
C=CC[C@@H](OC(=O)[C@@H](CC)N1CCCC1=O)C(=O)[O-]	ZINC001588752674	984082178	/nfs/dbraw/zinc/08/21/78/984082178.db2.gz	ZIKIWLDZUGMHHJ-NXEZZACHSA-N	-1	0	269.297	0.960	20	30		CCEDRM
C=CC[C@@H](OC(=O)CCc1cnn(C)c1)C(=O)[O-]	ZINC001588753338	984084934	/nfs/dbraw/zinc/08/49/34/984084934.db2.gz	FXSBIQGXMLUXKS-SNVBAGLBSA-N	-1	0	252.270	0.925	20	30		CCEDRM
C=CC[C@@H](OC(=O)Cn1cc(C2CC2)nn1)C(=O)[O-]	ZINC001588754086	984091964	/nfs/dbraw/zinc/09/19/64/984091964.db2.gz	SLTVGYKGWSJJRC-SNVBAGLBSA-N	-1	0	265.269	0.728	20	30		CCEDRM
C=CC[C@@H](OC(=O)[C@@H]1[C@H]2CC[C@]3(COC(=O)[C@H]13)O2)C(=O)[O-]	ZINC001588757440	984103312	/nfs/dbraw/zinc/10/33/12/984103312.db2.gz	ZVLYGOOGSHNCDN-ZDLIJIFBSA-N	-1	0	296.275	0.280	20	30		CCEDRM
C=CC[C@H](OC(=O)c1cn(C)ccc1=O)C(=O)[O-]	ZINC001588758031	984105008	/nfs/dbraw/zinc/10/50/08/984105008.db2.gz	DOGQZIKAHDSFNT-JTQLQIEISA-N	-1	0	251.238	0.571	20	30		CCEDRM
C=CCCC(=O)N(C)CCNC(=O)[C@H]1C[C@@H]1C(=O)[O-]	ZINC001588773636	984148413	/nfs/dbraw/zinc/14/84/13/984148413.db2.gz	CHAXYVKQLIZOEF-UWVGGRQHSA-N	-1	0	268.313	0.248	20	30		CCEDRM
CCN1CN([C@@H](C(=O)[O-])c2cccc(C#N)c2)CC1=O	ZINC001596449445	984148720	/nfs/dbraw/zinc/14/87/20/984148720.db2.gz	HFRQDYJJCNSUOB-CYBMUJFWSA-N	-1	0	273.292	0.806	20	30		CCEDRM
C=CCC[C@@H](CO)NC(=O)NCc1ncc(C(=O)[O-])s1	ZINC001588778113	984159355	/nfs/dbraw/zinc/15/93/55/984159355.db2.gz	SVCJXNLRPVZCKZ-QMMMGPOBSA-N	-1	0	299.352	0.968	20	30		CCEDRM
C=CCCC[C@H](NC(=O)CCc1nnc[nH]1)C(=O)[O-]	ZINC001588788896	984194631	/nfs/dbraw/zinc/19/46/31/984194631.db2.gz	QMJWZQAZXIJYAP-VIFPVBQESA-N	-1	0	266.301	0.663	20	30		CCEDRM
C=CCCC[C@H](NC(=O)CC1CS(=O)(=O)C1)C(=O)[O-]	ZINC001588790370	984205890	/nfs/dbraw/zinc/20/58/90/984205890.db2.gz	VXWQEDXRGOOZDG-JTQLQIEISA-N	-1	0	289.353	0.347	20	30		CCEDRM
C=CCCC[C@H](NC(=O)[C@@H]1CC[C@H](C(=O)OC)O1)C(=O)[O-]	ZINC001588794575	984228206	/nfs/dbraw/zinc/22/82/06/984228206.db2.gz	YTRIVPFTWZLOGS-GARJFASQSA-N	-1	0	299.323	0.633	20	30		CCEDRM
C=CCCC[C@@H](NS(=O)(=O)N=S(C)(C)=O)C(=O)[O-]	ZINC001588798226	984234304	/nfs/dbraw/zinc/23/43/04/984234304.db2.gz	YKNKPZHFIKJQAK-MRVPVSSYSA-N	-1	0	298.386	0.358	20	30		CCEDRM
C=CCCO[C@H](C)C(=O)N[C@H]1CCO[C@H]1C(=O)[O-]	ZINC001588808527	984262381	/nfs/dbraw/zinc/26/23/81/984262381.db2.gz	GHUDVDIPQNWGRM-KXUCPTDWSA-N	-1	0	257.286	0.326	20	30		CCEDRM
C=CCCO[C@@H](C)C(=O)N[C@@H](C(=O)[O-])c1ccn(C)n1	ZINC001588808518	984262552	/nfs/dbraw/zinc/26/25/52/984262552.db2.gz	FFUMICKPJRFUAN-GXSJLCMTSA-N	-1	0	281.312	0.643	20	30		CCEDRM
C=CCCO[C@H](C)C(=O)N[C@@H](Cn1ccnc1)C(=O)[O-]	ZINC001588808900	984263595	/nfs/dbraw/zinc/26/35/95/984263595.db2.gz	PLHZHJGHRHCUHO-MNOVXSKESA-N	-1	0	281.312	0.434	20	30		CCEDRM
C=CCCOCC(=O)O[C@@H]1C[C@@H](C(=O)[O-])N(C)C1	ZINC001588810311	984266245	/nfs/dbraw/zinc/26/62/45/984266245.db2.gz	IIMQZRRKSJABFF-ZJUUUORDSA-N	-1	0	257.286	0.280	20	30		CCEDRM
C=CCCONC(=O)CC[C@@H]1C[C@H](C(=O)[O-])CO1	ZINC001588813617	984270218	/nfs/dbraw/zinc/27/02/18/984270218.db2.gz	XGIZRFPACSDXSM-VHSXEESVSA-N	-1	0	257.286	0.880	20	30		CCEDRM
C=CCCn1cc(C(=O)O[C@H](C=C)C(=O)[O-])nn1	ZINC001588817326	984276144	/nfs/dbraw/zinc/27/61/44/984276144.db2.gz	HRARUKBLWREPMH-SECBINFHSA-N	-1	0	251.242	0.650	20	30		CCEDRM
C=CCN(CC=C)C(=O)[C@@H](C)OC(=O)[C@H]1C[C@H]1C(=O)[O-]	ZINC001588825604	984301433	/nfs/dbraw/zinc/30/14/33/984301433.db2.gz	UVUJZYIKNWEEHL-MXWKQRLJSA-N	-1	0	281.308	0.839	20	30		CCEDRM
C=CCN(CCC#N)[C@@H]1CCN(CCC(=O)[O-])C1=O	ZINC001588826713	984305534	/nfs/dbraw/zinc/30/55/34/984305534.db2.gz	SADWQABUUOLIQF-LLVKDONJSA-N	-1	0	265.313	0.464	20	30		CCEDRM
C=CCN1C(=O)C(=O)N(C[C@@H]2CCCC[C@H]2C(=O)[O-])C1=O	ZINC001588832611	984324253	/nfs/dbraw/zinc/32/42/53/984324253.db2.gz	SQLRNSYGNWCIGK-VHSXEESVSA-N	-1	0	294.307	0.854	20	30		CCEDRM
C=CCN1CC[C@@H](N2CCCC[C@@]2(COC)C(=O)[O-])C1=O	ZINC001588838934	984343003	/nfs/dbraw/zinc/34/30/03/984343003.db2.gz	MLDPUMIMXLRQRV-IUODEOHRSA-N	-1	0	296.367	0.729	20	30		CCEDRM
C=CCN1CC[C@@H](N2CC[C@]3(CC(C(=O)[O-])=NO3)C2)C1=O	ZINC001588839034	984343751	/nfs/dbraw/zinc/34/37/51/984343751.db2.gz	NGONJKXPVNUJKK-RISCZKNCSA-N	-1	0	293.323	0.079	20	30		CCEDRM
C=CCN1CC[C@H](N[C@H](C(=O)[O-])c2cccc(O)c2)C1=O	ZINC001588839062	984344520	/nfs/dbraw/zinc/34/45/20/984344520.db2.gz	NULUAIGGYVYYOV-STQMWFEESA-N	-1	0	290.319	0.894	20	30		CCEDRM
C=CCN1CC[C@H](N[C@](C)(Cn2cccn2)C(=O)[O-])C1=O	ZINC001588839458	984347147	/nfs/dbraw/zinc/34/71/47/984347147.db2.gz	RTAVZAMQNWQMSX-SMDDNHRTSA-N	-1	0	292.339	0.103	20	30		CCEDRM
C=CCNC(=O)NC(=O)CSc1nc(C(=O)[O-])c[nH]1	ZINC001588844183	984356617	/nfs/dbraw/zinc/35/66/17/984356617.db2.gz	SGHDLGJCFLZHPH-UHFFFAOYSA-N	-1	0	284.297	0.212	20	30		CCEDRM
C=CCNC(=S)N1CC[C@H](n2cc(C(=O)[O-])nn2)C1	ZINC001588845380	984362073	/nfs/dbraw/zinc/36/20/73/984362073.db2.gz	JRQWMJQOZRQFHN-QMMMGPOBSA-N	-1	0	281.341	0.284	20	30		CCEDRM
C=CCO[C@H]1CCN(C(=O)NC[C@H]2C[C@H]2C(=O)[O-])C1	ZINC001588849984	984378027	/nfs/dbraw/zinc/37/80/27/984378027.db2.gz	RSUOVOSKEKMKEP-OUAUKWLOSA-N	-1	0	268.313	0.694	20	30		CCEDRM
C=CCOCC(=O)NC[C@H](Cc1ccncc1)C(=O)[O-]	ZINC001588851204	984383495	/nfs/dbraw/zinc/38/34/95/984383495.db2.gz	YWEVIXMTAOSLSO-LBPRGKRZSA-N	-1	0	278.308	0.644	20	30		CCEDRM
C=CCOC[C@@H](NC(=O)CC1CSC1)C(=O)[O-]	ZINC001588854408	984390726	/nfs/dbraw/zinc/39/07/26/984390726.db2.gz	YURBWEVUCOQNIF-SECBINFHSA-N	-1	0	259.327	0.512	20	30		CCEDRM
C=CCOC[C@H](NC(=O)[C@H]1CCC[C@H](C(N)=O)C1)C(=O)[O-]	ZINC001588855410	984392674	/nfs/dbraw/zinc/39/26/74/984392674.db2.gz	FZPANGHMLLQTGE-DCAQKATOSA-N	-1	0	298.339	0.050	20	30		CCEDRM
C=CCOC[C@H](NC(=O)[C@H]1CC1(Cl)Cl)C(=O)[O-]	ZINC001588856269	984398250	/nfs/dbraw/zinc/39/82/50/984398250.db2.gz	XINHDQWDIAXWDT-RQJHMYQMSA-N	-1	0	282.123	0.952	20	30		CCEDRM
C=CCOC[C@H](NC(=O)c1c(C)nn(C)c1OC)C(=O)[O-]	ZINC001588856552	984400974	/nfs/dbraw/zinc/40/09/74/984400974.db2.gz	MEIKVQKSYFVZFM-VIFPVBQESA-N	-1	0	297.311	0.123	20	30		CCEDRM
C=CCOC[C@H](NC(=O)c1cc(C=O)c[nH]1)C(=O)[O-]	ZINC001588859313	984405015	/nfs/dbraw/zinc/40/50/15/984405015.db2.gz	HWGQILXKMMAERQ-JTQLQIEISA-N	-1	0	266.253	0.213	20	30		CCEDRM
C=CCOC[C@@H](NC(=O)c1ccnc(F)c1F)C(=O)[O-]	ZINC001588860019	984410119	/nfs/dbraw/zinc/41/01/19/984410119.db2.gz	GDAKHSRTVOMOLJ-MRVPVSSYSA-N	-1	0	286.234	0.745	20	30		CCEDRM
C=CCOCCCN1C(=O)[C@H]2CC[C@H](C(=O)[O-])CN2C1=O	ZINC001588866194	984423492	/nfs/dbraw/zinc/42/34/92/984423492.db2.gz	AXOJAZVRJWKTSQ-WDEREUQCSA-N	-1	0	296.323	0.707	20	30		CCEDRM
C=CCONC(=O)Nc1ccc(C(=O)NCC(=O)[O-])cc1	ZINC001588868547	984433670	/nfs/dbraw/zinc/43/36/70/984433670.db2.gz	KBCOVDKHQZINBU-UHFFFAOYSA-N	-1	0	293.279	0.740	20	30		CCEDRM
C=CCOCCN1C(=O)[C@H]2C[C@@H](C(=O)[O-])CCN2C1=O	ZINC001588868817	984435872	/nfs/dbraw/zinc/43/58/72/984435872.db2.gz	BQVHIQBXGPGVDV-VHSXEESVSA-N	-1	0	282.296	0.316	20	30		CCEDRM
C=CCn1c(-c2ncon2)nnc1N1CC[C@H](C(=O)[O-])C1	ZINC001588891132	984486565	/nfs/dbraw/zinc/48/65/65/984486565.db2.gz	FHAZXDOMMLSFAA-QMMMGPOBSA-N	-1	0	290.283	0.425	20	30		CCEDRM
C=CCn1c([C@H]2CC=NO2)nnc1N1CC[C@@H](C(=O)[O-])C1	ZINC001588896097	984499069	/nfs/dbraw/zinc/49/90/69/984499069.db2.gz	GFKCSNXSUMDZSB-NXEZZACHSA-N	-1	0	291.311	0.822	20	30		CCEDRM
C=CCn1cc(CNC(=O)NC2CC(C(=O)[O-])C2)nn1	ZINC001588909129	984542259	/nfs/dbraw/zinc/54/22/59/984542259.db2.gz	KXMOCOAQQJTVQS-UHFFFAOYSA-N	-1	0	279.300	0.127	20	30		CCEDRM
C=CCn1cc(CNC(=O)c2cc(C(=O)[O-])oc2C)nn1	ZINC001588909329	984543456	/nfs/dbraw/zinc/54/34/56/984543456.db2.gz	PMTCJIDNXCSFLJ-UHFFFAOYSA-N	-1	0	290.279	0.994	20	30		CCEDRM
C=CCn1cnn(CN2CCO[C@H](C(=O)[O-])C2)c1=S	ZINC001588909391	984544198	/nfs/dbraw/zinc/54/41/98/984544198.db2.gz	RZXLLNRAPQQXCI-VIFPVBQESA-N	-1	0	284.341	0.343	20	30		CCEDRM
C=CCn1cc(C(=O)NCc2nc(C(=O)[O-])co2)nn1	ZINC001588910468	984549795	/nfs/dbraw/zinc/54/97/95/984549795.db2.gz	ZFUXOAREMCQXBZ-UHFFFAOYSA-N	-1	0	277.240	0.080	20	30		CCEDRM
C=C[C@@H]1OCC[C@H]1C(=O)NCc1ccnc(C(=O)[O-])c1	ZINC001588916483	984560947	/nfs/dbraw/zinc/56/09/47/984560947.db2.gz	OSQFUYMZZKMILT-PWSUYJOCSA-N	-1	0	276.292	0.987	20	30		CCEDRM
C=C[C@@H]1OCC[C@H]1NC(=O)c1cccc(C(=O)[O-])n1	ZINC001588919803	984573935	/nfs/dbraw/zinc/57/39/35/984573935.db2.gz	MPDLTFVVTJOBSF-KCJUWKMLSA-N	-1	0	262.265	0.853	20	30		CCEDRM
CC#CC[C@H](CO)NC(=O)c1ccc(C(=O)[O-])o1	ZINC001588925921	984589999	/nfs/dbraw/zinc/58/99/99/984589999.db2.gz	AQKYECHUUJFEPG-MRVPVSSYSA-N	-1	0	251.238	0.482	20	30		CCEDRM
CC#CCCNC(=O)C(=O)N[C@H]1CC[C@@H](CC(=O)[O-])C1	ZINC001588927069	984596470	/nfs/dbraw/zinc/59/64/70/984596470.db2.gz	LDZJVTZKDGLIKI-MNOVXSKESA-N	-1	0	280.324	0.276	20	30		CCEDRM
CC#CCn1nnnc1N1CC[C@@]2(C(=O)[O-])CCC[C@@H]12	ZINC001588931859	984604133	/nfs/dbraw/zinc/60/41/33/984604133.db2.gz	DTRMMAKCRATTAL-MFKMUULPSA-N	-1	0	275.312	0.530	20	30		CCEDRM
CC#CCn1nnnc1N1C[C@H](C)[C@@](C)(C(=O)[O-])C1	ZINC001588931955	984604647	/nfs/dbraw/zinc/60/46/47/984604647.db2.gz	HHZJHHSXPMXAGL-CABZTGNLSA-N	-1	0	263.301	0.243	20	30		CCEDRM
CC#CCNCc1cn(C[C@@H]2CC(C(=O)[O-])=C(C)O2)nn1	ZINC001588932576	984609382	/nfs/dbraw/zinc/60/93/82/984609382.db2.gz	YVZWNHDMECTGBB-LBPRGKRZSA-N	-1	0	290.323	0.539	20	30		CCEDRM
C[C@H]1CN(C(=O)NCCCCC#N)C[C@@H](C(=O)[O-])O1	ZINC001599920875	985131912	/nfs/dbraw/zinc/13/19/12/985131912.db2.gz	VMRSTWMDELLRLU-UWVGGRQHSA-N	-1	0	269.301	0.564	20	30		CCEDRM
CCO[C@H](C(=O)N(CC#N)CCC(=O)[O-])[C@@H]1CCOC1	ZINC001596761354	985152908	/nfs/dbraw/zinc/15/29/08/985152908.db2.gz	RFEQEIWIRZDASB-PWSUYJOCSA-N	-1	0	284.312	0.255	20	30		CCEDRM
C[C@H]1CN(S(=O)(=O)CC(C)(C)C#N)C[C@@H](C(=O)[O-])O1	ZINC001599930647	985308385	/nfs/dbraw/zinc/30/83/85/985308385.db2.gz	ORSAXCGULBYVTI-IUCAKERBSA-N	-1	0	290.341	0.040	20	30		CCEDRM
C[C@@H]1CN(CCN(CC#N)CC(=O)[O-])C[C@@H](C)O1	ZINC001594526783	986060539	/nfs/dbraw/zinc/06/05/39/986060539.db2.gz	DNXLCGYMNNWSSQ-GHMZBOCLSA-N	-1	0	255.318	0.006	20	30		CCEDRM
C[C@@H](C#N)C(=O)N(C)CCCNc1ncc(C(=O)[O-])cn1	ZINC001589323664	986147942	/nfs/dbraw/zinc/14/79/42/986147942.db2.gz	JKFYJOHUVQOBJU-VIFPVBQESA-N	-1	0	291.311	0.595	20	30		CCEDRM
C[C@@H](C#N)C(=O)N1CC[C@@H](Nc2ncc(C(=O)[O-])cn2)C1	ZINC001589323734	986148791	/nfs/dbraw/zinc/14/87/91/986148791.db2.gz	LEBLKJDVQNOZNZ-WCBMZHEXSA-N	-1	0	289.295	0.347	20	30		CCEDRM
C[C@H](C#N)CN(C)C(=O)C(=O)Nc1cc(C(=O)[O-])n(C)c1	ZINC001589328682	986159155	/nfs/dbraw/zinc/15/91/55/986159155.db2.gz	GOPKZLKUVYTQKK-MRVPVSSYSA-N	-1	0	292.295	0.280	20	30		CCEDRM
C[C@@H](C#N)CN(C)C(=O)C(=O)N1C[C@@H](C)[C@H](CC(=O)[O-])C1	ZINC001589329663	986166067	/nfs/dbraw/zinc/16/60/67/986166067.db2.gz	RLEBKPXPBZYWOJ-HBNTYKKESA-N	-1	0	295.339	0.174	20	30		CCEDRM
C[C@H](C#N)CN(C)C(=O)CC[C@@H]1C[C@H](C(=O)[O-])CO1	ZINC001589329877	986168079	/nfs/dbraw/zinc/16/80/79/986168079.db2.gz	VJCKVQWUQZBZMD-OUAUKWLOSA-N	-1	0	268.313	0.874	20	30		CCEDRM
CCC(=O)N1CCN(c2ccc(C(=O)[O-])nc2C#N)C1	ZINC001594705211	987146490	/nfs/dbraw/zinc/14/64/90/987146490.db2.gz	BCLPJODSMZKKRW-UHFFFAOYSA-N	-1	0	274.280	0.668	20	30		CCEDRM
CC[C@H](C#N)C(=O)N1CC[C@H](OC)C[C@H]1C(=O)[O-]	ZINC001594721753	987204941	/nfs/dbraw/zinc/20/49/41/987204941.db2.gz	BTAZBXSJGDAJAN-UTLUCORTSA-N	-1	0	254.286	0.627	20	30		CCEDRM
CCC(C#N)(CC)C(=O)NC[C@]1(C(=O)[O-])CCOC1	ZINC001594721824	987205814	/nfs/dbraw/zinc/20/58/14/987205814.db2.gz	DMNBHSVCNZMEOI-CYBMUJFWSA-N	-1	0	268.313	0.924	20	30		CCEDRM
CC[C@H](C#N)C(=O)N[C@@]1(CC(=O)[O-])CCCOC1	ZINC001594722034	987208023	/nfs/dbraw/zinc/20/80/23/987208023.db2.gz	HPQZIHCYNZBWRR-BXKDBHETSA-N	-1	0	254.286	0.676	20	30		CCEDRM
CC[C@H](C#N)C(=O)N[C@@H](C[C@@H]1CCCOC1)C(=O)[O-]	ZINC001594722341	987211602	/nfs/dbraw/zinc/21/16/02/987211602.db2.gz	NCQDMWQNINDYIB-AXFHLTTASA-N	-1	0	268.313	0.922	20	30		CCEDRM
CC[C@H](C#N)C(=O)N1CC[C@H](n2cc(C(=O)[O-])nn2)C1	ZINC001594722661	987215131	/nfs/dbraw/zinc/21/51/31/987215131.db2.gz	SHDRSARCEVRELK-BDAKNGLRSA-N	-1	0	277.284	0.299	20	30		CCEDRM
CC[S@@](=O)CC(=O)O[C@H](C(=O)[O-])c1ccc(C#N)cc1	ZINC001597250553	987235792	/nfs/dbraw/zinc/23/57/92/987235792.db2.gz	SFKLGDZJGLDJNN-FKIZINRSSA-N	-1	0	295.316	0.996	20	30		CCEDRM
CC(C)(C#N)CC(=O)NCCn1cc(C(=O)[O-])nn1	ZINC001589553482	987289628	/nfs/dbraw/zinc/28/96/28/987289628.db2.gz	AZKIMQOBIQOHSO-UHFFFAOYSA-N	-1	0	265.273	0.032	20	30		CCEDRM
CC(C)(C#N)CC(=O)NC[C@H](C(=O)[O-])[C@H]1CCOC1	ZINC001589554139	987298849	/nfs/dbraw/zinc/29/88/49/987298849.db2.gz	VOZCUFUMYLPDFD-UWVGGRQHSA-N	-1	0	268.313	0.780	20	30		CCEDRM
CC[C@@H](C#N)NC(=O)COCc1ocnc1C(=O)[O-]	ZINC001597282168	987352510	/nfs/dbraw/zinc/35/25/10/987352510.db2.gz	AFGCYDREUXSPDY-ZETCQYMHSA-N	-1	0	267.241	0.308	20	30		CCEDRM
CCc1[nH]c(C(=O)N[C@@H](C#N)CO)c(C)c1C(=O)[O-]	ZINC001597363550	987530378	/nfs/dbraw/zinc/53/03/78/987530378.db2.gz	JXJZTYWCNBJNMG-ZETCQYMHSA-N	-1	0	265.269	0.198	20	30		CCEDRM
CC(C)(C)C#CC(=O)N1CC(n2cc(C(=O)[O-])nn2)C1	ZINC001589681867	987715648	/nfs/dbraw/zinc/71/56/48/987715648.db2.gz	IZUIGHPVNYWKSE-UHFFFAOYSA-N	-1	0	276.296	0.409	20	30		CCEDRM
CC(C)(C)CCS(=O)(=O)N(CC#N)CC(=O)[O-]	ZINC001589780024	988145941	/nfs/dbraw/zinc/14/59/41/988145941.db2.gz	FXBYSYKLXFQEFN-UHFFFAOYSA-N	-1	0	262.331	0.663	20	30		CCEDRM
CN(C(=O)C(=O)N1CCC(C#N)CC1)[C@H]1C[C@@H](C(=O)[O-])C1	ZINC001597982524	990053270	/nfs/dbraw/zinc/05/32/70/990053270.db2.gz	OHBSSMMSGGTYGV-PHIMTYICSA-N	-1	0	293.323	0.070	20	30		CCEDRM
CN(C(=O)CN(CC#N)CCC(=O)[O-])c1nccs1	ZINC001598019219	990207519	/nfs/dbraw/zinc/20/75/19/990207519.db2.gz	ONIZELQWCYRICO-UHFFFAOYSA-N	-1	0	282.325	0.406	20	30		CCEDRM
CC(C)(CNC(=O)NCC#C[C@@H]1CCCCO1)C(=O)[O-]	ZINC001590723077	990501903	/nfs/dbraw/zinc/50/19/03/990501903.db2.gz	ZDBSOWONEIDBGA-NSHDSACASA-N	-1	0	282.340	0.969	20	30		CCEDRM
CC(C)[C@@H](C#N)N1CCN(c2cc(C(=O)[O-])ncn2)CC1	ZINC001590953029	991018084	/nfs/dbraw/zinc/01/80/84/991018084.db2.gz	NNIPKXGUQCZXKO-GFCCVEGCSA-N	-1	0	289.339	0.845	20	30		CCEDRM
CC(C)[C@@](C)(C#N)NC(=O)CN1CCC[C@@]1(C)C(=O)[O-]	ZINC001590961212	991056688	/nfs/dbraw/zinc/05/66/88/991056688.db2.gz	OMVRMNDLCQBNOY-KGLIPLIRSA-N	-1	0	281.356	0.980	20	30		CCEDRM
CN(CCNc1ccc(C#N)cn1)C(=O)[C@H]1C[C@H]1C(=O)[O-]	ZINC001598495300	992350732	/nfs/dbraw/zinc/35/07/32/992350732.db2.gz	DPJVCPQZNISHPR-WDEREUQCSA-N	-1	0	288.307	0.544	20	30		CCEDRM
CC(C)C[C@H](NC(=O)CNc1cncc(C#N)n1)C(=O)[O-]	ZINC001591462101	992572475	/nfs/dbraw/zinc/57/24/75/992572475.db2.gz	BLWHZXQCEQBGHS-JTQLQIEISA-N	-1	0	291.311	0.376	20	30		CCEDRM
COc1ccc(S(=O)(=O)NCCCC#N)c(C(=O)[O-])c1	ZINC001599615353	994006554	/nfs/dbraw/zinc/00/65/54/994006554.db2.gz	BYGCWBZNZHQNQD-UHFFFAOYSA-N	-1	0	298.320	0.975	20	30		CCEDRM
Cn1c(C=NN2CCN(C)CC2)ccc1C(=O)[O-]	ZINC001598621762	994017553	/nfs/dbraw/zinc/01/75/53/994017553.db2.gz	UQKLHBWKOMTWQZ-UHFFFAOYSA-N	-1	0	250.302	0.305	20	30		CCEDRM
COc1ccc2nc(CN(CC#N)CCC(=O)[O-])[nH]c2n1	ZINC001599636861	994301426	/nfs/dbraw/zinc/30/14/26/994301426.db2.gz	KJSMTWSBMZIZCH-UHFFFAOYSA-N	-1	0	289.295	0.767	20	30		CCEDRM
COC(=O)C1(C#N)CCN(C(=O)[C@H](C)CC(=O)[O-])CC1	ZINC001598715945	995408765	/nfs/dbraw/zinc/40/87/65/995408765.db2.gz	RVCNFHZMXWVFEU-SECBINFHSA-N	-1	0	282.296	0.403	20	30		CCEDRM
CC1(C#N)CCN(CN2C[C@@H](C(=O)[O-])OC2=O)CC1	ZINC001593742762	996362810	/nfs/dbraw/zinc/36/28/10/996362810.db2.gz	DQUJGCUJJMJSTH-VIFPVBQESA-N	-1	0	267.285	0.475	20	30		CCEDRM
COC(=O)[C@@H]1CN(c2cc(C#N)ccn2)C[C@@H]1C(=O)[O-]	ZINC001598827957	996404856	/nfs/dbraw/zinc/40/48/56/996404856.db2.gz	OVYKHQBPKFRNAE-VHSXEESVSA-N	-1	0	275.264	0.263	20	30		CCEDRM
COC(=O)[C@@H]1CN(c2cc(C)ncc2C#N)C[C@@H]1C(=O)[O-]	ZINC001598830490	996431471	/nfs/dbraw/zinc/43/14/71/996431471.db2.gz	YBYJQVSCFFVWPF-WDEREUQCSA-N	-1	0	289.291	0.572	20	30		CCEDRM
COC(=O)CCN(CC#N)C(=O)[C@@H]1CCCC[C@@H]1C(=O)[O-]	ZINC001598854903	996629921	/nfs/dbraw/zinc/62/99/21/996629921.db2.gz	LGTRBMOPLDBMDR-MNOVXSKESA-N	-1	0	296.323	0.793	20	30		CCEDRM
CC1(C)C[C@@]1(C#N)NS(=O)(=O)c1ccc(C(=O)[O-])o1	ZINC001593863490	996663307	/nfs/dbraw/zinc/66/33/07/996663307.db2.gz	GSYQBBLDMIQFPA-NSHDSACASA-N	-1	0	284.293	0.948	20	30		CCEDRM
COC[C@@H](NC(=O)c1c[nH]c2cccc(C#N)c12)C(=O)[O-]	ZINC001599174342	996813907	/nfs/dbraw/zinc/81/39/07/996813907.db2.gz	PJZCHUGJXSWLFT-LLVKDONJSA-N	-1	0	287.275	0.869	20	30		CCEDRM
CO[C@@]1(C(=O)[O-])CCN(c2ncc(C#N)cc2F)C1	ZINC001599077964	996922227	/nfs/dbraw/zinc/92/22/27/996922227.db2.gz	NPFPIIFCRHUGKQ-LBPRGKRZSA-N	-1	0	265.244	0.772	20	30		CCEDRM
COC(=O)[C@@H](CC(=O)[O-])OC(=O)c1cc(C#N)oc1C	ZINC001598891214	996995761	/nfs/dbraw/zinc/99/57/61/996995761.db2.gz	ZMQQKXYCIPJGMG-SECBINFHSA-N	-1	0	281.220	0.633	20	30		CCEDRM
CC1(C)OCC[C@H]1NC(=O)N1CCC(C#N)(C(=O)[O-])CC1	ZINC001593981787	997207058	/nfs/dbraw/zinc/20/70/58/997207058.db2.gz	NPMSHRXLIZUCMG-SNVBAGLBSA-N	-1	0	295.339	0.954	20	30		CCEDRM
COc1cc(CN2CCC[C@@H](O)[C@@H]2C(=O)[O-])ccc1C#N	ZINC001599406831	997323939	/nfs/dbraw/zinc/32/39/39/997323939.db2.gz	DEZRNRNKQHNLEE-TZMCWYRMSA-N	-1	0	290.319	0.977	20	30		CCEDRM
COc1cc(CNC(=O)NC[C@H](F)C(=O)[O-])ccc1C#N	ZINC001599412079	997441636	/nfs/dbraw/zinc/44/16/36/997441636.db2.gz	RPKAIOZJYNYFEI-JTQLQIEISA-N	-1	0	295.270	0.789	20	30		CCEDRM
CO[C@@H]1CCC[C@H]([C@@H](NC(=O)[C@H](C)C#N)C(=O)[O-])C1	ZINC001599107535	997505267	/nfs/dbraw/zinc/50/52/67/997505267.db2.gz	VTPJQTOTUDLAOS-LMLFDSFASA-N	-1	0	268.313	0.921	20	30		CCEDRM
CON=CC(=O)N(CCC(=O)[O-])CC(=O)OC(C)(C)C	ZINC001599320598	997574611	/nfs/dbraw/zinc/57/46/11/997574611.db2.gz	QYFGNOIBWMWRSU-UHFFFAOYSA-N	-1	0	288.300	0.264	20	30		CCEDRM
CO[C@@H]1CCN(C(=O)CSCC#N)[C@H](C(=O)[O-])C1	ZINC001599118961	997704542	/nfs/dbraw/zinc/70/45/42/997704542.db2.gz	IWSWLWBUEFIMNL-BDAKNGLRSA-N	-1	0	272.326	0.334	20	30		CCEDRM
CO[C@H]1CN(C(=O)C#CC2CC2)[C@@](C)(C(=O)[O-])C1	ZINC001599127966	997886689	/nfs/dbraw/zinc/88/66/89/997886689.db2.gz	OAVRGFZKFIFTKV-ZWNOBZJWSA-N	-1	0	251.282	0.490	20	30		CCEDRM
COc1cc(C(=O)N2CC[C@H]2C(=O)[O-])ccc1C#N	ZINC001599351358	998098818	/nfs/dbraw/zinc/09/88/18/998098818.db2.gz	XQIQPPKJERCHCP-JTQLQIEISA-N	-1	0	260.249	0.866	20	30		CCEDRM
COC[C@@](C)(C#N)NC(=O)c1ccc(C(=O)[O-])[nH]1	ZINC001599143977	998180124	/nfs/dbraw/zinc/18/01/24/998180124.db2.gz	OHZYBKWKRQRSOJ-LLVKDONJSA-N	-1	0	251.242	0.371	20	30		CCEDRM
C[C@H]1C(=O)CC[C@H]1CC(=O)N(CC#N)CC(=O)[O-]	ZINC001594120965	998276058	/nfs/dbraw/zinc/27/60/58/998276058.db2.gz	ACYQXOIXRRFYCX-BDAKNGLRSA-N	-1	0	252.270	0.428	20	30		CCEDRM
C[C@H]1[C@@H](C(=O)[O-])CCN1C(=O)c1cc(C#N)ccn1	ZINC001594158646	998587175	/nfs/dbraw/zinc/58/71/75/998587175.db2.gz	KUSSRIHZPMHNKM-WPRPVWTQSA-N	-1	0	259.265	0.888	20	30		CCEDRM
COC(=O)c1cccc(CN(CC#N)CCC(=O)[O-])n1	ZINC001598995154	998772470	/nfs/dbraw/zinc/77/24/70/998772470.db2.gz	FLPCPHHDHOFXJF-UHFFFAOYSA-N	-1	0	277.280	0.668	20	30		CCEDRM
COC(CN(CCC(=O)[O-])C(=O)c1c[nH]c(C#N)c1)OC	ZINC001599045868	999150276	/nfs/dbraw/zinc/15/02/76/999150276.db2.gz	WKMFVDJPPNKIEW-UHFFFAOYSA-N	-1	0	295.295	0.422	20	30		CCEDRM
N#CCc1ccccc1S(=O)(=O)N1CCC[C@@H]1C(=O)[O-]	ZINC000600939642	362093780	/nfs/dbraw/zinc/09/37/80/362093780.db2.gz	ASBDODMJABWHDX-LLVKDONJSA-N	-1	0	294.332	0.990	20	30		CCEDRM
CCn1cc(C(=O)N=c2[nH][n-]c(C)c2C#N)c(C)n1	ZINC000600826447	362073071	/nfs/dbraw/zinc/07/30/71/362073071.db2.gz	NNBPOVMDEUZMBF-UHFFFAOYSA-N	-1	0	258.285	0.789	20	30		CCEDRM
CN(Cc1cccc(C#N)c1)C(=O)CCc1nnn[n-]1	ZINC000600990848	362120583	/nfs/dbraw/zinc/12/05/83/362120583.db2.gz	HIXWDLYRFWRDOV-UHFFFAOYSA-N	-1	0	270.296	0.663	20	30		CCEDRM
N#CC[C@@H]1CC[C@H](NS(=O)(=O)c2ncc[n-]2)C1	ZINC000601426179	362268416	/nfs/dbraw/zinc/26/84/16/362268416.db2.gz	SFAOGLNWMHTYLS-IUCAKERBSA-N	-1	0	254.315	0.770	20	30		CCEDRM
N#Cc1ccc(S(=O)(=O)NCCCCCC(=O)[O-])cn1	ZINC000127107800	187283090	/nfs/dbraw/zinc/28/30/90/187283090.db2.gz	UQOCITFLLCHBFC-UHFFFAOYSA-N	-1	0	297.336	0.877	20	30		CCEDRM
CN=c1[n-]nc(CC(=O)N(C)[C@@H]2CCC[C@H]2C#N)s1	ZINC000601823926	362402140	/nfs/dbraw/zinc/40/21/40/362402140.db2.gz	XXTYVCXYRVIMDA-DTWKUNHWSA-N	-1	0	279.369	0.695	20	30		CCEDRM
CN(CC1CC1)C(=O)CCn1cc(C#N)c(=O)[n-]c1=O	ZINC000602076900	362473009	/nfs/dbraw/zinc/47/30/09/362473009.db2.gz	VHGWVNKNOAVLPX-UHFFFAOYSA-N	-1	0	276.296	0.079	20	30		CCEDRM
C[C@@H]1[C@@H](C)[C@H](C)CN1C(=O)Cn1cc(C#N)c(=O)[n-]c1=O	ZINC000602165284	362537382	/nfs/dbraw/zinc/53/73/82/362537382.db2.gz	QZBREWZMWCZTNI-KXUCPTDWSA-N	-1	0	290.323	0.323	20	30		CCEDRM
CC[C@@H](NC(C)=O)C(=O)N=c1[n-]n(C(C)(C)C)cc1C#N	ZINC000602279712	362574095	/nfs/dbraw/zinc/57/40/95/362574095.db2.gz	FLFXPARNCKUSAR-LLVKDONJSA-N	-1	0	291.355	0.785	20	30		CCEDRM
Cn1cc(C#N)c(=NC(=O)c2cncc(N3CCCC3)n2)[n-]1	ZINC000602282944	362574944	/nfs/dbraw/zinc/57/49/44/362574944.db2.gz	QVMCSPQHXYZWIF-UHFFFAOYSA-N	-1	0	297.322	0.356	20	30		CCEDRM
C=CCOC[C@@H](NS(=O)(=O)c1ccco1)C(=O)[O-]	ZINC000573680759	334956970	/nfs/dbraw/zinc/95/69/70/334956970.db2.gz	FIPCKSQKRVPJRL-MRVPVSSYSA-N	-1	0	275.282	0.214	20	30		CCEDRM
Cc1c(C#N)c(=NC(=O)c2cnn(C3CC3)c2)[n-]n1C	ZINC000602349515	362594134	/nfs/dbraw/zinc/59/41/34/362594134.db2.gz	WDFAOLWBJRLWAQ-UHFFFAOYSA-N	-1	0	270.296	0.806	20	30		CCEDRM
C=CCCCCCNC(=O)c1n[nH]c(=O)[n-]c1=O	ZINC000655246968	412520803	/nfs/dbraw/zinc/52/08/03/412520803.db2.gz	BPFRRFCVCGUSIG-UHFFFAOYSA-N	-1	0	252.274	0.759	20	30		CCEDRM
CC[C@@H](C)N(CC(=O)[O-])S(=O)(=O)c1cccnc1C#N	ZINC000233843047	136963309	/nfs/dbraw/zinc/96/33/09/136963309.db2.gz	MEWBHYCMFPHWLB-SECBINFHSA-N	-1	0	297.336	0.827	20	30		CCEDRM
C[C@@](O)(CNc1ccc(C#N)cc1[N+](=O)[O-])C(=O)[O-]	ZINC000263540163	137067903	/nfs/dbraw/zinc/06/79/03/137067903.db2.gz	CDENLWLZSVENIP-LLVKDONJSA-N	-1	0	265.225	0.714	20	30		CCEDRM
C[C@](O)(CNc1nc2c(cc1C#N)CCC2)C(=O)[O-]	ZINC000263553576	137068118	/nfs/dbraw/zinc/06/81/18/137068118.db2.gz	MRLCNFCLNIFZFI-ZDUSSCGKSA-N	-1	0	261.281	0.689	20	30		CCEDRM
Cc1ncc(S(=O)(=O)[N-]c2n[nH]cc2C#N)cc1C#N	ZINC000312331202	137077068	/nfs/dbraw/zinc/07/70/68/137077068.db2.gz	AIFFDJBCIFBMGO-UHFFFAOYSA-N	-1	0	288.292	0.657	20	30		CCEDRM
CO[C@@H](CNC(=O)N=c1[n-]n(C)cc1C#N)C1CC1	ZINC000602883885	362862616	/nfs/dbraw/zinc/86/26/16/362862616.db2.gz	YOGCDZVBDXHFJS-JTQLQIEISA-N	-1	0	263.301	0.260	20	30		CCEDRM
Cn1cc(C#N)c(=NC(=O)N2CCC[C@@H](CC#N)C2)[n-]1	ZINC000602884737	362863013	/nfs/dbraw/zinc/86/30/13/362863013.db2.gz	CLDRQPDUDUEXAI-JTQLQIEISA-N	-1	0	272.312	0.871	20	30		CCEDRM
Cn1cc(C#N)c(=NC(=O)NCCc2ccoc2)[n-]1	ZINC000602885970	362865166	/nfs/dbraw/zinc/86/51/66/362865166.db2.gz	HECFWDBFTUGJRN-UHFFFAOYSA-N	-1	0	259.269	0.671	20	30		CCEDRM
Cn1cc(C#N)c(=NC(=O)NC[C@]2(C)CC2(F)F)[n-]1	ZINC000602887200	362866190	/nfs/dbraw/zinc/86/61/90/362866190.db2.gz	NAABETBWRGICLK-JTQLQIEISA-N	-1	0	269.255	0.880	20	30		CCEDRM
Cn1cc(C#N)c(=NC(=O)N2CCO[C@](C)(C3CC3)C2)[n-]1	ZINC000602889124	362867197	/nfs/dbraw/zinc/86/71/97/362867197.db2.gz	WXHRVJJHFFLJAB-AWEZNQCLSA-N	-1	0	289.339	0.746	20	30		CCEDRM
C[C@H]1C[C@H](CO)CN(C(=O)N=c2[n-]n(C)cc2C#N)C1	ZINC000602888394	362867370	/nfs/dbraw/zinc/86/73/70/362867370.db2.gz	UKZDEZYRDPPXAC-UWVGGRQHSA-N	-1	0	277.328	0.196	20	30		CCEDRM
Cn1cc(C#N)c(=NC(=O)N[C@@H]2CO[C@@H](C3CC3)C2)[n-]1	ZINC000602881150	362860651	/nfs/dbraw/zinc/86/06/51/362860651.db2.gz	IUZZEIQPKIEXKH-WDEREUQCSA-N	-1	0	275.312	0.403	20	30		CCEDRM
Cc1cnn(CCC(=O)Nc2nc(C#N)c(C#N)[n-]2)c1	ZINC000048733962	348423942	/nfs/dbraw/zinc/42/39/42/348423942.db2.gz	KVWRQRNMNSMFLI-UHFFFAOYSA-N	-1	0	269.268	0.687	20	30		CCEDRM
N#Cc1ccc(OCC(=O)N2CC[C@H](C(=O)[O-])C2)cc1	ZINC000062118861	348665281	/nfs/dbraw/zinc/66/52/81/348665281.db2.gz	ZFPPILOMBDULJZ-NSHDSACASA-N	-1	0	274.276	0.870	20	30		CCEDRM
Cn1cc(C#N)cc1C(=O)/N=c1\[n-]nc2ccccn21	ZINC000081018194	349241307	/nfs/dbraw/zinc/24/13/07/349241307.db2.gz	ZBUPPQLIHSKMET-UHFFFAOYSA-N	-1	0	266.264	0.614	20	30		CCEDRM
Cc1[nH]nc([N-]S(=O)(=O)c2ccn(C)n2)c1C#N	ZINC000351689394	137442254	/nfs/dbraw/zinc/44/22/54/137442254.db2.gz	BTTVFPMJOOTJHK-UHFFFAOYSA-N	-1	0	266.286	0.124	20	30		CCEDRM
CC(C)n1cc(C#N)c([N-]S(=O)(=O)N(C)C)n1	ZINC000089894021	349410962	/nfs/dbraw/zinc/41/09/62/349410962.db2.gz	UOHFJGHFDXKNAU-UHFFFAOYSA-N	-1	0	257.319	0.554	20	30		CCEDRM
Cc1ocnc1C(=O)[N-]S(=O)(=O)c1ccc(C#N)cc1	ZINC000105753627	186070661	/nfs/dbraw/zinc/07/06/61/186070661.db2.gz	JWMXKULHTRFQHI-UHFFFAOYSA-N	-1	0	291.288	0.973	20	30		CCEDRM
CC[C@H](NS(=O)(=O)c1ccc(C#N)c(F)c1)C(=O)[O-]	ZINC000291920854	198105179	/nfs/dbraw/zinc/10/51/79/198105179.db2.gz	UTSMJEBIDCIWOA-JTQLQIEISA-N	-1	0	286.284	0.839	20	30		CCEDRM
Cn1c(NCCCCCC(=O)[O-])c(C#N)c(=O)n(C)c1=O	ZINC000416428219	233834586	/nfs/dbraw/zinc/83/45/86/233834586.db2.gz	PPYOIBCXDIGPQR-UHFFFAOYSA-N	-1	0	294.311	0.013	20	30		CCEDRM
Cc1noc(C[N-]S(=O)(=O)c2ccc(C#N)s2)n1	ZINC000230338719	352112660	/nfs/dbraw/zinc/11/26/60/352112660.db2.gz	JYZYQZSJUIFSNE-UHFFFAOYSA-N	-1	0	284.322	0.790	20	30		CCEDRM
Cc1cc(S(=O)(=O)NC[C@H](C)C(=O)[O-])ccc1C#N	ZINC000235119137	352180269	/nfs/dbraw/zinc/18/02/69/352180269.db2.gz	BBOFVLVHSAHCSW-VIFPVBQESA-N	-1	0	282.321	0.866	20	30		CCEDRM
C=CC[C@H](CO)NC(=O)CSc1n[n-]c(=S)s1	ZINC000273494666	192174816	/nfs/dbraw/zinc/17/48/16/192174816.db2.gz	OWFRVTXTDZPKNT-ZCFIWIBFSA-N	-1	0	291.423	0.972	20	30		CCEDRM
C=CCNc1ncc(C(=O)NCCc2nc(=O)o[n-]2)s1	ZINC000279664171	353308501	/nfs/dbraw/zinc/30/85/01/353308501.db2.gz	IVLSITBZNGYTMT-UHFFFAOYSA-N	-1	0	295.324	0.390	20	30		CCEDRM
C#CCN(C)C(=O)[C@@H]([N-]C(=O)C(F)(F)F)C(C)C	ZINC000279671577	353308683	/nfs/dbraw/zinc/30/86/83/353308683.db2.gz	GRJKBAUWTOYOTB-QMMMGPOBSA-N	-1	0	264.247	0.781	20	30		CCEDRM
COCCS(=O)(=O)[N-]c1nc2c(cc1C#N)CCC2	ZINC000284077561	353547871	/nfs/dbraw/zinc/54/78/71/353547871.db2.gz	NDFKLSDMYMSZSM-UHFFFAOYSA-N	-1	0	281.337	0.830	20	30		CCEDRM
C[C@@H]1[C@@H](C(=O)[O-])CCN1S(=O)(=O)c1ccc(C#N)o1	ZINC000287419902	353645609	/nfs/dbraw/zinc/64/56/09/353645609.db2.gz	FWZVLMPKUKSYTD-APPZFPTMSA-N	-1	0	284.293	0.635	20	30		CCEDRM
CCOC[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)[O-]	ZINC000290477471	353729103	/nfs/dbraw/zinc/72/91/03/353729103.db2.gz	FWPUQBDUGHWFBT-NSHDSACASA-N	-1	0	298.320	0.326	20	30		CCEDRM
C[C@@H](CCNS(=O)(=O)c1cncc(C#N)c1)CC(=O)[O-]	ZINC000290734768	353746110	/nfs/dbraw/zinc/74/61/10/353746110.db2.gz	WMXNDUDWBUFDBU-VIFPVBQESA-N	-1	0	297.336	0.732	20	30		CCEDRM
N#Cc1nc(NCc2n[nH]c(=O)[n-]2)ccc1C(F)(F)F	ZINC000337010911	355247033	/nfs/dbraw/zinc/24/70/33/355247033.db2.gz	GFYUUUKUWSXYNZ-UHFFFAOYSA-N	-1	0	284.201	0.830	20	30		CCEDRM
N#Cc1ccc([N+](=O)[O-])c(NCCc2nc(=N)[n-]o2)c1	ZINC000341434309	355671133	/nfs/dbraw/zinc/67/11/33/355671133.db2.gz	QAFWGXLHRXOGAO-UHFFFAOYSA-N	-1	0	274.240	0.917	20	30		CCEDRM
CC#CCN(C)C(=O)C(=O)N=c1nc(C(C)(C)C)[n-]s1	ZINC000344173148	355787423	/nfs/dbraw/zinc/78/74/23/355787423.db2.gz	LCWPAWKLDPTYPY-UHFFFAOYSA-N	-1	0	294.380	0.678	20	30		CCEDRM
N#Cc1ccc(S(=O)(=O)NCCC(=O)[O-])cc1F	ZINC000427669194	235375317	/nfs/dbraw/zinc/37/53/17/235375317.db2.gz	WWCSYAIXHTVUNF-UHFFFAOYSA-N	-1	0	272.257	0.450	20	30		CCEDRM
N#Cc1ccc(F)c(CS(=O)(=O)NCCC(=O)[O-])c1	ZINC000361998964	138041848	/nfs/dbraw/zinc/04/18/48/138041848.db2.gz	GZNACGPOSGOHEJ-UHFFFAOYSA-N	-1	0	286.284	0.591	20	30		CCEDRM
CC(=O)c1ccc(C(=O)N=c2[n-]n(C)cc2C#N)o1	ZINC000362754323	138072820	/nfs/dbraw/zinc/07/28/20/138072820.db2.gz	YNGYTCXAVBEMSU-UHFFFAOYSA-N	-1	0	258.237	0.762	20	30		CCEDRM
CC(C)(C#N)c1ccc(C(=O)NCc2nnn[n-]2)cc1	ZINC000619435969	366252278	/nfs/dbraw/zinc/25/22/78/366252278.db2.gz	MRSMZSCMKRZRFB-UHFFFAOYSA-N	-1	0	270.296	0.931	20	30		CCEDRM
N#Cc1ccc(SCC(=O)NCc2nnn[n-]2)cc1	ZINC000609532008	363502486	/nfs/dbraw/zinc/50/24/86/363502486.db2.gz	DTUMEMDZQQIDKQ-UHFFFAOYSA-N	-1	0	274.309	0.480	20	30		CCEDRM
Cn1ncc2cc(C(=O)Nc3nc(C#N)c(C#N)[n-]3)cnc21	ZINC000610475833	363563305	/nfs/dbraw/zinc/56/33/05/363563305.db2.gz	BXCLSGRURPVWRH-UHFFFAOYSA-N	-1	0	292.262	0.687	20	30		CCEDRM
COC[C@@H](C)[C@@H](C)C(=O)N=c1[nH][n-]c(C)c1C#N	ZINC000360453096	357015375	/nfs/dbraw/zinc/01/53/75/357015375.db2.gz	BDPQPTWWISSLMR-HTQZYQBOSA-N	-1	0	250.302	0.869	20	30		CCEDRM
Cn1cc(C#N)c(=NC(=O)NCc2ccccn2)[n-]1	ZINC000610528008	363572529	/nfs/dbraw/zinc/57/25/29/363572529.db2.gz	GHOVHVGRQZYTBN-UHFFFAOYSA-N	-1	0	256.269	0.430	20	30		CCEDRM
CSCCCCNC(=O)N=c1[n-]n(C)cc1C#N	ZINC000610560542	363575174	/nfs/dbraw/zinc/57/51/74/363575174.db2.gz	KEQGSGXXUWCZEK-UHFFFAOYSA-N	-1	0	267.358	0.978	20	30		CCEDRM
CN(Cc1cscn1)C(=O)N=c1[n-]n(C)cc1C#N	ZINC000610561760	363576382	/nfs/dbraw/zinc/57/63/82/363576382.db2.gz	CTJOEFFYWQRMCZ-UHFFFAOYSA-N	-1	0	276.325	0.834	20	30		CCEDRM
COCC1CCN(C(=O)N=c2[n-]n(C)cc2C#N)CC1	ZINC000610561672	363576782	/nfs/dbraw/zinc/57/67/82/363576782.db2.gz	BAMARXBEUKSALE-UHFFFAOYSA-N	-1	0	277.328	0.604	20	30		CCEDRM
C[C@@]1(C(=O)[O-])CCCN1S(=O)(=O)c1ccc(C#N)o1	ZINC000376674514	357491577	/nfs/dbraw/zinc/49/15/77/357491577.db2.gz	SYCMGZZTCMFLTL-NSHDSACASA-N	-1	0	284.293	0.779	20	30		CCEDRM
C=CCOC[C@H](NC(=O)NCCC(C)C)C(=O)[O-]	ZINC000684709925	545727454	/nfs/dbraw/zinc/72/74/54/545727454.db2.gz	ABVQWNIAVJAJIP-JTQLQIEISA-N	-1	0	258.318	0.988	20	30		CCEDRM
Cn1cc(C#N)c(=NC(=O)NC[C@]2(C)CCCO2)[n-]1	ZINC000610674748	363595386	/nfs/dbraw/zinc/59/53/86/363595386.db2.gz	JEAUPNOTQMXPSI-LBPRGKRZSA-N	-1	0	263.301	0.404	20	30		CCEDRM
CC[C@H](CCO)CNC(=O)N=c1[n-]n(C)cc1C#N	ZINC000610674756	363595298	/nfs/dbraw/zinc/59/52/98/363595298.db2.gz	KMIWOOQWLLBUHY-SECBINFHSA-N	-1	0	265.317	0.244	20	30		CCEDRM
N#Cc1ccc(C(=O)N2CCN3C(=O)CC[C@@H]3C2)cc1O	ZINC000408425375	358087116	/nfs/dbraw/zinc/08/71/16/358087116.db2.gz	FUHLLBDFTUJSEX-GFCCVEGCSA-N	-1	0	285.303	0.711	20	30		CCEDRM
Cn1cc(C#N)c(=NC(=O)N[C@H]2CC[C@@H](CO)CC2)[n-]1	ZINC000610713598	363601511	/nfs/dbraw/zinc/60/15/11/363601511.db2.gz	BRMZUAKKNGLSQK-JGZJWPJOSA-N	-1	0	277.328	0.386	20	30		CCEDRM
N#Cc1c(C2CC2)[n-][nH]c1=NC(=O)[C@H]1CCn2cncc2C1	ZINC000329274547	202260298	/nfs/dbraw/zinc/26/02/98/202260298.db2.gz	BEEOAPZYCMCTGS-JTQLQIEISA-N	-1	0	296.334	0.978	20	30		CCEDRM
C=CCN(CC(=O)[O-])S(=O)(=O)C[C@@H](C)COCC	ZINC000563081981	358556179	/nfs/dbraw/zinc/55/61/79/358556179.db2.gz	UJICVLLKZTYFJU-JTQLQIEISA-N	-1	0	279.358	0.561	20	30		CCEDRM
CN(CCC#N)S(=O)(=O)N[C@@H]1CCCC[C@@H]1C(=O)[O-]	ZINC000563146029	358556672	/nfs/dbraw/zinc/55/66/72/358556672.db2.gz	JGBWAIGVZJSUGY-VHSXEESVSA-N	-1	0	289.357	0.310	20	30		CCEDRM
C=CCn1cc(CNC(=O)NC[C@H](C(=O)[O-])C(C)C)nn1	ZINC000655879531	412674886	/nfs/dbraw/zinc/67/48/86/412674886.db2.gz	ORTOJFQCDRRYBN-NSHDSACASA-N	-1	0	295.343	0.620	20	30		CCEDRM
C=CCCCNC(=O)C(=O)N1CCC[C@H](CC(=O)[O-])C1	ZINC000573909350	359009735	/nfs/dbraw/zinc/00/97/35/359009735.db2.gz	NEIHRCCQKFPSEQ-LLVKDONJSA-N	-1	0	282.340	0.782	20	30		CCEDRM
C=CCC[C@@H](NS(=O)(=O)c1ccnn1CC)C(=O)[O-]	ZINC000581642749	359126569	/nfs/dbraw/zinc/12/65/69/359126569.db2.gz	UCWQIABLWVBPEL-SECBINFHSA-N	-1	0	287.341	0.601	20	30		CCEDRM
N#Cc1cccc(F)c1CC(=O)NCc1nnn[n-]1	ZINC000586779316	359289030	/nfs/dbraw/zinc/28/90/30/359289030.db2.gz	DEMZVNJFZAKWFZ-UHFFFAOYSA-N	-1	0	260.232	0.069	20	30		CCEDRM
Cc1[n-][nH]c(=NC(=O)C2(C(=O)NC3CC3)CC2)c1C#N	ZINC000588717382	359334283	/nfs/dbraw/zinc/33/42/83/359334283.db2.gz	AJPLVDNHKROAFI-UHFFFAOYSA-N	-1	0	273.296	0.009	20	30		CCEDRM
N#Cc1nc(N2CCO[C@H](C(=O)[O-])C2)ccc1Cl	ZINC000591325387	359577297	/nfs/dbraw/zinc/57/72/97/359577297.db2.gz	KEEMJDJYNCQNHN-VIFPVBQESA-N	-1	0	267.672	0.896	20	30		CCEDRM
CC[C@@H](NC(=O)N=c1[n-]n(C)cc1C#N)[C@@H](O)C(C)C	ZINC000591338187	359579426	/nfs/dbraw/zinc/57/94/26/359579426.db2.gz	UPUZRFYGDHSWLE-MNOVXSKESA-N	-1	0	279.344	0.631	20	30		CCEDRM
C=CCOCC(=O)N[C@@H](c1nnn[n-]1)c1ccccc1	ZINC000591442154	359593696	/nfs/dbraw/zinc/59/36/96/359593696.db2.gz	ZJVMMSMLGOLZRB-GFCCVEGCSA-N	-1	0	273.296	0.608	20	30		CCEDRM
C=C[C@@H]1OCC[C@H]1CNC(=O)N=c1[n-]n(C)cc1C#N	ZINC000591865016	359666258	/nfs/dbraw/zinc/66/62/58/359666258.db2.gz	BXFRNRUFSNPWTJ-ONGXEEELSA-N	-1	0	275.312	0.426	20	30		CCEDRM
Cn1cc(C#N)c(=NC(=O)N2CC(CC(F)F)C2)[n-]1	ZINC000591865264	359666270	/nfs/dbraw/zinc/66/62/70/359666270.db2.gz	ZRTARIRCEWYPRD-UHFFFAOYSA-N	-1	0	269.255	0.833	20	30		CCEDRM
CC[C@H](C(=O)N=c1[n-]n(C)c(C)c1C#N)N1CCCC1=O	ZINC000592645473	359908086	/nfs/dbraw/zinc/90/80/86/359908086.db2.gz	HCHAGEQWAFNPRA-LLVKDONJSA-N	-1	0	289.339	0.362	20	30		CCEDRM
Cc1c(C#N)c(=NC(=O)c2cc(C)nc(C)n2)[n-]n1C	ZINC000592655933	359910454	/nfs/dbraw/zinc/91/04/54/359910454.db2.gz	ZHIBINSERFZTDM-UHFFFAOYSA-N	-1	0	270.296	0.681	20	30		CCEDRM
CC#CC[C@H](CO)NC(=O)c1cc([O-])ccc1[N+](=O)[O-]	ZINC000592922722	359982878	/nfs/dbraw/zinc/98/28/78/359982878.db2.gz	CTGRLSMTYCHDHE-SECBINFHSA-N	-1	0	278.264	0.805	20	30		CCEDRM
C[C@@H](CC#N)N(C)S(=O)(=O)N1CCC[C@@H]1CC(=O)[O-]	ZINC000593269807	360058564	/nfs/dbraw/zinc/05/85/64/360058564.db2.gz	OSFXCNRYBLSBCR-VHSXEESVSA-N	-1	0	289.357	0.404	20	30		CCEDRM
C[C@@H](C(=O)[O-])C1(NS(=O)(=O)c2ccc(C#N)o2)CC1	ZINC000593273698	360059675	/nfs/dbraw/zinc/05/96/75/360059675.db2.gz	MBTMYSUUAMQHBR-ZETCQYMHSA-N	-1	0	284.293	0.683	20	30		CCEDRM
Cn1cc(C#N)c(=NC(=O)c2ccn(C(C)(C)C)n2)[n-]1	ZINC000593988321	360228807	/nfs/dbraw/zinc/22/88/07/360228807.db2.gz	GNZGQHSGKKYPGG-UHFFFAOYSA-N	-1	0	272.312	0.917	20	30		CCEDRM
CC(C)[C@@H](C#N)N1CCN(Cc2n[nH]c(=O)[n-]2)CC1	ZINC000611432241	363718343	/nfs/dbraw/zinc/71/83/43/363718343.db2.gz	XIJYKEHGRFAATK-SNVBAGLBSA-N	-1	0	264.333	0.176	20	30		CCEDRM
N#CCC1(CS(=O)(=O)NCc2nocc2C(=O)[O-])CC1	ZINC000594571912	360332128	/nfs/dbraw/zinc/33/21/28/360332128.db2.gz	FCCUOXCPURELLZ-UHFFFAOYSA-N	-1	0	299.308	0.486	20	30		CCEDRM
CO[C@@H](CS(=O)(=O)N[C@H](C#N)C(C)C)[C@H]1CCOC1	ZINC000594723933	360368055	/nfs/dbraw/zinc/36/80/55/360368055.db2.gz	REISTGDAPZDRQH-TUAOUCFPSA-N	-1	0	290.385	0.505	20	30		CCEDRM
N#Cc1ccc(CCNC(=O)[C@H]2CC[C@H](C(=O)[O-])O2)cc1	ZINC000594662348	360357317	/nfs/dbraw/zinc/35/73/17/360357317.db2.gz	XJCJRCWIZMSIKU-CHWSQXEVSA-N	-1	0	288.303	0.849	20	30		CCEDRM
CC(C)(C#N)CNC(=O)C(=O)Nc1cccnc1C(=O)[O-]	ZINC000595237511	360453984	/nfs/dbraw/zinc/45/39/84/360453984.db2.gz	FOMGIXSQZVADNC-UHFFFAOYSA-N	-1	0	290.279	0.384	20	30		CCEDRM
CC(C)[C@@](C)(C#N)NC(=O)[C@@H](C)N(C)Cc1n[n-]c(=O)o1	ZINC000595547776	360576129	/nfs/dbraw/zinc/57/61/29/360576129.db2.gz	RWRDXGJGDHANMA-NOZJJQNGSA-N	-1	0	295.343	0.650	20	30		CCEDRM
N#Cc1nc(N[C@@H]2C[C@@H](C(=O)[O-])C[C@H]2O)sc1Cl	ZINC000595979355	360754758	/nfs/dbraw/zinc/75/47/58/360754758.db2.gz	SZUXVSSRALCNNF-WYDQCIBASA-N	-1	0	287.728	0.726	20	30		CCEDRM
N#Cc1cc2cccnc2nc1N1CCO[C@H](C(=O)[O-])C1	ZINC000595965502	360740194	/nfs/dbraw/zinc/74/01/94/360740194.db2.gz	CXEMGCZXAPVINQ-NSHDSACASA-N	-1	0	284.275	0.791	20	30		CCEDRM
N#CCCCS(=O)(=O)NC[C@@H](C(=O)[O-])C1CCC1	ZINC000596025894	360778460	/nfs/dbraw/zinc/77/84/60/360778460.db2.gz	DFELOIJAWVDJSU-SNVBAGLBSA-N	-1	0	274.342	0.710	20	30		CCEDRM
N#Cc1nc(NCCCc2n[nH]c(=O)[n-]2)sc1Cl	ZINC000596145271	360811225	/nfs/dbraw/zinc/81/12/25/360811225.db2.gz	NYYLGQHMEAVGCR-UHFFFAOYSA-N	-1	0	284.732	0.958	20	30		CCEDRM
C=CCOCCCN=c1ccc(C(=O)OC)n[n-]1	ZINC000596473179	360904142	/nfs/dbraw/zinc/90/41/42/360904142.db2.gz	NCLWCBBAWDWWNU-UHFFFAOYSA-N	-1	0	251.286	0.690	20	30		CCEDRM
C[C@@]1(C#N)CCN(C(=O)N=c2nc3ccccn3[n-]2)C1	ZINC000596825528	360961843	/nfs/dbraw/zinc/96/18/43/360961843.db2.gz	SLLIZZVEVKZSSQ-ZDUSSCGKSA-N	-1	0	270.296	0.919	20	30		CCEDRM
Cc1nc(=NC(=O)N2CCC[C@@H](CC#N)C2)[n-]n1C	ZINC000596919781	360978723	/nfs/dbraw/zinc/97/87/23/360978723.db2.gz	NNDWBWDGJUEXCM-JTQLQIEISA-N	-1	0	262.317	0.703	20	30		CCEDRM
N#CC1(NC(=O)c2cc(S(N)(=O)=O)ccc2[O-])CCC1	ZINC000596948185	360982800	/nfs/dbraw/zinc/98/28/00/360982800.db2.gz	FSUKBHVHPASECR-UHFFFAOYSA-N	-1	0	295.320	0.216	20	30		CCEDRM
CC(C)Cc1nc(=NC(=O)Cn2cnc(C#N)n2)s[n-]1	ZINC000598191032	361353262	/nfs/dbraw/zinc/35/32/62/361353262.db2.gz	KZIATNKJKHIYQI-UHFFFAOYSA-N	-1	0	291.340	0.260	20	30		CCEDRM
C=CC[C@H](CC)[N-]S(=O)(=O)c1nn(C)cc1[N+](=O)[O-]	ZINC000599297902	361641441	/nfs/dbraw/zinc/64/14/41/361641441.db2.gz	RNWWFUXXNCWAMR-QMMMGPOBSA-N	-1	0	288.329	0.961	20	30		CCEDRM
CS(=O)(=O)[N-]c1ccc(C(=O)NCCCCC#N)cn1	ZINC000599342882	361662519	/nfs/dbraw/zinc/66/25/19/361662519.db2.gz	UDVFNFYZGDXHHH-UHFFFAOYSA-N	-1	0	296.352	0.877	20	30		CCEDRM
Cn1cc(C#N)c(=NC(=O)N2CCC(C)(CO)CC2)[n-]1	ZINC000613052473	364101094	/nfs/dbraw/zinc/10/10/94/364101094.db2.gz	KFIMNZOJHGEOPD-UHFFFAOYSA-N	-1	0	277.328	0.340	20	30		CCEDRM
COc1cc(C#N)ccc1NC(=O)NCc1n[nH]c(=O)[n-]1	ZINC000613301317	364206811	/nfs/dbraw/zinc/20/68/11/364206811.db2.gz	IVLHRCKNJGABRP-UHFFFAOYSA-N	-1	0	288.267	0.712	20	30		CCEDRM
CC(C)[C@@H](CC(=O)[O-])NS(=O)(=O)CC1(C#N)CC1	ZINC000614352220	364581313	/nfs/dbraw/zinc/58/13/13/364581313.db2.gz	WHIIMYMJKGUYGI-SECBINFHSA-N	-1	0	274.342	0.709	20	30		CCEDRM
Cn1cc(C#N)c(=NC(=O)N2CCC[C@H]2CCO)[n-]1	ZINC000614688556	364698487	/nfs/dbraw/zinc/69/84/87/364698487.db2.gz	DVJBKAXTCFFSTK-JTQLQIEISA-N	-1	0	263.301	0.092	20	30		CCEDRM
N#CC1(CS(=O)(=O)NC/C=C\C(=O)[O-])CCCC1	ZINC000788449880	581111792	/nfs/dbraw/zinc/11/17/92/581111792.db2.gz	YZILQPXROCENLM-ARJAWSKDSA-N	-1	0	272.326	0.631	20	30		CCEDRM
C=CCCN(C)C(=O)C(=O)N1CC[C@H](C(=O)[O-])[C@H](C)C1	ZINC000629773140	369772820	/nfs/dbraw/zinc/77/28/20/369772820.db2.gz	ASCSVWNCLFAWBK-MNOVXSKESA-N	-1	0	282.340	0.590	20	30		CCEDRM
C=CCOC[C@@H](NC(=O)[C@H](OCC)C1CC1)C(=O)[O-]	ZINC000630186001	369996097	/nfs/dbraw/zinc/99/60/97/369996097.db2.gz	JRARDMOHMMGFRL-GHMZBOCLSA-N	-1	0	271.313	0.574	20	30		CCEDRM
C=CCOC[C@@H](NC(=O)COc1cccnc1)C(=O)[O-]	ZINC000630185797	369996241	/nfs/dbraw/zinc/99/62/41/369996241.db2.gz	GZWCSPPIAFTVIZ-LLVKDONJSA-N	-1	0	280.280	0.232	20	30		CCEDRM
C=CCOC[C@@H](NC(=O)[C@H](C)c1ccnn1C)C(=O)[O-]	ZINC000630187307	369996884	/nfs/dbraw/zinc/99/68/84/369996884.db2.gz	MTDMURHGPUSBSB-NXEZZACHSA-N	-1	0	281.312	0.296	20	30		CCEDRM
C=CCN(C(=O)Cn1cc(C(=O)[O-])cn1)[C@@H](C)COC	ZINC000630208967	370008992	/nfs/dbraw/zinc/00/89/92/370008992.db2.gz	WPCOAZHPNAEGRO-JTQLQIEISA-N	-1	0	281.312	0.631	20	30		CCEDRM
C=C(C)[C@H]1OCC[C@@H]1CNC(=O)Cn1cc(C(=O)[O-])nn1	ZINC000630302561	370037514	/nfs/dbraw/zinc/03/75/14/370037514.db2.gz	FHMQVCHMXKKBNK-BXKDBHETSA-N	-1	0	294.311	0.074	20	30		CCEDRM
C=C(C)[C@H]1OCC[C@H]1CNC(=O)Cn1cc(C(=O)[O-])nn1	ZINC000630302565	370037772	/nfs/dbraw/zinc/03/77/72/370037772.db2.gz	FHMQVCHMXKKBNK-JOYOIKCWSA-N	-1	0	294.311	0.074	20	30		CCEDRM
C=C(C)C[C@H](NC(=O)[C@@H](C)n1cccn1)C(=O)[O-]	ZINC000630317512	370044605	/nfs/dbraw/zinc/04/46/05/370044605.db2.gz	RBBPYBJBZHAZAH-ZJUUUORDSA-N	-1	0	251.286	0.980	20	30		CCEDRM
C=CCOC[C@@H](NC(=O)c1cnn(CC(C)C)c1)C(=O)[O-]	ZINC000630185598	369995244	/nfs/dbraw/zinc/99/52/44/369995244.db2.gz	DPCSRXJBIPBLAW-GFCCVEGCSA-N	-1	0	295.339	0.925	20	30		CCEDRM
C=CCCS(=O)(=O)N[C@@H](C(=O)[O-])[C@H]1CCCO1	ZINC000630423250	370107991	/nfs/dbraw/zinc/10/79/91/370107991.db2.gz	QPRVYVMWFFXWJK-RKDXNWHRSA-N	-1	0	263.315	0.114	20	30		CCEDRM
C=C(C)C[C@@H](NS(=O)(=O)C[C@H]1CCCCO1)C(=O)[O-]	ZINC000630438758	370117065	/nfs/dbraw/zinc/11/70/65/370117065.db2.gz	YQXURLLZHFESEA-GHMZBOCLSA-N	-1	0	291.369	0.894	20	30		CCEDRM
C=CCOCCNC(=O)N1C[C@H](OC)C[C@]1(C)C(=O)[O-]	ZINC000630480034	370130410	/nfs/dbraw/zinc/13/04/10/370130410.db2.gz	MBLFGADDOFQTDI-ZWNOBZJWSA-N	-1	0	286.328	0.463	20	30		CCEDRM
C=CCOCCNC(=O)N1C2CCC1(C(=O)[O-])CC2	ZINC000630479267	370130461	/nfs/dbraw/zinc/13/04/61/370130461.db2.gz	DBWQLZFVNURFTD-UHFFFAOYSA-N	-1	0	268.313	0.980	20	30		CCEDRM
CC(C)[C@H](CC(=O)[O-])NS(=O)(=O)N(C)CCC#N	ZINC000574379881	335014565	/nfs/dbraw/zinc/01/45/65/335014565.db2.gz	JBVYTQAAQZMGBJ-VIFPVBQESA-N	-1	0	277.346	0.166	20	30		CCEDRM
C=CCOC[C@H](NS(=O)(=O)CC1CCC1)C(=O)[O-]	ZINC000574450177	335020477	/nfs/dbraw/zinc/02/04/77/335020477.db2.gz	JXRNWZKKRJGUNW-JTQLQIEISA-N	-1	0	277.342	0.362	20	30		CCEDRM
C[C@@H](CN(C)S(=O)(=O)c1cncc(C#N)c1)C(=O)[O-]	ZINC000261667632	190042538	/nfs/dbraw/zinc/04/25/38/190042538.db2.gz	ZTQNHNMOAFLDEK-QMMMGPOBSA-N	-1	0	283.309	0.294	20	30		CCEDRM
N#Cc1ccc(S(=O)(=O)N[C@H]2C[C@H](C(=O)[O-])C2)cn1	ZINC000571874612	291842517	/nfs/dbraw/zinc/84/25/17/291842517.db2.gz	APCQLCBOOOPHIR-XWEPSHTISA-N	-1	0	281.293	0.095	20	30		CCEDRM
C=C[C@@H](CO)NS(=O)(=O)c1ccc(C)cc1F	ZINC000290261763	388902671	/nfs/dbraw/zinc/90/26/71/388902671.db2.gz	SQGLAOBSUJSVQS-VIFPVBQESA-N	-1	0	259.302	0.959	20	30		CCEDRM
C#CCO[N-]C(=O)[C@@H]1CN(Cc2ccccc2)CCO1	ZINC000291038794	388916718	/nfs/dbraw/zinc/91/67/18/388916718.db2.gz	GCCNZIKIUGRMNK-AWEZNQCLSA-N	-1	0	274.320	0.568	20	30		CCEDRM
C#CCO[N-]C(=O)[C@H](F)C1CN(C(=O)OC(C)(C)C)C1	ZINC000291374988	388922282	/nfs/dbraw/zinc/92/22/82/388922282.db2.gz	ZQEHSVFXBMAUHK-SNVBAGLBSA-N	-1	0	286.303	0.872	20	30		CCEDRM
N#Cc1ccc(C(=O)NCCn2cccn2)cc1O	ZINC000188353595	388925233	/nfs/dbraw/zinc/92/52/33/388925233.db2.gz	AAHVENLBKQDMBP-UHFFFAOYSA-N	-1	0	256.265	0.890	20	30		CCEDRM
C=CCOCC(=O)NCCCNC(=O)c1cccc(O)c1	ZINC000355685692	389111846	/nfs/dbraw/zinc/11/18/46/389111846.db2.gz	SFUIAVFOMGGONT-UHFFFAOYSA-N	-1	0	292.335	0.831	20	30		CCEDRM
Cn1cc(C#N)c(=NC(=O)[C@H]2CCCSC2)[n-]1	ZINC000329774113	389199418	/nfs/dbraw/zinc/19/94/18/389199418.db2.gz	LYLCUISSGDTOQO-QMMMGPOBSA-N	-1	0	250.327	0.795	20	30		CCEDRM
C=CCCN(C)C(=O)C(=O)N=c1ccc(OC(C)C)n[n-]1	ZINC000342244067	389202908	/nfs/dbraw/zinc/20/29/08/389202908.db2.gz	YVJQEHKJLSYMOX-UHFFFAOYSA-N	-1	0	292.339	0.659	20	30		CCEDRM
CC(C)n1cc(C#N)c(=NC(=O)[C@@H]2CCN(C)C(=O)C2)[n-]1	ZINC000330946718	389260378	/nfs/dbraw/zinc/26/03/78/389260378.db2.gz	HATBIGDPFQFJFJ-SNVBAGLBSA-N	-1	0	289.339	0.564	20	30		CCEDRM
CCCc1nc(=NC(=O)NCCNC(C)=O)s[n-]1	ZINC000330491890	389235518	/nfs/dbraw/zinc/23/55/18/389235518.db2.gz	PXXFBCBHEQVZKO-UHFFFAOYSA-N	-1	0	271.346	0.375	20	30		CCEDRM
C=CCNC(=O)c1cc(C)c2c(=O)[n-]c(=O)nc-2[nH]1	ZINC000154481286	389312870	/nfs/dbraw/zinc/31/28/70/389312870.db2.gz	OCLZBNFPPNUQBS-UHFFFAOYSA-N	-1	0	260.253	0.248	20	30		CCEDRM
C[C@H]1C[C@@H](C(=O)[N-]S(=O)(=O)c2cccc(C#N)c2)CO1	ZINC000408488993	389367890	/nfs/dbraw/zinc/36/78/90/389367890.db2.gz	OUZYYGGAIRCNIS-GXSJLCMTSA-N	-1	0	294.332	0.788	20	30		CCEDRM
Cn1c(C#N)ccc1C(=O)[N-]S(=O)(=O)C1CCC1	ZINC000408501019	389371151	/nfs/dbraw/zinc/37/11/51/389371151.db2.gz	XQHJDYZGEWOULC-UHFFFAOYSA-N	-1	0	267.310	0.509	20	30		CCEDRM
Cc1cccc2c1C[C@H](C(=O)N=c1[n-]n(C)cc1C#N)O2	ZINC000410538720	389385428	/nfs/dbraw/zinc/38/54/28/389385428.db2.gz	LVAAFFPAWZFTTJ-CYBMUJFWSA-N	-1	0	282.303	0.964	20	30		CCEDRM
Cc1cccc2c1C[C@@H](C(=O)N=c1[n-]n(C)cc1C#N)O2	ZINC000410538722	389385781	/nfs/dbraw/zinc/38/57/81/389385781.db2.gz	LVAAFFPAWZFTTJ-ZDUSSCGKSA-N	-1	0	282.303	0.964	20	30		CCEDRM
C=CCCn1cc(C(=O)N2CCC[C@@]2(C)C(=O)[O-])nn1	ZINC000425238365	389643274	/nfs/dbraw/zinc/64/32/74/389643274.db2.gz	IWHWDRROPXYSTD-ZDUSSCGKSA-N	-1	0	278.312	0.934	20	30		CCEDRM
C=CCCCCNC(=O)c1[nH]c(=O)[nH]c(=O)c1OC	ZINC000416209199	389719011	/nfs/dbraw/zinc/71/90/11/389719011.db2.gz	JDKRQZRYRXEFCR-UHFFFAOYSA-N	-1	0	267.285	0.983	20	30		CCEDRM
C=C[C@@H]1OCCC[C@H]1NS(=O)(=O)c1c(C)onc1N	ZINC000333655972	260051543	/nfs/dbraw/zinc/05/15/43/260051543.db2.gz	FVPLDQWZQKGCOZ-BDAKNGLRSA-N	-1	0	287.341	0.407	20	30		CCEDRM
C=CCNC(=O)CNC(=O)c1ccc([N+](=O)[O-])c([O-])c1	ZINC000181926407	389696764	/nfs/dbraw/zinc/69/67/64/389696764.db2.gz	KGGZUTSIGVUFDE-UHFFFAOYSA-N	-1	0	279.252	0.332	20	30		CCEDRM
N#Cc1ccc(NCCc2n[n-]c(=N)o2)c([N+](=O)[O-])c1	ZINC000436423125	389975665	/nfs/dbraw/zinc/97/56/65/389975665.db2.gz	QBWUEDCKLRUPBM-UHFFFAOYSA-N	-1	0	274.240	0.917	20	30		CCEDRM
Cc1oc(C#N)cc1C(=O)NCCCc1n[nH]c(=O)[n-]1	ZINC000437581345	389994635	/nfs/dbraw/zinc/99/46/35/389994635.db2.gz	RQKZBCOVZDNQIK-UHFFFAOYSA-N	-1	0	275.268	0.646	20	30		CCEDRM
C=CC[C@H](CC)NC(=O)C(=O)N1CC[C@](C)(C(=O)[O-])C1	ZINC000420568586	390013102	/nfs/dbraw/zinc/01/31/02/390013102.db2.gz	UYRVXFOZRHAKTL-HZMBPMFUSA-N	-1	0	282.340	0.781	20	30		CCEDRM
C#CCCS(=O)(=O)[N-]C(=O)/C=C/c1cnccc1C	ZINC000493213853	390120681	/nfs/dbraw/zinc/12/06/81/390120681.db2.gz	DZPKVLZICNUMAI-AATRIKPKSA-N	-1	0	278.333	0.873	20	30		CCEDRM
C#C[C@@H](NC(=O)c1c[n-]n2c1nccc2=O)C(C)(C)C	ZINC000491462332	390113634	/nfs/dbraw/zinc/11/36/34/390113634.db2.gz	IEZSXQQQCZFPAN-SNVBAGLBSA-N	-1	0	272.308	0.800	20	30		CCEDRM
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C=C(CNC(=O)c1n[nH]c(=O)[n-]c1=O)c1ccccc1	ZINC000644139362	390143137	/nfs/dbraw/zinc/14/31/37/390143137.db2.gz	IORNOFINQIXLIY-UHFFFAOYSA-N	-1	0	272.264	0.726	20	30		CCEDRM
C=CCOCC(=O)N(CCC(=O)[O-])C1CCOCC1	ZINC000647734156	390150810	/nfs/dbraw/zinc/15/08/10/390150810.db2.gz	VGFLRMKKDSEBRD-UHFFFAOYSA-N	-1	0	271.313	0.671	20	30		CCEDRM
C=CCn1cc(C(=O)N2CCC[C@]2(COC)C(=O)[O-])nn1	ZINC000647743106	390156231	/nfs/dbraw/zinc/15/62/31/390156231.db2.gz	YGLGMGOUFVZJEZ-ZDUSSCGKSA-N	-1	0	294.311	0.170	20	30		CCEDRM
C=CCOCCCC(=O)N[C@H](C(=O)[O-])c1ccnn1C	ZINC000647771764	390166912	/nfs/dbraw/zinc/16/69/12/390166912.db2.gz	TWCFKMLZWKYBTO-LBPRGKRZSA-N	-1	0	281.312	0.645	20	30		CCEDRM
C=CCN(CCc1ccco1)C(=O)c1n[nH]c(=O)[n-]1	ZINC000542777250	390269894	/nfs/dbraw/zinc/26/98/94/390269894.db2.gz	QMWHUXRWOYGNGI-UHFFFAOYSA-N	-1	0	262.269	0.974	20	30		CCEDRM
C=C[C@H](CCC(=O)[O-])NS(=O)(=O)C[C@H](C)COCC	ZINC000583875509	390320626	/nfs/dbraw/zinc/32/06/26/390320626.db2.gz	KGCNXNOLUXZGNL-GHMZBOCLSA-N	-1	0	293.385	0.998	20	30		CCEDRM
CC[C@H](C)[C@H](NC(=O)OC)C(=O)N=c1[nH][n-]c(C)c1C#N	ZINC000497197612	390436212	/nfs/dbraw/zinc/43/62/12/390436212.db2.gz	SZXJKVPPMKIEOL-XVKPBYJWSA-N	-1	0	293.327	0.721	20	30		CCEDRM
Cc1c(C#N)c(=NC(=O)[C@H]2CCC(=O)C[C@@H]2C)[n-]n1C	ZINC000648434305	390372503	/nfs/dbraw/zinc/37/25/03/390372503.db2.gz	FXDNXTGYZBLZRN-KWQFWETISA-N	-1	0	274.324	0.966	20	30		CCEDRM
C=CCC[C@@H](NS(=O)(=O)Cc1ccon1)C(=O)[O-]	ZINC000562321096	390488269	/nfs/dbraw/zinc/48/82/69/390488269.db2.gz	GWJMZAPYWXFKJP-SECBINFHSA-N	-1	0	274.298	0.513	20	30		CCEDRM
C=CC[C@H](CO)NC(=O)N=c1cc(C)c(C)n[n-]1	ZINC000561992822	390487815	/nfs/dbraw/zinc/48/78/15/390487815.db2.gz	HREVOVLCAZUOFE-SNVBAGLBSA-N	-1	0	250.302	0.574	20	30		CCEDRM
CCN(C[C@H](C)C#N)S(=O)(=O)N[C@H](C)[C@H](C)C(=O)[O-]	ZINC000520589707	390583739	/nfs/dbraw/zinc/58/37/39/390583739.db2.gz	DXRJNNYCUPXRPB-KXUCPTDWSA-N	-1	0	291.373	0.412	20	30		CCEDRM
C=CCCS(=O)(=O)NC1(C(=O)[O-])CCSCC1	ZINC000520806542	390589470	/nfs/dbraw/zinc/58/94/70/390589470.db2.gz	VQNVZAWGQNPDSG-UHFFFAOYSA-N	-1	0	279.383	0.832	20	30		CCEDRM
C=CCn1cc(C(=O)N2CCC3(C[C@H]3C(=O)[O-])CC2)nn1	ZINC000649240209	390532598	/nfs/dbraw/zinc/53/25/98/390532598.db2.gz	SUVYHNLEDSSLRV-JTQLQIEISA-N	-1	0	290.323	0.791	20	30		CCEDRM
C=CCn1cc(C(=O)N[C@@H](C)[C@@H](C)C(=O)[O-])nn1	ZINC000649249926	390537384	/nfs/dbraw/zinc/53/73/84/390537384.db2.gz	UXLYEDVTTBJTHQ-SFYZADRCSA-N	-1	0	252.274	0.303	20	30		CCEDRM
C=CCn1cc(C(=O)N[C@@H](CC(F)F)C(=O)[O-])nn1	ZINC000649251156	390538311	/nfs/dbraw/zinc/53/83/11/390538311.db2.gz	MMEBVNHWYDWOBH-LURJTMIESA-N	-1	0	274.227	0.302	20	30		CCEDRM
CO[C@@H](C)CS(=O)(=O)[N-]c1n[nH]c(C)c1C#N	ZINC000283857457	195931900	/nfs/dbraw/zinc/93/19/00/195931900.db2.gz	BAFRHTOKDPFAHB-LURJTMIESA-N	-1	0	258.303	0.366	20	30		CCEDRM
CCC(C#N)(CC)C(=O)[N-]S(=O)(=O)[C@H]1CCOC1	ZINC000528951957	390785399	/nfs/dbraw/zinc/78/53/99/390785399.db2.gz	YGVTXOPSXGZKIY-VIFPVBQESA-N	-1	0	274.342	0.551	20	30		CCEDRM
C=C[C@@H]1OCC[C@H]1CNC(=O)[C@H]1CC[C@H](C(=O)[O-])O1	ZINC000572713843	390798432	/nfs/dbraw/zinc/79/84/32/390798432.db2.gz	IEBUHEGMVZOTBO-UKKRHICBSA-N	-1	0	269.297	0.326	20	30		CCEDRM
C=CCCS(=O)(=O)N1CCC[C@@H]([C@H](O)C(=O)[O-])C1	ZINC000578293576	390875529	/nfs/dbraw/zinc/87/55/29/390875529.db2.gz	RAEUDYCSTALSNU-ZJUUUORDSA-N	-1	0	277.342	0.050	20	30		CCEDRM
C=CCn1cc(C(=O)N2CCC[C@@H](C(=O)[O-])C2)nn1	ZINC000647598306	390847919	/nfs/dbraw/zinc/84/79/19/390847919.db2.gz	KTHKWSRDYKQKFX-SECBINFHSA-N	-1	0	264.285	0.401	20	30		CCEDRM
CC(C)n1cc(C#N)c(=NC(=O)C(=O)N[C@H]2CC[C@H]2C)[n-]1	ZINC000357310011	144081301	/nfs/dbraw/zinc/08/13/01/144081301.db2.gz	NLTKMXXBMKYGCV-KOLCDFICSA-N	-1	0	289.339	0.611	20	30		CCEDRM
Cc1ccnc([N-]S(=O)(=O)c2cncc(C#N)c2)n1	ZINC000357394974	144087724	/nfs/dbraw/zinc/08/77/24/144087724.db2.gz	WGQQWRWZZBRPJV-UHFFFAOYSA-N	-1	0	275.293	0.853	20	30		CCEDRM
C=C(C)CS(=O)(=O)N1C[C@@H](C(=O)[O-])[C@H](C(F)F)C1	ZINC000650425112	397717931	/nfs/dbraw/zinc/71/79/31/397717931.db2.gz	WWZGNTOCBBDPDI-HTQZYQBOSA-N	-1	0	283.296	0.790	20	30		CCEDRM
C=CCCCS(=O)(=O)[N-]c1cncc(OC)n1	ZINC000650493210	397725076	/nfs/dbraw/zinc/72/50/76/397725076.db2.gz	OFKCRYMMCWGXHQ-UHFFFAOYSA-N	-1	0	257.315	0.615	20	30		CCEDRM
C=CCOC[C@H](NC(=O)[C@H]1CC[C@@H](OC)C1)C(=O)[O-]	ZINC000659155612	413317113	/nfs/dbraw/zinc/31/71/13/413317113.db2.gz	FEJHPQWXKZGIKM-AXFHLTTASA-N	-1	0	271.313	0.574	20	30		CCEDRM
CC#CC[C@H](NS(=O)(=O)N(C)CC(C)C)C(=O)[O-]	ZINC000541931389	411830687	/nfs/dbraw/zinc/83/06/87/411830687.db2.gz	WDTZDSDWCUEXJJ-JTQLQIEISA-N	-1	0	276.358	0.275	20	30		CCEDRM
C=CCOC[C@@H](NC(=O)CCn1cccc1)C(=O)[O-]	ZINC000653658615	412330778	/nfs/dbraw/zinc/33/07/78/412330778.db2.gz	ZVAHGQUSEJRVID-LLVKDONJSA-N	-1	0	266.297	0.650	20	30		CCEDRM
C=CCN(C(=O)NC[C@@H](C)C(=O)[O-])[C@H](C)COC	ZINC000659413696	413483059	/nfs/dbraw/zinc/48/30/59/413483059.db2.gz	XEXUCPWBDGGNHD-NXEZZACHSA-N	-1	0	258.318	0.940	20	30		CCEDRM
C=C[C@H](CCC(=O)[O-])NS(=O)(=O)CCOCC	ZINC000654787562	412438716	/nfs/dbraw/zinc/43/87/16/412438716.db2.gz	GVEQUNATQSFPMJ-SECBINFHSA-N	-1	0	265.331	0.362	20	30		CCEDRM
C=CCCOCCNC(=O)C(=O)NCC1(C(=O)[O-])CCC1	ZINC000659658637	413756452	/nfs/dbraw/zinc/75/64/52/413756452.db2.gz	PVUOUUCAWJIYIM-UHFFFAOYSA-N	-1	0	298.339	0.066	20	30		CCEDRM
C=CC[C@@H]1CCCN(C(=O)C(=O)NCCC(=O)[O-])C1	ZINC000659659294	413757196	/nfs/dbraw/zinc/75/71/96/413757196.db2.gz	RCSSDBZXINCSME-SNVBAGLBSA-N	-1	0	268.313	0.392	20	30		CCEDRM
C=CCCNC(=O)C(=O)NCC1(C(=O)[O-])CCC1	ZINC000659663385	413759915	/nfs/dbraw/zinc/75/99/15/413759915.db2.gz	KRVNDTZRDZVQFM-UHFFFAOYSA-N	-1	0	254.286	0.050	20	30		CCEDRM
C=CCC[C@H](NC(=O)NCCOCCF)C(=O)[O-]	ZINC000663273659	415032913	/nfs/dbraw/zinc/03/29/13/415032913.db2.gz	NARYYQBJZLWKOG-VIFPVBQESA-N	-1	0	262.281	0.691	20	30		CCEDRM
C=CCN(CC(=O)[O-])S(=O)(=O)c1c(C)n[nH]c1C	ZINC000076716221	177069156	/nfs/dbraw/zinc/06/91/56/177069156.db2.gz	YMWIRTPMMRQKDL-UHFFFAOYSA-N	-1	0	273.314	0.288	20	30		CCEDRM
CC[C@H](C)N(CC(=O)[O-])S(=O)(=O)N(C)CCC#N	ZINC000348966483	287585305	/nfs/dbraw/zinc/58/53/05/287585305.db2.gz	PEKXZYZRCZBBMM-VIFPVBQESA-N	-1	0	277.346	0.262	20	30		CCEDRM
C=CC[C@@H](NS(=O)(=O)N1CCC[C@@H](C)C1)C(=O)[O-]	ZINC000227520582	544836222	/nfs/dbraw/zinc/83/62/22/544836222.db2.gz	JQWZHQKBAWUFQI-NXEZZACHSA-N	-1	0	276.358	0.582	20	30		CCEDRM
C=CCCOCCNC(=O)N1CCO[C@H](C(=O)[O-])C1	ZINC000231835885	544860197	/nfs/dbraw/zinc/86/01/97/544860197.db2.gz	XYOSHMMEAITYEB-JTQLQIEISA-N	-1	0	272.301	0.074	20	30		CCEDRM
C=CCCCNC(=O)C(=O)N=c1[n-]n(C(C)C)cc1C#N	ZINC000448378438	261134176	/nfs/dbraw/zinc/13/41/76/261134176.db2.gz	YSCBLZITSFFMAO-UHFFFAOYSA-N	-1	0	289.339	0.778	20	30		CCEDRM
CC(C)(C)OC(=O)N1CC(C=Nn2c(=O)[n-][nH]c2=O)C1	ZINC000497270583	262129303	/nfs/dbraw/zinc/12/93/03/262129303.db2.gz	VERHWDMWEKVTAX-UHFFFAOYSA-N	-1	0	283.288	0.390	20	30		CCEDRM
COC[C@](C)(C#N)NC(=O)c1ccc([N+](=O)[O-])cc1[O-]	ZINC000274801466	263030606	/nfs/dbraw/zinc/03/06/06/263030606.db2.gz	NHJJSWJZTJHMIK-LBPRGKRZSA-N	-1	0	279.252	0.959	20	30		CCEDRM
Cc1c(CCC(=O)Nc2nc(C#N)c(C#N)[n-]2)cnn1C	ZINC000340507322	263179503	/nfs/dbraw/zinc/17/95/03/263179503.db2.gz	WZSICPFFIQQUQI-UHFFFAOYSA-N	-1	0	283.295	0.766	20	30		CCEDRM
CC[C@H](C)[C@@H](NS(=O)(=O)N(C)CCC#N)C(=O)[O-]	ZINC000340546173	263194772	/nfs/dbraw/zinc/19/47/72/263194772.db2.gz	YRTBGIKFSOHDAI-DTWKUNHWSA-N	-1	0	277.346	0.166	20	30		CCEDRM
C=CCOc1cccnc1C(=O)NCc1n[nH]c(=O)[n-]1	ZINC000341569799	263342059	/nfs/dbraw/zinc/34/20/59/263342059.db2.gz	ZZBZOMJRYDLPIQ-UHFFFAOYSA-N	-1	0	275.268	0.400	20	30		CCEDRM
COC[C@H]1CN(C([O-])=Nc2c(C)ccn(C)c2=O)CCO1	ZINC000330965326	264090700	/nfs/dbraw/zinc/09/07/00/264090700.db2.gz	CHMWLHWHTWWGMB-LLVKDONJSA-N	-1	0	295.339	0.586	20	30		CCEDRM
C[C@@H](O)CN(C(=O)N=c1cn[n-]s1)[C@H](C)CO	ZINC000331141716	264136492	/nfs/dbraw/zinc/13/64/92/264136492.db2.gz	FSIRKEGZTICZQP-RNFRBKRXSA-N	-1	0	260.319	0.147	20	30		CCEDRM
C=CC[C@H](NS(=O)(=O)N(CC)CC)C(=O)[O-]	ZINC000127538848	264256002	/nfs/dbraw/zinc/25/60/02/264256002.db2.gz	MXEACKMLDUUQPE-QMMMGPOBSA-N	-1	0	250.320	0.192	20	30		CCEDRM
C[C@H](CC#N)N(C)S(=O)(=O)N1CCC[C@H](C(=O)[O-])C1	ZINC000063088074	264620842	/nfs/dbraw/zinc/62/08/42/264620842.db2.gz	JNHYDKQYFYYHCQ-ZJUUUORDSA-N	-1	0	289.357	0.262	20	30		CCEDRM
C#CCO[N-]C(=O)[C@]1(C)Cc2ccccc2C(=O)O1	ZINC000291359730	264822933	/nfs/dbraw/zinc/82/29/33/264822933.db2.gz	YDGPIFGGRCYBIL-AWEZNQCLSA-N	-1	0	259.261	0.839	20	30		CCEDRM
C=CCC[C@H](NS(=O)(=O)C[C@H](C)COCC)C(=O)[O-]	ZINC000518973469	265266420	/nfs/dbraw/zinc/26/64/20/265266420.db2.gz	XVBUHTQWTCJMHB-MNOVXSKESA-N	-1	0	293.385	0.998	20	30		CCEDRM
N#CCC1(O)CN(C(=O)c2ccc([N+](=O)[O-])c([O-])c2)C1	ZINC000356559550	266137426	/nfs/dbraw/zinc/13/74/26/266137426.db2.gz	YAWQXMYJQOFOQC-UHFFFAOYSA-N	-1	0	277.236	0.401	20	30		CCEDRM
C=C[C@@H](CO)N=c1ccc(C(=O)NC2CCCC2)n[n-]1	ZINC000357590340	266331654	/nfs/dbraw/zinc/33/16/54/266331654.db2.gz	FIMSOGPHTXOAGF-JTQLQIEISA-N	-1	0	276.340	0.530	20	30		CCEDRM
CCCCCC(=O)N1CC(n2cc(C#N)c(=O)[n-]c2=O)C1	ZINC000530269072	267000207	/nfs/dbraw/zinc/00/02/07/267000207.db2.gz	ZWLNBHXKXREISZ-UHFFFAOYSA-N	-1	0	290.323	0.784	20	30		CCEDRM
CC[C@@H]1[C@H](C(=O)[O-])CCN1S(=O)(=O)CCCC#N	ZINC000376694349	268009189	/nfs/dbraw/zinc/00/91/89/268009189.db2.gz	ILGDMFHRVWHVIB-NXEZZACHSA-N	-1	0	274.342	0.805	20	30		CCEDRM
Cc1cc(=NC(=O)N2CCO[C@@H](C#N)C2)[n-]nc1C	ZINC000343562401	301045843	/nfs/dbraw/zinc/04/58/43/301045843.db2.gz	SFRPFPGNZZJPRV-JTQLQIEISA-N	-1	0	261.285	0.272	20	30		CCEDRM
C=C[C@@H](CCC(=O)[O-])NS(=O)(=O)CC(C)(C)OC	ZINC000568001212	328003856	/nfs/dbraw/zinc/00/38/56/328003856.db2.gz	RFHAOQCJFZNQHY-VIFPVBQESA-N	-1	0	279.358	0.750	20	30		CCEDRM
C=C(C)CN(Cc1ccc(CO)o1)C(=O)c1n[nH]c(=O)[n-]1	ZINC000563646573	328080746	/nfs/dbraw/zinc/08/07/46/328080746.db2.gz	RZTYAKXXGAFLOV-UHFFFAOYSA-N	-1	0	292.295	0.814	20	30		CCEDRM
C=CC[C@@H](NS(=O)(=O)c1cnn(C)c1C)C(=O)[O-]	ZINC000291823857	328121852	/nfs/dbraw/zinc/12/18/52/328121852.db2.gz	FIJKOBBMIKIGQN-MRVPVSSYSA-N	-1	0	273.314	0.036	20	30		CCEDRM
COCC[C@@H](NC(=O)C1(C#N)CCCC1)C(=O)[O-]	ZINC000262343279	328149609	/nfs/dbraw/zinc/14/96/09/328149609.db2.gz	XLJKMUOWQYKCMV-SECBINFHSA-N	-1	0	254.286	0.676	20	30		CCEDRM
CCC(=O)C[C@H](NS(=O)(=O)CC1(C#N)CC1)C(=O)[O-]	ZINC000274956647	328213945	/nfs/dbraw/zinc/21/39/45/328213945.db2.gz	HARBBYMFSJCRJS-VIFPVBQESA-N	-1	0	288.325	0.032	20	30		CCEDRM
COC(=O)NCC(=O)[N-]S(=O)(=O)c1cccc(C)c1	ZINC000048512194	328309280	/nfs/dbraw/zinc/30/92/80/328309280.db2.gz	LCILILPDAMORKH-UHFFFAOYSA-N	-1	0	286.309	0.996	20	30		CCEDRM
C[C@H](O)CCN(C)C([O-])=Nc1cccn(C)c1=O	ZINC000331013360	328473278	/nfs/dbraw/zinc/47/32/78/328473278.db2.gz	FVZRAWUGAHYTFN-VIFPVBQESA-N	-1	0	253.302	0.634	20	30		CCEDRM
C=CCCCS(=O)(=O)NC[C@H](CC(=O)[O-])OC	ZINC000557610543	327015920	/nfs/dbraw/zinc/01/59/20/327015920.db2.gz	HWMUNRSJESFERC-VIFPVBQESA-N	-1	0	265.331	0.362	20	30		CCEDRM
C=CCC[C@@H](NS(=O)(=O)N(C)CCC)C(=O)[O-]	ZINC000565985942	327102620	/nfs/dbraw/zinc/10/26/20/327102620.db2.gz	DTPRCKLITOTVRT-SECBINFHSA-N	-1	0	264.347	0.582	20	30		CCEDRM
C=CCCOCCNC(=O)C1(C(=O)[O-])CCOCC1	ZINC000569607869	327209850	/nfs/dbraw/zinc/20/98/50/327209850.db2.gz	WYROEPOXVOIYBT-UHFFFAOYSA-N	-1	0	271.313	0.577	20	30		CCEDRM
C=CCC[C@H](NS(=O)(=O)CC[C@@H]1CCOC1)C(=O)[O-]	ZINC000569683064	327534954	/nfs/dbraw/zinc/53/49/54/327534954.db2.gz	MKAAUHLKNKFPPQ-QWRGUYRKSA-N	-1	0	291.369	0.752	20	30		CCEDRM
N#CCCS(=O)(=O)N(CCC(=O)[O-])C1CCOCC1	ZINC000583565338	328616105	/nfs/dbraw/zinc/61/61/05/328616105.db2.gz	ZZJODEGQFHEVSU-UHFFFAOYSA-N	-1	0	290.341	0.186	20	30		CCEDRM
C=CCSCCNC(=O)N[C@](C)(COC)C(=O)[O-]	ZINC000392790497	329014321	/nfs/dbraw/zinc/01/43/21/329014321.db2.gz	FPJLAAXMPRODRE-LLVKDONJSA-N	-1	0	276.358	0.695	20	30		CCEDRM
C=CCSCCNC(=O)N[C@@](C)(COC)C(=O)[O-]	ZINC000392790499	329014405	/nfs/dbraw/zinc/01/44/05/329014405.db2.gz	FPJLAAXMPRODRE-NSHDSACASA-N	-1	0	276.358	0.695	20	30		CCEDRM
C=CCCC(=O)Nc1ccc(-n2nn[n-]c2=O)cc1	ZINC000188771573	329373045	/nfs/dbraw/zinc/37/30/45/329373045.db2.gz	WVPVHBROFAWXMI-UHFFFAOYSA-N	-1	0	259.269	0.860	20	30		CCEDRM
N#CC1(CS(=O)(=O)N2C[C@H]3C[C@@]3(C(=O)[O-])C2)CCCC1	ZINC000584502060	329503236	/nfs/dbraw/zinc/50/32/36/329503236.db2.gz	ICXGNXBIOGEWGG-ZWNOBZJWSA-N	-1	0	298.364	0.807	20	30		CCEDRM
C=C(CC)CNC(=O)C(=O)N(C)C[C@@H](C)C(=O)[O-]	ZINC000420589189	329778267	/nfs/dbraw/zinc/77/82/67/329778267.db2.gz	TZUKTPBNEQYMKT-SECBINFHSA-N	-1	0	256.302	0.248	20	30		CCEDRM
C=CCOCCCC(=O)N[C@]1(CC(=O)[O-])CCOC1	ZINC000263044221	330040420	/nfs/dbraw/zinc/04/04/20/330040420.db2.gz	RRHXSXGZUGAZIZ-ZDUSSCGKSA-N	-1	0	271.313	0.719	20	30		CCEDRM
C=CCOC[C@@H](NC(=O)C1(CCOC)CC1)C(=O)[O-]	ZINC000263120107	330044511	/nfs/dbraw/zinc/04/45/11/330044511.db2.gz	VFNANWWPTMXTNG-SNVBAGLBSA-N	-1	0	271.313	0.575	20	30		CCEDRM
C#C[C@H](NC(=O)N1C[C@H](C)C[C@@H](C(=O)[O-])C1)[C@@H]1CCCO1	ZINC000263132656	330045165	/nfs/dbraw/zinc/04/51/65/330045165.db2.gz	CZTQOWNAGYOSJH-NDBYEHHHSA-N	-1	0	294.351	0.919	20	30		CCEDRM
C=C[C@@H]1OCC[C@H]1NC(=O)N1CC[C@](C)(C(=O)[O-])C1	ZINC000263396197	330054041	/nfs/dbraw/zinc/05/40/41/330054041.db2.gz	RHXNFXJLMRPOPX-NRUUGDAUSA-N	-1	0	268.313	0.836	20	30		CCEDRM
C#C[C@H](NC(=O)N(C)CCC(=O)[O-])[C@H]1CCCO1	ZINC000263420662	330054189	/nfs/dbraw/zinc/05/41/89/330054189.db2.gz	WTWMIRRYHJUXSS-VHSXEESVSA-N	-1	0	254.286	0.283	20	30		CCEDRM
C#C[C@H](NC(=O)N1CC[C@H](C(=O)[O-])C1)[C@@H]1CCCO1	ZINC000263407434	330054346	/nfs/dbraw/zinc/05/43/46/330054346.db2.gz	UCKXIYXBUCMACJ-DCAQKATOSA-N	-1	0	266.297	0.283	20	30		CCEDRM
C=CCCCNC(=O)C(=O)N1C[C@H](C)C[C@H](C(=O)[O-])C1	ZINC000422698889	330150849	/nfs/dbraw/zinc/15/08/49/330150849.db2.gz	BQSUECYPKDUEKS-MNOVXSKESA-N	-1	0	282.340	0.638	20	30		CCEDRM
C=CCN(C(=O)C(=O)N1CC[C@@](C)(C(=O)[O-])C1)C1CC1	ZINC000422915397	330160409	/nfs/dbraw/zinc/16/04/09/330160409.db2.gz	XZZXFFSRUBVINU-CQSZACIVSA-N	-1	0	280.324	0.487	20	30		CCEDRM
CN(CC(C)(C)C#N)C(=O)C(=O)N1CC[C@@](C)(C(=O)[O-])C1	ZINC000422937550	330161498	/nfs/dbraw/zinc/16/14/98/330161498.db2.gz	OFKWWQLRQBWGAI-CQSZACIVSA-N	-1	0	295.339	0.318	20	30		CCEDRM
C=CCC1(C(=O)N2CCO[C@@H](C(=O)[O-])C2)CCOCC1	ZINC000424228961	330330805	/nfs/dbraw/zinc/33/08/05/330330805.db2.gz	VNJRUHCZGAILKO-LLVKDONJSA-N	-1	0	283.324	0.671	20	30		CCEDRM
C=C(C)CN(C)C(=O)C(=O)NCCC(C)(C)C(=O)[O-]	ZINC000424478649	330354770	/nfs/dbraw/zinc/35/47/70/330354770.db2.gz	GLEYKGVCMGUMKO-UHFFFAOYSA-N	-1	0	270.329	0.638	20	30		CCEDRM
C=CC(C)(C)CNS(=O)(=O)c1c(C)onc1N	ZINC000451814794	331043598	/nfs/dbraw/zinc/04/35/98/331043598.db2.gz	VDIVFUUTXYTRKY-UHFFFAOYSA-N	-1	0	259.331	0.886	20	30		CCEDRM
C=CCC[C@@H](CO)NC(=O)N=c1nc2ccccn2[n-]1	ZINC000455103686	331160778	/nfs/dbraw/zinc/16/07/78/331160778.db2.gz	LIWPIDVKSDFHGQ-JTQLQIEISA-N	-1	0	275.312	0.600	20	30		CCEDRM
C=CCOC[C@H](NC(=O)c1ccnc(C2CC2)n1)C(=O)[O-]	ZINC000455880216	331179450	/nfs/dbraw/zinc/17/94/50/331179450.db2.gz	REZPGBKLRDTELY-NSHDSACASA-N	-1	0	291.307	0.740	20	30		CCEDRM
COCCN(CC#N)C(=O)c1cccc([O-])c1[N+](=O)[O-]	ZINC000457198846	331215114	/nfs/dbraw/zinc/21/51/14/331215114.db2.gz	ANMXVICQWUWMEX-UHFFFAOYSA-N	-1	0	279.252	0.913	20	30		CCEDRM
C#C[C@@H](CC)NC(=O)N=c1[n-]nc(CCC(=O)OC)s1	ZINC000491221480	332169089	/nfs/dbraw/zinc/16/90/89/332169089.db2.gz	XAMZCVGBMRQNCO-QMMMGPOBSA-N	-1	0	296.352	0.599	20	30		CCEDRM
C#C[C@@H]1COCCN1C(=O)N=c1[n-]nc(C2CC2)s1	ZINC000491370915	332198548	/nfs/dbraw/zinc/19/85/48/332198548.db2.gz	BSYBKRPOUUDSLM-SECBINFHSA-N	-1	0	278.337	0.703	20	30		CCEDRM
C#C[C@H]1COCCN1C(=O)N=c1ccc(OC(C)C)n[n-]1	ZINC000491475234	332218554	/nfs/dbraw/zinc/21/85/54/332218554.db2.gz	UZMIYRFCQRGFIN-NSHDSACASA-N	-1	0	290.323	0.552	20	30		CCEDRM
C#C[C@@H]1COCCN1C(=O)NCCC(C)(C)C(=O)[O-]	ZINC000491665987	332274498	/nfs/dbraw/zinc/27/44/98/332274498.db2.gz	PXFUINJOSKZUGD-SNVBAGLBSA-N	-1	0	268.313	0.531	20	30		CCEDRM
C#CCN(C(=O)C(=O)NCCCC(=O)[O-])C1CCCC1	ZINC000491701971	332296088	/nfs/dbraw/zinc/29/60/88/332296088.db2.gz	FVRCKWSUXUMJPW-UHFFFAOYSA-N	-1	0	280.324	0.372	20	30		CCEDRM
C#CCN(C(=O)N=c1ccc(-c2ccnn2C)n[n-]1)C1CC1	ZINC000491719309	332307734	/nfs/dbraw/zinc/30/77/34/332307734.db2.gz	YTEDRCBKGJLRAR-UHFFFAOYSA-N	-1	0	296.334	0.929	20	30		CCEDRM
CC#CCS(=O)(=O)[N-]C(=O)/C=C\c1cncc(C)c1	ZINC000493020092	332423175	/nfs/dbraw/zinc/42/31/75/332423175.db2.gz	GSHXYLLVMNMBJE-WAYWQWQTSA-N	-1	0	278.333	0.873	20	30		CCEDRM
CC#CCS(=O)(=O)[N-]C(=O)/C=C\c1cnc(C)s1	ZINC000493200085	332430345	/nfs/dbraw/zinc/43/03/45/332430345.db2.gz	OBXAUVZDZDXTPM-WAYWQWQTSA-N	-1	0	284.362	0.934	20	30		CCEDRM
C#CCO[N-]C(=O)[C@@H](CC)NC(=O)OC(C)(C)C	ZINC000495989575	332535661	/nfs/dbraw/zinc/53/56/61/332535661.db2.gz	OCYMFDMZOMBQMR-SECBINFHSA-N	-1	0	256.302	0.971	20	30		CCEDRM
C[C@@H](C#N)CN(C)S(=O)(=O)NCCC[C@@H](C)C(=O)[O-]	ZINC000566313336	334642407	/nfs/dbraw/zinc/64/24/07/334642407.db2.gz	URDGAZQDFNQTCQ-VHSXEESVSA-N	-1	0	291.373	0.413	20	30		CCEDRM
C=CCC[C@H](NS(=O)(=O)c1cc(C)cnc1N)C(=O)[O-]	ZINC000516699040	333080983	/nfs/dbraw/zinc/08/09/83/333080983.db2.gz	HHMYKLCTMYBNGA-VIFPVBQESA-N	-1	0	299.352	0.670	20	30		CCEDRM
C=CCNC(=O)CNC(=O)NC[C@H](CC(C)C)C(=O)[O-]	ZINC000393816346	333414788	/nfs/dbraw/zinc/41/47/88/333414788.db2.gz	IELZLHDNPXCQAL-JTQLQIEISA-N	-1	0	285.344	0.335	20	30		CCEDRM
C=CCNc1ncc(C(=O)NCc2n[nH]c(=O)[n-]2)s1	ZINC000129574088	333777662	/nfs/dbraw/zinc/77/76/62/333777662.db2.gz	DIJSOSNLAKNVPU-UHFFFAOYSA-N	-1	0	280.313	0.082	20	30		CCEDRM
C=C[C@](C)(CC)C(=O)Nc1n[n-]c(S(C)(=O)=O)n1	ZINC000134995125	334111354	/nfs/dbraw/zinc/11/13/54/334111354.db2.gz	MTRBFWNGBQWBFP-SNVBAGLBSA-N	-1	0	272.330	0.749	20	30		CCEDRM
CC(C)[C@H](NS(=O)(=O)CC1(C#N)CC1)C(=O)[O-]	ZINC000547910338	334129121	/nfs/dbraw/zinc/12/91/21/334129121.db2.gz	DZQFUFSTSYVZJG-QMMMGPOBSA-N	-1	0	260.315	0.319	20	30		CCEDRM
N#CC1(CS(=O)(=O)N2C[C@@H]3CCC[C@@H]3[C@H]2C(=O)[O-])CC1	ZINC000548028000	334135644	/nfs/dbraw/zinc/13/56/44/334135644.db2.gz	KVENTBSFQYNVRU-DCAQKATOSA-N	-1	0	298.364	0.805	20	30		CCEDRM
C[C@H](CCC(=O)[O-])CNS(=O)(=O)N(C)CCC#N	ZINC000548219214	334146804	/nfs/dbraw/zinc/14/68/04/334146804.db2.gz	KLIGWDMAJZTYHE-SECBINFHSA-N	-1	0	277.346	0.167	20	30		CCEDRM
C[C@@H]([C@@H](NS(=O)(=O)CCCC#N)C(=O)[O-])C1CC1	ZINC000554676730	334445905	/nfs/dbraw/zinc/44/59/05/334445905.db2.gz	IKSKRFRSUOUPPK-PSASIEDQSA-N	-1	0	274.342	0.709	20	30		CCEDRM
C=C[C@H](CCC(=O)[O-])NS(=O)(=O)N(CC)CC1CC1	ZINC000576359017	335194243	/nfs/dbraw/zinc/19/42/43/335194243.db2.gz	KCETZRPJAKYRBE-LLVKDONJSA-N	-1	0	290.385	0.972	20	30		CCEDRM
C=CCOC[C@H](NS(=O)(=O)c1cccc(C)c1)C(=O)[O-]	ZINC000579588966	335814479	/nfs/dbraw/zinc/81/44/79/335814479.db2.gz	PSTSBQDOWILDMM-LBPRGKRZSA-N	-1	0	299.348	0.929	20	30		CCEDRM
C=CCCCS(=O)(=O)N1C[C@H]2C[C@@]2(C(=O)[O-])C1	ZINC000581108227	336009279	/nfs/dbraw/zinc/00/92/79/336009279.db2.gz	TYZYAMZSSWUWBK-MWLCHTKSSA-N	-1	0	259.327	0.689	20	30		CCEDRM
C#CCOCCC(=O)[N-]S(=O)(=O)CC(C)(C)C#N	ZINC000776146088	582054474	/nfs/dbraw/zinc/05/44/74/582054474.db2.gz	JUTGUWODBTVQOX-UHFFFAOYSA-N	-1	0	272.326	0.022	20	30		CCEDRM
O=C(N=c1cn[n-]s1)N1CCOC[C@@H]1[C@@H]1CCCO1	ZINC000329238246	534331413	/nfs/dbraw/zinc/33/14/13/534331413.db2.gz	KZBFJROVEDCMBC-BDAKNGLRSA-N	-1	0	284.341	0.963	20	30		CCEDRM
CC(C)n1cnc(S(=O)(=O)[N-]c2c(C#N)cnn2C)c1	ZINC000156280473	520051929	/nfs/dbraw/zinc/05/19/29/520051929.db2.gz	UKWNTRASICOVME-UHFFFAOYSA-N	-1	0	294.340	0.870	20	30		CCEDRM
COCC[C@H](NC(=O)COc1ccc(C#N)cc1)C(=O)[O-]	ZINC000052784756	521954981	/nfs/dbraw/zinc/95/49/81/521954981.db2.gz	PYXMXAPGGBRWKT-LBPRGKRZSA-N	-1	0	292.291	0.543	20	30		CCEDRM
CN(c1cccc(C#N)c1)S(=O)(=O)CCC(=O)[O-]	ZINC000061979946	523645195	/nfs/dbraw/zinc/64/51/95/523645195.db2.gz	XOQRPQLZIWSRTC-UHFFFAOYSA-N	-1	0	268.294	0.799	20	30		CCEDRM
C=CCNC(=O)c1ccccc1[N-]S(=O)(=O)CCOC	ZINC000110096647	526662158	/nfs/dbraw/zinc/66/21/58/526662158.db2.gz	DNGTULXRIPYVRQ-UHFFFAOYSA-N	-1	0	298.364	0.991	20	30		CCEDRM
CC(C)(C)CC[C@@H](NC(=O)Cn1cnc(C#N)n1)C(=O)[O-]	ZINC000449139937	527674661	/nfs/dbraw/zinc/67/46/61/527674661.db2.gz	BHKBOBDGWHWYEM-SECBINFHSA-N	-1	0	293.327	0.545	20	30		CCEDRM
C=CCCOCC(=O)NCCCc1n[nH]c(=O)[n-]1	ZINC000673943968	545296843	/nfs/dbraw/zinc/29/68/43/545296843.db2.gz	PZUBJGTUVDCGNP-UHFFFAOYSA-N	-1	0	254.290	0.152	20	30		CCEDRM
CC[C@@H]1CC[C@@H](C(=O)NCCc2n[n-]c(=N)o2)O1	ZINC000329115685	529333767	/nfs/dbraw/zinc/33/37/67/529333767.db2.gz	SXIPERLOMKLSFH-SFYZADRCSA-N	-1	0	254.290	0.939	20	30		CCEDRM
C=CCCOCC(=O)N1CCSC[C@@H]1CC(=O)[O-]	ZINC000678981322	545400764	/nfs/dbraw/zinc/40/07/64/545400764.db2.gz	SNYGRGPYWIFOFP-JTQLQIEISA-N	-1	0	273.354	0.998	20	30		CCEDRM
C#C[C@H](NS(=O)(=O)c1c[nH]c(C(=O)[O-])c1)C(C)C	ZINC000305964765	649891676	/nfs/dbraw/zinc/89/16/76/649891676.db2.gz	OYHGTYUADSAFBE-VIFPVBQESA-N	-1	0	270.310	0.649	20	30		CCEDRM
CC#CCS(=O)(=O)[N-]C(=O)c1cc(C(C)=O)cn1C	ZINC000791111672	581207718	/nfs/dbraw/zinc/20/77/18/581207718.db2.gz	WIGAFRWKOADDAA-UHFFFAOYSA-N	-1	0	282.321	0.311	20	30		CCEDRM
CCN(C[C@H](C)C#N)C(=O)[C@H]1CCN(C(=O)[O-])C1	ZINC000739404878	581132042	/nfs/dbraw/zinc/13/20/42/581132042.db2.gz	SQEHYTZSLJOGDB-ZJUUUORDSA-N	-1	0	253.302	0.994	20	30		CCEDRM
CC[C@H](NC(=O)[O-])C(=O)N[C@]1(C#N)CCSC1	ZINC000739531121	581160388	/nfs/dbraw/zinc/16/03/88/581160388.db2.gz	XZSDKCKUWABESY-XVKPBYJWSA-N	-1	0	257.315	0.548	20	30		CCEDRM
N#CC1(C(=O)Nc2n[nH]c(CC(=O)[O-])n2)CCCCC1	ZINC000739066775	581164256	/nfs/dbraw/zinc/16/42/56/581164256.db2.gz	QEMOQNVHOBVZEY-UHFFFAOYSA-N	-1	0	277.284	0.844	20	30		CCEDRM
N#Cc1nc(NC(=O)CCn2ccnc2)[n-]c1C#N	ZINC000725884087	581172227	/nfs/dbraw/zinc/17/22/27/581172227.db2.gz	UAQWOPUKQDTYFI-UHFFFAOYSA-N	-1	0	255.241	0.378	20	30		CCEDRM
N#CCN(CC(=O)[O-])C(=O)Cc1cnn(-c2ccccc2)c1	ZINC000739078742	581172235	/nfs/dbraw/zinc/17/22/35/581172235.db2.gz	MAVHRLYLWZKSEX-UHFFFAOYSA-N	-1	0	298.302	0.852	20	30		CCEDRM
C[C@@H]1CN=C(NN=Cc2ccc([N+](=O)[O-])c([O-])c2)N1	ZINC000779802279	581207026	/nfs/dbraw/zinc/20/70/26/581207026.db2.gz	FHMQJYSBRQSOLF-SSDOTTSWSA-N	-1	0	263.257	0.572	20	30		CCEDRM
COCCNC(=O)C(C#N)=C([O-])c1cn(C(C)(C)C)nn1	ZINC000791771451	581233346	/nfs/dbraw/zinc/23/33/46/581233346.db2.gz	NAOAURUCXISRJW-VIFPVBQESA-N	-1	0	293.327	0.118	20	30		CCEDRM
COc1cncc(C(=O)[N-]S(=O)(=O)CC(C)(C)C#N)n1	ZINC000791865754	581237585	/nfs/dbraw/zinc/23/75/85/581237585.db2.gz	IQBDGGJXNFQHAF-UHFFFAOYSA-N	-1	0	298.324	0.095	20	30		CCEDRM
C#CCN1CCN(C(=O)c2csc(=O)[nH]2)CC1	ZINC000792170861	581250592	/nfs/dbraw/zinc/25/05/92/581250592.db2.gz	HJQFPDFGMBJVRE-UHFFFAOYSA-N	-1	0	251.311	0.240	20	30		CCEDRM
N#Cc1ccc(C(=O)[N-]S(=O)(=O)C[C@@H]2CCCO2)cn1	ZINC000781507890	581270879	/nfs/dbraw/zinc/27/08/79/581270879.db2.gz	NACAZHDGRINKOW-NSHDSACASA-N	-1	0	295.320	0.192	20	30		CCEDRM
CCCn1cc(C([O-])=C(C#N)C(=O)NCCOC)cn1	ZINC000781763686	581276817	/nfs/dbraw/zinc/27/68/17/581276817.db2.gz	XVAINAPOGLZLAC-LLVKDONJSA-N	-1	0	278.312	0.378	20	30		CCEDRM
CC[C@@H](NN=Cc1cnc(C2OCCO2)s1)C(=O)[O-]	ZINC000793072935	581283694	/nfs/dbraw/zinc/28/36/94/581283694.db2.gz	WWFYZWQVOMLPEW-MRVPVSSYSA-N	-1	0	285.325	0.975	20	30		CCEDRM
CC[C@H](NN=Cc1ccnn1CCCOC)C(=O)[O-]	ZINC000793073296	581283735	/nfs/dbraw/zinc/28/37/35/581283735.db2.gz	RSDAZFKSXNVHAA-NSHDSACASA-N	-1	0	268.317	0.706	20	30		CCEDRM
CC[C@@H](NN=Cc1cn(C(C)(C)C)nn1)C(=O)[O-]	ZINC000793073118	581283744	/nfs/dbraw/zinc/28/37/44/581283744.db2.gz	YRPLTLBWAWHVEH-SECBINFHSA-N	-1	0	253.306	0.820	20	30		CCEDRM
CC[C@@H](NN=C1c2ccccc2N(C)C1=O)C(=O)[O-]	ZINC000793071406	581283811	/nfs/dbraw/zinc/28/38/11/581283811.db2.gz	FCIZKKIKXVREEW-SECBINFHSA-N	-1	0	261.281	0.820	20	30		CCEDRM
Cn1ncc(C([O-])=C(C#N)C(=O)NC2CCCC2)n1	ZINC000793122171	581284532	/nfs/dbraw/zinc/28/45/32/581284532.db2.gz	QNNUSWONPFNZDL-SECBINFHSA-N	-1	0	261.285	0.196	20	30		CCEDRM
CNC(=O)C(C#N)=C([O-])c1cccc(-c2nc[nH]n2)c1	ZINC000793126239	581284820	/nfs/dbraw/zinc/28/48/20/581284820.db2.gz	RRPKVYRTHNWLTQ-SNVBAGLBSA-N	-1	0	269.264	0.540	20	30		CCEDRM
C[C@H]1C(=O)CC[C@H]1CC(=O)[N-]S(=O)(=O)CC1(C#N)CC1	ZINC000793195430	581287798	/nfs/dbraw/zinc/28/77/98/581287798.db2.gz	LWMQQYMKIYUFFL-ZJUUUORDSA-N	-1	0	298.364	0.741	20	30		CCEDRM
N#CC1(CS(=O)(=O)[N-]C(=O)[C@@H]2C[C@@]23CCOC3)CC1	ZINC000793194676	581287800	/nfs/dbraw/zinc/28/78/00/581287800.db2.gz	URZKPIPFSGYDMT-JOYOIKCWSA-N	-1	0	284.337	0.163	20	30		CCEDRM
C[C@H](CO)NN=Cc1ccc(O[C@@H](C)C(=O)[O-])cc1	ZINC000794916122	581315276	/nfs/dbraw/zinc/31/52/76/581315276.db2.gz	RXURKTBYYNIIJO-ZJUUUORDSA-N	-1	0	266.297	0.843	20	30		CCEDRM
C=CCOCC(=O)[N-]S(=O)(=O)c1ccnc(Cl)c1	ZINC000782639515	581316625	/nfs/dbraw/zinc/31/66/25/581316625.db2.gz	HMXVPURKXBIPFF-UHFFFAOYSA-N	-1	0	290.728	0.743	20	30		CCEDRM
O=C([O-])Cn1cc(CN=Nc2cccc(F)n2)nn1	ZINC000795006049	581319302	/nfs/dbraw/zinc/31/93/02/581319302.db2.gz	CIIQBBZJKHJRHF-UHFFFAOYSA-N	-1	0	264.220	0.343	20	30		CCEDRM
N#C[C@@H]1CN(C(=O)c2ccc(NC(=O)[O-])cc2O)CCO1	ZINC000740307142	581323196	/nfs/dbraw/zinc/32/31/96/581323196.db2.gz	ORQPFZXTNRZBGJ-SECBINFHSA-N	-1	0	291.263	0.847	20	30		CCEDRM
C#CCCNC(=O)c1csc(CNC(=O)[O-])n1	ZINC000738457761	581331876	/nfs/dbraw/zinc/33/18/76/581331876.db2.gz	WNSCFMJXZYMPRY-UHFFFAOYSA-N	-1	0	253.283	0.664	20	30		CCEDRM
C#CCN1CCN(C(=O)[C@H]2CCC[C@H](NC(=O)[O-])C2)CC1	ZINC000738459644	581333338	/nfs/dbraw/zinc/33/33/38/581333338.db2.gz	BKOYJEXPMULXIU-STQMWFEESA-N	-1	0	293.367	0.590	20	30		CCEDRM
C#CCOc1ccccc1CNC(=O)[C@@H](C)NC(=O)[O-]	ZINC000738471065	581344320	/nfs/dbraw/zinc/34/43/20/581344320.db2.gz	VTBFZJIZCWCAAI-SNVBAGLBSA-N	-1	0	276.292	0.971	20	30		CCEDRM
C=C(Br)CNC(=O)[C@@H]1C[C@H](O)CN1C(=O)[O-]	ZINC000738470690	581344451	/nfs/dbraw/zinc/34/44/51/581344451.db2.gz	LXFLBHMOHWPMQL-BQBZGAKWSA-N	-1	0	293.117	0.124	20	30		CCEDRM
C[C@H]1C[C@@H](C(=O)[N-]S(=O)(=O)CCCC#N)CCC1=O	ZINC000783430322	581346919	/nfs/dbraw/zinc/34/69/19/581346919.db2.gz	SGGWLNAQFRCMBZ-UWVGGRQHSA-N	-1	0	286.353	0.741	20	30		CCEDRM
C=CCCC(=O)N(C)CCN1CCN(C(=O)[O-])CC1	ZINC000738488280	581358023	/nfs/dbraw/zinc/35/80/23/581358023.db2.gz	HVTOEDAPHDWFRU-UHFFFAOYSA-N	-1	0	269.345	0.707	20	30		CCEDRM
C=CCCCN(C)C(=O)NCCN1CCN(C(=O)[O-])CC1	ZINC000738493421	581361491	/nfs/dbraw/zinc/36/14/91/581361491.db2.gz	NKHKKARNFMGZFU-UHFFFAOYSA-N	-1	0	298.387	0.890	20	30		CCEDRM
O=C([O-])N1CC(=NNC(=S)NCC(F)(F)F)C1	ZINC000740488190	581361501	/nfs/dbraw/zinc/36/15/01/581361501.db2.gz	HNAYYTAXKPLGDS-UHFFFAOYSA-N	-1	0	270.236	0.362	20	30		CCEDRM
C[C@@H]1COC(=O)C1=N[N-]c1cc(Cl)nc(N)n1	ZINC000794927689	581391505	/nfs/dbraw/zinc/39/15/05/581391505.db2.gz	PMCAQSAENDOUAE-SCSAIBSYSA-N	-1	0	255.665	0.673	20	30		CCEDRM
C[C@@H]1COC(=O)C1=NN=c1ccc(-n2ccnc2)n[n-]1	ZINC000794940713	581391515	/nfs/dbraw/zinc/39/15/15/581391515.db2.gz	ZIXFHQKXTIHPLL-MRVPVSSYSA-N	-1	0	272.268	0.623	20	30		CCEDRM
N#Cc1cccc(S(=O)(=O)[N-]C(=O)COC(F)F)c1	ZINC000796744369	581449440	/nfs/dbraw/zinc/44/94/40/581449440.db2.gz	MMNPKJTXEZSRQL-UHFFFAOYSA-N	-1	0	290.247	0.602	20	30		CCEDRM
COCCNC(=O)C(C#N)=C([O-])c1ccc(C#N)o1	ZINC000796750018	581449823	/nfs/dbraw/zinc/44/98/23/581449823.db2.gz	YWVKMWMLOWAYIN-SECBINFHSA-N	-1	0	261.237	0.236	20	30		CCEDRM
Cn1ccc(CCC(=O)C(C#N)=C([O-])c2nccn2C)n1	ZINC000796979889	581456920	/nfs/dbraw/zinc/45/69/20/581456920.db2.gz	CSHXOSDPPUREFR-NSHDSACASA-N	-1	0	285.307	0.678	20	30		CCEDRM
C=CCS(=O)(=O)[N-]C(=O)c1cn(C(C)C)nn1	ZINC000796996474	581457324	/nfs/dbraw/zinc/45/73/24/581457324.db2.gz	NGJWSWIESKHQFK-UHFFFAOYSA-N	-1	0	258.303	0.105	20	30		CCEDRM
N#Cc1ccc(C(=O)[N-]S(=O)(=O)C[C@@H]2CCCO2)o1	ZINC000797056480	581458625	/nfs/dbraw/zinc/45/86/25/581458625.db2.gz	VMVCRQUCZJJZCT-VIFPVBQESA-N	-1	0	284.293	0.390	20	30		CCEDRM
N#Cc1ccc(N2CCC[C@@H]2C(=O)[N-]OCCO)cc1	ZINC000787294636	581465638	/nfs/dbraw/zinc/46/56/38/581465638.db2.gz	XDMSQRJMXPLAMM-CYBMUJFWSA-N	-1	0	275.308	0.567	20	30		CCEDRM
CCc1occc1C([O-])=C(C#N)C(=O)NCCOC	ZINC000797548521	581468306	/nfs/dbraw/zinc/46/83/06/581468306.db2.gz	GPERRRVIYBOYFJ-SNVBAGLBSA-N	-1	0	264.281	0.927	20	30		CCEDRM
Cn1nncc1[N-]S(=O)(=O)c1ccc(C#N)cc1	ZINC000788205953	581485292	/nfs/dbraw/zinc/48/52/92/581485292.db2.gz	RMKQNLCEAUGONI-UHFFFAOYSA-N	-1	0	263.282	0.488	20	30		CCEDRM
N#Cc1ccc(SCC(=O)NCC(=O)[O-])c(F)c1	ZINC000739132441	581509986	/nfs/dbraw/zinc/50/99/86/581509986.db2.gz	QUZKGDCEUCDPFJ-UHFFFAOYSA-N	-1	0	268.269	0.990	20	30		CCEDRM
N#Cc1ccccc1OCC(=O)[N-]S(=O)(=O)CC1CC1	ZINC000733704401	581519890	/nfs/dbraw/zinc/51/98/90/581519890.db2.gz	ZPGHYNYJRJAZDK-UHFFFAOYSA-N	-1	0	294.332	0.793	20	30		CCEDRM
CC[C@H](C#N)NC(=O)CN(C[C@H]1CCCO1)C(=O)[O-]	ZINC000739208170	581522949	/nfs/dbraw/zinc/52/29/49/581522949.db2.gz	KBPICTGONLEZTL-NXEZZACHSA-N	-1	0	269.301	0.564	20	30		CCEDRM
CC[C@@H](C#N)NC(=O)CN(C[C@H]1CCCO1)C(=O)[O-]	ZINC000739208172	581523085	/nfs/dbraw/zinc/52/30/85/581523085.db2.gz	KBPICTGONLEZTL-VHSXEESVSA-N	-1	0	269.301	0.564	20	30		CCEDRM
CC[C@H](C)[C@H](NC(=O)[O-])C(=O)NC1CCN(CC#N)CC1	ZINC000739225751	581524842	/nfs/dbraw/zinc/52/48/42/581524842.db2.gz	FOOXQMPNHLZUCQ-JQWIXIFHSA-N	-1	0	296.371	0.773	20	30		CCEDRM
CCC[C@](C)(NC(=O)[O-])C(=O)N1CCO[C@H](C#N)C1	ZINC000739282847	581530930	/nfs/dbraw/zinc/53/09/30/581530930.db2.gz	DYJGBSUYWSWVRP-SKDRFNHKSA-N	-1	0	269.301	0.564	20	30		CCEDRM
CCCCCNC(=S)NN=C1CN(C(=O)[O-])C1	ZINC000739326640	581537008	/nfs/dbraw/zinc/53/70/08/581537008.db2.gz	JXUBYNZGIRDJEL-UHFFFAOYSA-N	-1	0	258.347	0.990	20	30		CCEDRM
CCN(C[C@@H](C)C#N)C(=O)CN1CCN(C(=O)[O-])C[C@H]1C	ZINC000739402172	581547116	/nfs/dbraw/zinc/54/71/16/581547116.db2.gz	CTZFYHYDYBIFNJ-NWDGAFQWSA-N	-1	0	296.371	0.679	20	30		CCEDRM
C[C@@H](C#N)CN(C)C(=O)[C@H]1CSCN1C(=O)[O-]	ZINC000738596271	581576332	/nfs/dbraw/zinc/57/63/32/581576332.db2.gz	HRRIXFBOFARICI-JGVFFNPUSA-N	-1	0	257.315	0.657	20	30		CCEDRM
CN(CC#N)C(=O)[C@H](Cc1ccccc1)NC(=O)[O-]	ZINC000739617491	581581652	/nfs/dbraw/zinc/58/16/52/581581652.db2.gz	QXGUZASHOUEXQR-NSHDSACASA-N	-1	0	261.281	0.847	20	30		CCEDRM
CN(CCNC(=O)NCc1ccc(C#N)cc1)C(=O)[O-]	ZINC000739693571	581594493	/nfs/dbraw/zinc/59/44/93/581594493.db2.gz	VVADLNIFXBYIRE-UHFFFAOYSA-N	-1	0	276.296	0.967	20	30		CCEDRM
C=CCOCC(=O)OCC(=O)[N-]OCc1ccccc1	ZINC000729763223	581613177	/nfs/dbraw/zinc/61/31/77/581613177.db2.gz	MGEKLRIYOSAQPG-UHFFFAOYSA-N	-1	0	279.292	0.980	20	30		CCEDRM
COCCN(CC(=O)N(C)C[C@@H](C)C#N)C(=O)[O-]	ZINC000739811453	581622542	/nfs/dbraw/zinc/62/25/42/581622542.db2.gz	CVZRMESXYWNNSJ-VIFPVBQESA-N	-1	0	257.290	0.231	20	30		CCEDRM
N#CC(C(=O)NC1CC1)=C([O-])c1cnn2ccccc12	ZINC000735206453	581631975	/nfs/dbraw/zinc/63/19/75/581631975.db2.gz	KYMFLYXQIFTYRP-SNVBAGLBSA-N	-1	0	268.276	0.935	20	30		CCEDRM
CC#CCCCC(=O)[N-]S(=O)(=O)c1cnccn1	ZINC000767998768	581640476	/nfs/dbraw/zinc/64/04/76/581640476.db2.gz	ANECRRNRPXAUBV-UHFFFAOYSA-N	-1	0	267.310	0.475	20	30		CCEDRM
C=C(Br)Cn1c(N)nc(-c2nnn[n-]2)c1C#N	ZINC000735399033	581643644	/nfs/dbraw/zinc/64/36/44/581643644.db2.gz	ODCGMCSBZTWCEB-UHFFFAOYSA-N	-1	0	295.104	0.426	20	30		CCEDRM
Cc1nc(-c2nnn[n-]2)c(N=NC(C)[C@H]2CCOC2)o1	ZINC000735450865	581645896	/nfs/dbraw/zinc/64/58/96/581645896.db2.gz	HEWANTPQMSNJNM-QMMMGPOBSA-N	-1	0	277.288	0.987	20	30		CCEDRM
CC(C)C[C@H](CNC(=O)[O-])NS(=O)(=O)CCCC#N	ZINC000738811185	581659171	/nfs/dbraw/zinc/65/91/71/581659171.db2.gz	LQFMLVJLAQUBAX-SNVBAGLBSA-N	-1	0	291.373	0.892	20	30		CCEDRM
N#CCNC(=O)C1=NN(c2ccccc2)[C@@H](C(=O)[O-])C1	ZINC000740305230	581662394	/nfs/dbraw/zinc/66/23/94/581662394.db2.gz	IIORAAGFPUQZJS-LLVKDONJSA-N	-1	0	272.264	0.346	20	30		CCEDRM
N#C[C@@H]1CN(C[C@H]2CCCN(C(=O)[O-])C2)CCO1	ZINC000740308110	581663337	/nfs/dbraw/zinc/66/33/37/581663337.db2.gz	VYIUAVKPODQKKI-GHMZBOCLSA-N	-1	0	253.302	0.601	20	30		CCEDRM
N#CC1CCN(C(=O)[C@H]2CSCN2C(=O)[O-])CC1	ZINC000740308816	581663414	/nfs/dbraw/zinc/66/34/14/581663414.db2.gz	CJFMGCNMCBOCIP-SECBINFHSA-N	-1	0	269.326	0.801	20	30		CCEDRM
N#CCOc1cccc(NC(=O)COCCNC(=O)[O-])c1	ZINC000740311766	581664519	/nfs/dbraw/zinc/66/45/19/581664519.db2.gz	ZFYIWWKNNUDXQE-UHFFFAOYSA-N	-1	0	293.279	0.812	20	30		CCEDRM
N#Cc1ccccc1OCC(=O)N[C@@H]1CCN(C(=O)[O-])C1	ZINC000740323797	581665614	/nfs/dbraw/zinc/66/56/14/581665614.db2.gz	RTYRVHCNAAAWOH-LLVKDONJSA-N	-1	0	289.291	0.806	20	30		CCEDRM
N#Cc1cccc(OCC(=O)N2CC[C@@H](NC(=O)[O-])C2)c1	ZINC000740323776	581665884	/nfs/dbraw/zinc/66/58/84/581665884.db2.gz	VENSAKCFWDQSIP-LLVKDONJSA-N	-1	0	289.291	0.806	20	30		CCEDRM
N#Cc1ccccc1COC(=O)[C@H]1C[C@H](O)CN1C(=O)[O-]	ZINC000740323079	581666133	/nfs/dbraw/zinc/66/61/33/581666133.db2.gz	HPXBNIISCMPETJ-NWDGAFQWSA-N	-1	0	290.275	0.715	20	30		CCEDRM
C#CCOCCC(=O)N[C@H](c1nnn[n-]1)c1ccccc1	ZINC000756759985	581677355	/nfs/dbraw/zinc/67/73/55/581677355.db2.gz	VWGNDJOIVQOWGH-ZDUSSCGKSA-N	-1	0	285.307	0.445	20	30		CCEDRM
O=C([O-])N1CC(=NNC(=S)Nc2cccnc2)C1	ZINC000740488352	581686088	/nfs/dbraw/zinc/68/60/88/581686088.db2.gz	LOVDCKUFZPVWHT-UHFFFAOYSA-N	-1	0	265.298	0.718	20	30		CCEDRM
C#CCNC(=O)C1CCN(C(=O)C(C)(C)NC(=O)[O-])CC1	ZINC000736080696	581688224	/nfs/dbraw/zinc/68/82/24/581688224.db2.gz	WQRZALAJXFAUMI-UHFFFAOYSA-N	-1	0	295.339	0.021	20	30		CCEDRM
CNC(=O)C(C#N)=C([O-])c1cccc(NC(=O)N(C)C)c1	ZINC000740534869	581693107	/nfs/dbraw/zinc/69/31/07/581693107.db2.gz	ISKHUIJUYBOJFZ-LLVKDONJSA-N	-1	0	288.307	0.849	20	30		CCEDRM
C#CCCNC(=O)C(=O)Nc1cc(C(=O)[O-])c(F)cc1F	ZINC000736076176	581694360	/nfs/dbraw/zinc/69/43/60/581694360.db2.gz	BMMJPDNSGUFKRS-UHFFFAOYSA-N	-1	0	296.229	0.741	20	30		CCEDRM
C#CCNC(=O)c1ccc(N2CCN(C(=O)[O-])CC2)nc1	ZINC000736075683	581694781	/nfs/dbraw/zinc/69/47/81/581694781.db2.gz	BASWSJGNVLSQJB-UHFFFAOYSA-N	-1	0	288.307	0.245	20	30		CCEDRM
C=CCNC(=O)Cn1nnc(-c2ccc(C(=O)[O-])cc2)n1	ZINC000736105636	581697062	/nfs/dbraw/zinc/69/70/62/581697062.db2.gz	BQTKAGNPGPEDNC-UHFFFAOYSA-N	-1	0	287.279	0.341	20	30		CCEDRM
C=CCCOCC(=O)N[C@H]1CCCN(C(=O)[O-])C1	ZINC000736108527	581698132	/nfs/dbraw/zinc/69/81/32/581698132.db2.gz	XQWQGXFGENWOQO-JTQLQIEISA-N	-1	0	256.302	0.838	20	30		CCEDRM
C#CCSCCNC(=O)N[C@H]1CCCN(C(=O)[O-])C1	ZINC000736088061	581700288	/nfs/dbraw/zinc/70/02/88/581700288.db2.gz	RHRAWKDSTVEXBG-JTQLQIEISA-N	-1	0	285.369	0.794	20	30		CCEDRM
C#CCSCCNC(=O)CCCN(C)C(=O)[O-]	ZINC000736087310	581700627	/nfs/dbraw/zinc/70/06/27/581700627.db2.gz	GBUZIJCDCOJUMY-UHFFFAOYSA-N	-1	0	258.343	0.859	20	30		CCEDRM
C=CCOCC(=O)OCC(=O)NC1(C(=O)[O-])CCCCC1	ZINC000736109568	581700971	/nfs/dbraw/zinc/70/09/71/581700971.db2.gz	POJSYHLJOPXPGV-UHFFFAOYSA-N	-1	0	299.323	0.636	20	30		CCEDRM
C=C(C)CN(CC)C(=O)COC(=O)[C@H]1C[C@H]1C(=O)[O-]	ZINC000736095076	581701764	/nfs/dbraw/zinc/70/17/64/581701764.db2.gz	HLEDEYQBWQPBAT-ZJUUUORDSA-N	-1	0	269.297	0.675	20	30		CCEDRM
C[C@@H](C(=O)N(CC#N)CC(=O)[O-])N1CCc2ccccc21	ZINC000736201637	581714321	/nfs/dbraw/zinc/71/43/21/581714321.db2.gz	URRDWSXLAPNEDB-NSHDSACASA-N	-1	0	287.319	0.874	20	30		CCEDRM
C[C@H](C#N)C(=O)NC[C@H](Cc1ccc(O)cc1)C(=O)[O-]	ZINC000736203553	581715316	/nfs/dbraw/zinc/71/53/16/581715316.db2.gz	TZJUXJZGCJLJCC-KOLCDFICSA-N	-1	0	276.292	0.911	20	30		CCEDRM
CC(C)(C)c1noc(CCC(=O)N(CC#N)CC(=O)[O-])n1	ZINC000736307375	581735011	/nfs/dbraw/zinc/73/50/11/581735011.db2.gz	VUMULUHZEFPZDG-UHFFFAOYSA-N	-1	0	294.311	0.736	20	30		CCEDRM
CC(C)[C@@](C)(C#N)NC(=O)CN(C)C(C)(C)C(=O)[O-]	ZINC000736349742	581748668	/nfs/dbraw/zinc/74/86/68/581748668.db2.gz	NYALEZDYZXEWCL-CYBMUJFWSA-N	-1	0	269.345	0.836	20	30		CCEDRM
C#CCCCCNC(=O)c1[nH]c(=O)[nH]c(=O)c1N	ZINC000758627174	581759951	/nfs/dbraw/zinc/75/99/51/581759951.db2.gz	KLXCHQFRYYZWHX-UHFFFAOYSA-N	-1	0	250.258	0.003	20	30		CCEDRM
C#CC(=O)Nc1cc(S(=O)(=O)CC)ccc1[O-]	ZINC000770810738	581768437	/nfs/dbraw/zinc/76/84/37/581768437.db2.gz	VTTFTWLAAPVQMY-UHFFFAOYSA-N	-1	0	253.279	0.758	20	30		CCEDRM
CN(Cc1ccc(C#N)cc1)C(=O)c1cc(=O)[nH][n-]1	ZINC000731868639	581787332	/nfs/dbraw/zinc/78/73/32/581787332.db2.gz	NJPXZAHBKJUYDU-UHFFFAOYSA-N	-1	0	256.265	0.393	20	30		CCEDRM
N#CC1(CS(=O)(=O)[N-]C(=O)[C@@H]2CCSC2)CCC1	ZINC000771075806	581789624	/nfs/dbraw/zinc/78/96/24/581789624.db2.gz	AJYIIMIZBDAUEL-SECBINFHSA-N	-1	0	288.394	0.879	20	30		CCEDRM
Cc1ocnc1C(=O)[N-]S(=O)(=O)CC1(C#N)CCC1	ZINC000771077690	581790420	/nfs/dbraw/zinc/79/04/20/581790420.db2.gz	KSAOBXNSHNWFOH-UHFFFAOYSA-N	-1	0	283.309	0.737	20	30		CCEDRM
Cc1nnc(NN=Cc2cccc3nccn32)[n-]c1=O	ZINC000771088338	581791161	/nfs/dbraw/zinc/79/11/61/581791161.db2.gz	KSFXHQYWTAFTOV-UHFFFAOYSA-N	-1	0	269.268	0.979	20	30		CCEDRM
CCc1nn(C)cc1C([O-])=C(C#N)C(=O)c1nccn1C	ZINC000771304024	581798102	/nfs/dbraw/zinc/79/81/02/581798102.db2.gz	YMEIVBNQIXTPGC-SECBINFHSA-N	-1	0	285.307	0.921	20	30		CCEDRM
COCCNC(=O)C(C#N)=C([O-])c1cncc(F)c1	ZINC000759538809	581804329	/nfs/dbraw/zinc/80/43/29/581804329.db2.gz	NIPJDICUWCXHAP-JTQLQIEISA-N	-1	0	265.244	0.306	20	30		CCEDRM
COCCS(=O)(=O)[N-]C(=O)c1ccccc1OCC#N	ZINC000732523625	581833400	/nfs/dbraw/zinc/83/34/00/581833400.db2.gz	RYITXRSOQQMENP-UHFFFAOYSA-N	-1	0	298.320	0.295	20	30		CCEDRM
C=CCCO[C@H](C)C(=O)[N-]S(=O)(=O)CC(F)(F)F	ZINC000744263291	581836938	/nfs/dbraw/zinc/83/69/38/581836938.db2.gz	HTROKXILVNJTGW-SSDOTTSWSA-N	-1	0	289.275	0.976	20	30		CCEDRM
CCS(=O)(=O)[N-]C(=O)[C@@H](C)Oc1ccccc1C#N	ZINC000732607674	581837542	/nfs/dbraw/zinc/83/75/42/581837542.db2.gz	MZVACWNRADBFLP-SECBINFHSA-N	-1	0	282.321	0.791	20	30		CCEDRM
CC[C@@H](C)[C@@H](NC(=O)CN(CC)CC#N)C(=O)[O-]	ZINC000736880689	581863685	/nfs/dbraw/zinc/86/36/85/581863685.db2.gz	ZFBRBGUCYIEAPL-MWLCHTKSSA-N	-1	0	255.318	0.447	20	30		CCEDRM
Cn1ccc(/C=C/C(=O)c2cnc([O-])n(C)c2=O)n1	ZINC000773152278	581879712	/nfs/dbraw/zinc/87/97/12/581879712.db2.gz	DJZOOVHUXHNFQB-ONEGZZNKSA-N	-1	0	260.253	0.116	20	30		CCEDRM
C=CCS(=O)(=O)[N-]C(=O)[C@H](C)NC(=O)C1CCCC1	ZINC000772710415	581885090	/nfs/dbraw/zinc/88/50/90/581885090.db2.gz	NAAMWSVWTXFOSY-VIFPVBQESA-N	-1	0	288.369	0.313	20	30		CCEDRM
C=CCS(=O)(=O)[N-]C(=O)CCNC(=O)CC(C)C	ZINC000772720418	581886692	/nfs/dbraw/zinc/88/66/92/581886692.db2.gz	LWSOXXAOPRFSBK-UHFFFAOYSA-N	-1	0	276.358	0.171	20	30		CCEDRM
CC(C)NC(=O)[C@H](C#N)C(=O)CC(C)(C)NC(=O)[O-]	ZINC000738854910	581899422	/nfs/dbraw/zinc/89/94/22/581899422.db2.gz	QKBRNZRRWGSASZ-MRVPVSSYSA-N	-1	0	269.301	0.656	20	30		CCEDRM
C#CCNC(=O)[C@@H](C)OC(=O)c1c(F)cc([O-])cc1F	ZINC000746987290	581930099	/nfs/dbraw/zinc/93/00/99/581930099.db2.gz	VAOJZQXKFWVMRV-SSDOTTSWSA-N	-1	0	283.230	0.965	20	30		CCEDRM
C=CCCOCC(=O)[N-]S(=O)(=O)C[C@H]1CCOC1	ZINC000762133521	581932524	/nfs/dbraw/zinc/93/25/24/581932524.db2.gz	PDDQJIVUPBOEKJ-JTQLQIEISA-N	-1	0	277.342	0.062	20	30		CCEDRM
C[C@H](C(=O)N(C)CCC#N)N1C[C@@H](C)N(C(=O)[O-])[C@@H](C)C1	ZINC000738602205	581940227	/nfs/dbraw/zinc/94/02/27/581940227.db2.gz	MQBLGQSNRGSWJN-GRYCIOLGSA-N	-1	0	296.371	0.820	20	30		CCEDRM
C#CCCCCC(=O)[N-]S(=O)(=O)[C@H]1CCOC1	ZINC000773778267	581941782	/nfs/dbraw/zinc/94/17/82/581941782.db2.gz	CXDMGTBZBBUUDB-JTQLQIEISA-N	-1	0	259.327	0.415	20	30		CCEDRM
C=CCNC(=O)C(C#N)=C([O-])c1cccc(-n2cccn2)n1	ZINC000737317330	581944596	/nfs/dbraw/zinc/94/45/96/581944596.db2.gz	WECJMMJNRCCAIF-LLVKDONJSA-N	-1	0	295.302	0.892	20	30		CCEDRM
N#CC(C(=O)NC1CC1)=C([O-])c1ccnc(-n2ccnc2)c1	ZINC000773979048	581951163	/nfs/dbraw/zinc/95/11/63/581951163.db2.gz	FOWDTTYWAZNXNY-GFCCVEGCSA-N	-1	0	295.302	0.868	20	30		CCEDRM
CN(CC(=O)NCc1ccc(OCC#N)cc1)C(=O)[O-]	ZINC000737393916	581951719	/nfs/dbraw/zinc/95/17/19/581951719.db2.gz	ULGCRIQOZVBDKJ-UHFFFAOYSA-N	-1	0	277.280	0.815	20	30		CCEDRM
CN(CC(=O)[O-])C(=O)CCN(CC#N)C1CCCC1	ZINC000737402082	581953061	/nfs/dbraw/zinc/95/30/61/581953061.db2.gz	AVENILDDUHFHJZ-UHFFFAOYSA-N	-1	0	267.329	0.688	20	30		CCEDRM
CN1CC[C@@H](N[C@H](C(=O)[O-])c2ccc(C#N)cc2)C1=O	ZINC000737514041	581970175	/nfs/dbraw/zinc/97/01/75/581970175.db2.gz	DBRCCEAHWSGACO-NEPJUHHUSA-N	-1	0	273.292	0.504	20	30		CCEDRM
C=CCN(CC(=O)[O-])C(=O)COC1CCOCC1	ZINC000737527546	581973125	/nfs/dbraw/zinc/97/31/25/581973125.db2.gz	XUGGHTCEMJQZMS-UHFFFAOYSA-N	-1	0	257.286	0.281	20	30		CCEDRM
COC(=O)CN(CC#N)C(=O)c1ccc(C(=O)[O-])s1	ZINC000737606338	581990142	/nfs/dbraw/zinc/99/01/42/581990142.db2.gz	YWUCRVWWMIBPSF-UHFFFAOYSA-N	-1	0	282.277	0.585	20	30		CCEDRM
COC(=O)Nc1ccc(C(=O)N(CC#N)CC(=O)[O-])cc1	ZINC000737641863	581996013	/nfs/dbraw/zinc/99/60/13/581996013.db2.gz	HQGTYWMJQVUAGC-UHFFFAOYSA-N	-1	0	291.263	0.915	20	30		CCEDRM
N#CCn1cc([N-]S(=O)(=O)c2cncc(F)c2)cn1	ZINC000749158703	581998008	/nfs/dbraw/zinc/99/80/08/581998008.db2.gz	XMZXOMMIVQEUQB-UHFFFAOYSA-N	-1	0	281.272	0.742	20	30		CCEDRM
Cc1[nH]nc(C(=O)N2CCN(C3CC3)[C@@H](C#N)C2)c1[O-]	ZINC000749245986	582000538	/nfs/dbraw/zinc/00/05/38/582000538.db2.gz	DJULRDVIASYZSN-JTQLQIEISA-N	-1	0	275.312	0.236	20	30		CCEDRM
N#Cc1cccc(CC(=O)OCc2n[nH]c(=O)[n-]2)c1	ZINC000774968187	582006577	/nfs/dbraw/zinc/00/65/77/582006577.db2.gz	SLUOXMQBHQRMEF-UHFFFAOYSA-N	-1	0	258.237	0.668	20	30		CCEDRM
N#Cc1ccc(C(=O)N2CCO[C@H](c3nnn[n-]3)C2)s1	ZINC000749386406	582006673	/nfs/dbraw/zinc/00/66/73/582006673.db2.gz	SLVIGXCZLYXLMY-QMMMGPOBSA-N	-1	0	290.308	0.347	20	30		CCEDRM
C[C@@H](C(=O)Nc1nc(C#N)c(C#N)[n-]1)N1CCSCC1	ZINC000763699876	582009755	/nfs/dbraw/zinc/00/97/55/582009755.db2.gz	FMMAOLXMUNQNNC-QMMMGPOBSA-N	-1	0	290.352	0.529	20	30		CCEDRM
Cc1[nH]c(C(=O)N2CCOC[C@@H]2C#N)c(C)c1C(=O)[O-]	ZINC000738158330	582025525	/nfs/dbraw/zinc/02/55/25/582025525.db2.gz	FRVOJXJOWRIJSQ-VIFPVBQESA-N	-1	0	277.280	0.694	20	30		CCEDRM
Cc1[nH]c(C(=O)N2CCO[C@@H](C#N)C2)c(C)c1C(=O)[O-]	ZINC000738162633	582025800	/nfs/dbraw/zinc/02/58/00/582025800.db2.gz	WYDHHUQNSVAFSE-VIFPVBQESA-N	-1	0	277.280	0.694	20	30		CCEDRM
Cn1ccnc1C([O-])=C(C#N)C(=O)[C@@H]1CCc2n[nH]cc2C1	ZINC000764044298	582028709	/nfs/dbraw/zinc/02/87/09/582028709.db2.gz	OPZUVBWFSIMIHH-MWLCHTKSSA-N	-1	0	297.318	0.840	20	30		CCEDRM
C=CCCO[C@H](C)C(=O)[N-]S(=O)(=O)C[C@@H](C)OC	ZINC000764187447	582034283	/nfs/dbraw/zinc/03/42/83/582034283.db2.gz	QTUCVCALLOCSNM-NXEZZACHSA-N	-1	0	279.358	0.449	20	30		CCEDRM
Cc1[nH]nc2nc(C)cc(C(=O)N(CC#N)CC(=O)[O-])c12	ZINC000738319433	582036423	/nfs/dbraw/zinc/03/64/23/582036423.db2.gz	JSYXDPBCNWJGFX-UHFFFAOYSA-N	-1	0	287.279	0.625	20	30		CCEDRM
CO[C@H](C)CS(=O)(=O)[N-]C(=O)c1ccc(C#N)cc1	ZINC000764206080	582036816	/nfs/dbraw/zinc/03/68/16/582036816.db2.gz	DJCIAKPGLQWEHJ-SECBINFHSA-N	-1	0	282.321	0.653	20	30		CCEDRM
N#C[C@@H]1CN(C(=O)[C@@H]2CCCN(C(=O)[O-])C2)CCO1	ZINC000738422935	582047829	/nfs/dbraw/zinc/04/78/29/582047829.db2.gz	NSZAXSYMCOWZEO-NXEZZACHSA-N	-1	0	267.285	0.127	20	30		CCEDRM
CCOC(=O)C(C)(C)C(=O)[N-]S(=O)(=O)CCCC#N	ZINC000776116269	582052439	/nfs/dbraw/zinc/05/24/39/582052439.db2.gz	NLHJFMAUYVMZBA-UHFFFAOYSA-N	-1	0	290.341	0.325	20	30		CCEDRM
CSC[C@H](C)C(=O)[N-]S(=O)(=O)CC(C)(C)C#N	ZINC000776138843	582053584	/nfs/dbraw/zinc/05/35/84/582053584.db2.gz	PYIOSGVHUKYPEF-QMMMGPOBSA-N	-1	0	278.399	0.981	20	30		CCEDRM
C=CCNC(=O)NC(=O)[C@H](C)N1CCCN(C(=O)[O-])CC1	ZINC000738496324	582056753	/nfs/dbraw/zinc/05/67/53/582056753.db2.gz	WFJFMPBHHXLAQB-JTQLQIEISA-N	-1	0	298.343	0.072	20	30		CCEDRM
C[C@@H](C#N)C(=O)N1CCC(CN(C)C(=O)[O-])CC1	ZINC000738596308	582064983	/nfs/dbraw/zinc/06/49/83/582064983.db2.gz	IEOIMZBJKUHGQQ-VIFPVBQESA-N	-1	0	253.302	0.994	20	30		CCEDRM
C[C@H](CC#N)N(C)C(=O)CN(C[C@@H]1CCCO1)C(=O)[O-]	ZINC000738890993	582085983	/nfs/dbraw/zinc/08/59/83/582085983.db2.gz	BIQCEDGUORYQSO-MNOVXSKESA-N	-1	0	283.328	0.906	20	30		CCEDRM
C[C@@H](CC#N)N(C)C(=O)CN(C[C@@H]1CCCO1)C(=O)[O-]	ZINC000738890995	582086172	/nfs/dbraw/zinc/08/61/72/582086172.db2.gz	BIQCEDGUORYQSO-QWRGUYRKSA-N	-1	0	283.328	0.906	20	30		CCEDRM
N#CCN(CC(=O)[O-])C(=O)CCOc1ccccc1	ZINC000739077783	582100508	/nfs/dbraw/zinc/10/05/08/582100508.db2.gz	SUWQOKDNVCZRMM-UHFFFAOYSA-N	-1	0	262.265	0.892	20	30		CCEDRM
N#C[C@H]1COCCN1Cn1ncc2cc(C(=O)[O-])ccc21	ZINC000739069582	582100573	/nfs/dbraw/zinc/10/05/73/582100573.db2.gz	SMBIVRQTGYEPPV-LBPRGKRZSA-N	-1	0	286.291	0.916	20	30		CCEDRM
N#CCCCS(=O)(=O)N1CCC2(C[C@H]2C(=O)[O-])CC1	ZINC000739073272	582100794	/nfs/dbraw/zinc/10/07/94/582100794.db2.gz	QXXINMPMFKXSPC-JTQLQIEISA-N	-1	0	286.353	0.807	20	30		CCEDRM
N#CCN(CC(=O)[O-])C(=O)[C@H]1CC(=O)N(C2CCCC2)C1	ZINC000739076465	582101470	/nfs/dbraw/zinc/10/14/70/582101470.db2.gz	WUYXSUIEQWXKMF-JTQLQIEISA-N	-1	0	293.323	0.214	20	30		CCEDRM
N#CCN(CC(=O)[O-])C(=O)CSC[C@H]1CCCCO1	ZINC000739078539	582101602	/nfs/dbraw/zinc/10/16/02/582101602.db2.gz	JBJQIZCZBOVOAS-SNVBAGLBSA-N	-1	0	286.353	0.725	20	30		CCEDRM
N#CCN(CC(=O)[O-])S(=O)(=O)c1cccnc1Cl	ZINC000739084994	582101856	/nfs/dbraw/zinc/10/18/56/582101856.db2.gz	ARVYPJUECUKGQX-UHFFFAOYSA-N	-1	0	289.700	0.334	20	30		CCEDRM
N#CCN(CC(=O)[O-])C(=O)c1ccc2c(c1)OCO2	ZINC000739085579	582101920	/nfs/dbraw/zinc/10/19/20/582101920.db2.gz	BPOFNTMEPCIQRP-UHFFFAOYSA-N	-1	0	262.221	0.466	20	30		CCEDRM
N#CCN(CC(=O)[O-])S(=O)(=O)/C=C\c1ccccc1	ZINC000739087085	582102127	/nfs/dbraw/zinc/10/21/27/582102127.db2.gz	UUUADZMHFVCADH-TWGQIWQCSA-N	-1	0	280.305	0.897	20	30		CCEDRM
N#Cc1ccc([C@@H](C(=O)[O-])N2CCCNC(=O)C2)cc1	ZINC000739105299	582102600	/nfs/dbraw/zinc/10/26/00/582102600.db2.gz	JWHVJNDCFFYDMB-ZDUSSCGKSA-N	-1	0	273.292	0.506	20	30		CCEDRM
N#Cc1ccc([C@H](OC(=O)[C@H]2C[C@@H]2C(=O)[O-])C(N)=O)cc1	ZINC000739110606	582103063	/nfs/dbraw/zinc/10/30/63/582103063.db2.gz	RPXMZJYYJADNBD-DCAQKATOSA-N	-1	0	288.259	0.349	20	30		CCEDRM
C=C(C)CS(=O)(=O)N[C@H](C[C@@H]1CCCO1)C(=O)[O-]	ZINC000903029268	613354305	/nfs/dbraw/zinc/35/43/05/613354305.db2.gz	HQGGJEYHSQAENZ-VHSXEESVSA-N	-1	0	277.342	0.504	20	30		CCEDRM
C=C(C)[C@@H](CC(=O)N[C@@H](CCOC)C(=O)[O-])OCC	ZINC000909627977	613360226	/nfs/dbraw/zinc/36/02/26/613360226.db2.gz	WVQSSSIECXJWIK-WDEREUQCSA-N	-1	0	273.329	0.964	20	30		CCEDRM
CCC(C#N)(CC)C(=O)[N-]S(=O)(=O)N(C)CCOC	ZINC000860598771	614470860	/nfs/dbraw/zinc/47/08/60/614470860.db2.gz	ROFYNLNROXJKCU-UHFFFAOYSA-N	-1	0	291.373	0.256	20	30		CCEDRM
C[C@](C#N)(NC(=O)CN1CC[C@@](F)(C(=O)[O-])C1)C1CC1	ZINC000825966975	601436818	/nfs/dbraw/zinc/43/68/18/601436818.db2.gz	PNVUJTQYDNSHDZ-OLZOCXBDSA-N	-1	0	283.303	0.293	20	30		CCEDRM
CC[C@H](NC(=O)[O-])C(=O)NC1(C#N)CCSCC1	ZINC000833864789	615804575	/nfs/dbraw/zinc/80/45/75/615804575.db2.gz	WJGYSGWIJXSIIM-QMMMGPOBSA-N	-1	0	271.342	0.938	20	30		CCEDRM
CC[S@@](C)(=O)=NS(=O)(=O)[N-]CC1(C#N)CC1	ZINC000867221621	616010463	/nfs/dbraw/zinc/01/04/63/616010463.db2.gz	BURMCTRHJFPXBL-OAHLLOKOSA-N	-1	0	265.360	0.242	20	30		CCEDRM
Cc1cc(C#N)ccc1C(=O)N1CCO[C@H](C(=O)[O-])C1	ZINC000820953963	597353978	/nfs/dbraw/zinc/35/39/78/597353978.db2.gz	JBKLXJADQXJDMT-LBPRGKRZSA-N	-1	0	274.276	0.792	20	30		CCEDRM
C[C@@H](C(=O)[O-])N(C)C(=O)CNc1ccc(C#N)cc1	ZINC000817753320	597465258	/nfs/dbraw/zinc/46/52/58/597465258.db2.gz	NFTGPAMRLGLOQV-VIFPVBQESA-N	-1	0	261.281	0.902	20	30		CCEDRM
C[C@@H](C(=O)[O-])N(C)CC(=O)N[C@@](C)(C#N)C1CC1	ZINC000817772227	597472753	/nfs/dbraw/zinc/47/27/53/597472753.db2.gz	MOVMAKQYDJDCQX-UFBFGSQYSA-N	-1	0	253.302	0.200	20	30		CCEDRM
Cc1cccc(NC(=O)C(=O)N[C@@H](C)C(=O)[O-])c1C#N	ZINC000818944433	597519604	/nfs/dbraw/zinc/51/96/04/597519604.db2.gz	VBMQTDVWVBHWMW-QMMMGPOBSA-N	-1	0	275.264	0.395	20	30		CCEDRM
C[C@@H]1COCCCN1C(=O)[C@](C)(C#N)CC(=O)[O-]	ZINC000820251672	597603161	/nfs/dbraw/zinc/60/31/61/597603161.db2.gz	DBJDYAJWXGOSJZ-SKDRFNHKSA-N	-1	0	254.286	0.628	20	30		CCEDRM
COc1cc(C(C)=NNCC(=O)[O-])c(OC)cc1O	ZINC000814958714	617173704	/nfs/dbraw/zinc/17/37/04/617173704.db2.gz	MESSZLJTWNBSTH-UHFFFAOYSA-N	-1	0	268.269	0.808	20	30		CCEDRM
C[C@@](C#N)(CC(=O)[O-])C(=O)OCc1cn2cccnc2n1	ZINC000819875139	597622371	/nfs/dbraw/zinc/62/23/71/597622371.db2.gz	UKBBWEJLGSYERU-ZDUSSCGKSA-N	-1	0	288.263	0.777	20	30		CCEDRM
C[C@](C#N)(CC(=O)[O-])C(=O)NC[C@H](O)c1ccc(F)cc1	ZINC000819834002	597632928	/nfs/dbraw/zinc/63/29/28/597632928.db2.gz	LJRZJTMDLXLACC-SMDDNHRTSA-N	-1	0	294.282	0.980	20	30		CCEDRM
C[C@@](C#N)(CC(=O)[O-])C(=O)NC[C@H](O)c1ccco1	ZINC000819835542	597633724	/nfs/dbraw/zinc/63/37/24/597633724.db2.gz	WIUBQDUZAFRZSX-UFBFGSQYSA-N	-1	0	266.253	0.434	20	30		CCEDRM
C[C@](C#N)(CC(=O)[O-])C(=O)NCCCNc1ncccn1	ZINC000819832584	597636207	/nfs/dbraw/zinc/63/62/07/597636207.db2.gz	BXZGTEVMKDBCTN-CYBMUJFWSA-N	-1	0	291.311	0.399	20	30		CCEDRM
C[C@@](C#N)(CC(=O)[O-])C(=O)NC[C@H](O)C(F)(F)F	ZINC000819834974	597652783	/nfs/dbraw/zinc/65/27/83/597652783.db2.gz	RJHLMFADUSMOCM-XNCJUZBTSA-N	-1	0	268.191	0.030	20	30		CCEDRM
C[C@](C#N)(CC(=O)[O-])C(=O)N1CC(OCC(F)F)C1	ZINC000819811370	597652810	/nfs/dbraw/zinc/65/28/10/597652810.db2.gz	NLGNUJHFSPBTIW-LLVKDONJSA-N	-1	0	276.239	0.483	20	30		CCEDRM
C[C@@](C#N)(CC(=O)[O-])C(=O)N[C@@H]1CCc2c[nH]nc2C1	ZINC000819835765	597655226	/nfs/dbraw/zinc/65/52/26/597655226.db2.gz	XQWLLACEMHFDKA-RNCFNFMXSA-N	-1	0	276.296	0.388	20	30		CCEDRM
C[C@@](C#N)(CC(=O)[O-])C(=O)NCc1ccn2ccnc2c1	ZINC000819847034	597656582	/nfs/dbraw/zinc/65/65/82/597656582.db2.gz	JLINVDKTSXMNRD-AWEZNQCLSA-N	-1	0	286.291	0.955	20	30		CCEDRM
C[C@@](C#N)(CC(=O)[O-])C(=O)N1CC2(CC(F)C2)C1	ZINC000819812413	597657918	/nfs/dbraw/zinc/65/79/18/597657918.db2.gz	ZUQMPOLEHXSDFW-NSHDSACASA-N	-1	0	254.261	0.951	20	30		CCEDRM
N#Cc1ccc([C@H](O)C(=O)N2CCC[C@H]2C(=O)[O-])cc1	ZINC000821330225	597670137	/nfs/dbraw/zinc/67/01/37/597670137.db2.gz	WXISFIBVPFYPFS-RYUDHWBXSA-N	-1	0	274.276	0.667	20	30		CCEDRM
Cc1ccccc1C=NOCC(=O)NCC(=O)[O-]	ZINC000821125410	597760590	/nfs/dbraw/zinc/76/05/90/597760590.db2.gz	KKRIYGQTFCVTTQ-UHFFFAOYSA-N	-1	0	250.254	0.546	20	30		CCEDRM
N#Cc1ccc2ncc(CN3CCO[C@@H](C(=O)[O-])C3)n2c1	ZINC000821335916	598124216	/nfs/dbraw/zinc/12/42/16/598124216.db2.gz	AYDSFKBCFDIBHR-GFCCVEGCSA-N	-1	0	286.291	0.491	20	30		CCEDRM
N#Cc1ccc(NC(=O)C(=O)NCCCCC(=O)[O-])cc1	ZINC000821335977	598171742	/nfs/dbraw/zinc/17/17/42/598171742.db2.gz	GJHFIHQHNCZDNR-UHFFFAOYSA-N	-1	0	289.291	0.868	20	30		CCEDRM
N#CCc1ccccc1CC(=O)N1CCO[C@@H](C(=O)[O-])C1	ZINC000821324883	598197946	/nfs/dbraw/zinc/19/79/46/598197946.db2.gz	VYDFQOSJZCDCKM-CYBMUJFWSA-N	-1	0	288.303	0.607	20	30		CCEDRM
Cc1onc(CC(=O)N2CCCC[C@@H]2C(=O)[O-])c1C#N	ZINC000821257103	598220757	/nfs/dbraw/zinc/22/07/57/598220757.db2.gz	ICRCGFIVQXBWDZ-LLVKDONJSA-N	-1	0	277.280	0.863	20	30		CCEDRM
C[C@@H]1CN(C(=O)[C@](C)(C#N)CC(=O)[O-])CCCO1	ZINC000820245562	598226651	/nfs/dbraw/zinc/22/66/51/598226651.db2.gz	OHIKKEAXSCNPQA-SKDRFNHKSA-N	-1	0	254.286	0.628	20	30		CCEDRM
C[C@H](NC(=O)[C@](C)(C#N)CC(=O)[O-])C(=O)OC1CCCC1	ZINC000820919972	598229679	/nfs/dbraw/zinc/22/96/79/598229679.db2.gz	FJMPICCFEAYJLM-XPTSAGLGSA-N	-1	0	296.323	0.981	20	30		CCEDRM
C#CCOCCOC(=O)CC1(NC(=O)[O-])CCC1	ZINC000823462954	612990339	/nfs/dbraw/zinc/99/03/39/612990339.db2.gz	HXEVUSCRCOEALZ-UHFFFAOYSA-N	-1	0	255.270	0.760	20	30		CCEDRM
C#CCO[C@@H](C)C(=O)N1CCSC[C@@H]1CC(=O)[O-]	ZINC000909011026	612995177	/nfs/dbraw/zinc/99/51/77/612995177.db2.gz	MQXJFHIPVSFLOE-UWVGGRQHSA-N	-1	0	271.338	0.443	20	30		CCEDRM
N#Cc1cccc(NS(=O)(=O)CCC(=O)[O-])c1	ZINC000019983259	599871017	/nfs/dbraw/zinc/87/10/17/599871017.db2.gz	VLNLTVFKOWCEOA-UHFFFAOYSA-N	-1	0	254.267	0.775	20	30		CCEDRM
N#C[C@H]1CN(C(=O)c2ccc(C(=O)[O-])s2)CCO1	ZINC000093937596	599953080	/nfs/dbraw/zinc/95/30/80/599953080.db2.gz	RNTHXSINYDVCOY-ZETCQYMHSA-N	-1	0	266.278	0.811	20	30		CCEDRM
N#C[C@H]1CN(S(=O)(=O)c2ccccc2C(=O)[O-])CCO1	ZINC000093932745	599981236	/nfs/dbraw/zinc/98/12/36/599981236.db2.gz	PHODSKIYPWBWTO-VIFPVBQESA-N	-1	0	296.304	0.298	20	30		CCEDRM
N#Cc1ccc(CN2C[C@H](O)C[C@H]2C(=O)[O-])c(F)c1	ZINC000229089132	600139947	/nfs/dbraw/zinc/13/99/47/600139947.db2.gz	AQYCNTNLEQTDJO-PWSUYJOCSA-N	-1	0	264.256	0.717	20	30		CCEDRM
N#CC1CCN(S(=O)(=O)CCCC(=O)[O-])CC1	ZINC000694509579	600496778	/nfs/dbraw/zinc/49/67/78/600496778.db2.gz	UBZHGWLVHDBKER-UHFFFAOYSA-N	-1	0	260.315	0.417	20	30		CCEDRM
N#CCSCC(=O)N(CC(=O)[O-])C1CCOCC1	ZINC000833067529	600956122	/nfs/dbraw/zinc/95/61/22/600956122.db2.gz	FJAJAHZKMPYMPD-UHFFFAOYSA-N	-1	0	272.326	0.335	20	30		CCEDRM
N#CCN(CC(=O)[O-])CC(=O)N1CCCc2ccccc21	ZINC000833066474	601003364	/nfs/dbraw/zinc/00/33/64/601003364.db2.gz	ZZXRKDXUHWVHGA-UHFFFAOYSA-N	-1	0	287.319	0.876	20	30		CCEDRM
Cc1ccc(CNC(=O)CN(CC#N)CC(=O)[O-])cc1	ZINC000832931800	601005046	/nfs/dbraw/zinc/00/50/46/601005046.db2.gz	PVFZGSIYXQITJE-UHFFFAOYSA-N	-1	0	275.308	0.521	20	30		CCEDRM
C#CCSCC(=O)[N-]S(=O)(=O)C1CCCC1	ZINC000892839242	613013036	/nfs/dbraw/zinc/01/30/36/613013036.db2.gz	HVGDGAHNVPPTPS-UHFFFAOYSA-N	-1	0	261.368	0.741	20	30		CCEDRM
C#CCSCC(=O)[N-]S(=O)(=O)N(C)CCC	ZINC000892848275	613013063	/nfs/dbraw/zinc/01/30/63/613013063.db2.gz	XJSXTFYZZSBLSG-UHFFFAOYSA-N	-1	0	264.372	0.056	20	30		CCEDRM
C#CCSCC(=O)[N-]S(=O)(=O)C[C@@H]1CCCOC1	ZINC000892997836	613013125	/nfs/dbraw/zinc/01/31/25/613013125.db2.gz	CTECMLKTDOKDHI-SNVBAGLBSA-N	-1	0	291.394	0.225	20	30		CCEDRM
Cc1cc(C)cc(OC[C@H](O)CN(CC#N)CC(=O)[O-])c1	ZINC000832879219	601242327	/nfs/dbraw/zinc/24/23/27/601242327.db2.gz	ZTVQVVHWLUWUHU-CYBMUJFWSA-N	-1	0	292.335	0.953	20	30		CCEDRM
Cn1ncc2c1ncnc2N=NCc1ccc(C(=O)[O-])[nH]1	ZINC000833063391	601337237	/nfs/dbraw/zinc/33/72/37/601337237.db2.gz	XHKLXXSJEOMWHR-UHFFFAOYSA-N	-1	0	285.267	0.836	20	30		CCEDRM
C#CCN(CC#C)S(=O)(=O)Cc1cccc(C(=O)[O-])c1	ZINC000688530080	601387003	/nfs/dbraw/zinc/38/70/03/601387003.db2.gz	UQUPFMCENKEISK-UHFFFAOYSA-N	-1	0	291.328	0.783	20	30		CCEDRM
N#CCNC(=O)CNc1cc(C(=O)[O-])c(F)cc1F	ZINC000833066978	601390681	/nfs/dbraw/zinc/39/06/81/601390681.db2.gz	MTLRAABVWKOIBV-UHFFFAOYSA-N	-1	0	269.207	0.715	20	30		CCEDRM
N#CCNC(=O)CN1C[C@H](C2CCCCC2)C[C@@H]1C(=O)[O-]	ZINC000833066610	601434399	/nfs/dbraw/zinc/43/43/99/601434399.db2.gz	CUILAGVRNSHIBH-CHWSQXEVSA-N	-1	0	293.367	0.982	20	30		CCEDRM
N#C[C@H]1COCCN1C(=O)c1cccc(OCC(=O)[O-])c1	ZINC000833063586	601439868	/nfs/dbraw/zinc/43/98/68/601439868.db2.gz	ZWTPYXBSECKLBD-NSHDSACASA-N	-1	0	290.275	0.515	20	30		CCEDRM
N#Cc1c[nH]c(C(=O)N(CCC(=O)[O-])C[C@@H]2CCCO2)c1	ZINC000833067972	601440619	/nfs/dbraw/zinc/44/06/19/601440619.db2.gz	KKQWFFVFBDBYHP-NSHDSACASA-N	-1	0	291.307	0.982	20	30		CCEDRM
C[C@@H](OC(=O)c1ccc(C#N)s1)C(=O)NCC(=O)[O-]	ZINC000827853487	601468875	/nfs/dbraw/zinc/46/88/75/601468875.db2.gz	LDQADOVSSOWHQE-ZCFIWIBFSA-N	-1	0	282.277	0.366	20	30		CCEDRM
N#C[C@H]1CCC[C@@H]1NS(=O)(=O)c1ccc(C(=O)[O-])o1	ZINC000061890055	601476742	/nfs/dbraw/zinc/47/67/42/601476742.db2.gz	URSJOFUFHJGBJV-SFYZADRCSA-N	-1	0	284.293	0.948	20	30		CCEDRM
C[C@@H](C#N)CN(C)S(=O)(=O)CC1(CC(=O)[O-])CC1	ZINC000825966721	601507150	/nfs/dbraw/zinc/50/71/50/601507150.db2.gz	LHQHWMGKYGAVNP-VIFPVBQESA-N	-1	0	274.342	0.663	20	30		CCEDRM
C[C@H](C#N)CNS(=O)(=O)CC1(CC(=O)[O-])CC1	ZINC000825966907	601518988	/nfs/dbraw/zinc/51/89/88/601518988.db2.gz	PDZLRJUPYNXGCK-MRVPVSSYSA-N	-1	0	260.315	0.320	20	30		CCEDRM
C#CCNC(=O)[C@@H](C)OC(=O)C1(NC(=O)[O-])CCCC1	ZINC000823455548	612948460	/nfs/dbraw/zinc/94/84/60/612948460.db2.gz	DUFFNHDXQFAOSQ-SECBINFHSA-N	-1	0	282.296	0.248	20	30		CCEDRM
N#CCN1C(=O)CN(c2cccc(C(=O)[O-])c2)C1=O	ZINC000133602552	601865263	/nfs/dbraw/zinc/86/52/63/601865263.db2.gz	BPQROWALCAEWJZ-UHFFFAOYSA-N	-1	0	259.221	0.677	20	30		CCEDRM
N#CCN(CC(=O)[O-])C(=O)[C@@H]1CCCc2n[nH]cc21	ZINC000833066298	602021399	/nfs/dbraw/zinc/02/13/99/602021399.db2.gz	SZMNNMRQPPVHRJ-MRVPVSSYSA-N	-1	0	262.269	0.266	20	30		CCEDRM
N#Cc1ccc([C@H](O)CN2CCOC[C@@H]2C(=O)[O-])cc1	ZINC000833072582	602048025	/nfs/dbraw/zinc/04/80/25/602048025.db2.gz	OGAKRBKYDBLRFZ-CHWSQXEVSA-N	-1	0	276.292	0.377	20	30		CCEDRM
N#Cc1ccnc(N2CCO[C@H](CC(=O)[O-])C2)c1[N+](=O)[O-]	ZINC000212858296	602129368	/nfs/dbraw/zinc/12/93/68/602129368.db2.gz	RXBAOOMZLSOGIR-SECBINFHSA-N	-1	0	292.251	0.541	20	30		CCEDRM
C[C@@H](CC(=O)N1CCN(C2CC2)[C@H](C#N)C1)NC(=O)[O-]	ZINC000824592156	602918685	/nfs/dbraw/zinc/91/86/85/602918685.db2.gz	SQUAIMVQZXROHR-GXSJLCMTSA-N	-1	0	280.328	0.231	20	30		CCEDRM
N#CCSCC(=O)N1CCC[C@@H]1CNC(=O)[O-]	ZINC000831109713	603102002	/nfs/dbraw/zinc/10/20/02/603102002.db2.gz	RISQBIPROPDJSW-MRVPVSSYSA-N	-1	0	257.315	0.502	20	30		CCEDRM
C#CCNC(=O)[C@H](C)OC(=O)[C@@H](NC(=O)[O-])[C@H](C)CC	ZINC000823456865	612950762	/nfs/dbraw/zinc/95/07/62/612950762.db2.gz	RBRGGMZZMUCLLM-UTLUCORTSA-N	-1	0	284.312	0.350	20	30		CCEDRM
C[C@H](CC(=O)NCCNc1ccc(C#N)cn1)NC(=O)[O-]	ZINC000824646636	603309646	/nfs/dbraw/zinc/30/96/46/603309646.db2.gz	MHDWNZVRCDGUQV-SECBINFHSA-N	-1	0	291.311	0.528	20	30		CCEDRM
C[C@H](CC#N)OC(=O)CN(C[C@H]1CCCO1)C(=O)[O-]	ZINC000824544529	603448017	/nfs/dbraw/zinc/44/80/17/603448017.db2.gz	RPOMXFUWXHHAAI-NXEZZACHSA-N	-1	0	270.285	0.991	20	30		CCEDRM
Cn1cc(C#N)cc1C(=O)N1CCC(NC(=O)[O-])CC1	ZINC000830984374	603529576	/nfs/dbraw/zinc/52/95/76/603529576.db2.gz	DLBPYVYRANWGFN-UHFFFAOYSA-N	-1	0	276.296	0.769	20	30		CCEDRM
N#C[C@@H]1CN(C(=O)[O-])CCN1C(=O)c1ccncc1	ZINC000831092343	603589821	/nfs/dbraw/zinc/58/98/21/603589821.db2.gz	ULUIBZLMDJBNMD-SNVBAGLBSA-N	-1	0	260.253	0.410	20	30		CCEDRM
Cc1c(C(=O)N2CCN(C(=O)[O-])C[C@H]2C#N)cnn1C	ZINC000829851170	603590913	/nfs/dbraw/zinc/59/09/13/603590913.db2.gz	YKFQOSPPYZXSHV-SECBINFHSA-N	-1	0	277.284	0.057	20	30		CCEDRM
Cc1cc(NC(=O)CN2CCN(C(=O)[O-])C[C@@H]2C#N)no1	ZINC000830103634	603727550	/nfs/dbraw/zinc/72/75/50/603727550.db2.gz	KZZHKTVFYPNHRT-VIFPVBQESA-N	-1	0	293.283	0.109	20	30		CCEDRM
C#Cc1cccc(N(C)C(=O)[C@@H]2C[C@@H](O)CN2C(=O)[O-])c1	ZINC000823466529	603748070	/nfs/dbraw/zinc/74/80/70/603748070.db2.gz	CUPQQCCNENMWSD-OLZOCXBDSA-N	-1	0	288.303	0.744	20	30		CCEDRM
N#CCN(C(=O)COC1CN(C(=O)[O-])C1)C1CCCC1	ZINC000831097854	603768568	/nfs/dbraw/zinc/76/85/68/603768568.db2.gz	WLKOAHGHIRZHHF-UHFFFAOYSA-N	-1	0	281.312	0.660	20	30		CCEDRM
C[C@@H](NC(=O)C(=O)Nc1ccc(F)cc1C#N)C(=O)[O-]	ZINC000818017703	617182260	/nfs/dbraw/zinc/18/22/60/617182260.db2.gz	DIZQQTXGTCGPHL-ZCFIWIBFSA-N	-1	0	279.227	0.225	20	30		CCEDRM
N#CC1(C(=O)O[C@H]2CN(C(=O)[O-])CCC2=O)CCC1	ZINC000831071043	603839626	/nfs/dbraw/zinc/83/96/26/603839626.db2.gz	XDWAVGQIMDMVQI-VIFPVBQESA-N	-1	0	266.253	0.545	20	30		CCEDRM
C[C@@H](CCNC(=O)c1cc(C#N)c[nH]1)NC(=O)[O-]	ZINC000824801190	603870204	/nfs/dbraw/zinc/87/02/04/603870204.db2.gz	ANRCCKVWBBMREC-ZETCQYMHSA-N	-1	0	250.258	0.662	20	30		CCEDRM
CC(C)(CCC(=O)N1CCOC[C@@H]1C#N)NC(=O)[O-]	ZINC000823885616	603922914	/nfs/dbraw/zinc/92/29/14/603922914.db2.gz	IUBOVYJUXQMHPM-VIFPVBQESA-N	-1	0	269.301	0.564	20	30		CCEDRM
N#Cc1cnccc1NC(=O)[C@@H]1CC[C@H](NC(=O)[O-])C1	ZINC000831161745	603984655	/nfs/dbraw/zinc/98/46/55/603984655.db2.gz	KSIRIKBRVGCKIF-SCZZXKLOSA-N	-1	0	274.280	0.750	20	30		CCEDRM
N#C[C@@H]1CN(C(=O)[O-])CCN1C(=O)C[C@@H]1CCCO1	ZINC000831082546	604067608	/nfs/dbraw/zinc/06/76/08/604067608.db2.gz	NMEWXLCEKGAIBP-ZJUUUORDSA-N	-1	0	267.285	0.270	20	30		CCEDRM
N#C[C@@H](NC(=O)[C@@H]1CN(C(=O)[O-])CCO1)C1CCCCC1	ZINC000831071118	604274281	/nfs/dbraw/zinc/27/42/81/604274281.db2.gz	YMBINKUWLGRSFJ-NEPJUHHUSA-N	-1	0	295.339	0.954	20	30		CCEDRM
N#CCN(CC(=O)[O-])C(=O)c1cccc2nccn21	ZINC000833065546	604433823	/nfs/dbraw/zinc/43/38/23/604433823.db2.gz	CSAFDYTUCSBOEX-UHFFFAOYSA-N	-1	0	258.237	0.385	20	30		CCEDRM
C[C@H](NC(=O)[O-])[C@@H]1CN(c2cccc(C#N)n2)CCO1	ZINC000825372625	604451961	/nfs/dbraw/zinc/45/19/61/604451961.db2.gz	PNKIWOZGVOXDJI-ONGXEEELSA-N	-1	0	276.296	0.815	20	30		CCEDRM
C[C@@H](NC(=O)[O-])[C@H]1CN(c2ncccc2C#N)CCO1	ZINC000825372214	604453042	/nfs/dbraw/zinc/45/30/42/604453042.db2.gz	LXOZMSDNNJIJEV-MWLCHTKSSA-N	-1	0	276.296	0.815	20	30		CCEDRM
C[C@@H](NC(=O)[O-])[C@H]1CN(c2ccc(C#N)cn2)CCO1	ZINC000825373384	604453186	/nfs/dbraw/zinc/45/31/86/604453186.db2.gz	XRKMMJFNRTUXGS-MWLCHTKSSA-N	-1	0	276.296	0.815	20	30		CCEDRM
N#CCc1ccnc(NC(=O)[C@H]2C[C@@H](O)CN2C(=O)[O-])c1	ZINC000831109434	604555045	/nfs/dbraw/zinc/55/50/45/604555045.db2.gz	JDZULTJLBOAYMA-NXEZZACHSA-N	-1	0	290.279	0.199	20	30		CCEDRM
N#Cc1cc([N+](=O)[O-])cnc1NC1CN(C(=O)[O-])C1	ZINC000831118150	604637718	/nfs/dbraw/zinc/63/77/18/604637718.db2.gz	OFMZQABISHJFBM-UHFFFAOYSA-N	-1	0	263.213	0.636	20	30		CCEDRM
N#CC1(NC(=O)[C@H]2CN(C(=O)[O-])CCO2)CCCCC1	ZINC000831070240	604799553	/nfs/dbraw/zinc/79/95/53/604799553.db2.gz	HQSIHULEQILXBG-SNVBAGLBSA-N	-1	0	281.312	0.708	20	30		CCEDRM
N#CC1(NC(=O)[C@H]2CN(C(=O)[O-])CCO2)CCCC1	ZINC000831070604	604837079	/nfs/dbraw/zinc/83/70/79/604837079.db2.gz	ORJNHYZLDALGEZ-SECBINFHSA-N	-1	0	267.285	0.318	20	30		CCEDRM
C[C@@H]1C[C@@H](C(=O)N(CC#N)CC(=O)[O-])CCC1=O	ZINC000833592765	604999663	/nfs/dbraw/zinc/99/96/63/604999663.db2.gz	OBQHNVZECZPBQE-BDAKNGLRSA-N	-1	0	252.270	0.428	20	30		CCEDRM
C=CCOc1ccc(C(=O)NC[C@H](O)C(=O)[O-])cc1OC	ZINC000833377604	605025279	/nfs/dbraw/zinc/02/52/79/605025279.db2.gz	DWHZLYWRVVYRKO-JTQLQIEISA-N	-1	0	295.291	0.435	20	30		CCEDRM
N#Cc1ccc(COC(=O)[C@@H]2CN(C(=O)[O-])CCO2)cc1	ZINC000831126591	605075364	/nfs/dbraw/zinc/07/53/64/605075364.db2.gz	LAFLUTWAEKPXRQ-LBPRGKRZSA-N	-1	0	290.275	0.980	20	30		CCEDRM
N#Cc1ccc(F)cc1Cn1nnnc1CNC(=O)[O-]	ZINC000831132208	605180505	/nfs/dbraw/zinc/18/05/05/605180505.db2.gz	QDJSUCDWQZUWDQ-UHFFFAOYSA-N	-1	0	276.231	0.500	20	30		CCEDRM
N#CC1(COC(=O)C2CN(C(=O)[O-])C2)CCOCC1	ZINC000833964886	605595742	/nfs/dbraw/zinc/59/57/42/605595742.db2.gz	SRGYNDUMHWZQCT-UHFFFAOYSA-N	-1	0	268.269	0.460	20	30		CCEDRM
N#C[C@@H](NC(=O)C[C@H]1CSCCN1C(=O)[O-])C1CC1	ZINC000831070357	605646636	/nfs/dbraw/zinc/64/66/36/605646636.db2.gz	JOUQDHNVWILGII-VHSXEESVSA-N	-1	0	283.353	0.890	20	30		CCEDRM
N#CCCCCS(=O)(=O)NCC1CN(C(=O)[O-])C1	ZINC000833969280	605726490	/nfs/dbraw/zinc/72/64/90/605726490.db2.gz	UKRFNJUBZBZZQV-UHFFFAOYSA-N	-1	0	275.330	0.209	20	30		CCEDRM
N#CCCCCS(=O)(=O)NC[C@H](NC(=O)[O-])C1CC1	ZINC000833969535	605803672	/nfs/dbraw/zinc/80/36/72/605803672.db2.gz	VDDQKSZGVMUOAN-JTQLQIEISA-N	-1	0	289.357	0.646	20	30		CCEDRM
Cn1cc(C#N)c(NC(=O)NC[C@H](NC(=O)[O-])C2CC2)n1	ZINC000833946183	605896366	/nfs/dbraw/zinc/89/63/66/605896366.db2.gz	XYAZULQICWPILI-VIFPVBQESA-N	-1	0	292.299	0.459	20	30		CCEDRM
N#Cc1ccc(NCC(=O)NCCCNC(=O)[O-])nc1	ZINC000833976729	605996763	/nfs/dbraw/zinc/99/67/63/605996763.db2.gz	XJFQAYGWDIYIAY-UHFFFAOYSA-N	-1	0	277.284	0.139	20	30		CCEDRM
N#C[C@@H](NC(=O)c1cnc(NC(=O)[O-])cn1)C1CC1	ZINC000833960846	606038683	/nfs/dbraw/zinc/03/86/83/606038683.db2.gz	LSQUTLIHZBFMRA-SSDOTTSWSA-N	-1	0	261.241	0.598	20	30		CCEDRM
N#CC1CCN(C(=O)c2cnc(NC(=O)[O-])cn2)CC1	ZINC000833968778	606055031	/nfs/dbraw/zinc/05/50/31/606055031.db2.gz	YAONQUZJPGQOJC-UHFFFAOYSA-N	-1	0	275.268	0.942	20	30		CCEDRM
C#CCCS(=O)(=O)[N-]C(=O)C1(SC)CCC1	ZINC000810783175	613052676	/nfs/dbraw/zinc/05/26/76/613052676.db2.gz	HSRQCTHSOMDEDY-UHFFFAOYSA-N	-1	0	261.368	0.741	20	30		CCEDRM
C#CCCS(=O)(=O)[N-]C(=O)COc1ccc(C#N)cc1	ZINC000810785519	613052700	/nfs/dbraw/zinc/05/27/00/613052700.db2.gz	KYKSWRRQMUHSLR-UHFFFAOYSA-N	-1	0	292.316	0.406	20	30		CCEDRM
C#CCCS(=O)(=O)[N-]C(=O)[C@@H]1C[C@@H](C)O[C@H]1C	ZINC000870331733	613053229	/nfs/dbraw/zinc/05/32/29/613053229.db2.gz	PDVFYXJJUOJHEX-KXUCPTDWSA-N	-1	0	259.327	0.269	20	30		CCEDRM
C#CCN(CC(=O)[O-])S(=O)(=O)c1ccc(F)c(C)c1	ZINC000849220389	613103490	/nfs/dbraw/zinc/10/34/90/613103490.db2.gz	MRJQAXYDUBBRLZ-UHFFFAOYSA-N	-1	0	285.296	0.843	20	30		CCEDRM
C=C(Cl)C[C@@H](NC(=O)c1cnnn1C)C(=O)[O-]	ZINC000910266525	613388684	/nfs/dbraw/zinc/38/86/84/613388684.db2.gz	MKCTYIUZWVEQIS-ZCFIWIBFSA-N	-1	0	258.665	0.141	20	30		CCEDRM
C=CCCS(=O)(=O)NC1CCN(C(=O)[O-])CC1	ZINC000823501349	613581029	/nfs/dbraw/zinc/58/10/29/613581029.db2.gz	VPDFRYOURCKGMR-UHFFFAOYSA-N	-1	0	262.331	0.624	20	30		CCEDRM
CC(C)[C@@H](C#N)NC(=O)COC1CN(C(=O)[O-])C1	ZINC000824056069	614072350	/nfs/dbraw/zinc/07/23/50/614072350.db2.gz	JUAZKMAZMJIXFM-SECBINFHSA-N	-1	0	255.274	0.030	20	30		CCEDRM
CC(C)(CNS(=O)(=O)CCCCC#N)NC(=O)[O-]	ZINC000824011530	614112533	/nfs/dbraw/zinc/11/25/33/614112533.db2.gz	RQUOVTSVKGXZFT-UHFFFAOYSA-N	-1	0	277.346	0.646	20	30		CCEDRM
CC(C)CO[C@H](C)C(=O)N1CCN(C(=O)[O-])C[C@H]1C#N	ZINC000824267986	614172797	/nfs/dbraw/zinc/17/27/97/614172797.db2.gz	IOHBOIDFGYVUNG-GHMZBOCLSA-N	-1	0	283.328	0.762	20	30		CCEDRM
CC(C)C[C@@H](NC(=O)C1(C#N)CCOCC1)C(=O)[O-]	ZINC000817881411	614193550	/nfs/dbraw/zinc/19/35/50/614193550.db2.gz	ZLTYIBIFJFTBOG-SNVBAGLBSA-N	-1	0	268.313	0.922	20	30		CCEDRM
COc1ccc(C=Nn2c(=O)[n-][nH]c2=O)cc1[N+](=O)[O-]	ZINC000814233687	617238562	/nfs/dbraw/zinc/23/85/62/617238562.db2.gz	CFGABMMMLFASGO-UHFFFAOYSA-N	-1	0	279.212	0.488	20	30		CCEDRM
CSc1cccnc1C(=O)N[C@H]1CCN(O)C1=O	ZINC000820132089	617281406	/nfs/dbraw/zinc/28/14/06/617281406.db2.gz	MPAZQMWCGNFBDD-ZETCQYMHSA-N	-1	0	267.310	0.523	20	30		CCEDRM
COc1cccc(CC(=O)[N-]S(=O)(=O)CCC#N)c1	ZINC000821583845	617295755	/nfs/dbraw/zinc/29/57/55/617295755.db2.gz	JJJWVZALCSWRMH-UHFFFAOYSA-N	-1	0	282.321	0.597	20	30		CCEDRM
C#CCC1(NS(=O)(=O)N=S(C)(C)=O)CCOCC1	ZINC000885840749	612970973	/nfs/dbraw/zinc/97/09/73/612970973.db2.gz	OFHABHIWOBEFST-UHFFFAOYSA-N	-1	0	294.398	0.121	20	30		CCEDRM
C#CCCCCNC(=O)C(=O)NC[C@H](C(=O)[O-])C1CCC1	ZINC000853344950	612977115	/nfs/dbraw/zinc/97/71/15/612977115.db2.gz	ILVKOXKYLVIUFN-LBPRGKRZSA-N	-1	0	294.351	0.523	20	30		CCEDRM
C#CCCCNC(=O)C(=O)N1CCC(C)(C(=O)[O-])CC1	ZINC000843257076	612979063	/nfs/dbraw/zinc/97/90/63/612979063.db2.gz	KZYLLKYEGCZEDN-UHFFFAOYSA-N	-1	0	280.324	0.229	20	30		CCEDRM
C#CCOCCC(=O)NCC1(C(=O)[O-])CCCC1	ZINC000833363846	612979364	/nfs/dbraw/zinc/97/93/64/612979364.db2.gz	CBMZQIGCVAGGFL-UHFFFAOYSA-N	-1	0	253.298	0.788	20	30		CCEDRM
C#CCCCNC(=O)C(=O)Nc1ccccc1CC(=O)[O-]	ZINC000817668542	612980981	/nfs/dbraw/zinc/98/09/81/612980981.db2.gz	KDYYLNMTFCVNNE-UHFFFAOYSA-N	-1	0	288.303	0.782	20	30		CCEDRM
C#CCCCNC(=O)CN(C[C@H]1CCCO1)C(=O)[O-]	ZINC000823444753	612981049	/nfs/dbraw/zinc/98/10/49/612981049.db2.gz	PWSPZYQLRCNSBH-LLVKDONJSA-N	-1	0	268.313	0.675	20	30		CCEDRM
C#CCOCCNC(=O)N1CC[C@@H](C(=O)[O-])[C@@H](C)C1	ZINC000861455798	612986172	/nfs/dbraw/zinc/98/61/72/612986172.db2.gz	TVCHMVURLHMUOM-WDEREUQCSA-N	-1	0	268.313	0.388	20	30		CCEDRM
C#CCOCCNC(=O)N1C[C@H](C)C[C@H](C(=O)[O-])C1	ZINC000817876444	612986637	/nfs/dbraw/zinc/98/66/37/612986637.db2.gz	LDTGFMUHTHPMKX-MNOVXSKESA-N	-1	0	268.313	0.388	20	30		CCEDRM
C#CCOCCNC(=O)Nc1nc(CC(=O)[O-])cs1	ZINC000833366111	612988407	/nfs/dbraw/zinc/98/84/07/612988407.db2.gz	GUHGXISSMVHWFI-UHFFFAOYSA-N	-1	0	283.309	0.542	20	30		CCEDRM
C#CCO[N-]C(=O)C1(C(=O)OC)CC2(CCC2)C1	ZINC000855606193	612991878	/nfs/dbraw/zinc/99/18/78/612991878.db2.gz	BYDDLNUOLRZUKS-UHFFFAOYSA-N	-1	0	251.282	0.791	20	30		CCEDRM
C#CCO[N-]C(=O)Cn1cc(C)c(C(F)(F)F)n1	ZINC000862183526	612992290	/nfs/dbraw/zinc/99/22/90/612992290.db2.gz	CWVFXTYTSKJYDD-UHFFFAOYSA-N	-1	0	261.203	0.891	20	30		CCEDRM
C#CCO[N-]C(=O)[C@@H]1CCCN1C(=O)NC(C)C	ZINC000855606233	612992636	/nfs/dbraw/zinc/99/26/36/612992636.db2.gz	DLRNDLQPOCAZMW-JTQLQIEISA-N	-1	0	253.302	0.250	20	30		CCEDRM
C#CCO[N-]C(=O)[C@@H]1CSCN1C(=O)C1CCCC1	ZINC000855602974	612992693	/nfs/dbraw/zinc/99/26/93/612992693.db2.gz	IAQKDRWFAUILPR-NSHDSACASA-N	-1	0	282.365	0.759	20	30		CCEDRM
C#CCO[C@@H](C)C(=O)N1CCC2(C[C@@H]2C(=O)[O-])CC1	ZINC000908656816	612994238	/nfs/dbraw/zinc/99/42/38/612994238.db2.gz	ASARCUICOCLTBO-WDEREUQCSA-N	-1	0	265.309	0.738	20	30		CCEDRM
C#CCO[C@@H](C)C(=O)N1CCC[C@]1(COC)C(=O)[O-]	ZINC000909942094	612994676	/nfs/dbraw/zinc/99/46/76/612994676.db2.gz	FWKMQWAOAZQQPM-GWCFXTLKSA-N	-1	0	269.297	0.117	20	30		CCEDRM
C#CCO[C@@H](C)C(=O)[N-]S(=O)(=O)CC(C)(C)C	ZINC000835156036	612996754	/nfs/dbraw/zinc/99/67/54/612996754.db2.gz	LWTMWRDQDDABAY-VIFPVBQESA-N	-1	0	261.343	0.517	20	30		CCEDRM
C#CCO[C@@H](C)C(=O)[N-]S(=O)(=O)c1cnccc1C	ZINC000842393829	612997096	/nfs/dbraw/zinc/99/70/96/612997096.db2.gz	ANKLROKRHCMLGU-JTQLQIEISA-N	-1	0	282.321	0.233	20	30		CCEDRM
C#CCO[C@H](C)C(=O)N1C[C@@H](OC)C[C@@]1(C)C(=O)[O-]	ZINC000910268460	613000742	/nfs/dbraw/zinc/00/07/42/613000742.db2.gz	WMAVHXCQUZHHPL-NRUUGDAUSA-N	-1	0	269.297	0.115	20	30		CCEDRM
C#CCO[C@H](C)C(=O)N[C@@H](Cc1ccncc1)C(=O)[O-]	ZINC000911427779	613002318	/nfs/dbraw/zinc/00/23/18/613002318.db2.gz	SCGWBBJEZCMSKM-PWSUYJOCSA-N	-1	0	276.292	0.232	20	30		CCEDRM
C#CCOc1ccc(NC(=O)C(=O)N[C@@H](C)C(=O)[O-])cc1	ZINC000817675390	613006797	/nfs/dbraw/zinc/00/67/97/613006797.db2.gz	VVBOIWYBSGSRGP-VIFPVBQESA-N	-1	0	290.275	0.226	20	30		CCEDRM
C#CCCN1CCN(C(=O)[C@@]2(F)CCN(C(=O)[O-])C2)CC1	ZINC000823444591	613010112	/nfs/dbraw/zinc/01/01/12/613010112.db2.gz	NGYKTDLUINUILR-CQSZACIVSA-N	-1	0	297.330	0.246	20	30		CCEDRM
C#CC[C@@H](CO)NC(=O)c1cc(C)cc(C(=O)[O-])c1	ZINC000911394637	613028600	/nfs/dbraw/zinc/02/86/00/613028600.db2.gz	BDVILSKRCKYVHF-LBPRGKRZSA-N	-1	0	261.277	0.807	20	30		CCEDRM
C#CC[C@@H](CO)NC(=O)c1ccc(C)c(C(=O)[O-])c1	ZINC000911395456	613029114	/nfs/dbraw/zinc/02/91/14/613029114.db2.gz	PXTJLSNHNFVQNL-NSHDSACASA-N	-1	0	261.277	0.807	20	30		CCEDRM
C#CC[C@@H](NC(=O)c1cc(OC)ns1)C(=O)[O-]	ZINC000910049651	613041871	/nfs/dbraw/zinc/04/18/71/613041871.db2.gz	YYWJTFWOCNXWGU-ZCFIWIBFSA-N	-1	0	254.267	0.358	20	30		CCEDRM
C#CC[C@@H](NC(=O)c1cccnc1OCCOC)C(=O)[O-]	ZINC000910051921	613041956	/nfs/dbraw/zinc/04/19/56/613041956.db2.gz	IWGBIHADQIBKMS-LLVKDONJSA-N	-1	0	292.291	0.313	20	30		CCEDRM
C#CC[C@@H](NC(=O)c1ncn(C(C)(C)C)n1)C(=O)[O-]	ZINC000910046400	613042481	/nfs/dbraw/zinc/04/24/81/613042481.db2.gz	OFZVKFVKTWHJQE-MRVPVSSYSA-N	-1	0	264.285	0.239	20	30		CCEDRM
C#CCCS(=O)(=O)[N-]C(=O)CCOC[C@H]1CCCO1	ZINC000810783930	613052740	/nfs/dbraw/zinc/05/27/40/613052740.db2.gz	KWGRTQGLADTPQR-LLVKDONJSA-N	-1	0	289.353	0.041	20	30		CCEDRM
C#CCCS(=O)(=O)[N-]C(=O)c1cccc(C)n1	ZINC000810780962	613053583	/nfs/dbraw/zinc/05/35/83/613053583.db2.gz	AEORTEROBJVOBY-UHFFFAOYSA-N	-1	0	252.295	0.473	20	30		CCEDRM
C#CC[C@H](NC(=O)C1C[C@H]2CCC[C@@H](C1)C2=O)C(=O)[O-]	ZINC000910052272	613067664	/nfs/dbraw/zinc/06/76/64/613067664.db2.gz	RSJOBWNHVIMRGX-MBYGNEARSA-N	-1	0	277.320	0.975	20	30		CCEDRM
C#CC[C@H](NC(=O)[C@@H]1CCc2cncn2C1)C(=O)[O-]	ZINC000910047974	613069120	/nfs/dbraw/zinc/06/91/20/613069120.db2.gz	BDLPAZMXWUYBHP-KOLCDFICSA-N	-1	0	261.281	0.038	20	30		CCEDRM
C#CC[C@H](NC(=O)[C@H]1CSCN1C(=O)CCC)C(=O)[O-]	ZINC000910055116	613069718	/nfs/dbraw/zinc/06/97/18/613069718.db2.gz	XQNKQXUIRGTWPZ-VHSXEESVSA-N	-1	0	298.364	0.281	20	30		CCEDRM
C#CC[C@H](NC(=O)c1c(C2CC2)cnn1C)C(=O)[O-]	ZINC000910045965	613069979	/nfs/dbraw/zinc/06/99/79/613069979.db2.gz	IPSZIQHODFNSKL-JTQLQIEISA-N	-1	0	261.281	0.504	20	30		CCEDRM
C#CC[C@H](NC(=O)c1n[nH]c2c1C[C@H](C)CC2)C(=O)[O-]	ZINC000910048351	613070763	/nfs/dbraw/zinc/07/07/63/613070763.db2.gz	JHUJNCSGIGMJGO-KCJUWKMLSA-N	-1	0	275.308	0.741	20	30		CCEDRM
C#C[C@@H](CO)NC(=O)c1ccccc1S[C@H](C)C(=O)[O-]	ZINC000911612132	613089957	/nfs/dbraw/zinc/08/99/57/613089957.db2.gz	RPJFWPIDGYPBFJ-ZJUUUORDSA-N	-1	0	293.344	0.976	20	30		CCEDRM
C#C[C@@H](NC(=O)[C@H]1CC[C@@H](CCC(=O)[O-])O1)[C@H]1CCCO1	ZINC000911578889	613098491	/nfs/dbraw/zinc/09/84/91/613098491.db2.gz	MJUDLXGISPSLQP-UMSGYPCISA-N	-1	0	295.335	0.696	20	30		CCEDRM
C#CCN(CC#CC)C(=O)[C@]1(F)CCN(C(=O)[O-])C1	ZINC000823450745	613100268	/nfs/dbraw/zinc/10/02/68/613100268.db2.gz	IDERLOLFSIACFA-ZDUSSCGKSA-N	-1	0	266.272	0.564	20	30		CCEDRM
C#CCN(CC(=O)[O-])S(=O)(=O)[C@@H](C)C(F)(F)F	ZINC000849219261	613103615	/nfs/dbraw/zinc/10/36/15/613103615.db2.gz	OIYAGLFBEBLRQL-LURJTMIESA-N	-1	0	273.232	0.287	20	30		CCEDRM
C#C[C@H](C)N(C)C(=O)NCC1(C(=O)[O-])CCOCC1	ZINC000831062747	613113444	/nfs/dbraw/zinc/11/34/44/613113444.db2.gz	OUJHWCYFWTYNNT-JTQLQIEISA-N	-1	0	268.313	0.531	20	30		CCEDRM
C#C[C@H](C)NC(=O)c1ccc([N-]S(C)(=O)=O)nc1	ZINC000860948277	613118642	/nfs/dbraw/zinc/11/86/42/613118642.db2.gz	ZHWMTGKACFCKJN-QMMMGPOBSA-N	-1	0	267.310	0.205	20	30		CCEDRM
C#C[C@H](CC)NC(=O)c1ccc([N-]S(C)(=O)=O)nc1	ZINC000861309133	613122082	/nfs/dbraw/zinc/12/20/82/613122082.db2.gz	KBHPMRKICJBKFA-SNVBAGLBSA-N	-1	0	281.337	0.595	20	30		CCEDRM
C#C[C@H](NC(=O)CSc1n[nH]c(=O)[n-]1)C1CCOCC1	ZINC000856104371	613133678	/nfs/dbraw/zinc/13/36/78/613133678.db2.gz	VGTHUOVEFRVJBO-VIFPVBQESA-N	-1	0	296.352	0.147	20	30		CCEDRM
C#Cc1cc(F)c(NC(=O)C(=O)[N-]OCC)c(F)c1	ZINC000802572966	613164843	/nfs/dbraw/zinc/16/48/43/613164843.db2.gz	NDYMYAFGAMAOOH-UHFFFAOYSA-N	-1	0	268.219	0.952	20	30		CCEDRM
C#CCN1CCC[C@@H](NC(=O)C(F)(F)F)[C@H]1C(=O)[O-]	ZINC000852732536	613165067	/nfs/dbraw/zinc/16/50/67/613165067.db2.gz	DJTFCMYBZTXBFD-SFYZADRCSA-N	-1	0	278.230	0.216	20	30		CCEDRM
C#Cc1ccc(C(=O)N(CC(=O)[O-])C2CCOCC2)nc1	ZINC000825636286	613166701	/nfs/dbraw/zinc/16/67/01/613166701.db2.gz	GYQDJDGOUYMDIA-UHFFFAOYSA-N	-1	0	288.303	0.769	20	30		CCEDRM
C#Cc1ccc(C(=O)N2CC[C@@H](OC)C[C@@H]2C(=O)[O-])cn1	ZINC000833368521	613172662	/nfs/dbraw/zinc/17/26/62/613172662.db2.gz	PVGNNHCUPKSHSR-CHWSQXEVSA-N	-1	0	288.303	0.767	20	30		CCEDRM
C#Cc1ccc(C(=O)N2CC[C@](O)(C(=O)[O-])C2)cc1	ZINC000910524710	613174909	/nfs/dbraw/zinc/17/49/09/613174909.db2.gz	FWLWQVBBWOJXIX-CQSZACIVSA-N	-1	0	259.261	0.330	20	30		CCEDRM
C#Cc1cccc(CNC(=O)N2CCO[C@@H](C(=O)[O-])C2)c1	ZINC000840991686	613199869	/nfs/dbraw/zinc/19/98/69/613199869.db2.gz	GEDVWKDHKFKVKF-CYBMUJFWSA-N	-1	0	288.303	0.663	20	30		CCEDRM
C#CCN1CCC[C@H]1COC(=O)c1cnc(C(=O)[O-])cn1	ZINC000833364607	613203448	/nfs/dbraw/zinc/20/34/48/613203448.db2.gz	QFDWUXOTKVMVDG-JTQLQIEISA-N	-1	0	289.291	0.429	20	30		CCEDRM
C#Cc1cncc(C(=O)N2C[C@@H](OC)C[C@]2(C)C(=O)[O-])c1	ZINC000910261627	613215227	/nfs/dbraw/zinc/21/52/27/613215227.db2.gz	DVVXMBCMFPXIMX-SWLSCSKDSA-N	-1	0	288.303	0.767	20	30		CCEDRM
C=C(Br)Cn1cnc(-c2nnn[n-]2)c1C#N	ZINC000823872801	613239318	/nfs/dbraw/zinc/23/93/18/613239318.db2.gz	DUBPUMYAQXWRKZ-UHFFFAOYSA-N	-1	0	280.089	0.843	20	30		CCEDRM
C=C(C)CN(CC)C(=O)CN1CC[C@@H](OC)C[C@@H]1C(=O)[O-]	ZINC000833369141	613292972	/nfs/dbraw/zinc/29/29/72/613292972.db2.gz	HCYQFGAPAQYBTR-CHWSQXEVSA-N	-1	0	298.383	0.975	20	30		CCEDRM
C#CCNC(=O)COC(=O)c1ccc(C(=O)[O-])cc1	ZINC000819700927	613332901	/nfs/dbraw/zinc/33/29/01/613332901.db2.gz	QWAZSRBQRQXDOS-UHFFFAOYSA-N	-1	0	261.233	0.291	20	30		CCEDRM
C=C(C)COCCNC(=O)N1CC[C@@H](CNC(=O)[O-])C1	ZINC000823480446	613351925	/nfs/dbraw/zinc/35/19/25/613351925.db2.gz	CKIWZDRGJOANCM-NSHDSACASA-N	-1	0	285.344	0.878	20	30		CCEDRM
C=C(C)COCCNC(=O)C[C@@H]1CN(C(=O)[O-])CCO1	ZINC000823480485	613351936	/nfs/dbraw/zinc/35/19/36/613351936.db2.gz	DQWAYKPKGHWPLK-LLVKDONJSA-N	-1	0	286.328	0.464	20	30		CCEDRM
C=C(C)CO[N-]C(=O)C(=O)Nc1cnn(CC)c1	ZINC000846146351	613352407	/nfs/dbraw/zinc/35/24/07/613352407.db2.gz	NMUXFJTZCXFQFU-UHFFFAOYSA-N	-1	0	252.274	0.465	20	30		CCEDRM
C=C(C)CO[N-]C(=O)CN1C(=O)NC2(CCCC2)C1=O	ZINC000846541263	613352448	/nfs/dbraw/zinc/35/24/48/613352448.db2.gz	RVNCFLRVRMDQSW-UHFFFAOYSA-N	-1	0	281.312	0.475	20	30		CCEDRM
C=C(C)CO[N-]C(=O)CN(C)C(=O)[C@H](C)n1cccn1	ZINC000846538795	613352510	/nfs/dbraw/zinc/35/25/10/613352510.db2.gz	UWKSYKLXDDSMJC-NSHDSACASA-N	-1	0	280.328	0.526	20	30		CCEDRM
C=C(C)CO[N-]C(=O)Cn1nnc2c1CCCC2	ZINC000848244925	613352643	/nfs/dbraw/zinc/35/26/43/613352643.db2.gz	FYWFOXVOFKHRLQ-UHFFFAOYSA-N	-1	0	250.302	0.781	20	30		CCEDRM
C=C(C)CS(=O)(=O)N[C@@H](C(=O)[O-])[C@@H](O)c1ccccc1	ZINC000844785761	613354234	/nfs/dbraw/zinc/35/42/34/613354234.db2.gz	MSSQJMWBIZNABS-NEPJUHHUSA-N	-1	0	299.348	0.669	20	30		CCEDRM
C=C(C)C[C@@H](NC(=O)NCCC(C)(C)O)C(=O)[O-]	ZINC000909068497	613355825	/nfs/dbraw/zinc/35/58/25/613355825.db2.gz	LXJALLRZAYQWBQ-SECBINFHSA-N	-1	0	258.318	0.866	20	30		CCEDRM
C=C(C)C[C@@H](NC(=O)[C@@H]1CCc2nnc(C)n2C1)C(=O)[O-]	ZINC000910288639	613355987	/nfs/dbraw/zinc/35/59/87/613355987.db2.gz	ZBCDXKHSQHVHDC-GHMZBOCLSA-N	-1	0	292.339	0.685	20	30		CCEDRM
C=C(C)C[C@@H](NC(C)=O)C(=O)[N-]S(=O)(=O)C1(C)CC1	ZINC000851022298	613356476	/nfs/dbraw/zinc/35/64/76/613356476.db2.gz	BWPQSRSXQQDWSW-SNVBAGLBSA-N	-1	0	288.369	0.456	20	30		CCEDRM
C=C(C)C[C@@H](NS(=O)(=O)CC(C)(C)OC)C(=O)[O-]	ZINC000864451388	613356720	/nfs/dbraw/zinc/35/67/20/613356720.db2.gz	GHLPSBGARRYISQ-SECBINFHSA-N	-1	0	279.358	0.750	20	30		CCEDRM
C=C(C)C[C@H](NC(=O)c1csc(CO)n1)C(=O)[O-]	ZINC000910291429	613359180	/nfs/dbraw/zinc/35/91/80/613359180.db2.gz	ILEVIHDDLYUVTM-ZETCQYMHSA-N	-1	0	270.310	0.785	20	30		CCEDRM
C=C(C)[C@@H](CC(=O)NC[C@@H]1CCO[C@@H]1C(=O)[O-])OCC	ZINC000910348683	613360189	/nfs/dbraw/zinc/36/01/89/613360189.db2.gz	LELQYDNJGGCGLU-LOWVWBTDSA-N	-1	0	285.340	0.964	20	30		CCEDRM
C=C(C)[C@@H](CC(=O)Nc1n[nH]c(CC(=O)[O-])n1)OCC	ZINC000833368063	613360441	/nfs/dbraw/zinc/36/04/41/613360441.db2.gz	ZYTKRKWBMBTRQK-MRVPVSSYSA-N	-1	0	282.300	0.742	20	30		CCEDRM
C=C(C)[C@H]1OCC[C@H]1C(=O)N(C)Cc1n[n-]c(=O)o1	ZINC000899169574	613362944	/nfs/dbraw/zinc/36/29/44/613362944.db2.gz	CXJSHHFAMZPLEK-PSASIEDQSA-N	-1	0	267.285	0.715	20	30		CCEDRM
C=C(Cl)CN1C(=O)NC2(CCN(C(=O)[O-])CC2)C1=O	ZINC000823480616	613370857	/nfs/dbraw/zinc/37/08/57/613370857.db2.gz	IRLNQDOXHCDPJD-UHFFFAOYSA-N	-1	0	287.703	0.803	20	30		CCEDRM
C=C(Cl)CNC(=O)N1CCO[C@@H]([C@H](C)NC(=O)[O-])C1	ZINC000823486052	613383641	/nfs/dbraw/zinc/38/36/41/613383641.db2.gz	MYYUMQGABDEDKS-DTWKUNHWSA-N	-1	0	291.735	0.805	20	30		CCEDRM
C=C(Cl)C[C@@H](NC(=O)Cc1ccn(C)n1)C(=O)[O-]	ZINC000910271070	613388424	/nfs/dbraw/zinc/38/84/24/613388424.db2.gz	MPCQDMGVDDUICE-SECBINFHSA-N	-1	0	271.704	0.675	20	30		CCEDRM
C=C(Cl)C[C@@H](NC(=O)[C@@H]1CCS(=O)(=O)C1)C(=O)[O-]	ZINC000864184242	613388603	/nfs/dbraw/zinc/38/86/03/613388603.db2.gz	LOVXRFVFNSMWRL-HTQZYQBOSA-N	-1	0	295.744	0.133	20	30		CCEDRM
C=C(Cl)C[C@@H](NC(=O)c1ccnn1C)C(=O)[O-]	ZINC000864183665	613388667	/nfs/dbraw/zinc/38/86/67/613388667.db2.gz	TYYHWBRMPWQRRN-SSDOTTSWSA-N	-1	0	257.677	0.746	20	30		CCEDRM
C=C(Cl)C[C@@H](NC(=O)[C@H]1CCS(=O)(=O)C1)C(=O)[O-]	ZINC000864184246	613388707	/nfs/dbraw/zinc/38/87/07/613388707.db2.gz	LOVXRFVFNSMWRL-JGVFFNPUSA-N	-1	0	295.744	0.133	20	30		CCEDRM
C=CCS(=O)(=O)[N-]C(=O)c1nn(C)cc1Cl	ZINC000860630741	613394703	/nfs/dbraw/zinc/39/47/03/613394703.db2.gz	AVGIYYQMNOKDNS-UHFFFAOYSA-N	-1	0	263.706	0.319	20	30		CCEDRM
C=CCS(=O)(=O)[N-]C(=O)c1coc(CCC)n1	ZINC000802121463	613394801	/nfs/dbraw/zinc/39/48/01/613394801.db2.gz	DOKRYIJNJQXERH-UHFFFAOYSA-N	-1	0	258.299	0.873	20	30		CCEDRM
C=C1CCC(CNC(=O)C(=O)NC[C@H](C)C(=O)[O-])CC1	ZINC000927946747	613413161	/nfs/dbraw/zinc/41/31/61/613413161.db2.gz	IZHVNKQCFKBSTG-JTQLQIEISA-N	-1	0	282.340	0.686	20	30		CCEDRM
C=CC[C@H]1CCCN(C(=O)C(=O)NCCOCC(=O)[O-])C1	ZINC000884476798	613421038	/nfs/dbraw/zinc/42/10/38/613421038.db2.gz	ATMPOKUJQAJRNI-NSHDSACASA-N	-1	0	298.339	0.019	20	30		CCEDRM
C=C[C@@H](C)NC(=O)C(=O)Nc1cccc(OCC(=O)[O-])c1	ZINC000825653301	613442140	/nfs/dbraw/zinc/44/21/40/613442140.db2.gz	JESRHJNNOWWGMU-SECBINFHSA-N	-1	0	292.291	0.779	20	30		CCEDRM
C=C[C@@H](C)O[N-]C(=O)[C@@H]1COCCN1CC(F)F	ZINC000846550392	613447045	/nfs/dbraw/zinc/44/70/45/613447045.db2.gz	RQLJZRIMZVZGLS-BDAKNGLRSA-N	-1	0	264.272	0.575	20	30		CCEDRM
C=C[C@@H](C)O[N-]C(=O)[C@H](CCSC)NC(N)=O	ZINC000862133136	613447121	/nfs/dbraw/zinc/44/71/21/613447121.db2.gz	TYYLUCRDDQIJFW-SFYZADRCSA-N	-1	0	261.347	0.399	20	30		CCEDRM
C=C[C@@H](C)O[N-]C(=O)[C@H](C)n1cnc2c1ncnc2N	ZINC000855026830	613447157	/nfs/dbraw/zinc/44/71/57/613447157.db2.gz	QECHRSPHICZIAB-SFYZADRCSA-N	-1	0	276.300	0.592	20	30		CCEDRM
C=CC1(S(=O)(=O)[N-]C(=O)COC2CCOCC2)CC1	ZINC000870834544	613450423	/nfs/dbraw/zinc/45/04/23/613450423.db2.gz	HTEIPJONERGNQS-UHFFFAOYSA-N	-1	0	289.353	0.347	20	30		CCEDRM
C=CC1(S(=O)(=O)[N-]C(=O)[C@@H](N)C(C)(C)C)CC1	ZINC000901064363	613450873	/nfs/dbraw/zinc/45/08/73/613450873.db2.gz	NXGKPXHARZLXHW-MRVPVSSYSA-N	-1	0	260.359	0.524	20	30		CCEDRM
C=C[C@@H](O)C(=O)N1Cc2ccccc2[C@H](C(=O)[O-])C1	ZINC000909424120	613451238	/nfs/dbraw/zinc/45/12/38/613451238.db2.gz	LUWRSMGBSIQTAY-VXGBXAGGSA-N	-1	0	261.277	0.744	20	30		CCEDRM
C=CC1(S(=O)(=O)[N-]C(=O)[C@@H](OC)C(C)C)CC1	ZINC000870835563	613451188	/nfs/dbraw/zinc/45/11/88/613451188.db2.gz	FBAHVAAOVJUDAA-VIFPVBQESA-N	-1	0	261.343	0.822	20	30		CCEDRM
C=CC1(S(=O)(=O)[N-]C(=O)[C@@H]2CCCOCC2)CC1	ZINC000870836701	613451278	/nfs/dbraw/zinc/45/12/78/613451278.db2.gz	LZWAGJQDYABSLF-SNVBAGLBSA-N	-1	0	273.354	0.968	20	30		CCEDRM
C=CC1(S(=O)(=O)[N-]C(=O)[C@]2(COC)CCOC2)CC1	ZINC000870837611	613451917	/nfs/dbraw/zinc/45/19/17/613451917.db2.gz	RUVYFRYPSLTXTM-NSHDSACASA-N	-1	0	289.353	0.204	20	30		CCEDRM
C=CC1(S(=O)(=O)[N-]C(=O)c2cc(CC)n[nH]2)CC1	ZINC000870833869	613451966	/nfs/dbraw/zinc/45/19/66/613451966.db2.gz	ZLZCZKQEHLXZCA-UHFFFAOYSA-N	-1	0	269.326	0.750	20	30		CCEDRM
C=CCC1(C(=O)[N-]S(=O)(=O)CC=C)CCOCC1	ZINC000820399177	613456638	/nfs/dbraw/zinc/45/66/38/613456638.db2.gz	OHRKYWPOJFPKLK-UHFFFAOYSA-N	-1	0	273.354	0.991	20	30		CCEDRM
C=CCC1(C(=O)[O-])CN(S(=O)(=O)CCCCOC)C1	ZINC000906006920	613457045	/nfs/dbraw/zinc/45/70/45/613457045.db2.gz	MFWZLVPXEITERA-UHFFFAOYSA-N	-1	0	291.369	0.706	20	30		CCEDRM
C=CCC1(NC(=O)N=c2nn[n-]n2CC)CCOCC1	ZINC000888320864	613457479	/nfs/dbraw/zinc/45/74/79/613457479.db2.gz	APIMYEKFMIOUCU-UHFFFAOYSA-N	-1	0	280.332	0.362	20	30		CCEDRM
C=CCC1(S(=O)(=O)[N-]C(=O)Cn2ccccc2=O)CC1	ZINC000810982069	613460697	/nfs/dbraw/zinc/46/06/97/613460697.db2.gz	KYRMVIPPXXVBQM-UHFFFAOYSA-N	-1	0	296.348	0.403	20	30		CCEDRM
C=CCC1(S(=O)(=O)[N-]C(=O)c2nnn(C)c2C)CC1	ZINC000810982061	613461401	/nfs/dbraw/zinc/46/14/01/613461401.db2.gz	XWYJIBOFILDPTI-UHFFFAOYSA-N	-1	0	284.341	0.292	20	30		CCEDRM
C=CCC1(S(=O)(=O)[N-]C(=O)[C@H]2CO[C@@H](C)C2)CC1	ZINC000810988290	613461408	/nfs/dbraw/zinc/46/14/08/613461408.db2.gz	GNVAVIQBYIZUKA-VHSXEESVSA-N	-1	0	273.354	0.966	20	30		CCEDRM
C=CCCC(=O)COC(=O)c1cnc(C(=O)[O-])cn1	ZINC000833373526	613462039	/nfs/dbraw/zinc/46/20/39/613462039.db2.gz	RNQUIQOTQAURIP-UHFFFAOYSA-N	-1	0	264.237	0.867	20	30		CCEDRM
C=CCCC(=O)[N-]S(=O)(=O)c1cncc(C#N)c1	ZINC000813984857	613463076	/nfs/dbraw/zinc/46/30/76/613463076.db2.gz	DMRUUJFKRWNTTL-UHFFFAOYSA-N	-1	0	265.294	0.724	20	30		CCEDRM
C=C[C@@H]1OCC[C@H]1C(=O)N1CCSC[C@H]1c1nnn[n-]1	ZINC000907481687	613463568	/nfs/dbraw/zinc/46/35/68/613463568.db2.gz	YAVZUSBZWCNQKG-UTLUCORTSA-N	-1	0	295.368	0.407	20	30		CCEDRM
C=CCCCN(C)C(=O)COC1CN(C(=O)[O-])C1	ZINC000823496878	613466524	/nfs/dbraw/zinc/46/65/24/613466524.db2.gz	RQIOPVCOQQQDQC-UHFFFAOYSA-N	-1	0	256.302	0.790	20	30		CCEDRM
C=C[C@@H]1OCC[C@H]1CNC(=O)N[C@@]1(C(=O)[O-])CCOC1	ZINC000909239196	613469743	/nfs/dbraw/zinc/46/97/43/613469743.db2.gz	TXMLFVGWLDACTR-KWBADKCTSA-N	-1	0	284.312	0.120	20	30		CCEDRM
C=C[C@@H]1OCC[C@H]1CNC(=O)N[C@H](CF)C(=O)[O-]	ZINC000909237745	613469799	/nfs/dbraw/zinc/46/97/99/613469799.db2.gz	KVSNTRKSGBZNMQ-YIZRAAEISA-N	-1	0	260.265	0.299	20	30		CCEDRM
C=CCCC[C@@H](NC(=O)Cn1cncn1)C(=O)[O-]	ZINC000910914188	613470563	/nfs/dbraw/zinc/47/05/63/613470563.db2.gz	CZRTVYCVWXYCES-SECBINFHSA-N	-1	0	252.274	0.204	20	30		CCEDRM
C=C[C@@](C)(O)C(=O)N[C@@H]1C[C@@H]2C[C@@H](C(=O)[O-])C[C@H]12	ZINC000907956718	613478868	/nfs/dbraw/zinc/47/88/68/613478868.db2.gz	IZHLMPHGJSBXJJ-TURJHENQSA-N	-1	0	253.298	0.539	20	30		CCEDRM
C=C[C@H](C)O[N-]C(=O)C(=O)Nc1nn(C)cc1C	ZINC000850478137	613483688	/nfs/dbraw/zinc/48/36/88/613483688.db2.gz	OOJQVHZJSFYTSE-QMMMGPOBSA-N	-1	0	252.274	0.289	20	30		CCEDRM
C=C[C@H](C)O[N-]C(=O)C(=O)Nc1cccnc1OC	ZINC000846152022	613483722	/nfs/dbraw/zinc/48/37/22/613483722.db2.gz	LQKDVYGJMKDWBS-QMMMGPOBSA-N	-1	0	265.269	0.651	20	30		CCEDRM
C=C[C@H](C)O[N-]C(=O)CN1C(=O)NC2(CCCC2)C1=O	ZINC000846542042	613484135	/nfs/dbraw/zinc/48/41/35/613484135.db2.gz	SJFHIGGPMQEOTM-VIFPVBQESA-N	-1	0	281.312	0.473	20	30		CCEDRM
C=C[C@H](C)O[N-]C(=O)[C@@H](C)Sc1nncn1C	ZINC000846551386	613487799	/nfs/dbraw/zinc/48/77/99/613487799.db2.gz	UOCHNMVAAXLSDL-JGVFFNPUSA-N	-1	0	256.331	0.918	20	30		CCEDRM
C=C[C@H](C)O[N-]C(=O)[C@@H]1COCCN1CC(F)F	ZINC000846550394	613488171	/nfs/dbraw/zinc/48/81/71/613488171.db2.gz	RQLJZRIMZVZGLS-IUCAKERBSA-N	-1	0	264.272	0.575	20	30		CCEDRM
C=C[C@H](O)C(=O)N1CCc2c(cccc2C(=O)[O-])C1	ZINC000910070058	613495031	/nfs/dbraw/zinc/49/50/31/613495031.db2.gz	GRVVMQXAZFZIKT-LBPRGKRZSA-N	-1	0	261.277	0.816	20	30		CCEDRM
C=C[C@H](O)C(=O)N1C[C@@H]2CCCC[C@]2(C(=O)[O-])C1	ZINC000910156633	613495489	/nfs/dbraw/zinc/49/54/89/613495489.db2.gz	VDRUQVORYXCMKS-KWBADKCTSA-N	-1	0	253.298	0.637	20	30		CCEDRM
C=C[C@H](O)C(=O)NC[C@H](Cc1ccccc1)C(=O)[O-]	ZINC000909179693	613495725	/nfs/dbraw/zinc/49/57/25/613495725.db2.gz	IRXNQWRYMONQGB-RYUDHWBXSA-N	-1	0	263.293	0.593	20	30		CCEDRM
C=C[C@H](O)C(=O)OCC1=Nc2ccccc2S(=O)(=O)[N-]1	ZINC000814549625	613498695	/nfs/dbraw/zinc/49/86/95/613498695.db2.gz	GKMPMVJNFNSAAS-VIFPVBQESA-N	-1	0	296.304	0.099	20	30		CCEDRM
C=C[C@](C)(O)C(=O)N1C[C@@H](C(=O)[O-])[C@H](C2CC2)C1	ZINC000909903924	613507260	/nfs/dbraw/zinc/50/72/60/613507260.db2.gz	AKPXDLRDTWVCMK-CWSCBRNRSA-N	-1	0	253.298	0.493	20	30		CCEDRM
C=C[C@](C)(O)C(=O)NCc1ncc(C(=O)[O-])s1	ZINC000910815576	613508160	/nfs/dbraw/zinc/50/81/60/613508160.db2.gz	DRTQUNOSFFNJHO-JTQLQIEISA-N	-1	0	256.283	0.395	20	30		CCEDRM
CC#CCCCC(=O)[N-]S(=O)(=O)C(COC)COC	ZINC000851502047	613520542	/nfs/dbraw/zinc/52/05/42/613520542.db2.gz	HKGCKQNHXMFRLN-UHFFFAOYSA-N	-1	0	291.369	0.287	20	30		CCEDRM
CC#CCCNC(=O)N(CCC)[C@H](COC)C(=O)[O-]	ZINC000909031441	613521802	/nfs/dbraw/zinc/52/18/02/613521802.db2.gz	IUKPZZOZIKUDMH-LLVKDONJSA-N	-1	0	270.329	0.921	20	30		CCEDRM
CC(=O)N1CC[C@H](CN(C)C(=O)[C@@](C)(C#N)CC(=O)[O-])C1	ZINC000819731011	613523826	/nfs/dbraw/zinc/52/38/26/613523826.db2.gz	CVVQIZQEXSVWFJ-BXUZGUMPSA-N	-1	0	295.339	0.318	20	30		CCEDRM
C=CCCOCC(=O)[N-]S(=O)(=O)C1(Cl)CC1	ZINC000893241879	613572853	/nfs/dbraw/zinc/57/28/53/613572853.db2.gz	JJLDNMGYMFJVAY-UHFFFAOYSA-N	-1	0	267.734	0.754	20	30		CCEDRM
C=CCCO[N-]C(=O)Cn1c(C)ncc1[N+](=O)[O-]	ZINC000825555525	613576593	/nfs/dbraw/zinc/57/65/93/613576593.db2.gz	ARVGERMAHYQMJU-UHFFFAOYSA-N	-1	0	254.246	0.724	20	30		CCEDRM
C=CCCO[N-]C(=O)CN1CCN(C2CC2)C1=O	ZINC000856028007	613576852	/nfs/dbraw/zinc/57/68/52/613576852.db2.gz	JMSPNRATFJYBSF-UHFFFAOYSA-N	-1	0	253.302	0.510	20	30		CCEDRM
C=CCCO[C@H](C)C(=O)N[C@@](C)(Cn1cccn1)C(=O)[O-]	ZINC000908272751	613579631	/nfs/dbraw/zinc/57/96/31/613579631.db2.gz	ONBJNXAMWCRRAO-RISCZKNCSA-N	-1	0	295.339	0.824	20	30		CCEDRM
C=CCCS(=O)(=O)N(C)[C@@H]1CCN(C(=O)[O-])C1	ZINC000823496170	613580253	/nfs/dbraw/zinc/58/02/53/613580253.db2.gz	DZJZFCYRLDGGRU-SECBINFHSA-N	-1	0	262.331	0.576	20	30		CCEDRM
C=CCCS(=O)(=O)N1CCC[C@H]1CN(C)C(=O)[O-]	ZINC000823500793	613580699	/nfs/dbraw/zinc/58/06/99/613580699.db2.gz	LOLWMAZCACBILK-JTQLQIEISA-N	-1	0	276.358	0.967	20	30		CCEDRM
C=CCCS(=O)(=O)N[C@@H]1CCOC[C@@H]1CC(=O)[O-]	ZINC000899950428	613581664	/nfs/dbraw/zinc/58/16/64/613581664.db2.gz	PCXUOCRSPXFVSY-VHSXEESVSA-N	-1	0	277.342	0.362	20	30		CCEDRM
C=CCC[C@H](NC(=O)NOC[C@H]1CCOC1)C(=O)[O-]	ZINC000909248071	613590174	/nfs/dbraw/zinc/59/01/74/613590174.db2.gz	DNSWLNSJLNSKMG-UWVGGRQHSA-N	-1	0	272.301	0.673	20	30		CCEDRM
C=CCC[C@H](NC(=O)c1csc(=O)[nH]1)C(=O)[O-]	ZINC000909713444	613590516	/nfs/dbraw/zinc/59/05/16/613590516.db2.gz	QFGXOQCMRBEPFW-LURJTMIESA-N	-1	0	256.283	0.998	20	30		CCEDRM
C=CCCn1cc(C([O-])=C(C#N)C(=O)c2nccn2C)nn1	ZINC000820318817	613597983	/nfs/dbraw/zinc/59/79/83/613597983.db2.gz	FUYNQZOXJWMWAJ-SNVBAGLBSA-N	-1	0	298.306	0.793	20	30		CCEDRM
C=CCCn1cc(CNCC(=O)[N-]OCC)nn1	ZINC000850340701	613599355	/nfs/dbraw/zinc/59/93/55/613599355.db2.gz	YVNYDWAYVWPHFU-UHFFFAOYSA-N	-1	0	253.306	0.012	20	30		CCEDRM
CC#CCS(=O)(=O)[N-]C(=O)CCC(C)(C)[N+](=O)[O-]	ZINC000835372059	613645857	/nfs/dbraw/zinc/64/58/57/613645857.db2.gz	PQJGEMAOXFMTLK-UHFFFAOYSA-N	-1	0	276.314	0.291	20	30		CCEDRM
C=CCN(CC(=O)[O-])C(=O)CCc1cc(OC)no1	ZINC000909514900	613641829	/nfs/dbraw/zinc/64/18/29/613641829.db2.gz	MVOOBSJSDSGOBY-UHFFFAOYSA-N	-1	0	268.269	0.715	20	30		CCEDRM
C=CCN(CC(=O)[O-])C(=O)[C@H]1CCCc2nn[nH]c21	ZINC000909516998	613643157	/nfs/dbraw/zinc/64/31/57/613643157.db2.gz	WROQCLYFEWMEGK-QMMMGPOBSA-N	-1	0	264.285	0.324	20	30		CCEDRM
C=CCN(CC(=O)[O-])C(=O)c1cnc(N(C)C)cn1	ZINC000909516967	613643727	/nfs/dbraw/zinc/64/37/27/613643727.db2.gz	VLGNHSWVDGRLBK-UHFFFAOYSA-N	-1	0	264.285	0.255	20	30		CCEDRM
CC#CCNC(=O)[C@H]1CC(C(=O)[O-])=NN1c1ccccc1	ZINC000911400604	613644770	/nfs/dbraw/zinc/64/47/70/613644770.db2.gz	DHVGNHXWLKZXSL-CYBMUJFWSA-N	-1	0	285.303	0.845	20	30		CCEDRM
CC#CCS(=O)(=O)[N-]C(=O)CSc1ccncc1	ZINC000788070831	613645844	/nfs/dbraw/zinc/64/58/44/613645844.db2.gz	LRYHRZHTIBMJAQ-UHFFFAOYSA-N	-1	0	284.362	0.643	20	30		CCEDRM
CC#CCS(=O)(=O)[N-]C(=O)CC1CCOCC1	ZINC000810777354	613645876	/nfs/dbraw/zinc/64/58/76/613645876.db2.gz	APPLYDBITUGKKI-UHFFFAOYSA-N	-1	0	259.327	0.272	20	30		CCEDRM
CC#CCS(=O)(=O)[N-]C(=O)CCc1ccnc(C)n1	ZINC000842781111	613645882	/nfs/dbraw/zinc/64/58/82/613645882.db2.gz	ZGBKCNXJGKUXOL-UHFFFAOYSA-N	-1	0	281.337	0.187	20	30		CCEDRM
CC#CCS(=O)(=O)[N-]C(=O)COc1ccc(C#N)cc1	ZINC000810776789	613645945	/nfs/dbraw/zinc/64/59/45/613645945.db2.gz	IDERLNJUKPNBNP-UHFFFAOYSA-N	-1	0	292.316	0.406	20	30		CCEDRM
CC#CCS(=O)(=O)[N-]C(=O)Cc1c(F)cccc1F	ZINC000810773282	613646176	/nfs/dbraw/zinc/64/61/76/613646176.db2.gz	XXSLILWPEHAYKR-UHFFFAOYSA-N	-1	0	287.287	0.977	20	30		CCEDRM
CC#CCS(=O)(=O)[N-]C(=O)C[C@@H](C)n1cccn1	ZINC000820894768	613646271	/nfs/dbraw/zinc/64/62/71/613646271.db2.gz	FIRHDFNIFORRJI-SNVBAGLBSA-N	-1	0	269.326	0.304	20	30		CCEDRM
CC#CCS(=O)(=O)[N-]C(=O)c1cc(C#N)[nH]c1C	ZINC000835372905	613647456	/nfs/dbraw/zinc/64/74/56/613647456.db2.gz	ZUCDCKSWZWWWSB-UHFFFAOYSA-N	-1	0	265.294	0.278	20	30		CCEDRM
C=CCN(CC=C)C(=O)COC(=O)c1cn[nH]n1	ZINC000805605519	613647648	/nfs/dbraw/zinc/64/76/48/613647648.db2.gz	JLBIRZMCDOSAHZ-UHFFFAOYSA-N	-1	0	250.258	0.162	20	30		CCEDRM
CC#CCS(=O)(=O)[N-]C(=O)c1coc(OCC)n1	ZINC000810777739	613648036	/nfs/dbraw/zinc/64/80/36/613648036.db2.gz	NHZDTEKGADHTJE-UHFFFAOYSA-N	-1	0	272.282	0.156	20	30		CCEDRM
CC(=NNC1=NCCN1)c1ccc([O-])c([N+](=O)[O-])c1	ZINC000841662436	613653765	/nfs/dbraw/zinc/65/37/65/613653765.db2.gz	XMVLJFGBWUWXLH-UHFFFAOYSA-N	-1	0	263.257	0.573	20	30		CCEDRM
CC(=NNCCS(C)(=O)=O)[C@@H]1CCCCN1C(=O)[O-]	ZINC000823531923	613655744	/nfs/dbraw/zinc/65/57/44/613655744.db2.gz	FJCXEZSSABXGGR-JTQLQIEISA-N	-1	0	291.373	0.529	20	30		CCEDRM
Cc1ccnc(N=NC(C)c2cn(CC(=O)[O-])nn2)c1	ZINC000825804428	613657014	/nfs/dbraw/zinc/65/70/14/613657014.db2.gz	JDPQGWCKAMMWIB-UHFFFAOYSA-N	-1	0	274.284	0.902	20	30		CCEDRM
C=CCNC(=O)CNC(=O)c1[nH]c(C)c(C(=O)[O-])c1C	ZINC000833376594	613846743	/nfs/dbraw/zinc/84/67/43/613846743.db2.gz	IZUSXCKSRQLMAO-UHFFFAOYSA-N	-1	0	279.296	0.362	20	30		CCEDRM
C=CCNC(=O)NC(=O)[C@@H](C)OC(=O)[C@@H](C)CC(=O)[O-]	ZINC000825687760	613851442	/nfs/dbraw/zinc/85/14/42/613851442.db2.gz	VIYHJHDEQHZZLF-JGVFFNPUSA-N	-1	0	286.284	0.041	20	30		CCEDRM
C=CCNC(=O)NC(=O)[C@H](C)N1CC[C@H](N(C)C(=O)[O-])C1	ZINC000823506931	613851785	/nfs/dbraw/zinc/85/17/85/613851785.db2.gz	PIZFAUWLUUNHMV-UWVGGRQHSA-N	-1	0	298.343	0.071	20	30		CCEDRM
C=CCNC(=O)C(C#N)=C([O-])c1ccnn1CCC	ZINC000850761037	613852947	/nfs/dbraw/zinc/85/29/47/613852947.db2.gz	ZNKMJPLKYKXRPK-JTQLQIEISA-N	-1	0	260.297	0.918	20	30		CCEDRM
C=CCNC(=O)C(C#N)=C([O-])c1cnc2c(c1)c(C)nn2C	ZINC000916918391	613853003	/nfs/dbraw/zinc/85/30/03/613853003.db2.gz	SSFKPGBQMXZTNY-LBPRGKRZSA-N	-1	0	297.318	0.901	20	30		CCEDRM
C=CCNC(=O)C(C#N)=C([O-])c1cn(C2CCC2)nn1	ZINC000842687008	613853057	/nfs/dbraw/zinc/85/30/57/613853057.db2.gz	SAZYYTIQFZLAAY-JTQLQIEISA-N	-1	0	273.296	0.628	20	30		CCEDRM
C=CCNC(=O)C(C#N)=C([O-])c1cncc(N2CCCC2)n1	ZINC000870141220	613854993	/nfs/dbraw/zinc/85/49/93/613854993.db2.gz	UPFRDRPIJDFTNC-LLVKDONJSA-N	-1	0	299.334	0.701	20	30		CCEDRM
C=CCOCC(=O)N1C[C@@H]2CCC[C@H]2[C@H]1C(=O)[O-]	ZINC000909675227	613879267	/nfs/dbraw/zinc/87/92/67/613879267.db2.gz	FALWJOKRFFRUSL-UMNHJUIQSA-N	-1	0	253.298	0.901	20	30		CCEDRM
C=CCOC[C@@H](NC(=O)C1(c2ccccn2)CC1)C(=O)[O-]	ZINC000909766409	613881538	/nfs/dbraw/zinc/88/15/38/613881538.db2.gz	IQJGPWVCYAHTPG-LLVKDONJSA-N	-1	0	290.319	0.885	20	30		CCEDRM
C=CCOC[C@@H](NC(=O)[C@@H](O)C1CCCCC1)C(=O)[O-]	ZINC000909769498	613881739	/nfs/dbraw/zinc/88/17/39/613881739.db2.gz	CTDOFKIYLCDWBF-NEPJUHHUSA-N	-1	0	285.340	0.700	20	30		CCEDRM
C=CCOC[C@@H](NC(=O)[C@@H](C(C)C)[NH+](C)C)C(=O)[O-]	ZINC000909772272	613881803	/nfs/dbraw/zinc/88/18/03/613881803.db2.gz	WQTMKKVEXWJCMF-GHMZBOCLSA-N	-1	0	272.345	0.345	20	30		CCEDRM
C=CCOC[C@H](NC(=O)COC1(C)CCC1)C(=O)[O-]	ZINC000836752324	613882396	/nfs/dbraw/zinc/88/23/96/613882396.db2.gz	FQSLPXAKRKNDIG-JTQLQIEISA-N	-1	0	271.313	0.718	20	30		CCEDRM
C=CCO[N-]C(=O)CN1CCN(C(=O)OC(C)(C)C)CC1	ZINC000868763944	613883180	/nfs/dbraw/zinc/88/31/80/613883180.db2.gz	TWSDREGIXBJEOH-UHFFFAOYSA-N	-1	0	299.371	0.773	20	30		CCEDRM
C=CCO[N-]C(=O)CN1C(=O)N[C@@]2(CCCC[C@H]2C)C1=O	ZINC000837043502	613883185	/nfs/dbraw/zinc/88/31/85/613883185.db2.gz	AWFIWVTTWQNUKB-QMTHXVAHSA-N	-1	0	295.339	0.721	20	30		CCEDRM
C=CCO[N-]C(=O)[C@H](C)N1C(=O)NC2(CCCC2)C1=O	ZINC000837046852	613884400	/nfs/dbraw/zinc/88/44/00/613884400.db2.gz	QPOHSPZGISRJPL-VIFPVBQESA-N	-1	0	281.312	0.473	20	30		CCEDRM
C=CCO[N-]C(=O)[C@@H]1CCCN1C(=O)C(F)(F)F	ZINC000837048405	613884429	/nfs/dbraw/zinc/88/44/29/613884429.db2.gz	OXRPYXGTFHMZMD-ZETCQYMHSA-N	-1	0	266.219	0.774	20	30		CCEDRM
C=CCS(=O)(=O)[N-]C(=O)CCCC(=O)NCCC	ZINC000132780045	613886120	/nfs/dbraw/zinc/88/61/20/613886120.db2.gz	AQVIYZCAUVSKMZ-UHFFFAOYSA-N	-1	0	276.358	0.315	20	30		CCEDRM
C=CCS(=O)(=O)[N-]C(=O)/C=C/COC1CCOCC1	ZINC000870256082	613886143	/nfs/dbraw/zinc/88/61/43/613886143.db2.gz	CMZCIPWCPFITPO-ONEGZZNKSA-N	-1	0	289.353	0.370	20	30		CCEDRM
C=CCS(=O)(=O)[N-]C(=O)[C@@H](CCC(C)C)NC(C)=O	ZINC000850913987	613886178	/nfs/dbraw/zinc/88/61/78/613886178.db2.gz	YFCZHIBMWBASJM-LLVKDONJSA-N	-1	0	290.385	0.559	20	30		CCEDRM
C=CCS(=O)(=O)[N-]C(=O)c1cccn(C(C)(C)C)c1=O	ZINC000870256443	613886308	/nfs/dbraw/zinc/88/63/08/613886308.db2.gz	ICMOEQIPRXUWDX-UHFFFAOYSA-N	-1	0	298.364	0.849	20	30		CCEDRM
C=CCS(=O)(=O)[N-]C(=O)c1cccn(C2CC2)c1=O	ZINC000870256630	613886350	/nfs/dbraw/zinc/88/63/50/613886350.db2.gz	KJYYVAGTGQKDNS-UHFFFAOYSA-N	-1	0	282.321	0.429	20	30		CCEDRM
C=CCS(=O)(=O)[N-]C(=O)c1cnc(C2CC2)o1	ZINC000892883811	613886365	/nfs/dbraw/zinc/88/63/65/613886365.db2.gz	ZTOKXARWAJDDLC-UHFFFAOYSA-N	-1	0	256.283	0.798	20	30		CCEDRM
CC(C)(C)OC(=O)CN1CCN(C(=O)[O-])C[C@H]1C#N	ZINC000823785723	613965708	/nfs/dbraw/zinc/96/57/08/613965708.db2.gz	PZQTUZUYJVVICP-SECBINFHSA-N	-1	0	269.301	0.516	20	30		CCEDRM
CC(C)(C)OC(=O)C[C@@](C)(C#N)C(=O)NCC(=O)[O-]	ZINC000819915070	613970313	/nfs/dbraw/zinc/97/03/13/613970313.db2.gz	SVENTYDTZJGOKW-LBPRGKRZSA-N	-1	0	270.285	0.449	20	30		CCEDRM
CC(C)OCCON=Cc1cc(C(=O)[O-])nn1C	ZINC000901246871	614018196	/nfs/dbraw/zinc/01/81/96/614018196.db2.gz	SLVVWSZAAUVXSY-UHFFFAOYSA-N	-1	0	255.274	0.894	20	30		CCEDRM
CC(C)(C)[C@@H](O)CNC(=O)[C@](C)(C#N)CC(=O)[O-]	ZINC000819833943	614025291	/nfs/dbraw/zinc/02/52/91/614025291.db2.gz	KQKLJHDQDMGCTE-UFBFGSQYSA-N	-1	0	256.302	0.514	20	30		CCEDRM
CC(C)Oc1ccc(C#N)cc1NCC(=O)NCC(=O)[O-]	ZINC000820032861	614054870	/nfs/dbraw/zinc/05/48/70/614054870.db2.gz	LRWVGLXRQXCRMI-UHFFFAOYSA-N	-1	0	291.307	0.958	20	30		CCEDRM
CC(C)[C@@H](CNC(=O)c1cc(C#N)c[nH]1)NC(=O)[O-]	ZINC000824122209	614097159	/nfs/dbraw/zinc/09/71/59/614097159.db2.gz	DJHANPFTCZSZHK-SNVBAGLBSA-N	-1	0	264.285	0.908	20	30		CCEDRM
CC(C)[C@@H]1CN(C(=O)[C@](C)(C#N)CC(=O)[O-])CCO1	ZINC000819962067	614161877	/nfs/dbraw/zinc/16/18/77/614161877.db2.gz	JHHQTNGKEGTSCR-GWCFXTLKSA-N	-1	0	268.313	0.874	20	30		CCEDRM
CC(C)[C@H](C#N)[N-]S(=O)(=O)N=S1(=O)CCCC1	ZINC000906063228	614187908	/nfs/dbraw/zinc/18/79/08/614187908.db2.gz	FTAVCISAPGUANK-VIFPVBQESA-N	-1	0	279.387	0.631	20	30		CCEDRM
CC(C)[C@H](CO)ONC(=O)c1ccc(C#N)c([O-])c1	ZINC000836900121	614214959	/nfs/dbraw/zinc/21/49/59/614214959.db2.gz	ROPOHZQMMQGIFJ-LBPRGKRZSA-N	-1	0	264.281	0.942	20	30		CCEDRM
CC(C)[C@H](NC=O)C(=O)Nc1cc(C#N)ccc1[O-]	ZINC000860444484	614246278	/nfs/dbraw/zinc/24/62/78/614246278.db2.gz	AJLVWIWTODSZEB-LBPRGKRZSA-N	-1	0	261.281	0.973	20	30		CCEDRM
CC(C)[C@H](N[C@H](C(=O)[O-])c1cccc(C#N)c1)C(N)=O	ZINC000826715811	614251067	/nfs/dbraw/zinc/25/10/67/614251067.db2.gz	GOZVEECMNDQQNH-RYUDHWBXSA-N	-1	0	275.308	0.783	20	30		CCEDRM
CC(C)(C#N)CC(=O)[N-]S(=O)(=O)C[C@H]1CCCOC1	ZINC000803001769	614285172	/nfs/dbraw/zinc/28/51/72/614285172.db2.gz	YJJFRANVAUQXOO-JTQLQIEISA-N	-1	0	288.369	0.799	20	30		CCEDRM
CC(C)N(CC(=O)[O-])C(=O)[C@@H](O)c1ccc(C#N)cc1	ZINC000819996374	614287354	/nfs/dbraw/zinc/28/73/54/614287354.db2.gz	LHURFOHJLHIFKO-ZDUSSCGKSA-N	-1	0	276.292	0.913	20	30		CCEDRM
CC(C)c1nc(CN2CCN(C(=O)[O-])C[C@@H]2C#N)no1	ZINC000824488338	614320989	/nfs/dbraw/zinc/32/09/89/614320989.db2.gz	PFCPVKPKOBOZKY-VIFPVBQESA-N	-1	0	279.300	0.881	20	30		CCEDRM
CCCc1noc(CN2CCN(C(=O)[O-])C[C@@H]2C#N)n1	ZINC000826960015	614501072	/nfs/dbraw/zinc/50/10/72/614501072.db2.gz	XUNFCXKENKRKOK-VIFPVBQESA-N	-1	0	279.300	0.710	20	30		CCEDRM
CCC(CC)NN=C(C)c1cn(CC(=O)[O-])nn1	ZINC000828863038	614575719	/nfs/dbraw/zinc/57/57/19/614575719.db2.gz	SMXQJTMUDQTBGH-UHFFFAOYSA-N	-1	0	253.306	0.865	20	30		CCEDRM
CC1(C)C[C@@H](S(=O)(=O)[N-]C(=O)CSCC#N)CO1	ZINC000861142501	614750432	/nfs/dbraw/zinc/75/04/32/614750432.db2.gz	ANIYDIYYSWMDON-MRVPVSSYSA-N	-1	0	292.382	0.257	20	30		CCEDRM
C[C@@](C#N)(CC(=O)[O-])C(=O)N[C@H]1CC(C)(C)OC1=O	ZINC000820205815	614776643	/nfs/dbraw/zinc/77/66/43/614776643.db2.gz	ABDBVMBTYQRZFO-MADCSZMMSA-N	-1	0	268.269	0.201	20	30		CCEDRM
CCC(=O)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1C#N	ZINC000816126298	614853905	/nfs/dbraw/zinc/85/39/05/614853905.db2.gz	BGQIRGIOUUSESZ-UHFFFAOYSA-N	-1	0	283.265	0.681	20	30		CCEDRM
CCN(C)S(=O)(=O)[N-]C(=O)c1ccc(C)c(C#N)c1	ZINC000799613594	614884237	/nfs/dbraw/zinc/88/42/37/614884237.db2.gz	YGZYGQQSSARNCP-UHFFFAOYSA-N	-1	0	281.337	0.793	20	30		CCEDRM
CCCCCCCS(=O)(=O)NCC(=O)[N-]OC	ZINC000921687369	614903534	/nfs/dbraw/zinc/90/35/34/614903534.db2.gz	CYOPPEIJVIDUFQ-UHFFFAOYSA-N	-1	0	266.363	0.554	20	30		CCEDRM
CCN(C[C@H](C)C#N)C(=O)CN(C)[C@@H]1CCN(C(=O)[O-])C1	ZINC000827020509	615064333	/nfs/dbraw/zinc/06/43/33/615064333.db2.gz	VYCSTEIZSLHJPD-VXGBXAGGSA-N	-1	0	296.371	0.679	20	30		CCEDRM
CCOC(=O)[C@H](C)CNC(=O)[C@@](C)(C#N)CC(=O)[O-]	ZINC000820360663	615338148	/nfs/dbraw/zinc/33/81/48/615338148.db2.gz	AQAANEZDMQMKJK-PRHODGIISA-N	-1	0	270.285	0.306	20	30		CCEDRM
CCO[N-]C(=O)CNC(=O)NCc1cc(C#N)ccc1F	ZINC000845545973	615364311	/nfs/dbraw/zinc/36/43/11/615364311.db2.gz	UMNMZPTXYQFIPY-UHFFFAOYSA-N	-1	0	294.286	0.564	20	30		CCEDRM
CCO[N-]C(=O)CNC(=O)Nc1ccc(F)c(C#N)c1	ZINC000844529779	615367557	/nfs/dbraw/zinc/36/75/57/615367557.db2.gz	WYDUDTPNEXUVMU-UHFFFAOYSA-N	-1	0	280.259	0.887	20	30		CCEDRM
CCO[N-]C(=O)CNC(=O)[C@]1(C#N)CC2CCC1CC2	ZINC000911899327	615370339	/nfs/dbraw/zinc/37/03/39/615370339.db2.gz	WQEFXXMEBSCHDV-MGULZYLOSA-N	-1	0	279.340	0.890	20	30		CCEDRM
CCO[C@H]1C[C@H]1C(=O)[N-]S(=O)(=O)c1cncc(C#N)c1	ZINC000813984091	615496796	/nfs/dbraw/zinc/49/67/96/615496796.db2.gz	NQKYYCVAXRDIEB-MNOVXSKESA-N	-1	0	295.320	0.183	20	30		CCEDRM
CC[C@@H](NN=C(C)C[C@@H]1CCCC(=O)N1)C(=O)[O-]	ZINC000841641810	615536302	/nfs/dbraw/zinc/53/63/02/615536302.db2.gz	AEUROINCFMBQHG-VHSXEESVSA-N	-1	0	255.318	0.874	20	30		CCEDRM
CC[C@H](/N=C/c1c(O)c(C)ncc1CO)C(=O)[O-]	ZINC000828901541	615599747	/nfs/dbraw/zinc/59/97/47/615599747.db2.gz	VMMZSRATBUUVRX-ZFGNZVLRSA-N	-1	0	252.270	0.870	20	30		CCEDRM
CCn1nc(C)c(C([O-])=C(C#N)C(=O)N2CCCC2)n1	ZINC000815904338	615650622	/nfs/dbraw/zinc/65/06/22/615650622.db2.gz	CHVMILXFHXISLI-JTQLQIEISA-N	-1	0	275.312	0.551	20	30		CCEDRM
CCn1ncc(CNS(=O)(=O)c2ccsc2C#N)n1	ZINC000859250137	615709691	/nfs/dbraw/zinc/70/96/91/615709691.db2.gz	QAHDRJQDWXDQKI-UHFFFAOYSA-N	-1	0	297.365	0.710	20	30		CCEDRM
CC[C@H](CNS(=O)(=O)N(C)[C@H](C)CC#N)C(=O)[O-]	ZINC000844783844	615726578	/nfs/dbraw/zinc/72/65/78/615726578.db2.gz	GGMBEUZKQGXPBF-RKDXNWHRSA-N	-1	0	277.346	0.166	20	30		CCEDRM
CCc1nnc([C@H](C)NC(=O)[C@](C)(C#N)CC(=O)[O-])[nH]1	ZINC000820492857	615756640	/nfs/dbraw/zinc/75/66/40/615756640.db2.gz	SCSKLNMPKDMUND-MADCSZMMSA-N	-1	0	279.300	0.549	20	30		CCEDRM
CN(C(=O)CSCC(=O)[O-])[C@H]1CCC[C@@H]1C#N	ZINC000902339792	615819396	/nfs/dbraw/zinc/81/93/96/615819396.db2.gz	XBFGTZWXDCJFLO-BDAKNGLRSA-N	-1	0	256.327	0.955	20	30		CCEDRM
CN(C(=O)[C@@]1(F)CCN(C(=O)[O-])C1)C1(C#N)CCC1	ZINC000827737472	615871714	/nfs/dbraw/zinc/87/17/14/615871714.db2.gz	BCWMSRPEZOWRHT-GFCCVEGCSA-N	-1	0	269.276	0.983	20	30		CCEDRM
CC[C@](C)(C#N)C(=O)NCC1(C(=O)[O-])CCOCC1	ZINC000923076021	615941963	/nfs/dbraw/zinc/94/19/63/615941963.db2.gz	NJPRHEPKNAKLSJ-GFCCVEGCSA-N	-1	0	268.313	0.924	20	30		CCEDRM
CN(C)C(=O)CN(C)[C@H](C(=O)[O-])c1cccc(C#N)c1	ZINC000830551857	615960463	/nfs/dbraw/zinc/96/04/63/615960463.db2.gz	NWZPIRUHENNDJQ-ZDUSSCGKSA-N	-1	0	275.308	0.704	20	30		CCEDRM
CN(C)c1ccc(CNC(=O)[C@@](C)(C#N)CC(=O)[O-])cn1	ZINC000820547956	616015450	/nfs/dbraw/zinc/01/54/50/616015450.db2.gz	QCBKISANBUNGRD-CQSZACIVSA-N	-1	0	290.323	0.768	20	30		CCEDRM
CN(CC#N)C(=O)C[C@H]1CSCCN1C(=O)[O-]	ZINC000828085637	616039741	/nfs/dbraw/zinc/03/97/41/616039741.db2.gz	IECHHFUUPHTVEZ-QMMMGPOBSA-N	-1	0	257.315	0.454	20	30		CCEDRM
CN(CCC(=O)[O-])C(=O)CNc1ccc(C#N)cc1	ZINC000818423376	616068742	/nfs/dbraw/zinc/06/87/42/616068742.db2.gz	SVVKFOYOWGHYFT-UHFFFAOYSA-N	-1	0	261.281	0.903	20	30		CCEDRM
CN(CCCn1ccnc1)C(=O)[C@@](C)(C#N)CC(=O)[O-]	ZINC000820597547	616076554	/nfs/dbraw/zinc/07/65/54/616076554.db2.gz	WSZHKABURFRWQN-CYBMUJFWSA-N	-1	0	278.312	0.736	20	30		CCEDRM
CN(C[C@@H]1CCN(C(=O)c2cc(C#N)cn2C)C1)C(=O)[O-]	ZINC000828252651	616139016	/nfs/dbraw/zinc/13/90/16/616139016.db2.gz	AHQLENKRMHNQEI-JTQLQIEISA-N	-1	0	290.323	0.969	20	30		CCEDRM
CN1CC[C@](C)(C(=O)[N-]Oc2cccc(C#N)c2)C1=O	ZINC000825267399	616452354	/nfs/dbraw/zinc/45/23/54/616452354.db2.gz	JSJWNUYKGVHYTL-CQSZACIVSA-N	-1	0	273.292	0.837	20	30		CCEDRM
COCCOC[C@@H]1CCN(C(=O)[C@@](C)(C#N)CC(=O)[O-])C1	ZINC000820733082	616561994	/nfs/dbraw/zinc/56/19/94/616561994.db2.gz	LUDKOHACWVMJMF-BXUZGUMPSA-N	-1	0	298.339	0.502	20	30		CCEDRM
CNC(=O)COC(=O)CCc1c(C)[nH]c(=O)c(C#N)c1C	ZINC000017222969	616656545	/nfs/dbraw/zinc/65/65/45/616656545.db2.gz	LBAQMMXPKMCKIY-UHFFFAOYSA-N	-1	0	291.307	0.085	20	30		CCEDRM
COCC(COC)NN=Cc1ccccc1OCC(=O)[O-]	ZINC000863197878	616736472	/nfs/dbraw/zinc/73/64/72/616736472.db2.gz	IBCGPEYPHHPIEX-UHFFFAOYSA-N	-1	0	296.323	0.735	20	30		CCEDRM
COCCn1ccc(NC(=O)[C@](C)(C#N)CC(=O)[O-])n1	ZINC000820738688	616746158	/nfs/dbraw/zinc/74/61/58/616746158.db2.gz	RXYVEHJHKBWTIH-LBPRGKRZSA-N	-1	0	280.284	0.473	20	30		CCEDRM
COC[C@@H](C#N)OC(=O)c1cc(F)cc2n[nH]nc21	ZINC000800258829	616774460	/nfs/dbraw/zinc/77/44/60/616774460.db2.gz	FNMDJSYMYJQLNS-SSDOTTSWSA-N	-1	0	264.216	0.792	20	30		CCEDRM
CNC(=O)C(C#N)=C([O-])c1ccc(Cn2cccn2)o1	ZINC000917005306	616776722	/nfs/dbraw/zinc/77/67/22/616776722.db2.gz	RMPOMZVEKIKNPW-JTQLQIEISA-N	-1	0	272.264	0.593	20	30		CCEDRM
CNC(=O)C(C#N)=C([O-])c1cc(C(F)(F)F)ncn1	ZINC000870153308	616777187	/nfs/dbraw/zinc/77/71/87/616777187.db2.gz	OVHLDOVSSHGKLR-YFKPBYRVSA-N	-1	0	272.186	0.564	20	30		CCEDRM
CNC(=O)C(C#N)=C([O-])c1cc(Cl)nc(N(C)C)c1	ZINC000113653742	616777288	/nfs/dbraw/zinc/77/72/88/616777288.db2.gz	UGNRNXROUIGXEC-QMMMGPOBSA-N	-1	0	280.715	0.869	20	30		CCEDRM
CNC(=O)C(C#N)=C([O-])c1ccc2c(c1)SCC(=O)N2	ZINC000810534525	616777775	/nfs/dbraw/zinc/77/77/75/616777775.db2.gz	VJPZMHYMVZYBMF-QMMMGPOBSA-N	-1	0	289.316	0.799	20	30		CCEDRM
COCC1(S(=O)(=O)[N-][C@H](CC#N)C(F)(F)F)CC1	ZINC000901771568	616803485	/nfs/dbraw/zinc/80/34/85/616803485.db2.gz	KVRACKRIOBPFEO-SSDOTTSWSA-N	-1	0	286.275	0.929	20	30		CCEDRM
COC[C@](C)(C#N)NC(=O)[C@H]1CCCN(C(=O)[O-])C1	ZINC000828885301	616817381	/nfs/dbraw/zinc/81/73/81/616817381.db2.gz	BMTAUPKEHXTGHN-CABZTGNLSA-N	-1	0	269.301	0.421	20	30		CCEDRM
COC(=O)c1cc(C([O-])=C(C#N)C(=O)NC(C)C)c[nH]1	ZINC000815909658	616834831	/nfs/dbraw/zinc/83/48/31/616834831.db2.gz	FNEJYUXPGWXMBE-SECBINFHSA-N	-1	0	277.280	0.648	20	30		CCEDRM
CNC(=O)C(C#N)=C([O-])c1cccc(OCC(F)F)n1	ZINC000127897847	616839334	/nfs/dbraw/zinc/83/93/34/616839334.db2.gz	JKYZESRHIPIGEA-SSDOTTSWSA-N	-1	0	283.234	0.794	20	30		CCEDRM
CNC(=O)C(C#N)=C([O-])c1ccc([N+](=O)[O-])c(OC)c1	ZINC000102121506	616839718	/nfs/dbraw/zinc/83/97/18/616839718.db2.gz	CPUFZYPPJCWKKY-MRVPVSSYSA-N	-1	0	277.236	0.672	20	30		CCEDRM
COC(=O)c1cc(C=NNc2nnc(C)c(=O)[n-]2)on1	ZINC000814734504	616843818	/nfs/dbraw/zinc/84/38/18/616843818.db2.gz	DSAFVPZDQVWMAO-UHFFFAOYSA-N	-1	0	278.228	0.106	20	30		CCEDRM
COCCCNC(=O)C(C#N)=C([O-])c1cnn(C2CC2)c1	ZINC000860460950	616898354	/nfs/dbraw/zinc/89/83/54/616898354.db2.gz	CBTXSPPSWXYMKD-LBPRGKRZSA-N	-1	0	290.323	0.693	20	30		CCEDRM
CO[C@@](C)(C(=O)[N-]S(=O)(=O)CCC#N)c1ccccc1	ZINC000835411193	616898747	/nfs/dbraw/zinc/89/87/47/616898747.db2.gz	KAVYQTWCBCQBTN-CYBMUJFWSA-N	-1	0	296.348	0.908	20	30		CCEDRM
COCCN(CC(=O)O[C@H](C#N)C1CC1)C(=O)[O-]	ZINC000828980103	616987456	/nfs/dbraw/zinc/98/74/56/616987456.db2.gz	SRWZMBUNWILXRJ-SECBINFHSA-N	-1	0	256.258	0.458	20	30		CCEDRM
COCCN(CCC(=O)[O-])c1nnc(C)c(C)c1C#N	ZINC000900980087	616997888	/nfs/dbraw/zinc/99/78/88/616997888.db2.gz	ZVXVXPMBEHWESR-UHFFFAOYSA-N	-1	0	278.312	0.893	20	30		CCEDRM
COC[C@@](C)(C#N)NC(=O)c1ccc(CNC(=O)[O-])o1	ZINC000828885295	617011970	/nfs/dbraw/zinc/01/19/70/617011970.db2.gz	BJXNCKZCLBNWJV-GFCCVEGCSA-N	-1	0	281.268	0.706	20	30		CCEDRM
COC[C@H](C#N)OC(=O)[C@H]1CC[C@@H](NC(=O)[O-])C1	ZINC000833881718	617047288	/nfs/dbraw/zinc/04/72/88/617047288.db2.gz	CEKMFUGGVDBUFO-YIZRAAEISA-N	-1	0	256.258	0.504	20	30		CCEDRM
COC[C@H](C)NC(=S)NN=Cc1c[nH]c(C(=O)[O-])c1	ZINC000814733274	617077992	/nfs/dbraw/zinc/07/79/92/617077992.db2.gz	OJYYEVIFJLWEBA-ZETCQYMHSA-N	-1	0	284.341	0.546	20	30		CCEDRM
CO[C@H](C)c1noc(COC(=O)[C@@](C)(C#N)CC(=O)[O-])n1	ZINC000820697044	617079699	/nfs/dbraw/zinc/07/96/99/617079699.db2.gz	RATNPIJQSLFMNE-JMCQJSRRSA-N	-1	0	297.267	0.825	20	30		CCEDRM
CO[C@H](CS(=O)(=O)[N-]c1c(C#N)c(C)nn1C)C1CC1	ZINC000903173587	617093183	/nfs/dbraw/zinc/09/31/83/617093183.db2.gz	QSFAVRRUBGZJCT-LLVKDONJSA-N	-1	0	298.368	0.767	20	30		CCEDRM
CO[N-]C(=O)CNC(=O)C[C@@H](CC#N)c1ccccc1	ZINC000832754098	617110339	/nfs/dbraw/zinc/11/03/39/617110339.db2.gz	YQZBXNSIKYUMTH-GFCCVEGCSA-N	-1	0	275.308	0.868	20	30		CCEDRM
CO[N-]C(=O)CNC(=O)N1Cc2ccc(C#N)cc2C1	ZINC000927215908	617112152	/nfs/dbraw/zinc/11/21/52/617112152.db2.gz	CFDPAKMNUVRCLU-UHFFFAOYSA-N	-1	0	274.280	0.261	20	30		CCEDRM
CO[C@](C)(C(=O)[O-])C(=O)N[C@@H]1Cc2ccc(C#N)cc2C1	ZINC000902545982	617125337	/nfs/dbraw/zinc/12/53/37/617125337.db2.gz	OMEZMCHSXJOZLK-DOMZBBRYSA-N	-1	0	288.303	0.631	20	30		CCEDRM
C#C[C@@H](C)NS(=O)(=O)c1ccc(C)c(C(=O)[O-])c1	ZINC000122959169	625406052	/nfs/dbraw/zinc/40/60/52/625406052.db2.gz	XZSCNGVATQZNQX-SECBINFHSA-N	-1	0	267.306	0.993	20	30		CCEDRM
N#CCN1CCC(N=c2nn[n-]n2Cc2ccccc2)CC1	ZINC000892402946	623156207	/nfs/dbraw/zinc/15/62/07/623156207.db2.gz	GVANVLAZKUFIHU-UHFFFAOYSA-N	-1	0	297.366	0.543	20	30		CCEDRM
Cc1n[nH]c(C(=O)N[C@H]2CN(CC#N)CC2(C)C)c1[O-]	ZINC000973048821	623580219	/nfs/dbraw/zinc/58/02/19/623580219.db2.gz	UWKHEUAWEPIJFV-VIFPVBQESA-N	-1	0	277.328	0.388	20	30		CCEDRM
Cc1cc(S(=O)(=O)NC/C=C\C(=O)[O-])ccc1C#N	ZINC000311331508	623711099	/nfs/dbraw/zinc/71/10/99/623711099.db2.gz	DDRZBKIRVAIETI-IHWYPQMZSA-N	-1	0	280.305	0.786	20	30		CCEDRM
C=CCN(CC(=O)[O-])C(=O)CNC(=O)c1ccccc1	ZINC000092461707	624851293	/nfs/dbraw/zinc/85/12/93/624851293.db2.gz	AYVSTWNTACIFGC-UHFFFAOYSA-N	-1	0	276.292	0.516	20	30		CCEDRM
Cn1cc(C#N)cc1C(=O)[N-]S(=O)(=O)Cc1ccon1	ZINC000176188181	625009814	/nfs/dbraw/zinc/00/98/14/625009814.db2.gz	FRVQJIRMXRTXTI-UHFFFAOYSA-N	-1	0	294.292	0.145	20	30		CCEDRM
N#CC1(CS(=O)(=O)N2CCCC[C@@H]2CC(=O)[O-])CC1	ZINC000905190578	634813442	/nfs/dbraw/zinc/81/34/42/634813442.db2.gz	WHFWTLNJGMIGNF-SNVBAGLBSA-N	-1	0	286.353	0.949	20	30		CCEDRM
Cc1n[nH]c(C(=O)N[C@@H]2CCC[C@H](NCC#N)C2)c1[O-]	ZINC000981019599	631221105	/nfs/dbraw/zinc/22/11/05/631221105.db2.gz	FKDNPRLPFGSAGF-VHSXEESVSA-N	-1	0	277.328	0.578	20	30		CCEDRM
C=CCN(CC(=O)[O-])C(=O)N[C@H](C)[C@@H]1CCOC1	ZINC000166614462	632065818	/nfs/dbraw/zinc/06/58/18/632065818.db2.gz	TYTSMYCHUKLWRB-NXEZZACHSA-N	-1	0	256.302	0.694	20	30		CCEDRM
C[C@@H](CNS(=O)(=O)Cc1ccccc1C#N)C(=O)[O-]	ZINC000054333743	632642509	/nfs/dbraw/zinc/64/25/09/632642509.db2.gz	NSFFDWUEFHCBIQ-VIFPVBQESA-N	-1	0	282.321	0.698	20	30		CCEDRM
C=CCN(CC(=O)[O-])C(=O)c1ccc(C(N)=O)s1	ZINC000191250335	633218201	/nfs/dbraw/zinc/21/82/01/633218201.db2.gz	ULTSZBHAXRVVFA-UHFFFAOYSA-N	-1	0	268.294	0.560	20	30		CCEDRM
N#Cc1ccc(N2C[C@@H](C(=O)[O-])[C@H](C3CC3)C2)nn1	ZINC000900401664	634011399	/nfs/dbraw/zinc/01/13/99/634011399.db2.gz	WIWMBYWHHBCNIO-WDEREUQCSA-N	-1	0	258.281	0.895	20	30		CCEDRM
Cn1ncc(C(=O)[O-])c1C(=O)N1CC[C@](C)(C#N)C1	ZINC000902084508	634306040	/nfs/dbraw/zinc/30/60/40/634306040.db2.gz	UKEIAQRHHJDQNJ-GFCCVEGCSA-N	-1	0	262.269	0.494	20	30		CCEDRM
C[C@H]1CN(S(=O)(=O)CC(C)(C)C#N)CC[C@@H]1C(=O)[O-]	ZINC000905991499	634945571	/nfs/dbraw/zinc/94/55/71/634945571.db2.gz	RCBQZYCMLDCKEK-UWVGGRQHSA-N	-1	0	288.369	0.909	20	30		CCEDRM
CCC[C@H](C#N)[N-]S(=O)(=O)N=[S@](C)(=O)CC	ZINC000906061403	634954780	/nfs/dbraw/zinc/95/47/80/634954780.db2.gz	RGHXZRMXPVNDBS-ANRSDYALSA-N	-1	0	267.376	0.631	20	30		CCEDRM
C[C@@H](CC#N)C(=O)N1CCSC[C@@H]1c1nnn[n-]1	ZINC000907480133	635140723	/nfs/dbraw/zinc/14/07/23/635140723.db2.gz	LMSPMTWSATWSFL-JGVFFNPUSA-N	-1	0	266.330	0.366	20	30		CCEDRM
O=C([O-])[C@@]1(C(=O)NCC#CCO)C[C@@H]1c1ccccc1	ZINC000907827316	635216607	/nfs/dbraw/zinc/21/66/07/635216607.db2.gz	ZDGBSQMUDFIOOR-DOMZBBRYSA-N	-1	0	273.288	0.357	20	30		CCEDRM
C#CCCS(=O)(=O)NC1(c2nc(C)no2)CC1	ZINC000907865329	635228904	/nfs/dbraw/zinc/22/89/04/635228904.db2.gz	RGGOZUUTGBBKQT-UHFFFAOYSA-N	-1	0	255.299	0.310	20	30		CCEDRM
C#CCSCCNC(=O)N(C)[C@H](COCC)C(=O)[O-]	ZINC000909051935	635504367	/nfs/dbraw/zinc/50/43/67/635504367.db2.gz	IJNCGRUMTHLQCZ-SNVBAGLBSA-N	-1	0	288.369	0.484	20	30		CCEDRM
C#CCCCCNC(=O)c1ccnc2c(C(=O)[O-])cnn21	ZINC000911400837	636253653	/nfs/dbraw/zinc/25/36/53/636253653.db2.gz	IARNOILLZPCJBR-UHFFFAOYSA-N	-1	0	286.291	0.961	20	30		CCEDRM
CNC(=O)C(C#N)=C([O-])c1cccc(-n2ccnn2)c1	ZINC000165589744	636906780	/nfs/dbraw/zinc/90/67/80/636906780.db2.gz	RHPMBXWOWIGDPO-NSHDSACASA-N	-1	0	269.264	0.336	20	30		CCEDRM
N#Cc1ccc(S(=O)(=O)[N-]C(=O)[C@@H]2CCCOC2)cc1	ZINC000171032975	637112955	/nfs/dbraw/zinc/11/29/55/637112955.db2.gz	YVDZYOGNUIZNLP-LLVKDONJSA-N	-1	0	294.332	0.790	20	30		CCEDRM
N#Cc1nc(NC(=O)c2cn3cccnc3n2)[n-]c1C#N	ZINC000917098640	637951212	/nfs/dbraw/zinc/95/12/12/637951212.db2.gz	MIACDXBZCSOYHF-UHFFFAOYSA-N	-1	0	278.235	0.448	20	30		CCEDRM
C=CCCCC(=O)[N-]S(=O)(=O)N1CCOCC1	ZINC000175175298	638197140	/nfs/dbraw/zinc/19/71/40/638197140.db2.gz	KWSHWNWUQFWOLA-UHFFFAOYSA-N	-1	0	262.331	0.036	20	30		CCEDRM
Cc1ccc(C(=O)[N-]S(=O)(=O)N2CCCC2)c(=O)[nH]1	ZINC000068723573	638270044	/nfs/dbraw/zinc/27/00/44/638270044.db2.gz	DWIQFUGSIZCYQB-UHFFFAOYSA-N	-1	0	285.325	0.329	20	30		CCEDRM
CC[C@H](C)OCC(=O)[N-]S(=O)(=O)CCCC#N	ZINC000181262642	638326379	/nfs/dbraw/zinc/32/63/79/638326379.db2.gz	OEXZBGRFLLXJGN-VIFPVBQESA-N	-1	0	262.331	0.551	20	30		CCEDRM
CCc1nn(C)cc1C(=O)[N-]S(=O)(=O)CCCC#N	ZINC000181272301	638328370	/nfs/dbraw/zinc/32/83/70/638328370.db2.gz	MQFCAGAAANYERX-UHFFFAOYSA-N	-1	0	284.341	0.346	20	30		CCEDRM
CCn1cc(C(=O)[N-]S(=O)(=O)CCCC#N)cn1	ZINC000181280279	638329121	/nfs/dbraw/zinc/32/91/21/638329121.db2.gz	FUIVQUHEMYJSIO-UHFFFAOYSA-N	-1	0	270.314	0.266	20	30		CCEDRM
O=C(N[C@@H]1CCN(O)C1=O)c1ncc(F)cc1F	ZINC000820143095	638864672	/nfs/dbraw/zinc/86/46/72/638864672.db2.gz	CUUMJCUQJSURKC-SSDOTTSWSA-N	-1	0	257.196	0.080	20	30		CCEDRM
N#C[C@@]1(C(=O)N2CCO[C@H](CC(=O)[O-])C2)CCCOC1	ZINC000923063948	640013324	/nfs/dbraw/zinc/01/33/24/640013324.db2.gz	FJJOUFDPOLGLRO-MFKMUULPSA-N	-1	0	282.296	0.009	20	30		CCEDRM
Cc1nc(C)c(C(=O)[N-]S(=O)(=O)CCCC#N)o1	ZINC000755809973	640336898	/nfs/dbraw/zinc/33/68/98/640336898.db2.gz	QQBIJEJGJPLNGX-UHFFFAOYSA-N	-1	0	271.298	0.655	20	30		CCEDRM
Cc1nonc1[N-]S(=O)(=O)c1cncc(C#N)c1	ZINC000811825670	640989066	/nfs/dbraw/zinc/98/90/66/640989066.db2.gz	GEZBXDDPASHPLN-UHFFFAOYSA-N	-1	0	265.254	0.446	20	30		CCEDRM
O=C(NC1CC1)c1ccc(C=Nn2c(=O)[n-][nH]c2=O)cc1	ZINC000814231248	641061362	/nfs/dbraw/zinc/06/13/62/641061362.db2.gz	AULQCEGOMHMATG-UHFFFAOYSA-N	-1	0	287.279	0.464	20	30		CCEDRM
Cc1cccc2ncc(C=Nn3c(=O)[n-][nH]c3=O)n21	ZINC000814232332	641061917	/nfs/dbraw/zinc/06/19/17/641061917.db2.gz	RDYDHJKSLMSKCE-UHFFFAOYSA-N	-1	0	258.241	0.528	20	30		CCEDRM
O=C([O-])C1CC(=NNC(=S)NC[C@@H]2CCCO2)C1	ZINC000814726659	641074734	/nfs/dbraw/zinc/07/47/34/641074734.db2.gz	GCTCXJLTVSFWLH-NETXQHHPSA-N	-1	0	271.342	0.480	20	30		CCEDRM
Cc1cc(C)c(C(=O)[O-])cc1C=NNCCS(C)(=O)=O	ZINC000814848382	641078218	/nfs/dbraw/zinc/07/82/18/641078218.db2.gz	TWHQYHJXIBZLLX-UHFFFAOYSA-N	-1	0	298.364	0.970	20	30		CCEDRM
Cc1nn(C)c(C)c1S(=O)(=O)[N-]C(=O)CC1(C#N)CC1	ZINC000815895672	641128855	/nfs/dbraw/zinc/12/88/55/641128855.db2.gz	BVYOXPXEEIEWEH-UHFFFAOYSA-N	-1	0	296.352	0.536	20	30		CCEDRM
Cc1cc(C#N)cnc1C([O-])=C(C#N)C(=O)NC1CC1	ZINC000815908402	641129847	/nfs/dbraw/zinc/12/98/47/641129847.db2.gz	AMACYYKPTAPKBI-LLVKDONJSA-N	-1	0	268.276	0.863	20	30		CCEDRM
O=C(N[C@H]1CCN(O)C1=O)c1ccc([O-])c([N+](=O)[O-])c1	ZINC000820185870	641482437	/nfs/dbraw/zinc/48/24/37/641482437.db2.gz	RFQJSBDRKPAVPD-ZETCQYMHSA-N	-1	0	281.224	0.020	20	30		CCEDRM
N#Cc1cn(CC(=O)N2CCCC23CCC3)c(=O)[n-]c1=O	ZINC000822473422	641672529	/nfs/dbraw/zinc/67/25/29/641672529.db2.gz	XHWKPAHDJRFXLF-UHFFFAOYSA-N	-1	0	288.307	0.366	20	30		CCEDRM
C#C[C@H]1CCCN(C(=O)c2cccc(-n3[n-]nnc3=N)c2)C1	ZINC000824291422	641815986	/nfs/dbraw/zinc/81/59/86/641815986.db2.gz	XQWNDKXMOYIECL-NSHDSACASA-N	-1	0	296.334	0.560	20	30		CCEDRM
N#Cc1c(-c2nnn[n-]2)ncn1Cc1noc2c1CCCC2	ZINC000826382998	641929877	/nfs/dbraw/zinc/92/98/77/641929877.db2.gz	FKQPSQHOCKLLGS-UHFFFAOYSA-N	-1	0	296.294	0.850	20	30		CCEDRM
C[C@]1([N-]C(=O)C(F)(F)F)CCN(C(=O)CC#N)C1	ZINC000830808036	642294601	/nfs/dbraw/zinc/29/46/01/642294601.db2.gz	UVWZNQHMDUFGQP-VIFPVBQESA-N	-1	0	263.219	0.570	20	30		CCEDRM
N#Cc1ccc([O-])c(NC(=O)C[C@H]2CCC(=O)N2)c1	ZINC000831271507	642341112	/nfs/dbraw/zinc/34/11/12/642341112.db2.gz	HXCOSRMMJDNOTN-SECBINFHSA-N	-1	0	259.265	0.871	20	30		CCEDRM
N#CCN(CC(=O)[O-])CC(=O)Nc1c(F)cccc1F	ZINC000833067414	642532854	/nfs/dbraw/zinc/53/28/54/642532854.db2.gz	STDWSUDNOHPKEL-UHFFFAOYSA-N	-1	0	283.234	0.813	20	30		CCEDRM
CC1(C#N)CCN(CC(=O)N2CCC(C(=O)[O-])CC2)CC1	ZINC000833550684	642539150	/nfs/dbraw/zinc/53/91/50/642539150.db2.gz	CNFAHXNZGCPWJH-UHFFFAOYSA-N	-1	0	293.367	0.935	20	30		CCEDRM
C[C@H](Oc1ccccn1)C(=O)[N-]S(=O)(=O)CCCC#N	ZINC000835273147	642655605	/nfs/dbraw/zinc/65/56/05/642655605.db2.gz	GWLMKXCEZGEFAO-JTQLQIEISA-N	-1	0	297.336	0.599	20	30		CCEDRM
Cc1ccn2cc(C(=O)[N-]S(=O)(=O)CCC#N)nc2c1	ZINC000835411180	642660930	/nfs/dbraw/zinc/66/09/30/642660930.db2.gz	FDKBAGOZVIZBJS-UHFFFAOYSA-N	-1	0	292.320	0.616	20	30		CCEDRM
Cn1cc(Cl)cc1C(=O)[N-]S(=O)(=O)CCC#N	ZINC000835410993	642661004	/nfs/dbraw/zinc/66/10/04/642661004.db2.gz	CEBOUTOJEPGJMS-UHFFFAOYSA-N	-1	0	275.717	0.652	20	30		CCEDRM
N#CC1(CS(=O)(=O)NC2(C(=O)[O-])CCCCC2)CC1	ZINC000841777069	642835314	/nfs/dbraw/zinc/83/53/14/642835314.db2.gz	WBVIYJOMYDXABK-UHFFFAOYSA-N	-1	0	286.353	0.997	20	30		CCEDRM
N#CC1(CS(=O)(=O)[N-]C(=O)C2SCCS2)CC1	ZINC000842333049	642892291	/nfs/dbraw/zinc/89/22/91/642892291.db2.gz	FKHRLLAYCABSLY-UHFFFAOYSA-N	-1	0	292.407	0.542	20	30		CCEDRM
NC(=O)[C@H]1C[C@@H](/N=C\c2cc([N+](=O)[O-])ccc2[O-])C1	ZINC000844272165	643194215	/nfs/dbraw/zinc/19/42/15/643194215.db2.gz	VUVULYPRMDELEH-MPMRYDHASA-N	-1	0	263.253	0.983	20	30		CCEDRM
C[C@@H](CC#N)N(C)S(=O)(=O)N(CC(=O)[O-])C1CC1	ZINC000844795041	643248848	/nfs/dbraw/zinc/24/88/48/643248848.db2.gz	LKTKRRVNUIDBHY-QMMMGPOBSA-N	-1	0	275.330	0.014	20	30		CCEDRM
Cc1nc(S(=O)(=O)N2CCC(C#CC(=O)[O-])CC2)c[nH]1	ZINC000844817623	643249658	/nfs/dbraw/zinc/24/96/58/643249658.db2.gz	OLCHAWOKDIKXEZ-UHFFFAOYSA-N	-1	0	297.336	0.207	20	30		CCEDRM
Cn1ncc(C(=O)[O-])c1C=NOC1CCOCC1	ZINC000848408832	643633225	/nfs/dbraw/zinc/63/32/25/643633225.db2.gz	CCSZINRPHYINMP-UHFFFAOYSA-N	-1	0	253.258	0.648	20	30		CCEDRM
C[C@H](CC#N)C(=O)[N-]S(=O)(=O)c1ccccn1	ZINC000850847778	643818157	/nfs/dbraw/zinc/81/81/57/643818157.db2.gz	ITHKWZZDIRPAPN-MRVPVSSYSA-N	-1	0	253.283	0.436	20	30		CCEDRM
N#CCCS(=O)(=O)[N-]C(=O)[C@@H]1CCC[C@@H]2C[C@@H]21	ZINC000851015716	643826592	/nfs/dbraw/zinc/82/65/92/643826592.db2.gz	IANKKCBXLJDXFW-BBBLOLIVSA-N	-1	0	256.327	0.782	20	30		CCEDRM
Cc1ccnn1CC(=O)C(C#N)=C([O-])c1nccn1C	ZINC000860612626	644815773	/nfs/dbraw/zinc/81/57/73/644815773.db2.gz	DQOCUIUGKGWWES-JTQLQIEISA-N	-1	0	271.280	0.517	20	30		CCEDRM
Cc1ccnn1CC(=O)C(C#N)=C([O-])c1nccn1C	ZINC000860612627	644816020	/nfs/dbraw/zinc/81/60/20/644816020.db2.gz	DQOCUIUGKGWWES-SNVBAGLBSA-N	-1	0	271.280	0.517	20	30		CCEDRM
N#CC1(CS(=O)(=O)[N-]C(=O)COCC(F)F)CC1	ZINC000860649306	644819140	/nfs/dbraw/zinc/81/91/40/644819140.db2.gz	HWDQVPOYDNTGHE-UHFFFAOYSA-N	-1	0	282.268	0.018	20	30		CCEDRM
C[C@@]1(Br)C[C@@H]1C(=O)[N-]S(=O)(=O)CCC#N	ZINC000860751333	644826429	/nfs/dbraw/zinc/82/64/29/644826429.db2.gz	BVAHKZWMDQSFLZ-HTRCEHHLSA-N	-1	0	295.158	0.520	20	30		CCEDRM
C[C@@H]1CN(C(=O)OC(C)(C)C)CC1=NNCC(=O)[O-]	ZINC000863117053	645060033	/nfs/dbraw/zinc/06/00/33/645060033.db2.gz	HMSJVEVGJKDNBM-MRVPVSSYSA-N	-1	0	271.317	0.903	20	30		CCEDRM
C[C@@H]1CC(=Nn2ccc(=O)[nH]c2=O)CC[C@H]1C(=O)[O-]	ZINC000863182315	645067543	/nfs/dbraw/zinc/06/75/43/645067543.db2.gz	HMFMZOJHLLUUFG-VXNVDRBHSA-N	-1	0	265.269	0.674	20	30		CCEDRM
CC(=O)C[C@@H](NS(=O)(=O)c1ccccc1C#N)C(=O)[O-]	ZINC000863410569	645092724	/nfs/dbraw/zinc/09/27/24/645092724.db2.gz	GVMWXUBTDKBQMH-SNVBAGLBSA-N	-1	0	296.304	0.269	20	30		CCEDRM
Cc1ccn(C[C@@H](C)C(=O)N[C@@H]2CCCN(O)C2=O)n1	ZINC000868562229	645786084	/nfs/dbraw/zinc/78/60/84/645786084.db2.gz	DXQMOURRQFZGQJ-MWLCHTKSSA-N	-1	0	280.328	0.324	20	30		CCEDRM
O=Cc1ccc(C(=O)N[C@@H]2CCCN(O)C2=O)s1	ZINC000868562179	645787045	/nfs/dbraw/zinc/78/70/45/645787045.db2.gz	DDMLFWYKPGWHBX-MRVPVSSYSA-N	-1	0	268.294	0.671	20	30		CCEDRM
N#CC(C(=O)NC1CC1)=C([O-])c1cnn(CC2CC2)c1	ZINC000870142288	645964391	/nfs/dbraw/zinc/96/43/91/645964391.db2.gz	IGTUZPUFLQVFKR-GFCCVEGCSA-N	-1	0	272.308	0.894	20	30		CCEDRM
C[C@H]1CN=C(NN=Cc2ccc(F)c(F)c2[O-])N1	ZINC000872364741	646252192	/nfs/dbraw/zinc/25/21/92/646252192.db2.gz	SNJWPYZPALTJBW-LURJTMIESA-N	-1	0	254.240	0.942	20	30		CCEDRM
C[C@H](C#N)C[N-]S(=O)(=O)N=[S@](C)(=O)C(C)(C)C	ZINC000872456167	646264172	/nfs/dbraw/zinc/26/41/72/646264172.db2.gz	JXOJYHGBMGHGTF-VPTHRUTESA-N	-1	0	281.403	0.877	20	30		CCEDRM
Cc1cc(C#N)ccc1C(=O)[N-]S(=O)(=O)N1CCCC1	ZINC000129564781	647394497	/nfs/dbraw/zinc/39/44/97/647394497.db2.gz	XLUKQYAGFYHPPB-UHFFFAOYSA-N	-1	0	293.348	0.937	20	30		CCEDRM
N#CCCNS(=O)(=O)c1cc(C(=O)[O-])cc(F)c1F	ZINC000137490356	647947241	/nfs/dbraw/zinc/94/72/41/647947241.db2.gz	XRDWJGSGBXYQMY-UHFFFAOYSA-N	-1	0	290.247	0.855	20	30		CCEDRM
C[C@@H](CN(C)C(=O)C1(C#N)CCSCC1)c1nnn[n-]1	ZINC000935366729	649229026	/nfs/dbraw/zinc/22/90/26/649229026.db2.gz	HGRNUTVDFATGLM-VIFPVBQESA-N	-1	0	294.384	0.799	20	30		CCEDRM
CS(=O)(=O)[N-]C(=O)c1ccc(-n2cncn2)cc1	ZINC000042279174	649287739	/nfs/dbraw/zinc/28/77/39/649287739.db2.gz	IJKYXNWTTSBAQQ-UHFFFAOYSA-N	-1	0	266.282	0.532	20	30		CCEDRM
Cc1nc(N2CCO[C@@H](C#N)C2)sc1C(=O)[O-]	ZINC000156117651	649294380	/nfs/dbraw/zinc/29/43/80/649294380.db2.gz	RHKSGUWSPBCNBO-ZETCQYMHSA-N	-1	0	253.283	0.879	20	30		CCEDRM
COc1cccc(OCC(=O)[N-]S(C)(=O)=O)c1	ZINC000048487507	649322311	/nfs/dbraw/zinc/32/23/11/649322311.db2.gz	XKOGCEKFQCVEEC-UHFFFAOYSA-N	-1	0	259.283	0.990	20	30		CCEDRM
O=C([N-]S(=O)(=O)N1CCCC1)c1cnn2cccnc12	ZINC000048869497	649327680	/nfs/dbraw/zinc/32/76/80/649327680.db2.gz	LIDZUBZRMUFQQC-UHFFFAOYSA-N	-1	0	295.324	0.375	20	30		CCEDRM
C=CCN(CC(=O)[O-])C(=O)c1cccc(-n2ccnn2)c1	ZINC000191253310	649470281	/nfs/dbraw/zinc/47/02/81/649470281.db2.gz	VKRIICWUCABAKZ-UHFFFAOYSA-N	-1	0	286.291	0.980	20	30		CCEDRM
C=CCN(CC(=O)[O-])C(=O)CCCC(=O)NCC	ZINC000191270907	649471022	/nfs/dbraw/zinc/47/10/22/649471022.db2.gz	ONBCPYBPXKLLEY-UHFFFAOYSA-N	-1	0	256.302	0.392	20	30		CCEDRM
C=CCCC(=O)[N-]S(=O)(=O)c1cc(C(N)=O)n(C)c1	ZINC000078701379	649492420	/nfs/dbraw/zinc/49/24/20/649492420.db2.gz	PAIKNYCOHNYZEY-UHFFFAOYSA-N	-1	0	285.325	0.735	20	30		CCEDRM
CC(C)NC(=O)C(C#N)=C([O-])c1cccc(C(N)=O)c1	ZINC000193487451	649542128	/nfs/dbraw/zinc/54/21/28/649542128.db2.gz	SODHEJKXGXCOEA-LLVKDONJSA-N	-1	0	273.292	0.633	20	30		CCEDRM
CC[C@H](CNS(=O)(=O)c1ccccc1C#N)C(=O)[O-]	ZINC000087499654	649630180	/nfs/dbraw/zinc/63/01/80/649630180.db2.gz	LMHYYTIZJFLHNV-SECBINFHSA-N	-1	0	282.321	0.947	20	30		CCEDRM
C=CCOCCCNC(=O)N[C@H]1C[C@H](C(=O)[O-])C1	ZINC000693029289	790667182	/nfs/dbraw/zinc/66/71/82/790667182.db2.gz	DSYLARSLLSGQKM-MGCOHNPYSA-N	-1	0	256.302	0.742	20	30		CCEDRM
C[C@@H]1C(=O)N(C)CCN1Cc1cc(C#N)ccc1[O-]	ZINC001232677588	805970398	/nfs/dbraw/zinc/97/03/98/805970398.db2.gz	FNFUJHMKSUSDMX-SNVBAGLBSA-N	-1	0	259.309	0.926	20	30		CCEDRM
N#Cc1ccc(CN2C[C@@H](F)C[C@H]2C(N)=O)c(O)c1	ZINC001233386091	806052733	/nfs/dbraw/zinc/05/27/33/806052733.db2.gz	GFIFNMQERZHBRW-QWRGUYRKSA-N	-1	0	263.272	0.662	20	30		CCEDRM
N#CCN1CC[C@@H](Oc2n[n-]c(=O)cc2Cl)C1	ZINC001233586841	806086972	/nfs/dbraw/zinc/08/69/72/806086972.db2.gz	JHNZYUXCXATLQV-SSDOTTSWSA-N	-1	0	254.677	0.812	20	30		CCEDRM
N#Cc1nc2cc(OC(=O)[C@H](O)CC(=O)[O-])ccc2s1	ZINC001233698008	806109454	/nfs/dbraw/zinc/10/94/54/806109454.db2.gz	LZLOSXSOFFMKGV-MRVPVSSYSA-N	-1	0	292.272	0.909	20	30		CCEDRM
C=C[C@@H]1OCC[C@H]1NC(=O)NC[C@H](CC)C(=O)[O-]	ZINC001121918386	799093301	/nfs/dbraw/zinc/09/33/01/799093301.db2.gz	HJUXEXHEJTUMQO-AEJSXWLSSA-N	-1	0	256.302	0.740	20	30		CCEDRM
C#C[C@H](C)N(C)c1nnc(-c2c[nH][nH]c2=O)n1CCOC	ZINC001122243900	799178099	/nfs/dbraw/zinc/17/80/99/799178099.db2.gz	IIZGVGBSCNRKHK-VIFPVBQESA-N	-1	0	290.327	0.478	20	30		CCEDRM
CNC(=O)C(C#N)=C([O-])c1csc(-c2cnccn2)n1	ZINC001122406463	799226823	/nfs/dbraw/zinc/22/68/23/799226823.db2.gz	MLOWXSVBCFVQHU-ZETCQYMHSA-N	-1	0	287.304	0.669	20	30		CCEDRM
COCCNC(=O)C(C#N)=C([O-])c1ccc(C(=O)OC)o1	ZINC001122413509	799227332	/nfs/dbraw/zinc/22/73/32/799227332.db2.gz	QOUCOESKHPJOAE-MRVPVSSYSA-N	-1	0	294.263	0.151	20	30		CCEDRM
C=CCNC(=O)C(C#N)=C([O-])c1ccc(C(=O)OC)o1	ZINC001122500100	799250419	/nfs/dbraw/zinc/25/04/19/799250419.db2.gz	WIHDHRWAVOZBKJ-MRVPVSSYSA-N	-1	0	276.248	0.691	20	30		CCEDRM
CNC(=O)C(C#N)=C([O-])c1cnc2nccnc2c1	ZINC001122502487	799251413	/nfs/dbraw/zinc/25/14/13/799251413.db2.gz	QLYGIHDOPLNPFG-MRVPVSSYSA-N	-1	0	255.237	0.093	20	30		CCEDRM
Cn1ccnc1C([O-])=C(C#N)C(=O)C1CCOCC1	ZINC001122714719	799288809	/nfs/dbraw/zinc/28/88/09/799288809.db2.gz	NZBXOMRVNNMICT-SNVBAGLBSA-N	-1	0	261.281	0.738	20	30		CCEDRM
COc1nn(C)cc1C([O-])=C(C#N)c1ccncn1	ZINC001122830794	799300848	/nfs/dbraw/zinc/30/08/48/799300848.db2.gz	NHXMORANXNDZNX-QMMMGPOBSA-N	-1	0	257.253	0.709	20	30		CCEDRM
C=C(C)[C@@H]1OCC[C@@H]1C(=O)NC[C@@H](C(=O)[O-])[C@H]1CCOC1	ZINC001123294942	799385830	/nfs/dbraw/zinc/38/58/30/799385830.db2.gz	BUUDPWNCOLRNDC-RVMXOQNASA-N	-1	0	297.351	0.821	20	30		CCEDRM
C=C(CNC(=O)CCc1nnn[n-]1)c1ccccc1	ZINC001141790881	800035027	/nfs/dbraw/zinc/03/50/27/800035027.db2.gz	CWUKSLYTVUACBP-UHFFFAOYSA-N	-1	0	257.297	0.962	20	30		CCEDRM
N#Cc1ccc(C(F)(F)N[C@@H]2CO[N-]C2=O)nc1Cl	ZINC001156685556	801212228	/nfs/dbraw/zinc/21/22/28/801212228.db2.gz	GEBNPLPFZOFMSP-ZCFIWIBFSA-N	-1	0	288.641	0.676	20	30		CCEDRM
C=C[C@@H]1OCC[C@H]1NC(=O)CSc1n[nH]c(=O)[n-]1	ZINC001158345183	801623829	/nfs/dbraw/zinc/62/38/29/801623829.db2.gz	FETVCISVWJSGDJ-RQJHMYQMSA-N	-1	0	270.314	0.062	20	30		CCEDRM
COC(CNC(=O)c1[n-]c(=O)c(C#N)cc1C)OC	ZINC001159816947	801876141	/nfs/dbraw/zinc/87/61/41/801876141.db2.gz	ULWINJKKHZMUNX-UHFFFAOYSA-N	-1	0	265.269	0.316	20	30		CCEDRM
Cn1ncc([N-]S(=O)(=O)CCC(F)(F)F)c1C#N	ZINC001259867019	808789516	/nfs/dbraw/zinc/78/95/16/808789516.db2.gz	CYSLTVCFARBZGO-UHFFFAOYSA-N	-1	0	282.247	0.986	20	30		CCEDRM
C=CCS(=O)(=O)[N-]c1oncc1C(=O)OCC	ZINC001259922688	808804091	/nfs/dbraw/zinc/80/40/91/808804091.db2.gz	QRAYHMFTHBJOOH-UHFFFAOYSA-N	-1	0	260.271	0.779	20	30		CCEDRM
C=CCS(=O)(=O)[N-]c1cncc(C(=O)OC)n1	ZINC001259922460	808804151	/nfs/dbraw/zinc/80/41/51/808804151.db2.gz	JLZPWWZCEUAYMA-UHFFFAOYSA-N	-1	0	257.271	0.191	20	30		CCEDRM
COCCS(=O)(=O)[N-]c1nc(C)c(C#N)cc1C#N	ZINC001259965844	808828428	/nfs/dbraw/zinc/82/84/28/808828428.db2.gz	SHBHIZAJXCDMPX-UHFFFAOYSA-N	-1	0	280.309	0.521	20	30		CCEDRM
CCON(C(=O)Cn1cc(C#N)c(=O)[n-]c1=O)C(C)C	ZINC001163371227	802548935	/nfs/dbraw/zinc/54/89/35/802548935.db2.gz	ZOPBIIHXKDQGFR-UHFFFAOYSA-N	-1	0	280.284	0.009	20	30		CCEDRM
N#Cc1cc(N[C@@H]2SC(=O)[N-]C2=O)nc(C2CC2)n1	ZINC001163664527	802586557	/nfs/dbraw/zinc/58/65/57/802586557.db2.gz	GKXOJJICTYECAG-SNVBAGLBSA-N	-1	0	275.293	0.947	20	30		CCEDRM
C#CCC1(NS(=O)(=O)c2n[nH]cc2C(=O)OC)CCC1	ZINC001213813817	803704894	/nfs/dbraw/zinc/70/48/94/803704894.db2.gz	DZPCMUSVAVBWSC-UHFFFAOYSA-N	-1	0	297.336	0.421	20	30		CCEDRM
C=CCO[C@@H]1CCN(S(=O)(=O)[C@H]2CC[C@H]2C(=O)[O-])C1	ZINC001465110357	804110635	/nfs/dbraw/zinc/11/06/35/804110635.db2.gz	MQWXRNQFGOTFCL-MXWKQRLJSA-N	-1	0	289.353	0.456	20	30		CCEDRM
C#CCN(CC#CC)S(=O)(=O)[C@H]1CCCC[C@@H]1C(=O)[O-]	ZINC001465111316	804114837	/nfs/dbraw/zinc/11/48/37/804114837.db2.gz	VSSSVNOGFYNFLX-STQMWFEESA-N	-1	0	297.376	0.918	20	30		CCEDRM
C=CCC[C@H](NS(=O)(=O)c1c[nH]nc1C)C(=O)[O-]	ZINC000315971263	804660403	/nfs/dbraw/zinc/66/04/03/804660403.db2.gz	YFGUGXNGHVHZBQ-QMMMGPOBSA-N	-1	0	273.314	0.416	20	30		CCEDRM
N#Cc1ccc(COC(=O)[C@H](O)CC(=O)[O-])s1	ZINC001223288706	804964075	/nfs/dbraw/zinc/96/40/75/804964075.db2.gz	MNEXRZRLVOHVCN-MRVPVSSYSA-N	-1	0	255.251	0.499	20	30		CCEDRM
COc1cccc(CC#N)c1OC(=O)[C@H](O)CC(=O)[O-]	ZINC001225842375	805169343	/nfs/dbraw/zinc/16/93/43/805169343.db2.gz	DAYFGXMVYPLDMX-SECBINFHSA-N	-1	0	279.248	0.502	20	30		CCEDRM
CC[C@H](C#CC(=O)OC)Oc1[n-]c(=O)ncc1F	ZINC001225886055	805172187	/nfs/dbraw/zinc/17/21/87/805172187.db2.gz	SFZDBRNHQQZCRG-SSDOTTSWSA-N	-1	0	254.217	0.655	20	30		CCEDRM
N#Cc1ccc(OC(=O)[C@@H](O)CC(=O)[O-])c(F)c1	ZINC001226049344	805188884	/nfs/dbraw/zinc/18/88/84/805188884.db2.gz	OMQZVBXYAARODD-QMMMGPOBSA-N	-1	0	253.185	0.438	20	30		CCEDRM
Cc1cc(C)c(C#N)c(OC(=O)[C@@H](O)CC(=O)[O-])n1	ZINC001226090452	805192581	/nfs/dbraw/zinc/19/25/81/805192581.db2.gz	IMCDUVDJEOTDOK-VIFPVBQESA-N	-1	0	264.237	0.311	20	30		CCEDRM
N#Cc1ccnc(N2CCC(Oc3nncc(=O)[n-]3)CC2)c1	ZINC001226170657	805200568	/nfs/dbraw/zinc/20/05/68/805200568.db2.gz	VFWFJQZYIXBWLJ-UHFFFAOYSA-N	-1	0	298.306	0.892	20	30		CCEDRM
CN1[C@@H]2C[C@@H](Oc3[n-]c(=O)nc4nc[nH]c43)C[C@H]1[C@@H]1O[C@@H]12	ZINC001227068618	805317625	/nfs/dbraw/zinc/31/76/25/805317625.db2.gz	BCHGIYRPYYTSIN-WQDSJKFHSA-N	-1	0	289.295	0.050	20	30		CCEDRM
N#CCCN1CC(Oc2[n-]c(=O)nc3[nH]ccc32)C1	ZINC001227272205	805337712	/nfs/dbraw/zinc/33/77/12/805337712.db2.gz	CERUOCPMBZALLV-UHFFFAOYSA-N	-1	0	259.269	0.640	20	30		CCEDRM
N#Cc1cccc(F)c1OC(=O)[C@H](O)CCC(=O)[O-]	ZINC001227288312	805340400	/nfs/dbraw/zinc/34/04/00/805340400.db2.gz	XINYHFBCAFUDMV-SECBINFHSA-N	-1	0	267.212	0.828	20	30		CCEDRM
CCC1=C(Oc2nc(=O)[n-]c(=O)[nH]2)C(=O)[C@@H](C)O1	ZINC001227566825	805365676	/nfs/dbraw/zinc/36/56/76/805365676.db2.gz	JKPIFTXTUPBEBN-SCSAIBSYSA-N	-1	0	253.214	0.271	20	30		CCEDRM
Cc1ccnc(OC(=O)[C@@H](O)CC(=O)[O-])c1C#N	ZINC001228304594	805431720	/nfs/dbraw/zinc/43/17/20/805431720.db2.gz	FTIGWBWHUQCLEC-QMMMGPOBSA-N	-1	0	250.210	0.003	20	30		CCEDRM
N#Cc1cnoc1[N-]S(=O)(=O)CC(F)(F)F	ZINC001253113274	808005961	/nfs/dbraw/zinc/00/59/61/808005961.db2.gz	GZPKNDHJRMWWSP-UHFFFAOYSA-N	-1	0	255.177	0.850	20	30		CCEDRM
C#Cc1cnc([N-]S(=O)(=O)CCCC)c(C#C)n1	ZINC001253787268	808139230	/nfs/dbraw/zinc/13/92/30/808139230.db2.gz	ZKAKOLSAOJHNBD-UHFFFAOYSA-N	-1	0	263.322	0.981	20	30		CCEDRM
C#CCCCCc1cn(CCOCCOCC(=O)[O-])nn1	ZINC001254090715	808180307	/nfs/dbraw/zinc/18/03/07/808180307.db2.gz	VEECORNZFBYWOL-UHFFFAOYSA-N	-1	0	295.339	0.742	20	30		CCEDRM
C#CC[S@@](=O)Cc1cn(C(C)(C)CC(=O)[O-])nn1	ZINC001254094394	808180417	/nfs/dbraw/zinc/18/04/17/808180417.db2.gz	VCANHDJNGSRUKH-GOSISDBHSA-N	-1	0	269.326	0.370	20	30		CCEDRM
C#CCCCCC(=O)N1CCOC[C@@H]1CC(=O)[O-]	ZINC000300463266	815197206	/nfs/dbraw/zinc/19/72/06/815197206.db2.gz	YXNPVYPVIJJTPW-NSHDSACASA-N	-1	0	253.298	0.882	20	30		CCEDRM
Cn1cnc(S(=O)(=O)[N-]c2ncccc2C#N)c1	ZINC001258992800	808708868	/nfs/dbraw/zinc/70/88/68/808708868.db2.gz	LPYFOCLGHYVTAE-UHFFFAOYSA-N	-1	0	263.282	0.488	20	30		CCEDRM
Cc1nc(C#N)c([N-]S(=O)(=O)c2cn(C)cn2)o1	ZINC001258993776	808709930	/nfs/dbraw/zinc/70/99/30/808709930.db2.gz	GZORQGBLKNGIEX-UHFFFAOYSA-N	-1	0	267.270	0.389	20	30		CCEDRM
C#Cc1cc([N-]S(=O)(=O)c2cccnc2)ccn1	ZINC001259601829	808761196	/nfs/dbraw/zinc/76/11/96/808761196.db2.gz	IGQNWIQLUNVROB-UHFFFAOYSA-N	-1	0	259.290	0.681	20	30		CCEDRM
N#CC1CC(NS(=O)(=O)c2cccc(C(=O)[O-])c2)C1	ZINC001260195011	808855663	/nfs/dbraw/zinc/85/56/63/808855663.db2.gz	VVUDENCJIFMSRI-UHFFFAOYSA-N	-1	0	280.305	0.965	20	30		CCEDRM
O=C([O-])c1ccc(S(=O)(=O)NCCS)cc1	ZINC001260229692	808856961	/nfs/dbraw/zinc/85/69/61/808856961.db2.gz	XEIITRIGRCTXAV-UHFFFAOYSA-N	-1	0	261.324	0.593	20	30		CCEDRM
C=C[C@H](C)O[N-]C(=O)C(=O)Nc1nc(COC)cs1	ZINC001261514695	809005350	/nfs/dbraw/zinc/00/53/50/809005350.db2.gz	JWVJLHDRDBHMOA-ZETCQYMHSA-N	-1	0	285.325	0.850	20	30		CCEDRM
N#CCCCCC(=O)N1CCO[C@@H](c2nnn[n-]2)C1	ZINC001261547645	809014521	/nfs/dbraw/zinc/01/45/21/809014521.db2.gz	RCGQOZBXDFJNLO-SECBINFHSA-N	-1	0	264.289	0.184	20	30		CCEDRM
C=CC[C@H](NC(=O)Cc1cnn2c1CCCC2)C(=O)[O-]	ZINC001262177000	809222629	/nfs/dbraw/zinc/22/26/29/809222629.db2.gz	GYOKTUFWGDMASB-NSHDSACASA-N	-1	0	277.324	0.907	20	30		CCEDRM
C=CC[C@H](NC(=O)N[C@H](COC)[C@@H]1CCCO1)C(=O)[O-]	ZINC001262210001	809244320	/nfs/dbraw/zinc/24/43/20/809244320.db2.gz	ISAJIERXHWUBDO-AXFHLTTASA-N	-1	0	286.328	0.509	20	30		CCEDRM
C[C@H]1CCC[C@@H](Nc2[n-]c(=O)n(C)c(=O)c2C#N)C1	ZINC001262678146	809391891	/nfs/dbraw/zinc/39/18/91/809391891.db2.gz	QATNWMQXBLZMNS-DTWKUNHWSA-N	-1	0	262.313	0.936	20	30		CCEDRM
CC[C@H]1CCCN(c2[n-]c(=O)n(C)c(=O)c2C#N)C1	ZINC001262678722	809392079	/nfs/dbraw/zinc/39/20/79/809392079.db2.gz	LCCYWXWMAUXECU-VIFPVBQESA-N	-1	0	262.313	0.572	20	30		CCEDRM
COCCn1ccc(C([O-])=C(C#N)C(=O)N2CCCC2)n1	ZINC001263292960	809504130	/nfs/dbraw/zinc/50/41/30/809504130.db2.gz	YFERIMUHOZGJQN-LLVKDONJSA-N	-1	0	290.323	0.474	20	30		CCEDRM
CNC(=O)C(C#N)=C([O-])c1cc(C2CCOCC2)nn1C	ZINC001263311225	809506127	/nfs/dbraw/zinc/50/61/27/809506127.db2.gz	CYHVVHYVVUKQFX-SNVBAGLBSA-N	-1	0	290.323	0.383	20	30		CCEDRM
COc1c(F)nccc1C([O-])=C(C#N)C(=O)NC1CC1	ZINC001263306941	809506344	/nfs/dbraw/zinc/50/63/44/809506344.db2.gz	NHGIWGNDSYXBLF-VIFPVBQESA-N	-1	0	277.255	0.830	20	30		CCEDRM
C#CCOCCN(C)C(=O)C(C)(C)[N-]C(=O)C(F)(F)F	ZINC001264015727	809622462	/nfs/dbraw/zinc/62/24/62/809622462.db2.gz	CTILCXAUCNLSGC-UHFFFAOYSA-N	-1	0	294.273	0.552	20	30		CCEDRM
N#C[C@H](NS(=O)(=O)c1ncc[n-]1)c1ccccc1	ZINC000386227954	809638716	/nfs/dbraw/zinc/63/87/16/809638716.db2.gz	PILQPCJSZVUKRJ-JTQLQIEISA-N	-1	0	262.294	0.953	20	30		CCEDRM
C=CCOC[C@@H](CS(=O)(=O)[O-])Oc1ccsn1	ZINC001227732313	814447337	/nfs/dbraw/zinc/44/73/37/814447337.db2.gz	UKFHSYSIHGCPEM-QMMMGPOBSA-N	-1	0	279.339	0.981	20	30		CCEDRM
C=CCN(CC(=O)[O-])C(=O)COCC(F)(F)F	ZINC000189652675	814853679	/nfs/dbraw/zinc/85/36/79/814853679.db2.gz	GVYKWORJLDZJHA-UHFFFAOYSA-N	-1	0	255.192	0.665	20	30		CCEDRM
COC(=O)CC(CC(=O)OC)Oc1[n-]c(=O)ccc1C#N	ZINC001228900121	814858851	/nfs/dbraw/zinc/85/88/51/814858851.db2.gz	CICYRALPCGQWOQ-UHFFFAOYSA-N	-1	0	294.263	0.532	20	30		CCEDRM
C=C(C)CN1CC(NC(=O)c2[nH]nc(C)c2[O-])C1	ZINC001030222607	815906647	/nfs/dbraw/zinc/90/66/47/815906647.db2.gz	QWXAGXNPYLIIRD-UHFFFAOYSA-N	-1	0	250.302	0.414	20	30		CCEDRM
CCOC(=O)[C@@H](C#C[Si](C)(C)C)OCC(=O)[O-]	ZINC001225024688	815910983	/nfs/dbraw/zinc/91/09/83/815910983.db2.gz	ZMWMKFKVBWINOL-SECBINFHSA-N	-1	0	258.346	0.900	20	30		CCEDRM
Cc1[nH]nc(C(=O)N2C[C@@H](CNCC#N)[C@H](C)C2)c1[O-]	ZINC001106012115	816072812	/nfs/dbraw/zinc/07/28/12/816072812.db2.gz	BFQQABLLLMHQDI-PSASIEDQSA-N	-1	0	277.328	0.245	20	30		CCEDRM
C#CCN1CC(NC(=O)c2n[n-]c3ccccc3c2=O)C1	ZINC001031035511	816589235	/nfs/dbraw/zinc/58/92/35/816589235.db2.gz	UYFVANKZQKIJHW-UHFFFAOYSA-N	-1	0	282.303	0.383	20	30		CCEDRM
Cc1cc(C)n2[n-]c(=NC(=O)NCCC#N)nc2n1	ZINC000362470543	818857506	/nfs/dbraw/zinc/85/75/06/818857506.db2.gz	FABIDLKTUFTQCU-UHFFFAOYSA-N	-1	0	259.273	0.198	20	30		CCEDRM
CCN(C(=O)c1n[nH]c(C)c1[O-])[C@@H]1CCN(CC#N)C1	ZINC001033807407	818944932	/nfs/dbraw/zinc/94/49/32/818944932.db2.gz	SVAOHRWUULRCOX-SNVBAGLBSA-N	-1	0	277.328	0.484	20	30		CCEDRM
Cc1[nH]nc(C(=O)N2CCC3(CN(CC#N)C3)CC2)c1[O-]	ZINC001035687635	819604579	/nfs/dbraw/zinc/60/45/79/819604579.db2.gz	FAFZPJABFHZBPU-UHFFFAOYSA-N	-1	0	289.339	0.485	20	30		CCEDRM
C=C[C@@H](C)O[N-]C(=O)C1(S(C)(=O)=O)CCOCC1	ZINC001118332437	820345825	/nfs/dbraw/zinc/34/58/25/820345825.db2.gz	BSNFROBAMZSOOF-SECBINFHSA-N	-1	0	277.342	0.203	20	30		CCEDRM
C#CCN1CC[C@@H]2CN(C(=O)c3n[nH]c(C)c3[O-])[C@@H]2C1	ZINC001084284604	821260844	/nfs/dbraw/zinc/26/08/44/821260844.db2.gz	IHYBBURLHKSWOC-GHMZBOCLSA-N	-1	0	274.324	0.203	20	30		CCEDRM
Cc1[nH]nc(C(=O)N2C[C@H]3CCN(CC#N)C[C@H]32)c1[O-]	ZINC001084285020	821264865	/nfs/dbraw/zinc/26/48/65/821264865.db2.gz	ULFXEFSQYIQQJM-NXEZZACHSA-N	-1	0	275.312	0.094	20	30		CCEDRM
C#CC[C@@H](NC(=O)[C@@H]1CCCN1C(=O)CCC)C(=O)[O-]	ZINC000822751937	821493784	/nfs/dbraw/zinc/49/37/84/821493784.db2.gz	USQJQHCXRQCUTG-MNOVXSKESA-N	-1	0	280.324	0.370	20	30		CCEDRM
C=CCOC[C@H](CS(=O)(=O)[O-])Oc1cnn(C)c1	ZINC001231183760	821507474	/nfs/dbraw/zinc/50/74/74/821507474.db2.gz	WDTGNSDHNZDVCJ-SNVBAGLBSA-N	-1	0	276.314	0.258	20	30		CCEDRM
Cc1[nH]nc(C(=O)N(C)C[C@@H]2CCN2CC#N)c1[O-]	ZINC001085550491	821786314	/nfs/dbraw/zinc/78/63/14/821786314.db2.gz	VONTWRFLUSDUSP-VIFPVBQESA-N	-1	0	263.301	0.094	20	30		CCEDRM
C[C@@H]1C[C@H](C(=O)[N-]S(=O)(=O)CC2(C#N)CC2)CCC1=O	ZINC000793198650	837404323	/nfs/dbraw/zinc/40/43/23/837404323.db2.gz	ZJGJGZORTKGNLX-NXEZZACHSA-N	-1	0	298.364	0.741	20	30		CCEDRM
N#C[C@@H](Cc1ccc(O)cc1)C(=O)NCS(=O)(=O)[O-]	ZINC001183613556	844057863	/nfs/dbraw/zinc/05/78/63/844057863.db2.gz	PVNUXGJAQIJYMH-SECBINFHSA-N	-1	0	284.293	0.036	20	30		CCEDRM
CSc1ncc(C#N)c(NCc2cc(=O)[n-]o2)n1	ZINC001169480632	836291163	/nfs/dbraw/zinc/29/11/63/836291163.db2.gz	HIOIJLGDYISSTL-UHFFFAOYSA-N	-1	0	263.282	0.798	20	30		CCEDRM
C=CC[C@H](Nc1ccc(C(=O)[O-])nn1)C(=O)OC	ZINC001169837012	836455864	/nfs/dbraw/zinc/45/58/64/836455864.db2.gz	UTQGJWVNARNCOA-QMMMGPOBSA-N	-1	0	251.242	0.704	20	30		CCEDRM
COC(=O)n1ncc(C#N)c1Nc1ccc(C(=O)[O-])nn1	ZINC001169964462	836491351	/nfs/dbraw/zinc/49/13/51/836491351.db2.gz	BUSPXPYEZRIVPT-UHFFFAOYSA-N	-1	0	288.223	0.601	20	30		CCEDRM
Nc1[nH]c(=O)[nH]c(=O)c1NC(=O)CCC(=O)C1=CC=C[CH]1	ZINC001184240857	844186006	/nfs/dbraw/zinc/18/60/06/844186006.db2.gz	GFLMDAKJERXPEH-UHFFFAOYSA-N	-1	0	289.271	0.458	20	30		CCEDRM
O=C(CCC(=O)N1CC[C@H](CO)[C@H](O)C1)C1=CC=C[CH]1	ZINC001184245532	844187131	/nfs/dbraw/zinc/18/71/31/844187131.db2.gz	XMZDVUORLGJVSP-TZMCWYRMSA-N	-1	0	278.328	0.238	20	30		CCEDRM
Nc1cn(C(=O)CCC(=O)C2=CC=C[CH]2)c(N)nc1=O	ZINC001184247434	844188903	/nfs/dbraw/zinc/18/89/03/844188903.db2.gz	PFRCCAULWBGCRT-UHFFFAOYSA-N	-1	0	273.272	0.340	20	30		CCEDRM
O=C(CCC(=O)C1=CC=C[CH]1)NC[C@@H]1CNC(=O)C1	ZINC001184246052	844189145	/nfs/dbraw/zinc/18/91/45/844189145.db2.gz	IZKJDYCNLQKCOR-SNVBAGLBSA-N	-1	0	261.301	0.288	20	30		CCEDRM
O=C(CCC(=O)C1=CC=C[CH]1)NCC1OCCO1	ZINC001184246477	844189245	/nfs/dbraw/zinc/18/92/45/844189245.db2.gz	VBZGDAFTGNZQDB-UHFFFAOYSA-N	-1	0	250.274	0.525	20	30		CCEDRM
CCOC(=O)[C@H](C#N)Nc1ccc(C(=O)[O-])nn1	ZINC001170368483	837315024	/nfs/dbraw/zinc/31/50/24/837315024.db2.gz	NPBWUTUECGFGCR-ZETCQYMHSA-N	-1	0	250.214	0.042	20	30		CCEDRM
C=C(C)C(=O)OCCNC(=O)c1nc(SC)ncc1[O-]	ZINC001185188383	844358199	/nfs/dbraw/zinc/35/81/99/844358199.db2.gz	ZDJKONXEVPEFOZ-UHFFFAOYSA-N	-1	0	297.336	0.753	20	30		CCEDRM
N#CCNCCNC(=O)c1n[n-]c2ccccc2c1=O	ZINC001134591866	839016509	/nfs/dbraw/zinc/01/65/09/839016509.db2.gz	YHPYLVAOLFYYFK-UHFFFAOYSA-N	-1	0	271.280	0.178	20	30		CCEDRM
N#Cc1c[nH]c2cc(C(=O)NCc3nnn[n-]3)ccc12	ZINC001143974614	839908401	/nfs/dbraw/zinc/90/84/01/839908401.db2.gz	VPWYHUOSFIEHHA-UHFFFAOYSA-N	-1	0	267.252	0.483	20	30		CCEDRM
COC(=O)c1ccccc1[N-]S(=O)(=O)CC#N	ZINC000096470053	842074348	/nfs/dbraw/zinc/07/43/48/842074348.db2.gz	SQTZQHQXURAWRS-UHFFFAOYSA-N	-1	0	254.267	0.738	20	30		CCEDRM
Cc1ccc(C(=O)[O-])cc1N=C(NO)c1nonc1N	ZINC001174982091	842225316	/nfs/dbraw/zinc/22/53/16/842225316.db2.gz	UPJNPYVESGEDQF-UHFFFAOYSA-N	-1	0	277.240	0.716	20	30		CCEDRM
N#CCN(Cc1ccccc1)C(=O)Cc1nnn[n-]1	ZINC001176840667	842428537	/nfs/dbraw/zinc/42/85/37/842428537.db2.gz	MEVWYHKLZCVMAJ-UHFFFAOYSA-N	-1	0	256.269	0.295	20	30		CCEDRM
CON=C(C(=O)NC1C(=O)N=CN=C1[O-])c1ccco1	ZINC001177348694	842561314	/nfs/dbraw/zinc/56/13/14/842561314.db2.gz	REFZFXDXSOZNJD-CHHVJCJISA-N	-1	0	278.224	0.470	20	30		CCEDRM
C=CC[C@@H](NC(=O)[C@H]1CC(=O)N(C2CC2)C1)C(=O)[O-]	ZINC000150146035	842995513	/nfs/dbraw/zinc/99/55/13/842995513.db2.gz	RRHZCVKQLVKJQV-WCBMZHEXSA-N	-1	0	266.297	0.143	20	30		CCEDRM
C=CC[C@H](NC(=O)C1CCN(C(=O)N(C)C)CC1)C(=O)[O-]	ZINC000150195221	843002887	/nfs/dbraw/zinc/00/28/87/843002887.db2.gz	NWULJWZKUCKHJB-NSHDSACASA-N	-1	0	297.355	0.526	20	30		CCEDRM
N#C[C@@H]1COCCN1C(=O)C(F)(F)C(F)(F)C(=O)[O-]	ZINC001180173101	843108833	/nfs/dbraw/zinc/10/88/33/843108833.db2.gz	FSSRMYOPBALIIE-RXMQYKEDSA-N	-1	0	284.165	0.093	20	30		CCEDRM
C=C(C)CCC(=O)N1CC[C@@H](NCc2nc(=O)n(C)[nH]2)C1	ZINC001182932291	843943965	/nfs/dbraw/zinc/94/39/65/843943965.db2.gz	JSZACPVBKBMICH-LLVKDONJSA-N	-1	0	293.371	0.155	20	30		CCEDRM
COC(=O)CCS(=O)(=O)[N-]c1cnccc1C#N	ZINC001188353520	844882452	/nfs/dbraw/zinc/88/24/52/844882452.db2.gz	ZJBHEZRERCFKBL-UHFFFAOYSA-N	-1	0	269.282	0.258	20	30		CCEDRM
Cn1cnc(CNS(=O)(=O)c2cc(C#N)ccc2F)c1	ZINC001190608165	845443601	/nfs/dbraw/zinc/44/36/01/845443601.db2.gz	KFJAFOIEHSETCM-UHFFFAOYSA-N	-1	0	294.311	0.909	20	30		CCEDRM
CC[C@@H](CO)NS(=O)(=O)c1cc(C#N)ccc1F	ZINC001190607945	845443922	/nfs/dbraw/zinc/44/39/22/845443922.db2.gz	FFUQZNOPAUGTCD-VIFPVBQESA-N	-1	0	272.301	0.747	20	30		CCEDRM
C=CCC1(S(=O)(=O)N[C@H]2SC(=O)[N-]C2=O)CC1	ZINC001190821945	845510945	/nfs/dbraw/zinc/51/09/45/845510945.db2.gz	BCDPKRGSMYAODA-ZETCQYMHSA-N	-1	0	276.339	0.324	20	30		CCEDRM
N#Cc1ccc(C(=O)NCC(=O)CCC(=O)[O-])o1	ZINC001192691941	845893926	/nfs/dbraw/zinc/89/39/26/845893926.db2.gz	JBJYIMTWLMVMDL-UHFFFAOYSA-N	-1	0	250.210	0.315	20	30		CCEDRM
N#Cc1ccc(C(=O)n2[n-]c3ccnc(=O)c-3c2N)o1	ZINC001192691791	845894218	/nfs/dbraw/zinc/89/42/18/845894218.db2.gz	ZNCYQUMBCUGOES-UHFFFAOYSA-N	-1	0	269.220	0.412	20	30		CCEDRM
CC(=O)c1cc([N-]S(=O)(=O)CC#N)cnc1C	ZINC001192951633	845934198	/nfs/dbraw/zinc/93/41/98/845934198.db2.gz	NFLIAVBAVBVTNB-UHFFFAOYSA-N	-1	0	253.283	0.858	20	30		CCEDRM
N#CCS(=O)(=O)[N-]c1ccncc1C(F)(F)F	ZINC001192929041	845938118	/nfs/dbraw/zinc/93/81/18/845938118.db2.gz	NCJBNVLGQGCGCD-UHFFFAOYSA-N	-1	0	265.216	0.788	20	30		CCEDRM
N#CCS(=O)(=O)[N-]c1ccc(Cl)nc1C(N)=O	ZINC001192935066	845940579	/nfs/dbraw/zinc/94/05/79/845940579.db2.gz	HTKXSNXQMJKOSL-UHFFFAOYSA-N	-1	0	274.689	0.099	20	30		CCEDRM
Cn1nc([N-]S(=O)(=O)CC#N)c2ccc(Cl)nc21	ZINC001192934662	845940878	/nfs/dbraw/zinc/94/08/78/845940878.db2.gz	BWRJHGGBXKAHLN-UHFFFAOYSA-N	-1	0	285.716	0.887	20	30		CCEDRM
N#CCS(=O)(=O)[N-]c1ccccc1C1=NCCO1	ZINC001192985608	845944830	/nfs/dbraw/zinc/94/48/30/845944830.db2.gz	JGCJYAJVGFLEAL-UHFFFAOYSA-N	-1	0	265.294	0.729	20	30		CCEDRM
COC(=O)c1ccc([N-]S(=O)(=O)[C@H](C)C#N)o1	ZINC001193104200	845978211	/nfs/dbraw/zinc/97/82/11/845978211.db2.gz	GLPWEODHZCQTOB-ZCFIWIBFSA-N	-1	0	258.255	0.720	20	30		CCEDRM
C[C@H](C#N)S(=O)(=O)[N-]c1cncc(Br)n1	ZINC001193104709	845979243	/nfs/dbraw/zinc/97/92/43/845979243.db2.gz	MFORDLCOWUFEOO-RXMQYKEDSA-N	-1	0	291.130	0.893	20	30		CCEDRM
COC(=O)c1ncsc1[N-]S(=O)(=O)[C@H](C)C#N	ZINC001193111934	845980569	/nfs/dbraw/zinc/98/05/69/845980569.db2.gz	MZASITSMITZFAP-RXMQYKEDSA-N	-1	0	275.311	0.583	20	30		CCEDRM
CNC(=O)c1cccnc1[N-]S(=O)(=O)[C@@H](C)C#N	ZINC001193112086	845981084	/nfs/dbraw/zinc/98/10/84/845981084.db2.gz	OGRRJDQQJUIIDG-ZETCQYMHSA-N	-1	0	268.298	0.095	20	30		CCEDRM
CCc1nnc2ccc([N-]S(=O)(=O)[C@@H](C)C#N)cn21	ZINC001193111610	845981467	/nfs/dbraw/zinc/98/14/67/845981467.db2.gz	JGCZTAVUDYXRJJ-QMMMGPOBSA-N	-1	0	279.325	0.945	20	30		CCEDRM
COC(=O)c1nc(OC)ccc1[N-]S(=O)(=O)[C@H](C)C#N	ZINC001193113041	845982539	/nfs/dbraw/zinc/98/25/39/845982539.db2.gz	YAZBUXLVWVODIQ-SSDOTTSWSA-N	-1	0	299.308	0.531	20	30		CCEDRM
C[C@@H](C#N)S(=O)(=O)[N-]c1ccc2c(c1)CN(C)C2=O	ZINC001193146577	846005381	/nfs/dbraw/zinc/00/53/81/846005381.db2.gz	PHUSADRORGFJNM-QMMMGPOBSA-N	-1	0	279.321	0.926	20	30		CCEDRM
COc1cccc(CO)c1[N-]S(=O)(=O)[C@H](C)C#N	ZINC001193149263	846006412	/nfs/dbraw/zinc/00/64/12/846006412.db2.gz	MSPJWFQLJPGSPD-MRVPVSSYSA-N	-1	0	270.310	0.841	20	30		CCEDRM
C[C@H](C#N)S(=O)(=O)[N-]c1cccc2c1N(C)C(=O)NC2	ZINC001193157816	846008138	/nfs/dbraw/zinc/00/81/38/846008138.db2.gz	IOCQRKGFVXDWRX-MRVPVSSYSA-N	-1	0	294.336	1.000	20	30		CCEDRM
Cc1ccc(C(=NC(=O)c2cc(=O)[nH][n-]2)NO)nc1	ZINC001193476644	846088885	/nfs/dbraw/zinc/08/88/85/846088885.db2.gz	ZHWPZYIWEHFOFC-UHFFFAOYSA-N	-1	0	261.241	0.385	20	30		CCEDRM
N#Cc1cc(C(=O)NCCn2ccnn2)ccc1[O-]	ZINC001193494085	846093546	/nfs/dbraw/zinc/09/35/46/846093546.db2.gz	JCURJAPQSCNASA-UHFFFAOYSA-N	-1	0	257.253	0.285	20	30		CCEDRM
N#Cc1ccccc1N1CCN(C(=O)c2cc(=O)[nH][n-]2)CC1	ZINC001193457341	846095087	/nfs/dbraw/zinc/09/50/87/846095087.db2.gz	VVUQSVUBQAFVHG-UHFFFAOYSA-N	-1	0	297.318	0.949	20	30		CCEDRM
N#Cc1cc(C(=O)NCc2ccncn2)ccc1[O-]	ZINC001193511836	846101620	/nfs/dbraw/zinc/10/16/20/846101620.db2.gz	GOHZLCNDOHULAU-UHFFFAOYSA-N	-1	0	254.249	0.984	20	30		CCEDRM
N#Cc1cc(C(=O)N[C@H]2COCC[C@@H]2O)ccc1[O-]	ZINC001193515489	846103078	/nfs/dbraw/zinc/10/30/78/846103078.db2.gz	NUFXNQBRVAOJOM-JQWIXIFHSA-N	-1	0	262.265	0.143	20	30		CCEDRM
N#Cc1cccc(C(=O)Nc2nccnc2C(N)=O)c1[O-]	ZINC001193642425	846134980	/nfs/dbraw/zinc/13/49/80/846134980.db2.gz	FLNSCIIBQXKSKI-UHFFFAOYSA-N	-1	0	283.247	0.405	20	30		CCEDRM
N#Cc1cccc(C(=O)N2CCN(C(N)=O)CC2)c1[O-]	ZINC001193644022	846135431	/nfs/dbraw/zinc/13/54/31/846135431.db2.gz	LVKFQRZZTIMGFI-UHFFFAOYSA-N	-1	0	274.280	0.100	20	30		CCEDRM
N#Cc1cccc(C(=O)N2CC[C@H](CO)[C@H](O)C2)c1[O-]	ZINC001193642337	846135635	/nfs/dbraw/zinc/13/56/35/846135635.db2.gz	DVVVNNUYJBHKPT-ZYHUDNBSSA-N	-1	0	276.292	0.079	20	30		CCEDRM
N#Cc1cncc(C(=O)NCC(=O)CCC(=O)[O-])c1	ZINC001194121424	846217973	/nfs/dbraw/zinc/21/79/73/846217973.db2.gz	OVDTWWUNTZDQIV-UHFFFAOYSA-N	-1	0	261.237	0.117	20	30		CCEDRM
COc1ccc(S(=O)(=O)[N-]c2cnn(C)c2C#N)cn1	ZINC001195695779	846604555	/nfs/dbraw/zinc/60/45/55/846604555.db2.gz	YWJHOWIIDVIMBF-UHFFFAOYSA-N	-1	0	293.308	0.496	20	30		CCEDRM
N#Cc1ccc(C(=O)NCCN2CC3(COC3)C2)c([O-])c1	ZINC001195764994	846613327	/nfs/dbraw/zinc/61/33/27/846613327.db2.gz	VOZIVLSGGNCZSY-UHFFFAOYSA-N	-1	0	287.319	0.326	20	30		CCEDRM
CSCC[C@H](NC(=O)c1ccc(C#N)cc1[O-])C(N)=O	ZINC001195768905	846614922	/nfs/dbraw/zinc/61/49/22/846614922.db2.gz	RBFAZJYFINCDSH-JTQLQIEISA-N	-1	0	293.348	0.601	20	30		CCEDRM
Cc1noc([N-]S(=O)(=O)c2cnc(C)n2C)c1C#N	ZINC001198344675	847093496	/nfs/dbraw/zinc/09/34/96/847093496.db2.gz	XSJYMXWADGPCNW-UHFFFAOYSA-N	-1	0	281.297	0.697	20	30		CCEDRM
C#CC[C@H](CO)NC(=O)[C@H]1CCC[C@@H](C(=O)[O-])C1	ZINC000717711765	848286563	/nfs/dbraw/zinc/28/65/63/848286563.db2.gz	UCCWDRWHFZRDKN-HBNTYKKESA-N	-1	0	253.298	0.378	20	30		CCEDRM
C#CC[C@H](CO)NC(=O)[C@@H]1CCCC[C@@H]1C(=O)[O-]	ZINC000717709848	848287184	/nfs/dbraw/zinc/28/71/84/848287184.db2.gz	IGLVZSIFJXQYAY-MXWKQRLJSA-N	-1	0	253.298	0.378	20	30		CCEDRM
C#CCN(C(=O)NCCOCC(=O)[O-])C1CCCC1	ZINC000688814475	849195753	/nfs/dbraw/zinc/19/57/53/849195753.db2.gz	XWKUFQMLVYWORU-UHFFFAOYSA-N	-1	0	268.313	0.675	20	30		CCEDRM
N#Cc1cccc(NC(=O)N[C@H]2SC(=O)[N-]C2=O)c1	ZINC001202790612	849780426	/nfs/dbraw/zinc/78/04/26/849780426.db2.gz	IUVMHHRWMSSNIF-VIFPVBQESA-N	-1	0	276.277	0.989	20	30		CCEDRM
Cc1[nH]nc(C(=O)N2CC[C@H]3CC[C@@H](C2)N3CC#N)c1[O-]	ZINC001045756046	851308298	/nfs/dbraw/zinc/30/82/98/851308298.db2.gz	PGDCZKHIRAQPMO-MNOVXSKESA-N	-1	0	289.339	0.626	20	30		CCEDRM
C#Cc1cccnc1[N-]S(=O)(=O)c1cnn(C)c1	ZINC001259820136	851313418	/nfs/dbraw/zinc/31/34/18/851313418.db2.gz	BASKOBDOICPDBA-UHFFFAOYSA-N	-1	0	262.294	0.597	20	30		CCEDRM
C=CCCOCCNC(=O)N[C@H](CC(F)F)C(=O)[O-]	ZINC000388346565	853974471	/nfs/dbraw/zinc/97/44/71/853974471.db2.gz	BAZBISOUAWJLCV-MRVPVSSYSA-N	-1	0	280.271	0.987	20	30		CCEDRM
C#CC[C@H](NC(=O)CC[C@H]1CCCCO1)C(=O)[O-]	ZINC000149715991	853994674	/nfs/dbraw/zinc/99/46/74/853994674.db2.gz	ZGQGUZUCRLEKSV-MNOVXSKESA-N	-1	0	253.298	0.928	20	30		CCEDRM
Cc1n[nH]c(C(=O)N[C@]23CCC[C@H]2CN(CC#N)C3)c1[O-]	ZINC001098795435	854888939	/nfs/dbraw/zinc/88/89/39/854888939.db2.gz	XJFFDPZOTSGRJY-HZMBPMFUSA-N	-1	0	289.339	0.532	20	30		CCEDRM
Cc1nc(C(=O)OCc2n[nH]c(=O)[n-]2)ccc1C#N	ZINC001116466294	855771254	/nfs/dbraw/zinc/77/12/54/855771254.db2.gz	RZAXHOVKXVJKEJ-UHFFFAOYSA-N	-1	0	259.225	0.442	20	30		CCEDRM
C=CC[C@H](NC(=O)COc1cccnc1)C(=O)[O-]	ZINC001118913208	856488919	/nfs/dbraw/zinc/48/89/19/856488919.db2.gz	GCSMSVBUWIUWIC-JTQLQIEISA-N	-1	0	250.254	0.606	20	30		CCEDRM
N#Cc1nc(NC(=O)CCc2ncccn2)[n-]c1C#N	ZINC001119635156	856797082	/nfs/dbraw/zinc/79/70/82/856797082.db2.gz	KAWGTQCTDSDLGR-UHFFFAOYSA-N	-1	0	267.252	0.514	20	30		CCEDRM
C=C(C)C[C@@H](NC(=O)c1ccc(=O)[nH]n1)C(=O)[O-]	ZINC001119638345	856798233	/nfs/dbraw/zinc/79/82/33/856798233.db2.gz	PNFRFFAISAOBQT-MRVPVSSYSA-N	-1	0	251.242	0.331	20	30		CCEDRM
CO[N-]C(=O)C(=O)Nc1ccc(F)cc1OCC#N	ZINC001324383444	912814656	/nfs/dbraw/zinc/81/46/56/912814656.db2.gz	UQLMLQGIYYHPSO-UHFFFAOYSA-N	-1	0	267.216	0.344	20	30		CCEDRM
C#CCOCCNC(=O)C(=O)[N-]OCc1ccccc1	ZINC001324879144	913081763	/nfs/dbraw/zinc/08/17/63/913081763.db2.gz	XTNOOUNISWUQFR-UHFFFAOYSA-N	-1	0	276.292	0.000	20	30		CCEDRM
CC[C@@H]1C[C@@H](C)CN1c1[n-]c(=O)n(C)c(=O)c1C#N	ZINC001515539790	896073313	/nfs/dbraw/zinc/07/33/13/896073313.db2.gz	ZEZURKRPFPJWEI-RKDXNWHRSA-N	-1	0	262.313	0.570	20	30		CCEDRM
CC[C@H](C)[C@@](C)(O)CNc1[n-]c(=O)n(C)c(=O)c1C#N	ZINC001364532079	898160733	/nfs/dbraw/zinc/16/07/33/898160733.db2.gz	JOBVMLNEPNMJTN-SDBXPKJASA-N	-1	0	280.328	0.154	20	30		CCEDRM
C=CC[C@@H](NC(=O)NCC1(OC)CCOCC1)C(=O)[O-]	ZINC001321584102	900980308	/nfs/dbraw/zinc/98/03/08/900980308.db2.gz	XEBDJPUIXGGZJV-SNVBAGLBSA-N	-1	0	286.328	0.511	20	30		CCEDRM
Cc1cc(C#N)c(=O)[n-]c1C(=O)N[C@@H](C)c1nc[nH]n1	ZINC001411943532	901347512	/nfs/dbraw/zinc/34/75/12/901347512.db2.gz	LNVAGUXYTPGZKJ-ZETCQYMHSA-N	-1	0	272.268	0.576	20	30		CCEDRM
COCC[C@@H](CO)NC(=O)c1[n-]c(=O)c(C#N)cc1C	ZINC001412886527	902331145	/nfs/dbraw/zinc/33/11/45/902331145.db2.gz	AHDIMIUDFGWDPF-JTQLQIEISA-N	-1	0	279.296	0.095	20	30		CCEDRM
Cc1cc(C#N)c(=O)[n-]c1C(=O)N[C@]1(C)CCOC1=O	ZINC001413051850	902592268	/nfs/dbraw/zinc/59/22/68/902592268.db2.gz	AERATHCADHIBFZ-CYBMUJFWSA-N	-1	0	275.264	0.403	20	30		CCEDRM
C=CCCC(=O)N(C)CCCNC(=O)c1[nH]nc(C)c1[O-]	ZINC001283523673	904892986	/nfs/dbraw/zinc/89/29/86/904892986.db2.gz	LNRCPSQTMSRVCJ-UHFFFAOYSA-N	-1	0	294.355	0.968	20	30		CCEDRM
C#CCCCC(=O)N[C@H](C)CNC(=O)c1[nH]nc(C)c1[O-]	ZINC001284224850	905203971	/nfs/dbraw/zinc/20/39/71/905203971.db2.gz	AZULDILULVOBGO-SECBINFHSA-N	-1	0	292.339	0.462	20	30		CCEDRM
C=C(C)CN(CC)c1nnnn1CC(=O)[N-]OCC	ZINC001337644006	921280695	/nfs/dbraw/zinc/28/06/95/921280695.db2.gz	FQUWEFJXVPFZRQ-UHFFFAOYSA-N	-1	0	268.321	0.143	20	30		CCEDRM
CC(C)OCCCNc1[n-]c(=O)n(C)c(=O)c1C#N	ZINC001337760320	921290679	/nfs/dbraw/zinc/29/06/79/921290679.db2.gz	RXMLCSMUGNHWEY-UHFFFAOYSA-N	-1	0	266.301	0.172	20	30		CCEDRM
C#Cc1ccc(NC(=O)C(=O)[N-]OCCOCC)cc1	ZINC001337918628	921303464	/nfs/dbraw/zinc/30/34/64/921303464.db2.gz	VNCNRTRWISXRPO-UHFFFAOYSA-N	-1	0	276.292	0.691	20	30		CCEDRM
Cc1cc(Cl)cc(C(=O)N[C@@H]2CCN(O)C2=O)c1N	ZINC001298426320	907238865	/nfs/dbraw/zinc/23/88/65/907238865.db2.gz	ORCXXTCSRWHFEB-SECBINFHSA-N	-1	0	283.715	0.951	20	30		CCEDRM
C#CCN(CC#N)Cc1snc(OC)c1C(=O)[O-]	ZINC001588466039	983497958	/nfs/dbraw/zinc/49/79/58/983497958.db2.gz	RZJXKLSFBPGNFR-UHFFFAOYSA-N	-1	0	265.294	0.809	20	30		CCEDRM
CCOC(=O)c1cc(CN[C@@H]2CCCN(O)C2=O)[nH]n1	ZINC001308843750	908438804	/nfs/dbraw/zinc/43/88/04/908438804.db2.gz	OBVBKCMCTRERHW-SECBINFHSA-N	-1	0	282.300	0.056	20	30		CCEDRM
CCCC(C)(C)NC(=O)CCn1cc(C#N)c(=O)[n-]c1=O	ZINC001417621957	921465268	/nfs/dbraw/zinc/46/52/68/921465268.db2.gz	JSGORMQNASZMGR-UHFFFAOYSA-N	-1	0	292.339	0.906	20	30		CCEDRM
Cc1cc(C#N)c(=O)[n-]c1C(=O)N(C)Cc1cc[nH]n1	ZINC001417642094	921487511	/nfs/dbraw/zinc/48/75/11/921487511.db2.gz	VTQJKYRMNIVDIX-UHFFFAOYSA-N	-1	0	271.280	0.963	20	30		CCEDRM
CSc1[n-]c(=O)c(C(=O)N(C)CC#N)cc1C#N	ZINC001319994978	910406441	/nfs/dbraw/zinc/40/64/41/910406441.db2.gz	VQHMCXZQSRDYOM-UHFFFAOYSA-N	-1	0	262.294	0.976	20	30		CCEDRM
C=CCOc1cccnc1C(=O)NCc1nc(=O)o[n-]1	ZINC001320059366	910442604	/nfs/dbraw/zinc/44/26/04/910442604.db2.gz	NWWNVYIVWGOWFV-UHFFFAOYSA-N	-1	0	276.252	0.253	20	30		CCEDRM
C=CC[C@H](NC(=O)NCc1nnc2n1CCCC2)C(=O)[O-]	ZINC001321277043	911200047	/nfs/dbraw/zinc/20/00/47/911200047.db2.gz	MMZFMLZSTZSVDV-VIFPVBQESA-N	-1	0	293.327	0.443	20	30		CCEDRM
Cc1cc(C(=O)N(C)CC#N)[nH]c2nc(=O)[n-]c(=O)c1-2	ZINC001339496097	921739728	/nfs/dbraw/zinc/73/97/28/921739728.db2.gz	RTHSPHBWJNRXBL-UHFFFAOYSA-N	-1	0	273.252	0.340	20	30		CCEDRM
C=CC[C@H](NC(=O)c1cc2n(n1)CCCC2)C(=O)[O-]	ZINC001339524023	921749350	/nfs/dbraw/zinc/74/93/50/921749350.db2.gz	ONKKNELKZHUKDX-JTQLQIEISA-N	-1	0	263.297	0.979	20	30		CCEDRM
C=CC(C)(C)C(=O)N1CCN([C@@]2(C(=O)[O-])CCOC2)CC1	ZINC001339539415	921754645	/nfs/dbraw/zinc/75/46/45/921754645.db2.gz	LIMVZJMJZMLKDS-HNNXBMFYSA-N	-1	0	296.367	0.587	20	30		CCEDRM
C=CC1CCN(c2nc3c(nc([O-])n(C)c3=O)[nH]2)CC1	ZINC001339579616	921767042	/nfs/dbraw/zinc/76/70/42/921767042.db2.gz	TXJITOLDVXWMKL-UHFFFAOYSA-N	-1	0	275.312	0.765	20	30		CCEDRM
Cc1n[nH]c(C(=O)N[C@H](C)[C@@H](C)NCC#N)c1[O-]	ZINC001329016324	915593021	/nfs/dbraw/zinc/59/30/21/915593021.db2.gz	RYHOCYUYAPDZAL-RNFRBKRXSA-N	-1	0	251.290	0.044	20	30		CCEDRM
C[C@H](C#N)C(=O)N[C@H]1CCCN(Cc2n[nH]c(=O)[n-]2)CC1	ZINC001402609265	917126156	/nfs/dbraw/zinc/12/61/56/917126156.db2.gz	SHURTHWJIWBBEG-ZJUUUORDSA-N	-1	0	292.343	0.141	20	30		CCEDRM
C=CC[C@@H](NC(=O)c1cnn(CCOCC)c1)C(=O)[O-]	ZINC001331339835	917274942	/nfs/dbraw/zinc/27/49/42/917274942.db2.gz	YYCXXSXXWLROEJ-LLVKDONJSA-N	-1	0	281.312	0.679	20	30		CCEDRM
C=CC[C@H](C)OC(=O)CNS(=O)(=O)CCOCC	ZINC001331541876	917403686	/nfs/dbraw/zinc/40/36/86/917403686.db2.gz	JFOJCPPRBKMDQG-JTQLQIEISA-N	-1	0	279.358	0.450	20	30		CCEDRM
C=CC[C@@H](NC(=O)[C@@H](C)Cc1cnn(C)c1)C(=O)[O-]	ZINC001332136843	917896572	/nfs/dbraw/zinc/89/65/72/917896572.db2.gz	RMNRSQIMOHEMMW-GXSJLCMTSA-N	-1	0	265.313	0.744	20	30		CCEDRM
C=CC[C@H](NC(=O)c1cc(N(C)C)ccn1)C(=O)[O-]	ZINC001332173079	917930842	/nfs/dbraw/zinc/93/08/42/917930842.db2.gz	VHNVWDOHLMDZDK-JTQLQIEISA-N	-1	0	263.297	0.907	20	30		CCEDRM
C=CCCn1cc(C(=O)N2CC([C@H](F)C(=O)[O-])C2)nn1	ZINC001332177303	917934646	/nfs/dbraw/zinc/93/46/46/917934646.db2.gz	YRIIGNOBFWDTNX-JTQLQIEISA-N	-1	0	282.275	0.349	20	30		CCEDRM
C=CCC(C)(C)C(=O)O[C@@H](C)C(=O)NCC(=O)[O-]	ZINC001588736835	984027089	/nfs/dbraw/zinc/02/70/89/984027089.db2.gz	WIUYTEMTBTZCML-QMMMGPOBSA-N	-1	0	257.286	0.721	20	30		CCEDRM
C=CC[C@@H](NC(=O)CCCn1cncn1)C(=O)[O-]	ZINC001334165172	919393797	/nfs/dbraw/zinc/39/37/97/919393797.db2.gz	ZEHVKPSVQDBDQI-SECBINFHSA-N	-1	0	252.274	0.204	20	30		CCEDRM
O=C(N[C@H]1CCN(O)C1=O)c1ncc(Cl)s1	ZINC001334726067	919727779	/nfs/dbraw/zinc/72/77/79/919727779.db2.gz	PJRRBKFXQIRIKP-BYPYZUCNSA-N	-1	0	261.690	0.516	20	30		CCEDRM
C=CC[C@@H]1CCN1C(=O)c1c[n-]n2c1nccc2=O	ZINC001335364019	920147227	/nfs/dbraw/zinc/14/72/27/920147227.db2.gz	SEMRRVSHKYXJEF-SECBINFHSA-N	-1	0	258.281	0.813	20	30		CCEDRM
C#CCN1CCC[C@H]1C(=O)N[C@H]1C[C@H]2C[C@H](C(=O)[O-])C[C@H]21	ZINC001336392506	920752699	/nfs/dbraw/zinc/75/26/99/920752699.db2.gz	IRPJTPCMUYEBJS-BJJPWKGXSA-N	-1	0	290.363	0.700	20	30		CCEDRM
C=CC[C@@H]1CCCN(c2[n-]c(=O)n(C)c(=O)c2C#N)C1	ZINC001336694608	920932666	/nfs/dbraw/zinc/93/26/66/920932666.db2.gz	ZPTRZECLTXADMG-SNVBAGLBSA-N	-1	0	274.324	0.738	20	30		CCEDRM
CCN(Cc1nc2c(c(=O)[nH]1)COCC2)[C@H](C)C#N	ZINC001336789776	921013739	/nfs/dbraw/zinc/01/37/39/921013739.db2.gz	CRVWGNGQWQQPRD-SECBINFHSA-N	-1	0	262.313	0.989	20	30		CCEDRM
C=C(C)C[C@@H](CO)NC(=O)NCCCCC(=O)[O-]	ZINC001341328047	922428455	/nfs/dbraw/zinc/42/84/55/922428455.db2.gz	SXSIXZZLOAJPKC-JTQLQIEISA-N	-1	0	258.318	0.868	20	30		CCEDRM
C=CCn1cc(C([O-])=C(C#N)C(=O)NC2CC2)nn1	ZINC001341948946	922734186	/nfs/dbraw/zinc/73/41/86/922734186.db2.gz	FGTJPNHBBPHIJB-VIFPVBQESA-N	-1	0	259.269	0.065	20	30		CCEDRM
Cn1nc(C2CC2)cc1C([O-])=C(C#N)C(=O)NC1CC1	ZINC001342050443	922779532	/nfs/dbraw/zinc/77/95/32/922779532.db2.gz	YJHOFJITFWMFGX-JTQLQIEISA-N	-1	0	272.308	0.899	20	30		CCEDRM
C=C(C)Cn1c(-c2cc(=O)[nH][n-]2)nnc1N1CC=CCC1	ZINC001342149748	922836305	/nfs/dbraw/zinc/83/63/05/922836305.db2.gz	MHMUWRYURULSPT-UHFFFAOYSA-N	-1	0	286.339	0.845	20	30		CCEDRM
C=CCN(C)c1nnc(-c2cc(=O)[nH][n-]2)n1CC=C	ZINC001342240694	922871861	/nfs/dbraw/zinc/87/18/61/922871861.db2.gz	DQKWOJAJDJWOCU-UHFFFAOYSA-N	-1	0	260.301	0.310	20	30		CCEDRM
C[C@H](NC(=O)CCc1nnn[n-]1)c1cccc(C#N)c1	ZINC001419628574	922955680	/nfs/dbraw/zinc/95/56/80/922955680.db2.gz	OPEGCVZZUQUEQN-VIFPVBQESA-N	-1	0	270.296	0.881	20	30		CCEDRM
COC(=O)c1ccc(C([O-])=C(C#N)C(=O)NC2CC2)o1	ZINC001342578592	923010428	/nfs/dbraw/zinc/01/04/28/923010428.db2.gz	FVDLMMYZRMVYBU-MRVPVSSYSA-N	-1	0	276.248	0.667	20	30		CCEDRM
C=C(C)CN(C)c1nnc(-c2cc(=O)[nH][n-]2)n1CC	ZINC001342787684	923088690	/nfs/dbraw/zinc/08/86/90/923088690.db2.gz	FQMJDFIBDFMHDQ-UHFFFAOYSA-N	-1	0	262.317	0.534	20	30		CCEDRM
Cn1nnc2c1nccc2C([O-])=C(C#N)c1ccncn1	ZINC001343368163	923287104	/nfs/dbraw/zinc/28/71/04/923287104.db2.gz	RPRYQFNIMHFCEA-VIFPVBQESA-N	-1	0	279.263	0.643	20	30		CCEDRM
Cn1cnc(C([O-])=C(C#N)c2nnc3n2CCCCC3)n1	ZINC001343386037	923292078	/nfs/dbraw/zinc/29/20/78/923292078.db2.gz	IUZIVGGQRDNIAA-VIFPVBQESA-N	-1	0	285.311	0.623	20	30		CCEDRM
C=C(C)CO[N-]C(=O)c1ccc(=O)n(CCOC)n1	ZINC001346305732	924153657	/nfs/dbraw/zinc/15/36/57/924153657.db2.gz	HPHBTTOARKRTMF-UHFFFAOYSA-N	-1	0	267.285	0.127	20	30		CCEDRM
C=C(C)C[C@H](NC(=O)CN1CCC(CO)CC1)C(=O)[O-]	ZINC001346310387	924155175	/nfs/dbraw/zinc/15/51/75/924155175.db2.gz	BHNRBZAELREXNO-LBPRGKRZSA-N	-1	0	284.356	0.226	20	30		CCEDRM
Cc1cnc(CCNc2[n-]c(=O)n(C)c(=O)c2C#N)c(C)c1	ZINC001421169503	924188009	/nfs/dbraw/zinc/18/80/09/924188009.db2.gz	UKKDIYIIWGISTR-UHFFFAOYSA-N	-1	0	299.334	0.612	20	30		CCEDRM
C=C[C@@H](CC(=O)N[C@H](CO)C(=O)[O-])c1ccccc1	ZINC001350781570	925278747	/nfs/dbraw/zinc/27/87/47/925278747.db2.gz	BARKDQDECJAQIH-CMPLNLGQSA-N	-1	0	263.293	0.908	20	30		CCEDRM
N#Cc1nc(NC(=O)c2cncc(C=O)c2)[n-]c1C#N	ZINC001300044535	925593640	/nfs/dbraw/zinc/59/36/40/925593640.db2.gz	HXQVZRMDNUTCGL-UHFFFAOYSA-N	-1	0	266.220	0.613	20	30		CCEDRM
C#CCCCNC(=O)N(CCOC)CCC(=O)[O-]	ZINC001353003353	925698380	/nfs/dbraw/zinc/69/83/80/925698380.db2.gz	FFQSJHUPUDDMFX-UHFFFAOYSA-N	-1	0	256.302	0.533	20	30		CCEDRM
CCO[N-]C(=O)CNC(=O)[C@@H](CC#N)c1ccccc1	ZINC001300269664	925805133	/nfs/dbraw/zinc/80/51/33/925805133.db2.gz	DJIUHZXEBMDZJD-LBPRGKRZSA-N	-1	0	275.308	0.868	20	30		CCEDRM
C=CC(C)(C)CC(=O)[N-]S(=O)(=O)CCCC(=O)OC	ZINC001353501069	925851483	/nfs/dbraw/zinc/85/14/83/925851483.db2.gz	UQESJXODUGNXNT-UHFFFAOYSA-N	-1	0	291.369	0.988	20	30		CCEDRM
C=CC[C@@H](NC(=O)c1cnn(C)c1OC)C(=O)[O-]	ZINC001354047014	925996126	/nfs/dbraw/zinc/99/61/26/925996126.db2.gz	JOYLDOVFOSHFKE-MRVPVSSYSA-N	-1	0	253.258	0.188	20	30		CCEDRM
C#CC[C@H](CO)NC(=O)c1ccoc1CC(=O)[O-]	ZINC001354084391	926009845	/nfs/dbraw/zinc/00/98/45/926009845.db2.gz	XCUFKRLLGPHOOO-MRVPVSSYSA-N	-1	0	251.238	0.021	20	30		CCEDRM
C#C[C@H]1CCCN(c2nnc(-c3cc(=O)[nH][n-]3)n2CC=C)C1	ZINC001356038897	926338105	/nfs/dbraw/zinc/33/81/05/926338105.db2.gz	YEWGGNWSRMTLNW-NSHDSACASA-N	-1	0	298.350	0.538	20	30		CCEDRM
C=CCNC(=O)C(C#N)=C([O-])c1scnc1COC	ZINC001356089099	926341784	/nfs/dbraw/zinc/34/17/84/926341784.db2.gz	WFVRIDQHOKCYFK-MRVPVSSYSA-N	-1	0	279.321	0.914	20	30		CCEDRM
C=C(C)Cn1c(Cc2nn[nH]n2)nnc1N1CC[C@@H](C)C1	ZINC001356228827	926356782	/nfs/dbraw/zinc/35/67/82/926356782.db2.gz	VQAUVDANWSYZKO-SNVBAGLBSA-N	-1	0	288.359	0.804	20	30		CCEDRM
COC(=O)c1cccc(Cn2c(=O)[n-]cc(C#N)c2=O)c1	ZINC001413931236	926931895	/nfs/dbraw/zinc/93/18/95/926931895.db2.gz	PLQXZSCOMVVRPA-UHFFFAOYSA-N	-1	0	285.259	0.243	20	30		CCEDRM
C=CC[C@@H](NC(=O)[C@H]1CCCN1c1ncccn1)C(=O)[O-]	ZINC000150338351	926950450	/nfs/dbraw/zinc/95/04/50/926950450.db2.gz	VIONOXZTJABLRG-GHMZBOCLSA-N	-1	0	290.323	0.591	20	30		CCEDRM
N#Cc1cn(CCC(=O)Nc2cccnc2)c(=O)[n-]c1=O	ZINC001361741828	927292176	/nfs/dbraw/zinc/29/21/76/927292176.db2.gz	DIYPTZGQFWTWMN-UHFFFAOYSA-N	-1	0	285.263	0.244	20	30		CCEDRM
CN(CCC#N)C(=O)c1cccc(-n2[n-]nnc2=N)c1	ZINC001361925936	927452393	/nfs/dbraw/zinc/45/23/93/927452393.db2.gz	LCBLGMQTPIOPQD-UHFFFAOYSA-N	-1	0	271.284	0.061	20	30		CCEDRM
CC(C)CN(CCC#N)C(=O)CCCn1c(=O)[n-][nH]c1=O	ZINC001361972765	927488016	/nfs/dbraw/zinc/48/80/16/927488016.db2.gz	AEWMRYPSTDDOEU-UHFFFAOYSA-N	-1	0	295.343	0.868	20	30		CCEDRM
C[C@@H]1CCCC[C@H]1NC(=O)Cn1cc(C#N)c(=O)[n-]c1=O	ZINC001361999139	927508104	/nfs/dbraw/zinc/50/81/04/927508104.db2.gz	JDEPXJKNPYGNTI-MWLCHTKSSA-N	-1	0	290.323	0.515	20	30		CCEDRM
CC1(CCNC(=O)Cn2cc(C#N)c(=O)[n-]c2=O)CC1	ZINC001362499150	928102073	/nfs/dbraw/zinc/10/20/73/928102073.db2.gz	ZXQFXXGHZIPTOP-UHFFFAOYSA-N	-1	0	276.296	0.127	20	30		CCEDRM
N#Cc1cccc(C2(NC(=O)CCc3nnn[n-]3)CC2)c1	ZINC001362527405	928138096	/nfs/dbraw/zinc/13/80/96/928138096.db2.gz	MRQQLHXPHIQDQM-UHFFFAOYSA-N	-1	0	282.307	0.809	20	30		CCEDRM
COc1cc(C(=O)N(C)Cc2nc(=O)o[n-]2)ccc1C#N	ZINC001362603562	928237101	/nfs/dbraw/zinc/23/71/01/928237101.db2.gz	GQSZRWYFCMJYMG-UHFFFAOYSA-N	-1	0	288.263	0.515	20	30		CCEDRM
Cc1cc(C#N)c(=O)[n-]c1C(=O)NC[C@H]1CCC[C@@H]1O	ZINC001362814364	928523653	/nfs/dbraw/zinc/52/36/53/928523653.db2.gz	XOBSYSIIWHEFFS-KOLCDFICSA-N	-1	0	275.308	0.858	20	30		CCEDRM
N#Cc1nc(NC(=O)[C@@H]2CCCN2C(=O)C2CC2)[n-]c1C#N	ZINC001362866426	928593670	/nfs/dbraw/zinc/59/36/70/928593670.db2.gz	QTNXTIJMKCBQET-NSHDSACASA-N	-1	0	298.306	0.493	20	30		CCEDRM
N#CC[C@@H](C(=O)Nn1c(=O)[n-][nH]c1=O)c1ccccc1	ZINC001362951479	928690850	/nfs/dbraw/zinc/69/08/50/928690850.db2.gz	ZFUOMUYATYCLPV-SECBINFHSA-N	-1	0	273.252	0.457	20	30		CCEDRM
Cc1[nH]c(C#N)cc1C(=O)NCc1nc([O-])cc(=O)[nH]1	ZINC001363148406	928922065	/nfs/dbraw/zinc/92/20/65/928922065.db2.gz	ACUDEWGTKSONQL-UHFFFAOYSA-N	-1	0	273.252	0.326	20	30		CCEDRM
C[C@]12COC[C@@H]1C[N@H+](Cc1cc(=O)n3[n-]cc(C#N)c3n1)C2	ZINC001363264732	929048922	/nfs/dbraw/zinc/04/89/22/929048922.db2.gz	DBBNRVHWQWCGHX-NHYWBVRUSA-N	-1	0	299.334	0.775	20	30		CCEDRM
Cc1cc(C#N)c(=O)[n-]c1C(=O)N[C@@H]1CCCN(C)C1=O	ZINC001363269186	929052624	/nfs/dbraw/zinc/05/26/24/929052624.db2.gz	FPOBWVLMOUJRTG-SNVBAGLBSA-N	-1	0	288.307	0.318	20	30		CCEDRM
CC(C)CN(Cc1nnn[n-]1)C(=O)c1cc(C#N)ccn1	ZINC001363357588	929146071	/nfs/dbraw/zinc/14/60/71/929146071.db2.gz	SPTPMECDAIEWEC-UHFFFAOYSA-N	-1	0	285.311	0.765	20	30		CCEDRM
N#Cc1c[nH]nc1NC(=O)c1cc2c(cc1[O-])OCO2	ZINC001363461156	929264347	/nfs/dbraw/zinc/26/43/47/929264347.db2.gz	PFUHSFROIVKJJZ-UHFFFAOYSA-N	-1	0	272.220	0.968	20	30		CCEDRM
CN(C)C(=O)CCCC(=O)Nc1nc(C#N)c(C#N)[n-]1	ZINC001363467916	929270185	/nfs/dbraw/zinc/27/01/85/929270185.db2.gz	WBMOYHXVMLGQOL-UHFFFAOYSA-N	-1	0	274.284	0.350	20	30		CCEDRM
C[C@@H](NC(=O)Cn1c(=O)[n-][nH]c1=O)c1cccc(C#N)c1	ZINC001363493575	929299854	/nfs/dbraw/zinc/29/98/54/929299854.db2.gz	HOINJBOBQLPCDQ-MRVPVSSYSA-N	-1	0	287.279	0.438	20	30		CCEDRM
CC(C)(C#N)C(=O)N[C@H](c1nnn[n-]1)c1ccccc1	ZINC001363494618	929300052	/nfs/dbraw/zinc/30/00/52/929300052.db2.gz	IAVXPFOPNIRNQR-JTQLQIEISA-N	-1	0	270.296	0.955	20	30		CCEDRM
Cc1n[nH]c(C(=O)NCC[C@@H](C)NC(=O)[C@@H](C)C#N)c1[O-]	ZINC001429010414	929363928	/nfs/dbraw/zinc/36/39/28/929363928.db2.gz	JEEJWYUMPDGEAN-JGVFFNPUSA-N	-1	0	293.327	0.208	20	30		CCEDRM
Cc1n[nH]c(C(=O)NCC[C@@H](C)NC(=O)[C@H](C)C#N)c1[O-]	ZINC001429010413	929364784	/nfs/dbraw/zinc/36/47/84/929364784.db2.gz	JEEJWYUMPDGEAN-HTQZYQBOSA-N	-1	0	293.327	0.208	20	30		CCEDRM
Cc1cc(C#N)c(=O)[n-]c1C(=O)N1CC[C@@H]([C@@H](C)O)C1	ZINC001446730589	930467516	/nfs/dbraw/zinc/46/75/16/930467516.db2.gz	ALUPKWISOBBCRV-NXEZZACHSA-N	-1	0	275.308	0.810	20	30		CCEDRM
N#CC1(CNC(=O)c2cccc(-n3[n-]nnc3=N)c2)CC1	ZINC001448539631	930913511	/nfs/dbraw/zinc/91/35/11/930913511.db2.gz	FMXWEHIHTNJIMF-UHFFFAOYSA-N	-1	0	283.295	0.108	20	30		CCEDRM
C=CCO[N-]C(=O)CNC(=O)c1cccc(OC)c1	ZINC001449656308	931175391	/nfs/dbraw/zinc/17/53/91/931175391.db2.gz	LXGYCTHSCZAQMQ-UHFFFAOYSA-N	-1	0	264.281	0.659	20	30		CCEDRM
Cc1n[nH]c(C(=O)NC[C@@H](C)N(C)C(=O)[C@@H](C)C#N)c1[O-]	ZINC001449874558	931203074	/nfs/dbraw/zinc/20/30/74/931203074.db2.gz	VNIYYUFUVFLFSC-JGVFFNPUSA-N	-1	0	293.327	0.160	20	30		CCEDRM
C#CC1(NC(=O)NCCOCC(=O)[O-])CCCC1	ZINC001602672097	971236749	/nfs/dbraw/zinc/23/67/49/971236749.db2.gz	HOKARZIVIOKFPS-UHFFFAOYSA-N	-1	0	254.286	0.333	20	30		CCEDRM
C#CC1(NC(=O)c2cn(CC(=O)[O-])nn2)CCCC1	ZINC001602672975	971239455	/nfs/dbraw/zinc/23/94/55/971239455.db2.gz	RZTALNVGYCQOTD-UHFFFAOYSA-N	-1	0	262.269	0.039	20	30		CCEDRM
C#C[C@H](NCCS(=O)(=O)CC(=O)[O-])c1ccc(F)cc1	ZINC001602673513	971240457	/nfs/dbraw/zinc/24/04/57/971240457.db2.gz	VVECCIGEPTWSRU-LBPRGKRZSA-N	-1	0	299.323	0.589	20	30		CCEDRM
C#CCCCn1nnnc1N(C)C[C@@H](C)C(=O)[O-]	ZINC001602675748	971252727	/nfs/dbraw/zinc/25/27/27/971252727.db2.gz	NWBWRQYKTQOXDC-SECBINFHSA-N	-1	0	251.290	0.243	20	30		CCEDRM
C#CCN(CC(=O)[O-])C(=O)[C@@H]1CC(=O)N[C@@H]2CCCC[C@H]21	ZINC001602682189	971265497	/nfs/dbraw/zinc/26/54/97/971265497.db2.gz	HYCVNLWOEUYCNW-QJPTWQEYSA-N	-1	0	292.335	0.228	20	30		CCEDRM
C#CCN(CC(=O)[O-])C(=O)NCC1(C#N)CCOCC1	ZINC001602683801	971275309	/nfs/dbraw/zinc/27/53/09/971275309.db2.gz	KDCMBYPVZLSSST-UHFFFAOYSA-N	-1	0	279.296	0.036	20	30		CCEDRM
C#CCN(CC(=O)[O-])C(=O)c1cnc(C)nc1C1CC1	ZINC001602692424	971303132	/nfs/dbraw/zinc/30/31/32/971303132.db2.gz	OVBYIMRXGMDURT-UHFFFAOYSA-N	-1	0	273.292	0.822	20	30		CCEDRM
C#CCN(CC(=O)[O-])C(=O)c1nc(C)n(-c2ccccc2)n1	ZINC001602692650	971303956	/nfs/dbraw/zinc/30/39/56/971303956.db2.gz	VMDJKOXDPGGUCW-UHFFFAOYSA-N	-1	0	298.302	0.736	20	30		CCEDRM
C=C(C)CNC(=O)c1[nH]c(=O)c(-c2nnn[n-]2)cc1C	ZINC001573294123	946977559	/nfs/dbraw/zinc/97/75/59/946977559.db2.gz	UWNFZMZZVXOQJV-UHFFFAOYSA-N	-1	0	274.284	0.582	20	30		CCEDRM
C#CCN(CC(=O)[O-])[C@@H](C)c1nc(C(=O)OC)co1	ZINC001602695533	971309289	/nfs/dbraw/zinc/30/92/89/971309289.db2.gz	IQSOEBBEFIEFGC-QMMMGPOBSA-N	-1	0	266.253	0.542	20	30		CCEDRM
C#CCN(CC(=O)[O-])[C@@H](C(=O)OC)C1(OC)CCC1	ZINC001602695724	971311207	/nfs/dbraw/zinc/31/12/07/971311207.db2.gz	QXJKUAJIGGMNJC-NSHDSACASA-N	-1	0	269.297	0.117	20	30		CCEDRM
C#CCN(CC(=O)[O-])Cc1ccoc1C(=O)OC	ZINC001602699546	971317831	/nfs/dbraw/zinc/31/78/31/971317831.db2.gz	WTHSLVCRNRVQPV-UHFFFAOYSA-N	-1	0	251.238	0.586	20	30		CCEDRM
C#CCN(CC(=O)[O-])c1nnc([C@H]2CC[C@@H](C)O2)n1C	ZINC001602700696	971320210	/nfs/dbraw/zinc/32/02/10/971320210.db2.gz	FJSMYRCVGGYHMB-NXEZZACHSA-N	-1	0	278.312	0.579	20	30		CCEDRM
C=C(C)COC(=O)c1cccn(CC(=O)[O-])c1=O	ZINC001602709646	971346605	/nfs/dbraw/zinc/34/66/05/971346605.db2.gz	GJDRSHGWZVUHFL-UHFFFAOYSA-N	-1	0	251.238	0.666	20	30		CCEDRM
C=C(C)C[C@@H](NC(C)=O)C(=O)N[C@@H]1CCC[C@@H]1C(=O)[O-]	ZINC001602709809	971348233	/nfs/dbraw/zinc/34/82/33/971348233.db2.gz	KKXLRTRMLUMOOP-QJPTWQEYSA-N	-1	0	282.340	0.827	20	30		CCEDRM
C=C[C@](C)(O)C(=O)NC[C@@H]1CCC2(CC(C(=O)[O-])C2)O1	ZINC001602717332	971366351	/nfs/dbraw/zinc/36/63/51/971366351.db2.gz	IWXDPSCUUZJXTA-DZRVJSAWSA-N	-1	0	283.324	0.452	20	30		CCEDRM
C=CCC[C@H](CO)NC(=O)[C@H]1CO[C@@H](CCC(=O)[O-])C1	ZINC001602719263	971383604	/nfs/dbraw/zinc/38/36/04/971383604.db2.gz	ZNQDDRJRKLRUOQ-UTUOFQBUSA-N	-1	0	285.340	0.700	20	30		CCEDRM
C=CCN1CC[C@@H](N([C@@H](C)C(=O)[O-])C2CC2)C1=O	ZINC001602722676	971388120	/nfs/dbraw/zinc/38/81/20/971388120.db2.gz	GCMSOZNYWJLXKL-GXSJLCMTSA-N	-1	0	252.314	0.711	20	30		CCEDRM
C=CCN1CC[C@H](N(C)C(=O)C2(C(=O)[O-])CC2)C1=O	ZINC001602722698	971388215	/nfs/dbraw/zinc/38/82/15/971388215.db2.gz	IAMDWHRJSWRORH-VIFPVBQESA-N	-1	0	266.297	0.097	20	30		CCEDRM
C=CCNC(=O)CNC(=O)c1cc(C)cc(C(=O)[O-])c1	ZINC001602722946	971391084	/nfs/dbraw/zinc/39/10/84/971391084.db2.gz	CDXYKWRMFSZKKA-UHFFFAOYSA-N	-1	0	276.292	0.725	20	30		CCEDRM
C=CCn1c([C@@H](O)C=C)nnc1N1CCC(C(=O)[O-])CC1	ZINC001602730160	971407280	/nfs/dbraw/zinc/40/72/80/971407280.db2.gz	VWAPUFQXDRCAHL-NSHDSACASA-N	-1	0	292.339	0.985	20	30		CCEDRM
C=CCn1c([C@H](C)CO)nnc1N1CCC[C@@H](C(=O)[O-])C1	ZINC001602730245	971407905	/nfs/dbraw/zinc/40/79/05/971407905.db2.gz	YIOZFJIXWCUUQS-GHMZBOCLSA-N	-1	0	294.355	0.861	20	30		CCEDRM
C=CCn1nnn(CN2CC[C@@H](C(=O)[O-])[C@H](C)C2)c1=S	ZINC001602730925	971410146	/nfs/dbraw/zinc/41/01/46/971410146.db2.gz	KUOVBMQUVNZPEL-NXEZZACHSA-N	-1	0	297.384	0.995	20	30		CCEDRM
CC(=NOC/C=C/Cl)c1cn(CC(=O)[O-])nn1	ZINC001602737133	971428805	/nfs/dbraw/zinc/42/88/05/971428805.db2.gz	JBXSYPAJYSMHMS-ZVMGRCLESA-N	-1	0	258.665	0.856	20	30		CCEDRM
N#Cc1ccccc1OCC(=O)N1CC(C(=O)[O-])C1	ZINC000071172913	948988302	/nfs/dbraw/zinc/98/83/02/948988302.db2.gz	BQUIHTYVBRHEEZ-UHFFFAOYSA-N	-1	0	260.249	0.480	20	30		CCEDRM
C[C@H](C(=O)N1CCC[C@@H](C(=O)[O-])C1)n1cnc(C#N)n1	ZINC001602789547	971546249	/nfs/dbraw/zinc/54/62/49/971546249.db2.gz	OLSWTAQRGGUGCK-RKDXNWHRSA-N	-1	0	277.284	0.034	20	30		CCEDRM
C#CCN(CC(=O)[O-])C(=O)CC[C@H]1CCCCO1	ZINC000092477984	949147494	/nfs/dbraw/zinc/14/74/94/949147494.db2.gz	YYGGDXHRFQLBSL-LLVKDONJSA-N	-1	0	253.298	0.882	20	30		CCEDRM
C#CCN(CC(=O)[O-])C(=O)CNC(=O)c1cccs1	ZINC000092479176	949152874	/nfs/dbraw/zinc/15/28/74/949152874.db2.gz	WMHOFRTUYSUCFO-UHFFFAOYSA-N	-1	0	280.305	0.024	20	30		CCEDRM
C#CCN(CC(=O)[O-])CC(=O)Nc1c(F)cccc1F	ZINC000092482447	949153973	/nfs/dbraw/zinc/15/39/73/949153973.db2.gz	OPZNLHUTSZPGPX-UHFFFAOYSA-N	-1	0	282.246	0.923	20	30		CCEDRM
C#CCN(CC(=O)[O-])CC(=O)NCc1ccc(Cl)cc1	ZINC000092482727	949154738	/nfs/dbraw/zinc/15/47/38/949154738.db2.gz	AFJAEKRNVHLYKQ-UHFFFAOYSA-N	-1	0	294.738	0.976	20	30		CCEDRM
C#CCN(CC(=O)[O-])C(=O)NCC[C@H]1CCCO1	ZINC000092491199	949158932	/nfs/dbraw/zinc/15/89/32/949158932.db2.gz	UKWQKXGBGGTZRV-SNVBAGLBSA-N	-1	0	254.286	0.285	20	30		CCEDRM
N#CCN(CC#N)C(=O)Cc1ccccc1C(=O)[O-]	ZINC000228043175	949617084	/nfs/dbraw/zinc/61/70/84/949617084.db2.gz	JGCPJKXVUMIVHA-UHFFFAOYSA-N	-1	0	257.249	0.803	20	30		CCEDRM
CCN([C@H](C)C(=O)[O-])S(=O)(=O)N(C)C[C@@H](C)C#N	ZINC001589713101	950337779	/nfs/dbraw/zinc/33/77/79/950337779.db2.gz	CKURZGOHYRLHAN-DTWKUNHWSA-N	-1	0	277.346	0.118	20	30		CCEDRM
CCN(CCC#N)C(=O)CN([C@H](C)C(=O)[O-])C1CC1	ZINC001589730100	950489862	/nfs/dbraw/zinc/48/98/62/950489862.db2.gz	NEDVSHOGAVYVDX-SNVBAGLBSA-N	-1	0	267.329	0.686	20	30		CCEDRM
C#C[C@@H](NS(=O)(=O)N1CCC(C(=O)[O-])CC1)C(C)C	ZINC000302358768	950563475	/nfs/dbraw/zinc/56/34/75/950563475.db2.gz	NNKLCVFEZFOXID-LLVKDONJSA-N	-1	0	288.369	0.275	20	30		CCEDRM
CC1(C)[C@@H]2CN(c3cnc(C#N)c(-c4nnn[n-]4)n3)C[C@@H]21	ZINC001575622583	950640742	/nfs/dbraw/zinc/64/07/42/950640742.db2.gz	DBBPCGGPVJTVQC-OCAPTIKFSA-N	-1	0	282.311	0.621	20	30		CCEDRM
CCOC(=O)N1CC[C@H](NC(=O)[C@](C)(C#N)CC(=O)[O-])C1	ZINC001590873191	951005283	/nfs/dbraw/zinc/00/52/83/951005283.db2.gz	KIUNVEXIGDEBCG-ZANVPECISA-N	-1	0	297.311	0.338	20	30		CCEDRM
CCOC(=O)c1ccc(C=NNCCC(=O)[O-])[nH]1	ZINC001591171682	951081760	/nfs/dbraw/zinc/08/17/60/951081760.db2.gz	UWOCABOKRXPKGJ-UHFFFAOYSA-N	-1	0	253.258	0.590	20	30		CCEDRM
C#CCN(CC(=O)[O-])C(=O)NC[C@H](OC)C(C)C	ZINC000381992367	951217294	/nfs/dbraw/zinc/21/72/94/951217294.db2.gz	GYXIUMOVPZJRDB-JTQLQIEISA-N	-1	0	256.302	0.387	20	30		CCEDRM
CC[C@H](NC(=O)N[C@@H](CC#N)C(F)(F)F)C(=O)[O-]	ZINC001603943524	974425704	/nfs/dbraw/zinc/42/57/04/974425704.db2.gz	AZHBPLAUUQNORG-WDSKDSINSA-N	-1	0	267.207	0.993	20	30		CCEDRM
C#CCN1CCN(c2nc(C)cc(C(=O)[O-])n2)CC1	ZINC000383791895	971894785	/nfs/dbraw/zinc/89/47/85/971894785.db2.gz	ZZVPDMGAHSQEQH-UHFFFAOYSA-N	-1	0	260.297	0.238	20	30		CCEDRM
CC[C@@H](NC(=O)Nc1cnc(OC)c(C#N)c1)C(=O)[O-]	ZINC001593604527	953422752	/nfs/dbraw/zinc/42/27/52/953422752.db2.gz	KJHJQNJMQSWYHX-SECBINFHSA-N	-1	0	278.268	0.947	20	30		CCEDRM
CCn1ccc(COC(=O)[C@](C)(C#N)CC(=O)[O-])n1	ZINC001593666208	953850735	/nfs/dbraw/zinc/85/07/35/953850735.db2.gz	HVWDRPQHHHHSNK-LBPRGKRZSA-N	-1	0	265.269	0.951	20	30		CCEDRM
C[C@@H]1CCN(C(=O)[C@@](C)(C#N)CC(=O)[O-])CC[S@@]1=O	ZINC001589335961	953993212	/nfs/dbraw/zinc/99/32/12/953993212.db2.gz	IJKFAOHTRCFKCC-VVSLUIPWSA-N	-1	0	286.353	0.360	20	30		CCEDRM
CC[C@@H](C(=O)[O-])N(C)C(=O)c1cccc(C#CCO)c1	ZINC001589437108	954688656	/nfs/dbraw/zinc/68/86/56/954688656.db2.gz	ADAONNKSOABTKA-ZDUSSCGKSA-N	-1	0	275.304	0.966	20	30		CCEDRM
CNC(=S)N(C)N=Cc1cccn1CC(=O)[O-]	ZINC001593797594	954821082	/nfs/dbraw/zinc/82/10/82/954821082.db2.gz	RHLQWCBMHCFDMX-UHFFFAOYSA-N	-1	0	254.315	0.343	20	30		CCEDRM
Cc1oc(C#N)cc1C(=O)N1CCOC[C@H]1C(=O)[O-]	ZINC001594507167	955367737	/nfs/dbraw/zinc/36/77/37/955367737.db2.gz	ZRNRLHOPEYHHMU-JTQLQIEISA-N	-1	0	264.237	0.385	20	30		CCEDRM
Cn1c(Cl)cnc1C(C#N)C(=O)COCC(=O)[O-]	ZINC001594519786	955449660	/nfs/dbraw/zinc/44/96/60/955449660.db2.gz	DPPARWPGWNWBEL-LURJTMIESA-N	-1	0	271.660	0.351	20	30		CCEDRM
Cn1cc([C@@H]2C[C@H](C(=O)[O-])CN(CCC#N)C2)cn1	ZINC001594538140	955598648	/nfs/dbraw/zinc/59/86/48/955598648.db2.gz	QPRVNHIKOLIQMC-MNOVXSKESA-N	-1	0	262.313	0.824	20	30		CCEDRM
C[C@@H](CNS(=O)(=O)c1ccccc1CC#N)C(=O)[O-]	ZINC001589072055	955779507	/nfs/dbraw/zinc/77/95/07/955779507.db2.gz	FWQAXFAINHMEQN-VIFPVBQESA-N	-1	0	282.321	0.752	20	30		CCEDRM
Cn1nccc1[C@@H](NC(=O)Cc1ccc(C#N)cc1)C(=O)[O-]	ZINC001594588033	956016904	/nfs/dbraw/zinc/01/69/04/956016904.db2.gz	AYHUETLISJHFKN-CQSZACIVSA-N	-1	0	298.302	0.776	20	30		CCEDRM
N#CC1(CNC(=O)N2CCO[C@@H](C(=O)[O-])C2)CCCC1	ZINC001594603612	956157981	/nfs/dbraw/zinc/15/79/81/956157981.db2.gz	GWFWCGVCIPFZKE-SNVBAGLBSA-N	-1	0	281.312	0.565	20	30		CCEDRM
N#CC1(CNC(=O)[C@@H]2CO[C@H](CCC(=O)[O-])C2)CC1	ZINC001594604039	956159291	/nfs/dbraw/zinc/15/92/91/956159291.db2.gz	NPCFUUMPQXTPGN-VHSXEESVSA-N	-1	0	266.297	0.676	20	30		CCEDRM
N#CCC1(CNC(=O)[C@H]2CCCN(CC(=O)[O-])C2=O)CC1	ZINC001594606502	956183672	/nfs/dbraw/zinc/18/36/72/956183672.db2.gz	VJZDEHYFDNIYQT-SNVBAGLBSA-N	-1	0	293.323	0.120	20	30		CCEDRM
N#CCCCCNC(=O)C1(C(=O)[O-])CCOCC1	ZINC001594609186	956191270	/nfs/dbraw/zinc/19/12/70/956191270.db2.gz	UNSKRRDNKMOTFA-UHFFFAOYSA-N	-1	0	254.286	0.678	20	30		CCEDRM
N#CCN1CCC[C@@H](CNC(=O)C2(C(=O)[O-])CC=CC2)C1	ZINC001594609843	956195647	/nfs/dbraw/zinc/19/56/47/956195647.db2.gz	LYTFXXMXOHQISO-LBPRGKRZSA-N	-1	0	291.351	0.759	20	30		CCEDRM
N#Cc1cc([N+](=O)[O-])c(N2CCO[C@@H](C(=O)[O-])C2)cc1F	ZINC001594617382	956247394	/nfs/dbraw/zinc/24/73/94/956247394.db2.gz	JHVGOACFUSMGPM-LLVKDONJSA-N	-1	0	295.226	0.895	20	30		CCEDRM
N#Cc1ccc(F)c(CNC(=O)[C@@]2(C(=O)[O-])CCCO2)c1	ZINC001594619825	956272613	/nfs/dbraw/zinc/27/26/13/956272613.db2.gz	QYRISARTBKYWKX-CQSZACIVSA-N	-1	0	292.266	0.947	20	30		CCEDRM
C[C@@](O)(CNC(=O)c1sccc1C#N)C(=O)[O-]	ZINC001589147220	956304593	/nfs/dbraw/zinc/30/45/93/956304593.db2.gz	RCMODNYYCJLQDE-SNVBAGLBSA-N	-1	0	254.267	0.185	20	30		CCEDRM
N#Cc1ccc2c(c1)CCN2C(=O)c1cn(CC(=O)[O-])nn1	ZINC001594626777	956319542	/nfs/dbraw/zinc/31/95/42/956319542.db2.gz	HXOIYUPRLDCELI-UHFFFAOYSA-N	-1	0	297.274	0.437	20	30		CCEDRM
N#Cc1ccc2c(c1)CCCN2[C@H]1CCN(CC(=O)[O-])C1=O	ZINC001594626738	956319624	/nfs/dbraw/zinc/31/96/24/956319624.db2.gz	GOWCOPVRHWDEAC-AWEZNQCLSA-N	-1	0	299.330	0.996	20	30		CCEDRM
N#Cc1ccc2c(c1)C[C@@H](NC(=O)c1cc(C(=O)[O-])n[nH]1)C2	ZINC001594627167	956322263	/nfs/dbraw/zinc/32/22/63/956322263.db2.gz	MWUWYVSJBIQZBA-NSHDSACASA-N	-1	0	296.286	0.877	20	30		CCEDRM
N#Cc1cn(CC(=O)[O-])c(=O)n(CCC2CCCC2)c1=O	ZINC001594633133	956356791	/nfs/dbraw/zinc/35/67/91/956356791.db2.gz	OYKJMWCXJHYKTH-UHFFFAOYSA-N	-1	0	291.307	0.547	20	30		CCEDRM
N#Cc1csc(C(=O)NCCOCC(=O)[O-])c1	ZINC001594634892	956365138	/nfs/dbraw/zinc/36/51/38/956365138.db2.gz	RIIMHHYFDFYFLD-UHFFFAOYSA-N	-1	0	254.267	0.451	20	30		CCEDRM
C[C@@H](OC(=O)CCC(=O)[O-])C(=O)NC1(C#N)CCC1	ZINC001589155578	956370343	/nfs/dbraw/zinc/37/03/43/956370343.db2.gz	IMDWNIONRYVCNL-MRVPVSSYSA-N	-1	0	268.269	0.345	20	30		CCEDRM
COC[C@]1(C(=O)[O-])CCN(C(=O)C#CC(C)C)C1	ZINC001593959185	956469116	/nfs/dbraw/zinc/46/91/16/956469116.db2.gz	SWBBHUABPDAFOK-ZDUSSCGKSA-N	-1	0	253.298	0.596	20	30		CCEDRM
C[C@]1(C#N)CCN(CN2C[C@@H](C(=O)[O-])CC2=O)C1	ZINC001589182273	956535412	/nfs/dbraw/zinc/53/54/12/956535412.db2.gz	XFRDVLVKLJLGNN-JOYOIKCWSA-N	-1	0	251.286	0.113	20	30		CCEDRM
COC[C@]1(C(=O)[O-])CCN(Cn2cccc(C#N)c2=O)C1	ZINC001593968314	956587310	/nfs/dbraw/zinc/58/73/10/956587310.db2.gz	TZFOJYJXGOHQEC-AWEZNQCLSA-N	-1	0	291.307	0.101	20	30		CCEDRM
COCC[C@H](C)CNC(=O)[C@](C)(C#N)CC(=O)[O-]	ZINC001593989610	956822058	/nfs/dbraw/zinc/82/20/58/956822058.db2.gz	ATJKRAPUBGRRBJ-CABZTGNLSA-N	-1	0	256.302	0.780	20	30		CCEDRM
C#CCCNS(=O)(=O)c1ccc(OC)cc1CC(=O)[O-]	ZINC000070246335	957667832	/nfs/dbraw/zinc/66/78/32/957667832.db2.gz	CIFSWLXCDAPLCC-UHFFFAOYSA-N	-1	0	297.332	0.624	20	30		CCEDRM
C#C[C@H](NC(=O)N1CCO[C@@H](C(=O)[O-])C1)c1ccccc1	ZINC001588385271	957969324	/nfs/dbraw/zinc/96/93/24/957969324.db2.gz	BYAJTLWOPQXJTQ-QWHCGFSZSA-N	-1	0	288.303	0.856	20	30		CCEDRM
C#C[C@H]1CCCN(C(=O)C(=O)N(C)C[C@@H](C)C(=O)[O-])C1	ZINC001588385545	957971440	/nfs/dbraw/zinc/97/14/40/957971440.db2.gz	GPMREMHXBIETJE-MNOVXSKESA-N	-1	0	280.324	0.037	20	30		CCEDRM
C#CC1(O)CCN(C(=O)[C@H]2CO[C@@H](CCC(=O)[O-])C2)CC1	ZINC001588385997	957975001	/nfs/dbraw/zinc/97/50/01/957975001.db2.gz	MTGUQXQSEHMYNV-NEPJUHHUSA-N	-1	0	295.335	0.243	20	30		CCEDRM
C#C[C@H](CC)NC(=O)C(=O)Nc1ccc(C(=O)[O-])cc1F	ZINC001588386508	957979920	/nfs/dbraw/zinc/97/99/20/957979920.db2.gz	BIKIFSQCCKEELK-SECBINFHSA-N	-1	0	292.266	0.990	20	30		CCEDRM
C#C[C@@H](NC(=O)[C@H](OC)C(=O)[O-])c1ccc(F)cc1	ZINC001588387403	957987880	/nfs/dbraw/zinc/98/78/80/957987880.db2.gz	IZVBXGHXZZDRDX-MNOVXSKESA-N	-1	0	265.240	0.716	20	30		CCEDRM
C#CC[C@@H]1CCCN(C(=O)C(=O)N[C@H]2C[C@@H](C(=O)[O-])C2)C1	ZINC001588391273	958021946	/nfs/dbraw/zinc/02/19/46/958021946.db2.gz	DRRFDAIODMGLPD-UTUOFQBUSA-N	-1	0	292.335	0.228	20	30		CCEDRM
C#CCN(CC#N)C(=O)/C=C\c1ccc(C(=O)[O-])o1	ZINC001588396219	958047890	/nfs/dbraw/zinc/04/78/90/958047890.db2.gz	WUZPDBBASDHTKC-XQRVVYSFSA-N	-1	0	258.233	0.976	20	30		CCEDRM
C#CCCn1nnnc1N1C[C@H](C)C[C@@H](C(=O)[O-])C1	ZINC001588396628	958051334	/nfs/dbraw/zinc/05/13/34/958051334.db2.gz	WRCGOJTZKYRFKP-NXEZZACHSA-N	-1	0	263.301	0.243	20	30		CCEDRM
C#CCN(CC(=O)[O-])C(=O)CCOC1CCOCC1	ZINC001588402279	958089632	/nfs/dbraw/zinc/08/96/32/958089632.db2.gz	PNYCAGDLZFNAQP-UHFFFAOYSA-N	-1	0	269.297	0.119	20	30		CCEDRM
C#CCN(CC(=O)[O-])C(=O)CCOC[C@H]1CCCO1	ZINC001588402501	958092708	/nfs/dbraw/zinc/09/27/08/958092708.db2.gz	VYJMYEVZLWCGIE-LLVKDONJSA-N	-1	0	269.297	0.119	20	30		CCEDRM
C#CCN(CC(=O)[O-])C(=O)N[C@H](C)C1(OC)CCC1	ZINC001588407419	958098988	/nfs/dbraw/zinc/09/89/88/958098988.db2.gz	LZFNHQQRRKOBOO-SNVBAGLBSA-N	-1	0	268.313	0.673	20	30		CCEDRM
C#CCN(CC(=O)[O-])C(=O)NCCC1(COC)CC1	ZINC001588408446	958109721	/nfs/dbraw/zinc/10/97/21/958109721.db2.gz	NMNVEMUMKJJTNF-UHFFFAOYSA-N	-1	0	268.313	0.533	20	30		CCEDRM
C#CCN(CC(=O)[O-])C(=O)c1cc(Cn2cccn2)on1	ZINC001588416937	958167321	/nfs/dbraw/zinc/16/73/21/958167321.db2.gz	XIILGNMCNUJJKZ-UHFFFAOYSA-N	-1	0	288.263	0.079	20	30		CCEDRM
C#CCN(CC(=O)[O-])C(=O)[C@@H](NCC(F)(F)F)C(C)C	ZINC001588417518	958174879	/nfs/dbraw/zinc/17/48/79/958174879.db2.gz	SSVPZNTWCQKCMN-JTQLQIEISA-N	-1	0	294.273	0.709	20	30		CCEDRM
Cc1cc(OC(=O)c2cn(CC(=O)[O-])nn2)ccc1C#N	ZINC001594326537	958178041	/nfs/dbraw/zinc/17/80/41/958178041.db2.gz	FSLWHAMGUWVXLP-UHFFFAOYSA-N	-1	0	286.247	0.762	20	30		CCEDRM
C#CCN(CC(=O)[O-])C(=O)c1cn(C(C)C)nn1	ZINC001588418405	958179362	/nfs/dbraw/zinc/17/93/62/958179362.db2.gz	DZEMKEGBIXVOLG-UHFFFAOYSA-N	-1	0	250.258	0.019	20	30		CCEDRM
C#CCN(CC(=O)[O-])[C@@H](C(=O)OC)c1cccnc1	ZINC001588419881	958196120	/nfs/dbraw/zinc/19/61/20/958196120.db2.gz	FZHABUDSQISCER-GFCCVEGCSA-N	-1	0	262.265	0.316	20	30		CCEDRM
C#CCN(CC(=O)[O-])CC(=O)Nc1nc(CC)c(C)s1	ZINC001588420056	958198577	/nfs/dbraw/zinc/19/85/77/958198577.db2.gz	KKYUIPRONLAHQO-UHFFFAOYSA-N	-1	0	295.364	0.972	20	30		CCEDRM
C#CCN(CC(=O)[O-])Cc1ccc(N(C)CCOC)nc1	ZINC001588424728	958219862	/nfs/dbraw/zinc/21/98/62/958219862.db2.gz	WZXMTBFBVMOCPL-UHFFFAOYSA-N	-1	0	291.351	0.684	20	30		CCEDRM
C#CCN(CC(=O)[O-])S(=O)(=O)c1ccc(N(C)C)cc1	ZINC001588426603	958230276	/nfs/dbraw/zinc/23/02/76/958230276.db2.gz	QNCXJWOGIHVVLB-UHFFFAOYSA-N	-1	0	296.348	0.461	20	30		CCEDRM
C#CCN(CC(=O)[O-])c1nnc(-c2cnoc2C)n1CC	ZINC001588426695	958232656	/nfs/dbraw/zinc/23/26/56/958232656.db2.gz	YLVRMTXLRCCMJF-UHFFFAOYSA-N	-1	0	289.295	0.786	20	30		CCEDRM
C[C@H](NC(=O)[C@](C)(C#N)CC(=O)[O-])c1nnnn1C1CC1	ZINC001603216254	972330261	/nfs/dbraw/zinc/33/02/61/972330261.db2.gz	PEZPENGRJODETQ-MADCSZMMSA-N	-1	0	292.299	0.190	20	30		CCEDRM
C#CCN(CC(=O)[O-])c1nnnn1C[C@@H]1CC(C)(C)CO1	ZINC001588426849	958235940	/nfs/dbraw/zinc/23/59/40/958235940.db2.gz	DQLGKYJLLXSLLR-JTQLQIEISA-N	-1	0	293.327	0.012	20	30		CCEDRM
C#CCN(CC(=O)[O-])c1nnc([C@H](C)O)n1CC(=C)C	ZINC001588427102	958239505	/nfs/dbraw/zinc/23/95/05/958239505.db2.gz	MFKXQXHINPNWFP-JTQLQIEISA-N	-1	0	278.312	0.432	20	30		CCEDRM
C#CCOCCOC(=O)[C@@]1(C(=O)[O-])CC=CCC1	ZINC001588430876	958261622	/nfs/dbraw/zinc/26/16/22/958261622.db2.gz	HOBOVEJRYCZDBJ-ZDUSSCGKSA-N	-1	0	252.266	0.991	20	30		CCEDRM
C#CCOCCNC(=O)c1coc(/C=C/C(=O)[O-])c1	ZINC001588431285	958265878	/nfs/dbraw/zinc/26/58/78/958265878.db2.gz	MSRFQFNXFLHXKD-ONEGZZNKSA-N	-1	0	263.249	0.757	20	30		CCEDRM
C#CCn1ccc(CN(CCOC)C(=O)CCC(=O)[O-])n1	ZINC001588433258	958294498	/nfs/dbraw/zinc/29/44/98/958294498.db2.gz	OHKIEWSXKQDQJA-UHFFFAOYSA-N	-1	0	293.323	0.356	20	30		CCEDRM
Cc1ccc(C#N)cc1C(=O)N1CCOC[C@H]1C(=O)[O-]	ZINC001594342746	958308323	/nfs/dbraw/zinc/30/83/23/958308323.db2.gz	SYWDAMMSVIUQPB-LBPRGKRZSA-N	-1	0	274.276	0.792	20	30		CCEDRM
C=C(C)COCCNC(=O)[C@@H]1CO[C@H](CCC(=O)[O-])C1	ZINC001588439813	958324205	/nfs/dbraw/zinc/32/42/05/958324205.db2.gz	HJNQOHBRGQOOMJ-NWDGAFQWSA-N	-1	0	285.340	0.965	20	30		CCEDRM
C=C(C)C[C@H](CO)NC(=O)c1cc(C(=O)[O-])n[nH]1	ZINC001588441816	958339958	/nfs/dbraw/zinc/33/99/58/958339958.db2.gz	LTNOKAOKGFBOHS-SSDOTTSWSA-N	-1	0	253.258	0.165	20	30		CCEDRM
C=C(C)CN(C)C(=O)C(=O)Nc1cccnc1C(=O)[O-]	ZINC001588442083	958341443	/nfs/dbraw/zinc/34/14/43/958341443.db2.gz	OVAZXOCTUDHDMB-UHFFFAOYSA-N	-1	0	277.280	0.753	20	30		CCEDRM
C=C(Cl)CNC(=O)[C@H]1CCCN(CC(=O)[O-])C1=O	ZINC001588445579	958373380	/nfs/dbraw/zinc/37/33/80/958373380.db2.gz	LPKVENVYBSQLFF-MRVPVSSYSA-N	-1	0	274.704	0.178	20	30		CCEDRM
C=C[C@H](C)ONC(=O)N1C[C@@H]2COC[C@]2(C(=O)[O-])C1	ZINC001588451371	958410373	/nfs/dbraw/zinc/41/03/73/958410373.db2.gz	UJOCZVZTSDBZRA-YGOYTEALSA-N	-1	0	270.285	0.235	20	30		CCEDRM
C=CCC(F)(F)C(=O)N1C[C@@H]2COC[C@]2(C(=O)[O-])C1	ZINC001588452558	958423346	/nfs/dbraw/zinc/42/33/46/958423346.db2.gz	FNBHGZULVCBSCY-LDYMZIIASA-N	-1	0	275.251	0.757	20	30		CCEDRM
C=CC[C@H]1NC(=O)N(CC2(C(=O)[O-])CCC2)C1=O	ZINC001588456998	958441063	/nfs/dbraw/zinc/44/10/63/958441063.db2.gz	FOBLYMWYNNUQGW-MRVPVSSYSA-N	-1	0	252.270	0.738	20	30		CCEDRM
C=CCC1(NC(=O)c2cn(CC(=O)[O-])nn2)CCOCC1	ZINC001588457451	958450589	/nfs/dbraw/zinc/45/05/89/958450589.db2.gz	AXDBHSSPDWWJCE-UHFFFAOYSA-N	-1	0	294.311	0.218	20	30		CCEDRM
C=CCC[C@@H](CO)NC(=O)c1cc(C(=O)[O-])nn1C	ZINC001588457424	958451085	/nfs/dbraw/zinc/45/10/85/958451085.db2.gz	ZRHGIBWOSMZBMI-QMMMGPOBSA-N	-1	0	267.285	0.175	20	30		CCEDRM
COc1ccc(N=NC(C)c2cn(CC(=O)[O-])nn2)nc1	ZINC001594104989	958459340	/nfs/dbraw/zinc/45/93/40/958459340.db2.gz	BKPNAULBCQHJCN-UHFFFAOYSA-N	-1	0	290.283	0.602	20	30		CCEDRM
C=CCCn1cc(CN(CCC(=O)OC)CC(=O)[O-])nn1	ZINC001588460519	958476611	/nfs/dbraw/zinc/47/66/11/958476611.db2.gz	MTCXXUKSKQGAGO-UHFFFAOYSA-N	-1	0	296.327	0.304	20	30		CCEDRM
C=CCN(CCOC)C(=O)C1(CC(=O)[O-])CCOCC1	ZINC001588463536	958486153	/nfs/dbraw/zinc/48/61/53/958486153.db2.gz	XZSMKBHVGWOOBY-UHFFFAOYSA-N	-1	0	285.340	0.919	20	30		CCEDRM
C=CCN1CC[C@H](N(C)C(=O)[C@@H]2CC[C@@H]2C(=O)[O-])C1=O	ZINC001588464342	958491297	/nfs/dbraw/zinc/49/12/97/958491297.db2.gz	NFVWCQLDEWVEMW-VWYCJHECSA-N	-1	0	280.324	0.343	20	30		CCEDRM
C=CCOC[C@@H](NC(=O)[C@]1(C(=O)[O-])CC1(C)C)C(=O)OC	ZINC001588465048	958494867	/nfs/dbraw/zinc/49/48/67/958494867.db2.gz	FBTCPGGSGQAJLN-OTYXRUKQSA-N	-1	0	299.323	0.348	20	30		CCEDRM
C=CCOCC(=O)NC[C@@H]1CCC2(CC(C(=O)[O-])C2)O1	ZINC001588465021	958495075	/nfs/dbraw/zinc/49/50/75/958495075.db2.gz	CTALDOQNCMRCEP-CVZZAPKMSA-N	-1	0	283.324	0.718	20	30		CCEDRM
C=CCNC(=O)COC(=O)c1coc(/C=C/C(=O)[O-])c1	ZINC001588465597	958506886	/nfs/dbraw/zinc/50/68/86/958506886.db2.gz	VJUFAWKFQKBBAO-ONEGZZNKSA-N	-1	0	279.248	0.836	20	30		CCEDRM
C=CCOCCn1nnnc1N1CCC[C@@H](CC(=O)[O-])C1	ZINC001588466367	958510068	/nfs/dbraw/zinc/51/00/68/958510068.db2.gz	LVZYCGPTZUTEOQ-NSHDSACASA-N	-1	0	295.343	0.567	20	30		CCEDRM
C=CCn1c(COC)nnc1N1CCC(C(=O)[O-])CC1	ZINC001588472020	958539218	/nfs/dbraw/zinc/53/92/18/958539218.db2.gz	ICHAODFIGCKSCE-UHFFFAOYSA-N	-1	0	280.328	0.912	20	30		CCEDRM
CC#CCCCC(=O)NC1(C(=O)[O-])CCOCC1	ZINC001588478942	958575657	/nfs/dbraw/zinc/57/56/57/958575657.db2.gz	QIQSLWGFNPELDC-UHFFFAOYSA-N	-1	0	253.298	0.930	20	30		CCEDRM
C[C@](C#N)(CC(=O)[O-])C(=O)NCc1nccnc1Cl	ZINC001573362365	958598037	/nfs/dbraw/zinc/59/80/37/958598037.db2.gz	AIWOFQYPAZBEOE-LLVKDONJSA-N	-1	0	282.687	0.751	20	30		CCEDRM
C[C@@](C#N)(CC(=O)[O-])C(=O)Nc1ccc(CO)c(CO)c1	ZINC001573362450	958598530	/nfs/dbraw/zinc/59/85/30/958598530.db2.gz	BLJRKLKPTVTJMW-AWEZNQCLSA-N	-1	0	292.291	0.614	20	30		CCEDRM
C[C@](C#N)(CC(=O)[O-])C(=O)NCCCCCCO	ZINC001573364508	958615703	/nfs/dbraw/zinc/61/57/03/958615703.db2.gz	OTVBMBIGBPIOJT-GFCCVEGCSA-N	-1	0	256.302	0.660	20	30		CCEDRM
C[C@H](CC#N)N(C)S(=O)(=O)c1scnc1C(=O)[O-]	ZINC000134708212	958857663	/nfs/dbraw/zinc/85/76/63/958857663.db2.gz	JRXFXZJIZKLXNT-ZCFIWIBFSA-N	-1	0	289.338	0.764	20	30		CCEDRM
Cc1sc(N2CCO[C@H](C#N)C2)nc1C(=O)[O-]	ZINC000137329249	958923433	/nfs/dbraw/zinc/92/34/33/958923433.db2.gz	XGYPHBBAOAZSEX-SSDOTTSWSA-N	-1	0	253.283	0.879	20	30		CCEDRM
C[C@](C#N)(CC(=O)[O-])C(=O)N1CCO[C@@H](C(=O)C2CC2)C1	ZINC001588538587	958942829	/nfs/dbraw/zinc/94/28/29/958942829.db2.gz	KTQHJZPFDPCUGW-QMTHXVAHSA-N	-1	0	294.307	0.197	20	30		CCEDRM
C[C@@](C#N)(CC(=O)[O-])C(=O)N1CCc2ncncc2C1	ZINC001588539098	958951359	/nfs/dbraw/zinc/95/13/59/958951359.db2.gz	XBGLMFSAVPZWAO-ZDUSSCGKSA-N	-1	0	274.280	0.366	20	30		CCEDRM
C[C@](C#N)(CC(=O)[O-])C(=O)NCc1nnc(C2CC2)o1	ZINC001588541474	958962383	/nfs/dbraw/zinc/96/23/83/958962383.db2.gz	CDFJWXJMIMDBDC-GFCCVEGCSA-N	-1	0	278.268	0.568	20	30		CCEDRM
C[C@@](C#N)(NC(=O)CN(CC(=O)[O-])CC1CC1)C1CC1	ZINC001588543416	958977514	/nfs/dbraw/zinc/97/75/14/958977514.db2.gz	LLDKDGOZAGLMCA-AWEZNQCLSA-N	-1	0	279.340	0.591	20	30		CCEDRM
C[C@](C#N)(CC(=O)[O-])C(=O)OCc1ccnc(N)c1	ZINC001588543251	958978524	/nfs/dbraw/zinc/97/85/24/958978524.db2.gz	JMZJGASFJSKKDF-GFCCVEGCSA-N	-1	0	263.253	0.712	20	30		CCEDRM
C#CC[C@@H](NC(=O)c1cnc2ccccc2n1)C(=O)[O-]	ZINC000149594114	959019713	/nfs/dbraw/zinc/01/97/13/959019713.db2.gz	YKDWJEZJBSHKJE-LLVKDONJSA-N	-1	0	269.260	0.836	20	30		CCEDRM
C#CC[C@H](NC(=O)[C@H]1CC(c2ccccc2)=NO1)C(=O)[O-]	ZINC000149802930	959027478	/nfs/dbraw/zinc/02/74/78/959027478.db2.gz	GNFNHBFHVNDOLL-WCQYABFASA-N	-1	0	286.287	0.772	20	30		CCEDRM
CC#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@H](C)C(=O)[O-]	ZINC001573497010	959033844	/nfs/dbraw/zinc/03/38/44/959033844.db2.gz	WGGJHZOPEPMFRZ-NXEZZACHSA-N	-1	0	298.339	0.882	20	30		CCEDRM
C[C@](C#N)(CC(=O)[O-])C(=O)NC[C@H]1CC[C@H](C(N)=O)CC1	ZINC001588558493	959087977	/nfs/dbraw/zinc/08/79/77/959087977.db2.gz	WZUKIGVAEVERHC-GPCCPHFNSA-N	-1	0	295.339	0.399	20	30		CCEDRM
C#CC[C@H](NS(=O)(=O)c1ccc([N+](=O)[O-])cc1)C(=O)[O-]	ZINC000159580569	959121885	/nfs/dbraw/zinc/12/18/85/959121885.db2.gz	MYZONMWKAKFIJI-JTQLQIEISA-N	-1	0	298.276	0.350	20	30		CCEDRM
C[C@@H](C(=O)[O-])C(=O)N1CC[C@@H](Oc2ccc(C#N)cn2)C1	ZINC001588564293	959122076	/nfs/dbraw/zinc/12/20/76/959122076.db2.gz	FXXGXFUSCKERRR-MWLCHTKSSA-N	-1	0	289.291	0.654	20	30		CCEDRM
CSC[C@](C)(C#N)NC(=O)[C@@H]1CC[C@H]1C(=O)[O-]	ZINC001594185829	959124021	/nfs/dbraw/zinc/12/40/21/959124021.db2.gz	RDDBPTZYFNGQCB-XLDPMVHQSA-N	-1	0	256.327	0.859	20	30		CCEDRM
CC(C)COC1CN(C(=O)[C@](C)(C#N)CC(=O)[O-])C1	ZINC001573522310	959124713	/nfs/dbraw/zinc/12/47/13/959124713.db2.gz	GYCMGCJLWAJMDM-ZDUSSCGKSA-N	-1	0	268.313	0.874	20	30		CCEDRM
C[C@H](C(=O)[O-])C(=O)NCc1ccc(OCC#N)cc1	ZINC001588573327	959199054	/nfs/dbraw/zinc/19/90/54/959199054.db2.gz	BOJYLPVMKPPGHJ-VIFPVBQESA-N	-1	0	262.265	0.926	20	30		CCEDRM
C[C@@H](NC(=O)c1cn(CC(=O)[O-])nn1)c1ccc(C#N)cc1	ZINC001573625725	959539060	/nfs/dbraw/zinc/53/90/60/959539060.db2.gz	UCVBNTBHSQHRKA-SECBINFHSA-N	-1	0	299.290	0.725	20	30		CCEDRM
C[S@](=O)[C@@H]1CC[C@H](NC(=O)[C@](C)(C#N)CC(=O)[O-])C1	ZINC001574250911	960516754	/nfs/dbraw/zinc/51/67/54/960516754.db2.gz	SMBNDDRIXTXBNQ-UYRFPYTDSA-N	-1	0	286.353	0.407	20	30		CCEDRM
N#Cc1cc(NC(=O)NC[C@H]2CCO[C@H]2C(=O)[O-])ccn1	ZINC001571039561	960561422	/nfs/dbraw/zinc/56/14/22/960561422.db2.gz	ZQIDCEDOWAMVRD-LDYMZIIASA-N	-1	0	290.279	0.564	20	30		CCEDRM
C[C@@H]1CN(C(=O)[C@](C)(C#N)CC(=O)[O-])C[C@@H](C)C1=O	ZINC001574274971	960627566	/nfs/dbraw/zinc/62/75/66/960627566.db2.gz	COPPAZORVKSYNC-KKFJDGPESA-N	-1	0	266.297	0.674	20	30		CCEDRM
N#Cc1cnc(C(=O)N[C@H]2CCO[C@H]2C(=O)[O-])c(Cl)c1	ZINC001571056287	960733122	/nfs/dbraw/zinc/73/31/22/960733122.db2.gz	UBTIFPXABMCLGI-WCBMZHEXSA-N	-1	0	295.682	0.579	20	30		CCEDRM
N#Cc1ccc(C(=O)N[C@@H](CC2OCCO2)C(=O)[O-])s1	ZINC001571058005	960753836	/nfs/dbraw/zinc/75/38/36/960753836.db2.gz	VGDHSMMAKODTFD-QMMMGPOBSA-N	-1	0	296.304	0.566	20	30		CCEDRM
C[C@H](C(=O)[O-])N(CC(F)F)S(=O)(=O)CC(C)(C)C#N	ZINC001571066506	960832319	/nfs/dbraw/zinc/83/23/19/960832319.db2.gz	JUHYJMRUNGDKGS-SSDOTTSWSA-N	-1	0	298.311	0.906	20	30		CCEDRM
CC(C)(CCC#N)CNC(=O)[C@H]1CC(C(=O)[O-])=NO1	ZINC001588758777	961238355	/nfs/dbraw/zinc/23/83/55/961238355.db2.gz	ZKOYRSJDNIBCBT-SECBINFHSA-N	-1	0	267.285	0.662	20	30		CCEDRM
Cc1[nH]nc(NC(=O)c2cc(C(=O)[O-])n[nH]2)c1C#N	ZINC001574416077	961314680	/nfs/dbraw/zinc/31/46/80/961314680.db2.gz	QFNMREYGOOSVOQ-UHFFFAOYSA-N	-1	0	260.213	0.263	20	30		CCEDRM
Cc1nn(C)c(NC(=O)c2cnc(C(=O)[O-])cn2)c1C#N	ZINC001574434345	961392429	/nfs/dbraw/zinc/39/24/29/961392429.db2.gz	JTUJCOHTGZKZMO-UHFFFAOYSA-N	-1	0	286.251	0.341	20	30		CCEDRM
CC(C)[C@H](C(=O)[O-])C(=O)NCc1ccnc(C#N)c1	ZINC001588807350	961479051	/nfs/dbraw/zinc/47/90/51/961479051.db2.gz	ACODAHOLRVEPSF-NSHDSACASA-N	-1	0	261.281	0.926	20	30		CCEDRM
CC(C)[C@H](CNC(=O)C(=O)N1CCC[C@@H](C#N)C1)C(=O)[O-]	ZINC001588815403	961568197	/nfs/dbraw/zinc/56/81/97/961568197.db2.gz	OYIVCCBZQANSCJ-QWRGUYRKSA-N	-1	0	295.339	0.222	20	30		CCEDRM
Cn1nc(C(=O)[O-])cc1C(=O)Nc1ccc(C#N)cn1	ZINC001574467244	961582399	/nfs/dbraw/zinc/58/23/99/961582399.db2.gz	ZGPRKLYILMHPKS-UHFFFAOYSA-N	-1	0	271.236	0.637	20	30		CCEDRM
CC(C)[C@H](CNC(=O)C1(C#N)CCOCC1)C(=O)[O-]	ZINC001588817095	961601547	/nfs/dbraw/zinc/60/15/47/961601547.db2.gz	VTSUIOAPMQCOBZ-JTQLQIEISA-N	-1	0	268.313	0.780	20	30		CCEDRM
CC[C@H](NC(=O)Nc1cnc(OC)c(C#N)c1)C(=O)[O-]	ZINC001573943487	961627744	/nfs/dbraw/zinc/62/77/44/961627744.db2.gz	KJHJQNJMQSWYHX-VIFPVBQESA-N	-1	0	278.268	0.947	20	30		CCEDRM
N#CCc1cccc(NC(=O)c2cc(C(=O)[O-])n[nH]2)n1	ZINC001574479201	961648063	/nfs/dbraw/zinc/64/80/63/961648063.db2.gz	GHVMRNPULFQIFN-UHFFFAOYSA-N	-1	0	271.236	0.821	20	30		CCEDRM
N#Cc1csc(CNC(=O)c2cc(C(=O)[O-])n[nH]2)n1	ZINC001574493579	961721283	/nfs/dbraw/zinc/72/12/83/961721283.db2.gz	NPKUEEFYOQUMCB-UHFFFAOYSA-N	-1	0	277.265	0.366	20	30		CCEDRM
CC(C)[C@H](CNS(=O)(=O)CC(C)(C)C#N)C(=O)[O-]	ZINC001588831214	961724019	/nfs/dbraw/zinc/72/40/19/961724019.db2.gz	KWXMQULIRUJAFJ-VIFPVBQESA-N	-1	0	276.358	0.812	20	30		CCEDRM
CC(C)[C@H](CO)CNC(=O)[C@](C)(C#N)CC(=O)[O-]	ZINC001588833194	961730518	/nfs/dbraw/zinc/73/05/18/961730518.db2.gz	HTRGACPYXQVSNX-CABZTGNLSA-N	-1	0	256.302	0.372	20	30		CCEDRM
C#CC[C@@H](NC(=O)c1cc(-c2ccccn2)no1)C(=O)[O-]	ZINC001573302132	962643893	/nfs/dbraw/zinc/64/38/93/962643893.db2.gz	JVQXVBGGDGEROC-SNVBAGLBSA-N	-1	0	285.259	0.943	20	30		CCEDRM
C#C[C@H](CO)NC(=O)Nc1cccc(NC(=O)[O-])c1	ZINC001573302105	962644209	/nfs/dbraw/zinc/64/42/09/962644209.db2.gz	IYGVDLNLBPZYRE-MRVPVSSYSA-N	-1	0	263.253	0.892	20	30		CCEDRM
C#CC[C@H](NC(=O)c1ccnc2c1ncn2C)C(=O)[O-]	ZINC001573302535	962654897	/nfs/dbraw/zinc/65/48/97/962654897.db2.gz	CHQNKNJVDYPMFF-VIFPVBQESA-N	-1	0	272.264	0.175	20	30		CCEDRM
C#CC[C@@H](NC(=O)c1ccc(F)c(C#N)c1)C(=O)[O-]	ZINC001573302658	962659154	/nfs/dbraw/zinc/65/91/54/962659154.db2.gz	DHDYAIJMWQFNSZ-LLVKDONJSA-N	-1	0	260.224	0.904	20	30		CCEDRM
C=C(C)CCC(=O)N1C[C@@H]2C[C@H]1CN2C(=O)CNC(=O)[O-]	ZINC001573324189	962781843	/nfs/dbraw/zinc/78/18/43/962781843.db2.gz	OFAFEDZNQTUZTE-QWRGUYRKSA-N	-1	0	295.339	0.422	20	30		CCEDRM
COc1cc(CCNC(=O)[C@](C)(C#N)CC(=O)[O-])ccn1	ZINC001574181539	962811868	/nfs/dbraw/zinc/81/18/68/962811868.db2.gz	BYDRNTXVWQNUPG-AWEZNQCLSA-N	-1	0	291.307	0.753	20	30		CCEDRM
C=C(CCC(=O)OC)C(=O)N1CC[C@@](C)(C(=O)[O-])C1	ZINC001573330115	962814571	/nfs/dbraw/zinc/81/45/71/962814571.db2.gz	UQVUNTBBXIOTCV-CYBMUJFWSA-N	-1	0	269.297	0.819	20	30		CCEDRM
C=C(CCC(=O)[O-])C(=O)N1CCC(CO)(CO)CC1	ZINC001573332211	962827998	/nfs/dbraw/zinc/82/79/98/962827998.db2.gz	KJZSATVGDPTKSJ-UHFFFAOYSA-N	-1	0	271.313	0.001	20	30		CCEDRM
C=C(CCC(=O)[O-])C(=O)NCC(C)(C)[C@@]1(O)CCOC1	ZINC001573333338	962856854	/nfs/dbraw/zinc/85/68/54/962856854.db2.gz	YSGUMXPZSQUBSW-CQSZACIVSA-N	-1	0	285.340	0.701	20	30		CCEDRM
C=C(C)CCC(=O)N(CCN1CCOCC1)CC(=O)[O-]	ZINC001526739757	962890584	/nfs/dbraw/zinc/89/05/84/962890584.db2.gz	RMCDTBQYVDARQB-UHFFFAOYSA-N	-1	0	284.356	0.588	20	30		CCEDRM
COc1ccc(NC(=O)[C@@H]2CC(C(=O)[O-])=NO2)cc1C#N	ZINC001574217656	962947452	/nfs/dbraw/zinc/94/74/52/962947452.db2.gz	YKJDRLPRRZSXCI-NSHDSACASA-N	-1	0	289.247	0.735	20	30		CCEDRM
C=C[C@H](CC)CC(=O)NCC1CN(C(=O)CNC(=O)[O-])C1	ZINC001573347594	962950932	/nfs/dbraw/zinc/95/09/32/962950932.db2.gz	MQHRPMLPKBRSMX-SNVBAGLBSA-N	-1	0	297.355	0.431	20	30		CCEDRM
C=CCC1(C(=O)NC[C@@H](C)NC(=O)CNC(=O)[O-])CCC1	ZINC001573352507	962988828	/nfs/dbraw/zinc/98/88/28/962988828.db2.gz	DUKOUHZTTAYSAU-SNVBAGLBSA-N	-1	0	297.355	0.621	20	30		CCEDRM
C=CCCCC(=O)N1CC[C@H]1CN(C)C(=O)CNC(=O)[O-]	ZINC001573356558	963007566	/nfs/dbraw/zinc/00/75/66/963007566.db2.gz	DMOGKSPYNYNTOD-NSHDSACASA-N	-1	0	297.355	0.670	20	30		CCEDRM
N#Cc1ncn(Cc2ncccc2C(=O)[O-])c1C#N	ZINC000302448488	963086971	/nfs/dbraw/zinc/08/69/71/963086971.db2.gz	XCKDUJZZAQWCEJ-UHFFFAOYSA-N	-1	0	253.221	0.768	20	30		CCEDRM
N#Cc1ccc(CNCc2cc(C(=O)[O-])no2)nc1	ZINC001570980648	963089403	/nfs/dbraw/zinc/08/94/03/963089403.db2.gz	YTZKKEHFJLFKNT-UHFFFAOYSA-N	-1	0	258.237	0.929	20	30		CCEDRM
N#CC1(CNCc2cc(C(=O)[O-])no2)CCOCC1	ZINC001570984953	963116671	/nfs/dbraw/zinc/11/66/71/963116671.db2.gz	PBNMUKFVBCQRBE-UHFFFAOYSA-N	-1	0	265.269	0.783	20	30		CCEDRM
C=C(Cl)CN1CCN(C(=O)[C@H]2C[C@H]2C(=O)[O-])CC1	ZINC001570999602	963209245	/nfs/dbraw/zinc/20/92/45/963209245.db2.gz	JNYPFTQCYPDHOM-VHSXEESVSA-N	-1	0	272.732	0.604	20	30		CCEDRM
C=CCCNS(=O)(=O)c1cc(C(=O)[O-])ccn1	ZINC000310243170	963394418	/nfs/dbraw/zinc/39/44/18/963394418.db2.gz	BYJKOMVDPBYPLT-UHFFFAOYSA-N	-1	0	256.283	0.634	20	30		CCEDRM
C#CCCCCC(=O)O[C@H]1CCN(CCC(=O)[O-])C1=O	ZINC001588440678	964042001	/nfs/dbraw/zinc/04/20/01/964042001.db2.gz	IEEMJJAFQCNZCJ-NSHDSACASA-N	-1	0	281.308	0.799	20	30		CCEDRM
C#CCCCCC(=O)O[C@H]1C[C@@H](C(=O)[O-])N(C)C1	ZINC001588440773	964045624	/nfs/dbraw/zinc/04/56/24/964045624.db2.gz	QALAIYAHZGTTFE-QWRGUYRKSA-N	-1	0	253.298	0.881	20	30		CCEDRM
C=C(CCC(=O)OC)C(=O)NC1(CC(=O)[O-])CCOCC1	ZINC001588444417	964062239	/nfs/dbraw/zinc/06/22/39/964062239.db2.gz	BAYSYBSHZLEQLP-UHFFFAOYSA-N	-1	0	299.323	0.636	20	30		CCEDRM
C#CCCCS(=O)(=O)N[C@@H](CC(=C)C)C(=O)[O-]	ZINC001588446969	964082054	/nfs/dbraw/zinc/08/20/54/964082054.db2.gz	PTXBOZAGDBCPLI-JTQLQIEISA-N	-1	0	259.327	0.739	20	30		CCEDRM
C#CCCCn1nnnc1N1CCC2(C[C@@H]2C(=O)[O-])CC1	ZINC001588447848	964092220	/nfs/dbraw/zinc/09/22/20/964092220.db2.gz	QTXMFWIURCVVOT-LLVKDONJSA-N	-1	0	289.339	0.778	20	30		CCEDRM
C[C@](O)(CNC(=O)Nc1ccc(C#N)cc1)C(=O)[O-]	ZINC000090276681	967588060	/nfs/dbraw/zinc/58/80/60/967588060.db2.gz	GIGUDLXIDSPUDS-LBPRGKRZSA-N	-1	0	263.253	0.515	20	30		CCEDRM
C#CCN(CC(=O)[O-])C(=O)c1cnn2ccccc12	ZINC000231894961	967739808	/nfs/dbraw/zinc/73/98/08/967739808.db2.gz	JIQSORDMYJGOHQ-UHFFFAOYSA-N	-1	0	257.249	0.494	20	30		CCEDRM
C#CCN(CC(=O)[O-])C(=O)N[C@@H]1CSC[C@@H]1C	ZINC000397864278	968260027	/nfs/dbraw/zinc/26/00/27/968260027.db2.gz	ZHVQHBCPKNOKBC-DTWKUNHWSA-N	-1	0	256.327	0.467	20	30		CCEDRM
C[C@@](C#N)(CC(=O)[O-])C(=O)N[C@H]1CCOC1(C)C	ZINC001609692911	970451643	/nfs/dbraw/zinc/45/16/43/970451643.db2.gz	DXXRIOPUFYPXCX-UFBFGSQYSA-N	-1	0	254.286	0.675	20	30		CCEDRM
C=CC[C@@H](CO)NS(=O)(=O)Cc1ccc(C(=O)[O-])cc1	ZINC000321136034	970746802	/nfs/dbraw/zinc/74/68/02/970746802.db2.gz	SIRLGSKQLVRPIZ-LBPRGKRZSA-N	-1	0	299.348	0.741	20	30		CCEDRM
CCn1cc(OC(=O)[C@](C)(C#N)CC(=O)[O-])cn1	ZINC001610463071	970750803	/nfs/dbraw/zinc/75/08/03/970750803.db2.gz	ZABWBIAXBPKQLH-NSHDSACASA-N	-1	0	251.242	0.813	20	30		CCEDRM
C=CC[C@@H](CC)NS(=O)(=O)N1CCC(C(=O)[O-])CC1	ZINC000393783935	972640425	/nfs/dbraw/zinc/64/04/25/972640425.db2.gz	YDCFYNIULMVOSG-LLVKDONJSA-N	-1	0	290.385	0.972	20	30		CCEDRM
C=CCNC(=O)CNCc1cc(C)c(C(=O)[O-])o1	ZINC000393813881	972645402	/nfs/dbraw/zinc/64/54/02/972645402.db2.gz	FHWMWIMZCLZYOO-UHFFFAOYSA-N	-1	0	252.270	0.678	20	30		CCEDRM
COC(=O)[C@]12C[C@H]1C[C@H](NC(=O)[C@@](C)(C#N)CC(=O)[O-])C2	ZINC001604361942	973059545	/nfs/dbraw/zinc/05/95/45/973059545.db2.gz	WROFNJBDIWUYCO-VQSQSKOLSA-N	-1	0	294.307	0.449	20	30		CCEDRM
C[C@@H]1CN(C(=O)[C@@H]2CC[C@@H]2C(=O)[O-])C[C@@H](C)N1CC#N	ZINC001603451404	973263287	/nfs/dbraw/zinc/26/32/87/973263287.db2.gz	VXHQTSAWVKUNFC-KKOKHZNYSA-N	-1	0	279.340	0.542	20	30		CCEDRM
Cc1nnc(CCNC(=O)[C@@](C)(C#N)CC(=O)[O-])s1	ZINC001605440159	973491328	/nfs/dbraw/zinc/49/13/28/973491328.db2.gz	BYHXVRSDXKRPAC-LLVKDONJSA-N	-1	0	282.325	0.510	20	30		CCEDRM
C=C(C)COCCNC(=O)N1C[C@H](O)C[C@@H](C(=O)[O-])C1	ZINC000401941246	973548141	/nfs/dbraw/zinc/54/81/41/973548141.db2.gz	PAHHKLDCQYEBMN-GHMZBOCLSA-N	-1	0	286.328	0.056	20	30		CCEDRM
Cn1[nH]cc2c(=NC(=O)[C@@](C)(C#N)CC(=O)[O-])ccnc1-2	ZINC001605466915	973567080	/nfs/dbraw/zinc/56/70/80/973567080.db2.gz	FMZBSWKHGYJLHK-CYBMUJFWSA-N	-1	0	287.279	0.285	20	30		CCEDRM
Cn1cc(C#N)cc1C(=O)OCC1(C(=O)[O-])CCOCC1	ZINC001605481032	973596280	/nfs/dbraw/zinc/59/62/80/973596280.db2.gz	FCKKCQDAMRECAA-UHFFFAOYSA-N	-1	0	292.291	0.935	20	30		CCEDRM
COCCCN(CCOC)C(=O)[C@](C)(C#N)CC(=O)[O-]	ZINC001604578379	973665044	/nfs/dbraw/zinc/66/50/44/973665044.db2.gz	HCIOAJVWEJUOEU-ZDUSSCGKSA-N	-1	0	286.328	0.502	20	30		CCEDRM
N#CC[C@H](NC(=O)[C@@]1(C(=O)[O-])CCCO1)C(F)(F)F	ZINC001605581738	973861583	/nfs/dbraw/zinc/86/15/83/973861583.db2.gz	KEPKFZCEOSEEFR-IMTBSYHQSA-N	-1	0	280.202	0.581	20	30		CCEDRM
N#CC1CCN(C(=O)c2cccn(CC(=O)[O-])c2=O)CC1	ZINC001605582647	973866014	/nfs/dbraw/zinc/86/60/14/973866014.db2.gz	ASACVCHXTFWQAF-UHFFFAOYSA-N	-1	0	289.291	0.309	20	30		CCEDRM
N#C[C@H]1CN(C(=O)C2(C(=O)[O-])CC=CC2)CCO1	ZINC001605583552	973873529	/nfs/dbraw/zinc/87/35/29/973873529.db2.gz	VNNCXUJKXVFVOR-VIFPVBQESA-N	-1	0	250.254	0.158	20	30		CCEDRM
N#C[C@@H]1CN(C(=O)N[C@@H]2CCC[C@H]2CC(=O)[O-])CCO1	ZINC000405752044	973903588	/nfs/dbraw/zinc/90/35/88/973903588.db2.gz	CZMIFIBLGVZUPN-HBNTYKKESA-N	-1	0	281.312	0.564	20	30		CCEDRM
N#Cc1cccc(ONC(=O)c2cc(C(=O)[O-])n[nH]2)c1	ZINC001605619987	973941442	/nfs/dbraw/zinc/94/14/42/973941442.db2.gz	ORWREEOYPCNCQN-UHFFFAOYSA-N	-1	0	272.220	0.703	20	30		CCEDRM
CCCC[C@H](ON=C(C)C)C(=O)NC[C@@](C)(O)C(=O)[O-]	ZINC001603640184	973979120	/nfs/dbraw/zinc/97/91/20/973979120.db2.gz	AOTGYMHHFONCQC-GXFFZTMASA-N	-1	0	288.344	0.909	20	30		CCEDRM
CC(C)OC[C@H](C(=O)[O-])N(C)C(=O)c1cccc(C#N)n1	ZINC001591709166	975578405	/nfs/dbraw/zinc/57/84/05/975578405.db2.gz	HFQSACFMQYIZPM-GFCCVEGCSA-N	-1	0	291.307	0.903	20	30		CCEDRM
C[C@@H](/C=C\C(=O)[O-])NS(=O)(=O)c1ccsc1C#N	ZINC001592210798	977257634	/nfs/dbraw/zinc/25/76/34/977257634.db2.gz	GVRHIJLUHPXTLX-XDVGHUOJSA-N	-1	0	286.334	0.927	20	30		CCEDRM
C[C@@H](/C=C/C(=O)[O-])NS(=O)(=O)CC1(C#N)CC1	ZINC001592220374	977392932	/nfs/dbraw/zinc/39/29/32/977392932.db2.gz	XJVUKZORTBKEDU-SGJFDWMWSA-N	-1	0	258.299	0.239	20	30		CCEDRM
C[C@@H](CC#N)NS(=O)(=O)c1cncc(C(=O)[O-])c1	ZINC001592225959	977415242	/nfs/dbraw/zinc/41/52/42/977415242.db2.gz	QLQJLNZTJQBFPD-ZETCQYMHSA-N	-1	0	269.282	0.360	20	30		CCEDRM
C[C@H](CC(=O)[O-])C(=O)NCC#C[C@H]1CCCCO1	ZINC001592351436	977825032	/nfs/dbraw/zinc/82/50/32/977825032.db2.gz	JZPGZGXBLZQPHS-GHMZBOCLSA-N	-1	0	253.298	0.786	20	30		CCEDRM
C[C@@H](CC=NNC(=S)NC[C@H]1CCCO1)C(=O)[O-]	ZINC001592470390	978221522	/nfs/dbraw/zinc/22/15/22/978221522.db2.gz	HUILJBAHPIDIEC-DTWKUNHWSA-N	-1	0	273.358	0.726	20	30		CCEDRM
C[C@H](CN(C1CC1)S(=O)(=O)CC1(C#N)CC1)C(=O)[O-]	ZINC001592593920	978527315	/nfs/dbraw/zinc/52/73/15/978527315.db2.gz	NSXUUFJWDZVMHG-SECBINFHSA-N	-1	0	286.353	0.805	20	30		CCEDRM
CC[C@H](CC#N)NC(=O)C(=O)Nc1cc(C(=O)[O-])n(C)c1	ZINC001595029406	979157344	/nfs/dbraw/zinc/15/73/44/979157344.db2.gz	APHWQLYOCIQPTE-MRVPVSSYSA-N	-1	0	292.295	0.470	20	30		CCEDRM
C[C@@H](CS(=O)(=O)NCC1CCC(C#N)CC1)C(=O)[O-]	ZINC001592807006	979472931	/nfs/dbraw/zinc/47/29/31/979472931.db2.gz	BVVJHZGBBQLELB-WHXUTIOJSA-N	-1	0	288.369	0.956	20	30		CCEDRM
C[C@H](Cc1ccc(C#N)cc1)C(=O)NC[C@@](C)(O)C(=O)[O-]	ZINC001592834861	979580504	/nfs/dbraw/zinc/58/05/04/979580504.db2.gz	YUTVAOJCMULOEI-MEBBXXQBSA-N	-1	0	290.319	0.689	20	30		CCEDRM
CCC[C@@](C)(NS(=O)(=O)CC1(C#N)CC1)C(=O)[O-]	ZINC001595558861	981438033	/nfs/dbraw/zinc/43/80/33/981438033.db2.gz	FJNLDZXCXKVOLO-SNVBAGLBSA-N	-1	0	274.342	0.853	20	30		CCEDRM
CCCC[C@H](NC(=O)[C@H](C)n1cnc(C#N)n1)C(=O)[O-]	ZINC001595634597	981890151	/nfs/dbraw/zinc/89/01/51/981890151.db2.gz	QQSMTQPHRKFKJB-IUCAKERBSA-N	-1	0	279.300	0.470	20	30		CCEDRM
CC[C@H](C)[C@H](NC(=O)Cn1cc(C#N)cn1)C(=O)[O-]	ZINC001594908184	982397620	/nfs/dbraw/zinc/39/76/20/982397620.db2.gz	DNJLQINVEZDYJO-KWQFWETISA-N	-1	0	264.285	0.370	20	30		CCEDRM
N#C[C@@]1(C(=O)Nc2ccn(CC(=O)[O-])n2)CCCOC1	ZINC001574242068	983200208	/nfs/dbraw/zinc/20/02/08/983200208.db2.gz	SOMUUEKIZYQJFT-LBPRGKRZSA-N	-1	0	278.268	0.227	20	30		CCEDRM
C#CC(C)(C)N(C)S(=O)(=O)CC(C)(C)C(=O)[O-]	ZINC001588367300	983298792	/nfs/dbraw/zinc/29/87/92/983298792.db2.gz	PGAJQTYDOULLHC-UHFFFAOYSA-N	-1	0	261.343	0.771	20	30		CCEDRM
C#C[C@H](CO)NC(=O)c1[nH]c(CC)c(C(=O)[O-])c1C	ZINC001588370689	983321554	/nfs/dbraw/zinc/32/15/54/983321554.db2.gz	LCVPTQJEXSCPJT-MRVPVSSYSA-N	-1	0	264.281	0.308	20	30		CCEDRM
C#C[C@@H](CO)NC(=O)c1[nH]c(CC)c(C(=O)[O-])c1C	ZINC001588370690	983321812	/nfs/dbraw/zinc/32/18/12/983321812.db2.gz	LCVPTQJEXSCPJT-QMMMGPOBSA-N	-1	0	264.281	0.308	20	30		CCEDRM
C#C[C@@H](CO)NC(=O)Nc1ccc([C@@H]2C[C@H]2C(=O)[O-])cc1	ZINC001588370942	983323306	/nfs/dbraw/zinc/32/33/06/983323306.db2.gz	RFSWWCKXJLQFGE-WCFLWFBJSA-N	-1	0	288.303	0.990	20	30		CCEDRM
C#C[C@@H](CO)NC(=O)Nc1cc(COC)cc(C(=O)[O-])c1	ZINC001588371171	983325155	/nfs/dbraw/zinc/32/51/55/983325155.db2.gz	XZXRWLHYCMFUKW-NSHDSACASA-N	-1	0	292.291	0.647	20	30		CCEDRM
C#C[C@H](CCC)NS(=O)(=O)c1ccc(C(=O)[O-])nc1	ZINC001588371238	983325845	/nfs/dbraw/zinc/32/58/45/983325845.db2.gz	ZSOCPZJQRKAGOV-SECBINFHSA-N	-1	0	282.321	0.860	20	30		CCEDRM
C#C[C@H](NC(=O)N1CC[C@@H](C(=O)[O-])[C@@H](C)C1)[C@@H]1CCCO1	ZINC001588372777	983333580	/nfs/dbraw/zinc/33/35/80/983333580.db2.gz	SJWHJVKDGVYHKI-RNJOBUHISA-N	-1	0	294.351	0.919	20	30		CCEDRM
C#CC1(O)CCN(C(=O)Nc2cccc(C(=O)[O-])n2)CC1	ZINC001588379311	983363546	/nfs/dbraw/zinc/36/35/46/983363546.db2.gz	CVNKXBQYMCYPIA-UHFFFAOYSA-N	-1	0	289.291	0.772	20	30		CCEDRM
C#CC1CCN(C(=O)CN2CCC[C@@H](C(=O)[O-])C2=O)CC1	ZINC001588383124	983377667	/nfs/dbraw/zinc/37/76/67/983377667.db2.gz	OCKZSPDFHHPPBA-GFCCVEGCSA-N	-1	0	292.335	0.181	20	30		CCEDRM
C#CC[C@@H](CCOC)NC(=O)C12CC(C(=O)[O-])(C1)C2	ZINC001588390280	983392491	/nfs/dbraw/zinc/39/24/91/983392491.db2.gz	PVZYUZBLUPHMCX-FNBIGBAISA-N	-1	0	265.309	0.786	20	30		CCEDRM
C#CC[C@H](COC)NC(=O)Nc1cc(C(=O)[O-])n(C)c1	ZINC001588393642	983399437	/nfs/dbraw/zinc/39/94/37/983399437.db2.gz	DLCLCDUSUFAOIR-SECBINFHSA-N	-1	0	279.296	0.883	20	30		CCEDRM
C#CC[C@H](NC(=O)C[C@H](C)CC(=O)[O-])C(=O)OC	ZINC001588405902	983423294	/nfs/dbraw/zinc/42/32/94/983423294.db2.gz	KAZFOLJOXMVDOL-IUCAKERBSA-N	-1	0	255.270	0.168	20	30		CCEDRM
C#CC[C@@H](NC(=O)[C@@H]1CCCN(C(C)(C)C)C1=O)C(=O)[O-]	ZINC001588406974	983426826	/nfs/dbraw/zinc/42/68/26/983426826.db2.gz	UKFYLMXYYOBELR-WDEREUQCSA-N	-1	0	294.351	0.616	20	30		CCEDRM
C#CC[C@H](NC(=O)Cc1cccc(C(=O)OC)c1)C(=O)[O-]	ZINC001588407670	983428995	/nfs/dbraw/zinc/42/89/95/983428995.db2.gz	MBAQLGXBRMLLHQ-LBPRGKRZSA-N	-1	0	289.287	0.608	20	30		CCEDRM
C#CC[C@H](NC(=O)Cc1ccncc1Cl)C(=O)[O-]	ZINC001588408012	983430338	/nfs/dbraw/zinc/43/03/38/983430338.db2.gz	UXGVRQIKOCXQKE-JTQLQIEISA-N	-1	0	266.684	0.870	20	30		CCEDRM
C#CC[C@@H](NC(=O)c1ccnc(-n2cccn2)c1)C(=O)[O-]	ZINC001588415655	983435236	/nfs/dbraw/zinc/43/52/36/983435236.db2.gz	CWNUGOZXNPHFTQ-LLVKDONJSA-N	-1	0	284.275	0.474	20	30		CCEDRM
C#CC[C@@H](NS(=O)(=O)c1cccc(N(C)C)c1)C(=O)[O-]	ZINC001588428569	983462560	/nfs/dbraw/zinc/46/25/60/983462560.db2.gz	TUAMLRITGNCHCS-GFCCVEGCSA-N	-1	0	296.348	0.507	20	30		CCEDRM
C#CC[C@H]1NC(=O)N(c2ccc(C(=O)[O-])c(OC)c2)C1=O	ZINC001588433777	983468575	/nfs/dbraw/zinc/46/85/75/983468575.db2.gz	CLMBPTJOCNDFLP-SNVBAGLBSA-N	-1	0	288.259	0.842	20	30		CCEDRM
C#CC[C@H]1CCN(S(=O)(=O)c2cc(C(=O)[O-])n(C)c2)C1	ZINC001588433992	983468698	/nfs/dbraw/zinc/46/86/98/983468698.db2.gz	FJUBGVLVSTVBFG-JTQLQIEISA-N	-1	0	296.348	0.757	20	30		CCEDRM
C#CCCn1nnnc1N1CCC[C@@H](CCC(=O)[O-])C1	ZINC001588457615	983482094	/nfs/dbraw/zinc/48/20/94/983482094.db2.gz	FDGYGPDZPHQLMM-NSHDSACASA-N	-1	0	277.328	0.778	20	30		CCEDRM
C#CCN(C)C(=O)Nc1nnc(CCC(=O)[O-])s1	ZINC001588461276	983489428	/nfs/dbraw/zinc/48/94/28/983489428.db2.gz	KIIRPFTXELQSFA-UHFFFAOYSA-N	-1	0	268.298	0.652	20	30		CCEDRM
C#CCN(CC#N)S(=O)(=O)CC1(CC(=O)[O-])CC1	ZINC001588465807	983496651	/nfs/dbraw/zinc/49/66/51/983496651.db2.gz	IJHMZUDNMUAMOE-UHFFFAOYSA-N	-1	0	270.310	0.030	20	30		CCEDRM
C#CCN1CCCN(C(=O)c2cc(C(=O)[O-])co2)CC1	ZINC001588476428	983511449	/nfs/dbraw/zinc/51/14/49/983511449.db2.gz	BZGQHIKIQYWBLH-UHFFFAOYSA-N	-1	0	276.292	0.759	20	30		CCEDRM
C#CCN1CCC[C@H](NC(=O)N2CC[C@@H](C(=O)[O-])C2)C1	ZINC001588477390	983515749	/nfs/dbraw/zinc/51/57/49/983515749.db2.gz	ZFWBIKUFCVDOHC-NEPJUHHUSA-N	-1	0	279.340	0.200	20	30		CCEDRM
C#CCNC(=O)[C@@H](C)OC(=O)c1ccncc1C(=O)[O-]	ZINC001588479609	983520738	/nfs/dbraw/zinc/52/07/38/983520738.db2.gz	WGOJIQSVRLLBAL-MRVPVSSYSA-N	-1	0	276.248	0.075	20	30		CCEDRM
C#CCNC(=O)COC(=O)c1[nH]c(C)c(C(=O)[O-])c1C	ZINC001588484025	983522764	/nfs/dbraw/zinc/52/27/64/983522764.db2.gz	OCKICWHTRNIBPE-UHFFFAOYSA-N	-1	0	278.264	0.236	20	30		CCEDRM
C#CCOCCC(=O)N1CC(F)(F)C[C@H]1C(=O)[O-]	ZINC001588490225	983531206	/nfs/dbraw/zinc/53/12/06/983531206.db2.gz	VZDXPISAOPZBGB-QMMMGPOBSA-N	-1	0	261.224	0.347	20	30		CCEDRM
C#CCOCCNC(=O)/C=C/c1cc(C(=O)[O-])co1	ZINC001588491631	983537026	/nfs/dbraw/zinc/53/70/26/983537026.db2.gz	RICAIUVSELVYRI-ONEGZZNKSA-N	-1	0	263.249	0.757	20	30		CCEDRM
C#CCOc1ccc(C(=O)N[C@H](CF)C(=O)[O-])cc1	ZINC001588499384	983545704	/nfs/dbraw/zinc/54/57/04/983545704.db2.gz	YLMDISNSYWOXBC-LLVKDONJSA-N	-1	0	265.240	0.851	20	30		CCEDRM
CCN([C@H](C)C#N)S(=O)(=O)c1cc(C(=O)[O-])co1	ZINC001596177658	983546423	/nfs/dbraw/zinc/54/64/23/983546423.db2.gz	DFUAWOKNRAFTLF-SSDOTTSWSA-N	-1	0	272.282	0.900	20	30		CCEDRM
C#CCSCC(=O)Nc1nc2n(c1C(=O)[O-])CCC2	ZINC001588506034	983550459	/nfs/dbraw/zinc/55/04/59/983550459.db2.gz	FWXHLRDMRZFSNT-UHFFFAOYSA-N	-1	0	279.321	0.832	20	30		CCEDRM
C#CCn1cc(CNC(=O)c2ccc(C(=O)[O-])[nH]2)cn1	ZINC001588509845	983554042	/nfs/dbraw/zinc/55/40/42/983554042.db2.gz	QSWXVTWQYWCPLR-UHFFFAOYSA-N	-1	0	272.264	0.473	20	30		CCEDRM
C#Cc1cccc(CNC(=O)Cn2cc(C(=O)[O-])nn2)c1	ZINC001588518097	983568226	/nfs/dbraw/zinc/56/82/26/983568226.db2.gz	QANXZRKNUGMCNJ-UHFFFAOYSA-N	-1	0	284.275	0.274	20	30		CCEDRM
C=C(C)C(C)(C)C(=O)N1C[C@H](C(=O)[O-])[C@H](C(=O)OC)C1	ZINC001588530124	983583554	/nfs/dbraw/zinc/58/35/54/983583554.db2.gz	QYIOLROWNHLCFC-VHSXEESVSA-N	-1	0	283.324	0.921	20	30		CCEDRM
C=C(C)C[C@@H](NC(=O)[C@H](C)n1ccnc1)C(=O)[O-]	ZINC001588537786	983602127	/nfs/dbraw/zinc/60/21/27/983602127.db2.gz	YDSHIAOREWOIBQ-VHSXEESVSA-N	-1	0	251.286	0.980	20	30		CCEDRM
C=C(C)C[C@H](NC(=O)Cc1ccc(=O)[nH]c1)C(=O)[O-]	ZINC001588543163	983610973	/nfs/dbraw/zinc/61/09/73/983610973.db2.gz	XKSYWZBNPPUCOH-JTQLQIEISA-N	-1	0	264.281	0.865	20	30		CCEDRM
C=C(C)C[C@H](NC(=O)c1cc(C(N)=O)c[nH]1)C(=O)[O-]	ZINC001588543400	983611733	/nfs/dbraw/zinc/61/17/33/983611733.db2.gz	INQNDOWFZVTHTI-VIFPVBQESA-N	-1	0	265.269	0.263	20	30		CCEDRM
CCN(CC(=O)[O-])CC(=O)NCc1ccc(C#N)cc1	ZINC001596222251	983613447	/nfs/dbraw/zinc/61/34/47/983613447.db2.gz	KTJZNNKTCNRKPC-UHFFFAOYSA-N	-1	0	275.308	0.581	20	30		CCEDRM
C=C(C)C[C@H](NC(=O)Cc1nnc(NC)s1)C(=O)[O-]	ZINC001588544274	983613944	/nfs/dbraw/zinc/61/39/44/983613944.db2.gz	ZTWNCHHOXVFIFT-ZETCQYMHSA-N	-1	0	284.341	0.658	20	30		CCEDRM
C=C(C)C[C@H](NC(=O)c1ccc(O)cn1)C(=O)[O-]	ZINC001588546873	983617495	/nfs/dbraw/zinc/61/74/95/983617495.db2.gz	RUPHBEKKVNVLND-JTQLQIEISA-N	-1	0	250.254	0.936	20	30		CCEDRM
C=C(C)C[C@@H](NC(C)=O)C(=O)N1CC[C@H](C(=O)[O-])C1	ZINC001588547016	983617875	/nfs/dbraw/zinc/61/78/75/983617875.db2.gz	GVYDOESLPQTNED-WDEREUQCSA-N	-1	0	268.313	0.390	20	30		CCEDRM
C=C(C)C[C@@H](NC(=O)c1cnc2[nH]c(=O)[nH]c2c1)C(=O)[O-]	ZINC001588547683	983621245	/nfs/dbraw/zinc/62/12/45/983621245.db2.gz	GCCUFDITEIFZIQ-SECBINFHSA-N	-1	0	290.279	0.813	20	30		CCEDRM
C=C(C)C[C@H](NC(C)=O)C(=O)Nc1cc(C(=O)[O-])nn1C	ZINC001588547826	983621918	/nfs/dbraw/zinc/62/19/18/983621918.db2.gz	NQZQWIWRHVIPPY-VIFPVBQESA-N	-1	0	294.311	0.528	20	30		CCEDRM
C=C(C)CN(C)C(=O)C(=O)N1CCC[C@@H]1CC(=O)[O-]	ZINC001588561664	983642767	/nfs/dbraw/zinc/64/27/67/983642767.db2.gz	UDHSKAKAXCQFCJ-SNVBAGLBSA-N	-1	0	268.313	0.487	20	30		CCEDRM
C=C(C)CN(CC)C(=O)CN1CCC[C@H](O)[C@@H]1C(=O)[O-]	ZINC001588563364	983645155	/nfs/dbraw/zinc/64/51/55/983645155.db2.gz	RUYDCSKHDAAHDS-WCQYABFASA-N	-1	0	284.356	0.321	20	30		CCEDRM
C=C(CCC(=O)[O-])C(=O)N(C)[C@@H](C)CN1CCOCC1	ZINC001588606610	983697630	/nfs/dbraw/zinc/69/76/30/983697630.db2.gz	AXHSACHZYUFMKY-LBPRGKRZSA-N	-1	0	284.356	0.587	20	30		CCEDRM
C=C(CCC(=O)[O-])C(=O)N1CC(=O)N(C)[C@@H](C)C1	ZINC001588612026	983701513	/nfs/dbraw/zinc/70/15/13/983701513.db2.gz	GAIKYAOMRRPKJV-VIFPVBQESA-N	-1	0	254.286	0.097	20	30		CCEDRM
C=C(CCC(=O)[O-])C(=O)N1CCC[C@@H](CNC(C)=O)C1	ZINC001588613628	983704521	/nfs/dbraw/zinc/70/45/21/983704521.db2.gz	AOACIWUBYOJKQK-LBPRGKRZSA-N	-1	0	282.340	0.782	20	30		CCEDRM
C=C(CCC(=O)[O-])C(=O)N[C@H](C(=O)OC)C(C)C	ZINC001588619576	983717549	/nfs/dbraw/zinc/71/75/49/983717549.db2.gz	YRBFEXGQMISCAG-JTQLQIEISA-N	-1	0	257.286	0.721	20	30		CCEDRM
C=C(CCC(=O)[O-])C(=O)N[C@@H](C)c1nnc(CC)[nH]1	ZINC001588621781	983720679	/nfs/dbraw/zinc/72/06/79/983720679.db2.gz	JTAPWRMFHYONJR-QMMMGPOBSA-N	-1	0	266.301	0.965	20	30		CCEDRM
C=C(CCC(=O)[O-])C(=O)N[C@@H]1C[C@H](OCC)[C@H]1OC	ZINC001588621828	983720945	/nfs/dbraw/zinc/72/09/45/983720945.db2.gz	KPMPGIZXHUHJOZ-SCVCMEIPSA-N	-1	0	271.313	0.716	20	30		CCEDRM
C=C(CCC(=O)[O-])C(=O)N[C@@H]1CCCN(CC)C1=O	ZINC001588623616	983728877	/nfs/dbraw/zinc/72/88/77/983728877.db2.gz	UEFGODFXIGMWMN-SNVBAGLBSA-N	-1	0	268.313	0.535	20	30		CCEDRM
C=C(CCC(=O)[O-])C(=O)NCCCCS(C)(=O)=O	ZINC001588624550	983733191	/nfs/dbraw/zinc/73/31/91/983733191.db2.gz	MTULAJBOWHHRNV-UHFFFAOYSA-N	-1	0	277.342	0.348	20	30		CCEDRM
C=C(CCC(=O)[O-])C(=O)NCCCc1c[nH][nH]c1=O	ZINC001588624600	983733393	/nfs/dbraw/zinc/73/33/93/983733393.db2.gz	PJVLCNDUQLRUQJ-VIFPVBQESA-N	-1	0	267.285	0.036	20	30		CCEDRM
C=C(CCC(=O)[O-])C(=O)NC[C@@H]1CN(C2CC2)C(=O)O1	ZINC001588624632	983733765	/nfs/dbraw/zinc/73/37/65/983733765.db2.gz	QIABUOZDYAMYGQ-SNVBAGLBSA-N	-1	0	282.296	0.507	20	30		CCEDRM
C=C(CO)C(=O)NC[C@@H](Oc1ccc(F)cc1)C(=O)[O-]	ZINC001588637139	983759003	/nfs/dbraw/zinc/75/90/03/983759003.db2.gz	ILTHKTYNOZSMSH-LLVKDONJSA-N	-1	0	283.255	0.322	20	30		CCEDRM
C=C1CN(C[C@@H](O)COc2ccc(C(=O)[O-])cc2)C1	ZINC001588650441	983771934	/nfs/dbraw/zinc/77/19/34/983771934.db2.gz	AJBMMZDJZRRJMS-GFCCVEGCSA-N	-1	0	263.293	0.996	20	30		CCEDRM
C=C[C@H](C(=O)[O-])N1CCC[C@@](O)(Cc2nc(CC)no2)C1	ZINC001588664078	983798120	/nfs/dbraw/zinc/79/81/20/983798120.db2.gz	SIZROTNLKBRAKX-QMTHXVAHSA-N	-1	0	295.339	0.641	20	30		CCEDRM
C=C[C@@H](C(=O)[O-])N1CCC[C@@H](OC(=O)N(C)C)C1	ZINC001588664136	983798781	/nfs/dbraw/zinc/79/87/81/983798781.db2.gz	SYFIGWIAESPUMN-ZJUUUORDSA-N	-1	0	256.302	0.788	20	30		CCEDRM
C=CC(C)(C)CNC(=O)Cn1ccc(C(=O)[O-])n1	ZINC001588677071	983832775	/nfs/dbraw/zinc/83/27/75/983832775.db2.gz	NQSWIRIPPHJAQY-UHFFFAOYSA-N	-1	0	251.286	0.910	20	30		CCEDRM
C=C[C@@](C)(O)CC(=O)N[C@@H](CCC1OCCO1)C(=O)[O-]	ZINC001588684387	983858643	/nfs/dbraw/zinc/85/86/43/983858643.db2.gz	PSDMQBITAMGHFY-TVQRCGJNSA-N	-1	0	287.312	0.036	20	30		CCEDRM
C=C[C@H](C)NC(=O)C(=O)Nc1cnn(C(C)(C)C(=O)[O-])c1	ZINC001588688020	983872755	/nfs/dbraw/zinc/87/27/55/983872755.db2.gz	WGXJCCYAKPLZLS-QMMMGPOBSA-N	-1	0	294.311	0.332	20	30		CCEDRM
C=C[C@H](CC)CC(=O)N1CCNC(=O)[C@H]1CC(=O)[O-]	ZINC001588690583	983875122	/nfs/dbraw/zinc/87/51/22/983875122.db2.gz	CQYQBANTUJSRGF-NXEZZACHSA-N	-1	0	268.313	0.390	20	30		CCEDRM
C=C[C@@H](CC)OC(=O)CN1CCC[C@@H](C(=O)[O-])C1=O	ZINC001588692459	983881734	/nfs/dbraw/zinc/88/17/34/983881734.db2.gz	BYUHEEIEZHXNKY-VHSXEESVSA-N	-1	0	269.297	0.817	20	30		CCEDRM
C=C[C@@H](O)c1nnc(N2CC[C@](C)(C(=O)[O-])C2)n1C	ZINC001588704478	983924098	/nfs/dbraw/zinc/92/40/98/983924098.db2.gz	FCGCVFSYXKKTRO-PELKAZGASA-N	-1	0	266.301	0.336	20	30		CCEDRM
C=C[C@@H](OC(=O)[C@H](C)NC(=O)c1ccccc1)C(=O)[O-]	ZINC001588705404	983927045	/nfs/dbraw/zinc/92/70/45/983927045.db2.gz	MWUGAFXUPLQQOB-GXSJLCMTSA-N	-1	0	277.276	0.987	20	30		CCEDRM
C=C[C@@H](O)C(=O)N[C@@H](C(=O)[O-])c1ccc(O)cc1	ZINC001588705553	983927474	/nfs/dbraw/zinc/92/74/74/983927474.db2.gz	ODVQPFGCONIIDI-NXEZZACHSA-N	-1	0	251.238	0.181	20	30		CCEDRM
C=C[C@H](O)C(=O)N[C@@H]1CCCn2nc(C(=O)[O-])cc21	ZINC001588706283	983930340	/nfs/dbraw/zinc/93/03/40/983930340.db2.gz	XTOUILCKHZBTNN-XCBNKYQSSA-N	-1	0	265.269	0.079	20	30		CCEDRM
C=C[C@H](OC(=O)CN(C)[C@H]1CCSC1)C(=O)[O-]	ZINC001588710702	983933788	/nfs/dbraw/zinc/93/37/88/983933788.db2.gz	HVXILGFQVFKXJS-IUCAKERBSA-N	-1	0	259.327	0.606	20	30		CCEDRM
C=C[C@@H](OC(=O)c1nnn(C(C)(C)C)n1)C(=O)[O-]	ZINC001588713239	983948313	/nfs/dbraw/zinc/94/83/13/983948313.db2.gz	STLSOBLKPHNXFF-ZCFIWIBFSA-N	-1	0	254.246	0.224	20	30		CCEDRM
C=CC[C@H](C(=O)OC)N1CCO[C@@H](CC(=O)[O-])C1	ZINC001588731025	984004054	/nfs/dbraw/zinc/00/40/54/984004054.db2.gz	BPZPYBOSRRGBRN-VHSXEESVSA-N	-1	0	257.286	0.280	20	30		CCEDRM
C=CCC(C)(C)C(=O)NCCCNC(=O)[C@H]1C[C@H]1C(=O)[O-]	ZINC001588732002	984015479	/nfs/dbraw/zinc/01/54/79/984015479.db2.gz	SZKBWAGFNOOLAR-WDEREUQCSA-N	-1	0	296.367	0.932	20	30		CCEDRM
C=CC[C@H](CO)NC(=O)N[C@@H]1CCC[C@H]1CC(=O)[O-]	ZINC001588744708	984045537	/nfs/dbraw/zinc/04/55/37/984045537.db2.gz	PTDXMVYWVGVEDW-HBNTYKKESA-N	-1	0	270.329	0.866	20	30		CCEDRM
C=CC[C@H](Nc1ccn(CC(=O)OCC)n1)C(=O)[O-]	ZINC001588751315	984075852	/nfs/dbraw/zinc/07/58/52/984075852.db2.gz	LDRHXQBKMHHMMD-VIFPVBQESA-N	-1	0	267.285	0.887	20	30		CCEDRM
C=CC[C@@H](Nc1ccn(CC(=O)OCC)n1)C(=O)[O-]	ZINC001588751314	984076155	/nfs/dbraw/zinc/07/61/55/984076155.db2.gz	LDRHXQBKMHHMMD-SECBINFHSA-N	-1	0	267.285	0.887	20	30		CCEDRM
C=CC[C@H](OC(=O)C(C)(C)CNC(C)=O)C(=O)[O-]	ZINC001588752278	984080664	/nfs/dbraw/zinc/08/06/64/984080664.db2.gz	VBMBWDIOCCAVGS-VIFPVBQESA-N	-1	0	257.286	0.721	20	30		CCEDRM
C=CC[C@@H](OC(=O)[C@H](C)CS(C)(=O)=O)C(=O)[O-]	ZINC001588752359	984080855	/nfs/dbraw/zinc/08/08/55/984080855.db2.gz	WJMRFCPCZFLNFZ-HTQZYQBOSA-N	-1	0	264.299	0.240	20	30		CCEDRM
C=CC[C@@H](OC(=O)CC(=O)NCC(F)(F)F)C(=O)[O-]	ZINC001588753530	984086688	/nfs/dbraw/zinc/08/66/88/984086688.db2.gz	JAXZJDJCOKYFLF-ZCFIWIBFSA-N	-1	0	283.202	0.628	20	30		CCEDRM
C=CC[C@H](OC(=O)c1cc(C(=O)OC)nn1C)C(=O)[O-]	ZINC001588756967	984099964	/nfs/dbraw/zinc/09/99/64/984099964.db2.gz	QWVPPYPDSYGDNM-VIFPVBQESA-N	-1	0	282.252	0.393	20	30		CCEDRM
C=CC[C@@H]1CCN1C(=O)C(=O)Nc1cccc(C(=O)[O-])n1	ZINC001588772707	984144758	/nfs/dbraw/zinc/14/47/58/984144758.db2.gz	MFWNIZDGELAUES-SECBINFHSA-N	-1	0	289.291	0.895	20	30		CCEDRM
C=CC[C@H]1CCN1C(=O)C(=O)Nc1cccc(C(=O)[O-])n1	ZINC001588772709	984144870	/nfs/dbraw/zinc/14/48/70/984144870.db2.gz	MFWNIZDGELAUES-VIFPVBQESA-N	-1	0	289.291	0.895	20	30		CCEDRM
C=CCCC(=O)NC[C@H](CO)Nc1ncc(C(=O)[O-])cn1	ZINC001588773736	984149158	/nfs/dbraw/zinc/14/91/58/984149158.db2.gz	HRBDUDXOONGQNE-SNVBAGLBSA-N	-1	0	294.311	0.030	20	30		CCEDRM
C=CC[C@@H]1NC(=O)N(Cc2ncc(C(=O)[O-])s2)C1=O	ZINC001588773823	984149856	/nfs/dbraw/zinc/14/98/56/984149856.db2.gz	LCFWLCXFWVRXOR-LURJTMIESA-N	-1	0	281.293	0.838	20	30		CCEDRM
C=CCC[C@@H](NC(=O)[C@@H]1CC[C@H](C(=O)[O-])O1)C(=O)OCC	ZINC001588778453	984160489	/nfs/dbraw/zinc/16/04/89/984160489.db2.gz	ASYFGGGCAXEEKT-OUAUKWLOSA-N	-1	0	299.323	0.633	20	30		CCEDRM
C=CCCCC(=O)N1C[C@H](C(=O)OC)[C@H](C(=O)[O-])C1	ZINC001588781531	984166582	/nfs/dbraw/zinc/16/65/82/984166582.db2.gz	AVVINCXDLSEHEQ-ZJUUUORDSA-N	-1	0	269.297	0.675	20	30		CCEDRM
C=CCCC[C@H](NC(=O)CSCC(N)=O)C(=O)[O-]	ZINC001588788840	984193951	/nfs/dbraw/zinc/19/39/51/984193951.db2.gz	PHYHMKHOVHDXPN-QMMMGPOBSA-N	-1	0	274.342	0.131	20	30		CCEDRM
C=CCCC[C@H](NC(=O)C1CN(C(C)=O)C1)C(=O)[O-]	ZINC001588789589	984199152	/nfs/dbraw/zinc/19/91/52/984199152.db2.gz	FSQIMGJGYBMWBR-NSHDSACASA-N	-1	0	268.313	0.390	20	30		CCEDRM
C=CCCC[C@H](NC(=O)c1c[nH]c(=O)n1C)C(=O)[O-]	ZINC001588794325	984226515	/nfs/dbraw/zinc/22/65/15/984226515.db2.gz	RAXHVAXPMVYGLT-QMMMGPOBSA-N	-1	0	267.285	0.665	20	30		CCEDRM
C=CCCn1cc(C(=O)O[C@@H](C)CC(=O)[O-])nn1	ZINC001588817751	984277230	/nfs/dbraw/zinc/27/72/30/984277230.db2.gz	USOAKJCDJKDPDB-QMMMGPOBSA-N	-1	0	253.258	0.874	20	30		CCEDRM
C=CCN1CC[C@@H](N(C)[C@@H](C(=O)[O-])c2cccnc2)C1=O	ZINC001588838403	984336978	/nfs/dbraw/zinc/33/69/78/984336978.db2.gz	DKBWMRGSMZUGKT-CHWSQXEVSA-N	-1	0	289.335	0.926	20	30		CCEDRM
C=CCNC(=O)C(=O)Nc1ccc(C(=O)[O-])cc1C	ZINC001588838743	984340770	/nfs/dbraw/zinc/34/07/70/984340770.db2.gz	IMXHAXCLSVUQHX-UHFFFAOYSA-N	-1	0	262.265	0.934	20	30		CCEDRM
C=CCN1CC[C@H](N2CC[C@H](C)C[C@H]2C(=O)[O-])C1=O	ZINC001588838889	984342455	/nfs/dbraw/zinc/34/24/55/984342455.db2.gz	MAEHUGPPNVELLH-SRVKXCTJSA-N	-1	0	266.341	0.958	20	30		CCEDRM
C=CCN1CC[C@@H](N2CCC[C@@H]3C[C@@]32C(=O)[O-])C1=O	ZINC001588838991	984343894	/nfs/dbraw/zinc/34/38/94/984343894.db2.gz	MWXASXWZZPMFKL-GYSYKLTISA-N	-1	0	264.325	0.712	20	30		CCEDRM
C=CCN1CCC(NS(=O)(=O)C[C@@H](C)C(=O)[O-])CC1	ZINC001588839397	984346346	/nfs/dbraw/zinc/34/63/46/984346346.db2.gz	QLTSANIDNILXHQ-SNVBAGLBSA-N	-1	0	290.385	0.277	20	30		CCEDRM
C=CCNC(=O)[C@H](C)OC(=O)c1csc(C(=O)[O-])n1	ZINC001588839564	984348625	/nfs/dbraw/zinc/34/86/25/984348625.db2.gz	URRYSYCULYUENC-LURJTMIESA-N	-1	0	284.293	0.689	20	30		CCEDRM
C=CCNC(=O)N1CCC[C@@H](n2cc(C(=O)[O-])nn2)C1	ZINC001588844896	984360723	/nfs/dbraw/zinc/36/07/23/984360723.db2.gz	YNSGVOJYMWDFJU-SECBINFHSA-N	-1	0	279.300	0.509	20	30		CCEDRM
C=CCOCC(=O)O[C@H]1CCCN(CCC(=O)[O-])C1=O	ZINC001588851194	984383802	/nfs/dbraw/zinc/38/38/02/984383802.db2.gz	YHSYMQZBGQMOTF-JTQLQIEISA-N	-1	0	285.296	0.198	20	30		CCEDRM
C=CCOC[C@H](NC(=O)[C@H](CC(=C)C)NC(C)=O)C(=O)[O-]	ZINC001588855579	984393719	/nfs/dbraw/zinc/39/37/19/984393719.db2.gz	LVXNYJSIZSDRAN-RYUDHWBXSA-N	-1	0	298.339	0.229	20	30		CCEDRM
C=CCOC[C@H](NC(=O)[C@H]1CCN(C(=O)CC)C1)C(=O)[O-]	ZINC001588855960	984395740	/nfs/dbraw/zinc/39/57/40/984395740.db2.gz	SPCHPGYKQLGWHU-QWRGUYRKSA-N	-1	0	298.339	0.017	20	30		CCEDRM
C=CCOC[C@H](NC(=O)Cc1cccc(C#N)c1)C(=O)[O-]	ZINC001588856782	984401870	/nfs/dbraw/zinc/40/18/70/984401870.db2.gz	PVVXJZKDCVWUFF-ZDUSSCGKSA-N	-1	0	288.303	0.873	20	30		CCEDRM
C=CCOC[C@H](NC(=O)Cc1cncc(O)c1)C(=O)[O-]	ZINC001588857442	984403466	/nfs/dbraw/zinc/40/34/66/984403466.db2.gz	ZCANZWPVYVUJDJ-NSHDSACASA-N	-1	0	280.280	0.102	20	30		CCEDRM
C=CCOC[C@H](NC(=O)c1ccccc1O)C(=O)[O-]	ZINC001588862156	984417388	/nfs/dbraw/zinc/41/73/88/984417388.db2.gz	RDUCHMFGGLKQHM-JTQLQIEISA-N	-1	0	265.265	0.778	20	30		CCEDRM
C=CCOC[C@@H](NCc1cc(C(=O)OC)no1)C(=O)[O-]	ZINC001588865876	984420804	/nfs/dbraw/zinc/42/08/04/984420804.db2.gz	DNQQVNOCLWSHAZ-SNVBAGLBSA-N	-1	0	284.268	0.207	20	30		CCEDRM
C=CCOCCCN1C(=O)N[C@@H]([C@@H]2C[C@H]2C(=O)[O-])C1=O	ZINC001588866317	984424121	/nfs/dbraw/zinc/42/41/21/984424121.db2.gz	FQDPLKMCUAGAEJ-BBBLOLIVSA-N	-1	0	282.296	0.220	20	30		CCEDRM
C=CCOCCCNC(=O)Nc1ccn(CC(=O)[O-])n1	ZINC001588868948	984436558	/nfs/dbraw/zinc/43/65/58/984436558.db2.gz	HHJOQMKSXAXRDU-UHFFFAOYSA-N	-1	0	282.300	0.682	20	30		CCEDRM
C=CCOCCN1CCN(C(=O)[C@@H]2C[C@@H]2C(=O)[O-])CC1	ZINC001588869201	984438720	/nfs/dbraw/zinc/43/87/20/984438720.db2.gz	ZDXUYRYYOVYLKA-NEPJUHHUSA-N	-1	0	282.340	0.054	20	30		CCEDRM
C=CCS(=O)(=O)CCNC(=O)C[C@H](C)CC(=O)[O-]	ZINC001588879150	984456766	/nfs/dbraw/zinc/45/67/66/984456766.db2.gz	SZEHVCUADXXKNB-VIFPVBQESA-N	-1	0	277.342	0.204	20	30		CCEDRM
CC#CC[C@@H](CO)NC(=O)NCc1ncc(C(=O)[O-])s1	ZINC001588926155	984591510	/nfs/dbraw/zinc/59/15/10/984591510.db2.gz	LJGFLRLJLXNROQ-QMMMGPOBSA-N	-1	0	297.336	0.415	20	30		CCEDRM
CC#CC[C@H](CO)NC(=O)NC/C=C(\C)C(=O)[O-]	ZINC001588926466	984594520	/nfs/dbraw/zinc/59/45/20/984594520.db2.gz	YZNCFAVWQOKLGI-OLKPEBQYSA-N	-1	0	254.286	0.091	20	30		CCEDRM
CC#CCNC(=O)C(=O)Nc1cc(C(=O)[O-])cs1	ZINC001588931229	984602001	/nfs/dbraw/zinc/60/20/01/984602001.db2.gz	OSFNSYBNRDMGFI-UHFFFAOYSA-N	-1	0	266.278	0.524	20	30		CCEDRM
CC#CCNC(=O)[C@@H](CCC(=O)[O-])NC(=O)OC(C)(C)C	ZINC001588932032	984605296	/nfs/dbraw/zinc/60/52/96/984605296.db2.gz	JDPFYUXOYBPCTA-SNVBAGLBSA-N	-1	0	298.339	0.884	20	30		CCEDRM
C[C@H](/N=C\c1ccccc1O)C(=O)N[C@@H](C)C(=O)[O-]	ZINC001599891405	984698289	/nfs/dbraw/zinc/69/82/89/984698289.db2.gz	NFHZXDVSRKNFJL-VKBCPBDISA-N	-1	0	264.281	0.789	20	30		CCEDRM
CCO[C@H]1C[C@](NCC(=O)NCCC#N)(C(=O)[O-])C1(C)C	ZINC001596833732	985470928	/nfs/dbraw/zinc/47/09/28/985470928.db2.gz	PXHBCGNEQOFEKZ-HZMBPMFUSA-N	-1	0	297.355	0.264	20	30		CCEDRM
Cc1[nH]c(C=NN2CCC[C@H]2CO)cc1C(=O)[O-]	ZINC001599960582	985774094	/nfs/dbraw/zinc/77/40/94/985774094.db2.gz	SHIMGFGEIKXRLY-JTQLQIEISA-N	-1	0	251.286	0.812	20	30		CCEDRM
CCOCCCN(C[C@H](C)C(=O)[O-])C(=O)C#CCOC	ZINC001596908325	985906052	/nfs/dbraw/zinc/90/60/52/985906052.db2.gz	ROKAJMVIBMFKFL-LBPRGKRZSA-N	-1	0	285.340	0.612	20	30		CCEDRM
Cc1c(C(=O)N2C[C@@H](F)C[C@H]2C(=O)[O-])cnn1CCC#N	ZINC001599977056	986108709	/nfs/dbraw/zinc/10/87/09/986108709.db2.gz	SORNYHBWVRUZPO-ONGXEEELSA-N	-1	0	294.286	0.742	20	30		CCEDRM
C[C@H](C#N)C(=O)N(C)[C@H](C)CNc1ccnc(C(=O)[O-])n1	ZINC001589323831	986151360	/nfs/dbraw/zinc/15/13/60/986151360.db2.gz	OPDXYMRDVUDOIY-RKDXNWHRSA-N	-1	0	291.311	0.015	20	30		CCEDRM
C[C@H](C#N)C(=O)N(C)CCNc1ncc(C(=O)[O-])cn1	ZINC001589324167	986154290	/nfs/dbraw/zinc/15/42/90/986154290.db2.gz	WSKNGUURTDRGRM-MRVPVSSYSA-N	-1	0	277.284	0.205	20	30		CCEDRM
C[C@@H](C#N)CNS(=O)(=O)c1ccc(C#N)cc1C(=O)[O-]	ZINC001589330653	986175851	/nfs/dbraw/zinc/17/58/51/986175851.db2.gz	MEYGKJKUYWIIIJ-QMMMGPOBSA-N	-1	0	293.304	0.694	20	30		CCEDRM
C[C@@H](C#N)OCCSCCc1cn(CC(=O)[O-])nn1	ZINC001589331397	986185420	/nfs/dbraw/zinc/18/54/20/986185420.db2.gz	DBELHFGOROVBCO-VIFPVBQESA-N	-1	0	284.341	0.567	20	30		CCEDRM
C[C@@H](C#N)OC(=O)Cn1cccc(C(=O)[O-])c1=O	ZINC001589331822	986192572	/nfs/dbraw/zinc/19/25/72/986192572.db2.gz	PXUUGFMXRHOIMX-ZETCQYMHSA-N	-1	0	250.210	0.002	20	30		CCEDRM
C[C@H](C(=O)N1CCC(C(=O)[O-])CC1)N1CCC[C@@H](C#N)C1	ZINC001589349388	986300434	/nfs/dbraw/zinc/30/04/34/986300434.db2.gz	GSKNIMKHIFHBJM-NEPJUHHUSA-N	-1	0	293.367	0.934	20	30		CCEDRM
C[C@H]1CN(c2ncc(C(=O)[O-])cn2)C[C@H](C)N1CC#N	ZINC001594583691	986451258	/nfs/dbraw/zinc/45/12/58/986451258.db2.gz	MPGFQINCEHSESU-UWVGGRQHSA-N	-1	0	275.312	0.597	20	30		CCEDRM
C[C@@H](C(=O)NC1(C#N)CCC1)N1CC[C@@](F)(C(=O)[O-])C1	ZINC001589388809	986498239	/nfs/dbraw/zinc/49/82/39/986498239.db2.gz	RDRIAGZXUOTMSA-ZANVPECISA-N	-1	0	283.303	0.436	20	30		CCEDRM
CCS(=O)(=O)C1CN(c2ccc(C(=O)[O-])nc2C#N)C1	ZINC001597208548	987120292	/nfs/dbraw/zinc/12/02/92/987120292.db2.gz	YBSLHAPXMWJEFS-UHFFFAOYSA-N	-1	0	295.320	0.275	20	30		CCEDRM
CC(C)(C#N)CS(=O)(=O)N1CCO[C@@H](CC(=O)[O-])C1	ZINC001589557374	987305505	/nfs/dbraw/zinc/30/55/05/987305505.db2.gz	BYKXPQQRIHDJFM-VIFPVBQESA-N	-1	0	290.341	0.041	20	30		CCEDRM
CC(C)(C)C#CC(=O)N1CCC[C@@H](O)[C@H]1C(=O)[O-]	ZINC001589682014	987716670	/nfs/dbraw/zinc/71/66/70/987716670.db2.gz	LYFSXXVXZCNJTG-KOLCDFICSA-N	-1	0	253.298	0.472	20	30		CCEDRM
CC(C)(C)C#CC(=O)OCCc1cn(CC(=O)[O-])nn1	ZINC001589685238	987725397	/nfs/dbraw/zinc/72/53/97/987725397.db2.gz	WCWITCSWCHDFNV-UHFFFAOYSA-N	-1	0	279.296	0.498	20	30		CCEDRM
CC(C)(C)OC(=O)CN(CCC(=O)[O-])C[C@H](O)CC#N	ZINC001589883912	988564725	/nfs/dbraw/zinc/56/47/25/988564725.db2.gz	VYIRTOKMQPIKNY-SNVBAGLBSA-N	-1	0	286.328	0.379	20	30		CCEDRM
CCc1noc(CCCC(=O)N(CC#N)CCC(=O)[O-])n1	ZINC001597749218	989143859	/nfs/dbraw/zinc/14/38/59/989143859.db2.gz	WNIOGKAWADMTHR-UHFFFAOYSA-N	-1	0	294.311	0.782	20	30		CCEDRM
CCn1cc(CN=Nc2ccc(C(=O)[O-])cn2)nn1	ZINC001597881220	989705838	/nfs/dbraw/zinc/70/58/38/989705838.db2.gz	VZILKQCXWIZNBT-UHFFFAOYSA-N	-1	0	260.257	0.837	20	30		CCEDRM
CN(C(C)(C)C(=O)[O-])S(=O)(=O)CC1(CC#N)CC1	ZINC001598106824	990489468	/nfs/dbraw/zinc/48/94/68/990489468.db2.gz	UUNDSFMEYYVGBY-UHFFFAOYSA-N	-1	0	274.342	0.805	20	30		CCEDRM
CN(C)C[C@@](C)(C#N)NC(=O)[C@H]1CC[C@@H](CCC(=O)[O-])O1	ZINC001598200019	990810762	/nfs/dbraw/zinc/81/07/62/990810762.db2.gz	XDPGCIPJRZSGFA-MISXGVKJSA-N	-1	0	297.355	0.359	20	30		CCEDRM
CN(C)C[C@@](C)(C#N)NC(=O)/C=C\c1cc(C(=O)[O-])co1	ZINC001598199988	990810847	/nfs/dbraw/zinc/81/08/47/990810847.db2.gz	VPDUGBDFQVQBES-ZRUQZJFASA-N	-1	0	291.307	0.951	20	30		CCEDRM
CC(C)(Oc1ccc(C#N)cc1)C(=O)N[C@@H](CO)C(=O)[O-]	ZINC001590904328	990865214	/nfs/dbraw/zinc/86/52/14/990865214.db2.gz	BZHWENCOPNDXNB-NSHDSACASA-N	-1	0	292.291	0.277	20	30		CCEDRM
CN(C1(C#N)CCC1)S(=O)(=O)c1c[nH]c(C(=O)[O-])c1	ZINC001598364265	991505447	/nfs/dbraw/zinc/50/54/47/991505447.db2.gz	FKYLUPNYPMZUNA-UHFFFAOYSA-N	-1	0	283.309	0.780	20	30		CCEDRM
CC(C)C[C@H](NC(=O)Cn1cc(C#N)ccc1=O)C(=O)[O-]	ZINC001591178119	991974211	/nfs/dbraw/zinc/97/42/11/991974211.db2.gz	MYKBCGYZLJBWDE-NSHDSACASA-N	-1	0	291.307	0.335	20	30		CCEDRM
CC(C)C[C@@H](C(=O)[O-])N(C)S(=O)(=O)N(C)CCC#N	ZINC001591432053	992526303	/nfs/dbraw/zinc/52/63/03/992526303.db2.gz	NWKQIQLZZDSYEM-JTQLQIEISA-N	-1	0	291.373	0.508	20	30		CCEDRM
CN1C[C@@H](OC(=O)c2ccc(C#N)s2)C[C@@H]1C(=O)[O-]	ZINC001598575592	993269818	/nfs/dbraw/zinc/26/98/18/993269818.db2.gz	OZDLFOVGXLKOEX-IONNQARKSA-N	-1	0	280.305	0.934	20	30		CCEDRM
COc1ccc(O)c(/C=N/CCC(=O)NCCC(=O)[O-])c1	ZINC001599599013	993788579	/nfs/dbraw/zinc/78/85/79/993788579.db2.gz	ZNSSRBWFZKKFCT-OQLLNIDSSA-N	-1	0	294.307	0.801	20	30		CCEDRM
COc1ccc2c(c1)C[C@@H](CN(CC#N)CC(=O)[O-])O2	ZINC001599626900	994161373	/nfs/dbraw/zinc/16/13/73/994161373.db2.gz	NXMQFHVFAMWTKO-LBPRGKRZSA-N	-1	0	276.292	0.909	20	30		CCEDRM
C[C@](O)(CNc1nccc(C#N)c1[N+](=O)[O-])C(=O)[O-]	ZINC001593416685	995199344	/nfs/dbraw/zinc/19/93/44/995199344.db2.gz	BJJYAVGXHSSLGY-JTQLQIEISA-N	-1	0	266.213	0.109	20	30		CCEDRM
C[C@H](O)CN(C)N=Cc1cccn1[C@@H](C)C(=O)[O-]	ZINC001593456401	995357572	/nfs/dbraw/zinc/35/75/72/995357572.db2.gz	FUOTZUBRNPBLLI-UWVGGRQHSA-N	-1	0	253.302	0.780	20	30		CCEDRM
COC(=O)[C@H]1C[C@H](C(=O)[O-])CCN1C(=O)C#CC(C)(C)C	ZINC001598746054	995595556	/nfs/dbraw/zinc/59/55/56/995595556.db2.gz	WTWHXAWDYYMIHG-GHMZBOCLSA-N	-1	0	295.335	0.901	20	30		CCEDRM
C[C@@H](OC(=O)c1cscc1C#N)C(=O)NCC(=O)[O-]	ZINC001593600414	995753028	/nfs/dbraw/zinc/75/30/28/995753028.db2.gz	ZQLLHYLMQUDMPI-ZCFIWIBFSA-N	-1	0	282.277	0.366	20	30		CCEDRM
C[C@]1(C#N)CN(C(=O)c2csc(C(=O)[O-])n2)CCO1	ZINC001593743280	996366517	/nfs/dbraw/zinc/36/65/17/996366517.db2.gz	MDMBVBQORGLHHK-NSHDSACASA-N	-1	0	281.293	0.596	20	30		CCEDRM
COC(=O)[C@H]1CN(c2snc(C)c2C#N)C[C@@H]1C(=O)[O-]	ZINC001598827585	996399918	/nfs/dbraw/zinc/39/99/18/996399918.db2.gz	NNPZHHUHXRUCHA-IUCAKERBSA-N	-1	0	295.320	0.633	20	30		CCEDRM
COC(=O)[C@H]1CN(c2cc(C#N)cc(C)n2)C[C@@H]1C(=O)[O-]	ZINC001598828354	996408684	/nfs/dbraw/zinc/40/86/84/996408684.db2.gz	QYFFFFHHJNZCIE-QWRGUYRKSA-N	-1	0	289.291	0.572	20	30		CCEDRM
COC(=O)C[C@H](C)CC(=O)N(CC#N)CC(=O)[O-]	ZINC001598835883	996484431	/nfs/dbraw/zinc/48/44/31/996484431.db2.gz	NWKQQPULKFLHQG-MRVPVSSYSA-N	-1	0	256.258	0.012	20	30		CCEDRM
COC[C@@H](NC(=O)c1cc(C#N)[nH]c1C)C(=O)[O-]	ZINC001599174773	996821040	/nfs/dbraw/zinc/82/10/40/996821040.db2.gz	SMUDYMRHPFFRPL-SECBINFHSA-N	-1	0	251.242	0.024	20	30		CCEDRM
COC[C@H](OC)C(=O)OCC#Cc1cccc(C(=O)[O-])c1	ZINC001599185227	997013506	/nfs/dbraw/zinc/01/35/06/997013506.db2.gz	ANBDJFSQZNQOAT-ZDUSSCGKSA-N	-1	0	292.287	0.941	20	30		CCEDRM
COCc1ccccc1S(=O)(=O)N(CC#N)CC(=O)[O-]	ZINC001599296831	997158317	/nfs/dbraw/zinc/15/83/17/997158317.db2.gz	WKQMIVSNCFJJPL-UHFFFAOYSA-N	-1	0	298.320	0.432	20	30		CCEDRM
CON=CC(=O)N[C@H](CC(=O)[O-])c1ccc(OC)cc1	ZINC001599319994	997564765	/nfs/dbraw/zinc/56/47/65/997564765.db2.gz	KBWJPMYAORIDIY-LLVKDONJSA-N	-1	0	280.280	0.959	20	30		CCEDRM
CON=CC(=O)NCc1ccccc1CC(=O)[O-]	ZINC001599320461	997572312	/nfs/dbraw/zinc/57/23/12/997572312.db2.gz	PLDQXSYOUFJRQE-UHFFFAOYSA-N	-1	0	250.254	0.562	20	30		CCEDRM
COCC[C@@H](NC(=O)c1c[nH]c(C#N)c1)C(=O)[O-]	ZINC001599215404	997572967	/nfs/dbraw/zinc/57/29/67/997572967.db2.gz	VIYRGIADSPEUHA-SECBINFHSA-N	-1	0	251.242	0.106	20	30		CCEDRM
CON=CC(=O)NC[C@@H](C(=O)[O-])c1ccc(C)cc1	ZINC001599320615	997574734	/nfs/dbraw/zinc/57/47/34/997574734.db2.gz	RGQVLUUKDZCAAL-LLVKDONJSA-N	-1	0	264.281	0.912	20	30		CCEDRM
C[C@@]1(CO)C[C@H](O)CN1Cc1cccc(C(=O)[O-])c1C#N	ZINC001594031774	997610451	/nfs/dbraw/zinc/61/04/51/997610451.db2.gz	GXFFONHUOFWWTE-NHYWBVRUSA-N	-1	0	290.319	0.574	20	30		CCEDRM
CO[C@H]1CCN(C(=O)c2cc(C#N)[nH]c2C)[C@@H](C(=O)[O-])C1	ZINC001599121528	997747716	/nfs/dbraw/zinc/74/77/16/997747716.db2.gz	WKMBPMPJQAWLOY-CMPLNLGQSA-N	-1	0	291.307	0.899	20	30		CCEDRM
CO[C@@H]1CN(C(=O)c2cccc(C#N)n2)[C@](C)(C(=O)[O-])C1	ZINC001599131312	997950419	/nfs/dbraw/zinc/95/04/19/997950419.db2.gz	BOCBUXDLJNEZTC-HZMBPMFUSA-N	-1	0	289.291	0.657	20	30		CCEDRM
COCC#CC(=O)N(CCC(=O)[O-])CC(=O)OC(C)(C)C	ZINC001599137769	998072888	/nfs/dbraw/zinc/07/28/88/998072888.db2.gz	COGPISRGRFAFNT-UHFFFAOYSA-N	-1	0	299.323	0.281	20	30		CCEDRM
COC(=O)c1ccc(C(=O)N(CC#N)CC(=O)[O-])o1	ZINC001598956344	998248446	/nfs/dbraw/zinc/24/84/46/998248446.db2.gz	HFQRUZNMHSWYME-UHFFFAOYSA-N	-1	0	266.209	0.117	20	30		CCEDRM
C[C@H]1[C@@H](C(=O)[O-])CCN1C(=O)C(=O)NCC(C)(C)CC#N	ZINC001594138569	998408048	/nfs/dbraw/zinc/40/80/48/998408048.db2.gz	MLWZJVAUKFHBJB-UWVGGRQHSA-N	-1	0	295.339	0.364	20	30		CCEDRM
COc1cc(C(=O)[O-])ccc1NCC(=O)NCCC#N	ZINC001599376466	998493636	/nfs/dbraw/zinc/49/36/36/998493636.db2.gz	ZHGGJMBYLACHJS-UHFFFAOYSA-N	-1	0	277.280	0.835	20	30		CCEDRM
COC[C@H](NC(=O)Cc1c(C)cc(C#N)cc1C)C(=O)[O-]	ZINC001599168630	998579867	/nfs/dbraw/zinc/57/98/67/998579867.db2.gz	GBVQMYMONKRNMG-ZDUSSCGKSA-N	-1	0	290.319	0.933	20	30		CCEDRM
C[C@@H]1C[C@H](C)[C@@H](C(=O)N(CC#N)CCC(=O)[O-])O1	ZINC001594217748	998839720	/nfs/dbraw/zinc/83/97/20/998839720.db2.gz	YDGRYYVRAPBONZ-NGZCFLSTSA-N	-1	0	254.286	0.627	20	30		CCEDRM
CCC(CC)(CNC(=O)Cn1cnc(C#N)n1)C(=O)[O-]	ZINC000424247064	282088657	/nfs/dbraw/zinc/08/86/57/282088657.db2.gz	MCTCXAAXNKIIAX-UHFFFAOYSA-N	-1	0	279.300	0.157	20	30		CCEDRM
COC(=O)CN(CC#N)Cc1cc([O-])ccc1[N+](=O)[O-]	ZINC000093562185	349546265	/nfs/dbraw/zinc/54/62/65/349546265.db2.gz	FXMFDNCGJOYZHF-UHFFFAOYSA-N	-1	0	279.252	0.799	20	30		CCEDRM
C=CCN(C(=O)c1c[n-]n2c1nccc2=O)[C@@H](C)COC	ZINC000617582657	365686757	/nfs/dbraw/zinc/68/67/57/365686757.db2.gz	RKSVWKLTGLVSNO-JTQLQIEISA-N	-1	0	290.323	0.686	20	30		CCEDRM
COc1nc(C(=O)N=c2[nH][n-]c(C3CC3)c2C#N)co1	ZINC000600823165	362070781	/nfs/dbraw/zinc/07/07/81/362070781.db2.gz	AEZMSIVBMNQSMH-UHFFFAOYSA-N	-1	0	273.252	0.830	20	30		CCEDRM
Cc1[n-][nH]c(=NC(=O)[C@]23C[C@H]2COC3(C)C)c1C#N	ZINC000601679001	362353068	/nfs/dbraw/zinc/35/30/68/362353068.db2.gz	IQZOQSMYEDBSHL-SDBXPKJASA-N	-1	0	260.297	0.765	20	30		CCEDRM
CCCN(CCC)C(=O)Cn1cc(C#N)c(=O)[n-]c1=O	ZINC000602025242	362462645	/nfs/dbraw/zinc/46/26/45/362462645.db2.gz	FRLZYIIBMXXGSW-UHFFFAOYSA-N	-1	0	278.312	0.469	20	30		CCEDRM
C[C@H](C#N)CN(C(=O)CCCc1nnn[n-]1)C1CC1	ZINC000602124549	362505814	/nfs/dbraw/zinc/50/58/14/362505814.db2.gz	HBNJCCMRRWOVMR-SECBINFHSA-N	-1	0	262.317	0.673	20	30		CCEDRM
Cc1[n-][nH]c(=NC(=O)[C@H]2CCN2C2CCCC2)c1C#N	ZINC000602189216	362548999	/nfs/dbraw/zinc/54/89/99/362548999.db2.gz	NCDMJCFXPDDCCE-GFCCVEGCSA-N	-1	0	273.340	0.967	20	30		CCEDRM
Cc1cc(S(=O)(=O)N(CC#N)CC(=O)[O-])c(C)s1	ZINC000738474115	581345407	/nfs/dbraw/zinc/34/54/07/581345407.db2.gz	JNVJPSPSCQHODG-UHFFFAOYSA-N	-1	0	288.350	0.964	20	30		CCEDRM
Cc1cc(C#N)cc(NC(=O)NC[C@](C)(O)C(=O)[O-])c1	ZINC000263353840	137064504	/nfs/dbraw/zinc/06/45/04/137064504.db2.gz	QVKSUQWSLHJAIM-ZDUSSCGKSA-N	-1	0	277.280	0.824	20	30		CCEDRM
N#Cc1cc(NCc2n[nH]c(=O)[n-]2)cc(N)c1[N+](=O)[O-]	ZINC000342506225	137098130	/nfs/dbraw/zinc/09/81/30/137098130.db2.gz	HQNMFPVZNPUPCB-UHFFFAOYSA-N	-1	0	275.228	0.484	20	30		CCEDRM
N#Cc1ccncc1C(=O)N=c1nc2ccccn2[n-]1	ZINC000343600061	137144538	/nfs/dbraw/zinc/14/45/38/137144538.db2.gz	FKXAQCSXHDBKKK-UHFFFAOYSA-N	-1	0	264.248	0.670	20	30		CCEDRM
COCCCOCC(=O)Nc1nc(C#N)c(C#N)[n-]1	ZINC000344813980	137214580	/nfs/dbraw/zinc/21/45/80/137214580.db2.gz	RJYBINXNAGHVNZ-UHFFFAOYSA-N	-1	0	263.257	0.145	20	30		CCEDRM
CCOCCOCC(=O)Nc1nc(C#N)c(C#N)[n-]1	ZINC000344659855	137206527	/nfs/dbraw/zinc/20/65/27/137206527.db2.gz	NBRJQPDBQDIMCL-UHFFFAOYSA-N	-1	0	263.257	0.145	20	30		CCEDRM
CC[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)[O-]	ZINC000035085805	348155084	/nfs/dbraw/zinc/15/50/84/348155084.db2.gz	BPFOGOAGVOXTDN-JTQLQIEISA-N	-1	0	268.294	0.700	20	30		CCEDRM
COCC[C@H](C)CNC(=O)N=c1[n-]n(C)cc1C#N	ZINC000602884243	362862677	/nfs/dbraw/zinc/86/26/77/362862677.db2.gz	APVVIUFDRZEVQV-VIFPVBQESA-N	-1	0	265.317	0.508	20	30		CCEDRM
CC[C@H]1C[C@H](NC(=O)N=c2[n-]n(C)cc2C#N)CCO1	ZINC000602885599	362864490	/nfs/dbraw/zinc/86/44/90/362864490.db2.gz	GOVLPSBOXFXSHC-MNOVXSKESA-N	-1	0	277.328	0.793	20	30		CCEDRM
CN(CC1=CCCOC1)C(=O)N=c1[n-]n(C)cc1C#N	ZINC000602886613	362866173	/nfs/dbraw/zinc/86/61/73/362866173.db2.gz	KFBZEUJMDDAHKE-UHFFFAOYSA-N	-1	0	275.312	0.524	20	30		CCEDRM
COCC1(CNC(=O)N=c2[n-]n(C)cc2C#N)CC1	ZINC000602888360	362867147	/nfs/dbraw/zinc/86/71/47/362867147.db2.gz	SZGLWAUTYRMXRY-UHFFFAOYSA-N	-1	0	263.301	0.262	20	30		CCEDRM
COC[C@]1(C)CCN(C(=O)N=c2[n-]n(C)cc2C#N)C1	ZINC000602879886	362860545	/nfs/dbraw/zinc/86/05/45/362860545.db2.gz	HBEMCOKYRRHSNI-CYBMUJFWSA-N	-1	0	277.328	0.604	20	30		CCEDRM
Cc1cc(C)c(C#N)c(N2CCO[C@H](C(=O)[O-])C2)n1	ZINC000043703217	348313657	/nfs/dbraw/zinc/31/36/57/348313657.db2.gz	DLSBYFYOXPNTEJ-NSHDSACASA-N	-1	0	261.281	0.860	20	30		CCEDRM
CC(C)(C)OC(=O)NCC(=O)Nc1nc(C#N)c(C#N)[n-]1	ZINC000067573003	348777852	/nfs/dbraw/zinc/77/78/52/348777852.db2.gz	SGWLHRJLINEUKK-UHFFFAOYSA-N	-1	0	290.283	0.616	20	30		CCEDRM
N#Cc1cccc(NC(=O)N[C@@]2(C(=O)[O-])CCOC2)c1	ZINC000085855004	349336627	/nfs/dbraw/zinc/33/66/27/349336627.db2.gz	SGYTVYRLWKKCSX-ZDUSSCGKSA-N	-1	0	275.264	0.923	20	30		CCEDRM
Cc1nc(S(=O)(=O)[N-]c2nn(C)cc2C#N)cn1C	ZINC000123347703	187086163	/nfs/dbraw/zinc/08/61/63/187086163.db2.gz	YLOAWAVWKQNHCL-UHFFFAOYSA-N	-1	0	280.313	0.135	20	30		CCEDRM
Cc1n[nH]cc1S(=O)(=O)[N-]c1nn(C)cc1C#N	ZINC000123379006	187088150	/nfs/dbraw/zinc/08/81/50/187088150.db2.gz	BVEDSZMFXIAZPU-UHFFFAOYSA-N	-1	0	266.286	0.124	20	30		CCEDRM
CC(C)(Oc1ccc(C#N)cc1)C(=O)[N-]OCC(N)=O	ZINC000271448283	191144617	/nfs/dbraw/zinc/14/46/17/191144617.db2.gz	VCZTUQRKKQKFGF-UHFFFAOYSA-N	-1	0	277.280	0.249	20	30		CCEDRM
N#Cc1ncccc1S(=O)(=O)NCC1(CO)CCCC1	ZINC000236492711	352195657	/nfs/dbraw/zinc/19/56/57/352195657.db2.gz	OZQFNXQBYHVDSH-UHFFFAOYSA-N	-1	0	295.364	0.784	20	30		CCEDRM
C=CCSCCNC(=O)N[C@]1(C(=O)[O-])CCOC1	ZINC000231958190	352138739	/nfs/dbraw/zinc/13/87/39/352138739.db2.gz	XMEROMBYTQIXHI-LLVKDONJSA-N	-1	0	274.342	0.449	20	30		CCEDRM
CC(C)n1cc(C#N)c(=NC(=O)c2ccc3nnnn3c2)[n-]1	ZINC000531576975	358472563	/nfs/dbraw/zinc/47/25/63/358472563.db2.gz	HROQGPKCKBKFPL-UHFFFAOYSA-N	-1	0	296.294	0.448	20	30		CCEDRM
CC#CC[C@@H](NS(=O)(=O)c1c(C)n[nH]c1C)C(=O)[O-]	ZINC000275018967	353179828	/nfs/dbraw/zinc/17/98/28/353179828.db2.gz	ONDXFABLKDCLQT-SECBINFHSA-N	-1	0	285.325	0.171	20	30		CCEDRM
CC(C)(CNS(=O)(=O)c1ccc(C#N)nc1)C(=O)[O-]	ZINC000159653376	188435438	/nfs/dbraw/zinc/43/54/38/188435438.db2.gz	RVCQUWPTKKVOQX-UHFFFAOYSA-N	-1	0	283.309	0.342	20	30		CCEDRM
N#Cc1cnc(N2CCC[C@@H](c3nc(=O)[n-][nH]3)C2)cn1	ZINC000285521263	353559762	/nfs/dbraw/zinc/55/97/62/353559762.db2.gz	GPHOHELMCVNDAC-MRVPVSSYSA-N	-1	0	271.284	0.144	20	30		CCEDRM
COC(=O)[C@@H]1CC[C@H]1C(=O)Nc1nc(C#N)c(C#N)[n-]1	ZINC000287746897	353665379	/nfs/dbraw/zinc/66/53/79/353665379.db2.gz	WUUBWPICMBKVDO-RNFRBKRXSA-N	-1	0	273.252	0.291	20	30		CCEDRM
C=CCCOCC(=O)NC1(c2nnn[n-]2)CCCC1	ZINC000605530299	363259152	/nfs/dbraw/zinc/25/91/52/363259152.db2.gz	JVNYSLIGJNZORH-UHFFFAOYSA-N	-1	0	265.317	0.678	20	30		CCEDRM
N#Cc1cncnc1NCC1(C(=O)[O-])CCOCC1	ZINC000311508837	354200808	/nfs/dbraw/zinc/20/08/08/354200808.db2.gz	RAJYJFDKNXRSPC-UHFFFAOYSA-N	-1	0	262.269	0.642	20	30		CCEDRM
Cc1nc([N-]S(=O)(=O)c2cccc(C#N)c2)nn1C	ZINC000427654195	235374465	/nfs/dbraw/zinc/37/44/65/235374465.db2.gz	MLNXPTTXACXUTG-UHFFFAOYSA-N	-1	0	277.309	0.796	20	30		CCEDRM
C[C@H](Oc1cccnc1)C(=O)Nc1nc(C#N)c(C#N)[n-]1	ZINC000352610933	356030766	/nfs/dbraw/zinc/03/07/66/356030766.db2.gz	ZHNJKFYSFHIXLN-QMMMGPOBSA-N	-1	0	282.263	0.954	20	30		CCEDRM
N#Cc1ccc(F)c(CS(=O)(=O)NCC(=O)[O-])c1	ZINC000362003604	138041638	/nfs/dbraw/zinc/04/16/38/138041638.db2.gz	VXHGXBNOWWCHNR-UHFFFAOYSA-N	-1	0	272.257	0.201	20	30		CCEDRM
C=CCOCC(=O)N[C@@H](Cc1ccncc1)C(=O)[O-]	ZINC000655598879	412629143	/nfs/dbraw/zinc/62/91/43/412629143.db2.gz	JBRJAPNKJITAMC-NSHDSACASA-N	-1	0	264.281	0.396	20	30		CCEDRM
N#Cc1cc(C(=O)NCc2n[n-]c(=N)o2)ccc1F	ZINC000354839710	356511447	/nfs/dbraw/zinc/51/14/47/356511447.db2.gz	RDJOAJUNFLSCKE-UHFFFAOYSA-N	-1	0	261.216	0.423	20	30		CCEDRM
Cn1cc(C#N)c(=NC(=O)NCC2([S@@](C)=O)CCC2)[n-]1	ZINC000619556344	366281006	/nfs/dbraw/zinc/28/10/06/366281006.db2.gz	HKPGUYJSNPNYFR-HXUWFJFHSA-N	-1	0	295.368	0.136	20	30		CCEDRM
C[C@@H](NS(=O)(=O)c1ccc(C#N)o1)[C@H](C)C(=O)[O-]	ZINC000560481739	291104395	/nfs/dbraw/zinc/10/43/95/291104395.db2.gz	SQGULSKWKHVNTN-NKWVEPMBSA-N	-1	0	272.282	0.539	20	30		CCEDRM
C=CCN(C)C(=O)N=c1ccc(C(=O)OC)n[n-]1	ZINC000619628586	366304914	/nfs/dbraw/zinc/30/49/14/366304914.db2.gz	AQQWPCOSCRNFOJ-UHFFFAOYSA-N	-1	0	250.258	0.335	20	30		CCEDRM
C=C[C@@H](C)NC(=O)N=c1ccc(C(=O)OC)n[n-]1	ZINC000619632977	366305876	/nfs/dbraw/zinc/30/58/76/366305876.db2.gz	XPUVCFCUAMNVOS-SSDOTTSWSA-N	-1	0	250.258	0.381	20	30		CCEDRM
Cn1cc(C#N)c(=NC(=O)NCc2ccncc2)[n-]1	ZINC000610527998	363572880	/nfs/dbraw/zinc/57/28/80/363572880.db2.gz	FWBMRVLXRATZOX-UHFFFAOYSA-N	-1	0	256.269	0.430	20	30		CCEDRM
CN(C[C@@H]1CCCO1)C(=O)N=c1[n-]n(C)cc1C#N	ZINC000610561115	363577059	/nfs/dbraw/zinc/57/70/59/363577059.db2.gz	FQWWOMRWDUMTSQ-JTQLQIEISA-N	-1	0	263.301	0.356	20	30		CCEDRM
Cn1cc(C#N)c(=NC(=O)NCc2ccc(C(N)=O)cc2)[n-]1	ZINC000610564671	363579632	/nfs/dbraw/zinc/57/96/32/363579632.db2.gz	TUMVUQGCGCVJQA-UHFFFAOYSA-N	-1	0	298.306	0.134	20	30		CCEDRM
CC[C@H]1C[C@H](C(=O)N=c2[n-]n(C)cc2C#N)CCO1	ZINC000408154029	357942957	/nfs/dbraw/zinc/94/29/57/357942957.db2.gz	HRHGETFLRULSLK-KOLCDFICSA-N	-1	0	262.313	0.857	20	30		CCEDRM
C#CCCS(=O)(=O)[N-]C(=O)/C=C\c1cncc(OC)c1	ZINC000493850182	358311823	/nfs/dbraw/zinc/31/18/23/358311823.db2.gz	GISPYAMVXYJXAB-WAYWQWQTSA-N	-1	0	294.332	0.573	20	30		CCEDRM
CN(CCCn1ccnc1)C(=O)N=c1[n-]n(C)cc1C#N	ZINC000610876743	363625183	/nfs/dbraw/zinc/62/51/83/363625183.db2.gz	ZPBZPZWJDKLDGJ-UHFFFAOYSA-N	-1	0	287.327	0.464	20	30		CCEDRM
Cc1n[nH]c(C(=O)N[C@]2(C#N)CCSC2)c1[O-]	ZINC000610986751	363641129	/nfs/dbraw/zinc/64/11/29/363641129.db2.gz	PMHAKNYYTGLVAH-JTQLQIEISA-N	-1	0	252.299	0.553	20	30		CCEDRM
CC(C)[C@](C)(CO)NC(=O)N=c1[n-]n(C)cc1C#N	ZINC000589332332	359379227	/nfs/dbraw/zinc/37/92/27/359379227.db2.gz	BOZJEHGTRDQRRE-LBPRGKRZSA-N	-1	0	265.317	0.242	20	30		CCEDRM
Cc1[n-][nH]c(=NC(=O)c2cnc3[nH]cnc3c2)c1C#N	ZINC000588714718	359332827	/nfs/dbraw/zinc/33/28/27/359332827.db2.gz	UMEFQZUSPLYNPP-UHFFFAOYSA-N	-1	0	267.252	0.535	20	30		CCEDRM
CN(C[C@H]1CCC[C@H]1O)C(=O)N=c1[n-]n(C)cc1C#N	ZINC000611112067	363661204	/nfs/dbraw/zinc/66/12/04/363661204.db2.gz	RZYHEUXVTUEEDE-MWLCHTKSSA-N	-1	0	277.328	0.338	20	30		CCEDRM
CC[C@@H]1OCC[C@H]1NC(=O)N=c1[n-]n(C)cc1C#N	ZINC000590957401	359542431	/nfs/dbraw/zinc/54/24/31/359542431.db2.gz	ADELNDWCGBNFTL-ZJUUUORDSA-N	-1	0	263.301	0.403	20	30		CCEDRM
CO[C@H]([C@H](C)NC(=O)N=c1[n-]n(C)cc1C#N)C1CC1	ZINC000590819766	359526844	/nfs/dbraw/zinc/52/68/44/359526844.db2.gz	UWAPRXDZWYUAPQ-GZMMTYOYSA-N	-1	0	277.328	0.649	20	30		CCEDRM
Cn1cc(C#N)c(=NC(=O)NC[C@@]2(O)CCCC2(C)C)[n-]1	ZINC000590819748	359527214	/nfs/dbraw/zinc/52/72/14/359527214.db2.gz	UHRFXRCXZNWEQA-AWEZNQCLSA-N	-1	0	291.355	0.776	20	30		CCEDRM
CC[C@H](NC(=O)N=c1[n-]n(C)cc1C#N)[C@H](O)C(C)C	ZINC000591338189	359579355	/nfs/dbraw/zinc/57/93/55/359579355.db2.gz	UPUZRFYGDHSWLE-WDEREUQCSA-N	-1	0	279.344	0.631	20	30		CCEDRM
N#Cc1cc(F)ccc1S(=O)(=O)NCC1(C(=O)[O-])CC1	ZINC000297116146	200089683	/nfs/dbraw/zinc/08/96/83/200089683.db2.gz	GDNMKUYPOQPGRN-UHFFFAOYSA-N	-1	0	298.295	0.840	20	30		CCEDRM
C[C@H](NC(=O)N=c1[n-]n(C)cc1C#N)c1cn[nH]c1	ZINC000611140976	363664337	/nfs/dbraw/zinc/66/43/37/363664337.db2.gz	QCZJPSLXMKSWTJ-ZETCQYMHSA-N	-1	0	259.273	0.319	20	30		CCEDRM
Cc1c(C#N)c(=NC(=O)c2ccnc(C3CC3)n2)[n-]n1C	ZINC000592646743	359908026	/nfs/dbraw/zinc/90/80/26/359908026.db2.gz	QCDVEYDUKGTRRI-UHFFFAOYSA-N	-1	0	282.307	0.942	20	30		CCEDRM
Cc1c(C#N)c(=NC(=O)[C@@H]2CCCOCC2)[n-]n1C	ZINC000592650085	359909403	/nfs/dbraw/zinc/90/94/03/359909403.db2.gz	MWFVDVQCKKASJC-SNVBAGLBSA-N	-1	0	262.313	0.777	20	30		CCEDRM
CC[C@H](C(=O)[O-])N(C)S(=O)(=O)CC1(C#N)CCC1	ZINC000593220385	360052405	/nfs/dbraw/zinc/05/24/05/360052405.db2.gz	MQUGBXKPPQYKKZ-SECBINFHSA-N	-1	0	274.342	0.805	20	30		CCEDRM
C[C@H](CC#N)N(C)S(=O)(=O)N1CCC[C@H]1CC(=O)[O-]	ZINC000593269808	360058567	/nfs/dbraw/zinc/05/85/67/360058567.db2.gz	OSFXCNRYBLSBCR-ZJUUUORDSA-N	-1	0	289.357	0.404	20	30		CCEDRM
N#CCCCS(=O)(=O)NC[C@H](CC1CC1)C(=O)[O-]	ZINC000593276366	360059656	/nfs/dbraw/zinc/05/96/56/360059656.db2.gz	ITRVUEDJOFMOJX-JTQLQIEISA-N	-1	0	274.342	0.710	20	30		CCEDRM
CCn1ccc(CC(=O)Nc2nc(C#N)c(C#N)[n-]2)n1	ZINC000593893919	360197037	/nfs/dbraw/zinc/19/70/37/360197037.db2.gz	OSJFVPYXHLYUEI-UHFFFAOYSA-N	-1	0	269.268	0.551	20	30		CCEDRM
CC(C)(CC#N)CS(=O)(=O)N[C@@]1(C(=O)[O-])CCOC1	ZINC000594689735	360360118	/nfs/dbraw/zinc/36/01/18/360360118.db2.gz	FFVWVYRVPWAUQH-NSHDSACASA-N	-1	0	290.341	0.089	20	30		CCEDRM
C=CCCSCCNC(=O)C(=O)NC[C@@H](C)C(=O)[O-]	ZINC000595276879	360474301	/nfs/dbraw/zinc/47/43/01/360474301.db2.gz	WRWGQYNKEOARPA-SECBINFHSA-N	-1	0	288.369	0.249	20	30		CCEDRM
N#Cc1ccc(CCNC(=O)NCCC(=O)[O-])cc1	ZINC000595263434	360465452	/nfs/dbraw/zinc/46/54/52/360465452.db2.gz	PEMMGGKDKQEJON-UHFFFAOYSA-N	-1	0	261.281	0.875	20	30		CCEDRM
CN(Cc1n[n-]c(=O)o1)Cc1nc(C#N)cs1	ZINC000595547786	360576115	/nfs/dbraw/zinc/57/61/15/360576115.db2.gz	WNFFFLUEGUYPKF-UHFFFAOYSA-N	-1	0	251.271	0.735	20	30		CCEDRM
CC(C)[C@](C)(C#N)NC(=O)CN(C)Cc1n[n-]c(=O)o1	ZINC000595552628	360577017	/nfs/dbraw/zinc/57/70/17/360577017.db2.gz	XYZILJMYZDIJRR-LBPRGKRZSA-N	-1	0	281.316	0.261	20	30		CCEDRM
CCc1n[n-]c(=NC(=O)N2CC(CC#N)C2)s1	ZINC000596634729	360934850	/nfs/dbraw/zinc/93/48/50/360934850.db2.gz	DAFRSCITZZRPLM-UHFFFAOYSA-N	-1	0	251.315	0.900	20	30		CCEDRM
C=CCOCCCNC(=O)N=c1ccc(C(=O)OC)n[n-]1	ZINC000596889977	360973342	/nfs/dbraw/zinc/97/33/42/360973342.db2.gz	LHRJONBNHIUEOI-UHFFFAOYSA-N	-1	0	294.311	0.399	20	30		CCEDRM
CCOC(=O)c1cc(=NC(=O)[C@H](C)CC#N)[nH][n-]1	ZINC000597480166	361109043	/nfs/dbraw/zinc/10/90/43/361109043.db2.gz	MWIWEOKXXYEDCK-SSDOTTSWSA-N	-1	0	250.258	0.497	20	30		CCEDRM
Cc1nnc(NCCCc2nc(=O)[n-][nH]2)c(C#N)c1C	ZINC000301447488	201012134	/nfs/dbraw/zinc/01/21/34/201012134.db2.gz	RTVNGRLFCXWHRI-UHFFFAOYSA-N	-1	0	273.300	0.421	20	30		CCEDRM
Cn1cc(C#N)c(=NC(=O)N2CCC[C@@H](OC(F)F)C2)[n-]1	ZINC000611596531	363748813	/nfs/dbraw/zinc/74/88/13/363748813.db2.gz	WKEHXHRXTDZBAK-SECBINFHSA-N	-1	0	299.281	0.949	20	30		CCEDRM
C=CCn1cc(C(=O)N2CCCCC[C@H]2C(=O)[O-])nn1	ZINC000621569155	366796239	/nfs/dbraw/zinc/79/62/39/366796239.db2.gz	FBXRADOQLHBTDW-NSHDSACASA-N	-1	0	278.312	0.934	20	30		CCEDRM
Cc1oc(C#N)cc1C(=O)N(C)Cc1n[n-]c(=O)o1	ZINC000598747027	361508168	/nfs/dbraw/zinc/50/81/68/361508168.db2.gz	XBBVNNUOSSXHAG-UHFFFAOYSA-N	-1	0	262.225	0.821	20	30		CCEDRM
Cc1c(C#N)c(=NC(=O)c2nccnc2C)[n-]n1C	ZINC000598846956	361526099	/nfs/dbraw/zinc/52/60/99/361526099.db2.gz	XUNINFXUQWJXPV-UHFFFAOYSA-N	-1	0	256.269	0.373	20	30		CCEDRM
CCO[C@H]1COCC[C@H]1NC(=O)N=c1[n-]n(C)cc1C#N	ZINC000612752014	364007760	/nfs/dbraw/zinc/00/77/60/364007760.db2.gz	HRYHGACBLQMDJA-MNOVXSKESA-N	-1	0	293.327	0.029	20	30		CCEDRM
N#Cc1ccccc1S(=O)(=O)N(CCO)CCC(=O)[O-]	ZINC000614375974	364588068	/nfs/dbraw/zinc/58/80/68/364588068.db2.gz	OFNQCXGGIPGMTA-UHFFFAOYSA-N	-1	0	298.320	0.016	20	30		CCEDRM
C=C[C@](C)(O)C(=O)N1CCC[C@H](c2n[nH]c(=O)[n-]2)C1	ZINC000614518676	364646581	/nfs/dbraw/zinc/64/65/81/364646581.db2.gz	KELMNCDYJLQCPE-UFBFGSQYSA-N	-1	0	266.301	0.153	20	30		CCEDRM
Cc1cnccc1CNC(=O)N=c1[n-]n(C)cc1C#N	ZINC000614688553	364698716	/nfs/dbraw/zinc/69/87/16/364698716.db2.gz	DISZXJBFSZJWMV-UHFFFAOYSA-N	-1	0	270.296	0.739	20	30		CCEDRM
Cn1cc(C#N)c(=NC(=O)N2CC[C@@](F)(C#N)C2)[n-]1	ZINC000615538496	364996289	/nfs/dbraw/zinc/99/62/89/364996289.db2.gz	JJHWAZOGISPXIL-LLVKDONJSA-N	-1	0	262.248	0.183	20	30		CCEDRM
C=CCCS(=O)(=O)N(CC(=O)[O-])CC(F)(F)F	ZINC000275376501	193013026	/nfs/dbraw/zinc/01/30/26/193013026.db2.gz	WXRKAPUMYHRHTC-UHFFFAOYSA-N	-1	0	275.248	0.841	20	30		CCEDRM
C=C(C)CS(=O)(=O)N[C@H](C[C@@H](OC)C1CC1)C(=O)[O-]	ZINC000656166219	412756775	/nfs/dbraw/zinc/75/67/75/412756775.db2.gz	FTOHEFQSFDPMEY-GHMZBOCLSA-N	-1	0	291.369	0.750	20	30		CCEDRM
C=CCCCCCNS(=O)(=O)N(C)CCC(=O)[O-]	ZINC000656181538	412758220	/nfs/dbraw/zinc/75/82/20/412758220.db2.gz	YQUSHLBYHWNVKI-UHFFFAOYSA-N	-1	0	278.374	0.974	20	30		CCEDRM
C=C(C)CS(=O)(=O)N[C@@H]1CCO[C@@H]1c1nc(C)no1	ZINC000625661138	368288463	/nfs/dbraw/zinc/28/84/63/368288463.db2.gz	OOGHJPBCHWQYSV-ZJUUUORDSA-N	-1	0	287.341	0.704	20	30		CCEDRM
C=C(CC)CNC(=O)C(=O)N1CC[C@@H](C(=O)[O-])[C@H](C)C1	ZINC000627276863	368941252	/nfs/dbraw/zinc/94/12/52/368941252.db2.gz	QUPIKXJGVGUYRJ-GHMZBOCLSA-N	-1	0	282.340	0.638	20	30		CCEDRM
C=CC[C@@H]1CCN(C(=O)C(=O)NC[C@@H](C)C(=O)[O-])C1	ZINC000627279411	368942300	/nfs/dbraw/zinc/94/23/00/368942300.db2.gz	MPGDIVOMORNEIW-NXEZZACHSA-N	-1	0	268.313	0.248	20	30		CCEDRM
C=CCOC[C@H](NC(=O)[C@H]1CCc2cccnc21)C(=O)[O-]	ZINC000630186851	369995814	/nfs/dbraw/zinc/99/58/14/369995814.db2.gz	CMAJZEXBTZMCHT-RYUDHWBXSA-N	-1	0	290.319	0.883	20	30		CCEDRM
C=CCOC[C@H](NC(=O)C1CCOCC1)C(=O)[O-]	ZINC000630185801	369996011	/nfs/dbraw/zinc/99/60/11/369996011.db2.gz	HCQYFACZHFYZDB-JTQLQIEISA-N	-1	0	257.286	0.185	20	30		CCEDRM
C=C(C)C[C@@H](NC(=O)CN1CCCCCC1=O)C(=O)[O-]	ZINC000630318377	370045987	/nfs/dbraw/zinc/04/59/87/370045987.db2.gz	ZNGPRMKMJBAAHO-LLVKDONJSA-N	-1	0	282.340	0.925	20	30		CCEDRM
C=C(C)[C@@H]1OCC[C@H]1CNC(=O)[C@H]1C[C@@H](C)[C@H](C(=O)[O-])O1	ZINC000630303462	370037381	/nfs/dbraw/zinc/03/73/81/370037381.db2.gz	YEHNVTITSXDGKJ-RXGFPQBGSA-N	-1	0	297.351	0.962	20	30		CCEDRM
C=C(C)C[C@H](NS(=O)(=O)[C@@H]1CCOC1)C(=O)[O-]	ZINC000630438379	370116870	/nfs/dbraw/zinc/11/68/70/370116870.db2.gz	PBCPOPMWNCLRCP-BDAKNGLRSA-N	-1	0	263.315	0.114	20	30		CCEDRM
C=C(C)C[C@H](NC(=O)NC[C@H]1CCOC1)C(=O)[O-]	ZINC000630468287	370127921	/nfs/dbraw/zinc/12/79/21/370127921.db2.gz	GERBAZFSTGDCIY-ZJUUUORDSA-N	-1	0	256.302	0.742	20	30		CCEDRM
C=CC(C)(C)CCNC(=O)N[C@H](COC)C(=O)[O-]	ZINC000630483770	370131371	/nfs/dbraw/zinc/13/13/71/370131371.db2.gz	SKBSTXZJIIZHSN-SECBINFHSA-N	-1	0	258.318	0.988	20	30		CCEDRM
C=C[C@H](CO)N=c1nn[n-]n1Cc1ccc(OC)cc1	ZINC000631381929	370508087	/nfs/dbraw/zinc/50/80/87/370508087.db2.gz	QCHUUILFBHWJBC-LLVKDONJSA-N	-1	0	275.312	0.111	20	30		CCEDRM
C=C[C@@H]1OCC[C@H]1NC(=O)C[C@@]1(C(=O)[O-])CCOC1	ZINC000656484133	412811611	/nfs/dbraw/zinc/81/16/11/412811611.db2.gz	LHGFPYAPNBAYDC-NRUUGDAUSA-N	-1	0	269.297	0.328	20	30		CCEDRM
C=CCOCCCNC(=O)N[C@@H](C(=O)[O-])C(C)C	ZINC000656595153	412833466	/nfs/dbraw/zinc/83/34/66/412833466.db2.gz	CWQMMHIBFHPULN-SNVBAGLBSA-N	-1	0	258.318	0.988	20	30		CCEDRM
C#CCOc1ccc(C(=O)N[C@@]2(C(=O)[O-])CCOC2)cc1	ZINC000262149537	190049383	/nfs/dbraw/zinc/04/93/83/190049383.db2.gz	TUGVYGPIHMPXKU-HNNXBMFYSA-N	-1	0	289.287	0.672	20	30		CCEDRM
N#Cc1ccc(S(=O)(=O)N2CCC(C(=O)[O-])CC2)o1	ZINC000262247193	190050958	/nfs/dbraw/zinc/05/09/58/190050958.db2.gz	BPYKVUODWNDQRX-UHFFFAOYSA-N	-1	0	284.293	0.637	20	30		CCEDRM
C#C[C@@H](NC(=O)CSc1n[nH]c(=O)[n-]1)C(C)(C)C	ZINC000288002860	388857617	/nfs/dbraw/zinc/85/76/17/388857617.db2.gz	AYQSUTKBBBCBAY-SSDOTTSWSA-N	-1	0	268.342	0.354	20	30		CCEDRM
C#CCO[N-]C(=O)C1=NO[C@H](CNC(=O)OC(C)(C)C)C1	ZINC000291300855	388919980	/nfs/dbraw/zinc/91/99/80/388919980.db2.gz	QOEHLXLBBAQBGJ-VIFPVBQESA-N	-1	0	297.311	0.337	20	30		CCEDRM
C=CCN1CC[C@H](N(C)C(=O)N=c2[n-]nc(C)s2)C1=O	ZINC000337240740	389057632	/nfs/dbraw/zinc/05/76/32/389057632.db2.gz	FLXCIJRERKTQBE-VIFPVBQESA-N	-1	0	295.368	0.519	20	30		CCEDRM
O=C1CCC(=O)N1CC/N=C/c1cc([N+](=O)[O-])ccc1[O-]	ZINC000113771317	389130211	/nfs/dbraw/zinc/13/02/11/389130211.db2.gz	TUWRIGLZJMVYHM-RIYZIHGNSA-N	-1	0	291.263	0.868	20	30		CCEDRM
C=C(C)[C@H](CC(=O)NC1(c2nnn[n-]2)CC1)OCC	ZINC000357044816	389130225	/nfs/dbraw/zinc/13/02/25/389130225.db2.gz	IUUDDNILYHTVSA-VIFPVBQESA-N	-1	0	265.317	0.676	20	30		CCEDRM
C=C(C)[C@H](CC(=O)NC(C)(C)c1nnn[n-]1)OCC	ZINC000339363217	389131159	/nfs/dbraw/zinc/13/11/59/389131159.db2.gz	QVKIZMHNFMNIIK-VIFPVBQESA-N	-1	0	267.333	0.922	20	30		CCEDRM
Cn1cccc(N=C([O-])[C@@H]2CCc3nn[nH]c3C2)c1=O	ZINC000328788116	389137892	/nfs/dbraw/zinc/13/78/92/389137892.db2.gz	PEQIHRVUSDMHJN-MRVPVSSYSA-N	-1	0	273.296	0.897	20	30		CCEDRM
O=C(N=c1cn[n-]s1)N1CCn2cncc2C1	ZINC000329726014	389192972	/nfs/dbraw/zinc/19/29/72/389192972.db2.gz	CBHOCOCVRKKFJS-UHFFFAOYSA-N	-1	0	250.287	0.796	20	30		CCEDRM
N#CCCN(CC1CC1)C(=O)CSc1n[nH]c(=O)[n-]1	ZINC000361904870	389225876	/nfs/dbraw/zinc/22/58/76/389225876.db2.gz	GFZKXDIMJKBRQP-UHFFFAOYSA-N	-1	0	281.341	0.755	20	30		CCEDRM
Cc1[n-][nH]c(=NC(=O)[C@@H]2OC[C@@H]3CCC[C@@H]32)c1C#N	ZINC000365694356	389285386	/nfs/dbraw/zinc/28/53/86/389285386.db2.gz	AVVKHJIHQDDICN-ATZCPNFKSA-N	-1	0	260.297	0.765	20	30		CCEDRM
CN(C[C@H]1CCOC1)C([O-])=Nc1cccn(C)c1=O	ZINC000331206903	389300786	/nfs/dbraw/zinc/30/07/86/389300786.db2.gz	YNQAIOHVMQUINQ-SNVBAGLBSA-N	-1	0	265.313	0.899	20	30		CCEDRM
Cc1cc(C(=O)[N-]S(=O)(=O)C2(C)CC2)ncc1C#N	ZINC000408493340	389369030	/nfs/dbraw/zinc/36/90/30/389369030.db2.gz	BQILRHUGVQBKIK-UHFFFAOYSA-N	-1	0	279.321	0.874	20	30		CCEDRM
C[C@H](CCCNS(=O)(=O)c1ccc(C#N)nc1)C(=O)[O-]	ZINC000159672227	389371894	/nfs/dbraw/zinc/37/18/94/389371894.db2.gz	RYIWOYHCAQGWNB-SECBINFHSA-N	-1	0	297.336	0.732	20	30		CCEDRM
C=CCn1c(SCc2nc(CCOC)no2)n[n-]c1=N	ZINC000349010935	389400999	/nfs/dbraw/zinc/40/09/99/389400999.db2.gz	UKBYPWUUSFPNKG-UHFFFAOYSA-N	-1	0	296.356	0.741	20	30		CCEDRM
Cc1nc(=NC(=O)NCc2ccc(C#N)s2)[n-]n1C	ZINC000421115449	389353649	/nfs/dbraw/zinc/35/36/49/389353649.db2.gz	QHZVAYMFRQDOQS-UHFFFAOYSA-N	-1	0	276.325	0.800	20	30		CCEDRM
C=CCCn1cc(C(=O)N[C@@H](CCC)c2nnn[n-]2)nn1	ZINC000424703026	389629834	/nfs/dbraw/zinc/62/98/34/389629834.db2.gz	GKYISWVIWICTFP-VIFPVBQESA-N	-1	0	290.331	0.639	20	30		CCEDRM
COC(=O)CNS(=O)(=O)c1ccc(F)cc1C#N	ZINC000178504746	389608232	/nfs/dbraw/zinc/60/82/32/389608232.db2.gz	XXCJVKJZXHTYBL-UHFFFAOYSA-N	-1	0	272.257	0.149	20	30		CCEDRM
CN(CC(C)(C)C#N)C(=O)CSc1n[nH]c(=O)[n-]1	ZINC000353295227	389849213	/nfs/dbraw/zinc/84/92/13/389849213.db2.gz	LSYKNJKUWCJSIN-UHFFFAOYSA-N	-1	0	269.330	0.611	20	30		CCEDRM
CC(=O)N[C@H](C)C(=O)N=c1[n-]n(C(C)(C)C)cc1C#N	ZINC000488700442	390095291	/nfs/dbraw/zinc/09/52/91/390095291.db2.gz	JTYWFGXKCNHCAH-MRVPVSSYSA-N	-1	0	277.328	0.395	20	30		CCEDRM
N#Cc1c[nH]c(C(=O)N2CCC[C@@H](c3nnn[n-]3)C2)c1	ZINC000539324030	390204394	/nfs/dbraw/zinc/20/43/94/390204394.db2.gz	FNBGQRIQQFYNDV-SECBINFHSA-N	-1	0	271.284	0.419	20	30		CCEDRM
CC#CC[C@H](NS(=O)(=O)Cc1cc(C)no1)C(=O)[O-]	ZINC000543786292	390293747	/nfs/dbraw/zinc/29/37/47/390293747.db2.gz	CLWBVJOZVXCMCQ-JTQLQIEISA-N	-1	0	286.309	0.269	20	30		CCEDRM
C=CCCCS(=O)(=O)N1CCOC[C@H]1CC(=O)[O-]	ZINC000644629308	390269771	/nfs/dbraw/zinc/26/97/71/390269771.db2.gz	WBLZPKDXIIOMKN-SNVBAGLBSA-N	-1	0	277.342	0.458	20	30		CCEDRM
C[C@H](CC#N)N(C)S(=O)(=O)N[C@@H]1C=C[C@@H](C(=O)[O-])C1	ZINC000583325705	390283939	/nfs/dbraw/zinc/28/39/39/390283939.db2.gz	WCXBTCYDKJTLQD-OPRDCNLKSA-N	-1	0	287.341	0.084	20	30		CCEDRM
C=CCn1cc(C(=O)N=c2ccc(OC(C)C)n[n-]2)nn1	ZINC000648363751	390362614	/nfs/dbraw/zinc/36/26/14/390362614.db2.gz	ANIPRAGPJGHWMC-UHFFFAOYSA-N	-1	0	288.311	0.716	20	30		CCEDRM
CC#CC[C@@H](CO)N=c1nc([C@H](C)OC)[n-]s1	ZINC000645407330	390422323	/nfs/dbraw/zinc/42/23/23/390422323.db2.gz	SBZRDJOYJGOFRV-IUCAKERBSA-N	-1	0	255.343	0.854	20	30		CCEDRM
C[C@H](CC#N)N(C)S(=O)(=O)N(C)CCCC(=O)[O-]	ZINC000565054542	390499537	/nfs/dbraw/zinc/49/95/37/390499537.db2.gz	LZYPBIRKTVDOFC-SECBINFHSA-N	-1	0	277.346	0.262	20	30		CCEDRM
C=C(C)CS(=O)(=O)N(CCOC)[C@H](C)C(=O)[O-]	ZINC000565053500	390499693	/nfs/dbraw/zinc/49/96/93/390499693.db2.gz	CNKDTPPYNYQLPT-SECBINFHSA-N	-1	0	265.331	0.314	20	30		CCEDRM
C=C(C)CS(=O)(=O)N[C@@H](C[C@H]1CCOC1)C(=O)[O-]	ZINC000565058085	390499705	/nfs/dbraw/zinc/49/97/05/390499705.db2.gz	RWTSVJLBZJMLAU-ZJUUUORDSA-N	-1	0	277.342	0.362	20	30		CCEDRM
C=CC[C@H](NS(=O)(=O)[C@H]1CCO[C@H](C)C1)C(=O)[O-]	ZINC000646041043	390579954	/nfs/dbraw/zinc/57/99/54/390579954.db2.gz	KDWREPGVNCDZDI-UTLUCORTSA-N	-1	0	277.342	0.503	20	30		CCEDRM
C=CCCCS(=O)(=O)N1C[C@@H](OC)C[C@@H]1CC(=O)[O-]	ZINC000646049174	390585484	/nfs/dbraw/zinc/58/54/84/390585484.db2.gz	ZACDPTCVKCLPKF-MNOVXSKESA-N	-1	0	291.369	0.846	20	30		CCEDRM
C=CCn1cc(C(=O)NCC2(C(=O)[O-])CCC2)nn1	ZINC000649245631	390535503	/nfs/dbraw/zinc/53/55/03/390535503.db2.gz	NLMMKMCFCBYOAO-UHFFFAOYSA-N	-1	0	264.285	0.449	20	30		CCEDRM
C=CCn1cc(C(=O)N[C@H](C)CCC(=O)[O-])nn1	ZINC000649247234	390536643	/nfs/dbraw/zinc/53/66/43/390536643.db2.gz	DCVLDCILGVLTIN-MRVPVSSYSA-N	-1	0	252.274	0.447	20	30		CCEDRM
C=CCn1cc(C(=O)NC2(CC(=O)[O-])CCCC2)nn1	ZINC000649250236	390537426	/nfs/dbraw/zinc/53/74/26/390537426.db2.gz	VOCZRCGPFPQELV-UHFFFAOYSA-N	-1	0	278.312	0.981	20	30		CCEDRM
C=CCOCCNC(=O)N1CC[C@@H](C)[C@@H](C(=O)[O-])C1	ZINC000646154741	390619834	/nfs/dbraw/zinc/61/98/34/390619834.db2.gz	CRLQTZARADEZIF-MNOVXSKESA-N	-1	0	270.329	0.941	20	30		CCEDRM
C=C(C)CS(=O)(=O)N[C@@]1(C(=O)[O-])CCSC1	ZINC000569220137	390716003	/nfs/dbraw/zinc/71/60/03/390716003.db2.gz	NNMXAPFGNVPZIV-VIFPVBQESA-N	-1	0	265.356	0.442	20	30		CCEDRM
C[C@H]1CCN(S(=O)(=O)N(C)CCC#N)C[C@H]1C(=O)[O-]	ZINC000570397642	390718445	/nfs/dbraw/zinc/71/84/45/390718445.db2.gz	PJZPCEDULXTYNM-VHSXEESVSA-N	-1	0	289.357	0.119	20	30		CCEDRM
C[C@@H](C#N)CN(C)S(=O)(=O)N1CCC[C@@]1(C)C(=O)[O-]	ZINC000567052589	390668493	/nfs/dbraw/zinc/66/84/93/390668493.db2.gz	DEFPPLXQLDWJBM-ONGXEEELSA-N	-1	0	289.357	0.262	20	30		CCEDRM
CCc1ncncc1C(=O)N=c1[nH][n-]c(C)c1C#N	ZINC000567419427	390698475	/nfs/dbraw/zinc/69/84/75/390698475.db2.gz	JPCQARCITWRAOH-UHFFFAOYSA-N	-1	0	256.269	0.616	20	30		CCEDRM
N#Cc1ccc(CC(=O)N2CCC[C@H](c3nnn[n-]3)C2)cn1	ZINC000528882160	390782448	/nfs/dbraw/zinc/78/24/48/390782448.db2.gz	KPRMIFDXNVMLMR-NSHDSACASA-N	-1	0	297.322	0.415	20	30		CCEDRM
CCC(C)(C)C(=O)N1CC(n2cc(C#N)c(=O)[n-]c2=O)C1	ZINC000530270614	390875884	/nfs/dbraw/zinc/87/58/84/390875884.db2.gz	PKUHBHXZXGUOQQ-UHFFFAOYSA-N	-1	0	290.323	0.640	20	30		CCEDRM
C=CCN(CC=C)C(=O)CN(CC(=O)[O-])CC1CC1	ZINC000036886118	397380072	/nfs/dbraw/zinc/38/00/72/397380072.db2.gz	DTRXGHJVVNIIGM-UHFFFAOYSA-N	-1	0	266.341	0.984	20	30		CCEDRM
CO[C@@H](C(=O)N=c1[nH][n-]c(C)c1C#N)c1cnn(C)c1	ZINC000357236192	144071718	/nfs/dbraw/zinc/07/17/18/144071718.db2.gz	YIYDIWKYUHBZBT-SNVBAGLBSA-N	-1	0	274.284	0.071	20	30		CCEDRM
Cc1[n-][nH]c(=NC(=O)c2ccc3cncn3c2)c1C#N	ZINC000357244471	144073387	/nfs/dbraw/zinc/07/33/87/144073387.db2.gz	OJOLMOPBULEUAJ-UHFFFAOYSA-N	-1	0	266.264	0.912	20	30		CCEDRM
N#Cc1sccc1S(=O)(=O)N1CCC[C@@H]1C(=O)[O-]	ZINC000593266827	397584910	/nfs/dbraw/zinc/58/49/10/397584910.db2.gz	RLYVOEQPCKIFGN-SSDOTTSWSA-N	-1	0	286.334	0.857	20	30		CCEDRM
C=CCOC[C@@H](NC(=O)N[C@@H]1C[C@H]2CC[C@@H]1O2)C(=O)[O-]	ZINC000649531518	397629057	/nfs/dbraw/zinc/62/90/57/397629057.db2.gz	JJWXDSZHXYNRGH-DBIOUOCHSA-N	-1	0	284.312	0.261	20	30		CCEDRM
COc1cc(C#N)ccc1S(=O)(=O)N1CC(C(=O)[O-])C1	ZINC000548552776	286047573	/nfs/dbraw/zinc/04/75/73/286047573.db2.gz	CKABYPNPRUTRPY-UHFFFAOYSA-N	-1	0	296.304	0.272	20	30		CCEDRM
C[C@H](Oc1ccccc1C#N)C(=O)NCc1nnn[n-]1	ZINC000044928496	411631589	/nfs/dbraw/zinc/63/15/89/411631589.db2.gz	QCRWQDWCUQESMD-QMMMGPOBSA-N	-1	0	272.268	0.155	20	30		CCEDRM
C#CCNS(=O)(=O)c1ccc(/C=C/C(=O)[O-])cc1	ZINC000021949052	171338736	/nfs/dbraw/zinc/33/87/36/171338736.db2.gz	ZJMUUHTVTPYZSP-VMPITWQZSA-N	-1	0	265.290	0.696	20	30		CCEDRM
C=CCOC[C@@H](NC(=O)N[C@@H](C)C(C)C)C(=O)[O-]	ZINC000654804998	412440652	/nfs/dbraw/zinc/44/06/52/412440652.db2.gz	YLPMGWSQCRYLNS-VHSXEESVSA-N	-1	0	258.318	0.986	20	30		CCEDRM
C=CCOCCNC(=O)N(CC(=O)[O-])C1CCC1	ZINC000654813861	412440801	/nfs/dbraw/zinc/44/08/01/412440801.db2.gz	LKAGHTGBSZEJFA-UHFFFAOYSA-N	-1	0	256.302	0.838	20	30		CCEDRM
C=CCOCCNC(=O)N(C)[C@@H](COC(C)C)C(=O)[O-]	ZINC000654814004	412440956	/nfs/dbraw/zinc/44/09/56/412440956.db2.gz	OPHVDZDUCNBAAZ-NSHDSACASA-N	-1	0	288.344	0.709	20	30		CCEDRM
C=CCCNC(=O)C(=O)N1CCC(C(=O)[O-])CC1	ZINC000659662581	413760597	/nfs/dbraw/zinc/76/05/97/413760597.db2.gz	GZRAQODGODNTOA-UHFFFAOYSA-N	-1	0	254.286	0.002	20	30		CCEDRM
C=C[C@H]1CCCCN1C(=O)C(=O)NCC1(C(=O)[O-])CCC1	ZINC000659667719	413762461	/nfs/dbraw/zinc/76/24/61/413762461.db2.gz	NASBCIPJBOFIOO-NSHDSACASA-N	-1	0	294.351	0.925	20	30		CCEDRM
C=CCCOCC(=O)N1C[C@@H]2COC[C@]2(C(=O)[O-])C1	ZINC000659779579	413870931	/nfs/dbraw/zinc/87/09/31/413870931.db2.gz	PYFWIHYBVLTKEV-ZWNOBZJWSA-N	-1	0	269.297	0.139	20	30		CCEDRM
N#Cc1ccc(OCC(=O)NCCCC(=O)[O-])cc1	ZINC000037409950	173186077	/nfs/dbraw/zinc/18/60/77/173186077.db2.gz	NHBDBXQOAOYZQQ-UHFFFAOYSA-N	-1	0	262.265	0.918	20	30		CCEDRM
C[C@H](CC(=O)[O-])NS(=O)(=O)c1ccc(C#N)cc1	ZINC000037413180	173189909	/nfs/dbraw/zinc/18/99/09/173189909.db2.gz	BXAPKYDLBOWQDS-MRVPVSSYSA-N	-1	0	268.294	0.700	20	30		CCEDRM
C=CCn1cc(CNC(=O)[C@@H](C(=O)[O-])C2CCCC2)nn1	ZINC000663058446	414968192	/nfs/dbraw/zinc/96/81/92/414968192.db2.gz	YTZLGKHVFUIPAU-LBPRGKRZSA-N	-1	0	292.339	0.971	20	30		CCEDRM
C=CCCS(=O)(=O)N1CC2(CCOCC2)[C@@H]1C(=O)[O-]	ZINC000663289079	415038766	/nfs/dbraw/zinc/03/87/66/415038766.db2.gz	QGNWIDGNWRLAAI-JTQLQIEISA-N	-1	0	289.353	0.458	20	30		CCEDRM
N#Cc1cc(S(=O)(=O)N2CCC[C@@H]2C(=O)[O-])ccc1F	ZINC000071238248	176093795	/nfs/dbraw/zinc/09/37/95/176093795.db2.gz	LKYNZEAMMRQXKG-LLVKDONJSA-N	-1	0	298.295	0.935	20	30		CCEDRM
O=C(NCC#CCO)c1cc([O-])ccc1[N+](=O)[O-]	ZINC000352164830	228190787	/nfs/dbraw/zinc/19/07/87/228190787.db2.gz	XVIDPCINQGSNFX-UHFFFAOYSA-N	-1	0	250.210	0.026	20	30		CCEDRM
C=C(C)COCCNC(=O)N1CCO[C@@H](C(=O)[O-])C1	ZINC000164154939	544720063	/nfs/dbraw/zinc/72/00/63/544720063.db2.gz	NBCLFMBKGZJYFB-SNVBAGLBSA-N	-1	0	272.301	0.074	20	30		CCEDRM
C=CC[C@H](C)NS(=O)(=O)N1CCC[C@@H](C(=O)[O-])C1	ZINC000231836626	544860364	/nfs/dbraw/zinc/86/03/64/544860364.db2.gz	HVQDSAMZEOFFFD-VHSXEESVSA-N	-1	0	276.358	0.582	20	30		CCEDRM
CCN(C[C@@H](C)C#N)C(=O)CSc1n[nH]c(=O)[n-]1	ZINC000187015167	260025909	/nfs/dbraw/zinc/02/59/09/260025909.db2.gz	CJKAQMKDMTUUEA-ZETCQYMHSA-N	-1	0	269.330	0.611	20	30		CCEDRM
C[C@H](CC#N)N(C)S(=O)(=O)N1CCC[C@@H](C(=O)[O-])C1	ZINC000220926607	260150374	/nfs/dbraw/zinc/15/03/74/260150374.db2.gz	JNHYDKQYFYYHCQ-NXEZZACHSA-N	-1	0	289.357	0.262	20	30		CCEDRM
COC[C@](C)(C#N)NC(=O)c1ccc([O-])c([N+](=O)[O-])c1	ZINC000273396404	263016522	/nfs/dbraw/zinc/01/65/22/263016522.db2.gz	HLDQABDWQSSMIH-LBPRGKRZSA-N	-1	0	279.252	0.959	20	30		CCEDRM
C[C@H](CC#N)NC(=O)C(C)(C)[N-]C(=O)C(F)(F)F	ZINC000277505083	263041555	/nfs/dbraw/zinc/04/15/55/263041555.db2.gz	MZVYQGNNJNLIDZ-ZCFIWIBFSA-N	-1	0	265.235	0.862	20	30		CCEDRM
CC[C@@](C)(CNS(=O)(=O)CC1(C#N)CC1)C(=O)[O-]	ZINC000575233743	335085867	/nfs/dbraw/zinc/08/58/67/335085867.db2.gz	IZERVFIPCGRXLS-JTQLQIEISA-N	-1	0	274.342	0.710	20	30		CCEDRM
CCSc1n[n-]c(=NC(=O)NCCCO)s1	ZINC000330834638	264051240	/nfs/dbraw/zinc/05/12/40/264051240.db2.gz	TZUIKCIUUWZZCF-UHFFFAOYSA-N	-1	0	262.360	0.780	20	30		CCEDRM
COCCO[C@@H]1CCN(C([O-])=Nc2cccn(C)c2=O)C1	ZINC000331296694	264197686	/nfs/dbraw/zinc/19/76/86/264197686.db2.gz	NZMIWOIAERDRKS-LLVKDONJSA-N	-1	0	295.339	0.668	20	30		CCEDRM
C=C(C)[C@@H]1OCC[C@H]1CNC(=O)N[C@@H](C)C(=O)[O-]	ZINC000520352698	265777401	/nfs/dbraw/zinc/77/74/01/265777401.db2.gz	XMOICYNDNWZHIC-GUBZILKMSA-N	-1	0	256.302	0.740	20	30		CCEDRM
C=CCN(C)C(=O)C(=O)N=c1[n-]n(C(C)C)cc1C#N	ZINC000527345742	269558007	/nfs/dbraw/zinc/55/80/07/269558007.db2.gz	FECRQAUVNMVAGW-UHFFFAOYSA-N	-1	0	275.312	0.340	20	30		CCEDRM
C[C@H]1COCC[C@H]1C(=O)Nc1nc(C#N)c(C#N)[n-]1	ZINC000444722884	278460552	/nfs/dbraw/zinc/46/05/52/278460552.db2.gz	SZJNGQBISDZHKV-JGVFFNPUSA-N	-1	0	259.269	0.764	20	30		CCEDRM
C[C@@H]1CN(S(=O)(=O)[N-]c2nn(C)cc2C#N)[C@@H](C)CO1	ZINC000340947235	297059680	/nfs/dbraw/zinc/05/96/80/297059680.db2.gz	GMSYILWJGDUNHP-DTWKUNHWSA-N	-1	0	299.356	0.058	20	30		CCEDRM
C=CCOCCNC(=O)N[C@H](C(=O)[O-])[C@@H](C)CC	ZINC000385433192	545085499	/nfs/dbraw/zinc/08/54/99/545085499.db2.gz	NZNNMTZJICDQOE-UWVGGRQHSA-N	-1	0	258.318	0.988	20	30		CCEDRM
C=CCOCCNC(=O)N[C@H](CC(F)(F)F)C(=O)[O-]	ZINC000388673289	545086342	/nfs/dbraw/zinc/08/63/42/545086342.db2.gz	BXRZGHUYVIKEPY-SSDOTTSWSA-N	-1	0	284.234	0.894	20	30		CCEDRM
CCN(C[C@H](C)C#N)S(=O)(=O)NCC1(C(=O)[O-])CC1	ZINC000563227097	327982750	/nfs/dbraw/zinc/98/27/50/327982750.db2.gz	VUWAHASABURGAG-SECBINFHSA-N	-1	0	289.357	0.167	20	30		CCEDRM
C[C@@H](C#N)CN(C)S(=O)(=O)N[C@@H](CC1CC1)C(=O)[O-]	ZINC000563224457	327981468	/nfs/dbraw/zinc/98/14/68/327981468.db2.gz	AOWXHJZXOHMRGL-WPRPVWTQSA-N	-1	0	289.357	0.166	20	30		CCEDRM
CCOC(=O)c1[nH]c(=O)n(-c2cccc(CC#N)c2)c1[O-]	ZINC000414365272	328155582	/nfs/dbraw/zinc/15/55/82/328155582.db2.gz	OEVRULMHYHQAQK-LLVKDONJSA-N	-1	0	287.275	0.741	20	30		CCEDRM
C=CCOC[C@@H](NC(=O)NCC1(SC)CC1)C(=O)[O-]	ZINC000583484609	328300138	/nfs/dbraw/zinc/30/01/38/328300138.db2.gz	RHDZHSAJIRDFLN-SECBINFHSA-N	-1	0	288.369	0.837	20	30		CCEDRM
C#CCO[N-]C(=O)[C@@H](F)C1CN(C(=O)OC(C)(C)C)C1	ZINC000291374987	328534146	/nfs/dbraw/zinc/53/41/46/328534146.db2.gz	ZQEHSVFXBMAUHK-JTQLQIEISA-N	-1	0	286.303	0.872	20	30		CCEDRM
N#C[C@H]1CN(C(=O)c2cc([O-])ccc2[N+](=O)[O-])CCO1	ZINC000217315965	327158691	/nfs/dbraw/zinc/15/86/91/327158691.db2.gz	SBAIQBJUPHUSOJ-VIFPVBQESA-N	-1	0	277.236	0.665	20	30		CCEDRM
CC(C)Oc1ccc(=NC(=O)NC[C@@H](C)C#N)[n-]n1	ZINC000579427097	327366784	/nfs/dbraw/zinc/36/67/84/327366784.db2.gz	PJTPGJQCLKZEGD-VIFPVBQESA-N	-1	0	263.301	0.967	20	30		CCEDRM
C=CC[C@@H](CO)NC(=O)c1ccc(NS(C)(=O)=O)cc1	ZINC000321259679	329335191	/nfs/dbraw/zinc/33/51/91/329335191.db2.gz	SMSMVRGSAHYXPK-LBPRGKRZSA-N	-1	0	298.364	0.725	20	30		CCEDRM
C[C@]1(C(=O)[O-])CCCCN1S(=O)(=O)CC1(C#N)CC1	ZINC000584448986	329484165	/nfs/dbraw/zinc/48/41/65/329484165.db2.gz	ONQKTTZPQNXUBZ-LLVKDONJSA-N	-1	0	286.353	0.949	20	30		CCEDRM
C=CCCn1cc(C(=O)N[C@H](C(=O)[O-])C2CC2)nn1	ZINC000425243099	329649367	/nfs/dbraw/zinc/64/93/67/329649367.db2.gz	DUDBYAOWUJJYRD-JTQLQIEISA-N	-1	0	264.285	0.447	20	30		CCEDRM
C=CCCCNC(=O)C(=O)N1CC[C@](C)(C(=O)[O-])C1	ZINC000420572567	329779526	/nfs/dbraw/zinc/77/95/26/329779526.db2.gz	YSHKYJAGPRDTOC-ZDUSSCGKSA-N	-1	0	268.313	0.392	20	30		CCEDRM
C[C@@H](CN(C)S(=O)(=O)CCCCC#N)C(=O)[O-]	ZINC000262389282	330012283	/nfs/dbraw/zinc/01/22/83/330012283.db2.gz	IFVSMNOUSDJIHM-VIFPVBQESA-N	-1	0	262.331	0.663	20	30		CCEDRM
C=CCC[C@H](NC(=O)c1ccc(OC)nn1)C(=O)[O-]	ZINC000262851352	330035430	/nfs/dbraw/zinc/03/54/30/330035430.db2.gz	HVQASCUBSSBOHF-VIFPVBQESA-N	-1	0	265.269	0.634	20	30		CCEDRM
C=CCOC[C@@H](NC(=O)[C@H]1Cc2ccccc2O1)C(=O)[O-]	ZINC000262866179	330035779	/nfs/dbraw/zinc/03/57/79/330035779.db2.gz	BBQARAKCKPPQBZ-DGCLKSJQSA-N	-1	0	291.303	0.762	20	30		CCEDRM
C=CCC[C@@H](NC(=O)CNC(=O)CCC)C(=O)[O-]	ZINC000262906838	330036259	/nfs/dbraw/zinc/03/62/59/330036259.db2.gz	MTGQNIIVVSLYOV-SECBINFHSA-N	-1	0	256.302	0.438	20	30		CCEDRM
C=CCOC[C@H](NC(=O)c1noc2c1CCCC2)C(=O)[O-]	ZINC000262935859	330037440	/nfs/dbraw/zinc/03/74/40/330037440.db2.gz	HJJRWQBUDPKDNH-JTQLQIEISA-N	-1	0	294.307	0.939	20	30		CCEDRM
C=CCOC[C@@H](NC(=O)[C@H]1CCCCO1)C(=O)[O-]	ZINC000262949864	330037520	/nfs/dbraw/zinc/03/75/20/330037520.db2.gz	IJNNQGRGVGFQDG-NXEZZACHSA-N	-1	0	257.286	0.328	20	30		CCEDRM
C=CCOC[C@H](NC(=O)CCOC(C)C)C(=O)[O-]	ZINC000262954137	330037619	/nfs/dbraw/zinc/03/76/19/330037619.db2.gz	IRQMPEKPMWDUGZ-JTQLQIEISA-N	-1	0	259.302	0.574	20	30		CCEDRM
C=CCOC[C@H](NC(=O)c1cscn1)C(=O)[O-]	ZINC000262987634	330038161	/nfs/dbraw/zinc/03/81/61/330038161.db2.gz	LFBMIYKVTQVBFR-ZETCQYMHSA-N	-1	0	256.283	0.529	20	30		CCEDRM
C=CCCO[C@H](C)C(=O)N1CCO[C@H](C(=O)[O-])C1	ZINC000263051009	330040793	/nfs/dbraw/zinc/04/07/93/330040793.db2.gz	WWSHFISZAAQFJH-ZJUUUORDSA-N	-1	0	257.286	0.280	20	30		CCEDRM
C[C@H]1C[C@@H](C(=O)[O-])CN(S(=O)(=O)CCC#N)C1	ZINC000263207616	330049214	/nfs/dbraw/zinc/04/92/14/330049214.db2.gz	NCNKZYGFWWMVHC-DTWKUNHWSA-N	-1	0	260.315	0.272	20	30		CCEDRM
CCN(CCC#N)S(=O)(=O)N(C)C[C@H](C)C(=O)[O-]	ZINC000263454479	330056730	/nfs/dbraw/zinc/05/67/30/330056730.db2.gz	BPHOGAKWAUKMIH-VIFPVBQESA-N	-1	0	277.346	0.119	20	30		CCEDRM
C[C@]1(C(=O)[O-])CCN(S(=O)(=O)CC2(CC#N)CC2)C1	ZINC000263465947	330057008	/nfs/dbraw/zinc/05/70/08/330057008.db2.gz	GEASDLQLXAXOQV-NSHDSACASA-N	-1	0	286.353	0.807	20	30		CCEDRM
N#CC1(CS(=O)(=O)N2CC[C@@H](C(=O)[O-])C2)CCCC1	ZINC000263547763	330059367	/nfs/dbraw/zinc/05/93/67/330059367.db2.gz	IIKZGLOAXHAFJA-SNVBAGLBSA-N	-1	0	286.353	0.807	20	30		CCEDRM
CCN(C[C@H](C)C#N)S(=O)(=O)N1CCC[C@H]1C(=O)[O-]	ZINC000263549145	330059465	/nfs/dbraw/zinc/05/94/65/330059465.db2.gz	JKESYOFWPOWDJG-ZJUUUORDSA-N	-1	0	289.357	0.262	20	30		CCEDRM
C=CC1CCN(C(=O)C(=O)N(C)CCCC(=O)[O-])CC1	ZINC000422816903	330156175	/nfs/dbraw/zinc/15/61/75/330156175.db2.gz	BPPIWYVWAPASAW-UHFFFAOYSA-N	-1	0	282.340	0.734	20	30		CCEDRM
C=CCN(CC=C)C(=O)C(=O)NCCC(C)(C)C(=O)[O-]	ZINC000424475734	330354178	/nfs/dbraw/zinc/35/41/78/330354178.db2.gz	CERUYCJPCJZILT-UHFFFAOYSA-N	-1	0	282.340	0.804	20	30		CCEDRM
COc1cccc(S([O-])=CC(=O)N(CC#N)CC#N)c1	ZINC000424633208	330434077	/nfs/dbraw/zinc/43/40/77/330434077.db2.gz	VZFXDVNMWHXHOG-FQEVSTJZSA-N	-1	0	291.332	0.679	20	30		CCEDRM
C#CCN(CC)C(=O)C(=O)N=c1[n-]n(C(C)C)cc1C#N	ZINC000490916010	332128964	/nfs/dbraw/zinc/12/89/64/332128964.db2.gz	RDPPEWXYOMJLLL-UHFFFAOYSA-N	-1	0	287.323	0.178	20	30		CCEDRM
CC#CCS(=O)(=O)[N-]C(=O)/C=C/c1nccn1CC	ZINC000493350407	332436514	/nfs/dbraw/zinc/43/65/14/332436514.db2.gz	IZULVEDRMDCPIN-VOTSOKGWSA-N	-1	0	281.337	0.386	20	30		CCEDRM
C=CCSCCNC(=O)N1C[C@@H](OC)C[C@@H]1C(=O)[O-]	ZINC000231957350	333332343	/nfs/dbraw/zinc/33/23/43/333332343.db2.gz	QZPQRMKBCZHGDB-VHSXEESVSA-N	-1	0	288.369	0.789	20	30		CCEDRM
CC(C)(C)n1cnc(=NC(=O)N2CCO[C@@H](C#N)C2)[n-]1	ZINC000541507134	333777575	/nfs/dbraw/zinc/77/75/75/333777575.db2.gz	OOWNLHORVYOKKG-VIFPVBQESA-N	-1	0	278.316	0.211	20	30		CCEDRM
CC#CC[C@@H](NS(=O)(=O)Cc1ccccc1)C(=O)[O-]	ZINC000541931945	333801847	/nfs/dbraw/zinc/80/18/47/333801847.db2.gz	HEFPNRMSPOPPBH-GFCCVEGCSA-N	-1	0	281.333	0.973	20	30		CCEDRM
C=CCC[C@H](NS(=O)(=O)C[C@@H](OC)C1CC1)C(=O)[O-]	ZINC000576156975	335161732	/nfs/dbraw/zinc/16/17/32/335161732.db2.gz	UISWSSNKKJZWDU-WDEREUQCSA-N	-1	0	291.369	0.750	20	30		CCEDRM
C[C@H](CCCC(=O)[O-])NS(=O)(=O)CCCC#N	ZINC000548214153	334146596	/nfs/dbraw/zinc/14/65/96/334146596.db2.gz	PVDXQOXJENVDPV-SECBINFHSA-N	-1	0	262.331	0.853	20	30		CCEDRM
C[C@H]1CCN(S(=O)(=O)CC2(C#N)CC2)[C@@H]1C(=O)[O-]	ZINC000548245103	334146976	/nfs/dbraw/zinc/14/69/76/334146976.db2.gz	ZOMLAQPUFLVROK-IUCAKERBSA-N	-1	0	272.326	0.415	20	30		CCEDRM
C[C@@H](CCC(=O)[O-])NS(=O)(=O)CC1(C#N)CC1	ZINC000548268507	334147833	/nfs/dbraw/zinc/14/78/33/334147833.db2.gz	DLCNRSZCGQKRAT-QMMMGPOBSA-N	-1	0	260.315	0.463	20	30		CCEDRM
C=CCC[C@H](NS(=O)(=O)c1cnn(CC)c1)C(=O)[O-]	ZINC000564392897	334334271	/nfs/dbraw/zinc/33/42/71/334334271.db2.gz	OKORBFZZSKRLAM-JTQLQIEISA-N	-1	0	287.341	0.601	20	30		CCEDRM
C[C@H](C#N)CNS(=O)(=O)c1ccc(C(=O)[O-])cc1F	ZINC000092114688	334396882	/nfs/dbraw/zinc/39/68/82/334396882.db2.gz	SSHNYHZGRSYHNY-SSDOTTSWSA-N	-1	0	286.284	0.962	20	30		CCEDRM
C=CCN(CC(=O)[O-])S(=O)(=O)N1CCC(C)CC1	ZINC000092464009	334419280	/nfs/dbraw/zinc/41/92/80/334419280.db2.gz	WGZXJJCRNLCKOP-UHFFFAOYSA-N	-1	0	276.358	0.536	20	30		CCEDRM
C[C@H]([C@H](NS(=O)(=O)N(C)CCC#N)C(=O)[O-])C1CC1	ZINC000554680023	334446274	/nfs/dbraw/zinc/44/62/74/334446274.db2.gz	IFEZJJVPNMOEDV-WPRPVWTQSA-N	-1	0	289.357	0.166	20	30		CCEDRM
N#Cc1c(C2CC2)[n-][nH]c1=NC(=O)c1cccc(C(N)=O)n1	ZINC000565973576	334613402	/nfs/dbraw/zinc/61/34/02/334613402.db2.gz	RKFZPRSCPYPFBO-UHFFFAOYSA-N	-1	0	296.290	0.327	20	30		CCEDRM
C=C[C@H](CCC(=O)[O-])NS(=O)(=O)C[C@H]1CCCCO1	ZINC000579081414	335707154	/nfs/dbraw/zinc/70/71/54/335707154.db2.gz	PNTJFIBBAJPDKF-GHMZBOCLSA-N	-1	0	291.369	0.894	20	30		CCEDRM
CC(=O)N(C)c1ccc(C(=O)N=c2[n-]n(C)cc2C#N)cc1	ZINC000362752169	534741624	/nfs/dbraw/zinc/74/16/24/534741624.db2.gz	LNLGLWBFSJFBGH-UHFFFAOYSA-N	-1	0	297.318	0.949	20	30		CCEDRM
C=C(C)CN(C)C(=O)C(=O)N=c1ncn(C(C)(C)C)[n-]1	ZINC000344514605	526473826	/nfs/dbraw/zinc/47/38/26/526473826.db2.gz	OVPBTRISYZRLAO-UHFFFAOYSA-N	-1	0	279.344	0.428	20	30		CCEDRM
C=CCN1CC[C@@H](Sc2n[n-]c(=NC)s2)C1=O	ZINC000347696061	526488180	/nfs/dbraw/zinc/48/81/80/526488180.db2.gz	ZJQJSFHFSQXNON-SSDOTTSWSA-N	-1	0	270.383	0.881	20	30		CCEDRM
C=CCN=c1[n-]nc(S(=O)(=O)C[C@H]2CCOC2)s1	ZINC000352752161	526521579	/nfs/dbraw/zinc/52/15/79/526521579.db2.gz	JIGTVELYHQBVKB-QMMMGPOBSA-N	-1	0	289.382	0.368	20	30		CCEDRM
C=CCCCNC(=O)Cc1c(C)nc2cc[n-]n2c1=O	ZINC000344557266	527216008	/nfs/dbraw/zinc/21/60/08/527216008.db2.gz	MYBUXEWAUFVSDE-UHFFFAOYSA-N	-1	0	274.324	0.956	20	30		CCEDRM
C=C[C@@H](C)NC(=O)N=c1[n-]n(C)cc1C(=O)OCC	ZINC000345128933	527404872	/nfs/dbraw/zinc/40/48/72/527404872.db2.gz	HSKHGWNXNKDKGX-MRVPVSSYSA-N	-1	0	266.301	0.715	20	30		CCEDRM
C=CCOC[C@H](NC(=O)[C@@H]1C[C@H]2CC[C@@H]1O2)C(=O)[O-]	ZINC000668290564	545171412	/nfs/dbraw/zinc/17/14/12/545171412.db2.gz	SXVLRIMYTQDCSQ-ZNSHCXBVSA-N	-1	0	269.297	0.326	20	30		CCEDRM
C=CCOC[C@@H](NC(=O)C1CC(OCC)C1)C(=O)[O-]	ZINC000668290821	545171471	/nfs/dbraw/zinc/17/14/71/545171471.db2.gz	YTRNNKQOHAYMNH-VQXHTEKXSA-N	-1	0	271.313	0.574	20	30		CCEDRM
C=CC[C@H](NS(=O)(=O)CC[C@@H]1CCCO1)C(=O)[O-]	ZINC000681559018	545456169	/nfs/dbraw/zinc/45/61/69/545456169.db2.gz	XUHXQTFUXHSJIS-UWVGGRQHSA-N	-1	0	277.342	0.504	20	30		CCEDRM
C=CCCOCC(=O)N[C@H](C(=O)[O-])[C@H]1CCCOC1	ZINC000683332962	545508432	/nfs/dbraw/zinc/50/84/32/545508432.db2.gz	BNSSYXXYZUCWNG-JQWIXIFHSA-N	-1	0	271.313	0.575	20	30		CCEDRM
O=C([O-])COc1ccccc1C=NN[C@@H]1CCOC1	ZINC000788457127	581112340	/nfs/dbraw/zinc/11/23/40/581112340.db2.gz	PSXLRPOIGPJFDQ-LLVKDONJSA-N	-1	0	264.281	0.862	20	30		CCEDRM
C[C@@H](NC(=O)[O-])[C@H]1CCCCN1CC(=O)NCC#N	ZINC000739008193	581123683	/nfs/dbraw/zinc/12/36/83/581123683.db2.gz	IJZGEYDNYYQWPI-NXEZZACHSA-N	-1	0	268.317	0.137	20	30		CCEDRM
CNC(=O)C(C#N)=C([O-])c1ccc(O[C@H]2CCOC2)cc1	ZINC000789406831	581147868	/nfs/dbraw/zinc/14/78/68/581147868.db2.gz	ZREMQEJUVDCUSV-QWHCGFSZSA-N	-1	0	288.303	0.923	20	30		CCEDRM
C=CCS(=O)(=O)[N-]C(=O)c1cnc(OCC)cn1	ZINC000778691136	581163024	/nfs/dbraw/zinc/16/30/24/581163024.db2.gz	AIIDZJDJWZUHDQ-UHFFFAOYSA-N	-1	0	271.298	0.121	20	30		CCEDRM
N#CCOc1ccc(CNC(=O)[C@H]2C[C@@H]2C(=O)[O-])cc1	ZINC000739087636	581175382	/nfs/dbraw/zinc/17/53/82/581175382.db2.gz	LJXLSJLWHOYKIC-RYUDHWBXSA-N	-1	0	274.276	0.926	20	30		CCEDRM
N#Cc1c(NC(=O)CCCNC(=O)[O-])nc2n1CCS2	ZINC000739092689	581175679	/nfs/dbraw/zinc/17/56/79/581175679.db2.gz	HQOMNMIOBZNNQE-UHFFFAOYSA-N	-1	0	295.324	0.847	20	30		CCEDRM
CO[C@H](C)CC(=O)[N-]S(=O)(=O)CC1(C#N)CCCC1	ZINC000779313128	581180546	/nfs/dbraw/zinc/18/05/46/581180546.db2.gz	KGXDEVSENXXQCJ-SNVBAGLBSA-N	-1	0	288.369	0.941	20	30		CCEDRM
N#Cc1ccc([O-])c(NC(=O)CN2CCOCC2=O)c1	ZINC000790841502	581200451	/nfs/dbraw/zinc/20/04/51/581200451.db2.gz	RUGCZGUIBDULFU-UHFFFAOYSA-N	-1	0	275.264	0.061	20	30		CCEDRM
CC#CCS(=O)(=O)[N-]C(=O)c1ccc(OC)cc1OC	ZINC000791110318	581207706	/nfs/dbraw/zinc/20/77/06/581207706.db2.gz	CAWSTQQFMDSGEL-UHFFFAOYSA-N	-1	0	297.332	0.787	20	30		CCEDRM
C[C@H](CNC(=O)[O-])N(C)S(=O)(=O)c1ccc(C#N)cc1	ZINC000738943091	581211504	/nfs/dbraw/zinc/21/15/04/581211504.db2.gz	QXQUXFMGWXMNOL-SECBINFHSA-N	-1	0	297.336	0.835	20	30		CCEDRM
CNC(=O)C(C#N)=C([O-])c1ccc(-c2ncn(C)n2)cc1	ZINC000780312298	581224667	/nfs/dbraw/zinc/22/46/67/581224667.db2.gz	JNTZNKDFBJJELI-LLVKDONJSA-N	-1	0	283.291	0.551	20	30		CCEDRM
C#CCCCCCC(=O)[N-]S(=O)(=O)CCOC	ZINC000780364901	581226059	/nfs/dbraw/zinc/22/60/59/581226059.db2.gz	PSDUEBAPWMJGAU-UHFFFAOYSA-N	-1	0	261.343	0.663	20	30		CCEDRM
Cc1cc([C@H](C#N)C(=O)[C@H]2C[C@H]2C(=O)[O-])nc(C)n1	ZINC000738350813	581268047	/nfs/dbraw/zinc/26/80/47/581268047.db2.gz	BWXMDNKYFFJTQM-AEJSXWLSSA-N	-1	0	259.265	0.990	20	30		CCEDRM
CCn1cc(CC(=O)[N-]S(=O)(=O)CCCC#N)cn1	ZINC000781538788	581271538	/nfs/dbraw/zinc/27/15/38/581271538.db2.gz	YKXDXWQEDFHBMW-UHFFFAOYSA-N	-1	0	284.341	0.195	20	30		CCEDRM
N#Cc1nc(NC(=O)c2cc3n[nH]nc3cc2F)[n-]c1C#N	ZINC000781904193	581279680	/nfs/dbraw/zinc/27/96/80/581279680.db2.gz	PAGNPYWHMDNGQF-UHFFFAOYSA-N	-1	0	296.225	0.816	20	30		CCEDRM
CC[C@@H](NN=C1C(=O)Nc2cc(O)ccc21)C(=O)[O-]	ZINC000793056560	581282702	/nfs/dbraw/zinc/28/27/02/581282702.db2.gz	VWBOZNQHAFJHDU-MRVPVSSYSA-N	-1	0	263.253	0.501	20	30		CCEDRM
CC[C@@H](NN=C1CCC[C@H](S(C)(=O)=O)C1)C(=O)[O-]	ZINC000793073500	581283535	/nfs/dbraw/zinc/28/35/35/581283535.db2.gz	WLCWESJXFDFQSU-VHSXEESVSA-N	-1	0	276.358	0.782	20	30		CCEDRM
CCCc1cc(C(=O)[N-]S(=O)(=O)CC2(C#N)CC2)[nH]n1	ZINC000793194743	581287833	/nfs/dbraw/zinc/28/78/33/581287833.db2.gz	WVNROWHYNXNZGB-UHFFFAOYSA-N	-1	0	296.352	0.726	20	30		CCEDRM
COC(C)(C)CC(=O)[N-]S(=O)(=O)CC1(C#N)CC1	ZINC000793211289	581288431	/nfs/dbraw/zinc/28/84/31/581288431.db2.gz	AJZDVJIOMZRMJO-UHFFFAOYSA-N	-1	0	274.342	0.551	20	30		CCEDRM
Cc1c(S(=O)(=O)[N-]c2cnn(CC#N)c2)cnn1C	ZINC000793386339	581296543	/nfs/dbraw/zinc/29/65/43/581296543.db2.gz	ZHJWTEDPOCSUTO-UHFFFAOYSA-N	-1	0	280.313	0.249	20	30		CCEDRM
CNC(=S)NN=Cc1ccc(O[C@@H](C)C(=O)[O-])cc1	ZINC000794863039	581312925	/nfs/dbraw/zinc/31/29/25/581312925.db2.gz	YOMVQKHOMRFSJL-QMMMGPOBSA-N	-1	0	281.337	0.966	20	30		CCEDRM
N#CCCCS(=O)(=O)NC1CCN(C(=O)[O-])CC1	ZINC000738428030	581318095	/nfs/dbraw/zinc/31/80/95/581318095.db2.gz	IFBPGIQBCHZSEN-UHFFFAOYSA-N	-1	0	275.330	0.352	20	30		CCEDRM
COCCSCCCn1ccc(C=NO)nc1=O	ZINC000783024415	581334197	/nfs/dbraw/zinc/33/41/97/581334197.db2.gz	KULSNTFBRRZYDN-UHFFFAOYSA-N	-1	0	271.342	0.821	20	30		CCEDRM
CC(C)NC(=O)C(C#N)=C([O-])c1cnc2n[nH]nc2c1	ZINC000783077903	581335081	/nfs/dbraw/zinc/33/50/81/581335081.db2.gz	ZNBPXRMNFYRCJI-QMMMGPOBSA-N	-1	0	272.268	0.200	20	30		CCEDRM
CO[C@@H](C)C(=O)OCc1cc(=O)n2[n-]cc(C#N)c2n1	ZINC000783094648	581335666	/nfs/dbraw/zinc/33/56/66/581335666.db2.gz	CDEDPKIOEPALTG-ZETCQYMHSA-N	-1	0	276.252	0.385	20	30		CCEDRM
Cc1nn2cccnc2c1C([O-])=C(C#N)C(=O)N1CCCC1	ZINC000727952608	581342514	/nfs/dbraw/zinc/34/25/14/581342514.db2.gz	MXVMHOPMFHYFKP-LLVKDONJSA-N	-1	0	297.318	0.983	20	30		CCEDRM
Cc1nn2cccnc2c1C([O-])=C(C#N)C(=O)NC(C)C	ZINC000727954159	581342744	/nfs/dbraw/zinc/34/27/44/581342744.db2.gz	LEWVJXWGWYZUHN-SNVBAGLBSA-N	-1	0	285.307	0.885	20	30		CCEDRM
C=C(Br)CNC(=O)[C@@H]1C[C@@H](O)CN1C(=O)[O-]	ZINC000738470695	581344325	/nfs/dbraw/zinc/34/43/25/581344325.db2.gz	LXFLBHMOHWPMQL-RQJHMYQMSA-N	-1	0	293.117	0.124	20	30		CCEDRM
CO[C@H](C)CC(=O)OCc1cc(=O)n2[n-]cc(C#N)c2n1	ZINC000783337115	581345246	/nfs/dbraw/zinc/34/52/46/581345246.db2.gz	JLLMIWVFJAGUGH-MRVPVSSYSA-N	-1	0	290.279	0.775	20	30		CCEDRM
C=CCNC(=O)C(=O)Nc1ccc2c(c1)CCN2C(=O)[O-]	ZINC000738491230	581360398	/nfs/dbraw/zinc/36/03/98/581360398.db2.gz	HNRUPNGUHPRSTJ-UHFFFAOYSA-N	-1	0	289.291	0.968	20	30		CCEDRM
O=C([O-])c1ccc(C=NN2CC(=O)NC2=O)c(Cl)c1	ZINC000783815386	581364687	/nfs/dbraw/zinc/36/46/87/581364687.db2.gz	FPRWSBFQUAZMDN-UHFFFAOYSA-N	-1	0	281.655	0.924	20	30		CCEDRM
COC(=O)c1occc1C=NNc1nnc(C)c(=O)[n-]1	ZINC000794752961	581387210	/nfs/dbraw/zinc/38/72/10/581387210.db2.gz	YSLMDDWDNXNTLT-UHFFFAOYSA-N	-1	0	277.240	0.711	20	30		CCEDRM
C[C@H]1C[C@@H](C(=O)[N-]S(=O)(=O)CCCC#N)CO1	ZINC000784539595	581387606	/nfs/dbraw/zinc/38/76/06/581387606.db2.gz	GCJXWAXHASJCDB-DTWKUNHWSA-N	-1	0	260.315	0.161	20	30		CCEDRM
Cc1onc(CC(=O)[N-]OCCOC(C)C)c1C#N	ZINC000795070134	581397197	/nfs/dbraw/zinc/39/71/97/581397197.db2.gz	WMXWIFXDZACRSL-UHFFFAOYSA-N	-1	0	267.285	0.870	20	30		CCEDRM
CC(C)(C#N)CC(=O)[N-]S(=O)(=O)c1ccccn1	ZINC000786419518	581440194	/nfs/dbraw/zinc/44/01/94/581440194.db2.gz	DPRBICKXZXULKL-UHFFFAOYSA-N	-1	0	267.310	0.826	20	30		CCEDRM
C=CCS(=O)(=O)[N-]C(=O)c1ccc(N(C)C(C)=O)cc1	ZINC000786474422	581442113	/nfs/dbraw/zinc/44/21/13/581442113.db2.gz	PLCUFOVTFVNOPR-UHFFFAOYSA-N	-1	0	296.348	0.915	20	30		CCEDRM
COCCOCCS(=O)(=O)[N-]C(=O)CC(C)(C)C#N	ZINC000786471755	581442157	/nfs/dbraw/zinc/44/21/57/581442157.db2.gz	OLNCMWQVZGLPGR-UHFFFAOYSA-N	-1	0	292.357	0.035	20	30		CCEDRM
Cn1nccc1S(=O)(=O)[N-]C(=O)CC(C)(C)C#N	ZINC000786496625	581442777	/nfs/dbraw/zinc/44/27/77/581442777.db2.gz	JYPNOLSHGPGCEQ-UHFFFAOYSA-N	-1	0	270.314	0.165	20	30		CCEDRM
COCCNC(=O)C(C#N)=C([O-])c1nnn(C(C)C)c1C	ZINC000796748054	581449678	/nfs/dbraw/zinc/44/96/78/581449678.db2.gz	OGECTPCNSVRQLH-SNVBAGLBSA-N	-1	0	293.327	0.253	20	30		CCEDRM
COCCNC(=O)C(C#N)=C([O-])c1cncs1	ZINC000796749596	581449795	/nfs/dbraw/zinc/44/97/95/581449795.db2.gz	VXYNERIYLNXELR-SSDOTTSWSA-N	-1	0	253.283	0.228	20	30		CCEDRM
CNC(=O)C(C#N)=C([O-])c1ccnc(NC(=O)C2CC2)c1	ZINC000796796527	581450950	/nfs/dbraw/zinc/45/09/50/581450950.db2.gz	DWWPNNGMVRDJLG-JTQLQIEISA-N	-1	0	286.291	0.499	20	30		CCEDRM
N#CCCCS(=O)(=O)[N-]C(=O)c1cnn2c1OCCC2	ZINC000797032865	581458230	/nfs/dbraw/zinc/45/82/30/581458230.db2.gz	WECMBDAZDADDFO-UHFFFAOYSA-N	-1	0	298.324	0.029	20	30		CCEDRM
N#Cc1ccc(C(=O)[N-]S(=O)(=O)Cc2cccnc2)o1	ZINC000797056749	581458622	/nfs/dbraw/zinc/45/86/22/581458622.db2.gz	GLWQCPIZWQCESZ-UHFFFAOYSA-N	-1	0	291.288	0.806	20	30		CCEDRM
N#Cc1ccc2c(c1)CC[C@@H]2NC(=O)c1cc(=O)[nH][n-]1	ZINC000787990805	581484312	/nfs/dbraw/zinc/48/43/12/581484312.db2.gz	DADMDQIMKKWOCU-NSHDSACASA-N	-1	0	268.276	0.538	20	30		CCEDRM
N#Cc1cn(CC(=O)NCCC(=O)[O-])c2ccccc2c1=O	ZINC000739141934	581510848	/nfs/dbraw/zinc/51/08/48/581510848.db2.gz	FKQKAEQVPIBROI-UHFFFAOYSA-N	-1	0	299.286	0.464	20	30		CCEDRM
N#Cc1cccnc1NCCOC(=O)[C@@H]1C[C@H]1C(=O)[O-]	ZINC000739141878	581510963	/nfs/dbraw/zinc/51/09/63/581510963.db2.gz	BSEWRURFDKESNY-NXEZZACHSA-N	-1	0	275.264	0.629	20	30		CCEDRM
NC(=NOCc1noc(CCC(=O)[O-])n1)c1cccs1	ZINC000739147988	581511329	/nfs/dbraw/zinc/51/13/29/581511329.db2.gz	FWMAYSQWGLWTON-UHFFFAOYSA-N	-1	0	296.308	0.985	20	30		CCEDRM
CC[C@@H](C#N)NC(=O)c1csc(CNC(=O)[O-])n1	ZINC000739208904	581523574	/nfs/dbraw/zinc/52/35/74/581523574.db2.gz	MFJNREXMYSWZJL-LURJTMIESA-N	-1	0	268.298	0.943	20	30		CCEDRM
CC[C@](C)(C#N)NC(=O)CN(C[C@@H]1CCCO1)C(=O)[O-]	ZINC000739212850	581523967	/nfs/dbraw/zinc/52/39/67/581523967.db2.gz	GIHZFWZVTRGCCD-GXFFZTMASA-N	-1	0	283.328	0.954	20	30		CCEDRM
CCN(CC(=O)[C@@H](C#N)C(=O)Nc1ccccn1)C(=O)[O-]	ZINC000739386350	581544560	/nfs/dbraw/zinc/54/45/60/581544560.db2.gz	ZWGZEBQBAVYWKA-SECBINFHSA-N	-1	0	290.279	0.729	20	30		CCEDRM
CNC(=O)C(C#N)=C([O-])c1cccc2c1O[C@H](C)C(=O)N2	ZINC000729186199	581557793	/nfs/dbraw/zinc/55/77/93/581557793.db2.gz	FUISOEMQTPRFIS-VXNVDRBHSA-N	-1	0	287.275	0.474	20	30		CCEDRM
C=CCNC(=O)C(C#N)=C([O-])c1cn(CCC)nn1	ZINC000766623896	581573631	/nfs/dbraw/zinc/57/36/31/581573631.db2.gz	UYTLEFZWFOBMDP-SECBINFHSA-N	-1	0	261.285	0.313	20	30		CCEDRM
C[C@H](C#N)CN(C)C(=O)[C@H]1CSCN1C(=O)[O-]	ZINC000738596266	581576477	/nfs/dbraw/zinc/57/64/77/581576477.db2.gz	HRRIXFBOFARICI-HTQZYQBOSA-N	-1	0	257.315	0.657	20	30		CCEDRM
CON=Cc1ccc(C(=O)NCc2n[nH]c(=O)[n-]2)cc1	ZINC000754355038	581587618	/nfs/dbraw/zinc/58/76/18/581587618.db2.gz	MIPURGWIZLTPSG-UHFFFAOYSA-N	-1	0	275.268	0.421	20	30		CCEDRM
CN(CCCNC(=O)[O-])S(=O)(=O)c1cccc(C#N)c1	ZINC000739679383	581591511	/nfs/dbraw/zinc/59/15/11/581591511.db2.gz	UMJLOBWVIMQYFE-UHFFFAOYSA-N	-1	0	297.336	0.836	20	30		CCEDRM
CN(CCCNC(=O)c1ccc(C#N)cn1)C(=O)[O-]	ZINC000739680412	581591748	/nfs/dbraw/zinc/59/17/48/581591748.db2.gz	SZOGUJOJVJVSLW-UHFFFAOYSA-N	-1	0	262.269	0.683	20	30		CCEDRM
CN(CCNC(=O)N1CCC(C#N)CC1)C(=O)[O-]	ZINC000739695977	581595882	/nfs/dbraw/zinc/59/58/82/581595882.db2.gz	YIFKQVYOPVKAMN-UHFFFAOYSA-N	-1	0	254.290	0.541	20	30		CCEDRM
N#Cc1ccc(C(=O)[N-]S(=O)(=O)c2ccccn2)cn1	ZINC000734964360	581599121	/nfs/dbraw/zinc/59/91/21/581599121.db2.gz	UCMSXHVLWCBSES-UHFFFAOYSA-N	-1	0	288.288	0.467	20	30		CCEDRM
C=CCCO[C@@H](C)C(=O)[N-]S(=O)(=O)c1ccccn1	ZINC000734967432	581599634	/nfs/dbraw/zinc/59/96/34/581599634.db2.gz	DHVWXNWGBNNQJY-JTQLQIEISA-N	-1	0	284.337	0.868	20	30		CCEDRM
COCCN(CC(=O)N(C)C1(C#N)CCC1)C(=O)[O-]	ZINC000739814096	581623013	/nfs/dbraw/zinc/62/30/13/581623013.db2.gz	RBDIZMWEYZWHCK-UHFFFAOYSA-N	-1	0	269.301	0.517	20	30		CCEDRM
COCCN(CC(=O)N(CC#N)C1CCCC1)C(=O)[O-]	ZINC000739818150	581623851	/nfs/dbraw/zinc/62/38/51/581623851.db2.gz	XVTRECZTVHWFKF-UHFFFAOYSA-N	-1	0	283.328	0.908	20	30		CCEDRM
C=CCS(=O)(=O)[N-]C(=O)c1cc(OC(F)F)n(C)n1	ZINC000768000354	581640417	/nfs/dbraw/zinc/64/04/17/581640417.db2.gz	VIADMHYFHBMTBX-UHFFFAOYSA-N	-1	0	295.267	0.267	20	30		CCEDRM
CC#CCS(=O)(=O)[N-]C(=O)c1cnc(C)s1	ZINC000788072559	581657847	/nfs/dbraw/zinc/65/78/47/581657847.db2.gz	WCJZOLANVZXKIG-UHFFFAOYSA-N	-1	0	258.324	0.534	20	30		CCEDRM
N#C[C@@H]1CN(C(=O)NC[C@H]2CCCN(C(=O)[O-])C2)CCO1	ZINC000740306465	581662830	/nfs/dbraw/zinc/66/28/30/581662830.db2.gz	HCOLQBMJBJAJQP-GHMZBOCLSA-N	-1	0	296.327	0.310	20	30		CCEDRM
N#CCCCCOC(=O)[C@H]1C[C@@H](O)CN1C(=O)[O-]	ZINC000740308355	581663445	/nfs/dbraw/zinc/66/34/45/581663445.db2.gz	XTPHKAUXZBOYDP-RKDXNWHRSA-N	-1	0	256.258	0.337	20	30		CCEDRM
N#CC1CCN(C(=O)CN(C[C@@H]2CCCO2)C(=O)[O-])CC1	ZINC000740309666	581664024	/nfs/dbraw/zinc/66/40/24/581664024.db2.gz	LGWYJVMTAWRMRM-LBPRGKRZSA-N	-1	0	295.339	0.908	20	30		CCEDRM
N#CC1(C(=O)N2CC[C@@H](CNC(=O)[O-])C2)CCC1	ZINC000740311089	581664105	/nfs/dbraw/zinc/66/41/05/581664105.db2.gz	YADSMHMPOKUSKF-VIFPVBQESA-N	-1	0	251.286	0.796	20	30		CCEDRM
N#Cc1cccc(S(=O)(=O)NC2CN(C(=O)[O-])C2)c1	ZINC000740322724	581665974	/nfs/dbraw/zinc/66/59/74/581665974.db2.gz	GQJCBJCUATYPNE-UHFFFAOYSA-N	-1	0	281.293	0.199	20	30		CCEDRM
C#CCN1CCC[C@H]1C(=O)N[C@@H]1CCCN(C(=O)[O-])C1	ZINC000736080262	581687766	/nfs/dbraw/zinc/68/77/66/581687766.db2.gz	RMFMONLAZOTYGU-NEPJUHHUSA-N	-1	0	279.340	0.343	20	30		CCEDRM
C#CCNC(=O)c1ccccc1NC(=O)[C@@H]1C[C@@H]1C(=O)[O-]	ZINC000736076903	581694598	/nfs/dbraw/zinc/69/45/98/581694598.db2.gz	WMYQIALGVVALJG-MNOVXSKESA-N	-1	0	286.287	0.709	20	30		CCEDRM
C=CCNC(=O)NC(=O)[C@@H](C)SC[C@@H](C)C(=O)[O-]	ZINC000736106241	581696691	/nfs/dbraw/zinc/69/66/91/581696691.db2.gz	VOKYZWHKIAHBTA-HTQZYQBOSA-N	-1	0	274.342	0.841	20	30		CCEDRM
C=CCNC(=O)[C@@H](C#N)C(=O)CCSCC(=O)[O-]	ZINC000736107503	581697786	/nfs/dbraw/zinc/69/77/86/581697786.db2.gz	XIVZDVVYZBGSMR-QMMMGPOBSA-N	-1	0	270.310	0.205	20	30		CCEDRM
C=CCN1C(=O)N[C@H](c2cn(C)nn2)C(C(=O)[O-])=C1C	ZINC000736107582	581697797	/nfs/dbraw/zinc/69/77/97/581697797.db2.gz	ZAWDNWYTWLPGLH-SNVBAGLBSA-N	-1	0	277.284	0.426	20	30		CCEDRM
O=C([O-])Cn1cc(/C=C\C(=O)c2cncc(F)c2)nn1	ZINC000759084307	581700847	/nfs/dbraw/zinc/70/08/47/581700847.db2.gz	OLFAEXQESBTWTB-UPHRSURJSA-N	-1	0	276.227	0.793	20	30		CCEDRM
C=CCOCC(=O)N1CCC2(C[C@@H]2C(=O)[O-])CC1	ZINC000736109230	581700970	/nfs/dbraw/zinc/70/09/70/581700970.db2.gz	BNXYZZKJXZOLDX-SNVBAGLBSA-N	-1	0	253.298	0.902	20	30		CCEDRM
C#Cc1ccc(C(=O)N2CCN(C(=O)[O-])CC2)nc1	ZINC000736093555	581700980	/nfs/dbraw/zinc/70/09/80/581700980.db2.gz	VUTAWVVKXTYYSS-UHFFFAOYSA-N	-1	0	259.265	0.499	20	30		CCEDRM
C#Cc1ccc(C(=O)Nc2ccn(CC(=O)[O-])n2)cn1	ZINC000736092636	581701174	/nfs/dbraw/zinc/70/11/74/581701174.db2.gz	IKWBKISLMBTRCK-UHFFFAOYSA-N	-1	0	270.248	0.596	20	30		CCEDRM
C=C(Br)CN1C(=O)N[C@H](CC(=O)[O-])C1=O	ZINC000736095054	581701800	/nfs/dbraw/zinc/70/18/00/581701800.db2.gz	GYUCDCZFTVCAOS-RXMQYKEDSA-N	-1	0	277.074	0.290	20	30		CCEDRM
CC(=NNC(=S)NCC(N)=O)c1ccccc1C(=O)[O-]	ZINC000757464810	581702512	/nfs/dbraw/zinc/70/25/12/581702512.db2.gz	GXWWAUXBBIFIEP-UHFFFAOYSA-N	-1	0	294.336	0.058	20	30		CCEDRM
N#Cc1ccc([C@@H](O)C(=O)[N-]OCC(F)F)cc1	ZINC000760146955	581705079	/nfs/dbraw/zinc/70/50/79/581705079.db2.gz	JGPYHQNSDSNLDT-SNVBAGLBSA-N	-1	0	256.208	0.905	20	30		CCEDRM
C#Cc1ccc(C(=O)[N-]N2C(=O)N[C@](C)(CC)C2=O)nc1	ZINC000769811695	581708827	/nfs/dbraw/zinc/70/88/27/581708827.db2.gz	CSHKBZWJLIXCON-CQSZACIVSA-N	-1	0	286.291	0.428	20	30		CCEDRM
CC(=O)c1[nH]c(CC(=O)NC2(C#N)CC2)c(C(=O)[O-])c1C	ZINC000736183845	581711560	/nfs/dbraw/zinc/71/15/60/581711560.db2.gz	YBLYQKOCVDEROH-UHFFFAOYSA-N	-1	0	289.291	0.939	20	30		CCEDRM
CCC(=NNc1nnc(C)c(=O)[n-]1)c1ccn(C)n1	ZINC000758081470	581721064	/nfs/dbraw/zinc/72/10/64/581721064.db2.gz	UXJRCIXLTXKVAK-UHFFFAOYSA-N	-1	0	261.289	0.845	20	30		CCEDRM
N#Cc1ccc(C(=O)Nc2nnc(C3=S=CC=C3)[n-]2)nc1	ZINC000730832309	581739744	/nfs/dbraw/zinc/73/97/44/581739744.db2.gz	AMVHPLMMAWINDN-UHFFFAOYSA-N	-1	0	296.315	0.949	20	30		CCEDRM
CC(C)[C@H](NC(=O)[O-])C(=O)NC1CCN(CC#N)CC1	ZINC000736366597	581753323	/nfs/dbraw/zinc/75/33/23/581753323.db2.gz	VNQCHXOHQYWDDM-NSHDSACASA-N	-1	0	282.344	0.383	20	30		CCEDRM
CC(C)[C@H](NC(=O)[O-])C(=O)Nc1cnn(CC#N)c1	ZINC000736379327	581755524	/nfs/dbraw/zinc/75/55/24/581755524.db2.gz	CNVIHALFVZPURQ-VIFPVBQESA-N	-1	0	265.273	0.637	20	30		CCEDRM
COC(=O)NCCC(=O)C(C#N)=C([O-])c1nccn1C	ZINC000770862462	581775560	/nfs/dbraw/zinc/77/55/60/581775560.db2.gz	NBRYEOUDYXPFSW-MRVPVSSYSA-N	-1	0	278.268	0.058	20	30		CCEDRM
COC[C@@H](C)CC(=O)C(C#N)=C([O-])c1nccn1C	ZINC000770871202	581775721	/nfs/dbraw/zinc/77/57/21/581775721.db2.gz	INMFLONHTOGEGT-VHSXEESVSA-N	-1	0	263.297	0.984	20	30		CCEDRM
COCCOCCC(=O)C(C#N)=C([O-])c1nccn1C	ZINC000770872094	581775731	/nfs/dbraw/zinc/77/57/31/581775731.db2.gz	RIYAAKAPTVVXTI-SNVBAGLBSA-N	-1	0	279.296	0.365	20	30		CCEDRM
CNC(=O)C(C#N)=C([O-])c1nc(C)n(-c2ccccc2)n1	ZINC000731767873	581781775	/nfs/dbraw/zinc/78/17/75/581781775.db2.gz	OXFLGROONBXNKV-NSHDSACASA-N	-1	0	283.291	0.644	20	30		CCEDRM
N#CC1(CS(=O)(=O)[N-]C(=O)[C@H]2CCCCO2)CCC1	ZINC000771073553	581789067	/nfs/dbraw/zinc/78/90/67/581789067.db2.gz	CJZNMBPUIOHQOR-SNVBAGLBSA-N	-1	0	286.353	0.695	20	30		CCEDRM
Cc1n[nH]cc1S(=O)(=O)[N-]c1cnn(CC#N)c1	ZINC000732045240	581799355	/nfs/dbraw/zinc/79/93/55/581799355.db2.gz	FTKGLBDTPYLTHQ-UHFFFAOYSA-N	-1	0	266.286	0.239	20	30		CCEDRM
COCCS(=O)(=O)[N-]C(=O)COc1cccc(C#N)c1	ZINC000732523715	581833487	/nfs/dbraw/zinc/83/34/87/581833487.db2.gz	CHQPTRSRUASTGJ-UHFFFAOYSA-N	-1	0	298.320	0.029	20	30		CCEDRM
C=CCOCCCC(=O)[N-]S(=O)(=O)c1ccccn1	ZINC000744152341	581833560	/nfs/dbraw/zinc/83/35/60/581833560.db2.gz	WQPVPJHYRDMGSV-UHFFFAOYSA-N	-1	0	284.337	0.869	20	30		CCEDRM
C=CCNC(=O)C(C#N)=C([O-])c1cnc2nccnc2c1	ZINC000760183527	581847969	/nfs/dbraw/zinc/84/79/69/581847969.db2.gz	MVIMBXPDZWZDMK-JTQLQIEISA-N	-1	0	281.275	0.649	20	30		CCEDRM
COCCNC(=O)C(C#N)=C([O-])c1oc(C2CC2)nc1C	ZINC000760197373	581848603	/nfs/dbraw/zinc/84/86/03/581848603.db2.gz	JOMPVAPSVWZBMP-JTQLQIEISA-N	-1	0	291.307	0.946	20	30		CCEDRM
CC(C)N(CCC(=O)N1CCO[C@@H](C#N)C1)C(=O)[O-]	ZINC000738838915	581848972	/nfs/dbraw/zinc/84/89/72/581848972.db2.gz	BETROEFXMCIUAD-JTQLQIEISA-N	-1	0	269.301	0.516	20	30		CCEDRM
O=C([O-])COc1ccc(C=NN2CC(=O)NC2=O)cc1	ZINC000744810490	581853849	/nfs/dbraw/zinc/85/38/49/581853849.db2.gz	QPXAJWKFOJOSIR-UHFFFAOYSA-N	-1	0	277.236	0.036	20	30		CCEDRM
C=CCS(=O)(=O)[N-]C(=O)[C@H](C)c1cnn(C)c1	ZINC000772709994	581884825	/nfs/dbraw/zinc/88/48/25/581884825.db2.gz	KZGMYUZQNISBKP-MRVPVSSYSA-N	-1	0	257.315	0.156	20	30		CCEDRM
C=CCS(=O)(=O)[N-]C(=O)[C@@H](C)OC[C@@H]1CCCO1	ZINC000772712948	581885384	/nfs/dbraw/zinc/88/53/84/581885384.db2.gz	GFBWQCYIPLCACR-ZJUUUORDSA-N	-1	0	277.342	0.203	20	30		CCEDRM
C=CCS(=O)(=O)[N-]C(=O)c1cnn2c1CCCC2	ZINC000772715499	581885491	/nfs/dbraw/zinc/88/54/91/581885491.db2.gz	OHKSNMRDDCSIQQ-UHFFFAOYSA-N	-1	0	269.326	0.465	20	30		CCEDRM
C=CCS(=O)(=O)[N-]C(=O)CSC[C@H]1CCCCO1	ZINC000772718648	581886204	/nfs/dbraw/zinc/88/62/04/581886204.db2.gz	VHMYYWLLJGGESU-SNVBAGLBSA-N	-1	0	293.410	0.921	20	30		CCEDRM
C=CCS(=O)(=O)[N-]C(=O)[C@@H]1Cc2ccccc2C(=O)O1	ZINC000772720292	581886227	/nfs/dbraw/zinc/88/62/27/581886227.db2.gz	GQRHUOQKEQAVAI-NSHDSACASA-N	-1	0	295.316	0.400	20	30		CCEDRM
CCS(=O)(=O)[N-]C(=O)Cc1ccccc1CC#N	ZINC000761103247	581888637	/nfs/dbraw/zinc/88/86/37/581888637.db2.gz	BXRGPSUHONEERO-UHFFFAOYSA-N	-1	0	266.322	0.761	20	30		CCEDRM
CSC[C@H](C)C(=O)Nc1nc(C#N)c(-c2nn[nH]n2)[n-]1	ZINC000737179217	581919561	/nfs/dbraw/zinc/91/95/61/581919561.db2.gz	JJMBIVIQCYOJBH-YFKPBYRVSA-N	-1	0	292.328	0.399	20	30		CCEDRM
C=CCN(CC(=O)[O-])C(=O)C(=O)Nc1cc(C)on1	ZINC000762021013	581928217	/nfs/dbraw/zinc/92/82/17/581928217.db2.gz	HOGGFUFMLZSEGP-UHFFFAOYSA-N	-1	0	267.241	0.021	20	30		CCEDRM
C=CCN(CC(=O)[O-])C(=O)CN1Cc2ccccc2C1=O	ZINC000762049694	581929628	/nfs/dbraw/zinc/92/96/28/581929628.db2.gz	GLTVJQVZTCJWOI-UHFFFAOYSA-N	-1	0	288.303	0.742	20	30		CCEDRM
C#CCOCCC(=O)C(C#N)=C([O-])c1nccn1C	ZINC000756581535	581933145	/nfs/dbraw/zinc/93/31/45/581933145.db2.gz	VCWOGOAJJCUZNH-SNVBAGLBSA-N	-1	0	259.265	0.352	20	30		CCEDRM
CCc1ccc(S(=O)(=O)N(CC#N)CC(=O)[O-])s1	ZINC000737268127	581938919	/nfs/dbraw/zinc/93/89/19/581938919.db2.gz	SCCNWOZWJKPSIP-UHFFFAOYSA-N	-1	0	288.350	0.909	20	30		CCEDRM
C[C@@H](C(=O)N(C)CCC#N)N1C[C@@H](C)N(C(=O)[O-])[C@@H](C)C1	ZINC000738602211	581940311	/nfs/dbraw/zinc/94/03/11/581940311.db2.gz	MQBLGQSNRGSWJN-TUAOUCFPSA-N	-1	0	296.371	0.820	20	30		CCEDRM
C#Cc1cccc(NC(=O)CNC(=O)c2[nH]nc(C)c2[O-])c1	ZINC000747650807	581948096	/nfs/dbraw/zinc/94/80/96/581948096.db2.gz	JLBYUMUUMQYWOV-UHFFFAOYSA-N	-1	0	298.302	0.774	20	30		CCEDRM
COCCCNC(=O)C(C#N)=C([O-])c1cc(C)sn1	ZINC000774045684	581954673	/nfs/dbraw/zinc/95/46/73/581954673.db2.gz	XSRJUKMONKGXGV-VIFPVBQESA-N	-1	0	281.337	0.927	20	30		CCEDRM
Cc1nc(-c2nnn[n-]2)c(N=NCc2nccn2C)o1	ZINC000737467225	581962054	/nfs/dbraw/zinc/96/20/54/581962054.db2.gz	NPMNAAPORHKBRJ-UHFFFAOYSA-N	-1	0	273.260	0.343	20	30		CCEDRM
C#Cc1ccc(C(=O)N2CCC[C@@H](NC(=O)[O-])C2)nc1	ZINC000737495998	581965159	/nfs/dbraw/zinc/96/51/59/581965159.db2.gz	NRYQNBBNWRCSJS-LLVKDONJSA-N	-1	0	273.292	0.935	20	30		CCEDRM
C=CCS(=O)(=O)[N-]C(=O)c1ccnc(-n2ccnc2)c1	ZINC000774249237	581966880	/nfs/dbraw/zinc/96/68/80/581966880.db2.gz	IRYUNVWLBRZXPU-UHFFFAOYSA-N	-1	0	292.320	0.513	20	30		CCEDRM
C=CCNC(=O)CN1CCC(N(C)C(=O)[O-])CC1	ZINC000737532683	581973639	/nfs/dbraw/zinc/97/36/39/581973639.db2.gz	SWETYPSGJJSNCW-UHFFFAOYSA-N	-1	0	255.318	0.363	20	30		CCEDRM
C[C@@H](NS(C)(=O)=O)C(=O)Nc1cc(C#N)ccc1[O-]	ZINC000748409984	581974037	/nfs/dbraw/zinc/97/40/37/581974037.db2.gz	BNQKNDHSVDBESB-SSDOTTSWSA-N	-1	0	283.309	0.140	20	30		CCEDRM
CCOC(=O)NCC(=O)Nc1cc(C#N)ccc1[O-]	ZINC000748409967	581974154	/nfs/dbraw/zinc/97/41/54/581974154.db2.gz	BAFRXQBUNDIYJW-UHFFFAOYSA-N	-1	0	263.253	0.948	20	30		CCEDRM
N#Cc1ccc([O-])c(NC(=O)CN2CCCS2(=O)=O)c1	ZINC000748412519	581974678	/nfs/dbraw/zinc/97/46/78/581974678.db2.gz	TYTZZTHNGGUKLT-UHFFFAOYSA-N	-1	0	295.320	0.238	20	30		CCEDRM
C=CCS(=O)(=O)[N-]C(=O)c1cccc2c1OCCO2	ZINC000763034818	581979426	/nfs/dbraw/zinc/97/94/26/581979426.db2.gz	YDYVIDHSODDINM-UHFFFAOYSA-N	-1	0	283.305	0.703	20	30		CCEDRM
C#C[C@H](C)NC(=O)c1cc(S(=O)(=O)N(C)C)ccc1[O-]	ZINC000775383840	582021860	/nfs/dbraw/zinc/02/18/60/582021860.db2.gz	LQHIYQBCGRXSKY-VIFPVBQESA-N	-1	0	296.348	0.394	20	30		CCEDRM
C=C(C)[C@@H](CC(=O)[N-]S(=O)(=O)C[C@@H](C)OC)OCC	ZINC000764187758	582034255	/nfs/dbraw/zinc/03/42/55/582034255.db2.gz	SBMSVIKDHLWDQZ-GHMZBOCLSA-N	-1	0	293.385	0.839	20	30		CCEDRM
CO[C@H](C)CS(=O)(=O)[N-]C(=O)Cc1ccc(C#N)cc1	ZINC000764183032	582034296	/nfs/dbraw/zinc/03/42/96/582034296.db2.gz	UZCOEOMDWUZIDG-SNVBAGLBSA-N	-1	0	296.348	0.582	20	30		CCEDRM
Cc1cc(C(=O)N(CC#N)CC(=O)[O-])nn1C(C)(C)C	ZINC000738319264	582035822	/nfs/dbraw/zinc/03/58/22/582035822.db2.gz	HIBUFGKFNTYNPF-UHFFFAOYSA-N	-1	0	278.312	0.997	20	30		CCEDRM
CCOCCCNC(=O)C(C#N)=C([O-])c1ccnn1C	ZINC000750390838	582042673	/nfs/dbraw/zinc/04/26/73/582042673.db2.gz	CHWQVHCTLDDLPB-JTQLQIEISA-N	-1	0	278.312	0.285	20	30		CCEDRM
N#Cc1ccc([C@H](SCC(=O)[O-])C(N)=O)cc1	ZINC000738433075	582048988	/nfs/dbraw/zinc/04/89/88/582048988.db2.gz	WJINQRBFVSQCKC-JTQLQIEISA-N	-1	0	250.279	0.902	20	30		CCEDRM
N#Cc1ccccc1/C=C\C(=O)N1CCO[C@@H](C(=O)[O-])C1	ZINC000738434107	582049111	/nfs/dbraw/zinc/04/91/11/582049111.db2.gz	RXAHIDXYRFYUEK-CFHLNLSMSA-N	-1	0	286.287	0.883	20	30		CCEDRM
C#CCCNC(=O)N1CC[C@H](NC(=O)[O-])[C@H](C)C1	ZINC000738457446	582052605	/nfs/dbraw/zinc/05/26/05/582052605.db2.gz	NXBJVUQVLRQMFB-ZJUUUORDSA-N	-1	0	253.302	0.697	20	30		CCEDRM
Cn1cc(/C=C/C(=O)[N-]S(=O)(=O)CCCC#N)cn1	ZINC000776122876	582052928	/nfs/dbraw/zinc/05/29/28/582052928.db2.gz	UAPXPLJVGAJKDO-SNAWJCMRSA-N	-1	0	282.325	0.183	20	30		CCEDRM
C#CCNC(=O)[C@@H](C)OC(=O)CC(C)(C)NC(=O)[O-]	ZINC000738460294	582053233	/nfs/dbraw/zinc/05/32/33/582053233.db2.gz	JBQHGFBGIDWBSX-MRVPVSSYSA-N	-1	0	270.285	0.104	20	30		CCEDRM
Cc1ccncc1C(=O)[N-]S(=O)(=O)CC(C)(C)C#N	ZINC000776138012	582053468	/nfs/dbraw/zinc/05/34/68/582053468.db2.gz	VJAUYDFYOLENBM-UHFFFAOYSA-N	-1	0	281.337	0.999	20	30		CCEDRM
CS/C=C/C(=O)[N-]S(=O)(=O)CC(C)(C)C#N	ZINC000776139939	582054069	/nfs/dbraw/zinc/05/40/69/582054069.db2.gz	XNZSBDAJNCHSAD-SNAWJCMRSA-N	-1	0	262.356	0.859	20	30		CCEDRM
C#CCSCCNC(=O)N[C@H]1CCN(C(=O)[O-])C1	ZINC000738470062	582054211	/nfs/dbraw/zinc/05/42/11/582054211.db2.gz	MRGCLOJVNQNTEG-VIFPVBQESA-N	-1	0	271.342	0.404	20	30		CCEDRM
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Cc1ccccc1CS(=O)(=O)N(CC#N)CC(=O)[O-]	ZINC000738771976	582075109	/nfs/dbraw/zinc/07/51/09/582075109.db2.gz	AUQOYFRXQZWINN-UHFFFAOYSA-N	-1	0	282.321	0.735	20	30		CCEDRM
Cc1ccn2ncc(C(=O)N(CC#N)CC(=O)[O-])c2n1	ZINC000738789474	582076593	/nfs/dbraw/zinc/07/65/93/582076593.db2.gz	IZCSFNJOVVDMGH-UHFFFAOYSA-N	-1	0	273.252	0.088	20	30		CCEDRM
C=CCC[C@H](NS(=O)(=O)N(C)CCC#N)C(=O)[O-]	ZINC000776596720	582083532	/nfs/dbraw/zinc/08/35/32/582083532.db2.gz	HZQUFQAVPXUDAL-VIFPVBQESA-N	-1	0	275.330	0.086	20	30		CCEDRM
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C[C@@H](C(=O)[O-])N(C)CC(=O)Nc1ccc(C#N)cc1	ZINC000054070505	597472464	/nfs/dbraw/zinc/47/24/64/597472464.db2.gz	ANMOHPYRYUXMOX-VIFPVBQESA-N	-1	0	261.281	0.902	20	30		CCEDRM
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Cc1ccc(C#N)cc1NC(=O)C(=O)N[C@H](C)C(=O)[O-]	ZINC000818871033	597518158	/nfs/dbraw/zinc/51/81/58/597518158.db2.gz	KLAKKHOKRINYNG-MRVPVSSYSA-N	-1	0	275.264	0.395	20	30		CCEDRM
N#Cc1ccccc1S(=O)(=O)N1CC[C@@H](C(=O)[O-])C1	ZINC000062119817	597533165	/nfs/dbraw/zinc/53/31/65/597533165.db2.gz	FNKFFZLNKHEOJT-SNVBAGLBSA-N	-1	0	280.305	0.653	20	30		CCEDRM
Cn1ccnc1[C@H]1CCN(C(=O)[C@@](C)(C#N)CC(=O)[O-])C1	ZINC000821305010	597604864	/nfs/dbraw/zinc/60/48/64/597604864.db2.gz	NTWJGVNFNUHQCL-IINYFYTJSA-N	-1	0	290.323	0.741	20	30		CCEDRM
C[C@@H]1C[C@H](CNC(=O)[C@@](C)(C#N)CC(=O)[O-])CCO1	ZINC000820228548	597607795	/nfs/dbraw/zinc/60/77/95/597607795.db2.gz	PFEWRGMLTGRLRY-GIPNMCIBSA-N	-1	0	268.313	0.922	20	30		CCEDRM
C[C@@](C#N)(CC(=O)[O-])C(=O)OCCCN1CCOC1=O	ZINC000819866321	597615420	/nfs/dbraw/zinc/61/54/20/597615420.db2.gz	VRTZPTPSYJHQNM-LBPRGKRZSA-N	-1	0	284.268	0.376	20	30		CCEDRM
C[C@](C#N)(CC(=O)[O-])C(=O)OC[C@H]1COC(=O)O1	ZINC000819865492	597615447	/nfs/dbraw/zinc/61/54/47/597615447.db2.gz	LTDKLQGTPSMWFL-QUBYGPBYSA-N	-1	0	257.198	0.070	20	30		CCEDRM
C[C@@](C#N)(CC(=O)[O-])C(=O)N1CCC[C@H](CO)C1	ZINC000819811239	597632750	/nfs/dbraw/zinc/63/27/50/597632750.db2.gz	MIEYPLMIKMPDRD-CABZTGNLSA-N	-1	0	254.286	0.222	20	30		CCEDRM
C[C@H]([C@H](C)NC(=O)[C@@](C)(C#N)CC(=O)[O-])N1CCOCC1	ZINC000820114490	597644493	/nfs/dbraw/zinc/64/44/93/597644493.db2.gz	NXTGGQPJCGUDKB-MISXGVKJSA-N	-1	0	297.355	0.216	20	30		CCEDRM
C[C@](C#N)(CC(=O)[O-])C(=O)NCC[C@H](O)C(F)(F)F	ZINC000819834522	597652801	/nfs/dbraw/zinc/65/28/01/597652801.db2.gz	OCNAHNISFMRRKS-IMTBSYHQSA-N	-1	0	282.218	0.420	20	30		CCEDRM
C[C@H](CO)CCCNC(=O)[C@@](C)(C#N)CC(=O)[O-]	ZINC000820101787	597660018	/nfs/dbraw/zinc/66/00/18/597660018.db2.gz	GBEUPFQHMYNICR-JOYOIKCWSA-N	-1	0	256.302	0.516	20	30		CCEDRM
C[C@@H]1CN(C(=O)[C@@](C)(C#N)CC(=O)[O-])C[C@H](C)O1	ZINC000820244554	597662865	/nfs/dbraw/zinc/66/28/65/597662865.db2.gz	DYVLCDOVUWUEAV-VDDIYKPWSA-N	-1	0	254.286	0.627	20	30		CCEDRM
CS(=O)(=O)NCC(=NNCCC(=O)[O-])c1ccccc1	ZINC000820890700	597741344	/nfs/dbraw/zinc/74/13/44/597741344.db2.gz	NIRJDCAJYAELEV-UHFFFAOYSA-N	-1	0	299.352	0.004	20	30		CCEDRM
CC[C@H](C)OCC(=O)Nc1nc(C#N)c(-c2nn[nH]n2)[n-]1	ZINC000825075835	607780005	/nfs/dbraw/zinc/78/00/05/607780005.db2.gz	RDETUIDVMOJTNZ-LURJTMIESA-N	-1	0	290.287	0.215	20	30		CCEDRM
C[C@](C#N)(CC(=O)[O-])C(=O)NCc1cccc(C(N)=O)c1	ZINC000819842353	598223585	/nfs/dbraw/zinc/22/35/85/598223585.db2.gz	NPAYKIZOXUIRDD-CQSZACIVSA-N	-1	0	289.291	0.406	20	30		CCEDRM
Cc1noc(CCNC(=O)[C@@](C)(C#N)CC(=O)[O-])n1	ZINC000821235680	598226057	/nfs/dbraw/zinc/22/60/57/598226057.db2.gz	KHJHEFYNXZDNLE-LLVKDONJSA-N	-1	0	266.257	0.041	20	30		CCEDRM
C[C@](C#N)(CC(=O)[O-])C(=O)NCCCOC1CCOCC1	ZINC000819835168	598228364	/nfs/dbraw/zinc/22/83/64/598228364.db2.gz	SGCITQNRNDDBLF-CQSZACIVSA-N	-1	0	298.339	0.693	20	30		CCEDRM
C[C@](C#N)(CC(=O)[O-])C(=O)N[C@H]1CCC[C@@H](C(N)=O)C1	ZINC000819823053	598230597	/nfs/dbraw/zinc/23/05/97/598230597.db2.gz	RLOMPSLIRHGTJW-VYUIOLGVSA-N	-1	0	281.312	0.151	20	30		CCEDRM
C#CCO[N-]C(=O)CNC(=O)NCc1ccc(C)cc1	ZINC000855602891	612992103	/nfs/dbraw/zinc/99/21/03/612992103.db2.gz	FJAVCXUKFRYPMT-UHFFFAOYSA-N	-1	0	275.308	0.475	20	30		CCEDRM
C#CCO[C@@H](C)C(=O)NC1(CC(=O)[O-])CCCC1	ZINC000909709724	612995769	/nfs/dbraw/zinc/99/57/69/612995769.db2.gz	WYCHEQWTGNYIHZ-JTQLQIEISA-N	-1	0	253.298	0.928	20	30		CCEDRM
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C[C@H](CC#N)NS(=O)(=O)c1ccc(C(=O)[O-])o1	ZINC000050391969	599775102	/nfs/dbraw/zinc/77/51/02/599775102.db2.gz	MKWROCPBQOZGPZ-ZCFIWIBFSA-N	-1	0	258.255	0.558	20	30		CCEDRM
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CC(C)CN(CCC#N)S(=O)(=O)N(C)CCC(=O)[O-]	ZINC000088769769	601258797	/nfs/dbraw/zinc/25/87/97/601258797.db2.gz	KLMVWENUBDTUTR-UHFFFAOYSA-N	-1	0	291.373	0.509	20	30		CCEDRM
C[C@@](C#N)(NC(=O)CN1CC[C@@](F)(C(=O)[O-])C1)C1CC1	ZINC000825966977	601436574	/nfs/dbraw/zinc/43/65/74/601436574.db2.gz	PNVUJTQYDNSHDZ-STQMWFEESA-N	-1	0	283.303	0.293	20	30		CCEDRM
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C[C@H]1CN(S(=O)(=O)CCCCC#N)C[C@@H]1C(=O)[O-]	ZINC000828472236	601588715	/nfs/dbraw/zinc/58/87/15/601588715.db2.gz	PMJVTQPOFBPREA-UWVGGRQHSA-N	-1	0	274.342	0.663	20	30		CCEDRM
C[C@@H]1CN(S(=O)(=O)c2ccccc2C#N)C[C@@H]1C(=O)[O-]	ZINC000111252982	601590180	/nfs/dbraw/zinc/59/01/80/601590180.db2.gz	HTRKRIYRSQLYSQ-KOLCDFICSA-N	-1	0	294.332	0.899	20	30		CCEDRM
N#Cc1ccsc1C(=O)N[C@]1(C(=O)[O-])CCOC1	ZINC000833076593	601738591	/nfs/dbraw/zinc/73/85/91/601738591.db2.gz	JSBRKYRGQXXLBR-LLVKDONJSA-N	-1	0	266.278	0.593	20	30		CCEDRM
C[C@H]1CN(C(=O)Nc2nn(C)cc2C#N)C[C@@H]1C(=O)[O-]	ZINC000828384800	601797236	/nfs/dbraw/zinc/79/72/36/601797236.db2.gz	CGOVVBWBHQUYGF-CBAPKCEASA-N	-1	0	277.284	0.476	20	30		CCEDRM
C#CCNC(=O)[C@@H](C)OC(=O)[C@@H]1CCCCN1C(=O)[O-]	ZINC000823457167	612948861	/nfs/dbraw/zinc/94/88/61/612948861.db2.gz	VSPLKFKLNFDNKI-ZJUUUORDSA-N	-1	0	282.296	0.200	20	30		CCEDRM
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C#CCCCCNS(=O)(=O)c1cc(C(=O)[O-])n(C)c1	ZINC000229623120	602123728	/nfs/dbraw/zinc/12/37/28/602123728.db2.gz	UQPFOTHKJNOTRX-UHFFFAOYSA-N	-1	0	284.337	0.805	20	30		CCEDRM
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C[C@H](OC(=O)C#Cc1ccc2c(c1)OCO2)C(=O)[O-]	ZINC000820161769	602262254	/nfs/dbraw/zinc/26/22/54/602262254.db2.gz	SBOXZMSSHWZNHX-QMMMGPOBSA-N	-1	0	262.217	0.783	20	30		CCEDRM
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COc1cc(C=NNCCC(=O)[O-])ccc1OCC#N	ZINC000820764075	617179389	/nfs/dbraw/zinc/17/93/89/617179389.db2.gz	XNQZIWRKCOBZPO-UHFFFAOYSA-N	-1	0	277.280	0.996	20	30		CCEDRM
C[C@@H](CCNC(=O)Nc1ccn(CCC#N)n1)NC(=O)[O-]	ZINC000824793141	603334211	/nfs/dbraw/zinc/33/42/11/603334211.db2.gz	FHQUPMGUBZTZLW-VIFPVBQESA-N	-1	0	294.315	0.964	20	30		CCEDRM
N#Cc1cccc(CC(=O)NC2CN(C(=O)[O-])C2)c1	ZINC000831145843	603448554	/nfs/dbraw/zinc/44/85/54/603448554.db2.gz	CBHCVSBQJCCWND-UHFFFAOYSA-N	-1	0	259.265	0.579	20	30		CCEDRM
Cn1cc(C#N)cc1C(=O)NC(C)(C)CNC(=O)[O-]	ZINC000830985847	603517725	/nfs/dbraw/zinc/51/77/25/603517725.db2.gz	ZAEFWDULPTVLOZ-UHFFFAOYSA-N	-1	0	264.285	0.673	20	30		CCEDRM
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N#C[C@@H]1CN(C(=O)[O-])CCN1C(=O)COc1cccnc1	ZINC000831083213	603589001	/nfs/dbraw/zinc/58/90/01/603589001.db2.gz	XXPJBUGKBKQBHJ-SNVBAGLBSA-N	-1	0	290.279	0.175	20	30		CCEDRM
Cc1cccc(C(=O)N2CCN(C(=O)[O-])C[C@H]2C#N)n1	ZINC000830464855	603590616	/nfs/dbraw/zinc/59/06/16/603590616.db2.gz	DOUAYTDEMQPIMM-SNVBAGLBSA-N	-1	0	274.280	0.718	20	30		CCEDRM
Cc1c(C(=O)N2CCN(C(=O)[O-])C[C@@H]2C#N)cnn1C	ZINC000829851187	603590919	/nfs/dbraw/zinc/59/09/19/603590919.db2.gz	YKFQOSPPYZXSHV-VIFPVBQESA-N	-1	0	277.284	0.057	20	30		CCEDRM
Cc1cnc(C(=O)N2CCN(C(=O)[O-])C[C@H]2C#N)cn1	ZINC000830621117	603598413	/nfs/dbraw/zinc/59/84/13/603598413.db2.gz	ZVUKIQYPBHJTGG-SECBINFHSA-N	-1	0	275.268	0.113	20	30		CCEDRM
N#C[C@@H]1CN(C(=O)[O-])CCN1C(=O)COC1CCCC1	ZINC000831082349	603604343	/nfs/dbraw/zinc/60/43/43/603604343.db2.gz	LFBLMQSNRATURZ-SNVBAGLBSA-N	-1	0	281.312	0.660	20	30		CCEDRM
C[C@@H](CN(C)C(=O)[O-])C(=O)NC[C@H]1CCCN(CC#N)C1	ZINC000824855207	603914865	/nfs/dbraw/zinc/91/48/65/603914865.db2.gz	PMGROJCPRJXDLJ-NWDGAFQWSA-N	-1	0	296.371	0.584	20	30		CCEDRM
N#CC1(NC(=O)[C@@H]2CC[C@H](NC(=O)[O-])C2)CCOCC1	ZINC000831071021	603983026	/nfs/dbraw/zinc/98/30/26/603983026.db2.gz	WWBKTEKSGDPQHJ-ZJUUUORDSA-N	-1	0	281.312	0.612	20	30		CCEDRM
N#C[C@H]1CCC[C@@H]1NC(=O)[C@H]1CSCN1C(=O)[O-]	ZINC000831077191	604029973	/nfs/dbraw/zinc/02/99/73/604029973.db2.gz	XELHPJJWZORJNS-HRDYMLBCSA-N	-1	0	269.326	0.848	20	30		CCEDRM
N#C[C@H]1CN(C(=O)[O-])CCN1C(=O)/C=C\C1CCOCC1	ZINC000831076257	604067653	/nfs/dbraw/zinc/06/76/53/604067653.db2.gz	IUGNDFYITUVOGS-BIOMNHJASA-N	-1	0	293.323	0.684	20	30		CCEDRM
N#C[C@H](C(=O)NC1CC1)C(=O)[C@H]1CC[C@H](NC(=O)[O-])C1	ZINC000831063979	604221911	/nfs/dbraw/zinc/22/19/11/604221911.db2.gz	AIQQCHYDQZMSMS-HGNGGELXSA-N	-1	0	279.296	0.410	20	30		CCEDRM
Cn1nc2c(c1C(=O)N(CC#N)CC(=O)[O-])CCCC2	ZINC000833060965	604284559	/nfs/dbraw/zinc/28/45/59/604284559.db2.gz	ZTBTYWNDAQNTIJ-UHFFFAOYSA-N	-1	0	276.296	0.349	20	30		CCEDRM
N#Cc1cccc(CC(=O)N2CC[C@@H](NC(=O)[O-])C2)c1	ZINC000831145909	604471375	/nfs/dbraw/zinc/47/13/75/604471375.db2.gz	FAJPMZYCAWZNFA-GFCCVEGCSA-N	-1	0	273.292	0.969	20	30		CCEDRM
C[C@@H](OC(=O)CSCC#N)c1cn(CC(=O)[O-])nn1	ZINC000827839433	604677159	/nfs/dbraw/zinc/67/71/59/604677159.db2.gz	SKVQSMLVGROLIX-SSDOTTSWSA-N	-1	0	284.297	0.224	20	30		CCEDRM
N#CCCN(CCC#N)C(=O)C[C@@H]1CN(C(=O)[O-])CCO1	ZINC000831097044	604742216	/nfs/dbraw/zinc/74/22/16/604742216.db2.gz	CGZDIUZYSWAERU-LLVKDONJSA-N	-1	0	294.311	0.411	20	30		CCEDRM
N#CCN(C(=O)C[C@H]1CN(C(=O)[O-])CCO1)C1CC1	ZINC000831097450	604751741	/nfs/dbraw/zinc/75/17/41/604751741.db2.gz	JLHUKIRARJIBFV-JTQLQIEISA-N	-1	0	267.285	0.270	20	30		CCEDRM
N#C[C@@]1(NC(=O)C[C@@H]2CN(C(=O)[O-])CCO2)CCSC1	ZINC000831070764	604799246	/nfs/dbraw/zinc/79/92/46/604799246.db2.gz	RLXLZTLXPDHBSW-SKDRFNHKSA-N	-1	0	299.352	0.271	20	30		CCEDRM
C#CCNC(=O)[C@@H](C)OC(=O)c1cnccc1C(=O)[O-]	ZINC000825620081	604869651	/nfs/dbraw/zinc/86/96/51/604869651.db2.gz	VDPIGGJXCOSPEX-MRVPVSSYSA-N	-1	0	276.248	0.075	20	30		CCEDRM
C[C@H](C(N)=O)N(C)[C@@H](C(=O)[O-])c1cccc(C#N)c1	ZINC000833406669	604972398	/nfs/dbraw/zinc/97/23/98/604972398.db2.gz	DEIKILSNGKGTLG-LDYMZIIASA-N	-1	0	261.281	0.490	20	30		CCEDRM
C[C@@H](C(=O)[O-])n1cccc1C=NNC(=S)N(C)C	ZINC000833407120	605039935	/nfs/dbraw/zinc/03/99/35/605039935.db2.gz	RITXQVBRKQYYKS-QMMMGPOBSA-N	-1	0	268.342	0.904	20	30		CCEDRM
CC(C)[C@@H](C#N)OC(=O)[C@@H]1CN(C(=O)[O-])CCO1	ZINC000824054717	605069879	/nfs/dbraw/zinc/06/98/79/605069879.db2.gz	BXMBPSZUAGIOTJ-BDAKNGLRSA-N	-1	0	256.258	0.457	20	30		CCEDRM
CC(C)(C#N)CNS(=O)(=O)c1c[nH]c(C(=O)[O-])c1	ZINC000122195364	605084353	/nfs/dbraw/zinc/08/43/53/605084353.db2.gz	WMDYSJSDNXQNNP-UHFFFAOYSA-N	-1	0	271.298	0.541	20	30		CCEDRM
C#CCNS(=O)(=O)c1ccc(C)cc1C(=O)[O-]	ZINC000833364655	605192125	/nfs/dbraw/zinc/19/21/25/605192125.db2.gz	WFVSRLQAIDGJHG-UHFFFAOYSA-N	-1	0	253.279	0.605	20	30		CCEDRM
N#CCN1CCC(OC(=O)[C@H]2CC[C@@H](NC(=O)[O-])C2)CC1	ZINC000831102245	605269830	/nfs/dbraw/zinc/26/98/30/605269830.db2.gz	DBBBVJQYCPQWAV-WDEREUQCSA-N	-1	0	295.339	0.954	20	30		CCEDRM
C[C@@H](CC#N)NC(=O)CO[C@H]1CCCN(C(=O)[O-])C1	ZINC000824545314	605283092	/nfs/dbraw/zinc/28/30/92/605283092.db2.gz	WCGRVAWHSSOKDV-UWVGGRQHSA-N	-1	0	269.301	0.564	20	30		CCEDRM
N#C[C@@H]1CN(C(=O)CN(C(=O)[O-])c2ccccc2)CCO1	ZINC000831077301	605299455	/nfs/dbraw/zinc/29/94/55/605299455.db2.gz	YTHJWERYLIBZTC-GFCCVEGCSA-N	-1	0	289.291	0.922	20	30		CCEDRM
C[C@H](C#N)CNC(=O)C[C@H]1CSCCN1C(=O)[O-]	ZINC000823647784	605318649	/nfs/dbraw/zinc/31/86/49/605318649.db2.gz	NTVDBTZGHLMGQI-BDAKNGLRSA-N	-1	0	271.342	0.748	20	30		CCEDRM
C[C@H](C#N)CNC(=O)CO[C@@H]1CCCN(C(=O)[O-])C1	ZINC000823646853	605369417	/nfs/dbraw/zinc/36/94/17/605369417.db2.gz	HGVNGZYRLXXLMV-NXEZZACHSA-N	-1	0	269.301	0.421	20	30		CCEDRM
O=C([O-])N1CCC[C@H](C=NN2CCCNC2=O)C1	ZINC000834100380	605381626	/nfs/dbraw/zinc/38/16/26/605381626.db2.gz	SMWLZNBZITURLK-SECBINFHSA-N	-1	0	254.290	0.778	20	30		CCEDRM
N#CCCCS(=O)(=O)NC[C@@H]1CCN(C(=O)[O-])C1	ZINC000833965732	605427956	/nfs/dbraw/zinc/42/79/56/605427956.db2.gz	QEXSACYMXWNWTN-VIFPVBQESA-N	-1	0	275.330	0.209	20	30		CCEDRM
N#C[C@H]1COCCN1C(=O)CC[C@H]1CCN(C(=O)[O-])C1	ZINC000833966461	605481967	/nfs/dbraw/zinc/48/19/67/605481967.db2.gz	LCJKWASNOCPNIU-QWRGUYRKSA-N	-1	0	281.312	0.517	20	30		CCEDRM
N#Cc1ccc(C(=O)NC[C@H]2CCN(C(=O)[O-])C2)cn1	ZINC000833973260	605525137	/nfs/dbraw/zinc/52/51/37/605525137.db2.gz	MOLQFCOUTVMLRL-SECBINFHSA-N	-1	0	274.280	0.683	20	30		CCEDRM
C[C@@H]1C[C@@H](NC(=O)[O-])CCN1S(=O)(=O)CCCC#N	ZINC000825845899	605529954	/nfs/dbraw/zinc/52/99/54/605529954.db2.gz	RIWDBFXKFKCTCT-ZJUUUORDSA-N	-1	0	289.357	0.740	20	30		CCEDRM
C[C@@H]1CC(=NC(=O)c2cnc(C(=O)[O-])cn2)NO1	ZINC000833599957	605571201	/nfs/dbraw/zinc/57/12/01/605571201.db2.gz	IYXPWJQNVYQPLG-RXMQYKEDSA-N	-1	0	250.214	0.027	20	30		CCEDRM
C[C@H](CC#N)NC(=O)C[C@@H]1CSCCN1C(=O)[O-]	ZINC000824544144	605636526	/nfs/dbraw/zinc/63/65/26/605636526.db2.gz	NBHKHLIBHZIGON-RKDXNWHRSA-N	-1	0	271.342	0.890	20	30		CCEDRM
N#Cc1cc(COC(=O)[C@@H]2COCCN2C(=O)[O-])ccn1	ZINC000833970504	605652937	/nfs/dbraw/zinc/65/29/37/605652937.db2.gz	OVAGEHPRZWLPQZ-NSHDSACASA-N	-1	0	291.263	0.375	20	30		CCEDRM
N#CCN(C(=O)CO[C@H]1CCCN(C(=O)[O-])C1)C1CC1	ZINC000831097833	605666544	/nfs/dbraw/zinc/66/65/44/605666544.db2.gz	VPYBFBOBUVOWSN-NSHDSACASA-N	-1	0	281.312	0.660	20	30		CCEDRM
N#C[C@H]1CN(C(=O)[O-])C[C@@H]1NCC1(O)CCCC1	ZINC000833968962	605674679	/nfs/dbraw/zinc/67/46/79/605674679.db2.gz	YTYUINLQKHPMFH-UWVGGRQHSA-N	-1	0	253.302	0.383	20	30		CCEDRM
N#CCN(CC#N)C(=O)CO[C@H]1CCCN(C(=O)[O-])C1	ZINC000831097499	605682192	/nfs/dbraw/zinc/68/21/92/605682192.db2.gz	KBORWMLQXPEXOD-JTQLQIEISA-N	-1	0	280.284	0.021	20	30		CCEDRM
Cc1onc(CC(=O)NCCN(C)C(=O)[O-])c1C#N	ZINC000833936810	605693330	/nfs/dbraw/zinc/69/33/30/605693330.db2.gz	QMKRKBULGXLHIN-UHFFFAOYSA-N	-1	0	266.257	0.123	20	30		CCEDRM
Cc1onc(CC(=O)NCC2CN(C(=O)[O-])C2)c1C#N	ZINC000833935465	605699905	/nfs/dbraw/zinc/69/99/05/605699905.db2.gz	HDHZVODBJULUAT-UHFFFAOYSA-N	-1	0	278.268	0.123	20	30		CCEDRM
N#Cc1cc(-c2nc([C@@H]3COCCN3C(=O)[O-])no2)c[nH]1	ZINC000833970581	605718015	/nfs/dbraw/zinc/71/80/15/605718015.db2.gz	VWEHOIVRXCCVFY-VIFPVBQESA-N	-1	0	289.251	0.988	20	30		CCEDRM
O=C([O-])N1CC(CNC(=O)NCC#Cc2ccccc2)C1	ZINC000834018048	605728733	/nfs/dbraw/zinc/72/87/33/605728733.db2.gz	HVXXMXIHCPOPJY-UHFFFAOYSA-N	-1	0	287.319	0.947	20	30		CCEDRM
C[C@]1(C(=O)OCC(=O)NCCC#N)CCCN1C(=O)[O-]	ZINC000833822616	605730333	/nfs/dbraw/zinc/73/03/33/605730333.db2.gz	SNIQIBFPSHPFCX-GFCCVEGCSA-N	-1	0	283.284	0.092	20	30		CCEDRM
N#Cc1cccc(NC(=O)[C@H](CC(N)=O)NC(=O)[O-])c1	ZINC000833977153	605767177	/nfs/dbraw/zinc/76/71/77/605767177.db2.gz	VUHMXJKAXXFTNW-VIFPVBQESA-N	-1	0	276.252	0.008	20	30		CCEDRM
N#CC1(COC(=O)[C@H]2CN(C(=O)[O-])CCO2)CCOCC1	ZINC000833965010	605781876	/nfs/dbraw/zinc/78/18/76/605781876.db2.gz	XHKUEUXDKIPWIV-SNVBAGLBSA-N	-1	0	298.295	0.229	20	30		CCEDRM
C[C@H](C(=O)Nc1cccc(C#N)c1)N(C)CC(=O)[O-]	ZINC000819883451	605807535	/nfs/dbraw/zinc/80/75/35/605807535.db2.gz	XKUDJCAMDDAVMF-SECBINFHSA-N	-1	0	261.281	0.902	20	30		CCEDRM
N#Cc1cnc(C(=O)NCCNC(=O)[O-])c(Cl)c1	ZINC000831156687	605875350	/nfs/dbraw/zinc/87/53/50/605875350.db2.gz	GXTYWGJSRNEEQH-UHFFFAOYSA-N	-1	0	268.660	0.604	20	30		CCEDRM
N#CCC1CCN(C(=O)NCC2CN(C(=O)[O-])C2)CC1	ZINC000833969955	605911641	/nfs/dbraw/zinc/91/16/41/605911641.db2.gz	YZHXIAGMGAOIKE-UHFFFAOYSA-N	-1	0	280.328	0.931	20	30		CCEDRM
C[C@H](CNC(=O)[O-])CNC(=O)NCC(C)(C)C#N	ZINC000833806219	605916518	/nfs/dbraw/zinc/91/65/18/605916518.db2.gz	CWWYZCZUHPASCF-QMMMGPOBSA-N	-1	0	256.306	0.739	20	30		CCEDRM
CCN(CCC#N)CN1C[C@@H](NC(=O)[O-])CC1=O	ZINC000833857356	605992683	/nfs/dbraw/zinc/99/26/83/605992683.db2.gz	IQWDCABFFUILJC-VIFPVBQESA-N	-1	0	254.290	0.048	20	30		CCEDRM
C#CCCS(=O)(=O)[N-]C(=O)[C@@H](C)c1c(C)nn(C)c1C	ZINC000810782950	613052943	/nfs/dbraw/zinc/05/29/43/613052943.db2.gz	YDOPOKUTZGSLMZ-VIFPVBQESA-N	-1	0	297.380	0.610	20	30		CCEDRM
C#CCCS(=O)(=O)[N-]C(=O)Cc1ccc(OC)c(F)c1	ZINC000791111779	613053018	/nfs/dbraw/zinc/05/30/18/613053018.db2.gz	ZBRXIXWGWACECX-UHFFFAOYSA-N	-1	0	299.323	0.846	20	30		CCEDRM
N#CC(C(=O)N1CCCC1)=C([O-])c1ccc(-c2nn[nH]n2)[nH]1	ZINC000826379458	607776625	/nfs/dbraw/zinc/77/66/25/607776625.db2.gz	SDKBFSMBTYEKMH-MRVPVSSYSA-N	-1	0	299.294	0.140	20	30		CCEDRM
CC[C@@H](C)OCC(=O)Nc1nc(C#N)c(-c2nn[nH]n2)[n-]1	ZINC000825075836	607780149	/nfs/dbraw/zinc/78/01/49/607780149.db2.gz	RDETUIDVMOJTNZ-ZCFIWIBFSA-N	-1	0	290.287	0.215	20	30		CCEDRM
C#CCn1ccc(CN(CC)C(=O)[C@H](C)CC(=O)[O-])n1	ZINC000911721963	613078510	/nfs/dbraw/zinc/07/85/10/613078510.db2.gz	VECDBANIGNMHAV-LLVKDONJSA-N	-1	0	277.324	0.976	20	30		CCEDRM
C#CCN(C/C=C(/C)C(=O)[O-])[C@@H]1CCS(=O)(=O)C1	ZINC000825614305	613097786	/nfs/dbraw/zinc/09/77/86/613097786.db2.gz	LIUPPKZZSIFFGZ-NEOSZVFXSA-N	-1	0	271.338	0.140	20	30		CCEDRM
CC(C)(C)OCC(=O)Nc1nc(C#N)c(-c2nn[nH]n2)[n-]1	ZINC000824119249	609404405	/nfs/dbraw/zinc/40/44/05/609404405.db2.gz	DQTJTRIRVAVIQC-UHFFFAOYSA-N	-1	0	290.287	0.215	20	30		CCEDRM
C#CCN(CC(=O)[O-])S(=O)(=O)CCCC(F)(F)F	ZINC000214885981	613103556	/nfs/dbraw/zinc/10/35/56/613103556.db2.gz	QALPYTDSWRLNPU-UHFFFAOYSA-N	-1	0	287.259	0.679	20	30		CCEDRM
C=C(Cl)C[C@@H](NS(=O)(=O)C[C@@H](C)OC)C(=O)[O-]	ZINC000871996657	613388681	/nfs/dbraw/zinc/38/86/81/613388681.db2.gz	SOWNXKXPAZZZRK-HTQZYQBOSA-N	-1	0	285.749	0.537	20	30		CCEDRM
C#CC1(O)CN(S(=O)(=O)c2cccc(Cl)c2[O-])C1	ZINC000908229250	612962141	/nfs/dbraw/zinc/96/21/41/612962141.db2.gz	BBYICDKKMFAQKT-UHFFFAOYSA-N	-1	0	287.724	0.414	20	30		CCEDRM
C#CCC(C)(C)C(=O)[N-]S(=O)(=O)c1cnccn1	ZINC000810628054	612966146	/nfs/dbraw/zinc/96/61/46/612966146.db2.gz	SWROXWQAZJVEJL-UHFFFAOYSA-N	-1	0	267.310	0.331	20	30		CCEDRM
C=CCS(=O)(=O)[N-]C(=O)[C@@]12C[C@@H]1COC2(C)C	ZINC000850912834	613886174	/nfs/dbraw/zinc/88/61/74/613886174.db2.gz	HUCOQZAEJWBXNQ-LDYMZIIASA-N	-1	0	259.327	0.434	20	30		CCEDRM
C=CCOC[C@H](NC(=O)NCCC(F)(F)F)C(=O)[O-]	ZINC000908773200	613882384	/nfs/dbraw/zinc/88/23/84/613882384.db2.gz	DGZVIQRVRXILTC-ZETCQYMHSA-N	-1	0	284.234	0.894	20	30		CCEDRM
C=CCOC[C@H](NC(=O)[C@H]1CCCS1)C(=O)[O-]	ZINC000909770331	613882512	/nfs/dbraw/zinc/88/25/12/613882512.db2.gz	FKTOIQSBQRYLRX-DTWKUNHWSA-N	-1	0	259.327	0.654	20	30		CCEDRM
CC(C)(C)[S@@](C)(=O)=NS(=O)(=O)[N-]C1(C#N)CC1	ZINC000906059845	614044686	/nfs/dbraw/zinc/04/46/86/614044686.db2.gz	AFHAZEUHBMOIGN-MRXNPFEDSA-N	-1	0	279.387	0.773	20	30		CCEDRM
CC(C)(C)[S@](=O)CCNC(=O)[C@@](C)(C#N)CC(=O)[O-]	ZINC000819841936	614045603	/nfs/dbraw/zinc/04/56/03/614045603.db2.gz	HFYHDUFKNXWDEQ-CWTRNNRKSA-N	-1	0	288.369	0.654	20	30		CCEDRM
CC(C)(C)[S@](C)(=O)=NS(=O)(=O)[N-]CCC#N	ZINC000872479934	614045956	/nfs/dbraw/zinc/04/59/56/614045956.db2.gz	RDPKVQVNTHNEBS-HNNXBMFYSA-N	-1	0	267.376	0.631	20	30		CCEDRM
CC(C)[C@@H](C#N)NC(=O)CN1CCC(NC(=O)[O-])CC1	ZINC000824057413	614072271	/nfs/dbraw/zinc/07/22/71/614072271.db2.gz	RCAUFJBVWYSAHK-LLVKDONJSA-N	-1	0	282.344	0.383	20	30		CCEDRM
CC(C)[C@@H](CNC(=O)C(=O)N1CCC(C#N)CC1)C(=O)[O-]	ZINC000848610215	614095150	/nfs/dbraw/zinc/09/51/50/614095150.db2.gz	RUEXIOXKUJPUAY-LLVKDONJSA-N	-1	0	295.339	0.222	20	30		CCEDRM
CC(C)(CNS(=O)(=O)c1ccc(C#N)nc1)NC(=O)[O-]	ZINC000824011485	614113118	/nfs/dbraw/zinc/11/31/18/614113118.db2.gz	OZMPUZIZLUZJAY-UHFFFAOYSA-N	-1	0	298.324	0.278	20	30		CCEDRM
CC(C)CS(=O)(=O)N1CCC(C#CC(=O)[O-])CC1	ZINC000844820225	614177260	/nfs/dbraw/zinc/17/72/60/614177260.db2.gz	YSAMHMKDDZYROR-UHFFFAOYSA-N	-1	0	273.354	0.772	20	30		CCEDRM
C#CCCCCC(=O)O[C@@H](C)C(=O)NCC(=O)[O-]	ZINC000833362607	612975944	/nfs/dbraw/zinc/97/59/44/612975944.db2.gz	AMUNETFZWVGRFX-VIFPVBQESA-N	-1	0	255.270	0.313	20	30		CCEDRM
COc1ccc(C(=O)N2CCN(C(=O)[O-])C[C@@H]2C#N)cn1	ZINC000829277501	617223847	/nfs/dbraw/zinc/22/38/47/617223847.db2.gz	SVAQBKRSUWCIGB-JTQLQIEISA-N	-1	0	290.279	0.418	20	30		CCEDRM
C#CCOCCC(=O)N1CC[C@H](OC)C[C@@H]1C(=O)[O-]	ZINC000833364893	612978396	/nfs/dbraw/zinc/97/83/96/612978396.db2.gz	YTOHPVQZGYZMAS-WDEREUQCSA-N	-1	0	269.297	0.117	20	30		CCEDRM
CSC[C@H](NC(=O)C1(C#N)CC(C)C1)C(=O)[O-]	ZINC000923102962	617254255	/nfs/dbraw/zinc/25/42/55/617254255.db2.gz	AJKQYMSLMGODCQ-KAIZJQOQSA-N	-1	0	256.327	0.859	20	30		CCEDRM
COc1cccc(C(=O)[N-]S(=O)(=O)CCC#N)c1	ZINC000821584309	617292238	/nfs/dbraw/zinc/29/22/38/617292238.db2.gz	YBWRJPUGDQWEGU-UHFFFAOYSA-N	-1	0	268.294	0.668	20	30		CCEDRM
C[C@@H](C#N)CNC(=O)c1ccc(CNC(=O)[O-])o1	ZINC000823648834	617296133	/nfs/dbraw/zinc/29/61/33/617296133.db2.gz	XUBOGPOXLQMLKY-ZETCQYMHSA-N	-1	0	251.242	0.937	20	30		CCEDRM
C#CCCCNC(=O)CCCn1ccc(C(=O)[O-])n1	ZINC000911402239	612980982	/nfs/dbraw/zinc/98/09/82/612980982.db2.gz	VDEPYTJMZBBYBE-UHFFFAOYSA-N	-1	0	263.297	0.891	20	30		CCEDRM
C#CCCCNC(=O)N1CCC[C@@H]1CNC(=O)[O-]	ZINC000823444138	612981524	/nfs/dbraw/zinc/98/15/24/612981524.db2.gz	DWFZTUVVCVQFIJ-SNVBAGLBSA-N	-1	0	253.302	0.841	20	30		CCEDRM
C#CCOCCOC(=O)[C@H]1CC[C@@H](NC(=O)[O-])C1	ZINC000823463215	612990832	/nfs/dbraw/zinc/99/08/32/612990832.db2.gz	JXKIYTGFZDLIKC-VHSXEESVSA-N	-1	0	255.270	0.616	20	30		CCEDRM
C#CCO[N-]C(=O)Cc1csc(N2CCOCC2)n1	ZINC000855606702	612992378	/nfs/dbraw/zinc/99/23/78/612992378.db2.gz	ODWYBIKJLNEJIL-UHFFFAOYSA-N	-1	0	281.337	0.203	20	30		CCEDRM
C#CCO[N-]C(=O)[C@@H]1CCCN(C(C)(C)C)C1=O	ZINC000897811362	612992679	/nfs/dbraw/zinc/99/26/79/612992679.db2.gz	AAVBTMZIONNFLP-JTQLQIEISA-N	-1	0	252.314	0.705	20	30		CCEDRM
C#CCO[N-]C(=O)[C@H]1CCCCN1S(=O)(=O)CCC	ZINC000812782713	612992887	/nfs/dbraw/zinc/99/28/87/612992887.db2.gz	FMRXSJWSKIDIAX-LLVKDONJSA-N	-1	0	288.369	0.262	20	30		CCEDRM
C#CCO[N-]C(=O)[C@H]1CCCN(C(C)(C)C)C1=O	ZINC000897811363	612993111	/nfs/dbraw/zinc/99/31/11/612993111.db2.gz	AAVBTMZIONNFLP-SNVBAGLBSA-N	-1	0	252.314	0.705	20	30		CCEDRM
C#CCO[N-]C(=O)[C@H]1CSCN1C(=O)OC(C)(C)C	ZINC000855603552	612993294	/nfs/dbraw/zinc/99/32/94/612993294.db2.gz	RWUGRLIIZPBOCR-SECBINFHSA-N	-1	0	286.353	0.977	20	30		CCEDRM
C#CCO[C@@H](C)C(=O)N(CC(=O)[O-])C1CCOCC1	ZINC000909023300	612994124	/nfs/dbraw/zinc/99/41/24/612994124.db2.gz	XPPIMYWEGXHWPD-JTQLQIEISA-N	-1	0	269.297	0.117	20	30		CCEDRM
C#CCO[C@H](C)C(=O)N[C@]1(C(=O)[O-])C[C@H](OCC)C1(C)C	ZINC000909599955	613003722	/nfs/dbraw/zinc/00/37/22/613003722.db2.gz	FETKCJJGYCHVCE-ZETOZRRWSA-N	-1	0	297.351	0.799	20	30		CCEDRM
C#CCOc1ccc(F)cc1NC(=O)C(=O)[N-]OC	ZINC000134759051	613006528	/nfs/dbraw/zinc/00/65/28/613006528.db2.gz	SKMGKNAPTPWCTM-UHFFFAOYSA-N	-1	0	266.228	0.454	20	30		CCEDRM
C#CCCN1CCN(C(=O)[C@@H](CC)C(=O)[O-])CC1	ZINC000911251602	613009680	/nfs/dbraw/zinc/00/96/80/613009680.db2.gz	CKXZSJQRDKHYRK-LLVKDONJSA-N	-1	0	252.314	0.265	20	30		CCEDRM
C#CC[C@@H](CO)NC(=O)CC1CCC(C(=O)[O-])CC1	ZINC000911395082	613023726	/nfs/dbraw/zinc/02/37/26/613023726.db2.gz	KJHFTESPRDCVDQ-MCIGGMRASA-N	-1	0	267.325	0.768	20	30		CCEDRM
C#CC[C@@H](CO)NC(=O)CSc1n[n-]c(=S)s1	ZINC000854545597	613024139	/nfs/dbraw/zinc/02/41/39/613024139.db2.gz	MELRLFVFOSYOEJ-LURJTMIESA-N	-1	0	289.407	0.419	20	30		CCEDRM
C#CC[C@@H](CO)NC(=O)c1cccc(OCC(=O)[O-])c1	ZINC000911396135	613029345	/nfs/dbraw/zinc/02/93/45/613029345.db2.gz	XZYLOIPODDAXQA-NSHDSACASA-N	-1	0	277.276	0.264	20	30		CCEDRM
C#CC[C@@H](NC(=O)CCCOc1cccnc1)C(=O)[O-]	ZINC000910051045	613039807	/nfs/dbraw/zinc/03/98/07/613039807.db2.gz	RDXXTTNAMKAURS-GFCCVEGCSA-N	-1	0	276.292	0.833	20	30		CCEDRM
C#CC[C@@H](NC(=O)[C@@H]1C[C@H]1OC(C)(C)C)C(=O)[O-]	ZINC000910046935	613041069	/nfs/dbraw/zinc/04/10/69/613041069.db2.gz	UNJTWNUJSLEMLC-OPRDCNLKSA-N	-1	0	253.298	0.783	20	30		CCEDRM
C#CC[C@@H](NC(=O)[C@H](OC)C1CCCC1)C(=O)[O-]	ZINC000910046337	613041193	/nfs/dbraw/zinc/04/11/93/613041193.db2.gz	MUQDEOMMYOBALT-GHMZBOCLSA-N	-1	0	253.298	0.784	20	30		CCEDRM
C#CCCNS(=O)(=O)c1cccc(C)c1-c1nn[nH]n1	ZINC000823844711	613048140	/nfs/dbraw/zinc/04/81/40/613048140.db2.gz	HDMFLZOMIARKGI-UHFFFAOYSA-N	-1	0	291.336	0.477	20	30		CCEDRM
C#CCCS(=O)(=O)[N-]C(=O)Cc1ccccc1F	ZINC000791111238	613053057	/nfs/dbraw/zinc/05/30/57/613053057.db2.gz	RCZHJTSREJHGQG-UHFFFAOYSA-N	-1	0	269.297	0.838	20	30		CCEDRM
C#CC[C@H](NC(=O)CCc1cccc2c1OCO2)C(=O)[O-]	ZINC000910050070	613067866	/nfs/dbraw/zinc/06/78/66/613067866.db2.gz	DUHVVVUPVVFLCC-NSHDSACASA-N	-1	0	289.287	0.941	20	30		CCEDRM
C#CC[C@H](NC(=O)Cc1cc(CC)nn1C)C(=O)[O-]	ZINC000910048965	613068002	/nfs/dbraw/zinc/06/80/02/613068002.db2.gz	QBYGLNADXWVHOA-NSHDSACASA-N	-1	0	263.297	0.118	20	30		CCEDRM
C#CC[C@H](NC(=O)C[C@H](O)CC(C)(C)C)C(=O)[O-]	ZINC000910051054	613068016	/nfs/dbraw/zinc/06/80/16/613068016.db2.gz	RHLYNGTYMWJYCQ-UWVGGRQHSA-N	-1	0	255.314	0.766	20	30		CCEDRM
C#CC[C@H](NC(=O)Cn1nc(C)c2cccnc21)C(=O)[O-]	ZINC000910048124	613068243	/nfs/dbraw/zinc/06/82/43/613068243.db2.gz	DYZCKANSBVDBCN-NSHDSACASA-N	-1	0	286.291	0.332	20	30		CCEDRM
C#CC[C@H](NC(=O)[C@](C)(C=C)CCOC)C(=O)[O-]	ZINC000910048194	613069665	/nfs/dbraw/zinc/06/96/65/613069665.db2.gz	GRIDYXNSWRCPDU-GXFFZTMASA-N	-1	0	253.298	0.808	20	30		CCEDRM
C#CC[C@H](NC(=O)c1cc(C2CC2)nn1CC)C(=O)[O-]	ZINC000910047950	613069980	/nfs/dbraw/zinc/06/99/80/613069980.db2.gz	AOZYRZOEFRHEKF-JTQLQIEISA-N	-1	0	275.308	0.987	20	30		CCEDRM
C#CC[C@H](NC(=O)c1ccc(N2CCCC2)nc1)C(=O)[O-]	ZINC000910052284	613070109	/nfs/dbraw/zinc/07/01/09/613070109.db2.gz	SCKQFLCZWCVITH-LBPRGKRZSA-N	-1	0	287.319	0.888	20	30		CCEDRM
C#CC[C@H](NC(=O)c1cn2c(n1)C[C@@H](C)CC2)C(=O)[O-]	ZINC000910048599	613070400	/nfs/dbraw/zinc/07/04/00/613070400.db2.gz	NIRZCOKRYLTCKM-UWVGGRQHSA-N	-1	0	275.308	0.672	20	30		CCEDRM
C#CCn1ccc(CN(CC)C(=O)[C@@H]2C[C@@H]2C(=O)[O-])n1	ZINC000911719998	613078623	/nfs/dbraw/zinc/07/86/23/613078623.db2.gz	LCYVULMZHUMUMY-NEPJUHHUSA-N	-1	0	275.308	0.586	20	30		CCEDRM
C#C[C@@H](C)N(C)S(=O)(=O)c1ccc(CC(=O)[O-])cc1	ZINC000926537043	613079864	/nfs/dbraw/zinc/07/98/64/613079864.db2.gz	JDLVRXOHGOTXSN-SNVBAGLBSA-N	-1	0	281.333	0.956	20	30		CCEDRM
C#C[C@@H](C)NS(=O)(=O)N=[S@](C)(=O)C(C)(C)C	ZINC000872480737	613082467	/nfs/dbraw/zinc/08/24/67/613082467.db2.gz	XKGBLGKAVSJFOE-ANRSDYALSA-N	-1	0	266.388	0.739	20	30		CCEDRM
C#C[C@@H](CO)NC(=O)CC1CCC(C(=O)[O-])CC1	ZINC000911611143	613086258	/nfs/dbraw/zinc/08/62/58/613086258.db2.gz	JJALAAVHIGXHOM-ILDUYXDCSA-N	-1	0	253.298	0.378	20	30		CCEDRM
C#CCN(CC#C)C(=O)CN(C[C@H]1CCCO1)C(=O)[O-]	ZINC000823451298	613098655	/nfs/dbraw/zinc/09/86/55/613098655.db2.gz	RXPWPLQJYCBFMF-GFCCVEGCSA-N	-1	0	278.308	0.240	20	30		CCEDRM
C#CCN(CC(=O)[O-])S(=O)(=O)Cc1cccc(C)c1	ZINC000849219364	613103593	/nfs/dbraw/zinc/10/35/93/613103593.db2.gz	REQZYBYWJCPAAF-UHFFFAOYSA-N	-1	0	281.333	0.845	20	30		CCEDRM
C#CCN(CC(=O)[O-])S(=O)(=O)c1ccc2c(c1)COC2	ZINC000849219209	613103599	/nfs/dbraw/zinc/10/35/99/613103599.db2.gz	MMHSRHYBRGVXBY-UHFFFAOYSA-N	-1	0	295.316	0.425	20	30		CCEDRM
C#C[C@H]1CC[C@H](NC(=O)[C@@H]2CC[C@@H](C(=O)[O-])O2)CC1	ZINC000873004497	613108520	/nfs/dbraw/zinc/10/85/20/613108520.db2.gz	KWNCQAMATCUGEP-BJDJZHNGSA-N	-1	0	265.309	0.927	20	30		CCEDRM
C#C[C@@H]1COCCN1S(=O)(=O)c1ccccc1[O-]	ZINC000849400575	613112457	/nfs/dbraw/zinc/11/24/57/613112457.db2.gz	VVGIHKJQVXAHOW-SNVBAGLBSA-N	-1	0	267.306	0.415	20	30		CCEDRM
C#C[C@H](NC(=O)C12CC(C(=O)[O-])(C1)C2)C1CCOCC1	ZINC000911794680	613132622	/nfs/dbraw/zinc/13/26/22/613132622.db2.gz	ZRBHQAONIODKSB-QGLTVNCISA-N	-1	0	277.320	0.786	20	30		CCEDRM
C#C[C@H](NC(=O)c1cc(C(=O)[O-])ccn1)C1CCOCC1	ZINC000911788723	613148541	/nfs/dbraw/zinc/14/85/41/613148541.db2.gz	DQSHXRIBAAMWRG-LBPRGKRZSA-N	-1	0	288.303	0.938	20	30		CCEDRM
C#C[C@H]1CCCCN1C(=O)CCCn1c(=O)[n-][nH]c1=O	ZINC000890657767	613153743	/nfs/dbraw/zinc/15/37/43/613153743.db2.gz	XCYLKLMKTLWVCC-JTQLQIEISA-N	-1	0	278.312	0.484	20	30		CCEDRM
C#Cc1ccc(C(=O)N(C)[C@@H](COCC)C(=O)[O-])cn1	ZINC000825636478	613166056	/nfs/dbraw/zinc/16/60/56/613166056.db2.gz	LGJOLZTXMHQIKG-LBPRGKRZSA-N	-1	0	276.292	0.625	20	30		CCEDRM
C#Cc1cccc(CNC(=O)C(=O)NCCCC(=O)[O-])c1	ZINC000817115494	613199083	/nfs/dbraw/zinc/19/90/83/613199083.db2.gz	RBPRJBDDMPTQEC-UHFFFAOYSA-N	-1	0	288.303	0.265	20	30		CCEDRM
C#Cc1cccc(NC(=O)N2C[C@H](O)C[C@H]2C(=O)[O-])c1	ZINC000040521982	613204312	/nfs/dbraw/zinc/20/43/12/613204312.db2.gz	LEHLGLHLBONTBY-NEPJUHHUSA-N	-1	0	274.276	0.720	20	30		CCEDRM
C#Cc1ccccc1CC(=O)NCc1n[nH]c(=O)[n-]1	ZINC000810468638	613206336	/nfs/dbraw/zinc/20/63/36/613206336.db2.gz	HLCYZTPEALIVDD-UHFFFAOYSA-N	-1	0	256.265	0.351	20	30		CCEDRM
C#Cc1cncc(C(=O)NC2(CC(=O)[O-])CCOCC2)c1	ZINC000909053062	613215814	/nfs/dbraw/zinc/21/58/14/613215814.db2.gz	FLQBYWXZZXVBRE-UHFFFAOYSA-N	-1	0	288.303	0.817	20	30		CCEDRM
C#Cc1cncc(C(=O)NCCCc2n[nH]c(=O)[n-]2)c1	ZINC000806974492	613216329	/nfs/dbraw/zinc/21/63/29/613216329.db2.gz	KUEZOXQKXOQQSA-UHFFFAOYSA-N	-1	0	271.280	0.249	20	30		CCEDRM
C#Cc1cncc(C(=O)N[C@@](C)(COC)C(=O)[O-])c1	ZINC000909364223	613220670	/nfs/dbraw/zinc/22/06/70/613220670.db2.gz	DEVNMXWRYGTFEH-ZDUSSCGKSA-N	-1	0	262.265	0.282	20	30		CCEDRM
C=C(C)CN(CC)C(=O)[C@H](C)OC(=O)[C@H](C)NC(=O)[O-]	ZINC000833369465	613293894	/nfs/dbraw/zinc/29/38/94/613293894.db2.gz	ZSFQXLKDVNDBKG-UWVGGRQHSA-N	-1	0	286.328	0.999	20	30		CCEDRM
C=C(C)CN1CC(N(CC)C(=O)c2n[nH]c(=O)[n-]c2=O)C1	ZINC000950766355	613298120	/nfs/dbraw/zinc/29/81/20/613298120.db2.gz	BABCWROQDZHXBQ-UHFFFAOYSA-N	-1	0	293.327	0.005	20	30		CCEDRM
C=C(C)CO[N-]C(=O)C(=O)Nc1ccc(N(C)C)nc1	ZINC000846150976	613352423	/nfs/dbraw/zinc/35/24/23/613352423.db2.gz	QULIOEYZIIURTL-UHFFFAOYSA-N	-1	0	278.312	0.710	20	30		CCEDRM
C=C(C)CO[N-]C(=O)CNS(=O)(=O)c1ccc(C)cc1	ZINC000846540614	613352444	/nfs/dbraw/zinc/35/24/44/613352444.db2.gz	DAJGFMMBUHVZBO-UHFFFAOYSA-N	-1	0	298.364	0.897	20	30		CCEDRM
C=C(C)CS(=O)(=O)N[C@H]1CCO[C@@](C)(C(=O)[O-])C1	ZINC000906009272	613354363	/nfs/dbraw/zinc/35/43/63/613354363.db2.gz	LHHCEIVRQXDXSW-GXSJLCMTSA-N	-1	0	277.342	0.504	20	30		CCEDRM
C=C(C)C[C@@H](NC(=O)NCCO[C@H]1CCOC1)C(=O)[O-]	ZINC000929017023	613355820	/nfs/dbraw/zinc/35/58/20/613355820.db2.gz	MGHZIKJHMXBROC-WDEREUQCSA-N	-1	0	286.328	0.511	20	30		CCEDRM
C=C(C)C[C@@H](NC(=O)N[C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@H]12)C(=O)[O-]	ZINC000900298346	613355835	/nfs/dbraw/zinc/35/58/35/613355835.db2.gz	TVXMXFUSCYSRKS-MCNAKINOSA-N	-1	0	280.324	0.881	20	30		CCEDRM
C=C(C)C[C@@H](NC(=O)Cc1ccn(C)n1)C(=O)[O-]	ZINC000910291183	613355867	/nfs/dbraw/zinc/35/58/67/613355867.db2.gz	GACOQVMLYTXKQG-SNVBAGLBSA-N	-1	0	251.286	0.498	20	30		CCEDRM
C=C(C)C[C@@H](NC(=O)[C@@H]1CCc2nnn(C)c2C1)C(=O)[O-]	ZINC000910294943	613355986	/nfs/dbraw/zinc/35/59/86/613355986.db2.gz	SDHJEIUTVHRFGT-MWLCHTKSSA-N	-1	0	292.339	0.456	20	30		CCEDRM
C=C(C)C[C@@H](NS(=O)(=O)[C@H]1CCOC1)C(=O)OCC	ZINC000882644971	613356874	/nfs/dbraw/zinc/35/68/74/613356874.db2.gz	UBDYREHCQJNDDV-WDEREUQCSA-N	-1	0	291.369	0.593	20	30		CCEDRM
C=C(C)C[C@H](NC(=O)[C@@H](C)N1CCSCC1)C(=O)[O-]	ZINC000910292740	613358863	/nfs/dbraw/zinc/35/88/63/613358863.db2.gz	IBKWNOBXQBYFHO-MNOVXSKESA-N	-1	0	286.397	0.959	20	30		CCEDRM
C=C(C)C[C@H](NC(=O)c1cc(OC)no1)C(=O)[O-]	ZINC000864187188	613359133	/nfs/dbraw/zinc/35/91/33/613359133.db2.gz	GNGUDPIIQJBJNK-ZETCQYMHSA-N	-1	0	254.242	0.832	20	30		CCEDRM
C=C(C)[C@H](CC(=O)NC1CN(C(=O)[O-])C1)OCC	ZINC000833367808	613362293	/nfs/dbraw/zinc/36/22/93/613362293.db2.gz	WBTGHWIYPPMCKQ-JTQLQIEISA-N	-1	0	256.302	0.836	20	30		CCEDRM
C=C(C)[C@H]1OCC[C@H]1C(=O)N1CC[C@](OC)(C(=O)[O-])C1	ZINC000910218451	613362899	/nfs/dbraw/zinc/36/28/99/613362899.db2.gz	HYRBIEGXEZDTMR-JTNHKYCSSA-N	-1	0	283.324	0.670	20	30		CCEDRM
C=C(Cl)CN1c2c(cnn2C)C([O-])=CS1(=O)=O	ZINC000902833743	613383531	/nfs/dbraw/zinc/38/35/31/613383531.db2.gz	KDAAVBYSPCVKHA-UHFFFAOYSA-N	-1	0	275.717	0.505	20	30		CCEDRM
C=C(Cl)C[C@@H](NC(=O)C1=NN(C)C(=O)CC1)C(=O)[O-]	ZINC000864184985	613388384	/nfs/dbraw/zinc/38/83/84/613388384.db2.gz	ZMBGIVYEPVPPMV-MRVPVSSYSA-N	-1	0	287.703	0.307	20	30		CCEDRM
C=C(Cl)C[C@@H](NC(=O)CN1CSCC1=O)C(=O)[O-]	ZINC000864181546	613388431	/nfs/dbraw/zinc/38/84/31/613388431.db2.gz	CWCBGAKBOZYAIP-SSDOTTSWSA-N	-1	0	292.744	0.231	20	30		CCEDRM
C=C(Cl)C[C@@H](NC(=O)c1cn(C)nn1)C(=O)[O-]	ZINC000910271123	613388717	/nfs/dbraw/zinc/38/87/17/613388717.db2.gz	MZGITQDNRLHUMI-ZCFIWIBFSA-N	-1	0	258.665	0.141	20	30		CCEDRM
C=CCS(=O)(=O)[N-]C(=O)c1conc1C1CC1	ZINC000810643100	613394766	/nfs/dbraw/zinc/39/47/66/613394766.db2.gz	GRCUIIPOXRPBPK-UHFFFAOYSA-N	-1	0	256.283	0.798	20	30		CCEDRM
C=CC[C@H](CO)CNC(=O)c1cccc(C(=O)[O-])n1	ZINC000833369821	613416210	/nfs/dbraw/zinc/41/62/10/613416210.db2.gz	FUADIZMKRHETAM-VIFPVBQESA-N	-1	0	264.281	0.694	20	30		CCEDRM
C=CCn1cc(C(=O)N(CCC)[C@H](C)C(=O)[O-])nn1	ZINC000911708778	613425764	/nfs/dbraw/zinc/42/57/64/613425764.db2.gz	RJAWLBQVOKHQMI-SECBINFHSA-N	-1	0	266.301	0.789	20	30		CCEDRM
C=CCn1cc(C(=O)N[C@]2(CC(=O)[O-])CCCOC2)nn1	ZINC000844155676	613431840	/nfs/dbraw/zinc/43/18/40/613431840.db2.gz	UGWNFMPJPGPGHN-ZDUSSCGKSA-N	-1	0	294.311	0.218	20	30		CCEDRM
C=C[C@@H](C)O[N-]C(=O)CC(=O)NCC(F)(F)F	ZINC000846549123	613443256	/nfs/dbraw/zinc/44/32/56/613443256.db2.gz	MWPBJCDHQWVNDV-ZCFIWIBFSA-N	-1	0	254.208	0.677	20	30		CCEDRM
C=C[C@@H](C)O[N-]C(=O)C(=O)Nc1c(C)cnn1CC	ZINC000850476537	613443314	/nfs/dbraw/zinc/44/33/14/613443314.db2.gz	NCAGHAOANHLHPJ-SECBINFHSA-N	-1	0	266.301	0.772	20	30		CCEDRM
C=C[C@@H](C)O[N-]C(=O)C(=O)Nc1cc(C)nnc1N(C)C	ZINC000850475737	613443324	/nfs/dbraw/zinc/44/33/24/613443324.db2.gz	DDEAPAJSNCPYLG-SECBINFHSA-N	-1	0	293.327	0.412	20	30		CCEDRM
C=C[C@@H](C)O[N-]C(=O)COCC(=O)NCc1cccnc1	ZINC000846550638	613443621	/nfs/dbraw/zinc/44/36/21/613443621.db2.gz	ODEJBNQBRMIQQG-LLVKDONJSA-N	-1	0	293.323	0.337	20	30		CCEDRM
C=CC(C)(C)C(=O)[N-]S(=O)(=O)[C@@H](C)[C@@H](C)C(=O)OC	ZINC000835317710	613444610	/nfs/dbraw/zinc/44/46/10/613444610.db2.gz	XZTICCUEYIARAC-BDAKNGLRSA-N	-1	0	291.369	0.842	20	30		CCEDRM
C=C[C@@H](C)O[N-]C(=O)[C@@](C)(O)Cn1c(C)cccc1=O	ZINC000846553325	613447284	/nfs/dbraw/zinc/44/72/84/613447284.db2.gz	APPSSWHBBBBEJV-RISCZKNCSA-N	-1	0	280.324	0.530	20	30		CCEDRM
C=CC1(S(=O)(=O)[N-]C(=O)C23CC(C(=O)OC)(C2)C3)CC1	ZINC000870838834	613450376	/nfs/dbraw/zinc/45/03/76/613450376.db2.gz	OEDIAFFJMBYZRS-UHFFFAOYSA-N	-1	0	299.348	0.494	20	30		CCEDRM
C=CC1(S(=O)(=O)[N-]C(=O)COCCCC)CC1	ZINC000870833716	613450398	/nfs/dbraw/zinc/45/03/98/613450398.db2.gz	BAOBTYKOGVTPCN-UHFFFAOYSA-N	-1	0	261.343	0.968	20	30		CCEDRM
C=CC1(S(=O)(=O)[N-]C(=O)C2CCC(=O)CC2)CC1	ZINC000870835165	613450428	/nfs/dbraw/zinc/45/04/28/613450428.db2.gz	FAKWWMHJIWTMEJ-UHFFFAOYSA-N	-1	0	271.338	0.910	20	30		CCEDRM
C=C[C@@H](O)C(=O)N1CCOc2cc(C(=O)[O-])ccc2C1	ZINC000908149483	613450518	/nfs/dbraw/zinc/45/05/18/613450518.db2.gz	VJDGNRMFMPNRAO-LLVKDONJSA-N	-1	0	277.276	0.653	20	30		CCEDRM
C=CC1(S(=O)(=O)[N-]C(=O)C[C@@H](C)n2ccnc2)CC1	ZINC000870838819	613450779	/nfs/dbraw/zinc/45/07/79/613450779.db2.gz	NKCZRVOYCLKMSK-SNVBAGLBSA-N	-1	0	283.353	0.999	20	30		CCEDRM
C=CC1(S(=O)(=O)[N-]C(=O)[C@@H](C)NC(=O)CC)CC1	ZINC000870831848	613450794	/nfs/dbraw/zinc/45/07/94/613450794.db2.gz	IPGDOEVQRJADSV-MRVPVSSYSA-N	-1	0	274.342	0.066	20	30		CCEDRM
C=CC1(S(=O)(=O)[N-]C(=O)C[C@H](C)n2cccn2)CC1	ZINC000870838892	613450842	/nfs/dbraw/zinc/45/08/42/613450842.db2.gz	QBCCWGOEGHOQIH-JTQLQIEISA-N	-1	0	283.353	0.999	20	30		CCEDRM
C=CC1(S(=O)(=O)[N-]C(=O)C[C@H]2CCOC2)CC1	ZINC000870834497	613450897	/nfs/dbraw/zinc/45/08/97/613450897.db2.gz	GAQLPERBLUWNHH-SECBINFHSA-N	-1	0	259.327	0.578	20	30		CCEDRM
C=CC1(S(=O)(=O)[N-]C(=O)[C@@H]2CC2(F)F)CC1	ZINC000870837267	613451305	/nfs/dbraw/zinc/45/13/05/613451305.db2.gz	FMLIQUOEDRLEBU-LURJTMIESA-N	-1	0	251.254	0.806	20	30		CCEDRM
C=CC1(S(=O)(=O)[N-]C(=O)[C@H](C)[NH2+]C2CC2)CC1	ZINC000901059554	613451525	/nfs/dbraw/zinc/45/15/25/613451525.db2.gz	RBRGQSGFCUBPDI-QMMMGPOBSA-N	-1	0	258.343	0.292	20	30		CCEDRM
C=CC1CCN(C(=O)NCC(=O)[N-]OCC)CC1	ZINC000845544353	613452285	/nfs/dbraw/zinc/45/22/85/613452285.db2.gz	AYKBNVWCXYQXHU-UHFFFAOYSA-N	-1	0	255.318	0.662	20	30		CCEDRM
C=C[C@@H](O)C(=O)N[C@@H](Cc1cccc(OC)c1)C(=O)[O-]	ZINC000910211308	613452580	/nfs/dbraw/zinc/45/25/80/613452580.db2.gz	JKWYRFDPMVXEBX-NWDGAFQWSA-N	-1	0	279.292	0.354	20	30		CCEDRM
C=CCC(F)(F)C(=O)N1CCO[C@@H](c2nnn[n-]2)C1	ZINC000815519641	613454176	/nfs/dbraw/zinc/45/41/76/613454176.db2.gz	DJMMDGDHKYGDDD-SSDOTTSWSA-N	-1	0	273.243	0.311	20	30		CCEDRM
C=CCC1(S(=O)(=O)[N-]C(=O)Cn2cncc2C)CC1	ZINC000860772909	613460825	/nfs/dbraw/zinc/46/08/25/613460825.db2.gz	BTGQSVSTPZPBGJ-UHFFFAOYSA-N	-1	0	283.353	0.746	20	30		CCEDRM
C=CCC1(S(=O)(=O)[N-]C(=O)c2cc(C)nn2C)CC1	ZINC000810982796	613461396	/nfs/dbraw/zinc/46/13/96/613461396.db2.gz	XTZLHZXYRFKITF-UHFFFAOYSA-N	-1	0	283.353	0.897	20	30		CCEDRM
C=CCCC(C)(C)NC(=O)Cn1[n-]cc2c(=O)ncnc1-2	ZINC000856373828	613464300	/nfs/dbraw/zinc/46/43/00/613464300.db2.gz	ARGQJEZTMZOYOM-UHFFFAOYSA-N	-1	0	289.339	0.932	20	30		CCEDRM
C=CCCCN(CC)S(=O)(=O)N(C)CCC(=O)[O-]	ZINC000903553998	613466868	/nfs/dbraw/zinc/46/68/68/613466868.db2.gz	GJZUWXNWHCXSLO-UHFFFAOYSA-N	-1	0	278.374	0.926	20	30		CCEDRM
C=CCCCS(=O)(=O)N[C@@H](CC(C)=O)C(=O)[O-]	ZINC000863407298	613469521	/nfs/dbraw/zinc/46/95/21/613469521.db2.gz	GPJTVAVFTPRWMG-VIFPVBQESA-N	-1	0	263.315	0.304	20	30		CCEDRM
C=CCCCS(=O)(=O)N[C@@H](COC(C)C)C(=O)[O-]	ZINC000863417880	613469711	/nfs/dbraw/zinc/46/97/11/613469711.db2.gz	YMKMYKOQBBDGEM-JTQLQIEISA-N	-1	0	279.358	0.750	20	30		CCEDRM
C=CCCC[C@H](NC(=O)Cn1ccccc1=O)C(=O)[O-]	ZINC000910922218	613473435	/nfs/dbraw/zinc/47/34/35/613473435.db2.gz	IDZXRNMZSJFHBZ-NSHDSACASA-N	-1	0	278.308	0.774	20	30		CCEDRM
C=C[C@@](C)(CCOC)C(=O)N1C[C@@H](C)O[C@@H](C(=O)[O-])C1	ZINC000909896297	613476748	/nfs/dbraw/zinc/47/67/48/613476748.db2.gz	NINQFYDFQYOYTC-GYSYKLTISA-N	-1	0	285.340	0.916	20	30		CCEDRM
C=C[C@@](C)(CCOC)C(=O)NC[C@@H]1CCO[C@@H]1C(=O)[O-]	ZINC000910348059	613476863	/nfs/dbraw/zinc/47/68/63/613476863.db2.gz	YKJOHPDNKISICB-MJVIPROJSA-N	-1	0	285.340	0.821	20	30		CCEDRM
C=C[C@@](C)(CCOC)C(=O)NC[C@@](C)(O)C(=O)[O-]	ZINC000911474910	613476938	/nfs/dbraw/zinc/47/69/38/613476938.db2.gz	ZUCXKGZCHMPCAU-NWDGAFQWSA-N	-1	0	259.302	0.167	20	30		CCEDRM
C=C[C@@](C)(O)C(=O)NCCc1ncc(C(=O)[O-])s1	ZINC000910999096	613478607	/nfs/dbraw/zinc/47/86/07/613478607.db2.gz	BNTCNXQEHULDQW-LLVKDONJSA-N	-1	0	270.310	0.437	20	30		CCEDRM
C=C[C@@](C)(O)C(=O)N[C@H](Cc1ccccc1)C(=O)[O-]	ZINC000908583709	613479150	/nfs/dbraw/zinc/47/91/50/613479150.db2.gz	UWRJETXRHQTBJB-BXUZGUMPSA-N	-1	0	263.293	0.736	20	30		CCEDRM
C=C[C@H](C)O[N-]C(=O)C(=O)Nc1cncnc1OC	ZINC000846153188	613483663	/nfs/dbraw/zinc/48/36/63/613483663.db2.gz	HLIGLALXISTPLQ-ZETCQYMHSA-N	-1	0	266.257	0.046	20	30		CCEDRM
C=C[C@H](C)O[N-]C(=O)C(=O)Nc1cnc(CC2CC2)nc1	ZINC000846155945	613483696	/nfs/dbraw/zinc/48/36/96/613483696.db2.gz	JEUBMDAXEWADFE-VIFPVBQESA-N	-1	0	290.323	0.990	20	30		CCEDRM
C=C[C@H](C)O[N-]C(=O)Cn1c(C)cc(O)cc1=O	ZINC000846548226	613484500	/nfs/dbraw/zinc/48/45/00/613484500.db2.gz	SIIBGTHWXXBIPJ-VIFPVBQESA-N	-1	0	252.270	0.485	20	30		CCEDRM
C=C[C@H](C)O[N-]C(=O)Cn1cc(C(=O)OC)cn1	ZINC000862132480	613484677	/nfs/dbraw/zinc/48/46/77/613484677.db2.gz	GOGHCNOUIBNTRY-QMMMGPOBSA-N	-1	0	253.258	0.292	20	30		CCEDRM
C=C[C@H](C)O[N-]C(=O)[C@@H](CC(N)=O)NC(=O)CC(C)C	ZINC000846553093	613488308	/nfs/dbraw/zinc/48/83/08/613488308.db2.gz	XOPFRCAIGYGRAJ-VHSXEESVSA-N	-1	0	285.344	0.015	20	30		CCEDRM
C=C[C@](C)(O)C(=O)NCCc1ccc(C(=O)[O-])cc1OC	ZINC000909628417	613507165	/nfs/dbraw/zinc/50/71/65/613507165.db2.gz	BGXNOEDKQZYAQX-HNNXBMFYSA-N	-1	0	293.319	0.989	20	30		CCEDRM
C=C[C@](C)(O)C(=O)NCc1ccc(C(=O)[O-])cn1	ZINC000911732742	613507817	/nfs/dbraw/zinc/50/78/17/613507817.db2.gz	XLWAZZIDTSSUJG-LBPRGKRZSA-N	-1	0	250.254	0.333	20	30		CCEDRM
C=C[C@](C)(O)C(=O)N[C@@H]1C[C@@H]2C[C@@H](C(=O)[O-])C[C@H]12	ZINC000907956719	613508267	/nfs/dbraw/zinc/50/82/67/613508267.db2.gz	IZHLMPHGJSBXJJ-VNCLEBCXSA-N	-1	0	253.298	0.539	20	30		CCEDRM
CC#CC(=O)Nc1cc(S(N)(=O)=O)ccc1O	ZINC000801182227	613519930	/nfs/dbraw/zinc/51/99/30/613519930.db2.gz	IOPKJTCSEWEICQ-UHFFFAOYSA-N	-1	0	254.267	0.001	20	30		CCEDRM
CC#CCCNC(=O)N[C@@H](C(=O)[O-])C1CCOCC1	ZINC000909032546	613522306	/nfs/dbraw/zinc/52/23/06/613522306.db2.gz	XJZJLXDTZLZORG-LLVKDONJSA-N	-1	0	268.313	0.579	20	30		CCEDRM
C=CCCNS(=O)(=O)N=S(=O)(CC)CC	ZINC000867505315	613569929	/nfs/dbraw/zinc/56/99/29/613569929.db2.gz	RYBLRVCFCNOINO-UHFFFAOYSA-N	-1	0	254.377	0.905	20	30		CCEDRM
C=CCCO[N-]C(=O)CS(=O)(=O)C1CCCC1	ZINC000856030704	613576648	/nfs/dbraw/zinc/57/66/48/613576648.db2.gz	NCINLFVHCLAGAS-UHFFFAOYSA-N	-1	0	261.343	0.968	20	30		CCEDRM
C=CCCO[N-]C(=O)CN1CCC[C@H](C(=O)OC)C1=O	ZINC000825566074	613576716	/nfs/dbraw/zinc/57/67/16/613576716.db2.gz	OTXSROHKVGFOQT-JTQLQIEISA-N	-1	0	284.312	0.022	20	30		CCEDRM
C=CCCO[C@H](C)C(=O)[N-]S(=O)(=O)CC1(C#N)CC1	ZINC000793198168	613579626	/nfs/dbraw/zinc/57/96/26/613579626.db2.gz	VSAAOQWVDJRFOZ-SNVBAGLBSA-N	-1	0	286.353	0.717	20	30		CCEDRM
C=CCCS(=O)(=O)N1CCC[C@H]1CNC(=O)[O-]	ZINC000823500226	613580663	/nfs/dbraw/zinc/58/06/63/613580663.db2.gz	CKIVSIPUBRHJGR-VIFPVBQESA-N	-1	0	262.331	0.624	20	30		CCEDRM
C=CCCS(=O)(=O)N1CC[C@H](CN(C)C(=O)[O-])C1	ZINC000823500200	613581210	/nfs/dbraw/zinc/58/12/10/613581210.db2.gz	BPXLWGBNMINZGU-SNVBAGLBSA-N	-1	0	276.358	0.824	20	30		CCEDRM
C=CCCS(=O)(=O)N[C@H](CSC)C(=O)[O-]	ZINC000903054734	613581673	/nfs/dbraw/zinc/58/16/73/613581673.db2.gz	PJZOMGZBTCDLNG-SSDOTTSWSA-N	-1	0	253.345	0.298	20	30		CCEDRM
C=CCC[C@@H](CO)NS(=O)(=O)N=[S@](C)(=O)CC	ZINC000867368366	613584618	/nfs/dbraw/zinc/58/46/18/613584618.db2.gz	QRSQXMCZFXPXAT-XXFAHNHDSA-N	-1	0	284.403	0.266	20	30		CCEDRM
C=CCCn1cc(C(=O)N2CC[C@@](F)(C(=O)[O-])C2)nn1	ZINC000819925251	613593199	/nfs/dbraw/zinc/59/31/99/613593199.db2.gz	VJDDDMPSYBINKL-LBPRGKRZSA-N	-1	0	282.275	0.493	20	30		CCEDRM
CC#CCS(=O)(=O)[N-]C(=O)[C@@H]1CCC(=O)C[C@@H]1C	ZINC000798202604	613646761	/nfs/dbraw/zinc/64/67/61/613646761.db2.gz	IDUQAZXHXLRFKJ-GXSJLCMTSA-N	-1	0	271.338	0.461	20	30		CCEDRM
C=CCN(CC(=O)[O-])C(=O)Cc1nc(C2CC2)nn1C	ZINC000844155358	613642395	/nfs/dbraw/zinc/64/23/95/613642395.db2.gz	OTLZTJNCBSYTOP-UHFFFAOYSA-N	-1	0	278.312	0.334	20	30		CCEDRM
C=CCN(CC(=O)[O-])C(=O)Cc1cnn2c1CCCC2	ZINC000909517047	613642603	/nfs/dbraw/zinc/64/26/03/613642603.db2.gz	YGWCHHOUMSSVJZ-UHFFFAOYSA-N	-1	0	277.324	0.861	20	30		CCEDRM
C=CCN(CC(=O)[O-])C(=O)N[C@@H]1CCO[C@]2(CCOC2)C1	ZINC000908700476	613642770	/nfs/dbraw/zinc/64/27/70/613642770.db2.gz	XGRYYKFEMFULKL-BXUZGUMPSA-N	-1	0	298.339	0.607	20	30		CCEDRM
C=CCN(CC(=O)[O-])C(=O)NCc1ncccc1OC	ZINC000909004780	613642775	/nfs/dbraw/zinc/64/27/75/613642775.db2.gz	ITXZLXFENGVOEW-UHFFFAOYSA-N	-1	0	279.296	0.872	20	30		CCEDRM
C=CCN(CC(=O)[O-])C(=O)c1ccnn1CC(F)F	ZINC000909516608	613643663	/nfs/dbraw/zinc/64/36/63/613643663.db2.gz	KBTYPIDARWKBMF-UHFFFAOYSA-N	-1	0	273.239	0.861	20	30		CCEDRM
C=CCN(CC(=O)[O-])C(=O)[C@H]1CCc2nnc(C)n2C1	ZINC000909515176	613643823	/nfs/dbraw/zinc/64/38/23/613643823.db2.gz	RBPCLWLUNBBEQX-JTQLQIEISA-N	-1	0	278.312	0.248	20	30		CCEDRM
CC#CCS(=O)(=O)[N-]C(=O)Cc1ccc(C(C)=O)cc1	ZINC000810777941	613646243	/nfs/dbraw/zinc/64/62/43/613646243.db2.gz	LFUDJLXJZSWOSZ-UHFFFAOYSA-N	-1	0	293.344	0.901	20	30		CCEDRM
CC#CCS(=O)(=O)[N-]C(=O)[C@@H]1C[C@@]1(C)Br	ZINC000860720995	613646585	/nfs/dbraw/zinc/64/65/85/613646585.db2.gz	UOQXOCRALSNZSY-IONNQARKSA-N	-1	0	294.170	0.629	20	30		CCEDRM
CC#CCS(=O)(=O)[N-]C(=O)[C@@H]1CCC(=O)[C@@H](C)C1	ZINC000810771217	613646724	/nfs/dbraw/zinc/64/67/24/613646724.db2.gz	ICDPRAWGJNHJDX-VHSXEESVSA-N	-1	0	271.338	0.461	20	30		CCEDRM
CC#CCS(=O)(=O)[N-]C(=O)[C@@H]1C[C@H]1C1CCOCC1	ZINC000870330670	613646773	/nfs/dbraw/zinc/64/67/73/613646773.db2.gz	VNXKJQXVONRXKM-NWDGAFQWSA-N	-1	0	285.365	0.518	20	30		CCEDRM
CC#CCS(=O)(=O)[N-]C(=O)[C@@H](OC)C1CCCC1	ZINC000851000660	613646777	/nfs/dbraw/zinc/64/67/77/613646777.db2.gz	XYQJJRMTMYJGOT-NSHDSACASA-N	-1	0	273.354	0.661	20	30		CCEDRM
CC#CCS(=O)(=O)[N-]C(=O)[C@@H](CCC)OCC	ZINC000860722052	613646839	/nfs/dbraw/zinc/64/68/39/613646839.db2.gz	QTPVNFXDFUZWSE-SNVBAGLBSA-N	-1	0	261.343	0.661	20	30		CCEDRM
CC#CCS(=O)(=O)[N-]C(=O)[C@H](OC)[C@@H](C)CC	ZINC000810769713	613647120	/nfs/dbraw/zinc/64/71/20/613647120.db2.gz	DJMHGFZXBQWXNB-VHSXEESVSA-N	-1	0	261.343	0.517	20	30		CCEDRM
CC#CCS(=O)(=O)[N-]C(=O)c1cc(OC)cc(OC)c1	ZINC000791111003	613647624	/nfs/dbraw/zinc/64/76/24/613647624.db2.gz	KIBYGSKZHQEMRV-UHFFFAOYSA-N	-1	0	297.332	0.787	20	30		CCEDRM
CC#CC[C@@H](NC(=O)OC[C@H]1CCCO1)C(=O)[O-]	ZINC000926462834	613650406	/nfs/dbraw/zinc/65/04/06/613650406.db2.gz	DGYILNFLZNAKJO-NXEZZACHSA-N	-1	0	255.270	0.758	20	30		CCEDRM
C=CCN1C(=O)N[C@]2(CCCC[C@H]2CNC(=O)[O-])C1=O	ZINC000823506035	613652335	/nfs/dbraw/zinc/65/23/35/613652335.db2.gz	BBCAGBWSTCSLQU-ZANVPECISA-N	-1	0	281.312	0.921	20	30		CCEDRM
CC(=NNCC(=O)[O-])c1cccc(-n2cnnn2)c1	ZINC000814959800	613654347	/nfs/dbraw/zinc/65/43/47/613654347.db2.gz	DEBWSFOWUGPGAB-UHFFFAOYSA-N	-1	0	260.257	0.061	20	30		CCEDRM
CC(=NNC[C@H](C)O)c1ccc([O-])c([N+](=O)[O-])c1	ZINC000814965429	613655822	/nfs/dbraw/zinc/65/58/22/613655822.db2.gz	AOVQDOBUWIYHFA-ZETCQYMHSA-N	-1	0	253.258	0.995	20	30		CCEDRM
CC(=NNS(C)(=O)=O)c1ccc(C(=O)[O-])cc1	ZINC000825804322	613656335	/nfs/dbraw/zinc/65/63/35/613656335.db2.gz	DPPOYBWJXXMZMS-UHFFFAOYSA-N	-1	0	256.283	0.658	20	30		CCEDRM
CC(=O)CCCC(=O)[N-]S(=O)(=O)CC1(C#N)CC1	ZINC000793197056	613670778	/nfs/dbraw/zinc/67/07/78/613670778.db2.gz	NALAYOZVYHJPRG-UHFFFAOYSA-N	-1	0	272.326	0.495	20	30		CCEDRM
CC(=O)NC1CCN(C(=O)[C@](C)(C#N)CC(=O)[O-])CC1	ZINC000819737327	613702720	/nfs/dbraw/zinc/70/27/20/613702720.db2.gz	QIIPMCSNACFFQJ-ZDUSSCGKSA-N	-1	0	281.312	0.118	20	30		CCEDRM
C=CCNC(=O)COC(=O)[C@H]1CC[C@H](NC(=O)[O-])C1	ZINC000823506409	613848248	/nfs/dbraw/zinc/84/82/48/613848248.db2.gz	HHHQXWQLZXWCNS-IUCAKERBSA-N	-1	0	270.285	0.268	20	30		CCEDRM
C=CCNC(=O)C(C#N)=C([O-])c1nnc2ccccc2n1	ZINC000810532109	613852962	/nfs/dbraw/zinc/85/29/62/613852962.db2.gz	RJHATQIRRKCHAE-VIFPVBQESA-N	-1	0	281.275	0.649	20	30		CCEDRM
C=CCNC(=O)[C@@H](C)OC(=O)[C@@H](NC(=O)[O-])C(C)(C)C	ZINC000823507068	613853688	/nfs/dbraw/zinc/85/36/88/613853688.db2.gz	QWENIAHRVAQMMM-RKDXNWHRSA-N	-1	0	286.328	0.903	20	30		CCEDRM
C=CCNC(=O)C(C#N)=C([O-])c1cnn2c1CCCC2	ZINC000125612258	613854999	/nfs/dbraw/zinc/85/49/99/613854999.db2.gz	RSRPNQIHBMCZFP-SNVBAGLBSA-N	-1	0	272.308	0.844	20	30		CCEDRM
C=CCOCC(=O)N1CCN(C(=O)[O-])CC1(C)C	ZINC000823516655	613879114	/nfs/dbraw/zinc/87/91/14/613879114.db2.gz	QWWOSJMGXZNEOQ-UHFFFAOYSA-N	-1	0	256.302	0.790	20	30		CCEDRM
C=CCOCC(=O)N1CCO[C@H]([C@H](C)NC(=O)[O-])C1	ZINC000823516800	613879240	/nfs/dbraw/zinc/87/92/40/613879240.db2.gz	WAZHLGQQDUHUAU-UWVGGRQHSA-N	-1	0	272.301	0.073	20	30		CCEDRM
C=CCOCCCC(=O)N[C@@H]1CCCN(O)C1=O	ZINC000816758993	613879801	/nfs/dbraw/zinc/87/98/01/613879801.db2.gz	BYMOJSXXAREABK-SNVBAGLBSA-N	-1	0	256.302	0.466	20	30		CCEDRM
C=CCOCCCNC(=O)Cn1ccc(C(=O)[O-])n1	ZINC000909955874	613880062	/nfs/dbraw/zinc/88/00/62/613880062.db2.gz	AJFPUYAZRQTKBJ-UHFFFAOYSA-N	-1	0	267.285	0.290	20	30		CCEDRM
C=CCOCCNC(=O)[C@H](CC(C)C)NC(=O)[O-]	ZINC000833376222	613881038	/nfs/dbraw/zinc/88/10/38/613881038.db2.gz	YFBXBPHNUWUVHI-JTQLQIEISA-N	-1	0	258.318	0.988	20	30		CCEDRM
C=CCOC[C@@H](NC(=O)C1CCC(O)CC1)C(=O)[O-]	ZINC000909772278	613881517	/nfs/dbraw/zinc/88/15/17/613881517.db2.gz	WRBPBONDIUGDAB-VQXHTEKXSA-N	-1	0	271.313	0.310	20	30		CCEDRM
C=CCOC[C@@H](NC(=O)C1CCN(OC)CC1)C(=O)[O-]	ZINC000909769542	613881575	/nfs/dbraw/zinc/88/15/75/613881575.db2.gz	AEFZLDOAXZKISN-LLVKDONJSA-N	-1	0	286.328	0.032	20	30		CCEDRM
C=CCOC[C@@H](NC(=O)C1(C#N)CCSCC1)C(=O)[O-]	ZINC000907669271	613881602	/nfs/dbraw/zinc/88/16/02/613881602.db2.gz	JSYFZMDVVWARQS-SNVBAGLBSA-N	-1	0	298.364	0.795	20	30		CCEDRM
C=CCOC[C@@H](NC(=O)[C@@H]1CCCOCC1)C(=O)[O-]	ZINC000909767778	613881774	/nfs/dbraw/zinc/88/17/74/613881774.db2.gz	QKRJTSKEIHOGBX-GHMZBOCLSA-N	-1	0	271.313	0.575	20	30		CCEDRM
C=CCOC[C@@H](NC(=O)c1ccnc(C)c1)C(=O)[O-]	ZINC000909769916	613881892	/nfs/dbraw/zinc/88/18/92/613881892.db2.gz	CIIUEMVZSBXBSC-LLVKDONJSA-N	-1	0	264.281	0.776	20	30		CCEDRM
C=CCOC[C@@H](NC(=O)c1cnccc1C)C(=O)[O-]	ZINC000909772516	613881908	/nfs/dbraw/zinc/88/19/08/613881908.db2.gz	QZKBVAMMOMVXAX-LLVKDONJSA-N	-1	0	264.281	0.776	20	30		CCEDRM
C=CCOC[C@H](NC(=O)Cc1cnccc1C)C(=O)[O-]	ZINC000909770631	613882333	/nfs/dbraw/zinc/88/23/33/613882333.db2.gz	HANLWPYUILLTTR-LBPRGKRZSA-N	-1	0	278.308	0.705	20	30		CCEDRM
C=CCOC[C@H](NC(=O)c1ccc(CO)c(F)c1)C(=O)[O-]	ZINC000909770957	613882718	/nfs/dbraw/zinc/88/27/18/613882718.db2.gz	JTCYKHCYARATLI-LBPRGKRZSA-N	-1	0	297.282	0.704	20	30		CCEDRM
C=CCO[N-]C(=O)C(=O)N1CCN(c2ccccc2)CC1	ZINC000837050135	613883076	/nfs/dbraw/zinc/88/30/76/613883076.db2.gz	VTGLJHMDKAWWIC-UHFFFAOYSA-N	-1	0	289.335	0.569	20	30		CCEDRM
C=CCO[N-]C(=O)[C@H](Cc1ccccc1)n1nnnc1C	ZINC000837047412	613884517	/nfs/dbraw/zinc/88/45/17/613884517.db2.gz	FBVVLXXWHHEXOZ-ZDUSSCGKSA-N	-1	0	287.323	0.999	20	30		CCEDRM
C=CCOc1cccnc1C(=O)N1CC[C@](O)(C(=O)[O-])C1	ZINC000910528830	613884844	/nfs/dbraw/zinc/88/48/44/613884844.db2.gz	ZSOMWOYTGCIBIN-CQSZACIVSA-N	-1	0	292.291	0.308	20	30		CCEDRM
C=CCS(=O)(=O)CCNC(=O)CCCN(C)C(=O)[O-]	ZINC000833378362	613885039	/nfs/dbraw/zinc/88/50/39/613885039.db2.gz	MKYAYDCNRYWUED-UHFFFAOYSA-N	-1	0	292.357	0.093	20	30		CCEDRM
C=CCOc1cccnc1C(=O)[N-]S(=O)(=O)CC#CC	ZINC000810773768	613885007	/nfs/dbraw/zinc/88/50/07/613885007.db2.gz	MZEBWJBLIPIQKH-UHFFFAOYSA-N	-1	0	294.332	0.729	20	30		CCEDRM
C=CCS(=O)(=O)[N-]C(=O)Cc1ccc2c(c1)COC2	ZINC000755758854	613886162	/nfs/dbraw/zinc/88/61/62/613886162.db2.gz	LQCWLYKZVVGJTN-UHFFFAOYSA-N	-1	0	281.333	0.891	20	30		CCEDRM
C=CCS(=O)(=O)[N-]C(=O)[C@@H](C)Oc1ccccc1C#N	ZINC000132740877	613886220	/nfs/dbraw/zinc/88/62/20/613886220.db2.gz	CRWYMDPJYKQINU-SNVBAGLBSA-N	-1	0	294.332	0.958	20	30		CCEDRM
C=CCS(=O)(=O)[N-]C(=O)[C@@H]1CC12CC(OCC)C2	ZINC000870256768	613886240	/nfs/dbraw/zinc/88/62/40/613886240.db2.gz	MPYLBPRFLYMSKY-YZRBJQDESA-N	-1	0	273.354	0.824	20	30		CCEDRM
C=CCS(=O)(=O)[N-]C(=O)[C@H]1CCc2cnn(C)c2C1	ZINC000798844926	613886262	/nfs/dbraw/zinc/88/62/62/613886262.db2.gz	FOFOJWCICDYWKF-VIFPVBQESA-N	-1	0	283.353	0.157	20	30		CCEDRM
C=CCS(=O)(=O)[N-]C(=O)c1cn2c(n1)C[C@H](OC)CC2	ZINC000870258294	613886290	/nfs/dbraw/zinc/88/62/90/613886290.db2.gz	JBIFPKXAWISHAK-SECBINFHSA-N	-1	0	299.352	0.090	20	30		CCEDRM
C=CCS(=O)(=O)[N-]C(=O)c1ccc(N)c([N+](=O)[O-])c1	ZINC000132805499	613886363	/nfs/dbraw/zinc/88/63/63/613886363.db2.gz	UDKCPHFWRDLBIE-UHFFFAOYSA-N	-1	0	285.281	0.423	20	30		CCEDRM
CC(C)NC(=O)C(C#N)=C([O-])c1c[nH]c(-c2nn[nH]n2)c1	ZINC000824300636	613934067	/nfs/dbraw/zinc/93/40/67/613934067.db2.gz	IKJHUBSLXQRIFD-MRVPVSSYSA-N	-1	0	287.283	0.042	20	30		CCEDRM
CC(C)OCCCNC(=O)C(C#N)=C([O-])c1cocn1	ZINC000105755641	614013039	/nfs/dbraw/zinc/01/30/39/614013039.db2.gz	VMXLYULQPFBWRV-JTQLQIEISA-N	-1	0	279.296	0.928	20	30		CCEDRM
CC(C)[C@@H](CCO)NC(=O)[C@@](C)(C#N)CC(=O)[O-]	ZINC000819955308	614093515	/nfs/dbraw/zinc/09/35/15/614093515.db2.gz	RZFZJVCSPSEEHN-BXKDBHETSA-N	-1	0	256.302	0.514	20	30		CCEDRM
CC(C)[C@@H](NC(=O)C#Cc1ccc2c(c1)OCO2)C(=O)[O-]	ZINC000817926153	614120199	/nfs/dbraw/zinc/12/01/99/614120199.db2.gz	UCIMGDDSMFSUNP-CQSZACIVSA-N	-1	0	289.287	0.992	20	30		CCEDRM
CC(C)([N-]C(=O)C(F)(F)F)C(=O)N1CC(C#N)C1	ZINC000817555132	614163709	/nfs/dbraw/zinc/16/37/09/614163709.db2.gz	XBLSMNCULHMGAC-UHFFFAOYSA-N	-1	0	263.219	0.425	20	30		CCEDRM
CC(C)CO[C@@H](C)C(=O)N1CCN(C(=O)[O-])C[C@@H]1C#N	ZINC000824267993	614171321	/nfs/dbraw/zinc/17/13/21/614171321.db2.gz	IOHBOIDFGYVUNG-QWRGUYRKSA-N	-1	0	283.328	0.762	20	30		CCEDRM
CC(C)N(C)S(=O)(=O)[N-]C(=O)c1cccc(C#N)n1	ZINC000810573106	614270278	/nfs/dbraw/zinc/27/02/78/614270278.db2.gz	LHLOJDPEUAVOSK-UHFFFAOYSA-N	-1	0	282.325	0.268	20	30		CCEDRM
CC(C)(C#N)CNC(=O)N1CCO[C@H](CC(=O)[O-])C1	ZINC000833413128	614285742	/nfs/dbraw/zinc/28/57/42/614285742.db2.gz	KDNDVPJSQYEBQV-SECBINFHSA-N	-1	0	269.301	0.421	20	30		CCEDRM
CC(C)[C@](C)(C#N)NC(=O)[C@@H](C)N1CC[C@](F)(C(=O)[O-])C1	ZINC000825995469	614286439	/nfs/dbraw/zinc/28/64/39/614286439.db2.gz	QGOIILWPOFLOGQ-DDTOSNHZSA-N	-1	0	299.346	0.928	20	30		CCEDRM
CC(C)(C#N)CS(=O)(=O)N1C[C@H]2[C@H](C(=O)[O-])[C@H]2C1	ZINC000899935646	614286785	/nfs/dbraw/zinc/28/67/85/614286785.db2.gz	VEOCCGLXTORCAV-BRPSZJMVSA-N	-1	0	272.326	0.128	20	30		CCEDRM
CC(C)n1ccc(C(=O)[N-]S(=O)(=O)CC2(C#N)CC2)n1	ZINC000793196741	614359815	/nfs/dbraw/zinc/35/98/15/614359815.db2.gz	ZCDIQOBSGUHEFE-UHFFFAOYSA-N	-1	0	296.352	0.827	20	30		CCEDRM
CC(CN1C(=O)CCC1=O)N=Nc1ccc(C(=O)[O-])nc1	ZINC000835006424	614378380	/nfs/dbraw/zinc/37/83/80/614378380.db2.gz	DGKVSICUAKCHHO-UHFFFAOYSA-N	-1	0	290.279	0.717	20	30		CCEDRM
CC(C[C@H]1CCCN1C(=O)[O-])=NN1CC(=O)N(C)C1=O	ZINC000833804648	614382336	/nfs/dbraw/zinc/38/23/36/614382336.db2.gz	XEGVNYZWGDUFGY-SECBINFHSA-N	-1	0	282.300	0.789	20	30		CCEDRM
CCCc1nc(C([O-])=C(C#N)C(=O)NCCOC)co1	ZINC000802041249	614490339	/nfs/dbraw/zinc/49/03/39/614490339.db2.gz	YGIPDSWXEMNHBO-SECBINFHSA-N	-1	0	279.296	0.712	20	30		CCEDRM
CCCn1nc(C)c(C=Nn2c(=O)[n-][nH]c2=O)c1C	ZINC000814232270	614542646	/nfs/dbraw/zinc/54/26/46/614542646.db2.gz	ZIEWSWMVGAXBCW-UHFFFAOYSA-N	-1	0	264.289	0.795	20	30		CCEDRM
CCCn1nccc1C([O-])=C(C#N)C(=O)NCCOC	ZINC000850758043	614552298	/nfs/dbraw/zinc/55/22/98/614552298.db2.gz	XALYKEZFQYKZBU-SNVBAGLBSA-N	-1	0	278.312	0.378	20	30		CCEDRM
CC1(C)OC[C@H]2C[C@]21C(=O)[N-]S(=O)(=O)CCCC#N	ZINC000850926421	614840780	/nfs/dbraw/zinc/84/07/80/614840780.db2.gz	MFOCCPJUPOPPRO-BXKDBHETSA-N	-1	0	286.353	0.551	20	30		CCEDRM
CCC[C@@H](NC(=O)[C@]1(C#N)CCCOC1)C(=O)[O-]	ZINC000908011898	614992871	/nfs/dbraw/zinc/99/28/71/614992871.db2.gz	LFSTXJRNBSWLPF-SKDRFNHKSA-N	-1	0	254.286	0.676	20	30		CCEDRM
CCN(CCC#N)C(=O)[C@H]1CSCN1C(=O)[O-]	ZINC000833857765	615023435	/nfs/dbraw/zinc/02/34/35/615023435.db2.gz	QDWGSILFQARTCC-MRVPVSSYSA-N	-1	0	257.315	0.801	20	30		CCEDRM
CCN(C[C@@H](C)C#N)C(=O)COC1CN(C(=O)[O-])C1	ZINC000827020597	615061746	/nfs/dbraw/zinc/06/17/46/615061746.db2.gz	XLWAVSAFBZHFBJ-VIFPVBQESA-N	-1	0	269.301	0.373	20	30		CCEDRM
CCN(C[C@@H]1CCOC1)C(=O)[C@@](C)(C#N)CC(=O)[O-]	ZINC000820343947	615064070	/nfs/dbraw/zinc/06/40/70/615064070.db2.gz	DFPCPKFSUYNKLI-GXFFZTMASA-N	-1	0	268.313	0.876	20	30		CCEDRM
CCN1CCOC[C@H]1C(=O)[N-]Oc1cccc(C#N)c1	ZINC000870691902	615167806	/nfs/dbraw/zinc/16/78/06/615167806.db2.gz	SWGQVGVNRJVEOE-ZDUSSCGKSA-N	-1	0	275.308	0.689	20	30		CCEDRM
CCOC1(C(=O)[N-]S(=O)(=O)CC2(C#N)CC2)CCC1	ZINC000850939874	615206156	/nfs/dbraw/zinc/20/61/56/615206156.db2.gz	DOGMPKUSEAALAW-UHFFFAOYSA-N	-1	0	286.353	0.695	20	30		CCEDRM
CCOC1(C(=O)[N-]S(=O)(=O)CC(C)(C)C#N)CCC1	ZINC000850930010	615206549	/nfs/dbraw/zinc/20/65/49/615206549.db2.gz	PJLRLOJMQWCPGM-UHFFFAOYSA-N	-1	0	288.369	0.941	20	30		CCEDRM
CCOC1(C(=O)N[C@H]2CCCN(O)C2=O)CCCC1	ZINC000820476309	615206900	/nfs/dbraw/zinc/20/69/00/615206900.db2.gz	KCHTVLLIOCILLR-JTQLQIEISA-N	-1	0	270.329	0.832	20	30		CCEDRM
CCOC(=O)[C@@H]1CCCN(C(=O)[C@@](C)(C#N)CC(=O)[O-])C1	ZINC000820364591	615285491	/nfs/dbraw/zinc/28/54/91/615285491.db2.gz	OPRMUPTZHLCZRQ-QMTHXVAHSA-N	-1	0	296.323	0.793	20	30		CCEDRM
CCS(=O)(=O)N[C@@H](C)C(=O)Nc1cc(C#N)ccc1[O-]	ZINC000831272613	615351114	/nfs/dbraw/zinc/35/11/14/615351114.db2.gz	XQNUHSZGEKAUCU-QMMMGPOBSA-N	-1	0	297.336	0.530	20	30		CCEDRM
CCO[N-]C(=O)CNC(=O)Cc1ccccc1CC#N	ZINC000846493755	615358633	/nfs/dbraw/zinc/35/86/33/615358633.db2.gz	KYDDXPKUPSYSRA-UHFFFAOYSA-N	-1	0	275.308	0.479	20	30		CCEDRM
CCO[N-]C(=O)CNC(=O)c1cscc1C#N	ZINC000846491948	615373421	/nfs/dbraw/zinc/37/34/21/615373421.db2.gz	VXKDETMFFIGMGZ-UHFFFAOYSA-N	-1	0	253.283	0.417	20	30		CCEDRM
CCOc1cccc(C(=O)N[C@H]2CCN(O)C2=O)c1	ZINC000816695105	615513356	/nfs/dbraw/zinc/51/33/56/615513356.db2.gz	VMQSUXMDEAGKLQ-NSHDSACASA-N	-1	0	264.281	0.805	20	30		CCEDRM
CC[C@@H](NN=Cc1cnc(N(C)C)nc1)C(=O)[O-]	ZINC000814936586	615536504	/nfs/dbraw/zinc/53/65/04/615536504.db2.gz	AUIWGUVRCGKIJI-SECBINFHSA-N	-1	0	251.290	0.329	20	30		CCEDRM
CC[C@@H](O)CNN=Cc1ccc([O-])c([N+](=O)[O-])c1	ZINC000811654578	615542271	/nfs/dbraw/zinc/54/22/71/615542271.db2.gz	YXPLHLYLVFQNST-SECBINFHSA-N	-1	0	253.258	0.995	20	30		CCEDRM
CC[C@@](C)(C#N)C(=O)N1C[C@@H](C)O[C@@H](C(=O)[O-])C1	ZINC000923085019	615587942	/nfs/dbraw/zinc/58/79/42/615587942.db2.gz	BGHIJTDDPFOUAQ-LNLATYFQSA-N	-1	0	254.286	0.627	20	30		CCEDRM
CC[C@H](C)[C@H](NC(=O)CN(C)[C@@H](C)CC#N)C(=O)[O-]	ZINC000828709754	615692074	/nfs/dbraw/zinc/69/20/74/615692074.db2.gz	SWEQIUMOSUCSTK-NHCYSSNCSA-N	-1	0	269.345	0.836	20	30		CCEDRM
CC[C@H](C)[C@H](NC(C)=O)C(=O)N[C@H]1CCCN(O)C1=O	ZINC000848132446	615697457	/nfs/dbraw/zinc/69/74/57/615697457.db2.gz	LJCJLCZDPUJMSV-LSJOCFKGSA-N	-1	0	285.344	0.034	20	30		CCEDRM
CCc1c[nH]c(CC(=O)N[C@H]2CCCN(O)C2=O)n1	ZINC000823162228	615704555	/nfs/dbraw/zinc/70/45/55/615704555.db2.gz	ZAHZPJBKIKXPMF-VIFPVBQESA-N	-1	0	266.301	0.011	20	30		CCEDRM
CCn1ncc2cc(C([O-])=C(C#N)C(=O)NC)c(C)nc21	ZINC000799603578	615717928	/nfs/dbraw/zinc/71/79/28/615717928.db2.gz	JKQSKESBGJLIMS-NSHDSACASA-N	-1	0	285.307	0.828	20	30		CCEDRM
CCc1nc(CC(=O)[N-]S(=O)(=O)CCC#N)cs1	ZINC000821584250	615738985	/nfs/dbraw/zinc/73/89/85/615738985.db2.gz	WEUDSASNIDLXAE-UHFFFAOYSA-N	-1	0	287.366	0.608	20	30		CCEDRM
CCc1ncsc1C(=O)N[C@H]1CCCN(O)C1=O	ZINC000816758323	615791147	/nfs/dbraw/zinc/79/11/47/615791147.db2.gz	MVWYEBOVIOGRJE-QMMMGPOBSA-N	-1	0	269.326	0.816	20	30		CCEDRM
CCc1noc([N-]S(=O)(=O)c2ccc(C#N)nc2)n1	ZINC000820800671	615848772	/nfs/dbraw/zinc/84/87/72/615848772.db2.gz	ABSZFSYJUZSQSP-UHFFFAOYSA-N	-1	0	279.281	0.699	20	30		CCEDRM
CCc1noc2ncc(C([O-])=C(C#N)C(=O)NC)cc12	ZINC000728148045	615853644	/nfs/dbraw/zinc/85/36/44/615853644.db2.gz	UNHLKMDOSXTRLW-SECBINFHSA-N	-1	0	272.264	0.854	20	30		CCEDRM
CC[C@]1(C)NC(=O)N(N=CCCNC(=O)[O-])C1=O	ZINC000826645189	615991684	/nfs/dbraw/zinc/99/16/84/615991684.db2.gz	QDHMXQPGNQTXHB-JTQLQIEISA-N	-1	0	256.262	0.350	20	30		CCEDRM
CC[C@]1(C)NC(=O)N([N-]C(=O)c2ccc(C#N)o2)C1=O	ZINC000816543173	615993054	/nfs/dbraw/zinc/99/30/54/615993054.db2.gz	QEPMYJTZOKNZFE-LBPRGKRZSA-N	-1	0	276.252	0.517	20	30		CCEDRM
CCn1cc(S(=O)(=O)[N-]C(=O)[C@H](C)CC#N)nc1C	ZINC000850920610	616010825	/nfs/dbraw/zinc/01/08/25/616010825.db2.gz	DTJSFFUSJYWVMN-MRVPVSSYSA-N	-1	0	284.341	0.566	20	30		CCEDRM
CN(CC#N)C(=O)C[C@@H]1CSCCN1C(=O)[O-]	ZINC000828085636	616039704	/nfs/dbraw/zinc/03/97/04/616039704.db2.gz	IECHHFUUPHTVEZ-MRVPVSSYSA-N	-1	0	257.315	0.454	20	30		CCEDRM
CN(CCNc1nccc(C#N)c1[N+](=O)[O-])C(=O)[O-]	ZINC000828332041	616097707	/nfs/dbraw/zinc/09/77/07/616097707.db2.gz	DYZJRLRLDHFTBD-UHFFFAOYSA-N	-1	0	265.229	0.883	20	30		CCEDRM
CN(Cc1ccccc1)C(=O)C(C#N)=C([O-])c1cn(C)nn1	ZINC000809003274	616169840	/nfs/dbraw/zinc/16/98/40/616169840.db2.gz	OVVLGSZQDJNFER-GFCCVEGCSA-N	-1	0	297.318	0.796	20	30		CCEDRM
COC(=O)C1(CNC(=O)[C@](C)(C#N)CC(=O)[O-])CCCC1	ZINC000820653541	616360476	/nfs/dbraw/zinc/36/04/76/616360476.db2.gz	LZTURMTZZRJBOM-ZDUSSCGKSA-N	-1	0	296.323	0.841	20	30		CCEDRM
COC/C=C\C(=O)[N-]S(=O)(=O)CC(C)(C)C#N	ZINC000870271559	616408300	/nfs/dbraw/zinc/40/83/00/616408300.db2.gz	XZGWRDFSDDFUMY-PLNGDYQASA-N	-1	0	260.315	0.185	20	30		CCEDRM
COC1(C(=O)N[C@H]2CCC[C@@H]2C#N)CCN(C(=O)[O-])CC1	ZINC000828855450	616429026	/nfs/dbraw/zinc/42/90/26/616429026.db2.gz	DADVDWFFJAPMNR-MNOVXSKESA-N	-1	0	295.339	0.954	20	30		CCEDRM
COCCNC(=O)C(C#N)=C([O-])c1ccc2c(c1)OCO2	ZINC000916889372	616491622	/nfs/dbraw/zinc/49/16/22/616491622.db2.gz	PPJXUBUCGKHNCM-JTQLQIEISA-N	-1	0	290.275	0.500	20	30		CCEDRM
COCCNC(=O)C(C#N)=C([O-])c1cccc2c1OCO2	ZINC000917424852	616491843	/nfs/dbraw/zinc/49/18/43/616491843.db2.gz	QBTCFQWCKJFVMU-JTQLQIEISA-N	-1	0	290.275	0.500	20	30		CCEDRM
COCCNC(=O)C(C#N)=C([O-])c1cnn(CC2CC2)c1	ZINC000870137449	616492433	/nfs/dbraw/zinc/49/24/33/616492433.db2.gz	ZPXYLKJDTCKWSY-LBPRGKRZSA-N	-1	0	290.323	0.378	20	30		CCEDRM
COCCNC(=O)C(C#N)=C([O-])c1cn(C2CCC2)nn1	ZINC000842685117	616496585	/nfs/dbraw/zinc/49/65/85/616496585.db2.gz	RUSDWSZFSLWBOR-SNVBAGLBSA-N	-1	0	291.311	0.088	20	30		CCEDRM
COCCOCc1cc(=O)n(-c2ccc(C#N)cn2)[n-]1	ZINC000905020203	616530910	/nfs/dbraw/zinc/53/09/10/616530910.db2.gz	CHZNLROAGLMXAG-UHFFFAOYSA-N	-1	0	274.280	0.709	20	30		CCEDRM
COC(=O)CN(CC#N)Cc1cc(C(=O)[O-])c(C)o1	ZINC000831163903	616588384	/nfs/dbraw/zinc/58/83/84/616588384.db2.gz	GFDKXIZMHZOYGP-UHFFFAOYSA-N	-1	0	266.253	0.785	20	30		CCEDRM
COC(=O)[C@H](OC(=O)c1cn[nH]n1)c1ccc(C#N)cc1	ZINC000805607652	616643676	/nfs/dbraw/zinc/64/36/76/616643676.db2.gz	NRXNSBFYQVVACL-LLVKDONJSA-N	-1	0	286.247	0.747	20	30		CCEDRM
COCC(C)(C)CC(=O)[N-]S(=O)(=O)CC1(C#N)CC1	ZINC000842332995	616710560	/nfs/dbraw/zinc/71/05/60/616710560.db2.gz	CVLWEYWAZCCCCH-UHFFFAOYSA-N	-1	0	288.369	0.799	20	30		CCEDRM
CNC(=O)C(C#N)=C([O-])c1cc(COC)cs1	ZINC000850764924	616777368	/nfs/dbraw/zinc/77/73/68/616777368.db2.gz	VDQJLTHRWBHORJ-QMMMGPOBSA-N	-1	0	252.295	0.963	20	30		CCEDRM
CNC(=O)C(C#N)=C([O-])c1cnn2c1C[C@@H](C)CC2	ZINC000842687717	616778017	/nfs/dbraw/zinc/77/80/17/616778017.db2.gz	AHNBFLZVNWKXCW-IUCAKERBSA-N	-1	0	260.297	0.534	20	30		CCEDRM
COC[C@@H](C)CC(=O)[N-]S(=O)(=O)c1cncc(C#N)c1	ZINC000813985337	616784696	/nfs/dbraw/zinc/78/46/96/616784696.db2.gz	WVYJXWPPOGRGKL-VIFPVBQESA-N	-1	0	297.336	0.431	20	30		CCEDRM
COC[C@](C)(C#N)NC(=O)CCCCNC(=O)[O-]	ZINC000833883146	616816852	/nfs/dbraw/zinc/81/68/52/616816852.db2.gz	UNIQLJBMJWAIOG-NSHDSACASA-N	-1	0	257.290	0.469	20	30		CCEDRM
CNC(=O)[C@H](C#N)C(=O)[C@H]1CCC[C@@H](C(=O)[O-])C1	ZINC000830968402	616838641	/nfs/dbraw/zinc/83/86/41/616838641.db2.gz	CTCXMPFAIVEQHU-DJLDLDEBSA-N	-1	0	252.270	0.332	20	30		CCEDRM
CNC(=O)C(C#N)=C([O-])c1cccc(OCC(=O)OC)c1	ZINC000918490329	616839479	/nfs/dbraw/zinc/83/94/79/616839479.db2.gz	SLAXTOYVIOAMGL-LLVKDONJSA-N	-1	0	290.275	0.307	20	30		CCEDRM
CNC(=O)C(C#N)=C([O-])c1cnc2cc(C)nn2c1C	ZINC000917002340	616839700	/nfs/dbraw/zinc/83/97/00/616839700.db2.gz	HJRXMMXLRZUNED-SECBINFHSA-N	-1	0	271.280	0.415	20	30		CCEDRM
COCCCCS(=O)(=O)[N-]C(=O)[C@@H](C)CC#N	ZINC000850952041	616868615	/nfs/dbraw/zinc/86/86/15/616868615.db2.gz	MEYDQGVJUCSYRC-VIFPVBQESA-N	-1	0	262.331	0.409	20	30		CCEDRM
COC[C@@H](Cn1c(=O)[n-]cc(C#N)c1=O)C(C)C	ZINC000877890991	616874047	/nfs/dbraw/zinc/87/40/47/616874047.db2.gz	YLUZHSGOEMJOCS-SNVBAGLBSA-N	-1	0	251.286	0.327	20	30		CCEDRM
CO[C@H](C(=O)[N-]S(=O)(=O)CCCC#N)C1CCCC1	ZINC000850926999	616981629	/nfs/dbraw/zinc/98/16/29/616981629.db2.gz	WMRVCCHLEABVMM-NSHDSACASA-N	-1	0	288.369	0.941	20	30		CCEDRM
COCCN(CCC#N)C(=O)C[C@H]1CCCN1C(=O)[O-]	ZINC000828979095	616992070	/nfs/dbraw/zinc/99/20/70/616992070.db2.gz	CMKFTCQGJXUKFY-LLVKDONJSA-N	-1	0	283.328	0.908	20	30		CCEDRM
COC[C@H](C)CN=Nc1oc(C)nc1-c1nnn[n-]1	ZINC000821681893	617049787	/nfs/dbraw/zinc/04/97/87/617049787.db2.gz	UVEMBQRYVVGPKP-ZCFIWIBFSA-N	-1	0	265.277	0.843	20	30		CCEDRM
COC[C@H](C)CC(=O)[N-]S(=O)(=O)CC1(C#N)CC1	ZINC000793196885	617050513	/nfs/dbraw/zinc/05/05/13/617050513.db2.gz	XSCYYFVPZXOBFY-SECBINFHSA-N	-1	0	274.342	0.409	20	30		CCEDRM
CO[C@H]1CCCC[C@H]1C(=O)[N-]S(=O)(=O)CCC#N	ZINC000835409712	617094985	/nfs/dbraw/zinc/09/49/85/617094985.db2.gz	KEFFQWGZOJLPTN-ZJUUUORDSA-N	-1	0	274.342	0.551	20	30		CCEDRM
CON=C(C(=O)[N-]OCC(F)F)c1csc(N)n1	ZINC000821936899	617102997	/nfs/dbraw/zinc/10/29/97/617102997.db2.gz	FVQOUNQQWDHPNB-UHFFFAOYSA-N	-1	0	280.256	0.389	20	30		CCEDRM
CO[C@](C)(C(=O)[N-]S(=O)(=O)CCCC#N)C1CC1	ZINC000813081131	617124923	/nfs/dbraw/zinc/12/49/23/617124923.db2.gz	LLSVGGDGTXPBKX-NSHDSACASA-N	-1	0	274.342	0.551	20	30		CCEDRM
CO[C@]1(CN=Nc2ccc(C(=O)[O-])nc2)CCOC1	ZINC000841641101	617133726	/nfs/dbraw/zinc/13/37/26/617133726.db2.gz	NBQNRYFHNYZKPI-LBPRGKRZSA-N	-1	0	265.269	0.983	20	30		CCEDRM
COc1cc(C(=O)N2CCO[C@H](C(=O)[O-])C2)ccc1C#N	ZINC000851693227	617156581	/nfs/dbraw/zinc/15/65/81/617156581.db2.gz	FFKIBPMZVPBPPL-LBPRGKRZSA-N	-1	0	290.275	0.492	20	30		CCEDRM
CO[C@@H](C)CS(=O)(=O)[N-][C@@H](CC#N)C(F)(F)F	ZINC000901772402	617159693	/nfs/dbraw/zinc/15/96/93/617159693.db2.gz	RVMSMAQAYGAEDY-BQBZGAKWSA-N	-1	0	274.264	0.785	20	30		CCEDRM
CO[C@@H](CNC(=O)[C@](C)(C#N)CC(=O)[O-])C(F)(F)F	ZINC000820696641	617168863	/nfs/dbraw/zinc/16/88/63/617168863.db2.gz	HXAPLHRHMDDJTH-RCOVLWMOSA-N	-1	0	282.218	0.684	20	30		CCEDRM
Cc1[nH]nc(C(=O)N2C[C@@H]3CC[C@@H](NCC#N)[C@H]3C2)c1[O-]	ZINC001026242667	625369309	/nfs/dbraw/zinc/36/93/09/625369309.db2.gz	ODTCBOLNYJLGKD-GARJFASQSA-N	-1	0	289.339	0.388	20	30		CCEDRM
N#Cc1c(F)cccc1S(=O)(=O)NCC1(C(=O)[O-])CC1	ZINC000166998503	623338450	/nfs/dbraw/zinc/33/84/50/623338450.db2.gz	MWZDXOMAVBCTPD-UHFFFAOYSA-N	-1	0	298.295	0.840	20	30		CCEDRM
CC(C)S(=O)(=O)[N-]C(=O)Cn1ccc([N+](=O)[O-])n1	ZINC000049418154	624460602	/nfs/dbraw/zinc/46/06/02/624460602.db2.gz	GBTLYCJSUZXERE-UHFFFAOYSA-N	-1	0	276.274	0.486	20	30		CCEDRM
N#CCN[C@@H]1CCN(C(=O)c2n[n-]c3ccccc3c2=O)C1	ZINC000970147625	624624884	/nfs/dbraw/zinc/62/48/84/624624884.db2.gz	CGFWNQWBUYIFTI-SNVBAGLBSA-N	-1	0	297.318	0.663	20	30		CCEDRM
Cc1ccc2c(c1)C(=O)N(CC(=O)[N-]S(C)(=O)=O)C2=O	ZINC000048479952	624785500	/nfs/dbraw/zinc/78/55/00/624785500.db2.gz	FLOINWULMGLJRB-UHFFFAOYSA-N	-1	0	296.304	0.507	20	30		CCEDRM
C=CCN(CC(=O)[O-])C(=O)N[C@H](C)c1cnn(C)c1	ZINC000312020795	625750538	/nfs/dbraw/zinc/75/05/38/625750538.db2.gz	UYMYUDAUXSJQBT-SECBINFHSA-N	-1	0	266.301	0.763	20	30		CCEDRM
C[C@H](O[C@@H](C)C(=O)N[C@@H](CC#N)C(F)(F)F)C(=O)[O-]	ZINC000905130335	634805157	/nfs/dbraw/zinc/80/51/57/634805157.db2.gz	SYEYJFGRAYDXFH-ACZMJKKPSA-N	-1	0	282.218	0.825	20	30		CCEDRM
Cc1c(C(=O)[N-]S(=O)(=O)c2cnn(C)c2)cnn1C	ZINC000048519995	631730390	/nfs/dbraw/zinc/73/03/90/631730390.db2.gz	NCLABWJPXYMUJR-UHFFFAOYSA-N	-1	0	283.313	0.156	20	30		CCEDRM
Cc1ccn2cc(C(=O)[N-]S(C)(=O)=O)nc2c1	ZINC000042279460	633897483	/nfs/dbraw/zinc/89/74/83/633897483.db2.gz	HIEXYEZHJSPDGO-UHFFFAOYSA-N	-1	0	253.283	0.907	20	30		CCEDRM
COc1ccccc1OCC(=O)[N-]S(C)(=O)=O	ZINC000042280524	633898275	/nfs/dbraw/zinc/89/82/75/633898275.db2.gz	ARKNNUAJXKJHFE-UHFFFAOYSA-N	-1	0	259.283	0.990	20	30		CCEDRM
O=C([O-])c1ccc(C=NN2CCC[C@@H]2CO)cc1O	ZINC000901252482	634215163	/nfs/dbraw/zinc/21/51/63/634215163.db2.gz	GZZZJYNHUMJVHU-SNVBAGLBSA-N	-1	0	264.281	0.881	20	30		CCEDRM
Cc1nnc(N=NCc2cc(C(=O)[O-])cn2C)n1C	ZINC000901264525	634219543	/nfs/dbraw/zinc/21/95/43/634219543.db2.gz	GMLJKEIBYMYLGP-UHFFFAOYSA-N	-1	0	262.273	0.606	20	30		CCEDRM
C[C@H]1CN(S(=O)(=O)CC(C)(C)C#N)CC[C@H]1C(=O)[O-]	ZINC000905991500	634945488	/nfs/dbraw/zinc/94/54/88/634945488.db2.gz	RCBQZYCMLDCKEK-VHSXEESVSA-N	-1	0	288.369	0.909	20	30		CCEDRM
C[C@H](CC#N)C(=O)N1CCSC[C@@H]1c1nnn[n-]1	ZINC000907480122	635140500	/nfs/dbraw/zinc/14/05/00/635140500.db2.gz	LMSPMTWSATWSFL-HTQZYQBOSA-N	-1	0	266.330	0.366	20	30		CCEDRM
Cc1cc(C(=O)N(C)c2nnn[n-]2)cc(C)c1C#N	ZINC000912617888	636612177	/nfs/dbraw/zinc/61/21/77/636612177.db2.gz	KPUDNWXAXYIYAW-UHFFFAOYSA-N	-1	0	256.269	0.965	20	30		CCEDRM
N#CCSCC(=O)[N-]S(=O)(=O)CC1CCC1	ZINC000164868018	636885114	/nfs/dbraw/zinc/88/51/14/636885114.db2.gz	HTCNWPPDDSDOTM-UHFFFAOYSA-N	-1	0	262.356	0.489	20	30		CCEDRM
C#C[C@@H](CC)NS(=O)(=O)c1ccc(OCC(=O)[O-])cc1	ZINC000229870713	637134963	/nfs/dbraw/zinc/13/49/63/637134963.db2.gz	MWBLLFUSJMCUIR-JTQLQIEISA-N	-1	0	297.332	0.840	20	30		CCEDRM
C#CCSCCNC(=O)N[C@@H](C(=O)[O-])C1CC1	ZINC000231960454	637237380	/nfs/dbraw/zinc/23/73/80/637237380.db2.gz	AZWXDMIWXNIZBS-SECBINFHSA-N	-1	0	256.327	0.515	20	30		CCEDRM
O=C1[N-]C(=O)C(=NNc2ccc(F)c(Cl)c2)C(=O)N1	ZINC000916626276	637910360	/nfs/dbraw/zinc/91/03/60/637910360.db2.gz	HZJTUTFFNGPXJE-UHFFFAOYSA-N	-1	0	284.634	0.613	20	30		CCEDRM
Cc1ccc(Cl)cc1NN=C1C(=O)[N-]C(=O)NC1=O	ZINC000916625515	637911101	/nfs/dbraw/zinc/91/11/01/637911101.db2.gz	IWRGUFCDVITWIW-UHFFFAOYSA-N	-1	0	280.671	0.782	20	30		CCEDRM
Cc1cc2nc(C)cc(C([O-])=C(C#N)C(=O)NC3CC3)n2n1	ZINC000917427633	637970454	/nfs/dbraw/zinc/97/04/54/637970454.db2.gz	ZOINADJYXZFJGY-NSHDSACASA-N	-1	0	297.318	0.947	20	30		CCEDRM
Cc1n[nH]c(C(=O)N[C@@H](C)C2CCN(CC#N)CC2)c1[O-]	ZINC000997546502	638875800	/nfs/dbraw/zinc/87/58/00/638875800.db2.gz	GFJLAAFCWXPGQU-VIFPVBQESA-N	-1	0	291.355	0.778	20	30		CCEDRM
N#C[C@@]1(C(=O)N2CCO[C@@H](C(=O)[O-])C2)CC12CCCC2	ZINC000923059539	640011175	/nfs/dbraw/zinc/01/11/75/640011175.db2.gz	YSDAMBLMHMQLGK-QMTHXVAHSA-N	-1	0	278.308	0.772	20	30		CCEDRM
C[C@@H](CN(C)C(=O)[C@]1(C#N)CCCOC1)C(=O)[O-]	ZINC000923063232	640013292	/nfs/dbraw/zinc/01/32/92/640013292.db2.gz	WVEWIEWXCIVYKJ-CABZTGNLSA-N	-1	0	254.286	0.486	20	30		CCEDRM
C[C@@H]1[C@H](C(=O)[O-])CCN1C(=O)[C@@]1(C#N)CCCOC1	ZINC000923083445	640017463	/nfs/dbraw/zinc/01/74/63/640017463.db2.gz	YRCYLMHOSVHFLY-GIPNMCIBSA-N	-1	0	266.297	0.628	20	30		CCEDRM
CC[C@](C)(C#N)C(=O)N1CCO[C@@](C)(C(=O)[O-])C1	ZINC000923099294	640021493	/nfs/dbraw/zinc/02/14/93/640021493.db2.gz	ASMISVDKMVLCFP-VXGBXAGGSA-N	-1	0	254.286	0.628	20	30		CCEDRM
N#CC1(CS(=O)(=O)[N-]C(=O)Cc2ccc(F)cn2)CC1	ZINC000805916041	640441262	/nfs/dbraw/zinc/44/12/62/640441262.db2.gz	QBUKDNZSDGDYFK-UHFFFAOYSA-N	-1	0	297.311	0.513	20	30		CCEDRM
CC#CCS(=O)(=O)[N-]C(=O)c1ccccc1F	ZINC000791110973	640445664	/nfs/dbraw/zinc/44/56/64/640445664.db2.gz	IUSXRPQOXOXPBN-UHFFFAOYSA-N	-1	0	255.270	0.909	20	30		CCEDRM
N#Cc1ccc([O-])c(NC(=O)[C@H]2CCCC(=O)N2)c1	ZINC000799713393	640593921	/nfs/dbraw/zinc/59/39/21/640593921.db2.gz	WBWWQZSFQWTATC-SECBINFHSA-N	-1	0	259.265	0.871	20	30		CCEDRM
N#Cc1cncc(S(=O)(=O)[N-]C(=O)C[C@@H]2CCCO2)c1	ZINC000813984847	641052000	/nfs/dbraw/zinc/05/20/00/641052000.db2.gz	CYQZIHSYPOHYPV-JTQLQIEISA-N	-1	0	295.320	0.327	20	30		CCEDRM
COc1nc(C(=O)OCCOCCC#N)cc(=O)[n-]1	ZINC000815233249	641100715	/nfs/dbraw/zinc/10/07/15/641100715.db2.gz	DZQGMTFUEULXRX-UHFFFAOYSA-N	-1	0	267.241	0.278	20	30		CCEDRM
O=C(N[C@H]1CCN(O)C1=O)c1cccc([N+](=O)[O-])c1[O-]	ZINC000816695389	641197788	/nfs/dbraw/zinc/19/77/88/641197788.db2.gz	BBLZKQNINNAXMY-ZETCQYMHSA-N	-1	0	281.224	0.020	20	30		CCEDRM
N#CC1(CS(=O)(=O)[N-]C(=O)/C=C\[C@@H]2CCCO2)CC1	ZINC000820595154	641519729	/nfs/dbraw/zinc/51/97/29/641519729.db2.gz	WCJCEOUHSKUSMC-XOULXFPDSA-N	-1	0	284.337	0.471	20	30		CCEDRM
N#Cc1cn(CCC(=O)N2CCC[C@@H]3C[C@@H]32)c(=O)[n-]c1=O	ZINC000822856084	641708397	/nfs/dbraw/zinc/70/83/97/641708397.db2.gz	FHGOXTRSOHOUKR-KOLCDFICSA-N	-1	0	288.307	0.222	20	30		CCEDRM
C[C@@]1(C(=O)[N-]Oc2cccc(C#N)c2)CCC(=O)N1	ZINC000825268680	641878249	/nfs/dbraw/zinc/87/82/49/641878249.db2.gz	VHZQKNNPXMWQAO-ZDUSSCGKSA-N	-1	0	259.265	0.637	20	30		CCEDRM
N#CCCCS(=O)(=O)[N-]C(=O)[C@H]1CCC(=O)C1	ZINC000842750341	641921265	/nfs/dbraw/zinc/92/12/65/641921265.db2.gz	OTZRZKLUJWPBLD-QMMMGPOBSA-N	-1	0	258.299	0.105	20	30		CCEDRM
N#Cc1c[n-]n2c1nc(COC(=O)C1(F)CC1)cc2=O	ZINC000830765336	642291455	/nfs/dbraw/zinc/29/14/55/642291455.db2.gz	PJMBOPYADXKCBH-UHFFFAOYSA-N	-1	0	276.227	0.852	20	30		CCEDRM
C#CCO[C@@H](C)C(=O)[N-]S(=O)(=O)C[C@@H]1CCCCO1	ZINC000835126479	642648924	/nfs/dbraw/zinc/64/89/24/642648924.db2.gz	HUDJFISTQIFVBL-QWRGUYRKSA-N	-1	0	289.353	0.040	20	30		CCEDRM
N#CCCS(=O)(=O)[N-]C(=O)CN1CCc2ccccc21	ZINC000835408457	642660806	/nfs/dbraw/zinc/66/08/06/642660806.db2.gz	IPVUVROXYWCSFV-UHFFFAOYSA-N	-1	0	293.348	0.409	20	30		CCEDRM
C[S@@](=O)(=NS(=O)(=O)[N-]CCC#N)c1ccccc1	ZINC000867201341	642716083	/nfs/dbraw/zinc/71/60/83/642716083.db2.gz	JCJWDXBAYVSDON-KRWDZBQOSA-N	-1	0	287.366	0.891	20	30		CCEDRM
C[C@@H](CO)N(C)N=Cc1[nH]nc2cc(C(=O)[O-])ccc21	ZINC000842541160	642909318	/nfs/dbraw/zinc/90/93/18/642909318.db2.gz	FYTNVLOZQVGROY-QMMMGPOBSA-N	-1	0	276.296	0.908	20	30		CCEDRM
C[C@H](C#N)CN(C)S(=O)(=O)NCC[C@H](C)C(=O)[O-]	ZINC000844784330	643248485	/nfs/dbraw/zinc/24/84/85/643248485.db2.gz	FIPBBFGIKAEPSC-BDAKNGLRSA-N	-1	0	277.346	0.023	20	30		CCEDRM
N#CCC1(CS(=O)(=O)NC[C@@H](F)C(=O)[O-])CC1	ZINC000844797959	643249517	/nfs/dbraw/zinc/24/95/17/643249517.db2.gz	CSJHBDOFSQFZPZ-SSDOTTSWSA-N	-1	0	264.278	0.022	20	30		CCEDRM
O=C([O-])C#CC1CCN(S(=O)(=O)c2cccnc2)CC1	ZINC000844819755	643250829	/nfs/dbraw/zinc/25/08/29/643250829.db2.gz	WNPKUWAKNUYMAG-UHFFFAOYSA-N	-1	0	294.332	0.570	20	30		CCEDRM
C[C@@H](CC(=O)[N-]S(=O)(=O)CC1(C#N)CC1)n1ccnc1	ZINC000845510550	643324341	/nfs/dbraw/zinc/32/43/41/643324341.db2.gz	HWGRWSVLFPBOCI-JTQLQIEISA-N	-1	0	296.352	0.584	20	30		CCEDRM
O=C(N[C@@H]1CCCN(O)C1=O)c1cc([N+](=O)[O-])ccc1[O-]	ZINC000848136737	643606865	/nfs/dbraw/zinc/60/68/65/643606865.db2.gz	ZRBKQVPIOASSSE-SECBINFHSA-N	-1	0	295.251	0.410	20	30		CCEDRM
N#C[C@@H]1CN(C(=O)c2nn(-c3ccccc3)cc2[O-])CCO1	ZINC000173162009	643616908	/nfs/dbraw/zinc/61/69/08/643616908.db2.gz	VCZBEICZKUSLCM-GFCCVEGCSA-N	-1	0	298.302	0.942	20	30		CCEDRM
Cc1cc(C)nc(N=NCc2c(C(=O)[O-])cnn2C)n1	ZINC000848399250	643632077	/nfs/dbraw/zinc/63/20/77/643632077.db2.gz	OPNLYYGPHMFXRQ-UHFFFAOYSA-N	-1	0	274.284	0.971	20	30		CCEDRM
N#CC(C(=O)N1CCCC1)=C([O-])c1ccn2nnnc2c1	ZINC000850751311	643811390	/nfs/dbraw/zinc/81/13/90/643811390.db2.gz	AGXJEZSFRPWPNV-JTQLQIEISA-N	-1	0	284.279	0.069	20	30		CCEDRM
C[C@@H](CC#N)C(=O)[N-]S(=O)(=O)[C@H]1CCCOC1	ZINC000850933990	643822476	/nfs/dbraw/zinc/82/24/76/643822476.db2.gz	NXIWUPVJFWVUHH-IUCAKERBSA-N	-1	0	260.315	0.161	20	30		CCEDRM
C[C@H](CC#N)C(=O)[N-]S(=O)(=O)c1ccc2c(c1)OCO2	ZINC000850925761	643822737	/nfs/dbraw/zinc/82/27/37/643822737.db2.gz	IAYYJRGHQDJSDN-MRVPVSSYSA-N	-1	0	296.304	0.770	20	30		CCEDRM
C[C@H](CC#N)C(=O)[N-]S(=O)(=O)c1cnc2n1CCC2	ZINC000850971443	643824283	/nfs/dbraw/zinc/82/42/83/643824283.db2.gz	LTCISFUPFNLGRE-MRVPVSSYSA-N	-1	0	282.325	0.184	20	30		CCEDRM
N#Cc1nc(F)ccc1O[C@@H]1CCN(CC(=O)[O-])C1=O	ZINC000853002464	644067390	/nfs/dbraw/zinc/06/73/90/644067390.db2.gz	NEKCNBZOXLGZPW-SECBINFHSA-N	-1	0	279.227	0.157	20	30		CCEDRM
N#Cc1ccc(S(=O)(=O)N[C@@H]2CC=C(C(=O)[O-])C2)o1	ZINC000853070344	644072118	/nfs/dbraw/zinc/07/21/18/644072118.db2.gz	XIPUQYROIXRABL-MRVPVSSYSA-N	-1	0	282.277	0.603	20	30		CCEDRM
N#CC1(C(=O)[N-]OCCN2CCCC2=O)CCC1	ZINC000856040201	644382386	/nfs/dbraw/zinc/38/23/86/644382386.db2.gz	ATVAOKUVACFEPU-UHFFFAOYSA-N	-1	0	251.286	0.350	20	30		CCEDRM
N#Cc1ccc(C(=O)[N-]S(=O)(=O)N2CCCC2)cn1	ZINC000115908324	650923845	/nfs/dbraw/zinc/92/38/45/650923845.db2.gz	NHXJNNGWLGWKLK-UHFFFAOYSA-N	-1	0	280.309	0.024	20	30		CCEDRM
N#CCCS(=O)(=O)[N-]C(=O)[C@H]1[C@@H]2c3ccccc3C[C@H]12	ZINC000860753313	644826738	/nfs/dbraw/zinc/82/67/38/644826738.db2.gz	VDRHQTYSNAKRPS-YNEHKIRRSA-N	-1	0	290.344	0.932	20	30		CCEDRM
N#CCCS(=O)(=O)[N-]C(=O)[C@H]1CCCC12CC2	ZINC000860751537	644826796	/nfs/dbraw/zinc/82/67/96/644826796.db2.gz	FKGWJHARFPMYAQ-SECBINFHSA-N	-1	0	256.327	0.926	20	30		CCEDRM
C[C@@]1([N-]C(=O)C(F)(F)F)CCN(c2cnc(C#N)cn2)C1	ZINC000866285567	645513932	/nfs/dbraw/zinc/51/39/32/645513932.db2.gz	NPWDAFVDEXSAQW-LLVKDONJSA-N	-1	0	299.256	0.996	20	30		CCEDRM
CC#CC[C@H](CO)[N-]S(=O)(=O)N=S(=O)(CC)CC	ZINC000867454659	645616369	/nfs/dbraw/zinc/61/63/69/645616369.db2.gz	ISRQLCYEMDHAKM-SNVBAGLBSA-N	-1	0	296.414	0.103	20	30		CCEDRM
Cc1cc(S(=O)(=O)[N-]N2CCCC2=O)ccc1C#N	ZINC000867593880	645636295	/nfs/dbraw/zinc/63/62/95/645636295.db2.gz	ZLVAEMYXFZNGDO-UHFFFAOYSA-N	-1	0	279.321	0.682	20	30		CCEDRM
C[C@H](C(=O)[O-])C(=O)N1CCN(c2ccc(C#N)cc2)CC1	ZINC000868452686	645771837	/nfs/dbraw/zinc/77/18/37/645771837.db2.gz	OROVJFZWIDDGIW-NSHDSACASA-N	-1	0	287.319	0.928	20	30		CCEDRM
O=Cc1cc(C(=O)N[C@@H]2CCCN(O)C2=O)ccc1F	ZINC000868562516	645786896	/nfs/dbraw/zinc/78/68/96/645786896.db2.gz	GOZKREAETRJSIN-LLVKDONJSA-N	-1	0	280.255	0.748	20	30		CCEDRM
C[C@]1(C(=O)[N-]S(=O)(=O)c2ccc(C#N)cc2)CCCO1	ZINC000119774320	651054750	/nfs/dbraw/zinc/05/47/50/651054750.db2.gz	NJPZVISGGDAZHB-CYBMUJFWSA-N	-1	0	294.332	0.932	20	30		CCEDRM
C[C@@H]1C[C@@H](C(=O)[N-]S(=O)(=O)CC(C)(C)C#N)[C@@H](C)O1	ZINC000870270140	645976691	/nfs/dbraw/zinc/97/66/91/645976691.db2.gz	ASSZTPOSURUAGR-OPRDCNLKSA-N	-1	0	288.369	0.796	20	30		CCEDRM
CC#CCS(=O)(=O)[N-]C(=O)c1cn2c(n1)C[C@@H](C)CC2	ZINC000870330710	645983856	/nfs/dbraw/zinc/98/38/56/645983856.db2.gz	HKVBKWJZTPUAEP-JTQLQIEISA-N	-1	0	295.364	0.548	20	30		CCEDRM
N#CCCS(=O)(=O)[N-]C(=O)[C@]12CCC[C@H]1OCC2	ZINC000870351639	645984684	/nfs/dbraw/zinc/98/46/84/645984684.db2.gz	SOEZETZOXJNMPN-KOLCDFICSA-N	-1	0	272.326	0.305	20	30		CCEDRM
N#Cc1cccc(O[N-]C(=O)CN2CCCS2(=O)=O)c1	ZINC000870692492	646017776	/nfs/dbraw/zinc/01/77/76/646017776.db2.gz	GHOKPFGYDFXYSY-UHFFFAOYSA-N	-1	0	295.320	0.004	20	30		CCEDRM
N#Cc1cnn(C([O-])=CS(=O)(=O)C2CCCC2)c1N	ZINC000124100775	646263646	/nfs/dbraw/zinc/26/36/46/646263646.db2.gz	DSEOBTGLZCXFTQ-UHFFFAOYSA-N	-1	0	282.325	0.335	20	30		CCEDRM
C#CCN(Cc1cc(=O)n2[n-]ccc2n1)C1CSC1	ZINC000878910991	646996957	/nfs/dbraw/zinc/99/69/57/646996957.db2.gz	CSLWSODPATUNTH-UHFFFAOYSA-N	-1	0	274.349	0.573	20	30		CCEDRM
N#CC1(Cn2cc(C[N-]C(=O)C(F)(F)F)nn2)CC1	ZINC000881308181	647300354	/nfs/dbraw/zinc/30/03/54/647300354.db2.gz	VBWOOPCGLARFBT-UHFFFAOYSA-N	-1	0	273.218	0.760	20	30		CCEDRM
O=C(Nc1nnn[n-]1)c1cccc(Br)n1	ZINC000028258557	647541606	/nfs/dbraw/zinc/54/16/06/647541606.db2.gz	UWZZRLXVGLJXEV-UHFFFAOYSA-N	-1	0	269.062	0.994	20	30		CCEDRM
C[C@@]1([N-]C(=O)C(F)(F)F)CCN(C[C@H](O)CC#N)C1	ZINC000931568892	649006662	/nfs/dbraw/zinc/00/66/62/649006662.db2.gz	NITHNPGQAZIFRK-PSASIEDQSA-N	-1	0	279.262	0.404	20	30		CCEDRM
CS(=O)(=O)[N-]C(=O)c1cn(-c2ccccc2)nn1	ZINC000048487103	649322122	/nfs/dbraw/zinc/32/21/22/649322122.db2.gz	FPRKKPYXEQKOBJ-UHFFFAOYSA-N	-1	0	266.282	0.532	20	30		CCEDRM
COc1ccc(OC)c(C(=O)[N-]S(C)(=O)=O)c1	ZINC000048479914	649322328	/nfs/dbraw/zinc/32/23/28/649322328.db2.gz	AWEFIPWDDIFLIJ-UHFFFAOYSA-N	-1	0	259.283	0.968	20	30		CCEDRM
CC(=O)N[C@H](C)C(=O)[N-]S(=O)(=O)c1ccccc1F	ZINC000075799281	649361491	/nfs/dbraw/zinc/36/14/91/649361491.db2.gz	YNGKPTKZAIDETL-SSDOTTSWSA-N	-1	0	288.300	0.996	20	30		CCEDRM
C#CCN(CC(=O)[O-])S(=O)(=O)c1ccc(C)s1	ZINC000092479723	649724114	/nfs/dbraw/zinc/72/41/14/649724114.db2.gz	YTZQVYSKATWUCR-UHFFFAOYSA-N	-1	0	273.335	0.765	20	30		CCEDRM
C[C@](C#N)(CC(=O)[O-])C(=O)NCCC1(CO)CC1	ZINC001573363740	958609017	/nfs/dbraw/zinc/60/90/17/958609017.db2.gz	LKHSLCSVUKNVNS-LLVKDONJSA-N	-1	0	254.286	0.270	20	30		CCEDRM
C=CCOC[C@@H](CS(=O)(=O)[O-])OCc1noc(C)n1	ZINC001210602319	790927814	/nfs/dbraw/zinc/92/78/14/790927814.db2.gz	OREJMCRIHYGQSP-VIFPVBQESA-N	-1	0	292.313	0.354	20	30		CCEDRM
COC(=O)[C@@H]1CN(Cc2cc(C#N)ccc2[O-])CCO1	ZINC001232673649	805967141	/nfs/dbraw/zinc/96/71/41/805967141.db2.gz	KLMQFXVUZMSMDA-ZDUSSCGKSA-N	-1	0	276.292	0.638	20	30		CCEDRM
COC(=O)[C@H](CCC(=O)[O-])NC(=O)C(C)(C)C#N	ZINC001143404273	791293843	/nfs/dbraw/zinc/29/38/43/791293843.db2.gz	ZODMDIHBMVJQEB-ZETCQYMHSA-N	-1	0	256.258	0.059	20	30		CCEDRM
C=C1CCC(CNC(=O)Cn2cc(C(=O)[O-])nn2)CC1	ZINC000724441179	791525976	/nfs/dbraw/zinc/52/59/76/791525976.db2.gz	SUVMIOOLNQDFON-UHFFFAOYSA-N	-1	0	278.312	0.839	20	30		CCEDRM
COC(=O)C1=NC(C(=O)OC)C([O-])=C1O[C@@H]1C=CC(=O)C1	ZINC001234353833	806229599	/nfs/dbraw/zinc/22/95/99/806229599.db2.gz	DAIYFCSNSUOLCI-SSDOTTSWSA-N	-1	0	295.247	0.570	20	30		CCEDRM
CC(C)CSCCNc1[n-]c(=O)n(C)c(=O)c1C#N	ZINC001120829063	798944799	/nfs/dbraw/zinc/94/47/99/798944799.db2.gz	ZNQICMIRUAGCPE-UHFFFAOYSA-N	-1	0	282.369	0.746	20	30		CCEDRM
Cn1c(=O)[n-]c(N2OC3CCC2CC3)c(C#N)c1=O	ZINC001120868824	798952462	/nfs/dbraw/zinc/95/24/62/798952462.db2.gz	YCSIQFIQKXQFCR-UHFFFAOYSA-N	-1	0	262.269	0.008	20	30		CCEDRM
C=CCO[N-]C(=O)C(=O)Nc1cnn(C2CCC2)c1	ZINC001120987793	798977706	/nfs/dbraw/zinc/97/77/06/798977706.db2.gz	PXZPKTUSIOFWJU-UHFFFAOYSA-N	-1	0	264.285	0.780	20	30		CCEDRM
C=CCO[N-]C(=O)C(=O)Nc1cn(C)nc1C(F)F	ZINC001120986799	798977737	/nfs/dbraw/zinc/97/77/37/798977737.db2.gz	BEJDUCPBOXJHKD-UHFFFAOYSA-N	-1	0	274.227	0.530	20	30		CCEDRM
COCCNC(=O)C(C#N)=C([O-])c1cncc(Cl)c1	ZINC001122449173	799237607	/nfs/dbraw/zinc/23/76/07/799237607.db2.gz	QQIIJNVRJWVFTI-SNVBAGLBSA-N	-1	0	281.699	0.820	20	30		CCEDRM
C=CCCOCC(=O)NC[C@H](C(=O)[O-])[C@@H]1CCOC1	ZINC001123400368	799406141	/nfs/dbraw/zinc/40/61/41/799406141.db2.gz	VVULHSHSOQITLJ-MNOVXSKESA-N	-1	0	271.313	0.433	20	30		CCEDRM
C#C[C@H](C)N(C)c1nnc(-c2cc(=O)[nH][n-]2)n1CC1CC1	ZINC001123681711	799453400	/nfs/dbraw/zinc/45/34/00/799453400.db2.gz	VBUAEJLQXYYFSZ-VIFPVBQESA-N	-1	0	286.339	0.370	20	30		CCEDRM
N#CCSCC(=O)N1CCC[C@H](Cc2nnn[n-]2)C1	ZINC001123914341	799503580	/nfs/dbraw/zinc/50/35/80/799503580.db2.gz	NZPVDYUVEZTNFD-SECBINFHSA-N	-1	0	280.357	0.238	20	30		CCEDRM
N#Cc1ccc(C(=O)NCc2nc(=O)o[n-]2)c(F)c1	ZINC001137740473	799685769	/nfs/dbraw/zinc/68/57/69/799685769.db2.gz	IXCFSZAALUZOAG-UHFFFAOYSA-N	-1	0	262.200	0.304	20	30		CCEDRM
N=C(Nc1nccnc1CC(=O)[O-])c1nccs1	ZINC001157495580	801401971	/nfs/dbraw/zinc/40/19/71/801401971.db2.gz	ULZZDPUQRJXNIT-UHFFFAOYSA-N	-1	0	263.282	0.597	20	30		CCEDRM
C=CCS(=O)(=O)[N-]c1nc(N(C)C)[nH]c(=O)c1N=O	ZINC001259922903	808804097	/nfs/dbraw/zinc/80/40/97/808804097.db2.gz	KTHWNDTZKGDCDN-UHFFFAOYSA-N	-1	0	287.301	0.574	20	30		CCEDRM
C=CCO[C@@H]1CCN(C(=O)CSCC(=O)[O-])C1	ZINC001261893027	809122975	/nfs/dbraw/zinc/12/29/75/809122975.db2.gz	GFGXXCIABFNPBW-SECBINFHSA-N	-1	0	259.327	0.608	20	30		CCEDRM
Cc1n[nH]c(C(=O)NCCC2(CNCC#N)CC2)c1[O-]	ZINC001164103463	802667296	/nfs/dbraw/zinc/66/72/96/802667296.db2.gz	ZSCUMLDUVLAQDR-UHFFFAOYSA-N	-1	0	277.328	0.437	20	30		CCEDRM
N#Cc1ncccc1[N-]S(=O)(=O)c1ccc(N)c(N)c1	ZINC001210147368	803639752	/nfs/dbraw/zinc/63/97/52/803639752.db2.gz	DBDDWQRHVQTXBH-UHFFFAOYSA-N	-1	0	289.320	0.918	20	30		CCEDRM
N#Cc1cc(NC(=O)[C@@H]2COCN2)c([O-])cc1F	ZINC001219068305	804189995	/nfs/dbraw/zinc/18/99/95/804189995.db2.gz	ORRSUNZOSJXICZ-VIFPVBQESA-N	-1	0	251.217	0.287	20	30		CCEDRM
C=CCC[C@@H](NC(=O)Nc1cnn(C)c1)C(=O)[O-]	ZINC000316118112	804671605	/nfs/dbraw/zinc/67/16/05/804671605.db2.gz	QYESIFVPYBYDEH-SECBINFHSA-N	-1	0	252.274	0.961	20	30		CCEDRM
C=CCC[C@@H](NS(=O)(=O)c1cncc(F)c1)C(=O)[O-]	ZINC000316228067	804681615	/nfs/dbraw/zinc/68/16/15/804681615.db2.gz	BIBSBUYFHYZPCQ-SNVBAGLBSA-N	-1	0	288.300	0.918	20	30		CCEDRM
C=CCCC(=O)N1C[C@H]2CCN(Cc3n[nH]c(=O)[n-]3)C[C@H]21	ZINC001221429047	804814621	/nfs/dbraw/zinc/81/46/21/804814621.db2.gz	FNVHWIPFQSRZLU-GHMZBOCLSA-N	-1	0	291.355	0.509	20	30		CCEDRM
N#Cc1cccc(COC(=O)[C@H](O)CCC(=O)[O-])n1	ZINC001223060524	804952688	/nfs/dbraw/zinc/95/26/88/804952688.db2.gz	VMHWNNLMBBAOSE-SNVBAGLBSA-N	-1	0	264.237	0.222	20	30		CCEDRM
C=CCOC[C@@H](CS(=O)(=O)[O-])Oc1ccc(C#N)nc1	ZINC001225500838	805135953	/nfs/dbraw/zinc/13/59/53/805135953.db2.gz	ZJNFULRNCOQTDY-LBPRGKRZSA-N	-1	0	298.320	0.791	20	30		CCEDRM
C=C[C@@H](Oc1nc(C(=O)OC)cc(=O)[n-]1)C(=O)OC	ZINC001225729630	805153803	/nfs/dbraw/zinc/15/38/03/805153803.db2.gz	BTTMSGNDZHAHFU-SSDOTTSWSA-N	-1	0	268.225	0.075	20	30		CCEDRM
N#Cc1cc(OC(=O)[C@H](O)CCC(=O)[O-])ccc1F	ZINC001225821288	805165498	/nfs/dbraw/zinc/16/54/98/805165498.db2.gz	ZAXUPXLPNQBXLC-SNVBAGLBSA-N	-1	0	267.212	0.828	20	30		CCEDRM
CN1CCO[C@H](COc2[n-]c(=O)c(F)cc2C#N)C1=O	ZINC001226009029	805185489	/nfs/dbraw/zinc/18/54/89/805185489.db2.gz	QLEZNEUWNLWLKN-SECBINFHSA-N	-1	0	281.243	0.034	20	30		CCEDRM
CC1(C)OC[C@H](COc2nccc(/C=N/O)n2)O1	ZINC001226254321	805211320	/nfs/dbraw/zinc/21/13/20/805211320.db2.gz	WBURDUQVOKHXOK-DHIBQTOVSA-N	-1	0	253.258	0.815	20	30		CCEDRM
C=CC(C)(C)C(=O)NCC1(NCc2n[nH]c(=O)[n-]2)CC1	ZINC001277139928	805252244	/nfs/dbraw/zinc/25/22/44/805252244.db2.gz	FQMIHDOYESSXDF-UHFFFAOYSA-N	-1	0	279.344	0.461	20	30		CCEDRM
CC[C@H](C#CC(=O)OC)Oc1[n-]c(=O)nc2cnccc21	ZINC001226976509	805300802	/nfs/dbraw/zinc/30/08/02/805300802.db2.gz	PHKHMPYXJJNMGB-SECBINFHSA-N	-1	0	287.275	0.652	20	30		CCEDRM
C#C[C@H](Oc1cc(=O)[n-]c(OC)n1)C(=O)OCC	ZINC001227000468	805306727	/nfs/dbraw/zinc/30/67/27/805306727.db2.gz	KIRJNRGTTCDJKI-ZETCQYMHSA-N	-1	0	252.226	0.135	20	30		CCEDRM
Cc1cc(OC(=O)[C@@H](O)CC(=O)[O-])cnc1C#N	ZINC001227345681	805343882	/nfs/dbraw/zinc/34/38/82/805343882.db2.gz	BXCZNSLNBFSHOU-VIFPVBQESA-N	-1	0	250.210	0.003	20	30		CCEDRM
N#CCCN1CC(Oc2[n-]ncc(=O)c2Cl)C1	ZINC001228390759	805442808	/nfs/dbraw/zinc/44/28/08/805442808.db2.gz	OYEHANHTTBIRGD-UHFFFAOYSA-N	-1	0	254.677	0.812	20	30		CCEDRM
CC[C@H](C#CC(=O)OC)Oc1[n-]c(=O)nc2ncn(C)c21	ZINC001228675411	805468357	/nfs/dbraw/zinc/46/83/57/805468357.db2.gz	UBYTWKBVRNLKPS-MRVPVSSYSA-N	-1	0	290.279	0.403	20	30		CCEDRM
CCOC(=O)[C@H](C#N)[N-]S(=O)(=O)Cc1ccccc1	ZINC001252917763	807986598	/nfs/dbraw/zinc/98/65/98/807986598.db2.gz	KNEDPKSZYFKFJT-NSHDSACASA-N	-1	0	282.321	0.561	20	30		CCEDRM
N#Cc1ccnnc1[N-]S(=O)(=O)CC(F)(F)F	ZINC001253123714	808006869	/nfs/dbraw/zinc/00/68/69/808006869.db2.gz	JJOZHORNKVUTRG-UHFFFAOYSA-N	-1	0	266.204	0.652	20	30		CCEDRM
C=CCCCCCC[C@H](O)CN=c1nn[n-]n1C	ZINC001253229955	808039424	/nfs/dbraw/zinc/03/94/24/808039424.db2.gz	UBUADVQWQNLGHU-NSHDSACASA-N	-1	0	253.350	0.931	20	30		CCEDRM
CCS(=O)(=O)[N-]c1c(C)cc(C#N)cc1C(=O)NC	ZINC001253367219	808049460	/nfs/dbraw/zinc/04/94/60/808049460.db2.gz	VNVUXPMWVAFLCR-UHFFFAOYSA-N	-1	0	281.337	0.988	20	30		CCEDRM
N#Cc1ccc(-c2cn(CCOCCC(=O)[O-])nn2)cn1	ZINC001254090602	808180088	/nfs/dbraw/zinc/18/00/88/808180088.db2.gz	NNGKWFYQAOLTEH-UHFFFAOYSA-N	-1	0	287.279	0.703	20	30		CCEDRM
C=C(C)C(=O)OCc1cn(CCOCCC(=O)[O-])nn1	ZINC001254090561	808180148	/nfs/dbraw/zinc/18/01/48/808180148.db2.gz	LYWVDHFKLUHDOT-UHFFFAOYSA-N	-1	0	283.284	0.389	20	30		CCEDRM
COC(=O)[C@H](CCC(=O)[O-])N[C@H]1CC[C@H](C#N)C1	ZINC001254639625	808268740	/nfs/dbraw/zinc/26/87/40/808268740.db2.gz	WRTNINJVYSWMAI-GUBZILKMSA-N	-1	0	254.286	0.675	20	30		CCEDRM
CC[C@]1(C)NC(=O)N([N-]C(=O)c2ccc(C#N)cn2)C1=O	ZINC001255937690	808440137	/nfs/dbraw/zinc/44/01/37/808440137.db2.gz	KTCNXNBYRFBKHF-ZDUSSCGKSA-N	-1	0	287.279	0.319	20	30		CCEDRM
COC(=O)CS(=O)(=O)[N-]c1ccc(C(C)=O)cc1C#N	ZINC001259026110	808723886	/nfs/dbraw/zinc/72/38/86/808723886.db2.gz	IMYRKRYBZMDAKW-UHFFFAOYSA-N	-1	0	296.304	0.676	20	30		CCEDRM
CCn1cc(S(=O)(=O)[N-]c2ncc(C#N)nc2C)cn1	ZINC001259832751	808782437	/nfs/dbraw/zinc/78/24/37/808782437.db2.gz	WEMWUMPUHZGKLJ-UHFFFAOYSA-N	-1	0	292.324	0.674	20	30		CCEDRM
C=CCS(=O)(=O)[N-]c1ncnc2c1ncn2C[C@@H](C)O	ZINC001259923019	808805487	/nfs/dbraw/zinc/80/54/87/808805487.db2.gz	NQGSTBGYNHDNTD-MRVPVSSYSA-N	-1	0	297.340	0.135	20	30		CCEDRM
Cn1ccc(S(=O)(=O)[N-]c2c(C#N)cccc2C#N)n1	ZINC001259943450	808815192	/nfs/dbraw/zinc/81/51/92/808815192.db2.gz	UCPDXNWLVWEMIZ-UHFFFAOYSA-N	-1	0	287.304	0.964	20	30		CCEDRM
C=CCOC[C@@H](NCc1cnn(CC)n1)C(=O)[O-]	ZINC001262157825	809210601	/nfs/dbraw/zinc/21/06/01/809210601.db2.gz	PCBAAOXVSDSQOD-SNVBAGLBSA-N	-1	0	254.290	0.043	20	30		CCEDRM
Cn1c(=O)[n-]c(N2CCC[C@](C)(F)C2)c(C#N)c1=O	ZINC001262697807	809399134	/nfs/dbraw/zinc/39/91/34/809399134.db2.gz	ZOZWUWHQZGKVFH-LBPRGKRZSA-N	-1	0	266.276	0.274	20	30		CCEDRM
CN(CC1=CCSC1)c1[n-]c(=O)n(C)c(=O)c1C#N	ZINC001262702762	809401388	/nfs/dbraw/zinc/40/13/88/809401388.db2.gz	HQYIAZPVLZVXMG-UHFFFAOYSA-N	-1	0	278.337	0.055	20	30		CCEDRM
C=CCn1c(Cc2nn[nH]n2)nnc1N(CC)C(C)C	ZINC001262953489	809424979	/nfs/dbraw/zinc/42/49/79/809424979.db2.gz	SXHWGGCCHPFHTG-UHFFFAOYSA-N	-1	0	276.348	0.803	20	30		CCEDRM
COc1ncc(C([O-])=C(C#N)c2ccncn2)cn1	ZINC001263379964	809515375	/nfs/dbraw/zinc/51/53/75/809515375.db2.gz	BZCWUHOGPGETAK-SECBINFHSA-N	-1	0	255.237	0.765	20	30		CCEDRM
C#CCN1CCN(C(=O)c2cc(C(=O)[O-])co2)CC1	ZINC000383807196	809571391	/nfs/dbraw/zinc/57/13/91/809571391.db2.gz	JQMWCMBJTBSSJD-UHFFFAOYSA-N	-1	0	262.265	0.369	20	30		CCEDRM
N#CN=C(NC([O-])=C1CCCS1(=O)=O)c1ccncc1	ZINC001143480642	811512375	/nfs/dbraw/zinc/51/23/75/811512375.db2.gz	KMRQGFCMZUFRHD-JTQLQIEISA-N	-1	0	292.320	0.003	20	30		CCEDRM
C=CCCC(=O)N[C@@H]1CCN(Cc2n[nH]c(=O)[n-]2)C1	ZINC001267737818	811713614	/nfs/dbraw/zinc/71/36/14/811713614.db2.gz	DNFYEUMCUJUETP-SECBINFHSA-N	-1	0	265.317	0.167	20	30		CCEDRM
C=CCOC[C@@H](CS(=O)(=O)[O-])OCc1cc(C)no1	ZINC001222442913	811910392	/nfs/dbraw/zinc/91/03/92/811910392.db2.gz	HEKWXVLZGNFMNH-NSHDSACASA-N	-1	0	291.325	0.959	20	30		CCEDRM
Cc1cnc(N[C@@H]2C(=O)N(S(=O)(=O)[O-])[C@H]2C)cc1C#N	ZINC001167857364	812316768	/nfs/dbraw/zinc/31/67/68/812316768.db2.gz	BGUNDGWACYPRJE-XVKPBYJWSA-N	-1	0	296.308	0.076	20	30		CCEDRM
Cn1cc(S(=O)(=O)[N-]c2ccc(C#N)nc2)cn1	ZINC000709797064	812470871	/nfs/dbraw/zinc/47/08/71/812470871.db2.gz	YDEPXAWPBPBICJ-UHFFFAOYSA-N	-1	0	263.282	0.488	20	30		CCEDRM
N#Cc1ccnc(NC(=N)SCCS(=O)(=O)[O-])n1	ZINC001168086778	814602834	/nfs/dbraw/zinc/60/28/34/814602834.db2.gz	AXCWUYYGCGPQAT-UHFFFAOYSA-N	-1	0	287.326	0.316	20	30		CCEDRM
C=CCCOCCNC(=O)NC1CC(C(=O)[O-])C1	ZINC000703476150	819271253	/nfs/dbraw/zinc/27/12/53/819271253.db2.gz	CHCVXKUHOXRPIP-UHFFFAOYSA-N	-1	0	256.302	0.742	20	30		CCEDRM
Cc1[nH]nc(C(=O)N2CC[C@@H](NCC#N)[C@H](C)C2)c1[O-]	ZINC001035996674	819668280	/nfs/dbraw/zinc/66/82/80/819668280.db2.gz	ZWZRGYOKOCWYEG-PSASIEDQSA-N	-1	0	277.328	0.388	20	30		CCEDRM
C=CCCS(=O)(=O)N[C@H](Cc1cncs1)C(=O)[O-]	ZINC000710578874	819856406	/nfs/dbraw/zinc/85/64/06/819856406.db2.gz	DGHQMPZBGJGKFD-SECBINFHSA-N	-1	0	290.366	0.634	20	30		CCEDRM
C=CCCS(=O)(=O)N1CCC[C@@](OC)(C(=O)[O-])C1	ZINC000710623446	819858579	/nfs/dbraw/zinc/85/85/79/819858579.db2.gz	XSEHPXNYWCKXHN-NSHDSACASA-N	-1	0	277.342	0.458	20	30		CCEDRM
C=CCOC[C@H](CS(=O)(=O)[O-])OC[C@H]1CCCO1	ZINC001205991203	822327842	/nfs/dbraw/zinc/32/78/42/822327842.db2.gz	BXXCSHUYACGWNF-GHMZBOCLSA-N	-1	0	280.342	0.641	20	30		CCEDRM
N#CC1(CS(=O)(=O)[N-]C(=O)CC[C@@H]2CCCO2)CC1	ZINC000793204716	837407332	/nfs/dbraw/zinc/40/73/32/837407332.db2.gz	KPVSQFLHDZKMPW-JTQLQIEISA-N	-1	0	286.353	0.695	20	30		CCEDRM
COC(=O)n1ncc(C#N)c1[N-]c1nnc(Cl)nn1	ZINC001169962093	836489524	/nfs/dbraw/zinc/48/95/24/836489524.db2.gz	IMDBAUYNGGKXCZ-UHFFFAOYSA-N	-1	0	280.635	0.346	20	30		CCEDRM
CS(=O)(=O)CCNC(=O)CCC(=O)C1=CC=C[CH]1	ZINC001184240038	844186267	/nfs/dbraw/zinc/18/62/67/844186267.db2.gz	ANDKNYJVWQCMLU-UHFFFAOYSA-N	-1	0	270.330	0.197	20	30		CCEDRM
C[C@@]1(CO)CN(C(=O)CCC(=O)C2=CC=C[CH]2)CC[C@H]1O	ZINC001184244009	844187385	/nfs/dbraw/zinc/18/73/85/844187385.db2.gz	GDIBXTHBFKFASV-ZBFHGGJFSA-N	-1	0	292.355	0.628	20	30		CCEDRM
O=C(CCC(=O)N1C[C@@H]2C[C@H]1C(=O)O2)C1=CC=C[CH]1	ZINC001184244798	844187568	/nfs/dbraw/zinc/18/75/68/844187568.db2.gz	YLPIGMKPQLITQX-QWRGUYRKSA-N	-1	0	260.269	0.562	20	30		CCEDRM
CCOC(=O)c1ccc([N-][C@@H](C#N)C(N)=O)c([N+](=O)[O-])c1	ZINC001170538225	837992828	/nfs/dbraw/zinc/99/28/28/837992828.db2.gz	ZGGABGRCTJTLLL-VIFPVBQESA-N	-1	0	292.251	0.561	20	30		CCEDRM
CN(C(=O)c1c(F)cc(C#N)cc1F)c1nnn[n-]1	ZINC001131170363	838011326	/nfs/dbraw/zinc/01/13/26/838011326.db2.gz	YPDWOPAUXVTBKL-UHFFFAOYSA-N	-1	0	264.195	0.626	20	30		CCEDRM
COc1ccc(S(=O)(=O)N2CC(C#N)C2)cc1C(=O)[O-]	ZINC001185260498	844383931	/nfs/dbraw/zinc/38/39/31/844383931.db2.gz	IDDHBGASNPNDBZ-UHFFFAOYSA-N	-1	0	296.304	0.537	20	30		CCEDRM
Cn1c(=O)[n-]c(Oc2ccc3nccnc3c2)c(C#N)c1=O	ZINC001186015034	844482040	/nfs/dbraw/zinc/48/20/40/844482040.db2.gz	ZDAALZMWGJYMPS-UHFFFAOYSA-N	-1	0	295.258	0.681	20	30		CCEDRM
O=C(C=CC(=O)c1ccccc1)N[C@H]1SC(=O)[N-]C1=O	ZINC001144710715	840122348	/nfs/dbraw/zinc/12/23/48/840122348.db2.gz	SVFBXNRLEUZROV-SYTKJHMZSA-N	-1	0	290.300	0.851	20	30		CCEDRM
C[C@@H](C#N)NS(=O)(=O)c1ccc(F)c(C(=O)[O-])c1	ZINC001186210114	844525932	/nfs/dbraw/zinc/52/59/32/844525932.db2.gz	ZHWSHHALSPGQIF-LURJTMIESA-N	-1	0	272.257	0.714	20	30		CCEDRM
N#Cc1c(N)nn(C(=O)c2ccc([O-])c(F)c2)c1N	ZINC001186208470	844526158	/nfs/dbraw/zinc/52/61/58/844526158.db2.gz	DYOYWDZDEQBBIM-UHFFFAOYSA-N	-1	0	261.216	0.452	20	30		CCEDRM
COC(=O)n1ncc(C#N)c1[N-]C(=O)c1csnn1	ZINC001146828457	840378767	/nfs/dbraw/zinc/37/87/67/840378767.db2.gz	YEWZUAZEDZPCLQ-UHFFFAOYSA-N	-1	0	278.253	0.473	20	30		CCEDRM
CN(CC#N)C(=O)c1cc(S(=O)(=O)[O-])ccc1O	ZINC001148920163	840911993	/nfs/dbraw/zinc/91/19/93/840911993.db2.gz	XUPSWOZRCVBUCJ-UHFFFAOYSA-N	-1	0	270.266	0.234	20	30		CCEDRM
Cn1ccc(C(=O)NCc2ccc(C#N)nc2)c1CC(=O)[O-]	ZINC001177371430	842553101	/nfs/dbraw/zinc/55/31/01/842553101.db2.gz	RPHWEFXTDJKSMH-UHFFFAOYSA-N	-1	0	298.302	0.849	20	30		CCEDRM
C=CC[C@@H](NC(=O)CN1CCCCCC1=O)C(=O)[O-]	ZINC000150152414	842996463	/nfs/dbraw/zinc/99/64/63/842996463.db2.gz	PZHQQUDOEBRAEV-SNVBAGLBSA-N	-1	0	268.313	0.535	20	30		CCEDRM
C#CC1(O)CN(C(=O)c2ccc(Cl)c([O-])c2)C1	ZINC001179982789	843091258	/nfs/dbraw/zinc/09/12/58/843091258.db2.gz	SXUHBZOUWXHSQY-UHFFFAOYSA-N	-1	0	251.669	0.866	20	30		CCEDRM
C=CCSCC(=O)NC(=N)SCCS(=O)(=O)[O-]	ZINC001180560854	843209395	/nfs/dbraw/zinc/20/93/95/843209395.db2.gz	HUIYFCMCNIKDJU-UHFFFAOYSA-N	-1	0	298.411	0.578	20	30		CCEDRM
COC(=O)CCS(=O)(=O)[N-]c1ccsc1C#N	ZINC001188352553	844880440	/nfs/dbraw/zinc/88/04/40/844880440.db2.gz	DUNKHLYEPGMSBX-UHFFFAOYSA-N	-1	0	274.323	0.925	20	30		CCEDRM
N#CCc1cccc(C(=O)N[C@H]2SC(=O)[N-]C2=O)c1	ZINC001188682379	844947181	/nfs/dbraw/zinc/94/71/81/844947181.db2.gz	MXJVXTGNYOZFHS-NSHDSACASA-N	-1	0	275.289	0.792	20	30		CCEDRM
N#Cc1c[n-]c(=O)n(Cc2cc(-c3ccco3)on2)c1=O	ZINC001189574901	845173769	/nfs/dbraw/zinc/17/37/69/845173769.db2.gz	PMKSVODJSSZRBH-UHFFFAOYSA-N	-1	0	284.231	0.705	20	30		CCEDRM
N#CC1(NS(=O)(=O)c2ncc[n-]2)Cc2ccccc2C1	ZINC001190762550	845476089	/nfs/dbraw/zinc/47/60/89/845476089.db2.gz	LVHDENUHIOOUCD-UHFFFAOYSA-N	-1	0	288.332	0.749	20	30		CCEDRM
C#CCNC(=O)c1cc(S(N)(=O)=O)c(Cl)cc1[O-]	ZINC001191036317	845569380	/nfs/dbraw/zinc/56/93/80/845569380.db2.gz	PWUYOYWOHDFCNP-UHFFFAOYSA-N	-1	0	288.712	0.056	20	30		CCEDRM
N#Cc1cc(F)c(C(=O)N[C@H]2SC(=O)[N-]C2=O)c(F)c1	ZINC001191935976	845757121	/nfs/dbraw/zinc/75/71/21/845757121.db2.gz	KDXHGLOAPQIUKS-JTQLQIEISA-N	-1	0	297.242	0.875	20	30		CCEDRM
Cc1ncc(C(=O)NCCCc2c[nH][nH]c2=O)cc1C#N	ZINC001192296909	845818980	/nfs/dbraw/zinc/81/89/80/845818980.db2.gz	OHXKOAADPFZNSP-JTQLQIEISA-N	-1	0	285.307	0.504	20	30		CCEDRM
CCOC(=O)[C@H](C#N)NC(=O)c1c(F)ccc(F)c1[O-]	ZINC001192718927	845901573	/nfs/dbraw/zinc/90/15/73/845901573.db2.gz	FOEXHRDPTDLDCB-QMMMGPOBSA-N	-1	0	284.218	0.855	20	30		CCEDRM
COc1nc(Cl)cc([N-]S(=O)(=O)CC#N)n1	ZINC001192934622	845940549	/nfs/dbraw/zinc/94/05/49/845940549.db2.gz	AHKXLCDIPRDFLN-UHFFFAOYSA-N	-1	0	262.678	0.404	20	30		CCEDRM
N#CCS(=O)(=O)[N-]c1c(F)cccc1C(N)=O	ZINC001192985577	845945424	/nfs/dbraw/zinc/94/54/24/845945424.db2.gz	HOOOGYPACNJSLD-UHFFFAOYSA-N	-1	0	257.246	0.190	20	30		CCEDRM
C[C@@H](C#N)S(=O)(=O)[N-]c1cc(Cl)cnc1C(N)=O	ZINC001193105146	845979445	/nfs/dbraw/zinc/97/94/45/845979445.db2.gz	REMDZXIFDWYTNJ-YFKPBYRVSA-N	-1	0	288.716	0.488	20	30		CCEDRM
C[C@H](C#N)S(=O)(=O)[N-]c1cc2n(n1)CC(F)(F)CO2	ZINC001193111266	845981001	/nfs/dbraw/zinc/98/10/01/845981001.db2.gz	FABBBQJBWCXYNX-ZCFIWIBFSA-N	-1	0	292.267	0.565	20	30		CCEDRM
C[C@H](C#N)S(=O)(=O)[N-]c1cnn2c1OCCC2	ZINC001193112279	845981233	/nfs/dbraw/zinc/98/12/33/845981233.db2.gz	QATHILDRTWUCSY-SSDOTTSWSA-N	-1	0	256.287	0.319	20	30		CCEDRM
C[C@@H](C#N)S(=O)(=O)[N-]c1cnc2c(c1)COCC2	ZINC001193095203	845992942	/nfs/dbraw/zinc/99/29/42/845992942.db2.gz	RSWHOPXUSQKYSX-QMMMGPOBSA-N	-1	0	267.310	0.808	20	30		CCEDRM
C[C@H](C#N)S(=O)(=O)[N-]c1cccc(S(C)(=O)=O)c1	ZINC001193139351	846003142	/nfs/dbraw/zinc/00/31/42/846003142.db2.gz	CNXRRRLENHWVGL-MRVPVSSYSA-N	-1	0	288.350	0.744	20	30		CCEDRM
COC(=O)c1cccc(O)c1[N-]S(=O)(=O)[C@@H](C)C#N	ZINC001193151800	846006661	/nfs/dbraw/zinc/00/66/61/846006661.db2.gz	UFMQOQJLHLUISD-ZETCQYMHSA-N	-1	0	284.293	0.833	20	30		CCEDRM
C[C@H](C#N)S(=O)(=O)[N-]c1cccc2c1CNC(=O)N2C	ZINC001193157666	846007669	/nfs/dbraw/zinc/00/76/69/846007669.db2.gz	HKZAEDCFOGIVMQ-MRVPVSSYSA-N	-1	0	294.336	1.000	20	30		CCEDRM
C[C@@H](C#N)S(=O)(=O)[N-]c1ccc(C(N)=O)cc1O	ZINC001193160461	846009989	/nfs/dbraw/zinc/00/99/89/846009989.db2.gz	CYOUKMOZVNSXOJ-LURJTMIESA-N	-1	0	269.282	0.145	20	30		CCEDRM
N#Cc1cccc([N-]S(=O)(=O)C[C@H]2CCCO2)n1	ZINC001193205429	846017920	/nfs/dbraw/zinc/01/79/20/846017920.db2.gz	HMPFPBFNMUHGOA-SNVBAGLBSA-N	-1	0	267.310	0.874	20	30		CCEDRM
N#Cc1cc(C(=O)Nc2nccnc2C(N)=O)ccc1[O-]	ZINC001193497856	846094035	/nfs/dbraw/zinc/09/40/35/846094035.db2.gz	DFUZJUQPGSZNRS-UHFFFAOYSA-N	-1	0	283.247	0.405	20	30		CCEDRM
N#Cc1cc(C(=O)N2CCN3C(=O)CC[C@@H]3C2)ccc1[O-]	ZINC001193503534	846099490	/nfs/dbraw/zinc/09/94/90/846099490.db2.gz	AMMHBYPMAVEDOE-GFCCVEGCSA-N	-1	0	285.303	0.711	20	30		CCEDRM
C[C@@H]1COCCN1CCNC(=O)c1ccc([O-])c(C#N)c1	ZINC001193515339	846102467	/nfs/dbraw/zinc/10/24/67/846102467.db2.gz	MRSPMJBATBEAMQ-LLVKDONJSA-N	-1	0	289.335	0.714	20	30		CCEDRM
Cn1cnc(CCNC(=O)c2ccc([O-])c(C#N)c2)c1	ZINC001193512836	846102966	/nfs/dbraw/zinc/10/29/66/846102966.db2.gz	UDMXDYUUNKBZIL-UHFFFAOYSA-N	-1	0	270.292	0.970	20	30		CCEDRM
N#Cc1cc(C(=O)NCCN2CC3(COC3)C2)ccc1[O-]	ZINC001193514635	846103596	/nfs/dbraw/zinc/10/35/96/846103596.db2.gz	FYCJZOIJKZYCMX-UHFFFAOYSA-N	-1	0	287.319	0.326	20	30		CCEDRM
C#Cc1cccnc1[N-]S(=O)(=O)c1nccn1C	ZINC001193554690	846117063	/nfs/dbraw/zinc/11/70/63/846117063.db2.gz	CDQYVQGTUKDGEG-UHFFFAOYSA-N	-1	0	262.294	0.597	20	30		CCEDRM
Cc1cc(O)cc([O-])c1C(=O)n1nc(N)c(C#N)c1N	ZINC001193922228	846185505	/nfs/dbraw/zinc/18/55/05/846185505.db2.gz	GGMSOMSAIXGTHG-UHFFFAOYSA-N	-1	0	273.252	0.327	20	30		CCEDRM
N#Cc1ccc(C(=O)Nc2cnc(N)cn2)c([O-])c1	ZINC001195733626	846604922	/nfs/dbraw/zinc/60/49/22/846604922.db2.gz	UPLZENUIOGHIHS-UHFFFAOYSA-N	-1	0	255.237	0.888	20	30		CCEDRM
C[C@H]1CN(C)C(=O)CN1C(=O)c1ccc(C#N)cc1[O-]	ZINC001195750287	846620910	/nfs/dbraw/zinc/62/09/10/846620910.db2.gz	IARWJYUYLGYRKQ-VIFPVBQESA-N	-1	0	273.292	0.567	20	30		CCEDRM
CCOC(=O)CS(=O)(=O)[N-]c1cccc(C#N)n1	ZINC001195938985	846644207	/nfs/dbraw/zinc/64/42/07/846644207.db2.gz	JQJCSZVUWHJYDA-UHFFFAOYSA-N	-1	0	269.282	0.258	20	30		CCEDRM
C=CC[C@H](NC(=O)NCc1c(C)nn(C)c1C)C(=O)[O-]	ZINC000159916235	846751031	/nfs/dbraw/zinc/75/10/31/846751031.db2.gz	MJLOZHKVGAXXFQ-NSHDSACASA-N	-1	0	280.328	0.865	20	30		CCEDRM
CN(CC#N)C(=O)c1sccc1[N-]S(C)(=O)=O	ZINC001196728919	846797105	/nfs/dbraw/zinc/79/71/05/846797105.db2.gz	QTGLTHOBPPJQLG-UHFFFAOYSA-N	-1	0	273.339	0.715	20	30		CCEDRM
Cn1ncc([N-]S(=O)(=O)c2ccc(C#N)cc2)n1	ZINC001258039509	849107519	/nfs/dbraw/zinc/10/75/19/849107519.db2.gz	TXPHIOULYZZSRQ-UHFFFAOYSA-N	-1	0	263.282	0.488	20	30		CCEDRM
C#CC[C@H](NC(=O)CN(C)c1ccc(Cl)cn1)C(=O)[O-]	ZINC000149552986	853986900	/nfs/dbraw/zinc/98/69/00/853986900.db2.gz	OIMWZJCNPLUHMC-JTQLQIEISA-N	-1	0	295.726	0.764	20	30		CCEDRM
C=CCCCC(=O)N1C[C@@H](C)[C@H](NC(=O)c2cn[nH]n2)C1	ZINC001072632196	854433602	/nfs/dbraw/zinc/43/36/02/854433602.db2.gz	JMFUJKKGNBGRHT-ZYHUDNBSSA-N	-1	0	291.355	0.738	20	30		CCEDRM
CSc1[n-]c(=O)c(C(=O)N2CC(O)C2)cc1C#N	ZINC001116393762	855759176	/nfs/dbraw/zinc/75/91/76/855759176.db2.gz	VEUISVXTOJVWPN-UHFFFAOYSA-N	-1	0	265.294	0.197	20	30		CCEDRM
CC#CCS(=O)(=O)[N-]C(=O)c1cnc(C)nc1C1CC1	ZINC001117679362	856045212	/nfs/dbraw/zinc/04/52/12/856045212.db2.gz	XFYKFKUSEYRVME-UHFFFAOYSA-N	-1	0	293.348	0.745	20	30		CCEDRM
C=C[C@H](C)O[N-]C(=O)C(=O)Nc1cc(C2CC2)nn1C	ZINC001118246982	856223067	/nfs/dbraw/zinc/22/30/67/856223067.db2.gz	WMGXXWKBYBOJAM-QMMMGPOBSA-N	-1	0	278.312	0.858	20	30		CCEDRM
Cc1nnc(N=NC2CCC[S@](=O)CC2)[n-]c1=O	ZINC001118524445	856328359	/nfs/dbraw/zinc/32/83/59/856328359.db2.gz	MSOZDLKRGLUZNU-SFHVURJKSA-N	-1	0	269.330	0.586	20	30		CCEDRM
C=CC[C@H](NC(=O)[C@@]12C[C@@H]1COC2(C)C)C(=O)[O-]	ZINC001118544300	856334520	/nfs/dbraw/zinc/33/45/20/856334520.db2.gz	FQZLWTTVMNNFIF-VYUIOLGVSA-N	-1	0	253.298	0.947	20	30		CCEDRM
C#CCSCC(=O)[N-]S(=O)(=O)C[C@@H]1CCCCO1	ZINC001119480431	856700158	/nfs/dbraw/zinc/70/01/58/856700158.db2.gz	SQVUJFBRBGLCGQ-JTQLQIEISA-N	-1	0	291.394	0.368	20	30		CCEDRM
C=CC[C@H](NC(=O)c1cc(C)[nH]c(=O)c1)C(=O)[O-]	ZINC001119580521	856753257	/nfs/dbraw/zinc/75/32/57/856753257.db2.gz	NMZZSCHYYNAIEF-VIFPVBQESA-N	-1	0	250.254	0.855	20	30		CCEDRM
C=CC[C@@H](NC(=O)C(C)(C)N1CCOCC1)C(=O)[O-]	ZINC001119643335	856803296	/nfs/dbraw/zinc/80/32/96/856803296.db2.gz	CJOBFLQESLOUNJ-SNVBAGLBSA-N	-1	0	270.329	0.243	20	30		CCEDRM
C=CC[C@H](NC(=O)[C@@H](C)Oc1ccccn1)C(=O)[O-]	ZINC001119643962	856803933	/nfs/dbraw/zinc/80/39/33/856803933.db2.gz	HBEXHSLMJHPCNI-ZJUUUORDSA-N	-1	0	264.281	0.994	20	30		CCEDRM
C#Cc1ccccc1CC(=O)NCc1nc(=O)o[n-]1	ZINC001324611096	912936522	/nfs/dbraw/zinc/93/65/22/912936522.db2.gz	LDMRKANSVXIYFM-UHFFFAOYSA-N	-1	0	257.249	0.203	20	30		CCEDRM
Cn1c(C#N)ccc1C(=O)[N-]S(=O)(=O)C(F)F	ZINC001324611504	912936621	/nfs/dbraw/zinc/93/66/21/912936621.db2.gz	ZKARZGJIUMVHPE-UHFFFAOYSA-N	-1	0	263.225	0.179	20	30		CCEDRM
N#CC1CCN(C(=O)CSc2n[nH]c(=O)[n-]2)CC1	ZINC001325835171	913603930	/nfs/dbraw/zinc/60/39/30/913603930.db2.gz	BQVKSOSXUKNJQE-UHFFFAOYSA-N	-1	0	267.314	0.365	20	30		CCEDRM
Cc1nnc([S-])n(N=Cc2cncn2C(C)C)c1=O	ZINC001325904139	913633909	/nfs/dbraw/zinc/63/39/09/913633909.db2.gz	QZEZVZIQLQAQGT-UHFFFAOYSA-N	-1	0	278.341	0.895	20	30		CCEDRM
C#CCCCC(=O)N[C@H]1CCN(Cc2n[nH]c(=O)[n-]2)C1	ZINC001481687688	893009431	/nfs/dbraw/zinc/00/94/31/893009431.db2.gz	SJIWBDUASCPFHG-JTQLQIEISA-N	-1	0	277.328	0.004	20	30		CCEDRM
C[C@H]1CC[C@H](C)N(c2[n-]c(=O)n(C)c(=O)c2C#N)C1	ZINC001515539730	896071674	/nfs/dbraw/zinc/07/16/74/896071674.db2.gz	ZCGDJEATZBIQNA-IUCAKERBSA-N	-1	0	262.313	0.570	20	30		CCEDRM
C[C@@H]1CC[C@@H](C)N(c2[n-]c(=O)n(C)c(=O)c2C#N)C1	ZINC001515539733	896072944	/nfs/dbraw/zinc/07/29/44/896072944.db2.gz	ZCGDJEATZBIQNA-RKDXNWHRSA-N	-1	0	262.313	0.570	20	30		CCEDRM
C=C[C@H](COC)[N-]S(=O)(=O)c1ncccc1[N+](=O)[O-]	ZINC001327035029	914325570	/nfs/dbraw/zinc/32/55/70/914325570.db2.gz	GRVWAQPKHYXPOC-MRVPVSSYSA-N	-1	0	287.297	0.469	20	30		CCEDRM
Cn1cnc(S(=O)(=O)[N-]C(=O)CCCCC#N)c1	ZINC001327095493	914366981	/nfs/dbraw/zinc/36/69/81/914366981.db2.gz	BFXPAGYKAHSWJI-UHFFFAOYSA-N	-1	0	270.314	0.309	20	30		CCEDRM
CC[C@@H](C)[C@H](C)NC(=O)Cn1cc(C#N)c(=O)[n-]c1=O	ZINC001411798829	901261591	/nfs/dbraw/zinc/26/15/91/901261591.db2.gz	IPXUTBUHILJUBS-BDAKNGLRSA-N	-1	0	278.312	0.371	20	30		CCEDRM
N#Cc1ccc(C(=O)N2CCC[C@H](c3nnn[n-]3)C2)nc1	ZINC001411937920	901342234	/nfs/dbraw/zinc/34/22/34/901342234.db2.gz	NNJJDXWDJSHYHJ-JTQLQIEISA-N	-1	0	283.295	0.486	20	30		CCEDRM
Cc1cc(C#N)c(=O)[n-]c1C(=O)N1CC[C@]12CCOC2	ZINC001412247278	901594620	/nfs/dbraw/zinc/59/46/20/901594620.db2.gz	HYVFMGHPWKWYKG-CQSZACIVSA-N	-1	0	273.292	0.972	20	30		CCEDRM
N#Cc1ccc(NCC(=O)NC2(c3nnn[n-]3)CCC2)nc1	ZINC001412535180	901800069	/nfs/dbraw/zinc/80/00/69/901800069.db2.gz	BQDFYTSCMAGYBC-UHFFFAOYSA-N	-1	0	298.310	0.074	20	30		CCEDRM
COC[C@@H](NC(=O)c1ccc(C#N)cc1F)c1nnn[n-]1	ZINC001412603474	901861252	/nfs/dbraw/zinc/86/12/52/901861252.db2.gz	HNPCYIWCOQFDKY-SNVBAGLBSA-N	-1	0	290.258	0.328	20	30		CCEDRM
CNC(=O)[C@@H](C)CN(C)C(=O)c1[n-]c(=O)c(C#N)cc1C	ZINC001412648080	901903621	/nfs/dbraw/zinc/90/36/21/901903621.db2.gz	XTJDCOWWSQFREM-VIFPVBQESA-N	-1	0	290.323	0.421	20	30		CCEDRM
N#Cc1cn(CC(=O)N[C@@H]2C[C@H]3CCC[C@@H]32)c(=O)[n-]c1=O	ZINC001412780322	902114912	/nfs/dbraw/zinc/11/49/12/902114912.db2.gz	AAVKGRPKTOVAFN-DVVUODLYSA-N	-1	0	288.307	0.125	20	30		CCEDRM
N#Cc1c[n-]n2c1nc(CN1CCC[C@H](O)C1)cc2=O	ZINC001412976769	902425281	/nfs/dbraw/zinc/42/52/81/902425281.db2.gz	IWZRCPDXXMDPNZ-NSHDSACASA-N	-1	0	273.296	0.263	20	30		CCEDRM
N#CCSc1cccc(C(=O)Nn2c(=O)[n-][nH]c2=O)c1	ZINC001413022969	902494382	/nfs/dbraw/zinc/49/43/82/902494382.db2.gz	DKELBTOJMQZCMM-UHFFFAOYSA-N	-1	0	291.292	0.689	20	30		CCEDRM
N#Cc1cn(CC(=O)N[C@H]2CCC[C@@H](F)C2)c(=O)[n-]c1=O	ZINC001413176427	902759595	/nfs/dbraw/zinc/75/95/95/902759595.db2.gz	DNEDXENVICSCTQ-ZJUUUORDSA-N	-1	0	294.286	0.217	20	30		CCEDRM
C#CC[C@H](NC(=O)COCC(=O)[O-])c1ccccc1	ZINC001333331803	905944226	/nfs/dbraw/zinc/94/42/26/905944226.db2.gz	JELLYAXXLGEXSR-LBPRGKRZSA-N	-1	0	261.277	0.968	20	30		CCEDRM
COC[C@](C)(C#N)NC(=O)c1cccc([N+](=O)[O-])c1[O-]	ZINC001294684003	906616108	/nfs/dbraw/zinc/61/61/08/906616108.db2.gz	BKVAGNNYVWISRR-LBPRGKRZSA-N	-1	0	279.252	0.959	20	30		CCEDRM
CCO[N-]C(=O)CNC(=O)Nc1ccnc(C#N)c1	ZINC001311071723	908531076	/nfs/dbraw/zinc/53/10/76/908531076.db2.gz	BNAUTUPYSXGECH-UHFFFAOYSA-N	-1	0	263.257	0.142	20	30		CCEDRM
Cc1n[nH]c(C(=O)NC2(CNCC#N)CCCC2)c1[O-]	ZINC001318628000	909843459	/nfs/dbraw/zinc/84/34/59/909843459.db2.gz	VKYZIQUTKXGSCD-UHFFFAOYSA-N	-1	0	277.328	0.580	20	30		CCEDRM
C=CC[C@@H](NC(=O)[C@H](C)NC(=O)C1CCCC1)C(=O)[O-]	ZINC001321166404	911130059	/nfs/dbraw/zinc/13/00/59/911130059.db2.gz	DNBBVPYTINMRQG-GXSJLCMTSA-N	-1	0	282.340	0.827	20	30		CCEDRM
C=C(C)CO[N-]C(=O)[C@@H]1CC(c2cnn(C)c2)=NO1	ZINC001339060593	921640911	/nfs/dbraw/zinc/64/09/11/921640911.db2.gz	OEAUMWOJBFRFQG-NSHDSACASA-N	-1	0	264.285	0.537	20	30		CCEDRM
CSc1[n-]c(=O)c(C(=O)NCCCCO)cc1C#N	ZINC001339411775	921718639	/nfs/dbraw/zinc/71/86/39/921718639.db2.gz	WAWYKVGVAXHBLW-UHFFFAOYSA-N	-1	0	281.337	0.883	20	30		CCEDRM
C=CC[C@@H](NC(=O)[C@@H]1COCCN1C1CCCC1)C(=O)[O-]	ZINC001329213968	915748700	/nfs/dbraw/zinc/74/87/00/915748700.db2.gz	CGMLSXRWYPUADW-OLZOCXBDSA-N	-1	0	296.367	0.775	20	30		CCEDRM
C=CC[C@H](NC(=O)c1cn(C2CC2)nn1)C(=O)[O-]	ZINC001329655666	916102070	/nfs/dbraw/zinc/10/20/70/916102070.db2.gz	GGMCWJHFLOTOTG-QMMMGPOBSA-N	-1	0	250.258	0.372	20	30		CCEDRM
CC(C)(C#N)CNC(=O)c1c[n-]n2c1nccc2=O	ZINC001331005685	917016818	/nfs/dbraw/zinc/01/68/18/917016818.db2.gz	QXBZAVZEPZLMBQ-UHFFFAOYSA-N	-1	0	259.269	0.302	20	30		CCEDRM
C=CC[C@H](NC(=O)C[C@@H]1CCOC[C@H]1OCC)C(=O)[O-]	ZINC001331818382	917635414	/nfs/dbraw/zinc/63/54/14/917635414.db2.gz	JBBBPTCPWFRLRA-SDDRHHMPSA-N	-1	0	285.340	0.964	20	30		CCEDRM
Cc1ccc(C(=O)Nc2nc(C#N)c(C#N)[n-]2)c(=O)[nH]1	ZINC001332227673	917970147	/nfs/dbraw/zinc/97/01/47/917970147.db2.gz	ULGKLCIAUXOCNN-UHFFFAOYSA-N	-1	0	268.236	0.814	20	30		CCEDRM
C=CC[C@@H](NC(=O)NCc1ccc(N(C)C)nc1)C(=O)[O-]	ZINC001332598599	918300379	/nfs/dbraw/zinc/30/03/79/918300379.db2.gz	VLVXCGCSNOCEDV-LLVKDONJSA-N	-1	0	292.339	0.976	20	30		CCEDRM
C=CCN(CC(=O)[O-])C(=O)[C@H]1CCCc2nn(C)cc21	ZINC001333331632	918809451	/nfs/dbraw/zinc/80/94/51/918809451.db2.gz	CRQUDOMVXCZFOO-JTQLQIEISA-N	-1	0	277.324	0.939	20	30		CCEDRM
C=CCN(C(=O)C(=O)NCCCCC(=O)[O-])C1CC1	ZINC001333331087	918809531	/nfs/dbraw/zinc/80/95/31/918809531.db2.gz	NLOXPRLPSUIGLQ-UHFFFAOYSA-N	-1	0	268.313	0.535	20	30		CCEDRM
C=CC[C@@H](NC(=O)NC[C@@H]1CCO[C@H]1C=C)C(=O)[O-]	ZINC001333333155	918811108	/nfs/dbraw/zinc/81/11/08/918811108.db2.gz	YOEWOTOQUFALMB-AXFHLTTASA-N	-1	0	268.313	0.906	20	30		CCEDRM
C#CCN1CCN(C(=O)c2cc(C(=O)[O-])ccn2)CC1	ZINC001333367256	918839760	/nfs/dbraw/zinc/83/97/60/918839760.db2.gz	WCTHQYUOGKZSSP-UHFFFAOYSA-N	-1	0	273.292	0.171	20	30		CCEDRM
CC1(C#N)CCN(C(=O)CCCc2nnn[n-]2)CC1	ZINC001333680316	919090940	/nfs/dbraw/zinc/09/09/40/919090940.db2.gz	SLXOQBASNKBVTH-UHFFFAOYSA-N	-1	0	262.317	0.675	20	30		CCEDRM
C#CC[C@@H](NC(=O)CN(C)Cc1ccccc1)C(=O)[O-]	ZINC001334201813	919422137	/nfs/dbraw/zinc/42/21/37/919422137.db2.gz	JSSZSDSJTLVKKV-CYBMUJFWSA-N	-1	0	274.320	0.711	20	30		CCEDRM
C=C(C)C[C@@H](NC(=O)[C@@H](C)N1CCN(C)CC1)C(=O)[O-]	ZINC001334204834	919426010	/nfs/dbraw/zinc/42/60/10/919426010.db2.gz	GHCXBVDKQINVES-VXGBXAGGSA-N	-1	0	283.372	0.158	20	30		CCEDRM
C=CC[C@@H](NC(=O)Cc1nc(CC)c[nH]1)C(=O)[O-]	ZINC001334980825	919879016	/nfs/dbraw/zinc/87/90/16/919879016.db2.gz	MBXPNMXREQBBKI-SECBINFHSA-N	-1	0	251.286	0.660	20	30		CCEDRM
CCn1[n-]nnc1=NC(=O)N[C@H]1CCc2cc(C#N)ccc21	ZINC001414445397	920324714	/nfs/dbraw/zinc/32/47/14/920324714.db2.gz	CHTOZLQEYYWASG-LBPRGKRZSA-N	-1	0	297.322	0.796	20	30		CCEDRM
Cn1c(=O)[n-]c(NCCC(C)(C)C)c(C#N)c1=O	ZINC001336459281	920786586	/nfs/dbraw/zinc/78/65/86/920786586.db2.gz	XUMSILMOYAHXLA-UHFFFAOYSA-N	-1	0	250.302	0.793	20	30		CCEDRM
C[C@H]1CSC[C@@H]1Nc1[n-]c(=O)n(C)c(=O)c1C#N	ZINC001336636623	920891913	/nfs/dbraw/zinc/89/19/13/920891913.db2.gz	IPMOCRLNGVXSDO-XPUUQOCRSA-N	-1	0	266.326	0.109	20	30		CCEDRM
N#Cc1nc(NC(=O)C[C@@H]2C=CS(=O)(=O)C2)[n-]c1C#N	ZINC001418234114	921950261	/nfs/dbraw/zinc/95/02/61/921950261.db2.gz	DDYNUYJKWJHZMW-ZETCQYMHSA-N	-1	0	291.292	0.040	20	30		CCEDRM
C=CCn1c(-c2cc(=O)[nH][n-]2)nnc1N(C)CC(=C)C	ZINC001340432340	922084339	/nfs/dbraw/zinc/08/43/39/922084339.db2.gz	XYNOEIAMNPOTGH-UHFFFAOYSA-N	-1	0	274.328	0.700	20	30		CCEDRM
C=C(C)CN(CC)c1nnc(-c2nn[nH]n2)n1CCOC	ZINC001341704528	922636524	/nfs/dbraw/zinc/63/65/24/922636524.db2.gz	ZRWDHFPIIXRZRK-UHFFFAOYSA-N	-1	0	292.347	0.507	20	30		CCEDRM
COCCNC(=O)C(C#N)=C([O-])c1oc(C)nc1C	ZINC001341915202	922720092	/nfs/dbraw/zinc/72/00/92/922720092.db2.gz	PVSOKGQELCLNGI-VIFPVBQESA-N	-1	0	265.269	0.377	20	30		CCEDRM
N#CC(C(=O)NC1CC1)=C([O-])c1noc2c1COCC2	ZINC001341954567	922736827	/nfs/dbraw/zinc/73/68/27/922736827.db2.gz	KMNCSMVFGGYOHQ-MRVPVSSYSA-N	-1	0	275.264	0.348	20	30		CCEDRM
N#Cc1cc(C(=O)N2CCC[C@H](Cc3nnn[n-]3)C2)c[nH]1	ZINC001419596864	922939767	/nfs/dbraw/zinc/93/97/67/922939767.db2.gz	QKEYXQFPAAQHRU-SECBINFHSA-N	-1	0	285.311	0.494	20	30		CCEDRM
COCCNC(=O)C(C#N)=C([O-])c1n[nH]c2c1CCCC2	ZINC001342604310	923019436	/nfs/dbraw/zinc/01/94/36/923019436.db2.gz	GAIFSIRXHCODNS-JTQLQIEISA-N	-1	0	290.323	0.374	20	30		CCEDRM
COCCNC(=O)C(C#N)=C([O-])c1cccc(C#N)c1C	ZINC001342597596	923020867	/nfs/dbraw/zinc/02/08/67/923020867.db2.gz	MQEWVUGYSYHJCU-ZDUSSCGKSA-N	-1	0	285.303	0.952	20	30		CCEDRM
Cn1cnc2c1nccc2C([O-])=C(C#N)C(=O)NC1CC1	ZINC001343384580	923293772	/nfs/dbraw/zinc/29/37/72/923293772.db2.gz	BYJKCBGRICGHCI-JTQLQIEISA-N	-1	0	283.291	0.569	20	30		CCEDRM
C=CC[C@@H](NC(=O)Cn1cc([N+](=O)[O-])nc1C)C(=O)[O-]	ZINC001344553800	923634286	/nfs/dbraw/zinc/63/42/86/923634286.db2.gz	UXWCMJLRGLCEBR-MRVPVSSYSA-N	-1	0	282.256	0.245	20	30		CCEDRM
C#Cc1cncc(C(=O)N2CC[C@H]([C@@H](F)C(=O)[O-])C2)c1	ZINC001345767780	923971743	/nfs/dbraw/zinc/97/17/43/923971743.db2.gz	DUUSBJLKMHYMOF-CMPLNLGQSA-N	-1	0	276.267	0.948	20	30		CCEDRM
C=C[C@H](C)O[N-]C(=O)c1ccc(=O)n(CCOC)n1	ZINC001346308584	924153565	/nfs/dbraw/zinc/15/35/65/924153565.db2.gz	ZFSCDNYEHRGEQF-VIFPVBQESA-N	-1	0	267.285	0.126	20	30		CCEDRM
C#C[C@H]1CCCN(c2nnc(-c3nn[nH]n3)n2CC2CC2)C1	ZINC001347789517	924536944	/nfs/dbraw/zinc/53/69/44/924536944.db2.gz	ZGMJBYWVQZKSGL-JTQLQIEISA-N	-1	0	298.354	0.718	20	30		CCEDRM
CC[C@@H]1[C@@H](C)CCN1c1[n-]c(=O)n(C)c(=O)c1C#N	ZINC001348096873	924595805	/nfs/dbraw/zinc/59/58/05/924595805.db2.gz	HWMSTVAUQZWOKE-WCBMZHEXSA-N	-1	0	262.313	0.570	20	30		CCEDRM
Cc1nnc([S-])n(N=Cc2cnc(C3CC3)o2)c1=O	ZINC001348412217	924681324	/nfs/dbraw/zinc/68/13/24/924681324.db2.gz	URUUJBGTJSZXOL-UHFFFAOYSA-N	-1	0	277.309	0.983	20	30		CCEDRM
Cn1c(=O)[n-]c(N[C@H](CCO)C2CCCC2)c(C#N)c1=O	ZINC001413917087	924938258	/nfs/dbraw/zinc/93/82/58/924938258.db2.gz	BWLKGLAGEGNNPZ-LLVKDONJSA-N	-1	0	292.339	0.298	20	30		CCEDRM
CC(C)[C@@H](C(=O)[O-])C(=O)N1CCN(CCC#N)CC1	ZINC001350624164	925244133	/nfs/dbraw/zinc/24/41/33/925244133.db2.gz	ZORJZRCYWGNTMD-LLVKDONJSA-N	-1	0	267.329	0.401	20	30		CCEDRM
C=CC[C@H](NC(=O)[C@@H]1COCCN1CC(F)F)C(=O)[O-]	ZINC001350770082	925274882	/nfs/dbraw/zinc/27/48/82/925274882.db2.gz	XMNXVVTXLSZLTG-IUCAKERBSA-N	-1	0	292.282	0.098	20	30		CCEDRM
N#CCCCCC(=O)N1CCC(c2nnn[n-]2)CC1	ZINC001350837613	925294780	/nfs/dbraw/zinc/29/47/80/925294780.db2.gz	IPSFKPISJKWBOR-UHFFFAOYSA-N	-1	0	262.317	0.990	20	30		CCEDRM
Cc1nnc([S-])n(N=Cc2cn(C3CC3)cn2)c1=O	ZINC001352106570	925524647	/nfs/dbraw/zinc/52/46/47/925524647.db2.gz	JOZXABKYMSSNAR-UHFFFAOYSA-N	-1	0	276.325	0.649	20	30		CCEDRM
CN1C(=O)CS/C1=C/C(=O)Nc1nc(C#N)c(C#N)[n-]1	ZINC001300045272	925594004	/nfs/dbraw/zinc/59/40/04/925594004.db2.gz	ZWYVJYRWURONBL-WTDSWWLTSA-N	-1	0	288.292	0.138	20	30		CCEDRM
C=C(C)C[C@@H](NC(=O)NCCc1cnn(C)c1)C(=O)[O-]	ZINC001353973155	925979096	/nfs/dbraw/zinc/97/90/96/925979096.db2.gz	SEZCQJPJKCCTHX-LLVKDONJSA-N	-1	0	280.328	0.681	20	30		CCEDRM
C=CC[C@H](NC(=O)NCc1cn(C)cn1)C(=O)[O-]	ZINC001355415115	926255369	/nfs/dbraw/zinc/25/53/69/926255369.db2.gz	AGNVYVLOXCRRPT-VIFPVBQESA-N	-1	0	252.274	0.249	20	30		CCEDRM
COCCCNC(=O)C(C#N)=C([O-])c1cc(Cl)n(C)n1	ZINC001356219952	926355302	/nfs/dbraw/zinc/35/53/02/926355302.db2.gz	AOGSTZKSZPWKCX-QMMMGPOBSA-N	-1	0	298.730	0.549	20	30		CCEDRM
C[C@H](Cc1ccco1)Nc1[n-]c(=O)n(C)c(=O)c1C#N	ZINC001413876525	926562479	/nfs/dbraw/zinc/56/24/79/926562479.db2.gz	FTMNVKLAZMKZSG-MRVPVSSYSA-N	-1	0	274.280	0.581	20	30		CCEDRM
C=C[C@H](C)O[N-]C(=O)[C@H]1CC(c2cnn(C)c2)=NO1	ZINC001358353056	926679400	/nfs/dbraw/zinc/67/94/00/926679400.db2.gz	HATILUOLSJBZIW-GZMMTYOYSA-N	-1	0	264.285	0.535	20	30		CCEDRM
Cc1c([C@H](C)Nc2[n-]c(=O)n(C)c(=O)c2C#N)cnn1C	ZINC001413881638	926758476	/nfs/dbraw/zinc/75/84/76/926758476.db2.gz	UOGABAWRZXOSGD-ZETCQYMHSA-N	-1	0	288.311	0.160	20	30		CCEDRM
C=CC[C@H](NC(=O)[C@H]1CC(=O)N(C2CCCC2)C1)C(=O)[O-]	ZINC000150018846	926944540	/nfs/dbraw/zinc/94/45/40/926944540.db2.gz	NRGOVGOKSQKBJJ-JQWIXIFHSA-N	-1	0	294.351	0.923	20	30		CCEDRM
C=CC[C@@H](NC(=O)c1ccc2c(c1)OCC(=O)N2)C(=O)[O-]	ZINC000150185566	926947360	/nfs/dbraw/zinc/94/73/60/926947360.db2.gz	UYNRHNXIUQXKOE-SNVBAGLBSA-N	-1	0	290.275	0.777	20	30		CCEDRM
C=CC[C@@H](NC(=O)c1ccc2c(c1)NC(=O)CO2)C(=O)[O-]	ZINC000150133129	926948055	/nfs/dbraw/zinc/94/80/55/926948055.db2.gz	KYMGDZYPXWRWQV-SECBINFHSA-N	-1	0	290.275	0.777	20	30		CCEDRM
C=CC[C@H](NC(=O)[C@H]1CS[C@]2(C)CCC(=O)N12)C(=O)[O-]	ZINC000150338326	926949563	/nfs/dbraw/zinc/94/95/63/926949563.db2.gz	MFPWCTJLIVJJED-IGJMFERPSA-N	-1	0	298.364	0.586	20	30		CCEDRM
Cc1cc(C#N)c(=O)[n-]c1C(=O)NC[C@H]1COCCO1	ZINC001361840465	927375018	/nfs/dbraw/zinc/37/50/18/927375018.db2.gz	UQHMHDXXJKOBRV-JTQLQIEISA-N	-1	0	277.280	0.113	20	30		CCEDRM
Cc1cc(C#N)c(=O)[n-]c1C(=O)N[C@H](C)Cn1cncn1	ZINC001361877086	927415481	/nfs/dbraw/zinc/41/54/81/927415481.db2.gz	PQWCGAZHTUVQEE-SECBINFHSA-N	-1	0	286.295	0.377	20	30		CCEDRM
COCC[C@@](C)(O)CNC(=O)c1[n-]c(=O)c(C#N)cc1C	ZINC001362013646	927520981	/nfs/dbraw/zinc/52/09/81/927520981.db2.gz	MTBVPDCOLNVBPW-CQSZACIVSA-N	-1	0	293.323	0.485	20	30		CCEDRM
Cc1ccc(C#N)cc1NC(=O)Cn1c(=O)[n-][nH]c1=O	ZINC001362052328	927559655	/nfs/dbraw/zinc/55/96/55/927559655.db2.gz	AUQKRICFKQDXMY-UHFFFAOYSA-N	-1	0	273.252	0.508	20	30		CCEDRM
CNC(=O)CCNC(=O)c1cc(C#N)c(SC)[n-]c1=O	ZINC001362215022	927739827	/nfs/dbraw/zinc/73/98/27/927739827.db2.gz	HWRIJUMEKIFMAB-UHFFFAOYSA-N	-1	0	294.336	0.247	20	30		CCEDRM
CC1(CCNC(=O)CCn2cc(C#N)c(=O)[n-]c2=O)CC1	ZINC001362495520	928096223	/nfs/dbraw/zinc/09/62/23/928096223.db2.gz	PYRIOZDJUHIASA-UHFFFAOYSA-N	-1	0	290.323	0.517	20	30		CCEDRM
CC(C)C(C)(C)CNC(=O)Cn1cc(C#N)c(=O)[n-]c1=O	ZINC001362525817	928132959	/nfs/dbraw/zinc/13/29/59/928132959.db2.gz	VITNODLEBXVQGK-UHFFFAOYSA-N	-1	0	292.339	0.619	20	30		CCEDRM
Cc1cc(C#N)c(=O)[n-]c1C(=O)N1CC[C@H](CO)[C@@H]1C	ZINC001362585748	928213451	/nfs/dbraw/zinc/21/34/51/928213451.db2.gz	UOWRKPRVIKLLSE-VHSXEESVSA-N	-1	0	275.308	0.810	20	30		CCEDRM
N#CC1(CNC(=O)c2cccc(-n3[n-]nnc3=N)c2)CCC1	ZINC001362772058	928468214	/nfs/dbraw/zinc/46/82/14/928468214.db2.gz	QADOWZVKPXIORT-UHFFFAOYSA-N	-1	0	297.322	0.499	20	30		CCEDRM
COc1ncc(NC(=O)C2=C([O-])C(C)N=N2)cc1C#N	ZINC001362876030	928599576	/nfs/dbraw/zinc/59/95/76/928599576.db2.gz	SXLMLXZCQBBCRL-UHFFFAOYSA-N	-1	0	273.252	0.951	20	30		CCEDRM
COC[C@@H]1C[C@@H](O)CN1C(=O)c1[n-]c(=O)c(C#N)cc1C	ZINC001363001042	928747990	/nfs/dbraw/zinc/74/79/90/928747990.db2.gz	QTNLVEZKWFOYGB-WDEREUQCSA-N	-1	0	291.307	0.189	20	30		CCEDRM
CCN1CC[C@H](NC(=O)c2[n-]c(=O)c(C#N)cc2C)C1=O	ZINC001363240101	929014200	/nfs/dbraw/zinc/01/42/00/929014200.db2.gz	NUZHJIAHXQTNCV-JTQLQIEISA-N	-1	0	288.307	0.318	20	30		CCEDRM
N#Cc1cccc2c1CCN2C(=O)Cn1c(=O)[n-][nH]c1=O	ZINC001363422522	929210834	/nfs/dbraw/zinc/21/08/34/929210834.db2.gz	WYIIWQPTBIPCJB-UHFFFAOYSA-N	-1	0	285.263	0.150	20	30		CCEDRM
CC(=O)N1CCCC[C@@H]1C(=O)Nc1nc(C#N)c(C#N)[n-]1	ZINC001363467351	929269455	/nfs/dbraw/zinc/26/94/55/929269455.db2.gz	UJQIFKNQAGYXSO-LLVKDONJSA-N	-1	0	286.295	0.493	20	30		CCEDRM
Cc1cc(C#N)c(=O)[n-]c1C(=O)N[C@@H](CO)C1CCC1	ZINC001363472799	929276337	/nfs/dbraw/zinc/27/63/37/929276337.db2.gz	CAYQWZOPUZSKDZ-NSHDSACASA-N	-1	0	275.308	0.858	20	30		CCEDRM
C[C@@H]1CCC[C@@](C#N)(NC(=O)Cn2c(=O)[n-][nH]c2=O)C1	ZINC001444614268	929915827	/nfs/dbraw/zinc/91/58/27/929915827.db2.gz	UQGGCDONJNLSKH-PRHODGIISA-N	-1	0	279.300	0.278	20	30		CCEDRM
N#Cc1ccc([O-])c(NC(=O)[C@@H]2CCC3N=NC(=O)N3C2)c1	ZINC001447047437	930553659	/nfs/dbraw/zinc/55/36/59/930553659.db2.gz	GGNVJIUHPUBSQA-SECBINFHSA-N	-1	0	299.290	0.762	20	30		CCEDRM
C=CCO[N-]C(=O)[C@H](NC(=O)C1CCCC1)[C@H](C)O	ZINC001449650998	931173531	/nfs/dbraw/zinc/17/35/31/931173531.db2.gz	BZMPPHVPVVZHIN-GXSJLCMTSA-N	-1	0	270.329	0.276	20	30		CCEDRM
C[C@H](Cc1ccc(C#N)cc1)C(=O)Nn1c(=O)[n-][nH]c1=O	ZINC001450465710	931292728	/nfs/dbraw/zinc/29/27/28/931292728.db2.gz	OUEHBBAZKDHIPL-MRVPVSSYSA-N	-1	0	287.279	0.510	20	30		CCEDRM
CN(CCC(=O)[O-])C(=O)C(=O)N1CCC(CC#N)CC1	ZINC001610920557	970789818	/nfs/dbraw/zinc/78/98/18/970789818.db2.gz	OASXXLSMWXLNTD-UHFFFAOYSA-N	-1	0	281.312	0.072	20	30		CCEDRM
Cc1nn(C)cc1COC(=O)[C@](C)(C#N)CC(=O)[O-]	ZINC001611254464	970957019	/nfs/dbraw/zinc/95/70/19/970957019.db2.gz	WWAUAJINKBYKSM-LBPRGKRZSA-N	-1	0	265.269	0.776	20	30		CCEDRM
N#Cc1ccc2c(c1)N(C(=O)C(=O)NCCC(=O)[O-])CC2	ZINC001611299535	970982475	/nfs/dbraw/zinc/98/24/75/970982475.db2.gz	HFRDQOOZVGLNCN-UHFFFAOYSA-N	-1	0	287.275	0.038	20	30		CCEDRM
C#C[C@@H]1CCCCN1C(=O)C(=O)N(C)C[C@@H](C)C(=O)[O-]	ZINC001602671845	971235324	/nfs/dbraw/zinc/23/53/24/971235324.db2.gz	HCYONNXBXLQODU-GHMZBOCLSA-N	-1	0	280.324	0.180	20	30		CCEDRM
C#CCC[C@@H](O)CNC(=O)c1ccc(C(=O)[O-])cc1	ZINC001602675334	971247757	/nfs/dbraw/zinc/24/77/57/971247757.db2.gz	RAQAZCRYHIXZSY-GFCCVEGCSA-N	-1	0	261.277	0.889	20	30		CCEDRM
C#C[C@H]1CCCN(CN2C[C@@H](C(=O)[O-])CC2=O)C1	ZINC001602675355	971247804	/nfs/dbraw/zinc/24/78/04/971247804.db2.gz	RUVLQVJXNMEGKG-QWRGUYRKSA-N	-1	0	250.298	0.222	20	30		CCEDRM
C#CCN(CC(=O)[O-])C(=O)CCNC(=O)OC(C)(C)C	ZINC001602682087	971265254	/nfs/dbraw/zinc/26/52/54/971265254.db2.gz	FRMFMBRZPPOLKS-UHFFFAOYSA-N	-1	0	284.312	0.448	20	30		CCEDRM
C#CCN(CC(=O)[O-])C(=O)C1(c2cc(C)no2)CC1	ZINC001602682259	971266743	/nfs/dbraw/zinc/26/67/43/971266743.db2.gz	KONCYXSNTPPAAA-UHFFFAOYSA-N	-1	0	262.265	0.561	20	30		CCEDRM
C#CCN(CC(=O)[O-])C(=O)Nc1ccc(C(N)=O)cc1C	ZINC001602688539	971291691	/nfs/dbraw/zinc/29/16/91/971291691.db2.gz	OYPAXJVTEUNCRL-UHFFFAOYSA-N	-1	0	289.291	0.646	20	30		CCEDRM
C#CCN(CC(=O)[O-])C[C@H](O)c1ccc(F)cn1	ZINC001602695690	971311027	/nfs/dbraw/zinc/31/10/27/971311027.db2.gz	QBNWOVJXHCQASD-NSHDSACASA-N	-1	0	252.245	0.274	20	30		CCEDRM
C#CCN(CC(=O)OC(C)(C)C)C(=O)[C@@H]1CC[C@H]1C(=O)[O-]	ZINC001602700805	971321790	/nfs/dbraw/zinc/32/17/90/971321790.db2.gz	JWSGUHRBPFPEKK-GHMZBOCLSA-N	-1	0	295.335	0.901	20	30		CCEDRM
C#C[C@H]1CC[C@H](NC(=O)[C@@]2(C(=O)[O-])CCCO2)CC1	ZINC001602704709	971336089	/nfs/dbraw/zinc/33/60/89/971336089.db2.gz	PKLGWUGPFAPWBM-JTNHKYCSSA-N	-1	0	265.309	0.928	20	30		CCEDRM
C#Cc1ccc(NC(=O)C(=O)N(C)C[C@H](C)C(=O)[O-])cc1	ZINC001602704744	971337392	/nfs/dbraw/zinc/33/73/92/971337392.db2.gz	QYPSZIISPJCYPC-JTQLQIEISA-N	-1	0	288.303	0.786	20	30		CCEDRM
C=C(C)C[C@@H](CO)NC(=O)c1ccc(C(=O)[O-])cn1	ZINC001602709486	971347092	/nfs/dbraw/zinc/34/70/92/971347092.db2.gz	CQWCTEXXTDSYHO-JTQLQIEISA-N	-1	0	264.281	0.837	20	30		CCEDRM
C#Cc1cccc(NC(=O)CN(C)C(=O)[C@@H](C)C(=O)[O-])c1	ZINC001602707221	971342888	/nfs/dbraw/zinc/34/28/88/971342888.db2.gz	MLKXCMBWWBJUCH-SNVBAGLBSA-N	-1	0	288.303	0.786	20	30		CCEDRM
C#Cc1cncc(-c2noc(COCC(=O)[O-])n2)c1	ZINC001602707486	971344405	/nfs/dbraw/zinc/34/44/05/971344405.db2.gz	XEINTRXQRTVFAG-UHFFFAOYSA-N	-1	0	259.221	0.714	20	30		CCEDRM
C=C(C)C[C@@H](NC(C)=O)C(=O)N(CCC)CC(=O)[O-]	ZINC001602710219	971350032	/nfs/dbraw/zinc/35/00/32/971350032.db2.gz	QGNVWIAZMHDMFP-LLVKDONJSA-N	-1	0	270.329	0.781	20	30		CCEDRM
C=C(C)Cn1c(N2CC[C@H](C(=O)[O-])C2)nnc1C1(O)CC1	ZINC001602712075	971353509	/nfs/dbraw/zinc/35/35/09/971353509.db2.gz	FYFBPTLKFUUHSJ-JTQLQIEISA-N	-1	0	292.339	0.747	20	30		CCEDRM
C=CCN(C(=O)C(=O)N1CCC(C(=O)[O-])CC1)C1CC1	ZINC001602721881	971383936	/nfs/dbraw/zinc/38/39/36/971383936.db2.gz	CEXFECKDEZCLSP-UHFFFAOYSA-N	-1	0	280.324	0.487	20	30		CCEDRM
C=CCN1CC[C@H](OC(=O)[C@@]2(C(=O)[O-])CC2(C)C)C1=O	ZINC001602722949	971391140	/nfs/dbraw/zinc/39/11/40/971391140.db2.gz	CFKVVEPQZWJAPO-XPTSAGLGSA-N	-1	0	281.308	0.817	20	30		CCEDRM
C=C[C@H](CO)NC(=O)Nc1cncc(C(=O)[O-])c1	ZINC001602730933	971410382	/nfs/dbraw/zinc/41/03/82/971410382.db2.gz	LDTDNVHUJDKCHB-MRVPVSSYSA-N	-1	0	251.242	0.448	20	30		CCEDRM
CC#CC[C@H](CO)NC(=O)[C@@H]1CO[C@H](CCC(=O)[O-])C1	ZINC001602735260	971418075	/nfs/dbraw/zinc/41/80/75/971418075.db2.gz	WSTLSFPWPXNJEA-QJPTWQEYSA-N	-1	0	283.324	0.147	20	30		CCEDRM
CC[C@](COC)(NC(=O)CSCC#N)C(=O)[O-]	ZINC000328502979	971484759	/nfs/dbraw/zinc/48/47/59/971484759.db2.gz	VYRUOGPXQFZJJA-SNVBAGLBSA-N	-1	0	260.315	0.239	20	30		CCEDRM
C[C@@](C#N)(CC(=O)[O-])C(=O)N1CCC(F)(F)[C@@H](CO)C1	ZINC001602779156	971514174	/nfs/dbraw/zinc/51/41/74/971514174.db2.gz	SFDHRSWUHGJHGZ-KCJUWKMLSA-N	-1	0	290.266	0.467	20	30		CCEDRM
C[C@](C#N)(CC(=O)[O-])C(=O)NCC(O)(C1CC1)C1CC1	ZINC001602780534	971519103	/nfs/dbraw/zinc/51/91/03/971519103.db2.gz	IMASMYLQCVZMKW-CYBMUJFWSA-N	-1	0	280.324	0.658	20	30		CCEDRM
C[C@](C#N)(CC(=O)[O-])C(=O)NC[C@@H]1C=C[C@H]2C[C@@H]1CO2	ZINC001602781369	971523289	/nfs/dbraw/zinc/52/32/89/971523289.db2.gz	YJBYWYXBCFXKEB-BBGACYKPSA-N	-1	0	278.308	0.698	20	30		CCEDRM
C#CCN(CC(=O)[O-])C(=O)CCNC(=O)C(C)(C)C	ZINC000092477823	949146952	/nfs/dbraw/zinc/14/69/52/949146952.db2.gz	AOSPQAWZJCLSIG-UHFFFAOYSA-N	-1	0	268.313	0.085	20	30		CCEDRM
C#CCN(CC(=O)[O-])C(=O)NC[C@H]1CCCCO1	ZINC000092491167	949160246	/nfs/dbraw/zinc/16/02/46/949160246.db2.gz	LLLFBJVRXBRNDK-SNVBAGLBSA-N	-1	0	254.286	0.285	20	30		CCEDRM
N#Cc1cc(F)ccc1NC(=O)c1cn(CC(=O)[O-])nn1	ZINC000126771269	949263202	/nfs/dbraw/zinc/26/32/02/949263202.db2.gz	TYFXUQVJXQTYQH-UHFFFAOYSA-N	-1	0	289.226	0.626	20	30		CCEDRM
CCN(C[C@@H](C)C#N)C(=O)[C@@H]1CC(C(=O)[O-])=NO1	ZINC000230758476	949705973	/nfs/dbraw/zinc/70/59/73/949705973.db2.gz	YITUVIDIFGHPRZ-CBAPKCEASA-N	-1	0	253.258	0.224	20	30		CCEDRM
C#CCN(CC(=O)[O-])C(=O)N[C@H](C)C1CCOCC1	ZINC000235172397	949851559	/nfs/dbraw/zinc/85/15/59/949851559.db2.gz	RSDXMHPUDYAPOO-SNVBAGLBSA-N	-1	0	268.313	0.531	20	30		CCEDRM
C[C@H](C(=O)[O-])N(C1CC1)S(=O)(=O)c1ccc(C#N)o1	ZINC001602820422	971625700	/nfs/dbraw/zinc/62/57/00/971625700.db2.gz	WMUJDIVYCLBQRH-SSDOTTSWSA-N	-1	0	284.293	0.777	20	30		CCEDRM
CCN(C(=O)Cc1noc(C)c1C#N)[C@H](C)C(=O)[O-]	ZINC001589703977	950263057	/nfs/dbraw/zinc/26/30/57/950263057.db2.gz	SIJULBHKDDLGQF-SSDOTTSWSA-N	-1	0	265.269	0.719	20	30		CCEDRM
CCN([C@@H](C)C(=O)[O-])S(=O)(=O)CC1(C#N)CCC1	ZINC001589713563	950349193	/nfs/dbraw/zinc/34/91/93/950349193.db2.gz	XLDPODHOUBEWCZ-VIFPVBQESA-N	-1	0	274.342	0.805	20	30		CCEDRM
CCN(CCC#N)C(=O)[C@H]1CCCN(CC(=O)[O-])C1=O	ZINC001589729880	950485939	/nfs/dbraw/zinc/48/59/39/950485939.db2.gz	FMCMBAUJVYLIBS-SNVBAGLBSA-N	-1	0	281.312	0.072	20	30		CCEDRM
C[C@@H]1C[C@H](NC(=O)[C@@](C)(C#N)CC(=O)[O-])[C@H](C)O1	ZINC001589289340	953587317	/nfs/dbraw/zinc/58/73/17/953587317.db2.gz	IOPZQVSXMQGNNI-JDVQERKKSA-N	-1	0	254.286	0.673	20	30		CCEDRM
C[C@@H]1CC[C@H](CNC(=O)[C@@](C)(C#N)CC(=O)[O-])O1	ZINC001589324341	953888116	/nfs/dbraw/zinc/88/81/16/953888116.db2.gz	UIVOLRCEYIWIQM-KBVBSXBZSA-N	-1	0	254.286	0.675	20	30		CCEDRM
CCC(CC)(C(=O)[O-])C(=O)NC1CCN(CC#N)CC1	ZINC001589473966	954943375	/nfs/dbraw/zinc/94/33/75/954943375.db2.gz	NXDHTBLYBBKPSA-UHFFFAOYSA-N	-1	0	281.356	0.982	20	30		CCEDRM
Cc1oc(C#N)cc1C(=O)N1CCOC[C@@H]1C(=O)[O-]	ZINC001594507170	955368609	/nfs/dbraw/zinc/36/86/09/955368609.db2.gz	ZRNRLHOPEYHHMU-SNVBAGLBSA-N	-1	0	264.237	0.385	20	30		CCEDRM
Cc1onc(CC(=O)N(CC(=O)[O-])C2CCC2)c1C#N	ZINC001594510453	955383281	/nfs/dbraw/zinc/38/32/81/955383281.db2.gz	XMACWZLKGWEUSB-UHFFFAOYSA-N	-1	0	277.280	0.863	20	30		CCEDRM
C[C@H](CCC#N)CN1CCS(=O)(=O)C[C@@H]1C(=O)[O-]	ZINC001589012856	955395546	/nfs/dbraw/zinc/39/55/46/955395546.db2.gz	KIWNRIICZHKOAP-NXEZZACHSA-N	-1	0	274.342	0.110	20	30		CCEDRM
Cn1c(C#N)ccc1C(=O)OCCOCCC(=O)[O-]	ZINC001594517841	955430734	/nfs/dbraw/zinc/43/07/34/955430734.db2.gz	NZPAMZALUSEHMQ-UHFFFAOYSA-N	-1	0	266.253	0.545	20	30		CCEDRM
Cn1cc(C#N)cc1C(=O)Nc1c[nH]nc1C(=O)[O-]	ZINC001594526060	955502767	/nfs/dbraw/zinc/50/27/67/955502767.db2.gz	RVMLUXOMJOGFOE-UHFFFAOYSA-N	-1	0	259.225	0.570	20	30		CCEDRM
C[C@H](CNC(=O)NCC#C[C@@H]1CCCCO1)C(=O)[O-]	ZINC001589052450	955675375	/nfs/dbraw/zinc/67/53/75/955675375.db2.gz	XNGBSUYEYQQHCN-MNOVXSKESA-N	-1	0	268.313	0.579	20	30		CCEDRM
Cn1ccnc1C(=O)/C=C/c1cc(C(=O)[O-])nn1C	ZINC001594554519	955749184	/nfs/dbraw/zinc/74/91/84/955749184.db2.gz	QIIUNOKUSJMCLU-ONEGZZNKSA-N	-1	0	260.253	0.748	20	30		CCEDRM
Cn1nccc1[C@@H](NC(=O)c1ccc(C#N)n1C)C(=O)[O-]	ZINC001594590345	956051480	/nfs/dbraw/zinc/05/14/80/956051480.db2.gz	KSORZTMZUZOLRF-LLVKDONJSA-N	-1	0	287.279	0.186	20	30		CCEDRM
CO[C@H](C(=O)[O-])C(=O)OCc1nc(C#N)cs1	ZINC001593921591	956083257	/nfs/dbraw/zinc/08/32/57/956083257.db2.gz	ZHGRDVSMESMLDY-SSDOTTSWSA-N	-1	0	256.239	0.158	20	30		CCEDRM
N#CC[C@]1(O)CCN(C(=O)CCCCC(=O)[O-])C1	ZINC001594605724	956171207	/nfs/dbraw/zinc/17/12/07/956171207.db2.gz	HPGJZZMHCYTQRU-LBPRGKRZSA-N	-1	0	254.286	0.508	20	30		CCEDRM
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N#CCC1(CNC(=O)[C@@H]2CCCN(CC(=O)[O-])C2=O)CC1	ZINC001594606501	956184125	/nfs/dbraw/zinc/18/41/25/956184125.db2.gz	VJZDEHYFDNIYQT-JTQLQIEISA-N	-1	0	293.323	0.120	20	30		CCEDRM
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N#Cc1cc(F)c(C(=O)NCCOCC(=O)[O-])c(F)c1	ZINC001594617137	956247089	/nfs/dbraw/zinc/24/70/89/956247089.db2.gz	ZKKVOYVTVBSSCI-UHFFFAOYSA-N	-1	0	284.218	0.667	20	30		CCEDRM
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N#Cc1ccc(N2CCC[C@H](NC(=O)C(=O)[O-])C2=O)cc1	ZINC001594622183	956290901	/nfs/dbraw/zinc/29/09/01/956290901.db2.gz	ZVEPRWORDBXKCB-NSHDSACASA-N	-1	0	287.275	0.254	20	30		CCEDRM
N#Cc1ccc(S(=O)(=O)N[C@H]2C[C@@H](C(=O)[O-])C2)c(F)c1	ZINC001594626592	956318616	/nfs/dbraw/zinc/31/86/16/956318616.db2.gz	DPQIBFKVJYVBPL-DTORHVGOSA-N	-1	0	298.295	0.839	20	30		CCEDRM
N#Cc1ccsc1C(=O)Nc1ncn(CC(=O)[O-])n1	ZINC001594631832	956346694	/nfs/dbraw/zinc/34/66/94/956346694.db2.gz	OLOWYDXHAXLZDK-UHFFFAOYSA-N	-1	0	277.265	0.548	20	30		CCEDRM
N#Cc1sccc1N1CCN(C(=O)C(=O)[O-])CC1	ZINC001594634830	956364698	/nfs/dbraw/zinc/36/46/98/956364698.db2.gz	BCPIJNZJDIICMY-UHFFFAOYSA-N	-1	0	265.294	0.353	20	30		CCEDRM
N#Cc1csc(CNC(=O)C2(C(=O)[O-])CCOCC2)n1	ZINC001594635287	956368181	/nfs/dbraw/zinc/36/81/81/956368181.db2.gz	YSWMHQXWTGFERG-UHFFFAOYSA-N	-1	0	295.320	0.512	20	30		CCEDRM
N#Cc1sccc1C(=O)NCCOCC(=O)[O-]	ZINC001594635558	956370518	/nfs/dbraw/zinc/37/05/18/956370518.db2.gz	PLGYIPCQXDLIBP-UHFFFAOYSA-N	-1	0	254.267	0.451	20	30		CCEDRM
C[C@@H](OC(=O)[C@@H]1CC[C@H](C(=O)[O-])C1)C(=O)N(C)CCC#N	ZINC001589159246	956392278	/nfs/dbraw/zinc/39/22/78/956392278.db2.gz	IOEWSLPLBWVAAB-OUAUKWLOSA-N	-1	0	296.323	0.791	20	30		CCEDRM
COC[C@@]1(C(=O)[O-])CCN(C(=O)[C@@]2(C#N)CCCOC2)C1	ZINC001593959528	956472932	/nfs/dbraw/zinc/47/29/32/956472932.db2.gz	AZTHWXXIVXVSBO-ZIAGYGMSSA-N	-1	0	296.323	0.256	20	30		CCEDRM
C[C@H](CC#N)NC(=O)C(=O)Nc1ccc(C(=O)[O-])cc1F	ZINC001603118469	972197697	/nfs/dbraw/zinc/19/76/97/972197697.db2.gz	AOPXBVHCEGMJQC-SSDOTTSWSA-N	-1	0	293.254	0.881	20	30		CCEDRM
C[C@@](C#N)(CC(=O)[O-])C(=O)N[C@H]1COC(C)(C)C1	ZINC001589210958	956686575	/nfs/dbraw/zinc/68/65/75/956686575.db2.gz	AUFCVRGOPDBYFH-PELKAZGASA-N	-1	0	254.286	0.675	20	30		CCEDRM
COC[C@]1(C(=O)[O-])CN(Cc2cncc(C#N)c2)CCO1	ZINC001593984361	956747958	/nfs/dbraw/zinc/74/79/58/956747958.db2.gz	PSMINJIAXIAMIU-AWEZNQCLSA-N	-1	0	291.307	0.255	20	30		CCEDRM
CC1(C)CCCN(C(=O)COCC(=O)[O-])[C@H]1C#N	ZINC001589226059	956795775	/nfs/dbraw/zinc/79/57/75/956795775.db2.gz	WFNOYZWWFDFYCH-VIFPVBQESA-N	-1	0	254.286	0.628	20	30		CCEDRM
COCC[C@@H](C)CNC(=O)[C@@](C)(C#N)CC(=O)[O-]	ZINC001593989609	956822821	/nfs/dbraw/zinc/82/28/21/956822821.db2.gz	ATJKRAPUBGRRBJ-BXKDBHETSA-N	-1	0	256.302	0.780	20	30		CCEDRM
O=C(C[n+]1ccccc1)N=NC=c1ccc(=C([O-])[O-])s1	ZINC001594704298	956833429	/nfs/dbraw/zinc/83/34/29/956833429.db2.gz	XFBNIODAWGATCI-UHFFFAOYSA-O	-1	0	290.324	0.634	20	30		CCEDRM
C#CCNC(=O)CSc1ncccc1C(=O)[O-]	ZINC000019472921	957112630	/nfs/dbraw/zinc/11/26/30/957112630.db2.gz	CLGCQWVYIUZMRO-UHFFFAOYSA-N	-1	0	250.279	0.621	20	30		CCEDRM
N#CCCNC(=O)CN(CC(=O)[O-])C1CCCC1	ZINC000037596904	957312675	/nfs/dbraw/zinc/31/26/75/957312675.db2.gz	JKIPWJKNLRDGRY-UHFFFAOYSA-N	-1	0	253.302	0.345	20	30		CCEDRM
N#CCNS(=O)(=O)Cc1ccc(C(=O)[O-])cc1	ZINC000040605445	957379161	/nfs/dbraw/zinc/37/91/61/957379161.db2.gz	IZFSZGRZKCMSEL-UHFFFAOYSA-N	-1	0	254.267	0.328	20	30		CCEDRM
COCC[C@H](NC(=O)COc1ccccc1C#N)C(=O)[O-]	ZINC000052784762	957512018	/nfs/dbraw/zinc/51/20/18/957512018.db2.gz	DLQZRPKBQWZONR-NSHDSACASA-N	-1	0	292.291	0.543	20	30		CCEDRM
C[C@H](CC#N)N(C)S(=O)(=O)c1n[nH]cc1C(=O)[O-]	ZINC000063088098	957634284	/nfs/dbraw/zinc/63/42/84/957634284.db2.gz	JCYNVTIHWHKKLI-ZCFIWIBFSA-N	-1	0	272.286	0.031	20	30		CCEDRM
Cc1cc(C(=O)[O-])cc(C(=O)N[C@@H]2CCCN(O)C2=O)c1	ZINC001594287021	957787548	/nfs/dbraw/zinc/78/75/48/957787548.db2.gz	SOGDFTSYHGODMX-LLVKDONJSA-N	-1	0	292.291	0.803	20	30		CCEDRM
CON=CC(=O)N1CCc2ccccc2[C@@H]1C(=O)[O-]	ZINC001594042289	957884249	/nfs/dbraw/zinc/88/42/49/957884249.db2.gz	IARFTWCQOJZZOO-GFCCVEGCSA-N	-1	0	262.265	0.829	20	30		CCEDRM
C#CC[C@@H](COC)NC(=O)Nc1ccnc(C(=O)[O-])c1	ZINC001588388534	957995003	/nfs/dbraw/zinc/99/50/03/957995003.db2.gz	CASLWLXHRUNZMM-JTQLQIEISA-N	-1	0	277.280	0.940	20	30		CCEDRM
C#C[C@H](CO)NCc1ccc(N2CCC(C(=O)[O-])CC2)o1	ZINC001588388679	957997969	/nfs/dbraw/zinc/99/79/69/957997969.db2.gz	YRFPQJWRVNQJHV-GFCCVEGCSA-N	-1	0	292.335	0.664	20	30		CCEDRM
C#CC1CCN(C(=O)C(=O)NC[C@H](CC)C(=O)[O-])CC1	ZINC001588388748	957999791	/nfs/dbraw/zinc/99/97/91/957999791.db2.gz	FRWXSLFMUKTTBP-NSHDSACASA-N	-1	0	280.324	0.085	20	30		CCEDRM
C#CC[C@H](COC)NC(=O)[C@@]1(C(=O)[O-])CC1(C)C	ZINC001588389078	958004641	/nfs/dbraw/zinc/00/46/41/958004641.db2.gz	LXGPHNMILNTERK-NOZJJQNGSA-N	-1	0	253.298	0.642	20	30		CCEDRM
C#CC[C@@H]1NC(=O)N(CCC(C)(C)C(=O)[O-])C1=O	ZINC001588391318	958022387	/nfs/dbraw/zinc/02/23/87/958022387.db2.gz	FJVFJTIOTJFRMK-QMMMGPOBSA-N	-1	0	252.270	0.431	20	30		CCEDRM
C#CC[C@@H]1CCCN(C(=O)[C@@H]2CC(C(=O)[O-])=NO2)C1	ZINC001588392296	958031735	/nfs/dbraw/zinc/03/17/35/958031735.db2.gz	XBGNNGVHUWAWNN-KOLCDFICSA-N	-1	0	264.281	0.478	20	30		CCEDRM
C#CCN(C(=O)C(=O)NC[C@@H](CC)C(=O)[O-])C(C)C	ZINC001588395195	958037762	/nfs/dbraw/zinc/03/77/62/958037762.db2.gz	DCWRZEJWCDERCR-SNVBAGLBSA-N	-1	0	268.313	0.084	20	30		CCEDRM
C#CCN(C1CC1)S(=O)(=O)N1CCC(C(=O)[O-])CC1	ZINC001588396350	958049845	/nfs/dbraw/zinc/04/98/45/958049845.db2.gz	XZXUSZUBSXEVMU-UHFFFAOYSA-N	-1	0	286.353	0.125	20	30		CCEDRM
C#CCN(CC(=O)[O-])C(=O)[C@@]1(C)COc2ccccc2O1	ZINC001588397535	958059050	/nfs/dbraw/zinc/05/90/50/958059050.db2.gz	LDXWNVACYSCAHI-OAHLLOKOSA-N	-1	0	289.287	0.763	20	30		CCEDRM
C#CCN(CC(=O)[O-])C(=O)[C@@](C)(OC)C(=O)OC(C)(C)C	ZINC001588397758	958064059	/nfs/dbraw/zinc/06/40/59/958064059.db2.gz	SWKXODUTMTWBCH-CQSZACIVSA-N	-1	0	299.323	0.280	20	30		CCEDRM
C#CCN(CC(=O)[O-])C(=O)[C@@]12C[C@@H]1COC2(C)C	ZINC001588400086	958078110	/nfs/dbraw/zinc/07/81/10/958078110.db2.gz	RGGNFBYIIWMBDM-NOZJJQNGSA-N	-1	0	251.282	0.348	20	30		CCEDRM
C#CCN(CC(=O)[O-])C(=O)CN1CCc2ccccc21	ZINC001588401721	958084453	/nfs/dbraw/zinc/08/44/53/958084453.db2.gz	BDUHWCWKOGHZDN-UHFFFAOYSA-N	-1	0	272.304	0.596	20	30		CCEDRM
C#CCN(CC(=O)[O-])C(=O)C[C@H]1CCC(=O)[C@@H]1C	ZINC001588402659	958094844	/nfs/dbraw/zinc/09/48/44/958094844.db2.gz	ZQFJYHKBRRTUQW-NXEZZACHSA-N	-1	0	251.282	0.538	20	30		CCEDRM
C#CCN(CC(=O)[O-])C(=O)NCCc1cccnc1C	ZINC001588408947	958120586	/nfs/dbraw/zinc/12/05/86/958120586.db2.gz	NWECWKKCDAOWLG-UHFFFAOYSA-N	-1	0	275.308	0.662	20	30		CCEDRM
C#CCN(CC(=O)[O-])C(=O)N[C@@H]1CCN(CC(F)F)C1	ZINC001588410148	958135581	/nfs/dbraw/zinc/13/55/81/958135581.db2.gz	POYMVJCNDPVPKW-SECBINFHSA-N	-1	0	289.282	0.055	20	30		CCEDRM
COc1cc(OC(=O)[C@@H](OC)C(=O)[O-])ccc1C#N	ZINC001594066754	958139709	/nfs/dbraw/zinc/13/97/09/958139709.db2.gz	WSOLHUQGAHLHNQ-JTQLQIEISA-N	-1	0	265.221	0.572	20	30		CCEDRM
C#CCN(CC(=O)[O-])C(=O)NC1CC2(C1)CO[C@@H](C)C2	ZINC001588410701	958142737	/nfs/dbraw/zinc/14/27/37/958142737.db2.gz	YVWDMOZXFFCBIH-IFQILLTASA-N	-1	0	280.324	0.673	20	30		CCEDRM
C#CCN(CC(=O)[O-])C(=O)Nc1c(C)cnn1CC	ZINC001588411014	958143981	/nfs/dbraw/zinc/14/39/81/958143981.db2.gz	DVUVRXVWNSOPPG-UHFFFAOYSA-N	-1	0	264.285	0.763	20	30		CCEDRM
C#CCN(CC(=O)[O-])C(=O)Nc1ccnc(N(C)C)c1	ZINC001588412769	958153185	/nfs/dbraw/zinc/15/31/85/958153185.db2.gz	JWZYVBCDCSKQEX-UHFFFAOYSA-N	-1	0	276.296	0.699	20	30		CCEDRM
C#CCN(CC(=O)[O-])C(=O)[C@@]1(c2ccccc2)C[C@@H](O)C1	ZINC001588417260	958169095	/nfs/dbraw/zinc/16/90/95/958169095.db2.gz	FIBGYXCWFSCJPY-AKAXFMLLSA-N	-1	0	287.315	0.626	20	30		CCEDRM
C#CCN(CC(=O)[O-])C(=O)c1cnc(C2OCCO2)s1	ZINC001588418446	958179550	/nfs/dbraw/zinc/17/95/50/958179550.db2.gz	GUARMAWCOFKEKW-UHFFFAOYSA-N	-1	0	296.304	0.349	20	30		CCEDRM
C#CCN(CC(=O)[O-])C(=O)c1nnn(-c2ccccc2)c1C	ZINC001588418721	958184131	/nfs/dbraw/zinc/18/41/31/958184131.db2.gz	PSNNWSUSGGOKJS-UHFFFAOYSA-N	-1	0	298.302	0.736	20	30		CCEDRM
C#CCN(CC(=O)[O-])C(=O)c1ccn(CC(F)(F)F)n1	ZINC001588418842	958187075	/nfs/dbraw/zinc/18/70/75/958187075.db2.gz	HAVMTTSLRMMMIP-UHFFFAOYSA-N	-1	0	289.213	0.605	20	30		CCEDRM
C#CCN(CC(=O)[O-])C(=O)c1cccc([N+](=O)[O-])c1N	ZINC001588419181	958192112	/nfs/dbraw/zinc/19/21/12/958192112.db2.gz	WIQMLSZOGBFOHJ-UHFFFAOYSA-N	-1	0	277.236	0.337	20	30		CCEDRM
C#CCN(CC(=O)[O-])CC(C)(C)CC(=O)OCC	ZINC001588420325	958202805	/nfs/dbraw/zinc/20/28/05/958202805.db2.gz	VXWUISPGWNNVKA-UHFFFAOYSA-N	-1	0	255.314	0.986	20	30		CCEDRM
C#CCN(CC(=O)[O-])Cc1ccc(C(=O)OC)o1	ZINC001588424377	958216629	/nfs/dbraw/zinc/21/66/29/958216629.db2.gz	PPMVURDUNLKFRZ-UHFFFAOYSA-N	-1	0	251.238	0.586	20	30		CCEDRM
C#CCN(CC(=O)[O-])Cc1cn(-c2ccc(F)cc2)nn1	ZINC001588425539	958225872	/nfs/dbraw/zinc/22/58/72/958225872.db2.gz	XLKKGFKQPITZIM-UHFFFAOYSA-N	-1	0	288.282	0.926	20	30		CCEDRM
C#CCN(CC(=O)[O-])c1nnc([C@@H]2CCCCO2)n1C	ZINC001588427234	958241089	/nfs/dbraw/zinc/24/10/89/958241089.db2.gz	RAVFXEROOCXEMR-JTQLQIEISA-N	-1	0	278.312	0.581	20	30		CCEDRM
C#CCN1CCC[C@H](NC(=O)[C@@H]2CC[C@H]2C(=O)[O-])C1	ZINC001588430768	958259093	/nfs/dbraw/zinc/25/90/93/958259093.db2.gz	OJMQVMJILCGCGF-QJPTWQEYSA-N	-1	0	264.325	0.311	20	30		CCEDRM
C#CCOCCC(=O)Nc1ccn(C(C)(C)C(=O)[O-])n1	ZINC001588431680	958274807	/nfs/dbraw/zinc/27/48/07/958274807.db2.gz	UZJCBUVJHSNUFD-UHFFFAOYSA-N	-1	0	279.296	0.681	20	30		CCEDRM
C#Cc1ccc(CNC(=O)[C@@](C)(OC)C(=O)[O-])cc1	ZINC001588439383	958316463	/nfs/dbraw/zinc/31/64/63/958316463.db2.gz	UDNKZQIKPOZGMS-CQSZACIVSA-N	-1	0	261.277	0.774	20	30		CCEDRM
C=C[C@@](C)(O)CC(=O)NC[C@@H](C(=O)[O-])C1CCC1	ZINC001588451079	958404941	/nfs/dbraw/zinc/40/49/41/958404941.db2.gz	LNNGCQJMXHXBQI-ZWNOBZJWSA-N	-1	0	255.314	0.931	20	30		CCEDRM
C=C[C@@H](O)C(=O)Nc1cnn(C(C)(C)C(=O)[O-])c1	ZINC001588452023	958416953	/nfs/dbraw/zinc/41/69/53/958416953.db2.gz	HLOJDEXAYIUQTN-MRVPVSSYSA-N	-1	0	253.258	0.188	20	30		CCEDRM
C=CC[C@@H](CO)NC(=O)c1ccc(OCC(=O)[O-])cc1	ZINC001588452707	958425864	/nfs/dbraw/zinc/42/58/64/958425864.db2.gz	HQFBRSOORYPDRI-NSHDSACASA-N	-1	0	279.292	0.817	20	30		CCEDRM
C=CC[C@H](NC(=O)[C@@H](C(=O)[O-])C(C)C)C(=O)OCC	ZINC001588453251	958435068	/nfs/dbraw/zinc/43/50/68/958435068.db2.gz	TVJRDTWNGLZZKZ-UWVGGRQHSA-N	-1	0	271.313	0.967	20	30		CCEDRM
C=CCC[C@@H](CO)NC(=O)N[C@H]1CC[C@@H](C(=O)[O-])C1	ZINC001588457368	958449696	/nfs/dbraw/zinc/44/96/96/958449696.db2.gz	WQONRJJYSBZFOY-VWYCJHECSA-N	-1	0	270.329	0.866	20	30		CCEDRM
C#C[C@@H](C)NS(=O)(=O)c1cccc(C(=O)[O-])c1	ZINC000122975484	958491625	/nfs/dbraw/zinc/49/16/25/958491625.db2.gz	HHYFWPSDPHAYAZ-MRVPVSSYSA-N	-1	0	253.279	0.685	20	30		CCEDRM
C=CCn1c([C@@H](O)C2CC2)nnc1N1CC[C@@H](C(=O)[O-])C1	ZINC001588470364	958524631	/nfs/dbraw/zinc/52/46/31/958524631.db2.gz	LCPRJEDBKADEML-MNOVXSKESA-N	-1	0	292.339	0.818	20	30		CCEDRM
C[C@@](C#N)(CC(=O)[O-])C(=O)Nc1nc(C2CC2)no1	ZINC001573363332	958606965	/nfs/dbraw/zinc/60/69/65/958606965.db2.gz	IYHFQEQGORHOLN-NSHDSACASA-N	-1	0	264.241	0.890	20	30		CCEDRM
Cc1ccnc(N2CCOC[C@@H]2CC(=O)[O-])c1C#N	ZINC000135053819	958882299	/nfs/dbraw/zinc/88/22/99/958882299.db2.gz	PQOUVDADWCIRCG-JTQLQIEISA-N	-1	0	261.281	0.942	20	30		CCEDRM
Cc1sc(N2CCO[C@@H](C#N)C2)nc1C(=O)[O-]	ZINC000137329308	958922820	/nfs/dbraw/zinc/92/28/20/958922820.db2.gz	XGYPHBBAOAZSEX-ZETCQYMHSA-N	-1	0	253.283	0.879	20	30		CCEDRM
C[C@@](C#N)(CC(=O)[O-])C(=O)N1CC[C@H](Cn2ccnn2)C1	ZINC001588534855	958925026	/nfs/dbraw/zinc/92/50/26/958925026.db2.gz	KFUOUUOWPZLJBN-GWCFXTLKSA-N	-1	0	291.311	0.131	20	30		CCEDRM
C[C@@](C#N)(CC(=O)[O-])C(=O)N1CCN(c2ncc[nH]2)CC1	ZINC001588538477	958940618	/nfs/dbraw/zinc/94/06/18/958940618.db2.gz	ISLQDIBGPGOEHB-ZDUSSCGKSA-N	-1	0	291.311	0.063	20	30		CCEDRM
C[C@](C#N)(CC(=O)[O-])C(=O)OC[C@@H]1C[C@]12CCOC2	ZINC001588540424	958962169	/nfs/dbraw/zinc/96/21/69/958962169.db2.gz	ZJMOGDNPNSWQSA-BIMULSAOSA-N	-1	0	267.281	0.961	20	30		CCEDRM
C[C@](C#N)(NC(=O)CN(CC(=O)[O-])CC1CC1)C1CC1	ZINC001588543417	958978455	/nfs/dbraw/zinc/97/84/55/958978455.db2.gz	LLDKDGOZAGLMCA-CQSZACIVSA-N	-1	0	279.340	0.591	20	30		CCEDRM
C[C@H](C(=O)[O-])C(=O)N1CC[C@H](Oc2ccc(C#N)cn2)C1	ZINC001588564295	959121720	/nfs/dbraw/zinc/12/17/20/959121720.db2.gz	FXXGXFUSCKERRR-ONGXEEELSA-N	-1	0	289.291	0.654	20	30		CCEDRM
Cc1cn(C)nc1COC(=O)[C@](C)(C#N)CC(=O)[O-]	ZINC001594425743	959122655	/nfs/dbraw/zinc/12/26/55/959122655.db2.gz	MSCSELTXKNNORC-LBPRGKRZSA-N	-1	0	265.269	0.776	20	30		CCEDRM
C#CC[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)[O-]	ZINC000161266736	959180258	/nfs/dbraw/zinc/18/02/58/959180258.db2.gz	PSYIIBMWOHPSKY-NSHDSACASA-N	-1	0	278.289	0.313	20	30		CCEDRM
N#C[C@@H]1CN(c2ncc(C(=O)[O-])cc2[N+](=O)[O-])CCO1	ZINC000162455787	959215647	/nfs/dbraw/zinc/21/56/47/959215647.db2.gz	QZQTVHPVPLSMLR-MRVPVSSYSA-N	-1	0	278.224	0.417	20	30		CCEDRM
C[C@@H](CNC(=O)Nc1cccc(CC#N)n1)C(=O)[O-]	ZINC001573551823	959236646	/nfs/dbraw/zinc/23/66/46/959236646.db2.gz	PLSGDUVLGANOMT-QMMMGPOBSA-N	-1	0	262.269	0.990	20	30		CCEDRM
C[C@@H](NS(=O)(=O)c1cccc(C#N)c1Cl)C(=O)[O-]	ZINC001573578746	959339822	/nfs/dbraw/zinc/33/98/22/959339822.db2.gz	LSPBETIMZTUBCA-ZCFIWIBFSA-N	-1	0	288.712	0.963	20	30		CCEDRM
CC(C)(C(=O)[O-])C(=O)OCC(=O)N[C@](C)(C#N)C1CC1	ZINC001588618777	959536979	/nfs/dbraw/zinc/53/69/79/959536979.db2.gz	ZSBXASKZDIRZOJ-CYBMUJFWSA-N	-1	0	282.296	0.449	20	30		CCEDRM
Cc1c(C#N)cccc1C(=O)NC[C@](C)(O)C(=O)[O-]	ZINC001594252870	959627795	/nfs/dbraw/zinc/62/77/95/959627795.db2.gz	HTMYBUNSXDSFAZ-ZDUSSCGKSA-N	-1	0	262.265	0.432	20	30		CCEDRM
Cc1c(C#N)cccc1C(=O)OCC(=O)NCC(=O)[O-]	ZINC001594253299	959631272	/nfs/dbraw/zinc/63/12/72/959631272.db2.gz	WIBCRBYAXHOJDA-UHFFFAOYSA-N	-1	0	276.248	0.224	20	30		CCEDRM
N#Cc1cccc(CN2C[C@H](O)C[C@@H]2C(=O)[O-])c1F	ZINC000222398717	959814901	/nfs/dbraw/zinc/81/49/01/959814901.db2.gz	PAVDXNBELCPACJ-GHMZBOCLSA-N	-1	0	264.256	0.717	20	30		CCEDRM
N#C[C@@H]1CN(C(=O)c2cc(C(=O)[O-])co2)CCO1	ZINC000228149775	959992910	/nfs/dbraw/zinc/99/29/10/959992910.db2.gz	QXRDNUWGRUMHBL-MRVPVSSYSA-N	-1	0	250.210	0.342	20	30		CCEDRM
C#CC[C@@H](NS(=O)(=O)c1ccc(C#N)s1)C(=O)[O-]	ZINC000230326451	960144733	/nfs/dbraw/zinc/14/47/33/960144733.db2.gz	IJNLIXCHBYTPJR-MRVPVSSYSA-N	-1	0	284.318	0.375	20	30		CCEDRM
Cc1cc(NC(=O)N2CC[C@@](O)(C(=O)[O-])C2)ncc1C#N	ZINC001571037832	960546344	/nfs/dbraw/zinc/54/63/44/960546344.db2.gz	BAABLHPWKQTVEL-ZDUSSCGKSA-N	-1	0	290.279	0.315	20	30		CCEDRM
CO[C@H]1CC[C@@H](NC(=O)N2CCC(C#N)(C(=O)[O-])CC2)C1	ZINC001571056416	960733017	/nfs/dbraw/zinc/73/30/17/960733017.db2.gz	VDKPIIJQXXRZES-MNOVXSKESA-N	-1	0	295.339	0.954	20	30		CCEDRM
Cn1nc(C(=O)[O-])cc1C(=O)N[C@@H]1CC[C@H](C#N)C1	ZINC001574464839	961559801	/nfs/dbraw/zinc/55/98/01/961559801.db2.gz	CLNXRHDXVJVYNE-JGVFFNPUSA-N	-1	0	262.269	0.540	20	30		CCEDRM
CC(C)[C@H](CNC(=O)NC1CCN(CC#N)CC1)C(=O)[O-]	ZINC001588822614	961638976	/nfs/dbraw/zinc/63/89/76/961638976.db2.gz	CSJZTHPPJYDBIN-LBPRGKRZSA-N	-1	0	296.371	0.630	20	30		CCEDRM
N#CCn1cc(NC(=O)[C@@H]2CO[C@H](CCC(=O)[O-])C2)cn1	ZINC001574479567	961650515	/nfs/dbraw/zinc/65/05/15/961650515.db2.gz	JYBIWYPKKXURNZ-GXSJLCMTSA-N	-1	0	292.295	0.615	20	30		CCEDRM
N#CCCN(CCC#N)C(=O)[C@H]1CO[C@H](CCC(=O)[O-])C1	ZINC001574480262	961660689	/nfs/dbraw/zinc/66/06/89/961660689.db2.gz	CUVHFXGNMXPEOL-VXGBXAGGSA-N	-1	0	293.323	0.912	20	30		CCEDRM
CN(CCC(=O)[O-])C(=O)CNc1ccc(C#N)cn1	ZINC001574008074	961915823	/nfs/dbraw/zinc/91/58/23/961915823.db2.gz	UBMOUCHPZYIAJR-UHFFFAOYSA-N	-1	0	262.269	0.298	20	30		CCEDRM
CO[C@@H](C(=O)[O-])C(=O)Nc1cc(C)n(CCC#N)n1	ZINC001574104811	962425772	/nfs/dbraw/zinc/42/57/72/962425772.db2.gz	JBWWGRDGHDMMLN-SECBINFHSA-N	-1	0	266.257	0.143	20	30		CCEDRM
CC(C)NC(=O)OC1CN(C(=O)[C@](C)(C#N)CC(=O)[O-])C1	ZINC001588928125	962443853	/nfs/dbraw/zinc/44/38/53/962443853.db2.gz	SKKKXSPCVZRMJB-ZDUSSCGKSA-N	-1	0	297.311	0.336	20	30		CCEDRM
C=CCO[C@H]1CCN(C(=O)[C@H]2C[C@@H](C(=O)[O-])C2)C1	ZINC001517352050	962772215	/nfs/dbraw/zinc/77/22/15/962772215.db2.gz	WQMRDIZOAYSGND-AXFHLTTASA-N	-1	0	253.298	0.901	20	30		CCEDRM
C=C(C)C[C@@H](NC(=O)c1cn(C[C@@H](O)CC)nn1)C(=O)[O-]	ZINC001573323943	962778077	/nfs/dbraw/zinc/77/80/77/962778077.db2.gz	JLZKCVNOKZCGSP-VHSXEESVSA-N	-1	0	296.327	0.198	20	30		CCEDRM
C=C(CCC(=O)[O-])C(=O)N1CCN(C(C)=O)C[C@H]1C	ZINC001573331780	962816476	/nfs/dbraw/zinc/81/64/76/962816476.db2.gz	ANHAZTOCIWQTEO-SNVBAGLBSA-N	-1	0	268.313	0.487	20	30		CCEDRM
C=C(CCC(=O)[O-])C(=O)NC[C@@]1(C)CCC(=O)N1	ZINC001573331909	962820056	/nfs/dbraw/zinc/82/00/56/962820056.db2.gz	AYMDGQKWRJFOMP-GFCCVEGCSA-N	-1	0	254.286	0.192	20	30		CCEDRM
C=C(CCC(=O)[O-])C(=O)N1CCO[C@]2(CCO[C@H]2C)C1	ZINC001573332191	962827733	/nfs/dbraw/zinc/82/77/33/962827733.db2.gz	KGRUJUOWQAXLHH-SMDDNHRTSA-N	-1	0	283.324	0.814	20	30		CCEDRM
C=C(CCC(=O)[O-])C(=O)N[C@H]1CCc2nc[nH]c2C1	ZINC001573332282	962829210	/nfs/dbraw/zinc/82/92/10/962829210.db2.gz	GKCDADASLFLMFI-VIFPVBQESA-N	-1	0	263.297	0.804	20	30		CCEDRM
C=C(CCC(=O)[O-])C(=O)N1CC[C@@H](N2CCCC2=O)C1	ZINC001573332552	962837438	/nfs/dbraw/zinc/83/74/38/962837438.db2.gz	OUQULAYTGCUJDT-LLVKDONJSA-N	-1	0	280.324	0.631	20	30		CCEDRM
C=C(CCC(=O)[O-])C(=O)NCc1cn(C(C)C)nn1	ZINC001573338109	962871752	/nfs/dbraw/zinc/87/17/52/962871752.db2.gz	XVERMBOFPSQYDE-UHFFFAOYSA-N	-1	0	266.301	0.896	20	30		CCEDRM
C=C[C@@](C)(CC)C(=O)N(CC)CCNC(=O)CNC(=O)[O-]	ZINC001573348425	962958935	/nfs/dbraw/zinc/95/89/35/962958935.db2.gz	WZQLRLQHOLUVFS-AWEZNQCLSA-N	-1	0	299.371	0.821	20	30		CCEDRM
N#Cc1ncccc1S(=O)(=O)N[C@H]1CCC[C@H]1C(=O)[O-]	ZINC000300189906	962989447	/nfs/dbraw/zinc/98/94/47/962989447.db2.gz	BMOMALFXWQKZIK-BDAKNGLRSA-N	-1	0	295.320	0.485	20	30		CCEDRM
C=CCCC(=O)N[C@@H]1CCCN(C(=O)CNC(=O)[O-])CC1	ZINC001573353175	962997339	/nfs/dbraw/zinc/99/73/39/962997339.db2.gz	QOICWLWHLWJZGR-LLVKDONJSA-N	-1	0	297.355	0.718	20	30		CCEDRM
Cc1nnc(N2CCC(C#N)(C(=O)[O-])CC2)nc1C	ZINC001570976481	963056714	/nfs/dbraw/zinc/05/67/14/963056714.db2.gz	JLGUTKAKKKGURH-UHFFFAOYSA-N	-1	0	261.285	0.683	20	30		CCEDRM
N#Cc1ccc(C(=O)NC[C@@]2(C(=O)[O-])CCOC2)[nH]1	ZINC001570981941	963090091	/nfs/dbraw/zinc/09/00/91/963090091.db2.gz	BFLAHHQFXKXPJS-LBPRGKRZSA-N	-1	0	263.253	0.107	20	30		CCEDRM
C[C@H](NC(=O)[C@H](C)Nc1ncccc1C#N)C(=O)[O-]	ZINC001570982281	963095427	/nfs/dbraw/zinc/09/54/27/963095427.db2.gz	RGAIGZZPMLXBJX-YUMQZZPRSA-N	-1	0	262.269	0.343	20	30		CCEDRM
C#CC[C@H](NS(=O)(=O)CCC1CCC1)C(=O)[O-]	ZINC000304494434	963146903	/nfs/dbraw/zinc/14/69/03/963146903.db2.gz	PQIMXQFXQQBJKW-JTQLQIEISA-N	-1	0	259.327	0.573	20	30		CCEDRM
N#Cc1cc(C(=O)NC[C@H](C(=O)[O-])[C@H]2CCOC2)co1	ZINC001571007999	963255141	/nfs/dbraw/zinc/25/51/41/963255141.db2.gz	CHFNMWXTFVLDDL-KWQFWETISA-N	-1	0	278.264	0.618	20	30		CCEDRM
C[C@@H]1CN(S(=O)(=O)c2cncc(C#N)c2)C[C@H]1C(=O)[O-]	ZINC000312781042	963592683	/nfs/dbraw/zinc/59/26/83/963592683.db2.gz	YWISCVHWVFVKJA-LDYMZIIASA-N	-1	0	295.320	0.294	20	30		CCEDRM
C#CCCCC(=O)N1CC(N(C)C(=O)[C@@H]2C[C@H]2C(=O)[O-])C1	ZINC001588435710	964024988	/nfs/dbraw/zinc/02/49/88/964024988.db2.gz	XKDZGRSFAXSVGK-VXGBXAGGSA-N	-1	0	292.335	0.180	20	30		CCEDRM
C#Cc1ccc(S(=O)(=O)NC[C@@H](C)C(=O)[O-])cc1	ZINC001588438779	964026556	/nfs/dbraw/zinc/02/65/56/964026556.db2.gz	BDDNKJBDOXMPLD-SECBINFHSA-N	-1	0	267.306	0.667	20	30		CCEDRM
C#Cc1cncc(C(=O)Nc2c[nH]nc2C(=O)[O-])c1	ZINC001588438963	964026688	/nfs/dbraw/zinc/02/66/88/964026688.db2.gz	AIGBBRGYLXMMJQ-UHFFFAOYSA-N	-1	0	256.221	0.737	20	30		CCEDRM
C#CCCCNS(=O)(=O)CC1(C(=O)[O-])CCCC1	ZINC001588446291	964070831	/nfs/dbraw/zinc/07/08/31/964070831.db2.gz	CSYKNSOYDYKNMJ-UHFFFAOYSA-N	-1	0	273.354	0.964	20	30		CCEDRM
C#CCCCn1nnnc1N1CCC2(C[C@H]2C(=O)[O-])CC1	ZINC001588447849	964092230	/nfs/dbraw/zinc/09/22/30/964092230.db2.gz	QTXMFWIURCVVOT-NSHDSACASA-N	-1	0	289.339	0.778	20	30		CCEDRM
N#Cc1cc([N+](=O)[O-])ccc1N1CCOC[C@@H]1C(=O)[O-]	ZINC000088377589	967584383	/nfs/dbraw/zinc/58/43/83/967584383.db2.gz	HUFIPSALDRUTNT-LLVKDONJSA-N	-1	0	277.236	0.756	20	30		CCEDRM
C#CCN(CC(=O)[O-])C(=O)NCc1c(C)noc1C	ZINC000092492098	967599106	/nfs/dbraw/zinc/59/91/06/967599106.db2.gz	UHZJEVBYGGFJNP-UHFFFAOYSA-N	-1	0	265.269	0.521	20	30		CCEDRM
C#CCN(CC(=O)[O-])C(=O)N[C@@H]1C[C@H](C)O[C@H]1C	ZINC000394970321	968220709	/nfs/dbraw/zinc/22/07/09/968220709.db2.gz	AGUQKEWXBSGAQU-LPEHRKFASA-N	-1	0	254.286	0.282	20	30		CCEDRM
C[C@H](NC(=O)[C@H]1CC(C(=O)[O-])=NO1)c1cccc(C#N)c1	ZINC001573611201	969822382	/nfs/dbraw/zinc/82/23/82/969822382.db2.gz	IWGKQXDCDRIFBV-QPUJVOFHSA-N	-1	0	287.275	0.965	20	30		CCEDRM
N#C[C@H]1C[C@H]1C(=O)NC1(CC(=O)[O-])CCOCC1	ZINC001574241140	969850597	/nfs/dbraw/zinc/85/05/97/969850597.db2.gz	IEAYYDKPYNSHJO-RKDXNWHRSA-N	-1	0	252.270	0.286	20	30		CCEDRM
CCc1nc(NC(=O)[C@](C)(C#N)CC(=O)[O-])n[nH]1	ZINC001610437794	970743617	/nfs/dbraw/zinc/74/36/17/970743617.db2.gz	HBNLSWDMIPJVID-JTQLQIEISA-N	-1	0	251.246	0.310	20	30		CCEDRM
Cc1c(C(=O)N2CCC[C@@H]2C(=O)[O-])cnn1CCC#N	ZINC001599976791	970745346	/nfs/dbraw/zinc/74/53/46/970745346.db2.gz	MBXNJEKGNVLIEK-LLVKDONJSA-N	-1	0	276.296	0.794	20	30		CCEDRM
CN(Cc1ccc(C#N)cc1)C(=O)[C@@H]1CC(C(=O)[O-])=NO1	ZINC001604187365	972614518	/nfs/dbraw/zinc/61/45/18/972614518.db2.gz	PGALYQXTONUPNR-LBPRGKRZSA-N	-1	0	287.275	0.746	20	30		CCEDRM
CN(Cc1ccc(C#N)cc1)C(=O)C(=O)NCCC(=O)[O-]	ZINC001604187476	972615816	/nfs/dbraw/zinc/61/58/16/972615816.db2.gz	ZTJHAXJDASQXRY-UHFFFAOYSA-N	-1	0	289.291	0.108	20	30		CCEDRM
C=CCNC(=O)CNC(=O)[C@H]1CCCC[C@H]1C(=O)[O-]	ZINC000393823999	972647004	/nfs/dbraw/zinc/64/70/04/972647004.db2.gz	LPDXHMBWPCLZNW-VHSXEESVSA-N	-1	0	268.313	0.296	20	30		CCEDRM
CC1(C)C[C@]1(C#N)NC(=O)[C@@H]1CC(C(=O)[O-])=NO1	ZINC001603322062	972647922	/nfs/dbraw/zinc/64/79/22/972647922.db2.gz	GDZRAAXGNQSBDP-WRWORJQWSA-N	-1	0	251.242	0.024	20	30		CCEDRM
Cc1ccc(CNC(=O)[C@H]2CC(C(=O)[O-])=NO2)cc1C#N	ZINC001605273328	973059929	/nfs/dbraw/zinc/05/99/29/973059929.db2.gz	BFEONSNTWXYHCI-GFCCVEGCSA-N	-1	0	287.275	0.712	20	30		CCEDRM
CO[C@](C)(C(=O)[O-])C(=O)Nc1nc2cc(C#N)ccc2[nH]1	ZINC001604461356	973304139	/nfs/dbraw/zinc/30/41/39/973304139.db2.gz	IIRFMFLPYIKURY-ZDUSSCGKSA-N	-1	0	288.263	0.863	20	30		CCEDRM
Cc1cc(C)c(C#N)c(N2C[C@@H](O)C[C@H](C(=O)[O-])C2)n1	ZINC000401879127	973486968	/nfs/dbraw/zinc/48/69/68/973486968.db2.gz	HANJLMFOPPLSNK-QWRGUYRKSA-N	-1	0	275.308	0.842	20	30		CCEDRM
Cc1nnc(CN(C)C(=O)[C@@](C)(C#N)CC(=O)[O-])o1	ZINC001605440475	973493414	/nfs/dbraw/zinc/49/34/14/973493414.db2.gz	HJWASBVXGBQHHW-LLVKDONJSA-N	-1	0	266.257	0.341	20	30		CCEDRM
Cn1nc(C(=O)[O-])cc1CN(CCC#N)CCC#N	ZINC001605540022	973742326	/nfs/dbraw/zinc/74/23/26/973742326.db2.gz	HHMJRUIJLLVFLM-UHFFFAOYSA-N	-1	0	261.285	0.748	20	30		CCEDRM
Cc1nc(C#N)cc(NC[C@@H](CC2CC2)C(=O)[O-])n1	ZINC000405237081	973796758	/nfs/dbraw/zinc/79/67/58/973796758.db2.gz	FFZNBPRHDNSANL-SNVBAGLBSA-N	-1	0	260.297	0.991	20	30		CCEDRM
N#CC1(NC(=O)[C@@H]2CC(C(=O)[O-])=NO2)CCSCC1	ZINC001605583184	973870457	/nfs/dbraw/zinc/87/04/57/973870457.db2.gz	MPEPOPLXUANGBS-QMMMGPOBSA-N	-1	0	283.309	0.121	20	30		CCEDRM
N#C[C@H]1CN(C(=O)CCCCC(=O)[O-])CCN1C1CC1	ZINC001605583395	973873443	/nfs/dbraw/zinc/87/34/43/973873443.db2.gz	SPDVNECHXWBYCX-LBPRGKRZSA-N	-1	0	279.340	0.830	20	30		CCEDRM
N#CC1(NC(=O)[C@H]2CO[C@@H](CCC(=O)[O-])C2)CCOCC1	ZINC001605583648	973874794	/nfs/dbraw/zinc/87/47/94/973874794.db2.gz	XMZVRKUVPCPUPL-MNOVXSKESA-N	-1	0	296.323	0.445	20	30		CCEDRM
N#Cc1csc(CNc2cnn(CC(=O)[O-])c2)n1	ZINC001605625997	973951851	/nfs/dbraw/zinc/95/18/51/973951851.db2.gz	FPUHMHPNYJLJFY-UHFFFAOYSA-N	-1	0	263.282	0.908	20	30		CCEDRM
CCC[C@H](C)[C@H](CO)NC(=O)[C@@](C)(C#N)CC(=O)[O-]	ZINC001603632867	973954998	/nfs/dbraw/zinc/95/49/98/973954998.db2.gz	NGAFMQVFWPTESE-OUJBWJOFSA-N	-1	0	270.329	0.904	20	30		CCEDRM
CCCN(CC(=O)[O-])C(=O)[C@]1(C#N)CCCOC1	ZINC001603660656	974033111	/nfs/dbraw/zinc/03/31/11/974033111.db2.gz	SLDDQBGTLWKLFQ-LBPRGKRZSA-N	-1	0	254.286	0.630	20	30		CCEDRM
CCc1nc([C@@H](C)OC(=O)[C@@](C)(C#N)CC(=O)[O-])n[nH]1	ZINC001603980828	974478632	/nfs/dbraw/zinc/47/86/32/974478632.db2.gz	QVFVDRKSYDILJW-JMCQJSRRSA-N	-1	0	280.284	0.976	20	30		CCEDRM
C[C@H](CC#N)C(=O)N[C@@H](C(=O)[O-])c1ccnn1C	ZINC001592210241	977253334	/nfs/dbraw/zinc/25/33/34/977253334.db2.gz	BTTGSPKGSPYBCC-VXNVDRBHSA-N	-1	0	250.258	0.212	20	30		CCEDRM
C[C@H](/C=C\C(=O)[O-])NS(=O)(=O)c1cncc(C#N)c1	ZINC001592211782	977263980	/nfs/dbraw/zinc/26/39/80/977263980.db2.gz	MWGASXXLDIDORV-YAJNLLPGSA-N	-1	0	281.293	0.261	20	30		CCEDRM
C[C@@H](CS(=O)(=O)N([C@@H](C)C#N)C1CC1)C(=O)[O-]	ZINC001592788595	979428922	/nfs/dbraw/zinc/42/89/22/979428922.db2.gz	SLXOPBLFNRXSER-YUMQZZPRSA-N	-1	0	260.315	0.413	20	30		CCEDRM
C[C@H](CS(=O)(=O)N1CCC[C@H](CC#N)C1)C(=O)[O-]	ZINC001592799765	979454309	/nfs/dbraw/zinc/45/43/09/979454309.db2.gz	ZNJKFSWBGXSOCS-NXEZZACHSA-N	-1	0	274.342	0.663	20	30		CCEDRM
CC[C@](O)(CN(CC#N)CC(=O)[O-])C(F)(F)F	ZINC001595325728	980534167	/nfs/dbraw/zinc/53/41/67/980534167.db2.gz	BUSIJHCYAUXMDP-QMMMGPOBSA-N	-1	0	254.208	0.600	20	30		CCEDRM
CC[C@H](C(=O)[O-])C(=O)OCC(=O)N[C@@](C)(C#N)C1CC1	ZINC001594766123	981720460	/nfs/dbraw/zinc/72/04/60/981720460.db2.gz	TZPRDMILALHZDS-RNCFNFMXSA-N	-1	0	282.296	0.449	20	30		CCEDRM
CC[C@@](C)(C#N)NC(=O)[C@H]1C[C@@H](C)[C@H](C(=O)[O-])O1	ZINC001594778585	981778696	/nfs/dbraw/zinc/77/86/96/981778696.db2.gz	WJFQITYHPDAACI-HNBLOZHYSA-N	-1	0	254.286	0.673	20	30		CCEDRM
CCCC[C@@H](ON=C(C)C)C(=O)NC[C@H](O)C(=O)[O-]	ZINC001595652373	982033650	/nfs/dbraw/zinc/03/36/50/982033650.db2.gz	SVQBOHAQEDFDMI-VHSXEESVSA-N	-1	0	274.317	0.519	20	30		CCEDRM
CC[C@@H](C)N(CC(=O)[O-])CC(=O)NC1(C#N)CCC1	ZINC001594978545	982761734	/nfs/dbraw/zinc/76/17/34/982761734.db2.gz	RWKMSRSVIAUXAF-SNVBAGLBSA-N	-1	0	267.329	0.734	20	30		CCEDRM
N#C[C@H](CCc1ccccc1)C(=O)N[C@H](CO)C(=O)[O-]	ZINC001574242875	983201769	/nfs/dbraw/zinc/20/17/69/983201769.db2.gz	ZOKNOOJLLOJEQA-NWDGAFQWSA-N	-1	0	276.292	0.321	20	30		CCEDRM
C#C[C@H](C)NS(=O)(=O)c1cc(F)ccc1C(=O)[O-]	ZINC001588368919	983309080	/nfs/dbraw/zinc/30/90/80/983309080.db2.gz	VCAIVRFHRIPHHN-ZETCQYMHSA-N	-1	0	271.269	0.824	20	30		CCEDRM
C#C[C@@H](CC)NC(=O)C(=O)Nc1ccccc1C(=O)[O-]	ZINC001588369294	983312984	/nfs/dbraw/zinc/31/29/84/983312984.db2.gz	HUDSHOOOKPBUHB-VIFPVBQESA-N	-1	0	274.276	0.851	20	30		CCEDRM
C#C[C@H](CC)NS(=O)(=O)[C@H]1CCCC[C@@H]1C(=O)[O-]	ZINC001588369390	983313340	/nfs/dbraw/zinc/31/33/40/983313340.db2.gz	KFWNFRMNTPWGFQ-VWYCJHECSA-N	-1	0	273.354	0.961	20	30		CCEDRM
C#C[C@@H](C)OC(=O)[C@H](CC(=O)[O-])NC(=O)OC(C)(C)C	ZINC001588369758	983316586	/nfs/dbraw/zinc/31/65/86/983316586.db2.gz	VTHYVISVAKOMRB-BDAKNGLRSA-N	-1	0	285.296	0.919	20	30		CCEDRM
C#C[C@H](CO)NC(=O)Nc1cc(C)cc(C(=O)[O-])c1	ZINC001588370854	983322736	/nfs/dbraw/zinc/32/27/36/983322736.db2.gz	PCNKPPHQDGRCFJ-SNVBAGLBSA-N	-1	0	262.265	0.809	20	30		CCEDRM
C#C[C@@H](CO)NC(=O)c1cc(C(=O)[O-])ccc1Cl	ZINC001588371064	983324470	/nfs/dbraw/zinc/32/44/70/983324470.db2.gz	VCRVZHCPHYHFNV-QMMMGPOBSA-N	-1	0	267.668	0.762	20	30		CCEDRM
C#C[C@@H](NC(=O)NCCCCC(=O)[O-])C1CCOCC1	ZINC001588372402	983330434	/nfs/dbraw/zinc/33/04/34/983330434.db2.gz	JUXNTUCANKBSKV-GFCCVEGCSA-N	-1	0	282.340	0.969	20	30		CCEDRM
C#C[C@@H](NC(=O)Nc1nn(C)cc1C(=O)[O-])[C@@H]1CCCO1	ZINC001588373407	983338040	/nfs/dbraw/zinc/33/80/40/983338040.db2.gz	FWAWUSWWOWFDFE-ZJUUUORDSA-N	-1	0	292.295	0.421	20	30		CCEDRM
C#CC1(F)CN(C(=O)CCc2ocnc2C(=O)[O-])C1	ZINC001588375742	983347229	/nfs/dbraw/zinc/34/72/29/983347229.db2.gz	HGRBBGOOYKZFON-UHFFFAOYSA-N	-1	0	266.228	0.489	20	30		CCEDRM
C#C[C@H](NS(=O)(=O)c1c[nH]c(C(=O)[O-])c1)[C@@H]1CCCO1	ZINC001588376039	983349487	/nfs/dbraw/zinc/34/94/87/983349487.db2.gz	AQFKVKUWFDMAFS-ONGXEEELSA-N	-1	0	298.320	0.172	20	30		CCEDRM
C#CC1(O)CN(Cc2ccc(O[C@@H](C)C(=O)[O-])cc2)C1	ZINC001588382849	983374947	/nfs/dbraw/zinc/37/49/47/983374947.db2.gz	UVHJRXUZPRKMPR-NSHDSACASA-N	-1	0	275.304	0.718	20	30		CCEDRM
C#C[C@@H]1CCCN(C(=O)CN2CCC[C@H](C(=O)[O-])C2=O)C1	ZINC001588383030	983376573	/nfs/dbraw/zinc/37/65/73/983376573.db2.gz	MRRPQQWCNXNLCO-NEPJUHHUSA-N	-1	0	292.335	0.181	20	30		CCEDRM
C#C[C@H]1COCCN1S(=O)(=O)c1cc(C)c(C(=O)[O-])o1	ZINC001588383533	983381924	/nfs/dbraw/zinc/38/19/24/983381924.db2.gz	CNOXJIRLMBHLEF-VIFPVBQESA-N	-1	0	299.304	0.309	20	30		CCEDRM
C#C[C@H]1COCCN1C(=O)N[C@H]1CC[C@@H](CC(=O)[O-])C1	ZINC001588383542	983382260	/nfs/dbraw/zinc/38/22/60/983382260.db2.gz	CQTYVRQNBAGQJD-WOPDTQHZSA-N	-1	0	280.324	0.673	20	30		CCEDRM
C#C[C@H]1COCCN1C(=O)N[C@@H]1CCC[C@H]1CC(=O)[O-]	ZINC001588384151	983387565	/nfs/dbraw/zinc/38/75/65/983387565.db2.gz	XCMLRVMTRDBFKT-SDDRHHMPSA-N	-1	0	280.324	0.673	20	30		CCEDRM
C#C[C@H]1COCCN1C[C@H]1CC(C(=O)[O-])=C(C)O1	ZINC001588384208	983387632	/nfs/dbraw/zinc/38/76/32/983387632.db2.gz	YYAZWNSLLMNIJH-WDEREUQCSA-N	-1	0	251.282	0.468	20	30		CCEDRM
C#CC[C@@H](CO)NC(=O)NCc1ccccc1CC(=O)[O-]	ZINC001588393153	983396303	/nfs/dbraw/zinc/39/63/03/983396303.db2.gz	CGFGQXZSZLLBBO-ZDUSSCGKSA-N	-1	0	290.319	0.497	20	30		CCEDRM
C#CC[C@@H](CO)NC(=O)N[C@H]1C[C@H]2C[C@@H](C(=O)[O-])C[C@H]21	ZINC001588394799	983403671	/nfs/dbraw/zinc/40/36/71/983403671.db2.gz	PMSWRXCORUINRR-ZIQFBCGOSA-N	-1	0	280.324	0.169	20	30		CCEDRM
C#CC[C@@H](CCOC)NC(=O)c1ccnc(C(=O)[O-])c1	ZINC001588396396	983408374	/nfs/dbraw/zinc/40/83/74/983408374.db2.gz	WDLFQFGNQLWDHT-NSHDSACASA-N	-1	0	276.292	0.938	20	30		CCEDRM
C#CC[C@H](NC(=O)[C@](C)(OC)C(=O)OC(C)(C)C)C(=O)[O-]	ZINC001588398202	983411189	/nfs/dbraw/zinc/41/11/89/983411189.db2.gz	FNFJLFOQZJFQID-XPTSAGLGSA-N	-1	0	299.323	0.326	20	30		CCEDRM
C#CC[C@H](NC(=O)CCC(C)(C)[N+](=O)[O-])C(=O)[O-]	ZINC001588405300	983420813	/nfs/dbraw/zinc/42/08/13/983420813.db2.gz	FNWVJTQFYAUPES-QMMMGPOBSA-N	-1	0	256.258	0.415	20	30		CCEDRM
C#CC[C@@H](NC(=O)CNC(=O)C1CCCCC1)C(=O)[O-]	ZINC001588405407	983421421	/nfs/dbraw/zinc/42/14/21/983421421.db2.gz	NJJDWSNYOGQRJC-LLVKDONJSA-N	-1	0	280.324	0.276	20	30		CCEDRM
C#CC[C@H](NC(=O)Cc1ccc(C=O)cc1)C(=O)[O-]	ZINC001588406969	983426671	/nfs/dbraw/zinc/42/66/71/983426671.db2.gz	CBIKMSCMIXNMRQ-LBPRGKRZSA-N	-1	0	259.261	0.634	20	30		CCEDRM
C#CC[C@@H](NC(=O)[C@@H]1C[C@H]1c1cnn(C)c1)C(=O)[O-]	ZINC001588407000	983426916	/nfs/dbraw/zinc/42/69/16/983426916.db2.gz	DGYVGAJDEIYMJI-HBNTYKKESA-N	-1	0	261.281	0.116	20	30		CCEDRM
C#CC[C@@H](NC(=O)c1c(CC)ncnc1CC)C(=O)[O-]	ZINC001588413642	983431727	/nfs/dbraw/zinc/43/17/27/983431727.db2.gz	DUDNYUZPXCCNMG-LLVKDONJSA-N	-1	0	275.308	0.808	20	30		CCEDRM
C#CC[C@@H](NC(=O)c1c(C)[nH]c(C(=O)[O-])c1C)C(=O)OC	ZINC001588413723	983432207	/nfs/dbraw/zinc/43/22/07/983432207.db2.gz	GXMLTAMSQBEUEI-SECBINFHSA-N	-1	0	292.291	0.624	20	30		CCEDRM
C#CC[C@@H](NC(=O)c1[nH]nc(CCC)c1[N+](=O)[O-])C(=O)[O-]	ZINC001588422440	983446347	/nfs/dbraw/zinc/44/63/47/983446347.db2.gz	YHLXAKSNCJZNMP-MRVPVSSYSA-N	-1	0	294.267	0.477	20	30		CCEDRM
C#CC[C@H](NS(=O)(=O)c1ccc(C#C)cc1)C(=O)[O-]	ZINC001588423309	983452104	/nfs/dbraw/zinc/45/21/04/983452104.db2.gz	CPFFTOIXGRELTI-LBPRGKRZSA-N	-1	0	277.301	0.423	20	30		CCEDRM
C#CC[C@@H](NS(=O)(=O)c1ccc(C#C)cc1)C(=O)[O-]	ZINC001588423308	983452118	/nfs/dbraw/zinc/45/21/18/983452118.db2.gz	CPFFTOIXGRELTI-GFCCVEGCSA-N	-1	0	277.301	0.423	20	30		CCEDRM
C#CC[C@H](NS(=O)(=O)c1ccccc1COC)C(=O)[O-]	ZINC001588428225	983460460	/nfs/dbraw/zinc/46/04/60/983460460.db2.gz	GJHRNHJVHXTNDE-NSHDSACASA-N	-1	0	297.332	0.588	20	30		CCEDRM
C#CC[C@H]1CCCN(S(=O)(=O)c2cc(C(=O)[O-])no2)C1	ZINC001588433767	983468542	/nfs/dbraw/zinc/46/85/42/983468542.db2.gz	CJOJIXXMEGYONS-VIFPVBQESA-N	-1	0	298.320	0.797	20	30		CCEDRM
C#CCCOC(=O)N1C[C@@H](C(=O)OC)CC[C@@H]1C(=O)[O-]	ZINC001588455492	983479941	/nfs/dbraw/zinc/47/99/41/983479941.db2.gz	NXNLMRAPTOINDZ-VHSXEESVSA-N	-1	0	283.280	0.485	20	30		CCEDRM
C#CCN(C(=O)[C@H]1C[C@@H]1C(=O)[O-])C1CCN(CCF)CC1	ZINC001588459602	983484883	/nfs/dbraw/zinc/48/48/83/983484883.db2.gz	DMVNRCKVQKQDOV-STQMWFEESA-N	-1	0	296.342	0.603	20	30		CCEDRM
C#CCN(C)C(=O)C(=O)Nc1ccccc1C(=O)[O-]	ZINC001588461301	983489321	/nfs/dbraw/zinc/48/93/21/983489321.db2.gz	LIMPYJAPGWYIKG-UHFFFAOYSA-N	-1	0	260.249	0.415	20	30		CCEDRM
C#CCN(CC(=O)OC(C)(C)C)C(=O)[C@H]1C[C@H]1C(=O)[O-]	ZINC001588465882	983497051	/nfs/dbraw/zinc/49/70/51/983497051.db2.gz	LQTGMBRUYDBLCD-VHSXEESVSA-N	-1	0	281.308	0.511	20	30		CCEDRM
C#CCN(CC)C(=O)C(=O)Nc1ccc(C(=O)[O-])cc1	ZINC001588468082	983500422	/nfs/dbraw/zinc/50/04/22/983500422.db2.gz	NXHSAWDXIPXYBQ-UHFFFAOYSA-N	-1	0	274.276	0.805	20	30		CCEDRM
C#CCN(C/C(C)=C/C(=O)[O-])[C@H]1CCS(=O)(=O)C1	ZINC001588468564	983501304	/nfs/dbraw/zinc/50/13/04/983501304.db2.gz	ZDQUCPMFIISRSV-HUYFXPKMSA-N	-1	0	271.338	0.140	20	30		CCEDRM
C#CCNC(=O)Nc1cccc(-n2cc(C(=O)[O-])nn2)c1	ZINC001588485200	983524654	/nfs/dbraw/zinc/52/46/54/983524654.db2.gz	ICFGZXOBZNXPFA-UHFFFAOYSA-N	-1	0	285.263	0.720	20	30		CCEDRM
C#CCOCCC(=O)Nc1cnn(C(C)(C)C(=O)[O-])c1	ZINC001588490211	983531255	/nfs/dbraw/zinc/53/12/55/983531255.db2.gz	VSUAVXFTVDBZQH-UHFFFAOYSA-N	-1	0	279.296	0.681	20	30		CCEDRM
C#CCOCCC(=O)NCc1cc(C(=O)[O-])c(C)n1C	ZINC001588490218	983531405	/nfs/dbraw/zinc/53/14/05/983531405.db2.gz	VXYHLHVLAUZSQS-UHFFFAOYSA-N	-1	0	278.308	0.688	20	30		CCEDRM
C#CCO[C@H](C)C(=O)Nc1nc(C(=O)[O-])ns1	ZINC001588490621	983533343	/nfs/dbraw/zinc/53/33/43/983533343.db2.gz	ROYNLNWOBWMZTJ-RXMQYKEDSA-N	-1	0	255.255	0.213	20	30		CCEDRM
C#CCSCCNC(=O)Cn1cccc(C(=O)[O-])c1=O	ZINC001588506522	983551823	/nfs/dbraw/zinc/55/18/23/983551823.db2.gz	VCUBHUVQEVLBDG-UHFFFAOYSA-N	-1	0	294.332	0.029	20	30		CCEDRM
CCN(C)C(=O)CNc1ccc(C(=O)[O-])nc1C#N	ZINC001596182838	983554205	/nfs/dbraw/zinc/55/42/05/983554205.db2.gz	RYVWYWLOPVJQRC-UHFFFAOYSA-N	-1	0	262.269	0.542	20	30		CCEDRM
C#Cc1ccc(C(=O)N2CCC[C@@H](O)[C@H]2C(=O)[O-])nc1	ZINC001588510391	983555487	/nfs/dbraw/zinc/55/54/87/983555487.db2.gz	CAICSFMIUGVBDZ-NEPJUHHUSA-N	-1	0	274.276	0.113	20	30		CCEDRM
C#Cc1ccc(C(=O)N2C[C@@H](C)O[C@H](C(=O)[O-])C2)cn1	ZINC001588511069	983558322	/nfs/dbraw/zinc/55/83/22/983558322.db2.gz	PPLXHIGEEFWYEU-SKDRFNHKSA-N	-1	0	274.276	0.377	20	30		CCEDRM
C#Cc1ccc(C(=O)N[C@@]2(C(=O)[O-])C[C@@H](O)C2)cc1	ZINC001588516194	983560441	/nfs/dbraw/zinc/56/04/41/983560441.db2.gz	CUQKQOHUHXVYRJ-VDISTLRHSA-N	-1	0	259.261	0.376	20	30		CCEDRM
C#Cc1cncc(C(=O)N(C)[C@H](COCC)C(=O)[O-])c1	ZINC001588528879	983578572	/nfs/dbraw/zinc/57/85/72/983578572.db2.gz	KRVOHYKYAHVFHK-GFCCVEGCSA-N	-1	0	276.292	0.625	20	30		CCEDRM
C#Cc1cnc(N2CC[C@]3(CC(C(=O)[O-])=NO3)C2)nc1	ZINC001588529203	983580359	/nfs/dbraw/zinc/58/03/59/983580359.db2.gz	SJQOCAFLUOPMKB-ZDUSSCGKSA-N	-1	0	272.264	0.268	20	30		CCEDRM
C=C(Br)CN1CCC[C@H](O)[C@@H]1C(=O)[O-]	ZINC001588529361	983581027	/nfs/dbraw/zinc/58/10/27/983581027.db2.gz	XFIDYEWBUBGSBE-JGVFFNPUSA-N	-1	0	264.119	0.805	20	30		CCEDRM
C=C(C)C(C)(C)C(=O)NCCCNC(=O)[C@H]1C[C@@H]1C(=O)[O-]	ZINC001588530004	983583054	/nfs/dbraw/zinc/58/30/54/983583054.db2.gz	OULKGNXLJLTWDN-QWRGUYRKSA-N	-1	0	296.367	0.932	20	30		CCEDRM
CCN(CC#N)C(=O)CC[C@@H]1C[C@H](C(=O)[O-])CO1	ZINC001596200329	983585229	/nfs/dbraw/zinc/58/52/29/983585229.db2.gz	VFXSGDPZIBWYSP-VHSXEESVSA-N	-1	0	254.286	0.628	20	30		CCEDRM
C=C(C)C[C@@H](NC(=O)[C@H]1CC(=O)N(CCC)C1)C(=O)[O-]	ZINC001588537088	983597608	/nfs/dbraw/zinc/59/76/08/983597608.db2.gz	HYKOGOCSVWLKLG-WDEREUQCSA-N	-1	0	282.340	0.781	20	30		CCEDRM
C=C(C)C[C@H](NC(=O)[C@H](C)n1ccnc1)C(=O)[O-]	ZINC001588537785	983602172	/nfs/dbraw/zinc/60/21/72/983602172.db2.gz	YDSHIAOREWOIBQ-UWVGGRQHSA-N	-1	0	251.286	0.980	20	30		CCEDRM
C=C(C)C[C@H](NC(=O)c1cc(OC)ncn1)C(=O)[O-]	ZINC001588546328	983615039	/nfs/dbraw/zinc/61/50/39/983615039.db2.gz	GZLJFSJIELXGEZ-VIFPVBQESA-N	-1	0	265.269	0.634	20	30		CCEDRM
C=C(C)C[C@H](NC(C)=O)C(=O)OCC(=O)C(C)(C)C(=O)[O-]	ZINC001588547535	983620906	/nfs/dbraw/zinc/62/09/06/983620906.db2.gz	KYKNDRXIHCKFLZ-JTQLQIEISA-N	-1	0	299.323	0.680	20	30		CCEDRM
C=C(C)C[C@H](NC(=O)c1cnc2[nH]c(=O)[nH]c2c1)C(=O)[O-]	ZINC001588547685	983621159	/nfs/dbraw/zinc/62/11/59/983621159.db2.gz	GCCUFDITEIFZIQ-VIFPVBQESA-N	-1	0	290.279	0.813	20	30		CCEDRM
C=C(C)C[C@H](NC(C)=O)C(=O)N1CC[C@@H]1C(=O)[O-]	ZINC001588548037	983622792	/nfs/dbraw/zinc/62/27/92/983622792.db2.gz	PWIZZMCTEYPINO-VHSXEESVSA-N	-1	0	254.286	0.143	20	30		CCEDRM
C=C(C)C[C@@H](NC(=O)c1cnn2c1NCCC2)C(=O)[O-]	ZINC001588548180	983623067	/nfs/dbraw/zinc/62/30/67/983623067.db2.gz	MOHKZSJYJDRWRS-SNVBAGLBSA-N	-1	0	278.312	0.848	20	30		CCEDRM
C=C(C)CN(CC)C(=O)Cn1cnc(C(=O)[O-])cc1=O	ZINC001588562917	983644274	/nfs/dbraw/zinc/64/42/74/983644274.db2.gz	LIFCEHIEPBNBMN-UHFFFAOYSA-N	-1	0	279.296	0.366	20	30		CCEDRM
C=C(C)CS(=O)(=O)N[C@H]1C[C@H]2C[C@H](C(=O)[O-])C[C@H]21	ZINC001588577310	983656176	/nfs/dbraw/zinc/65/61/76/983656176.db2.gz	RLFZURQOQFBTKE-YTWAJWBKSA-N	-1	0	273.354	0.981	20	30		CCEDRM
C=C(CCC(=O)[O-])C(=O)N(C)[C@H]1CCCCN(C)C1=O	ZINC001588606882	983698953	/nfs/dbraw/zinc/69/89/53/983698953.db2.gz	LBVRPHZSGLLBFD-NSHDSACASA-N	-1	0	282.340	0.877	20	30		CCEDRM
C=C(CCC(=O)[O-])C(=O)N[C@@H](C)/C=C/C(=O)OC	ZINC001588618931	983713813	/nfs/dbraw/zinc/71/38/13/983713813.db2.gz	FPNATLFJROCCAB-IWGCBNPKSA-N	-1	0	255.270	0.641	20	30		CCEDRM
C=C(CCC(=O)[O-])C(=O)N[C@@H](C)C(=O)N[C@@H](C)CC	ZINC001588619057	983714574	/nfs/dbraw/zinc/71/45/74/983714574.db2.gz	JMZUMVRDTDWDAK-UWVGGRQHSA-N	-1	0	270.329	0.827	20	30		CCEDRM
C=C(CCC(=O)[O-])C(=O)N1CC[S@@](=O)C[C@@H](C)C1	ZINC001588619521	983717203	/nfs/dbraw/zinc/71/72/03/983717203.db2.gz	WOETZBZIUXMIJO-NIVTXAMTSA-N	-1	0	273.354	0.634	20	30		CCEDRM
C=C(CCC(=O)[O-])C(=O)N[C@@H]1C[C@H](C)n2ncnc21	ZINC001588621955	983721358	/nfs/dbraw/zinc/72/13/58/983721358.db2.gz	MRUYRXSNWGJGGF-DTWKUNHWSA-N	-1	0	264.285	0.821	20	30		CCEDRM
C=C(CCC(=O)[O-])C(=O)N[C@@]1(C)CCS(=O)(=O)C1	ZINC001588622105	983721862	/nfs/dbraw/zinc/72/18/62/983721862.db2.gz	OSZVCSWYSMOWTL-NSHDSACASA-N	-1	0	275.326	0.101	20	30		CCEDRM
C=C(CCC(=O)[O-])C(=O)N[C@@H]1CCc2c(nnn2C)C1	ZINC001588623330	983727529	/nfs/dbraw/zinc/72/75/29/983727529.db2.gz	ORGWPRGVWMCTCB-SECBINFHSA-N	-1	0	278.312	0.210	20	30		CCEDRM
C=C(CCC(=O)[O-])C(=O)NC[C@@H]1CC[C@@H](C(=O)N(C)C)O1	ZINC001588624509	983732682	/nfs/dbraw/zinc/73/26/82/983732682.db2.gz	LDQLQYDCGQUPDY-QWRGUYRKSA-N	-1	0	298.339	0.159	20	30		CCEDRM
C=C(CCC(=O)[O-])C(=O)NCCc1cncn1C	ZINC001588624890	983735649	/nfs/dbraw/zinc/73/56/49/983735649.db2.gz	ZQRAUTXEDLQWDS-UHFFFAOYSA-N	-1	0	251.286	0.500	20	30		CCEDRM
C=C(CCC(=O)[O-])C(=O)NCc1coc(CN(C)C)n1	ZINC001588630382	983743448	/nfs/dbraw/zinc/74/34/48/983743448.db2.gz	YSSAQGIHCUWPID-UHFFFAOYSA-N	-1	0	281.312	0.773	20	30		CCEDRM
C=C(CCC(=O)OC)C(=O)N1CCO[C@@H](CC(=O)[O-])C1	ZINC001588632864	983746634	/nfs/dbraw/zinc/74/66/34/983746634.db2.gz	CVFCLCAYMAPHJU-JTQLQIEISA-N	-1	0	285.296	0.198	20	30		CCEDRM
C=C(CCC(=O)OC)C(=O)N[C@H](C)/C=C/C(=O)[O-]	ZINC001588632842	983746647	/nfs/dbraw/zinc/74/66/47/983746647.db2.gz	BXBLPYNUOAYRGL-VUHVRTRXSA-N	-1	0	255.270	0.641	20	30		CCEDRM
C=C(CO)C(=O)N1C[C@@H](C(=O)[O-])[C@@H](c2ccccc2)C1	ZINC001588637012	983758051	/nfs/dbraw/zinc/75/80/51/983758051.db2.gz	CGOBNUQTSHDQFG-CHWSQXEVSA-N	-1	0	275.304	0.862	20	30		CCEDRM
C=C[C@@H](C(=O)[O-])[N@@H+]1CCC[C@H](c2n[nH]c(=O)[n-]2)C1	ZINC001588662827	983791969	/nfs/dbraw/zinc/79/19/69/983791969.db2.gz	HWLVWQYTTZWAFZ-YUMQZZPRSA-N	-1	0	252.274	0.329	20	30		CCEDRM
C=C[C@@H](C(=O)OC)n1cc(C[C@@H](CC)C(=O)[O-])nn1	ZINC001588672590	983826216	/nfs/dbraw/zinc/82/62/16/983826216.db2.gz	WNAAWYIIXZVBBD-SCZZXKLOSA-N	-1	0	267.285	0.832	20	30		CCEDRM
C=C[C@@H](C)ONC(=O)CC[C@@H]1C[C@H](C(=O)[O-])CO1	ZINC001588686808	983867129	/nfs/dbraw/zinc/86/71/29/983867129.db2.gz	FYXPGEOIAQGKDR-KXUCPTDWSA-N	-1	0	257.286	0.879	20	30		CCEDRM
C=C[C@H](COC)NC(=O)CC[C@@H]1C[C@H](C(=O)[O-])CO1	ZINC001588692770	983886518	/nfs/dbraw/zinc/88/65/18/983886518.db2.gz	JOYFSBYGZIVFDG-HBNTYKKESA-N	-1	0	271.313	0.574	20	30		CCEDRM
C=C[C@H](N[C@H](Cc1cncs1)C(=O)OC)C(=O)[O-]	ZINC001588696154	983902426	/nfs/dbraw/zinc/90/24/26/983902426.db2.gz	MCSHHVOUVFHLHT-DTWKUNHWSA-N	-1	0	270.310	0.456	20	30		CCEDRM
C=C[C@@H](N[C@H]1Cc2ccccc2N(C)C1=O)C(=O)[O-]	ZINC001588696408	983903117	/nfs/dbraw/zinc/90/31/17/983903117.db2.gz	NOYKNAGUOBGVIU-MNOVXSKESA-N	-1	0	260.293	0.803	20	30		CCEDRM
C=C[C@@H](O)C(=O)Nc1nnc(CCCC(=O)[O-])s1	ZINC001588705880	983928921	/nfs/dbraw/zinc/92/89/21/983928921.db2.gz	RAVFXPKKGPAECY-ZCFIWIBFSA-N	-1	0	271.298	0.431	20	30		CCEDRM
C=C[C@@H](OC(=O)CN(C)[C@@H]1CCSC1)C(=O)[O-]	ZINC001588710703	983933688	/nfs/dbraw/zinc/93/36/88/983933688.db2.gz	HVXILGFQVFKXJS-RKDXNWHRSA-N	-1	0	259.327	0.606	20	30		CCEDRM
C=C[C@@H](OC(=O)[C@@H]1CC[C@H](C(=O)OC)C1)C(=O)[O-]	ZINC001588710694	983933830	/nfs/dbraw/zinc/93/38/30/983933830.db2.gz	HNLHCTBKPABXKQ-DJLDLDEBSA-N	-1	0	256.254	0.758	20	30		CCEDRM
C=C[C@@H](OC(=O)[C@H]1CC12CCS(=O)(=O)CC2)C(=O)[O-]	ZINC001588711777	983939907	/nfs/dbraw/zinc/93/99/07/983939907.db2.gz	RDWWQJACYHIBKF-RKDXNWHRSA-N	-1	0	288.321	0.384	20	30		CCEDRM
C=C[C@H](OC(=O)[C@H]1CC12CCS(=O)(=O)CC2)C(=O)[O-]	ZINC001588711772	983940026	/nfs/dbraw/zinc/94/00/26/983940026.db2.gz	RDWWQJACYHIBKF-BDAKNGLRSA-N	-1	0	288.321	0.384	20	30		CCEDRM
C=C[C@H](OC(=O)c1nccnc1SC)C(=O)[O-]	ZINC001588712031	983940941	/nfs/dbraw/zinc/94/09/41/983940941.db2.gz	FWMLCOFCTZLZBH-LURJTMIESA-N	-1	0	254.267	0.995	20	30		CCEDRM
C=C[C@H](OC(=O)c1csc(S(C)(=O)=O)c1)C(=O)[O-]	ZINC001588713380	983948806	/nfs/dbraw/zinc/94/88/06/983948806.db2.gz	VTMPAABDJRLSCZ-ZETCQYMHSA-N	-1	0	290.318	0.948	20	30		CCEDRM
C=CC[C@@H](CO)NC(=O)Nc1c(C(=O)[O-])cnn1C	ZINC001588744631	984044600	/nfs/dbraw/zinc/04/46/00/984044600.db2.gz	POFVCIRQYSRVIU-ZETCQYMHSA-N	-1	0	268.273	0.177	20	30		CCEDRM
C=CC[C@@H](OC(=O)[C@]1(C)CCC(=O)NC1)C(=O)[O-]	ZINC001588752113	984079482	/nfs/dbraw/zinc/07/94/82/984079482.db2.gz	UNKPWNGUWPQLGL-PRHODGIISA-N	-1	0	255.270	0.475	20	30		CCEDRM
C=CC[C@@H](OC(=O)C[C@H]1CCC(=O)NC1)C(=O)[O-]	ZINC001588753484	984086152	/nfs/dbraw/zinc/08/61/52/984086152.db2.gz	IEEKNWMXLLOWRJ-RKDXNWHRSA-N	-1	0	255.270	0.475	20	30		CCEDRM
C=CC[C@H](OC(=O)Cn1c(C)cc(O)cc1=O)C(=O)[O-]	ZINC001588754015	984091034	/nfs/dbraw/zinc/09/10/34/984091034.db2.gz	RIEHNYMORQDDGZ-JTQLQIEISA-N	-1	0	281.264	0.435	20	30		CCEDRM
C=CC[C@@H](OC(=O)[C@@H]1CC[C@@H]1C(=O)[O-])C(=O)OC	ZINC001588756244	984097301	/nfs/dbraw/zinc/09/73/01/984097301.db2.gz	IYJHYWRBOCINGA-DJLDLDEBSA-N	-1	0	256.254	0.758	20	30		CCEDRM
C=CC[C@H](Sc1nnc(CCC(N)=O)n1C)C(=O)[O-]	ZINC001588761898	984114166	/nfs/dbraw/zinc/11/41/66/984114166.db2.gz	CXICMCRZRUTXCD-ZETCQYMHSA-N	-1	0	284.341	0.354	20	30		CCEDRM
C=CCC1(C(=O)N[C@@H](Cn2cncn2)C(=O)[O-])CCCC1	ZINC001588763653	984120187	/nfs/dbraw/zinc/12/01/87/984120187.db2.gz	VIVSZOVKQJASAN-NSHDSACASA-N	-1	0	292.339	0.984	20	30		CCEDRM
C=CCC1(O)CCN(C(=O)c2cnc(C(=O)[O-])cn2)CC1	ZINC001588769300	984132809	/nfs/dbraw/zinc/13/28/09/984132809.db2.gz	RJOUJSXLANCZDF-UHFFFAOYSA-N	-1	0	291.307	0.718	20	30		CCEDRM
C=CCC[C@@H](CO)NC(=O)c1csc(C(=O)[O-])n1	ZINC001588778093	984159262	/nfs/dbraw/zinc/15/92/62/984159262.db2.gz	SIVKAHIYLALULA-ZETCQYMHSA-N	-1	0	270.310	0.898	20	30		CCEDRM
C=CCCC[C@H](NC(=O)[C@@H](C)CS(C)(=O)=O)C(=O)[O-]	ZINC001588787705	984187622	/nfs/dbraw/zinc/18/76/22/984187622.db2.gz	XXUDSNDJCFFHLB-UWVGGRQHSA-N	-1	0	291.369	0.593	20	30		CCEDRM
C=CCCC[C@H](NC(=O)/C=C/Cn1cncn1)C(=O)[O-]	ZINC001588790073	984203420	/nfs/dbraw/zinc/20/34/20/984203420.db2.gz	PMLPVGQBMSMYNS-ZRQQLDRUSA-N	-1	0	278.312	0.760	20	30		CCEDRM
C=CCCn1cc(CN2CC(C)(C(=O)[O-])C2)nn1	ZINC001588820230	984283037	/nfs/dbraw/zinc/28/30/37/984283037.db2.gz	WXQDNFFVZRPKSY-UHFFFAOYSA-N	-1	0	250.302	0.761	20	30		CCEDRM
C=CCN1CCN(C[N@H+]2CCSC[C@H](C(=O)[O-])C2)C1=O	ZINC001588838699	984340048	/nfs/dbraw/zinc/34/00/48/984340048.db2.gz	HYCULRAXUSSHCC-LLVKDONJSA-N	-1	0	299.396	0.617	20	30		CCEDRM
C=CCOC[C@H](NC(=O)COCc1ncc(C)o1)C(=O)[O-]	ZINC001588853914	984387201	/nfs/dbraw/zinc/38/72/01/984387201.db2.gz	LHNGHSAEQVFLNX-JTQLQIEISA-N	-1	0	298.295	0.272	20	30		CCEDRM
C=CCOC[C@H](NC(=O)[C@H]1CCCCN1C(C)=O)C(=O)[O-]	ZINC001588856117	984397374	/nfs/dbraw/zinc/39/73/74/984397374.db2.gz	VGOOFIAXFKHKEN-NWDGAFQWSA-N	-1	0	298.339	0.159	20	30		CCEDRM
C=CCOC[C@@H](NC(=O)CSCC#N)C(=O)[O-]	ZINC001588856246	984398565	/nfs/dbraw/zinc/39/85/65/984398565.db2.gz	DYBMIBITDLVJMM-MRVPVSSYSA-N	-1	0	258.299	0.015	20	30		CCEDRM
C=CCOC[C@@H](NC(=O)c1nnc(CC)s1)C(=O)[O-]	ZINC001588859907	984409063	/nfs/dbraw/zinc/40/90/63/984409063.db2.gz	AXJJXGRZSRFODO-SSDOTTSWSA-N	-1	0	285.325	0.486	20	30		CCEDRM
C=CCOC[C@@H](NC(=O)c1cnc(Cl)n1C)C(=O)[O-]	ZINC001588860493	984413643	/nfs/dbraw/zinc/41/36/43/984413643.db2.gz	WDZVAIBXONIIMV-SSDOTTSWSA-N	-1	0	287.703	0.459	20	30		CCEDRM
C=CCOC[C@@H](NC(=O)c1ccc(Cl)nn1)C(=O)[O-]	ZINC001588862536	984419026	/nfs/dbraw/zinc/41/90/26/984419026.db2.gz	ZPALQDHYHPMHQI-MRVPVSSYSA-N	-1	0	285.687	0.516	20	30		CCEDRM
C=CCOC[C@@H](NCc1ccoc1C(=O)OC)C(=O)[O-]	ZINC001588866063	984422310	/nfs/dbraw/zinc/42/23/10/984422310.db2.gz	INDLWNMJZCMOBV-SNVBAGLBSA-N	-1	0	283.280	0.812	20	30		CCEDRM
C=CCOC[C@@H](NCc1cc(C(=O)[O-])no1)C(=O)OC	ZINC001588866416	984424965	/nfs/dbraw/zinc/42/49/65/984424965.db2.gz	PDDUAHKIIGVBKY-SNVBAGLBSA-N	-1	0	284.268	0.207	20	30		CCEDRM
C=CCOCCCC(=O)O[C@@H]1C[C@@H](C(=O)[O-])N(C)C1	ZINC001588866531	984426243	/nfs/dbraw/zinc/42/62/43/984426243.db2.gz	JOVXIENVGWVRGE-MNOVXSKESA-N	-1	0	271.313	0.670	20	30		CCEDRM
C=CCOCCOC(=O)[C@H]1C[C@@H](C)[C@H](C(=O)[O-])O1	ZINC001588868517	984433297	/nfs/dbraw/zinc/43/32/97/984433297.db2.gz	IVXHUJGUSHALGF-OPRDCNLKSA-N	-1	0	258.270	0.610	20	30		CCEDRM
C=CCONC(=O)c1ccc(OCC(=O)[O-])cc1	ZINC001588868924	984436406	/nfs/dbraw/zinc/43/64/06/984436406.db2.gz	ZMCBNYOHALIMFP-UHFFFAOYSA-N	-1	0	251.238	0.997	20	30		CCEDRM
C=CCOCCCn1nnnc1N1C[C@@H](C)[C@H](C(=O)[O-])C1	ZINC001588869184	984438935	/nfs/dbraw/zinc/43/89/35/984438935.db2.gz	XXOIIWKZZAOMQX-GHMZBOCLSA-N	-1	0	295.343	0.423	20	30		CCEDRM
C=CCn1c([C@H](O)C=C)nnc1N1CC[C@@](F)(C(=O)[O-])C1	ZINC001588897424	984510414	/nfs/dbraw/zinc/51/04/14/984510414.db2.gz	ZAXPDZROYJRSNB-RNCFNFMXSA-N	-1	0	296.302	0.687	20	30		CCEDRM
C=CCN1C(=O)N=NC1SCC(=O)C(C)(C)C(=O)[O-]	ZINC001588907433	984539394	/nfs/dbraw/zinc/53/93/94/984539394.db2.gz	MSUKGXSIWHOODB-UHFFFAOYSA-N	-1	0	285.325	0.942	20	30		CCEDRM
C=CCn1cc(C(=O)OC2CC(C(=O)[O-])C2)nn1	ZINC001588908988	984541353	/nfs/dbraw/zinc/54/13/53/984541353.db2.gz	CVAFVEVHSKQTCJ-UHFFFAOYSA-N	-1	0	251.242	0.484	20	30		CCEDRM
C=C[C@@H]1OCCC[C@H]1NC(=O)c1cc(C(=O)[O-])no1	ZINC001588917095	984565195	/nfs/dbraw/zinc/56/51/95/984565195.db2.gz	ONHXYXBFRNYNHD-APPZFPTMSA-N	-1	0	266.253	0.836	20	30		CCEDRM
C=C[C@H](CO)NC(=O)/C=C\c1cc(C(=O)[O-])co1	ZINC001588919949	984575269	/nfs/dbraw/zinc/57/52/69/984575269.db2.gz	PTAICOWJWDMQDQ-ZBJFTSOASA-N	-1	0	251.238	0.654	20	30		CCEDRM
C=C[C@@H]1OCC[C@H]1NC(=O)c1cc(C(=O)[O-])ccn1	ZINC001588920288	984577054	/nfs/dbraw/zinc/57/70/54/984577054.db2.gz	WMFWXUHBHACPGD-KOLCDFICSA-N	-1	0	262.265	0.853	20	30		CCEDRM
CC#CCCCC(=O)N[C@@H](CC(=O)OC)C(=O)[O-]	ZINC001588925571	984587515	/nfs/dbraw/zinc/58/75/15/984587515.db2.gz	SKTRECNESBEODC-VIFPVBQESA-N	-1	0	255.270	0.313	20	30		CCEDRM
CC#CCCNC(=O)C(=O)Nc1cc(C(=O)[O-])cs1	ZINC001588926868	984594362	/nfs/dbraw/zinc/59/43/62/984594362.db2.gz	AQHJYNWZYOMIQN-UHFFFAOYSA-N	-1	0	280.305	0.914	20	30		CCEDRM
CC#CCN(C)S(=O)(=O)[C@@H]1CCCC[C@H]1C(=O)[O-]	ZINC001588931514	984603607	/nfs/dbraw/zinc/60/36/07/984603607.db2.gz	YGKCEZXKVQOCOO-GHMZBOCLSA-N	-1	0	273.354	0.915	20	30		CCEDRM
CC#CCNC(=O)C(=O)Nc1ccc(F)c(C(=O)[O-])c1C	ZINC001588931971	984604755	/nfs/dbraw/zinc/60/47/55/984604755.db2.gz	HTOSCOAAZILZAZ-UHFFFAOYSA-N	-1	0	292.266	0.910	20	30		CCEDRM
CC#CCNC(=O)C(=O)Nc1scc(C(=O)[O-])c1C	ZINC001588932297	984606964	/nfs/dbraw/zinc/60/69/64/984606964.db2.gz	QGTRDQAEYWHIKR-UHFFFAOYSA-N	-1	0	280.305	0.833	20	30		CCEDRM
CC#CCNC(=O)C(=O)Nc1ccc(F)c(C(=O)[O-])c1F	ZINC001588932389	984608175	/nfs/dbraw/zinc/60/81/75/984608175.db2.gz	TYXGZIRHPWARBB-UHFFFAOYSA-N	-1	0	296.229	0.741	20	30		CCEDRM
C[C@H](NC(=O)[C@H](C)NC(=O)c1cccc(C#N)c1)C(=O)[O-]	ZINC001599898990	984790073	/nfs/dbraw/zinc/79/00/73/984790073.db2.gz	GCBDAMNVXFWVDJ-IUCAKERBSA-N	-1	0	289.291	0.266	20	30		CCEDRM
C[C@H]1CN(S(=O)(=O)CCCCC#N)C[C@@H](C(=O)[O-])O1	ZINC001599929904	985293279	/nfs/dbraw/zinc/29/32/79/985293279.db2.gz	BKLCPKJKLKHQQD-UWVGGRQHSA-N	-1	0	290.341	0.184	20	30		CCEDRM
CCO[C@@H]1[C@@H](C)[C@@H]1C(=O)N1CCC(C#N)(C(=O)[O-])CC1	ZINC001596797859	985302748	/nfs/dbraw/zinc/30/27/48/985302748.db2.gz	ZIHYMSDCZMFNEF-GARJFASQSA-N	-1	0	280.324	0.874	20	30		CCEDRM
Cc1[nH]c(C#N)cc1C(=O)N1CCOC[C@@H]1C(=O)[O-]	ZINC001599942208	985469049	/nfs/dbraw/zinc/46/90/49/985469049.db2.gz	DNFZKRBXKPMHII-SNVBAGLBSA-N	-1	0	263.253	0.120	20	30		CCEDRM
C[C@@H](C#N)C(=O)N[C@@](C)(Cn1cccn1)C(=O)[O-]	ZINC001589330111	986170283	/nfs/dbraw/zinc/17/02/83/986170283.db2.gz	YNPXVGDHRVJCQZ-KWQFWETISA-N	-1	0	250.258	0.002	20	30		CCEDRM
C[C@@H](C#N)N(CN1C[C@@H](C(=O)[O-])OC1=O)C1CC1	ZINC001589331325	986183970	/nfs/dbraw/zinc/18/39/70/986183970.db2.gz	ATFODDPNKPPNNH-CBAPKCEASA-N	-1	0	253.258	0.226	20	30		CCEDRM
C[C@@H](C#N)N(C1CC1)S(=O)(=O)CC1(CC(=O)[O-])CC1	ZINC001589332136	986198089	/nfs/dbraw/zinc/19/80/89/986198089.db2.gz	YZNNWFTXEJWZTA-VIFPVBQESA-N	-1	0	286.353	0.948	20	30		CCEDRM
C[C@@H](C(=O)N(CC(=O)[O-])c1ccccc1)n1cnc(C#N)n1	ZINC001589341668	986253935	/nfs/dbraw/zinc/25/39/35/986253935.db2.gz	LEAUQUUHJVORIR-JTQLQIEISA-N	-1	0	299.290	0.829	20	30		CCEDRM
CC(C)(C(=O)[O-])[C@@H]1CCCN(C(=O)NCC#CCO)C1	ZINC001589609833	987455714	/nfs/dbraw/zinc/45/57/14/987455714.db2.gz	LEKOMXVLMDWBLB-LLVKDONJSA-N	-1	0	282.340	0.515	20	30		CCEDRM
CC(C)(C)[C@H](CC(=O)[O-])NC(=O)Cn1cnc(C#N)n1	ZINC001589702453	987798959	/nfs/dbraw/zinc/79/89/59/987798959.db2.gz	HSUKUNDOWCLJIF-QMMMGPOBSA-N	-1	0	279.300	0.155	20	30		CCEDRM
CCc1nc(C#N)cc(N2C[C@@H](C)O[C@@H](C(=O)[O-])C2)n1	ZINC001597645152	988661165	/nfs/dbraw/zinc/66/11/65/988661165.db2.gz	MFFBYNAXVYTEHB-PSASIEDQSA-N	-1	0	276.296	0.589	20	30		CCEDRM
C[C@@H](C#N)NS(=O)(=O)c1ccc(C(=O)[O-])cc1[N+](=O)[O-]	ZINC001599830264	988661327	/nfs/dbraw/zinc/66/13/27/988661327.db2.gz	KMKALQYGAVBQHV-LURJTMIESA-N	-1	0	299.264	0.483	20	30		CCEDRM
C[C@@H]1C[C@H](C(=O)N2CCSC[C@H]2C#N)O[C@H]1C(=O)[O-]	ZINC001599873610	989387898	/nfs/dbraw/zinc/38/78/98/989387898.db2.gz	GBEWAXDYZSVRIV-ZYUZMQFOSA-N	-1	0	284.337	0.332	20	30		CCEDRM
CN(C(=O)CSCC#N)[C@@H](COC1CCC1)C(=O)[O-]	ZINC001598033618	990256770	/nfs/dbraw/zinc/25/67/70/990256770.db2.gz	XUQMMHYJISXIRT-JTQLQIEISA-N	-1	0	286.353	0.724	20	30		CCEDRM
CN(C(=O)Cn1ccc(C(=O)[O-])n1)[C@H]1CCC[C@@H]1C#N	ZINC001598041327	990274631	/nfs/dbraw/zinc/27/46/31/990274631.db2.gz	NAOQLSKQXJTGET-KOLCDFICSA-N	-1	0	276.296	0.732	20	30		CCEDRM
CC(C)(CO)CNN=Cc1ccc(C(=O)[O-])cn1	ZINC001590782569	990597150	/nfs/dbraw/zinc/59/71/50/990597150.db2.gz	UGQNRZUJLQPBHU-UHFFFAOYSA-N	-1	0	251.286	0.722	20	30		CCEDRM
CN(C)C[C@](C)(C#N)NC(=O)[C@H]1CC[C@H]1C(=O)[O-]	ZINC001598199471	990808062	/nfs/dbraw/zinc/80/80/62/990808062.db2.gz	IFFAJDJEEYMOAV-SBMIAAHKSA-N	-1	0	253.302	0.057	20	30		CCEDRM
CN(C)c1cc(C#N)cc(C(=O)NC[C@](C)(O)C(=O)[O-])c1	ZINC001598288600	991197212	/nfs/dbraw/zinc/19/72/12/991197212.db2.gz	YVAMIJRTOAWVLB-AWEZNQCLSA-N	-1	0	291.307	0.190	20	30		CCEDRM
CC(C)Cn1cc(C(=O)N(CC#N)CCC(=O)[O-])cn1	ZINC001591516611	992684106	/nfs/dbraw/zinc/68/41/06/992684106.db2.gz	WTGMMSSWRLLHGM-UHFFFAOYSA-N	-1	0	278.312	0.980	20	30		CCEDRM
COc1ccc(S(=O)(=O)N(C)CC#N)c(CC(=O)[O-])c1	ZINC001599609252	993929669	/nfs/dbraw/zinc/92/96/69/993929669.db2.gz	UEBKFPYFQBJEEV-UHFFFAOYSA-N	-1	0	298.320	0.466	20	30		CCEDRM
CNc1ncc(C(=O)N(CC#N)CCC(=O)[O-])s1	ZINC001598681063	994929103	/nfs/dbraw/zinc/92/91/03/994929103.db2.gz	HBLSAVUVHAWKEM-UHFFFAOYSA-N	-1	0	268.298	0.625	20	30		CCEDRM
COC(=O)[C@H]1CCN(Cc2ccc(C#N)o2)[C@@H](C(=O)[O-])C1	ZINC001598799063	996126893	/nfs/dbraw/zinc/12/68/93/996126893.db2.gz	HIFIRGUQKNRNPT-JOYOIKCWSA-N	-1	0	292.291	0.989	20	30		CCEDRM
C[C@H](c1nc(C(=O)[O-])co1)N1CCN(CCC#N)CC1	ZINC001593730490	996294817	/nfs/dbraw/zinc/29/48/17/996294817.db2.gz	OOLBEQDSOSNACI-SNVBAGLBSA-N	-1	0	278.312	0.965	20	30		CCEDRM
C[C@]1(C#N)CN(C(=O)NCC2(C(=O)[O-])CC2)CCO1	ZINC001593743720	996370667	/nfs/dbraw/zinc/37/06/67/996370667.db2.gz	ZUGAKDWQHIXZCS-NSHDSACASA-N	-1	0	267.285	0.175	20	30		CCEDRM
COC(=O)[C@@H]1CN(c2cnccc2C#N)C[C@@H]1C(=O)[O-]	ZINC001598826924	996392865	/nfs/dbraw/zinc/39/28/65/996392865.db2.gz	KNIZXADUHSECGK-VHSXEESVSA-N	-1	0	275.264	0.263	20	30		CCEDRM
COC(=O)[C@@H]1CN(c2snc(C)c2C#N)C[C@H]1C(=O)[O-]	ZINC001598827597	996399779	/nfs/dbraw/zinc/39/97/79/996399779.db2.gz	NNPZHHUHXRUCHA-RKDXNWHRSA-N	-1	0	295.320	0.633	20	30		CCEDRM
COC(=O)[C@@H]1CN(c2nc(C)ccc2C#N)C[C@H]1C(=O)[O-]	ZINC001598830806	996434498	/nfs/dbraw/zinc/43/44/98/996434498.db2.gz	ZZTHLXWPCQCHNQ-GHMZBOCLSA-N	-1	0	289.291	0.572	20	30		CCEDRM
COC(=O)CN(CC#N)C(=O)/C=C/c1ccc(C(=O)[O-])o1	ZINC001598861345	996677195	/nfs/dbraw/zinc/67/71/95/996677195.db2.gz	VPCCSNMITYCGGU-HWKANZROSA-N	-1	0	292.247	0.516	20	30		CCEDRM
COC[C@H](NC(=O)c1c[nH]c2cccc(C#N)c12)C(=O)[O-]	ZINC001599174343	996814269	/nfs/dbraw/zinc/81/42/69/996814269.db2.gz	PJZCHUGJXSWLFT-NSHDSACASA-N	-1	0	287.275	0.869	20	30		CCEDRM
COC(=O)[C@@H]1C[C@@H]1C(=O)N1CCC(C#N)(C(=O)[O-])CC1	ZINC001598899587	997150149	/nfs/dbraw/zinc/15/01/49/997150149.db2.gz	CSQZKEUVNNZUBO-DTWKUNHWSA-N	-1	0	280.280	0.012	20	30		CCEDRM
COC(=O)[C@H]1CC[C@H](C(=O)N(CC#N)CC(=O)[O-])CC1	ZINC001598905977	997264186	/nfs/dbraw/zinc/26/41/86/997264186.db2.gz	NYICLMBEWJOLCD-MGCOHNPYSA-N	-1	0	282.296	0.403	20	30		CCEDRM
COCC[C@](C)(C#N)NC(=O)Cc1ccc(C(=O)[O-])nc1	ZINC001599208086	997447427	/nfs/dbraw/zinc/44/74/27/997447427.db2.gz	ZQZRFSJZMYKTKV-CQSZACIVSA-N	-1	0	291.307	0.757	20	30		CCEDRM
CO[C@@H]1COC[C@@H]1N[C@H](C(=O)[O-])c1cccc(C#N)c1	ZINC001599322413	997605073	/nfs/dbraw/zinc/60/50/73/997605073.db2.gz	PQCUEEWFQVYQGJ-XQQFMLRXSA-N	-1	0	276.292	0.687	20	30		CCEDRM
CO[C@@H]1CN([C@H](C(=O)[O-])c2ccc(C#N)cc2)C[C@H]1O	ZINC001599323469	997622989	/nfs/dbraw/zinc/62/29/89/997622989.db2.gz	UMYDPHRVEMQNIL-UPJWGTAASA-N	-1	0	276.292	0.375	20	30		CCEDRM
COC(=O)c1cc(C(=O)[O-])nn1CN(C)CC(C)(C)C#N	ZINC001598925398	997640039	/nfs/dbraw/zinc/64/00/39/997640039.db2.gz	SHVYIJSDAIFUGC-UHFFFAOYSA-N	-1	0	294.311	0.807	20	30		CCEDRM
CO[C@@]1(C)C[C@H]1NC(=O)N1CCC(C#N)(C(=O)[O-])CC1	ZINC001599324985	997647324	/nfs/dbraw/zinc/64/73/24/997647324.db2.gz	UFTRXBGGUZVOBT-SKDRFNHKSA-N	-1	0	281.312	0.564	20	30		CCEDRM
CO[C@@H]1CCN(C(=O)C#CC(C)C)[C@@H](C(=O)[O-])C1	ZINC001599117006	997671663	/nfs/dbraw/zinc/67/16/63/997671663.db2.gz	ULBFDVAABCFHEP-GHMZBOCLSA-N	-1	0	253.298	0.736	20	30		CCEDRM
COCCCCNC(=O)N1CCC(C#N)(C(=O)[O-])CC1	ZINC001599223897	997721561	/nfs/dbraw/zinc/72/15/61/997721561.db2.gz	WBXOWQBPPUCVIU-UHFFFAOYSA-N	-1	0	283.328	0.813	20	30		CCEDRM
COCCN(CC#N)C(=O)Cc1ccc(C(=O)[O-])nc1	ZINC001599230890	997850687	/nfs/dbraw/zinc/85/06/87/997850687.db2.gz	FOPXDWWQRXHJTM-UHFFFAOYSA-N	-1	0	277.280	0.321	20	30		CCEDRM
COCCN(CC(=O)[O-])C(=O)c1cc(O)cc(C#N)c1	ZINC001599234053	997914705	/nfs/dbraw/zinc/91/47/05/997914705.db2.gz	CUOBXXPWQQEGLG-UHFFFAOYSA-N	-1	0	278.264	0.437	20	30		CCEDRM
COCCN(CC(=O)[O-])C(=O)c1cc(C)c(C#N)cn1	ZINC001599234211	997916770	/nfs/dbraw/zinc/91/67/70/997916770.db2.gz	VECHGNBCHXHNTQ-UHFFFAOYSA-N	-1	0	277.280	0.435	20	30		CCEDRM
COc1cc(C#N)ccc1C(=O)N(CC#N)CC(=O)[O-]	ZINC001599349266	998065405	/nfs/dbraw/zinc/06/54/05/998065405.db2.gz	LYZQOARFVKBDHZ-UHFFFAOYSA-N	-1	0	273.248	0.617	20	30		CCEDRM
COCC#CC(=O)N1CCc2ccccc2[C@@H]1C(=O)[O-]	ZINC001599138152	998079596	/nfs/dbraw/zinc/07/95/96/998079596.db2.gz	IWYUJCBGFWMWQH-CQSZACIVSA-N	-1	0	273.288	0.847	20	30		CCEDRM
COCC#CC(=O)N[C@]1(C)CCCC[C@H]1C(=O)[O-]	ZINC001599138406	998084026	/nfs/dbraw/zinc/08/40/26/998084026.db2.gz	KRWNXBPAPCCJPU-GXFFZTMASA-N	-1	0	253.298	0.786	20	30		CCEDRM
COc1cc(C(=O)NC[C@@H](O)CC(=O)[O-])ccc1C#N	ZINC001599354211	998150338	/nfs/dbraw/zinc/15/03/38/998150338.db2.gz	KYTSGAWTVVGDEN-JTQLQIEISA-N	-1	0	278.264	0.132	20	30		CCEDRM
COc1cc(C(=O)N[C@@]2(C(=O)[O-])C[C@@H](O)C2)ccc1C#N	ZINC001599354618	998158253	/nfs/dbraw/zinc/15/82/53/998158253.db2.gz	FTZAHNJMVURQES-WJONMLJTSA-N	-1	0	290.275	0.275	20	30		CCEDRM
C[C@H]1[C@@H](C(=O)[O-])CCN1S(=O)(=O)c1ccc(C#N)cn1	ZINC001594170128	998653638	/nfs/dbraw/zinc/65/36/38/998653638.db2.gz	BHUDGDGPOGHJOE-WPRPVWTQSA-N	-1	0	295.320	0.437	20	30		CCEDRM
C[C@@H]1CCn2ncc(C(=O)N(CC#N)CC(=O)[O-])c2C1	ZINC001594452539	999652872	/nfs/dbraw/zinc/65/28/72/999652872.db2.gz	SXRKPWIMELJQTP-SECBINFHSA-N	-1	0	276.296	0.516	20	30		CCEDRM
Cn1cc(C#N)c(=NC(=O)N2CCc3cc[nH]c(=O)c3C2)[n-]1	ZINC000617277076	365588088	/nfs/dbraw/zinc/58/80/88/365588088.db2.gz	DARKIHALKYMQFA-UHFFFAOYSA-N	-1	0	298.306	0.404	20	30		CCEDRM
C[C@@H]1C[C@@H]1c1cc(=NC(=O)N=c2[n-]n(C)cc2C#N)[nH][nH]1	ZINC000617277172	365589077	/nfs/dbraw/zinc/58/90/77/365589077.db2.gz	ZUSXCZGVMILGOB-APPZFPTMSA-N	-1	0	285.311	0.626	20	30		CCEDRM
CN([C@H]1C[C@@H](C(=O)[O-])C1)S(=O)(=O)CC1(CC#N)CC1	ZINC000600659505	362028055	/nfs/dbraw/zinc/02/80/55/362028055.db2.gz	YOWRHSFVHLWMMI-AOOOYVTPSA-N	-1	0	286.353	0.805	20	30		CCEDRM
Cn1cc([N+](=O)[O-])c(S(=O)(=O)[N-][C@@]2(C#N)CC2(C)C)n1	ZINC000600669083	362028815	/nfs/dbraw/zinc/02/88/15/362028815.db2.gz	VDTVUMAUUVKZTI-SNVBAGLBSA-N	-1	0	299.312	0.299	20	30		CCEDRM
N#CCc1ccccc1S(=O)(=O)N1CC[C@H](C(=O)[O-])C1	ZINC000600940632	362094911	/nfs/dbraw/zinc/09/49/11/362094911.db2.gz	MQOMNCZMLKJAPK-NSHDSACASA-N	-1	0	294.332	0.848	20	30		CCEDRM
COc1ccc(Cn2[n-]nnc2=NC[C@@H](C)C#N)cc1	ZINC000601125153	362152762	/nfs/dbraw/zinc/15/27/62/362152762.db2.gz	MZNKQMXYNFYPIZ-JTQLQIEISA-N	-1	0	272.312	0.723	20	30		CCEDRM
CC[C@H](C)N(CC(=O)[O-])S(=O)(=O)c1ccc(C#N)nc1	ZINC000127932461	187341663	/nfs/dbraw/zinc/34/16/63/187341663.db2.gz	OCHRPNKGGMDRPW-VIFPVBQESA-N	-1	0	297.336	0.827	20	30		CCEDRM
C=CCn1cc(CNC(=O)[C@@H](C)S[C@@H](C)C(=O)[O-])nn1	ZINC000601998195	362452625	/nfs/dbraw/zinc/45/26/25/362452625.db2.gz	JKXAESCDIBCJRM-BDAKNGLRSA-N	-1	0	298.368	0.675	20	30		CCEDRM
Cc1c(Cl)cnc(NCCOCC(=O)[O-])c1C#N	ZINC000602013222	362456144	/nfs/dbraw/zinc/45/61/44/362456144.db2.gz	XICPMYWCHDMWMV-UHFFFAOYSA-N	-1	0	269.688	0.850	20	30		CCEDRM
CCCCN(CC)C(=O)Cn1cc(C#N)c(=O)[n-]c1=O	ZINC000602032510	362465568	/nfs/dbraw/zinc/46/55/68/362465568.db2.gz	XSFYQNPPMGBCGB-UHFFFAOYSA-N	-1	0	278.312	0.469	20	30		CCEDRM
CC[C@H]1CCCN(C(=O)Cn2cc(C#N)c(=O)[n-]c2=O)C1	ZINC000602058622	362469096	/nfs/dbraw/zinc/46/90/96/362469096.db2.gz	JWRHMEADBJZKAU-JTQLQIEISA-N	-1	0	290.323	0.469	20	30		CCEDRM
CCC[C@@H](C)N(C)C(=O)CCn1cc(C#N)c(=O)[n-]c1=O	ZINC000602062155	362470808	/nfs/dbraw/zinc/47/08/08/362470808.db2.gz	YIISPAPMBPBLAP-SNVBAGLBSA-N	-1	0	292.339	0.858	20	30		CCEDRM
N#Cc1cn(CC(=O)N2C[C@@H]3CCC[C@@H]3C2)c(=O)[n-]c1=O	ZINC000602118356	362501582	/nfs/dbraw/zinc/50/15/82/362501582.db2.gz	KRXXVSZNMOZYCF-AOOOYVTPSA-N	-1	0	288.307	0.079	20	30		CCEDRM
N#Cc1cn(CCC(=O)N2CCC=C(F)C2)c(=O)[n-]c1=O	ZINC000602128411	362508143	/nfs/dbraw/zinc/50/81/43/362508143.db2.gz	DPKJLNNQQNRAJS-UHFFFAOYSA-N	-1	0	292.270	0.296	20	30		CCEDRM
CC1=C[C@H](C)CN(C(=O)Cn2cc(C#N)c(=O)[n-]c2=O)C1	ZINC000602148376	362525333	/nfs/dbraw/zinc/52/53/33/362525333.db2.gz	KYCAQXDPGDEMKA-VIFPVBQESA-N	-1	0	288.307	0.245	20	30		CCEDRM
CC[C@@H](O)CNC(=O)c1cc(C#N)c(SC)[n-]c1=O	ZINC000344383181	137191786	/nfs/dbraw/zinc/19/17/86/137191786.db2.gz	OYPSTUBCJCAJJE-MRVPVSSYSA-N	-1	0	281.337	0.881	20	30		CCEDRM
CN(CCC(=O)[O-])S(=O)(=O)Cc1cccc(C#N)c1	ZINC000037932410	348219942	/nfs/dbraw/zinc/21/99/42/348219942.db2.gz	BGGBBIFYKNHERQ-UHFFFAOYSA-N	-1	0	282.321	0.795	20	30		CCEDRM
COCC1(NC(=O)N=c2[n-]n(C)cc2C#N)CCCC1	ZINC000602884739	362862760	/nfs/dbraw/zinc/86/27/60/362862760.db2.gz	CLHUUWIFZPQIEF-UHFFFAOYSA-N	-1	0	277.328	0.794	20	30		CCEDRM
CCN(CCSC)C(=O)N=c1[n-]n(C)cc1C#N	ZINC000602886616	362866166	/nfs/dbraw/zinc/86/61/66/362866166.db2.gz	KKCJUGNHIDGBAL-UHFFFAOYSA-N	-1	0	267.358	0.930	20	30		CCEDRM
COC[C@@H]1CCCN(C(=O)N=c2[n-]n(C)cc2C#N)CC1	ZINC000602878918	362859034	/nfs/dbraw/zinc/85/90/34/362859034.db2.gz	COTUMCTWZVVGCW-LLVKDONJSA-N	-1	0	291.355	0.994	20	30		CCEDRM
N#Cc1cc(S(=O)(=O)NCC(=O)[O-])ccc1F	ZINC000071238217	348905597	/nfs/dbraw/zinc/90/55/97/348905597.db2.gz	XSGOYWHHQFYUMW-UHFFFAOYSA-N	-1	0	258.230	0.060	20	30		CCEDRM
Cc1[n-]sc(=NC(=O)N2CCOCCN2)c1C#N	ZINC000603009999	362937350	/nfs/dbraw/zinc/93/73/50/362937350.db2.gz	FAOQJURLOFQYFZ-UHFFFAOYSA-N	-1	0	267.314	0.692	20	30		CCEDRM
N#Cc1cccc(S(=O)(=O)N2CC[C@H]2C(=O)[O-])c1	ZINC000290874396	197846016	/nfs/dbraw/zinc/84/60/16/197846016.db2.gz	BFAIIYVRHVEZFR-JTQLQIEISA-N	-1	0	266.278	0.406	20	30		CCEDRM
N#Cc1ccc([N+](=O)[O-])c(N2CCO[C@H](C(=O)[O-])C2)c1	ZINC000124595902	350102737	/nfs/dbraw/zinc/10/27/37/350102737.db2.gz	VPJGOFSIQYJJOW-NSHDSACASA-N	-1	0	277.236	0.756	20	30		CCEDRM
N#Cc1ccc(S(=O)(=O)NCC(=O)[O-])c(Cl)c1	ZINC000126023535	350135707	/nfs/dbraw/zinc/13/57/07/350135707.db2.gz	ZCDROWBKDFAHEF-UHFFFAOYSA-N	-1	0	274.685	0.575	20	30		CCEDRM
C#CCNC(=O)c1c(-c2ccccc2)[n-]n(CC)c1=O	ZINC000128570512	350195159	/nfs/dbraw/zinc/19/51/59/350195159.db2.gz	JELRQIJUEBHVNI-LBPRGKRZSA-N	-1	0	269.304	0.618	20	30		CCEDRM
Cc1ccc(C#N)c(NCCCc2nc(=O)[n-][nH]2)n1	ZINC000128027351	350183755	/nfs/dbraw/zinc/18/37/55/350183755.db2.gz	AGBHCEBGPPTFRR-UHFFFAOYSA-N	-1	0	258.285	0.718	20	30		CCEDRM
N#Cc1nc(NC(=O)CNC(=O)c2ccccc2)[n-]c1C#N	ZINC000128269137	350188650	/nfs/dbraw/zinc/18/86/50/350188650.db2.gz	ZCEBNKZGBNXRSU-UHFFFAOYSA-N	-1	0	294.274	0.522	20	30		CCEDRM
CC(C)CC(=O)NCCC(=O)Nc1nc(C#N)c(C#N)[n-]1	ZINC000175296110	351124807	/nfs/dbraw/zinc/12/48/07/351124807.db2.gz	HMVPCJNDSUCYJE-UHFFFAOYSA-N	-1	0	288.311	0.644	20	30		CCEDRM
C=CCCOCCNC(=O)[C@@H]1CC[C@H](C(=O)[O-])O1	ZINC000226257477	352021440	/nfs/dbraw/zinc/02/14/40/352021440.db2.gz	WZRPEQNBLCNBMU-VHSXEESVSA-N	-1	0	257.286	0.328	20	30		CCEDRM
C=CC[C@H](NS(=O)(=O)c1cnn(C(C)C)c1)C(=O)[O-]	ZINC000274911005	353172460	/nfs/dbraw/zinc/17/24/60/353172460.db2.gz	KPDBTUMFSPVXIN-JTQLQIEISA-N	-1	0	287.341	0.772	20	30		CCEDRM
C=CC[C@@H](NS(=O)(=O)CCCCOC)C(=O)[O-]	ZINC000274967408	353176137	/nfs/dbraw/zinc/17/61/37/353176137.db2.gz	VUXHILDSNYQILJ-SECBINFHSA-N	-1	0	265.331	0.362	20	30		CCEDRM
CC#CC[C@@H](NS(=O)(=O)c1c(C)nn(C)c1C)C(=O)[O-]	ZINC000275037295	353181202	/nfs/dbraw/zinc/18/12/02/353181202.db2.gz	QPQUQMQHMOSFRQ-SNVBAGLBSA-N	-1	0	299.352	0.182	20	30		CCEDRM
C#Cc1cccc(NC(=O)CNC(=O)C2(C(=O)[O-])CC2)c1	ZINC000154810285	188163473	/nfs/dbraw/zinc/16/34/73/188163473.db2.gz	PYZRQCYJWBEFOO-UHFFFAOYSA-N	-1	0	286.287	0.587	20	30		CCEDRM
CC(C)O[N-]C(=O)CNC(=O)c1ccc(C#N)cc1	ZINC000295707579	353913728	/nfs/dbraw/zinc/91/37/28/353913728.db2.gz	OZULDWFPQVEEKJ-UHFFFAOYSA-N	-1	0	261.281	0.744	20	30		CCEDRM
CC(C)n1nccc1C(=O)N=c1[n-]n(C)cc1C#N	ZINC000331198673	354488593	/nfs/dbraw/zinc/48/85/93/354488593.db2.gz	TWQWFSRUWWCLAP-UHFFFAOYSA-N	-1	0	258.285	0.743	20	30		CCEDRM
Cn1cc(C#N)c(=NC(=O)c2ccc(F)c(C#N)c2)[n-]1	ZINC000341417069	355667714	/nfs/dbraw/zinc/66/77/14/355667714.db2.gz	JVPLMUNWSKAEED-UHFFFAOYSA-N	-1	0	269.239	0.977	20	30		CCEDRM
C[C@@H](NS(=O)(=O)c1ccc(C#N)o1)[C@@H](C)C(=O)[O-]	ZINC000560481740	291104222	/nfs/dbraw/zinc/10/42/22/291104222.db2.gz	SQGULSKWKHVNTN-RNFRBKRXSA-N	-1	0	272.282	0.539	20	30		CCEDRM
N#Cc1c(C2CC2)[n-][nH]c1=NC(=O)c1ccc(=O)[nH]c1	ZINC000359724065	356880204	/nfs/dbraw/zinc/88/02/04/356880204.db2.gz	LGEACMPEOKXXNA-UHFFFAOYSA-N	-1	0	269.264	0.934	20	30		CCEDRM
COC[C@H](C)[C@H](C)C(=O)N=c1[nH][n-]c(C)c1C#N	ZINC000360453099	357015336	/nfs/dbraw/zinc/01/53/36/357015336.db2.gz	BDPQPTWWISSLMR-YUMQZZPRSA-N	-1	0	250.302	0.869	20	30		CCEDRM
Cn1cc(C#N)c(=NC(=O)NC[C@@H]2CCCCO2)[n-]1	ZINC000610562395	363576141	/nfs/dbraw/zinc/57/61/41/363576141.db2.gz	RPMJZCWWHPWBAD-JTQLQIEISA-N	-1	0	263.301	0.404	20	30		CCEDRM
COc1ncccc1CNC(=O)N=c1[n-]n(C)cc1C#N	ZINC000610562566	363576822	/nfs/dbraw/zinc/57/68/22/363576822.db2.gz	XSYFEEPCNHNGKM-UHFFFAOYSA-N	-1	0	286.295	0.439	20	30		CCEDRM
Cn1cc(C#N)c(=NC(=O)NC[C@@]2(C)CCOC2)[n-]1	ZINC000610565021	363578982	/nfs/dbraw/zinc/57/89/82/363578982.db2.gz	NYUGWJGGXDPYAT-GFCCVEGCSA-N	-1	0	263.301	0.262	20	30		CCEDRM
Cn1cc2c(n1)CCC[C@@H]2C(=O)Nc1nc(C#N)c(C#N)[n-]1	ZINC000366893054	357251297	/nfs/dbraw/zinc/25/12/97/357251297.db2.gz	NNRQMRLOQWRCOO-QMMMGPOBSA-N	-1	0	295.306	0.945	20	30		CCEDRM
C[C@@H](NC(=O)c1cnc([O-])n(C)c1=O)c1cccc(C#N)c1	ZINC000610585450	363582224	/nfs/dbraw/zinc/58/22/24/363582224.db2.gz	OEIRAOFLKFMQSS-SECBINFHSA-N	-1	0	298.302	0.849	20	30		CCEDRM
CO[C@@H](C)CS(=O)(=O)[N-]c1ccc(C#N)c(C)n1	ZINC000451093513	236135427	/nfs/dbraw/zinc/13/54/27/236135427.db2.gz	WBVONJBDFUENGM-QMMMGPOBSA-N	-1	0	269.326	0.460	20	30		CCEDRM
C=CCOC[C@@H](NC(=O)NCCC(C)C)C(=O)[O-]	ZINC000684709926	545726932	/nfs/dbraw/zinc/72/69/32/545726932.db2.gz	ABVQWNIAVJAJIP-SNVBAGLBSA-N	-1	0	258.318	0.988	20	30		CCEDRM
C#CCN(CC)C(=O)C(=O)N=c1ccc(OC(C)C)n[n-]1	ZINC000491167158	358291773	/nfs/dbraw/zinc/29/17/73/358291773.db2.gz	WQGXKFQNQXGWOU-UHFFFAOYSA-N	-1	0	290.323	0.106	20	30		CCEDRM
C=C(C)COCCNC(=O)N=c1[n-]n(C)cc1C#N	ZINC000610773199	363612866	/nfs/dbraw/zinc/61/28/66/363612866.db2.gz	KDVHAYKHVYVMQX-UHFFFAOYSA-N	-1	0	263.301	0.428	20	30		CCEDRM
N#CCCCS(=O)(=O)N[C@@H](CC1CC1)C(=O)[O-]	ZINC000556775325	358553479	/nfs/dbraw/zinc/55/34/79/358553479.db2.gz	ZLYOZQXFVSGYIH-VIFPVBQESA-N	-1	0	260.315	0.463	20	30		CCEDRM
C=C1C[C@H]2CC[C@@H](C1)N2C(=O)c1n[nH]c(=O)[n-]c1=O	ZINC000620306621	366482812	/nfs/dbraw/zinc/48/28/12/366482812.db2.gz	KMFVKNIPRWEXAR-OCAPTIKFSA-N	-1	0	262.269	0.606	20	30		CCEDRM
C=CCC[C@@H](NS(=O)(=O)c1ccoc1)C(=O)[O-]	ZINC000582316777	359135118	/nfs/dbraw/zinc/13/51/18/359135118.db2.gz	URACQUPVPHDMKH-SECBINFHSA-N	-1	0	259.283	0.977	20	30		CCEDRM
C[C@@H](O)[C@@H]1CCCN(C(=O)N=c2[n-]n(C)cc2C#N)C1	ZINC000610964592	363639213	/nfs/dbraw/zinc/63/92/13/363639213.db2.gz	FDHDEVGMYBOEPJ-NXEZZACHSA-N	-1	0	277.328	0.338	20	30		CCEDRM
Cc1nn2c([n-]nc2SCc2ccnc(C#N)c2)nc1=O	ZINC000610956690	363637449	/nfs/dbraw/zinc/63/74/49/363637449.db2.gz	QNPYUEXFAYIKJE-UHFFFAOYSA-N	-1	0	299.319	0.680	20	30		CCEDRM
C=C[C@@H](C(=O)OC)N1CCC[C@@H](c2n[nH]c(=O)[n-]2)C1	ZINC000588973847	359354470	/nfs/dbraw/zinc/35/44/70/359354470.db2.gz	JUECWFXSVVDDPC-BDAKNGLRSA-N	-1	0	266.301	0.417	20	30		CCEDRM
Cc1cnn([C@@H]2CCN(C(=O)N=c3[n-]n(C)cc3C#N)C2)c1	ZINC000589332773	359379304	/nfs/dbraw/zinc/37/93/04/359379304.db2.gz	SFMVDVVSIFFSJT-GFCCVEGCSA-N	-1	0	299.338	0.698	20	30		CCEDRM
CC[C@H](NC(=O)N=c1[n-]n(C)cc1C#N)[C@@H]1CCCO1	ZINC000611127430	363662301	/nfs/dbraw/zinc/66/23/01/363662301.db2.gz	DPVOMLQDILNVQY-QWRGUYRKSA-N	-1	0	277.328	0.793	20	30		CCEDRM
CCC[C@@H](CNC(=O)N=c1[n-]n(C)cc1C#N)OC	ZINC000590819587	359527485	/nfs/dbraw/zinc/52/74/85/359527485.db2.gz	NWJQHAUETWLOSB-JTQLQIEISA-N	-1	0	265.317	0.650	20	30		CCEDRM
COC1(CCNC(=O)N=c2[n-]n(C)cc2C#N)CCC1	ZINC000590819669	359527647	/nfs/dbraw/zinc/52/76/47/359527647.db2.gz	RAFOOCQSJRGZBI-UHFFFAOYSA-N	-1	0	277.328	0.794	20	30		CCEDRM
Cn1cc(C#N)c(=NC(=O)N[C@@H]2C[C@H]2c2ccco2)[n-]1	ZINC000591338167	359579476	/nfs/dbraw/zinc/57/94/76/359579476.db2.gz	QNMNSURFJJYKDO-NXEZZACHSA-N	-1	0	271.280	0.984	20	30		CCEDRM
CC#CC[C@H](NS(=O)(=O)c1cnn(CC)c1)C(=O)[O-]	ZINC000274948144	192854066	/nfs/dbraw/zinc/85/40/66/192854066.db2.gz	FZUUSKYKGJCBJK-JTQLQIEISA-N	-1	0	285.325	0.048	20	30		CCEDRM
N#Cc1c[n-]c(=O)n(Cc2noc3c2CCCC3)c1=O	ZINC000592354946	359823585	/nfs/dbraw/zinc/82/35/85/359823585.db2.gz	CPXNOGZWNDCDAF-UHFFFAOYSA-N	-1	0	272.264	0.323	20	30		CCEDRM
N#CCC1(CS(=O)(=O)N[C@H]2CC[C@@H](C(=O)[O-])C2)CC1	ZINC000592458057	359844246	/nfs/dbraw/zinc/84/42/46/359844246.db2.gz	LXTKNQAGLLWHAR-ZJUUUORDSA-N	-1	0	286.353	0.853	20	30		CCEDRM
C=CCn1cc(C(=O)Nc2ncc(C(=O)OCC)[n-]2)nn1	ZINC000592630124	359904030	/nfs/dbraw/zinc/90/40/30/359904030.db2.gz	DWMARXXMRHDYFB-UHFFFAOYSA-N	-1	0	290.283	0.616	20	30		CCEDRM
Cc1c(C#N)c(=NC(=O)c2cc(C)ncn2)[n-]n1C	ZINC000592654896	359910587	/nfs/dbraw/zinc/91/05/87/359910587.db2.gz	TUUSFEIZVVHMDA-UHFFFAOYSA-N	-1	0	256.269	0.373	20	30		CCEDRM
CC#CC[C@H](CO)NC(=O)c1cccc([O-])c1[N+](=O)[O-]	ZINC000592926710	359984391	/nfs/dbraw/zinc/98/43/91/359984391.db2.gz	VXCLAXLIVDXQJR-SECBINFHSA-N	-1	0	278.264	0.805	20	30		CCEDRM
CC#CC[C@H](CO)NC(=O)c1cc([O-])cc([N+](=O)[O-])c1	ZINC000592926615	359984432	/nfs/dbraw/zinc/98/44/32/359984432.db2.gz	TVDUGBVUQAOHSE-SNVBAGLBSA-N	-1	0	278.264	0.805	20	30		CCEDRM
C[C@@H]1CC[C@H](C(=O)[O-])N1S(=O)(=O)CC1(C#N)CC1	ZINC000593222863	360052734	/nfs/dbraw/zinc/05/27/34/360052734.db2.gz	XXLQZIZKQAZOJD-RKDXNWHRSA-N	-1	0	272.326	0.557	20	30		CCEDRM
N#Cc1sccc1S(=O)(=O)N1C[C@@H]2C[C@]2(C(=O)[O-])C1	ZINC000593271999	360058560	/nfs/dbraw/zinc/05/85/60/360058560.db2.gz	WHLVJOKNXVFQTA-CPCISQLKSA-N	-1	0	298.345	0.715	20	30		CCEDRM
CCN(CCC#N)S(=O)(=O)NC[C@H](C(=O)[O-])C(C)C	ZINC000593944873	360221213	/nfs/dbraw/zinc/22/12/13/360221213.db2.gz	NTMXLXTWUFXBMJ-JTQLQIEISA-N	-1	0	291.373	0.413	20	30		CCEDRM
CO[C@@H]1CCC[C@H]1CNC(=O)N=c1[n-]n(C)cc1C#N	ZINC000611388935	363712000	/nfs/dbraw/zinc/71/20/00/363712000.db2.gz	XLGMKEKFAGTYKD-GXSJLCMTSA-N	-1	0	277.328	0.650	20	30		CCEDRM
CN(C[C@H]1CCCC[C@@H]1O)C(=O)N=c1[n-]n(C)cc1C#N	ZINC000611503761	363728399	/nfs/dbraw/zinc/72/83/99/363728399.db2.gz	HYWFXCKQXLMREB-PWSUYJOCSA-N	-1	0	291.355	0.728	20	30		CCEDRM
Cn1cc(C#N)c(=NC(=O)NCC[C@H]2CCCCO2)[n-]1	ZINC000611557452	363738294	/nfs/dbraw/zinc/73/82/94/363738294.db2.gz	GKHIWSCCMNKZMQ-LLVKDONJSA-N	-1	0	277.328	0.794	20	30		CCEDRM
C[C@@H](NC(=O)N=c1[n-]n(C)cc1C#N)[C@H]1CCCOC1	ZINC000611557548	363738302	/nfs/dbraw/zinc/73/83/02/363738302.db2.gz	XAVIVPYIKMWUER-ZJUUUORDSA-N	-1	0	277.328	0.650	20	30		CCEDRM
Cc1nnc(N[C@@H]2C[C@@H](C(=O)[O-])C[C@H]2O)c(C#N)c1C	ZINC000595980634	360755875	/nfs/dbraw/zinc/75/58/75/360755875.db2.gz	XDLDLCBRRPNFNI-FBIMIBRVSA-N	-1	0	276.296	0.601	20	30		CCEDRM
C[C@]1(C#N)CCN(C(=O)c2cnc(C(=O)[O-])cn2)C1	ZINC000595999373	360771235	/nfs/dbraw/zinc/77/12/35/360771235.db2.gz	JUBSWTCZRJZNMK-GFCCVEGCSA-N	-1	0	260.253	0.551	20	30		CCEDRM
COc1cc(C#N)ccc1O[C@H]1CCN(CC(=O)[O-])C1=O	ZINC000596009304	360773909	/nfs/dbraw/zinc/77/39/09/360773909.db2.gz	NVRLQEOXGWYSJU-NSHDSACASA-N	-1	0	290.275	0.631	20	30		CCEDRM
CC[C@@H](CC#N)NC(=O)c1cc(S(N)(=O)=O)ccc1[O-]	ZINC000597506898	361120067	/nfs/dbraw/zinc/12/00/67/361120067.db2.gz	FDFYTUOEJWILMX-QMMMGPOBSA-N	-1	0	297.336	0.462	20	30		CCEDRM
C=CCCSCCNC(=O)Cc1n[n-]c(=NC)s1	ZINC000597967287	361295565	/nfs/dbraw/zinc/29/55/65/361295565.db2.gz	UCKCFPSWRLUMRX-UHFFFAOYSA-N	-1	0	286.426	0.970	20	30		CCEDRM
Cc1c(C#N)c(=NC(=O)C(C)(C)n2cccn2)[n-]n1C	ZINC000598843095	361524977	/nfs/dbraw/zinc/52/49/77/361524977.db2.gz	JOGHVVZFEYNJPR-UHFFFAOYSA-N	-1	0	272.312	0.592	20	30		CCEDRM
C=CC(C)(C)C[N-]S(=O)(=O)c1cc(C(=O)OC)no1	ZINC000599317254	361649454	/nfs/dbraw/zinc/64/94/54/361649454.db2.gz	RSKIYXHMOBYWFV-UHFFFAOYSA-N	-1	0	288.325	0.952	20	30		CCEDRM
C=CCN(CC(=O)[O-])S(=O)(=O)c1cnn(CC)c1	ZINC000275243370	192971521	/nfs/dbraw/zinc/97/15/21/192971521.db2.gz	GVVHFGFSMUDYSU-UHFFFAOYSA-N	-1	0	273.314	0.164	20	30		CCEDRM
CC(C)(C)n1cnc(=NC(=O)N2CC[C@](F)(C#N)C2)[n-]1	ZINC000615550882	365003294	/nfs/dbraw/zinc/00/32/94/365003294.db2.gz	YDXDGPZTALLYEI-LBPRGKRZSA-N	-1	0	280.307	0.924	20	30		CCEDRM
C=CC[C@@H]1CCN(C(=O)C(=O)N=c2cc(C)c(C)n[n-]2)C1	ZINC000627733174	369086218	/nfs/dbraw/zinc/08/62/18/369086218.db2.gz	NAONAMUAGSJBPA-GFCCVEGCSA-N	-1	0	288.351	0.878	20	30		CCEDRM
C=C[C@@H](CCC(=O)[O-])NS(=O)(=O)c1cnc(C)n1C	ZINC000629303176	369626085	/nfs/dbraw/zinc/62/60/85/369626085.db2.gz	HHSQHERHTVTOBN-VIFPVBQESA-N	-1	0	287.341	0.426	20	30		CCEDRM
C=CCOC[C@H](NC(=O)[C@@H]1[C@H](C)O[C@@H](C)[C@H]1C)C(=O)[O-]	ZINC000630186832	369995839	/nfs/dbraw/zinc/99/58/39/369995839.db2.gz	ZCBLBYRYGUAGRD-DGORSVRFSA-N	-1	0	285.340	0.818	20	30		CCEDRM
C=C(C)C[C@@H](NC(=O)c1noc2c1COCC2)C(=O)[O-]	ZINC000630320754	370047033	/nfs/dbraw/zinc/04/70/33/370047033.db2.gz	BNEMGGJWUYLNJQ-SECBINFHSA-N	-1	0	280.280	0.897	20	30		CCEDRM
C=C(C)C[C@H](NC(=O)[C@@H](OC)[C@@H]1CCOC1)C(=O)[O-]	ZINC000630321103	370047062	/nfs/dbraw/zinc/04/70/62/370047062.db2.gz	FLDCOUQBVAZINM-VWYCJHECSA-N	-1	0	271.313	0.574	20	30		CCEDRM
C=C(C)[C@H]1OCC[C@H]1CNC(=O)[C@H]1C[C@@H](C)[C@H](C(=O)[O-])O1	ZINC000630303461	370037554	/nfs/dbraw/zinc/03/75/54/370037554.db2.gz	YEHNVTITSXDGKJ-NZEXEKPDSA-N	-1	0	297.351	0.962	20	30		CCEDRM
C=C(C)C[C@@H](NC(=O)c1ccc(=O)n(CC)n1)C(=O)[O-]	ZINC000630316994	370044516	/nfs/dbraw/zinc/04/45/16/370044516.db2.gz	KEIBILNWGPGBCZ-SNVBAGLBSA-N	-1	0	279.296	0.412	20	30		CCEDRM
C=C(C)C[C@@H](NS(=O)(=O)c1ccco1)C(=O)[O-]	ZINC000630438718	370117033	/nfs/dbraw/zinc/11/70/33/370117033.db2.gz	XJVVLKUUIXIEFM-MRVPVSSYSA-N	-1	0	259.283	0.977	20	30		CCEDRM
C=CC1CCN(C(=O)NCCOCC(=O)[O-])CC1	ZINC000635522140	372584470	/nfs/dbraw/zinc/58/44/70/372584470.db2.gz	RGIWOOKTDHSZQK-UHFFFAOYSA-N	-1	0	256.302	0.695	20	30		CCEDRM
C=C[C@@H]1OCC[C@H]1CNC(=O)CCCc1nnn[n-]1	ZINC000636056335	373305196	/nfs/dbraw/zinc/30/51/96/373305196.db2.gz	MKIXTFFUAQLSCP-UWVGGRQHSA-N	-1	0	265.317	0.230	20	30		CCEDRM
C=CCOCCCNC(=O)N[C@@](C)(COC)C(=O)[O-]	ZINC000656594909	412833413	/nfs/dbraw/zinc/83/34/13/412833413.db2.gz	BAEXGFYTQZKEIB-LBPRGKRZSA-N	-1	0	274.317	0.368	20	30		CCEDRM
C=C(C)COCCNC(=O)N[C@]1(C(=O)[O-])CCSC1	ZINC000574628367	335034801	/nfs/dbraw/zinc/03/48/01/335034801.db2.gz	NEPZTFLBKVCMMP-GFCCVEGCSA-N	-1	0	288.369	0.839	20	30		CCEDRM
CCC[C@@H](NS(=O)(=O)c1ccc(C#N)o1)C(=O)[O-]	ZINC000262332983	190052700	/nfs/dbraw/zinc/05/27/00/190052700.db2.gz	VXPDGNTWBBBONN-MRVPVSSYSA-N	-1	0	272.282	0.683	20	30		CCEDRM
C=CCCO[C@@H](C)C(=O)N1C[C@@H](C)O[C@H](C(=O)[O-])C1	ZINC000262184355	190050278	/nfs/dbraw/zinc/05/02/78/190050278.db2.gz	GYBHRTLGJRDEPK-VWYCJHECSA-N	-1	0	271.313	0.668	20	30		CCEDRM
Cc1nc(NC(=O)C(=O)NCCCC(=O)[O-])ccc1C#N	ZINC000516063094	249149347	/nfs/dbraw/zinc/14/93/47/249149347.db2.gz	MDBFMHXBKAIABZ-UHFFFAOYSA-N	-1	0	290.279	0.181	20	30		CCEDRM
CO[C@H](C)c1nc(=NC(=O)N2CCO[C@@H](C#N)C2)s[n-]1	ZINC000350654315	533118453	/nfs/dbraw/zinc/11/84/53/533118453.db2.gz	TYRXRYFBKFTJRH-SFYZADRCSA-N	-1	0	297.340	0.424	20	30		CCEDRM
COc1cncc(C(=O)Nc2nc(C#N)c(C#N)[n-]2)n1	ZINC000361735786	533128238	/nfs/dbraw/zinc/12/82/38/533128238.db2.gz	JREKIDFHQYEPCT-UHFFFAOYSA-N	-1	0	269.224	0.204	20	30		CCEDRM
C=CCNC(=O)[C@@H](C)S(=O)(=O)c1n[nH]c(C2CC2)n1	ZINC000285120891	388788401	/nfs/dbraw/zinc/78/84/01/388788401.db2.gz	PKNUUBGRIQHNJA-SSDOTTSWSA-N	-1	0	284.341	0.147	20	30		CCEDRM
C#C[C@H](NC(=O)CSc1n[nH]c(=O)[n-]1)C(C)(C)C	ZINC000288002865	388857646	/nfs/dbraw/zinc/85/76/46/388857646.db2.gz	AYQSUTKBBBCBAY-ZETCQYMHSA-N	-1	0	268.342	0.354	20	30		CCEDRM
C#CCO[N-]C(=O)[C@@H]1CSCN1C(=O)[C@@H](C)CC	ZINC000291253776	388919224	/nfs/dbraw/zinc/91/92/24/388919224.db2.gz	MJDCACSJXDJDGS-UWVGGRQHSA-N	-1	0	270.354	0.615	20	30		CCEDRM
C#CCO[N-]C(=O)[C@H]1CCCN1C(=O)c1ccccc1	ZINC000295287079	388999617	/nfs/dbraw/zinc/99/96/17/388999617.db2.gz	BSZXOWOLPITLJD-CYBMUJFWSA-N	-1	0	272.304	0.972	20	30		CCEDRM
N#Cc1ncn(CC(=O)NCc2ccc(C(=O)[O-])cc2)n1	ZINC000192921942	389058041	/nfs/dbraw/zinc/05/80/41/389058041.db2.gz	XTNXJPWPDMNFLF-UHFFFAOYSA-N	-1	0	285.263	0.164	20	30		CCEDRM
C=C(C)[C@H](CC(=O)NCCCc1n[nH]c(=O)[n-]1)OCC	ZINC000339690737	389137775	/nfs/dbraw/zinc/13/77/75/389137775.db2.gz	ACYGDJMBOKNWBA-JTQLQIEISA-N	-1	0	282.344	0.930	20	30		CCEDRM
C=CCCS(=O)(=O)Nc1cccc(S(N)(=O)=O)c1	ZINC000122997612	389154128	/nfs/dbraw/zinc/15/41/28/389154128.db2.gz	RQPKSQBXWIYHOR-UHFFFAOYSA-N	-1	0	290.366	0.652	20	30		CCEDRM
N#C[C@H]1CN(C(=O)c2c([O-])cccc2F)CCO1	ZINC000123446722	389155900	/nfs/dbraw/zinc/15/59/00/389155900.db2.gz	RSTUJNYDCCMZRS-QMMMGPOBSA-N	-1	0	250.229	0.896	20	30		CCEDRM
O=C(N=c1cn[n-]s1)N1CCO[C@@]2(CCOC2)C1	ZINC000330271234	389219693	/nfs/dbraw/zinc/21/96/93/389219693.db2.gz	VPKQVPFCFIVVGY-JTQLQIEISA-N	-1	0	270.314	0.575	20	30		CCEDRM
CN(CC(F)(F)F)C(=O)NCCc1nc(=O)o[n-]1	ZINC000330388460	389223596	/nfs/dbraw/zinc/22/35/96/389223596.db2.gz	CVTHLIWLAPGZRD-UHFFFAOYSA-N	-1	0	268.195	0.314	20	30		CCEDRM
Cc1csc2ncc(/C([O-])=N/C[C@@](C)(O)CO)c(=O)n12	ZINC000330445102	389230063	/nfs/dbraw/zinc/23/00/63/389230063.db2.gz	QXLMGIZUPOKIIE-GFCCVEGCSA-N	-1	0	297.336	0.112	20	30		CCEDRM
N#CCc1ccc(C(=O)N=c2ccn(CC(=O)[O-])[nH]2)cc1	ZINC000345859329	389316544	/nfs/dbraw/zinc/31/65/44/389316544.db2.gz	AINOHUFBNYLJSP-UHFFFAOYSA-N	-1	0	284.275	0.708	20	30		CCEDRM
CCN(CC(=O)[O-])S(=O)(=O)c1ccc(C#N)nc1	ZINC000159686785	389371968	/nfs/dbraw/zinc/37/19/68/389371968.db2.gz	UVCSBOKKSVCGNH-UHFFFAOYSA-N	-1	0	269.282	0.048	20	30		CCEDRM
C=C[C@H](C)NC(=O)C(=O)N=c1ncn(C2CCCCC2)[n-]1	ZINC000348795104	389391711	/nfs/dbraw/zinc/39/17/11/389391711.db2.gz	BVIVEIIWLYVMCN-JTQLQIEISA-N	-1	0	291.355	0.834	20	30		CCEDRM
C=CCCS(=O)(=O)N1C[C@@H](OC)C[C@H]1C(=O)[O-]	ZINC000370429845	389407121	/nfs/dbraw/zinc/40/71/21/389407121.db2.gz	FGBQJRKTROTTTD-IUCAKERBSA-N	-1	0	263.315	0.066	20	30		CCEDRM
CC[C@@H](CS(=O)(=O)[N-]c1ccc(C#N)cn1)OC	ZINC000421229335	389354740	/nfs/dbraw/zinc/35/47/40/389354740.db2.gz	RWRAQWFSRGPUGM-JTQLQIEISA-N	-1	0	269.326	0.542	20	30		CCEDRM
C[C@H](C(=O)[O-])C1CN(S(=O)(=O)c2ccc(C#N)cc2)C1	ZINC000165172123	389439062	/nfs/dbraw/zinc/43/90/62/389439062.db2.gz	QJAKLFNLJPXBOA-VIFPVBQESA-N	-1	0	294.332	0.899	20	30		CCEDRM
COC(=O)[C@@H](CF)[N-]S(=O)(=O)CC1(C#N)CCC1	ZINC000349885023	389452740	/nfs/dbraw/zinc/45/27/40/389452740.db2.gz	SKRXZMOUWVNTHV-MRVPVSSYSA-N	-1	0	278.305	0.111	20	30		CCEDRM
COc1ccc(CC(=O)Nc2nc(C#N)c(C#N)[n-]2)nc1	ZINC000351261613	389571136	/nfs/dbraw/zinc/57/11/36/389571136.db2.gz	XAMFPOWCKBFEEC-UHFFFAOYSA-N	-1	0	282.263	0.738	20	30		CCEDRM
N#Cc1cccc(CS(=O)(=O)c2n[n-]c(=N)s2)c1	ZINC000350185542	389496905	/nfs/dbraw/zinc/49/69/05/389496905.db2.gz	VZOHPCBESBEYTA-UHFFFAOYSA-N	-1	0	280.334	0.796	20	30		CCEDRM
N#Cc1cccc(CS(=O)(=O)c2n[nH]c(=O)[n-]2)c1	ZINC000350239725	389500083	/nfs/dbraw/zinc/50/00/83/389500083.db2.gz	JPFUAPQLIVCVFB-UHFFFAOYSA-N	-1	0	264.266	0.356	20	30		CCEDRM
COc1cccc(S([O-])=CC(=O)N(C)CC#N)c1	ZINC000424627939	389627520	/nfs/dbraw/zinc/62/75/20/389627520.db2.gz	LWKBJSFIFFVEPB-SFHVURJKSA-N	-1	0	266.322	0.785	20	30		CCEDRM
N#C[C@H]1CC[C@@H](NC(=O)CSc2n[nH]c(=O)[n-]2)C1	ZINC000424966068	389636394	/nfs/dbraw/zinc/63/63/94/389636394.db2.gz	LMZUEONAJPZKGR-NKWVEPMBSA-N	-1	0	267.314	0.411	20	30		CCEDRM
N#Cc1cccc(S(=O)(=O)[N-]C(=O)[C@H]2CCCCO2)c1	ZINC000179113677	389637663	/nfs/dbraw/zinc/63/76/63/389637663.db2.gz	BLLIJJZLXIERAY-GFCCVEGCSA-N	-1	0	294.332	0.932	20	30		CCEDRM
C=CCCn1cc(C(=O)N[C@@H](C(=O)[O-])C2CC2)nn1	ZINC000425243100	389642574	/nfs/dbraw/zinc/64/25/74/389642574.db2.gz	DUDBYAOWUJJYRD-SNVBAGLBSA-N	-1	0	264.285	0.447	20	30		CCEDRM
C=C(C)CN(CC)C(=O)N=c1ncn(CC(=O)OCC)[n-]1	ZINC000425731395	389655564	/nfs/dbraw/zinc/65/55/64/389655564.db2.gz	VUAWTHRLDBTYGZ-UHFFFAOYSA-N	-1	0	295.343	0.693	20	30		CCEDRM
N#Cc1cccc(C(=O)NCCc2nc(=O)o[n-]2)c1	ZINC000392166548	389773760	/nfs/dbraw/zinc/77/37/60/389773760.db2.gz	JHKLLKIRFAGQCU-UHFFFAOYSA-N	-1	0	258.237	0.207	20	30		CCEDRM
C=CCNC(=O)CS(=O)(=O)c1nc2ccccc2[n-]1	ZINC000429904624	389774786	/nfs/dbraw/zinc/77/47/86/389774786.db2.gz	AGWXHDMKRSFAED-UHFFFAOYSA-N	-1	0	279.321	0.639	20	30		CCEDRM
CCC(=O)N1CCCC[C@@H]1C(=O)N=c1[nH][n-]c(C)c1C#N	ZINC000431709375	389864693	/nfs/dbraw/zinc/86/46/93/389864693.db2.gz	GGJFPEMGGTWJEH-LLVKDONJSA-N	-1	0	289.339	0.741	20	30		CCEDRM
Cc1ccc(C#N)cc1NC(=O)c1cnc([O-])n(C)c1=O	ZINC000435222021	389953122	/nfs/dbraw/zinc/95/31/22/389953122.db2.gz	GGTNEIYHNFEKNM-UHFFFAOYSA-N	-1	0	284.275	0.918	20	30		CCEDRM
N#CCNC(=O)CNC(=O)c1cc(F)cc(Cl)c1[O-]	ZINC000436736954	389984221	/nfs/dbraw/zinc/98/42/21/389984221.db2.gz	JPOXIDLHPQMLMT-UHFFFAOYSA-N	-1	0	285.662	0.554	20	30		CCEDRM
N#CCC1(O)CN(C(=O)c2cc([N+](=O)[O-])ccc2[O-])C1	ZINC000436985658	389989901	/nfs/dbraw/zinc/98/99/01/389989901.db2.gz	DXHOJOWDXNPVJX-UHFFFAOYSA-N	-1	0	277.236	0.401	20	30		CCEDRM
Cc1ncc(CNC(=O)c2cnccc2C#N)c(=O)[nH]1	ZINC000487023319	390083424	/nfs/dbraw/zinc/08/34/24/390083424.db2.gz	XYPFAXDFFBKHGE-UHFFFAOYSA-N	-1	0	269.264	0.687	20	30		CCEDRM
CCN(C[C@H](C)C#N)S(=O)(=O)NCCCCC(=O)[O-]	ZINC000584473338	390348464	/nfs/dbraw/zinc/34/84/64/390348464.db2.gz	YFSBGZZFIRUAQT-SNVBAGLBSA-N	-1	0	291.373	0.557	20	30		CCEDRM
C=CCNC(=O)CNC(=O)N=c1[n-]nc(C2CC2)s1	ZINC000554196722	390422459	/nfs/dbraw/zinc/42/24/59/390422459.db2.gz	WDRXUSDNDUCDNJ-UHFFFAOYSA-N	-1	0	281.341	0.261	20	30		CCEDRM
C[C@H]1[C@@H](C(=O)[O-])CCN1S(=O)(=O)CC1(C#N)CC1	ZINC000554677976	390439534	/nfs/dbraw/zinc/43/95/34/390439534.db2.gz	VLZRJMMSZWPGLY-IUCAKERBSA-N	-1	0	272.326	0.415	20	30		CCEDRM
C=CC[C@@H](NS(=O)(=O)c1ccc(C)nc1)C(=O)[O-]	ZINC000646041137	390581466	/nfs/dbraw/zinc/58/14/66/390581466.db2.gz	XGDOCRLITWIJOC-SNVBAGLBSA-N	-1	0	270.310	0.698	20	30		CCEDRM
C=CCOC[C@H](NS(=O)(=O)c1ccccc1C)C(=O)[O-]	ZINC000646046970	390583788	/nfs/dbraw/zinc/58/37/88/390583788.db2.gz	RVASFLVOYGHPHK-NSHDSACASA-N	-1	0	299.348	0.929	20	30		CCEDRM
C=CCOC[C@@H](NS(=O)(=O)N(C)CCCC)C(=O)[O-]	ZINC000646046982	390584483	/nfs/dbraw/zinc/58/44/83/390584483.db2.gz	XIWFVNCKGAELJO-SNVBAGLBSA-N	-1	0	294.373	0.209	20	30		CCEDRM
C=CCn1cc(C(=O)N2CC[C@@H](C)C[C@@H]2C(=O)[O-])nn1	ZINC000649251003	390538202	/nfs/dbraw/zinc/53/82/02/390538202.db2.gz	FEBJEKQYZRMNGT-MWLCHTKSSA-N	-1	0	278.312	0.789	20	30		CCEDRM
CCOC(=O)c1cc(=NC(=O)CCCC#N)[nH][n-]1	ZINC000566536148	390626404	/nfs/dbraw/zinc/62/64/04/390626404.db2.gz	KJBNYFMXXSWTFO-UHFFFAOYSA-N	-1	0	250.258	0.641	20	30		CCEDRM
C=C(C)CS(=O)(=O)NCc1cc(C(=O)[O-])co1	ZINC000568001360	390711862	/nfs/dbraw/zinc/71/18/62/390711862.db2.gz	XXTULUZDFWILIZ-UHFFFAOYSA-N	-1	0	259.283	0.973	20	30		CCEDRM
N#Cc1cc(F)c(S(=O)(=O)[N-]CC2COC2)c(F)c1	ZINC000528565434	390758862	/nfs/dbraw/zinc/75/88/62/390758862.db2.gz	VPRANIOLIBDVKF-UHFFFAOYSA-N	-1	0	288.275	0.761	20	30		CCEDRM
Cn1cc(C#N)c(=NC(=O)c2ccnn2CC(F)F)[n-]1	ZINC000571611148	390744229	/nfs/dbraw/zinc/74/42/29/390744229.db2.gz	QUDCSBZQQWISNY-UHFFFAOYSA-N	-1	0	280.238	0.428	20	30		CCEDRM
C=CCCS(=O)(=O)N1CCC[C@H]([C@H](O)C(=O)[O-])C1	ZINC000578293574	390875385	/nfs/dbraw/zinc/87/53/85/390875385.db2.gz	RAEUDYCSTALSNU-UWVGGRQHSA-N	-1	0	277.342	0.050	20	30		CCEDRM
CC[C@H](C)CC(=O)N1CC(n2cc(C#N)c(=O)[n-]c2=O)C1	ZINC000530271066	390875838	/nfs/dbraw/zinc/87/58/38/390875838.db2.gz	BWLVGAPEWKLHQG-VIFPVBQESA-N	-1	0	290.323	0.640	20	30		CCEDRM
C[C@H](C#N)CNC(=O)c1ccc(-c2nc(=O)o[n-]2)cc1	ZINC000531119681	390877849	/nfs/dbraw/zinc/87/78/49/390877849.db2.gz	ORFFKQCHWNOLMX-MRVPVSSYSA-N	-1	0	272.264	0.919	20	30		CCEDRM
COc1ccc(=NC(=O)NCC2(C)COC2)[n-]n1	ZINC000329148998	533251821	/nfs/dbraw/zinc/25/18/21/533251821.db2.gz	YPSGYPCNXKCEQX-UHFFFAOYSA-N	-1	0	252.274	0.270	20	30		CCEDRM
COc1ccc(=NC(=O)N[C@H](C)[C@H]2CCOC2)[n-]n1	ZINC000329057589	533253416	/nfs/dbraw/zinc/25/34/16/533253416.db2.gz	SYKIIPVKFIORHP-BDAKNGLRSA-N	-1	0	266.301	0.658	20	30		CCEDRM
CSc1c(C(=O)N=c2[nH][n-]c(C)c2C#N)cnn1C	ZINC000357236852	144071707	/nfs/dbraw/zinc/07/17/07/144071707.db2.gz	ZSORUIWLVOYCKB-UHFFFAOYSA-N	-1	0	276.325	0.719	20	30		CCEDRM
Cc1[n-][nH]c(=NC(=O)c2cnc3nccnc3c2)c1C#N	ZINC000357258525	144075363	/nfs/dbraw/zinc/07/53/63/144075363.db2.gz	ODGNJLHRICTUCM-UHFFFAOYSA-N	-1	0	279.263	0.602	20	30		CCEDRM
Cc1nn(C)c(C)c1C(=O)N=c1[nH][n-]c(C)c1C#N	ZINC000357257013	144075388	/nfs/dbraw/zinc/07/53/88/144075388.db2.gz	LZOYDACSEVXLPZ-UHFFFAOYSA-N	-1	0	258.285	0.614	20	30		CCEDRM
C[C@H](CF)NC(=O)C(=O)N=c1[n-]n(C(C)(C)C)cc1C#N	ZINC000358108720	144153070	/nfs/dbraw/zinc/15/30/70/144153070.db2.gz	WQDRTYKWMORXSU-MRVPVSSYSA-N	-1	0	295.318	0.344	20	30		CCEDRM
CCc1nnc([N-]S(=O)(=O)c2ccc(C#N)o2)[nH]1	ZINC000358961167	144188326	/nfs/dbraw/zinc/18/83/26/144188326.db2.gz	UNVJPRWDNPSPOG-UHFFFAOYSA-N	-1	0	267.270	0.633	20	30		CCEDRM
Cc1[nH]c(C#N)cc1C(=O)[N-]S(=O)(=O)C1CCC1	ZINC000408490409	144476773	/nfs/dbraw/zinc/47/67/73/144476773.db2.gz	AQYMLLNCCKBHFT-UHFFFAOYSA-N	-1	0	267.310	0.807	20	30		CCEDRM
C=CCC[C@@H](NC(=O)Cc1ccn(CC)n1)C(=O)[O-]	ZINC000649473248	397617004	/nfs/dbraw/zinc/61/70/04/397617004.db2.gz	UEPUVEHZWFPDPN-LLVKDONJSA-N	-1	0	265.313	0.981	20	30		CCEDRM
C=CCOC[C@H](NC(=O)C[C@@H](C)[C@@H]1CCCO1)C(=O)[O-]	ZINC000659156549	413317900	/nfs/dbraw/zinc/31/79/00/413317900.db2.gz	NAQIQNOVMOFOIF-WOPDTQHZSA-N	-1	0	285.340	0.964	20	30		CCEDRM
COCCN(CC(=O)[O-])C(=O)c1ccc(C#N)cc1	ZINC000049606058	411673979	/nfs/dbraw/zinc/67/39/79/411673979.db2.gz	YPOSJETVKIKEDT-UHFFFAOYSA-N	-1	0	262.265	0.731	20	30		CCEDRM
C=CCNC(=O)CNC(=O)[C@H](C(=O)[O-])C1CCCC1	ZINC000663042008	414960808	/nfs/dbraw/zinc/96/08/08/414960808.db2.gz	MRJAFGFQZHKTOA-LLVKDONJSA-N	-1	0	268.313	0.296	20	30		CCEDRM
C=CCCN(C)C(=O)C(=O)NC[C@@H](C(=O)[O-])C1CCC1	ZINC000663634651	415101211	/nfs/dbraw/zinc/10/12/11/415101211.db2.gz	OKDDPEMYCYMUFL-LLVKDONJSA-N	-1	0	282.340	0.638	20	30		CCEDRM
Cc1cc(=NC(=O)c2ncccc2[O-])[nH]n1CCC#N	ZINC000350622058	227041967	/nfs/dbraw/zinc/04/19/67/227041967.db2.gz	XHODQFJHNSSHDU-UHFFFAOYSA-N	-1	0	271.280	0.880	20	30		CCEDRM
Cc1cc(NC(=O)NCc2n[nH]c(=O)[n-]2)nn1CCC#N	ZINC000611481574	420495186	/nfs/dbraw/zinc/49/51/86/420495186.db2.gz	RRMSIORCUQAEMU-UHFFFAOYSA-N	-1	0	290.287	0.251	20	30		CCEDRM
CCC(=O)N1CCCC[C@@H]1C(=O)[N-]S(C)(=O)=O	ZINC000073086971	260165069	/nfs/dbraw/zinc/16/50/69/260165069.db2.gz	NWGXMOASZXOHKY-MRVPVSSYSA-N	-1	0	262.331	0.694	20	30		CCEDRM
O=C([N-]S(=O)(=O)c1cccs1)[C@H]1COCCO1	ZINC000048450031	260655436	/nfs/dbraw/zinc/65/54/36/260655436.db2.gz	MAUJQRMDNGNBSH-SSDOTTSWSA-N	-1	0	277.323	0.809	20	30		CCEDRM
C=CC(C)(C)C(=O)[N-]S(=O)(=O)[C@@H]1CCCOC1	ZINC000408502057	260910643	/nfs/dbraw/zinc/91/06/43/260910643.db2.gz	YVTJWCYASTUVHA-SECBINFHSA-N	-1	0	261.343	0.824	20	30		CCEDRM
N#CC1(CS(=O)(=O)N[C@H]2C=C[C@H](C(=O)[O-])C2)CC1	ZINC000275054214	263032405	/nfs/dbraw/zinc/03/24/05/263032405.db2.gz	SUOQVAYNDQPRJS-IUCAKERBSA-N	-1	0	270.310	0.239	20	30		CCEDRM
Cn1nnc(Cn2[n-]c(C(C)(C)C)c(CCC#N)c2=O)n1	ZINC000289361270	263109393	/nfs/dbraw/zinc/10/93/93/263109393.db2.gz	ISWVHWJNQHUFCZ-UHFFFAOYSA-N	-1	0	289.343	0.914	20	30		CCEDRM
CCCc1nc(=NC(=O)N[C@@H](C)C(=O)NCC)s[n-]1	ZINC000330866027	264057622	/nfs/dbraw/zinc/05/76/22/264057622.db2.gz	VBPSRRBQNWVPKM-ZETCQYMHSA-N	-1	0	285.373	0.763	20	30		CCEDRM
C=CC[C@@H](NS(=O)(=O)N(CC)CC)C(=O)[O-]	ZINC000127539067	264255938	/nfs/dbraw/zinc/25/59/38/264255938.db2.gz	MXEACKMLDUUQPE-MRVPVSSYSA-N	-1	0	250.320	0.192	20	30		CCEDRM
C=C[C@@H](C)[N-]S(=O)(=O)c1scnc1C(=O)OC	ZINC000161816979	264299764	/nfs/dbraw/zinc/29/97/64/264299764.db2.gz	AEUAIAOAWXCJDP-ZCFIWIBFSA-N	-1	0	276.339	0.783	20	30		CCEDRM
C=C[C@@H](C)NC(=O)N=c1[n-]nc(CCC(=O)OC)s1	ZINC000362679307	267034784	/nfs/dbraw/zinc/03/47/84/267034784.db2.gz	JNRLUYMNHWNWQG-SSDOTTSWSA-N	-1	0	284.341	0.762	20	30		CCEDRM
C=CCC(CC=C)C(=O)N1CCO[C@@H](c2nnn[n-]2)C1	ZINC000370449394	267319910	/nfs/dbraw/zinc/31/99/10/267319910.db2.gz	KHISYKMRXLZWAD-LLVKDONJSA-N	-1	0	277.328	0.868	20	30		CCEDRM
Cc1cc(C(=O)Nc2nc(C#N)c(C#N)[n-]2)nn1C	ZINC000340550382	280373337	/nfs/dbraw/zinc/37/33/37/280373337.db2.gz	JTVXGIOOKPGMHB-UHFFFAOYSA-N	-1	0	255.241	0.447	20	30		CCEDRM
Cn1ncc2c1C[C@H](C(=O)Nc1nc(C#N)c(C#N)[n-]1)CC2	ZINC000431312767	303059105	/nfs/dbraw/zinc/05/91/05/303059105.db2.gz	LTCKNEGSAUJPTR-MRVPVSSYSA-N	-1	0	295.306	0.630	20	30		CCEDRM
C=C(C)CS(=O)(=O)N1C[C@H](OC)C[C@@H]1CC(=O)[O-]	ZINC000580188075	327725514	/nfs/dbraw/zinc/72/55/14/327725514.db2.gz	MTJJQKJQQWHKBD-NXEZZACHSA-N	-1	0	277.342	0.456	20	30		CCEDRM
C[C@]1(C(=O)[O-])CCCN1S(=O)(=O)CC1(C#N)CC1	ZINC000526060898	327891813	/nfs/dbraw/zinc/89/18/13/327891813.db2.gz	LWHBAJHWZXKCPB-SNVBAGLBSA-N	-1	0	272.326	0.559	20	30		CCEDRM
CCN([C@H](C)CC(=O)[O-])S(=O)(=O)N(C)C[C@@H](C)C#N	ZINC000570971302	327967136	/nfs/dbraw/zinc/96/71/36/327967136.db2.gz	CNNRFMCGCHESFN-VHSXEESVSA-N	-1	0	291.373	0.508	20	30		CCEDRM
C=C[C@@H](CO)N=c1[n-]nc(C2CCOCC2)s1	ZINC000338727108	327988519	/nfs/dbraw/zinc/98/85/19/327988519.db2.gz	WCOVYUGBSYESJL-VIFPVBQESA-N	-1	0	255.343	0.813	20	30		CCEDRM
C=CCNS(=O)(=O)c1cc(CC(=O)[O-])ccc1OC	ZINC000568007424	328008824	/nfs/dbraw/zinc/00/88/24/328008824.db2.gz	LKIRPWLKRRIPQU-UHFFFAOYSA-N	-1	0	285.321	0.787	20	30		CCEDRM
C=CCN(CC(=O)[O-])S(=O)(=O)[C@@H]1CCO[C@H](C)C1	ZINC000563532184	328072120	/nfs/dbraw/zinc/07/21/20/328072120.db2.gz	KBGFYWOIBBYKRW-NXEZZACHSA-N	-1	0	277.342	0.456	20	30		CCEDRM
C[C@@H](C#N)CNS(=O)(=O)c1cccc(CC(=O)[O-])c1	ZINC000571215277	328092424	/nfs/dbraw/zinc/09/24/24/328092424.db2.gz	NOSBUPVIZZAEBW-VIFPVBQESA-N	-1	0	282.321	0.752	20	30		CCEDRM
C=CCCCS(=O)(=O)N(C)[C@H](COC)C(=O)[O-]	ZINC000571499295	328128773	/nfs/dbraw/zinc/12/87/73/328128773.db2.gz	FWOQMBHJRGOQNG-SECBINFHSA-N	-1	0	265.331	0.314	20	30		CCEDRM
CS(=O)(=O)[N-]C(=O)c1c[nH]c(C(=O)N2CCCC2)c1	ZINC000048619233	327279383	/nfs/dbraw/zinc/27/93/83/327279383.db2.gz	GTYIVECGMQYZFN-UHFFFAOYSA-N	-1	0	285.325	0.515	20	30		CCEDRM
C=CC[C@H](CC)NC(=O)N[C@]1(C(=O)[O-])CCOC1	ZINC000393763363	329089457	/nfs/dbraw/zinc/08/94/57/329089457.db2.gz	PTVBKZAQXHZIIB-JOYOIKCWSA-N	-1	0	256.302	0.884	20	30		CCEDRM
C=C(C)CN(C)C(=O)c1c[nH]c2nc(=O)[n-]c(=O)c-2c1	ZINC000183041767	329246584	/nfs/dbraw/zinc/24/65/84/329246584.db2.gz	UYJCCMISMAOBKS-UHFFFAOYSA-N	-1	0	274.280	0.260	20	30		CCEDRM
C[C@@H](C(=O)[O-])C1CN(S(=O)(=O)CC2(C#N)CC2)C1	ZINC000530367809	329359731	/nfs/dbraw/zinc/35/97/31/329359731.db2.gz	YKBVPRHEFQHGTK-MRVPVSSYSA-N	-1	0	272.326	0.272	20	30		CCEDRM
C=CCCn1cc(C(=O)N2C[C@@H](C)O[C@@H](C(=O)[O-])C2)nn1	ZINC000425240052	329646867	/nfs/dbraw/zinc/64/68/67/329646867.db2.gz	LKHGIEXAOMRNSC-MWLCHTKSSA-N	-1	0	294.311	0.168	20	30		CCEDRM
C=CCn1cc(CNC(=O)C2CCC(C(=O)[O-])CC2)nn1	ZINC000425251393	329650637	/nfs/dbraw/zinc/65/06/37/329650637.db2.gz	HGECRTJYVWMVAB-UHFFFAOYSA-N	-1	0	292.339	0.971	20	30		CCEDRM
C=CCCOCCNC(=O)C(=O)N1CC[C@](C)(C(=O)[O-])C1	ZINC000420560428	329774642	/nfs/dbraw/zinc/77/46/42/329774642.db2.gz	MJXBERHZZRZHGM-AWEZNQCLSA-N	-1	0	298.339	0.019	20	30		CCEDRM
C[C@H](CN(C)S(=O)(=O)CCCCC#N)C(=O)[O-]	ZINC000262389281	330012303	/nfs/dbraw/zinc/01/23/03/330012303.db2.gz	IFVSMNOUSDJIHM-SECBINFHSA-N	-1	0	262.331	0.663	20	30		CCEDRM
C=CCC[C@@H](NC(=O)[C@H](C)NC(=O)c1ccoc1)C(=O)[O-]	ZINC000262912462	330036707	/nfs/dbraw/zinc/03/67/07/330036707.db2.gz	NHXQJUZJHDDUFZ-GXSJLCMTSA-N	-1	0	294.307	0.934	20	30		CCEDRM
C=CCOC[C@@H](NC(=O)CSCCC)C(=O)[O-]	ZINC000262932502	330037224	/nfs/dbraw/zinc/03/72/24/330037224.db2.gz	HBMQQCQJYZVDGW-SECBINFHSA-N	-1	0	261.343	0.902	20	30		CCEDRM
C=CCOC[C@@H](NC(=O)[C@@H]1CCCCO1)C(=O)[O-]	ZINC000262949871	330037503	/nfs/dbraw/zinc/03/75/03/330037503.db2.gz	IJNNQGRGVGFQDG-ZJUUUORDSA-N	-1	0	257.286	0.328	20	30		CCEDRM
C=CCOC[C@H](NC(=O)C[C@@H]1CCCO1)C(=O)[O-]	ZINC000263064377	330041805	/nfs/dbraw/zinc/04/18/05/330041805.db2.gz	QVRWDSRFCMAHEJ-UWVGGRQHSA-N	-1	0	257.286	0.328	20	30		CCEDRM
C=CCOC[C@H](NC(=O)CC[C@@H]1CCCO1)C(=O)[O-]	ZINC000263124471	330044746	/nfs/dbraw/zinc/04/47/46/330044746.db2.gz	VPGKDAHYBDERMZ-QWRGUYRKSA-N	-1	0	271.313	0.718	20	30		CCEDRM
CCC[C@@H](NS(=O)(=O)N(C)[C@@H](C)CC#N)C(=O)[O-]	ZINC000263516173	330058622	/nfs/dbraw/zinc/05/86/22/330058622.db2.gz	ZZZGUTCJBQNIAQ-DTWKUNHWSA-N	-1	0	277.346	0.308	20	30		CCEDRM
CCN(CCC#N)S(=O)(=O)N[C@@H](C(=O)[O-])C(C)C	ZINC000263542707	330059152	/nfs/dbraw/zinc/05/91/52/330059152.db2.gz	DWCPFEDRZBSWRR-SECBINFHSA-N	-1	0	277.346	0.166	20	30		CCEDRM
CC(C)[C@H](NS(=O)(=O)N(C)[C@@H](C)CC#N)C(=O)[O-]	ZINC000263553322	330059381	/nfs/dbraw/zinc/05/93/81/330059381.db2.gz	MLTDRJVDTODAAF-IUCAKERBSA-N	-1	0	277.346	0.164	20	30		CCEDRM
CCN(C[C@@H](C)C#N)S(=O)(=O)N[C@H](C(=O)[O-])C(C)C	ZINC000263552009	330059437	/nfs/dbraw/zinc/05/94/37/330059437.db2.gz	LOEFMWLCVQUCPH-UWVGGRQHSA-N	-1	0	291.373	0.412	20	30		CCEDRM
CC[C@H](C)[C@H](NS(=O)(=O)N(C)[C@H](C)CC#N)C(=O)[O-]	ZINC000263569754	330062126	/nfs/dbraw/zinc/06/21/26/330062126.db2.gz	ZRFMNEYOWXTYKI-AEJSXWLSSA-N	-1	0	291.373	0.554	20	30		CCEDRM
C=CCCCN(C)C(=O)C(=O)N(C)C[C@H](C)C(=O)[O-]	ZINC000422833737	330156950	/nfs/dbraw/zinc/15/69/50/330156950.db2.gz	MVFVJRDCFQOBRA-JTQLQIEISA-N	-1	0	270.329	0.590	20	30		CCEDRM
C=C(C)CN(C)C(=O)C(=O)N1C[C@H](C)C[C@@H](C(=O)[O-])C1	ZINC000422859653	330157800	/nfs/dbraw/zinc/15/78/00/330157800.db2.gz	KPUBPWJMQYNTBM-GHMZBOCLSA-N	-1	0	282.340	0.590	20	30		CCEDRM
C=CCCn1cc(C(=O)N2CC[C@@H](C(=O)[O-])C2)nn1	ZINC000424229193	330330808	/nfs/dbraw/zinc/33/08/08/330330808.db2.gz	WLNLIMSMZWAMAF-SECBINFHSA-N	-1	0	264.285	0.401	20	30		CCEDRM
C=CCC[C@@H](CO)NC(=O)N=c1[n-]nc2ccccn21	ZINC000454734727	331152558	/nfs/dbraw/zinc/15/25/58/331152558.db2.gz	AQHISLLDRBYHTR-JTQLQIEISA-N	-1	0	275.312	0.600	20	30		CCEDRM
C#C[C@H](C)N(C)C(=O)c1cc(C)c2c(=O)[n-]c(=O)nc-2[nH]1	ZINC000491537481	332232562	/nfs/dbraw/zinc/23/25/62/332232562.db2.gz	RBNUOYOXVPLVJH-QMMMGPOBSA-N	-1	0	286.291	0.838	20	30		CCEDRM
C#CCNC(=O)c1ccc(N[C@H](CC)C(=O)[O-])nc1	ZINC000491625595	332249326	/nfs/dbraw/zinc/24/93/26/332249326.db2.gz	IRTUXOHWXYRZFS-SNVBAGLBSA-N	-1	0	261.281	0.720	20	30		CCEDRM
C#C[C@@H]1COCCN1C(=O)N=c1[n-]nc(C)s1	ZINC000491627845	332251147	/nfs/dbraw/zinc/25/11/47/332251147.db2.gz	MTRSJIJELSFKJG-MRVPVSSYSA-N	-1	0	252.299	0.134	20	30		CCEDRM
C#C[C@@H](NC(=O)c1n[nH]c(=O)[n-]1)c1ccc(F)cc1	ZINC000491641623	332261014	/nfs/dbraw/zinc/26/10/14/332261014.db2.gz	RQFVXZNJRPEJEI-SECBINFHSA-N	-1	0	260.228	0.754	20	30		CCEDRM
N#CCCCS(=O)(=O)[N-]C(=O)/C=C\c1ccc[nH]1	ZINC000492866118	332416769	/nfs/dbraw/zinc/41/67/69/332416769.db2.gz	PRYUAYZQFNMRNX-WAYWQWQTSA-N	-1	0	267.310	0.778	20	30		CCEDRM
C#CCCS(=O)(=O)[N-]C(=O)/C=C/C1CCOCC1	ZINC000493220727	332430978	/nfs/dbraw/zinc/43/09/78/332430978.db2.gz	KLCQEILNKHYLNO-SNAWJCMRSA-N	-1	0	271.338	0.439	20	30		CCEDRM
C=CCS(=O)(=O)[N-]C(=O)/C=C/c1ccn(C)c1	ZINC000493532482	332444006	/nfs/dbraw/zinc/44/40/06/332444006.db2.gz	VATCAWPNJNWUGR-SNAWJCMRSA-N	-1	0	254.311	0.670	20	30		CCEDRM
C=C[C@H](CCC(=O)[O-])NS(=O)(=O)N1CCC[C@@H](C)C1	ZINC000516627603	332996028	/nfs/dbraw/zinc/99/60/28/332996028.db2.gz	NMZATWCODDEGLE-GHMZBOCLSA-N	-1	0	290.385	0.972	20	30		CCEDRM
C=C[C@H](CCC(=O)[O-])NS(=O)(=O)N(CC)CC	ZINC000521977244	333228920	/nfs/dbraw/zinc/22/89/20/333228920.db2.gz	RZXXOKITVRTVDG-SECBINFHSA-N	-1	0	264.347	0.582	20	30		CCEDRM
C=CCS(=O)(=O)[N-]C(=O)[C@@H]1[C@H](C)O[C@H](C)[C@H]1C	ZINC000528974649	333467066	/nfs/dbraw/zinc/46/70/66/333467066.db2.gz	XVXMVGFDCYXMEP-IMSYWVGJSA-N	-1	0	261.343	0.678	20	30		CCEDRM
C=CCN(CC(=O)[O-])S(=O)(=O)c1ccc(N)cc1	ZINC000548232392	334147004	/nfs/dbraw/zinc/14/70/04/334147004.db2.gz	PDVJUSHYNFGVBB-UHFFFAOYSA-N	-1	0	270.310	0.530	20	30		CCEDRM
C[C@H](CCNS(=O)(=O)N(C)CCC#N)CC(=O)[O-]	ZINC000548267912	334147715	/nfs/dbraw/zinc/14/77/15/334147715.db2.gz	STPQUEHPAPTJCR-SECBINFHSA-N	-1	0	277.346	0.167	20	30		CCEDRM
COCCN([C@@H](C)C(=O)[O-])S(=O)(=O)CCCC#N	ZINC000548572014	334162741	/nfs/dbraw/zinc/16/27/41/334162741.db2.gz	HXYXPINSMJAJHA-VIFPVBQESA-N	-1	0	278.330	0.041	20	30		CCEDRM
C[C@H](NS(=O)(=O)CC1(CC#N)CC1)[C@H](C)C(=O)[O-]	ZINC000565056730	334536888	/nfs/dbraw/zinc/53/68/88/334536888.db2.gz	ZVXHLXNFDHSNGB-IUCAKERBSA-N	-1	0	274.342	0.709	20	30		CCEDRM
C=CCC[C@@H](NC(=O)c1cc(COC)on1)C(=O)[O-]	ZINC000263009219	334583277	/nfs/dbraw/zinc/58/32/77/334583277.db2.gz	XATFNTOOZGWQDL-SECBINFHSA-N	-1	0	268.269	0.970	20	30		CCEDRM
N#CCCCS(=O)(=O)N[C@H]1CCCC[C@H]1C(=O)[O-]	ZINC000567885272	334771636	/nfs/dbraw/zinc/77/16/36/334771636.db2.gz	HDSURBRAFZREEK-ZJUUUORDSA-N	-1	0	274.342	0.853	20	30		CCEDRM
CC[C@H](CCC(=O)[O-])NS(=O)(=O)CCCC#N	ZINC000576443156	335203828	/nfs/dbraw/zinc/20/38/28/335203828.db2.gz	NVRLBCAEVLEIFG-SECBINFHSA-N	-1	0	262.331	0.853	20	30		CCEDRM
CNC(=O)CCSCc1cc(=O)n2[n-]cc(C#N)c2n1	ZINC000580650572	335311590	/nfs/dbraw/zinc/31/15/90/335311590.db2.gz	KNPXNWPOEHTMRS-UHFFFAOYSA-N	-1	0	291.336	0.676	20	30		CCEDRM
CC1(C)CCC[C@@H](n2c(=O)[n-]cc(C#N)c2=O)C1=O	ZINC000578069769	335478092	/nfs/dbraw/zinc/47/80/92/335478092.db2.gz	WKOQIZFRFRTFMP-SECBINFHSA-N	-1	0	261.281	0.729	20	30		CCEDRM
C=CCn1cc(CNC(=O)N2CCC(C(=O)[O-])CC2)nn1	ZINC000578349968	335617126	/nfs/dbraw/zinc/61/71/26/335617126.db2.gz	YXZKXJOMLSJXNJ-UHFFFAOYSA-N	-1	0	293.327	0.470	20	30		CCEDRM
Cc1ncc(S(=O)(=O)N[C@H](C)[C@@H](C)C(=O)[O-])cc1C#N	ZINC000383816616	336118068	/nfs/dbraw/zinc/11/80/68/336118068.db2.gz	CWFCSHGGKQEMNZ-HTQZYQBOSA-N	-1	0	297.336	0.649	20	30		CCEDRM
COCC[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)[O-]	ZINC000052785960	521858542	/nfs/dbraw/zinc/85/85/42/521858542.db2.gz	OJCHHROVHUVOHO-LLVKDONJSA-N	-1	0	298.320	0.326	20	30		CCEDRM
N#Cc1cccc(NCC(=O)N2CC[C@@H](C(=O)[O-])C2)c1	ZINC000427972507	534808355	/nfs/dbraw/zinc/80/83/55/534808355.db2.gz	BDRRZWBYLZTFBC-LLVKDONJSA-N	-1	0	273.292	0.903	20	30		CCEDRM
C=C(C)[C@@H]1OCC[C@H]1CNC(=O)N1CCO[C@@H](C(=O)[O-])C1	ZINC000666544993	545125351	/nfs/dbraw/zinc/12/53/51/545125351.db2.gz	FZAGPZIRUSAOGW-TUAOUCFPSA-N	-1	0	298.339	0.463	20	30		CCEDRM
C=CCOC[C@@H](NC(=O)[C@H](OC)C1CCC1)C(=O)[O-]	ZINC000668290394	545171393	/nfs/dbraw/zinc/17/13/93/545171393.db2.gz	PWOJONKMFSZEJD-GHMZBOCLSA-N	-1	0	271.313	0.574	20	30		CCEDRM
C=CCOC[C@H](NC(=O)[C@H](OC)[C@@H](C)CC)C(=O)[O-]	ZINC000668289987	545171440	/nfs/dbraw/zinc/17/14/40/545171440.db2.gz	IAECUQOLXNSVSR-GARJFASQSA-N	-1	0	273.329	0.820	20	30		CCEDRM
C=CCOCCCC(=O)N[C@H](C(=O)[O-])C1CCOCC1	ZINC000668307589	545172392	/nfs/dbraw/zinc/17/23/92/545172392.db2.gz	ITBRHUQNNOVRJH-ZDUSSCGKSA-N	-1	0	285.340	0.965	20	30		CCEDRM
CCCc1n[n-]c(=NC(=O)N[C@H]2[C@@H]3COC[C@@H]32)s1	ZINC000330027936	528678799	/nfs/dbraw/zinc/67/87/99/528678799.db2.gz	NVLABWGWQYVCHL-QMSLJYSESA-N	-1	0	268.342	0.883	20	30		CCEDRM
CCN(CC)S(=O)(=O)c1ccc([O-])c(C(=O)NO)c1	ZINC000671995079	545261469	/nfs/dbraw/zinc/26/14/69/545261469.db2.gz	DHWZIDRYGHALQM-UHFFFAOYSA-N	-1	0	288.325	0.542	20	30		CCEDRM
C=CCCOCC(=O)N1CCC[C@H](c2nnn[n-]2)C1	ZINC000677928180	545377413	/nfs/dbraw/zinc/37/74/13/545377413.db2.gz	TVBSWGKKBFYNMR-JTQLQIEISA-N	-1	0	265.317	0.498	20	30		CCEDRM
C=CCCOCC(=O)N[C@](C)(COC)CC(=O)[O-]	ZINC000678987868	545400843	/nfs/dbraw/zinc/40/08/43/545400843.db2.gz	FEETYCPLVPEMDX-LBPRGKRZSA-N	-1	0	259.302	0.575	20	30		CCEDRM
CC#CC[C@H](NS(=O)(=O)CC[C@H]1CCCO1)C(=O)[O-]	ZINC000681579714	545456794	/nfs/dbraw/zinc/45/67/94/545456794.db2.gz	RHDUUQHTFVRSOK-MNOVXSKESA-N	-1	0	289.353	0.342	20	30		CCEDRM
C=CCS(=O)(=O)[N-]C(=O)CC1(C(=O)OCC)CCC1	ZINC000789404094	581147401	/nfs/dbraw/zinc/14/74/01/581147401.db2.gz	FCLIOSATMQIITH-UHFFFAOYSA-N	-1	0	289.353	0.742	20	30		CCEDRM
N#CCc1ccccc1CC(=O)NCc1nnn[n-]1	ZINC000777395448	581114289	/nfs/dbraw/zinc/11/42/89/581114289.db2.gz	BDOSRZSLNUNASO-UHFFFAOYSA-N	-1	0	256.269	0.125	20	30		CCEDRM
C=C(C)CN(C)C(=O)Cn1[n-]cc2c(=O)ncnc1-2	ZINC000778125746	581142657	/nfs/dbraw/zinc/14/26/57/581142657.db2.gz	FTDBRLKHVDQXET-UHFFFAOYSA-N	-1	0	261.285	0.106	20	30		CCEDRM
N#CCN(CC(=O)[O-])C(=O)[C@@H]1CCCN(C(=O)C2CC2)C1	ZINC000739077027	581171489	/nfs/dbraw/zinc/17/14/89/581171489.db2.gz	GMKKAXYITTVUHH-LLVKDONJSA-N	-1	0	293.323	0.072	20	30		CCEDRM
C[C@@H](CCNC(=O)N1CCC(C#N)CC1)NC(=O)[O-]	ZINC000738896587	581172736	/nfs/dbraw/zinc/17/27/36/581172736.db2.gz	FVZTWFQEUQBOAH-VIFPVBQESA-N	-1	0	268.317	0.978	20	30		CCEDRM
N#CCN(CC(=O)[O-])C(=O)c1noc2c1CCCC2	ZINC000739085627	581174986	/nfs/dbraw/zinc/17/49/86/581174986.db2.gz	JFTWAZLMNBBVQD-UHFFFAOYSA-N	-1	0	263.253	0.604	20	30		CCEDRM
N#CCOc1ccccc1C(=O)NCCc1nc(=O)o[n-]1	ZINC000790077639	581176001	/nfs/dbraw/zinc/17/60/01/581176001.db2.gz	VOYDKDRAAQNUFL-UHFFFAOYSA-N	-1	0	288.263	0.238	20	30		CCEDRM
COCCNC(=O)C(C#N)=C([O-])c1ccnc(SC)c1	ZINC000779196888	581176608	/nfs/dbraw/zinc/17/66/08/581176608.db2.gz	JGXRBHSAKFIOJR-SNVBAGLBSA-N	-1	0	293.348	0.889	20	30		CCEDRM
CC#CCS(=O)(=O)[N-]C(=O)CCc1c(C)nn(C)c1C	ZINC000791111769	581207747	/nfs/dbraw/zinc/20/77/47/581207747.db2.gz	YSIARNLOSPRICP-UHFFFAOYSA-N	-1	0	297.380	0.439	20	30		CCEDRM
CC#CCS(=O)(=O)[N-]C(=O)[C@H](C)OC[C@H]1CCCO1	ZINC000791105819	581207779	/nfs/dbraw/zinc/20/77/79/581207779.db2.gz	DUUZYYZXCMTYBJ-WDEREUQCSA-N	-1	0	289.353	0.040	20	30		CCEDRM
C#CCCCCCC(=O)[N-]S(=O)(=O)[C@@H]1CCOC1	ZINC000780374273	581226421	/nfs/dbraw/zinc/22/64/21/581226421.db2.gz	RVGJMKWYFUIEKH-LLVKDONJSA-N	-1	0	273.354	0.805	20	30		CCEDRM
COCCN(CC(=O)NC1(C#N)CCC1)C(=O)[O-]	ZINC000739818703	581239780	/nfs/dbraw/zinc/23/97/80/581239780.db2.gz	LMRZNRZPBCCRSL-UHFFFAOYSA-N	-1	0	255.274	0.175	20	30		CCEDRM
CC[C@@H](NN=C(C)Cn1ccccc1=O)C(=O)[O-]	ZINC000793059105	581282851	/nfs/dbraw/zinc/28/28/51/581282851.db2.gz	YLWJFAHTUVUIHG-SNVBAGLBSA-N	-1	0	251.286	0.677	20	30		CCEDRM
C[C@@H]1C[C@@H](C(=O)[N-]S(=O)(=O)CC2(C#N)CC2)CCO1	ZINC000793195856	581287768	/nfs/dbraw/zinc/28/77/68/581287768.db2.gz	GMFQVXIJSAWTMJ-ZJUUUORDSA-N	-1	0	286.353	0.551	20	30		CCEDRM
C[C@H]1COCC[C@H]1C(=O)[N-]S(=O)(=O)CC1(C#N)CC1	ZINC000793195595	581287805	/nfs/dbraw/zinc/28/78/05/581287805.db2.gz	MTPVQYYMXOUDKZ-VHSXEESVSA-N	-1	0	286.353	0.409	20	30		CCEDRM
N#CC1(CS(=O)(=O)[N-]C(=O)Cc2cccnc2)CC1	ZINC000793195641	581287808	/nfs/dbraw/zinc/28/78/08/581287808.db2.gz	NCMKWFFVOGEFDW-UHFFFAOYSA-N	-1	0	279.321	0.374	20	30		CCEDRM
N#CC1(CS(=O)(=O)[N-]C(=O)[C@H]2CC2(Cl)Cl)CC1	ZINC000793194069	581287868	/nfs/dbraw/zinc/28/78/68/581287868.db2.gz	FNQSMECMKMKMNT-ZCFIWIBFSA-N	-1	0	297.163	0.930	20	30		CCEDRM
CCCCO[C@@H](C)C(=O)[N-]S(=O)(=O)CC1(C#N)CC1	ZINC000793202773	581288181	/nfs/dbraw/zinc/28/81/81/581288181.db2.gz	BNGPQBLSLLDJKS-JTQLQIEISA-N	-1	0	288.369	0.941	20	30		CCEDRM
CC(C)(C)OCC(=O)[N-]S(=O)(=O)CC1(C#N)CC1	ZINC000793201823	581288194	/nfs/dbraw/zinc/28/81/94/581288194.db2.gz	SFZZMQHUKITROD-UHFFFAOYSA-N	-1	0	274.342	0.551	20	30		CCEDRM
N#CC1(CS(=O)(=O)[N-]C(=O)[C@H]2C[C@@H]2C(F)F)CC1	ZINC000793212712	581288521	/nfs/dbraw/zinc/28/85/21/581288521.db2.gz	SZDQWTORTUDPKO-BQBZGAKWSA-N	-1	0	278.280	0.637	20	30		CCEDRM
N#Cc1ccc([C@H](C(N)=O)N2CCC[C@@H](C(=O)[O-])C2)cc1	ZINC000738430716	581318853	/nfs/dbraw/zinc/31/88/53/581318853.db2.gz	NTTPEMJFYCIZTA-CHWSQXEVSA-N	-1	0	287.319	0.881	20	30		CCEDRM
N#CCCn1ccc(NC(=O)[C@@H]2CSCN2C(=O)[O-])n1	ZINC000740308480	581323044	/nfs/dbraw/zinc/32/30/44/581323044.db2.gz	KIYYOCTUVXBBGL-QMMMGPOBSA-N	-1	0	295.324	0.788	20	30		CCEDRM
N#CC1(C(=O)NC[C@H]2CCCCN2C(=O)[O-])CCOCC1	ZINC000740309493	581323824	/nfs/dbraw/zinc/32/38/24/581323824.db2.gz	JUCMUZMWLPLIQN-LLVKDONJSA-N	-1	0	295.339	0.955	20	30		CCEDRM
C#CCCN1CCN(C(=O)[C@H](NC(=O)[O-])[C@H](C)CC)CC1	ZINC000738456931	581331082	/nfs/dbraw/zinc/33/10/82/581331082.db2.gz	GOWUGBLPBOZMCU-CHWSQXEVSA-N	-1	0	295.383	0.836	20	30		CCEDRM
C#CCCNC(=O)NC[C@@H]1CCCCN1C(=O)[O-]	ZINC000738457429	581331651	/nfs/dbraw/zinc/33/16/51/581331651.db2.gz	NNLVCICHEOMXFF-JTQLQIEISA-N	-1	0	253.302	0.841	20	30		CCEDRM
C=C[C@@](C)(CCOC)C(=O)[N-]S(=O)(=O)N(C)CC	ZINC000783097588	581335613	/nfs/dbraw/zinc/33/56/13/581335613.db2.gz	KBFKGJDCRHCJLE-NSHDSACASA-N	-1	0	278.374	0.528	20	30		CCEDRM
N#Cc1nc(NC(=O)c2cc[nH]c2)[n-]c1-c1nn[nH]n1	ZINC000737706203	581342336	/nfs/dbraw/zinc/34/23/36/581342336.db2.gz	WPMHMMORCPRLMA-UHFFFAOYSA-N	-1	0	269.228	0.042	20	30		CCEDRM
C#CCOc1ccccc1CNC(=O)[C@H](C)NC(=O)[O-]	ZINC000738471064	581344314	/nfs/dbraw/zinc/34/43/14/581344314.db2.gz	VTBFZJIZCWCAAI-JTQLQIEISA-N	-1	0	276.292	0.971	20	30		CCEDRM
C=CCOCC(=O)NC[C@@H]1CCCN(C(=O)[O-])C1	ZINC000738490375	581360353	/nfs/dbraw/zinc/36/03/53/581360353.db2.gz	ABJPMBZDTSWQIR-JTQLQIEISA-N	-1	0	256.302	0.695	20	30		CCEDRM
O=C([O-])C1CCC(N=Nc2nc3[nH][nH]cc-3c(=O)n2)CC1	ZINC000738531972	581376159	/nfs/dbraw/zinc/37/61/59/581376159.db2.gz	RHZXVXCLFYGPJS-UHFFFAOYSA-N	-1	0	290.283	0.475	20	30		CCEDRM
COC[C@H](C#N)OC(=O)c1ccccc1[N-]S(C)(=O)=O	ZINC000785074596	581401029	/nfs/dbraw/zinc/40/10/29/581401029.db2.gz	GXOKJHATURXTJU-VIFPVBQESA-N	-1	0	298.320	0.753	20	30		CCEDRM
N#CCCn1ccc([N-]S(=O)(=O)C[C@@H]2CCCOC2)n1	ZINC000795329667	581404037	/nfs/dbraw/zinc/40/40/37/581404037.db2.gz	VIWGIBGLPQBEJD-LLVKDONJSA-N	-1	0	298.368	0.965	20	30		CCEDRM
C=C[C@@](C)(CC)C(=O)N1CCO[C@@H](c2nnn[n-]2)C1	ZINC000785411119	581408270	/nfs/dbraw/zinc/40/82/70/581408270.db2.gz	IIGFATOLBUMORP-SKDRFNHKSA-N	-1	0	265.317	0.702	20	30		CCEDRM
CNC(=O)C(C#N)=C([O-])c1ccc2nc(C)n(C)c2c1	ZINC000796642533	581447089	/nfs/dbraw/zinc/44/70/89/581447089.db2.gz	GAHVZBRKBLMEFP-JTQLQIEISA-N	-1	0	270.292	0.950	20	30		CCEDRM
N#CC(C(=O)N1CCCC1)=C([O-])c1cnn2c1OCCC2	ZINC000796742683	581449497	/nfs/dbraw/zinc/44/94/97/581449497.db2.gz	WUNBLPWQVZIDEC-JTQLQIEISA-N	-1	0	288.307	0.610	20	30		CCEDRM
C=CCS(=O)(=O)[N-]C(=O)CCC(=O)c1cnn(C)c1	ZINC000796793053	581450941	/nfs/dbraw/zinc/45/09/41/581450941.db2.gz	NAMWKLQIZUALOS-UHFFFAOYSA-N	-1	0	285.325	0.015	20	30		CCEDRM
CC[C@](C)(OC)C(=O)[N-]S(=O)(=O)CCCC#N	ZINC000796813607	581451252	/nfs/dbraw/zinc/45/12/52/581451252.db2.gz	XPFYRINYKMQXNI-JTQLQIEISA-N	-1	0	262.331	0.551	20	30		CCEDRM
C=CCS(=O)(=O)[N-]C(=O)c1cnn(C(C)C)c1	ZINC000786966705	581454904	/nfs/dbraw/zinc/45/49/04/581454904.db2.gz	GFPZZSJJDZUNNY-UHFFFAOYSA-N	-1	0	257.315	0.710	20	30		CCEDRM
C=CCCOCC(=O)[N-]S(=O)(=O)CCC(F)(F)F	ZINC000797260901	581463098	/nfs/dbraw/zinc/46/30/98/581463098.db2.gz	DZWMFXYDUFKYLN-UHFFFAOYSA-N	-1	0	289.275	0.978	20	30		CCEDRM
N#CCSCC(=O)[N-]S(=O)(=O)CCC(F)(F)F	ZINC000797261264	581463151	/nfs/dbraw/zinc/46/31/51/581463151.db2.gz	IFNLPHFJNNTDPO-UHFFFAOYSA-N	-1	0	290.288	0.642	20	30		CCEDRM
N#Cc1cccnc1NCCOC(=O)[C@H]1C[C@@H]1C(=O)[O-]	ZINC000739141879	581510834	/nfs/dbraw/zinc/51/08/34/581510834.db2.gz	BSEWRURFDKESNY-UWVGGRQHSA-N	-1	0	275.264	0.629	20	30		CCEDRM
C[C@H]1OC(C)(C)N(C(=O)[O-])[C@H]1C(=O)N(C)CCC#N	ZINC000739196154	581521359	/nfs/dbraw/zinc/52/13/59/581521359.db2.gz	DPVHHTALJZXARE-RKDXNWHRSA-N	-1	0	269.301	0.862	20	30		CCEDRM
CS(=O)(=O)NN=Cc1[nH]nc2cc(C(=O)[O-])ccc12	ZINC000765584357	581526265	/nfs/dbraw/zinc/52/62/65/581526265.db2.gz	PUQANLPORLJUEH-UHFFFAOYSA-N	-1	0	282.281	0.144	20	30		CCEDRM
C#CCOCCNC(=O)c1cc(C#N)c(SC)[n-]c1=O	ZINC000753229527	581532351	/nfs/dbraw/zinc/53/23/51/581532351.db2.gz	CQHNHWNDCAWKFY-UHFFFAOYSA-N	-1	0	291.332	0.760	20	30		CCEDRM
CC[C@@H](C#N)OC(=O)Cc1c(C)nc2cc[n-]n2c1=O	ZINC000753423592	581539974	/nfs/dbraw/zinc/53/99/74/581539974.db2.gz	AWPAGTHNEYLGLU-VIFPVBQESA-N	-1	0	274.280	0.719	20	30		CCEDRM
COc1ncc(C([O-])=C(C#N)C(=O)N2CCCC2)cn1	ZINC000734079399	581542716	/nfs/dbraw/zinc/54/27/16/581542716.db2.gz	OUFYTEMFRCWOGA-SNVBAGLBSA-N	-1	0	274.280	0.430	20	30		CCEDRM
COCCCNC(=O)C(C#N)=C([O-])c1ccc(C)cn1	ZINC000753535108	581546474	/nfs/dbraw/zinc/54/64/74/581546474.db2.gz	WMBLRCHIKBFWBZ-NSHDSACASA-N	-1	0	275.308	0.865	20	30		CCEDRM
Cc1nnc([S-])n(N=C2C[C@H](C)N(C3CC3)C2)c1=O	ZINC000753956078	581566909	/nfs/dbraw/zinc/56/69/09/581566909.db2.gz	UEGOELSMLGTVGF-ZETCQYMHSA-N	-1	0	279.369	0.696	20	30		CCEDRM
COc1cc(C#N)ccc1S(=O)(=O)[N-]C(C)=O	ZINC000766989016	581591930	/nfs/dbraw/zinc/59/19/30/581591930.db2.gz	USFOYJGJSCXSFK-UHFFFAOYSA-N	-1	0	254.267	0.392	20	30		CCEDRM
C=CCOCC(=O)[N-]S(=O)(=O)c1cn(C(C)C)cn1	ZINC000767499175	581615599	/nfs/dbraw/zinc/61/55/99/581615599.db2.gz	RSGYIJGFTVARRT-UHFFFAOYSA-N	-1	0	287.341	0.472	20	30		CCEDRM
C=CCCCC(=O)[N-]S(=O)(=O)CCOCCOC	ZINC000768211701	581647889	/nfs/dbraw/zinc/64/78/89/581647889.db2.gz	SQUYFTMZDLABJQ-UHFFFAOYSA-N	-1	0	279.358	0.452	20	30		CCEDRM
CC#CCS(=O)(=O)[N-]C(=O)c1cc2c(s1)CCOC2	ZINC000788071959	581649996	/nfs/dbraw/zinc/64/99/96/581649996.db2.gz	RGBVOFAHHUZBLG-UHFFFAOYSA-N	-1	0	299.373	0.904	20	30		CCEDRM
CN(CCNS(=O)(=O)c1ccc(C#N)cc1)C(=O)[O-]	ZINC000739701251	581651357	/nfs/dbraw/zinc/65/13/57/581651357.db2.gz	PMNUHSDXRTZYHD-UHFFFAOYSA-N	-1	0	283.309	0.446	20	30		CCEDRM
CCC1(C(=O)[N-]S(=O)(=O)c2ccc(C#N)cc2)COC1	ZINC000756217211	581660267	/nfs/dbraw/zinc/66/02/67/581660267.db2.gz	KTCGDSYTHZTJRX-UHFFFAOYSA-N	-1	0	294.332	0.790	20	30		CCEDRM
N#CCCCCS(=O)(=O)NCCCNC(=O)[O-]	ZINC000740306403	581662941	/nfs/dbraw/zinc/66/29/41/581662941.db2.gz	GASMNHKZZVWPIE-UHFFFAOYSA-N	-1	0	263.319	0.257	20	30		CCEDRM
N#C[C@]1(NC(=O)[C@@H]2CCN(C(=O)[O-])C2)CCSC1	ZINC000740309143	581663503	/nfs/dbraw/zinc/66/35/03/581663503.db2.gz	DYMFZPDDMWYAEL-LDYMZIIASA-N	-1	0	269.326	0.502	20	30		CCEDRM
N#CC1(NC(=O)CC2CCN(C(=O)[O-])CC2)CC1	ZINC000740309492	581663823	/nfs/dbraw/zinc/66/38/23/581663823.db2.gz	JRXHVTQKLNZJGS-UHFFFAOYSA-N	-1	0	251.286	0.939	20	30		CCEDRM
N#CC1(NC(=O)[C@@H]2CCN(C(=O)[O-])C2)CCCC1	ZINC000740310466	581664110	/nfs/dbraw/zinc/66/41/10/581664110.db2.gz	TZWNKAQAJAJWDL-SECBINFHSA-N	-1	0	251.286	0.939	20	30		CCEDRM
N#Cc1nccnc1N1CCC[C@H](CNC(=O)[O-])C1	ZINC000740325571	581665991	/nfs/dbraw/zinc/66/59/91/581665991.db2.gz	VQLHYZLXBMHTAM-SECBINFHSA-N	-1	0	261.285	0.832	20	30		CCEDRM
C=C(C)[C@@H](CC(=O)[N-]S(=O)(=O)[C@H](C)COC)OCC	ZINC000756563733	581671948	/nfs/dbraw/zinc/67/19/48/581671948.db2.gz	QMSOHNGRLFTACE-GHMZBOCLSA-N	-1	0	293.385	0.839	20	30		CCEDRM
C=CCNC(=O)COC(=O)[C@@H](NC(=O)[O-])C(C)C	ZINC000736105743	581696934	/nfs/dbraw/zinc/69/69/34/581696934.db2.gz	HQKDJOIRUDXXDC-VIFPVBQESA-N	-1	0	258.274	0.124	20	30		CCEDRM
C=CCNC(=O)[C@H](C)OC(=O)CCCN(C)C(=O)[O-]	ZINC000736107233	581697512	/nfs/dbraw/zinc/69/75/12/581697512.db2.gz	VDGRNLCIMRMKML-VIFPVBQESA-N	-1	0	272.301	0.610	20	30		CCEDRM
C#CCSCCNC(=S)NCCCC(=O)[O-]	ZINC000736087778	581700101	/nfs/dbraw/zinc/70/01/01/581700101.db2.gz	KGQIHKRMUGRCPP-UHFFFAOYSA-N	-1	0	260.384	0.682	20	30		CCEDRM
C=C(C)CN(CC)C(=O)COC(=O)CCNC(=O)[O-]	ZINC000736095122	581701640	/nfs/dbraw/zinc/70/16/40/581701640.db2.gz	JSFMYUDXCLSSRX-UHFFFAOYSA-N	-1	0	272.301	0.612	20	30		CCEDRM
COCCOCC(=O)O[C@H](C(=O)[O-])c1ccc(C#N)cc1	ZINC000737810971	581740227	/nfs/dbraw/zinc/74/02/27/581740227.db2.gz	BMNOTONSMACRGI-ZDUSSCGKSA-N	-1	0	293.275	0.890	20	30		CCEDRM
CC(C)(NC(=O)[O-])C(=O)NCCNc1ccc(C#N)cn1	ZINC000736331669	581741398	/nfs/dbraw/zinc/74/13/98/581741398.db2.gz	NEYWEWBXHDGSTD-UHFFFAOYSA-N	-1	0	291.311	0.528	20	30		CCEDRM
C[C@H](Oc1cccc(C=NN2C(=O)CNC2=O)c1)C(=O)[O-]	ZINC000770615904	581756260	/nfs/dbraw/zinc/75/62/60/581756260.db2.gz	JFIJUGQDSJFWQZ-QMMMGPOBSA-N	-1	0	291.263	0.424	20	30		CCEDRM
COc1cc(Cl)cc(C=NN2C(=O)CNC2=O)c1O	ZINC000758883391	581773359	/nfs/dbraw/zinc/77/33/59/581773359.db2.gz	KQAKXIYLHDWNJU-UHFFFAOYSA-N	-1	0	283.671	0.940	20	30		CCEDRM
N#Cc1ccc(C(=O)N2CCO[C@H](c3nnn[n-]3)C2)cc1	ZINC000731854920	581784175	/nfs/dbraw/zinc/78/41/75/581784175.db2.gz	LKEDFXYBMMKHAU-NSHDSACASA-N	-1	0	284.279	0.285	20	30		CCEDRM
CO[C@@H](C(=O)[N-]S(=O)(=O)CC1(C#N)CCC1)C(C)C	ZINC000771079433	581790325	/nfs/dbraw/zinc/79/03/25/581790325.db2.gz	LLAYTZIEMOHGGR-SNVBAGLBSA-N	-1	0	288.369	0.797	20	30		CCEDRM
Cn1cc(C(=O)[N-]S(=O)(=O)CC2(C#N)CCC2)cn1	ZINC000771079583	581790484	/nfs/dbraw/zinc/79/04/84/581790484.db2.gz	UFUYOCNZWSLOHT-UHFFFAOYSA-N	-1	0	282.325	0.174	20	30		CCEDRM
CC(C)([N-]C(=O)C(F)(F)F)C(=O)N1CC[C@](F)(C#N)C1	ZINC000759328263	581793648	/nfs/dbraw/zinc/79/36/48/581793648.db2.gz	QVZPTEGLNDQTGV-JTQLQIEISA-N	-1	0	295.236	0.908	20	30		CCEDRM
C[C@@H](NC(=O)OC(C)(C)C)C(=O)N(CC#N)CC(=O)[O-]	ZINC000736650407	581810969	/nfs/dbraw/zinc/81/09/69/581810969.db2.gz	OCCSKLOJYXWNNY-MRVPVSSYSA-N	-1	0	285.300	0.336	20	30		CCEDRM
N#Cc1ccc([O-])c(NC(=O)[C@@H](O)C2CCOCC2)c1	ZINC000759712964	581817155	/nfs/dbraw/zinc/81/71/55/581817155.db2.gz	CNIRCBAHRKSLHU-ZDUSSCGKSA-N	-1	0	276.292	0.990	20	30		CCEDRM
C[C@H](OC[C@H]1CCCCO1)C(=O)N(CC#N)CC(=O)[O-]	ZINC000736696275	581820702	/nfs/dbraw/zinc/82/07/02/581820702.db2.gz	JYGHHKMHZRVYQW-WDEREUQCSA-N	-1	0	284.312	0.397	20	30		CCEDRM
C[C@]1(c2ccc(C#N)cc2)NC(=O)N(CCC(=O)[O-])C1=O	ZINC000736737876	581827156	/nfs/dbraw/zinc/82/71/56/581827156.db2.gz	CXLPMYZLNUNBOY-CQSZACIVSA-N	-1	0	287.275	0.800	20	30		CCEDRM
Cc1c(C([O-])=C(C#N)C(=O)NC2CCCCC2)nnn1C	ZINC000744028351	581830417	/nfs/dbraw/zinc/83/04/17/581830417.db2.gz	GYTQICGXDTVHFG-LLVKDONJSA-N	-1	0	289.339	0.895	20	30		CCEDRM
C=CCCO[C@@H](C)C(=O)[N-]S(=O)(=O)N(C)CC	ZINC000744239152	581835582	/nfs/dbraw/zinc/83/55/82/581835582.db2.gz	QHGHGJMMZOZPIM-VIFPVBQESA-N	-1	0	264.347	0.280	20	30		CCEDRM
C=CCNC(=O)C(C#N)=C([O-])c1cnc2nccnc2c1	ZINC000760183528	581847885	/nfs/dbraw/zinc/84/78/85/581847885.db2.gz	MVIMBXPDZWZDMK-SNVBAGLBSA-N	-1	0	281.275	0.649	20	30		CCEDRM
COC(=O)c1coc(C([O-])=C(C#N)C(=O)NC2CC2)c1	ZINC000760183275	581848058	/nfs/dbraw/zinc/84/80/58/581848058.db2.gz	KRVMECFCOVNMPE-SECBINFHSA-N	-1	0	276.248	0.667	20	30		CCEDRM
C[C@H]1Oc2ccccc2O[C@@H]1C(=O)N(CC#N)CC(=O)[O-]	ZINC000736838430	581851125	/nfs/dbraw/zinc/85/11/25/581851125.db2.gz	SFWZJMAXQLJPBH-RNCFNFMXSA-N	-1	0	290.275	0.652	20	30		CCEDRM
C=CCS(=O)(=O)[N-]C(=O)[C@@H](C)c1cnn(C)c1	ZINC000772709995	581885110	/nfs/dbraw/zinc/88/51/10/581885110.db2.gz	KZGMYUZQNISBKP-QMMMGPOBSA-N	-1	0	257.315	0.156	20	30		CCEDRM
C=CCS(=O)(=O)[N-]C(=O)[C@H]1CC(=O)N(C(C)(C)C)C1	ZINC000772723804	581886703	/nfs/dbraw/zinc/88/67/03/581886703.db2.gz	TXUUMOMGDQCKIP-VIFPVBQESA-N	-1	0	288.369	0.265	20	30		CCEDRM
N#Cc1cc(C(=O)N2CCSC[C@H]2c2nnn[n-]2)c[nH]1	ZINC000773157577	581911229	/nfs/dbraw/zinc/91/12/29/581911229.db2.gz	FMGGTPNGIKGDRJ-VIFPVBQESA-N	-1	0	289.324	0.330	20	30		CCEDRM
Cc1n[nH]c(C)c1/C=C\C(=O)c1cnc([O-])n(C)c1=O	ZINC000761806071	581920630	/nfs/dbraw/zinc/92/06/30/581920630.db2.gz	REPHKPNYILQGBR-PLNGDYQASA-N	-1	0	274.280	0.722	20	30		CCEDRM
N#CCNC(=O)COC(=O)c1c(F)cc([O-])cc1F	ZINC000746985010	581929624	/nfs/dbraw/zinc/92/96/24/581929624.db2.gz	DBYAYTUIKYBZPW-UHFFFAOYSA-N	-1	0	270.191	0.467	20	30		CCEDRM
C=CCN(CC(=O)[O-])C(=O)CC1(CS(C)(=O)=O)CC1	ZINC000762047528	581929706	/nfs/dbraw/zinc/92/97/06/581929706.db2.gz	AIJADNAMJNVBLT-UHFFFAOYSA-N	-1	0	289.353	0.301	20	30		CCEDRM
C#CCCCCC(=O)[N-]S(=O)(=O)N(C)CCOC	ZINC000773789826	581941662	/nfs/dbraw/zinc/94/16/62/581941662.db2.gz	ZERRVGFKJFIAPZ-UHFFFAOYSA-N	-1	0	276.358	0.119	20	30		CCEDRM
CN(C(=O)COC(=O)C(C)(C)NC(=O)[O-])C(C)(C)C#N	ZINC000737322112	581944786	/nfs/dbraw/zinc/94/47/86/581944786.db2.gz	LEOFQBKGHRSQHK-UHFFFAOYSA-N	-1	0	285.300	0.336	20	30		CCEDRM
CCn1nccc1C(=O)[N-]S(=O)(=O)CC1(C#N)CCC1	ZINC000774501946	581955347	/nfs/dbraw/zinc/95/53/47/581955347.db2.gz	HAFLOZNEHUZBNX-UHFFFAOYSA-N	-1	0	296.352	0.656	20	30		CCEDRM
C=CCS(=O)(=O)[N-]C(=O)CCC(=O)OC(C)(C)C	ZINC000774164630	581962483	/nfs/dbraw/zinc/96/24/83/581962483.db2.gz	VHZGFLIKEQPXKK-UHFFFAOYSA-N	-1	0	277.342	0.740	20	30		CCEDRM
C#CCCNC(=O)C(=O)Nc1cccc(CC(=O)[O-])c1	ZINC000737492171	581965993	/nfs/dbraw/zinc/96/59/93/581965993.db2.gz	BOTNLOQAKTXPLU-UHFFFAOYSA-N	-1	0	274.276	0.392	20	30		CCEDRM
CC(C)(C#N)CS(=O)(=O)[N-]C(=O)Cc1ccoc1	ZINC000774289473	581968958	/nfs/dbraw/zinc/96/89/58/581968958.db2.gz	VGCPGYKLGCNFNB-UHFFFAOYSA-N	-1	0	270.310	0.818	20	30		CCEDRM
COC(=O)CN(CC#N)C(=O)c1ccc(C(=O)[O-])cc1	ZINC000737604154	581988968	/nfs/dbraw/zinc/98/89/68/581988968.db2.gz	HVJDMTGNULMDAS-UHFFFAOYSA-N	-1	0	276.248	0.524	20	30		CCEDRM
Cc1nc(SCC(=O)Nc2nc(C#N)c(C#N)[n-]2)n[nH]1	ZINC000748841046	581990519	/nfs/dbraw/zinc/99/05/19/581990519.db2.gz	WZYAESMQEYHLHI-UHFFFAOYSA-N	-1	0	288.296	0.310	20	30		CCEDRM
COC(=O)NCC(=O)O[C@@H](C(=O)[O-])c1ccc(C#N)cc1	ZINC000737639601	581995804	/nfs/dbraw/zinc/99/58/04/581995804.db2.gz	YQSIIGAWXMGJKD-LLVKDONJSA-N	-1	0	292.247	0.583	20	30		CCEDRM
CC(C)NC(=O)C(C#N)=C([O-])c1cc2n(n1)CCCO2	ZINC000763934393	582021898	/nfs/dbraw/zinc/02/18/98/582021898.db2.gz	YZVLQAVMZYTUGS-VIFPVBQESA-N	-1	0	276.296	0.513	20	30		CCEDRM
CO[C@@H](C)CS(=O)(=O)[N-]C(=O)c1ccc(C#N)cc1C	ZINC000764180829	582034267	/nfs/dbraw/zinc/03/42/67/582034267.db2.gz	MUGFXWYGDGDJMR-JTQLQIEISA-N	-1	0	296.348	0.961	20	30		CCEDRM
C=CCCO[C@@H](C)C(=O)[N-]S(=O)(=O)C[C@H](C)OC	ZINC000764187449	582034325	/nfs/dbraw/zinc/03/43/25/582034325.db2.gz	QTUCVCALLOCSNM-UWVGGRQHSA-N	-1	0	279.358	0.449	20	30		CCEDRM
CC[C@H](OC)C(=O)[N-]S(=O)(=O)Cc1cccc(C#N)c1	ZINC000750420560	582043671	/nfs/dbraw/zinc/04/36/71/582043671.db2.gz	HJMCSZOTSFCKTH-LBPRGKRZSA-N	-1	0	296.348	0.929	20	30		CCEDRM
N#CCOc1ccc(CNC(=O)CNC(=O)[O-])cc1	ZINC000738427043	582048312	/nfs/dbraw/zinc/04/83/12/582048312.db2.gz	WHJYOJPGGBSPPD-UHFFFAOYSA-N	-1	0	263.253	0.473	20	30		CCEDRM
N#Cc1cc(NC(=O)C(=O)NCCC(=O)[O-])ccc1F	ZINC000738426122	582048330	/nfs/dbraw/zinc/04/83/30/582048330.db2.gz	USFGHKXANHEFST-UHFFFAOYSA-N	-1	0	279.227	0.227	20	30		CCEDRM
N#Cc1ccc([C@@H](OC(=O)CCNC(=O)[O-])C(N)=O)cc1	ZINC000738432353	582049144	/nfs/dbraw/zinc/04/91/44/582049144.db2.gz	JZBGKUBLCDJSLG-LLVKDONJSA-N	-1	0	291.263	0.286	20	30		CCEDRM
C#CCCNC(=O)N1C[C@@H](C)N(C(=O)[O-])[C@H](C)C1	ZINC000738456821	582052490	/nfs/dbraw/zinc/05/24/90/582052490.db2.gz	BSGHNTXSJSVAPF-NXEZZACHSA-N	-1	0	253.302	0.792	20	30		CCEDRM
N#CCCCS(=O)(=O)[N-]C(=O)c1ccc2c(c1)OCO2	ZINC000776122191	582052977	/nfs/dbraw/zinc/05/29/77/582052977.db2.gz	MQAHFAMHDABOLZ-UHFFFAOYSA-N	-1	0	296.304	0.779	20	30		CCEDRM
C#CCN1CCC[C@H]1C(=O)NC[C@H](NC(=O)[O-])C(C)C	ZINC000738461538	582053224	/nfs/dbraw/zinc/05/32/24/582053224.db2.gz	UMGVOSJAXJOPGU-RYUDHWBXSA-N	-1	0	281.356	0.492	20	30		CCEDRM
C#CCN1CCC[C@H]1C(=O)NC[C@H]1CCCN(C(=O)[O-])C1	ZINC000738462281	582053251	/nfs/dbraw/zinc/05/32/51/582053251.db2.gz	YBNOBUYAAVKVOV-OLZOCXBDSA-N	-1	0	293.367	0.590	20	30		CCEDRM
C#Cc1ccc(C(=O)N2CCN(C(=O)[O-])[C@@H](C)C2)cn1	ZINC000738466424	582053893	/nfs/dbraw/zinc/05/38/93/582053893.db2.gz	AGNJEHIVHGYKRO-JTQLQIEISA-N	-1	0	273.292	0.887	20	30		CCEDRM
C=CCNC(=O)[C@@H](C)OC(=O)[C@@H]1CCCN1C(=O)[O-]	ZINC000738494415	582055905	/nfs/dbraw/zinc/05/59/05/582055905.db2.gz	CBFYOVXDBQPRAE-BDAKNGLRSA-N	-1	0	270.285	0.363	20	30		CCEDRM
Cn1cc(S(=O)(=O)[N-]C(=O)c2ccc(C#N)s2)cn1	ZINC000750683570	582056255	/nfs/dbraw/zinc/05/62/55/582056255.db2.gz	VEAPUFTWJHTHPR-UHFFFAOYSA-N	-1	0	296.333	0.472	20	30		CCEDRM
C=CCn1nnn(CN2CCN(C(=O)[O-])C[C@H]2C)c1=S	ZINC000738502324	582056664	/nfs/dbraw/zinc/05/66/64/582056664.db2.gz	AXLQJTBSOBOMSA-SECBINFHSA-N	-1	0	298.372	0.637	20	30		CCEDRM
C[C@@H](C#N)NC(=O)c1csc(CNC(=O)[O-])n1	ZINC000738598905	582064828	/nfs/dbraw/zinc/06/48/28/582064828.db2.gz	BOSYPCHIJIBCJZ-YFKPBYRVSA-N	-1	0	254.271	0.553	20	30		CCEDRM
N#CCCCS(=O)(=O)[N-]C(=O)[C@H]1C[C@@]12CCOC2	ZINC000764791890	582069194	/nfs/dbraw/zinc/06/91/94/582069194.db2.gz	WWEJGOWVJWPQEA-MWLCHTKSSA-N	-1	0	272.326	0.163	20	30		CCEDRM
Cn1nncc1C=Nn1c(=S)[n-]nc1C(F)(F)F	ZINC000751130379	582070516	/nfs/dbraw/zinc/07/05/16/582070516.db2.gz	XWWGHLVRRJVNIW-UHFFFAOYSA-N	-1	0	277.235	0.596	20	30		CCEDRM
CC(C)(CC(=O)[C@H](C#N)C(=O)N1CCCC1)NC(=O)[O-]	ZINC000738728957	582072128	/nfs/dbraw/zinc/07/21/28/582072128.db2.gz	FUMZTBOQVDIUST-VIFPVBQESA-N	-1	0	281.312	0.754	20	30		CCEDRM
Cc1ccn2cc(C(=O)N(CC#N)CC(=O)[O-])nc2c1	ZINC000738790040	582076795	/nfs/dbraw/zinc/07/67/95/582076795.db2.gz	VEBYCIVKMXDAQA-UHFFFAOYSA-N	-1	0	272.264	0.693	20	30		CCEDRM
Cc1nc(CC(=O)N(CC#N)CC(=O)[O-])cs1	ZINC000738850347	582082680	/nfs/dbraw/zinc/08/26/80/582082680.db2.gz	PQCPCDDWOXVIBM-UHFFFAOYSA-N	-1	0	253.283	0.431	20	30		CCEDRM
C[C@@H](CC#N)N(C)C(=O)CN(C[C@H]1CCCO1)C(=O)[O-]	ZINC000738890996	582086230	/nfs/dbraw/zinc/08/62/30/582086230.db2.gz	BIQCEDGUORYQSO-WDEREUQCSA-N	-1	0	283.328	0.906	20	30		CCEDRM
N#C[C@H](C(=O)[C@H]1C[C@H]1C(=O)[O-])C(=O)N1CCCC1	ZINC000739073250	582100767	/nfs/dbraw/zinc/10/07/67/582100767.db2.gz	CCKVHDHQKRJXKN-DJLDLDEBSA-N	-1	0	250.254	0.038	20	30		CCEDRM
N#CCN(CC(=O)[O-])C(=O)[C@H]1Cc2ccccc2O1	ZINC000739076582	582101444	/nfs/dbraw/zinc/10/14/44/582101444.db2.gz	ANMKYWWKJKISBL-LLVKDONJSA-N	-1	0	260.249	0.427	20	30		CCEDRM
C#CCCCS(=O)(=O)[N-]c1n[nH]c(SC)n1	ZINC000840946873	612985463	/nfs/dbraw/zinc/98/54/63/612985463.db2.gz	WUEIDZPPAWASSY-UHFFFAOYSA-N	-1	0	260.344	0.682	20	30		CCEDRM
C[C@H]1COCCCN1C(=O)[C@@](C)(C#N)CC(=O)[O-]	ZINC000820251671	597603158	/nfs/dbraw/zinc/60/31/58/597603158.db2.gz	DBJDYAJWXGOSJZ-JOYOIKCWSA-N	-1	0	254.286	0.628	20	30		CCEDRM
C[C@](C#N)(CC(=O)[O-])C(=O)N1CCOC2(CCC2)C1	ZINC000819821386	597605603	/nfs/dbraw/zinc/60/56/03/597605603.db2.gz	FMOYAXHOZRIHGB-GFCCVEGCSA-N	-1	0	266.297	0.772	20	30		CCEDRM
C[C@](C#N)(CC(=O)[O-])C(=O)NCC[C@@H]1CCCO1	ZINC000819834771	597631323	/nfs/dbraw/zinc/63/13/23/597631323.db2.gz	OZUWNRGWRQNAEB-JOYOIKCWSA-N	-1	0	254.286	0.676	20	30		CCEDRM
N#CCCNC(=O)COC(=O)c1cccc(C(=O)[O-])c1	ZINC000821324828	598144681	/nfs/dbraw/zinc/14/46/81/598144681.db2.gz	RPWDBOKJDRMYND-UHFFFAOYSA-N	-1	0	276.248	0.571	20	30		CCEDRM
Cc1nnc2n1C[C@H](NC(=O)[C@](C)(C#N)CC(=O)[O-])CC2	ZINC000821224997	598226206	/nfs/dbraw/zinc/22/62/06/598226206.db2.gz	PONRNPQVPHIJAC-RNCFNFMXSA-N	-1	0	291.311	0.022	20	30		CCEDRM
C[C@](C#N)(CC(=O)[O-])C(=O)N1CCO[C@@H]([C@H]2CCCO2)C1	ZINC000819823662	598229955	/nfs/dbraw/zinc/22/99/55/598229955.db2.gz	VKNHGIRINKEUHS-JTNHKYCSSA-N	-1	0	296.323	0.397	20	30		CCEDRM
C[C@](C#N)(CC(=O)[O-])C(=O)N1CCS[C@@H]2COCC[C@@H]21	ZINC000819823710	598230624	/nfs/dbraw/zinc/23/06/24/598230624.db2.gz	VTFIZDZPGKFDMW-OPQQBVKSSA-N	-1	0	298.364	0.724	20	30		CCEDRM
C#CCN(CC#CC)CC(=O)N[C@H](C(=O)[O-])[C@H](C)CC	ZINC000825608512	600836885	/nfs/dbraw/zinc/83/68/85/600836885.db2.gz	AZUZBHKQRRMUOF-OCCSQVGLSA-N	-1	0	278.352	0.560	20	30		CCEDRM
C#CCO[C@@H](C)C(=O)N[C@@H](CC(F)(F)F)C(=O)[O-]	ZINC000909670543	612997003	/nfs/dbraw/zinc/99/70/03/612997003.db2.gz	MMORWFJJFNGUNP-BQBZGAKWSA-N	-1	0	267.203	0.547	20	30		CCEDRM
C#CCO[C@@H](C)C(=O)N[C@@H](C)C1(C(=O)[O-])CCOCC1	ZINC000907916765	612997009	/nfs/dbraw/zinc/99/70/09/612997009.db2.gz	BXNHQWMAAKKAFA-QWRGUYRKSA-N	-1	0	283.324	0.411	20	30		CCEDRM
C#CCO[C@@H](C)C(=O)N1CC[C@](C(=O)[O-])(C(F)(F)F)C1	ZINC000909770298	612995670	/nfs/dbraw/zinc/99/56/70/612995670.db2.gz	ZHIVFQAMHURXBD-KWQFWETISA-N	-1	0	293.241	0.890	20	30		CCEDRM
C#CCO[C@H](C)C(=O)NCC1(C(=O)[O-])CCCC1	ZINC000909277151	613001167	/nfs/dbraw/zinc/00/11/67/613001167.db2.gz	ZNVOKGGSLRQZCJ-SNVBAGLBSA-N	-1	0	253.298	0.786	20	30		CCEDRM
C#CC(=O)N[C@@H]1CCN(c2sccc2C(=O)[O-])C1=O	ZINC000833360979	612945727	/nfs/dbraw/zinc/94/57/27/612945727.db2.gz	ULMCCNBGTYVCCU-MRVPVSSYSA-N	-1	0	278.289	0.301	20	30		CCEDRM
N#CCCN(CCC#N)C(=O)CCCNC(=O)[O-]	ZINC000739071897	599750263	/nfs/dbraw/zinc/75/02/63/599750263.db2.gz	AATHNPCOZMMGDS-UHFFFAOYSA-N	-1	0	252.274	0.690	20	30		CCEDRM
N#Cc1cc([N+](=O)[O-])cnc1N1CCO[C@H](C(=O)[O-])C1	ZINC000050442198	599958841	/nfs/dbraw/zinc/95/88/41/599958841.db2.gz	FNTIYIBNBIAMCQ-VIFPVBQESA-N	-1	0	278.224	0.151	20	30		CCEDRM
C[C@H](OC(=O)CNC(=O)c1ccc(C#N)cc1)C(=O)[O-]	ZINC000736693015	599998470	/nfs/dbraw/zinc/99/84/70/599998470.db2.gz	MHLALTHHRLXPRZ-QMMMGPOBSA-N	-1	0	276.248	0.304	20	30		CCEDRM
N#CCSCC(=O)N1CCC2(C[C@H]2C(=O)[O-])CC1	ZINC000405446344	600265688	/nfs/dbraw/zinc/26/56/88/600265688.db2.gz	SMYNBWXHHYCCFI-VIFPVBQESA-N	-1	0	268.338	0.956	20	30		CCEDRM
N#CC1(NC(=O)CN2CCC[C@H]2C(=O)[O-])CCCCC1	ZINC000739066224	600439049	/nfs/dbraw/zinc/43/90/49/600439049.db2.gz	IPYJGGPGFRARHT-NSHDSACASA-N	-1	0	279.340	0.878	20	30		CCEDRM
C#CCSCCNS(=O)(=O)c1ccc(C(=O)[O-])o1	ZINC000231938636	600589263	/nfs/dbraw/zinc/58/92/63/600589263.db2.gz	MPVWVXHKZYRPJS-UHFFFAOYSA-N	-1	0	289.334	0.623	20	30		CCEDRM
C#CCCCNS(=O)(=O)c1ccc(C(=O)[O-])o1	ZINC000229817702	600785391	/nfs/dbraw/zinc/78/53/91/600785391.db2.gz	CLFTVLSJQFVJCS-UHFFFAOYSA-N	-1	0	257.267	0.670	20	30		CCEDRM
Cc1ccc(C)c(OC[C@@H](O)CN(CC#N)CC(=O)[O-])c1	ZINC000832926676	601226068	/nfs/dbraw/zinc/22/60/68/601226068.db2.gz	ZHLBDVBSULTDQS-ZDUSSCGKSA-N	-1	0	292.335	0.953	20	30		CCEDRM
N#CCN(CCC(=O)N1CCCCC1)CC(=O)[O-]	ZINC000833066761	601226274	/nfs/dbraw/zinc/22/62/74/601226274.db2.gz	HBCDRYTWGBQRPU-UHFFFAOYSA-N	-1	0	253.302	0.299	20	30		CCEDRM
N#Cc1ccc(C(=O)NC2(CC(=O)[O-])CCOCC2)cn1	ZINC000833070357	601328905	/nfs/dbraw/zinc/32/89/05/601328905.db2.gz	ARGCYMKAQYCZJF-UHFFFAOYSA-N	-1	0	289.291	0.707	20	30		CCEDRM
N#CCCN(CC(=O)NCCC(=O)[O-])Cc1ccccn1	ZINC000833066084	601376307	/nfs/dbraw/zinc/37/63/07/601376307.db2.gz	WAWBPNMMNLXIIN-UHFFFAOYSA-N	-1	0	290.323	0.388	20	30		CCEDRM
N#Cc1c[nH]c(C(=O)NCCSCC(=O)[O-])c1	ZINC000833068350	601437480	/nfs/dbraw/zinc/43/74/80/601437480.db2.gz	VBBISIBIEWYCBN-UHFFFAOYSA-N	-1	0	253.283	0.434	20	30		CCEDRM
N#C[C@@H]1CCC[C@H]1NS(=O)(=O)CC1(CC(=O)[O-])CC1	ZINC000833063179	601520510	/nfs/dbraw/zinc/52/05/10/601520510.db2.gz	TXSZCIRKKUWDHM-VHSXEESVSA-N	-1	0	286.353	0.853	20	30		CCEDRM
N#Cc1ccc([C@@H](Nc2ccn(CCO)n2)C(=O)[O-])cc1	ZINC000833071183	601604097	/nfs/dbraw/zinc/60/40/97/601604097.db2.gz	CWRSNGYPASHKSE-CYBMUJFWSA-N	-1	0	286.291	0.985	20	30		CCEDRM
N#Cc1ccccc1/C=C/C(=O)N1CCOC[C@@H]1C(=O)[O-]	ZINC000833075923	601609636	/nfs/dbraw/zinc/60/96/36/601609636.db2.gz	YWPMANZZWOYOHP-URWSZGRFSA-N	-1	0	286.287	0.883	20	30		CCEDRM
C#CCNC(=O)[C@@H](C)OC(=O)CN(CC1CC1)C(=O)[O-]	ZINC000823456587	612948650	/nfs/dbraw/zinc/94/86/50/612948650.db2.gz	NXDQEEDXDMZLGQ-SECBINFHSA-N	-1	0	282.296	0.058	20	30		CCEDRM
C=C[C@@H](C)NS(=O)(=O)N1CCC(C(=O)[O-])CC1	ZINC000159718556	601805645	/nfs/dbraw/zinc/80/56/45/601805645.db2.gz	PXHVBOCFOKVQHG-MRVPVSSYSA-N	-1	0	262.331	0.192	20	30		CCEDRM
C[C@@]1(C(=O)[O-])CCN(C(=O)c2ccc(C#N)cn2)C1	ZINC000111280973	602018121	/nfs/dbraw/zinc/01/81/21/602018121.db2.gz	SRVLYWNKAVKTKQ-CYBMUJFWSA-N	-1	0	259.265	0.890	20	30		CCEDRM
N#Cc1ccc(CNCC(=O)N2CCN(C(=O)[O-])CC2)o1	ZINC000831126862	603161071	/nfs/dbraw/zinc/16/10/71/603161071.db2.gz	URKCPCCYDJLNSA-UHFFFAOYSA-N	-1	0	292.295	0.063	20	30		CCEDRM
C[C@@H](NC(=O)C#Cc1ccc2c(c1)OCO2)C(=O)[O-]	ZINC000818018076	617179997	/nfs/dbraw/zinc/17/99/97/617179997.db2.gz	LPLBWOVBRWMEIX-MRVPVSSYSA-N	-1	0	261.233	0.356	20	30		CCEDRM
COc1cc(CC(=O)[N-]S(=O)(=O)CCC#N)ccc1C	ZINC000835411685	617181002	/nfs/dbraw/zinc/18/10/02/617181002.db2.gz	NROSCBJWIUAABM-UHFFFAOYSA-N	-1	0	296.348	0.906	20	30		CCEDRM
N#C[C@H]1CN(C(=O)[O-])CCN1CC(=O)Nc1ccccc1	ZINC000831092848	603728536	/nfs/dbraw/zinc/72/85/36/603728536.db2.gz	ZFFCDPPWCCJBOK-LBPRGKRZSA-N	-1	0	288.307	0.813	20	30		CCEDRM
Cn1ccnc(N=NC2CCC[C@@H]2CNC(=O)[O-])c1=O	ZINC000831031919	603763598	/nfs/dbraw/zinc/76/35/98/603763598.db2.gz	YESQNAMONGTKSC-MRVPVSSYSA-N	-1	0	279.300	0.616	20	30		CCEDRM
CC(C)(C#N)C(=O)O[C@@H]1CN(C(=O)[O-])CCC1=O	ZINC000823737853	603773191	/nfs/dbraw/zinc/77/31/91/603773191.db2.gz	NMTAVEYJUIKLQC-MRVPVSSYSA-N	-1	0	254.242	0.401	20	30		CCEDRM
N#C[C@@]1(NC(=O)[C@]2(F)CCN(C(=O)[O-])C2)CCSC1	ZINC000831070059	603842915	/nfs/dbraw/zinc/84/29/15/603842915.db2.gz	CXBMLMRZOCUGEH-QWRGUYRKSA-N	-1	0	287.316	0.594	20	30		CCEDRM
N#CC1CCN(C(=O)[C@@]2(F)CCN(C(=O)[O-])C2)CC1	ZINC000831076659	603866706	/nfs/dbraw/zinc/86/67/06/603866706.db2.gz	QPJXWTVRMJYBNV-GFCCVEGCSA-N	-1	0	269.276	0.841	20	30		CCEDRM
N#CC1(NC(=O)[C@@H]2CC[C@@H](NC(=O)[O-])C2)CCOCC1	ZINC000831071018	603982897	/nfs/dbraw/zinc/98/28/97/603982897.db2.gz	WWBKTEKSGDPQHJ-NXEZZACHSA-N	-1	0	281.312	0.612	20	30		CCEDRM
N#C[C@H]1CN(C(=O)[O-])CCN1C(=O)c1ccc([N+](=O)[O-])[nH]1	ZINC000831087616	604068254	/nfs/dbraw/zinc/06/82/54/604068254.db2.gz	OPUWONLJIGJKHH-ZETCQYMHSA-N	-1	0	293.239	0.251	20	30		CCEDRM
N#C[C@H]1CN(C(=O)[O-])CCN1C(=O)CCc1nccs1	ZINC000831081948	604069753	/nfs/dbraw/zinc/06/97/53/604069753.db2.gz	DWHAYNMNYDMFCW-VIFPVBQESA-N	-1	0	294.336	0.790	20	30		CCEDRM
N#Cc1csc(C(=O)N2CCN(C(=O)[O-])C[C@@H]2C#N)c1	ZINC000831162032	604075300	/nfs/dbraw/zinc/07/53/00/604075300.db2.gz	URGDWYNROMWDHQ-VIFPVBQESA-N	-1	0	290.304	0.948	20	30		CCEDRM
Cc1noc(C)c1CC(=O)N1CCN(C(=O)[O-])C[C@H]1C#N	ZINC000830909930	604078439	/nfs/dbraw/zinc/07/84/39/604078439.db2.gz	ZGQJDUOUNJXEGA-SNVBAGLBSA-N	-1	0	292.295	0.548	20	30		CCEDRM
N#C[C@H]1CN(C(=O)[O-])CCN1C(=O)CC1CCOCC1	ZINC000831082372	604087380	/nfs/dbraw/zinc/08/73/80/604087380.db2.gz	LKRFSPUGGBILRF-NSHDSACASA-N	-1	0	281.312	0.517	20	30		CCEDRM
Cc1n[nH]c(C(=O)N[C@@H]2CN(CC#N)CC[C@@H]2C)c1[O-]	ZINC000965917011	649941169	/nfs/dbraw/zinc/94/11/69/649941169.db2.gz	OHBDMPGFGKKDCO-WCBMZHEXSA-N	-1	0	277.328	0.388	20	30		CCEDRM
Cc1n[nH]c(C(=O)N[C@H]2CN(CC#N)CC[C@H]2C)c1[O-]	ZINC000965917010	649941700	/nfs/dbraw/zinc/94/17/00/649941700.db2.gz	OHBDMPGFGKKDCO-SCZZXKLOSA-N	-1	0	277.328	0.388	20	30		CCEDRM
C[C@@H](CN(C)C(=O)[O-])C(=O)[C@@H](C#N)C(=O)NC1CC1	ZINC000824822493	604252637	/nfs/dbraw/zinc/25/26/37/604252637.db2.gz	AKQYRXVBIMETDC-IONNQARKSA-N	-1	0	267.285	0.220	20	30		CCEDRM
C[C@H](CN(C)C(=O)[O-])C(=O)[C@H](C#N)C(=O)NC1CC1	ZINC000824822488	604252919	/nfs/dbraw/zinc/25/29/19/604252919.db2.gz	AKQYRXVBIMETDC-APPZFPTMSA-N	-1	0	267.285	0.220	20	30		CCEDRM
C[C@@H](CC(=O)Nc1ncc(C#N)s1)NC(=O)[O-]	ZINC000824711300	604344813	/nfs/dbraw/zinc/34/48/13/604344813.db2.gz	UEOCEHUVIIUKLF-YFKPBYRVSA-N	-1	0	254.271	0.999	20	30		CCEDRM
C[C@H](NC(=O)[O-])[C@H]1CN(C(=O)c2cc(C#N)c[nH]2)CCO1	ZINC000825325061	604447675	/nfs/dbraw/zinc/44/76/75/604447675.db2.gz	ISYKEOVEASYECR-GZMMTYOYSA-N	-1	0	292.295	0.383	20	30		CCEDRM
C[C@H](NC(=O)[O-])[C@H]1CN(c2ccc(C#N)cn2)CCO1	ZINC000825373382	604453077	/nfs/dbraw/zinc/45/30/77/604453077.db2.gz	XRKMMJFNRTUXGS-GXSJLCMTSA-N	-1	0	276.296	0.815	20	30		CCEDRM
C#CCN(CC)S(=O)(=O)c1cc(C(=O)[O-])oc1C	ZINC000164456720	604504976	/nfs/dbraw/zinc/50/49/76/604504976.db2.gz	ZEQGQYFPXRSSLM-UHFFFAOYSA-N	-1	0	271.294	0.930	20	30		CCEDRM
N#CCc1ccnc(NC(=O)[C@@H]2C[C@@H](O)CN2C(=O)[O-])c1	ZINC000831109437	604555096	/nfs/dbraw/zinc/55/50/96/604555096.db2.gz	JDZULTJLBOAYMA-ZJUUUORDSA-N	-1	0	290.279	0.199	20	30		CCEDRM
Cc1[nH]c(C(=O)CN2CCO[C@H](C#N)C2)c(C)c1C(=O)[O-]	ZINC000832843242	604762795	/nfs/dbraw/zinc/76/27/95/604762795.db2.gz	AREKOLVAULQMMT-SNVBAGLBSA-N	-1	0	291.307	0.737	20	30		CCEDRM
C#CC[C@@H](NC(=O)[C@H](C)OCc1ccncc1)C(=O)[O-]	ZINC000910051380	613041019	/nfs/dbraw/zinc/04/10/19/613041019.db2.gz	UCRILHPJNCXDHJ-CMPLNLGQSA-N	-1	0	276.292	0.579	20	30		CCEDRM
C[C@H](NC(=O)[O-])C(=O)OCC(=O)c1cccc(C#N)c1	ZINC000833741003	604963233	/nfs/dbraw/zinc/96/32/33/604963233.db2.gz	VKQPTFHGNKUILB-QMMMGPOBSA-N	-1	0	276.248	0.940	20	30		CCEDRM
C[C@@H]1C[C@H](C(=O)N(CC#N)CC(=O)[O-])CCC1=O	ZINC000833592770	604999720	/nfs/dbraw/zinc/99/97/20/604999720.db2.gz	OBQHNVZECZPBQE-RKDXNWHRSA-N	-1	0	252.270	0.428	20	30		CCEDRM
C#CCCCCC(=O)N1CCC(O)(C(=O)[O-])CC1	ZINC000386503740	605017035	/nfs/dbraw/zinc/01/70/35/605017035.db2.gz	CYYBIDSKTZRRIA-UHFFFAOYSA-N	-1	0	253.298	0.618	20	30		CCEDRM
N#Cc1cccc(COC(=O)[C@@H]2CN(C(=O)[O-])CCO2)c1	ZINC000831146493	605075953	/nfs/dbraw/zinc/07/59/53/605075953.db2.gz	RFWRKDPFSFIICV-LBPRGKRZSA-N	-1	0	290.275	0.980	20	30		CCEDRM
C#CCNS(=O)(=O)c1ccc(Cl)cc1C(=O)[O-]	ZINC000833364467	605169858	/nfs/dbraw/zinc/16/98/58/605169858.db2.gz	RRWFPZDLXCISBM-UHFFFAOYSA-N	-1	0	273.697	0.950	20	30		CCEDRM
C[C@H](OC(=O)c1ccc(C#N)[nH]1)c1cn(CC(=O)[O-])nn1	ZINC000833532674	605116701	/nfs/dbraw/zinc/11/67/01/605116701.db2.gz	RUTPLZONHSYRSE-ZETCQYMHSA-N	-1	0	289.251	0.480	20	30		CCEDRM
C[C@@H](C(=O)[O-])n1cccc1C=NN1CCCNC1=O	ZINC000833406904	605287492	/nfs/dbraw/zinc/28/74/92/605287492.db2.gz	KPIKXKSVAZUMFX-VIFPVBQESA-N	-1	0	264.285	0.883	20	30		CCEDRM
N#CCCCNC(=O)NCC[C@H]1CCN(C(=O)[O-])C1	ZINC000833969662	605385814	/nfs/dbraw/zinc/38/58/14/605385814.db2.gz	WJCHYLFRTKEPCQ-JTQLQIEISA-N	-1	0	268.317	0.979	20	30		CCEDRM
C[C@](O)(CN(CCC#N)Cc1ccco1)C(=O)[O-]	ZINC000833525733	605499138	/nfs/dbraw/zinc/49/91/38/605499138.db2.gz	UFIGZXNYQYRQAN-LBPRGKRZSA-N	-1	0	252.270	0.831	20	30		CCEDRM
C#CCNC(=O)N(C1CC1)[C@@H]1CCN(C(=O)[O-])C1	ZINC000823455596	605598383	/nfs/dbraw/zinc/59/83/83/605598383.db2.gz	FFQNDIZWCMWJDX-SNVBAGLBSA-N	-1	0	251.286	0.546	20	30		CCEDRM
Cc1onc(CC(=O)N2CCC(NC(=O)[O-])CC2)c1C#N	ZINC000833934779	605680236	/nfs/dbraw/zinc/68/02/36/605680236.db2.gz	BRDCQUVJVYKQJU-UHFFFAOYSA-N	-1	0	292.295	0.656	20	30		CCEDRM
N#Cc1cccc(C(=O)COC(=O)CNC(=O)[O-])c1	ZINC000833975993	605722294	/nfs/dbraw/zinc/72/22/94/605722294.db2.gz	AUSATTIBSQFFCM-UHFFFAOYSA-N	-1	0	262.221	0.552	20	30		CCEDRM
C#CCCNS(=O)(=O)Cc1ccccc1C(=O)[O-]	ZINC000833365479	613048042	/nfs/dbraw/zinc/04/80/42/613048042.db2.gz	SDTXGXBZWUHQOP-UHFFFAOYSA-N	-1	0	267.306	0.828	20	30		CCEDRM
N#CC1(NC(=O)CN(C(=O)[O-])C2CC2)CCOCC1	ZINC000833963332	605983921	/nfs/dbraw/zinc/98/39/21/605983921.db2.gz	LEVZLMUQDVKMST-UHFFFAOYSA-N	-1	0	267.285	0.318	20	30		CCEDRM
N#C[C@]1(NC(=O)c2cnc(NC(=O)[O-])cn2)CCSC1	ZINC000833963210	606034353	/nfs/dbraw/zinc/03/43/53/606034353.db2.gz	IXTFDFWTTBMOJP-LLVKDONJSA-N	-1	0	293.308	0.696	20	30		CCEDRM
N#C[C@H]1CCC[C@@H]1NC(=O)c1cnc(NC(=O)[O-])cn1	ZINC000833963951	606058972	/nfs/dbraw/zinc/05/89/72/606058972.db2.gz	XJFPPQZKVVKOEU-SFYZADRCSA-N	-1	0	275.268	0.989	20	30		CCEDRM
C#CCCS(=O)(=O)[N-]C(=O)Cc1ccc(C#N)cc1	ZINC000810779441	613052909	/nfs/dbraw/zinc/05/29/09/613052909.db2.gz	MUUPSZMGTCHBCJ-UHFFFAOYSA-N	-1	0	276.317	0.570	20	30		CCEDRM
C#CCCS(=O)(=O)[N-]C(=O)C[C@H](C)n1nc(C)cc1C	ZINC000810779685	613052930	/nfs/dbraw/zinc/05/29/30/613052930.db2.gz	XIKDYARALNDIEW-LBPRGKRZSA-N	-1	0	297.380	0.920	20	30		CCEDRM
C#CCCS(=O)(=O)[N-]C(=O)C1CC(F)(F)C1	ZINC000810785953	613052688	/nfs/dbraw/zinc/05/26/88/613052688.db2.gz	VDPIJVDGMPAWBM-UHFFFAOYSA-N	-1	0	251.254	0.501	20	30		CCEDRM
C#CCCS(=O)(=O)[N-]C(=O)CCc1ccc(C)o1	ZINC000810783784	613052701	/nfs/dbraw/zinc/05/27/01/613052701.db2.gz	FBIKJKPVSHPKGA-UHFFFAOYSA-N	-1	0	269.322	0.990	20	30		CCEDRM
O=C([O-])c1ccc(N=NCc2ccc(-c3nn[nH]n3)o2)nc1	ZINC000826461818	608110508	/nfs/dbraw/zinc/11/05/08/608110508.db2.gz	HISUIRPPCLVUTQ-UHFFFAOYSA-N	-1	0	299.250	0.999	20	30		CCEDRM
C=C(Cl)C[C@@H](NS(=O)(=O)N1CC[C@H](C)C1)C(=O)[O-]	ZINC000863421140	613388809	/nfs/dbraw/zinc/38/88/09/613388809.db2.gz	VKAHRDBNKVTTCK-IONNQARKSA-N	-1	0	296.776	0.758	20	30		CCEDRM
C=C[C@@H](CCC(=O)[O-])NS(=O)(=O)C[C@H]1CCOC1	ZINC000871741767	613449071	/nfs/dbraw/zinc/44/90/71/613449071.db2.gz	DLOMRXKRPJUQPY-UWVGGRQHSA-N	-1	0	277.342	0.362	20	30		CCEDRM
COc1cc2c(cc1C=Nn1c(=O)[n-][nH]c1=O)OCO2	ZINC000814231438	617218278	/nfs/dbraw/zinc/21/82/78/617218278.db2.gz	GBIGMZLZGVTQMH-UHFFFAOYSA-N	-1	0	278.224	0.309	20	30		CCEDRM
CC(C)CN(CC(=O)[O-])S(=O)(=O)CC(C)(C)C#N	ZINC000905987200	614076706	/nfs/dbraw/zinc/07/67/06/614076706.db2.gz	ABDFGFXPGXQDRD-UHFFFAOYSA-N	-1	0	276.358	0.909	20	30		CCEDRM
C#CCCCCC(=O)N1CCOC[C@@H]1c1nnn[n-]1	ZINC000913494737	612975565	/nfs/dbraw/zinc/97/55/65/612975565.db2.gz	CMVUCLPGWDDFMW-SNVBAGLBSA-N	-1	0	263.301	0.293	20	30		CCEDRM
C#CCCCCNC(=O)N1C[C@@H]2COC[C@]2(C(=O)[O-])C1	ZINC000851650042	612977756	/nfs/dbraw/zinc/97/77/56/612977756.db2.gz	BPJOECHCOPJIOR-BXUZGUMPSA-N	-1	0	280.324	0.533	20	30		CCEDRM
C#CCCCCNC(=O)N[C@@H](C(=O)[O-])[C@@H]1CCCOC1	ZINC000797723196	612977792	/nfs/dbraw/zinc/97/77/92/612977792.db2.gz	BFNHHAHYKVOIDZ-VXGBXAGGSA-N	-1	0	282.340	0.969	20	30		CCEDRM
C#CCCCCNS(=O)(=O)c1n[nH]c(C)c1C(=O)[O-]	ZINC000833361537	612978435	/nfs/dbraw/zinc/97/84/35/612978435.db2.gz	AJDDXFGQXJYEJU-UHFFFAOYSA-N	-1	0	285.325	0.498	20	30		CCEDRM
C#CCCCN1c2c(cnn2C)C([O-])=CS1(=O)=O	ZINC000902834193	612978868	/nfs/dbraw/zinc/97/88/68/612978868.db2.gz	LXUVUGAEPVXUOO-UHFFFAOYSA-N	-1	0	267.310	0.166	20	30		CCEDRM
COc1ccc(C=NNCC(C)(C)O)c(OCC(=O)[O-])c1	ZINC000863139803	617238328	/nfs/dbraw/zinc/23/83/28/617238328.db2.gz	QAKXVQXIHLWPFN-UHFFFAOYSA-N	-1	0	296.323	0.853	20	30		CCEDRM
COc1ccc(C(=O)[O-])c(NCC(=O)NCC#N)c1	ZINC000832179005	617235428	/nfs/dbraw/zinc/23/54/28/617235428.db2.gz	ORHCEQZAUPDAAQ-UHFFFAOYSA-N	-1	0	263.253	0.445	20	30		CCEDRM
COc1cccc(C(=O)N2CCN(C(=O)[O-])C[C@@H]2C#N)n1	ZINC000829537110	617289422	/nfs/dbraw/zinc/28/94/22/617289422.db2.gz	FNMZCXGEEIOHOM-VIFPVBQESA-N	-1	0	290.279	0.418	20	30		CCEDRM
C#CCNC(=O)c1ccc(NC[C@H](CC)C(=O)[O-])nc1	ZINC000900974604	612952412	/nfs/dbraw/zinc/95/24/12/612952412.db2.gz	NBBNHZFDODBSSM-JTQLQIEISA-N	-1	0	275.308	0.967	20	30		CCEDRM
C#CCC(C)(C)C(=O)[N-]S(=O)(=O)CCCCOC	ZINC000810678680	612965646	/nfs/dbraw/zinc/96/56/46/612965646.db2.gz	FYGVBPOKDOXYHM-UHFFFAOYSA-N	-1	0	275.370	0.909	20	30		CCEDRM
C#CCC(CC#C)C(=O)Nc1ccc(-n2nn[n-]c2=O)cc1	ZINC000807364203	612967898	/nfs/dbraw/zinc/96/78/98/612967898.db2.gz	BLKPZAMRSGCPJO-UHFFFAOYSA-N	-1	0	295.302	0.969	20	30		CCEDRM
C#CCC1(NC(=O)CCc2nnn[n-]2)CCCCC1	ZINC000886657101	612968637	/nfs/dbraw/zinc/96/86/37/612968637.db2.gz	CUUMONMLIDXPHI-UHFFFAOYSA-N	-1	0	261.329	0.975	20	30		CCEDRM
C#CCCCC(=O)N1CCC[C@H](n2cc(C(=O)[O-])nn2)C1	ZINC000909858005	612974648	/nfs/dbraw/zinc/97/46/48/612974648.db2.gz	ZKZITNZBFCNVTJ-NSHDSACASA-N	-1	0	290.323	0.943	20	30		CCEDRM
C#CCCCCC(=O)[N-]S(=O)(=O)C[C@H](COC)OC	ZINC000853207433	612975656	/nfs/dbraw/zinc/97/56/56/612975656.db2.gz	ZVRNTJCBXSTVAS-NSHDSACASA-N	-1	0	291.369	0.287	20	30		CCEDRM
C#CCCCCC(=O)[N-]S(=O)(=O)Cc1cnn(C)c1	ZINC000847846235	612975692	/nfs/dbraw/zinc/97/56/92/612975692.db2.gz	LCTGQHVGFITKHA-UHFFFAOYSA-N	-1	0	283.353	0.560	20	30		CCEDRM
C#CCCCCNC(=O)[C@@H]1CSCN1C(=O)[O-]	ZINC000823441155	612978096	/nfs/dbraw/zinc/97/80/96/612978096.db2.gz	WBDXZDCMZXNIRM-VIFPVBQESA-N	-1	0	256.327	0.959	20	30		CCEDRM
C#CCCCNC(=O)C(=O)N1C[C@H](C(=O)[O-])C[C@H](C)C1	ZINC000817892612	612979710	/nfs/dbraw/zinc/97/97/10/612979710.db2.gz	VGGKXZKBTNXVRN-WDEREUQCSA-N	-1	0	280.324	0.085	20	30		CCEDRM
C#CCOCCC(=O)N[C@H](C(=O)[O-])c1ccc(OC)cc1	ZINC000833364073	612980661	/nfs/dbraw/zinc/98/06/61/612980661.db2.gz	ISQDSIYTRGBWDS-AWEZNQCLSA-N	-1	0	291.303	0.977	20	30		CCEDRM
C#CCCCNC(=O)N1CCO[C@@H]([C@H](C)NC(=O)[O-])C1	ZINC000823444975	612981518	/nfs/dbraw/zinc/98/15/18/612981518.db2.gz	SANBGINFZIJAQA-WDEREUQCSA-N	-1	0	283.328	0.466	20	30		CCEDRM
C#CCOCCNC(=O)N1CC[C@H](C(=O)[O-])[C@@H](C)C1	ZINC000861455796	612986519	/nfs/dbraw/zinc/98/65/19/612986519.db2.gz	TVCHMVURLHMUOM-QWRGUYRKSA-N	-1	0	268.313	0.388	20	30		CCEDRM
C#CCO[N-]C(=O)Cn1cc(-c2ccccc2)nn1	ZINC000812781296	612992279	/nfs/dbraw/zinc/99/22/79/612992279.db2.gz	ORCADWGVEOEDDX-UHFFFAOYSA-N	-1	0	256.265	0.626	20	30		CCEDRM
C#CCO[N-]C(=O)Cn1cc(Br)cn1	ZINC000812782481	612992288	/nfs/dbraw/zinc/99/22/88/612992288.db2.gz	UYJQCGFGIMJLEW-UHFFFAOYSA-N	-1	0	258.075	0.327	20	30		CCEDRM
C#CCO[N-]C(=O)[C@H]1CSCN1C(=O)OCC	ZINC000825136964	612993187	/nfs/dbraw/zinc/99/31/87/612993187.db2.gz	HYOQNJSRQBTYLB-MRVPVSSYSA-N	-1	0	258.299	0.199	20	30		CCEDRM
C#CCO[N-]C(=O)[C@H]1CSCN1C(=O)C1CCCC1	ZINC000855602973	612993215	/nfs/dbraw/zinc/99/32/15/612993215.db2.gz	IAQKDRWFAUILPR-LLVKDONJSA-N	-1	0	282.365	0.759	20	30		CCEDRM
C#CCO[N-]C(=O)[C@]1(Cc2ccccc2)CCN(C)C1=O	ZINC000824483633	612993271	/nfs/dbraw/zinc/99/32/71/612993271.db2.gz	GXGRMANFZSLNRG-MRXNPFEDSA-N	-1	0	286.331	0.759	20	30		CCEDRM
C#CCO[C@H](C)C(=O)[N-]S(=O)(=O)CCOC(C)(C)C	ZINC000835916725	613002183	/nfs/dbraw/zinc/00/21/83/613002183.db2.gz	RDIZYUWDLWDRGB-SNVBAGLBSA-N	-1	0	291.369	0.286	20	30		CCEDRM
C#CCOc1cccc(NC(=O)N[C@H](COC)C(=O)[O-])c1	ZINC000797744891	613007418	/nfs/dbraw/zinc/00/74/18/613007418.db2.gz	YEJHOZIAPZNLSY-GFCCVEGCSA-N	-1	0	292.291	0.920	20	30		CCEDRM
C#CCOc1cccc(NC(=O)NCc2n[nH]c(=O)[n-]2)c1	ZINC000129068747	613007454	/nfs/dbraw/zinc/00/74/54/613007454.db2.gz	FEAVAGTWVTZWEY-UHFFFAOYSA-N	-1	0	287.279	0.432	20	30		CCEDRM
C#CC[C@@H](CCOC)N=c1nn[n-]n1Cc1ccccc1	ZINC000894827753	613018911	/nfs/dbraw/zinc/01/89/11/613018911.db2.gz	GRXRQZFERKPBIF-AWEZNQCLSA-N	-1	0	285.351	0.984	20	30		CCEDRM
COc1cccc2c(C([O-])=C(C#N)C(=O)NC3CC3)cnn21	ZINC000892497229	617311399	/nfs/dbraw/zinc/31/13/99/617311399.db2.gz	YESRAYCEHFFDCQ-JTQLQIEISA-N	-1	0	298.302	0.944	20	30		CCEDRM
C#CC[C@@H](CO)NC(=O)[C@@H]([N-]C(=O)C(F)(F)F)C(C)C	ZINC000816670146	613027716	/nfs/dbraw/zinc/02/77/16/613027716.db2.gz	MYGSCTFSUJFTNQ-IUCAKERBSA-N	-1	0	294.273	0.190	20	30		CCEDRM
C#CC[C@@H](NC(=O)CCc1cccc2c1OCO2)C(=O)[O-]	ZINC000910050069	613039790	/nfs/dbraw/zinc/03/97/90/613039790.db2.gz	DUHVVVUPVVFLCC-LLVKDONJSA-N	-1	0	289.287	0.941	20	30		CCEDRM
C#CC[C@@H](NC(=O)[C@@H](C)c1c(C)n[nH]c1C)C(=O)[O-]	ZINC000910051981	613040550	/nfs/dbraw/zinc/04/05/50/613040550.db2.gz	KLZTYDJBJWSFOZ-OIBJUYFYSA-N	-1	0	263.297	0.723	20	30		CCEDRM
C#CC[C@@H](NC(=O)[C@@H]1CCOC2(CCC2)C1)C(=O)[O-]	ZINC000910049002	613040710	/nfs/dbraw/zinc/04/07/10/613040710.db2.gz	QRGVWXZGCMUVHG-GHMZBOCLSA-N	-1	0	265.309	0.928	20	30		CCEDRM
C#CC[C@@H](NC(=O)[C@]12CCC[C@H]1OCC2)C(=O)[O-]	ZINC000910049671	613041613	/nfs/dbraw/zinc/04/16/13/613041613.db2.gz	ZFJHBMNSARKFSU-BREBYQMCSA-N	-1	0	251.282	0.538	20	30		CCEDRM
C#CC[C@@H](NC(=O)c1cnn(CC)c1C1CC1)C(=O)[O-]	ZINC000910049488	613042211	/nfs/dbraw/zinc/04/22/11/613042211.db2.gz	VUCAECOJILEATK-LLVKDONJSA-N	-1	0	275.308	0.987	20	30		CCEDRM
C#CCCS(=O)(=O)[N-]C(=O)/C=C/[C@@H]1CCCO1	ZINC000820894504	613052554	/nfs/dbraw/zinc/05/25/54/613052554.db2.gz	AOBYHJPKVFHOKQ-FGEFZZPRSA-N	-1	0	257.311	0.191	20	30		CCEDRM
C#CCCS(=O)(=O)[N-]C(=O)C1(COC)CCCC1	ZINC000838871948	613052587	/nfs/dbraw/zinc/05/25/87/613052587.db2.gz	SZDNHIQXENCFAS-UHFFFAOYSA-N	-1	0	273.354	0.663	20	30		CCEDRM
C#CCCS(=O)(=O)[N-]C(=O)c1ccc(OC)cc1F	ZINC000798202419	613053559	/nfs/dbraw/zinc/05/35/59/613053559.db2.gz	CZBZDTLTCFFYQY-UHFFFAOYSA-N	-1	0	285.296	0.917	20	30		CCEDRM
C#CCCS(=O)(=O)[N-]C(=O)c1cccnc1OC	ZINC000791111191	613053728	/nfs/dbraw/zinc/05/37/28/613053728.db2.gz	PVWLESAWFOJBHO-UHFFFAOYSA-N	-1	0	268.294	0.173	20	30		CCEDRM
C#CCCS(=O)(=O)[N-]C(=O)c1cnn(CC(C)C)c1C	ZINC000798202879	613053865	/nfs/dbraw/zinc/05/38/65/613053865.db2.gz	NQCXDTXCYHWSRM-UHFFFAOYSA-N	-1	0	297.380	0.930	20	30		CCEDRM
C#CCCS(=O)(=O)[N-]C(=O)c1ocnc1C1CC1	ZINC000810781643	613053945	/nfs/dbraw/zinc/05/39/45/613053945.db2.gz	GTAVMNUQXGVCJR-UHFFFAOYSA-N	-1	0	268.294	0.635	20	30		CCEDRM
C#CCN(C(=O)CCCn1ccc(C(=O)[O-])n1)C1CC1	ZINC000911406568	613065576	/nfs/dbraw/zinc/06/55/76/613065576.db2.gz	FBPMUZRQFWXPJY-UHFFFAOYSA-N	-1	0	275.308	0.986	20	30		CCEDRM
C#CC[C@H](COC)NS(=O)(=O)c1cc([O-])cc(F)c1	ZINC000867568075	613066619	/nfs/dbraw/zinc/06/66/19/613066619.db2.gz	FFKBPRQTWPKHOO-SNVBAGLBSA-N	-1	0	287.312	0.848	20	30		CCEDRM
C#CC[C@H](NC(=O)Cc1c(OC)cccc1OC)C(=O)[O-]	ZINC000910054700	613067997	/nfs/dbraw/zinc/06/79/97/613067997.db2.gz	RWQMKDJZZQAYFD-NSHDSACASA-N	-1	0	291.303	0.839	20	30		CCEDRM
C#CC[C@H](NC(=O)C[C@H](OCC)C(=C)C)C(=O)[O-]	ZINC000910048823	613068103	/nfs/dbraw/zinc/06/81/03/613068103.db2.gz	PGQYYKUTKLEEEY-QWRGUYRKSA-N	-1	0	253.298	0.950	20	30		CCEDRM
C#CC[C@H](NC(=O)C[C@@H]1CCOC[C@@H]1OCC)C(=O)[O-]	ZINC000910048068	613068105	/nfs/dbraw/zinc/06/81/05/613068105.db2.gz	CWWHBSIKBBWUEJ-SRVKXCTJSA-N	-1	0	283.324	0.411	20	30		CCEDRM
C#CCN(C(=O)c1n[nH]c(C)c1[O-])C1CSC1	ZINC000912366544	613070564	/nfs/dbraw/zinc/07/05/64/613070564.db2.gz	VZRWIZDNPXFWDE-UHFFFAOYSA-N	-1	0	251.311	0.615	20	30		CCEDRM
C#CCN(C)C(=O)c1cc(=O)n(-c2nc(C)cc(C)n2)[n-]1	ZINC000907681348	613072203	/nfs/dbraw/zinc/07/22/03/613072203.db2.gz	GUDIPRBCLMVIDF-UHFFFAOYSA-N	-1	0	285.307	0.278	20	30		CCEDRM
C#C[C@@H](NC(=O)N=c1nn[n-]n1CC)C(C)(C)C	ZINC000888325645	613095097	/nfs/dbraw/zinc/09/50/97/613095097.db2.gz	RPCZEZNPQPGWJM-MRVPVSSYSA-N	-1	0	250.306	0.284	20	30		CCEDRM
C#C[C@@H](NC(=O)NCC1(C(=O)[O-])CCC1)[C@H]1CCCO1	ZINC000851652717	613095379	/nfs/dbraw/zinc/09/53/79/613095379.db2.gz	XQMGZMPXLPFQLM-GHMZBOCLSA-N	-1	0	280.324	0.721	20	30		CCEDRM
C#CCN(CC#CC)C(=O)N[C@H](C)CCNC(=O)[O-]	ZINC000833787675	613099994	/nfs/dbraw/zinc/09/99/94/613099994.db2.gz	XNPIVYQZDJGJJC-LLVKDONJSA-N	-1	0	265.313	0.701	20	30		CCEDRM
C#CCN(CC#N)C(=O)c1ccc([N-]S(C)(=O)=O)nc1	ZINC000861521091	613101441	/nfs/dbraw/zinc/10/14/41/613101441.db2.gz	NZHXFAFKYKAJAZ-UHFFFAOYSA-N	-1	0	292.320	0.052	20	30		CCEDRM
C#C[C@@H]1CCCN(C(=O)NCC(=O)[N-]OCC)C1	ZINC000847389513	613104012	/nfs/dbraw/zinc/10/40/12/613104012.db2.gz	QRGKGDIEXQTDBZ-SNVBAGLBSA-N	-1	0	253.302	0.109	20	30		CCEDRM
C#C[C@H](C)NS(=O)(=O)c1ccccc1[N+](=O)[O-]	ZINC000124031679	613118973	/nfs/dbraw/zinc/11/89/73/613118973.db2.gz	AOPSYRURBPVLLW-QMMMGPOBSA-N	-1	0	254.267	0.895	20	30		CCEDRM
C#C[C@H](NC(=O)c1cccc(C(=O)[O-])n1)C1CCOCC1	ZINC000911792192	613149083	/nfs/dbraw/zinc/14/90/83/613149083.db2.gz	QUPIBGXHRFQOAF-NSHDSACASA-N	-1	0	288.303	0.938	20	30		CCEDRM
C#Cc1ccc(C(=O)N2CCO[C@@](C)(C(=O)[O-])C2)cc1	ZINC000910323410	613171156	/nfs/dbraw/zinc/17/11/56/613171156.db2.gz	OLDIJOHIPFLNSH-OAHLLOKOSA-N	-1	0	273.288	0.984	20	30		CCEDRM
C#Cc1cccc(CNC(=O)C(=O)N(C)CCC(=O)[O-])c1	ZINC000817115450	613198766	/nfs/dbraw/zinc/19/87/66/613198766.db2.gz	QJJQYLFPUHIMQQ-UHFFFAOYSA-N	-1	0	288.303	0.217	20	30		CCEDRM
C#Cc1cccc(NC(=O)C(=O)NC[C@H](CC)C(=O)[O-])c1	ZINC000926257255	613202803	/nfs/dbraw/zinc/20/28/03/613202803.db2.gz	NVCFBRLFALIESI-NSHDSACASA-N	-1	0	288.303	0.833	20	30		CCEDRM
C#Cc1cncc(C(=O)N2CCO[C@@](C)(C(=O)[O-])C2)c1	ZINC000910328412	613214392	/nfs/dbraw/zinc/21/43/92/613214392.db2.gz	NTYSVGYVJZXUTG-CQSZACIVSA-N	-1	0	274.276	0.379	20	30		CCEDRM
C#Cc1cncc(C(=O)N2C[C@H]3[C@H](C(=O)[O-])[C@H]3C2)c1	ZINC000910800548	613215783	/nfs/dbraw/zinc/21/57/83/613215783.db2.gz	WERZSMQOFQDWJW-GDNZZTSVSA-N	-1	0	256.261	0.466	20	30		CCEDRM
C=C(C)CN(C)C(=O)C(=O)Nc1cc(C(=O)[O-])n(C)c1	ZINC000833368408	613282391	/nfs/dbraw/zinc/28/23/91/613282391.db2.gz	HHKSFZAWWLTUOB-UHFFFAOYSA-N	-1	0	279.296	0.696	20	30		CCEDRM
C#CCNC(=O)CN1CCc2ccc(C(=O)[O-])cc2C1	ZINC000212073170	613330247	/nfs/dbraw/zinc/33/02/47/613330247.db2.gz	IGVPGLLAAXNYIV-UHFFFAOYSA-N	-1	0	272.304	0.492	20	30		CCEDRM
C=C(C)COCCNC(=O)N1CCCN(C(=O)[O-])CC1	ZINC000823480438	613351986	/nfs/dbraw/zinc/35/19/86/613351986.db2.gz	CEXUXGVOIAKORR-UHFFFAOYSA-N	-1	0	285.344	0.974	20	30		CCEDRM
C=C(C)CO[N-]C(=O)C(=O)Nc1ccn(CCCOC)n1	ZINC000846146431	613352343	/nfs/dbraw/zinc/35/23/43/613352343.db2.gz	OEKNIGHQOXSNBM-UHFFFAOYSA-N	-1	0	296.327	0.482	20	30		CCEDRM
C=C(C)CO[N-]C(=O)C(=O)Nc1cnn(CCF)c1	ZINC000861899829	613352383	/nfs/dbraw/zinc/35/23/83/613352383.db2.gz	XSBKEACSOPVYBF-UHFFFAOYSA-N	-1	0	270.264	0.415	20	30		CCEDRM
C=C(C)CO[N-]C(=O)C(=O)Nc1cnc(OC)c(OC)c1	ZINC000861898927	613352410	/nfs/dbraw/zinc/35/24/10/613352410.db2.gz	LUMZTVCMWBNFTQ-UHFFFAOYSA-N	-1	0	295.295	0.661	20	30		CCEDRM
C=C(C)CO[N-]C(=O)[C@H]1C[C@@H](O)CN1c1ccncn1	ZINC000824233822	613353856	/nfs/dbraw/zinc/35/38/56/613353856.db2.gz	YVEVTLRFZGSHBH-GHMZBOCLSA-N	-1	0	278.312	0.040	20	30		CCEDRM
C=C(C)CO[N-]C(=O)[C@H]1CCCCN1S(C)(=O)=O	ZINC000846537224	613353857	/nfs/dbraw/zinc/35/38/57/613353857.db2.gz	GQGZCYSIKORUML-SNVBAGLBSA-N	-1	0	276.358	0.424	20	30		CCEDRM
C=C(C)C[C@@H](NC(C)=O)C(=O)[N-]OCCCC(=O)OC	ZINC000888817926	613356439	/nfs/dbraw/zinc/35/64/39/613356439.db2.gz	MLKZELFVXLUDDI-LLVKDONJSA-N	-1	0	286.328	0.458	20	30		CCEDRM
C=C(C)C[C@H](NC(=O)Cc1ccn(C)n1)C(=O)[O-]	ZINC000910291182	613358671	/nfs/dbraw/zinc/35/86/71/613358671.db2.gz	GACOQVMLYTXKQG-JTQLQIEISA-N	-1	0	251.286	0.498	20	30		CCEDRM
C=C(C)C[C@H](NC(=O)Cn1ccnc1C)C(=O)[O-]	ZINC000910286452	613358834	/nfs/dbraw/zinc/35/88/34/613358834.db2.gz	IVCOECKPGQJOET-JTQLQIEISA-N	-1	0	251.286	0.727	20	30		CCEDRM
C=C(C)C[C@H](NC(=O)[C@H]1CCn2cncc2C1)C(=O)[O-]	ZINC000910291759	613359058	/nfs/dbraw/zinc/35/90/58/613359058.db2.gz	AUKCNQZFQQWCQM-JQWIXIFHSA-N	-1	0	277.324	0.981	20	30		CCEDRM
C=C(C)[C@@H](CC(=O)N1CC[C@@](O)(C(=O)[O-])C1)OCC	ZINC000910524411	613360166	/nfs/dbraw/zinc/36/01/66/613360166.db2.gz	BQONTIWUVGJRPT-MFKMUULPSA-N	-1	0	271.313	0.406	20	30		CCEDRM
C=C(C)[C@@H](CC(=O)N[C@@H]1CCCN(O)C1=O)OCC	ZINC000848134949	613360216	/nfs/dbraw/zinc/36/02/16/613360216.db2.gz	GVQIHTDRZWWTKQ-GHMZBOCLSA-N	-1	0	270.329	0.854	20	30		CCEDRM
C=C(C)[C@@H](CC(=O)N[C@H](CCOC)C(=O)[O-])OCC	ZINC000909627974	613360229	/nfs/dbraw/zinc/36/02/29/613360229.db2.gz	WVQSSSIECXJWIK-GHMZBOCLSA-N	-1	0	273.329	0.964	20	30		CCEDRM
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CCO[C@@H](C(=O)[O-])C1	ZINC000901452239	613361141	/nfs/dbraw/zinc/36/11/41/613361141.db2.gz	MMXXBCACHAMRKX-AXFHLTTASA-N	-1	0	269.297	0.280	20	30		CCEDRM
C=C(C)[C@H]1OCC[C@H]1C(=O)N(C)Cc1nc(=O)o[n-]1	ZINC000911446964	613362861	/nfs/dbraw/zinc/36/28/61/613362861.db2.gz	IGVFAQPPFRRWPG-PSASIEDQSA-N	-1	0	267.285	0.303	20	30		CCEDRM
C=C(Cl)CNS(=O)(=O)c1ccc(C(=O)[O-])nc1	ZINC000833371064	613383981	/nfs/dbraw/zinc/38/39/81/613383981.db2.gz	VGXCPRUMWHEFEX-UHFFFAOYSA-N	-1	0	276.701	0.811	20	30		CCEDRM
C=C(Cl)C[C@@H](NC(=O)NC[C@@H]1CCOC1)C(=O)[O-]	ZINC000864522911	613388579	/nfs/dbraw/zinc/38/85/79/613388579.db2.gz	FCMHUXWTDGMUES-DTWKUNHWSA-N	-1	0	276.720	0.918	20	30		CCEDRM
C=C(Cl)C[C@@H](NC(=O)c1ccn(C)c(=O)c1)C(=O)[O-]	ZINC000864181432	613388706	/nfs/dbraw/zinc/38/87/06/613388706.db2.gz	BJIDPDZTISEBSY-SECBINFHSA-N	-1	0	284.699	0.711	20	30		CCEDRM
C=C(Cl)C[C@H](NC(=O)Cn1nccc1C)C(=O)[O-]	ZINC000910265729	613390630	/nfs/dbraw/zinc/39/06/30/613390630.db2.gz	JKPLNZBBCNYCNN-VIFPVBQESA-N	-1	0	271.704	0.904	20	30		CCEDRM
C=CCS(=O)(=O)[N-]C(=O)c1n[nH]c2c1C[C@@H](C)CC2	ZINC000892883648	613394729	/nfs/dbraw/zinc/39/47/29/613394729.db2.gz	XYAZIUGDQNTICP-QMMMGPOBSA-N	-1	0	283.353	0.780	20	30		CCEDRM
C=CCS(=O)(=O)[N-]C(=O)c1cnn(CC2CC2)c1	ZINC000870256369	613394932	/nfs/dbraw/zinc/39/49/32/613394932.db2.gz	GKUDCFNFHBRGNX-UHFFFAOYSA-N	-1	0	269.326	0.539	20	30		CCEDRM
C=CC[C@@H](C)NC(=O)C[C@@H]1CN(C(=O)[O-])CCO1	ZINC000823490519	613400141	/nfs/dbraw/zinc/40/01/41/613400141.db2.gz	FKXDYIZVDNLVFG-NXEZZACHSA-N	-1	0	256.302	0.836	20	30		CCEDRM
C=CC[C@H](C(=O)N[C@@H](CO)C(=O)[O-])c1ccccc1	ZINC000911257883	613409783	/nfs/dbraw/zinc/40/97/83/613409783.db2.gz	ZEGWHUCHUFJIFJ-RYUDHWBXSA-N	-1	0	263.293	0.908	20	30		CCEDRM
C=C1CCC(CNC(=O)c2cnc([O-])n(C)c2=O)CC1	ZINC000830998465	613413946	/nfs/dbraw/zinc/41/39/46/613413946.db2.gz	VWKKUAPGTDFFCI-UHFFFAOYSA-N	-1	0	277.324	0.962	20	30		CCEDRM
C=CC[C@H](CC)NC(=O)Cn1[n-]cc2c(=O)ncnc1-2	ZINC000798550852	613414679	/nfs/dbraw/zinc/41/46/79/613414679.db2.gz	GMBMDMLWGSLLMF-VIFPVBQESA-N	-1	0	275.312	0.542	20	30		CCEDRM
CC(=O)N1CCN([C@@H](C(=O)[O-])c2cccc(C#N)c2)CC1	ZINC000825840481	613417718	/nfs/dbraw/zinc/41/77/18/613417718.db2.gz	KXXRGQNVYUSVJF-CQSZACIVSA-N	-1	0	287.319	0.848	20	30		CCEDRM
C=CC[C@H]1CCN(C(=O)C(=O)NCCCCC(=O)[O-])C1	ZINC000861721707	613421654	/nfs/dbraw/zinc/42/16/54/613421654.db2.gz	ASRDVMLNZLQERY-NSHDSACASA-N	-1	0	282.340	0.782	20	30		CCEDRM
C=CC[C@H]1CCN(C(=O)Cn2[n-]cc3c(=O)ncnc2-3)C1	ZINC000862543437	613421689	/nfs/dbraw/zinc/42/16/89/613421689.db2.gz	HUIHJFKSWCWVSX-JTQLQIEISA-N	-1	0	287.323	0.496	20	30		CCEDRM
C=CCn1cc(C(=O)N2CC[C@](F)(C(=O)[O-])C2)nn1	ZINC000844154483	613426895	/nfs/dbraw/zinc/42/68/95/613426895.db2.gz	CKMQOYJQYPORRL-LLVKDONJSA-N	-1	0	268.248	0.103	20	30		CCEDRM
C=C[C@@H](C)O[N-]C(=O)C(=O)Nc1cc(OC)ncn1	ZINC000846155501	613443295	/nfs/dbraw/zinc/44/32/95/613443295.db2.gz	XPCOGRMGANTSFJ-SSDOTTSWSA-N	-1	0	266.257	0.046	20	30		CCEDRM
C=C[C@@H](C)O[N-]C(=O)C(=O)Nc1ccc(OC)nc1	ZINC000846152061	613443351	/nfs/dbraw/zinc/44/33/51/613443351.db2.gz	MRSUKODBYOQQPC-MRVPVSSYSA-N	-1	0	265.269	0.651	20	30		CCEDRM
C=C[C@@H](C)O[N-]C(=O)Cn1nc2n(c1=O)CCCC2	ZINC000846553425	613444060	/nfs/dbraw/zinc/44/40/60/613444060.db2.gz	APUNMFWXDAOCJB-SECBINFHSA-N	-1	0	266.301	0.003	20	30		CCEDRM
C=CC(C)(C)C(=O)[N-]S(=O)(=O)c1cn(C)c(C)n1	ZINC000839018049	613444322	/nfs/dbraw/zinc/44/43/22/613444322.db2.gz	FUGFCVDWXOPOJN-UHFFFAOYSA-N	-1	0	271.342	0.746	20	30		CCEDRM
C=C[C@@H](CC)CC(=O)N1CCC[C@H]1C(=O)NCC(=O)[O-]	ZINC000907772497	613448281	/nfs/dbraw/zinc/44/82/81/613448281.db2.gz	QSNVXLPKZREWIG-QWRGUYRKSA-N	-1	0	282.340	0.781	20	30		CCEDRM
C=C[C@@H](O)C(=O)N(CCCOCC)C[C@@H](C)C(=O)[O-]	ZINC000908985297	613449424	/nfs/dbraw/zinc/44/94/24/613449424.db2.gz	VTLHIXOFZCTLNV-GHMZBOCLSA-N	-1	0	273.329	0.509	20	30		CCEDRM
C=C[C@@H](O)C(=O)N1CCC(n2ncc(C(=O)[O-])c2C)CC1	ZINC000909819694	613450260	/nfs/dbraw/zinc/45/02/60/613450260.db2.gz	MBERHWUAUKYIOC-GFCCVEGCSA-N	-1	0	293.323	0.600	20	30		CCEDRM
C=CC1(S(=O)(=O)[N-]C(=O)C2CCOCC2)CC1	ZINC000870831038	613450364	/nfs/dbraw/zinc/45/03/64/613450364.db2.gz	MPORYVUSLLCJAO-UHFFFAOYSA-N	-1	0	259.327	0.578	20	30		CCEDRM
C=CC1(S(=O)(=O)[N-]C(=O)[C@H](OC)C2CCC2)CC1	ZINC000870839385	613451660	/nfs/dbraw/zinc/45/16/60/613451660.db2.gz	JTRNOJDWIGRVGR-SNVBAGLBSA-N	-1	0	273.354	0.966	20	30		CCEDRM
C=CC1(S(=O)(=O)[N-]C(=O)[C@H](C)Cn2ccc(C)n2)CC1	ZINC000870840459	613451697	/nfs/dbraw/zinc/45/16/97/613451697.db2.gz	SAPHQJTZWSVNNZ-SNVBAGLBSA-N	-1	0	297.380	0.992	20	30		CCEDRM
C=CC1(S(=O)(=O)[N-]C(=O)c2ccc(C#N)n2C)CC1	ZINC000870837331	613451893	/nfs/dbraw/zinc/45/18/93/613451893.db2.gz	HPALTFFJAANXNF-UHFFFAOYSA-N	-1	0	279.321	0.675	20	30		CCEDRM
C=CCC(F)(F)C(=O)[N-]S(=O)(=O)c1cnn(C)c1C	ZINC000816093818	613454872	/nfs/dbraw/zinc/45/48/72/613454872.db2.gz	AKEROHNEKHHPLS-UHFFFAOYSA-N	-1	0	293.295	0.745	20	30		CCEDRM
C=CCC(F)(F)C(=O)[N-]S(=O)(=O)[C@H]1CCOC1	ZINC000815948856	613454889	/nfs/dbraw/zinc/45/48/89/613454889.db2.gz	WLXPZWLVTDQUMA-ZETCQYMHSA-N	-1	0	269.269	0.433	20	30		CCEDRM
C=CCC1(S(=O)(=O)[N-]C(=O)CSCC#N)CC1	ZINC000810984815	613460744	/nfs/dbraw/zinc/46/07/44/613460744.db2.gz	OLRMECUAYIIAEM-UHFFFAOYSA-N	-1	0	274.367	0.798	20	30		CCEDRM
C=CCC1(S(=O)(=O)[N-]C(=O)C2CC(OC)C2)CC1	ZINC000860774053	613460878	/nfs/dbraw/zinc/46/08/78/613460878.db2.gz	UODCUPJFUMWGBK-UHFFFAOYSA-N	-1	0	273.354	0.966	20	30		CCEDRM
C=CCC1(S(=O)(=O)[N-]C(=O)[C@@H]2C[C@]23CCOC3)CC1	ZINC000810980232	613461424	/nfs/dbraw/zinc/46/14/24/613461424.db2.gz	SDXCPKBONAXQRB-JQWIXIFHSA-N	-1	0	285.365	0.968	20	30		CCEDRM
C=CCCC(=O)N1CCO[C@H]([C@@H](C)NC(=O)[O-])C1	ZINC000823490927	613462398	/nfs/dbraw/zinc/46/23/98/613462398.db2.gz	NVPVFQQYORSBRU-ZJUUUORDSA-N	-1	0	256.302	0.836	20	30		CCEDRM
C=CCCC(=O)N[C@H]1CCCCN(CC(=O)[O-])C1=O	ZINC000902434717	613463013	/nfs/dbraw/zinc/46/30/13/613463013.db2.gz	YJHMTWZZSOECRU-JTQLQIEISA-N	-1	0	268.313	0.535	20	30		CCEDRM
C=CCCCC(=O)[N-]S(=O)(=O)c1cn(C)nc1C	ZINC000809036895	613464763	/nfs/dbraw/zinc/46/47/63/613464763.db2.gz	CCCWXEZLFDOMPA-UHFFFAOYSA-N	-1	0	271.342	0.890	20	30		CCEDRM
C=C[C@@H]1OCC[C@H]1CNC(=O)N[C@@](C)(COC)C(=O)[O-]	ZINC000909237766	613469695	/nfs/dbraw/zinc/46/96/95/613469695.db2.gz	LAXCFQXEAIUNLG-KWBADKCTSA-N	-1	0	286.328	0.366	20	30		CCEDRM
C=CCCC[C@@H](NC(=O)[C@H]1CC(=O)N(C2CC2)C1)C(=O)[O-]	ZINC000910914842	613471038	/nfs/dbraw/zinc/47/10/38/613471038.db2.gz	LJNPMJRKJRGMFQ-CMPLNLGQSA-N	-1	0	294.351	0.923	20	30		CCEDRM
C=C[C@@](C)(O)C(=O)N1C[C@@H]2CCC[C@]2(C(=O)[O-])C1	ZINC000910419460	613477919	/nfs/dbraw/zinc/47/79/19/613477919.db2.gz	WHMBAOQALINJBM-BIMULSAOSA-N	-1	0	253.298	0.637	20	30		CCEDRM
C=C[C@@](C)(O)CC(=O)N[C@@H](c1nnn[n-]1)c1ccccc1	ZINC000810189208	613480436	/nfs/dbraw/zinc/48/04/36/613480436.db2.gz	MKBGHPZEKVIRCD-TZMCWYRMSA-N	-1	0	287.323	0.732	20	30		CCEDRM
C=C[C@H](C)NS(=O)(=O)c1ccc(F)c(-c2nn[nH]n2)c1	ZINC000819729494	613483261	/nfs/dbraw/zinc/48/32/61/613483261.db2.gz	HONFSHWZHCMQGY-ZETCQYMHSA-N	-1	0	297.315	0.859	20	30		CCEDRM
C=C[C@H](C)O[N-]C(=O)[C@@H]1OCCO[C@@H]1C(F)(F)F	ZINC000869153622	613488221	/nfs/dbraw/zinc/48/82/21/613488221.db2.gz	DIYYKHADNKMFHZ-RNJXMRFFSA-N	-1	0	269.219	0.955	20	30		CCEDRM
C=C[C@H](C)O[N-]C(=O)[C@@H]1CSCN1C(=O)CC	ZINC000846544341	613488310	/nfs/dbraw/zinc/48/83/10/613488310.db2.gz	GJMMOCQEUBXMOR-IUCAKERBSA-N	-1	0	258.343	0.920	20	30		CCEDRM
C=C[C@H](O)C(=O)N1CC[C@H](C(=O)[O-])[C@@H]2CCC[C@@H]21	ZINC000910246158	613494934	/nfs/dbraw/zinc/49/49/34/613494934.db2.gz	NPAWJQUFTQWMSL-NAKRPEOUSA-N	-1	0	253.298	0.635	20	30		CCEDRM
C=C[C@H](O)C(=O)N[C@@]1(C(=O)[O-])C[C@H](OCC)C1(C)C	ZINC000909603813	613496792	/nfs/dbraw/zinc/49/67/92/613496792.db2.gz	UWUZKPQIDIKKSX-MWODSPESSA-N	-1	0	271.313	0.308	20	30		CCEDRM
C=C[C@H](O)C(=O)N[C@@](C)(CC(=O)[O-])c1ccccn1	ZINC000911616941	613496904	/nfs/dbraw/zinc/49/69/04/613496904.db2.gz	SJAKPBHMYKYZJZ-ZANVPECISA-N	-1	0	264.281	0.435	20	30		CCEDRM
C=C[C@](C)(O)C(=O)N[C@@H](CC(F)(F)F)C(=O)[O-]	ZINC000909667632	613508341	/nfs/dbraw/zinc/50/83/41/613508341.db2.gz	VWRSYQROVWPYHS-XNCJUZBTSA-N	-1	0	255.192	0.445	20	30		CCEDRM
C=C[C@](C)(O)CC(=O)N1CCSC[C@@H]1c1nnn[n-]1	ZINC000907479109	613508925	/nfs/dbraw/zinc/50/89/25/613508925.db2.gz	JJRGBSAUUQHSTN-KCJUWKMLSA-N	-1	0	283.357	0.143	20	30		CCEDRM
C=CCCOCC(=O)N1CC[C@@H](N(C)C(=O)[O-])C1	ZINC000823496582	613571618	/nfs/dbraw/zinc/57/16/18/613571618.db2.gz	MCIBGPCNSZITSV-SNVBAGLBSA-N	-1	0	256.302	0.790	20	30		CCEDRM
C=CCCO[N-]C(=O)CN1C(=O)N[C@](C)(C2CC2)C1=O	ZINC000856029450	613576589	/nfs/dbraw/zinc/57/65/89/613576589.db2.gz	OAYSXDQCKRATOM-CYBMUJFWSA-N	-1	0	281.312	0.331	20	30		CCEDRM
C=CCCS(=O)(=O)N[C@@H](CNC(=O)[O-])C1CC1	ZINC000823501385	613581741	/nfs/dbraw/zinc/58/17/41/613581741.db2.gz	WFISYQCZANETOW-VIFPVBQESA-N	-1	0	262.331	0.528	20	30		CCEDRM
C=CCC[C@@H](NC(=O)CCCn1cncn1)C(=O)[O-]	ZINC000909712077	613584354	/nfs/dbraw/zinc/58/43/54/613584354.db2.gz	GYCDPGWBMHGVKH-SNVBAGLBSA-N	-1	0	266.301	0.594	20	30		CCEDRM
C=CCC[C@@H](NC(=O)c1cnnn1CC)C(=O)[O-]	ZINC000909712096	613585784	/nfs/dbraw/zinc/58/57/84/613585784.db2.gz	HNCHAWYYEHBFMM-MRVPVSSYSA-N	-1	0	252.274	0.447	20	30		CCEDRM
C=CCC[C@H](NC(=O)c1cnn(CCOC)c1)C(=O)[O-]	ZINC000909717424	613590489	/nfs/dbraw/zinc/59/04/89/613590489.db2.gz	ZPQWNZXRACNKHJ-NSHDSACASA-N	-1	0	281.312	0.679	20	30		CCEDRM
C=CCN(CC(=O)[O-])C(=O)NCc1ccc(OC)cn1	ZINC000909023298	613642786	/nfs/dbraw/zinc/64/27/86/613642786.db2.gz	XOGAZEKBTMKSEH-UHFFFAOYSA-N	-1	0	279.296	0.872	20	30		CCEDRM
C=CCN(CC(=O)[O-])C(=O)c1cn(CCC)nn1	ZINC000909514876	613643819	/nfs/dbraw/zinc/64/38/19/613643819.db2.gz	MRRLSGBVRGZGJQ-UHFFFAOYSA-N	-1	0	252.274	0.401	20	30		CCEDRM
CC#CCOC(=O)C1(OC)CCN(C(=O)[O-])CC1	ZINC000823521473	613645224	/nfs/dbraw/zinc/64/52/24/613645224.db2.gz	CVAGLLLIUNROPZ-UHFFFAOYSA-N	-1	0	255.270	0.712	20	30		CCEDRM
CC#CCS(=O)(=O)[N-]C(=O)/C=C\c1ccco1	ZINC000810772885	613645586	/nfs/dbraw/zinc/64/55/86/613645586.db2.gz	JECFDJGJRJYVBV-SREVYHEPSA-N	-1	0	253.279	0.762	20	30		CCEDRM
CC#CCS(=O)(=O)[N-]C(=O)C[C@H](C)n1cccc1	ZINC000810773304	613646134	/nfs/dbraw/zinc/64/61/34/613646134.db2.gz	YOADLUOBWFAFCN-NSHDSACASA-N	-1	0	268.338	0.909	20	30		CCEDRM
CC#CCS(=O)(=O)[N-]C(=O)Cc1cccnc1	ZINC000810775927	613646189	/nfs/dbraw/zinc/64/61/89/613646189.db2.gz	AAKKGYCEJFASPU-UHFFFAOYSA-N	-1	0	252.295	0.093	20	30		CCEDRM
CC#CCS(=O)(=O)[N-]C(=O)[C@@H]1CCOC[C@H]1C	ZINC000810773925	613646665	/nfs/dbraw/zinc/64/66/65/613646665.db2.gz	PLHQAAHEORMWFO-NXEZZACHSA-N	-1	0	259.327	0.128	20	30		CCEDRM
CC#CCS(=O)(=O)[N-]C(=O)[C@H]1C[C@@H]1C(F)F	ZINC000810773660	613646999	/nfs/dbraw/zinc/64/69/99/613646999.db2.gz	KNWHILQJOZEZFX-BQBZGAKWSA-N	-1	0	251.254	0.357	20	30		CCEDRM
CC#CCS(=O)(=O)[N-]C(=O)[C@H]1C[C@@H](C(C)=O)C1(C)C	ZINC000788070946	613647012	/nfs/dbraw/zinc/64/70/12/613647012.db2.gz	NKLVRVGRTXGKHY-WDEREUQCSA-N	-1	0	285.365	0.707	20	30		CCEDRM
CC#CCS(=O)(=O)[N-]C(=O)[C@H]1CCC(=O)C[C@H]1C	ZINC000798202605	613647091	/nfs/dbraw/zinc/64/70/91/613647091.db2.gz	IDUQAZXHXLRFKJ-KOLCDFICSA-N	-1	0	271.338	0.461	20	30		CCEDRM
CC#CCS(=O)(=O)[N-]C(=O)c1c(Cl)cnn1CC	ZINC000857022395	613647422	/nfs/dbraw/zinc/64/74/22/613647422.db2.gz	BXJOOHVLGZOLQE-UHFFFAOYSA-N	-1	0	289.744	0.639	20	30		CCEDRM
CC#CC[C@@H](NS(=O)(=O)CC1(F)CCC1)C(=O)[O-]	ZINC000903832656	613650420	/nfs/dbraw/zinc/65/04/20/613650420.db2.gz	CJAZHZIWKZRCJN-SECBINFHSA-N	-1	0	277.317	0.665	20	30		CCEDRM
CC(=NN[C@@H]1CCO[C@H](C)C1)c1cn(CC(=O)[O-])nn1	ZINC000833386725	613656635	/nfs/dbraw/zinc/65/66/35/613656635.db2.gz	WDDKHFQLBKJSQV-PSASIEDQSA-N	-1	0	281.316	0.244	20	30		CCEDRM
CC(=O)CC1(C(=O)N[C@H]2CCN(O)C2=O)CCC1	ZINC000820144288	613667692	/nfs/dbraw/zinc/66/76/92/613667692.db2.gz	SMCJTVRIEQMTQM-VIFPVBQESA-N	-1	0	254.286	0.242	20	30		CCEDRM
C=CCNC(=O)C(C#N)=C([O-])c1cnn(CCOCC)c1	ZINC000857010875	613852951	/nfs/dbraw/zinc/85/29/51/613852951.db2.gz	ZHTMHCJLCSAAEZ-LBPRGKRZSA-N	-1	0	290.323	0.544	20	30		CCEDRM
C=CCNC(=O)[C@@H](C)OC(=O)c1ccc(CNC(=O)[O-])o1	ZINC000823506936	613854148	/nfs/dbraw/zinc/85/41/48/613854148.db2.gz	PJLBOHBHNAYJMS-MRVPVSSYSA-N	-1	0	296.279	0.895	20	30		CCEDRM
C=CCNC(=O)C(C#N)=C([O-])c1cnc2c(c1)c(C)nn2C	ZINC000916918390	613854925	/nfs/dbraw/zinc/85/49/25/613854925.db2.gz	SSFKPGBQMXZTNY-GFCCVEGCSA-N	-1	0	297.318	0.901	20	30		CCEDRM
C=CCNC(=O)C(C#N)=C([O-])c1ccc(-n2cnnn2)cc1	ZINC000916917566	613855041	/nfs/dbraw/zinc/85/50/41/613855041.db2.gz	LLYAZOXZVVODNO-GFCCVEGCSA-N	-1	0	296.290	0.287	20	30		CCEDRM
C=CCNC(=O)C(C#N)=C([O-])c1cc(C2CC2)[nH]n1	ZINC000916921646	613855044	/nfs/dbraw/zinc/85/50/44/613855044.db2.gz	WMPATUOWHQLVGJ-SECBINFHSA-N	-1	0	258.281	0.912	20	30		CCEDRM
C=CCOCC(=O)[N-]S(=O)(=O)c1nc(CC)cs1	ZINC000835593688	613879452	/nfs/dbraw/zinc/87/94/52/613879452.db2.gz	PWVOLYKUABJZIM-UHFFFAOYSA-N	-1	0	290.366	0.713	20	30		CCEDRM
C=CCOCCCC(=O)N1CCO[C@](C)(C(=O)[O-])C1	ZINC000910321854	613879618	/nfs/dbraw/zinc/87/96/18/613879618.db2.gz	BUMZMHIVETURCU-ZDUSSCGKSA-N	-1	0	271.313	0.671	20	30		CCEDRM
C=CCOCCNC(=O)CC[C@@H]1C[C@H](C(=O)[O-])CO1	ZINC000872734117	613880622	/nfs/dbraw/zinc/88/06/22/613880622.db2.gz	YBPHZIZIUAKXOD-WDEREUQCSA-N	-1	0	271.313	0.575	20	30		CCEDRM
C=CCOCC[N-]S(=O)(=O)N=[S@@](C)(=O)C(C)(C)C	ZINC000872470532	613881130	/nfs/dbraw/zinc/88/11/30/613881130.db2.gz	HBGOTAZIEBSFDR-KRWDZBQOSA-N	-1	0	298.430	0.920	20	30		CCEDRM
C=CCOC[C@@H](NC(=O)N[C@@H]1CC12CCC2)C(=O)[O-]	ZINC000909041667	613881668	/nfs/dbraw/zinc/88/16/68/613881668.db2.gz	SLWMEDSINKBHGB-NXEZZACHSA-N	-1	0	268.313	0.884	20	30		CCEDRM
C=CCOC[C@@H](NC(=O)[C@@](C)(C#N)CC)C(=O)[O-]	ZINC000923078375	613881729	/nfs/dbraw/zinc/88/17/29/613881729.db2.gz	GNBNREBOJUZJNT-BXKDBHETSA-N	-1	0	254.286	0.698	20	30		CCEDRM
C=CCOC[C@@H](NC(=O)c1cnn(C2CCC2)c1)C(=O)[O-]	ZINC000907670231	613881894	/nfs/dbraw/zinc/88/18/94/613881894.db2.gz	XRYIVYMWVLQLBY-GFCCVEGCSA-N	-1	0	293.323	0.994	20	30		CCEDRM
C=CCOC[C@H](NC(=O)/C=C(\C)COC)C(=O)[O-]	ZINC000846118916	613882231	/nfs/dbraw/zinc/88/22/31/613882231.db2.gz	DFGFLBDKYMGPSY-ZKXNXJMVSA-N	-1	0	257.286	0.351	20	30		CCEDRM
C=CCOC[C@H](NC(=O)N[C@@H]1CO[C@H](C)C1)C(=O)[O-]	ZINC000909038578	613882489	/nfs/dbraw/zinc/88/24/89/613882489.db2.gz	YNAIZIPAPTUZCR-UTLUCORTSA-N	-1	0	272.301	0.119	20	30		CCEDRM
C=CCOC[C@H](NC(=O)[C@H]1CCCCN1C)C(=O)[O-]	ZINC000909765297	613882539	/nfs/dbraw/zinc/88/25/39/613882539.db2.gz	BAJFUBJRXMEFNB-WDEREUQCSA-N	-1	0	270.329	0.243	20	30		CCEDRM
C=CCOC[C@H](NC(=O)c1ccn(C)c1CC)C(=O)[O-]	ZINC000909770347	613882692	/nfs/dbraw/zinc/88/26/92/613882692.db2.gz	FQGQTFBSELFRGO-NSHDSACASA-N	-1	0	280.324	0.973	20	30		CCEDRM
C=CCO[N-]C(=O)[C@@H]1CCCN1C(=O)NC(C)C	ZINC000837047312	613884451	/nfs/dbraw/zinc/88/44/51/613884451.db2.gz	GIGXIIVMTSNOTB-JTQLQIEISA-N	-1	0	255.318	0.803	20	30		CCEDRM
C=CCO[N-]C(=O)[C@@H]1COc2ccc(O)cc2O1	ZINC000868764245	613884461	/nfs/dbraw/zinc/88/44/61/613884461.db2.gz	YPKDOPAKVVHKQV-NSHDSACASA-N	-1	0	251.238	0.766	20	30		CCEDRM
C=CCS(=O)(=O)CCNC(=O)c1cccc(C(=O)[O-])c1	ZINC000819720099	613885546	/nfs/dbraw/zinc/88/55/46/613885546.db2.gz	HTUXWXQLDDPJFI-UHFFFAOYSA-N	-1	0	297.332	0.715	20	30		CCEDRM
C=CCS(=O)(=O)[N-]C(=O)CCCOCCOCC	ZINC000850912428	613886097	/nfs/dbraw/zinc/88/60/97/613886097.db2.gz	AIZFQCGKFNVPIP-UHFFFAOYSA-N	-1	0	279.358	0.452	20	30		CCEDRM
C=CCS(=O)(=O)[N-]C(=O)C[C@H](C)[C@H]1CCCO1	ZINC000850912512	613886159	/nfs/dbraw/zinc/88/61/59/613886159.db2.gz	CNQHLNJKSOFMHY-VHSXEESVSA-N	-1	0	261.343	0.824	20	30		CCEDRM
C=CCS(=O)(=O)[N-]C(=O)[C@H](CC(=C)C)NC(C)=O	ZINC000850913939	613886236	/nfs/dbraw/zinc/88/62/36/613886236.db2.gz	XKXTWNDXYRMVIZ-JTQLQIEISA-N	-1	0	274.342	0.089	20	30		CCEDRM
C=CCS(=O)(=O)[N-]C(=O)c1cc(C)nn1CC	ZINC000132801267	613886340	/nfs/dbraw/zinc/88/63/40/613886340.db2.gz	QQRRTRLMVPMNTF-UHFFFAOYSA-N	-1	0	257.315	0.457	20	30		CCEDRM
C=CCS(=O)(=O)[N-]C(=O)c1ccc(C(=O)OCC)cn1	ZINC000815997202	613886356	/nfs/dbraw/zinc/88/63/56/613886356.db2.gz	DSEBVUGYCBYHKV-UHFFFAOYSA-N	-1	0	298.320	0.504	20	30		CCEDRM
CC(C)NC(=O)CN[C@H](C(=O)[O-])c1cccc(C#N)c1	ZINC000826972004	613920159	/nfs/dbraw/zinc/92/01/59/613920159.db2.gz	VFYMCZGGGOXYRK-ZDUSSCGKSA-N	-1	0	275.308	0.798	20	30		CCEDRM
CC(C)CCn1cc(C(=O)N[C@H]2CCN(O)C2=O)nn1	ZINC000816692289	614063063	/nfs/dbraw/zinc/06/30/63/614063063.db2.gz	KUINADXKOPQJDZ-VIFPVBQESA-N	-1	0	281.316	0.044	20	30		CCEDRM
CC(C)S(=O)(=O)NN=C1CCC(C(=O)[O-])CC1	ZINC000814827182	614069262	/nfs/dbraw/zinc/06/92/62/614069262.db2.gz	YCVLBGHJPANWHU-UHFFFAOYSA-N	-1	0	262.331	0.945	20	30		CCEDRM
CC(C)SCC(=O)N1CCN(C(=O)[O-])C[C@@H]1C#N	ZINC000824431852	614069961	/nfs/dbraw/zinc/06/99/61/614069961.db2.gz	UBZXFNFOHOYKPZ-VIFPVBQESA-N	-1	0	271.342	0.842	20	30		CCEDRM
CC(C)CS(=O)(=O)[N-]C(=O)c1ccc(C#N)nc1	ZINC000115910919	614178307	/nfs/dbraw/zinc/17/83/07/614178307.db2.gz	MCEZOXRJTDZQLD-UHFFFAOYSA-N	-1	0	267.310	0.669	20	30		CCEDRM
CC(C)[C@H](C#N)NC(=O)CO[C@@H]1CCCN(C(=O)[O-])C1	ZINC000824057236	614187120	/nfs/dbraw/zinc/18/71/20/614187120.db2.gz	PSHCFTNDFVZLHP-MNOVXSKESA-N	-1	0	283.328	0.810	20	30		CCEDRM
CC(C)(C)C#CC(=O)N1CCSC[C@H]1c1nnn[n-]1	ZINC000907479301	614314847	/nfs/dbraw/zinc/31/48/47/614314847.db2.gz	BLXOUIOEVFFVBH-VIFPVBQESA-N	-1	0	279.369	0.866	20	30		CCEDRM
CC(C)c1nnc(COC(=O)[C@@](C)(C#N)CC(=O)[O-])n1C	ZINC000820061213	614334601	/nfs/dbraw/zinc/33/46/01/614334601.db2.gz	ABHXDLDCTAJTFZ-CYBMUJFWSA-N	-1	0	294.311	0.986	20	30		CCEDRM
CCCN(C)S(=O)(=O)[N-]C(=O)c1cccc(C#N)n1	ZINC000810626872	614524997	/nfs/dbraw/zinc/52/49/97/614524997.db2.gz	JHQAGZGZTHPXAP-UHFFFAOYSA-N	-1	0	282.325	0.270	20	30		CCEDRM
CCCN(CCC)C(=O)CN(CC#N)CC(=O)[O-]	ZINC000829491983	614575744	/nfs/dbraw/zinc/57/57/44/614575744.db2.gz	LMVWTZJGUZUJLD-UHFFFAOYSA-N	-1	0	255.318	0.545	20	30		CCEDRM
CCCCCCCC(=O)[N-]S(=O)(=O)CC(=O)OC	ZINC000838802394	614900500	/nfs/dbraw/zinc/90/05/00/614900500.db2.gz	FUMMMTVYBPXYKC-UHFFFAOYSA-N	-1	0	279.358	0.966	20	30		CCEDRM
CCCCCCNC(=O)C(C#N)=C([O-])c1cnnn1C	ZINC000798815458	614912787	/nfs/dbraw/zinc/91/27/87/614912787.db2.gz	UTOVPWZBIPPOEQ-JTQLQIEISA-N	-1	0	277.328	0.834	20	30		CCEDRM
CCCCCC[C@H](C)NN=C1C(=O)[N-]C(=O)NC1=O	ZINC000814222629	614917055	/nfs/dbraw/zinc/91/70/55/614917055.db2.gz	QNZZJMJLQVNVFG-QMMMGPOBSA-N	-1	0	268.317	0.657	20	30		CCEDRM
CC1(OCC(=O)N2CCN(C(=O)[O-])C[C@H]2C#N)CCC1	ZINC000825766207	614932872	/nfs/dbraw/zinc/93/28/72/614932872.db2.gz	LWLMMAOVESOQKO-SNVBAGLBSA-N	-1	0	281.312	0.660	20	30		CCEDRM
CCC[C@@H](CNC(=O)[C@]1(C#N)CCCOC1)C(=O)[O-]	ZINC000923080951	614988150	/nfs/dbraw/zinc/98/81/50/614988150.db2.gz	KVXSLPYRYRENQG-GWCFXTLKSA-N	-1	0	268.313	0.924	20	30		CCEDRM
CCC[C@@H](NC(=O)[C@@]1(C#N)CCCOC1)C(=O)[O-]	ZINC000908011897	614992536	/nfs/dbraw/zinc/99/25/36/614992536.db2.gz	LFSTXJRNBSWLPF-BXKDBHETSA-N	-1	0	254.286	0.676	20	30		CCEDRM
CCN(CC)S(=O)(=O)N1CCC[C@@H](C#CC(=O)[O-])C1	ZINC000899929456	615006363	/nfs/dbraw/zinc/00/63/63/615006363.db2.gz	DOFKVBPDRIVPNJ-NSHDSACASA-N	-1	0	288.369	0.373	20	30		CCEDRM
CCN(CCC#N)C(=O)C[C@H]1CN(C(=O)[O-])CCO1	ZINC000827112009	615023330	/nfs/dbraw/zinc/02/33/30/615023330.db2.gz	VBDCOICBFBATBE-JTQLQIEISA-N	-1	0	269.301	0.517	20	30		CCEDRM
CCN(CCCNC(=O)NCCCC#N)C(=O)[O-]	ZINC000833858606	615043009	/nfs/dbraw/zinc/04/30/09/615043009.db2.gz	KVWLHBFJQTZFFM-UHFFFAOYSA-N	-1	0	256.306	0.979	20	30		CCEDRM
CCOC(=O)c1cc(NC(=O)[C@@](C)(C#N)CC(=O)[O-])[nH]n1	ZINC000820368989	615178245	/nfs/dbraw/zinc/17/82/45/615178245.db2.gz	DQSHKQFSKQOAPU-GFCCVEGCSA-N	-1	0	294.267	0.529	20	30		CCEDRM
CCOC(=O)CN(C)C(=O)[C@](C)(C#N)CC(=O)[O-]	ZINC000820364373	615187406	/nfs/dbraw/zinc/18/74/06/615187406.db2.gz	FQRRLTBUCQTSQC-NSHDSACASA-N	-1	0	256.258	0.012	20	30		CCEDRM
CCOCCCNC(=O)C(C#N)=C([O-])c1cc(C)n(C)n1	ZINC000917520732	615245413	/nfs/dbraw/zinc/24/54/13/615245413.db2.gz	ZVEOHNICDABESE-LLVKDONJSA-N	-1	0	292.339	0.594	20	30		CCEDRM
CCOC[C@H](C(=O)[O-])N(C)C(=O)c1ccc(C#N)cn1	ZINC000829966752	615313128	/nfs/dbraw/zinc/31/31/28/615313128.db2.gz	NSCRNLJEFNLLLX-LLVKDONJSA-N	-1	0	277.280	0.515	20	30		CCEDRM
CCS(=O)(=O)N[C@H](C)C(=O)Nc1cc(C#N)ccc1[O-]	ZINC000831272611	615351961	/nfs/dbraw/zinc/35/19/61/615351961.db2.gz	XQNUHSZGEKAUCU-MRVPVSSYSA-N	-1	0	297.336	0.530	20	30		CCEDRM
CCO[N-]C(=O)C(=O)Nc1ccc(C#N)c(F)c1	ZINC000810400920	615355475	/nfs/dbraw/zinc/35/54/75/615355475.db2.gz	SDCTXSUJUVJYEG-UHFFFAOYSA-N	-1	0	251.217	0.704	20	30		CCEDRM
CCO[N-]C(=O)CNC(=O)NCC1(CC#N)CC1	ZINC000845535391	615362813	/nfs/dbraw/zinc/36/28/13/615362813.db2.gz	KPEQJOUZROFCIU-UHFFFAOYSA-N	-1	0	254.290	0.047	20	30		CCEDRM
CCO[N-]C(=O)CNS(=O)(=O)c1cccc(C)c1C#N	ZINC000846003754	615375531	/nfs/dbraw/zinc/37/55/31/615375531.db2.gz	MYYOUGAJGFDLFN-UHFFFAOYSA-N	-1	0	297.336	0.213	20	30		CCEDRM
CCO[C@@H](C)C(=O)[N-]S(=O)(=O)c1cncc(C#N)c1	ZINC000813981517	615399930	/nfs/dbraw/zinc/39/99/30/615399930.db2.gz	DEBQGOSFTHDADZ-QMMMGPOBSA-N	-1	0	283.309	0.183	20	30		CCEDRM
CC[C@@H](NC(=O)[C@H](O)c1ccc(C#N)cc1)C(=O)[O-]	ZINC000820410658	615530610	/nfs/dbraw/zinc/53/06/10/615530610.db2.gz	GJAPFPILWKBLGA-GHMZBOCLSA-N	-1	0	262.265	0.571	20	30		CCEDRM
CC[C@@H](NN=C(C)c1nn(C)cc1OC)C(=O)[O-]	ZINC000901246540	615536283	/nfs/dbraw/zinc/53/62/83/615536283.db2.gz	PKEAKBBXYGPVCJ-MRVPVSSYSA-N	-1	0	254.290	0.606	20	30		CCEDRM
CC[C@H](C#N)NS(=O)(=O)c1c[nH]c(C(=O)[O-])c1	ZINC000833636139	615599972	/nfs/dbraw/zinc/59/99/72/615599972.db2.gz	JFLUQEULQDJQMH-ZCFIWIBFSA-N	-1	0	257.271	0.293	20	30		CCEDRM
CCc1cccc(C(=O)[N-]S(=O)(=O)CCC#N)n1	ZINC000835410688	615680663	/nfs/dbraw/zinc/68/06/63/615680663.db2.gz	YNBCNFGHWJLEDD-UHFFFAOYSA-N	-1	0	267.310	0.617	20	30		CCEDRM
CCn1ncn(N=Cc2ccc(OCC(=O)[O-])cc2)c1=O	ZINC000814235318	615729402	/nfs/dbraw/zinc/72/94/02/615729402.db2.gz	FLQXLBWTCXDNLC-UHFFFAOYSA-N	-1	0	290.279	0.410	20	30		CCEDRM
CCn1nncc1C([O-])=C(C#N)C(=O)NC1CCCC1	ZINC000815913189	615752238	/nfs/dbraw/zinc/75/22/38/615752238.db2.gz	JYAAPSHJMNPRHU-JTQLQIEISA-N	-1	0	275.312	0.679	20	30		CCEDRM
CN(C(=O)C1(C#N)CCOCC1)[C@@H]1CCN(C(=O)[O-])C1	ZINC000827731076	615781006	/nfs/dbraw/zinc/78/10/06/615781006.db2.gz	XLXIKFZINIFXNV-SNVBAGLBSA-N	-1	0	281.312	0.517	20	30		CCEDRM
CN(C(=O)COC(=O)c1cc(C(=O)[O-])no1)C(C)(C)C#N	ZINC000833685089	615817856	/nfs/dbraw/zinc/81/78/56/615817856.db2.gz	AGYUFRCHAXRPAM-UHFFFAOYSA-N	-1	0	295.251	0.290	20	30		CCEDRM
CC[C@H](NN=Cc1cnc(N(C)C)nc1)C(=O)[O-]	ZINC000814936587	615819961	/nfs/dbraw/zinc/81/99/61/615819961.db2.gz	AUIWGUVRCGKIJI-VIFPVBQESA-N	-1	0	251.290	0.329	20	30		CCEDRM
CCc1nnc2n1CCN(C(=O)[C@](C)(C#N)CC(=O)[O-])C2	ZINC000820504101	615820386	/nfs/dbraw/zinc/82/03/86/615820386.db2.gz	UIEXJICFXDDIDG-ZDUSSCGKSA-N	-1	0	291.311	0.187	20	30		CCEDRM
CN(C)C(=S)NN=CC1CCN(C(=O)[O-])CC1	ZINC000827988434	615838155	/nfs/dbraw/zinc/83/81/55/615838155.db2.gz	GNNQWJBWTVXCGA-UHFFFAOYSA-N	-1	0	258.347	0.798	20	30		CCEDRM
CCn1[n-]nnc1=NC(=O)N(C)Cc1cc(C#N)cs1	ZINC000931679536	615910017	/nfs/dbraw/zinc/91/00/17/615910017.db2.gz	SJCNCWHCCOZGIX-UHFFFAOYSA-N	-1	0	291.340	0.712	20	30		CCEDRM
CCn1cc(S(=O)(=O)[N-]c2ccncc2C#N)nc1C	ZINC000863947879	616010788	/nfs/dbraw/zinc/01/07/88/616010788.db2.gz	KZZXVMWLULWXRU-UHFFFAOYSA-N	-1	0	291.336	0.701	20	30		CCEDRM
CN(C)c1nc(CNC(=O)[C@](C)(C#N)CC(=O)[O-])cs1	ZINC000820554217	616033631	/nfs/dbraw/zinc/03/36/31/616033631.db2.gz	IQHAUIWNCFDBII-LBPRGKRZSA-N	-1	0	296.352	0.830	20	30		CCEDRM
CN(CCCNC(=O)[C@@H](O)c1ccc(C#N)cc1)C(=O)[O-]	ZINC000833873123	616075191	/nfs/dbraw/zinc/07/51/91/616075191.db2.gz	REHGTTAAJQPFFX-LBPRGKRZSA-N	-1	0	291.307	0.708	20	30		CCEDRM
CN([C@@H](C(=O)[O-])c1ccc(C#N)cc1)[C@H]1CCNC1=O	ZINC000833690688	616117269	/nfs/dbraw/zinc/11/72/69/616117269.db2.gz	AVBHJLYDGUTBIN-NWDGAFQWSA-N	-1	0	273.292	0.504	20	30		CCEDRM
CN(C[C@@H]1CCCOC1)C(=O)[C@@](C)(C#N)CC(=O)[O-]	ZINC000820574199	616138235	/nfs/dbraw/zinc/13/82/35/616138235.db2.gz	GVRSMZBGGLEEQQ-GXFFZTMASA-N	-1	0	268.313	0.876	20	30		CCEDRM
COC(=O)[C@@H](OC(=O)CNC(=O)[O-])c1cccc(C#N)c1	ZINC000828612379	616274976	/nfs/dbraw/zinc/27/49/76/616274976.db2.gz	JMWDHZYLLKAINN-NSHDSACASA-N	-1	0	292.247	0.583	20	30		CCEDRM
COC(=O)c1oc(CN(CC#N)CC(=O)[O-])cc1C	ZINC000831471512	616279912	/nfs/dbraw/zinc/27/99/12/616279912.db2.gz	UDYAOVDSHLOBDU-UHFFFAOYSA-N	-1	0	266.253	0.785	20	30		CCEDRM
COC(=O)[C@@H]1CCC[C@@H](C(=O)N(CC#N)CC(=O)[O-])C1	ZINC000831100934	616292906	/nfs/dbraw/zinc/29/29/06/616292906.db2.gz	SKJLVNOVSQWLPZ-NXEZZACHSA-N	-1	0	282.296	0.403	20	30		CCEDRM
COCCNC(=O)C(C#N)=C([O-])c1cc(F)ncc1C	ZINC000892490970	616491764	/nfs/dbraw/zinc/49/17/64/616491764.db2.gz	AJELTNMJPCOZIE-JTQLQIEISA-N	-1	0	279.271	0.614	20	30		CCEDRM
COCCNC(=O)C(C#N)=C([O-])c1ccn(CC(C)C)n1	ZINC000892492982	616491994	/nfs/dbraw/zinc/49/19/94/616491994.db2.gz	ZKTATMKFFCXVPP-NSHDSACASA-N	-1	0	292.339	0.624	20	30		CCEDRM
COCCNC(=O)C(C#N)=C([O-])c1cc(C)co1	ZINC000892491988	616496584	/nfs/dbraw/zinc/49/65/84/616496584.db2.gz	PXUJGNIBDFPPOJ-SECBINFHSA-N	-1	0	250.254	0.673	20	30		CCEDRM
COCCNC(=O)C(C#N)=C([O-])c1cnn(CC2CC2)c1	ZINC000870137447	616496634	/nfs/dbraw/zinc/49/66/34/616496634.db2.gz	ZPXYLKJDTCKWSY-GFCCVEGCSA-N	-1	0	290.323	0.378	20	30		CCEDRM
COCCOCC(=O)O[C@H](C(=O)[O-])c1cccc(C#N)c1	ZINC000831756822	616530613	/nfs/dbraw/zinc/53/06/13/616530613.db2.gz	CLXMEIBDHCGKCJ-ZDUSSCGKSA-N	-1	0	293.275	0.890	20	30		CCEDRM
COC(=O)CCN(CC#N)C(=O)Cc1ccc(O)c(F)c1	ZINC000871344445	616544983	/nfs/dbraw/zinc/54/49/83/616544983.db2.gz	BRQXQDRDBNLVQN-UHFFFAOYSA-N	-1	0	294.282	0.989	20	30		CCEDRM
COC(=O)[C@H](C)n1cccc1C=NNCC(=O)[O-]	ZINC000814959815	616588439	/nfs/dbraw/zinc/58/84/39/616588439.db2.gz	DQENQHJTBZHMHP-QMMMGPOBSA-N	-1	0	253.258	0.230	20	30		CCEDRM
COC(=O)CN(CC(=O)[O-])C(=O)Cc1cccc(C#N)c1	ZINC000831170417	616588518	/nfs/dbraw/zinc/58/85/18/616588518.db2.gz	NBFNATOQBXLJJD-UHFFFAOYSA-N	-1	0	290.275	0.187	20	30		CCEDRM
COCCOc1ccccc1C=NNCC(=O)[O-]	ZINC000814958694	616596861	/nfs/dbraw/zinc/59/68/61/616596861.db2.gz	LEVLOXCKVQKSLM-UHFFFAOYSA-N	-1	0	252.270	0.720	20	30		CCEDRM
COC(=O)C[C@@H](NC(=O)c1cc(C#N)cs1)C(=O)[O-]	ZINC000831133188	616647075	/nfs/dbraw/zinc/64/70/75/616647075.db2.gz	COPFQYMKCRGFRW-SSDOTTSWSA-N	-1	0	282.277	0.366	20	30		CCEDRM
COC[C@H](NC(=O)[C@@]1(C#N)CC2CCC1CC2)C(=O)[O-]	ZINC000923076721	616710382	/nfs/dbraw/zinc/71/03/82/616710382.db2.gz	GDGJQRAGNSJJGE-YXLKDIQASA-N	-1	0	280.324	0.922	20	30		CCEDRM
COCC(COC)NN=Cc1ccc(C(=O)[O-])cc1	ZINC000863198909	616736823	/nfs/dbraw/zinc/73/68/23/616736823.db2.gz	WDLZUIBPTQXIIY-UHFFFAOYSA-N	-1	0	266.297	0.970	20	30		CCEDRM
COC[C@@H](C#N)OC(=O)c1ccc(-c2nn[nH]n2)cc1	ZINC000826147875	616775024	/nfs/dbraw/zinc/77/50/24/616775024.db2.gz	OQODXUHOMVLWBY-SNVBAGLBSA-N	-1	0	273.252	0.562	20	30		CCEDRM
COC[C@@H](C)CN=Nc1nc2[nH][nH]cc-2c(=O)n1	ZINC000755893607	616782842	/nfs/dbraw/zinc/78/28/42/616782842.db2.gz	PIJLFYKCODJQCF-LURJTMIESA-N	-1	0	250.262	0.112	20	30		CCEDRM
COC[C@](C)(C#N)NC(=O)CC[C@@H]1CCN(C(=O)[O-])C1	ZINC000833882550	616816525	/nfs/dbraw/zinc/81/65/25/616816525.db2.gz	OFIWJDNYWSBUEM-MFKMUULPSA-N	-1	0	283.328	0.811	20	30		CCEDRM
CNC(=O)C(C#N)=C([O-])c1c2c(nn1C)CCCC2	ZINC000892518331	616838635	/nfs/dbraw/zinc/83/86/35/616838635.db2.gz	PVTOIZDEBABWGD-SECBINFHSA-N	-1	0	260.297	0.367	20	30		CCEDRM
CNC(=O)C(C#N)=C([O-])c1ccc(Cn2cncn2)cc1	ZINC000917002385	616839257	/nfs/dbraw/zinc/83/92/57/616839257.db2.gz	JBCXEBMFCNTLRB-GFCCVEGCSA-N	-1	0	283.291	0.395	20	30		CCEDRM
COC(=O)NCC(=O)O[C@H](C(=O)[O-])c1cccc(C#N)c1	ZINC000831204174	616872135	/nfs/dbraw/zinc/87/21/35/616872135.db2.gz	PDMTVYIIPBLUNR-NSHDSACASA-N	-1	0	292.247	0.583	20	30		CCEDRM
COCCCNC(=O)C(C#N)=C([O-])c1cnn(C2CC2)c1	ZINC000860460949	616902173	/nfs/dbraw/zinc/90/21/73/616902173.db2.gz	CBTXSPPSWXYMKD-GFCCVEGCSA-N	-1	0	290.323	0.693	20	30		CCEDRM
COCCN(CCC(=O)[O-])C(=O)C#Cc1ccccc1	ZINC000831725048	616994006	/nfs/dbraw/zinc/99/40/06/616994006.db2.gz	LKWSHZCUPYQZHH-UHFFFAOYSA-N	-1	0	275.304	0.988	20	30		CCEDRM
COC[C@@](C)(O)C(=O)[N-]Oc1cccc(C#N)c1	ZINC000870691127	617027241	/nfs/dbraw/zinc/02/72/41/617027241.db2.gz	DIFBGVBGCVTFOV-GFCCVEGCSA-N	-1	0	250.254	0.366	20	30		CCEDRM
CON=Cc1ccc(C(=O)N[C@]2(C(=O)[O-])CCOC2)cc1	ZINC000831836469	617107027	/nfs/dbraw/zinc/10/70/27/617107027.db2.gz	HLAWPIITHHYVOE-CQSZACIVSA-N	-1	0	292.291	0.640	20	30		CCEDRM
CO[C@@H](C(=O)[N-]S(=O)(=O)CCCC#N)C1CCC1	ZINC000850926514	617126698	/nfs/dbraw/zinc/12/66/98/617126698.db2.gz	NIOWYSCLJOVDFT-SNVBAGLBSA-N	-1	0	274.342	0.551	20	30		CCEDRM
CO[C@]1(C(=O)[O-])CCN(C(=O)C2(C#N)CC(C)C2)C1	ZINC000923099311	617130699	/nfs/dbraw/zinc/13/06/99/617130699.db2.gz	XKDHHSONYSRAEW-UTVJUBTNSA-N	-1	0	266.297	0.628	20	30		CCEDRM
Cc1ccc(C(=O)[N-]S(=O)(=O)CCCC#N)o1	ZINC000181260529	625369657	/nfs/dbraw/zinc/36/96/57/625369657.db2.gz	COQRAOAWKFBSGH-UHFFFAOYSA-N	-1	0	256.283	0.951	20	30		CCEDRM
O=C(Nc1cnc(F)c(F)c1)N[C@@H]1CCCN(O)C1=O	ZINC000934391736	622697873	/nfs/dbraw/zinc/69/78/73/622697873.db2.gz	QYYIQFPSLPQWIX-MRVPVSSYSA-N	-1	0	286.238	0.862	20	30		CCEDRM
C#C[C@@H](C)NS(=O)(=O)c1ccc(C(=O)[O-])cc1OC	ZINC000223833298	622728315	/nfs/dbraw/zinc/72/83/15/622728315.db2.gz	BYIXESGPTVEJNY-MRVPVSSYSA-N	-1	0	283.305	0.693	20	30		CCEDRM
Cc1nn(C)c(C)c1C(=O)[N-]S(=O)(=O)N1CCCC1	ZINC000052792811	623059490	/nfs/dbraw/zinc/05/94/90/623059490.db2.gz	PAHZIBOXJOWMKQ-UHFFFAOYSA-N	-1	0	286.357	0.682	20	30		CCEDRM
C[C@@H](OC[C@H]1CCCCO1)C(=O)[N-]S(C)(=O)=O	ZINC000049501124	624462992	/nfs/dbraw/zinc/46/29/92/624462992.db2.gz	LGRZYLZYCVVBOS-RKDXNWHRSA-N	-1	0	265.331	0.877	20	30		CCEDRM
CCOc1ccc(S(=O)(=O)NCCC#N)cc1C(=O)[O-]	ZINC000054156448	631629806	/nfs/dbraw/zinc/62/98/06/631629806.db2.gz	DSPIXGGWKMNPPJ-UHFFFAOYSA-N	-1	0	298.320	0.975	20	30		CCEDRM
O=C1[C@@H](NCc2cnc3ccccn23)CCCN1O	ZINC000895164277	632000471	/nfs/dbraw/zinc/00/04/71/632000471.db2.gz	BKZMMUSUOFQKGD-NSHDSACASA-N	-1	0	260.297	0.804	20	30		CCEDRM
Cc1[nH]nc(C(=O)N2C[C@@H](NCC#N)C[C@@H]2C)c1[O-]	ZINC000988659792	633072662	/nfs/dbraw/zinc/07/26/62/633072662.db2.gz	CTNQABJCYLZOEY-CBAPKCEASA-N	-1	0	263.301	0.140	20	30		CCEDRM
C=C(Br)CNC(=O)N(C)CC(=O)[O-]	ZINC000163554987	633597680	/nfs/dbraw/zinc/59/76/80/633597680.db2.gz	FDZFPIGSEGXLAU-UHFFFAOYSA-N	-1	0	251.080	0.621	20	30		CCEDRM
C[C@@H]1C(=O)N([N-]C(=O)c2cc(C#N)cs2)C(=O)N1C	ZINC000899034269	633718533	/nfs/dbraw/zinc/71/85/33/633718533.db2.gz	TXPMTZJWBVRXBC-ZCFIWIBFSA-N	-1	0	278.293	0.547	20	30		CCEDRM
Cc1ncc(CO)c(C=NNc2ccnn2C)c1O	ZINC000901224668	634216209	/nfs/dbraw/zinc/21/62/09/634216209.db2.gz	WBHGDYYTZJSMSK-UHFFFAOYSA-N	-1	0	261.285	0.767	20	30		CCEDRM
C[S@](=O)(=NS(=O)(=O)[N-]CC#N)C1CCCCC1	ZINC000906060747	634955379	/nfs/dbraw/zinc/95/53/79/634955379.db2.gz	LWLMQKAQBDJKFZ-MRXNPFEDSA-N	-1	0	279.387	0.775	20	30		CCEDRM
CC(C)(C#N)CC(=O)N1CCSC[C@@H]1c1nnn[n-]1	ZINC000907476242	635130534	/nfs/dbraw/zinc/13/05/34/635130534.db2.gz	CGALRJXHECDKPG-MRVPVSSYSA-N	-1	0	280.357	0.756	20	30		CCEDRM
N#C[C@@]1(C(=O)N[C@H]2C[C@H]3C[C@@H](C(=O)[O-])C[C@H]32)CCCOC1	ZINC000907968631	635252992	/nfs/dbraw/zinc/25/29/92/635252992.db2.gz	JJLXIWJFYXXLEQ-CYRTVHNOSA-N	-1	0	292.335	0.922	20	30		CCEDRM
C#Cc1cncc(C(=O)N2CC[C@H](OC)C[C@@H]2C(=O)[O-])c1	ZINC000909982949	635657575	/nfs/dbraw/zinc/65/75/75/635657575.db2.gz	OFLTYQANMOUGBC-QWHCGFSZSA-N	-1	0	288.303	0.767	20	30		CCEDRM
N#Cc1ccccc1CS(=O)(=O)NCC1(C(=O)[O-])CC1	ZINC000166994197	636948715	/nfs/dbraw/zinc/94/87/15/636948715.db2.gz	DVSMMDOITFVTAQ-UHFFFAOYSA-N	-1	0	294.332	0.842	20	30		CCEDRM
C=CCCOCCNC(=O)N1CCC[C@H]1C(=O)[O-]	ZINC000227476173	637026648	/nfs/dbraw/zinc/02/66/48/637026648.db2.gz	MBWZHJLYMIRQGO-JTQLQIEISA-N	-1	0	256.302	0.838	20	30		CCEDRM
C=CCCOCCNC(=O)N[C@H](C(=O)[O-])C1CC1	ZINC000231837567	637231039	/nfs/dbraw/zinc/23/10/39/637231039.db2.gz	WVDXNQUMMSXKLN-JTQLQIEISA-N	-1	0	256.302	0.742	20	30		CCEDRM
Cc1n[nH]c(C(=O)N[C@H]2CCCN(CC#N)C2)c1[O-]	ZINC001007123471	637539284	/nfs/dbraw/zinc/53/92/84/637539284.db2.gz	WKIAXLOVKOZQLA-VIFPVBQESA-N	-1	0	263.301	0.142	20	30		CCEDRM
COCCNC(=O)C(C#N)=C([O-])c1ccc(C#N)cc1	ZINC000193411636	637736419	/nfs/dbraw/zinc/73/64/19/637736419.db2.gz	KBAMFYNVFQDNNF-GFCCVEGCSA-N	-1	0	271.276	0.643	20	30		CCEDRM
Cc1n[nH]c(C(=O)N[C@@H]2CCN(CC#N)C[C@H]2C)c1[O-]	ZINC000941960310	638589005	/nfs/dbraw/zinc/58/90/05/638589005.db2.gz	VIIUPOXJJWLSGF-PSASIEDQSA-N	-1	0	277.328	0.388	20	30		CCEDRM
COC[C@@H](C)S(=O)(=O)[N-]C(=O)c1c(C)noc1C	ZINC000073839081	639836618	/nfs/dbraw/zinc/83/66/18/639836618.db2.gz	RJLQFLSXSASAQF-ZCFIWIBFSA-N	-1	0	276.314	0.961	20	30		CCEDRM
N#CCCS(=O)(=O)[N-]C(=O)C1CC2(CCC2)C1	ZINC000842794710	640228177	/nfs/dbraw/zinc/22/81/77/640228177.db2.gz	ZTLIVVHPOLKLAV-UHFFFAOYSA-N	-1	0	256.327	0.926	20	30		CCEDRM
N#Cc1nc(NC(=O)Cc2[nH]nc3c2CCCC3)[n-]c1C#N	ZINC000806433788	640783538	/nfs/dbraw/zinc/78/35/38/640783538.db2.gz	RKUQJXLIQACSIS-UHFFFAOYSA-N	-1	0	295.306	0.936	20	30		CCEDRM
N#CCCCS(=O)(=O)N[C@H](CC1CC1)C(=O)[O-]	ZINC000806640845	640794947	/nfs/dbraw/zinc/79/49/47/640794947.db2.gz	ZLYOZQXFVSGYIH-SECBINFHSA-N	-1	0	260.315	0.463	20	30		CCEDRM
Cn1cc(C([O-])=C(C#N)C(=O)NC2CCCCC2)nn1	ZINC000808980043	640882450	/nfs/dbraw/zinc/88/24/50/640882450.db2.gz	RTSLAVNDSGIXMX-SNVBAGLBSA-N	-1	0	275.312	0.586	20	30		CCEDRM
N#Cc1cccc(C(=O)[N-]S(=O)(=O)Cc2ccon2)n1	ZINC000810605836	640941171	/nfs/dbraw/zinc/94/11/71/640941171.db2.gz	QHIDEGZMNIBWDU-UHFFFAOYSA-N	-1	0	292.276	0.201	20	30		CCEDRM
N#CC1(CS(=O)(=O)[N-]C(=O)[C@@H]2CCCSC2)CC1	ZINC000810668935	640944101	/nfs/dbraw/zinc/94/41/01/640944101.db2.gz	GLGLTJLGENBVHZ-SECBINFHSA-N	-1	0	288.394	0.879	20	30		CCEDRM
CC#CCS(=O)(=O)[N-]C(=O)C(C)(C)CCC(C)=O	ZINC000810774249	640949443	/nfs/dbraw/zinc/94/94/43/640949443.db2.gz	VUMTZZSKQRREOK-UHFFFAOYSA-N	-1	0	273.354	0.851	20	30		CCEDRM
CC#CCS(=O)(=O)[N-]C(=O)C1CC(F)(F)C1	ZINC000810777033	640949556	/nfs/dbraw/zinc/94/95/56/640949556.db2.gz	SEFGZISLAQXCMU-UHFFFAOYSA-N	-1	0	251.254	0.501	20	30		CCEDRM
N#Cc1cc(O)cc(C(=O)OCc2n[nH]c(=O)[n-]2)c1	ZINC000811184012	640964999	/nfs/dbraw/zinc/96/49/99/640964999.db2.gz	FLNJNYFBFINPOR-UHFFFAOYSA-N	-1	0	260.209	0.445	20	30		CCEDRM
Cc1nn(C)c(C)c1S(=O)(=O)[N-]C(=O)CCCC#N	ZINC000813056618	641020838	/nfs/dbraw/zinc/02/08/38/641020838.db2.gz	GMWIMZROOJPTMR-UHFFFAOYSA-N	-1	0	284.341	0.536	20	30		CCEDRM
C[C@H](C(=O)[N-]S(=O)(=O)c1cncc(C#N)c1)C1CC1	ZINC000813981641	641051171	/nfs/dbraw/zinc/05/11/71/641051171.db2.gz	STWINONSFUKFEK-QMMMGPOBSA-N	-1	0	279.321	0.804	20	30		CCEDRM
N#Cc1cncc(S(=O)(=O)[N-]C(=O)C2=COCC2)c1	ZINC000813982307	641052219	/nfs/dbraw/zinc/05/22/19/641052219.db2.gz	IASRODKUDGVOEX-UHFFFAOYSA-N	-1	0	279.277	0.062	20	30		CCEDRM
O=c1[n-][nH]c(=O)n1N=Cc1cccc2c1OCCCO2	ZINC000814232709	641062449	/nfs/dbraw/zinc/06/24/49/641062449.db2.gz	JBFSHNNOBYLKPA-UHFFFAOYSA-N	-1	0	276.252	0.733	20	30		CCEDRM
Cc1nn(-c2ccccn2)c(C)c1C=NNCC(=O)[O-]	ZINC000814958263	641084331	/nfs/dbraw/zinc/08/43/31/641084331.db2.gz	IBAGNYUXBPFRCX-UHFFFAOYSA-N	-1	0	273.296	0.892	20	30		CCEDRM
O=C([O-])CNN=Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-]	ZINC000814959273	641084502	/nfs/dbraw/zinc/08/45/02/641084502.db2.gz	XXLIGOYCOXVUBK-UHFFFAOYSA-N	-1	0	268.185	0.511	20	30		CCEDRM
C[C@H](O)CNN=Cc1ccc(O[C@@H](C)C(=O)[O-])cc1	ZINC000814962623	641086184	/nfs/dbraw/zinc/08/61/84/641086184.db2.gz	PBVQCPLOJRRPHL-UWVGGRQHSA-N	-1	0	266.297	0.843	20	30		CCEDRM
Cn1nncc1NN=Cc1cc([O-])ccc1[N+](=O)[O-]	ZINC000814982797	641087393	/nfs/dbraw/zinc/08/73/93/641087393.db2.gz	OYSRRLRAYKDDNY-UHFFFAOYSA-N	-1	0	262.229	0.875	20	30		CCEDRM
N#CCCCS(=O)(=O)[N-]C(=O)/C=C\[C@H]1CCCO1	ZINC000820510404	641512407	/nfs/dbraw/zinc/51/24/07/641512407.db2.gz	UGWLPPXHUAFNGD-WWQCOOJYSA-N	-1	0	272.326	0.471	20	30		CCEDRM
Cn1c([O-])c(C(=O)/C=C/c2cccnc2)c(=O)n(C)c1=O	ZINC000821012223	641555328	/nfs/dbraw/zinc/55/53/28/641555328.db2.gz	FXWQMGWHLOCUIF-AATRIKPKSA-N	-1	0	287.275	0.081	20	30		CCEDRM
N#CCCS(=O)(=O)[N-]C(=O)Cc1ccc2c(c1)OCO2	ZINC000821582473	641610664	/nfs/dbraw/zinc/61/06/64/641610664.db2.gz	OIDBWNRHODZEKE-UHFFFAOYSA-N	-1	0	296.304	0.317	20	30		CCEDRM
C[C@@H](CC(=O)N[C@@]1(C#N)CCSC1)NC(=O)[O-]	ZINC000824615198	641834574	/nfs/dbraw/zinc/83/45/74/641834574.db2.gz	RRXZHMXBTQRHNH-OIBJUYFYSA-N	-1	0	257.315	0.548	20	30		CCEDRM
N#CC(C(=O)N1CCCC1)=C([O-])c1c[nH]c(-c2nn[nH]n2)c1	ZINC000826379196	641930918	/nfs/dbraw/zinc/93/09/18/641930918.db2.gz	LORGYFRXPWKIOA-SECBINFHSA-N	-1	0	299.294	0.140	20	30		CCEDRM
C[C@@H]1OCCO[C@@H]1C(=O)[N-]Oc1cccc(C#N)c1	ZINC000828147915	642067813	/nfs/dbraw/zinc/06/78/13/642067813.db2.gz	GWGFQLISIXOCJP-CABZTGNLSA-N	-1	0	262.265	0.772	20	30		CCEDRM
N#CCCS(=O)(=O)[N-]C(=O)[C@H]1OCCc2ccccc21	ZINC000835409917	642660483	/nfs/dbraw/zinc/66/04/83/642660483.db2.gz	BQIKHKQIRJAKJQ-LBPRGKRZSA-N	-1	0	294.332	0.660	20	30		CCEDRM
N#CCCS(=O)(=O)[N-]C(=O)COCc1ccccc1	ZINC000835410975	642660562	/nfs/dbraw/zinc/66/05/62/642660562.db2.gz	BPLHLDMSHMATAH-UHFFFAOYSA-N	-1	0	282.321	0.563	20	30		CCEDRM
C[C@H](OCc1ccccc1)C(=O)[N-]S(=O)(=O)CCC#N	ZINC000835409072	642661123	/nfs/dbraw/zinc/66/11/23/642661123.db2.gz	QGTVPPWOZCKCNJ-NSHDSACASA-N	-1	0	296.348	0.951	20	30		CCEDRM
N#Cc1c(NCCCC(=O)[O-])cccc1S(N)(=O)=O	ZINC000843037036	642979777	/nfs/dbraw/zinc/97/97/77/642979777.db2.gz	UKCYDCWLTYCFOR-UHFFFAOYSA-N	-1	0	283.309	0.482	20	30		CCEDRM
C[C@H](CCNS(=O)(=O)N(C)[C@@H](C)CC#N)C(=O)[O-]	ZINC000844785784	643248148	/nfs/dbraw/zinc/24/81/48/643248148.db2.gz	NDWXUKGAMBNMML-BDAKNGLRSA-N	-1	0	277.346	0.166	20	30		CCEDRM
CC#CCS(=O)(=O)[N-]C(=O)c1ccn(C(C)(C)C)n1	ZINC000847699014	643548512	/nfs/dbraw/zinc/54/85/12/643548512.db2.gz	KWNYZSSAEUUYAC-UHFFFAOYSA-N	-1	0	283.353	0.721	20	30		CCEDRM
O=C([N-][C@@H]1CCCN(O)C1=O)C(F)(F)C(F)F	ZINC000848137065	643608125	/nfs/dbraw/zinc/60/81/25/643608125.db2.gz	XVHRVFKGEOOLPE-SCSAIBSYSA-N	-1	0	258.171	0.383	20	30		CCEDRM
O=C([O-])Cn1cc(C(=O)/C=C\c2cc3n(n2)CCC3)nn1	ZINC000849250828	643722619	/nfs/dbraw/zinc/72/26/19/643722619.db2.gz	WLBODYHVKIYILU-ARJAWSKDSA-N	-1	0	287.279	0.402	20	30		CCEDRM
Cc1ccnc(S(=O)(=O)[N-]C(=O)[C@@H](C)CC#N)c1	ZINC000850842308	643816969	/nfs/dbraw/zinc/81/69/69/643816969.db2.gz	UDOUKZRVLYQXED-VIFPVBQESA-N	-1	0	267.310	0.745	20	30		CCEDRM
N#CCCCS(=O)(=O)[N-]C(=O)Cn1cc(C2CC2)cn1	ZINC000850925721	643822857	/nfs/dbraw/zinc/82/28/57/643822857.db2.gz	CAHJLNNEDRQWIZ-UHFFFAOYSA-N	-1	0	296.352	0.510	20	30		CCEDRM
N#Cc1ccc(CNC(=O)N2CC(C(=O)[O-])C2)nc1	ZINC000857100964	644465065	/nfs/dbraw/zinc/46/50/65/644465065.db2.gz	NZZOBOGWKUMSPH-UHFFFAOYSA-N	-1	0	260.253	0.179	20	30		CCEDRM
N#C[C@@]1(C(=O)[N-]OCC(F)(F)F)CCCOC1	ZINC000866733488	645585272	/nfs/dbraw/zinc/58/52/72/645585272.db2.gz	RWVYFUBWXBIERA-QMMMGPOBSA-N	-1	0	252.192	0.917	20	30		CCEDRM
C[C@@H]1C[C@H](C(=O)[N-]S(=O)(=O)CCCC#N)[C@@H](C)O1	ZINC000870270304	645976997	/nfs/dbraw/zinc/97/69/97/645976997.db2.gz	UTSGITWTWQLULF-BBBLOLIVSA-N	-1	0	274.342	0.550	20	30		CCEDRM
C[C@@H]1C[C@H](C(=O)[N-]S(=O)(=O)CC2(C#N)CC2)[C@H](C)O1	ZINC000870281182	645978081	/nfs/dbraw/zinc/97/80/81/645978081.db2.gz	FHGQYYZWJPUTKM-UTLUCORTSA-N	-1	0	286.353	0.550	20	30		CCEDRM
N#Cc1cccc(O[N-]C(=O)[C@H]2CCS(=O)(=O)C2)c1	ZINC000870693445	646018187	/nfs/dbraw/zinc/01/81/87/646018187.db2.gz	HVHWGSQCBKSRGQ-JTQLQIEISA-N	-1	0	280.305	0.403	20	30		CCEDRM
C[C@@H](C#N)OCCn1cc(C[N-]C(=O)C(F)(F)F)nn1	ZINC000881323093	647302937	/nfs/dbraw/zinc/30/29/37/647302937.db2.gz	AHJIZKUHKRKTOY-ZETCQYMHSA-N	-1	0	291.233	0.385	20	30		CCEDRM
N#Cc1c[n-]c(=O)n(C[C@@H]2CCC3(CCC3)O2)c1=O	ZINC000882179343	647379988	/nfs/dbraw/zinc/37/99/88/647379988.db2.gz	QCZPNKXGXBTLMH-JTQLQIEISA-N	-1	0	261.281	0.510	20	30		CCEDRM
C[C@H](CN(C)C(=O)C1(C#N)CCSCC1)c1nnn[n-]1	ZINC000935366723	649229011	/nfs/dbraw/zinc/22/90/11/649229011.db2.gz	HGRNUTVDFATGLM-SECBINFHSA-N	-1	0	294.384	0.799	20	30		CCEDRM
C[C@@H](NC(=O)OC(C)(C)C)C(=O)[N-]S(C)(=O)=O	ZINC000048480791	649322173	/nfs/dbraw/zinc/32/21/73/649322173.db2.gz	IJPMYNOSBXOLST-ZCFIWIBFSA-N	-1	0	266.319	0.816	20	30		CCEDRM
Cn1cc(/C=C/C(=O)c2sccc2[O-])c(=O)n(C)c1=O	ZINC000189431860	649376462	/nfs/dbraw/zinc/37/64/62/649376462.db2.gz	REUYEYVJWADHSP-ONEGZZNKSA-N	-1	0	292.316	0.747	20	30		CCEDRM
C=CCN(CC(=O)[O-])C(=O)NC[C@@H]1CCCCO1	ZINC000092467853	649724068	/nfs/dbraw/zinc/72/40/68/649724068.db2.gz	ULTNWLKLUNBPKF-JTQLQIEISA-N	-1	0	256.302	0.838	20	30		CCEDRM
COC(=O)c1cnc(O[C@H]2CCN(CC#N)C2)[n-]1	ZINC001230281766	805592248	/nfs/dbraw/zinc/59/22/48/805592248.db2.gz	GVIFILXSWKRJQS-QMMMGPOBSA-N	-1	0	250.258	0.173	20	30		CCEDRM
C=CCCOCCNC(=O)N[C@H]1C[C@@H](C(=O)[O-])C1	ZINC000693346325	791139794	/nfs/dbraw/zinc/13/97/94/791139794.db2.gz	CHCVXKUHOXRPIP-AOOOYVTPSA-N	-1	0	256.302	0.742	20	30		CCEDRM
N#Cc1ccc(N2CCCN(C(=O)C(=O)[O-])CC2)nc1	ZINC001143413498	791377666	/nfs/dbraw/zinc/37/76/66/791377666.db2.gz	SVFKGLUJRPMQFB-UHFFFAOYSA-N	-1	0	274.280	0.077	20	30		CCEDRM
COc1nc(N[C@@H]2CO[N-]C2=O)c(C#N)c(C)c1Cl	ZINC001167510838	791496108	/nfs/dbraw/zinc/49/61/08/791496108.db2.gz	BRLMMPSOPSLJLF-SSDOTTSWSA-N	-1	0	282.687	0.766	20	30		CCEDRM
N#Cc1cccc(Cl)c1OC(=O)[C@H](O)CC(=O)[O-]	ZINC001233547769	806076946	/nfs/dbraw/zinc/07/69/46/806076946.db2.gz	OJNWHPCFNXXCHJ-MRVPVSSYSA-N	-1	0	269.640	0.953	20	30		CCEDRM
COC(=O)c1ccc(OC(=O)[C@H](O)CC(=O)[O-])c(C#N)c1	ZINC001233628169	806097836	/nfs/dbraw/zinc/09/78/36/806097836.db2.gz	LGQZFVSSSJLFOO-SECBINFHSA-N	-1	0	293.231	0.086	20	30		CCEDRM
COc1cc(/C=N/O)ccc1OC(=O)[C@@H](O)CC(=O)[O-]	ZINC001233800419	806123069	/nfs/dbraw/zinc/12/30/69/806123069.db2.gz	QCBLKZCUPZDWRS-UVDXRHSJSA-N	-1	0	283.236	0.244	20	30		CCEDRM
C#C[C@H](Oc1[nH]c(=O)nc2cn[n-]c21)c1ccncc1	ZINC001233939080	806152143	/nfs/dbraw/zinc/15/21/43/806152143.db2.gz	HHGVKQAMDMGNOZ-JTQLQIEISA-N	-1	0	267.248	0.795	20	30		CCEDRM
C=C(C)C(=O)OC[C@H](C)Oc1[nH]c(=O)nc2cn[n-]c21	ZINC001233940207	806152590	/nfs/dbraw/zinc/15/25/90/806152590.db2.gz	SYPPIFNSZOEZLC-ZETCQYMHSA-N	-1	0	278.268	0.533	20	30		CCEDRM
COc1cc(C#N)cc(C)c1OC(=O)[C@H](O)CC(=O)[O-]	ZINC001234865566	806308903	/nfs/dbraw/zinc/30/89/03/806308903.db2.gz	SUXKODUQIGJTKL-SECBINFHSA-N	-1	0	279.248	0.616	20	30		CCEDRM
CC(C)CCCNc1[n-]c(=O)n(C)c(=O)c1C#N	ZINC001120797496	798938881	/nfs/dbraw/zinc/93/88/81/798938881.db2.gz	DDMYUPMNZYAZPH-UHFFFAOYSA-N	-1	0	250.302	0.793	20	30		CCEDRM
CC/C(C)=C\C(=O)N1CC(n2cc(C#N)c(=O)[n-]c2=O)C1	ZINC001120832524	798946003	/nfs/dbraw/zinc/94/60/03/798946003.db2.gz	KTMPVBKWZPLCBS-WTKPLQERSA-N	-1	0	288.307	0.560	20	30		CCEDRM
CN(CCC(C)(C)C)c1[n-]c(=O)n(C)c(=O)c1C#N	ZINC001120943485	798966455	/nfs/dbraw/zinc/96/64/55/798966455.db2.gz	FJHUKZYSDYGTHB-UHFFFAOYSA-N	-1	0	264.329	0.818	20	30		CCEDRM
C#CCOCCNC(=O)N1C[C@H](C(=O)[O-])CC[C@@H]1C	ZINC001121816434	799072775	/nfs/dbraw/zinc/07/27/75/799072775.db2.gz	BYBIPPJWRZDZLZ-WDEREUQCSA-N	-1	0	268.313	0.531	20	30		CCEDRM
CNC(=O)C(C#N)=C([O-])c1ccn(CCC(F)(F)F)n1	ZINC001122463357	799240266	/nfs/dbraw/zinc/24/02/66/799240266.db2.gz	AJXHTVYODSVZCB-ZETCQYMHSA-N	-1	0	288.229	0.904	20	30		CCEDRM
C=C(C)Cn1c(-c2c[nH][nH]c2=O)nnc1N(C)OC	ZINC001122491580	799247957	/nfs/dbraw/zinc/24/79/57/799247957.db2.gz	SKZZPDIIFBBDJZ-UHFFFAOYSA-N	-1	0	264.289	0.948	20	30		CCEDRM
Cn1ccc(C(=O)C(C#N)=C([O-])c2nccn2C)n1	ZINC001122729007	799290896	/nfs/dbraw/zinc/29/08/96/799290896.db2.gz	XBLYLUPZWRIGTC-MRVPVSSYSA-N	-1	0	257.253	0.359	20	30		CCEDRM
Cc1cc(C#N)c(=O)[n-]c1C(=O)N1CCn2nccc21	ZINC001140257194	799894001	/nfs/dbraw/zinc/89/40/01/799894001.db2.gz	GNTGQHDRICFXTG-UHFFFAOYSA-N	-1	0	269.264	0.824	20	30		CCEDRM
N#Cc1cc2c(nc1N[C@H]1SC(=O)[N-]C1=O)CCOC2	ZINC001155844521	801065210	/nfs/dbraw/zinc/06/52/10/801065210.db2.gz	NYKJGDGALBETAS-NSHDSACASA-N	-1	0	290.304	0.747	20	30		CCEDRM
N#C[C@H]1CNCCN1c1nc[n-]c2nc(=S)sc1-2	ZINC001156327882	801152139	/nfs/dbraw/zinc/15/21/39/801152139.db2.gz	QLJZLFLEDZJZPT-LURJTMIESA-N	-1	0	278.366	0.677	20	30		CCEDRM
N#Cc1ccc2[nH]c(C(=O)NCS(=O)(=O)[O-])cc2c1	ZINC001156461635	801169974	/nfs/dbraw/zinc/16/99/74/801169974.db2.gz	SZYAQUAQJGVMGR-UHFFFAOYSA-N	-1	0	279.277	0.615	20	30		CCEDRM
N#Cc1cnc(Cl)nc1NCc1cc(=O)[n-]o1	ZINC001158563544	801665920	/nfs/dbraw/zinc/66/59/20/801665920.db2.gz	JOIJMLFBFPQZFH-UHFFFAOYSA-N	-1	0	251.633	0.729	20	30		CCEDRM
COCOCCCNC(=O)c1[n-]c(=O)c(C#N)cc1C	ZINC001159754113	801863451	/nfs/dbraw/zinc/86/34/51/801863451.db2.gz	XRJYPQDHDHXWGM-UHFFFAOYSA-N	-1	0	279.296	0.708	20	30		CCEDRM
N#Cc1ncc(Cl)nc1NCC(=O)CCC(=O)[O-]	ZINC001160873801	802038014	/nfs/dbraw/zinc/03/80/14/802038014.db2.gz	IVXSDPUXHXCROX-UHFFFAOYSA-N	-1	0	268.660	0.847	20	30		CCEDRM
C=CCS(=O)(=O)NC1=C(C(=O)OCC)CO[C@@H]1C	ZINC001259933485	808809271	/nfs/dbraw/zinc/80/92/71/808809271.db2.gz	GNPPTAFMIJNQCA-MRVPVSSYSA-N	-1	0	275.326	0.328	20	30		CCEDRM
N#CNC(=Nc1cncc(C(=O)[O-])n1)c1ccncc1	ZINC001164502983	802751441	/nfs/dbraw/zinc/75/14/41/802751441.db2.gz	UTWKBAAFGQQMQR-UHFFFAOYSA-N	-1	0	268.236	0.719	20	30		CCEDRM
N#CCCN1CCN(c2nccnc2CC(=O)[O-])CC1	ZINC001165056959	802779251	/nfs/dbraw/zinc/77/92/51/802779251.db2.gz	RIQZHYNWGIHIMZ-UHFFFAOYSA-N	-1	0	275.312	0.139	20	30		CCEDRM
C#C[C@H](Oc1nc(C)[n-]c(=O)c1[N+](=O)[O-])C(=O)OCC	ZINC001229377487	814951163	/nfs/dbraw/zinc/95/11/63/814951163.db2.gz	BPQGFBXMILZGFZ-ZETCQYMHSA-N	-1	0	281.224	0.343	20	30		CCEDRM
Cc1nn(CCC#N)c(C)c1OS(=O)(=O)c1ncc[n-]1	ZINC001213982180	803708477	/nfs/dbraw/zinc/70/84/77/803708477.db2.gz	XYXNNLVVCHUEDK-UHFFFAOYSA-N	-1	0	295.324	0.904	20	30		CCEDRM
CCn1[n-]nnc1=NC(=O)NCC1(C#N)CCCC1	ZINC001217920293	803925462	/nfs/dbraw/zinc/92/54/62/803925462.db2.gz	UGHDFMZWASQSRI-UHFFFAOYSA-N	-1	0	263.305	0.320	20	30		CCEDRM
N#CCCN(Cc1cccnc1)S(=O)(=O)c1ncc[n-]1	ZINC000313191055	804382502	/nfs/dbraw/zinc/38/25/02/804382502.db2.gz	XAYGJFSDGSRZJV-UHFFFAOYSA-N	-1	0	291.336	0.909	20	30		CCEDRM
C=CCC[C@H](NC(=O)CCn1ccnc1)C(=O)[O-]	ZINC000316257642	804683083	/nfs/dbraw/zinc/68/30/83/804683083.db2.gz	FUWFTVPDCHCIKI-JTQLQIEISA-N	-1	0	251.286	0.809	20	30		CCEDRM
N#Cc1ccccc1OCCOC(=O)[C@H](O)CCC(=O)[O-]	ZINC001222418358	804900195	/nfs/dbraw/zinc/90/01/95/804900195.db2.gz	LVJHALRSZJGOFK-LLVKDONJSA-N	-1	0	293.275	0.706	20	30		CCEDRM
C=CCOC[C@@H](CS(=O)(=O)[O-])OCc1cncn1C	ZINC001222594307	804920660	/nfs/dbraw/zinc/92/06/60/804920660.db2.gz	DXPYXWWSAFOVFB-NSHDSACASA-N	-1	0	290.341	0.396	20	30		CCEDRM
N#Cc1ccc(COC(=O)[C@H](O)CCC(=O)[O-])cn1	ZINC001222961987	804942775	/nfs/dbraw/zinc/94/27/75/804942775.db2.gz	VZSJGYJTDANCGS-SNVBAGLBSA-N	-1	0	264.237	0.222	20	30		CCEDRM
CC[C@@H]1OC(C)=C(OCC[P@@](=O)([O-])O)C1=O	ZINC001224601622	805057944	/nfs/dbraw/zinc/05/79/44/805057944.db2.gz	IRDOTZDEFHEBCU-ZETCQYMHSA-N	-1	0	250.187	0.790	20	30		CCEDRM
C=CCOC[C@H](CS(=O)(=O)[O-])Oc1ccncc1	ZINC001225291219	805120336	/nfs/dbraw/zinc/12/03/36/805120336.db2.gz	PQFBAMNLTHAPIG-LLVKDONJSA-N	-1	0	273.310	0.919	20	30		CCEDRM
C#C[C@H](Oc1[nH]c(=O)ncc1C(=O)OCC)C(=O)OCC	ZINC001225899437	805174745	/nfs/dbraw/zinc/17/47/45/805174745.db2.gz	MDFARMYFZGJVAU-VIFPVBQESA-N	-1	0	294.263	0.303	20	30		CCEDRM
CC(=O)N1CC(Oc2[n-]c(=O)c(F)cc2C#N)C1	ZINC001226008992	805185878	/nfs/dbraw/zinc/18/58/78/805185878.db2.gz	PLGLSMZHOLNPLY-UHFFFAOYSA-N	-1	0	251.217	0.407	20	30		CCEDRM
N#Cc1cc(F)c(=O)[n-]c1O[C@H]1CCCOC1=O	ZINC001226009132	805185976	/nfs/dbraw/zinc/18/59/76/805185976.db2.gz	SVONTIOXVNZQFR-QMMMGPOBSA-N	-1	0	252.201	0.882	20	30		CCEDRM
C#CC[C@@H](CC)Oc1[n-]c(=O)nc2c(=O)[n-]c(=O)[nH]c21	ZINC001226886149	805290594	/nfs/dbraw/zinc/29/05/94/805290594.db2.gz	LENBWQYLVNEEJY-ZCFIWIBFSA-N	-1	0	276.252	0.717	20	30		CCEDRM
Cc1ccc(C#N)cc1OC(=O)[C@H](O)CCC(=O)[O-]	ZINC001226876282	805291774	/nfs/dbraw/zinc/29/17/74/805291774.db2.gz	BTIGRQRNYDDAFH-SNVBAGLBSA-N	-1	0	263.249	0.998	20	30		CCEDRM
COc1ncnc([N-]S(=O)(=O)CC(F)(F)F)c1C#N	ZINC001253123331	808007059	/nfs/dbraw/zinc/00/70/59/808007059.db2.gz	BRBPZPUVHVFCJK-UHFFFAOYSA-N	-1	0	296.230	0.661	20	30		CCEDRM
C=C[C@H](O)C[NH2+]C1(P(=O)([O-])[O-])Cc2ccccc2C1	ZINC001253601162	808095210	/nfs/dbraw/zinc/09/52/10/808095210.db2.gz	LJTASRIVJDJWKT-LBPRGKRZSA-N	-1	0	283.264	0.796	20	30		CCEDRM
N#Cc1ccccc1C=CC(=O)NCc1nc(=O)o[n-]1	ZINC001254033744	808169248	/nfs/dbraw/zinc/16/92/48/808169248.db2.gz	WWWNSIFMHVKETB-AATRIKPKSA-N	-1	0	270.248	0.564	20	30		CCEDRM
N#CCCCCc1cn(CCOCCOCC(=O)[O-])nn1	ZINC001254090738	808180111	/nfs/dbraw/zinc/18/01/11/808180111.db2.gz	WEUUVKCJKDVDJW-UHFFFAOYSA-N	-1	0	296.327	0.632	20	30		CCEDRM
C#CC[S@](=O)Cc1cn(-c2cccc(C(=O)[O-])c2)nn1	ZINC001254098629	808181734	/nfs/dbraw/zinc/18/17/34/808181734.db2.gz	LHHYIWIYBVMBFE-FQEVSTJZSA-N	-1	0	289.316	0.847	20	30		CCEDRM
CC(C)n1ncc(C#N)c1[N-]S(=O)(=O)c1cn(C)cn1	ZINC001258993703	808708600	/nfs/dbraw/zinc/70/86/00/808708600.db2.gz	DPVUZGUNUZLQJM-UHFFFAOYSA-N	-1	0	294.340	0.870	20	30		CCEDRM
Cn1nnnc1[N-]S(=O)(=O)c1ccc(F)c(C#N)c1	ZINC001259410886	808756648	/nfs/dbraw/zinc/75/66/48/808756648.db2.gz	FBGTZGXBFNBVMP-UHFFFAOYSA-N	-1	0	282.260	0.022	20	30		CCEDRM
CCOC(=O)[C@@H](C#N)[N-]S(=O)(=O)CCC(F)(F)F	ZINC001259875387	808790259	/nfs/dbraw/zinc/79/02/59/808790259.db2.gz	AIMWUXMYJYIMPE-ZCFIWIBFSA-N	-1	0	288.247	0.313	20	30		CCEDRM
Cn1ccc(S(=O)(=O)[N-]c2cccnc2C#N)n1	ZINC001259937771	808812231	/nfs/dbraw/zinc/81/22/31/808812231.db2.gz	PRCDDNBBSYRDII-UHFFFAOYSA-N	-1	0	263.282	0.488	20	30		CCEDRM
COCCS(=O)(=O)[N-]c1cc(OC)ccc1C#N	ZINC001259971934	808832798	/nfs/dbraw/zinc/83/27/98/808832798.db2.gz	XCWUWWKIAUZVIH-UHFFFAOYSA-N	-1	0	270.310	0.955	20	30		CCEDRM
Cc1nn(C)c(C)c1S(=O)(=O)[N-]c1ncn(C)c1C#N	ZINC001260107199	808852717	/nfs/dbraw/zinc/85/27/17/808852717.db2.gz	VXDMUAINYXQUIB-UHFFFAOYSA-N	-1	0	294.340	0.443	20	30		CCEDRM
N#Cc1cccc(C#N)c1[N-]S(=O)(=O)c1cn[nH]c1	ZINC001260959102	808890607	/nfs/dbraw/zinc/89/06/07/808890607.db2.gz	DDSXSBQRWIHAHZ-UHFFFAOYSA-N	-1	0	273.277	0.954	20	30		CCEDRM
C=CCCn1cc(C(=O)[N-]S(=O)(=O)C(C)(C)C)nn1	ZINC001261440473	808979430	/nfs/dbraw/zinc/97/94/30/808979430.db2.gz	MKFVBVRLOLBHNH-UHFFFAOYSA-N	-1	0	286.357	0.712	20	30		CCEDRM
C=C[C@@H]1OCC[C@H]1CNC(=O)NC1(C(=O)[O-])CC1	ZINC001262176634	809223005	/nfs/dbraw/zinc/22/30/05/809223005.db2.gz	UJPIYLGQLIDGRZ-IUCAKERBSA-N	-1	0	254.286	0.494	20	30		CCEDRM
C#C[C@@H](NC(=O)c1c[n-]ncc1=O)C1CCOCC1	ZINC001262632609	809380062	/nfs/dbraw/zinc/38/00/62/809380062.db2.gz	OKNSYVSHTJLWOS-LLVKDONJSA-N	-1	0	261.281	0.340	20	30		CCEDRM
Cn1c(=O)[n-]c(N2CCC[C@@](C)(F)C2)c(C#N)c1=O	ZINC001262697806	809398437	/nfs/dbraw/zinc/39/84/37/809398437.db2.gz	ZOZWUWHQZGKVFH-GFCCVEGCSA-N	-1	0	266.276	0.274	20	30		CCEDRM
C#CCCCCNC(=O)N(CCOC)CCC(=O)[O-]	ZINC001263063661	809430544	/nfs/dbraw/zinc/43/05/44/809430544.db2.gz	ZXPRORGGEPMICP-UHFFFAOYSA-N	-1	0	270.329	0.923	20	30		CCEDRM
CNC(=O)C(C#N)=C([O-])c1ccc(N2CCOC2=O)cc1	ZINC001263375218	809514010	/nfs/dbraw/zinc/51/40/10/809514010.db2.gz	IPACINIYDMRVKD-LLVKDONJSA-N	-1	0	287.275	0.712	20	30		CCEDRM
C=CC[C@@H](NC(=O)NCC1=CCCOC1)C(=O)[O-]	ZINC000379567330	809515735	/nfs/dbraw/zinc/51/57/35/809515735.db2.gz	KBACXUGJQDRCHH-SNVBAGLBSA-N	-1	0	254.286	0.662	20	30		CCEDRM
Cn1ccnc1C([O-])=C(C#N)C(=O)[C@@H]1[C@H]2CCCO[C@H]21	ZINC001263414124	809518524	/nfs/dbraw/zinc/51/85/24/809518524.db2.gz	QXYURYIDFGJWNZ-KEPMVKOISA-N	-1	0	273.292	0.737	20	30		CCEDRM
C#CC[C@H](NC(=O)c1c(Cl)cnn1C)C(=O)[O-]	ZINC000696503119	813965761	/nfs/dbraw/zinc/96/57/61/813965761.db2.gz	KWUWDCLZLGMBAK-ZETCQYMHSA-N	-1	0	255.661	0.280	20	30		CCEDRM
C#CCSCCNC(=O)N1CC(F)(F)C[C@@H]1C(=O)[O-]	ZINC000713522818	814154041	/nfs/dbraw/zinc/15/40/41/814154041.db2.gz	AKRLLRIJQSRYJT-MRVPVSSYSA-N	-1	0	292.307	0.857	20	30		CCEDRM
CC#CCCNC(=O)N1CC(F)(F)C[C@@H]1C(=O)[O-]	ZINC000713556527	814179041	/nfs/dbraw/zinc/17/90/41/814179041.db2.gz	QMTCHYLBMYLJOM-MRVPVSSYSA-N	-1	0	260.240	0.904	20	30		CCEDRM
N#CC(C(=O)NC1CC1)=C([O-])c1cnn(-c2ccccc2)n1	ZINC000129419097	815615771	/nfs/dbraw/zinc/61/57/71/815615771.db2.gz	PYOYVXHURACFDS-GFCCVEGCSA-N	-1	0	295.302	0.868	20	30		CCEDRM
C=CCN(CC(=O)[O-])C(=O)c1nnn(C(C)(C)C)n1	ZINC000697233313	814749593	/nfs/dbraw/zinc/74/95/93/814749593.db2.gz	AGHLJZJCWZKZQK-UHFFFAOYSA-N	-1	0	267.289	0.141	20	30		CCEDRM
C=CCOC[C@H](CS(=O)(=O)[O-])Oc1cccoc1=O	ZINC001229087591	814902694	/nfs/dbraw/zinc/90/26/94/814902694.db2.gz	CHUYABGQXMXRHJ-SECBINFHSA-N	-1	0	290.293	0.478	20	30		CCEDRM
C#CCO[N-]C(=O)[C@@H]1CS[C@@]2(C)CCC(=O)N12	ZINC000700567686	818802489	/nfs/dbraw/zinc/80/24/89/818802489.db2.gz	SKBHQLISCNLLPQ-KWQFWETISA-N	-1	0	254.311	0.121	20	30		CCEDRM
N#CC1(CS(=O)(=O)[N-]C(=O)[C@H]2CCSC2)CC1	ZINC000793203174	837407172	/nfs/dbraw/zinc/40/71/72/837407172.db2.gz	AIGUPEQIXJVQNW-QMMMGPOBSA-N	-1	0	274.367	0.489	20	30		CCEDRM
C[C@]1(C(=O)[N-]S(=O)(=O)CC2(C#N)CC2)CCCO1	ZINC000793204327	837407406	/nfs/dbraw/zinc/40/74/06/837407406.db2.gz	HSQDMHMNWTZALP-SNVBAGLBSA-N	-1	0	272.326	0.305	20	30		CCEDRM
O=C(CCC(=O)C1=CC=C[CH]1)Nc1ncnc2n[nH]nc21	ZINC001184240255	844186455	/nfs/dbraw/zinc/18/64/55/844186455.db2.gz	DHHQUOZXHZNEKP-UHFFFAOYSA-N	-1	0	283.271	0.736	20	30		CCEDRM
CN1CCO[C@H](CNC(=O)CCC(=O)C2=CC=C[CH]2)C1	ZINC001184244615	844187375	/nfs/dbraw/zinc/18/73/75/844187375.db2.gz	SKACNTBEJYCQKB-CYBMUJFWSA-N	-1	0	277.344	0.483	20	30		CCEDRM
CN1CCC[C@H](NC(=O)CCC(=O)C2=CC=C[CH]2)C1=O	ZINC001184246716	844188481	/nfs/dbraw/zinc/18/84/81/844188481.db2.gz	YPTGWOHFICXRGH-LBPRGKRZSA-N	-1	0	275.328	0.773	20	30		CCEDRM
COC(=O)[C@H]1C[C@H]1CNC(=O)CCC(=O)C1=CC=C[CH]1	ZINC001184246336	844188540	/nfs/dbraw/zinc/18/85/40/844188540.db2.gz	QARQVHXGWDEJKC-RYUDHWBXSA-N	-1	0	276.312	0.961	20	30		CCEDRM
NC(=NC(=O)c1ncc(C(F)(F)F)[n-]1)c1ncc[nH]1	ZINC001188295324	844856649	/nfs/dbraw/zinc/85/66/49/844856649.db2.gz	LGPAPZFQYMTWHY-UHFFFAOYSA-N	-1	0	272.190	0.697	20	30		CCEDRM
Cc1n[nH]c(C(=O)N[C@@H](C)C[C@@H](C)NCC#N)c1[O-]	ZINC001134094864	838865519	/nfs/dbraw/zinc/86/55/19/838865519.db2.gz	MFMBNYMOHFWRLL-SFYZADRCSA-N	-1	0	265.317	0.434	20	30		CCEDRM
N#CCN(CC#N)C(=O)c1s[n-]c(=O)c1Cl	ZINC001136559722	839659165	/nfs/dbraw/zinc/65/91/65/839659165.db2.gz	LYMIQCYFYZLNLG-UHFFFAOYSA-N	-1	0	256.674	0.991	20	30		CCEDRM
C=CC[C@H](C)C(=O)N[C@@H](CCC(=O)[O-])C(=O)OC	ZINC001144028320	839916169	/nfs/dbraw/zinc/91/61/69/839916169.db2.gz	WCMGGLXEDJXNAC-IUCAKERBSA-N	-1	0	257.286	0.721	20	30		CCEDRM
CC(=O)N[C@@H](CS)C(=O)Nc1cc(C#N)c(F)cc1[O-]	ZINC001144410976	840035532	/nfs/dbraw/zinc/03/55/32/840035532.db2.gz	LYNBXJLUBVDFTO-JTQLQIEISA-N	-1	0	297.311	0.776	20	30		CCEDRM
N#C[C@H]1COCCN1C(=O)c1cc(=O)n(-c2ccccc2)[n-]1	ZINC001147884750	840713128	/nfs/dbraw/zinc/71/31/28/840713128.db2.gz	WZTAAZKEJDIZHS-LBPRGKRZSA-N	-1	0	298.302	0.530	20	30		CCEDRM
Cc1n[nH]c(C(=O)NCCNc2ccc(C#N)nc2)c1[O-]	ZINC001093585686	841352738	/nfs/dbraw/zinc/35/27/38/841352738.db2.gz	SWKXIYLJHMAKBL-UHFFFAOYSA-N	-1	0	286.295	0.532	20	30		CCEDRM
N#Cc1c2c(sc1NC(=O)Cc1nnn[n-]1)CCC2	ZINC001176837774	842423558	/nfs/dbraw/zinc/42/35/58/842423558.db2.gz	GPHYBZCYMAKUKF-UHFFFAOYSA-N	-1	0	274.309	0.803	20	30		CCEDRM
COC(=O)c1cc(C#N)cc(NC(=O)Cc2nnn[n-]2)c1	ZINC001176845689	842446284	/nfs/dbraw/zinc/44/62/84/842446284.db2.gz	YRSBOAICJOLNPZ-UHFFFAOYSA-N	-1	0	286.251	0.039	20	30		CCEDRM
CCOC(=O)c1cnc(NC(=O)C#Cc2cccnc2)[n-]1	ZINC001177773246	842659230	/nfs/dbraw/zinc/65/92/30/842659230.db2.gz	LZEUZPDEURLWDU-UHFFFAOYSA-N	-1	0	284.275	0.972	20	30		CCEDRM
CC(C)C[C@@](C)(C#N)NC(=O)Cn1nn[n-]c1=S	ZINC001177742668	842665404	/nfs/dbraw/zinc/66/54/04/842665404.db2.gz	GZCAYZCKXKQUOB-JTQLQIEISA-N	-1	0	268.346	0.406	20	30		CCEDRM
N#C[C@H]1CN(C(=O)C2(C(=O)[O-])CCCCC2)CCO1	ZINC001180438179	843167043	/nfs/dbraw/zinc/16/70/43/843167043.db2.gz	JQYMABYAWANHFZ-JTQLQIEISA-N	-1	0	266.297	0.772	20	30		CCEDRM
C[C@@H](C(=O)N(O)C(=N)c1ccccc1N)N1CCCC1=O	ZINC001181303046	843454817	/nfs/dbraw/zinc/45/48/17/843454817.db2.gz	KXDTUQXSFYKYAN-VIFPVBQESA-N	-1	0	290.323	0.823	20	30		CCEDRM
COC(=O)CCS(=O)(=O)[N-]c1onc(C)c1C#N	ZINC001188342556	844870768	/nfs/dbraw/zinc/87/07/68/844870768.db2.gz	BROLJQWJXUFXRS-UHFFFAOYSA-N	-1	0	273.270	0.160	20	30		CCEDRM
Cn1cnc(C#N)c1[N-]S(=O)(=O)c1ccoc1	ZINC001188580002	844925132	/nfs/dbraw/zinc/92/51/32/844925132.db2.gz	QUGTXFULZXHDPP-UHFFFAOYSA-N	-1	0	252.255	0.686	20	30		CCEDRM
N#Cc1c[n-]c(=O)n(Cc2c(F)cccc2[N+](=O)[O-])c1=O	ZINC001189575069	845173726	/nfs/dbraw/zinc/17/37/26/845173726.db2.gz	RWAHXYSUWFXNKX-UHFFFAOYSA-N	-1	0	290.210	0.504	20	30		CCEDRM
Cc1cc(C)c2c([N-]S(=O)(=O)CC#N)nn(C)c2n1	ZINC001192942783	845930093	/nfs/dbraw/zinc/93/00/93/845930093.db2.gz	BOXXTKDYTPXZJS-UHFFFAOYSA-N	-1	0	279.325	0.850	20	30		CCEDRM
N#CCS(=O)(=O)[N-]c1cc2n(n1)CC1(CC1)CO2	ZINC001192950872	845932426	/nfs/dbraw/zinc/93/24/26/845932426.db2.gz	DGTKBZZECSEWNF-UHFFFAOYSA-N	-1	0	268.298	0.321	20	30		CCEDRM
N#CCS(=O)(=O)[N-]c1cc2n(n1)CC(F)(F)CO2	ZINC001192952134	845934566	/nfs/dbraw/zinc/93/45/66/845934566.db2.gz	XZLWHLUNOUPSEN-UHFFFAOYSA-N	-1	0	278.240	0.176	20	30		CCEDRM
CS(=O)(=O)c1ccc(F)c([N-]S(=O)(=O)CC#N)c1	ZINC001192971904	845957363	/nfs/dbraw/zinc/95/73/63/845957363.db2.gz	BKZHVCBMVMVJFU-UHFFFAOYSA-N	-1	0	292.313	0.494	20	30		CCEDRM
COc1ccc(NC(C)=O)cc1[N-]S(=O)(=O)CC#N	ZINC001192978779	845961297	/nfs/dbraw/zinc/96/12/97/845961297.db2.gz	GBEYTAMTQWKDHJ-UHFFFAOYSA-N	-1	0	283.309	0.919	20	30		CCEDRM
C[C@@H](C#N)S(=O)(=O)[N-]c1cnccc1N(C)C	ZINC001193105354	845978348	/nfs/dbraw/zinc/97/83/48/845978348.db2.gz	VBSGXJPSIGASKP-QMMMGPOBSA-N	-1	0	254.315	0.801	20	30		CCEDRM
COC(=O)c1ccc([N-]S(=O)(=O)[C@@H](C)C#N)cn1	ZINC001193106040	845979994	/nfs/dbraw/zinc/97/99/94/845979994.db2.gz	JQTNRFBUTYETGU-ZETCQYMHSA-N	-1	0	269.282	0.522	20	30		CCEDRM
COc1cc(OC)c([N-]S(=O)(=O)[C@@H](C)C#N)cn1	ZINC001193111153	845980924	/nfs/dbraw/zinc/98/09/24/845980924.db2.gz	COSNOYVYNVPOAD-ZETCQYMHSA-N	-1	0	271.298	0.753	20	30		CCEDRM
Cc1ccc([N-]S(=O)(=O)[C@H](C)C#N)c(C(N)=O)c1	ZINC001193151157	846006485	/nfs/dbraw/zinc/00/64/85/846006485.db2.gz	NCOFRBNWYRCQKC-MRVPVSSYSA-N	-1	0	267.310	0.748	20	30		CCEDRM
COc1ccc(CO)c([N-]S(=O)(=O)[C@H](C)C#N)c1	ZINC001193149423	846006818	/nfs/dbraw/zinc/00/68/18/846006818.db2.gz	OFRZEQGPMPYYDV-MRVPVSSYSA-N	-1	0	270.310	0.841	20	30		CCEDRM
CCCCCOC(=O)CNS(=O)(=O)[C@@H](C)C#N	ZINC001193194923	846013585	/nfs/dbraw/zinc/01/35/85/846013585.db2.gz	WPEBEFOFNMVFKX-VIFPVBQESA-N	-1	0	262.331	0.551	20	30		CCEDRM
CS(=O)(=O)[C@H]1C[C@H](NC(=O)c2ccc([O-])c(C#N)c2)C1	ZINC001193515587	846103296	/nfs/dbraw/zinc/10/32/96/846103296.db2.gz	PBDNMKKNKUHMDC-XYPYZODXSA-N	-1	0	294.332	0.569	20	30		CCEDRM
Cc1cnc([N-]S(=O)(=O)c2nccn2C)c(C#N)c1	ZINC001193561902	846120127	/nfs/dbraw/zinc/12/01/27/846120127.db2.gz	TZRIHGPJADCNST-UHFFFAOYSA-N	-1	0	277.309	0.796	20	30		CCEDRM
Cn1ccnc1CCNC(=O)c1cccc(C#N)c1[O-]	ZINC001193658631	846139926	/nfs/dbraw/zinc/13/99/26/846139926.db2.gz	CEMJFLFJPGMAGK-UHFFFAOYSA-N	-1	0	270.292	0.970	20	30		CCEDRM
COC(=O)[C@H]1C[C@H]1CNC(=O)c1cccc(C#N)c1[O-]	ZINC001193659362	846139962	/nfs/dbraw/zinc/13/99/62/846139962.db2.gz	LTLFJDFEABPUGK-ONGXEEELSA-N	-1	0	274.276	0.803	20	30		CCEDRM
N#Cc1cccc(C(=O)NCCc2cc[nH]n2)c1[O-]	ZINC001193658068	846140000	/nfs/dbraw/zinc/14/00/00/846140000.db2.gz	RMZDOXCYOHNBPC-UHFFFAOYSA-N	-1	0	256.265	0.959	20	30		CCEDRM
C=C[C@H]1C[C@@]1(NC(=O)c1cc(=O)n(C)[n-]1)C(=O)OCC	ZINC001194212549	846241918	/nfs/dbraw/zinc/24/19/18/846241918.db2.gz	SZMGDYUFNCYOSX-SDBXPKJASA-N	-1	0	279.296	0.363	20	30		CCEDRM
C[C@@]1(CO)CN(C(=O)c2ccc(C#N)cc2[O-])CC[C@@H]1O	ZINC001195741117	846618821	/nfs/dbraw/zinc/61/88/21/846618821.db2.gz	OIVVCRLSYQQHJA-ZFWWWQNUSA-N	-1	0	290.319	0.469	20	30		CCEDRM
N#Cc1ccc(C(=O)N2CC[C@H](O)[C@@H](CO)C2)c([O-])c1	ZINC001195740838	846619753	/nfs/dbraw/zinc/61/97/53/846619753.db2.gz	LUERJOLIEKUJPJ-PWSUYJOCSA-N	-1	0	276.292	0.079	20	30		CCEDRM
N#Cc1ccc(C(=O)N2CC[C@H](CO)[C@H](O)C2)c([O-])c1	ZINC001195740464	846619812	/nfs/dbraw/zinc/61/98/12/846619812.db2.gz	GCWIEPKCLLTEHQ-ZWNOBZJWSA-N	-1	0	276.292	0.079	20	30		CCEDRM
CCOC(=O)CS(=O)(=O)[N-]c1csc(C#N)c1	ZINC001195941596	846645505	/nfs/dbraw/zinc/64/55/05/846645505.db2.gz	JASZXWOCTRZGRU-UHFFFAOYSA-N	-1	0	274.323	0.925	20	30		CCEDRM
COC(=O)CCCCS(=O)(=O)[N-]c1nnccc1C#N	ZINC001196924240	846815249	/nfs/dbraw/zinc/81/52/49/846815249.db2.gz	AQIAOECSPSHTGL-UHFFFAOYSA-N	-1	0	298.324	0.433	20	30		CCEDRM
C#Cc1nccnc1[N-]S(=O)(=O)Cc1cccnc1	ZINC001197421924	846907670	/nfs/dbraw/zinc/90/76/70/846907670.db2.gz	OTFNLEZBVQSFEH-UHFFFAOYSA-N	-1	0	274.305	0.795	20	30		CCEDRM
Cn1[n-]nnc1=NC(=S)Nc1cccc(C#N)c1	ZINC001197671169	846943908	/nfs/dbraw/zinc/94/39/08/846943908.db2.gz	MDQJPDNIMYMCOM-UHFFFAOYSA-N	-1	0	259.298	0.313	20	30		CCEDRM
C=CC[C@@H](NC(=O)NCCn1cccn1)C(=O)[O-]	ZINC000161737944	847818124	/nfs/dbraw/zinc/81/81/24/847818124.db2.gz	YVPOZJHPOUJVEH-SECBINFHSA-N	-1	0	252.274	0.212	20	30		CCEDRM
CN(CC(=O)[O-])S(=O)(=O)c1cc(Cl)ccc1C#N	ZINC000037418994	848119131	/nfs/dbraw/zinc/11/91/31/848119131.db2.gz	ONNNQSWLBNQJOZ-UHFFFAOYSA-N	-1	0	288.712	0.917	20	30		CCEDRM
CN1CCC12CN(C(=O)c1ccc([O-])c(C#N)c1)C2	ZINC001275708077	848797454	/nfs/dbraw/zinc/79/74/54/848797454.db2.gz	ICNREKKBYBFERW-UHFFFAOYSA-N	-1	0	257.293	0.794	20	30		CCEDRM
CN1CCC12CN(C(=O)c1cccc(C#N)c1[O-])C2	ZINC001275734670	848804906	/nfs/dbraw/zinc/80/49/06/848804906.db2.gz	MVYPXFFHUXOBNV-UHFFFAOYSA-N	-1	0	257.293	0.794	20	30		CCEDRM
N#Cc1cc(C(=O)N2CC3(C[C@H]3C(N)=O)C2)ccc1[O-]	ZINC001276156789	848941976	/nfs/dbraw/zinc/94/19/76/848941976.db2.gz	YZNZNRCOGQSHJO-JTQLQIEISA-N	-1	0	271.276	0.211	20	30		CCEDRM
C#CCN(C)S(=O)(=O)c1ccc(C(=O)[O-])cc1C	ZINC000380660524	849681873	/nfs/dbraw/zinc/68/18/73/849681873.db2.gz	DYCVZUADVDQAMY-UHFFFAOYSA-N	-1	0	267.306	0.947	20	30		CCEDRM
CC(C)[C@H](C#N)[N-]S(=O)(=O)N=S(C)(C)=O	ZINC000903115368	852140885	/nfs/dbraw/zinc/14/08/85/852140885.db2.gz	MCRZKTRWHSTTQS-ZETCQYMHSA-N	-1	0	253.349	0.097	20	30		CCEDRM
C=CC(C)(C)C(=O)N1C[C@H](C)[C@H]([NH2+]Cc2n[nH]c(=O)[n-]2)C1	ZINC001054976672	853047194	/nfs/dbraw/zinc/04/71/94/853047194.db2.gz	OEJGHZJGJZADLM-VHSXEESVSA-N	-1	0	293.371	0.659	20	30		CCEDRM
C=CCN(CC(=O)[O-])C(=O)c1csc(NC)n1	ZINC000385068820	853881593	/nfs/dbraw/zinc/88/15/93/853881593.db2.gz	VNSYEYSVMCEZLD-UHFFFAOYSA-N	-1	0	255.299	0.320	20	30		CCEDRM
C=CCOc1ccc(C(=O)N2CC[C@](O)(C(=O)[O-])C2)cc1	ZINC000386578414	853944266	/nfs/dbraw/zinc/94/42/66/853944266.db2.gz	STWOMZHGQFCCNA-OAHLLOKOSA-N	-1	0	291.303	0.913	20	30		CCEDRM
C#CC[C@H](NC(=O)COc1ccc(OC)cc1)C(=O)[O-]	ZINC000149575565	853987181	/nfs/dbraw/zinc/98/71/81/853987181.db2.gz	VBCZQHAALWFLML-LBPRGKRZSA-N	-1	0	277.276	0.667	20	30		CCEDRM
C#CC[C@@H](NC(=O)CCn1nc(C)cc1C)C(=O)[O-]	ZINC000149653293	853990994	/nfs/dbraw/zinc/99/09/94/853990994.db2.gz	JHTKKSVYKNFKEN-LLVKDONJSA-N	-1	0	263.297	0.483	20	30		CCEDRM
C#CC[C@H](NC(=O)COc1ccccc1C)C(=O)[O-]	ZINC000149862464	854004001	/nfs/dbraw/zinc/00/40/01/854004001.db2.gz	HQYBRTZWOBZGSY-NSHDSACASA-N	-1	0	261.277	0.967	20	30		CCEDRM
C#CC[C@@H](NC(=O)[C@H]1COc2ccccc21)C(=O)[O-]	ZINC000149922278	854008626	/nfs/dbraw/zinc/00/86/26/854008626.db2.gz	QSBXTOIZTPQQIZ-WDEREUQCSA-N	-1	0	259.261	0.755	20	30		CCEDRM
C#CC[C@@H](NC(=O)c1ccnc(N(C)C)c1)C(=O)[O-]	ZINC000149968130	854009996	/nfs/dbraw/zinc/00/99/96/854009996.db2.gz	KIAGFDYDZWQUCQ-SNVBAGLBSA-N	-1	0	261.281	0.354	20	30		CCEDRM
C#CC[C@H](NC(=O)[C@@H]1CC(=O)N(CC(C)C)C1)C(=O)[O-]	ZINC000149976676	854011764	/nfs/dbraw/zinc/01/17/64/854011764.db2.gz	NSSMSKXCKUUTKV-MNOVXSKESA-N	-1	0	280.324	0.084	20	30		CCEDRM
C#CC[C@H](NC(=O)c1cccc2c1OCCO2)C(=O)[O-]	ZINC000149977477	854011807	/nfs/dbraw/zinc/01/18/07/854011807.db2.gz	VOYRTDQKSOYUFG-JTQLQIEISA-N	-1	0	275.260	0.664	20	30		CCEDRM
N#CCc1ccc(C(=O)NCc2nc(=O)o[n-]2)cc1	ZINC001116421107	855763857	/nfs/dbraw/zinc/76/38/57/855763857.db2.gz	POEFHULMNOJLHG-UHFFFAOYSA-N	-1	0	258.237	0.359	20	30		CCEDRM
C#CCNC(=O)c1ccc(N[C@@H](C)CC(=O)[O-])nc1	ZINC001118024009	856139129	/nfs/dbraw/zinc/13/91/29/856139129.db2.gz	XUPNVHXNCRXHCU-VIFPVBQESA-N	-1	0	261.281	0.720	20	30		CCEDRM
C=CC1(S(=O)(=O)[N-]C(=O)[C@@H]2CCNC(=O)CC2)CC1	ZINC001119056219	856544984	/nfs/dbraw/zinc/54/49/84/856544984.db2.gz	MSILNPFTLCWRPM-VIFPVBQESA-N	-1	0	286.353	0.067	20	30		CCEDRM
C=CCOC[C@@H](NCc1cc(C)n(C)n1)C(=O)[O-]	ZINC001119601492	856770871	/nfs/dbraw/zinc/77/08/71/856770871.db2.gz	FIYHIDUMEGJFKZ-LLVKDONJSA-N	-1	0	253.302	0.474	20	30		CCEDRM
C#CC[C@H](NC(=O)CCc1ccc(=O)[nH]c1)C(=O)[O-]	ZINC001119643754	856803851	/nfs/dbraw/zinc/80/38/51/856803851.db2.gz	FJDXQPGFJLSOFB-JTQLQIEISA-N	-1	0	262.265	0.313	20	30		CCEDRM
CCOc1ccc(C(=O)[N-]S(=O)(=O)CCCC#N)cn1	ZINC001323470886	912364207	/nfs/dbraw/zinc/36/42/07/912364207.db2.gz	IPVSTJIDFIGEOQ-UHFFFAOYSA-N	-1	0	297.336	0.844	20	30		CCEDRM
C=CC(C)(C)C(=O)NCCN(C)Cc1n[nH]c(=O)[n-]1	ZINC001480899471	891715169	/nfs/dbraw/zinc/71/51/69/891715169.db2.gz	OLJGFTCXMVKHGV-UHFFFAOYSA-N	-1	0	267.333	0.271	20	30		CCEDRM
C#Cc1ccccc1CC(=O)[N-]S(=O)(=O)C(F)F	ZINC001325909800	913637717	/nfs/dbraw/zinc/63/77/17/913637717.db2.gz	RGOUQBFAZUXXSJ-UHFFFAOYSA-N	-1	0	273.260	0.879	20	30		CCEDRM
CC(C)[C@H](Nc1[n-]c(=O)n(C)c(=O)c1C#N)C(C)(C)O	ZINC001421128782	892515764	/nfs/dbraw/zinc/51/57/64/892515764.db2.gz	DUQCSOSATJRHKA-VIFPVBQESA-N	-1	0	280.328	0.153	20	30		CCEDRM
COc1ccc(C)cc1Cn1c(=O)[n-]cc(C#N)c1=O	ZINC001421410094	892600189	/nfs/dbraw/zinc/60/01/89/892600189.db2.gz	NMNOLULGXAVIGI-UHFFFAOYSA-N	-1	0	271.276	0.774	20	30		CCEDRM
Cc1cc(C#N)c(=O)[n-]c1C(=O)NC1CN(C(C)C)C1	ZINC001362376444	893558241	/nfs/dbraw/zinc/55/82/41/893558241.db2.gz	RRHSQUWKMCLQOA-UHFFFAOYSA-N	-1	0	274.324	0.790	20	30		CCEDRM
C[C@@H](CCNCC#N)NC(=O)c1ccc2oc(=O)nc-2[n-]1	ZINC001482888394	894670362	/nfs/dbraw/zinc/67/03/62/894670362.db2.gz	JQRKOBDZVXEFRL-QMMMGPOBSA-N	-1	0	289.295	0.550	20	30		CCEDRM
CC(=Nn1c(=O)c(C)n[n-]c1=S)c1cn[nH]c1	ZINC001326874986	914244064	/nfs/dbraw/zinc/24/40/64/914244064.db2.gz	XQJANFOCNGGARW-UHFFFAOYSA-N	-1	0	250.287	0.231	20	30		CCEDRM
Cc1n[nH]c(C(=O)N[C@H]2C[C@H](NCC#N)C23CCC3)c1[O-]	ZINC001078601817	898428916	/nfs/dbraw/zinc/42/89/16/898428916.db2.gz	MMGVLHVZFMLALL-UWVGGRQHSA-N	-1	0	289.339	0.578	20	30		CCEDRM
Cc1ncc(CO)c(C(=O)Nc2cnc(C#N)cn2)c1[O-]	ZINC001147832578	899899051	/nfs/dbraw/zinc/89/90/51/899899051.db2.gz	TVZLNLZZTUSPOT-UHFFFAOYSA-N	-1	0	285.263	0.502	20	30		CCEDRM
COC(=O)C1([N-]S(=O)(=O)CC#N)Cc2ccccc2C1	ZINC001192933457	900026059	/nfs/dbraw/zinc/02/60/59/900026059.db2.gz	VTJMFLRDGUFBTF-UHFFFAOYSA-N	-1	0	294.332	0.140	20	30		CCEDRM
CCOC(=O)c1cnn(C)c1[N-]S(=O)(=O)[C@H](C)C#N	ZINC001193106900	900031485	/nfs/dbraw/zinc/03/14/85/900031485.db2.gz	ZZGWJULKYRDXSV-SSDOTTSWSA-N	-1	0	286.313	0.251	20	30		CCEDRM
CCOC(=O)c1ncsc1[N-]S(=O)(=O)[C@@H](C)C#N	ZINC001193107678	900033077	/nfs/dbraw/zinc/03/30/77/900033077.db2.gz	ZSSHRAXSOCQWMZ-LURJTMIESA-N	-1	0	289.338	0.974	20	30		CCEDRM
C=CCCC(=O)N[C@H](C)CN(C)C(=O)c1n[nH]c(C)c1[O-]	ZINC001487750977	900131617	/nfs/dbraw/zinc/13/16/17/900131617.db2.gz	JSSFOGALGYVTJL-SECBINFHSA-N	-1	0	294.355	0.967	20	30		CCEDRM
Cc1cc(C#N)c(=O)[n-]c1C(=O)N[C@H](C)c1nc[nH]n1	ZINC001411943522	901347005	/nfs/dbraw/zinc/34/70/05/901347005.db2.gz	LNVAGUXYTPGZKJ-SSDOTTSWSA-N	-1	0	272.268	0.576	20	30		CCEDRM
N#Cc1nc(NC(=O)CC2(O)CCOCC2)[n-]c1C#N	ZINC001412292967	901624829	/nfs/dbraw/zinc/62/48/29/901624829.db2.gz	PTPUIXMFLDJIKY-UHFFFAOYSA-N	-1	0	275.268	0.023	20	30		CCEDRM
COc1cccc([C@@H](O)C(=O)Nc2nc(C#N)c(C#N)[n-]2)c1	ZINC001412292620	901624834	/nfs/dbraw/zinc/62/48/34/901624834.db2.gz	NIOKYQKAPGIGHW-GFCCVEGCSA-N	-1	0	297.274	0.834	20	30		CCEDRM
Cc1ccc(CNC(=O)Cn2c(=O)[n-][nH]c2=O)cc1C#N	ZINC001412566633	901830554	/nfs/dbraw/zinc/83/05/54/901830554.db2.gz	WTMWBPYUVCWZNW-UHFFFAOYSA-N	-1	0	287.279	0.186	20	30		CCEDRM
CSc1[n-]c(=O)c(C(=O)NN2CCCC2=O)cc1C#N	ZINC001412724108	901987088	/nfs/dbraw/zinc/98/70/88/901987088.db2.gz	HEZOHBQSARRCKW-UHFFFAOYSA-N	-1	0	292.320	0.648	20	30		CCEDRM
CC[C@@H](CC#N)NC(=O)c1ccc(-c2nn[nH]n2)cn1	ZINC001412797937	902132351	/nfs/dbraw/zinc/13/23/51/902132351.db2.gz	SZVZIBYIBJLBQZ-VIFPVBQESA-N	-1	0	271.284	0.684	20	30		CCEDRM
N#CC1(c2ccccn2)CCN(C(=O)c2n[nH]c(=O)[n-]2)CC1	ZINC001412840178	902266710	/nfs/dbraw/zinc/26/67/10/902266710.db2.gz	RTTBOFYUKNVIQH-UHFFFAOYSA-N	-1	0	298.306	0.603	20	30		CCEDRM
C[C@H](CCC1CC1)NC(=O)Cn1cc(C#N)c(=O)[n-]c1=O	ZINC001412868398	902313894	/nfs/dbraw/zinc/31/38/94/902313894.db2.gz	FTTKEKDDCBJMTL-SECBINFHSA-N	-1	0	290.323	0.515	20	30		CCEDRM
C[C@H]1C[C@H](Nc2[n-]c(=O)n(C)c(=O)c2C#N)c2nccn21	ZINC001412886924	902332233	/nfs/dbraw/zinc/33/22/33/902332233.db2.gz	YIMBNVJSAQDFGS-CBAPKCEASA-N	-1	0	286.295	0.260	20	30		CCEDRM
N#Cc1ccc(Cn2c(=O)[n-]cc(C#N)c2=O)c(Cl)c1	ZINC001412919298	902356943	/nfs/dbraw/zinc/35/69/43/902356943.db2.gz	BLRAFYTTXVCXRR-UHFFFAOYSA-N	-1	0	286.678	0.982	20	30		CCEDRM
N#Cc1c[n-]n2c1nc(C[N@H+]1CCCC[C@H]1CO)cc2=O	ZINC001412944458	902380598	/nfs/dbraw/zinc/38/05/98/902380598.db2.gz	OABRJJYAXZQCOW-LBPRGKRZSA-N	-1	0	287.323	0.653	20	30		CCEDRM
N#Cc1cn(CCNC(=O)C2(CCF)CC2)c(=O)[n-]c1=O	ZINC001413311728	902863145	/nfs/dbraw/zinc/86/31/45/902863145.db2.gz	VQCRNPHNIOYNPE-UHFFFAOYSA-N	-1	0	294.286	0.077	20	30		CCEDRM
Cc1n[nH]c(C)c1C=Nn1c(=O)c(C)n[n-]c1=S	ZINC001337446558	921251160	/nfs/dbraw/zinc/25/11/60/921251160.db2.gz	OFBBOXKQEMQAJB-UHFFFAOYSA-N	-1	0	264.314	0.458	20	30		CCEDRM
CSCCCCNc1[n-]c(=O)n(C)c(=O)c1C#N	ZINC001337780692	921293319	/nfs/dbraw/zinc/29/33/19/921293319.db2.gz	DQURPDYQWRVLST-UHFFFAOYSA-N	-1	0	268.342	0.500	20	30		CCEDRM
C=CCONC(=O)c1ccc2n[nH]c(=S)n2c1	ZINC001297989687	907136901	/nfs/dbraw/zinc/13/69/01/907136901.db2.gz	BELZFUFBYQKEBT-UHFFFAOYSA-N	-1	0	250.283	0.865	20	30		CCEDRM
C=CCO[N-]C(=O)c1cc(S(=O)(=O)CC)c[nH]c1=O	ZINC001297989746	907137303	/nfs/dbraw/zinc/13/73/03/907137303.db2.gz	DHGNRVPXYOSJCJ-UHFFFAOYSA-N	-1	0	286.309	0.428	20	30		CCEDRM
O=C(N[C@@H]1CCN(O)C1=O)c1ccc(F)c(O)c1	ZINC001298424099	907238260	/nfs/dbraw/zinc/23/82/60/907238260.db2.gz	DPLMLYRPXWSRGQ-MRVPVSSYSA-N	-1	0	254.217	0.251	20	30		CCEDRM
Cn1c(=O)[n-]c(N[C@]23C[C@H]2CCCC3)c(C#N)c1=O	ZINC001338062385	921354652	/nfs/dbraw/zinc/35/46/52/921354652.db2.gz	AWJUFKVZDKXCME-AMIZOPFISA-N	-1	0	260.297	0.690	20	30		CCEDRM
N#C[C@H](NC(=O)CCCc1nnn[n-]1)C1CCCC1	ZINC001303059734	908057777	/nfs/dbraw/zinc/05/77/77/908057777.db2.gz	BKHIEJXIKIEUEH-JTQLQIEISA-N	-1	0	262.317	0.721	20	30		CCEDRM
CC(C)C#CC(=O)NCCN(Cc1n[nH]c(=O)[n-]1)C1CC1	ZINC001317553473	909323600	/nfs/dbraw/zinc/32/36/00/909323600.db2.gz	YDAJJOMKIZVOLU-UHFFFAOYSA-N	-1	0	291.355	0.250	20	30		CCEDRM
N#Cc1ccc(SCc2cc(=O)n3[n-]c(N)nc3n2)nc1	ZINC001318034459	909589829	/nfs/dbraw/zinc/58/98/29/909589829.db2.gz	XORVCSUBHFOTGJ-UHFFFAOYSA-N	-1	0	299.319	0.559	20	30		CCEDRM
C#CCNC(=O)Cc1c(C)nc(-c2ncccn2)[n-]c1=O	ZINC001318468371	909771090	/nfs/dbraw/zinc/77/10/90/909771090.db2.gz	HTBFURMDCQXSPI-UHFFFAOYSA-N	-1	0	283.291	0.240	20	30		CCEDRM
Cn1c(C(=O)[O-])cc(Br)c1C=Nn1cnnc1	ZINC001318587985	909826200	/nfs/dbraw/zinc/82/62/00/909826200.db2.gz	MKQKVTKNXJALTN-UHFFFAOYSA-N	-1	0	298.100	0.960	20	30		CCEDRM
C=C(C)[C@@H](CC(=O)NCc1nc(=O)o[n-]1)OCC	ZINC001319831710	910308086	/nfs/dbraw/zinc/30/80/86/910308086.db2.gz	HJWZNEOXSMCDGY-MRVPVSSYSA-N	-1	0	255.274	0.350	20	30		CCEDRM
C=CCOC[C@@H](NCc1nccn1CC)C(=O)[O-]	ZINC001339137347	921663382	/nfs/dbraw/zinc/66/33/82/921663382.db2.gz	WHCNFCGPMIXBCN-SNVBAGLBSA-N	-1	0	253.302	0.648	20	30		CCEDRM
C=C[C@@H]1OCC[C@H]1C(=O)[N-]S(=O)(=O)c1ccc(C)nc1	ZINC001328105228	914970184	/nfs/dbraw/zinc/97/01/84/914970184.db2.gz	LHLMOJZJQHJVHR-NEPJUHHUSA-N	-1	0	296.348	0.786	20	30		CCEDRM
C=CCN(CC(=O)[O-])C(=O)NCCc1ccc(OC)nc1	ZINC001339510564	921740681	/nfs/dbraw/zinc/74/06/81/921740681.db2.gz	XSSPJAIUUBKSJG-UHFFFAOYSA-N	-1	0	293.323	0.915	20	30		CCEDRM
C=CC[C@@H](NC(=O)[C@@H](O)c1cccnc1)C(=O)[O-]	ZINC001339523985	921747788	/nfs/dbraw/zinc/74/77/88/921747788.db2.gz	NXFCVQMXJLMWOE-ZJUUUORDSA-N	-1	0	250.254	0.261	20	30		CCEDRM
C#CCN(C)c1nnc(-c2cc(=O)n(C)[n-]2)n1CC	ZINC001339576851	921764424	/nfs/dbraw/zinc/76/44/24/921764424.db2.gz	BKPFLNKFIKSWFV-UHFFFAOYSA-N	-1	0	260.301	0.474	20	30		CCEDRM
C=CC[C@@H](NC(=O)C1(OCC)CCOCC1)C(=O)[O-]	ZINC001330282273	916525334	/nfs/dbraw/zinc/52/53/34/916525334.db2.gz	ZACFNKLZLFDIJB-SNVBAGLBSA-N	-1	0	271.313	0.718	20	30		CCEDRM
C=C[C@@H](COC)NC(=O)c1ccc([N-]S(C)(=O)=O)nc1	ZINC001330459271	916641074	/nfs/dbraw/zinc/64/10/74/916641074.db2.gz	LTYKYNGQELGLJU-JTQLQIEISA-N	-1	0	299.352	0.384	20	30		CCEDRM
N#CCCN1CCN(c2cccc(C(=O)[O-])n2)CC1	ZINC001330794004	916873528	/nfs/dbraw/zinc/87/35/28/916873528.db2.gz	NGPGSFVGYZDJTG-UHFFFAOYSA-N	-1	0	260.297	0.815	20	30		CCEDRM
CC#CCCNC(=O)C(=O)NCc1ccccc1C(=O)[O-]	ZINC001331062149	917059696	/nfs/dbraw/zinc/05/96/96/917059696.db2.gz	PQWDRYAWTPBPEN-UHFFFAOYSA-N	-1	0	288.303	0.531	20	30		CCEDRM
C=CCCO[N-]C(=O)c1cn(C)c2c(cnn2C)c1=O	ZINC001331280266	917239016	/nfs/dbraw/zinc/23/90/16/917239016.db2.gz	LNLQBPVLHOWAOP-UHFFFAOYSA-N	-1	0	276.296	0.510	20	30		CCEDRM
C=CC1(S(=O)(=O)[N-]C(=O)COCc2ccncc2)CC1	ZINC001332190068	917942362	/nfs/dbraw/zinc/94/23/62/917942362.db2.gz	UPYKWOVKSXRPLG-UHFFFAOYSA-N	-1	0	296.348	0.763	20	30		CCEDRM
C=CC[C@H](NC(=O)Cc1cn(C)nc1C)C(=O)[O-]	ZINC001334187155	919409364	/nfs/dbraw/zinc/40/93/64/919409364.db2.gz	KLAOHFSJBIIGHH-JTQLQIEISA-N	-1	0	251.286	0.417	20	30		CCEDRM
C#CCCN1CCN(C(=O)C[C@@H](C)CC(=O)[O-])CC1	ZINC001334217397	919434894	/nfs/dbraw/zinc/43/48/94/919434894.db2.gz	FDUWETNEHUZNTB-GFCCVEGCSA-N	-1	0	266.341	0.655	20	30		CCEDRM
C=CCOC[C@H](NCc1ccnn1CC)C(=O)[O-]	ZINC001334778673	919759357	/nfs/dbraw/zinc/75/93/57/919759357.db2.gz	ZRKRCJVOKUKIPQ-NSHDSACASA-N	-1	0	253.302	0.648	20	30		CCEDRM
Cn1c(=O)[n-]c(N2CC[C@@H]2C(C)(C)C)c(C#N)c1=O	ZINC001336822396	921041242	/nfs/dbraw/zinc/04/12/42/921041242.db2.gz	BHBOFZBNBOQHHY-SECBINFHSA-N	-1	0	262.313	0.570	20	30		CCEDRM
CC(=O)N1CCC[C@@H]1C(=O)Nc1nc(C#N)c(C#N)[n-]1	ZINC001418236771	921949712	/nfs/dbraw/zinc/94/97/12/921949712.db2.gz	MCQFWUBJSPPBBX-SNVBAGLBSA-N	-1	0	272.268	0.102	20	30		CCEDRM
C=C(C)CCNC(=O)N[C@H]1CCCCN(CC(=O)[O-])C1=O	ZINC001341258296	922401801	/nfs/dbraw/zinc/40/18/01/922401801.db2.gz	QWUSIHVJBMWHQB-NSHDSACASA-N	-1	0	297.355	0.718	20	30		CCEDRM
COCCn1cc(C([O-])=C(C#N)C(=O)NC2CC2)cn1	ZINC001341848725	922695380	/nfs/dbraw/zinc/69/53/80/922695380.db2.gz	FGXIQHXFIWBGJF-LLVKDONJSA-N	-1	0	276.296	0.131	20	30		CCEDRM
Cn1ccnc1C([O-])=C(C#N)C(=O)CCc1ccnn1C	ZINC001342589462	923015049	/nfs/dbraw/zinc/01/50/49/923015049.db2.gz	CXMVJFMSIGWSJE-LLVKDONJSA-N	-1	0	285.307	0.678	20	30		CCEDRM
COCCCNC(=O)C(C#N)=C([O-])c1cn(C2CC2)nn1	ZINC001342632691	923034056	/nfs/dbraw/zinc/03/40/56/923034056.db2.gz	NILPYUYFBFDJDO-JTQLQIEISA-N	-1	0	291.311	0.088	20	30		CCEDRM
C=C[C@@H]1OCC[C@H]1CNC(=O)NC[C@H](CC)C(=O)[O-]	ZINC001343056406	923186665	/nfs/dbraw/zinc/18/66/65/923186665.db2.gz	SVTOYLUEXAMIAN-DCAQKATOSA-N	-1	0	270.329	0.988	20	30		CCEDRM
CCc1cc(C([O-])=C(C#N)C(=O)NC(C)C)nn1C	ZINC001343364759	923286247	/nfs/dbraw/zinc/28/62/47/923286247.db2.gz	DQDITXVNHSBCRK-SNVBAGLBSA-N	-1	0	262.313	0.830	20	30		CCEDRM
CNC(=O)C(C#N)=C([O-])c1ccnc2c1ncn2C	ZINC001343387030	923292724	/nfs/dbraw/zinc/29/27/24/923292724.db2.gz	OYPICGGLXOADNJ-QMMMGPOBSA-N	-1	0	257.253	0.037	20	30		CCEDRM
C=CCNC(=O)C(C#N)=C([O-])c1ccc2nnc(C)n2c1	ZINC001343441471	923315469	/nfs/dbraw/zinc/31/54/69/923315469.db2.gz	FAFHMIKJQMGCKD-LLVKDONJSA-N	-1	0	283.291	0.662	20	30		CCEDRM
COc1ncccc1C([O-])=C(C#N)C(=O)NC1CC1	ZINC001343510594	923357693	/nfs/dbraw/zinc/35/76/93/923357693.db2.gz	RNPMPHGFMRWEBS-JTQLQIEISA-N	-1	0	259.265	0.691	20	30		CCEDRM
CNC(=O)C(C#N)=C([O-])c1nn(C)c2c1CCCC2	ZINC001343538741	923366421	/nfs/dbraw/zinc/36/64/21/923366421.db2.gz	KZIMORJDZZCMCL-SECBINFHSA-N	-1	0	260.297	0.367	20	30		CCEDRM
Cc1cc(C#N)c(=O)[n-]c1C(=O)N[C@H](CO)c1ncc[nH]1	ZINC001420221957	923428555	/nfs/dbraw/zinc/42/85/55/923428555.db2.gz	ZFYUPUVAFGVXIC-SECBINFHSA-N	-1	0	287.279	0.154	20	30		CCEDRM
Cn1ccnc1C([O-])=C(C#N)C(=O)CO[C@H]1CCOC1	ZINC001344007528	923530256	/nfs/dbraw/zinc/53/02/56/923530256.db2.gz	ZOFZVHBEGOXGGF-UWVGGRQHSA-N	-1	0	277.280	0.117	20	30		CCEDRM
C=CCCOCC(=O)N1CC[C@H]([C@@H](F)C(=O)[O-])C1	ZINC001344536753	923629618	/nfs/dbraw/zinc/62/96/18/923629618.db2.gz	RXQHURGOOMCYKX-GXSJLCMTSA-N	-1	0	259.277	0.850	20	30		CCEDRM
C#C[C@@H](NC(=O)[C@H]1C[C@@H](C(=O)[O-])C1)[C@@H]1CCCO1	ZINC001345144788	923806980	/nfs/dbraw/zinc/80/69/80/923806980.db2.gz	IUGYASXUZVKTIJ-YTWAJWBKSA-N	-1	0	251.282	0.394	20	30		CCEDRM
C=CC[C@@H](NS(=O)(=O)c1ccc(N(C)C)nc1)C(=O)[O-]	ZINC001345781485	923977023	/nfs/dbraw/zinc/97/70/23/923977023.db2.gz	RZQDGSBSKYAZBK-SNVBAGLBSA-N	-1	0	299.352	0.455	20	30		CCEDRM
C=C(C)Cn1c(-c2cc(=O)[nH][n-]2)nnc1N(C)C1CC1	ZINC001346514779	924246369	/nfs/dbraw/zinc/24/63/69/924246369.db2.gz	HUEFENDYOGSFDU-UHFFFAOYSA-N	-1	0	274.328	0.677	20	30		CCEDRM
C=CC[C@@H](NC(=O)c1cn(CC=C)nn1)C(=O)[O-]	ZINC001349473655	924970273	/nfs/dbraw/zinc/97/02/73/924970273.db2.gz	OCPJCKWNCOURDO-MRVPVSSYSA-N	-1	0	250.258	0.223	20	30		CCEDRM
C=C(C)C[C@H](NC(=O)NCCc1cnn(C)c1)C(=O)[O-]	ZINC001353973156	925978670	/nfs/dbraw/zinc/97/86/70/925978670.db2.gz	SEZCQJPJKCCTHX-NSHDSACASA-N	-1	0	280.328	0.681	20	30		CCEDRM
C=C[C@H](C)O[N-]C(=O)[C@@H]1CC(c2cnn(C)c2)=NO1	ZINC001358353058	926680092	/nfs/dbraw/zinc/68/00/92/926680092.db2.gz	HATILUOLSJBZIW-KWQFWETISA-N	-1	0	264.285	0.535	20	30		CCEDRM
Cn1c(=O)[n-]c(SCc2ccccn2)c(C#N)c1=O	ZINC001413899396	926748337	/nfs/dbraw/zinc/74/83/37/926748337.db2.gz	DLAKILBTAQSOIM-UHFFFAOYSA-N	-1	0	274.305	0.633	20	30		CCEDRM
N#Cc1c[n-]c(=O)n(CC(=O)c2ccc3c(c2)OCO3)c1=O	ZINC001413928115	926925684	/nfs/dbraw/zinc/92/56/84/926925684.db2.gz	GCGDHIMQQPLDHO-UHFFFAOYSA-N	-1	0	299.242	0.020	20	30		CCEDRM
C=CC[C@@H](NC(=O)c1c(C)c(C)nn(C)c1=O)C(=O)[O-]	ZINC000150315646	926949199	/nfs/dbraw/zinc/94/91/99/926949199.db2.gz	BCJUSUILPRCDLX-SECBINFHSA-N	-1	0	279.296	0.156	20	30		CCEDRM
CN(C(=O)[C@@H](C#N)Cc1ccc(C#N)cc1)c1nnn[n-]1	ZINC001361668484	927237300	/nfs/dbraw/zinc/23/73/00/927237300.db2.gz	ZMMKXECYRROAPX-LLVKDONJSA-N	-1	0	281.279	0.417	20	30		CCEDRM
Cc1[nH][nH]c(=O)c1CCNC(=O)c1ccc(C#N)n1C	ZINC001362054988	927562156	/nfs/dbraw/zinc/56/21/56/927562156.db2.gz	AHOUNJORJSIWKF-SNVBAGLBSA-N	-1	0	273.296	0.139	20	30		CCEDRM
Cc1cc(C#N)c(=O)[n-]c1C(=O)NCc1ncn(C)n1	ZINC001362157116	927677458	/nfs/dbraw/zinc/67/74/58/927677458.db2.gz	VLUOQSYVOXNAFR-UHFFFAOYSA-N	-1	0	272.268	0.026	20	30		CCEDRM
CCN(CC(=O)OC)C(=O)c1[n-]c(=O)c(C#N)cc1C	ZINC001362225320	927748968	/nfs/dbraw/zinc/74/89/68/927748968.db2.gz	ZEOURQVKFGVMOY-UHFFFAOYSA-N	-1	0	277.280	0.602	20	30		CCEDRM
Cc1cc(C(=O)N(C)C[C@@H](C)c2nnn[n-]2)ncc1C#N	ZINC001362304785	927854370	/nfs/dbraw/zinc/85/43/70/927854370.db2.gz	ZCJXHOPUIPUTOV-SECBINFHSA-N	-1	0	285.311	0.651	20	30		CCEDRM
N#Cc1ccc(CNC(=O)c2n[nH]c(=O)[n-]c2=O)s1	ZINC001362788143	928491681	/nfs/dbraw/zinc/49/16/81/928491681.db2.gz	JNOANJVAOWXDCS-UHFFFAOYSA-N	-1	0	277.265	0.146	20	30		CCEDRM
CCc1coc(NC(=O)Cn2cc(C#N)c(=O)[n-]c2=O)n1	ZINC001362854620	928577223	/nfs/dbraw/zinc/57/72/23/928577223.db2.gz	ZPYDVDKNBRZBIR-UHFFFAOYSA-N	-1	0	289.251	0.010	20	30		CCEDRM
N#Cc1c[nH]c(C(=O)N2CCC[C@H](Cc3nnn[n-]3)C2)c1	ZINC001362901589	928632015	/nfs/dbraw/zinc/63/20/15/928632015.db2.gz	CDOAYWQPXVZBAW-SECBINFHSA-N	-1	0	285.311	0.494	20	30		CCEDRM
N#CC[C@H](C(=O)Nn1c(=O)[n-][nH]c1=O)c1ccccc1	ZINC001362951480	928690393	/nfs/dbraw/zinc/69/03/93/928690393.db2.gz	ZFUOMUYATYCLPV-VIFPVBQESA-N	-1	0	273.252	0.457	20	30		CCEDRM
Cc1nn(C)cc1[C@H](C)Nc1[n-]c(=O)n(C)c(=O)c1C#N	ZINC001363138137	928909051	/nfs/dbraw/zinc/90/90/51/928909051.db2.gz	RAFAVCMCTRGSRP-ZETCQYMHSA-N	-1	0	288.311	0.160	20	30		CCEDRM
Cc1cc(C#N)c(=O)[n-]c1C(=O)N(C)C[C@H]1COCCO1	ZINC001363223314	928995457	/nfs/dbraw/zinc/99/54/57/928995457.db2.gz	HFNWZXASUCFCBL-NSHDSACASA-N	-1	0	291.307	0.455	20	30		CCEDRM
COC[C@H](NC(=O)c1cc(C#N)ccc1C)c1nnn[n-]1	ZINC001363408098	929192310	/nfs/dbraw/zinc/19/23/10/929192310.db2.gz	BHNMJEUGXIMNCQ-NSHDSACASA-N	-1	0	286.295	0.497	20	30		CCEDRM
CC(C)CC[C@@H](CO)Nc1[n-]c(=O)n(C)c(=O)c1C#N	ZINC001363740539	929537540	/nfs/dbraw/zinc/53/75/40/929537540.db2.gz	CIWNNTPUKUBMIN-VIFPVBQESA-N	-1	0	280.328	0.154	20	30		CCEDRM
N#Cc1c[n-]c(=O)n(C[C@@H]2CCC[C@]3(CCOC3)O2)c1=O	ZINC001363761234	929550949	/nfs/dbraw/zinc/55/09/49/929550949.db2.gz	NDQLIMQKIVPXBT-SMDDNHRTSA-N	-1	0	291.307	0.136	20	30		CCEDRM
Cc1cc(C#N)c(=O)[n-]c1C(=O)NCCOCC(F)F	ZINC001447765260	930704014	/nfs/dbraw/zinc/70/40/14/930704014.db2.gz	WEJMVPUXAYLZJF-UHFFFAOYSA-N	-1	0	285.250	0.979	20	30		CCEDRM
N#Cc1ccc(CNC(=O)c2c[n-]ncc2=O)nc1	ZINC001450779148	931336673	/nfs/dbraw/zinc/33/66/73/931336673.db2.gz	OJCUBXUOUHVSKL-UHFFFAOYSA-N	-1	0	255.237	0.379	20	30		CCEDRM
COc1cc2c(cc1C=NNCCC(=O)[O-])OCO2	ZINC001611037672	970861470	/nfs/dbraw/zinc/86/14/70/970861470.db2.gz	UTIIMTJVDWDIPK-UHFFFAOYSA-N	-1	0	266.253	0.822	20	30		CCEDRM
N#Cc1cncc(CNC(=O)c2ccc(C(=O)[O-])nc2)c1	ZINC001601130402	970940020	/nfs/dbraw/zinc/94/00/20/970940020.db2.gz	HIZMSUBOYUHLQM-UHFFFAOYSA-N	-1	0	282.259	0.976	20	30		CCEDRM
N#CC1CN(C(=O)C2=NN(c3ccccc3)[C@@H](C(=O)[O-])C2)C1	ZINC001611291356	970977081	/nfs/dbraw/zinc/97/70/81/970977081.db2.gz	POUCHGVRMHPRBO-CYBMUJFWSA-N	-1	0	298.302	0.688	20	30		CCEDRM
C#C[C@H]1CCCCN1C(=O)C(=O)N(C)C[C@@H](C)C(=O)[O-]	ZINC001602671851	971235161	/nfs/dbraw/zinc/23/51/61/971235161.db2.gz	HCYONNXBXLQODU-MNOVXSKESA-N	-1	0	280.324	0.180	20	30		CCEDRM
C#CC[C@H](CCOC)NC(=O)[C@@H]1CC[C@H]1C(=O)[O-]	ZINC001602675401	971248627	/nfs/dbraw/zinc/24/86/27/971248627.db2.gz	URTDAGXHKMKLTB-GMTAPVOTSA-N	-1	0	253.298	0.642	20	30		CCEDRM
C#CC[C@H](CCOC)NC(=O)N[C@@H]1CC[C@H](C(=O)[O-])C1	ZINC001602675407	971248684	/nfs/dbraw/zinc/24/86/84/971248684.db2.gz	UUJDUKRCPXIGOS-QJPTWQEYSA-N	-1	0	282.340	0.967	20	30		CCEDRM
C#CCCCS(=O)(=O)N[C@@H](Cc1ccncc1)C(=O)[O-]	ZINC001602675615	971252119	/nfs/dbraw/zinc/25/21/19/971252119.db2.gz	CWLRSTIVEHGWPR-LBPRGKRZSA-N	-1	0	296.348	0.410	20	30		CCEDRM
C#CCN(C(=O)c1cc(C(=O)[O-])nn1C)C1CSC1	ZINC001602675689	971252579	/nfs/dbraw/zinc/25/25/79/971252579.db2.gz	JINBKZHCHFSJJN-UHFFFAOYSA-N	-1	0	279.321	0.309	20	30		CCEDRM
C#CCN(CC(=O)[O-])C(=O)[C@@]1([C@H]2CCCCO2)CCCO1	ZINC001602679647	971261246	/nfs/dbraw/zinc/26/12/46/971261246.db2.gz	VHTDSFZWVOUVJQ-DOMZBBRYSA-N	-1	0	295.335	0.651	20	30		CCEDRM
C#CCN(CC(=O)[O-])C(=O)CCc1csc(C)n1	ZINC001602682651	971269499	/nfs/dbraw/zinc/26/94/99/971269499.db2.gz	RUNSPKJKTHYOSF-UHFFFAOYSA-N	-1	0	266.322	0.931	20	30		CCEDRM
C#CCN(CC(=O)[O-])C(=O)[C@H]1CCc2n[nH]cc2C1	ZINC001602682800	971269766	/nfs/dbraw/zinc/26/97/66/971269766.db2.gz	UVZHXAJKKBIOKH-VIFPVBQESA-N	-1	0	261.281	0.061	20	30		CCEDRM
C#CCN(CC(=O)[O-])C(=O)NCc1ccn(C(C)C)n1	ZINC001602685968	971283965	/nfs/dbraw/zinc/28/39/65/971283965.db2.gz	LXMTYDAQHHQCBF-UHFFFAOYSA-N	-1	0	278.312	0.693	20	30		CCEDRM
C#CCN(CC(=O)[O-])C(=O)NC[C@@H]1CCOC[C@H]1C	ZINC001602686093	971285182	/nfs/dbraw/zinc/28/51/82/971285182.db2.gz	QDFAEMMWHGQFPP-MNOVXSKESA-N	-1	0	268.313	0.388	20	30		CCEDRM
C#CCN(CC(=O)[O-])c1nnnn1[C@H]1CCS[C@H]1C	ZINC001602700911	971323819	/nfs/dbraw/zinc/32/38/19/971323819.db2.gz	NQBZGSGMDYQHKA-IUCAKERBSA-N	-1	0	281.341	0.264	20	30		CCEDRM
C#CCN1CCCN(C(=O)[C@H](C(=O)[O-])C(C)(C)C)CC1	ZINC001602702925	971332794	/nfs/dbraw/zinc/33/27/94/971332794.db2.gz	YLCNNJHUBGBTKG-GFCCVEGCSA-N	-1	0	280.368	0.901	20	30		CCEDRM
C#CCN(CC(=O)[O-])c1nnc([C@H]2CC=NO2)n1CC=C	ZINC001602701072	971326237	/nfs/dbraw/zinc/32/62/37/971326237.db2.gz	USQKNEFOHHAGSP-SNVBAGLBSA-N	-1	0	289.295	0.436	20	30		CCEDRM
C=C(C)COC(=O)[C@H]1CCCN(CC(=O)[O-])C1=O	ZINC001602709910	971348008	/nfs/dbraw/zinc/34/80/08/971348008.db2.gz	LEWDFFGQKCHQIO-VIFPVBQESA-N	-1	0	255.270	0.429	20	30		CCEDRM
C=CC1CCN(C(=O)[C@H]2CCCN(CC(=O)[O-])C2=O)CC1	ZINC001602717336	971366522	/nfs/dbraw/zinc/36/65/22/971366522.db2.gz	JBWIFCURDYMYMY-GFCCVEGCSA-N	-1	0	294.351	0.734	20	30		CCEDRM
C=C[C@@H](O)c1nnc(N2CC[C@H](C(=O)[O-])C2)n1CC	ZINC001602717436	971367356	/nfs/dbraw/zinc/36/73/56/971367356.db2.gz	MOPPKBYQYJOEEQ-DTWKUNHWSA-N	-1	0	266.301	0.428	20	30		CCEDRM
C=CC[C@@H](CO)NC(=O)Nc1cccnc1C(=O)[O-]	ZINC001602718057	971372298	/nfs/dbraw/zinc/37/22/98/971372298.db2.gz	CIQGHBPGKXWBBQ-QMMMGPOBSA-N	-1	0	265.269	0.838	20	30		CCEDRM
C=CCC(C)(C)C(=O)Nc1ncn(CC(=O)[O-])n1	ZINC001602718504	971375414	/nfs/dbraw/zinc/37/54/14/971375414.db2.gz	OHKXXGDPRJUCQH-UHFFFAOYSA-N	-1	0	252.274	0.904	20	30		CCEDRM
C=CCCOCCn1nnnc1N1CCC[C@@H](C(=O)[O-])C1	ZINC001602722041	971385755	/nfs/dbraw/zinc/38/57/55/971385755.db2.gz	RNXDTZGPFLKCAQ-LLVKDONJSA-N	-1	0	295.343	0.567	20	30		CCEDRM
C=CCO[C@@H]1CCN(C(=O)[C@](C)(OC)C(=O)[O-])C1	ZINC001602723251	971395616	/nfs/dbraw/zinc/39/56/16/971395616.db2.gz	XHFRQBIATOBMKV-SKDRFNHKSA-N	-1	0	257.286	0.280	20	30		CCEDRM
C=CCn1nnnc1N1C[C@H](C)C[C@H](C(=O)[O-])C1	ZINC001602730891	971410436	/nfs/dbraw/zinc/41/04/36/971410436.db2.gz	INQNEYRHGBZKLK-BDAKNGLRSA-N	-1	0	251.290	0.406	20	30		CCEDRM
C[C@](C#N)(CC(=O)[O-])C(=O)OCc1cnsn1	ZINC001602781946	971527710	/nfs/dbraw/zinc/52/77/10/971527710.db2.gz	LUUNVYDLDOWPOF-SECBINFHSA-N	-1	0	255.255	0.586	20	30		CCEDRM
C[C@@H](C#N)COC(=O)[C@@H]1CCCN(CC(=O)[O-])C1=O	ZINC001602786328	971533594	/nfs/dbraw/zinc/53/35/94/971533594.db2.gz	LHOFVVSTGLZLPD-DTWKUNHWSA-N	-1	0	268.269	0.012	20	30		CCEDRM
N#Cc1ccc(CN2CCOC[C@H]2C(=O)[O-])c(F)c1	ZINC000088381201	949105949	/nfs/dbraw/zinc/10/59/49/949105949.db2.gz	DCPJGXIKUDKBJX-LBPRGKRZSA-N	-1	0	264.256	0.983	20	30		CCEDRM
C#CCN(CC(=O)[O-])CC(=O)NC1CCCCC1	ZINC000092484667	949159957	/nfs/dbraw/zinc/15/99/57/949159957.db2.gz	AFJPFMKESAEXDZ-UHFFFAOYSA-N	-1	0	252.314	0.455	20	30		CCEDRM
CC/C=C/CCn1c(=O)c(C#N)cn(CC(=O)[O-])c1=O	ZINC001589627364	949512035	/nfs/dbraw/zinc/51/20/35/949512035.db2.gz	QDRUDVBCHUYOCJ-ONEGZZNKSA-N	-1	0	277.280	0.323	20	30		CCEDRM
O=C([O-])c1cccnc1N=NC1COCCOC1	ZINC001595262217	949682740	/nfs/dbraw/zinc/68/27/40/949682740.db2.gz	VJEXZCOWLCJXRD-UHFFFAOYSA-N	-1	0	251.242	0.595	20	30		CCEDRM
C#CCN(CC(=O)[O-])C(=O)NCCc1cccc(OC)c1	ZINC000234864743	949839568	/nfs/dbraw/zinc/83/95/68/949839568.db2.gz	UWMWWTOHPXRRSW-UHFFFAOYSA-N	-1	0	290.319	0.967	20	30		CCEDRM
CC(C)(C)CC[C@@H](NC(=O)[C@@](C)(C#N)CC(=O)[O-])C(N)=O	ZINC001602859258	971709293	/nfs/dbraw/zinc/70/92/93/971709293.db2.gz	CPHSXZJUJINKHQ-YMTOWFKASA-N	-1	0	297.355	0.787	20	30		CCEDRM
C#CCN(CC(=O)[O-])C(=O)NC[C@H](OC)C1CC1	ZINC000378827297	951158514	/nfs/dbraw/zinc/15/85/14/951158514.db2.gz	PVWGUYAOPSFAKY-JTQLQIEISA-N	-1	0	254.286	0.141	20	30		CCEDRM
C=C(Cl)CNS(=O)(=O)c1cc(C(=O)[O-])ccn1	ZINC000383471426	971870813	/nfs/dbraw/zinc/87/08/13/971870813.db2.gz	PRLGSAAFAWWKLA-UHFFFAOYSA-N	-1	0	276.701	0.811	20	30		CCEDRM
C[C@@H]1C[C@@H](C(=O)[O-])CN(C(=O)[C@]2(C#N)CCCOC2)C1	ZINC001589268590	953388002	/nfs/dbraw/zinc/38/80/02/953388002.db2.gz	MEOSMKIYDWGNPP-GYSYKLTISA-N	-1	0	280.324	0.876	20	30		CCEDRM
CN(CC(C)(C)C#N)C(=O)C(=O)N1CCC(C(=O)[O-])CC1	ZINC001593723794	954267110	/nfs/dbraw/zinc/26/71/10/954267110.db2.gz	DLZDPSPVAAKPJR-UHFFFAOYSA-N	-1	0	295.339	0.318	20	30		CCEDRM
CN(Cc1cccc(C#N)c1)CN1C[C@@H](C(=O)[O-])CC1=O	ZINC001593761011	954491857	/nfs/dbraw/zinc/49/18/57/954491857.db2.gz	JKECLQYMUXXPNY-ZDUSSCGKSA-N	-1	0	287.319	0.881	20	30		CCEDRM
CC[C@@H](C#N)N(C)C(=O)[C@@H]1CCCN(CC(=O)[O-])C1=O	ZINC001589426954	954636604	/nfs/dbraw/zinc/63/66/04/954636604.db2.gz	ULTPQIVPJKVOBH-UWVGGRQHSA-N	-1	0	281.312	0.070	20	30		CCEDRM
COC(=O)[C@@H](CNC(=O)[C@](C)(C#N)CC(=O)[O-])CC1CC1	ZINC001593806499	954910125	/nfs/dbraw/zinc/91/01/25/954910125.db2.gz	IFRRTFUVIJJPDQ-YGRLFVJLSA-N	-1	0	296.323	0.696	20	30		CCEDRM
COC(=O)CCN(CC#N)C(=O)C1(C(=O)[O-])CC=CC1	ZINC001593835483	955176925	/nfs/dbraw/zinc/17/69/25/955176925.db2.gz	AAIYHAJSAKILIH-UHFFFAOYSA-N	-1	0	280.280	0.323	20	30		CCEDRM
CC[C@@H](CNC(=O)c1cnn(CCC#N)c1C)C(=O)[O-]	ZINC001589550972	955215529	/nfs/dbraw/zinc/21/55/29/955215529.db2.gz	QMDAPPHPLPCHQJ-JTQLQIEISA-N	-1	0	278.312	0.946	20	30		CCEDRM
C=CCN(CCOC)C(=O)c1ccc(C(=O)[O-])[nH]1	ZINC000386801776	972081866	/nfs/dbraw/zinc/08/18/66/972081866.db2.gz	MSBAKRMNWZYSCM-UHFFFAOYSA-N	-1	0	252.270	0.988	20	30		CCEDRM
Cn1c(C#N)ccc1C(=O)N1CC[C@@](C)(C(=O)[O-])C1	ZINC001594524260	955490828	/nfs/dbraw/zinc/49/08/28/955490828.db2.gz	DQNJINYFLBPTJK-CYBMUJFWSA-N	-1	0	261.281	0.834	20	30		CCEDRM
COC(=O)c1cccc(NC(=O)[C@@](C)(C#N)CC(=O)[O-])n1	ZINC001593885851	955747586	/nfs/dbraw/zinc/74/75/86/955747586.db2.gz	PZNWGOKKPWXPOK-CYBMUJFWSA-N	-1	0	291.263	0.811	20	30		CCEDRM
CO[C@@H](C(=O)[O-])C(=O)NCc1ccc(OCC#N)cc1	ZINC001593908645	955953930	/nfs/dbraw/zinc/95/39/30/955953930.db2.gz	JOKVLRFKLITOOC-LLVKDONJSA-N	-1	0	278.264	0.305	20	30		CCEDRM
Cn1nccc1[C@H](NC(=O)c1ccc(C#N)[nH]1)C(=O)[O-]	ZINC001594590502	956054274	/nfs/dbraw/zinc/05/42/74/956054274.db2.gz	QPHRHHVUGMUJLT-JTQLQIEISA-N	-1	0	273.252	0.176	20	30		CCEDRM
N#CC1(C(=O)N[C@@H]2CCCCN(CC(=O)[O-])C2=O)CCC1	ZINC001594601657	956137585	/nfs/dbraw/zinc/13/75/85/956137585.db2.gz	OKHHPXAWBACCKJ-SNVBAGLBSA-N	-1	0	293.323	0.262	20	30		CCEDRM
N#CC1(C(=O)NC[C@@H](C(=O)[O-])C2CCC2)CCOCC1	ZINC001594602692	956149248	/nfs/dbraw/zinc/14/92/48/956149248.db2.gz	YTAOJRLCVVLXRN-LLVKDONJSA-N	-1	0	280.324	0.924	20	30		CCEDRM
N#CC1(CNC(=O)c2cccn(CC(=O)[O-])c2=O)CCC1	ZINC001594603620	956157228	/nfs/dbraw/zinc/15/72/28/956157228.db2.gz	HHTDWVVMHDDLPG-UHFFFAOYSA-N	-1	0	289.291	0.357	20	30		CCEDRM
N#CC1CN(C(=O)[C@H]2CO[C@@H](CCC(=O)[O-])C2)C1	ZINC001594605649	956169495	/nfs/dbraw/zinc/16/94/95/956169495.db2.gz	IKFWTLZOCULLFS-ZJUUUORDSA-N	-1	0	252.270	0.238	20	30		CCEDRM
N#CC[C@@]1(O)CCN(C(=O)CCCCC(=O)[O-])C1	ZINC001594605718	956170256	/nfs/dbraw/zinc/17/02/56/956170256.db2.gz	HPGJZZMHCYTQRU-GFCCVEGCSA-N	-1	0	254.286	0.508	20	30		CCEDRM
N#CCC1CCN(CN2C[C@H](C(=O)[O-])CC2=O)CC1	ZINC001594605880	956173512	/nfs/dbraw/zinc/17/35/12/956173512.db2.gz	JVMWVRUSQSQSPF-LLVKDONJSA-N	-1	0	265.313	0.503	20	30		CCEDRM
N#CCCCC(=O)Nc1nc2n(c1C(=O)[O-])CCOC2	ZINC001594606659	956186415	/nfs/dbraw/zinc/18/64/15/956186415.db2.gz	YYLKJKIEHRWPHB-UHFFFAOYSA-N	-1	0	278.268	0.744	20	30		CCEDRM
N#CCCCS(=O)(=O)N1C[C@@H](C(=O)[O-])[C@H](C2CC2)C1	ZINC001594608786	956187766	/nfs/dbraw/zinc/18/77/66/956187766.db2.gz	BKUXCIFLTSXCST-WDEREUQCSA-N	-1	0	286.353	0.663	20	30		CCEDRM
N#CCCNC(=O)COC(=O)[C@@H](C(=O)[O-])C1CCCC1	ZINC001594610409	956202231	/nfs/dbraw/zinc/20/22/31/956202231.db2.gz	RADDEUASZDBCTO-LLVKDONJSA-N	-1	0	282.296	0.450	20	30		CCEDRM
N#Cc1cc(O)cc(C(=O)N2CCOC[C@H]2C(=O)[O-])c1	ZINC001594617043	956244751	/nfs/dbraw/zinc/24/47/51/956244751.db2.gz	BDSSTNGMBSCZRM-NSHDSACASA-N	-1	0	276.248	0.189	20	30		CCEDRM
N#Cc1cc(Cl)cc(OCC(=O)NCC(=O)[O-])c1	ZINC001594617190	956247357	/nfs/dbraw/zinc/24/73/57/956247357.db2.gz	ZYBYXQZMSCMCQU-UHFFFAOYSA-N	-1	0	268.656	0.791	20	30		CCEDRM
N#Cc1ccc(C(=O)NC2(C(=O)[O-])CCOCC2)o1	ZINC001594617877	956255903	/nfs/dbraw/zinc/25/59/03/956255903.db2.gz	NYBPRKLOEOLKAJ-UHFFFAOYSA-N	-1	0	264.237	0.515	20	30		CCEDRM
C[C@@](O)(CNC(=O)c1cc(F)c(C#N)c(F)c1)C(=O)[O-]	ZINC001589143948	956271996	/nfs/dbraw/zinc/27/19/96/956271996.db2.gz	HFJBYXWKAZMNAO-GFCCVEGCSA-N	-1	0	284.218	0.402	20	30		CCEDRM
N#Cc1cccc(NC(=O)N[C@]2(C(=O)[O-])CCOC2)n1	ZINC001594628240	956327374	/nfs/dbraw/zinc/32/73/74/956327374.db2.gz	FQURXWHTPBONLC-GFCCVEGCSA-N	-1	0	276.252	0.318	20	30		CCEDRM
N#Cc1ccncc1N[C@@H]1CCCCN(CC(=O)[O-])C1=O	ZINC001594631715	956344616	/nfs/dbraw/zinc/34/46/16/956344616.db2.gz	LWDWIUMIJJQGNZ-LLVKDONJSA-N	-1	0	288.307	0.831	20	30		CCEDRM
N#Cc1cn(CC(=O)[O-])c(=O)n([C@@H]2C=CCCC2)c1=O	ZINC001594632794	956354186	/nfs/dbraw/zinc/35/41/86/956354186.db2.gz	BTYGSIXXBPYDMU-SNVBAGLBSA-N	-1	0	275.264	0.247	20	30		CCEDRM
N#Cc1c[nH]nc1NC(=O)c1cccc(OCC(=O)[O-])c1	ZINC001594633566	956358996	/nfs/dbraw/zinc/35/89/96/956358996.db2.gz	WGDBVPNAZSVWGM-UHFFFAOYSA-N	-1	0	286.247	0.997	20	30		CCEDRM
CO[C@@H]1CC[C@H]1N(C)C(=O)[C@@](C)(C#N)CC(=O)[O-]	ZINC001593949840	956366460	/nfs/dbraw/zinc/36/64/60/956366460.db2.gz	SPOOMNPKGYZQSP-KBVBSXBZSA-N	-1	0	254.286	0.627	20	30		CCEDRM
COCC#CC(=O)NC[C@@H]1CCC2(CC(C(=O)[O-])C2)O1	ZINC001593951806	956396490	/nfs/dbraw/zinc/39/64/90/956396490.db2.gz	RWWOCNCVCOLBSL-CVZZAPKMSA-N	-1	0	281.308	0.165	20	30		CCEDRM
COC[C@H](NC(=O)[C@@](C)(C#N)CC(=O)[O-])[C@@H]1CCCO1	ZINC001593957765	956451942	/nfs/dbraw/zinc/45/19/42/956451942.db2.gz	YBHZAJRKGRFNOJ-OUJBWJOFSA-N	-1	0	284.312	0.301	20	30		CCEDRM
COCC[C@@](C)(C#N)NC(=O)c1cc(C(=O)[O-])nn1C	ZINC001593989870	956826645	/nfs/dbraw/zinc/82/66/45/956826645.db2.gz	ISRIPMHKEJJFGL-LBPRGKRZSA-N	-1	0	280.284	0.167	20	30		CCEDRM
C[C@H](CN(C)C(=O)NCc1ccc(C#N)cn1)C(=O)[O-]	ZINC001603150225	972248778	/nfs/dbraw/zinc/24/87/78/972248778.db2.gz	MFLQBEGMTKVNDU-SECBINFHSA-N	-1	0	276.296	0.815	20	30		CCEDRM
C#CCNS(=O)(=O)c1ccc(OCCC(=O)[O-])cc1	ZINC000037238919	957266549	/nfs/dbraw/zinc/26/65/49/957266549.db2.gz	PBKXCUJVUBQTNW-UHFFFAOYSA-N	-1	0	283.305	0.452	20	30		CCEDRM
N#CCCN(Cc1ccco1)C(=O)COCC(=O)[O-]	ZINC000041063569	957383863	/nfs/dbraw/zinc/38/38/63/957383863.db2.gz	YUPRSIQLPRMDMJ-UHFFFAOYSA-N	-1	0	266.253	0.623	20	30		CCEDRM
CON(C(=O)c1cc(C#N)oc1C)[C@H](C)C(=O)[O-]	ZINC001594033452	957783597	/nfs/dbraw/zinc/78/35/97/957783597.db2.gz	FLIOBJKTVBDLPX-ZCFIWIBFSA-N	-1	0	252.226	0.936	20	30		CCEDRM
C#CC1(F)CN(C(=O)NCC2(C(=O)[O-])CCC2)C1	ZINC001588385824	957972742	/nfs/dbraw/zinc/97/27/42/957972742.db2.gz	JUZROWUZQVWWNE-UHFFFAOYSA-N	-1	0	254.261	0.608	20	30		CCEDRM
C#C[C@H](NC(=O)[C@H]1CC(C(=O)[O-])=NO1)c1ccc(F)cc1	ZINC001588387893	957990352	/nfs/dbraw/zinc/99/03/52/957990352.db2.gz	MVRDFQKOHGPQDV-CMPLNLGQSA-N	-1	0	290.250	0.846	20	30		CCEDRM
C#CC[C@@H](CO)NC(=O)NCc1ccccc1C(=O)[O-]	ZINC001588389108	958004830	/nfs/dbraw/zinc/00/48/30/958004830.db2.gz	NDGZYEOKHNCYJZ-NSHDSACASA-N	-1	0	276.292	0.568	20	30		CCEDRM
C#CCCCC(=O)N1CC[C@@](COC)(C(=O)[O-])C1	ZINC001588391121	958018567	/nfs/dbraw/zinc/01/85/67/958018567.db2.gz	AZBUWCUVLLIXKJ-CYBMUJFWSA-N	-1	0	253.298	0.740	20	30		CCEDRM
C#CC[C@H]1CCN(C(=O)[C@@H]2CCCN(CC(=O)[O-])C2=O)C1	ZINC001588391199	958020867	/nfs/dbraw/zinc/02/08/67/958020867.db2.gz	COWRIVWBWOYNKA-NWDGAFQWSA-N	-1	0	292.335	0.181	20	30		CCEDRM
C#CCCOc1ccc(C(=O)NC[C@](C)(O)C(=O)[O-])cc1	ZINC001588395498	958041552	/nfs/dbraw/zinc/04/15/52/958041552.db2.gz	GYQXVKZUZQPODN-HNNXBMFYSA-N	-1	0	291.303	0.654	20	30		CCEDRM
C#CCN(CC(=O)[O-])C(=O)[C@@H](O)c1cccc(OC)c1	ZINC001588397212	958052734	/nfs/dbraw/zinc/05/27/34/958052734.db2.gz	ADFQQDIJLAMPRA-ZDUSSCGKSA-N	-1	0	277.276	0.275	20	30		CCEDRM
C#CCN(CC(=O)[O-])C(=O)[C@@H](C(=O)OC(C)(C)C)C1CC1	ZINC001588397489	958057920	/nfs/dbraw/zinc/05/79/20/958057920.db2.gz	JWTWAYIYKOKQRB-LBPRGKRZSA-N	-1	0	295.335	0.901	20	30		CCEDRM
C#CCN(CC(=O)[O-])C(=O)[C@H](C)N(C)CC(F)(F)F	ZINC001588397441	958057995	/nfs/dbraw/zinc/05/79/95/958057995.db2.gz	IIKKKPXVCSOMFW-QMMMGPOBSA-N	-1	0	280.246	0.415	20	30		CCEDRM
C#CCN(CC(=O)[O-])C(=O)[C@H]1CCCN1CC(F)(F)F	ZINC001588399263	958071398	/nfs/dbraw/zinc/07/13/98/958071398.db2.gz	IHYPVAPLGLFCSG-SECBINFHSA-N	-1	0	292.257	0.560	20	30		CCEDRM
C#CCN(CC(=O)[O-])C(=O)[C@H]1COc2cc(F)ccc2C1	ZINC001588399712	958075707	/nfs/dbraw/zinc/07/57/07/958075707.db2.gz	NYMCAHPHMRNHCB-LLVKDONJSA-N	-1	0	291.278	0.923	20	30		CCEDRM
C[C@@H](Oc1ccccc1C#N)C(=O)NC[C@](C)(O)C(=O)[O-]	ZINC000090275368	958107171	/nfs/dbraw/zinc/10/71/71/958107171.db2.gz	IVMPGUSZFDJZJG-OTYXRUKQSA-N	-1	0	292.291	0.277	20	30		CCEDRM
C#CCN(CC(=O)[O-])C(=O)NC[C@@H](c1ccco1)N(C)C	ZINC001588408524	958111480	/nfs/dbraw/zinc/11/14/80/958111480.db2.gz	QSVCLRDUTDBGRE-NSHDSACASA-N	-1	0	293.323	0.612	20	30		CCEDRM
C#CCN(CC(=O)[O-])C(=O)NC[C@@H](C)CCOC	ZINC001588409157	958124122	/nfs/dbraw/zinc/12/41/22/958124122.db2.gz	COBYVBXUHPXNLE-JTQLQIEISA-N	-1	0	256.302	0.388	20	30		CCEDRM
C#CCN(CC(=O)[O-])C(=O)N[C@]1(C)CC(C)(C)OC1=O	ZINC001588409150	958125022	/nfs/dbraw/zinc/12/50/22/958125022.db2.gz	CJNLHZTYXNKPLC-CYBMUJFWSA-N	-1	0	282.296	0.200	20	30		CCEDRM
C#CCN(CC(=O)[O-])C(=O)N[C@@H]1CCOC2(CCC2)C1	ZINC001588409357	958127332	/nfs/dbraw/zinc/12/73/32/958127332.db2.gz	GDDRQORDWJITLG-LLVKDONJSA-N	-1	0	280.324	0.818	20	30		CCEDRM
C#CCN(CC(=O)[O-])C(=O)N[C@H]1C[N@H+](C2CC2)C[C@H]1C	ZINC001588410138	958135205	/nfs/dbraw/zinc/13/52/05/958135205.db2.gz	PLEULUOQXTTYFA-PWSUYJOCSA-N	-1	0	279.340	0.199	20	30		CCEDRM
C#CCN(CC(=O)[O-])C(=O)c1cc(C)c(CC)[nH]c1=O	ZINC001588417391	958172873	/nfs/dbraw/zinc/17/28/73/958172873.db2.gz	LUDOSRLJBICLLM-UHFFFAOYSA-N	-1	0	276.292	0.818	20	30		CCEDRM
C#CCN(CC(=O)[O-])C(=O)c1c(C)nn(C)c1Cl	ZINC001588417573	958176148	/nfs/dbraw/zinc/17/61/48/958176148.db2.gz	WVVAVWQJOAVCKP-UHFFFAOYSA-N	-1	0	269.688	0.542	20	30		CCEDRM
C#CCN(CC(=O)[O-])C(=O)c1cn2c(n1)CC[C@@H](C)C2	ZINC001588418763	958184804	/nfs/dbraw/zinc/18/48/04/958184804.db2.gz	RSDBJLLJHINJKI-SNVBAGLBSA-N	-1	0	275.308	0.625	20	30		CCEDRM
C#CCN(CC(=O)[O-])C(=O)c1ccc2c(c1)CCN2C	ZINC001588418859	958186306	/nfs/dbraw/zinc/18/63/06/958186306.db2.gz	HHJRQLFVSNRWQJ-UHFFFAOYSA-N	-1	0	272.304	0.839	20	30		CCEDRM
C#CCN(CC(=O)[O-])C(=O)c1cnn(-c2ccccn2)c1N	ZINC001588418992	958189559	/nfs/dbraw/zinc/18/95/59/958189559.db2.gz	ZWWBYODEGWJNLK-UHFFFAOYSA-N	-1	0	299.290	0.010	20	30		CCEDRM
C#CCN(CC(=O)[O-])[C@H]1CCC2(C[C@H]1F)OCCO2	ZINC001588419924	958196923	/nfs/dbraw/zinc/19/69/23/958196923.db2.gz	IBEAACVXKFJSQU-MNOVXSKESA-N	-1	0	271.288	0.640	20	30		CCEDRM
C#CCN(CC(=O)[O-])C[C@@H]1CCCC[C@@H]1C(=O)OC	ZINC001588423989	958211488	/nfs/dbraw/zinc/21/14/88/958211488.db2.gz	IOCGTELIFFHKSY-RYUDHWBXSA-N	-1	0	267.325	0.986	20	30		CCEDRM
C#CCN(CC(=O)[O-])S(=O)(=O)c1ccc(C#C)cc1	ZINC001588426650	958231094	/nfs/dbraw/zinc/23/10/94/958231094.db2.gz	VGUONXLOPKZSGI-UHFFFAOYSA-N	-1	0	277.301	0.376	20	30		CCEDRM
C#CCN(CC(=O)[O-])S(=O)(=O)c1cccc(CC#N)c1	ZINC001588426699	958232884	/nfs/dbraw/zinc/23/28/84/958232884.db2.gz	YZQJUABTKIOJFP-UHFFFAOYSA-N	-1	0	292.316	0.461	20	30		CCEDRM
C#CCN(CC(=O)[O-])c1nnc([C@H]2C[C@@H]2C#N)n1CC=C	ZINC001588426870	958235743	/nfs/dbraw/zinc/23/57/43/958235743.db2.gz	FHSABXVYBXWRPF-MNOVXSKESA-N	-1	0	285.307	0.615	20	30		CCEDRM
C#CCN(CC(=O)OC(C)(C)C)C(=O)[C@H](C(=O)[O-])C1CC1	ZINC001588426918	958236780	/nfs/dbraw/zinc/23/67/80/958236780.db2.gz	GWKWYFPGUVJJRH-GFCCVEGCSA-N	-1	0	295.335	0.901	20	30		CCEDRM
C#CCNC(=O)[C@H](C)OC(=O)[C@H](C(=O)[O-])C(C)(C)C	ZINC001588431336	958267814	/nfs/dbraw/zinc/26/78/14/958267814.db2.gz	WJIRZTLUSOYRCV-IUCAKERBSA-N	-1	0	269.297	0.414	20	30		CCEDRM
C#CCNC(=O)[C@H](C)OC(=O)[C@@H](C(=O)[O-])C(C)(C)C	ZINC001588431333	958268446	/nfs/dbraw/zinc/26/84/46/958268446.db2.gz	WJIRZTLUSOYRCV-DTWKUNHWSA-N	-1	0	269.297	0.414	20	30		CCEDRM
C#CCN1CCC[C@@H](NC(=O)NC[C@H](C)C(=O)[O-])C1	ZINC001588431533	958271358	/nfs/dbraw/zinc/27/13/58/958271358.db2.gz	ZWEBMBWKVFQOCH-WDEREUQCSA-N	-1	0	267.329	0.104	20	30		CCEDRM
C#C[C@H]1CC[C@H](NC(=O)C(=O)N(C)C[C@H](C)C(=O)[O-])CC1	ZINC001588432869	958289858	/nfs/dbraw/zinc/28/98/58/958289858.db2.gz	GEBLNEFBNABWTO-SRVKXCTJSA-N	-1	0	294.351	0.474	20	30		CCEDRM
C#C[C@H]1CC[C@H](NC(=O)C(=O)N(C)CCC(=O)[O-])CC1	ZINC001588433853	958300048	/nfs/dbraw/zinc/30/00/48/958300048.db2.gz	WMYOZIYVILRMPH-XYPYZODXSA-N	-1	0	280.324	0.228	20	30		CCEDRM
C=C(C)C[C@@H](NC(C)=O)C(=O)NC[C@H](C)C(=O)[O-]	ZINC001588442692	958347141	/nfs/dbraw/zinc/34/71/41/958347141.db2.gz	VFXNNIVCPLMVCP-WCBMZHEXSA-N	-1	0	256.302	0.294	20	30		CCEDRM
C=C[C@H](COC)NC(=O)C1(C(=O)[O-])CCOCC1	ZINC001588450786	958399706	/nfs/dbraw/zinc/39/97/06/958399706.db2.gz	BTTIGYNTVLZNDK-SECBINFHSA-N	-1	0	257.286	0.185	20	30		CCEDRM
C=CC[C@@H](CO)CNC(=O)c1cc(C(=O)[O-])nn1C	ZINC001588452891	958428208	/nfs/dbraw/zinc/42/82/08/958428208.db2.gz	LRNHVGVOKKTXKP-MRVPVSSYSA-N	-1	0	267.285	0.033	20	30		CCEDRM
C=CCCCCNC(=O)[C@@H]1CCCN(CC(=O)[O-])C1=O	ZINC001588458943	958468617	/nfs/dbraw/zinc/46/86/17/958468617.db2.gz	XOYMVTMNRHIHJW-NSHDSACASA-N	-1	0	282.340	0.782	20	30		CCEDRM
C=CCCONC(=O)[C@H]1CO[C@H](CCC(=O)[O-])C1	ZINC001588460385	958474951	/nfs/dbraw/zinc/47/49/51/958474951.db2.gz	DBKFFOMJVUQPDH-NXEZZACHSA-N	-1	0	257.286	0.880	20	30		CCEDRM
C=CCCOCCNC(=O)C1(CC(=O)[O-])CCOCC1	ZINC001588460688	958477482	/nfs/dbraw/zinc/47/74/82/958477482.db2.gz	SICTYORAXJDPDW-UHFFFAOYSA-N	-1	0	285.340	0.967	20	30		CCEDRM
C=CCN(C)C(=O)C(=O)NCc1ccccc1C(=O)[O-]	ZINC001588463258	958483443	/nfs/dbraw/zinc/48/34/43/958483443.db2.gz	IXKTZEWZGQOIED-UHFFFAOYSA-N	-1	0	276.292	0.645	20	30		CCEDRM
C=CCNC(=S)N1CC[C@](COC)(C(=O)[O-])C1	ZINC001588465344	958502166	/nfs/dbraw/zinc/50/21/66/958502166.db2.gz	DIYZTYKPLCQTKR-NSHDSACASA-N	-1	0	258.343	0.470	20	30		CCEDRM
C=CCn1c(C[C@H](C)O)nnc1N1CC[C@](C)(C(=O)[O-])C1	ZINC001588472119	958541027	/nfs/dbraw/zinc/54/10/27/958541027.db2.gz	JPOJEJRGUOHADP-HZMBPMFUSA-N	-1	0	294.355	0.688	20	30		CCEDRM
C=CCn1cc(C(=O)Nc2cc(C(=O)[O-])n[nH]2)nn1	ZINC001588474428	958557102	/nfs/dbraw/zinc/55/71/02/958557102.db2.gz	JHPNYJNRLUZMTH-UHFFFAOYSA-N	-1	0	262.229	0.138	20	30		CCEDRM
C[C@@](C#N)(CC(=O)[O-])C(=O)N1C[C@@H]2CCC[C@]2(C(N)=O)C1	ZINC001573359530	958585394	/nfs/dbraw/zinc/58/53/94/958585394.db2.gz	BOFRRYSSQWMWBJ-HERUPUMHSA-N	-1	0	293.323	0.105	20	30		CCEDRM
C[C@@](C#N)(CC(=O)[O-])C(=O)N1CCCn2nncc2C1	ZINC001573359762	958587313	/nfs/dbraw/zinc/58/73/13/958587313.db2.gz	GWBMMKYMMXMVCO-LBPRGKRZSA-N	-1	0	277.284	0.015	20	30		CCEDRM
CC(=NOCCOC(C)C)c1cn(CC(=O)[O-])nn1	ZINC001588485743	958605378	/nfs/dbraw/zinc/60/53/78/958605378.db2.gz	IDPDRHIPIIDMCD-UHFFFAOYSA-N	-1	0	270.289	0.528	20	30		CCEDRM
CCN(CCC#N)S(=O)(=O)c1scnc1C(=O)[O-]	ZINC000134689926	958852306	/nfs/dbraw/zinc/85/23/06/958852306.db2.gz	NCTFZCBCOHRNSQ-UHFFFAOYSA-N	-1	0	289.338	0.766	20	30		CCEDRM
C[C@@](C#N)(CC(=O)[O-])C(=O)N1C[C@@H]2CC[C@H](O)C[C@@H]2C1	ZINC001588537993	958937196	/nfs/dbraw/zinc/93/71/96/958937196.db2.gz	BJUQZLFZLBBCJR-MIJXAVMKSA-N	-1	0	280.324	0.610	20	30		CCEDRM
C[C@@](C#N)(CC(=O)[O-])C(=O)N1CCCc2n[nH]cc21	ZINC001588538503	958942754	/nfs/dbraw/zinc/94/27/54/958942754.db2.gz	JCQWWOIEYJANFO-LBPRGKRZSA-N	-1	0	262.269	0.693	20	30		CCEDRM
C[C@@H](C#N)C(=O)N1CCC(N2C[C@@H](C(=O)[O-])CC2=O)CC1	ZINC001588543219	958978498	/nfs/dbraw/zinc/97/84/98/958978498.db2.gz	JFSYIMWSGQWCLB-UWVGGRQHSA-N	-1	0	293.323	0.070	20	30		CCEDRM
C[C@H](C(=O)N1CCC[C@]1(C)C(=O)[O-])n1cnc(C#N)n1	ZINC001588546997	959001236	/nfs/dbraw/zinc/00/12/36/959001236.db2.gz	FBDHFBQYFDVZIG-PRHODGIISA-N	-1	0	277.284	0.176	20	30		CCEDRM
C#CC[C@H](NC(=O)c1cnn(C)c1-n1cccc1)C(=O)[O-]	ZINC000149851121	959029462	/nfs/dbraw/zinc/02/94/62/959029462.db2.gz	MPNJROBFHZQEBQ-NSHDSACASA-N	-1	0	286.291	0.417	20	30		CCEDRM
C#CC[C@@H](NC(=O)CNC(=O)c1cccc(F)c1)C(=O)[O-]	ZINC000149959964	959031771	/nfs/dbraw/zinc/03/17/71/959031771.db2.gz	BMTFILLSEJKQIN-LLVKDONJSA-N	-1	0	292.266	0.148	20	30		CCEDRM
CC(C)C[C@H](C)Cn1c(=O)c(C#N)cn(CC(=O)[O-])c1=O	ZINC001573509407	959080497	/nfs/dbraw/zinc/08/04/97/959080497.db2.gz	HFNQMEOLINTAJM-JTQLQIEISA-N	-1	0	293.323	0.648	20	30		CCEDRM
N#CCSCC(=O)NCc1ccc(C(=O)[O-])nc1	ZINC000160490313	959148098	/nfs/dbraw/zinc/14/80/98/959148098.db2.gz	RHGJOIIMISZXAT-UHFFFAOYSA-N	-1	0	265.294	0.653	20	30		CCEDRM
CC(C)[C@H](C#N)N1CCN(C(=O)[C@H](C)C(=O)[O-])CC1	ZINC001588566098	959148746	/nfs/dbraw/zinc/14/87/46/959148746.db2.gz	TVWGTEYLNKFYKO-QWRGUYRKSA-N	-1	0	267.329	0.399	20	30		CCEDRM
C#CC[C@@H](NS(=O)(=O)c1ccc(F)c(F)c1)C(=O)[O-]	ZINC000161251291	959177805	/nfs/dbraw/zinc/17/78/05/959177805.db2.gz	FLBGHXGFENDDRA-SNVBAGLBSA-N	-1	0	289.259	0.720	20	30		CCEDRM
Cc1cncc(CCNC(=O)[C@](C)(C#N)CC(=O)[O-])n1	ZINC001594433828	959205301	/nfs/dbraw/zinc/20/53/01/959205301.db2.gz	UTVOJWGLXNURJX-ZDUSSCGKSA-N	-1	0	276.296	0.448	20	30		CCEDRM
C[C@H](C(=O)[O-])C(=O)OCC(=O)N[C@](C)(C#N)C1CC1	ZINC001588579858	959242952	/nfs/dbraw/zinc/24/29/52/959242952.db2.gz	FSMNUMMTLOHBNN-JMCQJSRRSA-N	-1	0	268.269	0.059	20	30		CCEDRM
CC(C)(C#N)CC(=O)O[C@@H]1CCN(CC(=O)[O-])C1=O	ZINC001588606507	959479181	/nfs/dbraw/zinc/47/91/81/959479181.db2.gz	HLINVPUNWUWEHB-MRVPVSSYSA-N	-1	0	268.269	0.155	20	30		CCEDRM
CC(C)(C)[C@H](C(=O)[O-])C(=O)N1CCN(C2CC2)[C@H](C#N)C1	ZINC001588632626	959624048	/nfs/dbraw/zinc/62/40/48/959624048.db2.gz	WONYIAMHHHNNPT-NEPJUHHUSA-N	-1	0	293.367	0.932	20	30		CCEDRM
C[C@](C#N)(CC(=O)[O-])C(=O)N1CCO[C@@](C)(C#N)C1	ZINC001573643831	959628297	/nfs/dbraw/zinc/62/82/97/959628297.db2.gz	SMQNQLHYCDRIMN-NEPJUHHUSA-N	-1	0	265.269	0.132	20	30		CCEDRM
C[C@@H](OC(=O)C1(CC(=O)[O-])CCC1)C(=O)N(C)CCC#N	ZINC001603273056	972488358	/nfs/dbraw/zinc/48/83/58/972488358.db2.gz	XVWKREBXQGAWES-SNVBAGLBSA-N	-1	0	296.323	0.935	20	30		CCEDRM
CC(C)N(CCC(=O)[O-])S(=O)(=O)c1cccnc1C#N	ZINC000232637049	960288708	/nfs/dbraw/zinc/28/87/08/960288708.db2.gz	AHDFNVVVRCPMEX-UHFFFAOYSA-N	-1	0	297.336	0.827	20	30		CCEDRM
COC(=O)c1cc(C(=O)[O-])n(Cc2cc(C#N)ccn2)n1	ZINC001571029833	960469768	/nfs/dbraw/zinc/46/97/68/960469768.db2.gz	ILQKNQRDQXDJPR-UHFFFAOYSA-N	-1	0	286.247	0.683	20	30		CCEDRM
C[C@@H](CC#N)N(C)S(=O)(=O)N[C@H]1CC[C@@H](C(=O)[O-])C1	ZINC001571036712	960543960	/nfs/dbraw/zinc/54/39/60/960543960.db2.gz	ZRZYUZGKNCIBAG-AEJSXWLSSA-N	-1	0	289.357	0.308	20	30		CCEDRM
N#Cc1ncccc1S(=O)(=O)N[C@@H](C(=O)[O-])C1CC1	ZINC000236436858	960599856	/nfs/dbraw/zinc/59/98/56/960599856.db2.gz	JRLPIHHANIRRIL-SNVBAGLBSA-N	-1	0	281.293	0.095	20	30		CCEDRM
CC[C@](C)(C#N)C(=O)N1C[C@H]2COC[C@@]2(C(=O)[O-])C1	ZINC001573767624	960628927	/nfs/dbraw/zinc/62/89/27/960628927.db2.gz	DWNYOEKYSHRGQK-BIMULSAOSA-N	-1	0	266.297	0.486	20	30		CCEDRM
Cc1cc(NC(=O)c2cc(C(=O)[O-])nn2C)ncc1C#N	ZINC001574341583	960942792	/nfs/dbraw/zinc/94/27/92/960942792.db2.gz	ZWFAAFQKIDXUPS-UHFFFAOYSA-N	-1	0	285.263	0.946	20	30		CCEDRM
CCN(CCC#N)S(=O)(=O)N[C@H]1CC[C@@H](C(=O)[O-])C1	ZINC001573879479	961266223	/nfs/dbraw/zinc/26/62/23/961266223.db2.gz	FLJDZQMCBAFZLI-ZJUUUORDSA-N	-1	0	289.357	0.310	20	30		CCEDRM
Cc1[nH]nc(NC(=O)[C@@H]2CO[C@@H](CCC(=O)[O-])C2)c1C#N	ZINC001574416193	961317312	/nfs/dbraw/zinc/31/73/12/961317312.db2.gz	UZWRTUWAGXQBHE-IUCAKERBSA-N	-1	0	292.295	0.798	20	30		CCEDRM
CC(C)(NC(=O)CNC(=O)c1ccc(C#N)cc1)C(=O)[O-]	ZINC001588786512	961346850	/nfs/dbraw/zinc/34/68/50/961346850.db2.gz	CCUCNVZHNVQJSP-UHFFFAOYSA-N	-1	0	289.291	0.267	20	30		CCEDRM
Cc1ncc(CNC(=O)[C@](C)(C#N)CC(=O)[O-])o1	ZINC001574426788	961367245	/nfs/dbraw/zinc/36/72/45/961367245.db2.gz	LEGZTIRIIUCLCM-NSHDSACASA-N	-1	0	251.242	0.604	20	30		CCEDRM
Cc1nccnc1[C@H](C)NC(=O)[C@@](C)(C#N)CC(=O)[O-]	ZINC001574429712	961387787	/nfs/dbraw/zinc/38/77/87/961387787.db2.gz	YCPUAZBZZZRWPF-TVQRCGJNSA-N	-1	0	276.296	0.967	20	30		CCEDRM
CCO[C@@]1(C)C[C@H]1NC(=O)[C@](C)(C#N)CC(=O)[O-]	ZINC001573918990	961516716	/nfs/dbraw/zinc/51/67/16/961516716.db2.gz	VGWAKBHIJVUETQ-ZHAHWJHGSA-N	-1	0	254.286	0.675	20	30		CCEDRM
N#Cc1ccc(S(=O)(=O)N2CCCC[C@H]2C(=O)[O-])nc1	ZINC001574488657	961699456	/nfs/dbraw/zinc/69/94/56/961699456.db2.gz	DLEIGBOZVIOLSU-JTQLQIEISA-N	-1	0	295.320	0.581	20	30		CCEDRM
N#Cc1ccc(CNC(=O)[C@@H]2CC[C@H]2C(=O)[O-])nc1	ZINC001574489119	961702538	/nfs/dbraw/zinc/70/25/38/961702538.db2.gz	YXWURABEZPOWNP-GHMZBOCLSA-N	-1	0	259.265	0.680	20	30		CCEDRM
N#Cc1ccc2c(c1)CC[C@@H]2NC(=O)[C@@H]1CC(C(=O)[O-])=NO1	ZINC001574489763	961707059	/nfs/dbraw/zinc/70/70/59/961707059.db2.gz	OKRQSZKBMWWOBP-AAEUAGOBSA-N	-1	0	299.286	0.891	20	30		CCEDRM
N#Cc1cncc(CNC(=O)c2cc(C(=O)[O-])n[nH]2)c1	ZINC001574493023	961716716	/nfs/dbraw/zinc/71/67/16/961716716.db2.gz	HASAPITUGZRLAQ-UHFFFAOYSA-N	-1	0	271.236	0.305	20	30		CCEDRM
COC(=O)C1(C#N)CCN(C(=O)CCC(=O)[O-])CC1	ZINC001574046504	962113168	/nfs/dbraw/zinc/11/31/68/962113168.db2.gz	LMMXYCUKXWMXCC-UHFFFAOYSA-N	-1	0	268.269	0.157	20	30		CCEDRM
COC[C@@]1(C(=O)[O-])CCN(C(=O)[C@@H]2C[C@@H]2C#N)C1	ZINC001574131742	962540753	/nfs/dbraw/zinc/54/07/53/962540753.db2.gz	RTCBCIXRPWEETA-KBVBSXBZSA-N	-1	0	252.270	0.096	20	30		CCEDRM
COC[C@]1(C(=O)[O-])CN(Cc2cc(C#N)ccn2)CCO1	ZINC001574147261	962629187	/nfs/dbraw/zinc/62/91/87/962629187.db2.gz	TVXAEZDVCFWJHK-AWEZNQCLSA-N	-1	0	291.307	0.255	20	30		CCEDRM
C#C[C@H](CO)NS(=O)(=O)c1ccc(NC(=O)[O-])c(C)c1	ZINC001573301639	962631890	/nfs/dbraw/zinc/63/18/90/962631890.db2.gz	BUJHJCIJOFZQMJ-SECBINFHSA-N	-1	0	298.320	0.357	20	30		CCEDRM
C#CC[C@@H](NC(=O)[C@@H](C)Cc1c(C)n[nH]c1C)C(=O)[O-]	ZINC001573301770	962636047	/nfs/dbraw/zinc/63/60/47/962636047.db2.gz	FFHUTGQKOCEISA-QPUJVOFHSA-N	-1	0	277.324	0.798	20	30		CCEDRM
C#C[C@@H](NC(=O)N[C@H]1C[C@@H]2C[C@]2(C(=O)[O-])C1)[C@@H]1CCCO1	ZINC001573302548	962655372	/nfs/dbraw/zinc/65/53/72/962655372.db2.gz	NYOSGTZUAYVFDV-TVEHIPJCSA-N	-1	0	292.335	0.720	20	30		CCEDRM
C#C[C@@H]1COCCN1Cc1noc(CCCC(=O)[O-])n1	ZINC001573303121	962669906	/nfs/dbraw/zinc/66/99/06/962669906.db2.gz	VJHCJYSHWVMUSD-SNVBAGLBSA-N	-1	0	279.296	0.311	20	30		CCEDRM
C#CCCCCC(=O)N(C)CCNC(=O)[C@@H]1C[C@@H]1C(=O)[O-]	ZINC001573303332	962675133	/nfs/dbraw/zinc/67/51/33/962675133.db2.gz	NGUQHOPUAVVAQB-NEPJUHHUSA-N	-1	0	294.351	0.475	20	30		CCEDRM
C=C(CCC(=O)[O-])C(=O)N(C)C[C@H]1COCCO1	ZINC001573325979	962801195	/nfs/dbraw/zinc/80/11/95/962801195.db2.gz	PZSFTFGWEQEVGA-JTQLQIEISA-N	-1	0	257.286	0.281	20	30		CCEDRM
C=C(CCC(=O)[O-])C(=O)N1CC[C@H](O)C(F)(F)C1	ZINC001573332040	962822840	/nfs/dbraw/zinc/82/28/40/962822840.db2.gz	HDFDPOAPZHGUBO-QMMMGPOBSA-N	-1	0	263.240	0.636	20	30		CCEDRM
C=C(CCC(=O)[O-])C(=O)N[C@@H]1CCc2cncn2C1	ZINC001573332472	962835088	/nfs/dbraw/zinc/83/50/88/962835088.db2.gz	JZPHVNJVVZCJNN-SNVBAGLBSA-N	-1	0	263.297	0.735	20	30		CCEDRM
C=C(CCC(=O)[O-])C(=O)N1[C@H](C)CC[C@@H](C(N)=O)[C@H]1C	ZINC001573332565	962836956	/nfs/dbraw/zinc/83/69/56/962836956.db2.gz	OYNJQRNTPPYFRF-GMTAPVOTSA-N	-1	0	282.340	0.908	20	30		CCEDRM
C[C@H](CC(=O)[O-])NC(=O)CNC(=O)c1ccc(C#N)cc1	ZINC001588995283	962843102	/nfs/dbraw/zinc/84/31/02/962843102.db2.gz	YRNNNEYXTDUBCE-SECBINFHSA-N	-1	0	289.291	0.267	20	30		CCEDRM
C=C(CCC(=O)[O-])C(=O)NCc1noc2c1COCC2	ZINC001573336310	962858468	/nfs/dbraw/zinc/85/84/68/962858468.db2.gz	AVOKNANVRAAUPA-UHFFFAOYSA-N	-1	0	280.280	0.785	20	30		CCEDRM
C=C(Cl)CN1C[C@H](NC(=O)CNC(=O)[O-])CC[C@@H]1C	ZINC001573338597	962877349	/nfs/dbraw/zinc/87/73/49/962877349.db2.gz	FCQGGNQWIAYLQT-VHSXEESVSA-N	-1	0	289.763	0.976	20	30		CCEDRM
C=C(Cl)CN1C[C@H]2CC[C@@H](C1)N2C(=O)CNC(=O)[O-]	ZINC001573338797	962881701	/nfs/dbraw/zinc/88/17/01/962881701.db2.gz	JDRTUVFSHVBIJF-AOOOYVTPSA-N	-1	0	287.747	0.682	20	30		CCEDRM
C=C(Cl)CN1CCC[C@H](NC(=O)CNC(=O)[O-])C1	ZINC001573338943	962883550	/nfs/dbraw/zinc/88/35/50/962883550.db2.gz	KZMASROPKPGSQW-VIFPVBQESA-N	-1	0	275.736	0.587	20	30		CCEDRM
C=C[C@@](C)(O)CC(=O)N[C@](C)(COC)CC(=O)[O-]	ZINC001573347815	962952740	/nfs/dbraw/zinc/95/27/40/962952740.db2.gz	ONIRPCBSRUVOET-NWDGAFQWSA-N	-1	0	259.302	0.310	20	30		CCEDRM
C=CCC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)CNC(=O)[O-]	ZINC001573360410	963037280	/nfs/dbraw/zinc/03/72/80/963037280.db2.gz	OBLKYTJSMXKRAS-PHIMTYICSA-N	-1	0	267.329	0.505	20	30		CCEDRM
C=CCCC[C@@H](NC(=O)c1cccc(C(N)=O)n1)C(=O)[O-]	ZINC001573366205	963058363	/nfs/dbraw/zinc/05/83/63/963058363.db2.gz	KJJGUKXWSYQODB-LLVKDONJSA-N	-1	0	291.307	0.720	20	30		CCEDRM
C=CCN1CC[C@H](N(C)C(=O)C(=C)CCC(=O)[O-])C1=O	ZINC001573367818	963070156	/nfs/dbraw/zinc/07/01/56/963070156.db2.gz	BCUSVEYTZDUWMG-NSHDSACASA-N	-1	0	280.324	0.653	20	30		CCEDRM
N#Cc1ccc(C(=O)NC[C@]2(C(=O)[O-])CCOC2)[nH]1	ZINC001570981940	963090250	/nfs/dbraw/zinc/09/02/50/963090250.db2.gz	BFLAHHQFXKXPJS-GFCCVEGCSA-N	-1	0	263.253	0.107	20	30		CCEDRM
C=CCOC[C@H](NCc1ccc(C(=O)[O-])n1C)C(=O)OC	ZINC001573369129	963092788	/nfs/dbraw/zinc/09/27/88/963092788.db2.gz	OXAANQMNCKDMMM-NSHDSACASA-N	-1	0	296.323	0.557	20	30		CCEDRM
N#Cc1csc(C(=O)NC[C@H]2CCO[C@H]2C(=O)[O-])c1	ZINC001571013988	963307724	/nfs/dbraw/zinc/30/77/24/963307724.db2.gz	WGBCUHISMYDTRF-PSASIEDQSA-N	-1	0	280.305	0.839	20	30		CCEDRM
C#CCCCC(=O)N1C[C@H](C(=O)[O-])[C@H](C(=O)OC)C1	ZINC001588435676	964025198	/nfs/dbraw/zinc/02/51/98/964025198.db2.gz	WYVGHSHJWKDTND-VHSXEESVSA-N	-1	0	267.281	0.122	20	30		CCEDRM
C#CCCCCCC(=O)N1CCC[C@@H]1C(=O)NCC(=O)[O-]	ZINC001588440752	964043712	/nfs/dbraw/zinc/04/37/12/964043712.db2.gz	OSHHDXZOIVSONR-GFCCVEGCSA-N	-1	0	294.351	0.762	20	30		CCEDRM
C=C(CCC(=O)OC)C(=O)N(C)CCCC(=O)[O-]	ZINC001588444826	964065726	/nfs/dbraw/zinc/06/57/26/964065726.db2.gz	TVZOBBKSWQYFSX-UHFFFAOYSA-N	-1	0	257.286	0.819	20	30		CCEDRM
C#CCN(CC(=O)[O-])C(=O)c1ccc([N+](=O)[O-])n1C	ZINC000092476758	967593768	/nfs/dbraw/zinc/59/37/68/967593768.db2.gz	QFCKHTRCZJPJIW-UHFFFAOYSA-N	-1	0	265.225	0.093	20	30		CCEDRM
C#CCN(CC(=O)[O-])C(=O)CN(C)C(=O)c1cccs1	ZINC000092479009	967595777	/nfs/dbraw/zinc/59/57/77/967595777.db2.gz	DAXZWEQNABZFAB-UHFFFAOYSA-N	-1	0	294.332	0.367	20	30		CCEDRM
C#CCN(CC(=O)[O-])C(=O)N[C@@H](C)C(F)(F)F	ZINC000389246876	968161535	/nfs/dbraw/zinc/16/15/35/968161535.db2.gz	BSCSZLYOXLVVCX-LURJTMIESA-N	-1	0	252.192	0.667	20	30		CCEDRM
C[C@@H]1C[C@@H](C(=O)[O-])CN(C(=O)CSCC#N)C1	ZINC000398967815	968285497	/nfs/dbraw/zinc/28/54/97/968285497.db2.gz	YMIHBZMRZIYTQX-RKDXNWHRSA-N	-1	0	256.327	0.812	20	30		CCEDRM
C#CCN(CC(=O)[O-])c1nnc(-c2ncoc2C)n1C	ZINC001588426444	969881435	/nfs/dbraw/zinc/88/14/35/969881435.db2.gz	JYNMLQWIKDMGER-UHFFFAOYSA-N	-1	0	275.268	0.303	20	30		CCEDRM
O=C([O-])[C@@]1(C(=O)N[C@@H]2CCCN(O)C2=O)CC=CCC1	ZINC001606555348	970339365	/nfs/dbraw/zinc/33/93/65/970339365.db2.gz	KMUWWMXOIWDDLI-RNCFNFMXSA-N	-1	0	282.296	0.294	20	30		CCEDRM
CC(C)(CO)CCNC(=O)[C@@](C)(C#N)CC(=O)[O-]	ZINC001609782774	970525077	/nfs/dbraw/zinc/52/50/77/970525077.db2.gz	PJXAJGAFLGTJKJ-GFCCVEGCSA-N	-1	0	256.302	0.516	20	30		CCEDRM
C[C@]1(C#N)CN(C(=O)N[C@H]2CC[C@@H](C(=O)[O-])C2)CCO1	ZINC001603290024	972542402	/nfs/dbraw/zinc/54/24/02/972542402.db2.gz	AQYVBXJHBSCZPR-NRUUGDAUSA-N	-1	0	281.312	0.564	20	30		CCEDRM
C=CC[C@H](CC)NC(=O)NCCn1cc(C(=O)[O-])nn1	ZINC000393757731	972637320	/nfs/dbraw/zinc/63/73/20/972637320.db2.gz	IVLBNALEECVYOP-VIFPVBQESA-N	-1	0	281.316	0.630	20	30		CCEDRM
COC(=O)CCN(CC(=O)[O-])C(=O)c1ccc(C#N)s1	ZINC001604306818	972963990	/nfs/dbraw/zinc/96/39/90/972963990.db2.gz	UZLFGZUOJVLSAY-UHFFFAOYSA-N	-1	0	296.304	0.710	20	30		CCEDRM
Cc1ccc(C(=O)/C=C/C(=O)NCCOCC(=O)[O-])cc1	ZINC001605244385	973007226	/nfs/dbraw/zinc/00/72/26/973007226.db2.gz	IJKUPCQKUJCZTI-VOTSOKGWSA-N	-1	0	291.303	0.951	20	30		CCEDRM
COC[C@@]1(C(=O)[O-])CCN(C(=O)c2c[nH]c(C#N)c2)C1	ZINC001604533446	973492121	/nfs/dbraw/zinc/49/21/21/973492121.db2.gz	IJKYSFKQMIEHSG-CYBMUJFWSA-N	-1	0	277.280	0.450	20	30		CCEDRM
Cc1oc(C#N)cc1C(=O)N[C@H](C(=O)[O-])c1ccnn1C	ZINC001605454916	973538637	/nfs/dbraw/zinc/53/86/37/973538637.db2.gz	PLDJGYFIAFAAFU-NSHDSACASA-N	-1	0	288.263	0.749	20	30		CCEDRM
Cn1nccc1[C@H](NCc1nc(C#N)cs1)C(=O)[O-]	ZINC001605570452	973830487	/nfs/dbraw/zinc/83/04/87/973830487.db2.gz	WSRXUZPWOWCDAK-JTQLQIEISA-N	-1	0	277.309	0.664	20	30		CCEDRM
N#C[C@H](NC(=O)[C@@H]1CO[C@@H](CCC(=O)[O-])C1)C1CC1	ZINC001605577323	973856925	/nfs/dbraw/zinc/85/69/25/973856925.db2.gz	ZMKVGRDEHCPRIF-DCAQKATOSA-N	-1	0	266.297	0.675	20	30		CCEDRM
N#CCC1(O)CN(C(=O)Nc2ccccc2C(=O)[O-])C1	ZINC001605581619	973858437	/nfs/dbraw/zinc/85/84/37/973858437.db2.gz	FBBNHQWMEBIJSF-UHFFFAOYSA-N	-1	0	275.264	0.877	20	30		CCEDRM
N#CCCCC(=O)N[C@H](Cc1ccncc1)C(=O)[O-]	ZINC001605581691	973859487	/nfs/dbraw/zinc/85/94/87/973859487.db2.gz	HRMYVJODGFTKQI-LLVKDONJSA-N	-1	0	261.281	0.887	20	30		CCEDRM
COc1cc(C#N)ccc1OC(=O)COCC(=O)[O-]	ZINC001604685161	973878970	/nfs/dbraw/zinc/87/89/70/973878970.db2.gz	OZWBAMQKPMWNFA-UHFFFAOYSA-N	-1	0	265.221	0.573	20	30		CCEDRM
N#Cc1cc(CNC(=O)C2(C(=O)[O-])CCC2)ccn1	ZINC001605592102	973892969	/nfs/dbraw/zinc/89/29/69/973892969.db2.gz	UZVVUXNUTJPPQS-UHFFFAOYSA-N	-1	0	259.265	0.824	20	30		CCEDRM
N#Cc1ccc(NC(=O)c2cnc(C(=O)[O-])cn2)nc1	ZINC001605613337	973931940	/nfs/dbraw/zinc/93/19/40/973931940.db2.gz	ZLVUYBICIWUPER-UHFFFAOYSA-N	-1	0	269.220	0.694	20	30		CCEDRM
N#Cc1ccccc1/C=C/C(=O)Nc1ncn(CC(=O)[O-])n1	ZINC001605620033	973941385	/nfs/dbraw/zinc/94/13/85/973941385.db2.gz	SFDNULFXMVEEIU-AATRIKPKSA-N	-1	0	297.274	0.886	20	30		CCEDRM
N#Cc1cnc(COC(=O)[C@@H](C(=O)[O-])C2CC2)nc1	ZINC001605622826	973943255	/nfs/dbraw/zinc/94/32/55/973943255.db2.gz	CQPSKZYSZDIMRG-SNVBAGLBSA-N	-1	0	261.237	0.502	20	30		CCEDRM
N#Cc1ccnc(N[C@@H]2CCCCN(CC(=O)[O-])C2=O)c1	ZINC001605622902	973945404	/nfs/dbraw/zinc/94/54/04/973945404.db2.gz	IKXHKICWSHTSAI-LLVKDONJSA-N	-1	0	288.307	0.831	20	30		CCEDRM
CCN(CCC#N)C(=O)c1cc(C(=O)[O-])nn1C	ZINC001603736967	974178364	/nfs/dbraw/zinc/17/83/64/974178364.db2.gz	UBBQJDZPYKHAFM-UHFFFAOYSA-N	-1	0	250.258	0.494	20	30		CCEDRM
CCc1nc([C@H](C)OC(=O)[C@](C)(C#N)CC(=O)[O-])n[nH]1	ZINC001603980831	974478784	/nfs/dbraw/zinc/47/87/84/974478784.db2.gz	QVFVDRKSYDILJW-MADCSZMMSA-N	-1	0	280.284	0.976	20	30		CCEDRM
C[C@@H](CCN=Nc1ccc(S(N)(=O)=O)cc1)C(=O)[O-]	ZINC001592471993	978235381	/nfs/dbraw/zinc/23/53/81/978235381.db2.gz	ZBKIIDMXRYLDKE-QMMMGPOBSA-N	-1	0	285.325	0.843	20	30		CCEDRM
C[C@](CCF)(NC(=O)c1ccc(C#N)cn1)C(=O)[O-]	ZINC001592498024	978306509	/nfs/dbraw/zinc/30/65/09/978306509.db2.gz	MNOUKMKGESCPAZ-GFCCVEGCSA-N	-1	0	265.244	0.886	20	30		CCEDRM
CC[C@@H](CC#N)NCC(=O)N[C@H](C(=O)[O-])C(C)C	ZINC001595029409	979157489	/nfs/dbraw/zinc/15/74/89/979157489.db2.gz	AQABJQILFVKRPD-ONGXEEELSA-N	-1	0	255.318	0.494	20	30		CCEDRM
CC[C@@H](CC#N)NC(=O)Nc1cc(C(=O)[O-])n(C)n1	ZINC001595029705	979159738	/nfs/dbraw/zinc/15/97/38/979159738.db2.gz	DPCGLRSKVWSCFQ-ZETCQYMHSA-N	-1	0	265.273	0.932	20	30		CCEDRM
CC[C@@](O)(CN(CC#N)CC(=O)[O-])C(F)(F)F	ZINC001595325727	980534403	/nfs/dbraw/zinc/53/44/03/980534403.db2.gz	BUSIJHCYAUXMDP-MRVPVSSYSA-N	-1	0	254.208	0.600	20	30		CCEDRM
CCC1=C(C(=O)C(=O)[O-])[C@H](c2cscn2)NC(=S)N1	ZINC001595398172	980968966	/nfs/dbraw/zinc/96/89/66/980968966.db2.gz	CUYJLIFWSDOPRQ-QMMMGPOBSA-N	-1	0	297.361	0.980	20	30		CCEDRM
CC[C@@H](C(=O)[O-])C(=O)N1CCN(C2CC2)[C@@H](C#N)C1	ZINC001594745939	981633700	/nfs/dbraw/zinc/63/37/00/981633700.db2.gz	YZRBDSWKWDFVGF-WDEREUQCSA-N	-1	0	265.313	0.296	20	30		CCEDRM
CC[C@H](C)CS(=O)(=O)N(CC#N)CCC(=O)[O-]	ZINC001594964230	982718307	/nfs/dbraw/zinc/71/83/07/982718307.db2.gz	HLGLNMYDRUFNQZ-VIFPVBQESA-N	-1	0	262.331	0.663	20	30		CCEDRM
N#Cc1ccc(C(=O)N[C@@H](C[C@@H]2CCCO2)C(=O)[O-])cn1	ZINC001574245263	983201280	/nfs/dbraw/zinc/20/12/80/983201280.db2.gz	JIVUAMQUUCIACH-RYUDHWBXSA-N	-1	0	289.291	0.705	20	30		CCEDRM
N#Cc1cc(NC(=O)NCC2(C(=O)[O-])CC2)ccn1	ZINC001574245284	983201628	/nfs/dbraw/zinc/20/16/28/983201628.db2.gz	KHIRUVZLQVLTDB-UHFFFAOYSA-N	-1	0	260.253	0.940	20	30		CCEDRM
C#C[C@](C)(CC)NC(=O)[C@H]1C[C@@H](C)[C@H](C(=O)[O-])O1	ZINC001588366911	983296226	/nfs/dbraw/zinc/29/62/26/983296226.db2.gz	AZXUALXLTGSQHO-VWMGYNLJSA-N	-1	0	253.298	0.783	20	30		CCEDRM
C#C[C@H](CC)NC(=O)C(=O)Nc1cccc(C(=O)[O-])n1	ZINC001588369113	983311431	/nfs/dbraw/zinc/31/14/31/983311431.db2.gz	BKJVZFVQZZNFOO-MRVPVSSYSA-N	-1	0	275.264	0.246	20	30		CCEDRM
C#C[C@@H](CCC)NS(=O)(=O)C1(C(=O)[O-])CCC1	ZINC001588370676	983321154	/nfs/dbraw/zinc/32/11/54/983321154.db2.gz	KSIREWYJTNVINN-VIFPVBQESA-N	-1	0	259.327	0.715	20	30		CCEDRM
C#C[C@H](NC(=O)N1CCC(C(=O)[O-])CC1)C1CCOCC1	ZINC001588372654	983333170	/nfs/dbraw/zinc/33/31/70/983333170.db2.gz	QAVCQSCPGWYISC-ZDUSSCGKSA-N	-1	0	294.351	0.921	20	30		CCEDRM
C#CC1(NS(=O)(=O)c2c[nH]c(C(=O)[O-])c2)CCCC1	ZINC001588380050	983366910	/nfs/dbraw/zinc/36/69/10/983366910.db2.gz	ZPMYOCUTHYJVAA-UHFFFAOYSA-N	-1	0	282.321	0.937	20	30		CCEDRM
C#C[C@H]1CCCN(Cn2nc(C(=O)OC)cc2C(=O)[O-])C1	ZINC001588383138	983377991	/nfs/dbraw/zinc/37/79/91/983377991.db2.gz	OHLCTAJNAFENAG-JTQLQIEISA-N	-1	0	291.307	0.671	20	30		CCEDRM
C#CC[C@@H](NC(=O)C(=O)NCc1ccc(F)cc1)C(=O)[O-]	ZINC001588394578	983402968	/nfs/dbraw/zinc/40/29/68/983402968.db2.gz	MQRYRNPNUNMSQX-LLVKDONJSA-N	-1	0	292.266	0.035	20	30		CCEDRM
C#CC[C@@H](CCOC)NC(=O)NCC(C)(C)C(=O)[O-]	ZINC001588396603	983409595	/nfs/dbraw/zinc/40/95/95/983409595.db2.gz	YCSFAIBGMRXNJZ-JTQLQIEISA-N	-1	0	270.329	0.825	20	30		CCEDRM
C#CC[C@@H](NC(=O)/C=C/c1cnccc1C)C(=O)[O-]	ZINC001588406220	983424763	/nfs/dbraw/zinc/42/47/63/983424763.db2.gz	NZEJSRFNBGPSCD-BTDICHCPSA-N	-1	0	258.277	0.996	20	30		CCEDRM
C#CC[C@H](NC(=O)c1cc(F)cc2nccnc21)C(=O)[O-]	ZINC001588414112	983433219	/nfs/dbraw/zinc/43/32/19/983433219.db2.gz	OGZJHQOHGHSFRO-JTQLQIEISA-N	-1	0	287.250	0.975	20	30		CCEDRM
C#CC[C@@H](NC(=O)c1cc(F)cc(C)c1N)C(=O)[O-]	ZINC001588414121	983433277	/nfs/dbraw/zinc/43/32/77/983433277.db2.gz	ONQHRBMKQMHSLQ-SNVBAGLBSA-N	-1	0	264.256	0.923	20	30		CCEDRM
C#CC[C@@H](NC(=O)c1cn(C)nc1-c1ccco1)C(=O)[O-]	ZINC001588415901	983436024	/nfs/dbraw/zinc/43/60/24/983436024.db2.gz	HYGIWSICYLMNDM-SNVBAGLBSA-N	-1	0	287.275	0.886	20	30		CCEDRM
C#CC[C@H](NCc1cc(C(=O)OC)no1)C(=O)[O-]	ZINC001588422660	983447789	/nfs/dbraw/zinc/44/77/89/983447789.db2.gz	MSNZVMUDEZAEQX-QMMMGPOBSA-N	-1	0	252.226	0.027	20	30		CCEDRM
C#CC[C@H](NS(=O)(=O)CC[C@@H]1CCCCO1)C(=O)[O-]	ZINC001588423231	983451317	/nfs/dbraw/zinc/45/13/17/983451317.db2.gz	ABCIYJQEAOHCEL-QWRGUYRKSA-N	-1	0	289.353	0.342	20	30		CCEDRM
C#CC[C@@H](NS(=O)(=O)CC[C@H]1CCCCO1)C(=O)[O-]	ZINC001588423229	983451381	/nfs/dbraw/zinc/45/13/81/983451381.db2.gz	ABCIYJQEAOHCEL-GHMZBOCLSA-N	-1	0	289.353	0.342	20	30		CCEDRM
C#CC[C@H](OC(=O)CN1CCC[C@@H](C(=O)[O-])C1=O)C1CC1	ZINC001588428446	983461738	/nfs/dbraw/zinc/46/17/38/983461738.db2.gz	OOOTWJNQEMQDGO-NEPJUHHUSA-N	-1	0	293.319	0.655	20	30		CCEDRM
C#CC[C@@H]1CCN(C(=O)Nc2cc(C(=O)[O-])n(C)n2)C1	ZINC001588433569	983468185	/nfs/dbraw/zinc/46/81/85/983468185.db2.gz	AQHNUUHSBZVWPM-SECBINFHSA-N	-1	0	276.296	0.995	20	30		CCEDRM
C#CC[C@H]1CCN(S(=O)(=O)CC2(C(=O)[O-])CCC2)C1	ZINC001588434438	983469870	/nfs/dbraw/zinc/46/98/70/983469870.db2.gz	JYWXMRKVGBNZSZ-NSHDSACASA-N	-1	0	285.365	0.916	20	30		CCEDRM
C#CC[C@@H]1CCN(C(=O)CN2CCC[C@H](C(=O)[O-])C2=O)C1	ZINC001588434625	983471352	/nfs/dbraw/zinc/47/13/52/983471352.db2.gz	OYWBXYSEJJQEQK-NEPJUHHUSA-N	-1	0	292.335	0.181	20	30		CCEDRM
C#CCC[C@@H](C)OC(=O)Cn1cc(C(=O)[O-])cn1	ZINC001588434617	983471413	/nfs/dbraw/zinc/47/14/13/983471413.db2.gz	OUSLQWLOKYTGRZ-SECBINFHSA-N	-1	0	250.254	0.926	20	30		CCEDRM
C#CC[C@H]1CCCN(S(=O)(=O)C[C@H](C)C(=O)[O-])C1	ZINC001588434665	983471599	/nfs/dbraw/zinc/47/15/99/983471599.db2.gz	PWVQXUYWROMZOA-QWRGUYRKSA-N	-1	0	273.354	0.772	20	30		CCEDRM
C#CCCCC(=O)NCCCNC(=O)[C@@H]1C[C@@H]1C(=O)[O-]	ZINC001588435137	983474773	/nfs/dbraw/zinc/47/47/73/983474773.db2.gz	DMKCCFDVHVTSIT-MNOVXSKESA-N	-1	0	280.324	0.133	20	30		CCEDRM
C#CCCn1nnnc1N1CCc2c(cccc2C(=O)[O-])C1	ZINC001588457780	983482362	/nfs/dbraw/zinc/48/23/62/983482362.db2.gz	HLNFWFHFUAOIOW-UHFFFAOYSA-N	-1	0	297.318	0.957	20	30		CCEDRM
CCN(C(=O)Cn1cccc(C(=O)[O-])c1=O)[C@H](C)C#N	ZINC001596148154	983504471	/nfs/dbraw/zinc/50/44/71/983504471.db2.gz	RNKHKEOIVVQWES-SECBINFHSA-N	-1	0	277.280	0.307	20	30		CCEDRM
C#CCN1CCC[C@H](NC(=O)c2cc(C(=O)[O-])ccn2)C1	ZINC001588475679	983509006	/nfs/dbraw/zinc/50/90/06/983509006.db2.gz	GDBDSMINBPJUBT-LBPRGKRZSA-N	-1	0	287.319	0.607	20	30		CCEDRM
C#CCN1CCC[C@H](NC(=O)NC/C=C(\C)C(=O)[O-])C1	ZINC001588477173	983514476	/nfs/dbraw/zinc/51/44/76/983514476.db2.gz	VXBPLOAGXFLKFA-BCMYLCSRSA-N	-1	0	279.340	0.414	20	30		CCEDRM
C#CCN1CCC[C@H](NC(=O)N2CC[C@@H](C(=O)[O-])[C@@H]2C)C1	ZINC001588477384	983515723	/nfs/dbraw/zinc/51/57/23/983515723.db2.gz	ZCQBJQRCOXXHSX-RWMBFGLXSA-N	-1	0	293.367	0.589	20	30		CCEDRM
C#CCN1CCC[C@@H](Nc2nccnc2C(=O)[O-])C1	ZINC001588477670	983517272	/nfs/dbraw/zinc/51/72/72/983517272.db2.gz	YKCONVYFHASAFJ-SNVBAGLBSA-N	-1	0	260.297	0.684	20	30		CCEDRM
C#CCNC(=O)[C@H](C)N[C@@H](C)c1ncc(C(=O)[O-])s1	ZINC001588479387	983519181	/nfs/dbraw/zinc/51/91/81/983519181.db2.gz	LUGFTSMGMSDHMK-YUMQZZPRSA-N	-1	0	281.337	0.630	20	30		CCEDRM
C#CCNC(=O)[C@@H](C)N(C)Cc1cc(C(=O)[O-])c(C)o1	ZINC001588479590	983520701	/nfs/dbraw/zinc/52/07/01/983520701.db2.gz	UYGNJDBCTAZXDW-SECBINFHSA-N	-1	0	278.308	0.856	20	30		CCEDRM
C#CCOCCC(=O)N[C@H](C(=O)[O-])C1CCOCC1	ZINC001588489556	983527986	/nfs/dbraw/zinc/52/79/86/983527986.db2.gz	CXQDXMOKGJEYCD-LBPRGKRZSA-N	-1	0	269.297	0.022	20	30		CCEDRM
C#CCO[C@H](C)C(=O)Nc1nnc(CCCC(=O)[O-])s1	ZINC001588490359	983532073	/nfs/dbraw/zinc/53/20/73/983532073.db2.gz	LRVMTTFKZQVYEG-MRVPVSSYSA-N	-1	0	297.336	0.922	20	30		CCEDRM
C#CCSCC(=O)OCc1cnc(C(=O)[O-])cn1	ZINC001588505938	983550149	/nfs/dbraw/zinc/55/01/49/983550149.db2.gz	APVCCJSGTOAETH-UHFFFAOYSA-N	-1	0	266.278	0.584	20	30		CCEDRM
C#CCSCC(=O)OCC(=O)N1CCC(C(=O)[O-])CC1	ZINC001588506221	983550874	/nfs/dbraw/zinc/55/08/74/983550874.db2.gz	KDPIYRBQPHMETM-UHFFFAOYSA-N	-1	0	299.348	0.219	20	30		CCEDRM
C#Cc1ccc(C(=O)N2CCOC[C@H]2CC(=O)[O-])cn1	ZINC001588510613	983556239	/nfs/dbraw/zinc/55/62/39/983556239.db2.gz	FVAGLUONPHEUFX-GFCCVEGCSA-N	-1	0	274.276	0.379	20	30		CCEDRM
C#Cc1ccc(C(=O)N[C@]2(CC(=O)[O-])CCCOC2)nc1	ZINC001588510706	983556491	/nfs/dbraw/zinc/55/64/91/983556491.db2.gz	IOWBIALZVMLGSL-HNNXBMFYSA-N	-1	0	288.303	0.817	20	30		CCEDRM
C#Cc1ccc(C(=O)N2C[C@H](C)O[C@H](C(=O)[O-])C2)cc1	ZINC001588510919	983557677	/nfs/dbraw/zinc/55/76/77/983557677.db2.gz	ONWAVBZULYWLQJ-GWCFXTLKSA-N	-1	0	273.288	0.982	20	30		CCEDRM
C#Cc1ccc(S(=O)(=O)N[C@H]2CCO[C@H]2C(=O)[O-])cc1	ZINC001588517912	983567106	/nfs/dbraw/zinc/56/71/06/983567106.db2.gz	JJVQXFPLFDTCOS-NWDGAFQWSA-N	-1	0	295.316	0.188	20	30		CCEDRM
C#Cc1cccc(NC(=O)C(=O)N2CC3CC2(C(=O)[O-])C3)c1	ZINC001588523917	983573625	/nfs/dbraw/zinc/57/36/25/983573625.db2.gz	YLHKBICXNNBWSC-UHFFFAOYSA-N	-1	0	298.298	0.682	20	30		CCEDRM
C=C(Br)Cn1nnc(CCC(=O)[O-])n1	ZINC001588528730	983577944	/nfs/dbraw/zinc/57/79/44/983577944.db2.gz	FJSSOVIFPBXQCR-UHFFFAOYSA-N	-1	0	261.079	0.599	20	30		CCEDRM
C#Cc1cncc(C(=O)NC[C@]2(C(=O)[O-])CCOC2)c1	ZINC001588528970	983579348	/nfs/dbraw/zinc/57/93/48/983579348.db2.gz	NIUNHHIFAIHVAI-CQSZACIVSA-N	-1	0	274.276	0.284	20	30		CCEDRM
C=C(C)C[C@H](NC(=O)/C=C1/SCC(=O)N1C)C(=O)[O-]	ZINC001588540330	983603649	/nfs/dbraw/zinc/60/36/49/983603649.db2.gz	CYHRFIJVRHOUDJ-UASDCXGESA-N	-1	0	284.337	0.569	20	30		CCEDRM
C=C(C)C[C@@H](NC(C)=O)C(=O)N1CC[C@H]1C(=O)[O-]	ZINC001588548039	983622706	/nfs/dbraw/zinc/62/27/06/983622706.db2.gz	PWIZZMCTEYPINO-ZJUUUORDSA-N	-1	0	254.286	0.143	20	30		CCEDRM
C=C(C)C[C@@H](NC(=O)c1ccoc1CC(N)=O)C(=O)[O-]	ZINC001588548467	983624400	/nfs/dbraw/zinc/62/44/00/983624400.db2.gz	QSKSVJDINMTHNX-SECBINFHSA-N	-1	0	280.280	0.457	20	30		CCEDRM
C=C(C)C[C@@H](NS(=O)(=O)Cc1ccon1)C(=O)[O-]	ZINC001588553982	983629413	/nfs/dbraw/zinc/62/94/13/983629413.db2.gz	WXSUFFNKJPGWFJ-SECBINFHSA-N	-1	0	274.298	0.513	20	30		CCEDRM
C=C(C)CCC(=O)N(C)CCNc1ccnc(C(=O)[O-])n1	ZINC001588554622	983631525	/nfs/dbraw/zinc/63/15/25/983631525.db2.gz	MJHFMLMXWFNAQF-UHFFFAOYSA-N	-1	0	292.339	0.823	20	30		CCEDRM
C=C(CCC(=O)[O-])C(=O)N[C@@H]1C(=O)NCC[C@H]1C	ZINC001588621290	983718877	/nfs/dbraw/zinc/71/88/77/983718877.db2.gz	BWKXPIRSKRQEGV-XCBNKYQSSA-N	-1	0	254.286	0.048	20	30		CCEDRM
C=C(CCC(=O)[O-])C(=O)N[C@H]1CC(=O)N(CC2CC2)C1	ZINC001588621877	983721337	/nfs/dbraw/zinc/72/13/37/983721337.db2.gz	LMNVBJHMYXEHKU-NSHDSACASA-N	-1	0	280.324	0.535	20	30		CCEDRM
C=C(CCC(=O)[O-])C(=O)NC1CC(CC(=O)OC)C1	ZINC001588622259	983722962	/nfs/dbraw/zinc/72/29/62/983722962.db2.gz	SPTJPNYSYBZOEQ-UHFFFAOYSA-N	-1	0	269.297	0.865	20	30		CCEDRM
C=C(CCC(=O)[O-])C(=O)NCC1(CS(C)(=O)=O)CC1	ZINC001588623613	983729102	/nfs/dbraw/zinc/72/91/02/983729102.db2.gz	UEEFSDJGQKEGKQ-UHFFFAOYSA-N	-1	0	289.353	0.348	20	30		CCEDRM
C=C(CCC(=O)[O-])C(=O)NCc1ccc(C(=O)NO)cc1	ZINC001588630205	983742407	/nfs/dbraw/zinc/74/24/07/983742407.db2.gz	UIZPBMODOWGGGH-UHFFFAOYSA-N	-1	0	292.291	0.843	20	30		CCEDRM
C=C(CCC(=O)[O-])C(=O)NCc1n[nH]c(CSC)n1	ZINC001588630458	983743848	/nfs/dbraw/zinc/74/38/48/983743848.db2.gz	LZNQXLOWOIDOBA-UHFFFAOYSA-N	-1	0	284.341	0.705	20	30		CCEDRM
C=C[C@H](C(=O)[O-])[N@H+]1C[C@H](C)O[C@@]2(CCO[C@@H]2C)C1	ZINC001588663964	983797841	/nfs/dbraw/zinc/79/78/41/983797841.db2.gz	MIHVHFUBTNGGOI-WGBDABJCSA-N	-1	0	255.314	0.894	20	30		CCEDRM
C=C[C@H](C(=O)[O-])N1CCN(CC(=O)N[C@@H](C)CC)CC1	ZINC001588668918	983807582	/nfs/dbraw/zinc/80/75/82/983807582.db2.gz	CQDGSZXNGPUSAC-NWDGAFQWSA-N	-1	0	283.372	0.158	20	30		CCEDRM
C=C[C@@H](C(=O)[O-])N1CCN(C(=O)c2ccc(=O)[nH]c2)CC1	ZINC001588669784	983815391	/nfs/dbraw/zinc/81/53/91/983815391.db2.gz	PJKZGGLKIIYMEZ-NSHDSACASA-N	-1	0	291.307	0.184	20	30		CCEDRM
C=C[C@@H](C(=O)[O-])n1cc(CN2CCC(OC)CC2)nn1	ZINC001588671999	983823374	/nfs/dbraw/zinc/82/33/74/983823374.db2.gz	MRJCAKAUIFQTKY-LBPRGKRZSA-N	-1	0	280.328	0.701	20	30		CCEDRM
C=C[C@](C)(O)C(=O)Nc1cccc(C(=O)[O-])c1N	ZINC001588682228	983842985	/nfs/dbraw/zinc/84/29/85/983842985.db2.gz	JTALMGFWWSZCBN-LBPRGKRZSA-N	-1	0	250.254	0.843	20	30		CCEDRM
C=C[C@](C)(O)CC(=O)N1C[C@H](C(=O)OC)CC[C@H]1C(=O)[O-]	ZINC001588684040	983853850	/nfs/dbraw/zinc/85/38/50/983853850.db2.gz	JNXYTTBSWYJYKL-BFVZDQMLSA-N	-1	0	299.323	0.178	20	30		CCEDRM
C=C[C@](C)(O)CC(=O)NC1(C(=O)[O-])CCOCC1	ZINC001588684570	983861259	/nfs/dbraw/zinc/86/12/59/983861259.db2.gz	UBPAWDGNOXNVHS-NSHDSACASA-N	-1	0	257.286	0.064	20	30		CCEDRM
C=C[C@H](C)NS(=O)(=O)c1cncc(C(=O)[O-])c1	ZINC001588686826	983867580	/nfs/dbraw/zinc/86/75/80/983867580.db2.gz	GOTWNQRNMVTWGK-ZETCQYMHSA-N	-1	0	256.283	0.633	20	30		CCEDRM
C=C[C@@H](COC)NC(=O)[C@H]1CC[C@@H](CCC(=O)[O-])O1	ZINC001588693189	983891750	/nfs/dbraw/zinc/89/17/50/983891750.db2.gz	SWECKYJUYDPTSN-GARJFASQSA-N	-1	0	271.313	0.716	20	30		CCEDRM
C=C[C@@H](COC)NS(=O)(=O)c1cncc(C(=O)[O-])c1	ZINC001588693340	983893599	/nfs/dbraw/zinc/89/35/99/983893599.db2.gz	WSBMNPOMOIBUJA-VIFPVBQESA-N	-1	0	286.309	0.259	20	30		CCEDRM
C=C[C@@H](COC)NS(=O)(=O)C1CCC(C(=O)[O-])CC1	ZINC001588693474	983894295	/nfs/dbraw/zinc/89/42/95/983894295.db2.gz	ZGKVILZVOROXOM-YVNMAJEFSA-N	-1	0	291.369	0.750	20	30		CCEDRM
C=C[C@H](Nc1cnn(CC(=O)OC)c1C)C(=O)[O-]	ZINC001588701929	983917107	/nfs/dbraw/zinc/91/71/07/983917107.db2.gz	CZLBNLVMWUIRRL-QMMMGPOBSA-N	-1	0	253.258	0.416	20	30		CCEDRM
C=C[C@@H](O)c1nnc(N2CC[C@](F)(C(=O)[O-])C2)n1C	ZINC001588705821	983928296	/nfs/dbraw/zinc/92/82/96/983928296.db2.gz	POULUITYRZZKQF-RDDDGLTNSA-N	-1	0	270.264	0.038	20	30		CCEDRM
C=C[C@@H](O)C(=O)OCC(=O)Nc1ccccc1C(=O)[O-]	ZINC001588705886	983928836	/nfs/dbraw/zinc/92/88/36/983928836.db2.gz	RJDDXXWJBWKCIR-SNVBAGLBSA-N	-1	0	279.248	0.413	20	30		CCEDRM
C=C[C@@H](OC(=O)C1=NN(CC(C)C)C(=O)CC1)C(=O)[O-]	ZINC001588706074	983929223	/nfs/dbraw/zinc/92/92/23/983929223.db2.gz	UABHTQJPPJKAQO-SNVBAGLBSA-N	-1	0	282.296	0.803	20	30		CCEDRM
C=C[C@@H](OC(=O)CN1C(=O)[C@@H]2CCCC[C@@H]2C1=O)C(=O)[O-]	ZINC001588710403	983931704	/nfs/dbraw/zinc/93/17/04/983931704.db2.gz	AQGPSXRXOWXDGS-KXUCPTDWSA-N	-1	0	295.291	0.344	20	30		CCEDRM
CCN1C[C@H](Cn2cc(C(=O)[O-])cc(C#N)c2=O)OC1=O	ZINC001596397425	983946571	/nfs/dbraw/zinc/94/65/71/983946571.db2.gz	HHMLJWJNCNKHFH-SNVBAGLBSA-N	-1	0	291.263	0.259	20	30		CCEDRM
C=C[C@@H](OC(=O)c1c(Br)cnn1C)C(=O)[O-]	ZINC001588713669	983950150	/nfs/dbraw/zinc/95/01/50/983950150.db2.gz	ZUFAMBILLXVLEQ-ZCFIWIBFSA-N	-1	0	289.085	0.979	20	30		CCEDRM
C=C[C@@H](Sc1nnnn1C[C@H]1CCCO1)C(=O)[O-]	ZINC001588715061	983954680	/nfs/dbraw/zinc/95/46/80/983954680.db2.gz	SZEQUZDCYHGBAY-HTQZYQBOSA-N	-1	0	270.314	0.583	20	30		CCEDRM
C=CC[C@H](C(=O)[O-])N1C[C@@H](C)S(=O)(=O)[C@@H](CC)C1	ZINC001588730253	983997253	/nfs/dbraw/zinc/99/72/53/983997253.db2.gz	YCYUHSIHPCDUGY-OUAUKWLOSA-N	-1	0	275.370	0.913	20	30		CCEDRM
C=CC[C@@H](CO)NC(=O)CCc1ocnc1C(=O)[O-]	ZINC001588743797	984039357	/nfs/dbraw/zinc/03/93/57/984039357.db2.gz	CRQPRMUEYDZLGL-QMMMGPOBSA-N	-1	0	268.269	0.359	20	30		CCEDRM
C=CC[C@@H](CO)NC(=O)Nc1nc(CC(=O)[O-])cs1	ZINC001588744021	984040588	/nfs/dbraw/zinc/04/05/88/984040588.db2.gz	GNYVVFVKJUJBQV-ZETCQYMHSA-N	-1	0	285.325	0.829	20	30		CCEDRM
C=CC[C@@H](Nc1cc(C)n(CC(=O)NC)n1)C(=O)[O-]	ZINC001588751009	984075074	/nfs/dbraw/zinc/07/50/74/984075074.db2.gz	JOVREILNVVMVGY-SECBINFHSA-N	-1	0	266.301	0.379	20	30		CCEDRM
C=CC[C@H](OC(=O)[C@H]1CCc2nnc(C)n2C1)C(=O)[O-]	ZINC001588753244	984083583	/nfs/dbraw/zinc/08/35/83/984083583.db2.gz	DAPLNBBFYYDGDO-UWVGGRQHSA-N	-1	0	279.296	0.721	20	30		CCEDRM
C=CC[C@@H](OC(=O)CN(C)C(=O)C1CC1)C(=O)[O-]	ZINC001588753851	984089528	/nfs/dbraw/zinc/08/95/28/984089528.db2.gz	OPTSJACEBLGXFE-SECBINFHSA-N	-1	0	255.270	0.427	20	30		CCEDRM
C=CC[C@@H](OC(=O)CCc1ccnn1C)C(=O)[O-]	ZINC001588754222	984092513	/nfs/dbraw/zinc/09/25/13/984092513.db2.gz	VRRRSMYRXLJNTD-SNVBAGLBSA-N	-1	0	252.270	0.925	20	30		CCEDRM
C=CC[C@H](OC(=O)c1cnn(C2CC2)c1N)C(=O)[O-]	ZINC001588759152	984110144	/nfs/dbraw/zinc/11/01/44/984110144.db2.gz	QHTHLZJMXUKITC-VIFPVBQESA-N	-1	0	265.269	0.986	20	30		CCEDRM
C=CC[C@@H](OC(=O)c1cn2c(n1)COCC2)C(=O)[O-]	ZINC001588759344	984110764	/nfs/dbraw/zinc/11/07/64/984110764.db2.gz	RUXQVZOPPBPSNM-SECBINFHSA-N	-1	0	266.253	0.599	20	30		CCEDRM
C=CC[C@H](OC(=O)c1cn(C)nc1COC)C(=O)[O-]	ZINC001588759460	984111472	/nfs/dbraw/zinc/11/14/72/984111472.db2.gz	UGWLDPMFKCALFG-JTQLQIEISA-N	-1	0	268.269	0.753	20	30		CCEDRM
C=CCCC(=O)NC[C@H](CC)Nc1ccnc(C(=O)[O-])n1	ZINC001588773759	984149156	/nfs/dbraw/zinc/14/91/56/984149156.db2.gz	IMKGVKCTLHXEBF-JTQLQIEISA-N	-1	0	292.339	0.870	20	30		CCEDRM
C=CCCC(=O)NCCNc1ncc(C(=O)[O-])cn1	ZINC001588777058	984154930	/nfs/dbraw/zinc/15/49/30/984154930.db2.gz	TVMZFOKEYYAMKO-UHFFFAOYSA-N	-1	0	264.285	0.669	20	30		CCEDRM
C=CCC[C@H](CO)NC(=O)c1csc(C(=O)[O-])n1	ZINC001588778072	984158963	/nfs/dbraw/zinc/15/89/63/984158963.db2.gz	SIVKAHIYLALULA-SSDOTTSWSA-N	-1	0	270.310	0.898	20	30		CCEDRM
C=CCC[C@@H]1NC(=O)N([C@H]2C[C@@H](C(=O)[O-])[C@@H]3C[C@@H]32)C1=O	ZINC001588782408	984171530	/nfs/dbraw/zinc/17/15/30/984171530.db2.gz	UNIJPJXCKFPPLO-XXFSISAASA-N	-1	0	278.308	0.982	20	30		CCEDRM
C=CCCC[C@H](NC(=O)[C@H](C)CC(N)=O)C(=O)[O-]	ZINC001588787625	984187810	/nfs/dbraw/zinc/18/78/10/984187810.db2.gz	WZULZZXZBSADMU-BDAKNGLRSA-N	-1	0	256.302	0.424	20	30		CCEDRM
C=CCCC[C@@H](NC(=O)[C@H]1CCCN(C(N)=O)C1)C(=O)[O-]	ZINC001588789328	984197898	/nfs/dbraw/zinc/19/78/98/984197898.db2.gz	AZJKRAFUWJJKEP-WDEREUQCSA-N	-1	0	297.355	0.703	20	30		CCEDRM
C=CCCC[C@H](NC(=O)C[C@H](N)C(F)F)C(=O)[O-]	ZINC001588789639	984199821	/nfs/dbraw/zinc/19/98/21/984199821.db2.gz	GWVRRRCNFRGCIR-YUMQZZPRSA-N	-1	0	264.272	0.895	20	30		CCEDRM
C=CCCC[C@H](NC(=O)C[C@H]1COC(=O)C1)C(=O)[O-]	ZINC001588789889	984202103	/nfs/dbraw/zinc/20/21/03/984202103.db2.gz	MCHJPRNIHZDQLS-ZJUUUORDSA-N	-1	0	269.297	0.865	20	30		CCEDRM
C=CCCC[C@H](NC(=O)C1(n2cnnn2)CC1)C(=O)[O-]	ZINC001588790253	984205325	/nfs/dbraw/zinc/20/53/25/984205325.db2.gz	UGQPSNZQMPYQHY-VIFPVBQESA-N	-1	0	279.300	0.088	20	30		CCEDRM
C=CCCC[C@H](NC(=O)[C@@H]1CCC(=O)NC1)C(=O)[O-]	ZINC001588790333	984205857	/nfs/dbraw/zinc/20/58/57/984205857.db2.gz	VOCCCHFCWABRIS-ZJUUUORDSA-N	-1	0	268.313	0.438	20	30		CCEDRM
C=CCCC[C@@H](NC(=O)[C@H]1CCOC(=O)N1)C(=O)[O-]	ZINC001588790607	984207003	/nfs/dbraw/zinc/20/70/03/984207003.db2.gz	ZUCJUWLASNNUCW-RKDXNWHRSA-N	-1	0	270.285	0.411	20	30		CCEDRM
C=CCCC[C@H](NC(=O)[C@H]1C[C@H]1C(N)=O)C(=O)[O-]	ZINC001588794156	984224724	/nfs/dbraw/zinc/22/47/24/984224724.db2.gz	MVHQWRIICOBCSD-VGMNWLOBSA-N	-1	0	254.286	0.034	20	30		CCEDRM
C=CCCC[C@@H](NC(=O)[C@@H]1CSCN1)C(=O)[O-]	ZINC001588794326	984226260	/nfs/dbraw/zinc/22/62/60/984226260.db2.gz	RBYUSQMAIDRQKU-BDAKNGLRSA-N	-1	0	258.343	0.575	20	30		CCEDRM
C=CCCC[C@@H](NC(=O)[C@@H]1C[C@H]1[N+](=O)[O-])C(=O)[O-]	ZINC001588794445	984226916	/nfs/dbraw/zinc/22/69/16/984226916.db2.gz	UOGPPWUIXBQTHU-IWSPIJDZSA-N	-1	0	256.258	0.577	20	30		CCEDRM
C=CCCCCn1nnnc1N1CCO[C@H](C(=O)[O-])C1	ZINC001588802314	984249008	/nfs/dbraw/zinc/24/90/08/984249008.db2.gz	HCXOHZXLOFELBX-JTQLQIEISA-N	-1	0	281.316	0.319	20	30		CCEDRM
C=CCCCN(C)C(=O)C(=O)Nc1c(C(=O)[O-])cnn1C	ZINC001588802419	984249052	/nfs/dbraw/zinc/24/90/52/984249052.db2.gz	LMWFRHWNLKZRCA-UHFFFAOYSA-N	-1	0	294.311	0.481	20	30		CCEDRM
C=CCCOCC(=O)N[C@H](Cc1c[nH]cn1)C(=O)[O-]	ZINC001588810217	984265686	/nfs/dbraw/zinc/26/56/86/984265686.db2.gz	DOTQINFCRLYEJK-SNVBAGLBSA-N	-1	0	267.285	0.114	20	30		CCEDRM
C=CCCOCC(=O)O[C@@H]1C[C@H](C(=O)[O-])N(C)C1	ZINC001588810300	984266369	/nfs/dbraw/zinc/26/63/69/984266369.db2.gz	IIMQZRRKSJABFF-NXEZZACHSA-N	-1	0	257.286	0.280	20	30		CCEDRM
C=CCN([C@H](C)COC)S(=O)(=O)C[C@@H](C)C(=O)[O-]	ZINC001588820786	984286381	/nfs/dbraw/zinc/28/63/81/984286381.db2.gz	RXNSGPUAOXYNAE-NXEZZACHSA-N	-1	0	279.358	0.560	20	30		CCEDRM
C=CCNC(=O)[C@@H](C)Nc1cnn(CC(=O)[O-])c1C	ZINC001588839248	984345098	/nfs/dbraw/zinc/34/50/98/984345098.db2.gz	PXQXHZPXTMEFCR-MRVPVSSYSA-N	-1	0	266.301	0.379	20	30		CCEDRM
C=CCNC(=O)[C@@H](C)S(=O)(=O)CC(C)(C)C(=O)[O-]	ZINC001588839893	984350792	/nfs/dbraw/zinc/35/07/92/984350792.db2.gz	XMMWXQQPIWJCQT-MRVPVSSYSA-N	-1	0	277.342	0.203	20	30		CCEDRM
C=CCNC(=O)Cc1noc(-c2cc(C(=O)[O-])co2)n1	ZINC001588844229	984356675	/nfs/dbraw/zinc/35/66/75/984356675.db2.gz	FVAIRFICJHYWEA-UHFFFAOYSA-N	-1	0	277.236	0.873	20	30		CCEDRM
C=CCOCC(=O)NC(C)(C)c1nocc1C(=O)[O-]	ZINC001588850966	984381972	/nfs/dbraw/zinc/38/19/72/984381972.db2.gz	MEHQXQBZHXOBEH-UHFFFAOYSA-N	-1	0	268.269	0.927	20	30		CCEDRM
C=CCOC[C@@H](NC(=O)OCC(F)(F)F)C(=O)[O-]	ZINC001588856394	984399652	/nfs/dbraw/zinc/39/96/52/984399652.db2.gz	IAXRRQFPFNVJQC-ZCFIWIBFSA-N	-1	0	271.191	0.931	20	30		CCEDRM
C=CCOC[C@@H](NC(=O)[C@H]1C[C@@H]1C(F)F)C(=O)[O-]	ZINC001588856790	984401982	/nfs/dbraw/zinc/40/19/82/984401982.db2.gz	PYEGSIHGEHHVPY-BIIVOSGPSA-N	-1	0	263.240	0.660	20	30		CCEDRM
C=CCOC[C@@H](NC(=O)c1ccc2cc[nH]c2n1)C(=O)[O-]	ZINC001588862131	984417551	/nfs/dbraw/zinc/41/75/51/984417551.db2.gz	QSLOGIALEVSVSQ-LLVKDONJSA-N	-1	0	289.291	0.949	20	30		CCEDRM
C=CCOCCCC(=O)O[C@H]1C[C@@H](C(=O)[O-])N(C)C1	ZINC001588866535	984426189	/nfs/dbraw/zinc/42/61/89/984426189.db2.gz	JOVXIENVGWVRGE-QWRGUYRKSA-N	-1	0	271.313	0.670	20	30		CCEDRM
C=CCOCCN1CC[C@H](C(=O)[O-])C[C@@H]1C(=O)OC	ZINC001588868885	984435800	/nfs/dbraw/zinc/43/58/00/984435800.db2.gz	FGMPIIPQHZEAMH-WDEREUQCSA-N	-1	0	271.313	0.527	20	30		CCEDRM
C=CCOCCN1CCN(C(=O)[C@@H]2C[C@H]2C(=O)[O-])CC1	ZINC001588869204	984438810	/nfs/dbraw/zinc/43/88/10/984438810.db2.gz	ZDXUYRYYOVYLKA-VXGBXAGGSA-N	-1	0	282.340	0.054	20	30		CCEDRM
C=CCOc1cccc(CN2CC(O)(C(=O)[O-])C2)c1	ZINC001588872787	984442066	/nfs/dbraw/zinc/44/20/66/984442066.db2.gz	JSZLBGXCNSWGIU-UHFFFAOYSA-N	-1	0	263.293	0.883	20	30		CCEDRM
C=CCOc1ccc(CC(=O)NC[C@H](O)CC(=O)[O-])cc1	ZINC001588873995	984446861	/nfs/dbraw/zinc/44/68/61/984446861.db2.gz	QNERZBXEXDDHSH-GFCCVEGCSA-N	-1	0	293.319	0.746	20	30		CCEDRM
C=CCSCCNS(=O)(=O)c1cc(C(=O)[O-])[nH]n1	ZINC001588879909	984460131	/nfs/dbraw/zinc/46/01/31/984460131.db2.gz	YPJPWXPNXLLSAE-UHFFFAOYSA-N	-1	0	291.354	0.305	20	30		CCEDRM
C=CCn1c(-c2ncon2)nnc1N1CC[C@@H](C(=O)[O-])C1	ZINC001588891130	984486441	/nfs/dbraw/zinc/48/64/41/984486441.db2.gz	FHAZXDOMMLSFAA-MRVPVSSYSA-N	-1	0	290.283	0.425	20	30		CCEDRM
C=CCn1c([C@@H](C)CO)nnc1N1C[C@@H](C)[C@H](C(=O)[O-])C1	ZINC001588895403	984493359	/nfs/dbraw/zinc/49/33/59/984493359.db2.gz	FIVRJZZTERSLSW-OUAUKWLOSA-N	-1	0	294.355	0.717	20	30		CCEDRM
C=CCn1cnn(CN2CCOC[C@H]2CC(=O)[O-])c1=S	ZINC001588908939	984540617	/nfs/dbraw/zinc/54/06/17/984540617.db2.gz	ATPPMUOORRIXNU-SNVBAGLBSA-N	-1	0	298.368	0.733	20	30		CCEDRM
C=CCn1cc(C(=O)N[C@@H](C[C@H]2CCCO2)C(=O)[O-])nn1	ZINC001588910108	984547200	/nfs/dbraw/zinc/54/72/00/984547200.db2.gz	LDZCIMWGGGUCHI-ZJUUUORDSA-N	-1	0	294.311	0.216	20	30		CCEDRM
C=C[C@@H]1OCCC[C@H]1NC(=O)N1CCO[C@H](CC(=O)[O-])C1	ZINC001588914482	984558323	/nfs/dbraw/zinc/55/83/23/984558323.db2.gz	YFIUCLFZZQAKQD-UTUOFQBUSA-N	-1	0	298.339	0.605	20	30		CCEDRM
C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H](C[C@H]1CCCO1)C(=O)[O-]	ZINC001588916900	984564703	/nfs/dbraw/zinc/56/47/03/984564703.db2.gz	JTAWODZVXQUKIS-WYUUTHIRSA-N	-1	0	283.324	0.716	20	30		CCEDRM
CC#CC[C@@H](CO)NC(=O)[C@H]1CC[C@H](C(=O)[O-])CC1	ZINC001588926103	984591422	/nfs/dbraw/zinc/59/14/22/984591422.db2.gz	JBXRXLZKKDKOIM-SRVKXCTJSA-N	-1	0	267.325	0.768	20	30		CCEDRM
CC#CC(=O)N[C@H](C(=O)[O-])c1ccc(OC)cc1OC	ZINC001588926421	984593814	/nfs/dbraw/zinc/59/38/14/984593814.db2.gz	WWOCAFOIZHUUCI-ZDUSSCGKSA-N	-1	0	277.276	0.969	20	30		CCEDRM
CC#CCCNC(=O)C(=O)NC1CCC(C(=O)[O-])CC1	ZINC001588926897	984595090	/nfs/dbraw/zinc/59/50/90/984595090.db2.gz	BPKPJVICZPYVFO-UHFFFAOYSA-N	-1	0	280.324	0.276	20	30		CCEDRM
C/C(=C/CNC(=O)C#Cc1ccc2c(c1)OCO2)C(=O)[O-]	ZINC001588961197	984735025	/nfs/dbraw/zinc/73/50/25/984735025.db2.gz	LCOBQQWVSIWWMC-POHAHGRESA-N	-1	0	287.271	0.914	20	30		CCEDRM
CC(=NO[C@@H](C)C(N)=O)c1ccc(OCC(=O)[O-])cc1	ZINC001589017270	985003310	/nfs/dbraw/zinc/00/33/10/985003310.db2.gz	GZMVGDHRIQECJA-VIFPVBQESA-N	-1	0	280.280	0.764	20	30		CCEDRM
CC(=O)N[C@](C)(C(=O)N(CC#N)CCC(=O)[O-])C(C)C	ZINC001589103634	985321167	/nfs/dbraw/zinc/32/11/67/985321167.db2.gz	IVKLQNKMPMRWNY-ZDUSSCGKSA-N	-1	0	283.328	0.364	20	30		CCEDRM
Cc1c(C(=O)N2CC[C@@H]2C(=O)[O-])cnn1CCC#N	ZINC001599977401	986112768	/nfs/dbraw/zinc/11/27/68/986112768.db2.gz	KJHGEXIGBBTTGR-SNVBAGLBSA-N	-1	0	262.269	0.404	20	30		CCEDRM
C[C@@H](C#N)CN(C)S(=O)(=O)[C@H]1CC[C@@H](C(=O)[O-])C1	ZINC001589330538	986174806	/nfs/dbraw/zinc/17/48/06/986174806.db2.gz	JDSPQAZFGGHKHJ-AEJSXWLSSA-N	-1	0	274.342	0.661	20	30		CCEDRM
C[C@H](C#N)CN(CCc1cn(CC(=O)[O-])nn1)C1CC1	ZINC001589330799	986178050	/nfs/dbraw/zinc/17/80/50/986178050.db2.gz	QVAQFCGLAINGRD-SNVBAGLBSA-N	-1	0	277.328	0.529	20	30		CCEDRM
C[C@@H](C#N)CNC(=O)C(=O)Nc1cccc(C(=O)[O-])c1	ZINC001589330769	986178141	/nfs/dbraw/zinc/17/81/41/986178141.db2.gz	PUGFRINZBAYIMK-QMMMGPOBSA-N	-1	0	275.264	0.599	20	30		CCEDRM
C[C@H](C#N)CNC(=O)C(=O)Nc1cccc(C(=O)[O-])c1	ZINC001589330768	986178149	/nfs/dbraw/zinc/17/81/49/986178149.db2.gz	PUGFRINZBAYIMK-MRVPVSSYSA-N	-1	0	275.264	0.599	20	30		CCEDRM
C[C@@H](C(=O)NCc1ccc(C(=O)[O-])o1)n1cnc(C#N)n1	ZINC001589416254	986654051	/nfs/dbraw/zinc/65/40/51/986654051.db2.gz	VKHDJMIIDKEJBB-ZETCQYMHSA-N	-1	0	289.251	0.318	20	30		CCEDRM
CCOc1nnc(CN(CC#N)CCC(=O)[O-])s1	ZINC001597202551	987107315	/nfs/dbraw/zinc/10/73/15/987107315.db2.gz	QFJBCMBQXHLSBL-UHFFFAOYSA-N	-1	0	270.314	0.737	20	30		CCEDRM
CC[C@H](C#N)N(CC)C(=O)Cn1ccc(C(=O)[O-])n1	ZINC001594724667	987221894	/nfs/dbraw/zinc/22/18/94/987221894.db2.gz	ACDNWESYCWWLFH-SECBINFHSA-N	-1	0	264.285	0.732	20	30		CCEDRM
CC[S@](=O)CC(=O)O[C@@H](C(=O)[O-])c1ccc(C#N)cc1	ZINC001597250555	987235721	/nfs/dbraw/zinc/23/57/21/987235721.db2.gz	SFKLGDZJGLDJNN-ODXCJYRJSA-N	-1	0	295.316	0.996	20	30		CCEDRM
C[C@@H](C#N)NS(=O)(=O)c1ccc(C(=O)[O-])s1	ZINC001599830368	988663569	/nfs/dbraw/zinc/66/35/69/988663569.db2.gz	RCYCGLBTPXNRQY-YFKPBYRVSA-N	-1	0	260.296	0.637	20	30		CCEDRM
C[C@@H]1C[C@H](C(=O)N2CCC[C@H](C#N)C2)O[C@H]1C(=O)[O-]	ZINC001599873329	989383978	/nfs/dbraw/zinc/38/39/78/989383978.db2.gz	NFDQIOWZEFBBCS-GWOFURMSSA-N	-1	0	266.297	0.627	20	30		CCEDRM
CCn1nc(C)c(C(=O)N(CC#N)CCC(=O)[O-])c1C	ZINC001597928797	989885732	/nfs/dbraw/zinc/88/57/32/989885732.db2.gz	WXIKBLMMPMXGOQ-UHFFFAOYSA-N	-1	0	278.312	0.960	20	30		CCEDRM
CN(C)C[C@@](C)(C#N)NC(=O)Cc1ccc(C(=O)[O-])cc1	ZINC001598199630	990809386	/nfs/dbraw/zinc/80/93/86/990809386.db2.gz	NLRHNQFSSDZROQ-OAHLLOKOSA-N	-1	0	289.335	0.887	20	30		CCEDRM
CN(C)Cc1cc(C(=O)N(CC#N)CCC(=O)[O-])no1	ZINC001598247187	991016098	/nfs/dbraw/zinc/01/60/98/991016098.db2.gz	PIHXYRHQPBPJNS-UHFFFAOYSA-N	-1	0	280.284	0.177	20	30		CCEDRM
CN(C)c1cc(C#N)cc(C(=O)N[C@@H](CF)C(=O)[O-])c1	ZINC001598287333	991187277	/nfs/dbraw/zinc/18/72/77/991187277.db2.gz	GCBSVMOWLDDUOL-NSHDSACASA-N	-1	0	279.271	0.777	20	30		CCEDRM
CN(C)c1cc(CN(CC#N)CCC(=O)[O-])ccn1	ZINC001598301170	991252036	/nfs/dbraw/zinc/25/20/36/991252036.db2.gz	MCXMNWSTBQVQKI-UHFFFAOYSA-N	-1	0	262.313	0.948	20	30		CCEDRM
CN(CC(C)(C)C#N)S(=O)(=O)c1cc(C(=O)[O-])no1	ZINC001598420473	991757481	/nfs/dbraw/zinc/75/74/81/991757481.db2.gz	ZMMAVOHTIQCFIS-UHFFFAOYSA-N	-1	0	287.297	0.543	20	30		CCEDRM
COc1nccnc1N=NCc1cc(C(=O)[O-])n(C)c1	ZINC001599738331	991808974	/nfs/dbraw/zinc/80/89/74/991808974.db2.gz	FKZJHZHMNFEREY-UHFFFAOYSA-N	-1	0	275.268	0.968	20	30		CCEDRM
CC(C)CN(C(=O)CN(CC#N)CCC(=O)[O-])C1CC1	ZINC001591281699	992218580	/nfs/dbraw/zinc/21/85/80/992218580.db2.gz	YIXAUSGKARYPPG-UHFFFAOYSA-N	-1	0	281.356	0.934	20	30		CCEDRM
CC(C)CN(CCC#N)Cn1cc(C(=O)[O-])nn1	ZINC001591322287	992293379	/nfs/dbraw/zinc/29/33/79/992293379.db2.gz	VVQVNUOSXBJVKC-UHFFFAOYSA-N	-1	0	251.290	0.805	20	30		CCEDRM
CN(Cc1ccc(C(=O)[O-])cc1)C(=O)NCC#CCO	ZINC001598511443	992571287	/nfs/dbraw/zinc/57/12/87/992571287.db2.gz	OUKBVVOFRYTJRQ-UHFFFAOYSA-N	-1	0	276.292	0.522	20	30		CCEDRM
CC(C)N(C)S(=O)(=O)N1CCC(C#N)(C(=O)[O-])CC1	ZINC001591556458	992754531	/nfs/dbraw/zinc/75/45/31/992754531.db2.gz	APKVHHBLOPYIBB-UHFFFAOYSA-N	-1	0	289.357	0.262	20	30		CCEDRM
C[C@@](NC(=O)c1ccnc(C#N)c1)(C(=O)[O-])C1CC1	ZINC001593181938	994074742	/nfs/dbraw/zinc/07/47/42/994074742.db2.gz	ZRHCVZOFLHKSMA-ZDUSSCGKSA-N	-1	0	259.265	0.936	20	30		CCEDRM
CNc1ccc(C#N)cc1NS(=O)(=O)CCC(=O)[O-]	ZINC001598678658	994890364	/nfs/dbraw/zinc/89/03/64/994890364.db2.gz	XIDNFZDJLVHASN-UHFFFAOYSA-N	-1	0	283.309	0.816	20	30		CCEDRM
C[C@@H](OC(=O)c1csc(C#N)c1)C(=O)C(=O)[O-]	ZINC001593600095	995751205	/nfs/dbraw/zinc/75/12/05/995751205.db2.gz	VBGGLVMRXOVJPD-RXMQYKEDSA-N	-1	0	253.235	0.819	20	30		CCEDRM
COC(=O)[C@@H]1CC[C@@H](C(=O)[O-])CN1C(=O)CC1(C#N)CC1	ZINC001598764197	995811349	/nfs/dbraw/zinc/81/13/49/995811349.db2.gz	YPHUXSSGHJFUDR-ZJUUUORDSA-N	-1	0	294.307	0.545	20	30		CCEDRM
COC(=O)[C@H]1CN(C(=O)CC(C)(C)C#N)C[C@@H]1C(=O)[O-]	ZINC001598805397	996181049	/nfs/dbraw/zinc/18/10/49/996181049.db2.gz	DFTZCAPQJZAGTH-IUCAKERBSA-N	-1	0	282.296	0.258	20	30		CCEDRM
CC1(C)CC[C@H](C(=O)N(CC#N)CCC(=O)[O-])O1	ZINC001593871579	996684511	/nfs/dbraw/zinc/68/45/11/996684511.db2.gz	ZIELJXVSYNMPDM-SECBINFHSA-N	-1	0	254.286	0.771	20	30		CCEDRM
CO[C@@]1(C(=O)[O-])CCN(C(=O)c2cscc2C#N)C1	ZINC001599075484	996852566	/nfs/dbraw/zinc/85/25/66/996852566.db2.gz	HXYOWNWKIFPXIA-LBPRGKRZSA-N	-1	0	280.305	0.935	20	30		CCEDRM
COc1cc(CC(=O)N(CC#N)CC(=O)[O-])ccc1O	ZINC001599396328	997132903	/nfs/dbraw/zinc/13/29/03/997132903.db2.gz	CPOFTYVOXXKIAO-UHFFFAOYSA-N	-1	0	278.264	0.380	20	30		CCEDRM
COC(=O)[C@H]1CC[C@H]1C(=O)N(CC#N)CCC(=O)[O-]	ZINC001598906334	997271466	/nfs/dbraw/zinc/27/14/66/997271466.db2.gz	YEEWTZXHWIBORJ-BDAKNGLRSA-N	-1	0	268.269	0.012	20	30		CCEDRM
COCC[C@@](C)(C#N)NC(=O)c1cncc(C(=O)[O-])c1	ZINC001599207520	997437571	/nfs/dbraw/zinc/43/75/71/997437571.db2.gz	NNITXJLROPXETM-ZDUSSCGKSA-N	-1	0	277.280	0.828	20	30		CCEDRM
CO[C@]12CCC[C@@]1(C(=O)N(CC#N)CCC(=O)[O-])CCO2	ZINC001599327067	997682503	/nfs/dbraw/zinc/68/25/03/997682503.db2.gz	AMNDVTKNMKSFAG-KBPBESRZSA-N	-1	0	296.323	0.747	20	30		CCEDRM
COC(=O)c1cc(CN2CCC(C#N)(C(=O)[O-])CC2)on1	ZINC001598931469	997766464	/nfs/dbraw/zinc/76/64/64/997766464.db2.gz	MAZADTOKJUXRPG-UHFFFAOYSA-N	-1	0	293.279	0.652	20	30		CCEDRM
COCCN(CC#N)C(=O)c1cccc(C(=O)[O-])n1	ZINC001599230952	997851964	/nfs/dbraw/zinc/85/19/64/997851964.db2.gz	IFAZTPSJVYYKMB-UHFFFAOYSA-N	-1	0	263.253	0.392	20	30		CCEDRM
CO[C@@H]1CN(c2ccc(C(=O)[O-])nc2C#N)CCO1	ZINC001599136601	998055434	/nfs/dbraw/zinc/05/54/34/998055434.db2.gz	LZFWGXJTTJKYGQ-NSHDSACASA-N	-1	0	263.253	0.461	20	30		CCEDRM
COCC#CC(=O)N1CC[C@@H](c2ncc(C(=O)[O-])s2)C1	ZINC001599139750	998106765	/nfs/dbraw/zinc/10/67/65/998106765.db2.gz	YETGWGMUQDQOQE-SECBINFHSA-N	-1	0	294.332	0.807	20	30		CCEDRM
COC[C@@](C)(C#N)NC(=O)c1cc(C(=O)[O-])no1	ZINC001599144051	998181828	/nfs/dbraw/zinc/18/18/28/998181828.db2.gz	RXLIEBGISGOOIT-SNVBAGLBSA-N	-1	0	253.214	0.031	20	30		CCEDRM
COC[C@](C)(CC(=O)[O-])NC(=O)c1ccc(C#N)c(O)c1	ZINC001599147697	998241451	/nfs/dbraw/zinc/24/14/51/998241451.db2.gz	PONWGRRSYWIBEK-AWEZNQCLSA-N	-1	0	292.291	0.873	20	30		CCEDRM
C[C@@H]1[C@@H](C(=O)[O-])CCN1C(=O)c1ccc(C#N)n1C	ZINC001594158562	998585864	/nfs/dbraw/zinc/58/58/64/998585864.db2.gz	IXTHTFIPLHPOCC-SCZZXKLOSA-N	-1	0	261.281	0.832	20	30		CCEDRM
CC1CC(C#N)(C(=O)N2C[C@@H](O)C[C@H](C(=O)[O-])C2)C1	ZINC001594200342	998773541	/nfs/dbraw/zinc/77/35/41/998773541.db2.gz	GEHJIIMGWJDFGU-XWDDTNKTSA-N	-1	0	266.297	0.220	20	30		CCEDRM
C[C@@H]1C[C@H](C(=O)NC2=NO[C@@H](C)C2)O[C@H]1C(=O)[O-]	ZINC001594259375	998998813	/nfs/dbraw/zinc/99/88/13/998998813.db2.gz	FADKQTWSBQDMDX-JVZYCSMKSA-N	-1	0	256.258	0.103	20	30		CCEDRM
COC(CN(CCC(=O)[O-])C(=O)C#CC(C)C)OC	ZINC001599047023	999157702	/nfs/dbraw/zinc/15/77/02/999157702.db2.gz	REAPCSYEGNZARW-UHFFFAOYSA-N	-1	0	271.313	0.568	20	30		CCEDRM
N#Cc1cc(F)c(C(=O)[N-]N2CCCNC2=O)c(F)c1	ZINC000273066429	192034895	/nfs/dbraw/zinc/03/48/95/192034895.db2.gz	JVLOYRZKYTWDIW-UHFFFAOYSA-N	-1	0	280.234	0.897	20	30		CCEDRM
Cn1ncc(C#N)c1[N-]S(=O)(=O)c1cccc(C#N)c1	ZINC000093342657	349539646	/nfs/dbraw/zinc/53/96/46/349539646.db2.gz	MTCIGXGOGBDPBS-UHFFFAOYSA-N	-1	0	287.304	0.964	20	30		CCEDRM
C=CCN(C(=O)CSc1n[nH]c(=O)[n-]1)[C@H](C)COC	ZINC000617582119	365687626	/nfs/dbraw/zinc/68/76/26/365687626.db2.gz	GZQPBVQHKGXKKS-MRVPVSSYSA-N	-1	0	286.357	0.652	20	30		CCEDRM
N#CCCCCS(=O)(=O)N1CC(F)(F)C[C@@H]1C(=O)[O-]	ZINC000600659349	362027486	/nfs/dbraw/zinc/02/74/86/362027486.db2.gz	OUKAZKUJVHAWKO-MRVPVSSYSA-N	-1	0	296.295	0.804	20	30		CCEDRM
Cc1[n-][nH]c(=NC(=O)[C@H](C)Cc2c[nH]cn2)c1C#N	ZINC000600825076	362072456	/nfs/dbraw/zinc/07/24/56/362072456.db2.gz	HTWUMQOQLXTKTF-SSDOTTSWSA-N	-1	0	258.285	0.552	20	30		CCEDRM
N#Cc1ccc(CN=c2[n-]nc(CCO)s2)cc1	ZINC000601063483	362142494	/nfs/dbraw/zinc/14/24/94/362142494.db2.gz	BVDRMUYJAVCWKK-UHFFFAOYSA-N	-1	0	260.322	0.979	20	30		CCEDRM
CC(C)(CCC(=O)[O-])NS(=O)(=O)c1ccc(C#N)nc1	ZINC000127111094	187283123	/nfs/dbraw/zinc/28/31/23/187283123.db2.gz	LNORYESSBVUTSN-UHFFFAOYSA-N	-1	0	297.336	0.875	20	30		CCEDRM
N#Cc1c(C2CC2)[n-][nH]c1=NC(=O)c1cnn2c1CCC2	ZINC000601740127	362375487	/nfs/dbraw/zinc/37/54/87/362375487.db2.gz	XGWAYWQYXMAKDC-UHFFFAOYSA-N	-1	0	282.307	0.976	20	30		CCEDRM
N#Cc1cn(CC(=O)N2CCC3(CC3)CC2)c(=O)[n-]c1=O	ZINC000602095490	362484281	/nfs/dbraw/zinc/48/42/81/362484281.db2.gz	CGQZBNUYNUOHDJ-UHFFFAOYSA-N	-1	0	288.307	0.223	20	30		CCEDRM
CC[C@@H](C)CN(C)C(=O)CCn1cc(C#N)c(=O)[n-]c1=O	ZINC000602099692	362486737	/nfs/dbraw/zinc/48/67/37/362486737.db2.gz	ZISBVYNWUDDMMF-SNVBAGLBSA-N	-1	0	292.339	0.715	20	30		CCEDRM
C[C@H]1CN(C(=O)Cn2cc(C#N)c(=O)[n-]c2=O)CC[C@@H]1C	ZINC000602134189	362512865	/nfs/dbraw/zinc/51/28/65/362512865.db2.gz	TYEXFGBHAKGDIT-UWVGGRQHSA-N	-1	0	290.323	0.325	20	30		CCEDRM
CN(C(=O)CCCc1nnn[n-]1)[C@H]1CCC[C@@H]1C#N	ZINC000602195363	362551412	/nfs/dbraw/zinc/55/14/12/362551412.db2.gz	KGWJGUIWNWSCBO-ZJUUUORDSA-N	-1	0	262.317	0.673	20	30		CCEDRM
CN(C(=O)Cn1cc(C#N)c(=O)[n-]c1=O)C1CC(C)(C)C1	ZINC000602161978	362536258	/nfs/dbraw/zinc/53/62/58/362536258.db2.gz	JCEJLQMHUIWUHM-UHFFFAOYSA-N	-1	0	290.323	0.468	20	30		CCEDRM
N#Cc1ccc(S(=O)(=O)N2CC[C@@H](C(=O)[O-])C2)cc1F	ZINC000262730659	137051877	/nfs/dbraw/zinc/05/18/77/137051877.db2.gz	BTGGHAGTCMEKFU-SECBINFHSA-N	-1	0	298.295	0.793	20	30		CCEDRM
C[C@@](O)(CNC(=O)Nc1ccc(C#N)c(F)c1)C(=O)[O-]	ZINC000263305365	137063293	/nfs/dbraw/zinc/06/32/93/137063293.db2.gz	DYMFDVQLVRATLH-GFCCVEGCSA-N	-1	0	281.243	0.654	20	30		CCEDRM
C[C@](O)(CNc1ccc(Cl)c(C#N)n1)C(=O)[O-]	ZINC000263550896	137068216	/nfs/dbraw/zinc/06/82/16/137068216.db2.gz	KULCHEGMFJKWAO-JTQLQIEISA-N	-1	0	255.661	0.854	20	30		CCEDRM
N#Cc1cncc(S(=O)(=O)NCCCCCC(=O)[O-])c1	ZINC000312367091	137077128	/nfs/dbraw/zinc/07/71/28/137077128.db2.gz	LUYSYQUSBNOSJB-UHFFFAOYSA-N	-1	0	297.336	0.877	20	30		CCEDRM
Cn1cc(C#N)c(=NC(=O)N2CC[C@@H]3COC[C@@H]3C2)[n-]1	ZINC000602885519	362863880	/nfs/dbraw/zinc/86/38/80/362863880.db2.gz	FVRXXUWVCRJJLP-KOLCDFICSA-N	-1	0	275.312	0.214	20	30		CCEDRM
N#Cc1nc(NC(=O)[C@H]2CC(=O)N(C3CC3)C2)[n-]c1C#N	ZINC000045579445	348338427	/nfs/dbraw/zinc/33/84/27/348338427.db2.gz	ZPLRZEUHLUZJFT-ZETCQYMHSA-N	-1	0	284.279	0.102	20	30		CCEDRM
COc1ccc(S(=O)(=O)NC[C@H](C)C#N)cc1C(=O)[O-]	ZINC000054156601	348544232	/nfs/dbraw/zinc/54/42/32/348544232.db2.gz	RWGKUDQWPAVDNC-MRVPVSSYSA-N	-1	0	298.320	0.831	20	30		CCEDRM
Cn1cc(C#N)c([N-]S(=O)(=O)c2ccoc2)n1	ZINC000350126175	137412665	/nfs/dbraw/zinc/41/26/65/137412665.db2.gz	JVIDRTYWUBRHGA-UHFFFAOYSA-N	-1	0	252.255	0.686	20	30		CCEDRM
Cc1ccc(C#N)cc1NC(=O)CC[C@@H]1NC(=O)NC1=O	ZINC000127695133	350175851	/nfs/dbraw/zinc/17/58/51/350175851.db2.gz	BXSFGJSWDYCZKQ-JTQLQIEISA-N	-1	0	286.291	0.793	20	30		CCEDRM
CCOC[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)[O-]	ZINC000291005928	197885902	/nfs/dbraw/zinc/88/59/02/197885902.db2.gz	UGTKKBGYQAKELG-LLVKDONJSA-N	-1	0	298.320	0.326	20	30		CCEDRM
C[C@H](NS(=O)(=O)c1ccc(C#N)c(Cl)c1)C(=O)[O-]	ZINC000168616982	350828900	/nfs/dbraw/zinc/82/89/00/350828900.db2.gz	CZAXNAMIZNCVEQ-LURJTMIESA-N	-1	0	288.712	0.963	20	30		CCEDRM
C[C@H](NS(=O)(=O)c1ccc(F)cc1C#N)C(=O)N(C)C	ZINC000190580861	351727522	/nfs/dbraw/zinc/72/75/22/351727522.db2.gz	ISAXZXFWQMGDSZ-QMMMGPOBSA-N	-1	0	299.327	0.452	20	30		CCEDRM
C=CCN(C)S(=O)(=O)N1CCC[C@@H](C(=O)[O-])C1	ZINC000227643981	352056962	/nfs/dbraw/zinc/05/69/62/352056962.db2.gz	LPBYHMUPIVDTHS-SECBINFHSA-N	-1	0	262.331	0.146	20	30		CCEDRM
N#Cc1ccc(S(=O)(=O)[N-]c2cncnc2)cn1	ZINC000231773411	352133745	/nfs/dbraw/zinc/13/37/45/352133745.db2.gz	FRZWLKCVFQEQPV-UHFFFAOYSA-N	-1	0	261.266	0.544	20	30		CCEDRM
C[C@H]1[C@@H](C(=O)[O-])CCN1S(=O)(=O)c1ccc(C#N)nc1	ZINC000228698550	352080652	/nfs/dbraw/zinc/08/06/52/352080652.db2.gz	QWGXOJWEJNYKQI-KWQFWETISA-N	-1	0	295.320	0.437	20	30		CCEDRM
N#Cc1ncccc1S(=O)(=O)NCCCCO	ZINC000236502997	352195912	/nfs/dbraw/zinc/19/59/12/352195912.db2.gz	KZWJWURNKZVNSE-UHFFFAOYSA-N	-1	0	255.299	0.004	20	30		CCEDRM
C[C@H](CN(C)C(=O)c1ccc(C#N)cc1)c1nnn[n-]1	ZINC000274770371	353161108	/nfs/dbraw/zinc/16/11/08/353161108.db2.gz	LVULSGUIFJBPHB-SECBINFHSA-N	-1	0	270.296	0.947	20	30		CCEDRM
Cc1cccc(S(=O)(=O)N2CC(C(=O)[O-])C2)c1C#N	ZINC000275145697	353188280	/nfs/dbraw/zinc/18/82/80/353188280.db2.gz	QOUPPADPRMFTRB-UHFFFAOYSA-N	-1	0	280.305	0.572	20	30		CCEDRM
CSCCO[N-]C(=O)C(=O)NCc1cccc(C#N)c1	ZINC000284179773	353553498	/nfs/dbraw/zinc/55/34/98/353553498.db2.gz	ZIQNYQGZHYNLNF-UHFFFAOYSA-N	-1	0	293.348	0.585	20	30		CCEDRM
C[C@@]1(NS(=O)(=O)c2ccc(C#N)o2)CCOC1	ZINC000287672594	353660946	/nfs/dbraw/zinc/66/09/46/353660946.db2.gz	DHWJNBWEWPUCIK-SNVBAGLBSA-N	-1	0	256.283	0.609	20	30		CCEDRM
N#Cc1ccc(S(=O)(=O)NCC2(C(=O)[O-])CCC2)o1	ZINC000558473272	291057311	/nfs/dbraw/zinc/05/73/11/291057311.db2.gz	PSZWIOMPLVHCGK-UHFFFAOYSA-N	-1	0	284.293	0.684	20	30		CCEDRM
CSc1nc(NC(=O)[C@@H](C)n2cnc(C#N)n2)n[nH]1	ZINC000336934303	355229375	/nfs/dbraw/zinc/22/93/75/355229375.db2.gz	COBLKGQMGNVYKJ-RXMQYKEDSA-N	-1	0	278.301	0.189	20	30		CCEDRM
COC[C@@H](C)S(=O)(=O)NCC(=O)c1ccc(C#N)cc1	ZINC000341074926	355599419	/nfs/dbraw/zinc/59/94/19/355599419.db2.gz	ARTRVAYASLDNLO-SNVBAGLBSA-N	-1	0	296.348	0.695	20	30		CCEDRM
COC[C@@H](NS(=O)(=O)c1cccc(CC#N)c1)C(=O)[O-]	ZINC000619470696	366264961	/nfs/dbraw/zinc/26/49/61/366264961.db2.gz	FRMNCCGAEMJQDJ-LLVKDONJSA-N	-1	0	298.320	0.131	20	30		CCEDRM
CC(C)n1cc(C#N)c(=NC(=O)c2cnccn2)[n-]1	ZINC000354936153	356532462	/nfs/dbraw/zinc/53/24/62/356532462.db2.gz	VIFZHOLJIQTCRQ-UHFFFAOYSA-N	-1	0	256.269	0.800	20	30		CCEDRM
Cn1cc(C#N)c(=NC(=O)N[C@H](CO)CC2CCC2)[n-]1	ZINC000619536984	366277568	/nfs/dbraw/zinc/27/75/68/366277568.db2.gz	OXLNPVQFOLQLCL-NSHDSACASA-N	-1	0	277.328	0.386	20	30		CCEDRM
COC(=O)c1ccc(=NC(=O)NCC(C)(C)C#N)[n-]n1	ZINC000619629083	366304788	/nfs/dbraw/zinc/30/47/88/366304788.db2.gz	DEMRNWHOLBBKKF-UHFFFAOYSA-N	-1	0	277.284	0.356	20	30		CCEDRM
N#Cc1ccc(CSCC(=O)NCc2nnn[n-]2)cc1	ZINC000609489150	363499170	/nfs/dbraw/zinc/49/91/70/363499170.db2.gz	QSHDINDFGDHWSA-UHFFFAOYSA-N	-1	0	288.336	0.621	20	30		CCEDRM
N#CCN1CCC(NC(=O)N=c2[n-]nc3ccccn32)CC1	ZINC000609810751	363518711	/nfs/dbraw/zinc/51/87/11/363518711.db2.gz	BICHAIUHEUPFGY-UHFFFAOYSA-N	-1	0	299.338	0.261	20	30		CCEDRM
Cn1cc(C#N)c(=NC(=O)NCCCOC(F)F)[n-]1	ZINC000619789239	366354577	/nfs/dbraw/zinc/35/45/77/366354577.db2.gz	BRRLRYMLXHBBTC-UHFFFAOYSA-N	-1	0	273.243	0.464	20	30		CCEDRM
Cn1ncc(C(=O)N=c2nc3ccccn3[n-]2)c1C#N	ZINC000359893678	356916631	/nfs/dbraw/zinc/91/66/31/356916631.db2.gz	BHQQLIFQTTYBTM-UHFFFAOYSA-N	-1	0	267.252	0.009	20	30		CCEDRM
Cn1cc(C#N)c(=NC(=O)c2c3ccccc3nn2C)[n-]1	ZINC000361863125	357050862	/nfs/dbraw/zinc/05/08/62/357050862.db2.gz	SZWKCJZHNAOWHT-UHFFFAOYSA-N	-1	0	280.291	0.853	20	30		CCEDRM
Cn1cc(CCCNC(=O)N=c2[n-]n(C)cc2C#N)cn1	ZINC000610562888	363577679	/nfs/dbraw/zinc/57/76/79/363577679.db2.gz	JQALPFWBKWLFNB-UHFFFAOYSA-N	-1	0	287.327	0.201	20	30		CCEDRM
N#CC[C@@H]1CCCN(S(=O)(=O)c2ncc[n-]2)C1	ZINC000397676532	357771867	/nfs/dbraw/zinc/77/18/67/357771867.db2.gz	RUNJARHCYYSYAQ-VIFPVBQESA-N	-1	0	254.315	0.724	20	30		CCEDRM
C[C@@H](CO[C@H]1CCOC1)NC(=O)N=c1[n-]n(C)cc1C#N	ZINC000610655676	363591470	/nfs/dbraw/zinc/59/14/70/363591470.db2.gz	GSDFSGOPRIGHMP-ONGXEEELSA-N	-1	0	293.327	0.029	20	30		CCEDRM
CCOC(=O)C[C@H](C)NC(=O)N=c1[n-]n(C)cc1C#N	ZINC000610767335	363611528	/nfs/dbraw/zinc/61/15/28/363611528.db2.gz	CDWVTKFLVYVEML-QMMMGPOBSA-N	-1	0	279.300	0.177	20	30		CCEDRM
C=CCOC[C@@H](NC(=O)NCc1cc(C)no1)C(=O)[O-]	ZINC000565342776	358559663	/nfs/dbraw/zinc/55/96/63/358559663.db2.gz	PWSGEWPABIVHNZ-SNVBAGLBSA-N	-1	0	283.284	0.438	20	30		CCEDRM
COCc1n[n-]c(=NC2CCN(CC#N)CC2)s1	ZINC000610784742	363614012	/nfs/dbraw/zinc/61/40/12/363614012.db2.gz	VIXBSCBMWJWEJM-UHFFFAOYSA-N	-1	0	267.358	0.506	20	30		CCEDRM
C=C(C)CS(=O)(=O)N[C@H](Cc1ccco1)C(=O)[O-]	ZINC000571766779	358925667	/nfs/dbraw/zinc/92/56/67/358925667.db2.gz	LOGDTFGSXCHBHY-SNVBAGLBSA-N	-1	0	273.310	0.771	20	30		CCEDRM
C[C@H]1CCN(S(=O)(=O)c2ccc(C#N)o2)C[C@@H]1C(=O)[O-]	ZINC000573120258	358940780	/nfs/dbraw/zinc/94/07/80/358940780.db2.gz	JYGRYGHXGDJJMG-WPRPVWTQSA-N	-1	0	298.320	0.883	20	30		CCEDRM
N#Cc1cscc1C(=O)NC1(c2nnn[n-]2)CC1	ZINC000562852197	291172066	/nfs/dbraw/zinc/17/20/66/291172066.db2.gz	LEWSIOBBMPIWMZ-UHFFFAOYSA-N	-1	0	260.282	0.552	20	30		CCEDRM
C=CCC[C@H](NS(=O)(=O)c1ccoc1)C(=O)[O-]	ZINC000582316778	359135003	/nfs/dbraw/zinc/13/50/03/359135003.db2.gz	URACQUPVPHDMKH-VIFPVBQESA-N	-1	0	259.283	0.977	20	30		CCEDRM
C=C[C@H](C(=O)OC)N1CCC[C@@H](c2n[nH]c(=O)[n-]2)C1	ZINC000588973854	359354305	/nfs/dbraw/zinc/35/43/05/359354305.db2.gz	JUECWFXSVVDDPC-RKDXNWHRSA-N	-1	0	266.301	0.417	20	30		CCEDRM
CCc1nc(C)c(CNC(=O)N=c2[n-]n(C)cc2C#N)o1	ZINC000590121851	359425132	/nfs/dbraw/zinc/42/51/32/359425132.db2.gz	WZYITUVKQLTUIN-UHFFFAOYSA-N	-1	0	288.311	0.894	20	30		CCEDRM
Cc1ccoc1CNC(=O)N=c1[n-]n(C)cc1C#N	ZINC000590121312	359425588	/nfs/dbraw/zinc/42/55/88/359425588.db2.gz	CSCFVHCGVAPVJU-UHFFFAOYSA-N	-1	0	259.269	0.937	20	30		CCEDRM
COC(=O)c1ccc(=NC(=O)c2cccc(C#N)n2)[n-]n1	ZINC000589797114	359402222	/nfs/dbraw/zinc/40/22/22/359402222.db2.gz	JZSBUKQCSZHZIX-UHFFFAOYSA-N	-1	0	283.247	0.204	20	30		CCEDRM
CCOC1(C)CN(C(=O)N=c2[n-]n(C)cc2C#N)C1	ZINC000590819653	359526781	/nfs/dbraw/zinc/52/67/81/359526781.db2.gz	PVKKTRCCZPWYOV-UHFFFAOYSA-N	-1	0	263.301	0.356	20	30		CCEDRM
COC[C@H]1CCCCN1C(=O)N=c1[n-]n(C)cc1C#N	ZINC000590822529	359527105	/nfs/dbraw/zinc/52/71/05/359527105.db2.gz	WDWOMQKHEMYVFB-LLVKDONJSA-N	-1	0	277.328	0.746	20	30		CCEDRM
N#Cc1ccc(N2CC[C@H](n3cc(C(=O)[O-])nn3)C2)cn1	ZINC000591687390	359639636	/nfs/dbraw/zinc/63/96/36/359639636.db2.gz	YZTMHKVYSCRVOQ-NSHDSACASA-N	-1	0	284.279	0.694	20	30		CCEDRM
N#CC1(CNC(=O)NCC2(C(=O)[O-])CCOCC2)CC1	ZINC000592212645	359801256	/nfs/dbraw/zinc/80/12/56/359801256.db2.gz	ZJDOVOVCAAXUMU-UHFFFAOYSA-N	-1	0	281.312	0.471	20	30		CCEDRM
Cn1cc(C#N)c(=NC(=O)N[C@@]2(C)CCCOC2)[n-]1	ZINC000611322768	363707027	/nfs/dbraw/zinc/70/70/27/363707027.db2.gz	FSVFGRAVBGXNQX-LBPRGKRZSA-N	-1	0	263.301	0.404	20	30		CCEDRM
CC#CC[C@@H](CO)NC(=O)c1cccc([N+](=O)[O-])c1[O-]	ZINC000592922462	359981980	/nfs/dbraw/zinc/98/19/80/359981980.db2.gz	BECSLKCJLCTGRE-VIFPVBQESA-N	-1	0	278.264	0.805	20	30		CCEDRM
N#CCCCS(=O)(=O)N[C@H](Cc1ccncc1)C(=O)[O-]	ZINC000593945092	360221234	/nfs/dbraw/zinc/22/12/34/360221234.db2.gz	GIAFKXSAMKROKQ-LLVKDONJSA-N	-1	0	297.336	0.300	20	30		CCEDRM
N#CC1(CS(=O)(=O)N[C@@H](CCF)C(=O)[O-])CCCC1	ZINC000594573972	360332777	/nfs/dbraw/zinc/33/27/77/360332777.db2.gz	RQUVOZFDGHBGHE-VIFPVBQESA-N	-1	0	292.332	0.803	20	30		CCEDRM
C[C@@H](CNC(=O)NCCOc1ccc(C#N)cc1)C(=O)[O-]	ZINC000594527792	360326396	/nfs/dbraw/zinc/32/63/96/360326396.db2.gz	GRYQAJOYLKCPJU-JTQLQIEISA-N	-1	0	291.307	0.957	20	30		CCEDRM
C[C@@H]1CCN(C(=O)N=c2[n-]n(C)cc2C#N)C[C@H]1F	ZINC000611503769	363728284	/nfs/dbraw/zinc/72/82/84/363728284.db2.gz	IVEMQVADRAXALH-PSASIEDQSA-N	-1	0	265.292	0.925	20	30		CCEDRM
C=CCCSCCNS(=O)(=O)N(C)CCC(=O)[O-]	ZINC000594720587	360367104	/nfs/dbraw/zinc/36/71/04/360367104.db2.gz	QOERZRCVCSAIHO-UHFFFAOYSA-N	-1	0	296.414	0.537	20	30		CCEDRM
CC1(C#N)CN(S(=O)(=O)c2ccccc2[O-])C1	ZINC000594773171	360380529	/nfs/dbraw/zinc/38/05/29/360380529.db2.gz	WMALQHTYHBVWRO-UHFFFAOYSA-N	-1	0	252.295	0.926	20	30		CCEDRM
N#CC1(CNC(=O)C(=O)Nc2cccnc2C(=O)[O-])CC1	ZINC000595238838	360454447	/nfs/dbraw/zinc/45/44/47/360454447.db2.gz	YUTLACIJDUKCHY-UHFFFAOYSA-N	-1	0	288.263	0.138	20	30		CCEDRM
C=CCCSCCNC(=O)Cn1cc(C(=O)[O-])nn1	ZINC000595243987	360455260	/nfs/dbraw/zinc/45/52/60/360455260.db2.gz	FOUVCOANSPSDEV-UHFFFAOYSA-N	-1	0	284.341	0.402	20	30		CCEDRM
CC(C)[C@](C)(C#N)NC(=O)[C@@H](C)N(C)Cc1n[n-]c(=O)o1	ZINC000595547778	360576004	/nfs/dbraw/zinc/57/60/04/360576004.db2.gz	RWRDXGJGDHANMA-RNCFNFMXSA-N	-1	0	295.343	0.650	20	30		CCEDRM
CC(C)(C(=O)[O-])n1cc(Nc2ccc(C#N)nn2)cn1	ZINC000595977334	360753457	/nfs/dbraw/zinc/75/34/57/360753457.db2.gz	GAJDZTVBWIHPTH-UHFFFAOYSA-N	-1	0	272.268	0.530	20	30		CCEDRM
COC(=O)c1ccc(N(C)CCC(=O)[O-])c(C#N)n1	ZINC000595966575	360741591	/nfs/dbraw/zinc/74/15/91/360741591.db2.gz	QKEUYDLFODAUFS-UHFFFAOYSA-N	-1	0	263.253	0.651	20	30		CCEDRM
CO[C@@](C)(CO)CN=c1[n-]c(C#N)c(Cl)s1	ZINC000596291112	360871395	/nfs/dbraw/zinc/87/13/95/360871395.db2.gz	GUKYTALJVXXCQA-SECBINFHSA-N	-1	0	261.734	0.899	20	30		CCEDRM
CCN(CCC#N)C(=O)c1cc(S(N)(=O)=O)ccc1[O-]	ZINC000596891516	360974399	/nfs/dbraw/zinc/97/43/99/360974399.db2.gz	UUIFCJHQHPWGMB-UHFFFAOYSA-N	-1	0	297.336	0.415	20	30		CCEDRM
N#CC1(CC(=O)N=c2cc(C(N)=O)[n-][nH]2)CCCCC1	ZINC000597398823	361086950	/nfs/dbraw/zinc/08/69/50/361086950.db2.gz	MGAITFOWECVBAH-UHFFFAOYSA-N	-1	0	275.312	0.733	20	30		CCEDRM
CO[C@@H]1CC[C@H](C(=O)N=c2[n-]n(C)c(C)c2C#N)C1	ZINC000598843107	361524712	/nfs/dbraw/zinc/52/47/12/361524712.db2.gz	JRINWKXIIYMCDH-VHSXEESVSA-N	-1	0	262.313	0.776	20	30		CCEDRM
C=CC[C@@H](CC)[N-]S(=O)(=O)c1nn(C)cc1[N+](=O)[O-]	ZINC000599297901	361642048	/nfs/dbraw/zinc/64/20/48/361642048.db2.gz	RNWWFUXXNCWAMR-MRVPVSSYSA-N	-1	0	288.329	0.961	20	30		CCEDRM
C=CCCC[C@@H](C)NC(=O)C(=O)NC[C@@H](C)C(=O)[O-]	ZINC000655986721	412726250	/nfs/dbraw/zinc/72/62/50/412726250.db2.gz	HHCWRYHBRFRTDO-NXEZZACHSA-N	-1	0	270.329	0.684	20	30		CCEDRM
C=CCN(CC=C)C(=O)C(=O)NC[C@@H](C(=O)[O-])C(C)C	ZINC000656009592	412731898	/nfs/dbraw/zinc/73/18/98/412731898.db2.gz	DKRXJPLHJOHTAN-LLVKDONJSA-N	-1	0	282.340	0.660	20	30		CCEDRM
COCCC[N@H+](C)CCNC(=O)c1cc(O)cc(C#N)c1	ZINC000614370107	364586367	/nfs/dbraw/zinc/58/63/67/364586367.db2.gz	CGEUCFMSMGRMHX-UHFFFAOYSA-N	-1	0	291.351	0.962	20	30		CCEDRM
Cn1cc(C#N)c(=NC(=O)N2CCO[C@@H](C3CC3)C2)[n-]1	ZINC000614430857	364604782	/nfs/dbraw/zinc/60/47/82/364604782.db2.gz	NVRVKUKABWCKSI-LLVKDONJSA-N	-1	0	275.312	0.356	20	30		CCEDRM
N#Cc1cc(NCc2nnn[n-]2)nc2ccc([N+](=O)[O-])cc12	ZINC000615492974	364978016	/nfs/dbraw/zinc/97/80/16/364978016.db2.gz	VETUOJKIWDZCPX-UHFFFAOYSA-N	-1	0	296.250	0.562	20	30		CCEDRM
C=CCCCCCNC(=O)CC[C@@H]1NC(=O)NC1=O	ZINC000616697638	365431226	/nfs/dbraw/zinc/43/12/26/365431226.db2.gz	BSNYWVNODFJJKX-JTQLQIEISA-N	-1	0	267.329	0.837	20	30		CCEDRM
C=C(C)CS(=O)(=O)N[C@@H](C[C@@H]1CCCOC1)C(=O)[O-]	ZINC000629338558	369635396	/nfs/dbraw/zinc/63/53/96/369635396.db2.gz	PHBDDSPNIPMZNL-QWRGUYRKSA-N	-1	0	291.369	0.752	20	30		CCEDRM
C=C(C)CN(CC)C(=O)C(=O)N1CC[C@H](C(=O)[O-])[C@@H](C)C1	ZINC000629773678	369772558	/nfs/dbraw/zinc/77/25/58/369772558.db2.gz	QPBXBQCFBFQYKR-RYUDHWBXSA-N	-1	0	296.367	0.980	20	30		CCEDRM
C=CC[C@@H]1CCN(C(=O)C(=O)N(C)CCC(=O)[O-])C1	ZINC000629778812	369773806	/nfs/dbraw/zinc/77/38/06/369773806.db2.gz	GPKGTTWHISOWSU-SNVBAGLBSA-N	-1	0	268.313	0.344	20	30		CCEDRM
C=CCOC[C@H](NC(=O)c1cnn(C2CC2)c1)C(=O)[O-]	ZINC000630186243	369995847	/nfs/dbraw/zinc/99/58/47/369995847.db2.gz	MBZZQRIVOJADAR-NSHDSACASA-N	-1	0	279.296	0.604	20	30		CCEDRM
C=CCOCCCNC(=O)CC1(C(=O)[O-])CCOCC1	ZINC000630206961	370007785	/nfs/dbraw/zinc/00/77/85/370007785.db2.gz	ICDWJUWBTJIQSU-UHFFFAOYSA-N	-1	0	285.340	0.967	20	30		CCEDRM
C=C(C)[C@H]1OCC[C@@H]1CNC(=O)c1cc(C(=O)[O-])nn1C	ZINC000630303155	370037810	/nfs/dbraw/zinc/03/78/10/370037810.db2.gz	QMMUTOWVMXYDGV-BXKDBHETSA-N	-1	0	293.323	0.829	20	30		CCEDRM
C=C[C@@H]1CCCCN1C(=O)Cn1cc(C(=O)[O-])nn1	ZINC000630302597	370037895	/nfs/dbraw/zinc/03/78/95/370037895.db2.gz	YMIVSYSPQZOEHJ-SECBINFHSA-N	-1	0	264.285	0.543	20	30		CCEDRM
C=C(C)C[C@@H](NC(=O)Cn1cc(C)cn1)C(=O)[O-]	ZINC000630316761	370044765	/nfs/dbraw/zinc/04/47/65/370044765.db2.gz	HLYUZNIITWATKS-SNVBAGLBSA-N	-1	0	251.286	0.727	20	30		CCEDRM
C=CCOC[C@@H](NC(=O)c1ncoc1CC)C(=O)[O-]	ZINC000630185368	369995235	/nfs/dbraw/zinc/99/52/35/369995235.db2.gz	ANULDJHBVDSJKJ-MRVPVSSYSA-N	-1	0	268.269	0.623	20	30		CCEDRM
C=C(C)C[C@@H](NS(=O)(=O)CC[C@H]1CCOC1)C(=O)[O-]	ZINC000630438604	370117297	/nfs/dbraw/zinc/11/72/97/370117297.db2.gz	SVZFNKHQCTVUNB-GHMZBOCLSA-N	-1	0	291.369	0.752	20	30		CCEDRM
CC(=O)C1(NS(=O)(=O)CC(C)(C)CC#N)CC1	ZINC000632448586	371073140	/nfs/dbraw/zinc/07/31/40/371073140.db2.gz	DRMCSEPWOLRMFB-UHFFFAOYSA-N	-1	0	258.343	0.967	20	30		CCEDRM
C=CCN([C@@H](C)COC)S(=O)(=O)c1ncc[n-]1	ZINC000632547169	371132677	/nfs/dbraw/zinc/13/26/77/371132677.db2.gz	BIAMDGNAZNLDNZ-VIFPVBQESA-N	-1	0	259.331	0.621	20	30		CCEDRM
COC[C@@H](C(=O)[O-])N(C)S(=O)(=O)CC1(CC#N)CC1	ZINC000574403924	335017107	/nfs/dbraw/zinc/01/71/07/335017107.db2.gz	ITSDQKBVSZLBNI-VIFPVBQESA-N	-1	0	290.341	0.041	20	30		CCEDRM
C=C(C)C[C@@H](NS(=O)(=O)C[C@@H](C)OC)C(=O)[O-]	ZINC000634654805	372127123	/nfs/dbraw/zinc/12/71/23/372127123.db2.gz	VMWRZDCWEXKAJF-RKDXNWHRSA-N	-1	0	265.331	0.360	20	30		CCEDRM
CCC(CC)c1n[n-]c(=NC(=O)NCC#CCO)s1	ZINC000639502097	375812619	/nfs/dbraw/zinc/81/26/19/375812619.db2.gz	YLTCFBUYZAZKEN-UHFFFAOYSA-N	-1	0	282.369	0.981	20	30		CCEDRM
N#Cc1cncc(S(=O)(=O)N2CCC[C@H](C(=O)[O-])C2)c1	ZINC000261662497	190042452	/nfs/dbraw/zinc/04/24/52/190042452.db2.gz	FGDLDVSOJXKGQC-JTQLQIEISA-N	-1	0	295.320	0.439	20	30		CCEDRM
CCCN(CC(=O)[O-])S(=O)(=O)c1ccc(C#N)o1	ZINC000262243209	190051189	/nfs/dbraw/zinc/05/11/89/190051189.db2.gz	APWLHRHIVOFOHU-UHFFFAOYSA-N	-1	0	272.282	0.637	20	30		CCEDRM
C=CCCO[C@@H](C)C(=O)N(C)Cc1nc(=O)o[n-]1	ZINC000640453313	376370591	/nfs/dbraw/zinc/37/05/91/376370591.db2.gz	YIAFJCDCLMSMAL-QMMMGPOBSA-N	-1	0	255.274	0.303	20	30		CCEDRM
C=CCCO[C@H](C)C(=O)N1CC[C@](COC)(C(=O)[O-])C1	ZINC000263019293	190065887	/nfs/dbraw/zinc/06/58/87/190065887.db2.gz	NSZSETPFVFDCNL-RISCZKNCSA-N	-1	0	285.340	0.917	20	30		CCEDRM
C=CCCOCC(=O)[N-]S(=O)(=O)[C@@H](C)COC	ZINC000733719079	581520705	/nfs/dbraw/zinc/52/07/05/581520705.db2.gz	HFGUNYSVJYBTCR-VIFPVBQESA-N	-1	0	265.331	0.060	20	30		CCEDRM
CSc1[n-]c(=O)c(C(=O)NC[C@@H](O)C(C)C)cc1C#N	ZINC000134218005	284849367	/nfs/dbraw/zinc/84/93/67/284849367.db2.gz	YVSKKZCCWMPJQO-SNVBAGLBSA-N	-1	0	295.364	0.715	20	30		CCEDRM
CCOC(=O)c1cc(=NC(=O)[C@@]2(C#N)C[C@H]2C)[nH][n-]1	ZINC000574841652	335051888	/nfs/dbraw/zinc/05/18/88/335051888.db2.gz	RNRXIFCLULYCHJ-JMCQJSRRSA-N	-1	0	262.269	0.497	20	30		CCEDRM
N#Cc1ccc(CS(=O)(=O)N2CCC[C@@H]2C(=O)[O-])cc1	ZINC000021514026	388795636	/nfs/dbraw/zinc/79/56/36/388795636.db2.gz	ZZLUDQGZQWCYNM-GFCCVEGCSA-N	-1	0	294.332	0.937	20	30		CCEDRM
C#CCN(CC#C)S(=O)(=O)c1cc(C(=O)[O-])n(CC)c1	ZINC000185039196	388782977	/nfs/dbraw/zinc/78/29/77/388782977.db2.gz	HDEOCTANHOXJLA-UHFFFAOYSA-N	-1	0	294.332	0.463	20	30		CCEDRM
C#C[C@H](NC(=O)c1cnc([O-])n(C)c1=O)C(C)(C)C	ZINC000288016067	388857551	/nfs/dbraw/zinc/85/75/51/388857551.db2.gz	BNWOIAUSRXBHER-VIFPVBQESA-N	-1	0	263.297	0.264	20	30		CCEDRM
CCN(C[C@H](C)C#N)C(=O)CSc1n[nH]c(=O)[n-]1	ZINC000187015186	260026006	/nfs/dbraw/zinc/02/60/06/260026006.db2.gz	CJKAQMKDMTUUEA-SSDOTTSWSA-N	-1	0	269.330	0.611	20	30		CCEDRM
C=CCCCS(=O)(=O)N1CCO[C@H](C)[C@H]1C(=O)[O-]	ZINC000291940886	388942846	/nfs/dbraw/zinc/94/28/46/388942846.db2.gz	YCZMSRPQPGIXOB-ZJUUUORDSA-N	-1	0	277.342	0.456	20	30		CCEDRM
O=C(NCC#CCO)c1nn(-c2ccccc2F)cc1[O-]	ZINC000339390075	389132483	/nfs/dbraw/zinc/13/24/83/389132483.db2.gz	GESCPDYQBLFNRE-UHFFFAOYSA-N	-1	0	289.266	0.443	20	30		CCEDRM
N#C[C@@]1(NC(=O)c2cc([O-])cc([N+](=O)[O-])c2)CCOC1	ZINC000358437596	389150040	/nfs/dbraw/zinc/15/00/40/389150040.db2.gz	FMPNVMFAURUJPE-LBPRGKRZSA-N	-1	0	277.236	0.713	20	30		CCEDRM
Cn1cccc(N=C([O-])CCN2CCCS2(=O)=O)c1=O	ZINC000329712933	389191170	/nfs/dbraw/zinc/19/11/70/389191170.db2.gz	QTGHSSLFZZZYBY-UHFFFAOYSA-N	-1	0	299.352	0.399	20	30		CCEDRM
CSc1nc(=NC(=O)N2CC(=O)N(C)C2)s[n-]1	ZINC000329305501	389156045	/nfs/dbraw/zinc/15/60/45/389156045.db2.gz	YIMTYVIEPOSOGM-UHFFFAOYSA-N	-1	0	273.343	0.537	20	30		CCEDRM
N#Cc1cc(Cl)ccc1S(=O)(=O)NCCC(=O)[O-]	ZINC000340448937	389158246	/nfs/dbraw/zinc/15/82/46/389158246.db2.gz	ANMBSDWWOOTPNT-UHFFFAOYSA-N	-1	0	288.712	0.965	20	30		CCEDRM
O=C(Nc1nnc2n1CCCC2)c1cccn2c([O-])nnc12	ZINC000329520758	389168171	/nfs/dbraw/zinc/16/81/71/389168171.db2.gz	QMQHENOKWBJXOY-UHFFFAOYSA-N	-1	0	299.294	0.999	20	30		CCEDRM
CN=c1[n-]nc(CC(=O)N2CCC(F)(C#N)CC2)s1	ZINC000359343179	389171590	/nfs/dbraw/zinc/17/15/90/389171590.db2.gz	AVXLTIZKNYHCDA-UHFFFAOYSA-N	-1	0	283.332	0.398	20	30		CCEDRM
N#CC1(CS(=O)(=O)N[C@H]2CCO[C@H]2C2CC2)CC1	ZINC000329597931	389174433	/nfs/dbraw/zinc/17/44/33/389174433.db2.gz	CVOKFJDNLGOMCW-QWRGUYRKSA-N	-1	0	270.354	0.777	20	30		CCEDRM
C=CC[C@H](C)NC(=O)C(=O)N=c1ccc(OC(C)C)n[n-]1	ZINC000342333629	389210522	/nfs/dbraw/zinc/21/05/22/389210522.db2.gz	GZHKJDAPQVITRW-JTQLQIEISA-N	-1	0	292.339	0.705	20	30		CCEDRM
C[C@H]1CCCN(S(=O)(=O)CC2(C#N)CC2)[C@H]1C(=O)[O-]	ZINC000331901738	389315353	/nfs/dbraw/zinc/31/53/53/389315353.db2.gz	BZLIWPPJEBLGMJ-VHSXEESVSA-N	-1	0	286.353	0.805	20	30		CCEDRM
C[C@@](C#N)(NC(=O)CSc1n[nH]c(=O)[n-]1)C1CC1	ZINC000187645738	260043237	/nfs/dbraw/zinc/04/32/37/260043237.db2.gz	FOXHHHGBXDNRLB-JTQLQIEISA-N	-1	0	267.314	0.411	20	30		CCEDRM
CC#CC[C@@H](NS(=O)(=O)N1CCCCCC1)C(=O)[O-]	ZINC000274932701	389507182	/nfs/dbraw/zinc/50/71/82/389507182.db2.gz	CTJWEALTJOBPPT-LLVKDONJSA-N	-1	0	288.369	0.563	20	30		CCEDRM
CN(C)c1n[nH]c([N-]S(=O)(=O)c2ccc(C#N)cc2)n1	ZINC000351159140	389566899	/nfs/dbraw/zinc/56/68/99/389566899.db2.gz	BDDYDJKJWNIITP-UHFFFAOYSA-N	-1	0	292.324	0.543	20	30		CCEDRM
C=C[C@@H](CO)NC(=O)c1cc(=O)n(-c2ccc(C)cc2)[n-]1	ZINC000426844499	389678448	/nfs/dbraw/zinc/67/84/48/389678448.db2.gz	CLCJZSGDQCTTHF-NSHDSACASA-N	-1	0	287.319	0.751	20	30		CCEDRM
Cc1[n-][nH]c(=NC(=O)c2cccc(C(N)=O)c2)c1C#N	ZINC000431690781	389864736	/nfs/dbraw/zinc/86/47/36/389864736.db2.gz	LCJTXTCOPGRGJE-UHFFFAOYSA-N	-1	0	269.264	0.363	20	30		CCEDRM
C=C(C)[C@H]1OCC[C@@H]1CNC(=O)Cc1n[n-]c(=NC)s1	ZINC000437526632	389993890	/nfs/dbraw/zinc/99/38/90/389993890.db2.gz	SABRUCSRMUXDQA-BXKDBHETSA-N	-1	0	296.396	0.642	20	30		CCEDRM
C=CC[C@@H](CC)NC(=O)C(=O)N1CCC[C@@H](C(=O)[O-])C1	ZINC000420556065	390012309	/nfs/dbraw/zinc/01/23/09/390012309.db2.gz	JJSSYUMRYSZLRJ-GHMZBOCLSA-N	-1	0	282.340	0.781	20	30		CCEDRM
C#CCO[N-]C(=O)[C@H](C)NC(=O)/C=C/c1ccccc1	ZINC000493024620	390118771	/nfs/dbraw/zinc/11/87/71/390118771.db2.gz	NLLYFNLURHZUBO-VMPCVLLUSA-N	-1	0	272.304	0.886	20	30		CCEDRM
C#C[C@H](NC(=O)c1c[n-]n2c1nccc2=O)C(C)(C)C	ZINC000491462331	390113689	/nfs/dbraw/zinc/11/36/89/390113689.db2.gz	IEZSXQQQCZFPAN-JTQLQIEISA-N	-1	0	272.308	0.800	20	30		CCEDRM
C=C[C@H](CCC(=O)[O-])NS(=O)(=O)C[C@@H]1CCCO1	ZINC000579562015	390184707	/nfs/dbraw/zinc/18/47/07/390184707.db2.gz	WSCHFZFXLRUOBD-ZJUUUORDSA-N	-1	0	277.342	0.504	20	30		CCEDRM
N#Cc1cncc(S(=O)(=O)[N-]C(=O)/C=C\C2CC2)c1	ZINC000493247247	390121540	/nfs/dbraw/zinc/12/15/40/390121540.db2.gz	CKZMYTXIQBSJSD-ARJAWSKDSA-N	-1	0	277.305	0.724	20	30		CCEDRM
CC#CCS(=O)(=O)[N-]C(=O)/C=C\c1cnn(C)c1C	ZINC000493778409	390127610	/nfs/dbraw/zinc/12/76/10/390127610.db2.gz	BPCVCUAOIPDKMN-SREVYHEPSA-N	-1	0	281.337	0.211	20	30		CCEDRM
CC[C@@H](CCC(=O)[O-])NS(=O)(=O)CC1(C#N)CC1	ZINC000579081137	390139251	/nfs/dbraw/zinc/13/92/51/390139251.db2.gz	ISFLFXLRQLUOLP-VIFPVBQESA-N	-1	0	274.342	0.853	20	30		CCEDRM
C=CCn1cc(C(=O)N2CCC[C@@]2(COC)C(=O)[O-])nn1	ZINC000647743105	390156381	/nfs/dbraw/zinc/15/63/81/390156381.db2.gz	YGLGMGOUFVZJEZ-CYBMUJFWSA-N	-1	0	294.311	0.170	20	30		CCEDRM
CCCN(CCC)C(=O)Cn1c(=O)[n-]cc(C#N)c1=O	ZINC000579352506	390164219	/nfs/dbraw/zinc/16/42/19/390164219.db2.gz	DRKPZPFNUVJAFP-UHFFFAOYSA-N	-1	0	278.312	0.057	20	30		CCEDRM
C=CCC1(C(=O)Nc2ncn(CC(=O)[O-])n2)CCOCC1	ZINC000647784194	390171576	/nfs/dbraw/zinc/17/15/76/390171576.db2.gz	LXAUFELNBRHTSD-UHFFFAOYSA-N	-1	0	294.311	0.674	20	30		CCEDRM
C[C@H](CCCC(=O)[O-])NS(=O)(=O)N(C)[C@@H](C)CC#N	ZINC000580333687	390240402	/nfs/dbraw/zinc/24/04/02/390240402.db2.gz	XWXMNCYAUVZRIR-ZJUUUORDSA-N	-1	0	291.373	0.698	20	30		CCEDRM
CC#CC[C@@H](NS(=O)(=O)c1cn(CC)cn1)C(=O)[O-]	ZINC000543790350	390293639	/nfs/dbraw/zinc/29/36/39/390293639.db2.gz	IGHYNIWQJPMMAE-SECBINFHSA-N	-1	0	285.325	0.048	20	30		CCEDRM
C=CCCCS(=O)(=O)N[C@@H](C[C@H]1CCOC1)C(=O)[O-]	ZINC000644629113	390269822	/nfs/dbraw/zinc/26/98/22/390269822.db2.gz	DDRDQMSESRXZJZ-MNOVXSKESA-N	-1	0	291.369	0.752	20	30		CCEDRM
N#Cc1ccc(S(=O)(=O)N[C@@H](C(=O)[O-])C2CC2)c(F)c1	ZINC000547891367	390407500	/nfs/dbraw/zinc/40/75/00/390407500.db2.gz	FJSYYMFTPMVXPP-LLVKDONJSA-N	-1	0	298.295	0.839	20	30		CCEDRM
C=C(C)[C@H]1OCC[C@H]1CNC(=O)NC1(C(=O)[O-])CC1	ZINC000562975990	390492074	/nfs/dbraw/zinc/49/20/74/390492074.db2.gz	ZQIMVWNTUULLSJ-VHSXEESVSA-N	-1	0	268.313	0.884	20	30		CCEDRM
CCOC(=O)N[C@H](C(=O)N=c1[nH][n-]c(C)c1C#N)C(C)C	ZINC000497263788	390446072	/nfs/dbraw/zinc/44/60/72/390446072.db2.gz	LCTOTIQCKIKWAC-JTQLQIEISA-N	-1	0	293.327	0.721	20	30		CCEDRM
C=C(C)CS(=O)(=O)N(CCOCC)C[C@H](C)C(=O)[O-]	ZINC000514934696	390470663	/nfs/dbraw/zinc/47/06/63/390470663.db2.gz	PXPQCQLVYCUUNK-NSHDSACASA-N	-1	0	293.385	0.952	20	30		CCEDRM
C=CCN=c1[n-]nc(SC[C@H]2CNC(=O)C2)s1	ZINC000565963060	390564052	/nfs/dbraw/zinc/56/40/52/390564052.db2.gz	OBSSPUHYJDNMNX-SSDOTTSWSA-N	-1	0	270.383	0.786	20	30		CCEDRM
C=CCOC[C@H](NC(=O)NC[C@@H](OC)C(C)C)C(=O)[O-]	ZINC000570629231	390718855	/nfs/dbraw/zinc/71/88/55/390718855.db2.gz	KPKDGLRSNPQTSR-WDEREUQCSA-N	-1	0	288.344	0.612	20	30		CCEDRM
Cc1cncn1CC(=O)C(C#N)=C([O-])c1nccn1C	ZINC000528967684	390785983	/nfs/dbraw/zinc/78/59/83/390785983.db2.gz	CWBGQJIWBZWACU-SNVBAGLBSA-N	-1	0	271.280	0.517	20	30		CCEDRM
C=CCCS(=O)(=O)N1CC[C@@](OC)(C(=O)[O-])C1	ZINC000530151952	390875436	/nfs/dbraw/zinc/87/54/36/390875436.db2.gz	JKYVVNBLOKNRRP-JTQLQIEISA-N	-1	0	263.315	0.068	20	30		CCEDRM
C=C[C@@](C)(O)C(=O)N=c1nc(C2(C)CC2)[n-]s1	ZINC000529700806	390852786	/nfs/dbraw/zinc/85/27/86/390852786.db2.gz	LHVWINBOLBWTNJ-LLVKDONJSA-N	-1	0	253.327	0.887	20	30		CCEDRM
Cc1[n-][nH]c(=NC(=O)c2cnn(-c3cccnc3)c2)c1C#N	ZINC000357266685	144076687	/nfs/dbraw/zinc/07/66/87/144076687.db2.gz	YJMHJKUXSGYSLV-UHFFFAOYSA-N	-1	0	293.290	0.845	20	30		CCEDRM
CC(C)n1cc(C#N)c(=NC(=O)C(=O)N[C@H]2CC2(C)C)[n-]1	ZINC000359127923	144195751	/nfs/dbraw/zinc/19/57/51/144195751.db2.gz	BKWUXQURRSULNJ-JTQLQIEISA-N	-1	0	289.339	0.611	20	30		CCEDRM
C=CCCO[C@H](C)C(=O)N=c1ccc(C(=O)NC)n[n-]1	ZINC000650816267	397765305	/nfs/dbraw/zinc/76/53/05/397765305.db2.gz	PZZAIOIONIWTFZ-SECBINFHSA-N	-1	0	278.312	0.178	20	30		CCEDRM
C=CCOC[C@H](NC(=O)C[C@H](C)[C@@H]1CCCO1)C(=O)[O-]	ZINC000659156548	413318781	/nfs/dbraw/zinc/31/87/81/413318781.db2.gz	NAQIQNOVMOFOIF-SRVKXCTJSA-N	-1	0	285.340	0.964	20	30		CCEDRM
C=CCn1cc(C(=O)N2CC3CC2(C(=O)[O-])C3)nn1	ZINC000659180339	413332646	/nfs/dbraw/zinc/33/26/46/413332646.db2.gz	VQMPNOBFWWBDHT-UHFFFAOYSA-N	-1	0	262.269	0.153	20	30		CCEDRM
C#Cc1cccc(NS(=O)(=O)CCC(=O)[O-])c1	ZINC000020245586	171098817	/nfs/dbraw/zinc/09/88/17/171098817.db2.gz	NBKBJYVWNIWYBR-UHFFFAOYSA-N	-1	0	253.279	0.884	20	30		CCEDRM
C[C@@H](NS(=O)(=O)Cc1ccccc1C#N)C(=O)[O-]	ZINC000021813890	171331183	/nfs/dbraw/zinc/33/11/83/171331183.db2.gz	KMGUIWWXINKEBV-MRVPVSSYSA-N	-1	0	268.294	0.451	20	30		CCEDRM
C=C[C@@H](CCC(=O)[O-])NS(=O)(=O)c1cccnc1	ZINC000654787537	412438933	/nfs/dbraw/zinc/43/89/33/412438933.db2.gz	AONMWWFEOKEHID-VIFPVBQESA-N	-1	0	270.310	0.779	20	30		CCEDRM
C=CC[C@@H]1CCCC[C@@H]1NC(=O)C(=O)NCCC(=O)[O-]	ZINC000659659113	413758123	/nfs/dbraw/zinc/75/81/23/413758123.db2.gz	QJYFTESCDRFSPK-MNOVXSKESA-N	-1	0	282.340	0.828	20	30		CCEDRM
C=CCOCCNC(=O)C(=O)N1CCC[C@H](CC(=O)[O-])C1	ZINC000659663907	413760368	/nfs/dbraw/zinc/76/03/68/413760368.db2.gz	KGHZGGJYDHDJAT-LLVKDONJSA-N	-1	0	298.339	0.019	20	30		CCEDRM
C[C@@H](NS(=O)(=O)Cc1cccc(C#N)c1)C(=O)[O-]	ZINC000037462462	173224981	/nfs/dbraw/zinc/22/49/81/173224981.db2.gz	YAJMZYPPPYOKFY-MRVPVSSYSA-N	-1	0	268.294	0.451	20	30		CCEDRM
CN(CC(=O)[O-])S(=O)(=O)Cc1cccc(C#N)c1	ZINC000037461897	173224983	/nfs/dbraw/zinc/22/49/83/173224983.db2.gz	PNXDLFSDGRBQCR-UHFFFAOYSA-N	-1	0	268.294	0.404	20	30		CCEDRM
C=CCN(C)C(=O)C(=O)N1CCC(CCC(=O)[O-])CC1	ZINC000662903524	414883465	/nfs/dbraw/zinc/88/34/65/414883465.db2.gz	WPWBIXNLSDUZAR-UHFFFAOYSA-N	-1	0	282.340	0.734	20	30		CCEDRM
C=CCOCCNC(=O)c1ccnc(C(=O)[O-])c1	ZINC000310715331	545011195	/nfs/dbraw/zinc/01/11/95/545011195.db2.gz	NGRAGYSMZXFVQG-UHFFFAOYSA-N	-1	0	250.254	0.712	20	30		CCEDRM
C=CCCCCNC(=O)N1CCO[C@H](C(=O)[O-])C1	ZINC000311013646	545011624	/nfs/dbraw/zinc/01/16/24/545011624.db2.gz	MHOCRRXOXZLKQA-JTQLQIEISA-N	-1	0	256.302	0.838	20	30		CCEDRM
C=CCOc1ccccc1C(=O)NC[C@@](C)(O)C(=O)[O-]	ZINC000090274821	260252050	/nfs/dbraw/zinc/25/20/50/260252050.db2.gz	KIQGYJYXVDZOKR-CQSZACIVSA-N	-1	0	279.292	0.817	20	30		CCEDRM
N#C[C@H]1COCCN1C(=O)c1cccc([N+](=O)[O-])c1[O-]	ZINC000178452557	261743736	/nfs/dbraw/zinc/74/37/36/261743736.db2.gz	OJFYEDWSRKNCHM-QMMMGPOBSA-N	-1	0	277.236	0.665	20	30		CCEDRM
C=CCCCC(=O)N1CCO[C@@H](c2nnn[n-]2)C1	ZINC000364362771	262217937	/nfs/dbraw/zinc/21/79/37/262217937.db2.gz	WBGTXTOPESVPLV-SECBINFHSA-N	-1	0	251.290	0.456	20	30		CCEDRM
CCN(CC#N)S(=O)(=O)c1cc(C(=O)[O-])ccc1OC	ZINC000273653757	263018692	/nfs/dbraw/zinc/01/86/92/263018692.db2.gz	GXRSJMJGAWYCMH-UHFFFAOYSA-N	-1	0	298.320	0.928	20	30		CCEDRM
N#CCCCS(=O)(=O)NCCc1cccc(C(=O)[O-])n1	ZINC000281950528	263073316	/nfs/dbraw/zinc/07/33/16/263073316.db2.gz	SDSUMXPVXKWGFJ-UHFFFAOYSA-N	-1	0	297.336	0.545	20	30		CCEDRM
COC(=O)[C@@H](C/N=C/c1cc([N+](=O)[O-])ccc1[O-])OC	ZINC000291806209	263125682	/nfs/dbraw/zinc/12/56/82/263125682.db2.gz	CHQJNBDOWOZKDA-XXLSNGBASA-N	-1	0	282.252	0.907	20	30		CCEDRM
C[C@H](C#N)CN(C)C(=O)c1cc([N+](=O)[O-])c[nH]c1=O	ZINC000299237719	263236290	/nfs/dbraw/zinc/23/62/90/263236290.db2.gz	HLSCULUWNMSGMG-SSDOTTSWSA-N	-1	0	264.241	0.927	20	30		CCEDRM
Cc1nn(C)cc1S(=O)(=O)[N-]c1ccn(CCC#N)n1	ZINC000340953584	263313257	/nfs/dbraw/zinc/31/32/57/263313257.db2.gz	LLYJPHFJXTYZDF-UHFFFAOYSA-N	-1	0	294.340	0.640	20	30		CCEDRM
CCSc1n[n-]c(=NC(=O)NC[C@H](C)O)s1	ZINC000331164429	264144057	/nfs/dbraw/zinc/14/40/57/264144057.db2.gz	GILUJKQIRUVHLA-YFKPBYRVSA-N	-1	0	262.360	0.779	20	30		CCEDRM
CC(C)Oc1ccc(=NC(=O)NCC(C)(C)O)[n-]n1	ZINC000331184401	264155965	/nfs/dbraw/zinc/15/59/65/264155965.db2.gz	NYVYOJITTYQVNI-UHFFFAOYSA-N	-1	0	268.317	0.783	20	30		CCEDRM
C=C(C)[C@H]1OCC[C@H]1C(=O)NCCc1nc(=O)o[n-]1	ZINC000280162932	264435337	/nfs/dbraw/zinc/43/53/37/264435337.db2.gz	RQDFLWFWEAFPEK-PSASIEDQSA-N	-1	0	267.285	0.003	20	30		CCEDRM
C#CCO[N-]C(=O)CN1c2ccccc2O[C@@H](C)C1=O	ZINC000291200456	264815578	/nfs/dbraw/zinc/81/55/78/264815578.db2.gz	HOPOBQDESGXWQN-JTQLQIEISA-N	-1	0	274.276	0.482	20	30		CCEDRM
C=C[C@@](C)(O)CC(=O)Nc1ccc(-n2nn[n-]c2=O)cc1	ZINC000355972936	266051693	/nfs/dbraw/zinc/05/16/93/266051693.db2.gz	OKNNIYQJVCYLIT-CYBMUJFWSA-N	-1	0	289.295	0.634	20	30		CCEDRM
C[C@@H](C#N)C(=O)Nc1ccc(-n2nn[n-]c2=O)cc1	ZINC000357001382	266229328	/nfs/dbraw/zinc/22/93/28/266229328.db2.gz	SGNRLWIGQZWKLG-ZETCQYMHSA-N	-1	0	258.241	0.466	20	30		CCEDRM
C=CCC(CC=C)C(=O)N1CCO[C@H](c2nnn[n-]2)C1	ZINC000370449395	267319622	/nfs/dbraw/zinc/31/96/22/267319622.db2.gz	KHISYKMRXLZWAD-NSHDSACASA-N	-1	0	277.328	0.868	20	30		CCEDRM
CC(C)[C@@H](CNS(=O)(=O)N(C)[C@H](C)CC#N)C(=O)[O-]	ZINC000581194399	336022696	/nfs/dbraw/zinc/02/26/96/336022696.db2.gz	BOCMITVXVOASLK-NXEZZACHSA-N	-1	0	291.373	0.412	20	30		CCEDRM
N#Cc1ccc(N2CCS(=O)(=O)[C@@H](C(=O)[O-])C2)cc1	ZINC000424470549	303194386	/nfs/dbraw/zinc/19/43/86/303194386.db2.gz	MFTAXKZMROTGRR-LLVKDONJSA-N	-1	0	280.305	0.246	20	30		CCEDRM
C=CCC[C@@H](NC(=O)NCc1cn(CC)nn1)C(=O)[O-]	ZINC000404413861	545091249	/nfs/dbraw/zinc/09/12/49/545091249.db2.gz	LKCQYZIKNYONDU-SNVBAGLBSA-N	-1	0	281.316	0.517	20	30		CCEDRM
CC#CC[C@H](NS(=O)(=O)[C@H]1CCO[C@H](C)C1)C(=O)[O-]	ZINC000570850626	327626586	/nfs/dbraw/zinc/62/65/86/327626586.db2.gz	XCQYJIFPWHWKFO-VWYCJHECSA-N	-1	0	289.353	0.340	20	30		CCEDRM
N#CCC1(O)CN(C(=O)c2ccc(F)cc2[O-])C1	ZINC000331969019	328005816	/nfs/dbraw/zinc/00/58/16/328005816.db2.gz	MSQJIIJWFQOQFM-UHFFFAOYSA-N	-1	0	250.229	0.632	20	30		CCEDRM
C=CCN(CC(=O)[O-])S(=O)(=O)[C@H]1CCO[C@H](C)C1	ZINC000563532271	328072233	/nfs/dbraw/zinc/07/22/33/328072233.db2.gz	KBGFYWOIBBYKRW-ZJUUUORDSA-N	-1	0	277.342	0.456	20	30		CCEDRM
C=C(C)CS(=O)(=O)N[C@@H](C(=O)[O-])c1cnn(C)c1C	ZINC000583567714	328614062	/nfs/dbraw/zinc/61/40/62/328614062.db2.gz	IZYIRXQSACSVLB-SNVBAGLBSA-N	-1	0	287.341	0.350	20	30		CCEDRM
N#CCCCS(=O)(=O)N1CCn2cccc2[C@@H]1C(=O)[O-]	ZINC000571315717	328104663	/nfs/dbraw/zinc/10/46/63/328104663.db2.gz	MVHADYSJRCLJHD-LLVKDONJSA-N	-1	0	297.336	0.563	20	30		CCEDRM
CC[C@](C)(CNS(=O)(=O)N(C)C[C@@H](C)C#N)C(=O)[O-]	ZINC000582670278	329122817	/nfs/dbraw/zinc/12/28/17/329122817.db2.gz	TXCGOHCQRKMSDI-GXSJLCMTSA-N	-1	0	291.373	0.413	20	30		CCEDRM
COC(=O)NCC(=O)[N-]S(=O)(=O)c1ccccc1	ZINC000048407421	328308550	/nfs/dbraw/zinc/30/85/50/328308550.db2.gz	SPEGLCWGTXOYIE-UHFFFAOYSA-N	-1	0	272.282	0.688	20	30		CCEDRM
C=CCCCS(=O)(=O)N1CCOC[C@H]1C(=O)[O-]	ZINC000291843955	328535465	/nfs/dbraw/zinc/53/54/65/328535465.db2.gz	HTUXZJMXFAYULN-VIFPVBQESA-N	-1	0	263.315	0.068	20	30		CCEDRM
CCOC(=O)Cc1n[n-]c(=NC(=O)NC[C@H](C)C#N)s1	ZINC000533561233	326859907	/nfs/dbraw/zinc/85/99/07/326859907.db2.gz	SVXODDKXGMPCJY-SSDOTTSWSA-N	-1	0	297.340	0.347	20	30		CCEDRM
N#CC1(CS(=O)(=O)NC[C@H]2CCC[C@H]2C(=O)[O-])CC1	ZINC000556703158	326959554	/nfs/dbraw/zinc/95/95/54/326959554.db2.gz	NYUXAYJAUFITPS-NXEZZACHSA-N	-1	0	286.353	0.710	20	30		CCEDRM
C=CCC[C@H](NS(=O)(=O)N1CC[C@H](C)C1)C(=O)[O-]	ZINC000558878930	327129423	/nfs/dbraw/zinc/12/94/23/327129423.db2.gz	HXZDIFNMKBXGAJ-UWVGGRQHSA-N	-1	0	276.358	0.582	20	30		CCEDRM
N#CCCCS(=O)(=O)N1CC[C@H](CC(=O)[O-])C1	ZINC000559341884	327162441	/nfs/dbraw/zinc/16/24/41/327162441.db2.gz	LZRDICZQUVUPQL-SECBINFHSA-N	-1	0	260.315	0.417	20	30		CCEDRM
CC(C)[C@@H](CC(=O)[O-])NS(=O)(=O)N(C)[C@H](C)CC#N	ZINC000584294669	327224914	/nfs/dbraw/zinc/22/49/14/327224914.db2.gz	BWEBYZFIDPMOKJ-NXEZZACHSA-N	-1	0	291.373	0.554	20	30		CCEDRM
C[C@H](C#N)CN(C)S(=O)(=O)N[C@H](C(=O)[O-])C(C)(C)C	ZINC000584295262	327225657	/nfs/dbraw/zinc/22/56/57/327225657.db2.gz	XHHCXMBHPJKZLN-RKDXNWHRSA-N	-1	0	291.373	0.412	20	30		CCEDRM
C=C[C@@H](CCC(=O)[O-])NS(=O)(=O)c1cccc(N)c1	ZINC000560492928	327314764	/nfs/dbraw/zinc/31/47/64/327314764.db2.gz	KKXDLKFXZJVGPL-JTQLQIEISA-N	-1	0	284.337	0.967	20	30		CCEDRM
C=CC1CCN(S(=O)(=O)c2n[nH]cc2C(=O)[O-])CC1	ZINC000570089171	327568068	/nfs/dbraw/zinc/56/80/68/327568068.db2.gz	YFWOXPWFHJVYJZ-UHFFFAOYSA-N	-1	0	285.325	0.695	20	30		CCEDRM
COCCS(=O)(=O)[N-]c1cc(CC#N)ccn1	ZINC000532417444	328776388	/nfs/dbraw/zinc/77/63/88/328776388.db2.gz	CMIQDAUXTNZIOU-UHFFFAOYSA-N	-1	0	255.299	0.536	20	30		CCEDRM
C=CCCCN(C)C(=O)C(=O)NCCCC(=O)[O-]	ZINC000582301436	328954341	/nfs/dbraw/zinc/95/43/41/328954341.db2.gz	HEEJVHMPLNPKQI-UHFFFAOYSA-N	-1	0	256.302	0.392	20	30		CCEDRM
N#CCC1(CS(=O)(=O)N[C@H](C(=O)[O-])C2CC2)CC1	ZINC000582670109	329122556	/nfs/dbraw/zinc/12/25/56/329122556.db2.gz	NFFUZWHDARLBSG-VIFPVBQESA-N	-1	0	272.326	0.463	20	30		CCEDRM
C=CCCn1cc(C(=O)N2CC[C@@H](C(=O)[O-])[C@@H]2C)nn1	ZINC000425248963	329650393	/nfs/dbraw/zinc/65/03/93/329650393.db2.gz	CUZMIYQDOAUPIE-VHSXEESVSA-N	-1	0	278.312	0.789	20	30		CCEDRM
CC#CCCNC(=O)C(=O)NCc1ccc(C(=O)[O-])cc1	ZINC000420588451	329778278	/nfs/dbraw/zinc/77/82/78/329778278.db2.gz	QLPGMOVJMHSUJK-UHFFFAOYSA-N	-1	0	288.303	0.531	20	30		CCEDRM
C[C@@H](C(=O)[O-])N(C)S(=O)(=O)CC1(C#N)CCCC1	ZINC000262374460	330011501	/nfs/dbraw/zinc/01/15/01/330011501.db2.gz	GACUSQBHNHEMDX-VIFPVBQESA-N	-1	0	274.342	0.805	20	30		CCEDRM
N#CC1(CS(=O)(=O)NC2CCC(C(=O)[O-])CC2)CC1	ZINC000262494384	330017665	/nfs/dbraw/zinc/01/76/65/330017665.db2.gz	XXSZTXQUYBFUPN-UHFFFAOYSA-N	-1	0	286.353	0.853	20	30		CCEDRM
C=CCOC[C@H](NC(=O)c1cc(CC)n[nH]1)C(=O)[O-]	ZINC000263005664	330038567	/nfs/dbraw/zinc/03/85/67/330038567.db2.gz	MSSJDAZKQFSELQ-JTQLQIEISA-N	-1	0	267.285	0.358	20	30		CCEDRM
C=CCOCCCC(=O)N[C@@]1(CC(=O)[O-])CCOC1	ZINC000263044219	330040288	/nfs/dbraw/zinc/04/02/88/330040288.db2.gz	RRHXSXGZUGAZIZ-CYBMUJFWSA-N	-1	0	271.313	0.719	20	30		CCEDRM
C=CCOC[C@H](NC(=O)COc1ccc(F)cc1)C(=O)[O-]	ZINC000263083775	330042641	/nfs/dbraw/zinc/04/26/41/330042641.db2.gz	SFSRIXAZDNOKLJ-LBPRGKRZSA-N	-1	0	297.282	0.977	20	30		CCEDRM
C#C[C@@H](NC(=O)N1CCC(C(=O)[O-])CC1)[C@H]1CCCO1	ZINC000263347074	330052633	/nfs/dbraw/zinc/05/26/33/330052633.db2.gz	GWGKYEBKJBQKCH-VXGBXAGGSA-N	-1	0	280.324	0.673	20	30		CCEDRM
C=CCNC(=O)c1ccc(N(C)CCC(=O)[O-])nc1	ZINC000263377601	330053417	/nfs/dbraw/zinc/05/34/17/330053417.db2.gz	BRVXESBLHPPXAC-UHFFFAOYSA-N	-1	0	263.297	0.908	20	30		CCEDRM
CCCN(CC(=O)[O-])S(=O)(=O)N(CC)C[C@@H](C)C#N	ZINC000263478434	330057183	/nfs/dbraw/zinc/05/71/83/330057183.db2.gz	KCMIOWNYXSADFI-JTQLQIEISA-N	-1	0	291.373	0.509	20	30		CCEDRM
CCN(C[C@H](C)C#N)S(=O)(=O)N(CC(=O)[O-])C(C)C	ZINC000263468482	330057240	/nfs/dbraw/zinc/05/72/40/330057240.db2.gz	GYNQCGTXTQUCOM-SNVBAGLBSA-N	-1	0	291.373	0.508	20	30		CCEDRM
C[C@@H](C(=O)[O-])N(C)S(=O)(=O)CCC(C)(C)C#N	ZINC000263543815	330059126	/nfs/dbraw/zinc/05/91/26/330059126.db2.gz	FLZYYMABJAXKLB-QMMMGPOBSA-N	-1	0	262.331	0.661	20	30		CCEDRM
N#CCC1(CS(=O)(=O)N2CCC[C@H]2C(=O)[O-])CC1	ZINC000263560606	330059589	/nfs/dbraw/zinc/05/95/89/330059589.db2.gz	RGFFGZVPIAONDM-VIFPVBQESA-N	-1	0	272.326	0.559	20	30		CCEDRM
C=CC1CCN(C(=O)C(=O)N2CC[C@@](C)(C(=O)[O-])C2)CC1	ZINC000422824830	330156465	/nfs/dbraw/zinc/15/64/65/330156465.db2.gz	OOXXTPKAEMLJHP-OAHLLOKOSA-N	-1	0	294.351	0.734	20	30		CCEDRM
C=CCCn1cc(C(=O)NCC(C)(C)C(=O)[O-])nn1	ZINC000424227291	330330369	/nfs/dbraw/zinc/33/03/69/330330369.db2.gz	QHDLAXLGIMIYAA-UHFFFAOYSA-N	-1	0	266.301	0.695	20	30		CCEDRM
C=CCn1cc(CNC(=O)CC(C)(C)C(=O)[O-])nn1	ZINC000424542207	330371719	/nfs/dbraw/zinc/37/17/19/330371719.db2.gz	VWRHMVJOHOULMK-UHFFFAOYSA-N	-1	0	266.301	0.581	20	30		CCEDRM
C=CCn1cc(CNC(=O)[C@H]2CC[C@@H]2C(=O)[O-])nn1	ZINC000424542406	330372022	/nfs/dbraw/zinc/37/20/22/330372022.db2.gz	WHWHLTONEWPNBE-UWVGGRQHSA-N	-1	0	264.285	0.191	20	30		CCEDRM
C=CCCS(=O)(=O)[N-]c1c(C(N)=O)n[nH]c1C(C)C	ZINC000451110472	331015711	/nfs/dbraw/zinc/01/57/11/331015711.db2.gz	CQESEENCIQWQMR-UHFFFAOYSA-N	-1	0	286.357	0.950	20	30		CCEDRM
C=CC[C@H](CO)NC(=O)N=c1ccc(C(F)(F)F)n[n-]1	ZINC000471944730	331524603	/nfs/dbraw/zinc/52/46/03/331524603.db2.gz	SJRMKLPPEAAFLM-SSDOTTSWSA-N	-1	0	290.245	0.976	20	30		CCEDRM
C#CCN(CC#CC)C(=O)c1ccnc(C(=O)[O-])c1	ZINC000490819048	332117367	/nfs/dbraw/zinc/11/73/67/332117367.db2.gz	FOSHYGOKUOQHSJ-UHFFFAOYSA-N	-1	0	256.261	0.879	20	30		CCEDRM
C#C[C@H]1COCCN1C(=O)N=c1[n-]nc(C2CC2)s1	ZINC000491370920	332198490	/nfs/dbraw/zinc/19/84/90/332198490.db2.gz	BSYBKRPOUUDSLM-VIFPVBQESA-N	-1	0	278.337	0.703	20	30		CCEDRM
C#C[C@@H]1COCCN1C(=O)NC[C@@H](CC(C)C)C(=O)[O-]	ZINC000491526423	332230746	/nfs/dbraw/zinc/23/07/46/332230746.db2.gz	ZENMCMRCBULXHO-VXGBXAGGSA-N	-1	0	282.340	0.777	20	30		CCEDRM
CCn1ccnc1/C=C\C(=O)[N-]S(=O)(=O)CCCC#N	ZINC000492471667	332399062	/nfs/dbraw/zinc/39/90/62/332399062.db2.gz	JOUDPANJRZXEKC-WAYWQWQTSA-N	-1	0	296.352	0.666	20	30		CCEDRM
CC#CCS(=O)(=O)[N-]C(=O)/C=C/c1ccc(OC)cn1	ZINC000493385661	332438078	/nfs/dbraw/zinc/43/80/78/332438078.db2.gz	MYQSDJZKHVTSJP-SOFGYWHQSA-N	-1	0	294.332	0.573	20	30		CCEDRM
C=CCC[C@H](NC(=O)/C=C/c1ccnn1C)C(=O)[O-]	ZINC000316508929	333397298	/nfs/dbraw/zinc/39/72/98/333397298.db2.gz	SUVFDXZQTYHHFT-MLRMMBSGSA-N	-1	0	263.297	0.969	20	30		CCEDRM
CCC[C@H](C#N)NC(=O)Cc1n[n-]c(=NC)s1	ZINC000544735729	333944779	/nfs/dbraw/zinc/94/47/79/333944779.db2.gz	ASCOMXKICUQKNJ-SSDOTTSWSA-N	-1	0	253.331	0.353	20	30		CCEDRM
C=CCCS(=O)(=O)N[C@@H](C(=O)[O-])c1cnn(C)c1	ZINC000548205770	334146574	/nfs/dbraw/zinc/14/65/74/334146574.db2.gz	FSAZDTUIJVCUCN-SECBINFHSA-N	-1	0	273.314	0.041	20	30		CCEDRM
C=CCCS(=O)(=O)N[C@H](C(=O)[O-])c1cnn(C)c1	ZINC000548205771	334146607	/nfs/dbraw/zinc/14/66/07/334146607.db2.gz	FSAZDTUIJVCUCN-VIFPVBQESA-N	-1	0	273.314	0.041	20	30		CCEDRM
CCN([C@@H](C)CC(=O)[O-])S(=O)(=O)CC1(C#N)CC1	ZINC000548570512	334162723	/nfs/dbraw/zinc/16/27/23/334162723.db2.gz	FNJXRRGASKGWFC-VIFPVBQESA-N	-1	0	274.342	0.805	20	30		CCEDRM
N#CC1(C(=O)N2CCC(c3n[nH]c(=O)[n-]3)CC2)CCC1	ZINC000551930717	334266663	/nfs/dbraw/zinc/26/66/63/334266663.db2.gz	DQIYOLVPWIWXAQ-UHFFFAOYSA-N	-1	0	275.312	0.910	20	30		CCEDRM
C[C@@H](CC#N)N(C)S(=O)(=O)N[C@H](CC(F)F)C(=O)[O-]	ZINC000565425089	334562512	/nfs/dbraw/zinc/56/25/12/334562512.db2.gz	BDERSIAJRWNXER-NKWVEPMBSA-N	-1	0	299.299	0.163	20	30		CCEDRM
O=C(C[N-]C(=O)C(F)(F)C(F)F)NCC(F)(F)F	ZINC000267200108	334695531	/nfs/dbraw/zinc/69/55/31/334695531.db2.gz	NZHZLTMDPMCXRP-UHFFFAOYSA-N	-1	0	284.131	0.682	20	30		CCEDRM
C=CCC[C@@H](NC(=O)NC[C@H]1CCCO1)C(=O)[O-]	ZINC000316010291	334816038	/nfs/dbraw/zinc/81/60/38/334816038.db2.gz	IGGNIJHKCVTDME-NXEZZACHSA-N	-1	0	256.302	0.884	20	30		CCEDRM
C=CCCS(=O)(=O)N1C[C@H](OC)C[C@@H]1CC(=O)[O-]	ZINC000576582592	335221811	/nfs/dbraw/zinc/22/18/11/335221811.db2.gz	VDQGDQUFEOHPCS-NXEZZACHSA-N	-1	0	277.342	0.456	20	30		CCEDRM
C=C[C@@H](CCC(=O)[O-])NS(=O)(=O)[C@@H](C)CCOC	ZINC000576834091	335253676	/nfs/dbraw/zinc/25/36/76/335253676.db2.gz	KQGXRXXDVVAPFX-UWVGGRQHSA-N	-1	0	279.358	0.750	20	30		CCEDRM
C=CCN(CC(=O)[O-])S(=O)(=O)CCOCC1CC1	ZINC000576864348	335257203	/nfs/dbraw/zinc/25/72/03/335257203.db2.gz	SJLXPTVCXKNWBC-UHFFFAOYSA-N	-1	0	277.342	0.315	20	30		CCEDRM
CC(C)CCNC(=S)NN=C1CN(C(=O)[O-])C1	ZINC000738818880	582079447	/nfs/dbraw/zinc/07/94/47/582079447.db2.gz	QJPWNYDXSALHIZ-UHFFFAOYSA-N	-1	0	258.347	0.846	20	30		CCEDRM
O=C(NC[C@H]1CCCO1)c1cccn2c([O-])nnc12	ZINC000329074674	534754397	/nfs/dbraw/zinc/75/43/97/534754397.db2.gz	AAQLXTFWFODXOE-MRVPVSSYSA-N	-1	0	262.269	0.919	20	30		CCEDRM
N#Cc1c(F)cccc1C(=O)NCc1n[nH]c(=O)[n-]1	ZINC000427260685	534764170	/nfs/dbraw/zinc/76/41/70/534764170.db2.gz	PBUKTIQGMMZURQ-UHFFFAOYSA-N	-1	0	261.216	0.451	20	30		CCEDRM
C=C[C@@H](CO)NC(=O)N=c1nc([C@@H](C)OC)[n-]s1	ZINC000350638323	527431009	/nfs/dbraw/zinc/43/10/09/527431009.db2.gz	LUQSLCYGNUNRGV-RQJHMYQMSA-N	-1	0	272.330	0.336	20	30		CCEDRM
CCCC(=O)N1CCC[C@@H]1C(=O)NCc1n[nH]c(=O)[n-]1	ZINC000330044706	527894316	/nfs/dbraw/zinc/89/43/16/527894316.db2.gz	HSXCMVXXXOROMU-MRVPVSSYSA-N	-1	0	281.316	0.758	20	30		CCEDRM
C=CCCC[C@@H](C)NC(=O)c1n[nH]c(=O)[n-]c1=O	ZINC000678894567	545399856	/nfs/dbraw/zinc/39/98/56/545399856.db2.gz	FTUDQXZPXISESE-SSDOTTSWSA-N	-1	0	252.274	0.757	20	30		CCEDRM
C=CCCC[C@H](C)NC(=O)c1n[nH]c(=O)[n-]c1=O	ZINC000678894570	545399978	/nfs/dbraw/zinc/39/99/78/545399978.db2.gz	FTUDQXZPXISESE-ZETCQYMHSA-N	-1	0	252.274	0.757	20	30		CCEDRM
CC#CC[C@@H](NS(=O)(=O)c1c[nH]c(C(C)C)n1)C(=O)[O-]	ZINC000681578418	545456851	/nfs/dbraw/zinc/45/68/51/545456851.db2.gz	BMOGRWCZTQHLIY-SECBINFHSA-N	-1	0	299.352	0.678	20	30		CCEDRM
N#CCN(CC(=O)[O-])C(=O)COCCc1ccccc1	ZINC000739079074	581172511	/nfs/dbraw/zinc/17/25/11/581172511.db2.gz	QJVCXHKPLJPEQS-UHFFFAOYSA-N	-1	0	276.292	0.682	20	30		CCEDRM
CC#CCS(=O)(=O)[N-]C(=O)c1ccc(N(C)C)cc1F	ZINC000791105920	581207605	/nfs/dbraw/zinc/20/76/05/581207605.db2.gz	FSVYJIFLJYYMJZ-UHFFFAOYSA-N	-1	0	298.339	0.975	20	30		CCEDRM
C=CCNC(=O)N1CCC(N2C[C@@H](C(=O)[O-])CC2=O)CC1	ZINC000170299993	581104410	/nfs/dbraw/zinc/10/44/10/581104410.db2.gz	CWEUZMLAJPHZID-JTQLQIEISA-N	-1	0	295.339	0.280	20	30		CCEDRM
N#Cc1ccc([C@H](O)C(=O)[N-]OC[C@H]2CCOC2)cc1	ZINC000788573572	581116814	/nfs/dbraw/zinc/11/68/14/581116814.db2.gz	GLMRFIJYAMEQJF-AAEUAGOBSA-N	-1	0	276.292	0.676	20	30		CCEDRM
CC(=Nn1c(=O)c(C)n[n-]c1=S)c1cnn(C)c1C	ZINC000778539131	581159281	/nfs/dbraw/zinc/15/92/81/581159281.db2.gz	VYHLFRHDPNFNAV-UHFFFAOYSA-N	-1	0	278.341	0.550	20	30		CCEDRM
N#C[C@H](C(=O)CCCNC(=O)[O-])C(=O)NC1CC1	ZINC000739074746	581170244	/nfs/dbraw/zinc/17/02/44/581170244.db2.gz	LNJAHKUZQOTBIK-MRVPVSSYSA-N	-1	0	253.258	0.022	20	30		CCEDRM
Cc1noc(C)c1C(=O)[N-]S(=O)(=O)CC(C)(C)C#N	ZINC000776137500	581180873	/nfs/dbraw/zinc/18/08/73/581180873.db2.gz	AAHUIRKNRRNYQQ-UHFFFAOYSA-N	-1	0	285.325	0.901	20	30		CCEDRM
C[C@H](CNC(=O)[O-])N(C)CC(=O)NC1(C#N)CCCCC1	ZINC000738938167	581204468	/nfs/dbraw/zinc/20/44/68/581204468.db2.gz	IFBLAYPBCPXQNC-LLVKDONJSA-N	-1	0	296.371	0.917	20	30		CCEDRM
Cc1c(Cl)c(C(=O)[O-])nn1CN1CCOC[C@@H]1C#N	ZINC000738287098	581243793	/nfs/dbraw/zinc/24/37/93/581243793.db2.gz	ADVAMJYRJPBBGQ-QMMMGPOBSA-N	-1	0	284.703	0.725	20	30		CCEDRM
C[C@@]1(C(=O)[N-]S(=O)(=O)CCCC#N)CCCOC1	ZINC000781469995	581269501	/nfs/dbraw/zinc/26/95/01/581269501.db2.gz	MXLYNTNTFOUVNZ-LLVKDONJSA-N	-1	0	274.342	0.553	20	30		CCEDRM
N#Cc1cc(S(=O)(=O)NC2(C(=O)[O-])CC2)ccc1F	ZINC000203657591	581270208	/nfs/dbraw/zinc/27/02/08/581270208.db2.gz	GZZUTAWMGCEILV-UHFFFAOYSA-N	-1	0	284.268	0.593	20	30		CCEDRM
Nc1ncc(C=Nn2c(=O)c3ccccc3[n-]c2=S)cn1	ZINC000781586374	581272392	/nfs/dbraw/zinc/27/23/92/581272392.db2.gz	KRWAIDOGSFIHAF-UHFFFAOYSA-N	-1	0	298.331	0.940	20	30		CCEDRM
C=C(C)C[C@H](C)C(=O)[N-]S(=O)(=O)c1cnnn1C	ZINC000781733006	581276192	/nfs/dbraw/zinc/27/61/92/581276192.db2.gz	WJLROIKYAGADCW-QMMMGPOBSA-N	-1	0	272.330	0.222	20	30		CCEDRM
CCCn1cc(C([O-])=C(C#N)C(=O)NCCOC)cn1	ZINC000781763687	581276813	/nfs/dbraw/zinc/27/68/13/581276813.db2.gz	XVAINAPOGLZLAC-NSHDSACASA-N	-1	0	278.312	0.378	20	30		CCEDRM
CC[C@@H](NN=Cc1cnc(N2CCCC2)nc1)C(=O)[O-]	ZINC000793073318	581283676	/nfs/dbraw/zinc/28/36/76/581283676.db2.gz	SEWKVFIWYRTGKR-LLVKDONJSA-N	-1	0	277.328	0.864	20	30		CCEDRM
CCOCCC(=O)[N-]S(=O)(=O)CC1(C#N)CC1	ZINC000793195152	581287818	/nfs/dbraw/zinc/28/78/18/581287818.db2.gz	HJWUIMCAQUIBOK-UHFFFAOYSA-N	-1	0	260.315	0.163	20	30		CCEDRM
C[C@@H]1C(=O)CC[C@@H]1CC(=O)[N-]S(=O)(=O)CC1(C#N)CC1	ZINC000793195429	581287835	/nfs/dbraw/zinc/28/78/35/581287835.db2.gz	LWMQQYMKIYUFFL-VHSXEESVSA-N	-1	0	298.364	0.741	20	30		CCEDRM
N#CC1(CS(=O)(=O)[N-]C(=O)CCc2cccnc2)CC1	ZINC000793202223	581288169	/nfs/dbraw/zinc/28/81/69/581288169.db2.gz	XSGCCEPSHNJFOR-UHFFFAOYSA-N	-1	0	293.348	0.764	20	30		CCEDRM
C[C@H](CO)NN=Cc1ccccc1OCC(=O)[O-]	ZINC000749822230	581308352	/nfs/dbraw/zinc/30/83/52/581308352.db2.gz	VHYIVNCAKJDUFZ-SECBINFHSA-N	-1	0	252.270	0.454	20	30		CCEDRM
N#Cc1nc(NC(=O)Cc2cccnc2)[n-]c1-c1nn[nH]n1	ZINC000737704362	581322542	/nfs/dbraw/zinc/32/25/42/581322542.db2.gz	FBJMYGXGCKNWKC-UHFFFAOYSA-N	-1	0	295.266	0.038	20	30		CCEDRM
N#CCNC(=O)CN1CCC([C@H]2CCCN2C(=O)[O-])CC1	ZINC000740305717	581322649	/nfs/dbraw/zinc/32/26/49/581322649.db2.gz	UFBFHSBMKDHSHC-GFCCVEGCSA-N	-1	0	294.355	0.481	20	30		CCEDRM
N#CCCCS(=O)(=O)NCC[C@@H]1CCN(C(=O)[O-])C1	ZINC000740308370	581323071	/nfs/dbraw/zinc/32/30/71/581323071.db2.gz	YBTHJMBESKSAQH-SNVBAGLBSA-N	-1	0	289.357	0.600	20	30		CCEDRM
CCO[C@@H](C)C(=O)OCc1cc(=O)n2[n-]cc(C#N)c2n1	ZINC000782881579	581325394	/nfs/dbraw/zinc/32/53/94/581325394.db2.gz	BAQNQURDGHPNNG-QMMMGPOBSA-N	-1	0	290.279	0.775	20	30		CCEDRM
N#Cc1ccc(S(=O)(=O)N(CC(=O)[O-])C2CC2)cc1F	ZINC000793983320	581325610	/nfs/dbraw/zinc/32/56/10/581325610.db2.gz	OAWUQSZAMCXERI-UHFFFAOYSA-N	-1	0	298.295	0.935	20	30		CCEDRM
C#Cc1ccc(C(=O)NCCN(CC)C(=O)[O-])nc1	ZINC000738467602	581341140	/nfs/dbraw/zinc/34/11/40/581341140.db2.gz	NVARIVUHFYMDOX-UHFFFAOYSA-N	-1	0	261.281	0.793	20	30		CCEDRM
C#CCSCCNC(=O)[C@@H]1CCC[C@@H]1NC(=O)[O-]	ZINC000738470278	581343724	/nfs/dbraw/zinc/34/37/24/581343724.db2.gz	NPNWTSISBSWLGB-ZJUUUORDSA-N	-1	0	270.354	0.905	20	30		CCEDRM
Cc1cnn(C)c1C=CC([O-])=C1C(=O)C=C(C)OC1=O	ZINC000794692013	581383652	/nfs/dbraw/zinc/38/36/52/581383652.db2.gz	SPRGXTVDHODRAP-ZFDPJTLLSA-N	-1	0	274.276	0.957	20	30		CCEDRM
C[C@@H]1C[C@H](C(=O)[N-]S(=O)(=O)CC(C)(C)C#N)CO1	ZINC000784542713	581387907	/nfs/dbraw/zinc/38/79/07/581387907.db2.gz	ZXJAPBAKAHOGPG-BDAKNGLRSA-N	-1	0	274.342	0.407	20	30		CCEDRM
C=C[C@](C)(CC)C(=O)N1CCO[C@@H](c2nnn[n-]2)C1	ZINC000785411111	581408473	/nfs/dbraw/zinc/40/84/73/581408473.db2.gz	IIGFATOLBUMORP-BXKDBHETSA-N	-1	0	265.317	0.702	20	30		CCEDRM
COC(C)(C)CC(=O)[N-]S(=O)(=O)CC1(C#N)CCC1	ZINC000786493290	581442706	/nfs/dbraw/zinc/44/27/06/581442706.db2.gz	ILOBFSOSRWRDDZ-UHFFFAOYSA-N	-1	0	288.369	0.941	20	30		CCEDRM
N#CC(C(=O)NC1CC1)=C([O-])c1ccnc(C#N)c1	ZINC000796633939	581446751	/nfs/dbraw/zinc/44/67/51/581446751.db2.gz	GGBDZJYDGZMFKB-LLVKDONJSA-N	-1	0	254.249	0.554	20	30		CCEDRM
N#Cc1cc(C(=O)[N-]S(=O)(=O)Cc2ccon2)ccn1	ZINC000796743935	581449400	/nfs/dbraw/zinc/44/94/00/581449400.db2.gz	GZWPHFNOWSMNIL-UHFFFAOYSA-N	-1	0	292.276	0.201	20	30		CCEDRM
N#Cc1cc(C(=O)[N-]S(=O)(=O)C[C@@H]2CCCO2)ccn1	ZINC000796827799	581451696	/nfs/dbraw/zinc/45/16/96/581451696.db2.gz	JISDEMCCEJXJEB-NSHDSACASA-N	-1	0	295.320	0.192	20	30		CCEDRM
O=C([O-])Cn1cc(/C=C\C(=O)c2cncs2)nn1	ZINC000787171956	581459063	/nfs/dbraw/zinc/45/90/63/581459063.db2.gz	RGLLDDRKOIUHHK-UPHRSURJSA-N	-1	0	264.266	0.715	20	30		CCEDRM
N#Cc1ccc(C(=O)[N-]S(=O)(=O)c2ncccc2F)o1	ZINC000797153865	581460502	/nfs/dbraw/zinc/46/05/02/581460502.db2.gz	BENYNWCWIWFIIQ-UHFFFAOYSA-N	-1	0	295.251	0.804	20	30		CCEDRM
CC#CCS(=O)(=O)[N-]C(=O)c1c(C)nsc1C	ZINC000797187872	581461670	/nfs/dbraw/zinc/46/16/70/581461670.db2.gz	WZSASFCVICHZNR-UHFFFAOYSA-N	-1	0	272.351	0.843	20	30		CCEDRM
Cc1ccc(C#N)cc1S(=O)(=O)[N-]c1cnnn1C	ZINC000788206017	581485361	/nfs/dbraw/zinc/48/53/61/581485361.db2.gz	SQAMZHUXNOIEOY-UHFFFAOYSA-N	-1	0	277.309	0.796	20	30		CCEDRM
N#Cc1ccc(NC(=O)COC(=O)[C@H]2C[C@@H]2C(=O)[O-])cc1	ZINC000739123060	581507887	/nfs/dbraw/zinc/50/78/87/581507887.db2.gz	MNWSAGZSIXHGHV-QWRGUYRKSA-N	-1	0	288.259	0.761	20	30		CCEDRM
C[C@@H]1CN(C(=O)[O-])CCN1S(=O)(=O)CCCCC#N	ZINC000739153702	581513085	/nfs/dbraw/zinc/51/30/85/581513085.db2.gz	IMIDAUDHNFKXNE-SNVBAGLBSA-N	-1	0	289.357	0.694	20	30		CCEDRM
CC(C)[C@](C)(C#N)NC(=O)CN1CCN(C(=O)[O-])C[C@H]1C	ZINC000739161608	581514118	/nfs/dbraw/zinc/51/41/18/581514118.db2.gz	QQWYMYCBTZWKIH-RISCZKNCSA-N	-1	0	296.371	0.725	20	30		CCEDRM
N#Cc1ccc(CC(=O)[N-]S(=O)(=O)[C@H]2CCOC2)cc1	ZINC000733723626	581521949	/nfs/dbraw/zinc/52/19/49/581521949.db2.gz	YYYADBFHTGIGFO-LBPRGKRZSA-N	-1	0	294.332	0.336	20	30		CCEDRM
CC[C@@H](C#N)NC(=O)[C@H](CCSC)NC(=O)[O-]	ZINC000739209490	581523584	/nfs/dbraw/zinc/52/35/84/581523584.db2.gz	OTFJZAGSQKVNLA-YUMQZZPRSA-N	-1	0	259.331	0.794	20	30		CCEDRM
CC[C@H](C#N)NC(=O)[C@H](CCSC)NC(=O)[O-]	ZINC000739209485	581523819	/nfs/dbraw/zinc/52/38/19/581523819.db2.gz	OTFJZAGSQKVNLA-SFYZADRCSA-N	-1	0	259.331	0.794	20	30		CCEDRM
CC[C@H](NC(=O)[O-])C(=O)N1CCN(C2CC2)[C@H](C#N)C1	ZINC000739524306	581565008	/nfs/dbraw/zinc/56/50/08/581565008.db2.gz	FQDJFCJHSIZFSF-MNOVXSKESA-N	-1	0	280.328	0.231	20	30		CCEDRM
Cc1ncsc1C(=O)[N-]S(=O)(=O)CC1(C#N)CC1	ZINC000753945458	581565917	/nfs/dbraw/zinc/56/59/17/581565917.db2.gz	QLNNXGSHTPHJIJ-UHFFFAOYSA-N	-1	0	285.350	0.815	20	30		CCEDRM
CC[C@H](NC(=O)[O-])C(=O)Nc1ccn(CCC#N)n1	ZINC000739530021	581566342	/nfs/dbraw/zinc/56/63/42/581566342.db2.gz	HQMSIJJPMWWZIC-QMMMGPOBSA-N	-1	0	265.273	0.781	20	30		CCEDRM
CN(CC(=O)N(CCC#N)Cc1cccnc1)C(=O)[O-]	ZINC000739617346	581581705	/nfs/dbraw/zinc/58/17/05/581581705.db2.gz	PKDPXCAMSWIGKR-UHFFFAOYSA-N	-1	0	276.296	0.934	20	30		CCEDRM
CN(CCNC(=O)c1ccccc1OCC#N)C(=O)[O-]	ZINC000739698796	581596573	/nfs/dbraw/zinc/59/65/73/581596573.db2.gz	NOINTUCUBSTTOD-UHFFFAOYSA-N	-1	0	277.280	0.929	20	30		CCEDRM
CC#CCS(=O)(=O)[N-]C(=O)CC[C@H]1CCOC1	ZINC000788067558	581610370	/nfs/dbraw/zinc/61/03/70/581610370.db2.gz	GWXANZKIUHGKBZ-JTQLQIEISA-N	-1	0	259.327	0.272	20	30		CCEDRM
C#CCCS(=O)(=O)[N-]C(=O)c1ccc2nsnc2c1	ZINC000788067604	581611275	/nfs/dbraw/zinc/61/12/75/581611275.db2.gz	HMJJRHUJOBIPAU-UHFFFAOYSA-N	-1	0	295.345	0.774	20	30		CCEDRM
CN(CC#N)C(=O)C1(NC(=O)[O-])Cc2ccccc2C1	ZINC000739618250	581617047	/nfs/dbraw/zinc/61/70/47/581617047.db2.gz	YKHZNASJEGJPEZ-UHFFFAOYSA-N	-1	0	273.292	0.774	20	30		CCEDRM
C=CCNC(=O)C(C#N)=C([O-])c1cc(OC(F)F)n(C)n1	ZINC000767960907	581638916	/nfs/dbraw/zinc/63/89/16/581638916.db2.gz	VTLLFCZFVZLONH-SSDOTTSWSA-N	-1	0	298.249	0.646	20	30		CCEDRM
CC#CCCCC(=O)[N-]S(=O)(=O)C[C@H]1CCOC1	ZINC000767998518	581640643	/nfs/dbraw/zinc/64/06/43/581640643.db2.gz	LPCXRAMMXKVGGE-NSHDSACASA-N	-1	0	273.354	0.663	20	30		CCEDRM
Cc1nnc(NN=Cc2cnn3cccnc23)[n-]c1=O	ZINC000755524279	581643827	/nfs/dbraw/zinc/64/38/27/581643827.db2.gz	MLORDHWLUKEING-UHFFFAOYSA-N	-1	0	270.256	0.374	20	30		CCEDRM
CSCC[C@H](NC(=O)[O-])C(=O)NC[C@H](C)C#N	ZINC000740011820	581644945	/nfs/dbraw/zinc/64/49/45/581644945.db2.gz	XEFGQNJQNJZIEM-SFYZADRCSA-N	-1	0	259.331	0.652	20	30		CCEDRM
N#Cc1cccc(CS(=O)(=O)NC2CN(C(=O)[O-])C2)c1	ZINC000740320711	581665398	/nfs/dbraw/zinc/66/53/98/581665398.db2.gz	XUGQRRBFQZYKCM-UHFFFAOYSA-N	-1	0	295.320	0.340	20	30		CCEDRM
C=C(C)[C@H](CC(=O)[N-]S(=O)(=O)N1CCCC1)OCC	ZINC000756522207	581670090	/nfs/dbraw/zinc/67/00/90/581670090.db2.gz	LTKROXOLOCYLDA-NSHDSACASA-N	-1	0	290.385	0.815	20	30		CCEDRM
O=C([O-])N1CC(=NN=C2NS(=O)(=O)c3ccccc32)C1	ZINC000740488208	581686164	/nfs/dbraw/zinc/68/61/64/581686164.db2.gz	ICJGPSLPMZUXBS-UHFFFAOYSA-N	-1	0	294.292	0.075	20	30		CCEDRM
C#CCN(CC)C(=O)N[C@H]1CCCN(C(=O)[O-])C1	ZINC000736076248	581694382	/nfs/dbraw/zinc/69/43/82/581694382.db2.gz	CTHPAHGUUCRXML-JTQLQIEISA-N	-1	0	253.302	0.794	20	30		CCEDRM
C#CCN(CC)C(=O)C(=O)Nc1ccc(F)c(C(=O)[O-])c1	ZINC000736077201	581695332	/nfs/dbraw/zinc/69/53/32/581695332.db2.gz	OOIOVIBQXIVFCQ-UHFFFAOYSA-N	-1	0	292.266	0.944	20	30		CCEDRM
C=CCN(CC=C)C(=O)COC(=O)[C@@H]1C[C@@H]1C(=O)[O-]	ZINC000736107936	581697666	/nfs/dbraw/zinc/69/76/66/581697666.db2.gz	BCWFMYMRKPNCIJ-VHSXEESVSA-N	-1	0	267.281	0.451	20	30		CCEDRM
CC(C)[C@@](C)(C#N)NC(=O)[C@@H](C)N1CC[C@@H](NC(=O)[O-])C1	ZINC000738620681	581701317	/nfs/dbraw/zinc/70/13/17/581701317.db2.gz	WFGPWWRGCPJSMF-JTNHKYCSSA-N	-1	0	296.371	0.771	20	30		CCEDRM
CON=Cc1ccc(C(=O)NC[C@@](C)(O)C(=O)[O-])cc1	ZINC000769740334	581703482	/nfs/dbraw/zinc/70/34/82/581703482.db2.gz	AYSFASFNFJREEM-CYBMUJFWSA-N	-1	0	280.280	0.232	20	30		CCEDRM
C[C@@H](C#N)C(=O)Nc1nnc(CCC(=O)[O-])s1	ZINC000736200719	581714265	/nfs/dbraw/zinc/71/42/65/581714265.db2.gz	CUANLDRSLUABAH-YFKPBYRVSA-N	-1	0	254.271	0.653	20	30		CCEDRM
CC(C)(NC(=O)[O-])C(=O)OCC(=O)N[C@](C)(C#N)C1CC1	ZINC000736333283	581744035	/nfs/dbraw/zinc/74/40/35/581744035.db2.gz	PGRDMAAXZIJXHM-CYBMUJFWSA-N	-1	0	297.311	0.384	20	30		CCEDRM
CC(C)[C@](C)(C#N)NC(=O)CN1CCC[C@@H]1C(=O)[O-]	ZINC000736348551	581746686	/nfs/dbraw/zinc/74/66/86/581746686.db2.gz	ALBIZFVFEWXXMX-MFKMUULPSA-N	-1	0	267.329	0.590	20	30		CCEDRM
C=CCC(CC=C)C(=O)[N-]S(=O)(=O)[C@H]1CCOC1	ZINC000758525998	581753370	/nfs/dbraw/zinc/75/33/70/581753370.db2.gz	NYTPIVOAALTRFZ-NSHDSACASA-N	-1	0	273.354	0.990	20	30		CCEDRM
CC(C)[C@@H](N[C@@H](C(=O)[O-])c1ccc(C#N)cc1)C(N)=O	ZINC000736391372	581757351	/nfs/dbraw/zinc/75/73/51/581757351.db2.gz	YJLAJULPJHFJTM-VXGBXAGGSA-N	-1	0	275.308	0.783	20	30		CCEDRM
CCc1cc(C(=O)[N-]S(=O)(=O)CC2(C#N)CCC2)[nH]n1	ZINC000771080888	581790442	/nfs/dbraw/zinc/79/04/42/581790442.db2.gz	SHJZCVYTIMSZDU-UHFFFAOYSA-N	-1	0	296.352	0.726	20	30		CCEDRM
N#Cc1ccc(CC(=O)N2CCO[C@H](c3nnn[n-]3)C2)cc1	ZINC000732091607	581802598	/nfs/dbraw/zinc/80/25/98/581802598.db2.gz	KHAAUZBCZRGORP-LBPRGKRZSA-N	-1	0	298.306	0.214	20	30		CCEDRM
C#CCNC(=O)[C@H](C)OC(=O)c1cc(F)c([O-])c(F)c1	ZINC000759544321	581805409	/nfs/dbraw/zinc/80/54/09/581805409.db2.gz	CWSJCOORTDEMMI-ZETCQYMHSA-N	-1	0	283.230	0.965	20	30		CCEDRM
C#CCCCC(=O)[N-]S(=O)(=O)c1cnccn1	ZINC000759580539	581809542	/nfs/dbraw/zinc/80/95/42/581809542.db2.gz	PZRGQNKBMKSGHD-UHFFFAOYSA-N	-1	0	253.283	0.085	20	30		CCEDRM
C[C@H](Oc1cccc(C=NOCC(N)=O)c1)C(=O)[O-]	ZINC000771578062	581810517	/nfs/dbraw/zinc/81/05/17/581810517.db2.gz	LUFFYCWHACIOPS-QMMMGPOBSA-N	-1	0	266.253	0.374	20	30		CCEDRM
CC(=NOCC(N)=O)c1cccc(OCC(=O)[O-])c1	ZINC000771580240	581810615	/nfs/dbraw/zinc/81/06/15/581810615.db2.gz	UTYXMLBKOJVTRS-UHFFFAOYSA-N	-1	0	266.253	0.376	20	30		CCEDRM
C[C@@H](Oc1ccccc1C#N)C(=O)N(CC#N)CC(=O)[O-]	ZINC000736706837	581822809	/nfs/dbraw/zinc/82/28/09/581822809.db2.gz	JMLNKRKGNQPYSC-SNVBAGLBSA-N	-1	0	287.275	0.762	20	30		CCEDRM
CCN(C)S(=O)(=O)[N-]C(=O)COc1ccccc1C#N	ZINC000744240369	581835757	/nfs/dbraw/zinc/83/57/57/581835757.db2.gz	NMHAZVMQXHWECL-UHFFFAOYSA-N	-1	0	297.336	0.250	20	30		CCEDRM
CCN(C)S(=O)(=O)[N-]C(=O)c1cccc(CC#N)c1	ZINC000744240728	581836399	/nfs/dbraw/zinc/83/63/99/581836399.db2.gz	PMYGMDOLJRUUFP-UHFFFAOYSA-N	-1	0	281.337	0.679	20	30		CCEDRM
C=CCS(=O)(=O)[N-]C(=O)Cc1cc(OC)ccc1OC	ZINC000772709553	581884821	/nfs/dbraw/zinc/88/48/21/581884821.db2.gz	GEKXEZBZOJINEO-UHFFFAOYSA-N	-1	0	299.348	0.878	20	30		CCEDRM
C=CCCO[C@H](C)C(=O)NCCc1n[n-]c(=S)o1	ZINC000773108206	581908929	/nfs/dbraw/zinc/90/89/29/581908929.db2.gz	ZCYWXXYFYDVORR-MRVPVSSYSA-N	-1	0	271.342	0.998	20	30		CCEDRM
CCOC(=O)N1CCC[C@H](C(=O)N(CC#N)CC(=O)[O-])C1	ZINC000737146037	581913964	/nfs/dbraw/zinc/91/39/64/581913964.db2.gz	LAHTVHFYGJNHJV-JTQLQIEISA-N	-1	0	297.311	0.292	20	30		CCEDRM
COc1ccc(C(=O)N(CC#N)CC(=O)[O-])c(O)c1	ZINC000737920880	581920815	/nfs/dbraw/zinc/92/08/15/581920815.db2.gz	NRZKEDNZOVBLAT-UHFFFAOYSA-N	-1	0	264.237	0.451	20	30		CCEDRM
CCOC(=O)c1cnc([N-]N=C2CCN(C)C2=O)nc1C	ZINC000761835362	581921913	/nfs/dbraw/zinc/92/19/13/581921913.db2.gz	XZWQVNOWNXPGJN-UHFFFAOYSA-N	-1	0	291.311	0.592	20	30		CCEDRM
C#CCCc1noc(Cn2[n-]cc3c(=O)ncnc2-3)n1	ZINC000762015750	581928365	/nfs/dbraw/zinc/92/83/65/581928365.db2.gz	CPGVXAOSBREMRQ-UHFFFAOYSA-N	-1	0	270.252	0.068	20	30		CCEDRM
CNC(=O)C(C#N)=C([O-])c1ccn(Cc2ccccc2)n1	ZINC000773982202	581951115	/nfs/dbraw/zinc/95/11/15/581951115.db2.gz	KLYSEQJNBAXPMZ-LBPRGKRZSA-N	-1	0	282.303	1.000	20	30		CCEDRM
CN(CCCC(=O)OCC(=O)N(C)C(C)(C)C#N)C(=O)[O-]	ZINC000737432869	581957063	/nfs/dbraw/zinc/95/70/63/581957063.db2.gz	JZTRLVWJBCQFFR-UHFFFAOYSA-N	-1	0	299.327	0.680	20	30		CCEDRM
N#C[C@H]1COCCN1C(=O)c1n[n-]c2ccccc2c1=O	ZINC000748342107	581969517	/nfs/dbraw/zinc/96/95/17/581969517.db2.gz	KKBSIKFQDLRKBN-VIFPVBQESA-N	-1	0	284.275	0.700	20	30		CCEDRM
C=CCNC(=O)NC(=O)CN1CCC(N(C)C(=O)[O-])CC1	ZINC000737532592	581973864	/nfs/dbraw/zinc/97/38/64/581973864.db2.gz	RGNUPWRGSKSREO-UHFFFAOYSA-N	-1	0	298.343	0.072	20	30		CCEDRM
C#CCNC(=O)COC(=O)c1ccc([O-])c(Cl)c1	ZINC000748706749	581984364	/nfs/dbraw/zinc/98/43/64/581984364.db2.gz	FYRHTFDNVAUBDM-UHFFFAOYSA-N	-1	0	267.668	0.952	20	30		CCEDRM
COC(=O)CN(CC#N)C(=O)c1[nH]c(C)c(C(=O)[O-])c1C	ZINC000737602971	581989374	/nfs/dbraw/zinc/98/93/74/581989374.db2.gz	CTIIQMNPZHWXLP-UHFFFAOYSA-N	-1	0	293.279	0.469	20	30		CCEDRM
CON=Cc1ccc(C(=O)OCc2n[nH]c(=O)[n-]2)cc1	ZINC000774875615	582000060	/nfs/dbraw/zinc/00/00/60/582000060.db2.gz	NKGKJYJWOXWVKU-UHFFFAOYSA-N	-1	0	276.252	0.848	20	30		CCEDRM
N#Cc1ccc(CC(=O)OCc2n[nH]c(=O)[n-]2)cc1	ZINC000774940039	582004206	/nfs/dbraw/zinc/00/42/06/582004206.db2.gz	RIPPKPZMNYVTBH-UHFFFAOYSA-N	-1	0	258.237	0.668	20	30		CCEDRM
CC(C)S(=O)(=O)NN=Cc1cc([N+](=O)[O-])ccc1[O-]	ZINC000749749248	582020333	/nfs/dbraw/zinc/02/03/33/582020333.db2.gz	YIMAXYHRWUPREY-UHFFFAOYSA-N	-1	0	287.297	0.962	20	30		CCEDRM
O=C([O-])c1ccc(C=NNC(=S)NC2CC2)[nH]1	ZINC000749812758	582023277	/nfs/dbraw/zinc/02/32/77/582023277.db2.gz	SBIMJVMSLPWMMG-UHFFFAOYSA-N	-1	0	252.299	0.673	20	30		CCEDRM
N#C[C@@H]1CN(C(=O)NC2CCN(C(=O)[O-])CC2)CCO1	ZINC000738421545	582047784	/nfs/dbraw/zinc/04/77/84/582047784.db2.gz	FPSHNPUSGOGEAG-SNVBAGLBSA-N	-1	0	282.300	0.063	20	30		CCEDRM
N#CCCCS(=O)(=O)N1CCC[C@H](NC(=O)[O-])C1	ZINC000738427675	582048305	/nfs/dbraw/zinc/04/83/05/582048305.db2.gz	FNUQHPVMNGCKIE-VIFPVBQESA-N	-1	0	275.330	0.352	20	30		CCEDRM
N#Cc1ccsc1C(=O)N1CCO[C@H](C(=O)[O-])C1	ZINC000738434833	582048884	/nfs/dbraw/zinc/04/88/84/582048884.db2.gz	DPVFQUVWUJWQOA-QMMMGPOBSA-N	-1	0	266.278	0.545	20	30		CCEDRM
N#Cc1cccc(OCCN2CCO[C@H](C(=O)[O-])C2)c1	ZINC000738433832	582048982	/nfs/dbraw/zinc/04/89/82/582048982.db2.gz	LZLYSPHLLMKEOO-ZDUSSCGKSA-N	-1	0	276.292	0.722	20	30		CCEDRM
N#Cc1ccc([C@H](C(N)=O)N2CCN(C(=O)[O-])CC2)cc1	ZINC000738431331	582048996	/nfs/dbraw/zinc/04/89/96/582048996.db2.gz	WWUKDLFTLRULRE-GFCCVEGCSA-N	-1	0	288.307	0.380	20	30		CCEDRM
Cn1nc(C(=O)[N-]S(=O)(=O)CCCC#N)cc1C1CC1	ZINC000776118194	582052118	/nfs/dbraw/zinc/05/21/18/582052118.db2.gz	BDWLZJUASOGPHX-UHFFFAOYSA-N	-1	0	296.352	0.661	20	30		CCEDRM
N#CCCCS(=O)(=O)[N-]C(=O)c1cccc(C(N)=O)c1	ZINC000776121732	582052656	/nfs/dbraw/zinc/05/26/56/582052656.db2.gz	JSFLBBZQLYICRO-UHFFFAOYSA-N	-1	0	295.320	0.149	20	30		CCEDRM
Cc1nn(C)c(C)c1C(=O)[N-]S(=O)(=O)CCCC#N	ZINC000776122648	582052689	/nfs/dbraw/zinc/05/26/89/582052689.db2.gz	SPGWRWGSJFBYHC-UHFFFAOYSA-N	-1	0	284.341	0.400	20	30		CCEDRM
C#CCN(CC)C(=O)NC[C@@H](NC(=O)[O-])C(C)C	ZINC000738459801	582053320	/nfs/dbraw/zinc/05/33/20/582053320.db2.gz	DOITULSZLPDUMA-SNVBAGLBSA-N	-1	0	255.318	0.943	20	30		CCEDRM
C#Cc1ccc(C(=O)NCC[C@@H](C)NC(=O)[O-])cn1	ZINC000738466694	582053843	/nfs/dbraw/zinc/05/38/43/582053843.db2.gz	FTEIBXNMHBUKCQ-SECBINFHSA-N	-1	0	261.281	0.839	20	30		CCEDRM
CC(C)(C#N)CS(=O)(=O)[N-]C(=O)C1CCOCC1	ZINC000776141971	582054088	/nfs/dbraw/zinc/05/40/88/582054088.db2.gz	DDSLFILSIZTMNV-UHFFFAOYSA-N	-1	0	274.342	0.409	20	30		CCEDRM
Cn1cc(CCC(=O)[N-]S(=O)(=O)CC(C)(C)C#N)cn1	ZINC000776143976	582054610	/nfs/dbraw/zinc/05/46/10/582054610.db2.gz	KVPPPZUTMCFBKL-UHFFFAOYSA-N	-1	0	298.368	0.348	20	30		CCEDRM
C=CCOCC(=O)N1CC[C@@H](NC(=O)[O-])[C@@H](C)C1	ZINC000738490422	582055531	/nfs/dbraw/zinc/05/55/31/582055531.db2.gz	ARWPKQIUEQIHOM-VHSXEESVSA-N	-1	0	256.302	0.694	20	30		CCEDRM
C[C@H](C#N)CNC(=O)CN(C[C@@H]1CCCO1)C(=O)[O-]	ZINC000738602744	582065087	/nfs/dbraw/zinc/06/50/87/582065087.db2.gz	NMBASUFWFPFGSO-ZJUUUORDSA-N	-1	0	269.301	0.421	20	30		CCEDRM
Cc1ccc(OCC(=O)N(CC#N)CC(=O)[O-])cc1	ZINC000738639426	582067209	/nfs/dbraw/zinc/06/72/09/582067209.db2.gz	PJSIWZWSCWCPJN-UHFFFAOYSA-N	-1	0	262.265	0.811	20	30		CCEDRM
CNC(=S)NN=Cc1cc([O-])ccc1[N+](=O)[O-]	ZINC000751131326	582071423	/nfs/dbraw/zinc/07/14/23/582071423.db2.gz	PHCHIWQMGGDLLE-UHFFFAOYSA-N	-1	0	254.271	0.728	20	30		CCEDRM
CC(C)(CNC(=O)[O-])NS(=O)(=O)c1ccc(C#N)nc1	ZINC000738752105	582073326	/nfs/dbraw/zinc/07/33/26/582073326.db2.gz	JUDQTLCBYAIKCK-UHFFFAOYSA-N	-1	0	298.324	0.278	20	30		CCEDRM
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CC(C)NC(=O)[C@H](C#N)C(=O)[C@@H]1CCN(C(=O)[O-])C1	ZINC000738854044	582083406	/nfs/dbraw/zinc/08/34/06/582083406.db2.gz	LSIDBTUIHPLTNI-RKDXNWHRSA-N	-1	0	267.285	0.220	20	30		CCEDRM
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O=C([O-])Cn1cc(C=NOCC(F)(F)F)nn1	ZINC000768482307	582107351	/nfs/dbraw/zinc/10/73/51/582107351.db2.gz	DHSOFFVEOVZSQP-UHFFFAOYSA-N	-1	0	252.152	0.276	20	30		CCEDRM
C=C(Br)COC(=O)[C@H]1COCCN1C(=O)[O-]	ZINC000823474975	613238972	/nfs/dbraw/zinc/23/89/72/613238972.db2.gz	SJWWLCUMCJKEOR-SSDOTTSWSA-N	-1	0	294.101	0.817	20	30		CCEDRM
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C#CCCCNC(=O)N(C)[C@@H](COCC)C(=O)[O-]	ZINC000909028763	612981328	/nfs/dbraw/zinc/98/13/28/612981328.db2.gz	VZMUNFSZYQKRSK-JTQLQIEISA-N	-1	0	256.302	0.531	20	30		CCEDRM
C#CCCCNC(=O)N1CCC[C@H]1CNC(=O)[O-]	ZINC000823444137	612981412	/nfs/dbraw/zinc/98/14/12/612981412.db2.gz	DWFZTUVVCVQFIJ-JTQLQIEISA-N	-1	0	253.302	0.841	20	30		CCEDRM
CC[S@@](C)(=O)=NS(=O)(=O)[N-]C[C@H](C)C#N	ZINC000866895727	616011457	/nfs/dbraw/zinc/01/14/57/616011457.db2.gz	YHGJLFBTUKKXJO-NXSYQRQQSA-N	-1	0	253.349	0.098	20	30		CCEDRM
CC[S@](C)(=O)=NS(=O)(=O)[N-][C@@H](C#N)C(C)C	ZINC000906065954	616021714	/nfs/dbraw/zinc/02/17/14/616021714.db2.gz	WAEAQHWPYDEYPE-AYVTZFPOSA-N	-1	0	267.376	0.487	20	30		CCEDRM
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Cc1cccc(NC(=O)C(=O)N[C@H](C)C(=O)[O-])c1C#N	ZINC000818944432	597519669	/nfs/dbraw/zinc/51/96/69/597519669.db2.gz	VBMQTDVWVBHWMW-MRVPVSSYSA-N	-1	0	275.264	0.395	20	30		CCEDRM
C[C@@H]1COCCN(C(=O)[C@@](C)(C#N)CC(=O)[O-])C1	ZINC000820251897	597603654	/nfs/dbraw/zinc/60/36/54/597603654.db2.gz	PTUYBTLOWCYWNM-JOYOIKCWSA-N	-1	0	254.286	0.486	20	30		CCEDRM
C[C@@H](COC(=O)[C@@](C)(C#N)CC(=O)[O-])CS(C)(=O)=O	ZINC000820102047	597617335	/nfs/dbraw/zinc/61/73/35/597617335.db2.gz	NZBANXJAQSDORE-GZMMTYOYSA-N	-1	0	291.325	0.215	20	30		CCEDRM
C[C@@](C#N)(CC(=O)[O-])C(=O)NCC(=O)OCC1CC1	ZINC000819832633	597642605	/nfs/dbraw/zinc/64/26/05/597642605.db2.gz	CDFBUXUZPKUDFF-LBPRGKRZSA-N	-1	0	268.269	0.060	20	30		CCEDRM
C[C@@H]1CN(C(=O)[C@](C)(C#N)CC(=O)[O-])CCS1	ZINC000820246309	597644560	/nfs/dbraw/zinc/64/45/60/597644560.db2.gz	UWMJOCPNTMVJEJ-KCJUWKMLSA-N	-1	0	256.327	0.955	20	30		CCEDRM
C[C@](C#N)(CC(=O)[O-])C(=O)NC[C@H](O)c1ccsc1	ZINC000819835956	597648234	/nfs/dbraw/zinc/64/82/34/597648234.db2.gz	YVFSZMOMILNHLF-JOYOIKCWSA-N	-1	0	282.321	0.902	20	30		CCEDRM
C[C@](C#N)(CC(=O)[O-])C(=O)N[C@H]1CC[C@@H](CO)CC1	ZINC000819848474	597658665	/nfs/dbraw/zinc/65/86/65/597658665.db2.gz	SRDKZGPJTKTUSC-GBIKHYSHSA-N	-1	0	268.313	0.658	20	30		CCEDRM
C[C@@](O)(CNC(=O)[C@@](C)(C#N)CC(=O)[O-])C(F)(F)F	ZINC000819835486	597659925	/nfs/dbraw/zinc/65/99/25/597659925.db2.gz	VJCLPYPMHWJBND-RKDXNWHRSA-N	-1	0	282.218	0.420	20	30		CCEDRM
Cc1nnc(SCC(=O)NCC(=O)[O-])c(C#N)c1C	ZINC000821224783	597752006	/nfs/dbraw/zinc/75/20/06/597752006.db2.gz	LMOYDRFKGOXTRT-UHFFFAOYSA-N	-1	0	280.309	0.258	20	30		CCEDRM
C[C@@H](C#N)CNC(=O)C(=O)Nc1ccc(C(=O)[O-])cc1F	ZINC000819873318	598170944	/nfs/dbraw/zinc/17/09/44/598170944.db2.gz	ADZPAWHTOKYASX-ZETCQYMHSA-N	-1	0	293.254	0.738	20	30		CCEDRM
Cc1cc(NC(=O)NCCC(=O)[O-])nn1CCC#N	ZINC000821029434	598198591	/nfs/dbraw/zinc/19/85/91/598198591.db2.gz	RQVQNRAHEUPYGK-UHFFFAOYSA-N	-1	0	265.273	0.701	20	30		CCEDRM
C[C@](C#N)(CC(=O)[O-])C(=O)Nc1nnc2ccccn21	ZINC000819865866	598223879	/nfs/dbraw/zinc/22/38/79/598223879.db2.gz	PAOVIBLLYDMHIL-GFCCVEGCSA-N	-1	0	273.252	0.672	20	30		CCEDRM
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C[C@@](C#N)(CC(=O)[O-])C(=O)OCC(=O)N1CCCCCC1	ZINC000819866386	598226345	/nfs/dbraw/zinc/22/63/45/598226345.db2.gz	WKMGAGBETBBHJK-AWEZNQCLSA-N	-1	0	296.323	0.937	20	30		CCEDRM
C[C@H]1CN(C(=O)[C@](C)(C#N)CC(=O)[O-])CCCO1	ZINC000820245558	598226594	/nfs/dbraw/zinc/22/65/94/598226594.db2.gz	OHIKKEAXSCNPQA-CABZTGNLSA-N	-1	0	254.286	0.628	20	30		CCEDRM
C[C@@](C#N)(CC(=O)[O-])C(=O)NCCCN1CCCCC1=O	ZINC000819835241	598226889	/nfs/dbraw/zinc/22/68/89/598226889.db2.gz	ULPVHZKSHMBMRE-AWEZNQCLSA-N	-1	0	295.339	0.510	20	30		CCEDRM
C[C@@](C#N)(CC(=O)[O-])C(=O)NCCCOC1CCOCC1	ZINC000819835166	598228433	/nfs/dbraw/zinc/22/84/33/598228433.db2.gz	SGCITQNRNDDBLF-AWEZNQCLSA-N	-1	0	298.339	0.693	20	30		CCEDRM
Cc1ccn2c(c1)nnc2NC(=O)[C@](C)(C#N)CC(=O)[O-]	ZINC000821131084	598230177	/nfs/dbraw/zinc/23/01/77/598230177.db2.gz	SPTZRHFQHAZYHT-ZDUSSCGKSA-N	-1	0	287.279	0.981	20	30		CCEDRM
C#CCO[N-]C(=O)[C@@H]1Cc2ccccc2N1C(C)=O	ZINC000812786302	612992726	/nfs/dbraw/zinc/99/27/26/612992726.db2.gz	IFNRLZZFVJLORA-ZDUSSCGKSA-N	-1	0	258.277	0.645	20	30		CCEDRM
C#CCO[C@H](C)C(=O)N1CCSC[C@@H]1CC(=O)[O-]	ZINC000909011028	613000152	/nfs/dbraw/zinc/00/01/52/613000152.db2.gz	MQXJFHIPVSFLOE-ZJUUUORDSA-N	-1	0	271.338	0.443	20	30		CCEDRM
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C#CCN(CC)S(=O)(=O)c1c[nH]c(C(=O)[O-])c1	ZINC000164456275	600723163	/nfs/dbraw/zinc/72/31/63/600723163.db2.gz	CJNVREDSYDUYGY-UHFFFAOYSA-N	-1	0	256.283	0.357	20	30		CCEDRM
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C#CCN(CC#CC)CC(=O)N1CCC(C(=O)[O-])CC1	ZINC000688560097	600836172	/nfs/dbraw/zinc/83/61/72/600836172.db2.gz	KJOBMARXXZWPAA-UHFFFAOYSA-N	-1	0	276.336	0.268	20	30		CCEDRM
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Cc1ccc(C#N)cc1NC(=O)Cn1cc(C(=O)[O-])nn1	ZINC000090716977	601279145	/nfs/dbraw/zinc/27/91/45/601279145.db2.gz	DVOPDFAREQHFLA-UHFFFAOYSA-N	-1	0	285.263	0.795	20	30		CCEDRM
C#CCN(CC#C)S(=O)(=O)c1ccc(CC(=O)[O-])cc1	ZINC000688524839	601387020	/nfs/dbraw/zinc/38/70/20/601387020.db2.gz	AYTRLGVSAXTUJP-UHFFFAOYSA-N	-1	0	291.328	0.571	20	30		CCEDRM
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Cn1cc(C#N)cc1C(=O)N1CC[C@@](F)(C(=O)[O-])C1	ZINC000833040451	601659621	/nfs/dbraw/zinc/65/96/21/601659621.db2.gz	IDGVZNFEJYCSON-LBPRGKRZSA-N	-1	0	265.244	0.536	20	30		CCEDRM
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N#Cc1cnccc1NC(=O)[C@H]1CC[C@H](NC(=O)[O-])C1	ZINC000831161747	603984872	/nfs/dbraw/zinc/98/48/72/603984872.db2.gz	KSIRIKBRVGCKIF-WPRPVWTQSA-N	-1	0	274.280	0.750	20	30		CCEDRM
N#CCCN(CCC#N)C(=O)COC1CN(C(=O)[O-])C1	ZINC000831097945	603985730	/nfs/dbraw/zinc/98/57/30/603985730.db2.gz	ZINADYBRKIINIZ-UHFFFAOYSA-N	-1	0	280.284	0.021	20	30		CCEDRM
N#CCCn1ccc(NC(=O)COC2CN(C(=O)[O-])C2)n1	ZINC000831097537	604012972	/nfs/dbraw/zinc/01/29/72/604012972.db2.gz	KJEJODPTQCRAKU-UHFFFAOYSA-N	-1	0	293.283	0.114	20	30		CCEDRM
C[C@H](CN(C)C(=O)[O-])C(=O)Nc1ccn(CCC#N)n1	ZINC000824880690	604180047	/nfs/dbraw/zinc/18/00/47/604180047.db2.gz	KXLHHQKNNMLIMC-SECBINFHSA-N	-1	0	279.300	0.981	20	30		CCEDRM
Cc1[nH]c(C(=O)[O-])c(C)c1C(=O)N1CCO[C@H](C#N)C1	ZINC000161268958	604308474	/nfs/dbraw/zinc/30/84/74/604308474.db2.gz	YDOFNMXFNSWTCC-SECBINFHSA-N	-1	0	277.280	0.694	20	30		CCEDRM
N#Cc1ccc([C@@H](O)CN2CCN(C(=O)[O-])CC2)cc1	ZINC000831122803	604413599	/nfs/dbraw/zinc/41/35/99/604413599.db2.gz	SFQNSVBTPYBTBK-ZDUSSCGKSA-N	-1	0	275.308	0.887	20	30		CCEDRM
C[C@H](NC(=O)[O-])[C@H]1CN(C(=O)NCCCCC#N)CCO1	ZINC000825317735	604546365	/nfs/dbraw/zinc/54/63/65/604546365.db2.gz	JNARXFFJBUWXOG-WDEREUQCSA-N	-1	0	298.343	0.747	20	30		CCEDRM
C[C@H](C#N)C(=O)N1CCO[C@H]([C@@H](C)NC(=O)[O-])C1	ZINC000823646482	604676990	/nfs/dbraw/zinc/67/69/90/604676990.db2.gz	COCHZONMXCRKMD-HLTSFMKQSA-N	-1	0	255.274	0.030	20	30		CCEDRM
Cc1ccc(C#N)c(N2CCC(O)(C(=O)[O-])CC2)n1	ZINC000833747495	604718963	/nfs/dbraw/zinc/71/89/63/604718963.db2.gz	QVUVTGZZOLOCTF-UHFFFAOYSA-N	-1	0	261.281	0.678	20	30		CCEDRM
N#Cc1ccc(NC(=O)C(=O)NCCC(=O)[O-])c(Cl)c1	ZINC000819100596	604864992	/nfs/dbraw/zinc/86/49/92/604864992.db2.gz	RYOJNMRKAYXOJM-UHFFFAOYSA-N	-1	0	295.682	0.741	20	30		CCEDRM
C[C@@H]1CCC[C@@](C#N)(NC(=O)[C@@H]2CN(C(=O)[O-])CCO2)C1	ZINC000825880093	604923985	/nfs/dbraw/zinc/92/39/85/604923985.db2.gz	HBVFSNSTMIDGMU-UHIISALHSA-N	-1	0	295.339	0.954	20	30		CCEDRM
N#CCCCS(=O)(=O)N1CCCC[C@H]1CC(=O)[O-]	ZINC000833759945	604956292	/nfs/dbraw/zinc/95/62/92/604956292.db2.gz	AVMYWTBTCSEXFI-JTQLQIEISA-N	-1	0	274.342	0.949	20	30		CCEDRM
C[C@@H](C(N)=O)N(C)Cc1cccc(C(=O)[O-])c1C#N	ZINC000833407081	604972798	/nfs/dbraw/zinc/97/27/98/604972798.db2.gz	IKIVBFUQVOUFMN-QMMMGPOBSA-N	-1	0	261.281	0.562	20	30		CCEDRM
C[C@@H](C(=O)[O-])n1cccc1C=NN1CCN(C)CC1	ZINC000833406397	605038092	/nfs/dbraw/zinc/03/80/92/605038092.db2.gz	DIULXTJXKCRDGO-NSHDSACASA-N	-1	0	264.329	0.715	20	30		CCEDRM
Cc1ccc(F)cc1C(=O)C(=O)N(CC#N)CC(=O)[O-]	ZINC000833749866	605080316	/nfs/dbraw/zinc/08/03/16/605080316.db2.gz	XSNRYOKARUNVRR-UHFFFAOYSA-N	-1	0	278.239	0.754	20	30		CCEDRM
CC(C)c1cc(C(=O)N(CC#N)CC(=O)[O-])cc(=O)[nH]1	ZINC000833508583	605173264	/nfs/dbraw/zinc/17/32/64/605173264.db2.gz	NKCDSDADASNPFZ-UHFFFAOYSA-N	-1	0	277.280	0.961	20	30		CCEDRM
C[C@@H](CN(C)C(=O)[O-])C(=O)OC1CCN(CC#N)CC1	ZINC000824891121	605269056	/nfs/dbraw/zinc/26/90/56/605269056.db2.gz	ZHBQRBVZYYEWEH-JTQLQIEISA-N	-1	0	283.328	0.763	20	30		CCEDRM
N#CCN1CCC(OC(=O)C2CCN(C(=O)[O-])CC2)CC1	ZINC000831102258	605269577	/nfs/dbraw/zinc/26/95/77/605269577.db2.gz	DMCVWGRJUUTTTH-UHFFFAOYSA-N	-1	0	295.339	0.908	20	30		CCEDRM
C[C@@H](C#N)COC(=O)C[C@@H]1CN(C(=O)[O-])CCO1	ZINC000823646459	605285002	/nfs/dbraw/zinc/28/50/02/605285002.db2.gz	CFYPULDTSTWHRJ-DTWKUNHWSA-N	-1	0	256.258	0.458	20	30		CCEDRM
C[C@H](CC#N)N(C)C(=O)CO[C@H]1CCCN(C(=O)[O-])C1	ZINC000824545025	605388548	/nfs/dbraw/zinc/38/85/48/605388548.db2.gz	UKTXCHFZMXUKGK-MNOVXSKESA-N	-1	0	283.328	0.906	20	30		CCEDRM
N#CCCCCS(=O)(=O)NCC1(NC(=O)[O-])CCC1	ZINC000833967540	605406647	/nfs/dbraw/zinc/40/66/47/605406647.db2.gz	FSBPMNISBPOCBC-UHFFFAOYSA-N	-1	0	289.357	0.790	20	30		CCEDRM
C#CCCNC(=O)N1CCO[C@H]([C@H](C)NC(=O)[O-])C1	ZINC000823445292	613047022	/nfs/dbraw/zinc/04/70/22/613047022.db2.gz	XKRJZKZSJALVEB-UWVGGRQHSA-N	-1	0	269.301	0.076	20	30		CCEDRM
Cc1cc(NC(=O)NCCN(C)C(=O)[O-])nn1CCC#N	ZINC000833900666	605574525	/nfs/dbraw/zinc/57/45/25/605574525.db2.gz	WFFQQBAANLGLCQ-UHFFFAOYSA-N	-1	0	294.315	0.837	20	30		CCEDRM
COC[C@@H](C#N)OC(=O)CC1(NC(=O)[O-])CCC1	ZINC000833882569	605646523	/nfs/dbraw/zinc/64/65/23/605646523.db2.gz	OPFVNTNYPXVSJB-MRVPVSSYSA-N	-1	0	256.258	0.649	20	30		CCEDRM
Cn1c(Cl)cnc1CN[C@@H]1CN(C(=O)[O-])C[C@H]1C#N	ZINC000833942601	605684690	/nfs/dbraw/zinc/68/46/90/605684690.db2.gz	YPDBGPZLQJYTMM-HTQZYQBOSA-N	-1	0	283.719	0.665	20	30		CCEDRM
N#Cc1cccc(C(=O)COC(=O)CCNC(=O)[O-])c1	ZINC000833975973	605720421	/nfs/dbraw/zinc/72/04/21/605720421.db2.gz	AJANMEDWHOKKJF-UHFFFAOYSA-N	-1	0	276.248	0.942	20	30		CCEDRM
N#Cc1cccc(CC(=O)NCC2CN(C(=O)[O-])C2)c1	ZINC000833978214	605755182	/nfs/dbraw/zinc/75/51/82/605755182.db2.gz	FUQHCMMMHYPDBM-UHFFFAOYSA-N	-1	0	273.292	0.827	20	30		CCEDRM
C[C@@H](NC(=O)[O-])C(=O)OCC1(C#N)CCOCC1	ZINC000833895164	605781289	/nfs/dbraw/zinc/78/12/89/605781289.db2.gz	RMXFTTFKQDZUCJ-MRVPVSSYSA-N	-1	0	256.258	0.506	20	30		CCEDRM
N#CC1(COC(=O)COCCNC(=O)[O-])CCOCC1	ZINC000833964328	605781346	/nfs/dbraw/zinc/78/13/46/605781346.db2.gz	GHXFMNJGLIFOKT-UHFFFAOYSA-N	-1	0	286.284	0.134	20	30		CCEDRM
N#CC1(COC(=O)[C@@H]2CCN(C(=O)[O-])C2)CCOCC1	ZINC000833964512	605781355	/nfs/dbraw/zinc/78/13/55/605781355.db2.gz	JGHMMYQTPWRRKA-SNVBAGLBSA-N	-1	0	282.296	0.850	20	30		CCEDRM
N#Cc1ccc([C@H](O)C(=O)N[C@H]2CCN(C(=O)[O-])C2)cc1	ZINC000833972876	605838323	/nfs/dbraw/zinc/83/83/23/605838323.db2.gz	IFBVWOJEEXXPSJ-RYUDHWBXSA-N	-1	0	289.291	0.460	20	30		CCEDRM
Cn1ncc2c1ncnc2N=NC1CCC[C@H]1NC(=O)[O-]	ZINC000833961913	605857966	/nfs/dbraw/zinc/85/79/66/605857966.db2.gz	NFFUQVSOIUYEEH-MRVPVSSYSA-N	-1	0	289.299	0.951	20	30		CCEDRM
C#CCCNS(=O)(=O)c1ccc(F)cc1C(=O)[O-]	ZINC000833365699	613048114	/nfs/dbraw/zinc/04/81/14/613048114.db2.gz	XNHDJXWLDLCJPL-UHFFFAOYSA-N	-1	0	271.269	0.826	20	30		CCEDRM
N#C[C@@]1(NC(=O)CCCCNC(=O)[O-])CCSC1	ZINC000833963647	605920741	/nfs/dbraw/zinc/92/07/41/605920741.db2.gz	PYXGQPKHERIJIJ-NSHDSACASA-N	-1	0	271.342	0.940	20	30		CCEDRM
N#Cc1cccc(CC(=O)N2CC[C@H](NC(=O)[O-])C2)c1	ZINC000831145910	605952525	/nfs/dbraw/zinc/95/25/25/605952525.db2.gz	FAJPMZYCAWZNFA-LBPRGKRZSA-N	-1	0	273.292	0.969	20	30		CCEDRM
N#C[C@@H]1CN(C(=O)[C@@H](CC(F)F)NC(=O)[O-])CCO1	ZINC000833968893	606040269	/nfs/dbraw/zinc/04/02/69/606040269.db2.gz	YNWLKLCPHIXFAH-RNFRBKRXSA-N	-1	0	277.227	0.029	20	30		CCEDRM
C#CCCS(=O)(=O)[N-]C(=O)CC[C@H]1CC[C@H](C)O1	ZINC000810781334	613052788	/nfs/dbraw/zinc/05/27/88/613052788.db2.gz	OQJXUBYEHDEYDQ-WDEREUQCSA-N	-1	0	273.354	0.803	20	30		CCEDRM
C#CCCS(=O)(=O)[N-]C(=O)CCc1nccs1	ZINC000810784325	613052705	/nfs/dbraw/zinc/05/27/05/613052705.db2.gz	ALSKWUBKJUUKOY-UHFFFAOYSA-N	-1	0	272.351	0.545	20	30		CCEDRM
C#CCCS(=O)(=O)[N-]C(=O)c1ccc2c(c1)COC2	ZINC000810780806	613053641	/nfs/dbraw/zinc/05/36/41/613053641.db2.gz	RUZIIYWFUIOBDG-UHFFFAOYSA-N	-1	0	279.317	0.800	20	30		CCEDRM
C#CC[C@H](CO)NS(=O)(=O)c1cc([O-])cc(F)c1	ZINC000882339864	613059082	/nfs/dbraw/zinc/05/90/82/613059082.db2.gz	JVANBQYDDHKZJP-SECBINFHSA-N	-1	0	273.285	0.194	20	30		CCEDRM
C#CC[C@H](NC(=O)Cn1cc(C2CC2)cn1)C(=O)[O-]	ZINC000910046389	613068308	/nfs/dbraw/zinc/06/83/08/613068308.db2.gz	NUQZWPISRHCUKB-NSHDSACASA-N	-1	0	261.281	0.353	20	30		CCEDRM
Cc1ccc(C(=O)Nc2nc(C#N)c(-c3nn[nH]n3)[n-]2)nc1	ZINC000826282561	607809490	/nfs/dbraw/zinc/80/94/90/607809490.db2.gz	UQMMQIJNPAIPSR-UHFFFAOYSA-N	-1	0	295.266	0.417	20	30		CCEDRM
C#C[C@@H](NC(=O)C1(C(=O)[O-])CCOCC1)[C@H]1CCCO1	ZINC000911577157	613091544	/nfs/dbraw/zinc/09/15/44/613091544.db2.gz	BDDGVRPHXXBAKB-GHMZBOCLSA-N	-1	0	281.308	0.165	20	30		CCEDRM
C#CCN(CC(=O)[O-])S(=O)(=O)c1ccc(OCC)nc1	ZINC000849219429	613103552	/nfs/dbraw/zinc/10/35/52/613103552.db2.gz	UYCYJEAREAURGE-UHFFFAOYSA-N	-1	0	298.320	0.189	20	30		CCEDRM
C#CCN(CC)C(=O)[C@@H](CCSC)NC(=O)[O-]	ZINC000833787423	613106147	/nfs/dbraw/zinc/10/61/47/613106147.db2.gz	OIFFOMOWIXWUHJ-SECBINFHSA-N	-1	0	258.343	0.857	20	30		CCEDRM
CC(C)(C)CS(=O)(=O)[N-]C(=O)CSCC#N	ZINC000112762039	613919103	/nfs/dbraw/zinc/91/91/03/613919103.db2.gz	NCJZEQHKZVWAKS-UHFFFAOYSA-N	-1	0	264.372	0.735	20	30		CCEDRM
CC(C)(CNS(=O)(=O)c1ccc(C#N)cc1)NC(=O)[O-]	ZINC000824011571	614113265	/nfs/dbraw/zinc/11/32/65/614113265.db2.gz	UGVUWFJYQXQNIM-UHFFFAOYSA-N	-1	0	297.336	0.883	20	30		CCEDRM
C#CCCCC(=O)[N-]S(=O)(=O)C1(COC)CC1	ZINC000811154584	612975174	/nfs/dbraw/zinc/97/51/74/612975174.db2.gz	JHWYQRPBBYUJJW-UHFFFAOYSA-N	-1	0	259.327	0.415	20	30		CCEDRM
CC(C)C[C@H](NC(=O)CNc1nccnc1C#N)C(=O)[O-]	ZINC000833493278	614219568	/nfs/dbraw/zinc/21/95/68/614219568.db2.gz	VMOFYHYCLSGUBN-VIFPVBQESA-N	-1	0	291.311	0.376	20	30		CCEDRM
C#CCCCNC(=O)C(=O)NC[C@H](C(=O)[O-])C1CCC1	ZINC000853345316	612980252	/nfs/dbraw/zinc/98/02/52/612980252.db2.gz	QNNNHZMKLFYHRU-NSHDSACASA-N	-1	0	280.324	0.133	20	30		CCEDRM
COc1ccc(S(=O)(=O)[N-]C(=O)CCCC#N)cn1	ZINC000813091187	617277624	/nfs/dbraw/zinc/27/76/24/617277624.db2.gz	HJLCMFDBNMDVOD-UHFFFAOYSA-N	-1	0	283.309	0.589	20	30		CCEDRM
COc1ccc2c(c1)OCC2=NNCCC(=O)[O-]	ZINC000820853160	617286408	/nfs/dbraw/zinc/28/64/08/617286408.db2.gz	GMCJNVJSJISLHM-UHFFFAOYSA-N	-1	0	250.254	0.856	20	30		CCEDRM
C#CCC1(NC(=O)N=c2nn[n-]n2CC)CCCCC1	ZINC000931679792	612969049	/nfs/dbraw/zinc/96/90/49/612969049.db2.gz	XZWSJWGAZHDYQP-UHFFFAOYSA-N	-1	0	276.344	0.963	20	30		CCEDRM
C#CCCc1cc(=O)n(CC(C)(C)S(C)(=O)=O)[n-]1	ZINC000899352702	612974412	/nfs/dbraw/zinc/97/44/12/612974412.db2.gz	CCIGISXCOCRULP-UHFFFAOYSA-N	-1	0	270.354	0.811	20	30		CCEDRM
C#CCCCC(=O)N1CCC(n2cc(C(=O)[O-])nn2)CC1	ZINC000909984926	612974627	/nfs/dbraw/zinc/97/46/27/612974627.db2.gz	CQCVAKKGGYQIDR-UHFFFAOYSA-N	-1	0	290.323	0.943	20	30		CCEDRM
C#CCCCN=c1nn[n-]n1Cc1ccc(OC)cc1	ZINC000865564396	612978711	/nfs/dbraw/zinc/97/87/11/612978711.db2.gz	CKQFGODHPPKBTM-UHFFFAOYSA-N	-1	0	271.324	0.977	20	30		CCEDRM
C#CCOCCC(=O)[N-]S(=O)(=O)c1cnc(C)s1	ZINC000755867773	612980111	/nfs/dbraw/zinc/98/01/11/612980111.db2.gz	IHRAJUBSMPNTFA-UHFFFAOYSA-N	-1	0	288.350	0.296	20	30		CCEDRM
C#CCCCNC(=O)C1(OC)CCN(C(=O)[O-])CC1	ZINC000823444584	612981066	/nfs/dbraw/zinc/98/10/66/612981066.db2.gz	NCBOJMDZNUKEKL-UHFFFAOYSA-N	-1	0	268.313	0.675	20	30		CCEDRM
C#CCOCCNC(=O)N1CC[C@](C)(C(=O)[O-])C1	ZINC000840988676	612986748	/nfs/dbraw/zinc/98/67/48/612986748.db2.gz	DEDMSSGXLCHQLA-LBPRGKRZSA-N	-1	0	254.286	0.142	20	30		CCEDRM
C#CCOCCNC(=O)[C@@H]1CCCC[C@@H]1C(=O)[O-]	ZINC000872858416	612988296	/nfs/dbraw/zinc/98/82/96/612988296.db2.gz	WHDMSGUSXIOJPX-MNOVXSKESA-N	-1	0	253.298	0.643	20	30		CCEDRM
C#CCO[N-]C(=O)CNC(=O)c1c(F)cccc1Cl	ZINC000812786839	612992048	/nfs/dbraw/zinc/99/20/48/612992048.db2.gz	SNQOHTXMFXBEGY-UHFFFAOYSA-N	-1	0	284.674	0.890	20	30		CCEDRM
C#CCO[N-]C(=O)COc1ccc(C#N)cc1OC	ZINC000812781975	612992188	/nfs/dbraw/zinc/99/21/88/612992188.db2.gz	KZNZZLYVVWUNEN-UHFFFAOYSA-N	-1	0	260.249	0.627	20	30		CCEDRM
C#CCO[N-]C(=O)[C@@H](CCCC)NC(=O)NCC	ZINC000855606731	612992404	/nfs/dbraw/zinc/99/24/04/612992404.db2.gz	OYBXWPUZGIBQGP-SNVBAGLBSA-N	-1	0	255.318	0.545	20	30		CCEDRM
C#CCO[N-]C(=O)[C@@H]1CCN(c2ccc(F)cc2)C1=O	ZINC000812786717	612992728	/nfs/dbraw/zinc/99/27/28/612992728.db2.gz	QAYDRAKVVDJCDS-LBPRGKRZSA-N	-1	0	276.267	0.860	20	30		CCEDRM
C#CCO[C@@H](C)C(=O)N[C@@](C)(CC(=O)[O-])c1ccncc1	ZINC000911622409	612997315	/nfs/dbraw/zinc/99/73/15/612997315.db2.gz	BQRWUADDPYUKPD-NHYWBVRUSA-N	-1	0	290.319	0.926	20	30		CCEDRM
C#CCO[C@H](C)C(=O)N1CCC[C@](C)(C(=O)[O-])C1	ZINC000909842626	612999556	/nfs/dbraw/zinc/99/95/56/612999556.db2.gz	NWNXYAFHLRLBNM-MFKMUULPSA-N	-1	0	253.298	0.738	20	30		CCEDRM
C#CCO[C@H](C)C(=O)[N-]S(=O)(=O)CCc1ccccc1	ZINC000835118022	613002091	/nfs/dbraw/zinc/00/20/91/613002091.db2.gz	QEAHKXXKJJCSCL-GFCCVEGCSA-N	-1	0	295.360	0.713	20	30		CCEDRM
C#CCO[C@H](C)C(=O)[N-]S(=O)(=O)c1cnccc1C	ZINC000842393831	613002464	/nfs/dbraw/zinc/00/24/64/613002464.db2.gz	ANKLROKRHCMLGU-SNVBAGLBSA-N	-1	0	282.321	0.233	20	30		CCEDRM
C#CCO[C@H](C)C(=O)N[C@@H]1CCCn2nc(C(=O)[O-])cc21	ZINC000908119032	613002827	/nfs/dbraw/zinc/00/28/27/613002827.db2.gz	YCNIHXAMWXZIEZ-NXEZZACHSA-N	-1	0	291.307	0.571	20	30		CCEDRM
C#CCOc1ccc(NC(=O)NC[C@@](C)(O)C(=O)[O-])cc1	ZINC000841836051	613007252	/nfs/dbraw/zinc/00/72/52/613007252.db2.gz	PSOZIWUSJTVXHZ-CQSZACIVSA-N	-1	0	292.291	0.656	20	30		CCEDRM
C#CC[C@@H](CO)NC(=O)c1cc([N+](=O)[O-])ccc1[O-]	ZINC000854544833	613028980	/nfs/dbraw/zinc/02/89/80/613028980.db2.gz	WOUBENREEWXZSL-QMMMGPOBSA-N	-1	0	264.237	0.414	20	30		CCEDRM
C#CC[C@@H](Cc1ccccc1)NC(=O)c1cc(=O)[nH][n-]1	ZINC000804459056	613039297	/nfs/dbraw/zinc/03/92/97/613039297.db2.gz	QNFOOGOPZUCQMM-LBPRGKRZSA-N	-1	0	269.304	0.613	20	30		CCEDRM
C#CC[C@@H](NC(=O)Cc1ccc2c(c1)CCO2)C(=O)[O-]	ZINC000910050952	613040249	/nfs/dbraw/zinc/04/02/49/613040249.db2.gz	BHTQEEZRFARDRF-GFCCVEGCSA-N	-1	0	273.288	0.757	20	30		CCEDRM
C#CC[C@@H](NC(=O)[C@@H]1CCc2ncncc2C1)C(=O)[O-]	ZINC000910046437	613040727	/nfs/dbraw/zinc/04/07/27/613040727.db2.gz	PLMWHNBUOSGFBJ-BXKDBHETSA-N	-1	0	273.292	0.174	20	30		CCEDRM
C#CC[C@@H](NC(=O)[C@H]1CCc2cccnc21)C(=O)[O-]	ZINC000910048987	613041405	/nfs/dbraw/zinc/04/14/05/613041405.db2.gz	QLCXYZRPJNIEHA-WDEREUQCSA-N	-1	0	258.277	0.704	20	30		CCEDRM
C#CC[C@@H](NC(=O)c1cc(C(F)(F)F)n[nH]1)C(=O)[O-]	ZINC000910051007	613041488	/nfs/dbraw/zinc/04/14/88/613041488.db2.gz	DECSMLRWUKYXKU-RXMQYKEDSA-N	-1	0	275.186	0.635	20	30		CCEDRM
C#CC[C@@H](NC(=O)c1cnc(C2CC2)nc1)C(=O)[O-]	ZINC000910050828	613042312	/nfs/dbraw/zinc/04/23/12/613042312.db2.gz	OLKIVIQFDBYDBA-SNVBAGLBSA-N	-1	0	259.265	0.560	20	30		CCEDRM
C#CCc1c(C)[n-]n(-c2ncnc3[nH]cnc32)c1=O	ZINC000899349137	613043409	/nfs/dbraw/zinc/04/34/09/613043409.db2.gz	VPYSZQMTYRYZET-QMMMGPOBSA-N	-1	0	254.253	0.715	20	30		CCEDRM
C#CC[C@@H](OC(=O)[C@@H]1CN(C(=O)[O-])CCO1)C1CC1	ZINC000823440891	613043414	/nfs/dbraw/zinc/04/34/14/613043414.db2.gz	LYODVEQIVLVJEZ-MNOVXSKESA-N	-1	0	267.281	0.710	20	30		CCEDRM
C#CCCNS(=O)(=O)c1cc(C)c(C(=O)OC)o1	ZINC000851763604	613047985	/nfs/dbraw/zinc/04/79/85/613047985.db2.gz	VLEDXXHOWGDYNW-UHFFFAOYSA-N	-1	0	271.294	0.676	20	30		CCEDRM
C#CCCS(=O)(=O)[N-]C(=O)C(C)(C)C(F)F	ZINC000810783684	613052523	/nfs/dbraw/zinc/05/25/23/613052523.db2.gz	ZRIWUFVWJBDRPK-UHFFFAOYSA-N	-1	0	253.270	0.747	20	30		CCEDRM
C#CCCS(=O)(=O)[N-]C(=O)COCCc1ccccc1	ZINC000810779510	613052738	/nfs/dbraw/zinc/05/27/38/613052738.db2.gz	QCEAVCDDDSFRLP-UHFFFAOYSA-N	-1	0	295.360	0.715	20	30		CCEDRM
C#CCCS(=O)(=O)[N-]C(=O)[C@@H](OC)c1ccc(F)cc1	ZINC000860722183	613053218	/nfs/dbraw/zinc/05/32/18/613053218.db2.gz	TUYYBKIDUMQZLE-LBPRGKRZSA-N	-1	0	299.323	0.983	20	30		CCEDRM
C#CCCS(=O)(=O)[N-]C(=O)c1cccc(SC)n1	ZINC000842779455	613053514	/nfs/dbraw/zinc/05/35/14/613053514.db2.gz	FBBXPCAKOHXISZ-UHFFFAOYSA-N	-1	0	284.362	0.886	20	30		CCEDRM
C#CCCS(=O)(=O)[N-]C(=O)c1ccc2c(c1)nnn2C	ZINC000791110540	613053516	/nfs/dbraw/zinc/05/35/16/613053516.db2.gz	FARWRFNCMSMZLG-UHFFFAOYSA-N	-1	0	292.320	0.051	20	30		CCEDRM
C#CCCS(=O)(=O)[N-]C(=O)c1cc(C)ccc1[N+](=O)[O-]	ZINC000810782751	613053523	/nfs/dbraw/zinc/05/35/23/613053523.db2.gz	WWDZCZLLCRPLTK-UHFFFAOYSA-N	-1	0	296.304	0.986	20	30		CCEDRM
C#CCCS(=O)(=O)[N-]C(=O)c1ccnn1C(C)C	ZINC000810785076	613053814	/nfs/dbraw/zinc/05/38/14/613053814.db2.gz	WNNUNWSNWKTSCX-UHFFFAOYSA-N	-1	0	269.326	0.547	20	30		CCEDRM
C#CC[C@H](CO)NC(=O)[C@@]1(C(=O)[O-])C[C@H]1c1ccccc1	ZINC000907821438	613057018	/nfs/dbraw/zinc/05/70/18/613057018.db2.gz	JWMHEXIEVGCOQL-DVOMOZLQSA-N	-1	0	287.315	0.745	20	30		CCEDRM
C#CCC[C@@H](O)CNC(=O)c1ccc([O-])c([N+](=O)[O-])c1	ZINC000799073321	613058891	/nfs/dbraw/zinc/05/88/91/613058891.db2.gz	GIJJCXWJPSCYEH-SNVBAGLBSA-N	-1	0	278.264	0.805	20	30		CCEDRM
C#CC[C@H](NC(=O)CCc1ccc(O)cc1)C(=O)[O-]	ZINC000910051864	613067671	/nfs/dbraw/zinc/06/76/71/613067671.db2.gz	IKRMGFIBMBFEHL-LBPRGKRZSA-N	-1	0	261.277	0.918	20	30		CCEDRM
C#CC[C@H](NC(=O)Cn1cc(Cl)cn1)C(=O)[O-]	ZINC000910051443	613068272	/nfs/dbraw/zinc/06/82/72/613068272.db2.gz	VHWRBMSWGHPXAT-QMMMGPOBSA-N	-1	0	255.661	0.129	20	30		CCEDRM
C#CC[C@H](NC(=O)c1cc(C(F)F)n[nH]1)C(=O)[O-]	ZINC000910050634	613069897	/nfs/dbraw/zinc/06/98/97/613069897.db2.gz	MHVDBFUUBDCFEZ-YFKPBYRVSA-N	-1	0	257.196	0.554	20	30		CCEDRM
C#CC[C@H](NC(=O)c1ccc(COC)o1)C(=O)[O-]	ZINC000910053180	613070257	/nfs/dbraw/zinc/07/02/57/613070257.db2.gz	OCIBFQOJMYDLPY-VIFPVBQESA-N	-1	0	251.238	0.632	20	30		CCEDRM
C#CC[C@H](NC(=O)c1cnn(C2CCC2)c1)C(=O)[O-]	ZINC000907717915	613070539	/nfs/dbraw/zinc/07/05/39/613070539.db2.gz	AFNCPNYVKOJQPK-NSHDSACASA-N	-1	0	261.281	0.814	20	30		CCEDRM
C#CC[C@H](OC(=O)CN1CCN(C(=O)[O-])CC1=O)C(C)C	ZINC000823441001	613071464	/nfs/dbraw/zinc/07/14/64/613071464.db2.gz	PGNLLWHWNIRBGP-NSHDSACASA-N	-1	0	296.323	0.400	20	30		CCEDRM
C#C[C@@H](NC(=O)C(=O)Nc1cccnc1C(=O)[O-])C(C)C	ZINC000850788104	613091206	/nfs/dbraw/zinc/09/12/06/613091206.db2.gz	LYBONBRIIGVVCC-SECBINFHSA-N	-1	0	289.291	0.492	20	30		CCEDRM
C#CCN(CC#CC)C(=O)CCOC1CN(C(=O)[O-])C1	ZINC000833787428	613099574	/nfs/dbraw/zinc/09/95/74/613099574.db2.gz	OSFXHADKWGIPME-UHFFFAOYSA-N	-1	0	278.308	0.240	20	30		CCEDRM
C#C[C@@H](OC(=O)[C@H](NS(C)(=O)=O)C(C)(C)C)C1CC1	ZINC000152449536	613100724	/nfs/dbraw/zinc/10/07/24/613100724.db2.gz	MCGPDYJMTQZDOW-MNOVXSKESA-N	-1	0	287.381	0.905	20	30		CCEDRM
C#CCN(CC(=O)[O-])S(=O)(=O)Cc1ccc(C)cc1F	ZINC000849218600	613103522	/nfs/dbraw/zinc/10/35/22/613103522.db2.gz	CSZCTXUXTRCVRR-UHFFFAOYSA-N	-1	0	299.323	0.984	20	30		CCEDRM
C#CCN(CC(=O)[O-])S(=O)(=O)CC1CCCC1	ZINC000849219170	613103527	/nfs/dbraw/zinc/10/35/27/613103527.db2.gz	LHNZJLOWGKYONI-UHFFFAOYSA-N	-1	0	259.327	0.526	20	30		CCEDRM
C#CCN(CC(=O)[O-])S(=O)(=O)C1(C(C)C)CC1	ZINC000863409687	613103576	/nfs/dbraw/zinc/10/35/76/613103576.db2.gz	IUDGBNQQIQVWTC-UHFFFAOYSA-N	-1	0	259.327	0.525	20	30		CCEDRM
C#C[C@H](NC(=O)C1(C(=O)[O-])CCC1)[C@H]1CCCO1	ZINC000911581562	613132231	/nfs/dbraw/zinc/13/22/31/613132231.db2.gz	ZAESZLACZSZZEX-VHSXEESVSA-N	-1	0	251.282	0.538	20	30		CCEDRM
C#C[C@H](NC(=O)c1ccc(C(=O)[O-])c(C)n1)[C@@H]1CCCO1	ZINC000911579789	613148668	/nfs/dbraw/zinc/14/86/68/613148668.db2.gz	PUFYHLLUASLCNQ-AAEUAGOBSA-N	-1	0	288.303	0.999	20	30		CCEDRM
C#Cc1ccc(C(=O)N2CCC[C@H]2CNC(=O)[O-])nc1	ZINC000823467558	613169456	/nfs/dbraw/zinc/16/94/56/613169456.db2.gz	ZXMUICPDJZCNNG-NSHDSACASA-N	-1	0	273.292	0.935	20	30		CCEDRM
C#Cc1cccc(CNC(=O)[C@@H]2CC[C@@H](C(=O)[O-])O2)c1	ZINC000840729798	613201075	/nfs/dbraw/zinc/20/10/75/613201075.db2.gz	DGEORHCLFIYOLU-STQMWFEESA-N	-1	0	273.288	0.916	20	30		CCEDRM
C#Cc1cccc(NC(=O)CNC(=O)[C@H](CC)C(=O)[O-])c1	ZINC000908745159	613204208	/nfs/dbraw/zinc/20/42/08/613204208.db2.gz	ZSNDDUJCRBNTIF-LBPRGKRZSA-N	-1	0	288.303	0.833	20	30		CCEDRM
C#CCN1CCN(C(=O)[C@@H]2CC[C@H](NC(=O)[O-])C2)CC1	ZINC000823451454	613206856	/nfs/dbraw/zinc/20/68/56/613206856.db2.gz	VVOSSVOXFWYBAF-NEPJUHHUSA-N	-1	0	279.340	0.200	20	30		CCEDRM
COc1ccnc(C(=O)N2CCN(C(=O)[O-])C[C@H]2C#N)c1	ZINC000829649896	617324096	/nfs/dbraw/zinc/32/40/96/617324096.db2.gz	MMYDCMGYLTUSNE-SECBINFHSA-N	-1	0	290.279	0.418	20	30		CCEDRM
C=C(C)CN(CC)C(=O)CCCn1c(=O)[n-][nH]c1=O	ZINC000906077721	613293011	/nfs/dbraw/zinc/29/30/11/613293011.db2.gz	VKQNDYSCTTUHEZ-UHFFFAOYSA-N	-1	0	268.317	0.894	20	30		CCEDRM
C=C(C)CN(CC)C(=O)COC(=O)c1cc(C(=O)[O-])no1	ZINC000833369212	613293769	/nfs/dbraw/zinc/29/37/69/613293769.db2.gz	JXMKLNDJVNDCEN-UHFFFAOYSA-N	-1	0	296.279	0.954	20	30		CCEDRM
C=C(C)CN(CC)C(=O)[C@H](C)N1CCO[C@H](CC(=O)[O-])C1	ZINC000825642026	613294160	/nfs/dbraw/zinc/29/41/60/613294160.db2.gz	DFQBXKWCESJJPO-QWHCGFSZSA-N	-1	0	298.383	0.975	20	30		CCEDRM
C#CCNC(=O)COC(=O)c1ccc(C(=O)[O-])c(F)c1	ZINC000825619486	613332886	/nfs/dbraw/zinc/33/28/86/613332886.db2.gz	NJJZLJBYTJBFBC-UHFFFAOYSA-N	-1	0	279.223	0.430	20	30		CCEDRM
C=C(C)CNC(=O)c1cc(=O)cc(C(=O)NCC(=C)C)[n-]1	ZINC000935484109	613346492	/nfs/dbraw/zinc/34/64/92/613346492.db2.gz	XBYAASDJIGSYFO-UHFFFAOYSA-N	-1	0	289.335	0.987	20	30		CCEDRM
C=C(C)COCCNC(=O)N1CC[C@H](N(C)C(=O)[O-])C1	ZINC000823480364	613351880	/nfs/dbraw/zinc/35/18/80/613351880.db2.gz	ADLBGBRGXJDCJO-NSHDSACASA-N	-1	0	285.344	0.973	20	30		CCEDRM
C=C(C)COCCNC(=O)N1CCN(C(=O)[O-])C[C@@H]1C	ZINC000823480482	613351895	/nfs/dbraw/zinc/35/18/95/613351895.db2.gz	DOMSQSWFYMIPSG-NSHDSACASA-N	-1	0	285.344	0.973	20	30		CCEDRM
C=C(C)CO[N-]C(=O)C(F)(F)C(=O)N1CCOCC1	ZINC000844780388	613352353	/nfs/dbraw/zinc/35/23/53/613352353.db2.gz	QZIGULQRRVGLNB-UHFFFAOYSA-N	-1	0	278.255	0.104	20	30		CCEDRM
C=C(C)CO[N-]C(=O)COCc1cc[nH]c(=O)c1	ZINC000862132775	613352531	/nfs/dbraw/zinc/35/25/31/613352531.db2.gz	MWGYGVUZALJEQV-UHFFFAOYSA-N	-1	0	252.270	0.928	20	30		CCEDRM
C=C(C)CO[N-]C(=O)[C@H](O)[C@@H](O)c1nc2ccccc2[nH]1	ZINC000846534776	613353831	/nfs/dbraw/zinc/35/38/31/613353831.db2.gz	AZNLDJNRGOAORW-VXGBXAGGSA-N	-1	0	291.307	0.581	20	30		CCEDRM
C=C(C)CO[N-]C(=O)[C@@H](CC(N)=O)NC(=O)CC(C)C	ZINC000846534041	613353845	/nfs/dbraw/zinc/35/38/45/613353845.db2.gz	RXNKAGSVYIOXCN-SNVBAGLBSA-N	-1	0	285.344	0.017	20	30		CCEDRM
C=C(C)CS(=O)(=O)N[C@@H](C(=O)OC)C1CCOCC1	ZINC000882647180	613354210	/nfs/dbraw/zinc/35/42/10/613354210.db2.gz	GXHGZJJHPFJERS-LLVKDONJSA-N	-1	0	291.369	0.450	20	30		CCEDRM
C=C(C)C[C@@H](NC(=O)NC[C@H]1COCCO1)C(=O)[O-]	ZINC000864529725	613355866	/nfs/dbraw/zinc/35/58/66/613355866.db2.gz	YYAZQRVWDAYNNZ-VHSXEESVSA-N	-1	0	272.301	0.120	20	30		CCEDRM
C=C(C)C[C@@H](NC(=O)NC[C@@]1(OC)CCOC1)C(=O)[O-]	ZINC000909190382	613355892	/nfs/dbraw/zinc/35/58/92/613355892.db2.gz	ODAQDOQOCPIFQS-MFKMUULPSA-N	-1	0	286.328	0.511	20	30		CCEDRM
C=C(C)C[C@H](NC(=O)[C@@H](C)C(=O)[O-])C(=O)OCC	ZINC000902692126	613358807	/nfs/dbraw/zinc/35/88/07/613358807.db2.gz	GRSDRUROMZRBAK-BDAKNGLRSA-N	-1	0	257.286	0.721	20	30		CCEDRM
C=C(C)C[C@H](NC(=O)[C@H]1CCn2ccnc2C1)C(=O)[O-]	ZINC000910291590	613359029	/nfs/dbraw/zinc/35/90/29/613359029.db2.gz	JYFCQPJHNKXGRN-QWRGUYRKSA-N	-1	0	277.324	0.981	20	30		CCEDRM
C=C(C)C[C@H](NS(=O)(=O)[C@@H]1CCOC1)C(=O)OCC	ZINC000882644969	613359871	/nfs/dbraw/zinc/35/98/71/613359871.db2.gz	UBDYREHCQJNDDV-MNOVXSKESA-N	-1	0	291.369	0.593	20	30		CCEDRM
C=C(C)C[C@H](NS(=O)(=O)[C@H](C)COC)C(=O)[O-]	ZINC000864452840	613359883	/nfs/dbraw/zinc/35/98/83/613359883.db2.gz	TZSJGFBSAVXJSP-BDAKNGLRSA-N	-1	0	265.331	0.360	20	30		CCEDRM
C=C(C)[C@@H](CC(=O)N1CCC(O)(C(=O)[O-])CC1)OCC	ZINC000833366661	613360209	/nfs/dbraw/zinc/36/02/09/613360209.db2.gz	BGWOHBJXYOHINP-LLVKDONJSA-N	-1	0	285.340	0.796	20	30		CCEDRM
C=C(C)[C@H]1OCC[C@H]1CNC(=O)[C@@H]1C[C@@H]1C(=O)[O-]	ZINC000910251829	613363137	/nfs/dbraw/zinc/36/31/37/613363137.db2.gz	NDZKZBLLIOKUEW-ZRUFSTJUSA-N	-1	0	253.298	0.805	20	30		CCEDRM
C=C(Cl)C[C@@H](NC(=O)NOC[C@H]1CCOC1)C(=O)[O-]	ZINC000909250545	613388553	/nfs/dbraw/zinc/38/85/53/613388553.db2.gz	DBNQOAYJDHBAQU-DTWKUNHWSA-N	-1	0	292.719	0.850	20	30		CCEDRM
C=C(Cl)C[C@@H](NC(=O)c1cncn1C)C(=O)[O-]	ZINC000864190171	613388755	/nfs/dbraw/zinc/38/87/55/613388755.db2.gz	YVYXDMHVTJQKOX-SSDOTTSWSA-N	-1	0	257.677	0.746	20	30		CCEDRM
C=C(Cl)C[C@H](NC(=O)CCCC(=O)N(C)C)C(=O)[O-]	ZINC000864185214	613390565	/nfs/dbraw/zinc/39/05/65/613390565.db2.gz	WGZQELZFSCICHC-VIFPVBQESA-N	-1	0	290.747	0.957	20	30		CCEDRM
C=C(Cl)C[C@H](NS(=O)(=O)c1ccnn1C)C(=O)[O-]	ZINC000863419825	613390898	/nfs/dbraw/zinc/39/08/98/613390898.db2.gz	DQWZUVYQYCGDCF-ZETCQYMHSA-N	-1	0	293.732	0.294	20	30		CCEDRM
C=CCSCCNC(=O)[C@@H]1C[C@@H](O)CN1C(=O)[O-]	ZINC000823516565	613395834	/nfs/dbraw/zinc/39/58/34/613395834.db2.gz	OUOCYUOZWJEWIE-BDAKNGLRSA-N	-1	0	274.342	0.135	20	30		CCEDRM
C=CC[C@@H](C)NC(=O)CCCn1c(=O)[n-][nH]c1=O	ZINC000906724066	613399575	/nfs/dbraw/zinc/39/95/75/613399575.db2.gz	FQPSLYLPOHIWMZ-MRVPVSSYSA-N	-1	0	254.290	0.550	20	30		CCEDRM
C=CC[C@H](CO)CNC(=O)N[C@H]1C[C@H](C(=O)[O-])C1	ZINC000874428762	613415126	/nfs/dbraw/zinc/41/51/26/613415126.db2.gz	PBLSRUGSHHTZKL-GUBZILKMSA-N	-1	0	256.302	0.333	20	30		CCEDRM
C=CCn1cc(C(=O)N2CC[C@H]3[C@@H](C(=O)[O-])[C@H]3C2)nn1	ZINC000905005902	613426935	/nfs/dbraw/zinc/42/69/35/613426935.db2.gz	KBCGVGGRAWBTNB-WCABBAIRSA-N	-1	0	276.296	0.257	20	30		CCEDRM
C=CC(C)(C)C(=O)N(C)CC(=O)N1CCC(C(=O)[O-])CC1	ZINC000909198944	613427778	/nfs/dbraw/zinc/42/77/78/613427778.db2.gz	HSOPQIYLDGZFOT-UHFFFAOYSA-N	-1	0	296.367	0.980	20	30		CCEDRM
C=CCn1cc(C(=O)N[C@@H](CC(=C)Cl)C(=O)[O-])nn1	ZINC000864186198	613430104	/nfs/dbraw/zinc/43/01/04/613430104.db2.gz	KLQWXUPINFSYDG-QMMMGPOBSA-N	-1	0	284.703	0.790	20	30		CCEDRM
C=CCn1cc(C(=O)N[C@@](C)(CC(=O)[O-])C2CC2)nn1	ZINC000864201262	613430620	/nfs/dbraw/zinc/43/06/20/613430620.db2.gz	QMZGEPPZSVZGPP-ZDUSSCGKSA-N	-1	0	278.312	0.837	20	30		CCEDRM
CC(=O)N1CCO[C@@H](C(=O)[N-]Oc2cccc(C#N)c2)C1	ZINC000828148380	613433535	/nfs/dbraw/zinc/43/35/35/613433535.db2.gz	PGPGMXWEUJHRQN-CYBMUJFWSA-N	-1	0	289.291	0.216	20	30		CCEDRM
C=CCn1cc(CNC(=O)CCSCC(=O)[O-])nn1	ZINC000909851448	613433999	/nfs/dbraw/zinc/43/39/99/613433999.db2.gz	SPKFVYQICYFUDR-UHFFFAOYSA-N	-1	0	284.341	0.288	20	30		CCEDRM
C=C[C@@H](C)NS(=O)(=O)c1ccc(F)cc1-c1nn[nH]n1	ZINC000823882689	613442903	/nfs/dbraw/zinc/44/29/03/613442903.db2.gz	BPFSWGSREAKHPB-SSDOTTSWSA-N	-1	0	297.315	0.859	20	30		CCEDRM
C=C[C@@H](C)O[N-]C(=O)CNC(=O)COc1ccccc1	ZINC000846541937	613443664	/nfs/dbraw/zinc/44/36/64/613443664.db2.gz	QFPQJVOALUWTQJ-LLVKDONJSA-N	-1	0	278.308	0.804	20	30		CCEDRM
C=C[C@@H](C)O[N-]C(=O)Cn1nc2ccccn2c1=O	ZINC000846544630	613444049	/nfs/dbraw/zinc/44/40/49/613444049.db2.gz	RMKQPDUANAQBNU-SECBINFHSA-N	-1	0	262.269	0.118	20	30		CCEDRM
C=CC(C)(C)CC(=O)[N-]S(=O)(=O)C[C@H](COC)OC	ZINC000893248717	613446064	/nfs/dbraw/zinc/44/60/64/613446064.db2.gz	WFBNIMCHLPNTBL-JTQLQIEISA-N	-1	0	293.385	0.696	20	30		CCEDRM
C=C[C@@H](C)O[N-]C(=O)[C@H](NS(=O)(=O)C1CC1)C(C)C	ZINC000855026773	613447295	/nfs/dbraw/zinc/44/72/95/613447295.db2.gz	OXPMSYOWKJFORP-MWLCHTKSSA-N	-1	0	290.385	0.715	20	30		CCEDRM
C=C[C@@H](C)O[N-]C(=O)c1cnc2n(c1=O)CCS2	ZINC000846543929	613447547	/nfs/dbraw/zinc/44/75/47/613447547.db2.gz	SSXDIBJOQKNFAE-SSDOTTSWSA-N	-1	0	267.310	0.585	20	30		CCEDRM
C=C[C@@H](CC)CC(=O)N1CCOC[C@H]1c1nnn[n-]1	ZINC000827961454	613448152	/nfs/dbraw/zinc/44/81/52/613448152.db2.gz	OOXXUNGVBLHHDU-UWVGGRQHSA-N	-1	0	265.317	0.702	20	30		CCEDRM
C=CC1(S(=O)(=O)[N-]C(=O)Cc2ncccc2OC)CC1	ZINC000870838276	613450851	/nfs/dbraw/zinc/45/08/51/613450851.db2.gz	SBXSYGAPDXIRSE-UHFFFAOYSA-N	-1	0	296.348	0.797	20	30		CCEDRM
C=CC1(S(=O)(=O)[N-]C(=O)[C@H]2CCSC2)CC1	ZINC000870834167	613451643	/nfs/dbraw/zinc/45/16/43/613451643.db2.gz	QEZYPFZZORGSNO-QMMMGPOBSA-N	-1	0	261.368	0.904	20	30		CCEDRM
C=CC1(S(=O)(=O)[N-]C(=O)c2cccn(C)c2=O)CC1	ZINC000870832781	613451913	/nfs/dbraw/zinc/45/19/13/613451913.db2.gz	QIUMDWHMHSYGNJ-UHFFFAOYSA-N	-1	0	282.321	0.164	20	30		CCEDRM
C=C[C@@H](O)C(=O)N[C@@](C)(CC(=O)[O-])c1ccccn1	ZINC000911616939	613452668	/nfs/dbraw/zinc/45/26/68/613452668.db2.gz	SJAKPBHMYKYZJZ-RNCFNFMXSA-N	-1	0	264.281	0.435	20	30		CCEDRM
C=CCC(C)(C)CNC(=O)NCC(=O)[N-]OCC	ZINC000845532885	613452769	/nfs/dbraw/zinc/45/27/69/613452769.db2.gz	SZHXIDGWMPGGNT-UHFFFAOYSA-N	-1	0	257.334	0.956	20	30		CCEDRM
C=CCC(F)(F)C(=O)[N-]S(=O)(=O)[C@@H]1CCCOC1	ZINC000816010124	613455179	/nfs/dbraw/zinc/45/51/79/613455179.db2.gz	WYTOABLSEZSRLA-MRVPVSSYSA-N	-1	0	283.296	0.823	20	30		CCEDRM
C=CCC1(C(=O)[N-]S(=O)(=O)CCC(=O)OC)CCC1	ZINC000842358448	613456394	/nfs/dbraw/zinc/45/63/94/613456394.db2.gz	SGUVCXWYEAFYEJ-UHFFFAOYSA-N	-1	0	289.353	0.742	20	30		CCEDRM
C=CCC1(C(=O)NCC(=O)[N-]OC)CCOCC1	ZINC000832745974	613456508	/nfs/dbraw/zinc/45/65/08/613456508.db2.gz	UTVQLUIAJSDMPS-UHFFFAOYSA-N	-1	0	256.302	0.153	20	30		CCEDRM
C=CCC1(C(=O)[O-])CN(S(=O)(=O)N2CCC[C@@H]2C)C1	ZINC000906007026	613456840	/nfs/dbraw/zinc/45/68/40/613456840.db2.gz	QSZSQPMUPOKYKE-JTQLQIEISA-N	-1	0	288.369	0.678	20	30		CCEDRM
C=CCC1(S(=O)(=O)[N-]C(=O)C2(C(=O)OC)CC2)CC1	ZINC000810984522	613460760	/nfs/dbraw/zinc/46/07/60/613460760.db2.gz	DQWGEWKMVXLETI-UHFFFAOYSA-N	-1	0	287.337	0.494	20	30		CCEDRM
C=CCC1(S(=O)(=O)[N-]C(=O)Cc2ccn(C)n2)CC1	ZINC000810980420	613460872	/nfs/dbraw/zinc/46/08/72/613460872.db2.gz	WZUDUUCUPPGTPC-UHFFFAOYSA-N	-1	0	283.353	0.517	20	30		CCEDRM
C=CCC1(S(=O)(=O)[N-]C(=O)c2cnn3c2CCC3)CC1	ZINC000835449283	613461255	/nfs/dbraw/zinc/46/12/55/613461255.db2.gz	NLMSKKYYZGCYRN-UHFFFAOYSA-N	-1	0	295.364	0.998	20	30		CCEDRM
C=CCC1(S(=O)(=O)[N-]C(=O)c2cncn2C)CC1	ZINC000835450314	613461398	/nfs/dbraw/zinc/46/13/98/613461398.db2.gz	ZNJCOBIUZLBOAH-UHFFFAOYSA-N	-1	0	269.326	0.588	20	30		CCEDRM
C=CCCC(=O)[N-]S(=O)(=O)C[C@@H](COC)OC	ZINC000853203352	613462466	/nfs/dbraw/zinc/46/24/66/613462466.db2.gz	FYLROBZNSWJZPL-SECBINFHSA-N	-1	0	265.331	0.060	20	30		CCEDRM
C=CCCC(=O)[N-]S(=O)(=O)[C@H]1COC(C)(C)C1	ZINC000861142449	613463115	/nfs/dbraw/zinc/46/31/15/613463115.db2.gz	ZFMLXJBGJIHTPH-SECBINFHSA-N	-1	0	261.343	0.966	20	30		CCEDRM
C=CCCCS(=O)(=O)N1CC[C@](F)(C(=O)[O-])C1	ZINC000829905130	613469274	/nfs/dbraw/zinc/46/92/74/613469274.db2.gz	OJPFYDHMNLIFQT-SNVBAGLBSA-N	-1	0	265.306	0.781	20	30		CCEDRM
C=CCCCS(=O)(=O)NC[C@H]1[C@@H](C(=O)[O-])C1(F)F	ZINC000903004565	613469349	/nfs/dbraw/zinc/46/93/49/613469349.db2.gz	FCNZCJOWBGNHFZ-YUMQZZPRSA-N	-1	0	283.296	0.838	20	30		CCEDRM
C=CCCC[C@@H](NS(=O)(=O)N(C)CC1CC1)C(=O)[O-]	ZINC000903058907	613471833	/nfs/dbraw/zinc/47/18/33/613471833.db2.gz	KPNUBWIYJJENAU-LLVKDONJSA-N	-1	0	290.385	0.972	20	30		CCEDRM
C=CCCC[C@H](NC(=O)CN1CSCC1=O)C(=O)[O-]	ZINC000910916069	613473126	/nfs/dbraw/zinc/47/31/26/613473126.db2.gz	STQFMXBPDGJIDE-VIFPVBQESA-N	-1	0	286.353	0.445	20	30		CCEDRM
C=CCCC[C@H](NC(=O)[C@](C)(O)COC)C(=O)[O-]	ZINC000910917653	613474510	/nfs/dbraw/zinc/47/45/10/613474510.db2.gz	SWCTWIHKBRBNAJ-JOYOIKCWSA-N	-1	0	259.302	0.310	20	30		CCEDRM
C=C[C@@](C)(CCOC)C(=O)NCCCc1c[nH][nH]c1=O	ZINC000912471059	613476984	/nfs/dbraw/zinc/47/69/84/613476984.db2.gz	MRSCPCAEZUPQJT-RISCZKNCSA-N	-1	0	281.356	0.843	20	30		CCEDRM
C=C[C@H](C)NC(=O)[C@@H](O)c1ccc(-c2nn[nH]n2)cc1	ZINC000823883658	613482962	/nfs/dbraw/zinc/48/29/62/613482962.db2.gz	WVPOSBNQUAJUMU-KWQFWETISA-N	-1	0	273.296	0.591	20	30		CCEDRM
C=C[C@H](C)O[N-]C(=O)C(C)(C)S(=O)(=O)C1CC1	ZINC000846552182	613483746	/nfs/dbraw/zinc/48/37/46/613483746.db2.gz	CBLDJOPRXRMCSL-QMMMGPOBSA-N	-1	0	261.343	0.965	20	30		CCEDRM
C=C[C@H](C)O[N-]C(=O)CS[C@@H]1CCS(=O)(=O)C1	ZINC000846544862	613484154	/nfs/dbraw/zinc/48/41/54/613484154.db2.gz	ZJDKBZQQPJJJDJ-DTWKUNHWSA-N	-1	0	279.383	0.529	20	30		CCEDRM
C=C[C@H](C)O[N-]C(=O)CN1C(=O)N[C@@](C)(C2CC2)C1=O	ZINC000846544281	613484219	/nfs/dbraw/zinc/48/42/19/613484219.db2.gz	VXWCDCCWTQPHNT-SDBXPKJASA-N	-1	0	281.312	0.329	20	30		CCEDRM
C=C[C@H](C)O[N-]C(=O)CN1CCCCS1(=O)=O	ZINC000880549385	613484237	/nfs/dbraw/zinc/48/42/37/613484237.db2.gz	WPOAILYOBASSEW-VIFPVBQESA-N	-1	0	262.331	0.034	20	30		CCEDRM
C=C[C@H](CC)CC(=O)NCCn1cc(C(=O)[O-])nn1	ZINC000907675092	613489595	/nfs/dbraw/zinc/48/95/95/613489595.db2.gz	IDRONUUGXMXEGX-SECBINFHSA-N	-1	0	266.301	0.695	20	30		CCEDRM
C=C[C@H](O)C(=O)NC[C@H](C(=O)[O-])C1CCCCC1	ZINC000910234496	613496038	/nfs/dbraw/zinc/49/60/38/613496038.db2.gz	SRCSUCJGPZOYNF-QWRGUYRKSA-N	-1	0	255.314	0.931	20	30		CCEDRM
C=C[C@](C)(CCOC)C(=O)N1CC[C@](O)(C(=O)[O-])C1	ZINC000910526476	613505654	/nfs/dbraw/zinc/50/56/54/613505654.db2.gz	GULTXSMHHUGJJY-CHWSQXEVSA-N	-1	0	271.313	0.263	20	30		CCEDRM
C=CCCOCC(=O)N[C@H](C(=O)[O-])c1cccnc1	ZINC000910981256	613572725	/nfs/dbraw/zinc/57/27/25/613572725.db2.gz	FRLRNHOFDATYIW-LBPRGKRZSA-N	-1	0	264.281	0.916	20	30		CCEDRM
C=CCCOCC(=O)[N-]S(=O)(=O)N1CCCCC1	ZINC000920793003	613572855	/nfs/dbraw/zinc/57/28/55/613572855.db2.gz	GKWNSRDQMVTGCC-UHFFFAOYSA-N	-1	0	276.358	0.426	20	30		CCEDRM
C=CCCO[N-]C(=O)C(=NOC)c1csc(N)n1	ZINC000824653115	613575969	/nfs/dbraw/zinc/57/59/69/613575969.db2.gz	UGNVJIQPQLUIGO-UHFFFAOYSA-N	-1	0	270.314	0.700	20	30		CCEDRM
C=CCCO[N-]C(=O)CNC(=O)c1ccc2c(c1)OCO2	ZINC000856028152	613576544	/nfs/dbraw/zinc/57/65/44/613576544.db2.gz	CLCFBDDSYFYGLL-UHFFFAOYSA-N	-1	0	292.291	0.769	20	30		CCEDRM
C=CCCO[N-]C(=O)CN1CCCCC(=O)C1=O	ZINC000869282210	613576605	/nfs/dbraw/zinc/57/66/05/613576605.db2.gz	BTPDVMHHWLFQSK-UHFFFAOYSA-N	-1	0	254.286	0.192	20	30		CCEDRM
C=CCCO[N-]C(=O)CNS(=O)(=O)c1ccccc1N	ZINC000856035859	613576662	/nfs/dbraw/zinc/57/66/62/613576662.db2.gz	LGBRZVARYZPNKN-UHFFFAOYSA-N	-1	0	299.352	0.171	20	30		CCEDRM
C=CCCO[N-]C(=O)CN1CCN(c2ccccn2)CC1	ZINC000856032714	613576788	/nfs/dbraw/zinc/57/67/88/613576788.db2.gz	UFIOVPCYTBLIST-UHFFFAOYSA-N	-1	0	290.367	0.828	20	30		CCEDRM
C=CCCO[N-]C(=O)CSCC(=O)N1CCOCC1	ZINC000856028443	613576831	/nfs/dbraw/zinc/57/68/31/613576831.db2.gz	IBJMUOCUOJYDNS-UHFFFAOYSA-N	-1	0	288.369	0.202	20	30		CCEDRM
C=CCCO[C@H](C)C(=O)N1CCO[C@](C)(C(=O)[O-])C1	ZINC000910321139	613578872	/nfs/dbraw/zinc/57/88/72/613578872.db2.gz	IZYHMYQLSIWCHY-MFKMUULPSA-N	-1	0	271.313	0.670	20	30		CCEDRM
C=CCCS(=O)(=O)N1CCO[C@@H]([C@@H](C)NC(=O)[O-])C1	ZINC000823500854	613580589	/nfs/dbraw/zinc/58/05/89/613580589.db2.gz	MLQSRBVGEVCBMV-NXEZZACHSA-N	-1	0	292.357	0.249	20	30		CCEDRM
C=CCC[C@@H](NC(=O)Cc1cnn(CC)c1)C(=O)[O-]	ZINC000909714942	613584963	/nfs/dbraw/zinc/58/49/63/613584963.db2.gz	IXBARWLBBHWMBO-LLVKDONJSA-N	-1	0	265.313	0.981	20	30		CCEDRM
C=CCC[C@@H](NC(=O)Cn1ccnc1C)C(=O)[O-]	ZINC000909718540	613585083	/nfs/dbraw/zinc/58/50/83/613585083.db2.gz	QAKYFTOBQQRBKZ-SNVBAGLBSA-N	-1	0	251.286	0.727	20	30		CCEDRM
C=CCC[C@@H](NC(=O)NCCO[C@@H]1CCOC1)C(=O)[O-]	ZINC000929017490	613585116	/nfs/dbraw/zinc/58/51/16/613585116.db2.gz	UZXDQBVHNCTMMB-GHMZBOCLSA-N	-1	0	286.328	0.511	20	30		CCEDRM
C=CCC[C@H](NC(=O)[C@H](OCC)[C@H]1CCOC1)C(=O)[O-]	ZINC000864142695	613589873	/nfs/dbraw/zinc/58/98/73/613589873.db2.gz	NQCOPXIZIMTOSN-SDDRHHMPSA-N	-1	0	285.340	0.964	20	30		CCEDRM
C=CCC[C@H](NC(=O)[C@H](C)C[NH+]1CCOCC1)C(=O)[O-]	ZINC000909718134	613589902	/nfs/dbraw/zinc/58/99/02/613589902.db2.gz	MSQYSLBFIDXIOY-NEPJUHHUSA-N	-1	0	284.356	0.490	20	30		CCEDRM
C=CCC[C@H](NC(=O)c1cnn(CC)n1)C(=O)[O-]	ZINC000909716836	613590637	/nfs/dbraw/zinc/59/06/37/613590637.db2.gz	VWOVNRIUIUADBU-QMMMGPOBSA-N	-1	0	252.274	0.447	20	30		CCEDRM
C=CCCn1cc(C(=O)N2C[C@@H](F)C[C@H]2C(=O)[O-])nn1	ZINC000910438563	613593974	/nfs/dbraw/zinc/59/39/74/613593974.db2.gz	UFGYAXJESIAZIH-WPRPVWTQSA-N	-1	0	282.275	0.491	20	30		CCEDRM
C=CCCn1cc(C(=O)[N-]S(=O)(=O)CC(C)C)nn1	ZINC000819969459	613594880	/nfs/dbraw/zinc/59/48/80/613594880.db2.gz	XQXQASHFYFGVDC-UHFFFAOYSA-N	-1	0	286.357	0.570	20	30		CCEDRM
C=CCCn1cc(C(=O)N[C@H]2CC=C(C(=O)[O-])C2)nn1	ZINC000864166156	613595634	/nfs/dbraw/zinc/59/56/34/613595634.db2.gz	LFVBWBFHARZYTQ-JTQLQIEISA-N	-1	0	276.296	0.757	20	30		CCEDRM
C=CCN(C(=O)C(=O)N1CC[C@@H](C(=O)[O-])C1)C(C)C	ZINC000817894294	613602114	/nfs/dbraw/zinc/60/21/14/613602114.db2.gz	LIPYMUZEFKHYMZ-SNVBAGLBSA-N	-1	0	268.313	0.343	20	30		CCEDRM
C=CCN(C)C(=O)C(=O)N1CCC[C@](CC)(C(=O)[O-])C1	ZINC000926299112	613607871	/nfs/dbraw/zinc/60/78/71/613607871.db2.gz	PLJRTEKFKVMQDV-AWEZNQCLSA-N	-1	0	282.340	0.734	20	30		CCEDRM
C=CCN(CC(=O)[O-])C(=O)Cc1ncccc1OC	ZINC000909515619	613642500	/nfs/dbraw/zinc/64/25/00/613642500.db2.gz	DUZCHRWHWQULIQ-UHFFFAOYSA-N	-1	0	264.281	0.732	20	30		CCEDRM
C=CCN(CC(=O)[O-])C(=O)[C@@H](O)Cc1ccccc1	ZINC000909514399	613643270	/nfs/dbraw/zinc/64/32/70/613643270.db2.gz	GLQMZWOAEWJEGE-LBPRGKRZSA-N	-1	0	263.293	0.689	20	30		CCEDRM
C=CCN(CC(=O)[O-])C(=O)c1coc(OCC)n1	ZINC000909514074	613643615	/nfs/dbraw/zinc/64/36/15/613643615.db2.gz	BCHAKUSVCWKXDH-UHFFFAOYSA-N	-1	0	254.242	0.786	20	30		CCEDRM
C=CCN(CC(=O)[O-])C(=O)[C@H]1CCc2nc[nH]c2C1	ZINC000909516918	613643710	/nfs/dbraw/zinc/64/37/10/613643710.db2.gz	TWNLFVPLRVDDSS-VIFPVBQESA-N	-1	0	263.297	0.614	20	30		CCEDRM
C=CCN(CC(=O)[O-])C(=O)c1cn(CC2CC2)nn1	ZINC000909515207	613643812	/nfs/dbraw/zinc/64/38/12/613643812.db2.gz	RKADAOBTQKOKMB-UHFFFAOYSA-N	-1	0	264.285	0.401	20	30		CCEDRM
C=CCN(CC(=O)[O-])C(=O)c1cnn(C(F)F)c1	ZINC000864134920	613643817	/nfs/dbraw/zinc/64/38/17/613643817.db2.gz	FOQLRHQBYPJQAH-UHFFFAOYSA-N	-1	0	259.212	0.991	20	30		CCEDRM
CC#CCS(=O)(=O)[N-]C(=O)CCOCC(F)F	ZINC000810774291	613645895	/nfs/dbraw/zinc/64/58/95/613645895.db2.gz	WPHMSOICBYPXDU-UHFFFAOYSA-N	-1	0	269.269	0.128	20	30		CCEDRM
CC#CCS(=O)(=O)[N-]C(=O)CCn1nc(C)cc1C	ZINC000810773563	613645898	/nfs/dbraw/zinc/64/58/98/613645898.db2.gz	BKKHJYYDORFIKV-UHFFFAOYSA-N	-1	0	283.353	0.359	20	30		CCEDRM
CC#CCS(=O)(=O)[N-]C(=O)Cc1cn2c(n1)CCCC2	ZINC000845543673	613646148	/nfs/dbraw/zinc/64/61/48/613646148.db2.gz	DNLSKIIFYJLIGA-UHFFFAOYSA-N	-1	0	295.364	0.231	20	30		CCEDRM
CC#CCS(=O)(=O)[N-]C(=O)[C@H]1COc2ccccc21	ZINC000810777451	613647199	/nfs/dbraw/zinc/64/71/99/613647199.db2.gz	CPPGRXXSPFKJQS-NSHDSACASA-N	-1	0	279.317	0.632	20	30		CCEDRM
CC#CCS(=O)(=O)[N-]C(=O)[C@]12C[C@H]1COC2(C)C	ZINC000850999248	613647494	/nfs/dbraw/zinc/64/74/94/613647494.db2.gz	BMKJSDFJBPRMRT-CABZTGNLSA-N	-1	0	271.338	0.271	20	30		CCEDRM
CC#CCS(=O)(=O)[N-]C(=O)c1ccc2c(c1)ncn2C	ZINC000810771790	613647813	/nfs/dbraw/zinc/64/78/13/613647813.db2.gz	PRYUPJQTSFQOSR-UHFFFAOYSA-N	-1	0	291.332	0.656	20	30		CCEDRM
CC(=NOCC(F)(F)F)c1cn(CC(=O)[O-])nn1	ZINC000825809250	613657783	/nfs/dbraw/zinc/65/77/83/613657783.db2.gz	PGWSIZAVPVZMLM-UHFFFAOYSA-N	-1	0	266.179	0.666	20	30		CCEDRM
C=CCN1CC[C@@H](OC(=O)c2cc(=O)[n-]c(OC)n2)C1=O	ZINC000798652327	613765276	/nfs/dbraw/zinc/76/52/76/613765276.db2.gz	BECCVPHHQSXLCD-SECBINFHSA-N	-1	0	293.279	0.135	20	30		CCEDRM
C=CCNC(=O)CN(C)[C@@H](COC(C)C)C(=O)[O-]	ZINC000825687546	613844991	/nfs/dbraw/zinc/84/49/91/613844991.db2.gz	PTPNBSDEHJIPMH-JTQLQIEISA-N	-1	0	258.318	0.099	20	30		CCEDRM
C=CCNC(=O)C(C#N)=C([O-])c1ccc2c(c1)OCC(=O)N2	ZINC000916918517	613854924	/nfs/dbraw/zinc/85/49/24/613854924.db2.gz	TXLHSKNRAGFHFI-SNVBAGLBSA-N	-1	0	299.286	0.642	20	30		CCEDRM
C=CCNC(=O)C(C#N)=C([O-])c1ncc2n1CCCC2	ZINC000870140433	613855049	/nfs/dbraw/zinc/85/50/49/613855049.db2.gz	HVZCFLQMZBUJPM-LLVKDONJSA-N	-1	0	272.308	0.844	20	30		CCEDRM
C=CCNc1ncc(C(=O)NCCNC(=O)[O-])s1	ZINC000823510732	613876841	/nfs/dbraw/zinc/87/68/41/613876841.db2.gz	IBDMILWGAOJUFI-UHFFFAOYSA-N	-1	0	270.314	0.738	20	30		CCEDRM
C=CCOCC(=O)N1CCC(n2cc(C(=O)[O-])cn2)CC1	ZINC000909827548	613879100	/nfs/dbraw/zinc/87/91/00/613879100.db2.gz	HUJNCDNSTKWIRC-UHFFFAOYSA-N	-1	0	293.323	0.947	20	30		CCEDRM
C=CCOCCCC(=O)N[C@H](CSC)C(=O)[O-]	ZINC000910878887	613879856	/nfs/dbraw/zinc/87/98/56/613879856.db2.gz	JUFOBQQYJNZICC-SECBINFHSA-N	-1	0	261.343	0.902	20	30		CCEDRM
C=CCOCCNC(=O)N[C@H](C[C@@H]1CCCO1)C(=O)[O-]	ZINC000905539640	613880993	/nfs/dbraw/zinc/88/09/93/613880993.db2.gz	SPNLOQPEBDRDLH-WDEREUQCSA-N	-1	0	286.328	0.511	20	30		CCEDRM
C=CCOC[C@@H](NC(=O)[C@]12C[C@H]1CCC2)C(=O)[O-]	ZINC000923078673	613881741	/nfs/dbraw/zinc/88/17/41/613881741.db2.gz	JWBUUHCWACUKAX-GIPNMCIBSA-N	-1	0	253.298	0.949	20	30		CCEDRM
C=CCOC[C@H](NC(=O)NCCC#CC)C(=O)[O-]	ZINC000909030293	613882348	/nfs/dbraw/zinc/88/23/48/613882348.db2.gz	GHVUAYHXUVGSET-JTQLQIEISA-N	-1	0	254.286	0.355	20	30		CCEDRM
C=CCOC[C@H](NC(=O)C[C@@](C)(O)C1CC1)C(=O)[O-]	ZINC000909769492	613882353	/nfs/dbraw/zinc/88/23/53/613882353.db2.gz	CSCTUZLPDDLBHB-GXFFZTMASA-N	-1	0	271.313	0.310	20	30		CCEDRM
C=CCOC[C@H](NC(=O)NC/C=C\Cl)C(=O)[O-]	ZINC000900313886	613882382	/nfs/dbraw/zinc/88/23/82/613882382.db2.gz	RKFWSJDYAOEQAI-VEMNSZJBSA-N	-1	0	262.693	0.694	20	30		CCEDRM
C=CCOC[C@H](NC(=O)[C@@H](CC)SC)C(=O)[O-]	ZINC000909765183	613882503	/nfs/dbraw/zinc/88/25/03/613882503.db2.gz	ACXOWLLNOXIPLF-DTWKUNHWSA-N	-1	0	261.343	0.900	20	30		CCEDRM
C=CCOC[C@H](NC(=O)c1cccnc1N(C)C)C(=O)[O-]	ZINC000909769519	613882717	/nfs/dbraw/zinc/88/27/17/613882717.db2.gz	CWIYRCAWDYNQHJ-NSHDSACASA-N	-1	0	293.323	0.533	20	30		CCEDRM
C=CCOC[C@H](NC(=O)c1cnn(CC)c1C)C(=O)[O-]	ZINC000909766354	613882768	/nfs/dbraw/zinc/88/27/68/613882768.db2.gz	HKKJHGYFGAOIOU-NSHDSACASA-N	-1	0	281.312	0.597	20	30		CCEDRM
C=CCO[N-]C(=O)C(=O)Nc1cc2c([nH]c1=O)CCCC2	ZINC000845987779	613882984	/nfs/dbraw/zinc/88/29/84/613882984.db2.gz	MTDRJBWUNYEZAS-UHFFFAOYSA-N	-1	0	291.307	0.838	20	30		CCEDRM
C=CCO[N-]C(=O)[C@H]1CCCN1C(=O)C(F)(F)F	ZINC000837048399	613884606	/nfs/dbraw/zinc/88/46/06/613884606.db2.gz	OXRPYXGTFHMZMD-SSDOTTSWSA-N	-1	0	266.219	0.774	20	30		CCEDRM
C=CCOc1ccccc1CNC(=O)COCC(=O)[O-]	ZINC000844249430	613884835	/nfs/dbraw/zinc/88/48/35/613884835.db2.gz	PYLFPTDXFWXINW-UHFFFAOYSA-N	-1	0	279.292	0.969	20	30		CCEDRM
C=CCS(=O)(=O)[N-]C(=O)Cc1cn(C)nc1Cl	ZINC000815997690	613886080	/nfs/dbraw/zinc/88/60/80/613886080.db2.gz	UKGHNXVNSKOWCL-UHFFFAOYSA-N	-1	0	277.733	0.248	20	30		CCEDRM
C=CCS(=O)(=O)[N-]C(=O)[C@@H](C)Oc1ccccn1	ZINC000835253458	613886184	/nfs/dbraw/zinc/88/61/84/613886184.db2.gz	LXVNAGVDIYKPKA-SECBINFHSA-N	-1	0	270.310	0.481	20	30		CCEDRM
C=CCS(=O)(=O)[N-]C(=O)[C@H]1Cc2cccc(C)c2O1	ZINC000835253465	613886201	/nfs/dbraw/zinc/88/62/01/613886201.db2.gz	MAXUUZLZFABDPT-LLVKDONJSA-N	-1	0	281.333	0.931	20	30		CCEDRM
C=CCS(=O)(=O)[N-]C(=O)c1cc(C(C)C)n[nH]1	ZINC000132798753	613886322	/nfs/dbraw/zinc/88/63/22/613886322.db2.gz	DKCZYHHZTDFKRS-UHFFFAOYSA-N	-1	0	257.315	0.779	20	30		CCEDRM
C=CCS(=O)(=O)[N-]C(=O)c1cn(CC)nc1C	ZINC000860631401	613886324	/nfs/dbraw/zinc/88/63/24/613886324.db2.gz	SVENRYOOLVQGDV-UHFFFAOYSA-N	-1	0	257.315	0.457	20	30		CCEDRM
CC(C)NC(=O)C(C#N)=C([O-])c1cc([N+](=O)[O-])cn1C	ZINC000916947296	613934052	/nfs/dbraw/zinc/93/40/52/613934052.db2.gz	ZYIVLIQNYJDRLY-SECBINFHSA-N	-1	0	278.268	0.780	20	30		CCEDRM
CC(C)NC(=O)C(C#N)=C([O-])c1cnc2n1CCC2	ZINC000850761907	613934283	/nfs/dbraw/zinc/93/42/83/613934283.db2.gz	SSHHMBHWFDDXQS-SECBINFHSA-N	-1	0	260.297	0.676	20	30		CCEDRM
CC(=O)N[C@@H]1CCCN(C(=O)[C@](C)(C#N)CC(=O)[O-])C1	ZINC000819737584	613982661	/nfs/dbraw/zinc/98/26/61/613982661.db2.gz	XRPFETGNRWLICV-MFKMUULPSA-N	-1	0	281.312	0.118	20	30		CCEDRM
CC(C)CCNC(=S)NN=Cc1cc(C(=O)[O-])nn1C	ZINC000901154034	614053973	/nfs/dbraw/zinc/05/39/73/614053973.db2.gz	IUTSOKJCKHYIFG-UHFFFAOYSA-N	-1	0	297.384	0.962	20	30		CCEDRM
CC(C)[C@@](C)(C#N)NC(=O)CN(C)[C@H]1CCN(C(=O)[O-])C1	ZINC000824057131	614180115	/nfs/dbraw/zinc/18/01/15/614180115.db2.gz	OWYZOXSGWXPMRV-SMDDNHRTSA-N	-1	0	296.371	0.725	20	30		CCEDRM
CC(=O)Nc1ccc(O)c(C(C)=NNCC(=O)[O-])c1	ZINC000814960859	614202596	/nfs/dbraw/zinc/20/25/96/614202596.db2.gz	WYOIRKLQPVTWIZ-UHFFFAOYSA-N	-1	0	265.269	0.749	20	30		CCEDRM
CC(=O)Nc1nc(CN(CC#N)CC(=O)[O-])cs1	ZINC000825923436	614209734	/nfs/dbraw/zinc/20/97/34/614209734.db2.gz	ZZHSMOIPSIZNQF-UHFFFAOYSA-N	-1	0	268.298	0.512	20	30		CCEDRM
CC(C)[C@H](NC(=O)C#Cc1ccc2c(c1)OCO2)C(=O)[O-]	ZINC000817951530	614228992	/nfs/dbraw/zinc/22/89/92/614228992.db2.gz	UCIMGDDSMFSUNP-AWEZNQCLSA-N	-1	0	289.287	0.992	20	30		CCEDRM
CC(C)(C#N)C(=O)NCC1(CC(=O)[O-])CCOCC1	ZINC000923099913	614284837	/nfs/dbraw/zinc/28/48/37/614284837.db2.gz	AUYQHHKWNWMEOP-UHFFFAOYSA-N	-1	0	268.313	0.924	20	30		CCEDRM
CC(C)[C@](C)(C#N)NC(=O)COC(=O)[C@H](C)CC(=O)[O-]	ZINC000827335237	614286437	/nfs/dbraw/zinc/28/64/37/614286437.db2.gz	YTAKIXSKCIBFAT-RNCFNFMXSA-N	-1	0	284.312	0.695	20	30		CCEDRM
CCCn1cc(C(=O)[N-]S(=O)(=O)CC2(C#N)CC2)cn1	ZINC000793201791	614519229	/nfs/dbraw/zinc/51/92/29/614519229.db2.gz	RKSDLHRPWRMBGF-UHFFFAOYSA-N	-1	0	296.352	0.656	20	30		CCEDRM
CCC1(C(=O)[N-]S(=O)(=O)CC2(C#N)CC2)CC1	ZINC000793205095	614662177	/nfs/dbraw/zinc/66/21/77/614662177.db2.gz	WITBFSZOUYMWFV-UHFFFAOYSA-N	-1	0	256.327	0.926	20	30		CCEDRM
CCCCCNC(=O)C(C#N)=C([O-])c1cnn(CC)n1	ZINC000815905129	614923100	/nfs/dbraw/zinc/92/31/00/614923100.db2.gz	ADRJWNYYBFOMPP-JTQLQIEISA-N	-1	0	277.328	0.927	20	30		CCEDRM
CCN(CC#N)C(=O)C[C@@H]1CN(C(=O)[O-])CCO1	ZINC000826992841	614923087	/nfs/dbraw/zinc/92/30/87/614923087.db2.gz	VOCXZGUGHHZJRA-SECBINFHSA-N	-1	0	255.274	0.127	20	30		CCEDRM
CCCO[N-]C(=O)CNC(=O)c1ccc(C#N)cc1	ZINC000844088336	614944155	/nfs/dbraw/zinc/94/41/55/614944155.db2.gz	SNMNEBYTTCIJAT-UHFFFAOYSA-N	-1	0	261.281	0.746	20	30		CCEDRM
CC1=CC(=O)C(=C([O-])C=Cc2ccnn2C)C(=O)O1	ZINC000913615206	614968423	/nfs/dbraw/zinc/96/84/23/614968423.db2.gz	DUKKZKWHJMTEES-MVZIDQBPSA-N	-1	0	260.249	0.648	20	30		CCEDRM
CCC[C@@H](NC(=O)[O-])C(=O)NCC1CCN(CC#N)CC1	ZINC000826752456	614991356	/nfs/dbraw/zinc/99/13/56/614991356.db2.gz	VGJQTPBORBVDFQ-GFCCVEGCSA-N	-1	0	296.371	0.774	20	30		CCEDRM
CCC[C@@H](NC(=O)[O-])C(=O)N[C@](C)(C#N)COC	ZINC000826751142	614991722	/nfs/dbraw/zinc/99/17/22/614991722.db2.gz	MPBWVFRFVMAYLK-LDYMZIIASA-N	-1	0	257.290	0.468	20	30		CCEDRM
CC1CC(C#N)(C(=O)NCCN2CCN(C(=O)[O-])CC2)C1	ZINC000825783413	615011028	/nfs/dbraw/zinc/01/10/28/615011028.db2.gz	HKGJOQRPQOJUEQ-UHFFFAOYSA-N	-1	0	294.355	0.338	20	30		CCEDRM
CCN(CCC#N)C(=O)C[NH2+][C@@](C)(C(=O)[O-])C1CC1	ZINC000829692166	615022395	/nfs/dbraw/zinc/02/23/95/615022395.db2.gz	BJHBLFINRPTDCK-CYBMUJFWSA-N	-1	0	267.329	0.591	20	30		CCEDRM
CCC[C@H](C#N)NC(=O)CO[C@H]1CCCN(C(=O)[O-])C1	ZINC000826705610	615033388	/nfs/dbraw/zinc/03/33/88/615033388.db2.gz	DYNGTZPRFYCFGH-MNOVXSKESA-N	-1	0	283.328	0.954	20	30		CCEDRM
CCN([C@H](C)C(=O)[O-])S(=O)(=O)CC1(C#N)CC1	ZINC000899564497	615077693	/nfs/dbraw/zinc/07/76/93/615077693.db2.gz	JCCPXCYICLOELU-MRVPVSSYSA-N	-1	0	260.315	0.415	20	30		CCEDRM
CCOCCO[C@H]1CCN(C(=O)[C@](C)(C#N)CC(=O)[O-])C1	ZINC000820382693	615295205	/nfs/dbraw/zinc/29/52/05/615295205.db2.gz	DVIVRVAXHCLZOX-FZMZJTMJSA-N	-1	0	298.339	0.645	20	30		CCEDRM
CCO[N-]C(=O)CNC(=O)c1cc(F)c(C#N)c(F)c1	ZINC000855024633	615371097	/nfs/dbraw/zinc/37/10/97/615371097.db2.gz	QEQRBXFATTVWIC-UHFFFAOYSA-N	-1	0	283.234	0.634	20	30		CCEDRM
CCc1c(C([O-])=C(C#N)C(=O)NCCOC)ccn1C	ZINC000810530087	615607925	/nfs/dbraw/zinc/60/79/25/615607925.db2.gz	VFKHAFGOEKQHEQ-NSHDSACASA-N	-1	0	277.324	0.673	20	30		CCEDRM
CCn1nc(C)c(C([O-])=C(C#N)C(=O)NCCCOC)n1	ZINC000815904799	615650556	/nfs/dbraw/zinc/65/05/56/615650556.db2.gz	PZSAYIQDOMMEHK-JTQLQIEISA-N	-1	0	293.327	0.082	20	30		CCEDRM
CCn1nc(C)c(C([O-])=C(C#N)C(=O)NC(C)C)n1	ZINC000815910309	615650808	/nfs/dbraw/zinc/65/08/08/615650808.db2.gz	UPKVVFSEEODYKP-VIFPVBQESA-N	-1	0	263.301	0.454	20	30		CCEDRM
CC[C@H](C)NC(=O)[C@@H](C)NC(=O)[C@](C)(C#N)CC(=O)[O-]	ZINC000820266605	615677052	/nfs/dbraw/zinc/67/70/52/615677052.db2.gz	NFGXIQJJOZOKMU-RWEMILLDSA-N	-1	0	283.328	0.410	20	30		CCEDRM
CC[C@H](NC(=O)[O-])C(=O)OCC(=O)N[C@@](C)(C#N)C1CC1	ZINC000827538697	615805768	/nfs/dbraw/zinc/80/57/68/615805768.db2.gz	HNSVBQGDELTQDX-ZANVPECISA-N	-1	0	297.311	0.384	20	30		CCEDRM
CN(C(=O)CN(CC#N)CC(=O)[O-])C1CCCCC1	ZINC000830478799	615813831	/nfs/dbraw/zinc/81/38/31/615813831.db2.gz	WSCGRZXJDJFCIO-UHFFFAOYSA-N	-1	0	267.329	0.688	20	30		CCEDRM
CC[C@H](O)CNN=Cc1ccc(OCC(=O)[O-])cc1	ZINC000811655963	615830043	/nfs/dbraw/zinc/83/00/43/615830043.db2.gz	YVTSMPSBDIASMB-NSHDSACASA-N	-1	0	266.297	0.844	20	30		CCEDRM
CCn1cc(C(=O)N2CCN(C(=O)[O-])C[C@@H]2C#N)cn1	ZINC000827699695	615937358	/nfs/dbraw/zinc/93/73/58/615937358.db2.gz	ADARTCHGEHMOHS-JTQLQIEISA-N	-1	0	277.284	0.231	20	30		CCEDRM
CC[S@@](C)(=O)=NS(=O)(=O)[N-]C[C@@H](C)C#N	ZINC000866895720	616011191	/nfs/dbraw/zinc/01/11/91/616011191.db2.gz	YHGJLFBTUKKXJO-JKYUHCHBSA-N	-1	0	253.349	0.098	20	30		CCEDRM
CCn1ccc(C([O-])=C(C#N)C(=O)N2CCCC2)n1	ZINC000842680837	616025028	/nfs/dbraw/zinc/02/50/28/616025028.db2.gz	BGICYHQVUNZFII-JTQLQIEISA-N	-1	0	260.297	0.848	20	30		CCEDRM
CN(CC(=O)[O-])C(=O)c1c(F)cc(C#N)cc1F	ZINC000818402648	616049801	/nfs/dbraw/zinc/04/98/01/616049801.db2.gz	QVYAHDPXFFHDLX-UHFFFAOYSA-N	-1	0	254.192	0.993	20	30		CCEDRM
CN(CCC#N)C(=O)[C@H](O)c1ccc(-c2nn[nH]n2)cc1	ZINC000825914390	616067599	/nfs/dbraw/zinc/06/75/99/616067599.db2.gz	CLBSSNAXSKNFJF-LLVKDONJSA-N	-1	0	286.295	0.272	20	30		CCEDRM
CN(Cc1cnn(C)c1)C(=O)[C@@](C)(C#N)CC(=O)[O-]	ZINC000820607500	616096307	/nfs/dbraw/zinc/09/63/07/616096307.db2.gz	INYZKNGKBFAXTR-GFCCVEGCSA-N	-1	0	264.285	0.383	20	30		CCEDRM
CN(Cc1nc[nH]n1)[C@H](C(=O)[O-])c1cccc(C#N)c1	ZINC000830883531	616104438	/nfs/dbraw/zinc/10/44/38/616104438.db2.gz	PZKIQDWTVBKBOQ-LBPRGKRZSA-N	-1	0	271.280	0.934	20	30		CCEDRM
CN(Cc1n[n-]c(=O)o1)C[C@H](O)c1ccc(C#N)cc1	ZINC000852189133	616109403	/nfs/dbraw/zinc/10/94/03/616109403.db2.gz	XBSSRVNNEFWRMS-NSHDSACASA-N	-1	0	274.280	0.812	20	30		CCEDRM
CN1CCC[C@@H](N[C@H](C(=O)[O-])c2cccc(C#N)c2)C1=O	ZINC000830934303	616190949	/nfs/dbraw/zinc/19/09/49/616190949.db2.gz	DZJQVWOEYHUCKQ-OLZOCXBDSA-N	-1	0	287.319	0.894	20	30		CCEDRM
CN1CCN(CC(=O)[N-]Oc2cccc(C#N)c2)CC1	ZINC000870692614	616239828	/nfs/dbraw/zinc/23/98/28/616239828.db2.gz	ICBHFLSZPWLLLU-UHFFFAOYSA-N	-1	0	274.324	0.216	20	30		CCEDRM
CN1CC[C@@H](N[C@@H](C(=O)[O-])c2cccc(C#N)c2)C1=O	ZINC000830927921	616280394	/nfs/dbraw/zinc/28/03/94/616280394.db2.gz	FCZRZYDSPWBBCR-VXGBXAGGSA-N	-1	0	273.292	0.504	20	30		CCEDRM
COCCN1CCN(C(=O)[C@@](C)(C#N)CC(=O)[O-])C[C@H]1C	ZINC000820730698	616364979	/nfs/dbraw/zinc/36/49/79/616364979.db2.gz	YIDJICWNDFGWBS-BXUZGUMPSA-N	-1	0	297.355	0.170	20	30		CCEDRM
COC1(C(=O)[N-]S(=O)(=O)c2ccc(C#N)cc2)CC1	ZINC000842676445	616425674	/nfs/dbraw/zinc/42/56/74/616425674.db2.gz	ZRQAGGOVBKYLRR-UHFFFAOYSA-N	-1	0	280.305	0.542	20	30		CCEDRM
COCCNC(=O)C(C#N)=C([O-])c1cc([N+](=O)[O-])cn1C	ZINC000916889568	616491669	/nfs/dbraw/zinc/49/16/69/616491669.db2.gz	AHEGIHSITPFOAS-VIFPVBQESA-N	-1	0	294.267	0.018	20	30		CCEDRM
COCCNC(=O)C(C#N)=C([O-])c1ccnn1CC(C)C	ZINC000842684117	616496620	/nfs/dbraw/zinc/49/66/20/616496620.db2.gz	IDXBFCKSPKMWQZ-LLVKDONJSA-N	-1	0	292.339	0.624	20	30		CCEDRM
COCCS(=O)(=O)[N-][C@@H](CC#N)C(F)(F)F	ZINC000901773099	616611779	/nfs/dbraw/zinc/61/17/79/616611779.db2.gz	NLLRGEDDUDDCJS-LURJTMIESA-N	-1	0	260.237	0.397	20	30		CCEDRM
COC[C@H](C)[C@@H](C)C(=O)[N-]S(=O)(=O)CCCC#N	ZINC000813080241	616635031	/nfs/dbraw/zinc/63/50/31/616635031.db2.gz	DKAVROCXAONRHS-VHSXEESVSA-N	-1	0	276.358	0.655	20	30		CCEDRM
COC(=O)[C@H]1CCN(C(=O)[C@@](C)(C#N)CC(=O)[O-])C1	ZINC000820660376	616662305	/nfs/dbraw/zinc/66/23/05/616662305.db2.gz	DEBDTSKFPLXIDL-QPUJVOFHSA-N	-1	0	268.269	0.012	20	30		CCEDRM
COCC(C)(C)C(=O)[N-]S(=O)(=O)c1cncc(C#N)c1	ZINC000813982276	616707796	/nfs/dbraw/zinc/70/77/96/616707796.db2.gz	GRCHUXUPUJAZGH-UHFFFAOYSA-N	-1	0	297.336	0.431	20	30		CCEDRM
COCCn1c(=O)cc([O-])nc1S[C@@H](C)C#N	ZINC000901656309	616714555	/nfs/dbraw/zinc/71/45/55/616714555.db2.gz	YGMSNQXSNMMWOG-ZETCQYMHSA-N	-1	0	255.299	0.599	20	30		CCEDRM
CNC(=O)C(C#N)=C([O-])c1ccc(-n2cnnn2)c(C)c1	ZINC000917002514	616777030	/nfs/dbraw/zinc/77/70/30/616777030.db2.gz	PYBQAPNOGMYXPW-JTQLQIEISA-N	-1	0	284.279	0.039	20	30		CCEDRM
CNC(=O)C(C#N)=C([O-])c1nscc1Br	ZINC000845444707	616777697	/nfs/dbraw/zinc/77/76/97/616777697.db2.gz	DQOIKKFVEGFTIC-BYPYZUCNSA-N	-1	0	288.126	0.974	20	30		CCEDRM
CNC(=O)C(C#N)=C([O-])c1ccnc(O[C@@H]2CCOC2)c1	ZINC000755613237	616778054	/nfs/dbraw/zinc/77/80/54/616778054.db2.gz	OPSKNYDETVBXCV-MNOVXSKESA-N	-1	0	289.291	0.318	20	30		CCEDRM
COC[C@](C)(C#N)NC(=O)[C@@H]1CCN(C(=O)[O-])C1	ZINC000828885687	616817400	/nfs/dbraw/zinc/81/74/00/616817400.db2.gz	LPJXGRFEFJBQMG-KCJUWKMLSA-N	-1	0	255.274	0.031	20	30		CCEDRM
COC[C@](C)(CC(=O)[O-])NS(=O)(=O)CCCC#N	ZINC000831584740	616821057	/nfs/dbraw/zinc/82/10/57/616821057.db2.gz	GWUPQXFFVVDUDD-JTQLQIEISA-N	-1	0	278.330	0.089	20	30		CCEDRM
CNC(=O)C(C#N)=C([O-])c1ccc(-n2ccnn2)cc1	ZINC000127897360	616839306	/nfs/dbraw/zinc/83/93/06/616839306.db2.gz	GQLATTNQZQHEOI-LLVKDONJSA-N	-1	0	269.264	0.336	20	30		CCEDRM
CNC(=O)C(C#N)=C([O-])c1ccc(C)c(S(C)(=O)=O)c1	ZINC000917002792	616839420	/nfs/dbraw/zinc/83/94/20/616839420.db2.gz	SWGCZFQKLPYLPN-SNVBAGLBSA-N	-1	0	294.332	0.467	20	30		CCEDRM
COC(=O)c1ccc(C=NNCC(=O)[O-])cc1C	ZINC000901248219	616890332	/nfs/dbraw/zinc/89/03/32/616890332.db2.gz	UIXYAUQWELLKNF-UHFFFAOYSA-N	-1	0	250.254	0.790	20	30		CCEDRM
CO[C@@](C)(C(=O)[N-]S(=O)(=O)CCCC#N)C1CC1	ZINC000813081127	616898673	/nfs/dbraw/zinc/89/86/73/616898673.db2.gz	LLSVGGDGTXPBKX-LLVKDONJSA-N	-1	0	274.342	0.551	20	30		CCEDRM
COCCCNC(=O)C(C#N)=C([O-])c1cc(C#N)oc1C	ZINC000797940998	616902229	/nfs/dbraw/zinc/90/22/29/616902229.db2.gz	MIBDZLLXAVKKLM-GFCCVEGCSA-N	-1	0	289.291	0.935	20	30		CCEDRM
CNC(=S)N(C)N=Cc1ccc(OCC(=O)[O-])cc1	ZINC000841648432	616928281	/nfs/dbraw/zinc/92/82/81/616928281.db2.gz	JBTDYZSCBREINP-UHFFFAOYSA-N	-1	0	281.337	0.920	20	30		CCEDRM
COCCN(CC(=O)[O-])C(=O)c1ccc(C#N)[nH]1	ZINC000820718681	616982771	/nfs/dbraw/zinc/98/27/71/616982771.db2.gz	AACHBYMAOGONHS-UHFFFAOYSA-N	-1	0	251.242	0.060	20	30		CCEDRM
COCCN(CCC#N)C(=O)C[C@H](C)NC(=O)[O-]	ZINC000828980156	616992204	/nfs/dbraw/zinc/99/22/04/616992204.db2.gz	VMHIJGOIDYPRFX-VIFPVBQESA-N	-1	0	257.290	0.421	20	30		CCEDRM
COC[C@H](/N=C/c1cc([N+](=O)[O-])ccc1[O-])C(N)=O	ZINC000132971160	617045901	/nfs/dbraw/zinc/04/59/01/617045901.db2.gz	LTQSTOHFHGUNNE-DHIBQTOVSA-N	-1	0	267.241	0.220	20	30		CCEDRM
CO[C@H](CNC(=O)[C@@](C)(C#N)CC(=O)[O-])C(F)(F)F	ZINC000820696638	617088088	/nfs/dbraw/zinc/08/80/88/617088088.db2.gz	HXAPLHRHMDDJTH-HZGVNTEJSA-N	-1	0	282.218	0.684	20	30		CCEDRM
CON=Cc1ccc(C(=O)NCCOCC(=O)[O-])cc1	ZINC000902294683	617106739	/nfs/dbraw/zinc/10/67/39/617106739.db2.gz	IZDXNHSWFASSMQ-UHFFFAOYSA-N	-1	0	280.280	0.498	20	30		CCEDRM
CO[C@@H]1CCCC[C@@H]1C(=O)[N-]S(=O)(=O)CCCC#N	ZINC000816005507	617171536	/nfs/dbraw/zinc/17/15/36/617171536.db2.gz	OPBSMUOMVHMVKN-WDEREUQCSA-N	-1	0	288.369	0.941	20	30		CCEDRM
Cc1ncccc1C(=O)[N-]S(=O)(=O)CCCC#N	ZINC000181268541	625370389	/nfs/dbraw/zinc/37/03/89/625370389.db2.gz	FVMNATGGSJQAEQ-UHFFFAOYSA-N	-1	0	267.310	0.753	20	30		CCEDRM
C[C@@H](O)CN(C)N=Cc1cccc(OCC(=O)[O-])c1	ZINC000841654315	625480313	/nfs/dbraw/zinc/48/03/13/625480313.db2.gz	SIQYOMLAVRTHPG-SNVBAGLBSA-N	-1	0	266.297	0.797	20	30		CCEDRM
COC[C@@H](NC(=O)[C@@H](C)Oc1ccccc1C#N)C(=O)[O-]	ZINC000158318987	622713253	/nfs/dbraw/zinc/71/32/53/622713253.db2.gz	FZYGCLMNJOFCMM-MWLCHTKSSA-N	-1	0	292.291	0.541	20	30		CCEDRM
C=CCCNS(=O)(=O)c1cc(C(=O)[O-])n(C)c1	ZINC000161663141	622892925	/nfs/dbraw/zinc/89/29/25/622892925.db2.gz	LOGNBHADFMWHER-UHFFFAOYSA-N	-1	0	258.299	0.578	20	30		CCEDRM
C=C(Br)CNC(=O)N[C@@H](COC)C(=O)[O-]	ZINC000168363252	623029681	/nfs/dbraw/zinc/02/96/81/623029681.db2.gz	UGWXPOUOZNTDGT-LURJTMIESA-N	-1	0	281.106	0.294	20	30		CCEDRM
C#CCN(C)S(=O)(=O)c1ccc(C(=O)[O-])c(C)c1	ZINC000310996781	623614389	/nfs/dbraw/zinc/61/43/89/623614389.db2.gz	NBXZLVZRAPXAPR-UHFFFAOYSA-N	-1	0	267.306	0.947	20	30		CCEDRM
C[C@@H]1CO[C@H](C(=O)C(C#N)=C([O-])c2nccn2C)C1	ZINC000892863826	623856684	/nfs/dbraw/zinc/85/66/84/623856684.db2.gz	OEAGKSLUVQSTPK-AEJSXWLSSA-N	-1	0	261.281	0.737	20	30		CCEDRM
CCS(=O)(=O)c1ccc(C(=O)[N-]S(C)(=O)=O)cc1	ZINC000049501132	624463045	/nfs/dbraw/zinc/46/30/45/624463045.db2.gz	GWXWYICVCYQBIM-UHFFFAOYSA-N	-1	0	291.350	0.744	20	30		CCEDRM
CC(=O)NCc1ccc(C(=O)[N-]S(C)(=O)=O)cc1	ZINC000048480100	624695803	/nfs/dbraw/zinc/69/58/03/624695803.db2.gz	PHJWEXFITQUMPZ-UHFFFAOYSA-N	-1	0	270.310	0.587	20	30		CCEDRM
CS(=O)(=O)[N-]C(=O)[C@@H]1Cc2ccccc2C(=O)O1	ZINC000048479768	624785591	/nfs/dbraw/zinc/78/55/91/624785591.db2.gz	OLRMPGXWYKYWFH-VIFPVBQESA-N	-1	0	269.278	0.684	20	30		CCEDRM
N#Cc1c(F)cccc1S(=O)(=O)N1CC(C(=O)[O-])C1	ZINC000071173172	624798637	/nfs/dbraw/zinc/79/86/37/624798637.db2.gz	NEQSMRUMUJRDDJ-UHFFFAOYSA-N	-1	0	284.268	0.402	20	30		CCEDRM
C=CCN(CC(=O)[O-])C(=O)NCC1(OC)CCC1	ZINC000234607512	625009830	/nfs/dbraw/zinc/00/98/30/625009830.db2.gz	XOXSXKXZGFSMRF-UHFFFAOYSA-N	-1	0	256.302	0.838	20	30		CCEDRM
COCCCNC(=O)C(C#N)=C([O-])c1cccn1C	ZINC000124988337	625747349	/nfs/dbraw/zinc/74/73/49/625747349.db2.gz	GJVCSYGJUQHYJU-JTQLQIEISA-N	-1	0	263.297	0.500	20	30		CCEDRM
Cn1[n-]nnc1=NC(=O)c1ccc(C2(C#N)CC2)cc1	ZINC000904196115	634715277	/nfs/dbraw/zinc/71/52/77/634715277.db2.gz	SYVQJARDQZJDAP-UHFFFAOYSA-N	-1	0	268.280	0.439	20	30		CCEDRM
CS(=O)(=O)[N-]C(=O)CCNC(=O)C=Cc1ccco1	ZINC000048486932	631723713	/nfs/dbraw/zinc/72/37/13/631723713.db2.gz	IKUFJCCCKCNJLZ-PLNGDYQASA-N	-1	0	286.309	0.715	20	30		CCEDRM
C#C[C@@H](C)NS(=O)(=O)c1cc(C(=O)[O-])n(C)c1	ZINC000122983081	631888059	/nfs/dbraw/zinc/88/80/59/631888059.db2.gz	YXWAAHHNUQOUJP-SSDOTTSWSA-N	-1	0	256.283	0.023	20	30		CCEDRM
C[C@H](OCC1CC1)C(=O)[N-]S(=O)(=O)c1cnn(C)c1	ZINC000049135293	631904363	/nfs/dbraw/zinc/90/43/63/631904363.db2.gz	XFXQQGRIKALZIR-QMMMGPOBSA-N	-1	0	287.341	0.880	20	30		CCEDRM
C#CCN(CC(=O)[O-])S(=O)(=O)CCC(C)(C)C	ZINC000232502692	631948210	/nfs/dbraw/zinc/94/82/10/631948210.db2.gz	HUBFWYQMIYFHNE-UHFFFAOYSA-N	-1	0	261.343	0.772	20	30		CCEDRM
C[C@@H](O)CNN=Cc1cc(Cl)ncc1C(=O)[O-]	ZINC000905473176	634864856	/nfs/dbraw/zinc/86/48/56/634864856.db2.gz	HVUHUVBGPVQESY-ZCFIWIBFSA-N	-1	0	257.677	0.738	20	30		CCEDRM
C#CC[N@@H+]1CC[C@]2(NC(=O)c3[nH]nc(C)c3[O-])CCC[C@@H]12	ZINC000990264346	633499344	/nfs/dbraw/zinc/49/93/44/633499344.db2.gz	GGWMWLPSYMYNNI-IAQYHMDHSA-N	-1	0	288.351	0.784	20	30		CCEDRM
N#CCCCS(=O)(=O)N1CCC[C@H](C#CC(=O)[O-])C1	ZINC000899930725	633924340	/nfs/dbraw/zinc/92/43/40/633924340.db2.gz	UBINDAQGDQJVNO-LLVKDONJSA-N	-1	0	284.337	0.420	20	30		CCEDRM
N#Cc1c(Cl)nsc1N1CCOC[C@@H]1C(=O)[O-]	ZINC000900945835	634125998	/nfs/dbraw/zinc/12/59/98/634125998.db2.gz	QRBSMWDHIZKXGZ-ZCFIWIBFSA-N	-1	0	273.701	0.958	20	30		CCEDRM
Cn1nc(C(=O)[O-])cc1C=NN[C@@H]1CCCC[C@H]1O	ZINC000901332798	634230119	/nfs/dbraw/zinc/23/01/19/634230119.db2.gz	PCAKTLWWVREGEN-MWLCHTKSSA-N	-1	0	266.301	0.345	20	30		CCEDRM
N#CC1CN(S(=O)(=O)c2cccc(C(=O)[O-])c2F)C1	ZINC000906997884	635060133	/nfs/dbraw/zinc/06/01/33/635060133.db2.gz	NRNXUCAWGGKIFS-UHFFFAOYSA-N	-1	0	284.268	0.668	20	30		CCEDRM
O=C(C#CC1CC1)N1CCSC[C@@H]1c1nnn[n-]1	ZINC000907480723	635142590	/nfs/dbraw/zinc/14/25/90/635142590.db2.gz	QPXLVXOUYOMCTF-SECBINFHSA-N	-1	0	263.326	0.230	20	30		CCEDRM
N#C[C@]1(C(=O)N[C@H]2C[C@H]3C[C@@H](C(=O)[O-])C[C@H]32)CCCOC1	ZINC000907968656	635252825	/nfs/dbraw/zinc/25/28/25/635252825.db2.gz	JJLXIWJFYXXLEQ-XRHZXQNYSA-N	-1	0	292.335	0.922	20	30		CCEDRM
C#C[C@@](C)(CC)NC(=O)c1ccnc2c(C(=O)[O-])cnn21	ZINC000911385397	636241228	/nfs/dbraw/zinc/24/12/28/636241228.db2.gz	SVOKALOLXNNFPI-AWEZNQCLSA-N	-1	0	286.291	0.959	20	30		CCEDRM
CC#CCN1CC[C@H](NC(=O)c2[nH]nc(C)c2[O-])C1	ZINC001010643378	650246336	/nfs/dbraw/zinc/24/63/36/650246336.db2.gz	UXGHAJFMKCRNAM-JTQLQIEISA-N	-1	0	262.313	0.251	20	30		CCEDRM
C#CCCCC(=O)N[C@@H](Cc1ccncc1)C(=O)[O-]	ZINC000911427119	636259718	/nfs/dbraw/zinc/25/97/18/636259718.db2.gz	PSQNZEVCISUDDA-LBPRGKRZSA-N	-1	0	260.293	0.997	20	30		CCEDRM
C=C(C)COCCNC(=O)N[C@H](CCOC)C(=O)[O-]	ZINC000164156516	636862282	/nfs/dbraw/zinc/86/22/82/636862282.db2.gz	RALNEMXXZKVACI-SNVBAGLBSA-N	-1	0	274.317	0.368	20	30		CCEDRM
C#CCSCCNC(=O)[C@H]1CC[C@@H](C(=O)[O-])C1	ZINC000231937190	637236432	/nfs/dbraw/zinc/23/64/32/637236432.db2.gz	MSSWHQLSMLLYHO-VHSXEESVSA-N	-1	0	255.339	0.970	20	30		CCEDRM
N#Cc1cnn(C(=O)c2nn(-c3ccccc3)cc2[O-])c1N	ZINC000175703986	638212370	/nfs/dbraw/zinc/21/23/70/638212370.db2.gz	JWCRZZYJDNSHJU-UHFFFAOYSA-N	-1	0	294.274	0.917	20	30		CCEDRM
C#CCCCCC(=O)[N-]S(=O)(=O)C[C@@H]1CCCO1	ZINC000180213441	638261002	/nfs/dbraw/zinc/26/10/02/638261002.db2.gz	MZHTWLDPLYZQFD-NSHDSACASA-N	-1	0	273.354	0.805	20	30		CCEDRM
Cc1ccoc1C(=O)[N-]S(=O)(=O)CCCC#N	ZINC000181293095	638333610	/nfs/dbraw/zinc/33/36/10/638333610.db2.gz	ABXIWFOBXMUYMR-UHFFFAOYSA-N	-1	0	256.283	0.951	20	30		CCEDRM
CCO[C@@H](C)C(=O)[N-]S(=O)(=O)Cc1ccc(C#N)cc1	ZINC000069568052	638377746	/nfs/dbraw/zinc/37/77/46/638377746.db2.gz	AECXZBGFEHJFPX-JTQLQIEISA-N	-1	0	296.348	0.929	20	30		CCEDRM
CS[C@H](C)C(=O)[N-]S(=O)(=O)c1cnn(C)c1	ZINC000069642930	638398046	/nfs/dbraw/zinc/39/80/46/638398046.db2.gz	DNLSOXWMIAZHCP-ZCFIWIBFSA-N	-1	0	263.344	0.817	20	30		CCEDRM
N#C[C@]1(C(=O)N2CC[C@H](C(=O)[O-])C2)CCCOC1	ZINC000923069314	640012589	/nfs/dbraw/zinc/01/25/89/640012589.db2.gz	GEWYVNWDCWNYAU-JOYOIKCWSA-N	-1	0	252.270	0.240	20	30		CCEDRM
C[C@@]1(C(=O)[O-])CCN(C(=O)[C@@]2(C#N)CCCOC2)C1	ZINC000923064316	640013005	/nfs/dbraw/zinc/01/30/05/640013005.db2.gz	PFLNXWHIOYFFHN-CHWSQXEVSA-N	-1	0	266.297	0.630	20	30		CCEDRM
N#C[C@@]1(C(=O)N2CC[C@H](C(=O)[O-])C2)CCCOC1	ZINC000923069312	640013110	/nfs/dbraw/zinc/01/31/10/640013110.db2.gz	GEWYVNWDCWNYAU-CABZTGNLSA-N	-1	0	252.270	0.240	20	30		CCEDRM
N#C[C@@]1(C(=O)NCC2(C(=O)[O-])CCC2)CCCOC1	ZINC000923066150	640014200	/nfs/dbraw/zinc/01/42/00/640014200.db2.gz	WLTXUWGIHQFNFW-ZDUSSCGKSA-N	-1	0	266.297	0.678	20	30		CCEDRM
N#C[C@@]1(C(=O)N[C@H]2CC=C(C(=O)[O-])C2)CCCOC1	ZINC000923098120	640020776	/nfs/dbraw/zinc/02/07/76/640020776.db2.gz	GETHRTMJIYGHDU-GWCFXTLKSA-N	-1	0	264.281	0.596	20	30		CCEDRM
N#C[C@@]1(C(=O)NC2CC(C(=O)[O-])C2)CCCOC1	ZINC000923102660	640022464	/nfs/dbraw/zinc/02/24/64/640022464.db2.gz	YIVHNATTXOKFNJ-KWPJZBAWSA-N	-1	0	252.270	0.286	20	30		CCEDRM
O=C([O-])Cn1cc(C=NO[C@H]2CCCCO2)nn1	ZINC000755822679	640338553	/nfs/dbraw/zinc/33/85/53/640338553.db2.gz	HSCBGPTVLCLYED-JTQLQIEISA-N	-1	0	254.246	0.240	20	30		CCEDRM
N#Cc1c(F)cccc1C(=O)OCc1n[nH]c(=O)[n-]1	ZINC000778361188	640415724	/nfs/dbraw/zinc/41/57/24/640415724.db2.gz	VLHZBTFUBSWOTL-UHFFFAOYSA-N	-1	0	262.200	0.878	20	30		CCEDRM
CC#CCS(=O)(=O)[N-]C(=O)c1cccc(OC)c1OC	ZINC000791111009	640445536	/nfs/dbraw/zinc/44/55/36/640445536.db2.gz	KSJZBSJBUOTIHT-UHFFFAOYSA-N	-1	0	297.332	0.787	20	30		CCEDRM
Cc1oc(C#N)cc1C(=O)[N-]S(=O)(=O)c1cccnc1	ZINC000797939343	640472123	/nfs/dbraw/zinc/47/21/23/640472123.db2.gz	WUIJVJZVRGMOLB-UHFFFAOYSA-N	-1	0	291.288	0.973	20	30		CCEDRM
Cn1cc(C([O-])=C(C#N)C(=O)NC2CCCCC2)nn1	ZINC000808980042	640882796	/nfs/dbraw/zinc/88/27/96/640882796.db2.gz	RTSLAVNDSGIXMX-JTQLQIEISA-N	-1	0	275.312	0.586	20	30		CCEDRM
N#CCCCS(=O)(=O)[N-]C(=O)[C@@H]1CCCSC1	ZINC000810657172	640943871	/nfs/dbraw/zinc/94/38/71/640943871.db2.gz	SHJNDIRACCAUCN-SECBINFHSA-N	-1	0	276.383	0.879	20	30		CCEDRM
N#Cc1cncc(S(=O)(=O)[N-]C(=O)Cc2ccoc2)c1	ZINC000813982101	641052128	/nfs/dbraw/zinc/05/21/28/641052128.db2.gz	CMZDLOGPHVSQFS-UHFFFAOYSA-N	-1	0	291.288	0.594	20	30		CCEDRM
O=c1[n-][nH]c(=O)n1N=Cc1ccc(N2CCOCC2)cc1	ZINC000814231104	641061403	/nfs/dbraw/zinc/06/14/03/641061403.db2.gz	LZIZUZBBSBVWIT-UHFFFAOYSA-N	-1	0	289.295	0.408	20	30		CCEDRM
C[C@@H]1C(=NN[C@H]2CCS(=O)(=O)C2)CC[C@@H]1CC(=O)[O-]	ZINC000814680174	641073282	/nfs/dbraw/zinc/07/32/82/641073282.db2.gz	DLKBDBGKJGOXKS-AEJSXWLSSA-N	-1	0	288.369	0.640	20	30		CCEDRM
O=C([O-])C1CC(=NNC(=S)NCCc2ccccn2)C1	ZINC000814828336	641076682	/nfs/dbraw/zinc/07/66/82/641076682.db2.gz	XXLNNKJALQWFNK-UHFFFAOYSA-N	-1	0	292.364	0.939	20	30		CCEDRM
C[C@@H]1CC(=NNCCS(C)(=O)=O)CC[C@@H]1C(=O)[O-]	ZINC000814849205	641078155	/nfs/dbraw/zinc/07/81/55/641078155.db2.gz	LUNYYYQQJZZGIO-SCZZXKLOSA-N	-1	0	276.358	0.497	20	30		CCEDRM
C[C@@H]1C(=NNCCS(C)(=O)=O)CC[C@H]1CC(=O)[O-]	ZINC000814849527	641078753	/nfs/dbraw/zinc/07/87/53/641078753.db2.gz	ZDPXNNJAIYWILH-IUCAKERBSA-N	-1	0	276.358	0.497	20	30		CCEDRM
C[C@H]1CC(=NNCCS(C)(=O)=O)CC[C@@H]1C(=O)[O-]	ZINC000814849207	641078864	/nfs/dbraw/zinc/07/88/64/641078864.db2.gz	LUNYYYQQJZZGIO-WPRPVWTQSA-N	-1	0	276.358	0.497	20	30		CCEDRM
O=C([O-])C=NNC1CCOc2ccc([N+](=O)[O-])cc21	ZINC000814960956	641084371	/nfs/dbraw/zinc/08/43/71/641084371.db2.gz	ZJWSDOYKKQLXOD-UHFFFAOYSA-N	-1	0	265.225	0.756	20	30		CCEDRM
O=C(N[C@@H]1CCCN(O)C1=O)c1cccc([N+](=O)[O-])c1[O-]	ZINC000816758110	641213458	/nfs/dbraw/zinc/21/34/58/641213458.db2.gz	IOVUIJLDNLRNBO-MRVPVSSYSA-N	-1	0	295.251	0.410	20	30		CCEDRM
N#CCCNC(=O)CNc1cccc(CC(=O)[O-])c1	ZINC000819090794	641379782	/nfs/dbraw/zinc/37/97/82/641379782.db2.gz	CMRLGTCLJVKLBB-UHFFFAOYSA-N	-1	0	261.281	0.755	20	30		CCEDRM
O=C(N[C@H]1CCN(O)C1=O)c1ccc([O-])c(Cl)c1	ZINC000820155904	641475460	/nfs/dbraw/zinc/47/54/60/641475460.db2.gz	BHKJBIHFKCCSIV-QMMMGPOBSA-N	-1	0	270.672	0.766	20	30		CCEDRM
O=C(N[C@@H]1CCN(O)C1=O)c1cc(F)c(F)c([O-])c1F	ZINC000820185942	641482398	/nfs/dbraw/zinc/48/23/98/641482398.db2.gz	RVRAQDPGJZPJDM-ZCFIWIBFSA-N	-1	0	290.197	0.529	20	30		CCEDRM
C[C@@H](CC(=O)[N-]S(=O)(=O)CCCC#N)n1cccn1	ZINC000820510462	641512667	/nfs/dbraw/zinc/51/26/67/641512667.db2.gz	VAJAYJDZCZGJKW-JTQLQIEISA-N	-1	0	284.341	0.584	20	30		CCEDRM
N#CCCS(=O)(=O)[N-]C(=O)c1cccc([N+](=O)[O-])c1	ZINC000821583917	641611635	/nfs/dbraw/zinc/61/16/35/641611635.db2.gz	LGVZQRQKHUXTOB-UHFFFAOYSA-N	-1	0	283.265	0.568	20	30		CCEDRM
Cc1nc(C)c(C(=O)[N-]S(=O)(=O)CCC#N)s1	ZINC000821583572	641611667	/nfs/dbraw/zinc/61/16/67/641611667.db2.gz	ADDFLFQKSBCOFV-UHFFFAOYSA-N	-1	0	273.339	0.733	20	30		CCEDRM
C[C@H](CN(C)C(=O)[O-])C(=O)N[C@]1(C#N)CCSC1	ZINC000824848326	641848656	/nfs/dbraw/zinc/84/86/56/641848656.db2.gz	NOQLNZURHFJIQL-KCJUWKMLSA-N	-1	0	271.342	0.748	20	30		CCEDRM
N#Cc1c(-c2nnn[n-]2)ncn1Cc1ccccn1	ZINC000826383159	641929662	/nfs/dbraw/zinc/92/96/62/641929662.db2.gz	NGMGVHGNFKZIQG-UHFFFAOYSA-N	-1	0	252.241	0.378	20	30		CCEDRM
C[C@@H](CN(C)C(=O)C#Cc1cccs1)c1nnn[n-]1	ZINC000829165975	642148047	/nfs/dbraw/zinc/14/80/47/642148047.db2.gz	LGEAGKLQVNJMOJ-VIFPVBQESA-N	-1	0	275.337	0.875	20	30		CCEDRM
N#CCN(CC(=O)[O-])CC(=O)N1CCc2sccc2C1	ZINC000833065525	642533164	/nfs/dbraw/zinc/53/31/64/642533164.db2.gz	BUJYDWJHONRXFQ-UHFFFAOYSA-N	-1	0	293.348	0.543	20	30		CCEDRM
Cc1[nH]c(C#N)cc1C(=O)[N-]S(=O)(=O)CC(F)(F)F	ZINC000835186473	642652688	/nfs/dbraw/zinc/65/26/88/642652688.db2.gz	QJKBAKWJOROTRR-UHFFFAOYSA-N	-1	0	295.242	0.817	20	30		CCEDRM
CC#CCS(=O)(=O)[N-]C(=O)c1cnc2n1CCCC2	ZINC000835371020	642658455	/nfs/dbraw/zinc/65/84/55/642658455.db2.gz	DFEXJEMKPGWFAJ-UHFFFAOYSA-N	-1	0	281.337	0.302	20	30		CCEDRM
N#Cc1cncc(S(=O)(=O)[N-]C(=O)[C@@H]2CCC(=O)C2)c1	ZINC000842807263	642957466	/nfs/dbraw/zinc/95/74/66/642957466.db2.gz	UQVAEXYQMFYOFT-SECBINFHSA-N	-1	0	293.304	0.127	20	30		CCEDRM
C[C@H](CC#N)N(C)S(=O)(=O)N[C@H](CC(=O)[O-])C1CC1	ZINC000844789031	643248156	/nfs/dbraw/zinc/24/81/56/643248156.db2.gz	IGVXHPLKIWJQPI-PSASIEDQSA-N	-1	0	289.357	0.308	20	30		CCEDRM
C[C@@H](C#N)CN(C)S(=O)(=O)N(CCC(=O)[O-])C1CC1	ZINC000844791652	643248189	/nfs/dbraw/zinc/24/81/89/643248189.db2.gz	KFTLVPGYDABGRR-VIFPVBQESA-N	-1	0	289.357	0.262	20	30		CCEDRM
N#CCC1(CS(=O)(=O)NC/C=C\C(=O)[O-])CC1	ZINC000844795778	643248836	/nfs/dbraw/zinc/24/88/36/643248836.db2.gz	GZMKKCUOZTXKKG-UPHRSURJSA-N	-1	0	258.299	0.240	20	30		CCEDRM
CC#CCS(=O)(=O)[N-]C(=O)c1ncccc1SC	ZINC000845544236	643327141	/nfs/dbraw/zinc/32/71/41/643327141.db2.gz	HTPOLEJYLKTDOI-UHFFFAOYSA-N	-1	0	284.362	0.886	20	30		CCEDRM
Cn1ncc(C(=O)[O-])c1C=NNCC(F)(F)F	ZINC000848407622	643633247	/nfs/dbraw/zinc/63/32/47/643633247.db2.gz	AMEXAYHETZNPII-UHFFFAOYSA-N	-1	0	250.180	0.604	20	30		CCEDRM
N#CCCS(=O)(=O)[N-]C(=O)c1ccc2c(c1)CCOC2	ZINC000851015236	643826548	/nfs/dbraw/zinc/82/65/48/643826548.db2.gz	AZMOOAMGDBLNSX-UHFFFAOYSA-N	-1	0	294.332	0.733	20	30		CCEDRM
Cc1nn(C)cc1S(=O)(=O)[N-]C(=O)[C@H](C)CC#N	ZINC000851024930	643827318	/nfs/dbraw/zinc/82/73/18/643827318.db2.gz	BTDPVMZTNDPUOY-SSDOTTSWSA-N	-1	0	270.314	0.083	20	30		CCEDRM
Cn1c(C#N)ccc1C(=O)[N-]S(=O)(=O)CC(F)F	ZINC000851363880	643844132	/nfs/dbraw/zinc/84/41/32/643844132.db2.gz	WTEQPCQDYYBRPR-UHFFFAOYSA-N	-1	0	277.252	0.221	20	30		CCEDRM
C[C@H](O)CNN=C1C(=O)Nc2cc([O-])c(Cl)cc21	ZINC000853350204	644100773	/nfs/dbraw/zinc/10/07/73/644100773.db2.gz	DOGKGKGBFAQVNA-YFKPBYRVSA-N	-1	0	269.688	0.672	20	30		CCEDRM
C#C[C@](C)(CC)NC(=O)c1c[n-]n2c1nccc2=O	ZINC000854704008	644252357	/nfs/dbraw/zinc/25/23/57/644252357.db2.gz	JCSXBUIFNPLMAB-CYBMUJFWSA-N	-1	0	258.281	0.554	20	30		CCEDRM
N#Cc1ccc(NCCNC(=O)N2CC(C(=O)[O-])C2)nc1	ZINC000857097849	644464257	/nfs/dbraw/zinc/46/42/57/644464257.db2.gz	WGUVCOILNQVTIQ-UHFFFAOYSA-N	-1	0	289.295	0.091	20	30		CCEDRM
C[C@H]1C(=O)N(N=Cc2ccc(C(=O)[O-])[nH]2)C(=O)N1C	ZINC000857214791	644481980	/nfs/dbraw/zinc/48/19/80/644481980.db2.gz	HLHSGWOQTBPFJU-LURJTMIESA-N	-1	0	264.241	0.329	20	30		CCEDRM
N#CC(C(=O)N1CCCC1)=C([O-])c1ccnc2ccnn21	ZINC000860461084	644803284	/nfs/dbraw/zinc/80/32/84/644803284.db2.gz	FHIRCJKUFDKIQY-JTQLQIEISA-N	-1	0	283.291	0.674	20	30		CCEDRM
C#CCO[C@@H](C)C(=O)[N-]S(=O)(=O)[C@@H]1COC(C)(C)C1	ZINC000861138166	644858228	/nfs/dbraw/zinc/85/82/28/644858228.db2.gz	ADCINUOKXOYTHQ-UWVGGRQHSA-N	-1	0	289.353	0.038	20	30		CCEDRM
O=C([O-])c1cccc2c1CC(=NNC1=NCC(=O)N1)CC2	ZINC000863176896	645066250	/nfs/dbraw/zinc/06/62/50/645066250.db2.gz	FYXOATLCHKMCDQ-UHFFFAOYSA-N	-1	0	286.291	0.305	20	30		CCEDRM
N#CC1(C(=O)NC2CC(C(=O)[O-])C2)CCOCC1	ZINC000864203316	645186279	/nfs/dbraw/zinc/18/62/79/645186279.db2.gz	RULAUAUEZWVMIE-UHFFFAOYSA-N	-1	0	252.270	0.286	20	30		CCEDRM
N#C[C@]1(F)CCN(C(=O)N[C@H]2C[C@H](C(=O)[O-])C2)C1	ZINC000874428911	646463577	/nfs/dbraw/zinc/46/35/77/646463577.db2.gz	UOEFBSGWBXUUEG-SOCHQFKDSA-N	-1	0	255.249	0.497	20	30		CCEDRM
Cc1[nH]nc(C(=O)N2C[C@H](C)N(CC#N)[C@@H](C)C2)c1[O-]	ZINC000880456965	647203329	/nfs/dbraw/zinc/20/33/29/647203329.db2.gz	ZSXLKGVISPCPEP-IUCAKERBSA-N	-1	0	277.328	0.482	20	30		CCEDRM
C#CC1(NC(=O)c2c[n-]n3c2nccc3=O)CCCC1	ZINC000882533310	647415893	/nfs/dbraw/zinc/41/58/93/647415893.db2.gz	SJSPJRCUFYNLHO-UHFFFAOYSA-N	-1	0	270.292	0.698	20	30		CCEDRM
N#Cc1c(F)cccc1S(=O)(=O)NC/C=C/C(=O)[O-]	ZINC000302115966	648147443	/nfs/dbraw/zinc/14/74/43/648147443.db2.gz	RHPXIXMDGKUYNW-GORDUTHDSA-N	-1	0	284.268	0.616	20	30		CCEDRM
O=C(Nc1ccnn1C1CC1)N[C@@H]1CCCN(O)C1=O	ZINC000934534358	649179021	/nfs/dbraw/zinc/17/90/21/649179021.db2.gz	FCWPZFIALPJWLH-SECBINFHSA-N	-1	0	279.300	0.720	20	30		CCEDRM
CS(=O)(=O)[N-]C(=O)c1ccc(S(C)(=O)=O)cc1	ZINC000042280598	649287888	/nfs/dbraw/zinc/28/78/88/649287888.db2.gz	CLYVWJUKNCTTJK-UHFFFAOYSA-N	-1	0	277.323	0.354	20	30		CCEDRM
N#CCCCS(=O)(=O)[N-]C(=O)c1cn2ccnc2s1	ZINC000190845375	649461374	/nfs/dbraw/zinc/46/13/74/649461374.db2.gz	YEAQDPHLEKXKSN-UHFFFAOYSA-N	-1	0	298.349	0.759	20	30		CCEDRM
C=C(Br)CNC(=O)[C@@H]1CC[C@@H](C(=O)[O-])O1	ZINC000191184636	649469480	/nfs/dbraw/zinc/46/94/80/649469480.db2.gz	FWHVHMMZUMBFNP-BQBZGAKWSA-N	-1	0	278.102	0.643	20	30		CCEDRM
C=CCN(CC(=O)[O-])C(=O)c1ccc(=O)n(C)c1	ZINC000191265352	649471061	/nfs/dbraw/zinc/47/10/61/649471061.db2.gz	ABRJZWRAKCXQOX-UHFFFAOYSA-N	-1	0	250.254	0.098	20	30		CCEDRM
N#CCCCS(=O)(=O)[N-]C(=O)CCOCC(F)F	ZINC000192279819	649503607	/nfs/dbraw/zinc/50/36/07/649503607.db2.gz	DOYANIIJMUJGHQ-UHFFFAOYSA-N	-1	0	284.284	0.408	20	30		CCEDRM
CC(C)NC(=O)C(C#N)=C([O-])c1ccc(-n2cnnn2)cc1	ZINC000193483010	649541839	/nfs/dbraw/zinc/54/18/39/649541839.db2.gz	BDDQWRBQKZAXLL-GFCCVEGCSA-N	-1	0	298.306	0.509	20	30		CCEDRM
COCCCNC(=O)C(C#N)=C([O-])c1cnc(C)s1	ZINC000194678692	649584095	/nfs/dbraw/zinc/58/40/95/649584095.db2.gz	NACTYDZRUWZPNI-VIFPVBQESA-N	-1	0	281.337	0.927	20	30		CCEDRM
C=CCN(CC(=O)[O-])C(=O)NCc1nccs1	ZINC000092467586	649724411	/nfs/dbraw/zinc/72/44/11/649724411.db2.gz	XGTNWTKAORNDJX-UHFFFAOYSA-N	-1	0	255.299	0.925	20	30		CCEDRM
C=CCOC(=O)[C@H](Cc1ccccc1)NC(=O)C(=O)[O-]	ZINC001143422439	791462136	/nfs/dbraw/zinc/46/21/36/791462136.db2.gz	FSLIZTVSYGZJKJ-NSHDSACASA-N	-1	0	277.276	0.528	20	30		CCEDRM
Cc1nc(Cl)c(C#N)c(N[C@@H]2CO[N-]C2=O)n1	ZINC001167510961	791496303	/nfs/dbraw/zinc/49/63/03/791496303.db2.gz	KHTPZFRCEAIJOS-ZCFIWIBFSA-N	-1	0	253.649	0.152	20	30		CCEDRM
COc1c(N[C@@H]2CO[N-]C2=O)ccc(F)c1C#N	ZINC001167522863	791509119	/nfs/dbraw/zinc/50/91/19/791509119.db2.gz	RWELFMOEOHEPKB-SECBINFHSA-N	-1	0	251.217	0.548	20	30		CCEDRM
C#C[C@@H](Oc1[nH]c(=O)nc2cn[n-]c21)c1ccncc1	ZINC001233939081	806152762	/nfs/dbraw/zinc/15/27/62/806152762.db2.gz	HHGVKQAMDMGNOZ-SNVBAGLBSA-N	-1	0	267.248	0.795	20	30		CCEDRM
COC(=O)c1[n-]c(C)nc(=O)c1OC1=C(C)O[C@@H](C)C1=O	ZINC001234564805	806274136	/nfs/dbraw/zinc/27/41/36/806274136.db2.gz	QKJLSFUOWBFWJP-YFKPBYRVSA-N	-1	0	294.263	0.875	20	30		CCEDRM
CNC(=O)c1cccc(C([O-])=C(C#N)C(=O)NC2CC2)n1	ZINC001122413114	799227303	/nfs/dbraw/zinc/22/73/03/799227303.db2.gz	DLTHPEPJPXDMLD-SECBINFHSA-N	-1	0	286.291	0.042	20	30		CCEDRM
C#CCN(CC)c1nnc(-c2cc(=O)[nH][n-]2)n1CC(=C)C	ZINC001122602637	799273162	/nfs/dbraw/zinc/27/31/62/799273162.db2.gz	VGYDLPWDYCACLM-UHFFFAOYSA-N	-1	0	286.339	0.538	20	30		CCEDRM
CNC(=O)C(C#N)=C([O-])c1cccc(C[S@](C)=O)c1	ZINC001122707493	799289041	/nfs/dbraw/zinc/28/90/41/799289041.db2.gz	LJMVYSSUGZVQRA-WLRWDXFRSA-N	-1	0	278.333	0.634	20	30		CCEDRM
C=C(CC(C)C)C(=O)N1CCO[C@@H](c2nnn[n-]2)C1	ZINC001123560526	799432891	/nfs/dbraw/zinc/43/28/91/799432891.db2.gz	NQHUAYUNQYUDJT-SNVBAGLBSA-N	-1	0	265.317	0.702	20	30		CCEDRM
N#Cc1ccnc(C(=O)NCCc2n[n-]c(=S)o2)c1	ZINC001138524583	799737935	/nfs/dbraw/zinc/73/79/35/799737935.db2.gz	DQZKTACHVRDSGS-UHFFFAOYSA-N	-1	0	275.293	0.597	20	30		CCEDRM
N#Cc1ncc([N-]S(=O)(=O)c2cncc(N)c2)cc1F	ZINC001203055197	799927457	/nfs/dbraw/zinc/92/74/57/799927457.db2.gz	JOMQPCIHHLNCAW-UHFFFAOYSA-N	-1	0	293.283	0.870	20	30		CCEDRM
O=C(N[C@H]1CCN(O)C1=O)c1c2nc[nH]c2ccc1F	ZINC001141380427	800003218	/nfs/dbraw/zinc/00/32/18/800003218.db2.gz	PHWJRHRILDAUOE-QMMMGPOBSA-N	-1	0	278.243	0.422	20	30		CCEDRM
CC1(C)C[C@]1(C#N)NC(=O)CCCn1c(=O)[n-][nH]c1=O	ZINC001141609697	800024219	/nfs/dbraw/zinc/02/42/19/800024219.db2.gz	QWQZDFJWNONAPO-GFCCVEGCSA-N	-1	0	279.300	0.278	20	30		CCEDRM
CC(C)Cn1[n-]c(CC(=O)N(CC#N)CC#N)cc1=O	ZINC001143315681	800229490	/nfs/dbraw/zinc/22/94/90/800229490.db2.gz	DGEIIJKTUCJESO-UHFFFAOYSA-N	-1	0	275.312	0.251	20	30		CCEDRM
C=C[C@@H](O)C(=O)N[C@@H](Cc1ccccc1)c1n[nH]c(=O)[n-]1	ZINC001151368138	800419957	/nfs/dbraw/zinc/41/99/57/800419957.db2.gz	CPJYAVBIHJFPFI-WDEREUQCSA-N	-1	0	288.307	0.457	20	30		CCEDRM
Cn1cc([C@H](O)C(=O)[N-]Oc2cccc(C#N)c2)cn1	ZINC001151432483	800425289	/nfs/dbraw/zinc/42/52/89/800425289.db2.gz	ZYLQEDJMBPVZLI-LBPRGKRZSA-N	-1	0	272.264	0.435	20	30		CCEDRM
N#Cc1cc(C(=O)N2CC[C@@H](c3nnn[n-]3)C2)c[nH]1	ZINC001153000948	800578945	/nfs/dbraw/zinc/57/89/45/800578945.db2.gz	HODRWUYXYVZIMS-SSDOTTSWSA-N	-1	0	257.257	0.029	20	30		CCEDRM
Cc1nc2c(C(=O)N(O)C(=N)c3ccccc3N)c[nH]n2n1	ZINC001154666038	800825814	/nfs/dbraw/zinc/82/58/14/800825814.db2.gz	ZSLHWAXPJKAOOR-UHFFFAOYSA-N	-1	0	299.294	0.805	20	30		CCEDRM
N#Cc1cc([N+](=O)[O-])cnc1N[C@H]1SC(=O)[N-]C1=O	ZINC001155841248	801063037	/nfs/dbraw/zinc/06/30/37/801063037.db2.gz	DQRHJRLOXZYYAY-QMMMGPOBSA-N	-1	0	279.237	0.582	20	30		CCEDRM
N#Cc1cncc(CNc2nccnc2CC(=O)[O-])c1	ZINC001160995226	802058250	/nfs/dbraw/zinc/05/82/50/802058250.db2.gz	JOAUEDLCYOIFQT-UHFFFAOYSA-N	-1	0	269.264	0.982	20	30		CCEDRM
C=CCN1CCC[C@@H]([N-]S(=O)(=O)C(F)F)C1=O	ZINC001259962442	808825279	/nfs/dbraw/zinc/82/52/79/808825279.db2.gz	KDJMVMNCUMECNQ-SSDOTTSWSA-N	-1	0	268.285	0.305	20	30		CCEDRM
N#Cc1nc(N)c(Nc2ccc(C(=O)[O-])nc2)nc1C#N	ZINC001210170794	803640514	/nfs/dbraw/zinc/64/05/14/803640514.db2.gz	UVEWXUAVNGHKSV-UHFFFAOYSA-N	-1	0	281.235	0.639	20	30		CCEDRM
Cc1cc(CO)ccc1NC(=N[O-])c1nonc1N	ZINC001214657707	803754886	/nfs/dbraw/zinc/75/48/86/803754886.db2.gz	SLVZELZFQQACOZ-UHFFFAOYSA-N	-1	0	263.257	0.700	20	30		CCEDRM
COC(=O)[C@@H](N)CC(=O)Nc1cc(C#N)c(F)cc1[O-]	ZINC001219068568	804189835	/nfs/dbraw/zinc/18/98/35/804189835.db2.gz	YLZUKHNJODLPQV-QMMMGPOBSA-N	-1	0	281.243	0.232	20	30		CCEDRM
CN(CC#N)CCN(C)C(=O)c1n[n-]c2ccccc2c1=O	ZINC001272125597	815021742	/nfs/dbraw/zinc/02/17/42/815021742.db2.gz	JNUOITKYMULRPE-UHFFFAOYSA-N	-1	0	299.334	0.863	20	30		CCEDRM
C=CCC[C@H](NC(=O)Nc1cnn(C)c1)C(=O)[O-]	ZINC000316118115	804671666	/nfs/dbraw/zinc/67/16/66/804671666.db2.gz	QYESIFVPYBYDEH-VIFPVBQESA-N	-1	0	252.274	0.961	20	30		CCEDRM
C=CCOC[C@@H](CS(=O)(=O)[O-])OCC1CCOCC1	ZINC001222639894	804922229	/nfs/dbraw/zinc/92/22/29/804922229.db2.gz	QYRFBBUCUMUOGA-LBPRGKRZSA-N	-1	0	294.369	0.889	20	30		CCEDRM
CC(C)(C)OC(=O)N1C[C@H](OCc2nnn[n-]2)[C@H](C#N)C1	ZINC001223030333	804949598	/nfs/dbraw/zinc/94/95/98/804949598.db2.gz	VYOBELAQWSUBGR-BDAKNGLRSA-N	-1	0	294.315	0.475	20	30		CCEDRM
C=CCOC[C@H](CS(=O)(=O)[O-])OCC1(C)COC1	ZINC001224467497	805040511	/nfs/dbraw/zinc/04/05/11/805040511.db2.gz	NLXBTPCOGBPTAX-SNVBAGLBSA-N	-1	0	280.342	0.499	20	30		CCEDRM
C=CCOC[C@H](CS(=O)(=O)[O-])Oc1nccc(C)n1	ZINC001225630092	805146106	/nfs/dbraw/zinc/14/61/06/805146106.db2.gz	FVNJGAVBXRIBMX-SNVBAGLBSA-N	-1	0	288.325	0.623	20	30		CCEDRM
C=CCOC[C@@H](CS(=O)(=O)[O-])Oc1ncccc1O	ZINC001225655553	805147096	/nfs/dbraw/zinc/14/70/96/805147096.db2.gz	WGDRJAUMJILDLN-VIFPVBQESA-N	-1	0	289.309	0.625	20	30		CCEDRM
C=C(C)C(=O)OC[C@@H](C)Oc1[n-]c(=O)ncc1[N+](=O)[O-]	ZINC001226332020	805220444	/nfs/dbraw/zinc/22/04/44/805220444.db2.gz	RAWCHWFHYSRNHY-SSDOTTSWSA-N	-1	0	283.240	0.977	20	30		CCEDRM
C=CCOC[C@@H](CS(=O)(=O)[O-])Oc1n[nH]c(C)c1C	ZINC001226515121	805240341	/nfs/dbraw/zinc/24/03/41/805240341.db2.gz	RZPJCIQEQBIWLR-JTQLQIEISA-N	-1	0	290.341	0.864	20	30		CCEDRM
Cc1cc(OC(=O)[C@@H](O)CC(=O)[O-])cc(C)c1C#N	ZINC001226830859	805287867	/nfs/dbraw/zinc/28/78/67/805287867.db2.gz	DHECOYMSEPSIST-NSHDSACASA-N	-1	0	263.249	0.916	20	30		CCEDRM
C#C[C@@H]1CCC[C@@H]1Oc1[n-]c(=O)nc2c(=O)[n-]c(=O)[nH]c12	ZINC001226886842	805291691	/nfs/dbraw/zinc/29/16/91/805291691.db2.gz	UNUVKRKMELRYHR-RQJHMYQMSA-N	-1	0	288.263	0.717	20	30		CCEDRM
N#Cc1ccc(F)c(OC(=O)[C@@H](O)CC(=O)[O-])c1	ZINC001227057656	805313816	/nfs/dbraw/zinc/31/38/16/805313816.db2.gz	DULACLKCBSEQJO-QMMMGPOBSA-N	-1	0	253.185	0.438	20	30		CCEDRM
C#C[C@@H](Oc1[n-]c(=O)nc2nc[nH]c21)C(=O)OCC	ZINC001227068630	805319733	/nfs/dbraw/zinc/31/97/33/805319733.db2.gz	BLDCATYDKFWQPU-ZCFIWIBFSA-N	-1	0	262.225	0.002	20	30		CCEDRM
N#Cc1cc(OC(=O)[C@@H](O)CC(=O)[O-])cnc1Cl	ZINC001227743834	805385452	/nfs/dbraw/zinc/38/54/52/805385452.db2.gz	CEFQBIJIVKDOPH-ZETCQYMHSA-N	-1	0	270.628	0.348	20	30		CCEDRM
C=C(C)C(=O)OC[C@H](C)Oc1nc(O)cc(=O)[n-]1	ZINC001228388504	805442627	/nfs/dbraw/zinc/44/26/27/805442627.db2.gz	JPXKMVNKHHCQOA-ZETCQYMHSA-N	-1	0	254.242	0.774	20	30		CCEDRM
C=CC(C)(C)C(=O)NC1CCN(Cc2n[nH]c(=O)[n-]2)CC1	ZINC001228631184	805461543	/nfs/dbraw/zinc/46/15/43/805461543.db2.gz	GBIQNYRJUMOIKB-UHFFFAOYSA-N	-1	0	293.371	0.803	20	30		CCEDRM
N#Cc1cccc([N+](=O)[O-])c1OC(=O)[C@@H](O)CC(=O)[O-]	ZINC001228768055	805477609	/nfs/dbraw/zinc/47/76/09/805477609.db2.gz	GFVHHOWVEJXXDB-QMMMGPOBSA-N	-1	0	280.192	0.207	20	30		CCEDRM
C#C[C@H](Oc1cc(O)cc([O-])c1[N+](=O)[O-])C(=O)OCC	ZINC001228972832	805494563	/nfs/dbraw/zinc/49/45/63/805494563.db2.gz	DQYILEYZDKDSPJ-VIFPVBQESA-N	-1	0	281.220	0.950	20	30		CCEDRM
N#Cc1ccc(Cl)c(OC(=O)[C@H](O)CC(=O)[O-])c1	ZINC001229247806	805515506	/nfs/dbraw/zinc/51/55/06/805515506.db2.gz	JDSQUKUHUNUJCS-MRVPVSSYSA-N	-1	0	269.640	0.953	20	30		CCEDRM
C=CCNC(=O)c1cccnc1-c1cnn(CC(=O)[O-])c1	ZINC001242182200	806994598	/nfs/dbraw/zinc/99/45/98/806994598.db2.gz	VVQNVHRFWQZOEK-UHFFFAOYSA-N	-1	0	286.291	0.946	20	30		CCEDRM
CC(C)S(=O)(=O)[N-]c1c(C#N)cnn1-c1ncccn1	ZINC001252427122	807841449	/nfs/dbraw/zinc/84/14/49/807841449.db2.gz	KYWBKOVDBCMQRA-UHFFFAOYSA-N	-1	0	292.324	0.684	20	30		CCEDRM
C#CCCCc1cn(CCOCCC(=O)[O-])nn1	ZINC001254090841	808180260	/nfs/dbraw/zinc/18/02/60/808180260.db2.gz	QDLSOCJIJGCYGZ-UHFFFAOYSA-N	-1	0	251.286	0.725	20	30		CCEDRM
C=CCS(=O)(=O)[N-]C(=O)c1cnn2c1nc(C)cc2C	ZINC001254103869	808182540	/nfs/dbraw/zinc/18/25/40/808182540.db2.gz	AGERERCPSQSXAG-UHFFFAOYSA-N	-1	0	294.336	0.592	20	30		CCEDRM
C[C@H]1COC(=O)C1=NN=c1[n-]ncc(N)c1Cl	ZINC001257405705	808614753	/nfs/dbraw/zinc/61/47/53/808614753.db2.gz	UGWLMEUVMKGHKP-BYPYZUCNSA-N	-1	0	255.665	0.673	20	30		CCEDRM
N#Cc1ccc(S(=O)(=O)NCC[P@](=O)([O-])O)cc1	ZINC001258150378	808660071	/nfs/dbraw/zinc/66/00/71/808660071.db2.gz	JHEIUPXSCPPJEJ-UHFFFAOYSA-N	-1	0	290.237	0.014	20	30		CCEDRM
COc1nonc1[N-]S(=O)(=O)c1ccccc1C#N	ZINC001258201991	808664039	/nfs/dbraw/zinc/66/40/39/808664039.db2.gz	UEPUGVZJNLFQLK-UHFFFAOYSA-N	-1	0	280.265	0.751	20	30		CCEDRM
COC(=O)CS(=O)(=O)[N-]c1snc(C)c1C#N	ZINC001259017453	808716551	/nfs/dbraw/zinc/71/65/51/808716551.db2.gz	WCCVPSYNBUJIAM-UHFFFAOYSA-N	-1	0	275.311	0.238	20	30		CCEDRM
Cn1cc([N-]S(=O)(=O)C2CCCC2)c(C#N)n1	ZINC001259794813	808770967	/nfs/dbraw/zinc/77/09/67/808770967.db2.gz	SBCOCHZHSGYWGM-UHFFFAOYSA-N	-1	0	254.315	0.976	20	30		CCEDRM
CCn1cc(S(=O)(=O)[N-]c2cnc(C#N)nc2)cn1	ZINC001259832683	808782784	/nfs/dbraw/zinc/78/27/84/808782784.db2.gz	RLUYHSYNCDKGPZ-UHFFFAOYSA-N	-1	0	278.297	0.365	20	30		CCEDRM
C#CC[C@H]([N-]S(=O)(=O)CCC(F)(F)F)C(=O)OC	ZINC001259875429	808790242	/nfs/dbraw/zinc/79/02/42/808790242.db2.gz	CQFIFXNAKLOVBZ-ZETCQYMHSA-N	-1	0	287.259	0.423	20	30		CCEDRM
N#Cc1ccc(C(F)(F)F)nc1[N-]S(N)(=O)=O	ZINC001260074795	808840654	/nfs/dbraw/zinc/84/06/54/808840654.db2.gz	PTERAOBQJRUPKX-UHFFFAOYSA-N	-1	0	266.204	0.587	20	30		CCEDRM
Cc1nn(C)c(C)c1S(=O)(=O)[N-]c1cnc(C#N)nc1	ZINC001260105649	808852657	/nfs/dbraw/zinc/85/26/57/808852657.db2.gz	MOHZQLNUIMQQDZ-UHFFFAOYSA-N	-1	0	292.324	0.499	20	30		CCEDRM
C=CCC(F)(F)C(=O)[N-]S(=O)(=O)N(C)C(C)C	ZINC001261243433	808937353	/nfs/dbraw/zinc/93/73/53/808937353.db2.gz	FHXIVLNTITXUOF-UHFFFAOYSA-N	-1	0	270.301	0.899	20	30		CCEDRM
COC[C@@H](CS(=O)(=O)[N-]C(=O)CCCCC#N)OC	ZINC001261647750	809045707	/nfs/dbraw/zinc/04/57/07/809045707.db2.gz	GWZUBJPHHGKPNU-JTQLQIEISA-N	-1	0	292.357	0.178	20	30		CCEDRM
C=C[C@H]1CCCCN1C(=O)C(=O)N[C@H]1C[C@H](C(=O)[O-])C1	ZINC001262057970	809176240	/nfs/dbraw/zinc/17/62/40/809176240.db2.gz	JYORDOBSNYQEKP-DCAQKATOSA-N	-1	0	280.324	0.533	20	30		CCEDRM
C=CCN(CC(=O)[O-])C(=O)c1cc([C@@H]2CCCN2C)[nH]n1	ZINC001262177497	809222916	/nfs/dbraw/zinc/22/29/16/809222916.db2.gz	WLLNGJVNNONTQA-LBPRGKRZSA-N	-1	0	292.339	0.889	20	30		CCEDRM
C=C(C)C[C@@H](NC(=O)CCc1ccn(C)n1)C(=O)[O-]	ZINC001262178764	809224068	/nfs/dbraw/zinc/22/40/68/809224068.db2.gz	PZYKMGUDWDURMA-LLVKDONJSA-N	-1	0	265.313	0.888	20	30		CCEDRM
COCCn1ccc(C([O-])=C(C#N)C(=O)N2CCCC2)n1	ZINC001263292961	809504044	/nfs/dbraw/zinc/50/40/44/809504044.db2.gz	YFERIMUHOZGJQN-NSHDSACASA-N	-1	0	290.323	0.474	20	30		CCEDRM
C#CCO[C@H](C)C(=O)N[C@@H]1CCC[C@H]1CC(=O)[O-]	ZINC001263634426	809545003	/nfs/dbraw/zinc/54/50/03/809545003.db2.gz	DDVRZRYPWCJDKZ-OUAUKWLOSA-N	-1	0	253.298	0.784	20	30		CCEDRM
C=CCN(CC(=O)[O-])C(=O)NCC[C@@H](COC)OC	ZINC000694349099	811425603	/nfs/dbraw/zinc/42/56/03/811425603.db2.gz	WWRWQJRTMUIVET-JTQLQIEISA-N	-1	0	274.317	0.320	20	30		CCEDRM
N#Cc1cnccc1[N-]S(=O)(=O)c1ccc(F)cc1N	ZINC001214020336	815577906	/nfs/dbraw/zinc/57/79/06/815577906.db2.gz	BPHVWLGGOLGXGU-UHFFFAOYSA-N	-1	0	292.295	0.897	20	30		CCEDRM
C=CC(C)(C)C(=O)N[C@@H]1CCN(Cc2n[nH]c(=O)[n-]2)C1	ZINC001269156050	813243555	/nfs/dbraw/zinc/24/35/55/813243555.db2.gz	KILKYTBTOCPGAT-SECBINFHSA-N	-1	0	279.344	0.413	20	30		CCEDRM
C=CCOC[C@@H](CS(=O)(=O)[O-])OCCOC	ZINC001204969968	813934117	/nfs/dbraw/zinc/93/41/17/813934117.db2.gz	AGNMPRCECVRZRK-VIFPVBQESA-N	-1	0	254.304	0.108	20	30		CCEDRM
N#CCCN1CC(Oc2nc3ncnc-3c(S)[n-]2)C1	ZINC001226784735	814145138	/nfs/dbraw/zinc/14/51/38/814145138.db2.gz	IDVOSJWOQQOJLN-UHFFFAOYSA-N	-1	0	276.325	0.618	20	30		CCEDRM
Cc1[nH]nc(C(=O)N2CCCCC[C@@H](NCC#N)C2)c1[O-]	ZINC001088297653	814584314	/nfs/dbraw/zinc/58/43/14/814584314.db2.gz	TVRDAXJFOPJGMN-LLVKDONJSA-N	-1	0	291.355	0.922	20	30		CCEDRM
CCN(C(=O)c1n[nH]c(C)c1[O-])[C@H]1CCN(CC#N)C1	ZINC001033807406	818945123	/nfs/dbraw/zinc/94/51/23/818945123.db2.gz	SVAOHRWUULRCOX-JTQLQIEISA-N	-1	0	277.328	0.484	20	30		CCEDRM
C#CCCCCC(=O)N1CC[C@@](OC)(C(=O)[O-])C1	ZINC000703763274	819324959	/nfs/dbraw/zinc/32/49/59/819324959.db2.gz	XYQZXLRETLMBGB-ZDUSSCGKSA-N	-1	0	253.298	0.882	20	30		CCEDRM
N#CC1(CC(=O)OCc2n[nH]c(=O)[n-]2)CCOCC1	ZINC001118421108	820490221	/nfs/dbraw/zinc/49/02/21/820490221.db2.gz	XZMFQIUBYCFHCD-UHFFFAOYSA-N	-1	0	266.257	0.264	20	30		CCEDRM
N#CC1(CS(=O)(=O)[N-]C(=O)c2ccc([N+](=O)[O-])[nH]2)CC1	ZINC000793201596	837400107	/nfs/dbraw/zinc/40/01/07/837400107.db2.gz	NVQUXWVHAHEQIZ-UHFFFAOYSA-N	-1	0	298.280	0.286	20	30		CCEDRM
O=C(CCC(=O)N1CC[C@@H](O)[C@H](F)C1)C1=CC=C[CH]1	ZINC001184241182	844186448	/nfs/dbraw/zinc/18/64/48/844186448.db2.gz	MXLGMZKCGKFWLI-DGCLKSJQSA-N	-1	0	266.292	0.967	20	30		CCEDRM
C[C@@H]1C(=O)NCCN1C(=O)CCC(=O)C1=CC=C[CH]1	ZINC001184244244	844187352	/nfs/dbraw/zinc/18/73/52/844187352.db2.gz	RZZDVSSBNGAXKU-SNVBAGLBSA-N	-1	0	261.301	0.383	20	30		CCEDRM
O=C(CCC(=O)N1CCS(=O)(=O)CC1)C1=CC=C[CH]1	ZINC001184244127	844187748	/nfs/dbraw/zinc/18/77/48/844187748.db2.gz	GZGUHNATYOHBKW-UHFFFAOYSA-N	-1	0	282.341	0.293	20	30		CCEDRM
CN1C[C@@H](CNC(=O)CCC(=O)C2=CC=C[CH]2)CC1=O	ZINC001184246763	844188782	/nfs/dbraw/zinc/18/87/82/844188782.db2.gz	ZEIZDPIMMABQFD-LLVKDONJSA-N	-1	0	275.328	0.631	20	30		CCEDRM
Cc1nnc(CNC(=O)CCC(=O)C2=CC=C[CH]2)[nH]1	ZINC001184247515	844188835	/nfs/dbraw/zinc/18/88/35/844188835.db2.gz	RWXJLLHYAXQQGM-UHFFFAOYSA-N	-1	0	259.289	0.779	20	30		CCEDRM
Cc1n[nH]c(C(=O)N[C@@H](C)CCCCNCC#N)c1[O-]	ZINC001170193228	837252360	/nfs/dbraw/zinc/25/23/60/837252360.db2.gz	XUOHFGJBIJQOHG-VIFPVBQESA-N	-1	0	279.344	0.826	20	30		CCEDRM
Cn1c(=O)[n-]c(Oc2ccc(F)cc2)c(C#N)c1=O	ZINC001184608584	844268436	/nfs/dbraw/zinc/26/84/36/844268436.db2.gz	SRNLTCGVIYHYMW-UHFFFAOYSA-N	-1	0	261.212	0.877	20	30		CCEDRM
Cc1[nH]nc(C(=O)N2CC[C@@H](C)[C@H](CNCC#N)C2)c1[O-]	ZINC001132751726	838486267	/nfs/dbraw/zinc/48/62/67/838486267.db2.gz	KNTVSNYJSCIYTN-MWLCHTKSSA-N	-1	0	291.355	0.635	20	30		CCEDRM
COc1cc(C#N)ccc1C(=O)NCc1nnn[n-]1	ZINC001136627533	839685016	/nfs/dbraw/zinc/68/50/16/839685016.db2.gz	NGPUZPKMOFGGLX-UHFFFAOYSA-N	-1	0	258.241	0.010	20	30		CCEDRM
N#Cc1nc(Cl)cnc1[N-]c1nccnc1CN	ZINC001160246624	839738820	/nfs/dbraw/zinc/73/88/20/839738820.db2.gz	WWIWRIAOMONKLI-UHFFFAOYSA-N	-1	0	261.676	0.994	20	30		CCEDRM
CO[C@@H]1CCC[C@H]1C(=O)Nc1nc(C#N)c(C#N)[n-]1	ZINC001143815082	839882877	/nfs/dbraw/zinc/88/28/77/839882877.db2.gz	MGRQAPYTIFSEDU-GMSGAONNSA-N	-1	0	259.269	0.907	20	30		CCEDRM
CCOC(=O)C1(C(=O)Nc2nc(C#N)c(C#N)[n-]2)CCC1	ZINC001143814556	839882948	/nfs/dbraw/zinc/88/29/48/839882948.db2.gz	GFBPOVOHUZFPMY-UHFFFAOYSA-N	-1	0	287.279	0.825	20	30		CCEDRM
N#Cc1cccc(O[N-]C(=O)Cn2ccc([N+](=O)[O-])n2)c1	ZINC001171255713	840218139	/nfs/dbraw/zinc/21/81/39/840218139.db2.gz	PCUBDHZVUPBHBW-UHFFFAOYSA-N	-1	0	287.235	0.773	20	30		CCEDRM
Cc1[nH]nc(C(=O)N2C[C@H]3CN(CC#N)C[C@@]3(C)C2)c1[O-]	ZINC001091600988	840380638	/nfs/dbraw/zinc/38/06/38/840380638.db2.gz	FEINEGOCYNHIIO-YGRLFVJLSA-N	-1	0	289.339	0.341	20	30		CCEDRM
COC(=O)c1scc(C#N)c1NC(=O)Cc1nnn[n-]1	ZINC001176837877	842424138	/nfs/dbraw/zinc/42/41/38/842424138.db2.gz	LNNSEGRWPREQRS-UHFFFAOYSA-N	-1	0	292.280	0.101	20	30		CCEDRM
N#CCCN(Cc1cccnc1)C(=O)Cc1nnn[n-]1	ZINC001176840928	842428728	/nfs/dbraw/zinc/42/87/28/842428728.db2.gz	YGZBUFHPGMMUHC-UHFFFAOYSA-N	-1	0	271.284	0.080	20	30		CCEDRM
N#Cc1cc(CC(=O)NCS(=O)(=O)[O-])ccc1F	ZINC001181195469	843422201	/nfs/dbraw/zinc/42/22/01/843422201.db2.gz	HZTZQDSYTVUFIE-UHFFFAOYSA-N	-1	0	272.257	0.201	20	30		CCEDRM
N#Cc1ccccc1CC(=O)NCC(=O)CCC(=O)[O-]	ZINC001181805422	843619738	/nfs/dbraw/zinc/61/97/38/843619738.db2.gz	JNLPPMWAOHJJRZ-UHFFFAOYSA-N	-1	0	274.276	0.651	20	30		CCEDRM
C#Cc1ccc(C(=O)N[C@@H](CCC(=O)[O-])C(=O)OC)cc1	ZINC001188740200	844964740	/nfs/dbraw/zinc/96/47/40/844964740.db2.gz	YIURVFQDAUMXQW-LBPRGKRZSA-N	-1	0	289.287	0.804	20	30		CCEDRM
COc1ccc(C#N)c(C(=O)N[C@@H]2SC(=O)[N-]C2=O)c1	ZINC001189097068	845050356	/nfs/dbraw/zinc/05/03/56/845050356.db2.gz	PAGIYAAXBLSING-LLVKDONJSA-N	-1	0	291.288	0.606	20	30		CCEDRM
Cn1ncc([N-]S(=O)(=O)c2ncc(F)cc2F)c1C#N	ZINC001190142533	845329619	/nfs/dbraw/zinc/32/96/19/845329619.db2.gz	UUGKBMFWPWRUGC-UHFFFAOYSA-N	-1	0	299.262	0.766	20	30		CCEDRM
C=C[C@@H](CO)[N-]S(=O)(=O)c1cc(F)cc(F)c1F	ZINC001190410589	845401331	/nfs/dbraw/zinc/40/13/31/845401331.db2.gz	DIFDZUGPZUIHON-ZETCQYMHSA-N	-1	0	281.255	0.929	20	30		CCEDRM
N#Cc1cccc(OCCNS(=O)(=O)c2ncc[n-]2)c1	ZINC001190755773	845471177	/nfs/dbraw/zinc/47/11/77/845471177.db2.gz	ZWBJJLLWEHZMOR-UHFFFAOYSA-N	-1	0	292.320	0.639	20	30		CCEDRM
N#Cc1coc(CNS(=O)(=O)c2ncc[n-]2)c1	ZINC001190758711	845474487	/nfs/dbraw/zinc/47/44/87/845474487.db2.gz	ZZYVFRZQURNMAC-UHFFFAOYSA-N	-1	0	252.255	0.353	20	30		CCEDRM
Cc1ncc(C(=O)NC2C(=O)N=CN=C2[O-])cc1C#N	ZINC001192285951	845817252	/nfs/dbraw/zinc/81/72/52/845817252.db2.gz	CXQDDHJKSYYJGP-UHFFFAOYSA-N	-1	0	271.236	0.715	20	30		CCEDRM
COC(=O)/C=C/c1ccc([N-]S(=O)(=O)CC#N)nc1	ZINC001192952125	845934680	/nfs/dbraw/zinc/93/46/80/845934680.db2.gz	XNJHZXQGVDNOFQ-HWKANZROSA-N	-1	0	281.293	0.533	20	30		CCEDRM
N#CCS(=O)(=O)[N-]c1cc(Cl)cnc1C(N)=O	ZINC001192938137	845941612	/nfs/dbraw/zinc/94/16/12/845941612.db2.gz	ABYOVGREYAWFMU-UHFFFAOYSA-N	-1	0	274.689	0.099	20	30		CCEDRM
CC(=O)COC(=O)c1ccccc1[N-]S(=O)(=O)CC#N	ZINC001192981148	845943515	/nfs/dbraw/zinc/94/35/15/845943515.db2.gz	XUXFFWKRYFGODP-UHFFFAOYSA-N	-1	0	296.304	0.698	20	30		CCEDRM
CC(=O)N1CCc2c1cccc2[N-]S(=O)(=O)CC#N	ZINC001192985341	845944721	/nfs/dbraw/zinc/94/47/21/845944721.db2.gz	AKMROZUVSOPSTA-UHFFFAOYSA-N	-1	0	279.321	0.861	20	30		CCEDRM
N#CCS(=O)(=O)[N-]c1c(F)cccc1N1CCOCC1	ZINC001192986300	845945204	/nfs/dbraw/zinc/94/52/04/845945204.db2.gz	WLBSZRCLAAHIEJ-UHFFFAOYSA-N	-1	0	299.327	0.928	20	30		CCEDRM
COC(=O)[C@H](CCC(=O)[O-])NC(=O)c1cnccc1C#N	ZINC001192979734	845961309	/nfs/dbraw/zinc/96/13/09/845961309.db2.gz	QKYYZHLQYKDVNO-JTQLQIEISA-N	-1	0	291.263	0.089	20	30		CCEDRM
CCOC(=O)c1ccncc1[N-]S(=O)(=O)[C@H](C)C#N	ZINC001193104023	845978327	/nfs/dbraw/zinc/97/83/27/845978327.db2.gz	CWKPDUUQCHECGS-MRVPVSSYSA-N	-1	0	283.309	0.912	20	30		CCEDRM
CC(=O)Nc1cncc([N-]S(=O)(=O)[C@H](C)C#N)c1	ZINC001193111459	845980505	/nfs/dbraw/zinc/98/05/05/845980505.db2.gz	IAUYDZJSIHBEQH-SSDOTTSWSA-N	-1	0	268.298	0.694	20	30		CCEDRM
C[C@H](C#N)S(=O)(=O)[N-]c1cn(CC2CC2)cn1	ZINC001193112459	845981202	/nfs/dbraw/zinc/98/12/02/845981202.db2.gz	UDCDVHNBYJJYRI-MRVPVSSYSA-N	-1	0	254.315	0.947	20	30		CCEDRM
C[C@@H](C#N)S(=O)(=O)[N-]c1ccc2nc[nH]c(=O)c2c1	ZINC001193145992	846004575	/nfs/dbraw/zinc/00/45/75/846004575.db2.gz	DWZMOZMLDXMMSF-ZETCQYMHSA-N	-1	0	278.293	0.989	20	30		CCEDRM
C[C@H](C#N)S(=O)(=O)[N-]C1(C(F)(F)F)COC1	ZINC001193195385	846014845	/nfs/dbraw/zinc/01/48/45/846014845.db2.gz	ZZZDHKGSIVXSRH-RXMQYKEDSA-N	-1	0	258.221	0.149	20	30		CCEDRM
C#Cc1cnc(NC(=O)c2cc(=O)[nH][n-]2)c(C#C)n1	ZINC001193460660	846080272	/nfs/dbraw/zinc/08/02/72/846080272.db2.gz	FFQKDQUJNIMFAP-UHFFFAOYSA-N	-1	0	253.221	0.120	20	30		CCEDRM
CCOc1cc(N)n(C(=O)c2ccc([O-])c(C#N)c2)c(=N)n1	ZINC001193498974	846093238	/nfs/dbraw/zinc/09/32/38/846093238.db2.gz	ODPLKTANHAYKCH-UHFFFAOYSA-N	-1	0	299.290	0.609	20	30		CCEDRM
N#Cc1cc(C(=O)N2CCOC[C@H]2C#N)ccc1[O-]	ZINC001193504465	846100985	/nfs/dbraw/zinc/10/09/85/846100985.db2.gz	RYSZJKQPMIPYPH-LLVKDONJSA-N	-1	0	257.249	0.628	20	30		CCEDRM
CN1CCOC[C@@H]1CNC(=O)c1ccc([O-])c(C#N)c1	ZINC001193514633	846102826	/nfs/dbraw/zinc/10/28/26/846102826.db2.gz	FXVROVQJPZVBJE-LBPRGKRZSA-N	-1	0	275.308	0.324	20	30		CCEDRM
Cc1[nH][nH]c2ncnc(=NC(=O)c3cccc(C#N)c3[O-])c1-2	ZINC001193634686	846131874	/nfs/dbraw/zinc/13/18/74/846131874.db2.gz	GKTHNRMDXFOVHZ-UHFFFAOYSA-N	-1	0	294.274	0.864	20	30		CCEDRM
Cc1cc(N(C(=N)N)C(=O)c2cccc(C#N)c2[O-])n[nH]1	ZINC001193660642	846140429	/nfs/dbraw/zinc/14/04/29/846140429.db2.gz	ZUABNBTVUZYQDK-UHFFFAOYSA-N	-1	0	284.279	0.836	20	30		CCEDRM
Cn1cc([N-]S(=O)(=O)c2ccccc2N)c(C#N)n1	ZINC001193896455	846178915	/nfs/dbraw/zinc/17/89/15/846178915.db2.gz	YSXOXRGQRCPZTJ-UHFFFAOYSA-N	-1	0	277.309	0.675	20	30		CCEDRM
N#Cc1ccnnc1[N-]S(=O)(=O)C1CCC(=O)CC1	ZINC001194764181	846391146	/nfs/dbraw/zinc/39/11/46/846391146.db2.gz	OTMFREREFXXECI-UHFFFAOYSA-N	-1	0	280.309	0.602	20	30		CCEDRM
Cn1ccnc1CNC(=O)c1ccc(C#N)cc1[O-]	ZINC001195733879	846604823	/nfs/dbraw/zinc/60/48/23/846604823.db2.gz	XTZIUDZGDAXPNH-UHFFFAOYSA-N	-1	0	256.265	0.927	20	30		CCEDRM
N#Cc1ccc(C(=O)N2CCO[C@@H](C#N)C2)c([O-])c1	ZINC001195750351	846620962	/nfs/dbraw/zinc/62/09/62/846620962.db2.gz	INVMEEIJYQEQAP-JTQLQIEISA-N	-1	0	257.249	0.628	20	30		CCEDRM
C#Cc1nccnc1[N-]S(=O)(=O)c1cnc(C)n1C	ZINC001198354006	847102229	/nfs/dbraw/zinc/10/22/29/847102229.db2.gz	HOKHOZLBDHALES-UHFFFAOYSA-N	-1	0	277.309	0.301	20	30		CCEDRM
Cc1ncc(S(=O)(=O)[N-]c2ccnc(C#N)c2)n1C	ZINC001198354130	847102288	/nfs/dbraw/zinc/10/22/88/847102288.db2.gz	ODPCPAXFCZFYAC-UHFFFAOYSA-N	-1	0	277.309	0.218	20	30		CCEDRM
C=CC[C@@H]([N-]S(=O)(=O)CC(F)(F)F)C(=O)OC	ZINC001253229679	848162995	/nfs/dbraw/zinc/16/29/95/848162995.db2.gz	VORFODDERXYWCF-ZCFIWIBFSA-N	-1	0	275.248	0.586	20	30		CCEDRM
C=C[C@@H](CO)NS(=O)(=O)c1ccc(C(=O)[O-])cc1	ZINC000717427878	848370444	/nfs/dbraw/zinc/37/04/44/848370444.db2.gz	XQMHQNRUJFZWGS-VIFPVBQESA-N	-1	0	271.294	0.210	20	30		CCEDRM
O=S(=O)(NCC#CCO)c1cccnc1Cl	ZINC000718126897	848578312	/nfs/dbraw/zinc/57/83/12/848578312.db2.gz	QOGMJGGGFILTCG-UHFFFAOYSA-N	-1	0	260.702	0.009	20	30		CCEDRM
Cn1cnc(C#N)c1[N-]S(=O)(=O)c1ccc(C#N)cc1	ZINC001258045696	849127804	/nfs/dbraw/zinc/12/78/04/849127804.db2.gz	VFTAJZBELMZROC-UHFFFAOYSA-N	-1	0	287.304	0.964	20	30		CCEDRM
C#CCN(C1CCCC1)S(=O)(=O)c1ncc[n-]1	ZINC000688850719	849197973	/nfs/dbraw/zinc/19/79/73/849197973.db2.gz	WHWHYOCVIOXPIQ-UHFFFAOYSA-N	-1	0	253.327	0.976	20	30		CCEDRM
C#CCN1CCN(C(=O)c2cc(C(=O)[O-])oc2C)CC1	ZINC000689083668	849220972	/nfs/dbraw/zinc/22/09/72/849220972.db2.gz	WUBPVAYLPYAYDM-UHFFFAOYSA-N	-1	0	276.292	0.677	20	30		CCEDRM
C[C@@H](C(=O)[O-])N(C)S(=O)(=O)c1cc(F)cc(C#N)c1	ZINC000718533403	849266713	/nfs/dbraw/zinc/26/67/13/849266713.db2.gz	PEHTWMWTQQWWTR-ZETCQYMHSA-N	-1	0	286.284	0.791	20	30		CCEDRM
N#CCCN1CCN(C(=O)[C@H](C(=O)[O-])C2CCCC2)CC1	ZINC000902491176	851959372	/nfs/dbraw/zinc/95/93/72/851959372.db2.gz	XOWOPFFPPTUIMJ-CYBMUJFWSA-N	-1	0	293.367	0.935	20	30		CCEDRM
C#CC[C@H](NC(=O)c1cnc2c(c1)c(C)nn2C)C(=O)[O-]	ZINC000149626543	853990940	/nfs/dbraw/zinc/99/09/40/853990940.db2.gz	LPWRUHNACOSJMP-NSHDSACASA-N	-1	0	286.291	0.483	20	30		CCEDRM
C#CC[C@@H](NC(=O)c1cc(Cl)cn1C)C(=O)[O-]	ZINC000149728185	853997176	/nfs/dbraw/zinc/99/71/76/853997176.db2.gz	XKHIHMKAMLZIQR-MRVPVSSYSA-N	-1	0	254.673	0.885	20	30		CCEDRM
COC(=O)CCCc1n[n-]c(=NC(=O)NCCC#N)s1	ZINC000488454694	854511481	/nfs/dbraw/zinc/51/14/81/854511481.db2.gz	CZXYRHOELSMQCR-UHFFFAOYSA-N	-1	0	297.340	0.491	20	30		CCEDRM
CCN(CC)S(=O)(=O)[N-]C(=O)CC(C)(C)C#N	ZINC001116839742	855842958	/nfs/dbraw/zinc/84/29/58/855842958.db2.gz	WMYWIRYJNQVHTC-UHFFFAOYSA-N	-1	0	261.347	0.629	20	30		CCEDRM
CC(C)(C#N)CS(=O)(=O)[N-]C(=O)CCCCC(N)=O	ZINC001117640676	856032476	/nfs/dbraw/zinc/03/24/76/856032476.db2.gz	BLNQXHCAKKLZPR-UHFFFAOYSA-N	-1	0	289.357	0.028	20	30		CCEDRM
C=C(C)C[C@H](NC(=O)c1ccc(=O)[nH]n1)C(=O)[O-]	ZINC001119638346	856797966	/nfs/dbraw/zinc/79/79/66/856797966.db2.gz	PNFRFFAISAOBQT-QMMMGPOBSA-N	-1	0	251.242	0.331	20	30		CCEDRM
C=C[C@@H](CC)CC(=O)N(C)C1CN(Cc2n[nH]c(=O)[n-]2)C1	ZINC001323970462	912605895	/nfs/dbraw/zinc/60/58/95/912605895.db2.gz	UXIBXDROPRDCQT-JTQLQIEISA-N	-1	0	293.371	0.755	20	30		CCEDRM
C#CCCN(CC(F)(F)F)C(=O)c1n[nH]c(=O)[n-]c1=O	ZINC001324006147	912623032	/nfs/dbraw/zinc/62/30/32/912623032.db2.gz	FEGGPHPFQPCNQT-UHFFFAOYSA-N	-1	0	290.201	0.311	20	30		CCEDRM
Cc1nn(CCO)c(C)c1C=NNc1nnc(C)c(=O)[n-]1	ZINC001324231669	912729077	/nfs/dbraw/zinc/72/90/77/912729077.db2.gz	WUWVJDVXTGZBSD-UHFFFAOYSA-N	-1	0	291.315	0.137	20	30		CCEDRM
Cc1nnc([S-])n(N=Cc2ccccc2C(N)=O)c1=O	ZINC001324462302	912857075	/nfs/dbraw/zinc/85/70/75/912857075.db2.gz	KNAOOOCSMOFCCA-UHFFFAOYSA-N	-1	0	289.320	0.217	20	30		CCEDRM
COC(=O)c1cccc(C=Nn2c(=O)[n-][nH]c2=O)c1	ZINC001324882020	913080499	/nfs/dbraw/zinc/08/04/99/913080499.db2.gz	DEGZTTXVJFATPP-UHFFFAOYSA-N	-1	0	262.225	0.358	20	30		CCEDRM
C=CC[C@H](NC(=O)c1ccc(C(=O)NC)nc1)C(=O)[O-]	ZINC001325144778	913240825	/nfs/dbraw/zinc/24/08/25/913240825.db2.gz	VCXDKYGEXHYSCC-JTQLQIEISA-N	-1	0	277.280	0.200	20	30		CCEDRM
Cc1[nH]nc(C(=O)N2C[C@H](C)[C@@H](CNCC#N)C2)c1[O-]	ZINC001325504150	913440594	/nfs/dbraw/zinc/44/05/94/913440594.db2.gz	BFQQABLLLMHQDI-WPRPVWTQSA-N	-1	0	277.328	0.245	20	30		CCEDRM
N#Cc1ccc(F)c(C(=O)NCCc2nc(=O)o[n-]2)c1	ZINC001362471209	893573435	/nfs/dbraw/zinc/57/34/35/893573435.db2.gz	BIMLBLJNKIFCNH-UHFFFAOYSA-N	-1	0	276.227	0.346	20	30		CCEDRM
C#CC[C@H](NC(=O)c1cccc([N+](=O)[O-])c1[O-])C(=O)OC	ZINC001299179144	894139884	/nfs/dbraw/zinc/13/98/84/894139884.db2.gz	SWGNLSQYTUQRKE-VIFPVBQESA-N	-1	0	292.247	0.595	20	30		CCEDRM
C=CCNC(=O)Cc1noc(C(=O)[N-]c2cc(C)on2)n1	ZINC001326488682	913984332	/nfs/dbraw/zinc/98/43/32/913984332.db2.gz	AKYFIDGWZDQHJE-UHFFFAOYSA-N	-1	0	291.267	0.463	20	30		CCEDRM
C=CCOC[C@H](CS(=O)(=O)[O-])O[C@H](C)C(C)=O	ZINC001205239835	897719108	/nfs/dbraw/zinc/71/91/08/897719108.db2.gz	FUOLOTQFUOOJHS-NXEZZACHSA-N	-1	0	266.315	0.440	20	30		CCEDRM
CCOC(=O)c1nc(C)oc1[N-]S(=O)(=O)[C@H](C)C#N	ZINC001193106896	900031583	/nfs/dbraw/zinc/03/15/83/900031583.db2.gz	KNTHFCQALMWSHL-ZCFIWIBFSA-N	-1	0	287.297	0.814	20	30		CCEDRM
COc1ncnc([N-]S(=O)(=O)[C@H](C)C#N)c1C#N	ZINC001193110755	900033731	/nfs/dbraw/zinc/03/37/31/900033731.db2.gz	BTDBFIJUYKGWJM-ZCFIWIBFSA-N	-1	0	267.270	0.011	20	30		CCEDRM
C[C@H](C#N)CN(C(=O)CCCn1c(=O)[n-][nH]c1=O)C1CC1	ZINC001411973938	901368197	/nfs/dbraw/zinc/36/81/97/901368197.db2.gz	IMDWABXUISIVLJ-SECBINFHSA-N	-1	0	293.327	0.620	20	30		CCEDRM
Cc1cc(C#N)c(=O)[n-]c1C(=O)NCc1ccn(C)n1	ZINC001411987287	901375074	/nfs/dbraw/zinc/37/50/74/901375074.db2.gz	ORIXSHYFXIPVLP-UHFFFAOYSA-N	-1	0	271.280	0.631	20	30		CCEDRM
N#Cc1ccc(CNC(=O)c2n[nH]c(=O)[n-]c2=O)cc1F	ZINC001412232750	901583542	/nfs/dbraw/zinc/58/35/42/901583542.db2.gz	GVBAKPABHSKSTF-UHFFFAOYSA-N	-1	0	289.226	0.224	20	30		CCEDRM
N#Cc1ccc(CCNC(=O)c2n[nH]c(=O)[n-]c2=O)cc1	ZINC001412331841	901648331	/nfs/dbraw/zinc/64/83/31/901648331.db2.gz	GPPHTMYAORPALN-UHFFFAOYSA-N	-1	0	285.263	0.127	20	30		CCEDRM
C=CCn1cc(C(=O)N2CC[C@H](OC)C[C@H]2C(=O)[O-])nn1	ZINC001327496200	914572728	/nfs/dbraw/zinc/57/27/28/914572728.db2.gz	PRNLCPLPFGLXDA-ONGXEEELSA-N	-1	0	294.311	0.168	20	30		CCEDRM
Cc1cc(C#N)c(=O)[n-]c1C(=O)N[C@H](C)C(=O)NC(C)C	ZINC001413109544	902713617	/nfs/dbraw/zinc/71/36/17/902713617.db2.gz	SJIRTEWTWUOQRX-SECBINFHSA-N	-1	0	290.323	0.610	20	30		CCEDRM
CCC(=O)N1CCN(C(=O)c2[n-]c(=O)c(C#N)cc2C)C1	ZINC001413136315	902726289	/nfs/dbraw/zinc/72/62/89/902726289.db2.gz	AKJGGQTXFXDEEC-UHFFFAOYSA-N	-1	0	288.307	0.619	20	30		CCEDRM
Cc1cc(=O)c([N+](=O)[O-])c(O[C@H]2CCN(CC#N)C2)[n-]1	ZINC001231265180	903935306	/nfs/dbraw/zinc/93/53/06/903935306.db2.gz	ZSVUYIMORNMZNQ-VIFPVBQESA-N	-1	0	278.268	0.981	20	30		CCEDRM
Cn1c(=O)[n-]c(N[C@@H]2CCC[C@@H]3C[C@@H]32)c(C#N)c1=O	ZINC001337191653	921212961	/nfs/dbraw/zinc/21/29/61/921212961.db2.gz	KAPZGVOXAIHTQW-KHQFGBGNSA-N	-1	0	260.297	0.546	20	30		CCEDRM
N#CC[C@H](NC(=O)c1c[n-]ncc1=O)C(F)(F)F	ZINC001337437538	921250549	/nfs/dbraw/zinc/25/05/49/921250549.db2.gz	YDZIIOQEPWETSD-ZETCQYMHSA-N	-1	0	260.175	0.757	20	30		CCEDRM
COC[C@@](C)(C#N)NC(=O)c1cccc([N+](=O)[O-])c1[O-]	ZINC001294683998	906616028	/nfs/dbraw/zinc/61/60/28/906616028.db2.gz	BKVAGNNYVWISRR-GFCCVEGCSA-N	-1	0	279.252	0.959	20	30		CCEDRM
N#Cc1ccc([O-])c(NC(=O)c2ccn3nnnc3c2)c1	ZINC001295827614	906811665	/nfs/dbraw/zinc/81/16/65/906811665.db2.gz	GLZZAXACSGMGPN-UHFFFAOYSA-N	-1	0	280.247	0.954	20	30		CCEDRM
N#Cc1ccnc(SCc2cc(=O)n3[n-]c(N)nc3n2)c1	ZINC001337922553	921303487	/nfs/dbraw/zinc/30/34/87/921303487.db2.gz	YHTMVMLUPAWYMO-UHFFFAOYSA-N	-1	0	299.319	0.559	20	30		CCEDRM
Cc1n[nH]c(C(=O)N[C@@H](C)CN(C)C(=O)[C@@H](C)C#N)c1[O-]	ZINC001382199091	907615383	/nfs/dbraw/zinc/61/53/83/907615383.db2.gz	PQCLYXJYQHXOMX-YUMQZZPRSA-N	-1	0	293.327	0.160	20	30		CCEDRM
C=CCC1(C(=O)NCCN(C)Cc2n[nH]c(=O)[n-]2)CCC1	ZINC001492399402	907905675	/nfs/dbraw/zinc/90/56/75/907905675.db2.gz	HAVSXFQGFPGZOF-UHFFFAOYSA-N	-1	0	293.371	0.805	20	30		CCEDRM
N#Cc1c[n-]n2c1nc(CN1CC=C[C@@H]1CO)cc2=O	ZINC001308031500	908366835	/nfs/dbraw/zinc/36/68/35/908366835.db2.gz	IOZWRAOKDRULBV-LLVKDONJSA-N	-1	0	271.280	0.039	20	30		CCEDRM
C=C[C@@](C)(CC)C(=O)NCC=CCNCc1n[nH]c(=O)[n-]1	ZINC001321229910	911176201	/nfs/dbraw/zinc/17/62/01/911176201.db2.gz	APAXRKISCDYUJP-AFNCTOJWSA-N	-1	0	293.371	0.875	20	30		CCEDRM
C=CC[C@@H](NC(=O)CNC(=O)CC(C)(C)C)C(=O)[O-]	ZINC001321657113	911426831	/nfs/dbraw/zinc/42/68/31/911426831.db2.gz	DHEWATRZOJDUMC-SECBINFHSA-N	-1	0	270.329	0.684	20	30		CCEDRM
C=CC[C@@H](NC(=O)C1(C(=O)NC2CC2)CCC1)C(=O)[O-]	ZINC001322598812	911877679	/nfs/dbraw/zinc/87/76/79/911877679.db2.gz	GDCKSQYROOIDKB-SNVBAGLBSA-N	-1	0	280.324	0.581	20	30		CCEDRM
Cc1n[nH]c(C(=O)NCC[C@H](C)NCC#N)c1[O-]	ZINC001328328793	915113297	/nfs/dbraw/zinc/11/32/97/915113297.db2.gz	PZXONKGADZYDTM-ZETCQYMHSA-N	-1	0	251.290	0.045	20	30		CCEDRM
C=CC[C@H](NC(=O)[C@H](O)c1cccnc1)C(=O)[O-]	ZINC001339523983	921748310	/nfs/dbraw/zinc/74/83/10/921748310.db2.gz	NXFCVQMXJLMWOE-VHSXEESVSA-N	-1	0	250.254	0.261	20	30		CCEDRM
C=CC[C@@H](NC(=O)c1cc2n(n1)CCCC2)C(=O)[O-]	ZINC001339524025	921748383	/nfs/dbraw/zinc/74/83/83/921748383.db2.gz	ONKKNELKZHUKDX-SNVBAGLBSA-N	-1	0	263.297	0.979	20	30		CCEDRM
C=CCOCCN1CCN([C@]2(C(=O)[O-])CCOC2)CC1	ZINC001329208933	915745378	/nfs/dbraw/zinc/74/53/78/915745378.db2.gz	XKLFGBQLTCQVBH-CQSZACIVSA-N	-1	0	284.356	0.050	20	30		CCEDRM
C=C[C@@H](C)O[N-]C(=O)C(=O)Nc1cccn(CC)c1=O	ZINC001329676230	916119326	/nfs/dbraw/zinc/11/93/26/916119326.db2.gz	VUFMQLARDLBWLW-SECBINFHSA-N	-1	0	279.296	0.429	20	30		CCEDRM
C=C[C@H](O)C(=O)N(C)Cc1cc(C(=O)[O-])c(C)o1	ZINC001332132413	917888800	/nfs/dbraw/zinc/88/88/00/917888800.db2.gz	PTVYGOGJUGTMTN-JTQLQIEISA-N	-1	0	253.254	0.792	20	30		CCEDRM
C=CC[C@@H](NC(=O)[C@H](C)CC(=O)[O-])C(=O)OCC	ZINC001588742836	984034872	/nfs/dbraw/zinc/03/48/72/984034872.db2.gz	LJOADTLWIVLXRW-RKDXNWHRSA-N	-1	0	257.286	0.721	20	30		CCEDRM
N#CC1(CS(=O)(=O)[N-]C(=O)C2(C3CC3)CC2)CC1	ZINC001332571510	918284118	/nfs/dbraw/zinc/28/41/18/918284118.db2.gz	AZXLFOGXVDPTGO-UHFFFAOYSA-N	-1	0	268.338	0.926	20	30		CCEDRM
C#CC[C@@H](NC(=O)c1cc([C@@H]2CCCN2C)n[nH]1)C(=O)[O-]	ZINC001332625715	918324244	/nfs/dbraw/zinc/32/42/44/918324244.db2.gz	YXRIIBOCLKFJAL-SKDRFNHKSA-N	-1	0	290.323	0.383	20	30		CCEDRM
C=CCN(CC(=O)[O-])C(=O)CCN1CC[NH+](CC)CC1	ZINC001333332126	918808090	/nfs/dbraw/zinc/80/80/90/918808090.db2.gz	QAFTXPKNEYKHFT-UHFFFAOYSA-N	-1	0	283.372	0.113	20	30		CCEDRM
C=CC[C@@H](NC(=O)COCc1ccc(OC)nc1)C(=O)[O-]	ZINC001334980157	919879008	/nfs/dbraw/zinc/87/90/08/919879008.db2.gz	DVMLQUXPPRSUJW-LLVKDONJSA-N	-1	0	294.307	0.752	20	30		CCEDRM
CCn1[n-]nnc1=NC(=O)NCc1ccc(C#N)s1	ZINC001414445494	920325841	/nfs/dbraw/zinc/32/58/41/920325841.db2.gz	CYUPXXDOAHHIOG-UHFFFAOYSA-N	-1	0	277.313	0.370	20	30		CCEDRM
C#CCO[N-]C(=O)c1cc2c([nH]c1=O)CCC[C@@H]2O	ZINC001336010159	920560787	/nfs/dbraw/zinc/56/07/87/920560787.db2.gz	BQDRITKPWYKEHX-NSHDSACASA-N	-1	0	262.265	0.452	20	30		CCEDRM
N#Cc1nc(NC(=O)c2cnn3c2NCCC3)[n-]c1C#N	ZINC001418238133	921954081	/nfs/dbraw/zinc/95/40/81/921954081.db2.gz	PSGXCSSRWJUKCP-UHFFFAOYSA-N	-1	0	282.267	0.417	20	30		CCEDRM
CC1(C)CC(NC(=O)CCn2cc(C#N)c(=O)[n-]c2=O)C1	ZINC001418529020	922222862	/nfs/dbraw/zinc/22/28/62/922222862.db2.gz	KLJNSMLUYWIYML-UHFFFAOYSA-N	-1	0	290.323	0.515	20	30		CCEDRM
C=C[C@H](CO)NC(=O)NC[C@H](CC(=O)[O-])CC(C)C	ZINC001341328709	922429146	/nfs/dbraw/zinc/42/91/46/922429146.db2.gz	XVTBYZDIHLUMKN-WDEREUQCSA-N	-1	0	272.345	0.970	20	30		CCEDRM
Cc1nnn(NC(=O)c2[n-]c(=O)c(C#N)cc2C)c1C	ZINC001419118652	922640902	/nfs/dbraw/zinc/64/09/02/922640902.db2.gz	PVDONHSKTGSWKA-UHFFFAOYSA-N	-1	0	272.268	0.560	20	30		CCEDRM
CCCC[C@@H](ON=C(C)C)C(=O)NCc1nc(=O)o[n-]1	ZINC001342423126	922954454	/nfs/dbraw/zinc/95/44/54/922954454.db2.gz	AZCRJYDJZSKDKT-SECBINFHSA-N	-1	0	284.316	0.950	20	30		CCEDRM
COc1ccc(CC(=O)C(C#N)=C([O-])c2nccn2C)nc1	ZINC001342893061	923126060	/nfs/dbraw/zinc/12/60/60/923126060.db2.gz	BFDIUANCGKQIQE-GFCCVEGCSA-N	-1	0	298.302	0.958	20	30		CCEDRM
C#CCN(CC(=O)[O-])C(=O)NCC(CC)(CC)OC	ZINC000382473624	951222816	/nfs/dbraw/zinc/22/28/16/951222816.db2.gz	CERFOZZRNAOMHZ-UHFFFAOYSA-N	-1	0	270.329	0.921	20	30		CCEDRM
CC[C@H](C)n1nccc1C([O-])=C(C#N)C(=O)NCCOC	ZINC001343582393	923380279	/nfs/dbraw/zinc/38/02/79/923380279.db2.gz	KKUISGBEMVOYGI-WDEREUQCSA-N	-1	0	292.339	0.939	20	30		CCEDRM
Cn1ccnc1C([O-])=C(C#N)C(=O)CO[C@H]1CCOC1	ZINC001344007529	923529465	/nfs/dbraw/zinc/52/94/65/923529465.db2.gz	ZOFZVHBEGOXGGF-VHSXEESVSA-N	-1	0	277.280	0.117	20	30		CCEDRM
Cn1ccnc1C([O-])=C(C#N)C(=O)CC1OCCO1	ZINC001344043093	923536933	/nfs/dbraw/zinc/53/69/33/923536933.db2.gz	GJLYRLCZAQQZOP-QMMMGPOBSA-N	-1	0	263.253	0.075	20	30		CCEDRM
C=CCOCCCC(=O)NC[C@@H](C(=O)[O-])[C@@H]1CCOC1	ZINC001345168852	923817917	/nfs/dbraw/zinc/81/79/17/923817917.db2.gz	FKDAOKPMEJOMLX-VXGBXAGGSA-N	-1	0	285.340	0.823	20	30		CCEDRM
N#CC1(C(=O)NC[C@@H](C(=O)[O-])[C@@H]2CCOC2)CCC1	ZINC001345171222	923822408	/nfs/dbraw/zinc/82/24/08/923822408.db2.gz	PFMVNNFTFYKXAR-NXEZZACHSA-N	-1	0	266.297	0.534	20	30		CCEDRM
C=CCNC(=O)C(C#N)=C([O-])c1cccc(C(=O)NC)n1	ZINC001346053788	924057430	/nfs/dbraw/zinc/05/74/30/924057430.db2.gz	HMEBEKZFEPYPQM-VIFPVBQESA-N	-1	0	286.291	0.066	20	30		CCEDRM
CNC(=O)C(C#N)=C([O-])c1csc(S(C)(=O)=O)c1	ZINC001346055233	924058591	/nfs/dbraw/zinc/05/85/91/924058591.db2.gz	XSULHJKXGZQBQK-ZETCQYMHSA-N	-1	0	286.334	0.220	20	30		CCEDRM
C=CCNC(=O)C(C#N)=C([O-])c1cc(CC)n(C)n1	ZINC001346064369	924062449	/nfs/dbraw/zinc/06/24/49/924062449.db2.gz	ANAIAPJPAITLMA-JTQLQIEISA-N	-1	0	260.297	0.607	20	30		CCEDRM
COc1cc(C([O-])=C(C#N)C(=O)N2CCCC2)ncn1	ZINC001346199067	924106938	/nfs/dbraw/zinc/10/69/38/924106938.db2.gz	MCZFCGYMMIMRAL-VIFPVBQESA-N	-1	0	274.280	0.430	20	30		CCEDRM
C=C[C@@H](C)O[N-]C(=O)C(=O)Nc1cnn(CCOC)c1	ZINC001346205874	924110401	/nfs/dbraw/zinc/11/04/01/924110401.db2.gz	ACRITUHHYSLQLP-SECBINFHSA-N	-1	0	282.300	0.090	20	30		CCEDRM
N#C[C@]1(NC(=O)c2c[n-]ncc2=O)CCSC1	ZINC001346788217	924311620	/nfs/dbraw/zinc/31/16/20/924311620.db2.gz	QBKNVMVWFKOQFT-SNVBAGLBSA-N	-1	0	250.283	0.311	20	30		CCEDRM
Cn1ccnc1C(=O)C(C#N)=C([O-])c1ccc(C#N)nc1	ZINC001347123412	924377224	/nfs/dbraw/zinc/37/72/24/924377224.db2.gz	LBPLESWMNNGHDJ-LLVKDONJSA-N	-1	0	279.259	0.892	20	30		CCEDRM
C#Cc1cncc(C(=O)N2CCC[C@H](Cc3nnn[n-]3)C2)c1	ZINC001347307291	924418276	/nfs/dbraw/zinc/41/82/76/924418276.db2.gz	RXUGUSJGDAGXSH-GFCCVEGCSA-N	-1	0	296.334	0.671	20	30		CCEDRM
N#CCCn1ccc(NC(=O)C(=O)[N-]OCCC2CC2)n1	ZINC001347679086	924510936	/nfs/dbraw/zinc/51/09/36/924510936.db2.gz	AOJYCORHHNKBKD-UHFFFAOYSA-N	-1	0	291.311	0.583	20	30		CCEDRM
Cn1c(=O)[n-]c(SCCC(C)(C)O)c(C#N)c1=O	ZINC001348236795	924626454	/nfs/dbraw/zinc/62/64/54/924626454.db2.gz	RBRIBQDDLJHSNN-UHFFFAOYSA-N	-1	0	269.326	0.198	20	30		CCEDRM
C=C(C)C[C@@H](NC(C)=O)C(=O)[N-]S(=O)(=O)C(C)(C)C	ZINC001350321213	925171056	/nfs/dbraw/zinc/17/10/56/925171056.db2.gz	HOUUYKQNHZWDJO-SNVBAGLBSA-N	-1	0	290.385	0.702	20	30		CCEDRM
C=CCC[C@@H](NC(=O)[C@H](c1cncn1C)N(C)C)C(=O)[O-]	ZINC001350768399	925274543	/nfs/dbraw/zinc/27/45/43/925274543.db2.gz	LYGWYFRPQWPCMS-PWSUYJOCSA-N	-1	0	294.355	0.558	20	30		CCEDRM
C=CCCn1cc(CN(CC(=O)[O-])C2CC2)nn1	ZINC001353898961	925959507	/nfs/dbraw/zinc/95/95/07/925959507.db2.gz	CXPOEUGPYUECMF-UHFFFAOYSA-N	-1	0	250.302	0.903	20	30		CCEDRM
C#CC[C@@H](CO)NC(=O)c1ccoc1CC(=O)[O-]	ZINC001354084393	926009259	/nfs/dbraw/zinc/00/92/59/926009259.db2.gz	XCUFKRLLGPHOOO-QMMMGPOBSA-N	-1	0	251.238	0.021	20	30		CCEDRM
COCCNC(=O)C(C#N)=C([O-])c1scnc1COC	ZINC001356085372	926342778	/nfs/dbraw/zinc/34/27/78/926342778.db2.gz	AKEGSKAKBGXVDS-MRVPVSSYSA-N	-1	0	297.336	0.375	20	30		CCEDRM
Cn1cnc(C([O-])=C(C#N)C(=O)NC2CCCC2)n1	ZINC001356089326	926342899	/nfs/dbraw/zinc/34/28/99/926342899.db2.gz	ZRPQHTGXUSETPT-SECBINFHSA-N	-1	0	261.285	0.196	20	30		CCEDRM
C#CCN(CC)c1nnc(-c2cc(=O)n(C)[n-]2)n1CC	ZINC001356525568	926396789	/nfs/dbraw/zinc/39/67/89/926396789.db2.gz	LUJQAWAPMKCMFU-UHFFFAOYSA-N	-1	0	274.328	0.864	20	30		CCEDRM
Cn1ccnc1C(=O)C(C#N)=C([O-])c1ccc(C(N)=O)o1	ZINC001357598442	926567262	/nfs/dbraw/zinc/56/72/62/926567262.db2.gz	HGRXJGFGXIZLJG-SSDOTTSWSA-N	-1	0	286.247	0.317	20	30		CCEDRM
Cc1ccncc1NC(=O)CCn1cc(C#N)c(=O)[n-]c1=O	ZINC001362100064	927614987	/nfs/dbraw/zinc/61/49/87/927614987.db2.gz	MAFQDPLWZZQVLL-UHFFFAOYSA-N	-1	0	299.290	0.553	20	30		CCEDRM
C[C@@H](CC#N)NC(=O)c1cccc(-n2[n-]nnc2=N)c1	ZINC001362146252	927663898	/nfs/dbraw/zinc/66/38/98/927663898.db2.gz	ZHJBRFCLSGAZFO-QMMMGPOBSA-N	-1	0	271.284	0.107	20	30		CCEDRM
Cc1cc(C#N)c(=O)[n-]c1C(=O)NCCC1(C)OCCO1	ZINC001362322109	927875943	/nfs/dbraw/zinc/87/59/43/927875943.db2.gz	BHECKBHLINKHRY-UHFFFAOYSA-N	-1	0	291.307	0.850	20	30		CCEDRM
Cc1cc(C#N)c(=O)[n-]c1C(=O)N(C)CC(C)(CO)CO	ZINC001362607587	928242780	/nfs/dbraw/zinc/24/27/80/928242780.db2.gz	VXZXQNACKOCULP-UHFFFAOYSA-N	-1	0	293.323	0.030	20	30		CCEDRM
Cc1cc(C#N)c(=O)[n-]c1C(=O)N[C@H]1CCN(C)C(=O)C1	ZINC001362663702	928322528	/nfs/dbraw/zinc/32/25/28/928322528.db2.gz	GMYICXIRGMNCCK-JTQLQIEISA-N	-1	0	288.307	0.318	20	30		CCEDRM
N#Cc1ccc2c(c1)CC[C@@H]2NC(=O)Cn1c(=O)[n-][nH]c1=O	ZINC001362768847	928465415	/nfs/dbraw/zinc/46/54/15/928465415.db2.gz	RLNUHMYXHNYBFA-NSHDSACASA-N	-1	0	299.290	0.365	20	30		CCEDRM
Cc1cc(C#N)c(=O)[n-]c1C(=O)N1CC[C@](O)(CC#N)C1	ZINC001362831741	928544310	/nfs/dbraw/zinc/54/43/10/928544310.db2.gz	SDZBEVQSVIGPER-CQSZACIVSA-N	-1	0	286.291	0.458	20	30		CCEDRM
CC(C)C[C@@H](C)C(=O)NCCn1cc(C#N)c(=O)[n-]c1=O	ZINC001363130304	928901886	/nfs/dbraw/zinc/90/18/86/928901886.db2.gz	VUYYHVUWBXUWFQ-SNVBAGLBSA-N	-1	0	292.339	0.619	20	30		CCEDRM
COc1ccc(NC(=O)Cn2c(=O)[n-][nH]c2=O)cc1C#N	ZINC001363639977	929441428	/nfs/dbraw/zinc/44/14/28/929441428.db2.gz	GCSVICDZIWWYFU-UHFFFAOYSA-N	-1	0	289.251	0.208	20	30		CCEDRM
Cc1nccc(CCC(=O)Nc2nc(C#N)c(C#N)[n-]2)n1	ZINC001363648975	929454703	/nfs/dbraw/zinc/45/47/03/929454703.db2.gz	ZFERUGRZEHTZGE-UHFFFAOYSA-N	-1	0	281.279	0.823	20	30		CCEDRM
Cc1cc(C#N)c(=O)[n-]c1C(=O)N(C[C@H](C)O)C1CC1	ZINC001363722011	929520104	/nfs/dbraw/zinc/52/01/04/929520104.db2.gz	XHNDIMIKESSVIC-VIFPVBQESA-N	-1	0	275.308	0.953	20	30		CCEDRM
N#CCC1(O)CN(C(=O)c2s[n-]c(=O)c2Cl)C1	ZINC001447924996	930757807	/nfs/dbraw/zinc/75/78/07/930757807.db2.gz	RVKYZTYDWALIMB-UHFFFAOYSA-N	-1	0	273.701	0.603	20	30		CCEDRM
Cc1nnc([C@H](C)NC(=O)c2[n-]c(=O)c(C#N)cc2C)[nH]1	ZINC001449099551	931069371	/nfs/dbraw/zinc/06/93/71/931069371.db2.gz	BPHHUOWMKUEETL-ZETCQYMHSA-N	-1	0	286.295	0.885	20	30		CCEDRM
Cc1cc(NC(=O)C(=O)NCCCC(=O)[O-])ncc1C#N	ZINC001600248144	970782546	/nfs/dbraw/zinc/78/25/46/970782546.db2.gz	VSQGJPBXICXBIH-UHFFFAOYSA-N	-1	0	290.279	0.181	20	30		CCEDRM
COc1ccnc(N=NCc2cccn2CC(=O)[O-])n1	ZINC001611074811	970880741	/nfs/dbraw/zinc/88/07/41/970880741.db2.gz	NWPGJIKBJPCRLC-UHFFFAOYSA-N	-1	0	275.268	0.817	20	30		CCEDRM
CS(=O)(=O)[C@H]1CCCC(=NNCCC(=O)[O-])C1	ZINC001611074817	970881282	/nfs/dbraw/zinc/88/12/82/970881282.db2.gz	OFLNDQMOZRQHAR-VIFPVBQESA-N	-1	0	262.331	0.394	20	30		CCEDRM
Cc1ccc(CNC(=O)[C@@](C)(C#N)CC(=O)[O-])c(=O)n1C	ZINC001611177494	970925100	/nfs/dbraw/zinc/92/51/00/970925100.db2.gz	YLFOPDJDVYVGOL-CQSZACIVSA-N	-1	0	291.307	0.315	20	30		CCEDRM
C#C[C@@H](NC(=O)[C@@H]1CC[C@H]1C(=O)[O-])[C@@H]1CCCO1	ZINC001602673582	971240537	/nfs/dbraw/zinc/24/05/37/971240537.db2.gz	WMUOVFDOIYSNHZ-DBIOUOCHSA-N	-1	0	251.282	0.394	20	30		CCEDRM
C#CC1CCN(C(=O)[C@@H]2CCCN(CC(=O)[O-])C2=O)CC1	ZINC001602674883	971243460	/nfs/dbraw/zinc/24/34/60/971243460.db2.gz	DLABXPVPXQAXKT-LBPRGKRZSA-N	-1	0	292.335	0.181	20	30		CCEDRM
C#CC[C@H](COC)OC(=O)C1(CC(=O)[O-])CCOCC1	ZINC001602675552	971250962	/nfs/dbraw/zinc/25/09/62/971250962.db2.gz	ZRYLZIGZSOEUJH-LLVKDONJSA-N	-1	0	284.308	0.839	20	30		CCEDRM
C#CCN(CC(=O)[O-])C(=O)C(=O)Nc1ccc(F)cc1F	ZINC001602679159	971258137	/nfs/dbraw/zinc/25/81/37/971258137.db2.gz	KRZGGEVMQKQQHF-UHFFFAOYSA-N	-1	0	296.229	0.450	20	30		CCEDRM
C#CCN(CC(=O)[O-])C(=O)[C@H](C)Oc1cccnc1	ZINC001602679567	971261166	/nfs/dbraw/zinc/26/11/66/971261166.db2.gz	TVCNQJKKGWMPGW-JTQLQIEISA-N	-1	0	262.265	0.395	20	30		CCEDRM
C#CCN(CC(=O)[O-])C(=O)Cc1csc(CC)n1	ZINC001602684078	971278951	/nfs/dbraw/zinc/27/89/51/971278951.db2.gz	PRUABMZDJAFIMY-UHFFFAOYSA-N	-1	0	266.322	0.794	20	30		CCEDRM
C#CCN(CC(=O)[O-])C(=O)NC[C@@H]1CCOC(C)(C)C1	ZINC001602685858	971283086	/nfs/dbraw/zinc/28/30/86/971283086.db2.gz	IIRSOFGXNWRVQI-LLVKDONJSA-N	-1	0	282.340	0.921	20	30		CCEDRM
C#CCN(CC(=O)[O-])C(=O)c1ccc(C(N)=S)cc1	ZINC001602691647	971297971	/nfs/dbraw/zinc/29/79/71/971297971.db2.gz	QSCRIGGGRCFREB-UHFFFAOYSA-N	-1	0	276.317	0.481	20	30		CCEDRM
C#CCN(CC(=O)[O-])C(=O)c1ccc2[nH]c(=O)n(C)c2c1	ZINC001602692054	971299888	/nfs/dbraw/zinc/29/98/88/971299888.db2.gz	CNANVVZBNSKJDF-UHFFFAOYSA-N	-1	0	287.275	0.439	20	30		CCEDRM
C#CCN(CC(=O)[O-])C(=O)c1cn(C2CC2)c(C)cc1=O	ZINC001602692243	971300679	/nfs/dbraw/zinc/30/06/79/971300679.db2.gz	HNOGPGALWDSNOG-UHFFFAOYSA-N	-1	0	288.303	0.652	20	30		CCEDRM
C#CCN(CC(=O)[O-])S(=O)(=O)CCOCC1CCC1	ZINC001602699154	971315678	/nfs/dbraw/zinc/31/56/78/971315678.db2.gz	LKQNQKPTJPPHEV-UHFFFAOYSA-N	-1	0	289.353	0.153	20	30		CCEDRM
C#CCN1CCC[C@H]1C(=O)N[C@H]1CCC[C@H]1C(=O)[O-]	ZINC001602702878	971332185	/nfs/dbraw/zinc/33/21/85/971332185.db2.gz	VDSGCWGDQHKXOO-WOPDTQHZSA-N	-1	0	264.325	0.454	20	30		CCEDRM
C#CCn1cc(CNC(=O)C2(C(=O)[O-])CC=CC2)cn1	ZINC001602704342	971334370	/nfs/dbraw/zinc/33/43/70/971334370.db2.gz	FKBZTWLEILDUBT-UHFFFAOYSA-N	-1	0	273.292	0.554	20	30		CCEDRM
C#Cc1ccc(S(=O)(=O)N[C@H]2C[C@H](C(=O)[O-])C2)cc1	ZINC001602707069	971341440	/nfs/dbraw/zinc/34/14/40/971341440.db2.gz	IMDISMZCZCKBFC-XYPYZODXSA-N	-1	0	279.317	0.809	20	30		CCEDRM
C#Cc1ccc(S(=O)(=O)N[C@H]2C[C@@H](C(=O)[O-])C2)cc1	ZINC001602707066	971341812	/nfs/dbraw/zinc/34/18/12/971341812.db2.gz	IMDISMZCZCKBFC-PHIMTYICSA-N	-1	0	279.317	0.809	20	30		CCEDRM
C=C(C)[C@@H]1OCC[C@H]1CNC(=O)[C@]1(C(=O)[O-])CCCO1	ZINC001602707441	971344785	/nfs/dbraw/zinc/34/47/85/971344785.db2.gz	VVNYNFHLCUAIEE-MJVIPROJSA-N	-1	0	283.324	0.718	20	30		CCEDRM
C=CCC[C@@H]1NC(=O)N([C@H]2C[C@H](C(=O)[O-])C2)C1=O	ZINC001602719092	971381616	/nfs/dbraw/zinc/38/16/16/971381616.db2.gz	PCHIVYDYLNTWJC-CIUDSAMLSA-N	-1	0	252.270	0.736	20	30		CCEDRM
C=CCN1CC[C@H](OC(=O)[C@H]2CC[C@@H](C(=O)[O-])C2)C1=O	ZINC001602723181	971394193	/nfs/dbraw/zinc/39/41/93/971394193.db2.gz	RTQNSQZTNPPFPZ-VWYCJHECSA-N	-1	0	281.308	0.817	20	30		CCEDRM
C=CCn1c(C)nnc1N1CC[C@](COC)(C(=O)[O-])C1	ZINC001602729821	971401840	/nfs/dbraw/zinc/40/18/40/971401840.db2.gz	HTKINPJQTZXRLH-ZDUSSCGKSA-N	-1	0	280.328	0.700	20	30		CCEDRM
C=CCn1cnnc1S[C@H]1CCN(CC(=O)[O-])C1=O	ZINC001602730870	971409003	/nfs/dbraw/zinc/40/90/03/971409003.db2.gz	HNTQOGZJRSOZDF-QMMMGPOBSA-N	-1	0	282.325	0.242	20	30		CCEDRM
CC#CC[C@@H](CO)NC(=O)C1(CC(=O)[O-])CCC1	ZINC001602735058	971416018	/nfs/dbraw/zinc/41/60/18/971416018.db2.gz	MHIPVMZSAZNBIY-JTQLQIEISA-N	-1	0	253.298	0.522	20	30		CCEDRM
CC#CC[C@H](CO)NC(=O)Nc1ccnc(C(=O)[O-])c1	ZINC001602735195	971417971	/nfs/dbraw/zinc/41/79/71/971417971.db2.gz	UXSUZAMPZFPLGQ-SNVBAGLBSA-N	-1	0	277.280	0.676	20	30		CCEDRM
Cc1nc(C(=O)Nc2cc(C(=O)[O-])n[nH]2)ccc1C#N	ZINC000080640367	949009437	/nfs/dbraw/zinc/00/94/37/949009437.db2.gz	ASFFHUWVIXWBFS-UHFFFAOYSA-N	-1	0	271.236	0.935	20	30		CCEDRM
C[C@H](C#N)N(C1CC1)[C@H]1CCN(CC(=O)[O-])C1=O	ZINC001602786083	971531436	/nfs/dbraw/zinc/53/14/36/971531436.db2.gz	FCFUKOPUMZETGU-SCZZXKLOSA-N	-1	0	251.286	0.048	20	30		CCEDRM
C#CCN(CC(=O)[O-])Cc1nc(-c2ccccn2)no1	ZINC000092490888	949159235	/nfs/dbraw/zinc/15/92/35/949159235.db2.gz	OLBOUWLSCVSURC-UHFFFAOYSA-N	-1	0	272.264	0.651	20	30		CCEDRM
C[C@@H](C(=O)[O-])C(=O)N1CCN(c2ncccc2C#N)CC1	ZINC001602800042	971571854	/nfs/dbraw/zinc/57/18/54/971571854.db2.gz	CFTGGNBSJVPYTB-SNVBAGLBSA-N	-1	0	288.307	0.323	20	30		CCEDRM
C[C@H](C(=O)[O-])C(=O)O[C@H](C(N)=O)c1ccc(C#N)cc1	ZINC001602810501	971600135	/nfs/dbraw/zinc/60/01/35/971600135.db2.gz	PFUDTDILKOYWGN-XCBNKYQSSA-N	-1	0	276.248	0.349	20	30		CCEDRM
CCN1CCC[C@H](NC(=O)[C@](C)(C#N)CC(=O)[O-])C1=O	ZINC001589744902	950672207	/nfs/dbraw/zinc/67/22/07/950672207.db2.gz	JUAZNENYGNNANU-ZANVPECISA-N	-1	0	281.312	0.118	20	30		CCEDRM
CCN1CCC[C@@H](NC(=O)[C@](C)(C#N)CC(=O)[O-])C1=O	ZINC001589744900	950673555	/nfs/dbraw/zinc/67/35/55/950673555.db2.gz	JUAZNENYGNNANU-RNCFNFMXSA-N	-1	0	281.312	0.118	20	30		CCEDRM
O=C([O-])CCCCC(=O)N[C@H]1CCCN(O)C1=O	ZINC001595034410	951385751	/nfs/dbraw/zinc/38/57/51/951385751.db2.gz	RESYVKUPDDSEDT-QMMMGPOBSA-N	-1	0	258.274	0.128	20	30		CCEDRM
C#CCN(CC(=O)[O-])C(=O)NCc1nnc(CC)s1	ZINC000391678224	951402826	/nfs/dbraw/zinc/40/28/26/951402826.db2.gz	UNCWRWPXZBPZBP-UHFFFAOYSA-N	-1	0	282.325	0.330	20	30		CCEDRM
CCc1cc(NC(=O)[C@@](C)(C#N)CC(=O)[O-])nn1C	ZINC001593632915	953586330	/nfs/dbraw/zinc/58/63/30/953586330.db2.gz	KEBKMPLKGBZHPS-GFCCVEGCSA-N	-1	0	264.285	0.926	20	30		CCEDRM
CN(CC(=O)[O-])Cc1cn(Cc2ccc(CC#N)cc2)nn1	ZINC001593722360	954258437	/nfs/dbraw/zinc/25/84/37/954258437.db2.gz	CMXHFQQEIAXRNZ-UHFFFAOYSA-N	-1	0	299.334	0.909	20	30		CCEDRM
C[C@H]1CN=C(NC(=O)[C@](C)(C#N)CC(=O)[O-])S1	ZINC001589407938	954479269	/nfs/dbraw/zinc/47/92/69/954479269.db2.gz	ZPXRGNFLLGEQLA-WKEGUHRASA-N	-1	0	255.299	0.598	20	30		CCEDRM
CC[C@@](C)(C#N)C(=O)N[C@@H]1CCCCN(CC(=O)[O-])C1=O	ZINC001589447917	954781203	/nfs/dbraw/zinc/78/12/03/954781203.db2.gz	RGSQBVCRUBVKRE-YGRLFVJLSA-N	-1	0	295.339	0.508	20	30		CCEDRM
CC[C@H](CC#N)NC(=O)[C@@H]1CCCN(CC(=O)[O-])C1=O	ZINC001589464448	954889575	/nfs/dbraw/zinc/88/95/75/954889575.db2.gz	TYCHILOUUOOQOJ-ZJUUUORDSA-N	-1	0	281.312	0.118	20	30		CCEDRM
COC(=O)[C@H](CNC(=O)[C@@](C)(C#N)CC(=O)[O-])CC1CC1	ZINC001593806496	954909985	/nfs/dbraw/zinc/90/99/85/954909985.db2.gz	IFRRTFUVIJJPDQ-IINYFYTJSA-N	-1	0	296.323	0.696	20	30		CCEDRM
COC(=O)CCN(CC(=O)[O-])Cc1cccc(C#N)n1	ZINC001593842239	955376846	/nfs/dbraw/zinc/37/68/46/955376846.db2.gz	VHOQSZRWKYGROK-UHFFFAOYSA-N	-1	0	277.280	0.403	20	30		CCEDRM
Cn1c(-c2ccnc(C#N)c2)nnc1N1CC[C@@H](C(=O)[O-])C1	ZINC001594515070	955410528	/nfs/dbraw/zinc/41/05/28/955410528.db2.gz	CZEFOVOHELHYDD-SNVBAGLBSA-N	-1	0	298.306	0.660	20	30		CCEDRM
C[C@H](CN(C)C(=O)C(=O)N1CCC[C@H](CC#N)C1)C(=O)[O-]	ZINC001589019971	955461764	/nfs/dbraw/zinc/46/17/64/955461764.db2.gz	MGYGYZIRPBXEBB-GHMZBOCLSA-N	-1	0	295.339	0.318	20	30		CCEDRM
C[C@H](CNS(=O)(=O)c1ccccc1CC#N)C(=O)[O-]	ZINC001589072054	955780029	/nfs/dbraw/zinc/78/00/29/955780029.db2.gz	FWQAXFAINHMEQN-SECBINFHSA-N	-1	0	282.321	0.752	20	30		CCEDRM
CO[C@H](C(=O)[O-])C(=O)N1CCCC(C)(C)[C@@H]1C#N	ZINC001593904421	955894508	/nfs/dbraw/zinc/89/45/08/955894508.db2.gz	FWZYWHWMTYZAIH-IUCAKERBSA-N	-1	0	254.286	0.627	20	30		CCEDRM
CO[C@@](C)(C(=O)[O-])C(=O)N[C@@H](CC#N)C(F)(F)F	ZINC001593925076	956110662	/nfs/dbraw/zinc/11/06/62/956110662.db2.gz	JSGIIFVFZLHIKV-YLWLKBPMSA-N	-1	0	268.191	0.437	20	30		CCEDRM
N#CC1(OC(=O)[C@H]2CCCN(CC(=O)[O-])C2=O)CCC1	ZINC001594603127	956153318	/nfs/dbraw/zinc/15/33/18/956153318.db2.gz	XZWPFESYJNIWIL-VIFPVBQESA-N	-1	0	280.280	0.299	20	30		CCEDRM
N#C[C@@H]1COCCN1C(=O)Cc1ccccc1C(=O)[O-]	ZINC001594605300	956164265	/nfs/dbraw/zinc/16/42/65/956164265.db2.gz	AGXBCQDCXMATFQ-LLVKDONJSA-N	-1	0	274.276	0.678	20	30		CCEDRM
N#CCC1(O)CN(C(=O)Nc2cccnc2C(=O)[O-])C1	ZINC001594606272	956179852	/nfs/dbraw/zinc/17/98/52/956179852.db2.gz	RDSZZMLODRXZDD-UHFFFAOYSA-N	-1	0	276.252	0.272	20	30		CCEDRM
N#CC[C@@H]1CCCN(C(=O)c2cnc(C(=O)[O-])cn2)C1	ZINC001594606652	956186076	/nfs/dbraw/zinc/18/60/76/956186076.db2.gz	YUKHLNWTFRQLIV-VIFPVBQESA-N	-1	0	274.280	0.941	20	30		CCEDRM
N#Cc1c(-c2ccccc2)nnn1CC(=O)C(=O)[O-]	ZINC001594611813	956220927	/nfs/dbraw/zinc/22/09/27/956220927.db2.gz	GNRBUMWEHIVHSK-UHFFFAOYSA-N	-1	0	256.221	0.470	20	30		CCEDRM
N#Cc1cc(C(=O)OCC2(C(=O)[O-])CCOCC2)c[nH]1	ZINC001594615654	956234347	/nfs/dbraw/zinc/23/43/47/956234347.db2.gz	BGGRUNARNQFGKV-UHFFFAOYSA-N	-1	0	278.264	0.925	20	30		CCEDRM
C[C@](O)(CNC(=O)C1(C#N)CC2(CC2)C1)C(=O)[O-]	ZINC001589138296	956245625	/nfs/dbraw/zinc/24/56/25/956245625.db2.gz	NDOHIFVBKAFEET-JTQLQIEISA-N	-1	0	252.270	0.022	20	30		CCEDRM
N#Cc1ccc(C(=O)Nc2ccn(CC(=O)[O-])n2)[nH]1	ZINC001594617461	956249224	/nfs/dbraw/zinc/24/92/24/956249224.db2.gz	AFHOVFJVFXYCEJ-UHFFFAOYSA-N	-1	0	259.225	0.420	20	30		CCEDRM
N#Cc1ccc(C[C@@H](C#N)C(=O)NCC(=O)[O-])cc1	ZINC001594618643	956265768	/nfs/dbraw/zinc/26/57/68/956265768.db2.gz	UPPYOTBYRBKBBL-NSHDSACASA-N	-1	0	257.249	0.441	20	30		CCEDRM
N#Cc1ccc(CNC(=O)[C@]2(C(=O)[O-])CCCO2)cc1	ZINC001594620607	956278129	/nfs/dbraw/zinc/27/81/29/956278129.db2.gz	NNCFKYKOYYQKCT-AWEZNQCLSA-N	-1	0	274.276	0.808	20	30		CCEDRM
N#Cc1cccc(CN2CCS(=O)(=O)C[C@H]2C(=O)[O-])c1	ZINC001594626090	956315420	/nfs/dbraw/zinc/31/54/20/956315420.db2.gz	SYPNCBMSWJKLBS-LBPRGKRZSA-N	-1	0	294.332	0.242	20	30		CCEDRM
N#Cc1cccc(CN2CCS(=O)(=O)C[C@@H]2C(=O)[O-])c1	ZINC001594626087	956315874	/nfs/dbraw/zinc/31/58/74/956315874.db2.gz	SYPNCBMSWJKLBS-GFCCVEGCSA-N	-1	0	294.332	0.242	20	30		CCEDRM
C[C@](O)(CNc1cc(F)c(C#N)cc1[N+](=O)[O-])C(=O)[O-]	ZINC001589148685	956324206	/nfs/dbraw/zinc/32/42/06/956324206.db2.gz	XMNPQTUVXXHLRP-NSHDSACASA-N	-1	0	283.215	0.853	20	30		CCEDRM
N#Cc1cccc(NC(=O)N2CC[C@H](C(=O)[O-])C2)n1	ZINC001594628309	956328626	/nfs/dbraw/zinc/32/86/26/956328626.db2.gz	JIRQSYHKIVVCHY-QMMMGPOBSA-N	-1	0	260.253	0.892	20	30		CCEDRM
N#Cc1csc(CON2C[C@@H](C(=O)[O-])CC2=O)n1	ZINC001594634337	956361104	/nfs/dbraw/zinc/36/11/04/956361104.db2.gz	IEYSKDDBKOYDRQ-LURJTMIESA-N	-1	0	267.266	0.379	20	30		CCEDRM
N#Cc1ncn(CCNC(=O)c2ccc(C(=O)[O-])cc2)n1	ZINC001594635850	956371912	/nfs/dbraw/zinc/37/19/12/956371912.db2.gz	VXNILEOYBGYMKZ-UHFFFAOYSA-N	-1	0	285.263	0.278	20	30		CCEDRM
COCC#CC(=O)N[C@@H](C)[C@@H]1C[C@H](C(=O)[O-])C1(C)C	ZINC001593951057	956384584	/nfs/dbraw/zinc/38/45/84/956384584.db2.gz	KQQOBQWVCPPHRC-GARJFASQSA-N	-1	0	267.325	0.888	20	30		CCEDRM
COC[C@H](C#N)OC(=O)[C@@H](C(=O)[O-])C1CCCC1	ZINC001593952709	956407325	/nfs/dbraw/zinc/40/73/25/956407325.db2.gz	BGMCAISRAQNAEZ-VHSXEESVSA-N	-1	0	255.270	0.959	20	30		CCEDRM
C[C@@H](CC(=O)[O-])NC(=O)N1CCN(C2CC2)[C@H](C#N)C1	ZINC001603124948	972211246	/nfs/dbraw/zinc/21/12/46/972211246.db2.gz	APUJRYJALZITOF-GXSJLCMTSA-N	-1	0	280.328	0.231	20	30		CCEDRM
COCCOCCN(C)C(=O)[C@](C)(C#N)CC(=O)[O-]	ZINC001594017748	957046654	/nfs/dbraw/zinc/04/66/54/957046654.db2.gz	YRIFORLMSTUGKF-LBPRGKRZSA-N	-1	0	272.301	0.112	20	30		CCEDRM
N#CCN(CC#N)S(=O)(=O)c1cccc(C(=O)[O-])c1	ZINC000019271685	957104803	/nfs/dbraw/zinc/10/48/03/957104803.db2.gz	IAHKXWQUDPMRMX-UHFFFAOYSA-N	-1	0	279.277	0.423	20	30		CCEDRM
N#CCCNS(=O)(=O)c1ccc(OCCC(=O)[O-])cc1	ZINC000054156415	957523020	/nfs/dbraw/zinc/52/30/20/957523020.db2.gz	ITUOSKSMGCGQIV-UHFFFAOYSA-N	-1	0	298.320	0.732	20	30		CCEDRM
CON(C(=O)c1cc(C#N)cn1C)[C@H](C)C(=O)[O-]	ZINC001594033733	957786619	/nfs/dbraw/zinc/78/66/19/957786619.db2.gz	GNWRIZHCTQAXPW-SSDOTTSWSA-N	-1	0	251.242	0.373	20	30		CCEDRM
Cc1cc(CNC(=O)[C@](C)(C#N)CC(=O)[O-])n(C)n1	ZINC001594304229	957947681	/nfs/dbraw/zinc/94/76/81/957947681.db2.gz	LCSUYVHZALCRMO-LBPRGKRZSA-N	-1	0	264.285	0.349	20	30		CCEDRM
C#C[C@@H](NC(=O)c1cn(CC(=O)[O-])nn1)c1ccccc1	ZINC001588385278	957970084	/nfs/dbraw/zinc/97/00/84/957970084.db2.gz	CDINRERCWYQTNI-LLVKDONJSA-N	-1	0	284.275	0.467	20	30		CCEDRM
C#CC1(O)CN(C(=O)/C=C/c2ccc(C(=O)[O-])o2)C1	ZINC001588387076	957983897	/nfs/dbraw/zinc/98/38/97/957983897.db2.gz	XXJUPQBNAIWJIV-GQCTYLIASA-N	-1	0	261.233	0.198	20	30		CCEDRM
C#C[C@@H](CC)OC(=O)C1(C(=O)[O-])CCS(=O)(=O)CC1	ZINC001588388591	957997248	/nfs/dbraw/zinc/99/72/48/957997248.db2.gz	VGDCIGYFXHSFIW-VIFPVBQESA-N	-1	0	288.321	0.221	20	30		CCEDRM
C#CCCCCNC(=O)N1CCO[C@@](COC)(C(=O)[O-])C1	ZINC001588390701	958011627	/nfs/dbraw/zinc/01/16/27/958011627.db2.gz	CFANRFKTIFTGFO-AWEZNQCLSA-N	-1	0	298.339	0.302	20	30		CCEDRM
C#CCN(CC(=O)NCCCC(=O)[O-])C(=O)OC(C)(C)C	ZINC001588394502	958034362	/nfs/dbraw/zinc/03/43/62/958034362.db2.gz	FQMXEMFWWUCLDA-UHFFFAOYSA-N	-1	0	298.339	0.838	20	30		CCEDRM
C#CCN(C(=O)c1ccc(C(=O)[O-])cn1)C1CSC1	ZINC001588396129	958047050	/nfs/dbraw/zinc/04/70/50/958047050.db2.gz	PTGRGSUXYILUIE-UHFFFAOYSA-N	-1	0	276.317	0.971	20	30		CCEDRM
C#CCN(CC(=O)[O-])C(=O)[C@H](C(=O)OCC)C(C)C	ZINC001588397796	958063987	/nfs/dbraw/zinc/06/39/87/958063987.db2.gz	UZLWQFSFEBVCOV-LLVKDONJSA-N	-1	0	269.297	0.368	20	30		CCEDRM
C#CCN(CC(=O)[O-])C(=O)CN1Cc2ccccc2C1=O	ZINC001588402181	958088646	/nfs/dbraw/zinc/08/86/46/958088646.db2.gz	NUVJQODEMHAQCN-UHFFFAOYSA-N	-1	0	286.287	0.189	20	30		CCEDRM
C#CCN(CC(=O)[O-])C(=O)NCc1ccc(C#N)cn1	ZINC001588408876	958119510	/nfs/dbraw/zinc/11/95/10/958119510.db2.gz	JPRADHHENPESJL-UHFFFAOYSA-N	-1	0	272.264	0.183	20	30		CCEDRM
C#CCN(CC(=O)[O-])C(=O)NC[C@H](C)CC1(C)OCCO1	ZINC001588409317	958125799	/nfs/dbraw/zinc/12/57/99/958125799.db2.gz	FHVITDCOSBKIAM-LLVKDONJSA-N	-1	0	298.339	0.505	20	30		CCEDRM
C#CCN(CC(=O)[O-])C(=O)c1ccc(/C=C\C(=O)OC)o1	ZINC001588416257	958162586	/nfs/dbraw/zinc/16/25/86/958162586.db2.gz	KTRFZFYVIXUWDA-ALCCZGGFSA-N	-1	0	291.259	0.626	20	30		CCEDRM
C#CCN(CC(=O)[O-])C(=O)[C@@H]1C[C@H]1C1CCOCC1	ZINC001588417495	958174762	/nfs/dbraw/zinc/17/47/62/958174762.db2.gz	RJYLRFFEPFONIF-NWDGAFQWSA-N	-1	0	265.309	0.596	20	30		CCEDRM
C#CCN(CC(=O)[O-])C(=O)c1ncc(C#N)cc1Cl	ZINC001588418504	958180273	/nfs/dbraw/zinc/18/02/73/958180273.db2.gz	JOPPFQQPCHYVNY-UHFFFAOYSA-N	-1	0	277.667	0.767	20	30		CCEDRM
C#CCN(CC(=O)[O-])C(=O)c1cnc(-c2ccccn2)nc1	ZINC001588418755	958185604	/nfs/dbraw/zinc/18/56/04/958185604.db2.gz	RISORJRPRPNRGD-UHFFFAOYSA-N	-1	0	296.286	0.699	20	30		CCEDRM
C#CCN(CC(=O)[O-])C[C@H]1CCCC[C@H]1C(=O)OC	ZINC001588423992	958211528	/nfs/dbraw/zinc/21/15/28/958211528.db2.gz	IOCGTELIFFHKSY-VXGBXAGGSA-N	-1	0	267.325	0.986	20	30		CCEDRM
C#CCN(CC(=O)[O-])Cc1noc(CCCC)n1	ZINC001588425070	958222537	/nfs/dbraw/zinc/22/25/37/958222537.db2.gz	DIQZZYFBKHFOPX-UHFFFAOYSA-N	-1	0	251.286	0.932	20	30		CCEDRM
C#CCN(CC(=O)[O-])c1nnc(-c2coc(NC)n2)n1C	ZINC001588426275	958228587	/nfs/dbraw/zinc/22/85/87/958228587.db2.gz	FCSPRWZUHMPNPY-UHFFFAOYSA-N	-1	0	290.283	0.036	20	30		CCEDRM
C#CCN(CC(=O)[O-])S(=O)(=O)c1cncc(C)c1	ZINC001588426703	958231605	/nfs/dbraw/zinc/23/16/05/958231605.db2.gz	ZFTZMUWNXYCOQP-UHFFFAOYSA-N	-1	0	268.294	0.099	20	30		CCEDRM
C[C@@H](NC(=O)[C@](C)(C#N)CC(=O)[O-])c1nnnn1C1CC1	ZINC001603216251	972330178	/nfs/dbraw/zinc/33/01/78/972330178.db2.gz	PEZPENGRJODETQ-KRTXAFLBSA-N	-1	0	292.299	0.190	20	30		CCEDRM
C#CCN(CC(=O)[O-])c1nnc(C2(O)CC2)n1CC(C)C	ZINC001588427373	958245008	/nfs/dbraw/zinc/24/50/08/958245008.db2.gz	VMIPPLQUSCJSOL-UHFFFAOYSA-N	-1	0	292.339	0.440	20	30		CCEDRM
C#CCN1CCCN(C(=O)c2ccc(C(=O)[O-])cn2)CC1	ZINC001588431412	958268763	/nfs/dbraw/zinc/26/87/63/958268763.db2.gz	YGSKDYXSQJBAJA-UHFFFAOYSA-N	-1	0	287.319	0.561	20	30		CCEDRM
C#CCN(CCCS(=O)(=O)c1ccccc1)CC(=O)[O-]	ZINC001588432431	958282404	/nfs/dbraw/zinc/28/24/04/958282404.db2.gz	SRQYJAHWXRPJNK-UHFFFAOYSA-N	-1	0	295.360	0.870	20	30		CCEDRM
C=C(C)CN(CC)C(=O)CN[C@@H](C(=O)[O-])c1ccnn1C	ZINC001588439587	958319245	/nfs/dbraw/zinc/31/92/45/958319245.db2.gz	DOLLHGNTTRAMJZ-CYBMUJFWSA-N	-1	0	294.355	0.560	20	30		CCEDRM
C=C(C)COCCNC(=O)[C@@H]1CO[C@@H](CCC(=O)[O-])C1	ZINC001588439815	958325144	/nfs/dbraw/zinc/32/51/44/958325144.db2.gz	HJNQOHBRGQOOMJ-RYUDHWBXSA-N	-1	0	285.340	0.965	20	30		CCEDRM
C=C(C)CN(C)C(=O)N[C@@H]1CCCCN(CC(=O)[O-])C1=O	ZINC001588443008	958349373	/nfs/dbraw/zinc/34/93/73/958349373.db2.gz	XEWHHQPWCKFKKF-LLVKDONJSA-N	-1	0	297.355	0.670	20	30		CCEDRM
C=C(CCC(=O)OC)C(=O)N(OC)[C@H](C)C(=O)[O-]	ZINC001588444722	958366015	/nfs/dbraw/zinc/36/60/15/958366015.db2.gz	OZYKAPOEYPTUEV-MRVPVSSYSA-N	-1	0	259.258	0.359	20	30		CCEDRM
C=C[C@H](O)c1nnc(N2CCC[C@@H](C(=O)[O-])C2)n1CC	ZINC001588453247	958435024	/nfs/dbraw/zinc/43/50/24/958435024.db2.gz	WCDSNIBWJNKBBZ-ZJUUUORDSA-N	-1	0	280.328	0.818	20	30		CCEDRM
C=CC[C@H](CO)NC(=O)[C@H]1CO[C@H](CCC(=O)[O-])C1	ZINC001588453498	958439234	/nfs/dbraw/zinc/43/92/34/958439234.db2.gz	ZDNJGUXFWYWNEC-GMTAPVOTSA-N	-1	0	271.313	0.310	20	30		CCEDRM
C=CCC[C@@H](NC(=O)[C@H](C)C(=O)[O-])C(=O)OCC	ZINC001588457380	958449667	/nfs/dbraw/zinc/44/96/67/958449667.db2.gz	XHYTVBSKIKFDRH-DTWKUNHWSA-N	-1	0	257.286	0.721	20	30		CCEDRM
C=CCCNC(=O)[C@@H]1CCCN(CC(=O)[O-])C1=O	ZINC001588459871	958470344	/nfs/dbraw/zinc/47/03/44/958470344.db2.gz	ISBUJZSKDBOQQA-VIFPVBQESA-N	-1	0	254.286	0.002	20	30		CCEDRM
C=CCOC[C@H](NC(=O)C1(C(=O)[O-])CCC1)C(=O)OC	ZINC001588465244	958499736	/nfs/dbraw/zinc/49/97/36/958499736.db2.gz	SPMPKGKBUOPEOQ-VIFPVBQESA-N	-1	0	285.296	0.102	20	30		CCEDRM
N#CCCNC(=O)CN1CCc2c(cccc2C(=O)[O-])C1	ZINC000124565572	958536368	/nfs/dbraw/zinc/53/63/68/958536368.db2.gz	JCZKQNCQMUMOAO-UHFFFAOYSA-N	-1	0	287.319	0.773	20	30		CCEDRM
Cc1ccc(N=NCc2c(C(=O)[O-])cnn2C)nn1	ZINC001594373199	958559327	/nfs/dbraw/zinc/55/93/27/958559327.db2.gz	HWFXVRCFSARHBM-UHFFFAOYSA-N	-1	0	260.257	0.663	20	30		CCEDRM
Cc1ccc(NCCNC(=O)[C@](C)(C#N)CC(=O)[O-])nc1	ZINC001594373437	958564496	/nfs/dbraw/zinc/56/44/96/958564496.db2.gz	AULWWAOQXNSBDX-AWEZNQCLSA-N	-1	0	290.323	0.923	20	30		CCEDRM
C[C@@](C#N)(CC(=O)[O-])C(=O)N1CC[C@@H]2OCC[C@@H]2C1	ZINC001573359818	958588215	/nfs/dbraw/zinc/58/82/15/958588215.db2.gz	JHJIBMFHMMTRDG-NRUUGDAUSA-N	-1	0	266.297	0.628	20	30		CCEDRM
CC#CCn1nnnc1N1CCC[C@@H](CC(=O)[O-])C1	ZINC001588480622	958590644	/nfs/dbraw/zinc/59/06/44/958590644.db2.gz	SACRYAKWFLXPFF-JTQLQIEISA-N	-1	0	263.301	0.388	20	30		CCEDRM
N#CCSCC(=O)Nc1ccc(C(=O)[O-])nc1	ZINC000128236412	958648085	/nfs/dbraw/zinc/64/80/85/958648085.db2.gz	TWCSLFYZHBVAFJ-UHFFFAOYSA-N	-1	0	251.267	0.975	20	30		CCEDRM
N#Cc1ccc(CN2C[C@H](O)C[C@@H]2C(=O)[O-])c(F)c1	ZINC000132248393	958779371	/nfs/dbraw/zinc/77/93/71/958779371.db2.gz	AQYCNTNLEQTDJO-ZYHUDNBSSA-N	-1	0	264.256	0.717	20	30		CCEDRM
C[C@@](C#N)(CC(=O)[O-])C(=O)N1CC[C@@H](N2CCCC2=O)C1	ZINC001588534978	958926554	/nfs/dbraw/zinc/92/65/54/958926554.db2.gz	LKJAMSCHKSYJBH-YGRLFVJLSA-N	-1	0	293.323	0.214	20	30		CCEDRM
CC(C)(O)C1CN(C(=O)[C@@](C)(C#N)CC(=O)[O-])C1	ZINC001588535888	958932687	/nfs/dbraw/zinc/93/26/87/958932687.db2.gz	RVYOMSGGBAVJPK-GFCCVEGCSA-N	-1	0	254.286	0.220	20	30		CCEDRM
C[C@@](C#N)(CC(=O)[O-])C(=O)NC[C@@H](CO)c1cccnc1	ZINC001588538495	958942397	/nfs/dbraw/zinc/94/23/97/958942397.db2.gz	IVWKOVUECWKREM-FZMZJTMJSA-N	-1	0	291.307	0.278	20	30		CCEDRM
C[C@](C#N)(CC(=O)[O-])C(=O)OCCOC(F)F	ZINC001588540072	958958390	/nfs/dbraw/zinc/95/83/90/958958390.db2.gz	PCTFAVLXUDTXAX-SECBINFHSA-N	-1	0	251.185	0.773	20	30		CCEDRM
C[C@](C#N)(CC(=O)[O-])C(=O)OCC(=O)c1cscn1	ZINC001588540258	958959669	/nfs/dbraw/zinc/95/96/69/958959669.db2.gz	UVENFCCDRXEWQP-LLVKDONJSA-N	-1	0	282.277	0.874	20	30		CCEDRM
C[C@](C#N)(CC(=O)[O-])C(=O)NCc1cnc2n1CCCC2	ZINC001588542312	958971410	/nfs/dbraw/zinc/97/14/10/958971410.db2.gz	WMUZOWRXOAHPEP-CQSZACIVSA-N	-1	0	290.323	0.840	20	30		CCEDRM
C[C@](C#N)(NC(=O)COC(=O)[C@@H](C(=O)[O-])C1CC1)C1CC1	ZINC001588542709	958972805	/nfs/dbraw/zinc/97/28/05/958972805.db2.gz	CEXQPRUJLVQHMP-BXUZGUMPSA-N	-1	0	294.307	0.449	20	30		CCEDRM
C[C@@H](C#N)C(=O)N1CCC(N2C[C@H](C(=O)[O-])CC2=O)CC1	ZINC001588543221	958977596	/nfs/dbraw/zinc/97/75/96/958977596.db2.gz	JFSYIMWSGQWCLB-VHSXEESVSA-N	-1	0	293.323	0.070	20	30		CCEDRM
C[C@@H](C#N)C(=O)NC[C@@H]1CCC2(CC(C(=O)[O-])C2)O1	ZINC001588543433	958979388	/nfs/dbraw/zinc/97/93/88/958979388.db2.gz	LTHYNEYJYJJCAA-SVPDRVBRSA-N	-1	0	266.297	0.675	20	30		CCEDRM
C#CC[C@@H](NC(=O)[C@@H]1CC(c2ccccc2)=NO1)C(=O)[O-]	ZINC000149802714	959027339	/nfs/dbraw/zinc/02/73/39/959027339.db2.gz	GNFNHBFHVNDOLL-YPMHNXCESA-N	-1	0	286.287	0.772	20	30		CCEDRM
C#CC[C@H](NC(=O)c1cc(COC)on1)C(=O)[O-]	ZINC000149870576	959028471	/nfs/dbraw/zinc/02/84/71/959028471.db2.gz	ZXNODKWIDKNHDG-QMMMGPOBSA-N	-1	0	252.226	0.027	20	30		CCEDRM
C#CC[C@@H](NC(=O)Cc1ccccc1[N+](=O)[O-])C(=O)[O-]	ZINC000149937948	959032487	/nfs/dbraw/zinc/03/24/87/959032487.db2.gz	GZGFLHMFPYSKCS-SNVBAGLBSA-N	-1	0	276.248	0.730	20	30		CCEDRM
CC(C)[C@@H](O)CCNC(=O)[C@@](C)(C#N)CC(=O)[O-]	ZINC001573500733	959061356	/nfs/dbraw/zinc/06/13/56/959061356.db2.gz	UBJINTSGWKCKIQ-JOYOIKCWSA-N	-1	0	256.302	0.514	20	30		CCEDRM
C[C@@](C#N)(CC(=O)[O-])C(=O)NCCc1csc(=O)[nH]1	ZINC001588557227	959065122	/nfs/dbraw/zinc/06/51/22/959065122.db2.gz	HGCRDOQAMBLSHK-NSHDSACASA-N	-1	0	283.309	0.512	20	30		CCEDRM
C#CC[C@H](NS(=O)(=O)c1cccc(F)c1C#N)C(=O)[O-]	ZINC000159586111	959121410	/nfs/dbraw/zinc/12/14/10/959121410.db2.gz	YCLNZHJHAVQISC-JTQLQIEISA-N	-1	0	296.279	0.452	20	30		CCEDRM
CC(C)c1nnc(CNC(=O)[C@@](C)(C#N)CC(=O)[O-])[nH]1	ZINC001573565422	959287211	/nfs/dbraw/zinc/28/72/11/959287211.db2.gz	YUDPWPFQWKGLCH-GFCCVEGCSA-N	-1	0	279.300	0.549	20	30		CCEDRM
C[C@@]1(C#N)CN(C(=O)Nc2cccnc2C(=O)[O-])CCO1	ZINC001573644293	959632629	/nfs/dbraw/zinc/63/26/29/959632629.db2.gz	XOZATTNTAXXSMC-CYBMUJFWSA-N	-1	0	290.279	0.926	20	30		CCEDRM
C[C@H](OC(=O)C1(CC(=O)[O-])CCC1)C(=O)N(C)CCC#N	ZINC001603273055	972488333	/nfs/dbraw/zinc/48/83/33/972488333.db2.gz	XVWKREBXQGAWES-JTQLQIEISA-N	-1	0	296.323	0.935	20	30		CCEDRM
C[C@H]1CCN(c2cnc(C#N)c(C#N)n2)C[C@H]1C(=O)[O-]	ZINC001573737369	960455307	/nfs/dbraw/zinc/45/53/07/960455307.db2.gz	QAEYTBCPEQRXJO-DTWKUNHWSA-N	-1	0	271.280	0.767	20	30		CCEDRM
N#CCc1ccc(S(=O)(=O)NCC(=O)[O-])c(Cl)c1	ZINC001574240806	960462137	/nfs/dbraw/zinc/46/21/37/960462137.db2.gz	BDRCCDOWCUMZFR-UHFFFAOYSA-N	-1	0	288.712	0.769	20	30		CCEDRM
N#CC1(C(=O)[O-])CCN(C(=O)CCc2ncccn2)CC1	ZINC001571034303	960500656	/nfs/dbraw/zinc/50/06/56/960500656.db2.gz	FBTWQDVZYXZUPP-UHFFFAOYSA-N	-1	0	288.307	0.626	20	30		CCEDRM
Cn1nccc1[C@H](NC(=O)c1ccc(C#N)s1)C(=O)[O-]	ZINC001571037924	960547563	/nfs/dbraw/zinc/54/75/63/960547563.db2.gz	FQNKMTCPFKULPM-JTQLQIEISA-N	-1	0	290.304	0.909	20	30		CCEDRM
Cc1[nH]c(C#N)cc1C(=O)Nc1n[nH]cc1C(=O)[O-]	ZINC001574298479	960712641	/nfs/dbraw/zinc/71/26/41/960712641.db2.gz	FGUIDAXIAIPYRH-UHFFFAOYSA-N	-1	0	259.225	0.868	20	30		CCEDRM
Cc1nc2c(c(=O)[nH]1)CN(c1ccc(C(=O)[O-])nc1C#N)C2	ZINC001571062025	960778114	/nfs/dbraw/zinc/77/81/14/960778114.db2.gz	SGOJWZPTJFIZJL-UHFFFAOYSA-N	-1	0	297.274	0.976	20	30		CCEDRM
CC[C@@H](CNC(=O)N1CC[C@](O)(CC#N)C1)C(=O)[O-]	ZINC001573798923	960805721	/nfs/dbraw/zinc/80/57/21/960805721.db2.gz	FVXLBBJVIAACQQ-JOYOIKCWSA-N	-1	0	269.301	0.157	20	30		CCEDRM
COc1ncc(NC(=O)c2cnc(C(=O)[O-])cn2)cc1C#N	ZINC001571067539	960855416	/nfs/dbraw/zinc/85/54/16/960855416.db2.gz	WHCSTRWEKJLBJX-UHFFFAOYSA-N	-1	0	299.246	0.702	20	30		CCEDRM
Cc1cnc(CCNC(=O)[C@](C)(C#N)CC(=O)[O-])cn1	ZINC001574410628	961277363	/nfs/dbraw/zinc/27/73/63/961277363.db2.gz	IFQCMJUPBDSHGQ-ZDUSSCGKSA-N	-1	0	276.296	0.448	20	30		CCEDRM
Cn1cc(C#N)c(NC(=O)N[C@H]2C[C@@H](C(=O)[O-])C2)n1	ZINC001574449586	961467395	/nfs/dbraw/zinc/46/73/95/961467395.db2.gz	MNSWPTRJDHGEOW-WRXNHJIOSA-N	-1	0	263.257	0.276	20	30		CCEDRM
N#Cc1cc(C(=O)N2C[C@H]3COC[C@@]3(C(=O)[O-])C2)c[nH]1	ZINC001574479350	961648187	/nfs/dbraw/zinc/64/81/87/961648187.db2.gz	HOIHRLSVNWJQLY-ZANVPECISA-N	-1	0	275.264	0.060	20	30		CCEDRM
N#CC[C@@]1(O)CCN(C(=O)N[C@H]2CC[C@@H](C(=O)[O-])C2)C1	ZINC001574480320	961660808	/nfs/dbraw/zinc/66/08/08/961660808.db2.gz	FIODHTVLGQPQRW-GBIKHYSHSA-N	-1	0	281.312	0.300	20	30		CCEDRM
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CC(C)OCCn1cc(C(=O)[O-])cc(C#N)c1=O	ZINC001591731097	975706246	/nfs/dbraw/zinc/70/62/46/975706246.db2.gz	SPQNHKXEGUNQSM-UHFFFAOYSA-N	-1	0	250.254	0.843	20	30		CCEDRM
CC(C)[C@@H](NC(=O)c1cccc(C#CCO)c1)C(=O)[O-]	ZINC001591837099	976112023	/nfs/dbraw/zinc/11/20/23/976112023.db2.gz	SGYNUHZTWIPDIR-CYBMUJFWSA-N	-1	0	275.304	0.869	20	30		CCEDRM
CC(C)[C@H](NC(=O)CN(C)[C@@H](C)CC#N)C(=O)[O-]	ZINC001591866321	976169173	/nfs/dbraw/zinc/16/91/73/976169173.db2.gz	FLILCWKJWNYZNA-ONGXEEELSA-N	-1	0	255.318	0.446	20	30		CCEDRM
CC(C)[C@H](NC(=O)CN([C@H](C)C#N)C1CC1)C(=O)[O-]	ZINC001591866346	976169290	/nfs/dbraw/zinc/16/92/90/976169290.db2.gz	GFMNZTQXJCRYEV-SKDRFNHKSA-N	-1	0	267.329	0.588	20	30		CCEDRM
C[C@H](/C=C/C(=O)[O-])NS(=O)(=O)c1ccsc1C#N	ZINC001592210797	977257108	/nfs/dbraw/zinc/25/71/08/977257108.db2.gz	GVRHIJLUHPXTLX-TYWZFMJISA-N	-1	0	286.334	0.927	20	30		CCEDRM
C[C@H](CC(=O)[O-])CC(=O)NCc1ccc(C(=O)NO)cc1	ZINC001592387997	977931643	/nfs/dbraw/zinc/93/16/43/977931643.db2.gz	LIYADYHNVNKNSP-VIFPVBQESA-N	-1	0	294.307	0.923	20	30		CCEDRM
C[C@@H](CN(C1CC1)S(=O)(=O)CC1(C#N)CC1)C(=O)[O-]	ZINC001592593921	978527575	/nfs/dbraw/zinc/52/75/75/978527575.db2.gz	NSXUUFJWDZVMHG-VIFPVBQESA-N	-1	0	286.353	0.805	20	30		CCEDRM
CCC(CC)(NS(=O)(=O)N(C)C[C@@H](C)C#N)C(=O)[O-]	ZINC001595101418	979407045	/nfs/dbraw/zinc/40/70/45/979407045.db2.gz	KNFXBXKSOIZSHI-VIFPVBQESA-N	-1	0	291.373	0.556	20	30		CCEDRM
CC[C@H](O)CNN=C(C)c1cncc(C(=O)[O-])c1	ZINC001595329835	980562344	/nfs/dbraw/zinc/56/23/44/980562344.db2.gz	KRNNHZBOHKOYSL-NSHDSACASA-N	-1	0	251.286	0.864	20	30		CCEDRM
CC[C@H](C(=O)[O-])C(=O)N1CCN([C@@H](C#N)C(C)C)CC1	ZINC001594745111	981629452	/nfs/dbraw/zinc/62/94/52/981629452.db2.gz	LCHFRLPVAUVKOY-RYUDHWBXSA-N	-1	0	281.356	0.790	20	30		CCEDRM
CC[C@H](C(=O)[O-])C(=O)N1CCN([C@H](C#N)C(C)C)CC1	ZINC001594745110	981629510	/nfs/dbraw/zinc/62/95/10/981629510.db2.gz	LCHFRLPVAUVKOY-NWDGAFQWSA-N	-1	0	281.356	0.790	20	30		CCEDRM
CC[C@H](C(=O)[O-])C(=O)OCC(=O)N(CC)C[C@H](C)C#N	ZINC001594764563	981709365	/nfs/dbraw/zinc/70/93/65/981709365.db2.gz	IHABVOCOGPEVGC-NXEZZACHSA-N	-1	0	284.312	0.649	20	30		CCEDRM
CC[C@](C)(C#N)C(=O)OCC(=O)N1CCC(C(=O)[O-])CC1	ZINC001594778672	981780600	/nfs/dbraw/zinc/78/06/00/981780600.db2.gz	YPVCPTYSQHWSMI-CQSZACIVSA-N	-1	0	296.323	0.793	20	30		CCEDRM
CCCC[C@@H](NS(=O)(=O)c1ccc(C#N)cn1)C(=O)[O-]	ZINC001595642063	981970381	/nfs/dbraw/zinc/97/03/81/981970381.db2.gz	GGIATNINHUJXIF-SNVBAGLBSA-N	-1	0	297.336	0.875	20	30		CCEDRM
CC[C@H](C)[C@H](NC(=O)COC(=O)C#CC1CC1)C(=O)[O-]	ZINC001594898107	982346516	/nfs/dbraw/zinc/34/65/16/982346516.db2.gz	UGXOVVNMDLNBNT-ZANVPECISA-N	-1	0	281.308	0.559	20	30		CCEDRM
CC[C@H](C)C[C@H](NC(=O)Cn1cnc(C#N)n1)C(=O)[O-]	ZINC001573674404	983081309	/nfs/dbraw/zinc/08/13/09/983081309.db2.gz	WDWBRMADOJNAEB-IUCAKERBSA-N	-1	0	279.300	0.155	20	30		CCEDRM
N#Cc1cc(=O)n(CC(=O)Nc2ccccc2C(=O)[O-])cn1	ZINC001574242413	983200241	/nfs/dbraw/zinc/20/02/41/983200241.db2.gz	YHHXXPYJOFWUJP-UHFFFAOYSA-N	-1	0	298.258	0.452	20	30		CCEDRM
C#CC(C)(C)NS(=O)(=O)CC1(CC(=O)[O-])CC1	ZINC001588367067	983296848	/nfs/dbraw/zinc/29/68/48/983296848.db2.gz	HVCHDIYOHVNMRI-UHFFFAOYSA-N	-1	0	259.327	0.573	20	30		CCEDRM
C#C[C@H](C)N(C)S(=O)(=O)[C@H]1CC[C@@H](C(=O)[O-])C1	ZINC001588368974	983309439	/nfs/dbraw/zinc/30/94/39/983309439.db2.gz	XEMWJWUWEPFKLE-AEJSXWLSSA-N	-1	0	259.327	0.523	20	30		CCEDRM
C#C[C@H](C)N(C)S(=O)(=O)c1ccc(C(=O)[O-])nc1	ZINC001588369060	983310662	/nfs/dbraw/zinc/31/06/62/983310662.db2.gz	ZDFGHEBRVOFTOY-QMMMGPOBSA-N	-1	0	268.294	0.422	20	30		CCEDRM
C#C[C@@H](CC)NC(=O)N1C[C@H]2COCC[C@@]2(C(=O)[O-])C1	ZINC001588369490	983314706	/nfs/dbraw/zinc/31/47/06/983314706.db2.gz	NQOKFBQUVWUKEG-COPLHBTASA-N	-1	0	280.324	0.531	20	30		CCEDRM
C#C[C@H](NC(=O)C(=O)Nc1cc(C)[nH]c1C(=O)[O-])C(C)C	ZINC001588370517	983319897	/nfs/dbraw/zinc/31/98/97/983319897.db2.gz	GCZBDSGFLQHIOL-VIFPVBQESA-N	-1	0	291.307	0.734	20	30		CCEDRM
C#C[C@@H](NC(=O)Nc1nn(C)cc1C(=O)[O-])[C@H]1CCCO1	ZINC001588373402	983338194	/nfs/dbraw/zinc/33/81/94/983338194.db2.gz	FWAWUSWWOWFDFE-NXEZZACHSA-N	-1	0	292.295	0.421	20	30		CCEDRM
C#CC1(NC(=O)Cn2cc(C(=O)[O-])cn2)CCCC1	ZINC001588379756	983365207	/nfs/dbraw/zinc/36/52/07/983365207.db2.gz	QFTFZTSURIXPND-UHFFFAOYSA-N	-1	0	261.281	0.644	20	30		CCEDRM
C#CC1(NC(=O)NC[C@H]2CCO[C@H]2C(=O)[O-])CCCC1	ZINC001588379978	983366558	/nfs/dbraw/zinc/36/65/58/983366558.db2.gz	WJVJNTNWFKPFDV-GHMZBOCLSA-N	-1	0	280.324	0.721	20	30		CCEDRM
C#CC1(O)CN([C@H](C(=O)[O-])c2cc(OC)cc(OC)c2)C1	ZINC001588381800	983366830	/nfs/dbraw/zinc/36/68/30/983366830.db2.gz	AGUNTLRXGICICZ-ZDUSSCGKSA-N	-1	0	291.303	0.509	20	30		CCEDRM
C#CC1(O)CN(C(=O)C23CCC(C(=O)[O-])(CC2)C3)C1	ZINC001588380033	983366943	/nfs/dbraw/zinc/36/69/43/983366943.db2.gz	YPSMXDXFBHQFNA-UHFFFAOYSA-N	-1	0	263.293	0.228	20	30		CCEDRM
C#C[C@H]1CCCN(C(=O)C(=O)NC2CC(CC(=O)[O-])C2)C1	ZINC001588382920	983375579	/nfs/dbraw/zinc/37/55/79/983375579.db2.gz	VXGHQQFYOPUWFJ-UNXYVOJBSA-N	-1	0	292.335	0.228	20	30		CCEDRM
C#CC1CCN(C(=O)CN2CCC[C@H](C(=O)[O-])C2=O)CC1	ZINC001588383126	983377363	/nfs/dbraw/zinc/37/73/63/983377363.db2.gz	OCKZSPDFHHPPBA-LBPRGKRZSA-N	-1	0	292.335	0.181	20	30		CCEDRM
C#C[C@@H]1CCCN(C(=O)C(=O)N2CC[C@@H](C(=O)[O-])[C@H]2C)C1	ZINC001588383213	983378969	/nfs/dbraw/zinc/37/89/69/983378969.db2.gz	ZUMWWFPRQFAXDP-IJLUTSLNSA-N	-1	0	292.335	0.180	20	30		CCEDRM
C#C[C@@H]1COCCN1C(=O)c1ccc(C(=O)[O-])cc1	ZINC001588383972	983385844	/nfs/dbraw/zinc/38/58/44/983385844.db2.gz	QXCKGMFJRAMTGP-GFCCVEGCSA-N	-1	0	259.261	0.859	20	30		CCEDRM
C#CCC(CC#C)C(=O)OCC(=O)N[C@H](C(=O)[O-])C(C)C	ZINC001588389843	983388815	/nfs/dbraw/zinc/38/88/15/983388815.db2.gz	BXVRGTTVONZVPF-ZDUSSCGKSA-N	-1	0	293.319	0.418	20	30		CCEDRM
C#CC[C@@H](CO)NC(=O)c1ccsc1CC(=O)[O-]	ZINC001588393526	983398613	/nfs/dbraw/zinc/39/86/13/983398613.db2.gz	GTSMVCWIYXWZES-QMMMGPOBSA-N	-1	0	267.306	0.489	20	30		CCEDRM
C#CC[C@@H](CCOC)NC(=O)N1CC[C@@](C)(C(=O)[O-])C1	ZINC001588394664	983403274	/nfs/dbraw/zinc/40/32/74/983403274.db2.gz	ORLPXKZMMJWHEB-SMDDNHRTSA-N	-1	0	282.340	0.921	20	30		CCEDRM
C#CC[C@@H](COC)NC(=O)c1ccc(C(=O)[O-])n1C	ZINC001588395399	983405895	/nfs/dbraw/zinc/40/58/95/983405895.db2.gz	QPFJIFWXQDRBLI-VIFPVBQESA-N	-1	0	264.281	0.491	20	30		CCEDRM
C#CC[C@H](NC(=O)[C@H](C)CNC(=O)OC(C)(C)C)C(=O)[O-]	ZINC001588398607	983413647	/nfs/dbraw/zinc/41/36/47/983413647.db2.gz	LIUOWHAQSULCFW-ZJUUUORDSA-N	-1	0	298.339	0.740	20	30		CCEDRM
C#CC[C@H](NC(=O)CCCCc1cn[nH]n1)C(=O)[O-]	ZINC001588405235	983420412	/nfs/dbraw/zinc/42/04/12/983420412.db2.gz	DYBZTPQXICKQIC-JTQLQIEISA-N	-1	0	264.285	0.110	20	30		CCEDRM
C#CC[C@H](NC(=O)C[C@H]1NC(=O)c2ccccc21)C(=O)[O-]	ZINC001588405982	983423436	/nfs/dbraw/zinc/42/34/36/983423436.db2.gz	LCDKEQWLWIMZEQ-NWDGAFQWSA-N	-1	0	286.287	0.454	20	30		CCEDRM
C#CC[C@H](NC(=O)CCCNC(=O)OCC)C(=O)[O-]	ZINC001588406015	983423857	/nfs/dbraw/zinc/42/38/57/983423857.db2.gz	LGXGJTJFOIESQL-VIFPVBQESA-N	-1	0	270.285	0.105	20	30		CCEDRM
C#CC[C@@H](NC(=O)[C@@H]1CCCN(C(=O)OCC)C1)C(=O)[O-]	ZINC001588406756	983426202	/nfs/dbraw/zinc/42/62/02/983426202.db2.gz	TVIFSZIRJBKDOA-GHMZBOCLSA-N	-1	0	296.323	0.448	20	30		CCEDRM
C#CC[C@H](NC(=O)CC(C)(C)CC(=O)OC)C(=O)[O-]	ZINC001588407255	983427571	/nfs/dbraw/zinc/42/75/71/983427571.db2.gz	YDGOXKHGAWAQKU-VIFPVBQESA-N	-1	0	269.297	0.559	20	30		CCEDRM
C#CC[C@H](NC(=O)[C@H](C)NC(=O)OC(C)(C)C)C(=O)[O-]	ZINC001588407414	983428383	/nfs/dbraw/zinc/42/83/83/983428383.db2.gz	HMTFZISBJLAWCG-IUCAKERBSA-N	-1	0	284.312	0.492	20	30		CCEDRM
C#CC[C@H](NC(=O)c1c(CC)c(CC)n[nH]c1=O)C(=O)[O-]	ZINC001588413980	983432844	/nfs/dbraw/zinc/43/28/44/983432844.db2.gz	LVSFVBQGVKIKSA-JTQLQIEISA-N	-1	0	291.307	0.513	20	30		CCEDRM
C#CC[C@H](NC(=O)c1ccc2oc(=O)[nH]c2c1)C(=O)[O-]	ZINC001588415638	983435166	/nfs/dbraw/zinc/43/51/66/983435166.db2.gz	BWNWWWLFXMGQGL-QMMMGPOBSA-N	-1	0	274.232	0.740	20	30		CCEDRM
C#CC[C@@H](NC(=O)c1nnn(-c2ccccc2)c1C)C(=O)[O-]	ZINC001588421066	983439086	/nfs/dbraw/zinc/43/90/86/983439086.db2.gz	ACUCCUONIPSICW-GFCCVEGCSA-N	-1	0	298.302	0.782	20	30		CCEDRM
C#CC[C@H](NC(=O)c1ncoc1[C@@H]1CCCO1)C(=O)[O-]	ZINC001588421214	983439909	/nfs/dbraw/zinc/43/99/09/983439909.db2.gz	DJRMDLNRMBTMTF-IUCAKERBSA-N	-1	0	278.264	0.732	20	30		CCEDRM
C#CC[C@@H](NCc1cc(C(=O)OC)no1)C(=O)[O-]	ZINC001588422659	983447518	/nfs/dbraw/zinc/44/75/18/983447518.db2.gz	MSNZVMUDEZAEQX-MRVPVSSYSA-N	-1	0	252.226	0.027	20	30		CCEDRM
C#CC[C@H](NS(=O)(=O)CCC1CCOCC1)C(=O)[O-]	ZINC001588424689	983456469	/nfs/dbraw/zinc/45/64/69/983456469.db2.gz	ZEKMYXIMJYKIMA-NSHDSACASA-N	-1	0	289.353	0.199	20	30		CCEDRM
C#CC[C@H]1CCCN(C(=O)C(=O)NC[C@H]2C[C@H]2C(=O)[O-])C1	ZINC001588431117	983464598	/nfs/dbraw/zinc/46/45/98/983464598.db2.gz	GZEOHLFPHMIIIW-QJPTWQEYSA-N	-1	0	292.335	0.085	20	30		CCEDRM
C#CCCOC(=O)N1C[C@@H](C(=O)OC)CC[C@H]1C(=O)[O-]	ZINC001588455490	983479731	/nfs/dbraw/zinc/47/97/31/983479731.db2.gz	NXNLMRAPTOINDZ-UWVGGRQHSA-N	-1	0	283.280	0.485	20	30		CCEDRM
C#CCCS(=O)(=O)NC[C@@H](Oc1ccccc1)C(=O)[O-]	ZINC001588458550	983483133	/nfs/dbraw/zinc/48/31/33/983483133.db2.gz	OPPJKPKDZZOEPB-GFCCVEGCSA-N	-1	0	297.332	0.461	20	30		CCEDRM
C#CCN(C)C(=O)C(=O)Nc1cccc(C(=O)[O-])c1OC	ZINC001588461439	983489883	/nfs/dbraw/zinc/48/98/83/983489883.db2.gz	PLUDXPGZHFHDDY-UHFFFAOYSA-N	-1	0	290.275	0.424	20	30		CCEDRM
C#CCN(C)S(=O)(=O)c1cnc(C)c(C(=O)[O-])c1	ZINC001588463828	983492361	/nfs/dbraw/zinc/49/23/61/983492361.db2.gz	NNAXEJSVAUZSQZ-UHFFFAOYSA-N	-1	0	268.294	0.342	20	30		CCEDRM
C#CCN(C)S(=O)(=O)c1cc(C)c(C(=O)[O-])o1	ZINC001588463952	983492869	/nfs/dbraw/zinc/49/28/69/983492869.db2.gz	RSLJSUQZOIDXBF-UHFFFAOYSA-N	-1	0	257.267	0.540	20	30		CCEDRM
C#CCN(CC#CC)C(=O)C(=O)Nc1cccc(C(=O)[O-])n1	ZINC001588464742	983494201	/nfs/dbraw/zinc/49/42/01/983494201.db2.gz	HTUGTYAEWYBAKA-UHFFFAOYSA-N	-1	0	299.286	0.203	20	30		CCEDRM
C#CCN(CC)S(=O)(=O)[C@@H]1CCCC[C@H]1C(=O)[O-]	ZINC001588468181	983500261	/nfs/dbraw/zinc/50/02/61/983500261.db2.gz	QNRLQHPSNCYSJL-GHMZBOCLSA-N	-1	0	273.354	0.915	20	30		CCEDRM
C#CCN1CCC[C@H](NC(=O)CCSCC(=O)[O-])C1	ZINC001588475978	983510227	/nfs/dbraw/zinc/51/02/27/983510227.db2.gz	KGGWBDOPVWZZTL-NSHDSACASA-N	-1	0	284.381	0.408	20	30		CCEDRM
C#CCN1CCC[C@@H]1COC(=O)c1cc(C(=O)[O-])nn1C	ZINC001588476459	983511427	/nfs/dbraw/zinc/51/14/27/983511427.db2.gz	CGVBLHOBONJIFL-SNVBAGLBSA-N	-1	0	291.307	0.373	20	30		CCEDRM
C#CCNC(=O)[C@H](C)OC(=O)CCCCC(=O)[O-]	ZINC001588479270	983518624	/nfs/dbraw/zinc/51/86/24/983518624.db2.gz	HIOUXMRBNPOVRQ-VIFPVBQESA-N	-1	0	255.270	0.313	20	30		CCEDRM
C#CCNC(=O)[C@H](C)N1CCc2cc(C(=O)[O-])ccc2C1	ZINC001588479428	983519506	/nfs/dbraw/zinc/51/95/06/983519506.db2.gz	NQZFOCVRSNXUIW-NSHDSACASA-N	-1	0	286.331	0.881	20	30		CCEDRM
C#CCOCCC(=O)NCc1c(C)nn(CC(=O)[O-])c1C	ZINC001588490098	983530412	/nfs/dbraw/zinc/53/04/12/983530412.db2.gz	RAJQOLHBVRQYIC-UHFFFAOYSA-N	-1	0	293.323	0.241	20	30		CCEDRM
C#CCO[C@H](C)C(=O)OCC(=O)c1cc(C(=O)[O-])co1	ZINC001588490551	983532889	/nfs/dbraw/zinc/53/28/89/983532889.db2.gz	PDUJHKWAJNMWFY-MRVPVSSYSA-N	-1	0	280.232	0.742	20	30		CCEDRM
C#CCO[C@H](C)C(=O)O[C@H]1CCCN(CCC(=O)[O-])C1=O	ZINC001588490599	983533452	/nfs/dbraw/zinc/53/34/52/983533452.db2.gz	RAQJOKAOYAYGMZ-MNOVXSKESA-N	-1	0	297.307	0.034	20	30		CCEDRM
C#CCSCC(=O)N[C@@](C)(COC)CC(=O)[O-]	ZINC001588504874	983549266	/nfs/dbraw/zinc/54/92/66/983549266.db2.gz	ODWFTOBHKULOJU-LLVKDONJSA-N	-1	0	259.327	0.349	20	30		CCEDRM
C#Cc1ccc(C(=O)N[C@@H](Cn2ccnc2)C(=O)[O-])cn1	ZINC001588510873	983557576	/nfs/dbraw/zinc/55/75/76/983557576.db2.gz	NEEPBBVDFDMSEE-LBPRGKRZSA-N	-1	0	284.275	0.143	20	30		CCEDRM
C#Cc1ccc(NS(=O)(=O)CCC(=O)[O-])cc1	ZINC001588518016	983567474	/nfs/dbraw/zinc/56/74/74/983567474.db2.gz	MOEDEOGPNSSHGH-UHFFFAOYSA-N	-1	0	253.279	0.884	20	30		CCEDRM
C=C(C)C(C)(C)C(=O)NCCCNC(=O)[C@@H]1C[C@H]1C(=O)[O-]	ZINC001588530001	983583129	/nfs/dbraw/zinc/58/31/29/983583129.db2.gz	OULKGNXLJLTWDN-GHMZBOCLSA-N	-1	0	296.367	0.932	20	30		CCEDRM
C=C(C)C[C@H](C)C(=O)N1C[C@H](O)C[C@@H](C(=O)[O-])C1	ZINC001588535949	983591682	/nfs/dbraw/zinc/59/16/82/983591682.db2.gz	MTKBHTDOKLFHJY-HBNTYKKESA-N	-1	0	255.314	0.883	20	30		CCEDRM
C=C(C)C[C@H](CO)NC(=O)c1c[nH]c(C(=O)[O-])c1	ZINC001588537668	983601321	/nfs/dbraw/zinc/60/13/21/983601321.db2.gz	VNFHWHLWUWCJOH-SECBINFHSA-N	-1	0	252.270	0.770	20	30		CCEDRM
C=C(C)C[C@H](NC(=O)C[C@H]1CCOC[C@@H]1OC)C(=O)[O-]	ZINC001588540935	983605771	/nfs/dbraw/zinc/60/57/71/983605771.db2.gz	PGONOYRQDHFLKB-WOPDTQHZSA-N	-1	0	285.340	0.964	20	30		CCEDRM
C=C(C)C[C@@H](NC(=O)c1coc(OC)n1)C(=O)[O-]	ZINC001588548018	983622647	/nfs/dbraw/zinc/62/26/47/983622647.db2.gz	KVURRBGCRVBJLI-SSDOTTSWSA-N	-1	0	254.242	0.832	20	30		CCEDRM
CCN(CC(N)=O)Cc1cccc(C(=O)[O-])c1C#N	ZINC001596236830	983632841	/nfs/dbraw/zinc/63/28/41/983632841.db2.gz	DWCUENDKOTYHTI-UHFFFAOYSA-N	-1	0	261.281	0.564	20	30		CCEDRM
C=C(C)C[C@@H](Nc1ncnc2c1nnn2C)C(=O)[O-]	ZINC001588555159	983633426	/nfs/dbraw/zinc/63/34/26/983633426.db2.gz	ZXRBUDYOMLYFJZ-SSDOTTSWSA-N	-1	0	262.273	0.590	20	30		CCEDRM
C=C(C)CCNC(=O)N1C[C@H](C(=O)[O-])[C@H](C(=O)OC)C1	ZINC001588559011	983639568	/nfs/dbraw/zinc/63/95/68/983639568.db2.gz	GYWWTCXIKARABP-VHSXEESVSA-N	-1	0	284.312	0.468	20	30		CCEDRM
C=C(C)Cn1c(CO)nnc1N1CC[C@](F)(C(=O)[O-])C1	ZINC001588598155	983681878	/nfs/dbraw/zinc/68/18/78/983681878.db2.gz	SSBWHIRQQPTCLL-GFCCVEGCSA-N	-1	0	284.291	0.350	20	30		CCEDRM
C=C(CCC(=O)[O-])C(=O)N(C)CCCN1CC[NH+](C)CC1	ZINC001588606788	983698618	/nfs/dbraw/zinc/69/86/18/983698618.db2.gz	JNYLROCNLJKTTD-UHFFFAOYSA-N	-1	0	297.399	0.503	20	30		CCEDRM
C=C(CCC(=O)[O-])C(=O)N1CCSC[C@H]1CCO	ZINC001588619020	983714247	/nfs/dbraw/zinc/71/42/47/983714247.db2.gz	IEEGUCGAINIZSE-SNVBAGLBSA-N	-1	0	273.354	0.734	20	30		CCEDRM
C=C(CCC(=O)[O-])C(=O)N[C@]1(CCO)CCOC1	ZINC001588621477	983719258	/nfs/dbraw/zinc/71/92/58/983719258.db2.gz	DYZXQMQGHMBDGN-GFCCVEGCSA-N	-1	0	257.286	0.065	20	30		CCEDRM
CCN(CCC#N)S(=O)(=O)N1CC[C@H](C(=O)[O-])[C@@H]1C	ZINC001596299633	983725389	/nfs/dbraw/zinc/72/53/89/983725389.db2.gz	RQFHLEQKGQDWLP-UWVGGRQHSA-N	-1	0	289.357	0.262	20	30		CCEDRM
C=C(CCC(=O)[O-])C(=O)NCCc1cnc(OC)nc1	ZINC001588624754	983734851	/nfs/dbraw/zinc/73/48/51/983734851.db2.gz	VQSDUJOSUDBDIU-UHFFFAOYSA-N	-1	0	279.296	0.565	20	30		CCEDRM
C=C(CCC(=O)[O-])C(=O)NCc1nc(C(F)(F)F)n[nH]1	ZINC001588630174	983741658	/nfs/dbraw/zinc/74/16/58/983741658.db2.gz	SOIQNIKVNLEHLG-UHFFFAOYSA-N	-1	0	292.217	0.861	20	30		CCEDRM
C=C(CCC(=O)[O-])C(=O)NC[C@H]1CCO[C@H]1C(=O)OC	ZINC001588630328	983743380	/nfs/dbraw/zinc/74/33/80/983743380.db2.gz	XKBNGINUEGYGFI-MWLCHTKSSA-N	-1	0	285.296	0.102	20	30		CCEDRM
C=C(CCC(=O)[O-])C(=O)Nc1nc(CC(N)=O)cs1	ZINC001588632860	983746574	/nfs/dbraw/zinc/74/65/74/983746574.db2.gz	COXHYBASQNFDEX-UHFFFAOYSA-N	-1	0	283.309	0.530	20	30		CCEDRM
C=C(CCC(=O)OC)C(=O)N(CC)CCC(=O)[O-]	ZINC001588634192	983752649	/nfs/dbraw/zinc/75/26/49/983752649.db2.gz	YEFIFKZRWVIUCM-UHFFFAOYSA-N	-1	0	257.286	0.819	20	30		CCEDRM
C=C(CO)C(=O)N(CCC(=O)[O-])C[C@H]1CCCO1	ZINC001588636999	983758056	/nfs/dbraw/zinc/75/80/56/983758056.db2.gz	BZNGQJJUGGJMJO-SNVBAGLBSA-N	-1	0	257.286	0.017	20	30		CCEDRM
C=C(CO)C(=O)N1CCc2ccc(C(=O)[O-])cc2C1	ZINC001588637970	983762020	/nfs/dbraw/zinc/76/20/20/983762020.db2.gz	ZTKWVPOZZOBBOU-UHFFFAOYSA-N	-1	0	261.277	0.818	20	30		CCEDRM
C=C[C@H](C(=O)[O-])N1CCN(c2ccc(C(N)=O)cc2)CC1	ZINC001588669825	983815688	/nfs/dbraw/zinc/81/56/88/983815688.db2.gz	QQDFIOCWGCHTBA-CYBMUJFWSA-N	-1	0	289.335	0.547	20	30		CCEDRM
C=C[C@@](C)(O)CC(=O)N1C[C@H](C)[C@@](C)(C(=O)[O-])C1	ZINC001588683671	983849871	/nfs/dbraw/zinc/84/98/71/983849871.db2.gz	BPHZDEMNCPREQP-BIMULSAOSA-N	-1	0	255.314	0.883	20	30		CCEDRM
C=C[C@@](C)(O)CC(=O)N1CC[C@]2(CC(C(=O)[O-])=NO2)C1	ZINC001588683688	983850450	/nfs/dbraw/zinc/85/04/50/983850450.db2.gz	BWRLFFDHZUJHDR-OLZOCXBDSA-N	-1	0	282.296	0.146	20	30		CCEDRM
C=C[C@](C)(O)CC(=O)NC[C@H]1[C@@H](C(=O)[O-])C1(F)F	ZINC001588684803	983864142	/nfs/dbraw/zinc/86/41/42/983864142.db2.gz	YPPBLURYOSVNRM-HKPALBBZSA-N	-1	0	263.240	0.396	20	30		CCEDRM
C=C[C@H](N[C@H]1Cc2ccccc2N(C)C1=O)C(=O)[O-]	ZINC001588696410	983903113	/nfs/dbraw/zinc/90/31/13/983903113.db2.gz	NOYKNAGUOBGVIU-QWRGUYRKSA-N	-1	0	260.293	0.803	20	30		CCEDRM
C=C[C@@H](O)C(=O)OCc1noc(CCCC(=O)[O-])n1	ZINC001588706295	983930446	/nfs/dbraw/zinc/93/04/46/983930446.db2.gz	XXHACLSGKMJEGP-SSDOTTSWSA-N	-1	0	270.241	0.067	20	30		CCEDRM
C=C[C@@H](OC(=O)/C=C/COC1CCOCC1)C(=O)[O-]	ZINC001588710722	983934591	/nfs/dbraw/zinc/93/45/91/983934591.db2.gz	IBUMJNOLLJCVJD-PGLGOXFNSA-N	-1	0	270.281	0.921	20	30		CCEDRM
C=C[C@@H](OC(=O)c1ccn(CC(F)F)n1)C(=O)[O-]	ZINC001588711745	983939231	/nfs/dbraw/zinc/93/92/31/983939231.db2.gz	CSARMUDMSZZCTE-SSDOTTSWSA-N	-1	0	260.196	0.944	20	30		CCEDRM
C=C[C@H](OC(=O)c1cn(C(C)(C)C)nn1)C(=O)[O-]	ZINC001588711817	983939982	/nfs/dbraw/zinc/93/99/82/983939982.db2.gz	DQFKXSOISYLXJP-QMMMGPOBSA-N	-1	0	253.258	0.829	20	30		CCEDRM
C=C[C@H](OC(=O)c1cc2n(n1)CCCO2)C(=O)[O-]	ZINC001588712477	983944358	/nfs/dbraw/zinc/94/43/58/983944358.db2.gz	LZLYQVYAXSECRX-QMMMGPOBSA-N	-1	0	252.226	0.462	20	30		CCEDRM
C=C[C@H](OC(=O)c1nc(OC)cc(OC)n1)C(=O)[O-]	ZINC001588712686	983945843	/nfs/dbraw/zinc/94/58/43/983945843.db2.gz	MZPXTRPYWQOPDL-LURJTMIESA-N	-1	0	268.225	0.290	20	30		CCEDRM
C=C[C@H](Sc1nnc(Cn2cncn2)o1)C(=O)[O-]	ZINC001588715411	983955642	/nfs/dbraw/zinc/95/56/42/983955642.db2.gz	XCESBLPXXXCSQQ-LURJTMIESA-N	-1	0	267.270	0.441	20	30		CCEDRM
C=CC[C@@H](C(=O)[O-])N1CCO[C@H](Cn2ccnn2)C1	ZINC001588731601	984009068	/nfs/dbraw/zinc/00/90/68/984009068.db2.gz	LCTGOKASNLINNI-QWRGUYRKSA-N	-1	0	266.301	0.008	20	30		CCEDRM
C=CC[C@H](C(=O)[O-])N1CCS(=O)(=O)C(C)(C)C1	ZINC001588732220	984015629	/nfs/dbraw/zinc/01/56/29/984015629.db2.gz	WLQGYENUTBODTG-SECBINFHSA-N	-1	0	261.343	0.525	20	30		CCEDRM
C=CCC(F)(F)C(=O)N[C@@H](CCC1OCCO1)C(=O)[O-]	ZINC001588742501	984032526	/nfs/dbraw/zinc/03/25/26/984032526.db2.gz	FOYQUBXMJWWDRL-QMMMGPOBSA-N	-1	0	293.266	0.920	20	30		CCEDRM
C=CCC(F)(F)C(=O)OCC(=O)NCCC(=O)[O-]	ZINC001588743487	984037996	/nfs/dbraw/zinc/03/79/96/984037996.db2.gz	YHKOCIMWJFPDPG-UHFFFAOYSA-N	-1	0	265.212	0.332	20	30		CCEDRM
C=CC[C@@H](CO)NC(=O)N[C@H]1CC=C(C(=O)[O-])C1	ZINC001588743746	984039460	/nfs/dbraw/zinc/03/94/60/984039460.db2.gz	CKEIBSMSOIPPFE-UWVGGRQHSA-N	-1	0	254.286	0.396	20	30		CCEDRM
C=CC[C@@H](OC(=O)COCc1ccnn1C)C(=O)[O-]	ZINC001588754288	984092730	/nfs/dbraw/zinc/09/27/30/984092730.db2.gz	XCQKXZWSPWTHEK-SNVBAGLBSA-N	-1	0	268.269	0.509	20	30		CCEDRM
C=CC[C@@H](OC(=O)c1cn(C)nc1OC)C(=O)[O-]	ZINC001588758740	984107500	/nfs/dbraw/zinc/10/75/00/984107500.db2.gz	JEAPVTFORSAZPK-MRVPVSSYSA-N	-1	0	254.242	0.615	20	30		CCEDRM
C=CCC1(C(=O)O[C@@H](C)C(=O)NCC(=O)[O-])CCC1	ZINC001588764938	984124211	/nfs/dbraw/zinc/12/42/11/984124211.db2.gz	LYYYXGHXIAGPDA-VIFPVBQESA-N	-1	0	269.297	0.865	20	30		CCEDRM
C=CCC[C@@H](CO)NC(=O)c1ccnc(C(=O)[O-])c1	ZINC001588777572	984156869	/nfs/dbraw/zinc/15/68/69/984156869.db2.gz	DLLZXACCBYQSQY-JTQLQIEISA-N	-1	0	264.281	0.837	20	30		CCEDRM
C=CCC[C@H](CO)NC(=O)Cn1cc(C(=O)[O-])cn1	ZINC001588778173	984159942	/nfs/dbraw/zinc/15/99/42/984159942.db2.gz	WEZJOTHPHYXLHC-SNVBAGLBSA-N	-1	0	267.285	0.025	20	30		CCEDRM
C=CCCCS(=O)(=O)NC[C@@]1(C(=O)[O-])CCOC1	ZINC001588805656	984255297	/nfs/dbraw/zinc/25/52/97/984255297.db2.gz	JNYSQHOCAQYJCB-NSHDSACASA-N	-1	0	277.342	0.363	20	30		CCEDRM
C=CCCN(C)S(=O)(=O)c1ccc(C(=O)[O-])nc1	ZINC001588807249	984258553	/nfs/dbraw/zinc/25/85/53/984258553.db2.gz	DNOUHPIUCRQBFT-UHFFFAOYSA-N	-1	0	270.310	0.976	20	30		CCEDRM
C=CCN1CC[C@@H](N(C)C(=O)c2c[nH]c(C(=O)[O-])c2)C1=O	ZINC001588837035	984331503	/nfs/dbraw/zinc/33/15/03/984331503.db2.gz	PKVRMNQHPBJMIL-LLVKDONJSA-N	-1	0	291.307	0.572	20	30		CCEDRM
C=CCNC(=O)[C@@H](C)OC(=O)c1ccnc(C(=O)[O-])c1	ZINC001588838820	984341564	/nfs/dbraw/zinc/34/15/64/984341564.db2.gz	JSAFAPBBDDTMMA-MRVPVSSYSA-N	-1	0	278.264	0.627	20	30		CCEDRM
C=CCN1CC[C@@H](N[C@@H](C(=O)[O-])c2cccc(O)c2)C1=O	ZINC001588839056	984344330	/nfs/dbraw/zinc/34/43/30/984344330.db2.gz	NULUAIGGYVYYOV-CHWSQXEVSA-N	-1	0	290.319	0.894	20	30		CCEDRM
C=CCOC[C@H](NC(=O)CCc1cnccn1)C(=O)[O-]	ZINC001588853721	984385666	/nfs/dbraw/zinc/38/56/66/984385666.db2.gz	GJRROTDZXUFUJM-NSHDSACASA-N	-1	0	279.296	0.181	20	30		CCEDRM
C=CCOC[C@H](NC(=O)CC[N@@H+]1CC[C@@H](F)C1)C(=O)[O-]	ZINC001588854013	984388163	/nfs/dbraw/zinc/38/81/63/984388163.db2.gz	NXYOJEBFTKQWPG-MNOVXSKESA-N	-1	0	288.319	0.192	20	30		CCEDRM
C=CCOC[C@@H](NC(=O)C1(C(C)C)COC1)C(=O)[O-]	ZINC001588855170	984391065	/nfs/dbraw/zinc/39/10/65/984391065.db2.gz	AMTZDCBKRLEESS-SNVBAGLBSA-N	-1	0	271.313	0.431	20	30		CCEDRM
C=CCOC[C@@H](NC(=O)Cc1ncccc1F)C(=O)[O-]	ZINC001588856690	984401353	/nfs/dbraw/zinc/40/13/53/984401353.db2.gz	OWRAWXBVFIJQCO-LLVKDONJSA-N	-1	0	282.271	0.535	20	30		CCEDRM
C=CCOC[C@H](NC(=O)c1c(C)cc[nH]c1=O)C(=O)[O-]	ZINC001588856626	984401365	/nfs/dbraw/zinc/40/13/65/984401365.db2.gz	NXPHBYOKTFLAOJ-VIFPVBQESA-N	-1	0	280.280	0.481	20	30		CCEDRM
C=CCOC[C@H](NC(=O)c1ccc(C(=O)[O-])[nH]1)C(=O)OC	ZINC001588859197	984403834	/nfs/dbraw/zinc/40/38/34/984403834.db2.gz	CRFFDDZYZKBDRL-JTQLQIEISA-N	-1	0	296.279	0.187	20	30		CCEDRM
C=CCOC[C@@H](NC(=O)c1ccc(C(C)=O)o1)C(=O)[O-]	ZINC001588859309	984404960	/nfs/dbraw/zinc/40/49/60/984404960.db2.gz	HSSYTQBOFXHCNM-SECBINFHSA-N	-1	0	281.264	0.868	20	30		CCEDRM
C=CCOC[C@H](NC(=O)c1csc(=O)[nH]1)C(=O)[O-]	ZINC001588860045	984410001	/nfs/dbraw/zinc/41/00/01/984410001.db2.gz	HAXSFQJTGSXCOT-LURJTMIESA-N	-1	0	272.282	0.234	20	30		CCEDRM
C=CCOC[C@H](NC(=O)c1cccc(O)c1F)C(=O)[O-]	ZINC001588861688	984415981	/nfs/dbraw/zinc/41/59/81/984415981.db2.gz	JUIPQOGTVRGJTC-VIFPVBQESA-N	-1	0	283.255	0.917	20	30		CCEDRM
C=CCOC[C@@H]1NC(=O)N([C@H]2CC[C@@H](CC(=O)[O-])C2)C1=O	ZINC001588866871	984428302	/nfs/dbraw/zinc/42/83/02/984428302.db2.gz	RPAHZTGYDMNQKM-VWYCJHECSA-N	-1	0	296.323	0.753	20	30		CCEDRM
C=CCOCCn1nnnc1N1CCC[C@](C)(C(=O)[O-])C1	ZINC001588868919	984436580	/nfs/dbraw/zinc/43/65/80/984436580.db2.gz	ZIHZBYCKNFFQRO-ZDUSSCGKSA-N	-1	0	295.343	0.567	20	30		CCEDRM
C=C[C@@H]1OCC[C@H]1C(=O)N1CC[C@@]2(CC(C(=O)[O-])=NO2)C1	ZINC001588916790	984563381	/nfs/dbraw/zinc/56/33/81/984563381.db2.gz	FFGHGCYTDBNFGU-OLUVUFQESA-N	-1	0	294.307	0.410	20	30		CCEDRM
C=C[C@@H]1OCC[C@H]1NS(=O)(=O)CCCCCC(=O)[O-]	ZINC001588920017	984575872	/nfs/dbraw/zinc/57/58/72/984575872.db2.gz	RTXPYMMHQLBHMY-MNOVXSKESA-N	-1	0	291.369	0.894	20	30		CCEDRM
CC#CC[C@@H](CO)NC(=O)N[C@H]1CC[C@@H](CC(=O)[O-])C1	ZINC001588926319	984593202	/nfs/dbraw/zinc/59/32/02/984593202.db2.gz	RPERYYJSLSVKIZ-WOPDTQHZSA-N	-1	0	282.340	0.703	20	30		CCEDRM
CC#CCCNC(=O)N1CC[C@@]2(CC(C(=O)[O-])=NO2)C1	ZINC001588927435	984599330	/nfs/dbraw/zinc/59/93/30/984599330.db2.gz	YAFFFUREOUYSCK-CYBMUJFWSA-N	-1	0	279.296	0.415	20	30		CCEDRM
C[C@H](CC(=O)[O-])NC(=O)CNc1ccc(C#N)cc1	ZINC001599887979	984659396	/nfs/dbraw/zinc/65/93/96/984659396.db2.gz	NDGSMXTURPZTKE-SECBINFHSA-N	-1	0	261.281	0.950	20	30		CCEDRM
C[C@H](CO)N(C)S(=O)(=O)c1ccc(C#N)cc1C(=O)[O-]	ZINC001599892707	984715418	/nfs/dbraw/zinc/71/54/18/984715418.db2.gz	WDZJOFORQMLUIC-MRVPVSSYSA-N	-1	0	298.320	0.258	20	30		CCEDRM
C[C@H]1CN(C(=O)[C@@]2(C#N)CCCOC2)CC[C@H]1C(=O)[O-]	ZINC001599912392	985002423	/nfs/dbraw/zinc/00/24/23/985002423.db2.gz	NCUWYPXMWXVGPX-MISXGVKJSA-N	-1	0	280.324	0.876	20	30		CCEDRM
C[C@H]1CN(S(=O)(=O)CC2(C#N)CC2)C[C@]1(C)C(=O)[O-]	ZINC001599929982	985294389	/nfs/dbraw/zinc/29/43/89/985294389.db2.gz	FRWAINLPVSHHCR-ONGXEEELSA-N	-1	0	286.353	0.663	20	30		CCEDRM
C[C@@H]1CN(C(=O)N[C@H]2C[C@@H](C(=O)[O-])C2)C[C@H](C)N1CC#N	ZINC001594475440	985485573	/nfs/dbraw/zinc/48/55/73/985485573.db2.gz	KYEFTFUOZXEAFG-BKUVIOGVSA-N	-1	0	294.355	0.477	20	30		CCEDRM
CCOC[C@@H](C(=O)[O-])N(C)C(=O)CC1(C#N)CCOCC1	ZINC001596873212	985717752	/nfs/dbraw/zinc/71/77/52/985717752.db2.gz	WTIDZOOTJCWZNF-NSHDSACASA-N	-1	0	298.339	0.645	20	30		CCEDRM
CCOC[C@@H](C(=O)[O-])N(C)C(=O)c1ccc(C#N)c(O)c1	ZINC001596876057	985724600	/nfs/dbraw/zinc/72/46/00/985724600.db2.gz	SDHIKQSULSWYRK-NSHDSACASA-N	-1	0	292.291	0.826	20	30		CCEDRM
CCOC[C@@H](C)CS(=O)(=O)N(CC#N)CCC(=O)[O-]	ZINC001596888857	985798803	/nfs/dbraw/zinc/79/88/03/985798803.db2.gz	APAMJDNJBOFIQM-SNVBAGLBSA-N	-1	0	292.357	0.289	20	30		CCEDRM
C[C@H](C#N)C(=O)N1CCc2ccc(C(=O)[O-])nc2C1	ZINC001589328676	986159026	/nfs/dbraw/zinc/15/90/26/986159026.db2.gz	GLQJMUHMGRZHBD-MRVPVSSYSA-N	-1	0	259.265	0.824	20	30		CCEDRM
C[C@H](C#N)CN(C)C(=O)CCCn1ccc(C(=O)[O-])n1	ZINC001589329071	986161085	/nfs/dbraw/zinc/16/10/85/986161085.db2.gz	IFCOXHNTABIXDV-SNVBAGLBSA-N	-1	0	278.312	0.980	20	30		CCEDRM
C[C@H](C#N)CN(C)C(=O)C(=O)N1CCC[C@H]1CC(=O)[O-]	ZINC001589329893	986167940	/nfs/dbraw/zinc/16/79/40/986167940.db2.gz	VPKSKOVGRBQDQD-ZJUUUORDSA-N	-1	0	281.312	0.070	20	30		CCEDRM
C[C@H](C(=O)N(C)C(C)(C)CC(=O)[O-])n1cnc(C#N)n1	ZINC001589334698	986204038	/nfs/dbraw/zinc/20/40/38/986204038.db2.gz	HOYUUKQHDBJWLW-MRVPVSSYSA-N	-1	0	279.300	0.422	20	30		CCEDRM
C[C@@H]1CN(Cc2cnc(C(=O)[O-])cn2)C[C@@H](C)N1CC#N	ZINC001594548044	986235216	/nfs/dbraw/zinc/23/52/16/986235216.db2.gz	PSOJQIACDLJVCF-GHMZBOCLSA-N	-1	0	289.339	0.593	20	30		CCEDRM
C[C@H](C(=O)N1CCC(C#N)(C(=O)[O-])CC1)c1cnn(C)c1	ZINC001589345563	986279041	/nfs/dbraw/zinc/27/90/41/986279041.db2.gz	BPDOVJLHXXHTGH-JTQLQIEISA-N	-1	0	290.323	0.741	20	30		CCEDRM
C[C@@H](C(=O)N1CC[C@@H](C(=O)[O-])[C@@H](C)C1)n1cnc(C#N)n1	ZINC001589365106	986389035	/nfs/dbraw/zinc/38/90/35/986389035.db2.gz	OVWXSQLTPHYULT-LPEHRKFASA-N	-1	0	291.311	0.280	20	30		CCEDRM
C[C@H](C(=O)NCc1ccccc1)N(CC#N)CCC(=O)[O-]	ZINC001589416171	986651244	/nfs/dbraw/zinc/65/12/44/986651244.db2.gz	SAYFLKFMYDVIJK-GFCCVEGCSA-N	-1	0	289.335	0.992	20	30		CCEDRM
C[C@H](C(=O)N([C@@H](C)C(=O)[O-])C1CCC1)n1cnc(C#N)n1	ZINC001589468665	986933135	/nfs/dbraw/zinc/93/31/35/986933135.db2.gz	LPKBVPXRMMVPFD-BDAKNGLRSA-N	-1	0	291.311	0.565	20	30		CCEDRM
C[C@@H](C(=O)[O-])N(C1CCC1)S(=O)(=O)CC1(C#N)CC1	ZINC001589479106	987006198	/nfs/dbraw/zinc/00/61/98/987006198.db2.gz	PRSRSNQTSWEORI-VIFPVBQESA-N	-1	0	286.353	0.948	20	30		CCEDRM
CCC(C#N)(CC)C(=O)N1CC[C@@](O)(C(=O)[O-])C1	ZINC001594722409	987212634	/nfs/dbraw/zinc/21/26/34/987212634.db2.gz	OUOFQJMQZBGGRW-LBPRGKRZSA-N	-1	0	254.286	0.364	20	30		CCEDRM
CC(C)(C#N)CC(=O)N[C@@](C)(Cn1cccn1)C(=O)[O-]	ZINC001589553680	987292191	/nfs/dbraw/zinc/29/21/91/987292191.db2.gz	GDRBJXHATXSQOH-ZDUSSCGKSA-N	-1	0	278.312	0.782	20	30		CCEDRM
C[C@@H]1CN(C(=O)NCC2(C#N)CC2)C[C@@H](C(=O)[O-])O1	ZINC001599855513	989081018	/nfs/dbraw/zinc/08/10/18/989081018.db2.gz	ALJCXCGBQYDPGZ-BDAKNGLRSA-N	-1	0	267.285	0.174	20	30		CCEDRM
CC(C)(C)O[C@@H]1C[C@H]1C(=O)N(CC#N)CC(=O)[O-]	ZINC001590397006	989925185	/nfs/dbraw/zinc/92/51/85/989925185.db2.gz	BUGNCJYXSVGIKV-RKDXNWHRSA-N	-1	0	254.286	0.627	20	30		CCEDRM
CN(C)C[C@](C)(C#N)NC(=O)Cc1cccc(C(=O)[O-])c1	ZINC001598199612	990809071	/nfs/dbraw/zinc/80/90/71/990809071.db2.gz	NCSBLIKXKSVWPM-HNNXBMFYSA-N	-1	0	289.335	0.887	20	30		CCEDRM
CN(CC(C)(C)C#N)C(=O)COCc1ocnc1C(=O)[O-]	ZINC001598420046	991756711	/nfs/dbraw/zinc/75/67/11/991756711.db2.gz	SESJVUAFTRMAIG-UHFFFAOYSA-N	-1	0	295.295	0.898	20	30		CCEDRM
CN(C[C@H](O)c1cccc(C#N)c1)C(=O)[C@H]1C[C@H]1C(=O)[O-]	ZINC001598436022	991824638	/nfs/dbraw/zinc/82/46/38/991824638.db2.gz	BGCMEAVGXUDKGO-XQQFMLRXSA-N	-1	0	288.303	0.771	20	30		CCEDRM
CN(CCC#N)C[C@H](O)CNc1ccc(CC(=O)[O-])cc1	ZINC001598468781	991991017	/nfs/dbraw/zinc/99/10/17/991991017.db2.gz	KBBPYIQJBDUHDG-CQSZACIVSA-N	-1	0	291.351	0.932	20	30		CCEDRM
CN(CCC#N)S(=O)(=O)NC1(CC(=O)[O-])CCCC1	ZINC001598468932	991994379	/nfs/dbraw/zinc/99/43/79/991994379.db2.gz	MRXOODOMIRGURG-UHFFFAOYSA-N	-1	0	289.357	0.454	20	30		CCEDRM
CNc1cnc(C(=O)N2CCC(C#N)(C(=O)[O-])CC2)cn1	ZINC001598679914	994909989	/nfs/dbraw/zinc/90/99/89/994909989.db2.gz	SQEOTSOOHXBRIH-UHFFFAOYSA-N	-1	0	289.295	0.349	20	30		CCEDRM
COC(=O)[C@H](C)CN(C)c1ccc(C(=O)[O-])nc1C#N	ZINC001598689315	995039480	/nfs/dbraw/zinc/03/94/80/995039480.db2.gz	MBKPDXDOKHWTFU-MRVPVSSYSA-N	-1	0	277.280	0.897	20	30		CCEDRM
C[C@](O)(CN1CCO[C@H](c2ccc(C#N)cc2)C1)C(=O)[O-]	ZINC001593396214	995138472	/nfs/dbraw/zinc/13/84/72/995138472.db2.gz	IYENNQTYCKCRPJ-ZFWWWQNUSA-N	-1	0	290.319	0.767	20	30		CCEDRM
C[C@@](O)(CN1CCO[C@H](c2ccc(C#N)cc2)C1)C(=O)[O-]	ZINC001593396209	995138525	/nfs/dbraw/zinc/13/85/25/995138525.db2.gz	IYENNQTYCKCRPJ-DZGCQCFKSA-N	-1	0	290.319	0.767	20	30		CCEDRM
COC(=O)[C@@H](CCC(=O)[O-])N1CCO[C@](C)(C#N)C1	ZINC001598696692	995150765	/nfs/dbraw/zinc/15/07/65/995150765.db2.gz	BSVDVWDDNKUTMW-BXKDBHETSA-N	-1	0	270.285	0.007	20	30		CCEDRM
COC(=O)C1CCC(NC(=O)C#CC2CC2)(C(=O)[O-])CC1	ZINC001598783376	996007980	/nfs/dbraw/zinc/00/79/80/996007980.db2.gz	CIBQVYRAESZWBJ-UHFFFAOYSA-N	-1	0	293.319	0.703	20	30		CCEDRM
COC(=O)[C@H]1CN(C(=O)CCCCC#N)C[C@H]1C(=O)[O-]	ZINC001598810870	996230451	/nfs/dbraw/zinc/23/04/51/996230451.db2.gz	MGKANVKUTYQKLA-ZJUUUORDSA-N	-1	0	282.296	0.403	20	30		CCEDRM
COC1([C@H](C(=O)[O-])N2CC[C@](F)(C#N)C2)CCC1	ZINC001599083929	997060912	/nfs/dbraw/zinc/06/09/12/997060912.db2.gz	ZJYRLFMTLYPEAQ-ONGXEEELSA-N	-1	0	256.277	0.946	20	30		CCEDRM
COC(=O)[C@@H]1CC[C@@H]1C(=O)N(CC#N)CCC(=O)[O-]	ZINC001598896217	997089536	/nfs/dbraw/zinc/08/95/36/997089536.db2.gz	YEEWTZXHWIBORJ-DTWKUNHWSA-N	-1	0	268.269	0.012	20	30		CCEDRM
COC[C@@]1(C(=O)[O-])CCCN1C(=O)c1cccc(C#N)n1	ZINC001599192216	997141947	/nfs/dbraw/zinc/14/19/47/997141947.db2.gz	KWDRWOUYQQSQMC-CQSZACIVSA-N	-1	0	289.291	0.659	20	30		CCEDRM
COc1cc(CN2CCC[C@H](O)[C@H]2C(=O)[O-])ccc1C#N	ZINC001599406828	997323234	/nfs/dbraw/zinc/32/32/34/997323234.db2.gz	DEZRNRNKQHNLEE-JSGCOSHPSA-N	-1	0	290.319	0.977	20	30		CCEDRM
COCC[C@@H](/N=C/c1ccc(O)c(O)c1O)C(=O)[O-]	ZINC001599213816	997548368	/nfs/dbraw/zinc/54/83/68/997548368.db2.gz	RJZGZUPXTXMPSM-VVESDKHQSA-N	-1	0	269.253	0.712	20	30		CCEDRM
CON=CC(=O)N1CCC[C@H](C(C)(C)C(=O)[O-])C1	ZINC001599320576	997573701	/nfs/dbraw/zinc/57/37/01/997573701.db2.gz	QNBUVLFUDWOSCW-VIFPVBQESA-N	-1	0	256.302	0.968	20	30		CCEDRM
COC(=O)c1cc(CN(CC#N)CCC(=O)[O-])cn1C	ZINC001598929528	997719841	/nfs/dbraw/zinc/71/98/41/997719841.db2.gz	OKNOCFZAOBLJRC-UHFFFAOYSA-N	-1	0	279.296	0.612	20	30		CCEDRM
COCCCNC(=S)NN=Cc1cc(C)c(C(=O)[O-])[nH]1	ZINC001599227273	997782699	/nfs/dbraw/zinc/78/26/99/997782699.db2.gz	ULLMPWJKBZTVKZ-UHFFFAOYSA-N	-1	0	298.368	0.856	20	30		CCEDRM
CO[C@@H]1CN(C(=O)c2cc(C#N)c[nH]2)[C@](C)(C(=O)[O-])C1	ZINC001599128512	997897096	/nfs/dbraw/zinc/89/70/96/997897096.db2.gz	ABUOPWUJOXGRJF-ZANVPECISA-N	-1	0	277.280	0.591	20	30		CCEDRM
COCCN(CCC(=O)[O-])C(=O)Cc1ccc(C#N)nc1	ZINC001599235164	997931985	/nfs/dbraw/zinc/93/19/85/997931985.db2.gz	URQFIZADRVZLKP-UHFFFAOYSA-N	-1	0	291.307	0.445	20	30		CCEDRM
COCC#CC(=O)NCCc1ccc(C(=O)[O-])cc1OC	ZINC001599138424	998085199	/nfs/dbraw/zinc/08/51/99/998085199.db2.gz	LIVXAHKBASGFGH-UHFFFAOYSA-N	-1	0	291.303	0.702	20	30		CCEDRM
COCC#CC(=O)Nc1ccc(C(=O)[O-])c(OC)c1	ZINC001599139007	998094118	/nfs/dbraw/zinc/09/41/18/998094118.db2.gz	QWKYILWJVIXOIY-UHFFFAOYSA-N	-1	0	263.249	0.982	20	30		CCEDRM
COc1cc(C(=O)NCC[C@H](O)C(=O)[O-])ccc1C#N	ZINC001599353764	998142427	/nfs/dbraw/zinc/14/24/27/998142427.db2.gz	NRNOAXNYRITYPZ-JTQLQIEISA-N	-1	0	278.264	0.132	20	30		CCEDRM
COc1ccc(CN(CC#N)CC(=O)[O-])cc1C#N	ZINC001599559075	998153168	/nfs/dbraw/zinc/15/31/68/998153168.db2.gz	RZRLBKFMEMQPIC-UHFFFAOYSA-N	-1	0	259.265	0.977	20	30		CCEDRM
C[C@H]1[C@H](C(=O)[O-])CCN1C(=O)c1cccc(C#CCO)c1	ZINC001594159735	998594204	/nfs/dbraw/zinc/59/42/04/998594204.db2.gz	UXJYCTVNGWOCRT-SMDDNHRTSA-N	-1	0	287.315	0.966	20	30		CCEDRM
COC[C@H](NC(=O)c1cc(O)cc(C#N)c1)C(=O)[O-]	ZINC001599171533	998615734	/nfs/dbraw/zinc/61/57/34/998615734.db2.gz	HQQBFLLHPAUZSE-JTQLQIEISA-N	-1	0	264.237	0.093	20	30		CCEDRM
COC(OC)[C@H](C)NC(=O)N1CCC(C#N)(C(=O)[O-])CC1	ZINC001599061771	999270923	/nfs/dbraw/zinc/27/09/23/999270923.db2.gz	NYMUFDSLFWRGPE-VIFPVBQESA-N	-1	0	299.327	0.394	20	30		CCEDRM
N#C[C@@H]1CN(C(=O)N[C@H]2CC[C@@H](C(=O)[O-])C2)CCO1	ZINC000093937159	349557808	/nfs/dbraw/zinc/55/78/08/349557808.db2.gz	IFZTXGVJUHXWNL-KXUCPTDWSA-N	-1	0	267.285	0.174	20	30		CCEDRM
CCn1cc(C(=O)Nc2nc(C#N)c(C#N)[n-]2)c(C)n1	ZINC000600816299	362068261	/nfs/dbraw/zinc/06/82/61/362068261.db2.gz	OFFVSWSAPFAPOI-UHFFFAOYSA-N	-1	0	269.268	0.930	20	30		CCEDRM
C=C(C)C[C@@H](NC(=O)c1cc(=O)n(C)[n-]1)C(=O)OC	ZINC000601783987	362390891	/nfs/dbraw/zinc/39/08/91/362390891.db2.gz	FVJBLOWRYYLQAU-SECBINFHSA-N	-1	0	267.285	0.363	20	30		CCEDRM
CC(=O)Nc1c(C)[n-]n(Cc2cccc(C#N)c2)c1=O	ZINC000601944644	362431754	/nfs/dbraw/zinc/43/17/54/362431754.db2.gz	NPGJVMLWUQWVAU-ZDUSSCGKSA-N	-1	0	270.292	0.781	20	30		CCEDRM
C=C(C)CN(CC)C(=O)Cn1cc(C#N)c(=O)[n-]c1=O	ZINC000602060041	362469669	/nfs/dbraw/zinc/46/96/69/362469669.db2.gz	RKUJMVRXGIJKTM-UHFFFAOYSA-N	-1	0	276.296	0.245	20	30		CCEDRM
CCCN(C)C(=O)CCn1cc(C#N)c(=O)[n-]c1=O	ZINC000602084913	362477474	/nfs/dbraw/zinc/47/74/74/362477474.db2.gz	IGIZTBWPOKFUPF-UHFFFAOYSA-N	-1	0	264.285	0.079	20	30		CCEDRM
CC(C)N(C(=O)Cn1cc(C#N)c(=O)[n-]c1=O)C1CC1	ZINC000602095660	362483365	/nfs/dbraw/zinc/48/33/65/362483365.db2.gz	LPDTUKKSUIUYAX-UHFFFAOYSA-N	-1	0	276.296	0.220	20	30		CCEDRM
C[C@@H]1CC[C@@H](C)N1C(=O)Cn1cc(C#N)c(=O)[n-]c1=O	ZINC000602122487	362504881	/nfs/dbraw/zinc/50/48/81/362504881.db2.gz	ZTYMUTLOVBLDQE-RKDXNWHRSA-N	-1	0	276.296	0.220	20	30		CCEDRM
Cc1[n-][nH]c(=NC(=O)C(C)(C)CN2CCOCC2)c1C#N	ZINC000602187893	362548245	/nfs/dbraw/zinc/54/82/45/362548245.db2.gz	HMIYAUYHRUICGN-UHFFFAOYSA-N	-1	0	291.355	0.309	20	30		CCEDRM
Cc1c(C#N)c(=NC(=O)[C@@H]2C[C@@H](C)O[C@H]2C)[n-]n1C	ZINC000602347553	362594019	/nfs/dbraw/zinc/59/40/19/362594019.db2.gz	HZGIDGCMVGCDFI-FKTZTGRPSA-N	-1	0	262.313	0.774	20	30		CCEDRM
CCc1n[n-]c(=NC(=O)N2CCN(CCC#N)CC2)s1	ZINC000602763748	362789084	/nfs/dbraw/zinc/78/90/84/362789084.db2.gz	SJNZUAVCYRNYNE-UHFFFAOYSA-N	-1	0	294.384	0.586	20	30		CCEDRM
Cc1nc(C(=O)N[C@@]2(CC(=O)[O-])CCOC2)ccc1C#N	ZINC000262866717	137054647	/nfs/dbraw/zinc/05/46/47/137054647.db2.gz	FTVZCSQCNKYKQH-CQSZACIVSA-N	-1	0	289.291	0.625	20	30		CCEDRM
Cc1ncc(S(=O)(=O)[N-]c2cccnn2)cc1C#N	ZINC000311982719	137076577	/nfs/dbraw/zinc/07/65/77/137076577.db2.gz	ORGNEGFABWEALQ-UHFFFAOYSA-N	-1	0	275.293	0.853	20	30		CCEDRM
C[C@H]1SCC[C@@H]1NC(=O)N=c1[n-]n(C)cc1C#N	ZINC000602889673	362867300	/nfs/dbraw/zinc/86/73/00/362867300.db2.gz	ZDNUXNYHPSWCEJ-APPZFPTMSA-N	-1	0	265.342	0.729	20	30		CCEDRM
CO[C@@H]1CCN(C(=O)N=c2[n-]n(C)cc2C#N)C[C@H]1C	ZINC000602880836	362860553	/nfs/dbraw/zinc/86/05/53/362860553.db2.gz	MVWOGEGGRXQBRW-MWLCHTKSSA-N	-1	0	277.328	0.602	20	30		CCEDRM
CCN(CC(=O)[O-])S(=O)(=O)c1cc(C#N)ccc1C	ZINC000070535766	348892098	/nfs/dbraw/zinc/89/20/98/348892098.db2.gz	GUMJWWSHLLGXMB-UHFFFAOYSA-N	-1	0	282.321	0.962	20	30		CCEDRM
C[C@H](NC(=O)c1n[nH]c(=O)[n-]1)c1cccc(C#N)c1	ZINC000075504593	349035703	/nfs/dbraw/zinc/03/57/03/349035703.db2.gz	ZRXIGYTXRUXYOF-ZETCQYMHSA-N	-1	0	257.253	0.461	20	30		CCEDRM
N#Cc1ccc2nc(NCCc3nc(=N)[n-]o3)ccc2c1	ZINC000538978385	290891413	/nfs/dbraw/zinc/89/14/13/290891413.db2.gz	XRJGYDLYQOBEMQ-UHFFFAOYSA-N	-1	0	280.291	0.979	20	30		CCEDRM
C=CC[C@H](CO)NC(=O)c1cccc([N+](=O)[O-])c1[O-]	ZINC000185767065	351457527	/nfs/dbraw/zinc/45/75/27/351457527.db2.gz	NJHKQIJSWLXYOA-MRVPVSSYSA-N	-1	0	266.253	0.967	20	30		CCEDRM
Cn1cccc1CNS(=O)(=O)c1cccnc1C#N	ZINC000236060646	352191003	/nfs/dbraw/zinc/19/10/03/352191003.db2.gz	JEWRACVWMFGRJK-UHFFFAOYSA-N	-1	0	276.321	0.770	20	30		CCEDRM
CC#CC[C@H](NS(=O)(=O)CCC1CC1)C(=O)[O-]	ZINC000274976792	353176934	/nfs/dbraw/zinc/17/69/34/353176934.db2.gz	JEPMXBGBVPQXQR-JTQLQIEISA-N	-1	0	259.327	0.573	20	30		CCEDRM
C[C@@H]1CCCN(C(=O)C(=O)Nc2nc(C#N)c(C#N)[n-]2)C1	ZINC000282839956	353456244	/nfs/dbraw/zinc/45/62/44/353456244.db2.gz	KPBICUNLIUDYKZ-MRVPVSSYSA-N	-1	0	286.295	0.350	20	30		CCEDRM
CC(C)(CNS(=O)(=O)c1ccc(C#N)o1)C(=O)[O-]	ZINC000287073224	353626344	/nfs/dbraw/zinc/62/63/44/353626344.db2.gz	BPJPMWUJLHOOJK-UHFFFAOYSA-N	-1	0	272.282	0.540	20	30		CCEDRM
CC(C)[C@H](CC(=O)[O-])NS(=O)(=O)c1cncc(C#N)c1	ZINC000290465426	353728050	/nfs/dbraw/zinc/72/80/50/353728050.db2.gz	DXCLFXMGSRLSCC-NSHDSACASA-N	-1	0	297.336	0.731	20	30		CCEDRM
C[C@@H](C(=O)N(C)C)S(=O)(=O)[N-]c1ccc(C#N)c(F)c1	ZINC000290505108	353731454	/nfs/dbraw/zinc/73/14/54/353731454.db2.gz	AHYHCYQQZNBBCB-QMMMGPOBSA-N	-1	0	299.327	0.916	20	30		CCEDRM
N#Cc1ccc(NC(=O)C(=O)[N-]OCC2CC2)cc1	ZINC000293174777	353794998	/nfs/dbraw/zinc/79/49/98/353794998.db2.gz	AEQVOQVSHQEQJC-UHFFFAOYSA-N	-1	0	259.265	0.955	20	30		CCEDRM
COc1cncc(S(=O)(=O)[N-]c2nn(C)cc2C#N)c1	ZINC000337169242	355276283	/nfs/dbraw/zinc/27/62/83/355276283.db2.gz	DNUUMRDBCXPFNL-UHFFFAOYSA-N	-1	0	293.308	0.496	20	30		CCEDRM
Cn1nccc1S(=O)(=O)[N-]c1cc(C#N)ccn1	ZINC000352875084	356100757	/nfs/dbraw/zinc/10/07/57/356100757.db2.gz	GYTJCUXFBCRZRC-UHFFFAOYSA-N	-1	0	263.282	0.488	20	30		CCEDRM
CC(=O)N1CCC[C@H]1C(=O)N=c1[n-]n(C(C)C)cc1C#N	ZINC000361913227	138037917	/nfs/dbraw/zinc/03/79/17/138037917.db2.gz	IEZWPEBWSMCXPM-LBPRGKRZSA-N	-1	0	289.339	0.707	20	30		CCEDRM
C=CCCOCC(=O)N[C@H](Cc1ccncc1)C(=O)[O-]	ZINC000655598077	412627839	/nfs/dbraw/zinc/62/78/39/412627839.db2.gz	ATKFGOJULCFLEC-GFCCVEGCSA-N	-1	0	278.308	0.786	20	30		CCEDRM
Cc1cc(C#N)cnc1C(=O)NC1(c2nnn[n-]2)CC1	ZINC000560411104	291100182	/nfs/dbraw/zinc/10/01/82/291100182.db2.gz	ZDXAVXTYVHLXRU-UHFFFAOYSA-N	-1	0	269.268	0.194	20	30		CCEDRM
N#Cc1cc([N+](=O)[O-])cnc1[N-]c1ccn(CCO)n1	ZINC000610277290	363547777	/nfs/dbraw/zinc/54/77/77/363547777.db2.gz	NVBQWJBPDJKQCI-UHFFFAOYSA-N	-1	0	274.240	0.216	20	30		CCEDRM
COc1n[n-]c(=NC(=O)NC2CCN(CC#N)CC2)s1	ZINC000619799663	366355833	/nfs/dbraw/zinc/35/58/33/366355833.db2.gz	ZMMWYMRWYHGHAO-UHFFFAOYSA-N	-1	0	296.356	0.078	20	30		CCEDRM
Cn1cc(C#N)c(=NC(=O)N2CCN(CC(F)F)CC2)[n-]1	ZINC000610528111	363572854	/nfs/dbraw/zinc/57/28/54/363572854.db2.gz	OJEHTSBRRDSQFA-UHFFFAOYSA-N	-1	0	298.297	0.128	20	30		CCEDRM
CO[C@H](C)CCNC(=O)N=c1[n-]n(C)cc1C#N	ZINC000610561111	363576403	/nfs/dbraw/zinc/57/64/03/363576403.db2.gz	PFAWIJONYZQMMQ-MRVPVSSYSA-N	-1	0	251.290	0.260	20	30		CCEDRM
Cn1cc(CN=c2[n-]ncn2-c2cccnc2)cc1C#N	ZINC000376744557	357498127	/nfs/dbraw/zinc/49/81/27/357498127.db2.gz	UTSCXIIXXGXLAM-UHFFFAOYSA-N	-1	0	279.307	0.906	20	30		CCEDRM
C[C@H](CO[C@@H]1CCOC1)NC(=O)N=c1[n-]n(C)cc1C#N	ZINC000610655675	363591588	/nfs/dbraw/zinc/59/15/88/363591588.db2.gz	GSDFSGOPRIGHMP-MWLCHTKSSA-N	-1	0	293.327	0.029	20	30		CCEDRM
C=C(C)[C@@H]1OCC[C@H]1CNC(=O)NC[C@@H](C)C(=O)[O-]	ZINC000655875094	412673333	/nfs/dbraw/zinc/67/33/33/412673333.db2.gz	FDMWWURJKQESTR-VWYCJHECSA-N	-1	0	270.329	0.988	20	30		CCEDRM
C=C[C@@H]1OCCC[C@H]1N=c1ccc(C(=O)NC)n[n-]1	ZINC000571732467	358925131	/nfs/dbraw/zinc/92/51/31/358925131.db2.gz	JOCJXYBEQOJZIU-KOLCDFICSA-N	-1	0	262.313	0.404	20	30		CCEDRM
C=C[C@@H]1OCC[C@H]1CNC(=O)C1(C(=O)[O-])CCOCC1	ZINC000571764089	358925655	/nfs/dbraw/zinc/92/56/55/358925655.db2.gz	SCNKSAQPOIKFRJ-QWRGUYRKSA-N	-1	0	283.324	0.575	20	30		CCEDRM
CC(C)(C)c1noc(Cn2c(=O)[n-]cc(C#N)c2=O)n1	ZINC000573801679	359000706	/nfs/dbraw/zinc/00/07/06/359000706.db2.gz	JKUKIXRHKRBTCD-UHFFFAOYSA-N	-1	0	275.268	0.137	20	30		CCEDRM
Cn1cc(C#N)c(=NC(=O)N[C@@H](CO)C2CCCC2)[n-]1	ZINC000589332550	359379158	/nfs/dbraw/zinc/37/91/58/359379158.db2.gz	LCJVALXEQICFMP-NSHDSACASA-N	-1	0	277.328	0.386	20	30		CCEDRM
CCN1C[C@@H](C(=O)N=c2[nH][n-]c(C3CC3)c2C#N)CC1=O	ZINC000588766350	359335772	/nfs/dbraw/zinc/33/57/72/359335772.db2.gz	AJNZFRKOWBIHEW-VIFPVBQESA-N	-1	0	287.323	0.388	20	30		CCEDRM
C[C@@H](C#N)CN(C(=O)N=c1[n-]n(C)cc1C#N)C1CC1	ZINC000611097974	363659464	/nfs/dbraw/zinc/65/94/64/363659464.db2.gz	REAGYBBBXLUPHY-VIFPVBQESA-N	-1	0	272.312	0.870	20	30		CCEDRM
CC[C@H](NC(=O)N=c1[n-]n(C)cc1C#N)C(F)F	ZINC000590819888	359527637	/nfs/dbraw/zinc/52/76/37/359527637.db2.gz	ZGTAYCFPIBDUIG-ZETCQYMHSA-N	-1	0	257.244	0.879	20	30		CCEDRM
C[C@H]1CC[C@@H](CNC(=O)N=c2[n-]n(C)cc2C#N)O1	ZINC000590822326	359527663	/nfs/dbraw/zinc/52/76/63/359527663.db2.gz	NRHVVUZTHXKBNQ-WPRPVWTQSA-N	-1	0	263.301	0.403	20	30		CCEDRM
CC(C)Oc1ccc(=NC(=O)N2CC(C#N)C2)[n-]n1	ZINC000590829970	359527968	/nfs/dbraw/zinc/52/79/68/359527968.db2.gz	MRBCITGEAXZYBV-UHFFFAOYSA-N	-1	0	261.285	0.673	20	30		CCEDRM
C[C@H](CN(C)C(=O)C(=O)N1CCC[C@](C)(C#N)C1)C(=O)[O-]	ZINC000591568475	359599618	/nfs/dbraw/zinc/59/96/18/359599618.db2.gz	HJFSABILOCRHNJ-QMTHXVAHSA-N	-1	0	295.339	0.318	20	30		CCEDRM
N#C[C@H]1CC[C@@H](NC(=O)C(=O)NCCCCC(=O)[O-])C1	ZINC000591692032	359640965	/nfs/dbraw/zinc/64/09/65/359640965.db2.gz	INNUHSAMUMDFFP-VHSXEESVSA-N	-1	0	281.312	0.166	20	30		CCEDRM
Cc1ccc(NCC2(C(=O)[O-])CCOCC2)nc1C#N	ZINC000592418937	359834527	/nfs/dbraw/zinc/83/45/27/359834527.db2.gz	GDXASVNIVNESGY-UHFFFAOYSA-N	-1	0	275.308	0.977	20	30		CCEDRM
CC(C)(CC#N)CNC(=O)C(=O)N[C@@H]1CC[C@H](C(=O)[O-])C1	ZINC000592440433	359841986	/nfs/dbraw/zinc/84/19/86/359841986.db2.gz	NPQZFDZFJAPYED-VHSXEESVSA-N	-1	0	295.339	0.412	20	30		CCEDRM
N#CCCCS(=O)(=O)N1C[C@@H](C(=O)[O-])[C@H](C(F)F)C1	ZINC000592447587	359843077	/nfs/dbraw/zinc/84/30/77/359843077.db2.gz	VNUVCEXWVVGRMP-HTQZYQBOSA-N	-1	0	296.295	0.518	20	30		CCEDRM
C[C@@H](CO)CCCNC(=O)N=c1[n-]n(C)cc1C#N	ZINC000611162111	363668335	/nfs/dbraw/zinc/66/83/35/363668335.db2.gz	WEGVZMJWLPBCHK-SECBINFHSA-N	-1	0	265.317	0.244	20	30		CCEDRM
CCc1ocnc1C(=O)N=c1[n-]n(C)c(C)c1C#N	ZINC000592645895	359908270	/nfs/dbraw/zinc/90/82/70/359908270.db2.gz	JFEOHUYQSUDNFZ-UHFFFAOYSA-N	-1	0	259.269	0.825	20	30		CCEDRM
CC[C@H](CNC(=O)C1(C#N)CCOCC1)C(=O)[O-]	ZINC000592952543	359993925	/nfs/dbraw/zinc/99/39/25/359993925.db2.gz	JFUNGBFKZLNNAX-SECBINFHSA-N	-1	0	254.286	0.534	20	30		CCEDRM
C[C@@H](CC#N)N(C)S(=O)(=O)N1CCC[C@@]1(C)C(=O)[O-]	ZINC000593270399	360058686	/nfs/dbraw/zinc/05/86/86/360058686.db2.gz	QYLTXTPRSDZWMH-ONGXEEELSA-N	-1	0	289.357	0.404	20	30		CCEDRM
C[C@@H](C(=O)[O-])C1(NS(=O)(=O)c2cncc(C#N)c2)CC1	ZINC000593273088	360059866	/nfs/dbraw/zinc/05/98/66/360059866.db2.gz	GASCRFFJADOANZ-QMMMGPOBSA-N	-1	0	295.320	0.485	20	30		CCEDRM
C[C@@H](C#N)CN(C)C(=O)C(=O)Nc1cccnc1C(=O)[O-]	ZINC000595238427	360454565	/nfs/dbraw/zinc/45/45/65/360454565.db2.gz	RZTMLKVOHJOIHL-QMMMGPOBSA-N	-1	0	290.279	0.336	20	30		CCEDRM
N#CCCCNC(=O)N1C[C@@H]2COC[C@]2(C(=O)[O-])C1	ZINC000595261359	360464351	/nfs/dbraw/zinc/46/43/51/360464351.db2.gz	XUPJKXMXXSVSJJ-BXKDBHETSA-N	-1	0	267.285	0.033	20	30		CCEDRM
CC(C)[C@](C)(C#N)NC(=O)[C@H](C)N(C)Cc1n[n-]c(=O)o1	ZINC000595547781	360575962	/nfs/dbraw/zinc/57/59/62/360575962.db2.gz	RWRDXGJGDHANMA-ZANVPECISA-N	-1	0	295.343	0.650	20	30		CCEDRM
N#Cc1ccc(S(=O)(=O)NC[C@@H](C(=O)[O-])C2CCC2)o1	ZINC000596025323	360777423	/nfs/dbraw/zinc/77/74/23/360777423.db2.gz	UKUTZXSOIYHFDZ-SNVBAGLBSA-N	-1	0	298.320	0.930	20	30		CCEDRM
C=CCCOCC(=O)N=c1cc(C(=O)OCC)[n-][nH]1	ZINC000611591404	363747049	/nfs/dbraw/zinc/74/70/49/363747049.db2.gz	USLOKIGALPQJMY-UHFFFAOYSA-N	-1	0	267.285	0.540	20	30		CCEDRM
CO[C@@H]1CC[C@@H](C(=O)N=c2[n-]n(C)c(C)c2C#N)C1	ZINC000598843104	361524877	/nfs/dbraw/zinc/52/48/77/361524877.db2.gz	JRINWKXIIYMCDH-NXEZZACHSA-N	-1	0	262.313	0.776	20	30		CCEDRM
C[C@@H](C(=O)N=c1[nH][n-]cc1C#N)N(C)CC(F)(F)F	ZINC000598930745	361533110	/nfs/dbraw/zinc/53/31/10/361533110.db2.gz	JNSFCFQJDSOCFR-LURJTMIESA-N	-1	0	275.234	0.524	20	30		CCEDRM
CCN(CC#N)C(=O)c1ccc([N-]S(C)(=O)=O)nc1	ZINC000599155307	361590417	/nfs/dbraw/zinc/59/04/17/361590417.db2.gz	YGONGKDGHPWFBW-UHFFFAOYSA-N	-1	0	282.325	0.439	20	30		CCEDRM
C[C@H]1OCC[C@]1(C)NC(=O)N=c1[n-]n(C)cc1C#N	ZINC000612313484	363883452	/nfs/dbraw/zinc/88/34/52/363883452.db2.gz	KFSAADBCZPMZKD-PELKAZGASA-N	-1	0	263.301	0.403	20	30		CCEDRM
Cn1cc(C#N)c(=NC(=O)N2CCC[C@@]2(C)CO)[n-]1	ZINC000612752046	364008147	/nfs/dbraw/zinc/00/81/47/364008147.db2.gz	OCACSPLGVQYGOY-LBPRGKRZSA-N	-1	0	263.301	0.092	20	30		CCEDRM
C=CCN(CC=C)C(=O)C(=O)NC[C@H](C(=O)[O-])C(C)C	ZINC000656009593	412731635	/nfs/dbraw/zinc/73/16/35/412731635.db2.gz	DKRXJPLHJOHTAN-NSHDSACASA-N	-1	0	282.340	0.660	20	30		CCEDRM
C=C(C)C[C@H](NC(C)=O)C(=O)N(C)C[C@H](C)c1nnn[n-]1	ZINC000613473208	364260675	/nfs/dbraw/zinc/26/06/75/364260675.db2.gz	XYVBZGUGAQFWBI-ONGXEEELSA-N	-1	0	294.359	0.233	20	30		CCEDRM
CCn1nccc1S(=O)(=O)[N-]c1ncc(C#N)s1	ZINC000613647980	364324344	/nfs/dbraw/zinc/32/43/44/364324344.db2.gz	VMRLOUOYFUNSGT-UHFFFAOYSA-N	-1	0	283.338	0.454	20	30		CCEDRM
CCO[C@@H]1C[C@@H](NC(=O)N=c2[n-]n(C)cc2C#N)[C@@H]1OC	ZINC000614325637	364570916	/nfs/dbraw/zinc/57/09/16/364570916.db2.gz	AIEQGTSFYDIXTD-MXWKQRLJSA-N	-1	0	293.327	0.028	20	30		CCEDRM
C=C(C)CS(=O)(=O)N[C@@H](C[C@@H](OC)C1CC1)C(=O)[O-]	ZINC000656166224	412755981	/nfs/dbraw/zinc/75/59/81/412755981.db2.gz	FTOHEFQSFDPMEY-WDEREUQCSA-N	-1	0	291.369	0.750	20	30		CCEDRM
C=CC[C@@H](CO)NC(=O)c1ccc([N-]S(C)(=O)=O)nc1	ZINC000626448902	368548057	/nfs/dbraw/zinc/54/80/57/368548057.db2.gz	PZZGSUDTMOMDQB-JTQLQIEISA-N	-1	0	299.352	0.120	20	30		CCEDRM
C=CC[C@H](CO)NS(=O)(=O)c1cc([O-])cc(F)c1	ZINC000632207482	370922148	/nfs/dbraw/zinc/92/21/48/370922148.db2.gz	JCLRJDOKFCOTOY-SECBINFHSA-N	-1	0	275.301	0.747	20	30		CCEDRM
C=CC(C)(C)CCNC(=O)C(=O)N(C)C[C@@H](C)C(=O)[O-]	ZINC000627280564	368943410	/nfs/dbraw/zinc/94/34/10/368943410.db2.gz	KACTVTZJMVQOHZ-SNVBAGLBSA-N	-1	0	284.356	0.884	20	30		CCEDRM
C=CCCCS(=O)(=O)N1C[C@@H](OC)C[C@@]1(C)C(=O)[O-]	ZINC000629307363	369627802	/nfs/dbraw/zinc/62/78/02/369627802.db2.gz	CVYBEKHHUUFNII-JQWIXIFHSA-N	-1	0	291.369	0.846	20	30		CCEDRM
C=CC[C@@H]1CCN(C(=O)C(=O)N2CCC[C@H](C(=O)[O-])C2)C1	ZINC000629779905	369773425	/nfs/dbraw/zinc/77/34/25/369773425.db2.gz	LDYOJLDUTFWJIN-NEPJUHHUSA-N	-1	0	294.351	0.734	20	30		CCEDRM
C=CCOC[C@@H](NC(=O)c1oc(C)nc1C)C(=O)[O-]	ZINC000630185735	369996322	/nfs/dbraw/zinc/99/63/22/369996322.db2.gz	FTNFUVBGVGUSTI-SECBINFHSA-N	-1	0	268.269	0.677	20	30		CCEDRM
C=C(C)C[C@@H](NC(=O)COc1cccnc1)C(=O)[O-]	ZINC000630320719	370046014	/nfs/dbraw/zinc/04/60/14/370046014.db2.gz	AQIDDGWHEJFVTL-LLVKDONJSA-N	-1	0	264.281	0.996	20	30		CCEDRM
C=C(C)[C@H]1OCC[C@@H]1CNC(=O)C1(C(=O)[O-])CC1	ZINC000630302810	370037373	/nfs/dbraw/zinc/03/73/73/370037373.db2.gz	HWJHKCUFUQXEDL-NXEZZACHSA-N	-1	0	253.298	0.949	20	30		CCEDRM
C=C(C)C[C@@H](NC(=O)c1cc(C)nn1C)C(=O)[O-]	ZINC000630316634	370044630	/nfs/dbraw/zinc/04/46/30/370044630.db2.gz	FUCMZJNHMBDOMT-SECBINFHSA-N	-1	0	251.286	0.878	20	30		CCEDRM
C=C(C)C[C@@H](NS(=O)(=O)C1(COC)CC1)C(=O)[O-]	ZINC000630437337	370115677	/nfs/dbraw/zinc/11/56/77/370115677.db2.gz	DBDYFKQUNDDBEA-SECBINFHSA-N	-1	0	277.342	0.504	20	30		CCEDRM
C=C(C)C[C@H](NS(=O)(=O)N1CCCC1)C(=O)[O-]	ZINC000630438217	370116336	/nfs/dbraw/zinc/11/63/36/370116336.db2.gz	NIAFRQRPIGJBRM-VIFPVBQESA-N	-1	0	262.331	0.336	20	30		CCEDRM
C=C(C)CS(=O)(=O)N[C@H](C(=O)[O-])[C@@H]1CCCO1	ZINC000630421812	370106825	/nfs/dbraw/zinc/10/68/25/370106825.db2.gz	IBYMAKBJVJYBSO-IUCAKERBSA-N	-1	0	263.315	0.114	20	30		CCEDRM
C=C(C)C[C@H](NC(=O)N[C@H](C)Cn1cccn1)C(=O)[O-]	ZINC000630471246	370128878	/nfs/dbraw/zinc/12/88/78/370128878.db2.gz	QDFMFOCNGHYBGH-MNOVXSKESA-N	-1	0	280.328	0.990	20	30		CCEDRM
C=C(C)C[C@@H](NC(=O)NC[C@@H]1CCCO1)C(=O)[O-]	ZINC000630470152	370129042	/nfs/dbraw/zinc/12/90/42/370129042.db2.gz	SUYIWTRORRMLET-VHSXEESVSA-N	-1	0	256.302	0.884	20	30		CCEDRM
C=CCCNC(=O)N1C[C@H](OC)C[C@]1(C)C(=O)[O-]	ZINC000630481007	370130143	/nfs/dbraw/zinc/13/01/43/370130143.db2.gz	CKWKWFLNFXFUEP-BXKDBHETSA-N	-1	0	256.302	0.836	20	30		CCEDRM
C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)NCCOCC(=O)[O-]	ZINC000635513758	372576398	/nfs/dbraw/zinc/57/63/98/372576398.db2.gz	CXTLZICFGZRSCP-PWSUYJOCSA-N	-1	0	286.328	0.368	20	30		CCEDRM
C=C[C@H]1CCCCN1C(=O)NCCOCC(=O)[O-]	ZINC000635525168	372589106	/nfs/dbraw/zinc/58/91/06/372589106.db2.gz	WGIGTRHRNFJULK-JTQLQIEISA-N	-1	0	256.302	0.838	20	30		CCEDRM
C=CCOCCCNC(=O)[C@H]1CC[C@@H](C(=O)[O-])O1	ZINC000656486463	412812906	/nfs/dbraw/zinc/81/29/06/412812906.db2.gz	NDBNPJRRQZXODI-ZJUUUORDSA-N	-1	0	257.286	0.328	20	30		CCEDRM
C=CCOCCCNC(=O)N[C@@H](CCF)C(=O)[O-]	ZINC000656595102	412833368	/nfs/dbraw/zinc/83/33/68/412833368.db2.gz	BVXXZCVDHPFGLO-VIFPVBQESA-N	-1	0	262.281	0.691	20	30		CCEDRM
C=CCCS(=O)(=O)NC[C@H](CC(=O)[O-])C1CC1	ZINC000656726119	412848153	/nfs/dbraw/zinc/84/81/53/412848153.db2.gz	ZSUQMOWMTQOLJE-JTQLQIEISA-N	-1	0	261.343	0.983	20	30		CCEDRM
C=CCOCCCC(=O)N(C)Cc1nc(=O)o[n-]1	ZINC000640452722	376368798	/nfs/dbraw/zinc/36/87/98/376368798.db2.gz	IMRGZEGKMVXTDP-UHFFFAOYSA-N	-1	0	255.274	0.304	20	30		CCEDRM
C=CC[C@H](CO)NC(=O)N=c1[n-]nc([C@H]2CCCO2)s1	ZINC000640735200	376516534	/nfs/dbraw/zinc/51/65/34/376516534.db2.gz	ZYWPUIQRXQAMQE-RKDXNWHRSA-N	-1	0	298.368	0.870	20	30		CCEDRM
C=C(C)Cn1c(COC)n[n-]c1=Nc1cnn(C)c1	ZINC000642707023	377612733	/nfs/dbraw/zinc/61/27/33/377612733.db2.gz	DEJOKDLCDDRDGN-UHFFFAOYSA-N	-1	0	262.317	0.900	20	30		CCEDRM
Cc1oc(C#N)cc1C(=O)N(C)C[C@@H](C)c1nnn[n-]1	ZINC000280977405	195054502	/nfs/dbraw/zinc/05/45/02/195054502.db2.gz	CQZYZBMRSWZICN-SSDOTTSWSA-N	-1	0	274.284	0.849	20	30		CCEDRM
CO[C@H](C)C(=O)[N-]S(=O)(=O)c1c(C)noc1C	ZINC000049135103	388917440	/nfs/dbraw/zinc/91/74/40/388917440.db2.gz	PWULFCLJYJSTJA-SSDOTTSWSA-N	-1	0	262.287	0.972	20	30		CCEDRM
C=CCCCS(=O)(=O)N[C@H](Cc1c[nH]cn1)C(=O)[O-]	ZINC000291833393	388939634	/nfs/dbraw/zinc/93/96/34/388939634.db2.gz	GOMAOBTXAUKAPB-SNVBAGLBSA-N	-1	0	287.341	0.291	20	30		CCEDRM
Cc1n[n-]c(=NC(=O)NCc2nc(N(C)C)no2)s1	ZINC000330503674	389236165	/nfs/dbraw/zinc/23/61/65/389236165.db2.gz	ZYEDTYJTFHUCLQ-UHFFFAOYSA-N	-1	0	283.317	0.244	20	30		CCEDRM
C=CCNC(=O)NC(=O)[C@@H](C)N(CCC)CC(=O)[O-]	ZINC000262390871	389285819	/nfs/dbraw/zinc/28/58/19/389285819.db2.gz	RFGOXSAOONOBBI-SECBINFHSA-N	-1	0	271.317	0.183	20	30		CCEDRM
Cc1cccc2c1O[C@@H](C(=O)N=c1[n-]n(C)cc1C#N)C2	ZINC000410543651	389385631	/nfs/dbraw/zinc/38/56/31/389385631.db2.gz	YAKXGHGBQMYLAE-GFCCVEGCSA-N	-1	0	282.303	0.964	20	30		CCEDRM
C=CCOc1cccc(NC(=O)CN2CC(=O)NC2=O)c1	ZINC000348888624	389395301	/nfs/dbraw/zinc/39/53/01/389395301.db2.gz	DYANEQYHDLVODA-UHFFFAOYSA-N	-1	0	289.291	0.742	20	30		CCEDRM
N#Cc1cccc(S(=O)(=O)[N-]C(=O)[C@@H]2CCCOC2)c1	ZINC000171033792	389469770	/nfs/dbraw/zinc/46/97/70/389469770.db2.gz	BQQUVYCBFUCNTN-LLVKDONJSA-N	-1	0	294.332	0.790	20	30		CCEDRM
CCCN1C[C@H](C(=O)Nc2nc(C#N)c(C#N)[n-]2)CC1=O	ZINC000411358671	389425922	/nfs/dbraw/zinc/42/59/22/389425922.db2.gz	CQLZJJBAWDWZJW-MRVPVSSYSA-N	-1	0	286.295	0.350	20	30		CCEDRM
CC#CC[C@H](NS(=O)(=O)C[C@@H]1CCCCO1)C(=O)[O-]	ZINC000274933560	389507171	/nfs/dbraw/zinc/50/71/71/389507171.db2.gz	CVTLTWRUJHKKOF-QWRGUYRKSA-N	-1	0	289.353	0.342	20	30		CCEDRM
C=CCCn1cc(C(=O)N[C@H]2CCC[C@H]2C(=O)[O-])nn1	ZINC000425260203	389643381	/nfs/dbraw/zinc/64/33/81/389643381.db2.gz	UULFDAWKLOWMQJ-ZJUUUORDSA-N	-1	0	278.312	0.837	20	30		CCEDRM
C=C[C@@H](CO)NC(=O)c1cccc([O-])c1[N+](=O)[O-]	ZINC000426858909	389679638	/nfs/dbraw/zinc/67/96/38/389679638.db2.gz	YXONYUSJTNHGFK-ZETCQYMHSA-N	-1	0	252.226	0.577	20	30		CCEDRM
N#CCCCS(=O)(=O)[N-]C(=O)/C=C/c1cccnc1	ZINC000181283919	389684601	/nfs/dbraw/zinc/68/46/01/389684601.db2.gz	REECIQRXIMBAGO-AATRIKPKSA-N	-1	0	279.321	0.845	20	30		CCEDRM
N#Cc1ccc(OCC(=O)NCc2n[n-]c(=N)o2)cc1	ZINC000352126427	389758318	/nfs/dbraw/zinc/75/83/18/389758318.db2.gz	SVQZIBIKZRSRMQ-UHFFFAOYSA-N	-1	0	273.252	0.049	20	30		CCEDRM
C=CCNC(=O)CNC(=O)NCCC(C)(C)C(=O)[O-]	ZINC000393818920	389775368	/nfs/dbraw/zinc/77/53/68/389775368.db2.gz	PKFFXAFFMGNECC-UHFFFAOYSA-N	-1	0	271.317	0.089	20	30		CCEDRM
N#Cc1ccc(C(=O)Nc2cnn(CC(N)=O)c2)cc1[O-]	ZINC000442620222	389851142	/nfs/dbraw/zinc/85/11/42/389851142.db2.gz	LPGFHJHSTCLMOQ-UHFFFAOYSA-N	-1	0	285.263	0.198	20	30		CCEDRM
C=C(C)COCCNC(=O)C(=O)N1CC[C@@](C)(C(=O)[O-])C1	ZINC000420563852	390012712	/nfs/dbraw/zinc/01/27/12/390012712.db2.gz	QUHLRAMZOPJBKX-CQSZACIVSA-N	-1	0	298.339	0.019	20	30		CCEDRM
Cc1cc(C(=O)NC2(c3nnn[n-]3)CCCC2)ncc1C#N	ZINC000457589258	390046951	/nfs/dbraw/zinc/04/69/51/390046951.db2.gz	GVKSQRLPYKUCRA-UHFFFAOYSA-N	-1	0	297.322	0.974	20	30		CCEDRM
C#CCn1ccnc1C=NN=c1nc2ccccn2[n-]1	ZINC000491475138	390113791	/nfs/dbraw/zinc/11/37/91/390113791.db2.gz	UAVUGYJVINDWMM-UHFFFAOYSA-N	-1	0	265.280	0.427	20	30		CCEDRM
C=C[C@@H](CCC(=O)[O-])NS(=O)(=O)[C@@H](C)COC	ZINC000578960745	390129738	/nfs/dbraw/zinc/12/97/38/390129738.db2.gz	LGIPPLTVILLAMO-IUCAKERBSA-N	-1	0	265.331	0.360	20	30		CCEDRM
C=CCn1cc(C(=O)N2CCC[C@H]2C(=O)[O-])nn1	ZINC000647727406	390148342	/nfs/dbraw/zinc/14/83/42/390148342.db2.gz	CRMMKFMJBRJDND-VIFPVBQESA-N	-1	0	250.258	0.153	20	30		CCEDRM
C=CCn1cc(C(=O)N[C@H](C(=O)[O-])[C@@H](C)CC)nn1	ZINC000647728817	390148488	/nfs/dbraw/zinc/14/84/88/390148488.db2.gz	AXWSWAXPKAZPRB-WPRPVWTQSA-N	-1	0	266.301	0.693	20	30		CCEDRM
C=CCn1cc(C(=O)NC[C@@H](CC(C)C)C(=O)[O-])nn1	ZINC000647743693	390156909	/nfs/dbraw/zinc/15/69/09/390156909.db2.gz	XADVRFLSJIQADL-SNVBAGLBSA-N	-1	0	280.328	0.941	20	30		CCEDRM
C=CCCOCC(=O)N[C@@H](C(=O)[O-])c1ccnn1C	ZINC000647773686	390167709	/nfs/dbraw/zinc/16/77/09/390167709.db2.gz	DPXYQEHDMGZJSB-LLVKDONJSA-N	-1	0	267.285	0.255	20	30		CCEDRM
CC#CC[C@H](NS(=O)(=O)c1ccc(OC)nc1)C(=O)[O-]	ZINC000581013975	390249547	/nfs/dbraw/zinc/24/95/47/390249547.db2.gz	HBCBYEHXUYIAMG-JTQLQIEISA-N	-1	0	298.320	0.235	20	30		CCEDRM
C=CCn1cc(CNC(=O)N=c2ccc(C3CC3)n[n-]2)nn1	ZINC000563807091	390493543	/nfs/dbraw/zinc/49/35/43/390493543.db2.gz	MJPCCGKSXVVMFR-UHFFFAOYSA-N	-1	0	299.338	0.875	20	30		CCEDRM
C=C[C@H](CCC(=O)[O-])NS(=O)(=O)c1cnn(C)c1C	ZINC000514657150	390467819	/nfs/dbraw/zinc/46/78/19/390467819.db2.gz	ABIRRNYJEGBIGD-SECBINFHSA-N	-1	0	287.341	0.426	20	30		CCEDRM
CO[C@@H](CS(=O)(=O)[N-]c1n[nH]cc1C#N)C1CC1	ZINC000519600924	390516043	/nfs/dbraw/zinc/51/60/43/390516043.db2.gz	AGWAYKWEOPPXCK-VIFPVBQESA-N	-1	0	270.314	0.448	20	30		CCEDRM
N#CCCCC(=O)N1CCC[C@@H](c2n[nH]c(=O)[n-]2)C1	ZINC000515654051	390477716	/nfs/dbraw/zinc/47/77/16/390477716.db2.gz	CJXWDOYPOKJGST-SECBINFHSA-N	-1	0	263.301	0.910	20	30		CCEDRM
C=C(C)CS(=O)(=O)N1CCOC[C@@H]1CC(=O)[O-]	ZINC000646042305	390581416	/nfs/dbraw/zinc/58/14/16/390581416.db2.gz	CDKSTHJNZQYKCS-VIFPVBQESA-N	-1	0	263.315	0.068	20	30		CCEDRM
C[C@H](CCC(=O)[O-])NS(=O)(=O)N(C)[C@@H](C)CC#N	ZINC000519653862	390524892	/nfs/dbraw/zinc/52/48/92/390524892.db2.gz	OVMNAPQAGFBCRI-BDAKNGLRSA-N	-1	0	277.346	0.308	20	30		CCEDRM
C=CCn1cc(C(=O)N2CCC[C@]2(C)C(=O)[O-])nn1	ZINC000649249687	390537408	/nfs/dbraw/zinc/53/74/08/390537408.db2.gz	KCJRONMIEGIPMH-GFCCVEGCSA-N	-1	0	264.285	0.543	20	30		CCEDRM
C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)N[C@@H](C)C(=O)[O-]	ZINC000520352697	390568760	/nfs/dbraw/zinc/56/87/60/390568760.db2.gz	XMOICYNDNWZHIC-AEJSXWLSSA-N	-1	0	256.302	0.740	20	30		CCEDRM
C=C(C)[C@H]1OCC[C@H]1C(=O)N1CCO[C@@H](C(=O)[O-])C1	ZINC000568398052	390714039	/nfs/dbraw/zinc/71/40/39/390714039.db2.gz	MMXXBCACHAMRKX-GMTAPVOTSA-N	-1	0	269.297	0.280	20	30		CCEDRM
C=CCOC[C@@H](NC(=O)NC[C@@H]1CCCCO1)C(=O)[O-]	ZINC000567372269	390695579	/nfs/dbraw/zinc/69/55/79/390695579.db2.gz	LRCLQZRLPSQHQE-WDEREUQCSA-N	-1	0	286.328	0.511	20	30		CCEDRM
C=CCCS(=O)(=O)N1C[C@@H](C)O[C@H](C(=O)[O-])C1	ZINC000530149291	390875530	/nfs/dbraw/zinc/87/55/30/390875530.db2.gz	FGXMNPUOTAOBIC-BDAKNGLRSA-N	-1	0	263.315	0.066	20	30		CCEDRM
COCCCn1cc(C(=O)N=c2[nH][n-]c(C)c2C#N)cn1	ZINC000530269638	390875941	/nfs/dbraw/zinc/87/59/41/390875941.db2.gz	VOBPSYMSPHFJRK-UHFFFAOYSA-N	-1	0	288.311	0.497	20	30		CCEDRM
C[C@@H](C(=O)Nc1nc(C#N)c(C#N)[n-]1)c1cnn(C)c1	ZINC000530941678	390877770	/nfs/dbraw/zinc/87/77/70/390877770.db2.gz	AKVJSWVXCRLZEF-SSDOTTSWSA-N	-1	0	269.268	0.629	20	30		CCEDRM
C=CCCCNC(=O)C(=O)N[C@H]1CC[C@@H](C(=O)[O-])C1	ZINC000647586966	390843824	/nfs/dbraw/zinc/84/38/24/390843824.db2.gz	UEZVWZMBUPPCHI-ZJUUUORDSA-N	-1	0	268.313	0.438	20	30		CCEDRM
C=CC1CCN(C(=O)C(=O)N[C@H]2CC[C@@H](C(=O)[O-])C2)CC1	ZINC000647591740	390844640	/nfs/dbraw/zinc/84/46/40/390844640.db2.gz	ITBCSABPFKICSL-NEPJUHHUSA-N	-1	0	294.351	0.781	20	30		CCEDRM
N#Cc1ccnc(N2CCN(C(=O)CCC(=O)[O-])CC2)c1	ZINC000577848930	390847747	/nfs/dbraw/zinc/84/77/47/390847747.db2.gz	NWVYSQHOHJHHCB-UHFFFAOYSA-N	-1	0	288.307	0.467	20	30		CCEDRM
COc1ccc(=NC(=O)N[C@@H]2C=C[C@H](CO)C2)[n-]n1	ZINC000330233511	533253475	/nfs/dbraw/zinc/25/34/75/533253475.db2.gz	FZOTUBNBGWIBGZ-DTWKUNHWSA-N	-1	0	264.285	0.170	20	30		CCEDRM
C[C@@H](CN(C)S(=O)(=O)c1ccc(C#N)o1)C(=O)[O-]	ZINC000262309412	131210194	/nfs/dbraw/zinc/21/01/94/131210194.db2.gz	NHDQCUKPENXUGF-ZETCQYMHSA-N	-1	0	272.282	0.492	20	30		CCEDRM
C=CCCO[C@@H](C)C(=O)N[C@@H](CCOC)C(=O)[O-]	ZINC000262343254	131213963	/nfs/dbraw/zinc/21/39/63/131213963.db2.gz	XKOVSOLLBQRDIW-UWVGGRQHSA-N	-1	0	259.302	0.574	20	30		CCEDRM
C=C1C[C@H]2CC[C@@H](C1)N2C(=O)Cn1cc(C(=O)[O-])nn1	ZINC000659227822	413347883	/nfs/dbraw/zinc/34/78/83/413347883.db2.gz	DIAUHXHZHNRIKV-AOOOYVTPSA-N	-1	0	276.296	0.686	20	30		CCEDRM
C=C[C@@H]1CCCCN1C(=O)C(=O)N=c1ncn(C(C)C)[n-]1	ZINC000651759937	411930049	/nfs/dbraw/zinc/93/00/49/411930049.db2.gz	IJTFSRPPJLVCMM-LLVKDONJSA-N	-1	0	291.355	0.787	20	30		CCEDRM
N#Cc1ccc(CS(=O)(=O)NCCCC(=O)[O-])cc1	ZINC000021517136	171313476	/nfs/dbraw/zinc/31/34/76/171313476.db2.gz	XPZSEIIGVKXMIQ-UHFFFAOYSA-N	-1	0	282.321	0.842	20	30		CCEDRM
C=CCCNC(=O)C(=O)NCC(CC)(CC)C(=O)[O-]	ZINC000659661846	413760502	/nfs/dbraw/zinc/76/05/02/413760502.db2.gz	YDLIPJIRQVRVNX-UHFFFAOYSA-N	-1	0	270.329	0.686	20	30		CCEDRM
C=CCOCCCNC(=O)C(=O)N1CCC(C(=O)[O-])CC1	ZINC000659663519	413761283	/nfs/dbraw/zinc/76/12/83/413761283.db2.gz	GMFXHUCXTFALFD-UHFFFAOYSA-N	-1	0	298.339	0.019	20	30		CCEDRM
C=CCCN(C)C(=O)C(=O)NCC1(C(=O)[O-])CCC1	ZINC000659668056	413763144	/nfs/dbraw/zinc/76/31/44/413763144.db2.gz	RTZBLGVKPRYUHY-UHFFFAOYSA-N	-1	0	268.313	0.392	20	30		CCEDRM
C[C@H](NC(=O)[C@H](C)Oc1ccc(C#N)cc1)C(=O)[O-]	ZINC000037410224	173186566	/nfs/dbraw/zinc/18/65/66/173186566.db2.gz	DJHMAOLRGQFZSY-IUCAKERBSA-N	-1	0	262.265	0.915	20	30		CCEDRM
C=CCN(C(C)C)S(=O)(=O)c1cnn(CC(=O)[O-])c1	ZINC000037837854	173795354	/nfs/dbraw/zinc/79/53/54/173795354.db2.gz	GSVRRYICEUNOCI-UHFFFAOYSA-N	-1	0	287.341	0.553	20	30		CCEDRM
C=CCCn1cc(CN(C)Cc2n[n-]c(=O)o2)nn1	ZINC000660844656	414504398	/nfs/dbraw/zinc/50/43/98/414504398.db2.gz	RYBXACGWSLJXSC-UHFFFAOYSA-N	-1	0	264.289	0.575	20	30		CCEDRM
C=CCOCCNC(=O)N1CC[C@H](OC)C[C@H]1C(=O)[O-]	ZINC000663265696	415030966	/nfs/dbraw/zinc/03/09/66/415030966.db2.gz	JDVQLDXAMMBNEM-QWRGUYRKSA-N	-1	0	286.328	0.463	20	30		CCEDRM
C=CCC[C@@H](NC(=O)NCCOCCF)C(=O)[O-]	ZINC000663273658	415032215	/nfs/dbraw/zinc/03/22/15/415032215.db2.gz	NARYYQBJZLWKOG-SECBINFHSA-N	-1	0	262.281	0.691	20	30		CCEDRM
Cc1ccc(C#N)cc1S(=O)(=O)NC[C@H](C)C(=O)[O-]	ZINC000070430400	175925572	/nfs/dbraw/zinc/92/55/72/175925572.db2.gz	JZEJAEDFJILZSR-VIFPVBQESA-N	-1	0	282.321	0.866	20	30		CCEDRM
N#Cc1ccc(S(=O)(=O)N2CC(C(=O)[O-])C2)cc1	ZINC000071173375	176053084	/nfs/dbraw/zinc/05/30/84/176053084.db2.gz	IEUJTPHYNOUPTE-UHFFFAOYSA-N	-1	0	266.278	0.263	20	30		CCEDRM
N#C[C@H](CCc1ccccc1)C(=O)NCc1n[n-]c(=N)o1	ZINC000354839271	227154897	/nfs/dbraw/zinc/15/48/97/227154897.db2.gz	LRYWFXADENOEFG-NSHDSACASA-N	-1	0	285.307	0.871	20	30		CCEDRM
N#C[C@H](CCc1ccccc1)C(=O)NCCc1n[n-]c(=N)o1	ZINC000355028246	227324362	/nfs/dbraw/zinc/32/43/62/227324362.db2.gz	FGFTYDQDHSVDQY-LBPRGKRZSA-N	-1	0	299.334	0.913	20	30		CCEDRM
N#CC1(NC(=O)CSc2n[nH]c(=O)[n-]2)CCC1	ZINC000331662432	228117797	/nfs/dbraw/zinc/11/77/97/228117797.db2.gz	YQGMIFJKOBTACW-UHFFFAOYSA-N	-1	0	253.287	0.165	20	30		CCEDRM
O=C(CSc1n[nH]c(=O)[n-]1)NC[C@@H]1CCCC1=O	ZINC000330070993	228033038	/nfs/dbraw/zinc/03/30/38/228033038.db2.gz	XQZFOGLCIGINQB-LURJTMIESA-N	-1	0	270.314	0.928	20	30		CCEDRM
C=CC[C@H](NS(=O)(=O)c1cn(CC)cn1)C(=O)[O-]	ZINC000161287186	544705984	/nfs/dbraw/zinc/70/59/84/544705984.db2.gz	HXJDSBDVLUXUOR-QMMMGPOBSA-N	-1	0	273.314	0.211	20	30		CCEDRM
CS(=O)(=O)[N-]C(=O)CCNC(=O)c1cccs1	ZINC000042279060	260185805	/nfs/dbraw/zinc/18/58/05/260185805.db2.gz	HOMBJGCUDUYVAC-UHFFFAOYSA-N	-1	0	276.339	0.784	20	30		CCEDRM
CCCC(=O)N1CCC[C@H](C(=O)[N-]S(C)(=O)=O)C1	ZINC000048761607	260656496	/nfs/dbraw/zinc/65/64/96/260656496.db2.gz	RFMWULBYQLZNJG-VIFPVBQESA-N	-1	0	276.358	0.941	20	30		CCEDRM
CN(CC#N)C(=O)C(C)(C)[N-]C(=O)C(F)(F)F	ZINC000277498944	263041566	/nfs/dbraw/zinc/04/15/66/263041566.db2.gz	MDAGLZGPYNYLNZ-UHFFFAOYSA-N	-1	0	251.208	0.425	20	30		CCEDRM
C#CC[C@@H](NS(=O)(=O)c1ccc(F)cc1C)C(=O)[O-]	ZINC000161245163	264279644	/nfs/dbraw/zinc/27/96/44/264279644.db2.gz	JQDLIUZBGZYRSY-SNVBAGLBSA-N	-1	0	285.296	0.889	20	30		CCEDRM
C#CC[C@H](NS(=O)(=O)c1ccc(F)cc1C)C(=O)[O-]	ZINC000161245046	264279793	/nfs/dbraw/zinc/27/97/93/264279793.db2.gz	JQDLIUZBGZYRSY-JTQLQIEISA-N	-1	0	285.296	0.889	20	30		CCEDRM
C=CC[C@@H](NS(=O)(=O)N(C)CCCC)C(=O)[O-]	ZINC000161275228	264280581	/nfs/dbraw/zinc/28/05/81/264280581.db2.gz	NJCOWSJVLZZEQL-SECBINFHSA-N	-1	0	264.347	0.582	20	30		CCEDRM
C=C[C@](C)(O)CC(=O)N=c1nc([C@@H](C)OC)[n-]s1	ZINC000356277780	266085919	/nfs/dbraw/zinc/08/59/19/266085919.db2.gz	HTWAFDQXTXPISA-HQJQHLMTSA-N	-1	0	271.342	0.933	20	30		CCEDRM
C[C@H](C#N)C(=O)Nc1nnc([N-]S(C)(=O)=O)s1	ZINC000357810496	266369214	/nfs/dbraw/zinc/36/92/14/266369214.db2.gz	SDJXJACVGWMNAI-SCSAIBSYSA-N	-1	0	275.315	0.008	20	30		CCEDRM
CC(C)(C)c1nc(=NCCn2cnc(C#N)n2)[n-]o1	ZINC000520631162	266878541	/nfs/dbraw/zinc/87/85/41/266878541.db2.gz	QOMFCRZILHQVHZ-UHFFFAOYSA-N	-1	0	261.289	0.364	20	30		CCEDRM
C[C@@H]1[C@@H](C(=O)[O-])CCN1S(=O)(=O)CCCC#N	ZINC000370294178	267307452	/nfs/dbraw/zinc/30/74/52/267307452.db2.gz	MGDQBGQIFZPDHE-BDAKNGLRSA-N	-1	0	260.315	0.415	20	30		CCEDRM
CO[C@@H]1C[C@@H](C(=O)[O-])N(S(=O)(=O)CCCCC#N)C1	ZINC000370430536	267317908	/nfs/dbraw/zinc/31/79/08/267317908.db2.gz	LZACHIGOMTYARC-ZJUUUORDSA-N	-1	0	290.341	0.184	20	30		CCEDRM
C[C@H]1[C@H](C(=O)[O-])CCN1S(=O)(=O)CCCCC#N	ZINC000376758271	268014239	/nfs/dbraw/zinc/01/42/39/268014239.db2.gz	NDFLSEKUIRBXCV-VHSXEESVSA-N	-1	0	274.342	0.805	20	30		CCEDRM
O=C(N=c1cn[n-]s1)N[C@H]1CCC(=O)NC1=O	ZINC000330272044	304655528	/nfs/dbraw/zinc/65/55/28/304655528.db2.gz	XACGIVAXUQQDPR-BYPYZUCNSA-N	-1	0	255.259	0.510	20	30		CCEDRM
O=C(N=c1cn[n-]s1)N[C@@H]1CCC(=O)NC1=O	ZINC000330272045	304655533	/nfs/dbraw/zinc/65/55/33/304655533.db2.gz	XACGIVAXUQQDPR-SCSAIBSYSA-N	-1	0	255.259	0.510	20	30		CCEDRM
N#Cc1ccc(S(=O)(=O)N2CCOC[C@@H]2C(=O)[O-])cc1	ZINC000088376895	303197490	/nfs/dbraw/zinc/19/74/90/303197490.db2.gz	QTGPDYIHMONLLE-LLVKDONJSA-N	-1	0	296.304	0.032	20	30		CCEDRM
C=CC[C@@H](C)NS(=O)(=O)N1CCC[C@H]1C(=O)[O-]	ZINC000582238995	328843514	/nfs/dbraw/zinc/84/35/14/328843514.db2.gz	GSBKZIHVLNLHAV-BDAKNGLRSA-N	-1	0	262.331	0.334	20	30		CCEDRM
N#CCCCS(=O)(=O)N[C@@H](CC(F)F)C(=O)[O-]	ZINC000275242305	328214676	/nfs/dbraw/zinc/21/46/76/328214676.db2.gz	KKCYYZSVNRGFJS-LURJTMIESA-N	-1	0	270.257	0.318	20	30		CCEDRM
C=CCOC[C@H](NC(=O)c1ccc([N+](=O)[O-])cn1)C(=O)[O-]	ZINC000516723932	326900978	/nfs/dbraw/zinc/90/09/78/326900978.db2.gz	KALKXOMFAYNZSE-JTQLQIEISA-N	-1	0	295.251	0.375	20	30		CCEDRM
C=CCOC[C@@H](NC(=O)NC1CCCC1)C(=O)[O-]	ZINC000557625812	327017070	/nfs/dbraw/zinc/01/70/70/327017070.db2.gz	LQYQILHEORSPOZ-SNVBAGLBSA-N	-1	0	256.302	0.884	20	30		CCEDRM
C=C(C)CS(=O)(=O)N[C@H](C(=O)[O-])[C@H](C)C1CC1	ZINC000569367644	327167398	/nfs/dbraw/zinc/16/73/98/327167398.db2.gz	JWOBHGCOOOLXHT-SCZZXKLOSA-N	-1	0	261.343	0.981	20	30		CCEDRM
CN(C(=O)c1cnc([O-])n(C)c1=O)C1(C#N)CCC1	ZINC000408402716	327428825	/nfs/dbraw/zinc/42/88/25/327428825.db2.gz	JMUBHRVMZSTJAF-UHFFFAOYSA-N	-1	0	262.269	0.004	20	30		CCEDRM
C=CCOC[C@@H](NC(=O)NC[C@H](C)COC)C(=O)[O-]	ZINC000569904102	327555205	/nfs/dbraw/zinc/55/52/05/327555205.db2.gz	CYPYZAHUJFQZAM-VHSXEESVSA-N	-1	0	274.317	0.224	20	30		CCEDRM
Cc1cc(S(=O)(=O)NCCC#N)ccc1C(=O)[O-]	ZINC000336791089	329557886	/nfs/dbraw/zinc/55/78/86/329557886.db2.gz	ZHLPXNJHWYHMIM-UHFFFAOYSA-N	-1	0	268.294	0.885	20	30		CCEDRM
C=C(C)CN1[N-]S(=O)(=O)c2ccccc2C1=O	ZINC000125048209	329576718	/nfs/dbraw/zinc/57/67/18/329576718.db2.gz	JWSCEHBFURBGFA-UHFFFAOYSA-N	-1	0	252.295	0.912	20	30		CCEDRM
C=CCCn1cc(C(=O)N(CC)CCC(=O)[O-])nn1	ZINC000425248388	329650392	/nfs/dbraw/zinc/65/03/92/329650392.db2.gz	RBFGTOSRNGXYIJ-UHFFFAOYSA-N	-1	0	266.301	0.791	20	30		CCEDRM
C[C@]1(C(=O)[O-])CCN(S(=O)(=O)CC2(C#N)CC2)C1	ZINC000262399537	330008152	/nfs/dbraw/zinc/00/81/52/330008152.db2.gz	JSNNDMSNQZUDEE-JTQLQIEISA-N	-1	0	272.326	0.417	20	30		CCEDRM
C=CCOc1cccnc1C(=O)N1CCO[C@@H](C(=O)[O-])C1	ZINC000262774649	330030517	/nfs/dbraw/zinc/03/05/17/330030517.db2.gz	MZKIPONFSQGIMA-LLVKDONJSA-N	-1	0	292.291	0.572	20	30		CCEDRM
C=CCC[C@@H](NC(=O)Cn1cc([N+](=O)[O-])nc1C)C(=O)[O-]	ZINC000262833569	330034646	/nfs/dbraw/zinc/03/46/46/330034646.db2.gz	GDCWJUHWVBULTH-SECBINFHSA-N	-1	0	296.283	0.635	20	30		CCEDRM
C=CCOCCCC(=O)N1CC[C@@](F)(C(=O)[O-])C1	ZINC000262881642	330036083	/nfs/dbraw/zinc/03/60/83/330036083.db2.gz	ZBTYCTPWNRFJPS-LBPRGKRZSA-N	-1	0	259.277	0.994	20	30		CCEDRM
C=CCC[C@H](NC(=O)c1c(OC)ncnc1OC)C(=O)[O-]	ZINC000262939336	330037325	/nfs/dbraw/zinc/03/73/25/330037325.db2.gz	PRZRMINNIUXUOL-QMMMGPOBSA-N	-1	0	295.295	0.643	20	30		CCEDRM
C=CCOC[C@@H](NC(=O)CC[C@H]1CCCO1)C(=O)[O-]	ZINC000263124466	330044799	/nfs/dbraw/zinc/04/47/99/330044799.db2.gz	VPGKDAHYBDERMZ-GHMZBOCLSA-N	-1	0	271.313	0.718	20	30		CCEDRM
C#CCN(C(=O)Cn1cc(C(=O)[O-])nn1)C1CCCCC1	ZINC000263362648	330053116	/nfs/dbraw/zinc/05/31/16/330053116.db2.gz	UVCFFTKWDAQLNG-UHFFFAOYSA-N	-1	0	290.323	0.771	20	30		CCEDRM
CCN(C[C@@H](C)C#N)S(=O)(=O)N(C)C[C@H](C)C(=O)[O-]	ZINC000263502943	330058184	/nfs/dbraw/zinc/05/81/84/330058184.db2.gz	ULMQMRRZINBVKV-UWVGGRQHSA-N	-1	0	291.373	0.365	20	30		CCEDRM
CCN(C[C@@H](C)C#N)S(=O)(=O)N1CCC[C@@H]1C(=O)[O-]	ZINC000263549144	330059448	/nfs/dbraw/zinc/05/94/48/330059448.db2.gz	JKESYOFWPOWDJG-VHSXEESVSA-N	-1	0	289.357	0.262	20	30		CCEDRM
C=CC[C@@H](NS(=O)(=O)CCCCF)C(=O)[O-]	ZINC000287241336	330060650	/nfs/dbraw/zinc/06/06/50/330060650.db2.gz	OUENFNITWPKDRQ-MRVPVSSYSA-N	-1	0	253.295	0.685	20	30		CCEDRM
CC(C)C[C@@H](NS(=O)(=O)N(C)C[C@@H](C)C#N)C(=O)[O-]	ZINC000263569303	330062190	/nfs/dbraw/zinc/06/21/90/330062190.db2.gz	ZHKSDPMYAWRPTQ-VHSXEESVSA-N	-1	0	291.373	0.412	20	30		CCEDRM
CC[C@@H](C(=O)[O-])N(C)S(=O)(=O)N(C)[C@@H](C)CC#N	ZINC000574992707	330125082	/nfs/dbraw/zinc/12/50/82/330125082.db2.gz	VMNPZOHTLPIZDL-IUCAKERBSA-N	-1	0	277.346	0.260	20	30		CCEDRM
C=C[C@@H]1CCCCN1C(=O)C(=O)N(C)CCC(=O)[O-]	ZINC000422911868	330160157	/nfs/dbraw/zinc/16/01/57/330160157.db2.gz	UPWKXVJHFGKXBP-SNVBAGLBSA-N	-1	0	268.313	0.487	20	30		CCEDRM
C[C@]1(C(=O)[O-])CCN(C(=O)C(=O)N[C@@H]2CC[C@H](C#N)C2)C1	ZINC000424501951	330359994	/nfs/dbraw/zinc/35/99/94/330359994.db2.gz	GACYUAQQYYMAOK-RBZYPMLTSA-N	-1	0	293.323	0.118	20	30		CCEDRM
N#CCC1(O)CN(C(=O)c2cccc([N+](=O)[O-])c2[O-])C1	ZINC000436992852	330690596	/nfs/dbraw/zinc/69/05/96/330690596.db2.gz	WZVGBFJGGSQGBG-UHFFFAOYSA-N	-1	0	277.236	0.401	20	30		CCEDRM
C=CCOc1cccnc1C(=O)NCCc1nc(=O)o[n-]1	ZINC000447636161	330873696	/nfs/dbraw/zinc/87/36/96/330873696.db2.gz	GZRSSQDJBLIRPG-UHFFFAOYSA-N	-1	0	290.279	0.295	20	30		CCEDRM
C=CCN(CCOC)S(=O)(=O)[N-]CC(F)(F)F	ZINC000195470545	331175074	/nfs/dbraw/zinc/17/50/74/331175074.db2.gz	AXPSHDDTCAUHJZ-UHFFFAOYSA-N	-1	0	276.280	0.518	20	30		CCEDRM
CN=c1[n-]nc(CC(=O)NCC(C)(C)CCC#N)s1	ZINC000489883544	332071532	/nfs/dbraw/zinc/07/15/32/332071532.db2.gz	IQBKVYPGKSZPMR-UHFFFAOYSA-N	-1	0	281.385	0.990	20	30		CCEDRM
C#C[C@H](CCC)NC(=O)N=c1[n-]n(C)cc1C(=O)OCC	ZINC000491142892	332155515	/nfs/dbraw/zinc/15/55/15/332155515.db2.gz	DLMNYHRJXRKHRC-SNVBAGLBSA-N	-1	0	292.339	0.942	20	30		CCEDRM
CC1(C)CC[C@@H](C(=O)[O-])N1S(=O)(=O)CCCC#N	ZINC000575334119	335095315	/nfs/dbraw/zinc/09/53/15/335095315.db2.gz	UGPOEVFPCDFFFN-VIFPVBQESA-N	-1	0	274.342	0.948	20	30		CCEDRM
C#C[C@H](CC)NC(=O)C(C)(C)[N-]C(=O)C(F)(F)F	ZINC000491697010	332292219	/nfs/dbraw/zinc/29/22/19/332292219.db2.gz	PDZFLWLIBQLFEI-SSDOTTSWSA-N	-1	0	264.247	0.972	20	30		CCEDRM
C=CCS(=O)(=O)[N-]C(=O)/C=C/C1CCOCC1	ZINC000492340575	332393365	/nfs/dbraw/zinc/39/33/65/332393365.db2.gz	GMPPQMGYFIBKFW-ONEGZZNKSA-N	-1	0	259.327	0.601	20	30		CCEDRM
CCn1ccnc1/C=C/C(=O)[N-]S(=O)(=O)CCCC#N	ZINC000492471666	332399060	/nfs/dbraw/zinc/39/90/60/332399060.db2.gz	JOUDPANJRZXEKC-AATRIKPKSA-N	-1	0	296.352	0.666	20	30		CCEDRM
CC#CCS(=O)(=O)[N-]C(=O)/C=C\c1cncc(OC)c1	ZINC000493164962	332428927	/nfs/dbraw/zinc/42/89/27/332428927.db2.gz	WLZCQAJHUTWGPN-WAYWQWQTSA-N	-1	0	294.332	0.573	20	30		CCEDRM
C#CCCS(=O)(=O)[N-]C(=O)/C=C/c1ccn(C)c1	ZINC000493699172	332450274	/nfs/dbraw/zinc/45/02/74/332450274.db2.gz	VLWHPEFAXVKZPO-AATRIKPKSA-N	-1	0	266.322	0.508	20	30		CCEDRM
N#CCNC(=O)c1nn(-c2ccccc2F)cc1[O-]	ZINC000162967601	333079116	/nfs/dbraw/zinc/07/91/16/333079116.db2.gz	NCMOIVRSPFQNNC-UHFFFAOYSA-N	-1	0	260.228	0.970	20	30		CCEDRM
C=CCCS(=O)(=O)N1C[C@H](C(=O)[O-])[C@@]2(CCOC2)C1	ZINC000516841696	333083758	/nfs/dbraw/zinc/08/37/58/333083758.db2.gz	LQXJFOQGWKPXNK-PWSUYJOCSA-N	-1	0	289.353	0.315	20	30		CCEDRM
CCC(C#N)(CC)C(=O)[N-]S(=O)(=O)[C@@H]1CCCOC1	ZINC000528981998	333467503	/nfs/dbraw/zinc/46/75/03/333467503.db2.gz	MYNAKLHWKZURDE-SNVBAGLBSA-N	-1	0	288.369	0.941	20	30		CCEDRM
N#CCCCS(=O)(=O)N[C@@H](CC1CCC1)C(=O)[O-]	ZINC000530421138	333547180	/nfs/dbraw/zinc/54/71/80/333547180.db2.gz	VTDHWMZTKASWQK-JTQLQIEISA-N	-1	0	274.342	0.853	20	30		CCEDRM
C=CCCS(=O)(=O)NCCc1cccc(C(=O)[O-])n1	ZINC000541006659	333757896	/nfs/dbraw/zinc/75/78/96/333757896.db2.gz	QQULBXUZMKUBCL-UHFFFAOYSA-N	-1	0	284.337	0.818	20	30		CCEDRM
C=CC[C@H](CO)CNC(=O)N=c1ncn(C(C)(C)C)[n-]1	ZINC000542436690	333824557	/nfs/dbraw/zinc/82/45/57/333824557.db2.gz	TXVYVUCUJNJILY-JTQLQIEISA-N	-1	0	281.360	0.761	20	30		CCEDRM
CC#CC[C@H](NS(=O)(=O)N1CC[C@H](C)C1)C(=O)[O-]	ZINC000542857875	333845902	/nfs/dbraw/zinc/84/59/02/333845902.db2.gz	BHLIGIZBZHCPGJ-UWVGGRQHSA-N	-1	0	274.342	0.029	20	30		CCEDRM
Cc1n[nH]cc1-c1n[n-]c(=NC(=O)NC[C@H](C)C#N)s1	ZINC000547755069	334114712	/nfs/dbraw/zinc/11/47/12/334114712.db2.gz	PGRXCNFLINHSBD-ZCFIWIBFSA-N	-1	0	291.340	0.940	20	30		CCEDRM
C[C@@H]1CCN(S(=O)(=O)CCCC#N)[C@H](C(=O)[O-])C1	ZINC000548577310	334162846	/nfs/dbraw/zinc/16/28/46/334162846.db2.gz	WDROHCRKAVWNMX-ZJUUUORDSA-N	-1	0	274.342	0.805	20	30		CCEDRM
N#Cc1cc(C(=O)N2CCC(c3n[nH]c(=O)[n-]3)CC2)ccn1	ZINC000565544576	334573210	/nfs/dbraw/zinc/57/32/10/334573210.db2.gz	MXSOQSVAZCJIDQ-UHFFFAOYSA-N	-1	0	298.306	0.797	20	30		CCEDRM
C=CCN(C)S(=O)(=O)c1cnc(C)c(C(=O)[O-])c1	ZINC000576751481	335243098	/nfs/dbraw/zinc/24/30/98/335243098.db2.gz	KAMJJBDKYWAHSL-UHFFFAOYSA-N	-1	0	270.310	0.895	20	30		CCEDRM
C[C@H](CC#N)N(C)S(=O)(=O)NC1(C(=O)[O-])CCCC1	ZINC000577164097	335312748	/nfs/dbraw/zinc/31/27/48/335312748.db2.gz	JDSZKAXGXFWUBU-SECBINFHSA-N	-1	0	289.357	0.452	20	30		CCEDRM
C=CCCCS(=O)(=O)N(CCOC)[C@H](C)C(=O)[O-]	ZINC000580687321	335322792	/nfs/dbraw/zinc/32/27/92/335322792.db2.gz	MYRIWAWHQNEFKZ-SNVBAGLBSA-N	-1	0	279.358	0.704	20	30		CCEDRM
C=CCOC[C@@H](NC(=O)NC[C@H]1CCCOC1)C(=O)[O-]	ZINC000580691962	335331069	/nfs/dbraw/zinc/33/10/69/335331069.db2.gz	XYVHPQHQQNZISQ-GHMZBOCLSA-N	-1	0	286.328	0.368	20	30		CCEDRM
C=C[C@H](CCC(=O)[O-])NS(=O)(=O)N(C)CCCC	ZINC000577703381	335390519	/nfs/dbraw/zinc/39/05/19/335390519.db2.gz	ZWQCZMPXOIQAPH-SNVBAGLBSA-N	-1	0	278.374	0.972	20	30		CCEDRM
C=CCCS(=O)(=O)N1CCC[C@H]([C@@H](O)C(=O)[O-])C1	ZINC000578293575	335595989	/nfs/dbraw/zinc/59/59/89/335595989.db2.gz	RAEUDYCSTALSNU-VHSXEESVSA-N	-1	0	277.342	0.050	20	30		CCEDRM
C=CCN=c1[n-]nc(SCc2nnn(C)n2)s1	ZINC000579070859	335705848	/nfs/dbraw/zinc/70/58/48/335705848.db2.gz	WOUDUWQISCXTDP-UHFFFAOYSA-N	-1	0	269.359	0.374	20	30		CCEDRM
C[C@@H]1C[C@]1(C#N)C(=O)N1CCC[C@H](c2n[nH]c(=O)[n-]2)C1	ZINC000579235046	335724933	/nfs/dbraw/zinc/72/49/33/335724933.db2.gz	VSKNLCWLBNDREB-VYUIOLGVSA-N	-1	0	275.312	0.766	20	30		CCEDRM
C[C@@H]1CCN(S(=O)(=O)CCCC#N)C[C@@H]1C(=O)[O-]	ZINC000579952855	335935399	/nfs/dbraw/zinc/93/53/99/335935399.db2.gz	RXMKMPYJQZAVFN-ZJUUUORDSA-N	-1	0	274.342	0.663	20	30		CCEDRM
CCN([C@@H](C)CC(=O)[O-])S(=O)(=O)c1cncc(C#N)c1	ZINC000383919967	336119236	/nfs/dbraw/zinc/11/92/36/336119236.db2.gz	RSDYILINBRNZQS-VIFPVBQESA-N	-1	0	297.336	0.827	20	30		CCEDRM
COCC[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)[O-]	ZINC000052785959	521975021	/nfs/dbraw/zinc/97/50/21/521975021.db2.gz	OJCHHROVHUVOHO-NSHDSACASA-N	-1	0	298.320	0.326	20	30		CCEDRM
CSc1[n-]c(=O)c(C(=O)NCC[C@H](C)O)cc1C#N	ZINC000339940546	526214610	/nfs/dbraw/zinc/21/46/10/526214610.db2.gz	WDLBZJYDKZIACR-ZETCQYMHSA-N	-1	0	281.337	0.881	20	30		CCEDRM
C=CCCOCC(=O)NC1(CC(=O)[O-])CCOCC1	ZINC000678979004	545400653	/nfs/dbraw/zinc/40/06/53/545400653.db2.gz	KJRAPULMUASIIX-UHFFFAOYSA-N	-1	0	271.313	0.719	20	30		CCEDRM
COCCC[C@@H](C)C(=O)N=c1[n-]n(C)cc1C#N	ZINC000349190918	536649661	/nfs/dbraw/zinc/64/96/61/536649661.db2.gz	LDLGTYNNXRZMTA-SECBINFHSA-N	-1	0	250.302	0.715	20	30		CCEDRM
C=CC[C@@H](NS(=O)(=O)C[C@@H]1CCCCO1)C(=O)[O-]	ZINC000681557984	545456213	/nfs/dbraw/zinc/45/62/13/545456213.db2.gz	JQXRGONNYCJIND-VHSXEESVSA-N	-1	0	277.342	0.504	20	30		CCEDRM
CCC[C@@H](NC(=O)[O-])C(=O)N1CCN(C2CC2)[C@H](C#N)C1	ZINC000739314387	581107178	/nfs/dbraw/zinc/10/71/78/581107178.db2.gz	PLVGSDKUHJIUIE-VXGBXAGGSA-N	-1	0	294.355	0.621	20	30		CCEDRM
C[C@H](NC(=O)[O-])C(=O)NCc1ccc(C#N)cc1F	ZINC000738995884	581117492	/nfs/dbraw/zinc/11/74/92/581117492.db2.gz	QJTSSKOSNXCCTL-ZETCQYMHSA-N	-1	0	265.244	0.970	20	30		CCEDRM
N#C[C@@H](C(=O)CCCNC(=O)[O-])C(=O)Nc1ccccn1	ZINC000739076076	581171257	/nfs/dbraw/zinc/17/12/57/581171257.db2.gz	YMLJMZFANNMGQP-VIFPVBQESA-N	-1	0	290.279	0.777	20	30		CCEDRM
N#CCN(CC(=O)[O-])C(=O)[C@H]1CCCN(C(=O)C2CC2)C1	ZINC000739077034	581171478	/nfs/dbraw/zinc/17/14/78/581171478.db2.gz	GMKKAXYITTVUHH-NSHDSACASA-N	-1	0	293.323	0.072	20	30		CCEDRM
C[C@@H]1CN(CC(=O)NCCC#N)C[C@@H](C)N1C(=O)[O-]	ZINC000739167273	581188226	/nfs/dbraw/zinc/18/82/26/581188226.db2.gz	ABALFVYHLHLLOG-NXEZZACHSA-N	-1	0	268.317	0.089	20	30		CCEDRM
CC(=NNC1=NC[C@@H](C)N1)c1ccc([O-])c([N+](=O)[O-])c1	ZINC000779797094	581206096	/nfs/dbraw/zinc/20/60/96/581206096.db2.gz	ACQDAKBRYFDOSR-SSDOTTSWSA-N	-1	0	277.284	0.962	20	30		CCEDRM
CC#CCS(=O)(=O)[N-]C(=O)c1cnn(C(C)(C)C)c1	ZINC000791106641	581207573	/nfs/dbraw/zinc/20/75/73/581207573.db2.gz	JAROJMMTLFQQGT-UHFFFAOYSA-N	-1	0	283.353	0.721	20	30		CCEDRM
N#Cc1ccc(C(=O)[N-]S(=O)(=O)C[C@H]2CCCO2)cn1	ZINC000781507889	581270923	/nfs/dbraw/zinc/27/09/23/581270923.db2.gz	NACAZHDGRINKOW-LLVKDONJSA-N	-1	0	295.320	0.192	20	30		CCEDRM
CC[C@@H](NN=C(C)c1cccc(-n2cnnn2)c1)C(=O)[O-]	ZINC000793057252	581282576	/nfs/dbraw/zinc/28/25/76/581282576.db2.gz	NINALNIBBOMZIN-GFCCVEGCSA-N	-1	0	288.311	0.839	20	30		CCEDRM
CC[C@@H](NN=Cc1cccn1CC(=O)OC)C(=O)[O-]	ZINC000793080331	581283781	/nfs/dbraw/zinc/28/37/81/581283781.db2.gz	XFCWEGCFADXAKR-SNVBAGLBSA-N	-1	0	267.285	0.448	20	30		CCEDRM
CC1(C(=O)[N-]S(=O)(=O)CC2(C#N)CC2)CCC1	ZINC000793194706	581287834	/nfs/dbraw/zinc/28/78/34/581287834.db2.gz	VRMDNDMQNDAXBW-UHFFFAOYSA-N	-1	0	256.327	0.926	20	30		CCEDRM
Cc1noc(C)c1C(=O)[N-]S(=O)(=O)CC1(C#N)CC1	ZINC000793212695	581288427	/nfs/dbraw/zinc/28/84/27/581288427.db2.gz	SFFATDLKIPDPMY-UHFFFAOYSA-N	-1	0	283.309	0.655	20	30		CCEDRM
N#CCOc1ccc(CC(=O)NCCC(=O)[O-])cc1	ZINC000738425548	581317203	/nfs/dbraw/zinc/31/72/03/581317203.db2.gz	GXVQGCFYQVOIMB-UHFFFAOYSA-N	-1	0	262.265	0.722	20	30		CCEDRM
N#CCOc1ccc(CN2CCO[C@H](C(=O)[O-])C2)cc1	ZINC000738426154	581317893	/nfs/dbraw/zinc/31/78/93/581317893.db2.gz	NDURZDRVKQPYJW-ZDUSSCGKSA-N	-1	0	276.292	0.874	20	30		CCEDRM
N#CCn1cc(NC(=O)[C@H]2CCC[C@H]2NC(=O)[O-])cn1	ZINC000740310870	581323610	/nfs/dbraw/zinc/32/36/10/581323610.db2.gz	KOWLGNZYEXDUMJ-VHSXEESVSA-N	-1	0	277.284	0.781	20	30		CCEDRM
CCO[C@H](C)C(=O)OCc1cc(=O)n2[n-]cc(C#N)c2n1	ZINC000782881568	581325425	/nfs/dbraw/zinc/32/54/25/581325425.db2.gz	BAQNQURDGHPNNG-MRVPVSSYSA-N	-1	0	290.279	0.775	20	30		CCEDRM
C#CCCN1CCN(C(=O)[C@H](NC(=O)[O-])[C@@H](C)CC)CC1	ZINC000738456933	581331046	/nfs/dbraw/zinc/33/10/46/581331046.db2.gz	GOWUGBLPBOZMCU-QWHCGFSZSA-N	-1	0	295.383	0.836	20	30		CCEDRM
C#Cc1ccc(C(=O)N2CCC(NC(=O)[O-])CC2)nc1	ZINC000738469866	581343128	/nfs/dbraw/zinc/34/31/28/581343128.db2.gz	ISENZEPZGFWIIU-UHFFFAOYSA-N	-1	0	273.292	0.935	20	30		CCEDRM
C#CCOCCNC(=O)C[C@@]1(C(=O)[O-])CCSC1	ZINC000783685301	581356206	/nfs/dbraw/zinc/35/62/06/581356206.db2.gz	LYRMPMKIEFYCGH-LBPRGKRZSA-N	-1	0	271.338	0.350	20	30		CCEDRM
C=CC1CCN(C(=O)CN2CCN(C(=O)[O-])CC2=O)CC1	ZINC000738488007	581358059	/nfs/dbraw/zinc/35/80/59/581358059.db2.gz	FJIVSDDWFIJFCS-UHFFFAOYSA-N	-1	0	295.339	0.233	20	30		CCEDRM
C[C@@H]1C[C@H](C(=O)[N-]S(=O)(=O)c2ccc(C#N)cc2)CO1	ZINC000784481737	581385931	/nfs/dbraw/zinc/38/59/31/581385931.db2.gz	FPKPMVFYYPUSHQ-KOLCDFICSA-N	-1	0	294.332	0.788	20	30		CCEDRM
CC[C@H](C)CO[N-]C(=O)[C@H](C)n1cnc(C#N)n1	ZINC000794870478	581389923	/nfs/dbraw/zinc/38/99/23/581389923.db2.gz	MUAXSMGLAWPYRK-IUCAKERBSA-N	-1	0	251.290	0.805	20	30		CCEDRM
Cn1cc2c(n1)CC/C(=C/c1cn(CC(=O)[O-])nn1)C2=O	ZINC000794961780	581392631	/nfs/dbraw/zinc/39/26/31/581392631.db2.gz	KQUAAWJKXCMMKH-YWEYNIOJSA-N	-1	0	287.279	0.309	20	30		CCEDRM
N#Cc1c(F)cccc1S(=O)(=O)[N-]N1CCCNC1=O	ZINC000784723144	581392927	/nfs/dbraw/zinc/39/29/27/581392927.db2.gz	BDHNZMYRMPILSH-UHFFFAOYSA-N	-1	0	298.299	0.306	20	30		CCEDRM
CCOCCS(=O)(=O)[N-]C(=O)CC(C)(C)C#N	ZINC000786418399	581440320	/nfs/dbraw/zinc/44/03/20/581440320.db2.gz	INFONDUYPBKELI-UHFFFAOYSA-N	-1	0	262.331	0.409	20	30		CCEDRM
CC(C)(C#N)CS(=O)(=O)[N-]C(=O)C[C@@H]1CCCOC1	ZINC000796811014	581451290	/nfs/dbraw/zinc/45/12/90/581451290.db2.gz	GJODYKJJOQNFAX-JTQLQIEISA-N	-1	0	288.369	0.799	20	30		CCEDRM
CCC(=O)[N-]S(=O)(=O)c1ccc(C#N)cc1OC	ZINC000796843414	581451905	/nfs/dbraw/zinc/45/19/05/581451905.db2.gz	LQGJRRNGZDATOA-UHFFFAOYSA-N	-1	0	268.294	0.782	20	30		CCEDRM
Cc1cc(C#N)ccc1C(=O)[N-]S(=O)(=O)c1cc[nH]n1	ZINC000796884826	581453754	/nfs/dbraw/zinc/45/37/54/581453754.db2.gz	WWJBUPDQRATQDH-UHFFFAOYSA-N	-1	0	290.304	0.709	20	30		CCEDRM
C=CCC(C)(C)C(=O)[N-]S(=O)(=O)CCOCCOC	ZINC000796980418	581457058	/nfs/dbraw/zinc/45/70/58/581457058.db2.gz	GRXZGOTUSANWKD-UHFFFAOYSA-N	-1	0	293.385	0.698	20	30		CCEDRM
COC(=O)[C@H](C)S(=O)(=O)[N-]C(=O)c1ccc(C#N)cc1	ZINC000797292792	581464162	/nfs/dbraw/zinc/46/41/62/581464162.db2.gz	UWVVCEWJAXQROL-QMMMGPOBSA-N	-1	0	296.304	0.179	20	30		CCEDRM
N#Cc1ccc(N2CCC[C@H]2C(=O)[N-]OCCO)cc1	ZINC000787294639	581465654	/nfs/dbraw/zinc/46/56/54/581465654.db2.gz	XDMSQRJMXPLAMM-ZDUSSCGKSA-N	-1	0	275.308	0.567	20	30		CCEDRM
N#CCCNC(=O)Cn1c(=O)c2ccccc2[n-]c1=S	ZINC000787926579	581481871	/nfs/dbraw/zinc/48/18/71/581481871.db2.gz	ZIWNHORXLQNZGA-UHFFFAOYSA-N	-1	0	288.332	0.715	20	30		CCEDRM
C[C@@H]1CN(C(=O)CSCC#N)CCN1C(=O)[O-]	ZINC000739135448	581509681	/nfs/dbraw/zinc/50/96/81/581509681.db2.gz	MCMUWYXDEWPKSY-MRVPVSSYSA-N	-1	0	257.315	0.454	20	30		CCEDRM
Cc1nnc2ccc(C([O-])=C(C#N)C(=O)NC(C)C)cn12	ZINC000733679425	581517992	/nfs/dbraw/zinc/51/79/92/581517992.db2.gz	HHRKXOBHWAPQFS-LLVKDONJSA-N	-1	0	285.307	0.885	20	30		CCEDRM
CCC[C@](C)(NC(=O)[O-])C(=O)N1CCO[C@@H](C#N)C1	ZINC000739282842	581530895	/nfs/dbraw/zinc/53/08/95/581530895.db2.gz	DYJGBSUYWSWVRP-CABZTGNLSA-N	-1	0	269.301	0.564	20	30		CCEDRM
CCC[C@](C)(NC(=O)[O-])C(=O)NC1CCN(CC#N)CC1	ZINC000739287956	581532167	/nfs/dbraw/zinc/53/21/67/581532167.db2.gz	GOPOOVCGEADUME-AWEZNQCLSA-N	-1	0	296.371	0.917	20	30		CCEDRM
C=CCNC(=O)C(C#N)=C([O-])c1cn(CCC)nn1	ZINC000766623901	581573622	/nfs/dbraw/zinc/57/36/22/581573622.db2.gz	UYTLEFZWFOBMDP-VIFPVBQESA-N	-1	0	261.285	0.313	20	30		CCEDRM
N#Cc1ccccc1C=CC(=O)NCc1n[nH]c(=O)[n-]1	ZINC000754353379	581587105	/nfs/dbraw/zinc/58/71/05/581587105.db2.gz	CUEFSQZJHLOBDV-AATRIKPKSA-N	-1	0	269.264	0.712	20	30		CCEDRM
CN(CCCNC(=O)[O-])C(=O)c1ccc(C#N)nc1	ZINC000739674512	581591225	/nfs/dbraw/zinc/59/12/25/581591225.db2.gz	JZASYWIODANCDC-UHFFFAOYSA-N	-1	0	262.269	0.683	20	30		CCEDRM
CC#CCS(=O)(=O)[N-]C(=O)[C@H](C)C1CCOCC1	ZINC000788067494	581610043	/nfs/dbraw/zinc/61/00/43/581610043.db2.gz	FASRBYQJAMFJDY-SNVBAGLBSA-N	-1	0	273.354	0.518	20	30		CCEDRM
C=CCOCC(=O)OCC(=O)NC(=O)c1cccs1	ZINC000729765386	581614164	/nfs/dbraw/zinc/61/41/64/581614164.db2.gz	IGEMTXWFQINHTE-UHFFFAOYSA-N	-1	0	283.305	0.750	20	30		CCEDRM
COCCN(CC(=O)[C@H](C#N)c1ccccn1)C(=O)[O-]	ZINC000739812758	581622270	/nfs/dbraw/zinc/62/22/70/581622270.db2.gz	KFJNKRBIWACROX-SNVBAGLBSA-N	-1	0	277.280	0.884	20	30		CCEDRM
COCCN(CCC#N)C(=O)[C@H]1CCN(C(=O)[O-])C1	ZINC000739829769	581625780	/nfs/dbraw/zinc/62/57/80/581625780.db2.gz	VTXQZETZRTZJQL-JTQLQIEISA-N	-1	0	269.301	0.375	20	30		CCEDRM
CN(CC(=O)[O-])CC(=O)NC1(C#N)CCCCC1	ZINC000739631709	581628315	/nfs/dbraw/zinc/62/83/15/581628315.db2.gz	ZJTAYLVRADGNND-UHFFFAOYSA-N	-1	0	253.302	0.345	20	30		CCEDRM
CON=Cc1ccc(C(=O)NCCC(=O)[O-])cc1	ZINC000739848835	581629816	/nfs/dbraw/zinc/62/98/16/581629816.db2.gz	PGQOEHYKDIAQGZ-UHFFFAOYSA-N	-1	0	250.254	0.871	20	30		CCEDRM
CC#CCCCC(=O)[N-]S(=O)(=O)N(C)CCOC	ZINC000767993125	581639992	/nfs/dbraw/zinc/63/99/92/581639992.db2.gz	LGABRKOASBBENC-UHFFFAOYSA-N	-1	0	276.358	0.119	20	30		CCEDRM
COc1ccccc1[C@@H](NC(=O)[O-])C(=O)NCC#N	ZINC000739979900	581640818	/nfs/dbraw/zinc/64/08/18/581640818.db2.gz	TVLJGWHURXYEBT-SNVBAGLBSA-N	-1	0	263.253	0.644	20	30		CCEDRM
N#C[C@H](C(=O)COCCNC(=O)[O-])C(=O)NC1CCCC1	ZINC000740303550	581661976	/nfs/dbraw/zinc/66/19/76/581661976.db2.gz	KRRHSGRFCWNGKP-SNVBAGLBSA-N	-1	0	297.311	0.038	20	30		CCEDRM
N#C[C@H]1CN(CC2CCN(C(=O)[O-])CC2)CCO1	ZINC000740306784	581662534	/nfs/dbraw/zinc/66/25/34/581662534.db2.gz	KMFRSUDSZJIFKO-NSHDSACASA-N	-1	0	253.302	0.601	20	30		CCEDRM
N#CCN(CC#N)C(=O)C1CCC(NC(=O)[O-])CC1	ZINC000740305897	581662972	/nfs/dbraw/zinc/66/29/72/581662972.db2.gz	WRUCYRBTHKVGLP-UHFFFAOYSA-N	-1	0	264.285	0.689	20	30		CCEDRM
N#Cc1ccc(C(=O)N[C@@H](CNC(=O)[O-])C2CC2)cn1	ZINC000740312037	581663848	/nfs/dbraw/zinc/66/38/48/581663848.db2.gz	AFJWVPYTWZOZFI-NSHDSACASA-N	-1	0	274.280	0.729	20	30		CCEDRM
N#CC1(NC(=O)[C@H]2CCN(C(=O)[O-])C2)CCOCC1	ZINC000740309932	581663868	/nfs/dbraw/zinc/66/38/68/581663868.db2.gz	PRURJFCKJAYWRK-VIFPVBQESA-N	-1	0	267.285	0.175	20	30		CCEDRM
N#CC1(NC(=O)CN2CC[C@@H](NC(=O)[O-])C2)CCCCC1	ZINC000740309500	581663908	/nfs/dbraw/zinc/66/39/08/581663908.db2.gz	KDDWJZDCKYRURV-LLVKDONJSA-N	-1	0	294.355	0.671	20	30		CCEDRM
N#Cc1ccc(C(=O)N2CCC(NC(=O)[O-])CC2)cn1	ZINC000740312262	581664451	/nfs/dbraw/zinc/66/44/51/581664451.db2.gz	BRTPNMXXKXWJEO-UHFFFAOYSA-N	-1	0	274.280	0.825	20	30		CCEDRM
N#Cc1ccc([C@H](C(N)=O)N2CC[C@H](NC(=O)[O-])C2)cc1	ZINC000740313578	581664757	/nfs/dbraw/zinc/66/47/57/581664757.db2.gz	USYIQZLUSBLVNY-NWDGAFQWSA-N	-1	0	288.307	0.427	20	30		CCEDRM
N#Cc1ccc(NCCNC(=O)CSCC(=O)[O-])nc1	ZINC000740318880	581665048	/nfs/dbraw/zinc/66/50/48/581665048.db2.gz	GTENDOBGZYEISW-UHFFFAOYSA-N	-1	0	294.336	0.299	20	30		CCEDRM
N#Cc1ccc(S(=O)(=O)NCCCNC(=O)[O-])cc1	ZINC000740321418	581665341	/nfs/dbraw/zinc/66/53/41/581665341.db2.gz	LTUWDUZXNFHKCE-UHFFFAOYSA-N	-1	0	283.309	0.494	20	30		CCEDRM
C=C(C)[C@H](CC(=O)[N-]S(=O)(=O)N(C)CC)OCC	ZINC000756567799	581672012	/nfs/dbraw/zinc/67/20/12/581672012.db2.gz	MUAXMMOPLRRWNG-JTQLQIEISA-N	-1	0	278.374	0.670	20	30		CCEDRM
NC(=O)c1ccc(N=NCc2ccccc2C(=O)[O-])nn1	ZINC000756831464	581679263	/nfs/dbraw/zinc/67/92/63/581679263.db2.gz	KDBFAJJBYSLYCA-UHFFFAOYSA-N	-1	0	285.263	0.720	20	30		CCEDRM
O=C([O-])N1CC(=NNS(=O)(=O)c2ccccc2)C1	ZINC000740488970	581686485	/nfs/dbraw/zinc/68/64/85/581686485.db2.gz	VRKPVEHXWNAEDZ-UHFFFAOYSA-N	-1	0	269.282	0.315	20	30		CCEDRM
C#CCN1CCC[C@H]1C(=O)Nc1ccn(CC(=O)[O-])n1	ZINC000736079378	581687348	/nfs/dbraw/zinc/68/73/48/581687348.db2.gz	LQAVQJDYHWSUCD-JTQLQIEISA-N	-1	0	276.296	0.004	20	30		CCEDRM
C#CCN(Cc1occc1C(=O)[O-])[C@@H]1CCS(=O)(=O)C1	ZINC000736080731	581688180	/nfs/dbraw/zinc/68/81/80/581688180.db2.gz	XBYFMDAIENOLOQ-SNVBAGLBSA-N	-1	0	297.332	0.600	20	30		CCEDRM
C#CCN1CCC[C@H]1C(=O)[N-]O[C@@H]1CCCCO1	ZINC000730284458	581692533	/nfs/dbraw/zinc/69/25/33/581692533.db2.gz	PYWHTDATMTZEDA-NWDGAFQWSA-N	-1	0	252.314	0.658	20	30		CCEDRM
C#CCNC(=O)COC(=O)c1ccccc1C(=O)[O-]	ZINC000736075675	581694550	/nfs/dbraw/zinc/69/45/50/581694550.db2.gz	ARTNXOAWSXUPLM-UHFFFAOYSA-N	-1	0	261.233	0.291	20	30		CCEDRM
C=CCNC(=O)CN[C@H](C(=O)[O-])c1ccc(OC)cc1	ZINC000736105884	581696699	/nfs/dbraw/zinc/69/66/99/581696699.db2.gz	NNSHPCZALBLAPO-ZDUSSCGKSA-N	-1	0	278.308	0.713	20	30		CCEDRM
C=CCNC(=O)NC(=O)[C@@H](C)S[C@H](C)CC(=O)[O-]	ZINC000736105796	581696714	/nfs/dbraw/zinc/69/67/14/581696714.db2.gz	LQZNLVYKGKXCCU-HTQZYQBOSA-N	-1	0	274.342	0.983	20	30		CCEDRM
C=CCN1C(=O)N[C@@H](c2cn(C)nn2)C(C(=O)[O-])=C1C	ZINC000736107580	581697458	/nfs/dbraw/zinc/69/74/58/581697458.db2.gz	ZAWDNWYTWLPGLH-JTQLQIEISA-N	-1	0	277.284	0.426	20	30		CCEDRM
C=CCN(CC(=O)OCC)C(=O)[C@@H]1C[C@H]1C(=O)[O-]	ZINC000736108004	581697817	/nfs/dbraw/zinc/69/78/17/581697817.db2.gz	FZKMDWAGAYMJDX-RKDXNWHRSA-N	-1	0	255.270	0.285	20	30		CCEDRM
C=CCOCC(=O)Nc1cc(C(=O)[O-])c[nH]c1=O	ZINC000736109342	581702751	/nfs/dbraw/zinc/70/27/51/581702751.db2.gz	JONALFIXOXXOQO-UHFFFAOYSA-N	-1	0	252.226	0.627	20	30		CCEDRM
CC(C)[C@](C)(C#N)NC(=O)[C@@H](C)N1CCO[C@H](C(=O)[O-])C1	ZINC000736212484	581715526	/nfs/dbraw/zinc/71/55/26/581715526.db2.gz	SPGQEAJWBIYSQR-SUNKGSAMSA-N	-1	0	297.355	0.215	20	30		CCEDRM
CCc1noc([C@H](C)n2ccc(C=NO)nc2=O)n1	ZINC000736302099	581732935	/nfs/dbraw/zinc/73/29/35/581732935.db2.gz	FWAXQMHYYDTGNL-ZETCQYMHSA-N	-1	0	263.257	0.606	20	30		CCEDRM
CC(C)(C#N)NC(=O)CN(C[C@H]1CCCO1)C(=O)[O-]	ZINC000738651238	581734112	/nfs/dbraw/zinc/73/41/12/581734112.db2.gz	JTZUWBVXNWYVPB-SECBINFHSA-N	-1	0	269.301	0.564	20	30		CCEDRM
CC(C)[C@H](C#N)N1CCN(C(=O)C(C)(C)NC(=O)[O-])CC1	ZINC000736347141	581746745	/nfs/dbraw/zinc/74/67/45/581746745.db2.gz	FFFLPRWNXDEBIT-NSHDSACASA-N	-1	0	296.371	0.725	20	30		CCEDRM
COc1ccc(C=NN2CN=NC2=O)c(OCC(=O)[O-])c1	ZINC000770615850	581756350	/nfs/dbraw/zinc/75/63/50/581756350.db2.gz	SEPCOUSWPKABBE-UHFFFAOYSA-N	-1	0	292.251	0.338	20	30		CCEDRM
CC(C)C[C@@H](NC(=O)[O-])C(=O)N1CCO[C@@H](C#N)C1	ZINC000736418624	581763453	/nfs/dbraw/zinc/76/34/53/581763453.db2.gz	BWGZKSWIYMSUGI-VHSXEESVSA-N	-1	0	269.301	0.420	20	30		CCEDRM
CCNC(=O)CCCC(=O)C(C#N)=C([O-])c1nccn1C	ZINC000770730096	581765063	/nfs/dbraw/zinc/76/50/63/581765063.db2.gz	KYNFSPSLRQJJFQ-JTQLQIEISA-N	-1	0	290.323	0.618	20	30		CCEDRM
O=C([O-])Cn1cc(/C=C\C(=O)c2cnccn2)nn1	ZINC000759084211	581782526	/nfs/dbraw/zinc/78/25/26/581782526.db2.gz	OFDKEVUHEVQNDQ-UPHRSURJSA-N	-1	0	259.225	0.049	20	30		CCEDRM
N#Cc1ccc(C(=O)N2CCO[C@@H](c3nnn[n-]3)C2)cc1	ZINC000731854919	581784116	/nfs/dbraw/zinc/78/41/16/581784116.db2.gz	LKEDFXYBMMKHAU-LLVKDONJSA-N	-1	0	284.279	0.285	20	30		CCEDRM
CC(C)c1noc(CCC(=O)N(CC#N)CC(=O)[O-])n1	ZINC000736538931	581785571	/nfs/dbraw/zinc/78/55/71/581785571.db2.gz	XXABOXBJVNZPPG-UHFFFAOYSA-N	-1	0	280.284	0.562	20	30		CCEDRM
Cc1c(CCC(=O)C(C#N)=C([O-])c2nccn2C)cnn1C	ZINC000759456819	581799861	/nfs/dbraw/zinc/79/98/61/581799861.db2.gz	MYGWVTIJLFRCIN-LBPRGKRZSA-N	-1	0	299.334	0.986	20	30		CCEDRM
C[C@H](CNC(=O)COc1cccc(C#N)c1)C(=O)[O-]	ZINC000736595996	581802466	/nfs/dbraw/zinc/80/24/66/581802466.db2.gz	PQIBBRUAYNJXQF-SECBINFHSA-N	-1	0	262.265	0.774	20	30		CCEDRM
C[C@H](NC(=O)Cn1cc(C(=O)[O-])nn1)c1ccc(C#N)cc1	ZINC000736641591	581810501	/nfs/dbraw/zinc/81/05/01/581810501.db2.gz	GKBSQMGJJANHHT-VIFPVBQESA-N	-1	0	299.290	0.725	20	30		CCEDRM
N#Cc1ccc(CN(C(=O)c2cc(=O)[nH][n-]2)C2CC2)cc1	ZINC000732268347	581812313	/nfs/dbraw/zinc/81/23/13/581812313.db2.gz	JGBDYGYQYGQBNR-UHFFFAOYSA-N	-1	0	282.303	0.925	20	30		CCEDRM
C[C@@H](OC(=O)CCCN(C)C(=O)[O-])C(=O)N(C)CCC#N	ZINC000736682421	581817373	/nfs/dbraw/zinc/81/73/73/581817373.db2.gz	FLOFRLBURYPHSQ-SNVBAGLBSA-N	-1	0	299.327	0.680	20	30		CCEDRM
CC(C)(CNC(=O)[O-])NS(=O)(=O)CCCCC#N	ZINC000738752097	581849616	/nfs/dbraw/zinc/84/96/16/581849616.db2.gz	JSQQKYDZQKSSEF-UHFFFAOYSA-N	-1	0	277.346	0.646	20	30		CCEDRM
C=CCS(=O)(=O)[N-]C(=O)c1cncc(C(=O)OC)c1	ZINC000760251096	581851476	/nfs/dbraw/zinc/85/14/76/581851476.db2.gz	KJTNBLWJLWUNDS-UHFFFAOYSA-N	-1	0	284.293	0.114	20	30		CCEDRM
C=CCS(=O)(=O)[N-]C(=O)C[C@@H](OCC)C(=C)C	ZINC000772715256	581885394	/nfs/dbraw/zinc/88/53/94/581885394.db2.gz	GXRFEDNWDGFKAC-SNVBAGLBSA-N	-1	0	261.343	0.990	20	30		CCEDRM
C=CCS(=O)(=O)[N-]C(=O)CCc1nccs1	ZINC000772716985	581886159	/nfs/dbraw/zinc/88/61/59/581886159.db2.gz	LMHFCNIRISQPEZ-UHFFFAOYSA-N	-1	0	260.340	0.708	20	30		CCEDRM
CNC(=O)C(C#N)=C([O-])c1ccc2nccnc2c1	ZINC000761092895	581887840	/nfs/dbraw/zinc/88/78/40/581887840.db2.gz	JMKGNLLVVKCHKK-SECBINFHSA-N	-1	0	254.249	0.698	20	30		CCEDRM
N#Cc1ccc(CSCC(=O)[N-]OCC(N)=O)cc1	ZINC000772939202	581901434	/nfs/dbraw/zinc/90/14/34/581901434.db2.gz	GGHNOTSMGLDFIT-UHFFFAOYSA-N	-1	0	279.321	0.325	20	30		CCEDRM
CCNC(=O)CN[C@@H](C(=O)[O-])c1ccc(C#N)cc1	ZINC000737121059	581911409	/nfs/dbraw/zinc/91/14/09/581911409.db2.gz	CWFUFWRKOMCVCZ-GFCCVEGCSA-N	-1	0	261.281	0.410	20	30		CCEDRM
C=CCN(CC(=O)[O-])C(=O)[C@H](C)OC[C@H]1CCCO1	ZINC000762067112	581929879	/nfs/dbraw/zinc/92/98/79/581929879.db2.gz	IFCVNFXHFGQHHO-WDEREUQCSA-N	-1	0	271.313	0.670	20	30		CCEDRM
CCc1nc(C([O-])=C(C#N)C(=O)NCCOC)co1	ZINC000773976580	581950544	/nfs/dbraw/zinc/95/05/44/581950544.db2.gz	QOATYXJPAQGZPA-QMMMGPOBSA-N	-1	0	265.269	0.322	20	30		CCEDRM
CN(CC(=O)N(CC#N)CC(=O)[O-])c1ccccc1	ZINC000737387113	581951162	/nfs/dbraw/zinc/95/11/62/581951162.db2.gz	PWLQGHBXLTUDAO-UHFFFAOYSA-N	-1	0	261.281	0.560	20	30		CCEDRM
CN(CC(=O)NCCOc1ccc(C#N)cc1)C(=O)[O-]	ZINC000737395539	581952214	/nfs/dbraw/zinc/95/22/14/581952214.db2.gz	YMAVPSMJCCQGDB-UHFFFAOYSA-N	-1	0	277.280	0.663	20	30		CCEDRM
C#CCSCCNC(=O)N1CCC[C@H](NC(=O)[O-])C1	ZINC000737496451	581965196	/nfs/dbraw/zinc/96/51/96/581965196.db2.gz	UURSYKBURRROJI-JTQLQIEISA-N	-1	0	285.369	0.794	20	30		CCEDRM
COC(=O)NCC(=O)O[C@H](C(=O)[O-])c1ccc(C#N)cc1	ZINC000737639602	581996046	/nfs/dbraw/zinc/99/60/46/581996046.db2.gz	YQSIIGAWXMGJKD-NSHDSACASA-N	-1	0	292.247	0.583	20	30		CCEDRM
C[C@@H](Oc1ccccc1C#N)C(=O)OCc1n[nH]c(=O)[n-]1	ZINC000774920140	582002317	/nfs/dbraw/zinc/00/23/17/582002317.db2.gz	SVVABHHYUTYIAA-MRVPVSSYSA-N	-1	0	288.263	0.893	20	30		CCEDRM
COc1ccc(C(=O)N(CC#N)CC(=O)[O-])cc1[N+](=O)[O-]	ZINC000737920363	582007399	/nfs/dbraw/zinc/00/73/99/582007399.db2.gz	CFWAPKZURHGTRO-UHFFFAOYSA-N	-1	0	293.235	0.654	20	30		CCEDRM
CN(C(=O)[O-])C1CCN(C(=O)CSCC#N)CC1	ZINC000737930662	582008583	/nfs/dbraw/zinc/00/85/83/582008583.db2.gz	RCOFAPVBQGDXGB-UHFFFAOYSA-N	-1	0	271.342	0.844	20	30		CCEDRM
N#CCCCS(=O)(=O)[N-]C(=O)[C@H]1CCc2n[nH]cc2C1	ZINC000764056609	582029649	/nfs/dbraw/zinc/02/96/49/582029649.db2.gz	YIWIZDWCFVWDNZ-VIFPVBQESA-N	-1	0	296.352	0.264	20	30		CCEDRM
Cc1cc(Cn2ccc(C=NO)nc2=O)oc1C(=O)[O-]	ZINC000738397680	582045276	/nfs/dbraw/zinc/04/52/76/582045276.db2.gz	XIMGAQHQCFAULZ-UHFFFAOYSA-N	-1	0	277.236	0.699	20	30		CCEDRM
N#Cc1ccc(C(=O)N2CCN(C(=O)[O-])CC2)nc1	ZINC000738431415	582048872	/nfs/dbraw/zinc/04/88/72/582048872.db2.gz	YPYGCVMCZNAXMO-UHFFFAOYSA-N	-1	0	260.253	0.389	20	30		CCEDRM
C#CCCNC(=O)N[C@@H]1CCCCN(C(=O)[O-])C1	ZINC000738457448	582052624	/nfs/dbraw/zinc/05/26/24/582052624.db2.gz	NXLUIOBHOFGPCG-SNVBAGLBSA-N	-1	0	253.302	0.841	20	30		CCEDRM
N#CCCCS(=O)(=O)[N-]C(=O)c1cn2ccccc2n1	ZINC000776123005	582052805	/nfs/dbraw/zinc/05/28/05/582052805.db2.gz	VLYRBKDTSUKNSP-UHFFFAOYSA-N	-1	0	292.320	0.698	20	30		CCEDRM
C#CCN1CCN(C(=O)C2CCC(NC(=O)[O-])CC2)CC1	ZINC000738461469	582053277	/nfs/dbraw/zinc/05/32/77/582053277.db2.gz	SOIBOFJGPGSAHH-UHFFFAOYSA-N	-1	0	293.367	0.590	20	30		CCEDRM
CCn1nc(C)cc1C(=O)[N-]S(=O)(=O)CC(C)(C)C#N	ZINC000776141904	582053953	/nfs/dbraw/zinc/05/39/53/582053953.db2.gz	CDUYYYCXNUAULJ-UHFFFAOYSA-N	-1	0	298.368	0.821	20	30		CCEDRM
C#Cc1ccc(C(=O)N(C)[C@H](C)CNC(=O)[O-])nc1	ZINC000738470049	582054419	/nfs/dbraw/zinc/05/44/19/582054419.db2.gz	MJEKFHZIRFZWNI-SECBINFHSA-N	-1	0	261.281	0.791	20	30		CCEDRM
C#Cc1ccc(C(=O)N(C)CCCNC(=O)[O-])cn1	ZINC000738471250	582054458	/nfs/dbraw/zinc/05/44/58/582054458.db2.gz	WKPTWJGCSRGKLX-UHFFFAOYSA-N	-1	0	261.281	0.793	20	30		CCEDRM
C#Cc1ccc(C(=O)N2CCN(C(=O)[O-])C[C@@H]2C)cn1	ZINC000738468440	582054464	/nfs/dbraw/zinc/05/44/64/582054464.db2.gz	WCEMBTHCPVLFRZ-JTQLQIEISA-N	-1	0	273.292	0.887	20	30		CCEDRM
C=CCN(C(=O)CN1CCN(C(=O)[O-])CC1=O)C(C)C	ZINC000738489498	582055265	/nfs/dbraw/zinc/05/52/65/582055265.db2.gz	FKLXZFBREGTFNW-UHFFFAOYSA-N	-1	0	283.328	0.232	20	30		CCEDRM
CCOCCS(=O)(=O)[N-]C(=O)c1ccc(C#N)s1	ZINC000750702982	582056323	/nfs/dbraw/zinc/05/63/23/582056323.db2.gz	UANZPQGDQYJMFL-UHFFFAOYSA-N	-1	0	288.350	0.716	20	30		CCEDRM
C=CCNC(=O)[C@H](C)N1CCC[C@H](N(C)C(=O)[O-])C1	ZINC000738495705	582056539	/nfs/dbraw/zinc/05/65/39/582056539.db2.gz	OBDRYIIKGWNLPL-QWRGUYRKSA-N	-1	0	269.345	0.751	20	30		CCEDRM
CS(=O)(=O)NN=Cc1ccc([O-])c([N+](=O)[O-])c1	ZINC000764708082	582063723	/nfs/dbraw/zinc/06/37/23/582063723.db2.gz	OZQKBDPCRADNKD-UHFFFAOYSA-N	-1	0	259.243	0.184	20	30		CCEDRM
C#C[C@@H](NC(=O)c1ccc(C(=O)[O-])nc1)[C@@H]1CCCO1	ZINC000776403916	582072235	/nfs/dbraw/zinc/07/22/35/582072235.db2.gz	HFQDCNSWWZRJLA-PWSUYJOCSA-N	-1	0	274.276	0.690	20	30		CCEDRM
CC(C)[C@H](C#N)N1CCN(C(=O)[C@@H](C)NC(=O)[O-])CC1	ZINC000738761545	582074251	/nfs/dbraw/zinc/07/42/51/582074251.db2.gz	KEZTXKSWPFBMQC-MNOVXSKESA-N	-1	0	282.344	0.335	20	30		CCEDRM
CC(C)[C@@](C)(C#N)NC(=O)CN1CC[C@H](NC(=O)[O-])C1	ZINC000738768148	582075112	/nfs/dbraw/zinc/07/51/12/582075112.db2.gz	WAYFLPGUDAWLFW-GXFFZTMASA-N	-1	0	282.344	0.383	20	30		CCEDRM
C[C@@H](CCNS(=O)(=O)CC1(C#N)CC1)C(=O)[O-]	ZINC000776589618	582083000	/nfs/dbraw/zinc/08/30/00/582083000.db2.gz	OCXZZZSSFOMKGQ-QMMMGPOBSA-N	-1	0	260.315	0.320	20	30		CCEDRM
N#CC1(CS(=O)(=O)N(CCC(=O)[O-])C2CC2)CC1	ZINC000776657702	582085724	/nfs/dbraw/zinc/08/57/24/582085724.db2.gz	OZQJDJMJVXCYIE-UHFFFAOYSA-N	-1	0	272.326	0.559	20	30		CCEDRM
N#CCCCS(=O)(=O)N1CCC(OCC(=O)[O-])CC1	ZINC000776695381	582086894	/nfs/dbraw/zinc/08/68/94/582086894.db2.gz	ALIZOAGSMXMSMA-UHFFFAOYSA-N	-1	0	290.341	0.186	20	30		CCEDRM
Cc1nn(C)c(C)c1C[C@@H](C)C(=O)N(CC#N)CC(=O)[O-]	ZINC000738909438	582087883	/nfs/dbraw/zinc/08/78/83/582087883.db2.gz	QMVFUQDBYQTNLR-SECBINFHSA-N	-1	0	292.339	0.652	20	30		CCEDRM
Cc1noc(C)c1CSCC(=O)N(CC#N)CC(=O)[O-]	ZINC000738944243	582092355	/nfs/dbraw/zinc/09/23/55/582092355.db2.gz	BMCJWTCPHAWJBJ-UHFFFAOYSA-N	-1	0	297.336	0.961	20	30		CCEDRM
COCCCNC(=O)C(C#N)=C([O-])c1cc(C#N)cn1C	ZINC000751824906	582093673	/nfs/dbraw/zinc/09/36/73/582093673.db2.gz	FFLFNMCDGRXSCZ-NSHDSACASA-N	-1	0	288.307	0.372	20	30		CCEDRM
N#CCN(CC(=O)[O-])C(=O)C1=Cc2ccccc2OC1	ZINC000739075886	582101208	/nfs/dbraw/zinc/10/12/08/582101208.db2.gz	PENUTRAADCLFSV-UHFFFAOYSA-N	-1	0	272.260	0.899	20	30		CCEDRM
N#CCN(CC(=O)[O-])C(=O)C(=O)Nc1ccc(Cl)cc1	ZINC000739075431	582101240	/nfs/dbraw/zinc/10/12/40/582101240.db2.gz	FVEPRHPUUTXNQX-UHFFFAOYSA-N	-1	0	295.682	0.715	20	30		CCEDRM
N#CCN(CC(=O)[O-])C(=O)COc1ccc(F)cc1F	ZINC000739078813	582101593	/nfs/dbraw/zinc/10/15/93/582101593.db2.gz	NISJPXNHJDLGTB-UHFFFAOYSA-N	-1	0	284.218	0.780	20	30		CCEDRM
N#CCN(CC(=O)[O-])C(=O)c1cncc(Br)c1	ZINC000739085757	582101790	/nfs/dbraw/zinc/10/17/90/582101790.db2.gz	CPKGIYLZFLPABG-UHFFFAOYSA-N	-1	0	298.096	0.894	20	30		CCEDRM
N#CCc1ccc(NC(=O)Cn2cnc(C(=O)[O-])n2)cc1	ZINC000739091769	582102154	/nfs/dbraw/zinc/10/21/54/582102154.db2.gz	MNKOWDYBGXIMJV-UHFFFAOYSA-N	-1	0	285.263	0.681	20	30		CCEDRM
N#CCN(CC(=O)[O-])S(=O)(=O)c1ccc2c(c1)CCO2	ZINC000739087485	582102179	/nfs/dbraw/zinc/10/21/79/582102179.db2.gz	ZTRKKYHTWNDERV-UHFFFAOYSA-N	-1	0	296.304	0.220	20	30		CCEDRM
C=C(C)C[C@H](C)C(=O)[N-]S(=O)(=O)CC(=O)OC	ZINC000838803111	613357054	/nfs/dbraw/zinc/35/70/54/613357054.db2.gz	XBNCKHGRJJNUNN-QMMMGPOBSA-N	-1	0	263.315	0.208	20	30		CCEDRM
COC[C@@H](C#N)OC(=O)CCC(C)(C)NC(=O)[O-]	ZINC000833882558	605643581	/nfs/dbraw/zinc/64/35/81/605643581.db2.gz	OJUXPWUCTBHBNP-MRVPVSSYSA-N	-1	0	258.274	0.895	20	30		CCEDRM
C[C@@H](C(=O)[O-])N(C)CC(=O)N(CCC#N)CCC#N	ZINC000054068665	597470902	/nfs/dbraw/zinc/47/09/02/597470902.db2.gz	YPZPLCIBPUGJQY-JTQLQIEISA-N	-1	0	266.301	0.047	20	30		CCEDRM
C[C@](C#N)(CC(=O)[O-])C(=O)OCC(=O)NC1CCCC1	ZINC000819865833	597604624	/nfs/dbraw/zinc/60/46/24/597604624.db2.gz	ORAXXKHZGHXYKR-CYBMUJFWSA-N	-1	0	282.296	0.593	20	30		CCEDRM
C[C@H](OC(=O)[C@](C)(C#N)CC(=O)[O-])C(=O)NC1CCCC1	ZINC000820162050	597620359	/nfs/dbraw/zinc/62/03/59/597620359.db2.gz	XLUHFBDWKPDKMG-XPTSAGLGSA-N	-1	0	296.323	0.981	20	30		CCEDRM
C[C@@](C#N)(CC(=O)[O-])C(=O)NC[C@@H](O)c1ccccc1	ZINC000819834408	597630045	/nfs/dbraw/zinc/63/00/45/597630045.db2.gz	MYJOAACYVAHIDL-RISCZKNCSA-N	-1	0	276.292	0.841	20	30		CCEDRM
C[C@](C#N)(CC(=O)[O-])C(=O)NCc1cn2c(n1)CCCC2	ZINC000819847490	597643430	/nfs/dbraw/zinc/64/34/30/597643430.db2.gz	NAOJHOBHDABTFG-CQSZACIVSA-N	-1	0	290.323	0.840	20	30		CCEDRM
C[C@@H](C#N)CNC(=O)C(=O)Nc1cccc(CC(=O)[O-])c1	ZINC000819873408	598170869	/nfs/dbraw/zinc/17/08/69/598170869.db2.gz	BFAZDWKTVPKWSE-VIFPVBQESA-N	-1	0	289.291	0.528	20	30		CCEDRM
C[C@](C#N)(CC(=O)[O-])C(=O)NCC(=O)NCc1ccco1	ZINC000819835976	598222934	/nfs/dbraw/zinc/22/29/34/598222934.db2.gz	YZGCOEHTRMXHSV-CYBMUJFWSA-N	-1	0	293.279	0.017	20	30		CCEDRM
Cc1nnc2n1C[C@@H](NC(=O)[C@](C)(C#N)CC(=O)[O-])CC2	ZINC000821224999	598226184	/nfs/dbraw/zinc/22/61/84/598226184.db2.gz	PONRNPQVPHIJAC-ZANVPECISA-N	-1	0	291.311	0.022	20	30		CCEDRM
C[C@@](C#N)(CC(=O)[O-])C(=O)Nc1ccn(CCC#N)n1	ZINC000819856748	598228075	/nfs/dbraw/zinc/22/80/75/598228075.db2.gz	MQMGOWKYGKBGOV-LBPRGKRZSA-N	-1	0	275.268	0.740	20	30		CCEDRM
C[C@H](NC(=O)[C@@](C)(C#N)CC(=O)OC(C)(C)C)C(=O)[O-]	ZINC000820115340	598230864	/nfs/dbraw/zinc/23/08/64/598230864.db2.gz	UWCHHAIJSBXPEO-ISVAXAHUSA-N	-1	0	284.312	0.837	20	30		CCEDRM
N#Cc1ccc(NC(=O)Cn2cc(C(=O)[O-])nn2)cc1	ZINC000090715536	599769522	/nfs/dbraw/zinc/76/95/22/599769522.db2.gz	VHAZDLPOKQYRJB-UHFFFAOYSA-N	-1	0	271.236	0.487	20	30		CCEDRM
N#Cc1ccc(CC(=O)N2CCO[C@@H](C(=O)[O-])C2)cc1	ZINC000704665220	599939587	/nfs/dbraw/zinc/93/95/87/599939587.db2.gz	LFQSXTSIBOQAGB-GFCCVEGCSA-N	-1	0	274.276	0.413	20	30		CCEDRM
N#C[C@@H]1CN(CCOc2cccc(C(=O)[O-])c2)CCO1	ZINC000093932976	599992511	/nfs/dbraw/zinc/99/25/11/599992511.db2.gz	VPJVXSLJBLRNHC-CYBMUJFWSA-N	-1	0	276.292	0.988	20	30		CCEDRM
C#CCNC(=O)NC[C@](C)(C(=O)[O-])c1ccccc1	ZINC000844267649	612947140	/nfs/dbraw/zinc/94/71/40/612947140.db2.gz	ILVMTLVKLFSZDE-AWEZNQCLSA-N	-1	0	260.293	0.961	20	30		CCEDRM
N#Cc1c(F)cccc1S(=O)(=O)N1CC[C@@H](C(=O)[O-])C1	ZINC000070394014	600716347	/nfs/dbraw/zinc/71/63/47/600716347.db2.gz	MQWWIMGJJXZSIO-MRVPVSSYSA-N	-1	0	298.295	0.793	20	30		CCEDRM
C[C@H](CC#N)NS(=O)(=O)c1c[nH]c(C(=O)[O-])c1	ZINC000050391982	600729406	/nfs/dbraw/zinc/72/94/06/600729406.db2.gz	DKRMKIGOLZBQIF-ZCFIWIBFSA-N	-1	0	257.271	0.293	20	30		CCEDRM
N#CCSCC(=O)N[C@@H](C(=O)[O-])c1ccccn1	ZINC000833068208	600905144	/nfs/dbraw/zinc/90/51/44/600905144.db2.gz	SLCSZJARQFYNKS-SNVBAGLBSA-N	-1	0	265.294	0.580	20	30		CCEDRM
N#CCN(CCOc1ccccc1[N+](=O)[O-])CC(=O)[O-]	ZINC000833066663	601002726	/nfs/dbraw/zinc/00/27/26/601002726.db2.gz	FJSHEYZCGFPNPM-UHFFFAOYSA-N	-1	0	279.252	0.884	20	30		CCEDRM
C#CCNS(=O)(=O)c1ccc(F)c(C(=O)[O-])c1	ZINC000013077166	601207519	/nfs/dbraw/zinc/20/75/19/601207519.db2.gz	DWAREFLHKRZJKM-UHFFFAOYSA-N	-1	0	257.242	0.435	20	30		CCEDRM
N#CCN(CC(=O)[O-])C[C@@H](O)COCc1ccco1	ZINC000833067113	601242397	/nfs/dbraw/zinc/24/23/97/601242397.db2.gz	PMCXPOSLVIAAEX-SNVBAGLBSA-N	-1	0	268.269	0.067	20	30		CCEDRM
C#CCNC(=O)CNc1cc(C(=O)[O-])ccc1F	ZINC000825618352	601246482	/nfs/dbraw/zinc/24/64/82/601246482.db2.gz	ATDYRFUGWGGBAZ-UHFFFAOYSA-N	-1	0	250.229	0.685	20	30		CCEDRM
CN(CCC(=O)[O-])S(=O)(=O)NCc1cccc(C#N)c1	ZINC000088768418	601256784	/nfs/dbraw/zinc/25/67/84/601256784.db2.gz	PCWIPWSPCQOQIC-UHFFFAOYSA-N	-1	0	297.336	0.299	20	30		CCEDRM
C=C(Br)CNC(=O)Cn1cc(C(=O)[O-])nn1	ZINC000168369640	601278562	/nfs/dbraw/zinc/27/85/62/601278562.db2.gz	JMKDXNXJPAWGPD-UHFFFAOYSA-N	-1	0	289.089	0.001	20	30		CCEDRM
Cc1cc(C)n(-c2nncn2N=Cc2ccc(C(=O)[O-])[nH]2)n1	ZINC000832879579	601337131	/nfs/dbraw/zinc/33/71/31/601337131.db2.gz	HPBAAZQTQCYOTR-UHFFFAOYSA-N	-1	0	299.294	0.989	20	30		CCEDRM
CC[C@@H](C)[C@@H](NC(=O)CN(CC)CCC#N)C(=O)[O-]	ZINC000828707241	601376523	/nfs/dbraw/zinc/37/65/23/601376523.db2.gz	DVOUJWCKLASCQY-ZYHUDNBSSA-N	-1	0	269.345	0.837	20	30		CCEDRM
C[C@H](C#N)CNS(=O)(=O)c1ccc(F)c(C(=O)[O-])c1	ZINC000054156584	601476646	/nfs/dbraw/zinc/47/66/46/601476646.db2.gz	GERHKQVDJCAJRY-SSDOTTSWSA-N	-1	0	286.284	0.962	20	30		CCEDRM
N#Cc1cc(C(=O)[O-])cn(CC[C@H]2CCOC2=O)c1=O	ZINC000833069203	601546018	/nfs/dbraw/zinc/54/60/18/601546018.db2.gz	XCMASSRBKLHNTH-QMMMGPOBSA-N	-1	0	276.248	0.371	20	30		CCEDRM
C=C(C)CN(CC)C(=O)CN1CCOC[C@H]1C(=O)[O-]	ZINC000088381167	601557872	/nfs/dbraw/zinc/55/78/72/601557872.db2.gz	YFDNYSDLWMPSLR-NSHDSACASA-N	-1	0	270.329	0.196	20	30		CCEDRM
N#Cc1cc(F)c(C(=O)OCC(=O)NCC(=O)[O-])c(F)c1	ZINC000821329965	601607010	/nfs/dbraw/zinc/60/70/10/601607010.db2.gz	QCYQSDHCQXSBFQ-UHFFFAOYSA-N	-1	0	298.201	0.194	20	30		CCEDRM
C[C@@H](CNC(=O)Nc1nn(C)cc1C#N)C(=O)[O-]	ZINC000827496861	601627837	/nfs/dbraw/zinc/62/78/37/601627837.db2.gz	JCJVFNMSMZFLHK-LURJTMIESA-N	-1	0	251.246	0.134	20	30		CCEDRM
C[C@H](CC#N)N(C)CC(=O)N1CCC(C(=O)[O-])CC1	ZINC000063087222	601632334	/nfs/dbraw/zinc/63/23/34/601632334.db2.gz	LEGXCNRIUIXEFB-SNVBAGLBSA-N	-1	0	267.329	0.544	20	30		CCEDRM
N#CC1(C(=O)N2CC[C@@](F)(C(=O)[O-])C2)CCOCC1	ZINC000833064354	601661333	/nfs/dbraw/zinc/66/13/33/601661333.db2.gz	HUGANJRWQJTRTI-LBPRGKRZSA-N	-1	0	270.260	0.332	20	30		CCEDRM
N#Cc1ccc(CC(=O)N[C@@]2(C(=O)[O-])CCOC2)cc1	ZINC000704663626	601724675	/nfs/dbraw/zinc/72/46/75/601724675.db2.gz	ABNMCBYXPRKCKF-AWEZNQCLSA-N	-1	0	274.276	0.461	20	30		CCEDRM
N#CCCCCNC(=O)N1CCO[C@@H](CC(=O)[O-])C1	ZINC000833062570	601773347	/nfs/dbraw/zinc/77/33/47/601773347.db2.gz	NIBMGJWYWUTSEH-JTQLQIEISA-N	-1	0	269.301	0.565	20	30		CCEDRM
N#Cc1cc(F)ccc1S(=O)(=O)N1CC[C@@H](C(=O)[O-])C1	ZINC000261676285	601777912	/nfs/dbraw/zinc/77/79/12/601777912.db2.gz	LADWDQHHZQGAML-MRVPVSSYSA-N	-1	0	298.295	0.793	20	30		CCEDRM
CS(=O)(=O)[N-]c1ccc(C(=O)O[C@@H](C#N)C2CC2)cn1	ZINC000860577432	617178432	/nfs/dbraw/zinc/17/84/32/617178432.db2.gz	LDYNMVNKVINDMQ-JTQLQIEISA-N	-1	0	295.320	0.912	20	30		CCEDRM
CS(=O)(=O)[N-]c1ccc(C(=O)O[C@H](C#N)C2CC2)cn1	ZINC000860577433	617178331	/nfs/dbraw/zinc/17/83/31/617178331.db2.gz	LDYNMVNKVINDMQ-SNVBAGLBSA-N	-1	0	295.320	0.912	20	30		CCEDRM
C#CC1(F)CN(C(=O)c2ccccc2[N-]S(C)(=O)=O)C1	ZINC000881948130	612949237	/nfs/dbraw/zinc/94/92/37/612949237.db2.gz	LSVDXKTUPLBBRB-UHFFFAOYSA-N	-1	0	296.323	0.855	20	30		CCEDRM
C#CCSCCNC(=O)[C@]1(C)CCN(C(=O)[O-])C1	ZINC000823466878	613017961	/nfs/dbraw/zinc/01/79/61/613017961.db2.gz	KVDKDTUWEZXFQZ-GFCCVEGCSA-N	-1	0	270.354	0.859	20	30		CCEDRM
N#CCn1cc(NC(=O)CN(CC2CC2)C(=O)[O-])cn1	ZINC000831109921	602774139	/nfs/dbraw/zinc/77/41/39/602774139.db2.gz	ZVIFQUKANDHMIB-UHFFFAOYSA-N	-1	0	277.284	0.735	20	30		CCEDRM
N#CCn1cc(NC(=O)C[C@H]2CCCN2C(=O)[O-])cn1	ZINC000831109601	602774286	/nfs/dbraw/zinc/77/42/86/602774286.db2.gz	OIYKUAQFTTYIEK-SNVBAGLBSA-N	-1	0	277.284	0.878	20	30		CCEDRM
N#CCN(CC#N)C(=O)C[C@@H]1CCCN1C(=O)[O-]	ZINC000831097748	602785374	/nfs/dbraw/zinc/78/53/74/602785374.db2.gz	SLXJDVWJWFFSMA-VIFPVBQESA-N	-1	0	250.258	0.395	20	30		CCEDRM
C[C@H](C#N)CNC(=O)c1ccc(CNC(=O)[O-])o1	ZINC000823648833	602901817	/nfs/dbraw/zinc/90/18/17/602901817.db2.gz	XUBOGPOXLQMLKY-SSDOTTSWSA-N	-1	0	251.242	0.937	20	30		CCEDRM
Cn1cc(C#N)cc1C(=O)NCCN(C(=O)[O-])C1CC1	ZINC000830989645	603512610	/nfs/dbraw/zinc/51/26/10/603512610.db2.gz	ROADLWPKLWQUTJ-UHFFFAOYSA-N	-1	0	276.296	0.769	20	30		CCEDRM
N#C[C@@H]1CN(C(=O)[O-])CCN1CC(=O)NCC1CCC1	ZINC000831091408	603726288	/nfs/dbraw/zinc/72/62/88/603726288.db2.gz	DGNHGDKZKMNMIW-LLVKDONJSA-N	-1	0	280.328	0.090	20	30		CCEDRM
C=CCCO[C@@H](C)C(=O)O[C@@H]1CN(C(=O)[O-])CCC1=O	ZINC000823497201	603782913	/nfs/dbraw/zinc/78/29/13/603782913.db2.gz	YOUDZLNHLCBVCV-GXSJLCMTSA-N	-1	0	285.296	0.832	20	30		CCEDRM
N#Cc1c[nH]c(C(=O)O[C@H]2CN(C(=O)[O-])CCC2=O)c1	ZINC000831114396	603800874	/nfs/dbraw/zinc/80/08/74/603800874.db2.gz	MZJZOYXPNADCEE-JTQLQIEISA-N	-1	0	277.236	0.365	20	30		CCEDRM
C[C@@H](C#N)CN(C)C(=O)[C@@]1(C)CCN(C(=O)[O-])C1	ZINC000823646329	603893072	/nfs/dbraw/zinc/89/30/72/603893072.db2.gz	AFKZCRMFKWCYHG-CABZTGNLSA-N	-1	0	253.302	0.994	20	30		CCEDRM
C[C@@H](CC(=O)NCC1CCN(CC#N)CC1)NC(=O)[O-]	ZINC000824638332	603918983	/nfs/dbraw/zinc/91/89/83/603918983.db2.gz	ZXYQTWDSXUUUIU-JTQLQIEISA-N	-1	0	282.344	0.384	20	30		CCEDRM
N#C[C@@H]1CCC[C@H]1NC(=O)CN(C[C@@H]1CCCO1)C(=O)[O-]	ZINC000831076653	603959860	/nfs/dbraw/zinc/95/98/60/603959860.db2.gz	QKWQICPZBLUMJP-SDDRHHMPSA-N	-1	0	295.339	0.954	20	30		CCEDRM
N#CCN(CC#N)C(=O)[C@H]1CC[C@@H](NC(=O)[O-])C1	ZINC000831097542	603964691	/nfs/dbraw/zinc/96/46/91/603964691.db2.gz	KMSNPEDYZVOEFA-DTWKUNHWSA-N	-1	0	250.258	0.298	20	30		CCEDRM
N#Cc1cnccc1NC(=O)[C@H]1CC[C@@H](NC(=O)[O-])C1	ZINC000831161746	603984869	/nfs/dbraw/zinc/98/48/69/603984869.db2.gz	KSIRIKBRVGCKIF-WCBMZHEXSA-N	-1	0	274.280	0.750	20	30		CCEDRM
N#CCN(C(=O)[C@@]1(F)CCN(C(=O)[O-])C1)C1CC1	ZINC000831097035	603988203	/nfs/dbraw/zinc/98/82/03/603988203.db2.gz	CCJJCYCBHJUTNU-LLVKDONJSA-N	-1	0	255.249	0.593	20	30		CCEDRM
N#CCn1cc(NC(=O)[C@@]2(F)CCN(C(=O)[O-])C2)cn1	ZINC000831109740	603991586	/nfs/dbraw/zinc/99/15/86/603991586.db2.gz	SCSZORSYFKUIID-LLVKDONJSA-N	-1	0	281.247	0.437	20	30		CCEDRM
C[C@H]1CCC[C@](C#N)(NC(=O)COC2CN(C(=O)[O-])C2)C1	ZINC000825881092	604011174	/nfs/dbraw/zinc/01/11/74/604011174.db2.gz	SOODSESEUJPLOU-HZMBPMFUSA-N	-1	0	295.339	0.954	20	30		CCEDRM
N#Cc1cc(COC(=O)[C@@H]2CCN(C(=O)[O-])C2)ccn1	ZINC000831114412	604125546	/nfs/dbraw/zinc/12/55/46/604125546.db2.gz	NLAITSTYOIJECX-SNVBAGLBSA-N	-1	0	275.264	0.996	20	30		CCEDRM
Cc1noc(C)c1C(=O)N1CCN(C(=O)[O-])C[C@H]1C#N	ZINC000830903443	604129403	/nfs/dbraw/zinc/12/94/03/604129403.db2.gz	BFQBAONHHHFMOF-SECBINFHSA-N	-1	0	278.268	0.619	20	30		CCEDRM
Cn1cc(C#N)c(NC(=O)N2CCCN(C(=O)[O-])CC2)n1	ZINC000830984893	604154509	/nfs/dbraw/zinc/15/45/09/604154509.db2.gz	JRWANBZZHNPTTK-UHFFFAOYSA-N	-1	0	292.299	0.509	20	30		CCEDRM
C[C@@H](CN(C)C(=O)[O-])C(=O)N1CCN(C2CC2)[C@H](C#N)C1	ZINC000824839800	604167300	/nfs/dbraw/zinc/16/73/00/604167300.db2.gz	GXUWMHDVIVOIMN-CMPLNLGQSA-N	-1	0	294.355	0.431	20	30		CCEDRM
N#C[C@H](C(=O)NC1CC1)C(=O)[C@@H]1CCC[C@@H](NC(=O)[O-])C1	ZINC000831064691	604223001	/nfs/dbraw/zinc/22/30/01/604223001.db2.gz	LIOKMYQRAQREQF-IEBDPFPHSA-N	-1	0	293.323	0.800	20	30		CCEDRM
N#C[C@@H](C(=O)CC1(NC(=O)[O-])CCC1)C(=O)NC1CC1	ZINC000831064520	604253953	/nfs/dbraw/zinc/25/39/53/604253953.db2.gz	HNKGSRFSMSOLJC-VIFPVBQESA-N	-1	0	279.296	0.554	20	30		CCEDRM
C#CCCNS(=O)(=O)c1cc(C(=O)[O-])oc1C	ZINC000070246361	604506992	/nfs/dbraw/zinc/50/69/92/604506992.db2.gz	BDHIYQMRXAUIAZ-UHFFFAOYSA-N	-1	0	257.267	0.588	20	30		CCEDRM
N#C[C@@H]1CN(C(=O)[O-])CCN1C(=O)c1cc[nH]c(=O)c1	ZINC000831086381	604524316	/nfs/dbraw/zinc/52/43/16/604524316.db2.gz	DORLDTLOSHIJAU-SECBINFHSA-N	-1	0	276.252	0.115	20	30		CCEDRM
C[C@@H]1CN([C@H](C(=O)[O-])c2cccc(C#N)c2)C[C@@H]1O	ZINC000833621769	604569335	/nfs/dbraw/zinc/56/93/35/604569335.db2.gz	JTEZLLYINHPMGV-ICCXJUOJSA-N	-1	0	260.293	0.997	20	30		CCEDRM
C#CC[C@@H](NC(=O)CN(C)c1ccccc1)C(=O)[O-]	ZINC000910051956	613039668	/nfs/dbraw/zinc/03/96/68/613039668.db2.gz	JYZXGZCIROPBFG-GFCCVEGCSA-N	-1	0	260.293	0.716	20	30		CCEDRM
C#CCCCNS(=O)(=O)c1ccc(C(=O)[O-])nc1	ZINC000833362229	604695493	/nfs/dbraw/zinc/69/54/93/604695493.db2.gz	GRWGXSIGTSSWRC-UHFFFAOYSA-N	-1	0	268.294	0.472	20	30		CCEDRM
C#CC[C@@H](NC(=O)Cn1nc(C)c(Cl)c1C)C(=O)[O-]	ZINC000910052894	613040531	/nfs/dbraw/zinc/04/05/31/613040531.db2.gz	JSWACJYKDQERTD-SECBINFHSA-N	-1	0	283.715	0.746	20	30		CCEDRM
C#CCCNS(=O)(=O)c1ccsc1C(=O)[O-]	ZINC000069768947	605027631	/nfs/dbraw/zinc/02/76/31/605027631.db2.gz	XATCNFIDCBHMBD-UHFFFAOYSA-N	-1	0	259.308	0.748	20	30		CCEDRM
C#CCSCCNC(=O)c1cncc(C(=O)[O-])c1	ZINC000833368817	605030823	/nfs/dbraw/zinc/03/08/23/605030823.db2.gz	UUDOPDOFIXVAOC-UHFFFAOYSA-N	-1	0	264.306	0.876	20	30		CCEDRM
C[C@@H]1CN(C(=O)NCC(C)(C)C#N)C[C@H]1C(=O)[O-]	ZINC000833622762	605121954	/nfs/dbraw/zinc/12/19/54/605121954.db2.gz	NZTWWZIRDMRJCK-RKDXNWHRSA-N	-1	0	253.302	0.898	20	30		CCEDRM
C#CC[C@@H]([N-]S(=O)(=O)C[C@@]1(C)CC1(F)F)C(=O)OC	ZINC000882251127	613043144	/nfs/dbraw/zinc/04/31/44/613043144.db2.gz	GGHKYHNMQCCZJN-PSASIEDQSA-N	-1	0	295.307	0.516	20	30		CCEDRM
C#CCNC(=S)Nc1cccc(-c2nn[nH]n2)c1	ZINC000823850299	612953948	/nfs/dbraw/zinc/95/39/48/612953948.db2.gz	NHIBCKOPCUVHFV-UHFFFAOYSA-N	-1	0	258.310	0.786	20	30		CCEDRM
C#CC[C@@H]1CCCN(C(=O)N=c2nn[n-]n2CC)C1	ZINC000888322424	613044346	/nfs/dbraw/zinc/04/43/46/613044346.db2.gz	DTIHUBRQIXJXPE-SNVBAGLBSA-N	-1	0	262.317	0.382	20	30		CCEDRM
C#CCNC(=S)Nc1cc(-c2nn[nH]n2)ccc1OC	ZINC000823850292	612953967	/nfs/dbraw/zinc/95/39/67/612953967.db2.gz	MYMWDQHXJSKCRM-UHFFFAOYSA-N	-1	0	288.336	0.795	20	30		CCEDRM
C[C@@H](CC#N)N(C)C(=O)CO[C@H]1CCCN(C(=O)[O-])C1	ZINC000824545028	605388326	/nfs/dbraw/zinc/38/83/26/605388326.db2.gz	UKTXCHFZMXUKGK-QWRGUYRKSA-N	-1	0	283.328	0.906	20	30		CCEDRM
N#CCCCNC(=O)N[C@H]1CCCN(C(=O)[O-])C1	ZINC000833965964	605404925	/nfs/dbraw/zinc/40/49/25/605404925.db2.gz	WMDRNNIMDYIBIL-VIFPVBQESA-N	-1	0	254.290	0.732	20	30		CCEDRM
N#CCCCNC(=O)NC[C@@H]1CCCN(C(=O)[O-])C1	ZINC000833967647	605422650	/nfs/dbraw/zinc/42/26/50/605422650.db2.gz	GQSKAUQAUKOWJA-JTQLQIEISA-N	-1	0	268.317	0.979	20	30		CCEDRM
N#CC1(NC(=O)CC[C@@H]2CCN(C(=O)[O-])C2)CC1	ZINC000833963127	605472539	/nfs/dbraw/zinc/47/25/39/605472539.db2.gz	HEDYMKLMMSWOEF-SECBINFHSA-N	-1	0	251.286	0.939	20	30		CCEDRM
COC[C@@H](C#N)OC(=O)C1CCN(C(=O)[O-])CC1	ZINC000833883214	605617893	/nfs/dbraw/zinc/61/78/93/605617893.db2.gz	WJWQHDABZMXYOC-SECBINFHSA-N	-1	0	256.258	0.458	20	30		CCEDRM
C#CCCNC(=O)N1C[C@@H](C)N(C(=O)[O-])C[C@H]1C	ZINC000833787481	613047225	/nfs/dbraw/zinc/04/72/25/613047225.db2.gz	QNHSBFJLZWJNCZ-NXEZZACHSA-N	-1	0	253.302	0.792	20	30		CCEDRM
Cc1onc(CC(=O)NCCCN(C)C(=O)[O-])c1C#N	ZINC000833936713	605680272	/nfs/dbraw/zinc/68/02/72/605680272.db2.gz	PKGJMUZTJVDYQR-UHFFFAOYSA-N	-1	0	280.284	0.513	20	30		CCEDRM
Cn1cc(CCCN[C@@H]2CN(C(=O)[O-])C[C@@H]2C#N)cn1	ZINC000833946605	605684668	/nfs/dbraw/zinc/68/46/68/605684668.db2.gz	IVYKMZCTBNNESQ-NWDGAFQWSA-N	-1	0	277.328	0.444	20	30		CCEDRM
Cc1onc(CC(=O)N[C@H]2CCN(C(=O)[O-])C2)c1C#N	ZINC000833935732	605693428	/nfs/dbraw/zinc/69/34/28/605693428.db2.gz	IMVOPCRHTBUAEL-QMMMGPOBSA-N	-1	0	278.268	0.266	20	30		CCEDRM
Cc1onc(CC(=O)N(C)[C@@H]2CCN(C(=O)[O-])C2)c1C#N	ZINC000833936729	605697942	/nfs/dbraw/zinc/69/79/42/605697942.db2.gz	PZYUJUSTTUVHOX-SECBINFHSA-N	-1	0	292.295	0.608	20	30		CCEDRM
C[C@@H](CNC(=O)[O-])CNC(=O)c1ccc(C#N)nc1	ZINC000833806552	605810960	/nfs/dbraw/zinc/81/09/60/605810960.db2.gz	MKRHHGQPGBMQTB-MRVPVSSYSA-N	-1	0	262.269	0.587	20	30		CCEDRM
N#Cc1ccc([C@H](O)C(=O)N2CCN(C(=O)[O-])CC2)cc1	ZINC000833972368	605824449	/nfs/dbraw/zinc/82/44/49/605824449.db2.gz	BUWUDIVVUQOOCK-LBPRGKRZSA-N	-1	0	289.291	0.414	20	30		CCEDRM
N#C[C@H]1CN(C(=O)[O-])CCN1C(=O)Cc1cccc(O)c1	ZINC000833968354	605840115	/nfs/dbraw/zinc/84/01/15/605840115.db2.gz	VKGUQMAQQSJRJA-NSHDSACASA-N	-1	0	289.291	0.649	20	30		CCEDRM
C[C@]1(C(=O)OCC(=O)NCCC#N)CCCN(C(=O)[O-])C1	ZINC000833821475	605858618	/nfs/dbraw/zinc/85/86/18/605858618.db2.gz	GGQXPDFMTDKZNH-ZDUSSCGKSA-N	-1	0	297.311	0.340	20	30		CCEDRM
C[C@@H](CNC(=O)[O-])CNC(=O)c1ccc(C#N)[nH]1	ZINC000833805716	605916439	/nfs/dbraw/zinc/91/64/39/605916439.db2.gz	HFQILPVXPSQVSC-SSDOTTSWSA-N	-1	0	250.258	0.520	20	30		CCEDRM
N#C[C@H]1CCC[C@@H]1NC(=O)CN(C(=O)[O-])C1CC1	ZINC000833964056	605985214	/nfs/dbraw/zinc/98/52/14/605985214.db2.gz	YQXUEQFHGJYZSR-SCZZXKLOSA-N	-1	0	251.286	0.937	20	30		CCEDRM
N#C[C@@H]1CN(C(=O)[O-])CCN1C(=O)c1cccc2nccn21	ZINC000833969027	606098520	/nfs/dbraw/zinc/09/85/20/606098520.db2.gz	ZLSBESIYQYJLSC-SNVBAGLBSA-N	-1	0	299.290	0.662	20	30		CCEDRM
C[C@@H](C(=O)Nc1nc(C#N)c(-c2nn[nH]n2)[n-]1)C1CC1	ZINC000819875952	606184925	/nfs/dbraw/zinc/18/49/25/606184925.db2.gz	COCBXGWMMIENGQ-RXMQYKEDSA-N	-1	0	272.272	0.446	20	30		CCEDRM
C#CCCS(=O)(=O)[N-]C(=O)CC1CCSCC1	ZINC000810784243	613052771	/nfs/dbraw/zinc/05/27/71/613052771.db2.gz	XSAZQYZJNPUYCR-UHFFFAOYSA-N	-1	0	275.395	0.989	20	30		CCEDRM
C#CCCS(=O)(=O)[N-]C(=O)C1(OCC)CCCC1	ZINC000810784739	613052835	/nfs/dbraw/zinc/05/28/35/613052835.db2.gz	NMWDABBZSOYBDD-UHFFFAOYSA-N	-1	0	273.354	0.805	20	30		CCEDRM
C#CC[C@H](CCOC)NS(=O)(=O)N=[S@@](C)(=O)CC	ZINC000867568228	613052884	/nfs/dbraw/zinc/05/28/84/613052884.db2.gz	GAZDETZSGLWNTD-QGHHPUGFSA-N	-1	0	296.414	0.367	20	30		CCEDRM
C#CCCS(=O)(=O)[N-]C(=O)Cc1nc(C)sc1C	ZINC000810779794	613052941	/nfs/dbraw/zinc/05/29/41/613052941.db2.gz	AYUSZJKEXMXZJZ-UHFFFAOYSA-N	-1	0	286.378	0.772	20	30		CCEDRM
C#CCCS(=O)(=O)[N-]C(=O)c1cc(C)c(C#N)cn1	ZINC000838870824	613053539	/nfs/dbraw/zinc/05/35/39/613053539.db2.gz	FJEIMJUVFRPDBH-UHFFFAOYSA-N	-1	0	277.305	0.345	20	30		CCEDRM
C#CCCS(=O)(=O)[N-]C(=O)c1cc(C)cc([N+](=O)[O-])c1	ZINC000810783619	613053639	/nfs/dbraw/zinc/05/36/39/613053639.db2.gz	XLHQVRPJWQCNQJ-UHFFFAOYSA-N	-1	0	296.304	0.986	20	30		CCEDRM
C#CCCS(=O)(=O)N[C@@H]1Cc2ccccc2NC1=O	ZINC000859340919	613055127	/nfs/dbraw/zinc/05/51/27/613055127.db2.gz	VUUABNSLGMKDOE-GFCCVEGCSA-N	-1	0	278.333	0.493	20	30		CCEDRM
C#CCC[C@H](O)CNC(=O)c1ccc([O-])c([N+](=O)[O-])c1	ZINC000799073320	613063520	/nfs/dbraw/zinc/06/35/20/613063520.db2.gz	GIJJCXWJPSCYEH-JTQLQIEISA-N	-1	0	278.264	0.805	20	30		CCEDRM
C#CC[C@H](NC(=O)Cn1ccc(C(F)F)n1)C(=O)[O-]	ZINC000910048789	613068302	/nfs/dbraw/zinc/06/83/02/613068302.db2.gz	OSAXQMFSAYDZGK-QMMMGPOBSA-N	-1	0	271.223	0.413	20	30		CCEDRM
C#CC[C@H](NC(=O)[C@@H]1CCCC[C@H]1OC)C(=O)[O-]	ZINC000910050686	613068836	/nfs/dbraw/zinc/06/88/36/613068836.db2.gz	NPDVXJVDIIXZHJ-OUAUKWLOSA-N	-1	0	253.298	0.784	20	30		CCEDRM
C#CCN(CC#CC)Cc1noc(CCCC(=O)[O-])n1	ZINC000825614671	613100534	/nfs/dbraw/zinc/10/05/34/613100534.db2.gz	UJISLFLXVSAWNM-UHFFFAOYSA-N	-1	0	275.308	0.935	20	30		CCEDRM
C#CCN(CC)C(=O)C(=O)Nc1cc(C(=O)[O-])cs1	ZINC000825614283	613105109	/nfs/dbraw/zinc/10/51/09/613105109.db2.gz	KQWZCRMSARTVBA-UHFFFAOYSA-N	-1	0	280.305	0.867	20	30		CCEDRM
C#CCN(CC)C(=O)c1cc(S(N)(=O)=O)ccc1[O-]	ZINC000823415282	613106429	/nfs/dbraw/zinc/10/64/29/613106429.db2.gz	VMGBZEDXXRDONI-UHFFFAOYSA-N	-1	0	282.321	0.135	20	30		CCEDRM
C#CCN(CC)CC(=O)NC1(C(=O)[O-])CCCCC1	ZINC000825614075	613106435	/nfs/dbraw/zinc/10/64/35/613106435.db2.gz	CXLKBLMUGYXYRK-UHFFFAOYSA-N	-1	0	266.341	0.845	20	30		CCEDRM
C#CCC(C)(C)C(=O)[N-]S(=O)(=O)[C@@H]1CCCOC1	ZINC000810662154	612965951	/nfs/dbraw/zinc/96/59/51/612965951.db2.gz	BPTYSYUQVMKQLN-SNVBAGLBSA-N	-1	0	273.354	0.661	20	30		CCEDRM
C#CCC(C)(C)C(=O)[N-]S(=O)(=O)[C@@H]1CCOC1	ZINC000810584308	612966096	/nfs/dbraw/zinc/96/60/96/612966096.db2.gz	CLUTWSZKLDXDQI-SECBINFHSA-N	-1	0	259.327	0.271	20	30		CCEDRM
C=CCS(=O)(=O)[N-]C(=O)[C@H](OCC)[C@H]1CCOC1	ZINC000870256562	613886224	/nfs/dbraw/zinc/88/62/24/613886224.db2.gz	IVMFYFNNJJMVCC-VHSXEESVSA-N	-1	0	277.342	0.060	20	30		CCEDRM
CC(C)[C@@H](N[C@@H](C(=O)[O-])c1cccc(C#N)c1)C(N)=O	ZINC000826715812	614129390	/nfs/dbraw/zinc/12/93/90/614129390.db2.gz	GOZVEECMNDQQNH-VXGBXAGGSA-N	-1	0	275.308	0.783	20	30		CCEDRM
C#CCOCCC(=O)[N-]S(=O)(=O)Cc1ccccc1C	ZINC000798898240	612980073	/nfs/dbraw/zinc/98/00/73/612980073.db2.gz	FPEYUMQTKRVEOF-UHFFFAOYSA-N	-1	0	295.360	0.981	20	30		CCEDRM
CSCc1cnc(C=Nn2c(=O)[n-][nH]c2=O)s1	ZINC000814940471	617258243	/nfs/dbraw/zinc/25/82/43/617258243.db2.gz	YXUWIUGMIPWGJA-UHFFFAOYSA-N	-1	0	271.327	0.891	20	30		CCEDRM
COc1ccc(OC)c(C(=O)N[C@H]2CCCN(O)C2=O)c1	ZINC000816756784	617274930	/nfs/dbraw/zinc/27/49/30/617274930.db2.gz	FDPQIPVHZHJRRV-NSHDSACASA-N	-1	0	294.307	0.814	20	30		CCEDRM
C[C@@H](C#N)[N-]S(=O)(=O)N=[S@](C)(=O)C(C)(C)C	ZINC000906060213	617296744	/nfs/dbraw/zinc/29/67/44/617296744.db2.gz	FWVWUJRPXZTEIT-NZFNHWASSA-N	-1	0	267.376	0.629	20	30		CCEDRM
C#CC1CCN(C(=O)CSc2n[nH]c(=O)[n-]2)CC1	ZINC000844046926	612962921	/nfs/dbraw/zinc/96/29/21/612962921.db2.gz	JVPHNESLWXUPPE-UHFFFAOYSA-N	-1	0	266.326	0.474	20	30		CCEDRM
C#CCC(C)(C)C(=O)[N-]S(=O)(=O)[C@@H](C)COC	ZINC000810585128	612966004	/nfs/dbraw/zinc/96/60/04/612966004.db2.gz	LSMIIPODGDHMIF-VIFPVBQESA-N	-1	0	261.343	0.517	20	30		CCEDRM
C#CCCCCC(=O)N[C@@H](CC(=O)[O-])C(=O)OC	ZINC000833363049	612975793	/nfs/dbraw/zinc/97/57/93/612975793.db2.gz	XYAZQYVHJIWNAT-VIFPVBQESA-N	-1	0	255.270	0.313	20	30		CCEDRM
C#CCCCCNC(=O)N1CC[N@@H+](CCC(=O)[O-])C[C@H]1C	ZINC000833361649	612977365	/nfs/dbraw/zinc/97/73/65/612977365.db2.gz	FXELJUSZBGYGOF-CYBMUJFWSA-N	-1	0	295.383	0.980	20	30		CCEDRM
C#CCOCCNC(=O)c1cc(C(=O)[O-])cc([N+](=O)[O-])c1	ZINC000833366073	612988814	/nfs/dbraw/zinc/98/88/14/612988814.db2.gz	FAECLTCZCOHGJG-UHFFFAOYSA-N	-1	0	292.247	0.673	20	30		CCEDRM
C#CCO[N-]C(=O)CS(=O)(=O)Cc1ccc(C#N)cc1	ZINC000812782816	612992192	/nfs/dbraw/zinc/99/21/92/612992192.db2.gz	KJALEKYMEBTVDG-UHFFFAOYSA-N	-1	0	292.316	0.154	20	30		CCEDRM
C#CCO[N-]C(=O)[C@H]1CCN(c2ccc(F)cc2)C1=O	ZINC000812786716	612993066	/nfs/dbraw/zinc/99/30/66/612993066.db2.gz	QAYDRAKVVDJCDS-GFCCVEGCSA-N	-1	0	276.267	0.860	20	30		CCEDRM
C#CCO[C@@H](C)C(=O)N1CC2(CCC2)[C@@](F)(C(=O)[O-])C1	ZINC000909937321	612994433	/nfs/dbraw/zinc/99/44/33/612994433.db2.gz	ZIWZJOAZKMQIJC-HZMBPMFUSA-N	-1	0	283.299	0.830	20	30		CCEDRM
C#CCO[C@@H](C)C(=O)N[C@H](CC1(OC)CCC1)C(=O)[O-]	ZINC000909892055	612997330	/nfs/dbraw/zinc/99/73/30/612997330.db2.gz	FTFYBVORNKWGHH-WDEREUQCSA-N	-1	0	283.324	0.553	20	30		CCEDRM
C#CCO[C@@H](C)C(=O)N[C@H]1CCCn2nc(C(=O)[O-])cc21	ZINC000908119034	612997623	/nfs/dbraw/zinc/99/76/23/612997623.db2.gz	YCNIHXAMWXZIEZ-UWVGGRQHSA-N	-1	0	291.307	0.571	20	30		CCEDRM
C#CCO[C@H](C)C(=O)N[C@@]1(C(=O)[O-])C[C@H](OCC)C1(C)C	ZINC000909599951	613002953	/nfs/dbraw/zinc/00/29/53/613002953.db2.gz	FETKCJJGYCHVCE-JRPNMDOOSA-N	-1	0	297.351	0.799	20	30		CCEDRM
C#CC[C@@H](NC(=O)CN1CCCCCCC1=O)C(=O)[O-]	ZINC000910052621	613039745	/nfs/dbraw/zinc/03/97/45/613039745.db2.gz	CVECOCCTNMXSCK-LLVKDONJSA-N	-1	0	280.324	0.372	20	30		CCEDRM
C#CC[C@@H](NC(=O)Cn1cc(C2CC2)cn1)C(=O)[O-]	ZINC000910046388	613040327	/nfs/dbraw/zinc/04/03/27/613040327.db2.gz	NUQZWPISRHCUKB-LLVKDONJSA-N	-1	0	261.281	0.353	20	30		CCEDRM
C#CC[C@@H](NC(=O)Nc1ccnn1C1CC1)C(=O)[O-]	ZINC000900354020	613040536	/nfs/dbraw/zinc/04/05/36/613040536.db2.gz	XMZLATAEKLYGKL-SECBINFHSA-N	-1	0	262.269	0.816	20	30		CCEDRM
C#CC[C@@H](NC(=O)[C@@H]1Cc2cccc(C)c2O1)C(=O)[O-]	ZINC000910050147	613040927	/nfs/dbraw/zinc/04/09/27/613040927.db2.gz	GHRCQWBLMDPKJT-NEPJUHHUSA-N	-1	0	273.288	0.891	20	30		CCEDRM
C#CC[C@@H](NC(=O)[C@H](OC)c1cccc(OC)c1)C(=O)[O-]	ZINC000910045373	613041328	/nfs/dbraw/zinc/04/13/28/613041328.db2.gz	BWIPHBJTTIPWAO-CHWSQXEVSA-N	-1	0	291.303	0.975	20	30		CCEDRM
C#CC[C@@H](NC(=O)c1cc(C(C)(C)C)nn1C)C(=O)[O-]	ZINC000910053587	613041550	/nfs/dbraw/zinc/04/15/50/613041550.db2.gz	VRHZKNHTVXDBEB-SECBINFHSA-N	-1	0	277.324	0.924	20	30		CCEDRM
C#CCCS(=O)(=O)[N-]C(=O)COC(C)(C)CC	ZINC000838871931	613052732	/nfs/dbraw/zinc/05/27/32/613052732.db2.gz	SUWQITJPMMPERV-UHFFFAOYSA-N	-1	0	261.343	0.661	20	30		CCEDRM
C#CCCS(=O)(=O)[N-]C(=O)[C@@H](OC)C1CCCC1	ZINC000850999758	613053138	/nfs/dbraw/zinc/05/31/38/613053138.db2.gz	KDAZRGWGSXAKDD-NSHDSACASA-N	-1	0	273.354	0.661	20	30		CCEDRM
C#CCCS(=O)(=O)[N-]C(=O)c1cnn2ccc(C)nc12	ZINC000791111234	613053759	/nfs/dbraw/zinc/05/37/59/613053759.db2.gz	RCQOHGUPAXBTBH-UHFFFAOYSA-N	-1	0	292.320	0.121	20	30		CCEDRM
C#CCC[C@@H](O)CNS(=O)(=O)c1ccccc1[O-]	ZINC000849391060	613059744	/nfs/dbraw/zinc/05/97/44/613059744.db2.gz	GPMCGAMHWUUSQH-SNVBAGLBSA-N	-1	0	269.322	0.445	20	30		CCEDRM
C#CCC[C@H](O)CNC(=O)c1ccc([N+](=O)[O-])cc1[O-]	ZINC000799069699	613063586	/nfs/dbraw/zinc/06/35/86/613063586.db2.gz	ANLUTZVKSQJVRY-JTQLQIEISA-N	-1	0	278.264	0.805	20	30		CCEDRM
C#CC[C@H](NC(=O)C[C@@H](C)n1ccnc1CC)C(=O)[O-]	ZINC000910051728	613068008	/nfs/dbraw/zinc/06/80/08/613068008.db2.gz	ZOHHEPZSNVFFRL-MNOVXSKESA-N	-1	0	277.324	0.989	20	30		CCEDRM
C#CC[C@H](NC(=O)Cc1c(CC)noc1CC)C(=O)[O-]	ZINC000910053992	613068101	/nfs/dbraw/zinc/06/81/01/613068101.db2.gz	GWYBXXNRLPSEBU-NSHDSACASA-N	-1	0	278.308	0.935	20	30		CCEDRM
C#CC[C@H](NC(=O)Cn1cc(C(=O)[O-])nn1)c1ccccc1	ZINC000833361151	613068285	/nfs/dbraw/zinc/06/82/85/613068285.db2.gz	XNXHMSZJFPXGOY-LBPRGKRZSA-N	-1	0	298.302	0.857	20	30		CCEDRM
C#CC[C@H](NC(=O)[C@@H](NCC(F)(F)F)C(C)C)C(=O)[O-]	ZINC000910050345	613068540	/nfs/dbraw/zinc/06/85/40/613068540.db2.gz	IHUCHBIZKFLWQO-IUCAKERBSA-N	-1	0	294.273	0.756	20	30		CCEDRM
C#CC[C@H](NC(=O)[C@@H]1C[C@H]1c1cnn(C)c1)C(=O)[O-]	ZINC000910052634	613069056	/nfs/dbraw/zinc/06/90/56/613069056.db2.gz	DGYVGAJDEIYMJI-AXFHLTTASA-N	-1	0	261.281	0.116	20	30		CCEDRM
C#CC[C@H](NC(=O)[C@@](C)(O)Cc1ccccc1)C(=O)[O-]	ZINC000910051541	613069156	/nfs/dbraw/zinc/06/91/56/613069156.db2.gz	XRYRLZCKZMNCLW-WFASDCNBSA-N	-1	0	275.304	0.573	20	30		CCEDRM
C#CC[C@H](NC(=O)[C@H]1C[C@@]1(C)Br)C(=O)[O-]	ZINC000910050207	613069729	/nfs/dbraw/zinc/06/97/29/613069729.db2.gz	HAFIBMZEGWOAGW-MATHAZKKSA-N	-1	0	274.114	0.753	20	30		CCEDRM
C#CC[C@H](NC(=O)c1c(C)nn(CC)c1C)C(=O)[O-]	ZINC000910055014	613069909	/nfs/dbraw/zinc/06/99/09/613069909.db2.gz	WGDNQKSRNLJXCE-JTQLQIEISA-N	-1	0	263.297	0.726	20	30		CCEDRM
C#CC[C@H](NC(=O)c1ccnn1CC(F)F)C(=O)[O-]	ZINC000910048741	613070353	/nfs/dbraw/zinc/07/03/53/613070353.db2.gz	NOTMZJJNZNSGFH-ZETCQYMHSA-N	-1	0	271.223	0.355	20	30		CCEDRM
C#CC[C@H](NC(=O)c1cn(C2CCC2)nn1)C(=O)[O-]	ZINC000910046929	613070394	/nfs/dbraw/zinc/07/03/94/613070394.db2.gz	UIQUXMGYMKLQLI-VIFPVBQESA-N	-1	0	262.269	0.209	20	30		CCEDRM
C#CC[C@H](NC(=O)c1cccnc1OCC)C(=O)[O-]	ZINC000910051947	613070436	/nfs/dbraw/zinc/07/04/36/613070436.db2.gz	JIEMTLKSBITXDM-JTQLQIEISA-N	-1	0	262.265	0.687	20	30		CCEDRM
C#CC[C@H](OC(=O)[C@H]1CN(C(=O)[O-])CCO1)C(C)C	ZINC000823440900	613071527	/nfs/dbraw/zinc/07/15/27/613071527.db2.gz	MEBZGMCOZOTBBQ-WDEREUQCSA-N	-1	0	269.297	0.956	20	30		CCEDRM
C#CC[C@H]1CCCN(S(=O)(=O)CCCC(=O)[O-])C1	ZINC000849332520	613072630	/nfs/dbraw/zinc/07/26/30/613072630.db2.gz	PGFFUBUHJKBRDB-NSHDSACASA-N	-1	0	273.354	0.916	20	30		CCEDRM
C#CCN(C)S(=O)(=O)c1ccc(OC)c(CC(=O)[O-])c1	ZINC000871948994	613079513	/nfs/dbraw/zinc/07/95/13/613079513.db2.gz	KNAYIROQRMESAP-UHFFFAOYSA-N	-1	0	297.332	0.576	20	30		CCEDRM
C#C[C@@H](NC(=O)Cn1cc(C(=O)[O-])cn1)C1CCOCC1	ZINC000911791509	613092917	/nfs/dbraw/zinc/09/29/17/613092917.db2.gz	OAKVAEBDUWRGKZ-GFCCVEGCSA-N	-1	0	291.307	0.126	20	30		CCEDRM
C#C[C@@H](NC(=O)c1cc(C(=O)[O-])ccn1)[C@@H]1CCCO1	ZINC000911577471	613098706	/nfs/dbraw/zinc/09/87/06/613098706.db2.gz	CJUJZLASIUVGFH-PWSUYJOCSA-N	-1	0	274.276	0.690	20	30		CCEDRM
C#CCN(CC#C)C(=O)[C@]1(F)CCN(C(=O)[O-])C1	ZINC000823451392	613098867	/nfs/dbraw/zinc/09/88/67/613098867.db2.gz	TWBNXOZWECWLGG-LBPRGKRZSA-N	-1	0	252.245	0.173	20	30		CCEDRM
C#CCN(CC#CC)C(=O)[C@@H](C)O[C@@H](C)C(=O)[O-]	ZINC000872935835	613100030	/nfs/dbraw/zinc/10/00/30/613100030.db2.gz	UDJUABLVBOVYNK-MNOVXSKESA-N	-1	0	251.282	0.350	20	30		CCEDRM
C#CCN(CC#CC)S(=O)(=O)C1(C(=O)[O-])CCC1	ZINC000905039033	613100576	/nfs/dbraw/zinc/10/05/76/613100576.db2.gz	DXEJVAXHCRSSKP-UHFFFAOYSA-N	-1	0	269.322	0.282	20	30		CCEDRM
C#CCN(CC(=O)[O-])S(=O)(=O)C[C@H]1CCCC1(F)F	ZINC000849219077	613103605	/nfs/dbraw/zinc/10/36/05/613103605.db2.gz	NFDOBTUDWAKFTJ-SECBINFHSA-N	-1	0	295.307	0.771	20	30		CCEDRM
C#CCN(CC(=O)[O-])S(=O)(=O)CCCCF	ZINC000849219388	613103621	/nfs/dbraw/zinc/10/36/21/613103621.db2.gz	SNVGMFSMDOEDTD-UHFFFAOYSA-N	-1	0	251.279	0.086	20	30		CCEDRM
C#CCN(CC)C(=O)c1cc(=O)n(-c2nc(C)cc(C)n2)[n-]1	ZINC000900353217	613106210	/nfs/dbraw/zinc/10/62/10/613106210.db2.gz	LHVNBCGUHCGYSS-UHFFFAOYSA-N	-1	0	299.334	0.668	20	30		CCEDRM
C#C[C@H](C)NS(=O)(=O)c1cccc(CC(=O)[O-])c1	ZINC000871951038	613118844	/nfs/dbraw/zinc/11/88/44/613118844.db2.gz	ILSYNFWBALRNFS-VIFPVBQESA-N	-1	0	267.306	0.614	20	30		CCEDRM
C#C[C@H](C)NS(=O)(=O)c1cnn(C)c1C(F)(F)F	ZINC000867198266	613119042	/nfs/dbraw/zinc/11/90/42/613119042.db2.gz	HQMNQSQYOIIRRN-LURJTMIESA-N	-1	0	281.259	0.739	20	30		CCEDRM
C#C[C@H](C)OC(=O)c1cn(C2CCN(C(=O)[O-])CC2)nn1	ZINC000823440575	613119275	/nfs/dbraw/zinc/11/92/75/613119275.db2.gz	AAZJOAMHPSDHGL-VIFPVBQESA-N	-1	0	292.295	0.772	20	30		CCEDRM
C#C[C@H](CCC)NC(=O)c1cc(S(N)(=O)=O)ccc1[O-]	ZINC000834363568	613124032	/nfs/dbraw/zinc/12/40/32/613124032.db2.gz	GXIIIPVKRMFEMM-SECBINFHSA-N	-1	0	296.348	0.571	20	30		CCEDRM
C#C[C@H](NC(=O)[C@H]1C[C@@H](C)[C@H](C(=O)[O-])O1)[C@@H]1CCCO1	ZINC000911579580	613148075	/nfs/dbraw/zinc/14/80/75/613148075.db2.gz	OLMACSXDZQGVMF-YBXAARCKSA-N	-1	0	281.308	0.162	20	30		CCEDRM
C#Cc1ccc(C(=O)NC[C@H]2CCO[C@H]2C(=O)[O-])cc1	ZINC000910345381	613181364	/nfs/dbraw/zinc/18/13/64/613181364.db2.gz	DITFDQWJQMYHRK-CHWSQXEVSA-N	-1	0	273.288	0.887	20	30		CCEDRM
C#Cc1ccc(C(=O)N[C@@H](CCOC)C(=O)[O-])cc1	ZINC000909626431	613183360	/nfs/dbraw/zinc/18/33/60/613183360.db2.gz	OMANRVAJYBOHBT-LBPRGKRZSA-N	-1	0	261.277	0.887	20	30		CCEDRM
C#Cc1cccc(NC(=O)CNC(=O)[C@@H](C)CC(=O)[O-])c1	ZINC000825636236	613204265	/nfs/dbraw/zinc/20/42/65/613204265.db2.gz	FMDUISWAWXVDQO-JTQLQIEISA-N	-1	0	288.303	0.833	20	30		CCEDRM
C#CCN1CCN(C(=O)C2(CNC(=O)[O-])CCCC2)CC1	ZINC000823450689	613204436	/nfs/dbraw/zinc/20/44/36/613204436.db2.gz	GJRXIMKGABYAKP-UHFFFAOYSA-N	-1	0	293.367	0.592	20	30		CCEDRM
C#Cc1cncc(C(=O)N2CC[C@](F)(C(=O)[O-])C2)c1	ZINC000909305622	613215061	/nfs/dbraw/zinc/21/50/61/613215061.db2.gz	URWSZDOHGZEATR-CYBMUJFWSA-N	-1	0	262.240	0.702	20	30		CCEDRM
COc1ccnc([N-]N=C2C(=O)Nc3cc(O)ccc32)n1	ZINC000915962112	617326262	/nfs/dbraw/zinc/32/62/62/617326262.db2.gz	NGCTVUVRCKZNCJ-UHFFFAOYSA-N	-1	0	285.263	0.959	20	30		CCEDRM
C#CCNC(=O)COC(=O)C1(CNC(=O)[O-])CCCC1	ZINC000823455599	613331375	/nfs/dbraw/zinc/33/13/75/613331375.db2.gz	FHVPMBLHRKNFOI-UHFFFAOYSA-N	-1	0	282.296	0.107	20	30		CCEDRM
C=C(C)CO[N-]C(=O)C(=O)Nc1cncc(OC)n1	ZINC000846145864	613352351	/nfs/dbraw/zinc/35/23/51/613352351.db2.gz	CZNVMMREGPMSJA-UHFFFAOYSA-N	-1	0	266.257	0.048	20	30		CCEDRM
C=C(C)CO[N-]C(=O)C(=O)Nc1cc(OC)cnc1F	ZINC000861898007	613352420	/nfs/dbraw/zinc/35/24/20/613352420.db2.gz	AKMUJWYGTNGCGZ-UHFFFAOYSA-N	-1	0	283.259	0.792	20	30		CCEDRM
C=C(C)CO[N-]C(=O)CN1CCCCS1(=O)=O	ZINC000880548467	613352553	/nfs/dbraw/zinc/35/25/53/613352553.db2.gz	UTWLKHBQAYWJRX-UHFFFAOYSA-N	-1	0	262.331	0.036	20	30		CCEDRM
C=C(C)CO[N-]C(=O)[C@@H](O)[C@@H](O)c1nc2ccccc2[nH]1	ZINC000846534773	613353858	/nfs/dbraw/zinc/35/38/58/613353858.db2.gz	AZNLDJNRGOAORW-NEPJUHHUSA-N	-1	0	291.307	0.581	20	30		CCEDRM
C=C(C)CS(=O)(=O)N1CCC[C@@H]2C[C@@]21C(=O)[O-]	ZINC000926604503	613354035	/nfs/dbraw/zinc/35/40/35/613354035.db2.gz	GKCFBSDNKMWBMV-KOLCDFICSA-N	-1	0	259.327	0.831	20	30		CCEDRM
C=C(C)CS(=O)(=O)N1CC[C@](F)(C(=O)[O-])C1	ZINC000829905689	613354176	/nfs/dbraw/zinc/35/41/76/613354176.db2.gz	ZQYQHRADFLJDIR-SECBINFHSA-N	-1	0	251.279	0.391	20	30		CCEDRM
C=C(C)C[C@@H](NC(=O)[C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@H]12)C(=O)[O-]	ZINC000907744362	613356038	/nfs/dbraw/zinc/35/60/38/613356038.db2.gz	RWXGKNQDPJGMCX-MCNAKINOSA-N	-1	0	265.309	0.945	20	30		CCEDRM
C=C(C)C[C@H](NC(=O)[C@H](C)n1cncn1)C(=O)[O-]	ZINC000864188551	613359061	/nfs/dbraw/zinc/35/90/61/613359061.db2.gz	TYWKJBFCCAKTBF-IUCAKERBSA-N	-1	0	252.274	0.375	20	30		CCEDRM
C=C(COC(=O)[C@]1(F)CCN(C(=O)[O-])C1)C(=O)OCC	ZINC000823480477	613367547	/nfs/dbraw/zinc/36/75/47/613367547.db2.gz	DJZCMJVLCMFIGR-LBPRGKRZSA-N	-1	0	289.259	0.741	20	30		CCEDRM
C=C(Cl)CNC(=O)N1CC[N@@H+](CCC(=O)[O-])C[C@@H]1C	ZINC000833370160	613383656	/nfs/dbraw/zinc/38/36/56/613383656.db2.gz	LLEPXPZVTVJVDJ-JTQLQIEISA-N	-1	0	289.763	0.929	20	30		CCEDRM
C=C(Cl)C[C@@H](N)C(=O)[N-]S(=O)(=O)C1CCCC1	ZINC000901033495	613388052	/nfs/dbraw/zinc/38/80/52/613388052.db2.gz	FSVAQNLQNDCEHK-SECBINFHSA-N	-1	0	280.777	0.845	20	30		CCEDRM
C=C(Cl)C[C@@H](NC(=O)N[C@H]1CCOC1)C(=O)[O-]	ZINC000864525547	613388587	/nfs/dbraw/zinc/38/85/87/613388587.db2.gz	DPWKCYXJCALAPU-JGVFFNPUSA-N	-1	0	262.693	0.670	20	30		CCEDRM
C=C(Cl)C[C@@H](NC(=O)c1cnn(CC)n1)C(=O)[O-]	ZINC000910269509	613388730	/nfs/dbraw/zinc/38/87/30/613388730.db2.gz	BYCLGFIQGKGKKY-SSDOTTSWSA-N	-1	0	272.692	0.624	20	30		CCEDRM
C=C(Cl)C[C@H](NC(=O)c1ccc(=O)n(CC)n1)C(=O)[O-]	ZINC000864184991	613390860	/nfs/dbraw/zinc/39/08/60/613390860.db2.gz	ZNMXXSNWIHHDND-VIFPVBQESA-N	-1	0	299.714	0.589	20	30		CCEDRM
C=CC[C@@H](N[C@@H]1CCN(c2cc(=O)[nH]cn2)C1)C(=O)OC	ZINC000901689279	613406070	/nfs/dbraw/zinc/40/60/70/613406070.db2.gz	ZSOKFSLJXSHRDI-GHMZBOCLSA-N	-1	0	292.339	0.468	20	30		CCEDRM
C=CCn1cc(CNC(=O)[C@]2(C(=O)[O-])C[C@H]2C)nn1	ZINC000901681184	613435700	/nfs/dbraw/zinc/43/57/00/613435700.db2.gz	CIRFTIKPSIOIQJ-PELKAZGASA-N	-1	0	264.285	0.191	20	30		CCEDRM
C=C[C@@H](C)O[N-]C(=O)Cn1cc(C(=O)OC)cn1	ZINC000862132479	613443706	/nfs/dbraw/zinc/44/37/06/613443706.db2.gz	GOGHCNOUIBNTRY-MRVPVSSYSA-N	-1	0	253.258	0.292	20	30		CCEDRM
C=CC(C)(C)C(=O)[N-]S(=O)(=O)C[C@@H](COC)OC	ZINC000853210059	613444087	/nfs/dbraw/zinc/44/40/87/613444087.db2.gz	RCMSSKBBYWYJDV-SECBINFHSA-N	-1	0	279.358	0.306	20	30		CCEDRM
C=CC(C)(C)CC(=O)[N-]S(=O)(=O)C[C@@H](COC)OC	ZINC000893248719	613446067	/nfs/dbraw/zinc/44/60/67/613446067.db2.gz	WFBNIMCHLPNTBL-SNVBAGLBSA-N	-1	0	293.385	0.696	20	30		CCEDRM
C=CC1(S(=O)(=O)[N-]C(=O)c2ccnc3c2CCN3)CC1	ZINC000901059216	613450453	/nfs/dbraw/zinc/45/04/53/613450453.db2.gz	MUDWRYNSFMWNJA-UHFFFAOYSA-N	-1	0	293.348	0.367	20	30		CCEDRM
C=C[C@@H](O)C(=O)N1CC[C@@](C(=O)[O-])(C(F)(F)F)C1	ZINC000909764557	613450658	/nfs/dbraw/zinc/45/06/58/613450658.db2.gz	YTZKLPIXBZVQNF-HZGVNTEJSA-N	-1	0	267.203	0.399	20	30		CCEDRM
C=CC1(S(=O)(=O)[N-]C(=O)C[C@@H](C)COC)CC1	ZINC000870834281	613450838	/nfs/dbraw/zinc/45/08/38/613450838.db2.gz	UITCYMNFIULZNQ-SECBINFHSA-N	-1	0	261.343	0.824	20	30		CCEDRM
C=C[C@@H](O)C(=O)N1Cc2ccccc2C[C@@H]1C(=O)[O-]	ZINC000908895594	613451310	/nfs/dbraw/zinc/45/13/10/613451310.db2.gz	GTQINZZHQUJALR-VXGBXAGGSA-N	-1	0	261.277	0.571	20	30		CCEDRM
C=CC1(S(=O)(=O)[N-]C(=O)[C@@H]2C[C@H](C)O[C@H]2C)CC1	ZINC000870839891	613451293	/nfs/dbraw/zinc/45/12/93/613451293.db2.gz	ZRDLVPQKQTUCIP-LPEHRKFASA-N	-1	0	273.354	0.965	20	30		CCEDRM
C=CC1(S(=O)(=O)[N-]C(=O)[C@H](OC)c2cnn(C)c2)CC1	ZINC000870836672	613451511	/nfs/dbraw/zinc/45/15/11/613451511.db2.gz	LDIUYEFWUPLALC-SNVBAGLBSA-N	-1	0	299.352	0.272	20	30		CCEDRM
C=CC1(S(=O)(=O)[N-]C(=O)[C@H](CCC)OC)CC1	ZINC000870837795	613451514	/nfs/dbraw/zinc/45/15/14/613451514.db2.gz	BUCSDIDMJSUWGK-VIFPVBQESA-N	-1	0	261.343	0.966	20	30		CCEDRM
C=C[C@@H](O)C(=O)NC[C@@H](C(=O)[O-])c1ccc(C)cc1	ZINC000909251489	613451687	/nfs/dbraw/zinc/45/16/87/613451687.db2.gz	YEUBAGJBFWHFKR-VXGBXAGGSA-N	-1	0	263.293	0.826	20	30		CCEDRM
C=CC1(S(=O)(=O)[N-]C(=O)[C@H](C)OCCOCC)CC1	ZINC000870832541	613451692	/nfs/dbraw/zinc/45/16/92/613451692.db2.gz	KXVWRGMHLWYQLJ-JTQLQIEISA-N	-1	0	291.369	0.593	20	30		CCEDRM
C=C[C@@H](O)C(=O)NC[C@@H](SCC(=O)[O-])C(F)(F)F	ZINC000910352853	613451734	/nfs/dbraw/zinc/45/17/34/613451734.db2.gz	XNNDCEBKXIAQNQ-PHDIDXHHSA-N	-1	0	287.259	0.398	20	30		CCEDRM
C=C[C@@H](O)C(=O)NC[C@H](C(=O)[O-])C1CCCCC1	ZINC000910234497	613451738	/nfs/dbraw/zinc/45/17/38/613451738.db2.gz	SRCSUCJGPZOYNF-WDEREUQCSA-N	-1	0	255.314	0.931	20	30		CCEDRM
C=C[C@@H](O)C(=O)N[C@](C)(CC(=O)[O-])c1ccccn1	ZINC000911616938	613453131	/nfs/dbraw/zinc/45/31/31/613453131.db2.gz	SJAKPBHMYKYZJZ-NOZJJQNGSA-N	-1	0	264.281	0.435	20	30		CCEDRM
C=CCC(CC=C)C(=O)N1CCC(O)(c2nnn[n-]2)CC1	ZINC000798145840	613453300	/nfs/dbraw/zinc/45/33/00/613453300.db2.gz	RFYJGDLZLGTHLH-UHFFFAOYSA-N	-1	0	291.355	0.778	20	30		CCEDRM
C=CCC(F)(F)C(=O)[N-]S(=O)(=O)CC#CC	ZINC000816056345	613454882	/nfs/dbraw/zinc/45/48/82/613454882.db2.gz	OKOUVKUAYDHYEV-UHFFFAOYSA-N	-1	0	251.254	0.667	20	30		CCEDRM
C=CCC(F)(F)C(=O)[N-]S(=O)(=O)[C@H](C)C(=O)OC	ZINC000816015428	613455176	/nfs/dbraw/zinc/45/51/76/613455176.db2.gz	JNCKTAIGAJUMIW-ZCFIWIBFSA-N	-1	0	285.268	0.205	20	30		CCEDRM
C=CCC1(C(=O)N[C@@H](C)C(=O)N[C@H](C)C(=O)[O-])CCC1	ZINC000910744331	613456494	/nfs/dbraw/zinc/45/64/94/613456494.db2.gz	XRVXWRDDGXSHSQ-VHSXEESVSA-N	-1	0	282.340	0.827	20	30		CCEDRM
C=CCC1(C(=O)[O-])CN(S(=O)(=O)CC(C)(C)OC)C1	ZINC000906006897	613456833	/nfs/dbraw/zinc/45/68/33/613456833.db2.gz	LWWUFAOANRRJGK-UHFFFAOYSA-N	-1	0	291.369	0.704	20	30		CCEDRM
C=CCC1(NC(=O)[C@H](OC)C(=O)[O-])CCOCC1	ZINC000902060909	613457398	/nfs/dbraw/zinc/45/73/98/613457398.db2.gz	DMIMMSVRJIXHHN-VIFPVBQESA-N	-1	0	257.286	0.328	20	30		CCEDRM
C=CCC1(NC(=O)NCC(=O)[N-]OC)CCCC1	ZINC000927217175	613457524	/nfs/dbraw/zinc/45/75/24/613457524.db2.gz	YDLVYSMADXKJNE-UHFFFAOYSA-N	-1	0	255.318	0.852	20	30		CCEDRM
C=CCC1(S(=O)(=O)[N-]C(=O)C[C@@H]2CCOC2)CC1	ZINC000810981732	613460788	/nfs/dbraw/zinc/46/07/88/613460788.db2.gz	IAIQTBXARDZOBE-JTQLQIEISA-N	-1	0	273.354	0.968	20	30		CCEDRM
C=CCCC[C@@H](N)C(=O)[N-]S(=O)(=O)C1(C=C)CC1	ZINC000901058639	613470022	/nfs/dbraw/zinc/47/00/22/613470022.db2.gz	GKCWTYHKXCDWKK-SNVBAGLBSA-N	-1	0	272.370	0.835	20	30		CCEDRM
C=CCCC[C@@H](NS(=O)(=O)N(C)C1CC1)C(=O)[O-]	ZINC000903058443	613471510	/nfs/dbraw/zinc/47/15/10/613471510.db2.gz	HCBHFGQRIOFJON-SNVBAGLBSA-N	-1	0	276.358	0.725	20	30		CCEDRM
C=CCCC[C@H](NC(=O)CN1CCCCC1=O)C(=O)[O-]	ZINC000910921788	613473193	/nfs/dbraw/zinc/47/31/93/613473193.db2.gz	GALJSYGBLIWVHO-NSHDSACASA-N	-1	0	282.340	0.925	20	30		CCEDRM
C=CCCC[C@H](NC(=O)[C@H](C)C(=O)[O-])C(=O)OC	ZINC000902835902	613473632	/nfs/dbraw/zinc/47/36/32/613473632.db2.gz	RMAKZMDPNIPEDL-IUCAKERBSA-N	-1	0	257.286	0.721	20	30		CCEDRM
C=C[C@H](C)NS(=O)(=O)c1ccccc1-c1nn[nH]n1	ZINC000823882854	613483274	/nfs/dbraw/zinc/48/32/74/613483274.db2.gz	FADHLLHAWVUJFE-QMMMGPOBSA-N	-1	0	279.325	0.720	20	30		CCEDRM
C=C[C@H](C)O[N-]C(=O)C(=O)Nc1ccnc(OC)c1	ZINC000846157589	613483657	/nfs/dbraw/zinc/48/36/57/613483657.db2.gz	VQKBEHXOKMDXMA-QMMMGPOBSA-N	-1	0	265.269	0.651	20	30		CCEDRM
C=C[C@H](C)O[N-]C(=O)C(=O)Nc1cnn(CCF)c1	ZINC000861898676	613483691	/nfs/dbraw/zinc/48/36/91/613483691.db2.gz	JHNZIBKNSQQVPT-QMMMGPOBSA-N	-1	0	270.264	0.413	20	30		CCEDRM
C=C[C@H](C)O[N-]C(=O)Cn1c2ccccc2n(C)c1=O	ZINC000846543599	613484559	/nfs/dbraw/zinc/48/45/59/613484559.db2.gz	LVNDLBZAOMOYQJ-JTQLQIEISA-N	-1	0	275.308	0.962	20	30		CCEDRM
C=C[C@H](C)O[N-]C(=O)[C@@]12CCC(=O)N1CCS2	ZINC000846543494	613488312	/nfs/dbraw/zinc/48/83/12/613488312.db2.gz	KUWHMCCWZKPVQV-KWQFWETISA-N	-1	0	256.327	0.674	20	30		CCEDRM
C=C[C@](C)(O)C(=O)N1CC[C@]2(C(=O)[O-])CCC[C@H]12	ZINC000910397128	613507218	/nfs/dbraw/zinc/50/72/18/613507218.db2.gz	WTDYPMZVCIMJEU-TVYUQYBPSA-N	-1	0	253.298	0.779	20	30		CCEDRM
CC#CC(=O)N1CC[C@](C)([N-]C(=O)C(F)(F)F)C1	ZINC000830807162	613518293	/nfs/dbraw/zinc/51/82/93/613518293.db2.gz	DABHAUPPDAVNCH-JTQLQIEISA-N	-1	0	262.231	0.679	20	30		CCEDRM
CC#CCN(C)C(=O)CC[C@@H]1C[C@H](C(=O)[O-])CO1	ZINC000911701812	613523626	/nfs/dbraw/zinc/52/36/26/613523626.db2.gz	AMVDJXQHFUZLNE-WDEREUQCSA-N	-1	0	253.298	0.738	20	30		CCEDRM
C=CCCNC(=O)N[C@@](C)(Cn1cccn1)C(=O)[O-]	ZINC000900286256	613569348	/nfs/dbraw/zinc/56/93/48/613569348.db2.gz	KGZVFJRGAVJJDS-LBPRGKRZSA-N	-1	0	266.301	0.602	20	30		CCEDRM
C=CCCOCC(=O)[N-]S(=O)(=O)c1cnc(C)s1	ZINC000755885311	613572831	/nfs/dbraw/zinc/57/28/31/613572831.db2.gz	FXWLGNCFJQLSAZ-UHFFFAOYSA-N	-1	0	290.366	0.849	20	30		CCEDRM
C=CCCOCC(=O)O[C@H]1CN(C(=O)[O-])CCC1=O	ZINC000823496226	613573716	/nfs/dbraw/zinc/57/37/16/613573716.db2.gz	GHFPJGVMCSJQAZ-JTQLQIEISA-N	-1	0	271.269	0.444	20	30		CCEDRM
C=CCCO[N-]C(=O)CN1C(=O)NC2(CCCC2)C1=O	ZINC000856028414	613576835	/nfs/dbraw/zinc/57/68/35/613576835.db2.gz	HMQWQAMRPOZOPN-UHFFFAOYSA-N	-1	0	281.312	0.475	20	30		CCEDRM
C=CCCO[N-]C(=O)[C@@](C)(O)Cn1c(C)cccc1=O	ZINC000856034894	613577182	/nfs/dbraw/zinc/57/71/82/613577182.db2.gz	NSQFMSFOCDIMFN-AWEZNQCLSA-N	-1	0	280.324	0.532	20	30		CCEDRM
C=CCCO[N-]C(=O)[C@H]1COCCN1CC(F)(F)F	ZINC000856034320	613577213	/nfs/dbraw/zinc/57/72/13/613577213.db2.gz	DPMICYDPNHLSHI-SECBINFHSA-N	-1	0	282.262	0.873	20	30		CCEDRM
C=CCCO[N-]C(=O)[C@H](CC(N)=O)NC(=O)CC(C)C	ZINC000856035023	613577304	/nfs/dbraw/zinc/57/73/04/613577304.db2.gz	QMTYLAXFAWNSFI-JTQLQIEISA-N	-1	0	285.344	0.017	20	30		CCEDRM
C=CCCO[C@H](C)C(=O)N1CCC[C@@H]1C(=O)NCC(=O)[O-]	ZINC000910762332	613579036	/nfs/dbraw/zinc/57/90/36/613579036.db2.gz	RVBGMURCWKRFHR-GHMZBOCLSA-N	-1	0	298.339	0.159	20	30		CCEDRM
C=CCCO[C@H](C)C(=O)N[C@](C)(Cn1cccn1)C(=O)[O-]	ZINC000908272749	613579549	/nfs/dbraw/zinc/57/95/49/613579549.db2.gz	ONBJNXAMWCRRAO-BXUZGUMPSA-N	-1	0	295.339	0.824	20	30		CCEDRM
C=CCCO[C@H](C)C(=O)NC[C@@H]1CCO[C@@H]1C(=O)[O-]	ZINC000864213411	613579579	/nfs/dbraw/zinc/57/95/79/613579579.db2.gz	LZQYKGOEEWYDNK-VWYCJHECSA-N	-1	0	271.313	0.574	20	30		CCEDRM
C=CCCO[C@H](C)C(=O)O[C@@H]1CN(C(=O)[O-])CCC1=O	ZINC000823497203	613580046	/nfs/dbraw/zinc/58/00/46/613580046.db2.gz	YOUDZLNHLCBVCV-MWLCHTKSSA-N	-1	0	285.296	0.832	20	30		CCEDRM
C=CCCS(=O)(=O)N(CC)C1CN(C(=O)[O-])C1	ZINC000823500973	613580138	/nfs/dbraw/zinc/58/01/38/613580138.db2.gz	OHVUQNWKAQQZMB-UHFFFAOYSA-N	-1	0	262.331	0.576	20	30		CCEDRM
C=CCCS(=O)(=O)NCc1cccc(-c2nn[nH]n2)c1	ZINC000819740055	613581726	/nfs/dbraw/zinc/58/17/26/613581726.db2.gz	MVGSDHKMLPBPGK-UHFFFAOYSA-N	-1	0	293.352	0.862	20	30		CCEDRM
C=CCC[C@@H](NC(=O)[C@]1(C#N)CCCOC1)C(=O)[O-]	ZINC000923083857	613584997	/nfs/dbraw/zinc/58/49/97/613584997.db2.gz	SWAZZKQZLZMLBB-MFKMUULPSA-N	-1	0	266.297	0.842	20	30		CCEDRM
C=CCC[C@@H](NC(=O)c1cn(CC2CC2)nn1)C(=O)[O-]	ZINC000909712071	613585930	/nfs/dbraw/zinc/58/59/30/613585930.db2.gz	GVLNXKJVCQDOCU-SNVBAGLBSA-N	-1	0	278.312	0.837	20	30		CCEDRM
C=CCC[C@H](NC(=O)Cn1ccnc1C)C(=O)[O-]	ZINC000909718539	613590017	/nfs/dbraw/zinc/59/00/17/613590017.db2.gz	QAKYFTOBQQRBKZ-JTQLQIEISA-N	-1	0	251.286	0.727	20	30		CCEDRM
C=CCCn1cc(C=NNc2nnc(C)c(=O)[n-]2)nn1	ZINC000853270406	613598147	/nfs/dbraw/zinc/59/81/47/613598147.db2.gz	VYIYPIUTOVVPFS-UHFFFAOYSA-N	-1	0	274.288	0.499	20	30		CCEDRM
C=CCN(CC(=O)[O-])C(=O)NCc1cc(CC)n[nH]1	ZINC000908982865	613642339	/nfs/dbraw/zinc/64/23/39/613642339.db2.gz	NJDPEAOCMDBRDL-UHFFFAOYSA-N	-1	0	266.301	0.754	20	30		CCEDRM
C=CCN(CC(=O)[O-])C(=O)N[C@@H]1CCO[C@@]2(CCOC2)C1	ZINC000908700480	613642376	/nfs/dbraw/zinc/64/23/76/613642376.db2.gz	XGRYYKFEMFULKL-RISCZKNCSA-N	-1	0	298.339	0.607	20	30		CCEDRM
C=CCN(CC(=O)[O-])C(=O)NC[C@H](OC)[C@@H]1CCOC1	ZINC000849237048	613642739	/nfs/dbraw/zinc/64/27/39/613642739.db2.gz	PQYCFKQMSADULN-MNOVXSKESA-N	-1	0	286.328	0.320	20	30		CCEDRM
C=CCN(CC(=O)[O-])C(=O)NCc1cn(C)cn1	ZINC000900306672	613642763	/nfs/dbraw/zinc/64/27/63/613642763.db2.gz	RGHJLLFTMLUAHL-UHFFFAOYSA-N	-1	0	252.274	0.202	20	30		CCEDRM
C=CCN(CC(=O)[O-])C(=O)N[C@@H](COC)[C@H]1CCCO1	ZINC000929049033	613642778	/nfs/dbraw/zinc/64/27/78/613642778.db2.gz	HZCAKHXUSKAYTM-WDEREUQCSA-N	-1	0	286.328	0.463	20	30		CCEDRM
C=CCN(CC(=O)[O-])C(=O)Nc1ccnn1[C@@H]1CCOC1	ZINC000900351994	613643049	/nfs/dbraw/zinc/64/30/49/613643049.db2.gz	VPXVZYXHDDUVOH-SNVBAGLBSA-N	-1	0	294.311	0.949	20	30		CCEDRM
C=CCN(CC(=O)[O-])C(=O)[C@@H]1CCCc2nn[nH]c21	ZINC000909516997	613643265	/nfs/dbraw/zinc/64/32/65/613643265.db2.gz	WROQCLYFEWMEGK-MRVPVSSYSA-N	-1	0	264.285	0.324	20	30		CCEDRM
C=CCN(CC(=O)[O-])C(=O)[C@@H]1CCO[C@H]1C1CC1	ZINC000909516768	613643329	/nfs/dbraw/zinc/64/33/29/613643329.db2.gz	QXDILOVLWLJLHT-PWSUYJOCSA-N	-1	0	253.298	0.901	20	30		CCEDRM
C=CCN(CC(=O)[O-])C(=O)c1cnc([C@H](C)O)s1	ZINC000909516664	613643679	/nfs/dbraw/zinc/64/36/79/613643679.db2.gz	MIXMQVSXKGHSIU-ZETCQYMHSA-N	-1	0	270.310	0.909	20	30		CCEDRM
C=CCN(CC(=O)[O-])C(=O)c1cn(C2CCC2)nn1	ZINC000844155564	613643732	/nfs/dbraw/zinc/64/37/32/613643732.db2.gz	RVNZLUWQOMNFKJ-UHFFFAOYSA-N	-1	0	264.285	0.716	20	30		CCEDRM
C=CCN(CC(=O)[O-])C(=O)c1c2c(nn1C)CCC2	ZINC000909516889	613643772	/nfs/dbraw/zinc/64/37/72/613643772.db2.gz	RNHDFGHPVZDQSQ-UHFFFAOYSA-N	-1	0	263.297	0.622	20	30		CCEDRM
C=CCN(CC(=O)[O-])C(=O)c1ncn(C(C)(C)C)n1	ZINC000844154438	613643855	/nfs/dbraw/zinc/64/38/55/613643855.db2.gz	AWNFYAUBAQRNCV-UHFFFAOYSA-N	-1	0	266.301	0.746	20	30		CCEDRM
CC#CCOC(=O)CO[C@H]1CCCN(C(=O)[O-])C1	ZINC000823522025	613645311	/nfs/dbraw/zinc/64/53/11/613645311.db2.gz	PVNLZACEVPXRPM-JTQLQIEISA-N	-1	0	255.270	0.712	20	30		CCEDRM
CC#CCS(=O)(=O)[N-]C(=O)CN(CC)c1ccccc1	ZINC000810774431	613645765	/nfs/dbraw/zinc/64/57/65/613645765.db2.gz	ZDZVKJRYYZQCMT-UHFFFAOYSA-N	-1	0	294.376	0.982	20	30		CCEDRM
CC#CCS(=O)(=O)[N-]C(=O)CCC(F)(F)F	ZINC000810774691	613645851	/nfs/dbraw/zinc/64/58/51/613645851.db2.gz	MVHNJBQGQJLIJL-UHFFFAOYSA-N	-1	0	257.233	0.798	20	30		CCEDRM
CC#CCS(=O)(=O)[N-]C(=O)Cc1nc(C)sc1C	ZINC000810773505	613646167	/nfs/dbraw/zinc/64/61/67/613646167.db2.gz	HMMQOUIZELTIRD-UHFFFAOYSA-N	-1	0	286.378	0.772	20	30		CCEDRM
CC#CCS(=O)(=O)[N-]C(=O)[C@@H](C)Cn1ccc(C)n1	ZINC000870332132	613646316	/nfs/dbraw/zinc/64/63/16/613646316.db2.gz	SJQOMYRIFQVMCW-JTQLQIEISA-N	-1	0	283.353	0.297	20	30		CCEDRM
CC#CCS(=O)(=O)[N-]C(=O)[C@@H]1CCO[C@@H](CC)C1	ZINC000810777806	613646684	/nfs/dbraw/zinc/64/66/84/613646684.db2.gz	PZZNXSFUFOVMMF-MNOVXSKESA-N	-1	0	273.354	0.661	20	30		CCEDRM
CC#CCS(=O)(=O)[N-]C(=O)[C@@H]1C[C@@H]1[C@@H]1C[C@H]1C	ZINC000870332659	613646694	/nfs/dbraw/zinc/64/66/94/613646694.db2.gz	XWAIJMIGPPDQHC-GWOFURMSSA-N	-1	0	255.339	0.748	20	30		CCEDRM
CC#CCS(=O)(=O)[N-]C(=O)[C@@H]1C[C@H]1c1ccco1	ZINC000860720805	613646704	/nfs/dbraw/zinc/64/67/04/613646704.db2.gz	NXLCNCDKGJRKMX-NXEZZACHSA-N	-1	0	267.306	0.852	20	30		CCEDRM
CC#CCS(=O)(=O)[N-]C(=O)[C@H]1CC[C@@H](OC)C1	ZINC000851000190	613647179	/nfs/dbraw/zinc/64/71/79/613647179.db2.gz	QYJNHCXNOCYTND-VHSXEESVSA-N	-1	0	259.327	0.271	20	30		CCEDRM
CC#CCS(=O)(=O)[N-]C(=O)[C@H]1CC1(Cl)Cl	ZINC000791111739	613647254	/nfs/dbraw/zinc/64/72/54/613647254.db2.gz	XGTZNVUBTYVFIN-ZCFIWIBFSA-N	-1	0	270.137	0.650	20	30		CCEDRM
CC#CCS(=O)(=O)[N-]C(=O)c1ccc(C(C)=O)cc1	ZINC000791110586	613647463	/nfs/dbraw/zinc/64/74/63/613647463.db2.gz	FWVVUGIYYNJABZ-UHFFFAOYSA-N	-1	0	279.317	0.972	20	30		CCEDRM
CC#CCS(=O)(=O)[N-]C(=O)c1ccc(N(C)C)c(F)c1	ZINC000810777464	613647640	/nfs/dbraw/zinc/64/76/40/613647640.db2.gz	CVHLYSJMMXUFAX-UHFFFAOYSA-N	-1	0	298.339	0.975	20	30		CCEDRM
CC#CCS(=O)(=O)[N-]C(=O)c1ccc2c(c1)OCO2	ZINC000791111245	613647783	/nfs/dbraw/zinc/64/77/83/613647783.db2.gz	RFHHBQWNRTWIKV-UHFFFAOYSA-N	-1	0	281.289	0.498	20	30		CCEDRM
CC#CCS(=O)(=O)[N-]C(=O)c1nc(C)oc1C	ZINC000816056371	613648025	/nfs/dbraw/zinc/64/80/25/613648025.db2.gz	PSTRNUZMFLABQA-UHFFFAOYSA-N	-1	0	256.283	0.374	20	30		CCEDRM
CC#CCS(=O)(=O)[N-]C(=O)c1coc2c1C(=O)CCC2	ZINC000835372377	613648054	/nfs/dbraw/zinc/64/80/54/613648054.db2.gz	SOMZZXFVZUKFEU-UHFFFAOYSA-N	-1	0	295.316	0.882	20	30		CCEDRM
CC(=NNCCC(=O)[O-])c1ccc(S(C)(=O)=O)cc1	ZINC000819726808	613655263	/nfs/dbraw/zinc/65/52/63/613655263.db2.gz	RLFFYDJBCAOZDR-UHFFFAOYSA-N	-1	0	284.337	0.878	20	30		CCEDRM
C=CCNC(=O)C(C#N)=C([O-])c1cnn2c1CCCC2	ZINC000125612056	613852902	/nfs/dbraw/zinc/85/29/02/613852902.db2.gz	RSRPNQIHBMCZFP-JTQLQIEISA-N	-1	0	272.308	0.844	20	30		CCEDRM
C=CCNC(=O)C(C#N)=C([O-])c1cnn(-c2ccccc2)n1	ZINC000916919983	613852920	/nfs/dbraw/zinc/85/29/20/613852920.db2.gz	FPCCNMNCODWHAO-LBPRGKRZSA-N	-1	0	295.302	0.892	20	30		CCEDRM
C=CCNC(=O)C(C#N)=C([O-])c1c[nH]c(C(=O)OC)c1	ZINC000815908758	613853021	/nfs/dbraw/zinc/85/30/21/613853021.db2.gz	ILGRHNOXKMPKFB-VIFPVBQESA-N	-1	0	275.264	0.426	20	30		CCEDRM
C=CCNC(=O)[C@H](C)OC(=O)[C@@H]1CC[C@@H](NC(=O)[O-])C1	ZINC000823507025	613855668	/nfs/dbraw/zinc/85/56/68/613855668.db2.gz	QITPYCATPCYTCZ-IVZWLZJFSA-N	-1	0	284.312	0.657	20	30		CCEDRM
C=CCNC(=O)[C@H](C)OC(=O)[C@H](NC(=O)[O-])C(C)C	ZINC000825687428	613855690	/nfs/dbraw/zinc/85/56/90/613855690.db2.gz	JTKOSIBNFKQPIY-DTWKUNHWSA-N	-1	0	272.301	0.513	20	30		CCEDRM
C=CCOCC(=O)N[C@@H](C[C@H]1CCCOC1)C(=O)[O-]	ZINC000910235045	613879413	/nfs/dbraw/zinc/87/94/13/613879413.db2.gz	BGSZDHOHSOPFKR-MNOVXSKESA-N	-1	0	271.313	0.575	20	30		CCEDRM
C=CCOCC(=O)N[C@H](C(=O)[O-])[C@H]1CCC[C@@H](OC)C1	ZINC000909907787	613879483	/nfs/dbraw/zinc/87/94/83/613879483.db2.gz	PLUTZGDJOQNMQY-LOWVWBTDSA-N	-1	0	285.340	0.964	20	30		CCEDRM
C=CCOCC(=O)N[C@H](CC1(OC)CCC1)C(=O)[O-]	ZINC000909888661	613879547	/nfs/dbraw/zinc/87/95/47/613879547.db2.gz	IIDACIQUJQKLIM-SNVBAGLBSA-N	-1	0	271.313	0.718	20	30		CCEDRM
C=CCOCC(=O)N[C@@H]1CCCn2nc(C(=O)[O-])cc21	ZINC000908113107	613879566	/nfs/dbraw/zinc/87/95/66/613879566.db2.gz	CPYVEHMXDDCVGP-SECBINFHSA-N	-1	0	279.296	0.735	20	30		CCEDRM
C=CCOCCCC(=O)N1CCC([C@@H](O)C(=O)[O-])CC1	ZINC000833375497	613879596	/nfs/dbraw/zinc/87/95/96/613879596.db2.gz	AVMAKAZVUJAUFP-CYBMUJFWSA-N	-1	0	285.340	0.653	20	30		CCEDRM
C=CCOCCCC(=O)N[C@H]1CCN(C(=O)[O-])C1	ZINC000823516946	613879868	/nfs/dbraw/zinc/87/98/68/613879868.db2.gz	ZHGGWDRHSCRQNZ-JTQLQIEISA-N	-1	0	256.302	0.838	20	30		CCEDRM
C=CCOCCNC(=O)NCc1ccc(C(=O)[O-])o1	ZINC000302430163	613880874	/nfs/dbraw/zinc/88/08/74/613880874.db2.gz	SBWYOFFPIMITTF-UHFFFAOYSA-N	-1	0	268.269	0.980	20	30		CCEDRM
C=CCOC[C@@H](NC(=O)NC[C@H]1C[C@H](OC)C1)C(=O)[O-]	ZINC000905568957	613881614	/nfs/dbraw/zinc/88/16/14/613881614.db2.gz	PSJVIKAEOROBBD-GMTAPVOTSA-N	-1	0	286.328	0.366	20	30		CCEDRM
C=CCOC[C@@H](NC(=O)[C@@H]1CSCCS1)C(=O)[O-]	ZINC000909770702	613881756	/nfs/dbraw/zinc/88/17/56/613881756.db2.gz	KJRBMSSVELGGIC-BDAKNGLRSA-N	-1	0	291.394	0.607	20	30		CCEDRM
C=CCOC[C@@H](NC(=O)[C@@H](O)Cc1ccccc1)C(=O)[O-]	ZINC000909769170	613881779	/nfs/dbraw/zinc/88/17/79/613881779.db2.gz	BLRKNDMEYRIEFW-OLZOCXBDSA-N	-1	0	293.319	0.362	20	30		CCEDRM
C=CCOC[C@H](NC(=O)COc1ccsc1)C(=O)[O-]	ZINC000909770932	613882319	/nfs/dbraw/zinc/88/23/19/613882319.db2.gz	JKTPLXQCZPKBKK-JTQLQIEISA-N	-1	0	285.321	0.899	20	30		CCEDRM
C=CCOC[C@H](NC(=O)[C@@H](O)C(C)(C)CC)C(=O)[O-]	ZINC000909771462	613882482	/nfs/dbraw/zinc/88/24/82/613882482.db2.gz	NIHZTAOXGHPURV-VHSXEESVSA-N	-1	0	273.329	0.556	20	30		CCEDRM
C=CCOC[C@H](NC(=O)[C@@H]1CCC(=O)[C@H](C)C1)C(=O)[O-]	ZINC000909771286	613882500	/nfs/dbraw/zinc/88/25/00/613882500.db2.gz	MCRRKBQGPNKKDN-MXWKQRLJSA-N	-1	0	283.324	0.764	20	30		CCEDRM
C=CCOC[C@H](NC(=O)[C@H]1C[C@]12CCOC2)C(=O)[O-]	ZINC000909769163	613882689	/nfs/dbraw/zinc/88/26/89/613882689.db2.gz	XPSGRRRZTLBCCS-NRUUGDAUSA-N	-1	0	269.297	0.185	20	30		CCEDRM
C=CCO[N-]C(=O)[C@@H](C)NS(=O)(=O)c1cccs1	ZINC000837043450	613884382	/nfs/dbraw/zinc/88/43/82/613884382.db2.gz	BZTFIPNHKPFJFA-MRVPVSSYSA-N	-1	0	290.366	0.649	20	30		CCEDRM
C=CCOc1cccnc1C(=O)OCC(=O)NCC(=O)[O-]	ZINC000833378545	613884972	/nfs/dbraw/zinc/88/49/72/613884972.db2.gz	JLOOXHOFRKZGFJ-UHFFFAOYSA-N	-1	0	294.263	0.004	20	30		CCEDRM
C=CCS(=O)(=O)CCNC(=O)c1cncc(C(=O)[O-])c1	ZINC000833378472	613885594	/nfs/dbraw/zinc/88/55/94/613885594.db2.gz	OMMYLWDGNOXJLU-UHFFFAOYSA-N	-1	0	298.320	0.110	20	30		CCEDRM
C=CCS(=O)(=O)[N-]C(=O)C(C)(C)C(=O)OC(C)(C)C	ZINC000842748696	613886090	/nfs/dbraw/zinc/88/60/90/613886090.db2.gz	RQPNRJDMFVECPC-UHFFFAOYSA-N	-1	0	291.369	0.986	20	30		CCEDRM
C=CCS(=O)(=O)[N-]C(=O)c1cc2c(cn1)OCCO2	ZINC000820399375	613886305	/nfs/dbraw/zinc/88/63/05/613886305.db2.gz	OZACTGHAQQEZNS-UHFFFAOYSA-N	-1	0	284.293	0.098	20	30		CCEDRM
C=CCS(=O)(=O)[N-]C(=O)c1ccc(C(=O)OC)n1C	ZINC000815997568	613886316	/nfs/dbraw/zinc/88/63/16/613886316.db2.gz	QBPBJZORZFDEQA-UHFFFAOYSA-N	-1	0	286.309	0.057	20	30		CCEDRM
CC(C)NC(=O)C(C#N)=C([O-])c1ccnc2c1ncn2C	ZINC000805856370	613933614	/nfs/dbraw/zinc/93/36/14/613933614.db2.gz	URADALSHFQYIEZ-SNVBAGLBSA-N	-1	0	285.307	0.815	20	30		CCEDRM
CC(C)NC(=O)[C@H](C#N)C(=O)[C@H]1CC[C@@H](NC(=O)[O-])C1	ZINC000824368529	613933729	/nfs/dbraw/zinc/93/37/29/613933729.db2.gz	LWOTVQGPZPFZFY-IVZWLZJFSA-N	-1	0	281.312	0.656	20	30		CCEDRM
CC(C)NC(=O)C(C#N)=C([O-])c1nnn(C(C)(C)C)n1	ZINC000850762277	613934382	/nfs/dbraw/zinc/93/43/82/613934382.db2.gz	WQZIZKZPVCVMFD-MRVPVSSYSA-N	-1	0	278.316	0.275	20	30		CCEDRM
CC(C)OCCON=Cc1cn(CC(=O)[O-])nn1	ZINC000812237598	614017935	/nfs/dbraw/zinc/01/79/35/614017935.db2.gz	ICYHCOIZMCQPGJ-UHFFFAOYSA-N	-1	0	256.262	0.138	20	30		CCEDRM
CC(C)OC[C@H](C(=O)[O-])N(C)C(=O)c1ccc(C#N)cn1	ZINC000827006787	614032605	/nfs/dbraw/zinc/03/26/05/614032605.db2.gz	PCZYGAKEZMRXNF-GFCCVEGCSA-N	-1	0	291.307	0.903	20	30		CCEDRM
CC(C)COC(=O)[C@H](C)NC(=O)[C@@](C)(C#N)CC(=O)[O-]	ZINC000819980428	614161098	/nfs/dbraw/zinc/16/10/98/614161098.db2.gz	QNSGXTMAPRRXHF-TVQRCGJNSA-N	-1	0	284.312	0.695	20	30		CCEDRM
CC(C)(O)CNN=Cc1ccccc1OCC(=O)[O-]	ZINC000863140332	614194226	/nfs/dbraw/zinc/19/42/26/614194226.db2.gz	IVPFNXAMCYAIRT-UHFFFAOYSA-N	-1	0	266.297	0.844	20	30		CCEDRM
CC(=O)OC1CCN(C(=O)[C@](C)(C#N)CC(=O)[O-])CC1	ZINC000819796881	614214283	/nfs/dbraw/zinc/21/42/83/614214283.db2.gz	OFAJHYMKGBAEFX-ZDUSSCGKSA-N	-1	0	282.296	0.545	20	30		CCEDRM
CC(C)C[C@H](NC(=O)CN(C)[C@H](C)CC#N)C(=O)[O-]	ZINC000826788147	614218930	/nfs/dbraw/zinc/21/89/30/614218930.db2.gz	VMVIBVDITGAYRF-MNOVXSKESA-N	-1	0	269.345	0.836	20	30		CCEDRM
CC(=O)O[C@@H]1CCCN(C(=O)[C@@](C)(C#N)CC(=O)[O-])C1	ZINC000819796764	614227496	/nfs/dbraw/zinc/22/74/96/614227496.db2.gz	JWQSNNPOFYCQGX-ZWNOBZJWSA-N	-1	0	282.296	0.545	20	30		CCEDRM
CC(C)Cn1[n-]c(CC(=O)N2CC(C#N)C2)cc1=O	ZINC000820507099	614234748	/nfs/dbraw/zinc/23/47/48/614234748.db2.gz	ONKFZQQICXRMAC-UHFFFAOYSA-N	-1	0	262.313	0.357	20	30		CCEDRM
CC(C)Cn1[n-]c(CC(=O)N(C)[C@@H](C)C#N)cc1=O	ZINC000905728765	614234843	/nfs/dbraw/zinc/23/48/43/614234843.db2.gz	PMJCHOHVRPYXPC-JTQLQIEISA-N	-1	0	264.329	0.745	20	30		CCEDRM
CC(C)Cn1[n-]c(CC(=O)N(C)CC#N)cc1=O	ZINC000931238949	614235170	/nfs/dbraw/zinc/23/51/70/614235170.db2.gz	AUJGFGUVUKHCBH-UHFFFAOYSA-N	-1	0	250.302	0.357	20	30		CCEDRM
CC(C)Cn1[n-]c(CC(=O)NCC2(C#N)CC2)cc1=O	ZINC000935783476	614235931	/nfs/dbraw/zinc/23/59/31/614235931.db2.gz	JLTHYSIEYZAJQG-UHFFFAOYSA-N	-1	0	276.340	0.795	20	30		CCEDRM
CC(C)Cn1[n-]c(CC(=O)NCCCC#N)cc1=O	ZINC000935338414	614236141	/nfs/dbraw/zinc/23/61/41/614236141.db2.gz	IDILSZJEMWCSBV-UHFFFAOYSA-N	-1	0	264.329	0.795	20	30		CCEDRM
CC(C)(C#N)CC(=O)[N-]S(=O)(=O)C[C@@H]1CCCOC1	ZINC000803001770	614285170	/nfs/dbraw/zinc/28/51/70/614285170.db2.gz	YJJFRANVAUQXOO-SNVBAGLBSA-N	-1	0	288.369	0.799	20	30		CCEDRM
CC(C)(C#N)NC(=O)C[C@H]1CSCCN1C(=O)[O-]	ZINC000823737845	614288535	/nfs/dbraw/zinc/28/85/35/614288535.db2.gz	NDWODYXEJJHJKW-QMMMGPOBSA-N	-1	0	271.342	0.890	20	30		CCEDRM
CC(C)N(CCC#N)C(=O)[C@H]1CN(C(=O)[O-])CCO1	ZINC000824335709	614290468	/nfs/dbraw/zinc/29/04/68/614290468.db2.gz	FYVPHCGLBBXDIU-SNVBAGLBSA-N	-1	0	269.301	0.516	20	30		CCEDRM
CC(C)n1ccc(C(=O)N2CCN(C(=O)[O-])C[C@@H]2C#N)n1	ZINC000824520227	614359281	/nfs/dbraw/zinc/35/92/81/614359281.db2.gz	MZXSFKCVMDAPAN-JTQLQIEISA-N	-1	0	291.311	0.792	20	30		CCEDRM
CC(C[C@H]1CCCN1C(=O)[O-])=NNCCS(C)(=O)=O	ZINC000824759224	614382417	/nfs/dbraw/zinc/38/24/17/614382417.db2.gz	JLHFSZOGSOMCTC-SNVBAGLBSA-N	-1	0	291.373	0.529	20	30		CCEDRM
CCCCOCC(=O)N1CCN(C(=O)[O-])C[C@@H]1C#N	ZINC000826841958	614444609	/nfs/dbraw/zinc/44/46/09/614444609.db2.gz	GORJQLAAKIKHPR-JTQLQIEISA-N	-1	0	269.301	0.517	20	30		CCEDRM
CCC(C#N)(CC)C(=O)[N-]S(=O)(=O)CCOC	ZINC000860538708	614470268	/nfs/dbraw/zinc/47/02/68/614470268.db2.gz	OUBVDRMSMZFVBK-UHFFFAOYSA-N	-1	0	262.331	0.409	20	30		CCEDRM
CCC[N@H+](C)CC(=O)N1CCN(C(=O)[O-])C[C@H]1C#N	ZINC000826893650	614514427	/nfs/dbraw/zinc/51/44/27/614514427.db2.gz	XKPIBSNZKKZIRJ-SNVBAGLBSA-N	-1	0	268.317	0.043	20	30		CCEDRM
CCN(C(=O)Cc1ccc(C#N)nc1)[C@H](C)C(=O)[O-]	ZINC000902044716	614595881	/nfs/dbraw/zinc/59/58/81/614595881.db2.gz	ARFLSHZYGLTZDH-SECBINFHSA-N	-1	0	261.281	0.817	20	30		CCEDRM
CCN(C)S(=O)(=O)[N-]C(=O)CC1(C#N)CCOCC1	ZINC000850862160	614883332	/nfs/dbraw/zinc/88/33/32/614883332.db2.gz	JSMVGIJGSFUUOU-UHFFFAOYSA-N	-1	0	289.357	0.010	20	30		CCEDRM
CC1=C(C(=O)[O-])C[C@@H](CN2CCN(CCC#N)CC2)O1	ZINC000833578578	614959193	/nfs/dbraw/zinc/95/91/93/614959193.db2.gz	KALNHGKUZWRECJ-LBPRGKRZSA-N	-1	0	279.340	0.665	20	30		CCEDRM
CC1=C(C(=O)[O-])C[C@@H](Cn2nc(C)c(C)c(C#N)c2=O)O1	ZINC000833580559	614959942	/nfs/dbraw/zinc/95/99/42/614959942.db2.gz	YTMPDUNUCZVFRX-JTQLQIEISA-N	-1	0	289.291	0.879	20	30		CCEDRM
CCN(CC)C(=O)COC(=O)[C@](C)(C#N)CC(=O)[O-]	ZINC000820338583	614980483	/nfs/dbraw/zinc/98/04/83/614980483.db2.gz	CMMKTHPVYHCKKB-LBPRGKRZSA-N	-1	0	270.285	0.403	20	30		CCEDRM
CCC[C@@H](CNC(=O)[C@@]1(C#N)CCCOC1)C(=O)[O-]	ZINC000923080952	614988192	/nfs/dbraw/zinc/98/81/92/614988192.db2.gz	KVXSLPYRYRENQG-GXFFZTMASA-N	-1	0	268.313	0.924	20	30		CCEDRM
CCC[C@@H](NC(=O)[O-])C(=O)N[C@@](C)(C#N)COC	ZINC000826751140	614991848	/nfs/dbraw/zinc/99/18/48/614991848.db2.gz	MPBWVFRFVMAYLK-KCJUWKMLSA-N	-1	0	257.290	0.468	20	30		CCEDRM
CC1CC(C#N)(C(=O)N2C[C@@H](C)O[C@H](C(=O)[O-])C2)C1	ZINC000923098333	615011008	/nfs/dbraw/zinc/01/10/08/615011008.db2.gz	JWELZZNCAXHOCI-YZOMMJAFSA-N	-1	0	266.297	0.627	20	30		CCEDRM
CC1CC(C(=O)N2CCN(C(=O)[O-])C[C@H]2C#N)C1	ZINC000825783623	615016809	/nfs/dbraw/zinc/01/68/09/615016809.db2.gz	LECHOHAMBZDHOT-UDNWOFFPSA-N	-1	0	251.286	0.747	20	30		CCEDRM
CCN1CCO[C@@H](C(=O)[N-]Oc2cccc(C#N)c2)C1	ZINC000870692353	615171000	/nfs/dbraw/zinc/17/10/00/615171000.db2.gz	BBDWSOROYCWRTR-CYBMUJFWSA-N	-1	0	275.308	0.689	20	30		CCEDRM
CCS(=O)(=O)[N-]C(=O)c1cc(C#N)cc(N(C)C)c1	ZINC000815946246	615339931	/nfs/dbraw/zinc/33/99/31/615339931.db2.gz	JTXCGZCNRQXDLG-UHFFFAOYSA-N	-1	0	281.337	0.704	20	30		CCEDRM
CCOC(=O)c1cc(C=NNc2nnc(C)c(=O)[n-]2)[nH]n1	ZINC000842523224	615401990	/nfs/dbraw/zinc/40/19/90/615401990.db2.gz	DMKGWSWYOJPTJZ-UHFFFAOYSA-N	-1	0	291.271	0.231	20	30		CCEDRM
CC[C@@H](CS(=O)(=O)[N-]c1ccncc1C#N)OC	ZINC000903150650	615494527	/nfs/dbraw/zinc/49/45/27/615494527.db2.gz	WFFKUEYWFDQTMQ-JTQLQIEISA-N	-1	0	269.326	0.542	20	30		CCEDRM
CCOc1ccc(CC(=O)[N-]S(=O)(=O)CCC#N)cc1	ZINC000835413796	615509682	/nfs/dbraw/zinc/50/96/82/615509682.db2.gz	SHIQPUUXRYWCIF-UHFFFAOYSA-N	-1	0	296.348	0.987	20	30		CCEDRM
CC[C@@H](NN=Cc1cnc2c(cnn2C)c1)C(=O)[O-]	ZINC000872376150	615536546	/nfs/dbraw/zinc/53/65/46/615536546.db2.gz	FXOPWRFSKOCUII-SNVBAGLBSA-N	-1	0	261.285	0.755	20	30		CCEDRM
CCc1ccc([C@H](C#N)NC(=O)c2cc(=O)[nH][n-]2)cc1	ZINC000813677117	615677916	/nfs/dbraw/zinc/67/79/16/615677916.db2.gz	WJJHOGWLXQBUBN-LBPRGKRZSA-N	-1	0	270.292	0.806	20	30		CCEDRM
CCn1ncn(N=Cc2cc(C(=O)[O-])c(C)[nH]2)c1=O	ZINC000814233781	615729067	/nfs/dbraw/zinc/72/90/67/615729067.db2.gz	HPAGBTUCQXDZAX-UHFFFAOYSA-N	-1	0	263.257	0.282	20	30		CCEDRM
CCc1nc(COC(=O)[C@](C)(C#N)CC(=O)[O-])no1	ZINC000820493054	615748965	/nfs/dbraw/zinc/74/89/65/615748965.db2.gz	YSOVBRPYVADAQU-NSHDSACASA-N	-1	0	267.241	0.680	20	30		CCEDRM
CCc1nocc1C([O-])=C(C#N)C(=O)NCCCOC	ZINC000860461918	615862977	/nfs/dbraw/zinc/86/29/77/615862977.db2.gz	OYDDKWYQAIQZIC-VIFPVBQESA-N	-1	0	279.296	0.712	20	30		CCEDRM
CCn1cc(C=CC([O-])=C2C(=O)C=C(C)OC2=O)nn1	ZINC000899336155	615929896	/nfs/dbraw/zinc/92/98/96/615929896.db2.gz	PHVNRFUISJGKDC-QMAVJUDZSA-N	-1	0	275.264	0.526	20	30		CCEDRM
CN(C)C(=O)CN[C@@H](C(=O)[O-])c1cccc(C#N)c1	ZINC000830551544	615971395	/nfs/dbraw/zinc/97/13/95/615971395.db2.gz	AIPKKIUGCQUUAH-GFCCVEGCSA-N	-1	0	261.281	0.362	20	30		CCEDRM
CC[C@]1(C(=O)[N-]Oc2cccc(C#N)c2)CCNC1=O	ZINC000870693546	615978148	/nfs/dbraw/zinc/97/81/48/615978148.db2.gz	LIPNAEWWVFENDL-AWEZNQCLSA-N	-1	0	273.292	0.885	20	30		CCEDRM
CCn1ccc(C(=O)[N-]S(=O)(=O)CCCC#N)n1	ZINC000842749447	616021056	/nfs/dbraw/zinc/02/10/56/616021056.db2.gz	CKRSLHPSMRCDKL-UHFFFAOYSA-N	-1	0	270.314	0.266	20	30		CCEDRM
CCn1ccc(CC(=O)[N-]S(=O)(=O)CC(C)(C)C#N)n1	ZINC000845502288	616026721	/nfs/dbraw/zinc/02/67/21/616026721.db2.gz	KSMTUZSGASZQAU-UHFFFAOYSA-N	-1	0	298.368	0.441	20	30		CCEDRM
CN1CC[C@@H](C(=O)[N-]Oc2cccc(C#N)c2)C1=O	ZINC000870691184	616266783	/nfs/dbraw/zinc/26/67/83/616266783.db2.gz	GOHSTENBMZNRHG-NSHDSACASA-N	-1	0	259.265	0.447	20	30		CCEDRM
COC(C)(C)CN(C)C(=O)[C@](C)(C#N)CC(=O)[O-]	ZINC000820697091	616294224	/nfs/dbraw/zinc/29/42/24/616294224.db2.gz	RKGSNJFNGJKZEB-LBPRGKRZSA-N	-1	0	256.302	0.874	20	30		CCEDRM
COC(=O)/C(C)=C\Cn1cc(C(=O)[O-])cc(C#N)c1=O	ZINC000831052887	616306936	/nfs/dbraw/zinc/30/69/36/616306936.db2.gz	DUQVMYCIUKGKNT-BAQGIRSFSA-N	-1	0	276.248	0.537	20	30		CCEDRM
COC/C(C)=C/C(=O)[N-]S(=O)(=O)CC(C)(C)C#N	ZINC000845503219	616367825	/nfs/dbraw/zinc/36/78/25/616367825.db2.gz	SBPXZVZTJSNQMZ-WEVVVXLNSA-N	-1	0	274.342	0.575	20	30		CCEDRM
COCCNC(=O)C(C#N)=C([O-])c1cnc(F)cc1C	ZINC000870137248	616492790	/nfs/dbraw/zinc/49/27/90/616492790.db2.gz	XMDVPYDWPQWADV-VIFPVBQESA-N	-1	0	279.271	0.614	20	30		CCEDRM
COCCNC(=O)C(C#N)=C([O-])c1nnc2ccccc2n1	ZINC000810529420	616492845	/nfs/dbraw/zinc/49/28/45/616492845.db2.gz	GKZZHTZYMJZNTP-VIFPVBQESA-N	-1	0	299.290	0.110	20	30		CCEDRM
COC1CCN(C(=O)[C@@](C)(C#N)CC(=O)[O-])CC1	ZINC000820703437	616522762	/nfs/dbraw/zinc/52/27/62/616522762.db2.gz	ZHXHVXRTHSGGGU-GFCCVEGCSA-N	-1	0	254.286	0.628	20	30		CCEDRM
COC(=O)CCCO[N-]C(=O)COc1cccc(C#N)c1	ZINC000811558062	616537772	/nfs/dbraw/zinc/53/77/72/616537772.db2.gz	GSYMXELEXMBMRF-UHFFFAOYSA-N	-1	0	292.291	0.938	20	30		CCEDRM
COC(=O)CN(CC#N)Cc1ccsc1C(=O)[O-]	ZINC000831164389	616588438	/nfs/dbraw/zinc/58/84/38/616588438.db2.gz	MWBKJFUPVZCVHP-UHFFFAOYSA-N	-1	0	268.294	0.945	20	30		CCEDRM
COC[C@](C)(C#N)NC(=O)[C@H](CC(F)F)NC(=O)[O-]	ZINC000833883377	616817227	/nfs/dbraw/zinc/81/72/27/616817227.db2.gz	XONNEZIKLULJGG-WKEGUHRASA-N	-1	0	279.243	0.323	20	30		CCEDRM
COC[C@@H](C)NC(=S)NN=Cc1ccc(C(=O)[O-])[nH]1	ZINC000831643534	616827450	/nfs/dbraw/zinc/82/74/50/616827450.db2.gz	MEIVDFTTXNKZDU-SSDOTTSWSA-N	-1	0	284.341	0.546	20	30		CCEDRM
COCCC(C)(C)C(=O)[N-]S(=O)(=O)CC1(C#N)CC1	ZINC000810669123	616831922	/nfs/dbraw/zinc/83/19/22/616831922.db2.gz	MBFCTAKSHMFXPK-UHFFFAOYSA-N	-1	0	288.369	0.799	20	30		CCEDRM
CNC(=O)C(C#N)=C([O-])c1cc(C)cc(C(=O)OC)c1	ZINC000838785653	616839250	/nfs/dbraw/zinc/83/92/50/616839250.db2.gz	BWZBNIHFOSVMHV-LLVKDONJSA-N	-1	0	274.276	0.850	20	30		CCEDRM
CNC(=O)C(C#N)=C([O-])c1ccc(OCC(=O)OC)cc1	ZINC000918489754	616839388	/nfs/dbraw/zinc/83/93/88/616839388.db2.gz	NHLDNIJYBLLBEB-LLVKDONJSA-N	-1	0	290.275	0.307	20	30		CCEDRM
CNC(=O)C(C#N)=C([O-])c1ccc2c(c1)CCOC2	ZINC000850765099	616839399	/nfs/dbraw/zinc/83/93/99/616839399.db2.gz	XAXCRDVPOMOBKQ-GFCCVEGCSA-N	-1	0	258.277	0.828	20	30		CCEDRM
COC[C@@H](C)[C@@H](C)C(=O)[N-]S(=O)(=O)CCCC#N	ZINC000813080237	616840863	/nfs/dbraw/zinc/84/08/63/616840863.db2.gz	DKAVROCXAONRHS-NXEZZACHSA-N	-1	0	276.358	0.655	20	30		CCEDRM
COCCCCC(=O)N1CCN(C(=O)[O-])C[C@@H]1C#N	ZINC000828944825	616857179	/nfs/dbraw/zinc/85/71/79/616857179.db2.gz	IMSGVTDVDUPYHS-JTQLQIEISA-N	-1	0	269.301	0.517	20	30		CCEDRM
COC(=O)c1ccc(C=NNc2nnc(C)c(=O)[n-]2)o1	ZINC000915944920	616891119	/nfs/dbraw/zinc/89/11/19/616891119.db2.gz	MSGPIFKUFJCOAL-UHFFFAOYSA-N	-1	0	277.240	0.711	20	30		CCEDRM
COCCCn1ccc(NC(=O)[C@](C)(C#N)CC(=O)[O-])n1	ZINC000820719316	616937597	/nfs/dbraw/zinc/93/75/97/616937597.db2.gz	UWWQZMOGNJZRJY-ZDUSSCGKSA-N	-1	0	294.311	0.863	20	30		CCEDRM
COCc1sccc1C(=O)[N-]S(=O)(=O)CCC#N	ZINC000870351557	616988018	/nfs/dbraw/zinc/98/80/18/616988018.db2.gz	RDIGRPZGRIQXRU-UHFFFAOYSA-N	-1	0	288.350	0.868	20	30		CCEDRM
COCCN(CCC(=O)[O-])C(=O)c1cc(C#N)cn1C	ZINC000831724875	616996049	/nfs/dbraw/zinc/99/60/49/616996049.db2.gz	FJYDSNKQEPTNKP-UHFFFAOYSA-N	-1	0	279.296	0.460	20	30		CCEDRM
COC[C@@](C)(C#N)NC(=O)CC[C@@H]1CCN(C(=O)[O-])C1	ZINC000833882551	617010898	/nfs/dbraw/zinc/01/08/98/617010898.db2.gz	OFIWJDNYWSBUEM-ZWNOBZJWSA-N	-1	0	283.328	0.811	20	30		CCEDRM
COC[C@@](C)(C#N)NC(=O)CO[C@@H]1CCCN(C(=O)[O-])C1	ZINC000828885889	617011002	/nfs/dbraw/zinc/01/10/02/617011002.db2.gz	PQYFSWWHWKFPEW-ZWNOBZJWSA-N	-1	0	299.327	0.190	20	30		CCEDRM
COC[C@@](C)(C#N)NC(=O)[C@@H]1CCN(C(=O)[O-])C1	ZINC000828885689	617011413	/nfs/dbraw/zinc/01/14/13/617011413.db2.gz	LPJXGRFEFJBQMG-LDYMZIIASA-N	-1	0	255.274	0.031	20	30		CCEDRM
COC[C@@](C)(C#N)NC(=O)[C@H]1CC12CCN(C(=O)[O-])CC2	ZINC000833881836	617011439	/nfs/dbraw/zinc/01/14/39/617011439.db2.gz	DNXICNBUHBBRAC-ZWNOBZJWSA-N	-1	0	295.339	0.811	20	30		CCEDRM
COC[C@H](C#N)OC(=O)C[C@@H]1CCCN1C(=O)[O-]	ZINC000833881989	617046605	/nfs/dbraw/zinc/04/66/05/617046605.db2.gz	GWCNHVYNMGEFBL-IUCAKERBSA-N	-1	0	256.258	0.601	20	30		CCEDRM
COC[C@H](C#N)OC(=O)C(C)(C)N1CCN(C(=O)[O-])CC1	ZINC000833881880	617046943	/nfs/dbraw/zinc/04/69/43/617046943.db2.gz	FJNAKXUXAXFVHG-JTQLQIEISA-N	-1	0	299.327	0.142	20	30		CCEDRM
COC[C@H](C)CC(=O)[N-]S(=O)(=O)c1cncc(C#N)c1	ZINC000813985336	617050548	/nfs/dbraw/zinc/05/05/48/617050548.db2.gz	WVYJXWPPOGRGKL-SECBINFHSA-N	-1	0	297.336	0.431	20	30		CCEDRM
CO[C@H]1CC[C@@H](C(=O)[N-]S(=O)(=O)CCC#N)C1	ZINC000851016363	617101926	/nfs/dbraw/zinc/10/19/26/617101926.db2.gz	RTOICYIYSSHUIK-BDAKNGLRSA-N	-1	0	260.315	0.161	20	30		CCEDRM
COc1cc(C(=O)/C=C/c2cn(CC(=O)[O-])nn2)on1	ZINC000821021020	617153324	/nfs/dbraw/zinc/15/33/24/617153324.db2.gz	BCKLCWIWPWLCLY-NSCUHMNNSA-N	-1	0	278.224	0.255	20	30		CCEDRM
C#CC[C@H](NC(=O)Nc1cnn(CC)c1)C(=O)[O-]	ZINC000161671839	622894463	/nfs/dbraw/zinc/89/44/63/622894463.db2.gz	XBUSSMNDWCVXIN-VIFPVBQESA-N	-1	0	250.258	0.501	20	30		CCEDRM
Cn1cc(S(=O)(=O)[N-]C(=O)c2cc(C#N)cn2C)cn1	ZINC000083763387	624806915	/nfs/dbraw/zinc/80/69/15/624806915.db2.gz	UZDVTBGAFJNHGT-UHFFFAOYSA-N	-1	0	293.308	0.324	20	30		CCEDRM
C[C@H](CC#N)NS(=O)(=O)c1cc(C(=O)[O-])n(C)c1	ZINC000050391978	624810631	/nfs/dbraw/zinc/81/06/31/624810631.db2.gz	FQPFASSJEMXEGQ-SSDOTTSWSA-N	-1	0	271.298	0.304	20	30		CCEDRM
C=CCN(CC(=O)[O-])C(=O)[C@@H]1COc2ccccc2O1	ZINC000092461732	624851010	/nfs/dbraw/zinc/85/10/10/624851010.db2.gz	SVRZSSGQCIJKKP-LBPRGKRZSA-N	-1	0	277.276	0.926	20	30		CCEDRM
C[C@]1(C#N)CN(CC(=O)[N-]OCc2ccccc2)CCO1	ZINC000933603206	624907379	/nfs/dbraw/zinc/90/73/79/624907379.db2.gz	BUCZJVRWXXCCNC-HNNXBMFYSA-N	-1	0	289.335	0.849	20	30		CCEDRM
N#CC1(CC(=O)N[C@H]2C[C@H](C(=O)[O-])C2)CCOCC1	ZINC000902658466	634425789	/nfs/dbraw/zinc/42/57/89/634425789.db2.gz	AZBYQSCGSVDEBH-MGCOHNPYSA-N	-1	0	266.297	0.676	20	30		CCEDRM
C=CCCOCCNS(=O)(=O)C1(C(=O)[O-])CCC1	ZINC000905034185	634778440	/nfs/dbraw/zinc/77/84/40/634778440.db2.gz	ANARPQANKHGIQK-UHFFFAOYSA-N	-1	0	277.342	0.506	20	30		CCEDRM
N#Cc1ccc(S(=O)(=O)[N-]C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])cc1	ZINC000048504131	631725893	/nfs/dbraw/zinc/72/58/93/631725893.db2.gz	HKCMKIZYJAAUME-NXEZZACHSA-N	-1	0	295.276	0.869	20	30		CCEDRM
CCCCS(=O)(=O)[N-]C(=O)[C@@H]1C[C@H]1[N+](=O)[O-]	ZINC000048518721	631729434	/nfs/dbraw/zinc/72/94/34/631729434.db2.gz	NSLXDDRQFFUJAN-RNFRBKRXSA-N	-1	0	250.276	0.738	20	30		CCEDRM
C=CCC[C@@H](NC(=O)CN1CCCCCC1=O)C(=O)[O-]	ZINC000263032191	632795307	/nfs/dbraw/zinc/79/53/07/632795307.db2.gz	YZXHLBMVJQKREE-LLVKDONJSA-N	-1	0	282.340	0.925	20	30		CCEDRM
C#CC[N@@H+]1CC[C@@]2(NC(=O)c3[nH]nc(C)c3[O-])CCC[C@@H]12	ZINC000990264345	633499214	/nfs/dbraw/zinc/49/92/14/633499214.db2.gz	GGWMWLPSYMYNNI-ABAIWWIYSA-N	-1	0	288.351	0.784	20	30		CCEDRM
N#Cc1cc(N2CCOC[C@@H]2C(=O)[O-])nc(C2CC2)n1	ZINC000900945320	634126289	/nfs/dbraw/zinc/12/62/89/634126289.db2.gz	JNXKEIORBGKRME-SNVBAGLBSA-N	-1	0	274.280	0.515	20	30		CCEDRM
Cc1ccc(C=NN[C@H]2CCS(=O)(=O)C2)cc1C(=O)[O-]	ZINC000901119967	634190723	/nfs/dbraw/zinc/19/07/23/634190723.db2.gz	RHNCLCLNFKADKN-NSHDSACASA-N	-1	0	296.348	0.804	20	30		CCEDRM
Cn1nc(C(=O)[O-])cc1C=NN[C@H]1CCSC1	ZINC000901238580	634213109	/nfs/dbraw/zinc/21/31/09/634213109.db2.gz	FXOBKHUPNUZECE-ZETCQYMHSA-N	-1	0	254.315	0.547	20	30		CCEDRM
Cn1cc(C(=O)[O-])cc1C=NN1CCC[C@@H]1CO	ZINC000901252133	634215334	/nfs/dbraw/zinc/21/53/34/634215334.db2.gz	ADLNLVXONITSJY-SNVBAGLBSA-N	-1	0	251.286	0.514	20	30		CCEDRM
Cn1nc(C(=O)[O-])cc1C(=O)N1CC[C@@](C)(C#N)C1	ZINC000902081094	634305969	/nfs/dbraw/zinc/30/59/69/634305969.db2.gz	RMBXOUBDOYQWJS-LBPRGKRZSA-N	-1	0	262.269	0.494	20	30		CCEDRM
Cn1ncc(C(=O)[O-])c1C(=O)N1CC[C@@](C)(C#N)C1	ZINC000902084509	634306546	/nfs/dbraw/zinc/30/65/46/634306546.db2.gz	UKEIAQRHHJDQNJ-LBPRGKRZSA-N	-1	0	262.269	0.494	20	30		CCEDRM
C[C@H](CN(C)S(=O)(=O)CC(C)(C)C#N)C(=O)[O-]	ZINC000905991149	634945474	/nfs/dbraw/zinc/94/54/74/634945474.db2.gz	ZYKTVGPLTICNPE-MRVPVSSYSA-N	-1	0	262.331	0.518	20	30		CCEDRM
CC1(C)C[C@@]1(C#N)[N-]S(=O)(=O)N=S1(=O)CCCC1	ZINC000906065740	634955283	/nfs/dbraw/zinc/95/52/83/634955283.db2.gz	FDAPHMPZSXIWGK-JTQLQIEISA-N	-1	0	291.398	0.775	20	30		CCEDRM
C#C[C@H](CCC)NC(=O)c1ccnc2c(C(=O)[O-])cnn21	ZINC000911611063	636303056	/nfs/dbraw/zinc/30/30/56/636303056.db2.gz	HJLUYBGZWVZISA-SECBINFHSA-N	-1	0	286.291	0.959	20	30		CCEDRM
C#CCOCCC(=O)[N-]S(=O)(=O)c1cccs1	ZINC000165187443	636896074	/nfs/dbraw/zinc/89/60/74/636896074.db2.gz	IHDSECDBCBRRTA-UHFFFAOYSA-N	-1	0	273.335	0.593	20	30		CCEDRM
COCCNC(=O)C(C#N)=C([O-])c1scnc1C	ZINC000172378797	637171957	/nfs/dbraw/zinc/17/19/57/637171957.db2.gz	XOOOBQVPUVYAKC-QMMMGPOBSA-N	-1	0	267.310	0.537	20	30		CCEDRM
Cc1ccc(C(=O)[N-]S(=O)(=O)c2cccnc2)c(=O)[nH]1	ZINC000062674609	637178560	/nfs/dbraw/zinc/17/85/60/637178560.db2.gz	QGYMWPUIGBTBIR-UHFFFAOYSA-N	-1	0	293.304	0.772	20	30		CCEDRM
C#CCSCCNC(=O)N(CC(=O)[O-])C(C)C	ZINC000231960221	637235542	/nfs/dbraw/zinc/23/55/42/637235542.db2.gz	PBJRDIFFTHLQTK-UHFFFAOYSA-N	-1	0	258.343	0.857	20	30		CCEDRM
Cc1nnc(NN=C2COc3cc(O)ccc32)[n-]c1=O	ZINC000915944645	637880425	/nfs/dbraw/zinc/88/04/25/637880425.db2.gz	JVRRWOJLFRWGCW-UHFFFAOYSA-N	-1	0	273.252	0.800	20	30		CCEDRM
CCCc1cc(C([O-])=C(C#N)C(=O)NCCOC)n[nH]1	ZINC000916890756	637931135	/nfs/dbraw/zinc/93/11/35/637931135.db2.gz	MAOAPLLHIKWKFL-SNVBAGLBSA-N	-1	0	278.312	0.447	20	30		CCEDRM
CC#CCCCC(=O)[N-]S(=O)(=O)CCOCC	ZINC000186296610	638892238	/nfs/dbraw/zinc/89/22/38/638892238.db2.gz	VQNDPYSHKPVLSW-UHFFFAOYSA-N	-1	0	261.343	0.663	20	30		CCEDRM
N#C[C@@]1(C(=O)NCCCCC(=O)[O-])CCCOC1	ZINC000923055683	640010077	/nfs/dbraw/zinc/01/00/77/640010077.db2.gz	FJLKNJGYBPHFDM-LBPRGKRZSA-N	-1	0	254.286	0.678	20	30		CCEDRM
N#C[C@@]1(C(=O)N[C@H]2C[C@H](C(=O)[O-])C2)CCCOC1	ZINC000923085825	640018633	/nfs/dbraw/zinc/01/86/33/640018633.db2.gz	YIVHNATTXOKFNJ-AUTRQRHGSA-N	-1	0	252.270	0.286	20	30		CCEDRM
CC#CCS(=O)(=O)[N-]C(=O)c1sc(C)nc1C	ZINC000791110549	640444066	/nfs/dbraw/zinc/44/40/66/640444066.db2.gz	FIFZWJSULUZDMH-UHFFFAOYSA-N	-1	0	272.351	0.843	20	30		CCEDRM
Cc1ccc(C(=O)[N-]S(=O)(=O)c2cc[nH]n2)cc1C#N	ZINC000799627353	640588500	/nfs/dbraw/zinc/58/85/00/640588500.db2.gz	WRKFZZRAAKSOLY-UHFFFAOYSA-N	-1	0	290.304	0.709	20	30		CCEDRM
N#CC(C(=O)N1CCCC1)=C([O-])c1cc2n(n1)CCO2	ZINC000810528876	640937041	/nfs/dbraw/zinc/93/70/41/640937041.db2.gz	XSJIPQAOEXQQBT-VIFPVBQESA-N	-1	0	274.280	0.220	20	30		CCEDRM
CC#CCS(=O)(=O)[N-]C(=O)c1noc2c1CCCC2	ZINC000810774459	640949393	/nfs/dbraw/zinc/94/93/93/640949393.db2.gz	MIVXYHAESLNTBG-UHFFFAOYSA-N	-1	0	282.321	0.636	20	30		CCEDRM
N#CCn1cc([N-]S(=O)(=O)c2cncc(C#N)c2)cn1	ZINC000811683986	640984472	/nfs/dbraw/zinc/98/44/72/640984472.db2.gz	PFRFGPCMNICJPD-UHFFFAOYSA-N	-1	0	288.292	0.474	20	30		CCEDRM
N#CCCCC(=O)[N-]S(=O)(=O)[C@H]1CCCOC1	ZINC000813083107	641021302	/nfs/dbraw/zinc/02/13/02/641021302.db2.gz	JBLKLSQVNRKKNO-VIFPVBQESA-N	-1	0	260.315	0.305	20	30		CCEDRM
N#Cc1cncc(S(=O)(=O)[N-]C(=O)Cc2ccco2)c1	ZINC000813982261	641052072	/nfs/dbraw/zinc/05/20/72/641052072.db2.gz	VVHAUZGWKMQYJB-UHFFFAOYSA-N	-1	0	291.288	0.594	20	30		CCEDRM
N#Cc1cncc(S(=O)(=O)[N-]C(=O)[C@H]2CC23CCC3)c1	ZINC000813984702	641052322	/nfs/dbraw/zinc/05/23/22/641052322.db2.gz	XIZIFKHYKUWCRK-LLVKDONJSA-N	-1	0	291.332	0.948	20	30		CCEDRM
O=c1[n-][nH]c(=O)n1N=Cc1ccc2c(c1)OCCO2	ZINC000814231298	641060888	/nfs/dbraw/zinc/06/08/88/641060888.db2.gz	BZGHTQUAEHLSTQ-UHFFFAOYSA-N	-1	0	262.225	0.343	20	30		CCEDRM
N#CCOc1ccc(C=Nn2c(=O)[n-][nH]c2=O)cc1	ZINC000814232023	641062484	/nfs/dbraw/zinc/06/24/84/641062484.db2.gz	SWTWRVPZNAIWFQ-UHFFFAOYSA-N	-1	0	259.225	0.474	20	30		CCEDRM
NS(=O)(=O)c1ccccc1N=NC1CC(C(=O)[O-])C1	ZINC000814916517	641082003	/nfs/dbraw/zinc/08/20/03/641082003.db2.gz	BIWFDNVGVDYZIG-UHFFFAOYSA-N	-1	0	283.309	0.597	20	30		CCEDRM
C[C@@H](Oc1ccc(C=NNC[C@H](C)O)cc1)C(=O)[O-]	ZINC000814962624	641086177	/nfs/dbraw/zinc/08/61/77/641086177.db2.gz	PBVQCPLOJRRPHL-VHSXEESVSA-N	-1	0	266.297	0.843	20	30		CCEDRM
CC#CCS(=O)(=O)[N-]C(=O)c1nn(C)c(C)c1Cl	ZINC000817732867	641271746	/nfs/dbraw/zinc/27/17/46/641271746.db2.gz	QBENTMIAZFORLV-UHFFFAOYSA-N	-1	0	289.744	0.465	20	30		CCEDRM
Cc1cccc2ncc(C(=O)N[C@@H]3CCN(O)C3=O)n21	ZINC000820131775	641464550	/nfs/dbraw/zinc/46/45/50/641464550.db2.gz	LLANCXJDRXWEHE-SECBINFHSA-N	-1	0	274.280	0.363	20	30		CCEDRM
C[C@H](CC(=O)[N-]S(=O)(=O)CC(C)(C)C#N)n1cccn1	ZINC000820509813	641512181	/nfs/dbraw/zinc/51/21/81/641512181.db2.gz	OLYGXKFDMFJZJJ-SNVBAGLBSA-N	-1	0	298.368	0.830	20	30		CCEDRM
Cc1cccc(C(=O)[N-]S(=O)(=O)CCC#N)c1	ZINC000821583982	641611052	/nfs/dbraw/zinc/61/10/52/641611052.db2.gz	NJJQKVNXOMEJHQ-UHFFFAOYSA-N	-1	0	252.295	0.968	20	30		CCEDRM
N#CCCS(=O)(=O)[N-]C(=O)c1cn2ccccc2n1	ZINC000821582728	641611350	/nfs/dbraw/zinc/61/13/50/641611350.db2.gz	VSNFBQAEHLULGZ-UHFFFAOYSA-N	-1	0	278.293	0.308	20	30		CCEDRM
C[C@H](CC(=O)N[C@@]1(C#N)CCSC1)NC(=O)[O-]	ZINC000824615194	641834890	/nfs/dbraw/zinc/83/48/90/641834890.db2.gz	RRXZHMXBTQRHNH-GMSGAONNSA-N	-1	0	257.315	0.548	20	30		CCEDRM
N#Cc1cccc(O[N-]C(=O)C[C@@H]2CCCS2(=O)=O)c1	ZINC000825268720	641877620	/nfs/dbraw/zinc/87/76/20/641877620.db2.gz	WLTQMZMGXVNTDA-LBPRGKRZSA-N	-1	0	294.332	0.936	20	30		CCEDRM
N#Cc1c(-c2nnn[n-]2)ncn1Cc1cc(C#N)ccc1F	ZINC000826385318	641934141	/nfs/dbraw/zinc/93/41/41/641934141.db2.gz	GWHXEFSWLSUVAR-UHFFFAOYSA-N	-1	0	294.253	0.994	20	30		CCEDRM
C[C@@H](CC(=O)[O-])C(=O)OCC(=O)N[C@@](C)(C#N)C1CC1	ZINC000827334614	641998569	/nfs/dbraw/zinc/99/85/69/641998569.db2.gz	TZVGHFVOFKFBCX-SDBXPKJASA-N	-1	0	282.296	0.449	20	30		CCEDRM
N#Cc1cccc(NC(=O)C(=O)[N-]O[C@H]2CCCCO2)n1	ZINC000832388659	642473212	/nfs/dbraw/zinc/47/32/12/642473212.db2.gz	QKTKMVPOYWGFMO-NSHDSACASA-N	-1	0	290.279	0.466	20	30		CCEDRM
N#CCN(CC(=O)[O-])CC(=O)Nc1ccccc1F	ZINC000833067183	642533495	/nfs/dbraw/zinc/53/34/95/642533495.db2.gz	QPEVPCHVOQKJJL-UHFFFAOYSA-N	-1	0	265.244	0.674	20	30		CCEDRM
CCN(C[C@@H](C)C#N)S(=O)(=O)N(CC(=O)[O-])C1CC1	ZINC000844796129	643248446	/nfs/dbraw/zinc/24/84/46/643248446.db2.gz	WZZULMICUFXNMY-VIFPVBQESA-N	-1	0	289.357	0.262	20	30		CCEDRM
C[C@H](CCNS(=O)(=O)CC1(CC#N)CC1)C(=O)[O-]	ZINC000844784541	643248465	/nfs/dbraw/zinc/24/84/65/643248465.db2.gz	GCBSOSZCEHOKCW-SECBINFHSA-N	-1	0	274.342	0.710	20	30		CCEDRM
Cc1nn(C)c(C)c1S(=O)(=O)[N-]C(=O)[C@@H](C)CC#N	ZINC000850736489	643810410	/nfs/dbraw/zinc/81/04/10/643810410.db2.gz	IFRLYBIJTXAKEF-ZETCQYMHSA-N	-1	0	284.341	0.392	20	30		CCEDRM
Cn1ncc(Cl)c1C(=O)[N-]S(=O)(=O)CCCC#N	ZINC000850925924	643822793	/nfs/dbraw/zinc/82/27/93/643822793.db2.gz	FEXHMEPAYSASKZ-UHFFFAOYSA-N	-1	0	290.732	0.437	20	30		CCEDRM
C[C@H](CC#N)C(=O)[N-]S(=O)(=O)C[C@H]1CCCOC1	ZINC000851016902	643826327	/nfs/dbraw/zinc/82/63/27/643826327.db2.gz	JRZZJKJZCSZZFS-ZJUUUORDSA-N	-1	0	274.342	0.409	20	30		CCEDRM
C[C@@H](CC#N)C(=O)[N-]S(=O)(=O)c1cccn1C	ZINC000851082913	643831064	/nfs/dbraw/zinc/83/10/64/643831064.db2.gz	MFEFTKMZCBQQOD-QMMMGPOBSA-N	-1	0	255.299	0.380	20	30		CCEDRM
C#CCCCC(=O)[N-]S(=O)(=O)c1cccnc1[N+](=O)[O-]	ZINC000851328376	643841751	/nfs/dbraw/zinc/84/17/51/643841751.db2.gz	FUIVEAOYQYHASU-UHFFFAOYSA-N	-1	0	297.292	0.598	20	30		CCEDRM
N#C[C@@]1(c2ccccn2)CCCN(Cc2n[nH]c(=O)[n-]2)C1	ZINC000852333047	643954648	/nfs/dbraw/zinc/95/46/48/643954648.db2.gz	YCXFFWMUJZSRHP-AWEZNQCLSA-N	-1	0	284.323	0.963	20	30		CCEDRM
N#Cc1ccc(S(=O)(=O)N[C@H]2CC=C(C(=O)[O-])C2)o1	ZINC000853070345	644072279	/nfs/dbraw/zinc/07/22/79/644072279.db2.gz	XIPUQYROIXRABL-QMMMGPOBSA-N	-1	0	282.277	0.603	20	30		CCEDRM
O=C([O-])CNN=C1CCN(c2ccc([N+](=O)[O-])nc2)CC1	ZINC000853351275	644101239	/nfs/dbraw/zinc/10/12/39/644101239.db2.gz	ZTEFQPMICYHVSO-UHFFFAOYSA-N	-1	0	293.283	0.620	20	30		CCEDRM
C[C@H]1C(N=NC2=NCC(=O)N2)CC[C@@H](C(=O)[O-])C1(C)C	ZINC000863177266	645066366	/nfs/dbraw/zinc/06/63/66/645066366.db2.gz	LPEWHLBIDWQOKW-YUMQZZPRSA-N	-1	0	280.328	0.575	20	30		CCEDRM
Cc1cc(C#N)ccc1S(=O)(=O)[N-]N1CCCC1=O	ZINC000867594102	645636105	/nfs/dbraw/zinc/63/61/05/645636105.db2.gz	FQRGWVUOGMDZGQ-UHFFFAOYSA-N	-1	0	279.321	0.682	20	30		CCEDRM
N#Cc1cccc(O[N-]C(=O)CN2CCCC2=O)c1	ZINC000870693474	646018642	/nfs/dbraw/zinc/01/86/42/646018642.db2.gz	IZBQDLIYZJQOFW-UHFFFAOYSA-N	-1	0	259.265	0.591	20	30		CCEDRM
N#Cc1c[n-]c(=O)n(C[C@@H]2C[C@@H]3CCC[C@@H]3O2)c1=O	ZINC000871674636	646167882	/nfs/dbraw/zinc/16/78/82/646167882.db2.gz	FQABKSVEKJHTMB-LSJOCFKGSA-N	-1	0	261.281	0.366	20	30		CCEDRM
N#CC1(CNC(=O)N2CCC[C@@H](C(=O)[O-])C2)CC1	ZINC000874401889	646452625	/nfs/dbraw/zinc/45/26/25/646452625.db2.gz	VFTCQNVKPGLKLR-SECBINFHSA-N	-1	0	251.286	0.796	20	30		CCEDRM
N#Cc1c[n-]c(=O)n(CCCOC(F)(F)F)c1=O	ZINC000882179616	647379562	/nfs/dbraw/zinc/37/95/62/647379562.db2.gz	VYZOIAOEKIYSFI-UHFFFAOYSA-N	-1	0	263.175	0.335	20	30		CCEDRM
C=CCN(CC(=O)[O-])C(=O)CCc1cnn(C)c1	ZINC000191272855	649471088	/nfs/dbraw/zinc/47/10/88/649471088.db2.gz	DXOAOUSVODZLOT-UHFFFAOYSA-N	-1	0	251.286	0.452	20	30		CCEDRM
CO[C@H](C)CC(=O)[N-]S(=O)(=O)c1cccc(C#N)c1	ZINC000195491049	649601671	/nfs/dbraw/zinc/60/16/71/649601671.db2.gz	QCTXCSHFPQENPU-SECBINFHSA-N	-1	0	282.321	0.788	20	30		CCEDRM
CCO[C@@H]1C[C@@H]1C(=O)C(C#N)=C([O-])c1nccn1C	ZINC000245913384	649658534	/nfs/dbraw/zinc/65/85/34/649658534.db2.gz	DSTBENVJVFRYEM-LPEHRKFASA-N	-1	0	261.281	0.737	20	30		CCEDRM
C=C(Br)CN1CC[C@@](O)(C(=O)[O-])C1	ZINC000706469655	790959208	/nfs/dbraw/zinc/95/92/08/790959208.db2.gz	XTBLNAIVOCOOCI-QMMMGPOBSA-N	-1	0	250.092	0.416	20	30		CCEDRM
N#CCN1CC[C@@H](Oc2nc(=O)[n-]c(Cl)c2[N+](=O)[O-])C1	ZINC001231071824	805723884	/nfs/dbraw/zinc/72/38/84/805723884.db2.gz	MJTBCRZPJPVRQW-ZCFIWIBFSA-N	-1	0	299.674	0.720	20	30		CCEDRM
COC(=O)[C@@H]1COCCN1Cc1ccc(C#N)cc1O	ZINC001233386355	806053683	/nfs/dbraw/zinc/05/36/83/806053683.db2.gz	QJVBTVHDRVPUKH-LBPRGKRZSA-N	-1	0	276.292	0.638	20	30		CCEDRM
N#Cc1ncc(N[C@@H]2CO[N-]C2=O)cc1C(F)(F)F	ZINC001167515615	791504432	/nfs/dbraw/zinc/50/44/32/791504432.db2.gz	COWDUVAITXLFQY-MRVPVSSYSA-N	-1	0	272.186	0.814	20	30		CCEDRM
C=C[C@@H](CCCCC)Oc1c([O-])c(=O)c(=O)c(=O)c1=O	ZINC001234376558	806233711	/nfs/dbraw/zinc/23/37/11/806233711.db2.gz	PUTCLOPSMDJWLB-QMMMGPOBSA-N	-1	0	280.276	0.222	20	30		CCEDRM
C=C[C@H](C)O[N-]C(=O)C(=O)Nc1nnn(C)c1C(F)F	ZINC001120994984	798980063	/nfs/dbraw/zinc/98/00/63/798980063.db2.gz	OYWMYEBQSUQTDQ-YFKPBYRVSA-N	-1	0	289.242	0.314	20	30		CCEDRM
C=CCN(c1nnc(-c2noc(=O)[nH]2)n1CC=C)C1CC1	ZINC001121579708	799058114	/nfs/dbraw/zinc/05/81/14/799058114.db2.gz	WPCLAYNFSIREKS-UHFFFAOYSA-N	-1	0	288.311	0.962	20	30		CCEDRM
CCc1nc(C)c(C([O-])=C(C#N)C(=O)NCCOC)o1	ZINC001122422027	799229727	/nfs/dbraw/zinc/22/97/27/799229727.db2.gz	VYIZNSGSLLAHJC-VIFPVBQESA-N	-1	0	279.296	0.631	20	30		CCEDRM
CCc1cccc(C([O-])=C(C#N)C(=O)NCCOC)n1	ZINC001122541377	799259391	/nfs/dbraw/zinc/25/93/91/799259391.db2.gz	QRSXMGKENJUGAD-NSHDSACASA-N	-1	0	275.308	0.729	20	30		CCEDRM
C#Cc1cncc(C(=O)NC[C@@H](C(=O)[O-])[C@H]2CCOC2)c1	ZINC001123295822	799385261	/nfs/dbraw/zinc/38/52/61/799385261.db2.gz	GPGXNMJJZOIPLW-WCQYABFASA-N	-1	0	288.303	0.530	20	30		CCEDRM
C#Cc1cncc(C(=O)NC[C@@H](C(=O)[O-])[C@@H]2CCOC2)c1	ZINC001123295820	799385527	/nfs/dbraw/zinc/38/55/27/799385527.db2.gz	GPGXNMJJZOIPLW-DGCLKSJQSA-N	-1	0	288.303	0.530	20	30		CCEDRM
C#CC[C@@H](NC(=O)c1ccn(CC(F)(F)F)n1)C(=O)[O-]	ZINC001123385780	799403738	/nfs/dbraw/zinc/40/37/38/799403738.db2.gz	VKHTYZTYYPINID-MRVPVSSYSA-N	-1	0	289.213	0.652	20	30		CCEDRM
CC(C)(C#N)CC(=O)N1CCC[C@@H](c2nnn[n-]2)C1	ZINC001137730206	799684264	/nfs/dbraw/zinc/68/42/64/799684264.db2.gz	CMRPQBSFVOQUPA-SECBINFHSA-N	-1	0	262.317	0.846	20	30		CCEDRM
N#C[C@H]1COCCN1Cc1ccc(OCC(=O)[O-])cc1	ZINC001138926636	799769575	/nfs/dbraw/zinc/76/95/75/799769575.db2.gz	MSHQVVQXSPQFKJ-LBPRGKRZSA-N	-1	0	276.292	0.874	20	30		CCEDRM
N#C[C@H]1CN(Cc2ccc(OCC(=O)[O-])cc2)CCO1	ZINC001138926877	799769599	/nfs/dbraw/zinc/76/95/99/799769599.db2.gz	SNNQSQFXNVALRE-ZDUSSCGKSA-N	-1	0	276.292	0.874	20	30		CCEDRM
C[C@@H](OCc1ccccc1)C(=O)[N-]S(=O)(=O)CCC#N	ZINC000835411908	799926967	/nfs/dbraw/zinc/92/69/67/799926967.db2.gz	QGTVPPWOZCKCNJ-LLVKDONJSA-N	-1	0	296.348	0.951	20	30		CCEDRM
N#CCCS(=O)(=O)[N-]C(=O)Cc1c(F)cccc1F	ZINC000835412184	799926998	/nfs/dbraw/zinc/92/69/98/799926998.db2.gz	YKYLHVWZPSMRSN-UHFFFAOYSA-N	-1	0	288.275	0.867	20	30		CCEDRM
N#Cc1cc(NC(=O)Cn2nccn2)c([O-])cc1F	ZINC001142193968	800094647	/nfs/dbraw/zinc/09/46/47/800094647.db2.gz	RPZZIDGZGTZPGD-UHFFFAOYSA-N	-1	0	261.216	0.633	20	30		CCEDRM
O=C([O-])CCC(=O)CNC(=O)C#Cc1ccccc1	ZINC001142862563	800168496	/nfs/dbraw/zinc/16/84/96/800168496.db2.gz	PQDJOTGIYMBOEE-UHFFFAOYSA-N	-1	0	259.261	0.588	20	30		CCEDRM
C=CCn1cc(C(=O)[N-]N2CCc3ccccc3C2=O)nn1	ZINC001152113975	800492984	/nfs/dbraw/zinc/49/29/84/800492984.db2.gz	OFYPYUNCCLITJF-UHFFFAOYSA-N	-1	0	297.318	0.807	20	30		CCEDRM
N=C(c1nonc1N)N(O)C(=O)c1c[nH]c2cccnc21	ZINC001153237119	800611837	/nfs/dbraw/zinc/61/18/37/800611837.db2.gz	MTTPFPPJBYJIQN-UHFFFAOYSA-N	-1	0	287.239	0.385	20	30		CCEDRM
N#C[C@@H]1COCCN1C(=O)c1c[n-]c2cccnc2c1=O	ZINC001153855449	800679546	/nfs/dbraw/zinc/67/95/46/800679546.db2.gz	CBRIDRTZBKHCJT-SECBINFHSA-N	-1	0	284.275	0.288	20	30		CCEDRM
C#CCCCNc1ccc(S(=O)(=O)[N-]C(C)=O)cn1	ZINC001155018163	800891786	/nfs/dbraw/zinc/89/17/86/800891786.db2.gz	SGMORIGEZCYAFY-UHFFFAOYSA-N	-1	0	281.337	0.732	20	30		CCEDRM
Cc1cnc(N[C@@H]2SC(=O)[N-]C2=O)c(/C=N/O)c1	ZINC001155843130	801064544	/nfs/dbraw/zinc/06/45/44/801064544.db2.gz	ALQWVEWPLKOZIM-UYJACEEMSA-N	-1	0	266.282	0.919	20	30		CCEDRM
COC(=O)n1ncc(C#N)c1[N-]c1nccc(OC)n1	ZINC001158966813	801729366	/nfs/dbraw/zinc/72/93/66/801729366.db2.gz	CECPXSMFNVJQML-UHFFFAOYSA-N	-1	0	274.240	0.911	20	30		CCEDRM
N#Cc1ccnc(NCC(=O)CCC(=O)[O-])c1F	ZINC001160873616	802036912	/nfs/dbraw/zinc/03/69/12/802036912.db2.gz	BEFVRMJUFWQLFC-UHFFFAOYSA-N	-1	0	251.217	0.938	20	30		CCEDRM
N#Cc1ccc2c(c1)C[C@@H](NC(=O)c1n[nH]c(=O)[n-]1)C2	ZINC001161747601	802214351	/nfs/dbraw/zinc/21/43/51/802214351.db2.gz	IMJJBHUNMVBYAT-JTQLQIEISA-N	-1	0	269.264	0.279	20	30		CCEDRM
CCOC(=O)[C@H](CS)[N-]S(=O)(=O)C(F)(F)F	ZINC001252368564	807815817	/nfs/dbraw/zinc/81/58/17/807815817.db2.gz	WKXKVLSQAXKVQW-BYPYZUCNSA-N	-1	0	281.277	0.287	20	30		CCEDRM
C=CCn1cnc2c1ncnc2[N-]S(=O)(=O)CCOC	ZINC001259966090	808828982	/nfs/dbraw/zinc/82/89/82/808828982.db2.gz	JKWPSQNSFHYUGW-UHFFFAOYSA-N	-1	0	297.340	0.400	20	30		CCEDRM
C#Cc1cnc([N-]S(=O)(=O)[C@@H](C)CC)c(C#C)n1	ZINC001260725353	808877770	/nfs/dbraw/zinc/87/77/70/808877770.db2.gz	CEPIKZJJUXMFOM-VIFPVBQESA-N	-1	0	263.322	0.979	20	30		CCEDRM
Cc1nnc(N[C@@H]2SC(=O)[N-]C2=O)c(C#N)c1C	ZINC001163662019	802585398	/nfs/dbraw/zinc/58/53/98/802585398.db2.gz	ISIDYXBFPARWCT-SECBINFHSA-N	-1	0	263.282	0.686	20	30		CCEDRM
C#CCO[N-]C(=O)C1=NN(c2ccc(OC)cc2)CC1=O	ZINC001166327477	802900155	/nfs/dbraw/zinc/90/01/55/802900155.db2.gz	GRIAEUYXJPNCIM-UHFFFAOYSA-N	-1	0	287.275	0.881	20	30		CCEDRM
C=CCOC[C@H](CS(=O)(=O)[O-])OCCC(=O)OC	ZINC001205059298	803116761	/nfs/dbraw/zinc/11/67/61/803116761.db2.gz	QXLYWPKNZWATBU-SECBINFHSA-N	-1	0	282.314	0.025	20	30		CCEDRM
CC[C@@H](C#CC(=O)OC)Oc1nc(C)[n-]c(=O)c1[N+](=O)[O-]	ZINC001229380180	814951609	/nfs/dbraw/zinc/95/16/09/814951609.db2.gz	ZIQOOEJWUNNXSL-QMMMGPOBSA-N	-1	0	295.251	0.733	20	30		CCEDRM
N#Cc1ccc(C(=O)N2CC[C@@H](c3nnn[n-]3)C2)cc1	ZINC000720620919	803770865	/nfs/dbraw/zinc/77/08/65/803770865.db2.gz	KWVMOZWAWTWVER-LLVKDONJSA-N	-1	0	268.280	0.701	20	30		CCEDRM
COc1cccc(O)c1C(=O)N1CCO[C@H](C#N)C1	ZINC000405343329	803876125	/nfs/dbraw/zinc/87/61/25/803876125.db2.gz	JLZIHBYQWMSNOQ-SECBINFHSA-N	-1	0	262.265	0.765	20	30		CCEDRM
C=CCOCCCNS(=O)(=O)[C@@H]1CCC[C@H]1C(=O)[O-]	ZINC001465106126	804075728	/nfs/dbraw/zinc/07/57/28/804075728.db2.gz	BGUHMKOJTQSGOW-GHMZBOCLSA-N	-1	0	291.369	0.752	20	30		CCEDRM
C#CCN(CC#CC)S(=O)(=O)[C@@H]1CCCC[C@H]1C(=O)[O-]	ZINC001465111312	804115061	/nfs/dbraw/zinc/11/50/61/804115061.db2.gz	VSSSVNOGFYNFLX-CHWSQXEVSA-N	-1	0	297.376	0.918	20	30		CCEDRM
CN(C)C(=O)[C@H]1CC12CN(C(=O)c1ccc(C#N)cc1[O-])C2	ZINC001276864686	804954859	/nfs/dbraw/zinc/95/48/59/804954859.db2.gz	GEQVVBWAUUWEAJ-GFCCVEGCSA-N	-1	0	299.330	0.814	20	30		CCEDRM
N#Cc1cc(F)c(=O)[n-]c1O[C@@H]1CCCOC1=O	ZINC001226009130	805185916	/nfs/dbraw/zinc/18/59/16/805185916.db2.gz	SVONTIOXVNZQFR-MRVPVSSYSA-N	-1	0	252.201	0.882	20	30		CCEDRM
O=S1(=O)CCC(Oc2nccc(/C=N/O)n2)CC1	ZINC001226254282	805210508	/nfs/dbraw/zinc/21/05/08/805210508.db2.gz	UHISEZLQEWHXFO-KPKJPENVSA-N	-1	0	271.298	0.241	20	30		CCEDRM
N#CCCN1CC(Oc2ccc(O)cc2S(=O)(=O)[O-])C1	ZINC001226412220	805228301	/nfs/dbraw/zinc/22/83/01/805228301.db2.gz	FKJNVHQMIIGGEL-UHFFFAOYSA-N	-1	0	298.320	0.616	20	30		CCEDRM
Cc1cccc(OC(=O)[C@H](O)CCC(=O)[O-])c1C#N	ZINC001226920538	805296715	/nfs/dbraw/zinc/29/67/15/805296715.db2.gz	UNXMCVCCCAFZMV-SNVBAGLBSA-N	-1	0	263.249	0.998	20	30		CCEDRM
N#Cc1ccc(O)c(OC(=O)[C@H](O)CC(=O)[O-])c1	ZINC001227345637	805342764	/nfs/dbraw/zinc/34/27/64/805342764.db2.gz	OUSIUXRQMWRJRN-MRVPVSSYSA-N	-1	0	251.194	0.005	20	30		CCEDRM
C=C(C)C(=O)OC[C@H](C)Oc1[n-]c(=O)nc2ncn(C)c21	ZINC001228677093	805468960	/nfs/dbraw/zinc/46/89/60/805468960.db2.gz	NPOCDNYTUMCQLI-QMMMGPOBSA-N	-1	0	292.295	0.956	20	30		CCEDRM
CCOC(=O)C[C@@H](CC#N)Oc1ncnc(=O)[n-]1	ZINC001229605757	805543835	/nfs/dbraw/zinc/54/38/35/805543835.db2.gz	IDRQSBRIWMMBPD-SSDOTTSWSA-N	-1	0	252.230	0.191	20	30		CCEDRM
N#Cc1cnc(C[N-]S(=O)(=O)C(F)(F)F)s1	ZINC001252391004	807819033	/nfs/dbraw/zinc/81/90/33/807819033.db2.gz	QIKJMPIJQCFURN-UHFFFAOYSA-N	-1	0	271.245	0.954	20	30		CCEDRM
C=CC[C@@](C)([N-]S(=O)(=O)CC(F)(F)F)C(=O)OC	ZINC001253260567	808040437	/nfs/dbraw/zinc/04/04/37/808040437.db2.gz	DNLBGSJIPQFSMV-MRVPVSSYSA-N	-1	0	289.275	0.976	20	30		CCEDRM
C=C[C@](C)(CCOC)C(=O)[N-]S(=O)(=O)N(CC)CC	ZINC001255453844	808377144	/nfs/dbraw/zinc/37/71/44/808377144.db2.gz	JNUFVLYXFIDXDG-GFCCVEGCSA-N	-1	0	292.401	0.918	20	30		CCEDRM
N#CCCCS(=O)(=O)[N-]C(=O)c1nc2c(s1)CCC2	ZINC000842328845	815226508	/nfs/dbraw/zinc/22/65/08/815226508.db2.gz	JUYRGUUHFIQNMR-UHFFFAOYSA-N	-1	0	299.377	0.995	20	30		CCEDRM
COC(=O)CS(=O)(=O)[N-]c1sccc1C#N	ZINC001259018111	808717908	/nfs/dbraw/zinc/71/79/08/808717908.db2.gz	UJLCAYZHMPHTJY-UHFFFAOYSA-N	-1	0	260.296	0.534	20	30		CCEDRM
COC(=O)CS(=O)(=O)[N-]C1=C(C#N)C(=O)CS1	ZINC001259019081	808719250	/nfs/dbraw/zinc/71/92/50/808719250.db2.gz	SOLDTSGQXRJWMB-UHFFFAOYSA-N	-1	0	276.295	0.240	20	30		CCEDRM
Cn1cnc(C#N)c1[N-]S(=O)(=O)c1cccc(C#N)c1	ZINC001259118559	808732758	/nfs/dbraw/zinc/73/27/58/808732758.db2.gz	LCIGVSDYWAKKGN-UHFFFAOYSA-N	-1	0	287.304	0.964	20	30		CCEDRM
N#Cc1cnc([N-]S(=O)(=O)C2CCOCC2)cn1	ZINC001259907163	808796506	/nfs/dbraw/zinc/79/65/06/808796506.db2.gz	CDCZAAUQKBCAKQ-UHFFFAOYSA-N	-1	0	268.298	0.269	20	30		CCEDRM
COCCS(=O)(=O)[N-]c1ccc(OC)cc1C#N	ZINC001259971229	808832873	/nfs/dbraw/zinc/83/28/73/808832873.db2.gz	DKFNDBPRHXGFSN-UHFFFAOYSA-N	-1	0	270.310	0.955	20	30		CCEDRM
C#CCC[N-]S(=O)(=O)c1nc2nc(Cl)ccn2n1	ZINC001260180165	808855266	/nfs/dbraw/zinc/85/52/66/808855266.db2.gz	IHDWOHAAPFKPHD-UHFFFAOYSA-N	-1	0	285.716	0.079	20	30		CCEDRM
C#Cc1cnc([N-]S(=O)(=O)[C@H](C)CC)c(C#C)n1	ZINC001260725342	808876743	/nfs/dbraw/zinc/87/67/43/808876743.db2.gz	CEPIKZJJUXMFOM-SECBINFHSA-N	-1	0	263.322	0.979	20	30		CCEDRM
Cc1nc(C#N)c([N-]S(=O)(=O)c2cn[nH]c2)o1	ZINC001260954037	808886006	/nfs/dbraw/zinc/88/60/06/808886006.db2.gz	ADPJUAWIVDGYJD-UHFFFAOYSA-N	-1	0	253.243	0.379	20	30		CCEDRM
Cc1n[nH]c(C)c1S(=O)(=O)[N-]c1cnc(C#N)cn1	ZINC001261023184	808898349	/nfs/dbraw/zinc/89/83/49/808898349.db2.gz	YRCPOVIWAXJEBP-UHFFFAOYSA-N	-1	0	278.297	0.489	20	30		CCEDRM
C[C@@H]1CCC[C@H]1CNc1[n-]c(=O)n(C)c(=O)c1C#N	ZINC001262695133	809397875	/nfs/dbraw/zinc/39/78/75/809397875.db2.gz	RKNKOSVYGFQIAB-BDAKNGLRSA-N	-1	0	262.313	0.793	20	30		CCEDRM
CC[C@@](C)(CNc1[n-]c(=O)n(C)c(=O)c1C#N)OC	ZINC001262698017	809398861	/nfs/dbraw/zinc/39/88/61/809398861.db2.gz	HLFJTQPSQXLARW-LBPRGKRZSA-N	-1	0	266.301	0.172	20	30		CCEDRM
C#C[C@@H]1CCCCN1c1nnc(-c2cc(=O)[nH][n-]2)n1CC	ZINC001263035934	809428204	/nfs/dbraw/zinc/42/82/04/809428204.db2.gz	IWWPBECEQZBVGU-SNVBAGLBSA-N	-1	0	286.339	0.514	20	30		CCEDRM
C=C(C)Cn1c(-c2nn[nH]n2)nnc1N(C)CCCF	ZINC001263287311	809503468	/nfs/dbraw/zinc/50/34/68/809503468.db2.gz	CZEYNWMYGZRJCF-UHFFFAOYSA-N	-1	0	280.311	0.830	20	30		CCEDRM
C=CCC1(C(=O)OCc2nnn[n-]2)CCOCC1	ZINC001263528601	809534312	/nfs/dbraw/zinc/53/43/12/809534312.db2.gz	HXHBCIJIUCOZFW-UHFFFAOYSA-N	-1	0	252.274	0.616	20	30		CCEDRM
C#C[C@@H](Oc1c([O-])c(=O)c(=O)c1=O)[C@@H](CC)CCCC	ZINC001225831498	813622651	/nfs/dbraw/zinc/62/26/51/813622651.db2.gz	WBSDHFNDPNNCAD-VHSXEESVSA-N	-1	0	278.304	0.945	20	30		CCEDRM
C=C(C)CCC(=O)N1CCC[C@@H]1C[NH2+]Cc1n[nH]c(=O)[n-]1	ZINC001270215435	813683368	/nfs/dbraw/zinc/68/33/68/813683368.db2.gz	HKNXMSQDNLHVFW-LLVKDONJSA-N	-1	0	293.371	0.947	20	30		CCEDRM
N#CCN1CC[C@H](Oc2n[n-]c(=O)cc2Br)C1	ZINC001226848803	814181257	/nfs/dbraw/zinc/18/12/57/814181257.db2.gz	HMFQVFUHVYPTHB-ZETCQYMHSA-N	-1	0	299.128	0.921	20	30		CCEDRM
C#C[C@@H](Oc1[n-]c(=O)nc2cc[nH]c21)C(=O)OCC	ZINC001227810081	814533350	/nfs/dbraw/zinc/53/33/50/814533350.db2.gz	SMNKHXPFCURAGE-MRVPVSSYSA-N	-1	0	261.237	0.607	20	30		CCEDRM
C=CCN1CC[C@@]2(CCCN2C(=O)c2cc(=O)[nH][n-]2)C1=O	ZINC001272282407	816250503	/nfs/dbraw/zinc/25/05/03/816250503.db2.gz	CXJGVCJUPQJKIQ-AWEZNQCLSA-N	-1	0	290.323	0.508	20	30		CCEDRM
CNC(=O)C(C#N)=C([O-])c1c(C)nn2c1nc(C)cc2C	ZINC000133568608	818685547	/nfs/dbraw/zinc/68/55/47/818685547.db2.gz	SWUXJFPVCFZMJG-SNVBAGLBSA-N	-1	0	285.307	0.723	20	30		CCEDRM
C#CCN1CC[C@@H](N(CC)C(=O)c2n[nH]c(C)c2[O-])C1	ZINC001033806956	818945114	/nfs/dbraw/zinc/94/51/14/818945114.db2.gz	QVFCDQPYLWROLV-LLVKDONJSA-N	-1	0	276.340	0.593	20	30		CCEDRM
C=C[C@H](C)O[N-]C(=O)C1(S(C)(=O)=O)CCOCC1	ZINC001118332438	820345870	/nfs/dbraw/zinc/34/58/70/820345870.db2.gz	BSNFROBAMZSOOF-VIFPVBQESA-N	-1	0	277.342	0.203	20	30		CCEDRM
C=CC[C@H](NC(=O)[C@@H](O)Cc1ccccc1)C(=O)[O-]	ZINC001119580046	821375902	/nfs/dbraw/zinc/37/59/02/821375902.db2.gz	JQJGMIPJBNUEAA-RYUDHWBXSA-N	-1	0	263.293	0.736	20	30		CCEDRM
Cc1nc[nH]c(=O)c1C(=O)N[C@@H]1CCCC[C@H]1NCC#N	ZINC001085305508	821654840	/nfs/dbraw/zinc/65/48/40/821654840.db2.gz	ZKCPLPYPLWSFCS-GHMZBOCLSA-N	-1	0	289.339	0.645	20	30		CCEDRM
Cc1n[nH]c(C(=O)NC[C@H]2C[C@@H](NCC#N)C2)c1[O-]	ZINC001086062758	822097431	/nfs/dbraw/zinc/09/74/31/822097431.db2.gz	JOWYKOKRMXPRFR-DTORHVGOSA-N	-1	0	263.301	0.045	20	30		CCEDRM
N#Cc1ncc(Cl)nc1N[C@@H]1SC(=O)[N-]C1=O	ZINC001155838003	822259689	/nfs/dbraw/zinc/25/96/89/822259689.db2.gz	VDLCIALGYOCBJN-SSDOTTSWSA-N	-1	0	269.673	0.723	20	30		CCEDRM
Cc1[nH]c2ccc(C#N)cc2c1CC(=O)NCc1nnn[n-]1	ZINC001183889003	844105891	/nfs/dbraw/zinc/10/58/91/844105891.db2.gz	BOQPAOHTNGIOCA-UHFFFAOYSA-N	-1	0	295.306	0.720	20	30		CCEDRM
COC(=O)n1ncc(C#N)c1[N-]c1nnccc1C#N	ZINC001169962532	836489845	/nfs/dbraw/zinc/48/98/45/836489845.db2.gz	RQSPFSHKBWAOGW-UHFFFAOYSA-N	-1	0	269.224	0.775	20	30		CCEDRM
CN(C(=O)c1ccn(-c2cccc(C#N)c2)n1)c1nnn[n-]1	ZINC001131170343	838012233	/nfs/dbraw/zinc/01/22/33/838012233.db2.gz	YFCWUTHNVTZFDR-UHFFFAOYSA-N	-1	0	294.278	0.534	20	30		CCEDRM
CCc1cc(=O)n2nc(NC(=O)c3ccc(C#N)o3)[n-]c2n1	ZINC001131556418	838139978	/nfs/dbraw/zinc/13/99/78/838139978.db2.gz	ZOSOYWKJEHEDIK-UHFFFAOYSA-N	-1	0	298.262	0.697	20	30		CCEDRM
N#Cc1cc([N-]S(=O)(=O)c2cnc(Cl)nc2)ccn1	ZINC001185005577	844321774	/nfs/dbraw/zinc/32/17/74/844321774.db2.gz	FQBFDJRLFUUTHN-UHFFFAOYSA-N	-1	0	295.711	0.619	20	30		CCEDRM
COc1ccc(S(=O)(=O)NC(C)(C)C#N)cc1C(=O)[O-]	ZINC001185320490	844395919	/nfs/dbraw/zinc/39/59/19/844395919.db2.gz	QPKFOPMQSFBTRY-UHFFFAOYSA-N	-1	0	298.320	0.974	20	30		CCEDRM
CC(C)C[C@@H](C#N)NC(=O)CCCn1c(=O)[n-][nH]c1=O	ZINC001136527747	839647929	/nfs/dbraw/zinc/64/79/29/839647929.db2.gz	IGGRNYBMXQDEES-VIFPVBQESA-N	-1	0	281.316	0.524	20	30		CCEDRM
C=CC[C@H](C)C(=O)NC(=N)SCCS(=O)(=O)[O-]	ZINC001144028238	839916298	/nfs/dbraw/zinc/91/62/98/839916298.db2.gz	VKSIVDAEBCACOC-ZETCQYMHSA-N	-1	0	280.371	0.871	20	30		CCEDRM
CC(C)[C@]1(C)C[C@H]1Nc1[n-]c(=O)n(C)c(=O)c1C#N	ZINC001186661705	844587989	/nfs/dbraw/zinc/58/79/89/844587989.db2.gz	IQLKCOXDIWPFCJ-RNCFNFMXSA-N	-1	0	262.313	0.792	20	30		CCEDRM
Cn1cnc(C#N)c1[N-]S(=O)(=O)c1ccco1	ZINC001186819916	844604203	/nfs/dbraw/zinc/60/42/03/844604203.db2.gz	KMWPWWHSUSRFCG-UHFFFAOYSA-N	-1	0	252.255	0.686	20	30		CCEDRM
Cn1ncc([N-]S(=O)(=O)c2ccco2)c1C#N	ZINC001186819334	844604853	/nfs/dbraw/zinc/60/48/53/844604853.db2.gz	DJGUEKLGWCBTFU-UHFFFAOYSA-N	-1	0	252.255	0.686	20	30		CCEDRM
C#CCSCCNC(=O)N1CC(F)(F)C[C@H]1C(=O)[O-]	ZINC000713522819	841139937	/nfs/dbraw/zinc/13/99/37/841139937.db2.gz	AKRLLRIJQSRYJT-QMMMGPOBSA-N	-1	0	292.307	0.857	20	30		CCEDRM
Nc1nonc1C(=N[O-])Nc1ccc2n[nH]cc2c1	ZINC001174273014	842178794	/nfs/dbraw/zinc/17/87/94/842178794.db2.gz	RACPGVAIGQKPLI-UHFFFAOYSA-N	-1	0	259.229	0.776	20	30		CCEDRM
N#CN=C(NC([O-])=Cc1c[nH]cn1)c1ccncc1	ZINC001176833332	842418184	/nfs/dbraw/zinc/41/81/84/842418184.db2.gz	ILAFBPMJFDCSTC-UHFFFAOYSA-N	-1	0	254.253	0.391	20	30		CCEDRM
N#C[C@@H](NC(=O)Cn1nn[n-]c1=S)c1ccccc1	ZINC001177736016	842661862	/nfs/dbraw/zinc/66/18/62/842661862.db2.gz	VJWQBPCRVNSKCB-SECBINFHSA-N	-1	0	274.309	0.343	20	30		CCEDRM
C=CCSCC(=O)n1[n-]c2ccnc(=O)c-2c1N	ZINC001180562251	843208794	/nfs/dbraw/zinc/20/87/94/843208794.db2.gz	NXAIDDYYFYSOKO-UHFFFAOYSA-N	-1	0	264.310	0.818	20	30		CCEDRM
Cc1coc([N-]S(=O)(=O)c2c[nH]cn2)c1C#N	ZINC001187738983	844759527	/nfs/dbraw/zinc/75/95/27/844759527.db2.gz	YMLODKWUJTZMPV-UHFFFAOYSA-N	-1	0	252.255	0.984	20	30		CCEDRM
Cn1ncc([N-]S(=O)(=O)c2ccoc2)c1C#N	ZINC001188580162	844924863	/nfs/dbraw/zinc/92/48/63/844924863.db2.gz	UEIYQYCDQNEHRQ-UHFFFAOYSA-N	-1	0	252.255	0.686	20	30		CCEDRM
COc1ccc(C#N)c(C(=O)NCC(=O)CCC(=O)[O-])c1	ZINC001189094761	845049945	/nfs/dbraw/zinc/04/99/45/845049945.db2.gz	HVZFFRYZCXJVQK-UHFFFAOYSA-N	-1	0	290.275	0.731	20	30		CCEDRM
C[C@@H](CC#N)[N-]S(=O)(=O)c1ncc(F)cc1F	ZINC001190205498	845365100	/nfs/dbraw/zinc/36/51/00/845365100.db2.gz	ULROKNGEXVGXOD-LURJTMIESA-N	-1	0	261.253	0.940	20	30		CCEDRM
C#CCNC(=O)c1nc(Br)ccc1[O-]	ZINC001191749449	845731453	/nfs/dbraw/zinc/73/14/53/845731453.db2.gz	UFKMOCOMOISAJI-UHFFFAOYSA-N	-1	0	255.071	0.913	20	30		CCEDRM
CCOC(=O)CCc1cncc([N-]S(=O)(=O)CC#N)c1	ZINC001192943986	845931435	/nfs/dbraw/zinc/93/14/35/845931435.db2.gz	XAMRAXRIQRWFHW-UHFFFAOYSA-N	-1	0	297.336	0.843	20	30		CCEDRM
N#CCS(=O)(=O)[N-]c1cnc2c(c1)COCC2	ZINC001192929327	845939454	/nfs/dbraw/zinc/93/94/54/845939454.db2.gz	UCSLIEOSQARXRW-UHFFFAOYSA-N	-1	0	253.283	0.420	20	30		CCEDRM
N#CCS(=O)(=O)[N-]c1sc2c(c1C(N)=O)CCCC2	ZINC001192935345	845942117	/nfs/dbraw/zinc/94/21/17/845942117.db2.gz	OVJCQMYBRCWCBZ-UHFFFAOYSA-N	-1	0	299.377	0.991	20	30		CCEDRM
COC(=O)c1cc([N-]S(=O)(=O)CC#N)cs1	ZINC001192938970	845942809	/nfs/dbraw/zinc/94/28/09/845942809.db2.gz	JQKPLSIKLJSVHZ-UHFFFAOYSA-N	-1	0	260.296	0.800	20	30		CCEDRM
N#CCS(=O)(=O)Nc1ccc(-n2ccc(=O)[n-]2)cc1	ZINC001192988836	845946393	/nfs/dbraw/zinc/94/63/93/845946393.db2.gz	QOUBQJPXHJOGQY-UHFFFAOYSA-N	-1	0	278.293	0.843	20	30		CCEDRM
N#CCS(=O)(=O)[N-]c1cccc2c1CNC2=O	ZINC001192972097	845957650	/nfs/dbraw/zinc/95/76/50/845957650.db2.gz	KHBFEHJURRZEBG-UHFFFAOYSA-N	-1	0	251.267	0.195	20	30		CCEDRM
COC(=O)c1cc(F)ccc1[N-]S(=O)(=O)CC#N	ZINC001192978889	845961188	/nfs/dbraw/zinc/96/11/88/845961188.db2.gz	LJKKQGYHGSZGJG-UHFFFAOYSA-N	-1	0	272.257	0.878	20	30		CCEDRM
C[C@@H](O)c1ccnc([N-]S(=O)(=O)[C@H](C)C#N)c1	ZINC001193112399	845981657	/nfs/dbraw/zinc/98/16/57/845981657.db2.gz	SRUDHGMYTGRRGH-HTQZYQBOSA-N	-1	0	255.299	0.789	20	30		CCEDRM
COC(=O)c1cc(C)cnc1[N-]S(=O)(=O)[C@@H](C)C#N	ZINC001193104932	845978957	/nfs/dbraw/zinc/97/89/57/845978957.db2.gz	OJVPKCQHQRHQKH-QMMMGPOBSA-N	-1	0	283.309	0.830	20	30		CCEDRM
Cc1cc(C)c(C(N)=O)c([N-]S(=O)(=O)[C@H](C)C#N)n1	ZINC001193105258	845979223	/nfs/dbraw/zinc/97/92/23/845979223.db2.gz	TZZWWVGTERLQES-MRVPVSSYSA-N	-1	0	282.325	0.451	20	30		CCEDRM
COc1ncnc(Cl)c1[N-]S(=O)(=O)[C@@H](C)C#N	ZINC001193104283	845979361	/nfs/dbraw/zinc/97/93/61/845979361.db2.gz	GZYFEDHKBXAZOI-YFKPBYRVSA-N	-1	0	276.705	0.792	20	30		CCEDRM
CCOC(=O)Cc1ncc([N-]S(=O)(=O)[C@H](C)C#N)cn1	ZINC001193106001	845979936	/nfs/dbraw/zinc/97/99/36/845979936.db2.gz	ALIDYBAOWJGKFX-MRVPVSSYSA-N	-1	0	298.324	0.236	20	30		CCEDRM
C[C@H](C#N)S(=O)(=O)[N-]c1cnn2ccccc12	ZINC001193112405	845980533	/nfs/dbraw/zinc/98/05/33/845980533.db2.gz	STXWQIBZQARBRD-MRVPVSSYSA-N	-1	0	250.283	0.988	20	30		CCEDRM
C[C@@H](C#N)S(=O)(=O)[N-]c1cn(CC2CC2)cn1	ZINC001193112460	845980623	/nfs/dbraw/zinc/98/06/23/845980623.db2.gz	UDCDVHNBYJJYRI-QMMMGPOBSA-N	-1	0	254.315	0.947	20	30		CCEDRM
CNC(=O)c1cccnc1[N-]S(=O)(=O)[C@H](C)C#N	ZINC001193112078	845981362	/nfs/dbraw/zinc/98/13/62/845981362.db2.gz	OGRRJDQQJUIIDG-SSDOTTSWSA-N	-1	0	268.298	0.095	20	30		CCEDRM
CSc1nc([N-]S(=O)(=O)[C@@H](C)C#N)cc(=O)n1C	ZINC001193172594	845994277	/nfs/dbraw/zinc/99/42/77/845994277.db2.gz	DROPKBROXZBZGM-LURJTMIESA-N	-1	0	288.354	0.156	20	30		CCEDRM
C=C[C@@H]1C[C@]1(NC(=O)c1cc(=O)[nH][n-]1)C(=O)OCC	ZINC001193476225	846088714	/nfs/dbraw/zinc/08/87/14/846088714.db2.gz	WHONYXPMPBANSE-JMCQJSRRSA-N	-1	0	265.269	0.353	20	30		CCEDRM
N#Cc1cc(C(=O)N[C@@H](CO)C(F)(F)F)ccc1[O-]	ZINC001193515699	846103118	/nfs/dbraw/zinc/10/31/18/846103118.db2.gz	QJUCXWXOIMNTLK-VIFPVBQESA-N	-1	0	274.198	0.917	20	30		CCEDRM
CC(C)[C@](C)(NC(=O)c1ccc([O-])c(C#N)c1)C(N)=O	ZINC001193513069	846103353	/nfs/dbraw/zinc/10/33/53/846103353.db2.gz	ZCOLFODYFMCDGA-AWEZNQCLSA-N	-1	0	275.308	0.894	20	30		CCEDRM
COc1ccnc(C(=O)Nc2nnccc2C#N)c1[O-]	ZINC001193524891	846104554	/nfs/dbraw/zinc/10/45/54/846104554.db2.gz	OREPMJJEYOGKNC-UHFFFAOYSA-N	-1	0	271.236	0.710	20	30		CCEDRM
Cn1ccnc1S(=O)(=O)[N-]c1ccc(C#N)cc1O	ZINC001193598654	846137008	/nfs/dbraw/zinc/13/70/08/846137008.db2.gz	SEYYNHCAYKKNGZ-UHFFFAOYSA-N	-1	0	278.293	0.798	20	30		CCEDRM
Cc1noc(NC(=O)c2nc(C)c(C)[nH]c2=O)c1C#N	ZINC001193956619	846186355	/nfs/dbraw/zinc/18/63/55/846186355.db2.gz	XXLJXMBYCPUPOW-UHFFFAOYSA-N	-1	0	273.252	0.807	20	30		CCEDRM
CCOC(=O)[C@H](C#N)[N-]S(=O)(=O)CC[Si](C)(C)C	ZINC001195090764	846457279	/nfs/dbraw/zinc/45/72/79/846457279.db2.gz	DZTVNAPDRRGKOC-VIFPVBQESA-N	-1	0	292.433	0.699	20	30		CCEDRM
C#C[C@H](C)NS(=O)(=O)c1cc(C(=O)[O-])c(F)cc1F	ZINC001195257808	846487320	/nfs/dbraw/zinc/48/73/20/846487320.db2.gz	JAINXBQXBXZQQB-LURJTMIESA-N	-1	0	289.259	0.963	20	30		CCEDRM
Cc1cc(C#N)cc(C(=O)NCc2n[nH]c(=O)[n-]2)c1	ZINC001195428858	846539111	/nfs/dbraw/zinc/53/91/11/846539111.db2.gz	CXIJHXDWILTHHY-UHFFFAOYSA-N	-1	0	257.253	0.620	20	30		CCEDRM
COc1ccc(S(=O)(=O)[N-]c2oncc2C#N)cn1	ZINC001195684174	846597264	/nfs/dbraw/zinc/59/72/64/846597264.db2.gz	CGABUHGDNJVFKE-UHFFFAOYSA-N	-1	0	280.265	0.751	20	30		CCEDRM
N#Cc1ccc(C(=O)NCCc2cc[nH]n2)c([O-])c1	ZINC001195764029	846613408	/nfs/dbraw/zinc/61/34/08/846613408.db2.gz	FXNDEGQQWUYCHH-UHFFFAOYSA-N	-1	0	256.265	0.959	20	30		CCEDRM
CN(C)C(=O)CN(C)C(=O)c1ccc(C#N)cc1[O-]	ZINC001195741242	846619339	/nfs/dbraw/zinc/61/93/39/846619339.db2.gz	KMKWFRYOOHAQJQ-UHFFFAOYSA-N	-1	0	261.281	0.424	20	30		CCEDRM
CCc1cc(C(=O)N[C@@H]2CO[N-]C2=O)ccc1C#N	ZINC001197292111	846894201	/nfs/dbraw/zinc/89/42/01/846894201.db2.gz	LKKCNKUWQMXVKV-LLVKDONJSA-N	-1	0	259.265	0.280	20	30		CCEDRM
N#CC1(NS(=O)(=O)c2ccccc2C(=O)[O-])CC1	ZINC001198792544	847170668	/nfs/dbraw/zinc/17/06/68/847170668.db2.gz	OSBHKYGCKWWMAF-UHFFFAOYSA-N	-1	0	266.278	0.719	20	30		CCEDRM
N#Cc1cnc(C[N-]S(=O)(=O)CC(F)(F)F)s1	ZINC001253234649	848163698	/nfs/dbraw/zinc/16/36/98/848163698.db2.gz	AXAKRTZCJIOQCI-UHFFFAOYSA-N	-1	0	285.272	0.996	20	30		CCEDRM
C=CCNC(=O)Nc1ccc(S(=O)(=O)[N-]C(N)=O)cc1	ZINC001202571569	848180535	/nfs/dbraw/zinc/18/05/35/848180535.db2.gz	MWFCCRBSMUBXLK-UHFFFAOYSA-N	-1	0	298.324	0.351	20	30		CCEDRM
C#CC[N@H+](C)CCCNC(=O)NC1(C(=O)[O-])CCC1	ZINC000380830848	849693146	/nfs/dbraw/zinc/69/31/46/849693146.db2.gz	JRHMXOJKTQSDQI-UHFFFAOYSA-N	-1	0	267.329	0.248	20	30		CCEDRM
N#CCN1CCC(N=c2ccc(OC(F)F)n[n-]2)CC1	ZINC000380927449	849695863	/nfs/dbraw/zinc/69/58/63/849695863.db2.gz	NDXMOOXUQWTEPU-UHFFFAOYSA-N	-1	0	283.282	0.900	20	30		CCEDRM
C=CCN1CC[C@@H]1CNC(=O)c1ccc2oc(=O)nc-2[n-]1	ZINC001038921141	850083766	/nfs/dbraw/zinc/08/37/66/850083766.db2.gz	KSBFJVGOUFPHMI-SECBINFHSA-N	-1	0	288.307	0.919	20	30		CCEDRM
C#CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)c1n[nH]c(C)c1[O-]	ZINC001039360672	850178782	/nfs/dbraw/zinc/17/87/82/850178782.db2.gz	RINIFAMCCCCCEI-NEPJUHHUSA-N	-1	0	288.351	0.736	20	30		CCEDRM
CC[C@H](C)S(=O)(=O)[N-]c1c(C#N)cnn1C(=O)OC	ZINC001260750481	852414768	/nfs/dbraw/zinc/41/47/68/852414768.db2.gz	LNPFUKUSSBLAAB-ZETCQYMHSA-N	-1	0	286.313	0.909	20	30		CCEDRM
C=CCOc1ccccc1C(=O)N1CC[C@](O)(C(=O)[O-])C1	ZINC000386660367	853947317	/nfs/dbraw/zinc/94/73/17/853947317.db2.gz	SLMLYGKPWOVMLK-OAHLLOKOSA-N	-1	0	291.303	0.913	20	30		CCEDRM
C#CC[C@H](NC(=O)c1ccc(CNC(C)=O)cc1)C(=O)[O-]	ZINC000149897561	854007583	/nfs/dbraw/zinc/00/75/83/854007583.db2.gz	XDGYFJRURFHJJD-ZDUSSCGKSA-N	-1	0	288.303	0.529	20	30		CCEDRM
C#CC[C@@H](NC(=O)[C@@H]1COc2ccccc2O1)C(=O)[O-]	ZINC000149933291	854008738	/nfs/dbraw/zinc/00/87/38/854008738.db2.gz	ABRJJMQZGGFYMC-SKDRFNHKSA-N	-1	0	275.260	0.419	20	30		CCEDRM
C#CC[C@@H](NC(=O)[C@H]1CCCN(C(=O)C2CC2)C1)C(=O)[O-]	ZINC000149964642	854010194	/nfs/dbraw/zinc/01/01/94/854010194.db2.gz	GMTBOBPXROQPRA-NWDGAFQWSA-N	-1	0	292.335	0.228	20	30		CCEDRM
C=CCOCCCNC(=O)C(=O)[N-]OCC(C)C	ZINC001118670921	856389218	/nfs/dbraw/zinc/38/92/18/856389218.db2.gz	MBMCTEDFHPHAFU-UHFFFAOYSA-N	-1	0	258.318	0.399	20	30		CCEDRM
C=CC[C@H](NC(=O)[C@@H]1CCc2n[nH]cc2C1)C(=O)[O-]	ZINC001119581126	856752384	/nfs/dbraw/zinc/75/23/84/856752384.db2.gz	WZBMMDXTJOHSJS-KCJUWKMLSA-N	-1	0	263.297	0.660	20	30		CCEDRM
C#CCO[C@H](C)C(=O)NCc1c(C)nn(CC(=O)[O-])c1C	ZINC001119580566	856753142	/nfs/dbraw/zinc/75/31/42/856753142.db2.gz	OAMWTABHLNVTKY-LLVKDONJSA-N	-1	0	293.323	0.239	20	30		CCEDRM
C=CC[C@H](NC(=O)[C@@H]1CCO[C@H]1C1CC1)C(=O)[O-]	ZINC001119581208	856755120	/nfs/dbraw/zinc/75/51/20/856755120.db2.gz	ZAUIPTOIZRAZNG-VWYCJHECSA-N	-1	0	253.298	0.947	20	30		CCEDRM
N#CCCCC(=O)[N-]S(=O)(=O)C[C@H]1CCOC1	ZINC001326030371	913707737	/nfs/dbraw/zinc/70/77/37/913707737.db2.gz	AGYULCSTHQWEQH-VIFPVBQESA-N	-1	0	260.315	0.163	20	30		CCEDRM
CSC[C@@](C)(O)CNC(=O)c1[n-]c(=O)c(C#N)cc1C	ZINC001361922492	893483161	/nfs/dbraw/zinc/48/31/61/893483161.db2.gz	AAJWOOFCTYUPHI-ZDUSSCGKSA-N	-1	0	295.364	0.811	20	30		CCEDRM
Cc1nnc(CNC(=O)c2[n-]c(=O)c(C#N)cc2C)o1	ZINC001361937778	893486661	/nfs/dbraw/zinc/48/66/61/893486661.db2.gz	KFFLDPVBBMYYOZ-UHFFFAOYSA-N	-1	0	273.252	0.589	20	30		CCEDRM
CCCC[C@@H](CNCC#N)NC(=O)c1[nH]nc(C)c1[O-]	ZINC001485463526	897062993	/nfs/dbraw/zinc/06/29/93/897062993.db2.gz	MOYFQQRXRJNVNY-JTQLQIEISA-N	-1	0	279.344	0.826	20	30		CCEDRM
COC(=O)c1scnc1[N-]S(=O)(=O)[C@@H](C)C#N	ZINC001193106923	900031414	/nfs/dbraw/zinc/03/14/14/900031414.db2.gz	LJPMBHIAAPTUBD-YFKPBYRVSA-N	-1	0	275.311	0.583	20	30		CCEDRM
CC(C)n1ncc(C#N)c1[N-]S(=O)(=O)[C@@H](C)C#N	ZINC001193106669	900031884	/nfs/dbraw/zinc/03/18/84/900031884.db2.gz	IVLZCTLHVWWIDW-QMMMGPOBSA-N	-1	0	267.314	0.989	20	30		CCEDRM
Cc1c(C#N)cccc1C(=O)[N-]S(=O)(=O)N(C)C	ZINC001327170618	914405368	/nfs/dbraw/zinc/40/53/68/914405368.db2.gz	CWLDQFSDEPEYJA-UHFFFAOYSA-N	-1	0	267.310	0.403	20	30		CCEDRM
C=CC[C@H](NC(=O)Cn1cc(C2CC2)cn1)C(=O)[O-]	ZINC001327457051	914551376	/nfs/dbraw/zinc/55/13/76/914551376.db2.gz	FUXTVNZJSPDBAA-NSHDSACASA-N	-1	0	263.297	0.906	20	30		CCEDRM
C[C@@H](CC(=O)NCCn1cc(C#N)c(=O)[n-]c1=O)C1CC1	ZINC001412374872	901668102	/nfs/dbraw/zinc/66/81/02/901668102.db2.gz	RUAZIOFLIQBWCE-VIFPVBQESA-N	-1	0	290.323	0.373	20	30		CCEDRM
N#Cc1nc(NC(=O)c2csc(CO)n2)[n-]c1C#N	ZINC001413191814	902770660	/nfs/dbraw/zinc/77/06/60/902770660.db2.gz	GRZKJJVVBSVHDB-UHFFFAOYSA-N	-1	0	274.265	0.354	20	30		CCEDRM
Cc1cc(C#N)c(=O)[n-]c1C(=O)N1C[C@@H]2C[C@H]1C[S@]2=O	ZINC001413228015	902802000	/nfs/dbraw/zinc/80/20/00/902802000.db2.gz	YYKFPMOPAKHULZ-QDDONVENSA-N	-1	0	291.332	0.313	20	30		CCEDRM
CCN([C@@H](C)C#N)S(=O)(=O)c1cc(C(=O)OC)[nH]n1	ZINC001413405872	902928735	/nfs/dbraw/zinc/92/87/35/902928735.db2.gz	WWKFIBJPTZURFO-ZETCQYMHSA-N	-1	0	286.313	0.119	20	30		CCEDRM
Cc1nnc([S-])n(N=Cc2cnn(C(C)C)c2)c1=O	ZINC001327920297	914866032	/nfs/dbraw/zinc/86/60/32/914866032.db2.gz	KKYNPQXHDJUHJR-UHFFFAOYSA-N	-1	0	278.341	0.895	20	30		CCEDRM
C=C1CCC(CNC(=O)C(=O)[N-]OCCOCC)CC1	ZINC001333262916	905897674	/nfs/dbraw/zinc/89/76/74/905897674.db2.gz	YECHPJNTEFEQPS-UHFFFAOYSA-N	-1	0	284.356	0.933	20	30		CCEDRM
C[C@](C#N)(NC(=O)c1n[nH]c(=O)[n-]c1=O)C1CCCCC1	ZINC001293610821	906496987	/nfs/dbraw/zinc/49/69/87/906496987.db2.gz	UUTOVNBFIINPKF-CYBMUJFWSA-N	-1	0	291.311	0.875	20	30		CCEDRM
C=CC[C@H]1CCN1C(=O)CNC(=O)c1ncccc1O	ZINC001304672437	908177634	/nfs/dbraw/zinc/17/76/34/908177634.db2.gz	UQINVUFIKYUVRB-JTQLQIEISA-N	-1	0	275.308	0.694	20	30		CCEDRM
N#Cc1cn(CC(=O)Nc2ccccc2F)c(=O)[n-]c1=O	ZINC001417597926	921437653	/nfs/dbraw/zinc/43/76/53/921437653.db2.gz	SZJNGACYBCTMNW-UHFFFAOYSA-N	-1	0	288.238	0.598	20	30		CCEDRM
C=C(CCC(=O)[O-])C(=O)N[C@]1(C)CCS(=O)(=O)C1	ZINC001588622104	983721720	/nfs/dbraw/zinc/72/17/20/983721720.db2.gz	OSZVCSWYSMOWTL-LLVKDONJSA-N	-1	0	275.326	0.101	20	30		CCEDRM
C=CC[C@@H](NC(=O)CCOC1CCOCC1)C(=O)[O-]	ZINC001321166145	911130794	/nfs/dbraw/zinc/13/07/94/911130794.db2.gz	AGUXQTXKJIOHRR-LLVKDONJSA-N	-1	0	271.313	0.718	20	30		CCEDRM
C#CC1CCN(c2nnc(-c3cc(=O)[nH][n-]3)n2CC=C)CC1	ZINC001339054725	921639211	/nfs/dbraw/zinc/63/92/11/921639211.db2.gz	KBFYKQKWBQNFFT-UHFFFAOYSA-N	-1	0	298.350	0.538	20	30		CCEDRM
Cc1ccncc1C=Nn1c(=O)c(C)n[n-]c1=S	ZINC001321539939	911360482	/nfs/dbraw/zinc/36/04/82/911360482.db2.gz	GOBRRCURXVYCAS-UHFFFAOYSA-N	-1	0	261.310	0.821	20	30		CCEDRM
C#CCOCCC(=O)[N-]S(=O)(=O)c1ccc(C)nc1	ZINC001321863617	911537398	/nfs/dbraw/zinc/53/73/98/911537398.db2.gz	UHYIQPUNNNSELM-UHFFFAOYSA-N	-1	0	282.321	0.235	20	30		CCEDRM
C=C(C)CO[N-]C(=O)C(=O)Nc1cc(CCOC)nn1C	ZINC001328726535	915388372	/nfs/dbraw/zinc/38/83/72/915388372.db2.gz	JGPJGJZIGZMOKP-UHFFFAOYSA-N	-1	0	296.327	0.171	20	30		CCEDRM
N#CCCCCS(=O)(=O)NCc1nocc1C(=O)[O-]	ZINC001329157416	915716274	/nfs/dbraw/zinc/71/62/74/915716274.db2.gz	IKXIZPQQCITLAB-UHFFFAOYSA-N	-1	0	287.297	0.486	20	30		CCEDRM
C=CC[C@H](NC(=O)[C@H](OCC)[C@@H]1CCOC1)C(=O)[O-]	ZINC001329655129	916104345	/nfs/dbraw/zinc/10/43/45/916104345.db2.gz	CHFOANQIGBHREI-OUAUKWLOSA-N	-1	0	271.313	0.574	20	30		CCEDRM
C=C[C@@H](C)O[N-]C(=O)c1cn(C)c2c(cnn2C)c1=O	ZINC001329746224	916160212	/nfs/dbraw/zinc/16/02/12/916160212.db2.gz	PKSUVLAWULDYTM-MRVPVSSYSA-N	-1	0	276.296	0.508	20	30		CCEDRM
C#CCSCC(=O)[N-]S(=O)(=O)C1(C(F)F)CC1	ZINC001331509283	917381479	/nfs/dbraw/zinc/38/14/79/917381479.db2.gz	YOFVTZSWFBCMDL-UHFFFAOYSA-N	-1	0	283.321	0.597	20	30		CCEDRM
C#CCCCC(=O)[N-]S(=O)(=O)c1cnc(Cl)n1C	ZINC001331936341	917731581	/nfs/dbraw/zinc/73/15/81/917731581.db2.gz	ZRRQELYIXCXWCY-UHFFFAOYSA-N	-1	0	289.744	0.682	20	30		CCEDRM
C=CC[C@@H](NC(=O)NCCOC[C@@H]1CCOC1)C(=O)[O-]	ZINC001332131921	917887951	/nfs/dbraw/zinc/88/79/51/917887951.db2.gz	OZOVEWHWBWRVGM-GHMZBOCLSA-N	-1	0	286.328	0.368	20	30		CCEDRM
C=CC[C@H](NC(=O)[C@H](C)Cc1cnn(C)c1)C(=O)[O-]	ZINC001332136844	917895389	/nfs/dbraw/zinc/89/53/89/917895389.db2.gz	RMNRSQIMOHEMMW-KOLCDFICSA-N	-1	0	265.313	0.744	20	30		CCEDRM
C=CC[C@@H](NC(=O)c1ccnc(OC)c1)C(=O)[O-]	ZINC001332171336	917932332	/nfs/dbraw/zinc/93/23/32/917932332.db2.gz	AJUQVOWTNINNRK-SECBINFHSA-N	-1	0	250.254	0.849	20	30		CCEDRM
C=C1CCC(CNC(=O)C(=O)[N-]OCCOC)CC1	ZINC001333304529	918790860	/nfs/dbraw/zinc/79/08/60/918790860.db2.gz	OLCBFEIOYKHKMU-UHFFFAOYSA-N	-1	0	270.329	0.543	20	30		CCEDRM
CC#CCS(=O)(=O)[N-]C(=O)CCc1ccc(OC)nc1	ZINC001334259368	919464012	/nfs/dbraw/zinc/46/40/12/919464012.db2.gz	CVTPTGZVEOIHJI-UHFFFAOYSA-N	-1	0	296.348	0.492	20	30		CCEDRM
COC(=O)COCC(=O)Nc1cc(C#N)ccc1[O-]	ZINC001334341195	919508934	/nfs/dbraw/zinc/50/89/34/919508934.db2.gz	XNSGWUZUDIFFSV-UHFFFAOYSA-N	-1	0	264.237	0.392	20	30		CCEDRM
C=C(C)C[C@@H](NCc1nnn(C(C)(C)C)n1)C(=O)[O-]	ZINC001334776675	919760482	/nfs/dbraw/zinc/76/04/82/919760482.db2.gz	IVVNAHBAGAYVEJ-SECBINFHSA-N	-1	0	267.333	0.937	20	30		CCEDRM
C=CC[C@H](NC(=O)[C@@H]1CSCCS1)C(=O)[O-]	ZINC001334980375	919881147	/nfs/dbraw/zinc/88/11/47/919881147.db2.gz	HEHIOJOLQSPTAJ-YUMQZZPRSA-N	-1	0	261.368	0.981	20	30		CCEDRM
C#CC[C@@H](NC(=O)c1cccc(C[S@](C)=O)c1)C(=O)[O-]	ZINC001334998504	919888909	/nfs/dbraw/zinc/88/89/09/919888909.db2.gz	RMUURWBBCOKTTM-ODXCJYRJSA-N	-1	0	293.344	0.771	20	30		CCEDRM
C#CCN1CCC[C@H]1C(=O)N[C@H]1C[C@H]2C[C@@H](C(=O)[O-])C[C@H]21	ZINC001336392508	920751458	/nfs/dbraw/zinc/75/14/58/920751458.db2.gz	IRPJTPCMUYEBJS-POQQGIQPSA-N	-1	0	290.363	0.700	20	30		CCEDRM
CCC(CC)N(CC)c1[n-]c(=O)n(C)c(=O)c1C#N	ZINC001336634097	920889631	/nfs/dbraw/zinc/88/96/31/920889631.db2.gz	PJQGDYBFUAJJOG-UHFFFAOYSA-N	-1	0	264.329	0.960	20	30		CCEDRM
C[C@@H]1SCC[C@H]1Nc1[n-]c(=O)n(C)c(=O)c1C#N	ZINC001336664451	920915169	/nfs/dbraw/zinc/91/51/69/920915169.db2.gz	HIUZBMVKJPXJGO-POYBYMJQSA-N	-1	0	266.326	0.251	20	30		CCEDRM
C[C@@H](CC1CCC1)Nc1[n-]c(=O)n(C)c(=O)c1C#N	ZINC001336705607	920939002	/nfs/dbraw/zinc/93/90/02/920939002.db2.gz	LRNVYHGIXBGDBZ-QMMMGPOBSA-N	-1	0	262.313	0.936	20	30		CCEDRM
N#Cc1nc(NC(=O)C[C@H]2C=CS(=O)(=O)C2)[n-]c1C#N	ZINC001418234112	921947792	/nfs/dbraw/zinc/94/77/92/921947792.db2.gz	DDYNUYJKWJHZMW-SSDOTTSWSA-N	-1	0	291.292	0.040	20	30		CCEDRM
Cc1noc(CN(C)C(=O)c2[n-]c(=O)c(C#N)cc2C)n1	ZINC001418277779	921984448	/nfs/dbraw/zinc/98/44/48/921984448.db2.gz	BNIZOIKZBJRMGG-UHFFFAOYSA-N	-1	0	287.279	0.931	20	30		CCEDRM
O=C([O-])Cn1cc(C=NNCc2ccc(F)cc2)nn1	ZINC001340608324	922137854	/nfs/dbraw/zinc/13/78/54/922137854.db2.gz	OASARLOKELKZHO-UHFFFAOYSA-N	-1	0	277.259	0.626	20	30		CCEDRM
C#C[C@H](C)N(C)c1nnc(-c2nn[nH]n2)n1CC(=C)C	ZINC001341751240	922654765	/nfs/dbraw/zinc/65/47/65/922654765.db2.gz	YXKKHMYDTDXHPO-VIFPVBQESA-N	-1	0	272.316	0.492	20	30		CCEDRM
C=CCNC(=O)C(C#N)=C([O-])c1cnn(C(F)F)c1	ZINC001341851637	922696262	/nfs/dbraw/zinc/69/62/62/922696262.db2.gz	ZSONTOCHHHYHJK-QMMMGPOBSA-N	-1	0	268.223	0.903	20	30		CCEDRM
N#CC(C(=O)NC1CC1)=C([O-])c1cn2c(n1)CCCC2	ZINC001342598843	923019459	/nfs/dbraw/zinc/01/94/59/923019459.db2.gz	WIIVSRAOVNAKOI-SNVBAGLBSA-N	-1	0	272.308	0.820	20	30		CCEDRM
CNC(=O)C(C#N)=C([O-])c1c2ccccc2nn1C	ZINC001343463834	923328013	/nfs/dbraw/zinc/32/80/13/923328013.db2.gz	RJJYKQJABVPMKO-VIFPVBQESA-N	-1	0	256.265	0.642	20	30		CCEDRM
CNC(=O)C(C#N)=C([O-])c1ccn(CC(F)F)n1	ZINC001343472061	923335662	/nfs/dbraw/zinc/33/56/62/923335662.db2.gz	ZPOWWCZELMHWKO-ZCFIWIBFSA-N	-1	0	256.212	0.217	20	30		CCEDRM
Cc1cc(C#N)c(=O)[n-]c1C(=O)N[C@@H](CO)c1ncc[nH]1	ZINC001420221960	923429752	/nfs/dbraw/zinc/42/97/52/923429752.db2.gz	ZFYUPUVAFGVXIC-VIFPVBQESA-N	-1	0	287.279	0.154	20	30		CCEDRM
Cc1nn(C)c2ncc(C([O-])=C(C#N)C(=O)NC3CC3)cc12	ZINC001344541515	923632201	/nfs/dbraw/zinc/63/22/01/923632201.db2.gz	MPCRWDKQHOYLCW-GFCCVEGCSA-N	-1	0	297.318	0.878	20	30		CCEDRM
C#CCN1CCC[C@H]1C(=O)N[C@@H]1CCC[C@H]1CC(=O)[O-]	ZINC001344582996	923646927	/nfs/dbraw/zinc/64/69/27/923646927.db2.gz	OUBKWWDLVHDTBK-XQQFMLRXSA-N	-1	0	278.352	0.844	20	30		CCEDRM
C=CCOCCCC(=O)NC[C@@H](C(=O)[O-])[C@H]1CCOC1	ZINC001345168849	923817768	/nfs/dbraw/zinc/81/77/68/923817768.db2.gz	FKDAOKPMEJOMLX-NWDGAFQWSA-N	-1	0	285.340	0.823	20	30		CCEDRM
C#CC[C@@H](NC(=O)c1cc(C(F)(F)F)n(C)n1)C(=O)[O-]	ZINC001345781031	923977243	/nfs/dbraw/zinc/97/72/43/923977243.db2.gz	KSNPPXIOWZRFBL-ZCFIWIBFSA-N	-1	0	289.213	0.645	20	30		CCEDRM
COCCn1cc(C([O-])=C(C#N)C(=O)NC(C)C)cn1	ZINC001346121471	924075832	/nfs/dbraw/zinc/07/58/32/924075832.db2.gz	BIRKXBLJOLDEJF-LLVKDONJSA-N	-1	0	278.312	0.377	20	30		CCEDRM
C=CC[C@@H](NC(=O)Cc1cn2c(n1)CCCC2)C(=O)[O-]	ZINC001346207560	924108673	/nfs/dbraw/zinc/10/86/73/924108673.db2.gz	KMIFIMKSXHTWOP-LLVKDONJSA-N	-1	0	277.324	0.907	20	30		CCEDRM
Cn1c(=O)[n-]c(NC[C@]2(C)CCCC[C@H]2O)c(C#N)c1=O	ZINC001421074877	924136497	/nfs/dbraw/zinc/13/64/97/924136497.db2.gz	ALLVIUQQJXLFLJ-YGRLFVJLSA-N	-1	0	292.339	0.298	20	30		CCEDRM
C#CC[C@@H](NC(=O)[C@@H]1Cc2cccnc2C1)C(=O)[O-]	ZINC001346312366	924154700	/nfs/dbraw/zinc/15/47/00/924154700.db2.gz	OTMKOWBTZMXKJG-GHMZBOCLSA-N	-1	0	258.277	0.389	20	30		CCEDRM
C=C[C@@H](O)C(=O)N1[C@H](C(=O)[O-])C[C@@H]2CCCC[C@@H]21	ZINC001346394748	924187470	/nfs/dbraw/zinc/18/74/70/924187470.db2.gz	CLFWHLIQLRHAPL-XWLWVQCSSA-N	-1	0	253.298	0.778	20	30		CCEDRM
N#CCCCS(=O)(=O)NCc1nocc1C(=O)[O-]	ZINC001346542157	924257960	/nfs/dbraw/zinc/25/79/60/924257960.db2.gz	XLQDCLWREGBUFR-UHFFFAOYSA-N	-1	0	273.270	0.096	20	30		CCEDRM
C=CCN(C(=O)C(=O)N[C@H]1C[C@H](C(=O)[O-])C1)[C@@H](C)COC	ZINC001349970238	925107721	/nfs/dbraw/zinc/10/77/21/925107721.db2.gz	IDHZSOSHUBODDP-DCAQKATOSA-N	-1	0	298.339	0.015	20	30		CCEDRM
C#C[C@@H]1CCCCN1c1nnc(-c2cc(=O)n(C)[n-]2)n1C	ZINC001350983467	925327951	/nfs/dbraw/zinc/32/79/51/925327951.db2.gz	FWCXUEJMOLLMOR-SNVBAGLBSA-N	-1	0	286.339	0.913	20	30		CCEDRM
N#CCCCS(=O)(=O)[N-]C(=O)c1ocnc1C(F)F	ZINC001351511720	925429562	/nfs/dbraw/zinc/42/95/62/925429562.db2.gz	UQGHAWHEQFFTCE-UHFFFAOYSA-N	-1	0	293.251	0.976	20	30		CCEDRM
COCCC1(C(=O)Nc2nc(C#N)c(C#N)[n-]2)CC1	ZINC001300044362	925593610	/nfs/dbraw/zinc/59/36/10/925593610.db2.gz	GAFMYHXFYIXJMK-UHFFFAOYSA-N	-1	0	259.269	0.908	20	30		CCEDRM
C#CCCCNC(=O)C(=O)N1C[C@@H](C(=O)[O-])[C@H](C2CC2)C1	ZINC001353134950	925737408	/nfs/dbraw/zinc/73/74/08/925737408.db2.gz	QCEYMHLTQIXRAZ-NWDGAFQWSA-N	-1	0	292.335	0.085	20	30		CCEDRM
N#CC1(CNC(=O)N2CC[C@H](C(=O)[O-])C2)CCC1	ZINC001353155774	925743830	/nfs/dbraw/zinc/74/38/30/925743830.db2.gz	MIODZCIMJBYUGE-VIFPVBQESA-N	-1	0	251.286	0.796	20	30		CCEDRM
C=CCOCC(=O)[N-]S(=O)(=O)c1cnc(Cl)n1C	ZINC001353533471	925863471	/nfs/dbraw/zinc/86/34/71/925863471.db2.gz	KUFIQJFMVXHHEI-UHFFFAOYSA-N	-1	0	293.732	0.081	20	30		CCEDRM
COC(=O)[C@H]1CCN1C(=O)c1[n-]c(=O)c(C#N)cc1C	ZINC001472088881	925959898	/nfs/dbraw/zinc/95/98/98/925959898.db2.gz	ZUDNMSPYWHHCMX-SECBINFHSA-N	-1	0	275.264	0.355	20	30		CCEDRM
C=CC[C@H](NC(=O)c1c(C)nn(C)c1OC)C(=O)[O-]	ZINC001354046940	925995742	/nfs/dbraw/zinc/99/57/42/925995742.db2.gz	GXGGATOQWISNRO-QMMMGPOBSA-N	-1	0	267.285	0.496	20	30		CCEDRM
C=CCC1(O)CCN(C(=O)CCc2nnn[n-]2)CC1	ZINC001354193037	926037272	/nfs/dbraw/zinc/03/72/72/926037272.db2.gz	CDICIOHIIDWBDS-UHFFFAOYSA-N	-1	0	265.317	0.062	20	30		CCEDRM
N#CC[C@H]1CCCN(C(=O)c2n[nH]c(=O)[n-]c2=O)C1	ZINC001300688431	926151105	/nfs/dbraw/zinc/15/11/05/926151105.db2.gz	BHHQINMGCYLNPY-SSDOTTSWSA-N	-1	0	263.257	0.049	20	30		CCEDRM
N#CC(C(=O)N1CCCC1)=C([O-])c1cn2c(n1)COCC2	ZINC001356130120	926345582	/nfs/dbraw/zinc/34/55/82/926345582.db2.gz	AFZDXLHKUQOLFN-SNVBAGLBSA-N	-1	0	288.307	0.358	20	30		CCEDRM
C=CCO[N-]C(=O)[C@H]1CC(c2cnn(C)c2)=NO1	ZINC001358285152	926666255	/nfs/dbraw/zinc/66/62/55/926666255.db2.gz	BJBCSVXIGBFJPU-SNVBAGLBSA-N	-1	0	250.258	0.147	20	30		CCEDRM
N#Cc1c[n-]c(=O)n(CC(=O)c2ccc3c(c2)COC3)c1=O	ZINC001413929279	926924048	/nfs/dbraw/zinc/92/40/48/926924048.db2.gz	JNZUVVIAFQVURH-UHFFFAOYSA-N	-1	0	297.270	0.321	20	30		CCEDRM
C=CC[C@@H](NC(=O)c1sccc1-n1cnnn1)C(=O)[O-]	ZINC000150042660	926947404	/nfs/dbraw/zinc/94/74/04/926947404.db2.gz	YBIDLVFHWILYTA-SSDOTTSWSA-N	-1	0	293.308	0.483	20	30		CCEDRM
Cc1cc(C#N)c(=O)[n-]c1C(=O)NCc1nncn1C1CC1	ZINC001361794243	927335390	/nfs/dbraw/zinc/33/53/90/927335390.db2.gz	BBOZYHXIQIZTPY-UHFFFAOYSA-N	-1	0	298.306	0.824	20	30		CCEDRM
Cc1cc(C#N)c(=O)[n-]c1C(=O)NCC(C)(C)C(N)=O	ZINC001361844133	927379353	/nfs/dbraw/zinc/37/93/53/927379353.db2.gz	HRVYCBQJFCGUQV-UHFFFAOYSA-N	-1	0	276.296	0.209	20	30		CCEDRM
CC(C)CC[C@@H](C)NC(=O)Cn1cc(C#N)c(=O)[n-]c1=O	ZINC001361890965	927426629	/nfs/dbraw/zinc/42/66/29/927426629.db2.gz	IADJPZFJWHDRJW-SNVBAGLBSA-N	-1	0	292.339	0.761	20	30		CCEDRM
CCCNC(=O)CCNC(=O)c1[n-]c(=O)c(C#N)cc1C	ZINC001361951523	927469479	/nfs/dbraw/zinc/46/94/79/927469479.db2.gz	GSIRPSPXNRRKDZ-UHFFFAOYSA-N	-1	0	290.323	0.613	20	30		CCEDRM
CO[C@@]1(CNC(=O)c2[n-]c(=O)c(C#N)cc2C)CCOC1	ZINC001362296304	927841382	/nfs/dbraw/zinc/84/13/82/927841382.db2.gz	APUPJLRAXCZBFE-CQSZACIVSA-N	-1	0	291.307	0.503	20	30		CCEDRM
Cc1cc(C#N)c(=O)[n-]c1C(=O)N[C@@H]1C(=O)NCC[C@@H]1C	ZINC001362434255	928013338	/nfs/dbraw/zinc/01/33/38/928013338.db2.gz	GPATUEKTGZFHNH-XVKPBYJWSA-N	-1	0	288.307	0.222	20	30		CCEDRM
CC(C)C(NC(=O)Cn1cc(C#N)c(=O)[n-]c1=O)C(C)C	ZINC001362530388	928139912	/nfs/dbraw/zinc/13/99/12/928139912.db2.gz	YRGWDCWMZGKCTD-UHFFFAOYSA-N	-1	0	292.339	0.617	20	30		CCEDRM
CC1(C2(NC(=O)Cn3cc(C#N)c(=O)[n-]c3=O)CC2)CC1	ZINC001362661477	928319011	/nfs/dbraw/zinc/31/90/11/928319011.db2.gz	SEJVJZBGFDWBTR-UHFFFAOYSA-N	-1	0	288.307	0.269	20	30		CCEDRM
C[C@H](C#N)CN(C(=O)CSc1n[nH]c(=O)[n-]1)C1CC1	ZINC001362775614	928473600	/nfs/dbraw/zinc/47/36/00/928473600.db2.gz	LSTYIYPEGPWXML-SSDOTTSWSA-N	-1	0	281.341	0.753	20	30		CCEDRM
CC(C)[C@]1(C)C[C@H]1NC(=O)Cn1cc(C#N)c(=O)[n-]c1=O	ZINC001362821282	928533836	/nfs/dbraw/zinc/53/38/36/928533836.db2.gz	YWGXFJFNIVTLLE-YGRLFVJLSA-N	-1	0	290.323	0.371	20	30		CCEDRM
N#Cc1nc(NC(=O)c2cccn(C3CC3)c2=O)[n-]c1C#N	ZINC001362864750	928588205	/nfs/dbraw/zinc/58/82/05/928588205.db2.gz	NIVHQGWOGVYEPV-UHFFFAOYSA-N	-1	0	294.274	0.902	20	30		CCEDRM
C[C@H](NC(=O)Cn1cc(C#N)c(=O)[n-]c1=O)C1CCCC1	ZINC001363029705	928779519	/nfs/dbraw/zinc/77/95/19/928779519.db2.gz	LNUVTRDNIZZLGY-VIFPVBQESA-N	-1	0	290.323	0.515	20	30		CCEDRM
C[C@@]1(C(=O)Nc2nc(C#N)c(C#N)[n-]2)CCCS1(=O)=O	ZINC001363156432	928929769	/nfs/dbraw/zinc/92/97/69/928929769.db2.gz	JVQPPPQUKUTYID-NSHDSACASA-N	-1	0	293.308	0.059	20	30		CCEDRM
C[C@]1(C(=O)Nc2nc(C#N)c(C#N)[n-]2)CCCS1(=O)=O	ZINC001363156423	928929838	/nfs/dbraw/zinc/92/98/38/928929838.db2.gz	JVQPPPQUKUTYID-LLVKDONJSA-N	-1	0	293.308	0.059	20	30		CCEDRM
CCc1ccccc1NC(=O)Cn1c(=O)[n-]cc(C#N)c1=O	ZINC001363185314	928954297	/nfs/dbraw/zinc/95/42/97/928954297.db2.gz	OPNFCCJVRBMVHU-UHFFFAOYSA-N	-1	0	298.302	0.609	20	30		CCEDRM
N#CCCN(Cc1ccccn1)C(=O)CCCc1nnn[n-]1	ZINC001443575330	929650003	/nfs/dbraw/zinc/65/00/03/929650003.db2.gz	QJDSAIFXGXIJNW-UHFFFAOYSA-N	-1	0	299.338	0.860	20	30		CCEDRM
Cc1ccc(C(=O)C=CC(=O)Nn2c(=O)[n-][nH]c2=O)cc1	ZINC001450463736	931293081	/nfs/dbraw/zinc/29/30/81/931293081.db2.gz	JNSXVUNRQGPCHU-VOTSOKGWSA-N	-1	0	288.263	0.507	20	30		CCEDRM
COCCCON=C(C)c1cn(CC(=O)[O-])nn1	ZINC001611000118	970841106	/nfs/dbraw/zinc/84/11/06/970841106.db2.gz	BYXLCGOXOLVPJR-UHFFFAOYSA-N	-1	0	256.262	0.140	20	30		CCEDRM
N#CCCNC(=O)C(=O)Nc1cccc(CC(=O)[O-])c1	ZINC001601068220	970927446	/nfs/dbraw/zinc/92/74/46/970927446.db2.gz	MRXQBCBTMHMWJZ-UHFFFAOYSA-N	-1	0	275.264	0.282	20	30		CCEDRM
N#Cc1cccn(CN2CCC[C@@H](CC(=O)[O-])C2)c1=O	ZINC001611299699	970982525	/nfs/dbraw/zinc/98/25/25/970982525.db2.gz	PEBAYTMBQGGGQU-NSHDSACASA-N	-1	0	275.308	0.864	20	30		CCEDRM
O=C([O-])Cn1cccc1C=NN[C@@H]1CCC[C@H]1O	ZINC001602166537	971160451	/nfs/dbraw/zinc/16/04/51/971160451.db2.gz	WAOCKWYTJBNBFR-GHMZBOCLSA-N	-1	0	251.286	0.410	20	30		CCEDRM
C#C[C@@H](NC(=O)Nc1ccn(CC(=O)[O-])n1)C(C)C	ZINC001602673599	971241269	/nfs/dbraw/zinc/24/12/69/971241269.db2.gz	XCFTYDUWBASGBJ-SECBINFHSA-N	-1	0	264.285	0.747	20	30		CCEDRM
C#C[C@H](C)NC(=O)NC[C@H]1CCC2(CC(C(=O)[O-])C2)O1	ZINC001602673632	971241402	/nfs/dbraw/zinc/24/14/02/971241402.db2.gz	YQSYFMBZZNLIBU-MMIJRFEOSA-N	-1	0	280.324	0.720	20	30		CCEDRM
C#CC[C@@H](COC)NC(=O)[C@@]1(C(=O)[O-])CC=CCC1	ZINC001602675423	971248822	/nfs/dbraw/zinc/24/88/22/971248822.db2.gz	VJLLSYKEGZGVRX-SMDDNHRTSA-N	-1	0	265.309	0.952	20	30		CCEDRM
C#CC[C@H](NC(=O)[C@@H](OC)C(=O)[O-])c1ccccc1	ZINC001602675520	971250494	/nfs/dbraw/zinc/25/04/94/971250494.db2.gz	YDNQSRDTEYDRPM-NWDGAFQWSA-N	-1	0	261.277	0.967	20	30		CCEDRM
C#CCCOC(=O)N(CCNC(C)=O)[C@H](C)C(=O)[O-]	ZINC001602675667	971251650	/nfs/dbraw/zinc/25/16/50/971251650.db2.gz	HXDLZZAHKXBPIZ-SECBINFHSA-N	-1	0	270.285	0.058	20	30		CCEDRM
C#CCCCCCC(=O)N1CCN(C(=O)C(=O)[O-])CC1	ZINC001602675708	971253115	/nfs/dbraw/zinc/25/31/15/971253115.db2.gz	KAMOTROOXASTCK-UHFFFAOYSA-N	-1	0	280.324	0.326	20	30		CCEDRM
C#CCN(CC(=O)[O-])C(=O)N[C@H]1CCO[C@H](C2CC2)C1	ZINC001602684140	971278564	/nfs/dbraw/zinc/27/85/64/971278564.db2.gz	RIHJPGKHRMIZFI-RYUDHWBXSA-N	-1	0	280.324	0.673	20	30		CCEDRM
C#CCN(CC(=O)[O-])C(=O)N[C@H](C)c1nccn1C	ZINC001602683350	971271712	/nfs/dbraw/zinc/27/17/12/971271712.db2.gz	BHVBQWQHPSZVJY-SECBINFHSA-N	-1	0	264.285	0.211	20	30		CCEDRM
C#CCN(CC(=O)[O-])C(=O)NC[C@H](C)c1ccncc1	ZINC001602684319	971279947	/nfs/dbraw/zinc/27/99/47/971279947.db2.gz	VVODDGPQOYGANO-NSHDSACASA-N	-1	0	275.308	0.915	20	30		CCEDRM
C#CCN(CC(=O)[O-])CC(C)(C)N1CCOCC1	ZINC001602695534	971308930	/nfs/dbraw/zinc/30/89/30/971308930.db2.gz	ISOPPBPOIAWSPF-UHFFFAOYSA-N	-1	0	254.330	0.117	20	30		CCEDRM
C#CCN(CC(=O)[O-])[C@H]1CCN(c2ccc(F)cc2)C1=O	ZINC001602695807	971312212	/nfs/dbraw/zinc/31/22/12/971312212.db2.gz	UEBHEIYVXNCBEO-ZDUSSCGKSA-N	-1	0	290.294	0.951	20	30		CCEDRM
C#CCN(CC(=O)[O-])c1nnnn1[C@H]1C[C@@H]2[C@H](C1)C2(F)F	ZINC001602700825	971322243	/nfs/dbraw/zinc/32/22/43/971322243.db2.gz	KYHUAYFMCRKPCS-AYMMMOKOSA-N	-1	0	297.265	0.414	20	30		CCEDRM
C#CCOc1cccc(NC(=O)COCC(=O)[O-])c1	ZINC001602704269	971333470	/nfs/dbraw/zinc/33/34/70/971333470.db2.gz	AISLTMATKDPXDH-UHFFFAOYSA-N	-1	0	263.249	0.738	20	30		CCEDRM
C#CCOc1ccccc1NC(=O)[C@@H](OC)C(=O)[O-]	ZINC001602704308	971334512	/nfs/dbraw/zinc/33/45/12/971334512.db2.gz	CISOYBAYQPYNLJ-LLVKDONJSA-N	-1	0	263.249	0.737	20	30		CCEDRM
C=C(C)[C@H]1OCC[C@@H]1CNC(=O)C(=O)N(C)CCC(=O)[O-]	ZINC001602706944	971340805	/nfs/dbraw/zinc/34/08/05/971340805.db2.gz	GCGDXOOUPAWCJR-ZYHUDNBSSA-N	-1	0	298.339	0.017	20	30		CCEDRM
C=C(CCC(=O)OC)C(=O)N[C@H]1CCC[C@H]1C(=O)[O-]	ZINC001602712629	971357325	/nfs/dbraw/zinc/35/73/25/971357325.db2.gz	VCKRBBVYZZDXER-ZJUUUORDSA-N	-1	0	269.297	0.865	20	30		CCEDRM
C=C1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CC(C(=O)[O-])=NO1	ZINC001602712945	971358278	/nfs/dbraw/zinc/35/82/78/971358278.db2.gz	BKHZRZZMYDWVNV-NGZCFLSTSA-N	-1	0	264.281	0.926	20	30		CCEDRM
C=C[C@H](O)c1nnc(N2CC[C@H](C(=O)[O-])[C@H](C)C2)n1C	ZINC001602717692	971370286	/nfs/dbraw/zinc/37/02/86/971370286.db2.gz	XZTJUSPBWAKPRJ-UTLUCORTSA-N	-1	0	280.328	0.582	20	30		CCEDRM
C=CC[C@@H](CO)NC(=O)Nc1ccnc(C(=O)[O-])c1	ZINC001602718102	971372218	/nfs/dbraw/zinc/37/22/18/971372218.db2.gz	DOXQREZSWILSGG-VIFPVBQESA-N	-1	0	265.269	0.838	20	30		CCEDRM
C=CCN1CC[C@@H](OC(=O)[C@H](C(=O)[O-])C(C)C)C1=O	ZINC001602723044	971393490	/nfs/dbraw/zinc/39/34/90/971393490.db2.gz	JIZMBMNAJYAYRZ-ZJUUUORDSA-N	-1	0	269.297	0.673	20	30		CCEDRM
C=CCSCCNC(=O)[C@]1(C(=O)[O-])CCCO1	ZINC001602728962	971398287	/nfs/dbraw/zinc/39/82/87/971398287.db2.gz	RRKXHCFVVQIQRT-NSHDSACASA-N	-1	0	259.327	0.656	20	30		CCEDRM
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C#CCOCCC(=O)N1CC[C@@H](C(=O)[O-])[C@@H](C)C1	ZINC001588430562	958257109	/nfs/dbraw/zinc/25/71/09/958257109.db2.gz	CQTSEJGPDLLTCW-WDEREUQCSA-N	-1	0	253.298	0.596	20	30		CCEDRM
C#CCNC(=O)CN[C@@H](C(=O)[O-])c1ccc(F)cc1	ZINC001588431356	958269324	/nfs/dbraw/zinc/26/93/24/958269324.db2.gz	WUDPSNNRQOQYTD-GFCCVEGCSA-N	-1	0	264.256	0.290	20	30		CCEDRM
C=C[C@@H](O)c1nnc(N2CCC[C@@H](C(=O)[O-])C2)n1CC	ZINC001588453245	958434753	/nfs/dbraw/zinc/43/47/53/958434753.db2.gz	WCDSNIBWJNKBBZ-NXEZZACHSA-N	-1	0	280.328	0.818	20	30		CCEDRM
C=CCC[C@H](CO)NC(=O)[C@]1(C(=O)[O-])CC1(C)C	ZINC001588457267	958448051	/nfs/dbraw/zinc/44/80/51/958448051.db2.gz	SDUCHJGJEQMJPY-RNCFNFMXSA-N	-1	0	255.314	0.931	20	30		CCEDRM
C=CCN(C(=O)c1cc(C(=O)[O-])n[nH]1)[C@H](C)COC	ZINC001588463380	958484289	/nfs/dbraw/zinc/48/42/89/958484289.db2.gz	OTQVZADPUBSKBJ-MRVPVSSYSA-N	-1	0	267.285	0.771	20	30		CCEDRM
C=CCOC[C@H](NC(=O)[C@@H](C(=O)[O-])C(C)C)C(=O)OC	ZINC001588465256	958499308	/nfs/dbraw/zinc/49/93/08/958499308.db2.gz	UHNMUOBZQHZURU-UWVGGRQHSA-N	-1	0	287.312	0.204	20	30		CCEDRM
C=C1CC(C)(C(=O)N[C@@H]2CCCCN(CC(=O)[O-])C2=O)C1	ZINC001573330137	958517250	/nfs/dbraw/zinc/51/72/50/958517250.db2.gz	VCHZPHVQDIDWKD-LLVKDONJSA-N	-1	0	294.351	0.925	20	30		CCEDRM
C=CCn1c([C@@H](O)C=C)nnc1N1CC[C@@](C)(C(=O)[O-])C1	ZINC001588470067	958522222	/nfs/dbraw/zinc/52/22/22/958522222.db2.gz	BGWMAWSTLGGVMI-IINYFYTJSA-N	-1	0	292.339	0.985	20	30		CCEDRM
C=CCn1nnnc1SCC1(O)CCC(C(=O)[O-])CC1	ZINC001588475053	958560502	/nfs/dbraw/zinc/56/05/02/958560502.db2.gz	VKMCBHLRXAXSKV-UHFFFAOYSA-N	-1	0	298.368	0.957	20	30		CCEDRM
C=C[C@@H]1OCC[C@H]1NC(=O)c1cccn(CC(=O)[O-])c1=O	ZINC001588478246	958561605	/nfs/dbraw/zinc/56/16/05/958561605.db2.gz	ABTUPZDHZXCKDC-MNOVXSKESA-N	-1	0	292.291	0.006	20	30		CCEDRM
C[C@@](C#N)(CC(=O)[O-])C(=O)NCCC[C@H]1CCOC1=O	ZINC001573364732	958617358	/nfs/dbraw/zinc/61/73/58/958617358.db2.gz	QNJJVXFBHSTDQS-ZANVPECISA-N	-1	0	282.296	0.450	20	30		CCEDRM
CC(=O)N1CCC(NC(=O)[C@@](C)(C#N)CC(=O)[O-])CC1	ZINC001588494752	958669596	/nfs/dbraw/zinc/66/95/96/958669596.db2.gz	RQICBZWDYZICIE-CYBMUJFWSA-N	-1	0	281.312	0.118	20	30		CCEDRM
CC(=O)NCCN(C(=O)CCCC#N)[C@@H](C)C(=O)[O-]	ZINC001588506858	958734652	/nfs/dbraw/zinc/73/46/52/958734652.db2.gz	STOPBUZZPKEMFQ-VIFPVBQESA-N	-1	0	269.301	0.118	20	30		CCEDRM
C[C@](C#N)(CC(=O)[O-])C(=O)N1CC[C@@H]2NC(=O)CC[C@H]2C1	ZINC001588535500	958930490	/nfs/dbraw/zinc/93/04/90/958930490.db2.gz	OPXTXHVNZNFMBB-PKFCDNJMSA-N	-1	0	293.323	0.118	20	30		CCEDRM
CC(C)(CNC(=O)[C@@](C)(C#N)CC(=O)[O-])n1ccnc1	ZINC001588537921	958937609	/nfs/dbraw/zinc/93/76/09/958937609.db2.gz	AHPCRAPJXYABFM-CYBMUJFWSA-N	-1	0	278.312	0.739	20	30		CCEDRM
C[C@@H](C#N)CNC(=O)NC[C@H]1CCC2(CC(C(=O)[O-])C2)O1	ZINC001588543452	958979899	/nfs/dbraw/zinc/97/98/99/958979899.db2.gz	MDWHZJPIZCIGGI-MMIJRFEOSA-N	-1	0	295.339	0.858	20	30		CCEDRM
C#CC[C@H](NC(=O)CNC(=O)Nc1ccccc1)C(=O)[O-]	ZINC000149684352	959022134	/nfs/dbraw/zinc/02/21/34/959022134.db2.gz	WVALSYHYLLHDHQ-NSHDSACASA-N	-1	0	289.291	0.401	20	30		CCEDRM
C#CC[C@@H](NC(=O)c1c(C)nc(C(C)C)[nH]c1=O)C(=O)[O-]	ZINC000149691939	959022829	/nfs/dbraw/zinc/02/28/29/959022829.db2.gz	COBPWUFANHLTOV-SECBINFHSA-N	-1	0	291.307	0.408	20	30		CCEDRM
CC(C)[C@H](CNc1cnc(C#N)c(C#N)n1)C(=O)[O-]	ZINC001573499352	959049639	/nfs/dbraw/zinc/04/96/39/959049639.db2.gz	KDIDGIDVGGPFAZ-QMMMGPOBSA-N	-1	0	259.269	0.989	20	30		CCEDRM
C[C@](C#N)(CC(=O)[O-])C(=O)NCC1CC2(C1)OCCO2	ZINC001588556342	959055585	/nfs/dbraw/zinc/05/55/85/959055585.db2.gz	BFTGDNDHNMIFIV-GFCCVEGCSA-N	-1	0	282.296	0.260	20	30		CCEDRM
CC(C)[C@@H](O)CCNC(=O)[C@](C)(C#N)CC(=O)[O-]	ZINC001573500731	959060403	/nfs/dbraw/zinc/06/04/03/959060403.db2.gz	UBJINTSGWKCKIQ-CABZTGNLSA-N	-1	0	256.302	0.514	20	30		CCEDRM
C=C(C)CCN1CCS(=O)(=O)C[C@@H]1CC(=O)[O-]	ZINC000164465051	959257499	/nfs/dbraw/zinc/25/74/99/959257499.db2.gz	RYAMSPDIQYKNGU-JTQLQIEISA-N	-1	0	261.343	0.526	20	30		CCEDRM
C[C@@H](C(=O)[O-])N(C(=O)c1ccc(C#N)n1C)C1CC1	ZINC001588589082	959330965	/nfs/dbraw/zinc/33/09/65/959330965.db2.gz	DXQTWUSSIQDIFU-QMMMGPOBSA-N	-1	0	261.281	0.974	20	30		CCEDRM
C[C@@H]1CC[C@H](C(=O)[O-])N1C(=O)c1ccc(C#N)n1C	ZINC001594218037	959347649	/nfs/dbraw/zinc/34/76/49/959347649.db2.gz	KMVNUTCPEBSMHG-LDYMZIIASA-N	-1	0	261.281	0.974	20	30		CCEDRM
C[C@@](O)(CNC(=O)[C@H](CC#N)c1ccccc1)C(=O)[O-]	ZINC001573635109	959587068	/nfs/dbraw/zinc/58/70/68/959587068.db2.gz	ZVWHBLXSNXVFED-BXUZGUMPSA-N	-1	0	276.292	0.636	20	30		CCEDRM
N#Cc1ccnc(NCCOCC(=O)[O-])c1[N+](=O)[O-]	ZINC000214609104	959736411	/nfs/dbraw/zinc/73/64/11/959736411.db2.gz	BESCCXITKHBNOW-UHFFFAOYSA-N	-1	0	266.213	0.375	20	30		CCEDRM
C[C@@H]1C[C@H](C(=O)[O-])CN(c2cnc(C#N)c(C#N)n2)C1	ZINC001573698064	959798100	/nfs/dbraw/zinc/79/81/00/959798100.db2.gz	FMQCOXFSVGTNDD-BDAKNGLRSA-N	-1	0	271.280	0.767	20	30		CCEDRM
N#Cc1cccc(CN2CCOC[C@@H]2C(=O)[O-])c1F	ZINC000222394940	959814973	/nfs/dbraw/zinc/81/49/73/959814973.db2.gz	INLKXEJLUMLBSD-LLVKDONJSA-N	-1	0	264.256	0.983	20	30		CCEDRM
N#Cc1cc(C(=O)Nc2ncn(CC(=O)[O-])n2)co1	ZINC001574240986	960462323	/nfs/dbraw/zinc/46/23/23/960462323.db2.gz	FMEOMHLBAUGUKK-UHFFFAOYSA-N	-1	0	261.197	0.080	20	30		CCEDRM
CC[C@@H](CNC(=O)NCc1ccc(C#N)cn1)C(=O)[O-]	ZINC001573798233	960796141	/nfs/dbraw/zinc/79/61/41/960796141.db2.gz	UALNKAJHTRABJF-JTQLQIEISA-N	-1	0	276.296	0.863	20	30		CCEDRM
Cc1nc(C#N)cc(N2C[C@H]3COC[C@@]3(C(=O)[O-])C2)n1	ZINC001574418694	961339919	/nfs/dbraw/zinc/33/99/19/961339919.db2.gz	RAXVANVQMRJPNA-ZANVPECISA-N	-1	0	274.280	0.194	20	30		CCEDRM
CC(C)[C@H](C#N)N1CCN(C(=O)[C@]2(C(=O)[O-])C[C@H]2C)CC1	ZINC001588801771	961427473	/nfs/dbraw/zinc/42/74/73/961427473.db2.gz	GJGRIIVDAKVTJJ-XUJVJEKNSA-N	-1	0	293.367	0.790	20	30		CCEDRM
CC(C)[C@@H](C(=O)[O-])C(=O)N1CCN(CC#N)CC1	ZINC001588803268	961442504	/nfs/dbraw/zinc/44/25/04/961442504.db2.gz	SDVKOSUXWHJKPI-SNVBAGLBSA-N	-1	0	253.302	0.011	20	30		CCEDRM
CCOCCOCCN(C)C(=O)[C@@](C)(C#N)CC(=O)[O-]	ZINC001573913209	961490623	/nfs/dbraw/zinc/49/06/23/961490623.db2.gz	AOKQHSXFTLIHIA-CYBMUJFWSA-N	-1	0	286.328	0.502	20	30		CCEDRM
N#CCn1cc(NC(=O)[C@@H]2CO[C@@H](CCC(=O)[O-])C2)cn1	ZINC001574479570	961650484	/nfs/dbraw/zinc/65/04/84/961650484.db2.gz	JYBIWYPKKXURNZ-ONGXEEELSA-N	-1	0	292.295	0.615	20	30		CCEDRM
N#C[C@H]1C[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)[O-]	ZINC001574480039	961656116	/nfs/dbraw/zinc/65/61/16/961656116.db2.gz	ULPJVJUQVIRIII-UTUOFQBUSA-N	-1	0	258.277	0.958	20	30		CCEDRM
N#CC[C@]1(O)CCN(C(=O)[C@H]2CC[C@@H](C(=O)[O-])C2)C1	ZINC001574480022	961656683	/nfs/dbraw/zinc/65/66/83/961656683.db2.gz	AGBZYAYGZCIVHE-CWSCBRNRSA-N	-1	0	266.297	0.364	20	30		CCEDRM
N#CCCCNC(=O)N1C[C@H]2COC[C@@]2(C(=O)[O-])C1	ZINC001574481259	961671970	/nfs/dbraw/zinc/67/19/70/961671970.db2.gz	XUPJKXMXXSVSJJ-CABZTGNLSA-N	-1	0	267.285	0.033	20	30		CCEDRM
N#Cc1ccc([C@@H](O)C(=O)Nc2cc(C(=O)[O-])n[nH]2)cc1	ZINC001574486050	961681843	/nfs/dbraw/zinc/68/18/43/961681843.db2.gz	PUDACGARDXHZMR-LLVKDONJSA-N	-1	0	286.247	0.652	20	30		CCEDRM
N#Cc1cc(CNC(=O)c2ccc(C(=O)[O-])nc2)ccn1	ZINC001574486450	961685211	/nfs/dbraw/zinc/68/52/11/961685211.db2.gz	XRKABZXXOBGITJ-UHFFFAOYSA-N	-1	0	282.259	0.976	20	30		CCEDRM
N#Cc1ccc(S(=O)(=O)N[C@H]2C[C@@H](C(=O)[O-])C2)o1	ZINC001574490084	961710615	/nfs/dbraw/zinc/71/06/15/961710615.db2.gz	VCWSBVVKTZEVIN-KNVOCYPGSA-N	-1	0	270.266	0.293	20	30		CCEDRM
N#Cc1cccc(C(=O)Nc2cc(C(=O)[O-])n[nH]2)n1	ZINC001574490125	961710748	/nfs/dbraw/zinc/71/07/48/961710748.db2.gz	XJOZPPOXGCBSOP-UHFFFAOYSA-N	-1	0	257.209	0.627	20	30		CCEDRM
N#Cc1c[nH]nc1NC(=O)[C@@H]1CO[C@H](CCC(=O)[O-])C1	ZINC001574493439	961719060	/nfs/dbraw/zinc/71/90/60/961719060.db2.gz	MCAATFUDNWMEEQ-IONNQARKSA-N	-1	0	278.268	0.490	20	30		CCEDRM
CC(C)[C@H](CO)CNC(=O)[C@@](C)(C#N)CC(=O)[O-]	ZINC001588833195	961730508	/nfs/dbraw/zinc/73/05/08/961730508.db2.gz	HTRGACPYXQVSNX-JOYOIKCWSA-N	-1	0	256.302	0.372	20	30		CCEDRM
Cc1cc(NC(=O)N2CCO[C@@H](C(=O)[O-])C2)ncc1C#N	ZINC001574141115	962574821	/nfs/dbraw/zinc/57/48/21/962574821.db2.gz	IKELQWDWLRJULY-SNVBAGLBSA-N	-1	0	290.279	0.579	20	30		CCEDRM
C#CCCCC(=O)N[C@@H]1C[C@@H](C)N(C(=O)CNC(=O)[O-])C1	ZINC001573302359	962652107	/nfs/dbraw/zinc/65/21/07/962652107.db2.gz	ATODRNDMNGNTIE-GHMZBOCLSA-N	-1	0	295.339	0.163	20	30		CCEDRM
C#CC[C@H](NCc1ncc(C2OCCO2)s1)C(=O)[O-]	ZINC001573302684	962658673	/nfs/dbraw/zinc/65/86/73/962658673.db2.gz	DJYLIBOWKQXREP-QMMMGPOBSA-N	-1	0	282.321	0.755	20	30		CCEDRM
C#C[C@H](NC(=O)N1C[C@@H](C)[C@H](CC(=O)[O-])C1)[C@H]1CCCO1	ZINC001573303372	962675277	/nfs/dbraw/zinc/67/52/77/962675277.db2.gz	XFENLFPOPGPUMI-FVCCEPFGSA-N	-1	0	294.351	0.919	20	30		CCEDRM
C=C(C)CCC(=O)NC1CN(C(=O)[C@@H]2C[C@H]2C(=O)[O-])C1	ZINC001573323442	962772812	/nfs/dbraw/zinc/77/28/12/962772812.db2.gz	BRGAPFHOAJOOSQ-GHMZBOCLSA-N	-1	0	280.324	0.390	20	30		CCEDRM
C=C(C)CCC(=O)NC1CN(C(=O)[C@@H]2C[C@@H]2C(=O)[O-])C1	ZINC001573323444	962773420	/nfs/dbraw/zinc/77/34/20/962773420.db2.gz	BRGAPFHOAJOOSQ-MNOVXSKESA-N	-1	0	280.324	0.390	20	30		CCEDRM
C[C@H](CC#N)NC(=O)C(=O)Nc1cccc(C(=O)[O-])c1	ZINC001588988259	962776521	/nfs/dbraw/zinc/77/65/21/962776521.db2.gz	YHQVLCLPPFXZRV-MRVPVSSYSA-N	-1	0	275.264	0.742	20	30		CCEDRM
C=C(CCC(=O)[O-])C(=O)N[C@@H]1CN(c2ccccc2)C1=O	ZINC001573331935	962820593	/nfs/dbraw/zinc/82/05/93/962820593.db2.gz	BGGHIAYFPYJQHE-GFCCVEGCSA-N	-1	0	288.303	0.939	20	30		CCEDRM
C=C(CCC(=O)[O-])C(=O)N1C[C@@H]2C(=O)OC[C@@H]2C1	ZINC001573332605	962837018	/nfs/dbraw/zinc/83/70/18/962837018.db2.gz	PFXACUVDOCVXHX-IUCAKERBSA-N	-1	0	253.254	0.039	20	30		CCEDRM
CC[C@](C)(C#N)C(=O)NC[C@@H](C(=O)[O-])[C@H]1CCOC1	ZINC001520199341	962843471	/nfs/dbraw/zinc/84/34/71/962843471.db2.gz	KEBZHYQVURIKBB-OPQQBVKSSA-N	-1	0	268.313	0.780	20	30		CCEDRM
C=C(CCC(=O)[O-])C(=O)NC1CCN(C(C)=O)CC1	ZINC001573332962	962848340	/nfs/dbraw/zinc/84/83/40/962848340.db2.gz	SAFFWIYWGZASIZ-UHFFFAOYSA-N	-1	0	268.313	0.535	20	30		CCEDRM
C=C(Cl)CN1CC(N(C)C(=O)[C@H]2C[C@H]2C(=O)[O-])C1	ZINC001573339360	962889562	/nfs/dbraw/zinc/88/95/62/962889562.db2.gz	RCPFMADXEBLMCE-VHSXEESVSA-N	-1	0	272.732	0.602	20	30		CCEDRM
C=C(Cl)CN1CC(N(C)C(=O)CNC(=O)[O-])C1	ZINC001573339364	962889748	/nfs/dbraw/zinc/88/97/48/962889748.db2.gz	RGVPGKXCIQABGY-UHFFFAOYSA-N	-1	0	261.709	0.149	20	30		CCEDRM
C=CC(C)(C)C(=O)NCCN(CC)C(=O)[C@@H]1C[C@@H]1C(=O)[O-]	ZINC001573348662	962960796	/nfs/dbraw/zinc/96/07/96/962960796.db2.gz	ZEMGEUWARLWFJI-MNOVXSKESA-N	-1	0	296.367	0.884	20	30		CCEDRM
COc1cc(CN2C[C@H](O)C[C@H]2C(=O)[O-])ccc1C#N	ZINC000300204942	962992717	/nfs/dbraw/zinc/99/27/17/962992717.db2.gz	KYGDBPZELBZKIU-NEPJUHHUSA-N	-1	0	276.292	0.587	20	30		CCEDRM
C=CCCC[C@H](NC(=O)CC1C(=O)N=CNC1=O)C(=O)[O-]	ZINC001573357764	963020257	/nfs/dbraw/zinc/02/02/57/963020257.db2.gz	SDNNPLMCOMFHJR-VIFPVBQESA-N	-1	0	295.295	0.356	20	30		CCEDRM
C=CCCCC(=O)NC[C@H]1CCCN1C(=O)CNC(=O)[O-]	ZINC001573357704	963020285	/nfs/dbraw/zinc/02/02/85/963020285.db2.gz	RAPWIZCUTGZOEZ-LLVKDONJSA-N	-1	0	297.355	0.718	20	30		CCEDRM
N#Cc1ccn(Cc2nc(C(=O)[O-])cs2)c(=O)c1	ZINC001570976493	963056497	/nfs/dbraw/zinc/05/64/97/963056497.db2.gz	JOYNJMQYPUAURV-UHFFFAOYSA-N	-1	0	261.262	0.923	20	30		CCEDRM
N#Cc1ncc(N2CCN(C(=O)[O-])CC2)nc1C#N	ZINC001570978562	963069722	/nfs/dbraw/zinc/06/97/22/963069722.db2.gz	BPAARNNPRLGZTK-UHFFFAOYSA-N	-1	0	258.241	0.020	20	30		CCEDRM
Cc1nc(C(=O)N[C@H]2CC[C@H]2C(=O)[O-])ccc1C#N	ZINC001570978676	963071063	/nfs/dbraw/zinc/07/10/63/963071063.db2.gz	DMMQBTYXUMXSPC-ZJUUUORDSA-N	-1	0	259.265	0.855	20	30		CCEDRM
N#Cc1cc(C(=O)[O-])cn(CC[C@H]2CCOC2)c1=O	ZINC001570982264	963095473	/nfs/dbraw/zinc/09/54/73/963095473.db2.gz	PXHUTRDWEHWIGW-VIFPVBQESA-N	-1	0	262.265	0.845	20	30		CCEDRM
CCS(=O)(=O)CCN1CCC(C#N)(C(=O)[O-])CC1	ZINC001571002009	963221119	/nfs/dbraw/zinc/22/11/19/963221119.db2.gz	NLJKFSGNPSINPV-UHFFFAOYSA-N	-1	0	274.342	0.111	20	30		CCEDRM
N#C[C@@H](CCc1ccccc1)C(=O)N[C@@H](CO)C(=O)[O-]	ZINC001571005776	963243821	/nfs/dbraw/zinc/24/38/21/963243821.db2.gz	ZOKNOOJLLOJEQA-NEPJUHHUSA-N	-1	0	276.292	0.321	20	30		CCEDRM
N#Cc1ccc(CNCc2cn(CC(=O)[O-])nn2)s1	ZINC001571005901	963246167	/nfs/dbraw/zinc/24/61/67/963246167.db2.gz	ICPKTPSDMFTEIC-UHFFFAOYSA-N	-1	0	277.309	0.586	20	30		CCEDRM
C#CCCCC(=O)N1C[C@H](C(=O)[O-])CC[C@@H]1C(=O)OC	ZINC001588435343	964021331	/nfs/dbraw/zinc/02/13/31/964021331.db2.gz	MKZJKDAKMFHXNU-GHMZBOCLSA-N	-1	0	281.308	0.655	20	30		CCEDRM
C#CCC[C@@H](O)CNC(=O)c1ccoc1CC(=O)[O-]	ZINC001588435381	964021354	/nfs/dbraw/zinc/02/13/54/964021354.db2.gz	NZQZZEKLTWEJAH-SECBINFHSA-N	-1	0	265.265	0.411	20	30		CCEDRM
C#CCCCCC(=O)O[C@@H]1CCN(CCC(=O)[O-])C1=O	ZINC001588440677	964042660	/nfs/dbraw/zinc/04/26/60/964042660.db2.gz	IEEMJJAFQCNZCJ-LLVKDONJSA-N	-1	0	281.308	0.799	20	30		CCEDRM
C#CCCCCC(=O)N[C@H](CCC(=O)[O-])C(=O)OC	ZINC001588440700	964043349	/nfs/dbraw/zinc/04/33/49/964043349.db2.gz	JZSJUZWNDPZIRM-SNVBAGLBSA-N	-1	0	269.297	0.703	20	30		CCEDRM
C=C(C)C[C@@H](NC(C)=O)C(=O)N[C@H](C)CC(=O)[O-]	ZINC001588441498	964052386	/nfs/dbraw/zinc/05/23/86/964052386.db2.gz	JCMCJRYWFQNQCL-PSASIEDQSA-N	-1	0	256.302	0.437	20	30		CCEDRM
C=C(C)C[C@H](NC(C)=O)C(=O)Nc1ccn(CC(=O)[O-])n1	ZINC001588443366	964060900	/nfs/dbraw/zinc/06/09/00/964060900.db2.gz	ZTMPJWAECZPGBR-JTQLQIEISA-N	-1	0	294.311	0.377	20	30		CCEDRM
N#CCNC(=O)CN1Cc2ccccc2[C@H](C(=O)[O-])C1	ZINC000087612288	967583582	/nfs/dbraw/zinc/58/35/82/967583582.db2.gz	FHGQJFDKVVSRON-GFCCVEGCSA-N	-1	0	273.292	0.310	20	30		CCEDRM
C[C@H](C(=O)[O-])C(=O)OCC(=O)Nc1ccc(C#N)cc1	ZINC001609705766	970476883	/nfs/dbraw/zinc/47/68/83/970476883.db2.gz	GWZOSSZWOYINGS-MRVPVSSYSA-N	-1	0	276.248	0.761	20	30		CCEDRM
CC(C)[C@@H](C#N)N1CCN(C(=O)CCC(=O)[O-])CC1	ZINC001609789438	970528965	/nfs/dbraw/zinc/52/89/65/970528965.db2.gz	OKRVYINKDJBYDZ-LLVKDONJSA-N	-1	0	267.329	0.544	20	30		CCEDRM
C=CCNC(=O)CNC(=O)CC1(CC(=O)[O-])CCCC1	ZINC000393813661	972644872	/nfs/dbraw/zinc/64/48/72/972644872.db2.gz	FCFPLFHANFIVFD-UHFFFAOYSA-N	-1	0	282.340	0.830	20	30		CCEDRM
C[C@](C#N)(CC(=O)[O-])C(=O)NC[C@H]1CC(C)(C)CO1	ZINC001603334166	972700987	/nfs/dbraw/zinc/70/09/87/972700987.db2.gz	NIDXTPZOEKEIFI-NOZJJQNGSA-N	-1	0	268.313	0.922	20	30		CCEDRM
Cc1cc(C(=O)N2CC[C@H](C(=O)[O-])C2)ncc1C#N	ZINC001605112181	972769046	/nfs/dbraw/zinc/76/90/46/972769046.db2.gz	KJEGCHASICXYBG-VIFPVBQESA-N	-1	0	259.265	0.808	20	30		CCEDRM
COC(=O)CC[C@H](NC(=O)CC1(C#N)CC1)C(=O)[O-]	ZINC001604318521	972991876	/nfs/dbraw/zinc/99/18/76/972991876.db2.gz	XWVLATPOABLIRJ-QMMMGPOBSA-N	-1	0	268.269	0.203	20	30		CCEDRM
C[C@@H]1C[C@@]1(C(=O)[O-])C(=O)N1C[C@@H](C)N(CC#N)[C@@H](C)C1	ZINC001603450976	973259045	/nfs/dbraw/zinc/25/90/45/973259045.db2.gz	NXDOMEWDEYFOPV-PUHVVEEASA-N	-1	0	279.340	0.542	20	30		CCEDRM
C#C[C@H](CCC)NC(=O)N1C[C@@H](O)C[C@H](C(=O)[O-])C1	ZINC000401821035	973420558	/nfs/dbraw/zinc/42/05/58/973420558.db2.gz	DMPASDQMUFMUSO-AXFHLTTASA-N	-1	0	268.313	0.265	20	30		CCEDRM
COC[C@]1(C(=O)[O-])CCN(C(=O)C2(C#N)CC(C)C2)C1	ZINC001604522589	973463446	/nfs/dbraw/zinc/46/34/46/973463446.db2.gz	AJOBZMGHYMTZOK-AWAWDMARSA-N	-1	0	280.324	0.876	20	30		CCEDRM
COC[C@]1(C(=O)[O-])CCN(C(=O)c2ccc(C#N)n2C)C1	ZINC001604535490	973503418	/nfs/dbraw/zinc/50/34/18/973503418.db2.gz	ANERTHCSKDKUET-AWEZNQCLSA-N	-1	0	291.307	0.460	20	30		CCEDRM
Cc1nnc2n1CCN(C(=O)[C@@](C)(C#N)CC(=O)[O-])[C@@H]2C	ZINC001605444453	973508135	/nfs/dbraw/zinc/50/81/35/973508135.db2.gz	IICCZVQOXFEJHM-AMIZOPFISA-N	-1	0	291.311	0.494	20	30		CCEDRM
Cc1cc(N2C[C@H](C(=O)[O-])C[C@H](O)C2)cc(C#N)n1	ZINC000401921125	973534696	/nfs/dbraw/zinc/53/46/96/973534696.db2.gz	IYLPUXCZNYHZJP-SKDRFNHKSA-N	-1	0	261.281	0.534	20	30		CCEDRM
Cc1onc(CC(=O)N(C)C[C@@H](C)C(=O)[O-])c1C#N	ZINC001605459904	973550206	/nfs/dbraw/zinc/55/02/06/973550206.db2.gz	CIGHLFYTGNCBGY-SSDOTTSWSA-N	-1	0	265.269	0.576	20	30		CCEDRM
Cn1cc(C#N)c(NC(=O)c2ccc(C(=O)[O-])nc2)n1	ZINC001605477410	973593834	/nfs/dbraw/zinc/59/38/34/973593834.db2.gz	UWVFVLAPBGXVQS-UHFFFAOYSA-N	-1	0	271.236	0.637	20	30		CCEDRM
COC[C@@H]1CN(C(=O)[C@@](C)(C#N)CC(=O)[O-])C[C@H](C)O1	ZINC001604567170	973642132	/nfs/dbraw/zinc/64/21/32/973642132.db2.gz	IRXWEWZBWYBARC-OUJBWJOFSA-N	-1	0	284.312	0.253	20	30		CCEDRM
COCCN(CC(=O)[O-])C(=O)c1cc(C#N)ccn1	ZINC001604591860	973681050	/nfs/dbraw/zinc/68/10/50/973681050.db2.gz	HBZZFEBSIGIIMD-UHFFFAOYSA-N	-1	0	263.253	0.126	20	30		CCEDRM
N#C[C@H](NC(=O)COCC(=O)[O-])C1CCCCC1	ZINC001605575786	973840537	/nfs/dbraw/zinc/84/05/37/973840537.db2.gz	FCANJDXKMGSJDU-JTQLQIEISA-N	-1	0	254.286	0.676	20	30		CCEDRM
N#C[C@H](NC(=O)c1cc(C(=O)[O-])n[nH]1)C1CCCC1	ZINC001605576422	973848168	/nfs/dbraw/zinc/84/81/68/973848168.db2.gz	NDPIUBIAPVVGHH-JTQLQIEISA-N	-1	0	262.269	0.920	20	30		CCEDRM
CC[C@@]1(O)CCN(C(=O)[C@@](C)(C#N)CC(=O)[O-])C1	ZINC001603617329	973901274	/nfs/dbraw/zinc/90/12/74/973901274.db2.gz	XHHJGIFOOSFWCN-VXGBXAGGSA-N	-1	0	254.286	0.364	20	30		CCEDRM
N#Cc1ccc(NC(=O)N2CC[C@H](C(=O)[O-])C2)nc1	ZINC001605612371	973925885	/nfs/dbraw/zinc/92/58/85/973925885.db2.gz	IULZHTPVVQTUAC-VIFPVBQESA-N	-1	0	260.253	0.892	20	30		CCEDRM
N#Cc1ccnc(CNc2ccn(CC(=O)[O-])n2)c1	ZINC001605622830	973943294	/nfs/dbraw/zinc/94/32/94/973943294.db2.gz	CVNSATSSWGWXRG-UHFFFAOYSA-N	-1	0	257.253	0.846	20	30		CCEDRM
CC[C@@H](NS(=O)(=O)Cc1csc(C#N)c1)C(=O)[O-]	ZINC001603918690	974413505	/nfs/dbraw/zinc/41/35/05/974413505.db2.gz	DUNMXVWWHFLLSJ-SECBINFHSA-N	-1	0	288.350	0.902	20	30		CCEDRM
CN(C(=O)c1cnc(C(=O)[O-])cn1)[C@@H]1CCC[C@H]1C#N	ZINC001604041644	974571411	/nfs/dbraw/zinc/57/14/11/974571411.db2.gz	UNNWAUXVRUNVJN-GZMMTYOYSA-N	-1	0	274.280	0.939	20	30		CCEDRM
CC(C)[C@H](NC(=O)CON=C[C@@H]1CCCO1)C(=O)[O-]	ZINC001591875989	976223569	/nfs/dbraw/zinc/22/35/69/976223569.db2.gz	FYBFTBDISNHXLM-ONGXEEELSA-N	-1	0	272.301	0.393	20	30		CCEDRM
C[C@@H](CC#N)C(=O)N(CC(=O)[O-])C1CCOCC1	ZINC001592210136	977252623	/nfs/dbraw/zinc/25/26/23/977252623.db2.gz	AIAAGRKXOUMTNR-VIFPVBQESA-N	-1	0	254.286	0.628	20	30		CCEDRM
C[C@@H](OC(=O)[C@@H](C)CC(=O)[O-])C(=O)NC1(C#N)CCC1	ZINC001592367048	977869155	/nfs/dbraw/zinc/86/91/55/977869155.db2.gz	IDMGHJVOXAVDPW-DTWKUNHWSA-N	-1	0	282.296	0.591	20	30		CCEDRM
C[C@@H](CC(=O)[O-])CC(=O)N[C@@](C)(C#N)CN(C)C	ZINC001592375694	977912062	/nfs/dbraw/zinc/91/20/62/977912062.db2.gz	SJMSFYZELOUCMB-SKDRFNHKSA-N	-1	0	255.318	0.447	20	30		CCEDRM
CC[C@H](CC#N)NC(=O)Nc1c(C(=O)[O-])cnn1C	ZINC001595030597	979169006	/nfs/dbraw/zinc/16/90/06/979169006.db2.gz	SYIOHLASTAHGND-SSDOTTSWSA-N	-1	0	265.273	0.932	20	30		CCEDRM
CCC(CC)(NS(=O)(=O)N(C)[C@@H](C)CC#N)C(=O)[O-]	ZINC001595101268	979405541	/nfs/dbraw/zinc/40/55/41/979405541.db2.gz	BVYVQHRXISXBQD-VIFPVBQESA-N	-1	0	291.373	0.698	20	30		CCEDRM
C[C@H](CS(=O)(=O)Oc1cccnc1C#N)C(=O)[O-]	ZINC001592814489	979503264	/nfs/dbraw/zinc/50/32/64/979503264.db2.gz	SXPFYZKYNBPGDQ-SSDOTTSWSA-N	-1	0	270.266	0.383	20	30		CCEDRM
CC[C@H](CNC(=O)C(=O)Nc1sccc1C#N)C(=O)[O-]	ZINC001595135570	979578079	/nfs/dbraw/zinc/57/80/79/979578079.db2.gz	WUIQJOMKGBCDBG-SSDOTTSWSA-N	-1	0	295.320	0.785	20	30		CCEDRM
C[C@H](Cc1cnn(C)c1)C(=O)N(CC#N)CC(=O)[O-]	ZINC001592908637	979865515	/nfs/dbraw/zinc/86/55/15/979865515.db2.gz	FXYKXSAXENRXSG-SECBINFHSA-N	-1	0	264.285	0.035	20	30		CCEDRM
C[C@@](Cn1cccn1)(NC(=O)CCCC#N)C(=O)[O-]	ZINC001592917999	979899868	/nfs/dbraw/zinc/89/98/68/979899868.db2.gz	XOEHBYUVRADJMT-LBPRGKRZSA-N	-1	0	264.285	0.536	20	30		CCEDRM
CCC/C=C\[C@@H](O)C(=O)N(CC#N)CCC(=O)[O-]	ZINC001595626316	981759091	/nfs/dbraw/zinc/75/90/91/981759091.db2.gz	QSNAEIQNLDLVQA-UMCURTJPSA-N	-1	0	254.286	0.530	20	30		CCEDRM
COC[C@H](NS(=O)(=O)c1ccccc1CC#N)C(=O)[O-]	ZINC001573990496	983149590	/nfs/dbraw/zinc/14/95/90/983149590.db2.gz	IDGUVMBNTIRVMP-JTQLQIEISA-N	-1	0	298.320	0.131	20	30		CCEDRM
N#Cc1cc(CNc2ccnc(C(=O)[O-])n2)ccn1	ZINC001574244954	983201310	/nfs/dbraw/zinc/20/13/10/983201310.db2.gz	CDOBREBSTJNHNT-UHFFFAOYSA-N	-1	0	255.237	0.475	20	30		CCEDRM
C#C[C@H](C)NC(=O)[C@@H](CCC(=O)[O-])NC(=O)OC(C)(C)C	ZINC001588368418	983306223	/nfs/dbraw/zinc/30/62/23/983306223.db2.gz	MJEPLUPAUMHVCJ-VHSXEESVSA-N	-1	0	298.339	0.882	20	30		CCEDRM
C#C[C@H](NC(=O)C(=O)Nc1cccc(C(=O)[O-])n1)C(C)C	ZINC001588371235	983325660	/nfs/dbraw/zinc/32/56/60/983325660.db2.gz	ZPKKLMFRSWYPGC-VIFPVBQESA-N	-1	0	289.291	0.492	20	30		CCEDRM
C#C[C@H](NC(=O)N1CCC[C@H](C(=O)[O-])C1)C1CCOCC1	ZINC001588372702	983333131	/nfs/dbraw/zinc/33/31/31/983333131.db2.gz	QWBJCKVTEMFSTC-STQMWFEESA-N	-1	0	294.351	0.921	20	30		CCEDRM
C#C[C@@H](NS(=O)(=O)CC(C)(C)C(=O)[O-])[C@@H]1CCCO1	ZINC001588377243	983356120	/nfs/dbraw/zinc/35/61/20/983356120.db2.gz	JYTQJYOLBQIMIG-ZJUUUORDSA-N	-1	0	289.353	0.197	20	30		CCEDRM
C#CC1(O)CN(C(=O)c2cc(F)cc(C(=O)[O-])c2)C1	ZINC001588379774	983365802	/nfs/dbraw/zinc/36/58/02/983365802.db2.gz	QWKLIHXJYYNRLU-UHFFFAOYSA-N	-1	0	263.224	0.344	20	30		CCEDRM
C#CC1(O)CN(Cc2ccccc2O[C@@H](C)C(=O)[O-])C1	ZINC001588382290	983370503	/nfs/dbraw/zinc/37/05/03/983370503.db2.gz	LUFUQCAORXRDNA-NSHDSACASA-N	-1	0	275.304	0.718	20	30		CCEDRM
C#C[C@H]1CCCN(C(=O)CN2CCC[C@H](C(=O)[O-])C2=O)C1	ZINC001588383033	983376879	/nfs/dbraw/zinc/37/68/79/983376879.db2.gz	MRRPQQWCNXNLCO-RYUDHWBXSA-N	-1	0	292.335	0.181	20	30		CCEDRM
C#C[C@@H]1CCCN(S(=O)(=O)c2cc(C(=O)[O-])cn2C)C1	ZINC001588383344	983379701	/nfs/dbraw/zinc/37/97/01/983379701.db2.gz	WHXYKMULZAJJTH-SNVBAGLBSA-N	-1	0	296.348	0.757	20	30		CCEDRM
C#C[C@H]1COCCN1S(=O)(=O)c1occc1C(=O)[O-]	ZINC001588383736	983383688	/nfs/dbraw/zinc/38/36/88/983383688.db2.gz	JCTCCNWWBTVCLW-QMMMGPOBSA-N	-1	0	285.277	0.001	20	30		CCEDRM
C#C[C@@H]1COCCN1C(=O)CCc1ocnc1C(=O)[O-]	ZINC001588384105	983386712	/nfs/dbraw/zinc/38/67/12/983386712.db2.gz	VOIDQOKSARHWBQ-SECBINFHSA-N	-1	0	278.264	0.166	20	30		CCEDRM
C#CC[C@H](CCOC)NC(=O)N1CCO[C@H](CC(=O)[O-])C1	ZINC001588394049	983401152	/nfs/dbraw/zinc/40/11/52/983401152.db2.gz	MADMPEIXXNMGGF-VXGBXAGGSA-N	-1	0	298.339	0.300	20	30		CCEDRM
C#CC[C@@H](CO)NC(=O)N[C@H]1C[C@H]2C[C@H](C(=O)[O-])C[C@H]21	ZINC001588394791	983403755	/nfs/dbraw/zinc/40/37/55/983403755.db2.gz	PMSWRXCORUINRR-IIRVCBMXSA-N	-1	0	280.324	0.169	20	30		CCEDRM
C#CC[C@H](CCOC)NC(=O)[C@@H]1CC[C@@H]1C(=O)[O-]	ZINC001588395845	983406803	/nfs/dbraw/zinc/40/68/03/983406803.db2.gz	URTDAGXHKMKLTB-MXWKQRLJSA-N	-1	0	253.298	0.642	20	30		CCEDRM
C#CC[C@@H](NC(=O)C12CCC(C(=O)[O-])(CC1)C2)C(=O)OC	ZINC001588399185	983415422	/nfs/dbraw/zinc/41/54/22/983415422.db2.gz	RMDANKNENNJFLE-SFNBMPIDSA-N	-1	0	293.319	0.703	20	30		CCEDRM
C#CC[C@H](NC(=O)Cc1ccc(-n2cnnc2)cc1)C(=O)[O-]	ZINC001588404911	983419381	/nfs/dbraw/zinc/41/93/81/983419381.db2.gz	IGHKCNHBBUVBPT-ZDUSSCGKSA-N	-1	0	298.302	0.403	20	30		CCEDRM
C#CC[C@H](NC(=O)[C@H](CC)NC(=O)OC(C)(C)C)C(=O)[O-]	ZINC001588407998	983429758	/nfs/dbraw/zinc/42/97/58/983429758.db2.gz	ULBIOOHDPIJJHB-UWVGGRQHSA-N	-1	0	298.339	0.882	20	30		CCEDRM
C#CC[C@@H](NC(=O)c1c(C)coc1CC(=O)[O-])C(=O)OC	ZINC001588413604	983431381	/nfs/dbraw/zinc/43/13/81/983431381.db2.gz	CQJIDZUMVOMNLH-SECBINFHSA-N	-1	0	293.275	0.510	20	30		CCEDRM
C#CC[C@H](NC(=O)c1c(Cl)n[nH]c1CC)C(=O)[O-]	ZINC001588414410	983434223	/nfs/dbraw/zinc/43/42/23/983434223.db2.gz	SLARURYOJMSDSW-ZETCQYMHSA-N	-1	0	269.688	0.832	20	30		CCEDRM
C#CC[C@@H](NC(=O)c1ccc2nonc2c1)C(=O)[O-]	ZINC001588417004	983437901	/nfs/dbraw/zinc/43/79/01/983437901.db2.gz	UQBKMRLFMXANMO-SECBINFHSA-N	-1	0	259.221	0.429	20	30		CCEDRM
C#CC[C@@H](NC(=O)c1cnc2[nH]ccc2c1)C(=O)[O-]	ZINC001588417073	983438177	/nfs/dbraw/zinc/43/81/77/983438177.db2.gz	WTJBIKSIACUDFT-SNVBAGLBSA-N	-1	0	257.249	0.721	20	30		CCEDRM
C#CC[C@H](NC(=O)c1cnn(C2CC2)c1N)C(=O)[O-]	ZINC001588422537	983447340	/nfs/dbraw/zinc/44/73/40/983447340.db2.gz	ZGHOXYPMQLJJLQ-VIFPVBQESA-N	-1	0	262.269	0.007	20	30		CCEDRM
C#CC[C@H](NS(=O)(=O)c1ccc2c(c1)COC2)C(=O)[O-]	ZINC001588428326	983461357	/nfs/dbraw/zinc/46/13/57/983461357.db2.gz	KFNRHUILPSUQOZ-LBPRGKRZSA-N	-1	0	295.316	0.472	20	30		CCEDRM
C#CC[C@@H]1CCCN(C(=O)C(=O)NC[C@H]2C[C@H]2C(=O)[O-])C1	ZINC001588431116	983464617	/nfs/dbraw/zinc/46/46/17/983464617.db2.gz	GZEOHLFPHMIIIW-IJLUTSLNSA-N	-1	0	292.335	0.085	20	30		CCEDRM
C#CCC1(O)CCN(C(=O)c2cnc(C(=O)[O-])cn2)CC1	ZINC001588431488	983465030	/nfs/dbraw/zinc/46/50/30/983465030.db2.gz	JKWAYWBMURQFBQ-UHFFFAOYSA-N	-1	0	289.291	0.165	20	30		CCEDRM
C#CC[C@H]1CCN(C(=O)[C@H]2CC[C@@H](C(=O)[O-])O2)C1	ZINC001588433760	983468507	/nfs/dbraw/zinc/46/85/07/983468507.db2.gz	CJNGWVKDZNBOGG-AXFHLTTASA-N	-1	0	251.282	0.490	20	30		CCEDRM
C#CCN(CC#N)S(=O)(=O)c1cccc(CC(=O)[O-])c1	ZINC001588465878	983496942	/nfs/dbraw/zinc/49/69/42/983496942.db2.gz	LKZXRSTZWWGWJN-UHFFFAOYSA-N	-1	0	292.316	0.461	20	30		CCEDRM
C#CCN(CC#N)S(=O)(=O)c1cc(F)ccc1C(=O)[O-]	ZINC001588466106	983498306	/nfs/dbraw/zinc/49/83/06/983498306.db2.gz	VIUKOWHWYFCMTH-UHFFFAOYSA-N	-1	0	296.279	0.671	20	30		CCEDRM
C#CCN(CC)S(=O)(=O)[C@H]1CCCC[C@H]1C(=O)[O-]	ZINC001588468183	983500286	/nfs/dbraw/zinc/50/02/86/983500286.db2.gz	QNRLQHPSNCYSJL-MNOVXSKESA-N	-1	0	273.354	0.915	20	30		CCEDRM
C#CCN(CCC(C)(C)C(=O)[O-])[C@@H]1CCS(=O)(=O)C1	ZINC001588469715	983502766	/nfs/dbraw/zinc/50/27/66/983502766.db2.gz	OJNAKKNBMBFELH-LLVKDONJSA-N	-1	0	287.381	0.610	20	30		CCEDRM
C#CCNC(=O)[C@@H](C)OC(=O)/C=C\c1cc(C(=O)[O-])co1	ZINC001588479465	983519511	/nfs/dbraw/zinc/51/95/11/983519511.db2.gz	PFFISCPWVWTVJV-XRVBUDJMSA-N	-1	0	291.259	0.672	20	30		CCEDRM
C#CCNC(=O)N(C)Cc1ccc(OCC(=O)[O-])cc1	ZINC001588483931	983522405	/nfs/dbraw/zinc/52/24/05/983522405.db2.gz	NCLSONMQAFWZFA-UHFFFAOYSA-N	-1	0	276.292	0.925	20	30		CCEDRM
C#CCNC(=S)N1CCSC[C@@H](C(=O)[O-])C1	ZINC001588485563	983526156	/nfs/dbraw/zinc/52/61/56/983526156.db2.gz	XKCUOZLPAUJQIC-QMMMGPOBSA-N	-1	0	258.368	0.244	20	30		CCEDRM
C#CCO[C@@H](C)C(=O)N([C@@H](C)C(=O)[O-])C1CCC1	ZINC001588490698	983533811	/nfs/dbraw/zinc/53/38/11/983533811.db2.gz	VUJKBYKHHAMZEA-UWVGGRQHSA-N	-1	0	253.298	0.879	20	30		CCEDRM
C#CCOCCNC(=O)N[C@@H]1CCC[C@H]1CC(=O)[O-]	ZINC001588491688	983537001	/nfs/dbraw/zinc/53/70/01/983537001.db2.gz	SONKGFKXFSJQOM-WDEREUQCSA-N	-1	0	268.313	0.579	20	30		CCEDRM
C#CCn1ccc(CN(CCOC)CCC(=O)[O-])n1	ZINC001588510643	983556361	/nfs/dbraw/zinc/55/63/61/983556361.db2.gz	JIYMJDFYVKTNTN-UHFFFAOYSA-N	-1	0	265.313	0.439	20	30		CCEDRM
C#Cc1ccc(C(=O)N[C@@H](Cc2ccncc2)C(=O)[O-])nc1	ZINC001588510870	983557643	/nfs/dbraw/zinc/55/76/43/983557643.db2.gz	MWBFJCRFFTUAKQ-AWEZNQCLSA-N	-1	0	295.298	0.884	20	30		CCEDRM
C#Cc1ccc(Cn2nnnc2N2CC[C@H](C(=O)[O-])C2)cc1	ZINC001588517543	983565399	/nfs/dbraw/zinc/56/53/99/983565399.db2.gz	UOVACAZEIRJDKG-ZDUSSCGKSA-N	-1	0	297.318	0.614	20	30		CCEDRM
C#Cc1cccc(CNS(=O)(=O)CCCC(=O)[O-])c1	ZINC001588522430	983571586	/nfs/dbraw/zinc/57/15/86/983571586.db2.gz	XIMUYJMMSJUMKS-UHFFFAOYSA-N	-1	0	281.333	0.952	20	30		CCEDRM
C=C(C)[C@@H](CC(=O)NC[C@]1(C(=O)[O-])CCOC1)OCC	ZINC001588529759	983582056	/nfs/dbraw/zinc/58/20/56/983582056.db2.gz	FNNAGCVBHDFICQ-BXUZGUMPSA-N	-1	0	285.340	0.965	20	30		CCEDRM
C=C(C)C(C)(C)C(=O)NCCNC(=O)[C@H]1C[C@H]1C(=O)[O-]	ZINC001588530309	983584192	/nfs/dbraw/zinc/58/41/92/983584192.db2.gz	YYJJKESJQOLRBM-VHSXEESVSA-N	-1	0	282.340	0.542	20	30		CCEDRM
C=C(C)[C@H]1OCC[C@@H]1CNc1ccnc(C(=O)[O-])n1	ZINC001588534903	983586967	/nfs/dbraw/zinc/58/69/67/983586967.db2.gz	CYWMGTLYBUQRFD-MWLCHTKSSA-N	-1	0	263.297	0.990	20	30		CCEDRM
C=C(C)C[C@H](NC(=O)[C@H]1CCCS(=O)(=O)C1)C(=O)[O-]	ZINC001588540280	983603126	/nfs/dbraw/zinc/60/31/26/983603126.db2.gz	CDSKKQSVRQFDFI-UWVGGRQHSA-N	-1	0	289.353	0.347	20	30		CCEDRM
CCN(CC(=O)[O-])C(=O)Cc1noc(C)c1C#N	ZINC001596215902	983609102	/nfs/dbraw/zinc/60/91/02/983609102.db2.gz	MDJUTDZRWGPANF-UHFFFAOYSA-N	-1	0	251.242	0.330	20	30		CCEDRM
C=C(C)C[C@@H](NC(=O)c1cc(CO)on1)C(=O)[O-]	ZINC001588544189	983613464	/nfs/dbraw/zinc/61/34/64/983613464.db2.gz	WOGPXAWXZCUZEK-SECBINFHSA-N	-1	0	254.242	0.316	20	30		CCEDRM
C=C(C)C[C@H](NC(=O)[C@H]1C[C@@H](C(=O)[O-])C1)C(=O)OC	ZINC001588544229	983613771	/nfs/dbraw/zinc/61/37/71/983613771.db2.gz	YOHRBNYVOGYXLY-AEJSXWLSSA-N	-1	0	269.297	0.721	20	30		CCEDRM
C=C(C)CNC(=S)N1C[C@H]2COCC[C@@]2(C(=O)[O-])C1	ZINC001588570043	983650736	/nfs/dbraw/zinc/65/07/36/983650736.db2.gz	UEXKSTZXSMFQGA-GXFFZTMASA-N	-1	0	284.381	0.860	20	30		CCEDRM
C=C(C)Cn1c([C@@H](C)O)nnc1N1CC[C@](F)(C(=O)[O-])C1	ZINC001588599458	983690325	/nfs/dbraw/zinc/69/03/25/983690325.db2.gz	RCHATHBHKXVCPT-NOZJJQNGSA-N	-1	0	298.318	0.911	20	30		CCEDRM
C=C(CC)CNC(=O)C(=O)N1CCC[C@@H]1CC(=O)[O-]	ZINC001588605641	983693883	/nfs/dbraw/zinc/69/38/83/983693883.db2.gz	JQGRMJBLZJPZTA-SNVBAGLBSA-N	-1	0	268.313	0.535	20	30		CCEDRM
C=C(CCC(=O)[O-])C(=O)N(C)CC(=O)NC(C)C	ZINC001588606886	983698898	/nfs/dbraw/zinc/69/88/98/983698898.db2.gz	LIFABZMZWQAGIB-UHFFFAOYSA-N	-1	0	256.302	0.390	20	30		CCEDRM
C=C(CCC(=O)[O-])C(=O)N1CC(=O)N(C)C[C@H]1C	ZINC001588612354	983702560	/nfs/dbraw/zinc/70/25/60/983702560.db2.gz	OFGDPFIKOORUDD-SECBINFHSA-N	-1	0	254.286	0.097	20	30		CCEDRM
C=C(CCC(=O)[O-])C(=O)N1CC(OC(=O)NC(C)C)C1	ZINC001588613872	983705491	/nfs/dbraw/zinc/70/54/91/983705491.db2.gz	GIIXTYAXPGZYLL-UHFFFAOYSA-N	-1	0	284.312	0.753	20	30		CCEDRM
C=C(CCC(=O)[O-])C(=O)N1CCC2(CNC(=O)O2)CC1	ZINC001588614075	983706262	/nfs/dbraw/zinc/70/62/62/983706262.db2.gz	LGMVFRAOTSCMKZ-UHFFFAOYSA-N	-1	0	282.296	0.508	20	30		CCEDRM
C=C(CCC(=O)[O-])C(=O)N[C@@H]1CCC(=O)N(C)C1	ZINC001588621397	983718888	/nfs/dbraw/zinc/71/88/88/983718888.db2.gz	CNWHAOYRMIMPLK-SECBINFHSA-N	-1	0	254.286	0.144	20	30		CCEDRM
CCN(CCC#N)S(=O)(=O)N[C@@H]1CCC[C@@H]1C(=O)[O-]	ZINC001596300068	983728101	/nfs/dbraw/zinc/72/81/01/983728101.db2.gz	LEIVIUFZBMADHX-VHSXEESVSA-N	-1	0	289.357	0.310	20	30		CCEDRM
C=C(CCC(=O)[O-])C(=O)NCCNc1cnccn1	ZINC001588624424	983732084	/nfs/dbraw/zinc/73/20/84/983732084.db2.gz	IGBDDCKVKDADEN-UHFFFAOYSA-N	-1	0	264.285	0.426	20	30		CCEDRM
C=C(CCC(=O)[O-])C(=O)NCc1ccc(C(N)=O)nc1	ZINC001588629900	983739870	/nfs/dbraw/zinc/73/98/70/983739870.db2.gz	MNGAZTNBMKLBSK-UHFFFAOYSA-N	-1	0	277.280	0.218	20	30		CCEDRM
C=C(CCC(=O)OC)C(=O)N[C@@H](C)/C=C/C(=O)[O-]	ZINC001588632839	983746674	/nfs/dbraw/zinc/74/66/74/983746674.db2.gz	BXBLPYNUOAYRGL-CYNONHLPSA-N	-1	0	255.270	0.641	20	30		CCEDRM
C=C(CO)C(=O)N[C@@H](C(=O)[O-])c1ccccc1F	ZINC001588636997	983757881	/nfs/dbraw/zinc/75/78/81/983757881.db2.gz	BYURWMFBXYNVAF-SNVBAGLBSA-N	-1	0	253.229	0.616	20	30		CCEDRM
C=C[C@@H](C(=O)[O-])N(C)CC(=O)Nc1cc(C)ccn1	ZINC001588664842	983805708	/nfs/dbraw/zinc/80/57/08/983805708.db2.gz	XNWGLNJMLVTYSH-JTQLQIEISA-N	-1	0	263.297	0.900	20	30		CCEDRM
C=C[C@H](C(=O)[O-])n1cc(CN2CCC[C@H]2CO)nn1	ZINC001588672492	983825250	/nfs/dbraw/zinc/82/52/50/983825250.db2.gz	SXPLBYNAHSHKRJ-WDEREUQCSA-N	-1	0	266.301	0.047	20	30		CCEDRM
C=C[C@](C)(CC)C(=O)N1C[C@H](C(=O)[O-])[C@@H](C(=O)OC)C1	ZINC001588681305	983839708	/nfs/dbraw/zinc/83/97/08/983839708.db2.gz	WAMIYLPFAPHPOC-PKFCDNJMSA-N	-1	0	283.324	0.921	20	30		CCEDRM
C=C[C@@](C)(O)C(=O)N1CCC2(CC(C(=O)[O-])=NO2)CC1	ZINC001588681889	983842400	/nfs/dbraw/zinc/84/24/00/983842400.db2.gz	FWKYUQNNCBHJGK-GFCCVEGCSA-N	-1	0	282.296	0.146	20	30		CCEDRM
C=C[C@@](C)(CCOC)C(=O)N1CCC([C@@H](O)C(=O)[O-])CC1	ZINC001588682827	983845510	/nfs/dbraw/zinc/84/55/10/983845510.db2.gz	QWYAXMUTZIHZOY-DOMZBBRYSA-N	-1	0	299.367	0.899	20	30		CCEDRM
C=C[C@@](C)(O)CC(=O)NC[C@@H](CC(=O)[O-])C1CC1	ZINC001588683723	983850736	/nfs/dbraw/zinc/85/07/36/983850736.db2.gz	CSHUIXAQPUZEMJ-ZWNOBZJWSA-N	-1	0	255.314	0.931	20	30		CCEDRM
C=C[C@](C)(O)CC(=O)NCc1nc(C(=O)[O-])co1	ZINC001588683829	983852169	/nfs/dbraw/zinc/85/21/69/983852169.db2.gz	FQXAMQFWFGLSLL-NSHDSACASA-N	-1	0	254.242	0.316	20	30		CCEDRM
C=C[C@@](C)(O)CC(=O)N[C@]1(C(=O)[O-])CCSC1	ZINC001588684315	983857759	/nfs/dbraw/zinc/85/77/59/983857759.db2.gz	OPEJODDERBYKMH-GHMZBOCLSA-N	-1	0	259.327	0.390	20	30		CCEDRM
C=C[C@](C)(O)CC(=O)N1C[C@H](C)O[C@H](C(=O)[O-])C1	ZINC001588684431	983860002	/nfs/dbraw/zinc/86/00/02/983860002.db2.gz	QRWDEAAMEUUDMW-AUTRQRHGSA-N	-1	0	257.286	0.014	20	30		CCEDRM
C=C[C@@](C)(O)CC(=O)NC1(C(=O)[O-])CCSCC1	ZINC001588684547	983860788	/nfs/dbraw/zinc/86/07/88/983860788.db2.gz	SXBVYKSICGVWOX-LLVKDONJSA-N	-1	0	273.354	0.780	20	30		CCEDRM
C=C[C@H](COC)NS(=O)(=O)c1cc(C(=O)[O-])oc1C	ZINC001588692427	983881908	/nfs/dbraw/zinc/88/19/08/983881908.db2.gz	BOEBGJUVLCLAIK-MRVPVSSYSA-N	-1	0	289.309	0.766	20	30		CCEDRM
C=C[C@H](COC)NC(=O)N1CCO[C@H](CC(=O)[O-])C1	ZINC001588692739	983885678	/nfs/dbraw/zinc/88/56/78/983885678.db2.gz	JAONDUPZHOCQRM-NXEZZACHSA-N	-1	0	272.301	0.073	20	30		CCEDRM
C=C[C@H](COC)NS(=O)(=O)[C@@H]1CCCC[C@H]1C(=O)[O-]	ZINC001588692751	983886273	/nfs/dbraw/zinc/88/62/73/983886273.db2.gz	JFUTZNVOEHTHAQ-GMTAPVOTSA-N	-1	0	291.369	0.750	20	30		CCEDRM
C=C[C@H](COC)NC(=O)NCC(C)(C)CC(=O)[O-]	ZINC001588693321	983892950	/nfs/dbraw/zinc/89/29/50/983892950.db2.gz	WKKYDTYFQBDYES-SECBINFHSA-N	-1	0	258.318	0.988	20	30		CCEDRM
C=C[C@H](OC(=O)[C@H]1CCC[C@@H](C(N)=O)C1)C(=O)[O-]	ZINC001588710568	983932575	/nfs/dbraw/zinc/93/25/75/983932575.db2.gz	FKAKDOUSMWSXNN-VGMNWLOBSA-N	-1	0	255.270	0.461	20	30		CCEDRM
C=C[C@H](OC(=O)COCc1ccccn1)C(=O)[O-]	ZINC001588710849	983934286	/nfs/dbraw/zinc/93/42/86/983934286.db2.gz	JDVGKCSEPOXORV-JTQLQIEISA-N	-1	0	251.238	0.781	20	30		CCEDRM
C=C[C@@H](OC(=O)[C@@H]1COCCN1CC(F)F)C(=O)[O-]	ZINC001588710983	983935669	/nfs/dbraw/zinc/93/56/69/983935669.db2.gz	KWWHKJVMYKUNTM-JGVFFNPUSA-N	-1	0	279.239	0.135	20	30		CCEDRM
C=C[C@@H](OC(=O)c1cn2c(n1)COCC2)C(=O)[O-]	ZINC001588712578	983945351	/nfs/dbraw/zinc/94/53/51/983945351.db2.gz	MPWWFISSAKUSOP-MRVPVSSYSA-N	-1	0	252.226	0.209	20	30		CCEDRM
C=C[C@@H](OC(=O)c1cn(C2CCOCC2)nn1)C(=O)[O-]	ZINC001588713555	983949644	/nfs/dbraw/zinc/94/96/44/983949644.db2.gz	YMVJEABYGPCNFZ-SNVBAGLBSA-N	-1	0	281.268	0.426	20	30		CCEDRM
C=CC[C@H](CC)NC(=O)C(=O)N1CC[C@@H](C(=O)[O-])[C@@H]1C	ZINC001588735456	984018415	/nfs/dbraw/zinc/01/84/15/984018415.db2.gz	AERVKLVPIYPQMG-GARJFASQSA-N	-1	0	282.340	0.779	20	30		CCEDRM
C=CC[C@@H](CO)CNC(=O)NCc1ncc(C(=O)[O-])s1	ZINC001588737581	984029893	/nfs/dbraw/zinc/02/98/93/984029893.db2.gz	MRWVMKAVYYPTOQ-MRVPVSSYSA-N	-1	0	299.352	0.825	20	30		CCEDRM
C=CC[C@H](CO)CNc1ncnc(C(=O)[O-])c1OC	ZINC001588743623	984038747	/nfs/dbraw/zinc/03/87/47/984038747.db2.gz	ARXNZKWMMBJYOY-QMMMGPOBSA-N	-1	0	267.285	0.780	20	30		CCEDRM
C=CC[C@@H](OC(=O)Cc1c(C)nc(C)[nH]c1=O)C(=O)[O-]	ZINC001588753720	984088224	/nfs/dbraw/zinc/08/82/24/984088224.db2.gz	MHMJXWVZPFBVNU-SNVBAGLBSA-N	-1	0	280.280	0.914	20	30		CCEDRM
C=CC[C@H](OC(=O)c1c(C)nnn1CC)C(=O)[O-]	ZINC001588756349	984097775	/nfs/dbraw/zinc/09/77/75/984097775.db2.gz	KDYGLZOFZXMTEU-QMMMGPOBSA-N	-1	0	253.258	0.793	20	30		CCEDRM
C=CC[C@@H](OC(=O)c1cn(C)nc1COC)C(=O)[O-]	ZINC001588759461	984111421	/nfs/dbraw/zinc/11/14/21/984111421.db2.gz	UGWLDPMFKCALFG-SNVBAGLBSA-N	-1	0	268.269	0.753	20	30		CCEDRM
C=CCCC[C@@H](NC(=O)[C@H](O)CC(=O)OCC)C(=O)[O-]	ZINC001588784951	984178978	/nfs/dbraw/zinc/17/89/78/984178978.db2.gz	DOHAPFROHFMRRZ-NXEZZACHSA-N	-1	0	287.312	0.226	20	30		CCEDRM
C=CCCC[C@H](NC(=O)COCc1nncn1C)C(=O)[O-]	ZINC001588789031	984196172	/nfs/dbraw/zinc/19/61/72/984196172.db2.gz	VVGRNHGONXJEAJ-JTQLQIEISA-N	-1	0	296.327	0.257	20	30		CCEDRM
C=CCCC[C@@H](NC(=O)[C@@H]1CCOC(=O)N1)C(=O)[O-]	ZINC001588790605	984207320	/nfs/dbraw/zinc/20/73/20/984207320.db2.gz	ZUCJUWLASNNUCW-DTWKUNHWSA-N	-1	0	270.285	0.411	20	30		CCEDRM
C=CCCC[C@@H](NC(=O)[C@@H]1CC[C@H](C(=O)[O-])O1)C(=O)OC	ZINC001588794491	984227488	/nfs/dbraw/zinc/22/74/88/984227488.db2.gz	WFZNQFKLWJBICF-OUAUKWLOSA-N	-1	0	299.323	0.633	20	30		CCEDRM
C=CCCC[C@H](NS(=O)(=O)NC(C)C)C(=O)[O-]	ZINC001588798019	984232894	/nfs/dbraw/zinc/23/28/94/984232894.db2.gz	RHXZHHGYZLJGFA-VIFPVBQESA-N	-1	0	264.347	0.628	20	30		CCEDRM
C=CCCCCNC(=O)C(=O)N[C@H]1CC=C(C(=O)[O-])C1	ZINC001588802304	984248116	/nfs/dbraw/zinc/24/81/16/984248116.db2.gz	GVAZMXZSFJCKMF-NSHDSACASA-N	-1	0	280.324	0.749	20	30		CCEDRM
C=CCCCCn1nnnc1N1CC[C@](OC)(C(=O)[O-])C1	ZINC001588802422	984248748	/nfs/dbraw/zinc/24/87/48/984248748.db2.gz	LRHKPFUGXIWMSC-CYBMUJFWSA-N	-1	0	295.343	0.709	20	30		CCEDRM
C=CCCN(C)C(=O)C(=O)N1CCC[C@H]1CC(=O)[O-]	ZINC001588805640	984254550	/nfs/dbraw/zinc/25/45/50/984254550.db2.gz	IWDDZPHKVRLFAP-JTQLQIEISA-N	-1	0	268.313	0.487	20	30		CCEDRM
C=CCCO[C@H](C)C(=O)N1C[C@H](C)O[C@H](C(=O)[O-])C1	ZINC001588808529	984262351	/nfs/dbraw/zinc/26/23/51/984262351.db2.gz	GYBHRTLGJRDEPK-AXFHLTTASA-N	-1	0	271.313	0.668	20	30		CCEDRM
C=CCCOCCCCC(=O)N1CC[C@](O)(C(=O)[O-])C1	ZINC001588810318	984266284	/nfs/dbraw/zinc/26/62/84/984266284.db2.gz	ITEJKWBRORBUTH-CQSZACIVSA-N	-1	0	285.340	0.797	20	30		CCEDRM
C=CCCn1cc(C(=O)NCc2nc(C(=O)[O-])co2)nn1	ZINC001588817159	984274855	/nfs/dbraw/zinc/27/48/55/984274855.db2.gz	BENOGUOSJSFMMU-UHFFFAOYSA-N	-1	0	291.267	0.470	20	30		CCEDRM
C=CCN(C(=O)C(=O)Nc1c(C(=O)[O-])cnn1C)C(C)C	ZINC001588820280	984283591	/nfs/dbraw/zinc/28/35/91/984283591.db2.gz	ZGJRZRTYFZOWEG-UHFFFAOYSA-N	-1	0	294.311	0.480	20	30		CCEDRM
C=CCN(C1CC1)S(=O)(=O)c1cc(C(=O)[O-])[nH]n1	ZINC001588823928	984294431	/nfs/dbraw/zinc/29/44/31/984294431.db2.gz	DURJBHUICKLTHD-UHFFFAOYSA-N	-1	0	271.298	0.447	20	30		CCEDRM
C=CCN(CCOC)C(=O)C12CC(C(=O)[O-])(C1)C2	ZINC001588828736	984309297	/nfs/dbraw/zinc/30/92/97/984309297.db2.gz	LRTCYKNLIJHMRJ-UHFFFAOYSA-N	-1	0	253.298	0.902	20	30		CCEDRM
C=CCN1CC[C@@H](OC(=O)c2cc(C(=O)[O-])co2)C1=O	ZINC001588839217	984345502	/nfs/dbraw/zinc/34/55/02/984345502.db2.gz	OYVRTVBGVNYTKG-SECBINFHSA-N	-1	0	279.248	0.922	20	30		CCEDRM
C=CCN1CC[C@@H](N2CCc3[nH]nc(C(=O)[O-])c3C2)C1=O	ZINC001588839974	984351054	/nfs/dbraw/zinc/35/10/54/984351054.db2.gz	YGTIDWODCGZNIJ-LLVKDONJSA-N	-1	0	290.323	0.253	20	30		CCEDRM
C=CCNC(=O)COC(=O)[C@H]1CCCC[C@H]1C(=O)[O-]	ZINC001588844762	984360148	/nfs/dbraw/zinc/36/01/48/984360148.db2.gz	SKNURNFYSDZIRS-ZJUUUORDSA-N	-1	0	269.297	0.723	20	30		CCEDRM
C=CCNC(=O)C[S@](=O)Cc1cccc(C(=O)[O-])n1	ZINC001588844853	984360778	/nfs/dbraw/zinc/36/07/78/984360778.db2.gz	XFHACKXPQYQSJO-LJQANCHMSA-N	-1	0	282.321	0.331	20	30		CCEDRM
C=CCNC(=O)CNCc1ccccc1OCC(=O)[O-]	ZINC001588844840	984360863	/nfs/dbraw/zinc/36/08/63/984360863.db2.gz	WVRMZXAYQHNOKZ-UHFFFAOYSA-N	-1	0	278.308	0.542	20	30		CCEDRM
C=CCNc1ncc(C(=O)N[C@H]2CCO[C@H]2C(=O)[O-])s1	ZINC001588849370	984370932	/nfs/dbraw/zinc/37/09/32/984370932.db2.gz	MSINUPRTCGSJBV-IONNQARKSA-N	-1	0	297.336	0.713	20	30		CCEDRM
C=CCOC[C@H](NC(=O)CC1CSC1)C(=O)[O-]	ZINC001588854413	984390424	/nfs/dbraw/zinc/39/04/24/984390424.db2.gz	YURBWEVUCOQNIF-VIFPVBQESA-N	-1	0	259.327	0.512	20	30		CCEDRM
C=CCOC[C@H](NC(=O)/C=C/[C@H]1CCCO1)C(=O)[O-]	ZINC001588854388	984390619	/nfs/dbraw/zinc/39/06/19/984390619.db2.gz	YOGVSICRBRVLPQ-PVTPVBHGSA-N	-1	0	269.297	0.494	20	30		CCEDRM
C=CCOC[C@@H](NC(=O)COc1ccc(O)cc1)C(=O)[O-]	ZINC001588856613	984401474	/nfs/dbraw/zinc/40/14/74/984401474.db2.gz	NSMKCZOMBYGNFU-GFCCVEGCSA-N	-1	0	295.291	0.543	20	30		CCEDRM
C=CCOC[C@@H](NC(=O)c1cc(C=O)cn1C)C(=O)[O-]	ZINC001588859422	984405607	/nfs/dbraw/zinc/40/56/07/984405607.db2.gz	LDJMJWLFHNAPQY-SNVBAGLBSA-N	-1	0	280.280	0.223	20	30		CCEDRM
C=CCOC[C@H](NC(=O)c1ncc2ccccn21)C(=O)[O-]	ZINC001588860082	984410689	/nfs/dbraw/zinc/41/06/89/984410689.db2.gz	IHCYJFLLMFBRLP-NSHDSACASA-N	-1	0	289.291	0.720	20	30		CCEDRM
C=CCOC[C@@H](NC(=O)c1cn(C)nc1C)C(=O)[O-]	ZINC001588860164	984411299	/nfs/dbraw/zinc/41/12/99/984411299.db2.gz	KUHJRTJVZKKIKU-SNVBAGLBSA-N	-1	0	267.285	0.114	20	30		CCEDRM
C=CCOC[C@H](NC[C@@H]1[C@@H](C(=O)[O-])C1(F)F)C(=O)OC	ZINC001588866083	984422494	/nfs/dbraw/zinc/42/24/94/984422494.db2.gz	IZVHPJXQYFQRNN-VGMNWLOBSA-N	-1	0	293.266	0.286	20	30		CCEDRM
C=CCOC[C@H]1NC(=O)N([C@H]2CC[C@@H](C(=O)[O-])C2)C1=O	ZINC001588866793	984427885	/nfs/dbraw/zinc/42/78/85/984427885.db2.gz	QJIMVCGRJLAFLI-KXUCPTDWSA-N	-1	0	282.296	0.363	20	30		CCEDRM
C=CCOCCCC(=O)N(CC#N)CCC(=O)[O-]	ZINC001588866774	984427990	/nfs/dbraw/zinc/42/79/90/984427990.db2.gz	PRWZCUPIJRYING-UHFFFAOYSA-N	-1	0	254.286	0.796	20	30		CCEDRM
C=CCONC(=O)N1CC[C@@H](n2cc(C(=O)[O-])nn2)C1	ZINC001588868589	984433769	/nfs/dbraw/zinc/43/37/69/984433769.db2.gz	LXLZLKRNCCDYML-MRVPVSSYSA-N	-1	0	281.272	0.050	20	30		CCEDRM
C=CCn1cc(C(=O)Nc2cc(C(=O)[O-])ccn2)nn1	ZINC001588910403	984548938	/nfs/dbraw/zinc/54/89/38/984548938.db2.gz	XCVBZUIDFZWCAL-UHFFFAOYSA-N	-1	0	273.252	0.810	20	30		CCEDRM
C=C[C@@H]1OCC[C@H]1C(=O)Nc1[nH]cnc1C(=O)[O-]	ZINC001588916450	984560644	/nfs/dbraw/zinc/56/06/44/984560644.db2.gz	NABVRJMSRJYRLR-RQJHMYQMSA-N	-1	0	251.242	0.638	20	30		CCEDRM
C=C[C@@H]1OCC[C@H]1C(=O)N[C@H](C[C@@H]1CCCOC1)C(=O)[O-]	ZINC001588917007	984564673	/nfs/dbraw/zinc/56/46/73/984564673.db2.gz	KOGVCAMGGGEPHW-LOWDOPEQSA-N	-1	0	297.351	0.964	20	30		CCEDRM
C=C[C@@H]1OCC[C@H]1C(=O)N[C@](C)(C(=O)[O-])C1CC1	ZINC001588917199	984565106	/nfs/dbraw/zinc/56/51/06/984565106.db2.gz	PQPKDHUETFTGPN-NRUUGDAUSA-N	-1	0	253.298	0.947	20	30		CCEDRM
C=C[C@@H]1OCC[C@H]1CNC(=O)Nc1nn(C)cc1C(=O)[O-]	ZINC001588918119	984569919	/nfs/dbraw/zinc/56/99/19/984569919.db2.gz	YRMHQYJHMCCHRC-WPRPVWTQSA-N	-1	0	294.311	0.831	20	30		CCEDRM
C=C[C@H](CO)NC(=O)c1[nH]c(CC)c(C(=O)[O-])c1C	ZINC001588919771	984574016	/nfs/dbraw/zinc/57/40/16/984574016.db2.gz	OLQSLNPCVIUNFZ-MRVPVSSYSA-N	-1	0	266.297	0.860	20	30		CCEDRM
C=C[C@H](CO)NC(=O)NCc1cccc(OCC(=O)[O-])c1	ZINC001588920412	984577434	/nfs/dbraw/zinc/57/74/34/984577434.db2.gz	ZKMOFEFFXVMHQR-LLVKDONJSA-N	-1	0	294.307	0.496	20	30		CCEDRM
CC#CCCCC(=O)N1CC[C@@H](n2cc(C(=O)[O-])nn2)C1	ZINC001588925380	984587010	/nfs/dbraw/zinc/58/70/10/984587010.db2.gz	PYECTSNHKWEKDS-LLVKDONJSA-N	-1	0	290.323	0.943	20	30		CCEDRM
CC#CC[C@H](CO)NC(=O)[C@H]1CC[C@H](C(=O)[O-])CC1	ZINC001588926102	984591563	/nfs/dbraw/zinc/59/15/63/984591563.db2.gz	JBXRXLZKKDKOIM-IJLUTSLNSA-N	-1	0	267.325	0.768	20	30		CCEDRM
CC#CC(=O)Nc1nc(COC)c(C(=O)[O-])s1	ZINC001588926436	984593809	/nfs/dbraw/zinc/59/38/09/984593809.db2.gz	YAVYHMLCNQJOSN-UHFFFAOYSA-N	-1	0	254.267	0.950	20	30		CCEDRM
CC#CCCNC(=O)Cn1cccc(C(=O)[O-])c1=O	ZINC001588926918	984595001	/nfs/dbraw/zinc/59/50/01/984595001.db2.gz	CJOUPFCIYDUTKY-UHFFFAOYSA-N	-1	0	262.265	0.076	20	30		CCEDRM
CC#CCn1nnnc1N1CCC[C@@H](CCC(=O)[O-])C1	ZINC001588932563	984609379	/nfs/dbraw/zinc/60/93/79/984609379.db2.gz	YKFYFKHRNOOVDV-NSHDSACASA-N	-1	0	277.328	0.778	20	30		CCEDRM
C/C(=C/COC(=O)[C@@H](C)n1cnc(C#N)n1)C(=O)[O-]	ZINC001588987462	984902687	/nfs/dbraw/zinc/90/26/87/984902687.db2.gz	UKDWWYNSLHHPEH-LSFDQVSLSA-N	-1	0	264.241	0.285	20	30		CCEDRM
Cc1[nH]c(C#N)cc1C(=O)NC[C@H]1[C@@H](C(=O)[O-])C1(F)F	ZINC001599942440	985471494	/nfs/dbraw/zinc/47/14/94/985471494.db2.gz	KAAOGJLFVMPSEZ-IUCAKERBSA-N	-1	0	283.234	0.891	20	30		CCEDRM
CCO[C@H]1C[C@H]1C(=O)N1CCC(C#N)(C(=O)[O-])CC1	ZINC001596845985	985547478	/nfs/dbraw/zinc/54/74/78/985547478.db2.gz	GZZFMGVTDHYKIM-ZJUUUORDSA-N	-1	0	266.297	0.628	20	30		CCEDRM
CCOC[C@H](C(=O)[O-])N(C)C(=O)c1cccc(C#N)n1	ZINC001596878573	985743795	/nfs/dbraw/zinc/74/37/95/985743795.db2.gz	HLCXUJRBEZWQSK-LLVKDONJSA-N	-1	0	277.280	0.515	20	30		CCEDRM
Cc1c(C(=O)N[C@H](CCF)C(=O)[O-])cnn1CCC#N	ZINC001599979573	986143908	/nfs/dbraw/zinc/14/39/08/986143908.db2.gz	DFCZFVDUIJCEMN-SNVBAGLBSA-N	-1	0	282.275	0.648	20	30		CCEDRM
C[C@@H](C#N)CNS(=O)(=O)CC1(C(=O)[O-])CCCC1	ZINC001589330673	986177391	/nfs/dbraw/zinc/17/73/91/986177391.db2.gz	MWFZOVJWTDNAFM-VIFPVBQESA-N	-1	0	274.342	0.710	20	30		CCEDRM
Cc1c(C(=O)N[C@@H](C)CC(=O)[O-])cnn1CCC#N	ZINC001599982085	986178059	/nfs/dbraw/zinc/17/80/59/986178059.db2.gz	SWTRVOIBDKKXQL-QMMMGPOBSA-N	-1	0	264.285	0.698	20	30		CCEDRM
C[C@H](C#N)CNC(=O)N1C[C@H](C)[C@@](C)(C(=O)[O-])C1	ZINC001589330817	986179222	/nfs/dbraw/zinc/17/92/22/986179222.db2.gz	RFTBMLULUDQQDU-PTRXPTGYSA-N	-1	0	253.302	0.898	20	30		CCEDRM
C[C@H]1COCC[C@@H]1C(=O)N1CCC(C#N)(C(=O)[O-])CC1	ZINC001594595954	986514379	/nfs/dbraw/zinc/51/43/79/986514379.db2.gz	LYRJADAPTVDUPG-QWRGUYRKSA-N	-1	0	280.324	0.876	20	30		CCEDRM
C[C@H](C(=O)N[C@H](C(=O)[O-])C(C)(C)C)n1cnc(C#N)n1	ZINC001589423615	986681618	/nfs/dbraw/zinc/68/16/18/986681618.db2.gz	MMLFDTLQLFPDOW-VXNVDRBHSA-N	-1	0	279.300	0.326	20	30		CCEDRM
C[C@@H](C(=O)[O-])c1cccc(NC(=O)Cn2cnc(C#N)n2)c1	ZINC001589532437	987213945	/nfs/dbraw/zinc/21/39/45/987213945.db2.gz	DNBDYIMGXHRPCS-SECBINFHSA-N	-1	0	299.290	0.977	20	30		CCEDRM
CC(C)(C#N)CC(=O)OCCn1cc(C(=O)[O-])nn1	ZINC001589553897	987295244	/nfs/dbraw/zinc/29/52/44/987295244.db2.gz	MKMXBCHWHKCIPT-UHFFFAOYSA-N	-1	0	266.257	0.459	20	30		CCEDRM
CC(C)(C#N)CC(=O)NCc1ocnc1C(=O)[O-]	ZINC001589553904	987295261	/nfs/dbraw/zinc/29/52/61/987295261.db2.gz	MTVIRPJHLFAIIR-UHFFFAOYSA-N	-1	0	251.242	0.929	20	30		CCEDRM
CCc1[nH]c(CN2CCN(CC#N)CC2)cc1C(=O)[O-]	ZINC001597386036	987600025	/nfs/dbraw/zinc/60/00/25/987600025.db2.gz	BDFODTFMYFUMBE-UHFFFAOYSA-N	-1	0	276.340	0.916	20	30		CCEDRM
CC(C)(C)C#CC(=O)N1CCC([C@H](O)C(=O)[O-])CC1	ZINC001589681702	987714222	/nfs/dbraw/zinc/71/42/22/987714222.db2.gz	AFTDZEYOZSSTDP-LBPRGKRZSA-N	-1	0	267.325	0.720	20	30		CCEDRM
C[C@@H]1CN(c2ncc(C#N)cc2[N+](=O)[O-])C[C@@H](C(=O)[O-])O1	ZINC001599869181	989321569	/nfs/dbraw/zinc/32/15/69/989321569.db2.gz	UELXIVAAVIGROI-XCBNKYQSSA-N	-1	0	292.251	0.540	20	30		CCEDRM
CC(C)(CC#N)CNC(=O)N1C[C@@H](O)C[C@H](C(=O)[O-])C1	ZINC001590615216	990288139	/nfs/dbraw/zinc/28/81/39/990288139.db2.gz	OJRNLGSWPXBTED-UWVGGRQHSA-N	-1	0	283.328	0.403	20	30		CCEDRM
CC(C)(CC(=O)[O-])CC(=O)OCC(=O)NC1(C#N)CCC1	ZINC001590637745	990329051	/nfs/dbraw/zinc/32/90/51/990329051.db2.gz	VSUDDZZJJRCFMG-UHFFFAOYSA-N	-1	0	296.323	0.983	20	30		CCEDRM
CN(C)C[C@](C)(C#N)NC(=O)[C@H]1CC[C@@H](C(=O)[O-])C1	ZINC001598199705	990809903	/nfs/dbraw/zinc/80/99/03/990809903.db2.gz	PWOJTGNFBVPQCB-CWSCBRNRSA-N	-1	0	267.329	0.447	20	30		CCEDRM
CC(C)C#CC(=O)NCC(=O)N[C@@H](CC(C)C)C(=O)[O-]	ZINC001590927556	990933541	/nfs/dbraw/zinc/93/35/41/990933541.db2.gz	AUQHHURGHQEARX-NSHDSACASA-N	-1	0	282.340	0.378	20	30		CCEDRM
CC(C)C(C)(C)CS(=O)(=O)N(CC#N)CC(=O)[O-]	ZINC001590963286	991064307	/nfs/dbraw/zinc/06/43/07/991064307.db2.gz	DXNZWSBFCIXZSO-UHFFFAOYSA-N	-1	0	276.358	0.909	20	30		CCEDRM
CN(CC(C)(C)C#N)S(=O)(=O)CC1(C(=O)[O-])CC1	ZINC001598419529	991754412	/nfs/dbraw/zinc/75/44/12/991754412.db2.gz	LOSDNSCBUARGLN-UHFFFAOYSA-N	-1	0	274.342	0.663	20	30		CCEDRM
CN(CCN(C)C(=O)[C@@H]1C[C@H]1C(=O)[O-])C(=O)C#CC1CC1	ZINC001598486596	992214079	/nfs/dbraw/zinc/21/40/79/992214079.db2.gz	RSGKRVOIGXPCJQ-VXGBXAGGSA-N	-1	0	292.335	0.037	20	30		CCEDRM
CC(C)C[C@H](NC(=O)CNc1c(C#N)cnn1C)C(=O)[O-]	ZINC001591462162	992572262	/nfs/dbraw/zinc/57/22/62/992572262.db2.gz	FKWLNKBBZYDEPB-JTQLQIEISA-N	-1	0	293.327	0.319	20	30		CCEDRM
CC(C)N(CCC#N)S(=O)(=O)CC1(C(=O)[O-])CC1	ZINC001591574412	992783191	/nfs/dbraw/zinc/78/31/91/992783191.db2.gz	KJJKQVOZWKBTII-UHFFFAOYSA-N	-1	0	274.342	0.805	20	30		CCEDRM
CC(C)N(CCC#N)C(=O)Cn1ccc(C(=O)[O-])n1	ZINC001591574271	992783377	/nfs/dbraw/zinc/78/33/77/992783377.db2.gz	HIFPEDXGWSPKFU-UHFFFAOYSA-N	-1	0	264.285	0.732	20	30		CCEDRM
COc1ccc(S(=O)(=O)N[C@@H](C)C#N)c(CC(=O)[O-])c1	ZINC001599617493	994034952	/nfs/dbraw/zinc/03/49/52/994034952.db2.gz	ZCYDKZSKALTTSW-QMMMGPOBSA-N	-1	0	298.320	0.513	20	30		CCEDRM
COC(=O)[C@@H](CC(=O)[O-])NC(=O)c1cc(C#N)oc1C	ZINC001598694677	995117557	/nfs/dbraw/zinc/11/75/57/995117557.db2.gz	VAAIONJPXWYSRF-SECBINFHSA-N	-1	0	280.236	0.206	20	30		CCEDRM
COC(=O)[C@H](CC(=O)[O-])NC(=O)CC1(C#N)CCCCC1	ZINC001598695156	995125392	/nfs/dbraw/zinc/12/53/92/995125392.db2.gz	RNKGRKYORMVXPJ-JTQLQIEISA-N	-1	0	296.323	0.983	20	30		CCEDRM
C[C@@](O)(CNC(=O)c1ccsc1C#N)C(=O)[O-]	ZINC001593411705	995191322	/nfs/dbraw/zinc/19/13/22/995191322.db2.gz	MCDJMXANSFQFIW-SNVBAGLBSA-N	-1	0	254.267	0.185	20	30		CCEDRM
COC(=O)C1(NC(=O)[C@H](C)CC#N)CCC(C(=O)[O-])CC1	ZINC001598721970	995489898	/nfs/dbraw/zinc/48/98/98/995489898.db2.gz	NAWBNNPUZKZERS-NAUIOFCNSA-N	-1	0	296.323	0.839	20	30		CCEDRM
C[C@@H](OC(=O)[C@@H]1C[C@@H]1C#N)c1cn(CC(=O)[O-])nn1	ZINC001593546647	995620741	/nfs/dbraw/zinc/62/07/41/995620741.db2.gz	GFONSVDMDRSXIW-BWZBUEFSSA-N	-1	0	264.241	0.127	20	30		CCEDRM
C[C@]1(C#N)CCCN([C@H]2CCN(CCC(=O)[O-])C2=O)C1	ZINC001593743083	996365527	/nfs/dbraw/zinc/36/55/27/996365527.db2.gz	OWEMPKHATADZIJ-SMDDNHRTSA-N	-1	0	279.340	0.688	20	30		CCEDRM
C[C@@]1(C(=O)[O-])CCN(C(=O)c2cc(C#N)ccn2)C1	ZINC001593792664	996510071	/nfs/dbraw/zinc/51/00/71/996510071.db2.gz	WNMCBZODACAZNW-CYBMUJFWSA-N	-1	0	259.265	0.890	20	30		CCEDRM
COC(=O)CCCCC(=O)N(CC#N)CCC(=O)[O-]	ZINC001598851337	996606130	/nfs/dbraw/zinc/60/61/30/996606130.db2.gz	NGEUHFYPEQZRCE-UHFFFAOYSA-N	-1	0	270.285	0.547	20	30		CCEDRM
COC(=O)CCN(CC#N)Cc1cnc(C(=O)[O-])cn1	ZINC001598855116	996631552	/nfs/dbraw/zinc/63/15/52/996631552.db2.gz	PLJRUJJAOJOKOK-UHFFFAOYSA-N	-1	0	278.268	0.063	20	30		CCEDRM
COC(=O)CN(CC(=O)[O-])Cc1nc(C#N)cs1	ZINC001598862774	996688757	/nfs/dbraw/zinc/68/87/57/996688757.db2.gz	PLKZUZJDSLRYCD-UHFFFAOYSA-N	-1	0	269.282	0.074	20	30		CCEDRM
COC[C@H](NC(=O)[C@@H]1C[C@H]1c1cccc(C#N)c1)C(=O)[O-]	ZINC001599173931	996804986	/nfs/dbraw/zinc/80/49/86/996804986.db2.gz	LPGYUAMJLFAJRG-XQQFMLRXSA-N	-1	0	288.303	0.878	20	30		CCEDRM
COCC1(CS(=O)(=O)N(CC#N)CC(=O)[O-])CCC1	ZINC001599200080	997287829	/nfs/dbraw/zinc/28/78/29/997287829.db2.gz	AFZWAINQWPKMQU-UHFFFAOYSA-N	-1	0	290.341	0.043	20	30		CCEDRM
CON(C(=O)c1cc(C#N)c[nH]1)[C@H](C)CC(=O)[O-]	ZINC001599312221	997436100	/nfs/dbraw/zinc/43/61/00/997436100.db2.gz	GZKRRZRSFYLRGL-SSDOTTSWSA-N	-1	0	251.242	0.753	20	30		CCEDRM
COCC[C@@](C)(C#N)NC(=O)Cn1cc(C(=O)[O-])cn1	ZINC001599207930	997445043	/nfs/dbraw/zinc/44/50/43/997445043.db2.gz	VPNUBKIWEJSFSL-LBPRGKRZSA-N	-1	0	280.284	0.016	20	30		CCEDRM
COc1cc(CO)ccc1C(=O)N(CC#N)CCC(=O)[O-]	ZINC001599417613	997537705	/nfs/dbraw/zinc/53/77/05/997537705.db2.gz	JNODVLVKFXBVHL-UHFFFAOYSA-N	-1	0	292.291	0.628	20	30		CCEDRM
CON=CC(=O)N[C@H](CC(=O)[O-])Cc1ccccc1	ZINC001599320754	997577140	/nfs/dbraw/zinc/57/71/40/997577140.db2.gz	LMMVQJQDRIPIFM-NSHDSACASA-N	-1	0	264.281	0.821	20	30		CCEDRM
CO[C@H]1CN(C(=O)c2cc(C#N)[nH]c2C)[C@@](C)(C(=O)[O-])C1	ZINC001599129924	997923244	/nfs/dbraw/zinc/92/32/44/997923244.db2.gz	JWEZWHQGVCJDBJ-QMTHXVAHSA-N	-1	0	291.307	0.899	20	30		CCEDRM
CO[C@H]1CN(C(=O)c2cc(C#N)[nH]c2C)[C@](C)(C(=O)[O-])C1	ZINC001599129925	997923574	/nfs/dbraw/zinc/92/35/74/997923574.db2.gz	JWEZWHQGVCJDBJ-YGRLFVJLSA-N	-1	0	291.307	0.899	20	30		CCEDRM
CO[C@@H]1CN(C(=O)c2ccc(C#N)nc2)[C@](C)(C(=O)[O-])C1	ZINC001599130701	997937176	/nfs/dbraw/zinc/93/71/76/997937176.db2.gz	PYIOMVUISQSMER-FZMZJTMJSA-N	-1	0	289.291	0.657	20	30		CCEDRM
COc1cc(C#N)ccc1Cn1cnc(C(=O)[O-])n1	ZINC001599348146	998046841	/nfs/dbraw/zinc/04/68/41/998046841.db2.gz	SQQUWXHEKQVAIE-UHFFFAOYSA-N	-1	0	258.237	0.905	20	30		CCEDRM
COc1ccc(C[N@H+](CCC(=O)[O-])CC(=O)[O-])cc1C#N	ZINC001599559062	998153023	/nfs/dbraw/zinc/15/30/23/998153023.db2.gz	RERWXINOXVANBH-UHFFFAOYSA-N	-1	0	292.291	0.928	20	30		CCEDRM
COC[C@](C)(C#N)NC(=O)Cc1ccc(C(=O)[O-])nc1	ZINC001599143709	998176286	/nfs/dbraw/zinc/17/62/86/998176286.db2.gz	AEGMQHLLFHAIQJ-ZDUSSCGKSA-N	-1	0	277.280	0.367	20	30		CCEDRM
COCCO[C@H]1CCN(c2ccc(C(=O)[O-])nc2C#N)C1	ZINC001599249017	998195981	/nfs/dbraw/zinc/19/59/81/998195981.db2.gz	GMMCXZIPTIKHBL-JTQLQIEISA-N	-1	0	291.307	0.893	20	30		CCEDRM
COC[C@@](C)(CC(=O)[O-])NC(=O)c1ccc(C#N)c(O)c1	ZINC001599147701	998241918	/nfs/dbraw/zinc/24/19/18/998241918.db2.gz	PONWGRRSYWIBEK-CQSZACIVSA-N	-1	0	292.291	0.873	20	30		CCEDRM
C[C@@H]1C(=O)CC[C@@H]1CC(=O)N(CC#N)CCC(=O)[O-]	ZINC001594121260	998277971	/nfs/dbraw/zinc/27/79/71/998277971.db2.gz	CSLXNQFZGXCULV-VHSXEESVSA-N	-1	0	266.297	0.819	20	30		CCEDRM
CCCCc1cc(=NC(=O)N=c2[n-]n(C)cc2C#N)[nH][nH]1	ZINC000617277126	365588787	/nfs/dbraw/zinc/58/87/87/365588787.db2.gz	OZBYURXMYLEZKK-UHFFFAOYSA-N	-1	0	287.327	0.845	20	30		CCEDRM
CC[C@@H](CC#N)NC(=O)c1ccc([N-]S(C)(=O)=O)nc1	ZINC000599760246	361807602	/nfs/dbraw/zinc/80/76/02/361807602.db2.gz	MPQUWLPJAJRABD-JTQLQIEISA-N	-1	0	296.352	0.875	20	30		CCEDRM
Cc1ccc(C#N)cc1S(=O)(=O)NCCOCC(=O)[O-]	ZINC000093228407	349533078	/nfs/dbraw/zinc/53/30/78/349533078.db2.gz	YYKROGAZWPYWFL-UHFFFAOYSA-N	-1	0	298.320	0.246	20	30		CCEDRM
CC[C@@H](CO)NC(=O)c1cc(C#N)c(SC)[n-]c1=O	ZINC000444510546	529514438	/nfs/dbraw/zinc/51/44/38/529514438.db2.gz	NMZQXVIQUPHGNM-QMMMGPOBSA-N	-1	0	281.337	0.881	20	30		CCEDRM
N#CCc1ccccc1S(=O)(=O)N1CC[C@@H](C(=O)[O-])C1	ZINC000600940631	362095476	/nfs/dbraw/zinc/09/54/76/362095476.db2.gz	MQOMNCZMLKJAPK-LLVKDONJSA-N	-1	0	294.332	0.848	20	30		CCEDRM
Cn1[n-]c(C(=O)Nc2n[nH]c(C3CC3)c2C#N)cc1=O	ZINC000600827147	362073507	/nfs/dbraw/zinc/07/35/07/362073507.db2.gz	VTSAWOYBRMABCH-UHFFFAOYSA-N	-1	0	272.268	0.272	20	30		CCEDRM
CC1(C)CN(S(=O)(=O)CCCCC#N)[C@@H]1C(=O)[O-]	ZINC000600892243	362089578	/nfs/dbraw/zinc/08/95/78/362089578.db2.gz	JFXDMKJAHWWHAD-SECBINFHSA-N	-1	0	274.342	0.805	20	30		CCEDRM
CN(CC(=O)[O-])S(=O)(=O)c1ccc(C#N)c(F)c1	ZINC000427669240	529839892	/nfs/dbraw/zinc/83/98/92/529839892.db2.gz	XGJJAUMTEUTVON-UHFFFAOYSA-N	-1	0	272.257	0.402	20	30		CCEDRM
C[C@@H]1CN(S(=O)(=O)c2ncc[n-]2)C[C@H](C)N1CC#N	ZINC000601492975	362290005	/nfs/dbraw/zinc/29/00/05/362290005.db2.gz	WJLYOMOLQMAZMX-AOOOYVTPSA-N	-1	0	283.357	0.017	20	30		CCEDRM
C[C@H](NS(=O)(=O)CC1(C#N)CC1)[C@H](O)C(F)(F)F	ZINC000601524643	362300579	/nfs/dbraw/zinc/30/05/79/362300579.db2.gz	UXJYSYPHTMWOCN-BQBZGAKWSA-N	-1	0	286.275	0.521	20	30		CCEDRM
COC(=O)CCCO[N-]C(=O)COc1ccccc1C#N	ZINC000290631972	197771231	/nfs/dbraw/zinc/77/12/31/197771231.db2.gz	MHXLEVLMTHCYBW-UHFFFAOYSA-N	-1	0	292.291	0.938	20	30		CCEDRM
N#Cc1c[n-][nH]c1=NC(=O)[C@H]1CCCN1Cc1ccccn1	ZINC000601640692	362337544	/nfs/dbraw/zinc/33/75/44/362337544.db2.gz	KQHIMVVQHVUMIA-CYBMUJFWSA-N	-1	0	296.334	0.701	20	30		CCEDRM
COCC(COC)n1[n-]c(C)c(CCC#N)c1=O	ZINC000601956079	362437562	/nfs/dbraw/zinc/43/75/62/362437562.db2.gz	XRIZCXFSRIYVFE-NSHDSACASA-N	-1	0	253.302	0.786	20	30		CCEDRM
C[C@@H]1CCCCCN1C(=O)Cn1cc(C#N)c(=O)[n-]c1=O	ZINC000602099311	362486976	/nfs/dbraw/zinc/48/69/76/362486976.db2.gz	ZHHIRDWLVCRXJG-SNVBAGLBSA-N	-1	0	290.323	0.612	20	30		CCEDRM
C[C@H]1CC[C@H](C)N(C(=O)Cn2cc(C#N)c(=O)[n-]c2=O)C1	ZINC000602109566	362494349	/nfs/dbraw/zinc/49/43/49/362494349.db2.gz	SGJJTDBJOQFKPU-UWVGGRQHSA-N	-1	0	290.323	0.468	20	30		CCEDRM
N#Cc1cn(CC(=O)N2C[C@@H]3CCC[C@H]3C2)c(=O)[n-]c1=O	ZINC000602118358	362500767	/nfs/dbraw/zinc/50/07/67/362500767.db2.gz	KRXXVSZNMOZYCF-UWVGGRQHSA-N	-1	0	288.307	0.079	20	30		CCEDRM
N#Cc1cn(CCC(=O)N2CCC[C@H](F)C2)c(=O)[n-]c1=O	ZINC000602176205	362544242	/nfs/dbraw/zinc/54/42/42/362544242.db2.gz	DFKNOVOUXOXCDW-JTQLQIEISA-N	-1	0	294.286	0.171	20	30		CCEDRM
Cc1c(C#N)c(=NC(=O)[C@@H]2C[C@H](C)O[C@@H]2C)[n-]n1C	ZINC000602347558	362593684	/nfs/dbraw/zinc/59/36/84/362593684.db2.gz	HZGIDGCMVGCDFI-FXBDTBDDSA-N	-1	0	262.313	0.774	20	30		CCEDRM
C[C@](O)(CNc1ccc([N+](=O)[O-])cc1C#N)C(=O)[O-]	ZINC000263557196	137068597	/nfs/dbraw/zinc/06/85/97/137068597.db2.gz	PDDJMVRJWJMGME-NSHDSACASA-N	-1	0	265.225	0.714	20	30		CCEDRM
Cc1nc([N-]S(=O)(=O)c2ccc(C#N)o2)no1	ZINC000342490069	137097413	/nfs/dbraw/zinc/09/74/13/137097413.db2.gz	LLMNTJJQJAMBLV-UHFFFAOYSA-N	-1	0	254.227	0.644	20	30		CCEDRM
Cc1ncc([N-]S(=O)(=O)c2ccc(C#N)nc2)cn1	ZINC000343262849	137123364	/nfs/dbraw/zinc/12/33/64/137123364.db2.gz	GECMZJDXUQIESE-UHFFFAOYSA-N	-1	0	275.293	0.853	20	30		CCEDRM
Cn1cc(C#N)cc1C(=O)N=c1ncn(C(C)(C)C)[n-]1	ZINC000344052113	137175463	/nfs/dbraw/zinc/17/54/63/137175463.db2.gz	RLZSEZCXQPRUSX-UHFFFAOYSA-N	-1	0	272.312	0.917	20	30		CCEDRM
C=C[C@@H](C(=O)OC)N1CCC(c2n[n-]c(=N)o2)CC1	ZINC000602872422	362853988	/nfs/dbraw/zinc/85/39/88/362853988.db2.gz	XWQBGFYOLIGAHM-VIFPVBQESA-N	-1	0	266.301	0.389	20	30		CCEDRM
CC(C)n1cc(C#N)c(=NC(=O)c2cccn(C)c2=O)[n-]1	ZINC000345176209	137238028	/nfs/dbraw/zinc/23/80/28/137238028.db2.gz	YHXGHTWKBXGVBP-UHFFFAOYSA-N	-1	0	285.307	0.709	20	30		CCEDRM
Cn1cc(C#N)c(=NC(=O)NC[C@@H]2CCOC2(C)C)[n-]1	ZINC000602889179	362867478	/nfs/dbraw/zinc/86/74/78/362867478.db2.gz	XZGYMWZJOFARTM-JTQLQIEISA-N	-1	0	277.328	0.650	20	30		CCEDRM
CC[C@@H]1[C@H](CO)CCN1C(=O)N=c1[n-]n(C)cc1C#N	ZINC000602880233	362860527	/nfs/dbraw/zinc/86/05/27/362860527.db2.gz	JSHROVSOKFMRPH-GXSJLCMTSA-N	-1	0	277.328	0.338	20	30		CCEDRM
COCc1nc(=NC(=O)c2ccc(C#N)[nH]2)s[n-]1	ZINC000345741044	137249463	/nfs/dbraw/zinc/24/94/63/137249463.db2.gz	SRMBMSOMOPPLHY-UHFFFAOYSA-N	-1	0	263.282	0.558	20	30		CCEDRM
Cn1cc(C#N)c(=NC(=O)C(=O)c2ccc(F)cc2)[n-]1	ZINC000347554952	137342466	/nfs/dbraw/zinc/34/24/66/137342466.db2.gz	DKEGRHCVFSARGD-UHFFFAOYSA-N	-1	0	272.239	0.674	20	30		CCEDRM
C[C@H](C(=O)[O-])N(C)S(=O)(=O)c1ccccc1C#N	ZINC000054053332	348539382	/nfs/dbraw/zinc/53/93/82/348539382.db2.gz	IGGCQYXIXFUOSM-MRVPVSSYSA-N	-1	0	268.294	0.652	20	30		CCEDRM
N#Cc1ccc(C(=O)N[C@]2(C(=O)[O-])CCOC2)cc1	ZINC000085850674	349335522	/nfs/dbraw/zinc/33/55/22/349335522.db2.gz	FIPAQRYJHJDHMH-CYBMUJFWSA-N	-1	0	260.249	0.532	20	30		CCEDRM
Cn1cnnc1NC(=O)COc1ccc(C#N)cc1	ZINC000127069941	350160404	/nfs/dbraw/zinc/16/04/04/350160404.db2.gz	PGXXIHXZLHRPRL-UHFFFAOYSA-N	-1	0	257.253	0.704	20	30		CCEDRM
Cn1cc(C#N)c([N-]S(=O)(=O)c2cncc(F)c2)n1	ZINC000134978869	350380924	/nfs/dbraw/zinc/38/09/24/350380924.db2.gz	DFLNVCVAHQPVLB-UHFFFAOYSA-N	-1	0	281.272	0.627	20	30		CCEDRM
C[C@@H](C#N)CN(C)C(=O)NCC1(C(=O)[O-])CCOCC1	ZINC000166142668	350796933	/nfs/dbraw/zinc/79/69/33/350796933.db2.gz	DUDGDGOIMJYQNF-JTQLQIEISA-N	-1	0	283.328	0.669	20	30		CCEDRM
N#Cc1ccc(S(=O)(=O)NC2(C(=O)[O-])CCC2)cc1F	ZINC000291946203	198113271	/nfs/dbraw/zinc/11/32/71/198113271.db2.gz	YWCQCIUQESNCJX-UHFFFAOYSA-N	-1	0	298.295	0.983	20	30		CCEDRM
CO[C@@H](CNC(=O)[C@H](C)Oc1ccccc1C#N)C(=O)[O-]	ZINC000227261690	352041381	/nfs/dbraw/zinc/04/13/81/352041381.db2.gz	VTHMSMSDCCRQIC-CABZTGNLSA-N	-1	0	292.291	0.541	20	30		CCEDRM
C=CCCOCCNS(=O)(=O)CCCC(=O)[O-]	ZINC000231791700	352134672	/nfs/dbraw/zinc/13/46/72/352134672.db2.gz	HIOMXRYYBLGJOI-UHFFFAOYSA-N	-1	0	265.331	0.363	20	30		CCEDRM
C=CCSCCNC(=O)NCCOCC(=O)[O-]	ZINC000231958221	352138995	/nfs/dbraw/zinc/13/89/95/352138995.db2.gz	GDJKCVZAPSWTSU-UHFFFAOYSA-N	-1	0	262.331	0.306	20	30		CCEDRM
C#CCCCN1[N-]S(=O)(=O)c2ccccc2C1=O	ZINC000270862237	352996765	/nfs/dbraw/zinc/99/67/65/352996765.db2.gz	KBODTSUKHULVKI-UHFFFAOYSA-N	-1	0	264.306	0.749	20	30		CCEDRM
C=CCCS(=O)(=O)NCc1ccc(C(=O)[O-])o1	ZINC000275011428	353179535	/nfs/dbraw/zinc/17/95/35/353179535.db2.gz	NIHQILFZGVKQFD-UHFFFAOYSA-N	-1	0	259.283	0.973	20	30		CCEDRM
CC#CC[C@H](NS(=O)(=O)c1ccc(N)cc1)C(=O)[O-]	ZINC000275052095	353181997	/nfs/dbraw/zinc/18/19/97/353181997.db2.gz	SNQAMHRWGFWRRC-NSHDSACASA-N	-1	0	282.321	0.414	20	30		CCEDRM
Cc1cc(C#N)nc(N2CCC[C@H](c3nc(=O)[n-][nH]3)C2)n1	ZINC000286573104	353596477	/nfs/dbraw/zinc/59/64/77/353596477.db2.gz	VVDLKRKOQBAQKQ-VIFPVBQESA-N	-1	0	285.311	0.452	20	30		CCEDRM
C[C@H](NS(=O)(=O)Cc1cc(C#N)ccc1F)C(=O)[O-]	ZINC000362112440	138047363	/nfs/dbraw/zinc/04/73/63/138047363.db2.gz	RCHNRNUDYIUKFJ-ZETCQYMHSA-N	-1	0	286.284	0.590	20	30		CCEDRM
C=CCn1c(SCc2ncnn2C)n[n-]c1=N	ZINC000361446849	357048516	/nfs/dbraw/zinc/04/85/16/357048516.db2.gz	GGEWUWAHUOSFRO-UHFFFAOYSA-N	-1	0	251.319	0.297	20	30		CCEDRM
CCO[C@H]1CCCN(C(=O)N=c2[n-]n(C)cc2C#N)C1	ZINC000610527791	363572483	/nfs/dbraw/zinc/57/24/83/363572483.db2.gz	JIJMQSHXUGEAMW-NSHDSACASA-N	-1	0	277.328	0.746	20	30		CCEDRM
CCOCCCNC(=O)N=c1[n-]n(C)cc1C#N	ZINC000610527980	363572799	/nfs/dbraw/zinc/57/27/99/363572799.db2.gz	DHPJMSHEXPDABT-UHFFFAOYSA-N	-1	0	251.290	0.262	20	30		CCEDRM
C[C@@H](Cn1cccn1)NC(=O)N=c1[n-]n(C)cc1C#N	ZINC000610561831	363576904	/nfs/dbraw/zinc/57/69/04/363576904.db2.gz	RYCZSHNWWANXTD-VIFPVBQESA-N	-1	0	273.300	0.120	20	30		CCEDRM
Cc1cnc(CNC(=O)N=c2[n-]n(C)cc2C#N)s1	ZINC000610565084	363579427	/nfs/dbraw/zinc/57/94/27/363579427.db2.gz	VYLWNFWRPHPCLK-UHFFFAOYSA-N	-1	0	276.325	0.800	20	30		CCEDRM
CN(C[C@@H]1CCOC1)C(=O)N=c1[n-]n(C)cc1C#N	ZINC000610564943	363579707	/nfs/dbraw/zinc/57/97/07/363579707.db2.gz	UIWVYJNIFJXVKE-VIFPVBQESA-N	-1	0	263.301	0.214	20	30		CCEDRM
Cc1noc(CCCNC(=O)N=c2[n-]n(C)cc2C#N)n1	ZINC000610564716	363579825	/nfs/dbraw/zinc/57/98/25/363579825.db2.gz	UWDWHMMDRIKNEA-UHFFFAOYSA-N	-1	0	289.299	0.159	20	30		CCEDRM
C[C@H](CCNS(=O)(=O)N(C)[C@@H](C)CC#N)CC(=O)[O-]	ZINC000574457406	359039525	/nfs/dbraw/zinc/03/95/25/359039525.db2.gz	OIHYUJJGXPKYQF-ZJUUUORDSA-N	-1	0	291.373	0.556	20	30		CCEDRM
N#Cc1ccc(S(=O)(=O)N2C[C@@H]3C[C@]3(C(=O)[O-])C2)o1	ZINC000573737807	358994754	/nfs/dbraw/zinc/99/47/54/358994754.db2.gz	AHTYLTVFJGLPGK-CPCISQLKSA-N	-1	0	282.277	0.246	20	30		CCEDRM
Cn1cc(C#N)c(=NC(=O)N2CC[C@H]([C@@H]3CCOC3)C2)[n-]1	ZINC000611007142	363647701	/nfs/dbraw/zinc/64/77/01/363647701.db2.gz	MVGGKGAKIVIRAB-WDEREUQCSA-N	-1	0	289.339	0.604	20	30		CCEDRM
COCc1cncc(C(=O)N=c2[nH][n-]c(C)c2C#N)c1	ZINC000588716028	359333067	/nfs/dbraw/zinc/33/30/67/359333067.db2.gz	HVEIDHINFZIJNN-UHFFFAOYSA-N	-1	0	271.280	0.805	20	30		CCEDRM
Cc1[n-][nH]c(=NC(=O)[C@@H](C)N2CCSCC2)c1C#N	ZINC000588717814	359333679	/nfs/dbraw/zinc/33/36/79/359333679.db2.gz	DVTJGVJVCYVCBE-SECBINFHSA-N	-1	0	279.369	0.388	20	30		CCEDRM
CC(C)[C@@H](O)C(C)(C)CNC(=O)N=c1[n-]n(C)cc1C#N	ZINC000611097959	363659614	/nfs/dbraw/zinc/65/96/14/363659614.db2.gz	PMDCLMQPRCKTRK-LLVKDONJSA-N	-1	0	293.371	0.878	20	30		CCEDRM
CCOCC(C)(C)NC(=O)N=c1[n-]n(C)cc1C#N	ZINC000590819573	359527507	/nfs/dbraw/zinc/52/75/07/359527507.db2.gz	NFOODAHZFZVFDP-UHFFFAOYSA-N	-1	0	265.317	0.650	20	30		CCEDRM
Cn1cc(C#N)c(=NC(=O)N[C@@H]2COCC2(C)C)[n-]1	ZINC000590819893	359527679	/nfs/dbraw/zinc/52/76/79/359527679.db2.gz	ZKVHRUGSMJXAED-SECBINFHSA-N	-1	0	263.301	0.260	20	30		CCEDRM
CC1(C)CCN(S(=O)(=O)CC2(C#N)CC2)[C@@H]1C(=O)[O-]	ZINC000591244277	359572756	/nfs/dbraw/zinc/57/27/56/359572756.db2.gz	ZVKABAGQOPKAEP-SECBINFHSA-N	-1	0	286.353	0.805	20	30		CCEDRM
N#Cc1nc(N2CCO[C@@H](C(=O)[O-])C2)ccc1Cl	ZINC000591325386	359577413	/nfs/dbraw/zinc/57/74/13/359577413.db2.gz	KEEMJDJYNCQNHN-SECBINFHSA-N	-1	0	267.672	0.896	20	30		CCEDRM
C[C@@]1(C#N)CCCN(C(=O)C(=O)N2CC[C@@H](C(=O)[O-])C2)C1	ZINC000591568487	359600126	/nfs/dbraw/zinc/60/01/26/359600126.db2.gz	NSSUQTQYIXRPNU-YGRLFVJLSA-N	-1	0	293.323	0.072	20	30		CCEDRM
C[C@H](Oc1ccc(C#N)cc1)C(=O)N=c1cc(C(N)=O)[n-][nH]1	ZINC000611141708	363664614	/nfs/dbraw/zinc/66/46/14/363664614.db2.gz	UXTLXCBQWHCMNP-QMMMGPOBSA-N	-1	0	299.290	0.208	20	30		CCEDRM
CC#CC[C@H](CO)N=c1[n-]c(C(=O)OC)c(C)s1	ZINC000592000788	359725127	/nfs/dbraw/zinc/72/51/27/359725127.db2.gz	WPZJDQKMVHSJHD-SECBINFHSA-N	-1	0	268.338	0.846	20	30		CCEDRM
CCOC(=O)CC[C@@H](C)NC(=O)N=c1[n-]n(C)cc1C#N	ZINC000611169558	363669211	/nfs/dbraw/zinc/66/92/11/363669211.db2.gz	XGLYVDKDZQARQP-SECBINFHSA-N	-1	0	293.327	0.567	20	30		CCEDRM
Cn1nccc1[C@@H](NCc1ccc(C#N)o1)C(=O)[O-]	ZINC000592423940	359835841	/nfs/dbraw/zinc/83/58/41/359835841.db2.gz	UKTNTMFWUHVUAK-LLVKDONJSA-N	-1	0	260.253	0.800	20	30		CCEDRM
Cc1c(C#N)c(=NC(=O)[C@@H](C)Oc2cccnc2)[n-]n1C	ZINC000592646542	359908108	/nfs/dbraw/zinc/90/81/08/359908108.db2.gz	PZTAJSSILKGNKB-SNVBAGLBSA-N	-1	0	285.307	0.823	20	30		CCEDRM
Cn1nnc2c1CC[C@H](NC(=O)c1ccc(C#N)c(O)c1)C2	ZINC000594402098	360294196	/nfs/dbraw/zinc/29/41/96/360294196.db2.gz	QHHIZQQMMHSAEY-NSHDSACASA-N	-1	0	297.318	0.680	20	30		CCEDRM
CCN(C[C@@H](C)C#N)S(=O)(=O)N[C@H](CCF)C(=O)[O-]	ZINC000594573222	360332876	/nfs/dbraw/zinc/33/28/76/360332876.db2.gz	LDXXSBATCNIHGN-DTWKUNHWSA-N	-1	0	295.336	0.115	20	30		CCEDRM
Cn1cc(C#N)c(=NC(=O)N[C@H]2CCCOCC2)[n-]1	ZINC000611453436	363719559	/nfs/dbraw/zinc/71/95/59/363719559.db2.gz	JPXWXDCANLHNHK-JTQLQIEISA-N	-1	0	263.301	0.404	20	30		CCEDRM
Cc1nc(NC(=O)C(=O)NC[C@H](C)C(=O)[O-])ccc1C#N	ZINC000594526603	360325322	/nfs/dbraw/zinc/32/53/22/360325322.db2.gz	CWXABRLSQFNABI-ZETCQYMHSA-N	-1	0	290.279	0.037	20	30		CCEDRM
CC(C)[C@H](CNC(=O)C(=O)NCCCCC#N)C(=O)[O-]	ZINC000594530003	360326529	/nfs/dbraw/zinc/32/65/29/360326529.db2.gz	ORPJSIPPZBOZND-JTQLQIEISA-N	-1	0	283.328	0.269	20	30		CCEDRM
C=CCCSCCNC(=O)N[C@H](COC)C(=O)[O-]	ZINC000594690568	360360087	/nfs/dbraw/zinc/36/00/87/360360087.db2.gz	LPGYMRUPJLNDGF-SECBINFHSA-N	-1	0	276.358	0.695	20	30		CCEDRM
C[C@H](C#N)C[N-]S(=O)(=O)c1ncccc1[N+](=O)[O-]	ZINC000594756460	360376924	/nfs/dbraw/zinc/37/69/24/360376924.db2.gz	GSCMAVBNEPHVSJ-SSDOTTSWSA-N	-1	0	270.270	0.428	20	30		CCEDRM
CC12CC(C(=O)[O-])(C1)N(S(=O)(=O)c1ccc(C#N)o1)C2	ZINC000594671846	360358114	/nfs/dbraw/zinc/35/81/14/360358114.db2.gz	CPMOUIKFDAPDNK-UHFFFAOYSA-N	-1	0	296.304	0.779	20	30		CCEDRM
N#CC1(CS(=O)(=O)N2CC3(CCCC3)[C@@H]2C(=O)[O-])CC1	ZINC000594674859	360358453	/nfs/dbraw/zinc/35/84/53/360358453.db2.gz	NYCFBDGNRFUCOR-JTQLQIEISA-N	-1	0	298.364	0.949	20	30		CCEDRM
N#Cc1sccc1S(=O)(=O)N1CC[C@@H](C(=O)[O-])C1	ZINC000594683289	360359341	/nfs/dbraw/zinc/35/93/41/360359341.db2.gz	WPGZOSRSISRBEC-SSDOTTSWSA-N	-1	0	286.334	0.715	20	30		CCEDRM
CC#CC[C@H](NS(=O)(=O)N(CC)CC)C(=O)[O-]	ZINC000275051982	192894355	/nfs/dbraw/zinc/89/43/55/192894355.db2.gz	SLDLWEQVQVHURD-VIFPVBQESA-N	-1	0	262.331	0.029	20	30		CCEDRM
C[C@@](O)(CNc1nc(C#N)c(Cl)s1)C(=O)[O-]	ZINC000595967718	360742901	/nfs/dbraw/zinc/74/29/01/360742901.db2.gz	CLJGNDKHFAITKP-MRVPVSSYSA-N	-1	0	261.690	0.338	20	30		CCEDRM
N#CCC1(CS(=O)(=O)N2CC3(CCC3)[C@@H]2C(=O)[O-])CC1	ZINC000596034562	360779391	/nfs/dbraw/zinc/77/93/91/360779391.db2.gz	KNYYZNBSNAWQQE-JTQLQIEISA-N	-1	0	298.364	0.949	20	30		CCEDRM
N#Cc1nc(NCCc2n[n-]c(=N)o2)sc1Cl	ZINC000596201665	360832470	/nfs/dbraw/zinc/83/24/70/360832470.db2.gz	BQXREMRVLSVXKA-UHFFFAOYSA-N	-1	0	270.705	0.540	20	30		CCEDRM
CO[C@](C)(CO)CN=c1[n-]c(C#N)c(Cl)s1	ZINC000596291113	360871562	/nfs/dbraw/zinc/87/15/62/360871562.db2.gz	GUKYTALJVXXCQA-VIFPVBQESA-N	-1	0	261.734	0.899	20	30		CCEDRM
N#C[C@@H]1CN(C(=O)NC[C@H](C(=O)[O-])C2CCC2)CCO1	ZINC000596650134	360936826	/nfs/dbraw/zinc/93/68/26/360936826.db2.gz	KXYKIOIJZBDZFR-MNOVXSKESA-N	-1	0	281.312	0.421	20	30		CCEDRM
CC1(C#N)CN(C(=O)c2cc(S(N)(=O)=O)ccc2[O-])C1	ZINC000597605325	361158331	/nfs/dbraw/zinc/15/83/31/361158331.db2.gz	UTFAASACGNEZMO-UHFFFAOYSA-N	-1	0	295.320	0.025	20	30		CCEDRM
C[C@@]1(C#N)CCN(C(=O)CSc2n[nH]c(=O)[n-]2)C1	ZINC000598415385	361407258	/nfs/dbraw/zinc/40/72/58/361407258.db2.gz	PNAPFLMHHYWDLL-JTQLQIEISA-N	-1	0	267.314	0.365	20	30		CCEDRM
CC1CC(C#N)(C(=O)N(C)Cc2n[n-]c(=O)o2)C1	ZINC000598744180	361506243	/nfs/dbraw/zinc/50/62/43/361506243.db2.gz	GOOZDPWLJHCVNW-UHFFFAOYSA-N	-1	0	250.258	0.673	20	30		CCEDRM
N#Cc1ccc(S(=O)(=O)N2CC[C@H]2C(=O)[O-])c(F)c1	ZINC000564621094	291288691	/nfs/dbraw/zinc/28/86/91/291288691.db2.gz	CQYQRPRCMBEPSL-VIFPVBQESA-N	-1	0	284.268	0.545	20	30		CCEDRM
CC(C)OC(=O)CCCNC(=O)N=c1[n-]n(C)cc1C#N	ZINC000613205002	364156919	/nfs/dbraw/zinc/15/69/19/364156919.db2.gz	FCUZNMKYCMUJGR-UHFFFAOYSA-N	-1	0	293.327	0.567	20	30		CCEDRM
C=CCCN(C)C(=O)C(=O)NC[C@@H](C(=O)[O-])C(C)C	ZINC000656010718	412732311	/nfs/dbraw/zinc/73/23/11/412732311.db2.gz	PKZKVIWDCJSUFE-SNVBAGLBSA-N	-1	0	270.329	0.494	20	30		CCEDRM
CN(CCC#N)S(=O)(=O)N1CCC[C@@H]1CC(=O)[O-]	ZINC000614382044	364589387	/nfs/dbraw/zinc/58/93/87/364589387.db2.gz	HURIYLSQVYUCLR-SECBINFHSA-N	-1	0	275.330	0.016	20	30		CCEDRM
CC[C@]1(CO)CCCN1C(=O)N=c1[n-]n(C)cc1C#N	ZINC000615253026	364896515	/nfs/dbraw/zinc/89/65/15/364896515.db2.gz	BICXPYITKKDDRU-CYBMUJFWSA-N	-1	0	277.328	0.482	20	30		CCEDRM
CN(CC(F)(F)F)C(=O)N=c1[n-]n(C)cc1C#N	ZINC000615539447	364997994	/nfs/dbraw/zinc/99/79/94/364997994.db2.gz	YKMGROAENYHVJL-UHFFFAOYSA-N	-1	0	261.207	0.740	20	30		CCEDRM
C=CCCS(=O)(=O)N(CCOCC)C[C@@H](C)C(=O)[O-]	ZINC000275369585	193012286	/nfs/dbraw/zinc/01/22/86/193012286.db2.gz	WBEGMBPRTIGAGH-LLVKDONJSA-N	-1	0	293.385	0.952	20	30		CCEDRM
Cn1nncc1S(=O)(=O)[N-]c1ccc(C#N)cc1	ZINC000616175469	365202327	/nfs/dbraw/zinc/20/23/27/365202327.db2.gz	WOSQVIKVHCPSCN-UHFFFAOYSA-N	-1	0	263.282	0.488	20	30		CCEDRM
C=CC(C)(C)CNC(=O)c1c[n-]n2c1nccc2=O	ZINC000622088062	367017661	/nfs/dbraw/zinc/01/76/61/367017661.db2.gz	CBWOZICVIPDWMJ-UHFFFAOYSA-N	-1	0	260.297	0.965	20	30		CCEDRM
CN(C)c1cnc(C(=O)N=c2[nH][n-]c(C3CC3)c2C#N)cn1	ZINC000566471025	291414174	/nfs/dbraw/zinc/41/41/74/291414174.db2.gz	QSGBRDXYIHEJCD-UHFFFAOYSA-N	-1	0	297.322	0.689	20	30		CCEDRM
C=C[C@@H](C)NC(=O)c1ccc([N-]S(C)(=O)=O)nc1	ZINC000626066540	368419177	/nfs/dbraw/zinc/41/91/77/368419177.db2.gz	KJEXRIJJLMEQQW-MRVPVSSYSA-N	-1	0	269.326	0.757	20	30		CCEDRM
C=CC[C@H]1CCN(C(=O)C(=O)NC[C@@H](C)C(=O)[O-])C1	ZINC000627279414	368942295	/nfs/dbraw/zinc/94/22/95/368942295.db2.gz	MPGDIVOMORNEIW-ZJUUUORDSA-N	-1	0	268.313	0.248	20	30		CCEDRM
C=CC[C@H]1CCN(C(=O)C(=O)N(C)CCC(=O)[O-])C1	ZINC000629778811	369773820	/nfs/dbraw/zinc/77/38/20/369773820.db2.gz	GPKGTTWHISOWSU-JTQLQIEISA-N	-1	0	268.313	0.344	20	30		CCEDRM
C=CCOC[C@@H](NC(=O)[C@]12CCC[C@H]1OCC2)C(=O)[O-]	ZINC000630186989	369995786	/nfs/dbraw/zinc/99/57/86/369995786.db2.gz	GBYORCJIFKQRLS-GYSYKLTISA-N	-1	0	283.324	0.718	20	30		CCEDRM
C=CCOC[C@H](NC(=O)c1cnc2n1CCC2)C(=O)[O-]	ZINC000630188032	369997480	/nfs/dbraw/zinc/99/74/80/369997480.db2.gz	TWIBXTCULJKIKP-VIFPVBQESA-N	-1	0	279.296	0.215	20	30		CCEDRM
C=CCOCCNC(=O)c1cc(C(=O)[O-])nn1C	ZINC000630211840	370010837	/nfs/dbraw/zinc/01/08/37/370010837.db2.gz	POHNXXKTWBWDPK-UHFFFAOYSA-N	-1	0	253.258	0.051	20	30		CCEDRM
C=CCn1cc(C(=O)N[C@@H](CC(=C)C)C(=O)[O-])nn1	ZINC000630321603	370047020	/nfs/dbraw/zinc/04/70/20/370047020.db2.gz	KHJUMOLGMFWBHM-VIFPVBQESA-N	-1	0	264.285	0.613	20	30		CCEDRM
C=C(C)[C@@H]1OCC[C@H]1CNC(=O)c1cnc(C(=O)[O-])cn1	ZINC000630303452	370037817	/nfs/dbraw/zinc/03/78/17/370037817.db2.gz	XZONAOOQIUIVCV-CABZTGNLSA-N	-1	0	291.307	0.886	20	30		CCEDRM
C=C(C)C[C@H](NC(=O)c1cc(C)n(C)n1)C(=O)[O-]	ZINC000630327319	370048014	/nfs/dbraw/zinc/04/80/14/370048014.db2.gz	ZDUHKENPOUSRHI-JTQLQIEISA-N	-1	0	251.286	0.878	20	30		CCEDRM
C=CCCCS(=O)(=O)NC[C@]1(C(=O)[O-])CCCOC1	ZINC000630433675	370113519	/nfs/dbraw/zinc/11/35/19/370113519.db2.gz	VSILSQOETDSLPK-GFCCVEGCSA-N	-1	0	291.369	0.753	20	30		CCEDRM
C=C(C)C[C@@H](NS(=O)(=O)N1CCC[C@@H](C)C1)C(=O)[O-]	ZINC000630438564	370117141	/nfs/dbraw/zinc/11/71/41/370117141.db2.gz	RRSMYLBONJTRNP-GHMZBOCLSA-N	-1	0	290.385	0.972	20	30		CCEDRM
C=CCCNC(=O)N1C[C@@H](OC)C[C@@]1(C)C(=O)[O-]	ZINC000630481008	370130012	/nfs/dbraw/zinc/13/00/12/370130012.db2.gz	CKWKWFLNFXFUEP-CABZTGNLSA-N	-1	0	256.302	0.836	20	30		CCEDRM
C=CCOC[C@H](NC(=O)N[C@H]1CO[C@H](C2CC2)C1)C(=O)[O-]	ZINC000630494429	370135029	/nfs/dbraw/zinc/13/50/29/370135029.db2.gz	PSOHLODCTJTEFY-WOPDTQHZSA-N	-1	0	298.339	0.509	20	30		CCEDRM
O=S(=O)(NCC#CCO)c1ccccc1C(F)(F)F	ZINC000632516857	371118310	/nfs/dbraw/zinc/11/83/10/371118310.db2.gz	TUTSAHHBZIZDCT-UHFFFAOYSA-N	-1	0	293.266	0.979	20	30		CCEDRM
C=C(C)[C@H]1OCC[C@H]1CNC(=O)CCc1nnn[n-]1	ZINC000632840599	371295916	/nfs/dbraw/zinc/29/59/16/371295916.db2.gz	HJBSDODETYWTAM-JOYOIKCWSA-N	-1	0	265.317	0.230	20	30		CCEDRM
N#Cc1cccc(S(=O)(=O)N2C[C@H]3C[C@@]3(C(=O)[O-])C2)c1	ZINC000567974769	291542030	/nfs/dbraw/zinc/54/20/30/291542030.db2.gz	ASPVBUVDHQKNOP-ZWNOBZJWSA-N	-1	0	292.316	0.653	20	30		CCEDRM
C=CC[C@@H]1CCCN(S(=O)(=O)N(C)CCC(=O)[O-])C1	ZINC000656717994	412846746	/nfs/dbraw/zinc/84/67/46/412846746.db2.gz	OUDPJOOGGSPKGD-LLVKDONJSA-N	-1	0	290.385	0.926	20	30		CCEDRM
N#Cc1cc(F)ccc1CS(=O)(=O)NC1(C(=O)[O-])CC1	ZINC000516974207	249195280	/nfs/dbraw/zinc/19/52/80/249195280.db2.gz	UULOCOOPPYBCNZ-UHFFFAOYSA-N	-1	0	298.295	0.734	20	30		CCEDRM
C[C@@H](NC(=O)N=c1cn[n-]s1)C(=O)N1CCOCC1	ZINC000330270747	533104156	/nfs/dbraw/zinc/10/41/56/533104156.db2.gz	UTLDMQYUHDGLHV-SSDOTTSWSA-N	-1	0	285.329	0.111	20	30		CCEDRM
C#CCOc1ccc(C(=O)N[C@]2(C(=O)[O-])CCOC2)cc1	ZINC000262149539	533186043	/nfs/dbraw/zinc/18/60/43/533186043.db2.gz	TUGVYGPIHMPXKU-OAHLLOKOSA-N	-1	0	289.287	0.672	20	30		CCEDRM
C=CCN(CC=C)S(=O)(=O)N1CCC[C@H](C(=O)[O-])C1	ZINC000037656135	388847263	/nfs/dbraw/zinc/84/72/63/388847263.db2.gz	DENIOHJQSZONRQ-NSHDSACASA-N	-1	0	288.369	0.702	20	30		CCEDRM
CC(C)(C)CN(CCC#N)C(=O)CSc1n[nH]c(=O)[n-]1	ZINC000188425762	388927804	/nfs/dbraw/zinc/92/78/04/388927804.db2.gz	CIJNLMBKTFXHON-UHFFFAOYSA-N	-1	0	297.384	0.978	20	30		CCEDRM
N#C[C@H](c1ccccc1)N1CCN(Cc2n[nH]c(=O)[n-]2)CC1	ZINC000092643073	389030185	/nfs/dbraw/zinc/03/01/85/389030185.db2.gz	QZBYFYMARWQWOL-CYBMUJFWSA-N	-1	0	298.350	0.480	20	30		CCEDRM
CC[C@H](CCNS(=O)(=O)c1ccc(C#N)o1)C(=O)[O-]	ZINC000296845215	389011058	/nfs/dbraw/zinc/01/10/58/389011058.db2.gz	CCTZYYJJTBZNRF-MRVPVSSYSA-N	-1	0	286.309	0.930	20	30		CCEDRM
N#Cc1ccc(Cl)c(C(=O)NCCc2nc(=O)o[n-]2)c1	ZINC000355504524	389086633	/nfs/dbraw/zinc/08/66/33/389086633.db2.gz	KENMCQUVANAECN-UHFFFAOYSA-N	-1	0	292.682	0.860	20	30		CCEDRM
N#Cc1cc(F)ccc1S(=O)(=O)NCCC(=O)[O-]	ZINC000340449002	389158544	/nfs/dbraw/zinc/15/85/44/389158544.db2.gz	MLEBWFNNKGTKNA-UHFFFAOYSA-N	-1	0	272.257	0.450	20	30		CCEDRM
Cc1[nH]c(=O)[nH]c(=O)c1NC(=O)c1cc(C#N)c[nH]1	ZINC000131326326	389212062	/nfs/dbraw/zinc/21/20/62/389212062.db2.gz	NLSXGFGYMHLSHM-UHFFFAOYSA-N	-1	0	259.225	0.648	20	30		CCEDRM
N#CCC1(CNC(=O)[C@@H]2CC[C@H](C(=O)[O-])O2)CC1	ZINC000362335235	389233756	/nfs/dbraw/zinc/23/37/56/389233756.db2.gz	RAIXQNYEMTYPEX-DTWKUNHWSA-N	-1	0	252.270	0.429	20	30		CCEDRM
Cc1cc(C(=O)NCCCC#N)[nH]c2nc(=O)[n-]c(=O)c1-2	ZINC000342669649	389238104	/nfs/dbraw/zinc/23/81/04/389238104.db2.gz	XJZHFJMNSKVHHL-UHFFFAOYSA-N	-1	0	287.279	0.778	20	30		CCEDRM
CC(C)[C@@H](CNS(=O)(=O)c1ccc(C#N)nc1)C(=O)[O-]	ZINC000159657869	389370374	/nfs/dbraw/zinc/37/03/74/389370374.db2.gz	FUCUFQUWFNTWEN-LLVKDONJSA-N	-1	0	297.336	0.588	20	30		CCEDRM
N#CC1CCN(C(=O)CNC(=O)c2cccc(O)c2)CC1	ZINC000348883391	389395078	/nfs/dbraw/zinc/39/50/78/389395078.db2.gz	BUWGRKQHQWUNAS-UHFFFAOYSA-N	-1	0	287.319	0.884	20	30		CCEDRM
C=C(C)COCCNC(=O)N1CCC[C@@H]1C(=O)[O-]	ZINC000164157129	389431881	/nfs/dbraw/zinc/43/18/81/389431881.db2.gz	JIVBLLYSHALZQQ-SNVBAGLBSA-N	-1	0	256.302	0.838	20	30		CCEDRM
N#C[C@@H]1COCCN1C(=O)c1nn(-c2ccccc2)cc1[O-]	ZINC000175902477	389549477	/nfs/dbraw/zinc/54/94/77/389549477.db2.gz	DIEOLPZCGWOZCS-GFCCVEGCSA-N	-1	0	298.302	0.942	20	30		CCEDRM
C=CCCn1cc(C(=O)N(C)C(C)(C)C(=O)[O-])nn1	ZINC000425250569	389643136	/nfs/dbraw/zinc/64/31/36/389643136.db2.gz	WGSGGFAZPFHLJC-UHFFFAOYSA-N	-1	0	266.301	0.789	20	30		CCEDRM
CC[C@@H](C(=O)[O-])N(C)S(=O)(=O)c1cncc(C#N)c1	ZINC000388403355	389769430	/nfs/dbraw/zinc/76/94/30/389769430.db2.gz	BVSYQPKGZHVGPC-JTQLQIEISA-N	-1	0	283.309	0.437	20	30		CCEDRM
COc1nn(C)cc1[N-]S(=O)(=O)c1ccc(C#N)nc1	ZINC000352300272	389786876	/nfs/dbraw/zinc/78/68/76/389786876.db2.gz	YSFGFWUCEQIUOL-UHFFFAOYSA-N	-1	0	293.308	0.496	20	30		CCEDRM
N#Cc1cncc(S(=O)(=O)N[C@H](C(=O)[O-])C2CCC2)c1	ZINC000399218677	389789972	/nfs/dbraw/zinc/78/99/72/389789972.db2.gz	UFJOMSQBPIHHFR-NSHDSACASA-N	-1	0	295.320	0.485	20	30		CCEDRM
N#Cc1cn(Cc2nnn[n-]2)c2ccccc2c1=O	ZINC000432533872	389883214	/nfs/dbraw/zinc/88/32/14/389883214.db2.gz	ALKUOJIQSUJSIF-UHFFFAOYSA-N	-1	0	252.237	0.435	20	30		CCEDRM
Cc1noc(=NC(=O)c2cc(C#N)cc(N(C)C)c2)[n-]1	ZINC000432640540	389886117	/nfs/dbraw/zinc/88/61/17/389886117.db2.gz	BBMNJUCUYPWZDV-UHFFFAOYSA-N	-1	0	271.280	0.990	20	30		CCEDRM
N#Cc1cc(NCCNC(=O)c2ccc(O)cc2)ccn1	ZINC000436726973	389983533	/nfs/dbraw/zinc/98/35/33/389983533.db2.gz	XDEVTIZWWZAXBX-UHFFFAOYSA-N	-1	0	282.303	0.923	20	30		CCEDRM
C=CC[C@@H](CC)NC(=O)C(=O)N1CC[C@@H](C(=O)[O-])C1	ZINC000420570684	390013267	/nfs/dbraw/zinc/01/32/67/390013267.db2.gz	WMNFSRAOZUQCMX-NXEZZACHSA-N	-1	0	268.313	0.390	20	30		CCEDRM
C#C[C@@H](CC)NC(=O)C(=O)N=c1[n-]nc(C(C)(C)C)s1	ZINC000491569803	390115149	/nfs/dbraw/zinc/11/51/49/390115149.db2.gz	XZAGLQYSRQQEJO-QMMMGPOBSA-N	-1	0	294.380	0.724	20	30		CCEDRM
Cc1c(C#N)cccc1NC(=O)C(=O)NCCCC(=O)[O-]	ZINC000579008793	390135542	/nfs/dbraw/zinc/13/55/42/390135542.db2.gz	FCNCQMUYTNZJIV-UHFFFAOYSA-N	-1	0	289.291	0.786	20	30		CCEDRM
C=CCCO[C@@H](C)C(=O)Nc1cnn(CC(=O)[O-])c1	ZINC000647745569	390157981	/nfs/dbraw/zinc/15/79/81/390157981.db2.gz	HVVADRULOLEUHY-VIFPVBQESA-N	-1	0	267.285	0.887	20	30		CCEDRM
CC[C@@H](CNS(=O)(=O)N(C)C[C@H](C)C#N)CC(=O)[O-]	ZINC000582245062	390273179	/nfs/dbraw/zinc/27/31/79/390273179.db2.gz	XLSKLJUMFLMBFI-NXEZZACHSA-N	-1	0	291.373	0.413	20	30		CCEDRM
C=C[C@@H]1OCC[C@H]1CNC(=O)c1[nH]nc(C)c1[O-]	ZINC000644785216	390312335	/nfs/dbraw/zinc/31/23/35/390312335.db2.gz	SDKWMGRIHMONEY-IUCAKERBSA-N	-1	0	251.286	0.745	20	30		CCEDRM
CC(C)(C)OC(=O)N1CCC[C@@H]1C=Nn1c(=O)[n-][nH]c1=O	ZINC000496748387	390359102	/nfs/dbraw/zinc/35/91/02/390359102.db2.gz	MCDSSDWMIPFQOE-MRVPVSSYSA-N	-1	0	297.315	0.923	20	30		CCEDRM
C[C@H](CC#N)N(C)S(=O)(=O)N[C@@H]1CC[C@H](C(=O)[O-])C1	ZINC000564730016	390496582	/nfs/dbraw/zinc/49/65/82/390496582.db2.gz	ZRZYUZGKNCIBAG-KXUCPTDWSA-N	-1	0	289.357	0.308	20	30		CCEDRM
N#CCC1(CS(=O)(=O)NC2(C(=O)[O-])CCC2)CC1	ZINC000565057059	390499450	/nfs/dbraw/zinc/49/94/50/390499450.db2.gz	YDTAIMKXHXGQQM-UHFFFAOYSA-N	-1	0	272.326	0.607	20	30		CCEDRM
N#CC1(CS(=O)(=O)N2CCC[C@@H]2C(=O)[O-])CCC1	ZINC000515619520	390477042	/nfs/dbraw/zinc/47/70/42/390477042.db2.gz	SVPSZNZZONMJHN-SECBINFHSA-N	-1	0	272.326	0.559	20	30		CCEDRM
C=C(C)CS(=O)(=O)N1CCOC[C@H]1CC(=O)[O-]	ZINC000646042304	390581215	/nfs/dbraw/zinc/58/12/15/390581215.db2.gz	CDKSTHJNZQYKCS-SECBINFHSA-N	-1	0	263.315	0.068	20	30		CCEDRM
C=CCn1cc(C(=O)N(CC(=O)[O-])C2CC2)nn1	ZINC000649243999	390535018	/nfs/dbraw/zinc/53/50/18/390535018.db2.gz	GNEUKZSFZGFDFR-UHFFFAOYSA-N	-1	0	250.258	0.153	20	30		CCEDRM
CC#CC[C@H](NS(=O)(=O)[C@@H]1CCO[C@H](C)C1)C(=O)[O-]	ZINC000570850625	390721828	/nfs/dbraw/zinc/72/18/28/390721828.db2.gz	XCQYJIFPWHWKFO-MXWKQRLJSA-N	-1	0	289.353	0.340	20	30		CCEDRM
C=C[C@H](CCC(=O)[O-])NS(=O)(=O)c1cn(C)nc1C	ZINC000578437147	390883612	/nfs/dbraw/zinc/88/36/12/390883612.db2.gz	PONGJGQBPXSXBE-SECBINFHSA-N	-1	0	287.341	0.426	20	30		CCEDRM
C=C[C@H](CCC(=O)[O-])NS(=O)(=O)N(C)C[C@@H](C)C#N	ZINC000578446635	390884819	/nfs/dbraw/zinc/88/48/19/390884819.db2.gz	YLFRCQCUIISBQQ-VHSXEESVSA-N	-1	0	289.357	0.332	20	30		CCEDRM
O=C(N=c1cn[n-]s1)NC[C@H]1CCCCS1(=O)=O	ZINC000330273914	304786345	/nfs/dbraw/zinc/78/63/45/304786345.db2.gz	ZXLVKIJOXIDJLY-SSDOTTSWSA-N	-1	0	290.370	0.831	20	30		CCEDRM
C[C@H](NC(=O)[O-])C(=O)NCc1ccc(OCC#N)cc1	ZINC000738992962	581114135	/nfs/dbraw/zinc/11/41/35/581114135.db2.gz	DOGZDOBFZUOEKR-VIFPVBQESA-N	-1	0	277.280	0.861	20	30		CCEDRM
Cc1ncc([N-]S(=O)(=O)c2cncc(C#N)c2)cn1	ZINC000357109182	144061264	/nfs/dbraw/zinc/06/12/64/144061264.db2.gz	WNMYRHAIRQKCBR-UHFFFAOYSA-N	-1	0	275.293	0.853	20	30		CCEDRM
CCC(=O)N1CC[C@@H](C(=O)N=c2[nH][n-]c(C)c2C#N)C1	ZINC000357263058	144075909	/nfs/dbraw/zinc/07/59/09/144075909.db2.gz	TUJDARXQKOUQNE-SECBINFHSA-N	-1	0	275.312	0.209	20	30		CCEDRM
C[C@@H]1C[C@H](C(=O)[N-]S(=O)(=O)c2cccc(C#N)c2)CO1	ZINC000408488995	144476880	/nfs/dbraw/zinc/47/68/80/144476880.db2.gz	OUZYYGGAIRCNIS-KOLCDFICSA-N	-1	0	294.332	0.788	20	30		CCEDRM
C=CC[C@@H](NS(=O)(=O)CCC(F)(F)F)C(=O)[O-]	ZINC000650389396	397716137	/nfs/dbraw/zinc/71/61/37/397716137.db2.gz	JETZVLRZJKBMLP-ZCFIWIBFSA-N	-1	0	275.248	0.888	20	30		CCEDRM
C=CCOC[C@H](NC(=O)[C@@H](OC)C1CCCC1)C(=O)[O-]	ZINC000659155943	413317833	/nfs/dbraw/zinc/31/78/33/413317833.db2.gz	GYCWOYCIAGNGPT-RYUDHWBXSA-N	-1	0	285.340	0.964	20	30		CCEDRM
C=CCC1(NC(=O)[C@H]2C[C@H]2C(=O)[O-])CCOCC1	ZINC000659188706	413333294	/nfs/dbraw/zinc/33/32/94/413333294.db2.gz	FAPAWBSVCOLVKC-VHSXEESVSA-N	-1	0	253.298	0.949	20	30		CCEDRM
C[C@@H](Oc1ccc(C#N)cc1)C(=O)NCc1nnn[n-]1	ZINC000044928533	411632383	/nfs/dbraw/zinc/63/23/83/411632383.db2.gz	XNWPXFGMLLAIAT-MRVPVSSYSA-N	-1	0	272.268	0.155	20	30		CCEDRM
C=CCNC(=O)CNC(=O)[C@@]1(C(=O)[O-])CC=CCC1	ZINC000653285972	412280941	/nfs/dbraw/zinc/28/09/41/412280941.db2.gz	CZPSRCGASDQEDW-CYBMUJFWSA-N	-1	0	266.297	0.216	20	30		CCEDRM
C=CCCC(=O)N1CCC(N2C[C@H](C(=O)[O-])CC2=O)CC1	ZINC000653310537	412286848	/nfs/dbraw/zinc/28/68/48/412286848.db2.gz	AXTYFQVNYQPFSR-LLVKDONJSA-N	-1	0	294.351	0.877	20	30		CCEDRM
C=CCCNC(=O)N1C[C@@H]2COC[C@]2(C(=O)[O-])C1	ZINC000659413859	413484284	/nfs/dbraw/zinc/48/42/84/413484284.db2.gz	SNNRJTZPQJNNKP-BXKDBHETSA-N	-1	0	254.286	0.305	20	30		CCEDRM
C=C[C@@H](CCC(=O)[O-])NS(=O)(=O)N1CCCCC1	ZINC000654786567	412439067	/nfs/dbraw/zinc/43/90/67/412439067.db2.gz	KRPJZMOPQPFWQY-JTQLQIEISA-N	-1	0	276.358	0.726	20	30		CCEDRM
Cc1nnc([C@H](C)NS(=O)(=O)c2cccnc2C#N)[nH]1	ZINC000285482512	196298284	/nfs/dbraw/zinc/29/82/84/196298284.db2.gz	VYQMGSGASFJTGR-ZETCQYMHSA-N	-1	0	292.324	0.419	20	30		CCEDRM
C=CCOCCCNC(=O)C(=O)N[C@H]1CC[C@@H](C(=O)[O-])C1	ZINC000659659613	413756532	/nfs/dbraw/zinc/75/65/32/413756532.db2.gz	CITSMYRZQOKNTJ-MNOVXSKESA-N	-1	0	298.339	0.065	20	30		CCEDRM
C=CCN(C(=O)C(=O)NCCCC(=O)[O-])[C@@H](C)COC	ZINC000659656601	413757844	/nfs/dbraw/zinc/75/78/44/413757844.db2.gz	TYRVXBNBGILOAX-JTQLQIEISA-N	-1	0	286.328	0.017	20	30		CCEDRM
C[C@@H](C#N)CN(C)S(=O)(=O)N1CCC(C(=O)[O-])CC1	ZINC000037838578	173796148	/nfs/dbraw/zinc/79/61/48/173796148.db2.gz	HKXRMDUHHXVUFD-VIFPVBQESA-N	-1	0	289.357	0.119	20	30		CCEDRM
C=CCN(CC=C)C(=O)CN(CCC)CC(=O)[O-]	ZINC000038021884	174001974	/nfs/dbraw/zinc/00/19/74/174001974.db2.gz	YKBQUZULKKNJLT-UHFFFAOYSA-N	-1	0	254.330	0.984	20	30		CCEDRM
C=CCCO[C@H](C)C(=O)NC1(C(=O)[O-])CCOCC1	ZINC000663142800	415006198	/nfs/dbraw/zinc/00/61/98/415006198.db2.gz	ROOHUAGKYDUVGW-SNVBAGLBSA-N	-1	0	271.313	0.718	20	30		CCEDRM
C=CCCCNC(=O)C(=O)NC[C@H](C(=O)[O-])C1CCC1	ZINC000663625052	415096699	/nfs/dbraw/zinc/09/66/99/415096699.db2.gz	QHFZRWDKWMFOHS-NSHDSACASA-N	-1	0	282.340	0.686	20	30		CCEDRM
C=CC[C@@H](CO)CNC(=O)NC[C@H](C(=O)[O-])C1CCC1	ZINC000665322324	415600168	/nfs/dbraw/zinc/60/01/68/415600168.db2.gz	BNTZBMDAXZALJQ-PWSUYJOCSA-N	-1	0	284.356	0.971	20	30		CCEDRM
C#CCNC(=O)c1ccccc1[N-]S(=O)(=O)N(C)C	ZINC000078238234	177327628	/nfs/dbraw/zinc/32/76/28/177327628.db2.gz	LUGVIBCSFDJHEV-UHFFFAOYSA-N	-1	0	281.337	0.268	20	30		CCEDRM
CC(C)NC(=O)[C@@H](C#N)C(=O)CCCN(C)C(=O)[O-]	ZINC000736476933	581775453	/nfs/dbraw/zinc/77/54/53/581775453.db2.gz	ASSOUTJOCVTFBU-VIFPVBQESA-N	-1	0	269.301	0.610	20	30		CCEDRM
C=C(C)C[C@H](NC(=O)C(=O)Nc1cc(C)on1)C(=O)[O-]	ZINC000630327031	419462476	/nfs/dbraw/zinc/46/24/76/419462476.db2.gz	VGNXTRVZASCLLW-QMMMGPOBSA-N	-1	0	281.268	0.457	20	30		CCEDRM
C=C(C)CN(C)S(=O)(=O)N1CCC[C@H](C(=O)[O-])C1	ZINC000135288258	544635727	/nfs/dbraw/zinc/63/57/27/544635727.db2.gz	HREUATNOTSXYAP-JTQLQIEISA-N	-1	0	276.358	0.536	20	30		CCEDRM
C=CC[C@@H](NS(=O)(=O)c1c[nH]c2ncccc12)C(=O)[O-]	ZINC000159616905	544694804	/nfs/dbraw/zinc/69/48/04/544694804.db2.gz	PTGRAVGSHOISSY-SECBINFHSA-N	-1	0	295.320	0.871	20	30		CCEDRM
C=CCOCCNS(=O)(=O)c1csc(C(=O)[O-])c1	ZINC000310663977	545010904	/nfs/dbraw/zinc/01/09/04/545010904.db2.gz	KUHSMAGTIGTPHU-UHFFFAOYSA-N	-1	0	291.350	0.927	20	30		CCEDRM
N#C[C@@H]1CN(Cc2nc(=O)c3sccc3[n-]2)CCO1	ZINC000107306938	261377673	/nfs/dbraw/zinc/37/76/73/261377673.db2.gz	LUDBRUQUGLSNGJ-MRVPVSSYSA-N	-1	0	276.321	0.709	20	30		CCEDRM
CSc1nn(CC(=O)N[C@](C)(C#N)C(C)C)c(=O)[n-]1	ZINC000188167999	262232022	/nfs/dbraw/zinc/23/20/22/262232022.db2.gz	DKDZTQVHYILAEO-LLVKDONJSA-N	-1	0	283.357	0.348	20	30		CCEDRM
CC(C)C[C@@H](CNC(=O)N1CCO[C@H](C#N)C1)C(=O)[O-]	ZINC000094706402	262464870	/nfs/dbraw/zinc/46/48/70/262464870.db2.gz	VPHMCXCPDACFRX-WDEREUQCSA-N	-1	0	283.328	0.667	20	30		CCEDRM
C=C[C@H](C)NC(=O)C(=O)N=c1[n-]nc(C(C)(C)C)s1	ZINC000340824183	263307708	/nfs/dbraw/zinc/30/77/08/263307708.db2.gz	UAPCAQMPTKNXLM-ZETCQYMHSA-N	-1	0	282.369	0.887	20	30		CCEDRM
C=CC[C@H](CO)CN=c1ccc(C(=O)OC)n[n-]1	ZINC000340903410	263308684	/nfs/dbraw/zinc/30/86/84/263308684.db2.gz	VKCCZLFREHQFKZ-VIFPVBQESA-N	-1	0	251.286	0.282	20	30		CCEDRM
CCCc1nc(=NC(=O)NCC(=O)N(C)C)s[n-]1	ZINC000330826415	264048483	/nfs/dbraw/zinc/04/84/83/264048483.db2.gz	FOOVFLDOEMBIJQ-UHFFFAOYSA-N	-1	0	271.346	0.327	20	30		CCEDRM
CCN(C[C@@H](C)C#N)S(=O)(=O)N[C@H](C)CC(=O)[O-]	ZINC000417425263	264241014	/nfs/dbraw/zinc/24/10/14/264241014.db2.gz	XRVCPDPNLPQMHU-DTWKUNHWSA-N	-1	0	277.346	0.166	20	30		CCEDRM
C=CC[C@@H](NS(=O)(=O)N1CCCCCC1)C(=O)[O-]	ZINC000161285038	264279624	/nfs/dbraw/zinc/27/96/24/264279624.db2.gz	VITQJTBUNALIGM-SNVBAGLBSA-N	-1	0	276.358	0.726	20	30		CCEDRM
C=C[C@H](C)NC(=O)N=c1[n-]nc(CCC(=O)OC)s1	ZINC000362679308	267034773	/nfs/dbraw/zinc/03/47/73/267034773.db2.gz	JNRLUYMNHWNWQG-ZETCQYMHSA-N	-1	0	284.341	0.762	20	30		CCEDRM
CN([C@H]1C[C@@H](C(=O)[O-])C1)S(=O)(=O)c1ccc(C#N)o1	ZINC000530143603	267327574	/nfs/dbraw/zinc/32/75/74/267327574.db2.gz	XGZYPDVAFVJJTR-OCAPTIKFSA-N	-1	0	284.293	0.635	20	30		CCEDRM
C=CCC[C@H](NS(=O)(=O)N(C)CC)C(=O)[O-]	ZINC000390130240	545087308	/nfs/dbraw/zinc/08/73/08/545087308.db2.gz	JKJJAPGTVHNVBW-QMMMGPOBSA-N	-1	0	250.320	0.192	20	30		CCEDRM
C=C(C)COCCNS(=O)(=O)c1cc(C(=O)[O-])co1	ZINC000571556183	328133479	/nfs/dbraw/zinc/13/34/79/328133479.db2.gz	KVXZJVKJFXCORC-UHFFFAOYSA-N	-1	0	289.309	0.849	20	30		CCEDRM
CC[C@@](C)(C#N)C(=O)N(C)C[C@H](C)c1nnn[n-]1	ZINC000285953145	328248326	/nfs/dbraw/zinc/24/83/26/328248326.db2.gz	COGILFMFSHSAFY-KWQFWETISA-N	-1	0	250.306	0.701	20	30		CCEDRM
CC(C)N(CCC(=O)[O-])S(=O)(=O)CC1(C#N)CC1	ZINC000564839845	327001834	/nfs/dbraw/zinc/00/18/34/327001834.db2.gz	LIAAEYIFEHWNRS-UHFFFAOYSA-N	-1	0	274.342	0.805	20	30		CCEDRM
C=CCN(C(=O)CCC(=O)[O-])[C@@H]1CCS(=O)(=O)C1	ZINC000557979404	327038883	/nfs/dbraw/zinc/03/88/83/327038883.db2.gz	WJOSNMGOPLXKAT-SECBINFHSA-N	-1	0	275.326	0.053	20	30		CCEDRM
C=CCCCS(=O)(=O)N[C@@H](C(=O)[O-])[C@@H]1CCCOC1	ZINC000573084117	327089942	/nfs/dbraw/zinc/08/99/42/327089942.db2.gz	MALWKJVZPNWUQB-GHMZBOCLSA-N	-1	0	291.369	0.752	20	30		CCEDRM
C=CCCCS(=O)(=O)N[C@]1(C(=O)[O-])CCOC1	ZINC000559205118	327146143	/nfs/dbraw/zinc/14/61/43/327146143.db2.gz	PDVHSRZURWPFKH-SNVBAGLBSA-N	-1	0	263.315	0.116	20	30		CCEDRM
C=CCC[C@@H](NC(=O)NCCCn1cccn1)C(=O)[O-]	ZINC000316699851	327194628	/nfs/dbraw/zinc/19/46/28/327194628.db2.gz	VRRWTYPRTIMKPB-LLVKDONJSA-N	-1	0	280.328	0.992	20	30		CCEDRM
CC[C@@](C)(CNS(=O)(=O)N(C)[C@@H](C)CC#N)C(=O)[O-]	ZINC000566313475	327304881	/nfs/dbraw/zinc/30/48/81/327304881.db2.gz	WSVJTPNADOWLJV-ONGXEEELSA-N	-1	0	291.373	0.556	20	30		CCEDRM
C[C@@H](C#N)CN(C)S(=O)(=O)NC1(C(=O)[O-])CCCC1	ZINC000561161034	327370630	/nfs/dbraw/zinc/37/06/30/327370630.db2.gz	YUWVUYQRSRUWEX-VIFPVBQESA-N	-1	0	289.357	0.310	20	30		CCEDRM
C=CCNC(=O)NC(=O)C[N@H+]1CCCC[C@H]1CCC(=O)[O-]	ZINC000050924485	327395593	/nfs/dbraw/zinc/39/55/93/327395593.db2.gz	CIDRCPNULCMXBB-NSHDSACASA-N	-1	0	297.355	0.718	20	30		CCEDRM
C=CCOC[C@H](NC(=O)[C@@H]1COc2ccccc21)C(=O)[O-]	ZINC000574900801	327540731	/nfs/dbraw/zinc/54/07/31/327540731.db2.gz	OIBZOVMXIQYGTK-NEPJUHHUSA-N	-1	0	291.303	0.935	20	30		CCEDRM
C[C@H]1C[C@@H](C(=O)[O-])CCN1S(=O)(=O)N(C)CCC#N	ZINC000530367530	329358421	/nfs/dbraw/zinc/35/84/21/329358421.db2.gz	DEINFPGYVMMKED-UWVGGRQHSA-N	-1	0	289.357	0.262	20	30		CCEDRM
C=C(C)CS(=O)(=O)N(CC(=O)[O-])CC(F)(F)F	ZINC000583875373	329524359	/nfs/dbraw/zinc/52/43/59/329524359.db2.gz	FSCOBAYXFRXLMA-UHFFFAOYSA-N	-1	0	275.248	0.841	20	30		CCEDRM
C=CC[C@H](CC)NC(=O)C(=O)N1CC[C@@](C)(C(=O)[O-])C1	ZINC000420568593	329774907	/nfs/dbraw/zinc/77/49/07/329774907.db2.gz	UYRVXFOZRHAKTL-IINYFYTJSA-N	-1	0	282.340	0.781	20	30		CCEDRM
C=CCOc1cccnc1C(=O)N1CCO[C@H](C(=O)[O-])C1	ZINC000262774651	330030551	/nfs/dbraw/zinc/03/05/51/330030551.db2.gz	MZKIPONFSQGIMA-NSHDSACASA-N	-1	0	292.291	0.572	20	30		CCEDRM
C=CCOC[C@@H](NC(=O)[C@@H]1Cc2ccccc2O1)C(=O)[O-]	ZINC000262866182	330035891	/nfs/dbraw/zinc/03/58/91/330035891.db2.gz	BBQARAKCKPPQBZ-YPMHNXCESA-N	-1	0	291.303	0.762	20	30		CCEDRM
C=CCOC[C@@H](NC(=O)COCC(F)(F)F)C(=O)[O-]	ZINC000263031527	330039678	/nfs/dbraw/zinc/03/96/78/330039678.db2.gz	OPMCIQZAAZGHBM-SSDOTTSWSA-N	-1	0	285.218	0.337	20	30		CCEDRM
C=CCOC[C@H](NC(=O)[C@@H]1C[C@H]1OCC)C(=O)[O-]	ZINC000263176026	330047448	/nfs/dbraw/zinc/04/74/48/330047448.db2.gz	ZFPPOXGGYWBOHQ-KXUCPTDWSA-N	-1	0	257.286	0.183	20	30		CCEDRM
C[C@@H](C(=O)[O-])N(C)S(=O)(=O)CC(C)(C)CC#N	ZINC000263566254	330058202	/nfs/dbraw/zinc/05/82/02/330058202.db2.gz	WKJXNTFMTDFYDF-QMMMGPOBSA-N	-1	0	262.331	0.661	20	30		CCEDRM
N#CC1(CS(=O)(=O)N2CC[C@H](C(=O)[O-])C2)CCCC1	ZINC000263547762	330059425	/nfs/dbraw/zinc/05/94/25/330059425.db2.gz	IIKZGLOAXHAFJA-JTQLQIEISA-N	-1	0	286.353	0.807	20	30		CCEDRM
CC[C@H](C)[C@H](NS(=O)(=O)N(CC)CCC#N)C(=O)[O-]	ZINC000263562562	330059681	/nfs/dbraw/zinc/05/96/81/330059681.db2.gz	STUSSXVBYXBUDA-UWVGGRQHSA-N	-1	0	291.373	0.556	20	30		CCEDRM
C=CCN(CC=C)C(=O)C(=O)N1C[C@@H](C)C[C@H](C(=O)[O-])C1	ZINC000422702008	330151120	/nfs/dbraw/zinc/15/11/20/330151120.db2.gz	CXNOETVTMRCHOM-RYUDHWBXSA-N	-1	0	294.351	0.756	20	30		CCEDRM
C=C(C)CN(C)C(=O)C(=O)N1CCC[C@@H](C(=O)[O-])C1	ZINC000422863242	330158046	/nfs/dbraw/zinc/15/80/46/330158046.db2.gz	RJYAWPGEFZUGMI-SNVBAGLBSA-N	-1	0	268.313	0.344	20	30		CCEDRM
C[C@H]1CN(S(=O)(=O)N(C)CCC#N)CC[C@@H]1C(=O)[O-]	ZINC000527484462	330249075	/nfs/dbraw/zinc/24/90/75/330249075.db2.gz	BNWVJCUMFMFPSG-UWVGGRQHSA-N	-1	0	289.357	0.119	20	30		CCEDRM
C[C@]1(C(=O)[O-])CCC[C@H]1NS(=O)(=O)CC1(C#N)CC1	ZINC000548554208	330280980	/nfs/dbraw/zinc/28/09/80/330280980.db2.gz	MOJGWBXLVKIYQH-KOLCDFICSA-N	-1	0	286.353	0.853	20	30		CCEDRM
CCC(CC)(CNS(=O)(=O)N(C)CCC#N)C(=O)[O-]	ZINC000424387631	330349837	/nfs/dbraw/zinc/34/98/37/330349837.db2.gz	GHTDQHGJSUFMML-UHFFFAOYSA-N	-1	0	291.373	0.557	20	30		CCEDRM
C=CCn1cc(CNC(=O)N(C)CCC(=O)[O-])nn1	ZINC000424400763	330350156	/nfs/dbraw/zinc/35/01/56/330350156.db2.gz	VIJNSNNBZNEQSQ-UHFFFAOYSA-N	-1	0	267.289	0.080	20	30		CCEDRM
C[C@@]1(C(=O)[O-])CCN(C(=O)C(=O)N[C@@H]2CC[C@H](C#N)C2)C1	ZINC000424501949	330359993	/nfs/dbraw/zinc/35/99/93/330359993.db2.gz	GACYUAQQYYMAOK-IMSIIYSGSA-N	-1	0	293.323	0.118	20	30		CCEDRM
C=C(C)CNC(=O)c1cc(C)c2c(=O)[n-]c(=O)nc-2[nH]1	ZINC000154282691	330656347	/nfs/dbraw/zinc/65/63/47/330656347.db2.gz	NNSWCTLNQQVTHJ-UHFFFAOYSA-N	-1	0	274.280	0.638	20	30		CCEDRM
C=CCOC[C@@H](NC(=O)CCn1cc(C)cn1)C(=O)[O-]	ZINC000455873498	331179342	/nfs/dbraw/zinc/17/93/42/331179342.db2.gz	HMKLRSMDQRCQTE-LLVKDONJSA-N	-1	0	281.312	0.354	20	30		CCEDRM
C#CCN(CC#N)C(=O)c1cc([O-])cc([N+](=O)[O-])c1	ZINC000490986524	332136200	/nfs/dbraw/zinc/13/62/00/332136200.db2.gz	UBRMTDFVIZEVAH-UHFFFAOYSA-N	-1	0	259.221	0.899	20	30		CCEDRM
C#C[C@@H](C)N(C)C(=O)c1cc(C)c2c(=O)[n-]c(=O)nc-2[nH]1	ZINC000491537480	332232602	/nfs/dbraw/zinc/23/26/02/332232602.db2.gz	RBNUOYOXVPLVJH-MRVPVSSYSA-N	-1	0	286.291	0.838	20	30		CCEDRM
C#CCN(CC#CC)S(=O)(=O)c1scnc1C(=O)[O-]	ZINC000491650926	332264575	/nfs/dbraw/zinc/26/45/75/332264575.db2.gz	CSLOBWXKOCRIMK-UHFFFAOYSA-N	-1	0	298.345	0.489	20	30		CCEDRM
Cn1ccc(/C=C/C(=O)[N-]S(=O)(=O)CC2(C#N)CC2)c1	ZINC000492824954	332415097	/nfs/dbraw/zinc/41/50/97/332415097.db2.gz	REZIURJPKPXNLZ-NSCUHMNNSA-N	-1	0	293.348	0.788	20	30		CCEDRM
N#CCCCS(=O)(=O)[N-]C(=O)/C=C/c1ccc[nH]1	ZINC000492866117	332416779	/nfs/dbraw/zinc/41/67/79/332416779.db2.gz	PRYUAYZQFNMRNX-AATRIKPKSA-N	-1	0	267.310	0.778	20	30		CCEDRM
CC#CCS(=O)(=O)[N-]C(=O)/C=C/c1cccnc1	ZINC000493374476	332437614	/nfs/dbraw/zinc/43/76/14/332437614.db2.gz	WZVGQOARTNOGEM-VOTSOKGWSA-N	-1	0	264.306	0.564	20	30		CCEDRM
C=C(C)COCCNC(=O)N1C[C@@H](OC)C[C@@H]1C(=O)[O-]	ZINC000164134991	334877256	/nfs/dbraw/zinc/87/72/56/334877256.db2.gz	WBFBJCMNXMRIMY-WDEREUQCSA-N	-1	0	286.328	0.463	20	30		CCEDRM
C=C[C@@H]1OCC[C@H]1C(=O)N1CCC[C@@H](c2n[nH]c(=O)[n-]2)C1	ZINC000575925524	335131837	/nfs/dbraw/zinc/13/18/37/335131837.db2.gz	RJUMATNEXZBWOW-MXWKQRLJSA-N	-1	0	292.339	0.807	20	30		CCEDRM
C=CCC[C@H](NS(=O)(=O)[C@@H]1CCO[C@@H](C)C1)C(=O)[O-]	ZINC000576105183	335154657	/nfs/dbraw/zinc/15/46/57/335154657.db2.gz	OITWUYHIWHUPON-AXFHLTTASA-N	-1	0	291.369	0.893	20	30		CCEDRM
C[C@H](CCC(=O)[O-])CNS(=O)(=O)CC1(C#N)CC1	ZINC000548554596	334162451	/nfs/dbraw/zinc/16/24/51/334162451.db2.gz	AOEGWZZSVULLPN-SECBINFHSA-N	-1	0	274.342	0.710	20	30		CCEDRM
N#CCCCCS(=O)(=O)NCC1(C(=O)[O-])CCC1	ZINC000551995459	334271600	/nfs/dbraw/zinc/27/16/00/334271600.db2.gz	INTFSHMGIPERPQ-UHFFFAOYSA-N	-1	0	274.342	0.855	20	30		CCEDRM
C=CCC[C@H](NC(=O)[C@H](C)n1cccn1)C(=O)[O-]	ZINC000262897331	334577120	/nfs/dbraw/zinc/57/71/20/334577120.db2.gz	LXHDGABLCCRIAZ-UWVGGRQHSA-N	-1	0	251.286	0.980	20	30		CCEDRM
CCN(C[C@@H](C)C(=O)[O-])S(=O)(=O)N(C)C[C@H](C)C#N	ZINC000565838035	334602079	/nfs/dbraw/zinc/60/20/79/334602079.db2.gz	VEICUIJUMXPKJB-NXEZZACHSA-N	-1	0	291.373	0.365	20	30		CCEDRM
CCN(CC#N)S(=O)(=O)c1cccc(CC(=O)[O-])c1	ZINC000568007208	334783760	/nfs/dbraw/zinc/78/37/60/334783760.db2.gz	CFLQVDPRJDKMFS-UHFFFAOYSA-N	-1	0	282.321	0.848	20	30		CCEDRM
CC(C)[C@@H](C(=O)[O-])[C@@H](C)NS(=O)(=O)CCCC#N	ZINC000568384531	334821314	/nfs/dbraw/zinc/82/13/14/334821314.db2.gz	LSBBADWXXDFYEL-NXEZZACHSA-N	-1	0	276.358	0.955	20	30		CCEDRM
N#Cc1ccc(CS(=O)(=O)NCC2(C(=O)[O-])CC2)cc1	ZINC000166996051	334922300	/nfs/dbraw/zinc/92/23/00/334922300.db2.gz	LJMFTERLPFYVKE-UHFFFAOYSA-N	-1	0	294.332	0.842	20	30		CCEDRM
C=CCC[C@@H](NS(=O)(=O)[C@H](C)CCOC)C(=O)[O-]	ZINC000576642450	335229657	/nfs/dbraw/zinc/22/96/57/335229657.db2.gz	FWCZEOOIHWINQW-NXEZZACHSA-N	-1	0	279.358	0.750	20	30		CCEDRM
C=CCn1cc(CNC(=O)C(C)(C)C(=O)[O-])nn1	ZINC000580564047	335286962	/nfs/dbraw/zinc/28/69/62/335286962.db2.gz	JVTBUEOTDJMFBH-UHFFFAOYSA-N	-1	0	252.274	0.191	20	30		CCEDRM
C=CCOC[C@H](NC(=O)NC[C@H]1CCCOC1)C(=O)[O-]	ZINC000580691963	335331196	/nfs/dbraw/zinc/33/11/96/335331196.db2.gz	XYVHPQHQQNZISQ-MNOVXSKESA-N	-1	0	286.328	0.368	20	30		CCEDRM
C[C@@H](CC#N)N(C)S(=O)(=O)N[C@@H](C)[C@H](C)C(=O)[O-]	ZINC000581073758	336004418	/nfs/dbraw/zinc/00/44/18/336004418.db2.gz	JAUBNOKAIYIFGF-CIUDSAMLSA-N	-1	0	277.346	0.164	20	30		CCEDRM
COC(=O)c1ncsc1S(=O)(=O)[N-][C@H](C)C#N	ZINC000347321635	534368734	/nfs/dbraw/zinc/36/87/34/534368734.db2.gz	NUFQAQPUGNMCNW-RXMQYKEDSA-N	-1	0	275.311	0.120	20	30		CCEDRM
Cc1nc([N-]S(=O)(=O)c2ccc(C#N)o2)nn1C	ZINC000427645465	534493575	/nfs/dbraw/zinc/49/35/75/534493575.db2.gz	NOESMHQHEXOVSR-UHFFFAOYSA-N	-1	0	267.270	0.389	20	30		CCEDRM
N#Cc1cccc(NCC(=O)N2CC[C@H](C(=O)[O-])C2)c1	ZINC000427972509	534808904	/nfs/dbraw/zinc/80/89/04/534808904.db2.gz	BDRRZWBYLZTFBC-NSHDSACASA-N	-1	0	273.292	0.903	20	30		CCEDRM
C=CCN=c1[n-]nc(S[C@@H](C)c2nnnn2C)s1	ZINC000344628137	526521573	/nfs/dbraw/zinc/52/15/73/526521573.db2.gz	YZQDJYGAPCRVSH-LURJTMIESA-N	-1	0	283.386	0.935	20	30		CCEDRM
C=CCOC[C@H](NC(=O)[C@H](OC)C1CC1)C(=O)[O-]	ZINC000668290194	545171423	/nfs/dbraw/zinc/17/14/23/545171423.db2.gz	LWMPAZRBTJBXAC-VHSXEESVSA-N	-1	0	257.286	0.183	20	30		CCEDRM
C=C[C@H](CO)NC(=O)N=c1nc([C@@H](C)OC)[n-]s1	ZINC000350638322	527583435	/nfs/dbraw/zinc/58/34/35/527583435.db2.gz	LUQSLCYGNUNRGV-RNFRBKRXSA-N	-1	0	272.330	0.336	20	30		CCEDRM
COc1cc(C#N)ccc1S(=O)(=O)N[C@@H](C)C(=O)[O-]	ZINC000362121456	536885223	/nfs/dbraw/zinc/88/52/23/536885223.db2.gz	BEHLCYRLPUWIGQ-ZETCQYMHSA-N	-1	0	284.293	0.318	20	30		CCEDRM
C=CC[C@@H](NS(=O)(=O)Cc1cc(C)no1)C(=O)[O-]	ZINC000681558675	545456304	/nfs/dbraw/zinc/45/63/04/545456304.db2.gz	VGKSCEQRSQGCMS-SECBINFHSA-N	-1	0	274.298	0.432	20	30		CCEDRM
Cc1onc(CC(=O)[N-]O[C@@H]2CCCCO2)c1C#N	ZINC000779381867	581183251	/nfs/dbraw/zinc/18/32/51/581183251.db2.gz	RHBGRRBPZKVSQJ-GFCCVEGCSA-N	-1	0	265.269	0.972	20	30		CCEDRM
C#CCCS(=O)(=O)[N-]C(=O)c1cccc2c[nH]nc21	ZINC000791108156	581207468	/nfs/dbraw/zinc/20/74/68/581207468.db2.gz	LRIPUTZDAYDDED-UHFFFAOYSA-N	-1	0	277.305	0.646	20	30		CCEDRM
CC[C@H](C)[C@H](NC(=O)[O-])C(=O)N1CCO[C@H](C#N)C1	ZINC000739225458	581208210	/nfs/dbraw/zinc/20/82/10/581208210.db2.gz	ADXDMJLPNHKRDN-AEJSXWLSSA-N	-1	0	269.301	0.420	20	30		CCEDRM
COc1cc(C#N)ccc1S(=O)(=O)NC/C=C\C(=O)[O-]	ZINC000788445332	581111480	/nfs/dbraw/zinc/11/14/80/581111480.db2.gz	DBRARHMWXJMMQE-IHWYPQMZSA-N	-1	0	296.304	0.486	20	30		CCEDRM
O=C([O-])COc1ccc(C=NN[C@@H]2CCOC2)cc1	ZINC000788452895	581112113	/nfs/dbraw/zinc/11/21/13/581112113.db2.gz	VVNZAXHPXCCFTC-LLVKDONJSA-N	-1	0	264.281	0.862	20	30		CCEDRM
CN1CCN(N=Cc2ccc(O)c(C(=O)[O-])c2)CC1	ZINC000777418548	581114878	/nfs/dbraw/zinc/11/48/78/581114878.db2.gz	MXCCPDMDMMAGKW-UHFFFAOYSA-N	-1	0	263.297	0.672	20	30		CCEDRM
C=CCCC(=O)[N-]S(=O)(=O)c1cnc2n1CCC2	ZINC000789786115	581156693	/nfs/dbraw/zinc/15/66/93/581156693.db2.gz	BPRUERLBTOICEY-UHFFFAOYSA-N	-1	0	269.326	0.600	20	30		CCEDRM
N#C[C@@H]1CN(C(=O)N[C@@H]2CCCN(C(=O)[O-])C2)CCO1	ZINC000739070048	581166276	/nfs/dbraw/zinc/16/62/76/581166276.db2.gz	WXFGOWTXKKIHRY-NXEZZACHSA-N	-1	0	282.300	0.063	20	30		CCEDRM
CCc1nn(CCNC(=O)[O-])c(=O)c(C#N)c1CC	ZINC000739558112	581170499	/nfs/dbraw/zinc/17/04/99/581170499.db2.gz	LNQYKGGVEQHRQS-UHFFFAOYSA-N	-1	0	264.285	0.507	20	30		CCEDRM
N#CCN(CC(=O)[O-])C(=O)c1ccc([N+](=O)[O-])s1	ZINC000739088570	581175360	/nfs/dbraw/zinc/17/53/60/581175360.db2.gz	WQTNWPFVRYJAKZ-UHFFFAOYSA-N	-1	0	269.238	0.707	20	30		CCEDRM
O=C(C#Cc1ccccc1)NCCc1nc(=O)o[n-]1	ZINC000790072266	581175470	/nfs/dbraw/zinc/17/54/70/581175470.db2.gz	IXKPMQLNLLWMQN-UHFFFAOYSA-N	-1	0	257.249	0.073	20	30		CCEDRM
Cc1nn(C)c(C)c1CCC(=O)N(CC#N)CC(=O)[O-]	ZINC000738909185	581180766	/nfs/dbraw/zinc/18/07/66/581180766.db2.gz	NRHRHZLZYJIUDT-UHFFFAOYSA-N	-1	0	278.312	0.406	20	30		CCEDRM
C=CCN(CCc1ccco1)C(=O)c1cc(=O)[nH][n-]1	ZINC000779329004	581181060	/nfs/dbraw/zinc/18/10/60/581181060.db2.gz	MBQYAKFJJQEBIF-UHFFFAOYSA-N	-1	0	261.281	0.713	20	30		CCEDRM
C=CCOc1ccc(C(=O)N=c2nn[n-]n2C)cc1	ZINC000779467725	581187116	/nfs/dbraw/zinc/18/71/16/581187116.db2.gz	UTTRVQPVGZBMFV-UHFFFAOYSA-N	-1	0	259.269	0.449	20	30		CCEDRM
C[C@H]1CN=C(NN=Cc2cc(F)c([O-])c(F)c2)N1	ZINC000779794266	581205686	/nfs/dbraw/zinc/20/56/86/581205686.db2.gz	FRMDNRDPUWMYNB-LURJTMIESA-N	-1	0	254.240	0.942	20	30		CCEDRM
C#CCCS(=O)(=O)[N-]C(=O)c1cc(C(C)=O)cn1C	ZINC000791110509	581207663	/nfs/dbraw/zinc/20/76/63/581207663.db2.gz	DRJDGJNCGYZAPU-UHFFFAOYSA-N	-1	0	282.321	0.311	20	30		CCEDRM
C#CCOc1ccccc1CNC(=O)N[C@H](C)C(=O)[O-]	ZINC000780574153	581234740	/nfs/dbraw/zinc/23/47/40/581234740.db2.gz	AYPJNTYFQXBPHD-SNVBAGLBSA-N	-1	0	276.292	0.971	20	30		CCEDRM
COC1CCC(C(=O)[N-]S(=O)(=O)CCCC#N)CC1	ZINC000781538661	581271506	/nfs/dbraw/zinc/27/15/06/581271506.db2.gz	WPJAJPDLYFXKHI-UHFFFAOYSA-N	-1	0	288.369	0.941	20	30		CCEDRM
N#Cc1ccc(C[C@@H](C#N)C(=O)[N-]OCCO)cc1	ZINC000792333087	581277492	/nfs/dbraw/zinc/27/74/92/581277492.db2.gz	OQXDYNNWWAZBNZ-LBPRGKRZSA-N	-1	0	259.265	0.281	20	30		CCEDRM
N#CC1(CS(=O)(=O)[N-]C(=O)CCc2cscn2)CC1	ZINC000793194943	581287814	/nfs/dbraw/zinc/28/78/14/581287814.db2.gz	DFOTWPZFIFQDQM-UHFFFAOYSA-N	-1	0	299.377	0.825	20	30		CCEDRM
CC(C)(C#N)C(=O)OCc1cc(=O)n2[n-]cc(C#N)c2n1	ZINC000783028011	581334241	/nfs/dbraw/zinc/33/42/41/581334241.db2.gz	JMEXQTQLIWUHSU-UHFFFAOYSA-N	-1	0	285.263	0.900	20	30		CCEDRM
C=C[C@@](C)(CCOC)C(=O)[N-]S(=O)(=O)CCOCC	ZINC000783091300	581335632	/nfs/dbraw/zinc/33/56/32/581335632.db2.gz	IEYAMPGJUNSTLV-LBPRGKRZSA-N	-1	0	293.385	0.698	20	30		CCEDRM
Cc1nn2cccnc2c1C([O-])=C(C#N)C(=O)N1CCCC1	ZINC000727952609	581342780	/nfs/dbraw/zinc/34/27/80/581342780.db2.gz	MXVMHOPMFHYFKP-NSHDSACASA-N	-1	0	297.318	0.983	20	30		CCEDRM
C#CCSCCNC(=O)N1CC[C@@H](CN(C)C(=O)[O-])C1	ZINC000738469820	581343065	/nfs/dbraw/zinc/34/30/65/581343065.db2.gz	HMFJWGDVRSOAPG-NSHDSACASA-N	-1	0	299.396	0.994	20	30		CCEDRM
C=C(C)CN(CC)C(=O)[C@@H]1C[C@@H](O)CN1C(=O)[O-]	ZINC000738470100	581343751	/nfs/dbraw/zinc/34/37/51/581343751.db2.gz	HYXLMYBDONVZGM-ZJUUUORDSA-N	-1	0	256.302	0.524	20	30		CCEDRM
C#CCSCCNC(=O)N1CC[C@H](CNC(=O)[O-])C1	ZINC000738471048	581344386	/nfs/dbraw/zinc/34/43/86/581344386.db2.gz	VFKBGXCHNDGQBX-SNVBAGLBSA-N	-1	0	285.369	0.652	20	30		CCEDRM
COC(C)(C)C(=O)OCc1cc(=O)n2[n-]cc(C#N)c2n1	ZINC000783563710	581349964	/nfs/dbraw/zinc/34/99/64/581349964.db2.gz	BYJZJNFNHWNXRN-UHFFFAOYSA-N	-1	0	290.279	0.775	20	30		CCEDRM
C=CCCC(=O)N1CCC[C@@H](C(=O)NCCNC(=O)[O-])C1	ZINC000738487986	581357300	/nfs/dbraw/zinc/35/73/00/581357300.db2.gz	FDWIALKEDLJLKZ-LLVKDONJSA-N	-1	0	297.355	0.575	20	30		CCEDRM
C=CCSCCNC(=O)N[C@H]1CCN(C(=O)[O-])C1	ZINC000738505294	581366446	/nfs/dbraw/zinc/36/64/46/581366446.db2.gz	JBUGDGKJRNARKM-VIFPVBQESA-N	-1	0	273.358	0.957	20	30		CCEDRM
C=CCS(=O)(=O)[N-]C(=O)CCc1ccccc1C(N)=O	ZINC000796791939	581450905	/nfs/dbraw/zinc/45/09/05/581450905.db2.gz	GTXGAYYWCCUINZ-UHFFFAOYSA-N	-1	0	296.348	0.350	20	30		CCEDRM
CC(C)(C#N)CS(=O)(=O)[N-]C(=O)c1cncs1	ZINC000797029906	581458273	/nfs/dbraw/zinc/45/82/73/581458273.db2.gz	ASTUKXXLASGSHI-UHFFFAOYSA-N	-1	0	273.339	0.752	20	30		CCEDRM
CC(C)n1cc(C(=O)[N-]S(=O)(=O)CC2(C#N)CC2)nn1	ZINC000797059874	581458460	/nfs/dbraw/zinc/45/84/60/581458460.db2.gz	CVEKIAWRBKDKPQ-UHFFFAOYSA-N	-1	0	297.340	0.222	20	30		CCEDRM
C[C@@H](Oc1ccccc1C#N)C(=O)[N-]OCCO	ZINC000787291997	581465137	/nfs/dbraw/zinc/46/51/37/581465137.db2.gz	NNMSLLNGVUHQDI-SECBINFHSA-N	-1	0	250.254	0.366	20	30		CCEDRM
N#Cc1ccc(NCC(=O)Nc2cnn(CC(=O)[O-])c2)cc1	ZINC000739121462	581507917	/nfs/dbraw/zinc/50/79/17/581507917.db2.gz	QYOYMXBGUIQJSH-UHFFFAOYSA-N	-1	0	299.290	0.890	20	30		CCEDRM
Cn1nccc1S(=O)(=O)[N-]C(=O)c1cc(C#N)cs1	ZINC000765659324	581532115	/nfs/dbraw/zinc/53/21/15/581532115.db2.gz	YMNOXTZVTHSLTI-UHFFFAOYSA-N	-1	0	296.333	0.472	20	30		CCEDRM
CCC[C@H](NC(=O)[O-])C(=O)N1CCO[C@@H](C#N)C1	ZINC000739314501	581534997	/nfs/dbraw/zinc/53/49/97/581534997.db2.gz	UMCKTJGGLGLWFV-IUCAKERBSA-N	-1	0	255.274	0.174	20	30		CCEDRM
CC[C@H](C#N)OC(=O)Cc1c(C)nc2cc[n-]n2c1=O	ZINC000753423590	581540048	/nfs/dbraw/zinc/54/00/48/581540048.db2.gz	AWPAGTHNEYLGLU-SECBINFHSA-N	-1	0	274.280	0.719	20	30		CCEDRM
CNC(=S)NN=Cc1ccc(OC)cc1OCC(=O)[O-]	ZINC000734362872	581557859	/nfs/dbraw/zinc/55/78/59/581557859.db2.gz	UPBMBKVXGMJPBQ-UHFFFAOYSA-N	-1	0	297.336	0.586	20	30		CCEDRM
CN(CC(=O)NCCNc1ccc(C#N)cn1)C(=O)[O-]	ZINC000739622615	581582654	/nfs/dbraw/zinc/58/26/54/581582654.db2.gz	CKTKFWJUJHCOQP-UHFFFAOYSA-N	-1	0	277.284	0.091	20	30		CCEDRM
C#CCC(C)(C)C(=O)N1CCC[C@@H](c2nnn[n-]2)C1	ZINC000767101552	581596476	/nfs/dbraw/zinc/59/64/76/581596476.db2.gz	DBDPXGTUUZGRII-SNVBAGLBSA-N	-1	0	261.329	0.955	20	30		CCEDRM
CC(C)(C#N)CC(=O)[N-]S(=O)(=O)C[C@H]1CCOC1	ZINC000786475061	581601093	/nfs/dbraw/zinc/60/10/93/581601093.db2.gz	VMPFEUVEQXIZCU-VIFPVBQESA-N	-1	0	274.342	0.409	20	30		CCEDRM
COC(=O)CN(CC#N)C(=O)[C@H]1CCC[C@@H](NC(=O)[O-])C1	ZINC000739762465	581612187	/nfs/dbraw/zinc/61/21/87/581612187.db2.gz	PZKMIBDUTPEIJM-VHSXEESVSA-N	-1	0	297.311	0.338	20	30		CCEDRM
CN(C1CCN(C(=O)[O-])CC1)S(=O)(=O)CCCC#N	ZINC000739618172	581616840	/nfs/dbraw/zinc/61/68/40/581616840.db2.gz	WHYHUFHMWHTJJO-UHFFFAOYSA-N	-1	0	289.357	0.694	20	30		CCEDRM
COCCN(CC(=O)N1CCC(C#N)CC1)C(=O)[O-]	ZINC000739816975	581623894	/nfs/dbraw/zinc/62/38/94/581623894.db2.gz	RJUUFOUOQSIFES-UHFFFAOYSA-N	-1	0	269.301	0.375	20	30		CCEDRM
N#Cc1cccc(S(=O)(=O)NC2(C(=O)[O-])CC2)c1	ZINC000201850003	581635010	/nfs/dbraw/zinc/63/50/10/581635010.db2.gz	AMBMFEHJPJXGLY-UHFFFAOYSA-N	-1	0	266.278	0.454	20	30		CCEDRM
COc1ccccc1[C@@H](NC(=O)[O-])C(=O)N(C)CC#N	ZINC000739962120	581639507	/nfs/dbraw/zinc/63/95/07/581639507.db2.gz	FHMUJWWAZHJBGF-LLVKDONJSA-N	-1	0	277.280	0.986	20	30		CCEDRM
C=CCCCn1c(=O)c(-c2nnn[n-]2)cn(CC)c1=O	ZINC000735412454	581641661	/nfs/dbraw/zinc/64/16/61/581641661.db2.gz	BHRJGPBEOVFURK-UHFFFAOYSA-N	-1	0	276.300	0.176	20	30		CCEDRM
CSCC[C@H](NC(=O)[O-])C(=O)N(C)C[C@@H](C)C#N	ZINC000740008281	581644243	/nfs/dbraw/zinc/64/42/43/581644243.db2.gz	JCYDJKVINFSCNB-IUCAKERBSA-N	-1	0	273.358	0.994	20	30		CCEDRM
Cc1nc(-c2nnn[n-]2)c(N=NC(C)[C@@H]2CCOC2)o1	ZINC000735450864	581645855	/nfs/dbraw/zinc/64/58/55/581645855.db2.gz	HEWANTPQMSNJNM-MRVPVSSYSA-N	-1	0	277.288	0.987	20	30		CCEDRM
CN(CCNc1ncc([N+](=O)[O-])cc1C#N)C(=O)[O-]	ZINC000739700435	581649270	/nfs/dbraw/zinc/64/92/70/581649270.db2.gz	FFNHOUHHASHOPP-UHFFFAOYSA-N	-1	0	265.229	0.883	20	30		CCEDRM
N#CCN1CCC(CNC(=O)[C@@H]2CCCN2C(=O)[O-])CC1	ZINC000740304824	581662561	/nfs/dbraw/zinc/66/25/61/581662561.db2.gz	BOQUIOLOBWGJCN-LBPRGKRZSA-N	-1	0	294.355	0.481	20	30		CCEDRM
N#C[C@@H]1CN(C(=O)[C@H]2CCC[C@H]2NC(=O)[O-])CCO1	ZINC000740309100	581663557	/nfs/dbraw/zinc/66/35/57/581663557.db2.gz	DJQAJVXZCSNDEM-KXUCPTDWSA-N	-1	0	267.285	0.174	20	30		CCEDRM
N#C[C@H]1CN(C(=O)[C@@H]2CCN(C(=O)[O-])C2)CCN1C1CC1	ZINC000740309714	581663915	/nfs/dbraw/zinc/66/39/15/581663915.db2.gz	MIHHHAOKULWBOL-PWSUYJOCSA-N	-1	0	292.339	0.185	20	30		CCEDRM
N#CC1(C(=O)N[C@H](CNC(=O)[O-])C2CC2)CCC1	ZINC000740310689	581663925	/nfs/dbraw/zinc/66/39/25/581663925.db2.gz	VNXSBTVQEFCASN-SECBINFHSA-N	-1	0	251.286	0.843	20	30		CCEDRM
N#CC1(C(=O)N2CCC(NC(=O)[O-])CC2)CCC1	ZINC000740309395	581664041	/nfs/dbraw/zinc/66/40/41/581664041.db2.gz	GRUQKLQDERPXIG-UHFFFAOYSA-N	-1	0	251.286	0.939	20	30		CCEDRM
N#CCn1cc(NC(=O)[C@H]2CCCCN2C(=O)[O-])cn1	ZINC000740311939	581664592	/nfs/dbraw/zinc/66/45/92/581664592.db2.gz	WMTNKTHNCGEOMZ-SNVBAGLBSA-N	-1	0	277.284	0.878	20	30		CCEDRM
N#Cc1ccsc1C(=O)NC1CN(C(=O)[O-])C1	ZINC000740321549	581665324	/nfs/dbraw/zinc/66/53/24/581665324.db2.gz	CZRCULSBTHGAMD-UHFFFAOYSA-N	-1	0	251.267	0.712	20	30		CCEDRM
C#CCN1CCN(C(=O)CCCN(C)C(=O)[O-])CC1	ZINC000736079177	581686944	/nfs/dbraw/zinc/68/69/44/581686944.db2.gz	IVAFBBJJQCSTLV-UHFFFAOYSA-N	-1	0	267.329	0.154	20	30		CCEDRM
C=CCCO[C@@H](C)C(=O)Nc1n[nH]c(CC(=O)[O-])n1	ZINC000736102580	581695972	/nfs/dbraw/zinc/69/59/72/581695972.db2.gz	QNNLTYGRRCBNMK-ZETCQYMHSA-N	-1	0	268.273	0.352	20	30		CCEDRM
C=CCNC(=O)C(=O)Nc1ccc(CCC(=O)[O-])cc1	ZINC000736107508	581697518	/nfs/dbraw/zinc/69/75/18/581697518.db2.gz	XNIJBQYHFAAKKO-UHFFFAOYSA-N	-1	0	276.292	0.945	20	30		CCEDRM
C=CCN(CCCC(=O)[O-])[C@@H]1CCS(=O)(=O)C1	ZINC000736108604	581698308	/nfs/dbraw/zinc/69/83/08/581698308.db2.gz	IYPMRMLKGJGCKA-SNVBAGLBSA-N	-1	0	261.343	0.526	20	30		CCEDRM
C=C(Br)CN1C(=O)N[C@@H](CC(=O)[O-])C1=O	ZINC000736095055	581701899	/nfs/dbraw/zinc/70/18/99/581701899.db2.gz	GYUCDCZFTVCAOS-YFKPBYRVSA-N	-1	0	277.074	0.290	20	30		CCEDRM
N#CC1(CS(=O)(=O)[N-]C(=O)c2cncnc2)CCCC1	ZINC000761165264	581711815	/nfs/dbraw/zinc/71/18/15/581711815.db2.gz	GAZGYGVNPVLXAQ-UHFFFAOYSA-N	-1	0	294.336	0.620	20	30		CCEDRM
CC(C)(NC(=O)[O-])C(=O)Nc1ccn(CCC#N)n1	ZINC000736334243	581744394	/nfs/dbraw/zinc/74/43/94/581744394.db2.gz	ZDTSPIQAIYSJTK-UHFFFAOYSA-N	-1	0	265.273	0.781	20	30		CCEDRM
CC(C)[C@H](C#N)N1CCN(C(=O)[C@H]2C[C@H]2C(=O)[O-])CC1	ZINC000736346858	581746039	/nfs/dbraw/zinc/74/60/39/581746039.db2.gz	AMUXKSWGYFQGAB-TUAOUCFPSA-N	-1	0	279.340	0.399	20	30		CCEDRM
C=C1CCN(C(=O)Cn2[n-]cc3c(=O)ncnc2-3)CC1	ZINC000731052432	581751861	/nfs/dbraw/zinc/75/18/61/581751861.db2.gz	PVHNWGWSYCNIMQ-UHFFFAOYSA-N	-1	0	273.296	0.250	20	30		CCEDRM
CCC[C@H](C)C(=O)Nc1nc(C#N)c(-c2nn[nH]n2)[n-]1	ZINC000736418795	581763580	/nfs/dbraw/zinc/76/35/80/581763580.db2.gz	HEQQUHJGNYHJGB-LURJTMIESA-N	-1	0	274.288	0.836	20	30		CCEDRM
CC(C)C[C@@H](NC(=O)[O-])C(=O)N1CCN(CC#N)CC1	ZINC000736422084	581764464	/nfs/dbraw/zinc/76/44/64/581764464.db2.gz	ORBWOGXUGGPZKS-LLVKDONJSA-N	-1	0	282.344	0.336	20	30		CCEDRM
Cn1cccc1C([O-])=C(C#N)C(=O)c1nccn1C	ZINC000770731118	581764771	/nfs/dbraw/zinc/76/47/71/581764771.db2.gz	XOPPUIAHOGTUPM-SECBINFHSA-N	-1	0	256.265	0.964	20	30		CCEDRM
Cn1ccnc1C([O-])=C(C#N)C(=O)CCn1cccn1	ZINC000770871170	581775439	/nfs/dbraw/zinc/77/54/39/581775439.db2.gz	IIKFGJNNUIPHDH-JTQLQIEISA-N	-1	0	271.280	0.598	20	30		CCEDRM
Cn1ccnc1C([O-])=C(C#N)C(=O)[C@@H]1CCCOC1	ZINC000770869432	581775519	/nfs/dbraw/zinc/77/55/19/581775519.db2.gz	WMVYZAUCHMJJRO-NXEZZACHSA-N	-1	0	261.281	0.738	20	30		CCEDRM
N#Cc1cnn(CCOC(=O)c2ccc([N+](=O)[O-])[n-]2)c1N	ZINC000731773192	581781250	/nfs/dbraw/zinc/78/12/50/581781250.db2.gz	JSSWQWDTXVNEEM-UHFFFAOYSA-N	-1	0	290.239	0.430	20	30		CCEDRM
CCON=Cc1cnc2ccc(-c3nn[nH]n3)cn12	ZINC000736627403	581809143	/nfs/dbraw/zinc/80/91/43/581809143.db2.gz	UXLWXCKYTXREHD-UHFFFAOYSA-N	-1	0	257.257	0.885	20	30		CCEDRM
C=CCOCCCC(=O)[N-]S(=O)(=O)CCOCC	ZINC000744122640	581831865	/nfs/dbraw/zinc/83/18/65/581831865.db2.gz	COOBSVMQJZKSBF-UHFFFAOYSA-N	-1	0	279.358	0.452	20	30		CCEDRM
CCN(C)S(=O)(=O)[N-]C(=O)c1ccc(C#N)cc1	ZINC000744241748	581836645	/nfs/dbraw/zinc/83/66/45/581836645.db2.gz	MIGIFNAJQUBBCV-UHFFFAOYSA-N	-1	0	267.310	0.485	20	30		CCEDRM
CCCC(=O)N1CSC[C@H]1C(=O)N(CC#N)CC(=O)[O-]	ZINC000736949742	581871374	/nfs/dbraw/zinc/87/13/74/581871374.db2.gz	WITQTJHVJHLXDZ-VIFPVBQESA-N	-1	0	299.352	0.125	20	30		CCEDRM
COC[C@H](C)C(=O)Nc1ccc(-c2nn[nH]n2)c(C#N)c1	ZINC000736969694	581876319	/nfs/dbraw/zinc/87/63/19/581876319.db2.gz	YAQMEGFRCUHWHP-QMMMGPOBSA-N	-1	0	286.295	0.959	20	30		CCEDRM
C=CCS(=O)(=O)[N-]C(=O)C1(C(F)(F)F)CC1	ZINC000772717049	581886178	/nfs/dbraw/zinc/88/61/78/581886178.db2.gz	APLZCTRFJBHYJG-UHFFFAOYSA-N	-1	0	257.233	0.961	20	30		CCEDRM
C=CCS(=O)(=O)[N-]C(=O)COc1ccc(OC)cc1	ZINC000772727525	581887040	/nfs/dbraw/zinc/88/70/40/581887040.db2.gz	QBWGWHDJKUBXHL-UHFFFAOYSA-N	-1	0	285.321	0.706	20	30		CCEDRM
CCN(CCC#N)C(=O)COC(=O)[C@@H]1C[C@H]1C(=O)[O-]	ZINC000737094549	581902921	/nfs/dbraw/zinc/90/29/21/581902921.db2.gz	SNRYVDARNUUDHC-RKDXNWHRSA-N	-1	0	268.269	0.012	20	30		CCEDRM
CCN(CCC#N)C(=O)CN1CCC[C@@H]1C(=O)[O-]	ZINC000737094529	581903079	/nfs/dbraw/zinc/90/30/79/581903079.db2.gz	RVQRJFYADQRARH-SNVBAGLBSA-N	-1	0	253.302	0.298	20	30		CCEDRM
CCOc1ccccc1OCC(=O)N(CC#N)CC(=O)[O-]	ZINC000737218312	581923363	/nfs/dbraw/zinc/92/33/63/581923363.db2.gz	LKPNRSGHXZKGPD-UHFFFAOYSA-N	-1	0	292.291	0.901	20	30		CCEDRM
CCc1[nH]c(C(=O)OCC(=O)NCC#N)c(C)c1C(=O)[O-]	ZINC000737245998	581926657	/nfs/dbraw/zinc/92/66/57/581926657.db2.gz	PQLOMGPWBOOZOA-UHFFFAOYSA-N	-1	0	293.279	0.380	20	30		CCEDRM
C=CCN(CC(=O)[O-])C(=O)CCCn1cncn1	ZINC000762048392	581929685	/nfs/dbraw/zinc/92/96/85/581929685.db2.gz	UMJMGLDENBOQKX-UHFFFAOYSA-N	-1	0	252.274	0.158	20	30		CCEDRM
O=C(NCC#CCO)c1ccc2[n-]c(=S)oc2c1	ZINC000773551417	581932709	/nfs/dbraw/zinc/93/27/09/581932709.db2.gz	QCPDLSAMVBIIKJ-UHFFFAOYSA-N	-1	0	262.290	0.842	20	30		CCEDRM
CC#CC[C@H]([N-]S(=O)(=O)[C@H](C)C(F)(F)F)C(=O)[O-]	ZINC000275072875	581937307	/nfs/dbraw/zinc/93/73/07/581937307.db2.gz	WYTLSBHVDCBBIL-RQJHMYQMSA-N	-1	0	287.259	0.723	20	30		CCEDRM
C[C@@H](CC#N)N(C)CCN1CCN(C(=O)[O-])CC1	ZINC000738892877	581941673	/nfs/dbraw/zinc/94/16/73/581941673.db2.gz	KVHREGHNWSUUNI-NSHDSACASA-N	-1	0	254.334	0.516	20	30		CCEDRM
C=CCNC(=O)C(C#N)=C([O-])c1ccnc(N(C)C)c1	ZINC000773979931	581950919	/nfs/dbraw/zinc/95/09/19/581950919.db2.gz	NBDKWUPAGDRZKU-LLVKDONJSA-N	-1	0	272.308	0.772	20	30		CCEDRM
COCCCNC(=O)C(C#N)=C([O-])c1cc(C)sn1	ZINC000774045683	581954654	/nfs/dbraw/zinc/95/46/54/581954654.db2.gz	XSRJUKMONKGXGV-SECBINFHSA-N	-1	0	281.337	0.927	20	30		CCEDRM
Cc1ncc(CO)c(/C=N/CCSCC(=O)[O-])c1O	ZINC000738885301	581968933	/nfs/dbraw/zinc/96/89/33/581968933.db2.gz	JJQQPZUONVFIAR-WLRTZDKTSA-N	-1	0	284.337	0.825	20	30		CCEDRM
CS(=O)(=O)CC(=O)Nc1cc(C#N)ccc1[O-]	ZINC000748411215	581974186	/nfs/dbraw/zinc/97/41/86/581974186.db2.gz	MLCUWSZFYRSUCZ-UHFFFAOYSA-N	-1	0	254.267	0.247	20	30		CCEDRM
C=CCS(=O)(=O)[N-]C(=O)c1cccc(C(=O)OC)c1	ZINC000763033884	581979392	/nfs/dbraw/zinc/97/93/92/581979392.db2.gz	LMBZRSQNTWOTJN-UHFFFAOYSA-N	-1	0	283.305	0.719	20	30		CCEDRM
CCN(C)S(=O)(=O)[N-]C(=O)c1ccc(C#N)cc1C	ZINC000748875177	581991546	/nfs/dbraw/zinc/99/15/46/581991546.db2.gz	DRIALGSKKIFFTI-UHFFFAOYSA-N	-1	0	281.337	0.793	20	30		CCEDRM
N#Cc1cccc(CC(=O)N2CCO[C@H](c3nnn[n-]3)C2)c1	ZINC000749385429	582006255	/nfs/dbraw/zinc/00/62/55/582006255.db2.gz	KNFHRLYLCYKHEG-LBPRGKRZSA-N	-1	0	298.306	0.214	20	30		CCEDRM
COCCCNC(=S)NN=Cc1ccc(C(=O)[O-])[nH]1	ZINC000749811570	582023496	/nfs/dbraw/zinc/02/34/96/582023496.db2.gz	CDGLTDCDPPTUEE-UHFFFAOYSA-N	-1	0	284.341	0.547	20	30		CCEDRM
N#CCCn1ccc(NC(=O)CCNC(=O)[O-])n1	ZINC000738427627	582048459	/nfs/dbraw/zinc/04/84/59/582048459.db2.gz	DHZYEXJFHGEHNX-UHFFFAOYSA-N	-1	0	251.246	0.393	20	30		CCEDRM
COCCCOCC(=O)C(C#N)=C([O-])c1nccn1C	ZINC000776097857	582051215	/nfs/dbraw/zinc/05/12/15/582051215.db2.gz	ROHDFQFNBFWDMT-JTQLQIEISA-N	-1	0	279.296	0.365	20	30		CCEDRM
N#CCCCS(=O)(=O)[N-]C(=O)C1CCSCC1	ZINC000776116152	582052168	/nfs/dbraw/zinc/05/21/68/582052168.db2.gz	IKFMXOMEWNCFNG-UHFFFAOYSA-N	-1	0	276.383	0.879	20	30		CCEDRM
CCOc1cccnc1C(=O)[N-]S(=O)(=O)CCCC#N	ZINC000776119533	582052202	/nfs/dbraw/zinc/05/22/02/582052202.db2.gz	RUBJQJGVUMTOJH-UHFFFAOYSA-N	-1	0	297.336	0.844	20	30		CCEDRM
CCO[C@@H](CC)C(=O)[N-]S(=O)(=O)CCCC#N	ZINC000776116617	582052326	/nfs/dbraw/zinc/05/23/26/582052326.db2.gz	WACHZQLCNBTINH-VIFPVBQESA-N	-1	0	262.331	0.551	20	30		CCEDRM
C#CCCNC(=O)N[C@H]1CCCCN(C(=O)[O-])C1	ZINC000738457447	582052564	/nfs/dbraw/zinc/05/25/64/582052564.db2.gz	NXLUIOBHOFGPCG-JTQLQIEISA-N	-1	0	253.302	0.841	20	30		CCEDRM
C#CCNC(=O)c1nnn(C2CCN(C(=O)[O-])CC2)c1C	ZINC000738463540	582053959	/nfs/dbraw/zinc/05/39/59/582053959.db2.gz	VALSHCWSXVMYNT-UHFFFAOYSA-N	-1	0	291.311	0.264	20	30		CCEDRM
COC(=O)C[C@H](C)C(=O)[N-]S(=O)(=O)CC(C)(C)C#N	ZINC000776140925	582054037	/nfs/dbraw/zinc/05/40/37/582054037.db2.gz	QUKKNWIIGSYTGW-QMMMGPOBSA-N	-1	0	290.341	0.181	20	30		CCEDRM
C#CCOc1cccc(NC(=O)COCCNC(=O)[O-])c1	ZINC000738467270	582054501	/nfs/dbraw/zinc/05/45/01/582054501.db2.gz	LGJJYAHJWDCNHA-UHFFFAOYSA-N	-1	0	292.291	0.921	20	30		CCEDRM
Cc1cccc(C(=O)[N-]S(=O)(=O)CC(C)(C)C#N)n1	ZINC000776144336	582054551	/nfs/dbraw/zinc/05/45/51/582054551.db2.gz	ZSICEXSANAYWIS-UHFFFAOYSA-N	-1	0	281.337	0.999	20	30		CCEDRM
C[C@@H](C#N)CN(C)C(=O)N[C@H]1CCN(C(=O)[O-])C1	ZINC000738597264	582064863	/nfs/dbraw/zinc/06/48/63/582064863.db2.gz	QDCPTTJBFSGGPJ-IUCAKERBSA-N	-1	0	254.290	0.540	20	30		CCEDRM
O=[N+]([O-])c1ccc([O-])cc1C=NN1CCOCC1	ZINC000751131053	582070742	/nfs/dbraw/zinc/07/07/42/582070742.db2.gz	KFIPZTBUPABMQK-UHFFFAOYSA-N	-1	0	251.242	0.967	20	30		CCEDRM
Cc1cnc(Cn2cc(C(=O)[O-])cc(C#N)c2=O)o1	ZINC000738803467	582078559	/nfs/dbraw/zinc/07/85/59/582078559.db2.gz	RXPGYOIZBCHDCH-UHFFFAOYSA-N	-1	0	259.221	0.763	20	30		CCEDRM
CC(C)C[C@@H](C#N)NC(=O)COCCNC(=O)[O-]	ZINC000738803826	582078601	/nfs/dbraw/zinc/07/86/01/582078601.db2.gz	VEMGMNAYUWQUSC-VIFPVBQESA-N	-1	0	257.290	0.325	20	30		CCEDRM
C[C@@H](CCNC(=O)C1(C#N)CCOCC1)NC(=O)[O-]	ZINC000738900741	582087208	/nfs/dbraw/zinc/08/72/08/582087208.db2.gz	RSSCWXUNWFFLSI-VIFPVBQESA-N	-1	0	269.301	0.469	20	30		CCEDRM
C[C@@H](NC(=O)[O-])C(=O)OCCNc1ncccc1C#N	ZINC000738993058	582096068	/nfs/dbraw/zinc/09/60/68/582096068.db2.gz	CSVGJJLVWOIRHP-MRVPVSSYSA-N	-1	0	278.268	0.564	20	30		CCEDRM
N#CCN(CC(=O)[O-])C(=O)CCn1cc(Cl)cn1	ZINC000739076977	582101512	/nfs/dbraw/zinc/10/15/12/582101512.db2.gz	FRUSKAKMELKTKD-UHFFFAOYSA-N	-1	0	270.676	0.363	20	30		CCEDRM
N#CCN(CC(=O)[O-])C(=O)c1cc(F)cc([N+](=O)[O-])c1	ZINC000739078739	582101603	/nfs/dbraw/zinc/10/16/03/582101603.db2.gz	LWRMQFOSNWYMJJ-UHFFFAOYSA-N	-1	0	281.199	0.784	20	30		CCEDRM
N#CCN(CC(=O)[O-])S(=O)(=O)Cc1ccc(F)cc1	ZINC000739086100	582101833	/nfs/dbraw/zinc/10/18/33/582101833.db2.gz	OQMHXIZIENAYJT-UHFFFAOYSA-N	-1	0	286.284	0.566	20	30		CCEDRM
N#CCN1CCN(C(=O)c2ccc(C(=O)[O-])cn2)CC1	ZINC000739086026	582101885	/nfs/dbraw/zinc/10/18/85/582101885.db2.gz	NNLZJNBKAWPDHZ-UHFFFAOYSA-N	-1	0	274.280	0.061	20	30		CCEDRM
COCCNC(=O)C(C#N)=C([O-])c1cccc(OC)n1	ZINC000752160095	582101967	/nfs/dbraw/zinc/10/19/67/582101967.db2.gz	HEMPYKGBMVCQCZ-SECBINFHSA-N	-1	0	277.280	0.175	20	30		CCEDRM
CC(=NN1CC(=O)N(C)C1=O)c1ccc([O-])c([N+](=O)[O-])c1	ZINC000768382236	582106133	/nfs/dbraw/zinc/10/61/33/582106133.db2.gz	NPRDHGZXALUHTE-UHFFFAOYSA-N	-1	0	292.251	0.918	20	30		CCEDRM
C=C(Br)CNC(=O)COC1CN(C(=O)[O-])C1	ZINC000823473328	613236678	/nfs/dbraw/zinc/23/66/78/613236678.db2.gz	CWWRJQICUAFVOU-UHFFFAOYSA-N	-1	0	293.117	0.390	20	30		CCEDRM
C#CCCCNC(=O)N(C)[C@H](COC(C)C)C(=O)[O-]	ZINC000909026775	612981237	/nfs/dbraw/zinc/98/12/37/612981237.db2.gz	BJFKGDRQYSDAAW-LLVKDONJSA-N	-1	0	270.329	0.919	20	30		CCEDRM
CC[S@@](C)(=O)=NS(=O)(=O)[N-][C@H](C#N)C(C)C	ZINC000906065953	616012547	/nfs/dbraw/zinc/01/25/47/616012547.db2.gz	WAEAQHWPYDEYPE-ANRSDYALSA-N	-1	0	267.376	0.487	20	30		CCEDRM
C[C@](C#N)(CC(=O)[O-])C(=O)N1CCN2C(=O)OCC[C@@H]2C1	ZINC000819822433	597605814	/nfs/dbraw/zinc/60/58/14/597605814.db2.gz	NVDMAVVMYUJRRI-NOZJJQNGSA-N	-1	0	295.295	0.044	20	30		CCEDRM
Cn1cccc1C(=O)COC(=O)[C@@](C)(C#N)CC(=O)[O-]	ZINC000821305171	597620445	/nfs/dbraw/zinc/62/04/45/597620445.db2.gz	QJUCQIHUUGEIOA-CYBMUJFWSA-N	-1	0	278.264	0.756	20	30		CCEDRM
C[C@@](C#N)(CC(=O)[O-])C(=O)NCCOCC(F)(F)F	ZINC000819842803	597631566	/nfs/dbraw/zinc/63/15/66/597631566.db2.gz	UFRZQZDIZRFCPY-VIFPVBQESA-N	-1	0	282.218	0.686	20	30		CCEDRM
C[C@](C#N)(CC(=O)[O-])C(=O)NC[C@@H](O)c1ccc(F)cc1	ZINC000819833997	597632796	/nfs/dbraw/zinc/63/27/96/597632796.db2.gz	LJRZJTMDLXLACC-BXUZGUMPSA-N	-1	0	294.282	0.980	20	30		CCEDRM
C[C@@](C#N)(CC(=O)[O-])C(=O)NCc1nccn1C(F)F	ZINC000819846483	597639516	/nfs/dbraw/zinc/63/95/16/597639516.db2.gz	CZZFLIAJSSRLSK-NSHDSACASA-N	-1	0	286.238	0.899	20	30		CCEDRM
C[C@](C#N)(CC(=O)[O-])C(=O)NC[C@@H](O)Cc1ccccc1	ZINC000819834288	597643767	/nfs/dbraw/zinc/64/37/67/597643767.db2.gz	MPQZBSVQAGPKHV-SWLSCSKDSA-N	-1	0	290.319	0.711	20	30		CCEDRM
C[C@@](C#N)(CC(=O)[O-])C(=O)NC[C@](C)(O)c1ccco1	ZINC000819832453	597649647	/nfs/dbraw/zinc/64/96/47/597649647.db2.gz	BIXUMJYTCSDQSZ-STQMWFEESA-N	-1	0	280.280	0.608	20	30		CCEDRM
C[C@@](C#N)(CC(=O)[O-])C(=O)NC[C@H]1CCCN(CC#N)C1	ZINC000819834539	597649729	/nfs/dbraw/zinc/64/97/29/597649729.db2.gz	OHZVSOAYDVDATE-RISCZKNCSA-N	-1	0	292.339	0.343	20	30		CCEDRM
C[C@H](CNC(=O)[C@@](C)(C#N)CC(=O)[O-])CC1(C)OCCO1	ZINC000820095625	597650353	/nfs/dbraw/zinc/65/03/53/597650353.db2.gz	KFDFGKMQIJKCPU-GXFFZTMASA-N	-1	0	298.339	0.896	20	30		CCEDRM
C[C@@](C#N)(CC(=O)[O-])C(=O)NC[C@@H](O)c1ccccc1F	ZINC000819834414	597652675	/nfs/dbraw/zinc/65/26/75/597652675.db2.gz	MYVCUKBQNQCBAL-RISCZKNCSA-N	-1	0	294.282	0.980	20	30		CCEDRM
C[C@@](C#N)(CC(=O)[O-])C(=O)NC[C@H](O)c1ccccc1F	ZINC000819834413	597652868	/nfs/dbraw/zinc/65/28/68/597652868.db2.gz	MYVCUKBQNQCBAL-FZMZJTMJSA-N	-1	0	294.282	0.980	20	30		CCEDRM
Cc1ccc(F)c2c1C(=NNCCC(=O)[O-])C(=O)N2	ZINC000821083472	597741430	/nfs/dbraw/zinc/74/14/30/597741430.db2.gz	IMUDTORHQHXHGR-UHFFFAOYSA-N	-1	0	265.244	0.855	20	30		CCEDRM
C[C@@H](C#N)Oc1ccccc1NCC(=O)NCC(=O)[O-]	ZINC000819874366	597749487	/nfs/dbraw/zinc/74/94/87/597749487.db2.gz	KILRCQQCPZHHQW-VIFPVBQESA-N	-1	0	277.280	0.590	20	30		CCEDRM
N#Cc1ccccc1/C=C/C(=O)OCC(=O)NCC(=O)[O-]	ZINC000821340407	597831221	/nfs/dbraw/zinc/83/12/21/597831221.db2.gz	FWRISNLMVZQNIW-AATRIKPKSA-N	-1	0	288.259	0.315	20	30		CCEDRM
N#CCc1cccc(C(=O)OCC(=O)NCC(=O)[O-])c1	ZINC000821324444	597835277	/nfs/dbraw/zinc/83/52/77/597835277.db2.gz	FKBFNTBFCKHKON-UHFFFAOYSA-N	-1	0	276.248	0.110	20	30		CCEDRM
Cc1cc(NC(=O)[C@@](C)(C#N)CC(=O)[O-])n(C)n1	ZINC000821008277	598223829	/nfs/dbraw/zinc/22/38/29/598223829.db2.gz	AGNWOTWKHDASMT-LLVKDONJSA-N	-1	0	250.258	0.672	20	30		CCEDRM
C[C@@](C#N)(CC(=O)[O-])C(=O)OCC(=O)NC1CCCCC1	ZINC000819866080	598227310	/nfs/dbraw/zinc/22/73/10/598227310.db2.gz	RHVLCFVTSUMTFX-AWEZNQCLSA-N	-1	0	296.323	0.983	20	30		CCEDRM
Cc1nc2n(n1)CCC[C@H]2NC(=O)[C@@](C)(C#N)CC(=O)[O-]	ZINC000821181672	598229901	/nfs/dbraw/zinc/22/99/01/598229901.db2.gz	IFGKYZHYKVLJKW-NOZJJQNGSA-N	-1	0	291.311	0.542	20	30		CCEDRM
C[C@](C#N)(CC(=O)[O-])C(=O)NCCCO[C@H]1CCOC1	ZINC000819834863	598229951	/nfs/dbraw/zinc/22/99/51/598229951.db2.gz	POXYSYHFYMOPMV-GXFFZTMASA-N	-1	0	284.312	0.303	20	30		CCEDRM
C#CCO[N-]C(=O)[C@H](C)Sc1nnnn1C1CC1	ZINC000855603347	612992941	/nfs/dbraw/zinc/99/29/41/612992941.db2.gz	MPARRKFGUSBUOS-ZETCQYMHSA-N	-1	0	267.314	0.170	20	30		CCEDRM
C#CCO[C@H](C)C(=O)N[C@@H](CC(=O)[O-])c1ccncc1	ZINC000911663273	613002448	/nfs/dbraw/zinc/00/24/48/613002448.db2.gz	OOYKCDOOQHYHTO-PWSUYJOCSA-N	-1	0	276.292	0.752	20	30		CCEDRM
C#CCO[C@H](C)C(=O)Nc1ncc(C(=O)OCC)[n-]1	ZINC000841221867	613003854	/nfs/dbraw/zinc/00/38/54/613003854.db2.gz	MFWVXGISKKXNPZ-MRVPVSSYSA-N	-1	0	265.269	0.563	20	30		CCEDRM
C#CC(=O)N[C@H]1CCN(c2sccc2C(=O)[O-])C1=O	ZINC000833360980	612945774	/nfs/dbraw/zinc/94/57/74/612945774.db2.gz	ULMCCNBGTYVCCU-QMMMGPOBSA-N	-1	0	278.289	0.301	20	30		CCEDRM
N#Cc1ccc(CN2CCNC(=O)[C@@H]2CC(=O)[O-])cc1	ZINC000071245688	599980939	/nfs/dbraw/zinc/98/09/39/599980939.db2.gz	XJMOBCJRIMVFDU-LBPRGKRZSA-N	-1	0	273.292	0.333	20	30		CCEDRM
N#CCSCC(=O)NCCSCCC(=O)[O-]	ZINC000309715193	600252014	/nfs/dbraw/zinc/25/20/14/600252014.db2.gz	YMXWEIHPHSTTHF-UHFFFAOYSA-N	-1	0	262.356	0.567	20	30		CCEDRM
C=C(Br)CN(CCOC)CC(=O)[O-]	ZINC000049607734	600565948	/nfs/dbraw/zinc/56/59/48/600565948.db2.gz	OFUUINMLLZUKQW-UHFFFAOYSA-N	-1	0	252.108	0.928	20	30		CCEDRM
C[C@@](NC(=O)c1ccc(C#N)cn1)(C(=O)[O-])C1CC1	ZINC000104205395	600616560	/nfs/dbraw/zinc/61/65/60/600616560.db2.gz	TYIKGCOKMCRITC-ZDUSSCGKSA-N	-1	0	259.265	0.936	20	30		CCEDRM
C#CCCNS(=O)(=O)c1ccc(C(=O)[O-])cc1	ZINC000070543661	600652142	/nfs/dbraw/zinc/65/21/42/600652142.db2.gz	XNIFHXIMWDADBC-UHFFFAOYSA-N	-1	0	253.279	0.686	20	30		CCEDRM
C#CCCNS(=O)(=O)c1ccc(OCCC(=O)[O-])cc1	ZINC000070246306	600652166	/nfs/dbraw/zinc/65/21/66/600652166.db2.gz	RTFXDMCGKPCJPL-UHFFFAOYSA-N	-1	0	297.332	0.842	20	30		CCEDRM
C#CCNS(=O)(=O)c1ccc(C(=O)[O-])c(C)c1	ZINC000304536247	600692801	/nfs/dbraw/zinc/69/28/01/600692801.db2.gz	HWKHGDZNEVIXIL-UHFFFAOYSA-N	-1	0	253.279	0.605	20	30		CCEDRM
CCN(C[C@@H](C)C#N)S(=O)(=O)c1c[nH]c(C(=O)[O-])c1	ZINC000037838156	600722669	/nfs/dbraw/zinc/72/26/69/600722669.db2.gz	APXAEYDZMAHRAI-QMMMGPOBSA-N	-1	0	285.325	0.883	20	30		CCEDRM
N#Cc1ccc([C@@H](NCc2nnnn2C2CC2)C(=O)[O-])cc1	ZINC000833070851	600759580	/nfs/dbraw/zinc/75/95/80/600759580.db2.gz	BFUAZXNEGWOOHL-CYBMUJFWSA-N	-1	0	298.306	0.795	20	30		CCEDRM
C#CCCNS(=O)(=O)c1cc(C(=O)[O-])n(C)c1	ZINC000070246322	600782439	/nfs/dbraw/zinc/78/24/39/600782439.db2.gz	NIRZOJXHUVUQQH-UHFFFAOYSA-N	-1	0	256.283	0.025	20	30		CCEDRM
N#CCN(CC(=O)[O-])C[C@@H](O)c1c(F)cccc1F	ZINC000833067100	601003296	/nfs/dbraw/zinc/00/32/96/601003296.db2.gz	PFJYQOGVKUFXOM-SNVBAGLBSA-N	-1	0	270.235	0.908	20	30		CCEDRM
Cc1ccc(NC(=O)CN(CC#N)CC(=O)[O-])cc1	ZINC000832943560	601004105	/nfs/dbraw/zinc/00/41/05/601004105.db2.gz	GRHSJRHDSYSHHU-UHFFFAOYSA-N	-1	0	261.281	0.844	20	30		CCEDRM
N#CCN(CCOc1ccccc1C#N)CC(=O)[O-]	ZINC000833066955	601005403	/nfs/dbraw/zinc/00/54/03/601005403.db2.gz	MAIKHGYBNHDQMC-UHFFFAOYSA-N	-1	0	259.265	0.847	20	30		CCEDRM
N#CCN(CC(=O)[O-])Cc1nc(-c2ccco2)no1	ZINC000833067535	601005557	/nfs/dbraw/zinc/00/55/57/601005557.db2.gz	VCGHMCFZXIOEGQ-UHFFFAOYSA-N	-1	0	262.225	0.740	20	30		CCEDRM
Cc1ccc(C)c(OC[C@H](O)CN(CC#N)CC(=O)[O-])c1	ZINC000832926675	601226123	/nfs/dbraw/zinc/22/61/23/601226123.db2.gz	ZHLBDVBSULTDQS-CYBMUJFWSA-N	-1	0	292.335	0.953	20	30		CCEDRM
C[C@H](CS(=O)(=O)Oc1ccc(C#N)cc1)C(=O)[O-]	ZINC000827571596	601271746	/nfs/dbraw/zinc/27/17/46/601271746.db2.gz	NBKZQRMVEFJPPH-MRVPVSSYSA-N	-1	0	269.278	0.988	20	30		CCEDRM
N#Cc1ccc(C(=O)N2CCNC(=O)[C@H]2CC(=O)[O-])s1	ZINC000833070557	601279548	/nfs/dbraw/zinc/27/95/48/601279548.db2.gz	MNCXOROJVFTVRT-MRVPVSSYSA-N	-1	0	293.304	0.035	20	30		CCEDRM
Cn1cc(NC(=O)CSCC#N)cc1C(=O)[O-]	ZINC000833047562	601310655	/nfs/dbraw/zinc/31/06/55/601310655.db2.gz	POFNCBCDLJBFLJ-UHFFFAOYSA-N	-1	0	253.283	0.919	20	30		CCEDRM
N#Cc1ccc(OCCN2CCOC[C@@H]2C(=O)[O-])cc1	ZINC000088381294	601558550	/nfs/dbraw/zinc/55/85/50/601558550.db2.gz	QNAXPQDJQFVSRL-CYBMUJFWSA-N	-1	0	276.292	0.722	20	30		CCEDRM
N#Cc1ccccc1OCCN1CCOC[C@H]1C(=O)[O-]	ZINC000833077013	601560885	/nfs/dbraw/zinc/56/08/85/601560885.db2.gz	VNLOAQCVDCYZIA-LBPRGKRZSA-N	-1	0	276.292	0.722	20	30		CCEDRM
C[C@@H]1CN(S(=O)(=O)CCCCC#N)C[C@H]1C(=O)[O-]	ZINC000828472229	601588727	/nfs/dbraw/zinc/58/87/27/601588727.db2.gz	PMJVTQPOFBPREA-NXEZZACHSA-N	-1	0	274.342	0.663	20	30		CCEDRM
N#Cc1ccc([C@@H](O)CN2CCOC[C@@H]2C(=O)[O-])cc1	ZINC000833072584	602048081	/nfs/dbraw/zinc/04/80/81/602048081.db2.gz	OGAKRBKYDBLRFZ-OLZOCXBDSA-N	-1	0	276.292	0.377	20	30		CCEDRM
C[C@@]1(C(=O)[O-])CCN(C(=O)NC2CCN(CC#N)CC2)C1	ZINC000827995586	602068599	/nfs/dbraw/zinc/06/85/99/602068599.db2.gz	BXBWZJWYOMZTOL-CQSZACIVSA-N	-1	0	294.355	0.481	20	30		CCEDRM
C[C@H](CC(=O)[O-])C(=O)[C@@H](C#N)C(=O)NC1CCCC1	ZINC000827240715	602183280	/nfs/dbraw/zinc/18/32/80/602183280.db2.gz	MWQYQVLXAIGHFA-PSASIEDQSA-N	-1	0	266.297	0.865	20	30		CCEDRM
N#Cc1cc(CN2CCO[C@@H](C(=O)[O-])C2)ccc1F	ZINC000300454989	602235071	/nfs/dbraw/zinc/23/50/71/602235071.db2.gz	XHEOFOMVUZKVAG-GFCCVEGCSA-N	-1	0	264.256	0.983	20	30		CCEDRM
N#CCN(CC(=O)[O-])C(=O)Cn1cc(-c2ccccc2)nn1	ZINC000833066034	602368217	/nfs/dbraw/zinc/36/82/17/602368217.db2.gz	NIUWQRLAPAOINF-UHFFFAOYSA-N	-1	0	299.290	0.382	20	30		CCEDRM
Cc1ncc(CO)c(/C=N\[C@@H]2CCN(C(=O)[O-])C2)c1O	ZINC000740232598	602457272	/nfs/dbraw/zinc/45/72/72/602457272.db2.gz	QHBIZISGBDYOPJ-WIIRKGCTSA-N	-1	0	279.296	0.759	20	30		CCEDRM
N#Cc1cccc(CC(=O)N[C@@H]2CCN(C(=O)[O-])C2)c1	ZINC000831146192	603446704	/nfs/dbraw/zinc/44/67/04/603446704.db2.gz	KOWLYPGOKCHEOV-GFCCVEGCSA-N	-1	0	273.292	0.969	20	30		CCEDRM
C[C@H]1CN(C(=O)[O-])CCN1C(=O)c1cc(C#N)cn1C	ZINC000826026900	603514963	/nfs/dbraw/zinc/51/49/63/603514963.db2.gz	PDBWVUVHESSKCL-VIFPVBQESA-N	-1	0	276.296	0.721	20	30		CCEDRM
N#Cc1cnn(C(=O)C[C@@H]2CCCN2C(=O)[O-])c1N	ZINC000831161600	603521310	/nfs/dbraw/zinc/52/13/10/603521310.db2.gz	GCAPKGCMQYPLAQ-QMMMGPOBSA-N	-1	0	263.257	0.510	20	30		CCEDRM
Cn1cc(C#N)cc1C(=O)NCC(C)(C)NC(=O)[O-]	ZINC000830989275	603545057	/nfs/dbraw/zinc/54/50/57/603545057.db2.gz	NKGRYVGAXXIHDE-UHFFFAOYSA-N	-1	0	264.285	0.673	20	30		CCEDRM
CCN(CCC#N)CN1CC2(CN(C(=O)[O-])C2)CC1=O	ZINC000827110373	603586343	/nfs/dbraw/zinc/58/63/43/603586343.db2.gz	APAISKIOQHSLJO-UHFFFAOYSA-N	-1	0	280.328	0.392	20	30		CCEDRM
Cc1cnn(CCC(=O)N2CCN(C(=O)[O-])C[C@@H]2C#N)c1	ZINC000830645981	603589004	/nfs/dbraw/zinc/58/90/04/603589004.db2.gz	PHTSJKYBECWWAX-NSHDSACASA-N	-1	0	291.311	0.296	20	30		CCEDRM
N#C[C@H]1CN(C(=O)[O-])CCN1C(=O)COCC1CC1	ZINC000831082385	603596645	/nfs/dbraw/zinc/59/66/45/603596645.db2.gz	LMVBRIBWSQPWAR-JTQLQIEISA-N	-1	0	267.285	0.127	20	30		CCEDRM
N#C[C@@H]1CN(C(=O)[O-])CCN1C(=O)/C=C/c1cccnc1	ZINC000831076420	603598167	/nfs/dbraw/zinc/59/81/67/603598167.db2.gz	METMRSOWCHJJEI-AAOUONPWSA-N	-1	0	286.291	0.809	20	30		CCEDRM
N#CCN1CCN(C(=O)CCCCCCNC(=O)[O-])CC1	ZINC000831102345	603627387	/nfs/dbraw/zinc/62/73/87/603627387.db2.gz	HKJSTZCGTYMVGC-UHFFFAOYSA-N	-1	0	296.371	0.872	20	30		CCEDRM
O=C([O-])N1CC(=NNS(=O)(=O)CCc2ccccc2)C1	ZINC000831838401	603633290	/nfs/dbraw/zinc/63/32/90/603633290.db2.gz	RADFHLQRUNOCHO-UHFFFAOYSA-N	-1	0	297.336	0.498	20	30		CCEDRM
C#CCNC(=O)[C@H](C)OC(=O)c1ccc(CNC(=O)[O-])o1	ZINC000823455135	612951636	/nfs/dbraw/zinc/95/16/36/612951636.db2.gz	AFCMGYSXVYNYPE-QMMMGPOBSA-N	-1	0	294.263	0.342	20	30		CCEDRM
N#CCn1cc(NC(=O)CC2CN(C(=O)[O-])C2)cn1	ZINC000831109319	603709737	/nfs/dbraw/zinc/70/97/37/603709737.db2.gz	FKPHCFUNRNZBNG-UHFFFAOYSA-N	-1	0	263.257	0.345	20	30		CCEDRM
N#C[C@H]1CN(C(=O)[O-])CCN1CC(=O)NCC1CCC1	ZINC000831091409	603726309	/nfs/dbraw/zinc/72/63/09/603726309.db2.gz	DGNHGDKZKMNMIW-NSHDSACASA-N	-1	0	280.328	0.090	20	30		CCEDRM
N#CCN1CCC[C@H](CNC(=O)[C@@H]2CCN(C(=O)[O-])C2)C1	ZINC000831102770	603735611	/nfs/dbraw/zinc/73/56/11/603735611.db2.gz	UHQGEPMVXDRUPW-VXGBXAGGSA-N	-1	0	294.355	0.338	20	30		CCEDRM
N#Cc1cc(NC(=O)[C@@H]2C[C@H](O)CN2C(=O)[O-])ccc1F	ZINC000831118123	603747199	/nfs/dbraw/zinc/74/71/99/603747199.db2.gz	NAIHTVXGDYSHRV-ONGXEEELSA-N	-1	0	293.254	0.749	20	30		CCEDRM
N#Cc1cc(NC(=O)[C@H]2C[C@H](O)CN2C(=O)[O-])ccc1F	ZINC000831118120	603747341	/nfs/dbraw/zinc/74/73/41/603747341.db2.gz	NAIHTVXGDYSHRV-GXSJLCMTSA-N	-1	0	293.254	0.749	20	30		CCEDRM
C[C@@H](NC(=O)C(=O)Nc1ccc(F)c(C#N)c1)C(=O)[O-]	ZINC000818017589	617182228	/nfs/dbraw/zinc/18/22/28/617182228.db2.gz	CVNJLCSWCRRLII-ZCFIWIBFSA-N	-1	0	279.227	0.225	20	30		CCEDRM
N#CCCn1ccc(NC(=O)[C@@]2(F)CCN(C(=O)[O-])C2)n1	ZINC000831097021	603900912	/nfs/dbraw/zinc/90/09/12/603900912.db2.gz	BNBHRHQRSIENTI-GFCCVEGCSA-N	-1	0	295.274	0.827	20	30		CCEDRM
C[C@@H](CC(=O)NC[C@H]1CCCN(CC#N)C1)NC(=O)[O-]	ZINC000824634398	603914662	/nfs/dbraw/zinc/91/46/62/603914662.db2.gz	DQQJUGIUEHGORT-WDEREUQCSA-N	-1	0	282.344	0.384	20	30		CCEDRM
C[C@H](CC(=O)NCC1CCN(CC#N)CC1)NC(=O)[O-]	ZINC000824638333	603918987	/nfs/dbraw/zinc/91/89/87/603918987.db2.gz	ZXYQTWDSXUUUIU-SNVBAGLBSA-N	-1	0	282.344	0.384	20	30		CCEDRM
N#C[C@@H]1CCC[C@H]1NC(=O)[C@H]1CCCN1C(=O)[O-]	ZINC000831076591	603959089	/nfs/dbraw/zinc/95/90/89/603959089.db2.gz	PKGCKRSEUTXIEP-IVZWLZJFSA-N	-1	0	251.286	0.937	20	30		CCEDRM
N#CCn1cc(NC(=O)[C@H]2CC[C@H](NC(=O)[O-])C2)cn1	ZINC000831109646	603962413	/nfs/dbraw/zinc/96/24/13/603962413.db2.gz	PPUZVJWYGVZMHJ-IUCAKERBSA-N	-1	0	277.284	0.781	20	30		CCEDRM
N#Cc1ccc(CNC(=O)COC2CN(C(=O)[O-])C2)cc1	ZINC000831126516	603976266	/nfs/dbraw/zinc/97/62/66/603976266.db2.gz	IIUPUPKGXLSBDZ-UHFFFAOYSA-N	-1	0	289.291	0.553	20	30		CCEDRM
C[C@@H](CC#N)N(C)C(=O)[C@]1(F)CCN(C(=O)[O-])C1	ZINC000824544796	603999005	/nfs/dbraw/zinc/99/90/05/603999005.db2.gz	SYIKKYINMVAMOW-KWQFWETISA-N	-1	0	257.265	0.839	20	30		CCEDRM
N#Cc1csc(C(=O)N2CCN(C(=O)[O-])C[C@H]2C#N)c1	ZINC000831162031	604075336	/nfs/dbraw/zinc/07/53/36/604075336.db2.gz	URGDWYNROMWDHQ-SECBINFHSA-N	-1	0	290.304	0.948	20	30		CCEDRM
Cc1ncoc1C(=O)N1CCN(C(=O)[O-])C[C@H]1C#N	ZINC000830829495	604087310	/nfs/dbraw/zinc/08/73/10/604087310.db2.gz	LIRYOTSHNOYRQM-MRVPVSSYSA-N	-1	0	264.241	0.311	20	30		CCEDRM
C[C@H](CN(C)C(=O)[O-])C(=O)n1ncc(C#N)c1N	ZINC000824896531	604219632	/nfs/dbraw/zinc/21/96/32/604219632.db2.gz	VQEPBTOWHPDLHL-ZCFIWIBFSA-N	-1	0	251.246	0.223	20	30		CCEDRM
N#C[C@H](C(=O)CC1(NC(=O)[O-])CCC1)C(=O)NC1CC1	ZINC000831064519	604253752	/nfs/dbraw/zinc/25/37/52/604253752.db2.gz	HNKGSRFSMSOLJC-SECBINFHSA-N	-1	0	279.296	0.554	20	30		CCEDRM
N#Cc1ccc(NCCNC(=O)C2(NC(=O)[O-])CC2)nc1	ZINC000831136741	604427524	/nfs/dbraw/zinc/42/75/24/604427524.db2.gz	JJFQAAYIGSWDFL-UHFFFAOYSA-N	-1	0	289.295	0.282	20	30		CCEDRM
CC1CC(C#N)(C(=O)OCC(=O)NCCC(=O)[O-])C1	ZINC000828156769	604604081	/nfs/dbraw/zinc/60/40/81/604604081.db2.gz	RLMMKFSJOOSQEJ-UHFFFAOYSA-N	-1	0	268.269	0.060	20	30		CCEDRM
C[C@H](NC(=O)[O-])[C@@H]1CN(C(=O)CSCC#N)CCO1	ZINC000825301833	604665478	/nfs/dbraw/zinc/66/54/78/604665478.db2.gz	MJHFZQAZNHNMTI-IUCAKERBSA-N	-1	0	287.341	0.127	20	30		CCEDRM
C[C@H](OC(=O)CSCC#N)c1cn(CC(=O)[O-])nn1	ZINC000827839434	604677069	/nfs/dbraw/zinc/67/70/69/604677069.db2.gz	SKVQSMLVGROLIX-ZETCQYMHSA-N	-1	0	284.297	0.224	20	30		CCEDRM
C=C(Br)CN1CCC(O)(C(=O)[O-])CC1	ZINC000833367715	604723791	/nfs/dbraw/zinc/72/37/91/604723791.db2.gz	RYSXIYYJEURRPU-UHFFFAOYSA-N	-1	0	264.119	0.807	20	30		CCEDRM
N#CC1CCN(C(=O)[C@@H]2CN(C(=O)[O-])CCO2)CC1	ZINC000831077027	604789567	/nfs/dbraw/zinc/78/95/67/604789567.db2.gz	VNATYRCINZQCPS-JTQLQIEISA-N	-1	0	267.285	0.127	20	30		CCEDRM
N#C[C@H](OC(=O)C[C@@H]1CN(C(=O)[O-])CCO1)C1CC1	ZINC000831070375	605085350	/nfs/dbraw/zinc/08/53/50/605085350.db2.gz	JRGLVUIMNXCZLB-ZJUUUORDSA-N	-1	0	268.269	0.601	20	30		CCEDRM
N#CC1(OC(=O)[C@@H]2CN(C(=O)[O-])CCO2)CCC1	ZINC000831075907	605087649	/nfs/dbraw/zinc/08/76/49/605087649.db2.gz	DNWLIVDDIOPNQF-QMMMGPOBSA-N	-1	0	254.242	0.355	20	30		CCEDRM
N#Cc1cc(COC(=O)[C@H]2CN(C(=O)[O-])CCO2)ccn1	ZINC000831113840	605087802	/nfs/dbraw/zinc/08/78/02/605087802.db2.gz	GFOFAAYUBGJJJM-LLVKDONJSA-N	-1	0	291.263	0.375	20	30		CCEDRM
N#Cc1cc(Cn2nnnc2CNC(=O)[O-])ccc1F	ZINC000831114222	605177777	/nfs/dbraw/zinc/17/77/77/605177777.db2.gz	KILMRBFRLLEFKO-UHFFFAOYSA-N	-1	0	276.231	0.500	20	30		CCEDRM
C=C(C)CN1C(=O)N[C@@]2(CCN(C(=O)[O-])C2)C1=O	ZINC000823480833	605346215	/nfs/dbraw/zinc/34/62/15/605346215.db2.gz	PLYYOPUJFGOVHN-LLVKDONJSA-N	-1	0	253.258	0.237	20	30		CCEDRM
O=C([O-])Nc1ncccc1C=NN1CCCNC1=O	ZINC000834279028	605382687	/nfs/dbraw/zinc/38/26/87/605382687.db2.gz	DMNZAEXIBVVROS-UHFFFAOYSA-N	-1	0	263.257	0.921	20	30		CCEDRM
N#CCCCNC(=O)N[C@@H](CNC(=O)[O-])C1CC1	ZINC000833969195	605393468	/nfs/dbraw/zinc/39/34/68/605393468.db2.gz	SRQKFRCWHONSGX-VIFPVBQESA-N	-1	0	254.290	0.636	20	30		CCEDRM
N#CCCNC(=O)COC(=O)CC[C@@H]1CCCN1C(=O)[O-]	ZINC000833965181	605435096	/nfs/dbraw/zinc/43/50/96/605435096.db2.gz	CLYSJSDGRWRXCX-JTQLQIEISA-N	-1	0	297.311	0.482	20	30		CCEDRM
C[C@@H](OC(=O)c1c[nH]c(C#N)c1)c1cn(CC(=O)[O-])nn1	ZINC000833532846	605499418	/nfs/dbraw/zinc/49/94/18/605499418.db2.gz	KONURWJJKNRZQP-SSDOTTSWSA-N	-1	0	289.251	0.480	20	30		CCEDRM
N#Cc1ccc(NCCNC(=O)C2CN(C(=O)[O-])C2)nc1	ZINC000833975391	605629399	/nfs/dbraw/zinc/62/93/99/605629399.db2.gz	NRXJJERTFWPJFG-UHFFFAOYSA-N	-1	0	289.295	0.091	20	30		CCEDRM
N#CCN(C(=O)C[C@@H]1CSCCN1C(=O)[O-])C1CC1	ZINC000831097835	605638402	/nfs/dbraw/zinc/63/84/02/605638402.db2.gz	VRFCAGKRHJTLNC-SNVBAGLBSA-N	-1	0	283.353	0.986	20	30		CCEDRM
Cc1onc(CC(=O)NC[C@@H](NC(=O)[O-])C2CC2)c1C#N	ZINC000833936698	605700139	/nfs/dbraw/zinc/70/01/39/605700139.db2.gz	PFVMYIBXNICTLQ-LLVKDONJSA-N	-1	0	292.295	0.560	20	30		CCEDRM
C#CCCNC(=O)N[C@@H]1CCC[C@@H]1CNC(=O)[O-]	ZINC000823444574	613047523	/nfs/dbraw/zinc/04/75/23/613047523.db2.gz	MYKVZNILEYZODJ-NXEZZACHSA-N	-1	0	253.302	0.745	20	30		CCEDRM
N#Cc1ccc([C@@H](O)C(=O)NCCCNC(=O)[O-])cc1	ZINC000833972579	605838025	/nfs/dbraw/zinc/83/80/25/605838025.db2.gz	FDNUYZOOWJVKNM-LLVKDONJSA-N	-1	0	277.280	0.366	20	30		CCEDRM
N#C[C@@H]1CN(C(=O)[O-])CCN1C(=O)c1cccc(O)c1	ZINC000833966067	605839860	/nfs/dbraw/zinc/83/98/60/605839860.db2.gz	HEHWUGMEPIFVQX-SNVBAGLBSA-N	-1	0	275.264	0.720	20	30		CCEDRM
N#Cc1ccc(C(=O)N2CCC[C@@H]2CNC(=O)[O-])[nH]1	ZINC000833973632	605875194	/nfs/dbraw/zinc/87/51/94/605875194.db2.gz	PWISHKWANVFMPG-SECBINFHSA-N	-1	0	262.269	0.759	20	30		CCEDRM
N#Cc1cccc(Cn2nnnc2CNC(=O)[O-])c1F	ZINC000833976438	605949081	/nfs/dbraw/zinc/94/90/81/605949081.db2.gz	MNKWGRUKAAVQKL-UHFFFAOYSA-N	-1	0	276.231	0.500	20	30		CCEDRM
N#CCN(CC#N)C(=O)[C@H]1CC12CCN(C(=O)[O-])CC2	ZINC000833967707	605961021	/nfs/dbraw/zinc/96/10/21/605961021.db2.gz	SXKKYDBPXAIWSH-SNVBAGLBSA-N	-1	0	276.296	0.642	20	30		CCEDRM
C#CCCOC(=O)CN(C[C@@H]1CCCO1)C(=O)[O-]	ZINC000823451191	613048365	/nfs/dbraw/zinc/04/83/65/613048365.db2.gz	PSTQTDHUJHXBRF-JTQLQIEISA-N	-1	0	255.270	0.712	20	30		CCEDRM
N#CCN1CCC[C@H](CNC(=O)CN(C(=O)[O-])C2CC2)C1	ZINC000833967852	605989547	/nfs/dbraw/zinc/98/95/47/605989547.db2.gz	VBOSBVMCVCPMRY-LLVKDONJSA-N	-1	0	294.355	0.481	20	30		CCEDRM
C[C@@H](NC(=O)[O-])[C@@H]1CN(CC2(C#N)CC2)CCO1	ZINC000833819622	606002377	/nfs/dbraw/zinc/00/23/77/606002377.db2.gz	OIBCNPWRKRMZIA-ZJUUUORDSA-N	-1	0	253.302	0.647	20	30		CCEDRM
N#CC1(NC(=O)CCCNC(=O)[O-])CCSCC1	ZINC000833963130	606073075	/nfs/dbraw/zinc/07/30/75/606073075.db2.gz	HEUCVBLZEPDYDY-UHFFFAOYSA-N	-1	0	271.342	0.940	20	30		CCEDRM
C#CCCS(=O)(=O)[N-]C(=O)Cc1ccc(C)o1	ZINC000810779530	613052953	/nfs/dbraw/zinc/05/29/53/613052953.db2.gz	QXMBTHDFUWNJMC-UHFFFAOYSA-N	-1	0	255.295	0.600	20	30		CCEDRM
C#CCN(C(=O)COC1CN(C(=O)[O-])C1)C1CCCC1	ZINC000823451401	613066085	/nfs/dbraw/zinc/06/60/85/613066085.db2.gz	UCJODGOYMJKBLA-UHFFFAOYSA-N	-1	0	280.324	0.770	20	30		CCEDRM
C#CC[C@H](NC(=O)c1ccc(CNC(C)=O)s1)C(=O)[O-]	ZINC000910053644	613070090	/nfs/dbraw/zinc/07/00/90/613070090.db2.gz	XKVCCYPOZWHNCD-JTQLQIEISA-N	-1	0	294.332	0.591	20	30		CCEDRM
C#CCC(C)(C)C(=O)[N-]S(=O)(=O)C[C@@H]1CCCO1	ZINC000810664231	612965793	/nfs/dbraw/zinc/96/57/93/612965793.db2.gz	QCYLKQORONDZCV-JTQLQIEISA-N	-1	0	273.354	0.661	20	30		CCEDRM
COc1cc2c(cc1C=NNCC(=O)[O-])OCO2	ZINC000814958351	617218153	/nfs/dbraw/zinc/21/81/53/617218153.db2.gz	NOPJVJQIVVMRHJ-UHFFFAOYSA-N	-1	0	252.226	0.432	20	30		CCEDRM
CC(C)[C@@](C)(C#N)NC(=O)c1cnc(C(=O)[O-])cn1	ZINC000833465245	614181431	/nfs/dbraw/zinc/18/14/31/614181431.db2.gz	IZRBKQUJJREVFW-GFCCVEGCSA-N	-1	0	262.269	0.843	20	30		CCEDRM
C#CCOCCC(=O)N(C)c1ncc(C(=O)[O-])s1	ZINC000833364838	612977430	/nfs/dbraw/zinc/97/74/30/612977430.db2.gz	XYOREHRPDVQAQA-UHFFFAOYSA-N	-1	0	268.294	0.844	20	30		CCEDRM
CC(C)C[C@H](NC(=O)CNc1ncccc1C#N)C(=O)[O-]	ZINC000833492067	614219505	/nfs/dbraw/zinc/21/95/05/614219505.db2.gz	FKKZLGWTKAAVAD-NSHDSACASA-N	-1	0	290.323	0.981	20	30		CCEDRM
CSCCC(=O)N1CCN(C(=O)[O-])C[C@@H]1C#N	ZINC000829723687	617231955	/nfs/dbraw/zinc/23/19/55/617231955.db2.gz	UJHLSFCXXKTKCB-QMMMGPOBSA-N	-1	0	257.315	0.454	20	30		CCEDRM
COc1ccc(CNC(=O)[C@](C)(C#N)CC(=O)[O-])cn1	ZINC000820837118	617256844	/nfs/dbraw/zinc/25/68/44/617256844.db2.gz	OPVPNGVUJMDPEN-ZDUSSCGKSA-N	-1	0	277.280	0.711	20	30		CCEDRM
CS[C@H](C)C(=O)[N-]S(=O)(=O)c1cncc(C#N)c1	ZINC000813983146	617275125	/nfs/dbraw/zinc/27/51/25/617275125.db2.gz	JTBLAPXQAHTZBN-SSDOTTSWSA-N	-1	0	285.350	0.510	20	30		CCEDRM
COc1cccc(Cn2cnc(-c3nnn[n-]3)c2C#N)c1	ZINC000826216780	617302163	/nfs/dbraw/zinc/30/21/63/617302163.db2.gz	NBQKAZUQJFGKDX-UHFFFAOYSA-N	-1	0	281.279	0.992	20	30		CCEDRM
C#CC(=O)NC[C@H](Oc1ccc(F)cc1)C(=O)[O-]	ZINC000833360949	612945595	/nfs/dbraw/zinc/94/55/95/612945595.db2.gz	UAZFUNIJHFAJEC-JTQLQIEISA-N	-1	0	251.213	0.407	20	30		CCEDRM
C#CCC1(C(=O)NC[C@](C)(O)C(=O)[O-])CCCCC1	ZINC000911473146	612968297	/nfs/dbraw/zinc/96/82/97/612968297.db2.gz	ROGXDLUYHPXAGV-ZDUSSCGKSA-N	-1	0	267.325	0.912	20	30		CCEDRM
C#CCCCCC(=O)[N-]S(=O)(=O)CCC(=O)OC	ZINC000842354857	612975805	/nfs/dbraw/zinc/97/58/05/612975805.db2.gz	AQJIWGRDKUPAGM-UHFFFAOYSA-N	-1	0	275.326	0.189	20	30		CCEDRM
C#CCCCC(=O)NC[C@]1(C(=O)[O-])CCCOC1	ZINC000910306221	612974904	/nfs/dbraw/zinc/97/49/04/612974904.db2.gz	OFGRFOWLPZIEGE-CYBMUJFWSA-N	-1	0	253.298	0.788	20	30		CCEDRM
C#CCOCCC(=O)N1CC[C@H](OC)C[C@H]1C(=O)[O-]	ZINC000833364892	612978593	/nfs/dbraw/zinc/97/85/93/612978593.db2.gz	YTOHPVQZGYZMAS-QWRGUYRKSA-N	-1	0	269.297	0.117	20	30		CCEDRM
C#CCOCCC(=O)NC[C@H](CC(C)C)C(=O)[O-]	ZINC000833364394	612979933	/nfs/dbraw/zinc/97/99/33/612979933.db2.gz	QDNLWTWIJILNOO-NSHDSACASA-N	-1	0	255.314	0.889	20	30		CCEDRM
C#CCOCCC(=O)N[C@@H](Cc1ccccc1)C(=O)[O-]	ZINC000819706313	612980408	/nfs/dbraw/zinc/98/04/08/612980408.db2.gz	WASDFELXPFGKKW-ZDUSSCGKSA-N	-1	0	275.304	0.838	20	30		CCEDRM
C#CCCCNC(=O)CO[C@H]1CCCN(C(=O)[O-])C1	ZINC000823444600	612981245	/nfs/dbraw/zinc/98/12/45/612981245.db2.gz	NLRSBKVJDDQNOY-NSHDSACASA-N	-1	0	268.313	0.675	20	30		CCEDRM
C#CCCCNC(=O)NCCCN1CCN(C(=O)[O-])CC1	ZINC000823444982	612981753	/nfs/dbraw/zinc/98/17/53/612981753.db2.gz	SDNSSVKSNYVABF-UHFFFAOYSA-N	-1	0	296.371	0.385	20	30		CCEDRM
C#CCOCCNC(=O)NC[C@@H](C(=O)[O-])C(C)C	ZINC000848581849	612987136	/nfs/dbraw/zinc/98/71/36/612987136.db2.gz	XYMMKFVAJAGWFL-SNVBAGLBSA-N	-1	0	256.302	0.292	20	30		CCEDRM
C#CCOCCNC(=O)[C@H]1CCC[C@@H](C(=O)[O-])C1	ZINC000833366320	612988587	/nfs/dbraw/zinc/98/85/87/612988587.db2.gz	QWASEGBOJNSNDJ-WDEREUQCSA-N	-1	0	253.298	0.643	20	30		CCEDRM
C#CCOCCOC(=O)[C@@]1(C)CCN(C(=O)[O-])C1	ZINC000823462997	612990859	/nfs/dbraw/zinc/99/08/59/612990859.db2.gz	ITMVTVZPGOPILX-LBPRGKRZSA-N	-1	0	255.270	0.569	20	30		CCEDRM
C#CCO[N-]C(=O)CNC(=O)c1cccc(OC)c1	ZINC000812784009	612992062	/nfs/dbraw/zinc/99/20/62/612992062.db2.gz	QKYJYLNWXKSISV-UHFFFAOYSA-N	-1	0	262.265	0.106	20	30		CCEDRM
C#CCO[N-]C(=O)Cc1csc(N2CCCC2=O)n1	ZINC000812782827	612992350	/nfs/dbraw/zinc/99/23/50/612992350.db2.gz	KPKIEAFCXZKKAU-UHFFFAOYSA-N	-1	0	279.321	0.493	20	30		CCEDRM
C#CCO[N-]C(=O)[C@H](C)n1nnc(-c2ccccc2)n1	ZINC000812782554	612992958	/nfs/dbraw/zinc/99/29/58/612992958.db2.gz	XUAVYDFZEHRTAV-JTQLQIEISA-N	-1	0	271.280	0.582	20	30		CCEDRM
C#CCO[N-]C(=O)[C@H]1CC(=O)N(CC)[C@@H]1c1cccnc1	ZINC000832328553	612992981	/nfs/dbraw/zinc/99/29/81/612992981.db2.gz	NZDPBNVHKVOLCT-GXTWGEPZSA-N	-1	0	287.319	0.672	20	30		CCEDRM
C#CCO[C@@H](C)C(=O)N[C@@]1(C(=O)[O-])CCSC1	ZINC000909357599	612997277	/nfs/dbraw/zinc/99/72/77/612997277.db2.gz	OBTSRTRTROYGAU-KWQFWETISA-N	-1	0	257.311	0.101	20	30		CCEDRM
C#CCO[C@@H](C)C(=O)N[C@@H]1C[C@@H]2C[C@@H](C(=O)[O-])C[C@H]12	ZINC000907959320	612997328	/nfs/dbraw/zinc/99/73/28/612997328.db2.gz	NVGAOPWBWHPHPE-HHHUOAJASA-N	-1	0	265.309	0.640	20	30		CCEDRM
C#CCO[C@H](C)C(=O)NCc1cc(C)c(C(=O)[O-])o1	ZINC000910302005	613001870	/nfs/dbraw/zinc/00/18/70/613001870.db2.gz	BVAIRQUZGTXGGU-SECBINFHSA-N	-1	0	265.265	0.941	20	30		CCEDRM
C#CCO[C@H](C)C(=O)[N-]S(=O)(=O)c1cccs1	ZINC000835028265	613002141	/nfs/dbraw/zinc/00/21/41/613002141.db2.gz	KXUCHSFKOKVGIC-MRVPVSSYSA-N	-1	0	273.335	0.591	20	30		CCEDRM
C#CC[C@@H](CO)NC(=O)c1c(F)ccc(O)c1F	ZINC000820064992	613028638	/nfs/dbraw/zinc/02/86/38/613028638.db2.gz	QJOOPCYUESJXOX-ZETCQYMHSA-N	-1	0	255.220	0.784	20	30		CCEDRM
C#CC[C@@H](NC(=O)C1C[C@H]2CCC[C@@H](C1)C2=O)C(=O)[O-]	ZINC000910052271	613039469	/nfs/dbraw/zinc/03/94/69/613039469.db2.gz	RSJOBWNHVIMRGX-AYLPWXGPSA-N	-1	0	277.320	0.975	20	30		CCEDRM
C#CC[C@@H](NC(=O)Cn1ccc(C(F)F)n1)C(=O)[O-]	ZINC000910048788	613040274	/nfs/dbraw/zinc/04/02/74/613040274.db2.gz	OSAXQMFSAYDZGK-MRVPVSSYSA-N	-1	0	271.223	0.413	20	30		CCEDRM
C#CC[C@@H](NC(=O)[C@@H](C)Oc1cccc(CO)c1)C(=O)[O-]	ZINC000910048264	613040562	/nfs/dbraw/zinc/04/05/62/613040562.db2.gz	HNPOIYKRKDHSSA-ZWNOBZJWSA-N	-1	0	291.303	0.539	20	30		CCEDRM
C#CC[C@@H](NC(=O)[C@@H]1CCCN1C(=O)C(C)C)C(=O)[O-]	ZINC000910053058	613040861	/nfs/dbraw/zinc/04/08/61/613040861.db2.gz	NSEWLXKUKXSGOL-MNOVXSKESA-N	-1	0	280.324	0.226	20	30		CCEDRM
C#CC[C@@H](NC(=O)[C@H](O)C1CCCCC1)C(=O)[O-]	ZINC000910052298	613041192	/nfs/dbraw/zinc/04/11/92/613041192.db2.gz	SSGFMBPIUINSGN-GHMZBOCLSA-N	-1	0	253.298	0.520	20	30		CCEDRM
C#CC[C@@H](NC(=O)[C@H]1CCCN1C(=O)C(C)C)C(=O)[O-]	ZINC000910053057	613041310	/nfs/dbraw/zinc/04/13/10/613041310.db2.gz	NSEWLXKUKXSGOL-GHMZBOCLSA-N	-1	0	280.324	0.226	20	30		CCEDRM
C#CC[C@@H](NC(=O)c1cn(C)nc1C1CC1)C(=O)[O-]	ZINC000910050221	613042256	/nfs/dbraw/zinc/04/22/56/613042256.db2.gz	HEXDHXSVFNYIMK-SNVBAGLBSA-N	-1	0	261.281	0.504	20	30		CCEDRM
C#CCCOc1ccc(C(=O)N=c2nn[n-]n2CC)cc1	ZINC000891339532	613051032	/nfs/dbraw/zinc/05/10/32/613051032.db2.gz	FTUUGAKSVNWDRJ-UHFFFAOYSA-N	-1	0	285.307	0.769	20	30		CCEDRM
C#CCCS(=O)(=O)[N-]C(=O)CCOCC1CC1	ZINC000810782190	613052736	/nfs/dbraw/zinc/05/27/36/613052736.db2.gz	LTGWXDZFSBKJOT-UHFFFAOYSA-N	-1	0	259.327	0.272	20	30		CCEDRM
C#CCCS(=O)(=O)[N-]C(=O)[C@@H](C)Oc1ccccc1	ZINC000810786310	613053048	/nfs/dbraw/zinc/05/30/48/613053048.db2.gz	CILYZJPPNNCOHO-LLVKDONJSA-N	-1	0	281.333	0.923	20	30		CCEDRM
C#CCCS(=O)(=O)[N-]C(=O)[C@@H]1CCc2ccccc2O1	ZINC000842345233	613053111	/nfs/dbraw/zinc/05/31/11/613053111.db2.gz	DAKPMKQFJSNAKO-ZDUSSCGKSA-N	-1	0	293.344	0.850	20	30		CCEDRM
C#CCCS(=O)(=O)[N-]C(=O)[C@@H]1O[C@H](C)C[C@H]1C	ZINC000810785546	613053220	/nfs/dbraw/zinc/05/32/20/613053220.db2.gz	LLHYTYVDGCDCDU-OPRDCNLKSA-N	-1	0	259.327	0.269	20	30		CCEDRM
C#CCCS(=O)(=O)[N-]C(=O)c1ccc(NC(N)=O)cc1	ZINC000810785938	613053524	/nfs/dbraw/zinc/05/35/24/613053524.db2.gz	UTZIXBLPKDSKEW-UHFFFAOYSA-N	-1	0	295.320	0.260	20	30		CCEDRM
C#CCCS(=O)(=O)[N-]C(=O)c1cccc(C(=O)NC)c1	ZINC000791111281	613053600	/nfs/dbraw/zinc/05/36/00/613053600.db2.gz	RTSRZWISKCDRJY-UHFFFAOYSA-N	-1	0	294.332	0.129	20	30		CCEDRM
C#CCCS(=O)(=O)[N-]C(=O)c1ccc(C(C)=O)o1	ZINC000810785155	613053661	/nfs/dbraw/zinc/05/36/61/613053661.db2.gz	ZBIUNHHLWBCVGQ-UHFFFAOYSA-N	-1	0	269.278	0.565	20	30		CCEDRM
C#CCCS(=O)(=O)[N-]C(=O)c1ccnc2c1ncn2C	ZINC000810784574	613053849	/nfs/dbraw/zinc/05/38/49/613053849.db2.gz	KDUZLBMFHHYGAF-UHFFFAOYSA-N	-1	0	292.320	0.051	20	30		CCEDRM
C#CCCS(=O)(=O)[N-]C(=O)c1ccoc1CC	ZINC000810785877	613053880	/nfs/dbraw/zinc/05/38/80/613053880.db2.gz	SUNXULKCPYTNKG-UHFFFAOYSA-N	-1	0	255.295	0.925	20	30		CCEDRM
C#CC[C@H](NC(=O)[C@@H]1C[C@@H](C)Cc2c[nH]nc21)C(=O)[O-]	ZINC000910050905	613068995	/nfs/dbraw/zinc/06/89/95/613068995.db2.gz	PTWRBCLDAMCUKH-GDPRMGEGSA-N	-1	0	275.308	0.668	20	30		CCEDRM
C#CC[C@H](NC(=O)[C@H](CC)N1CCO[C@@H](CC)C1)C(=O)[O-]	ZINC000910050096	613069283	/nfs/dbraw/zinc/06/92/83/613069283.db2.gz	FFOPDINNDORIPK-AVGNSLFASA-N	-1	0	296.367	0.469	20	30		CCEDRM
C#CC[C@H](NC(=O)[C@H]1CCc2c[nH]nc2C1)C(=O)[O-]	ZINC000910050545	613069724	/nfs/dbraw/zinc/06/97/24/613069724.db2.gz	KPNOMEILJFWRMR-WPRPVWTQSA-N	-1	0	261.281	0.107	20	30		CCEDRM
C#CC[C@H]1CCCN(C(=O)Cn2ccc(C(=O)[O-])n2)C1	ZINC000909943208	613072136	/nfs/dbraw/zinc/07/21/36/613072136.db2.gz	MEHQWXYUMFHHDN-NSHDSACASA-N	-1	0	275.308	0.843	20	30		CCEDRM
C#CCN(C)C(=O)c1ccc([N-]S(C)(=O)=O)nc1	ZINC000861271007	613072236	/nfs/dbraw/zinc/07/22/36/613072236.db2.gz	MGHRDWMTSRJEFW-UHFFFAOYSA-N	-1	0	267.310	0.158	20	30		CCEDRM
C#C[C@@H](NC(=O)C1(C(=O)[O-])CCC1)[C@@H]1CCCO1	ZINC000911581563	613091637	/nfs/dbraw/zinc/09/16/37/613091637.db2.gz	ZAESZLACZSZZEX-ZJUUUORDSA-N	-1	0	251.282	0.538	20	30		CCEDRM
C#C[C@@H](NC(=O)CC[C@@H]1C[C@H](C(=O)[O-])CO1)[C@H]1CCCO1	ZINC000911579737	613091862	/nfs/dbraw/zinc/09/18/62/613091862.db2.gz	PGNOANMYDULIDL-UMSGYPCISA-N	-1	0	295.335	0.553	20	30		CCEDRM
C#C[C@@H](NC(=O)N1CCC[C@@H](C(=O)[O-])C1)[C@@H]1CCCO1	ZINC000874397727	613093726	/nfs/dbraw/zinc/09/37/26/613093726.db2.gz	AUZSTCSLNRXGSY-UTUOFQBUSA-N	-1	0	280.324	0.673	20	30		CCEDRM
C#C[C@@H](NC(=O)[C@H]1CC[C@@H](C(=O)[O-])C1)[C@H]1CCCO1	ZINC000911581738	613098455	/nfs/dbraw/zinc/09/84/55/613098455.db2.gz	ZPUFWNOFEIPIAC-IRCOFANPSA-N	-1	0	265.309	0.784	20	30		CCEDRM
C#C[C@@H](NC(=O)c1cc(C(=O)[O-])cnc1C)[C@@H]1CCCO1	ZINC000911577610	613098727	/nfs/dbraw/zinc/09/87/27/613098727.db2.gz	DACKLLYLABFFJJ-OLZOCXBDSA-N	-1	0	288.303	0.999	20	30		CCEDRM
C#C[C@@H](NC(=O)c1cc(C(=O)[O-])nn1C)[C@@H]1CCCO1	ZINC000911581543	613098765	/nfs/dbraw/zinc/09/87/65/613098765.db2.gz	YXRQGHYATAFLRC-KCJUWKMLSA-N	-1	0	277.280	0.029	20	30		CCEDRM
C#CCN(CC#C)CC(=O)N[C@H](C(=O)[O-])[C@@H](C)CC	ZINC000825608851	613099021	/nfs/dbraw/zinc/09/90/21/613099021.db2.gz	MQUKSIZSWZATAW-AAEUAGOBSA-N	-1	0	264.325	0.170	20	30		CCEDRM
C#C[C@H](C)NC(=O)N1CCC[C@@H](c2n[nH]c(=O)[n-]2)C1	ZINC000923218663	613115536	/nfs/dbraw/zinc/11/55/36/613115536.db2.gz	WONWVUHJVHCZQR-DTWKUNHWSA-N	-1	0	263.301	0.421	20	30		CCEDRM
C#C[C@H](CO)NC(=O)c1ccccc1S[C@H](C)C(=O)[O-]	ZINC000911612129	613129920	/nfs/dbraw/zinc/12/99/20/613129920.db2.gz	RPJFWPIDGYPBFJ-NXEZZACHSA-N	-1	0	293.344	0.976	20	30		CCEDRM
C#C[C@H](NC(=O)NCC(=O)[N-]OCC)c1ccc(F)cc1	ZINC000845531914	613138985	/nfs/dbraw/zinc/13/89/85/613138985.db2.gz	KCPNRXSWTWTXLW-LBPRGKRZSA-N	-1	0	293.298	0.867	20	30		CCEDRM
C#C[C@H](NC(=O)c1cc(C(=O)[O-])nn1C)[C@H]1CCCO1	ZINC000911581542	613148449	/nfs/dbraw/zinc/14/84/49/613148449.db2.gz	YXRQGHYATAFLRC-GZMMTYOYSA-N	-1	0	277.280	0.029	20	30		CCEDRM
C#C[C@H]1CCCN(C(=O)c2cc(C(=O)[O-])nn2C)C1	ZINC000911408168	613158335	/nfs/dbraw/zinc/15/83/35/613158335.db2.gz	AVKYANRASWEVFF-VIFPVBQESA-N	-1	0	261.281	0.604	20	30		CCEDRM
C#Cc1ccc(C(=O)N=c2nn[n-]n2C2CC2)nc1	ZINC000905839585	613176952	/nfs/dbraw/zinc/17/69/52/613176952.db2.gz	POTLDIUIABIWPG-UHFFFAOYSA-N	-1	0	254.253	0.059	20	30		CCEDRM
C#Cc1ccc(C(=O)O[C@H]2CN(C(=O)[O-])CCC2=O)nc1	ZINC000823466555	613193331	/nfs/dbraw/zinc/19/33/31/613193331.db2.gz	DMKJFEGRDUSTJD-LBPRGKRZSA-N	-1	0	288.259	0.541	20	30		CCEDRM
C#Cc1ccc(C(=O)O[C@H]2CN(C(=O)[O-])CCC2=O)cn1	ZINC000823466985	613193393	/nfs/dbraw/zinc/19/33/93/613193393.db2.gz	OFNWNVNNZYTBQV-LBPRGKRZSA-N	-1	0	288.259	0.541	20	30		CCEDRM
C#Cc1ccc(NC(=O)N2C[C@H](O)C[C@@H]2C(=O)[O-])cc1	ZINC000900355270	613195291	/nfs/dbraw/zinc/19/52/91/613195291.db2.gz	JWLONOGLVZDJSQ-VXGBXAGGSA-N	-1	0	274.276	0.720	20	30		CCEDRM
C#CCN1CCC[C@H]1C(=O)N[C@H]1CCC[C@@]1(C)C(=O)[O-]	ZINC000909998524	613202998	/nfs/dbraw/zinc/20/29/98/613202998.db2.gz	GIZKPDBWFISNMS-SLEUVZQESA-N	-1	0	278.352	0.844	20	30		CCEDRM
C#Cc1cccc(NC(=O)Cn2cc(C#N)c(=O)[n-]c2=O)c1	ZINC000917260176	613204285	/nfs/dbraw/zinc/20/42/85/613204285.db2.gz	JAPUKBVYJONTQF-UHFFFAOYSA-N	-1	0	294.270	0.441	20	30		CCEDRM
C#Cc1ccccc1CC(=O)[N-]S(=O)(=O)[C@H](C)COC	ZINC000810584553	613206797	/nfs/dbraw/zinc/20/67/97/613206797.db2.gz	DOFKRJXSDBJGHY-LLVKDONJSA-N	-1	0	295.360	0.691	20	30		CCEDRM
C#Cc1cncc(C(=O)N2CCC(C(=O)[O-])CC2)c1	ZINC000908586137	613212030	/nfs/dbraw/zinc/21/20/30/613212030.db2.gz	WSVFPQAMBRYTHV-UHFFFAOYSA-N	-1	0	258.277	1.000	20	30		CCEDRM
C#Cc1cncc(C(=O)[N-]N2C(=O)N[C@](C)(CC)C2=O)c1	ZINC000806309335	613218619	/nfs/dbraw/zinc/21/86/19/613218619.db2.gz	RBWZUBYYTODVRK-CQSZACIVSA-N	-1	0	286.291	0.428	20	30		CCEDRM
C#Cc1cncc(C(=O)N[C@]2(CC(=O)[O-])CCOC2)c1	ZINC000909699054	613222742	/nfs/dbraw/zinc/22/27/42/613222742.db2.gz	MPDSISPNMJLKKC-AWEZNQCLSA-N	-1	0	274.276	0.427	20	30		CCEDRM
C=C(C)C(C)(C)C(=O)[N-]S(=O)(=O)c1cn(C)cn1	ZINC000821366111	613244665	/nfs/dbraw/zinc/24/46/65/613244665.db2.gz	YOBPUQDFEFAMPL-UHFFFAOYSA-N	-1	0	271.342	0.827	20	30		CCEDRM
C#CCNC(=O)CN1CCc2ccccc2[C@H]1C(=O)[O-]	ZINC000043594189	613330330	/nfs/dbraw/zinc/33/03/30/613330330.db2.gz	YSGXZMKGQNFKAK-AWEZNQCLSA-N	-1	0	272.304	0.420	20	30		CCEDRM
C#CCNC(=O)COC(=O)[C@H]1CCC[C@H](NC(=O)[O-])C1	ZINC000823455220	613332265	/nfs/dbraw/zinc/33/22/65/613332265.db2.gz	AXWOVMVJECTILQ-UWVGGRQHSA-N	-1	0	282.296	0.105	20	30		CCEDRM
C=C(C)CO[N-]C(=O)CN1C(=O)N[C@@](C)(C2CC2)C1=O	ZINC000846538586	613352498	/nfs/dbraw/zinc/35/24/98/613352498.db2.gz	VVGRVTDXSFLURT-ZDUSSCGKSA-N	-1	0	281.312	0.331	20	30		CCEDRM
C=C(C)CO[N-]C(=O)CS[C@@H]1CCS(=O)(=O)C1	ZINC000846540455	613352505	/nfs/dbraw/zinc/35/25/05/613352505.db2.gz	WELKEOBGAFKKGA-SECBINFHSA-N	-1	0	279.383	0.531	20	30		CCEDRM
C=C(C)CO[N-]C(=O)CNC(=O)c1ccoc1C	ZINC000846535629	613352521	/nfs/dbraw/zinc/35/25/21/613352521.db2.gz	HPVDUMZBJDSPSI-UHFFFAOYSA-N	-1	0	252.270	0.942	20	30		CCEDRM
C=C(C)CO[N-]C(=O)[C@H](CC(N)=O)NC(=O)CC(C)C	ZINC000846534039	613353798	/nfs/dbraw/zinc/35/37/98/613353798.db2.gz	RXNKAGSVYIOXCN-JTQLQIEISA-N	-1	0	285.344	0.017	20	30		CCEDRM
C=C(C)CO[N-]C(=O)c1ccc(=O)n(CCCOC)n1	ZINC000855027203	613353899	/nfs/dbraw/zinc/35/38/99/613353899.db2.gz	ZGDAPWSBNYKVFH-UHFFFAOYSA-N	-1	0	281.312	0.517	20	30		CCEDRM
C=C(C)CS(=O)(=O)N1CCC(OCC(=O)[O-])CC1	ZINC000844793467	613354090	/nfs/dbraw/zinc/35/40/90/613354090.db2.gz	OSPIAODUCSLMHM-UHFFFAOYSA-N	-1	0	277.342	0.458	20	30		CCEDRM
C=C(C)C[C@@H](NC(=O)[C@H]1CCn2ccnc2C1)C(=O)[O-]	ZINC000910291591	613356122	/nfs/dbraw/zinc/35/61/22/613356122.db2.gz	JYFCQPJHNKXGRN-WDEREUQCSA-N	-1	0	277.324	0.981	20	30		CCEDRM
C=C(C)C[C@H](NC(=O)C1C[C@@H]2COC[C@H](C1)C2=O)C(=O)[O-]	ZINC000910293166	613358581	/nfs/dbraw/zinc/35/85/81/613358581.db2.gz	UZTDDLJKKTXPLN-YATPEIPISA-N	-1	0	295.335	0.764	20	30		CCEDRM
C=C(C)C[C@H](NC(=O)CCc1cncnc1)C(=O)[O-]	ZINC000910293155	613358695	/nfs/dbraw/zinc/35/86/95/613358695.db2.gz	UXJKERJYSYLHRM-NSHDSACASA-N	-1	0	263.297	0.945	20	30		CCEDRM
C=C(C)[C@@H](CC(=O)N1CCOC[C@@H]1c1nnn[n-]1)OCC	ZINC000913495968	613360154	/nfs/dbraw/zinc/36/01/54/613360154.db2.gz	QGQHCIJXYCIQAA-GHMZBOCLSA-N	-1	0	295.343	0.471	20	30		CCEDRM
C=C(C)[C@H](CC(=O)N1CCC(O)(C(=O)[O-])CC1)OCC	ZINC000833366662	613362093	/nfs/dbraw/zinc/36/20/93/613362093.db2.gz	BGWOHBJXYOHINP-NSHDSACASA-N	-1	0	285.340	0.796	20	30		CCEDRM
C=C(C)[C@H]1OCC[C@H]1CNC(=O)NCC(=O)[N-]OCC	ZINC000845536347	613363094	/nfs/dbraw/zinc/36/30/94/613363094.db2.gz	VVRFJGRRRYFKFU-CMPLNLGQSA-N	-1	0	285.344	0.335	20	30		CCEDRM
C=C(C)[C@H]1OCC[C@H]1CNC(=O)N1C[C@H](O)C[C@@H]1C(=O)[O-]	ZINC000908704718	613363112	/nfs/dbraw/zinc/36/31/12/613363112.db2.gz	YTECGHJGQWXSLY-IRCOFANPSA-N	-1	0	298.339	0.197	20	30		CCEDRM
C=C(Cl)C[C@@H](NC(=O)c1cc2n(n1)CCO2)C(=O)[O-]	ZINC000910267747	613388685	/nfs/dbraw/zinc/38/86/85/613388685.db2.gz	UOPISUZUZYCFKS-MRVPVSSYSA-N	-1	0	285.687	0.601	20	30		CCEDRM
C=C(Cl)C[C@@H](NC(=O)c1cn2c(n1)COCC2)C(=O)[O-]	ZINC000910271285	613388692	/nfs/dbraw/zinc/38/86/92/613388692.db2.gz	OBIZTQMLDYSCCK-MRVPVSSYSA-N	-1	0	299.714	0.739	20	30		CCEDRM
C=C(Cl)C[C@H](NC(=O)CCn1cncn1)C(=O)[O-]	ZINC000864185668	613390525	/nfs/dbraw/zinc/39/05/25/613390525.db2.gz	YXHWREXWXCTYSL-QMMMGPOBSA-N	-1	0	272.692	0.380	20	30		CCEDRM
C=C(Cl)C[C@H](NC(=O)[C@@H]1CN(CC)CCO1)C(=O)[O-]	ZINC000910268396	613390645	/nfs/dbraw/zinc/39/06/45/613390645.db2.gz	YEBOMFOYEYKTLC-UWVGGRQHSA-N	-1	0	290.747	0.419	20	30		CCEDRM
C=CC[C@@H](CO)CNC(=O)N[C@H]1C[C@@H](C(=O)[O-])C1	ZINC000874415560	613401573	/nfs/dbraw/zinc/40/15/73/613401573.db2.gz	PBLSRUGSHHTZKL-BBBLOLIVSA-N	-1	0	256.302	0.333	20	30		CCEDRM
C=C1CCC(C(=O)N2CCOC[C@@H]2c2nnn[n-]2)CC1	ZINC000913493828	613405608	/nfs/dbraw/zinc/40/56/08/613405608.db2.gz	JTQFKYLHOZQOAI-LLVKDONJSA-N	-1	0	277.328	0.846	20	30		CCEDRM
C=C1CCC(C(=O)N[C@H](C)C(=O)N[C@H](C)C(=O)[O-])CC1	ZINC000910743996	613411339	/nfs/dbraw/zinc/41/13/39/613411339.db2.gz	SQIDUQHDCGTPFI-NXEZZACHSA-N	-1	0	282.340	0.827	20	30		CCEDRM
C=C1CCC(CNC(=O)C(=O)N2CC[C@@H](C(=O)[O-])C2)CC1	ZINC000927962626	613413210	/nfs/dbraw/zinc/41/32/10/613413210.db2.gz	GNVLHUSXUNPZFC-GFCCVEGCSA-N	-1	0	294.351	0.782	20	30		CCEDRM
C=CC[C@H](CO)CNC(=O)N[C@H]1CCCN(C(=O)[O-])C1	ZINC000833370113	613415599	/nfs/dbraw/zinc/41/55/99/613415599.db2.gz	IFJHVRGPTQUURL-QWRGUYRKSA-N	-1	0	285.344	0.613	20	30		CCEDRM
CC(=O)N1CCN([C@H](C(=O)[O-])c2cccc(C#N)c2)CC1	ZINC000825840474	613418630	/nfs/dbraw/zinc/41/86/30/613418630.db2.gz	KXXRGQNVYUSVJF-AWEZNQCLSA-N	-1	0	287.319	0.848	20	30		CCEDRM
C=C[C@@H](C)O[N-]C(=O)CSCC(=O)[N-]O[C@H](C)C=C	ZINC000846544256	613443580	/nfs/dbraw/zinc/44/35/80/613443580.db2.gz	FXYXUDHUQKEIDW-NXEZZACHSA-N	-1	0	288.369	0.964	20	30		CCEDRM
C=C[C@@H](C)O[N-]C(=O)CN(C)C(=O)[C@@H](C)n1cccn1	ZINC000846550768	613443586	/nfs/dbraw/zinc/44/35/86/613443586.db2.gz	REQVESGQRCGYOR-GHMZBOCLSA-N	-1	0	280.328	0.525	20	30		CCEDRM
C=CC(C)(C)CC(=O)N[C@H](C)C(=O)N[C@@H](C)C(=O)[O-]	ZINC000910743750	613446101	/nfs/dbraw/zinc/44/61/01/613446101.db2.gz	QWTLPHHLKRMILD-BDAKNGLRSA-N	-1	0	270.329	0.683	20	30		CCEDRM
C=C[C@@H](C)O[N-]C(=O)[C@@H](c1cncn1C)N(C)C	ZINC000846555635	613447297	/nfs/dbraw/zinc/44/72/97/613447297.db2.gz	TXKXQRXGHIVHFY-MWLCHTKSSA-N	-1	0	252.318	0.645	20	30		CCEDRM
C=CC1(S(=O)(=O)[N-]C(=O)CCOC(C)C)CC1	ZINC000870832258	613450397	/nfs/dbraw/zinc/45/03/97/613450397.db2.gz	ZPMQLQKYEUACJL-UHFFFAOYSA-N	-1	0	261.343	0.966	20	30		CCEDRM
C=CC1(S(=O)(=O)[N-]C(=O)C[C@H](C)n2ccnc2)CC1	ZINC000870838818	613450795	/nfs/dbraw/zinc/45/07/95/613450795.db2.gz	NKCZRVOYCLKMSK-JTQLQIEISA-N	-1	0	283.353	0.999	20	30		CCEDRM
C=CC1(S(=O)(=O)[N-]C(=O)[C@@H](N)CC2CC2)CC1	ZINC000901060514	613450868	/nfs/dbraw/zinc/45/08/68/613450868.db2.gz	ZAWYSZSQTJHMFT-VIFPVBQESA-N	-1	0	258.343	0.278	20	30		CCEDRM
C=CC1(S(=O)(=O)[N-]C(=O)[C@@H]2CCOC[C@@H]2C)CC1	ZINC000870836623	613451157	/nfs/dbraw/zinc/45/11/57/613451157.db2.gz	IJYBISPVWIBFRO-VHSXEESVSA-N	-1	0	273.354	0.824	20	30		CCEDRM
C=CC1(S(=O)(=O)[N-]C(=O)[C@H](C)Cc2cnn(C)c2)CC1	ZINC000870837518	613451635	/nfs/dbraw/zinc/45/16/35/613451635.db2.gz	PCTFOTVVFDZDTR-SNVBAGLBSA-N	-1	0	297.380	0.763	20	30		CCEDRM
C=CC1(S(=O)(=O)[N-]C(=O)[C@H](N)c2ccccc2)CC1	ZINC000901059464	613451647	/nfs/dbraw/zinc/45/16/47/613451647.db2.gz	NYTVCSVEQRVYOP-LLVKDONJSA-N	-1	0	280.349	0.851	20	30		CCEDRM
C=C[C@@H](O)C(=O)NCCc1ccc(C(=O)[O-])cc1OC	ZINC000909628806	613451767	/nfs/dbraw/zinc/45/17/67/613451767.db2.gz	JCIHTTHEWWKHAC-LLVKDONJSA-N	-1	0	279.292	0.599	20	30		CCEDRM
C=CC1(S(=O)(=O)[N-]C(=O)c2cc3n(n2)CCO3)CC1	ZINC000870837768	613451926	/nfs/dbraw/zinc/45/19/26/613451926.db2.gz	ASFGDOWFVLBJRK-UHFFFAOYSA-N	-1	0	283.309	0.054	20	30		CCEDRM
C=C[C@@H](O)C(=O)[N-]OC[C@H](C)NC(=O)OC(C)(C)C	ZINC000935161700	613452069	/nfs/dbraw/zinc/45/20/69/613452069.db2.gz	WQYQQMALAHGIOV-DTWKUNHWSA-N	-1	0	274.317	0.494	20	30		CCEDRM
C=C[C@@H](O)C(=O)NC[C@H](SCC(=O)[O-])C(F)(F)F	ZINC000910352854	613452204	/nfs/dbraw/zinc/45/22/04/613452204.db2.gz	XNNDCEBKXIAQNQ-RITPCOANSA-N	-1	0	287.259	0.398	20	30		CCEDRM
C=C[C@@H](O)C(=O)N[C@@H]1C[C@H](C(=O)[O-])c2ccccc21	ZINC000910473190	613452681	/nfs/dbraw/zinc/45/26/81/613452681.db2.gz	HCZLOCRPBWJUMR-QJPTWQEYSA-N	-1	0	261.277	0.963	20	30		CCEDRM
C=CCC1(S(=O)(=O)[N-]C(=O)[C@@]2(C)CCOC2)CC1	ZINC000810986382	613461137	/nfs/dbraw/zinc/46/11/37/613461137.db2.gz	XPPJEROHFHQVLB-NSHDSACASA-N	-1	0	273.354	0.968	20	30		CCEDRM
C=CCC1(S(=O)(=O)[N-]C(=O)[C@H]2C[C@H]2OCC)CC1	ZINC000810986456	613461271	/nfs/dbraw/zinc/46/12/71/613461271.db2.gz	AGKATFIZNUDXLQ-VHSXEESVSA-N	-1	0	273.354	0.966	20	30		CCEDRM
C=CCC1(S(=O)(=O)[N-]C(=O)[C@@H](C)NC(C)=O)CC1	ZINC000810988770	613461446	/nfs/dbraw/zinc/46/14/46/613461446.db2.gz	QJPWOIQYQJFSSN-MRVPVSSYSA-N	-1	0	274.342	0.066	20	30		CCEDRM
C=C[C@@H]1OCC[C@H]1CNC(=O)N[C@H](CSC)C(=O)[O-]	ZINC000909247601	613469870	/nfs/dbraw/zinc/46/98/70/613469870.db2.gz	UJEZUBSVOXGHKZ-AEJSXWLSSA-N	-1	0	288.369	0.693	20	30		CCEDRM
C=CCCC[C@@H](NC(=O)[C@H](C)n1cncn1)C(=O)[O-]	ZINC000910913895	613470926	/nfs/dbraw/zinc/47/09/26/613470926.db2.gz	FPVBTFCBCMVHEE-VHSXEESVSA-N	-1	0	266.301	0.765	20	30		CCEDRM
C=CCCC[C@H](NC(=O)NCCn1cccn1)C(=O)[O-]	ZINC000905514480	613473369	/nfs/dbraw/zinc/47/33/69/613473369.db2.gz	HSZIVAQKMWNOED-NSHDSACASA-N	-1	0	280.328	0.992	20	30		CCEDRM
C=CCCC[C@H](NC(=O)[C@@H](OC)[C@H]1CCOC1)C(=O)[O-]	ZINC000910926384	613473842	/nfs/dbraw/zinc/47/38/42/613473842.db2.gz	SEMJOUWQZFIQGC-SRVKXCTJSA-N	-1	0	285.340	0.964	20	30		CCEDRM
C=C[C@@](C)(O)C(=O)NC[C@H](C(=O)[O-])c1ccccc1	ZINC000909294394	613478536	/nfs/dbraw/zinc/47/85/36/613478536.db2.gz	OZELJWFDGRDYOR-SMDDNHRTSA-N	-1	0	263.293	0.908	20	30		CCEDRM
C=C[C@@](C)(O)C(=O)N[C@H](Cc1ccc(F)cc1)C(=O)[O-]	ZINC000910904706	613478913	/nfs/dbraw/zinc/47/89/13/613478913.db2.gz	GMORAZPXSVEFGZ-BXUZGUMPSA-N	-1	0	281.283	0.875	20	30		CCEDRM
C=C[C@H](C)O[N-]C(=O)C(=O)Nc1cn(C)nc1CC	ZINC000846153935	613483655	/nfs/dbraw/zinc/48/36/55/613483655.db2.gz	MSUKLCIWNCWGDA-QMMMGPOBSA-N	-1	0	266.301	0.543	20	30		CCEDRM
C=C[C@H](C)O[N-]C(=O)C(=O)Nc1cnc(C2CC2)nc1	ZINC000846155290	613483791	/nfs/dbraw/zinc/48/37/91/613483791.db2.gz	SGCKKLMQFGBLIU-QMMMGPOBSA-N	-1	0	276.296	0.915	20	30		CCEDRM
C=C[C@H](C)O[N-]C(=O)CNS(=O)(=O)CCCC	ZINC000846546612	613484264	/nfs/dbraw/zinc/48/42/64/613484264.db2.gz	DFSORMJYDWXISL-VIFPVBQESA-N	-1	0	264.347	0.328	20	30		CCEDRM
C=C[C@H](C)O[N-]C(=O)[C@@H]1C[C@@H](O)CN1c1ccncn1	ZINC000824232513	613488246	/nfs/dbraw/zinc/48/82/46/613488246.db2.gz	JSWIBYUMPWXIAW-AXFHLTTASA-N	-1	0	278.312	0.039	20	30		CCEDRM
C=C[C@H](C)O[N-]C(=O)[C@H]1C[C@@H](O)CN1c1ccncn1	ZINC000824232518	613488264	/nfs/dbraw/zinc/48/82/64/613488264.db2.gz	JSWIBYUMPWXIAW-HBNTYKKESA-N	-1	0	278.312	0.039	20	30		CCEDRM
C=C[C@H](C)O[N-]C(=O)[C@H](CCSC)NC(N)=O	ZINC000862133138	613488339	/nfs/dbraw/zinc/48/83/39/613488339.db2.gz	TYYLUCRDDQIJFW-YUMQZZPRSA-N	-1	0	261.347	0.399	20	30		CCEDRM
C=C[C@H](O)C(=O)NCCc1ccc(C(=O)[O-])cc1OC	ZINC000909628807	613495376	/nfs/dbraw/zinc/49/53/76/613495376.db2.gz	JCIHTTHEWWKHAC-NSHDSACASA-N	-1	0	279.292	0.599	20	30		CCEDRM
C=C[C@H](O)C(=O)NC[C@@H](C(=O)[O-])C1CCCCC1	ZINC000910234495	613495911	/nfs/dbraw/zinc/49/59/11/613495911.db2.gz	SRCSUCJGPZOYNF-MNOVXSKESA-N	-1	0	255.314	0.931	20	30		CCEDRM
C=C[C@](C)(CCOC)C(=O)N1CCO[C@@](C)(C(=O)[O-])C1	ZINC000910330614	613505639	/nfs/dbraw/zinc/50/56/39/613505639.db2.gz	RVCYYBCCCOZRCO-ZIAGYGMSSA-N	-1	0	285.340	0.917	20	30		CCEDRM
CC#CCCNC(=O)N[C@@](C)(Cn1cccn1)C(=O)[O-]	ZINC000900292185	613522226	/nfs/dbraw/zinc/52/22/26/613522226.db2.gz	SMNLZBFVKFJPIL-ZDUSSCGKSA-N	-1	0	278.312	0.439	20	30		CCEDRM
CC#CCCNC(=O)N[C@@H](C[C@H]1CCCOC1)C(=O)[O-]	ZINC000909030365	613522400	/nfs/dbraw/zinc/52/24/00/613522400.db2.gz	IQCWHYOEJYCDEB-NEPJUHHUSA-N	-1	0	282.340	0.969	20	30		CCEDRM
CC#CCN1C(=O)N[C@@]2(CCCC[C@@H]2CNC(=O)[O-])C1=O	ZINC000823521982	613525042	/nfs/dbraw/zinc/52/50/42/613525042.db2.gz	OTCAYZYTKPRPAI-QMTHXVAHSA-N	-1	0	293.323	0.758	20	30		CCEDRM
C=CCCOCC(=O)N1CCC[C@@H](O)[C@H]1C(=O)[O-]	ZINC000911638406	613571285	/nfs/dbraw/zinc/57/12/85/613571285.db2.gz	KSPIACFVEWZOTB-KOLCDFICSA-N	-1	0	257.286	0.016	20	30		CCEDRM
C=CCCOCC(=O)NC[C@H]1[C@@H](C(=O)[O-])C1(F)F	ZINC000910497186	613572239	/nfs/dbraw/zinc/57/22/39/613572239.db2.gz	UYQMTLYJUVYLQL-CBAPKCEASA-N	-1	0	263.240	0.661	20	30		CCEDRM
C=CCCOCC(=O)[N-]S(=O)(=O)c1cn(C)nc1C	ZINC000809037235	613572859	/nfs/dbraw/zinc/57/28/59/613572859.db2.gz	QMEBXGDMBWHMLO-UHFFFAOYSA-N	-1	0	287.341	0.126	20	30		CCEDRM
C=CCCOCC(=O)N[C@H](CC1CCOCC1)C(=O)[O-]	ZINC000910465212	613573021	/nfs/dbraw/zinc/57/30/21/613573021.db2.gz	ISOKXNXVZZOMSL-GFCCVEGCSA-N	-1	0	285.340	0.965	20	30		CCEDRM
C=CCCOCCNC(=O)[C@H](NC(=O)[O-])C(C)C	ZINC000833375037	613575601	/nfs/dbraw/zinc/57/56/01/613575601.db2.gz	SPNKFABNPPVNDO-SNVBAGLBSA-N	-1	0	258.318	0.988	20	30		CCEDRM
C=CCCO[C@H](C)C(=O)N1CCN(C(=O)[O-])C[C@H]1C#N	ZINC000823496522	613578988	/nfs/dbraw/zinc/57/89/88/613578988.db2.gz	KRITYVTWEZTWGS-GHMZBOCLSA-N	-1	0	281.312	0.682	20	30		CCEDRM
C=CCC[C@@H](NC(=O)C(C)(C)N1CCOCC1)C(=O)[O-]	ZINC000909716687	613584601	/nfs/dbraw/zinc/58/46/01/613584601.db2.gz	BJSMUOSDGNOGFE-LLVKDONJSA-N	-1	0	284.356	0.633	20	30		CCEDRM
C=CCC[C@@H](NC(=O)[C@H]1CCc2nnc(C)n2C1)C(=O)[O-]	ZINC000909719212	613585032	/nfs/dbraw/zinc/58/50/32/613585032.db2.gz	YVRITNOXTYRHRI-WDEREUQCSA-N	-1	0	292.339	0.685	20	30		CCEDRM
C=CCC[C@@H](NS(=O)(=O)CC1(F)CC1)C(=O)[O-]	ZINC000903834939	613585619	/nfs/dbraw/zinc/58/56/19/613585619.db2.gz	XCJHGWYDVWTQAD-MRVPVSSYSA-N	-1	0	265.306	0.827	20	30		CCEDRM
C=CCC[C@@H](NS(=O)(=O)N(C)[C@@H](C)CC#N)C(=O)[O-]	ZINC000844787169	613585760	/nfs/dbraw/zinc/58/57/60/613585760.db2.gz	SUASZKQRWVVIJT-VHSXEESVSA-N	-1	0	289.357	0.474	20	30		CCEDRM
C=CCCn1cc(C(=O)[N-]S(=O)(=O)C2CCC2)nn1	ZINC000820871914	613595126	/nfs/dbraw/zinc/59/51/26/613595126.db2.gz	LAXYKEBHQTXBAH-UHFFFAOYSA-N	-1	0	284.341	0.466	20	30		CCEDRM
C=CCN(C(=O)C(=O)N1CC[C@H](C(=O)[O-])[C@@H](C)C1)C(C)C	ZINC000863748241	613601633	/nfs/dbraw/zinc/60/16/33/613601633.db2.gz	NONWFVNHANJCDW-RYUDHWBXSA-N	-1	0	296.367	0.979	20	30		CCEDRM
C=CCN(C(=O)C(=O)N1CC[C@H](C)[C@H](C(=O)[O-])C1)C(C)C	ZINC000843055175	613602149	/nfs/dbraw/zinc/60/21/49/613602149.db2.gz	FXVCVFOLPYZUFH-NWDGAFQWSA-N	-1	0	296.367	0.979	20	30		CCEDRM
CC#CCS(=O)(=O)[N-]C(=O)CC1CC(OCC)C1	ZINC000810773158	613645784	/nfs/dbraw/zinc/64/57/84/613645784.db2.gz	UMMUMILFXQUSGK-UHFFFAOYSA-N	-1	0	273.354	0.661	20	30		CCEDRM
C=CCN(C(=O)[C@@H](C)CC(=O)[O-])[C@@H]1CCS(=O)(=O)C1	ZINC000825676056	613606375	/nfs/dbraw/zinc/60/63/75/613606375.db2.gz	QHTXNTQMTDXLME-VHSXEESVSA-N	-1	0	289.353	0.299	20	30		CCEDRM
C=CCN(C(=O)[C@@H](CC)C(=O)[O-])[C@@H]1CCS(=O)(=O)C1	ZINC000908752464	613606684	/nfs/dbraw/zinc/60/66/84/613606684.db2.gz	WFXSVIMWASTJMS-NXEZZACHSA-N	-1	0	289.353	0.299	20	30		CCEDRM
C=CCN(C(=O)[C@H](CC)C(=O)[O-])[C@H]1CCS(=O)(=O)C1	ZINC000908752466	613607203	/nfs/dbraw/zinc/60/72/03/613607203.db2.gz	WFXSVIMWASTJMS-UWVGGRQHSA-N	-1	0	289.353	0.299	20	30		CCEDRM
C=CCN(CC(=O)[O-])C(=O)CN1CCCCC1=O	ZINC000864134951	613641986	/nfs/dbraw/zinc/64/19/86/613641986.db2.gz	FTOMJHHUJJOAMK-UHFFFAOYSA-N	-1	0	254.286	0.098	20	30		CCEDRM
C=CCN(CC(=O)[O-])C(=O)c1cnc(NC)s1	ZINC000909516684	613643895	/nfs/dbraw/zinc/64/38/95/613643895.db2.gz	NDQIDECVCDUWCY-UHFFFAOYSA-N	-1	0	255.299	0.898	20	30		CCEDRM
C=CCN(CC(=O)[O-])C(=O)c1csc(CO)n1	ZINC000909517059	613643906	/nfs/dbraw/zinc/64/39/06/613643906.db2.gz	YYOWGDKPNWMMBA-UHFFFAOYSA-N	-1	0	256.283	0.348	20	30		CCEDRM
CC#CCS(=O)(=O)[N-]C(=O)CCCOc1cccnc1	ZINC000810775804	613645890	/nfs/dbraw/zinc/64/58/90/613645890.db2.gz	UZYQFDHMIPHFNM-UHFFFAOYSA-N	-1	0	296.348	0.710	20	30		CCEDRM
CC#CCS(=O)(=O)[N-]C(=O)CCc1nc(C(C)C)no1	ZINC000810776627	613645893	/nfs/dbraw/zinc/64/58/93/613645893.db2.gz	APXOOYMUXDWHFR-UHFFFAOYSA-N	-1	0	299.352	0.595	20	30		CCEDRM
CC#CCS(=O)(=O)[N-]C(=O)[C@@H](C)C(=O)OC(C)(C)C	ZINC000842345285	613646195	/nfs/dbraw/zinc/64/61/95/613646195.db2.gz	DQXXNSPZANESRN-SECBINFHSA-N	-1	0	289.353	0.434	20	30		CCEDRM
CC#CCS(=O)(=O)[N-]C(=O)[C@@H]1CC1(Cl)Cl	ZINC000791111738	613646680	/nfs/dbraw/zinc/64/66/80/613646680.db2.gz	XGTZNVUBTYVFIN-LURJTMIESA-N	-1	0	270.137	0.650	20	30		CCEDRM
CC#CCS(=O)(=O)[N-]C(=O)[C@H]1CCO[C@@H](CC)C1	ZINC000810777807	613646939	/nfs/dbraw/zinc/64/69/39/613646939.db2.gz	PZZNXSFUFOVMMF-QWRGUYRKSA-N	-1	0	273.354	0.661	20	30		CCEDRM
CC#CCS(=O)(=O)[N-]C(=O)[C@]1(C)CC1(F)F	ZINC000817733030	613647084	/nfs/dbraw/zinc/64/70/84/613647084.db2.gz	SFXMMTSYGBIWKC-QMMMGPOBSA-N	-1	0	251.254	0.501	20	30		CCEDRM
CC#CCS(=O)(=O)[N-]C(=O)c1ccc(Cl)nc1	ZINC000810776625	613647608	/nfs/dbraw/zinc/64/76/08/613647608.db2.gz	AOWVSUPCKOOQOY-UHFFFAOYSA-N	-1	0	272.713	0.818	20	30		CCEDRM
CC#CCS(=O)(=O)[N-]C(=O)c1cnn(C)c1C1CC1	ZINC000810772048	613648042	/nfs/dbraw/zinc/64/80/42/613648042.db2.gz	SNNDPHJMBKTMCT-UHFFFAOYSA-N	-1	0	281.337	0.380	20	30		CCEDRM
CC#CCS(=O)(=O)[N-]C(=O)c1cnn(C)c1C(F)F	ZINC000810774857	613648068	/nfs/dbraw/zinc/64/80/68/613648068.db2.gz	OUVAHGSGVHUUSC-UHFFFAOYSA-N	-1	0	291.279	0.441	20	30		CCEDRM
CC#CC[C@@H](CO)NC(=O)c1n[n-]c2ccccc2c1=O	ZINC000844119342	613649996	/nfs/dbraw/zinc/64/99/96/613649996.db2.gz	XZIDXSYSXGPRRW-JTQLQIEISA-N	-1	0	285.303	0.840	20	30		CCEDRM
C=CCN(Cc1c[nH]c(C(=O)[O-])c1)[C@H]1CCS(=O)(=O)C1	ZINC000833374488	613651264	/nfs/dbraw/zinc/65/12/64/613651264.db2.gz	LTELZDNNGZIYQD-NSHDSACASA-N	-1	0	298.364	0.888	20	30		CCEDRM
CC(=NNCCC(=O)[O-])c1ccc(S(N)(=O)=O)cc1	ZINC000819726596	613654970	/nfs/dbraw/zinc/65/49/70/613654970.db2.gz	LJUACQSJLIJNQN-UHFFFAOYSA-N	-1	0	285.325	0.122	20	30		CCEDRM
CC(=NNCc1ccccc1)c1cn(CC(=O)[O-])nn1	ZINC000825804628	613656318	/nfs/dbraw/zinc/65/63/18/613656318.db2.gz	PWGUUEBUHYZQBS-UHFFFAOYSA-N	-1	0	273.296	0.877	20	30		CCEDRM
C=CC[N@H+]1CCC[C@@H]([N-]C(=O)C(F)(F)F)[C@H]1C(=O)[O-]	ZINC000852734390	613702937	/nfs/dbraw/zinc/70/29/37/613702937.db2.gz	APBRVEJIJNWDFT-SFYZADRCSA-N	-1	0	280.246	0.769	20	30		CCEDRM
CC(=O)N(c1nc(C=NNCC(=O)[O-])cs1)C1CC1	ZINC000814960337	613757552	/nfs/dbraw/zinc/75/75/52/613757552.db2.gz	PEPOHBQUUXPXOA-UHFFFAOYSA-N	-1	0	282.325	0.667	20	30		CCEDRM
C=CCN1CC[C@H](N2CCCC[C@@H]2C(=O)[O-])C1=O	ZINC000873646305	613778041	/nfs/dbraw/zinc/77/80/41/613778041.db2.gz	HLBMDFNDAOHWIN-WDEREUQCSA-N	-1	0	252.314	0.712	20	30		CCEDRM
C=CCNC(=O)COC(=O)c1ccc(C(=O)[O-])c(F)c1	ZINC000825687524	613848462	/nfs/dbraw/zinc/84/84/62/613848462.db2.gz	NXKDOKXYGFBDOZ-UHFFFAOYSA-N	-1	0	281.239	0.983	20	30		CCEDRM
C=CCNC(=O)[C@H](C#N)C(=O)[C@H](C)CN(C)C(=O)[O-]	ZINC000823507247	613854835	/nfs/dbraw/zinc/85/48/35/613854835.db2.gz	UNOYQAXSTKVTAW-RKDXNWHRSA-N	-1	0	267.285	0.243	20	30		CCEDRM
C=CCNC(=O)C(C#N)=C([O-])c1cn(CC=C)nn1	ZINC000842685624	613855011	/nfs/dbraw/zinc/85/50/11/613855011.db2.gz	GAMVKYDUDHGLMI-SECBINFHSA-N	-1	0	259.269	0.089	20	30		CCEDRM
C=CCOCC(=O)N1CC[C@@H](C(=O)OC)C[C@H]1C(=O)[O-]	ZINC000833376237	613879233	/nfs/dbraw/zinc/87/92/33/613879233.db2.gz	ZFSRZNROUDXQPN-ZJUUUORDSA-N	-1	0	285.296	0.054	20	30		CCEDRM
C=CCOCC(=O)NC[C@@H](Oc1ccccc1)C(=O)[O-]	ZINC000910483354	613879280	/nfs/dbraw/zinc/87/92/80/613879280.db2.gz	LKYWVPYEUAFMRR-GFCCVEGCSA-N	-1	0	279.292	0.837	20	30		CCEDRM
C=CCOCC(=O)N1C[C@H](OC)C[C@@]1(C)C(=O)[O-]	ZINC000910264625	613879334	/nfs/dbraw/zinc/87/93/34/613879334.db2.gz	OZBUOCOPJGTLAT-SKDRFNHKSA-N	-1	0	257.286	0.280	20	30		CCEDRM
C=CCOCC(=O)[N-]S(=O)(=O)C1(Cl)CC1	ZINC000893241717	613879449	/nfs/dbraw/zinc/87/94/49/613879449.db2.gz	OTJZMBKJKIZTIM-UHFFFAOYSA-N	-1	0	253.707	0.364	20	30		CCEDRM
C=CCOCC(=O)N[C@H](C(=O)[O-])c1ccccn1	ZINC000825691817	613879477	/nfs/dbraw/zinc/87/94/77/613879477.db2.gz	AAJXJSLZFNAXSH-NSHDSACASA-N	-1	0	250.254	0.526	20	30		CCEDRM
C=CCOCCCNC(=O)N1C[C@@H](F)C[C@H]1C(=O)[O-]	ZINC000849238805	613880024	/nfs/dbraw/zinc/88/00/24/613880024.db2.gz	DOPGNNDAGONPHN-UWVGGRQHSA-N	-1	0	274.292	0.786	20	30		CCEDRM
C=CCOC[C@@H](NC(=O)NCCC(C)(C)OC)C(=O)[O-]	ZINC000864545683	613881710	/nfs/dbraw/zinc/88/17/10/613881710.db2.gz	UUNRWRYIZFNBEG-SNVBAGLBSA-N	-1	0	288.344	0.757	20	30		CCEDRM
C=CCOC[C@@H](NC(=O)c1cnn(C)c1C)C(=O)[O-]	ZINC000909770802	613881858	/nfs/dbraw/zinc/88/18/58/613881858.db2.gz	LDWUASRSLDLEIJ-SNVBAGLBSA-N	-1	0	267.285	0.114	20	30		CCEDRM
C=CCOC[C@@H](NC(=O)c1cc(N(C)C)ccn1)C(=O)[O-]	ZINC000909772339	613881878	/nfs/dbraw/zinc/88/18/78/613881878.db2.gz	XWUKQMWMVIETLH-GFCCVEGCSA-N	-1	0	293.323	0.533	20	30		CCEDRM
C=CCOC[C@@H](NC(=O)c1occ2c1CCOC2)C(=O)[O-]	ZINC000909771321	613881885	/nfs/dbraw/zinc/88/18/85/613881885.db2.gz	NCQOZSZKCIJTSC-LLVKDONJSA-N	-1	0	295.291	0.738	20	30		CCEDRM
C=CCOC[C@H](NC(=O)[C@@H](C)[C@@H](C)COC)C(=O)[O-]	ZINC000909765627	613882449	/nfs/dbraw/zinc/88/24/49/613882449.db2.gz	COMYWYKUOWJGTD-DCAQKATOSA-N	-1	0	273.329	0.677	20	30		CCEDRM
C=CCOC[C@H](NC(=O)c1ccn(C)c1C)C(=O)[O-]	ZINC000851607160	613882666	/nfs/dbraw/zinc/88/26/66/613882666.db2.gz	KOPXHUARTXYNBT-NSHDSACASA-N	-1	0	266.297	0.719	20	30		CCEDRM
C=CCO[N-]C(=O)[C@@H]1CN(C(=O)OC(C)(C)C)CCN1C	ZINC000823421326	613884364	/nfs/dbraw/zinc/88/43/64/613884364.db2.gz	VHAPRCNQLHTYFQ-NSHDSACASA-N	-1	0	299.371	0.771	20	30		CCEDRM
C=CCO[N-]C(=O)[C@@H]1CS[C@]2(C)CCC(=O)N12	ZINC000837043047	613884392	/nfs/dbraw/zinc/88/43/92/613884392.db2.gz	JZCNATXIJIJYTG-GZMMTYOYSA-N	-1	0	256.327	0.674	20	30		CCEDRM
C=CCO[N-]C(=O)[C@@H](C)N1C(=O)[C@@H]2CCCC[C@@H]2C1=O	ZINC000837044555	613884458	/nfs/dbraw/zinc/88/44/58/613884458.db2.gz	OJTNLVJNKKUYMW-MXWKQRLJSA-N	-1	0	280.324	0.784	20	30		CCEDRM
C=CCS(=O)(=O)[N-]C(=O)C[C@@H]1COc2ccccc2O1	ZINC000835254676	613886142	/nfs/dbraw/zinc/88/61/42/613886142.db2.gz	YSWCXMIIWBTARB-SNVBAGLBSA-N	-1	0	297.332	0.849	20	30		CCEDRM
C=CCS(=O)(=O)[N-]C(=O)[C@@]1(CC(C)C)CCNC1=O	ZINC000870257862	613886185	/nfs/dbraw/zinc/88/61/85/613886185.db2.gz	DYVXIXQSECBQES-GFCCVEGCSA-N	-1	0	288.369	0.171	20	30		CCEDRM
C=CCS(=O)(=O)[N-]C(=O)c1ccc([N+](=O)[O-])cc1	ZINC000132791155	613886284	/nfs/dbraw/zinc/88/62/84/613886284.db2.gz	KDTFEJALHHNEMH-UHFFFAOYSA-N	-1	0	270.266	0.840	20	30		CCEDRM
C=CCS(=O)(=O)[N-]C(=O)c1cnn(C)c1-n1cccc1	ZINC000132776514	613886294	/nfs/dbraw/zinc/88/62/94/613886294.db2.gz	QKJHZIFCWZKOJA-UHFFFAOYSA-N	-1	0	294.336	0.456	20	30		CCEDRM
C=CCS(=O)(=O)[N-]C(=O)c1cccc(CC)n1	ZINC000835253611	613886296	/nfs/dbraw/zinc/88/62/96/613886296.db2.gz	PITOWJCVSFUQBM-UHFFFAOYSA-N	-1	0	254.311	0.890	20	30		CCEDRM
C=CCS(=O)(=O)[N-]C(=O)c1ccc2c(c1)N(C)CCO2	ZINC000892882360	613886357	/nfs/dbraw/zinc/88/63/57/613886357.db2.gz	JNJIMYCDTVHNET-UHFFFAOYSA-N	-1	0	296.348	0.761	20	30		CCEDRM
CC(C)NC(=O)C(C#N)=C([O-])c1ccc([N+](=O)[O-])n1C	ZINC000916946656	613933573	/nfs/dbraw/zinc/93/35/73/613933573.db2.gz	CXLKFABNURVEHY-MRVPVSSYSA-N	-1	0	278.268	0.780	20	30		CCEDRM
CC(C)(C)O[C@@H]1C[C@H]1C(=O)N[C@@H]1CCN(O)C1=O	ZINC000820132997	614015643	/nfs/dbraw/zinc/01/56/43/614015643.db2.gz	UPRWXFGWRBBEOV-IWSPIJDZSA-N	-1	0	256.302	0.296	20	30		CCEDRM
CC(C)(CNC(=O)N1CCC(C#N)CC1)NC(=O)[O-]	ZINC000823918191	614097355	/nfs/dbraw/zinc/09/73/55/614097355.db2.gz	SBEYYJGMMPNMPO-UHFFFAOYSA-N	-1	0	268.317	0.978	20	30		CCEDRM
CC(C)(CNC(=O)N1CCN(C2CC2)[C@H](C#N)C1)C(=O)[O-]	ZINC000826576543	614097856	/nfs/dbraw/zinc/09/78/56/614097856.db2.gz	KBJDQNLDFTXBOF-LLVKDONJSA-N	-1	0	294.355	0.479	20	30		CCEDRM
CC(C)(CNC(=O)[O-])C(=O)OCCn1ncc(C#N)c1N	ZINC000823972840	614103573	/nfs/dbraw/zinc/10/35/73/614103573.db2.gz	HNKADHKPYFQBIN-UHFFFAOYSA-N	-1	0	295.299	0.174	20	30		CCEDRM
CC(C)(NC(=O)c1cc(=O)[nH][n-]1)c1cccc(C#N)c1	ZINC000855361899	614164133	/nfs/dbraw/zinc/16/41/33/614164133.db2.gz	HFZSHDKHNYYLAL-UHFFFAOYSA-N	-1	0	270.292	0.785	20	30		CCEDRM
CC(C)[C@@](C)(C#N)NC(=O)CN1CCC[C@@H]1CNC(=O)[O-]	ZINC000824057990	614180195	/nfs/dbraw/zinc/18/01/95/614180195.db2.gz	UOTKMPZCAOLUCX-BXUZGUMPSA-N	-1	0	296.371	0.773	20	30		CCEDRM
CC(C)[C@H](C#N)OC(=O)[C@@H]1CN(C(=O)[O-])CCO1	ZINC000824054723	614187938	/nfs/dbraw/zinc/18/79/38/614187938.db2.gz	BXMBPSZUAGIOTJ-IUCAKERBSA-N	-1	0	256.258	0.457	20	30		CCEDRM
CC(C)[C@H](C)NC(=O)COC(=O)[C@](C)(C#N)CC(=O)[O-]	ZINC000819954936	614204960	/nfs/dbraw/zinc/20/49/60/614204960.db2.gz	DHVIRLFZJMQIQU-ZANVPECISA-N	-1	0	284.312	0.695	20	30		CCEDRM
CC(C)[C@H](NC=O)C(=O)[N-]Oc1cccc(C#N)c1	ZINC000870691069	614244027	/nfs/dbraw/zinc/24/40/27/614244027.db2.gz	KVBYHQORQSVEEZ-LBPRGKRZSA-N	-1	0	261.281	0.739	20	30		CCEDRM
CC(CCCCCCC(=O)[O-])N=NC1=NC(=O)C(=O)N1	ZINC000814890409	614378495	/nfs/dbraw/zinc/37/84/95/614378495.db2.gz	UPLYYZAOJYITHI-UHFFFAOYSA-N	-1	0	282.300	0.390	20	30		CCEDRM
CCCCO[C@H](C)C(=O)N1CCN(C(=O)[O-])C[C@@H]1C#N	ZINC000826842852	614454772	/nfs/dbraw/zinc/45/47/72/614454772.db2.gz	YCANLGBTXAXWDZ-MNOVXSKESA-N	-1	0	283.328	0.906	20	30		CCEDRM
CCCC[C@@H](CNC(=O)[O-])NC(=O)N1CCO[C@@H](C#N)C1	ZINC000826796792	614474947	/nfs/dbraw/zinc/47/49/47/614474947.db2.gz	XVDJDJWUUDXEEO-QWRGUYRKSA-N	-1	0	298.343	0.747	20	30		CCEDRM
CCC(CC)(CNC(=O)[O-])NC(=O)Cn1cnc(C#N)n1	ZINC000826545082	614524470	/nfs/dbraw/zinc/52/44/70/614524470.db2.gz	ZWKFBEAAARETRH-UHFFFAOYSA-N	-1	0	294.315	0.092	20	30		CCEDRM
CCCN(C)S(=O)(=O)[N-]C(=O)c1cc(C#N)[nH]c1C	ZINC000835219297	614524417	/nfs/dbraw/zinc/52/44/17/614524417.db2.gz	DZURNYSLXSRXFF-UHFFFAOYSA-N	-1	0	284.341	0.511	20	30		CCEDRM
CC1(C)OC[C@H]2C[C@]21C(=O)[N-]S(=O)(=O)CCC#N	ZINC000851016494	614840774	/nfs/dbraw/zinc/84/07/74/614840774.db2.gz	VRRUXJIWXQCWFT-LDYMZIIASA-N	-1	0	272.326	0.161	20	30		CCEDRM
CCCCCNC(=O)C(C#N)=C([O-])c1cn(C)nn1	ZINC000808978110	614923210	/nfs/dbraw/zinc/92/32/10/614923210.db2.gz	GUYYNYYDRGRYQA-VIFPVBQESA-N	-1	0	263.301	0.444	20	30		CCEDRM
CCN(CC(=O)[O-])S(=O)(=O)c1c(C)cccc1C#N	ZINC000871770264	614946369	/nfs/dbraw/zinc/94/63/69/614946369.db2.gz	TXZHAMQTPLRQRC-UHFFFAOYSA-N	-1	0	282.321	0.962	20	30		CCEDRM
CC1=C(C(=O)[O-])C[C@@H](Cn2c(N)nc(C#N)c2C#N)O1	ZINC000833579412	614959836	/nfs/dbraw/zinc/95/98/36/614959836.db2.gz	BTIRXBZCGMDQSQ-ZETCQYMHSA-N	-1	0	273.252	0.356	20	30		CCEDRM
CC1=C(C(=O)[O-])C[C@H](CN2CCN(CCC#N)CC2)O1	ZINC000833578577	614960857	/nfs/dbraw/zinc/96/08/57/614960857.db2.gz	KALNHGKUZWRECJ-GFCCVEGCSA-N	-1	0	279.340	0.665	20	30		CCEDRM
CCCS(=O)(=O)[N-]C(=O)Cc1cccc(OCC#N)c1	ZINC000810592215	614965903	/nfs/dbraw/zinc/96/59/03/614965903.db2.gz	RBVSGWVTJZHHPN-UHFFFAOYSA-N	-1	0	296.348	0.987	20	30		CCEDRM
CCCS(=O)(=O)[N-]c1nc2n(c1C#N)CCOC2	ZINC000903691099	614969227	/nfs/dbraw/zinc/96/92/27/614969227.db2.gz	FYTOJDMBYYNRKO-UHFFFAOYSA-N	-1	0	270.314	0.437	20	30		CCEDRM
CCN(CC)S(=O)(=O)N1CCC[C@H](C#CC(=O)[O-])C1	ZINC000899929455	615006696	/nfs/dbraw/zinc/00/66/96/615006696.db2.gz	DOFKVBPDRIVPNJ-LLVKDONJSA-N	-1	0	288.369	0.373	20	30		CCEDRM
CCC[C@@H](OCC)C(=O)[N-]S(=O)(=O)CCC#N	ZINC000860753534	615008605	/nfs/dbraw/zinc/00/86/05/615008605.db2.gz	ZMSNWROYKVRINI-SECBINFHSA-N	-1	0	262.331	0.551	20	30		CCEDRM
CCC[C@H](C#N)NC(=O)[C@@H]1CN(C(=O)[O-])CCO1	ZINC000826706933	615033307	/nfs/dbraw/zinc/03/33/07/615033307.db2.gz	UQPSLQHQXAFCML-BDAKNGLRSA-N	-1	0	255.274	0.174	20	30		CCEDRM
CCN(C[C@@H](C)C#N)c1ccc(-c2nn[nH]n2)nn1	ZINC000825399183	615062071	/nfs/dbraw/zinc/06/20/71/615062071.db2.gz	LXXIDUFMJASVAG-QMMMGPOBSA-N	-1	0	258.289	0.643	20	30		CCEDRM
CCN(C[C@H](C)C(=O)[O-])S(=O)(=O)CC(C)(C)C#N	ZINC000905989843	615065105	/nfs/dbraw/zinc/06/51/05/615065105.db2.gz	PMRNABGTQXHKQS-VIFPVBQESA-N	-1	0	276.358	0.909	20	30		CCEDRM
CCO[N-]C(=O)CNC(=O)N1Cc2cccc(C#N)c2C1	ZINC000845535104	615362385	/nfs/dbraw/zinc/36/23/85/615362385.db2.gz	LWHFXEZZOBRDEW-UHFFFAOYSA-N	-1	0	288.307	0.651	20	30		CCEDRM
CC[C@@H](C#N)NS(=O)(=O)c1ccc(OC)c(C(=O)[O-])c1	ZINC000833636169	615366635	/nfs/dbraw/zinc/36/66/35/615366635.db2.gz	JZOSGEIGMOWZQS-QMMMGPOBSA-N	-1	0	298.320	0.974	20	30		CCEDRM
CC[C@@H](NN=Cc1cc(CO)ccc1O)C(=O)[O-]	ZINC000814936751	615536452	/nfs/dbraw/zinc/53/64/52/615536452.db2.gz	ICPFZAFGXVENKI-SNVBAGLBSA-N	-1	0	252.270	0.671	20	30		CCEDRM
CC[C@@H]1CCCCN1C(=O)CN(CC#N)CC(=O)[O-]	ZINC000829118463	615551697	/nfs/dbraw/zinc/55/16/97/615551697.db2.gz	HPPHRBDLWCGFKT-LLVKDONJSA-N	-1	0	267.329	0.688	20	30		CCEDRM
CC[C@H](C#N)NS(=O)(=O)c1cc(C(=O)[O-])ccc1OC	ZINC000833636600	615599943	/nfs/dbraw/zinc/59/99/43/615599943.db2.gz	XEJQPHGZMKMRNJ-SECBINFHSA-N	-1	0	298.320	0.974	20	30		CCEDRM
CCn1nc(C=Nn2c(=O)[n-][nH]c2=O)c2ccccc21	ZINC000814233455	615674986	/nfs/dbraw/zinc/67/49/86/615674986.db2.gz	QIGIQJOBTISOPU-UHFFFAOYSA-N	-1	0	272.268	0.941	20	30		CCEDRM
CCn1ncc(C([O-])=C(C#N)C(=O)NC2CCCC2)n1	ZINC000815913413	615694516	/nfs/dbraw/zinc/69/45/16/615694516.db2.gz	RCOQMPDRRJZGGC-SNVBAGLBSA-N	-1	0	275.312	0.679	20	30		CCEDRM
CC[C@H](CC#N)NS(=O)(=O)N=[S@@](C)(=O)CC	ZINC000867108302	615704969	/nfs/dbraw/zinc/70/49/69/615704969.db2.gz	MBNRUCZIICFAOK-GLEZIHRCSA-N	-1	0	267.376	0.631	20	30		CCEDRM
CCn1nncc1C([O-])=C(C#N)C(=O)NC1CCCC1	ZINC000815913190	615752210	/nfs/dbraw/zinc/75/22/10/615752210.db2.gz	JYAAPSHJMNPRHU-SNVBAGLBSA-N	-1	0	275.312	0.679	20	30		CCEDRM
CN(C(=O)COC(=O)CC1CN(C(=O)[O-])C1)C(C)(C)C#N	ZINC000827774569	615817317	/nfs/dbraw/zinc/81/73/17/615817317.db2.gz	LLZQORHELKYFTE-UHFFFAOYSA-N	-1	0	297.311	0.290	20	30		CCEDRM
CN(C(=O)COC(=O)[C@@](C)(C#N)CC(=O)[O-])C1CC1	ZINC000820517862	615817538	/nfs/dbraw/zinc/81/75/38/615817538.db2.gz	SWGDCAAVGBUPMB-GFCCVEGCSA-N	-1	0	268.269	0.155	20	30		CCEDRM
CCn1[n-]nnc1=NC(=O)N(C)Cc1ccc(C#N)cc1	ZINC000888343414	615910078	/nfs/dbraw/zinc/91/00/78/615910078.db2.gz	IDBBMUNTUZEHLT-UHFFFAOYSA-N	-1	0	285.311	0.650	20	30		CCEDRM
CCn1[n-]nnc1=NC(=O)N(C)[C@@H]1CCC[C@H]1C#N	ZINC000888319589	615910571	/nfs/dbraw/zinc/91/05/71/615910571.db2.gz	GXVSSNBEVRCDNA-DTWKUNHWSA-N	-1	0	263.305	0.271	20	30		CCEDRM
CCn1[n-]nnc1=NC(=O)N1CCC[C@@H](CC#N)C1	ZINC000888322715	615911418	/nfs/dbraw/zinc/91/14/18/615911418.db2.gz	LLXJZLGGWMHSPH-VIFPVBQESA-N	-1	0	263.305	0.272	20	30		CCEDRM
CCn1cc(C(C)=NNc2nnc(C)c(=O)[n-]2)cn1	ZINC000920985754	615962538	/nfs/dbraw/zinc/96/25/38/615962538.db2.gz	VTBQIQATWVWNPH-UHFFFAOYSA-N	-1	0	261.289	0.938	20	30		CCEDRM
CN(CC(=O)N[C@](C)(C#N)C1CC1)[C@H]1CCN(C(=O)[O-])C1	ZINC000828102870	616049358	/nfs/dbraw/zinc/04/93/58/616049358.db2.gz	QNLQKUBMKKAEHO-SMDDNHRTSA-N	-1	0	294.355	0.479	20	30		CCEDRM
CN(CCC#N)S(=O)(=O)NC1(CC(=O)[O-])CCC1	ZINC000830726926	616067993	/nfs/dbraw/zinc/06/79/93/616067993.db2.gz	AKFNUHKVKKUIIO-UHFFFAOYSA-N	-1	0	275.330	0.064	20	30		CCEDRM
CN(CCc1cnccn1)C(=O)[C@@](C)(C#N)CC(=O)[O-]	ZINC000820597552	616126574	/nfs/dbraw/zinc/12/65/74/616126574.db2.gz	XCGCIZIHSGEQFR-CYBMUJFWSA-N	-1	0	276.296	0.482	20	30		CCEDRM
CN(Cc1ccccc1)C(=O)CN(CC#N)CC(=O)[O-]	ZINC000830852265	616169701	/nfs/dbraw/zinc/16/97/01/616169701.db2.gz	MANLUTWEPOCLGB-UHFFFAOYSA-N	-1	0	275.308	0.555	20	30		CCEDRM
COC(=O)[C@@H]1CCN1C(=O)c1cc(O)cc(C#N)c1	ZINC000888063960	616316913	/nfs/dbraw/zinc/31/69/13/616316913.db2.gz	INWQSIGOGOADQK-NSHDSACASA-N	-1	0	260.249	0.651	20	30		CCEDRM
COC1(C(=O)[N-]S(=O)(=O)CC2(C#N)CCC2)CC1	ZINC000842763549	616424472	/nfs/dbraw/zinc/42/44/72/616424472.db2.gz	NKXHXMHVJOGUNG-UHFFFAOYSA-N	-1	0	272.326	0.305	20	30		CCEDRM
COCCNC(=O)C(C#N)=C([O-])c1cn(C2CCC2)nn1	ZINC000842685115	616492438	/nfs/dbraw/zinc/49/24/38/616492438.db2.gz	RUSDWSZFSLWBOR-JTQLQIEISA-N	-1	0	291.311	0.088	20	30		CCEDRM
COC(=O)CCCS(=O)(=O)[N-]C(=O)CCCCC#N	ZINC000847646624	616541461	/nfs/dbraw/zinc/54/14/61/616541461.db2.gz	HZSQQORTNJOEMT-UHFFFAOYSA-N	-1	0	290.341	0.470	20	30		CCEDRM
COCCO[N-]C(=O)C(=O)N[C@@H](C)c1cccc(C#N)c1	ZINC000804402445	616571478	/nfs/dbraw/zinc/57/14/78/616571478.db2.gz	KSBNJBFNEDOBPI-JTQLQIEISA-N	-1	0	291.307	0.430	20	30		CCEDRM
COCCO[N-]C(=O)C(=O)NCc1ccc(CC#N)cc1	ZINC000842509056	616571586	/nfs/dbraw/zinc/57/15/86/616571586.db2.gz	GBAYOICMMBTJMX-UHFFFAOYSA-N	-1	0	291.307	0.063	20	30		CCEDRM
COC(=O)CN(CC(=O)[O-])C[C@H](O)c1ccc(C#N)cc1	ZINC000831169872	616588779	/nfs/dbraw/zinc/58/87/79/616588779.db2.gz	ATSIDXOHZGHIJO-LBPRGKRZSA-N	-1	0	292.291	0.151	20	30		CCEDRM
COC(=O)[C@H](CC(=O)[O-])NC(=O)C#Cc1ccccc1	ZINC000831066051	616589081	/nfs/dbraw/zinc/58/90/81/616589081.db2.gz	HFZCMZGYGQUUOJ-NSHDSACASA-N	-1	0	275.260	0.171	20	30		CCEDRM
COCC[C@@H](NC(=O)C1(C#N)CC2(CC2)C1)C(=O)[O-]	ZINC000923077918	616639950	/nfs/dbraw/zinc/63/99/50/616639950.db2.gz	BWLPAWGNJJMMON-SECBINFHSA-N	-1	0	266.297	0.676	20	30		CCEDRM
COC[C@H](CS(=O)(=O)[N-]C(=O)CC(C)(C)C#N)OC	ZINC000853208191	616679736	/nfs/dbraw/zinc/67/97/36/616679736.db2.gz	RBYCKUAYFKIPNT-SECBINFHSA-N	-1	0	292.357	0.034	20	30		CCEDRM
COC[C@H]1CCCN(C(=O)[C@@](C)(C#N)CC(=O)[O-])C1	ZINC000820715273	616766391	/nfs/dbraw/zinc/76/63/91/616766391.db2.gz	SFDGWGCVIZLYDH-GXFFZTMASA-N	-1	0	268.313	0.876	20	30		CCEDRM
CNC(=O)C(C#N)=C([O-])c1cnn2c1C[C@H](C)CC2	ZINC000842687715	616777895	/nfs/dbraw/zinc/77/78/95/616777895.db2.gz	AHNBFLZVNWKXCW-BDAKNGLRSA-N	-1	0	260.297	0.534	20	30		CCEDRM
CNC(=O)C(C#N)=C([O-])c1csc(-c2cnn(C)c2)n1	ZINC000917003148	616778030	/nfs/dbraw/zinc/77/80/30/616778030.db2.gz	YQVFLTCRAJIZAM-QMMMGPOBSA-N	-1	0	289.320	0.612	20	30		CCEDRM
COC(=O)c1cc(C([O-])=C(C#N)C(=O)NC2CC2)c[nH]1	ZINC000815908803	616835228	/nfs/dbraw/zinc/83/52/28/616835228.db2.gz	JQANBIGBJUIJQV-SECBINFHSA-N	-1	0	275.264	0.402	20	30		CCEDRM
COCCC1(CNC(=O)[C@@](C)(C#N)CC(=O)[O-])CC1	ZINC000820715342	616844779	/nfs/dbraw/zinc/84/47/79/616844779.db2.gz	UJYHISULAWAUEL-GFCCVEGCSA-N	-1	0	268.313	0.924	20	30		CCEDRM
COCCCOC1CN(C(=O)[C@@](C)(C#N)CC(=O)[O-])C1	ZINC000820719002	616910268	/nfs/dbraw/zinc/91/02/68/616910268.db2.gz	KSMIQXXJXCOOFE-CYBMUJFWSA-N	-1	0	284.312	0.255	20	30		CCEDRM
COCCN(CC(=O)Nc1ncc(C#N)s1)C(=O)[O-]	ZINC000828979408	616980296	/nfs/dbraw/zinc/98/02/96/616980296.db2.gz	HDLIMXAJZAHZHS-UHFFFAOYSA-N	-1	0	284.297	0.580	20	30		CCEDRM
COCCN(CC(=O)[O-])C(=O)C1(C#N)CC2(CC2)C1	ZINC000901427677	616980856	/nfs/dbraw/zinc/98/08/56/616980856.db2.gz	NTBHAGDZNCHSBJ-UHFFFAOYSA-N	-1	0	266.297	0.630	20	30		CCEDRM
CO[C@H](C)CS(=O)(=O)[N-]c1cccc(CC#N)n1	ZINC000886435978	617077024	/nfs/dbraw/zinc/07/70/24/617077024.db2.gz	NTNURQIGEFNOKN-SECBINFHSA-N	-1	0	269.326	0.924	20	30		CCEDRM
COC[C@H](C)NC(=S)NN=Cc1cc(C(=O)[O-])c(C)[nH]1	ZINC000800806186	617077963	/nfs/dbraw/zinc/07/79/63/617077963.db2.gz	AQLIUNMFHVAEBD-ZETCQYMHSA-N	-1	0	298.368	0.854	20	30		CCEDRM
CON=Cc1ccc(C(=O)N2CCOC[C@@H]2C(=O)[O-])cc1	ZINC000823846778	617106567	/nfs/dbraw/zinc/10/65/67/617106567.db2.gz	IPCSOXUTXNBSAW-GFCCVEGCSA-N	-1	0	292.291	0.593	20	30		CCEDRM
CON=Cc1ccc(C(=O)OCC(=O)NCC(=O)[O-])cc1	ZINC000820749204	617106995	/nfs/dbraw/zinc/10/69/95/617106995.db2.gz	JKTWRGHFGINURF-UHFFFAOYSA-N	-1	0	294.263	0.025	20	30		CCEDRM
CO[N-]C(=O)CNC(=O)N(C)Cc1cc(C#N)cs1	ZINC000896701203	617111120	/nfs/dbraw/zinc/11/11/20/617111120.db2.gz	AYTGNTRIFDCLDL-UHFFFAOYSA-N	-1	0	282.325	0.439	20	30		CCEDRM
CO[C@@H](C(=O)[O-])C(=O)NCC1(C#N)CCCCC1	ZINC000902071868	617128250	/nfs/dbraw/zinc/12/82/50/617128250.db2.gz	JICAXSXYLDWZSF-SECBINFHSA-N	-1	0	254.286	0.676	20	30		CCEDRM
CC(=O)CCCC(=O)[N-]S(=O)(=O)CCCC#N	ZINC000192435921	625483679	/nfs/dbraw/zinc/48/36/79/625483679.db2.gz	HOICBDRCKRBFOS-UHFFFAOYSA-N	-1	0	260.315	0.495	20	30		CCEDRM
N#Cc1ccc(OS(=O)(=O)c2cnc[n-]2)c([N+](=O)[O-])c1	ZINC000121802787	622715805	/nfs/dbraw/zinc/71/58/05/622715805.db2.gz	WXTVDBREKKOORB-UHFFFAOYSA-N	-1	0	294.248	0.957	20	30		CCEDRM
Cc1csc(C(C#N)=C([O-])c2cn(C)c(=O)n2C)n1	ZINC000892418052	623195342	/nfs/dbraw/zinc/19/53/42/623195342.db2.gz	OTFUBNVLVDKYQN-QMMMGPOBSA-N	-1	0	276.321	0.979	20	30		CCEDRM
COCCNC(=O)C(C#N)=C([O-])c1cc(OC)cs1	ZINC000177597419	623426556	/nfs/dbraw/zinc/42/65/56/623426556.db2.gz	HSEHVSWRFIVGNQ-SECBINFHSA-N	-1	0	282.321	0.842	20	30		CCEDRM
N#CC(C(=O)NC1CC1)=C([O-])c1ccnc(-n2cccn2)c1	ZINC000124058413	625652224	/nfs/dbraw/zinc/65/22/24/625652224.db2.gz	AUPCJRXMNUZNCZ-LBPRGKRZSA-N	-1	0	295.302	0.868	20	30		CCEDRM
C#C[C@H](C)NS(=O)(=O)c1ccc(C(=O)[O-])cc1C	ZINC000310916150	623592682	/nfs/dbraw/zinc/59/26/82/623592682.db2.gz	INSIATUWCSQZKF-VIFPVBQESA-N	-1	0	267.306	0.993	20	30		CCEDRM
COCCNC(=O)C(C#N)=C([O-])c1cnn(C(C)C)c1C	ZINC000181251158	623646996	/nfs/dbraw/zinc/64/69/96/623646996.db2.gz	ILFXGQIFWBGAHZ-NSHDSACASA-N	-1	0	292.339	0.858	20	30		CCEDRM
CC(C)S(=O)(=O)[N-]C(=O)CCCNC(=O)C1CC1	ZINC000049417492	624460618	/nfs/dbraw/zinc/46/06/18/624460618.db2.gz	PWDHEZRUZVTJLI-UHFFFAOYSA-N	-1	0	276.358	0.988	20	30		CCEDRM
C=C[C@@](C)(CCOC)C(=O)[N-]S(=O)(=O)N(C)CCC	ZINC000187616348	624525008	/nfs/dbraw/zinc/52/50/08/624525008.db2.gz	HSCHOKBIOAENOO-LBPRGKRZSA-N	-1	0	292.401	0.918	20	30		CCEDRM
CCOCCC(=O)[N-]S(=O)(=O)c1ccc(C#N)cc1	ZINC000176077566	624995250	/nfs/dbraw/zinc/99/52/50/624995250.db2.gz	JADOJJCRGRCNLA-UHFFFAOYSA-N	-1	0	282.321	0.790	20	30		CCEDRM
N#Cc1ccc(F)c(CNC(=O)COCC(=O)[O-])c1	ZINC000902812067	634468698	/nfs/dbraw/zinc/46/86/98/634468698.db2.gz	OJZRZUGZGWKULN-UHFFFAOYSA-N	-1	0	266.228	0.415	20	30		CCEDRM
Cn1[n-]nnc1=NC(=O)c1ccc(C(C)(C)C#N)cc1	ZINC000904194237	634714628	/nfs/dbraw/zinc/71/46/28/634714628.db2.gz	YNNWXKZXZIJCLA-UHFFFAOYSA-N	-1	0	270.296	0.685	20	30		CCEDRM
Cc1n[nH]c(C(=O)N[C@H]2CCC[C@@H](NCC#N)C2)c1[O-]	ZINC000981019600	631221459	/nfs/dbraw/zinc/22/14/59/631221459.db2.gz	FKDNPRLPFGSAGF-ZJUUUORDSA-N	-1	0	277.328	0.578	20	30		CCEDRM
O=C1[C@@H](NCc2cn3cccc(F)c3n2)CCCN1O	ZINC000895163056	631997052	/nfs/dbraw/zinc/99/70/52/631997052.db2.gz	QGFSCAJDXVVYMR-NSHDSACASA-N	-1	0	278.287	0.943	20	30		CCEDRM
N#Cc1c(Cl)nsc1N1CCOC[C@H]1C(=O)[O-]	ZINC000900945834	634126298	/nfs/dbraw/zinc/12/62/98/634126298.db2.gz	QRBSMWDHIZKXGZ-LURJTMIESA-N	-1	0	273.701	0.958	20	30		CCEDRM
N#Cc1cc2cccnc2nc1N1CCOC[C@H]1C(=O)[O-]	ZINC000900945292	634126425	/nfs/dbraw/zinc/12/64/25/634126425.db2.gz	JFPJMWLKURSWFQ-NSHDSACASA-N	-1	0	284.275	0.791	20	30		CCEDRM
C[C@@H](NC(=S)NN=Cc1cc(C(=O)[O-])nn1C)C1CC1	ZINC000901199061	634206309	/nfs/dbraw/zinc/20/63/09/634206309.db2.gz	TULLZHXTWMCMAX-SSDOTTSWSA-N	-1	0	295.368	0.715	20	30		CCEDRM
N#CC1(C(=O)NCC2(C(=O)[O-])CCOCC2)CCC1	ZINC000901703280	634268120	/nfs/dbraw/zinc/26/81/20/634268120.db2.gz	RTTVMHUGEFZFER-UHFFFAOYSA-N	-1	0	266.297	0.678	20	30		CCEDRM
N#CC1(C(=O)NCCOCC(=O)[O-])CC2(CC2)C1	ZINC000902285873	634351561	/nfs/dbraw/zinc/35/15/61/634351561.db2.gz	JBOZQKCIULIQRE-UHFFFAOYSA-N	-1	0	252.270	0.288	20	30		CCEDRM
C[C@H]1SC[C@@H](C(=O)[O-])N1S(=O)(=O)CC(C)(C)C#N	ZINC000905985155	634944115	/nfs/dbraw/zinc/94/41/15/634944115.db2.gz	DVLGMOZGXKWGMR-SFYZADRCSA-N	-1	0	292.382	0.714	20	30		CCEDRM
C=C[C@@](C)(O)C(=O)Nc1nc(CC(=O)[O-])cs1	ZINC000908579517	635415640	/nfs/dbraw/zinc/41/56/40/635415640.db2.gz	JMNAEASZUVJGMM-SNVBAGLBSA-N	-1	0	256.283	0.646	20	30		CCEDRM
CNC(=O)C(C#N)=C([O-])c1ccc(C(=O)NC2CC2)cc1	ZINC000156376697	636856886	/nfs/dbraw/zinc/85/68/86/636856886.db2.gz	WSOFDZHWKZRUQT-LBPRGKRZSA-N	-1	0	285.303	0.647	20	30		CCEDRM
C#Cc1cccc(NC(=O)N[C@@H](COC)C(=O)[O-])c1	ZINC000167553529	636967796	/nfs/dbraw/zinc/96/77/96/636967796.db2.gz	BDAHBQDOHAPRLO-NSHDSACASA-N	-1	0	262.265	0.889	20	30		CCEDRM
C=C(Br)CNC(=O)c1cn(CC(=O)[O-])nn1	ZINC000168369755	636997613	/nfs/dbraw/zinc/99/76/13/636997613.db2.gz	LOCQZNAJYFQRJD-UHFFFAOYSA-N	-1	0	289.089	0.001	20	30		CCEDRM
COC(C)(C)C(=O)[N-]S(=O)(=O)c1cccc(C#N)c1	ZINC000171698130	637141636	/nfs/dbraw/zinc/14/16/36/637141636.db2.gz	ZEZYEXZURRQSRR-UHFFFAOYSA-N	-1	0	282.321	0.788	20	30		CCEDRM
CC(C)(CCC(=O)[O-])NS(=O)(=O)c1cccnc1C#N	ZINC000232525791	637262561	/nfs/dbraw/zinc/26/25/61/637262561.db2.gz	LCWUOPFGNZNTAW-UHFFFAOYSA-N	-1	0	297.336	0.875	20	30		CCEDRM
COCCNC(=O)C(C#N)=C([O-])c1cccc(OC)c1	ZINC000193411540	637735381	/nfs/dbraw/zinc/73/53/81/637735381.db2.gz	JZDJCVBQWSTUAY-LBPRGKRZSA-N	-1	0	276.292	0.780	20	30		CCEDRM
Cc1nnc(NN=Cc2cccc(O)c2O)[n-]c1=O	ZINC000916283100	637894730	/nfs/dbraw/zinc/89/47/30/637894730.db2.gz	YQDFBWKTXTZFOX-UHFFFAOYSA-N	-1	0	261.241	0.743	20	30		CCEDRM
N#CC(C(=O)N1CCCC1)=C([O-])c1ccc(C(N)=O)cc1	ZINC000916869121	637929631	/nfs/dbraw/zinc/92/96/31/637929631.db2.gz	AZMLGTOXKJJDSQ-LBPRGKRZSA-N	-1	0	285.303	0.730	20	30		CCEDRM
CC[C@H](NS(=O)(=O)c1cccc(F)c1C#N)C(=O)[O-]	ZINC000070393967	638482810	/nfs/dbraw/zinc/48/28/10/638482810.db2.gz	QGXUQBUBHOTTKB-VIFPVBQESA-N	-1	0	286.284	0.839	20	30		CCEDRM
C[C@@H](C(=O)[O-])[C@H](C)NC(=O)[C@@]1(C#N)CCCOC1	ZINC000923077760	640015095	/nfs/dbraw/zinc/01/50/95/640015095.db2.gz	YUQXPMZZNVSYSB-VDDIYKPWSA-N	-1	0	254.286	0.532	20	30		CCEDRM
N#C[C@@]1(C(=O)N[C@H](CC(F)(F)F)C(=O)[O-])CCCOC1	ZINC000923077602	640015362	/nfs/dbraw/zinc/01/53/62/640015362.db2.gz	UJRHOFYZISBDLW-XCBNKYQSSA-N	-1	0	294.229	0.829	20	30		CCEDRM
C[C@@H](CNC(=O)[C@]1(C#N)CCCOC1)CC(=O)[O-]	ZINC000923072210	640016355	/nfs/dbraw/zinc/01/63/55/640016355.db2.gz	ZWLARBMIKFEBOG-SKDRFNHKSA-N	-1	0	254.286	0.534	20	30		CCEDRM
N#C[C@@]1(C(=O)N2C[C@@H](C(=O)[O-])[C@H](C3CC3)C2)CCCOC1	ZINC000923086771	640020348	/nfs/dbraw/zinc/02/03/48/640020348.db2.gz	RAEUAIAMXAWPOY-ZOWXZIJZSA-N	-1	0	292.335	0.876	20	30		CCEDRM
C[C@@]1(C(=O)[O-])CN(C(=O)C2(C#N)CC3(CC3)C2)CCO1	ZINC000923099349	640020985	/nfs/dbraw/zinc/02/09/85/640020985.db2.gz	BDVWYIDSAICSIE-LBPRGKRZSA-N	-1	0	278.308	0.772	20	30		CCEDRM
Cc1oc(C#N)cc1C(=O)N1CCO[C@H](c2nnn[n-]2)C1	ZINC000797864378	640468881	/nfs/dbraw/zinc/46/88/81/640468881.db2.gz	GSQHQQQIGBVDNI-JTQLQIEISA-N	-1	0	288.267	0.187	20	30		CCEDRM
N#Cc1cccc(C2(NC(=O)c3cc(=O)[nH][n-]3)CC2)c1	ZINC000803807395	640747866	/nfs/dbraw/zinc/74/78/66/640747866.db2.gz	JSSSECYEFYJQJC-UHFFFAOYSA-N	-1	0	268.276	0.539	20	30		CCEDRM
N#Cc1ccc(S(=O)(=O)N(CCC(=O)[O-])C2CC2)o1	ZINC000806635893	640793893	/nfs/dbraw/zinc/79/38/93/640793893.db2.gz	HJNAFJVGUGNJLI-UHFFFAOYSA-N	-1	0	284.293	0.779	20	30		CCEDRM
Cn1cc(C([O-])=C(C#N)C(=O)NCc2ccccc2)nn1	ZINC000808979907	640882372	/nfs/dbraw/zinc/88/23/72/640882372.db2.gz	OUAJKBABGPMXJX-NSHDSACASA-N	-1	0	283.291	0.454	20	30		CCEDRM
N#Cc1cccc(C(=O)[N-]S(=O)(=O)C[C@H]2CCOC2)n1	ZINC000810643914	640942829	/nfs/dbraw/zinc/94/28/29/640942829.db2.gz	OJDVTOCJUQBDLM-VIFPVBQESA-N	-1	0	295.320	0.049	20	30		CCEDRM
CC#CCS(=O)(=O)[N-]C(=O)c1cnc(C)nc1C	ZINC000810771203	640948729	/nfs/dbraw/zinc/94/87/29/640948729.db2.gz	HYFARTJMKRSYKE-UHFFFAOYSA-N	-1	0	267.310	0.176	20	30		CCEDRM
CC#CCS(=O)(=O)[N-]C(=O)c1cncc(CC)c1	ZINC000810776097	640949367	/nfs/dbraw/zinc/94/93/67/640949367.db2.gz	FXLFLPBBVZQWFE-UHFFFAOYSA-N	-1	0	266.322	0.727	20	30		CCEDRM
Cc1ccnc(S(=O)(=O)[N-]C(=O)CCCC#N)c1	ZINC000813068226	641020927	/nfs/dbraw/zinc/02/09/27/641020927.db2.gz	JAJZFGUGSBLQAH-UHFFFAOYSA-N	-1	0	267.310	0.889	20	30		CCEDRM
Cc1c[nH]cc1C(=O)[N-]S(=O)(=O)c1cncc(C#N)c1	ZINC000813984059	641052181	/nfs/dbraw/zinc/05/21/81/641052181.db2.gz	NOTHZJWJJYCZSR-UHFFFAOYSA-N	-1	0	290.304	0.709	20	30		CCEDRM
N#Cc1cncc(S(=O)(=O)[N-]C(=O)C[C@H]2CCCO2)c1	ZINC000813984848	641052348	/nfs/dbraw/zinc/05/23/48/641052348.db2.gz	CYQZIHSYPOHYPV-SNVBAGLBSA-N	-1	0	295.320	0.327	20	30		CCEDRM
Cc1cnn(C)c1S(=O)(=O)[N-]C(=O)c1ccc(C#N)o1	ZINC000813990972	641053026	/nfs/dbraw/zinc/05/30/26/641053026.db2.gz	YGADYNBRXDSQEM-UHFFFAOYSA-N	-1	0	294.292	0.312	20	30		CCEDRM
Cn1cc(C=Nn2c(=O)[n-][nH]c2=O)c(C(F)F)n1	ZINC000814231242	641061343	/nfs/dbraw/zinc/06/13/43/641061343.db2.gz	RFMDZVLYHKDRMN-UHFFFAOYSA-N	-1	0	258.188	0.243	20	30		CCEDRM
O=c1[n-][nH]c(=O)n1N=Cc1csc(C2CC2)n1	ZINC000814233193	641062272	/nfs/dbraw/zinc/06/22/72/641062272.db2.gz	FPORNCVAYKGHEX-UHFFFAOYSA-N	-1	0	251.271	0.905	20	30		CCEDRM
O=C([O-])C1CC(=NNS(=O)(=O)c2ccccc2)C1	ZINC000814693958	641074152	/nfs/dbraw/zinc/07/41/52/641074152.db2.gz	PRTGPLNFKNMRBC-UHFFFAOYSA-N	-1	0	268.294	0.816	20	30		CCEDRM
Cc1nn2c(nc3ccccc3c2=O)c1=CNNCC(=O)[O-]	ZINC000814959064	641084537	/nfs/dbraw/zinc/08/45/37/641084537.db2.gz	JXCWRXJHOCQUSL-UHFFFAOYSA-N	-1	0	299.290	0.492	20	30		CCEDRM
N#Cc1cscc1C(=O)N1CCO[C@H](c2nnn[n-]2)C1	ZINC000815519940	641114869	/nfs/dbraw/zinc/11/48/69/641114869.db2.gz	MHNRLHLNYBNFPJ-VIFPVBQESA-N	-1	0	290.308	0.347	20	30		CCEDRM
Cc1ccnc(S(=O)(=O)[N-]C(=O)CC2(C#N)CC2)c1	ZINC000815949617	641131975	/nfs/dbraw/zinc/13/19/75/641131975.db2.gz	SFNFQIFALDYUAE-UHFFFAOYSA-N	-1	0	279.321	0.889	20	30		CCEDRM
N#CCc1cccc(C(=O)Nn2c(=O)[n-][nH]c2=O)c1	ZINC000816731088	641203308	/nfs/dbraw/zinc/20/33/08/641203308.db2.gz	APCPBOILAHOCKL-UHFFFAOYSA-N	-1	0	259.225	0.139	20	30		CCEDRM
Cc1cccc2ncc(C(=O)N[C@H]3CCN(O)C3=O)n21	ZINC000820131777	641464369	/nfs/dbraw/zinc/46/43/69/641464369.db2.gz	LLANCXJDRXWEHE-VIFPVBQESA-N	-1	0	274.280	0.363	20	30		CCEDRM
O=C(N[C@@H]1CCN(O)C1=O)c1ccc2[n-]c(=S)oc2c1	ZINC000820174188	641478791	/nfs/dbraw/zinc/47/87/91/641478791.db2.gz	HHHXOSBRBGRPTC-MRVPVSSYSA-N	-1	0	293.304	0.836	20	30		CCEDRM
O=C(N[C@H]1CCN(O)C1=O)c1ccc2[n-]c(=S)oc2c1	ZINC000820174190	641479256	/nfs/dbraw/zinc/47/92/56/641479256.db2.gz	HHHXOSBRBGRPTC-QMMMGPOBSA-N	-1	0	293.304	0.836	20	30		CCEDRM
COc1ccc(C#N)cc1NCC(=O)NCC(=O)[O-]	ZINC000820814667	641537823	/nfs/dbraw/zinc/53/78/23/641537823.db2.gz	HQQLKEROHSITJS-UHFFFAOYSA-N	-1	0	263.253	0.180	20	30		CCEDRM
N#CCCS(=O)(=O)[N-]C(=O)[C@H]1COc2ccccc2C1	ZINC000821584273	641611762	/nfs/dbraw/zinc/61/17/62/641611762.db2.gz	WZFWWSKCPKPXAB-LLVKDONJSA-N	-1	0	294.332	0.597	20	30		CCEDRM
C[C@@H]1CC(=NC(=O)c2ccc3oc(=O)nc-3[n-]2)NO1	ZINC000831399807	642358971	/nfs/dbraw/zinc/35/89/71/642358971.db2.gz	RGJUAGYCEJJRBX-RXMQYKEDSA-N	-1	0	262.225	0.781	20	30		CCEDRM
C#CCOCCNS(=O)(=O)c1cccc(Cl)c1[O-]	ZINC000867093979	642538048	/nfs/dbraw/zinc/53/80/48/642538048.db2.gz	DIFFHRYQOIUWRS-UHFFFAOYSA-N	-1	0	289.740	0.974	20	30		CCEDRM
N#CCCS(=O)(=O)[N-]C(=O)[C@@H]1CC12CCCC2	ZINC000835410207	642661029	/nfs/dbraw/zinc/66/10/29/642661029.db2.gz	FYYVTTSMSXGHGK-VIFPVBQESA-N	-1	0	256.327	0.926	20	30		CCEDRM
C#CCO[C@@H](C)C(=O)[N-]S(=O)(=O)Cc1ccc(C)cc1	ZINC000835444012	642663036	/nfs/dbraw/zinc/66/30/36/642663036.db2.gz	ULBJFQJLRFOQOY-LBPRGKRZSA-N	-1	0	295.360	0.979	20	30		CCEDRM
C#CCO[C@@H](C)C(=O)[N-]S(=O)(=O)[C@H]1C[C@@H]2CC[C@H]1C2	ZINC000835738670	642673646	/nfs/dbraw/zinc/67/36/46/642673646.db2.gz	FZODIOFSPUXZCD-USZNOCQGSA-N	-1	0	285.365	0.659	20	30		CCEDRM
C#CCCCC(=O)[N-]S(=O)(=O)c1ccc(F)cn1	ZINC000836042685	642683770	/nfs/dbraw/zinc/68/37/70/642683770.db2.gz	CGDVLBYKAWHADB-UHFFFAOYSA-N	-1	0	270.285	0.829	20	30		CCEDRM
Cc1cccc(S(=O)(=O)NC[C@@H](F)C(=O)[O-])c1C#N	ZINC000837296928	642735893	/nfs/dbraw/zinc/73/58/93/642735893.db2.gz	VLYPYDBOMDATQI-SECBINFHSA-N	-1	0	286.284	0.568	20	30		CCEDRM
C[C@H](C(=O)[N-]S(=O)(=O)CCC#N)C(=O)OC(C)(C)C	ZINC000842354101	642893382	/nfs/dbraw/zinc/89/33/82/642893382.db2.gz	LWUXWHKWUZFLFW-MRVPVSSYSA-N	-1	0	290.341	0.324	20	30		CCEDRM
N#Cc1cccc(S(=O)(=O)[N-]C(=O)[C@@H]2CCC(=O)C2)c1	ZINC000842676823	642931323	/nfs/dbraw/zinc/93/13/23/642931323.db2.gz	NFGQMVBHKANCFO-SNVBAGLBSA-N	-1	0	292.316	0.732	20	30		CCEDRM
N#Cc1cccc(S(=O)(=O)[N-]C(=O)C2(F)CC2)c1	ZINC000842676753	642931443	/nfs/dbraw/zinc/93/14/43/642931443.db2.gz	KPHSBSMZBDBLSW-UHFFFAOYSA-N	-1	0	268.269	0.865	20	30		CCEDRM
Cc1noc(C)c1S(=O)(=O)[N-]C(=O)[C@@H](C)CC#N	ZINC000850733426	643810437	/nfs/dbraw/zinc/81/04/37/643810437.db2.gz	MZYJCHMFFFMBSD-LURJTMIESA-N	-1	0	271.298	0.646	20	30		CCEDRM
Cc1ccoc1CC(=O)[N-]S(=O)(=O)CCCC#N	ZINC000850925700	643822888	/nfs/dbraw/zinc/82/28/88/643822888.db2.gz	BPBDQTLBCQGUSG-UHFFFAOYSA-N	-1	0	270.310	0.880	20	30		CCEDRM
C[C@@H](CC#N)C(=O)[N-]S(=O)(=O)c1cnc2n1CCC2	ZINC000850971444	643824289	/nfs/dbraw/zinc/82/42/89/643824289.db2.gz	LTCISFUPFNLGRE-QMMMGPOBSA-N	-1	0	282.325	0.184	20	30		CCEDRM
C[C@H](CC#N)C(=O)[N-]S(=O)(=O)c1cnn(CC2CC2)c1	ZINC000850971921	643825098	/nfs/dbraw/zinc/82/50/98/643825098.db2.gz	DVBVBOHPCWVCKB-SECBINFHSA-N	-1	0	296.352	0.648	20	30		CCEDRM
Cc1ccn2cnc(C(=O)[N-]S(=O)(=O)CCC#N)c2c1	ZINC000851016044	643826301	/nfs/dbraw/zinc/82/63/01/643826301.db2.gz	LZQSGZACIFCOQA-UHFFFAOYSA-N	-1	0	292.320	0.616	20	30		CCEDRM
C#CCCCCNC(=O)c1c[n-]n2c1nccc2=O	ZINC000857150749	644476493	/nfs/dbraw/zinc/47/64/93/644476493.db2.gz	IJYSTDGUJCNZKC-UHFFFAOYSA-N	-1	0	258.281	0.556	20	30		CCEDRM
Cc1cc(C(=O)[N-]S(=O)(=O)CCC#N)c2nccn2c1	ZINC000860751365	644826296	/nfs/dbraw/zinc/82/62/96/644826296.db2.gz	CVHFJVGBGILMNR-UHFFFAOYSA-N	-1	0	292.320	0.616	20	30		CCEDRM
CC1(C)C[C@@H](C(=O)[N-]S(=O)(=O)CCC#N)C(C)(C)O1	ZINC000860751955	644826810	/nfs/dbraw/zinc/82/68/10/644826810.db2.gz	IMJMHWHEYLMUNZ-VIFPVBQESA-N	-1	0	288.369	0.940	20	30		CCEDRM
N#CC1(C(=O)NC[C@H]2CCO[C@H]2C(=O)[O-])CCCC1	ZINC000864214412	645189842	/nfs/dbraw/zinc/18/98/42/645189842.db2.gz	HGYKXODVZXHFGX-NXEZZACHSA-N	-1	0	266.297	0.676	20	30		CCEDRM
C=CCSCCNS(=O)(=O)N=[S@](C)(=O)CC	ZINC000866647101	645560085	/nfs/dbraw/zinc/56/00/85/645560085.db2.gz	BSACILJZQYWXJN-OAHLLOKOSA-N	-1	0	286.444	0.858	20	30		CCEDRM
Cc1ccn(C[C@H](C)C(=O)N[C@H]2CCCN(O)C2=O)n1	ZINC000868562230	645786019	/nfs/dbraw/zinc/78/60/19/645786019.db2.gz	DXQMOURRQFZGQJ-ONGXEEELSA-N	-1	0	280.328	0.324	20	30		CCEDRM
N#Cc1cccc(O[N-]C(=O)C2CS(=O)(=O)C2)c1	ZINC000870689995	646017789	/nfs/dbraw/zinc/01/77/89/646017789.db2.gz	GRHGVYVYTDJFJQ-UHFFFAOYSA-N	-1	0	266.278	0.013	20	30		CCEDRM
N#Cc1ccc2c(c1)C[C@H](NC(=O)N1CC(C(=O)[O-])C1)C2	ZINC000874420870	646458945	/nfs/dbraw/zinc/45/89/45/646458945.db2.gz	VGJZHGMMKUKXOB-CYBMUJFWSA-N	-1	0	285.303	0.751	20	30		CCEDRM
O=C(Nc1ccc(C2CC2)nn1)N[C@H]1CCCN(O)C1=O	ZINC000828012270	648306827	/nfs/dbraw/zinc/30/68/27/648306827.db2.gz	HUVWKLJBWSRRBB-JTQLQIEISA-N	-1	0	291.311	0.856	20	30		CCEDRM
Cn1cc(S(=O)(=O)[N-]C(=O)c2ccoc2)cc1C(N)=O	ZINC000042345503	649287843	/nfs/dbraw/zinc/28/78/43/649287843.db2.gz	NIAVSAVUVNSIEK-UHFFFAOYSA-N	-1	0	297.292	0.411	20	30		CCEDRM
CC#CCNC(=O)c1ccc2c(c1)[n-]c(=S)[nH]c2=O	ZINC000155906209	649294056	/nfs/dbraw/zinc/29/40/56/649294056.db2.gz	RJDUPJQDJLEHIY-UHFFFAOYSA-N	-1	0	273.317	0.965	20	30		CCEDRM
C#CCCCC(=O)[N-]S(=O)(=O)c1c(C)nn(C)c1C	ZINC000191016063	649465501	/nfs/dbraw/zinc/46/55/01/649465501.db2.gz	FXUUUZVBILNLBH-UHFFFAOYSA-N	-1	0	283.353	0.645	20	30		CCEDRM
COCCNC(=O)C(C#N)=C([O-])c1cccc(COC)c1	ZINC000193416535	649538093	/nfs/dbraw/zinc/53/80/93/649538093.db2.gz	QBCFVGKSGOCIJH-CYBMUJFWSA-N	-1	0	290.319	0.918	20	30		CCEDRM
C=CCN(CC(=O)[O-])C(=O)CN(C)C(=O)c1cccs1	ZINC000092463385	649723928	/nfs/dbraw/zinc/72/39/28/649723928.db2.gz	RSLZVYCCLXDOAP-UHFFFAOYSA-N	-1	0	296.348	0.919	20	30		CCEDRM
C#CCN(CC(=O)[O-])S(=O)(=O)N1CCCC[C@@H]1C	ZINC000092479808	649724388	/nfs/dbraw/zinc/72/43/88/649724388.db2.gz	IBTFWALSTMRKSW-JTQLQIEISA-N	-1	0	274.342	0.125	20	30		CCEDRM
C#CC[C@H](NC(=O)[C@@H]1[C@H](C)O[C@@H](C)[C@H]1C)C(=O)[O-]	ZINC000252703332	649833562	/nfs/dbraw/zinc/83/35/62/649833562.db2.gz	VYYJAUGSZCUUIM-NMUGVGKYSA-N	-1	0	253.298	0.639	20	30		CCEDRM
COC(=O)c1cnc(OC2CN(CCC#N)C2)[n-]1	ZINC001230281716	805591513	/nfs/dbraw/zinc/59/15/13/805591513.db2.gz	FFMIWSAHCJPQGK-UHFFFAOYSA-N	-1	0	250.258	0.173	20	30		CCEDRM
CCCn1nccc1NC(=N[O-])c1nonc1N	ZINC001210912971	790997047	/nfs/dbraw/zinc/99/70/47/790997047.db2.gz	RCJIEBDXUNXOJL-UHFFFAOYSA-N	-1	0	251.250	0.506	20	30		CCEDRM
CS(=O)(=O)C1CN(Cc2cc(C#N)ccc2[O-])C1	ZINC001232679806	805970383	/nfs/dbraw/zinc/97/03/83/805970383.db2.gz	SGWFOWDBEVRPRI-UHFFFAOYSA-N	-1	0	266.322	0.493	20	30		CCEDRM
N#Cc1nccc2cc(N[C@@H]3CO[N-]C3=O)ccc21	ZINC001167522881	791509575	/nfs/dbraw/zinc/50/95/75/791509575.db2.gz	TVKJCWUYMYBBQR-GFCCVEGCSA-N	-1	0	254.249	0.948	20	30		CCEDRM
C=C1O[C@H](CC)C(=O)C1Oc1[nH]c(=O)nc2cn[n-]c21	ZINC001233939019	806152823	/nfs/dbraw/zinc/15/28/23/806152823.db2.gz	GJISXKLZRNHPSO-SSDOTTSWSA-N	-1	0	276.252	0.634	20	30		CCEDRM
COC(C)(C)[C@@H](C)Nc1[n-]c(=O)n(C)c(=O)c1C#N	ZINC001120875469	798953676	/nfs/dbraw/zinc/95/36/76/798953676.db2.gz	XFJPRQDKQSEVRR-SSDOTTSWSA-N	-1	0	266.301	0.171	20	30		CCEDRM
CS[C@H]1C[C@H](Nc2[n-]c(=O)n(C)c(=O)c2C#N)C1	ZINC001120954206	798968439	/nfs/dbraw/zinc/96/84/39/798968439.db2.gz	DZMVQIVSKQODHM-LJGSYFOKSA-N	-1	0	266.326	0.251	20	30		CCEDRM
C#CCOCCNC(=O)N1C[C@@H](C(=O)[O-])CC[C@H]1C	ZINC001121816432	799073220	/nfs/dbraw/zinc/07/32/20/799073220.db2.gz	BYBIPPJWRZDZLZ-MNOVXSKESA-N	-1	0	268.313	0.531	20	30		CCEDRM
CC(=O)c1cncc(C([O-])=C(C#N)C(=O)NC2CC2)c1	ZINC001122428301	799232979	/nfs/dbraw/zinc/23/29/79/799232979.db2.gz	WSGGFPXBKFJJBW-GFCCVEGCSA-N	-1	0	271.276	0.885	20	30		CCEDRM
COCCNC(=O)C(C#N)=C([O-])c1cc2cccn2cn1	ZINC001122447154	799237346	/nfs/dbraw/zinc/23/73/46/799237346.db2.gz	AIJVNQOCMPWKBM-LLVKDONJSA-N	-1	0	286.291	0.419	20	30		CCEDRM
COc1nn(C)cc1C([O-])=C(C#N)C(=O)NC(C)C	ZINC001122547869	799260124	/nfs/dbraw/zinc/26/01/24/799260124.db2.gz	YWVLSBUXTVLQAF-MRVPVSSYSA-N	-1	0	264.285	0.276	20	30		CCEDRM
C=C(C)C[C@H](NC(=O)[C@@H]1OC[C@@H]2COCC[C@H]12)C(=O)[O-]	ZINC001123385240	799402235	/nfs/dbraw/zinc/40/22/35/799402235.db2.gz	QKMODPVZLYLKOW-FIQHERPVSA-N	-1	0	283.324	0.574	20	30		CCEDRM
O=C(/C=C\c1ccccc1F)N[C@H]1CCN(O)C1=O	ZINC001141380137	800003650	/nfs/dbraw/zinc/00/36/50/800003650.db2.gz	HLCBPHIFERIHHT-GZTOBOFZSA-N	-1	0	264.256	0.945	20	30		CCEDRM
C#CC[C@H](NC(=O)c1cccc(F)c1[O-])C(=O)OC	ZINC001141998023	800054859	/nfs/dbraw/zinc/05/48/59/800054859.db2.gz	FUYOEQDTRXYOJG-JTQLQIEISA-N	-1	0	265.240	0.826	20	30		CCEDRM
Cn1cc([C@@H](O)C(=O)[N-]Oc2cccc(C#N)c2)cn1	ZINC001151432478	800425151	/nfs/dbraw/zinc/42/51/51/800425151.db2.gz	ZYLQEDJMBPVZLI-GFCCVEGCSA-N	-1	0	272.264	0.435	20	30		CCEDRM
CCN(Cc1n[nH]c(=O)[n-]1)[C@H](C)CNC(=O)C#CC(C)C	ZINC001153207276	800609921	/nfs/dbraw/zinc/60/99/21/800609921.db2.gz	FBJUCQWMNIBMAQ-LLVKDONJSA-N	-1	0	293.371	0.496	20	30		CCEDRM
N#Cc1cc2c(nc1N[C@@H]1SC(=O)[N-]C1=O)CCOC2	ZINC001155844520	801065533	/nfs/dbraw/zinc/06/55/33/801065533.db2.gz	NYKJGDGALBETAS-LLVKDONJSA-N	-1	0	290.304	0.747	20	30		CCEDRM
N#Cc1cnc2ccnn2c1[N-]S(=O)(=O)C1CC1	ZINC001259270251	808742262	/nfs/dbraw/zinc/74/22/62/808742262.db2.gz	FLGYGBDJQVGKMS-UHFFFAOYSA-N	-1	0	263.282	0.505	20	30		CCEDRM
C=CCS(=O)(=O)[N-]c1c(F)cccc1C(N)=O	ZINC001259931785	808809343	/nfs/dbraw/zinc/80/93/43/808809343.db2.gz	CPKKDLAJNWWBND-UHFFFAOYSA-N	-1	0	258.274	0.852	20	30		CCEDRM
C=C[C@H](C)O[N-]C(=O)Cn1nnnc1-c1ccccc1	ZINC001164415064	802738575	/nfs/dbraw/zinc/73/85/75/802738575.db2.gz	WCVNTJDGBGYVLI-JTQLQIEISA-N	-1	0	273.296	0.962	20	30		CCEDRM
N#Cc1c[n-]c(=O)n(Cc2cnc(Cl)c(F)c2)c1=O	ZINC001166384792	802903703	/nfs/dbraw/zinc/90/37/03/802903703.db2.gz	UZWZBTYNHJESEB-UHFFFAOYSA-N	-1	0	280.646	0.644	20	30		CCEDRM
C=CCOC[C@@H](CS(=O)(=O)[O-])OCCC(=O)OC	ZINC001205059299	803116827	/nfs/dbraw/zinc/11/68/27/803116827.db2.gz	QXLYWPKNZWATBU-VIFPVBQESA-N	-1	0	282.314	0.025	20	30		CCEDRM
CN1CCO[C@H]2CN(C(=O)CCC(=O)C3=CC=C[CH]3)C[C@@H]21	ZINC001272093393	814973272	/nfs/dbraw/zinc/97/32/72/814973272.db2.gz	GWCCKZAFRRTQNA-ZFWWWQNUSA-N	-1	0	289.355	0.578	20	30		CCEDRM
C=CCOCCNS(=O)(=O)[C@@H]1CCC[C@@H]1C(=O)[O-]	ZINC001465107977	804095335	/nfs/dbraw/zinc/09/53/35/804095335.db2.gz	WFCLUSTZJIOJHN-VHSXEESVSA-N	-1	0	277.342	0.362	20	30		CCEDRM
C=CCC[C@@H](NC(=O)NC[C@]1(OC)CCOC1)C(=O)[O-]	ZINC000316578837	804710460	/nfs/dbraw/zinc/71/04/60/804710460.db2.gz	HHELZNKTRYXRHQ-ZWNOBZJWSA-N	-1	0	286.328	0.511	20	30		CCEDRM
C=CCCC(=O)NCC1CCN(Cc2n[nH]c(=O)[n-]2)CC1	ZINC001222609921	804920276	/nfs/dbraw/zinc/92/02/76/804920276.db2.gz	UDLZFCBZOVQXGR-UHFFFAOYSA-N	-1	0	293.371	0.805	20	30		CCEDRM
COc1cc(C#N)ccc1OC(=O)[C@H](O)CC(=O)[O-]	ZINC001225194048	805113750	/nfs/dbraw/zinc/11/37/50/805113750.db2.gz	UDUBOYYGUXGVQR-MRVPVSSYSA-N	-1	0	265.221	0.308	20	30		CCEDRM
O=C([O-])C[C@@H](O)C(=O)Oc1cccc(/C=N/O)c1	ZINC001226115092	805193717	/nfs/dbraw/zinc/19/37/17/805193717.db2.gz	WOCFWFXMTFSASL-TZZQWBKVSA-N	-1	0	253.210	0.236	20	30		CCEDRM
C=C[C@H](Oc1ccc(O)cc1S(=O)(=O)[O-])C(=O)OC	ZINC001226413922	805228114	/nfs/dbraw/zinc/22/81/14/805228114.db2.gz	WLYMKHYROCFSMI-QMMMGPOBSA-N	-1	0	288.277	0.745	20	30		CCEDRM
CC[C@H](C#CC(=O)OC)Oc1nc2ncnc-2c(S)[n-]1	ZINC001226786402	805281786	/nfs/dbraw/zinc/28/17/86/805281786.db2.gz	QLMWRDQEMNPLKN-SSDOTTSWSA-N	-1	0	292.320	0.975	20	30		CCEDRM
C#CC[C@H](CC)Oc1[n-]c(=O)nc2c(=O)[n-]c(=O)[nH]c21	ZINC001226886147	805290931	/nfs/dbraw/zinc/29/09/31/805290931.db2.gz	LENBWQYLVNEEJY-LURJTMIESA-N	-1	0	276.252	0.717	20	30		CCEDRM
COc1nc(O[C@@H]2C[C@@H]3[C@H]4O[C@H]4[C@H](C2)N3C)cc(=O)[n-]1	ZINC001227001136	805307947	/nfs/dbraw/zinc/30/79/47/805307947.db2.gz	YIGNDCHBRSRWFH-NTBMCGCHSA-N	-1	0	279.296	0.182	20	30		CCEDRM
C#CC(C#C)Oc1[n-]c(=O)nnc1Br	ZINC001227066173	805316751	/nfs/dbraw/zinc/31/67/51/805316751.db2.gz	GBBDCNLDDMVGDG-UHFFFAOYSA-N	-1	0	254.043	0.354	20	30		CCEDRM
N#Cc1ccc(O)cc1OC(=O)[C@H](O)CC(=O)[O-]	ZINC001228005956	805406431	/nfs/dbraw/zinc/40/64/31/805406431.db2.gz	UPNMAVLRXSXZJA-MRVPVSSYSA-N	-1	0	251.194	0.005	20	30		CCEDRM
N#Cc1c(F)cc(OC(=O)[C@H](O)CCC(=O)[O-])cc1F	ZINC001228221465	805423243	/nfs/dbraw/zinc/42/32/43/805423243.db2.gz	SAUGSSOFEGHLLQ-SNVBAGLBSA-N	-1	0	285.202	0.968	20	30		CCEDRM
N#Cc1cc(F)cc(OC(=O)[C@@H](O)CC(=O)[O-])c1	ZINC001229034488	805498841	/nfs/dbraw/zinc/49/88/41/805498841.db2.gz	FRSCLZIXTLQDKR-VIFPVBQESA-N	-1	0	253.185	0.438	20	30		CCEDRM
N#Cc1cccnc1N1CCC(Oc2ncnc(=O)[n-]2)CC1	ZINC001229610529	805545760	/nfs/dbraw/zinc/54/57/60/805545760.db2.gz	QXCGJTFYNHXGAA-UHFFFAOYSA-N	-1	0	298.306	0.892	20	30		CCEDRM
COC(=O)CS(=O)(=O)[N-]c1cccc(C#N)c1F	ZINC001259024411	808722375	/nfs/dbraw/zinc/72/23/75/808722375.db2.gz	PEUFNSIZFFHLBY-UHFFFAOYSA-N	-1	0	272.257	0.612	20	30		CCEDRM
C=CCS(=O)(=O)[N-]c1nc(Cl)cnc1C(=O)OC	ZINC001259923409	808805255	/nfs/dbraw/zinc/80/52/55/808805255.db2.gz	IQUWWYYUXKIRON-UHFFFAOYSA-N	-1	0	291.716	0.844	20	30		CCEDRM
C=CCS(=O)(=O)[N-]c1csc(N2CCOCC2)n1	ZINC001259923098	808805374	/nfs/dbraw/zinc/80/53/74/808805374.db2.gz	RRQCKSSDKVGDSB-UHFFFAOYSA-N	-1	0	289.382	0.907	20	30		CCEDRM
Cc1coc([N-]S(=O)(=O)c2ccn(C)n2)c1C#N	ZINC001259938605	808813300	/nfs/dbraw/zinc/81/33/00/808813300.db2.gz	VQEORPDZIOOVAI-UHFFFAOYSA-N	-1	0	266.282	0.994	20	30		CCEDRM
COc1ncnc([N-]S(=O)(=O)C(F)F)c1C#N	ZINC001259950856	808819585	/nfs/dbraw/zinc/81/95/85/808819585.db2.gz	ILMFMTSIUBNVBG-UHFFFAOYSA-N	-1	0	264.213	0.321	20	30		CCEDRM
Cn1ccc(S(=O)(=O)[N-]c2cc(C#N)c(F)cc2O)n1	ZINC001259944272	808816424	/nfs/dbraw/zinc/81/64/24/808816424.db2.gz	MYPFCFQMARAVHJ-UHFFFAOYSA-N	-1	0	296.283	0.937	20	30		CCEDRM
N#CCC1CN(S(=O)(=O)c2ccc(O)c(C(=O)[O-])c2)C1	ZINC001260392884	808859792	/nfs/dbraw/zinc/85/97/92/808859792.db2.gz	FACVEROFNDDHMJ-UHFFFAOYSA-N	-1	0	296.304	0.625	20	30		CCEDRM
N#CC1(NS(=O)(=O)c2ccc(O)c(C(=O)[O-])c2)CC1	ZINC001260401187	808860379	/nfs/dbraw/zinc/86/03/79/808860379.db2.gz	ZUMODIARZICAMH-UHFFFAOYSA-N	-1	0	282.277	0.425	20	30		CCEDRM
Cc1cnc(C#N)c([N-]S(=O)(=O)c2cn[nH]c2)c1	ZINC001260954186	808887668	/nfs/dbraw/zinc/88/76/68/808887668.db2.gz	FLOSAJUFBDVVTC-UHFFFAOYSA-N	-1	0	263.282	0.786	20	30		CCEDRM
CSCCO[N-]C(=O)C(=O)NCC1CCC(C#N)CC1	ZINC001261228900	808934404	/nfs/dbraw/zinc/93/44/04/808934404.db2.gz	QJFYUJGSWNNMKL-UHFFFAOYSA-N	-1	0	299.396	0.843	20	30		CCEDRM
C#CC[C@@H](NC(=O)[C@@H]1CCN(CC(F)(F)F)C1)C(=O)[O-]	ZINC001262178035	809224165	/nfs/dbraw/zinc/22/41/65/809224165.db2.gz	OHEPDAWQORRZEJ-RKDXNWHRSA-N	-1	0	292.257	0.463	20	30		CCEDRM
C#Cc1cncc(C(=O)N2CC([C@H](F)C(=O)[O-])C2)c1	ZINC001262178048	809224213	/nfs/dbraw/zinc/22/42/13/809224213.db2.gz	OTJWNMRIHONHMO-NSHDSACASA-N	-1	0	262.240	0.558	20	30		CCEDRM
C=C[C@H](O)C(=O)N[C@H]1CCOC2(CC(C(=O)[O-])C2)C1	ZINC001262179441	809225179	/nfs/dbraw/zinc/22/51/79/809225179.db2.gz	PAXQBTZFVBCACQ-XWDDTNKTSA-N	-1	0	269.297	0.062	20	30		CCEDRM
CC(C)(C#N)C(=O)N1CCC[C@H](Cc2nnn[n-]2)C1	ZINC001263911135	809605353	/nfs/dbraw/zinc/60/53/53/809605353.db2.gz	BJZQOKNHZKTLJF-SECBINFHSA-N	-1	0	262.317	0.531	20	30		CCEDRM
C#CCCCC(=O)NC[C@@H]1CCCN1Cc1n[nH]c(=O)[n-]1	ZINC001267267650	811068421	/nfs/dbraw/zinc/06/84/21/811068421.db2.gz	SMNASBDNVGOLLX-NSHDSACASA-N	-1	0	291.355	0.394	20	30		CCEDRM
C#CCSCCNC(=O)N1CC2CC1(C(=O)[O-])C2	ZINC000694812888	811514638	/nfs/dbraw/zinc/51/46/38/811514638.db2.gz	UORLVXXXCINDHG-UHFFFAOYSA-N	-1	0	268.338	0.611	20	30		CCEDRM
CC#CCCCC(=O)N(CC)CC[NH2+]Cc1n[nH]c(=O)[n-]1	ZINC001268472623	812627089	/nfs/dbraw/zinc/62/70/89/812627089.db2.gz	YENJUPCBLYWHAQ-UHFFFAOYSA-N	-1	0	293.371	0.642	20	30		CCEDRM
C=CCS(=O)(=O)[N-]c1ccccc1C(=O)NC	ZINC000711175479	813352242	/nfs/dbraw/zinc/35/22/42/813352242.db2.gz	RIAOVFKYYPUSJB-UHFFFAOYSA-N	-1	0	254.311	0.974	20	30		CCEDRM
C#C[C@@H](C)Oc1nc(=O)[n-]c(C(=O)OCC)c1[N+](=O)[O-]	ZINC001226018783	813768669	/nfs/dbraw/zinc/76/86/69/813768669.db2.gz	RUOZIOILNLNXKN-ZCFIWIBFSA-N	-1	0	281.224	0.668	20	30		CCEDRM
N#Cc1cc(C#N)cc(OC(=O)[C@@H](O)CC(=O)[O-])c1	ZINC001226896125	814203772	/nfs/dbraw/zinc/20/37/72/814203772.db2.gz	IXDDZIVASWLRPT-JTQLQIEISA-N	-1	0	260.205	0.171	20	30		CCEDRM
C=C(C)C(=O)OC[C@H](C)Oc1[nH]c(=O)[n-]c(=O)c1F	ZINC001229119359	814918796	/nfs/dbraw/zinc/91/87/96/814918796.db2.gz	JNRVOHIQKCEWJL-LURJTMIESA-N	-1	0	272.232	0.914	20	30		CCEDRM
C#CCOc1ccc(C(=O)NCc2nc([O-])cc(=O)[nH]2)cc1	ZINC001168430051	816281105	/nfs/dbraw/zinc/28/11/05/816281105.db2.gz	JKQUCPRHNIPIHG-UHFFFAOYSA-N	-1	0	299.286	0.830	20	30		CCEDRM
COCCNC(=O)C(C#N)=C([O-])c1cc(C#N)cs1	ZINC000176459812	816562966	/nfs/dbraw/zinc/56/29/66/816562966.db2.gz	UCDWVTURAOGOOH-VIFPVBQESA-N	-1	0	277.305	0.705	20	30		CCEDRM
CCOCCS(=O)(=O)[N-]C(=O)c1cc(C#N)cs1	ZINC000176483479	816607425	/nfs/dbraw/zinc/60/74/25/816607425.db2.gz	NODIYJSJPOPRLB-UHFFFAOYSA-N	-1	0	288.350	0.716	20	30		CCEDRM
C=CCCCC(=O)[N-]S(=O)(=O)c1cnn(C)c1	ZINC000176521151	816635302	/nfs/dbraw/zinc/63/53/02/816635302.db2.gz	LYDJUXVPUDSJDV-UHFFFAOYSA-N	-1	0	257.315	0.581	20	30		CCEDRM
C=CCC[C@H](NC(=O)N[C@@H]1COC[C@@H]1C)C(=O)[O-]	ZINC000699543267	816773202	/nfs/dbraw/zinc/77/32/02/816773202.db2.gz	ZSRQMUPOOLBJLA-LPEHRKFASA-N	-1	0	256.302	0.740	20	30		CCEDRM
C=CCCCC(=O)[N-]S(=O)(=O)C[C@H]1CCCO1	ZINC000180204168	817324394	/nfs/dbraw/zinc/32/43/94/817324394.db2.gz	CIVBFYXGANJPSO-SNVBAGLBSA-N	-1	0	261.343	0.968	20	30		CCEDRM
Cc1[n-][nH]c(=NC(=O)c2csc3cncn32)c1C#N	ZINC000357249061	818082892	/nfs/dbraw/zinc/08/28/92/818082892.db2.gz	WRMUIJOINYZGEL-UHFFFAOYSA-N	-1	0	272.293	0.973	20	30		CCEDRM
C#CCO[N-]C(=O)COc1ccc([N+](=O)[O-])cc1	ZINC000700567038	818798898	/nfs/dbraw/zinc/79/88/98/818798898.db2.gz	DCMODUHBCOPQBS-UHFFFAOYSA-N	-1	0	250.210	0.655	20	30		CCEDRM
C#CCO[N-]C(=O)[C@H]1CS[C@@]2(C)CCC(=O)N12	ZINC000700567683	818802754	/nfs/dbraw/zinc/80/27/54/818802754.db2.gz	SKBHQLISCNLLPQ-KCJUWKMLSA-N	-1	0	254.311	0.121	20	30		CCEDRM
C=CCC[C@@H](NC(=O)Cc1ccn(C)n1)C(=O)[O-]	ZINC000710104022	819822092	/nfs/dbraw/zinc/82/20/92/819822092.db2.gz	UEPHPVNYBGWWEK-SNVBAGLBSA-N	-1	0	251.286	0.498	20	30		CCEDRM
CC#CCS(=O)(=O)[N-]C(=O)[C@H]1CCOC2(CCC2)C1	ZINC001119429854	821305475	/nfs/dbraw/zinc/30/54/75/821305475.db2.gz	IZRYSOCTWMYEKA-NSHDSACASA-N	-1	0	285.365	0.805	20	30		CCEDRM
C#CCN1CC[C@@]2(CCC[N@H+]2Cc2ncccc2O)C1=O	ZINC001273325734	821679498	/nfs/dbraw/zinc/67/94/98/821679498.db2.gz	QPGRBLHTJMOKHP-INIZCTEOSA-N	-1	0	285.347	0.987	20	30		CCEDRM
C#C[C@@H](C)NC(=O)COc1ccc(OCC(=O)[O-])cc1	ZINC001183912023	844119135	/nfs/dbraw/zinc/11/91/35/844119135.db2.gz	RIUJCVPODMGBDP-SNVBAGLBSA-N	-1	0	277.276	0.667	20	30		CCEDRM
CN1CCOC[C@@H]1CNC(=O)CCC(=O)C1=CC=C[CH]1	ZINC001184245848	844187786	/nfs/dbraw/zinc/18/77/86/844187786.db2.gz	DJEDOQALURNWLR-ZDUSSCGKSA-N	-1	0	277.344	0.483	20	30		CCEDRM
CC1(C)C(=O)NC[C@H]1NC(=O)CCC(=O)C1=CC=C[CH]1	ZINC001184247524	844188432	/nfs/dbraw/zinc/18/84/32/844188432.db2.gz	SGTBFQVZYPKYDL-GFCCVEGCSA-N	-1	0	275.328	0.677	20	30		CCEDRM
Cc1cc(N(C(=N)N)C(=O)CCC(=O)C2=CC=C[CH]2)n[nH]1	ZINC001184247718	844189342	/nfs/dbraw/zinc/18/93/42/844189342.db2.gz	XBTIBHUEDVMMJP-UHFFFAOYSA-N	-1	0	286.315	0.994	20	30		CCEDRM
CN(C(=O)[C@@H](CC#N)c1ccccc1)c1nnn[n-]1	ZINC001131169108	838012505	/nfs/dbraw/zinc/01/25/05/838012505.db2.gz	AKDPVUANAFBQDY-JTQLQIEISA-N	-1	0	256.269	0.860	20	30		CCEDRM
CSc1ncc([O-])c(C(=O)Nc2nnccc2C#N)n1	ZINC001185165726	844351062	/nfs/dbraw/zinc/35/10/62/844351062.db2.gz	BHKLSPNRNKTSMY-UHFFFAOYSA-N	-1	0	288.292	0.818	20	30		CCEDRM
Cc1nc(C#N)cc(NCCCc2n[nH]c(=O)[n-]2)n1	ZINC001185498195	844426423	/nfs/dbraw/zinc/42/64/23/844426423.db2.gz	QNIGHDFAPUGKNK-UHFFFAOYSA-N	-1	0	259.273	0.525	20	30		CCEDRM
N#C[C@H](NC(=O)c1nc[n-]c(=O)c1Br)C1CC1	ZINC001136696946	839716781	/nfs/dbraw/zinc/71/67/81/839716781.db2.gz	BKFAWZONZBLYHL-LURJTMIESA-N	-1	0	297.112	0.977	20	30		CCEDRM
N#CCCCCNC(=O)c1cccc(-n2[n-]nnc2=N)c1	ZINC001136709005	839729834	/nfs/dbraw/zinc/72/98/34/839729834.db2.gz	VKHZCYRFUQTRGV-UHFFFAOYSA-N	-1	0	285.311	0.499	20	30		CCEDRM
N#Cc1c2ccccc2[nH]c1C(=O)Nc1nnn[n-]1	ZINC001136946471	839817543	/nfs/dbraw/zinc/81/75/43/839817543.db2.gz	BJHMYHQIRKKRLQ-UHFFFAOYSA-N	-1	0	253.225	0.805	20	30		CCEDRM
Cn1c(=O)[n-]c(NCC(C)(C)CC#N)c(C#N)c1=O	ZINC001186669140	844583182	/nfs/dbraw/zinc/58/31/82/844583182.db2.gz	BPRYGKQFAVNFGN-UHFFFAOYSA-N	-1	0	261.285	0.297	20	30		CCEDRM
Cn1ncc(C#N)c1[N-]S(=O)(=O)c1ccco1	ZINC001186806530	844598778	/nfs/dbraw/zinc/59/87/78/844598778.db2.gz	WKMCSOTZAQZZHQ-UHFFFAOYSA-N	-1	0	252.255	0.686	20	30		CCEDRM
N#C[C@H]1C[C@H]1C(=O)Nc1ccc2c(c1)S(=O)(=O)[N-]C2=O	ZINC001186976876	844630110	/nfs/dbraw/zinc/63/01/10/844630110.db2.gz	GTPUJFYHMDBIFY-HZGVNTEJSA-N	-1	0	291.288	0.217	20	30		CCEDRM
Cc1cc(NC[C@@H]2CCO[C@@H]2C(=O)[O-])c(C#N)cn1	ZINC000716263602	841643040	/nfs/dbraw/zinc/64/30/40/841643040.db2.gz	URBJEACRYUWKHU-CABZTGNLSA-N	-1	0	261.281	0.585	20	30		CCEDRM
N#Cc1cc2cccnc2nc1NC(=O)Cc1nnn[n-]1	ZINC001176837775	842423094	/nfs/dbraw/zinc/42/30/94/842423094.db2.gz	GQCGZSYMGCZTRV-UHFFFAOYSA-N	-1	0	280.251	0.196	20	30		CCEDRM
N#Cc1c[nH]c2cc(NC(=O)Cn3nn[n-]c3=S)ccc12	ZINC001177740737	842664764	/nfs/dbraw/zinc/66/47/64/842664764.db2.gz	BARSXQQFRZYNBF-UHFFFAOYSA-N	-1	0	299.319	0.953	20	30		CCEDRM
C=CC[C@@H](NC(=O)[C@@H]1CC(=O)N(C2CC2)C1)C(=O)[O-]	ZINC000150145636	842996308	/nfs/dbraw/zinc/99/63/08/842996308.db2.gz	RRHZCVKQLVKJQV-PSASIEDQSA-N	-1	0	266.297	0.143	20	30		CCEDRM
C[C@@H](C#N)C(=O)Nc1nc(N(C)C)[n-]c(=O)c1N=O	ZINC001179889415	843067085	/nfs/dbraw/zinc/06/70/85/843067085.db2.gz	XVHWZYFZIRFBFP-YFKPBYRVSA-N	-1	0	264.245	0.744	20	30		CCEDRM
N#CC1(CC(=O)N[C@@H]2CO[N-]C2=O)CCCCC1	ZINC001181366240	843466946	/nfs/dbraw/zinc/46/69/46/843466946.db2.gz	NOOWCDBAGFLGBV-SECBINFHSA-N	-1	0	251.286	0.397	20	30		CCEDRM
C[C@H](C(=O)N[C@@H]1CO[N-]C1=O)c1ccc(C#N)cc1	ZINC001182801127	843916471	/nfs/dbraw/zinc/91/64/71/843916471.db2.gz	XNOPBTUMJRYYBY-GZMMTYOYSA-N	-1	0	259.265	0.208	20	30		CCEDRM
CS(=O)(=O)N1CC(C(=O)Nc2ccc(O)c(C#N)c2)C1	ZINC001183024071	843957714	/nfs/dbraw/zinc/95/77/14/843957714.db2.gz	KKTSHFFXYZYJLQ-UHFFFAOYSA-N	-1	0	295.320	0.094	20	30		CCEDRM
C#Cc1cnc([N-]S(=O)(=O)CCOCC)c(C#C)n1	ZINC001187250569	844688130	/nfs/dbraw/zinc/68/81/30/844688130.db2.gz	PLTFDXSAHYSOBD-UHFFFAOYSA-N	-1	0	279.321	0.217	20	30		CCEDRM
Cc1nc(C#N)c([N-]S(=O)(=O)c2cnoc2C)o1	ZINC001187333959	844698194	/nfs/dbraw/zinc/69/81/94/844698194.db2.gz	LVWWIKMSDJBFBB-UHFFFAOYSA-N	-1	0	268.254	0.952	20	30		CCEDRM
CO[N-]C(=O)CNc1cc(F)c(C#N)cc1[N+](=O)[O-]	ZINC001187774436	844756791	/nfs/dbraw/zinc/75/67/91/844756791.db2.gz	TVIZJTDAKRNTOP-UHFFFAOYSA-N	-1	0	268.204	0.695	20	30		CCEDRM
C#Cc1cc([N-]S(=O)(=O)c2nccs2)ccn1	ZINC001187858295	844784312	/nfs/dbraw/zinc/78/43/12/844784312.db2.gz	NPBYPAXSLMJIEO-UHFFFAOYSA-N	-1	0	265.319	0.742	20	30		CCEDRM
Cc1cccc([O-])c1C(=O)n1nc(N)c(C#N)c1N	ZINC001188637947	844944204	/nfs/dbraw/zinc/94/42/04/844944204.db2.gz	BAVPUTZWTVLBED-UHFFFAOYSA-N	-1	0	257.253	0.622	20	30		CCEDRM
C=CCCC(=O)N1CC[C@H](N(C)Cc2n[nH]c(=O)[n-]2)C1	ZINC001189280449	845092580	/nfs/dbraw/zinc/09/25/80/845092580.db2.gz	SFOMHJAEDGZXBZ-JTQLQIEISA-N	-1	0	279.344	0.509	20	30		CCEDRM
C=C(Br)Cn1c(=O)[n-]cc(C#N)c1=O	ZINC001189575643	845174477	/nfs/dbraw/zinc/17/44/77/845174477.db2.gz	ZCKODDXVGFOZEE-UHFFFAOYSA-N	-1	0	256.059	0.317	20	30		CCEDRM
COC(=O)[C@H](C)NC(=O)Nc1cc(C#N)ccc1[O-]	ZINC001190547411	845424776	/nfs/dbraw/zinc/42/47/76/845424776.db2.gz	MMPTZSODYRGEFL-ZETCQYMHSA-N	-1	0	263.253	0.947	20	30		CCEDRM
Cc1nonc1C[N-]S(=O)(=O)c1cc(C#N)ccc1F	ZINC001190660900	845446609	/nfs/dbraw/zinc/44/66/09/845446609.db2.gz	HPFOQHWDOHBFRZ-UHFFFAOYSA-N	-1	0	296.283	0.867	20	30		CCEDRM
Cn1cnc(C#N)c1[N-]S(=O)(=O)c1ccncc1	ZINC001190861041	845527483	/nfs/dbraw/zinc/52/74/83/845527483.db2.gz	YYOIXNXNHKSEFQ-UHFFFAOYSA-N	-1	0	263.282	0.488	20	30		CCEDRM
N#C[C@@H]1CNCCN1C(=O)c1cc(F)c([O-])cc1F	ZINC001192860465	845923669	/nfs/dbraw/zinc/92/36/69/845923669.db2.gz	UOMXWRTUBLMJAP-SSDOTTSWSA-N	-1	0	267.235	0.608	20	30		CCEDRM
N#CCS(=O)(=O)[N-]c1cnc2c(C3CC3)cnn2c1	ZINC001192942775	845930169	/nfs/dbraw/zinc/93/01/69/845930169.db2.gz	BCLIJHVOQIFUOK-UHFFFAOYSA-N	-1	0	277.309	0.872	20	30		CCEDRM
N#CCS(=O)(=O)[N-]c1cccnc1OC1COC1	ZINC001192939507	845943363	/nfs/dbraw/zinc/94/33/63/845943363.db2.gz	RUEXAHSGUBXMCI-UHFFFAOYSA-N	-1	0	269.282	0.124	20	30		CCEDRM
N#CCS(=O)(=O)[N-]c1cn2nc(Cl)ccc2n1	ZINC001192939808	845943452	/nfs/dbraw/zinc/94/34/52/845943452.db2.gz	ZHJFPUSRYIJFLD-UHFFFAOYSA-N	-1	0	271.689	0.648	20	30		CCEDRM
CCOC(=O)/C=C(\[N-]S(=O)(=O)CC#N)C(F)(F)F	ZINC001192988800	845947035	/nfs/dbraw/zinc/94/70/35/845947035.db2.gz	XKWGVZQHACVJIQ-WAYWQWQTSA-N	-1	0	286.231	0.439	20	30		CCEDRM
CCOC(=O)[C@@H]([N-]S(=O)(=O)CC#N)c1ccccn1	ZINC001192995992	845949952	/nfs/dbraw/zinc/94/99/52/845949952.db2.gz	OCSXJEXNGKSJNU-JTQLQIEISA-N	-1	0	283.309	0.129	20	30		CCEDRM
Cn1cnc2cc([N-]S(=O)(=O)CC#N)ccc21	ZINC001192978876	845961099	/nfs/dbraw/zinc/96/10/99/845961099.db2.gz	KTMQQIKTUQXHTR-UHFFFAOYSA-N	-1	0	250.283	0.839	20	30		CCEDRM
CCOC(=O)c1ccncc1[N-]S(=O)(=O)[C@@H](C)C#N	ZINC001193104024	845978241	/nfs/dbraw/zinc/97/82/41/845978241.db2.gz	CWKPDUUQCHECGS-QMMMGPOBSA-N	-1	0	283.309	0.912	20	30		CCEDRM
CCOC(=O)c1nccnc1[N-]S(=O)(=O)[C@@H](C)C#N	ZINC001193111948	845980826	/nfs/dbraw/zinc/98/08/26/845980826.db2.gz	NITAUCUVNLGWPJ-ZETCQYMHSA-N	-1	0	284.297	0.307	20	30		CCEDRM
C[C@H](O)c1ccnc([N-]S(=O)(=O)[C@@H](C)C#N)c1	ZINC001193112402	845980951	/nfs/dbraw/zinc/98/09/51/845980951.db2.gz	SRUDHGMYTGRRGH-YUMQZZPRSA-N	-1	0	255.299	0.789	20	30		CCEDRM
COC(=O)c1nc(OC)ccc1[N-]S(=O)(=O)[C@@H](C)C#N	ZINC001193113042	845982536	/nfs/dbraw/zinc/98/25/36/845982536.db2.gz	YAZBUXLVWVODIQ-ZETCQYMHSA-N	-1	0	299.308	0.531	20	30		CCEDRM
C[C@@H](C#N)S(=O)(=O)[N-]c1ccc2c(c1)CNC2=O	ZINC001193147286	846004768	/nfs/dbraw/zinc/00/47/68/846004768.db2.gz	ZRMYBMGKLVEYDV-ZETCQYMHSA-N	-1	0	265.294	0.584	20	30		CCEDRM
Cc1ccc(C(N)=O)c([N-]S(=O)(=O)[C@H](C)C#N)c1	ZINC001193152010	846006695	/nfs/dbraw/zinc/00/66/95/846006695.db2.gz	YSSDBLOBAIVMOJ-MRVPVSSYSA-N	-1	0	267.310	0.748	20	30		CCEDRM
C[C@H](C#N)S(=O)(=O)[N-]c1cc(C(N)=O)ccc1F	ZINC001193151465	846006747	/nfs/dbraw/zinc/00/67/47/846006747.db2.gz	QRWSZEOBZIMXSK-ZCFIWIBFSA-N	-1	0	271.273	0.578	20	30		CCEDRM
N#CNC(=NC(=O)c1cc(=O)[nH][n-]1)c1ccncc1	ZINC001193472996	846085897	/nfs/dbraw/zinc/08/58/97/846085897.db2.gz	KCBMBHFGCHOBNV-UHFFFAOYSA-N	-1	0	256.225	0.168	20	30		CCEDRM
CN1C[C@@H](NC(=O)c2ccc([O-])c(C#N)c2)CCC1=O	ZINC001193511626	846101406	/nfs/dbraw/zinc/10/14/06/846101406.db2.gz	DRPGUMWHGRBIPF-NSHDSACASA-N	-1	0	273.292	0.614	20	30		CCEDRM
CN1C[C@@H]2CN(C(=O)c3cccc(C#N)c3[O-])C[C@@H]2C1=O	ZINC001193644527	846134828	/nfs/dbraw/zinc/13/48/28/846134828.db2.gz	ZHTKHTIUQZZWCM-PWSUYJOCSA-N	-1	0	285.303	0.424	20	30		CCEDRM
N#Cc1cccc(C(=O)N2CCOC[C@H]2C#N)c1[O-]	ZINC001193646383	846138952	/nfs/dbraw/zinc/13/89/52/846138952.db2.gz	IPLMCCPPQURUGX-SNVBAGLBSA-N	-1	0	257.249	0.628	20	30		CCEDRM
CCOC(=O)[C@H](C#N)NC(=O)c1ccc(F)c([O-])c1F	ZINC001193792839	846152508	/nfs/dbraw/zinc/15/25/08/846152508.db2.gz	FYLANQHSOZLNQT-QMMMGPOBSA-N	-1	0	284.218	0.855	20	30		CCEDRM
Cc1nc(C#N)cnc1[N-]S(=O)(=O)C1CCC(=O)CC1	ZINC001194759596	846389434	/nfs/dbraw/zinc/38/94/34/846389434.db2.gz	PUTJMCTZGABZAU-UHFFFAOYSA-N	-1	0	294.336	0.910	20	30		CCEDRM
C#CC[C@H](NC(=O)C[C@@H]1CC(C)(C)CO1)C(=O)[O-]	ZINC000716948407	846443309	/nfs/dbraw/zinc/44/33/09/846443309.db2.gz	SFWKCACIALLAPU-ZJUUUORDSA-N	-1	0	253.298	0.784	20	30		CCEDRM
CN(CC#N)S(=O)(=O)c1cc(C(=O)[O-])c(F)cc1F	ZINC001195217554	846480824	/nfs/dbraw/zinc/48/08/24/846480824.db2.gz	HZCXQLZQUZTZIB-UHFFFAOYSA-N	-1	0	290.247	0.807	20	30		CCEDRM
C#Cc1nccnc1[N-]S(=O)(=O)c1ccc(OC)nc1	ZINC001195685282	846598621	/nfs/dbraw/zinc/59/86/21/846598621.db2.gz	ZVHNNQGPCTYZHT-UHFFFAOYSA-N	-1	0	290.304	0.662	20	30		CCEDRM
N#Cc1ccc(C(=O)Nc2[nH]c(=O)nc3nc[nH]c32)c([O-])c1	ZINC001195765203	846613790	/nfs/dbraw/zinc/61/37/90/846613790.db2.gz	XCNWGGLSBPXDHD-UHFFFAOYSA-N	-1	0	296.246	0.888	20	30		CCEDRM
N#Cc1ccc(C(=O)N2CC[C@H](CO)[C@@H](O)C2)c([O-])c1	ZINC001195740463	846618804	/nfs/dbraw/zinc/61/88/04/846618804.db2.gz	GCWIEPKCLLTEHQ-MFKMUULPSA-N	-1	0	276.292	0.079	20	30		CCEDRM
N#Cc1ccc(C(=O)N2CC[C@@H](O)[C@H](CO)C2)c([O-])c1	ZINC001195740833	846619862	/nfs/dbraw/zinc/61/98/62/846619862.db2.gz	LUERJOLIEKUJPJ-CMPLNLGQSA-N	-1	0	276.292	0.079	20	30		CCEDRM
CCOC(=O)CS(=O)(=O)[N-]c1ccc(C#N)c(OC)c1	ZINC001195974808	846656310	/nfs/dbraw/zinc/65/63/10/846656310.db2.gz	KZPVQWXQDSRZEJ-UHFFFAOYSA-N	-1	0	298.320	0.872	20	30		CCEDRM
N#Cc1cccc(-c2cc(C(=O)N[C@@H]3CO[N-]C3=O)no2)c1	ZINC001196769990	846804288	/nfs/dbraw/zinc/80/42/88/846804288.db2.gz	CEIMVHNYDNJXMJ-LLVKDONJSA-N	-1	0	298.258	0.373	20	30		CCEDRM
Cc1ncc(S(=O)(=O)[N-]c2ncc(C#N)nc2C)n1C	ZINC001198355623	847102046	/nfs/dbraw/zinc/10/20/46/847102046.db2.gz	DTXPCZOSCYGFMQ-UHFFFAOYSA-N	-1	0	292.324	0.499	20	30		CCEDRM
Cc1ncc(S(=O)(=O)[N-]c2ncn(C)c2C#N)n1C	ZINC001198360739	847104518	/nfs/dbraw/zinc/10/45/18/847104518.db2.gz	DNGKMYYGKAKGLQ-UHFFFAOYSA-N	-1	0	280.313	0.135	20	30		CCEDRM
Nc1nonc1C(=Nc1cc(F)c(C(=O)[O-])c(F)c1)NO	ZINC001203316198	847114900	/nfs/dbraw/zinc/11/49/00/847114900.db2.gz	KBQKFFYCMMDCBD-UHFFFAOYSA-N	-1	0	299.193	0.685	20	30		CCEDRM
CC(C)CN(CCC#N)S(=O)(=O)c1ncc[n-]1	ZINC000379896368	848046465	/nfs/dbraw/zinc/04/64/65/848046465.db2.gz	HHNHKOPYXOMHKU-UHFFFAOYSA-N	-1	0	256.331	0.970	20	30		CCEDRM
NC(=O)[C@H]1CC12CN(C(=O)CCC(=O)C1=CC=C[CH]1)C2	ZINC001274662471	848534783	/nfs/dbraw/zinc/53/47/83/848534783.db2.gz	YYQCHXGWJJRAPN-LLVKDONJSA-N	-1	0	273.312	0.370	20	30		CCEDRM
C#CCC[C@H](O)CNS(=O)(=O)c1cnc(C)s1	ZINC000717961088	849214181	/nfs/dbraw/zinc/21/41/81/849214181.db2.gz	VEWWPGFMDKCRSQ-VIFPVBQESA-N	-1	0	274.367	0.504	20	30		CCEDRM
Cc1[nH]nc(C(=O)N2CC[C@]3(CCN(CC#N)C3)C2)c1[O-]	ZINC001041208943	850403100	/nfs/dbraw/zinc/40/31/00/850403100.db2.gz	YCTHWQNQYRBPGQ-AWEZNQCLSA-N	-1	0	289.339	0.485	20	30		CCEDRM
C=C1CC(C)(C(=O)N(C)C2CN(Cc3n[nH]c(=O)[n-]3)C2)C1	ZINC001043814829	850940013	/nfs/dbraw/zinc/94/00/13/850940013.db2.gz	RTPHNAJFMJNNLE-UHFFFAOYSA-N	-1	0	291.355	0.509	20	30		CCEDRM
C[C@@]1(C(=O)[O-])CCN(C(=O)Cc2ccc(C#N)nc2)C1	ZINC000901576231	851756058	/nfs/dbraw/zinc/75/60/58/851756058.db2.gz	YJJURHARDZOMSR-CQSZACIVSA-N	-1	0	273.292	0.819	20	30		CCEDRM
C=CC(C)(C)C(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2n[nH]c(=O)[n-]2)C1	ZINC001054976670	853047636	/nfs/dbraw/zinc/04/76/36/853047636.db2.gz	OEJGHZJGJZADLM-NXEZZACHSA-N	-1	0	293.371	0.659	20	30		CCEDRM
C#CC[C@H](NC(=O)[C@H]1CC(=O)N(C2CCCC2)C1)C(=O)[O-]	ZINC000149571024	853986989	/nfs/dbraw/zinc/98/69/89/853986989.db2.gz	KJXSQPZGYLSFJX-JQWIXIFHSA-N	-1	0	292.335	0.370	20	30		CCEDRM
C#CC[C@H](NC(=O)[C@H](C)NC(=O)c1cccs1)C(=O)[O-]	ZINC000149596000	853988982	/nfs/dbraw/zinc/98/89/82/853988982.db2.gz	NJYUGZIVZQCEDD-IUCAKERBSA-N	-1	0	294.332	0.459	20	30		CCEDRM
C#CC[C@H](NC(=O)[C@@H]1CCCN1c1ncccn1)C(=O)[O-]	ZINC000149896295	854007555	/nfs/dbraw/zinc/00/75/55/854007555.db2.gz	IZIAXYZFPFAKIC-QWRGUYRKSA-N	-1	0	288.307	0.038	20	30		CCEDRM
CC#CCCCC(=O)[N-]S(=O)(=O)C1CCOCC1	ZINC001116611564	855797024	/nfs/dbraw/zinc/79/70/24/855797024.db2.gz	JNMXBYVIDHJGJW-UHFFFAOYSA-N	-1	0	273.354	0.805	20	30		CCEDRM
C=CC[C@@H](NC(=O)CCc1cn(C)nc1C)C(=O)[O-]	ZINC001116906504	855862936	/nfs/dbraw/zinc/86/29/36/855862936.db2.gz	LIJNUZRQWHTJSK-LLVKDONJSA-N	-1	0	265.313	0.807	20	30		CCEDRM
CSc1[n-]c(=O)c(C(=O)N[C@@H](C)CO)cc1C#N	ZINC001117746686	856068967	/nfs/dbraw/zinc/06/89/67/856068967.db2.gz	ALNWAFMFYGOVRK-LURJTMIESA-N	-1	0	267.310	0.491	20	30		CCEDRM
Cn1ccc(CC(=O)Nc2nc(C#N)c(C#N)[n-]2)n1	ZINC001118216583	856207110	/nfs/dbraw/zinc/20/71/10/856207110.db2.gz	MQWOFUQNLJMXCV-UHFFFAOYSA-N	-1	0	255.241	0.068	20	30		CCEDRM
C=C(C)CO[N-]C(=O)C(=O)Nc1cnn(CCOC)c1	ZINC001118246252	856223343	/nfs/dbraw/zinc/22/33/43/856223343.db2.gz	OYOIOJJBDLAWPN-UHFFFAOYSA-N	-1	0	282.300	0.092	20	30		CCEDRM
N#CCCCCC(=O)N1CCC[C@H](c2nnn[n-]2)C1	ZINC001118313958	856255701	/nfs/dbraw/zinc/25/57/01/856255701.db2.gz	XWYCUOUOUGCBKT-JTQLQIEISA-N	-1	0	262.317	0.990	20	30		CCEDRM
N#Cc1ccc(C(=O)[N-]S(=O)(=O)C2(Cl)CC2)cn1	ZINC001119434698	856684033	/nfs/dbraw/zinc/68/40/33/856684033.db2.gz	JCTZNXXHOBGCHQ-UHFFFAOYSA-N	-1	0	285.712	0.742	20	30		CCEDRM
N#CCn1cc(NC(=O)C(=O)[N-]OC/C=C/Cl)cn1	ZINC001323918637	912581855	/nfs/dbraw/zinc/58/18/55/912581855.db2.gz	JTWXBRNJUGMHEG-OWOJBTEDSA-N	-1	0	283.675	0.145	20	30		CCEDRM
C=CCC1(S(=O)(=O)[N-]C(=O)[C@@]2(F)CCOC2)CC1	ZINC001323923971	912586590	/nfs/dbraw/zinc/58/65/90/912586590.db2.gz	QOCNQIBCPNGTCB-LLVKDONJSA-N	-1	0	277.317	0.670	20	30		CCEDRM
CCOCCCNC(=O)C(C#N)=C([O-])c1ccn(C)n1	ZINC001346199318	891471028	/nfs/dbraw/zinc/47/10/28/891471028.db2.gz	SRJUCXWSILSIPQ-SNVBAGLBSA-N	-1	0	278.312	0.285	20	30		CCEDRM
C=C[C@H](C)O[N-]C(=O)C(=O)Nc1ncc(OC)cn1	ZINC001346208303	891473996	/nfs/dbraw/zinc/47/39/96/891473996.db2.gz	OVWDPVZYKQXTKT-ZETCQYMHSA-N	-1	0	266.257	0.046	20	30		CCEDRM
CSCC[C@H](NC(=O)[C@@H]1C[C@@H]1C#N)c1nnn[n-]1	ZINC001167449636	891618408	/nfs/dbraw/zinc/61/84/08/891618408.db2.gz	YILUATWJDNFGQE-PRJMDXOYSA-N	-1	0	266.330	0.270	20	30		CCEDRM
N#CCN1CC[C@@H]1CNC(=O)c1ccc2oc(=O)nc-2[n-]1	ZINC001038919884	892932710	/nfs/dbraw/zinc/93/27/10/892932710.db2.gz	GDJZTFPALFDCOW-MRVPVSSYSA-N	-1	0	287.279	0.256	20	30		CCEDRM
C=C[C@](C)(CC)C(=O)N[C@H]1CCN(Cc2n[nH]c(=O)[n-]2)C1	ZINC001481692764	893021103	/nfs/dbraw/zinc/02/11/03/893021103.db2.gz	QTRONJXIPPVLAM-IINYFYTJSA-N	-1	0	293.371	0.803	20	30		CCEDRM
CSc1[n-]c(=O)c(C(=O)Nn2ccnn2)cc1C#N	ZINC001363017996	893669616	/nfs/dbraw/zinc/66/96/16/893669616.db2.gz	COUOVHSDVHQXGF-UHFFFAOYSA-N	-1	0	276.281	0.356	20	30		CCEDRM
Cn1cnc(C[N-]S(=O)(=O)c2ccsc2C#N)n1	ZINC001414235861	894835276	/nfs/dbraw/zinc/83/52/76/894835276.db2.gz	UTOZXJMUBYGORP-UHFFFAOYSA-N	-1	0	283.338	0.227	20	30		CCEDRM
COC(=O)c1ccoc1S(=O)(=O)[N-][C@@H](C)CC#N	ZINC001365034718	895846939	/nfs/dbraw/zinc/84/69/39/895846939.db2.gz	YFUDNLCQVHUPHK-ZETCQYMHSA-N	-1	0	272.282	0.647	20	30		CCEDRM
C[C@@H]1CC[C@H](C)CN1c1[n-]c(=O)n(C)c(=O)c1C#N	ZINC001515539728	896071220	/nfs/dbraw/zinc/07/12/20/896071220.db2.gz	ZCGDJEATZBIQNA-DTWKUNHWSA-N	-1	0	262.313	0.570	20	30		CCEDRM
C=C[C@H](C)O[N-]C(=O)C(=O)Nc1cc(C)cn(C)c1=O	ZINC001326801130	914187083	/nfs/dbraw/zinc/18/70/83/914187083.db2.gz	TXOLBQUOAHVLSP-VIFPVBQESA-N	-1	0	279.296	0.255	20	30		CCEDRM
C[C@@H](CC#N)NC(=O)C(=O)Nc1cccnc1C(=O)[O-]	ZINC001327478912	914562233	/nfs/dbraw/zinc/56/22/33/914562233.db2.gz	JAHHQILINJHCJY-ZETCQYMHSA-N	-1	0	276.252	0.137	20	30		CCEDRM
Cc1cc(C#N)c(=O)[n-]c1C(=O)N1CCN(C)[C@@H](C)C1	ZINC001412531526	901795377	/nfs/dbraw/zinc/79/53/77/901795377.db2.gz	IFMJWRQTIFDMPA-JTQLQIEISA-N	-1	0	274.324	0.743	20	30		CCEDRM
N#Cc1cn(CCC(=O)NC/C=C\Cl)c(=O)[n-]c1=O	ZINC001412767859	902102920	/nfs/dbraw/zinc/10/29/20/902102920.db2.gz	GRWYHLUGJZGMDA-IWQZZHSRSA-N	-1	0	282.687	0.079	20	30		CCEDRM
N#Cc1c[n-]c(=O)n(Cc2coc(C3CC3)n2)c1=O	ZINC001459138811	902262985	/nfs/dbraw/zinc/26/29/85/902262985.db2.gz	YLJBGHZYEAUZFQ-UHFFFAOYSA-N	-1	0	258.237	0.322	20	30		CCEDRM
CC[C@@H](SC)C(=O)NCCn1cc(C#N)c(=O)[n-]c1=O	ZINC001413308397	902858805	/nfs/dbraw/zinc/85/88/05/902858805.db2.gz	IQUFULWCNLQIEY-SECBINFHSA-N	-1	0	296.352	0.078	20	30		CCEDRM
COCCC(C)(C)Nc1[n-]c(=O)n(C)c(=O)c1C#N	ZINC001337875326	921300954	/nfs/dbraw/zinc/30/09/54/921300954.db2.gz	LHPLITJAGZQLKP-UHFFFAOYSA-N	-1	0	266.301	0.172	20	30		CCEDRM
CSCCCC(=O)NCCn1cc(C#N)c(=O)[n-]c1=O	ZINC001301212305	907958818	/nfs/dbraw/zinc/95/88/18/907958818.db2.gz	SYISRHBVCIEGFO-UHFFFAOYSA-N	-1	0	296.352	0.080	20	30		CCEDRM
C#CC[C@H](COC)NC(=O)c1[n-]c(=O)c(C#N)cc1C	ZINC001301822656	907993440	/nfs/dbraw/zinc/99/34/40/907993440.db2.gz	JYMKZXJDJFRSAO-LLVKDONJSA-N	-1	0	273.292	0.735	20	30		CCEDRM
C#CC[C@H](CO)NC(=O)c1ccc(-c2nc(=O)o[n-]2)cc1	ZINC001306852403	908266465	/nfs/dbraw/zinc/26/64/65/908266465.db2.gz	PSVVCCQRCCIOKH-LLVKDONJSA-N	-1	0	287.275	0.144	20	30		CCEDRM
N#CC1(CNS(=O)(=O)c2ccc([O-])c([N+](=O)[O-])c2)CC1	ZINC001309449843	908464593	/nfs/dbraw/zinc/46/45/93/908464593.db2.gz	JTNIAYXUKBWCDG-UHFFFAOYSA-N	-1	0	297.292	0.882	20	30		CCEDRM
Cc1cc(NC(=O)c2c[n-]ncc2=O)n(CCC#N)n1	ZINC001417616481	921459070	/nfs/dbraw/zinc/45/90/70/921459070.db2.gz	NBAHMBQRZHOGQS-UHFFFAOYSA-N	-1	0	272.268	0.853	20	30		CCEDRM
N#CCOc1ccc(CNC(=O)CCc2nnn[n-]2)cc1	ZINC001417631362	921473933	/nfs/dbraw/zinc/47/39/33/921473933.db2.gz	BXTZRZLTDIBNND-UHFFFAOYSA-N	-1	0	286.295	0.351	20	30		CCEDRM
C=C(CCC(=O)[O-])C(=O)N(C)[C@@H](CO)COC(C)C	ZINC001588607012	983699353	/nfs/dbraw/zinc/69/93/53/983699353.db2.gz	OVFNAKKJZNLSPM-NSHDSACASA-N	-1	0	273.329	0.652	20	30		CCEDRM
C=CCNc1ncc(C(=O)NCc2nc(=O)o[n-]2)s1	ZINC001319723233	910271046	/nfs/dbraw/zinc/27/10/46/910271046.db2.gz	GJZIHOGTDXTEEQ-UHFFFAOYSA-N	-1	0	281.297	0.347	20	30		CCEDRM
N#CCCCS(=O)(=O)[N-]C(=O)c1ccccn1	ZINC001319831866	910311441	/nfs/dbraw/zinc/31/14/41/910311441.db2.gz	MVYUBWSZOBHCLE-UHFFFAOYSA-N	-1	0	253.283	0.445	20	30		CCEDRM
C=CC[C@H](NC(=O)c1ccc(OC)nn1)C(=O)[O-]	ZINC001321167577	911135437	/nfs/dbraw/zinc/13/54/37/911135437.db2.gz	ZLGYHLSDBYFNQJ-QMMMGPOBSA-N	-1	0	251.242	0.244	20	30		CCEDRM
Cc1nn(C)cc1C(=O)Nc1nc(C#N)c(C#N)[n-]1	ZINC001322808397	911969495	/nfs/dbraw/zinc/96/94/95/911969495.db2.gz	WRCBAARHSFLEEF-UHFFFAOYSA-N	-1	0	255.241	0.447	20	30		CCEDRM
Cc1nnc(NN=C2CCCn3ccnc32)[n-]c1=O	ZINC001329099260	915666541	/nfs/dbraw/zinc/66/65/41/915666541.db2.gz	HSOAZGFHKVELGI-UHFFFAOYSA-N	-1	0	259.273	0.692	20	30		CCEDRM
N#CCSCC(=O)[N-]S(=O)(=O)CC[C@@H]1CCCO1	ZINC001331980480	917778030	/nfs/dbraw/zinc/77/80/30/917778030.db2.gz	ZZIJCKVGVKUTKE-VIFPVBQESA-N	-1	0	292.382	0.258	20	30		CCEDRM
C=CC[C@H](NC(=O)NCCOC[C@@H]1CCOC1)C(=O)[O-]	ZINC001332131923	917889908	/nfs/dbraw/zinc/88/99/08/917889908.db2.gz	OZOVEWHWBWRVGM-MNOVXSKESA-N	-1	0	286.328	0.368	20	30		CCEDRM
C=CCCOCCNC(=O)C[N@H+]1CCC[C@@H](C(=O)[O-])C1	ZINC001332136385	917895001	/nfs/dbraw/zinc/89/50/01/917895001.db2.gz	OKAWECMBMPOYEO-GFCCVEGCSA-N	-1	0	284.356	0.492	20	30		CCEDRM
C[C@H](C(=O)Nc1nc(C#N)c(C#N)[n-]1)n1ccnc1	ZINC001332227310	917970380	/nfs/dbraw/zinc/97/03/80/917970380.db2.gz	LTZIPLKDIWBKKL-SSDOTTSWSA-N	-1	0	255.241	0.549	20	30		CCEDRM
N#CC1(C(=O)N2CC([C@@H](F)C(=O)[O-])C2)CC2(CC2)C1	ZINC001332352428	918076179	/nfs/dbraw/zinc/07/61/79/918076179.db2.gz	QIOLTXOGNZPTKR-SECBINFHSA-N	-1	0	266.272	0.951	20	30		CCEDRM
C=CC[C@@H](NC(=O)[C@@H]1CCCc2nn(C)cc21)C(=O)[O-]	ZINC001332613743	918313037	/nfs/dbraw/zinc/31/30/37/918313037.db2.gz	NWJCBPPRPSKIHI-BXKDBHETSA-N	-1	0	277.324	0.986	20	30		CCEDRM
C=C[C@@H](C)O[N-]C(=O)C(=O)Nc1cnc2c(c1)COCC2	ZINC001332626561	918326240	/nfs/dbraw/zinc/32/62/40/918326240.db2.gz	ADFGLHRTBVJQNF-SECBINFHSA-N	-1	0	291.307	0.715	20	30		CCEDRM
C=CC[C@H](NC(=O)N[C@@H]1C[C@@H](OCC)[C@H]1OC)C(=O)[O-]	ZINC001333317829	918796470	/nfs/dbraw/zinc/79/64/70/918796470.db2.gz	IPOYXKOQDWFNES-ZDCRXTMVSA-N	-1	0	286.328	0.507	20	30		CCEDRM
C=CCO[C@H]1CCN(C(=O)Cn2ccc(C(=O)[O-])n2)C1	ZINC001333332100	918807433	/nfs/dbraw/zinc/80/74/33/918807433.db2.gz	PIEYAZNUDXLPGT-JTQLQIEISA-N	-1	0	279.296	0.385	20	30		CCEDRM
C=CCOC[C@H](NCc1ccnc(OC)n1)C(=O)[O-]	ZINC001334025496	919325719	/nfs/dbraw/zinc/32/57/19/919325719.db2.gz	NCOGLHBNLYKRJG-JTQLQIEISA-N	-1	0	267.285	0.231	20	30		CCEDRM
C=CC[C@H](NC(=O)N[C@@H](C)[C@@H]1CN(C)CCO1)C(=O)[O-]	ZINC001334449587	919593631	/nfs/dbraw/zinc/59/36/31/919593631.db2.gz	UMHWYVLNVOHXND-DCAQKATOSA-N	-1	0	285.344	0.034	20	30		CCEDRM
Cc1cc(NC(=O)NCc2n[nH]c(=O)[n-]2)ncc1C#N	ZINC001414479103	920341780	/nfs/dbraw/zinc/34/17/80/920341780.db2.gz	BGWLOBKGCJFCGO-UHFFFAOYSA-N	-1	0	273.256	0.407	20	30		CCEDRM
C#CC[C@@H]1CCCN(c2[n-]c(=O)n(C)c(=O)c2C#N)C1	ZINC001336678779	920921522	/nfs/dbraw/zinc/92/15/22/920921522.db2.gz	JOYYPOHNHVBSGP-SNVBAGLBSA-N	-1	0	272.308	0.185	20	30		CCEDRM
Cn1c(=O)[n-]c(NC2CCC=CCC2)c(C#N)c1=O	ZINC001336710253	920944287	/nfs/dbraw/zinc/94/42/87/920944287.db2.gz	FZUXQFZSUMFZNI-UHFFFAOYSA-N	-1	0	260.297	0.856	20	30		CCEDRM
C#CC[C@H]1CCN(C(=O)N[C@H]2C[C@@H](C(=O)[O-])C2)C1	ZINC001341325340	922424977	/nfs/dbraw/zinc/42/49/77/922424977.db2.gz	JEEOGJRFKVXMEM-GARJFASQSA-N	-1	0	250.298	0.904	20	30		CCEDRM
C=C(CC)CNC(=O)N[C@H]1CCCCN(CC(=O)[O-])C1=O	ZINC001341368385	922448416	/nfs/dbraw/zinc/44/84/16/922448416.db2.gz	MKIIRKADKMMILE-NSHDSACASA-N	-1	0	297.355	0.718	20	30		CCEDRM
C=CCNC(=O)C(C#N)=C([O-])c1nnn(C(C)(C)C)n1	ZINC001341842298	922692853	/nfs/dbraw/zinc/69/28/53/922692853.db2.gz	QETRQZXPUMRKOE-QMMMGPOBSA-N	-1	0	276.300	0.053	20	30		CCEDRM
C=CCNC(=O)C(C#N)=C([O-])c1cnn2c1CCC2	ZINC001341948289	922734134	/nfs/dbraw/zinc/73/41/34/922734134.db2.gz	QPKJGQNPVKSALH-SECBINFHSA-N	-1	0	258.281	0.454	20	30		CCEDRM
Cn1ccc(C([O-])=C(C#N)C(=O)NC2CCCC2)n1	ZINC001342112302	922808881	/nfs/dbraw/zinc/80/88/81/922808881.db2.gz	XPUFVQRNPOMQQJ-JTQLQIEISA-N	-1	0	260.297	0.801	20	30		CCEDRM
N#CC(C(=O)N1CCCC1)=C([O-])c1cnc2n1CCOC2	ZINC001342631402	923033024	/nfs/dbraw/zinc/03/30/24/923033024.db2.gz	PSPNDUPXOZGUHL-JTQLQIEISA-N	-1	0	288.307	0.358	20	30		CCEDRM
N#CC(C(=O)N1CCCC1)=C([O-])c1ccc(C(N)=O)s1	ZINC001343331778	923274041	/nfs/dbraw/zinc/27/40/41/923274041.db2.gz	ULRNPPPPQCPKKQ-MRVPVSSYSA-N	-1	0	291.332	0.792	20	30		CCEDRM
Cc1cc(C(C#N)=C([O-])[C@H]2CCC(=O)O2)nc(C)n1	ZINC001343411273	923307013	/nfs/dbraw/zinc/30/70/13/923307013.db2.gz	NUWRTLLZHFSZJE-GXSJLCMTSA-N	-1	0	259.265	0.975	20	30		CCEDRM
C=CC[C@H](NC(=O)C(=O)Nc1cc(C)on1)C(=O)[O-]	ZINC001344553584	923634150	/nfs/dbraw/zinc/63/41/50/923634150.db2.gz	UNQGEYAIHVVCTP-ZETCQYMHSA-N	-1	0	267.241	0.067	20	30		CCEDRM
C=CC1CCN(c2nnnn2CC(=O)[N-]OCC)CC1	ZINC001344827898	923700584	/nfs/dbraw/zinc/70/05/84/923700584.db2.gz	TUPBQBHBXRBBJG-UHFFFAOYSA-N	-1	0	280.332	0.143	20	30		CCEDRM
C[C@H]1CCN(c2[n-]c(=O)n(C)c(=O)c2C#N)C[C@H]1C	ZINC001348063531	924589216	/nfs/dbraw/zinc/58/92/16/924589216.db2.gz	QUZPOCOLCAGLMI-DTWKUNHWSA-N	-1	0	262.313	0.428	20	30		CCEDRM
C=CCC[C@H]1CCCN1c1[n-]c(=O)n(C)c(=O)c1C#N	ZINC001348389235	924672929	/nfs/dbraw/zinc/67/29/29/924672929.db2.gz	YEXBYHSSJBTPBJ-JTQLQIEISA-N	-1	0	274.324	0.880	20	30		CCEDRM
C=CC[C@@H](NC(=O)Cn1ccc(C)cc1=O)C(=O)[O-]	ZINC001348490234	924704264	/nfs/dbraw/zinc/70/42/64/924704264.db2.gz	NXOJZBUSUOXENQ-SNVBAGLBSA-N	-1	0	264.281	0.302	20	30		CCEDRM
C=CCOC[C@H](NCc1nccn1C1CC1)C(=O)[O-]	ZINC001352817408	925649022	/nfs/dbraw/zinc/64/90/22/925649022.db2.gz	BPRJMLLEDSCJRK-NSHDSACASA-N	-1	0	265.313	0.963	20	30		CCEDRM
CCO[N-]C(=O)CNC(=O)[C@H](CC#N)c1ccccc1	ZINC001300269648	925805722	/nfs/dbraw/zinc/80/57/22/925805722.db2.gz	DJIUHZXEBMDZJD-GFCCVEGCSA-N	-1	0	275.308	0.868	20	30		CCEDRM
C=CC[C@@H](NC(=O)[C@@H]1CCn2ccnc2C1)C(=O)[O-]	ZINC001354046435	925997180	/nfs/dbraw/zinc/99/71/80/925997180.db2.gz	BJTFMENLQFUQPX-NXEZZACHSA-N	-1	0	263.297	0.591	20	30		CCEDRM
CCOCCCNC(=O)C(C#N)=C([O-])c1cccnn1	ZINC001356131982	926348202	/nfs/dbraw/zinc/34/82/02/926348202.db2.gz	UBIDAEYMBUGSKX-JTQLQIEISA-N	-1	0	276.296	0.342	20	30		CCEDRM
C=C(C)Cn1c(-c2cc(=O)[nH][n-]2)nnc1N(C)CCC	ZINC001356548271	926400366	/nfs/dbraw/zinc/40/03/66/926400366.db2.gz	XRJWDOUVPOGDPL-UHFFFAOYSA-N	-1	0	276.344	0.924	20	30		CCEDRM
CNC(=O)C(C#N)=C([O-])c1csc(NC(C)=O)n1	ZINC001357544009	926557436	/nfs/dbraw/zinc/55/74/36/926557436.db2.gz	QOAAKCLSXRTZJP-ZCFIWIBFSA-N	-1	0	266.282	0.170	20	30		CCEDRM
N#CC(C(=O)NC1CC1)=C([O-])c1cc(C(N)=O)cs1	ZINC001357557882	926561584	/nfs/dbraw/zinc/56/15/84/926561584.db2.gz	ZBSPJTXIVHDNAP-QMMMGPOBSA-N	-1	0	277.305	0.448	20	30		CCEDRM
N#Cc1c[n-]n2c1nc(CN1CCC[C@@H]3COC[C@@H]31)cc2=O	ZINC001414009497	926829359	/nfs/dbraw/zinc/82/93/59/926829359.db2.gz	VGXPZYWOQKWCKK-MFKMUULPSA-N	-1	0	299.334	0.917	20	30		CCEDRM
C=CC[C@H](NC(=O)CCn1ccccc1=O)C(=O)[O-]	ZINC000150259518	926946328	/nfs/dbraw/zinc/94/63/28/926946328.db2.gz	VDOMYIYZVMXGFJ-JTQLQIEISA-N	-1	0	264.281	0.384	20	30		CCEDRM
C=CC[C@H](NC(=O)CCc1nc(C)no1)C(=O)[O-]	ZINC000150045516	926947467	/nfs/dbraw/zinc/94/74/67/926947467.db2.gz	DHTJEVXHICQPHK-QMMMGPOBSA-N	-1	0	253.258	0.456	20	30		CCEDRM
C=CC[C@H](NC(=O)c1cccnc1OC)C(=O)[O-]	ZINC000150236251	926948358	/nfs/dbraw/zinc/94/83/58/926948358.db2.gz	XQZGQZCXOGUNIK-VIFPVBQESA-N	-1	0	250.254	0.849	20	30		CCEDRM
CC[C@@H](C#N)N(C)C(=O)c1ccc([N-]S(C)(=O)=O)nc1	ZINC001361644138	927217753	/nfs/dbraw/zinc/21/77/53/927217753.db2.gz	MOENIBKYMGAWQJ-JTQLQIEISA-N	-1	0	296.352	0.827	20	30		CCEDRM
C[C@@H](NC(=O)Cn1cc(C#N)c(=O)[n-]c1=O)c1ccccn1	ZINC001361744819	927295638	/nfs/dbraw/zinc/29/56/38/927295638.db2.gz	MTUQXAVCANBQOJ-SECBINFHSA-N	-1	0	299.290	0.093	20	30		CCEDRM
Cc1cc(C#N)c(=O)[n-]c1C(=O)Nc1ccc(=O)n(C)c1	ZINC001361886987	927422914	/nfs/dbraw/zinc/42/29/14/927422914.db2.gz	FKRIWPQHWVXIPN-UHFFFAOYSA-N	-1	0	284.275	0.918	20	30		CCEDRM
Cc1ccc(C#N)cc1C(=O)N1CCO[C@H](c2nnn[n-]2)C1	ZINC001362088097	927601338	/nfs/dbraw/zinc/60/13/38/927601338.db2.gz	HLPKQSHUSILKLV-LBPRGKRZSA-N	-1	0	298.306	0.594	20	30		CCEDRM
CCC1(CNC(=O)Cn2cc(C#N)c(=O)[n-]c2=O)CCC1	ZINC001362400356	927968523	/nfs/dbraw/zinc/96/85/23/927968523.db2.gz	YNQUBHBHMKVIMB-UHFFFAOYSA-N	-1	0	290.323	0.517	20	30		CCEDRM
N#Cc1ncn(CCNC(=O)c2ccc(Cl)c([O-])c2)n1	ZINC001362422472	927997202	/nfs/dbraw/zinc/99/72/02/927997202.db2.gz	BAFIRDAUXQYNDI-UHFFFAOYSA-N	-1	0	291.698	0.939	20	30		CCEDRM
Cc1cc(C#N)c(=O)[n-]c1C(=O)N[C@H](C)c1ncnn1C	ZINC001362633757	928282946	/nfs/dbraw/zinc/28/29/46/928282946.db2.gz	UEVOEEUHEYYNSE-MRVPVSSYSA-N	-1	0	286.295	0.587	20	30		CCEDRM
CCC[C@@H](O)[C@H](CO)NC(=O)c1[n-]c(=O)c(C#N)cc1C	ZINC001362841073	928558115	/nfs/dbraw/zinc/55/81/15/928558115.db2.gz	XJIAOWHJTZUXBE-WDEREUQCSA-N	-1	0	293.323	0.219	20	30		CCEDRM
CCn1[n-]nnc1=NC(=O)NCc1cccc(C#N)c1	ZINC001425749960	928657714	/nfs/dbraw/zinc/65/77/14/928657714.db2.gz	GEBSQNGNRZWERB-UHFFFAOYSA-N	-1	0	271.284	0.308	20	30		CCEDRM
N#Cc1ccc([C@H]2CN(C(=O)c3n[nH]c(=O)[n-]3)CCO2)cc1	ZINC001363125649	928898125	/nfs/dbraw/zinc/89/81/25/928898125.db2.gz	TVRQUPPDYPABSO-LLVKDONJSA-N	-1	0	299.290	0.596	20	30		CCEDRM
Cn1c(=O)[n-]c(N2CCc3ccc(C#N)cc32)c(C#N)c1=O	ZINC001363140686	928911350	/nfs/dbraw/zinc/91/13/50/928911350.db2.gz	FXDXVTQJCCMYON-UHFFFAOYSA-N	-1	0	293.286	0.511	20	30		CCEDRM
COC(=O)C(C)(C)NCc1cc(=O)n2[n-]cc(C#N)c2n1	ZINC001363196625	928967118	/nfs/dbraw/zinc/96/71/18/928967118.db2.gz	NAGULHIFMUEKCF-UHFFFAOYSA-N	-1	0	289.295	0.348	20	30		CCEDRM
N#Cc1cn(CCC(=O)NCCC2CCC2)c(=O)[n-]c1=O	ZINC001363308453	929100840	/nfs/dbraw/zinc/10/08/40/929100840.db2.gz	CMNRSSSHWXHORV-UHFFFAOYSA-N	-1	0	290.323	0.517	20	30		CCEDRM
COC1(C(=O)Nc2nc(C#N)c(C#N)[n-]2)CCOCC1	ZINC001363465300	929267536	/nfs/dbraw/zinc/26/75/36/929267536.db2.gz	HZQQZYGVHOEIFW-UHFFFAOYSA-N	-1	0	275.268	0.287	20	30		CCEDRM
N#Cc1nc(NC(=O)C2=C[S@](=O)CCC2)[n-]c1C#N	ZINC001363467251	929269013	/nfs/dbraw/zinc/26/90/13/929269013.db2.gz	SNCVIEUVKVTTJD-LJQANCHMSA-N	-1	0	275.293	0.518	20	30		CCEDRM
N#Cc1nc(NC(=O)C[C@H]2CCCS2(=O)=O)[n-]c1C#N	ZINC001363648283	929452913	/nfs/dbraw/zinc/45/29/13/929452913.db2.gz	WRZCJQCOOUXWLD-SSDOTTSWSA-N	-1	0	293.308	0.059	20	30		CCEDRM
N#CC1(CNC(=O)CSc2n[nH]c(=O)[n-]2)CCOCC1	ZINC001363692182	929490768	/nfs/dbraw/zinc/49/07/68/929490768.db2.gz	HSVFHOUWTKSOHA-UHFFFAOYSA-N	-1	0	297.340	0.039	20	30		CCEDRM
CN(CCC(=O)[O-])C(=O)C(=O)N1CCC[C@@](C)(C#N)C1	ZINC001610920753	970790911	/nfs/dbraw/zinc/79/09/11/970790911.db2.gz	XLDWQPPELRQDJE-ZDUSSCGKSA-N	-1	0	281.312	0.072	20	30		CCEDRM
CN(CCC(=O)[O-])CCS(=O)(=O)c1ccc(C#N)cn1	ZINC001610934937	970794663	/nfs/dbraw/zinc/79/46/63/970794663.db2.gz	FSOYQXJMLXWHOF-UHFFFAOYSA-N	-1	0	297.336	0.133	20	30		CCEDRM
N#CCc1cccc(S(=O)(=O)N[C@H]2C[C@@H](C(=O)[O-])C2)c1	ZINC001601078008	970928354	/nfs/dbraw/zinc/92/83/54/970928354.db2.gz	NARQYQBTHIIIRV-PHIMTYICSA-N	-1	0	294.332	0.894	20	30		CCEDRM
C#CC1(O)CN(C(=O)NCCCCCC(=O)[O-])C1	ZINC001602672578	971238183	/nfs/dbraw/zinc/23/81/83/971238183.db2.gz	OKKQOOULJAUTCR-UHFFFAOYSA-N	-1	0	254.286	0.021	20	30		CCEDRM
C#C[C@@H](NC(=O)[C@]1(C(=O)[O-])C[C@H]1C)[C@@H]1CCCO1	ZINC001602673285	971239172	/nfs/dbraw/zinc/23/91/72/971239172.db2.gz	SQNSQDOKIMDLHA-DNJQJEMRSA-N	-1	0	251.282	0.394	20	30		CCEDRM
C#CC[C@@H](NC(=O)c1ccc(C(=O)[O-])cn1)C(=O)OC	ZINC001602675179	971246014	/nfs/dbraw/zinc/24/60/14/971246014.db2.gz	LJYPPRMITALBAV-SNVBAGLBSA-N	-1	0	276.248	0.075	20	30		CCEDRM
C#CC[C@H](COC)NC(=O)[C@@]1(C(=O)[O-])CC=CCC1	ZINC001602675420	971248645	/nfs/dbraw/zinc/24/86/45/971248645.db2.gz	VJLLSYKEGZGVRX-BXUZGUMPSA-N	-1	0	265.309	0.952	20	30		CCEDRM
C#CCCCCNC(=O)C(=O)NC1CCC(C(=O)[O-])CC1	ZINC001602675712	971252631	/nfs/dbraw/zinc/25/26/31/971252631.db2.gz	KFFVFFBRISAPMP-UHFFFAOYSA-N	-1	0	294.351	0.666	20	30		CCEDRM
C#CCN(CC(=O)[O-])C(=O)[C@@H]1CC(=O)N[C@H]2CCCC[C@@H]12	ZINC001602682190	971265360	/nfs/dbraw/zinc/26/53/60/971265360.db2.gz	HYCVNLWOEUYCNW-TUAOUCFPSA-N	-1	0	292.335	0.228	20	30		CCEDRM
C#CCN(CC(=O)[O-])C(=O)CCc1cc(C)on1	ZINC001602682645	971269951	/nfs/dbraw/zinc/26/99/51/971269951.db2.gz	RIXYFXFKLBVQRP-UHFFFAOYSA-N	-1	0	250.254	0.462	20	30		CCEDRM
C#CCN(CC(=O)[O-])C(=O)NCCC1CC(OCC)C1	ZINC001602686181	971286508	/nfs/dbraw/zinc/28/65/08/971286508.db2.gz	TYDKZQOTNAWLFI-UHFFFAOYSA-N	-1	0	282.340	0.921	20	30		CCEDRM
C#CCN(CC(=O)[O-])C(=O)Nc1ccn(CCF)n1	ZINC001602688109	971288504	/nfs/dbraw/zinc/28/85/04/971288504.db2.gz	CFUVJZGZVOCMQR-UHFFFAOYSA-N	-1	0	268.248	0.404	20	30		CCEDRM
C#CCN(CC(=O)[O-])C(=O)c1cccc([S@](C)=O)c1	ZINC001602692042	971299766	/nfs/dbraw/zinc/29/97/66/971299766.db2.gz	CCCWCDYGRAARFQ-IBGZPJMESA-N	-1	0	279.317	0.584	20	30		CCEDRM
C#CCN(CC(=O)[O-])C(=O)c1ccnc(OC(F)F)c1	ZINC001602692107	971300749	/nfs/dbraw/zinc/30/07/49/971300749.db2.gz	FXGFCGGZLMVGAE-UHFFFAOYSA-N	-1	0	284.218	0.843	20	30		CCEDRM
C#CCN(CC(=O)[O-])C[C@H](O)C[C@H](O)c1ccccc1	ZINC001602695783	971312219	/nfs/dbraw/zinc/31/22/19/971312219.db2.gz	SMRUFQYHABDJFD-KGLIPLIRSA-N	-1	0	277.320	0.491	20	30		CCEDRM
C#CCN(CC(=O)[O-])[C@H](C(=O)N(C)C)c1ccccc1	ZINC001602695838	971312525	/nfs/dbraw/zinc/31/25/25/971312525.db2.gz	VLIUFMGWSVFCJZ-AWEZNQCLSA-N	-1	0	274.320	0.836	20	30		CCEDRM
C#CCN(CC(=O)[O-])c1nnnn1CC[C@@H]1CCCOC1	ZINC001602700620	971318927	/nfs/dbraw/zinc/31/89/27/971318927.db2.gz	BGUBGBCCONDHGH-NSHDSACASA-N	-1	0	293.327	0.014	20	30		CCEDRM
C#CCN(CC(=O)[O-])c1nnnn1C[C@@H]1C[C@@H](C)O[C@H]1C	ZINC001602700606	971319293	/nfs/dbraw/zinc/31/92/93/971319293.db2.gz	ATKLQNROTSVEQE-VWYCJHECSA-N	-1	0	293.327	0.011	20	30		CCEDRM
C#CCN(CC(=O)[O-])c1nnnn1C1CCC(OC)CC1	ZINC001602701020	971325389	/nfs/dbraw/zinc/32/53/89/971325389.db2.gz	SDTCAFVDMRBUFM-UHFFFAOYSA-N	-1	0	293.327	0.327	20	30		CCEDRM
C#C[C@H]1CC[C@H](n2nnnc2N2CC[C@@H](C(=O)[O-])C2)CC1	ZINC001602704838	971338557	/nfs/dbraw/zinc/33/85/57/971338557.db2.gz	WXVKNHVOYNMOLA-IJLUTSLNSA-N	-1	0	289.339	0.949	20	30		CCEDRM
C=C(C)[C@@H]1OCC[C@H]1CNC(=O)C(=O)N(C)CCC(=O)[O-]	ZINC001602706942	971340800	/nfs/dbraw/zinc/34/08/00/971340800.db2.gz	GCGDXOOUPAWCJR-JQWIXIFHSA-N	-1	0	298.339	0.017	20	30		CCEDRM
C#Cc1ccc(S(=O)(=O)N2CCC[C@H]2C(=O)[O-])cc1	ZINC001602707502	971344680	/nfs/dbraw/zinc/34/46/80/971344680.db2.gz	XSULULNWZPVRAF-LBPRGKRZSA-N	-1	0	279.317	0.906	20	30		CCEDRM
C=C(C)C[C@@H](NC(C)=O)C(=O)Nc1cc(C(=O)[O-])n[nH]1	ZINC001602709434	971345946	/nfs/dbraw/zinc/34/59/46/971345946.db2.gz	AHGOXFLOBAQVOZ-MRVPVSSYSA-N	-1	0	280.284	0.517	20	30		CCEDRM
C=C(C)CN(CC)C(=O)CON1C[C@H](C(=O)[O-])CC1=O	ZINC001602710443	971351556	/nfs/dbraw/zinc/35/15/56/971351556.db2.gz	WRQZOCSPBMZEJP-SNVBAGLBSA-N	-1	0	284.312	0.276	20	30		CCEDRM
C=C[C@@H](C)OC(=O)C1(C(=O)[O-])CCS(=O)(=O)CC1	ZINC001602717703	971370365	/nfs/dbraw/zinc/37/03/65/971370365.db2.gz	YMNWUDCVYVSULJ-MRVPVSSYSA-N	-1	0	276.310	0.384	20	30		CCEDRM
C=CC[C@@H](NC(=O)[C@](C)(OC)C(=O)[O-])C(=O)OCC	ZINC001602718373	971374101	/nfs/dbraw/zinc/37/41/01/971374101.db2.gz	KXSLLOHVHVEWLQ-PELKAZGASA-N	-1	0	273.285	0.100	20	30		CCEDRM
C=CC[C@@H](C=C)OC(=O)c1cn(CC(=O)[O-])nn1	ZINC001602718924	971379503	/nfs/dbraw/zinc/37/95/03/971379503.db2.gz	ZEXKETVNMVWPJN-MRVPVSSYSA-N	-1	0	251.242	0.650	20	30		CCEDRM
C=CCN(CC=C)C(=O)C(=O)N1CCC[C@@H](CC(=O)[O-])C1	ZINC001602722833	971390339	/nfs/dbraw/zinc/39/03/39/971390339.db2.gz	SUZQGBSWWIQZCT-LBPRGKRZSA-N	-1	0	294.351	0.900	20	30		CCEDRM
C=CCN1CC[C@@H](OC(=O)[C@@]2(C(=O)[O-])CC2(C)C)C1=O	ZINC001602722948	971391250	/nfs/dbraw/zinc/39/12/50/971391250.db2.gz	CFKVVEPQZWJAPO-OTYXRUKQSA-N	-1	0	281.308	0.817	20	30		CCEDRM
C=CCn1nnn(CN2CC[C@@H](C(=O)[O-])[C@@H](C)C2)c1=S	ZINC001602730927	971410171	/nfs/dbraw/zinc/41/01/71/971410171.db2.gz	KUOVBMQUVNZPEL-VHSXEESVSA-N	-1	0	297.384	0.995	20	30		CCEDRM
C[C@](C#N)(CC(=O)[O-])C(=O)NCCO[C@H]1CCCCO1	ZINC001602781391	971523337	/nfs/dbraw/zinc/52/33/37/971523337.db2.gz	YTSSKUDDKQDZDT-WCQYABFASA-N	-1	0	284.312	0.650	20	30		CCEDRM
N#Cc1ccccc1OCC(=O)Nc1cc(C(=O)[O-])n[nH]1	ZINC000080670786	949012053	/nfs/dbraw/zinc/01/20/53/949012053.db2.gz	UFXKRVVTCCSNKL-UHFFFAOYSA-N	-1	0	286.247	0.997	20	30		CCEDRM
CN(C(=O)c1cn(CC(=O)[O-])nn1)c1cccc(C#N)c1	ZINC000090719577	949132103	/nfs/dbraw/zinc/13/21/03/949132103.db2.gz	DUSVTUCKFRJROV-UHFFFAOYSA-N	-1	0	285.263	0.511	20	30		CCEDRM
CC[C@H](CNS(=O)(=O)c1cccnc1C#N)C(=O)[O-]	ZINC000234021130	949810261	/nfs/dbraw/zinc/81/02/61/949810261.db2.gz	OMGLZOLIXZEKPE-MRVPVSSYSA-N	-1	0	283.309	0.342	20	30		CCEDRM
CCCN(CC(=O)[O-])Cn1nc(CC#N)n(C)c1=S	ZINC001589669664	949923040	/nfs/dbraw/zinc/92/30/40/949923040.db2.gz	MNRCHGARHZCCHD-UHFFFAOYSA-N	-1	0	283.357	0.771	20	30		CCEDRM
CCN(CC(=O)NCc1ccc(C#N)cc1)[C@@H](C)C(=O)[O-]	ZINC001589719050	950393968	/nfs/dbraw/zinc/39/39/68/950393968.db2.gz	NQIVRCHOJXGKEE-NSHDSACASA-N	-1	0	289.335	0.969	20	30		CCEDRM
CCN(CCC#N)C(=O)CN1CCC[C@]1(C)C(=O)[O-]	ZINC001589729840	950484911	/nfs/dbraw/zinc/48/49/11/950484911.db2.gz	CLUCJTGLFIOXSG-CYBMUJFWSA-N	-1	0	267.329	0.688	20	30		CCEDRM
C#CCN(CC(=O)[O-])C(=O)Nc1cncc(F)c1	ZINC000306001221	950589564	/nfs/dbraw/zinc/58/95/64/950589564.db2.gz	PTTACSGGZRSXBO-UHFFFAOYSA-N	-1	0	251.217	0.772	20	30		CCEDRM
CC[C@H](C#N)NC(=O)C1(CC(=O)[O-])CCOCC1	ZINC001593609895	953458895	/nfs/dbraw/zinc/45/88/95/953458895.db2.gz	VDTDPRMMUQCWJP-SECBINFHSA-N	-1	0	254.286	0.676	20	30		CCEDRM
O=C([O-])C1(C(=O)NCc2ccc(C(=O)NO)cc2)CCC1	ZINC001594781405	953631778	/nfs/dbraw/zinc/63/17/78/953631778.db2.gz	MZKLSCWKQSLFPR-UHFFFAOYSA-N	-1	0	292.291	0.677	20	30		CCEDRM
CN(C(=O)[C@H]1CC(C(=O)[O-])=NO1)C1(C#N)CCC1	ZINC001593674947	953911168	/nfs/dbraw/zinc/91/11/68/953911168.db2.gz	GGRYCMUATQKTRO-MRVPVSSYSA-N	-1	0	251.242	0.121	20	30		CCEDRM
CN(C(=O)COC(=O)[C@]1(C(=O)[O-])CC1(C)C)C(C)(C)C#N	ZINC001593676351	953930893	/nfs/dbraw/zinc/93/08/93/953930893.db2.gz	QVLQWPDFFFYZJI-CQSZACIVSA-N	-1	0	296.323	0.791	20	30		CCEDRM
CN(CC(=O)[O-])Cc1cn([C@@H](C#N)c2ccccc2)nn1	ZINC001593722558	954260221	/nfs/dbraw/zinc/26/02/21/954260221.db2.gz	JCHYMMWEXWPUKE-ZDUSSCGKSA-N	-1	0	285.307	0.907	20	30		CCEDRM
CC[C@H](CC#N)OC(=O)c1cc(C(=O)[O-])nn1C	ZINC001589463598	954877156	/nfs/dbraw/zinc/87/71/56/954877156.db2.gz	FCCBOUYFUXVHHZ-SSDOTTSWSA-N	-1	0	251.242	0.967	20	30		CCEDRM
COC(=O)CCN(CC#N)C(=O)[C@@H](C(=O)[O-])C1CCCC1	ZINC001593836162	955314533	/nfs/dbraw/zinc/31/45/33/955314533.db2.gz	SLPKNCDOJAQMTM-LBPRGKRZSA-N	-1	0	296.323	0.793	20	30		CCEDRM
COC(=O)CC[C@H](NC(=O)C1(C#N)CCC1)C(=O)[O-]	ZINC001593844794	955399744	/nfs/dbraw/zinc/39/97/44/955399744.db2.gz	BXQRQSNZVWUWDE-QMMMGPOBSA-N	-1	0	268.269	0.203	20	30		CCEDRM
Cn1cc(C(=O)/C=C\c2cc(C(=O)[O-])nn2C)nn1	ZINC001594526157	955503265	/nfs/dbraw/zinc/50/32/65/955503265.db2.gz	WUJWJBHUYACZIR-ARJAWSKDSA-N	-1	0	261.241	0.143	20	30		CCEDRM
C[C@@H](CNC(=O)N[C@H](CC#N)C(F)(F)F)C(=O)[O-]	ZINC001589050543	955656355	/nfs/dbraw/zinc/65/63/55/955656355.db2.gz	FZYKHNNVBGKNNW-NTSWFWBYSA-N	-1	0	267.207	0.851	20	30		CCEDRM
CO[C@@H](C(=O)[O-])C(=O)N(C1CC1)C1(C#N)CCC1	ZINC001593902286	955882360	/nfs/dbraw/zinc/88/23/60/955882360.db2.gz	OYTZVHOIYARLKM-SECBINFHSA-N	-1	0	252.270	0.523	20	30		CCEDRM
CO[C@@H](C(=O)[O-])C(=O)N(CCC#N)CC(C)(C)C	ZINC001593902282	955883030	/nfs/dbraw/zinc/88/30/30/955883030.db2.gz	OQEKBAGSUJFCLB-SECBINFHSA-N	-1	0	256.302	0.874	20	30		CCEDRM
Cn1nccc1[C@H](NC(=O)Cc1ccc(C#N)cc1)C(=O)[O-]	ZINC001594588031	956017645	/nfs/dbraw/zinc/01/76/45/956017645.db2.gz	AYHUETLISJHFKN-AWEZNQCLSA-N	-1	0	298.302	0.776	20	30		CCEDRM
CO[C@](C)(C(=O)[O-])C(=O)Nc1n[nH]c(C2CC2)c1C#N	ZINC001593929756	956160285	/nfs/dbraw/zinc/16/02/85/956160285.db2.gz	FMCBTCXOZBEUII-LBPRGKRZSA-N	-1	0	278.268	0.587	20	30		CCEDRM
N#C[C@@H]1CCCN(CN2C[C@@H](C(=O)[O-])CC2=O)C1	ZINC001594605509	956167466	/nfs/dbraw/zinc/16/74/66/956167466.db2.gz	FZLKDVOCDUIQLO-UWVGGRQHSA-N	-1	0	251.286	0.113	20	30		CCEDRM
N#CCC1CCN(CCS(=O)(=O)CC(=O)[O-])CC1	ZINC001594606430	956182858	/nfs/dbraw/zinc/18/28/58/956182858.db2.gz	UFVRENPYCCESBR-UHFFFAOYSA-N	-1	0	274.342	0.111	20	30		CCEDRM
N#CCC1(O)CN(C(=O)C2(CC(=O)[O-])CCC2)C1	ZINC001594606593	956185237	/nfs/dbraw/zinc/18/52/37/956185237.db2.gz	WQSIZBIOAVLDPG-UHFFFAOYSA-N	-1	0	252.270	0.118	20	30		CCEDRM
N#CCCCCNC(=O)C(=O)N1CCC[C@@H](C(=O)[O-])C1	ZINC001594609109	956189683	/nfs/dbraw/zinc/18/96/83/956189683.db2.gz	PLJSDEDXSMWZSQ-SNVBAGLBSA-N	-1	0	281.312	0.120	20	30		CCEDRM
N#CCNC(=O)CN[C@@H](C(=O)[O-])c1ccc(F)cc1	ZINC001594609471	956191692	/nfs/dbraw/zinc/19/16/92/956191692.db2.gz	AJMYANDBFJYLHJ-LLVKDONJSA-N	-1	0	265.244	0.181	20	30		CCEDRM
N#CCNC(=O)CNC(=O)Nc1ccc(C(=O)[O-])cc1F	ZINC001594609702	956194793	/nfs/dbraw/zinc/19/47/93/956194793.db2.gz	IDWXMWOAFOLLTI-UHFFFAOYSA-N	-1	0	294.242	0.285	20	30		CCEDRM
N#CCc1ccc(COC(=O)COCC(=O)[O-])cc1	ZINC001594611444	956214670	/nfs/dbraw/zinc/21/46/70/956214670.db2.gz	QPNDAGWMACCDAJ-UHFFFAOYSA-N	-1	0	263.249	0.897	20	30		CCEDRM
N#CCc1ccsc1C(=O)N[C@@]1(C(=O)[O-])CCOC1	ZINC001594611448	956215456	/nfs/dbraw/zinc/21/54/56/956215456.db2.gz	TYEFAGJPRLZFNP-LBPRGKRZSA-N	-1	0	280.305	0.788	20	30		CCEDRM
N#Cc1cc(C(=O)O[C@@H]2CCN(CC(=O)[O-])C2=O)cs1	ZINC001594617071	956246432	/nfs/dbraw/zinc/24/64/32/956246432.db2.gz	XAYGRRDPLYBNKZ-SECBINFHSA-N	-1	0	294.288	0.462	20	30		CCEDRM
N#Cc1ccc(O[C@H]2CCN(C(=O)CCC(=O)[O-])C2)nc1	ZINC001594624244	956302788	/nfs/dbraw/zinc/30/27/88/956302788.db2.gz	VFOMEZQIZOIOKA-NSHDSACASA-N	-1	0	289.291	0.798	20	30		CCEDRM
N#Cc1cccc(C2(NC(=O)C(=O)[O-])CCOCC2)c1	ZINC001594626359	956317884	/nfs/dbraw/zinc/31/78/84/956317884.db2.gz	XUMLOSNZRVLRIN-UHFFFAOYSA-N	-1	0	274.276	0.765	20	30		CCEDRM
N#Cc1cccc([N+](=O)[O-])c1COC(=O)COCC(=O)[O-]	ZINC001594628589	956333491	/nfs/dbraw/zinc/33/34/91/956333491.db2.gz	DWNGIVROMWKCCT-UHFFFAOYSA-N	-1	0	294.219	0.611	20	30		CCEDRM
N#Cc1ncn(CC(=O)N2CCC[C@@H](CCC(=O)[O-])C2)n1	ZINC001594635956	956372006	/nfs/dbraw/zinc/37/20/06/956372006.db2.gz	ZNZZGRASKDGZEF-JTQLQIEISA-N	-1	0	291.311	0.253	20	30		CCEDRM
COCC#CCOC(=O)C1(CC(=O)[O-])CCOCC1	ZINC001593951368	956389036	/nfs/dbraw/zinc/38/90/36/956389036.db2.gz	NPMDKROBBKIWJR-UHFFFAOYSA-N	-1	0	270.281	0.451	20	30		CCEDRM
C[C@H](OC(=O)[C@]1(C(=O)[O-])C[C@H]1C)C(=O)N(C)CCC#N	ZINC001589159332	956395331	/nfs/dbraw/zinc/39/53/31/956395331.db2.gz	LTTHYLZHTCPDMT-VYUIOLGVSA-N	-1	0	282.296	0.401	20	30		CCEDRM
COCC#CC(=O)N1CCC(CCC(=O)[O-])CC1	ZINC001593952003	956400170	/nfs/dbraw/zinc/40/01/70/956400170.db2.gz	XKOHNHIXRQDAKK-UHFFFAOYSA-N	-1	0	253.298	0.740	20	30		CCEDRM
COC[C@H](NC(=O)[C@](C)(C#N)CC(=O)[O-])C1CCOCC1	ZINC001593956519	956433351	/nfs/dbraw/zinc/43/33/51/956433351.db2.gz	APFZOKWZNFBZML-FZMZJTMJSA-N	-1	0	298.339	0.549	20	30		CCEDRM
CC(C)(C)[C@@H](C(=O)[O-])C(=O)N1CCO[C@](C)(C#N)C1	ZINC001589181469	956524419	/nfs/dbraw/zinc/52/44/19/956524419.db2.gz	JEPVEDHESITFRR-NOZJJQNGSA-N	-1	0	268.313	0.874	20	30		CCEDRM
CC1(C#N)CCN(C(=O)C(=O)N[C@H]2C[C@@H](C(=O)[O-])C2)CC1	ZINC001589181633	956526735	/nfs/dbraw/zinc/52/67/35/956526735.db2.gz	NEURQAXNTOEUAK-AOOOYVTPSA-N	-1	0	293.323	0.118	20	30		CCEDRM
C[C@@]1(C#N)CN(C(=O)c2ccc(C(=O)[O-])nc2)CCO1	ZINC001589181848	956530507	/nfs/dbraw/zinc/53/05/07/956530507.db2.gz	SALJCVHNUCDLBZ-CYBMUJFWSA-N	-1	0	275.264	0.534	20	30		CCEDRM
O=C([O-])[C@@H](Cc1ccncc1)NC(=O)C#CC1CC1	ZINC001594667870	956594981	/nfs/dbraw/zinc/59/49/81/956594981.db2.gz	PGQDCUXVXPJKTK-GFCCVEGCSA-N	-1	0	258.277	0.607	20	30		CCEDRM
COCCN(CC(=O)[O-])C(=O)c1cccc(C#N)n1	ZINC001593998775	956911749	/nfs/dbraw/zinc/91/17/49/956911749.db2.gz	JTMKXCCBALXBCN-UHFFFAOYSA-N	-1	0	263.253	0.126	20	30		CCEDRM
C#CC[C@H](NC(=O)c1cccc(NC(C)=O)c1)C(=O)[O-]	ZINC000059974618	957568223	/nfs/dbraw/zinc/56/82/23/957568223.db2.gz	CKCCSMZPVNWADJ-LBPRGKRZSA-N	-1	0	274.276	0.851	20	30		CCEDRM
N#Cc1ccc(F)c(CN2CCNC(=O)[C@@H]2CC(=O)[O-])c1	ZINC000071246541	957713189	/nfs/dbraw/zinc/71/31/89/957713189.db2.gz	MKUDKYPZOKVXSW-LBPRGKRZSA-N	-1	0	291.282	0.472	20	30		CCEDRM
CON(C(=O)C#Cc1ccc2c(c1)OCO2)[C@H](C)C(=O)[O-]	ZINC001594032823	957776160	/nfs/dbraw/zinc/77/61/60/957776160.db2.gz	HSEZMIGTJBAAFP-SECBINFHSA-N	-1	0	291.259	0.630	20	30		CCEDRM
C#C[C@H]1COCCN1C(=O)c1coc(/C=C\C(=O)[O-])c1	ZINC001588388819	958001672	/nfs/dbraw/zinc/00/16/72/958001672.db2.gz	HLFIWKOMOMYEEI-BYCRGOAPSA-N	-1	0	275.260	0.852	20	30		CCEDRM
C#CC[C@@H](NC(=O)C1(C(=O)[O-])CCSCC1)C(=O)OC	ZINC001588388987	958003177	/nfs/dbraw/zinc/00/31/77/958003177.db2.gz	JKWWUNPBYXESOF-SECBINFHSA-N	-1	0	299.348	0.266	20	30		CCEDRM
C#C[C@H]1CCCN(C(=O)[C@H]2CCCN(CC(=O)[O-])C2=O)C1	ZINC001588389633	958010615	/nfs/dbraw/zinc/01/06/15/958010615.db2.gz	YRSYURJOMFKWHA-NWDGAFQWSA-N	-1	0	292.335	0.181	20	30		CCEDRM
C#CCCN1CCN(C(=O)[C@]2(C(=O)[O-])C[C@H]2C)CC1	ZINC001588390705	958011383	/nfs/dbraw/zinc/01/13/83/958011383.db2.gz	CSSLNDYTKXTDQE-RISCZKNCSA-N	-1	0	264.325	0.265	20	30		CCEDRM
C#CCC1(NC(=O)c2cc(C(=O)[O-])nn2C)CCOCC1	ZINC001588391159	958020401	/nfs/dbraw/zinc/02/04/01/958020401.db2.gz	BUVLXLQUNIHOHQ-UHFFFAOYSA-N	-1	0	291.307	0.421	20	30		CCEDRM
C#CC[C@H]1NC(=O)N(CC2(C(=O)[O-])CCC2)C1=O	ZINC001588392323	958033454	/nfs/dbraw/zinc/03/34/54/958033454.db2.gz	XHGQUZKMYZCQJX-MRVPVSSYSA-N	-1	0	250.254	0.185	20	30		CCEDRM
C#CCN(C(=O)CSCC(=O)[O-])C1CSC1	ZINC001588395509	958041527	/nfs/dbraw/zinc/04/15/27/958041527.db2.gz	HBYRHONHJMLKKK-UHFFFAOYSA-N	-1	0	259.352	0.381	20	30		CCEDRM
C#CCN(CC(=O)[O-])C(=O)[C@@H]1C[C@]12C(=O)Nc1ccccc12	ZINC001588398632	958067884	/nfs/dbraw/zinc/06/78/84/958067884.db2.gz	AVZGBLFTMTVKDC-MEDUHNTESA-N	-1	0	298.298	0.443	20	30		CCEDRM
C#CCN(CC(=O)[O-])C(=O)C1(OCC)CCCC1	ZINC001588399340	958072435	/nfs/dbraw/zinc/07/24/35/958072435.db2.gz	JCWULUAIEPKCIW-UHFFFAOYSA-N	-1	0	253.298	0.882	20	30		CCEDRM
C#CCN(CC(=O)[O-])C(=O)/C=C\c1cccc(O)c1	ZINC001588400419	958083240	/nfs/dbraw/zinc/08/32/40/958083240.db2.gz	XEBIMQPXCAWHNS-SREVYHEPSA-N	-1	0	259.261	0.952	20	30		CCEDRM
C#CCN(CC(=O)[O-])C(=O)CN(C)Cc1ccccc1	ZINC001588401774	958084650	/nfs/dbraw/zinc/08/46/50/958084650.db2.gz	CPRJYQGVCTVZHW-UHFFFAOYSA-N	-1	0	274.320	0.665	20	30		CCEDRM
C#CCN(CC(=O)[O-])C(=O)C[C@@H]1CCOC[C@H]1OCC	ZINC001588402648	958092662	/nfs/dbraw/zinc/09/26/62/958092662.db2.gz	ZGBLGYUQHWUSQI-NWDGAFQWSA-N	-1	0	283.324	0.365	20	30		CCEDRM
C#CCN(CC(=O)[O-])C(=O)CSCC(F)(F)F	ZINC001588407622	958101153	/nfs/dbraw/zinc/10/11/53/958101153.db2.gz	RYYUICWTQUFZLA-UHFFFAOYSA-N	-1	0	269.244	0.828	20	30		CCEDRM
C#CCN(CC(=O)[O-])C(=O)Cc1ccccc1CC#N	ZINC001588407808	958102533	/nfs/dbraw/zinc/10/25/33/958102533.db2.gz	VYWOWJRQXATYAQ-UHFFFAOYSA-N	-1	0	270.288	0.842	20	30		CCEDRM
C#CCN(CC(=O)[O-])C(=O)N[C@H]1C[C@](C)(OC)C1(C)C	ZINC001588410593	958140391	/nfs/dbraw/zinc/14/03/91/958140391.db2.gz	XMZHVTWRIGJRSI-HZMBPMFUSA-N	-1	0	282.340	0.919	20	30		CCEDRM
C#CCN(CC(=O)[O-])C(=O)Nc1cc(COC)ncn1	ZINC001588410991	958143336	/nfs/dbraw/zinc/14/33/36/958143336.db2.gz	DCCCKBQYRRNZNQ-UHFFFAOYSA-N	-1	0	278.268	0.175	20	30		CCEDRM
C#CCN(CC(=O)[O-])C(=O)Nc1ccc(C(C)=O)cn1	ZINC001588411163	958146311	/nfs/dbraw/zinc/14/63/11/958146311.db2.gz	OHHWKXTUSDNFFN-UHFFFAOYSA-N	-1	0	275.264	0.836	20	30		CCEDRM
C#CCN(CC(=O)[O-])C(=O)c1cc(NC(C)=O)ccc1F	ZINC001588415930	958160137	/nfs/dbraw/zinc/16/01/37/958160137.db2.gz	DECUZMFKSNLQSD-UHFFFAOYSA-N	-1	0	292.266	0.944	20	30		CCEDRM
C#CCN(CC(=O)[O-])C(=O)c1c(C)c(F)ccc1N	ZINC001588417582	958176606	/nfs/dbraw/zinc/17/66/06/958176606.db2.gz	XDVOTCMADVSYRZ-UHFFFAOYSA-N	-1	0	264.256	0.876	20	30		CCEDRM
C#CCN(CC(=O)[O-])C(=O)c1ccc2[nH]cnc2c1F	ZINC001588418887	958188438	/nfs/dbraw/zinc/18/84/38/958188438.db2.gz	IRXULAMIAZLNNR-UHFFFAOYSA-N	-1	0	275.239	0.862	20	30		CCEDRM
C#CCN(CC(=O)[O-])C(=O)c1ccnc(N2CCCC2)n1	ZINC001588419176	958192204	/nfs/dbraw/zinc/19/22/04/958192204.db2.gz	WBQHGGQJZWUCOC-UHFFFAOYSA-N	-1	0	288.307	0.237	20	30		CCEDRM
C#CCN(CC(=O)[O-])C(=O)c1cccn(C(C)(C)C)c1=O	ZINC001588419231	958194266	/nfs/dbraw/zinc/19/42/66/958194266.db2.gz	YPGASFJFFGSELH-UHFFFAOYSA-N	-1	0	290.319	0.763	20	30		CCEDRM
C#CCN(CC(=O)[O-])Cc1cncc(C(=O)OC)c1	ZINC001588425409	958225158	/nfs/dbraw/zinc/22/51/58/958225158.db2.gz	RGDMCOCAMYPBQH-UHFFFAOYSA-N	-1	0	262.265	0.388	20	30		CCEDRM
C#CCN(CC(=O)[O-])S(=O)(=O)CC1CC(C)C1	ZINC001588425527	958226570	/nfs/dbraw/zinc/22/65/70/958226570.db2.gz	XBGGNYJRMMILIS-UHFFFAOYSA-N	-1	0	259.327	0.382	20	30		CCEDRM
C#CCN1CCC[C@H]1C(=O)N(CCC)CC(=O)[O-]	ZINC001588429687	958248871	/nfs/dbraw/zinc/24/88/71/958248871.db2.gz	ARJSQEMGDRWBKC-NSHDSACASA-N	-1	0	252.314	0.407	20	30		CCEDRM
C#CCN1CCC[C@H](NC(=O)[C@]2(C(=O)[O-])C[C@H]2C)C1	ZINC001588429811	958250594	/nfs/dbraw/zinc/25/05/94/958250594.db2.gz	DHLUXBBXLJGNCE-SUNKGSAMSA-N	-1	0	264.325	0.311	20	30		CCEDRM
C#CCNC(=O)C1CCN(C(=O)C2(C(=O)[O-])CCC2)CC1	ZINC001588429815	958251012	/nfs/dbraw/zinc/25/10/12/958251012.db2.gz	DJRVFVJCVJPQJP-UHFFFAOYSA-N	-1	0	292.335	0.229	20	30		CCEDRM
C#CCN1CCN(C(=O)C2(C(=O)[O-])C(C)(C)C2(C)C)CC1	ZINC001588431025	958264899	/nfs/dbraw/zinc/26/48/99/958264899.db2.gz	SAFHPBCKDLYJOJ-UHFFFAOYSA-N	-1	0	292.379	0.901	20	30		CCEDRM
C#CCN(CCC(=O)NCc1cnc(C)s1)CC(=O)[O-]	ZINC001588432518	958287210	/nfs/dbraw/zinc/28/72/10/958287210.db2.gz	ZZDRRGOXOGIGQX-UHFFFAOYSA-N	-1	0	295.364	0.478	20	30		CCEDRM
C=C(CCC(=O)OC)C(=O)N1CCC[C@@H]1C(=O)[O-]	ZINC001588444688	958364083	/nfs/dbraw/zinc/36/40/83/958364083.db2.gz	NZYAZMMETZSFRI-SECBINFHSA-N	-1	0	255.270	0.571	20	30		CCEDRM
C=C1C[C@H]2CC[C@@H](C1)N2C(=O)C(=O)NC[C@@H](C)C(=O)[O-]	ZINC001588445526	958373670	/nfs/dbraw/zinc/37/36/70/958373670.db2.gz	KKERQRWGJNKLCT-MXWKQRLJSA-N	-1	0	280.324	0.533	20	30		CCEDRM
C=C[C@@H](CC)CC(=O)N1CCN(C(=O)C(=O)[O-])CC1	ZINC001588451088	958404424	/nfs/dbraw/zinc/40/44/24/958404424.db2.gz	LUNKJKFASMFZCA-JTQLQIEISA-N	-1	0	268.313	0.344	20	30		CCEDRM
C=C[C@@H](COC)NC(=O)C(=O)Nc1cccc(C(=O)[O-])c1	ZINC001588451464	958412500	/nfs/dbraw/zinc/41/25/00/958412500.db2.gz	XNWWHRLSIOFSSW-JTQLQIEISA-N	-1	0	292.291	0.641	20	30		CCEDRM
C=C[C@H]1CCCCN1C(=O)[C@@H]1CC(C(=O)[O-])=NO1	ZINC001588451979	958417310	/nfs/dbraw/zinc/41/73/10/958417310.db2.gz	GOGOTZFLKUNVCU-WPRPVWTQSA-N	-1	0	252.270	0.783	20	30		CCEDRM
C=C[C@@H](O)c1nnc(N2CC[C@@H](C(=O)[O-])C2)n1CC1CC1	ZINC001588452417	958421848	/nfs/dbraw/zinc/42/18/48/958421848.db2.gz	OWMJZYLNUBENGY-GHMZBOCLSA-N	-1	0	292.339	0.818	20	30		CCEDRM
C=C[C@@H](O)C(=O)N[C@@H](C)[C@@H]1C[C@H](C(=O)[O-])C1(C)C	ZINC001588452339	958422185	/nfs/dbraw/zinc/42/21/85/958422185.db2.gz	NXQASRCXHANSLK-AXTSPUMRSA-N	-1	0	255.314	0.785	20	30		CCEDRM
C=CC[C@@H](NC(=O)[C@H](C(=O)[O-])C(C)C)C(=O)OCC	ZINC001588453249	958434737	/nfs/dbraw/zinc/43/47/37/958434737.db2.gz	TVJRDTWNGLZZKZ-NXEZZACHSA-N	-1	0	271.313	0.967	20	30		CCEDRM
C=CCC[C@@H](CO)NC(=O)[C@](C)(C#N)CC(=O)[O-]	ZINC001588457237	958446269	/nfs/dbraw/zinc/44/62/69/958446269.db2.gz	RDGWPYQQSJBJKU-CABZTGNLSA-N	-1	0	254.286	0.434	20	30		CCEDRM
C=CCCCn1nnnc1N1CC[C@@H](C(=O)[O-])C1	ZINC001588459843	958470135	/nfs/dbraw/zinc/47/01/35/958470135.db2.gz	HPAQVZGTYSAOIX-SECBINFHSA-N	-1	0	251.290	0.550	20	30		CCEDRM
C=CCCn1cc(C[N@H+]2CC[C@@](COC)(C(=O)[O-])C2)nn1	ZINC001588460441	958474511	/nfs/dbraw/zinc/47/45/11/958474511.db2.gz	HDRGHEDEKBSZIM-CQSZACIVSA-N	-1	0	294.355	0.777	20	30		CCEDRM
C#CCN1CCC[C@H](NC(=O)NCC2(C(=O)[O-])CCC2)C1	ZINC001573327355	958487836	/nfs/dbraw/zinc/48/78/36/958487836.db2.gz	LMRPGMTVILWODL-LBPRGKRZSA-N	-1	0	293.367	0.638	20	30		CCEDRM
C=CCN1CC[C@@H](N(C)C(=O)[C@@H]2CC[C@@H]2C(=O)[O-])C1=O	ZINC001588464340	958492085	/nfs/dbraw/zinc/49/20/85/958492085.db2.gz	NFVWCQLDEWVEMW-OUAUKWLOSA-N	-1	0	280.324	0.343	20	30		CCEDRM
C=CCOC[C@@H]1NC(=O)N(C[C@@H](CC)C(=O)[O-])C1=O	ZINC001588465058	958495218	/nfs/dbraw/zinc/49/52/18/958495218.db2.gz	FUSWSXXGXVZBOC-BDAKNGLRSA-N	-1	0	270.285	0.220	20	30		CCEDRM
C=CCNc1nc(C(=O)OCC(=O)C(=O)[O-])cs1	ZINC001588465304	958500212	/nfs/dbraw/zinc/50/02/12/958500212.db2.gz	ZSFPVSRUIBJGQM-UHFFFAOYSA-N	-1	0	270.266	0.552	20	30		CCEDRM
C=CCNC(=O)CNC(=O)c1coc(/C=C\C(=O)[O-])c1	ZINC001588465551	958505251	/nfs/dbraw/zinc/50/52/51/958505251.db2.gz	SHRXNBZLJVIBRV-ARJAWSKDSA-N	-1	0	278.264	0.409	20	30		CCEDRM
C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H](C(=O)[O-])c1ccnn1C	ZINC001588478357	958565249	/nfs/dbraw/zinc/56/52/49/958565249.db2.gz	IJUIXKZTNGPFOX-DVVUODLYSA-N	-1	0	279.296	0.253	20	30		CCEDRM
CC#CC[C@@H](CO)NC(=O)c1ccc(C(=O)[O-])cc1	ZINC001588478544	958568633	/nfs/dbraw/zinc/56/86/33/958568633.db2.gz	FUFPVNNOKOCGNV-LBPRGKRZSA-N	-1	0	261.277	0.889	20	30		CCEDRM
CC#CCN(C)C(=O)Nc1ccn(CC(=O)[O-])n1	ZINC001588479058	958577136	/nfs/dbraw/zinc/57/71/36/958577136.db2.gz	VKTHIIWFAQOZRV-UHFFFAOYSA-N	-1	0	250.258	0.455	20	30		CCEDRM
C[C@@H](C#N)C(=O)Nc1nc2n(c1C(=O)[O-])CCOC2	ZINC001573362409	958598875	/nfs/dbraw/zinc/59/88/75/958598875.db2.gz	ARKXBBORYNHCRW-LURJTMIESA-N	-1	0	264.241	0.210	20	30		CCEDRM
N#Cc1cc(F)ccc1NC(=O)NCCOCC(=O)[O-]	ZINC000126711708	958602019	/nfs/dbraw/zinc/60/20/19/958602019.db2.gz	LJOSRPDZWFVKLC-UHFFFAOYSA-N	-1	0	281.243	0.920	20	30		CCEDRM
CC(C)(C)[C@H](C(=O)[O-])C(=O)Nc1n[nH]cc1C#N	ZINC001573390292	958690845	/nfs/dbraw/zinc/69/08/45/958690845.db2.gz	JEYBPVCIIGLQSX-ZETCQYMHSA-N	-1	0	250.258	0.967	20	30		CCEDRM
N#Cc1ccc(NCCn2cc(C(=O)[O-])nn2)cn1	ZINC000129130840	958692735	/nfs/dbraw/zinc/69/27/35/958692735.db2.gz	MALSBNWQQSUVDZ-UHFFFAOYSA-N	-1	0	258.241	0.355	20	30		CCEDRM
C#CCNCC(=O)Nc1ccc(CCC(=O)[O-])cc1	ZINC000134679103	958846587	/nfs/dbraw/zinc/84/65/87/958846587.db2.gz	TZHXJTMBKDDQDQ-UHFFFAOYSA-N	-1	0	260.293	0.865	20	30		CCEDRM
COc1ncc(NC(=O)[C@]2(C(=O)[O-])CCCO2)cc1C#N	ZINC001594160670	958884285	/nfs/dbraw/zinc/88/42/85/958884285.db2.gz	VMCCYJOPKZWCMU-ZDUSSCGKSA-N	-1	0	291.263	0.534	20	30		CCEDRM
C[C@](C#N)(CC(=O)[O-])C(=O)N1CC(=O)N(CC2CC2)C1	ZINC001588535813	958930066	/nfs/dbraw/zinc/93/00/66/958930066.db2.gz	QPAPPPCNODHEGY-CYBMUJFWSA-N	-1	0	279.296	0.029	20	30		CCEDRM
C[C@](C#N)(CC(=O)[O-])C(=O)N[C@H]1CCc2cncn2C1	ZINC001588538492	958941370	/nfs/dbraw/zinc/94/13/70/958941370.db2.gz	IUCLVVZJDVJIJS-TVQRCGJNSA-N	-1	0	276.296	0.319	20	30		CCEDRM
C[C@@](C#N)(CC(=O)[O-])C(=O)N1CCO[C@@H](C2CC2)C1	ZINC001588539037	958950162	/nfs/dbraw/zinc/95/01/62/958950162.db2.gz	UPQZWFKEPRMPQC-MFKMUULPSA-N	-1	0	266.297	0.628	20	30		CCEDRM
C[C@@](C#N)(CC(=O)[O-])C(=O)OCCO[C@@H]1CCOC1	ZINC001588540233	958960655	/nfs/dbraw/zinc/96/06/55/958960655.db2.gz	SZLPVKBIBQZVTB-SKDRFNHKSA-N	-1	0	271.269	0.340	20	30		CCEDRM
C[C@@H](C#N)OCCOC(=O)[C@]1(C(=O)[O-])CC1(C)C	ZINC001588543655	958982129	/nfs/dbraw/zinc/98/21/29/958982129.db2.gz	PCHONVLJQKLKBN-QPUJVOFHSA-N	-1	0	255.270	0.959	20	30		CCEDRM
C[C@@H](C#N)CNC(=O)C1(CC(=O)[O-])CCOCC1	ZINC001588543783	958983617	/nfs/dbraw/zinc/98/36/17/958983617.db2.gz	RMTPCCJBYKCBRA-VIFPVBQESA-N	-1	0	254.286	0.534	20	30		CCEDRM
C#CC[C@@H](NC(=O)Cc1noc2ccccc12)C(=O)[O-]	ZINC000149828387	959028426	/nfs/dbraw/zinc/02/84/26/959028426.db2.gz	PMSRWGOWXSGXPT-SNVBAGLBSA-N	-1	0	272.260	0.963	20	30		CCEDRM
C#CC[C@H](NS(=O)(=O)c1cccc([N+](=O)[O-])c1)C(=O)[O-]	ZINC000159566061	959118554	/nfs/dbraw/zinc/11/85/54/959118554.db2.gz	RCRAPNZHFOULJF-JTQLQIEISA-N	-1	0	298.276	0.350	20	30		CCEDRM
C[C@@H](C(=O)[O-])C(=O)N1CCC2(CC1)CC(=O)C=CO2	ZINC001588564609	959125225	/nfs/dbraw/zinc/12/52/25/959125225.db2.gz	JXXGXIULNSLDPV-SECBINFHSA-N	-1	0	267.281	0.571	20	30		CCEDRM
Cc1cnn([C@@H]2CCN(C(=O)[C@](C)(C#N)CC(=O)[O-])C2)c1	ZINC001594434689	959216478	/nfs/dbraw/zinc/21/64/78/959216478.db2.gz	ORCURDQOVXMFRK-RISCZKNCSA-N	-1	0	290.323	0.970	20	30		CCEDRM
C=CC[C@@H](C)NC(=O)NCCn1cc(C(=O)[O-])nn1	ZINC000163135570	959226468	/nfs/dbraw/zinc/22/64/68/959226468.db2.gz	GALPVYQBRXCQLN-MRVPVSSYSA-N	-1	0	267.289	0.240	20	30		CCEDRM
C[C@@H](C(=O)[O-])C(=O)OCC(=O)Nc1ccc(CC#N)cc1	ZINC001588579987	959245232	/nfs/dbraw/zinc/24/52/32/959245232.db2.gz	HFZLJYBWJXBGNK-VIFPVBQESA-N	-1	0	290.275	0.955	20	30		CCEDRM
N#Cc1ccc(C(=O)NCC2(C(=O)[O-])CCOCC2)nc1	ZINC000165941774	959296806	/nfs/dbraw/zinc/29/68/06/959296806.db2.gz	ZFASHZLDDUTTGW-UHFFFAOYSA-N	-1	0	289.291	0.564	20	30		CCEDRM
Cc1nc(C#N)cc(NCCOCCOCC(=O)[O-])n1	ZINC001594445316	959323448	/nfs/dbraw/zinc/32/34/48/959323448.db2.gz	SUGSWEINRHZEAI-UHFFFAOYSA-N	-1	0	280.284	0.186	20	30		CCEDRM
N#CCc1ccc(S(=O)(=O)NCC2(C(=O)[O-])CC2)cc1	ZINC000167003957	959330098	/nfs/dbraw/zinc/33/00/98/959330098.db2.gz	MQUJRLAAPQQBMJ-UHFFFAOYSA-N	-1	0	294.332	0.896	20	30		CCEDRM
C[C@@H](Cn1c(=O)c(C#N)cn(CC(=O)[O-])c1=O)C(C)(C)C	ZINC001573611350	959481852	/nfs/dbraw/zinc/48/18/52/959481852.db2.gz	SKBOKQZFXSACAO-VIFPVBQESA-N	-1	0	293.323	0.648	20	30		CCEDRM
CC(C)(C(=O)[O-])C(=O)OCC(=O)NC1(C#N)CCCCC1	ZINC001588618435	959529598	/nfs/dbraw/zinc/52/95/98/959529598.db2.gz	JUWSRGMPSSHXBG-UHFFFAOYSA-N	-1	0	296.323	0.983	20	30		CCEDRM
Cc1[nH]c(C#N)cc1C(=O)OCc1cn(CC(=O)[O-])nn1	ZINC001594247226	959587253	/nfs/dbraw/zinc/58/72/53/959587253.db2.gz	BMGFISYWYLFUJP-UHFFFAOYSA-N	-1	0	289.251	0.228	20	30		CCEDRM
Cc1c(CN(C)C(=O)[C@](C)(C#N)CC(=O)[O-])cnn1C	ZINC001594262098	959702521	/nfs/dbraw/zinc/70/25/21/959702521.db2.gz	UETSMCNADQWTGS-ZDUSSCGKSA-N	-1	0	278.312	0.692	20	30		CCEDRM
C#CC[C@@H](NC(=O)c1ccc(O)cc1F)C(=O)[O-]	ZINC000232380271	960264245	/nfs/dbraw/zinc/26/42/45/960264245.db2.gz	UNSXNKHBFXIRSL-SNVBAGLBSA-N	-1	0	251.213	0.738	20	30		CCEDRM
COc1cc(CN2C[C@@H](O)C[C@@H]2C(=O)[O-])ccc1C#N	ZINC000235007878	960381047	/nfs/dbraw/zinc/38/10/47/960381047.db2.gz	KYGDBPZELBZKIU-NWDGAFQWSA-N	-1	0	276.292	0.587	20	30		CCEDRM
N#Cc1ccc(CC(=O)N2CCC[C@@H]3C[C@@]32C(=O)[O-])cn1	ZINC001571026921	960445162	/nfs/dbraw/zinc/44/51/62/960445162.db2.gz	RKOOHABYEFSRPD-ABAIWWIYSA-N	-1	0	285.303	0.961	20	30		CCEDRM
N#C[C@H]1CSCCN1C(=O)[C@H]1CC[C@@H](C(=O)[O-])C1	ZINC001574240956	960462040	/nfs/dbraw/zinc/46/20/40/960462040.db2.gz	CATAQAXREGPUNJ-AEJSXWLSSA-N	-1	0	268.338	0.955	20	30		CCEDRM
N#Cc1ccc(CNC(=O)[C@H]2CC[C@H]2C(=O)[O-])nc1	ZINC001574245723	960489647	/nfs/dbraw/zinc/48/96/47/960489647.db2.gz	YXWURABEZPOWNP-WDEREUQCSA-N	-1	0	259.265	0.680	20	30		CCEDRM
N#Cc1cncc(CNC(=O)[C@H]2CC[C@H]2C(=O)[O-])c1	ZINC001574248069	960494775	/nfs/dbraw/zinc/49/47/75/960494775.db2.gz	BNHXXGZMIAZUCR-WDEREUQCSA-N	-1	0	259.265	0.680	20	30		CCEDRM
N#Cc1ccc(S(=O)(=O)N2CCC[C@H](C(=O)[O-])C2)nc1	ZINC001574250210	960506479	/nfs/dbraw/zinc/50/64/79/960506479.db2.gz	VSVKNRPXULGEEL-JTQLQIEISA-N	-1	0	295.320	0.439	20	30		CCEDRM
N#CC1(C(=O)N[C@@H](Cc2c[nH]cn2)C(=O)[O-])CC2(CC2)C1	ZINC001571034830	960512615	/nfs/dbraw/zinc/51/26/15/960512615.db2.gz	XAAQSFVMKAYSOR-JTQLQIEISA-N	-1	0	288.307	0.606	20	30		CCEDRM
N#CC1(C(=O)[O-])CCN(C(=O)NCc2ccccn2)CC1	ZINC001571034859	960515032	/nfs/dbraw/zinc/51/50/32/960515032.db2.gz	YHHATSUULOKCNV-UHFFFAOYSA-N	-1	0	288.307	0.982	20	30		CCEDRM
Cc1cc(C#N)cnc1C(=O)N1C[C@@H](C)O[C@H](C(=O)[O-])C1	ZINC001571036281	960537904	/nfs/dbraw/zinc/53/79/04/960537904.db2.gz	XKHCUEGYGBUWEU-KOLCDFICSA-N	-1	0	289.291	0.576	20	30		CCEDRM
COC[C@H](C)S(=O)(=O)N1CCC(C#N)(C(=O)[O-])CC1	ZINC001571037903	960548243	/nfs/dbraw/zinc/54/82/43/960548243.db2.gz	DMJPBRJWHWUFOK-VIFPVBQESA-N	-1	0	290.341	0.041	20	30		CCEDRM
N#Cc1ncccc1S(=O)(=O)N(CC(=O)[O-])C1CC1	ZINC000236420790	960573247	/nfs/dbraw/zinc/57/32/47/960573247.db2.gz	LJSRWPCDXHSRHN-UHFFFAOYSA-N	-1	0	281.293	0.191	20	30		CCEDRM
Cc1cc(C#N)cnc1C(=O)Nc1n[nH]cc1C(=O)[O-]	ZINC001574307571	960750438	/nfs/dbraw/zinc/75/04/38/960750438.db2.gz	BFGVDKNQRSZSGQ-UHFFFAOYSA-N	-1	0	271.236	0.935	20	30		CCEDRM
CN(CCC#N)C(=O)C(=O)Nc1cncc(C(=O)[O-])c1	ZINC001604126571	972531452	/nfs/dbraw/zinc/53/14/52/972531452.db2.gz	CFKCEMINEGDKOM-UHFFFAOYSA-N	-1	0	276.252	0.090	20	30		CCEDRM
CC[C@@H](CNC(=O)CNc1ccc(C#N)cn1)C(=O)[O-]	ZINC001573795972	960776151	/nfs/dbraw/zinc/77/61/51/960776151.db2.gz	SFNLZSNHJMYKOG-JTQLQIEISA-N	-1	0	276.296	0.592	20	30		CCEDRM
Cc1cc(NC(=O)[C@@H]2CC(C(=O)[O-])=NO2)n(CCC#N)n1	ZINC001574337856	960913510	/nfs/dbraw/zinc/91/35/10/960913510.db2.gz	MMIHHDGCGLEXOT-VIFPVBQESA-N	-1	0	291.267	0.273	20	30		CCEDRM
Cc1cc(NC(=O)N[C@@]2(C(=O)[O-])CCOC2)ncc1C#N	ZINC001574338295	960924140	/nfs/dbraw/zinc/92/41/40/960924140.db2.gz	LYMABAWMFPPTSU-ZDUSSCGKSA-N	-1	0	290.279	0.627	20	30		CCEDRM
Cc1nc(N2C[C@H]3COC[C@@]3(C(=O)[O-])C2)ccc1C#N	ZINC001574421678	961348225	/nfs/dbraw/zinc/34/82/25/961348225.db2.gz	NIHWYYWRKJCONU-FZMZJTMJSA-N	-1	0	273.292	0.799	20	30		CCEDRM
Cn1nc(C(=O)[O-])cc1C(=O)Nc1ccn(CCC#N)n1	ZINC001574467166	961581195	/nfs/dbraw/zinc/58/11/95/961581195.db2.gz	UFRZTYWAYSFGAB-UHFFFAOYSA-N	-1	0	288.267	0.481	20	30		CCEDRM
N#C[C@H]1C[C@H]1C(=O)N(CC(=O)[O-])c1ccc2c(c1)OCO2	ZINC001574479081	961647523	/nfs/dbraw/zinc/64/75/23/961647523.db2.gz	CMTCIOVZHDGGOO-PSASIEDQSA-N	-1	0	288.259	0.993	20	30		CCEDRM
N#Cc1cc(C(=O)N[C@]2(C(=O)[O-])CCOC2)co1	ZINC001574479151	961648652	/nfs/dbraw/zinc/64/86/52/961648652.db2.gz	FEVVDYOTEHEXTJ-LLVKDONJSA-N	-1	0	250.210	0.125	20	30		CCEDRM
N#Cc1c(NC(=O)[C@@H]2CC[C@H]2C(=O)[O-])nc2n1CCS2	ZINC001574479283	961649165	/nfs/dbraw/zinc/64/91/65/961649165.db2.gz	HGJIBMFJLZOHTE-RNFRBKRXSA-N	-1	0	292.320	0.910	20	30		CCEDRM
N#CC1CCC(CNC(=O)[C@@H]2CC(C(=O)[O-])=NO2)CC1	ZINC001574481001	961668242	/nfs/dbraw/zinc/66/82/42/961668242.db2.gz	SLGDQFLKVMFULV-AMUVOQDHSA-N	-1	0	279.296	0.662	20	30		CCEDRM
N#Cc1ccc(C(=O)Nc2n[nH]cc2C(=O)[O-])cn1	ZINC001574485453	961675813	/nfs/dbraw/zinc/67/58/13/961675813.db2.gz	GUOSAANHELRWIO-UHFFFAOYSA-N	-1	0	257.209	0.627	20	30		CCEDRM
CC(C)[C@H](CNS(=O)(=O)c1ccc(C#N)cn1)C(=O)[O-]	ZINC001588831050	961720696	/nfs/dbraw/zinc/72/06/96/961720696.db2.gz	CAEHMMABABNIQA-JTQLQIEISA-N	-1	0	297.336	0.588	20	30		CCEDRM
C[N@H+](CCCC(=O)[O-])Cc1cc(=O)n2[n-]cc(C#N)c2n1	ZINC001574007888	961909356	/nfs/dbraw/zinc/90/93/56/961909356.db2.gz	NMMZWKFLLBQQSC-UHFFFAOYSA-N	-1	0	289.295	0.603	20	30		CCEDRM
COc1ncc(NC(=O)NCCC(=O)[O-])cc1C#N	ZINC001574053890	962159338	/nfs/dbraw/zinc/15/93/38/962159338.db2.gz	HVCWRGNLOZKUSV-UHFFFAOYSA-N	-1	0	264.241	0.558	20	30		CCEDRM
COC(=O)CCN(CC(=O)[O-])C(=O)c1cc(C#N)ccn1	ZINC001574055984	962181555	/nfs/dbraw/zinc/18/15/55/962181555.db2.gz	GCNYIBYCGDDSLS-UHFFFAOYSA-N	-1	0	291.263	0.043	20	30		CCEDRM
CC(C)N(CC(=O)[O-])C(=O)c1cccc(C#CCO)c1	ZINC001588917715	962349506	/nfs/dbraw/zinc/34/95/06/962349506.db2.gz	PDYZPUAQQHVUAC-UHFFFAOYSA-N	-1	0	275.304	0.966	20	30		CCEDRM
C#CCN(C1CC1)S(=O)(=O)c1cccnc1C(=O)[O-]	ZINC001573301867	962638300	/nfs/dbraw/zinc/63/83/00/962638300.db2.gz	LAMDPWQATYQMEY-UHFFFAOYSA-N	-1	0	280.305	0.566	20	30		CCEDRM
C#CC[C@@H](NC(=O)c1cc([N+](=O)[O-])c(F)cc1N)C(=O)[O-]	ZINC001573302350	962650190	/nfs/dbraw/zinc/65/01/90/962650190.db2.gz	ASLCURYFLYMOBA-SECBINFHSA-N	-1	0	295.226	0.522	20	30		CCEDRM
C#C[C@H](NC(=O)N[C@H]1C[C@@H]2C[C@]2(C(=O)[O-])C1)[C@H]1CCCO1	ZINC001573302545	962654952	/nfs/dbraw/zinc/65/49/52/962654952.db2.gz	NYOSGTZUAYVFDV-KYSMWIMPSA-N	-1	0	292.335	0.720	20	30		CCEDRM
C#CC[C@@H](NC(=O)c1c2nc[nH]c2ccc1F)C(=O)[O-]	ZINC001573303520	962678940	/nfs/dbraw/zinc/67/89/40/962678940.db2.gz	YONIDFLIBJTVBK-SECBINFHSA-N	-1	0	275.239	0.908	20	30		CCEDRM
C#CCOCCNC(=O)[C@H]1CC[C@@H](CCC(=O)[O-])O1	ZINC001573311235	962696859	/nfs/dbraw/zinc/69/68/59/962696859.db2.gz	KHYPMHPFSJNTBL-WDEREUQCSA-N	-1	0	269.297	0.165	20	30		CCEDRM
C[C@H](C(=O)[O-])N(C1CC1)S(=O)(=O)N(C)[C@@H](C)CC#N	ZINC001588987711	962763399	/nfs/dbraw/zinc/76/33/99/962763399.db2.gz	BTHBQIIEILOFIY-DTWKUNHWSA-N	-1	0	289.357	0.403	20	30		CCEDRM
C#CC[C@@H](NS(=O)(=O)CCCCC#N)C(=O)[O-]	ZINC000274958114	962810913	/nfs/dbraw/zinc/81/09/13/962810913.db2.gz	HHTLQRVCYRHGCY-SECBINFHSA-N	-1	0	258.299	0.076	20	30		CCEDRM
C=C(CCC(=O)[O-])C(=O)N1CC[C@@H](C2OCCO2)C1	ZINC001573331944	962820100	/nfs/dbraw/zinc/82/01/00/962820100.db2.gz	FDKPOOMPPVNLTB-SNVBAGLBSA-N	-1	0	269.297	0.629	20	30		CCEDRM
C=C(Cl)CN(C)CCCN(C)C(=O)CNC(=O)[O-]	ZINC001573339732	962894961	/nfs/dbraw/zinc/89/49/61/962894961.db2.gz	XDNRDHLHCICHKD-UHFFFAOYSA-N	-1	0	277.752	0.787	20	30		CCEDRM
C=C1CC(C)(C(=O)N[C@H](C)CNC(=O)CNC(=O)[O-])C1	ZINC001573343182	962901979	/nfs/dbraw/zinc/90/19/79/962901979.db2.gz	BAPLUBNWXFNSOI-SECBINFHSA-N	-1	0	283.328	0.231	20	30		CCEDRM
C=C[C@](C)(O)CC(=O)N[C@H]1C[C@H]2C[C@H](C(=O)[O-])C[C@H]21	ZINC001573346509	962938411	/nfs/dbraw/zinc/93/84/11/962938411.db2.gz	BFQNIRYQOIGPPC-TUYISWAISA-N	-1	0	267.325	0.929	20	30		CCEDRM
C=C[C@@H](C)[C@H](C)C(=O)NC1(CNC(=O)CNC(=O)[O-])CC1	ZINC001573346629	962942076	/nfs/dbraw/zinc/94/20/76/962942076.db2.gz	FHNSFEDGSLMEAE-ZJUUUORDSA-N	-1	0	297.355	0.477	20	30		CCEDRM
C=C[C@H](CC)CC(=O)NC[C@H](C)N(C)C(=O)CNC(=O)[O-]	ZINC001573346951	962943537	/nfs/dbraw/zinc/94/35/37/962943537.db2.gz	IBEFENMMTXNHEC-WDEREUQCSA-N	-1	0	299.371	0.819	20	30		CCEDRM
C=C[C@@](C)(O)CC(=O)N[C@]1(CC(=O)[O-])CCCOC1	ZINC001573347794	962951025	/nfs/dbraw/zinc/95/10/25/962951025.db2.gz	OFADYRRJUSMYRH-OLZOCXBDSA-N	-1	0	271.313	0.454	20	30		CCEDRM
C=CCCC(=O)NC[C@@H]1CCN(C(=O)CNC(=O)[O-])C1	ZINC001573352824	962993753	/nfs/dbraw/zinc/99/37/53/962993753.db2.gz	KQZVSQVOUPQLOX-JTQLQIEISA-N	-1	0	283.328	0.185	20	30		CCEDRM
C=CCCC(=O)N1CC[C@@H](N(C)C(=O)CNC(=O)[O-])C1	ZINC001573353372	963001220	/nfs/dbraw/zinc/00/12/20/963001220.db2.gz	UDCPCGBCSTWADY-SNVBAGLBSA-N	-1	0	283.328	0.280	20	30		CCEDRM
C=CCCC(=O)N1CC[C@@H](N(CC)C(=O)CNC(=O)[O-])C1	ZINC001573353560	963003429	/nfs/dbraw/zinc/00/34/29/963003429.db2.gz	YUHVUUMFMWJDBI-LLVKDONJSA-N	-1	0	297.355	0.670	20	30		CCEDRM
C=CCCCNS(=O)(=O)N1CCC(C(=O)[O-])CC1	ZINC000302307150	963072404	/nfs/dbraw/zinc/07/24/04/963072404.db2.gz	CCEZNXWNUQWQHG-UHFFFAOYSA-N	-1	0	276.358	0.584	20	30		CCEDRM
Cc1cc(C(=O)N[C@H]2CC[C@H]2C(=O)[O-])ncc1C#N	ZINC001570980368	963084107	/nfs/dbraw/zinc/08/41/07/963084107.db2.gz	QQAUGRBMOUGDLH-ZJUUUORDSA-N	-1	0	259.265	0.855	20	30		CCEDRM
C#CC[C@@H](NS(=O)(=O)CCC1CCC1)C(=O)[O-]	ZINC000304494435	963147071	/nfs/dbraw/zinc/14/70/71/963147071.db2.gz	PQIMXQFXQQBJKW-SNVBAGLBSA-N	-1	0	259.327	0.573	20	30		CCEDRM
N#Cc1cccc(NC(=O)N2CC[C@@](O)(C(=O)[O-])C2)n1	ZINC001571005168	963236911	/nfs/dbraw/zinc/23/69/11/963236911.db2.gz	FMXHHGRGRMDMSW-LBPRGKRZSA-N	-1	0	276.252	0.007	20	30		CCEDRM
N#Cc1csc(CNC(=O)N[C@H]2C[C@@H](C(=O)[O-])C2)n1	ZINC001571013860	963305514	/nfs/dbraw/zinc/30/55/14/963305514.db2.gz	RMZCWTQOOXBDJO-KNVOCYPGSA-N	-1	0	280.309	0.677	20	30		CCEDRM
C=C(CC)CNC(=O)NCCn1cc(C(=O)[O-])nn1	ZINC000313497445	963648437	/nfs/dbraw/zinc/64/84/37/963648437.db2.gz	KRPILXNGDWJUAL-UHFFFAOYSA-N	-1	0	267.289	0.242	20	30		CCEDRM
C=C(C)C[C@@H](NC(C)=O)C(=O)NCCCC(=O)[O-]	ZINC001588441864	964053788	/nfs/dbraw/zinc/05/37/88/964053788.db2.gz	MMQAQZXLVBBBDS-SNVBAGLBSA-N	-1	0	256.302	0.438	20	30		CCEDRM
C#CCCCNC(=O)C(=O)N1C[C@H](C)[C@@](C)(C(=O)[O-])C1	ZINC001588446577	964076568	/nfs/dbraw/zinc/07/65/68/964076568.db2.gz	QBYVOQZKMZJDTH-HZMBPMFUSA-N	-1	0	280.324	0.085	20	30		CCEDRM
C#CCCN(CCOC)S(=O)(=O)CC(C)(C)C(=O)[O-]	ZINC001588447279	964084138	/nfs/dbraw/zinc/08/41/38/964084138.db2.gz	FZIHJVNPWOALIA-UHFFFAOYSA-N	-1	0	291.369	0.399	20	30		CCEDRM
C#Cc1cccc(NC(=O)NC[C@@](C)(O)C(=O)[O-])c1	ZINC000090277172	967589539	/nfs/dbraw/zinc/58/95/39/967589539.db2.gz	CECRLQGLUBPYFN-CYBMUJFWSA-N	-1	0	262.265	0.625	20	30		CCEDRM
C#CCN(CC(=O)[O-])C(=O)[C@H](C)Oc1ccc(C#N)cc1	ZINC000092477103	967593946	/nfs/dbraw/zinc/59/39/46/967593946.db2.gz	DKZRDCZCKFYFNK-NSHDSACASA-N	-1	0	286.287	0.872	20	30		CCEDRM
C#CCN(CC(=O)[O-])C(=O)N[C@H]1COc2ccccc2C1	ZINC000328333256	968052251	/nfs/dbraw/zinc/05/22/51/968052251.db2.gz	JSYRFNKMUVPQLK-GFCCVEGCSA-N	-1	0	288.303	0.720	20	30		CCEDRM
C#CCN(CC(=O)[O-])C(=O)NC[C@@]1(C)CCOC1	ZINC000397208992	968251524	/nfs/dbraw/zinc/25/15/24/968251524.db2.gz	VZBNXNQCRDNIPM-GFCCVEGCSA-N	-1	0	254.286	0.142	20	30		CCEDRM
C=C[C@@H]1OCC[C@H]1C(=O)N1CC[C@@](C)(C(=O)[O-])C1	ZINC001609636904	970430941	/nfs/dbraw/zinc/43/09/41/970430941.db2.gz	SRNOCRPZQMUARE-GBIKHYSHSA-N	-1	0	253.298	0.901	20	30		CCEDRM
CC(=O)NCCN(C(=O)C#CC(C)(C)C)[C@H](C)C(=O)[O-]	ZINC001609663148	970438679	/nfs/dbraw/zinc/43/86/79/970438679.db2.gz	WNGBTOLZSBOETQ-SNVBAGLBSA-N	-1	0	282.340	0.474	20	30		CCEDRM
C[C@](C#N)(CC(=O)[O-])C(=O)N[C@@H](CO)C1CCCC1	ZINC001609691358	970447964	/nfs/dbraw/zinc/44/79/64/970447964.db2.gz	KVYNWXVCYITBLZ-GXFFZTMASA-N	-1	0	268.313	0.658	20	30		CCEDRM
C[C@](C#N)(CC(=O)[O-])C(=O)N[C@@H]1CCOC1(C)C	ZINC001609692909	970451425	/nfs/dbraw/zinc/45/14/25/970451425.db2.gz	DXXRIOPUFYPXCX-PRHODGIISA-N	-1	0	254.286	0.675	20	30		CCEDRM
C[C@H](CC(=O)[O-])NC(=O)C(=O)Nc1cccc(C#N)c1	ZINC001609865146	970556796	/nfs/dbraw/zinc/55/67/96/970556796.db2.gz	SDQRRPGTTVXCKT-MRVPVSSYSA-N	-1	0	275.264	0.476	20	30		CCEDRM
C=CCC[C@H](CO)NS(=O)(=O)c1ccc(C(=O)[O-])cc1	ZINC000320077160	970610357	/nfs/dbraw/zinc/61/03/57/970610357.db2.gz	BAXCNFMVGJHFBV-LLVKDONJSA-N	-1	0	299.348	0.990	20	30		CCEDRM
C[C@@H]1[C@@H](CO)CCCN1C(=O)[C@](C)(C#N)CC(=O)[O-]	ZINC001610068296	970654567	/nfs/dbraw/zinc/65/45/67/970654567.db2.gz	QBEMNDDMJMAIHE-BREBYQMCSA-N	-1	0	268.313	0.610	20	30		CCEDRM
CC[C@@H](OC(=O)[C@@](C)(C#N)CC(=O)[O-])C(=O)OC	ZINC001610152209	970686604	/nfs/dbraw/zinc/68/66/04/970686604.db2.gz	SRMRRTCNGVUAJI-RDDDGLTNSA-N	-1	0	257.242	0.486	20	30		CCEDRM
C[C@@]1(C#N)CCN(C(=O)[C@@H]2CCCN(CC(=O)[O-])C2=O)C1	ZINC001603290951	972550286	/nfs/dbraw/zinc/55/02/86/972550286.db2.gz	ZZQNIDFOCBOXRI-YGRLFVJLSA-N	-1	0	293.323	0.072	20	30		CCEDRM
C[C@@H](NC(=O)C(=O)Nc1ccc(C#N)c(F)c1)C(=O)[O-]	ZINC001604982782	972574088	/nfs/dbraw/zinc/57/40/88/972574088.db2.gz	DUPHNVOMTANXRJ-ZCFIWIBFSA-N	-1	0	279.227	0.225	20	30		CCEDRM
C=CC[C@@H](CC)NC(=O)NCCn1cc(C(=O)[O-])nn1	ZINC000393757722	972637134	/nfs/dbraw/zinc/63/71/34/972637134.db2.gz	IVLBNALEECVYOP-SECBINFHSA-N	-1	0	281.316	0.630	20	30		CCEDRM
C[C@@](C#N)(CC(=O)[O-])C(=O)NC[C@@H]1CC(C)(C)CO1	ZINC001603334169	972701377	/nfs/dbraw/zinc/70/13/77/972701377.db2.gz	NIDXTPZOEKEIFI-ZANVPECISA-N	-1	0	268.313	0.922	20	30		CCEDRM
CCC(F)(F)Cn1c(=O)c(C#N)cn(CC(=O)[O-])c1=O	ZINC001603575486	973722384	/nfs/dbraw/zinc/72/23/84/973722384.db2.gz	QICGLKFDLNZSEG-UHFFFAOYSA-N	-1	0	287.222	0.012	20	30		CCEDRM
CON(C(=O)c1ccc(C#N)n1C)[C@@H](C)C(=O)[O-]	ZINC001604660640	973821527	/nfs/dbraw/zinc/82/15/27/973821527.db2.gz	DCHSDCLJYJDCIC-ZETCQYMHSA-N	-1	0	251.242	0.373	20	30		CCEDRM
N#C[C@@H](NC(=O)C1(CC(=O)[O-])CCOCC1)C1CC1	ZINC001605576293	973846669	/nfs/dbraw/zinc/84/66/69/973846669.db2.gz	LRBSXMOOIRHYQZ-SNVBAGLBSA-N	-1	0	266.297	0.676	20	30		CCEDRM
N#C[C@@H](NC(=O)c1cnc(C(=O)[O-])cn1)C1CCCC1	ZINC001605576356	973846773	/nfs/dbraw/zinc/84/67/73/973846773.db2.gz	LZTJQJGFHLVFLO-SECBINFHSA-N	-1	0	274.280	0.987	20	30		CCEDRM
N#CC1(C[C@H](O)CN2CCOC[C@H]2C(=O)[O-])CCC1	ZINC001605576665	973851108	/nfs/dbraw/zinc/85/11/08/973851108.db2.gz	QGYZQYQGFDRCOU-QWRGUYRKSA-N	-1	0	268.313	0.217	20	30		CCEDRM
N#CCCCC(=O)O[C@@H]1CCCCN(CC(=O)[O-])C1=O	ZINC001605581597	973858600	/nfs/dbraw/zinc/85/86/00/973858600.db2.gz	DADHUNQAOREFGS-SNVBAGLBSA-N	-1	0	282.296	0.689	20	30		CCEDRM
N#CC[C@]1(O)CCN(C(=O)[C@]2(C(=O)[O-])CC=CCC2)C1	ZINC001605581628	973860177	/nfs/dbraw/zinc/86/01/77/973860177.db2.gz	FNPUOUAVNSNLQO-KBPBESRZSA-N	-1	0	278.308	0.675	20	30		CCEDRM
N#CCN(CN1C[C@H](C(=O)[O-])CC1=O)C1CCCC1	ZINC001605585877	973879184	/nfs/dbraw/zinc/87/91/84/973879184.db2.gz	KUAXHWRCMMCWPA-SNVBAGLBSA-N	-1	0	265.313	0.645	20	30		CCEDRM
N#Cc1ccc(CN[C@@H]2CCCCN(CC(=O)[O-])C2=O)o1	ZINC001605611147	973915075	/nfs/dbraw/zinc/91/50/75/973915075.db2.gz	ICHXPAHOMQLOGR-GFCCVEGCSA-N	-1	0	291.307	0.707	20	30		CCEDRM
N#Cc1ccc(NC(=O)CNc2ccn(CC(=O)[O-])n2)cc1	ZINC001605612057	973924186	/nfs/dbraw/zinc/92/41/86/973924186.db2.gz	GHFYDEGPEUJYFP-UHFFFAOYSA-N	-1	0	299.290	0.890	20	30		CCEDRM
N#Cc1cccc(CC(=O)N2CCOC[C@@H]2C(=O)[O-])c1	ZINC001605617505	973933119	/nfs/dbraw/zinc/93/31/19/973933119.db2.gz	IZVKWEBZCANCPF-GFCCVEGCSA-N	-1	0	274.276	0.413	20	30		CCEDRM
C[C@@H](CC(=O)[O-])CC(=O)N1CC[C@@](O)(CC#N)C1	ZINC001592374699	977902721	/nfs/dbraw/zinc/90/27/21/977902721.db2.gz	DEGCSKJUHPGBOR-SKDRFNHKSA-N	-1	0	254.286	0.364	20	30		CCEDRM
C[C@@H](CC(=O)[O-])CC(=O)Nc1nn(C)cc1C#N	ZINC001592395703	977955248	/nfs/dbraw/zinc/95/52/48/977955248.db2.gz	NDSUFZWRDKPWRT-SSDOTTSWSA-N	-1	0	250.258	0.731	20	30		CCEDRM
CC[C@H](CC#N)NS(=O)(=O)CC1(C(=O)[O-])CC1	ZINC001595029813	979161505	/nfs/dbraw/zinc/16/15/05/979161505.db2.gz	GRVAQFBVLDLGPS-MRVPVSSYSA-N	-1	0	260.315	0.463	20	30		CCEDRM
CC[C@@H](CNC(=O)[C@@H](C)C#N)Nc1ncc(C(=O)[O-])cn1	ZINC001595135060	979571121	/nfs/dbraw/zinc/57/11/21/979571121.db2.gz	ISGLCWAZFXACCY-WPRPVWTQSA-N	-1	0	291.311	0.641	20	30		CCEDRM
CCC1=C(C(=O)N(CC#N)CC(=O)[O-])CCCO1	ZINC001595399644	980972740	/nfs/dbraw/zinc/97/27/40/980972740.db2.gz	VCDPDPKQRZWNTK-UHFFFAOYSA-N	-1	0	252.270	0.898	20	30		CCEDRM
CCC[C@@H](C#N)NS(=O)(=O)c1cncc(C(=O)[O-])c1	ZINC001595533221	981375253	/nfs/dbraw/zinc/37/52/53/981375253.db2.gz	UYWHXYLPNZLTEC-VIFPVBQESA-N	-1	0	283.309	0.750	20	30		CCEDRM
CCCCCC[C@@](O)(CN1CCO[C@H](C#N)C1)C(=O)[O-]	ZINC001595696571	982230887	/nfs/dbraw/zinc/23/08/87/982230887.db2.gz	JTSVLUBHDNQIPM-TZMCWYRMSA-N	-1	0	284.356	0.997	20	30		CCEDRM
CC[C@H](C)[C@@H](NC(=O)CN1CCO[C@](C)(C#N)C1)C(=O)[O-]	ZINC001594892653	982297986	/nfs/dbraw/zinc/29/79/86/982297986.db2.gz	CHHLMCXQIOFGOR-ZKYQVNSYSA-N	-1	0	297.355	0.216	20	30		CCEDRM
CC[C@@H](C)[C@@H](NC(=O)COC(=O)CC1(C#N)CC1)C(=O)[O-]	ZINC001594898381	982347537	/nfs/dbraw/zinc/34/75/37/982347537.db2.gz	VSDGILGOWYEPQJ-BXKDBHETSA-N	-1	0	296.323	0.839	20	30		CCEDRM
CC#CCCNC(=O)[C@H](CC(=O)[O-])NC(=O)OC(C)(C)C	ZINC001573496984	983048473	/nfs/dbraw/zinc/04/84/73/983048473.db2.gz	HWHXESZPSPFLSF-JTQLQIEISA-N	-1	0	298.339	0.884	20	30		CCEDRM
N#Cc1cc(C(=O)N[C@H](C[C@H]2CCCO2)C(=O)[O-])co1	ZINC001574241302	983200814	/nfs/dbraw/zinc/20/08/14/983200814.db2.gz	KJIVNCRFTJRXLX-MWLCHTKSSA-N	-1	0	278.264	0.903	20	30		CCEDRM
N#Cc1cc(CNC(=O)c2cc(C(=O)[O-])no2)ccn1	ZINC001574245417	983201243	/nfs/dbraw/zinc/20/12/43/983201243.db2.gz	OZATUBPRASMCQD-UHFFFAOYSA-N	-1	0	272.220	0.569	20	30		CCEDRM
C#C[C@@H](C)N(C)Cn1nc(C(=O)OC)cc1C(=O)[O-]	ZINC001588367743	983301195	/nfs/dbraw/zinc/30/11/95/983301195.db2.gz	BEBQCXFWTBESCX-MRVPVSSYSA-N	-1	0	265.269	0.279	20	30		CCEDRM
C#C[C@H](C)NC(=O)N[C@@H]1CCCn2nc(C(=O)[O-])cc21	ZINC001588368017	983302700	/nfs/dbraw/zinc/30/27/00/983302700.db2.gz	FMIIRVUCWZQEDS-DTWKUNHWSA-N	-1	0	276.296	0.737	20	30		CCEDRM
C#C[C@H](C)NC(=O)C(=O)Nc1ccc(C(=O)[O-])c(C)c1	ZINC001588368124	983303896	/nfs/dbraw/zinc/30/38/96/983303896.db2.gz	GVUAKZSZBCUBJP-VIFPVBQESA-N	-1	0	274.276	0.770	20	30		CCEDRM
C#C[C@H](NC(=O)Nc1nn(C)cc1C(=O)[O-])[C@@H]1CCCO1	ZINC001588373404	983338239	/nfs/dbraw/zinc/33/82/39/983338239.db2.gz	FWAWUSWWOWFDFE-UWVGGRQHSA-N	-1	0	292.295	0.421	20	30		CCEDRM
C#C[C@H](NCc1cc(C(=O)[O-])no1)[C@H]1CCCO1	ZINC001588377079	983355131	/nfs/dbraw/zinc/35/51/31/983355131.db2.gz	IUYFXFXFUBSUDF-GXSJLCMTSA-N	-1	0	250.254	0.643	20	30		CCEDRM
C#CC1(O)CN(C(=O)[C@]2(C(=O)[O-])C[C@@H]2c2ccccc2)C1	ZINC001588380018	983366886	/nfs/dbraw/zinc/36/68/86/983366886.db2.gz	XZMNWTGXKRUTBQ-WBMJQRKESA-N	-1	0	285.299	0.451	20	30		CCEDRM
C#CC1(O)CN(C(=O)c2ccc(C)c(C(=O)[O-])c2)C1	ZINC001588380057	983367222	/nfs/dbraw/zinc/36/72/22/983367222.db2.gz	ZWXLPXMGPJPMAT-UHFFFAOYSA-N	-1	0	259.261	0.513	20	30		CCEDRM
C#C[C@@H]1CCCN(C(=O)Nc2nn(C)cc2C(=O)[O-])C1	ZINC001588382539	983372149	/nfs/dbraw/zinc/37/21/49/983372149.db2.gz	BSEJSCOGGCCQNZ-SECBINFHSA-N	-1	0	276.296	0.995	20	30		CCEDRM
C#C[C@H]1CCCN(c2nnnn2[C@H]2CC=C(C(=O)[O-])C2)C1	ZINC001588382967	983376192	/nfs/dbraw/zinc/37/61/92/983376192.db2.gz	LPCBFMWCLKKFET-JQWIXIFHSA-N	-1	0	287.323	0.869	20	30		CCEDRM
C#C[C@@H]1CCCCN1C(=O)NC[C@H]1C[C@H]1C(=O)[O-]	ZINC001588383211	983378894	/nfs/dbraw/zinc/37/88/94/983378894.db2.gz	ZUGKXAMCGARZGF-GMTAPVOTSA-N	-1	0	250.298	0.904	20	30		CCEDRM
C#C[C@@H]1COCCN1C[C@@H]1CC(C(=O)[O-])=C(C)O1	ZINC001588384206	983387313	/nfs/dbraw/zinc/38/73/13/983387313.db2.gz	YYAZWNSLLMNIJH-MNOVXSKESA-N	-1	0	251.282	0.468	20	30		CCEDRM
C#CCC(CC#C)C(=O)OCC(=O)C1(C(=O)[O-])CC1	ZINC001588390535	983394679	/nfs/dbraw/zinc/39/46/79/983394679.db2.gz	XFBLDZFHQLMZRB-UHFFFAOYSA-N	-1	0	262.261	0.626	20	30		CCEDRM
C#CC[C@H](CCOC)NC(=O)Cn1ccc(C(=O)[O-])n1	ZINC001588393535	983398847	/nfs/dbraw/zinc/39/88/47/983398847.db2.gz	GXQCFWNWVXHOJW-SNVBAGLBSA-N	-1	0	279.296	0.126	20	30		CCEDRM
C#CC[C@@H](COC)NC(=O)NCC1(C(=O)[O-])CCOCC1	ZINC001588395112	983404423	/nfs/dbraw/zinc/40/44/23/983404423.db2.gz	POAOPFJUYJHCBD-NSHDSACASA-N	-1	0	298.339	0.205	20	30		CCEDRM
C#CC[C@@H](COC)OC(=O)Cn1cc(C(=O)[O-])cn1	ZINC001588395009	983404513	/nfs/dbraw/zinc/40/45/13/983404513.db2.gz	OVJKIAJNMCCPKQ-JTQLQIEISA-N	-1	0	266.253	0.163	20	30		CCEDRM
C#CC[C@H](NC(=O)[C@H](C)n1nc(C)cc1C)C(=O)[O-]	ZINC001588398566	983413175	/nfs/dbraw/zinc/41/31/75/983413175.db2.gz	LIKAJKURPVUGIW-QWRGUYRKSA-N	-1	0	263.297	0.654	20	30		CCEDRM
C#CC[C@H](NC(=O)Cc1ccc(F)cc1[N+](=O)[O-])C(=O)[O-]	ZINC001588407949	983429833	/nfs/dbraw/zinc/42/98/33/983429833.db2.gz	RZMUEGZMLHXKEQ-JTQLQIEISA-N	-1	0	294.238	0.869	20	30		CCEDRM
C#CC[C@H](NC(=O)Cn1ccc2ccccc2c1=O)C(=O)[O-]	ZINC001588408103	983430790	/nfs/dbraw/zinc/43/07/90/983430790.db2.gz	XWBKINLPZHOSLC-ZDUSSCGKSA-N	-1	0	298.298	0.594	20	30		CCEDRM
C#CC[C@H](NC(=O)c1c(C)nc2ccnn2c1C)C(=O)[O-]	ZINC001588414286	983433680	/nfs/dbraw/zinc/43/36/80/983433680.db2.gz	QDNKEQRMIQYUPG-JTQLQIEISA-N	-1	0	286.291	0.552	20	30		CCEDRM
C#CC[C@H](NC(=O)c1oc(C(=O)OC)cc1C)C(=O)[O-]	ZINC001588421433	983440981	/nfs/dbraw/zinc/44/09/81/983440981.db2.gz	IZBBBUWLDPEKSZ-QMMMGPOBSA-N	-1	0	279.248	0.581	20	30		CCEDRM
C#CC[C@@H](NS(=O)(=O)CC1CC(F)(F)C1)C(=O)[O-]	ZINC001588423528	983453008	/nfs/dbraw/zinc/45/30/08/983453008.db2.gz	KDOHATNXCQYCQI-MRVPVSSYSA-N	-1	0	281.280	0.428	20	30		CCEDRM
C#CC[C@@H](NCc1nn(C)c(C)c1Cl)C(=O)[O-]	ZINC001588424341	983455425	/nfs/dbraw/zinc/45/54/25/983455425.db2.gz	VNNSZIXIKFEAAH-MRVPVSSYSA-N	-1	0	255.705	0.948	20	30		CCEDRM
C#CCC1(NC(=O)[C@H](C)CC(=O)[O-])CCOCC1	ZINC001588428058	983459663	/nfs/dbraw/zinc/45/96/63/983459663.db2.gz	ZCRTYQFDKDGPSM-SNVBAGLBSA-N	-1	0	253.298	0.786	20	30		CCEDRM
C#CCC[C@@H](O)CNC(=O)NC[C@@H](CC(=O)[O-])C1CC1	ZINC001588434468	983470578	/nfs/dbraw/zinc/47/05/78/983470578.db2.gz	KNJGJGRHFQKKKI-VXGBXAGGSA-N	-1	0	282.340	0.561	20	30		CCEDRM
C#CCC[C@H](O)CNC(=O)Cc1ccc(C(=O)[O-])nc1	ZINC001588434606	983471303	/nfs/dbraw/zinc/47/13/03/983471303.db2.gz	OODHRHOICFUASW-NSHDSACASA-N	-1	0	276.292	0.213	20	30		CCEDRM
C#CCCS(=O)(=O)N(C1CC1)C1(C(=O)[O-])CCC1	ZINC001588459061	983484028	/nfs/dbraw/zinc/48/40/28/983484028.db2.gz	XIRPJBNVHYSUOI-UHFFFAOYSA-N	-1	0	271.338	0.811	20	30		CCEDRM
C#CCN(CC#C)CC(=O)Nc1cccc(C(=O)[O-])n1	ZINC001588464701	983493823	/nfs/dbraw/zinc/49/38/23/983493823.db2.gz	DLUITDYTUDJMQI-UHFFFAOYSA-N	-1	0	271.276	0.287	20	30		CCEDRM
C#CCN(CC#C)CC(=O)Nc1nc(CC(=O)[O-])cs1	ZINC001588464812	983494443	/nfs/dbraw/zinc/49/44/43/983494443.db2.gz	MVJCQDKZOFUTGZ-UHFFFAOYSA-N	-1	0	291.332	0.277	20	30		CCEDRM
C#CCN(CC#C)[C@@H]1CCCN(CCC(=O)[O-])C1=O	ZINC001588464980	983495337	/nfs/dbraw/zinc/49/53/37/983495337.db2.gz	ZIYXSSUUBOFJKO-GFCCVEGCSA-N	-1	0	262.309	0.021	20	30		CCEDRM
C#CCN(CC#N)S(=O)(=O)c1cnc(C)c(C(=O)[O-])c1	ZINC001588466056	983498290	/nfs/dbraw/zinc/49/82/90/983498290.db2.gz	SZBNUBUNIQHXFT-UHFFFAOYSA-N	-1	0	293.304	0.236	20	30		CCEDRM
C#CCN(CC)S(=O)(=O)c1cnc(C)c(C(=O)[O-])c1	ZINC001588468308	983500859	/nfs/dbraw/zinc/50/08/59/983500859.db2.gz	UXQYVNCJPSNXQC-UHFFFAOYSA-N	-1	0	282.321	0.732	20	30		CCEDRM
C#CCN1CCN(C(=O)C(=C)CCC(=O)[O-])CC1	ZINC001588477623	983516990	/nfs/dbraw/zinc/51/69/90/983516990.db2.gz	WVQZUWJBPDGREB-UHFFFAOYSA-N	-1	0	250.298	0.185	20	30		CCEDRM
C#CCOCCC(=O)N[C@H](CC(F)(F)F)C(=O)[O-]	ZINC001588489463	983527526	/nfs/dbraw/zinc/52/75/26/983527526.db2.gz	ALAGBGCXSZGHJK-SSDOTTSWSA-N	-1	0	267.203	0.548	20	30		CCEDRM
C#CCSCC(=O)OCC(=O)C(C)(C)C(=O)[O-]	ZINC001588506260	983551211	/nfs/dbraw/zinc/55/12/11/983551211.db2.gz	MWJCVUVPHSVWID-UHFFFAOYSA-N	-1	0	258.295	0.576	20	30		CCEDRM
C#Cc1ccc(S(=O)(=O)N[C@@H](C(=O)[O-])C2CC2)cc1	ZINC001588518174	983568535	/nfs/dbraw/zinc/56/85/35/983568535.db2.gz	TXSRTHUNHQAKFL-GFCCVEGCSA-N	-1	0	279.317	0.809	20	30		CCEDRM
C#Cc1ccccc1CC(=O)N[C@H](Cc1c[nH]cn1)C(=O)[O-]	ZINC001588528712	983577779	/nfs/dbraw/zinc/57/77/79/983577779.db2.gz	FDIJVCGBPKAIKL-CQSZACIVSA-N	-1	0	297.314	0.746	20	30		CCEDRM
C#Cc1cccnc1N1C[C@H](C(=O)[O-])[C@H](C(=O)OC)C1	ZINC001588528796	983578096	/nfs/dbraw/zinc/57/80/96/983578096.db2.gz	HJMPGNJVCZMCFL-WDEREUQCSA-N	-1	0	274.276	0.373	20	30		CCEDRM
C#Cc1cncc(C(=O)Nc2ccc(C(=O)[O-])nn2)c1	ZINC001588528921	983578919	/nfs/dbraw/zinc/57/89/19/983578919.db2.gz	IXCYAJUKGGPUOI-UHFFFAOYSA-N	-1	0	268.232	0.803	20	30		CCEDRM
C=C(C)C(C)(C)C(=O)NCCNC(=O)[C@H]1C[C@@H]1C(=O)[O-]	ZINC001588530307	983584352	/nfs/dbraw/zinc/58/43/52/983584352.db2.gz	YYJJKESJQOLRBM-UWVGGRQHSA-N	-1	0	282.340	0.542	20	30		CCEDRM
CCN(CC#N)S(=O)(=O)[C@H]1CC[C@@H](C(=O)[O-])C1	ZINC001596200331	983585161	/nfs/dbraw/zinc/58/51/61/983585161.db2.gz	VNJQCGAQPABIKX-BDAKNGLRSA-N	-1	0	260.315	0.415	20	30		CCEDRM
CCN(CC(=O)N1CCC(C(=O)[O-])CC1)[C@H](C)C#N	ZINC001596201764	983586992	/nfs/dbraw/zinc/58/69/92/983586992.db2.gz	JMEFDXRXHVQADM-SNVBAGLBSA-N	-1	0	267.329	0.544	20	30		CCEDRM
C=C(C)C[C@H](CO)NC(=O)c1cccc(C(=O)[O-])n1	ZINC001588537588	983600874	/nfs/dbraw/zinc/60/08/74/983600874.db2.gz	SWSDQIBNMNDIMN-SECBINFHSA-N	-1	0	264.281	0.837	20	30		CCEDRM
C=C(C)C[C@@H](NC(=O)CCNC(=O)OC)C(=O)[O-]	ZINC001588540221	983603116	/nfs/dbraw/zinc/60/31/16/983603116.db2.gz	CBQVSMYDXGVKNI-MRVPVSSYSA-N	-1	0	258.274	0.268	20	30		CCEDRM
C=C(C)C[C@H](NC(=O)C[C@@H]1CCOC[C@@H]1OC)C(=O)[O-]	ZINC001588540934	983606014	/nfs/dbraw/zinc/60/60/14/983606014.db2.gz	PGONOYRQDHFLKB-SRVKXCTJSA-N	-1	0	285.340	0.964	20	30		CCEDRM
C=C(C)C[C@H](NC(=O)/C=C/c1ccc(C(N)=O)o1)C(=O)[O-]	ZINC001588541115	983606331	/nfs/dbraw/zinc/60/63/31/983606331.db2.gz	SIEORVPRIMYGIM-RWCYGVJQSA-N	-1	0	292.291	0.927	20	30		CCEDRM
C=C(C)C[C@@H](NC(C)=O)C(=O)NCCSCC(=O)[O-]	ZINC001588547467	983620421	/nfs/dbraw/zinc/62/04/21/983620421.db2.gz	KFPNDVXNGMZCSS-SNVBAGLBSA-N	-1	0	288.369	0.391	20	30		CCEDRM
C=C(C)CN(CC)C(=O)C(=O)N1CCO[C@@H](CC(=O)[O-])C1	ZINC001588563120	983644207	/nfs/dbraw/zinc/64/42/07/983644207.db2.gz	MMADJHZJOUIREX-NSHDSACASA-N	-1	0	298.339	0.113	20	30		CCEDRM
C=C(C)CONC(=O)N1CCC(C#N)(C(=O)[O-])CC1	ZINC001588573532	983653006	/nfs/dbraw/zinc/65/30/06/983653006.db2.gz	PJCQHDQADNMXFS-UHFFFAOYSA-N	-1	0	267.285	0.894	20	30		CCEDRM
C=C(CCC(=O)[O-])C(=O)N(C)[C@H]1CC(C)(C)OC1=O	ZINC001588606748	983698533	/nfs/dbraw/zinc/69/85/33/983698533.db2.gz	IDASDSGIUGVFMA-VIFPVBQESA-N	-1	0	269.297	0.960	20	30		CCEDRM
C=C(CCC(=O)[O-])C(=O)N1CC[C@]2(CNC(=O)C2)C1	ZINC001588613892	983705672	/nfs/dbraw/zinc/70/56/72/983705672.db2.gz	GSAMAWOLKMFPFO-ZDUSSCGKSA-N	-1	0	266.297	0.146	20	30		CCEDRM
C=C(CCC(=O)[O-])C(=O)N1CCC[C@H]1c1nncn1C	ZINC001588614962	983709398	/nfs/dbraw/zinc/70/93/98/983709398.db2.gz	FTRZGEVPCJDCSK-JTQLQIEISA-N	-1	0	278.312	0.900	20	30		CCEDRM
C=C(CCC(=O)[O-])C(=O)N[C@H]1CCC2(C1)OCCO2	ZINC001588621392	983718850	/nfs/dbraw/zinc/71/88/50/983718850.db2.gz	CLIOVKAGAQJTNI-JTQLQIEISA-N	-1	0	269.297	0.819	20	30		CCEDRM
C=C(CCC(=O)[O-])C(=O)N[C@@H](C)c1nccc(N)n1	ZINC001588622297	983722932	/nfs/dbraw/zinc/72/29/32/983722932.db2.gz	UHGKEUBSWDGCFU-QMMMGPOBSA-N	-1	0	264.285	0.657	20	30		CCEDRM
C=C(CCC(=O)[O-])C(=O)NCCN1CCO[C@H](C)C1	ZINC001588624471	983732760	/nfs/dbraw/zinc/73/27/60/983732760.db2.gz	JUWBGMSGKWRRKH-LLVKDONJSA-N	-1	0	270.329	0.244	20	30		CCEDRM
C=C(CCC(=O)[O-])C(=O)NCCNC(=O)C(C)(C)C	ZINC001588624544	983733369	/nfs/dbraw/zinc/73/33/69/983733369.db2.gz	MNMCCKRPLVOUTI-UHFFFAOYSA-N	-1	0	270.329	0.686	20	30		CCEDRM
C=C(CCC(=O)[O-])C(=O)NC[C@H]1CCCS1(=O)=O	ZINC001588624643	983733978	/nfs/dbraw/zinc/73/39/78/983733978.db2.gz	QSHVLIFHZKIDAV-SECBINFHSA-N	-1	0	275.326	0.101	20	30		CCEDRM
C=C(CCC(=O)OC)C(=O)NC[C@H]1C[C@H]1C(=O)[O-]	ZINC001588632928	983747065	/nfs/dbraw/zinc/74/70/65/983747065.db2.gz	FLTXIFBBOSIOGB-RKDXNWHRSA-N	-1	0	255.270	0.333	20	30		CCEDRM
C=C(CO)C(=O)N[C@@H](CC(=O)[O-])c1ccc(OC)cc1	ZINC001588637213	983759364	/nfs/dbraw/zinc/75/93/64/983759364.db2.gz	KBZQXBWLUJTHAK-LBPRGKRZSA-N	-1	0	279.292	0.876	20	30		CCEDRM
C=C(Cl)C[C@@H](NC(=O)[C@@H]1C[C@@H]1C(=O)[O-])C(=O)OCC	ZINC001588642541	983764690	/nfs/dbraw/zinc/76/46/90/983764690.db2.gz	VTMMYATUDPIOLD-HRDYMLBCSA-N	-1	0	289.715	0.898	20	30		CCEDRM
C=C(Cl)COC(=O)CN1CCC[C@@H](C(=O)[O-])C1=O	ZINC001588643404	983766227	/nfs/dbraw/zinc/76/62/27/983766227.db2.gz	INVBJKDXYQZMET-MRVPVSSYSA-N	-1	0	275.688	0.605	20	30		CCEDRM
C=C1CN(C[C@H](O)COc2ccc(C(=O)[O-])cc2)C1	ZINC001588650442	983771984	/nfs/dbraw/zinc/77/19/84/983771984.db2.gz	AJBMMZDJZRRJMS-LBPRGKRZSA-N	-1	0	263.293	0.996	20	30		CCEDRM
C=CC(C)(C)C(=O)N[C@H](Cc1c[nH]cn1)C(=O)[O-]	ZINC001588672474	983825321	/nfs/dbraw/zinc/82/53/21/983825321.db2.gz	SOJFWWKXMVQEDD-SECBINFHSA-N	-1	0	251.286	0.734	20	30		CCEDRM
C=C[C@](C)(CCOC)C(=O)NC[C@@H](O)CC(=O)[O-]	ZINC001588682302	983843049	/nfs/dbraw/zinc/84/30/49/983843049.db2.gz	LEMCTFHMGSCUIT-JOYOIKCWSA-N	-1	0	259.302	0.167	20	30		CCEDRM
C=C[C@@](C)(O)CC(=O)N1CCC2(CC(C(=O)[O-])=NO2)CC1	ZINC001588684571	983861618	/nfs/dbraw/zinc/86/16/18/983861618.db2.gz	UCGAPMGUHWCEIW-CYBMUJFWSA-N	-1	0	296.323	0.536	20	30		CCEDRM
C=C[C@@H](C)NC(=O)N1CCC[C@H](n2cc(C(=O)[O-])nn2)C1	ZINC001588687616	983871123	/nfs/dbraw/zinc/87/11/23/983871123.db2.gz	QKBHAGKAYUQLHR-ZJUUUORDSA-N	-1	0	293.327	0.897	20	30		CCEDRM
C=C[C@@H](COC)NS(=O)(=O)c1cc(C(=O)[O-])oc1C	ZINC001588692428	983882064	/nfs/dbraw/zinc/88/20/64/983882064.db2.gz	BOEBGJUVLCLAIK-QMMMGPOBSA-N	-1	0	289.309	0.766	20	30		CCEDRM
C=C[C@H](O)C(=O)Nc1ccc(C(=O)NCCC(=O)[O-])cc1	ZINC001588705395	983926969	/nfs/dbraw/zinc/92/69/69/983926969.db2.gz	MOTATGUXNRVCJH-NSHDSACASA-N	-1	0	292.291	0.377	20	30		CCEDRM
C=C[C@H](OC(=O)[C@@H](OC)C(=O)OC(C)(C)C)C(=O)[O-]	ZINC001588705902	983928727	/nfs/dbraw/zinc/92/87/27/983928727.db2.gz	RVONBLSQBNXVBX-JGVFFNPUSA-N	-1	0	274.269	0.526	20	30		CCEDRM
C=C[C@H](OC(=O)CCc1cc(OC)no1)C(=O)[O-]	ZINC001588710635	983933191	/nfs/dbraw/zinc/93/31/91/983933191.db2.gz	GJIIHZCLWSHWIA-QMMMGPOBSA-N	-1	0	255.226	0.798	20	30		CCEDRM
C=C[C@@H](OC(=O)c1c(C)nn(C)c1OC)C(=O)[O-]	ZINC001588712252	983942713	/nfs/dbraw/zinc/94/27/13/983942713.db2.gz	ICVASSMYEYLLLR-SSDOTTSWSA-N	-1	0	254.242	0.533	20	30		CCEDRM
C=CC1CCN(C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)[O-])CC1	ZINC001588719588	983961444	/nfs/dbraw/zinc/96/14/44/983961444.db2.gz	BSFDIPMJXDFOOT-UWVGGRQHSA-N	-1	0	297.355	0.572	20	30		CCEDRM
C=CC[C@@H](C(=O)[O-])N1CCO[C@H](C(=O)C2CC2)C1	ZINC001588732216	984016120	/nfs/dbraw/zinc/01/61/20/984016120.db2.gz	WIDULPYCJFWQEQ-QWRGUYRKSA-N	-1	0	253.298	0.696	20	30		CCEDRM
C=CC[C@H](CO)NC(=O)Nc1nn(C)cc1C(=O)[O-]	ZINC001588745231	984050146	/nfs/dbraw/zinc/05/01/46/984050146.db2.gz	WETZBGBWFRWICT-SSDOTTSWSA-N	-1	0	268.273	0.177	20	30		CCEDRM
C=CCC[C@H](CO)NC(=O)CC[C@@H]1C[C@H](C(=O)[O-])CO1	ZINC001588778202	984159923	/nfs/dbraw/zinc/15/99/23/984159923.db2.gz	XNUNLLXFSVFTLS-QJPTWQEYSA-N	-1	0	285.340	0.700	20	30		CCEDRM
C=CCCC[C@H](NC(=O)C(=O)c1cnn(C)c1)C(=O)[O-]	ZINC001588785973	984182373	/nfs/dbraw/zinc/18/23/73/984182373.db2.gz	LCGAPVXNFILNJL-JTQLQIEISA-N	-1	0	279.296	0.529	20	30		CCEDRM
C=CCCC[C@@H](NC(=O)C(=O)c1cnn(C)c1)C(=O)[O-]	ZINC001588785975	984182400	/nfs/dbraw/zinc/18/24/00/984182400.db2.gz	LCGAPVXNFILNJL-SNVBAGLBSA-N	-1	0	279.296	0.529	20	30		CCEDRM
C=CCCC[C@@H](NC(=O)CCN1C(=O)CCC1=O)C(=O)[O-]	ZINC001588788542	984191122	/nfs/dbraw/zinc/19/11/22/984191122.db2.gz	GOGJVXGGJWIBJJ-SNVBAGLBSA-N	-1	0	296.323	0.451	20	30		CCEDRM
C=CCCC[C@@H](NC(=O)C[C@@H]1CCC(=O)N1)C(=O)[O-]	ZINC001588789331	984197909	/nfs/dbraw/zinc/19/79/09/984197909.db2.gz	AZXAZBOLPAVZOV-VHSXEESVSA-N	-1	0	268.313	0.581	20	30		CCEDRM
C=CCCC[C@@H](NC(=O)CC1CS(=O)(=O)C1)C(=O)[O-]	ZINC001588790371	984205700	/nfs/dbraw/zinc/20/57/00/984205700.db2.gz	VXWQEDXRGOOZDG-SNVBAGLBSA-N	-1	0	289.353	0.347	20	30		CCEDRM
C=CCCC[C@H](NC(=O)[C@@H]1CC[C@@H]1C(N)=O)C(=O)[O-]	ZINC001588790315	984205781	/nfs/dbraw/zinc/20/57/81/984205781.db2.gz	VMUDTMAUDSAVDF-AEJSXWLSSA-N	-1	0	268.313	0.424	20	30		CCEDRM
C=CCCC[C@H](NC(=O)Cn1ccc([N+](=O)[O-])n1)C(=O)[O-]	ZINC001588794193	984225357	/nfs/dbraw/zinc/22/53/57/984225357.db2.gz	NXNYOWFJDFBVIO-VIFPVBQESA-N	-1	0	296.283	0.717	20	30		CCEDRM
C=CCCC[C@H](NC(=O)[C@@H]1COC(=O)N1)C(=O)[O-]	ZINC001588794191	984225371	/nfs/dbraw/zinc/22/53/71/984225371.db2.gz	NXLMVDIYCJIKHE-YUMQZZPRSA-N	-1	0	256.258	0.021	20	30		CCEDRM
C=CCN(CC=C)C(=O)[C@@H](C)OC(=O)C1(C(=O)[O-])CC1	ZINC001588825537	984301647	/nfs/dbraw/zinc/30/16/47/984301647.db2.gz	TWLKSIFWNZSCBS-SNVBAGLBSA-N	-1	0	281.308	0.984	20	30		CCEDRM
C=CCN(CCOC)C(=O)c1cc(C(=O)[O-])nn1C	ZINC001588829004	984310890	/nfs/dbraw/zinc/31/08/90/984310890.db2.gz	XQCOWSJVXKEBMW-UHFFFAOYSA-N	-1	0	267.285	0.393	20	30		CCEDRM
C=CCN1CC[C@@H](N(C)c2ncc(C(=O)[O-])cn2)C1=O	ZINC001588838978	984343818	/nfs/dbraw/zinc/34/38/18/984343818.db2.gz	MLYRVBZSXMCMCK-SNVBAGLBSA-N	-1	0	276.296	0.398	20	30		CCEDRM
C=CCN1CC[C@@H](N(C)Cc2oncc2C(=O)[O-])C1=O	ZINC001588839749	984349489	/nfs/dbraw/zinc/34/94/89/984349489.db2.gz	VXJMVTCKGNNULL-SNVBAGLBSA-N	-1	0	279.296	0.592	20	30		CCEDRM
C=CCNC(=O)COC(=O)c1oc(C(=O)[O-])cc1C	ZINC001588844707	984359542	/nfs/dbraw/zinc/35/95/42/984359542.db2.gz	PJSGLYVOGRELBO-UHFFFAOYSA-N	-1	0	267.237	0.745	20	30		CCEDRM
C=CCOC[C@H](NC(=O)[C@H]1CCC[C@H](OC)C1)C(=O)[O-]	ZINC001588855449	984392742	/nfs/dbraw/zinc/39/27/42/984392742.db2.gz	GZKTXDCEPBMGJB-SRVKXCTJSA-N	-1	0	285.340	0.964	20	30		CCEDRM
C=CCOC[C@@H](NC(=O)[C@H]1CCN1C(C)(C)C)C(=O)[O-]	ZINC001588855665	984394607	/nfs/dbraw/zinc/39/46/07/984394607.db2.gz	NNHDLISIZFSYJD-GHMZBOCLSA-N	-1	0	284.356	0.631	20	30		CCEDRM
C=CCOC[C@H](NC(=O)[C@H]1CCOC[C@H]1C)C(=O)[O-]	ZINC001588856031	984396243	/nfs/dbraw/zinc/39/62/43/984396243.db2.gz	UPPWPHKIOHATCL-VWYCJHECSA-N	-1	0	271.313	0.431	20	30		CCEDRM
C=CCOC[C@@H](NC(=O)[C@H]1CC12CCC2)C(=O)[O-]	ZINC001588856024	984396275	/nfs/dbraw/zinc/39/62/75/984396275.db2.gz	UOWQRHXLEIQYPE-NXEZZACHSA-N	-1	0	253.298	0.949	20	30		CCEDRM
C=CCOC[C@H](NC(=O)[C@H](CC)N1CCCC1=O)C(=O)[O-]	ZINC001588856454	984400521	/nfs/dbraw/zinc/40/05/21/984400521.db2.gz	ZOROYPCHSPWLQK-QWRGUYRKSA-N	-1	0	298.339	0.159	20	30		CCEDRM
C=CCOC[C@H](NC(=O)c1cc(C(F)F)n[nH]1)C(=O)[O-]	ZINC001588859682	984407535	/nfs/dbraw/zinc/40/75/35/984407535.db2.gz	STKGBLMBSVYXMN-QMMMGPOBSA-N	-1	0	289.238	0.733	20	30		CCEDRM
C=CCOC[C@@H](NC(=O)c1snnc1CC)C(=O)[O-]	ZINC001588860221	984411604	/nfs/dbraw/zinc/41/16/04/984411604.db2.gz	MPBWKGOZUDWWBT-MRVPVSSYSA-N	-1	0	285.325	0.486	20	30		CCEDRM
C=CCOC[C@H](NC(=O)c1cnc(Cl)n1C)C(=O)[O-]	ZINC001588860494	984413680	/nfs/dbraw/zinc/41/36/80/984413680.db2.gz	WDZVAIBXONIIMV-ZETCQYMHSA-N	-1	0	287.703	0.459	20	30		CCEDRM
C=CCOC[C@H](NCc1[nH]nc(C)c1C)C(=O)[O-]	ZINC001588866366	984424364	/nfs/dbraw/zinc/42/43/64/984424364.db2.gz	MQGYIRDHXCPYRM-NSHDSACASA-N	-1	0	253.302	0.772	20	30		CCEDRM
C=CCOC[C@H](NCc1cc(C(=O)[O-])no1)C(=O)OC	ZINC001588866415	984424990	/nfs/dbraw/zinc/42/49/90/984424990.db2.gz	PDDUAHKIIGVBKY-JTQLQIEISA-N	-1	0	284.268	0.207	20	30		CCEDRM
C=CCOC[C@@H](NCc1nn(C)cc1C)C(=O)[O-]	ZINC001588867280	984431626	/nfs/dbraw/zinc/43/16/26/984431626.db2.gz	YXCQAMNNYSSKJC-LLVKDONJSA-N	-1	0	253.302	0.474	20	30		CCEDRM
CCOC(=O)/C=C/CN1CCC(C#N)(C(=O)[O-])CC1	ZINC001596582091	984497038	/nfs/dbraw/zinc/49/70/38/984497038.db2.gz	ABWZTUPYGPFNQX-ONEGZZNKSA-N	-1	0	266.297	0.796	20	30		CCEDRM
C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H](C(=O)[O-])C1CCOCC1	ZINC001588916723	984562921	/nfs/dbraw/zinc/56/29/21/984562921.db2.gz	ATRUVEXPRKMEEE-GRYCIOLGSA-N	-1	0	283.324	0.574	20	30		CCEDRM
C=C[C@@H]1OCC[C@H]1C(=O)N[C@@](C)(C(=O)[O-])C1CC1	ZINC001588917198	984565225	/nfs/dbraw/zinc/56/52/25/984565225.db2.gz	PQPKDHUETFTGPN-GBIKHYSHSA-N	-1	0	253.298	0.947	20	30		CCEDRM
C=C[C@H](CO)NS(=O)(=O)c1cc(F)cc(C(=O)[O-])c1	ZINC001588919814	984574637	/nfs/dbraw/zinc/57/46/37/984574637.db2.gz	PNRPMUCHPRTIJE-SECBINFHSA-N	-1	0	289.284	0.349	20	30		CCEDRM
CC#CC[C@H](CO)NS(=O)(=O)c1ccccc1C(=O)[O-]	ZINC001588924809	984583814	/nfs/dbraw/zinc/58/38/14/984583814.db2.gz	FMCCGBKGNZRGPC-SNVBAGLBSA-N	-1	0	297.332	0.437	20	30		CCEDRM
CC#CC[C@@H](CO)NC(=O)c1cccc(CC(=O)[O-])c1	ZINC001588926410	984593902	/nfs/dbraw/zinc/59/39/02/984593902.db2.gz	WINAISHDCWHDGK-ZDUSSCGKSA-N	-1	0	275.304	0.818	20	30		CCEDRM
CC#CCCNC(=O)N1CC(c2cc(C(=O)[O-])n[nH]2)C1	ZINC001588926867	984594410	/nfs/dbraw/zinc/59/44/10/984594410.db2.gz	AQDYBICDGBHSLD-UHFFFAOYSA-N	-1	0	276.296	0.630	20	30		CCEDRM
CC#CCCCC(=O)O[C@H]1C[C@H](C(=O)[O-])N(C)C1	ZINC001588926881	984594540	/nfs/dbraw/zinc/59/45/40/984594540.db2.gz	BDQRVUYRRBZDMG-WDEREUQCSA-N	-1	0	253.298	0.881	20	30		CCEDRM
CC#CCNC(=O)N[C@H]1C[C@H]2C[C@H](C(=O)[O-])C[C@H]21	ZINC001588932427	984608273	/nfs/dbraw/zinc/60/82/73/984608273.db2.gz	VCNNUOLNGIXNEV-YTWAJWBKSA-N	-1	0	250.298	0.808	20	30		CCEDRM
C/C(=C\CNC(=O)C#Cc1ccc2c(c1)OCO2)C(=O)[O-]	ZINC001588961198	984736190	/nfs/dbraw/zinc/73/61/90/984736190.db2.gz	LCOBQQWVSIWWMC-UXBLZVDNSA-N	-1	0	287.271	0.914	20	30		CCEDRM
CC(=NN[C@@H]1CCOC1)c1ncc(C(=O)[O-])s1	ZINC001589016604	984996481	/nfs/dbraw/zinc/99/64/81/984996481.db2.gz	CIQPZZRPRYIRGJ-SSDOTTSWSA-N	-1	0	255.299	0.944	20	30		CCEDRM
CCOC(=O)c1cnn(C/C=C(\C)C(=O)[O-])c1C#N	ZINC001596745112	985063929	/nfs/dbraw/zinc/06/39/29/985063929.db2.gz	ZXJIRDUPZRGASK-XBXARRHUSA-N	-1	0	263.253	0.962	20	30		CCEDRM
CC(=O)N[C@@H](C)C(=O)OCC#Cc1cccc(C(=O)[O-])c1	ZINC001589107536	985341408	/nfs/dbraw/zinc/34/14/08/985341408.db2.gz	MEWVMVUQGNBIOF-JTQLQIEISA-N	-1	0	289.287	0.804	20	30		CCEDRM
Cc1c(C#N)cccc1C(=O)N1CCN(CC(=O)[O-])CC1	ZINC001599973478	986048710	/nfs/dbraw/zinc/04/87/10/986048710.db2.gz	VFTQIJZZBRKJHZ-UHFFFAOYSA-N	-1	0	287.319	0.709	20	30		CCEDRM
C[C@H]1CN(CCN(CC#N)CC(=O)[O-])C[C@H](C)O1	ZINC001594526789	986060262	/nfs/dbraw/zinc/06/02/62/986060262.db2.gz	DNXLCGYMNNWSSQ-QWRGUYRKSA-N	-1	0	255.318	0.006	20	30		CCEDRM
C[C@H](C#N)CN(C)C(=O)C(=O)Nc1cccc(C(=O)[O-])n1	ZINC001589330064	986168967	/nfs/dbraw/zinc/16/89/67/986168967.db2.gz	XTPFZACWTGXHTG-MRVPVSSYSA-N	-1	0	290.279	0.336	20	30		CCEDRM
C[C@H](C#N)CNN=C1CCCn2nc(C(=O)[O-])cc21	ZINC001589330534	986174464	/nfs/dbraw/zinc/17/44/64/986174464.db2.gz	JCURCSVWNQBJCG-MRVPVSSYSA-N	-1	0	261.285	0.828	20	30		CCEDRM
C[C@@H](C#N)CNC(=O)NC[C@H](CC(=O)[O-])C1CC1	ZINC001589330753	986178117	/nfs/dbraw/zinc/17/81/17/986178117.db2.gz	PGAMLHIRTJNTQE-WPRPVWTQSA-N	-1	0	253.302	0.946	20	30		CCEDRM
C[C@@H](C#N)OCCn1cc(C(=O)[O-])cc([N+](=O)[O-])c1=O	ZINC001589331868	986193537	/nfs/dbraw/zinc/19/35/37/986193537.db2.gz	RHLZUJKQGVHYJC-ZETCQYMHSA-N	-1	0	281.224	0.383	20	30		CCEDRM
C[C@@H](C(=O)N(CC#N)CCC(=O)[O-])N1CCSCC1	ZINC001589341969	986259714	/nfs/dbraw/zinc/25/97/14/986259714.db2.gz	SFXZOAOKJHXUHI-JTQLQIEISA-N	-1	0	285.369	0.251	20	30		CCEDRM
C[C@H](C(=O)N(CC#N)CCC(=O)[O-])n1cccn1	ZINC001589341953	986259831	/nfs/dbraw/zinc/25/98/31/986259831.db2.gz	RMELSWBMKNVJJV-SECBINFHSA-N	-1	0	250.258	0.271	20	30		CCEDRM
C[C@H]1CN(c2ccc(C(=O)[O-])nc2C#N)CCN1CCO	ZINC001594569236	986377904	/nfs/dbraw/zinc/37/79/04/986377904.db2.gz	OKVQGPUCDVSABC-JTQLQIEISA-N	-1	0	290.323	0.154	20	30		CCEDRM
C[C@H]1CN(c2ccnc(C(=O)[O-])n2)C[C@H](C)N1CC#N	ZINC001594579828	986443444	/nfs/dbraw/zinc/44/34/44/986443444.db2.gz	WXOKUXCWYSNCKE-UWVGGRQHSA-N	-1	0	275.312	0.597	20	30		CCEDRM
C[C@H](C(=O)Nc1cccc(CC(=O)[O-])c1)n1cnc(C#N)n1	ZINC001589440046	986781638	/nfs/dbraw/zinc/78/16/38/986781638.db2.gz	QHOSBSOAELOLPX-SECBINFHSA-N	-1	0	299.290	0.977	20	30		CCEDRM
CC[C@@H](C#N)C(=O)NCC1(CC(=O)[O-])CCOCC1	ZINC001594722651	987214780	/nfs/dbraw/zinc/21/47/80/987214780.db2.gz	SBEYSKVDPXUJFX-JTQLQIEISA-N	-1	0	268.313	0.924	20	30		CCEDRM
CC(C)(C#N)CC(=O)N1CC(n2cc(C(=O)[O-])nn2)C1	ZINC001589554176	987298521	/nfs/dbraw/zinc/29/85/21/987298521.db2.gz	WRXSYKGIXLBRBI-UHFFFAOYSA-N	-1	0	277.284	0.299	20	30		CCEDRM
CC(C)(C#N)CC(=O)NC[C@@H](C(=O)[O-])[C@H]1CCOC1	ZINC001589554141	987298537	/nfs/dbraw/zinc/29/85/37/987298537.db2.gz	VOZCUFUMYLPDFD-VHSXEESVSA-N	-1	0	268.313	0.780	20	30		CCEDRM
CC(C)(C#N)CS(=O)(=O)N[C@H](CCF)C(=O)[O-]	ZINC001589557960	987308201	/nfs/dbraw/zinc/30/82/01/987308201.db2.gz	JMFCBBPKZSPVIR-SSDOTTSWSA-N	-1	0	266.294	0.268	20	30		CCEDRM
CC(C)(C#N)CS(=O)(=O)NCC(C)(C)CC(=O)[O-]	ZINC001589558263	987309631	/nfs/dbraw/zinc/30/96/31/987309631.db2.gz	NDBVJAFCURFNKZ-UHFFFAOYSA-N	-1	0	276.358	0.956	20	30		CCEDRM
CC(C)(C(=O)[O-])C(=O)COC(=O)c1cc(C#N)ccn1	ZINC001589584230	987377644	/nfs/dbraw/zinc/37/76/44/987377644.db2.gz	DBLMKHDSDZQOAO-UHFFFAOYSA-N	-1	0	276.248	0.790	20	30		CCEDRM
CC(C)(C)C#CC(=O)NC[C@@H](C(=O)[O-])[C@H]1CCOC1	ZINC001589684569	987722615	/nfs/dbraw/zinc/72/26/15/987722615.db2.gz	JRLLQBJYOOZRAW-WDEREUQCSA-N	-1	0	267.325	0.889	20	30		CCEDRM
CSCC[C@H](OC(=O)CSCC#N)C(=O)[O-]	ZINC001599798506	988137294	/nfs/dbraw/zinc/13/72/94/988137294.db2.gz	QZCCUCJGEWAJEL-ZETCQYMHSA-N	-1	0	263.340	0.993	20	30		CCEDRM
CCc1ccccc1S(=O)(=O)N(CC#N)CC(=O)[O-]	ZINC001597616364	988537481	/nfs/dbraw/zinc/53/74/81/988537481.db2.gz	KWLRDTZWZLHYKF-UHFFFAOYSA-N	-1	0	282.321	0.848	20	30		CCEDRM
C[C@@H](C#N)NS(=O)(=O)c1cc(C(=O)[O-])cs1	ZINC001599830417	988663611	/nfs/dbraw/zinc/66/36/11/988663611.db2.gz	UKTLDSLMLIEHEW-YFKPBYRVSA-N	-1	0	260.296	0.637	20	30		CCEDRM
CCc1nc(C)c(CC(=O)N(CC#N)CC(=O)[O-])c(C)n1	ZINC001597657837	988721195	/nfs/dbraw/zinc/72/11/95/988721195.db2.gz	ONOSSDHTAFIYIR-UHFFFAOYSA-N	-1	0	290.323	0.635	20	30		CCEDRM
CCc1nnc(CN2CCC(C#N)(C(=O)[O-])CC2)[nH]1	ZINC001597667472	988750401	/nfs/dbraw/zinc/75/04/01/988750401.db2.gz	QRDSRFWBNXMDSD-UHFFFAOYSA-N	-1	0	263.301	0.557	20	30		CCEDRM
C[C@@H]1CN(C(=O)NCC2(C#N)CCC2)C[C@@H](C(=O)[O-])O1	ZINC001599855521	989081230	/nfs/dbraw/zinc/08/12/30/989081230.db2.gz	ARNTYHYBGBHQQK-ZJUUUORDSA-N	-1	0	281.312	0.564	20	30		CCEDRM
CCc1noc(NC(=O)N2CCC(C#N)(C(=O)[O-])CC2)n1	ZINC001597750492	989144799	/nfs/dbraw/zinc/14/47/99/989144799.db2.gz	BXLZITKZEVJOLA-UHFFFAOYSA-N	-1	0	293.283	0.854	20	30		CCEDRM
C[C@@H]1C[C@H](C(=O)N2CCO[C@@](C)(C#N)C2)O[C@H]1C(=O)[O-]	ZINC001599874029	989394350	/nfs/dbraw/zinc/39/43/50/989394350.db2.gz	PTMRASGMGKRCGG-PRFIWBCESA-N	-1	0	282.296	0.006	20	30		CCEDRM
C[C@@H]1C[C@H](C(=O)N[C@H](C#N)C(C)(C)C)O[C@H]1C(=O)[O-]	ZINC001599874067	989395188	/nfs/dbraw/zinc/39/51/88/989395188.db2.gz	SJIFBSVPTVVJNO-ZYUZMQFOSA-N	-1	0	268.313	0.919	20	30		CCEDRM
CC(C)(CCC(=O)N(CC#N)CCC(=O)[O-])[N+](=O)[O-]	ZINC001590655814	990351352	/nfs/dbraw/zinc/35/13/52/990351352.db2.gz	DPUFBVHMNRDISE-UHFFFAOYSA-N	-1	0	271.273	0.649	20	30		CCEDRM
CN(C)C(=O)c1ccc(CN(CC#N)CCC(=O)[O-])[nH]1	ZINC001598151719	990635756	/nfs/dbraw/zinc/63/57/56/990635756.db2.gz	BWFUSXUZWZVBCT-UHFFFAOYSA-N	-1	0	278.312	0.517	20	30		CCEDRM
CC(C)[C@@H](C#N)N1CCN(c2ccnc(C(=O)[O-])n2)CC1	ZINC001590952476	991013933	/nfs/dbraw/zinc/01/39/33/991013933.db2.gz	GLVPYKZXGFPOIM-LLVKDONJSA-N	-1	0	289.339	0.845	20	30		CCEDRM
CN(C)c1n[nH]c(CNc2ccc(C(=O)[O-])nc2C#N)n1	ZINC001598364781	991510165	/nfs/dbraw/zinc/51/01/65/991510165.db2.gz	DBELOKXIEWKGFO-UHFFFAOYSA-N	-1	0	287.283	0.448	20	30		CCEDRM
CN(CC(C)(CO)CO)c1ccc(C(=O)[O-])nc1C#N	ZINC001598425175	991775410	/nfs/dbraw/zinc/77/54/10/991775410.db2.gz	GLJBUGJADYDLBS-UHFFFAOYSA-N	-1	0	279.296	0.079	20	30		CCEDRM
CC(C)C[C@@H](NC(=O)CN1CC[C@](C)(C#N)C1)C(=O)[O-]	ZINC001591167678	991936887	/nfs/dbraw/zinc/93/68/87/991936887.db2.gz	KXBZGRRDPOYLBQ-BXUZGUMPSA-N	-1	0	281.356	0.837	20	30		CCEDRM
CN(CCC#N)C(=O)C(=O)Nc1cccc(F)c1C(=O)[O-]	ZINC001598468499	991987748	/nfs/dbraw/zinc/98/77/48/991987748.db2.gz	NWFPVGNHZKGIQD-UHFFFAOYSA-N	-1	0	293.254	0.834	20	30		CCEDRM
CN(CCNC(=O)[C@@H]1C[C@H]1C(=O)[O-])c1ccncc1C#N	ZINC001598490535	992283201	/nfs/dbraw/zinc/28/32/01/992283201.db2.gz	ISUAQXUUBBPLOB-GHMZBOCLSA-N	-1	0	288.307	0.226	20	30		CCEDRM
CN(CCNC(=O)[C@@H]1C[C@@H]1C(=O)[O-])c1ccncc1C#N	ZINC001598490536	992283419	/nfs/dbraw/zinc/28/34/19/992283419.db2.gz	ISUAQXUUBBPLOB-MNOVXSKESA-N	-1	0	288.307	0.226	20	30		CCEDRM
CN(CCNC(=O)[C@H]1C[C@@H]1C(=O)[O-])c1ncccc1C#N	ZINC001598491848	992305754	/nfs/dbraw/zinc/30/57/54/992305754.db2.gz	WQJAEIAFBKLUIF-QWRGUYRKSA-N	-1	0	288.307	0.226	20	30		CCEDRM
CN1CN([C@H](C(=O)[O-])c2cccc(C#N)c2)CC1=O	ZINC001598628081	994130509	/nfs/dbraw/zinc/13/05/09/994130509.db2.gz	KHLSROQFFCXESX-LBPRGKRZSA-N	-1	0	259.265	0.415	20	30		CCEDRM
CNc1nc(C)cc(C(=O)N(CC#N)CCC(=O)[O-])n1	ZINC001598682000	994943682	/nfs/dbraw/zinc/94/36/82/994943682.db2.gz	YEONPPDPGOZELK-UHFFFAOYSA-N	-1	0	277.284	0.267	20	30		CCEDRM
C[C@@](O)(C(=O)N(CC#N)CCC(=O)[O-])c1ccc(F)cc1	ZINC001593373983	995071357	/nfs/dbraw/zinc/07/13/57/995071357.db2.gz	MPSMRDGFKMNJFN-AWEZNQCLSA-N	-1	0	294.282	0.860	20	30		CCEDRM
COC(=O)[C@@H]1C[C@H](C(=O)[O-])CCN1CCO[C@H](C)C#N	ZINC001598762097	995787385	/nfs/dbraw/zinc/78/73/85/995787385.db2.gz	TYJLNLBMCBENQT-MXWKQRLJSA-N	-1	0	284.312	0.253	20	30		CCEDRM
COC(=O)[C@H]1CN(c2nc(C#N)ccc2C)C[C@@H]1C(=O)[O-]	ZINC001598826161	996384962	/nfs/dbraw/zinc/38/49/62/996384962.db2.gz	GPHFJDGOLPYNKS-QWRGUYRKSA-N	-1	0	289.291	0.572	20	30		CCEDRM
COC(=O)CN(CC(=O)[O-])C(=O)CCCCCC#N	ZINC001598860541	996670678	/nfs/dbraw/zinc/67/06/78/996670678.db2.gz	LPBGVOBZRDVVIK-UHFFFAOYSA-N	-1	0	270.285	0.547	20	30		CCEDRM
COC(=O)CN(CC#N)C(=O)/C=C/c1cc(C(=O)[O-])co1	ZINC001598860747	996672379	/nfs/dbraw/zinc/67/23/79/996672379.db2.gz	GHRLSPCFHBIAPG-NSCUHMNNSA-N	-1	0	292.247	0.516	20	30		CCEDRM
COC(=O)N(C)CCNc1ccc(C(=O)[O-])nc1C#N	ZINC001598877457	996772755	/nfs/dbraw/zinc/77/27/55/996772755.db2.gz	KQIKJZPGZWHXMT-UHFFFAOYSA-N	-1	0	278.268	0.762	20	30		CCEDRM
COCc1ccc(S(=O)(=O)N(CC#N)CC(=O)[O-])cc1	ZINC001599295350	997130202	/nfs/dbraw/zinc/13/02/02/997130202.db2.gz	YOMQWPDMGBPLIX-UHFFFAOYSA-N	-1	0	298.320	0.432	20	30		CCEDRM
COCC[C@@H](NC(=O)CC1(C#N)CCOCC1)C(=O)[O-]	ZINC001599214271	997554800	/nfs/dbraw/zinc/55/48/00/997554800.db2.gz	CLOCJUGCRNTWKY-SNVBAGLBSA-N	-1	0	284.312	0.303	20	30		CCEDRM
CON=CC(=O)Nc1ccc(C(=O)NCC(=O)[O-])cc1	ZINC001599320191	997567865	/nfs/dbraw/zinc/56/78/65/997567865.db2.gz	DGIPKRQBWPQSLN-UHFFFAOYSA-N	-1	0	279.252	0.072	20	30		CCEDRM
CON=CC(=O)N1CC[C@@](C(=O)[O-])(C(F)(F)F)C1	ZINC001599320538	997573460	/nfs/dbraw/zinc/57/34/60/997573460.db2.gz	PYPFMWGOVYQEEQ-MRVPVSSYSA-N	-1	0	268.191	0.484	20	30		CCEDRM
CO[C@@H]1CN(Cc2cccc(C(=O)[O-])c2C#N)C[C@H]1O	ZINC001599323523	997623839	/nfs/dbraw/zinc/62/38/39/997623839.db2.gz	XTAYZRDKFLXKOL-CHWSQXEVSA-N	-1	0	276.292	0.448	20	30		CCEDRM
COC(=O)c1cc(C(=O)[O-])nn1CCO[C@@H](C)C#N	ZINC001598925732	997644163	/nfs/dbraw/zinc/64/41/63/997644163.db2.gz	XBPMJOPUJKJYAA-ZETCQYMHSA-N	-1	0	267.241	0.297	20	30		CCEDRM
CO[C@H]1CCN(C(=O)C#CC(C)C)[C@H](C(=O)[O-])C1	ZINC001599117008	997671457	/nfs/dbraw/zinc/67/14/57/997671457.db2.gz	ULBFDVAABCFHEP-QWRGUYRKSA-N	-1	0	253.298	0.736	20	30		CCEDRM
CC1(NC(=O)[C@H]2C[C@@H]2C(=O)[O-])CCN(CC#N)CC1	ZINC001594053686	997774703	/nfs/dbraw/zinc/77/47/03/997774703.db2.gz	WFNJNYVGLVZDQK-UWVGGRQHSA-N	-1	0	265.313	0.201	20	30		CCEDRM
COc1cc(C#N)ccc1CN1C[C@H](O)C[C@H]1C(=O)[O-]	ZINC001599347995	998042928	/nfs/dbraw/zinc/04/29/28/998042928.db2.gz	OWGXOCVQMLOKHA-NEPJUHHUSA-N	-1	0	276.292	0.587	20	30		CCEDRM
COCC#CC(=O)N(C)[C@H](COC1CCC1)C(=O)[O-]	ZINC001599139366	998099926	/nfs/dbraw/zinc/09/99/26/998099926.db2.gz	WAMMAHPALXVEDO-LLVKDONJSA-N	-1	0	269.297	0.117	20	30		CCEDRM
COCC#CCOC(=O)[C@@H]1C[C@H](C)[C@@H](C(=O)[O-])O1	ZINC001599140867	998126457	/nfs/dbraw/zinc/12/64/57/998126457.db2.gz	GFYAMGQEDCPTEZ-GUBZILKMSA-N	-1	0	256.254	0.058	20	30		CCEDRM
COC[C@@H](C#N)OC(=O)[C@H]1CC[C@H](C(=O)[O-])CC1	ZINC001599143750	998176053	/nfs/dbraw/zinc/17/60/53/998176053.db2.gz	BVAGJOYRQWZYBL-OPRDCNLKSA-N	-1	0	255.270	0.959	20	30		CCEDRM
COc1cc(S(=O)(=O)NCC#N)ccc1C(=O)[O-]	ZINC001599458782	998235134	/nfs/dbraw/zinc/23/51/34/998235134.db2.gz	DNPJKMMIBKIYQW-UHFFFAOYSA-N	-1	0	270.266	0.195	20	30		CCEDRM
C[C@@H]1[C@@H](C(=O)[O-])CCN1C(=O)c1ccc(C#N)nc1	ZINC001594158222	998584066	/nfs/dbraw/zinc/58/40/66/998584066.db2.gz	FIACCGXFKGDAOT-KCJUWKMLSA-N	-1	0	259.265	0.888	20	30		CCEDRM
C[C@@H]1[C@H](C(=O)[O-])CCN1Cn1cccc(C#N)c1=O	ZINC001594166748	998634678	/nfs/dbraw/zinc/63/46/78/998634678.db2.gz	BHZGNIUNRGQELQ-MWLCHTKSSA-N	-1	0	261.281	0.472	20	30		CCEDRM
C[C@@H]1C[C@H](C(=O)N2CCC(C#N)(C(=O)[O-])CC2)CO1	ZINC001594201334	998778266	/nfs/dbraw/zinc/77/82/66/998778266.db2.gz	HKOFAMQQTRSSSO-ZJUUUORDSA-N	-1	0	266.297	0.628	20	30		CCEDRM
COC(CN(CCC(=O)[O-])C(=O)[C@@H]1C[C@@H]1C#N)OC	ZINC001599045127	999145092	/nfs/dbraw/zinc/14/50/92/999145092.db2.gz	CLEFQHWCASWHTN-RKDXNWHRSA-N	-1	0	270.285	0.068	20	30		CCEDRM
CO[C@@]1(C(=O)[O-])CCN(C(=O)C#CC(C)(C)C)C1	ZINC001599067684	999309465	/nfs/dbraw/zinc/30/94/65/999309465.db2.gz	GCMYCHOLIJZKEY-ZDUSSCGKSA-N	-1	0	253.298	0.738	20	30		CCEDRM
CO[C@]1(C(=O)[O-])CCN(C(=O)N[C@@H]2CC[C@H](C#N)C2)C1	ZINC001599069430	999321019	/nfs/dbraw/zinc/32/10/19/999321019.db2.gz	AEQJKPMVHOTGCO-OPQQBVKSSA-N	-1	0	281.312	0.564	20	30		CCEDRM
CO[C@@]1(C(=O)[O-])CCN(C(=O)c2ccc(C#N)c(C)n2)C1	ZINC001599073046	999346933	/nfs/dbraw/zinc/34/69/33/999346933.db2.gz	DWPSYBBSOPQRDD-AWEZNQCLSA-N	-1	0	289.291	0.577	20	30		CCEDRM
Cn1cc(C#N)c([N-]S(=O)(=O)CCC2CC2)n1	ZINC000092277253	349487754	/nfs/dbraw/zinc/48/77/54/349487754.db2.gz	DILZHHNXIVVZAI-UHFFFAOYSA-N	-1	0	254.315	0.834	20	30		CCEDRM
CC(C)[C@@H](CNC(=O)N1CCO[C@@H](C#N)C1)C(=O)[O-]	ZINC000093937523	349557391	/nfs/dbraw/zinc/55/73/91/349557391.db2.gz	JFYLKOLSWRGZAO-VHSXEESVSA-N	-1	0	269.301	0.277	20	30		CCEDRM
C[S@@](=O)C1(C(=O)[O-])CCN(c2cccc(C#N)n2)CC1	ZINC000600677250	362030660	/nfs/dbraw/zinc/03/06/60/362030660.db2.gz	BQWYQANCJPABRM-HXUWFJFHSA-N	-1	0	293.348	0.755	20	30		CCEDRM
Cc1nn(C)c(C)c1C[C@@H](C)C(=O)N=c1[nH][n-]cc1C#N	ZINC000601640650	362337346	/nfs/dbraw/zinc/33/73/46/362337346.db2.gz	KACCZEKKBORHCC-MRVPVSSYSA-N	-1	0	286.339	0.871	20	30		CCEDRM
C[C@H](CCC(=O)[O-])NS(=O)(=O)c1cncc(C#N)c1	ZINC000290623350	197769386	/nfs/dbraw/zinc/76/93/86/197769386.db2.gz	KOIAWDIWPUIFEL-MRVPVSSYSA-N	-1	0	283.309	0.485	20	30		CCEDRM
CC(C)[C@@H](C)N(C)C(=O)CCn1cc(C#N)c(=O)[n-]c1=O	ZINC000602052577	362467893	/nfs/dbraw/zinc/46/78/93/362467893.db2.gz	JYFFCYAKSUFIIE-SNVBAGLBSA-N	-1	0	292.339	0.714	20	30		CCEDRM
CC[C@H]1C[C@@H](C)CN1C(=O)Cn1cc(C#N)c(=O)[n-]c1=O	ZINC000602107680	362493272	/nfs/dbraw/zinc/49/32/72/362493272.db2.gz	OJEQWANGMVHMLM-KOLCDFICSA-N	-1	0	290.323	0.468	20	30		CCEDRM
C[C@@H]1CCC[C@@H](C)N1C(=O)Cn1cc(C#N)c(=O)[n-]c1=O	ZINC000602090957	362480577	/nfs/dbraw/zinc/48/05/77/362480577.db2.gz	FXYPFLXJYKFEML-NXEZZACHSA-N	-1	0	290.323	0.610	20	30		CCEDRM
CC1(C)CCCN(C(=O)Cn2cc(C#N)c(=O)[n-]c2=O)C1	ZINC000602097517	362485338	/nfs/dbraw/zinc/48/53/38/362485338.db2.gz	BMESYSOMBGGOHA-UHFFFAOYSA-N	-1	0	290.323	0.469	20	30		CCEDRM
C[C@@H]1CCCCN(C(=O)Cn2cc(C#N)c(=O)[n-]c2=O)C1	ZINC000602144593	362522284	/nfs/dbraw/zinc/52/22/84/362522284.db2.gz	RUKGNOCDKDUUGX-SNVBAGLBSA-N	-1	0	290.323	0.469	20	30		CCEDRM
CC[C@@]1(C)CCN(C(=O)Cn2cc(C#N)c(=O)[n-]c2=O)C1	ZINC000602122461	362505744	/nfs/dbraw/zinc/50/57/44/362505744.db2.gz	ZDQUAWSQVFAQDS-AWEZNQCLSA-N	-1	0	290.323	0.469	20	30		CCEDRM
C[C@H]1CCN(C(=O)Cn2cc(C#N)c(=O)[n-]c2=O)C[C@H]1F	ZINC000602147085	362524161	/nfs/dbraw/zinc/52/41/61/362524161.db2.gz	YSPDRJZRKXMIDZ-WCBMZHEXSA-N	-1	0	294.286	0.027	20	30		CCEDRM
CCC1CN(C(=O)CCn2cc(C#N)c(=O)[n-]c2=O)C1	ZINC000602156803	362531503	/nfs/dbraw/zinc/53/15/03/362531503.db2.gz	BJOKUFQTPSSGTP-UHFFFAOYSA-N	-1	0	276.296	0.079	20	30		CCEDRM
CCO[C@@H](C(=O)N=c1[n-]n(C)c(C)c1C#N)C1CC1	ZINC000602347394	362593922	/nfs/dbraw/zinc/59/39/22/362593922.db2.gz	GDFBSDVHAIKUHH-LLVKDONJSA-N	-1	0	262.313	0.776	20	30		CCEDRM
COCCOCCC(=O)Nc1nc(C#N)c(C#N)[n-]1	ZINC000049057842	136763029	/nfs/dbraw/zinc/76/30/29/136763029.db2.gz	HBAUVEBUWLEIBB-UHFFFAOYSA-N	-1	0	263.257	0.145	20	30		CCEDRM
C=CCN(CC(=O)[O-])S(=O)(=O)N(C)C(C)C	ZINC000086138138	179236445	/nfs/dbraw/zinc/23/64/45/179236445.db2.gz	OFVWAXORLUJKOY-UHFFFAOYSA-N	-1	0	250.320	0.144	20	30		CCEDRM
Cc1ncc(S(=O)(=O)[N-]c2nn(C)cc2C#N)s1	ZINC000229615489	136958803	/nfs/dbraw/zinc/95/88/03/136958803.db2.gz	CBTPALONRHQDOC-UHFFFAOYSA-N	-1	0	283.338	0.858	20	30		CCEDRM
C[C@@H](NS(=O)(=O)Cc1ccc(F)cc1C#N)C(=O)[O-]	ZINC000263553154	137068280	/nfs/dbraw/zinc/06/82/80/137068280.db2.gz	MKUPNUGSOUPCAG-SSDOTTSWSA-N	-1	0	286.284	0.590	20	30		CCEDRM
N#Cc1cncc(S(=O)(=O)[N-]c2cccnn2)c1	ZINC000311170750	137074302	/nfs/dbraw/zinc/07/43/02/137074302.db2.gz	SOSRDYNFGBETBP-UHFFFAOYSA-N	-1	0	261.266	0.544	20	30		CCEDRM
CC(C)n1cc(C#N)c(=NC(=O)C(=O)NCC[C@@H](C)F)[n-]1	ZINC000343171440	137118560	/nfs/dbraw/zinc/11/85/60/137118560.db2.gz	BEKMCLJGLJEVEN-SECBINFHSA-N	-1	0	295.318	0.560	20	30		CCEDRM
CN1C(=O)c2ccc(C(=O)[N-]S(C)(=O)=O)cc2C1=O	ZINC000042280782	348273158	/nfs/dbraw/zinc/27/31/58/348273158.db2.gz	QQAYYLCOUSRAGU-UHFFFAOYSA-N	-1	0	282.277	0.177	20	30		CCEDRM
Cc1noc(C[N-]S(=O)(=O)c2ccccc2C#N)n1	ZINC000045008823	348332137	/nfs/dbraw/zinc/33/21/37/348332137.db2.gz	LENBQHJXOIXGGX-UHFFFAOYSA-N	-1	0	278.293	0.728	20	30		CCEDRM
C=C(C)COCCNC(=O)N[C@H](C(=O)[O-])C1CC1	ZINC000164123967	350777189	/nfs/dbraw/zinc/77/71/89/350777189.db2.gz	ODGCEBQJQXLXQH-JTQLQIEISA-N	-1	0	256.302	0.742	20	30		CCEDRM
C[C@@H](CC(=O)[O-])NS(=O)(=O)c1ccc(C#N)s1	ZINC000230323440	352111593	/nfs/dbraw/zinc/11/15/93/352111593.db2.gz	DBFSSRJWZNHYQK-LURJTMIESA-N	-1	0	274.323	0.761	20	30		CCEDRM
CCC[C@H](NC(=O)[O-])C(=O)Nc1cnn(CC#N)c1	ZINC000739325395	581109849	/nfs/dbraw/zinc/10/98/49/581109849.db2.gz	JLDZGXFPVPDWTP-VIFPVBQESA-N	-1	0	265.273	0.781	20	30		CCEDRM
C=CCCS(=O)(=O)N[C@H](Cc1ccc(O)cc1)C(=O)[O-]	ZINC000274936021	353174352	/nfs/dbraw/zinc/17/43/52/353174352.db2.gz	PZFZNLICVOVWMU-GFCCVEGCSA-N	-1	0	299.348	0.883	20	30		CCEDRM
N#Cc1cncc(S(=O)(=O)N[C@@H]2C=C[C@H](C(=O)[O-])C2)c1	ZINC000290616815	353738066	/nfs/dbraw/zinc/73/80/66/353738066.db2.gz	JZDQWUPAHCYJPK-VHSXEESVSA-N	-1	0	293.304	0.261	20	30		CCEDRM
Cc1c(S(=O)(=O)[N-]c2nn(C)cc2C#N)cnn1C	ZINC000336818433	355191960	/nfs/dbraw/zinc/19/19/60/355191960.db2.gz	VMYXXYGJTXKZJA-UHFFFAOYSA-N	-1	0	280.313	0.135	20	30		CCEDRM
Cc1cc(NCCCc2n[nH]c(=O)[n-]2)c(C#N)cn1	ZINC000425236582	235275642	/nfs/dbraw/zinc/27/56/42/235275642.db2.gz	QINNFENPZSEKPU-UHFFFAOYSA-N	-1	0	258.285	0.552	20	30		CCEDRM
N#Cc1nc(NC(=O)[C@H]2CCC[C@@H](C(N)=O)C2)[n-]c1C#N	ZINC000348728453	355966771	/nfs/dbraw/zinc/96/67/71/355966771.db2.gz	LAVCFPXQVAMUER-SFYZADRCSA-N	-1	0	286.295	0.383	20	30		CCEDRM
N#CCc1cccc(S(=O)(=O)NCCC(=O)[O-])c1	ZINC000619470183	366264395	/nfs/dbraw/zinc/26/43/95/366264395.db2.gz	RCVYEQNNAXWQFB-UHFFFAOYSA-N	-1	0	268.294	0.506	20	30		CCEDRM
N#Cc1c(C2CC2)[n-][nH]c1=NC(=O)c1coc(C(N)=O)c1	ZINC000359718706	356878524	/nfs/dbraw/zinc/87/85/24/356878524.db2.gz	QIMBYIOWAPZGIE-UHFFFAOYSA-N	-1	0	285.263	0.525	20	30		CCEDRM
N#Cc1c(C2CC2)[n-][nH]c1=NC(=O)c1nccn2ccnc12	ZINC000359721238	356879109	/nfs/dbraw/zinc/87/91/09/356879109.db2.gz	XVCFHCLVEMERHO-UHFFFAOYSA-N	-1	0	293.290	0.876	20	30		CCEDRM
COc1ccc(C(=O)Nc2nc(C#N)c(C#N)[n-]2)nc1	ZINC000359982254	356930410	/nfs/dbraw/zinc/93/04/10/356930410.db2.gz	VRKZYZCGEHEXON-UHFFFAOYSA-N	-1	0	268.236	0.809	20	30		CCEDRM
CCCCN(CCO)C(=O)N=c1[n-]n(C)cc1C#N	ZINC000610527975	363572768	/nfs/dbraw/zinc/57/27/68/363572768.db2.gz	CRXOZFKAVPROTK-UHFFFAOYSA-N	-1	0	265.317	0.340	20	30		CCEDRM
CCC(O)(CC)CNC(=O)N=c1[n-]n(C)cc1C#N	ZINC000610528182	363572874	/nfs/dbraw/zinc/57/28/74/363572874.db2.gz	UOBHXBLMEMNKNF-UHFFFAOYSA-N	-1	0	265.317	0.386	20	30		CCEDRM
Cn1cc(C#N)c(=NC(=O)NC[C@H]2CCCCO2)[n-]1	ZINC000610562396	363575979	/nfs/dbraw/zinc/57/59/79/363575979.db2.gz	RPMJZCWWHPWBAD-SNVBAGLBSA-N	-1	0	263.301	0.404	20	30		CCEDRM
COC[C@H](C)CNC(=O)N=c1[n-]n(C)cc1C#N	ZINC000610565581	363581161	/nfs/dbraw/zinc/58/11/61/363581161.db2.gz	ZKQKYHQABOHROY-MRVPVSSYSA-N	-1	0	251.290	0.118	20	30		CCEDRM
Cc1[n-][nH]c(=NC(=O)c2cnc3n2CCCC3)c1C#N	ZINC000377241917	357557525	/nfs/dbraw/zinc/55/75/25/357557525.db2.gz	KMHUFUZYSMFJBH-UHFFFAOYSA-N	-1	0	270.296	0.797	20	30		CCEDRM
N#CCC1(CNS(=O)(=O)[N-]CC(F)(F)F)CC1	ZINC000404141774	357817088	/nfs/dbraw/zinc/81/70/88/357817088.db2.gz	ZFKWWXBDIIUVNP-UHFFFAOYSA-N	-1	0	271.264	0.667	20	30		CCEDRM
CN(CCOCC1CC1)C(=O)N=c1[n-]n(C)cc1C#N	ZINC000610674787	363596150	/nfs/dbraw/zinc/59/61/50/363596150.db2.gz	QRXUIQVNXNJDKP-UHFFFAOYSA-N	-1	0	277.328	0.604	20	30		CCEDRM
CN(CCC(=O)[O-])C(=O)C(=O)N1CCC(CCC#N)CC1	ZINC000563145108	358556679	/nfs/dbraw/zinc/55/66/79/358556679.db2.gz	ZINTXUAJZJIZFB-UHFFFAOYSA-N	-1	0	295.339	0.462	20	30		CCEDRM
C=CCNc1ncc(C(=O)N2CC[C@@H](C(=O)[O-])C2)s1	ZINC000565595895	358563454	/nfs/dbraw/zinc/56/34/54/358563454.db2.gz	DQCBKCXKUICTCU-MRVPVSSYSA-N	-1	0	281.337	0.710	20	30		CCEDRM
C=C[C@@H]1OCC[C@H]1CNC(=O)N=c1[n-]nc2ccccn21	ZINC000572237706	358928798	/nfs/dbraw/zinc/92/87/98/358928798.db2.gz	KBELDAPEFQKVRG-QWRGUYRKSA-N	-1	0	287.323	0.864	20	30		CCEDRM
Cc1noc(C(C)(C)NC(=O)N=c2[n-]n(C)cc2C#N)n1	ZINC000585798076	359277418	/nfs/dbraw/zinc/27/74/18/359277418.db2.gz	MFAISPRQGSOBHJ-UHFFFAOYSA-N	-1	0	289.299	0.462	20	30		CCEDRM
C[C@H]1COCC[C@H]1CNC(=O)N=c1[n-]n(C)cc1C#N	ZINC000588259041	359319435	/nfs/dbraw/zinc/31/94/35/359319435.db2.gz	VJQDVBUYBVGIIS-UWVGGRQHSA-N	-1	0	277.328	0.508	20	30		CCEDRM
Cn1cc(C#N)c(=NC(=O)N2CCOCC(F)(F)C2)[n-]1	ZINC000589002131	359355800	/nfs/dbraw/zinc/35/58/00/359355800.db2.gz	NVEZWEWCTCOVCJ-UHFFFAOYSA-N	-1	0	285.254	0.213	20	30		CCEDRM
N#Cc1cc(O)cc(C(=O)NCc2n[nH]c(=O)[n-]2)c1	ZINC000589188492	359367788	/nfs/dbraw/zinc/36/77/88/359367788.db2.gz	CXVUSZNPINXVRW-UHFFFAOYSA-N	-1	0	259.225	0.018	20	30		CCEDRM
Cn1cc(C#N)c(=NC(=O)NCCCc2nccs2)[n-]1	ZINC000589332436	359379255	/nfs/dbraw/zinc/37/92/55/359379255.db2.gz	FHIJROLYRDLZDF-UHFFFAOYSA-N	-1	0	290.352	0.924	20	30		CCEDRM
COC(=O)Cc1cccc(C(=O)N=c2[nH][n-]c(C)c2C#N)c1	ZINC000588716014	359333046	/nfs/dbraw/zinc/33/30/46/359333046.db2.gz	FMZNUFATLFALTO-UHFFFAOYSA-N	-1	0	298.302	0.980	20	30		CCEDRM
C=CC[C@H](CO)NC(=O)NC[C@H](C(=O)[O-])C(C)C	ZINC000655893575	412683646	/nfs/dbraw/zinc/68/36/46/412683646.db2.gz	FZWFBPRLKPVLDS-ZJUUUORDSA-N	-1	0	258.318	0.579	20	30		CCEDRM
Cn1cc(C#N)c(=NC(=O)N2CC[C@H](O)C23CCCC3)[n-]1	ZINC000590121414	359425181	/nfs/dbraw/zinc/42/51/81/359425181.db2.gz	KGNJZYZBVOJTKG-NSHDSACASA-N	-1	0	289.339	0.625	20	30		CCEDRM
C[C@@H](NC(=O)N=c1[n-]n(C)cc1C#N)c1cn[nH]c1	ZINC000611140975	363664407	/nfs/dbraw/zinc/66/44/07/363664407.db2.gz	QCZJPSLXMKSWTJ-SSDOTTSWSA-N	-1	0	259.273	0.319	20	30		CCEDRM
CC[C@H]1CC[C@H](C(=O)[O-])N1S(=O)(=O)CC1(C#N)CC1	ZINC000592447011	359842791	/nfs/dbraw/zinc/84/27/91/359842791.db2.gz	CBROKFQNNNBJPV-VHSXEESVSA-N	-1	0	286.353	0.948	20	30		CCEDRM
CC[C@H](NC(=O)C(=O)Nc1cccc(CC#N)c1)C(=O)[O-]	ZINC000592423657	359836093	/nfs/dbraw/zinc/83/60/93/359836093.db2.gz	CJTTUYFVDUSSOJ-NSHDSACASA-N	-1	0	289.291	0.671	20	30		CCEDRM
Cc1c(C#N)c(=NC(=O)[C@@H]2O[C@H](C)C[C@H]2C)[n-]n1C	ZINC000592649245	359909551	/nfs/dbraw/zinc/90/95/51/359909551.db2.gz	LYVIPVOUWSDFSK-SOCHQFKDSA-N	-1	0	262.313	0.774	20	30		CCEDRM
C[C@H]1C[C@H](NC(=O)N=c2[n-]n(C)cc2C#N)CCO1	ZINC000611283190	363700864	/nfs/dbraw/zinc/70/08/64/363700864.db2.gz	LIUXTFNANAVGDR-WCBMZHEXSA-N	-1	0	263.301	0.403	20	30		CCEDRM
N#CC[C@]1(O)CCN(C(=O)c2cc([N+](=O)[O-])ccc2[O-])C1	ZINC000592848463	359954302	/nfs/dbraw/zinc/95/43/02/359954302.db2.gz	XKPAESBRXXRSGI-ZDUSSCGKSA-N	-1	0	291.263	0.791	20	30		CCEDRM
CC#CC[C@H](CO)NC(=O)c1ccc([N+](=O)[O-])cc1[O-]	ZINC000592923756	359982488	/nfs/dbraw/zinc/98/24/88/359982488.db2.gz	GZQAAORHGITXHD-SECBINFHSA-N	-1	0	278.264	0.805	20	30		CCEDRM
C[C@H](C#N)CN(C)S(=O)(=O)N1CC[C@@H](C(=O)[O-])[C@@H]1C	ZINC000593271274	360058752	/nfs/dbraw/zinc/05/87/52/360058752.db2.gz	GFPHRPPTEQUNRY-KXUCPTDWSA-N	-1	0	289.357	0.118	20	30		CCEDRM
COC1(C)CCN(C(=O)N=c2[n-]n(C)cc2C#N)CC1	ZINC000611388805	363712183	/nfs/dbraw/zinc/71/21/83/363712183.db2.gz	GPKSYPBYYUWVIT-UHFFFAOYSA-N	-1	0	277.328	0.746	20	30		CCEDRM
Cc1[nH]nc(C(=O)N2CCSC[C@@H]2C#N)c1[O-]	ZINC000611407416	363713373	/nfs/dbraw/zinc/71/33/73/363713373.db2.gz	IRAFOEGVEHHALB-ZETCQYMHSA-N	-1	0	252.299	0.505	20	30		CCEDRM
N#Cc1ccccc1S(=O)(=O)N[C@H](CCF)C(=O)[O-]	ZINC000594573146	360332889	/nfs/dbraw/zinc/33/28/89/360332889.db2.gz	GVDIWQBTAMGDGO-SECBINFHSA-N	-1	0	286.284	0.649	20	30		CCEDRM
CC(C)[C@@H](CNC(=O)C(=O)NCCCCC#N)C(=O)[O-]	ZINC000594530004	360326519	/nfs/dbraw/zinc/32/65/19/360326519.db2.gz	ORPJSIPPZBOZND-SNVBAGLBSA-N	-1	0	283.328	0.269	20	30		CCEDRM
C[C@H](NC(=O)N=c1[n-]n(C)cc1C#N)[C@H]1CCCOC1	ZINC000611557546	363738236	/nfs/dbraw/zinc/73/82/36/363738236.db2.gz	XAVIVPYIKMWUER-UWVGGRQHSA-N	-1	0	277.328	0.650	20	30		CCEDRM
C[C@@H](CC#N)N(C)C(=O)C(=O)Nc1cccnc1C(=O)[O-]	ZINC000595237936	360454408	/nfs/dbraw/zinc/45/44/08/360454408.db2.gz	KSTUVYKWLDATRP-QMMMGPOBSA-N	-1	0	290.279	0.479	20	30		CCEDRM
CC(C)(CC#N)CNC(=O)N1C[C@@H]2COC[C@]2(C(=O)[O-])C1	ZINC000595262517	360465448	/nfs/dbraw/zinc/46/54/48/360465448.db2.gz	JROBHLQJLWICTQ-QMTHXVAHSA-N	-1	0	295.339	0.669	20	30		CCEDRM
Cc1cc(C#N)cc(N[C@@H]2C[C@@H](C(=O)[O-])C[C@H]2O)n1	ZINC000595977384	360753789	/nfs/dbraw/zinc/75/37/89/360753789.db2.gz	GDMKWYVVJSPCNH-GMTAPVOTSA-N	-1	0	261.281	0.898	20	30		CCEDRM
C[C@H](C#N)CN(C)C(=O)c1cc(S(N)(=O)=O)ccc1[O-]	ZINC000596893577	360975677	/nfs/dbraw/zinc/97/56/77/360975677.db2.gz	JHBQQDNCNGJPPI-MRVPVSSYSA-N	-1	0	297.336	0.271	20	30		CCEDRM
C[C@@H](C(=O)N=c1[nH][n-]c(C2CC2)c1C#N)n1cncn1	ZINC000564001233	291262744	/nfs/dbraw/zinc/26/27/44/291262744.db2.gz	SDJGIJNKTHIIMS-ZETCQYMHSA-N	-1	0	271.284	0.372	20	30		CCEDRM
CSc1[n-]c(=O)c(C(=O)N[C@H]2C[C@H](O)C2)cc1C#N	ZINC000598529687	361439518	/nfs/dbraw/zinc/43/95/18/361439518.db2.gz	KPLCGYLGCQJHRM-ZKCHVHJHSA-N	-1	0	279.321	0.634	20	30		CCEDRM
CCOCCn1cc(C(=O)Nc2nc(C#N)c(C#N)[n-]2)cn1	ZINC000598664083	361474580	/nfs/dbraw/zinc/47/45/80/361474580.db2.gz	YJJPGCHVIPINNZ-UHFFFAOYSA-N	-1	0	299.294	0.638	20	30		CCEDRM
N#CC[C@@H]1CC[C@H](NC(=O)N2CC(C(=O)[O-])C2)C1	ZINC000598684492	361482782	/nfs/dbraw/zinc/48/27/82/361482782.db2.gz	RJXONRVLHIKZGL-WPRPVWTQSA-N	-1	0	251.286	0.795	20	30		CCEDRM
C=CCN(C(=O)C(=O)NC[C@H](C)C(=O)[O-])C1CC1	ZINC000656001919	412729371	/nfs/dbraw/zinc/72/93/71/412729371.db2.gz	PIYSIPGWXAFHAF-QMMMGPOBSA-N	-1	0	254.286	0.000	20	30		CCEDRM
COCCN(CCC#N)C(=O)N=c1nc2ccccn2[n-]1	ZINC000612760205	364007695	/nfs/dbraw/zinc/00/76/95/364007695.db2.gz	BCIBBKVZICJHAU-UHFFFAOYSA-N	-1	0	288.311	0.545	20	30		CCEDRM
N#CC1(CS(=O)(=O)N2CCC[C@H]2CC(=O)[O-])CC1	ZINC000614382621	364588982	/nfs/dbraw/zinc/58/89/82/364588982.db2.gz	ZCAPBKVYJOSHQL-VIFPVBQESA-N	-1	0	272.326	0.559	20	30		CCEDRM
C=C[C@](C)(O)C(=O)N1CCC[C@@H](c2n[nH]c(=O)[n-]2)C1	ZINC000614518673	364646958	/nfs/dbraw/zinc/64/69/58/364646958.db2.gz	KELMNCDYJLQCPE-PELKAZGASA-N	-1	0	266.301	0.153	20	30		CCEDRM
C=C(C)C[C@@H](NC(C)=O)C(=O)N=c1nc(C)[n-]s1	ZINC000622816447	367370859	/nfs/dbraw/zinc/37/08/59/367370859.db2.gz	CKUQHJUIRZCVDB-SECBINFHSA-N	-1	0	268.342	0.678	20	30		CCEDRM
CC(C)(CC#N)CS(=O)(=O)NCCCC(=O)[O-]	ZINC000574206582	335000807	/nfs/dbraw/zinc/00/08/07/335000807.db2.gz	YRLRVQBXHNGZDS-UHFFFAOYSA-N	-1	0	262.331	0.710	20	30		CCEDRM
C=CC[C@@H]1CCN(C(=O)C(=O)NC[C@@H](C(=O)[O-])C(C)C)C1	ZINC000627279404	368942224	/nfs/dbraw/zinc/94/22/24/368942224.db2.gz	MKJZKGYNIAPXIV-VXGBXAGGSA-N	-1	0	296.367	0.884	20	30		CCEDRM
C=CC[C@@H]1CCN(C(=O)C(=O)N=c2ncn(C(C)C)[n-]2)C1	ZINC000627733224	369085930	/nfs/dbraw/zinc/08/59/30/369085930.db2.gz	OMOSWTOWFLOSAU-LLVKDONJSA-N	-1	0	291.355	0.644	20	30		CCEDRM
C=CC[C@H](NS(=O)(=O)C[C@@H](OCC)C1CC1)C(=O)[O-]	ZINC000629295215	369623329	/nfs/dbraw/zinc/62/33/29/369623329.db2.gz	GPPKDWPHJCMGOF-WDEREUQCSA-N	-1	0	291.369	0.750	20	30		CCEDRM
C=CC[C@H]1CCN(C(=O)C(=O)N(C)C[C@@H](C)C(=O)[O-])C1	ZINC000629780654	369773366	/nfs/dbraw/zinc/77/33/66/369773366.db2.gz	SYVSXYFFGILZLT-MNOVXSKESA-N	-1	0	282.340	0.590	20	30		CCEDRM
C=CCOC[C@@H](NC(=O)c1nocc1C)C(=O)[O-]	ZINC000630188123	369997096	/nfs/dbraw/zinc/99/70/96/369997096.db2.gz	UTXJMZLHVGWVHJ-MRVPVSSYSA-N	-1	0	254.242	0.369	20	30		CCEDRM
C=C(C)C[C@H](NC(=O)CNC(=O)C(C)(C)C)C(=O)[O-]	ZINC000630319044	370045909	/nfs/dbraw/zinc/04/59/09/370045909.db2.gz	QYAASCWSCONCLK-VIFPVBQESA-N	-1	0	270.329	0.684	20	30		CCEDRM
C=C(C)C[C@H](NC(=O)c1noc2c1COCC2)C(=O)[O-]	ZINC000630320760	370046862	/nfs/dbraw/zinc/04/68/62/370046862.db2.gz	BNEMGGJWUYLNJQ-VIFPVBQESA-N	-1	0	280.280	0.897	20	30		CCEDRM
C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)[C@@H]1C[C@H]1C(=O)[O-]	ZINC000630302965	370037797	/nfs/dbraw/zinc/03/77/97/370037797.db2.gz	NDZKZBLLIOKUEW-DBIOUOCHSA-N	-1	0	253.298	0.805	20	30		CCEDRM
C=C(C)C[C@@H](NC(=O)COC[C@@H]1CCCO1)C(=O)[O-]	ZINC000630325792	370047785	/nfs/dbraw/zinc/04/77/85/370047785.db2.gz	LRYMKAGONBUMAC-WDEREUQCSA-N	-1	0	271.313	0.718	20	30		CCEDRM
C=CCCOCC(=O)N1C[C@@H](OC)C[C@]1(C)C(=O)[O-]	ZINC000630308539	370040641	/nfs/dbraw/zinc/04/06/41/370040641.db2.gz	DXWKJWHZHOEQGD-GXFFZTMASA-N	-1	0	271.313	0.670	20	30		CCEDRM
C=CCC[C@H](NC(=O)Cc1ccnn1C)C(=O)[O-]	ZINC000630181649	369994173	/nfs/dbraw/zinc/99/41/73/369994173.db2.gz	JZJTUKRBMRJNOH-JTQLQIEISA-N	-1	0	251.286	0.498	20	30		CCEDRM
C=CCOC[C@H](NC(=O)CCc1ccncc1)C(=O)[O-]	ZINC000630185681	369995142	/nfs/dbraw/zinc/99/51/42/369995142.db2.gz	FSDBXCXMTHHGKV-LBPRGKRZSA-N	-1	0	278.308	0.786	20	30		CCEDRM
C=CCCn1cc(CN=c2[n-]nc(CCO)s2)nn1	ZINC000630963565	370341635	/nfs/dbraw/zinc/34/16/35/370341635.db2.gz	XVGZJXLZMRFDDA-UHFFFAOYSA-N	-1	0	280.357	0.275	20	30		CCEDRM
C=CCN(CCc1ccco1)C(=O)CCc1nnn[n-]1	ZINC000632337890	370993471	/nfs/dbraw/zinc/99/34/71/370993471.db2.gz	ZIFMMJUYOGLAGN-UHFFFAOYSA-N	-1	0	275.312	0.983	20	30		CCEDRM
C[C@@H]1CN(S(=O)(=O)c2ccccc2C#N)C[C@H]1C(=O)[O-]	ZINC000235369514	189827462	/nfs/dbraw/zinc/82/74/62/189827462.db2.gz	HTRKRIYRSQLYSQ-MWLCHTKSSA-N	-1	0	294.332	0.899	20	30		CCEDRM
C=CCN(C(=O)C[C@@]1(C(=O)[O-])CCOC1)[C@H](C)COC	ZINC000634929710	372299727	/nfs/dbraw/zinc/29/97/27/372299727.db2.gz	QQQWEABMUQOWFQ-RISCZKNCSA-N	-1	0	285.340	0.917	20	30		CCEDRM
C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)CCCc1nnn[n-]1	ZINC000635890053	373059162	/nfs/dbraw/zinc/05/91/62/373059162.db2.gz	PYZXRNIGNRYDIS-MFKMUULPSA-N	-1	0	279.344	0.620	20	30		CCEDRM
C=CCOCCCNC(=O)N[C@@H](C(=O)[O-])c1ccn(C)n1	ZINC000656595193	412833329	/nfs/dbraw/zinc/83/33/29/412833329.db2.gz	DTWNCPCBKXRTIE-LLVKDONJSA-N	-1	0	296.327	0.438	20	30		CCEDRM
C=CCOC[C@H](NC(=O)NCCc1ccoc1)C(=O)[O-]	ZINC000656594781	412833504	/nfs/dbraw/zinc/83/35/04/412833504.db2.gz	XDGXOTFXWWHWMK-NSHDSACASA-N	-1	0	282.296	0.777	20	30		CCEDRM
C=CCCCCNC(=O)N=c1ccc(C(=O)NC)n[n-]1	ZINC000640338887	376330920	/nfs/dbraw/zinc/33/09/20/376330920.db2.gz	SQAPUPWQZPOIIA-UHFFFAOYSA-N	-1	0	277.328	0.736	20	30		CCEDRM
C=CCCC[C@@H](C)NC(=O)C(=O)N1CCO[C@H](C(=O)[O-])C1	ZINC000643162965	377721085	/nfs/dbraw/zinc/72/10/85/377721085.db2.gz	OHHQFCUIUGFAIG-MNOVXSKESA-N	-1	0	298.339	0.159	20	30		CCEDRM
CC(=O)N[C@@H](C(=O)N=c1[nH][n-]c(C2CC2)c1C#N)C(C)C	ZINC000571237661	291801194	/nfs/dbraw/zinc/80/11/94/291801194.db2.gz	NYAMAAJIXNELMK-LLVKDONJSA-N	-1	0	289.339	0.680	20	30		CCEDRM
CCN(CC(=O)[O-])S(=O)(=O)N(CC)C[C@H](C)C#N	ZINC000575049536	335058910	/nfs/dbraw/zinc/05/89/10/335058910.db2.gz	FRNUDTILADBDSD-SECBINFHSA-N	-1	0	277.346	0.119	20	30		CCEDRM
CC(C)(C)C(=O)NCC(=O)Nc1nc(C#N)c(C#N)[n-]1	ZINC000026272119	388821071	/nfs/dbraw/zinc/82/10/71/388821071.db2.gz	IGPRMXKFABOZEL-UHFFFAOYSA-N	-1	0	274.284	0.254	20	30		CCEDRM
C#CCO[N-]C(=O)[C@@H](NC(=O)c1ccco1)C(C)C	ZINC000291288869	388920157	/nfs/dbraw/zinc/92/01/57/388920157.db2.gz	PHPQAIJLARIVJO-NSHDSACASA-N	-1	0	264.281	0.715	20	30		CCEDRM
C#CCO[N-]C(=O)[C@H]1CCCN1C(=O)Cc1ccccc1	ZINC000291317047	388920354	/nfs/dbraw/zinc/92/03/54/388920354.db2.gz	SFFAEBQHIIQNRR-CQSZACIVSA-N	-1	0	286.331	0.901	20	30		CCEDRM
C=CCn1c(=N)[n-]nc1SCCN1C[C@H]2CC[C@@H](C1)O2	ZINC000359773503	389183423	/nfs/dbraw/zinc/18/34/23/389183423.db2.gz	PJLCMGRUCUMWMK-PHIMTYICSA-N	-1	0	295.412	0.832	20	30		CCEDRM
C=CCn1c(=N)[n-]nc1SCC(=O)NC1(C#N)CCC1	ZINC000343835596	389274006	/nfs/dbraw/zinc/27/40/06/389274006.db2.gz	SPDLTEQPCCDISF-UHFFFAOYSA-N	-1	0	292.368	0.531	20	30		CCEDRM
C=C[C@@H]1OCC[C@H]1C(=O)[N-]S(=O)(=O)C1(CC)CC1	ZINC000408498445	389370400	/nfs/dbraw/zinc/37/04/00/389370400.db2.gz	TVORLNYFPXGBAZ-ZJUUUORDSA-N	-1	0	273.354	0.966	20	30		CCEDRM
Cc1cc([N-]S(=O)(=O)c2cnn(C)c2)nn1CCC#N	ZINC000348891460	389395094	/nfs/dbraw/zinc/39/50/94/389395094.db2.gz	XZVMMKCRROFLJP-UHFFFAOYSA-N	-1	0	294.340	0.640	20	30		CCEDRM
Cc1cnn(C)c1S(=O)(=O)[N-]c1n[nH]cc1C#N	ZINC000350125736	389490644	/nfs/dbraw/zinc/49/06/44/389490644.db2.gz	SICFTAGHZHIBLN-UHFFFAOYSA-N	-1	0	266.286	0.124	20	30		CCEDRM
N#C[C@H]1CN(C(=O)N=c2cccn[n-]2)CCN1C1CC1	ZINC000371985372	389441064	/nfs/dbraw/zinc/44/10/64/389441064.db2.gz	SBRLVOYGDIIHGM-NSHDSACASA-N	-1	0	272.312	0.103	20	30		CCEDRM
C=CCN(CC(=O)[O-])C(=O)[C@H]1CC12CCOCC2	ZINC000372923027	389460291	/nfs/dbraw/zinc/46/02/91/389460291.db2.gz	UAWYIQGAKAHLTD-SNVBAGLBSA-N	-1	0	253.298	0.902	20	30		CCEDRM
COc1cccc(S([O-])=CC(=O)N[C@H](C)C#N)c1	ZINC000424620415	389627494	/nfs/dbraw/zinc/62/74/94/389627494.db2.gz	VACXZKNOTYORHJ-DYBLOJMWSA-N	-1	0	266.322	0.831	20	30		CCEDRM
C=C(C)COCCNC(=O)N[C@@H](CC(F)F)C(=O)[O-]	ZINC000388459154	389770113	/nfs/dbraw/zinc/77/01/13/389770113.db2.gz	BOWAKJVMFNVAPD-QMMMGPOBSA-N	-1	0	280.271	0.987	20	30		CCEDRM
COCc1n[n-]c(S(=O)(=O)Cc2ccccc2C#N)n1	ZINC000429877563	389773110	/nfs/dbraw/zinc/77/31/10/389773110.db2.gz	MDXKCTRYRKSNHA-UHFFFAOYSA-N	-1	0	292.320	0.797	20	30		CCEDRM
CN=c1[n-]nc(CC(=O)N(C)C2(C#N)CCC2)s1	ZINC000352414000	389806897	/nfs/dbraw/zinc/80/68/97/389806897.db2.gz	CXCAHKTVCCPWNW-UHFFFAOYSA-N	-1	0	265.342	0.449	20	30		CCEDRM
Cc1[n-][nH]c(=NC(=O)c2cccc(-n3cncn3)c2)c1C#N	ZINC000431672105	389864128	/nfs/dbraw/zinc/86/41/28/389864128.db2.gz	GCJRTPOBELMRJU-UHFFFAOYSA-N	-1	0	293.290	0.845	20	30		CCEDRM
C=CCn1cccc1C(=O)NCCc1nc(=O)o[n-]1	ZINC000447629207	389960158	/nfs/dbraw/zinc/96/01/58/389960158.db2.gz	JZGOONNEHCJOFQ-UHFFFAOYSA-N	-1	0	262.269	0.323	20	30		CCEDRM
COC(=O)c1ccc(S(=O)(=O)N[C@H](C)C#N)cc1F	ZINC000446795565	389941510	/nfs/dbraw/zinc/94/15/10/389941510.db2.gz	WUYBZWBWPYORGW-SSDOTTSWSA-N	-1	0	286.284	0.803	20	30		CCEDRM
C#CCO[N-]C(=O)[C@H](C)NC(=O)/C=C\c1ccccc1	ZINC000493024619	390118741	/nfs/dbraw/zinc/11/87/41/390118741.db2.gz	NLLYFNLURHZUBO-PRDAAYKISA-N	-1	0	272.304	0.886	20	30		CCEDRM
COc1cc(C)cnc1C(=O)N=c1[n-]n(C)cc1C#N	ZINC000489883907	390102550	/nfs/dbraw/zinc/10/25/50/390102550.db2.gz	JCZFNNREGPVMET-UHFFFAOYSA-N	-1	0	271.280	0.678	20	30		CCEDRM
CC#CCS(=O)(=O)[N-]C(=O)/C=C/c1cncc(F)c1	ZINC000493392819	390124571	/nfs/dbraw/zinc/12/45/71/390124571.db2.gz	SIMCCVMPUAIJJM-SNAWJCMRSA-N	-1	0	282.296	0.703	20	30		CCEDRM
C=CCn1cc(C(=O)N2CCC[C@@H](C)[C@@H]2C(=O)[O-])nn1	ZINC000647743676	390156779	/nfs/dbraw/zinc/15/67/79/390156779.db2.gz	VVCPIHFDGHTEKM-MWLCHTKSSA-N	-1	0	278.312	0.789	20	30		CCEDRM
CC#CC[C@@H](NS(=O)(=O)CCC(F)(F)F)C(=O)[O-]	ZINC000579481298	390178472	/nfs/dbraw/zinc/17/84/72/390178472.db2.gz	ZQDQNQWOEORJQF-SSDOTTSWSA-N	-1	0	287.259	0.725	20	30		CCEDRM
C[C@@H](C#N)CNC(=O)C(=O)N=c1nc(C(C)(C)C)[n-]s1	ZINC000539210796	390202603	/nfs/dbraw/zinc/20/26/03/390202603.db2.gz	GVAJYQYEVLEBMU-ZETCQYMHSA-N	-1	0	295.368	0.472	20	30		CCEDRM
C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)NC1(C(=O)[O-])CC1	ZINC000562975991	390492008	/nfs/dbraw/zinc/49/20/08/390492008.db2.gz	ZQIMVWNTUULLSJ-ZJUUUORDSA-N	-1	0	268.313	0.884	20	30		CCEDRM
C=C[C@@H]1OCCC[C@H]1C(=O)NC(C)(C)c1nnn[n-]1	ZINC000564843455	390497240	/nfs/dbraw/zinc/49/72/40/390497240.db2.gz	YHXYWSDTJWVLLU-BDAKNGLRSA-N	-1	0	265.317	0.532	20	30		CCEDRM
C[C@H]1CCN(S(=O)(=O)CCC#N)C[C@@H]1C(=O)[O-]	ZINC000565363152	390507268	/nfs/dbraw/zinc/50/72/68/390507268.db2.gz	ILCYKCXQPKOKBD-IUCAKERBSA-N	-1	0	260.315	0.272	20	30		CCEDRM
C=C(C)CS(=O)(=O)N(CCOCC)C[C@@H](C)C(=O)[O-]	ZINC000514934695	390470727	/nfs/dbraw/zinc/47/07/27/390470727.db2.gz	PXPQCQLVYCUUNK-LLVKDONJSA-N	-1	0	293.385	0.952	20	30		CCEDRM
C=CC[C@@H](NS(=O)(=O)C[C@@H](C)COCC)C(=O)[O-]	ZINC000646041020	390580189	/nfs/dbraw/zinc/58/01/89/390580189.db2.gz	INQCHENRMWJXBJ-VHSXEESVSA-N	-1	0	279.358	0.608	20	30		CCEDRM
CC[C@@H](C(=O)[O-])N(C)S(=O)(=O)N(CC)C[C@H](C)C#N	ZINC000569228029	390715982	/nfs/dbraw/zinc/71/59/82/390715982.db2.gz	ZQIVFMILLFFPRS-ZJUUUORDSA-N	-1	0	291.373	0.508	20	30		CCEDRM
CCC(C#N)(CC)C(=O)[N-]S(=O)(=O)N1CCOCC1	ZINC000528958948	390785599	/nfs/dbraw/zinc/78/55/99/390785599.db2.gz	VRHMRPARSBXSBX-UHFFFAOYSA-N	-1	0	289.357	0.010	20	30		CCEDRM
CCC(C#N)(CC)C(=O)[N-]S(=O)(=O)c1c(C)cnn1C	ZINC000529018145	390787392	/nfs/dbraw/zinc/78/73/92/390787392.db2.gz	AHPFLMWKHNAXDW-UHFFFAOYSA-N	-1	0	298.368	0.863	20	30		CCEDRM
COCc1nc(=NC(=O)C2(C#N)CCC2)s[n-]1	ZINC000331751693	533271936	/nfs/dbraw/zinc/27/19/36/533271936.db2.gz	GCZKDROURCPPRG-UHFFFAOYSA-N	-1	0	252.299	0.739	20	30		CCEDRM
C=CCCO[C@H](C)C(=O)N1C[C@@H](C)O[C@H](C(=O)[O-])C1	ZINC000262184351	131198611	/nfs/dbraw/zinc/19/86/11/131198611.db2.gz	GYBHRTLGJRDEPK-MXWKQRLJSA-N	-1	0	271.313	0.668	20	30		CCEDRM
C=CCCO[C@@H](C)C(=O)N[C@@]1(C(=O)[O-])CCOC1	ZINC000262197089	131200360	/nfs/dbraw/zinc/20/03/60/131200360.db2.gz	ZMGHJBQQGFRBIC-CABZTGNLSA-N	-1	0	257.286	0.328	20	30		CCEDRM
Cc1[n-][nH]c(=NC(=O)c2cncc(-n3ccnn3)c2)c1C#N	ZINC000357231669	144071305	/nfs/dbraw/zinc/07/13/05/144071305.db2.gz	LUNLALWWKNVKBB-UHFFFAOYSA-N	-1	0	294.278	0.240	20	30		CCEDRM
C=C(C)COCCNC(=O)N[C@@H](CCF)C(=O)[O-]	ZINC000649527617	397628432	/nfs/dbraw/zinc/62/84/32/397628432.db2.gz	OMOZSLGEMNFOFE-VIFPVBQESA-N	-1	0	262.281	0.691	20	30		CCEDRM
C=CCC1(C(=O)N=c2ccc(C(=O)NC)n[n-]2)CCC1	ZINC000650818266	397767305	/nfs/dbraw/zinc/76/73/05/397767305.db2.gz	CPGKRVPXRFCRHO-UHFFFAOYSA-N	-1	0	274.324	0.943	20	30		CCEDRM
N#Cc1ccc(C(=O)N2CCC[C@@H](c3n[nH]c(=O)[n-]3)C2)nc1	ZINC000551987740	286144092	/nfs/dbraw/zinc/14/40/92/286144092.db2.gz	YBVXECRDIRCTHQ-SNVBAGLBSA-N	-1	0	298.306	0.797	20	30		CCEDRM
C=CCOC[C@H](NC(=O)C[C@H](C)[C@H]1CCCO1)C(=O)[O-]	ZINC000659156547	413319125	/nfs/dbraw/zinc/31/91/25/413319125.db2.gz	NAQIQNOVMOFOIF-SDDRHHMPSA-N	-1	0	285.340	0.964	20	30		CCEDRM
C=CCC1(NC(=O)[C@@H]2CC[C@@H](C(=O)[O-])O2)CCOCC1	ZINC000659188224	413333670	/nfs/dbraw/zinc/33/36/70/413333670.db2.gz	CEWPZBRPTKLIDT-QWRGUYRKSA-N	-1	0	283.324	0.860	20	30		CCEDRM
C=CCOCCNC(=O)C1(C(=O)[O-])CCOCC1	ZINC000659226436	413343775	/nfs/dbraw/zinc/34/37/75/413343775.db2.gz	BXKFGKNQWYPDBF-UHFFFAOYSA-N	-1	0	257.286	0.187	20	30		CCEDRM
C[C@@H]1CO[C@@H](C)CN1S(=O)(=O)[N-]c1nn(C)cc1C#N	ZINC000340947219	297159812	/nfs/dbraw/zinc/15/98/12/297159812.db2.gz	GMSYILWJGDUNHP-BDAKNGLRSA-N	-1	0	299.356	0.058	20	30		CCEDRM
CC[C@@H](C)N(CC(=O)[O-])S(=O)(=O)N(C)CCC#N	ZINC000348966482	286773012	/nfs/dbraw/zinc/77/30/12/286773012.db2.gz	PEKXZYZRCZBBMM-SECBINFHSA-N	-1	0	277.346	0.262	20	30		CCEDRM
C=CCOC[C@H](NC(=O)C[C@H](OC)C(F)(F)F)C(=O)[O-]	ZINC000652070962	411985870	/nfs/dbraw/zinc/98/58/70/411985870.db2.gz	BZUFXEXDGAXHPP-YUMQZZPRSA-N	-1	0	299.245	0.726	20	30		CCEDRM
C=CCOC[C@@H](NC(=O)c1n[nH]c2c1CCCC2)C(=O)[O-]	ZINC000653658569	412330449	/nfs/dbraw/zinc/33/04/49/412330449.db2.gz	RTFJVPKVFCVHQO-LLVKDONJSA-N	-1	0	293.323	0.674	20	30		CCEDRM
CC[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)[O-]	ZINC000035085811	171973517	/nfs/dbraw/zinc/97/35/17/171973517.db2.gz	LMGLAOGDRBJAFR-SNVBAGLBSA-N	-1	0	268.294	0.700	20	30		CCEDRM
C=CCOc1ccccc1C(=O)N[C@H](CO)C(=O)[O-]	ZINC000037451327	173217458	/nfs/dbraw/zinc/21/74/58/173217458.db2.gz	ZDEYAKDEIHOKPF-SNVBAGLBSA-N	-1	0	265.265	0.427	20	30		CCEDRM
C=CCOCC(=O)NC1(CC(=O)[O-])CCOCC1	ZINC000663122579	414995522	/nfs/dbraw/zinc/99/55/22/414995522.db2.gz	JJRHVKAOXQIILQ-UHFFFAOYSA-N	-1	0	257.286	0.329	20	30		CCEDRM
C=CCOCCNS(=O)(=O)c1cc(C(=O)[O-])c(C)o1	ZINC000663429338	415063865	/nfs/dbraw/zinc/06/38/65/415063865.db2.gz	AYQQAFLAFBWYIL-UHFFFAOYSA-N	-1	0	289.309	0.767	20	30		CCEDRM
CCO[N-]C(=O)CS(=O)(=O)Cc1ccc(C#N)cc1	ZINC000045013593	175290444	/nfs/dbraw/zinc/29/04/44/175290444.db2.gz	CVEDJHWCCWXGHB-UHFFFAOYSA-N	-1	0	282.321	0.541	20	30		CCEDRM
Cc1nn2c([n-]nc2SCC(=O)NCC2CC2)nc1=O	ZINC000329277440	227403188	/nfs/dbraw/zinc/40/31/88/227403188.db2.gz	CKEKFXBALNXLFZ-UHFFFAOYSA-N	-1	0	294.340	0.580	20	30		CCEDRM
O=C(N=c1cn[n-]s1)NCc1nnc2n1CCCC2	ZINC000330011571	228016706	/nfs/dbraw/zinc/01/67/06/228016706.db2.gz	JDNADGKCHFDPLK-UHFFFAOYSA-N	-1	0	279.329	0.992	20	30		CCEDRM
C=CCNC(=O)CNC(=O)c1c([O-])cc(F)cc1F	ZINC000181677063	544758877	/nfs/dbraw/zinc/75/88/77/544758877.db2.gz	YVWIMYFRRSNZHI-UHFFFAOYSA-N	-1	0	270.235	0.702	20	30		CCEDRM
C=CCCS(=O)(=O)N1CCC(F)(F)[C@H](C(=O)[O-])C1	ZINC000285093162	544964307	/nfs/dbraw/zinc/96/43/07/544964307.db2.gz	LRQDUSAKBDOYCC-QMMMGPOBSA-N	-1	0	283.296	0.934	20	30		CCEDRM
C[C@@H](CC#N)N(C)S(=O)(=O)c1cc(C(=O)[O-])n(C)c1	ZINC000063087679	260237854	/nfs/dbraw/zinc/23/78/54/260237854.db2.gz	IMSUADLIDVYOKE-QMMMGPOBSA-N	-1	0	285.325	0.646	20	30		CCEDRM
CCn1nccc1/C=C/C(=O)[N-]S(=O)(=O)CCCC#N	ZINC000181256447	260575839	/nfs/dbraw/zinc/57/58/39/260575839.db2.gz	HALHXQHFJMEVAI-AATRIKPKSA-N	-1	0	296.352	0.666	20	30		CCEDRM
Cc1n[nH]cc1S(=O)(=O)[N-]c1ccn(CCC#N)n1	ZINC000117741067	260686741	/nfs/dbraw/zinc/68/67/41/260686741.db2.gz	WTBNGRSIODTFHY-UHFFFAOYSA-N	-1	0	280.313	0.629	20	30		CCEDRM
C=CCNC(=O)NC(=O)CN1CCC[C@H](C)[C@H]1C(=O)[O-]	ZINC000300294938	261190154	/nfs/dbraw/zinc/19/01/54/261190154.db2.gz	MATYUBKRPLQLQE-ONGXEEELSA-N	-1	0	283.328	0.183	20	30		CCEDRM
N#CCCCCS(=O)(=O)N1CCOC[C@H]1CC(=O)[O-]	ZINC000364419499	262236346	/nfs/dbraw/zinc/23/63/46/262236346.db2.gz	QHINVZLJAIWWSV-SNVBAGLBSA-N	-1	0	290.341	0.186	20	30		CCEDRM
CCN(CC#N)S(=O)(=O)c1ccc(OC)c(C(=O)[O-])c1	ZINC000273639991	263018840	/nfs/dbraw/zinc/01/88/40/263018840.db2.gz	DUTDSDHKUPWLFQ-UHFFFAOYSA-N	-1	0	298.320	0.928	20	30		CCEDRM
N#CCCCS(=O)(=O)N[C@H]1C=C[C@@H](C(=O)[O-])C1	ZINC000274926231	263031585	/nfs/dbraw/zinc/03/15/85/263031585.db2.gz	BPKKYNFZXLBSQQ-BDAKNGLRSA-N	-1	0	258.299	0.239	20	30		CCEDRM
CCC(=O)C[C@H](NS(=O)(=O)CCCC#N)C(=O)[O-]	ZINC000275032802	263032178	/nfs/dbraw/zinc/03/21/78/263032178.db2.gz	QFJDMCHOZMVBGE-VIFPVBQESA-N	-1	0	276.314	0.032	20	30		CCEDRM
COC[C@@H]1CN(C([O-])=Nc2c(C)ccn(C)c2=O)CCO1	ZINC000330965329	264090750	/nfs/dbraw/zinc/09/07/50/264090750.db2.gz	CHMWLHWHTWWGMB-NSHDSACASA-N	-1	0	295.339	0.586	20	30		CCEDRM
C=CC[C@@H](NS(=O)(=O)c1c[nH]nc1C)C(=O)[O-]	ZINC000161288100	264279583	/nfs/dbraw/zinc/27/95/83/264279583.db2.gz	XNEOOZYOHQQGHM-SSDOTTSWSA-N	-1	0	259.287	0.026	20	30		CCEDRM
N#CCCC[C@@H](N)C(=O)N=c1cc(C(F)(F)F)[n-][nH]1	ZINC000518973152	265266226	/nfs/dbraw/zinc/26/62/26/265266226.db2.gz	FAUSDEJTKIRKKF-ZCFIWIBFSA-N	-1	0	275.234	0.810	20	30		CCEDRM
C=C[C@H](CO)NC(=O)c1nn(-c2ccccc2F)cc1[O-]	ZINC000356843247	266187564	/nfs/dbraw/zinc/18/75/64/266187564.db2.gz	YCXDCTJJNHPWKD-SECBINFHSA-N	-1	0	291.282	0.994	20	30		CCEDRM
N#CCc1cccc(C(=O)NC2(c3nnn[n-]3)CC2)c1	ZINC000357071726	266241328	/nfs/dbraw/zinc/24/13/28/266241328.db2.gz	FUGOBMPAWICKOK-UHFFFAOYSA-N	-1	0	268.280	0.685	20	30		CCEDRM
N#Cc1nc(NC(=O)[C@H]2CSCCS2)[n-]c1C#N	ZINC000175191937	303216767	/nfs/dbraw/zinc/21/67/67/303216767.db2.gz	FIELFUNYZPBKAN-MRVPVSSYSA-N	-1	0	279.350	0.940	20	30		CCEDRM
O=C(N=c1[n-]ncs1)N[C@@H]1CCO[C@]2(CCOC2)C1	ZINC000329103164	303516511	/nfs/dbraw/zinc/51/65/11/303516511.db2.gz	FXYVGCFYUOJCAX-LDYMZIIASA-N	-1	0	284.341	0.624	20	30		CCEDRM
O=C(N=c1cn[n-]s1)N[C@@H]1CCCS(=O)(=O)C1	ZINC000330205219	304788044	/nfs/dbraw/zinc/78/80/44/304788044.db2.gz	CGJLBRXTPZERSV-ZCFIWIBFSA-N	-1	0	276.343	0.441	20	30		CCEDRM
C=CCOC[C@@H](NC(=O)NC[C@@H]1CCCS1)C(=O)[O-]	ZINC000570780358	327618590	/nfs/dbraw/zinc/61/85/90/327618590.db2.gz	FAVYBEKTQZTQCI-VHSXEESVSA-N	-1	0	288.369	0.837	20	30		CCEDRM
C=CCCCN(C)C(=O)C(=O)N1CC[C@H](C)[C@@H](C(=O)[O-])C1	ZINC000582063024	327826192	/nfs/dbraw/zinc/82/61/92/327826192.db2.gz	LSNHWCHHBXXURD-RYUDHWBXSA-N	-1	0	296.367	0.980	20	30		CCEDRM
C=C(C)COCCNC(=O)N=c1[n-]nc(OC)s1	ZINC000338454187	327981584	/nfs/dbraw/zinc/98/15/84/327981584.db2.gz	DPWDSAYWAQCYGC-UHFFFAOYSA-N	-1	0	272.330	0.683	20	30		CCEDRM
C=C(C)[C@@H]1OCC[C@H]1CNC(=O)N[C@]1(C(=O)[O-])CCOC1	ZINC000571617991	328138255	/nfs/dbraw/zinc/13/82/55/328138255.db2.gz	JBAOHMWBPLXBEO-COPLHBTASA-N	-1	0	298.339	0.511	20	30		CCEDRM
COC(=O)NCC(=O)[N-]S(=O)(=O)c1ccccc1C	ZINC000048426936	328308342	/nfs/dbraw/zinc/30/83/42/328308342.db2.gz	IOXBRJULFSBCFM-UHFFFAOYSA-N	-1	0	286.309	0.996	20	30		CCEDRM
CCNC(=O)[C@@H](C)/N=C(/[O-])Nc1c(C)ccn(C)c1=O	ZINC000331002691	328473146	/nfs/dbraw/zinc/47/31/46/328473146.db2.gz	RDJUHXIRJZWFDY-SECBINFHSA-N	-1	0	280.328	0.544	20	30		CCEDRM
C[C@H](Sc1n[nH]c(=O)[n-]1)C(=O)N(C)CCC#N	ZINC000194629644	328533388	/nfs/dbraw/zinc/53/33/88/328533388.db2.gz	FVJAFDMTQXFCQY-LURJTMIESA-N	-1	0	255.303	0.363	20	30		CCEDRM
C[C@H]1C[C@@H](C(=O)[O-])CCN1S(=O)(=O)CCCC#N	ZINC000530472304	326814732	/nfs/dbraw/zinc/81/47/32/326814732.db2.gz	GWWDAPNLEFVSHJ-UWVGGRQHSA-N	-1	0	274.342	0.805	20	30		CCEDRM
N#CCC(=O)Nc1cc(S(=O)(=O)NC2CC2)ccc1O	ZINC000357605740	327062771	/nfs/dbraw/zinc/06/27/71/327062771.db2.gz	KAXBFLALFZHMEL-UHFFFAOYSA-N	-1	0	295.320	0.685	20	30		CCEDRM
C=C(C)[C@H]1OCC[C@H]1C(=O)NC[C@@H](OC)C(=O)[O-]	ZINC000569490063	327185094	/nfs/dbraw/zinc/18/50/94/327185094.db2.gz	XUAYWIFNGKCDTP-OPRDCNLKSA-N	-1	0	257.286	0.183	20	30		CCEDRM
C=CCN(CC(=O)[O-])S(=O)(=O)N1C[C@H](C)C[C@@H](C)C1	ZINC000092463783	327208794	/nfs/dbraw/zinc/20/87/94/327208794.db2.gz	LZLUVABMWUSUEI-GHMZBOCLSA-N	-1	0	290.385	0.782	20	30		CCEDRM
CCN(CC(=O)[O-])S(=O)(=O)CC1(CC#N)CC1	ZINC000583444418	327368573	/nfs/dbraw/zinc/36/85/73/327368573.db2.gz	ZJWOSYJXEPDEIC-UHFFFAOYSA-N	-1	0	260.315	0.417	20	30		CCEDRM
COCc1nc(=NC(=O)c2ncc(C#N)cc2C)s[n-]1	ZINC000584401513	329456421	/nfs/dbraw/zinc/45/64/21/329456421.db2.gz	FVTFFBCHWLBDTN-UHFFFAOYSA-N	-1	0	289.320	0.934	20	30		CCEDRM
C[C@@H]1CN(C(=O)C(=O)NCC(C)(C)CC#N)C[C@H]1C(=O)[O-]	ZINC000420591215	329778503	/nfs/dbraw/zinc/77/85/03/329778503.db2.gz	WWUWFBLAHBHHHL-NXEZZACHSA-N	-1	0	295.339	0.222	20	30		CCEDRM
CCC[C@@H](NS(=O)(=O)CCCCC#N)C(=O)[O-]	ZINC000262678068	330026303	/nfs/dbraw/zinc/02/63/03/330026303.db2.gz	RUDCIIALRKAFQU-SECBINFHSA-N	-1	0	262.331	0.853	20	30		CCEDRM
C=CCOCCCC(=O)N[C@@H](C(=O)[O-])[C@H]1CCCOC1	ZINC000262724462	330028687	/nfs/dbraw/zinc/02/86/87/330028687.db2.gz	GDHWKTHDLMEZEW-WCQYABFASA-N	-1	0	285.340	0.965	20	30		CCEDRM
C=CCCO[C@H](C)C(=O)N1CC[C@](F)(C(=O)[O-])C1	ZINC000262841390	330035184	/nfs/dbraw/zinc/03/51/84/330035184.db2.gz	UAPZHQQDEURHQK-BXKDBHETSA-N	-1	0	259.277	0.993	20	30		CCEDRM
C=CCOC[C@H](NC(=O)[C@H]1Cc2ccccc2O1)C(=O)[O-]	ZINC000262866180	330035901	/nfs/dbraw/zinc/03/59/01/330035901.db2.gz	BBQARAKCKPPQBZ-WCQYABFASA-N	-1	0	291.303	0.762	20	30		CCEDRM
C=CCOC[C@@H](NC(=O)CC[C@@H](C)OC)C(=O)[O-]	ZINC000263105964	330043731	/nfs/dbraw/zinc/04/37/31/330043731.db2.gz	UKLJDDKXDXQYPX-NXEZZACHSA-N	-1	0	259.302	0.574	20	30		CCEDRM
CO[C@H](CNC(=O)c1ccc(CC#N)cc1)C(=O)[O-]	ZINC000263130930	330045033	/nfs/dbraw/zinc/04/50/33/330045033.db2.gz	SUEUMUDVPBCXEF-LLVKDONJSA-N	-1	0	262.265	0.582	20	30		CCEDRM
C=CCOC[C@H](NC(=O)c1cc(C2CC2)on1)C(=O)[O-]	ZINC000263132205	330045036	/nfs/dbraw/zinc/04/50/36/330045036.db2.gz	WATPLOSPRVCKBA-JTQLQIEISA-N	-1	0	280.280	0.938	20	30		CCEDRM
C[C@H]1C[C@@H](C(=O)[O-])CN(S(=O)(=O)CCCC#N)C1	ZINC000263238161	330050339	/nfs/dbraw/zinc/05/03/39/330050339.db2.gz	RHOSOPUVYACSKX-VHSXEESVSA-N	-1	0	274.342	0.663	20	30		CCEDRM
C=CCCS(=O)(=O)N1C[C@@H](C)C[C@H](C(=O)[O-])C1	ZINC000263252588	330050726	/nfs/dbraw/zinc/05/07/26/330050726.db2.gz	TUCWMOTZQQBYMU-UWVGGRQHSA-N	-1	0	261.343	0.935	20	30		CCEDRM
C=C[C@@H]1OCC[C@H]1NC(=O)N1CC[C@@H](C(=O)[O-])C1	ZINC000263422828	330054988	/nfs/dbraw/zinc/05/49/88/330054988.db2.gz	XGCLORUPUXWIAU-BBBLOLIVSA-N	-1	0	254.286	0.446	20	30		CCEDRM
C#CCNC(=O)c1ccc(N2CCC[C@@H](C(=O)[O-])C2)nc1	ZINC000263437732	330055704	/nfs/dbraw/zinc/05/57/04/330055704.db2.gz	VXTYVROQIPXZGI-GFCCVEGCSA-N	-1	0	287.319	0.746	20	30		CCEDRM
CCC[C@@H](NS(=O)(=O)N(C)C[C@@H](C)C#N)C(=O)[O-]	ZINC000263505545	330058271	/nfs/dbraw/zinc/05/82/71/330058271.db2.gz	VNEUEILCCYJZNA-DTWKUNHWSA-N	-1	0	277.346	0.166	20	30		CCEDRM
CCCC[C@@H](NS(=O)(=O)N(C)C[C@H](C)C#N)C(=O)[O-]	ZINC000263539327	330059217	/nfs/dbraw/zinc/05/92/17/330059217.db2.gz	BOILAXJUKYKDHQ-NXEZZACHSA-N	-1	0	291.373	0.556	20	30		CCEDRM
CCN(C[C@H](C)C#N)S(=O)(=O)N1CCC[C@@H]1C(=O)[O-]	ZINC000263549142	330059404	/nfs/dbraw/zinc/05/94/04/330059404.db2.gz	JKESYOFWPOWDJG-NXEZZACHSA-N	-1	0	289.357	0.262	20	30		CCEDRM
C=CCCn1cc(C(=O)N2CC[C@@](C)(C(=O)[O-])C2)nn1	ZINC000424248582	330332097	/nfs/dbraw/zinc/33/20/97/330332097.db2.gz	OJVTXJXDOPIEDY-CYBMUJFWSA-N	-1	0	278.312	0.791	20	30		CCEDRM
C=CCN(C)C(=O)C(=O)NC[C@H](CC(C)C)C(=O)[O-]	ZINC000424493808	330357343	/nfs/dbraw/zinc/35/73/43/330357343.db2.gz	OUQTXEVWVSVFNE-JTQLQIEISA-N	-1	0	270.329	0.494	20	30		CCEDRM
CCN(C[C@H](C)C#N)S(=O)(=O)N(C)CCC(=O)[O-]	ZINC000088769712	330378663	/nfs/dbraw/zinc/37/86/63/330378663.db2.gz	HAZORIXMLCBZKH-SECBINFHSA-N	-1	0	277.346	0.119	20	30		CCEDRM
CN(CC(C)(C)C#N)S(=O)(=O)[N-]CC(F)(F)F	ZINC000432271201	330596509	/nfs/dbraw/zinc/59/65/09/330596509.db2.gz	YMYWJODDNHLYNQ-UHFFFAOYSA-N	-1	0	273.280	0.865	20	30		CCEDRM
C#CCNC(=O)c1cccc(C(=O)NCC#C)c1[O-]	ZINC000490925022	332130016	/nfs/dbraw/zinc/13/00/16/332130016.db2.gz	SWWFHBYQJFNFFC-UHFFFAOYSA-N	-1	0	256.261	0.118	20	30		CCEDRM
C#C[C@@H](C)N(C)C(=O)c1c[nH]c2nc(=O)[n-]c(=O)c-2c1	ZINC000491326203	332190378	/nfs/dbraw/zinc/19/03/78/332190378.db2.gz	KYPSTJIDIGMPKH-SSDOTTSWSA-N	-1	0	272.264	0.530	20	30		CCEDRM
C#C[C@H]1COCCN1C(=O)N=c1ncn(C(C)(C)C)[n-]1	ZINC000491370892	332198641	/nfs/dbraw/zinc/19/86/41/332198641.db2.gz	BQDOOMHKOCGGNI-JTQLQIEISA-N	-1	0	277.328	0.321	20	30		CCEDRM
C#CCN(C(=O)C(=O)Nc1cccc(C(=O)[O-])c1)C1CC1	ZINC000491394071	332203526	/nfs/dbraw/zinc/20/35/26/332203526.db2.gz	KVYLGAWTEGWTHL-UHFFFAOYSA-N	-1	0	286.287	0.948	20	30		CCEDRM
C#C[C@@H](C)N(C)C(=O)N=c1[n-]n(C)cc1C(=O)OCC	ZINC000491769375	332336496	/nfs/dbraw/zinc/33/64/96/332336496.db2.gz	NBWNKUUDTPEDSI-SECBINFHSA-N	-1	0	278.312	0.504	20	30		CCEDRM
N#CCCCS(=O)(=O)[N-]C(=O)/C=C\c1cncc(F)c1	ZINC000492331454	332392771	/nfs/dbraw/zinc/39/27/71/332392771.db2.gz	PJKVRNVXJKAMCF-ARJAWSKDSA-N	-1	0	297.311	0.984	20	30		CCEDRM
CC#CCS(=O)(=O)[N-]C(=O)/C=C/c1scnc1C	ZINC000492969106	332420775	/nfs/dbraw/zinc/42/07/75/332420775.db2.gz	ANEZBEBMKQYPKW-AATRIKPKSA-N	-1	0	284.362	0.934	20	30		CCEDRM
C#CCCS(=O)(=O)[N-]C(=O)/C=C\C1CCOCC1	ZINC000493220726	332431073	/nfs/dbraw/zinc/43/10/73/332431073.db2.gz	KLCQEILNKHYLNO-PLNGDYQASA-N	-1	0	271.338	0.439	20	30		CCEDRM
C=CCS(=O)(=O)[N-]C(=O)[C@H]1CCCN(C(=O)OC)C1	ZINC000494484459	332475363	/nfs/dbraw/zinc/47/53/63/332475363.db2.gz	HLFRQTFGSLSTDL-VIFPVBQESA-N	-1	0	290.341	0.097	20	30		CCEDRM
C=CCNC(=O)CN=c1nc([C@@H](C)OC)[n-]s1	ZINC000337784025	335130091	/nfs/dbraw/zinc/13/00/91/335130091.db2.gz	ACXVGABBJJBTDP-SSDOTTSWSA-N	-1	0	256.331	0.382	20	30		CCEDRM
CCN([C@H](C)CC(=O)[O-])S(=O)(=O)N(C)CCC#N	ZINC000548233265	334146923	/nfs/dbraw/zinc/14/69/23/334146923.db2.gz	FRSVGAIJNAVZOK-SECBINFHSA-N	-1	0	277.346	0.262	20	30		CCEDRM
CN(CCC#N)S(=O)(=O)N[C@H](CC(=O)[O-])C(C)(C)C	ZINC000548265707	334147844	/nfs/dbraw/zinc/14/78/44/334147844.db2.gz	IDOQOPFEBUZOST-SECBINFHSA-N	-1	0	291.373	0.556	20	30		CCEDRM
C=CCCS(=O)(=O)N1CC[C@@](COC)(C(=O)[O-])C1	ZINC000564852280	334524214	/nfs/dbraw/zinc/52/42/14/334524214.db2.gz	NUBXOSJHBLGVQY-LLVKDONJSA-N	-1	0	277.342	0.315	20	30		CCEDRM
C=CCC[C@H](NC(=O)[C@H](C)NC(=O)c1ccco1)C(=O)[O-]	ZINC000262974881	334582371	/nfs/dbraw/zinc/58/23/71/334582371.db2.gz	SYXXJJZFQYRGNJ-UWVGGRQHSA-N	-1	0	294.307	0.934	20	30		CCEDRM
C=CCOC[C@@H](NC(=O)NC[C@]1(C)CCCO1)C(=O)[O-]	ZINC000567108101	334681725	/nfs/dbraw/zinc/68/17/25/334681725.db2.gz	OWGBARBBJAZUDM-MFKMUULPSA-N	-1	0	286.328	0.511	20	30		CCEDRM
C[C@@H](C#N)CN(C)S(=O)(=O)N(C)CC(C)(C)C(=O)[O-]	ZINC000568001381	334783116	/nfs/dbraw/zinc/78/31/16/334783116.db2.gz	YUGVJLCEXYURBF-VIFPVBQESA-N	-1	0	291.373	0.365	20	30		CCEDRM
C=C[C@H](CCC(=O)[O-])NS(=O)(=O)c1c(C)cnn1C	ZINC000568598904	334831933	/nfs/dbraw/zinc/83/19/33/334831933.db2.gz	NHPPOJKYLZYKRA-SECBINFHSA-N	-1	0	287.341	0.426	20	30		CCEDRM
CC#CC[C@H](NS(=O)(=O)C[C@H](C)COCC)C(=O)[O-]	ZINC000576520549	335214107	/nfs/dbraw/zinc/21/41/07/335214107.db2.gz	HNMVKKFEMGEPRN-MNOVXSKESA-N	-1	0	291.369	0.445	20	30		CCEDRM
Cc1cc(C#N)cnc1C(=O)N=c1[n-]nc2n1CCCC2	ZINC000576605075	335225738	/nfs/dbraw/zinc/22/57/38/335225738.db2.gz	ZKCRLXMWXVESAT-UHFFFAOYSA-N	-1	0	282.307	0.864	20	30		CCEDRM
C=C[C@@H](CCC(=O)[O-])NS(=O)(=O)[C@H](C)CCOC	ZINC000576834093	335253620	/nfs/dbraw/zinc/25/36/20/335253620.db2.gz	KQGXRXXDVVAPFX-ZJUUUORDSA-N	-1	0	279.358	0.750	20	30		CCEDRM
C[C@@H]1CCCC[C@@H]1NC(=O)Cn1c(=O)[n-]cc(C#N)c1=O	ZINC000577396588	335348272	/nfs/dbraw/zinc/34/82/72/335348272.db2.gz	ZSDWCGDQUGWWCO-KOLCDFICSA-N	-1	0	290.323	0.103	20	30		CCEDRM
C[C@H](CC#N)N(C)S(=O)(=O)N1CC([C@H](C)C(=O)[O-])C1	ZINC000580776940	335965455	/nfs/dbraw/zinc/96/54/55/335965455.db2.gz	DUBLIHZXZZWUQT-BDAKNGLRSA-N	-1	0	289.357	0.118	20	30		CCEDRM
C=CCOC[C@@H](NC(=O)NCc1ncoc1C)C(=O)[O-]	ZINC000581288508	336037260	/nfs/dbraw/zinc/03/72/60/336037260.db2.gz	YRPKCTHCRUROND-SNVBAGLBSA-N	-1	0	283.284	0.438	20	30		CCEDRM
C#CCSCCNC(=O)N1CC[C@H](NC(=O)[O-])C1	ZINC000738470515	582054480	/nfs/dbraw/zinc/05/44/80/582054480.db2.gz	QNYBSLWCUCQOGV-VIFPVBQESA-N	-1	0	271.342	0.404	20	30		CCEDRM
C#CCNC(=O)c1ccccc1[N-]S(C)(=O)=O	ZINC000060458580	518288076	/nfs/dbraw/zinc/28/80/76/518288076.db2.gz	MZDMAVDHIUDBAN-UHFFFAOYSA-N	-1	0	252.295	0.421	20	30		CCEDRM
CCn1nccc1[N-]S(=O)(=O)c1ccc(C#N)nc1	ZINC000340033192	523743669	/nfs/dbraw/zinc/74/36/69/523743669.db2.gz	NOFNTBBQEWAMQD-UHFFFAOYSA-N	-1	0	277.309	0.970	20	30		CCEDRM
Cn1nccc1S(=O)(=O)[N-]c1ccn(CCC#N)n1	ZINC000344323256	534851775	/nfs/dbraw/zinc/85/17/75/534851775.db2.gz	IFJSROIMNYAXII-UHFFFAOYSA-N	-1	0	280.313	0.331	20	30		CCEDRM
N#Cc1ccc(OCC(=O)N[C@H](C(=O)[O-])C2CC2)cc1	ZINC000054503359	526671210	/nfs/dbraw/zinc/67/12/10/526671210.db2.gz	DRGIVFFRWIWMBA-ZDUSSCGKSA-N	-1	0	274.276	0.916	20	30		CCEDRM
C=CCCO[C@@H](C)C(=O)N[C@H](C(=O)[O-])C1CCOCC1	ZINC000668308968	545172558	/nfs/dbraw/zinc/17/25/58/545172558.db2.gz	PSAVTGWFSRUJAN-JQWIXIFHSA-N	-1	0	285.340	0.964	20	30		CCEDRM
CC(C)Oc1ccc(=NC(=O)N[C@@H]2C=C[C@H](CO)C2)[n-]n1	ZINC000330235660	528131348	/nfs/dbraw/zinc/13/13/48/528131348.db2.gz	GZHAMSZQIWCNNM-WDEREUQCSA-N	-1	0	292.339	0.949	20	30		CCEDRM
CCC[C@H](NC(=O)C1(C#N)CCOCC1)C(=O)[O-]	ZINC000347409152	528171987	/nfs/dbraw/zinc/17/19/87/528171987.db2.gz	HNQSUAIODOFHRR-VIFPVBQESA-N	-1	0	254.286	0.676	20	30		CCEDRM
CCC(=O)N1CC[C@H](NC(=O)N=c2ccc(OC)n[n-]2)C1	ZINC000330017347	528357175	/nfs/dbraw/zinc/35/71/75/528357175.db2.gz	QYPXHOSQSRGSRB-VIFPVBQESA-N	-1	0	293.327	0.244	20	30		CCEDRM
C=CCCOCCCCC(=O)NCc1nnn[n-]1	ZINC000678837952	545398688	/nfs/dbraw/zinc/39/86/88/545398688.db2.gz	FCSSMRSDJIELEO-UHFFFAOYSA-N	-1	0	253.306	0.579	20	30		CCEDRM
C=CCCOCC(=O)Nc1ccn(CC(=O)[O-])n1	ZINC000678983111	545400627	/nfs/dbraw/zinc/40/06/27/545400627.db2.gz	YWFTYWOESRBPPP-UHFFFAOYSA-N	-1	0	253.258	0.499	20	30		CCEDRM
C=CC[C@@H](NS(=O)(=O)N1CCC[C@@H]1C)C(=O)[O-]	ZINC000681558705	545456157	/nfs/dbraw/zinc/45/61/57/545456157.db2.gz	VRTUNYPAGDFIEL-DTWKUNHWSA-N	-1	0	262.331	0.334	20	30		CCEDRM
C=CC[C@H](NS(=O)(=O)N(CC)CC1CC1)C(=O)[O-]	ZINC000681557731	545456168	/nfs/dbraw/zinc/45/61/68/545456168.db2.gz	FJWSUMPJCBXGHG-JTQLQIEISA-N	-1	0	276.358	0.582	20	30		CCEDRM
C=CCC[C@H](NS(=O)(=O)CC[C@@H]1CCCO1)C(=O)[O-]	ZINC000681578135	545456729	/nfs/dbraw/zinc/45/67/29/545456729.db2.gz	OUKQRDBFVYRTKX-QWRGUYRKSA-N	-1	0	291.369	0.894	20	30		CCEDRM
C=CCNC(=O)N1CCC(N2C[C@H](C(=O)[O-])CC2=O)CC1	ZINC000170299995	581104396	/nfs/dbraw/zinc/10/43/96/581104396.db2.gz	CWEUZMLAJPHZID-SNVBAGLBSA-N	-1	0	295.339	0.280	20	30		CCEDRM
C[C@H](NC(=O)[O-])C(=O)NCCOc1ccc(C#N)cc1	ZINC000738992900	581114002	/nfs/dbraw/zinc/11/40/02/581114002.db2.gz	CIUDKAHMNGTVPZ-VIFPVBQESA-N	-1	0	277.280	0.709	20	30		CCEDRM
CCN(CC(=O)OCC(=O)N[C@@](C)(C#N)C(C)C)C(=O)[O-]	ZINC000739399026	581130593	/nfs/dbraw/zinc/13/05/93/581130593.db2.gz	KHFNLLFDAZCLNY-ZDUSSCGKSA-N	-1	0	299.327	0.584	20	30		CCEDRM
CCN(CCC#N)C(=O)CN1CCC[C@H](N(C)C(=O)[O-])C1	ZINC000739416390	581133461	/nfs/dbraw/zinc/13/34/61/581133461.db2.gz	ZWRKHBLCLNWEFF-LBPRGKRZSA-N	-1	0	296.371	0.823	20	30		CCEDRM
C=CCNC(=O)C(C#N)=C([O-])c1ccn(CC(F)F)n1	ZINC000789404800	581147876	/nfs/dbraw/zinc/14/78/76/581147876.db2.gz	UBPKTAAWUDTQIL-MRVPVSSYSA-N	-1	0	282.250	0.773	20	30		CCEDRM
CSC1(C(=O)[N-]S(=O)(=O)CC(C)(C)C#N)CC1	ZINC000789411577	581148013	/nfs/dbraw/zinc/14/80/13/581148013.db2.gz	QYAQDAFFUKOPTI-UHFFFAOYSA-N	-1	0	276.383	0.878	20	30		CCEDRM
C#CCOc1cccc(NC(=O)C(=O)[N-]OCCOC)c1	ZINC000789824681	581158426	/nfs/dbraw/zinc/15/84/26/581158426.db2.gz	IQTGNDBBFVVFQV-UHFFFAOYSA-N	-1	0	292.291	0.331	20	30		CCEDRM
O=C([O-])Cn1cc(/C=C\C(=O)c2ccncc2)nn1	ZINC000776188621	581181249	/nfs/dbraw/zinc/18/12/49/581181249.db2.gz	XTODMSPNTQDQLZ-UPHRSURJSA-N	-1	0	258.237	0.654	20	30		CCEDRM
C[C@H]1CN(C(=O)[O-])CCN1CC(=O)N[C@@](C)(C#N)C1CC1	ZINC000739162425	581186158	/nfs/dbraw/zinc/18/61/58/581186158.db2.gz	UYGRYQWBZQVMRP-HZMBPMFUSA-N	-1	0	294.355	0.479	20	30		CCEDRM
CC#CCS(=O)(=O)[N-]C(=O)c1cccc(OC)c1	ZINC000791111035	581207654	/nfs/dbraw/zinc/20/76/54/581207654.db2.gz	LVWJRXARUPBVRO-UHFFFAOYSA-N	-1	0	267.306	0.778	20	30		CCEDRM
Cc1c(Cl)c(C(=O)[O-])nn1CN1CCO[C@H](C#N)C1	ZINC000738292207	581246368	/nfs/dbraw/zinc/24/63/68/581246368.db2.gz	ZZWLKCRNVNMGMA-MRVPVSSYSA-N	-1	0	284.703	0.725	20	30		CCEDRM
Cn1ccnc(NN=Cc2ccc([O-])c([N+](=O)[O-])c2)c1=O	ZINC000748080343	581265234	/nfs/dbraw/zinc/26/52/34/581265234.db2.gz	WANDXUBJILPFER-UHFFFAOYSA-N	-1	0	289.251	0.840	20	30		CCEDRM
CC[C@H](NN=C1c2ccccc2N(C)C1=O)C(=O)[O-]	ZINC000793071407	581283751	/nfs/dbraw/zinc/28/37/51/581283751.db2.gz	FCIZKKIKXVREEW-VIFPVBQESA-N	-1	0	261.281	0.820	20	30		CCEDRM
COCCNC(=O)C(C#N)=C([O-])c1ccnc(C)c1	ZINC000793125850	581285079	/nfs/dbraw/zinc/28/50/79/581285079.db2.gz	RBFZEGPOBLZWKU-LLVKDONJSA-N	-1	0	261.281	0.475	20	30		CCEDRM
C[C@H]1CC(=O)CC[C@@H]1C(=O)[N-]S(=O)(=O)CC1(C#N)CC1	ZINC000793194587	581287773	/nfs/dbraw/zinc/28/77/73/581287773.db2.gz	QLQGHPWIGXKAPE-ONGXEEELSA-N	-1	0	298.364	0.741	20	30		CCEDRM
CCc1nc(C(=O)[N-]S(=O)(=O)CC2(C#N)CC2)co1	ZINC000793196016	581287781	/nfs/dbraw/zinc/28/77/81/581287781.db2.gz	FNSOUANERTWMAK-UHFFFAOYSA-N	-1	0	283.309	0.600	20	30		CCEDRM
CC[C@H](C)[C@H](OC)C(=O)[N-]S(=O)(=O)CC1(C#N)CC1	ZINC000793196008	581287886	/nfs/dbraw/zinc/28/78/86/581287886.db2.gz	FHFWGMNCHRIPJU-UWVGGRQHSA-N	-1	0	288.369	0.797	20	30		CCEDRM
Cc1ccc(C(=O)[N-]S(=O)(=O)CC2(C#N)CC2)nc1	ZINC000793195639	581287922	/nfs/dbraw/zinc/28/79/22/581287922.db2.gz	NBBOHKVVPHDGSP-UHFFFAOYSA-N	-1	0	279.321	0.753	20	30		CCEDRM
N#CC1(C(=O)OCC(=O)N2CCC(C(=O)[O-])CC2)CCC1	ZINC000738421620	581315769	/nfs/dbraw/zinc/31/57/69/581315769.db2.gz	GWNFGMMXFBAKAF-UHFFFAOYSA-N	-1	0	294.307	0.547	20	30		CCEDRM
N#C[C@@H](NC(=O)CN(C[C@H]1CCCO1)C(=O)[O-])C1CC1	ZINC000740304055	581322514	/nfs/dbraw/zinc/32/25/14/581322514.db2.gz	PWSQIYUEKOTPMY-GHMZBOCLSA-N	-1	0	281.312	0.564	20	30		CCEDRM
N#CC1CCN(C(=O)COCCNC(=O)[O-])CC1	ZINC000740309886	581323726	/nfs/dbraw/zinc/32/37/26/581323726.db2.gz	OUFYZYBXLYJVFU-UHFFFAOYSA-N	-1	0	255.274	0.033	20	30		CCEDRM
N#CCCn1ccc(NC(=O)[C@H]2COCCN2C(=O)[O-])n1	ZINC000740308602	581323779	/nfs/dbraw/zinc/32/37/79/581323779.db2.gz	MGAZPQCFNAIUBX-SECBINFHSA-N	-1	0	293.283	0.114	20	30		CCEDRM
N#CC1(NC(=O)CCCNC(=O)[O-])CCOCC1	ZINC000740309729	581323830	/nfs/dbraw/zinc/32/38/30/581323830.db2.gz	MZEFPKJHPGUIHY-UHFFFAOYSA-N	-1	0	255.274	0.223	20	30		CCEDRM
C#CCNC(=O)[C@H]1Cc2ccccc2CN1C(=O)[O-]	ZINC000738463587	581336375	/nfs/dbraw/zinc/33/63/75/581336375.db2.gz	WZJOHUCWYUFXDY-GFCCVEGCSA-N	-1	0	258.277	0.841	20	30		CCEDRM
C=CCNC(=O)C(C#N)=C([O-])c1cnn2ccc(C)nc12	ZINC000727953664	581342694	/nfs/dbraw/zinc/34/26/94/581342694.db2.gz	MGRNOXMKYJIASM-SNVBAGLBSA-N	-1	0	283.291	0.662	20	30		CCEDRM
C#CCSCCNC(=O)NC[C@H](NC(=O)[O-])C(C)C	ZINC000738468835	581343098	/nfs/dbraw/zinc/34/30/98/581343098.db2.gz	AVSUBGCVFJZQBL-JTQLQIEISA-N	-1	0	287.385	0.944	20	30		CCEDRM
C=CC[C@@H](C)NC(=O)NCC(=O)N1CCN(C(=O)[O-])CC1	ZINC000738488519	581358273	/nfs/dbraw/zinc/35/82/73/581358273.db2.gz	KXDFCMJNPQEPRS-SNVBAGLBSA-N	-1	0	298.343	0.072	20	30		CCEDRM
C=CCCOCC(=O)N1CCN(C(=O)[O-])C[C@@H]1C	ZINC000738492427	581360844	/nfs/dbraw/zinc/36/08/44/581360844.db2.gz	FAADSJQCZXNYDI-JTQLQIEISA-N	-1	0	256.302	0.790	20	30		CCEDRM
C=CCNC(=O)[C@@H](C#N)C(=O)CCC(C)(C)NC(=O)[O-]	ZINC000738491553	581360873	/nfs/dbraw/zinc/36/08/73/581360873.db2.gz	KGESEARBNPAVPX-VIFPVBQESA-N	-1	0	281.312	0.824	20	30		CCEDRM
C#CCOCC[N-]S(=O)(=O)c1c(F)cccc1F	ZINC000784452234	581384645	/nfs/dbraw/zinc/38/46/45/581384645.db2.gz	TVRFDHKFYKYPCU-UHFFFAOYSA-N	-1	0	275.276	0.893	20	30		CCEDRM
CC[C@@H](C)CO[N-]C(=O)[C@@H](C)n1cnc(C#N)n1	ZINC000794870479	581390134	/nfs/dbraw/zinc/39/01/34/581390134.db2.gz	MUAXSMGLAWPYRK-RKDXNWHRSA-N	-1	0	251.290	0.805	20	30		CCEDRM
CO[N-]C(=O)C(=O)Nc1cc(C#N)ccc1OC(F)F	ZINC000785362260	581406513	/nfs/dbraw/zinc/40/65/13/581406513.db2.gz	KGEMJPXXIHDFLQ-UHFFFAOYSA-N	-1	0	285.206	0.776	20	30		CCEDRM
C=C[C@@H]1CCCCN1C(=O)Cn1[n-]cc2c(=O)ncnc1-2	ZINC000785856939	581423412	/nfs/dbraw/zinc/42/34/12/581423412.db2.gz	NPOLFEROHTXXCS-SNVBAGLBSA-N	-1	0	287.323	0.638	20	30		CCEDRM
C=CCS(=O)(=O)[N-]C(=O)Cc1nc(C)sc1C	ZINC000786473605	581442094	/nfs/dbraw/zinc/44/20/94/581442094.db2.gz	JUYUXCCKHQWPRQ-UHFFFAOYSA-N	-1	0	274.367	0.934	20	30		CCEDRM
COC(=O)c1ccc(C([O-])=C(C#N)C(=O)N2CCCC2)[nH]1	ZINC000796743542	581449396	/nfs/dbraw/zinc/44/93/96/581449396.db2.gz	XWNWPIHKEHARSG-SECBINFHSA-N	-1	0	289.291	0.746	20	30		CCEDRM
C=CCS(=O)(=O)[N-]C(=O)c1ccnc(C#N)c1	ZINC000796793713	581450786	/nfs/dbraw/zinc/45/07/86/581450786.db2.gz	SQTUECYFADQHRR-UHFFFAOYSA-N	-1	0	251.267	0.199	20	30		CCEDRM
N#Cc1ccc(C(=O)[N-]S(=O)(=O)C[C@@H]2CCCOC2)o1	ZINC000797248004	581462770	/nfs/dbraw/zinc/46/27/70/581462770.db2.gz	MLODUUZQFCTMBR-SECBINFHSA-N	-1	0	298.320	0.637	20	30		CCEDRM
C#CCCCCCC(=O)[N-]S(=O)(=O)[C@H](C)C(=O)OC	ZINC000797281396	581463590	/nfs/dbraw/zinc/46/35/90/581463590.db2.gz	KKBKEXABGYLYLA-SNVBAGLBSA-N	-1	0	289.353	0.578	20	30		CCEDRM
CCCCCCCC(=O)NCCC(=O)[N-]S(C)(=O)=O	ZINC000788176470	581484654	/nfs/dbraw/zinc/48/46/54/581484654.db2.gz	KQPXHEIYVAKTLK-UHFFFAOYSA-N	-1	0	292.401	0.929	20	30		CCEDRM
N#Cc1ccc(NCCNC(=O)[C@H]2C[C@@H]2C(=O)[O-])nc1	ZINC000739120673	581508060	/nfs/dbraw/zinc/50/80/60/581508060.db2.gz	BZRMYSKKUYTGOV-UWVGGRQHSA-N	-1	0	274.280	0.202	20	30		CCEDRM
COCc1cncc(C(=O)[N-]S(=O)(=O)CCCC#N)c1	ZINC000765613120	581530046	/nfs/dbraw/zinc/53/00/46/581530046.db2.gz	KUVMQNDPSNQTFP-UHFFFAOYSA-N	-1	0	297.336	0.591	20	30		CCEDRM
C#CCOCCNC(=O)CSc1n[n-]c(=S)s1	ZINC000753226125	581530979	/nfs/dbraw/zinc/53/09/79/581530979.db2.gz	IQDVLZCTJZARLV-UHFFFAOYSA-N	-1	0	289.407	0.685	20	30		CCEDRM
CCC[C@@H](NC(=O)[O-])C(=O)NC1(C#N)CCOCC1	ZINC000739311416	581534730	/nfs/dbraw/zinc/53/47/30/581534730.db2.gz	KFVVQVRXNQBXAB-SECBINFHSA-N	-1	0	269.301	0.612	20	30		CCEDRM
N#CC(C(=O)NC1CC1)=C([O-])c1cn2ccccc2n1	ZINC000729069392	581546921	/nfs/dbraw/zinc/54/69/21/581546921.db2.gz	JOTKIGSUXGPPGI-JTQLQIEISA-N	-1	0	268.276	0.935	20	30		CCEDRM
CCN(CCNC(=O)N(C)C[C@@H](C)C#N)C(=O)[O-]	ZINC000739427442	581551253	/nfs/dbraw/zinc/55/12/53/581551253.db2.gz	ZNSDHBBTUXUEPY-VIFPVBQESA-N	-1	0	256.306	0.787	20	30		CCEDRM
CN(CCC#N)C(=O)CN(C[C@@H]1CCCO1)C(=O)[O-]	ZINC000739663506	581589295	/nfs/dbraw/zinc/58/92/95/581589295.db2.gz	HIIJRIGNQFJVJV-JTQLQIEISA-N	-1	0	269.301	0.517	20	30		CCEDRM
COc1cc(C#N)ccc1S(=O)(=O)[N-]C(=O)[C@H](C)OC	ZINC000766974085	581591165	/nfs/dbraw/zinc/59/11/65/581591165.db2.gz	BOXGDNZTLUOBBC-QMMMGPOBSA-N	-1	0	298.320	0.407	20	30		CCEDRM
CN(C(=O)COC(=O)[C@H]1CCN(C(=O)[O-])C1)C(C)(C)C#N	ZINC000739571896	581591941	/nfs/dbraw/zinc/59/19/41/581591941.db2.gz	JDFKHXCGJPKTHR-VIFPVBQESA-N	-1	0	297.311	0.290	20	30		CCEDRM
CCn1cc(S(=O)(=O)[N-]C(=O)CC(C)(C)C#N)cn1	ZINC000786453701	581600711	/nfs/dbraw/zinc/60/07/11/581600711.db2.gz	PDUCKQDCBDKOEQ-UHFFFAOYSA-N	-1	0	284.341	0.648	20	30		CCEDRM
C=CC[C@H](C)NC(=O)Cn1[n-]cc2c(=O)ncnc1-2	ZINC000735067644	581611090	/nfs/dbraw/zinc/61/10/90/581611090.db2.gz	MVLONPJHHHAYCH-QMMMGPOBSA-N	-1	0	261.285	0.152	20	30		CCEDRM
C=CCCOCC(=O)[N-]S(=O)(=O)CC1CCC1	ZINC000755124825	581627415	/nfs/dbraw/zinc/62/74/15/581627415.db2.gz	NCIBFEMKTULXCG-UHFFFAOYSA-N	-1	0	261.343	0.825	20	30		CCEDRM
CS(=O)(=O)c1ccccc1N=NC1CN(C(=O)[O-])C1	ZINC000739996394	581642702	/nfs/dbraw/zinc/64/27/02/581642702.db2.gz	BXRUKRARKAYOLD-UHFFFAOYSA-N	-1	0	283.309	0.852	20	30		CCEDRM
C=CCCC(=O)Nc1nc(C#N)c(-c2nn[nH]n2)[n-]1	ZINC000735409238	581644972	/nfs/dbraw/zinc/64/49/72/581644972.db2.gz	WCUUFSBDAGBSJY-UHFFFAOYSA-N	-1	0	258.245	0.366	20	30		CCEDRM
O=C([O-])c1csc(C=NN2CC(=O)NC2=O)c1	ZINC000755612126	581648389	/nfs/dbraw/zinc/64/83/89/581648389.db2.gz	SXSHLZHRUOWTQO-UHFFFAOYSA-N	-1	0	253.239	0.332	20	30		CCEDRM
C#CCCS(=O)(=O)[N-]C(=O)c1ccccc1[N+](=O)[O-]	ZINC000788072883	581658449	/nfs/dbraw/zinc/65/84/49/581658449.db2.gz	XUBYIQGPPKCRJI-UHFFFAOYSA-N	-1	0	282.277	0.678	20	30		CCEDRM
N#CCN1CCC(NC(=O)CCCNC(=O)[O-])CC1	ZINC000740305187	581662351	/nfs/dbraw/zinc/66/23/51/581662351.db2.gz	GIOWZIMBTIMXQC-UHFFFAOYSA-N	-1	0	268.317	0.138	20	30		CCEDRM
N#C[C@H]1CN(C(=O)NCC[C@H]2CCN(C(=O)[O-])C2)CCO1	ZINC000740306847	581663049	/nfs/dbraw/zinc/66/30/49/581663049.db2.gz	LRIGBLPJUBSVCY-QWRGUYRKSA-N	-1	0	296.327	0.310	20	30		CCEDRM
N#CCCCS(=O)(=O)N[C@@H]1CCCCN(C(=O)[O-])C1	ZINC000740307612	581663346	/nfs/dbraw/zinc/66/33/46/581663346.db2.gz	RZMABKIQAXAIDI-SNVBAGLBSA-N	-1	0	289.357	0.742	20	30		CCEDRM
N#CCCCS(=O)(=O)NC1(CNC(=O)[O-])CCCC1	ZINC000740307434	581663409	/nfs/dbraw/zinc/66/34/09/581663409.db2.gz	REZWGRYXRZJWPP-UHFFFAOYSA-N	-1	0	289.357	0.790	20	30		CCEDRM
N#CC1(NC(=O)C2CCN(C(=O)[O-])CC2)CCOCC1	ZINC000740309869	581663875	/nfs/dbraw/zinc/66/38/75/581663875.db2.gz	OBVSPHIDMMUDSU-UHFFFAOYSA-N	-1	0	281.312	0.565	20	30		CCEDRM
N#C[C@@H]1CN(C(=O)[C@H]2CCC[C@@H](NC(=O)[O-])C2)CCO1	ZINC000740309669	581664107	/nfs/dbraw/zinc/66/41/07/581664107.db2.gz	LHLXVALHKAYLKC-HBNTYKKESA-N	-1	0	281.312	0.564	20	30		CCEDRM
N#Cc1cccc(COC(=O)[C@H]2C[C@H](O)CN2C(=O)[O-])c1	ZINC000740320681	581665268	/nfs/dbraw/zinc/66/52/68/581665268.db2.gz	WRRCUXJNAZTLBN-NWDGAFQWSA-N	-1	0	290.275	0.715	20	30		CCEDRM
N#Cc1cccc(OCC(=O)N2CC[C@H](NC(=O)[O-])C2)c1	ZINC000740323778	581665789	/nfs/dbraw/zinc/66/57/89/581665789.db2.gz	VENSAKCFWDQSIP-NSHDSACASA-N	-1	0	289.291	0.806	20	30		CCEDRM
C#CCN(Cc1cc(C(=O)[O-])co1)[C@@H]1CCS(=O)(=O)C1	ZINC000736079174	581686629	/nfs/dbraw/zinc/68/66/29/581686629.db2.gz	ISTXHWCSONMUDU-LLVKDONJSA-N	-1	0	297.332	0.600	20	30		CCEDRM
C#CCNC(=O)c1ccccc1NC(=O)[C@@H]1C[C@H]1C(=O)[O-]	ZINC000736076900	581694694	/nfs/dbraw/zinc/69/46/94/581694694.db2.gz	WMYQIALGVVALJG-GHMZBOCLSA-N	-1	0	286.287	0.709	20	30		CCEDRM
C=CCNC(=O)[C@H](C#N)C(=O)CCCNC(=O)[O-]	ZINC000736106363	581696805	/nfs/dbraw/zinc/69/68/05/581696805.db2.gz	BCPUXOKGHIGSHH-MRVPVSSYSA-N	-1	0	253.258	0.045	20	30		CCEDRM
CC(=O)OCCCCn1cc(C(=O)[O-])cc(C#N)c1=O	ZINC000736174749	581710826	/nfs/dbraw/zinc/71/08/26/581710826.db2.gz	ZFLYQRHMKZLYHS-UHFFFAOYSA-N	-1	0	278.264	0.761	20	30		CCEDRM
CC(C)(C)n1cc(C(=O)N(CC#N)CC(=O)[O-])cn1	ZINC000736306873	581734383	/nfs/dbraw/zinc/73/43/83/581734383.db2.gz	VUHWCJSAGILJMD-UHFFFAOYSA-N	-1	0	264.285	0.688	20	30		CCEDRM
CCC(COC)N=Nc1oc(C)nc1-c1nnn[n-]1	ZINC000736355062	581746662	/nfs/dbraw/zinc/74/66/62/581746662.db2.gz	XHQVDGOEMLWXHP-UHFFFAOYSA-N	-1	0	265.277	0.987	20	30		CCEDRM
O=C([O-])COc1ccc(C=NN2CN=NC2=O)cc1	ZINC000770616089	581756169	/nfs/dbraw/zinc/75/61/69/581756169.db2.gz	WFGQKFRRZJCABN-UHFFFAOYSA-N	-1	0	262.225	0.329	20	30		CCEDRM
CC(C)C[C@@H](NC(=O)CN(CC#N)C1CC1)C(=O)[O-]	ZINC000736414254	581760898	/nfs/dbraw/zinc/76/08/98/581760898.db2.gz	XOLNNGNONIWWEZ-LLVKDONJSA-N	-1	0	267.329	0.590	20	30		CCEDRM
CCC(=O)N[C@H](C)C(=O)C(C#N)=C([O-])c1nccn1C	ZINC000770861981	581775527	/nfs/dbraw/zinc/77/55/27/581775527.db2.gz	KZBRORQKPQWREC-BDAKNGLRSA-N	-1	0	276.296	0.226	20	30		CCEDRM
CC(C)c1cc(C(=O)N(CC#N)CC(=O)[O-])[nH]n1	ZINC000736509892	581782108	/nfs/dbraw/zinc/78/21/08/581782108.db2.gz	AHLRQIOPEIYHTC-UHFFFAOYSA-N	-1	0	250.258	0.583	20	30		CCEDRM
CO[C@@H](C)CC(=O)[N-]S(=O)(=O)CC1(C#N)CCC1	ZINC000771079460	581790328	/nfs/dbraw/zinc/79/03/28/581790328.db2.gz	LUSDDPDNLZRFTB-VIFPVBQESA-N	-1	0	274.342	0.551	20	30		CCEDRM
N#Cc1ccsc1C(=O)N1CCO[C@H](c2nnn[n-]2)C1	ZINC000732091731	581802704	/nfs/dbraw/zinc/80/27/04/581802704.db2.gz	OSDITKRPWCVHJF-QMMMGPOBSA-N	-1	0	290.308	0.347	20	30		CCEDRM
C#CCCCC(=O)[N-]S(=O)(=O)CC(C)(C)C#N	ZINC000759628512	581812166	/nfs/dbraw/zinc/81/21/66/581812166.db2.gz	OPICYXGTHSUBPA-UHFFFAOYSA-N	-1	0	256.327	0.786	20	30		CCEDRM
Cc1cccc(S(=O)(=O)N(CC#N)CC(=O)[O-])c1	ZINC000738745333	581835301	/nfs/dbraw/zinc/83/53/01/581835301.db2.gz	PEYYZEDBXKOOPI-UHFFFAOYSA-N	-1	0	268.294	0.594	20	30		CCEDRM
C[C@H]1Oc2ccccc2O[C@H]1C(=O)N(CC#N)CC(=O)[O-]	ZINC000736838408	581851515	/nfs/dbraw/zinc/85/15/15/581851515.db2.gz	SFWZJMAXQLJPBH-NOZJJQNGSA-N	-1	0	290.275	0.652	20	30		CCEDRM
CC[C@H](C)[C@H](NC(=O)CN(CC#N)C1CC1)C(=O)[O-]	ZINC000736880832	581864243	/nfs/dbraw/zinc/86/42/43/581864243.db2.gz	ZRMSHPCVJCGZDA-CABZTGNLSA-N	-1	0	267.329	0.590	20	30		CCEDRM
C=CCS(=O)(=O)[N-]C(=O)[C@H]1CCC[C@H](C(=O)OC)C1	ZINC000772711085	581885049	/nfs/dbraw/zinc/88/50/49/581885049.db2.gz	VKZYJTPNCZLDNC-UWVGGRQHSA-N	-1	0	289.353	0.598	20	30		CCEDRM
C=CCS(=O)(=O)[N-]C(=O)[C@@H](C)OC[C@H]1CCCO1	ZINC000772712945	581885403	/nfs/dbraw/zinc/88/54/03/581885403.db2.gz	GFBWQCYIPLCACR-NXEZZACHSA-N	-1	0	277.342	0.203	20	30		CCEDRM
C=CCS(=O)(=O)[N-]C(=O)CCCn1cccn1	ZINC000772721478	581886793	/nfs/dbraw/zinc/88/67/93/581886793.db2.gz	QPLVHOVGRGZRRX-UHFFFAOYSA-N	-1	0	257.315	0.295	20	30		CCEDRM
N#CCOc1cccc(NC(=O)NCc2n[nH]c(=O)[n-]2)c1	ZINC000762212308	581935897	/nfs/dbraw/zinc/93/58/97/581935897.db2.gz	AYJUAKFHWANZAE-UHFFFAOYSA-N	-1	0	288.267	0.734	20	30		CCEDRM
CCn1nccc1C([O-])=C(C#N)C(=O)N1CCCC1	ZINC000773968445	581949750	/nfs/dbraw/zinc/94/97/50/581949750.db2.gz	PYXOPIUVCZMRRV-SNVBAGLBSA-N	-1	0	260.297	0.848	20	30		CCEDRM
CN(CC(=O)N[C@@](C)(C#N)C1CC1)C(C)(C)C(=O)[O-]	ZINC000737390323	581950886	/nfs/dbraw/zinc/95/08/86/581950886.db2.gz	XPAPVJPSKXIFAX-ZDUSSCGKSA-N	-1	0	267.329	0.590	20	30		CCEDRM
CCOc1nc(C([O-])=C(C#N)C(=O)NC2CC2)co1	ZINC000773981391	581950904	/nfs/dbraw/zinc/95/09/04/581950904.db2.gz	XQZRWUWRURPGGS-MRVPVSSYSA-N	-1	0	263.253	0.674	20	30		CCEDRM
N#Cc1ccc([O-])c(NC(=O)CN2CSCC2=O)c1	ZINC000748003252	581959184	/nfs/dbraw/zinc/95/91/84/581959184.db2.gz	BLFSFZRBUPEMKZ-UHFFFAOYSA-N	-1	0	277.305	0.735	20	30		CCEDRM
CC(=O)c1ccc(C(=O)[N-]S(=O)(=O)CCCC#N)o1	ZINC000774174005	581963213	/nfs/dbraw/zinc/96/32/13/581963213.db2.gz	NAIMBYKQZBLEHK-UHFFFAOYSA-N	-1	0	284.293	0.846	20	30		CCEDRM
C#CCN(CC)C(=O)C(=O)Nc1cccc(CC(=O)[O-])c1	ZINC000737492717	581965775	/nfs/dbraw/zinc/96/57/75/581965775.db2.gz	OFRPUEXWGMJROA-UHFFFAOYSA-N	-1	0	288.303	0.734	20	30		CCEDRM
C#CCN(CC#CC)C(=O)[C@@H]1CCCN(C(=O)[O-])C1	ZINC000737493081	581966179	/nfs/dbraw/zinc/96/61/79/581966179.db2.gz	XFNYGYFIEYAGTC-GFCCVEGCSA-N	-1	0	262.309	0.862	20	30		CCEDRM
CNC(=S)NN=Cc1cc(C(=O)[O-])ccc1O	ZINC000737554072	581978208	/nfs/dbraw/zinc/97/82/08/581978208.db2.gz	WEDCHUUYLPGIDS-UHFFFAOYSA-N	-1	0	253.283	0.518	20	30		CCEDRM
COC(=O)Nc1cccc(C(=O)N(CC#N)CC(=O)[O-])c1	ZINC000737644548	581996525	/nfs/dbraw/zinc/99/65/25/581996525.db2.gz	YEBCSZFQBOMMFT-UHFFFAOYSA-N	-1	0	291.263	0.915	20	30		CCEDRM
N#CCOc1ccc(CC(=O)OCc2n[nH]c(=O)[n-]2)cc1	ZINC000774946487	582004200	/nfs/dbraw/zinc/00/42/00/582004200.db2.gz	FEXQIWCJEABAKJ-UHFFFAOYSA-N	-1	0	288.263	0.699	20	30		CCEDRM
C=CCOc1cccnc1C(=O)[N-]S(=O)(=O)CC=C	ZINC000775275010	582016995	/nfs/dbraw/zinc/01/69/95/582016995.db2.gz	FNJWMWNBVLNNQT-UHFFFAOYSA-N	-1	0	282.321	0.892	20	30		CCEDRM
Cn1ccnc1C([O-])=C(C#N)C(=O)[C@H]1CCc2n[nH]cc2C1	ZINC000764044294	582028595	/nfs/dbraw/zinc/02/85/95/582028595.db2.gz	OPZUVBWFSIMIHH-GXSJLCMTSA-N	-1	0	297.318	0.840	20	30		CCEDRM
C=C(C)[C@@H](CC(=O)[N-]S(=O)(=O)C[C@H](C)OC)OCC	ZINC000764187770	582034270	/nfs/dbraw/zinc/03/42/70/582034270.db2.gz	SBMSVIKDHLWDQZ-WDEREUQCSA-N	-1	0	293.385	0.839	20	30		CCEDRM
N#C[C@H]1CN(C(=O)NCCCC(=O)[O-])CCN1C1CC1	ZINC000738422954	582047850	/nfs/dbraw/zinc/04/78/50/582047850.db2.gz	OAFHZSUXXHXWPA-NSHDSACASA-N	-1	0	280.328	0.233	20	30		CCEDRM
N#CCCCS(=O)(=O)N1CCCN(C(=O)[O-])CC1	ZINC000738428086	582048197	/nfs/dbraw/zinc/04/81/97/582048197.db2.gz	JJEKYTSRDFCKSH-UHFFFAOYSA-N	-1	0	275.330	0.306	20	30		CCEDRM
N#CCOc1ccc(CNC(=O)CCNC(=O)[O-])cc1	ZINC000738425275	582048417	/nfs/dbraw/zinc/04/84/17/582048417.db2.gz	DNXLHRYEEZANSL-UHFFFAOYSA-N	-1	0	277.280	0.863	20	30		CCEDRM
N#Cc1ccc(CCC(=O)N2CCO[C@@H](C(=O)[O-])C2)cc1	ZINC000738432267	582048833	/nfs/dbraw/zinc/04/88/33/582048833.db2.gz	GGQGMRRQSHQJOO-CYBMUJFWSA-N	-1	0	288.303	0.803	20	30		CCEDRM
C#CCCN1CCN(C(=O)CCN(C(=O)[O-])C(C)C)CC1	ZINC000738456902	582052558	/nfs/dbraw/zinc/05/25/58/582052558.db2.gz	FBIQBLRUSKUVNF-UHFFFAOYSA-N	-1	0	295.383	0.932	20	30		CCEDRM
C#CCCNC(=O)N1C[C@@H](C)N(C(=O)[O-])[C@@H](C)C1	ZINC000738456820	582052636	/nfs/dbraw/zinc/05/26/36/582052636.db2.gz	BSGHNTXSJSVAPF-AOOOYVTPSA-N	-1	0	253.302	0.792	20	30		CCEDRM
Cc1ccc(C(=O)[N-]S(=O)(=O)CC(C)(C)C#N)n1C	ZINC000776138511	582053337	/nfs/dbraw/zinc/05/33/37/582053337.db2.gz	NUPSVUOLFSRPMX-UHFFFAOYSA-N	-1	0	283.353	0.943	20	30		CCEDRM
CC[C@H](C)OCC(=O)[N-]S(=O)(=O)CC(C)(C)C#N	ZINC000776135891	582053541	/nfs/dbraw/zinc/05/35/41/582053541.db2.gz	IINPVIFACJZXID-VIFPVBQESA-N	-1	0	276.358	0.797	20	30		CCEDRM
C#CCNC(=O)COC(=O)[C@@H](NC(=O)[O-])c1ccccc1	ZINC000738463550	582053812	/nfs/dbraw/zinc/05/38/12/582053812.db2.gz	VNFUSAAZXXROHK-LBPRGKRZSA-N	-1	0	290.275	0.288	20	30		CCEDRM
CC(C)(C#N)CS(=O)(=O)[N-]C(=O)CC[C@@H]1CCCO1	ZINC000776142841	582054056	/nfs/dbraw/zinc/05/40/56/582054056.db2.gz	AWXJGVDJCLSVAR-JTQLQIEISA-N	-1	0	288.369	0.941	20	30		CCEDRM
C#CCSCCNC(=O)N1CC[C@@H](NC(=O)[O-])C1	ZINC000738470514	582054339	/nfs/dbraw/zinc/05/43/39/582054339.db2.gz	QNYBSLWCUCQOGV-SECBINFHSA-N	-1	0	271.342	0.404	20	30		CCEDRM
CC[C@H]1CC[C@@H](C(=O)[N-]S(=O)(=O)CC(C)(C)C#N)O1	ZINC000776143617	582054500	/nfs/dbraw/zinc/05/45/00/582054500.db2.gz	IWXCKFZQWYIJCT-UWVGGRQHSA-N	-1	0	288.369	0.940	20	30		CCEDRM
CS[C@H](C)C(=O)[N-]S(=O)(=O)CC(C)(C)C#N	ZINC000776144364	582054617	/nfs/dbraw/zinc/05/46/17/582054617.db2.gz	MSOPOIWSAJBQIR-SSDOTTSWSA-N	-1	0	264.372	0.734	20	30		CCEDRM
C=CCOCC(=O)NCC[C@H]1CCN(C(=O)[O-])C1	ZINC000738490939	582055431	/nfs/dbraw/zinc/05/54/31/582055431.db2.gz	FPVDLKNJAXSVNC-JTQLQIEISA-N	-1	0	256.302	0.695	20	30		CCEDRM
C=CCNC(=O)[C@@H](C)OC(=O)[C@H]1CCN(C(=O)[O-])C1	ZINC000738495193	582055999	/nfs/dbraw/zinc/05/59/99/582055999.db2.gz	JPBJDCOOKDPSLX-BDAKNGLRSA-N	-1	0	270.285	0.220	20	30		CCEDRM
C=CCOCC(=O)NC1C[C@H]2CC[C@@H](C1)N2C(=O)[O-]	ZINC000738491519	582056055	/nfs/dbraw/zinc/05/60/55/582056055.db2.gz	MPSKDNPACHVUHZ-FGWVZKOKSA-N	-1	0	268.313	0.979	20	30		CCEDRM
COC(=O)Cn1cccc1C=NNc1nnc(C)c(=O)[n-]1	ZINC000776179744	582056627	/nfs/dbraw/zinc/05/66/27/582056627.db2.gz	WLPAVMKYTRRWCO-UHFFFAOYSA-N	-1	0	290.283	0.306	20	30		CCEDRM
C[C@@H](C(=O)N(C)CCC#N)N1CCN(C(=O)[O-])[C@H](C)C1	ZINC000738605979	582065322	/nfs/dbraw/zinc/06/53/22/582065322.db2.gz	ZBYNIVRLTDSXFV-MNOVXSKESA-N	-1	0	282.344	0.431	20	30		CCEDRM
CC(C)N(CCCNC(=O)N1CCO[C@@H](C#N)C1)C(=O)[O-]	ZINC000738847485	582082814	/nfs/dbraw/zinc/08/28/14/582082814.db2.gz	CZCJIUWDECKBIW-NSHDSACASA-N	-1	0	298.343	0.699	20	30		CCEDRM
C=CCC[C@H](NS(=O)(=O)CC1(C#N)CC1)C(=O)[O-]	ZINC000776595988	582083819	/nfs/dbraw/zinc/08/38/19/582083819.db2.gz	BOHASHLHUUMXPV-VIFPVBQESA-N	-1	0	272.326	0.629	20	30		CCEDRM
C[C@H](CC#N)NC(=O)c1csc(CNC(=O)[O-])n1	ZINC000738895590	582086846	/nfs/dbraw/zinc/08/68/46/582086846.db2.gz	WWWWIJQEHWJBSK-ZCFIWIBFSA-N	-1	0	268.298	0.943	20	30		CCEDRM
Cc1noc(CCCC(=O)N(CC#N)CC(=O)[O-])n1	ZINC000738946883	582092871	/nfs/dbraw/zinc/09/28/71/582092871.db2.gz	GFFYHCPJYIVCHO-UHFFFAOYSA-N	-1	0	266.257	0.138	20	30		CCEDRM
N#C[C@@H]1COCCN1C(=O)c1ccc(C(=O)[O-])cc1	ZINC000739068592	582100521	/nfs/dbraw/zinc/10/05/21/582100521.db2.gz	GKGNFFMZUNKYGW-LLVKDONJSA-N	-1	0	260.249	0.749	20	30		CCEDRM
N#CCN(CC(=O)[O-])C(=O)c1ccc(-c2ncon2)cc1	ZINC000739086553	582101862	/nfs/dbraw/zinc/10/18/62/582101862.db2.gz	HFNVVMKUFFSLNT-UHFFFAOYSA-N	-1	0	286.247	0.787	20	30		CCEDRM
N#CCN(CC(=O)[O-])C(=O)c1cc2ccccc2oc1=O	ZINC000739088274	582102036	/nfs/dbraw/zinc/10/20/36/582102036.db2.gz	TZAWSTLKHZSEFI-UHFFFAOYSA-N	-1	0	286.243	0.843	20	30		CCEDRM
N#Cc1c(NC(=O)CCNC(=O)[O-])nc2n1CCS2	ZINC000739094028	582102333	/nfs/dbraw/zinc/10/23/33/582102333.db2.gz	ZTWZXSPAUAGHNW-UHFFFAOYSA-N	-1	0	281.297	0.457	20	30		CCEDRM
O=C([O-])Cn1cc(C=NNCc2cccc(F)c2)nn1	ZINC000768484156	582107276	/nfs/dbraw/zinc/10/72/76/582107276.db2.gz	TXRPRPAFMQMGPR-UHFFFAOYSA-N	-1	0	277.259	0.626	20	30		CCEDRM
C[C@@H](NC(=S)NN=C1CN(C(=O)[O-])C1)C1CC1	ZINC000825465521	603578571	/nfs/dbraw/zinc/57/85/71/603578571.db2.gz	LOFPPDWUYISJNB-ZCFIWIBFSA-N	-1	0	256.331	0.599	20	30		CCEDRM
CCC[C@H](C#N)NC(=O)[C@H]1CN(C(=O)[O-])CCO1	ZINC000826706940	615033291	/nfs/dbraw/zinc/03/32/91/615033291.db2.gz	UQPSLQHQXAFCML-RKDXNWHRSA-N	-1	0	255.274	0.174	20	30		CCEDRM
C#CCCCNC(=O)N[C@H](CNC(=O)[O-])C1CC1	ZINC000823445254	612982393	/nfs/dbraw/zinc/98/23/93/612982393.db2.gz	WVHPOTQWXFIWIR-SNVBAGLBSA-N	-1	0	253.302	0.745	20	30		CCEDRM
N#Cc1ccc(Cl)c(NC(=O)C(=O)NCC(=O)[O-])c1	ZINC000819100416	596970905	/nfs/dbraw/zinc/97/09/05/596970905.db2.gz	GMNMILMWUBZAHS-UHFFFAOYSA-N	-1	0	281.655	0.351	20	30		CCEDRM
CN(CCC(=O)[O-])CCS(=O)(=O)c1ccc(C#N)cc1	ZINC000168493614	596997481	/nfs/dbraw/zinc/99/74/81/596997481.db2.gz	QJFXAWISFKOJKG-UHFFFAOYSA-N	-1	0	296.348	0.738	20	30		CCEDRM
C[C@H](C(=O)[O-])N(C)C(=O)COc1cccc(C#N)c1	ZINC000817753033	597466682	/nfs/dbraw/zinc/46/66/82/597466682.db2.gz	BHBAMFQNZBUTNR-SECBINFHSA-N	-1	0	262.265	0.869	20	30		CCEDRM
N#CCCN(CCC(=O)[O-])CCN1CCOCC1	ZINC000819090897	597492689	/nfs/dbraw/zinc/49/26/89/597492689.db2.gz	LAQKWSWXJJXMFK-UHFFFAOYSA-N	-1	0	255.318	0.009	20	30		CCEDRM
N#Cc1ccsc1NC(=O)CN1CC[C@@H](C(=O)[O-])C1	ZINC000062134583	597534876	/nfs/dbraw/zinc/53/48/76/597534876.db2.gz	JVOMGHGFYQDCDU-SECBINFHSA-N	-1	0	279.321	0.965	20	30		CCEDRM
C[C@H]1COCCN(C(=O)[C@](C)(C#N)CC(=O)[O-])C1	ZINC000820251898	597603738	/nfs/dbraw/zinc/60/37/38/597603738.db2.gz	PTUYBTLOWCYWNM-SKDRFNHKSA-N	-1	0	254.286	0.486	20	30		CCEDRM
Cc1cc(CNC(=O)[C@](C)(C#N)CC(=O)[O-])ncn1	ZINC000820976612	597605028	/nfs/dbraw/zinc/60/50/28/597605028.db2.gz	LNEDSYMHZUHXNC-LBPRGKRZSA-N	-1	0	262.269	0.406	20	30		CCEDRM
Cc1ccnc(COC(=O)[C@](C)(C#N)CC(=O)[O-])n1	ZINC000821131344	597621568	/nfs/dbraw/zinc/62/15/68/597621568.db2.gz	YSDQFQQSADPKCO-LBPRGKRZSA-N	-1	0	263.253	0.833	20	30		CCEDRM
C[C@@H](OC(=O)[C@](C)(C#N)CC(=O)[O-])C(=O)N(C)CCC#N	ZINC000820160726	597626211	/nfs/dbraw/zinc/62/62/11/597626211.db2.gz	HMUNUCJSGHJONN-RNCFNFMXSA-N	-1	0	295.295	0.295	20	30		CCEDRM
C[C@H](OC(=O)[C@@](C)(C#N)CC(=O)[O-])C(=O)N(C)CCC#N	ZINC000820160727	597626371	/nfs/dbraw/zinc/62/63/71/597626371.db2.gz	HMUNUCJSGHJONN-TVQRCGJNSA-N	-1	0	295.295	0.295	20	30		CCEDRM
C[C@](C#N)(CC(=O)[O-])C(=O)NCc1cn2ccccc2n1	ZINC000819848372	597630138	/nfs/dbraw/zinc/63/01/38/597630138.db2.gz	RWONXWZRKYKPRR-CQSZACIVSA-N	-1	0	286.291	0.955	20	30		CCEDRM
C[C@@](C#N)(CC(=O)[O-])C(=O)N1CC[C@](O)(C(F)(F)F)C1	ZINC000819811907	597649501	/nfs/dbraw/zinc/64/95/01/597649501.db2.gz	WSHXETITDINJGV-VHSXEESVSA-N	-1	0	294.229	0.517	20	30		CCEDRM
C[C@@](C#N)(CC(=O)[O-])C(=O)NCC(=O)OC1CCCCC1	ZINC000819834788	597652650	/nfs/dbraw/zinc/65/26/50/597652650.db2.gz	PCUHPYRSGBREII-AWEZNQCLSA-N	-1	0	296.323	0.983	20	30		CCEDRM
C[C@](C#N)(CC(=O)[O-])C(=O)N[C@H]1c2ccccc2C[C@H]1O	ZINC000819847438	597658850	/nfs/dbraw/zinc/65/88/50/597658850.db2.gz	MJBWFACRTZFZMK-OSAQELSMSA-N	-1	0	288.303	0.765	20	30		CCEDRM
C[C@](C#N)(CC(=O)[O-])C(=O)N[C@@H]1CCCC2(C1)OCCO2	ZINC000819823443	597725796	/nfs/dbraw/zinc/72/57/96/597725796.db2.gz	UYOHCZRBIBFUAP-ZWNOBZJWSA-N	-1	0	296.323	0.793	20	30		CCEDRM
Cc1nn2c(C=NNCCC(=O)[O-])c(C)nc2s1	ZINC000821216604	597741502	/nfs/dbraw/zinc/74/15/02/597741502.db2.gz	IINFXTQFQZBDJU-UHFFFAOYSA-N	-1	0	267.314	0.806	20	30		CCEDRM
O=C([O-])CNC(=O)CON=Cc1ccc(F)cc1	ZINC000821531968	597761064	/nfs/dbraw/zinc/76/10/64/597761064.db2.gz	FVQXNHPKJHOHHJ-UHFFFAOYSA-N	-1	0	254.217	0.377	20	30		CCEDRM
C[C@@](C#N)(CC(=O)[O-])C(=O)NCCc1ccco1	ZINC000819841551	598222229	/nfs/dbraw/zinc/22/22/29/598222229.db2.gz	APCNSAYFWMHVOK-LBPRGKRZSA-N	-1	0	250.254	0.943	20	30		CCEDRM
C[C@H](NC(=O)[C@@](C)(C#N)CC(=O)[O-])[C@@H]1CCCO1	ZINC000820113799	598223570	/nfs/dbraw/zinc/22/35/70/598223570.db2.gz	GRNBATUIVRRGPU-HOTUBEGUSA-N	-1	0	254.286	0.675	20	30		CCEDRM
Cn1cnc2c1CCN(C(=O)[C@@](C)(C#N)CC(=O)[O-])C2	ZINC000821310222	598226192	/nfs/dbraw/zinc/22/61/92/598226192.db2.gz	ATQLARILNNXLEG-CYBMUJFWSA-N	-1	0	276.296	0.309	20	30		CCEDRM
C[C@@](C#N)(CC(=O)[O-])C(=O)NCCCO[C@@H]1CCOC1	ZINC000819834864	598229952	/nfs/dbraw/zinc/22/99/52/598229952.db2.gz	POXYSYHFYMOPMV-MFKMUULPSA-N	-1	0	284.312	0.303	20	30		CCEDRM
C[C@](C#N)(CC(=O)[O-])C(=O)N[C@H]1CCC[C@H](C(N)=O)C1	ZINC000819823052	598230558	/nfs/dbraw/zinc/23/05/58/598230558.db2.gz	RLOMPSLIRHGTJW-MWODSPESSA-N	-1	0	281.312	0.151	20	30		CCEDRM
C#CCOCCOC(=O)c1csc(CNC(=O)[O-])n1	ZINC000823463880	612991309	/nfs/dbraw/zinc/99/13/09/612991309.db2.gz	XIDXOTZUTSLJNT-UHFFFAOYSA-N	-1	0	284.293	0.717	20	30		CCEDRM
C#CCO[C@@H](C)C(=O)[N-]S(=O)(=O)c1ccccc1	ZINC000835027766	612996870	/nfs/dbraw/zinc/99/68/70/612996870.db2.gz	GUDCLNMSINEBIY-JTQLQIEISA-N	-1	0	267.306	0.530	20	30		CCEDRM
C[C@@]1(c2cccc(C#N)c2)NC(=O)N(CC(=O)[O-])C1=O	ZINC000070092683	600025868	/nfs/dbraw/zinc/02/58/68/600025868.db2.gz	HRFINHFMNIIYCU-ZDUSSCGKSA-N	-1	0	273.248	0.410	20	30		CCEDRM
C=C(Br)CN1C[C@H](O)C[C@H]1C(=O)[O-]	ZINC000229080859	600230312	/nfs/dbraw/zinc/23/03/12/600230312.db2.gz	XMSHXAMUCXGGDC-RQJHMYQMSA-N	-1	0	250.092	0.415	20	30		CCEDRM
C=CCN(CC=C)S(=O)(=O)c1n[nH]c(C)c1C(=O)[O-]	ZINC000070197661	600337465	/nfs/dbraw/zinc/33/74/65/600337465.db2.gz	SXCRNOUKPIRZOH-UHFFFAOYSA-N	-1	0	285.325	0.779	20	30		CCEDRM
N#C[C@H]1CN(C(=O)NCCCCC(=O)[O-])CCN1C1CC1	ZINC000739069237	600465731	/nfs/dbraw/zinc/46/57/31/600465731.db2.gz	ODRBUPLLNPCHEF-LBPRGKRZSA-N	-1	0	294.355	0.623	20	30		CCEDRM
C#CCNC(=O)NC[C@H]1[C@H](C)OC(C)(C)N1C(=O)[O-]	ZINC000823455205	612947118	/nfs/dbraw/zinc/94/71/18/612947118.db2.gz	ASNMGLASBWHXEE-IUCAKERBSA-N	-1	0	269.301	0.422	20	30		CCEDRM
C#CCSCCNC(=O)c1ccc(C(=O)[O-])nc1	ZINC000231965211	600552412	/nfs/dbraw/zinc/55/24/12/600552412.db2.gz	XZSFWAFQIZLWRJ-UHFFFAOYSA-N	-1	0	264.306	0.876	20	30		CCEDRM
C#CCCNS(=O)(=O)c1cc(C(=O)[O-])cs1	ZINC000069769028	600652112	/nfs/dbraw/zinc/65/21/12/600652112.db2.gz	OVCWDIUKXFPZFG-UHFFFAOYSA-N	-1	0	259.308	0.748	20	30		CCEDRM
C#CCCNS(=O)(=O)c1cc(C(=O)[O-])ccc1C	ZINC000070984803	600652139	/nfs/dbraw/zinc/65/21/39/600652139.db2.gz	KKGYOPPRLGBJSB-UHFFFAOYSA-N	-1	0	267.306	0.995	20	30		CCEDRM
C[C@@H](CC#N)NS(=O)(=O)c1c[nH]c(C(=O)[O-])c1	ZINC000050391980	600729102	/nfs/dbraw/zinc/72/91/02/600729102.db2.gz	DKRMKIGOLZBQIF-LURJTMIESA-N	-1	0	257.271	0.293	20	30		CCEDRM
C#CCNS(=O)(=O)c1ccc(C)c(C(=O)[O-])c1	ZINC000013077165	600766398	/nfs/dbraw/zinc/76/63/98/600766398.db2.gz	BCVAXYWRVVMGHB-UHFFFAOYSA-N	-1	0	253.279	0.605	20	30		CCEDRM
N#CCN(CC(=O)[O-])C(=O)CCCOc1cccnc1	ZINC000833065907	600891575	/nfs/dbraw/zinc/89/15/75/600891575.db2.gz	KCKNPKAQDAHFKY-UHFFFAOYSA-N	-1	0	277.280	0.677	20	30		CCEDRM
Cc1cc(NC(=O)CCN(CC#N)CC(=O)[O-])no1	ZINC000832892481	601003405	/nfs/dbraw/zinc/00/34/05/601003405.db2.gz	BGLYLQBCQYFKTG-UHFFFAOYSA-N	-1	0	266.257	0.222	20	30		CCEDRM
N#CCN(CCCCCn1cccn1)CC(=O)[O-]	ZINC000833067494	601005449	/nfs/dbraw/zinc/00/54/49/601005449.db2.gz	VXUYGXBFQGCQIL-UHFFFAOYSA-N	-1	0	250.302	0.964	20	30		CCEDRM
N#CCCN(CC(=O)N1CCC(C(=O)[O-])CC1)CC1CC1	ZINC000833066145	601012009	/nfs/dbraw/zinc/01/20/09/601012009.db2.gz	XBOOCNFNHJMMPP-UHFFFAOYSA-N	-1	0	293.367	0.935	20	30		CCEDRM
C#CCSCC(=O)[N-]S(=O)(=O)c1c(C)noc1C	ZINC000892413007	613013022	/nfs/dbraw/zinc/01/30/22/613013022.db2.gz	VSOYKBISJCRZFL-UHFFFAOYSA-N	-1	0	288.350	0.463	20	30		CCEDRM
CCN(CCC#N)S(=O)(=O)CC1(CC(=O)[O-])CC1	ZINC000829697371	601132020	/nfs/dbraw/zinc/13/20/20/601132020.db2.gz	JJQDURWWOMRDIL-UHFFFAOYSA-N	-1	0	274.342	0.807	20	30		CCEDRM
Cn1cc(C#N)c(NC(=O)N2CC[C@@H](C(=O)[O-])C2)n1	ZINC000819063897	601137626	/nfs/dbraw/zinc/13/76/26/601137626.db2.gz	UTXJPWNLZPEGLB-SSDOTTSWSA-N	-1	0	263.257	0.230	20	30		CCEDRM
Cn1cc(C#N)c(NC(=O)N2CCC[C@H](C(=O)[O-])C2)n1	ZINC000833040819	601138216	/nfs/dbraw/zinc/13/82/16/601138216.db2.gz	RRKNNHYETCSDAR-QMMMGPOBSA-N	-1	0	277.284	0.620	20	30		CCEDRM
Cn1cc(C#N)c(NC(=O)NCc2ccc(C(=O)[O-])o2)n1	ZINC000833041139	601138440	/nfs/dbraw/zinc/13/84/40/601138440.db2.gz	YWVHIZAXEOPJJT-UHFFFAOYSA-N	-1	0	289.251	0.905	20	30		CCEDRM
N#CCN(CC(=O)[O-])C[C@H](O)c1ccc(F)c(F)c1	ZINC000833066808	601226334	/nfs/dbraw/zinc/22/63/34/601226334.db2.gz	JTSVKZPCJOFETQ-NSHDSACASA-N	-1	0	270.235	0.908	20	30		CCEDRM
Cn1cc(C#N)cc1C(=O)N[C@@](C)(C(=O)[O-])C1CC1	ZINC000833040394	601268660	/nfs/dbraw/zinc/26/86/60/601268660.db2.gz	FKQBDBJXOUWELS-CYBMUJFWSA-N	-1	0	261.281	0.880	20	30		CCEDRM
Cc1nnc(N2CC[C@](F)(C(=O)[O-])C2)c(C#N)c1C	ZINC000833021895	601379922	/nfs/dbraw/zinc/37/99/22/601379922.db2.gz	RMAUJZZZAJQLLL-GFCCVEGCSA-N	-1	0	264.260	0.968	20	30		CCEDRM
N#CCNC(=O)CN1CCc2ccccc2[C@H]1C(=O)[O-]	ZINC000043594144	601547156	/nfs/dbraw/zinc/54/71/56/601547156.db2.gz	LYHFSLWGBZOMJJ-ZDUSSCGKSA-N	-1	0	273.292	0.310	20	30		CCEDRM
N#Cc1cc(F)ccc1CN1CCOC[C@H]1C(=O)[O-]	ZINC000088380351	601559894	/nfs/dbraw/zinc/55/98/94/601559894.db2.gz	SJNABSMEVNGKST-LBPRGKRZSA-N	-1	0	264.256	0.983	20	30		CCEDRM
Cc1nn(CC(=O)Nc2ccc(C(=O)[O-])cc2)c(N)c1C#N	ZINC000833015030	601601008	/nfs/dbraw/zinc/60/10/08/601601008.db2.gz	DIRPSKXARCLYBM-UHFFFAOYSA-N	-1	0	299.290	0.982	20	30		CCEDRM
N#Cc1ccc(C(=O)N2CC[C@](F)(C(=O)[O-])C2)nc1	ZINC000833070661	601657030	/nfs/dbraw/zinc/65/70/30/601657030.db2.gz	QAJQGZGRIJPZGC-GFCCVEGCSA-N	-1	0	263.228	0.592	20	30		CCEDRM
C#CCNC(=O)[C@@H](C)OC(=O)C[C@H]1CCCN1C(=O)[O-]	ZINC000823457443	612948581	/nfs/dbraw/zinc/94/85/81/612948581.db2.gz	ZOLKHLJFAMWPGK-NXEZZACHSA-N	-1	0	282.296	0.200	20	30		CCEDRM
N#CCN(CC(=O)[O-])C(=O)Cc1c[nH]c2ncccc12	ZINC000833065926	601673631	/nfs/dbraw/zinc/67/36/31/601673631.db2.gz	LFQREVHKADCUSM-UHFFFAOYSA-N	-1	0	272.264	0.542	20	30		CCEDRM
N#CCN(CC(=O)[O-])C(=O)Cc1ccc(F)c(F)c1	ZINC000833066188	601680337	/nfs/dbraw/zinc/68/03/37/601680337.db2.gz	PZUIZFITGGFMJJ-UHFFFAOYSA-N	-1	0	268.219	0.944	20	30		CCEDRM
C[C@@H]1CN(C(=O)c2ccc(C#N)cn2)C[C@H]1C(=O)[O-]	ZINC000104211914	601692320	/nfs/dbraw/zinc/69/23/20/601692320.db2.gz	RSRBUCOROINXDZ-PSASIEDQSA-N	-1	0	259.265	0.746	20	30		CCEDRM
C[C@@H]1CN(C(=O)c2cc(C#N)cn2C)C[C@H]1C(=O)[O-]	ZINC000828386831	601694137	/nfs/dbraw/zinc/69/41/37/601694137.db2.gz	OSSPGPONAHVNDG-PSASIEDQSA-N	-1	0	261.281	0.689	20	30		CCEDRM
CC(C)CN(CCC#N)S(=O)(=O)C[C@@H](C)C(=O)[O-]	ZINC000826870856	601786996	/nfs/dbraw/zinc/78/69/96/601786996.db2.gz	COFIAQPSNRGTSF-SNVBAGLBSA-N	-1	0	276.358	0.909	20	30		CCEDRM
C#CCSCCNC(=O)N1CCN(C(=O)[O-])[C@@H](C)C1	ZINC000823467482	613015937	/nfs/dbraw/zinc/01/59/37/613015937.db2.gz	XSSPMEHCAHKXTJ-JTQLQIEISA-N	-1	0	285.369	0.747	20	30		CCEDRM
C#CCNC(=O)[C@@H](C)OC(=O)[C@@H](CC(C)C)NC(=O)[O-]	ZINC000825618437	612948932	/nfs/dbraw/zinc/94/89/32/612948932.db2.gz	BRUFEGJAEBUDEN-NXEZZACHSA-N	-1	0	284.312	0.350	20	30		CCEDRM
C#CCSCCNC(=O)Cc1cc(=O)n(CC(C)C)[n-]1	ZINC000933342369	613015766	/nfs/dbraw/zinc/01/57/66/613015766.db2.gz	FTQLVGVMYSGOSD-UHFFFAOYSA-N	-1	0	295.408	0.858	20	30		CCEDRM
CN(CCNC(=O)COc1ccccc1C#N)C(=O)[O-]	ZINC000739693354	602299742	/nfs/dbraw/zinc/29/97/42/602299742.db2.gz	XNCUFJJSJIYFAR-UHFFFAOYSA-N	-1	0	277.280	0.663	20	30		CCEDRM
O=C([O-])CN(C(=O)C#Cc1ccc2c(c1)OCO2)C1CC1	ZINC000833241453	602392748	/nfs/dbraw/zinc/39/27/48/602392748.db2.gz	DHNXTXUYUSHFBY-UHFFFAOYSA-N	-1	0	287.271	0.842	20	30		CCEDRM
C=C(C)COCCNC(=O)N1CCO[C@@H](CC(=O)[O-])C1	ZINC000164152300	602401283	/nfs/dbraw/zinc/40/12/83/602401283.db2.gz	IGYHBIFRZHHPEK-NSHDSACASA-N	-1	0	286.328	0.464	20	30		CCEDRM
C#CC1(NC(=O)[C@@H]2CC[C@H](C(=O)[O-])O2)CCCC1	ZINC000887316364	612950217	/nfs/dbraw/zinc/95/02/17/612950217.db2.gz	OVDOCCKMNYJJHG-VHSXEESVSA-N	-1	0	251.282	0.681	20	30		CCEDRM
N#C[C@H]1CN(C(=O)C[C@H]2CCCN2C(=O)[O-])CCO1	ZINC000831076717	602872524	/nfs/dbraw/zinc/87/25/24/602872524.db2.gz	RNAKCTXHJHKSTG-ZJUUUORDSA-N	-1	0	267.285	0.270	20	30		CCEDRM
C#CCNC(=O)[C@H](C)OC(=O)CN(CC1CC1)C(=O)[O-]	ZINC000823456635	612950666	/nfs/dbraw/zinc/95/06/66/612950666.db2.gz	NXDQEEDXDMZLGQ-VIFPVBQESA-N	-1	0	282.296	0.058	20	30		CCEDRM
C#CCNC(=O)[C@H](C)OC(=O)C1(NC(=O)[O-])CCCCC1	ZINC000823456335	612950682	/nfs/dbraw/zinc/95/06/82/612950682.db2.gz	LSBNLIQVJQDCMW-JTQLQIEISA-N	-1	0	296.323	0.638	20	30		CCEDRM
N#Cc1ccc(C(=O)N2CCC[C@H]2CNC(=O)[O-])cn1	ZINC000831122822	603123935	/nfs/dbraw/zinc/12/39/35/603123935.db2.gz	SUFFUEKOAXYMNU-NSHDSACASA-N	-1	0	274.280	0.825	20	30		CCEDRM
N#CC1(NC(=O)CN(CC2CC2)C(=O)[O-])CCC1	ZINC000831070494	603419664	/nfs/dbraw/zinc/41/96/64/603419664.db2.gz	MBUCCCDLNFYWIQ-UHFFFAOYSA-N	-1	0	251.286	0.939	20	30		CCEDRM
N#Cc1cnn(C(=O)c2ccc(CNC(=O)[O-])o2)c1N	ZINC000831161890	603521303	/nfs/dbraw/zinc/52/13/03/603521303.db2.gz	PDHYDEQBQIZDEB-UHFFFAOYSA-N	-1	0	275.224	0.386	20	30		CCEDRM
N#C[C@@]1(NC(=O)CC2CN(C(=O)[O-])C2)CCSC1	ZINC000831069947	603569539	/nfs/dbraw/zinc/56/95/39/603569539.db2.gz	AWZYVQQERVAAHW-NSHDSACASA-N	-1	0	269.326	0.502	20	30		CCEDRM
N#C[C@@H]1CN(C(=O)[O-])CCN1C(=O)CCc1ccncc1	ZINC000831082839	603602483	/nfs/dbraw/zinc/60/24/83/603602483.db2.gz	SCUZJRMRQSQHQH-GFCCVEGCSA-N	-1	0	288.307	0.729	20	30		CCEDRM
C[C@H](COC(=O)c1cc(C#N)cn1C)NC(=O)[O-]	ZINC000824993762	603674732	/nfs/dbraw/zinc/67/47/32/603674732.db2.gz	CBLSJGWZLWWJPI-SSDOTTSWSA-N	-1	0	251.242	0.710	20	30		CCEDRM
C[C@@H]1OC(C)(C)N(C(=O)[O-])[C@H]1C(=O)N1CCO[C@H](C#N)C1	ZINC000826101774	603761621	/nfs/dbraw/zinc/76/16/21/603761621.db2.gz	QDNUZMBSYQONBW-IVZWLZJFSA-N	-1	0	297.311	0.241	20	30		CCEDRM
C[C@H](CN(C)C(=O)[O-])C(=O)NC[C@H]1CCCN(CC#N)C1	ZINC000824855209	603914941	/nfs/dbraw/zinc/91/49/41/603914941.db2.gz	PMGROJCPRJXDLJ-VXGBXAGGSA-N	-1	0	296.371	0.584	20	30		CCEDRM
C[C@H](C#N)OC(=O)CN(C[C@@H]1CCCO1)C(=O)[O-]	ZINC000823647746	603915408	/nfs/dbraw/zinc/91/54/08/603915408.db2.gz	NHILDGKSSVONMN-BDAKNGLRSA-N	-1	0	256.258	0.601	20	30		CCEDRM
N#C[C@@H]1CCC[C@@H]1NC(=O)[C@H]1CCCN1C(=O)[O-]	ZINC000831076592	603959101	/nfs/dbraw/zinc/95/91/01/603959101.db2.gz	PKGCKRSEUTXIEP-LPEHRKFASA-N	-1	0	251.286	0.937	20	30		CCEDRM
N#Cc1cnccc1NC(=O)[C@@H]1CC[C@@H](NC(=O)[O-])C1	ZINC000831161744	603984668	/nfs/dbraw/zinc/98/46/68/603984668.db2.gz	KSIRIKBRVGCKIF-PSASIEDQSA-N	-1	0	274.280	0.750	20	30		CCEDRM
Cc1cc(OCC(=O)N2CCN(C(=O)[O-])C[C@H]2C#N)no1	ZINC000830129605	604065733	/nfs/dbraw/zinc/06/57/33/604065733.db2.gz	UIHJAVODLCCVAU-SECBINFHSA-N	-1	0	294.267	0.076	20	30		CCEDRM
N#C[C@@H]1CN(C(=O)[O-])CCN1C(=O)c1ccc(=O)[nH]c1	ZINC000831087355	604066371	/nfs/dbraw/zinc/06/63/71/604066371.db2.gz	KKRPKGTVUAZFON-SECBINFHSA-N	-1	0	276.252	0.115	20	30		CCEDRM
N#Cc1ccc(C(=O)N2CCN(C(=O)[O-])C[C@H]2C#N)s1	ZINC000831122748	604069862	/nfs/dbraw/zinc/06/98/62/604069862.db2.gz	QHLZJDOCXQOUBQ-MRVPVSSYSA-N	-1	0	290.304	0.948	20	30		CCEDRM
Cc1[nH]nc(C(=O)N2CCN(C(=O)[O-])C[C@H]2C#N)c1C	ZINC000829832890	604074652	/nfs/dbraw/zinc/07/46/52/604074652.db2.gz	BLYSUJVYTIKYPH-SECBINFHSA-N	-1	0	277.284	0.355	20	30		CCEDRM
N#C[C@H]1CN(C(=O)[O-])CCN1C(=O)CCc1ccccn1	ZINC000831082532	604075041	/nfs/dbraw/zinc/07/50/41/604075041.db2.gz	NBXNUNSNTCJJQC-LBPRGKRZSA-N	-1	0	288.307	0.729	20	30		CCEDRM
CS(=O)(=O)[C@H]1CCCCC1=NNCCC(=O)[O-]	ZINC000820886139	617183460	/nfs/dbraw/zinc/18/34/60/617183460.db2.gz	XHXPFLYDUVNPAL-VIFPVBQESA-N	-1	0	262.331	0.394	20	30		CCEDRM
N#C[C@@H]1CN(C(=O)[O-])CCN1C(=O)c1ccon1	ZINC000831092787	604079281	/nfs/dbraw/zinc/07/92/81/604079281.db2.gz	YVDZWOSHFZFBAU-SSDOTTSWSA-N	-1	0	250.214	0.003	20	30		CCEDRM
N#Cc1ccsc1C(=O)N1CCN(C(=O)[O-])C[C@H]1C#N	ZINC000831156801	604080749	/nfs/dbraw/zinc/08/07/49/604080749.db2.gz	LCNGPHBYMAAJAN-SECBINFHSA-N	-1	0	290.304	0.948	20	30		CCEDRM
Cc1nc(C)c(C(=O)N2CCN(C(=O)[O-])C[C@H]2C#N)o1	ZINC000830716101	604083405	/nfs/dbraw/zinc/08/34/05/604083405.db2.gz	OCGCHQZAEXJTKY-SECBINFHSA-N	-1	0	278.268	0.619	20	30		CCEDRM
C[C@@H](CN(C)C(=O)[O-])C(=O)Nc1ccncc1C#N	ZINC000824880879	604179705	/nfs/dbraw/zinc/17/97/05/604179705.db2.gz	OSEILHUUBDSRDR-QMMMGPOBSA-N	-1	0	262.269	0.560	20	30		CCEDRM
N#C[C@H](C(=O)NC1CC1)C(=O)[C@@H]1CC[C@@H](NC(=O)[O-])C1	ZINC000831063982	604221827	/nfs/dbraw/zinc/22/18/27/604221827.db2.gz	AIQQCHYDQZMSMS-QNSHHTMESA-N	-1	0	279.296	0.410	20	30		CCEDRM
N#CCNC(=O)CN1CCC(N(CC2CC2)C(=O)[O-])CC1	ZINC000831102320	604236358	/nfs/dbraw/zinc/23/63/58/604236358.db2.gz	GKSSKVGQPRFWOJ-UHFFFAOYSA-N	-1	0	294.355	0.481	20	30		CCEDRM
C[C@@H](CN(C)C(=O)[O-])C(=O)O[C@@H](C)C(=O)N(C)CCC#N	ZINC000824880829	604246659	/nfs/dbraw/zinc/24/66/59/604246659.db2.gz	NTTGSRWEBIFZJI-UWVGGRQHSA-N	-1	0	299.327	0.536	20	30		CCEDRM
N#Cc1ncn(CC(=O)N[C@H](CC(=O)[O-])c2ccccc2)n1	ZINC000833079123	604271537	/nfs/dbraw/zinc/27/15/37/604271537.db2.gz	UFFVBEKBLWMCLH-LLVKDONJSA-N	-1	0	299.290	0.482	20	30		CCEDRM
N#C[C@@H]1CN(C(=O)[O-])CCN1C(=O)Cc1ccco1	ZINC000831082505	604275518	/nfs/dbraw/zinc/27/55/18/604275518.db2.gz	MNFKCLGSEPLQTR-SECBINFHSA-N	-1	0	263.253	0.536	20	30		CCEDRM
N#Cc1ncn(CC(=O)Nc2ccc(CCC(=O)[O-])cc2)n1	ZINC000833078294	604308493	/nfs/dbraw/zinc/30/84/93/604308493.db2.gz	FXZBFQOLYXKABU-UHFFFAOYSA-N	-1	0	299.290	0.806	20	30		CCEDRM
Cc1[nH]c(C(=O)[O-])c(C)c1C(=O)N1CCO[C@@H](C#N)C1	ZINC000161269060	604308792	/nfs/dbraw/zinc/30/87/92/604308792.db2.gz	YDOFNMXFNSWTCC-VIFPVBQESA-N	-1	0	277.280	0.694	20	30		CCEDRM
C[C@H](NC(=O)[O-])[C@H]1CN(c2ncccc2C#N)CCO1	ZINC000825372208	604453007	/nfs/dbraw/zinc/45/30/07/604453007.db2.gz	LXOZMSDNNJIJEV-GXSJLCMTSA-N	-1	0	276.296	0.815	20	30		CCEDRM
N#C[C@H]1CN(C(=O)[O-])CCN1C(=O)c1cc[nH]c(=O)c1	ZINC000831086387	604524587	/nfs/dbraw/zinc/52/45/87/604524587.db2.gz	DORLDTLOSHIJAU-VIFPVBQESA-N	-1	0	276.252	0.115	20	30		CCEDRM
N#CC1(C(=O)N2CCC[C@H]2CC(=O)[O-])CCOCC1	ZINC000833065236	604578399	/nfs/dbraw/zinc/57/83/99/604578399.db2.gz	WAPNZBOYMVMWMV-JTQLQIEISA-N	-1	0	266.297	0.772	20	30		CCEDRM
C[C@@H](NC(=O)[O-])[C@@H]1CN(C(=O)C(C)(C)C#N)CCO1	ZINC000825295735	604701449	/nfs/dbraw/zinc/70/14/49/604701449.db2.gz	WMMCLGZBGZWQSA-BDAKNGLRSA-N	-1	0	269.301	0.420	20	30		CCEDRM
N#CCN1CCC(OC(=O)[C@H]2C[C@H]2C(=O)[O-])CC1	ZINC000833067797	604733989	/nfs/dbraw/zinc/73/39/89/604733989.db2.gz	ZZJLEZPHXZABCS-ZJUUUORDSA-N	-1	0	252.270	0.238	20	30		CCEDRM
N#CCCN(CCC#N)C(=O)[C@@H]1CN(C(=O)[O-])CCO1	ZINC000831097948	604742278	/nfs/dbraw/zinc/74/22/78/604742278.db2.gz	ZONRYHLBTINJGI-JTQLQIEISA-N	-1	0	280.284	0.021	20	30		CCEDRM
N#Cc1ccc(NC(=O)C(=O)NCCC(=O)[O-])c(F)c1	ZINC000819100646	604822699	/nfs/dbraw/zinc/82/26/99/604822699.db2.gz	VMBRXGADHWFQFB-UHFFFAOYSA-N	-1	0	279.227	0.227	20	30		CCEDRM
COc1cc(CNC(=O)c2cc(=O)[nH][n-]2)ccc1C#N	ZINC000812250439	617187655	/nfs/dbraw/zinc/18/76/55/617187655.db2.gz	JSLPEABWXLKZEX-UHFFFAOYSA-N	-1	0	272.264	0.059	20	30		CCEDRM
O=C([O-])N[C@H]1CCN(C(=O)C#Cc2ccccc2)C1	ZINC000832364629	605129723	/nfs/dbraw/zinc/12/97/23/605129723.db2.gz	COJCSVAIIKKMHQ-LBPRGKRZSA-N	-1	0	258.277	0.907	20	30		CCEDRM
C#CCN(CC)S(=O)(=O)c1cc(C(=O)[O-])co1	ZINC000694208916	605197437	/nfs/dbraw/zinc/19/74/37/605197437.db2.gz	AHUWQANTUSVTEM-UHFFFAOYSA-N	-1	0	257.267	0.622	20	30		CCEDRM
N#Cc1ccc(NC(=O)C(=O)NCCNC(=O)[O-])c(F)c1	ZINC000831136874	605357088	/nfs/dbraw/zinc/35/70/88/605357088.db2.gz	LCOUIQGEFDXJKE-UHFFFAOYSA-N	-1	0	294.242	0.020	20	30		CCEDRM
C#CCOCCNS(=O)(=O)c1ccc(C)c(C(=O)[O-])c1	ZINC000833366251	605420312	/nfs/dbraw/zinc/42/03/12/605420312.db2.gz	NSNCCZLKULXHCH-UHFFFAOYSA-N	-1	0	297.332	0.621	20	30		CCEDRM
N#C[C@H]1CN(C(=O)CC[C@H]2CCN(C(=O)[O-])C2)CCO1	ZINC000833966142	605458505	/nfs/dbraw/zinc/45/85/05/605458505.db2.gz	ICAPJJGYRJAJMG-QWRGUYRKSA-N	-1	0	281.312	0.517	20	30		CCEDRM
C[C@H](NC(=O)[O-])[C@H]1CN(c2cnccc2C#N)CCO1	ZINC000833820523	605651422	/nfs/dbraw/zinc/65/14/22/605651422.db2.gz	RWUSCMWBEXJHGI-JOYOIKCWSA-N	-1	0	276.296	0.815	20	30		CCEDRM
Cn1cc(CCCN[C@@H]2CN(C(=O)[O-])C[C@H]2C#N)cn1	ZINC000833946607	605684596	/nfs/dbraw/zinc/68/45/96/605684596.db2.gz	IVYKMZCTBNNESQ-VXGBXAGGSA-N	-1	0	277.328	0.444	20	30		CCEDRM
N#C[C@H]1CN(C(=O)[O-])CCN1C(=O)[C@H]1CCCCO1	ZINC000831075694	605710717	/nfs/dbraw/zinc/71/07/17/605710717.db2.gz	BYOHABKXQSRCKB-VHSXEESVSA-N	-1	0	267.285	0.270	20	30		CCEDRM
N#Cc1cc(-c2nc([C@H]3COCCN3C(=O)[O-])no2)c[nH]1	ZINC000833970580	605717956	/nfs/dbraw/zinc/71/79/56/605717956.db2.gz	VWEHOIVRXCCVFY-SECBINFHSA-N	-1	0	289.251	0.988	20	30		CCEDRM
N#CCCCCS(=O)(=O)NC[C@@H](NC(=O)[O-])C1CC1	ZINC000833969536	605803717	/nfs/dbraw/zinc/80/37/17/605803717.db2.gz	VDDQKSZGVMUOAN-SNVBAGLBSA-N	-1	0	289.357	0.646	20	30		CCEDRM
C[C@@]1(C(=O)OCC(=O)NCC#N)CCCCN1C(=O)[O-]	ZINC000833821354	605865280	/nfs/dbraw/zinc/86/52/80/605865280.db2.gz	CZXSOBNPANVBNZ-LBPRGKRZSA-N	-1	0	283.284	0.092	20	30		CCEDRM
C#CCCNS(=O)(=O)c1cc(C(=O)[O-])oc1CC	ZINC000833365722	613048117	/nfs/dbraw/zinc/04/81/17/613048117.db2.gz	XYRIHGOUWCZTIJ-UHFFFAOYSA-N	-1	0	271.294	0.842	20	30		CCEDRM
N#CC1(COC(=O)CO[C@H]2CCCN(C(=O)[O-])C2)CC1	ZINC000833964427	606001295	/nfs/dbraw/zinc/00/12/95/606001295.db2.gz	GVINUELZNJBMRR-JTQLQIEISA-N	-1	0	282.296	0.992	20	30		CCEDRM
N#CCCN(CCC#N)C(=O)[C@@H](CC(F)F)NC(=O)[O-]	ZINC000833965614	606018200	/nfs/dbraw/zinc/01/82/00/606018200.db2.gz	PEEOYEITXYBWPG-MRVPVSSYSA-N	-1	0	288.254	0.934	20	30		CCEDRM
N#C[C@@H]1CN(C(=O)[O-])CCN1C(=O)[C@H]1CCCCS1	ZINC000833967478	606032572	/nfs/dbraw/zinc/03/25/72/606032572.db2.gz	RFSHKKUWELDJNN-NXEZZACHSA-N	-1	0	283.353	0.986	20	30		CCEDRM
N#C[C@H]1CN(C(=O)CCC2CCN(C(=O)[O-])CC2)CCO1	ZINC000833967476	606039853	/nfs/dbraw/zinc/03/98/53/606039853.db2.gz	RFQVUSOWJIPMRK-LBPRGKRZSA-N	-1	0	295.339	0.908	20	30		CCEDRM
N#C[C@H]1COCCN1C(=O)[C@@H](CC(F)F)NC(=O)[O-]	ZINC000833965618	606059332	/nfs/dbraw/zinc/05/93/32/606059332.db2.gz	CHFMXZWNISXWAU-NKWVEPMBSA-N	-1	0	277.227	0.029	20	30		CCEDRM
C#CCCS(=O)(=O)[N-]C(=O)C(C)(Cl)Cl	ZINC000810782351	613052484	/nfs/dbraw/zinc/05/24/84/613052484.db2.gz	NMVUOQNSMAYDKZ-UHFFFAOYSA-N	-1	0	258.126	0.650	20	30		CCEDRM
C#CCCS(=O)(=O)[N-]C(=O)CCCCCC#N	ZINC000810780926	613052798	/nfs/dbraw/zinc/05/27/98/613052798.db2.gz	XGTFZUGSXUONMV-UHFFFAOYSA-N	-1	0	256.327	0.930	20	30		CCEDRM
Cc1cc(C)c(C(=O)Nc2nc(C#N)c(-c3nn[nH]n3)[n-]2)o1	ZINC000822194323	606591647	/nfs/dbraw/zinc/59/16/47/606591647.db2.gz	RUZAXFUDVXZWEC-UHFFFAOYSA-N	-1	0	298.266	0.924	20	30		CCEDRM
N#Cc1nc(NC(=O)C=C2CCCC2)[n-]c1-c1nn[nH]n1	ZINC000822814989	606827172	/nfs/dbraw/zinc/82/71/72/606827172.db2.gz	MOBZCAMYDCXACQ-UHFFFAOYSA-N	-1	0	284.283	0.900	20	30		CCEDRM
C#CC[C@H](NC(=O)[C@H](C)NC(=O)C1CCCC1)C(=O)[O-]	ZINC000910053021	613069189	/nfs/dbraw/zinc/06/91/89/613069189.db2.gz	MQIWFXRPWRZDSD-ONGXEEELSA-N	-1	0	280.324	0.274	20	30		CCEDRM
C#CC[C@H]([N-]S(=O)(=O)C[C@]1(C)CC1(F)F)C(=O)OC	ZINC000882251130	613071223	/nfs/dbraw/zinc/07/12/23/613071223.db2.gz	GGHKYHNMQCCZJN-WPRPVWTQSA-N	-1	0	295.307	0.516	20	30		CCEDRM
Cc1nn(CC2(C#N)CC2)c(=O)c(-c2nnn[n-]2)c1C	ZINC000826334134	609307720	/nfs/dbraw/zinc/30/77/20/609307720.db2.gz	JHEAKRLKPZDVET-UHFFFAOYSA-N	-1	0	271.284	0.344	20	30		CCEDRM
C#CCN(CC(=O)[O-])S(=O)(=O)CCc1cccs1	ZINC000849219043	613103465	/nfs/dbraw/zinc/10/34/65/613103465.db2.gz	MGPBJMKQTNQNFA-UHFFFAOYSA-N	-1	0	287.362	0.640	20	30		CCEDRM
C#C[C@H]1CC[C@H](NC(=O)[C@H]2CC[C@H](C(=O)[O-])O2)CC1	ZINC000873004500	613108707	/nfs/dbraw/zinc/10/87/07/613108707.db2.gz	KWNCQAMATCUGEP-DDHJBXDOSA-N	-1	0	265.309	0.927	20	30		CCEDRM
C=CCCS(=O)(=O)N1CCN(C(=O)[O-])[C@@H](C)C1	ZINC000823500968	613580537	/nfs/dbraw/zinc/58/05/37/613580537.db2.gz	ODZZDPXNYNKUMP-VIFPVBQESA-N	-1	0	262.331	0.576	20	30		CCEDRM
C=CCC[C@@H](NC(=O)[C@H](O)CCSC)C(=O)[O-]	ZINC000909717710	613585052	/nfs/dbraw/zinc/58/50/52/613585052.db2.gz	KKLYMDQKLBLRPP-RKDXNWHRSA-N	-1	0	261.343	0.636	20	30		CCEDRM
CC(C)CC(=O)[N-]S(=O)(=O)c1cc(C(N)=O)n(C)c1	ZINC000042345721	613969714	/nfs/dbraw/zinc/96/97/14/613969714.db2.gz	XOFLRYCMYCCEBH-UHFFFAOYSA-N	-1	0	287.341	0.815	20	30		CCEDRM
CC(C)[C@@](C)(C#N)NC(=O)[C@H](C)OC(=O)[C@H](C)NC(=O)[O-]	ZINC000833532860	614181566	/nfs/dbraw/zinc/18/15/66/614181566.db2.gz	KPVRFGWPVUHQTP-MWODSPESSA-N	-1	0	299.327	0.629	20	30		CCEDRM
CC(C)C[C@H](C)N(C)C(=O)CN(CC#N)CC(=O)[O-]	ZINC000826759607	614212899	/nfs/dbraw/zinc/21/28/99/614212899.db2.gz	JHMFVEDAGRMIFH-NSHDSACASA-N	-1	0	269.345	0.790	20	30		CCEDRM
CC(C)(C(=O)[N-]Oc1cccc(C#N)c1)S(C)(=O)=O	ZINC000870693227	614299662	/nfs/dbraw/zinc/29/96/62/614299662.db2.gz	ZEAACBFUYFLAJA-UHFFFAOYSA-N	-1	0	282.321	0.791	20	30		CCEDRM
COc1ccc(C(=O)[O-])c(NCC(=O)NCCC#N)c1	ZINC000832178308	617235283	/nfs/dbraw/zinc/23/52/83/617235283.db2.gz	FDTDFUKRJGUYTK-UHFFFAOYSA-N	-1	0	277.280	0.835	20	30		CCEDRM
COc1ccc(C=Nn2c(=O)[n-][nH]c2=O)cc1F	ZINC000814233617	617238527	/nfs/dbraw/zinc/23/85/27/617238527.db2.gz	YXGOXOPVAMTJBL-UHFFFAOYSA-N	-1	0	252.205	0.719	20	30		CCEDRM
COc1ccc(C(=O)[O-])cc1C=NN[C@H](C)CO	ZINC000901194379	617235464	/nfs/dbraw/zinc/23/54/64/617235464.db2.gz	KSCRTRVJQWNRIO-MRVPVSSYSA-N	-1	0	252.270	0.698	20	30		CCEDRM
COc1ccc(CNC(=O)[C@H](C)C#N)cc1-c1nn[nH]n1	ZINC000826195816	617256138	/nfs/dbraw/zinc/25/61/38/617256138.db2.gz	GORIEWIABCFJCC-MRVPVSSYSA-N	-1	0	286.295	0.651	20	30		CCEDRM
CS[C@H](C)CC(=O)[N-]S(=O)(=O)c1cncc(C#N)c1	ZINC000813984513	617275698	/nfs/dbraw/zinc/27/56/98/617275698.db2.gz	UDRNEWSRNUGBDL-MRVPVSSYSA-N	-1	0	299.377	0.900	20	30		CCEDRM
COc1cccc(CNC(=O)[C@@](C)(C#N)CC(=O)[O-])n1	ZINC000820865224	617299175	/nfs/dbraw/zinc/29/91/75/617299175.db2.gz	HZOXJVHVGJQXMF-CYBMUJFWSA-N	-1	0	277.280	0.711	20	30		CCEDRM
C#CCNC(=O)[C@@H](C)OC(=O)c1ccc(C(=O)[O-])cc1	ZINC000819700958	612949346	/nfs/dbraw/zinc/94/93/46/612949346.db2.gz	SUCNRVARWSKABJ-SECBINFHSA-N	-1	0	275.260	0.680	20	30		CCEDRM
C#CCC1(NC(=O)NCC(=O)[N-]OC)CCCCC1	ZINC000927219147	612969039	/nfs/dbraw/zinc/96/90/39/612969039.db2.gz	MSUMNYJJSANMCD-UHFFFAOYSA-N	-1	0	267.329	0.689	20	30		CCEDRM
C#CCCCC(=O)N1CC[C@@H](OC)C[C@H]1C(=O)[O-]	ZINC000909981674	612974681	/nfs/dbraw/zinc/97/46/81/612974681.db2.gz	VUVQATJFQJDXQN-MNOVXSKESA-N	-1	0	253.298	0.881	20	30		CCEDRM
C#CCCCCC(=O)Nc1nc(C#N)c(-c2nn[nH]n2)[n-]1	ZINC000823838882	612976007	/nfs/dbraw/zinc/97/60/07/612976007.db2.gz	WEZCIIMOCAWOAH-UHFFFAOYSA-N	-1	0	284.283	0.594	20	30		CCEDRM
C#CCCCCNC(=O)C(=O)Nc1cccnc1C(=O)[O-]	ZINC000850786707	612977071	/nfs/dbraw/zinc/97/70/71/612977071.db2.gz	UZKOWWMCTIGNRJ-UHFFFAOYSA-N	-1	0	289.291	0.638	20	30		CCEDRM
C#CCCCCNC(=O)N[C@@H](COCC=C)C(=O)[O-]	ZINC000797725451	612977835	/nfs/dbraw/zinc/97/78/35/612977835.db2.gz	XBJDLSRKJNDSAN-NSHDSACASA-N	-1	0	268.313	0.745	20	30		CCEDRM
C#CCOCCC(=O)Nc1cc(C(=O)[O-])n(C)c1	ZINC000833364395	612981147	/nfs/dbraw/zinc/98/11/47/612981147.db2.gz	QDYQPUDYJVCNMG-UHFFFAOYSA-N	-1	0	250.254	0.702	20	30		CCEDRM
C#CCOCCC(=O)Nc1nc(CC(=O)[O-])cs1	ZINC000833364946	612981189	/nfs/dbraw/zinc/98/11/89/612981189.db2.gz	ZYGXMRCURNJGBU-UHFFFAOYSA-N	-1	0	268.294	0.749	20	30		CCEDRM
C#CCCCNC(=O)N(CC(=O)[O-])C1CCOCC1	ZINC000909028685	612981246	/nfs/dbraw/zinc/98/12/46/612981246.db2.gz	VBHDIEWFFUFZAH-UHFFFAOYSA-N	-1	0	268.313	0.675	20	30		CCEDRM
C#CCCCNC(=O)N[C@@H]1CCCN(C(=O)[O-])C1	ZINC000823444456	612982004	/nfs/dbraw/zinc/98/20/04/612982004.db2.gz	IOWGDIVRJOYMAG-SNVBAGLBSA-N	-1	0	253.302	0.841	20	30		CCEDRM
C#CCCCNC(=O)N[C@@H](C(=O)[O-])[C@H]1CCCOC1	ZINC000909027474	612982120	/nfs/dbraw/zinc/98/21/20/612982120.db2.gz	KXTJPHPKDSTTTA-WDEREUQCSA-N	-1	0	268.313	0.579	20	30		CCEDRM
C#CCOCCNC(=O)N1CC[C@H](C)[C@@H](C(=O)[O-])C1	ZINC000831039470	612986456	/nfs/dbraw/zinc/98/64/56/612986456.db2.gz	YYPAJMARQRZJPS-QWRGUYRKSA-N	-1	0	268.313	0.388	20	30		CCEDRM
C#CCO[N-]C(=O)C1(NC(=O)OC(C)(C)C)CC1	ZINC000812782374	612991938	/nfs/dbraw/zinc/99/19/38/612991938.db2.gz	XCAUAIWGMMYING-UHFFFAOYSA-N	-1	0	254.286	0.725	20	30		CCEDRM
C#CCO[N-]C(=O)[C@H]1OCC[C@H]1NC(=O)OC(C)(C)C	ZINC000862183603	612993205	/nfs/dbraw/zinc/99/32/05/612993205.db2.gz	GFUMEYMXQQEWQV-ZJUUUORDSA-N	-1	0	284.312	0.350	20	30		CCEDRM
C#CCO[C@H](C)C(=O)N1CCC[C@@](C)(C(=O)[O-])C1	ZINC000909842628	612999431	/nfs/dbraw/zinc/99/94/31/612999431.db2.gz	NWNXYAFHLRLBNM-ZWNOBZJWSA-N	-1	0	253.298	0.738	20	30		CCEDRM
C#CCO[C@H](C)C(=O)NCc1ccc(C(=O)[O-])o1	ZINC000909263185	613001908	/nfs/dbraw/zinc/00/19/08/613001908.db2.gz	YSKJCSZMXUNJFR-MRVPVSSYSA-N	-1	0	251.238	0.632	20	30		CCEDRM
C#CCO[C@H](C)C(=O)[N-]S(=O)(=O)Cc1ccccc1C	ZINC000835392319	613002055	/nfs/dbraw/zinc/00/20/55/613002055.db2.gz	XRJQJPOYHSYUDZ-GFCCVEGCSA-N	-1	0	295.360	0.979	20	30		CCEDRM
C#CCSCCNC(=O)CC1CN(C(=O)[O-])C1	ZINC000823467148	613015619	/nfs/dbraw/zinc/01/56/19/613015619.db2.gz	QGOQYHSQOSKWOB-UHFFFAOYSA-N	-1	0	256.327	0.469	20	30		CCEDRM
C#CC[C@@H](CCOC)NS(=O)(=O)N=[S@@](C)(=O)CC	ZINC000867568226	613023139	/nfs/dbraw/zinc/02/31/39/613023139.db2.gz	GAZDETZSGLWNTD-BTDLBPIBSA-N	-1	0	296.414	0.367	20	30		CCEDRM
C#CC[C@@H](CO)NC(=O)c1cccc([O-])c1[N+](=O)[O-]	ZINC000854542955	613029360	/nfs/dbraw/zinc/02/93/60/613029360.db2.gz	SYDQXCDSTGSJBA-QMMMGPOBSA-N	-1	0	264.237	0.414	20	30		CCEDRM
C#CC[C@@H](NC(=O)CN1Cc2ccccc2C1=O)C(=O)[O-]	ZINC000910054723	613039678	/nfs/dbraw/zinc/03/96/78/613039678.db2.gz	SCOUKSJABCNIDW-GFCCVEGCSA-N	-1	0	286.287	0.235	20	30		CCEDRM
C#CC[C@@H](NC(=O)COCCOc1ccccc1)C(=O)[O-]	ZINC000910052779	613039792	/nfs/dbraw/zinc/03/97/92/613039792.db2.gz	IKCODOTXWMBVTR-CYBMUJFWSA-N	-1	0	291.303	0.675	20	30		CCEDRM
C#CC[C@@H](NC(=O)Cc1[nH]nc2c1CCCC2)C(=O)[O-]	ZINC000910049600	613040223	/nfs/dbraw/zinc/04/02/23/613040223.db2.gz	YKRHKQRZJNXBSE-LLVKDONJSA-N	-1	0	275.308	0.424	20	30		CCEDRM
C#CC[C@@H](NC(=O)c1cc(OC(F)F)n(C)n1)C(=O)[O-]	ZINC000910049977	613041856	/nfs/dbraw/zinc/04/18/56/613041856.db2.gz	BGARYSDYEFYAHE-ZCFIWIBFSA-N	-1	0	287.222	0.228	20	30		CCEDRM
C#CC[C@@H](NC(=O)c1csc(COC)n1)C(=O)[O-]	ZINC000910051124	613042505	/nfs/dbraw/zinc/04/25/05/613042505.db2.gz	DXGVYIRZMVYZNM-SSDOTTSWSA-N	-1	0	268.294	0.496	20	30		CCEDRM
C#CCCNC(=O)[C@@H]1[C@@H](C)OC(C)(C)N1C(=O)[O-]	ZINC000823445037	613047783	/nfs/dbraw/zinc/04/77/83/613047783.db2.gz	VDERCXWSXREUDK-BDAKNGLRSA-N	-1	0	254.286	0.629	20	30		CCEDRM
C#CCCS(=O)(=O)[N-]C(=O)c1ccc(C)c([N+](=O)[O-])c1	ZINC000791111242	613053555	/nfs/dbraw/zinc/05/35/55/613053555.db2.gz	RDWZEMPWZQVIFF-UHFFFAOYSA-N	-1	0	296.304	0.986	20	30		CCEDRM
C#CCCS(=O)(=O)[N-]C(=O)c1ccc(N(C)C)c(F)c1	ZINC000810784394	613053568	/nfs/dbraw/zinc/05/35/68/613053568.db2.gz	CZJVSXOGCRUTPK-UHFFFAOYSA-N	-1	0	298.339	0.975	20	30		CCEDRM
C#CCCS(=O)(=O)[N-]C(=O)c1ccc(C=NOC)cc1	ZINC000810782402	613053682	/nfs/dbraw/zinc/05/36/82/613053682.db2.gz	PAKXQPYABLGLJA-UHFFFAOYSA-N	-1	0	294.332	0.750	20	30		CCEDRM
C#CCCn1cc(-c2nnn[n-]2)c(=O)c2nc(C)ccc21	ZINC000823844570	613064783	/nfs/dbraw/zinc/06/47/83/613064783.db2.gz	BJNRTJRDTCUHFW-UHFFFAOYSA-N	-1	0	280.291	0.908	20	30		CCEDRM
C#CC[C@H](NC(=O)CC1(O)CCCCC1)C(=O)[O-]	ZINC000910050331	613067674	/nfs/dbraw/zinc/06/76/74/613067674.db2.gz	IAZRAPDXSYEWGO-JTQLQIEISA-N	-1	0	253.298	0.664	20	30		CCEDRM
C#CC[C@H](NC(=O)CCCC(=O)NCCC)C(=O)[O-]	ZINC000910053977	613067698	/nfs/dbraw/zinc/06/76/98/613067698.db2.gz	GIICSMSHKVDUHC-JTQLQIEISA-N	-1	0	268.313	0.276	20	30		CCEDRM
C#CC[C@H](NC(=O)[C@@H]1CCCc2n[nH]cc21)C(=O)[O-]	ZINC000910048534	613068862	/nfs/dbraw/zinc/06/88/62/613068862.db2.gz	MEKOSPRATSDUQC-KCJUWKMLSA-N	-1	0	261.281	0.422	20	30		CCEDRM
C#CC[C@H](NC(=O)[C@@H]1CCc2c[nH]nc2C1)C(=O)[O-]	ZINC000910050543	613068997	/nfs/dbraw/zinc/06/89/97/613068997.db2.gz	KPNOMEILJFWRMR-SCZZXKLOSA-N	-1	0	261.281	0.107	20	30		CCEDRM
C#CC[C@H](NC(=O)[C@H]1Cc2cc(F)ccc2O1)C(=O)[O-]	ZINC000910055138	613069779	/nfs/dbraw/zinc/06/97/79/613069779.db2.gz	YGGMGCVVLYSMTN-CMPLNLGQSA-N	-1	0	277.251	0.722	20	30		CCEDRM
C#CC[C@H](NC(=O)c1cncnc1C(C)C)C(=O)[O-]	ZINC000910054566	613070641	/nfs/dbraw/zinc/07/06/41/613070641.db2.gz	QEHSALKWRWSMFF-JTQLQIEISA-N	-1	0	261.281	0.806	20	30		CCEDRM
C#CCn1cc(CNC(=O)CCSCC(=O)[O-])cn1	ZINC000911717810	613076728	/nfs/dbraw/zinc/07/67/28/613076728.db2.gz	QMGZFTWWHBFTOP-UHFFFAOYSA-N	-1	0	281.337	0.340	20	30		CCEDRM
C#CCn1ccc(CN(CC)C(=O)C(C)(C)C(=O)[O-])n1	ZINC000911719010	613078303	/nfs/dbraw/zinc/07/83/03/613078303.db2.gz	ITQHHUIJYVWDBZ-UHFFFAOYSA-N	-1	0	277.324	0.976	20	30		CCEDRM
C#C[C@@H](C)NS(=O)(=O)N=[S@@](C)(=O)c1ccccc1	ZINC000867198215	613082247	/nfs/dbraw/zinc/08/22/47/613082247.db2.gz	HHFDKSKPEHEGKS-QGHHPUGFSA-N	-1	0	286.378	0.999	20	30		CCEDRM
C#C[C@@H](C)NS(=O)(=O)c1cc(OC)ccc1O	ZINC000867199218	613082449	/nfs/dbraw/zinc/08/24/49/613082449.db2.gz	XFXGDLRWNZSJOO-MRVPVSSYSA-N	-1	0	255.295	0.701	20	30		CCEDRM
C#C[C@@H](CC)NC(=O)N1CCC(c2n[nH]c(=O)[n-]2)CC1	ZINC000922524141	613083069	/nfs/dbraw/zinc/08/30/69/613083069.db2.gz	BCDWHDMKDPDGRX-JTQLQIEISA-N	-1	0	277.328	0.811	20	30		CCEDRM
C#C[C@@H](NC(=O)N1C[C@@H]2COC[C@]2(C(=O)[O-])C1)C(C)C	ZINC000851651813	613094838	/nfs/dbraw/zinc/09/48/38/613094838.db2.gz	OQAWOYDCPPKMSU-JTNHKYCSSA-N	-1	0	280.324	0.387	20	30		CCEDRM
C#C[C@@H](NC(=O)[C@@H](CC)C(=O)[O-])C1CCOCC1	ZINC000911790315	613097911	/nfs/dbraw/zinc/09/79/11/613097911.db2.gz	JINZWTLPCLFZRH-GHMZBOCLSA-N	-1	0	253.298	0.642	20	30		CCEDRM
C#CCN(CC#CC)C(=O)C[C@@H]1CSCCN1C(=O)[O-]	ZINC000823450821	613099589	/nfs/dbraw/zinc/09/95/89/613099589.db2.gz	JUYCCYNYCXVYLA-GFCCVEGCSA-N	-1	0	294.376	0.957	20	30		CCEDRM
C#CCN(CC(=O)OC(C)(C)C)C(=O)c1cc(=O)n(C)[n-]1	ZINC000855497969	613104702	/nfs/dbraw/zinc/10/47/02/613104702.db2.gz	MIJBGJNXGZBGKB-UHFFFAOYSA-N	-1	0	293.323	0.543	20	30		CCEDRM
C#C[C@H]1CC[C@H](NC(=O)CCCn2c(=O)[n-][nH]c2=O)CC1	ZINC000913815766	613107244	/nfs/dbraw/zinc/10/72/44/613107244.db2.gz	QSSYWHCGXXWDNR-XYPYZODXSA-N	-1	0	292.339	0.778	20	30		CCEDRM
C#C[C@H]1CC[C@H](NS(=O)(=O)c2ncc[n-]2)CC1	ZINC000872671426	613109031	/nfs/dbraw/zinc/10/90/31/613109031.db2.gz	VILMLDMFWWGSRR-MGCOHNPYSA-N	-1	0	253.327	0.880	20	30		CCEDRM
C#C[C@H](C)NC(=O)[C@@H]1CC(C(=O)[O-])=NN1c1ccccc1	ZINC000911393425	613118244	/nfs/dbraw/zinc/11/82/44/613118244.db2.gz	SYLFUZNMWGQNJN-GWCFXTLKSA-N	-1	0	285.303	0.844	20	30		CCEDRM
C#C[C@H](CC)NC(=O)c1ccc(-c2nn[nH]n2)cn1	ZINC000897554424	613122033	/nfs/dbraw/zinc/12/20/33/613122033.db2.gz	CVIUJOFLPAJCNR-SECBINFHSA-N	-1	0	256.269	0.403	20	30		CCEDRM
C#CCN1CC([C@H](C)NC(=O)c2[nH]nc(C)c2[O-])C1	ZINC000969505780	613127434	/nfs/dbraw/zinc/12/74/34/613127434.db2.gz	FWXIVIHDGRNKGP-QMMMGPOBSA-N	-1	0	262.313	0.107	20	30		CCEDRM
C#C[C@H](NC(=O)C(C)(C)C(=O)[O-])C1CCOCC1	ZINC000911792214	613132260	/nfs/dbraw/zinc/13/22/60/613132260.db2.gz	RCQPCDZKHDBUHS-JTQLQIEISA-N	-1	0	253.298	0.642	20	30		CCEDRM
C#C[C@H](NC(=O)N1CC[C@H](C)[C@H](C(=O)[O-])C1)[C@@H]1CCCO1	ZINC000831038143	613137431	/nfs/dbraw/zinc/13/74/31/613137431.db2.gz	FDEVHVVQJYLVBD-RNJOBUHISA-N	-1	0	294.351	0.919	20	30		CCEDRM
C#C[C@H](NC(=O)N1CC[C@H](C(=O)[O-])[C@@H](C)C1)[C@@H]1CCCO1	ZINC000861455703	613137458	/nfs/dbraw/zinc/13/74/58/613137458.db2.gz	SJWHJVKDGVYHKI-CYDGBPFRSA-N	-1	0	294.351	0.919	20	30		CCEDRM
C#Cc1ccc(C(=O)N2CCO[C@H](CC(=O)[O-])C2)nc1	ZINC000825636067	613171228	/nfs/dbraw/zinc/17/12/28/613171228.db2.gz	BAUPNMUHUHTXSB-LLVKDONJSA-N	-1	0	274.276	0.379	20	30		CCEDRM
C#Cc1cccc(NC(=O)C(=O)N[C@H](C(=O)[O-])C(C)C)c1	ZINC000817675263	613203105	/nfs/dbraw/zinc/20/31/05/613203105.db2.gz	HQQNTYXHHHVZPN-LBPRGKRZSA-N	-1	0	288.303	0.832	20	30		CCEDRM
C#Cc1cccc(NC(=O)[C@@H]2CN(C(=O)[O-])CCO2)c1	ZINC000823473880	613204563	/nfs/dbraw/zinc/20/45/63/613204563.db2.gz	IWXJUFJUOHVHJA-LBPRGKRZSA-N	-1	0	274.276	0.985	20	30		CCEDRM
C#Cc1cncc(C(=O)N[C@@H](CC(F)F)C(=O)[O-])c1	ZINC000909774125	613219066	/nfs/dbraw/zinc/21/90/66/613219066.db2.gz	MYVYCDCUFNBJHO-VIFPVBQESA-N	-1	0	268.219	0.901	20	30		CCEDRM
C#Cc1cncc(C(=O)N[C@H]2CCO[C@H]2C(=O)[O-])c1	ZINC000909944383	613222353	/nfs/dbraw/zinc/22/23/53/613222353.db2.gz	VVSLRIPRNNIONA-WDEREUQCSA-N	-1	0	260.249	0.035	20	30		CCEDRM
C#CCNC(=O)COc1cc(C(=O)[O-])cc(F)c1C	ZINC000833365354	613333291	/nfs/dbraw/zinc/33/32/91/613333291.db2.gz	HATJKRVOKWYVNI-UHFFFAOYSA-N	-1	0	265.240	0.961	20	30		CCEDRM
C=C(C)CO[N-]C(=O)C1(S(C)(=O)=O)CCCC1	ZINC000846540272	613352381	/nfs/dbraw/zinc/35/23/81/613352381.db2.gz	YKEWSVSWRMHBRW-UHFFFAOYSA-N	-1	0	261.343	0.968	20	30		CCEDRM
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C=C(C)CO[N-]C(=O)Cn1cccc(C(=O)OC)c1=O	ZINC000824028996	613352622	/nfs/dbraw/zinc/35/26/22/613352622.db2.gz	YZHPQBBFNBCVTD-UHFFFAOYSA-N	-1	0	280.280	0.259	20	30		CCEDRM
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C=C(C)CS(=O)(=O)N1CC[C@@](F)(C(=O)[O-])C1	ZINC000829905690	613354050	/nfs/dbraw/zinc/35/40/50/613354050.db2.gz	ZQYQHRADFLJDIR-VIFPVBQESA-N	-1	0	251.279	0.391	20	30		CCEDRM
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C=C(C)C[C@@H](NC(=O)/C=C/c1cn(C)cn1)C(=O)[O-]	ZINC000923105672	613355652	/nfs/dbraw/zinc/35/56/52/613355652.db2.gz	VMAKFTKSKNETNP-SGUJLRQBSA-N	-1	0	263.297	0.969	20	30		CCEDRM
C=C(C)C[C@@H](NC(=O)NCc1cn(C)cn1)C(=O)[O-]	ZINC000900309068	613355875	/nfs/dbraw/zinc/35/58/75/613355875.db2.gz	USSUMONIUWKDIC-SNVBAGLBSA-N	-1	0	266.301	0.639	20	30		CCEDRM
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C=CC(C)(C)NS(=O)(=O)N1CCC[C@H](C(=O)[O-])C1	ZINC000903557038	613449362	/nfs/dbraw/zinc/44/93/62/613449362.db2.gz	ONNSOPHEFBNUIV-VIFPVBQESA-N	-1	0	276.358	0.582	20	30		CCEDRM
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C=CC1(S(=O)(=O)[N-]C(=O)c2cccc(C#N)n2)CC1	ZINC000870837820	613451955	/nfs/dbraw/zinc/45/19/55/613451955.db2.gz	CVDKGDMQCCPJHR-UHFFFAOYSA-N	-1	0	277.305	0.731	20	30		CCEDRM
C=CC1(S(=O)(=O)[N-]C(=O)c2cn(CC3CC3)nn2)CC1	ZINC000870837902	613452244	/nfs/dbraw/zinc/45/22/44/613452244.db2.gz	ZAWDHONAEREILQ-UHFFFAOYSA-N	-1	0	296.352	0.466	20	30		CCEDRM
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C=CCCC(=O)Cn1nc(C(=O)[O-])cc1C(=O)OC	ZINC000833373321	613461991	/nfs/dbraw/zinc/46/19/91/613461991.db2.gz	LBWSRAMMTWQZLF-UHFFFAOYSA-N	-1	0	266.253	0.903	20	30		CCEDRM
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CC#CCS(=O)(=O)[N-]C(=O)c1cc(OC)cs1	ZINC000810773207	613647506	/nfs/dbraw/zinc/64/75/06/613647506.db2.gz	VAIDSTKLDVLYNT-UHFFFAOYSA-N	-1	0	273.335	0.840	20	30		CCEDRM
CC#CCS(=O)(=O)[N-]C(=O)c1cc(C(C)C)n(C)n1	ZINC000791111388	613647530	/nfs/dbraw/zinc/64/75/30/613647530.db2.gz	RUURABDGXNMYHJ-UHFFFAOYSA-N	-1	0	283.353	0.626	20	30		CCEDRM
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CC(=NNCC(=O)[O-])c1cccc(-n2cnnc2)c1	ZINC000814960467	613654349	/nfs/dbraw/zinc/65/43/49/613654349.db2.gz	MLNJJUZDSHWVDF-UHFFFAOYSA-N	-1	0	259.269	0.666	20	30		CCEDRM
CC(=NNS(C)(=O)=O)[C@@H]1CCCCN1C(=O)[O-]	ZINC000823532980	613656280	/nfs/dbraw/zinc/65/62/80/613656280.db2.gz	NMYVAJWYLRBGFN-QMMMGPOBSA-N	-1	0	263.319	0.444	20	30		CCEDRM
CC(=NOCC(N)=O)c1ccc(OCC(=O)[O-])cc1	ZINC000833386992	613657627	/nfs/dbraw/zinc/65/76/27/613657627.db2.gz	IRJODEUMACFZMC-UHFFFAOYSA-N	-1	0	266.253	0.376	20	30		CCEDRM
C=CCNC(=O)COC(=O)c1c(C)[nH]c(C(=O)[O-])c1C	ZINC000825687246	613848252	/nfs/dbraw/zinc/84/82/52/613848252.db2.gz	GTAWGLXFUULMJD-UHFFFAOYSA-N	-1	0	280.280	0.789	20	30		CCEDRM
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C=CCNC(=O)[C@H](C)OC(=O)C[C@H]1CCCN1C(=O)[O-]	ZINC000823506319	613855468	/nfs/dbraw/zinc/85/54/68/613855468.db2.gz	GIKXKNYMSLUDGT-VHSXEESVSA-N	-1	0	284.312	0.753	20	30		CCEDRM
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C=CCOCC(=O)N1CCC[C@](COC)(C(=O)[O-])C1	ZINC000909709657	613879096	/nfs/dbraw/zinc/87/90/96/613879096.db2.gz	NBABBISGCSGFJL-ZDUSSCGKSA-N	-1	0	271.313	0.529	20	30		CCEDRM
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C=CCOCC(=O)N[C@@H](C(=O)[O-])c1ccccn1	ZINC000825691816	613879357	/nfs/dbraw/zinc/87/93/57/613879357.db2.gz	AAJXJSLZFNAXSH-LLVKDONJSA-N	-1	0	250.254	0.526	20	30		CCEDRM
C=CCOCC(=O)N[C@H](C(=O)[O-])[C@H]1CCC[C@H](OC)C1	ZINC000909907784	613879539	/nfs/dbraw/zinc/87/95/39/613879539.db2.gz	PLUTZGDJOQNMQY-GVXVVHGQSA-N	-1	0	285.340	0.964	20	30		CCEDRM
C=CCOCCCC(=O)N1CC[N@H+](CCC(=O)[O-])[C@H](C)C1	ZINC000833375949	613879627	/nfs/dbraw/zinc/87/96/27/613879627.db2.gz	OWIXGGHVXBRUHQ-CYBMUJFWSA-N	-1	0	298.383	0.977	20	30		CCEDRM
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C=CCOC[C@@H](NC(=O)C1(C#N)CC(C)C1)C(=O)[O-]	ZINC000923078398	613881524	/nfs/dbraw/zinc/88/15/24/613881524.db2.gz	GYVAQMPYMCLJFV-RUETXSTFSA-N	-1	0	266.297	0.698	20	30		CCEDRM
C=CCOC[C@@H](NC(=O)C[C@H](C)n1ccc(C)n1)C(=O)[O-]	ZINC000909771496	613881659	/nfs/dbraw/zinc/88/16/59/613881659.db2.gz	NQANQQAIUBADMN-NWDGAFQWSA-N	-1	0	295.339	0.915	20	30		CCEDRM
C=CCOC[C@@H](NC(=O)c1cncc(OC)c1C)C(=O)[O-]	ZINC000909770986	613881897	/nfs/dbraw/zinc/88/18/97/613881897.db2.gz	KMFOBLMJYWRHBG-LLVKDONJSA-N	-1	0	294.307	0.784	20	30		CCEDRM
C=CCOC[C@H](NC(=O)CCC(C)(C)O)C(=O)[O-]	ZINC000909769707	613882236	/nfs/dbraw/zinc/88/22/36/613882236.db2.gz	BEDWRJCXPUFVQN-VIFPVBQESA-N	-1	0	259.302	0.310	20	30		CCEDRM
C=CCOC[C@H](NC(=O)Cc1ccncc1)C(=O)[O-]	ZINC000909772055	613882292	/nfs/dbraw/zinc/88/22/92/613882292.db2.gz	ULVGYCVMUSCTBZ-NSHDSACASA-N	-1	0	264.281	0.396	20	30		CCEDRM
C=CCOC[C@H](NC(=O)C[C@@H]1CCCC[C@H]1O)C(=O)[O-]	ZINC000909770051	613882327	/nfs/dbraw/zinc/88/23/27/613882327.db2.gz	DRHFTWKKIBEQNR-SDDRHHMPSA-N	-1	0	285.340	0.700	20	30		CCEDRM
C=CCOC[C@H](NC(=O)[C@@]1(OC)CCSC1)C(=O)[O-]	ZINC000909765817	613882596	/nfs/dbraw/zinc/88/25/96/613882596.db2.gz	FPPAHFFGUFFPBQ-JOYOIKCWSA-N	-1	0	289.353	0.281	20	30		CCEDRM
C=CCOC[C@H](NC(=O)[C@H]1CCO[C@H](CC)C1)C(=O)[O-]	ZINC000909767833	613882701	/nfs/dbraw/zinc/88/27/01/613882701.db2.gz	QVYSXKFWLGVCNT-TUAOUCFPSA-N	-1	0	285.340	0.964	20	30		CCEDRM
C=CCOC[C@H](NC(=O)c1ccnc(C)c1)C(=O)[O-]	ZINC000909769917	613882720	/nfs/dbraw/zinc/88/27/20/613882720.db2.gz	CIIUEMVZSBXBSC-NSHDSACASA-N	-1	0	264.281	0.776	20	30		CCEDRM
C=CCO[N-]C(=O)C1=NN(CC(C)C)C(=O)CC1	ZINC000837048199	613883186	/nfs/dbraw/zinc/88/31/86/613883186.db2.gz	MUMSTCSOGQPZNY-UHFFFAOYSA-N	-1	0	253.302	0.855	20	30		CCEDRM
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CC(=O)NC[C@H]1CCCN(C(=O)[C@](C)(C#N)CC(=O)[O-])C1	ZINC000819737475	613890016	/nfs/dbraw/zinc/89/00/16/613890016.db2.gz	SKMHJQBFHWURCZ-RISCZKNCSA-N	-1	0	295.339	0.366	20	30		CCEDRM
CC(=O)N[C@@H](C(=O)Nc1nc(C#N)c(C#N)[n-]1)C(C)C	ZINC000914535594	613949532	/nfs/dbraw/zinc/94/95/32/613949532.db2.gz	UXGLEUMZJWYQBV-SNVBAGLBSA-N	-1	0	274.284	0.252	20	30		CCEDRM
CC(C)(C)OC(=O)C[C@](C)(C#N)C(=O)OCC(=O)[O-]	ZINC000819914938	613970331	/nfs/dbraw/zinc/97/03/31/613970331.db2.gz	NIJJDLLFPJMHET-GFCCVEGCSA-N	-1	0	271.269	0.876	20	30		CCEDRM
CC(C)OC[C@H](C(=O)[O-])N(C)C(=O)c1cc(C#N)c[nH]1	ZINC000827006741	614032674	/nfs/dbraw/zinc/03/26/74/614032674.db2.gz	OAPWXYUXAHOQKM-LLVKDONJSA-N	-1	0	279.296	0.837	20	30		CCEDRM
CC(C)(CNC(=O)C(=O)Nc1cccc(C#N)c1)C(=O)[O-]	ZINC000826550743	614092345	/nfs/dbraw/zinc/09/23/45/614092345.db2.gz	KMQJWFCDUVAYLO-UHFFFAOYSA-N	-1	0	289.291	0.724	20	30		CCEDRM
CC(C)Cn1[n-]c(CC(=O)N[C@@H](C#N)C2CC2)cc1=O	ZINC000932378055	614236545	/nfs/dbraw/zinc/23/65/45/614236545.db2.gz	KSASRRRFCACFDC-LBPRGKRZSA-N	-1	0	276.340	0.793	20	30		CCEDRM
CC(C)[C@](C)(C#N)NC(=O)C[N@@H+]1CC[C@H](C(=O)[O-])C1	ZINC000817853161	614285865	/nfs/dbraw/zinc/28/58/65/614285865.db2.gz	AIOJPSKVPYESAD-GWCFXTLKSA-N	-1	0	267.329	0.447	20	30		CCEDRM
CC(C)(C#N)CS(=O)(=O)[N-]C(=O)/C=C/[C@H]1CCCO1	ZINC000820509353	614286811	/nfs/dbraw/zinc/28/68/11/614286811.db2.gz	KAVGOBKEGABJCT-BRAIEQGRSA-N	-1	0	286.353	0.717	20	30		CCEDRM
CC(C)c1cc(C(=O)N2CCN(C(=O)[O-])C[C@H]2C#N)[nH]n1	ZINC000824453783	614298452	/nfs/dbraw/zinc/29/84/52/614298452.db2.gz	WETZGPPPHBUFRR-SECBINFHSA-N	-1	0	291.311	0.861	20	30		CCEDRM
CC(C)c1cc(C(=O)[N-]S(=O)(=O)CCC#N)nn1C	ZINC000821584017	614302561	/nfs/dbraw/zinc/30/25/61/614302561.db2.gz	ONNIPBGXLSZBFU-UHFFFAOYSA-N	-1	0	284.341	0.517	20	30		CCEDRM
CC(C)N1CCN(C(=O)[C@](C)(C#N)CC(=O)[O-])CC1	ZINC000820024935	614357979	/nfs/dbraw/zinc/35/79/79/614357979.db2.gz	KXTGXQCNMYRLBV-ZDUSSCGKSA-N	-1	0	267.329	0.544	20	30		CCEDRM
CC1(C#N)CCN(C(=O)Cn2cc(C(=O)[O-])nn2)CC1	ZINC000833551942	614422259	/nfs/dbraw/zinc/42/22/59/614422259.db2.gz	WBNFSQNBQKNRBC-UHFFFAOYSA-N	-1	0	277.284	0.129	20	30		CCEDRM
CCC[C@H](OCC)C(=O)[N-]S(=O)(=O)CC1(C#N)CC1	ZINC000860650292	614435144	/nfs/dbraw/zinc/43/51/44/614435144.db2.gz	WKHCPWYMBPXVOZ-JTQLQIEISA-N	-1	0	288.369	0.941	20	30		CCEDRM
CCCCO[C@@H](C)C(=O)N1CCN(C(=O)[O-])C[C@@H]1C#N	ZINC000826842853	614453549	/nfs/dbraw/zinc/45/35/49/614453549.db2.gz	YCANLGBTXAXWDZ-QWRGUYRKSA-N	-1	0	283.328	0.906	20	30		CCEDRM
CC1(C)C[C@H](S(=O)(=O)[N-]C(=O)CSCC#N)CO1	ZINC000861142502	614782357	/nfs/dbraw/zinc/78/23/57/614782357.db2.gz	ANIYDIYYSWMDON-QMMMGPOBSA-N	-1	0	292.382	0.257	20	30		CCEDRM
CC1=C(C(=O)[O-])C[C@H](CN2CCOC[C@H]2C#N)O1	ZINC000833581203	614960369	/nfs/dbraw/zinc/96/03/69/614960369.db2.gz	VFRNXIUQPZPXMJ-NXEZZACHSA-N	-1	0	252.270	0.358	20	30		CCEDRM
CCC[C@@H](OC)C(=O)[N-]S(=O)(=O)CC(C)(C)C#N	ZINC000835275889	615007258	/nfs/dbraw/zinc/00/72/58/615007258.db2.gz	LSMMODSPCNXWSQ-SECBINFHSA-N	-1	0	276.358	0.797	20	30		CCEDRM
CCN(CCC#N)C(=O)[C@@]1(F)CCN(C(=O)[O-])C1	ZINC000827110398	615023359	/nfs/dbraw/zinc/02/33/59/615023359.db2.gz	BCCIPBCLHXZXSA-LLVKDONJSA-N	-1	0	257.265	0.841	20	30		CCEDRM
CCN(CCCNC(=O)NC[C@H](C)C#N)C(=O)[O-]	ZINC000833858177	615042964	/nfs/dbraw/zinc/04/29/64/615042964.db2.gz	FIAZFJLLIFQCDU-SECBINFHSA-N	-1	0	256.306	0.835	20	30		CCEDRM
CCC[C@H](NC(=O)[O-])C(=O)N1CCN(CC#N)CC1	ZINC000826750818	615044528	/nfs/dbraw/zinc/04/45/28/615044528.db2.gz	KTKWRZHIBUOAEQ-JTQLQIEISA-N	-1	0	268.317	0.090	20	30		CCEDRM
CCN(CCNC(=O)Nc1ccn(CCC#N)n1)C(=O)[O-]	ZINC000827146928	615050321	/nfs/dbraw/zinc/05/03/21/615050321.db2.gz	WDGFTDZBDOZHED-UHFFFAOYSA-N	-1	0	294.315	0.918	20	30		CCEDRM
CCN(CCO)N=Cc1ccc([N+](=O)[O-])c([O-])c1	ZINC000842535436	615055134	/nfs/dbraw/zinc/05/51/34/615055134.db2.gz	OFPLRTCITAUPTE-UHFFFAOYSA-N	-1	0	253.258	0.949	20	30		CCEDRM
CCN(C[C@@H](C)C#N)C(=O)CN1CC[C@@](F)(C(=O)[O-])C1	ZINC000829642708	615061399	/nfs/dbraw/zinc/06/13/99/615061399.db2.gz	ONFDTCVESANYCR-GWCFXTLKSA-N	-1	0	285.319	0.493	20	30		CCEDRM
CCN(C[C@@H](C)C#N)C(=O)CN1CC[C@H](N(C)C(=O)[O-])C1	ZINC000827020552	615061558	/nfs/dbraw/zinc/06/15/58/615061558.db2.gz	WQHXFUSPQLRFNJ-RYUDHWBXSA-N	-1	0	296.371	0.679	20	30		CCEDRM
CCN(C[C@H](C)C#N)C(=O)CN1CCO[C@@H](CC(=O)[O-])C1	ZINC000829642648	615064293	/nfs/dbraw/zinc/06/42/93/615064293.db2.gz	NSNRGOJDCCZITP-NEPJUHHUSA-N	-1	0	297.355	0.170	20	30		CCEDRM
CCNc1ccc(C#N)cc1NC(=O)c1cc(=O)[nH][n-]1	ZINC000797170714	615139530	/nfs/dbraw/zinc/13/95/30/615139530.db2.gz	JOGSCBRHFGWPPQ-UHFFFAOYSA-N	-1	0	271.280	0.804	20	30		CCEDRM
CCOC(=O)CCCn1cnc(C#N)c1-c1nn[nH]n1	ZINC000825511883	615175461	/nfs/dbraw/zinc/17/54/61/615175461.db2.gz	JOSNVEXUPCSRRK-UHFFFAOYSA-N	-1	0	275.272	0.278	20	30		CCEDRM
CCOC(=O)c1ccc(C=NNCCC(=O)[O-])o1	ZINC000820369203	615181360	/nfs/dbraw/zinc/18/13/60/615181360.db2.gz	VEJZZEXKOBJOKP-UHFFFAOYSA-N	-1	0	254.242	0.855	20	30		CCEDRM
CC[C@@H](C#N)NC(=O)Cc1cc(=O)n(CC(C)C)[n-]1	ZINC000931330293	615366356	/nfs/dbraw/zinc/36/63/56/615366356.db2.gz	FCLAVQAROAWAQJ-JTQLQIEISA-N	-1	0	264.329	0.793	20	30		CCEDRM
CC[C@@H](C#N)[N-]S(=O)(=O)N=[S@@](C)(=O)CC	ZINC000906060648	615366570	/nfs/dbraw/zinc/36/65/70/615366570.db2.gz	KHTNRHWSBFLFBF-WJWGPLDTSA-N	-1	0	253.349	0.241	20	30		CCEDRM
CCO[N-]C(=O)CNC(=O)Nc1snc(C)c1C#N	ZINC000844659743	615368087	/nfs/dbraw/zinc/36/80/87/615368087.db2.gz	VSHJHAZQHQCICX-UHFFFAOYSA-N	-1	0	283.313	0.512	20	30		CCEDRM
CC[C@@H](C)NC(=O)COC(=O)[C@](C)(C#N)CC(=O)[O-]	ZINC000820266294	615459935	/nfs/dbraw/zinc/45/99/35/615459935.db2.gz	FBAHOPAYASGKNL-PELKAZGASA-N	-1	0	270.285	0.449	20	30		CCEDRM
CC[C@@H](CNS(=O)(=O)c1ccc(C#N)o1)C(=O)[O-]	ZINC000806634613	615484663	/nfs/dbraw/zinc/48/46/63/615484663.db2.gz	JESAUVDGMVOVHZ-ZETCQYMHSA-N	-1	0	272.282	0.540	20	30		CCEDRM
CCOc1ccc(/C=N\CC(=O)[N-]OC)c(O)c1	ZINC000899226948	615508709	/nfs/dbraw/zinc/50/87/09/615508709.db2.gz	BUJMXBPEAAKOPG-QPEQYQDCSA-N	-1	0	252.270	0.887	20	30		CCEDRM
CC[C@H](C#N)C(=O)N1CCSC[C@@H]1c1nnn[n-]1	ZINC000907479939	615599668	/nfs/dbraw/zinc/59/96/68/615599668.db2.gz	JVYDTWIHJKTCJI-HTQZYQBOSA-N	-1	0	266.330	0.366	20	30		CCEDRM
CC[C@H](C)NC(=O)[C@@H](C)NC(=O)[C@@](C)(C#N)CC(=O)[O-]	ZINC000820266602	615677091	/nfs/dbraw/zinc/67/70/91/615677091.db2.gz	NFGXIQJJOZOKMU-IGJMFERPSA-N	-1	0	283.328	0.410	20	30		CCEDRM
CCn1ncc(Cl)c1C(=O)[N-]S(=O)(=O)CCC#N	ZINC000857027309	615712945	/nfs/dbraw/zinc/71/29/45/615712945.db2.gz	PMVWBZRLRCLCSS-UHFFFAOYSA-N	-1	0	290.732	0.530	20	30		CCEDRM
CN(C(=O)C1(C#N)CCC1)[C@H]1CCN(C(=O)[O-])C1	ZINC000827730230	615781016	/nfs/dbraw/zinc/78/10/16/615781016.db2.gz	CXOUWQBQEPDXBQ-VIFPVBQESA-N	-1	0	251.286	0.891	20	30		CCEDRM
CN(C(=O)Cn1cnc(C#N)n1)[C@H](C(=O)[O-])c1ccccc1	ZINC000830500370	615830768	/nfs/dbraw/zinc/83/07/68/615830768.db2.gz	PKYDVJLTXHGZHL-ZDUSSCGKSA-N	-1	0	299.290	0.434	20	30		CCEDRM
CN(C(=O)[C@]1(C#N)CC2CCC1CC2)c1nnn[n-]1	ZINC000912616956	615890131	/nfs/dbraw/zinc/89/01/31/615890131.db2.gz	AFXWSYZFKXQPED-KWPJZBAWSA-N	-1	0	260.301	0.883	20	30		CCEDRM
CCn1cc(C=CC([O-])=C2C(=O)C=C(C)OC2=O)nn1	ZINC000899336154	615930009	/nfs/dbraw/zinc/93/00/09/615930009.db2.gz	PHVNRFUISJGKDC-ITKZLYELSA-N	-1	0	275.264	0.526	20	30		CCEDRM
CC[C@](C)(NC(=O)[C@H](O)c1ccc(C#N)cc1)C(=O)[O-]	ZINC000833636959	615951811	/nfs/dbraw/zinc/95/18/11/615951811.db2.gz	FWXBMPSGVJSUEN-RISCZKNCSA-N	-1	0	276.292	0.961	20	30		CCEDRM
CCn1cc(C([O-])=C(C#N)C(=O)NCCOC)c(C)n1	ZINC000860470336	615962535	/nfs/dbraw/zinc/96/25/35/615962535.db2.gz	YXZSVDWMVCJZCG-SNVBAGLBSA-N	-1	0	278.312	0.297	20	30		CCEDRM
CN(C)c1ccc(C(=O)[O-])cc1C=NNC1=NCCN1	ZINC000901253007	616013267	/nfs/dbraw/zinc/01/32/67/616013267.db2.gz	UQFVRAXWLHKCSX-UHFFFAOYSA-N	-1	0	275.312	0.334	20	30		CCEDRM
CC[S@](C)(=O)=NS(=O)(=O)[N-]CC(C)(C)C#N	ZINC000867081101	616020246	/nfs/dbraw/zinc/02/02/46/616020246.db2.gz	URUAELVYXWQPIP-HNNXBMFYSA-N	-1	0	267.376	0.488	20	30		CCEDRM
CN(C)c1cccc(C(=O)[N-]S(=O)(=O)CCC#N)c1	ZINC000821582848	616020506	/nfs/dbraw/zinc/02/05/06/616020506.db2.gz	ZLVCHMQZAPGQHK-UHFFFAOYSA-N	-1	0	281.337	0.726	20	30		CCEDRM
CN(CC(=O)NCC(=O)[O-])Cc1ccc(C#N)cc1	ZINC000820562900	616046729	/nfs/dbraw/zinc/04/67/29/616046729.db2.gz	YUBBNIQKYPZPQQ-UHFFFAOYSA-N	-1	0	261.281	0.191	20	30		CCEDRM
CN(CC(=O)[O-])C(=O)[C@@](C)(C#N)CC(=O)OC(C)(C)C	ZINC000820562632	616049805	/nfs/dbraw/zinc/04/98/05/616049805.db2.gz	NYBOHNJAUGFJMQ-CYBMUJFWSA-N	-1	0	284.312	0.791	20	30		CCEDRM
CN(CCC(=O)[O-])C(=O)[C@H](O)c1ccc(C#N)cc1	ZINC000820580101	616068904	/nfs/dbraw/zinc/06/89/04/616068904.db2.gz	TVFYQDZCLIHSOP-GFCCVEGCSA-N	-1	0	262.265	0.525	20	30		CCEDRM
CN(CCN(C)S(=O)(=O)c1ccc(C#N)nc1)C(=O)[O-]	ZINC000833873225	616084059	/nfs/dbraw/zinc/08/40/59/616084059.db2.gz	DSQMYGWVOGXVQL-UHFFFAOYSA-N	-1	0	298.324	0.184	20	30		CCEDRM
CN(CCS(C)(=O)=O)[C@H](C(=O)[O-])c1cccc(C#N)c1	ZINC000830794914	616120022	/nfs/dbraw/zinc/12/00/22/616120022.db2.gz	AXQIJSKSHSACPI-LBPRGKRZSA-N	-1	0	296.348	0.660	20	30		CCEDRM
CN1C(=O)CN(N=C2CCC(C(=O)[O-])CC2)C1=O	ZINC000820614601	616136297	/nfs/dbraw/zinc/13/62/97/616136297.db2.gz	IGZZSZWWEFKZCT-UHFFFAOYSA-N	-1	0	253.258	0.511	20	30		CCEDRM
CN(C[C@@H]1CCCOC1)C(=O)[C@](C)(C#N)CC(=O)[O-]	ZINC000820574198	616138183	/nfs/dbraw/zinc/13/81/83/616138183.db2.gz	GVRSMZBGGLEEQQ-GWCFXTLKSA-N	-1	0	268.313	0.876	20	30		CCEDRM
COCCNC(=O)C(C#N)=C([O-])c1ccn(C(C)(C)C)n1	ZINC000847623682	616491713	/nfs/dbraw/zinc/49/17/13/616491713.db2.gz	NKCULOWJTZCGJH-JTQLQIEISA-N	-1	0	292.339	0.723	20	30		CCEDRM
COCCOC[C@H]1CCN(C(=O)[C@](C)(C#N)CC(=O)[O-])C1	ZINC000820733086	616568866	/nfs/dbraw/zinc/56/88/66/616568866.db2.gz	LUDKOHACWVMJMF-FZMZJTMJSA-N	-1	0	298.339	0.502	20	30		CCEDRM
CO[C@@H]1CCC[C@H](C(=O)[N-]S(=O)(=O)CCCC#N)C1	ZINC000816005574	616632559	/nfs/dbraw/zinc/63/25/59/616632559.db2.gz	RPUXIRHBSSXPJX-WDEREUQCSA-N	-1	0	288.369	0.941	20	30		CCEDRM
CO[C@@H]1CC[C@@H](C(=O)[N-]S(=O)(=O)CC(C)(C)C#N)C1	ZINC000850930144	616678834	/nfs/dbraw/zinc/67/88/34/616678834.db2.gz	QMBSCHDZPLQTBT-NXEZZACHSA-N	-1	0	288.369	0.797	20	30		CCEDRM
COC[C@H](NC(=O)C1(C#N)CC2(CC2)C1)C(=O)[O-]	ZINC000923077169	616690150	/nfs/dbraw/zinc/69/01/50/616690150.db2.gz	KPXNMDMMPVMTIO-QMMMGPOBSA-N	-1	0	252.270	0.286	20	30		CCEDRM
COCC(COC)NN=Cc1cc(C(=O)[O-])cn1C	ZINC000901269815	616736570	/nfs/dbraw/zinc/73/65/70/616736570.db2.gz	OLHTXHDUZDZBDE-UHFFFAOYSA-N	-1	0	269.301	0.308	20	30		CCEDRM
COCC(COC)NN=Cc1cc(C(=O)[O-])co1	ZINC000901268806	616736887	/nfs/dbraw/zinc/73/68/87/616736887.db2.gz	CFMSSWYRZJYQHC-UHFFFAOYSA-N	-1	0	256.258	0.563	20	30		CCEDRM
CNC(=O)C(C#N)=C([O-])c1cc([N+](=O)[O-])ccc1C	ZINC000119654409	616777228	/nfs/dbraw/zinc/77/72/28/616777228.db2.gz	KQKLKNRDDWVPKF-JTQLQIEISA-N	-1	0	261.237	0.972	20	30		CCEDRM
CNC(=O)C(C#N)=C([O-])c1cccc(OC(C)C)n1	ZINC000119293552	616778027	/nfs/dbraw/zinc/77/80/27/616778027.db2.gz	SMDBQFDHERUOTF-VIFPVBQESA-N	-1	0	261.281	0.937	20	30		CCEDRM
COCC1(S(=O)(=O)[N-]C(=O)CCCCC#N)CC1	ZINC000847712816	616799368	/nfs/dbraw/zinc/79/93/68/616799368.db2.gz	KNGJGJPEVIZRJZ-UHFFFAOYSA-N	-1	0	274.342	0.695	20	30		CCEDRM
COC[C@](C)(C#N)NC(=O)c1cccc(OCC(=O)[O-])c1	ZINC000831541532	616817386	/nfs/dbraw/zinc/81/73/86/616817386.db2.gz	ZUOHBMFGBWXHGI-AWEZNQCLSA-N	-1	0	292.291	0.808	20	30		CCEDRM
COC[C@](C)(NC(=O)c1ccccc1OCC#N)C(=O)[O-]	ZINC000831623451	616831639	/nfs/dbraw/zinc/83/16/39/616831639.db2.gz	FEQNVZKIAJKWBE-AWEZNQCLSA-N	-1	0	292.291	0.808	20	30		CCEDRM
CNC(=O)C(C#N)=C([O-])c1ccc(NC(N)=O)cc1	ZINC000917003052	616839321	/nfs/dbraw/zinc/83/93/21/616839321.db2.gz	YCZCDICEHRCVAE-SECBINFHSA-N	-1	0	260.253	0.246	20	30		CCEDRM
CNC(=O)C(C#N)=C([O-])c1cc([N+](=O)[O-])cn1C	ZINC000917005493	616839691	/nfs/dbraw/zinc/83/96/91/616839691.db2.gz	WOSRHWKJGXKUBQ-SSDOTTSWSA-N	-1	0	250.214	0.002	20	30		CCEDRM
COC(=O)c1ccc(C=NNc2nnc(C)c(=O)[n-]2)n1C	ZINC000814735217	616891071	/nfs/dbraw/zinc/89/10/71/616891071.db2.gz	VQNVFQKYTMXDNT-UHFFFAOYSA-N	-1	0	290.283	0.457	20	30		CCEDRM
COCCCNC(=O)C(C#N)=C([O-])c1c(Cl)cnn1C	ZINC000850752037	616902094	/nfs/dbraw/zinc/90/20/94/616902094.db2.gz	KEQIDACYNAGVHV-MRVPVSSYSA-N	-1	0	298.730	0.549	20	30		CCEDRM
CNC(=S)NN=C(C)[C@H]1CCCCN1C(=O)[O-]	ZINC000828573581	616931278	/nfs/dbraw/zinc/93/12/78/616931278.db2.gz	UECGIIBXPZQTIZ-MRVPVSSYSA-N	-1	0	258.347	0.989	20	30		CCEDRM
COCCN(CCC(=O)[O-])c1nccnc1C#N	ZINC000900979126	616998380	/nfs/dbraw/zinc/99/83/80/616998380.db2.gz	BLFVSVASLIMDQC-UHFFFAOYSA-N	-1	0	250.258	0.276	20	30		CCEDRM
COC[C@@](C)(C#N)NC(=O)[C@H](C)CN(C)C(=O)[O-]	ZINC000828885339	617010926	/nfs/dbraw/zinc/01/09/26/617010926.db2.gz	CBCORQSZJOBHRE-LDYMZIIASA-N	-1	0	257.290	0.277	20	30		CCEDRM
COc1cc(C#N)ccc1OS(=O)(=O)C[C@@H](C)C(=O)[O-]	ZINC000831861182	617152922	/nfs/dbraw/zinc/15/29/22/617152922.db2.gz	PIJRXVGHPFPRTQ-MRVPVSSYSA-N	-1	0	299.304	0.996	20	30		CCEDRM
CO[C@@H](CS(=O)(=O)[N-]c1c(C#N)c(C)nn1C)C1CC1	ZINC000903173588	617170682	/nfs/dbraw/zinc/17/06/82/617170682.db2.gz	QSFAVRRUBGZJCT-NSHDSACASA-N	-1	0	298.368	0.767	20	30		CCEDRM
C[C@@H]1CCN(C[C@H](O)CC#N)C[C@@H]1NC(=O)C(F)(F)F	ZINC000931077141	625473232	/nfs/dbraw/zinc/47/32/32/625473232.db2.gz	PLYRRXQAUOIPSU-BBBLOLIVSA-N	-1	0	293.289	0.650	20	30		CCEDRM
C=C[C@](C)(CCOC)C(=O)[N-]S(=O)(=O)CCCC#N	ZINC000187625812	622842400	/nfs/dbraw/zinc/84/24/00/622842400.db2.gz	TUHFBWFOESEVBE-GFCCVEGCSA-N	-1	0	288.369	0.965	20	30		CCEDRM
C#CCSCCNC(=O)N[C@H](CCC)C(=O)[O-]	ZINC000227420401	622966700	/nfs/dbraw/zinc/96/67/00/622966700.db2.gz	ITNSINKTMQDABJ-SECBINFHSA-N	-1	0	258.343	0.905	20	30		CCEDRM
C#CCOCCC(=O)[N-]S(=O)(=O)Cc1ccccc1	ZINC000179376728	623249546	/nfs/dbraw/zinc/24/95/46/623249546.db2.gz	RDYBKJAPNDCUJI-UHFFFAOYSA-N	-1	0	281.333	0.673	20	30		CCEDRM
Cc1n[nH]c(C(=O)N[C@H](C)[C@H]2CCCN(CC#N)C2)c1[O-]	ZINC001025384163	623742542	/nfs/dbraw/zinc/74/25/42/623742542.db2.gz	AMWIRTBVFQTJMX-KOLCDFICSA-N	-1	0	291.355	0.778	20	30		CCEDRM
CCOCCCC(=O)[N-]S(=O)(=O)c1cnn(C)c1	ZINC000048520053	624697527	/nfs/dbraw/zinc/69/75/27/624697527.db2.gz	LPHMUMBAUFGXFR-UHFFFAOYSA-N	-1	0	275.330	0.882	20	30		CCEDRM
CCn1cc(/C=C\C(=O)c2cnc([O-])n(C)c2=O)cn1	ZINC000255292120	624840348	/nfs/dbraw/zinc/84/03/48/624840348.db2.gz	XTNCOMNREMEKEZ-PLNGDYQASA-N	-1	0	274.280	0.598	20	30		CCEDRM
C=CCN(CC(=O)[O-])C(=O)[C@H]1CCCN(C(=O)C2CC2)C1	ZINC000092462404	624851086	/nfs/dbraw/zinc/85/10/86/624851086.db2.gz	YMIOLNNNRURTIP-LBPRGKRZSA-N	-1	0	294.351	0.734	20	30		CCEDRM
C=CCN(CC(=O)[O-])C(=O)CCNC(=O)c1ccsc1	ZINC000092462377	624851583	/nfs/dbraw/zinc/85/15/83/624851583.db2.gz	DDCRFRVAZREVTF-UHFFFAOYSA-N	-1	0	296.348	0.967	20	30		CCEDRM
N#C[C@@]1(C(=O)[N-]OCc2cccnc2)CCCOC1	ZINC000866862494	625037304	/nfs/dbraw/zinc/03/73/04/625037304.db2.gz	ISYKICHYPDBLEI-ZDUSSCGKSA-N	-1	0	261.281	0.950	20	30		CCEDRM
COCCCNC(=O)C(C#N)=C([O-])c1ccc(COC)o1	ZINC000125134551	625769290	/nfs/dbraw/zinc/76/92/90/625769290.db2.gz	RRGQATOOCPHLDO-LLVKDONJSA-N	-1	0	294.307	0.901	20	30		CCEDRM
N#Cc1c(F)cccc1N1CCOC[C@@H]1C(=O)[O-]	ZINC000093396374	625926924	/nfs/dbraw/zinc/92/69/24/625926924.db2.gz	KNDGMQPMERSFGT-LLVKDONJSA-N	-1	0	250.229	0.987	20	30		CCEDRM
CC(=O)N[C@@H](C(=O)[N-]S(C)(=O)=O)C1CCCC1	ZINC000075796919	630852468	/nfs/dbraw/zinc/85/24/68/630852468.db2.gz	OBMRMMLYSSDQFK-SECBINFHSA-N	-1	0	262.331	0.597	20	30		CCEDRM
C#CCO[C@@H](C)C(=O)[N-]S(=O)(=O)CC[C@@H]1CCCO1	ZINC000893710603	631415000	/nfs/dbraw/zinc/41/50/00/631415000.db2.gz	URTINUSUQGWGOH-QWRGUYRKSA-N	-1	0	289.353	0.040	20	30		CCEDRM
Cc1noc(C)c1C(=O)[N-]S(=O)(=O)c1cnn(C)c1	ZINC000048520020	631730531	/nfs/dbraw/zinc/73/05/31/631730531.db2.gz	STFFDDSSIUFRNL-UHFFFAOYSA-N	-1	0	284.297	0.718	20	30		CCEDRM
Cc1c(C(=O)[N-]S(=O)(=O)N2CCCC2)cnn1C	ZINC000048869563	631848320	/nfs/dbraw/zinc/84/83/20/631848320.db2.gz	PCYIPSRNYHVDCA-UHFFFAOYSA-N	-1	0	272.330	0.374	20	30		CCEDRM
N#CC1(CS(=O)(=O)[N-]C(=O)CC[C@@H]2CCOC2)CC1	ZINC000793206316	631911237	/nfs/dbraw/zinc/91/12/37/631911237.db2.gz	ZBYLGTKAMTVOHE-SNVBAGLBSA-N	-1	0	286.353	0.553	20	30		CCEDRM
CC#CCCCC(=O)[N-]S(=O)(=O)c1cnn(C)c1	ZINC000186191655	631966376	/nfs/dbraw/zinc/96/63/76/631966376.db2.gz	GDTCSWZVFSJDEH-UHFFFAOYSA-N	-1	0	269.326	0.419	20	30		CCEDRM
C=C(C)COC(=O)c1coc(S(=O)(=O)NC)c1	ZINC000179339004	633156345	/nfs/dbraw/zinc/15/63/45/633156345.db2.gz	VVDGZBLJVSDHIV-UHFFFAOYSA-N	-1	0	259.283	0.921	20	30		CCEDRM
C[C@H]1C(=O)N([N-]C(=O)c2cc(C#N)cs2)C(=O)N1C	ZINC000899034268	633717966	/nfs/dbraw/zinc/71/79/66/633717966.db2.gz	TXPMTZJWBVRXBC-LURJTMIESA-N	-1	0	278.293	0.547	20	30		CCEDRM
N#Cc1ccc2c(c1)C[C@@H](NC(=O)[C@H]1C[C@H]1C(=O)[O-])C2	ZINC000899832881	633900536	/nfs/dbraw/zinc/90/05/36/633900536.db2.gz	JGWULCNVYMFXDR-RWMBFGLXSA-N	-1	0	270.288	0.862	20	30		CCEDRM
N#Cc1nc(N2CCOC[C@@H]2C(=O)[O-])sc1Cl	ZINC000900945978	634126223	/nfs/dbraw/zinc/12/62/23/634126223.db2.gz	MVHVSKKIMWHZCC-ZCFIWIBFSA-N	-1	0	273.701	0.958	20	30		CCEDRM
N#Cc1nccc(N2C[C@@H](C(=O)[O-])[C@H](C3CC3)C2)n1	ZINC000900988226	634138151	/nfs/dbraw/zinc/13/81/51/634138151.db2.gz	SQQSYYGASYKPCY-VHSXEESVSA-N	-1	0	258.281	0.895	20	30		CCEDRM
Cn1cc(C(=O)[O-])cc1C=NNC(=S)NC1CC1	ZINC000901137696	634198611	/nfs/dbraw/zinc/19/86/11/634198611.db2.gz	IKTYVMUNTSJBLK-UHFFFAOYSA-N	-1	0	266.326	0.684	20	30		CCEDRM
N#CC1(CS(=O)(=O)N2CC3CCC2(C(=O)[O-])CC3)CC1	ZINC000906001146	634947327	/nfs/dbraw/zinc/94/73/27/634947327.db2.gz	DHJIOWGRPVIGDG-UHFFFAOYSA-N	-1	0	298.364	0.949	20	30		CCEDRM
N#Cc1nc(NC(=O)Cc2cn3ccccc3n2)[n-]c1C#N	ZINC000914532786	637686211	/nfs/dbraw/zinc/68/62/11/637686211.db2.gz	XTEFONHGFFFONP-UHFFFAOYSA-N	-1	0	291.274	0.982	20	30		CCEDRM
C[C@@H](C(=O)Nc1cc(C#N)ccc1[O-])N1CCN(C)CC1	ZINC000179740265	638241253	/nfs/dbraw/zinc/24/12/53/638241253.db2.gz	MUBMFTKZGJKRNU-NSHDSACASA-N	-1	0	288.351	0.838	20	30		CCEDRM
COc1ccc(CC(=O)[N-]S(=O)(=O)CCCC#N)cc1	ZINC000181271421	638328298	/nfs/dbraw/zinc/32/82/98/638328298.db2.gz	CQDLVYOQIVCWDS-UHFFFAOYSA-N	-1	0	296.348	0.987	20	30		CCEDRM
CC(C)OCCC(=O)[N-]S(=O)(=O)CCCC#N	ZINC000181265464	638329582	/nfs/dbraw/zinc/32/95/82/638329582.db2.gz	CBJBODRNUXWZTM-UHFFFAOYSA-N	-1	0	262.331	0.551	20	30		CCEDRM
N#CCCCS(=O)(=O)[N-]C(=O)c1ccccc1[N+](=O)[O-]	ZINC000181292090	638333344	/nfs/dbraw/zinc/33/33/44/638333344.db2.gz	OXFTXKFXSUZSHX-UHFFFAOYSA-N	-1	0	297.292	0.958	20	30		CCEDRM
C#CCCNS(=O)(=O)c1ccc(OC)c(C(=O)[O-])c1	ZINC000070246312	638473108	/nfs/dbraw/zinc/47/31/08/638473108.db2.gz	DRVNUVNKPPMTMR-UHFFFAOYSA-N	-1	0	283.305	0.695	20	30		CCEDRM
O=C(N[C@@H]1CCN(O)C1=O)c1ccc(Cl)cn1	ZINC000820156359	638865412	/nfs/dbraw/zinc/86/54/12/638865412.db2.gz	GWVMNIFXPQBVJA-MRVPVSSYSA-N	-1	0	255.661	0.455	20	30		CCEDRM
Cc1[nH]nc(C(=O)N(C)C2CC(NCC#N)C2)c1[O-]	ZINC000998642203	638932166	/nfs/dbraw/zinc/93/21/66/638932166.db2.gz	PILGRFZUZMFXGR-UHFFFAOYSA-N	-1	0	263.301	0.140	20	30		CCEDRM
N#C[C@]1(C(=O)N2CCO[C@H](C(=O)[O-])C2)CC12CCCC2	ZINC000923059509	640011252	/nfs/dbraw/zinc/01/12/52/640011252.db2.gz	YSDAMBLMHMQLGK-HZMBPMFUSA-N	-1	0	278.308	0.772	20	30		CCEDRM
N#C[C@]1(C(=O)NCC2(C(=O)[O-])CCC2)CCCOC1	ZINC000923066149	640014159	/nfs/dbraw/zinc/01/41/59/640014159.db2.gz	WLTXUWGIHQFNFW-CYBMUJFWSA-N	-1	0	266.297	0.678	20	30		CCEDRM
N#C[C@@]1(C(=O)N2CC[C@H]3[C@@H](C(=O)[O-])[C@H]3C2)CCCOC1	ZINC000923105114	640025098	/nfs/dbraw/zinc/02/50/98/640025098.db2.gz	ZNXRIRLBEBJUNV-DEKYYXRVSA-N	-1	0	278.308	0.486	20	30		CCEDRM
N#C[C@@]1(C(=O)N[C@H]2C[C@@H](C(=O)[O-])[C@@H]3C[C@@H]32)CCCOC1	ZINC000923192146	640049451	/nfs/dbraw/zinc/04/94/51/640049451.db2.gz	IRWLYXAPZPHDQF-TUYISWAISA-N	-1	0	278.308	0.532	20	30		CCEDRM
N#C[C@]1(C(=O)N[C@H]2C[C@@H](C(=O)[O-])[C@@H]3C[C@@H]32)CCCOC1	ZINC000923192143	640049550	/nfs/dbraw/zinc/04/95/50/640049550.db2.gz	IRWLYXAPZPHDQF-AHMQBVQWSA-N	-1	0	278.308	0.532	20	30		CCEDRM
C=CCCOCC[N-]S(=O)(=O)N=[S@](C)(=O)CC	ZINC000867017015	640353076	/nfs/dbraw/zinc/35/30/76/640353076.db2.gz	BRTOQTCGEZXIOE-MRXNPFEDSA-N	-1	0	284.403	0.531	20	30		CCEDRM
Cn1nccc1S(=O)(=O)[N-]C(=O)CCCCCC#N	ZINC000805921035	640441868	/nfs/dbraw/zinc/44/18/68/640441868.db2.gz	QPJNTFCAEXZXOO-UHFFFAOYSA-N	-1	0	284.341	0.699	20	30		CCEDRM
C[C@@H]1C[C@H](C)[C@@H](C(=O)[N-]S(=O)(=O)CCCC#N)O1	ZINC000800404240	640611492	/nfs/dbraw/zinc/61/14/92/640611492.db2.gz	WDOYIOBMYSBCDN-AEJSXWLSSA-N	-1	0	274.342	0.550	20	30		CCEDRM
C#CCCCC(=O)[N-]S(=O)(=O)[C@@H](C)[C@@H](C)C(=O)OC	ZINC000802162897	640687917	/nfs/dbraw/zinc/68/79/17/640687917.db2.gz	DETLCMILVFMYLZ-ZJUUUORDSA-N	-1	0	289.353	0.434	20	30		CCEDRM
C[C@@H](C#N)OCCN1CCC[C@@H](c2n[nH]c(=O)[n-]2)C1	ZINC000808777427	640879113	/nfs/dbraw/zinc/87/91/13/640879113.db2.gz	NCTSYMITMKRLKQ-VHSXEESVSA-N	-1	0	265.317	0.618	20	30		CCEDRM
COc1cccnc1CC(=O)[N-]S(=O)(=O)CCCC#N	ZINC000810656790	640943808	/nfs/dbraw/zinc/94/38/08/640943808.db2.gz	MSMXJKOTEGSRJZ-UHFFFAOYSA-N	-1	0	297.336	0.382	20	30		CCEDRM
N#CCCCS(=O)(=O)[N-]C(=O)[C@H]1CCCSC1	ZINC000810657173	640944105	/nfs/dbraw/zinc/94/41/05/640944105.db2.gz	SHJNDIRACCAUCN-VIFPVBQESA-N	-1	0	276.383	0.879	20	30		CCEDRM
N#CC1(COC(=O)c2ccc([N+](=O)[O-])[n-]2)COC1	ZINC000811045889	640961547	/nfs/dbraw/zinc/96/15/47/640961547.db2.gz	BJQIWEFWYUHWFK-UHFFFAOYSA-N	-1	0	251.198	0.620	20	30		CCEDRM
Cc1c(S(=O)(=O)[N-]C(=O)CCCC#N)cnn1C	ZINC000813952169	641051277	/nfs/dbraw/zinc/05/12/77/641051277.db2.gz	ZXSRQYASZQTAGS-UHFFFAOYSA-N	-1	0	270.314	0.227	20	30		CCEDRM
N#Cc1cncc(S(=O)(=O)[N-]C(=O)[C@@H]2C[C@@H]2C2CC2)c1	ZINC000813985255	641052227	/nfs/dbraw/zinc/05/22/27/641052227.db2.gz	SPJZYBSALOFOEU-VXGBXAGGSA-N	-1	0	291.332	0.804	20	30		CCEDRM
Cc1nnc(NN=Cc2cnc(N(C)C)nc2)[n-]c1=O	ZINC000814734387	641075468	/nfs/dbraw/zinc/07/54/68/641075468.db2.gz	AULQCVAEGHTPRT-UHFFFAOYSA-N	-1	0	274.288	0.188	20	30		CCEDRM
N#CC1(CC(=O)[N-]S(=O)(=O)N2CCCC2)CC1	ZINC000815919516	641129476	/nfs/dbraw/zinc/12/94/76/641129476.db2.gz	CBIFLFQQDLUXRP-UHFFFAOYSA-N	-1	0	257.315	0.137	20	30		CCEDRM
Cc1cc(C#N)cnc1C([O-])=C(C#N)C(=O)NC1CC1	ZINC000815908403	641129997	/nfs/dbraw/zinc/12/99/97/641129997.db2.gz	AMACYYKPTAPKBI-NSHDSACASA-N	-1	0	268.276	0.863	20	30		CCEDRM
Cn1ccnc1C([O-])=C(C#N)C(=O)CN1CCCCC1=O	ZINC000815987762	641134048	/nfs/dbraw/zinc/13/40/48/641134048.db2.gz	OGIXWIMJWMQIPJ-JTQLQIEISA-N	-1	0	288.307	0.324	20	30		CCEDRM
Cn1ccnc1C([O-])=C(C#N)C(=O)CN1CCCCC1=O	ZINC000815987763	641134257	/nfs/dbraw/zinc/13/42/57/641134257.db2.gz	OGIXWIMJWMQIPJ-SNVBAGLBSA-N	-1	0	288.307	0.324	20	30		CCEDRM
C[C@H](c1cccc(C#N)c1)N(C)C(=O)c1cc(=O)[nH][n-]1	ZINC000819737414	641428459	/nfs/dbraw/zinc/42/84/59/641428459.db2.gz	XPYTWSOAPLFKJX-SECBINFHSA-N	-1	0	270.292	0.954	20	30		CCEDRM
N#CC1(CS(=O)(=O)[N-]C(=O)/C=C/[C@H]2CCCO2)CCC1	ZINC000820658725	641523304	/nfs/dbraw/zinc/52/33/04/641523304.db2.gz	APVQDYXGLANYJB-SGUJLRQBSA-N	-1	0	298.364	0.861	20	30		CCEDRM
N#CCCS(=O)(=O)[N-]C(=O)/C=C\[C@H]1CCCO1	ZINC000821047424	641558128	/nfs/dbraw/zinc/55/81/28/641558128.db2.gz	OJYZWPNTIDFYEF-XRVBUDJMSA-N	-1	0	258.299	0.081	20	30		CCEDRM
O=C([O-])[C@@H]1CN(CC#Cc2ccc(F)cc2)CCO1	ZINC000821512460	641605784	/nfs/dbraw/zinc/60/57/84/641605784.db2.gz	ITBIMPAJJQVURU-ZDUSSCGKSA-N	-1	0	263.268	0.963	20	30		CCEDRM
N#CCCS(=O)(=O)[N-]C(=O)[C@H]1[C@@H]2CCCC[C@@H]21	ZINC000821584149	641611311	/nfs/dbraw/zinc/61/13/11/641611311.db2.gz	SQUCSTXRYCLXOI-MYJAWHEDSA-N	-1	0	256.327	0.782	20	30		CCEDRM
N#Cc1ccc([O-])c(NC(=O)C2(n3cnnn3)CC2)c1	ZINC000831271058	642340437	/nfs/dbraw/zinc/34/04/37/642340437.db2.gz	CNRDQJHRAHUKRH-UHFFFAOYSA-N	-1	0	270.252	0.378	20	30		CCEDRM
O=C([O-])c1ccc(NNC2=CC(=O)N3CCC[C@H]23)cn1	ZINC000835010030	642645332	/nfs/dbraw/zinc/64/53/32/642645332.db2.gz	LXFGWJXWPIJILX-LLVKDONJSA-N	-1	0	274.280	0.942	20	30		CCEDRM
C#CCO[C@@H](C)C(=O)[N-]S(=O)(=O)CCC(C)(C)OC	ZINC000835356888	642657608	/nfs/dbraw/zinc/65/76/08/642657608.db2.gz	PCLWWHHHYLVZRS-JTQLQIEISA-N	-1	0	291.369	0.286	20	30		CCEDRM
N#CCCS(=O)(=O)[N-]C(=O)C1Cc2ccccc2C1	ZINC000835408018	642660861	/nfs/dbraw/zinc/66/08/61/642660861.db2.gz	AZVFPYAOHJEUDD-UHFFFAOYSA-N	-1	0	278.333	0.761	20	30		CCEDRM
C#CCCCC(=O)[N-]S(=O)(=O)c1cnccc1C	ZINC000842394599	642896697	/nfs/dbraw/zinc/89/66/97/642896697.db2.gz	MQUCLFVPQKSWIN-UHFFFAOYSA-N	-1	0	266.322	0.998	20	30		CCEDRM
C[C@@H](CO)N(C)N=Cc1cc([N+](=O)[O-])ccc1[O-]	ZINC000842545073	642910873	/nfs/dbraw/zinc/91/08/73/642910873.db2.gz	OBRFINLPAZLLIM-QMMMGPOBSA-N	-1	0	253.258	0.947	20	30		CCEDRM
N#Cc1c[n-]c(=O)n(CC2CCC3(CC2)OCCO3)c1=O	ZINC000842618887	642917494	/nfs/dbraw/zinc/91/74/94/642917494.db2.gz	YYLQEMFYJBQCGE-UHFFFAOYSA-N	-1	0	291.307	0.342	20	30		CCEDRM
O=C([O-])C#CC1CCN(S(=O)(=O)CC2CC2)CC1	ZINC000844817052	643249638	/nfs/dbraw/zinc/24/96/38/643249638.db2.gz	NWLXUYKGXZFMPI-UHFFFAOYSA-N	-1	0	271.338	0.526	20	30		CCEDRM
C[C@H](CC#N)C(=O)[N-]S(=O)(=O)Cc1cccnc1	ZINC000850939342	643822922	/nfs/dbraw/zinc/82/29/22/643822922.db2.gz	SATGORWBDJMHNA-SECBINFHSA-N	-1	0	267.310	0.577	20	30		CCEDRM
C[C@H]1CN=C(NN=Cc2ccc(C(=O)[O-])c(F)c2)N1	ZINC000853329504	644098715	/nfs/dbraw/zinc/09/87/15/644098715.db2.gz	ANCWRUAYBBVBFC-ZETCQYMHSA-N	-1	0	264.260	0.795	20	30		CCEDRM
N#CC1(CS(=O)(=O)[N-]C(=O)c2cccnn2)CCC1	ZINC000860671419	644820921	/nfs/dbraw/zinc/82/09/21/644820921.db2.gz	CMUBMMWMRJHBEG-UHFFFAOYSA-N	-1	0	280.309	0.230	20	30		CCEDRM
N#CCc1ccccc1C(=O)N[C@H]1CCCN(O)C1=O	ZINC000868562577	645786462	/nfs/dbraw/zinc/78/64/62/645786462.db2.gz	IIXBTCVWKYEPTO-LBPRGKRZSA-N	-1	0	273.292	0.863	20	30		CCEDRM
Cc1ccc(S(=O)(=O)N(C)CC(=O)[O-])c(C#N)c1	ZINC000871636556	646161289	/nfs/dbraw/zinc/16/12/89/646161289.db2.gz	MFRYSCGOLTZTII-UHFFFAOYSA-N	-1	0	268.294	0.572	20	30		CCEDRM
Cn1ccnc1C([O-])=C(C#N)C(=O)[C@@H]1CCCCO1	ZINC000132667968	647557467	/nfs/dbraw/zinc/55/74/67/647557467.db2.gz	PMDUQXXWNXIBNF-UWVGGRQHSA-N	-1	0	261.281	0.881	20	30		CCEDRM
Cn1cc(C(=O)[N-]S(=O)(=O)c2cccc(C#N)c2)cn1	ZINC000048519495	649322414	/nfs/dbraw/zinc/32/24/14/649322414.db2.gz	BUXLOTSZXHNBMM-UHFFFAOYSA-N	-1	0	290.304	0.985	20	30		CCEDRM
CC(C)NC(=O)C(C#N)=C([O-])c1cccc(C(N)=O)c1	ZINC000193487441	649542211	/nfs/dbraw/zinc/54/22/11/649542211.db2.gz	SODHEJKXGXCOEA-NSHDSACASA-N	-1	0	273.292	0.633	20	30		CCEDRM
CCCOCC(=O)[N-]S(=O)(=O)Cc1cccc(C#N)c1	ZINC000195496746	649601763	/nfs/dbraw/zinc/60/17/63/649601763.db2.gz	GVUVTCMUNRRTFG-UHFFFAOYSA-N	-1	0	296.348	0.931	20	30		CCEDRM
Cn1nccc1C(=O)[N-]S(=O)(=O)c1cccc(C#N)c1	ZINC000195491032	649601975	/nfs/dbraw/zinc/60/19/75/649601975.db2.gz	XOWNIWJZJVENDP-UHFFFAOYSA-N	-1	0	290.304	0.410	20	30		CCEDRM
C#CCN(CC(=O)[O-])S(=O)(=O)N(CCC)CCC	ZINC000092480010	649724373	/nfs/dbraw/zinc/72/43/73/649724373.db2.gz	WEOPPUQYGYUCLE-UHFFFAOYSA-N	-1	0	276.358	0.373	20	30		CCEDRM
CCN1C(=O)CN(Cc2cc(C#N)ccc2[O-])CC1=O	ZINC001232673489	805967795	/nfs/dbraw/zinc/96/77/95/805967795.db2.gz	HXTYTWYTVSSZBK-UHFFFAOYSA-N	-1	0	273.292	0.455	20	30		CCEDRM
C#CCN(CC#CC)C(=O)c1csc(C(=O)[O-])n1	ZINC000721479432	791183877	/nfs/dbraw/zinc/18/38/77/791183877.db2.gz	RASANPSEXSFFSD-UHFFFAOYSA-N	-1	0	262.290	0.940	20	30		CCEDRM
C=CCOC[C@H]1CCC[C@@]12CN(C(=O)C(=O)[O-])CCO2	ZINC001143413050	791369223	/nfs/dbraw/zinc/36/92/23/791369223.db2.gz	HVKSAGOOYAQOAN-BXUZGUMPSA-N	-1	0	283.324	0.671	20	30		CCEDRM
COC(=O)c1ccc(N[C@@H]2CO[N-]C2=O)cc1CC#N	ZINC001167519516	791508087	/nfs/dbraw/zinc/50/80/87/791508087.db2.gz	ZNTJRBJRTGIGNF-LLVKDONJSA-N	-1	0	275.264	0.381	20	30		CCEDRM
Cc1cc(C(=O)[O-])cc(-n2nc(N)c(C#N)c2N)c1	ZINC001211539105	791519277	/nfs/dbraw/zinc/51/92/77/791519277.db2.gz	FZRIPAUDSQRKGQ-UHFFFAOYSA-N	-1	0	257.253	0.915	20	30		CCEDRM
C=C(C)C[C@H](CO)NC(=O)NC[C@H](C(=O)[O-])C(C)C	ZINC001121918303	799093414	/nfs/dbraw/zinc/09/34/14/799093414.db2.gz	FNIZIHMHEPAFIY-MNOVXSKESA-N	-1	0	272.345	0.970	20	30		CCEDRM
CCN(C)C(=O)c1cccc(C([O-])=C(C#N)C(=O)NC)c1	ZINC001122493497	799248584	/nfs/dbraw/zinc/24/85/84/799248584.db2.gz	RTKJRSVUWOMRAQ-GFCCVEGCSA-N	-1	0	287.319	0.847	20	30		CCEDRM
CNC(=O)C(C#N)=C([O-])c1ccc(CNC(C)=O)cc1	ZINC001122625584	799277803	/nfs/dbraw/zinc/27/78/03/799277803.db2.gz	PNVWLUVYJMJAJA-GFCCVEGCSA-N	-1	0	273.292	0.391	20	30		CCEDRM
CCc1cc(C(=O)C(C#N)=C([O-])c2nccn2C)nn1C	ZINC001122721591	799289772	/nfs/dbraw/zinc/28/97/72/799289772.db2.gz	PEVTZJGZRGOFNK-JTQLQIEISA-N	-1	0	285.307	0.921	20	30		CCEDRM
C=C(C)[C@@H]1OCC[C@@H]1C(=O)NC[C@@H](C(=O)[O-])[C@@H]1CCOC1	ZINC001123294944	799385996	/nfs/dbraw/zinc/38/59/96/799385996.db2.gz	BUUDPWNCOLRNDC-XQHKEYJVSA-N	-1	0	297.351	0.821	20	30		CCEDRM
COCC#CC(=O)Nc1cc([N+](=O)[O-])ccc1[O-]	ZINC001138013580	799698063	/nfs/dbraw/zinc/69/80/63/799698063.db2.gz	RLDIOARUUNVAMQ-UHFFFAOYSA-N	-1	0	250.210	0.889	20	30		CCEDRM
O=C(N[C@H]1CCN(O)C1=O)c1sccc1-n1ccnn1	ZINC001141380422	800004175	/nfs/dbraw/zinc/00/41/75/800004175.db2.gz	PEHSULWZGVRFND-ZETCQYMHSA-N	-1	0	293.308	0.049	20	30		CCEDRM
C=C(Br)CNC(=O)c1c[n-]ncc1=O	ZINC001142703735	800150464	/nfs/dbraw/zinc/15/04/64/800150464.db2.gz	BBICZLIWDFLJBQ-UHFFFAOYSA-N	-1	0	258.075	0.821	20	30		CCEDRM
Cc1n[nH]c(C(=O)NCCC2=CCN(CC#N)CC2)c1[O-]	ZINC001159811169	801874584	/nfs/dbraw/zinc/87/45/84/801874584.db2.gz	FMSRPNQIJRWBDO-UHFFFAOYSA-N	-1	0	289.339	0.699	20	30		CCEDRM
C=C[C@@H](C)[C@H](C)C(=O)NCCC[NH2+]Cc1n[nH]c(=O)[n-]1	ZINC001164221793	802690282	/nfs/dbraw/zinc/69/02/82/802690282.db2.gz	FEICPUFPZUJRLL-ZJUUUORDSA-N	-1	0	281.360	0.564	20	30		CCEDRM
CCOC(=O)c1n[nH]c([C@@H](C)NC(=O)CCCC#N)n1	ZINC001166127629	802886058	/nfs/dbraw/zinc/88/60/58/802886058.db2.gz	UACUDKWYWZMGFN-MRVPVSSYSA-N	-1	0	279.300	0.852	20	30		CCEDRM
N#Cc1c(N)nn(-c2cc(F)c(F)c(C(=O)[O-])c2)c1N	ZINC001215459595	803811264	/nfs/dbraw/zinc/81/12/64/803811264.db2.gz	RKNZHNKJPOSOEH-UHFFFAOYSA-N	-1	0	279.206	0.885	20	30		CCEDRM
C=CCCOCCNS(=O)(=O)[C@@H]1CCC[C@H]1C(=O)[O-]	ZINC001465108001	804095125	/nfs/dbraw/zinc/09/51/25/804095125.db2.gz	WOZIWBKGULNRMP-GHMZBOCLSA-N	-1	0	291.369	0.752	20	30		CCEDRM
C=CCOCCNS(=O)(=O)[C@H]1CCC[C@@H]1C(=O)[O-]	ZINC001465107975	804095307	/nfs/dbraw/zinc/09/53/07/804095307.db2.gz	WFCLUSTZJIOJHN-UWVGGRQHSA-N	-1	0	277.342	0.362	20	30		CCEDRM
C=CCC[C@@H](NC(=O)NC1CCOCC1)C(=O)[O-]	ZINC000316010274	804663210	/nfs/dbraw/zinc/66/32/10/804663210.db2.gz	IFKHFYYOLLGXER-SNVBAGLBSA-N	-1	0	256.302	0.884	20	30		CCEDRM
C=CCC[C@H](NS(=O)(=O)CCCC(=O)OC)C(=O)[O-]	ZINC000316229640	804681341	/nfs/dbraw/zinc/68/13/41/804681341.db2.gz	BMIDHEXWKMJSEV-VIFPVBQESA-N	-1	0	293.341	0.278	20	30		CCEDRM
C=CCC[C@@H](NC(=O)N[C@H]1CCC[N@@H+](C)C1)C(=O)[O-]	ZINC000316551673	804709483	/nfs/dbraw/zinc/70/94/83/804709483.db2.gz	YKTZJWOBFYKPJJ-WDEREUQCSA-N	-1	0	269.345	0.799	20	30		CCEDRM
N#Cc1ccccc1OCCOC(=O)[C@H](O)CC(=O)[O-]	ZINC001222419060	804899866	/nfs/dbraw/zinc/89/98/66/804899866.db2.gz	XXOHIKZHUDTRTQ-SNVBAGLBSA-N	-1	0	279.248	0.316	20	30		CCEDRM
N#Cc1ccc(COC(=O)[C@H](O)CCC(=O)[O-])s1	ZINC001223286789	804964412	/nfs/dbraw/zinc/96/44/12/804964412.db2.gz	XLWDKQXYJJCCMZ-SECBINFHSA-N	-1	0	269.278	0.889	20	30		CCEDRM
N#Cc1ccc(OC(=O)[C@H](O)CC(=O)[O-])c(Cl)c1	ZINC001225727365	805153844	/nfs/dbraw/zinc/15/38/44/805153844.db2.gz	PBWYVKXMOKCIHD-MRVPVSSYSA-N	-1	0	269.640	0.953	20	30		CCEDRM
Cc1ccc(C#N)c(OC(=O)[C@@H](O)CC(=O)[O-])n1	ZINC001225860681	805171207	/nfs/dbraw/zinc/17/12/07/805171207.db2.gz	PKOOSJSGABEIBT-QMMMGPOBSA-N	-1	0	250.210	0.003	20	30		CCEDRM
CCOC(=O)C[C@@H](CC#N)Oc1nncc(=O)[n-]1	ZINC001226167413	805199591	/nfs/dbraw/zinc/19/95/91/805199591.db2.gz	BYQPNBAILXXCBO-SSDOTTSWSA-N	-1	0	252.230	0.191	20	30		CCEDRM
N#Cc1ccccc1CN1CC[C@@H](Oc2c([O-])c(=O)c2=O)C1	ZINC001226607798	805255533	/nfs/dbraw/zinc/25/55/33/805255533.db2.gz	SPSSDAXJXORZKO-GFCCVEGCSA-N	-1	0	298.298	0.513	20	30		CCEDRM
N#Cc1ccc(F)c(OC(=O)[C@H](O)CCC(=O)[O-])c1	ZINC001227057612	805315346	/nfs/dbraw/zinc/31/53/46/805315346.db2.gz	DBVQFKBTEMJMTN-SECBINFHSA-N	-1	0	267.212	0.828	20	30		CCEDRM
C[C@@H]1OCc2c1[n-]c(=O)nc2OC1CN(CCC#N)C1	ZINC001227716666	805384621	/nfs/dbraw/zinc/38/46/21/805384621.db2.gz	UOWWEIOWUJQBIX-QMMMGPOBSA-N	-1	0	276.296	0.750	20	30		CCEDRM
N#Cc1ccc(O)cc1OC(=O)[C@H](O)CCC(=O)[O-]	ZINC001228005794	805407464	/nfs/dbraw/zinc/40/74/64/805407464.db2.gz	SCGYRNHLOCFYCV-SECBINFHSA-N	-1	0	265.221	0.395	20	30		CCEDRM
COc1ccc(OC(=O)[C@H](O)CC(=O)[O-])c(C#N)c1	ZINC001228117536	805414247	/nfs/dbraw/zinc/41/42/47/805414247.db2.gz	KVGPWBAIDPGTGK-SECBINFHSA-N	-1	0	265.221	0.308	20	30		CCEDRM
CC[C@H]1OC(C)=C(Oc2nnc(C(=O)OC)[n-]2)C1=O	ZINC001228312866	805435520	/nfs/dbraw/zinc/43/55/20/805435520.db2.gz	XQFQTYLRSWRMJD-ZCFIWIBFSA-N	-1	0	267.241	0.580	20	30		CCEDRM
C#C[C@@H](Oc1nc(C)[n-]c(=O)c1[N+](=O)[O-])C(=O)OCC	ZINC001229377472	805527834	/nfs/dbraw/zinc/52/78/34/805527834.db2.gz	BPQGFBXMILZGFZ-SSDOTTSWSA-N	-1	0	281.224	0.343	20	30		CCEDRM
CO[N-]C(=O)CNC(=O)NC(C)(C)c1cccc(C#N)c1	ZINC001251350351	807680426	/nfs/dbraw/zinc/68/04/26/807680426.db2.gz	VQTPMEPEHRVHRQ-UHFFFAOYSA-N	-1	0	290.323	0.770	20	30		CCEDRM
N#Cc1cnc2ccnn2c1[N-]S(=O)(=O)C(F)(F)F	ZINC001252281619	807801736	/nfs/dbraw/zinc/80/17/36/807801736.db2.gz	GWKBIJQKXLSWJH-UHFFFAOYSA-N	-1	0	291.214	0.862	20	30		CCEDRM
COc1ncnc([N-]S(=O)(=O)C(F)(F)F)c1C#N	ZINC001252293420	807803119	/nfs/dbraw/zinc/80/31/19/807803119.db2.gz	WHBSDMRXQSEXAZ-UHFFFAOYSA-N	-1	0	282.203	0.618	20	30		CCEDRM
CC(C)(C)OC(=O)N[C@@H](CCn1cc(C#N)nn1)C(=O)[O-]	ZINC001254086833	808178980	/nfs/dbraw/zinc/17/89/80/808178980.db2.gz	YXLBLNZZGNBJHD-VIFPVBQESA-N	-1	0	295.299	0.518	20	30		CCEDRM
Cn1cnc([N-]S(=O)(=O)c2ccccc2C#N)n1	ZINC001258185538	808662856	/nfs/dbraw/zinc/66/28/56/808662856.db2.gz	SVYAFZANWXLECB-UHFFFAOYSA-N	-1	0	263.282	0.488	20	30		CCEDRM
Cn1nncc1[N-]S(=O)(=O)c1ccccc1C#N	ZINC001258208820	808663879	/nfs/dbraw/zinc/66/38/79/808663879.db2.gz	YYECPKJBQKZLKM-UHFFFAOYSA-N	-1	0	263.282	0.488	20	30		CCEDRM
COC(=O)CS(=O)(=O)[N-]c1ccc(C(C)(C)C#N)nc1	ZINC001259018730	808718144	/nfs/dbraw/zinc/71/81/44/808718144.db2.gz	DXXZLBOWBJOMKV-UHFFFAOYSA-N	-1	0	297.336	0.797	20	30		CCEDRM
N#Cc1cccc(S(=O)(=O)NCc2cc(=O)[n-]o2)c1	ZINC001259128010	808735151	/nfs/dbraw/zinc/73/51/51/808735151.db2.gz	XIYGURQRQNUJCG-UHFFFAOYSA-N	-1	0	279.277	0.730	20	30		CCEDRM
COc1nonc1[N-]S(=O)(=O)c1ccc(F)c(C#N)c1	ZINC001259412270	808757648	/nfs/dbraw/zinc/75/76/48/808757648.db2.gz	YTCUZWIWDNCWDS-UHFFFAOYSA-N	-1	0	298.255	0.890	20	30		CCEDRM
C=CCS(=O)(=O)[N-]c1ccc(F)cc1C(N)=O	ZINC001259930123	808808147	/nfs/dbraw/zinc/80/81/47/808808147.db2.gz	LGIBSOYRELXGBS-UHFFFAOYSA-N	-1	0	258.274	0.852	20	30		CCEDRM
C#Cc1cc([N-]S(=O)(=O)c2c(C)n[nH]c2C)ccn1	ZINC001261024431	808898976	/nfs/dbraw/zinc/89/89/76/808898976.db2.gz	YYPZWUHXUBTSEC-UHFFFAOYSA-N	-1	0	276.321	0.626	20	30		CCEDRM
C#CCCS(=O)(=O)N[C@H](C(=O)OCC)C1CC1	ZINC001261132518	808911038	/nfs/dbraw/zinc/91/10/38/808911038.db2.gz	LIXOFYIAQMAFKA-JTQLQIEISA-N	-1	0	259.327	0.271	20	30		CCEDRM
C=C[C@@H](C)O[N-]C(=O)C(=O)Nc1nc(COC)cs1	ZINC001261514694	809005068	/nfs/dbraw/zinc/00/50/68/809005068.db2.gz	JWVJLHDRDBHMOA-SSDOTTSWSA-N	-1	0	285.325	0.850	20	30		CCEDRM
C=C[C@@](C)(CCOC)C(=O)N1CC[C@@H](c2nnn[n-]2)C1	ZINC001263886445	809599605	/nfs/dbraw/zinc/59/96/05/809599605.db2.gz	KCZTYTCQSJKPND-MFKMUULPSA-N	-1	0	279.344	0.744	20	30		CCEDRM
Cc1n[nH]c(C(=O)NCCCN(CC#N)C2CC2)c1[O-]	ZINC001266131712	809943742	/nfs/dbraw/zinc/94/37/42/809943742.db2.gz	RSSAPJHMKDNAHY-UHFFFAOYSA-N	-1	0	277.328	0.532	20	30		CCEDRM
Cc1cc(-n2nc(N)c(C#N)c2N)ccc1C(=O)[O-]	ZINC001211652864	811809969	/nfs/dbraw/zinc/80/99/69/811809969.db2.gz	QQZAGBFAAIHLIB-UHFFFAOYSA-N	-1	0	257.253	0.915	20	30		CCEDRM
Cc1n[nH]c(C(=O)NCCC2CCN(CC#N)CC2)c1[O-]	ZINC001267944413	811880036	/nfs/dbraw/zinc/88/00/36/811880036.db2.gz	WZQSHVUJMUHCCY-UHFFFAOYSA-N	-1	0	291.355	0.779	20	30		CCEDRM
C=C[C@](C)(CC)C(=O)NCC1CN(Cc2n[nH]c(=O)[n-]2)C1	ZINC001268874812	813127061	/nfs/dbraw/zinc/12/70/61/813127061.db2.gz	YEGUAWVNJJQBKQ-CQSZACIVSA-N	-1	0	293.371	0.661	20	30		CCEDRM
C[C@H](CNCC#N)CNC(=O)c1ccc2oc(=O)nc-2[n-]1	ZINC001270566650	813815605	/nfs/dbraw/zinc/81/56/05/813815605.db2.gz	BUVMIWIBGWAMDF-MRVPVSSYSA-N	-1	0	289.295	0.407	20	30		CCEDRM
C#CCN1CC[C@]2(CCN(C(=O)c3ccncc3[O-])C2)C1=O	ZINC001271402716	814405678	/nfs/dbraw/zinc/40/56/78/814405678.db2.gz	PYTDICOCCPRIEZ-MRXNPFEDSA-N	-1	0	299.330	0.485	20	30		CCEDRM
Cc1[nH]nc(C(=O)N2CC[C@H]([C@H](C)NCC#N)C2)c1[O-]	ZINC001271482579	814459595	/nfs/dbraw/zinc/45/95/95/814459595.db2.gz	OYIXHTWCHUOOIF-WPRPVWTQSA-N	-1	0	277.328	0.388	20	30		CCEDRM
CNC(=O)C(C#N)=C([O-])c1cc(OC)cc(OC)c1	ZINC000133195570	818232554	/nfs/dbraw/zinc/23/25/54/818232554.db2.gz	DCRAMQXIEKGTPU-LLVKDONJSA-N	-1	0	262.265	0.772	20	30		CCEDRM
CN(C(=O)c1ncccc1O)[C@@H]1CCN(CC#N)C1	ZINC001033024237	818436037	/nfs/dbraw/zinc/43/60/37/818436037.db2.gz	BOVXQRHOQMEDIN-SNVBAGLBSA-N	-1	0	260.297	0.457	20	30		CCEDRM
Cc1cc(N2CCO[C@@](C)(C(=O)[O-])C2)c(C#N)cn1	ZINC000711535314	820048169	/nfs/dbraw/zinc/04/81/69/820048169.db2.gz	LDCMHMXFPCNQQV-CYBMUJFWSA-N	-1	0	261.281	0.942	20	30		CCEDRM
N#Cc1nc(NC(=O)c2ccc(O)cn2)[n-]c1C#N	ZINC001163743306	820308793	/nfs/dbraw/zinc/30/87/93/820308793.db2.gz	HLBZHNBBTUVDFH-UHFFFAOYSA-N	-1	0	254.209	0.506	20	30		CCEDRM
C=CCN(CC(=O)[O-])C(=O)NCc1cnc2n1CCOC2	ZINC001120090275	821494998	/nfs/dbraw/zinc/49/49/98/821494998.db2.gz	FDBDVPPOZRKEGG-UHFFFAOYSA-N	-1	0	294.311	0.196	20	30		CCEDRM
C=C(C)C[N@H+]1CC[C@@H]1CN(C)C(=O)c1n[nH]c(=O)[n-]c1=O	ZINC001085699065	821908153	/nfs/dbraw/zinc/90/81/53/821908153.db2.gz	FGLIXCMRBOLNCY-SECBINFHSA-N	-1	0	293.327	0.005	20	30		CCEDRM
C[C@@H](CNc1cnc(C#N)cn1)NC(=O)c1cnc[nH]c1=O	ZINC001108586925	836481401	/nfs/dbraw/zinc/48/14/01/836481401.db2.gz	GSGAAGWVBSGJFK-QMMMGPOBSA-N	-1	0	299.294	0.074	20	30		CCEDRM
CCNC(=O)CN(C)C(=O)CCC(=O)C1=CC=C[CH]1	ZINC001184241915	844186082	/nfs/dbraw/zinc/18/60/82/844186082.db2.gz	UJUSRCKHJMXLGA-UHFFFAOYSA-N	-1	0	263.317	0.631	20	30		CCEDRM
O=C(CCC(=O)N1[C@H]2COC[C@@H]1CC(=O)C2)C1=CC=C[CH]1	ZINC001184243007	844187751	/nfs/dbraw/zinc/18/77/51/844187751.db2.gz	AWPGUTIABFXBEK-BETUJISGSA-N	-1	0	288.323	0.995	20	30		CCEDRM
CS(=O)(=O)[C@H]1C[C@H](NC(=O)CCC(=O)C2=CC=C[CH]2)C1	ZINC001184243405	844187758	/nfs/dbraw/zinc/18/77/58/844187758.db2.gz	FLLVCTJZDPXNAG-HAQNSBGRSA-N	-1	0	296.368	0.728	20	30		CCEDRM
N#C[C@@H]1CN(C(=O)CCC(=O)C2=CC=C[CH]2)CCO1	ZINC001184243754	844187935	/nfs/dbraw/zinc/18/79/35/844187935.db2.gz	MOZHFFLZQDRKIK-GFCCVEGCSA-N	-1	0	259.285	0.787	20	30		CCEDRM
CCOC(=O)[C@@H](C#N)NC(=O)c1nc(SC)ncc1[O-]	ZINC001185188144	844356760	/nfs/dbraw/zinc/35/67/60/844356760.db2.gz	TWWGIWAWILMFLF-ZCFIWIBFSA-N	-1	0	296.308	0.089	20	30		CCEDRM
Cc1n[nH]c(C(=O)N[C@H](C)C[C@@H](C)NCC#N)c1[O-]	ZINC001134094862	838864442	/nfs/dbraw/zinc/86/44/42/838864442.db2.gz	MFMBNYMOHFWRLL-HTQZYQBOSA-N	-1	0	265.317	0.434	20	30		CCEDRM
CCOCCS(=O)(=O)[N-]c1cccc(C#N)n1	ZINC001187245972	844679194	/nfs/dbraw/zinc/67/91/94/844679194.db2.gz	IPIWKFXMVIMHEE-UHFFFAOYSA-N	-1	0	255.299	0.731	20	30		CCEDRM
C#Cc1cccc(N(C)C(=O)CCc2nnn[n-]2)c1	ZINC001136643357	839690678	/nfs/dbraw/zinc/69/06/78/839690678.db2.gz	HVEJNAICGGXXCP-UHFFFAOYSA-N	-1	0	255.281	0.777	20	30		CCEDRM
C[C@H](CCNC(=O)c1cc(C#N)cn1C)NC(=O)[O-]	ZINC000824803963	839817268	/nfs/dbraw/zinc/81/72/68/839817268.db2.gz	UTDBYIAKXSHZAI-MRVPVSSYSA-N	-1	0	264.285	0.673	20	30		CCEDRM
N#Cc1nc(N)c(NC(=O)c2ccc([O-])c(F)c2)nc1C#N	ZINC001186208943	844526626	/nfs/dbraw/zinc/52/66/26/844526626.db2.gz	LPCNDCHEAUYVQV-UHFFFAOYSA-N	-1	0	298.237	0.899	20	30		CCEDRM
C#Cc1cnc([N-]S(=O)(=O)c2ccco2)c(C#C)n1	ZINC001186820239	844604482	/nfs/dbraw/zinc/60/44/82/844604482.db2.gz	MTFWEZANIMMPIZ-UHFFFAOYSA-N	-1	0	273.273	0.833	20	30		CCEDRM
C#CC[C@H](COC)NS(=O)(=O)c1ccccc1[O-]	ZINC000716332292	841647467	/nfs/dbraw/zinc/64/74/67/841647467.db2.gz	FWEGDRNNKHDMCN-SNVBAGLBSA-N	-1	0	269.322	0.709	20	30		CCEDRM
COc1cc(N=C(NO)c2nonc2N)ccc1C(=O)[O-]	ZINC001174681393	842199634	/nfs/dbraw/zinc/19/96/34/842199634.db2.gz	RDCFEATZOQYWII-UHFFFAOYSA-N	-1	0	293.239	0.416	20	30		CCEDRM
COc1ccc(C#N)cc1NC(=O)Cn1nn[n-]c1=S	ZINC001177740841	842665234	/nfs/dbraw/zinc/66/52/34/842665234.db2.gz	HCMILMSKLNCKCY-UHFFFAOYSA-N	-1	0	290.308	0.481	20	30		CCEDRM
N#C[C@@H](Cc1cccs1)C(=O)N[C@H]1SC(=O)[N-]C1=O	ZINC001177916265	842708230	/nfs/dbraw/zinc/70/82/30/842708230.db2.gz	FODZKAOEZREDJL-LDWIPMOCSA-N	-1	0	295.345	0.856	20	30		CCEDRM
O=C(C#Cc1ccc(F)cc1F)NCS(=O)(=O)[O-]	ZINC001178573251	842882909	/nfs/dbraw/zinc/88/29/09/842882909.db2.gz	CWEBEJJXBDVJFH-UHFFFAOYSA-N	-1	0	275.232	0.278	20	30		CCEDRM
N#Cc1n[nH]cc1NC(=O)c1ccccc1S(=O)(=O)[O-]	ZINC001189679422	845186144	/nfs/dbraw/zinc/18/61/44/845186144.db2.gz	PQDUOSLTHYOEJY-UHFFFAOYSA-N	-1	0	292.276	0.780	20	30		CCEDRM
N#C[C@H]1COCCN1C(=O)c1ccccc1S(=O)(=O)[O-]	ZINC001189689846	845192264	/nfs/dbraw/zinc/19/22/64/845192264.db2.gz	MPDWTFBHFPZOBE-VIFPVBQESA-N	-1	0	296.304	0.298	20	30		CCEDRM
N#CC1CC([N-]S(=O)(=O)c2ncc(F)cc2F)C1	ZINC001190214295	845369294	/nfs/dbraw/zinc/36/92/94/845369294.db2.gz	QENMVMSNPRHHTF-UHFFFAOYSA-N	-1	0	273.264	0.940	20	30		CCEDRM
Cc1nc(C#N)cnc1[N-]S(=O)(=O)c1ccncc1	ZINC001190855383	845514148	/nfs/dbraw/zinc/51/41/48/845514148.db2.gz	GFEMWLUTYWRUEG-UHFFFAOYSA-N	-1	0	275.293	0.853	20	30		CCEDRM
C#Cc1nccnc1[N-]S(=O)(=O)c1ccncc1	ZINC001190854334	845522608	/nfs/dbraw/zinc/52/26/08/845522608.db2.gz	PGXOJZYZZIPSAH-UHFFFAOYSA-N	-1	0	260.278	0.654	20	30		CCEDRM
COC(=O)n1ncc(C#N)c1[N-]C(=O)c1noc(C)n1	ZINC001192003971	845767069	/nfs/dbraw/zinc/76/70/69/845767069.db2.gz	ANSOMUMFRDAJTC-UHFFFAOYSA-N	-1	0	276.212	0.313	20	30		CCEDRM
N#CCS(=O)(=O)[N-]c1cncc(N2CCCC2)c1	ZINC001192942786	845930277	/nfs/dbraw/zinc/93/02/77/845930277.db2.gz	BTXSMPNQQGHQJU-UHFFFAOYSA-N	-1	0	266.326	0.947	20	30		CCEDRM
N#CCS(=O)(=O)[N-]c1nnccc1C(F)(F)F	ZINC001192951703	845934068	/nfs/dbraw/zinc/93/40/68/845934068.db2.gz	OGIKHCNQQGJORZ-UHFFFAOYSA-N	-1	0	266.204	0.761	20	30		CCEDRM
Cc1cnc([N-]S(=O)(=O)CC#N)c(Br)n1	ZINC001192934635	845940897	/nfs/dbraw/zinc/94/08/97/845940897.db2.gz	BDTKZVULDQBPSP-UHFFFAOYSA-N	-1	0	291.130	0.813	20	30		CCEDRM
Cn1nc([N-]S(=O)(=O)CC#N)c2cccnc21	ZINC001192935495	845941587	/nfs/dbraw/zinc/94/15/87/845941587.db2.gz	UJVQPPBYSDURFT-UHFFFAOYSA-N	-1	0	251.271	0.234	20	30		CCEDRM
N#CCS(=O)(=O)[N-]c1nc(Cl)ccc1C#N	ZINC001192939243	845943228	/nfs/dbraw/zinc/94/32/28/845943228.db2.gz	MAIPPVOCWCNJDX-UHFFFAOYSA-N	-1	0	256.674	0.872	20	30		CCEDRM
Cc1csc([N-]S(=O)(=O)CC#N)c1C(N)=O	ZINC001192939717	845943711	/nfs/dbraw/zinc/94/37/11/845943711.db2.gz	WXDOTSUSBLQXHU-UHFFFAOYSA-N	-1	0	259.312	0.421	20	30		CCEDRM
COC(=O)c1occc1[N-]S(=O)(=O)[C@@H](C)C#N	ZINC001193105695	845978766	/nfs/dbraw/zinc/97/87/66/845978766.db2.gz	ZWJGKSYXVULBBX-LURJTMIESA-N	-1	0	258.255	0.720	20	30		CCEDRM
CC(=O)Nc1ccc([N-]S(=O)(=O)[C@H](C)C#N)cn1	ZINC001193105020	845979469	/nfs/dbraw/zinc/97/94/69/845979469.db2.gz	QFWWVCAGYZHBKR-SSDOTTSWSA-N	-1	0	268.298	0.694	20	30		CCEDRM
COC(=O)c1ncsc1[N-]S(=O)(=O)[C@@H](C)C#N	ZINC001193111935	845981633	/nfs/dbraw/zinc/98/16/33/845981633.db2.gz	MZASITSMITZFAP-YFKPBYRVSA-N	-1	0	275.311	0.583	20	30		CCEDRM
C[C@@H](C#N)S(=O)(=O)[N-]c1cccnc1-n1cccn1	ZINC001193095101	845992523	/nfs/dbraw/zinc/99/25/23/845992523.db2.gz	PPGDUALWVWXBSH-VIFPVBQESA-N	-1	0	277.309	0.921	20	30		CCEDRM
C[C@H](C#N)S(=O)(=O)[N-]c1ccccc1-n1cncn1	ZINC001193149987	846006988	/nfs/dbraw/zinc/00/69/88/846006988.db2.gz	UMKJAMQFBHPKSB-SECBINFHSA-N	-1	0	277.309	0.921	20	30		CCEDRM
C[C@@H](C#N)S(=O)(=O)[N-][C@@H]1Oc2ccc(CCO)cc2O1	ZINC001193192816	846013881	/nfs/dbraw/zinc/01/38/81/846013881.db2.gz	GDNXQKPVWQKFKM-QPUJVOFHSA-N	-1	0	298.320	0.108	20	30		CCEDRM
C#Cc1nccnc1[N-]S(=O)(=O)CC1CCC1	ZINC001193471367	846085840	/nfs/dbraw/zinc/08/58/40/846085840.db2.gz	OJQSOYMEYUSYGV-UHFFFAOYSA-N	-1	0	251.311	1.000	20	30		CCEDRM
CN(C(=O)c1ccc([O-])c(C#N)c1)c1nccnc1N	ZINC001193499437	846093748	/nfs/dbraw/zinc/09/37/48/846093748.db2.gz	RJWWOLHPYLHPKH-UHFFFAOYSA-N	-1	0	269.264	0.913	20	30		CCEDRM
CN1C[C@@H]2CN(C(=O)c3ccc([O-])c(C#N)c3)C[C@@H]2C1=O	ZINC001193505756	846100875	/nfs/dbraw/zinc/10/08/75/846100875.db2.gz	IATBLNBCJUFHSC-NEPJUHHUSA-N	-1	0	285.303	0.424	20	30		CCEDRM
N#Cc1cc(C(=O)N2CC[C@H](CO)[C@H](O)C2)ccc1[O-]	ZINC001193506404	846101526	/nfs/dbraw/zinc/10/15/26/846101526.db2.gz	MGQSHCFVPFRYTH-ZWNOBZJWSA-N	-1	0	276.292	0.079	20	30		CCEDRM
CC1(C)C(=O)NC[C@@H]1NC(=O)c1ccc([O-])c(C#N)c1	ZINC001193518692	846103639	/nfs/dbraw/zinc/10/36/39/846103639.db2.gz	FDSSGXJJXDHKAS-NSHDSACASA-N	-1	0	273.292	0.518	20	30		CCEDRM
Cn1ccnc1CNC(=O)c1cccc(C#N)c1[O-]	ZINC001193634697	846131858	/nfs/dbraw/zinc/13/18/58/846131858.db2.gz	GVNFQBJMVMSHMC-UHFFFAOYSA-N	-1	0	256.265	0.927	20	30		CCEDRM
CNC(=O)C1CCN(C(=O)c2cccc(C#N)c2[O-])CC1	ZINC001193634708	846131995	/nfs/dbraw/zinc/13/19/95/846131995.db2.gz	HPYULPOEXFTBHV-UHFFFAOYSA-N	-1	0	287.319	0.862	20	30		CCEDRM
Cn1ccnc1S(=O)(=O)[N-]c1c(C#N)cccc1C#N	ZINC001193598142	846136490	/nfs/dbraw/zinc/13/64/90/846136490.db2.gz	NNVNKPNHFNYZEU-UHFFFAOYSA-N	-1	0	287.304	0.964	20	30		CCEDRM
N#C[C@@H](NC(=O)c1c([O-])c(F)c(F)c(F)c1F)C(N)=O	ZINC001195311168	846501584	/nfs/dbraw/zinc/50/15/84/846501584.db2.gz	OMLWASZBGZVFFE-UWTATZPHSA-N	-1	0	291.160	0.056	20	30		CCEDRM
N#Cc1ccc(C(=O)N[C@@H](CO)C(F)(F)F)c([O-])c1	ZINC001195763832	846611608	/nfs/dbraw/zinc/61/16/08/846611608.db2.gz	DAKIGXXJWMEBPV-VIFPVBQESA-N	-1	0	274.198	0.917	20	30		CCEDRM
Cc1nnc(CNC(=O)c2ccc(C#N)cc2[O-])o1	ZINC001195768499	846615588	/nfs/dbraw/zinc/61/55/88/846615588.db2.gz	MEDWPYKJISJSNH-UHFFFAOYSA-N	-1	0	258.237	0.885	20	30		CCEDRM
CCOC(=O)CS(=O)(=O)[N-]c1ccc(C#N)s1	ZINC001195941914	846645657	/nfs/dbraw/zinc/64/56/57/846645657.db2.gz	KWFKNEBWFFZNKS-UHFFFAOYSA-N	-1	0	274.323	0.925	20	30		CCEDRM
C=C[C@H](O)CNc1ccc(S(=O)(=O)[N-]C(C)=O)cc1	ZINC001253566173	848299094	/nfs/dbraw/zinc/29/90/94/848299094.db2.gz	WGNWFBDSOWXYCC-NSHDSACASA-N	-1	0	284.337	0.470	20	30		CCEDRM
C=CCC1(O)CCN(S(=O)(=O)c2ncc[n-]2)CC1	ZINC000717889314	849202351	/nfs/dbraw/zinc/20/23/51/849202351.db2.gz	SFDISIZOUGTLPJ-UHFFFAOYSA-N	-1	0	271.342	0.501	20	30		CCEDRM
C=CCOC[C@H](CS(=O)(=O)[O-])OC[C@@H](C)C(=O)OC	ZINC001206559310	849798060	/nfs/dbraw/zinc/79/80/60/849798060.db2.gz	KRHJIEXGWFQYHH-NXEZZACHSA-N	-1	0	296.341	0.271	20	30		CCEDRM
CNC(=O)C(C#N)=C([O-])c1ccc(N)c([N+](=O)[O-])c1	ZINC000133373639	853837292	/nfs/dbraw/zinc/83/72/92/853837292.db2.gz	FGHAQNMEKTXZMC-ZETCQYMHSA-N	-1	0	262.225	0.245	20	30		CCEDRM
C=CCN(CC(=O)[O-])C(=O)N[C@@H]1C[C@@H](C)O[C@@H]1C	ZINC000394990702	854273630	/nfs/dbraw/zinc/27/36/30/854273630.db2.gz	DULYJLNJKBINFW-OPRDCNLKSA-N	-1	0	256.302	0.835	20	30		CCEDRM
CC1=CC(=O)C(=C([O-])C=Cc2cnnn2C)C(=O)O1	ZINC001116219149	855733334	/nfs/dbraw/zinc/73/33/34/855733334.db2.gz	CHZVEZNCYJTBLG-UFFNRZRYSA-N	-1	0	261.237	0.043	20	30		CCEDRM
N#Cc1ccsc1C(=O)NCc1nc(=O)o[n-]1	ZINC001116411517	855762512	/nfs/dbraw/zinc/76/25/12/855762512.db2.gz	HDNZAQOPEYHJLD-UHFFFAOYSA-N	-1	0	250.239	0.226	20	30		CCEDRM
C=CC[C@H](NC(=O)CN(C)C(=O)OC(C)(C)C)C(=O)[O-]	ZINC001116922190	855868618	/nfs/dbraw/zinc/86/86/18/855868618.db2.gz	OKJHYLAVAZOMSA-VIFPVBQESA-N	-1	0	286.328	0.999	20	30		CCEDRM
C[C@H]1CC(=NN2CC(=O)N(C)C2=O)CC[C@@H]1C(=O)[O-]	ZINC001117704659	856052664	/nfs/dbraw/zinc/05/26/64/856052664.db2.gz	ZRGZYHGOIQQXDH-CBAPKCEASA-N	-1	0	267.285	0.757	20	30		CCEDRM
C=CCCn1cc(C(=O)[N-]S(=O)(=O)C(F)F)nn1	ZINC001118160148	856181536	/nfs/dbraw/zinc/18/15/36/856181536.db2.gz	YWVDULLPDYVXFX-UHFFFAOYSA-N	-1	0	280.256	0.136	20	30		CCEDRM
N#CCCCCC(=O)[N-]S(=O)(=O)CCCC#N	ZINC001118378775	856279985	/nfs/dbraw/zinc/27/99/85/856279985.db2.gz	HZYPMYXDJXSWPF-UHFFFAOYSA-N	-1	0	257.315	0.820	20	30		CCEDRM
C=CC[C@H](NC(=O)[C@]1(C#N)CCCOC1)C(=O)[O-]	ZINC001119618449	856780684	/nfs/dbraw/zinc/78/06/84/856780684.db2.gz	KSLRXEPSYXBMOJ-CABZTGNLSA-N	-1	0	252.270	0.452	20	30		CCEDRM
N#Cc1ccc(NC(=O)C(=O)[N-]O[C@@H]2CCCCO2)nc1	ZINC001324288000	912762626	/nfs/dbraw/zinc/76/26/26/912762626.db2.gz	CZKNAEGYGJGSME-LLVKDONJSA-N	-1	0	290.279	0.466	20	30		CCEDRM
C#CC[C@H](NC(=O)C(=O)[N-]OCCOC)c1ccccc1	ZINC001324533236	912893729	/nfs/dbraw/zinc/89/37/29/912893729.db2.gz	RIZQOGICACMPOJ-ZDUSSCGKSA-N	-1	0	290.319	0.561	20	30		CCEDRM
C#CCSCCNC(=O)N[C@H]1C[C@@H](C(=O)[O-])C1	ZINC000693411126	891660182	/nfs/dbraw/zinc/66/01/82/891660182.db2.gz	RBMUPZXGTRPEFD-DTORHVGOSA-N	-1	0	256.327	0.515	20	30		CCEDRM
CN(CC#N)CCN(C)C(=O)c1ccc2oc(=O)nc-2[n-]1	ZINC001482642955	894441353	/nfs/dbraw/zinc/44/13/53/894441353.db2.gz	ZJWSHUHRDVDFEZ-UHFFFAOYSA-N	-1	0	289.295	0.456	20	30		CCEDRM
C=CC[C@H](NC(=O)Cc1ccn(CC)n1)C(=O)[O-]	ZINC001326791658	914177139	/nfs/dbraw/zinc/17/71/39/914177139.db2.gz	ZZCVRZNPUZKPLV-JTQLQIEISA-N	-1	0	251.286	0.591	20	30		CCEDRM
Cn1ccnc1C([O-])=C(C#N)C(=O)CCOCC(F)F	ZINC000791837673	899802125	/nfs/dbraw/zinc/80/21/25/899802125.db2.gz	TZBBOABPNBMVQR-QMMMGPOBSA-N	-1	0	285.250	0.983	20	30		CCEDRM
CSc1cc([N-]S(=O)(=O)[C@H](C)C#N)nn1C	ZINC001193106947	900031866	/nfs/dbraw/zinc/03/18/66/900031866.db2.gz	MCNHLIKVRVFNOK-ZCFIWIBFSA-N	-1	0	260.344	0.796	20	30		CCEDRM
CC(=O)Nc1cc([N-]S(=O)(=O)[C@@H](C)C#N)ccn1	ZINC001193107663	900033549	/nfs/dbraw/zinc/03/35/49/900033549.db2.gz	ZJBOIMVMQSCDKX-ZETCQYMHSA-N	-1	0	268.298	0.694	20	30		CCEDRM
Cc1nc2c(C)cc([N-]S(=O)(=O)[C@@H](C)C#N)cn2n1	ZINC001193107656	900033786	/nfs/dbraw/zinc/03/37/86/900033786.db2.gz	ZGWQEZIUNALPOE-QMMMGPOBSA-N	-1	0	279.325	1.000	20	30		CCEDRM
C=CCOC[C@H](CS(=O)(=O)[O-])OCC(C)(C)CO	ZINC001205795877	900059336	/nfs/dbraw/zinc/05/93/36/900059336.db2.gz	QXSNYRFZHNFRHU-SNVBAGLBSA-N	-1	0	282.358	0.481	20	30		CCEDRM
Cc1cc(C#N)c(=O)[n-]c1C(=O)Nc1nccn1C	ZINC001299418634	900984391	/nfs/dbraw/zinc/98/43/91/900984391.db2.gz	QKMOEVDMFIFOPF-UHFFFAOYSA-N	-1	0	257.253	0.953	20	30		CCEDRM
CC1(C)CCCN(C(=O)Cn2c(=O)[n-][nH]c2=O)[C@@H]1C#N	ZINC001412109035	901475613	/nfs/dbraw/zinc/47/56/13/901475613.db2.gz	LIUQQDSIQVGTLJ-MRVPVSSYSA-N	-1	0	279.300	0.230	20	30		CCEDRM
N#Cc1cn(CC(=O)N[C@@H]2CCC[C@@H]3C[C@@H]32)c(=O)[n-]c1=O	ZINC001412229914	901573988	/nfs/dbraw/zinc/57/39/88/901573988.db2.gz	QTFLJZCANXBLIB-DVVUODLYSA-N	-1	0	288.307	0.125	20	30		CCEDRM
CCO[C@H](C(=O)Nc1nc(C#N)c(C#N)[n-]1)[C@@H]1CCOC1	ZINC001412292673	901624658	/nfs/dbraw/zinc/62/46/58/901624658.db2.gz	OCFTTXRJCBYBMA-KCJUWKMLSA-N	-1	0	289.295	0.533	20	30		CCEDRM
C[C@H](C(=O)Nc1nc(C#N)c(C#N)[n-]1)[C@H]1CCC(=O)N1	ZINC001412291681	901624730	/nfs/dbraw/zinc/62/47/30/901624730.db2.gz	KUZLCIPAISXGLQ-NKWVEPMBSA-N	-1	0	272.268	0.006	20	30		CCEDRM
CC[C@H](NC(=O)Cn1cc(C#N)c(=O)[n-]c1=O)C1CC1	ZINC001412339751	901652245	/nfs/dbraw/zinc/65/22/45/901652245.db2.gz	JEMSSGKKECYUAD-JTQLQIEISA-N	-1	0	276.296	0.125	20	30		CCEDRM
Cc1cc(C#N)c(=O)[n-]c1C(=O)N1CCN(C)[C@H](C)C1	ZINC001412531527	901795712	/nfs/dbraw/zinc/79/57/12/901795712.db2.gz	IFMJWRQTIFDMPA-SNVBAGLBSA-N	-1	0	274.324	0.743	20	30		CCEDRM
CC[C@H](C)[C@H](C)NC(=O)CCn1cc(C#N)c(=O)[n-]c1=O	ZINC001412577008	901837862	/nfs/dbraw/zinc/83/78/62/901837862.db2.gz	NYUVSWJHRCYCPE-UWVGGRQHSA-N	-1	0	292.339	0.761	20	30		CCEDRM
CCCC[C@H](C)C(=O)NCCn1cc(C#N)c(=O)[n-]c1=O	ZINC001413306680	902858356	/nfs/dbraw/zinc/85/83/56/902858356.db2.gz	GNDDRUQHAXDRKA-JTQLQIEISA-N	-1	0	292.339	0.763	20	30		CCEDRM
CCN(C(=O)c1cccc(-n2[n-]nnc2=N)c1)[C@@H](C)C#N	ZINC001413322651	902869911	/nfs/dbraw/zinc/86/99/11/902869911.db2.gz	QWTAIOCSWQTITA-VIFPVBQESA-N	-1	0	285.311	0.449	20	30		CCEDRM
N#Cc1c(N)nn(-c2cc(F)c(C(=O)[O-])c(F)c2)c1N	ZINC001203321493	903776727	/nfs/dbraw/zinc/77/67/27/903776727.db2.gz	FGEBDYPLJAFOSR-UHFFFAOYSA-N	-1	0	279.206	0.885	20	30		CCEDRM
N#CCN(CC#N)C(=O)c1nc[n-]c(=O)c1Br	ZINC001292650171	906315767	/nfs/dbraw/zinc/31/57/67/906315767.db2.gz	HWKVGUXBZZUGTK-UHFFFAOYSA-N	-1	0	296.084	0.434	20	30		CCEDRM
C[C@@H]1CCCC[C@@H]1Nc1[n-]c(=O)n(C)c(=O)c1C#N	ZINC001337760413	921291510	/nfs/dbraw/zinc/29/15/10/921291510.db2.gz	UJHFNEWPMNVCHT-SCZZXKLOSA-N	-1	0	262.313	0.936	20	30		CCEDRM
N#C[C@@H](NC(=O)CCCc1nnn[n-]1)C1CCCC1	ZINC001303059737	908059420	/nfs/dbraw/zinc/05/94/20/908059420.db2.gz	BKHIEJXIKIEUEH-SNVBAGLBSA-N	-1	0	262.317	0.721	20	30		CCEDRM
C#CCN(C)c1nnc(-c2c[n-]n(CC)c2=O)n1C	ZINC001338489394	908215087	/nfs/dbraw/zinc/21/50/87/908215087.db2.gz	XHGFJAVGPRWRQC-UHFFFAOYSA-N	-1	0	260.301	0.474	20	30		CCEDRM
N#Cc1c[n-]c(=O)n(Cc2nc3ccccc3o2)c1=O	ZINC001307359883	908307370	/nfs/dbraw/zinc/30/73/70/908307370.db2.gz	XMEOADTYHLVJQN-UHFFFAOYSA-N	-1	0	268.232	0.598	20	30		CCEDRM
N#CCc1ccccc1C(=O)N1CCO[C@H](c2nnn[n-]2)C1	ZINC001417636270	921479991	/nfs/dbraw/zinc/47/99/91/921479991.db2.gz	VKBUDXAHMXGHBD-LBPRGKRZSA-N	-1	0	298.306	0.479	20	30		CCEDRM
C=CCS(=O)(=O)[N-]C(=O)c1ccc(C(=O)OC)o1	ZINC001319771256	910290393	/nfs/dbraw/zinc/29/03/93/910290393.db2.gz	LGPAERBPJWUJPV-UHFFFAOYSA-N	-1	0	273.266	0.312	20	30		CCEDRM
Cc1nnc([S-])n(N=Cc2cccc(C(N)=O)c2)c1=O	ZINC001320193825	910508080	/nfs/dbraw/zinc/50/80/80/910508080.db2.gz	NPRQMLOUSSCGGJ-UHFFFAOYSA-N	-1	0	289.320	0.217	20	30		CCEDRM
C=CC[C@H](NC(=O)c1cccc([N+](=O)[O-])c1N)C(=O)[O-]	ZINC001321338975	911241372	/nfs/dbraw/zinc/24/13/72/911241372.db2.gz	MQCPBDDTIGGZBZ-QMMMGPOBSA-N	-1	0	279.252	0.936	20	30		CCEDRM
CC[C@H](CC#N)NC(=O)c1c[n-]n2c1nccc2=O	ZINC001321827098	911513345	/nfs/dbraw/zinc/51/33/45/911513345.db2.gz	VVTIUFMHRLANKH-MRVPVSSYSA-N	-1	0	259.269	0.445	20	30		CCEDRM
CCn1ncc(Cl)c1C([O-])=C(C#N)C(=O)NC	ZINC001346121890	924078588	/nfs/dbraw/zinc/07/85/88/924078588.db2.gz	NDWBUWPNVDERFR-LURJTMIESA-N	-1	0	254.677	0.625	20	30		CCEDRM
C=CCCC(=O)N1CCC(C(=O)[O-])([S@](C)=O)CC1	ZINC001339539458	921754682	/nfs/dbraw/zinc/75/46/82/921754682.db2.gz	MLDZYGCIUGQZGP-SFHVURJKSA-N	-1	0	273.354	0.777	20	30		CCEDRM
Cn1c(=O)[n-]c(NCCOC(C)(C)C)c(C#N)c1=O	ZINC001339560041	921758726	/nfs/dbraw/zinc/75/87/26/921758726.db2.gz	QJASPERIZCSZEY-UHFFFAOYSA-N	-1	0	266.301	0.172	20	30		CCEDRM
C=CC[C@@H](NC(=O)N[C@@H](C)c1ccnn1C)C(=O)[O-]	ZINC001329686390	916126663	/nfs/dbraw/zinc/12/66/63/916126663.db2.gz	UWUFDQPVSKICQW-DTWKUNHWSA-N	-1	0	266.301	0.810	20	30		CCEDRM
C=C[C@H](CO)NC(=O)c1cc(C#N)c(SC)[n-]c1=O	ZINC001331281509	917238052	/nfs/dbraw/zinc/23/80/52/917238052.db2.gz	VWGOZRXCXMNJGB-MRVPVSSYSA-N	-1	0	279.321	0.657	20	30		CCEDRM
CC#CCS(=O)(=O)[N-]C(=O)CCc1cc(OC)no1	ZINC001331924836	917722242	/nfs/dbraw/zinc/72/22/42/917722242.db2.gz	MARCHTKXSKWRAK-UHFFFAOYSA-N	-1	0	286.309	0.085	20	30		CCEDRM
C=CCN(CC(=O)[O-])Cc1cnc(N(C)C)n1C	ZINC001331948424	917745228	/nfs/dbraw/zinc/74/52/28/917745228.db2.gz	CEGHJMFKMZQOJO-UHFFFAOYSA-N	-1	0	252.318	0.559	20	30		CCEDRM
C=CCCC[C@H](NC(=O)CO[C@@H]1CCOC1)C(=O)[O-]	ZINC001332164430	917924652	/nfs/dbraw/zinc/92/46/52/917924652.db2.gz	BBYAENIWDYYRQE-MNOVXSKESA-N	-1	0	271.313	0.718	20	30		CCEDRM
C=CC(C)(C)CC(=O)[N-]S(=O)(=O)c1ccnn1C	ZINC001332580475	918289434	/nfs/dbraw/zinc/28/94/34/918289434.db2.gz	VRPKDLXFALCSBB-UHFFFAOYSA-N	-1	0	271.342	0.827	20	30		CCEDRM
C=CC[C@H](NC(=O)NC[C@@H](OC)[C@H]1CCOC1)C(=O)[O-]	ZINC001333146077	918685123	/nfs/dbraw/zinc/68/51/23/918685123.db2.gz	UHHMMESTKQMAHJ-GARJFASQSA-N	-1	0	286.328	0.366	20	30		CCEDRM
C=CCO[C@@H]1CCN(C(=O)[C@H]2C[C@@H](C)[C@H](C(=O)[O-])O2)C1	ZINC001335429377	920189353	/nfs/dbraw/zinc/18/93/53/920189353.db2.gz	BMBHYNFLINWSRF-DDHJBXDOSA-N	-1	0	283.324	0.668	20	30		CCEDRM
COC(=O)c1cc(S(=O)(=O)N2CCC[C@@H](C#N)C2)n[nH]1	ZINC001414329982	920287493	/nfs/dbraw/zinc/28/74/93/920287493.db2.gz	GWQKZZHATSFJFY-QMMMGPOBSA-N	-1	0	298.324	0.121	20	30		CCEDRM
Cn1c(=O)[n-]c(N[C@@H]2C[C@@H]3CCC[C@@H]23)c(C#N)c1=O	ZINC001336741192	920972833	/nfs/dbraw/zinc/97/28/33/920972833.db2.gz	XEGACPKXSVRKKE-QXFUBDJGSA-N	-1	0	260.297	0.546	20	30		CCEDRM
N#Cc1nc(NC(=O)[C@H]2CCCN2C2CC2)[n-]c1C#N	ZINC001418236710	921947584	/nfs/dbraw/zinc/94/75/84/921947584.db2.gz	LSWBUWIYJCTQHS-LLVKDONJSA-N	-1	0	270.296	0.718	20	30		CCEDRM
CSc1[n-]c(=O)c(C(=O)Nn2cccn2)cc1C#N	ZINC001418446198	922121505	/nfs/dbraw/zinc/12/15/05/922121505.db2.gz	UKUDDJGWAOWQKL-UHFFFAOYSA-N	-1	0	275.293	0.961	20	30		CCEDRM
COCCCNC(=O)C(C#N)=C([O-])c1ccc(C#N)[nH]1	ZINC001341800802	922680753	/nfs/dbraw/zinc/68/07/53/922680753.db2.gz	AGGUKYIRVXGOSO-SNVBAGLBSA-N	-1	0	274.280	0.362	20	30		CCEDRM
C[C@@H](NC(=O)CCc1nnn[n-]1)c1cccc(C#N)c1	ZINC001419628573	922954934	/nfs/dbraw/zinc/95/49/34/922954934.db2.gz	OPEGCVZZUQUEQN-SECBINFHSA-N	-1	0	270.296	0.881	20	30		CCEDRM
CNC(=O)C(C#N)=C([O-])c1ccc(C(=O)OC)o1	ZINC001342579213	923010154	/nfs/dbraw/zinc/01/01/54/923010154.db2.gz	KOCGPLDQRKZICU-LURJTMIESA-N	-1	0	250.210	0.135	20	30		CCEDRM
C=C[C@@H]1OCC[C@H]1CNC(=O)NC[C@@H](CC)C(=O)[O-]	ZINC001343056409	923185069	/nfs/dbraw/zinc/18/50/69/923185069.db2.gz	SVTOYLUEXAMIAN-VWYCJHECSA-N	-1	0	270.329	0.988	20	30		CCEDRM
CNC(=O)C(C#N)=C([O-])c1ccc2[nH]c(=O)oc2c1	ZINC001343293239	923260082	/nfs/dbraw/zinc/26/00/82/923260082.db2.gz	ULEALSKGRLNHCR-SSDOTTSWSA-N	-1	0	259.221	0.602	20	30		CCEDRM
Cn1nnc2c1nccc2C([O-])=C(C#N)c1ccncn1	ZINC001343368161	923285743	/nfs/dbraw/zinc/28/57/43/923285743.db2.gz	RPRYQFNIMHFCEA-SECBINFHSA-N	-1	0	279.263	0.643	20	30		CCEDRM
N#CC(C(=O)NC1CC1)=C([O-])c1ccnn1CC(F)F	ZINC001343470618	923336564	/nfs/dbraw/zinc/33/65/64/923336564.db2.gz	OZNLTRSLUOPQTN-MRVPVSSYSA-N	-1	0	282.250	0.749	20	30		CCEDRM
C=CCNC(=O)C(C#N)=C([O-])c1cc2n(n1)CCCC2	ZINC001343510161	923358300	/nfs/dbraw/zinc/35/83/00/923358300.db2.gz	OMRLCMDWNPNDLH-NSHDSACASA-N	-1	0	272.308	0.844	20	30		CCEDRM
C#CCO[C@@H](C)C(=O)N1CCc2ccc(C(=O)[O-])nc2C1	ZINC001344544509	923632678	/nfs/dbraw/zinc/63/26/78/923632678.db2.gz	VISMQCAVESYETP-JTQLQIEISA-N	-1	0	288.303	0.703	20	30		CCEDRM
C=C(C)CCC(=O)N1CCC[C@H]1C(=O)NCC(=O)[O-]	ZINC001345132189	923801567	/nfs/dbraw/zinc/80/15/67/923801567.db2.gz	DFHWQOCRVPRGIJ-JTQLQIEISA-N	-1	0	268.313	0.535	20	30		CCEDRM
C=CCN(c1nnc(-c2nn[nH]n2)n1CCOC)C1CC1	ZINC001345764319	923968432	/nfs/dbraw/zinc/96/84/32/923968432.db2.gz	OYPOBWGQYRZSBD-UHFFFAOYSA-N	-1	0	290.331	0.259	20	30		CCEDRM
C#CC[C@@H](NC(=O)c1cnn(CCC)c1C)C(=O)[O-]	ZINC001345780084	923974125	/nfs/dbraw/zinc/97/41/25/923974125.db2.gz	JOHRXRBHVZLHQV-LLVKDONJSA-N	-1	0	263.297	0.808	20	30		CCEDRM
C=CCN(CC1(CC(=O)[O-])CC1)[C@H]1CCS(=O)(=O)C1	ZINC001346241509	924128525	/nfs/dbraw/zinc/12/85/25/924128525.db2.gz	LIXGXNVCTYPZLE-NSHDSACASA-N	-1	0	287.381	0.916	20	30		CCEDRM
Cc1nnc([S-])n(N=Cc2cn(C3CCC3)nn2)c1=O	ZINC001347206876	924398583	/nfs/dbraw/zinc/39/85/83/924398583.db2.gz	IFNNHRDPWWVACH-UHFFFAOYSA-N	-1	0	291.340	0.434	20	30		CCEDRM
Cn1ccnc1C(=O)C(C#N)=C([O-])c1cn2c(n1)COCC2	ZINC001347246457	924407164	/nfs/dbraw/zinc/40/71/64/924407164.db2.gz	SEEHPGZVQNASEQ-SECBINFHSA-N	-1	0	299.290	0.352	20	30		CCEDRM
C=CCCn1cc(C(=O)N2CC[C@H]([C@@H](F)C(=O)[O-])C2)nn1	ZINC001347563274	924480364	/nfs/dbraw/zinc/48/03/64/924480364.db2.gz	PHIBBFYMVRAYOP-GXSJLCMTSA-N	-1	0	296.302	0.739	20	30		CCEDRM
C#C[C@@H](CCC)[N-]S(=O)(=O)c1nn(C)cc1[N+](=O)[O-]	ZINC001348135345	924601798	/nfs/dbraw/zinc/60/17/98/924601798.db2.gz	GBCVATPWAHSIIE-QMMMGPOBSA-N	-1	0	286.313	0.409	20	30		CCEDRM
N#CC1(CC(=O)N2CC[C@@H](C(=O)[O-])C2)CCOCC1	ZINC001350353563	925178377	/nfs/dbraw/zinc/17/83/77/925178377.db2.gz	IAYIJDWZUKKDLP-SNVBAGLBSA-N	-1	0	266.297	0.630	20	30		CCEDRM
CC(C)Cn1[n-]c(CC(=O)NCCC#N)cc1=O	ZINC001351780976	925469567	/nfs/dbraw/zinc/46/95/67/925469567.db2.gz	HUIQWQGJMCQHAR-UHFFFAOYSA-N	-1	0	250.302	0.405	20	30		CCEDRM
C#C[C@H]1CC[C@H](NC(=O)C(=O)[N-]OCCOCC)CC1	ZINC001352814710	925648502	/nfs/dbraw/zinc/64/85/02/925648502.db2.gz	NMKAHYWYKGIRGM-HAQNSBGRSA-N	-1	0	282.340	0.379	20	30		CCEDRM
C=C(C)C[C@@H](CO)NC(=O)N[C@H]1C[C@@H](C(=O)[O-])C1	ZINC001353126414	925736476	/nfs/dbraw/zinc/73/64/76/925736476.db2.gz	IPIWBQMJGAGWNA-AEJSXWLSSA-N	-1	0	256.302	0.476	20	30		CCEDRM
CCCCOCCCNc1[n-]c(=O)n(C)c(=O)c1C#N	ZINC001354053493	925998589	/nfs/dbraw/zinc/99/85/89/925998589.db2.gz	PMHHTAGYRFBOCC-UHFFFAOYSA-N	-1	0	280.328	0.564	20	30		CCEDRM
Cn1ccnc1C([O-])=C(C#N)C(=O)[C@H]1C[C@H]2CC(=O)[C@@H]1C2	ZINC001358045328	926625516	/nfs/dbraw/zinc/62/55/16/926625516.db2.gz	IYAUVAYPLRAOPM-VLEAKVRGSA-N	-1	0	285.303	0.927	20	30		CCEDRM
N#Cc1c[n-]n2c1nc(CN1CCOCC3(CC3)C1)cc2=O	ZINC001421687932	926854502	/nfs/dbraw/zinc/85/45/02/926854502.db2.gz	DFPWJRRWOLTIDI-UHFFFAOYSA-N	-1	0	299.334	0.919	20	30		CCEDRM
C#CC[C@@H](NC(=O)CNC(=O)c1ccc(C)s1)C(=O)[O-]	ZINC000149815273	926943311	/nfs/dbraw/zinc/94/33/11/926943311.db2.gz	HWVJSIPSUMPREB-SECBINFHSA-N	-1	0	294.332	0.379	20	30		CCEDRM
CC1(NC(=O)Cn2cc(C#N)c(=O)[n-]c2=O)CCCCC1	ZINC001361892258	927427250	/nfs/dbraw/zinc/42/72/50/927427250.db2.gz	WDYDAHYMVKHURB-UHFFFAOYSA-N	-1	0	290.323	0.660	20	30		CCEDRM
CC(C)N(CCC#N)C(=O)c1cccc(-n2[n-]nnc2=N)c1	ZINC001361953259	927472253	/nfs/dbraw/zinc/47/22/53/927472253.db2.gz	OJGRECGMRRAQIJ-UHFFFAOYSA-N	-1	0	299.338	0.839	20	30		CCEDRM
C[C@H](NC(=O)Cn1cc(C#N)c(=O)[n-]c1=O)c1cccnc1	ZINC001361960662	927478369	/nfs/dbraw/zinc/47/83/69/927478369.db2.gz	HQFLCRPRMJOJLT-VIFPVBQESA-N	-1	0	299.290	0.093	20	30		CCEDRM
N#Cc1cn(CCC(=O)Nc2ccsc2)c(=O)[n-]c1=O	ZINC001362258361	927790079	/nfs/dbraw/zinc/79/00/79/927790079.db2.gz	UHQZAYXKWIWMCB-UHFFFAOYSA-N	-1	0	290.304	0.911	20	30		CCEDRM
CC1(C#N)CN(C(=O)c2ccc(-n3[nH]c(=O)[n-]c3=O)cc2)C1	ZINC001362481219	928075030	/nfs/dbraw/zinc/07/50/30/928075030.db2.gz	DDKVOXMYISIGKA-UHFFFAOYSA-N	-1	0	299.290	0.252	20	30		CCEDRM
Cc1cc(C#N)c(=O)[n-]c1C(=O)N[C@@H](C)c1ncn(C)n1	ZINC001362516359	928123985	/nfs/dbraw/zinc/12/39/85/928123985.db2.gz	DFFUHJISNXWKEP-QMMMGPOBSA-N	-1	0	286.295	0.587	20	30		CCEDRM
Cc1cc(C#N)c(=O)[n-]c1C(=O)N[C@@H](CO)CC(F)F	ZINC001362566841	928186212	/nfs/dbraw/zinc/18/62/12/928186212.db2.gz	CXQRLKBVZNMAEF-MRVPVSSYSA-N	-1	0	285.250	0.713	20	30		CCEDRM
N#C[C@H]1CC[C@@H](NC(=O)CCCn2c(=O)[n-][nH]c2=O)C1	ZINC001362588813	928215611	/nfs/dbraw/zinc/21/56/11/928215611.db2.gz	RXCCYEMHKOLWAS-DTWKUNHWSA-N	-1	0	279.300	0.278	20	30		CCEDRM
Cc1cc(C#N)c(=O)[n-]c1C(=O)N1CC(=O)N(C2CC2)C1	ZINC001362620797	928265120	/nfs/dbraw/zinc/26/51/20/928265120.db2.gz	LRYZGDSLRHWOST-UHFFFAOYSA-N	-1	0	286.291	0.372	20	30		CCEDRM
COC(=O)C1(C#N)CCN(C(=O)c2n[nH]c(C)c2[O-])CC1	ZINC001362657433	928314520	/nfs/dbraw/zinc/31/45/20/928314520.db2.gz	YACLSBDCKWQCNR-UHFFFAOYSA-N	-1	0	292.295	0.343	20	30		CCEDRM
CCC(C)(C)[C@@H](C)NC(=O)Cn1cc(C#N)c(=O)[n-]c1=O	ZINC001362667373	928329136	/nfs/dbraw/zinc/32/91/36/928329136.db2.gz	RTBIULNOEBTBCT-SECBINFHSA-N	-1	0	292.339	0.761	20	30		CCEDRM
N#Cc1ccsc1C(=O)N1CCOC[C@@H]1c1nnn[n-]1	ZINC001362760406	928453777	/nfs/dbraw/zinc/45/37/77/928453777.db2.gz	KFHYNXRYAUFWBC-MRVPVSSYSA-N	-1	0	290.308	0.347	20	30		CCEDRM
Cc1cc(C#N)c(=O)[n-]c1C(=O)N[C@H](CO)CC1CC1	ZINC001362835763	928552271	/nfs/dbraw/zinc/55/22/71/928552271.db2.gz	GJEIYXBPDGRCKK-NSHDSACASA-N	-1	0	275.308	0.858	20	30		CCEDRM
C[C@@H](NC(=O)c1n[nH]c(=O)[n-]c1=O)c1cccc(C#N)c1	ZINC001362951666	928689978	/nfs/dbraw/zinc/68/99/78/928689978.db2.gz	GOUWAWNWLDKEAE-SSDOTTSWSA-N	-1	0	285.263	0.645	20	30		CCEDRM
Cc1ccc(C#N)cc1C(=O)NCCc1nc(=O)o[n-]1	ZINC001363087828	928854726	/nfs/dbraw/zinc/85/47/26/928854726.db2.gz	CYSAELIBXVXWHD-UHFFFAOYSA-N	-1	0	272.264	0.516	20	30		CCEDRM
C[C@H](Nc1[n-]c(=O)n(C)c(=O)c1C#N)c1cncc(F)c1	ZINC001363155427	928927806	/nfs/dbraw/zinc/92/78/06/928927806.db2.gz	NIBLQFUXNITKJQ-ZETCQYMHSA-N	-1	0	289.270	0.652	20	30		CCEDRM
Cc1ccccc1NC(=O)Cn1c(=O)[n-]cc(C#N)c1=O	ZINC001363183849	928953858	/nfs/dbraw/zinc/95/38/58/928953858.db2.gz	GTCVRSOEYVCDBK-UHFFFAOYSA-N	-1	0	284.275	0.355	20	30		CCEDRM
N#Cc1cnc(Cn2[n-]c(=O)c(Cl)c(Cl)c2=O)nc1	ZINC001363190416	928961101	/nfs/dbraw/zinc/96/11/01/928961101.db2.gz	IZUIXCDGDUYDKH-UHFFFAOYSA-N	-1	0	298.089	0.966	20	30		CCEDRM
N#Cc1c[n-]n2c1nc(CN1CCOC[C@@H]1C#N)cc2=O	ZINC001363196699	928966466	/nfs/dbraw/zinc/96/64/66/928966466.db2.gz	JWCHYXBVBYUKLA-NSHDSACASA-N	-1	0	284.279	0.031	20	30		CCEDRM
CC[C@H](C)[C@H](NC(C)=O)C(=O)Nc1nc(C#N)c(C#N)[n-]1	ZINC001363467466	929270605	/nfs/dbraw/zinc/27/06/05/929270605.db2.gz	VBNUIDLPFGUCDB-CPCISQLKSA-N	-1	0	288.311	0.642	20	30		CCEDRM
N#CC[C@H](NC(=O)c1c[n-]n2c1nccc2=O)C(F)(F)F	ZINC001363530649	929331088	/nfs/dbraw/zinc/33/10/88/929331088.db2.gz	MUVBWHLDGMNQSH-ZETCQYMHSA-N	-1	0	299.212	0.597	20	30		CCEDRM
CC[C@@H](CC#N)NC(=O)CCn1cc(C#N)c(=O)[n-]c1=O	ZINC001447360784	930617258	/nfs/dbraw/zinc/61/72/58/930617258.db2.gz	PTQPZENKFRCULR-JTQLQIEISA-N	-1	0	289.295	0.019	20	30		CCEDRM
N#Cc1cccc(C(=O)NCCc2n[n-]c(=S)o2)n1	ZINC001448079365	930810412	/nfs/dbraw/zinc/81/04/12/930810412.db2.gz	TUIICEJNUNRJQA-UHFFFAOYSA-N	-1	0	275.293	0.597	20	30		CCEDRM
C=CCO[N-]C(=O)CNC(=O)c1ccc(F)cc1F	ZINC001449659170	931175226	/nfs/dbraw/zinc/17/52/26/931175226.db2.gz	VTZIPDKBYCKCTP-UHFFFAOYSA-N	-1	0	270.235	0.928	20	30		CCEDRM
N#Cc1cccc(OCC(=O)N2CCOC[C@@H]2C(=O)[O-])c1	ZINC001601121340	970937200	/nfs/dbraw/zinc/93/72/00/970937200.db2.gz	ITJGBYALESXASR-GFCCVEGCSA-N	-1	0	290.275	0.249	20	30		CCEDRM
Cc1onc(CC(=O)N2CC[C@@](C)(C(=O)[O-])C2)c1C#N	ZINC001611268236	970963024	/nfs/dbraw/zinc/96/30/24/970963024.db2.gz	KTBRBWOHQPRXTR-CYBMUJFWSA-N	-1	0	277.280	0.720	20	30		CCEDRM
O=C([O-])C1(C(=O)NCC#C[C@H]2CCCCO2)CC1	ZINC001601700328	971042675	/nfs/dbraw/zinc/04/26/75/971042675.db2.gz	PJDHNKXREBSORU-SNVBAGLBSA-N	-1	0	251.282	0.540	20	30		CCEDRM
O=C([O-])Cn1cccc1C=NNC1CCOCC1	ZINC001611519259	971093016	/nfs/dbraw/zinc/09/30/16/971093016.db2.gz	GPELZRHSOIBUPC-UHFFFAOYSA-N	-1	0	251.286	0.675	20	30		CCEDRM
C#C[C@](C)(CC)NC(=O)c1cccn(CC(=O)[O-])c1=O	ZINC001602673515	971240647	/nfs/dbraw/zinc/24/06/47/971240647.db2.gz	VVHRHSXAZCYMAD-CQSZACIVSA-N	-1	0	276.292	0.465	20	30		CCEDRM
C#CC[C@@H](CO)NC(=O)[C@]1(C(=O)[O-])CC=CCC1	ZINC001602675146	971245981	/nfs/dbraw/zinc/24/59/81/971245981.db2.gz	LIYZDBIKYJVMEF-GWCFXTLKSA-N	-1	0	251.282	0.298	20	30		CCEDRM
C#CC[C@H]1NC(=O)N(c2cccc(CC(=O)[O-])c2)C1=O	ZINC001602675380	971248848	/nfs/dbraw/zinc/24/88/48/971248848.db2.gz	SLJNGOCCMINIBL-LLVKDONJSA-N	-1	0	272.260	0.762	20	30		CCEDRM
C#CC1CCN(C(=O)c2cccn(CC(=O)[O-])c2=O)CC1	ZINC001602675455	971250083	/nfs/dbraw/zinc/25/00/83/971250083.db2.gz	WDLRDBADDPOALV-UHFFFAOYSA-N	-1	0	288.303	0.418	20	30		CCEDRM
C#CCN(CC(=O)[O-])C(=O)C1(C(=O)OCC)CCCC1	ZINC001602678802	971257308	/nfs/dbraw/zinc/25/73/08/971257308.db2.gz	GWDTVTLQEWXZCL-UHFFFAOYSA-N	-1	0	281.308	0.656	20	30		CCEDRM
C#CCN(CC(=O)[O-])C(=O)CCc1ccc(OC)nc1	ZINC001602683085	971272299	/nfs/dbraw/zinc/27/22/99/971272299.db2.gz	YGFDCYMCTWKLDI-UHFFFAOYSA-N	-1	0	276.292	0.569	20	30		CCEDRM
C#CCN(CC(=O)[O-])C(=O)Cc1ccnc(OC)c1	ZINC001602683809	971276466	/nfs/dbraw/zinc/27/64/66/971276466.db2.gz	KHMCNEUXPONCOL-UHFFFAOYSA-N	-1	0	262.265	0.179	20	30		CCEDRM
C#CCN(CC(=O)[O-])C(=O)Nc1cc(SC)ncn1	ZINC001602688761	971292493	/nfs/dbraw/zinc/29/24/93/971292493.db2.gz	VYACYUBFBUJWOH-UHFFFAOYSA-N	-1	0	280.309	0.750	20	30		CCEDRM
C#CCN(CC(=O)[O-])C(=O)c1cc(C(F)F)n(C)n1	ZINC001602691634	971296483	/nfs/dbraw/zinc/29/64/83/971296483.db2.gz	QECPPQDSJYHQAK-UHFFFAOYSA-N	-1	0	271.223	0.518	20	30		CCEDRM
C=C1CN(C(=O)c2ccc(-c3nn[nH]n3)c([O-])c2)C1	ZINC001573296006	947033696	/nfs/dbraw/zinc/03/36/96/947033696.db2.gz	JKCRVTPOLIAFER-UHFFFAOYSA-N	-1	0	257.253	0.584	20	30		CCEDRM
C#CCN(CC(=O)[O-])Cc1nnc(C)n1CCC	ZINC001602699245	971317072	/nfs/dbraw/zinc/31/70/72/971317072.db2.gz	PWGHTWMUPOQEIK-UHFFFAOYSA-N	-1	0	250.302	0.516	20	30		CCEDRM
C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@@H](C)[C@@H](C(=O)[O-])C1	ZINC001602701884	971327414	/nfs/dbraw/zinc/32/74/14/971327414.db2.gz	BOEYPBWULFMXBB-AGIUHOORSA-N	-1	0	278.352	0.653	20	30		CCEDRM
C=C(CO)C(=O)N[C@H](C)[C@@H]1C[C@H](C(=O)[O-])C1(C)C	ZINC001602712007	971353495	/nfs/dbraw/zinc/35/34/95/971353495.db2.gz	FOAZGPYZLRWBAL-KXUCPTDWSA-N	-1	0	255.314	0.787	20	30		CCEDRM
C=C[C@H](C)ONC(=O)N1CC[C@@](COC)(C(=O)[O-])C1	ZINC001602717443	971367655	/nfs/dbraw/zinc/36/76/55/971367655.db2.gz	MPZKPEFOPQRBIW-JOYOIKCWSA-N	-1	0	272.301	0.625	20	30		CCEDRM
C=CC[C@@H](OC(=O)C1(C(=O)[O-])CCC1)C(=O)OC	ZINC001602718188	971373098	/nfs/dbraw/zinc/37/30/98/971373098.db2.gz	GLCOMJBBARKSPK-MRVPVSSYSA-N	-1	0	256.254	0.902	20	30		CCEDRM
C=CC[C@@H](C)NC(=O)[C@H]1CCCN(CC(=O)[O-])C1=O	ZINC001602718167	971373494	/nfs/dbraw/zinc/37/34/94/971373494.db2.gz	FCZCRGXCISWLEV-NXEZZACHSA-N	-1	0	268.313	0.390	20	30		CCEDRM
C=CCC[C@@H]1NC(=O)N([C@H]2C[C@@H](C(=O)[O-])C2)C1=O	ZINC001602719095	971381952	/nfs/dbraw/zinc/38/19/52/971381952.db2.gz	PCHIVYDYLNTWJC-YIZRAAEISA-N	-1	0	252.270	0.736	20	30		CCEDRM
C=CCCn1cc(COC(=O)[C@H](C)C(=O)[O-])nn1	ZINC001602721951	971384937	/nfs/dbraw/zinc/38/49/37/971384937.db2.gz	JURGAMJPQJYYFW-MRVPVSSYSA-N	-1	0	253.258	0.618	20	30		CCEDRM
C=CCN(C)C(=O)C(=O)Nc1cncc(C(=O)[O-])c1	ZINC001602722840	971389852	/nfs/dbraw/zinc/38/98/52/971389852.db2.gz	UDJXLYYFIKAAPX-UHFFFAOYSA-N	-1	0	263.253	0.363	20	30		CCEDRM
C=CCN1CC[C@H](OC(=O)[C@](C)(C#N)CC(=O)[O-])C1=O	ZINC001602722980	971392114	/nfs/dbraw/zinc/39/21/14/971392114.db2.gz	DSRUDLQBPFZBFV-ZANVPECISA-N	-1	0	280.280	0.321	20	30		CCEDRM
C=CCN1CC[C@H](OC(=O)[C@H](C(=O)[O-])C(C)C)C1=O	ZINC001602723042	971392314	/nfs/dbraw/zinc/39/23/14/971392314.db2.gz	JIZMBMNAJYAYRZ-UWVGGRQHSA-N	-1	0	269.297	0.673	20	30		CCEDRM
C[C@@](C#N)(CC(=O)[O-])C(=O)N1CC[C@@]2(CCOC2=O)C1	ZINC001602778672	971512715	/nfs/dbraw/zinc/51/27/15/971512715.db2.gz	JYNJWSWUPCHPFM-QWHCGFSZSA-N	-1	0	280.280	0.157	20	30		CCEDRM
C[C@@](C#N)(CC(=O)[O-])C(=O)NCCCOC(F)F	ZINC001602780315	971518073	/nfs/dbraw/zinc/51/80/73/971518073.db2.gz	DXNQSLTYUGUDIV-JTQLQIEISA-N	-1	0	264.228	0.736	20	30		CCEDRM
C[C@@](C#N)(CC(=O)[O-])C(=O)NN1C[C@@H]2CCC[C@@H]2C1	ZINC001602781594	971525382	/nfs/dbraw/zinc/52/53/82/971525382.db2.gz	DBLMHKWZINPXTG-CWSCBRNRSA-N	-1	0	265.313	0.754	20	30		CCEDRM
C[C@@](C#N)(CC(=O)[O-])C(=O)NCc1nnc(C2CC2)[nH]1	ZINC001602781923	971526648	/nfs/dbraw/zinc/52/66/48/971526648.db2.gz	KIGDAVCVJYFJHW-LBPRGKRZSA-N	-1	0	277.284	0.303	20	30		CCEDRM
C[C@H](C#N)OCCOC(=O)c1ncccc1C(=O)[O-]	ZINC001602786576	971536613	/nfs/dbraw/zinc/53/66/13/971536613.db2.gz	YPLXENVZCKGVJT-MRVPVSSYSA-N	-1	0	264.237	0.865	20	30		CCEDRM
CCC[C@H](C#N)NC(=O)[C@@H]1CCCN(CC(=O)[O-])C1=O	ZINC001589630564	949529992	/nfs/dbraw/zinc/52/99/92/949529992.db2.gz	JEQQKPSGGMENSK-ZJUUUORDSA-N	-1	0	281.312	0.118	20	30		CCEDRM
O=C([O-])c1cccnc1N=NC1CCCS(=O)(=O)C1	ZINC001595261882	949675097	/nfs/dbraw/zinc/67/50/97/949675097.db2.gz	LFNZMLAUDVXROV-UHFFFAOYSA-N	-1	0	283.309	0.756	20	30		CCEDRM
C[C@@H](C(=O)[O-])C(=O)OC1(C#N)CN(C(=O)OC(C)(C)C)C1	ZINC001602811235	971602701	/nfs/dbraw/zinc/60/27/01/971602701.db2.gz	WBDGZLZQCWZCBD-QMMMGPOBSA-N	-1	0	298.295	0.763	20	30		CCEDRM
CCN(CCC#N)C(=O)COC(=O)[C@@H]1CC[C@H]1C(=O)[O-]	ZINC001589730458	950498939	/nfs/dbraw/zinc/49/89/39/950498939.db2.gz	ZWSQOLGJQTVDMU-NXEZZACHSA-N	-1	0	282.296	0.403	20	30		CCEDRM
CCOC(=O)[C@H](C)[C@@H](C)NC(=O)[C@](C)(C#N)CC(=O)[O-]	ZINC001590058590	950779098	/nfs/dbraw/zinc/77/90/98/950779098.db2.gz	PLAKPSGAXHYXJG-KKFJDGPESA-N	-1	0	284.312	0.695	20	30		CCEDRM
C=CC(C)(C)CNS(=O)(=O)N1CCC(C(=O)[O-])CC1	ZINC000384932828	951273869	/nfs/dbraw/zinc/27/38/69/951273869.db2.gz	IPVFINQRFHGMDP-UHFFFAOYSA-N	-1	0	290.385	0.830	20	30		CCEDRM
O=C([O-])[C@@H]1CC[C@H]1C(=O)NCC#C[C@@H]1CCCCO1	ZINC001595179663	952247553	/nfs/dbraw/zinc/24/75/53/952247553.db2.gz	HLWONGZMMTXRQQ-QJPTWQEYSA-N	-1	0	265.309	0.786	20	30		CCEDRM
C#CCSCCNC(=O)c1ccc(C(=O)[O-])[nH]1	ZINC000383591601	971879116	/nfs/dbraw/zinc/87/91/16/971879116.db2.gz	NXBWBQLKUYKOCD-UHFFFAOYSA-N	-1	0	252.295	0.809	20	30		CCEDRM
CCc1ccc(C#CC(=O)N2CCOC[C@H]2C(=O)[O-])cc1	ZINC001593633769	953596029	/nfs/dbraw/zinc/59/60/29/953596029.db2.gz	NRGWYMPHXWXBPZ-AWEZNQCLSA-N	-1	0	287.315	0.913	20	30		CCEDRM
C[C@@H](C(=O)N1C[C@@H](C(=O)[O-])CC[C@H]1C)n1cnc(C#N)n1	ZINC001589300619	953691695	/nfs/dbraw/zinc/69/16/95/953691695.db2.gz	YOTDWWPNBBKBMT-UTLUCORTSA-N	-1	0	291.311	0.422	20	30		CCEDRM
CN(C)C[C@@](C)(C#N)NC(=O)CCCCC(=O)[O-]	ZINC001593692033	954046369	/nfs/dbraw/zinc/04/63/69/954046369.db2.gz	MQVFURHURIEHGK-GFCCVEGCSA-N	-1	0	255.318	0.591	20	30		CCEDRM
C[C@@H]1CN(C(=O)[C@@](C)(C#N)CC(=O)[O-])CC[C@H]1O	ZINC001589366179	954197838	/nfs/dbraw/zinc/19/78/38/954197838.db2.gz	JZDBCMOBEFQICW-KBVBSXBZSA-N	-1	0	254.286	0.220	20	30		CCEDRM
C[C@H]1CN(C(=O)NCCCCC(=O)[O-])C[C@H](C)N1CC#N	ZINC001589376711	954264258	/nfs/dbraw/zinc/26/42/58/954264258.db2.gz	RZYDMQQDRCREFM-RYUDHWBXSA-N	-1	0	296.371	0.869	20	30		CCEDRM
CN(CN1C[C@H](C(=O)[O-])CC1=O)c1ccccc1C#N	ZINC001593756900	954460359	/nfs/dbraw/zinc/46/03/59/954460359.db2.gz	KNWPRBOTDBKOLD-LLVKDONJSA-N	-1	0	273.292	0.885	20	30		CCEDRM
CCC#C[C@@H](C)N1CCO[C@](COC)(C(=O)[O-])C1	ZINC001589420561	954597957	/nfs/dbraw/zinc/59/79/57/954597957.db2.gz	WKROZGZQQOMORQ-DGCLKSJQSA-N	-1	0	255.314	0.590	20	30		CCEDRM
COC(=O)C1(C#N)CCN(C(=O)[C@]2(C(=O)[O-])C[C@H]2C)CC1	ZINC001593812666	954961382	/nfs/dbraw/zinc/96/13/82/954961382.db2.gz	IBKLNWYYFSRJOH-OTYXRUKQSA-N	-1	0	294.307	0.403	20	30		CCEDRM
C[C@H](CC(=O)[O-])NC(=O)c1cccc(C#CCO)c1	ZINC001589002414	955340928	/nfs/dbraw/zinc/34/09/28/955340928.db2.gz	RCYQPHTUENHVFU-SNVBAGLBSA-N	-1	0	261.277	0.623	20	30		CCEDRM
Cn1c(C#N)ccc1C(=O)N[C@H](Cc1ccncc1)C(=O)[O-]	ZINC001594524383	955494067	/nfs/dbraw/zinc/49/40/67/955494067.db2.gz	NPDWOLBIOVBHHB-GFCCVEGCSA-N	-1	0	298.302	0.717	20	30		CCEDRM
CC(Cn1cncn1)N=Nc1ncccc1C(=O)[O-]	ZINC001589081337	955856607	/nfs/dbraw/zinc/85/66/07/955856607.db2.gz	DFBJFKXFPAKQER-UHFFFAOYSA-N	-1	0	260.257	0.859	20	30		CCEDRM
CO[C@@H](C(=O)[O-])C(=O)N1CCCC(C)(C)[C@@H]1C#N	ZINC001593904420	955894382	/nfs/dbraw/zinc/89/43/82/955894382.db2.gz	FWZYWHWMTYZAIH-DTWKUNHWSA-N	-1	0	254.286	0.627	20	30		CCEDRM
CO[C@H](C(=O)[O-])C(=O)OC[C@H]1CC[C@@H](C#N)CC1	ZINC001593920918	956075601	/nfs/dbraw/zinc/07/56/01/956075601.db2.gz	VKPLVDKMHURFGF-KXUCPTDWSA-N	-1	0	255.270	0.959	20	30		CCEDRM
Cn1nccc1[C@H](NCc1cccc(C#N)n1)C(=O)[O-]	ZINC001594594671	956075925	/nfs/dbraw/zinc/07/59/25/956075925.db2.gz	GTOYCLBUKLJBEH-LBPRGKRZSA-N	-1	0	271.280	0.602	20	30		CCEDRM
N#C[C@@]1(C(=O)OCC(=O)C(=O)[O-])CC12CCCC2	ZINC001594604375	956161677	/nfs/dbraw/zinc/16/16/77/956161677.db2.gz	RXPURRSXMUUTBL-GFCCVEGCSA-N	-1	0	251.238	0.657	20	30		CCEDRM
N#C[C@@H]1CN(C(=O)[C@H](C(=O)[O-])C2CCCC2)CCO1	ZINC001594606251	956180073	/nfs/dbraw/zinc/18/00/73/956180073.db2.gz	TWWSBBWNNJVKFO-GHMZBOCLSA-N	-1	0	266.297	0.628	20	30		CCEDRM
N#CCCN(Cc1ccco1)C(=O)[C@@H]1CC(C(=O)[O-])=NO1	ZINC001594609924	956195334	/nfs/dbraw/zinc/19/53/34/956195334.db2.gz	DVXAEOCTBJUIGJ-NSHDSACASA-N	-1	0	291.263	0.751	20	30		CCEDRM
N#Cc1ccc(CCNC(=O)[C@H]2CC(C(=O)[O-])=NO2)cc1	ZINC001594618233	956261664	/nfs/dbraw/zinc/26/16/64/956261664.db2.gz	JRHCVDNJRXMAPY-GFCCVEGCSA-N	-1	0	287.275	0.446	20	30		CCEDRM
C[C@](O)(CNC(=O)c1cccc(CC#N)c1)C(=O)[O-]	ZINC001589144553	956279569	/nfs/dbraw/zinc/27/95/69/956279569.db2.gz	OOYHJMDNXWOFGR-ZDUSSCGKSA-N	-1	0	262.265	0.318	20	30		CCEDRM
N#Cc1cnc(COC(=O)c2ncccc2C(=O)[O-])nc1	ZINC001594633902	956360609	/nfs/dbraw/zinc/36/06/09/956360609.db2.gz	YVNTYWIRFZNJKZ-UHFFFAOYSA-N	-1	0	284.231	0.798	20	30		CCEDRM
O=C([O-])[C@H](Cc1ccc(O)cc1)NC(=O)C#CC1CC1	ZINC001594668724	956601691	/nfs/dbraw/zinc/60/16/91/956601691.db2.gz	ZHOORTXFBOHWRA-ZDUSSCGKSA-N	-1	0	273.288	0.918	20	30		CCEDRM
COC[C@]1(C(=O)[O-])CN(C(=O)CC(C)(C)C#N)CCO1	ZINC001593972484	956634060	/nfs/dbraw/zinc/63/40/60/956634060.db2.gz	KRIWJQWCXDPTDE-ZDUSSCGKSA-N	-1	0	284.312	0.255	20	30		CCEDRM
C=CCNC(=O)Nc1ccc(C(=O)NCC(=O)[O-])cc1	ZINC000040521283	957372386	/nfs/dbraw/zinc/37/23/86/957372386.db2.gz	CDBWMMTXRHMFIO-UHFFFAOYSA-N	-1	0	277.280	0.809	20	30		CCEDRM
COC[C@H]1C[C@@H](NC(=O)[C@@](C)(C#N)CC(=O)[O-])C1	ZINC001594025918	957720328	/nfs/dbraw/zinc/72/03/28/957720328.db2.gz	LOYGCCDHZPKYTR-VDDIYKPWSA-N	-1	0	254.286	0.532	20	30		CCEDRM
CON=CC(=O)N1CCc2ccccc2[C@H]1C(=O)[O-]	ZINC001594042290	957884056	/nfs/dbraw/zinc/88/40/56/957884056.db2.gz	IARFTWCQOJZZOO-LBPRGKRZSA-N	-1	0	262.265	0.829	20	30		CCEDRM
C#C[C@@H]1CCCN(C(=O)C(=O)N(C)C[C@@H](C)C(=O)[O-])C1	ZINC001588385541	957971804	/nfs/dbraw/zinc/97/18/04/957971804.db2.gz	GPMREMHXBIETJE-GHMZBOCLSA-N	-1	0	280.324	0.037	20	30		CCEDRM
C#C[C@@H](CC)OC(=O)c1cccn(CC(=O)[O-])c1=O	ZINC001588386471	957979635	/nfs/dbraw/zinc/97/96/35/957979635.db2.gz	APMLDTCHYZZDST-VIFPVBQESA-N	-1	0	263.249	0.502	20	30		CCEDRM
C#C[C@H](NC(=O)[C@@H]1CC(C(=O)[O-])=NO1)c1ccc(F)cc1	ZINC001588387896	957990068	/nfs/dbraw/zinc/99/00/68/957990068.db2.gz	MVRDFQKOHGPQDV-JQWIXIFHSA-N	-1	0	290.250	0.846	20	30		CCEDRM
C#CC[C@H](CO)NC(=O)NCC(CC)(CC)C(=O)[O-]	ZINC001588388568	957997323	/nfs/dbraw/zinc/99/73/23/957997323.db2.gz	COSDDOAPSAGZEA-SNVBAGLBSA-N	-1	0	270.329	0.561	20	30		CCEDRM
C#C[C@@H](CO)NCc1ccc(N2CCC(C(=O)[O-])CC2)o1	ZINC001588388681	957998443	/nfs/dbraw/zinc/99/84/43/957998443.db2.gz	YRFPQJWRVNQJHV-LBPRGKRZSA-N	-1	0	292.335	0.664	20	30		CCEDRM
C#CCC1(OC(=O)c2cn(CC(=O)[O-])nn2)CCC1	ZINC001588392173	958031614	/nfs/dbraw/zinc/03/16/14/958031614.db2.gz	UXTPNULKLSCPTI-UHFFFAOYSA-N	-1	0	263.253	0.466	20	30		CCEDRM
C#CCN(CC#CC)C(=O)C(=O)Nc1cccnc1C(=O)[O-]	ZINC001588396008	958044950	/nfs/dbraw/zinc/04/49/50/958044950.db2.gz	SOKCQERSSMKNAG-UHFFFAOYSA-N	-1	0	299.286	0.203	20	30		CCEDRM
C#CCN(C(=O)C(=O)NCC(CC)(CC)C(=O)[O-])C(C)C	ZINC001588396270	958048301	/nfs/dbraw/zinc/04/83/01/958048301.db2.gz	RKGWAJDQOIBXEO-UHFFFAOYSA-N	-1	0	296.367	0.864	20	30		CCEDRM
C#CCN(CC(=O)[O-])C(=O)[C@H](O)c1cccc(OC)c1	ZINC001588397211	958052578	/nfs/dbraw/zinc/05/25/78/958052578.db2.gz	ADFQQDIJLAMPRA-CYBMUJFWSA-N	-1	0	277.276	0.275	20	30		CCEDRM
C#CCN(CC(=O)[O-])C(=O)[C@@H](O)c1ccccc1OC	ZINC001588397206	958053587	/nfs/dbraw/zinc/05/35/87/958053587.db2.gz	ABBCESQEGRXFJK-ZDUSSCGKSA-N	-1	0	277.276	0.275	20	30		CCEDRM
C#CCN(CC(=O)[O-])C(=O)[C@@H]1CCCc2n[nH]cc21	ZINC001588399193	958071683	/nfs/dbraw/zinc/07/16/83/958071683.db2.gz	HCAOGKNJRIJMHI-SECBINFHSA-N	-1	0	261.281	0.376	20	30		CCEDRM
C#CCN(CC(=O)[O-])C(=O)[C@]1(O)CCc2ccccc2C1	ZINC001588399118	958071842	/nfs/dbraw/zinc/07/18/42/958071842.db2.gz	GRCMBSABHFADCF-INIZCTEOSA-N	-1	0	287.315	0.453	20	30		CCEDRM
N#Cc1ccc(NCCn2cc(C(=O)[O-])nn2)nc1	ZINC000089696811	958081499	/nfs/dbraw/zinc/08/14/99/958081499.db2.gz	WARIHJOSMXCODK-UHFFFAOYSA-N	-1	0	258.241	0.355	20	30		CCEDRM
C#CCN(CC(=O)[O-])C(=O)C[C@H](C)n1ccnc1CC	ZINC001588400474	958082233	/nfs/dbraw/zinc/08/22/33/958082233.db2.gz	YKWYULIIEZONMD-NSHDSACASA-N	-1	0	277.324	0.943	20	30		CCEDRM
C#CCN(CC(=O)[O-])C(=O)CC1(C(=O)OCC)CCC1	ZINC001588402395	958092153	/nfs/dbraw/zinc/09/21/53/958092153.db2.gz	STNUSPRKJGXSRE-UHFFFAOYSA-N	-1	0	281.308	0.656	20	30		CCEDRM
C#CCN(CC(=O)[O-])C(=O)CN1C(=S)N=NC1CCC	ZINC001588406951	958096133	/nfs/dbraw/zinc/09/61/33/958096133.db2.gz	FUGPNPPECKZTES-UHFFFAOYSA-N	-1	0	296.352	0.066	20	30		CCEDRM
C#CCN(CC(=O)[O-])C(=O)N[C@@H](C)C[C@H]1CCOC1	ZINC001588406737	958097000	/nfs/dbraw/zinc/09/70/00/958097000.db2.gz	DIWKQDKMBPVBKR-WDEREUQCSA-N	-1	0	268.313	0.531	20	30		CCEDRM
Cc1cc(NC(=O)NCC#CCO)ccc1C(=O)[O-]	ZINC001594319529	958111731	/nfs/dbraw/zinc/11/17/31/958111731.db2.gz	GPKITBHDPGBMKI-UHFFFAOYSA-N	-1	0	262.265	0.810	20	30		CCEDRM
C#CCN(CC(=O)[O-])C(=O)NCCc1nccnc1C	ZINC001588408955	958121375	/nfs/dbraw/zinc/12/13/75/958121375.db2.gz	OGXQHVGDKGOPRA-UHFFFAOYSA-N	-1	0	276.296	0.057	20	30		CCEDRM
C#CCN(CC(=O)[O-])C(=O)Nc1cnn(C(F)F)c1	ZINC001588412761	958153333	/nfs/dbraw/zinc/15/33/33/958153333.db2.gz	JQQWJYXRAAYJKX-UHFFFAOYSA-N	-1	0	272.211	0.830	20	30		CCEDRM
C#CCN(CC(=O)[O-])C(=O)c1ncnc2[nH]ccc21	ZINC001588418608	958182675	/nfs/dbraw/zinc/18/26/75/958182675.db2.gz	NZHCKXQTQFFFRE-UHFFFAOYSA-N	-1	0	258.237	0.070	20	30		CCEDRM
C#CCN(CC(=O)[O-])C(=O)c1cn(CC(F)F)nc1C	ZINC001588418793	958184930	/nfs/dbraw/zinc/18/49/30/958184930.db2.gz	UAMSJQODPXNTCP-UHFFFAOYSA-N	-1	0	285.250	0.617	20	30		CCEDRM
C#CCN(CC(=O)[O-])C[C@@H]1CCCC[C@H]1C(=O)OC	ZINC001588423986	958210286	/nfs/dbraw/zinc/21/02/86/958210286.db2.gz	IOCGTELIFFHKSY-NWDGAFQWSA-N	-1	0	267.325	0.986	20	30		CCEDRM
C#CCN(CC(=O)[O-])S(=O)(=O)CCC[C@H]1CCOC1	ZINC001588425551	958226469	/nfs/dbraw/zinc/22/64/69/958226469.db2.gz	XRIQOGRNTFDGPM-NSHDSACASA-N	-1	0	289.353	0.153	20	30		CCEDRM
C#CCN(CC(=O)[O-])c1nnc(-c2n[nH]cc2C)n1CC	ZINC001588426663	958230890	/nfs/dbraw/zinc/23/08/90/958230890.db2.gz	WFMBCQJBVGYPGE-UHFFFAOYSA-N	-1	0	288.311	0.521	20	30		CCEDRM
C#CCOCCC(=O)N1CC[C@H](C(=O)[O-])[C@H](C)C1	ZINC001588430556	958258335	/nfs/dbraw/zinc/25/83/35/958258335.db2.gz	CQTSEJGPDLLTCW-MNOVXSKESA-N	-1	0	253.298	0.596	20	30		CCEDRM
C#CCN1CCC[C@@H](NC(=O)[C@H]2CC[C@H]2C(=O)[O-])C1	ZINC001588430647	958260173	/nfs/dbraw/zinc/26/01/73/958260173.db2.gz	OJMQVMJILCGCGF-GRYCIOLGSA-N	-1	0	264.325	0.311	20	30		CCEDRM
C#CCOCCn1nnnc1N1CCC[C@H](CC(=O)[O-])C1	ZINC001588431669	958273128	/nfs/dbraw/zinc/27/31/28/958273128.db2.gz	UMZFPWMYEYLVRN-LLVKDONJSA-N	-1	0	293.327	0.014	20	30		CCEDRM
C#CCOc1cccc(NC(=O)[C@@H](OC)C(=O)[O-])c1	ZINC001588433380	958295238	/nfs/dbraw/zinc/29/52/38/958295238.db2.gz	LDHZBILSACWDHA-LLVKDONJSA-N	-1	0	263.249	0.737	20	30		CCEDRM
C#CCOc1ccc(CNC(=O)[C@@H](OC)C(=O)[O-])cc1	ZINC001588433358	958296283	/nfs/dbraw/zinc/29/62/83/958296283.db2.gz	KAVFCLCRIDWASJ-GFCCVEGCSA-N	-1	0	277.276	0.414	20	30		CCEDRM
C#Cc1cccc(CNC(=O)[C@@](C)(OC)C(=O)[O-])c1	ZINC001588438802	958304692	/nfs/dbraw/zinc/30/46/92/958304692.db2.gz	BVDGVZNHXAYJOH-CQSZACIVSA-N	-1	0	261.277	0.774	20	30		CCEDRM
C#Cc1cccc(N(C)C(=O)c2cn(CC(=O)[O-])nn2)c1	ZINC001588438944	958308010	/nfs/dbraw/zinc/30/80/10/958308010.db2.gz	KTMXVQICXGOFFS-UHFFFAOYSA-N	-1	0	284.275	0.621	20	30		CCEDRM
C#Cc1cccnc1N1CCO[C@@](COC)(C(=O)[O-])C1	ZINC001588439668	958321798	/nfs/dbraw/zinc/32/17/98/958321798.db2.gz	QQVLSDWBKASFDY-AWEZNQCLSA-N	-1	0	276.292	0.369	20	30		CCEDRM
C#Cc1cncc(C(=O)N[C@@H](CCC(=O)OC)C(=O)[O-])c1	ZINC001588439929	958324849	/nfs/dbraw/zinc/32/48/49/958324849.db2.gz	WAJVJBVLFVSVCX-NSHDSACASA-N	-1	0	290.275	0.199	20	30		CCEDRM
C=C(C)[C@H](CC(=O)N1CCN(C(=O)C(=O)[O-])CC1)OCC	ZINC001588441227	958335681	/nfs/dbraw/zinc/33/56/81/958335681.db2.gz	HMFCTULYKCHJGF-NSHDSACASA-N	-1	0	298.339	0.113	20	30		CCEDRM
C=C(C)Cn1c(CO)nnc1N1CCC[C@@H](C(=O)[O-])C1	ZINC001588443209	958352120	/nfs/dbraw/zinc/35/21/20/958352120.db2.gz	OJTDBKPJFMSNLS-SNVBAGLBSA-N	-1	0	280.328	0.648	20	30		CCEDRM
C=CCNC(=O)CN1CC[C@](C(=O)[O-])(C(F)(F)F)C1	ZINC000104196444	958362683	/nfs/dbraw/zinc/36/26/83/958362683.db2.gz	GYCDUFZEHYDEGT-JTQLQIEISA-N	-1	0	280.246	0.628	20	30		CCEDRM
C=C(CO)C(=O)N1C[C@@H](c2ccccc2)[C@H](C(=O)[O-])C1	ZINC001588445161	958370885	/nfs/dbraw/zinc/37/08/85/958370885.db2.gz	CGOBNUQTSHDQFG-QWHCGFSZSA-N	-1	0	275.304	0.862	20	30		CCEDRM
C=C[C@H](C)ONC(=O)N[C@@H]1CCCCN(CC(=O)[O-])C1=O	ZINC001588450731	958399575	/nfs/dbraw/zinc/39/95/75/958399575.db2.gz	AONSZNIJKDLOLA-VHSXEESVSA-N	-1	0	299.327	0.257	20	30		CCEDRM
C=CCC1(O)CN(C(=O)c2cccc(OCC(=O)[O-])c2)C1	ZINC001588457937	958455739	/nfs/dbraw/zinc/45/57/39/958455739.db2.gz	NCNWLRKULUNIOE-UHFFFAOYSA-N	-1	0	291.303	0.913	20	30		CCEDRM
C=CC[C@H](NC(=O)c1cc(C(=O)[O-])nn1C)C(=O)OCC	ZINC001588458680	958465874	/nfs/dbraw/zinc/46/58/74/958465874.db2.gz	XWCPNPRQHYFQML-QMMMGPOBSA-N	-1	0	295.295	0.356	20	30		CCEDRM
C=CCCNC(=O)[C@H]1CCCN(CC(=O)[O-])C1=O	ZINC001588459870	958469658	/nfs/dbraw/zinc/46/96/58/958469658.db2.gz	ISBUJZSKDBOQQA-SECBINFHSA-N	-1	0	254.286	0.002	20	30		CCEDRM
C=CCCNC(=O)N[C@H]1CCCCN(CC(=O)[O-])C1=O	ZINC001588460146	958473574	/nfs/dbraw/zinc/47/35/74/958473574.db2.gz	XCEXTRNOUCNAPH-JTQLQIEISA-N	-1	0	283.328	0.327	20	30		CCEDRM
C=CCOC[C@H]1NC(=O)N(C[C@@H](C(=O)[O-])C(C)C)C1=O	ZINC001588465219	958498528	/nfs/dbraw/zinc/49/85/28/958498528.db2.gz	RCRICFNKBLDAEA-NXEZZACHSA-N	-1	0	284.312	0.466	20	30		CCEDRM
C=CCNC(=O)COC(=O)c1coc(/C=C\C(=O)[O-])c1	ZINC001588465595	958506951	/nfs/dbraw/zinc/50/69/51/958506951.db2.gz	VJUFAWKFQKBBAO-ARJAWSKDSA-N	-1	0	279.248	0.836	20	30		CCEDRM
C=CCn1c([C@H](O)C=C)nnc1N1CC[C@@](C)(C(=O)[O-])C1	ZINC001588470068	958522270	/nfs/dbraw/zinc/52/22/70/958522270.db2.gz	BGWMAWSTLGGVMI-QMTHXVAHSA-N	-1	0	292.339	0.985	20	30		CCEDRM
C=C[C@@H]1OCC[C@H]1CNC(=O)[C@]1(C(=O)[O-])CCCO1	ZINC001573337526	958522917	/nfs/dbraw/zinc/52/29/17/958522917.db2.gz	QBYLTIYGTYXQEU-KWBADKCTSA-N	-1	0	269.297	0.328	20	30		CCEDRM
C=CCn1c([C@H]2CCOC2)nnc1N1CC[C@@H](C(=O)[O-])C1	ZINC001588473342	958550109	/nfs/dbraw/zinc/55/01/09/958550109.db2.gz	XZMRYOYPNUHMDZ-MNOVXSKESA-N	-1	0	292.339	0.879	20	30		CCEDRM
CC#CCNC(=O)NC[C@H]1CCC2(CC(C(=O)[O-])C2)O1	ZINC001588478780	958571821	/nfs/dbraw/zinc/57/18/21/958571821.db2.gz	LGEBTZOMFOQVHA-IQLKVPPVSA-N	-1	0	280.324	0.721	20	30		CCEDRM
C[C@](C#N)(CC(=O)[O-])C(=O)Nc1ccn2nccc2n1	ZINC001573362928	958602940	/nfs/dbraw/zinc/60/29/40/958602940.db2.gz	HHCQXCNBOYCESU-GFCCVEGCSA-N	-1	0	273.252	0.672	20	30		CCEDRM
CC(N=Nc1ncccc1C(=O)[O-])c1cnn(C)n1	ZINC001588485667	958603274	/nfs/dbraw/zinc/60/32/74/958603274.db2.gz	DCRQMKZVEMVXKA-UHFFFAOYSA-N	-1	0	260.257	0.744	20	30		CCEDRM
CC(=NNCC1CCCC1)c1cn(CC(=O)[O-])nn1	ZINC001588486060	958607802	/nfs/dbraw/zinc/60/78/02/958607802.db2.gz	PHWROVLQICMLSK-UHFFFAOYSA-N	-1	0	265.317	0.867	20	30		CCEDRM
C[C@@](C#N)(CC(=O)[O-])C(=O)N[C@H]1CC12CCOCC2	ZINC001573364761	958617593	/nfs/dbraw/zinc/61/75/93/958617593.db2.gz	QQVRJGJBVUYONJ-CABZTGNLSA-N	-1	0	266.297	0.676	20	30		CCEDRM
CC(=O)NCCN(Cc1nc(C#N)cs1)[C@H](C)C(=O)[O-]	ZINC001588514907	958787283	/nfs/dbraw/zinc/78/72/83/958787283.db2.gz	LRRNWVMTQLSYRC-MRVPVSSYSA-N	-1	0	296.352	0.426	20	30		CCEDRM
COCCN(CCC#N)C(=O)c1ccc(C(=O)[O-])o1	ZINC000132755761	958799860	/nfs/dbraw/zinc/79/98/60/958799860.db2.gz	ZXLYTVZBDKGRCS-UHFFFAOYSA-N	-1	0	266.253	0.980	20	30		CCEDRM
CC[C@H](CC#N)NS(=O)(=O)c1scnc1C(=O)[O-]	ZINC000134705587	958855214	/nfs/dbraw/zinc/85/52/14/958855214.db2.gz	VFVQYVJUEVSPNO-ZCFIWIBFSA-N	-1	0	289.338	0.812	20	30		CCEDRM
COc1ncc(NC(=O)N[C@H](C)C(=O)[O-])cc1C#N	ZINC001594160359	958878839	/nfs/dbraw/zinc/87/88/39/958878839.db2.gz	CMOXAYYYVQRHDQ-ZCFIWIBFSA-N	-1	0	264.241	0.556	20	30		CCEDRM
C[C@](C#N)(CC(=O)[O-])C(=O)N1CCC2(CCNC2=O)CC1	ZINC001588534444	958921089	/nfs/dbraw/zinc/92/10/89/958921089.db2.gz	GTAWBKMPUCYYPS-CYBMUJFWSA-N	-1	0	293.323	0.120	20	30		CCEDRM
C[C@@](C#N)(CC(=O)[O-])C(=O)N1CC[C@H](OC(F)F)C1	ZINC001588538253	958938932	/nfs/dbraw/zinc/93/89/32/958938932.db2.gz	GHHQFMTUCLIBLU-CPCISQLKSA-N	-1	0	276.239	0.831	20	30		CCEDRM
C[C@](C#N)(CC(=O)[O-])C(=O)OC[C@@H]1CN(C2CC2)C(=O)O1	ZINC001588540036	958957008	/nfs/dbraw/zinc/95/70/08/958957008.db2.gz	MSJZASGMGDTOKB-TVQRCGJNSA-N	-1	0	296.279	0.517	20	30		CCEDRM
C[C@H](C#N)OCCn1cc(CN2CCC[C@@H]2C(=O)[O-])nn1	ZINC001588542932	958974030	/nfs/dbraw/zinc/97/40/30/958974030.db2.gz	FPNDJWPXSCAFSL-ZYHUDNBSSA-N	-1	0	293.327	0.256	20	30		CCEDRM
C[C@H](C#N)CN(C)C(=O)[C@H]1CO[C@H](CCC(=O)[O-])C1	ZINC001588543785	958983532	/nfs/dbraw/zinc/98/35/32/958983532.db2.gz	RUZVRVFLZZGUKV-GMTAPVOTSA-N	-1	0	268.313	0.874	20	30		CCEDRM
C[C@H](C#N)CN(C)C(=O)[C@H]1CO[C@@H](CCC(=O)[O-])C1	ZINC001588543787	958983827	/nfs/dbraw/zinc/98/38/27/958983827.db2.gz	RUZVRVFLZZGUKV-MXWKQRLJSA-N	-1	0	268.313	0.874	20	30		CCEDRM
C[C@H](C(=O)N1CCC(C)(C(=O)[O-])CC1)n1cnc(C#N)n1	ZINC001588549155	959009066	/nfs/dbraw/zinc/00/90/66/959009066.db2.gz	SPWATYUISNINSA-SECBINFHSA-N	-1	0	291.311	0.424	20	30		CCEDRM
C[C@@H](C(=O)Nc1cccnc1C(=O)[O-])n1cnc(C#N)n1	ZINC001588560703	959095796	/nfs/dbraw/zinc/09/57/96/959095796.db2.gz	MESRYFKZPFGAQO-ZETCQYMHSA-N	-1	0	286.251	0.443	20	30		CCEDRM
C[C@H](C(=O)Nc1cccnc1C(=O)[O-])n1cnc(C#N)n1	ZINC001588560702	959096376	/nfs/dbraw/zinc/09/63/76/959096376.db2.gz	MESRYFKZPFGAQO-SSDOTTSWSA-N	-1	0	286.251	0.443	20	30		CCEDRM
C#CC[C@H](NS(=O)(=O)c1c[nH]c2ncccc12)C(=O)[O-]	ZINC000159589803	959121086	/nfs/dbraw/zinc/12/10/86/959121086.db2.gz	CTBJVLNEPKCTTF-VIFPVBQESA-N	-1	0	293.304	0.318	20	30		CCEDRM
C#CC[C@@H](NS(=O)(=O)c1c[nH]c2ncccc12)C(=O)[O-]	ZINC000159589971	959121944	/nfs/dbraw/zinc/12/19/44/959121944.db2.gz	CTBJVLNEPKCTTF-SECBINFHSA-N	-1	0	293.304	0.318	20	30		CCEDRM
CSC[C@](C)(C#N)NC(=O)[C@H]1CC[C@H]1C(=O)[O-]	ZINC001594185824	959124514	/nfs/dbraw/zinc/12/45/14/959124514.db2.gz	RDDBPTZYFNGQCB-RNSXUZJQSA-N	-1	0	256.327	0.859	20	30		CCEDRM
C[C@H](C(=O)[O-])C(=O)Nc1ccccc1-n1ncc(C#N)c1N	ZINC001588586443	959314107	/nfs/dbraw/zinc/31/41/07/959314107.db2.gz	SEOWELOOAALXOI-QMMMGPOBSA-N	-1	0	299.290	0.985	20	30		CCEDRM
Cc1[nH]c(C#N)cc1C(=O)N1CCO[C@@H](C(=O)[O-])C1	ZINC001594248175	959599648	/nfs/dbraw/zinc/59/96/48/959599648.db2.gz	WRJILXGKCSWERM-SNVBAGLBSA-N	-1	0	263.253	0.120	20	30		CCEDRM
CC(C)(C)[C@@H](C(=O)[O-])C(=O)N1CCN(C(=O)CC#N)CC1	ZINC001588632580	959622439	/nfs/dbraw/zinc/62/24/39/959622439.db2.gz	VXUDNFAPCZHNNN-LLVKDONJSA-N	-1	0	295.339	0.318	20	30		CCEDRM
CC(C)(C)[C@@H](C(=O)[O-])C(=O)N1CCN(C2CC2)[C@@H](C#N)C1	ZINC001588632632	959623576	/nfs/dbraw/zinc/62/35/76/959623576.db2.gz	WONYIAMHHHNNPT-NWDGAFQWSA-N	-1	0	293.367	0.932	20	30		CCEDRM
Cc1nn(C)c(NC(=O)[C@@H]2CC[C@@H]2C(=O)[O-])c1C#N	ZINC001594483617	959650216	/nfs/dbraw/zinc/65/02/16/959650216.db2.gz	ULAAKWDXRCIQBR-SFYZADRCSA-N	-1	0	262.269	0.650	20	30		CCEDRM
Cc1cc(C#N)nc(N2CCOC[C@@H]2CC(=O)[O-])n1	ZINC000231894252	960214658	/nfs/dbraw/zinc/21/46/58/960214658.db2.gz	BXJZPYPGKJTHCC-JTQLQIEISA-N	-1	0	262.269	0.337	20	30		CCEDRM
CC(C)(C)CNC(=O)COC(=O)[C@@](C)(C#N)CC(=O)[O-]	ZINC001588658104	960422134	/nfs/dbraw/zinc/42/21/34/960422134.db2.gz	UDNDIWHXQKOIAA-CYBMUJFWSA-N	-1	0	284.312	0.696	20	30		CCEDRM
N#C[C@H]1COCCN1C(=O)[C@H]1CC[C@@H](C(=O)[O-])C1	ZINC001574242051	960467782	/nfs/dbraw/zinc/46/77/82/960467782.db2.gz	SJFSNVIRFKKVHV-AEJSXWLSSA-N	-1	0	252.270	0.238	20	30		CCEDRM
C[C@@H]1CN(C[C@H](O)c2ccc(C#N)cc2)C[C@@H](C(=O)[O-])O1	ZINC001571037874	960545758	/nfs/dbraw/zinc/54/57/58/960545758.db2.gz	CDVYRCVRIAMGPB-SWHYSGLUSA-N	-1	0	290.319	0.766	20	30		CCEDRM
CCC(C#N)(CC)C(=O)N(CCC(=O)OC)CC(=O)[O-]	ZINC001573758697	960589060	/nfs/dbraw/zinc/58/90/60/960589060.db2.gz	MEMUCWXFWXGDFC-UHFFFAOYSA-N	-1	0	284.312	0.793	20	30		CCEDRM
N#Cc1ncccc1S(=O)(=O)N1CCC[C@H](C(=O)[O-])C1	ZINC000236456839	960630145	/nfs/dbraw/zinc/63/01/45/960630145.db2.gz	NKNFPWVRUKCZRG-VIFPVBQESA-N	-1	0	295.320	0.439	20	30		CCEDRM
Cc1ccc(CNC(=O)[C@@](C)(C#N)CC(=O)[O-])n1C	ZINC001574367004	961045157	/nfs/dbraw/zinc/04/51/57/961045157.db2.gz	VQTOGBQPCJVPOY-CYBMUJFWSA-N	-1	0	263.297	0.954	20	30		CCEDRM
CC(C)(CC#N)CNC(=O)[C@H]1CCCN(CC(=O)[O-])C1=O	ZINC001588754955	961219493	/nfs/dbraw/zinc/21/94/93/961219493.db2.gz	RXJNBBGCPZKAQO-SNVBAGLBSA-N	-1	0	295.339	0.366	20	30		CCEDRM
CC(C)[C@](C)(C#N)NC(=O)COC(=O)CCC(=O)[O-]	ZINC001588812691	961531463	/nfs/dbraw/zinc/53/14/63/961531463.db2.gz	OJVZWVHSXVEAGX-LBPRGKRZSA-N	-1	0	270.285	0.449	20	30		CCEDRM
CC(C)[C@H](CNC(=O)C(=O)N1CCC[C@H](C#N)C1)C(=O)[O-]	ZINC001588815402	961568880	/nfs/dbraw/zinc/56/88/80/961568880.db2.gz	OYIVCCBZQANSCJ-MNOVXSKESA-N	-1	0	295.339	0.222	20	30		CCEDRM
Cn1nccc1[C@H](NC(=O)c1coc(C#N)c1)C(=O)[O-]	ZINC001574473085	961620989	/nfs/dbraw/zinc/62/09/89/961620989.db2.gz	VBRCVFTYGOKTOG-JTQLQIEISA-N	-1	0	274.236	0.440	20	30		CCEDRM
N#Cc1n[nH]cc1NC(=O)[C@H]1CO[C@@H](CCC(=O)[O-])C1	ZINC001574479650	961652690	/nfs/dbraw/zinc/65/26/90/961652690.db2.gz	NTBINPZAYDIZHY-SFYZADRCSA-N	-1	0	278.268	0.490	20	30		CCEDRM
N#CC[C@]1(O)CCN(C(=O)Nc2cccnc2C(=O)[O-])C1	ZINC001574480038	961655912	/nfs/dbraw/zinc/65/59/12/961655912.db2.gz	AMYDIVGXRNMXIG-ZDUSSCGKSA-N	-1	0	290.279	0.662	20	30		CCEDRM
N#CCC1CCN(C(=O)[C@@H]2CC(C(=O)[O-])=NO2)CC1	ZINC001574480016	961656826	/nfs/dbraw/zinc/65/68/26/961656826.db2.gz	AAQSFYKWIVULJX-JTQLQIEISA-N	-1	0	265.269	0.368	20	30		CCEDRM
N#CC1(C(=O)N[C@H]2CCC[C@H]2C(=O)[O-])CCOCC1	ZINC001574480485	961664278	/nfs/dbraw/zinc/66/42/78/961664278.db2.gz	KIZKJFKNCSWSRQ-ZJUUUORDSA-N	-1	0	266.297	0.676	20	30		CCEDRM
CN1CCn2nc(NC(=O)[C@@](C)(C#N)CC(=O)[O-])cc2C1	ZINC001574031652	962025146	/nfs/dbraw/zinc/02/51/46/962025146.db2.gz	BBFMFNSOFAFLDL-CYBMUJFWSA-N	-1	0	291.311	0.272	20	30		CCEDRM
COC(=O)[C@@H]1CC[C@H](NC(=O)[C@](C)(C#N)CC(=O)[O-])C1	ZINC001574076894	962274400	/nfs/dbraw/zinc/27/44/00/962274400.db2.gz	VPCLDOGFDZVOBO-ZDMBXUJBSA-N	-1	0	282.296	0.449	20	30		CCEDRM
C#CCCCC(=O)N[C@@H]1C[C@H](C)N(C(=O)CNC(=O)[O-])C1	ZINC001573302363	962651397	/nfs/dbraw/zinc/65/13/97/962651397.db2.gz	ATODRNDMNGNTIE-WDEREUQCSA-N	-1	0	295.339	0.163	20	30		CCEDRM
C=C(C)C[C@H](NC(=O)c1cn(C[C@@H](O)CC)nn1)C(=O)[O-]	ZINC001573323942	962777970	/nfs/dbraw/zinc/77/79/70/962777970.db2.gz	JLZKCVNOKZCGSP-UWVGGRQHSA-N	-1	0	296.327	0.198	20	30		CCEDRM
C=C(C)CCC(=O)N(C)C[C@@H](C)NC(=O)CNC(=O)[O-]	ZINC001573324785	962790938	/nfs/dbraw/zinc/79/09/38/962790938.db2.gz	YFWWKOAIOAOJQA-SNVBAGLBSA-N	-1	0	285.344	0.573	20	30		CCEDRM
C=C(CCC(=O)[O-])C(=O)N1CC[C@@H](C(=O)OC)[C@H]1C	ZINC001573332075	962824544	/nfs/dbraw/zinc/82/45/44/962824544.db2.gz	IAQUNCKIDDBESQ-NXEZZACHSA-N	-1	0	269.297	0.817	20	30		CCEDRM
C=C(CCC(=O)[O-])C(=O)NCC1(C(N)=O)CCCC1	ZINC001573332404	962832955	/nfs/dbraw/zinc/83/29/55/962832955.db2.gz	IQGUYZOANXLFDH-UHFFFAOYSA-N	-1	0	268.313	0.569	20	30		CCEDRM
C=C(CCC(=O)[O-])C(=O)NCC(=O)NCC(C)C	ZINC001573333051	962849473	/nfs/dbraw/zinc/84/94/73/962849473.db2.gz	SYSQAQYYADNQEY-UHFFFAOYSA-N	-1	0	256.302	0.296	20	30		CCEDRM
C=C(CCC(=O)[O-])C(=O)N[C@@H](C)c1nnnn1C1CC1	ZINC001573333124	962851829	/nfs/dbraw/zinc/85/18/29/962851829.db2.gz	VQPXZJJBXHJNSF-QMMMGPOBSA-N	-1	0	279.300	0.606	20	30		CCEDRM
C[C@@H](CC(=O)[O-])NC(=O)N1CCC2(CC1)CC(=O)C=CO2	ZINC001588997075	962856062	/nfs/dbraw/zinc/85/60/62/962856062.db2.gz	UJEWFNDSSWXFBL-JTQLQIEISA-N	-1	0	296.323	0.897	20	30		CCEDRM
COc1ccc(C#N)cc1NC(=O)[C@@H]1CC(C(=O)[O-])=NO1	ZINC001574195979	962876761	/nfs/dbraw/zinc/87/67/61/962876761.db2.gz	HVNFLSHRUMNLAK-NSHDSACASA-N	-1	0	289.247	0.735	20	30		CCEDRM
C=CCOC[C@@H](NC(=O)[C@@H]1[C@H]2CCCO[C@H]21)C(=O)[O-]	ZINC001526721002	962880146	/nfs/dbraw/zinc/88/01/46/962880146.db2.gz	HHURDPNXBWVFNZ-GWOFURMSSA-N	-1	0	269.297	0.183	20	30		CCEDRM
C=C[C@@H](O)C(=O)N[C@@H](C(=O)[O-])c1cc(F)ccc1F	ZINC001573346466	962938521	/nfs/dbraw/zinc/93/85/21/962938521.db2.gz	ANJIGHBLIAOENU-NXEZZACHSA-N	-1	0	271.219	0.754	20	30		CCEDRM
C=CC(C)(C)CC(=O)NC[C@H](C)NC(=O)CNC(=O)[O-]	ZINC001573346570	962941080	/nfs/dbraw/zinc/94/10/80/962941080.db2.gz	CNNQPXCPWVYQKY-VIFPVBQESA-N	-1	0	285.344	0.477	20	30		CCEDRM
C=CCCOCC(=O)O[C@H](C)c1cn(CC(=O)[O-])nn1	ZINC001573360052	963030917	/nfs/dbraw/zinc/03/09/17/963030917.db2.gz	FGQOJSOHEWHOEJ-SECBINFHSA-N	-1	0	283.284	0.560	20	30		CCEDRM
C[C@@H]1CN(Cc2cccc(C#N)n2)C[C@@H](C(=O)[O-])O1	ZINC001570976547	963059075	/nfs/dbraw/zinc/05/90/75/963059075.db2.gz	LQTMRSSZQIMZEJ-SKDRFNHKSA-N	-1	0	261.281	0.627	20	30		CCEDRM
COc1ncc(NC(=O)CCNC(=O)[O-])cc1C#N	ZINC001570984081	963108415	/nfs/dbraw/zinc/10/84/15/963108415.db2.gz	VWHWNDRDGCSHII-UHFFFAOYSA-N	-1	0	264.241	0.558	20	30		CCEDRM
C=C(Cl)CN1CCN(C(=O)[C@@H]2C[C@H]2C(=O)[O-])CC1	ZINC001570999600	963209228	/nfs/dbraw/zinc/20/92/28/963209228.db2.gz	JNYPFTQCYPDHOM-NXEZZACHSA-N	-1	0	272.732	0.604	20	30		CCEDRM
N#Cc1c[nH]c(C(=O)N[C@H](Cc2c[nH]cn2)C(=O)[O-])c1	ZINC001570999740	963211972	/nfs/dbraw/zinc/21/19/72/963211972.db2.gz	QFEXDLIWEMTIOE-SNVBAGLBSA-N	-1	0	273.252	0.035	20	30		CCEDRM
Cn1cc(C(=O)[O-])c(NC(=O)N2CCC(C#N)CC2)n1	ZINC001571005922	963248063	/nfs/dbraw/zinc/24/80/63/963248063.db2.gz	JQDXJGJUYZYIEZ-UHFFFAOYSA-N	-1	0	277.284	0.886	20	30		CCEDRM
C=CCN(CCOC)C(=O)c1c[nH]c(C(=O)[O-])c1	ZINC000311205300	963466905	/nfs/dbraw/zinc/46/69/05/963466905.db2.gz	JCHOKQKVDXVXKI-UHFFFAOYSA-N	-1	0	252.270	0.988	20	30		CCEDRM
C=CCOc1ccc(C(=O)N[C@@](C)(CO)C(=O)[O-])cc1	ZINC000313518509	963656568	/nfs/dbraw/zinc/65/65/68/963656568.db2.gz	BGXTZKBPBANZNJ-AWEZNQCLSA-N	-1	0	279.292	0.817	20	30		CCEDRM
CCN(C[C@@H](C)C#N)S(=O)(=O)c1cc(C(=O)[O-])no1	ZINC000316262577	963996112	/nfs/dbraw/zinc/99/61/12/963996112.db2.gz	RTKJTFLMBPBJAM-ZETCQYMHSA-N	-1	0	287.297	0.543	20	30		CCEDRM
C=C(C)C[C@H](NC(C)=O)C(=O)N1CC(C(=O)[O-])C1	ZINC001588443024	964060352	/nfs/dbraw/zinc/06/03/52/964060352.db2.gz	XNWCZNPLLGRBCY-JTQLQIEISA-N	-1	0	254.286	0.000	20	30		CCEDRM
C=C(Cl)C[C@@H]1NC(=O)N(CCCC(=O)[O-])C1=O	ZINC001588445457	964066737	/nfs/dbraw/zinc/06/67/37/964066737.db2.gz	KBOGMZQFQSSMRH-ZETCQYMHSA-N	-1	0	260.677	0.914	20	30		CCEDRM
C#CCCCOC(=O)CN1CCC[C@H](C(=O)[O-])C1=O	ZINC001588446398	964072737	/nfs/dbraw/zinc/07/27/37/964072737.db2.gz	GJAKIHKAPYHGBS-JTQLQIEISA-N	-1	0	267.281	0.266	20	30		CCEDRM
C#CCCCNC(=O)Nc1nn(C)cc1C(=O)[O-]	ZINC001588446767	964078690	/nfs/dbraw/zinc/07/86/90/964078690.db2.gz	ZZMZFXXZCUPFTR-UHFFFAOYSA-N	-1	0	250.258	0.653	20	30		CCEDRM
C#CCN(CC(=O)[O-])C(=O)[C@H](C)Oc1ccccc1C#N	ZINC000092477968	967593827	/nfs/dbraw/zinc/59/38/27/967593827.db2.gz	HGKZTQCRJMYBKZ-NSHDSACASA-N	-1	0	286.287	0.872	20	30		CCEDRM
C#CCN(CC(=O)[O-])Cc1ccc2c(c1)OCCO2	ZINC000092492076	967598945	/nfs/dbraw/zinc/59/89/45/967598945.db2.gz	MGKBFSHZTXEOMC-UHFFFAOYSA-N	-1	0	261.277	0.978	20	30		CCEDRM
C#CCN(CC(=O)[O-])C(=O)N[C@H](COCC)C(C)C	ZINC000233797014	967748376	/nfs/dbraw/zinc/74/83/76/967748376.db2.gz	XEIQTTFGGHATEW-LLVKDONJSA-N	-1	0	270.329	0.777	20	30		CCEDRM
COc1cc(CN2CCO[C@@H](C(=O)[O-])C2)ccc1C#N	ZINC000234988310	967757464	/nfs/dbraw/zinc/75/74/64/967757464.db2.gz	QDNMWKVJKQCCQN-CYBMUJFWSA-N	-1	0	276.292	0.852	20	30		CCEDRM
C#CCN(CC(=O)[O-])C(=O)NCc1ccc(C)c(C)n1	ZINC000314775991	967968742	/nfs/dbraw/zinc/96/87/42/967968742.db2.gz	LRPPRJNINVRIHM-UHFFFAOYSA-N	-1	0	275.308	0.928	20	30		CCEDRM
COCCN(CC(=O)[O-])C(=O)c1cc(C#N)[nH]c1C	ZINC001606882019	970385338	/nfs/dbraw/zinc/38/53/38/970385338.db2.gz	LGLFFABVEIKEPB-UHFFFAOYSA-N	-1	0	265.269	0.368	20	30		CCEDRM
C#CCN(C)C(=O)C(=O)Nc1ccc(C(=O)[O-])cc1F	ZINC001609137180	970421142	/nfs/dbraw/zinc/42/11/42/970421142.db2.gz	CQBDVGIMYPKKST-UHFFFAOYSA-N	-1	0	278.239	0.554	20	30		CCEDRM
C=C(C)CN(CC)C(=O)C(=O)N(C)CCC(=O)[O-]	ZINC001609626281	970427057	/nfs/dbraw/zinc/42/70/57/970427057.db2.gz	NWULDMDNTWWAQG-UHFFFAOYSA-N	-1	0	256.302	0.344	20	30		CCEDRM
C=CCN(CC=C)C(=O)C(=O)NC1CCC(C(=O)[O-])CC1	ZINC001609636806	970429269	/nfs/dbraw/zinc/42/92/69/970429269.db2.gz	GHWUWTLSEGIYCN-UHFFFAOYSA-N	-1	0	294.351	0.947	20	30		CCEDRM
C=CCN(C)C(=O)C(=O)Nc1cccc(CC(=O)[O-])c1	ZINC001609636917	970432141	/nfs/dbraw/zinc/43/21/41/970432141.db2.gz	VCRSHLJYHOZJKN-UHFFFAOYSA-N	-1	0	276.292	0.897	20	30		CCEDRM
C[C@@]1(C(=O)[O-])CCN(C(=O)NCC2(C#N)CC2)C1	ZINC001610018300	970639962	/nfs/dbraw/zinc/63/99/62/970639962.db2.gz	HTLOLNSLQVTMSK-LLVKDONJSA-N	-1	0	251.286	0.796	20	30		CCEDRM
CCc1ccc(C#CC(=O)NC[C@](C)(O)C(=O)[O-])cc1	ZINC001610060396	970649848	/nfs/dbraw/zinc/64/98/48/970649848.db2.gz	POYHXIUZKLKCMB-HNNXBMFYSA-N	-1	0	275.304	0.552	20	30		CCEDRM
C[C@@H]1[C@H](CO)CCCN1C(=O)[C@@](C)(C#N)CC(=O)[O-]	ZINC001610068307	970654628	/nfs/dbraw/zinc/65/46/28/970654628.db2.gz	QBEMNDDMJMAIHE-GBIKHYSHSA-N	-1	0	268.313	0.610	20	30		CCEDRM
C[C@@]1(C#N)CCN(C(=O)[C@H]2CCCN(CC(=O)[O-])C2=O)C1	ZINC001603290948	972550837	/nfs/dbraw/zinc/55/08/37/972550837.db2.gz	ZZQNIDFOCBOXRI-HZMBPMFUSA-N	-1	0	293.323	0.072	20	30		CCEDRM
CN(CCCC(=O)[O-])C(=O)C(=O)Nc1cccc(C#N)c1	ZINC001604155850	972567722	/nfs/dbraw/zinc/56/77/22/972567722.db2.gz	UMKDPHGKTGUQHY-UHFFFAOYSA-N	-1	0	289.291	0.820	20	30		CCEDRM
C=CCNC(=O)CNc1nc(C(=O)[O-])ccc1[N+](=O)[O-]	ZINC000393794156	972641585	/nfs/dbraw/zinc/64/15/85/972641585.db2.gz	HBOXQSSTYMGUCO-UHFFFAOYSA-N	-1	0	280.240	0.402	20	30		CCEDRM
COC(=O)CCN(CC(=O)[O-])C(=O)CC1(C#N)CC1	ZINC001604302817	972942804	/nfs/dbraw/zinc/94/28/04/972942804.db2.gz	CBQREZHZMSVINQ-UHFFFAOYSA-N	-1	0	268.269	0.157	20	30		CCEDRM
CO[C@H](C(=O)[O-])C(=O)N[C@H]1CCc2cc(C#N)ccc21	ZINC001604423896	973202648	/nfs/dbraw/zinc/20/26/48/973202648.db2.gz	JLUUNZNPDCELKS-RYUDHWBXSA-N	-1	0	274.276	0.761	20	30		CCEDRM
C[C@H]1CN(C(=O)NCCCC(=O)[O-])C[C@H](C)N1CC#N	ZINC001603450533	973255039	/nfs/dbraw/zinc/25/50/39/973255039.db2.gz	YNIVUAKGGFISAF-QWRGUYRKSA-N	-1	0	282.344	0.479	20	30		CCEDRM
CO[C@@](C)(C(=O)[O-])C(=O)[C@H](C#N)c1nccn1C	ZINC001604450827	973279411	/nfs/dbraw/zinc/27/94/11/973279411.db2.gz	NARYNJHELINCRC-WRWORJQWSA-N	-1	0	251.242	0.086	20	30		CCEDRM
CO[C@](C)(C(=O)[O-])C(=O)NCc1cccc(OCC#N)c1	ZINC001604463525	973323696	/nfs/dbraw/zinc/32/36/96/973323696.db2.gz	QQAWAOCBBRKRGD-AWEZNQCLSA-N	-1	0	292.291	0.695	20	30		CCEDRM
CO[C@H](CNC(=O)[C@](C)(C#N)CC(=O)[O-])[C@H]1CCOC1	ZINC001604471085	973343649	/nfs/dbraw/zinc/34/36/49/973343649.db2.gz	KKUHEXNTFDLPCY-CWSCBRNRSA-N	-1	0	284.312	0.159	20	30		CCEDRM
COC[C@]1(C(=O)[O-])CCN(C(=O)C(C)(C)C#N)C1	ZINC001604522635	973465284	/nfs/dbraw/zinc/46/52/84/973465284.db2.gz	BVKUMJVQQBVKLQ-LBPRGKRZSA-N	-1	0	254.286	0.486	20	30		CCEDRM
COC[C@@]1(C(=O)[O-])CCN(C(=O)C(C)(C)C#N)C1	ZINC001604522634	973465391	/nfs/dbraw/zinc/46/53/91/973465391.db2.gz	BVKUMJVQQBVKLQ-GFCCVEGCSA-N	-1	0	254.286	0.486	20	30		CCEDRM
CC[C@](C)(C#N)NC(=O)c1cc(C(=O)[O-])nn1C	ZINC001603504635	973481043	/nfs/dbraw/zinc/48/10/43/973481043.db2.gz	HPUWUBVQTQWZGK-LLVKDONJSA-N	-1	0	250.258	0.540	20	30		CCEDRM
Cc1cc(N2C[C@@H](O)C[C@H](C(=O)[O-])C2)c(C#N)cn1	ZINC000401906568	973516903	/nfs/dbraw/zinc/51/69/03/973516903.db2.gz	HVBIKBRMKUPBNC-ONGXEEELSA-N	-1	0	261.281	0.534	20	30		CCEDRM
CC[C@@H](C)Cn1c(=O)c(C#N)cn(CC(=O)[O-])c1=O	ZINC001603513075	973517279	/nfs/dbraw/zinc/51/72/79/973517279.db2.gz	VRJOSHAKHMNXLQ-MRVPVSSYSA-N	-1	0	265.269	0.012	20	30		CCEDRM
N#Cc1ccc(F)cc1CN1C[C@H](O)C[C@@H](C(=O)[O-])C1	ZINC000401924612	973537694	/nfs/dbraw/zinc/53/76/94/973537694.db2.gz	QIJVBVNZCSHXDF-DGCLKSJQSA-N	-1	0	278.283	0.965	20	30		CCEDRM
Cc1nc(N2C[C@@H](O)C[C@H](C(=O)[O-])C2)ccc1C#N	ZINC000401970219	973576050	/nfs/dbraw/zinc/57/60/50/973576050.db2.gz	LDAFEEPWPTVOQC-QWRGUYRKSA-N	-1	0	261.281	0.534	20	30		CCEDRM
N#Cc1cc(C(=O)N[C@@H](Cc2ccncc2)C(=O)[O-])c[nH]1	ZINC001605591943	973890635	/nfs/dbraw/zinc/89/06/35/973890635.db2.gz	JPTHEQKJHFWUNR-LBPRGKRZSA-N	-1	0	284.275	0.707	20	30		CCEDRM
N#Cc1ccc(CNC(=O)[C@@]2(C(=O)[O-])CCCO2)cc1F	ZINC001605601826	973907192	/nfs/dbraw/zinc/90/71/92/973907192.db2.gz	FQOROSIGDOBCFD-CQSZACIVSA-N	-1	0	292.266	0.947	20	30		CCEDRM
CCC[C@H](C)[C@@H](CO)NC(=O)[C@@](C)(C#N)CC(=O)[O-]	ZINC001603632866	973955227	/nfs/dbraw/zinc/95/52/27/973955227.db2.gz	NGAFMQVFWPTESE-OPQQBVKSSA-N	-1	0	270.329	0.904	20	30		CCEDRM
N#Cc1ncn(CCNC(=O)Cc2ccccc2C(=O)[O-])n1	ZINC001605626482	973955702	/nfs/dbraw/zinc/95/57/02/973955702.db2.gz	JSEABEFGQOTNKX-UHFFFAOYSA-N	-1	0	299.290	0.207	20	30		CCEDRM
CCCC[C@@H](ON=C(C)C)C(=O)NC[C@@](C)(O)C(=O)[O-]	ZINC001603640187	973978869	/nfs/dbraw/zinc/97/88/69/973978869.db2.gz	AOTGYMHHFONCQC-ZWNOBZJWSA-N	-1	0	288.344	0.909	20	30		CCEDRM
CCN(C(=O)c1cc(C(=O)[O-])nn1C)[C@@H](C)C#N	ZINC001603715784	974139711	/nfs/dbraw/zinc/13/97/11/974139711.db2.gz	TUNLZQSJIYGXQA-ZETCQYMHSA-N	-1	0	250.258	0.492	20	30		CCEDRM
CC(C)[C@H](NC(=O)COC(=O)CCCC#N)C(=O)[O-]	ZINC001591877715	976229973	/nfs/dbraw/zinc/22/99/73/976229973.db2.gz	HMIKAFXSPRTBON-NSHDSACASA-N	-1	0	270.285	0.449	20	30		CCEDRM
C[C@H](CC#N)C(=O)N1CC[C@H](n2cc(C(=O)[O-])nn2)C1	ZINC001592213527	977273320	/nfs/dbraw/zinc/27/33/20/977273320.db2.gz	YWEFJEJJIKVKCB-BDAKNGLRSA-N	-1	0	277.284	0.299	20	30		CCEDRM
C[C@H](CC#N)NC(=O)CC[C@@H]1C[C@H](C(=O)[O-])CO1	ZINC001592222334	977407336	/nfs/dbraw/zinc/40/73/36/977407336.db2.gz	VFJNWNUXKAXXJM-KXUCPTDWSA-N	-1	0	254.286	0.675	20	30		CCEDRM
C[C@@H](CC(=O)[O-])CC(=O)NCC1CCN(CC#N)CC1	ZINC001592385113	977925162	/nfs/dbraw/zinc/92/51/62/977925162.db2.gz	FEQLEYSBDCPLLV-LLVKDONJSA-N	-1	0	281.356	0.839	20	30		CCEDRM
C[C@@H](CC(=O)[O-])S(=O)(=O)Cc1cc(C#N)ccn1	ZINC001592421020	978031926	/nfs/dbraw/zinc/03/19/26/978031926.db2.gz	PJZIKASWUMPWPR-QMMMGPOBSA-N	-1	0	268.294	0.731	20	30		CCEDRM
C[C@H](CC=NNC(=S)NC[C@@H]1CCCO1)C(=O)[O-]	ZINC001592470389	978221444	/nfs/dbraw/zinc/22/14/44/978221444.db2.gz	HUILJBAHPIDIEC-BDAKNGLRSA-N	-1	0	273.358	0.726	20	30		CCEDRM
C[C@@H](CN(C)C(=O)[C@H](O)c1ccc(C#N)cc1)C(=O)[O-]	ZINC001592570031	978466525	/nfs/dbraw/zinc/46/65/25/978466525.db2.gz	VDTUPWQNGVJYHJ-JOYOIKCWSA-N	-1	0	276.292	0.771	20	30		CCEDRM
C[C@@](Cn1cccn1)(NC(=O)CSCC#N)C(=O)[O-]	ZINC001592916046	979888268	/nfs/dbraw/zinc/88/82/68/979888268.db2.gz	BFJSXQBREGUWDL-NSHDSACASA-N	-1	0	282.325	0.099	20	30		CCEDRM
CC[C@H](C(=O)[O-])C(=O)O[C@H](C)C(=O)NC1(C#N)CCC1	ZINC001594766613	981723687	/nfs/dbraw/zinc/72/36/87/981723687.db2.gz	YTHYPMJALOFXOT-RKDXNWHRSA-N	-1	0	282.296	0.591	20	30		CCEDRM
C#C[C@@H](C)N(C)C(=O)NC[C@H]1CCO[C@H]1C(=O)[O-]	ZINC001588368236	983304462	/nfs/dbraw/zinc/30/44/62/983304462.db2.gz	ISKSFTMJVAOPBY-OPRDCNLKSA-N	-1	0	254.286	0.139	20	30		CCEDRM
C#C[C@H](C)N(C)CC(=O)N[C@H](C(=O)[O-])[C@@H](C)CC	ZINC001588368667	983308071	/nfs/dbraw/zinc/30/80/71/983308071.db2.gz	QMJFZVPZCFWPPL-NHCYSSNCSA-N	-1	0	254.330	0.555	20	30		CCEDRM
C#C[C@H](CC)NC(=O)C(=O)Nc1ccccc1C(=O)[O-]	ZINC001588369293	983312934	/nfs/dbraw/zinc/31/29/34/983312934.db2.gz	HUDSHOOOKPBUHB-SECBINFHSA-N	-1	0	274.276	0.851	20	30		CCEDRM
C#C[C@H](CC)NS(=O)(=O)[C@@H]1CCCC[C@H]1C(=O)[O-]	ZINC001588369387	983313667	/nfs/dbraw/zinc/31/36/67/983313667.db2.gz	KFWNFRMNTPWGFQ-GMTAPVOTSA-N	-1	0	273.354	0.961	20	30		CCEDRM
C#C[C@H](CCC)NC(=O)C(=O)Nc1cc(C(=O)[O-])n(C)c1	ZINC001588369512	983314916	/nfs/dbraw/zinc/31/49/16/983314916.db2.gz	OGNHRKCOBGKYKO-SECBINFHSA-N	-1	0	291.307	0.580	20	30		CCEDRM
C#C[C@H](CO)NC(=O)Nc1cccc(OCC(=O)[O-])c1	ZINC001588370821	983322332	/nfs/dbraw/zinc/32/23/32/983322332.db2.gz	NQAQFPRLOWOTCQ-SECBINFHSA-N	-1	0	278.264	0.266	20	30		CCEDRM
C#C[C@H](NC(=O)N[C@H]1CC=C(C(=O)[O-])C1)C1CCOCC1	ZINC001588372317	983329794	/nfs/dbraw/zinc/32/97/94/983329794.db2.gz	HWQAHISOFVUIRZ-STQMWFEESA-N	-1	0	292.335	0.887	20	30		CCEDRM
C#C[C@H](NC(=O)NCc1ccc(C(=O)[O-])o1)[C@H]1CCCO1	ZINC001588373202	983337376	/nfs/dbraw/zinc/33/73/76/983337376.db2.gz	BJVJQTSJNLRKEI-WDEREUQCSA-N	-1	0	292.291	0.958	20	30		CCEDRM
C#C[C@@H](NC(=O)Nc1c(C(=O)[O-])cnn1C)[C@@H]1CCCO1	ZINC001588374089	983340879	/nfs/dbraw/zinc/34/08/79/983340879.db2.gz	OFZWYMJAXMLBRM-ZJUUUORDSA-N	-1	0	292.295	0.421	20	30		CCEDRM
C#C[C@@H]1COCCN1C(=O)NC/C=C(/C)C(=O)[O-]	ZINC001588383927	983385857	/nfs/dbraw/zinc/38/58/57/983385857.db2.gz	PHLHTNGLEUAPSK-ZUYFITGHSA-N	-1	0	252.270	0.061	20	30		CCEDRM
C#CC[C@H](NC(=O)[C@H](C(=O)OCC)C(C)C)C(=O)[O-]	ZINC001588394478	983402747	/nfs/dbraw/zinc/40/27/47/983402747.db2.gz	LKSWIWVBTOGEQF-VHSXEESVSA-N	-1	0	269.297	0.414	20	30		CCEDRM
C#CC[C@@H](CCOC)NC(=O)N1CC[C@](C)(C(=O)[O-])C1	ZINC001588394657	983403401	/nfs/dbraw/zinc/40/34/01/983403401.db2.gz	ORLPXKZMMJWHEB-FZMZJTMJSA-N	-1	0	282.340	0.921	20	30		CCEDRM
C#CC[C@@H](NC(=O)CN1C(=S)N=NC1CCC)C(=O)[O-]	ZINC001588408181	983431128	/nfs/dbraw/zinc/43/11/28/983431128.db2.gz	ZYMNHDMGUFLNTJ-MRVPVSSYSA-N	-1	0	296.352	0.112	20	30		CCEDRM
C#CC[C@@H](NC(=O)c1c[nH]c(Br)c1)C(=O)[O-]	ZINC001588413743	983432191	/nfs/dbraw/zinc/43/21/91/983432191.db2.gz	HFEYYGZTWOTRJW-SSDOTTSWSA-N	-1	0	285.097	0.984	20	30		CCEDRM
C#CC[C@H](NC(=O)c1cc(OCC)no1)C(=O)[O-]	ZINC001588414504	983434204	/nfs/dbraw/zinc/43/42/04/983434204.db2.gz	UQPFWCDGNDUPMH-ZETCQYMHSA-N	-1	0	252.226	0.280	20	30		CCEDRM
C#CC[C@H](NC(=O)c1ccncc1NC(C)=O)C(=O)[O-]	ZINC001588416548	983437120	/nfs/dbraw/zinc/43/71/20/983437120.db2.gz	PMAYVJATDQJDLY-JTQLQIEISA-N	-1	0	275.264	0.246	20	30		CCEDRM
C#CCC1(NC(=O)Cn2cc(C(=O)[O-])cn2)CCOCC1	ZINC001588427557	983456804	/nfs/dbraw/zinc/45/68/04/983456804.db2.gz	CJVKDOWNANKYSI-UHFFFAOYSA-N	-1	0	291.307	0.270	20	30		CCEDRM
C#CCC1(NC(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)[O-])CCC1	ZINC001588427554	983456877	/nfs/dbraw/zinc/45/68/77/983456877.db2.gz	CGWFOUMCXXIJKP-UWVGGRQHSA-N	-1	0	295.339	0.209	20	30		CCEDRM
C#CC[C@@H](NS(=O)(=O)c1ccccc1C=O)C(=O)[O-]	ZINC001588428210	983460455	/nfs/dbraw/zinc/46/04/55/983460455.db2.gz	FYXKRDMIAMENTF-SNVBAGLBSA-N	-1	0	281.289	0.254	20	30		CCEDRM
C#CCC[C@H](O)CNC(=O)CCc1ocnc1C(=O)[O-]	ZINC001588434630	983471342	/nfs/dbraw/zinc/47/13/42/983471342.db2.gz	OZKCCYTYNRTOTF-VIFPVBQESA-N	-1	0	280.280	0.196	20	30		CCEDRM
C#CCN(C)C(=O)C(=O)Nc1ccc(CC(=O)[O-])cc1	ZINC001588461406	983489835	/nfs/dbraw/zinc/48/98/35/983489835.db2.gz	NWTGAKCGAYOMIL-UHFFFAOYSA-N	-1	0	274.276	0.344	20	30		CCEDRM
C#CCN(CC#C)S(=O)(=O)c1cncc(C(=O)[O-])c1	ZINC001588464935	983495425	/nfs/dbraw/zinc/49/54/25/983495425.db2.gz	VUBZNFSVGCRZEU-UHFFFAOYSA-N	-1	0	278.289	0.037	20	30		CCEDRM
CCN(C(=O)[C@@H]1C[C@H](C)[C@@H](C(=O)[O-])O1)[C@@H](C)C#N	ZINC001596156985	983517208	/nfs/dbraw/zinc/51/72/08/983517208.db2.gz	SFOCNCZLOQMVSS-XKNYDFJKSA-N	-1	0	254.286	0.625	20	30		CCEDRM
C#CCNC(=O)[C@@H](C)OC(=O)C[C@@H](C)CC(=O)[O-]	ZINC001588479254	983518316	/nfs/dbraw/zinc/51/83/16/983518316.db2.gz	GHQJOPXVGADHKN-DTWKUNHWSA-N	-1	0	255.270	0.168	20	30		CCEDRM
C#CCNC(=O)[C@H](C)OC(=O)c1cc(C)cc(C(=O)[O-])c1	ZINC001588479264	983518351	/nfs/dbraw/zinc/51/83/51/983518351.db2.gz	GPCCNVYXYPLLEH-JTQLQIEISA-N	-1	0	289.287	0.988	20	30		CCEDRM
C#CCNC(=O)CNc1cccc(C(=O)[O-])c1OC	ZINC001588484204	983523287	/nfs/dbraw/zinc/52/32/87/983523287.db2.gz	ULFCRJXPOBHFJT-UHFFFAOYSA-N	-1	0	262.265	0.555	20	30		CCEDRM
C#CCOCCC(=O)OCc1nc(C(=O)[O-])cs1	ZINC001588489948	983530110	/nfs/dbraw/zinc/53/01/10/983530110.db2.gz	PDOYVMKEVAJKGP-UHFFFAOYSA-N	-1	0	269.278	0.924	20	30		CCEDRM
C#CCO[C@@H](C)C(=O)O[C@H](CCSC)C(=O)[O-]	ZINC001588490485	983532432	/nfs/dbraw/zinc/53/24/32/983532432.db2.gz	NZUJCHVTCNUXOH-DTWKUNHWSA-N	-1	0	260.311	0.774	20	30		CCEDRM
C#CCO[C@@H](C)C(=O)N([C@H](C)C(=O)[O-])C1CCC1	ZINC001588490700	983533847	/nfs/dbraw/zinc/53/38/47/983533847.db2.gz	VUJKBYKHHAMZEA-ZJUUUORDSA-N	-1	0	253.298	0.879	20	30		CCEDRM
CCN(C)C(=O)CN[C@H](C(=O)[O-])c1cccc(C#N)c1	ZINC001596182921	983554674	/nfs/dbraw/zinc/55/46/74/983554674.db2.gz	BSNREDHOHIZOMJ-ZDUSSCGKSA-N	-1	0	275.308	0.752	20	30		CCEDRM
C#Cc1ccc(C(=O)NCCC(=O)NCCC(=O)[O-])cc1	ZINC001588511467	983559503	/nfs/dbraw/zinc/55/95/03/983559503.db2.gz	VWAMLLXINZGAKN-UHFFFAOYSA-N	-1	0	288.303	0.379	20	30		CCEDRM
C#Cc1ccc(C(=O)NC[C@H](C(=O)[O-])[C@@H]2CCOC2)cn1	ZINC001588511418	983559618	/nfs/dbraw/zinc/55/96/18/983559618.db2.gz	UNNWIQSHCLMBBW-YPMHNXCESA-N	-1	0	288.303	0.530	20	30		CCEDRM
C#Cc1ccccc1CC(=O)N1CCO[C@H](C(=O)[O-])C1	ZINC001588524576	983575471	/nfs/dbraw/zinc/57/54/71/983575471.db2.gz	NVULTFJAVVHOJR-ZDUSSCGKSA-N	-1	0	273.288	0.522	20	30		CCEDRM
C#Cc1cccnc1N1C[C@H](C(=O)OC)[C@H](C(=O)[O-])C1	ZINC001588528794	983578126	/nfs/dbraw/zinc/57/81/26/983578126.db2.gz	HJMPGNJVCZMCFL-MNOVXSKESA-N	-1	0	274.276	0.373	20	30		CCEDRM
C=C(C)C(C)(C)C(=O)NCCNC(=O)[C@@H]1C[C@H]1C(=O)[O-]	ZINC001588530305	983583798	/nfs/dbraw/zinc/58/37/98/983583798.db2.gz	YYJJKESJQOLRBM-NXEZZACHSA-N	-1	0	282.340	0.542	20	30		CCEDRM
C=C(C)C[C@@H](CO)NC(=O)c1ccnc(C(=O)[O-])c1	ZINC001588536489	983594015	/nfs/dbraw/zinc/59/40/15/983594015.db2.gz	BUODUZBETGACCB-JTQLQIEISA-N	-1	0	264.281	0.837	20	30		CCEDRM
C=C(C)C[C@@H](NC(=O)CCc1cnn(C)n1)C(=O)[O-]	ZINC001588543182	983611006	/nfs/dbraw/zinc/61/10/06/983611006.db2.gz	YAUSBMFQBOBBKA-SNVBAGLBSA-N	-1	0	266.301	0.283	20	30		CCEDRM
C=C(C)C[C@@H](NC(=O)c1cc(OC)ncn1)C(=O)[O-]	ZINC001588546327	983615080	/nfs/dbraw/zinc/61/50/80/983615080.db2.gz	GZLJFSJIELXGEZ-SECBINFHSA-N	-1	0	265.269	0.634	20	30		CCEDRM
C=C(C)C[C@H](NC(C)=O)C(=O)N(CC)CCC(=O)[O-]	ZINC001588547554	983620895	/nfs/dbraw/zinc/62/08/95/983620895.db2.gz	LLYBKRSIHAOUBX-NSHDSACASA-N	-1	0	270.329	0.781	20	30		CCEDRM
C=C(C)C[C@@H](NC(C)=O)C(=O)Nc1nc(C(=O)[O-])ns1	ZINC001588547877	983621749	/nfs/dbraw/zinc/62/17/49/983621749.db2.gz	OPRPRZGFCDFZPE-SSDOTTSWSA-N	-1	0	298.324	0.646	20	30		CCEDRM
C=C(C)C[C@H](NC(C)=O)C(=O)N1CC[C@](C)(C(=O)[O-])C1	ZINC001588547864	983621947	/nfs/dbraw/zinc/62/19/47/983621947.db2.gz	OMGNTLWRPNFCIM-FZMZJTMJSA-N	-1	0	282.340	0.781	20	30		CCEDRM
C=C(C)C[C@@H](NS(=O)(=O)c1cccnc1F)C(=O)[O-]	ZINC001588555532	983635608	/nfs/dbraw/zinc/63/56/08/983635608.db2.gz	LISLHXCWZKRBHJ-MRVPVSSYSA-N	-1	0	288.300	0.918	20	30		CCEDRM
C=C(C)CNC(=O)N1C[C@H](C(=O)OC)[C@H](C(=O)[O-])C1	ZINC001588585348	983662917	/nfs/dbraw/zinc/66/29/17/983662917.db2.gz	NEPNHBLEAWVEGF-BDAKNGLRSA-N	-1	0	270.285	0.078	20	30		CCEDRM
C=C(CCC(=O)[O-])C(=O)N1C[C@H](CO)O[C@@H](C)C1	ZINC001588612580	983703257	/nfs/dbraw/zinc/70/32/57/983703257.db2.gz	SMBOLPLTDNCKNO-VHSXEESVSA-N	-1	0	257.286	0.016	20	30		CCEDRM
C=C(CCC(=O)[O-])C(=O)N1CCC[C@@H]1c1nncn1C	ZINC001588614963	983709424	/nfs/dbraw/zinc/70/94/24/983709424.db2.gz	FTRZGEVPCJDCSK-SNVBAGLBSA-N	-1	0	278.312	0.900	20	30		CCEDRM
C=C(CCC(=O)[O-])C(=O)N1CCN([C@H]2CCOC2)CC1	ZINC001588615036	983709738	/nfs/dbraw/zinc/70/97/38/983709738.db2.gz	IBZVIJQHRWFDBB-LBPRGKRZSA-N	-1	0	282.340	0.341	20	30		CCEDRM
C=C(CCC(=O)[O-])C(=O)N1CCO[C@@H]([C@@H](C)O)C1	ZINC001588615281	983711143	/nfs/dbraw/zinc/71/11/43/983711143.db2.gz	PIGZUERRZZUHBP-NXEZZACHSA-N	-1	0	257.286	0.016	20	30		CCEDRM
C=C(CCC(=O)[O-])C(=O)N1CCOC[C@H]1c1ncon1	ZINC001588619614	983717902	/nfs/dbraw/zinc/71/79/02/983717902.db2.gz	ZKXWPZYLTIRBCO-VIFPVBQESA-N	-1	0	281.268	0.391	20	30		CCEDRM
C=C(CCC(=O)[O-])C(=O)N[C@H](CO)c1cccnc1	ZINC001588621526	983719602	/nfs/dbraw/zinc/71/96/02/983719602.db2.gz	FWZQDLQBOGJWDM-LLVKDONJSA-N	-1	0	264.281	0.652	20	30		CCEDRM
C=C(CCC(=O)[O-])C(=O)N[C@H](C[C@H]1CCCO1)C(=O)OC	ZINC001588622195	983722627	/nfs/dbraw/zinc/72/26/27/983722627.db2.gz	RABGJSYDVGFIRD-GHMZBOCLSA-N	-1	0	299.323	0.634	20	30		CCEDRM
CCN(CCC#N)S(=O)(=O)N1CC[C@H](C(=O)[O-])[C@H]1C	ZINC001596299635	983725215	/nfs/dbraw/zinc/72/52/15/983725215.db2.gz	RQFHLEQKGQDWLP-ZJUUUORDSA-N	-1	0	289.357	0.262	20	30		CCEDRM
C=C(CCC(=O)[O-])C(=O)NC[C@H](O)c1ccco1	ZINC001588623508	983728428	/nfs/dbraw/zinc/72/84/28/983728428.db2.gz	RVQWWQMRPGUSRL-VIFPVBQESA-N	-1	0	253.254	0.850	20	30		CCEDRM
C=C(CCC(=O)[O-])C(=O)NCc1nc(C(N)=O)cs1	ZINC001588629720	983738920	/nfs/dbraw/zinc/73/89/20/983738920.db2.gz	JAKDJJFBGRULDK-UHFFFAOYSA-N	-1	0	283.309	0.279	20	30		CCEDRM
C=C(CO)C(=O)N1CCC[C@@](O)(C2(C(=O)[O-])CCC2)C1	ZINC001588637019	983758008	/nfs/dbraw/zinc/75/80/08/983758008.db2.gz	CKURBEIMIRROAT-AWEZNQCLSA-N	-1	0	283.324	0.143	20	30		CCEDRM
C=C[C@](C)(CCOC)C(=O)N1CCC([C@H](O)C(=O)[O-])CC1	ZINC001588682829	983845754	/nfs/dbraw/zinc/84/57/54/983845754.db2.gz	QWYAXMUTZIHZOY-SWLSCSKDSA-N	-1	0	299.367	0.899	20	30		CCEDRM
C=C[C@](C)(O)CC(=O)N1CC[C@]2(CC(C(=O)[O-])=NO2)C1	ZINC001588683690	983850838	/nfs/dbraw/zinc/85/08/38/983850838.db2.gz	BWRLFFDHZUJHDR-STQMWFEESA-N	-1	0	282.296	0.146	20	30		CCEDRM
C=C[C@H](C)ONC(=O)CCCn1ccc(C(=O)[O-])n1	ZINC001588687763	983872055	/nfs/dbraw/zinc/87/20/55/983872055.db2.gz	RXRBJXKWZIXWAF-VIFPVBQESA-N	-1	0	267.285	0.984	20	30		CCEDRM
C=C[C@H](CC)CC(=O)N1CC(=O)N(C)C[C@H]1C(=O)[O-]	ZINC001588690975	983877891	/nfs/dbraw/zinc/87/78/91/983877891.db2.gz	NQMBJCZQPYNZBT-ZJUUUORDSA-N	-1	0	268.313	0.343	20	30		CCEDRM
C=C[C@@H](CC)CC(=O)N1CC(=O)N(C)C[C@H]1C(=O)[O-]	ZINC001588690972	983877930	/nfs/dbraw/zinc/87/79/30/983877930.db2.gz	NQMBJCZQPYNZBT-UWVGGRQHSA-N	-1	0	268.313	0.343	20	30		CCEDRM
C=C[C@H](COC)NS(=O)(=O)[C@H]1CCCC[C@H]1C(=O)[O-]	ZINC001588692752	983886616	/nfs/dbraw/zinc/88/66/16/983886616.db2.gz	JFUTZNVOEHTHAQ-MXWKQRLJSA-N	-1	0	291.369	0.750	20	30		CCEDRM
C=C[C@@H](COC)NC(=O)COCc1ocnc1C(=O)[O-]	ZINC001588692898	983888338	/nfs/dbraw/zinc/88/83/38/983888338.db2.gz	MKUSKHZGYSGDGA-QMMMGPOBSA-N	-1	0	284.268	0.207	20	30		CCEDRM
C=C[C@@H](OC(=O)[C@@H](C)Cc1cnn(C)c1)C(=O)[O-]	ZINC001588705220	983926412	/nfs/dbraw/zinc/92/64/12/983926412.db2.gz	LLIVZKDVWQYDMB-WCBMZHEXSA-N	-1	0	252.270	0.781	20	30		CCEDRM
C=C[C@@H](OC(=O)COCc1ncc(C)o1)C(=O)[O-]	ZINC001588710936	983935174	/nfs/dbraw/zinc/93/51/74/983935174.db2.gz	KDSVBOOBLNZXBK-MRVPVSSYSA-N	-1	0	255.226	0.682	20	30		CCEDRM
C=C[C@@H](OC(=O)[C@@H]1CCCN(C(C)=O)C1)C(=O)[O-]	ZINC001588711240	983936778	/nfs/dbraw/zinc/93/67/78/983936778.db2.gz	NHRALIMOUJGHRZ-NXEZZACHSA-N	-1	0	255.270	0.427	20	30		CCEDRM
C=C[C@H](OC(=O)c1cn(C)nc1COC)C(=O)[O-]	ZINC001588712471	983944322	/nfs/dbraw/zinc/94/43/22/983944322.db2.gz	LWIHXBHAHCIGCZ-VIFPVBQESA-N	-1	0	254.242	0.363	20	30		CCEDRM
C=CC[C@H](C(=O)[O-])N1CCc2c(nnn2CCOC)C1	ZINC001588731091	984004668	/nfs/dbraw/zinc/00/46/68/984004668.db2.gz	CTTFIYAAWPENPL-GFCCVEGCSA-N	-1	0	280.328	0.312	20	30		CCEDRM
C=CC[C@H](CO)CNC(=O)Nc1c(C(=O)[O-])cnn1C	ZINC001588737170	984028522	/nfs/dbraw/zinc/02/85/22/984028522.db2.gz	FYUSRLXKXUNPNW-QMMMGPOBSA-N	-1	0	282.300	0.424	20	30		CCEDRM
C=CCC(F)(F)C(=O)N1CC[C@](OC)(C(=O)[O-])C1	ZINC001588743960	984040833	/nfs/dbraw/zinc/04/08/33/984040833.db2.gz	FZYLWDPVDFUAGS-SNVBAGLBSA-N	-1	0	263.240	0.900	20	30		CCEDRM
C=CC[C@@H](CO)NC(=O)Nc1cncc(C(=O)[O-])c1	ZINC001588744459	984042685	/nfs/dbraw/zinc/04/26/85/984042685.db2.gz	LVOHFBCGRQNWLF-VIFPVBQESA-N	-1	0	265.269	0.838	20	30		CCEDRM
C=CC[C@H](CO)NC(=O)Nc1cccc(CC(=O)[O-])n1	ZINC001588744745	984045486	/nfs/dbraw/zinc/04/54/86/984045486.db2.gz	QHXLKXQTZQIHBU-SNVBAGLBSA-N	-1	0	279.296	0.767	20	30		CCEDRM
C=CC[C@@H](OC(=O)[C@H]1CCc2nnc(C)n2C1)C(=O)[O-]	ZINC001588753245	984084210	/nfs/dbraw/zinc/08/42/10/984084210.db2.gz	DAPLNBBFYYDGDO-VHSXEESVSA-N	-1	0	279.296	0.721	20	30		CCEDRM
C=CCC1(C(=O)N[C@H](Cn2cncn2)C(=O)[O-])CCCC1	ZINC001588763652	984120038	/nfs/dbraw/zinc/12/00/38/984120038.db2.gz	VIVSZOVKQJASAN-LLVKDONJSA-N	-1	0	292.339	0.984	20	30		CCEDRM
C=CCCC(=O)NCCN(C(=O)[C@H]1C[C@@H]1C(=O)[O-])C1CC1	ZINC001588776830	984153546	/nfs/dbraw/zinc/15/35/46/984153546.db2.gz	ITPDBEMHDPYZKA-RYUDHWBXSA-N	-1	0	294.351	0.781	20	30		CCEDRM
C=CCCCC(=O)NC1CN(C(=O)[C@H]2C[C@@H]2C(=O)[O-])C1	ZINC001588783013	984176091	/nfs/dbraw/zinc/17/60/91/984176091.db2.gz	STXFGUGZAAJQOA-QWRGUYRKSA-N	-1	0	280.324	0.390	20	30		CCEDRM
C=CCCC[C@H](NC(=O)[C@@H](C)CC(N)=O)C(=O)[O-]	ZINC001588787628	984188017	/nfs/dbraw/zinc/18/80/17/984188017.db2.gz	WZULZZXZBSADMU-IUCAKERBSA-N	-1	0	256.302	0.424	20	30		CCEDRM
C=CCCC[C@H](NC(=O)[C@@H]1CCCN(C(N)=O)C1)C(=O)[O-]	ZINC001588789326	984197659	/nfs/dbraw/zinc/19/76/59/984197659.db2.gz	AZJKRAFUWJJKEP-MNOVXSKESA-N	-1	0	297.355	0.703	20	30		CCEDRM
C=CCCC[C@@H](NC(=O)[C@@H]1CCC(=O)NC1)C(=O)[O-]	ZINC001588790321	984205598	/nfs/dbraw/zinc/20/55/98/984205598.db2.gz	VOCCCHFCWABRIS-NXEZZACHSA-N	-1	0	268.313	0.438	20	30		CCEDRM
C=CCCC[C@@H](NC(=O)c1cccn2nnnc12)C(=O)[O-]	ZINC001588793459	984218845	/nfs/dbraw/zinc/21/88/45/984218845.db2.gz	QWWOHZJGRCAZSV-SNVBAGLBSA-N	-1	0	289.295	0.664	20	30		CCEDRM
C=CCCC[C@@H](NC(=O)c1[nH]c(=O)[nH]c1C)C(=O)[O-]	ZINC001588794520	984228338	/nfs/dbraw/zinc/22/83/38/984228338.db2.gz	XFCZXFRCPMONGU-MRVPVSSYSA-N	-1	0	267.285	0.963	20	30		CCEDRM
C=CCCCNC(=O)N1C[C@H](C(=O)[O-])[C@H](C(=O)OC)C1	ZINC001588803740	984251775	/nfs/dbraw/zinc/25/17/75/984251775.db2.gz	HIIGFNHYWIBYSV-VHSXEESVSA-N	-1	0	284.312	0.468	20	30		CCEDRM
C=CCCN(C)S(=O)(=O)c1cccnc1C(=O)[O-]	ZINC001588807652	984260572	/nfs/dbraw/zinc/26/05/72/984260572.db2.gz	QAFXBJMSIODIEA-UHFFFAOYSA-N	-1	0	270.310	0.976	20	30		CCEDRM
C=CCCO[C@H](C)C(=O)N[C@H](Cn1ccnc1)C(=O)[O-]	ZINC001588808899	984263637	/nfs/dbraw/zinc/26/36/37/984263637.db2.gz	PLHZHJGHRHCUHO-GHMZBOCLSA-N	-1	0	281.312	0.434	20	30		CCEDRM
C=CCCOCC(=O)Nc1nn(C)cc1C(=O)[O-]	ZINC001588810356	984266483	/nfs/dbraw/zinc/26/64/83/984266483.db2.gz	KOOVPWIFNDZNCC-UHFFFAOYSA-N	-1	0	253.258	0.650	20	30		CCEDRM
C=CCCS(=O)(=O)N1C2CCC1(C(=O)[O-])CC2	ZINC001588812845	984268443	/nfs/dbraw/zinc/26/84/43/984268443.db2.gz	CTFXPRYVPGCJGB-UHFFFAOYSA-N	-1	0	259.327	0.974	20	30		CCEDRM
C=CCCn1cc(CNc2ccc(C(=O)[O-])nn2)nn1	ZINC001588819998	984280593	/nfs/dbraw/zinc/28/05/93/984280593.db2.gz	MAUXTRCQMJBFLC-UHFFFAOYSA-N	-1	0	274.284	0.955	20	30		CCEDRM
C=CCN(CC=C)C(=O)C(=O)N1CCC(CC(=O)[O-])CC1	ZINC001588825339	984300068	/nfs/dbraw/zinc/30/00/68/984300068.db2.gz	LDKOFKJLPLKZLI-UHFFFAOYSA-N	-1	0	294.351	0.900	20	30		CCEDRM
C=CCN(CCC#N)S(=O)(=O)c1cc(C(=O)[O-])ccn1	ZINC001588826715	984305734	/nfs/dbraw/zinc/30/57/34/984305734.db2.gz	SBPJPFMFEDZIAA-UHFFFAOYSA-N	-1	0	295.320	0.870	20	30		CCEDRM
C=CCNC(=O)[C@H](C)OC(=O)c1ccc(C(=O)[O-])cn1	ZINC001588838173	984336590	/nfs/dbraw/zinc/33/65/90/984336590.db2.gz	AOOLXZCIHVQLFH-QMMMGPOBSA-N	-1	0	278.264	0.627	20	30		CCEDRM
C=CCNC(=O)[C@@H](C)N1CCc2[nH]nc(C(=O)[O-])c2C1	ZINC001588838912	984342438	/nfs/dbraw/zinc/34/24/38/984342438.db2.gz	LXDUGYUFEWNLNM-MRVPVSSYSA-N	-1	0	278.312	0.157	20	30		CCEDRM
C=CCN1CC[C@@H](n2cc(C[C@@H](CC)C(=O)[O-])nn2)C1=O	ZINC001588839098	984344307	/nfs/dbraw/zinc/34/43/07/984344307.db2.gz	NJKCQOWUMZMKKA-ZYHUDNBSSA-N	-1	0	292.339	0.891	20	30		CCEDRM
C=CCNC(=O)CNC(=O)Cc1ccc(C(=O)[O-])cc1	ZINC001588844817	984360058	/nfs/dbraw/zinc/36/00/58/984360058.db2.gz	VVVRMTVNDMJVPM-UHFFFAOYSA-N	-1	0	276.292	0.346	20	30		CCEDRM
C=CCOC[C@@H](NC(=O)[C@](C)(OC)C1CC1)C(=O)[O-]	ZINC001588851049	984382671	/nfs/dbraw/zinc/38/26/71/984382671.db2.gz	QROXALFRFZVJEN-ZWNOBZJWSA-N	-1	0	271.313	0.574	20	30		CCEDRM
C=CCOC[C@H](NC(=O)C#Cc1ccccc1)C(=O)[O-]	ZINC001588851146	984383142	/nfs/dbraw/zinc/38/31/42/984383142.db2.gz	WJXYSCMARCXBMP-ZDUSSCGKSA-N	-1	0	273.288	0.810	20	30		CCEDRM
C=CCOC[C@H](NC(=O)C(C)(C)c1cnn(C)c1)C(=O)[O-]	ZINC001588851112	984383183	/nfs/dbraw/zinc/38/31/83/984383183.db2.gz	USMVQXCEUPJLDP-NSHDSACASA-N	-1	0	295.339	0.470	20	30		CCEDRM
C=CCOC[C@H](NC(=O)c1c(C)nn(CC)c1C)C(=O)[O-]	ZINC001588856663	984401456	/nfs/dbraw/zinc/40/14/56/984401456.db2.gz	OHKINHVYTSMPFM-NSHDSACASA-N	-1	0	295.339	0.905	20	30		CCEDRM
C=CCOC[C@@H](NC(=O)c1nn(C)cc1Cl)C(=O)[O-]	ZINC001588860331	984412102	/nfs/dbraw/zinc/41/21/02/984412102.db2.gz	QLSOIHCPNMNHOX-MRVPVSSYSA-N	-1	0	287.703	0.459	20	30		CCEDRM
C=CCOC[C@@H](NC(=O)c1cncc(C=O)c1)C(=O)[O-]	ZINC001588860485	984413239	/nfs/dbraw/zinc/41/32/39/984413239.db2.gz	VZVBCZSZDHWGSW-LLVKDONJSA-N	-1	0	278.264	0.280	20	30		CCEDRM
C=CCOC[C@H](NC(=O)c1ccc2nc[nH]c2n1)C(=O)[O-]	ZINC001588862043	984417007	/nfs/dbraw/zinc/41/70/07/984417007.db2.gz	PRVJBSHXWMUTKL-JTQLQIEISA-N	-1	0	290.279	0.344	20	30		CCEDRM
C=CCOC[C@H](NC(=O)c1ccc2cc[nH]c2n1)C(=O)[O-]	ZINC001588862133	984417470	/nfs/dbraw/zinc/41/74/70/984417470.db2.gz	QSLOGIALEVSVSQ-NSHDSACASA-N	-1	0	289.291	0.949	20	30		CCEDRM
C=CCOCCCN1C(=O)[C@H]2CC[C@@H](C(=O)[O-])CN2C1=O	ZINC001588866185	984423496	/nfs/dbraw/zinc/42/34/96/984423496.db2.gz	AXOJAZVRJWKTSQ-GHMZBOCLSA-N	-1	0	296.323	0.707	20	30		CCEDRM
C=CCOC[C@H]1NC(=O)N([C@H]2CC[C@@H](CC(=O)[O-])C2)C1=O	ZINC001588866870	984428476	/nfs/dbraw/zinc/42/84/76/984428476.db2.gz	RPAHZTGYDMNQKM-OUAUKWLOSA-N	-1	0	296.323	0.753	20	30		CCEDRM
C=CCOC[C@H](NS(=O)(=O)c1ccns1)C(=O)[O-]	ZINC001588866894	984428952	/nfs/dbraw/zinc/42/89/52/984428952.db2.gz	SSWXKZLTEYBRHL-ZETCQYMHSA-N	-1	0	292.338	0.077	20	30		CCEDRM
C=CCONC[C@@H](O)COc1ccc(C(=O)[O-])cc1	ZINC001588868360	984432234	/nfs/dbraw/zinc/43/22/34/984432234.db2.gz	AQHWGHXJOKLFGU-LLVKDONJSA-N	-1	0	267.281	0.832	20	30		CCEDRM
C=CCOCCN1C(=O)[C@@H]2C[C@H](C(=O)[O-])CCN2C1=O	ZINC001588868819	984435987	/nfs/dbraw/zinc/43/59/87/984435987.db2.gz	BQVHIQBXGPGVDV-ZJUUUORDSA-N	-1	0	282.296	0.316	20	30		CCEDRM
C=CCS(=O)(=O)CCNc1nccc(C(=O)[O-])n1	ZINC001588878642	984454980	/nfs/dbraw/zinc/45/49/80/984454980.db2.gz	GQEIKPLRKJKJJG-UHFFFAOYSA-N	-1	0	271.298	0.188	20	30		CCEDRM
C=CCn1c(C)nnc1N1CCO[C@H](CC(=O)[O-])C1	ZINC001588895793	984496108	/nfs/dbraw/zinc/49/61/08/984496108.db2.gz	APRSXUBPDDZNCA-SNVBAGLBSA-N	-1	0	266.301	0.452	20	30		CCEDRM
C=CCn1c(CO)nnc1N1CCC(C(=O)[O-])CC1	ZINC001588900268	984520639	/nfs/dbraw/zinc/52/06/39/984520639.db2.gz	DLKRFBTZCXIKMT-UHFFFAOYSA-N	-1	0	266.301	0.257	20	30		CCEDRM
C=CCn1cc(C(=O)Nc2cc(C(=O)[O-])n(C)c2)nn1	ZINC001588910064	984547025	/nfs/dbraw/zinc/54/70/25/984547025.db2.gz	JDLZXSGCBAMHOE-UHFFFAOYSA-N	-1	0	275.268	0.753	20	30		CCEDRM
C=C[C@@H]1OCC[C@H]1C(=O)OCc1cnc(C(=O)[O-])cn1	ZINC001588916375	984559910	/nfs/dbraw/zinc/55/99/10/984559910.db2.gz	ISAWVMFONGXZQH-KOLCDFICSA-N	-1	0	278.264	0.809	20	30		CCEDRM
C=C[C@@H]1OCC[C@H]1NC(=O)Cn1cc(C(=O)[O-])cn1	ZINC001588918069	984569331	/nfs/dbraw/zinc/56/93/31/984569331.db2.gz	VMPYSSWKSUEGAV-ZJUUUORDSA-N	-1	0	265.269	0.041	20	30		CCEDRM
C=C[C@@H]1OCC[C@H]1NC(=O)N1CCO[C@@H](CC(=O)[O-])C1	ZINC001588919796	984574013	/nfs/dbraw/zinc/57/40/13/984574013.db2.gz	MLRVRMZLRULFAY-AXFHLTTASA-N	-1	0	284.312	0.215	20	30		CCEDRM
C=C[C@@H]1OCC[C@H]1NC(=O)N1C[C@@H](C)[C@H](C(=O)[O-])C1	ZINC001588920328	984577727	/nfs/dbraw/zinc/57/77/27/984577727.db2.gz	XDYHDFRWVUUDQN-DBIOUOCHSA-N	-1	0	268.313	0.692	20	30		CCEDRM
CC#CCCCC(=O)N1CC[C@H](n2cc(C(=O)[O-])nn2)C1	ZINC001588925383	984587003	/nfs/dbraw/zinc/58/70/03/984587003.db2.gz	PYECTSNHKWEKDS-NSHDSACASA-N	-1	0	290.323	0.943	20	30		CCEDRM
CC#CC[C@H](CO)NC(=O)C12CCC(C(=O)[O-])(CC1)C2	ZINC001588926453	984594377	/nfs/dbraw/zinc/59/43/77/984594377.db2.gz	YIGGQGRHSSWWEW-VCANKDNSSA-N	-1	0	279.336	0.912	20	30		CCEDRM
CC#CCCNS(=O)(=O)c1cccnc1C(=O)[O-]	ZINC001588930836	984599347	/nfs/dbraw/zinc/59/93/47/984599347.db2.gz	BOYJYQHNORUORI-UHFFFAOYSA-N	-1	0	268.294	0.472	20	30		CCEDRM
CCO[C@@H]1C[C@@](NCC(=O)NCCC#N)(C(=O)[O-])C1(C)C	ZINC001596833735	985470780	/nfs/dbraw/zinc/47/07/80/985470780.db2.gz	PXHBCGNEQOFEKZ-QMTHXVAHSA-N	-1	0	297.355	0.264	20	30		CCEDRM
CCO[C@H]1C[C@@H]1C(=O)N1CCC(C#N)(C(=O)[O-])CC1	ZINC001596845983	985547568	/nfs/dbraw/zinc/54/75/68/985547568.db2.gz	GZZFMGVTDHYKIM-UWVGGRQHSA-N	-1	0	266.297	0.628	20	30		CCEDRM
C[C@H]1CN(C(=O)[C@H]2CC[C@@H](C(=O)[O-])O2)C[C@H](C)N1CC#N	ZINC001594484656	985547996	/nfs/dbraw/zinc/54/79/96/985547996.db2.gz	CFZCKMXQKYVUAZ-YFKTTZPYSA-N	-1	0	295.339	0.063	20	30		CCEDRM
CCOC[C@@H](C(=O)[O-])N(C)C(=O)CC1(C#N)CC1	ZINC001596873198	985716349	/nfs/dbraw/zinc/71/63/49/985716349.db2.gz	WJPNXWQEJSKIAP-VIFPVBQESA-N	-1	0	254.286	0.628	20	30		CCEDRM
Cc1c(C(=O)N[C@@H](CCF)C(=O)[O-])cnn1CCC#N	ZINC001599979572	986144272	/nfs/dbraw/zinc/14/42/72/986144272.db2.gz	DFCZFVDUIJCEMN-JTQLQIEISA-N	-1	0	282.275	0.648	20	30		CCEDRM
C[C@H](C#N)C(=O)N1[C@@H](C)SC[C@@H]1C(=O)NCCC(=O)[O-]	ZINC001589323565	986146724	/nfs/dbraw/zinc/14/67/24/986146724.db2.gz	FRTGJLFUGKGMTA-IWSPIJDZSA-N	-1	0	299.352	0.027	20	30		CCEDRM
C[C@H](C#N)C(=O)N(C)[C@@H](C)CNc1ccnc(C(=O)[O-])n1	ZINC001589323828	986151090	/nfs/dbraw/zinc/15/10/90/986151090.db2.gz	OPDXYMRDVUDOIY-BDAKNGLRSA-N	-1	0	291.311	0.015	20	30		CCEDRM
C[C@@H](C#N)C(=O)N[C@@H]1CCOC2(CC(C(=O)[O-])C2)C1	ZINC001589328388	986156627	/nfs/dbraw/zinc/15/66/27/986156627.db2.gz	AVOFTNRXSATGSY-CUYBNKCWSA-N	-1	0	266.297	0.675	20	30		CCEDRM
C[C@@H](C#N)CN(C)C(=O)C(=O)N1CC[C@@H](C(=O)[O-])[C@@H](C)C1	ZINC001589330090	986170347	/nfs/dbraw/zinc/17/03/47/986170347.db2.gz	YDURGIMDCYUUAH-GARJFASQSA-N	-1	0	295.339	0.174	20	30		CCEDRM
C[C@H](C#N)CNC(=O)N1CC[C@@H](C(=O)[O-])[C@@H](C)C1	ZINC001589330838	986179391	/nfs/dbraw/zinc/17/93/91/986179391.db2.gz	RRZFVQQZXGSQSA-KXUCPTDWSA-N	-1	0	253.302	0.898	20	30		CCEDRM
C[C@H](C#N)N(C)S(=O)(=O)c1cccc(CC(=O)[O-])c1	ZINC001589331344	986184262	/nfs/dbraw/zinc/18/42/62/986184262.db2.gz	BKHNVOXBYMROGZ-SECBINFHSA-N	-1	0	282.321	0.846	20	30		CCEDRM
C[C@H](C#N)OCCOC(=O)Cn1cc(C(=O)[O-])cn1	ZINC001589331974	986194510	/nfs/dbraw/zinc/19/45/10/986194510.db2.gz	UYORVSAEXPHAAO-MRVPVSSYSA-N	-1	0	267.241	0.053	20	30		CCEDRM
C[C@H](C(=O)N(C)C1(C(=O)[O-])CCCC1)n1cnc(C#N)n1	ZINC001589335622	986211372	/nfs/dbraw/zinc/21/13/72/986211372.db2.gz	AXQUMEWRLNKAOT-SECBINFHSA-N	-1	0	291.311	0.567	20	30		CCEDRM
C[C@@H](C(=O)N[C@H](CC(C)(C)C)C(=O)[O-])n1cnc(C#N)n1	ZINC001589384821	986471304	/nfs/dbraw/zinc/47/13/04/986471304.db2.gz	ALSWDDUXBMPQPJ-DTWKUNHWSA-N	-1	0	293.327	0.716	20	30		CCEDRM
C[C@H](C(=O)N[C@H]1CCC[C@H]1C(=O)[O-])n1cnc(C#N)n1	ZINC001589424168	986689135	/nfs/dbraw/zinc/68/91/35/986689135.db2.gz	ZPHVGHCYIAHYEH-HLTSFMKQSA-N	-1	0	277.284	0.080	20	30		CCEDRM
CC[C@H](C#N)C(=O)N[C@H](Cc1cncs1)C(=O)[O-]	ZINC001594722197	987210256	/nfs/dbraw/zinc/21/02/56/987210256.db2.gz	LHHIEJWNJGOWGP-VXNVDRBHSA-N	-1	0	267.310	0.805	20	30		CCEDRM
CC[S@@](=O)CC(=O)O[C@@H](C(=O)[O-])c1ccc(C#N)cc1	ZINC001597250554	987235913	/nfs/dbraw/zinc/23/59/13/987235913.db2.gz	SFKLGDZJGLDJNN-MPBGBICISA-N	-1	0	295.316	0.996	20	30		CCEDRM
C[C@H](C(=O)O[C@@H](C)CC(=O)[O-])n1cnc(C#N)n1	ZINC001589546273	987267259	/nfs/dbraw/zinc/26/72/59/987267259.db2.gz	FCNPMYYJVGZMNT-NKWVEPMBSA-N	-1	0	252.230	0.117	20	30		CCEDRM
CC(C)(C)C#CC(=O)NC1(C(=O)[O-])CC(CO)C1	ZINC001589685175	987725367	/nfs/dbraw/zinc/72/53/67/987725367.db2.gz	UQKCMAWMYWMNLR-UHFFFAOYSA-N	-1	0	253.298	0.378	20	30		CCEDRM
C[C@@H]1CN(c2cnc(C#N)c(C#N)n2)C[C@H]1CC(=O)[O-]	ZINC001599868985	989318023	/nfs/dbraw/zinc/31/80/23/989318023.db2.gz	OAKOJEDOUACBPX-RKDXNWHRSA-N	-1	0	271.280	0.767	20	30		CCEDRM
C[C@@H]1C[C@H](C(=O)N2CC[C@@](C)(C#N)C2)O[C@H]1C(=O)[O-]	ZINC001599873268	989382638	/nfs/dbraw/zinc/38/26/38/989382638.db2.gz	JFGFXCJNEOUUME-PRFIWBCESA-N	-1	0	266.297	0.627	20	30		CCEDRM
CN(C(=O)c1ccc(C#N)[nH]1)[C@@H](COC1CCC1)C(=O)[O-]	ZINC001598083153	990407516	/nfs/dbraw/zinc/40/75/16/990407516.db2.gz	LVYYRPXJIFTPND-LBPRGKRZSA-N	-1	0	291.307	0.981	20	30		CCEDRM
CN(C(C)(C)CC(=O)[O-])S(=O)(=O)CCCC#N	ZINC001598106828	990489768	/nfs/dbraw/zinc/48/97/68/990489768.db2.gz	VDVFHHPEOPUAJD-UHFFFAOYSA-N	-1	0	262.331	0.805	20	30		CCEDRM
CC(C)[C@@](C)(C#N)NC(=O)CN1CCOC[C@H]1CC(=O)[O-]	ZINC001590961161	991056554	/nfs/dbraw/zinc/05/65/54/991056554.db2.gz	MTORSKPVSKVHAB-BXUZGUMPSA-N	-1	0	297.355	0.216	20	30		CCEDRM
CN(C)c1ccc(C(=O)N(CC#N)CC(=O)[O-])cc1C=O	ZINC001598307744	991277086	/nfs/dbraw/zinc/27/70/86/991277086.db2.gz	IQHRCCQOIXLXSF-UHFFFAOYSA-N	-1	0	289.291	0.615	20	30		CCEDRM
CN(CC#N)C1CCN(C(=O)[C@H]2C[C@H]2C(=O)[O-])CC1	ZINC001598376408	991566114	/nfs/dbraw/zinc/56/61/14/991566114.db2.gz	SSKAQUFZKABWPG-WDEREUQCSA-N	-1	0	265.313	0.153	20	30		CCEDRM
CN(CC(=O)N1CCC(C(=O)[O-])CC1)[C@@H]1CCC[C@H]1C#N	ZINC001598378892	991570410	/nfs/dbraw/zinc/57/04/10/991570410.db2.gz	GPHCTEAXUPPGIA-QWHCGFSZSA-N	-1	0	293.367	0.934	20	30		CCEDRM
COc1ncccc1C(=O)N1CCC(C#N)(C(=O)[O-])CC1	ZINC001599736579	991783809	/nfs/dbraw/zinc/78/38/09/991783809.db2.gz	BHSQSSWEFGDSST-UHFFFAOYSA-N	-1	0	289.291	0.921	20	30		CCEDRM
CN(CCC#N)C(=O)[C@H]1CC[C@@H](CCC(=O)[O-])O1	ZINC001598469205	991997811	/nfs/dbraw/zinc/99/78/11/991997811.db2.gz	VGBAVQROOVBOLZ-VHSXEESVSA-N	-1	0	254.286	0.771	20	30		CCEDRM
CN(CCc1cccc(C#N)c1)C(=O)[C@H]([NH3+])CCC(=O)[O-]	ZINC001598500190	992424474	/nfs/dbraw/zinc/42/44/74/992424474.db2.gz	KGNLAYRSCLCOHH-CYBMUJFWSA-N	-1	0	289.335	0.751	20	30		CCEDRM
CNC(=O)CC(=O)O[C@H](C(=O)[O-])c1cccc(C#N)c1	ZINC001598640031	994304176	/nfs/dbraw/zinc/30/41/76/994304176.db2.gz	REORLOCLOPJDHH-LBPRGKRZSA-N	-1	0	276.248	0.363	20	30		CCEDRM
COC(=O)[C@@H]1[C@H](CN(CC#N)CCC(=O)[O-])C1(F)F	ZINC001598746341	995597696	/nfs/dbraw/zinc/59/76/96/995597696.db2.gz	XWTLQBNKLOQALP-CBAPKCEASA-N	-1	0	276.239	0.341	20	30		CCEDRM
COC(=O)[C@@H]1CN(C(=O)CC(C)(C)C#N)C[C@@H]1C(=O)[O-]	ZINC001598805394	996181008	/nfs/dbraw/zinc/18/10/08/996181008.db2.gz	DFTZCAPQJZAGTH-DTWKUNHWSA-N	-1	0	282.296	0.258	20	30		CCEDRM
COC(=O)[C@H]1CN(C(=O)CCCCC#N)C[C@@H]1C(=O)[O-]	ZINC001598810868	996230252	/nfs/dbraw/zinc/23/02/52/996230252.db2.gz	MGKANVKUTYQKLA-UWVGGRQHSA-N	-1	0	282.296	0.403	20	30		CCEDRM
C[C@]1(C#N)CN(C(=O)c2c[nH]c(C(=O)[O-])c2)CCO1	ZINC001593743651	996370135	/nfs/dbraw/zinc/37/01/35/996370135.db2.gz	XPGCNJDRHSNXJG-LBPRGKRZSA-N	-1	0	263.253	0.468	20	30		CCEDRM
COC(=O)CN(CC(=O)[O-])Cc1cncc(C#N)c1	ZINC001598861924	996681963	/nfs/dbraw/zinc/68/19/63/996681963.db2.gz	VDYCTTUPSZCWGM-UHFFFAOYSA-N	-1	0	263.253	0.013	20	30		CCEDRM
COc1ccc(C(=O)[O-])cc1S(=O)(=O)N(C)[C@@H](C)C#N	ZINC001599501931	997139895	/nfs/dbraw/zinc/13/98/95/997139895.db2.gz	UDTWLCRWQWYPBP-QMMMGPOBSA-N	-1	0	298.320	0.926	20	30		CCEDRM
CON(C(=O)c1cnn(CCC#N)c1C)[C@@H](C)CC(=O)[O-]	ZINC001599311890	997430624	/nfs/dbraw/zinc/43/06/24/997430624.db2.gz	ANNSXKOOJHMGPI-VIFPVBQESA-N	-1	0	294.311	0.972	20	30		CCEDRM
COc1ccc([C@@H](NC(=O)[C@@H]2C[C@@H]2C#N)C(=O)[O-])cc1O	ZINC001599522423	997504313	/nfs/dbraw/zinc/50/43/13/997504313.db2.gz	QWVYVYOVWXGKPI-KBVBSXBZSA-N	-1	0	290.275	0.802	20	30		CCEDRM
COCC[C@H](NC(=O)CC1(C#N)CCOCC1)C(=O)[O-]	ZINC001599214268	997555681	/nfs/dbraw/zinc/55/56/81/997555681.db2.gz	CLOCJUGCRNTWKY-JTQLQIEISA-N	-1	0	284.312	0.303	20	30		CCEDRM
CON=CC(=O)N[C@H](C(=O)[O-])c1cc(F)ccc1F	ZINC001599320261	997568849	/nfs/dbraw/zinc/56/88/49/997568849.db2.gz	LLWBEHZAQSVWLA-JTQLQIEISA-N	-1	0	272.207	0.839	20	30		CCEDRM
CON=CC(=O)N[C@H]1CCSC2(CC(C(=O)[O-])C2)C1	ZINC001599321072	997582469	/nfs/dbraw/zinc/58/24/69/997582469.db2.gz	ZGVURXHCYOKOBV-XEVUQIKYSA-N	-1	0	286.353	0.864	20	30		CCEDRM
COc1cc(C#N)ccc1C(=O)N1CCO[C@@H](C(=O)[O-])C1	ZINC001599349613	998069752	/nfs/dbraw/zinc/06/97/52/998069752.db2.gz	XYTRAVDTUSTFCP-GFCCVEGCSA-N	-1	0	290.275	0.492	20	30		CCEDRM
COCC#CC(=O)Nc1ccc2[nH]nc(C(=O)[O-])c2c1	ZINC001599138034	998077455	/nfs/dbraw/zinc/07/74/55/998077455.db2.gz	GYKXVPDYIGBPRM-UHFFFAOYSA-N	-1	0	273.248	0.849	20	30		CCEDRM
COCC#CC(=O)N[C@H](CC(=O)[O-])c1ccc(OC)cc1	ZINC001599138072	998078575	/nfs/dbraw/zinc/07/85/75/998078575.db2.gz	HFJNMLYXTAWMOK-CYBMUJFWSA-N	-1	0	291.303	0.977	20	30		CCEDRM
COCC#CC(=O)N[C@@H](CC1CCOCC1)C(=O)[O-]	ZINC001599138089	998078950	/nfs/dbraw/zinc/07/89/50/998078950.db2.gz	HKJPJVZWBVBTFH-NSHDSACASA-N	-1	0	269.297	0.022	20	30		CCEDRM
COC[C@](C)(NC(=O)c1csc(C#N)c1)C(=O)[O-]	ZINC001599152656	998317583	/nfs/dbraw/zinc/31/75/83/998317583.db2.gz	HIUNRQUOMOEPNB-NSHDSACASA-N	-1	0	268.294	0.839	20	30		CCEDRM
COCC(COC)NN=C(C)c1cncc(C(=O)[O-])c1	ZINC001599167011	998557121	/nfs/dbraw/zinc/55/71/21/998557121.db2.gz	TYEGIMIIBUUOGF-UHFFFAOYSA-N	-1	0	281.312	0.755	20	30		CCEDRM
CC(C)(C#N)CNC(=O)c1ccc([N-]S(C)(=O)=O)nc1	ZINC000599745432	361803823	/nfs/dbraw/zinc/80/38/23/361803823.db2.gz	URKWFOBEBQVMGG-UHFFFAOYSA-N	-1	0	296.352	0.733	20	30		CCEDRM
C[C@@H](Oc1ccccc1C#N)C(=O)NCCOCC(=O)[O-]	ZINC000093227793	349533240	/nfs/dbraw/zinc/53/32/40/349533240.db2.gz	JNUZUYWUPZLGJP-SNVBAGLBSA-N	-1	0	292.291	0.543	20	30		CCEDRM
C=C(C)C[C@@H](N=c1ccc(C(=O)OC)n[n-]1)C(=O)OC	ZINC000601227724	362183928	/nfs/dbraw/zinc/18/39/28/362183928.db2.gz	REDWAQGSBMXKRQ-SNVBAGLBSA-N	-1	0	279.296	0.605	20	30		CCEDRM
COCCCO[N-]C(=O)C(=O)Nc1ccc(C#N)c(F)c1	ZINC000290557105	197749179	/nfs/dbraw/zinc/74/91/79/197749179.db2.gz	RRHKLZWWFOHEIN-UHFFFAOYSA-N	-1	0	295.270	0.720	20	30		CCEDRM
Cn1cc([C@@H]2C[C@H]2C(=O)N=c2[nH][n-]cc2C#N)cn1	ZINC000601637004	362334412	/nfs/dbraw/zinc/33/44/12/362334412.db2.gz	RZCLPTFAPROQAD-VHSXEESVSA-N	-1	0	256.269	0.179	20	30		CCEDRM
Cn1cc(C(C)(C)C(=O)N=c2[nH][n-]cc2C#N)cn1	ZINC000601637967	362335348	/nfs/dbraw/zinc/33/53/48/362335348.db2.gz	CTVSKKSGYMSZKU-UHFFFAOYSA-N	-1	0	258.285	0.353	20	30		CCEDRM
C[C@H](C(=O)N=c1[nH][n-]cc1C#N)N1CCCCCC1	ZINC000601639066	362335436	/nfs/dbraw/zinc/33/54/36/362335436.db2.gz	GXFIKRXLICFPFL-SNVBAGLBSA-N	-1	0	261.329	0.906	20	30		CCEDRM
N#Cc1c(C2CC2)[n-][nH]c1=NC(=O)C1=CCOCC1	ZINC000601739427	362375438	/nfs/dbraw/zinc/37/54/38/362375438.db2.gz	VHTMZKQDMFXEFO-UHFFFAOYSA-N	-1	0	258.281	0.866	20	30		CCEDRM
CCCN(CC)C(=O)CCn1cc(C#N)c(=O)[n-]c1=O	ZINC000602056085	362469231	/nfs/dbraw/zinc/46/92/31/362469231.db2.gz	MBSJLBBDUIXZCE-UHFFFAOYSA-N	-1	0	278.312	0.469	20	30		CCEDRM
C[C@@H]1[C@@H](C)CCN1C(=O)Cn1cc(C#N)c(=O)[n-]c1=O	ZINC000602117453	362498551	/nfs/dbraw/zinc/49/85/51/362498551.db2.gz	QTRADHUMBPABOY-DTWKUNHWSA-N	-1	0	276.296	0.077	20	30		CCEDRM
CC[C@H]1[C@@H](C)CCN1C(=O)Cn1cc(C#N)c(=O)[n-]c1=O	ZINC000602136705	362515642	/nfs/dbraw/zinc/51/56/42/362515642.db2.gz	BBSSWSXUIZKTGL-ONGXEEELSA-N	-1	0	290.323	0.468	20	30		CCEDRM
N#Cc1ccc(C(=O)[N-]S(=O)(=O)CC(F)(F)F)o1	ZINC000796926204	581365491	/nfs/dbraw/zinc/36/54/91/581365491.db2.gz	AAPUEOMFAFMFDO-UHFFFAOYSA-N	-1	0	282.199	0.773	20	30		CCEDRM
C[C@H]1C[C@H](C(=O)[O-])CN(S(=O)(=O)c2ccc(C#N)o2)C1	ZINC000263282149	137062491	/nfs/dbraw/zinc/06/24/91/137062491.db2.gz	XLEGQIAKPVNSTB-IUCAKERBSA-N	-1	0	298.320	0.883	20	30		CCEDRM
Cc1cc(C#N)cc(NC(=O)NC[C@@](C)(O)C(=O)[O-])c1	ZINC000263353839	137064606	/nfs/dbraw/zinc/06/46/06/137064606.db2.gz	QVKSUQWSLHJAIM-CYBMUJFWSA-N	-1	0	277.280	0.824	20	30		CCEDRM
Cc1noc(C[N-]S(=O)(=O)c2cncc(C#N)c2)n1	ZINC000311518062	137075190	/nfs/dbraw/zinc/07/51/90/137075190.db2.gz	CLIRVDAZDYUWHG-UHFFFAOYSA-N	-1	0	279.281	0.123	20	30		CCEDRM
N#Cc1ccc(S(=O)(=O)[N-]c2ncccn2)o1	ZINC000342473745	137095924	/nfs/dbraw/zinc/09/59/24/137095924.db2.gz	DFUFVWQDQJMCAY-UHFFFAOYSA-N	-1	0	250.239	0.742	20	30		CCEDRM
C[C@@H](N(C)C(=O)N=c1[n-]n(C)cc1C#N)C(C)(C)O	ZINC000602883912	362863447	/nfs/dbraw/zinc/86/34/47/362863447.db2.gz	ZCSDHMSORUPMTD-MRVPVSSYSA-N	-1	0	265.317	0.337	20	30		CCEDRM
C[C@H]1[C@@H](O)CCCN1C(=O)N=c1[n-]n(C)cc1C#N	ZINC000602878757	362859578	/nfs/dbraw/zinc/85/95/78/362859578.db2.gz	AAQZJMXQHBUMMH-WPRPVWTQSA-N	-1	0	263.301	0.091	20	30		CCEDRM
C[C@@H](NC(=O)c1n[nH]c(=O)[n-]1)c1ccc(C#N)cc1	ZINC000048733810	348423983	/nfs/dbraw/zinc/42/39/83/348423983.db2.gz	KGJUONNEDBWXEY-SSDOTTSWSA-N	-1	0	257.253	0.461	20	30		CCEDRM
C[C@H](C(=O)[O-])N(C)S(=O)(=O)Cc1cccc(C#N)c1	ZINC000054053539	348539490	/nfs/dbraw/zinc/53/94/90/348539490.db2.gz	QYUVMHQMUYISGR-SECBINFHSA-N	-1	0	282.321	0.793	20	30		CCEDRM
N#Cc1cc(S(=O)(=O)N[C@H](C(=O)[O-])C2CC2)ccc1F	ZINC000071238909	348905950	/nfs/dbraw/zinc/90/59/50/348905950.db2.gz	HKMDXKLJHYWVPB-NSHDSACASA-N	-1	0	298.295	0.839	20	30		CCEDRM
N#CCSc1cccc(C(=O)NCc2n[nH]c(=O)[n-]2)c1	ZINC000080035420	349198281	/nfs/dbraw/zinc/19/82/81/349198281.db2.gz	VKEIVHAGCYJLAS-UHFFFAOYSA-N	-1	0	289.320	0.644	20	30		CCEDRM
N#Cc1ccc(OCC(=O)N2CCOC[C@H]2C(=O)[O-])cc1	ZINC000088375144	349365521	/nfs/dbraw/zinc/36/55/21/349365521.db2.gz	CJVNAGRPWVGPHB-LBPRGKRZSA-N	-1	0	290.275	0.249	20	30		CCEDRM
CCc1nnc(N2CCO[C@H](C(=O)[O-])C2)c(C#N)c1CC	ZINC000124815564	350108514	/nfs/dbraw/zinc/10/85/14/350108514.db2.gz	ZWRSINRUBDTZSF-LBPRGKRZSA-N	-1	0	290.323	0.763	20	30		CCEDRM
Cn1nccc1S(=O)(=O)[N-]c1ccc(C#N)cn1	ZINC000128095184	350185933	/nfs/dbraw/zinc/18/59/33/350185933.db2.gz	GHUWNGNHDPNNIG-UHFFFAOYSA-N	-1	0	263.282	0.488	20	30		CCEDRM
C=CCN(C(=O)Cn1cc(C(=O)[O-])nn1)C1CC1	ZINC000165791020	350792935	/nfs/dbraw/zinc/79/29/35/350792935.db2.gz	ARHRRWKHUKVXDF-UHFFFAOYSA-N	-1	0	250.258	0.153	20	30		CCEDRM
Cc1cc(C#N)ccc1S(=O)(=O)N1CC(C(=O)[O-])C1	ZINC000230107083	352103063	/nfs/dbraw/zinc/10/30/63/352103063.db2.gz	ZVKPTXLNWQRODX-UHFFFAOYSA-N	-1	0	280.305	0.572	20	30		CCEDRM
Cc1nsc(N(C)Cc2nc(=O)o[n-]2)c1C#N	ZINC000603394224	363108850	/nfs/dbraw/zinc/10/88/50/363108850.db2.gz	WBDMABJEFXCIKP-UHFFFAOYSA-N	-1	0	251.271	0.636	20	30		CCEDRM
Cc1cc(S(=O)(=O)[N-]c2nnc[nH]2)ccc1C#N	ZINC000235906655	352189737	/nfs/dbraw/zinc/18/97/37/352189737.db2.gz	KRLBAIPOZDYKGO-UHFFFAOYSA-N	-1	0	263.282	0.786	20	30		CCEDRM
CC(C)[C@](C)(C#N)NC(=O)[C@@H](C)Sc1n[n-]c(=N)n1C	ZINC000603496799	363139601	/nfs/dbraw/zinc/13/96/01/363139601.db2.gz	BZKRLJMXFYZAOR-PELKAZGASA-N	-1	0	296.400	0.763	20	30		CCEDRM
N#Cc1nc(NC(=O)CCn2ccccc2=O)[n-]c1C#N	ZINC000603873343	363164348	/nfs/dbraw/zinc/16/43/48/363164348.db2.gz	SYQOPMIJNGWCOG-UHFFFAOYSA-N	-1	0	282.263	0.344	20	30		CCEDRM
COCCS(=O)(=O)[N-]C(=O)/C=C\c1cccc(C#N)c1	ZINC000255624642	352544835	/nfs/dbraw/zinc/54/48/35/352544835.db2.gz	XIZXLXGNCPNYGE-WAYWQWQTSA-N	-1	0	294.332	0.664	20	30		CCEDRM
C=CC[C@H](NS(=O)(=O)N(C)CCC)C(=O)[O-]	ZINC000274945461	353174831	/nfs/dbraw/zinc/17/48/31/353174831.db2.gz	RQMNBJJHSHFLFC-QMMMGPOBSA-N	-1	0	250.320	0.192	20	30		CCEDRM
CC#CC[C@@H](NS(=O)(=O)c1ccnn1CC)C(=O)[O-]	ZINC000274974947	353177013	/nfs/dbraw/zinc/17/70/13/353177013.db2.gz	JAIIXNUJDNTUPE-SECBINFHSA-N	-1	0	285.325	0.048	20	30		CCEDRM
C[C@@H](CC(=O)[O-])NS(=O)(=O)c1cncc(C#N)c1	ZINC000290425529	353726769	/nfs/dbraw/zinc/72/67/69/353726769.db2.gz	AMWUTNFNVIHOMW-ZETCQYMHSA-N	-1	0	269.282	0.095	20	30		CCEDRM
CCOC(=O)[C@@H](C)[C@H](C)NC(=O)N=c1[n-]n(C)cc1C#N	ZINC000619203982	366216170	/nfs/dbraw/zinc/21/61/70/366216170.db2.gz	MSEUQIGLPUXKSG-IUCAKERBSA-N	-1	0	293.327	0.423	20	30		CCEDRM
Cn1cc([N-]S(=O)(=O)c2ccc(C#N)s2)nn1	ZINC000359467948	137951552	/nfs/dbraw/zinc/95/15/52/137951552.db2.gz	NSMNEIADHRHEGN-UHFFFAOYSA-N	-1	0	269.311	0.549	20	30		CCEDRM
C[C@@H](NS(=O)(=O)Cc1cc(C#N)ccc1F)C(=O)[O-]	ZINC000362112439	138047107	/nfs/dbraw/zinc/04/71/07/138047107.db2.gz	RCHNRNUDYIUKFJ-SSDOTTSWSA-N	-1	0	286.284	0.590	20	30		CCEDRM
N#CC[C@H](CC(=O)N=c1cc(C(N)=O)[n-][nH]1)c1ccccc1	ZINC000619440364	366252775	/nfs/dbraw/zinc/25/27/75/366252775.db2.gz	YKBZIOQPOXIBMG-LLVKDONJSA-N	-1	0	297.318	0.957	20	30		CCEDRM
Cn1cc(C#N)c(=NC(=O)NCC2(CC#N)CC2)[n-]1	ZINC000619537018	366277811	/nfs/dbraw/zinc/27/78/11/366277811.db2.gz	VQWOIQXKELIUAC-UHFFFAOYSA-N	-1	0	258.285	0.529	20	30		CCEDRM
C=C(C)[C@@H](CC(=O)N=c1ccc(C(=O)OC)n[n-]1)OCC	ZINC000619601560	366294331	/nfs/dbraw/zinc/29/43/31/366294331.db2.gz	WXEFMBRHHRELMU-LLVKDONJSA-N	-1	0	293.323	0.995	20	30		CCEDRM
COCCN(CCC#N)Cc1cc(=O)n2[n-]ccc2n1	ZINC000610391675	363554069	/nfs/dbraw/zinc/55/40/69/363554069.db2.gz	GALKDRANNPSWAG-UHFFFAOYSA-N	-1	0	275.312	0.385	20	30		CCEDRM
Cn1cc(C#N)c(=NC(=O)NCCCOCC2CC2)[n-]1	ZINC000610528073	363572670	/nfs/dbraw/zinc/57/26/70/363572670.db2.gz	LOINPRNDDWTKBR-UHFFFAOYSA-N	-1	0	277.328	0.652	20	30		CCEDRM
Cc1nc(CNC(=O)N=c2[n-]n(C)cc2C#N)cs1	ZINC000610562904	363577644	/nfs/dbraw/zinc/57/76/44/363577644.db2.gz	KHHUBKGWHFDULF-UHFFFAOYSA-N	-1	0	276.325	0.800	20	30		CCEDRM
Cn1cc(C#N)c(=NC(=O)N[C@@H]2CCCc3c2cnn3C)[n-]1	ZINC000610561986	363576324	/nfs/dbraw/zinc/57/63/24/363576324.db2.gz	GTDCADYTDBTITN-LLVKDONJSA-N	-1	0	299.338	0.646	20	30		CCEDRM
C[C@@]1(C(=O)[N-]S(=O)(=O)c2cccc(C#N)c2)CCOC1	ZINC000408453212	358102037	/nfs/dbraw/zinc/10/20/37/358102037.db2.gz	RFZFBXBWCXWOLG-CYBMUJFWSA-N	-1	0	294.332	0.790	20	30		CCEDRM
C=CCOC[C@H](NC(=O)NC1CC=CC1)C(=O)[O-]	ZINC000684735212	545730662	/nfs/dbraw/zinc/73/06/62/545730662.db2.gz	JFFGWDBWXSCTNX-JTQLQIEISA-N	-1	0	254.286	0.660	20	30		CCEDRM
C=CCN(C)C(=O)N=c1nc2nc(C)cc(C)n2[n-]1	ZINC000426071877	358216709	/nfs/dbraw/zinc/21/67/09/358216709.db2.gz	JRQKJVUMQKUSJT-UHFFFAOYSA-N	-1	0	260.301	0.813	20	30		CCEDRM
C#CCCS(=O)(=O)[N-]C(=O)/C=C/c1cncc(OC)c1	ZINC000493850180	358311802	/nfs/dbraw/zinc/31/18/02/358311802.db2.gz	GISPYAMVXYJXAB-AATRIKPKSA-N	-1	0	294.332	0.573	20	30		CCEDRM
N#Cc1cn(C2CN(C(=O)C3CCC3)C2)c(=O)[n-]c1=O	ZINC000530268076	358387982	/nfs/dbraw/zinc/38/79/82/358387982.db2.gz	RSAKXSQQFOUHLY-UHFFFAOYSA-N	-1	0	274.280	0.004	20	30		CCEDRM
N#CCC1(CS(=O)(=O)N2CC[C@H](CC(=O)[O-])C2)CC1	ZINC000563225085	358557108	/nfs/dbraw/zinc/55/71/08/358557108.db2.gz	HESYDRSFYPQKSC-SNVBAGLBSA-N	-1	0	286.353	0.807	20	30		CCEDRM
C=C(C)CS(=O)(=O)N1CC[C@H](C)[C@H](C(=O)[O-])C1	ZINC000572121721	358927466	/nfs/dbraw/zinc/92/74/66/358927466.db2.gz	NXRNFDGORBJKPR-VHSXEESVSA-N	-1	0	261.343	0.935	20	30		CCEDRM
C[C@@H](CCNS(=O)(=O)N(C)[C@@H](C)CC#N)CC(=O)[O-]	ZINC000574457404	359039379	/nfs/dbraw/zinc/03/93/79/359039379.db2.gz	OIHYUJJGXPKYQF-UWVGGRQHSA-N	-1	0	291.373	0.556	20	30		CCEDRM
C=CCOC[C@@H](NC(=O)[C@@H]1CCO[C@@H]1C(=C)C)C(=O)[O-]	ZINC000584612376	359179839	/nfs/dbraw/zinc/17/98/39/359179839.db2.gz	UDADDNCMXGAJSK-IJLUTSLNSA-N	-1	0	283.324	0.740	20	30		CCEDRM
C[C@@H]1COCCCN1C(=O)N=c1[n-]n(C)cc1C#N	ZINC000610949310	363636907	/nfs/dbraw/zinc/63/69/07/363636907.db2.gz	CONIUJFEBKEHOS-SECBINFHSA-N	-1	0	263.301	0.356	20	30		CCEDRM
C[C@@H](O)C[C@@H]1CCCN1C(=O)N=c1[n-]n(C)cc1C#N	ZINC000611050230	363653821	/nfs/dbraw/zinc/65/38/21/363653821.db2.gz	QINUCSKBBVVHSV-KOLCDFICSA-N	-1	0	277.328	0.481	20	30		CCEDRM
Cn1cc(C#N)c(=NC(=O)N2CC3(C2)CCOCC3)[n-]1	ZINC000590121337	359425358	/nfs/dbraw/zinc/42/53/58/359425358.db2.gz	FGMRSMHJSXWTME-UHFFFAOYSA-N	-1	0	275.312	0.358	20	30		CCEDRM
N#Cc1cccc(C=CC(=O)NC2(c3nnn[n-]3)CC2)c1	ZINC000491995796	237047243	/nfs/dbraw/zinc/04/72/43/237047243.db2.gz	XEAWMGIDOGMPLG-PLNGDYQASA-N	-1	0	280.291	0.890	20	30		CCEDRM
CCO[C@@H]1CCC[C@H]1NC(=O)N=c1[n-]n(C)cc1C#N	ZINC000590822544	359526918	/nfs/dbraw/zinc/52/69/18/359526918.db2.gz	YXVNXWSWJVLRED-GHMZBOCLSA-N	-1	0	277.328	0.793	20	30		CCEDRM
Cn1cc(C#N)c(=NC(=O)N[C@H]2CCOC2(C)C)[n-]1	ZINC000590819436	359527671	/nfs/dbraw/zinc/52/76/71/359527671.db2.gz	JYNUJAHFJJDSPZ-VIFPVBQESA-N	-1	0	263.301	0.403	20	30		CCEDRM
Cc1nsc(N2CCO[C@H](C(=O)[O-])C2)c1C#N	ZINC000591325399	359577624	/nfs/dbraw/zinc/57/76/24/359577624.db2.gz	NIMWWUXFLAVQTC-QMMMGPOBSA-N	-1	0	253.283	0.613	20	30		CCEDRM
COC(=O)c1ccc(=NC(=O)NCC2(C#N)CCC2)[n-]n1	ZINC000591341960	359579589	/nfs/dbraw/zinc/57/95/89/359579589.db2.gz	FDELHYQHCKNIEZ-UHFFFAOYSA-N	-1	0	289.295	0.500	20	30		CCEDRM
COCCN(CC(=O)[O-])S(=O)(=O)CC(C)(C)CC#N	ZINC000591350416	359580887	/nfs/dbraw/zinc/58/08/87/359580887.db2.gz	VQCICYLVELWFCJ-UHFFFAOYSA-N	-1	0	292.357	0.289	20	30		CCEDRM
N#Cc1c2c(cnc1NCc1n[nH]c(=O)[n-]1)CCC2	ZINC000591821662	359662311	/nfs/dbraw/zinc/66/23/11/359662311.db2.gz	ORPSMQFQDFCVKK-UHFFFAOYSA-N	-1	0	256.269	0.878	20	30		CCEDRM
N#Cc1cccc(/C=C/C(=O)NCc2n[n-]c(=N)o2)c1	ZINC000492689805	237266101	/nfs/dbraw/zinc/26/61/01/237266101.db2.gz	OADHJQRRRPRIAV-SNAWJCMRSA-N	-1	0	269.264	0.683	20	30		CCEDRM
Cn1cc(C#N)c(=NC(=O)N[C@@H](CO)CC(F)(F)F)[n-]1	ZINC000611141003	363664318	/nfs/dbraw/zinc/66/43/18/363664318.db2.gz	XHANHPNIOVVPHX-SSDOTTSWSA-N	-1	0	291.233	0.148	20	30		CCEDRM
CC[C@H](CCNS(=O)(=O)c1cncc(C#N)c1)C(=O)[O-]	ZINC000297324100	200148565	/nfs/dbraw/zinc/14/85/65/200148565.db2.gz	XEKFLILZYSMGFU-SNVBAGLBSA-N	-1	0	297.336	0.732	20	30		CCEDRM
N#C[C@]1(F)CCN(C(=O)NCC2(C(=O)[O-])CCOCC2)C1	ZINC000592210940	359799212	/nfs/dbraw/zinc/79/92/12/359799212.db2.gz	MAABWBUIABDUOI-CYBMUJFWSA-N	-1	0	299.302	0.515	20	30		CCEDRM
N#C[C@@]1(F)CCN(C(=O)N[C@H]2CC[C@@H](C(=O)[O-])C2)C1	ZINC000592215564	359802422	/nfs/dbraw/zinc/80/24/22/359802422.db2.gz	QXQGGZDIPSXIEF-PTRXPTGYSA-N	-1	0	269.276	0.887	20	30		CCEDRM
CC[C@@H]1CC[C@@H](C(=O)[O-])N1S(=O)(=O)N(C)CCC#N	ZINC000592448260	359842923	/nfs/dbraw/zinc/84/29/23/359842923.db2.gz	NAJXPFZHTKDIKS-ZJUUUORDSA-N	-1	0	289.357	0.404	20	30		CCEDRM
CCC1(CO)CCN(C(=O)N=c2[n-]n(C)cc2C#N)CC1	ZINC000611201511	363680808	/nfs/dbraw/zinc/68/08/08/363680808.db2.gz	FZTRGWNSJVXBLA-UHFFFAOYSA-N	-1	0	291.355	0.730	20	30		CCEDRM
Cn1cc(C#N)c(=NC(=O)N2CCOC3(CCC3)C2)[n-]1	ZINC000611228351	363688012	/nfs/dbraw/zinc/68/80/12/363688012.db2.gz	NSPMLUFINNJAJZ-UHFFFAOYSA-N	-1	0	275.312	0.500	20	30		CCEDRM
Cc1c(C#N)c(=NC(=O)[C@@H](C)OC[C@@H]2CCCO2)[n-]n1C	ZINC000592647328	359908066	/nfs/dbraw/zinc/90/80/66/359908066.db2.gz	TYCRTZQIUUYQBX-MNOVXSKESA-N	-1	0	292.339	0.545	20	30		CCEDRM
Cc1c(C#N)c(=NC(=O)[C@@H](C)OC[C@H]2CCCO2)[n-]n1C	ZINC000592647327	359908316	/nfs/dbraw/zinc/90/83/16/359908316.db2.gz	TYCRTZQIUUYQBX-GHMZBOCLSA-N	-1	0	292.339	0.545	20	30		CCEDRM
Cc1c(C#N)c(=NC(=O)[C@@H](C)c2cnn(C)c2)[n-]n1C	ZINC000592649863	359909284	/nfs/dbraw/zinc/90/92/84/359909284.db2.gz	BCZXELDSNGWVAY-QMMMGPOBSA-N	-1	0	272.312	0.498	20	30		CCEDRM
Cc1c(C#N)c(=NC(=O)c2ccc(N3CCC3)nc2)[n-]n1C	ZINC000592651658	359909315	/nfs/dbraw/zinc/90/93/15/359909315.db2.gz	TWEMNXMOPCTZCH-UHFFFAOYSA-N	-1	0	296.334	0.880	20	30		CCEDRM
C[C@@H]1C[C@H](CNC(=O)N=c2[n-]n(C)cc2C#N)CCO1	ZINC000611303352	363704650	/nfs/dbraw/zinc/70/46/50/363704650.db2.gz	XUIRMNIIPUXGBN-NXEZZACHSA-N	-1	0	277.328	0.650	20	30		CCEDRM
N#CC1(CC(=O)N2CCC[C@@H](c3n[nH]c(=O)[n-]3)C2)CC1	ZINC000592796963	359939023	/nfs/dbraw/zinc/93/90/23/359939023.db2.gz	SXYCLXGSIXKWMG-SECBINFHSA-N	-1	0	275.312	0.910	20	30		CCEDRM
N#CC[C@@]1(O)CCN(C(=O)c2c(O)cccc2O)C1	ZINC000592948836	359992721	/nfs/dbraw/zinc/99/27/21/359992721.db2.gz	CLNHYFUYQKAKRM-CYBMUJFWSA-N	-1	0	262.265	0.588	20	30		CCEDRM
C[C@@H](CCC(=O)[O-])NS(=O)(=O)CC1(CC#N)CC1	ZINC000593256538	360056565	/nfs/dbraw/zinc/05/65/65/360056565.db2.gz	KDWIHNURTCWUSX-VIFPVBQESA-N	-1	0	274.342	0.853	20	30		CCEDRM
C=CCCn1cc(C[S@@](=O)[C@@H](C)C(=O)[O-])nn1	ZINC000593931874	360219287	/nfs/dbraw/zinc/21/92/87/360219287.db2.gz	NQIAJSMIQBHAGJ-WNWIJWBNSA-N	-1	0	257.315	0.576	20	30		CCEDRM
Cc1nc(=NC(=O)[C@@H](N)CCCCC#N)s[n-]1	ZINC000594468512	360320377	/nfs/dbraw/zinc/32/03/77/360320377.db2.gz	NSCUFHSIZAYCBX-QMMMGPOBSA-N	-1	0	253.331	0.618	20	30		CCEDRM
Cc1cc(C#N)cc(NC(=O)C(=O)NC[C@H](C)C(=O)[O-])c1	ZINC000594527290	360326255	/nfs/dbraw/zinc/32/62/55/360326255.db2.gz	JVDKDAXJXIDLJU-VIFPVBQESA-N	-1	0	289.291	0.642	20	30		CCEDRM
Cc1ccc(C#N)cc1NC(=O)C(=O)NC[C@@H](C)C(=O)[O-]	ZINC000594528522	360326555	/nfs/dbraw/zinc/32/65/55/360326555.db2.gz	UKUANUDBHBNAHE-SECBINFHSA-N	-1	0	289.291	0.642	20	30		CCEDRM
CO[C@@H]1[C@@H](C)[C@@H](NC(=O)N=c2[n-]n(C)cc2C#N)C1(C)C	ZINC000611433272	363718332	/nfs/dbraw/zinc/71/83/32/363718332.db2.gz	WNUBRQSGVDRHFB-JMJZKYOTSA-N	-1	0	291.355	0.895	20	30		CCEDRM
N#CCN1CCC(NS(=O)(=O)c2ccccc2[O-])CC1	ZINC000594753393	360376024	/nfs/dbraw/zinc/37/60/24/360376024.db2.gz	AJDYXUFOAZLXOG-UHFFFAOYSA-N	-1	0	295.364	0.658	20	30		CCEDRM
C=CCCS(=O)(=O)NCCSCC(=O)[O-]	ZINC000275043027	192889410	/nfs/dbraw/zinc/88/94/10/192889410.db2.gz	RIJYNRHAHWNICK-UHFFFAOYSA-N	-1	0	253.345	0.300	20	30		CCEDRM
CC(C)(C#N)C[N-]S(=O)(=O)c1ncccc1[N+](=O)[O-]	ZINC000594774024	360380684	/nfs/dbraw/zinc/38/06/84/360380684.db2.gz	VSZCEGCQZMHTCU-UHFFFAOYSA-N	-1	0	284.297	0.818	20	30		CCEDRM
CC(C)(C#N)CNC(=O)N1C[C@@H]2COC[C@]2(C(=O)[O-])C1	ZINC000595261181	360464108	/nfs/dbraw/zinc/46/41/08/360464108.db2.gz	VALPKIBJDPZHSG-NOZJJQNGSA-N	-1	0	281.312	0.279	20	30		CCEDRM
N#CCCn1ccc(=NC(=O)NCC2(C(=O)[O-])CCC2)[nH]1	ZINC000596059509	360784466	/nfs/dbraw/zinc/78/44/66/360784466.db2.gz	PHMYKPAHNJKEDP-UHFFFAOYSA-N	-1	0	291.311	0.595	20	30		CCEDRM
N#CCCCS(=O)(=O)NC[C@H](C(=O)[O-])C1CCC1	ZINC000596025893	360777899	/nfs/dbraw/zinc/77/78/99/360777899.db2.gz	DFELOIJAWVDJSU-JTQLQIEISA-N	-1	0	274.342	0.710	20	30		CCEDRM
N#Cc1cccc(/C=C\C(=O)[N-]S(=O)(=O)C2COC2)c1	ZINC000493599605	238235165	/nfs/dbraw/zinc/23/51/65/238235165.db2.gz	UFSFSBMWMCPTCX-PLNGDYQASA-N	-1	0	292.316	0.416	20	30		CCEDRM
C[C@@H](C#N)N(C(=O)CSc1n[nH]c(=O)[n-]1)C1CC1	ZINC000598137917	361341574	/nfs/dbraw/zinc/34/15/74/361341574.db2.gz	PGEQDNRHNQAIIU-LURJTMIESA-N	-1	0	267.314	0.505	20	30		CCEDRM
COC(=O)c1cc(S(=O)(=O)[N-]CC2(C#N)CC2)on1	ZINC000599301953	361642563	/nfs/dbraw/zinc/64/25/63/361642563.db2.gz	GGEPDINANVUPSG-UHFFFAOYSA-N	-1	0	285.281	0.043	20	30		CCEDRM
N#Cc1c(C2CC2)[n-][nH]c1=NC(=O)[C@H]1CCC(=O)C1	ZINC000564658671	291292268	/nfs/dbraw/zinc/29/22/68/291292268.db2.gz	JBRIPRAUQIJNSJ-QMMMGPOBSA-N	-1	0	258.281	0.888	20	30		CCEDRM
CCO[C@@H]1COCC[C@@H]1NC(=O)N=c1[n-]n(C)cc1C#N	ZINC000612752016	364007731	/nfs/dbraw/zinc/00/77/31/364007731.db2.gz	HRYHGACBLQMDJA-WDEREUQCSA-N	-1	0	293.327	0.029	20	30		CCEDRM
C=C(C)C[C@H](NC(C)=O)C(=O)N(C)C[C@@H](C)c1nnn[n-]1	ZINC000613473203	364259982	/nfs/dbraw/zinc/25/99/82/364259982.db2.gz	XYVBZGUGAQFWBI-KOLCDFICSA-N	-1	0	294.359	0.233	20	30		CCEDRM
C=C[C@@](C)(O)C(=O)N=c1nc([C@H](C)OC)[n-]s1	ZINC000622019355	366984946	/nfs/dbraw/zinc/98/49/46/366984946.db2.gz	UWBFBRQEVGTFKX-QUBYGPBYSA-N	-1	0	257.315	0.543	20	30		CCEDRM
C=CCCS(=O)(=O)N[C@@H](C[C@@H](OC)C1CC1)C(=O)[O-]	ZINC000656170535	412757869	/nfs/dbraw/zinc/75/78/69/412757869.db2.gz	XYVJYJRVKZHGMM-WDEREUQCSA-N	-1	0	291.369	0.750	20	30		CCEDRM
C=CCCNC(=O)C(=O)N1CC[C@H](C(=O)[O-])[C@H](C)C1	ZINC000627279031	368942596	/nfs/dbraw/zinc/94/25/96/368942596.db2.gz	FLBNTWZZSDSSCZ-ZJUUUORDSA-N	-1	0	268.313	0.248	20	30		CCEDRM
C=CC(C)(C)CCNC(=O)C(=O)N1CCO[C@H](C(=O)[O-])C1	ZINC000627281218	368943143	/nfs/dbraw/zinc/94/31/43/368943143.db2.gz	YMINASPCLKVDKK-JTQLQIEISA-N	-1	0	298.339	0.017	20	30		CCEDRM
C=CCCCS(=O)(=O)N1C[C@H](OC)C[C@]1(C)C(=O)[O-]	ZINC000629307365	369628424	/nfs/dbraw/zinc/62/84/24/369628424.db2.gz	CVYBEKHHUUFNII-ZYHUDNBSSA-N	-1	0	291.369	0.846	20	30		CCEDRM
C=CC[C@@H]1CCN(C(=O)C(=O)N(C)C[C@@H](C)C(=O)[O-])C1	ZINC000629780653	369773392	/nfs/dbraw/zinc/77/33/92/369773392.db2.gz	SYVSXYFFGILZLT-GHMZBOCLSA-N	-1	0	282.340	0.590	20	30		CCEDRM
CC#CCN(C)C(=O)C(=O)N1CC[C@@H](C(=O)[O-])[C@@H](C)C1	ZINC000629781667	369773495	/nfs/dbraw/zinc/77/34/95/369773495.db2.gz	QTSDPBUQSWOHGZ-WDEREUQCSA-N	-1	0	280.324	0.037	20	30		CCEDRM
C=CCOC[C@H](NC(=O)c1ocnc1C)C(=O)[O-]	ZINC000630185873	369996076	/nfs/dbraw/zinc/99/60/76/369996076.db2.gz	IDPBNMRXOMOTII-QMMMGPOBSA-N	-1	0	254.242	0.369	20	30		CCEDRM
C=CCOC[C@@H](NC(=O)[C@@H]1C[C@H]1C1CCOCC1)C(=O)[O-]	ZINC000630187091	369997290	/nfs/dbraw/zinc/99/72/90/369997290.db2.gz	IHINMEPYZCQDRE-YNEHKIRRSA-N	-1	0	297.351	0.821	20	30		CCEDRM
C=CCOCCCC(=O)N1CC[C@@](OC)(C(=O)[O-])C1	ZINC000630252260	370023454	/nfs/dbraw/zinc/02/34/54/370023454.db2.gz	NBALPGGEHODMCW-ZDUSSCGKSA-N	-1	0	271.313	0.671	20	30		CCEDRM
C=C(C)C[C@@H](NC(=O)CCc1cn(C)nn1)C(=O)[O-]	ZINC000630322074	370046948	/nfs/dbraw/zinc/04/69/48/370046948.db2.gz	PALOWZXUWOXPMV-SNVBAGLBSA-N	-1	0	266.301	0.283	20	30		CCEDRM
C=CCCOCC(=O)N[C@H](C[C@@H]1CCCOC1)C(=O)[O-]	ZINC000630275416	370032004	/nfs/dbraw/zinc/03/20/04/370032004.db2.gz	VLUFFSVMSAHDTD-NWDGAFQWSA-N	-1	0	285.340	0.965	20	30		CCEDRM
C=C(C)C[C@@H](NS(=O)(=O)N1CC[C@H](C)C1)C(=O)[O-]	ZINC000630438681	370116981	/nfs/dbraw/zinc/11/69/81/370116981.db2.gz	WKUCSPSOMWRJEG-VHSXEESVSA-N	-1	0	276.358	0.582	20	30		CCEDRM
C=CCOC[C@H](NC(=O)N[C@@H]1C[C@H](C)O[C@H]1C)C(=O)[O-]	ZINC000630497208	370136191	/nfs/dbraw/zinc/13/61/91/370136191.db2.gz	IPCBHXXFYMFXTI-MMWGEVLESA-N	-1	0	286.328	0.507	20	30		CCEDRM
Cc1nc(S(=O)(=O)NCC#CCO)sc1C	ZINC000632516418	371118494	/nfs/dbraw/zinc/11/84/94/371118494.db2.gz	FUPRVYPOELOMHP-UHFFFAOYSA-N	-1	0	260.340	0.034	20	30		CCEDRM
CC(=O)N[C@@H](C)C(=O)N=c1[nH][n-]c(C2CC2)c1C#N	ZINC000331744052	204113288	/nfs/dbraw/zinc/11/32/88/204113288.db2.gz	CBAWXFKBFCZVLE-LURJTMIESA-N	-1	0	261.285	0.044	20	30		CCEDRM
CC[C@H](C)[C@H](NS(=O)(=O)c1cccnc1C#N)C(=O)[O-]	ZINC000234017496	189820852	/nfs/dbraw/zinc/82/08/52/189820852.db2.gz	DIXHNXKCVVTGRG-KWQFWETISA-N	-1	0	297.336	0.731	20	30		CCEDRM
N#Cc1ccsc1NC(=O)C(=O)NCCCC(=O)[O-]	ZINC000567867088	291527682	/nfs/dbraw/zinc/52/76/82/291527682.db2.gz	GCDBHIJZERHQOV-UHFFFAOYSA-N	-1	0	281.293	0.539	20	30		CCEDRM
C=C[C@@](C)(O)C(=O)N=c1nc(C(C)(C)OC)[n-]s1	ZINC000634149622	371910653	/nfs/dbraw/zinc/91/06/53/371910653.db2.gz	ZNEGSDPDNYSALG-LLVKDONJSA-N	-1	0	271.342	0.717	20	30		CCEDRM
C=C(C)C[C@H](NS(=O)(=O)C[C@@H](C)COC)C(=O)[O-]	ZINC000634654772	372127334	/nfs/dbraw/zinc/12/73/34/372127334.db2.gz	UBTXLJOPTGJLRV-UWVGGRQHSA-N	-1	0	279.358	0.608	20	30		CCEDRM
C=C(C)COCCNC(=O)[C@H](C)O[C@H](C)C(=O)[O-]	ZINC000634910002	372290523	/nfs/dbraw/zinc/29/05/23/372290523.db2.gz	RUKNAEJXCYJVJE-VHSXEESVSA-N	-1	0	259.302	0.574	20	30		CCEDRM
C=CCOC[C@H](NC(=O)c1cc(CC)nn1C)C(=O)[O-]	ZINC000634804950	372244721	/nfs/dbraw/zinc/24/47/21/372244721.db2.gz	YSHMVPCJEFCXFO-JTQLQIEISA-N	-1	0	281.312	0.368	20	30		CCEDRM
C=CCN(C(=O)CCCc1nnn[n-]1)[C@@H](C)COC	ZINC000636161487	373419111	/nfs/dbraw/zinc/41/91/11/373419111.db2.gz	WJHSRFPAULPTQF-JTQLQIEISA-N	-1	0	267.333	0.572	20	30		CCEDRM
C=CC[C@H]1CCN(C(=O)N=c2ccc(C(=O)NC)n[n-]2)C1	ZINC000640328596	376323780	/nfs/dbraw/zinc/32/37/80/376323780.db2.gz	NIRSZNNUNBWCNK-JTQLQIEISA-N	-1	0	289.339	0.688	20	30		CCEDRM
COCCCO[N-]C(=O)C(=O)Nc1cc(C#N)ccc1C	ZINC000288300019	197046683	/nfs/dbraw/zinc/04/66/83/197046683.db2.gz	RLNXIQVPJRLZLQ-UHFFFAOYSA-N	-1	0	291.307	0.890	20	30		CCEDRM
N#Cc1c(F)cccc1C(=O)NCCCc1nc(=O)[n-][nH]1	ZINC000188290302	388922540	/nfs/dbraw/zinc/92/25/40/388922540.db2.gz	HYVVRXQZAAHTID-UHFFFAOYSA-N	-1	0	289.270	0.471	20	30		CCEDRM
O=C(NCC#CCO)c1ccc([N+](=O)[O-])c([O-])c1	ZINC000339192119	389127429	/nfs/dbraw/zinc/12/74/29/389127429.db2.gz	KXORSPZOGQADFF-UHFFFAOYSA-N	-1	0	250.210	0.026	20	30		CCEDRM
CC(C)(C#N)CNC(=O)c1c[nH]c2nc(=O)[n-]c(=O)c-2c1	ZINC000359640742	389179413	/nfs/dbraw/zinc/17/94/13/389179413.db2.gz	WFHBKOXWWLLQIZ-UHFFFAOYSA-N	-1	0	287.279	0.716	20	30		CCEDRM
C=CC[C@@H](NS(=O)(=O)c1cnc(C)s1)C(=O)[O-]	ZINC000230028927	389157723	/nfs/dbraw/zinc/15/77/23/389157723.db2.gz	PKJCODVRKGBTCD-SSDOTTSWSA-N	-1	0	276.339	0.759	20	30		CCEDRM
CO[C@@H](CNS(=O)(=O)c1ccc(C#N)cc1)CC(=O)[O-]	ZINC000232107626	389161053	/nfs/dbraw/zinc/16/10/53/389161053.db2.gz	FBHOCDYOWJPRTJ-SNVBAGLBSA-N	-1	0	298.320	0.326	20	30		CCEDRM
C=CCN=c1[n-]nc(S(=O)(=O)CCCCOC)s1	ZINC000361849567	389224801	/nfs/dbraw/zinc/22/48/01/389224801.db2.gz	NGUNQLTXACQLRC-UHFFFAOYSA-N	-1	0	291.398	0.758	20	30		CCEDRM
C=C[C@@H]1OCC[C@H]1C(=O)[N-]S(=O)(=O)C1CCC1	ZINC000408490819	389368767	/nfs/dbraw/zinc/36/87/67/389368767.db2.gz	DAEDDRXICAMCRX-ZJUUUORDSA-N	-1	0	259.327	0.576	20	30		CCEDRM
CC[C@@H](CS(=O)(=O)[N-]c1ccc(C#N)c(C)n1)OC	ZINC000421251831	389355972	/nfs/dbraw/zinc/35/59/72/389355972.db2.gz	RANOKWXULGFNJU-NSHDSACASA-N	-1	0	283.353	0.850	20	30		CCEDRM
Cc1cc([N-]S(=O)(=O)c2cn(C)cn2)nn1CCC#N	ZINC000271091403	389439146	/nfs/dbraw/zinc/43/91/46/389439146.db2.gz	UZCJMIZGCTWEKD-UHFFFAOYSA-N	-1	0	294.340	0.640	20	30		CCEDRM
N#CCc1ccc(CS(=O)(=O)c2n[n-]c(=N)s2)cc1	ZINC000350242580	389500192	/nfs/dbraw/zinc/50/01/92/389500192.db2.gz	SNVFMZKZMBPBLR-UHFFFAOYSA-N	-1	0	294.361	0.991	20	30		CCEDRM
C=CCCn1cc(C(=O)N[C@@H]2CC[C@H](C(=O)[O-])C2)nn1	ZINC000425240644	389643043	/nfs/dbraw/zinc/64/30/43/389643043.db2.gz	MFZMDDQTJDGPQL-VHSXEESVSA-N	-1	0	278.312	0.837	20	30		CCEDRM
C=CCn1cc(CNC(=O)[C@H]2CCC[C@H](C(=O)[O-])C2)nn1	ZINC000425253996	389643286	/nfs/dbraw/zinc/64/32/86/389643286.db2.gz	KZCLKWRNNXJKCS-QWRGUYRKSA-N	-1	0	292.339	0.971	20	30		CCEDRM
C=CCn1cc(CN=c2ccc(C(=O)NCC)n[n-]2)nn1	ZINC000425265340	389643866	/nfs/dbraw/zinc/64/38/66/389643866.db2.gz	URBCKUSSUSDQAT-UHFFFAOYSA-N	-1	0	287.327	0.038	20	30		CCEDRM
C=C[C@@H]1OCC[C@H]1C(=O)N=c1ccc(-c2ccnn2C)n[n-]1	ZINC000415982685	389709239	/nfs/dbraw/zinc/70/92/39/389709239.db2.gz	FCWHAVLPWGMJOJ-MFKMUULPSA-N	-1	0	299.334	0.829	20	30		CCEDRM
C=CCCCNC(=O)N=c1ncn(CC(=O)OCC)[n-]1	ZINC000425716268	389655747	/nfs/dbraw/zinc/65/57/47/389655747.db2.gz	UQARFGMQBHJHKD-UHFFFAOYSA-N	-1	0	281.316	0.351	20	30		CCEDRM
CC[C@H](C#N)S(=O)(=O)[N-]c1ccccc1-n1cnnn1	ZINC000416934041	389781503	/nfs/dbraw/zinc/78/15/03/389781503.db2.gz	CLPBHHSZIDVFMM-SECBINFHSA-N	-1	0	292.324	0.706	20	30		CCEDRM
CCc1ocnc1C(=O)Nc1nc(C#N)c(C#N)[n-]1	ZINC000352414010	389807117	/nfs/dbraw/zinc/80/71/17/389807117.db2.gz	DAHUSNYLRXYBRD-UHFFFAOYSA-N	-1	0	256.225	0.956	20	30		CCEDRM
C[C@H](CN(C)C(=O)c1cc(C#N)cn1C)c1nnn[n-]1	ZINC000352483123	389818064	/nfs/dbraw/zinc/81/80/64/389818064.db2.gz	YHZHZXBHTHGCPC-MRVPVSSYSA-N	-1	0	273.300	0.286	20	30		CCEDRM
COC(=O)CN(CC#N)C(=O)c1cccc([N+](=O)[O-])c1[O-]	ZINC000436920947	389987066	/nfs/dbraw/zinc/98/70/66/389987066.db2.gz	IGJSCNTVLDXABP-UHFFFAOYSA-N	-1	0	293.235	0.439	20	30		CCEDRM
N#C[C@]1(NC(=O)c2ccc([O-])c([N+](=O)[O-])c2)CCOC1	ZINC000436935501	389987067	/nfs/dbraw/zinc/98/70/67/389987067.db2.gz	CMUUWGXNBJYGSE-GFCCVEGCSA-N	-1	0	277.236	0.713	20	30		CCEDRM
C=CCCOCCNC(=O)C(=O)N1CC[C@@](C)(C(=O)[O-])C1	ZINC000420560430	390012728	/nfs/dbraw/zinc/01/27/28/390012728.db2.gz	MJXBERHZZRZHGM-CQSZACIVSA-N	-1	0	298.339	0.019	20	30		CCEDRM
C=CCCC[C@@H](C)NC(=O)C(=O)N1CC[C@H](C(=O)[O-])C1	ZINC000420570720	390013464	/nfs/dbraw/zinc/01/34/64/390013464.db2.gz	WOUFXQDVBODKKL-MNOVXSKESA-N	-1	0	282.340	0.781	20	30		CCEDRM
C=CCN(CCc1ccco1)C(=O)C(=O)NCCC(=O)[O-]	ZINC000420595123	390014915	/nfs/dbraw/zinc/01/49/15/390014915.db2.gz	DPOFOLMLPQYNKB-UHFFFAOYSA-N	-1	0	294.307	0.428	20	30		CCEDRM
CC[C@@H](CC#N)NC(=O)C(=O)N=c1ncn(C(C)(C)C)[n-]1	ZINC000439539503	390023740	/nfs/dbraw/zinc/02/37/40/390023740.db2.gz	DCZWIXJWGVDAIC-VIFPVBQESA-N	-1	0	292.343	0.202	20	30		CCEDRM
N#CCc1cccc(C(=O)NCc2cn(CC(=O)[O-])nn2)c1	ZINC000439718681	390025973	/nfs/dbraw/zinc/02/59/73/390025973.db2.gz	MBKAXXWUYJLWEE-UHFFFAOYSA-N	-1	0	299.290	0.359	20	30		CCEDRM
C#CCCS(=O)(=O)[N-]C(=O)/C=C/c1cnc(C)s1	ZINC000493313358	390123146	/nfs/dbraw/zinc/12/31/46/390123146.db2.gz	AUUVERJUASCZRK-AATRIKPKSA-N	-1	0	284.362	0.934	20	30		CCEDRM
N#CC1(CS(=O)(=O)[N-]C(=O)/C=C/c2ccc[nH]2)CC1	ZINC000493864169	390130872	/nfs/dbraw/zinc/13/08/72/390130872.db2.gz	YDZJOFVKVFJUHI-ONEGZZNKSA-N	-1	0	279.321	0.778	20	30		CCEDRM
C=CCNC(=O)CNC(=O)C1(CC(=O)[O-])CCC1	ZINC000579123547	390144257	/nfs/dbraw/zinc/14/42/57/390144257.db2.gz	SOQXEASHVDDARQ-UHFFFAOYSA-N	-1	0	254.286	0.050	20	30		CCEDRM
C=CCn1cc(C(=O)N(CC(=O)[O-])C2CCOCC2)nn1	ZINC000647733627	390150067	/nfs/dbraw/zinc/15/00/67/390150067.db2.gz	RGRWJZBVXZOPOR-UHFFFAOYSA-N	-1	0	294.311	0.170	20	30		CCEDRM
C=CCn1cc(C(=O)N([C@H](C)C(=O)[O-])C2CC2)nn1	ZINC000647742367	390156385	/nfs/dbraw/zinc/15/63/85/390156385.db2.gz	SLKWHJHNMFCQPN-MRVPVSSYSA-N	-1	0	264.285	0.542	20	30		CCEDRM
C=CCCO[C@H](C)C(=O)Nc1cnn(CC(=O)[O-])c1	ZINC000647745568	390157553	/nfs/dbraw/zinc/15/75/53/390157553.db2.gz	HVVADRULOLEUHY-SECBINFHSA-N	-1	0	267.285	0.887	20	30		CCEDRM
C=CCCOCC(=O)Nc1cnn(CC(=O)[O-])c1	ZINC000647745599	390157959	/nfs/dbraw/zinc/15/79/59/390157959.db2.gz	JOWOFDJXDBYMIR-UHFFFAOYSA-N	-1	0	253.258	0.499	20	30		CCEDRM
C=CCC[C@H](NC(=O)c1ccn(CCOC)n1)C(=O)[O-]	ZINC000580330426	390240515	/nfs/dbraw/zinc/24/05/15/390240515.db2.gz	JXYBKQNBPSWHMM-NSHDSACASA-N	-1	0	281.312	0.679	20	30		CCEDRM
C=CCNC(=O)CNC(=O)c1cc(F)c(F)c([O-])c1F	ZINC000541707926	390244368	/nfs/dbraw/zinc/24/43/68/390244368.db2.gz	AVVZREHITCSGRB-UHFFFAOYSA-N	-1	0	288.225	0.842	20	30		CCEDRM
C=C(C)CS(=O)(=O)N1CCO[C@H](CC(=O)[O-])C1	ZINC000583750857	390307190	/nfs/dbraw/zinc/30/71/90/390307190.db2.gz	QHTDGBGQXXDTFT-SECBINFHSA-N	-1	0	263.315	0.068	20	30		CCEDRM
C=CCn1cc(CN=c2[n-]c(C3CCOCC3)no2)nn1	ZINC000583808628	390312976	/nfs/dbraw/zinc/31/29/76/390312976.db2.gz	PKWFHELXSTVSPY-UHFFFAOYSA-N	-1	0	290.327	0.775	20	30		CCEDRM
Cc1c(C#N)c(=NC(=O)[C@@H]2CCC(=O)[C@@H](C)C2)[n-]n1C	ZINC000648434703	390372296	/nfs/dbraw/zinc/37/22/96/390372296.db2.gz	WVTICKJVESQZDE-WCBMZHEXSA-N	-1	0	274.324	0.966	20	30		CCEDRM
C[C@H](C=Nn1c(=O)[n-][nH]c1=O)CNC(=O)OC(C)(C)C	ZINC000496775997	390362350	/nfs/dbraw/zinc/36/23/50/390362350.db2.gz	IQZATYGAOZMABH-ZETCQYMHSA-N	-1	0	285.304	0.684	20	30		CCEDRM
CC#CC[C@@H](CO)N=c1[n-]c(C2CCOCC2)no1	ZINC000645406906	390422170	/nfs/dbraw/zinc/42/21/70/390422170.db2.gz	FBODGSLBHLXTQB-NSHDSACASA-N	-1	0	265.313	0.572	20	30		CCEDRM
C=CCOC[C@@H](NC(=O)NCc1cc(C)on1)C(=O)[O-]	ZINC000565282390	390501212	/nfs/dbraw/zinc/50/12/12/390501212.db2.gz	OZEPFNLIEFLGLZ-SNVBAGLBSA-N	-1	0	283.284	0.438	20	30		CCEDRM
C=CCOC[C@@H](NC(=O)NCC=C(C)C)C(=O)[O-]	ZINC000515040723	390471834	/nfs/dbraw/zinc/47/18/34/390471834.db2.gz	NSBYIFWLJMEHSZ-SNVBAGLBSA-N	-1	0	256.302	0.908	20	30		CCEDRM
C=CCn1cc(C(=O)N2CCSC[C@H]2CC(=O)[O-])nn1	ZINC000649244816	390535002	/nfs/dbraw/zinc/53/50/02/390535002.db2.gz	XHYVARGDRHMFEW-SECBINFHSA-N	-1	0	296.352	0.496	20	30		CCEDRM
C=CCn1cc(C(=O)N2CCCC[C@@H]2CC(=O)[O-])nn1	ZINC000649248125	390537336	/nfs/dbraw/zinc/53/73/36/390537336.db2.gz	YMPRHZPAHWGVIR-SNVBAGLBSA-N	-1	0	278.312	0.934	20	30		CCEDRM
CCC(C#N)(CC)C(=O)[N-]S(=O)(=O)c1cnn(C)c1C	ZINC000529024622	390787829	/nfs/dbraw/zinc/78/78/29/390787829.db2.gz	RECVGPGSPBHPQA-UHFFFAOYSA-N	-1	0	298.368	0.863	20	30		CCEDRM
CCOC[C@H](NS(=O)(=O)CCCCC#N)C(=O)[O-]	ZINC000572689331	390797260	/nfs/dbraw/zinc/79/72/60/390797260.db2.gz	YROONXKNSJJMSW-VIFPVBQESA-N	-1	0	278.330	0.089	20	30		CCEDRM
N#Cc1nc(NC(=O)[C@@H]2CC23CCOCC3)[n-]c1C#N	ZINC000530657275	390877336	/nfs/dbraw/zinc/87/73/36/390877336.db2.gz	CSCCZFXBVWWSFE-QMMMGPOBSA-N	-1	0	271.280	0.908	20	30		CCEDRM
C=CCN(CC=C)C(=O)C(=O)N1CCC(C)(C(=O)[O-])CC1	ZINC000647500465	390825105	/nfs/dbraw/zinc/82/51/05/390825105.db2.gz	SAKYCUQLXGBNAT-UHFFFAOYSA-N	-1	0	294.351	0.900	20	30		CCEDRM
COc1ccc(=NC(=O)NCC(=O)N2CCCCC2)[n-]n1	ZINC000329120886	533251722	/nfs/dbraw/zinc/25/17/22/533251722.db2.gz	KIUALUQVIKLVJS-UHFFFAOYSA-N	-1	0	293.327	0.246	20	30		CCEDRM
CCN(CCC#N)S(=O)(=O)NC1(C(=O)[O-])CCCC1	ZINC000578849787	390904129	/nfs/dbraw/zinc/90/41/29/390904129.db2.gz	POPKALLKJBLWEB-UHFFFAOYSA-N	-1	0	289.357	0.454	20	30		CCEDRM
C=CCCO[C@@H](C)C(=O)NCCSCC(=O)[O-]	ZINC000262387723	131216685	/nfs/dbraw/zinc/21/66/85/131216685.db2.gz	JRNAHAGWDXDTHP-VIFPVBQESA-N	-1	0	261.343	0.902	20	30		CCEDRM
COc1cc(C#N)ccc1OCC(=O)NC[C@H](C)C(=O)[O-]	ZINC000262544198	131231809	/nfs/dbraw/zinc/23/18/09/131231809.db2.gz	SHHBUQPPPUVVPW-VIFPVBQESA-N	-1	0	292.291	0.783	20	30		CCEDRM
C[C@@H](Oc1ccccc1C#N)C(=O)NCc1n[nH]c(=O)[n-]1	ZINC000358941193	144187970	/nfs/dbraw/zinc/18/79/70/144187970.db2.gz	XSSIEHMFJQUHOA-MRVPVSSYSA-N	-1	0	287.279	0.466	20	30		CCEDRM
CC[C@@H](NS(=O)(=O)c1ccc(C#N)cc1OC)C(=O)[O-]	ZINC000548209191	286016426	/nfs/dbraw/zinc/01/64/26/286016426.db2.gz	DSQNKVGMGCLMQX-SECBINFHSA-N	-1	0	298.320	0.708	20	30		CCEDRM
C=CCC[C@@H](NC(=O)c1ccn2nnnc2c1)C(=O)[O-]	ZINC000659153720	413314753	/nfs/dbraw/zinc/31/47/53/413314753.db2.gz	LFSJSWCFWIINDM-SECBINFHSA-N	-1	0	275.268	0.274	20	30		CCEDRM
C=CCOC[C@H](NC(=O)C1(OCC)CCC1)C(=O)[O-]	ZINC000659156435	413318033	/nfs/dbraw/zinc/31/80/33/413318033.db2.gz	KWFJFFLXGMYWND-JTQLQIEISA-N	-1	0	271.313	0.718	20	30		CCEDRM
C=CCCOCC(=O)N1CC[C@H](OC)C[C@H]1C(=O)[O-]	ZINC000659220964	413344084	/nfs/dbraw/zinc/34/40/84/413344084.db2.gz	KDBZGYQUYIFUEZ-QWRGUYRKSA-N	-1	0	271.313	0.670	20	30		CCEDRM
C=CCOC[C@H](NC(=O)C[C@@H](OC)C(F)(F)F)C(=O)[O-]	ZINC000652070960	411985172	/nfs/dbraw/zinc/98/51/72/411985172.db2.gz	BZUFXEXDGAXHPP-JGVFFNPUSA-N	-1	0	299.245	0.726	20	30		CCEDRM
C#CCNS(=O)(=O)c1ccc(CC(=O)[O-])cc1	ZINC000035296000	172107850	/nfs/dbraw/zinc/10/78/50/172107850.db2.gz	AYIIWQOZZFTDGQ-UHFFFAOYSA-N	-1	0	253.279	0.225	20	30		CCEDRM
C=CC[C@H](CC)NC(=O)C(=O)NCC1(C(=O)[O-])CCC1	ZINC000659652434	413758000	/nfs/dbraw/zinc/75/80/00/413758000.db2.gz	KDBIVNVIEQHFGY-JTQLQIEISA-N	-1	0	282.340	0.828	20	30		CCEDRM
C[C@@H](NC(=O)[C@H](C)Oc1ccc(C#N)cc1)C(=O)[O-]	ZINC000037410225	173186461	/nfs/dbraw/zinc/18/64/61/173186461.db2.gz	DJHMAOLRGQFZSY-BDAKNGLRSA-N	-1	0	262.265	0.915	20	30		CCEDRM
C[C@@H](CC(=O)[O-])NS(=O)(=O)c1ccc(C#N)cc1	ZINC000037413178	173189916	/nfs/dbraw/zinc/18/99/16/173189916.db2.gz	BXAPKYDLBOWQDS-QMMMGPOBSA-N	-1	0	268.294	0.700	20	30		CCEDRM
C[C@@H](CC(=O)[O-])NS(=O)(=O)Cc1cccc(C#N)c1	ZINC000037463840	173225554	/nfs/dbraw/zinc/22/55/54/173225554.db2.gz	ZEBSJOTVONWUQE-VIFPVBQESA-N	-1	0	282.321	0.841	20	30		CCEDRM
C[C@@H](C#N)CN(C)S(=O)(=O)c1c[nH]c(C(=O)[O-])c1	ZINC000037838500	173795313	/nfs/dbraw/zinc/79/53/13/173795313.db2.gz	RYJBTHKUYWPKJD-ZETCQYMHSA-N	-1	0	271.298	0.493	20	30		CCEDRM
C=CCOCCNS(=O)(=O)c1cccnc1C(=O)[O-]	ZINC000663429630	415065754	/nfs/dbraw/zinc/06/57/54/415065754.db2.gz	FIKGGHLRNYEDQN-UHFFFAOYSA-N	-1	0	286.309	0.261	20	30		CCEDRM
C=C(C)CS(=O)(=O)NC[C@@H](C(=O)[O-])C1CCC1	ZINC000663256563	415031449	/nfs/dbraw/zinc/03/14/49/415031449.db2.gz	WKDPPGFUPSYZGM-SNVBAGLBSA-N	-1	0	261.343	0.983	20	30		CCEDRM
C=CC[C@H](NS(=O)(=O)N1CCC[C@H](C)C1)C(=O)[O-]	ZINC000161294788	544705329	/nfs/dbraw/zinc/70/53/29/544705329.db2.gz	JQWZHQKBAWUFQI-UWVGGRQHSA-N	-1	0	276.358	0.582	20	30		CCEDRM
C=CC[C@@H](NS(=O)(=O)c1cn(CC)cn1)C(=O)[O-]	ZINC000161287309	544705462	/nfs/dbraw/zinc/70/54/62/544705462.db2.gz	HXJDSBDVLUXUOR-MRVPVSSYSA-N	-1	0	273.314	0.211	20	30		CCEDRM
C=C(C)COCCNC(=O)[C@H]1CC[C@@H](C(=O)[O-])O1	ZINC000222835173	544824644	/nfs/dbraw/zinc/82/46/44/544824644.db2.gz	RPZZXIFJFJMXBO-ZJUUUORDSA-N	-1	0	257.286	0.328	20	30		CCEDRM
Cc1c(S(=O)(=O)[N-]c2ccn(CCC#N)n2)cnn1C	ZINC000427236469	260572021	/nfs/dbraw/zinc/57/20/21/260572021.db2.gz	IGTBHPOJXMENDD-UHFFFAOYSA-N	-1	0	294.340	0.640	20	30		CCEDRM
C=CCCC[C@@H](C)NC(=O)C(=O)N=c1ncn(C)[n-]1	ZINC000340163226	263081880	/nfs/dbraw/zinc/08/18/80/263081880.db2.gz	KMEOJKNUEDUCNP-SECBINFHSA-N	-1	0	265.317	0.037	20	30		CCEDRM
N#C[C@@H]1COCCN1C(=O)c1s[n-]c(=O)c1Cl	ZINC000283566495	263083236	/nfs/dbraw/zinc/08/32/36/263083236.db2.gz	WCPNSWADGHZEJI-RXMQYKEDSA-N	-1	0	273.701	0.867	20	30		CCEDRM
C=CCNC(=O)CNC(=O)N=c1nc(CCC)[n-]s1	ZINC000340254868	263101862	/nfs/dbraw/zinc/10/18/62/263101862.db2.gz	DPIUPLOAPIYCHP-UHFFFAOYSA-N	-1	0	283.357	0.336	20	30		CCEDRM
C[C@H](C#N)NC(=O)c1ccccc1[N-]S(C)(=O)=O	ZINC000340450452	263155142	/nfs/dbraw/zinc/15/51/42/263155142.db2.gz	IPSUFNYOOLVIOI-MRVPVSSYSA-N	-1	0	267.310	0.700	20	30		CCEDRM
CC[C@H](C#N)NC(=O)c1c[nH]c2nc(=O)[n-]c(=O)c-2c1	ZINC000299585368	263248205	/nfs/dbraw/zinc/24/82/05/263248205.db2.gz	IYNSEHHSOPQCMW-SSDOTTSWSA-N	-1	0	273.252	0.468	20	30		CCEDRM
C[C@@H](O)C(C)(C)NC(=O)c1cccn2c([O-])nnc12	ZINC000330792230	264039710	/nfs/dbraw/zinc/03/97/10/264039710.db2.gz	BWRLPGKCCYXQAV-SSDOTTSWSA-N	-1	0	264.285	0.899	20	30		CCEDRM
C[C@H](C[S@@](C)=O)N(C)C(=O)N=c1cn[n-]s1	ZINC000331133945	264134611	/nfs/dbraw/zinc/13/46/11/264134611.db2.gz	CDZVYUBBWDJUSS-ADNUTGFCSA-N	-1	0	262.360	0.782	20	30		CCEDRM
Cc1n[n-]c(=NC(=O)NCC2CCN(CC#N)CC2)s1	ZINC000331148530	264138842	/nfs/dbraw/zinc/13/88/42/264138842.db2.gz	NZSJJSDIACNBEJ-UHFFFAOYSA-N	-1	0	294.384	0.830	20	30		CCEDRM
CCN(C[C@H](C)C#N)S(=O)(=O)N[C@H](C)CC(=O)[O-]	ZINC000417425265	264241486	/nfs/dbraw/zinc/24/14/86/264241486.db2.gz	XRVCPDPNLPQMHU-RKDXNWHRSA-N	-1	0	277.346	0.166	20	30		CCEDRM
N#CCCCCNS(=O)(=O)[N-]CC(F)(F)F	ZINC000126972716	264245495	/nfs/dbraw/zinc/24/54/95/264245495.db2.gz	ALSHIUPFOACPFQ-UHFFFAOYSA-N	-1	0	259.253	0.667	20	30		CCEDRM
C=CCN(CC(=O)[O-])S(=O)(=O)N1CCCC[C@@H]1C	ZINC000092463904	264451217	/nfs/dbraw/zinc/45/12/17/264451217.db2.gz	DLRFCZWMOVSHGQ-JTQLQIEISA-N	-1	0	276.358	0.678	20	30		CCEDRM
C=CCNC(=O)CNC(=O)N=c1ccc(OC(C)C)n[n-]1	ZINC000356426102	266112468	/nfs/dbraw/zinc/11/24/68/266112468.db2.gz	LOMJHGBDAKQNDG-UHFFFAOYSA-N	-1	0	293.327	0.109	20	30		CCEDRM
COC[C@](C)(NC(=O)COc1ccc(C#N)cc1)C(=O)[O-]	ZINC000262132212	293252974	/nfs/dbraw/zinc/25/29/74/293252974.db2.gz	DAOIHNFGXPSUHE-AWEZNQCLSA-N	-1	0	292.291	0.543	20	30		CCEDRM
N#C[C@H]1CC[C@@H](NC(=O)N=c2nc3n([n-]2)CCCC3)C1	ZINC000333370805	303168260	/nfs/dbraw/zinc/16/82/60/303168260.db2.gz	IZJOYRVJVMDOKF-VHSXEESVSA-N	-1	0	274.328	0.850	20	30		CCEDRM
Cc1cc(C)n2[n-]c(=NC(=O)N[C@H](C)CC#N)nc2n1	ZINC000339134759	327998052	/nfs/dbraw/zinc/99/80/52/327998052.db2.gz	QFDFFPGNVGSHKQ-SSDOTTSWSA-N	-1	0	273.300	0.587	20	30		CCEDRM
C=C(C)CS(=O)(=O)N1CSC[C@H]1C(=O)[O-]	ZINC000564458737	327141136	/nfs/dbraw/zinc/14/11/36/327141136.db2.gz	VWHZTTVRUJMKCP-ZETCQYMHSA-N	-1	0	251.329	0.352	20	30		CCEDRM
C=C(C)CS(=O)(=O)N[C@H](C(=O)[O-])[C@@H](C)C1CC1	ZINC000569367646	327167449	/nfs/dbraw/zinc/16/74/49/327167449.db2.gz	JWOBHGCOOOLXHT-WPRPVWTQSA-N	-1	0	261.343	0.981	20	30		CCEDRM
C=CCOC[C@@H](NC(=O)Cc1ccc(C)o1)C(=O)[O-]	ZINC000560445005	327307964	/nfs/dbraw/zinc/30/79/64/327307964.db2.gz	FFASUKGVIPXRAD-LLVKDONJSA-N	-1	0	267.281	0.903	20	30		CCEDRM
CC(C)(CC(=O)[O-])NS(=O)(=O)CC1(C#N)CC1	ZINC000562336682	327472346	/nfs/dbraw/zinc/47/23/46/327472346.db2.gz	CQXXULIWXROYAQ-UHFFFAOYSA-N	-1	0	260.315	0.463	20	30		CCEDRM
C=CCC[C@@H](NC(=O)c1cn2c(n1)CCC2)C(=O)[O-]	ZINC000570096774	327568793	/nfs/dbraw/zinc/56/87/93/327568793.db2.gz	SDKMNLWKPMLFAL-SECBINFHSA-N	-1	0	263.297	0.979	20	30		CCEDRM
CC[C@@](C)(CNS(=O)(=O)N(C)C[C@H](C)C#N)C(=O)[O-]	ZINC000582670279	329122774	/nfs/dbraw/zinc/12/27/74/329122774.db2.gz	TXCGOHCQRKMSDI-KOLCDFICSA-N	-1	0	291.373	0.413	20	30		CCEDRM
CC#CC[C@@H](NS(=O)(=O)N(CC)CC1CC1)C(=O)[O-]	ZINC000582805356	329226641	/nfs/dbraw/zinc/22/66/41/329226641.db2.gz	LPPPIYPKEXAGMR-LLVKDONJSA-N	-1	0	288.369	0.419	20	30		CCEDRM
CCOC(=O)[C@H](NC(=O)Nc1cccc(C#N)c1)C(=O)[O-]	ZINC000583865032	329516454	/nfs/dbraw/zinc/51/64/54/329516454.db2.gz	SUOUHXLAYDYJRZ-SNVBAGLBSA-N	-1	0	291.263	0.696	20	30		CCEDRM
C=CCCn1cc(C(=O)N[C@H](C)[C@@H](C)C(=O)[O-])nn1	ZINC000425236403	329646126	/nfs/dbraw/zinc/64/61/26/329646126.db2.gz	FKIZILGHIJJWII-RKDXNWHRSA-N	-1	0	266.301	0.693	20	30		CCEDRM
C=CCCCN(C)C(=O)N=c1ncn(CC(=O)OCC)[n-]1	ZINC000425707010	329655143	/nfs/dbraw/zinc/65/51/43/329655143.db2.gz	ZHUCPROHWSYMQC-UHFFFAOYSA-N	-1	0	295.343	0.693	20	30		CCEDRM
CN(CCCC(=O)[O-])C(=O)C1(C#N)CCOCC1	ZINC000262211458	330004055	/nfs/dbraw/zinc/00/40/55/330004055.db2.gz	VXPRZSPTVQKYLF-UHFFFAOYSA-N	-1	0	254.286	0.630	20	30		CCEDRM
CC(C)N(CC(=O)[O-])S(=O)(=O)CC1(C#N)CC1	ZINC000262379960	330011747	/nfs/dbraw/zinc/01/17/47/330011747.db2.gz	GUVMECBQGFBUIW-UHFFFAOYSA-N	-1	0	260.315	0.415	20	30		CCEDRM
C=CCOC[C@@H](NC(=O)CCCSC)C(=O)[O-]	ZINC000262894710	330036310	/nfs/dbraw/zinc/03/63/10/330036310.db2.gz	DGGOJHLTXUCQIA-SECBINFHSA-N	-1	0	261.343	0.902	20	30		CCEDRM
C#CCOc1ccc(C(=O)N[C@@H](COC)C(=O)[O-])cc1	ZINC000262943277	330037371	/nfs/dbraw/zinc/03/73/71/330037371.db2.gz	KVVYGAXZNPGVSK-LBPRGKRZSA-N	-1	0	277.276	0.528	20	30		CCEDRM
C=CCOCCCC(=O)N1CCO[C@@H](C(=O)[O-])C1	ZINC000262953901	330037530	/nfs/dbraw/zinc/03/75/30/330037530.db2.gz	JGJBDVNRZALGIH-SNVBAGLBSA-N	-1	0	257.286	0.281	20	30		CCEDRM
N#CCC1(CS(=O)(=O)N2CCCC[C@@H]2C(=O)[O-])CC1	ZINC000263490640	330057656	/nfs/dbraw/zinc/05/76/56/330057656.db2.gz	ONPMAYFXBWWNBK-SNVBAGLBSA-N	-1	0	286.353	0.949	20	30		CCEDRM
CC(C)N(CC(=O)[O-])S(=O)(=O)N(C)C[C@@H](C)C#N	ZINC000263503678	330058272	/nfs/dbraw/zinc/05/82/72/330058272.db2.gz	USSLGJQRDXLLHD-VIFPVBQESA-N	-1	0	277.346	0.118	20	30		CCEDRM
CCC[C@H](NS(=O)(=O)N(CC)C[C@H](C)C#N)C(=O)[O-]	ZINC000263516134	330058602	/nfs/dbraw/zinc/05/86/02/330058602.db2.gz	ZYUVVVFXPDMFLF-ZJUUUORDSA-N	-1	0	291.373	0.556	20	30		CCEDRM
CCN(C[C@H](C)C#N)S(=O)(=O)N(C)[C@H](C)C(=O)[O-]	ZINC000263539992	330059131	/nfs/dbraw/zinc/05/91/31/330059131.db2.gz	CAUZTFDQKQACDL-RKDXNWHRSA-N	-1	0	277.346	0.118	20	30		CCEDRM
CC(C)(CC#N)CS(=O)(=O)N1CC[C@H](C(=O)[O-])C1	ZINC000263543979	330059148	/nfs/dbraw/zinc/05/91/48/330059148.db2.gz	FPHYXULVCAODOJ-VIFPVBQESA-N	-1	0	274.342	0.663	20	30		CCEDRM
CCN(C[C@@H](C)C#N)S(=O)(=O)N1CC[C@@H](C(=O)[O-])C1	ZINC000263557138	330059459	/nfs/dbraw/zinc/05/94/59/330059459.db2.gz	PATJGJRVUJITHM-VHSXEESVSA-N	-1	0	289.357	0.119	20	30		CCEDRM
CCCCc1nc(Cn2c(=O)[n-]cc(C#N)c2=O)no1	ZINC000580444446	330136684	/nfs/dbraw/zinc/13/66/84/330136684.db2.gz	JDYABZHEYOLFNW-UHFFFAOYSA-N	-1	0	275.268	0.182	20	30		CCEDRM
C=CCN(CC=C)C(=O)C(=O)N1CCC[C@H](C(=O)[O-])C1	ZINC000422718326	330152018	/nfs/dbraw/zinc/15/20/18/330152018.db2.gz	WYVZWXQEXSONLF-NSHDSACASA-N	-1	0	280.324	0.510	20	30		CCEDRM
C=CCCN(C)C(=O)C(=O)N1C[C@@H](C)C[C@H](C(=O)[O-])C1	ZINC000422879890	330159001	/nfs/dbraw/zinc/15/90/01/330159001.db2.gz	WBFPINAVDGBMCC-QWRGUYRKSA-N	-1	0	282.340	0.590	20	30		CCEDRM
C=C[C@@H]1CCCCN1C(=O)C(=O)N1CC[C@@](C)(C(=O)[O-])C1	ZINC000422905008	330159575	/nfs/dbraw/zinc/15/95/75/330159575.db2.gz	HMHKPSHQLBJUPQ-IAQYHMDHSA-N	-1	0	294.351	0.877	20	30		CCEDRM
C=CCCn1cc(C(=O)N2CC[C@](C)(C(=O)[O-])C2)nn1	ZINC000424248583	330332098	/nfs/dbraw/zinc/33/20/98/330332098.db2.gz	OJVTXJXDOPIEDY-ZDUSSCGKSA-N	-1	0	278.312	0.791	20	30		CCEDRM
C=CC[C@H](CO)NC(=O)NC[C@H](CC(C)C)C(=O)[O-]	ZINC000424427808	330351769	/nfs/dbraw/zinc/35/17/69/330351769.db2.gz	WBDZVZMSJFCZNZ-WDEREUQCSA-N	-1	0	272.345	0.970	20	30		CCEDRM
C=CCCN(C)C(=O)C(=O)NCCC(C)(C)C(=O)[O-]	ZINC000424477383	330354528	/nfs/dbraw/zinc/35/45/28/330354528.db2.gz	DSRKIYVBRCQYSI-UHFFFAOYSA-N	-1	0	270.329	0.638	20	30		CCEDRM
N#C[C@H]1CC[C@@H](NC(=O)C(=O)N2CCC(C(=O)[O-])CC2)C1	ZINC000424485239	330355658	/nfs/dbraw/zinc/35/56/58/330355658.db2.gz	CCLDMUXFXXYEEV-GXSJLCMTSA-N	-1	0	293.323	0.118	20	30		CCEDRM
N#CCC[C@H](NC(=O)c1nc(=O)[nH][n-]1)c1ccccc1	ZINC000120996318	330394322	/nfs/dbraw/zinc/39/43/22/330394322.db2.gz	VXVMOZVIMQMKMY-JTQLQIEISA-N	-1	0	271.280	0.873	20	30		CCEDRM
CCC[C@H](NS(=O)(=O)CC1(CC#N)CC1)C(=O)OC	ZINC000451382501	331026489	/nfs/dbraw/zinc/02/64/89/331026489.db2.gz	WVQWWVVAOHNCTL-JTQLQIEISA-N	-1	0	288.369	0.941	20	30		CCEDRM
C=CCC[C@H](CO)NC(=O)N=c1ncn(C(C)(C)C)[n-]1	ZINC000455125099	331161275	/nfs/dbraw/zinc/16/12/75/331161275.db2.gz	AAMYMNBATHVVTL-SNVBAGLBSA-N	-1	0	281.360	0.904	20	30		CCEDRM
N#CC1(CS(=O)(=O)[N-]C(=O)/C=C/c2cscn2)CC1	ZINC000492823291	332414996	/nfs/dbraw/zinc/41/49/96/332414996.db2.gz	MPPSJFZKKMUTFR-OWOJBTEDSA-N	-1	0	297.361	0.906	20	30		CCEDRM
CC#CCS(=O)(=O)[N-]C(=O)/C=C\c1ncccc1C	ZINC000493744900	332452261	/nfs/dbraw/zinc/45/22/61/332452261.db2.gz	HPDNDQIEUNUQQZ-FPLPWBNLSA-N	-1	0	278.333	0.873	20	30		CCEDRM
C=CCN(C)C(=O)C(=O)N1CC[C@@H](C)[C@H](C(=O)[O-])C1	ZINC000575749046	335111862	/nfs/dbraw/zinc/11/18/62/335111862.db2.gz	KOYBQSUGOCTUDV-NXEZZACHSA-N	-1	0	268.313	0.200	20	30		CCEDRM
C=CCOC[C@H](NC(=O)c1ncn(C(C)(C)C)n1)C(=O)[O-]	ZINC000573094437	334907790	/nfs/dbraw/zinc/90/77/90/334907790.db2.gz	WYELPNWHJCWZJV-VIFPVBQESA-N	-1	0	296.327	0.419	20	30		CCEDRM
C=CCOC[C@@H](NS(=O)(=O)c1ccc(C)cc1)C(=O)[O-]	ZINC000575985701	335138334	/nfs/dbraw/zinc/13/83/34/335138334.db2.gz	YUGSMWBDMAANQK-GFCCVEGCSA-N	-1	0	299.348	0.929	20	30		CCEDRM
C=CCCn1cc(C(=O)N[C@](C)(C(=O)[O-])C2CC2)nn1	ZINC000576102221	335153903	/nfs/dbraw/zinc/15/39/03/335153903.db2.gz	BDQYWHNTLQMXFN-ZDUSSCGKSA-N	-1	0	278.312	0.837	20	30		CCEDRM
CCOC(=O)c1cc(=NC(=O)C2(C#N)CCC2)[nH][n-]1	ZINC000543762509	333896823	/nfs/dbraw/zinc/89/68/23/333896823.db2.gz	YILGBZAAPYWTRN-UHFFFAOYSA-N	-1	0	262.269	0.641	20	30		CCEDRM
C[C@H](CCCNS(=O)(=O)CC1(C#N)CC1)C(=O)[O-]	ZINC000547896660	334128996	/nfs/dbraw/zinc/12/89/96/334128996.db2.gz	LDTFHGSDTIATJX-SECBINFHSA-N	-1	0	274.342	0.710	20	30		CCEDRM
C[C@@H](CCC(=O)[O-])CNS(=O)(=O)N(C)CCC#N	ZINC000548219215	334146746	/nfs/dbraw/zinc/14/67/46/334146746.db2.gz	KLIGWDMAJZTYHE-VIFPVBQESA-N	-1	0	277.346	0.167	20	30		CCEDRM
C[C@@H]1CCN(S(=O)(=O)CC2(C#N)CC2)[C@H]1C(=O)[O-]	ZINC000548245104	334146985	/nfs/dbraw/zinc/14/69/85/334146985.db2.gz	ZOMLAQPUFLVROK-RKDXNWHRSA-N	-1	0	272.326	0.415	20	30		CCEDRM
CN(CCC#N)S(=O)(=O)N[C@@H]1CCC[C@@]1(C)C(=O)[O-]	ZINC000548545858	334162560	/nfs/dbraw/zinc/16/25/60/334162560.db2.gz	WFBGEIGKDPLUIA-MWLCHTKSSA-N	-1	0	289.357	0.310	20	30		CCEDRM
C[C@@H]1CCN(S(=O)(=O)CC2(C#N)CC2)[C@H](C(=O)[O-])C1	ZINC000548577072	334162879	/nfs/dbraw/zinc/16/28/79/334162879.db2.gz	UJSGYZJKAIUGMS-ZJUUUORDSA-N	-1	0	286.353	0.805	20	30		CCEDRM
N#CC1(CS(=O)(=O)NC2(C(=O)[O-])CCCC2)CC1	ZINC000548837212	334175706	/nfs/dbraw/zinc/17/57/06/334175706.db2.gz	RHBUETJJMFBZPF-UHFFFAOYSA-N	-1	0	272.326	0.607	20	30		CCEDRM
C[C@@H](C#N)CNS(=O)(=O)c1ccc(C(=O)[O-])cc1F	ZINC000092114689	334396943	/nfs/dbraw/zinc/39/69/43/334396943.db2.gz	SSHNYHZGRSYHNY-ZETCQYMHSA-N	-1	0	286.284	0.962	20	30		CCEDRM
CC[C@H]1[C@@H](C(=O)[O-])CCN1S(=O)(=O)N(C)CCC#N	ZINC000554412616	334429243	/nfs/dbraw/zinc/42/92/43/334429243.db2.gz	FENSPHDBSUONFZ-UWVGGRQHSA-N	-1	0	289.357	0.262	20	30		CCEDRM
C[C@@H](NS(=O)(=O)CC1(CC#N)CC1)[C@H](C)C(=O)[O-]	ZINC000565056729	334536887	/nfs/dbraw/zinc/53/68/87/334536887.db2.gz	ZVXHLXNFDHSNGB-DTWKUNHWSA-N	-1	0	274.342	0.709	20	30		CCEDRM
C=C[C@H](CCC(=O)[O-])NS(=O)(=O)N1CCC[C@H]1C	ZINC000565523707	334570869	/nfs/dbraw/zinc/57/08/69/334570869.db2.gz	GSMOXVDYDXZEPD-NXEZZACHSA-N	-1	0	276.358	0.725	20	30		CCEDRM
C=CCOC[C@H](NC(=O)NC1CCSCC1)C(=O)[O-]	ZINC000566952155	334670818	/nfs/dbraw/zinc/67/08/18/334670818.db2.gz	GNPYIIFQYWZYIR-JTQLQIEISA-N	-1	0	288.369	0.837	20	30		CCEDRM
C=CCN(C(=O)C(=O)N1CC[C@H](C)[C@@H](C(=O)[O-])C1)C1CC1	ZINC000567270687	334699774	/nfs/dbraw/zinc/69/97/74/334699774.db2.gz	KDPVGWBJHJNYQC-JQWIXIFHSA-N	-1	0	294.351	0.733	20	30		CCEDRM
C=C[C@H](CCC(=O)[O-])NS(=O)(=O)c1cn(C)cn1	ZINC000567564501	334734178	/nfs/dbraw/zinc/73/41/78/334734178.db2.gz	WDOSRKBKJFEEON-MRVPVSSYSA-N	-1	0	273.314	0.118	20	30		CCEDRM
C=C[C@@H]1OCCC[C@H]1N=c1ccc(C(=O)NCC)n[n-]1	ZINC000569070435	334854021	/nfs/dbraw/zinc/85/40/21/334854021.db2.gz	HDERNWXCWLPSLV-PWSUYJOCSA-N	-1	0	276.340	0.794	20	30		CCEDRM
C=CCOC[C@H](NC(=O)[C@H](C)OCC(C)C)C(=O)[O-]	ZINC000573203985	334916931	/nfs/dbraw/zinc/91/69/31/334916931.db2.gz	ZTTUZWAOPGHVGL-QWRGUYRKSA-N	-1	0	273.329	0.820	20	30		CCEDRM
C=C(C)COCCNC(=O)N[C@@H](C(=O)[O-])c1ccn(C)n1	ZINC000576454242	335205021	/nfs/dbraw/zinc/20/50/21/335205021.db2.gz	CJEAIABFUSTKSR-LLVKDONJSA-N	-1	0	296.327	0.438	20	30		CCEDRM
C=C(C)COCCNC(=O)N[C@](C)(COC)C(=O)[O-]	ZINC000380986761	336042603	/nfs/dbraw/zinc/04/26/03/336042603.db2.gz	FSKFSAPUTWKVLZ-GFCCVEGCSA-N	-1	0	274.317	0.368	20	30		CCEDRM
Cc1n[n-]c(=NC(=O)c2ccc(C#N)cn2)n1C1CC1	ZINC000581361384	336060642	/nfs/dbraw/zinc/06/06/42/336060642.db2.gz	ZJCSWLYPKVHGGP-UHFFFAOYSA-N	-1	0	268.280	0.862	20	30		CCEDRM
C=CCOC[C@H](NC(=O)NCCc1ccco1)C(=O)[O-]	ZINC000581363152	336061165	/nfs/dbraw/zinc/06/11/65/336061165.db2.gz	KUARXAZLNKZQAD-NSHDSACASA-N	-1	0	282.296	0.777	20	30		CCEDRM
C=CCOC[C@@H](NC(=O)NC1CC(C)C1)C(=O)[O-]	ZINC000581704390	336131244	/nfs/dbraw/zinc/13/12/44/336131244.db2.gz	DTMBIXSZNKWJRX-UDNWOFFPSA-N	-1	0	256.302	0.740	20	30		CCEDRM
CNC(=O)CN1CCC(NC(=O)N=c2cn[n-]s2)CC1	ZINC000330268228	526397149	/nfs/dbraw/zinc/39/71/49/526397149.db2.gz	QZZGMOKXKUOWRT-UHFFFAOYSA-N	-1	0	298.372	0.915	20	30		CCEDRM
C=CCN=c1[n-]nc(S(=O)(=O)CCCC#N)s1	ZINC000352386679	526521454	/nfs/dbraw/zinc/52/14/54/526521454.db2.gz	DOGVQGUXLBCXGC-UHFFFAOYSA-N	-1	0	272.355	0.635	20	30		CCEDRM
C=CCOC[C@H](NC(=O)[C@H](OC)C1CCC1)C(=O)[O-]	ZINC000668290397	545171402	/nfs/dbraw/zinc/17/14/02/545171402.db2.gz	PWOJONKMFSZEJD-WDEREUQCSA-N	-1	0	271.313	0.574	20	30		CCEDRM
COCC#CCN1CCN(C(=O)c2cccc(O)c2)CC1	ZINC000677479161	545366169	/nfs/dbraw/zinc/36/61/69/545366169.db2.gz	MYWZEZUIZUJKEH-UHFFFAOYSA-N	-1	0	288.347	0.800	20	30		CCEDRM
CN(CCC(=O)[O-])S(=O)(=O)c1ccc(C#N)c(F)c1	ZINC000263108712	536311712	/nfs/dbraw/zinc/31/17/12/536311712.db2.gz	POJOOGGPVRVDGR-UHFFFAOYSA-N	-1	0	286.284	0.793	20	30		CCEDRM
C=CC[C@H](NS(=O)(=O)C[C@@H]1CCCCO1)C(=O)[O-]	ZINC000681557881	545456187	/nfs/dbraw/zinc/45/61/87/545456187.db2.gz	JQXRGONNYCJIND-UWVGGRQHSA-N	-1	0	277.342	0.504	20	30		CCEDRM
CC#CC[C@@H](NS(=O)(=O)CC[C@@H]1CCCO1)C(=O)[O-]	ZINC000681579718	545456822	/nfs/dbraw/zinc/45/68/22/545456822.db2.gz	RHDUUQHTFVRSOK-WDEREUQCSA-N	-1	0	289.353	0.342	20	30		CCEDRM
O=C([O-])COc1cccc(C=NN[C@@H]2CCOC2)c1	ZINC000788457813	581112483	/nfs/dbraw/zinc/11/24/83/581112483.db2.gz	XAYWVJDRRZJNIU-LLVKDONJSA-N	-1	0	264.281	0.862	20	30		CCEDRM
O=C([O-])COc1cccc(C=NN[C@H]2CCOC2)c1	ZINC000788457814	581112509	/nfs/dbraw/zinc/11/25/09/581112509.db2.gz	XAYWVJDRRZJNIU-NSHDSACASA-N	-1	0	264.281	0.862	20	30		CCEDRM
C[C@@H](NC(=O)[O-])C(=O)NCCOc1ccc(C#N)cc1	ZINC000738992899	581113943	/nfs/dbraw/zinc/11/39/43/581113943.db2.gz	CIUDKAHMNGTVPZ-SECBINFHSA-N	-1	0	277.280	0.709	20	30		CCEDRM
CCN(CC(=O)N(CCC#N)CCOC)C(=O)[O-]	ZINC000739385621	581125858	/nfs/dbraw/zinc/12/58/58/581125858.db2.gz	BQBDVCSFFFUBPE-UHFFFAOYSA-N	-1	0	257.290	0.375	20	30		CCEDRM
CCN(CC(=O)OCCNc1ncccc1C#N)C(=O)[O-]	ZINC000739407229	581132233	/nfs/dbraw/zinc/13/22/33/581132233.db2.gz	XFBGWGMJHYHIPT-UHFFFAOYSA-N	-1	0	292.295	0.908	20	30		CCEDRM
COCCNC(=O)C(C#N)=C([O-])c1nc(Cl)cs1	ZINC000789405180	581147726	/nfs/dbraw/zinc/14/77/26/581147726.db2.gz	VZMREVYQXDKFAW-LURJTMIESA-N	-1	0	287.728	0.882	20	30		CCEDRM
C=C(C)CCOC(=O)Cn1[n-]cc2c(=O)ncnc1-2	ZINC000744304905	581148510	/nfs/dbraw/zinc/14/85/10/581148510.db2.gz	HHCQCIGBEJNQTC-UHFFFAOYSA-N	-1	0	262.269	0.581	20	30		CCEDRM
Cc1c(C(=O)/C=C\c2cn(CC(=O)[O-])nn2)cnn1C	ZINC000778517353	581158628	/nfs/dbraw/zinc/15/86/28/581158628.db2.gz	IXOWHVLBZJUTIV-ARJAWSKDSA-N	-1	0	275.268	0.301	20	30		CCEDRM
N#C[C@@H]1CN(Cn2ncc3cc(C(=O)[O-])ccc32)CCO1	ZINC000739070276	581166357	/nfs/dbraw/zinc/16/63/57/581166357.db2.gz	YSGAQJQOVHDHDL-GFCCVEGCSA-N	-1	0	286.291	0.916	20	30		CCEDRM
N#CCCNC(=O)COC(=O)c1ccccc1C(=O)[O-]	ZINC000739075954	581171015	/nfs/dbraw/zinc/17/10/15/581171015.db2.gz	PWPNOKSAIJCPJQ-UHFFFAOYSA-N	-1	0	276.248	0.571	20	30		CCEDRM
N#CCN(CC(=O)[O-])C(=O)CCc1ccccc1O	ZINC000739078063	581172294	/nfs/dbraw/zinc/17/22/94/581172294.db2.gz	XLNYPLSKVQKGSQ-UHFFFAOYSA-N	-1	0	262.265	0.762	20	30		CCEDRM
N#CCN(CC(=O)[O-])C(=O)c1ccccc1[N+](=O)[O-]	ZINC000739088268	581175310	/nfs/dbraw/zinc/17/53/10/581175310.db2.gz	TVWDTHBMMCXQQQ-UHFFFAOYSA-N	-1	0	263.209	0.645	20	30		CCEDRM
COc1cncc(C([O-])=C(C#N)C(=O)N2CCCC2)n1	ZINC000791770640	581233273	/nfs/dbraw/zinc/23/32/73/581233273.db2.gz	ZPQMZTRHHQQLDA-SECBINFHSA-N	-1	0	274.280	0.430	20	30		CCEDRM
C=CCCOCC(=O)[N-]S(=O)(=O)C[C@H]1CCCCO1	ZINC000726348107	581237732	/nfs/dbraw/zinc/23/77/32/581237732.db2.gz	FZTUFIVYJMCFBY-LLVKDONJSA-N	-1	0	291.369	0.594	20	30		CCEDRM
N#CCSCC(=O)[N-]S(=O)(=O)C[C@H]1CCCCO1	ZINC000726348913	581237753	/nfs/dbraw/zinc/23/77/53/581237753.db2.gz	AZEJKXLMPGIXFM-SECBINFHSA-N	-1	0	292.382	0.258	20	30		CCEDRM
Cc1c(Cl)c(C(=O)[O-])nn1CN1CCO[C@@H](C#N)C1	ZINC000738292209	581246548	/nfs/dbraw/zinc/24/65/48/581246548.db2.gz	ZZWLKCRNVNMGMA-QMMMGPOBSA-N	-1	0	284.703	0.725	20	30		CCEDRM
Cc1cc(C#N)ccc1S(=O)(=O)N(CC#N)CC(=O)[O-]	ZINC000738314169	581258328	/nfs/dbraw/zinc/25/83/28/581258328.db2.gz	VNKKXWOTRMCWNK-UHFFFAOYSA-N	-1	0	293.304	0.466	20	30		CCEDRM
CC(C)(C)n1cc(C([O-])=C(C#N)C(=O)N2CCCC2)nn1	ZINC000791769326	581268101	/nfs/dbraw/zinc/26/81/01/581268101.db2.gz	LMDJMRVRPPACBB-SNVBAGLBSA-N	-1	0	289.339	0.978	20	30		CCEDRM
CC[C@H](NN=Cc1cc(C(=O)OC)co1)C(=O)[O-]	ZINC000793077888	581283720	/nfs/dbraw/zinc/28/37/20/581283720.db2.gz	JFTKMEMJWQDGHA-VIFPVBQESA-N	-1	0	254.242	0.853	20	30		CCEDRM
COCCCNC(=O)C(C#N)=C([O-])c1ccnc(C)c1	ZINC000793122875	581284563	/nfs/dbraw/zinc/28/45/63/581284563.db2.gz	JNEBGEOMTWMGGQ-GFCCVEGCSA-N	-1	0	275.308	0.865	20	30		CCEDRM
CC(C)OCC(=O)[N-]S(=O)(=O)CC1(C#N)CC1	ZINC000793193891	581287792	/nfs/dbraw/zinc/28/77/92/581287792.db2.gz	DSBKMQDLLJIZLX-UHFFFAOYSA-N	-1	0	260.315	0.161	20	30		CCEDRM
C#CCCCC(=O)[N-]S(=O)(=O)Cc1ccccn1	ZINC000793312149	581294150	/nfs/dbraw/zinc/29/41/50/581294150.db2.gz	LXAARCRQHYAYTJ-UHFFFAOYSA-N	-1	0	266.322	0.831	20	30		CCEDRM
N#Cc1ccc([C@@H](C(N)=O)N2CCC[C@@H](C(=O)[O-])C2)cc1	ZINC000738430719	581319069	/nfs/dbraw/zinc/31/90/69/581319069.db2.gz	NTTPEMJFYCIZTA-OLZOCXBDSA-N	-1	0	287.319	0.881	20	30		CCEDRM
N#CC1(C(=O)N2CCC[C@@H](CNC(=O)[O-])C2)CCOCC1	ZINC000740309078	581322958	/nfs/dbraw/zinc/32/29/58/581322958.db2.gz	DGXSQQKBODPHQE-NSHDSACASA-N	-1	0	295.339	0.813	20	30		CCEDRM
N#CCCCS(=O)(=O)N1CCC(CNC(=O)[O-])CC1	ZINC000740306066	581323067	/nfs/dbraw/zinc/32/30/67/581323067.db2.gz	AEXAQOQUDNLLTE-UHFFFAOYSA-N	-1	0	289.357	0.600	20	30		CCEDRM
N#Cc1ccc(CC(=O)N[C@@H]2CCN(C(=O)[O-])C2)cc1	ZINC000740313482	581323994	/nfs/dbraw/zinc/32/39/94/581323994.db2.gz	TVXNCAFWAUGIIM-GFCCVEGCSA-N	-1	0	273.292	0.969	20	30		CCEDRM
C#CCCN1CCN(C(=O)[C@@H]2CCC[C@@H]2NC(=O)[O-])CC1	ZINC000738457720	581332116	/nfs/dbraw/zinc/33/21/16/581332116.db2.gz	VHXOMFBNTSPLMQ-OLZOCXBDSA-N	-1	0	293.367	0.590	20	30		CCEDRM
C[C@@H]1C(=O)CC[C@H]1CC(=O)[N-]S(=O)(=O)CCCC#N	ZINC000796812986	581363093	/nfs/dbraw/zinc/36/30/93/581363093.db2.gz	RELUBEWOMFLZIJ-UWVGGRQHSA-N	-1	0	286.353	0.741	20	30		CCEDRM
CC(C)[C@H](F)C(=O)[N-]S(=O)(=O)CCCC#N	ZINC000784540653	581387384	/nfs/dbraw/zinc/38/73/84/581387384.db2.gz	LBKXBEVZLSGAOF-QMMMGPOBSA-N	-1	0	250.295	0.730	20	30		CCEDRM
COC(=O)c1ccc([N-]N=C2C(=O)OC[C@@H]2C)nc1	ZINC000794921808	581391086	/nfs/dbraw/zinc/39/10/86/581391086.db2.gz	GCLNDAMWDRSXLV-ZETCQYMHSA-N	-1	0	263.253	0.829	20	30		CCEDRM
N#CCCCS(=O)(=O)[N-]C(=O)C[C@H]1CCCOC1	ZINC000796812023	581451115	/nfs/dbraw/zinc/45/11/15/581451115.db2.gz	LGAZKAYMSQWXNZ-SNVBAGLBSA-N	-1	0	274.342	0.553	20	30		CCEDRM
CCN(C)S(=O)(=O)[N-]C(=O)c1ccc(C#N)o1	ZINC000796924081	581455084	/nfs/dbraw/zinc/45/50/84/581455084.db2.gz	WOJLEYIJWOLSIR-UHFFFAOYSA-N	-1	0	257.271	0.078	20	30		CCEDRM
CC(C)n1cc(C(=O)[N-]S(=O)(=O)CC(C)(C)C#N)nn1	ZINC000797029908	581458263	/nfs/dbraw/zinc/45/82/63/581458263.db2.gz	ATHWGOZHTMPVCX-UHFFFAOYSA-N	-1	0	299.356	0.468	20	30		CCEDRM
N#CCCCS(=O)(=O)[N-]C(=O)c1cncs1	ZINC000797030816	581458289	/nfs/dbraw/zinc/45/82/89/581458289.db2.gz	IEJSXLVYCNWYDJ-UHFFFAOYSA-N	-1	0	259.312	0.506	20	30		CCEDRM
N#Cc1ccc(C(=O)[N-]S(=O)(=O)Cc2ccccn2)o1	ZINC000797215728	581462091	/nfs/dbraw/zinc/46/20/91/581462091.db2.gz	RKWRBVHMZGCIBH-UHFFFAOYSA-N	-1	0	291.288	0.806	20	30		CCEDRM
N#Cc1ccc(NCCNC(=O)[C@@H]2C[C@@H]2C(=O)[O-])nc1	ZINC000739120677	581507854	/nfs/dbraw/zinc/50/78/54/581507854.db2.gz	BZRMYSKKUYTGOV-ZJUUUORDSA-N	-1	0	274.280	0.202	20	30		CCEDRM
N#Cc1ccc(NC(=O)COC(=O)CCNC(=O)[O-])cc1	ZINC000739122259	581507907	/nfs/dbraw/zinc/50/79/07/581507907.db2.gz	CXMHDXIRRPZUBT-UHFFFAOYSA-N	-1	0	291.263	0.698	20	30		CCEDRM
N#Cc1cccc(C(=O)Nc2n[nH]c(CC(=O)[O-])n2)c1	ZINC000739132472	581509799	/nfs/dbraw/zinc/50/97/99/581509799.db2.gz	SFYSNYNAGCUUSN-UHFFFAOYSA-N	-1	0	271.236	0.556	20	30		CCEDRM
C[C@@H]1CN(C(=O)CSCC#N)CC[C@@H]1NC(=O)[O-]	ZINC000739138937	581511163	/nfs/dbraw/zinc/51/11/63/581511163.db2.gz	SDSCKRSFDUXRAU-BDAKNGLRSA-N	-1	0	271.342	0.748	20	30		CCEDRM
C[C@@H]1CN(CC(=O)N[C@@](C)(C#N)C2CC2)CCN1C(=O)[O-]	ZINC000739176593	581517173	/nfs/dbraw/zinc/51/71/73/581517173.db2.gz	UJECDLHMGNTJML-YGRLFVJLSA-N	-1	0	294.355	0.479	20	30		CCEDRM
COCCCNC(=O)C(C#N)=C([O-])c1cn(C)nc1C	ZINC000733678326	581518131	/nfs/dbraw/zinc/51/81/31/581518131.db2.gz	XZWNTQBWWKCTBU-JTQLQIEISA-N	-1	0	278.312	0.204	20	30		CCEDRM
C#CCOc1ccc(NC(=O)c2n[nH]c(=O)[n-]c2=O)cc1	ZINC000765484873	581518869	/nfs/dbraw/zinc/51/88/69/581518869.db2.gz	LVOFXAGGQQKCON-UHFFFAOYSA-N	-1	0	286.247	0.547	20	30		CCEDRM
CC(C)[C@H](CNC(=O)C1(C#N)CCOCC1)NC(=O)[O-]	ZINC000738780455	581525097	/nfs/dbraw/zinc/52/50/97/581525097.db2.gz	ZJYVHYSEGLNSMC-JTQLQIEISA-N	-1	0	283.328	0.715	20	30		CCEDRM
CCN(CC(=O)N1CCN([C@H](C#N)C(C)C)CC1)C(=O)[O-]	ZINC000739394684	581546250	/nfs/dbraw/zinc/54/62/50/581546250.db2.gz	SIAQISBJERZKNO-GFCCVEGCSA-N	-1	0	296.371	0.679	20	30		CCEDRM
CCN(C[C@@H](C)C#N)C(=O)CN(C)[C@@H](C)CNC(=O)[O-]	ZINC000739405608	581547812	/nfs/dbraw/zinc/54/78/12/581547812.db2.gz	XUXIOHVZUYTYQC-QWRGUYRKSA-N	-1	0	284.360	0.582	20	30		CCEDRM
CCN(CCNC(=O)c1ccc(C#N)cn1)C(=O)[O-]	ZINC000739434277	581552560	/nfs/dbraw/zinc/55/25/60/581552560.db2.gz	NQISKZPWQYFBEZ-UHFFFAOYSA-N	-1	0	262.269	0.683	20	30		CCEDRM
N#Cc1ccc([O-])c(NC(=O)C(=O)NCC(F)F)c1	ZINC000753986156	581568908	/nfs/dbraw/zinc/56/89/08/581568908.db2.gz	KTJVVOAPBHSCEJ-UHFFFAOYSA-N	-1	0	269.207	0.584	20	30		CCEDRM
C=CC[C@H](NC(=O)c1n[nH]c(=O)[n-]1)c1ccncc1	ZINC000734554381	581572033	/nfs/dbraw/zinc/57/20/33/581572033.db2.gz	BEVYXMYHYURVGX-VIFPVBQESA-N	-1	0	259.269	0.953	20	30		CCEDRM
CN(CCCNC(=O)[O-])C(=O)C1(C#N)CCOCC1	ZINC000739675060	581591163	/nfs/dbraw/zinc/59/11/63/581591163.db2.gz	UCGKWPWNHNDEMC-UHFFFAOYSA-N	-1	0	269.301	0.423	20	30		CCEDRM
CN(CCCNC(=O)[O-])S(=O)(=O)c1ccc(C#N)nc1	ZINC000739678251	581591788	/nfs/dbraw/zinc/59/17/88/581591788.db2.gz	AZZFQDTYXVWRAP-UHFFFAOYSA-N	-1	0	298.324	0.231	20	30		CCEDRM
C#CCCS(=O)(=O)[N-]C(=O)[C@H](C)C1CCOCC1	ZINC000788067157	581610116	/nfs/dbraw/zinc/61/01/16/581610116.db2.gz	CEQNPBRUEPFZAW-SNVBAGLBSA-N	-1	0	273.354	0.518	20	30		CCEDRM
C=CCOCC(=O)[N-]S(=O)(=O)c1cccs1	ZINC000729884390	581617955	/nfs/dbraw/zinc/61/79/55/581617955.db2.gz	SQOPZZGPHJXOLG-UHFFFAOYSA-N	-1	0	261.324	0.756	20	30		CCEDRM
CC#CCCCC(=O)[N-]S(=O)(=O)[C@@H](C)COC	ZINC000767989501	581640172	/nfs/dbraw/zinc/64/01/72/581640172.db2.gz	MRZDFRRYKACAMY-JTQLQIEISA-N	-1	0	261.343	0.661	20	30		CCEDRM
CC#CCS(=O)(=O)[N-]C(=O)c1ccccc1OCC#N	ZINC000788072423	581657290	/nfs/dbraw/zinc/65/72/90/581657290.db2.gz	VGTGZFCIKUSVAR-UHFFFAOYSA-N	-1	0	292.316	0.672	20	30		CCEDRM
N#C[C@@H]1CN(C(=O)NCCN(C(=O)[O-])C2CC2)CCO1	ZINC000740306105	581662881	/nfs/dbraw/zinc/66/28/81/581662881.db2.gz	BIELIIIUHDIJBW-SNVBAGLBSA-N	-1	0	282.300	0.063	20	30		CCEDRM
N#CCN1CCC(NC(=O)N2CC[C@@H](NC(=O)[O-])C2)CC1	ZINC000740305986	581662897	/nfs/dbraw/zinc/66/28/97/581662897.db2.gz	ZGNQPZJYKYIWAX-LLVKDONJSA-N	-1	0	295.343	0.026	20	30		CCEDRM
N#C[C@@H]1CN(C(=O)NCC[C@@H]2CCN(C(=O)[O-])C2)CCO1	ZINC000740306844	581662900	/nfs/dbraw/zinc/66/29/00/581662900.db2.gz	LRIGBLPJUBSVCY-GHMZBOCLSA-N	-1	0	296.327	0.310	20	30		CCEDRM
N#CCCCCS(=O)(=O)N1CCC(NC(=O)[O-])CC1	ZINC000740307159	581663439	/nfs/dbraw/zinc/66/34/39/581663439.db2.gz	PDSPGJHFDMFZKZ-UHFFFAOYSA-N	-1	0	289.357	0.742	20	30		CCEDRM
N#C[C@@H]1CN(C(=O)C2CCC(NC(=O)[O-])CC2)CCO1	ZINC000740308705	581663490	/nfs/dbraw/zinc/66/34/90/581663490.db2.gz	AVVJJRUBMAPBSV-VQXHTEKXSA-N	-1	0	281.312	0.564	20	30		CCEDRM
N#C[C@@H]1CN(C(=O)NC2CCC(NC(=O)[O-])CC2)CCO1	ZINC000740307783	581663510	/nfs/dbraw/zinc/66/35/10/581663510.db2.gz	TYOMPNAEJXIGJC-VQXHTEKXSA-N	-1	0	296.327	0.499	20	30		CCEDRM
N#Cc1ccc(S(=O)(=O)N2CC[C@H](NC(=O)[O-])C2)cc1	ZINC000740321628	581665426	/nfs/dbraw/zinc/66/54/26/581665426.db2.gz	PXQHEMVULQACON-JTQLQIEISA-N	-1	0	295.320	0.589	20	30		CCEDRM
C=C(C)[C@@H](CC(=O)[N-]S(=O)(=O)[C@@H]1CCOC1)OCC	ZINC000756565139	581671997	/nfs/dbraw/zinc/67/19/97/581671997.db2.gz	SRBHLAMVULHGMS-GHMZBOCLSA-N	-1	0	291.369	0.593	20	30		CCEDRM
C#CCN(Cc1ccoc1C(=O)[O-])[C@@H]1CCS(=O)(=O)C1	ZINC000736080299	581688173	/nfs/dbraw/zinc/68/81/73/581688173.db2.gz	SIRCHJCUKFDRKZ-LLVKDONJSA-N	-1	0	297.332	0.600	20	30		CCEDRM
C#CCCNC(=O)C(=O)Nc1ccc(C(=O)[O-])cc1	ZINC000736076536	581694441	/nfs/dbraw/zinc/69/44/41/581694441.db2.gz	INDQVBRVSBHFKM-UHFFFAOYSA-N	-1	0	260.249	0.463	20	30		CCEDRM
C=CCN(CC=C)C(=O)[C@@H](C)N1CCO[C@@H](C(=O)[O-])C1	ZINC000736107929	581697471	/nfs/dbraw/zinc/69/74/71/581697471.db2.gz	AZUBNPSYQSPKCR-VXGBXAGGSA-N	-1	0	282.340	0.361	20	30		CCEDRM
C#Cc1ccc(C(=O)N[C@@H]2CCCN(C(=O)[O-])C2)cn1	ZINC000736093309	581700957	/nfs/dbraw/zinc/70/09/57/581700957.db2.gz	RIOQBGOZCGDREI-GFCCVEGCSA-N	-1	0	273.292	0.935	20	30		CCEDRM
C#Cc1ccc(C(=O)N2CCC[C@H](C(=O)[O-])C2)cn1	ZINC000736092363	581701368	/nfs/dbraw/zinc/70/13/68/581701368.db2.gz	FSYYCCFHVJTPTB-NSHDSACASA-N	-1	0	258.277	1.000	20	30		CCEDRM
C=CC1CCN(Cn2nc(C(=O)[O-])ccc2=O)CC1	ZINC000736096500	581702243	/nfs/dbraw/zinc/70/22/43/581702243.db2.gz	ODXHJPLQKIXNPF-UHFFFAOYSA-N	-1	0	263.297	0.797	20	30		CCEDRM
CC(C)[C@@](C)(C#N)NC(=O)[C@@H](C)N1CCO[C@@H](C(=O)[O-])C1	ZINC000736212483	581716119	/nfs/dbraw/zinc/71/61/19/581716119.db2.gz	SPGQEAJWBIYSQR-JTNHKYCSSA-N	-1	0	297.355	0.215	20	30		CCEDRM
N#Cc1cccc(NC(=O)Cn2[n-]cc3c(=O)ncnc2-3)c1	ZINC000730513023	581716298	/nfs/dbraw/zinc/71/62/98/581716298.db2.gz	UGHZOVPEEPUOPQ-UHFFFAOYSA-N	-1	0	294.274	0.582	20	30		CCEDRM
CCN(CCC#N)C(=O)CN1CCC(N(C)C(=O)[O-])CC1	ZINC000737850004	581725952	/nfs/dbraw/zinc/72/59/52/581725952.db2.gz	VYTOTSYUROJDDT-UHFFFAOYSA-N	-1	0	296.371	0.823	20	30		CCEDRM
CCc1noc([C@@H](C)n2ccc(C=NO)nc2=O)n1	ZINC000736302097	581733176	/nfs/dbraw/zinc/73/31/76/581733176.db2.gz	FWAXQMHYYDTGNL-SSDOTTSWSA-N	-1	0	263.257	0.606	20	30		CCEDRM
C=CCOCC(=O)[N-]S(=O)(=O)CC1(C#N)CCC1	ZINC000771071358	581789255	/nfs/dbraw/zinc/78/92/55/581789255.db2.gz	MMGUAJZHUOQLTH-UHFFFAOYSA-N	-1	0	272.326	0.329	20	30		CCEDRM
N#Cc1ccccc1NC(=O)Cn1[n-]cc2c(=O)ncnc1-2	ZINC000731956264	581796096	/nfs/dbraw/zinc/79/60/96/581796096.db2.gz	CEQIOLNFKAUGGK-UHFFFAOYSA-N	-1	0	294.274	0.582	20	30		CCEDRM
CCc1nn(CCC#N)c(=O)c(-c2nnn[n-]2)c1CC	ZINC000736705318	581821748	/nfs/dbraw/zinc/82/17/48/581821748.db2.gz	FVIMJWNWFRURLT-UHFFFAOYSA-N	-1	0	273.300	0.462	20	30		CCEDRM
C=CCNC(=O)C(C#N)=C([O-])c1cc(C2CC2)n(C)n1	ZINC000744031518	581830487	/nfs/dbraw/zinc/83/04/87/581830487.db2.gz	ZLTVZLMFILFCJJ-SNVBAGLBSA-N	-1	0	272.308	0.922	20	30		CCEDRM
C=CCS(=O)(=O)[N-]C(=O)[C@@H]1CCC[C@@H](C(=O)OC)C1	ZINC000772711084	581885145	/nfs/dbraw/zinc/88/51/45/581885145.db2.gz	VKZYJTPNCZLDNC-NXEZZACHSA-N	-1	0	289.353	0.598	20	30		CCEDRM
C=CCS(=O)(=O)[N-]C(=O)CCOC[C@@H]1CCCO1	ZINC000772720896	581886576	/nfs/dbraw/zinc/88/65/76/581886576.db2.gz	ZDKACUNSISFCGE-JTQLQIEISA-N	-1	0	277.342	0.204	20	30		CCEDRM
Cc1cc([O-])cc2c1C(=O)C(=NNCCS(C)(=O)=O)O2	ZINC000733203801	581890086	/nfs/dbraw/zinc/89/00/86/581890086.db2.gz	AILDNUKGBDDGEU-UHFFFAOYSA-N	-1	0	298.320	0.223	20	30		CCEDRM
CN1CCN(N=Cc2cccc(OCC(=O)[O-])c2)CC1	ZINC000733201268	581890105	/nfs/dbraw/zinc/89/01/05/581890105.db2.gz	QCAVWISQJBGDAG-UHFFFAOYSA-N	-1	0	277.324	0.731	20	30		CCEDRM
CCN(C[C@H](C)C#N)C(=O)CN(C)C(C)(C)C(=O)[O-]	ZINC000737080072	581898688	/nfs/dbraw/zinc/89/86/88/581898688.db2.gz	WTTSZMBDRXOIIX-SNVBAGLBSA-N	-1	0	269.345	0.790	20	30		CCEDRM
NS(=O)(=O)c1ccccc1NN=Cc1ccc(O)cn1	ZINC000773120807	581909797	/nfs/dbraw/zinc/90/97/97/581909797.db2.gz	KQGBFZOXQGQWIJ-UHFFFAOYSA-N	-1	0	292.320	0.881	20	30		CCEDRM
N#Cc1cc(C(=O)N2CCSC[C@@H]2c2nnn[n-]2)c[nH]1	ZINC000773157576	581911186	/nfs/dbraw/zinc/91/11/86/581911186.db2.gz	FMGGTPNGIKGDRJ-SECBINFHSA-N	-1	0	289.324	0.330	20	30		CCEDRM
Cc1nnc(N=NC(C)Cn2ccccc2=O)[n-]c1=O	ZINC000761748143	581919113	/nfs/dbraw/zinc/91/91/13/581919113.db2.gz	AVWUHNLVOALDHE-UHFFFAOYSA-N	-1	0	274.284	0.535	20	30		CCEDRM
C=CCCOCC(=O)[N-]S(=O)(=O)CCCF	ZINC000747135952	581933456	/nfs/dbraw/zinc/93/34/56/581933456.db2.gz	XNRLWZPBPRJTEA-UHFFFAOYSA-N	-1	0	253.295	0.385	20	30		CCEDRM
COCCNC(=O)C(C#N)=C([O-])c1nccs1	ZINC000774042188	581954601	/nfs/dbraw/zinc/95/46/01/581954601.db2.gz	DNXJELHPYBELNY-ZETCQYMHSA-N	-1	0	253.283	0.228	20	30		CCEDRM
CN(Cc1ccc(C#N)cc1)Cn1nc(C(=O)[O-])ccc1=O	ZINC000737452021	581960284	/nfs/dbraw/zinc/96/02/84/581960284.db2.gz	VIRPEBVKGWIKMB-UHFFFAOYSA-N	-1	0	298.302	0.903	20	30		CCEDRM
C#CCN(CCCCC(=O)[O-])[C@H]1CCS(=O)(=O)C1	ZINC000737492742	581965594	/nfs/dbraw/zinc/96/55/94/581965594.db2.gz	OYTTZAQFQAPYCT-NSHDSACASA-N	-1	0	273.354	0.364	20	30		CCEDRM
N#Cc1ccc([O-])c(NC(=O)CNC(=O)C2CC2)c1	ZINC000748411070	581974158	/nfs/dbraw/zinc/97/41/58/581974158.db2.gz	IZLHMJQSEFJRGQ-UHFFFAOYSA-N	-1	0	259.265	0.729	20	30		CCEDRM
N#CC1(CS(=O)(=O)[N-]C(=O)C2CCC(=O)CC2)CCC1	ZINC000774501196	581977222	/nfs/dbraw/zinc/97/72/22/581977222.db2.gz	BFYGPSMCCHAGSF-UHFFFAOYSA-N	-1	0	298.364	0.886	20	30		CCEDRM
CCOCCCNC(=O)C(C#N)=C([O-])c1ccn(C)c1	ZINC000763468806	581999885	/nfs/dbraw/zinc/99/98/85/581999885.db2.gz	IYLVWDLUBDPCTQ-LBPRGKRZSA-N	-1	0	277.324	0.890	20	30		CCEDRM
CS(=O)(=O)CCNN=Cc1cc(F)c([O-])c(F)c1	ZINC000749857986	582024914	/nfs/dbraw/zinc/02/49/14/582024914.db2.gz	GDNZAULEQVKSJQ-UHFFFAOYSA-N	-1	0	278.280	0.639	20	30		CCEDRM
C=CCCO[C@H](C)C(=O)[N-]S(=O)(=O)C[C@H](C)OC	ZINC000764187451	582034443	/nfs/dbraw/zinc/03/44/43/582034443.db2.gz	QTUCVCALLOCSNM-VHSXEESVSA-N	-1	0	279.358	0.449	20	30		CCEDRM
C#CCOc1ccccc1NC(=O)c1n[nH]c(=O)[n-]c1=O	ZINC000775947830	582046965	/nfs/dbraw/zinc/04/69/65/582046965.db2.gz	CZHYMQBBHUCOSK-UHFFFAOYSA-N	-1	0	286.247	0.547	20	30		CCEDRM
Cc1cc(NC(=O)[C@@H]2C[C@@H]2C(=O)[O-])n(CCC#N)n1	ZINC000738422069	582047771	/nfs/dbraw/zinc/04/77/71/582047771.db2.gz	KBOSWKBMTGSHLO-BDAKNGLRSA-N	-1	0	262.269	0.764	20	30		CCEDRM
N#Cc1cccnc1NCCOC(=O)CCNC(=O)[O-]	ZINC000738435440	582048844	/nfs/dbraw/zinc/04/88/44/582048844.db2.gz	MBNPFEZSWYHDFY-UHFFFAOYSA-N	-1	0	278.268	0.566	20	30		CCEDRM
N#Cc1cccc(OCC(=O)N2CCO[C@@H](C(=O)[O-])C2)c1	ZINC000738433808	582048992	/nfs/dbraw/zinc/04/89/92/582048992.db2.gz	LCKDCPGJZHZJCB-GFCCVEGCSA-N	-1	0	290.275	0.249	20	30		CCEDRM
Cc1ccncc1C(=O)[N-]S(=O)(=O)CCCC#N	ZINC000776117934	582052189	/nfs/dbraw/zinc/05/21/89/582052189.db2.gz	ZSRJQCADJIEPMA-UHFFFAOYSA-N	-1	0	267.310	0.753	20	30		CCEDRM
C#CCCNC(=O)NCC[C@H]1CCN(C(=O)[O-])C1	ZINC000738457528	582052610	/nfs/dbraw/zinc/05/26/10/582052610.db2.gz	PYHWSSAPKAPHKR-JTQLQIEISA-N	-1	0	253.302	0.699	20	30		CCEDRM
CC(C)SCC(=O)[N-]S(=O)(=O)CCCC#N	ZINC000776122465	582052921	/nfs/dbraw/zinc/05/29/21/582052921.db2.gz	QYFVVKJGESKTEA-UHFFFAOYSA-N	-1	0	264.372	0.878	20	30		CCEDRM
C#CCN1CCC[C@H]1C(=O)N1C[C@@H](C)N(C(=O)[O-])[C@H](C)C1	ZINC000738461257	582053242	/nfs/dbraw/zinc/05/32/42/582053242.db2.gz	QDXGLBWCUBRTMV-UPJWGTAASA-N	-1	0	293.367	0.683	20	30		CCEDRM
CC[C@@H](C)OCC(=O)[N-]S(=O)(=O)CC(C)(C)C#N	ZINC000776135890	582053505	/nfs/dbraw/zinc/05/35/05/582053505.db2.gz	IINPVIFACJZXID-SECBINFHSA-N	-1	0	276.358	0.797	20	30		CCEDRM
CCO[C@H]1C[C@H]1C(=O)[N-]S(=O)(=O)CC(C)(C)C#N	ZINC000776143224	582054097	/nfs/dbraw/zinc/05/40/97/582054097.db2.gz	UULMGORQJMAJBQ-BDAKNGLRSA-N	-1	0	274.342	0.407	20	30		CCEDRM
C#CCSCCNC(=O)[C@H]1CCN(C(=O)[O-])C1	ZINC000738470307	582054245	/nfs/dbraw/zinc/05/42/45/582054245.db2.gz	NVNUIYUVCLNCHO-VIFPVBQESA-N	-1	0	256.327	0.469	20	30		CCEDRM
C=CCCC(=O)NCCCN1CCN(C(=O)[O-])CC1	ZINC000738489324	582055276	/nfs/dbraw/zinc/05/52/76/582055276.db2.gz	UBCYZESTVJVDTI-UHFFFAOYSA-N	-1	0	269.345	0.755	20	30		CCEDRM
C[C@@H](C#N)CN(C)C(=O)N[C@@H](CNC(=O)[O-])C1CC1	ZINC000738596233	582064415	/nfs/dbraw/zinc/06/44/15/582064415.db2.gz	HHPSAVSRCICBIV-WPRPVWTQSA-N	-1	0	268.317	0.834	20	30		CCEDRM
C[C@H](C#N)OC(=O)c1csc(CNC(=O)[O-])n1	ZINC000738602682	582064852	/nfs/dbraw/zinc/06/48/52/582064852.db2.gz	NHARUMVPZPMNKG-RXMQYKEDSA-N	-1	0	255.255	0.980	20	30		CCEDRM
N#CCCCS(=O)(=O)[N-]C(=O)c1ccc2cc[nH]c2n1	ZINC000764792335	582069237	/nfs/dbraw/zinc/06/92/37/582069237.db2.gz	ZEYKYJZDUWDABS-UHFFFAOYSA-N	-1	0	292.320	0.926	20	30		CCEDRM
CC(C)[C@H](CNS(=O)(=O)CCCCC#N)NC(=O)[O-]	ZINC000738793928	582077380	/nfs/dbraw/zinc/07/73/80/582077380.db2.gz	NSIQLEIZPDHUNH-JTQLQIEISA-N	-1	0	291.373	0.892	20	30		CCEDRM
N#CC1(CS(=O)(=O)N[C@H](CC(=O)[O-])C2CC2)CC1	ZINC000776573999	582078918	/nfs/dbraw/zinc/07/89/18/582078918.db2.gz	GZXDQFYGHZMMMB-SECBINFHSA-N	-1	0	272.326	0.463	20	30		CCEDRM
C#CCOc1cccc(NC(=O)c2cnc([O-])n(C)c2=O)c1	ZINC000751465406	582082324	/nfs/dbraw/zinc/08/23/24/582082324.db2.gz	HSJCGQNHFBGZCG-UHFFFAOYSA-N	-1	0	299.286	0.750	20	30		CCEDRM
C=CCCS(=O)(=O)N[C@@H](CC1CCOCC1)C(=O)[O-]	ZINC000776602979	582084537	/nfs/dbraw/zinc/08/45/37/582084537.db2.gz	UTHOULMGQADINS-NSHDSACASA-N	-1	0	291.369	0.752	20	30		CCEDRM
CC[C@@H](C)C[C@H](NS(=O)(=O)N(C)CCC#N)C(=O)[O-]	ZINC000776615446	582084908	/nfs/dbraw/zinc/08/49/08/582084908.db2.gz	LXJIYAINHXDLCW-ZJUUUORDSA-N	-1	0	291.373	0.556	20	30		CCEDRM
Cc1ncc(CO)c(/C=N\C[C@H](C)C(=O)[O-])c1O	ZINC000738885711	582085637	/nfs/dbraw/zinc/08/56/37/582085637.db2.gz	TVVYWYNMBQIKID-HAGRAMSUSA-N	-1	0	252.270	0.728	20	30		CCEDRM
C[C@@H](OC(=O)[C@H]1CCN(C(=O)[O-])C1)C(=O)N(C)CCC#N	ZINC000739045484	582099268	/nfs/dbraw/zinc/09/92/68/582099268.db2.gz	KWQQXIFEFULKTQ-ZJUUUORDSA-N	-1	0	297.311	0.290	20	30		CCEDRM
N#CCN(CC(=O)[O-])C(=O)c1c[nH]c2ncccc12	ZINC000739078279	582101474	/nfs/dbraw/zinc/10/14/74/582101474.db2.gz	CUYFXXJMOWMPOI-UHFFFAOYSA-N	-1	0	258.237	0.613	20	30		CCEDRM
N#CCN(CC(=O)[O-])S(=O)(=O)c1ccc(C#N)cc1	ZINC000739085943	582101894	/nfs/dbraw/zinc/10/18/94/582101894.db2.gz	LOCQHMPIUZWTRS-UHFFFAOYSA-N	-1	0	279.277	0.157	20	30		CCEDRM
N#CCN(CC(=O)[O-])C(=O)c1ccc(O)cc1O	ZINC000739088217	582102130	/nfs/dbraw/zinc/10/21/30/582102130.db2.gz	SFFIREFMQDELSZ-UHFFFAOYSA-N	-1	0	250.210	0.148	20	30		CCEDRM
N#CCOc1ccc(Cn2nc(C(=O)[O-])ccc2=O)cc1	ZINC000739088601	582102136	/nfs/dbraw/zinc/10/21/36/582102136.db2.gz	UMLQKIMBYISRKZ-UHFFFAOYSA-N	-1	0	285.259	0.892	20	30		CCEDRM
N#CCN(CC(=O)[O-])C(=O)c1ccc2c(c1)OCCO2	ZINC000739088622	582102193	/nfs/dbraw/zinc/10/21/93/582102193.db2.gz	XOGFXWMTEIEGRR-UHFFFAOYSA-N	-1	0	276.248	0.508	20	30		CCEDRM
N#C[C@H]1CN(C(=O)[O-])CCN1C(=O)c1cscn1	ZINC000831091825	603604123	/nfs/dbraw/zinc/60/41/23/603604123.db2.gz	LTQANCJWOIMKKK-ZETCQYMHSA-N	-1	0	266.282	0.471	20	30		CCEDRM
C[C@H](C#N)CN(C)CN1CC2(CN(C(=O)[O-])C2)CC1=O	ZINC000823646705	603584753	/nfs/dbraw/zinc/58/47/53/603584753.db2.gz	GAOBADVUOLUCAD-SNVBAGLBSA-N	-1	0	280.328	0.248	20	30		CCEDRM
CCOC(=O)[C@@H](C)CNC(=O)[C@@](C)(C#N)CC(=O)[O-]	ZINC000820360665	615261791	/nfs/dbraw/zinc/26/17/91/615261791.db2.gz	AQAANEZDMQMKJK-QPUJVOFHSA-N	-1	0	270.285	0.306	20	30		CCEDRM
CCS(=O)(CC)=NS(=O)(=O)[N-]CC(C)(C)C#N	ZINC000867080278	615356852	/nfs/dbraw/zinc/35/68/52/615356852.db2.gz	IPAZADZLSCHVPV-UHFFFAOYSA-N	-1	0	281.403	0.878	20	30		CCEDRM
C[C@@H](NC(=O)Nc1ccn(CCC#N)n1)C(=O)[O-]	ZINC000818039638	597206924	/nfs/dbraw/zinc/20/69/24/597206924.db2.gz	JRGWOAXVICLPPP-SSDOTTSWSA-N	-1	0	251.246	0.391	20	30		CCEDRM
N#Cc1cc(S(N)(=O)=O)ccc1NCCCC(=O)[O-]	ZINC000819096042	597312365	/nfs/dbraw/zinc/31/23/65/597312365.db2.gz	UMQHBISOMVJKJO-UHFFFAOYSA-N	-1	0	283.309	0.482	20	30		CCEDRM
C#CCCCS(=O)(=O)[N-]c1cncc(OC)n1	ZINC000844836562	612985387	/nfs/dbraw/zinc/98/53/87/612985387.db2.gz	PYFZYIZMRMABOE-UHFFFAOYSA-N	-1	0	255.299	0.640	20	30		CCEDRM
C#CCCCS(=O)(=O)[N-]c1nc2ccccn2n1	ZINC000820802434	612985548	/nfs/dbraw/zinc/98/55/48/612985548.db2.gz	VKKOBHDSPLQBGK-UHFFFAOYSA-N	-1	0	264.310	0.884	20	30		CCEDRM
C[C@@H](C(=O)[O-])N(C)CC(=O)NC1(C#N)CCCCC1	ZINC000817772266	597473692	/nfs/dbraw/zinc/47/36/92/597473692.db2.gz	PGKJUBMZPNDIJT-JTQLQIEISA-N	-1	0	267.329	0.734	20	30		CCEDRM
C[C@@H]1COCCCN1C(=O)[C@@](C)(C#N)CC(=O)[O-]	ZINC000820251669	597603236	/nfs/dbraw/zinc/60/32/36/597603236.db2.gz	DBJDYAJWXGOSJZ-BXKDBHETSA-N	-1	0	254.286	0.628	20	30		CCEDRM
C[C@](C#N)(CC(=O)[O-])C(=O)NCCOc1ncccc1F	ZINC000819841584	597603379	/nfs/dbraw/zinc/60/33/79/597603379.db2.gz	BJYMERHPZSDYGV-CYBMUJFWSA-N	-1	0	295.270	0.720	20	30		CCEDRM
Cc1c(CNC(=O)[C@@](C)(C#N)CC(=O)[O-])cnn1C	ZINC000820945368	597605091	/nfs/dbraw/zinc/60/50/91/597605091.db2.gz	WQNOCNFASWBMFM-GFCCVEGCSA-N	-1	0	264.285	0.349	20	30		CCEDRM
C[C@@H]1C[C@@H](NC(=O)[C@@](C)(C#N)CC(=O)[O-])CCO1	ZINC000820228888	597607603	/nfs/dbraw/zinc/60/76/03/597607603.db2.gz	WPYKSBXMPCWFFS-VDDIYKPWSA-N	-1	0	254.286	0.675	20	30		CCEDRM
Cc1csc(=O)n1CCOC(=O)[C@](C)(C#N)CC(=O)[O-]	ZINC000821147128	597617706	/nfs/dbraw/zinc/61/77/06/597617706.db2.gz	XFYHAVLHRNTWIN-LBPRGKRZSA-N	-1	0	298.320	0.766	20	30		CCEDRM
Cc1nnc([C@@H](C)OC(=O)[C@@](C)(C#N)CC(=O)[O-])o1	ZINC000821216875	597617749	/nfs/dbraw/zinc/61/77/49/597617749.db2.gz	RIPPJPFZKPOHFK-KSBSHMNSSA-N	-1	0	267.241	0.987	20	30		CCEDRM
C[C@@H](OC(=O)[C@@](C)(C#N)CC(=O)[O-])C(=O)NC1CCCC1	ZINC000820162051	597620300	/nfs/dbraw/zinc/62/03/00/597620300.db2.gz	XLUHFBDWKPDKMG-YMTOWFKASA-N	-1	0	296.323	0.981	20	30		CCEDRM
C[C@@H](OC(=O)[C@](C)(C#N)CC(=O)[O-])C(=O)NC1CC1	ZINC000820160904	597625009	/nfs/dbraw/zinc/62/50/09/597625009.db2.gz	KNJOCPNUGTVMIG-KRTXAFLBSA-N	-1	0	268.269	0.201	20	30		CCEDRM
Cn1ncc2c1CCC[C@@H]2NC(=O)[C@](C)(C#N)CC(=O)[O-]	ZINC000821315346	597634092	/nfs/dbraw/zinc/63/40/92/597634092.db2.gz	PFBUHYPBRJFYIH-HZMBPMFUSA-N	-1	0	290.323	0.918	20	30		CCEDRM
C[C@@H](CNC(=O)[C@@](C)(C#N)CC(=O)[O-])Cn1cccn1	ZINC000820095911	597635117	/nfs/dbraw/zinc/63/51/17/597635117.db2.gz	WKMBFAPWZNKYHD-GXFFZTMASA-N	-1	0	278.312	0.640	20	30		CCEDRM
C[C@](C#N)(CC(=O)[O-])C(=O)Nc1ccncc1F	ZINC000819857564	597658847	/nfs/dbraw/zinc/65/88/47/597658847.db2.gz	YFYICTNYLSPOHH-LLVKDONJSA-N	-1	0	251.217	0.586	20	30		CCEDRM
C#CCOCCNC(=O)NCc1ccc(C(=O)[O-])cc1	ZINC000819705825	612987564	/nfs/dbraw/zinc/98/75/64/612987564.db2.gz	HYOVNFPXLMSQBT-UHFFFAOYSA-N	-1	0	276.292	0.834	20	30		CCEDRM
C=CCNC(=O)CNC(=O)N1CCC[C@@H](CC(=O)[O-])C1	ZINC000393839020	598195938	/nfs/dbraw/zinc/19/59/38/598195938.db2.gz	UEQDRLBJSNKWNU-JTQLQIEISA-N	-1	0	283.328	0.185	20	30		CCEDRM
Cn1ncc2c1ncn(N=Cc1cccc(C(=O)[O-])c1)c2=O	ZINC000814794366	598201411	/nfs/dbraw/zinc/20/14/11/598201411.db2.gz	CTGOQNAPAPDFPF-UHFFFAOYSA-N	-1	0	297.274	0.710	20	30		CCEDRM
C#CCO[C@H](C)C(=O)N1C[C@@H]2CCC[C@]2(C(=O)[O-])C1	ZINC000910420281	613000727	/nfs/dbraw/zinc/00/07/27/613000727.db2.gz	WWIKRCKOWNDJRN-SUNKGSAMSA-N	-1	0	265.309	0.738	20	30		CCEDRM
N#CCCCCNS(=O)(=O)c1ccc(C(=O)[O-])o1	ZINC000079865639	599778301	/nfs/dbraw/zinc/77/83/01/599778301.db2.gz	SDEMDJVCJUWWCP-UHFFFAOYSA-N	-1	0	272.282	0.950	20	30		CCEDRM
N#CCN(CC(=O)[O-])C(=O)COCCOc1ccccc1	ZINC000739079512	600406938	/nfs/dbraw/zinc/40/69/38/600406938.db2.gz	YFHNZOGUSZJFON-UHFFFAOYSA-N	-1	0	292.291	0.519	20	30		CCEDRM
C#CCSCCNC(=O)NCCSCC(=O)[O-]	ZINC000389464745	600600600	/nfs/dbraw/zinc/60/06/00/600600600.db2.gz	HSROJWDRZVCNDC-UHFFFAOYSA-N	-1	0	276.383	0.470	20	30		CCEDRM
CCN(CCC#N)S(=O)(=O)N1CCC(C(=O)[O-])CC1	ZINC000037838869	600650164	/nfs/dbraw/zinc/65/01/64/600650164.db2.gz	CMVXHFZZSUOPTL-UHFFFAOYSA-N	-1	0	289.357	0.263	20	30		CCEDRM
C[C@@H](C#N)CNS(=O)(=O)Cc1ccc(C(=O)[O-])cc1	ZINC000054156515	600989455	/nfs/dbraw/zinc/98/94/55/600989455.db2.gz	FTVXDONIHKDNJO-VIFPVBQESA-N	-1	0	282.321	0.964	20	30		CCEDRM
N#CCN(CCC(=O)N1CCc2ccccc21)CC(=O)[O-]	ZINC000833066540	601003426	/nfs/dbraw/zinc/00/34/26/601003426.db2.gz	APYDIIRWAIAXSE-UHFFFAOYSA-N	-1	0	287.319	0.876	20	30		CCEDRM
N#CCN(CC(=O)[O-])CC(=O)N(C1CC1)C1CCCC1	ZINC000833065512	601004913	/nfs/dbraw/zinc/00/49/13/601004913.db2.gz	BFEGLVXJYZYQOY-UHFFFAOYSA-N	-1	0	279.340	0.830	20	30		CCEDRM
N#Cc1ccc([C@H](OC(=O)c2nonc2N)C(=O)[O-])cc1	ZINC000833071406	601122139	/nfs/dbraw/zinc/12/21/39/601122139.db2.gz	FJLPKJHTSQJLGN-VIFPVBQESA-N	-1	0	288.219	0.506	20	30		CCEDRM
C[C@@H]1CCCN(C(=O)CN(CC#N)CC(=O)[O-])C1	ZINC000828258853	601242085	/nfs/dbraw/zinc/24/20/85/601242085.db2.gz	UOSXTJFHJMQFKY-SNVBAGLBSA-N	-1	0	253.302	0.155	20	30		CCEDRM
N#CCN(CC(=O)[O-])C[C@H](O)COc1ccccc1Cl	ZINC000833067586	601242446	/nfs/dbraw/zinc/24/24/46/601242446.db2.gz	WCBOHONAYSWQGH-JTQLQIEISA-N	-1	0	298.726	0.990	20	30		CCEDRM
N#Cc1c(Cl)nsc1N1CCN(CC(=O)[O-])CC1	ZINC000833068945	601247867	/nfs/dbraw/zinc/24/78/67/601247867.db2.gz	ICTYDKRZQQZJIQ-UHFFFAOYSA-N	-1	0	286.744	0.875	20	30		CCEDRM
C#CCSCC(=O)N[C@H](C)c1nc(C(=O)OCC)n[nH]1	ZINC000898660256	613013809	/nfs/dbraw/zinc/01/38/09/613013809.db2.gz	RFNPPEAGZINZJY-MRVPVSSYSA-N	-1	0	296.352	0.525	20	30		CCEDRM
Cc1nnc(N2CCO[C@H](CC(=O)[O-])C2)c(C#N)c1C	ZINC000124854300	601382349	/nfs/dbraw/zinc/38/23/49/601382349.db2.gz	MEFIBHVFXYJJMP-SNVBAGLBSA-N	-1	0	276.296	0.645	20	30		CCEDRM
Cn1ccnc(NN=Cc2cc(C(=O)[O-])ccc2O)c1=O	ZINC000833059676	601396665	/nfs/dbraw/zinc/39/66/65/601396665.db2.gz	YZDLIQNYYCYXHG-UHFFFAOYSA-N	-1	0	288.263	0.630	20	30		CCEDRM
Cn1cc(S(=O)(=O)N[C@H]2CCC[C@H]2C#N)cc1C(=O)[O-]	ZINC000061890069	601477324	/nfs/dbraw/zinc/47/73/24/601477324.db2.gz	RIVUKJHGAQEKFO-WPRPVWTQSA-N	-1	0	297.336	0.694	20	30		CCEDRM
Cn1cc(C#N)cc1C(=O)N[C@H](CC(=O)[O-])C1CC1	ZINC000833041116	601526114	/nfs/dbraw/zinc/52/61/14/601526114.db2.gz	XVTBVOVHDSHIJB-SNVBAGLBSA-N	-1	0	261.281	0.880	20	30		CCEDRM
C[C@H]1CN(S(=O)(=O)c2ccc(C#N)nc2)C[C@H]1C(=O)[O-]	ZINC000253105012	601589076	/nfs/dbraw/zinc/58/90/76/601589076.db2.gz	SRGYGWCEDOELSI-GZMMTYOYSA-N	-1	0	295.320	0.294	20	30		CCEDRM
C[C@H](C#N)CNC(=O)Nc1ccn(CC(=O)[O-])n1	ZINC000825966730	601757271	/nfs/dbraw/zinc/75/72/71/601757271.db2.gz	MAASSTFLGOEHOP-SSDOTTSWSA-N	-1	0	251.246	0.249	20	30		CCEDRM
CS(=O)(=O)[N-]c1ccc(C(=O)OCCCC#N)cn1	ZINC000859922498	617178344	/nfs/dbraw/zinc/17/83/44/617178344.db2.gz	IUHDKYRDXFJJEK-UHFFFAOYSA-N	-1	0	283.309	0.914	20	30		CCEDRM
COc1coc(CN(CC#N)CC(=O)[O-])cc1=O	ZINC000832642929	602205176	/nfs/dbraw/zinc/20/51/76/602205176.db2.gz	KTPXCPKCXVZOKH-UHFFFAOYSA-N	-1	0	252.226	0.059	20	30		CCEDRM
COc1cc(C=Nn2c(=O)[n-][nH]c2=O)ccc1[N+](=O)[O-]	ZINC000814232125	617179552	/nfs/dbraw/zinc/17/95/52/617179552.db2.gz	WFSCUAOFOQXTGK-UHFFFAOYSA-N	-1	0	279.212	0.488	20	30		CCEDRM
C#CCNC(=O)[C@H](C)OC(=O)Cc1cccc(C(=O)[O-])c1	ZINC000833365769	612950905	/nfs/dbraw/zinc/95/09/05/612950905.db2.gz	RBDYRDOXICVBPF-JTQLQIEISA-N	-1	0	289.287	0.608	20	30		CCEDRM
N#Cc1ccc(CNC(=O)NC2CN(C(=O)[O-])C2)cc1	ZINC000831126553	603619843	/nfs/dbraw/zinc/61/98/43/603619843.db2.gz	JUHZFWDWMJYOHR-UHFFFAOYSA-N	-1	0	274.280	0.720	20	30		CCEDRM
N#CCN1CCN(C(=O)[C@@H]2CCC[C@@H](NC(=O)[O-])C2)CC1	ZINC000831102824	603626641	/nfs/dbraw/zinc/62/66/41/603626641.db2.gz	VNNNDAHJENVSCC-VXGBXAGGSA-N	-1	0	294.355	0.481	20	30		CCEDRM
N#CCN1C(=O)N[C@@]2(CCCC[C@@H]2CNC(=O)[O-])C1=O	ZINC000831097214	603677116	/nfs/dbraw/zinc/67/71/16/603677116.db2.gz	FORMHIXRFROJBA-PRHODGIISA-N	-1	0	280.284	0.258	20	30		CCEDRM
C[C@@H](CC#N)N(C)C(=O)COC1CN(C(=O)[O-])C1	ZINC000824542731	603766077	/nfs/dbraw/zinc/76/60/77/603766077.db2.gz	DDNDZBHGSCRRSW-QMMMGPOBSA-N	-1	0	255.274	0.126	20	30		CCEDRM
C#CCNC(=O)[C@@H](C)ON=C(N)[C@@H](CC(C)C)NC(=O)[O-]	ZINC000823455479	603779553	/nfs/dbraw/zinc/77/95/53/603779553.db2.gz	CVLKTWNEZOLRGR-NXEZZACHSA-N	-1	0	298.343	0.305	20	30		CCEDRM
N#C[C@@H]1CN(C(=O)CC2CN(C(=O)[O-])C2)CCN1C1CC1	ZINC000831076266	603786445	/nfs/dbraw/zinc/78/64/45/603786445.db2.gz	IVOSQBJTIWPJDP-GFCCVEGCSA-N	-1	0	292.339	0.185	20	30		CCEDRM
O=C([O-])N1CCC(C=NN[C@H]2CCS(=O)(=O)C2)CC1	ZINC000831868683	603856357	/nfs/dbraw/zinc/85/63/57/603856357.db2.gz	BFWCKJNBTZRMCA-JTQLQIEISA-N	-1	0	289.357	0.139	20	30		CCEDRM
N#C[C@@H]1CN(C(=O)[O-])CCN1C(=O)c1n[nH]c2ccccc21	ZINC000831092292	604069680	/nfs/dbraw/zinc/06/96/80/604069680.db2.gz	RYGOSABUEIXKFE-SECBINFHSA-N	-1	0	299.290	0.891	20	30		CCEDRM
N#C[C@@H]1CN(C(=O)[O-])CCN1C(=O)[C@H]1CCCS1	ZINC000831076169	604080251	/nfs/dbraw/zinc/08/02/51/604080251.db2.gz	HFSXKSCFYPFAPR-RKDXNWHRSA-N	-1	0	269.326	0.596	20	30		CCEDRM
N#Cc1ccc(C(=O)N2CCN(C(=O)[O-])C[C@H]2C#N)cn1	ZINC000831123009	604080718	/nfs/dbraw/zinc/08/07/18/604080718.db2.gz	YUVAKIVWDXIEJW-LLVKDONJSA-N	-1	0	285.263	0.281	20	30		CCEDRM
N#Cc1ncn(CC(=O)NC[C@@H](C(=O)[O-])c2ccccc2)n1	ZINC000833078075	604328222	/nfs/dbraw/zinc/32/82/22/604328222.db2.gz	BLKCJPJPPCFFHS-LLVKDONJSA-N	-1	0	299.290	0.134	20	30		CCEDRM
N#Cc1ncn(CC(=O)Nc2sccc2C(=O)[O-])n1	ZINC000833078432	604387550	/nfs/dbraw/zinc/38/75/50/604387550.db2.gz	JZLFJDLJBYLVKB-UHFFFAOYSA-N	-1	0	277.265	0.548	20	30		CCEDRM
Cc1ccc(C#N)cc1S(=O)(=O)NC1CN(C(=O)[O-])C1	ZINC000740104591	604412680	/nfs/dbraw/zinc/41/26/80/604412680.db2.gz	AFRYRIHZBUYLMJ-UHFFFAOYSA-N	-1	0	295.320	0.507	20	30		CCEDRM
C[C@@H](OC(=O)C(C)(C)C#N)c1cn(CC(=O)[O-])nn1	ZINC000827803897	604683430	/nfs/dbraw/zinc/68/34/30/604683430.db2.gz	QAICVNMLDUQTJM-SSDOTTSWSA-N	-1	0	266.257	0.517	20	30		CCEDRM
N#Cc1ccc(CNC(=O)[C@H]2CN(C(=O)[O-])CCO2)cc1	ZINC000831126693	604694381	/nfs/dbraw/zinc/69/43/81/604694381.db2.gz	PCDHHYMPPGGQSD-GFCCVEGCSA-N	-1	0	289.291	0.553	20	30		CCEDRM
C#CC[C@@H](NC(=O)[C@@H](C)Oc1cccnc1)C(=O)[O-]	ZINC000910050659	613040427	/nfs/dbraw/zinc/04/04/27/613040427.db2.gz	MXOXAXQVYJFXEE-MWLCHTKSSA-N	-1	0	262.265	0.442	20	30		CCEDRM
Cc1c(C#N)cccc1NC(=O)C(=O)NCCNC(=O)[O-]	ZINC000829839324	605206553	/nfs/dbraw/zinc/20/65/53/605206553.db2.gz	HBCQRQGGBWISCE-UHFFFAOYSA-N	-1	0	290.279	0.189	20	30		CCEDRM
O=C([O-])N1CC(=NNC(=S)Nc2ccccn2)C1	ZINC000831837234	605241939	/nfs/dbraw/zinc/24/19/39/605241939.db2.gz	DTVNKNNLOTWHBS-UHFFFAOYSA-N	-1	0	265.298	0.718	20	30		CCEDRM
C[C@@H](C#N)COC(=O)CN(C[C@@H]1CCCO1)C(=O)[O-]	ZINC000823648891	605285421	/nfs/dbraw/zinc/28/54/21/605285421.db2.gz	YZQCUWSIOIFQJK-UWVGGRQHSA-N	-1	0	270.285	0.848	20	30		CCEDRM
N#CCCCNC(=O)NC[C@H](NC(=O)[O-])C1CC1	ZINC000833969981	605407063	/nfs/dbraw/zinc/40/70/63/605407063.db2.gz	ZIULNCXUCZPRMY-VIFPVBQESA-N	-1	0	254.290	0.636	20	30		CCEDRM
C[C@@H](NC(=O)[O-])[C@H]1CCN(C(=O)NCCCC#N)C1	ZINC000833814238	605418192	/nfs/dbraw/zinc/41/81/92/605418192.db2.gz	DIDIBPWNYMBCNL-ZJUUUORDSA-N	-1	0	268.317	0.978	20	30		CCEDRM
C[C@H](NC(=O)[O-])[C@@H]1CCN(C(=O)NCCCC#N)C1	ZINC000833814237	605418388	/nfs/dbraw/zinc/41/83/88/605418388.db2.gz	DIDIBPWNYMBCNL-VHSXEESVSA-N	-1	0	268.317	0.978	20	30		CCEDRM
C#CCCNC(=O)CO[C@H]1CCCN(C(=O)[O-])C1	ZINC000823444306	613046758	/nfs/dbraw/zinc/04/67/58/613046758.db2.gz	FWTACRFAPZXIHM-JTQLQIEISA-N	-1	0	254.286	0.285	20	30		CCEDRM
O=C([O-])N1CCc2cccc(C=NN3C(=O)CNC3=O)c21	ZINC000834290938	605700052	/nfs/dbraw/zinc/70/00/52/605700052.db2.gz	ZZESSMQZLVZXME-UHFFFAOYSA-N	-1	0	288.263	0.613	20	30		CCEDRM
NC(=O)CON=Cc1cccc2c1N(C(=O)[O-])CCC2	ZINC000833984330	605754709	/nfs/dbraw/zinc/75/47/09/605754709.db2.gz	DAZAXAZRXQLHGR-UHFFFAOYSA-N	-1	0	277.280	0.953	20	30		CCEDRM
C[C@]1(C(=O)[O-])CCN(C(=O)[C@H](O)c2ccc(C#N)cc2)C1	ZINC000833554354	605757899	/nfs/dbraw/zinc/75/78/99/605757899.db2.gz	WHUDBUPAYVQKMF-DOMZBBRYSA-N	-1	0	288.303	0.915	20	30		CCEDRM
N#CC1(COC(=O)[C@@H]2CN(C(=O)[O-])CCO2)CCOCC1	ZINC000833965009	605782294	/nfs/dbraw/zinc/78/22/94/605782294.db2.gz	XHKUEUXDKIPWIV-JTQLQIEISA-N	-1	0	298.295	0.229	20	30		CCEDRM
N#C[C@@H]1CN(C(=O)CCCCNC(=O)[O-])CCO1	ZINC000833967560	605894549	/nfs/dbraw/zinc/89/45/49/605894549.db2.gz	RKILNYQKFLTGEG-SECBINFHSA-N	-1	0	255.274	0.175	20	30		CCEDRM
N#C[C@H]1CN(C(=O)[O-])CCN1C(=O)[C@H](O)c1ccccc1	ZINC000831076692	605966094	/nfs/dbraw/zinc/96/60/94/605966094.db2.gz	RBFFGOPNMNEHML-NWDGAFQWSA-N	-1	0	289.291	0.434	20	30		CCEDRM
N#CC1(COC(=O)[C@@]2(F)CCN(C(=O)[O-])C2)CC1	ZINC000833964479	606001318	/nfs/dbraw/zinc/00/13/18/606001318.db2.gz	ICSFHIGLINIHSI-LLVKDONJSA-N	-1	0	256.233	0.925	20	30		CCEDRM
N#CCn1cc(NC(=O)c2cnc(NC(=O)[O-])cn2)cn1	ZINC000833970473	606055553	/nfs/dbraw/zinc/05/55/53/606055553.db2.gz	UXMVPNCCNDRSSP-UHFFFAOYSA-N	-1	0	287.239	0.539	20	30		CCEDRM
N#C[C@@H]1CCC[C@H]1NC(=O)c1cnc(NC(=O)[O-])cn1	ZINC000833963950	606058719	/nfs/dbraw/zinc/05/87/19/606058719.db2.gz	XJFPPQZKVVKOEU-JGVFFNPUSA-N	-1	0	275.268	0.989	20	30		CCEDRM
N#CC1(NC(=O)[C@@H]2CCN(C(=O)[O-])C2)CCSCC1	ZINC000833964127	606072748	/nfs/dbraw/zinc/07/27/48/606072748.db2.gz	ZUSHESHIJFYSHN-SECBINFHSA-N	-1	0	283.353	0.892	20	30		CCEDRM
C#CCCS(=O)(=O)[N-]C(=O)c1cc(C)[nH]c1C	ZINC000810781970	613053537	/nfs/dbraw/zinc/05/35/37/613053537.db2.gz	JOYIQBQWHYYWQK-UHFFFAOYSA-N	-1	0	254.311	0.714	20	30		CCEDRM
C#CCCS(=O)(=O)[N-]C(=O)c1ccnc(C)c1	ZINC000810780529	613053854	/nfs/dbraw/zinc/05/38/54/613053854.db2.gz	GVNHIYPMKBXMNJ-UHFFFAOYSA-N	-1	0	252.295	0.473	20	30		CCEDRM
N#Cc1nc(NC(=O)[C@H]2CC23CCC3)[n-]c1-c1nn[nH]n1	ZINC000822815697	607143112	/nfs/dbraw/zinc/14/31/12/607143112.db2.gz	XPMMAIRYWVKRDU-ZCFIWIBFSA-N	-1	0	284.283	0.590	20	30		CCEDRM
C#CC[C@H]([N-]S(=O)(=O)Cc1ccccc1F)C(=O)OC	ZINC000841540265	613071164	/nfs/dbraw/zinc/07/11/64/613071164.db2.gz	KYHHKPWRLJBUDI-LBPRGKRZSA-N	-1	0	299.323	0.810	20	30		CCEDRM
C#CCN(CC#CC)C(=O)C[C@@H]1CN(C(=O)[O-])CCO1	ZINC000823451737	613099477	/nfs/dbraw/zinc/09/94/77/613099477.db2.gz	ZVCSUGGCKTUHEK-GFCCVEGCSA-N	-1	0	278.308	0.240	20	30		CCEDRM
C=C(Cl)C[C@H](NS(=O)(=O)N1CC[C@@H](C)C1)C(=O)[O-]	ZINC000863421137	613390892	/nfs/dbraw/zinc/39/08/92/613390892.db2.gz	VKAHRDBNKVTTCK-APPZFPTMSA-N	-1	0	296.776	0.758	20	30		CCEDRM
CS/C=C\C(=O)N1CCN(C(=O)[O-])C[C@@H]1C#N	ZINC000829716185	617200689	/nfs/dbraw/zinc/20/06/89/617200689.db2.gz	DVRUNTNQQSBNFW-YAPUSRSVSA-N	-1	0	255.299	0.577	20	30		CCEDRM
CC(C)CCS(=O)(=O)[N-]C(=O)CSCC#N	ZINC000111984250	614057764	/nfs/dbraw/zinc/05/77/64/614057764.db2.gz	XYMHTDMOTJZLOM-UHFFFAOYSA-N	-1	0	264.372	0.735	20	30		CCEDRM
CC(C)S(=O)(=O)CC(=O)[N-]Oc1cccc(C#N)c1	ZINC000870692974	614060166	/nfs/dbraw/zinc/06/01/66/614060166.db2.gz	UDTSHZZZOUFUFY-UHFFFAOYSA-N	-1	0	282.321	0.791	20	30		CCEDRM
CC(C)[C@@H](F)C(=O)[N-]S(=O)(=O)c1cncc(C#N)c1	ZINC000813985376	614115796	/nfs/dbraw/zinc/11/57/96/614115796.db2.gz	XWRJAJPIIHWELG-SNVBAGLBSA-N	-1	0	285.300	0.752	20	30		CCEDRM
COc1ccc(C=Nn2c(=O)[n-][nH]c2=O)cc1C#N	ZINC000814232452	617238551	/nfs/dbraw/zinc/23/85/51/617238551.db2.gz	XEMLPXGJPIJOPY-UHFFFAOYSA-N	-1	0	259.225	0.452	20	30		CCEDRM
COc1ccc(O)c(C=Nn2c(=O)c(C)n[n-]c2=S)c1	ZINC000916303773	617272265	/nfs/dbraw/zinc/27/22/65/617272265.db2.gz	REACUFDCGLCLDR-UHFFFAOYSA-N	-1	0	292.320	0.832	20	30		CCEDRM
CSc1cccnc1C(=O)N[C@@H]1CCCN(O)C1=O	ZINC000848130023	617281391	/nfs/dbraw/zinc/28/13/91/617281391.db2.gz	FKUGCSKNKSSOAH-MRVPVSSYSA-N	-1	0	281.337	0.914	20	30		CCEDRM
C[C@@H](C#N)[N-]S(=O)(=O)N=[S@](C)(=O)c1ccccc1	ZINC000906062183	617296934	/nfs/dbraw/zinc/29/69/34/617296934.db2.gz	WZBSVANJUCMKRE-HUTHGQBESA-N	-1	0	287.366	0.890	20	30		CCEDRM
C#CCNC(=O)[C@@H](C)OC(=O)CC(C)(C)CC(=O)[O-]	ZINC000833365488	612948355	/nfs/dbraw/zinc/94/83/55/612948355.db2.gz	KRGKDUPGGYNLBU-SECBINFHSA-N	-1	0	269.297	0.559	20	30		CCEDRM
C#CCCCCNC(=O)N(C)[C@@H](COCC)C(=O)[O-]	ZINC000797723111	612977434	/nfs/dbraw/zinc/97/74/34/612977434.db2.gz	AKBACIMZFNNIRD-NSHDSACASA-N	-1	0	270.329	0.921	20	30		CCEDRM
C#CCOCCC(=O)N1CCCC[C@H]1CC(=O)[O-]	ZINC000833364546	612977954	/nfs/dbraw/zinc/97/79/54/612977954.db2.gz	UOMNENGRDCKTGW-NSHDSACASA-N	-1	0	253.298	0.882	20	30		CCEDRM
C#CCCCCNC(=O)[C@@H]1COCCN1C(=O)[O-]	ZINC000823440882	612978079	/nfs/dbraw/zinc/97/80/79/612978079.db2.gz	LQGKWPIYROWLMN-JTQLQIEISA-N	-1	0	254.286	0.285	20	30		CCEDRM
C#CCCCCNC(=O)c1c[nH]c(-c2nn[nH]n2)c1	ZINC000823841035	612978297	/nfs/dbraw/zinc/97/82/97/612978297.db2.gz	IAHJPXAEYVQZSN-UHFFFAOYSA-N	-1	0	258.285	0.728	20	30		CCEDRM
C#CCOCCC(=O)[N-]S(=O)(=O)[C@H]1C[C@@H]2CC[C@H]1C2	ZINC000835744680	612980178	/nfs/dbraw/zinc/98/01/78/612980178.db2.gz	VALPTPSSUDOACJ-WOPDTQHZSA-N	-1	0	285.365	0.661	20	30		CCEDRM
C#CCCCNC(=O)N[C@@](C)(Cn1cccn1)C(=O)[O-]	ZINC000900292153	612982219	/nfs/dbraw/zinc/98/22/19/612982219.db2.gz	QFHSSLHOLNLVLH-ZDUSSCGKSA-N	-1	0	278.312	0.439	20	30		CCEDRM
C#CCOCCN1c2ccsc2C([O-])=CS1(=O)=O	ZINC000902801200	612984888	/nfs/dbraw/zinc/98/48/88/612984888.db2.gz	GIYMTWQWPGPDFW-UHFFFAOYSA-N	-1	0	285.346	0.730	20	30		CCEDRM
C#CCCCS(=O)(=O)[N-]c1cc(C(=O)OC)no1	ZINC000903141083	612985442	/nfs/dbraw/zinc/98/54/42/612985442.db2.gz	LIMDBRBDRWSOGP-UHFFFAOYSA-N	-1	0	272.282	0.616	20	30		CCEDRM
C#CCO[N-]C(=O)CSc1nc(C)cc(C)n1	ZINC000812783381	612992221	/nfs/dbraw/zinc/99/22/21/612992221.db2.gz	MQERKXLGWMOMMK-UHFFFAOYSA-N	-1	0	251.311	0.867	20	30		CCEDRM
C#CCO[N-]C(=O)[C@@H](C)N1Cc2ccccc2C1=O	ZINC000912450259	612992293	/nfs/dbraw/zinc/99/22/93/612992293.db2.gz	KWKHPTHEUIKZBI-SNVBAGLBSA-N	-1	0	258.277	0.712	20	30		CCEDRM
C#CCO[N-]C(=O)C[C@](O)(c1nccn1C)C(F)(F)F	ZINC000812782558	612992423	/nfs/dbraw/zinc/99/24/23/612992423.db2.gz	XYCQOVBDISKHHN-JTQLQIEISA-N	-1	0	291.229	0.241	20	30		CCEDRM
C#CCO[N-]C(=O)[C@@H]1CCCN1C(=O)c1ccccc1	ZINC000812784995	612992596	/nfs/dbraw/zinc/99/25/96/612992596.db2.gz	BSZXOWOLPITLJD-ZDUSSCGKSA-N	-1	0	272.304	0.972	20	30		CCEDRM
C#CCO[N-]C(=O)[C@@]1(NC(=O)OC(C)(C)C)CC1(F)F	ZINC000869253453	612992688	/nfs/dbraw/zinc/99/26/88/612992688.db2.gz	FPQHTJXGAWAUGS-NSHDSACASA-N	-1	0	290.266	0.970	20	30		CCEDRM
C#CCO[N-]C(=O)[C@@H]1CCS(=O)(=O)c2ccccc21	ZINC000812781604	612992719	/nfs/dbraw/zinc/99/27/19/612992719.db2.gz	BQHYNFHCCXAZMU-LLVKDONJSA-N	-1	0	279.317	0.629	20	30		CCEDRM
C#CCO[C@@H](C)C(=O)NC1(C(=O)[O-])CCCCC1	ZINC000908599460	612995931	/nfs/dbraw/zinc/99/59/31/612995931.db2.gz	QWBLOQVUQXRZTH-JTQLQIEISA-N	-1	0	253.298	0.928	20	30		CCEDRM
C#CCO[C@@H](C)C(=O)N[C@H](Cc1ccc(F)cc1)C(=O)[O-]	ZINC000910907456	612997249	/nfs/dbraw/zinc/99/72/49/612997249.db2.gz	PCQACOGEMMTMDL-GXFFZTMASA-N	-1	0	293.294	0.976	20	30		CCEDRM
C#CCO[C@@H](C)C(=O)Nc1ncc(CC(=O)[O-])s1	ZINC000910669269	612997988	/nfs/dbraw/zinc/99/79/88/612997988.db2.gz	BCDXZXYORDFZIW-ZETCQYMHSA-N	-1	0	268.294	0.747	20	30		CCEDRM
C#CCO[C@H](C)C(=O)N1CCC[C@]1(COC)C(=O)[O-]	ZINC000909942300	612999555	/nfs/dbraw/zinc/99/95/55/612999555.db2.gz	FWKMQWAOAZQQPM-MFKMUULPSA-N	-1	0	269.297	0.117	20	30		CCEDRM
C#CCO[C@H](C)C(=O)NC1(C(=O)[O-])CCCCC1	ZINC000908599462	613000971	/nfs/dbraw/zinc/00/09/71/613000971.db2.gz	QWBLOQVUQXRZTH-SNVBAGLBSA-N	-1	0	253.298	0.928	20	30		CCEDRM
C#CCO[C@H](C)C(=O)Nc1cnn(C(C)(C)C(=O)[O-])c1	ZINC000909596049	613003598	/nfs/dbraw/zinc/00/35/98/613003598.db2.gz	GOQQHEOPXMJYGR-SECBINFHSA-N	-1	0	279.296	0.680	20	30		CCEDRM
C#CCOc1ccc(C(=O)NCC(=O)[N-]OCC)cc1	ZINC000846494800	613005178	/nfs/dbraw/zinc/00/51/78/613005178.db2.gz	KKGIBOWJVKWNSG-UHFFFAOYSA-N	-1	0	276.292	0.496	20	30		CCEDRM
C#CCCN1CCN(C(=O)C[C@H]2CCCN2C(=O)[O-])CC1	ZINC000823444474	613009416	/nfs/dbraw/zinc/00/94/16/613009416.db2.gz	JPKMEBVZYMKVFY-CYBMUJFWSA-N	-1	0	293.367	0.686	20	30		CCEDRM
C#CC[C@@H](NC(=O)CCn1cc(Cl)cn1)C(=O)[O-]	ZINC000910049018	613039785	/nfs/dbraw/zinc/03/97/85/613039785.db2.gz	RBPRAZIMBHELLC-SECBINFHSA-N	-1	0	269.688	0.519	20	30		CCEDRM
C#CC[C@@H](NC(=O)CCCC(=O)NC(C)C)C(=O)[O-]	ZINC000910054402	613039857	/nfs/dbraw/zinc/03/98/57/613039857.db2.gz	NBSMLKDJZSDIIG-SNVBAGLBSA-N	-1	0	268.313	0.274	20	30		CCEDRM
C#CC[C@@H](NC(=O)Cc1cccc(COC)c1)C(=O)[O-]	ZINC000910047088	613040232	/nfs/dbraw/zinc/04/02/32/613040232.db2.gz	YCSPTCGGCBXKOZ-CYBMUJFWSA-N	-1	0	275.304	0.968	20	30		CCEDRM
C#CC[C@@H](NC(=O)Cc1c(C)nn(CC)c1C)C(=O)[O-]	ZINC000910051949	613040362	/nfs/dbraw/zinc/04/03/62/613040362.db2.gz	JNUGZPHXOUAPFO-GFCCVEGCSA-N	-1	0	277.324	0.655	20	30		CCEDRM
C#CC[C@@H](NC(=O)[C@H]1CSCCS1)C(=O)[O-]	ZINC000910051988	613041416	/nfs/dbraw/zinc/04/14/16/613041416.db2.gz	KOVXIZZHZQGUBH-HTQZYQBOSA-N	-1	0	259.352	0.428	20	30		CCEDRM
C#CC[C@@H](NC(=O)c1ccn(C2CCOCC2)n1)C(=O)[O-]	ZINC000910048819	613042064	/nfs/dbraw/zinc/04/20/64/613042064.db2.gz	PFFOKTDSNBNSSC-GFCCVEGCSA-N	-1	0	291.307	0.441	20	30		CCEDRM
C#CCCNC(=O)C(=O)Nc1ccc(F)cc1C(=O)[O-]	ZINC000833365594	613046870	/nfs/dbraw/zinc/04/68/70/613046870.db2.gz	VKPNXHGHXCPUSJ-UHFFFAOYSA-N	-1	0	278.239	0.602	20	30		CCEDRM
C#CCCNC(=O)N1CCN(C(=O)[O-])[C@H](C)[C@@H]1C	ZINC000833786762	613047080	/nfs/dbraw/zinc/04/70/80/613047080.db2.gz	AAEVQIDGSYNQEQ-VHSXEESVSA-N	-1	0	253.302	0.792	20	30		CCEDRM
C#CCCS(=O)(=O)[N-]C(=O)[C@@H](Cc1ccccc1)OC	ZINC000835371001	613053035	/nfs/dbraw/zinc/05/30/35/613053035.db2.gz	CAHHOFZXUMAOQD-CYBMUJFWSA-N	-1	0	295.360	0.713	20	30		CCEDRM
C#CCCS(=O)(=O)[N-]C(=O)[C@@H]1CCC[C@@H]2C[C@@H]21	ZINC000850999779	613053208	/nfs/dbraw/zinc/05/32/08/613053208.db2.gz	IZEIHMWTXDPJFS-MXWKQRLJSA-N	-1	0	255.339	0.892	20	30		CCEDRM
C#CCCS(=O)(=O)[N-]C(=O)c1ncc2n1CCCC2	ZINC000870332140	613053948	/nfs/dbraw/zinc/05/39/48/613053948.db2.gz	SLHDYCVFCZARQW-UHFFFAOYSA-N	-1	0	281.337	0.302	20	30		CCEDRM
C#CC[C@H](CO)NC(=O)c1ccc([N+](=O)[O-])cc1[O-]	ZINC000816670754	613057673	/nfs/dbraw/zinc/05/76/73/613057673.db2.gz	DTYFFOALNRUVTL-MRVPVSSYSA-N	-1	0	264.237	0.414	20	30		CCEDRM
C#CCN(C(=O)C(=O)NC[C@H](C)C(=O)[O-])C1CCCCC1	ZINC000848608761	613065097	/nfs/dbraw/zinc/06/50/97/613065097.db2.gz	HDMBPZVUBJYTFL-NSHDSACASA-N	-1	0	294.351	0.618	20	30		CCEDRM
C#CC[C@H](NC(=O)CSCC(F)(F)F)C(=O)[O-]	ZINC000910054851	613067824	/nfs/dbraw/zinc/06/78/24/613067824.db2.gz	YRDUGEKDVGQYJK-LURJTMIESA-N	-1	0	269.244	0.875	20	30		CCEDRM
C#CC[C@H](NC(=O)c1cc2c([nH]c1=O)CCCC2)C(=O)[O-]	ZINC000910055073	613070099	/nfs/dbraw/zinc/07/00/99/613070099.db2.gz	XACFFPVGBYZCKN-LBPRGKRZSA-N	-1	0	288.303	0.872	20	30		CCEDRM
C#CC[C@H](NC(=O)c1cnn(C)c1C(F)(F)F)C(=O)[O-]	ZINC000910051122	613070631	/nfs/dbraw/zinc/07/06/31/613070631.db2.gz	DQOQRCRYMJBXDF-ZETCQYMHSA-N	-1	0	289.213	0.645	20	30		CCEDRM
C#CCn1ccc(CN(CC)C(=O)c2cc(=O)n(C)[n-]2)n1	ZINC000834709177	613078719	/nfs/dbraw/zinc/07/87/19/613078719.db2.gz	LAECTCPQXJKAEK-UHFFFAOYSA-N	-1	0	287.323	0.618	20	30		CCEDRM
C#C[C@@H](NC(=O)CC1(C(=O)[O-])CCOCC1)[C@@H]1CCCO1	ZINC000911581281	613091670	/nfs/dbraw/zinc/09/16/70/613091670.db2.gz	XFHOTLUVBWRWTQ-NEPJUHHUSA-N	-1	0	295.335	0.555	20	30		CCEDRM
C#C[C@@H](NC(=O)N[C@H]1C[C@H](C(=O)[O-])C1)[C@H]1CCCO1	ZINC000874399287	613097450	/nfs/dbraw/zinc/09/74/50/613097450.db2.gz	VESYVDRNJMZPRU-GWOFURMSSA-N	-1	0	266.297	0.330	20	30		CCEDRM
C#CCN(CC#CC)C(=O)N[C@@H](CNC(=O)[O-])C1CC1	ZINC000823450674	613100072	/nfs/dbraw/zinc/10/00/72/613100072.db2.gz	FXQBMWDPXULERM-LBPRGKRZSA-N	-1	0	277.324	0.701	20	30		CCEDRM
C#CCN(CC#CC)C(=O)N[C@@H](C)CCNC(=O)[O-]	ZINC000833787676	613100082	/nfs/dbraw/zinc/10/00/82/613100082.db2.gz	XNPIVYQZDJGJJC-NSHDSACASA-N	-1	0	265.313	0.701	20	30		CCEDRM
C#CCN(CC(=O)[O-])S(=O)(=O)c1cnn(C2CCC2)c1	ZINC000926488204	613103880	/nfs/dbraw/zinc/10/38/80/613103880.db2.gz	WPSBPFSPDMJMJO-UHFFFAOYSA-N	-1	0	297.336	0.317	20	30		CCEDRM
C#CCN(Cc1ccccc1)C(=O)N=c1nn[n-]n1CC	ZINC000888326976	613108790	/nfs/dbraw/zinc/10/87/90/613108790.db2.gz	NERXDXOKJHWQAJ-UHFFFAOYSA-N	-1	0	284.323	0.782	20	30		CCEDRM
C#C[C@H](C)NS(=O)(=O)c1cc(OC)ccc1O	ZINC000867199219	613118925	/nfs/dbraw/zinc/11/89/25/613118925.db2.gz	XFXGDLRWNZSJOO-QMMMGPOBSA-N	-1	0	255.295	0.701	20	30		CCEDRM
C#C[C@H](NC(=O)NC[C@H](C(=O)[O-])C(C)C)[C@H]1CCCO1	ZINC000848583290	613140914	/nfs/dbraw/zinc/14/09/14/613140914.db2.gz	WLURTWVYTQEQEB-SDDRHHMPSA-N	-1	0	282.340	0.823	20	30		CCEDRM
C#C[C@H]1CCCN(C(=O)c2c[nH]c3nc(=O)[n-]c(=O)c-3c2)C1	ZINC000848287526	613158667	/nfs/dbraw/zinc/15/86/67/613158667.db2.gz	VGSSJBRNZMXDRG-VIFPVBQESA-N	-1	0	298.302	0.921	20	30		CCEDRM
C#C[C@H]1COCCN1C(=O)NCc1ccccc1C(=O)[O-]	ZINC000874410667	613160927	/nfs/dbraw/zinc/16/09/27/613160927.db2.gz	BGIMAIOFRPTSDG-LBPRGKRZSA-N	-1	0	288.303	0.928	20	30		CCEDRM
C#Cc1ccc(C(=O)N2CCC(O)(C(=O)[O-])CC2)cn1	ZINC000833368090	613168158	/nfs/dbraw/zinc/16/81/58/613168158.db2.gz	GDFUSTCGVSYIPM-UHFFFAOYSA-N	-1	0	274.276	0.115	20	30		CCEDRM
C#Cc1ccc(C(=O)N2CCC[C@H]2CNC(=O)[O-])cn1	ZINC000823466680	613169468	/nfs/dbraw/zinc/16/94/68/613169468.db2.gz	GQRRHXNGARKBGQ-LBPRGKRZSA-N	-1	0	273.292	0.935	20	30		CCEDRM
C#Cc1ccc(C(=O)N2CCO[C@](C)(C(=O)[O-])C2)cc1	ZINC000910323409	613171132	/nfs/dbraw/zinc/17/11/32/613171132.db2.gz	OLDIJOHIPFLNSH-HNNXBMFYSA-N	-1	0	273.288	0.984	20	30		CCEDRM
C#Cc1ccc(C(=O)N[C@](C)(COC)CC(=O)[O-])cn1	ZINC000825636462	613192765	/nfs/dbraw/zinc/19/27/65/613192765.db2.gz	KRZGUVOGBJDXER-AWEZNQCLSA-N	-1	0	276.292	0.673	20	30		CCEDRM
C#Cc1cccc(CNC(=O)C(=O)NC[C@H](C)C(=O)[O-])c1	ZINC000848611622	613199122	/nfs/dbraw/zinc/19/91/22/613199122.db2.gz	QVYNMKWNRJLBEJ-JTQLQIEISA-N	-1	0	288.303	0.121	20	30		CCEDRM
C#Cc1cccc(CNC(=O)N2CCO[C@H](C(=O)[O-])C2)c1	ZINC000840991687	613199951	/nfs/dbraw/zinc/19/99/51/613199951.db2.gz	GEDVWKDHKFKVKF-ZDUSSCGKSA-N	-1	0	288.303	0.663	20	30		CCEDRM
C#CCN1CCC[C@H]1C(=O)N[C@H](CSC)C(=O)[O-]	ZINC000910874357	613202632	/nfs/dbraw/zinc/20/26/32/613202632.db2.gz	VUJZDRABXHQEOW-ZJUUUORDSA-N	-1	0	270.354	0.016	20	30		CCEDRM
C#Cc1cccc(NC(=O)C(=O)NC[C@@H](CC)C(=O)[O-])c1	ZINC000926257254	613202809	/nfs/dbraw/zinc/20/28/09/613202809.db2.gz	NVCFBRLFALIESI-LLVKDONJSA-N	-1	0	288.303	0.833	20	30		CCEDRM
C=C(C)C(C)(C)C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)[O-]	ZINC000910281048	613244768	/nfs/dbraw/zinc/24/47/68/613244768.db2.gz	HRWSEVSUMXIZKL-IUCAKERBSA-N	-1	0	270.329	0.683	20	30		CCEDRM
C#CCNC(=O)CN(CC(=O)[O-])c1ccc(OC)cc1	ZINC000872899947	613328234	/nfs/dbraw/zinc/32/82/34/613328234.db2.gz	PWQHGQYXJQXPMK-UHFFFAOYSA-N	-1	0	276.292	0.336	20	30		CCEDRM
C#CCNC(=O)COC(=O)CN(C(=O)[O-])c1ccccc1	ZINC000823456091	613331451	/nfs/dbraw/zinc/33/14/51/613331451.db2.gz	JVOTWYJWASSRSP-UHFFFAOYSA-N	-1	0	290.275	0.464	20	30		CCEDRM
C=C(C)CO[N-]C(=O)C(=O)Nc1cc(C)cn(C)c1=O	ZINC000846145437	613352349	/nfs/dbraw/zinc/35/23/49/613352349.db2.gz	CZZQCSNZZIDTOH-UHFFFAOYSA-N	-1	0	279.296	0.256	20	30		CCEDRM
C=C(C)CO[N-]C(=O)COc1c(C)occc1=O	ZINC000824028764	613352491	/nfs/dbraw/zinc/35/24/91/613352491.db2.gz	SCLHUJOKJVWJIL-UHFFFAOYSA-N	-1	0	253.254	0.951	20	30		CCEDRM
C=C(C)CS(=O)(=O)N1CCC(OC)(C(=O)[O-])CC1	ZINC000844798946	613354052	/nfs/dbraw/zinc/35/40/52/613354052.db2.gz	MPBAWRLRJWFIGU-UHFFFAOYSA-N	-1	0	277.342	0.458	20	30		CCEDRM
C=C(C)CS(=O)(=O)N[C@@H](CC1CCOCC1)C(=O)[O-]	ZINC000844787757	613354213	/nfs/dbraw/zinc/35/42/13/613354213.db2.gz	ZHHHVZWGCXYRPG-NSHDSACASA-N	-1	0	291.369	0.752	20	30		CCEDRM
C=C(C)C[C@@H](C)C(=O)[N-]S(=O)(=O)c1c(C)onc1N	ZINC000810826598	613354390	/nfs/dbraw/zinc/35/43/90/613354390.db2.gz	DAIMKYFBJBBPHQ-SSDOTTSWSA-N	-1	0	287.341	0.972	20	30		CCEDRM
C=C(C)C[C@@H](CO)NC(=O)Cc1cc(=O)n(CC(C)C)[n-]1	ZINC000829530141	613354532	/nfs/dbraw/zinc/35/45/32/613354532.db2.gz	OMOBHKGVDUGMKB-ZDUSSCGKSA-N	-1	0	295.383	0.818	20	30		CCEDRM
C=C(C)C[C@@H](NC(=O)CCC(=O)[O-])C(=O)OCC	ZINC000902691974	613355688	/nfs/dbraw/zinc/35/56/88/613355688.db2.gz	AMVBSFGNFHAABV-SECBINFHSA-N	-1	0	257.286	0.865	20	30		CCEDRM
C=C(C)C[C@@H](NC(=O)c1csc(CO)n1)C(=O)[O-]	ZINC000910291428	613356184	/nfs/dbraw/zinc/35/61/84/613356184.db2.gz	ILEVIHDDLYUVTM-SSDOTTSWSA-N	-1	0	270.310	0.785	20	30		CCEDRM
C=C(C)C[C@H](C)C(=O)[N-]S(=O)(=O)C[C@H](COC)OC	ZINC000853206059	613357025	/nfs/dbraw/zinc/35/70/25/613357025.db2.gz	LTJJADKXPWHRPL-QWRGUYRKSA-N	-1	0	293.385	0.696	20	30		CCEDRM
C=C(C)C[C@H](NC(=O)Cc1cc(C)[nH]n1)C(=O)[O-]	ZINC000910291642	613358646	/nfs/dbraw/zinc/35/86/46/613358646.db2.gz	KWQIUFHTMOLPNL-JTQLQIEISA-N	-1	0	251.286	0.796	20	30		CCEDRM
C=C(C)C[C@H](NC(=O)NCCCN1CCOCC1)C(=O)[O-]	ZINC000908737439	613358810	/nfs/dbraw/zinc/35/88/10/613358810.db2.gz	KMEOOPZMTSTHTL-LBPRGKRZSA-N	-1	0	299.371	0.427	20	30		CCEDRM
C=C(Cl)C[C@@H](NC(=O)c1cc(OC)n(C)n1)C(=O)[O-]	ZINC000864186777	613388712	/nfs/dbraw/zinc/38/87/12/613388712.db2.gz	XLHPAYDVBJSPPJ-MRVPVSSYSA-N	-1	0	287.703	0.754	20	30		CCEDRM
C=C(Cl)C[C@@H](NS(=O)(=O)[C@H]1CCOC1)C(=O)[O-]	ZINC000863419483	613388784	/nfs/dbraw/zinc/38/87/84/613388784.db2.gz	AWQAIJNFOPZUGI-JGVFFNPUSA-N	-1	0	283.733	0.291	20	30		CCEDRM
C=C(Cl)C[C@H](NC(=O)COCCOC)C(=O)[O-]	ZINC000864181523	613390572	/nfs/dbraw/zinc/39/05/72/613390572.db2.gz	CPCKPAGSZZLFBX-QMMMGPOBSA-N	-1	0	265.693	0.361	20	30		CCEDRM
C=C(Cl)C[C@H](NS(=O)(=O)[C@@H]1CCO[C@H]1C)C(=O)[O-]	ZINC000863420393	613390906	/nfs/dbraw/zinc/39/09/06/613390906.db2.gz	NAGVDUSJIADUKN-XHNCKOQMSA-N	-1	0	297.760	0.679	20	30		CCEDRM
C=CC[C@@H](CO)CNC(=O)N[C@H]1CCCN(C(=O)[O-])C1	ZINC000833370112	613402638	/nfs/dbraw/zinc/40/26/38/613402638.db2.gz	IFJHVRGPTQUURL-MNOVXSKESA-N	-1	0	285.344	0.613	20	30		CCEDRM
C=CC[C@@H](CO)CNS(=O)(=O)c1cccc(C(=O)[O-])c1	ZINC000833369748	613402897	/nfs/dbraw/zinc/40/28/97/613402897.db2.gz	DJGQGMYBZSSOTI-SNVBAGLBSA-N	-1	0	299.348	0.848	20	30		CCEDRM
C=C1CCC(C(=O)NCCn2cc(C(=O)[O-])nn2)CC1	ZINC000909818495	613407854	/nfs/dbraw/zinc/40/78/54/613407854.db2.gz	RDCUYRFUAZVLHU-UHFFFAOYSA-N	-1	0	278.312	0.839	20	30		CCEDRM
C=CC[C@@H]1CCCN(C(=O)NCC(=O)[N-]OC)C1	ZINC000927217802	613407994	/nfs/dbraw/zinc/40/79/94/613407994.db2.gz	IFAWGXFJVDHKAT-SNVBAGLBSA-N	-1	0	255.318	0.662	20	30		CCEDRM
C=CC[C@H](CO)CNS(=O)(=O)c1ccccc1C(=O)[O-]	ZINC000833371487	613416256	/nfs/dbraw/zinc/41/62/56/613416256.db2.gz	SZNZTQKQOQTCJE-JTQLQIEISA-N	-1	0	299.348	0.848	20	30		CCEDRM
C=CCn1c(Sc2c(C)[n-][nH]c2=O)n[nH]c1=O	ZINC000917217779	613424433	/nfs/dbraw/zinc/42/44/33/613424433.db2.gz	OQHRXUNVHYQEGQ-LURJTMIESA-N	-1	0	253.287	0.136	20	30		CCEDRM
C=CCn1c(=O)c2ccc(C(=O)NO)cc2[n-]c1=S	ZINC000843043283	613424595	/nfs/dbraw/zinc/42/45/95/613424595.db2.gz	NHIJHPZJTGWXDO-UHFFFAOYSA-N	-1	0	277.305	0.990	20	30		CCEDRM
C=C[C@@H](C)NC(=O)C(=O)Nc1ccc(OCC(=O)[O-])cc1	ZINC000825653416	613442062	/nfs/dbraw/zinc/44/20/62/613442062.db2.gz	KZMNLQFJBNRVCL-SECBINFHSA-N	-1	0	292.291	0.779	20	30		CCEDRM
C=C[C@@H](C)O[N-]C(=O)C(=O)Nc1cc(CC)n(C)n1	ZINC000846156788	613443216	/nfs/dbraw/zinc/44/32/16/613443216.db2.gz	OUGMUKCKEFDCGL-MRVPVSSYSA-N	-1	0	266.301	0.543	20	30		CCEDRM
C=C[C@@H](C)O[N-]C(=O)C(=O)Nc1c(C)nn(C)c1C	ZINC000846155158	613443222	/nfs/dbraw/zinc/44/32/22/613443222.db2.gz	VGBJWVXQYNDPIP-SSDOTTSWSA-N	-1	0	266.301	0.598	20	30		CCEDRM
C=C[C@@H](C)O[N-]C(=O)C(=O)Nc1cncc(N(C)C)c1	ZINC000873935072	613443332	/nfs/dbraw/zinc/44/33/32/613443332.db2.gz	YTOWDAPQTGFFRK-SECBINFHSA-N	-1	0	278.312	0.708	20	30		CCEDRM
C=C[C@@H](C)O[N-]C(=O)C(=O)Nc1c(OC)ccnc1OC	ZINC000890357898	613443364	/nfs/dbraw/zinc/44/33/64/613443364.db2.gz	CGGIHFNNCRJOFL-MRVPVSSYSA-N	-1	0	295.295	0.660	20	30		CCEDRM
C=CC(C)(C)C(=O)[N-]S(=O)(=O)c1cnn(CC)c1	ZINC000835204362	613444423	/nfs/dbraw/zinc/44/44/23/613444423.db2.gz	MCIIUPXMLAXLEA-UHFFFAOYSA-N	-1	0	271.342	0.920	20	30		CCEDRM
C=C[C@@H](C)O[N-]C(=O)[C@@H]1CCCCN1S(C)(=O)=O	ZINC000846542943	613447056	/nfs/dbraw/zinc/44/70/56/613447056.db2.gz	JKEYMBNMJWNUOA-ZJUUUORDSA-N	-1	0	276.358	0.423	20	30		CCEDRM
C=CC1(S(=O)(=O)[N-]C(=O)CC[C@H](C)OC)CC1	ZINC000870835775	613450355	/nfs/dbraw/zinc/45/03/55/613450355.db2.gz	QTXSLEDYBABDPU-VIFPVBQESA-N	-1	0	261.343	0.966	20	30		CCEDRM
C=CC1(S(=O)(=O)[N-]C(=O)Cc2c(C)nn(C)c2C)CC1	ZINC000870830815	613450846	/nfs/dbraw/zinc/45/08/46/613450846.db2.gz	HFHCCGYGMGVTPK-UHFFFAOYSA-N	-1	0	297.380	0.744	20	30		CCEDRM
C=CC1(S(=O)(=O)[N-]C(=O)C[C@H]2CCCO2)CC1	ZINC000870832042	613450872	/nfs/dbraw/zinc/45/08/72/613450872.db2.gz	QQQSENCWZXASEM-SECBINFHSA-N	-1	0	259.327	0.720	20	30		CCEDRM
C=CC1(S(=O)(=O)[N-]C(=O)[C@H]2CC(=O)N(C3CC3)C2)CC1	ZINC000870832087	613451543	/nfs/dbraw/zinc/45/15/43/613451543.db2.gz	SDHINSHOIXRTKH-VIFPVBQESA-N	-1	0	298.364	0.162	20	30		CCEDRM
C=CC1(S(=O)(=O)[N-]C(=O)c2ccc(=O)n(C)c2)CC1	ZINC000870832685	613451891	/nfs/dbraw/zinc/45/18/91/613451891.db2.gz	DFRBTXUOULWVAO-UHFFFAOYSA-N	-1	0	282.321	0.164	20	30		CCEDRM
C=CC1(S(=O)(=O)[N-]C(=O)c2cc(C#N)cn2C)CC1	ZINC000870833537	613451906	/nfs/dbraw/zinc/45/19/06/613451906.db2.gz	FPFGYMCCTUVAPO-UHFFFAOYSA-N	-1	0	279.321	0.675	20	30		CCEDRM
C=CC1(S(=O)(=O)[N-]C(=O)[C@]2(C)CCC(=O)NC2)CC1	ZINC000870836719	613451924	/nfs/dbraw/zinc/45/19/24/613451924.db2.gz	MKTOEZSOJDHNAS-LLVKDONJSA-N	-1	0	286.353	0.067	20	30		CCEDRM
C=CC1(S(=O)(=O)[N-]C(=O)c2ccnn2C)CC1	ZINC000870832415	613451984	/nfs/dbraw/zinc/45/19/84/613451984.db2.gz	HGTWZHZATCZRCO-UHFFFAOYSA-N	-1	0	255.299	0.198	20	30		CCEDRM
C=CC1(S(=O)(=O)[N-]C(=O)c2cn(CCC)nn2)CC1	ZINC000870835213	613452281	/nfs/dbraw/zinc/45/22/81/613452281.db2.gz	GTLHRULNESLVNH-UHFFFAOYSA-N	-1	0	284.341	0.466	20	30		CCEDRM
C=CCC(CC=C)C(=O)NCC(=O)NCC(=O)[O-]	ZINC000910331731	613453623	/nfs/dbraw/zinc/45/36/23/613453623.db2.gz	DTYPNLIVRVOQDZ-UHFFFAOYSA-N	-1	0	254.286	0.072	20	30		CCEDRM
C=CCC1(S(=O)(=O)[N-]C(=O)CCc2nc(C)no2)CC1	ZINC000810980643	613460768	/nfs/dbraw/zinc/46/07/68/613460768.db2.gz	CTWVHSSSWPFVLI-UHFFFAOYSA-N	-1	0	299.352	0.865	20	30		CCEDRM
C=CCC1(S(=O)(=O)[N-]C(=O)c2cccnn2)CC1	ZINC000860771917	613461458	/nfs/dbraw/zinc/46/14/58/613461458.db2.gz	JHJSVMWRHFFTCY-UHFFFAOYSA-N	-1	0	267.310	0.645	20	30		CCEDRM
C=CCCCC(=O)[N-]S(=O)(=O)[C@H](C)[C@@H](C)C(=O)OC	ZINC000802156445	613464914	/nfs/dbraw/zinc/46/49/14/613464914.db2.gz	GIKLMNLFSHLSRD-NXEZZACHSA-N	-1	0	291.369	0.986	20	30		CCEDRM
C=CCCCNC(=O)N(CCN1CCOCC1)CC(=O)[O-]	ZINC000909123148	613467781	/nfs/dbraw/zinc/46/77/81/613467781.db2.gz	NMGDGYMUDHNPMW-UHFFFAOYSA-N	-1	0	299.371	0.381	20	30		CCEDRM
C=CCCC[C@@H](NC(=O)CN1CCOCC1)C(=O)[O-]	ZINC000910922847	613470397	/nfs/dbraw/zinc/47/03/97/613470397.db2.gz	NMYRLSLVFCQRPK-LLVKDONJSA-N	-1	0	270.329	0.244	20	30		CCEDRM
C=C[C@@](C)(O)C(=O)NCCOc1ccc(C(=O)[O-])cc1	ZINC000909435989	613478298	/nfs/dbraw/zinc/47/82/98/613478298.db2.gz	XZCCBDQNWRTVOV-CQSZACIVSA-N	-1	0	279.292	0.817	20	30		CCEDRM
C=C[C@H](C)O[N-]C(=O)C1(C(=O)OCC)CCOCC1	ZINC000846552361	613483788	/nfs/dbraw/zinc/48/37/88/613483788.db2.gz	GEYXFVUJODJZMC-JTQLQIEISA-N	-1	0	271.313	0.969	20	30		CCEDRM
C=C[C@H](C)O[N-]C(=O)CNC(=O)c1ccc2c(c1)OCO2	ZINC000846541048	613484187	/nfs/dbraw/zinc/48/41/87/613484187.db2.gz	CODDCACLVYMOLQ-VIFPVBQESA-N	-1	0	292.291	0.767	20	30		CCEDRM
C=C[C@H](C)O[N-]C(=O)[C@@H]1[C@H]2CC[C@]3(COC(=O)[C@H]13)O2	ZINC000862133385	613488349	/nfs/dbraw/zinc/48/83/49/613488349.db2.gz	ZDKDACYFTSCNIH-XGJGVMOOSA-N	-1	0	267.281	0.329	20	30		CCEDRM
C=C[C@H](C)O[N-]C(=O)[C@H]1CSCN1C(=O)CC	ZINC000846544337	613488368	/nfs/dbraw/zinc/48/83/68/613488368.db2.gz	GJMMOCQEUBXMOR-DTWKUNHWSA-N	-1	0	258.343	0.920	20	30		CCEDRM
C=C[C@H](O)C(=O)N(CCC(=O)[O-])C1CCOCC1	ZINC000909028953	613493419	/nfs/dbraw/zinc/49/34/19/613493419.db2.gz	ZDQCWLHBMHOZHY-JTQLQIEISA-N	-1	0	257.286	0.016	20	30		CCEDRM
C=C[C@H](O)C(=O)N1CC[C@H](C(=O)[O-])C[C@@H]1[C@@H]1CCCO1	ZINC000923158631	613494931	/nfs/dbraw/zinc/49/49/31/613494931.db2.gz	LFLLFHVLYHLTKX-USZNOCQGSA-N	-1	0	283.324	0.404	20	30		CCEDRM
C=C[C@H](O)C(=O)N1CC[C@@](C)([N-]C(=O)C(F)(F)F)C1	ZINC000830796221	613494969	/nfs/dbraw/zinc/49/49/69/613494969.db2.gz	YAUQXZZUVVWBPT-OIBJUYFYSA-N	-1	0	280.246	0.203	20	30		CCEDRM
C=C[C@H](O)C(=O)N1CCc2ccccc2[C@@H]1C(=O)[O-]	ZINC000909031980	613495048	/nfs/dbraw/zinc/49/50/48/613495048.db2.gz	HEHOGCCYLNZWBB-NWDGAFQWSA-N	-1	0	261.277	0.744	20	30		CCEDRM
C=C[C@H](O)C(=O)N[C@@H](CC(=O)[O-])c1ccncc1	ZINC000911663204	613496961	/nfs/dbraw/zinc/49/69/61/613496961.db2.gz	NFAZJOWWMVPWIB-UWVGGRQHSA-N	-1	0	250.254	0.261	20	30		CCEDRM
C=C[C@](C)(O)C(=O)NC[C@@H](C(=O)[O-])c1ccccc1	ZINC000909294393	613507920	/nfs/dbraw/zinc/50/79/20/613507920.db2.gz	OZELJWFDGRDYOR-RISCZKNCSA-N	-1	0	263.293	0.908	20	30		CCEDRM
CC#CCN1C(=O)N[C@@]2(CCCC[C@H]2CNC(=O)[O-])C1=O	ZINC000823521981	613525040	/nfs/dbraw/zinc/52/50/40/613525040.db2.gz	OTCAYZYTKPRPAI-IINYFYTJSA-N	-1	0	293.323	0.758	20	30		CCEDRM
C=CCCOCC(=O)N1CCC(O)(C(=O)[O-])CC1	ZINC000833374122	613570756	/nfs/dbraw/zinc/57/07/56/613570756.db2.gz	SFCZATNZVIYXHB-UHFFFAOYSA-N	-1	0	257.286	0.017	20	30		CCEDRM
C=CCCOCC(=O)N1CC[C@@H](n2cc(C(=O)[O-])nn2)C1	ZINC000818318146	613571478	/nfs/dbraw/zinc/57/14/78/613571478.db2.gz	PTEABEUMRMQZOZ-SNVBAGLBSA-N	-1	0	294.311	0.342	20	30		CCEDRM
C=CCCOCC(=O)N1CC[C@H](C(=O)[O-])C[C@H]1C(=O)OC	ZINC000833374158	613571497	/nfs/dbraw/zinc/57/14/97/613571497.db2.gz	SZACEZSOBYXCOH-QWRGUYRKSA-N	-1	0	299.323	0.444	20	30		CCEDRM
C=CCCOCC(=O)N1CCO[C@@H]([C@H](C)NC(=O)[O-])C1	ZINC000823495923	613571626	/nfs/dbraw/zinc/57/16/26/613571626.db2.gz	ANGLGYHVZJMMAQ-WDEREUQCSA-N	-1	0	286.328	0.463	20	30		CCEDRM
C=CCCOCC(=O)N1CCO[C@H]([C@H](C)NC(=O)[O-])C1	ZINC000823495922	613571665	/nfs/dbraw/zinc/57/16/65/613571665.db2.gz	ANGLGYHVZJMMAQ-QWRGUYRKSA-N	-1	0	286.328	0.463	20	30		CCEDRM
C=CCCOCC(=O)N[C@H]1CCCCN(CC(=O)[O-])C1=O	ZINC000902438822	613573290	/nfs/dbraw/zinc/57/32/90/613573290.db2.gz	YRLLAOZEBRHFJY-NSHDSACASA-N	-1	0	298.339	0.161	20	30		CCEDRM
C=CCCO[N-]C(=O)[C@@H](C)n1cnc2c1ncnc2N	ZINC000856027261	613576557	/nfs/dbraw/zinc/57/65/57/613576557.db2.gz	GCJGXGWHABBWIB-MRVPVSSYSA-N	-1	0	276.300	0.593	20	30		CCEDRM
C=CCCO[N-]C(=O)[C@H](C(C)C)N1CCCS1(=O)=O	ZINC000856034494	613577078	/nfs/dbraw/zinc/57/70/78/613577078.db2.gz	NYFHLAZQZUUGIC-NSHDSACASA-N	-1	0	290.385	0.670	20	30		CCEDRM
C=CCCO[N-]C(=O)[C@H]1Nc2ccccc2S(=O)(=O)N1	ZINC000856031296	613577279	/nfs/dbraw/zinc/57/72/79/613577279.db2.gz	KFRJFROYDTXMBS-NSHDSACASA-N	-1	0	297.336	0.340	20	30		CCEDRM
C=CCCO[C@@H](C)C(=O)N1C[C@H](O)C[C@H]1C(=O)[O-]	ZINC000833373941	613577968	/nfs/dbraw/zinc/57/79/68/613577968.db2.gz	KAROWSLCXCCUGA-AEJSXWLSSA-N	-1	0	257.286	0.014	20	30		CCEDRM
C=CCCS(=O)(=O)NCC1CCN(C(=O)[O-])CC1	ZINC000823500173	613581079	/nfs/dbraw/zinc/58/10/79/613581079.db2.gz	AIBLCTQAZNRYTJ-UHFFFAOYSA-N	-1	0	276.358	0.872	20	30		CCEDRM
C=CCCS(=O)(=O)N[C@](C)(CNC(=O)[O-])C1CC1	ZINC000823501362	613582301	/nfs/dbraw/zinc/58/23/01/613582301.db2.gz	VTIAFFXEYQOWFM-LLVKDONJSA-N	-1	0	276.358	0.918	20	30		CCEDRM
C=CCC[C@@H](NC(=O)c1cc2n(n1)CCCO2)C(=O)[O-]	ZINC000909712873	613584930	/nfs/dbraw/zinc/58/49/30/613584930.db2.gz	NISJPWUXOMQOMY-SECBINFHSA-N	-1	0	279.296	0.815	20	30		CCEDRM
C=CCC[C@@H](NC(=O)NOC[C@@H]1CCOC1)C(=O)[O-]	ZINC000909248070	613584983	/nfs/dbraw/zinc/58/49/83/613584983.db2.gz	DNSWLNSJLNSKMG-NXEZZACHSA-N	-1	0	272.301	0.673	20	30		CCEDRM
C=CCC[C@H](NC(=O)/C=C/c1cn(C)cn1)C(=O)[O-]	ZINC000923081642	613589526	/nfs/dbraw/zinc/58/95/26/613589526.db2.gz	LWCDXZZHVXMEHS-MLRMMBSGSA-N	-1	0	263.297	0.969	20	30		CCEDRM
C=CCC[C@H](NC(=O)[C@@H](O)c1cccnc1)C(=O)[O-]	ZINC000909718145	613589832	/nfs/dbraw/zinc/58/98/32/613589832.db2.gz	MYOOLEWSWQPAAV-QWRGUYRKSA-N	-1	0	264.281	0.651	20	30		CCEDRM
C=CCC[C@H](NC(=O)[C@@H]1CCc2nnn(C)c2C1)C(=O)[O-]	ZINC000909713594	613590041	/nfs/dbraw/zinc/59/00/41/613590041.db2.gz	GMOIQBCZWXPZSW-KOLCDFICSA-N	-1	0	292.339	0.456	20	30		CCEDRM
C=CCCn1cc(C(=O)N[C@H]2CC[C@H]2C(=O)[O-])nn1	ZINC000923139568	613595454	/nfs/dbraw/zinc/59/54/54/613595454.db2.gz	LPFMFGHESKLEMD-BDAKNGLRSA-N	-1	0	264.285	0.447	20	30		CCEDRM
C=CCN(C(=O)C(=O)NC[C@@H](C)C(=O)[O-])C(C)C	ZINC000848608435	613603299	/nfs/dbraw/zinc/60/32/99/613603299.db2.gz	GCHMBUUPGYGISR-SECBINFHSA-N	-1	0	256.302	0.246	20	30		CCEDRM
C=CCN(CC(=O)[O-])C(=O)[C@H](CC)N1CCO[C@@H](CC)C1	ZINC000909516958	613643201	/nfs/dbraw/zinc/64/32/01/613643201.db2.gz	VIQIZMMJLVUIRZ-STQMWFEESA-N	-1	0	298.383	0.975	20	30		CCEDRM
C=CCN(CC(=O)[O-])C(=O)[C@@H]1C[C@H]1c1cncn1C	ZINC000909514788	613643229	/nfs/dbraw/zinc/64/32/29/613643229.db2.gz	CKXONOZTLATZHF-NXEZZACHSA-N	-1	0	263.297	0.623	20	30		CCEDRM
C=CCN(CC(=O)[O-])C(=O)[C@H]1CCCc2n[nH]cc21	ZINC000909515632	613643341	/nfs/dbraw/zinc/64/33/41/613643341.db2.gz	DVCWOHCFNKLVCN-VIFPVBQESA-N	-1	0	263.297	0.929	20	30		CCEDRM
C=CCN(CC(=O)[O-])C(=O)c1cnn(CCOCC)c1	ZINC000856925258	613643636	/nfs/dbraw/zinc/64/36/36/613643636.db2.gz	OTIVAKPLSJYBAR-UHFFFAOYSA-N	-1	0	281.312	0.632	20	30		CCEDRM
C=CCN(CC(=O)[O-])C(=O)c1cnn(CC)c1C	ZINC000909517075	613643714	/nfs/dbraw/zinc/64/37/14/613643714.db2.gz	ZNKFXQAPPITSKI-UHFFFAOYSA-N	-1	0	251.286	0.924	20	30		CCEDRM
CC#CCS(=O)(=O)[N-]C(=O)CSCCCC	ZINC000810778536	613645881	/nfs/dbraw/zinc/64/58/81/613645881.db2.gz	CFNUSQAGIGRXTL-UHFFFAOYSA-N	-1	0	263.384	0.989	20	30		CCEDRM
CC#CCS(=O)(=O)[N-]C(=O)Cc1cscn1	ZINC000853122935	613646127	/nfs/dbraw/zinc/64/61/27/613646127.db2.gz	MPQHMKCMUWCDPJ-UHFFFAOYSA-N	-1	0	258.324	0.155	20	30		CCEDRM
CC#CCS(=O)(=O)[N-]C(=O)Cc1ncccc1OC	ZINC000810776635	613646303	/nfs/dbraw/zinc/64/63/03/613646303.db2.gz	AUVLBOWHEKRUTG-UHFFFAOYSA-N	-1	0	282.321	0.102	20	30		CCEDRM
CC#CCS(=O)(=O)[N-]C(=O)[C@@H]1CC[C@H]2C[C@H]2C1	ZINC000817732440	613646827	/nfs/dbraw/zinc/64/68/27/613646827.db2.gz	ILGGYRWFJXITFY-AXFHLTTASA-N	-1	0	255.339	0.892	20	30		CCEDRM
CC#CCS(=O)(=O)[N-]C(=O)[C@H]1CCCC[C@H]1OC	ZINC000816056536	613647207	/nfs/dbraw/zinc/64/72/07/613647207.db2.gz	WOTWAYOJRIBBIU-WDEREUQCSA-N	-1	0	273.354	0.661	20	30		CCEDRM
CC#CCS(=O)(=O)[N-]C(=O)c1ccc([N+](=O)[O-])c(C)c1	ZINC000810776334	613647384	/nfs/dbraw/zinc/64/73/84/613647384.db2.gz	PGBWZHSQUVADIQ-UHFFFAOYSA-N	-1	0	296.304	0.986	20	30		CCEDRM
CC#CCS(=O)(=O)[N-]C(=O)c1cc(C)c(C)o1	ZINC000810774885	613647646	/nfs/dbraw/zinc/64/76/46/613647646.db2.gz	PSIXIOCPWTUDDL-UHFFFAOYSA-N	-1	0	255.295	0.979	20	30		CCEDRM
CC(=NNCC(=O)[O-])c1cccc(NS(C)(=O)=O)c1	ZINC000814959768	613654244	/nfs/dbraw/zinc/65/42/44/613654244.db2.gz	AWJNKVJYXFDDIL-UHFFFAOYSA-N	-1	0	285.325	0.456	20	30		CCEDRM
Cc1ccc(N=NC(C)c2cn(CC(=O)[O-])nn2)nc1	ZINC000825809092	613657204	/nfs/dbraw/zinc/65/72/04/613657204.db2.gz	MRPWCVGLSZWZQU-UHFFFAOYSA-N	-1	0	274.284	0.902	20	30		CCEDRM
Cc1cc(C)nc(N=NC(C)c2cn(CC(=O)[O-])nn2)n1	ZINC000825809114	613657427	/nfs/dbraw/zinc/65/74/27/613657427.db2.gz	NTCJNXHRNFKPEJ-UHFFFAOYSA-N	-1	0	289.299	0.606	20	30		CCEDRM
C=CCNC(=O)CN(CC(=O)[O-])c1ccc(OC)cc1	ZINC000872887074	613844937	/nfs/dbraw/zinc/84/49/37/613844937.db2.gz	QBSNBNWUDGFOGS-UHFFFAOYSA-N	-1	0	278.308	0.888	20	30		CCEDRM
C=CCNC(=O)CNC(=O)c1ccc(OCC(=O)[O-])cc1	ZINC000833376643	613846899	/nfs/dbraw/zinc/84/68/99/613846899.db2.gz	MEFNJIBYUYKFAB-UHFFFAOYSA-N	-1	0	292.291	0.182	20	30		CCEDRM
C=CCNC(=O)C(C#N)=C([O-])c1cc(C)c(C(=O)OC)o1	ZINC000860471203	613852885	/nfs/dbraw/zinc/85/28/85/613852885.db2.gz	DCQWSERLVDVJHZ-VIFPVBQESA-N	-1	0	290.275	0.999	20	30		CCEDRM
C=CCNC(=O)[C@H](C)N1CCO[C@@H]([C@@H](C)NC(=O)[O-])C1	ZINC000823507478	613855148	/nfs/dbraw/zinc/85/51/48/613855148.db2.gz	YZOJGTZWCRPKJW-OUAUKWLOSA-N	-1	0	285.344	0.034	20	30		CCEDRM
C=CCOCCNc1cc(C)nc2nc(C(=O)[O-])nn21	ZINC000833377657	613881211	/nfs/dbraw/zinc/88/12/11/613881211.db2.gz	HGLFPBNSZZVWKB-UHFFFAOYSA-N	-1	0	277.284	0.745	20	30		CCEDRM
C=CCOC[C@@H](NC(=O)[C@@H](CCC)OC)C(=O)[O-]	ZINC000909772524	613881840	/nfs/dbraw/zinc/88/18/40/613881840.db2.gz	RGCPTMQPTWCFCH-NXEZZACHSA-N	-1	0	259.302	0.574	20	30		CCEDRM
C=CCOC[C@@H](NC(=O)[C@H](C)Cc1cnn(C)c1)C(=O)[O-]	ZINC000909770906	613881847	/nfs/dbraw/zinc/88/18/47/613881847.db2.gz	MKOBKRZZNQUQSR-ZYHUDNBSSA-N	-1	0	295.339	0.371	20	30		CCEDRM
C=CCOC[C@H](NC(=O)N[C@@H](C)[C@H]1CCOC1)C(=O)[O-]	ZINC000797726430	613882316	/nfs/dbraw/zinc/88/23/16/613882316.db2.gz	FZNNVUDTTLUWLW-DCAQKATOSA-N	-1	0	286.328	0.366	20	30		CCEDRM
C=CCOC[C@H](NC(=O)[C@@H](C)[C@@H](O)CC)C(=O)[O-]	ZINC000909770883	613882497	/nfs/dbraw/zinc/88/24/97/613882497.db2.gz	MJFHBESBLSUBIJ-GUBZILKMSA-N	-1	0	259.302	0.165	20	30		CCEDRM
C=CCOC[C@H](NC(=O)[C@@H]1CCCCN1C)C(=O)[O-]	ZINC000909765296	613882508	/nfs/dbraw/zinc/88/25/08/613882508.db2.gz	BAJFUBJRXMEFNB-QWRGUYRKSA-N	-1	0	270.329	0.243	20	30		CCEDRM
C=CCOC[C@H](NC(=O)[C@@H]1OC[C@@H]2CCC[C@@H]21)C(=O)[O-]	ZINC000909767910	613882562	/nfs/dbraw/zinc/88/25/62/613882562.db2.gz	RQGKAVCGFFMOSQ-FIQHERPVSA-N	-1	0	283.324	0.574	20	30		CCEDRM
C=CCOc1cccc(NC(=O)C(=O)N[C@H](C)C(=O)[O-])c1	ZINC000817685781	613884676	/nfs/dbraw/zinc/88/46/76/613884676.db2.gz	IVDWYWQYYDOPAH-SECBINFHSA-N	-1	0	292.291	0.779	20	30		CCEDRM
C=CCOc1cccnc1C(=O)NCC(=O)[N-]OCC	ZINC000846493891	613884960	/nfs/dbraw/zinc/88/49/60/613884960.db2.gz	MOWWRDFBCAUXDH-UHFFFAOYSA-N	-1	0	279.296	0.444	20	30		CCEDRM
C=CCS(=O)(=O)[N-]C(=O)COCc1ccccn1	ZINC000805902198	613886105	/nfs/dbraw/zinc/88/61/05/613886105.db2.gz	LGVXOIUUYAQZMS-UHFFFAOYSA-N	-1	0	270.310	0.230	20	30		CCEDRM
C=CCS(=O)(=O)[N-]C(=O)[C@@]1(C)COc2ccccc2O1	ZINC000860631247	613886226	/nfs/dbraw/zinc/88/62/26/613886226.db2.gz	PXYLKOORTMDMQZ-CYBMUJFWSA-N	-1	0	297.332	0.849	20	30		CCEDRM
C=CCS(=O)(=O)[N-]C(=O)c1c(Cl)cnn1CC	ZINC000857013708	613886345	/nfs/dbraw/zinc/88/63/45/613886345.db2.gz	BCTUNMWNYLQKPJ-UHFFFAOYSA-N	-1	0	277.733	0.802	20	30		CCEDRM
CC(C)NC(=O)[C@H](C#N)C(=O)[C@H]1CC[C@H](NC(=O)[O-])C1	ZINC000824368531	613933694	/nfs/dbraw/zinc/93/36/94/613933694.db2.gz	LWOTVQGPZPFZFY-LPEHRKFASA-N	-1	0	281.312	0.656	20	30		CCEDRM
CC(C)(C)NC(=O)CCNC(=O)[C@@](C)(C#N)CC(=O)[O-]	ZINC000819908416	613947546	/nfs/dbraw/zinc/94/75/46/613947546.db2.gz	BJEPAYRKEQXPAB-CYBMUJFWSA-N	-1	0	283.328	0.412	20	30		CCEDRM
CC(C)(C)OC(=O)C[C@](C)(C#N)C(=O)NCCC(=O)[O-]	ZINC000819915066	613970125	/nfs/dbraw/zinc/97/01/25/613970125.db2.gz	SUGCMACMWCGWJL-CYBMUJFWSA-N	-1	0	284.312	0.839	20	30		CCEDRM
CC(C)(C)[C@@H](NC(=O)CNc1ccc(C#N)cn1)C(=O)[O-]	ZINC000833424828	614021980	/nfs/dbraw/zinc/02/19/80/614021980.db2.gz	XLGBHAUYKNVGAA-LBPRGKRZSA-N	-1	0	290.323	0.981	20	30		CCEDRM
CC(C)(CNC(=O)C(=O)Nc1ccc(C#N)cc1)C(=O)[O-]	ZINC000826551470	614092334	/nfs/dbraw/zinc/09/23/34/614092334.db2.gz	UAFPPWNLWZIYFB-UHFFFAOYSA-N	-1	0	289.291	0.724	20	30		CCEDRM
CC(C)C[C@@H](C#N)NC(=O)Cn1cc(C(=O)[O-])nn1	ZINC000826754698	614179953	/nfs/dbraw/zinc/17/99/53/614179953.db2.gz	QNZXVKVFKSYIOH-QMMMGPOBSA-N	-1	0	265.273	0.031	20	30		CCEDRM
CC(C)[C@@](C)(C#N)NC(=O)[C@H](C)N1CC[C@@H](NC(=O)[O-])C1	ZINC000823678844	614180838	/nfs/dbraw/zinc/18/08/38/614180838.db2.gz	WFGPWWRGCPJSMF-MISXGVKJSA-N	-1	0	296.371	0.771	20	30		CCEDRM
CC(C)[C@H](NC(=O)[O-])C(=O)NC[C@@H]1CCCN(CC#N)C1	ZINC000824137999	614234139	/nfs/dbraw/zinc/23/41/39/614234139.db2.gz	YNMVVZBXTCETDJ-RYUDHWBXSA-N	-1	0	296.371	0.630	20	30		CCEDRM
CC(C)Cn1cc(C(=O)[N-]S(=O)(=O)CCC#N)cn1	ZINC000821582603	614238052	/nfs/dbraw/zinc/23/80/52/614238052.db2.gz	RLKAWOKDLHXGSA-UHFFFAOYSA-N	-1	0	284.341	0.512	20	30		CCEDRM
CC(C)n1cc(CN[C@@H]2CCCN(O)C2=O)nn1	ZINC000895158885	614356397	/nfs/dbraw/zinc/35/63/97/614356397.db2.gz	PXCJFSQIQCSTMA-SNVBAGLBSA-N	-1	0	253.306	0.329	20	30		CCEDRM
CCCc1cc(C(=O)N2CCN(C(=O)[O-])C[C@@H]2C#N)[nH]n1	ZINC000826950268	614465092	/nfs/dbraw/zinc/46/50/92/614465092.db2.gz	YKIVZZFAPLVZNV-JTQLQIEISA-N	-1	0	291.311	0.690	20	30		CCEDRM
CCCNC(=S)NN=Cc1ccc(C(=O)[O-])nc1	ZINC000901154646	614877423	/nfs/dbraw/zinc/87/74/23/614877423.db2.gz	RXSPGIVUOXAFPZ-UHFFFAOYSA-N	-1	0	266.326	0.988	20	30		CCEDRM
C[C@](C#N)(CC(=O)[O-])C(=O)NCC1(C)CCOCC1	ZINC000820214946	614900976	/nfs/dbraw/zinc/90/09/76/614900976.db2.gz	KMZAFBMTJOZFQY-CYBMUJFWSA-N	-1	0	268.313	0.924	20	30		CCEDRM
CCN(CC#N)S(=O)(=O)c1ccccc1-c1nn[nH]n1	ZINC000825395518	614923887	/nfs/dbraw/zinc/92/38/87/614923887.db2.gz	RCNIDGBSKQTGOW-UHFFFAOYSA-N	-1	0	292.324	0.401	20	30		CCEDRM
CCCOc1cccnc1C(=O)N[C@H]1CCN(O)C1=O	ZINC000820144453	614953780	/nfs/dbraw/zinc/95/37/80/614953780.db2.gz	WCEMONAHTHCMPQ-VIFPVBQESA-N	-1	0	279.296	0.590	20	30		CCEDRM
CCC[C@@H](C#N)NC(=O)[C@]1(F)CCN(C(=O)[O-])C1	ZINC000826705916	614971300	/nfs/dbraw/zinc/97/13/00/614971300.db2.gz	JGWGAPWHDNMICU-KWQFWETISA-N	-1	0	257.265	0.887	20	30		CCEDRM
CC1CC(C#N)(C(=O)N2CC[C@@](F)(C(=O)[O-])C2)C1	ZINC000828151570	615011116	/nfs/dbraw/zinc/01/11/16/615011116.db2.gz	WKTIEXIHBNDMNJ-PVTSGAJSSA-N	-1	0	254.261	0.951	20	30		CCEDRM
CCN(CCC#N)C(=O)CN1CCSC[C@@H]1CC(=O)[O-]	ZINC000829692301	615021369	/nfs/dbraw/zinc/02/13/69/615021369.db2.gz	FNFIYWPEXPZWJL-NSHDSACASA-N	-1	0	299.396	0.641	20	30		CCEDRM
CCNC(=O)CN[C@@H](C(=O)[O-])c1cccc(C#N)c1	ZINC000829790614	615050278	/nfs/dbraw/zinc/05/02/78/615050278.db2.gz	XNLDLNSYAAUWKB-GFCCVEGCSA-N	-1	0	261.281	0.410	20	30		CCEDRM
CCN(CCNC(=O)c1cc(C#N)c[nH]1)C(=O)[O-]	ZINC000827145694	615051193	/nfs/dbraw/zinc/05/11/93/615051193.db2.gz	BMQZXYPDGNOPLU-UHFFFAOYSA-N	-1	0	250.258	0.616	20	30		CCEDRM
CCOC1CC(C(=O)[N-]S(=O)(=O)CCC#N)C1	ZINC000835410184	615211557	/nfs/dbraw/zinc/21/15/57/615211557.db2.gz	QGALFRJQHJAYEJ-UHFFFAOYSA-N	-1	0	260.315	0.161	20	30		CCEDRM
CCOCCCNC(=O)C(C#N)=C([O-])c1ccnn1CC	ZINC000123205140	615245334	/nfs/dbraw/zinc/24/53/34/615245334.db2.gz	SJGGCKQVHBHKHX-LLVKDONJSA-N	-1	0	292.339	0.768	20	30		CCEDRM
CCOCCO[C@H]1CCN(C(=O)[C@@](C)(C#N)CC(=O)[O-])C1	ZINC000820382694	615295296	/nfs/dbraw/zinc/29/52/96/615295296.db2.gz	DVIVRVAXHCLZOX-SMDDNHRTSA-N	-1	0	298.339	0.645	20	30		CCEDRM
CCOC[C@@H]1CCN(C(=O)[C@@](C)(C#N)CC(=O)[O-])C1	ZINC000820378201	615310436	/nfs/dbraw/zinc/31/04/36/615310436.db2.gz	XSCWMPBNDCWYJG-ZWNOBZJWSA-N	-1	0	268.313	0.876	20	30		CCEDRM
CCO[N-]C(=O)CNC(=O)Cc1ccc(OCC#N)cc1	ZINC000846496165	615358239	/nfs/dbraw/zinc/35/82/39/615358239.db2.gz	LWUDREJLZFAOKZ-UHFFFAOYSA-N	-1	0	291.307	0.315	20	30		CCEDRM
CCO[N-]C(=O)CNC(=O)[C@@H](C#N)CCc1ccccc1	ZINC000846491403	615368081	/nfs/dbraw/zinc/36/80/81/615368081.db2.gz	OUGHRACYVRECBR-CYBMUJFWSA-N	-1	0	289.335	0.943	20	30		CCEDRM
CCO[N-]C(=O)CNC(=O)c1ccc(C#N)c(OC)c1	ZINC000855023973	615371104	/nfs/dbraw/zinc/37/11/04/615371104.db2.gz	JXGPHUXGVKMGIA-UHFFFAOYSA-N	-1	0	277.280	0.364	20	30		CCEDRM
CCO[N-]C(=O)CNC(=O)c1ccccc1CC#N	ZINC000869148906	615372515	/nfs/dbraw/zinc/37/25/15/615372515.db2.gz	NBBMTAOVUYAISI-UHFFFAOYSA-N	-1	0	261.281	0.550	20	30		CCEDRM
CCOc1nnc(COC(=O)[C@](C)(C#N)CC(=O)[O-])s1	ZINC000820391712	615527396	/nfs/dbraw/zinc/52/73/96/615527396.db2.gz	ILQJBZOZSNMHGE-NSHDSACASA-N	-1	0	299.308	0.985	20	30		CCEDRM
CC[C@@H](NN=Cc1nc(Br)nn1C)C(=O)[O-]	ZINC000863114522	615536540	/nfs/dbraw/zinc/53/65/40/615536540.db2.gz	MAJSKAIRBXIUFZ-RXMQYKEDSA-N	-1	0	290.121	0.364	20	30		CCEDRM
CC[C@@H](O)CNN=Cc1ccccc1OCC(=O)[O-]	ZINC000811655939	615542211	/nfs/dbraw/zinc/54/22/11/615542211.db2.gz	YPVVGEYREYJOCY-LLVKDONJSA-N	-1	0	266.297	0.844	20	30		CCEDRM
CCn1nc(C)c(C([O-])=C(C#N)C(=O)NC2CCCC2)n1	ZINC000815913305	615650612	/nfs/dbraw/zinc/65/06/12/615650612.db2.gz	OAVHJDXPDGGCIX-NSHDSACASA-N	-1	0	289.339	0.988	20	30		CCEDRM
CCc1ccc(C#CC(=O)N(C)Cc2nc(=O)o[n-]2)cc1	ZINC000911452748	615660076	/nfs/dbraw/zinc/66/00/76/615660076.db2.gz	ZPZXXYZXTWGMRZ-UHFFFAOYSA-N	-1	0	285.303	0.935	20	30		CCEDRM
CC[C@H](CCO)CNC(=O)[C@](C)(C#N)CC(=O)[O-]	ZINC000820278304	615706658	/nfs/dbraw/zinc/70/66/58/615706658.db2.gz	MBDVXYIKISIVGU-SKDRFNHKSA-N	-1	0	256.302	0.516	20	30		CCEDRM
CCn1ncn([N-]C(=O)c2sccc2C#N)c1=O	ZINC000816734824	615734760	/nfs/dbraw/zinc/73/47/60/615734760.db2.gz	GADABTXNBZPPLF-UHFFFAOYSA-N	-1	0	263.282	0.382	20	30		CCEDRM
CC[C@H](C[C@H](C)CO)NC(=O)[C@@](C)(C#N)CC(=O)[O-]	ZINC000820272486	615748828	/nfs/dbraw/zinc/74/88/28/615748828.db2.gz	CQUCQEWHZPGCMB-OPQQBVKSSA-N	-1	0	270.329	0.904	20	30		CCEDRM
CCc1ncc(NC(=O)[C@](C)(C#N)CC(=O)[O-])cn1	ZINC000820498587	615775846	/nfs/dbraw/zinc/77/58/46/615775846.db2.gz	QWFLKSQDXCQTFK-LBPRGKRZSA-N	-1	0	262.269	0.982	20	30		CCEDRM
CC[C@H](NC(=O)COc1cccc(C#N)c1)C(=O)[O-]	ZINC000828939956	615797451	/nfs/dbraw/zinc/79/74/51/615797451.db2.gz	ZNKWZNMVBYBBAQ-NSHDSACASA-N	-1	0	262.265	0.916	20	30		CCEDRM
CC[C@H](NN=C1C(=O)Nc2c1cccc2OC)C(=O)[O-]	ZINC000842533967	615819914	/nfs/dbraw/zinc/81/99/14/615819914.db2.gz	XTGWAMJENCUHLC-QMMMGPOBSA-N	-1	0	277.280	0.804	20	30		CCEDRM
CCc1noc(C)c1Cn1c(N)nc(-c2nnn[n-]2)c1C#N	ZINC000821554758	615833956	/nfs/dbraw/zinc/83/39/56/615833956.db2.gz	QZRZQPDYNZDPGS-UHFFFAOYSA-N	-1	0	299.298	0.424	20	30		CCEDRM
CN(C)C(=O)c1ccc(C=NNCCC(=O)[O-])[nH]1	ZINC000820535492	615834968	/nfs/dbraw/zinc/83/49/68/615834968.db2.gz	OQPCZQVEJXWRFN-UHFFFAOYSA-N	-1	0	252.274	0.115	20	30		CCEDRM
CCc1oc(C=NNCC(=O)[O-])cc1C(=O)OC	ZINC000814961007	615870868	/nfs/dbraw/zinc/87/08/68/615870868.db2.gz	VRVOXEGGSQFIAX-UHFFFAOYSA-N	-1	0	254.242	0.637	20	30		CCEDRM
CCc1onc(C)c1C(=O)N[C@H]1CCCN(O)C1=O	ZINC000816753441	615887486	/nfs/dbraw/zinc/88/74/86/615887486.db2.gz	IGVAFHNBFJFROJ-QMMMGPOBSA-N	-1	0	267.285	0.655	20	30		CCEDRM
CN(C(=O)c1ccc(C#N)nc1)[C@H]1CCN(C(=O)[O-])C1	ZINC000827932109	615901085	/nfs/dbraw/zinc/90/10/85/615901085.db2.gz	KUEXJOGNMOINDH-NSHDSACASA-N	-1	0	274.280	0.778	20	30		CCEDRM
CN(C)C(=O)CN(C)[C@@H](C(=O)[O-])c1cccc(C#N)c1	ZINC000830551856	615960780	/nfs/dbraw/zinc/96/07/80/615960780.db2.gz	NWZPIRUHENNDJQ-CYBMUJFWSA-N	-1	0	275.308	0.704	20	30		CCEDRM
CCn1cc(S(=O)(=O)[N-]C(=O)CC2(C#N)CC2)cn1	ZINC000815973386	616010704	/nfs/dbraw/zinc/01/07/04/616010704.db2.gz	FDAJBKZRAKJFMV-UHFFFAOYSA-N	-1	0	282.325	0.402	20	30		CCEDRM
CN(CCCC(=O)[O-])S(=O)(=O)CC(C)(C)C#N	ZINC000905986766	616072038	/nfs/dbraw/zinc/07/20/38/616072038.db2.gz	VLCALXSLUZPVTQ-UHFFFAOYSA-N	-1	0	262.331	0.663	20	30		CCEDRM
CN1C(=O)CC[C@H](/N=C\c2cc([N+](=O)[O-])ccc2[O-])C1=O	ZINC000818995114	616130393	/nfs/dbraw/zinc/13/03/93/616130393.db2.gz	PWJKKPDEYWNSMT-IXIHQHOXSA-N	-1	0	291.263	0.867	20	30		CCEDRM
COCCNC(=O)C(C#N)=C([O-])c1cccc(C#N)n1	ZINC000810529959	616491896	/nfs/dbraw/zinc/49/18/96/616491896.db2.gz	RWGBVJKGJXFZDJ-JTQLQIEISA-N	-1	0	272.264	0.038	20	30		CCEDRM
COCCNC(=O)C(C#N)=C([O-])c1coc(C2CC2)n1	ZINC000802040930	616492671	/nfs/dbraw/zinc/49/26/71/616492671.db2.gz	UNSSSYNMKMLXKV-VIFPVBQESA-N	-1	0	277.280	0.637	20	30		CCEDRM
COCCNC(=O)C(C#N)=C([O-])c1cn(C(C)C)nc1C	ZINC000847623441	616492857	/nfs/dbraw/zinc/49/28/57/616492857.db2.gz	KLELNCIJRIRXDL-NSHDSACASA-N	-1	0	292.339	0.858	20	30		CCEDRM
COC(=O)[C@H](CC(=O)[O-])NC(=O)c1ccc(C#N)s1	ZINC000831066958	616588815	/nfs/dbraw/zinc/58/88/15/616588815.db2.gz	LZAZWEBDOOPOIS-ZETCQYMHSA-N	-1	0	282.277	0.366	20	30		CCEDRM
COC(=O)CN(CCCC(C)(C)C#N)CC(=O)[O-]	ZINC000831175638	616590196	/nfs/dbraw/zinc/59/01/96/616590196.db2.gz	PORPLHHRXALCOJ-UHFFFAOYSA-N	-1	0	256.302	0.876	20	30		CCEDRM
COCCS(=O)(=O)[N-]C(=O)CCc1ccc(C#N)cc1	ZINC000111993532	616609216	/nfs/dbraw/zinc/60/92/16/616609216.db2.gz	VFQLRCYBRKZYJF-UHFFFAOYSA-N	-1	0	296.348	0.583	20	30		CCEDRM
COCCn1cc(NC(=O)[C@@](C)(C#N)CC(=O)[O-])cn1	ZINC000820738500	616738207	/nfs/dbraw/zinc/73/82/07/616738207.db2.gz	FZDWGSSMVPSKIO-GFCCVEGCSA-N	-1	0	280.284	0.473	20	30		CCEDRM
COC(=O)Cn1cccc1C=NNCCC(=O)[O-]	ZINC000820668052	616740756	/nfs/dbraw/zinc/74/07/56/616740756.db2.gz	LQYSSIFTFUAXOG-UHFFFAOYSA-N	-1	0	253.258	0.059	20	30		CCEDRM
CNC(=O)C(C#N)=C([O-])c1cn2ccc(C)cc2n1	ZINC000917003156	616777852	/nfs/dbraw/zinc/77/78/52/616777852.db2.gz	SJUUQMQJFVUBOC-VIFPVBQESA-N	-1	0	256.265	0.711	20	30		CCEDRM
COC[C@](C)(C#N)NC(=O)[C@@H]1CCC[C@H](C(=O)[O-])C1	ZINC000831541094	616817378	/nfs/dbraw/zinc/81/73/78/616817378.db2.gz	MFSMUCOSLXXQLW-NRUUGDAUSA-N	-1	0	268.313	0.922	20	30		CCEDRM
COCCC1(C(=O)[N-]S(=O)(=O)CC2(C#N)CC2)CC1	ZINC000793201179	616839203	/nfs/dbraw/zinc/83/92/03/616839203.db2.gz	ITQHRKALRNVLAR-UHFFFAOYSA-N	-1	0	286.353	0.553	20	30		CCEDRM
COC(=O)c1ccc(C(=O)N(CC#N)CC(=O)[O-])cc1F	ZINC000831359233	616878874	/nfs/dbraw/zinc/87/88/74/616878874.db2.gz	KWVARKYMZXBNDU-UHFFFAOYSA-N	-1	0	294.238	0.663	20	30		CCEDRM
COC[C@@H](NC(=O)C1(C#N)CCCCC1)C(=O)[O-]	ZINC000923077840	616879556	/nfs/dbraw/zinc/87/95/56/616879556.db2.gz	ZYNUHAKMAYLPFX-SECBINFHSA-N	-1	0	254.286	0.676	20	30		CCEDRM
COCCCNC(=O)C(C#N)=C([O-])c1cncc(F)c1	ZINC000151543249	616901798	/nfs/dbraw/zinc/90/17/98/616901798.db2.gz	JJGCAXYZXRXGIQ-LLVKDONJSA-N	-1	0	279.271	0.696	20	30		CCEDRM
COCc1cccc(CC(=O)N[C@@H]2CCCN(O)C2=O)c1	ZINC000816758923	616903475	/nfs/dbraw/zinc/90/34/75/616903475.db2.gz	ANWFBOMNIAMCIM-CYBMUJFWSA-N	-1	0	292.335	0.872	20	30		CCEDRM
COC(=O)c1cnc(NC(=O)[C@@](C)(C#N)CC(=O)[O-])s1	ZINC000820693859	616980429	/nfs/dbraw/zinc/98/04/29/616980429.db2.gz	LTAOTUDSNZHDQG-LLVKDONJSA-N	-1	0	297.292	0.873	20	30		CCEDRM
COCCN(CC(=O)OCc1ccnc(C#N)c1)C(=O)[O-]	ZINC000828978996	616987224	/nfs/dbraw/zinc/98/72/24/616987224.db2.gz	AFGRIDQPEZHYHV-UHFFFAOYSA-N	-1	0	293.279	0.623	20	30		CCEDRM
COC[C@@](C)(CC(=O)[O-])NS(=O)(=O)CCCC#N	ZINC000831584743	617014701	/nfs/dbraw/zinc/01/47/01/617014701.db2.gz	GWUPQXFFVVDUDD-SNVBAGLBSA-N	-1	0	278.330	0.089	20	30		CCEDRM
COC[C@H](C)NC(=S)NN=Cc1ccc(C(=O)[O-])[nH]1	ZINC000831643535	617077782	/nfs/dbraw/zinc/07/77/82/617077782.db2.gz	MEIVDFTTXNKZDU-ZETCQYMHSA-N	-1	0	284.341	0.546	20	30		CCEDRM
CO[N-]C(=O)CNC(=O)CSc1ccc(C#N)cc1	ZINC000832767223	617110265	/nfs/dbraw/zinc/11/02/65/617110265.db2.gz	ZAGWLUJBDZRBFJ-UHFFFAOYSA-N	-1	0	279.321	0.444	20	30		CCEDRM
CO[N-]C(=O)CNC(=O)[C@]1(C#N)CC12CCCC2	ZINC000832749485	617116079	/nfs/dbraw/zinc/11/60/79/617116079.db2.gz	VUFNQUZMBYAASI-GFCCVEGCSA-N	-1	0	251.286	0.254	20	30		CCEDRM
C[C@@H](O)CN(C)N=Cc1ccc(OCC(=O)[O-])cc1	ZINC000841656416	625556736	/nfs/dbraw/zinc/55/67/36/625556736.db2.gz	SHJYRIKEZAMCBK-SNVBAGLBSA-N	-1	0	266.297	0.797	20	30		CCEDRM
C#CCCNS(=O)(=O)c1ccc(C(=O)[O-])cc1OC	ZINC000223733774	622710020	/nfs/dbraw/zinc/71/00/20/622710020.db2.gz	SZZNBEQREBXNQF-UHFFFAOYSA-N	-1	0	283.305	0.695	20	30		CCEDRM
C=CCCOCCNC(=O)N1CCOC[C@@H]1C(=O)[O-]	ZINC000227477396	622967938	/nfs/dbraw/zinc/96/79/38/622967938.db2.gz	WPPGLKAZFHHFTI-SNVBAGLBSA-N	-1	0	272.301	0.074	20	30		CCEDRM
CC[C@@H](NN=C(C)CS(=O)(=O)CC)C(=O)[O-]	ZINC000309669618	623174487	/nfs/dbraw/zinc/17/44/87/623174487.db2.gz	JFXDSGZGYVHCKL-MRVPVSSYSA-N	-1	0	250.320	0.250	20	30		CCEDRM
Cc1n[nH]c(C(=O)N[C@@H](C)[C@H]2CCCN(CC#N)C2)c1[O-]	ZINC001025384165	623742028	/nfs/dbraw/zinc/74/20/28/623742028.db2.gz	AMWIRTBVFQTJMX-ONGXEEELSA-N	-1	0	291.355	0.778	20	30		CCEDRM
C#CC[N@H+](C)CCCNC(=O)CC(C)(C)CC(=O)[O-]	ZINC000328042787	623836818	/nfs/dbraw/zinc/83/68/18/623836818.db2.gz	XTNQEZAOGXREOU-UHFFFAOYSA-N	-1	0	268.357	0.949	20	30		CCEDRM
Cc1n[nH]c(C(=O)NC2C[C@H]3CC[C@@H](C2)N3CC#N)c1[O-]	ZINC001021232467	624683908	/nfs/dbraw/zinc/68/39/08/624683908.db2.gz	WRNWZPXUDAHQSV-FGWVZKOKSA-N	-1	0	289.339	0.673	20	30		CCEDRM
Cn1cc(/C=C\C(=O)c2ccccc2[O-])c(=O)n(C)c1=O	ZINC000255389746	624909559	/nfs/dbraw/zinc/90/95/59/624909559.db2.gz	HYWUUBJZCARKLG-FPLPWBNLSA-N	-1	0	286.287	0.686	20	30		CCEDRM
Cn1nc(C(=O)[O-])cc1C(=O)N1CCC[C@@H](C#N)C1	ZINC000902831942	634470389	/nfs/dbraw/zinc/47/03/89/634470389.db2.gz	PLUQJJPLTPSDCV-QMMMGPOBSA-N	-1	0	262.269	0.494	20	30		CCEDRM
N#CC[C@@H](NC(=O)C[C@@]1(C(=O)[O-])CCOC1)C(F)(F)F	ZINC000905130610	634805872	/nfs/dbraw/zinc/80/58/72/634805872.db2.gz	YBFXYMWCOIIFLH-XCBNKYQSSA-N	-1	0	294.229	0.829	20	30		CCEDRM
CCCCS(=O)(=O)[N-]C(=O)Cc1nc2ncccn2n1	ZINC000048518718	631729062	/nfs/dbraw/zinc/72/90/62/631729062.db2.gz	UQYVDMYSIGXDHA-UHFFFAOYSA-N	-1	0	297.340	0.753	20	30		CCEDRM
C#C[C@H](C)NS(=O)(=O)c1ccc(OCC(=O)[O-])cc1	ZINC000122976068	631888016	/nfs/dbraw/zinc/88/80/16/631888016.db2.gz	FRMNHVIGDIOEDO-VIFPVBQESA-N	-1	0	283.305	0.450	20	30		CCEDRM
Cn1cnc(/C=C/C(=O)c2cnc([O-])n(C)c2=O)c1	ZINC000798232193	632701242	/nfs/dbraw/zinc/70/12/42/632701242.db2.gz	YNNPALZADDUBJI-ONEGZZNKSA-N	-1	0	260.253	0.116	20	30		CCEDRM
N#Cc1cnc(N2CCOC[C@@H]2C(=O)[O-])c(F)c1	ZINC000900946691	634127363	/nfs/dbraw/zinc/12/73/63/634127363.db2.gz	SAPMGMABABYOAK-SECBINFHSA-N	-1	0	251.217	0.382	20	30		CCEDRM
C[C@H](O)CN(C)N=Cc1ccc(C(=O)[O-])c(O)c1	ZINC000901253060	634211797	/nfs/dbraw/zinc/21/17/97/634211797.db2.gz	WRZNZVCKARDLIZ-QMMMGPOBSA-N	-1	0	252.270	0.737	20	30		CCEDRM
N#CC1([N-]S(=O)(=O)N=S2(=O)CCCC2)CC1	ZINC000906059843	634954956	/nfs/dbraw/zinc/95/49/56/634954956.db2.gz	AEKAHYSVRQWTAK-UHFFFAOYSA-N	-1	0	263.344	0.139	20	30		CCEDRM
N#CC1(C(=O)N2CCO[C@@H](CC(=O)[O-])C2)CCSCC1	ZINC000907601708	635164571	/nfs/dbraw/zinc/16/45/71/635164571.db2.gz	PZZPWDIGQSNBAT-JTQLQIEISA-N	-1	0	298.364	0.725	20	30		CCEDRM
C#CCSCCNC(=O)N[C@H](CCF)C(=O)[O-]	ZINC000909052790	635504849	/nfs/dbraw/zinc/50/48/49/635504849.db2.gz	UFDLTVALSHCOFF-MRVPVSSYSA-N	-1	0	262.306	0.465	20	30		CCEDRM
C#Cc1cncc(C(=O)N2CC[C@H](C(=O)[O-])[C@H]2C)c1	ZINC000909810141	635620690	/nfs/dbraw/zinc/62/06/90/635620690.db2.gz	VOLYQJLCAWRPSE-SKDRFNHKSA-N	-1	0	258.277	0.998	20	30		CCEDRM
NC(=O)CCC/N=C/c1cc([N+](=O)[O-])ccc1[O-]	ZINC000044009604	635802410	/nfs/dbraw/zinc/80/24/10/635802410.db2.gz	AZINPVLDPYJMMU-NTUHNPAUSA-N	-1	0	251.242	0.985	20	30		CCEDRM
O=C([O-])c1ccccc1CCC(=O)NCC#CCO	ZINC000911401975	636254706	/nfs/dbraw/zinc/25/47/06/636254706.db2.gz	SEZVPYVOIRQBIW-UHFFFAOYSA-N	-1	0	261.277	0.429	20	30		CCEDRM
C#C[C@@H](CO)NC(=O)C12CCC(C(=O)[O-])(CC1)C2	ZINC000911612817	636303951	/nfs/dbraw/zinc/30/39/51/636303951.db2.gz	WOKMBNNLQGNONK-ALXWSUNGSA-N	-1	0	251.282	0.132	20	30		CCEDRM
CNC(=O)C(C#N)=C([O-])c1ccc(C(=O)NC2CC2)cc1	ZINC000156376822	636856236	/nfs/dbraw/zinc/85/62/36/636856236.db2.gz	WSOFDZHWKZRUQT-GFCCVEGCSA-N	-1	0	285.303	0.647	20	30		CCEDRM
C#CCOCCC(=O)[N-]S(=O)(=O)c1ccc(C)cc1	ZINC000165182633	636896120	/nfs/dbraw/zinc/89/61/20/636896120.db2.gz	PLWAHDWHCYCAKK-UHFFFAOYSA-N	-1	0	281.333	0.840	20	30		CCEDRM
COCCNC(=O)C(C#N)=C([O-])c1ccc(F)cc1	ZINC000193410716	637736048	/nfs/dbraw/zinc/73/60/48/637736048.db2.gz	LGMJYMREPCXDME-NSHDSACASA-N	-1	0	264.256	0.911	20	30		CCEDRM
N#Cc1c[n-]c(=O)n(C[C@H]2CC[C@H](C3CC3)O2)c1=O	ZINC000917859215	637991942	/nfs/dbraw/zinc/99/19/42/637991942.db2.gz	PVOFTSOKUHNYES-GHMZBOCLSA-N	-1	0	261.281	0.366	20	30		CCEDRM
CCCC[C@@H](NS(=O)(=O)c1cccnc1C#N)C(=O)[O-]	ZINC000233032645	638193728	/nfs/dbraw/zinc/19/37/28/638193728.db2.gz	FLZSMQINFRCAJD-SECBINFHSA-N	-1	0	297.336	0.875	20	30		CCEDRM
C[C@@H]1CN(C(=O)[C@@]2(C#N)CCCOC2)C[C@@]1(C)C(=O)[O-]	ZINC000923105251	640025228	/nfs/dbraw/zinc/02/52/28/640025228.db2.gz	PSJBCHAZALUIQY-LERXQTSPSA-N	-1	0	280.324	0.876	20	30		CCEDRM
Cc1oc(C#N)cc1C(=O)[N-]S(=O)(=O)C[C@H]1CCOC1	ZINC000797955618	640472297	/nfs/dbraw/zinc/47/22/97/640472297.db2.gz	VEJSRIGMIZWVTD-VIFPVBQESA-N	-1	0	298.320	0.556	20	30		CCEDRM
Cc1[nH]c(C=NN2CC(=O)N(C)C2=O)cc1C(=O)[O-]	ZINC000800814840	640621603	/nfs/dbraw/zinc/62/16/03/640621603.db2.gz	AWYIIPPPOGSXAX-UHFFFAOYSA-N	-1	0	264.241	0.249	20	30		CCEDRM
N#Cc1nc(F)ccc1OS(=O)(=O)c1cnc[n-]1	ZINC000808345522	640861517	/nfs/dbraw/zinc/86/15/17/640861517.db2.gz	BZCPWZLHAONXHD-UHFFFAOYSA-N	-1	0	268.229	0.583	20	30		CCEDRM
CC#CCS(=O)(=O)[N-]C(=O)c1cccc(OC(C)C)n1	ZINC000810776842	640949320	/nfs/dbraw/zinc/94/93/20/640949320.db2.gz	KQVLKJYBPDNJIY-UHFFFAOYSA-N	-1	0	296.348	0.952	20	30		CCEDRM
CC#CCS(=O)(=O)[N-]C(=O)c1sccc1COC	ZINC000810774311	640949523	/nfs/dbraw/zinc/94/95/23/640949523.db2.gz	HDXWDTKUQUFIDV-UHFFFAOYSA-N	-1	0	287.362	0.977	20	30		CCEDRM
C[C@@H](C(=O)[N-]S(=O)(=O)c1cncc(C#N)c1)C1CC1	ZINC000813981638	641051507	/nfs/dbraw/zinc/05/15/07/641051507.db2.gz	STWINONSFUKFEK-MRVPVSSYSA-N	-1	0	279.321	0.804	20	30		CCEDRM
N#Cc1cncc(S(=O)(=O)[N-]C(=O)COCC2CC2)c1	ZINC000813985025	641052281	/nfs/dbraw/zinc/05/22/81/641052281.db2.gz	KHOHEVFXZKALTG-UHFFFAOYSA-N	-1	0	295.320	0.185	20	30		CCEDRM
O=C1[N-]C(=O)C(=NNc2ccc(Cl)c(F)c2)C(=O)N1	ZINC000814222292	641060502	/nfs/dbraw/zinc/06/05/02/641060502.db2.gz	GITVAUNTLXQVPC-UHFFFAOYSA-N	-1	0	284.634	0.613	20	30		CCEDRM
O=c1[n-][nH]c(=O)n1N=Cc1cnc2ccccc2n1	ZINC000814231494	641060907	/nfs/dbraw/zinc/06/09/07/641060907.db2.gz	YOZPIFSNANIDKM-UHFFFAOYSA-N	-1	0	256.225	0.515	20	30		CCEDRM
Cc1nnc(NN=Cc2cnn(C)c2Cl)[n-]c1=O	ZINC000814734630	641075395	/nfs/dbraw/zinc/07/53/95/641075395.db2.gz	GEWYBLHMXGEEKE-UHFFFAOYSA-N	-1	0	267.680	0.719	20	30		CCEDRM
C[C@@H]1C[C@@H](C(=O)[O-])CCC1=NNCCS(C)(=O)=O	ZINC000814849429	641078546	/nfs/dbraw/zinc/07/85/46/641078546.db2.gz	VKDZFJGTUPSPQS-BDAKNGLRSA-N	-1	0	276.358	0.497	20	30		CCEDRM
C[C@@H]1C(=NNCC(N)=O)CC[C@H](C(=O)[O-])C1(C)C	ZINC000814904085	641081999	/nfs/dbraw/zinc/08/19/99/641081999.db2.gz	QQUAIAHYVBQUEB-HTQZYQBOSA-N	-1	0	255.318	0.574	20	30		CCEDRM
O=c1[n-][nH]c(=O)n1N=Cc1nc2c(s1)CCC2	ZINC000814939747	641083876	/nfs/dbraw/zinc/08/38/76/641083876.db2.gz	DBIZTOZLRKZEQY-UHFFFAOYSA-N	-1	0	251.271	0.517	20	30		CCEDRM
COc1nc2sccn2c1C=NNCC(=O)[O-]	ZINC000814958673	641084789	/nfs/dbraw/zinc/08/47/89/641084789.db2.gz	KDZVQLLKZQIUKL-UHFFFAOYSA-N	-1	0	254.271	0.413	20	30		CCEDRM
Cc1nn(C)c(C)c1C(=NNCC(=O)[O-])C(F)(F)F	ZINC000814960901	641084847	/nfs/dbraw/zinc/08/48/47/641084847.db2.gz	XMEOONWSIKVJKZ-UHFFFAOYSA-N	-1	0	278.234	0.978	20	30		CCEDRM
Cn1nncc1NN=Cc1ccc([N+](=O)[O-])c([O-])c1	ZINC000814980569	641087317	/nfs/dbraw/zinc/08/73/17/641087317.db2.gz	GCAQJOVVAKGMFU-UHFFFAOYSA-N	-1	0	262.229	0.875	20	30		CCEDRM
C=CCC(C)(C)C(=O)N1CCO[C@H](c2nnn[n-]2)C1	ZINC000815519775	641114268	/nfs/dbraw/zinc/11/42/68/641114268.db2.gz	HOQLIDUCXKTRIN-VIFPVBQESA-N	-1	0	265.317	0.702	20	30		CCEDRM
C[C@@H](C#N)CNC(=O)C(=O)Nc1ccccc1C(=O)[O-]	ZINC000819874744	641437858	/nfs/dbraw/zinc/43/78/58/641437858.db2.gz	QDTXURPOEUUSFW-QMMMGPOBSA-N	-1	0	275.264	0.599	20	30		CCEDRM
N#CCCS(=O)(=O)[N-]C(=O)c1ccccc1OCC#N	ZINC000821582721	641611083	/nfs/dbraw/zinc/61/10/83/641611083.db2.gz	VQZVWGLXGPZFDH-UHFFFAOYSA-N	-1	0	293.304	0.562	20	30		CCEDRM
Cn1cnc2cc(C(=O)[N-]S(=O)(=O)CCC#N)ccc21	ZINC000821583978	641611254	/nfs/dbraw/zinc/61/12/54/641611254.db2.gz	NGTMJHCLJIQLMA-UHFFFAOYSA-N	-1	0	292.320	0.547	20	30		CCEDRM
Cc1coc(C)c1C(=O)[N-]S(=O)(=O)CCC#N	ZINC000821582710	641611320	/nfs/dbraw/zinc/61/13/20/641611320.db2.gz	VOBHTTCTIKUBJD-UHFFFAOYSA-N	-1	0	256.283	0.870	20	30		CCEDRM
N#Cc1cn(CC(=O)N2CCC(F)(F)CC2)c(=O)[n-]c1=O	ZINC000822602415	641687388	/nfs/dbraw/zinc/68/73/88/641687388.db2.gz	ITLJYRIRYVLWQV-UHFFFAOYSA-N	-1	0	298.249	0.078	20	30		CCEDRM
C#CCO[C@@H](C)C(=O)[N-]S(=O)(=O)CCC(C)C	ZINC000835150250	642650352	/nfs/dbraw/zinc/65/03/52/642650352.db2.gz	OOGRSCJPZXUJLW-JTQLQIEISA-N	-1	0	261.343	0.517	20	30		CCEDRM
C[C@H]1Cc2cccc(C(=O)[N-]S(=O)(=O)CCC#N)c2O1	ZINC000835409791	642660798	/nfs/dbraw/zinc/66/07/98/642660798.db2.gz	MINUQDLTPXIELR-VIFPVBQESA-N	-1	0	294.332	0.983	20	30		CCEDRM
N#CCCS(=O)(=O)[N-]C(=O)c1ccc2c(n1)CCCC2	ZINC000835409839	642661090	/nfs/dbraw/zinc/66/10/90/642661090.db2.gz	ATYGPSJETJDGNA-UHFFFAOYSA-N	-1	0	293.348	0.934	20	30		CCEDRM
C[C@@H](O)CN(C)N=Cc1cc([O-])ccc1[N+](=O)[O-]	ZINC000841650698	642827264	/nfs/dbraw/zinc/82/72/64/642827264.db2.gz	LFDPTSHEJMNEQC-MRVPVSSYSA-N	-1	0	253.258	0.947	20	30		CCEDRM
CC#CCS(=O)(=O)[N-]C(=O)c1cnc2n1[C@@H](C)CCC2	ZINC000845545974	643327156	/nfs/dbraw/zinc/32/71/56/643327156.db2.gz	UMXZNCSHRICMOP-JTQLQIEISA-N	-1	0	295.364	0.863	20	30		CCEDRM
N#CCCc1cn(CC[N-]C(=O)C(F)(F)F)nn1	ZINC000849141450	643709962	/nfs/dbraw/zinc/70/99/62/643709962.db2.gz	XBVHZBZHHXIIJJ-UHFFFAOYSA-N	-1	0	261.207	0.413	20	30		CCEDRM
C[C@@H](CC#N)C(=O)[N-]S(=O)(=O)c1ccc(C#N)cc1	ZINC000850732810	643810170	/nfs/dbraw/zinc/81/01/70/643810170.db2.gz	DOSFBIITISJDMJ-VIFPVBQESA-N	-1	0	277.305	0.913	20	30		CCEDRM
C[C@@H](CC#N)C(=O)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])nc1	ZINC000850879627	643819743	/nfs/dbraw/zinc/81/97/43/643819743.db2.gz	UFGSGHCXYZGYBG-ZETCQYMHSA-N	-1	0	298.280	0.344	20	30		CCEDRM
CO[C@@H](C=Nn1c(=O)c(C)n[n-]c1=S)C1CC1	ZINC000853266787	644094863	/nfs/dbraw/zinc/09/48/63/644094863.db2.gz	RRSOGPDHLSNHGK-QMMMGPOBSA-N	-1	0	254.315	0.494	20	30		CCEDRM
O=c1[n-][nH]c(=O)n1N=Cc1ccc(O[C@H]2CCOC2)cc1	ZINC000853349432	644100537	/nfs/dbraw/zinc/10/05/37/644100537.db2.gz	YFSLZNRRUNLMOT-NSHDSACASA-N	-1	0	290.279	0.739	20	30		CCEDRM
N#CC(C(=O)N1CCCC1)=C([O-])c1ccc2nncn2c1	ZINC000113651691	644361727	/nfs/dbraw/zinc/36/17/27/644361727.db2.gz	YELJAOHBCZWGEZ-LLVKDONJSA-N	-1	0	283.291	0.674	20	30		CCEDRM
C[C@H]1C(=O)N(N=Cc2c[nH]c(C(=O)[O-])c2)C(=O)N1C	ZINC000857215762	644483016	/nfs/dbraw/zinc/48/30/16/644483016.db2.gz	FBRMYWOCTJRCLG-LURJTMIESA-N	-1	0	264.241	0.329	20	30		CCEDRM
N#CCCS(=O)(=O)[N-]C(=O)[C@@H]1CCCC12CC2	ZINC000860751538	644826185	/nfs/dbraw/zinc/82/61/85/644826185.db2.gz	FKGWJHARFPMYAQ-VIFPVBQESA-N	-1	0	256.327	0.926	20	30		CCEDRM
C[C@@H](CC(=O)[N-]S(=O)(=O)CCC#N)C(F)(F)F	ZINC000860751945	644826670	/nfs/dbraw/zinc/82/66/70/644826670.db2.gz	IGOGIMNPPNKXAY-LURJTMIESA-N	-1	0	272.248	0.935	20	30		CCEDRM
C[C@@H]1C[C@@H](C(=O)[O-])CCC1=Nn1ccc(=O)[nH]c1=O	ZINC000863182349	645067517	/nfs/dbraw/zinc/06/75/17/645067517.db2.gz	ITGHVDPOMOGYPZ-SFYZADRCSA-N	-1	0	265.269	0.674	20	30		CCEDRM
Cn1[n-]nnc1=NC1CCN(c2ccccc2C#N)CC1	ZINC000866044762	645470472	/nfs/dbraw/zinc/47/04/72/645470472.db2.gz	BFAVQKDRWHFXFA-UHFFFAOYSA-N	-1	0	283.339	0.585	20	30		CCEDRM
C[C@H](CC#N)NS(=O)(=O)N=S1(=O)CCCC1	ZINC000866673887	645569323	/nfs/dbraw/zinc/56/93/23/645569323.db2.gz	KWDAVUHPWWUGJV-MRVPVSSYSA-N	-1	0	265.360	0.385	20	30		CCEDRM
N#C[C@]1(C(=O)[N-]OCC(F)(F)F)CCCOC1	ZINC000866733487	645586139	/nfs/dbraw/zinc/58/61/39/645586139.db2.gz	RWVYFUBWXBIERA-MRVPVSSYSA-N	-1	0	252.192	0.917	20	30		CCEDRM
N#CC(C(=O)NC1CC1)=C([O-])c1ncc2n1CCCC2	ZINC000870143368	645964681	/nfs/dbraw/zinc/96/46/81/645964681.db2.gz	UKWORVPWMAPZNB-LLVKDONJSA-N	-1	0	272.308	0.820	20	30		CCEDRM
CS(=O)(=O)C1(C(=O)[N-]Oc2cccc(C#N)c2)CC1	ZINC000870691914	646017728	/nfs/dbraw/zinc/01/77/28/646017728.db2.gz	UAQYMWVLJPGTAT-UHFFFAOYSA-N	-1	0	280.305	0.545	20	30		CCEDRM
N#CCC1(CS(=O)(=O)N2CC[C@@H]3[C@H](C2)[C@H]3C(=O)[O-])CC1	ZINC000871776868	646181323	/nfs/dbraw/zinc/18/13/23/646181323.db2.gz	OEWNKDKMRFAJBJ-VWYCJHECSA-N	-1	0	298.364	0.663	20	30		CCEDRM
O=C([O-])C#CC1CCN(C(=O)O[C@@H]2CCOC2)CC1	ZINC000926484602	648506245	/nfs/dbraw/zinc/50/62/45/648506245.db2.gz	BDLLRLWSIJHNRE-LLVKDONJSA-N	-1	0	267.281	0.712	20	30		CCEDRM
COCCNC(=O)C(C#N)=C([O-])c1ccsc1	ZINC000193416182	649538046	/nfs/dbraw/zinc/53/80/46/649538046.db2.gz	PUIXVCOXEPTFFL-SECBINFHSA-N	-1	0	252.295	0.833	20	30		CCEDRM
CO[C@H](C)CC(=O)[N-]S(=O)(=O)Cc1cccc(C#N)c1	ZINC000195496968	649601649	/nfs/dbraw/zinc/60/16/49/649601649.db2.gz	YQISUPNSIOKOAK-SNVBAGLBSA-N	-1	0	296.348	0.929	20	30		CCEDRM
C=CCN(CC(=O)[O-])C(=O)[C@@H](C)NC(=O)C(C)(C)C	ZINC000092461846	649723798	/nfs/dbraw/zinc/72/37/98/649723798.db2.gz	DEQPFQZEGMSFQD-SECBINFHSA-N	-1	0	270.329	0.636	20	30		CCEDRM
C#CCN(CC)S(=O)(=O)c1scnc1C(=O)[O-]	ZINC000134729519	958858979	/nfs/dbraw/zinc/85/89/79/958858979.db2.gz	OUEVWTDRTXHCQE-UHFFFAOYSA-N	-1	0	274.323	0.485	20	30		CCEDRM
N#Cc1cccc(OC(=O)[C@H](O)CCC(=O)[O-])n1	ZINC001230038560	805578727	/nfs/dbraw/zinc/57/87/27/805578727.db2.gz	DTZKSHKNFZDPLX-MRVPVSSYSA-N	-1	0	250.210	0.084	20	30		CCEDRM
C#C[C@H](Oc1ncc(C(=O)OC)[n-]1)C(=O)OCC	ZINC001230282260	805592202	/nfs/dbraw/zinc/59/22/02/805592202.db2.gz	SSPROZNDWDXTGN-QMMMGPOBSA-N	-1	0	252.226	0.140	20	30		CCEDRM
N#C[C@H]1COCCN1Cc1cc(C(=O)[O-])ccc1O	ZINC001231566259	805818841	/nfs/dbraw/zinc/81/88/41/805818841.db2.gz	VPYMMYPJYNXCLQ-NSHDSACASA-N	-1	0	262.265	0.815	20	30		CCEDRM
N#Cc1ccc(CN2CCn3cnnc3C2)c(O)c1	ZINC001233383444	806052221	/nfs/dbraw/zinc/05/22/21/806052221.db2.gz	ICNYDEQVOIHEIA-UHFFFAOYSA-N	-1	0	255.281	0.871	20	30		CCEDRM
CNC(=O)N1CCN(Cc2ccc(C#N)cc2O)CC1	ZINC001233387394	806054114	/nfs/dbraw/zinc/05/41/14/806054114.db2.gz	HIAQUMXUXSOOSB-UHFFFAOYSA-N	-1	0	274.324	0.721	20	30		CCEDRM
CCOCCC(=O)[N-]S(=O)(=O)Cc1cccc(C#N)c1	ZINC000176123366	791354691	/nfs/dbraw/zinc/35/46/91/791354691.db2.gz	NEFVYRXBTFDOSZ-UHFFFAOYSA-N	-1	0	296.348	0.931	20	30		CCEDRM
N#Cc1cc(O)cc(OC(=O)[C@H](O)CC(=O)[O-])c1	ZINC001234140928	806188770	/nfs/dbraw/zinc/18/87/70/806188770.db2.gz	MAHPUTPFZPBEJT-SECBINFHSA-N	-1	0	251.194	0.005	20	30		CCEDRM
C=C(C)CN(C)c1nnc(-c2cnc[nH]c2=O)n1C	ZINC001121485808	799051158	/nfs/dbraw/zinc/05/11/58/799051158.db2.gz	YSTKQECPHJRKTE-UHFFFAOYSA-N	-1	0	260.301	0.990	20	30		CCEDRM
C=C(C)C[C@H](CO)NC(=O)N[C@H]1C[C@H](C(=O)[O-])C1	ZINC001121917261	799092970	/nfs/dbraw/zinc/09/29/70/799092970.db2.gz	IPIWBQMJGAGWNA-OPRDCNLKSA-N	-1	0	256.302	0.476	20	30		CCEDRM
C=C[C@@H]1OCC[C@H]1NC(=O)NC[C@@H](CC)C(=O)[O-]	ZINC001121918387	799093023	/nfs/dbraw/zinc/09/30/23/799093023.db2.gz	HJUXEXHEJTUMQO-BBBLOLIVSA-N	-1	0	256.302	0.740	20	30		CCEDRM
COCCn1cc(C([O-])=C(C#N)C(=O)N2CCCC2)cn1	ZINC001122516323	799254339	/nfs/dbraw/zinc/25/43/39/799254339.db2.gz	XCZBUMJLALHAOT-LBPRGKRZSA-N	-1	0	290.323	0.474	20	30		CCEDRM
C=CCNC(=O)C(C#N)=C([O-])c1cnn2c1nc(C)cc2C	ZINC001122624379	799276676	/nfs/dbraw/zinc/27/66/76/799276676.db2.gz	APYKQOKSNWQXEB-LLVKDONJSA-N	-1	0	297.318	0.971	20	30		CCEDRM
CNC(=O)C(C#N)=C([O-])c1cccc(N2CCOC2=O)c1	ZINC001122625050	799277605	/nfs/dbraw/zinc/27/76/05/799277605.db2.gz	LGOXFDWOTCYTAJ-NSHDSACASA-N	-1	0	287.275	0.712	20	30		CCEDRM
Cn1cc(CCC(=O)C(C#N)=C([O-])c2nccn2C)nn1	ZINC001122730585	799291292	/nfs/dbraw/zinc/29/12/92/799291292.db2.gz	JCURPJMNJQFGGV-SNVBAGLBSA-N	-1	0	286.295	0.073	20	30		CCEDRM
C=CCn1cc(C(=O)N2CC[C@@H]([C@@H](F)C(=O)[O-])C2)nn1	ZINC001123384541	799402548	/nfs/dbraw/zinc/40/25/48/799402548.db2.gz	MMRUETUQKNBJER-PSASIEDQSA-N	-1	0	282.275	0.349	20	30		CCEDRM
C=CCC[C@H](CO)NC(=O)c1c(C)[nH]c(=O)[nH]c1=S	ZINC001123897563	799497144	/nfs/dbraw/zinc/49/71/44/799497144.db2.gz	GRLWQDOKKALFNU-MRVPVSSYSA-N	-1	0	283.353	0.836	20	30		CCEDRM
C=CCC[C@@H](CO)NC(=O)c1c(C)[nH]c(=O)[nH]c1=S	ZINC001123897565	799497595	/nfs/dbraw/zinc/49/75/95/799497595.db2.gz	GRLWQDOKKALFNU-QMMMGPOBSA-N	-1	0	283.353	0.836	20	30		CCEDRM
C=CCO[N-]C(=O)CSCC(=O)Nc1cc(C)on1	ZINC001140879380	799956248	/nfs/dbraw/zinc/95/62/48/799956248.db2.gz	DMQYUBDBICUYDJ-UHFFFAOYSA-N	-1	0	285.325	0.889	20	30		CCEDRM
C#CC[C@H](NC(=O)c1s[n-]c(=O)c1Cl)C(=O)OC	ZINC001141998168	800055282	/nfs/dbraw/zinc/05/52/82/800055282.db2.gz	JYIDNVVTDCHAAN-YFKPBYRVSA-N	-1	0	288.712	0.797	20	30		CCEDRM
C=CCCO[N-]C(=O)Cn1nnnc1-c1ccccc1	ZINC001149451669	800265562	/nfs/dbraw/zinc/26/55/62/800265562.db2.gz	DJNAGRFZJQBCDP-UHFFFAOYSA-N	-1	0	273.296	0.964	20	30		CCEDRM
Cn1[n-]c(C(=O)Nc2cc(CC#N)ccn2)cc1=O	ZINC001149720922	800294847	/nfs/dbraw/zinc/29/48/47/800294847.db2.gz	QDSJKLUJONYDGX-UHFFFAOYSA-N	-1	0	257.253	0.839	20	30		CCEDRM
CC(C)CN(Cc1nnn[n-]1)C(=O)CC1(C#N)CC1	ZINC001153811334	800670163	/nfs/dbraw/zinc/67/01/63/800670163.db2.gz	IEOREGZTEAUKBY-UHFFFAOYSA-N	-1	0	262.317	0.878	20	30		CCEDRM
N#Cc1c[nH]c2ncnc(NCC[N-]C(=O)C(F)(F)F)c12	ZINC001156197448	801127576	/nfs/dbraw/zinc/12/75/76/801127576.db2.gz	XUVQJRGSSGPRLH-UHFFFAOYSA-N	-1	0	298.228	0.920	20	30		CCEDRM
CC(C)(C)[C@@H](C#N)NC(=O)c1cccc(-n2[n-]nnc2=N)c1	ZINC001157016874	801287676	/nfs/dbraw/zinc/28/76/76/801287676.db2.gz	FZUTVWSBPCHMDP-LLVKDONJSA-N	-1	0	299.338	0.743	20	30		CCEDRM
C=CCO[N-]C(=O)c1cnc2sccn2c1=O	ZINC001158208846	801595995	/nfs/dbraw/zinc/59/59/95/801595995.db2.gz	SRJMGOXNILTDJD-UHFFFAOYSA-N	-1	0	251.267	0.603	20	30		CCEDRM
N#Cc1cc([N+](=O)[O-])cnc1[N-]c1nccnc1CN	ZINC001160245919	801922294	/nfs/dbraw/zinc/92/22/94/801922294.db2.gz	JFQGWLQFOJNCLA-UHFFFAOYSA-N	-1	0	271.240	0.854	20	30		CCEDRM
Cc1n[nH]cc1CCCNc1[n-]c(=O)n(C)c(=O)c1C#N	ZINC001162078944	802271451	/nfs/dbraw/zinc/27/14/51/802271451.db2.gz	QLAMSUGQDVMGJM-UHFFFAOYSA-N	-1	0	288.311	0.022	20	30		CCEDRM
Cc1nc(C#N)c([N-]S(=O)(=O)C2CCOCC2)o1	ZINC001259908649	808797635	/nfs/dbraw/zinc/79/76/35/808797635.db2.gz	YXXSEBQMHWIFPD-UHFFFAOYSA-N	-1	0	271.298	0.775	20	30		CCEDRM
C=CCS(=O)(=O)[N-]c1nnc(C(F)(F)F)n1C	ZINC001259922132	808803941	/nfs/dbraw/zinc/80/39/41/808803941.db2.gz	MBPLCYQIJARCKR-UHFFFAOYSA-N	-1	0	270.236	0.762	20	30		CCEDRM
C=C[C@@H](C)O[N-]C(=O)CNC(=O)c1ccc(C#N)cc1	ZINC001164415254	802738472	/nfs/dbraw/zinc/73/84/72/802738472.db2.gz	ZMDNRSSWFYBPJV-SNVBAGLBSA-N	-1	0	273.292	0.910	20	30		CCEDRM
C#CCO[N-]C(=O)CNC(=O)NCc1ccc(Cl)cc1	ZINC001166328330	802900136	/nfs/dbraw/zinc/90/01/36/802900136.db2.gz	NSBWDWMRVOWPEA-UHFFFAOYSA-N	-1	0	295.726	0.820	20	30		CCEDRM
N#Cc1cccc(NC(=O)NCc2n[nH]c(=O)[n-]2)n1	ZINC001206772681	803283441	/nfs/dbraw/zinc/28/34/41/803283441.db2.gz	AIOVPFWBQWEXNU-UHFFFAOYSA-N	-1	0	259.229	0.099	20	30		CCEDRM
CN1CCC12CN(C(=O)CCC(=O)C1=CC=C[CH]1)C2	ZINC001272093818	814972870	/nfs/dbraw/zinc/97/28/70/814972870.db2.gz	NQVFHIFZPOJUFU-UHFFFAOYSA-N	-1	0	259.329	0.953	20	30		CCEDRM
C#CCN(CC#CC)S(=O)(=O)[C@H]1CCCC[C@H]1C(=O)[O-]	ZINC001465111313	804114827	/nfs/dbraw/zinc/11/48/27/804114827.db2.gz	VSSSVNOGFYNFLX-OLZOCXBDSA-N	-1	0	297.376	0.918	20	30		CCEDRM
C=CCC[C@@H](NC(=O)c1ccc(=O)[nH]c1)C(=O)[O-]	ZINC000316552758	804709490	/nfs/dbraw/zinc/70/94/90/804709490.db2.gz	DOWFKGSSHWHYIL-SECBINFHSA-N	-1	0	250.254	0.936	20	30		CCEDRM
C=CCC[C@@H](NC(=O)/C=C/c1cnn(C)c1)C(=O)[O-]	ZINC000316559138	804710444	/nfs/dbraw/zinc/71/04/44/804710444.db2.gz	ZIMWYKZFZCGKTE-XUIVZRPNSA-N	-1	0	263.297	0.969	20	30		CCEDRM
C=CCOC[C@H](CS(=O)(=O)[O-])OCc1nnc(C)o1	ZINC001222251407	804886846	/nfs/dbraw/zinc/88/68/46/804886846.db2.gz	YSNUPCPWCBEDRY-SECBINFHSA-N	-1	0	292.313	0.354	20	30		CCEDRM
C=CCOC[C@H](CS(=O)(=O)[O-])OCc1cnco1	ZINC001223170750	804957871	/nfs/dbraw/zinc/95/78/71/804957871.db2.gz	WXQCRUMLCZBETJ-SNVBAGLBSA-N	-1	0	277.298	0.650	20	30		CCEDRM
N#Cc1ccc(CCOC(=O)[C@H](O)CCC(=O)[O-])cc1	ZINC001224653953	805067065	/nfs/dbraw/zinc/06/70/65/805067065.db2.gz	FGBJTIRDCLANDG-GFCCVEGCSA-N	-1	0	277.276	0.870	20	30		CCEDRM
C=CCOC[C@H](CS(=O)(=O)[O-])OCCCF	ZINC001225157370	805110297	/nfs/dbraw/zinc/11/02/97/805110297.db2.gz	GUGDHOWHHIEAJI-SECBINFHSA-N	-1	0	256.295	0.822	20	30		CCEDRM
COc1cc(C#N)ccc1OC(=O)[C@H](O)CCC(=O)[O-]	ZINC001225193515	805113808	/nfs/dbraw/zinc/11/38/08/805113808.db2.gz	NAFXGFOJIKNOOY-SECBINFHSA-N	-1	0	279.248	0.698	20	30		CCEDRM
CCC1=C(Oc2nc(C(=O)OC)cc(=O)[n-]2)C(=O)[C@@H](C)O1	ZINC001225735812	805156503	/nfs/dbraw/zinc/15/65/03/805156503.db2.gz	XVZZDCJPJYXFGY-ZCFIWIBFSA-N	-1	0	294.263	0.957	20	30		CCEDRM
N#Cc1cc(F)c(=O)[n-]c1OC1CCS(=O)(=O)CC1	ZINC001226013101	805185755	/nfs/dbraw/zinc/18/57/55/805185755.db2.gz	KDKFHYVGMXWRTD-UHFFFAOYSA-N	-1	0	286.284	0.754	20	30		CCEDRM
Cc1cc(=O)[n-]c(OC[C@@H]2CN(C)CCO2)c1C#N	ZINC001226222849	805206580	/nfs/dbraw/zinc/20/65/80/805206580.db2.gz	IJXLNWGEZTYRCZ-JTQLQIEISA-N	-1	0	263.297	0.677	20	30		CCEDRM
C=C[C@@H](C)Oc1nc(=O)[n-]c(C(=O)OC)c1[N+](=O)[O-]	ZINC001226652637	805261957	/nfs/dbraw/zinc/26/19/57/805261957.db2.gz	NBTDRUNLVZLOJS-RXMQYKEDSA-N	-1	0	269.213	0.830	20	30		CCEDRM
CC[C@@H](C#CC(=O)OC)Oc1[n-]c(=O)nc2cnccc21	ZINC001226976510	805301117	/nfs/dbraw/zinc/30/11/17/805301117.db2.gz	PHKHMPYXJJNMGB-VIFPVBQESA-N	-1	0	287.275	0.652	20	30		CCEDRM
CC[C@H](C#CC(=O)OC)Oc1[n-]c(=S)nnc1C	ZINC001227599884	805370624	/nfs/dbraw/zinc/37/06/24/805370624.db2.gz	BALMGLBSWGMXFU-MRVPVSSYSA-N	-1	0	267.310	0.803	20	30		CCEDRM
C[C@@H]1OCc2c1[n-]c(=O)nc2O[C@H]1CCN(CC#N)C1	ZINC001227713328	805381456	/nfs/dbraw/zinc/38/14/56/805381456.db2.gz	NLWMCBRQHKOJJU-IUCAKERBSA-N	-1	0	276.296	0.750	20	30		CCEDRM
C=C[C@@H]1O[C@H](Oc2nc(O)cc(=O)[n-]2)[C@H]2OC(C)(C)O[C@@H]12	ZINC001228390238	805442191	/nfs/dbraw/zinc/44/21/91/805442191.db2.gz	FHRYGPBTQLXDNH-WBAWJMECSA-N	-1	0	296.279	0.698	20	30		CCEDRM
C=C[C@H](Oc1[n-]c(=O)nc2ncn(C)c21)C(=O)OC	ZINC001228674408	805467027	/nfs/dbraw/zinc/46/70/27/805467027.db2.gz	NEWHCWUOLWDHLX-LURJTMIESA-N	-1	0	264.241	0.175	20	30		CCEDRM
COc1cc(=O)[n-]c(O[C@H]2CCN(CC#N)C2)n1	ZINC001228919012	805490245	/nfs/dbraw/zinc/49/02/45/805490245.db2.gz	UCOFLACSUIGDEN-QMMMGPOBSA-N	-1	0	250.258	0.167	20	30		CCEDRM
COc1cc(=O)[n-]c(OC2CN(CCC#N)C2)n1	ZINC001228919038	805490319	/nfs/dbraw/zinc/49/03/19/805490319.db2.gz	ULTAPYVJFLSBAW-UHFFFAOYSA-N	-1	0	250.258	0.167	20	30		CCEDRM
CCCS(=O)(=O)N[C@@H](CS)C(=O)OCC	ZINC001253721206	808128441	/nfs/dbraw/zinc/12/84/41/808128441.db2.gz	NUNDRGHJUABJIS-ZETCQYMHSA-N	-1	0	255.361	0.177	20	30		CCEDRM
C#CCCCCc1cn(CCOCC(=O)[O-])nn1	ZINC001254089341	808179263	/nfs/dbraw/zinc/17/92/63/808179263.db2.gz	FITSYKQWGQMRKB-UHFFFAOYSA-N	-1	0	251.286	0.725	20	30		CCEDRM
COC(=O)CS(=O)(=O)[N-]c1cc(F)cc(F)c1C#N	ZINC001259026728	808723634	/nfs/dbraw/zinc/72/36/34/808723634.db2.gz	AFRTVLOLFIVKBQ-UHFFFAOYSA-N	-1	0	290.247	0.751	20	30		CCEDRM
C#Cc1cc([N-]S(=O)(=O)c2ccccn2)ccn1	ZINC001259282662	808748858	/nfs/dbraw/zinc/74/88/58/808748858.db2.gz	VELVTKFUPISBNH-UHFFFAOYSA-N	-1	0	259.290	0.681	20	30		CCEDRM
C#Cc1cc([N-]S(=O)(=O)c2cnn(C)c2)ccn1	ZINC001259820351	808775726	/nfs/dbraw/zinc/77/57/26/808775726.db2.gz	NYWJPZSFFFPDNL-UHFFFAOYSA-N	-1	0	262.294	0.019	20	30		CCEDRM
Cn1cc(S(=O)(=O)[N-]c2cnccc2C#N)cn1	ZINC001259820777	808776106	/nfs/dbraw/zinc/77/61/06/808776106.db2.gz	PLNGOJDPGQJZBJ-UHFFFAOYSA-N	-1	0	263.282	0.488	20	30		CCEDRM
N#Cc1ccncc1[N-]S(=O)(=O)C1CCOCC1	ZINC001259907774	808796225	/nfs/dbraw/zinc/79/62/25/808796225.db2.gz	DKHWEHDIARWWJT-UHFFFAOYSA-N	-1	0	267.310	0.874	20	30		CCEDRM
N#Cc1cnc2ccnn2c1[N-]S(=O)(=O)C(F)F	ZINC001259950351	808819211	/nfs/dbraw/zinc/81/92/11/808819211.db2.gz	PNCMNQWNEIEYFW-UHFFFAOYSA-N	-1	0	273.224	0.565	20	30		CCEDRM
C[C@H](C#N)N(C)S(=O)(=O)c1cccc(C(=O)[O-])c1	ZINC001260188714	808856540	/nfs/dbraw/zinc/85/65/40/808856540.db2.gz	PIPIZHQOWWOOHJ-MRVPVSSYSA-N	-1	0	268.294	0.917	20	30		CCEDRM
Cc1nc(C#N)c([N-]S(=O)(=O)c2c(C)n[nH]c2C)o1	ZINC001261023636	808897832	/nfs/dbraw/zinc/89/78/32/808897832.db2.gz	DGTAXENQBFOMPY-UHFFFAOYSA-N	-1	0	281.297	0.995	20	30		CCEDRM
Cc1n[nH]c(C)c1S(=O)(=O)[N-]c1ncn(C)c1C#N	ZINC001261024399	808899206	/nfs/dbraw/zinc/89/92/06/808899206.db2.gz	WKPNEFCAKBDHAU-UHFFFAOYSA-N	-1	0	280.313	0.433	20	30		CCEDRM
C=CC[C@H](NC(=O)CCCn1cccn1)C(=O)[O-]	ZINC001262176946	809222684	/nfs/dbraw/zinc/22/26/84/809222684.db2.gz	FCGGTYWQCPBQAJ-JTQLQIEISA-N	-1	0	251.286	0.809	20	30		CCEDRM
C#CC[C@H](NC(=O)[C@@H]1CCN(CC(F)(F)F)C1)C(=O)[O-]	ZINC001262178032	809224099	/nfs/dbraw/zinc/22/40/99/809224099.db2.gz	OHEPDAWQORRZEJ-BDAKNGLRSA-N	-1	0	292.257	0.463	20	30		CCEDRM
C[C@@H]1CN(c2[n-]c(=O)n(C)c(=O)c2C#N)C(C)(C)C1	ZINC001262685542	809394182	/nfs/dbraw/zinc/39/41/82/809394182.db2.gz	FJKJDWHRJNHXAT-QMMMGPOBSA-N	-1	0	262.313	0.570	20	30		CCEDRM
COC(=O)c1cc(C([O-])=C(C#N)C(=O)N2CCCC2)on1	ZINC001263292606	809504010	/nfs/dbraw/zinc/50/40/10/809504010.db2.gz	MOQWSWTUMKKVKS-MRVPVSSYSA-N	-1	0	291.263	0.406	20	30		CCEDRM
CNC(=O)C(C#N)=C([O-])c1ccc(N2CCOC2=O)cc1	ZINC001263375219	809513699	/nfs/dbraw/zinc/51/36/99/809513699.db2.gz	IPACINIYDMRVKD-NSHDSACASA-N	-1	0	287.275	0.712	20	30		CCEDRM
C=C(Cl)CNS(=O)(=O)N1CCC[C@H](C(=O)[O-])C1	ZINC000160971774	815441218	/nfs/dbraw/zinc/44/12/18/815441218.db2.gz	ONDBGNNYWOFNAC-QMMMGPOBSA-N	-1	0	282.749	0.370	20	30		CCEDRM
N#CC(C(=O)NC1CC1)=C([O-])c1cccc(-n2cnnn2)c1	ZINC000129186320	815554755	/nfs/dbraw/zinc/55/47/55/815554755.db2.gz	PCJPQTISTVBDIG-GFCCVEGCSA-N	-1	0	296.290	0.263	20	30		CCEDRM
C#C[C@@H](Oc1c([O-])c(=O)c(=O)c1=O)[C@H](CC)CCCC	ZINC001225831496	813622142	/nfs/dbraw/zinc/62/21/42/813622142.db2.gz	WBSDHFNDPNNCAD-NXEZZACHSA-N	-1	0	278.304	0.945	20	30		CCEDRM
C=CCN(CC(=O)[O-])C(=O)c1c(Cl)cnn1C	ZINC000696501507	813960091	/nfs/dbraw/zinc/96/00/91/813960091.db2.gz	ABNAYHBUBCOHEO-UHFFFAOYSA-N	-1	0	257.677	0.786	20	30		CCEDRM
C#CCN(C)S(=O)(=O)c1cc(C(=O)[O-])ccc1C	ZINC000125869306	813990529	/nfs/dbraw/zinc/99/05/29/813990529.db2.gz	SIAVTIUCIIZAKV-UHFFFAOYSA-N	-1	0	267.306	0.947	20	30		CCEDRM
N#CCCNC(=O)c1c[nH]c2nc(=O)[n-]c(=O)c-2c1	ZINC000349547113	815875396	/nfs/dbraw/zinc/87/53/96/815875396.db2.gz	ZIYBHIGVHLMNKK-UHFFFAOYSA-N	-1	0	259.225	0.079	20	30		CCEDRM
CC(C)NC(=O)C(C#N)=C([O-])c1cccc(-n2cnnn2)c1	ZINC000130633442	817131849	/nfs/dbraw/zinc/13/18/49/817131849.db2.gz	QSARVQDIUBXVKX-GFCCVEGCSA-N	-1	0	298.306	0.509	20	30		CCEDRM
N#CCCNS(=O)(=O)c1cc(F)cc(C(=O)[O-])c1	ZINC000447147826	817519438	/nfs/dbraw/zinc/51/94/38/817519438.db2.gz	STNOMESKUGQRLZ-UHFFFAOYSA-N	-1	0	272.257	0.716	20	30		CCEDRM
CNC(=O)C(C#N)=C([O-])c1ccc(OC)c(OC)c1	ZINC000133200209	818233083	/nfs/dbraw/zinc/23/30/83/818233083.db2.gz	ZWWBRKTWYALNPK-SECBINFHSA-N	-1	0	262.265	0.772	20	30		CCEDRM
COC(=O)CSCCC(=O)Nc1nc(C#N)c(C#N)[n-]1	ZINC001163736486	820293396	/nfs/dbraw/zinc/29/33/96/820293396.db2.gz	AAXBVAFJAIZOBA-UHFFFAOYSA-N	-1	0	293.308	0.388	20	30		CCEDRM
C=CCCn1cc(CN2C[C@@H](C)O[C@H](C(=O)[O-])C2)nn1	ZINC001119598131	821387022	/nfs/dbraw/zinc/38/70/22/821387022.db2.gz	MNTINUKCRJAHNU-PWSUYJOCSA-N	-1	0	280.328	0.528	20	30		CCEDRM
N#CC1(CS(=O)(=O)[N-]C(=O)C[C@@H]2CCCO2)CC1	ZINC000793200422	837399407	/nfs/dbraw/zinc/39/94/07/837399407.db2.gz	BBQQYPQRCACLSE-VIFPVBQESA-N	-1	0	272.326	0.305	20	30		CCEDRM
C=CCONC(=O)c1ccc(-c2nc(=O)o[n-]2)cc1	ZINC001183469772	844022715	/nfs/dbraw/zinc/02/27/15/844022715.db2.gz	RWSLFUSJSMFMIY-UHFFFAOYSA-N	-1	0	261.237	0.877	20	30		CCEDRM
C#CCNC(=O)COc1ccc(OCC(=O)[O-])cc1	ZINC001183909915	844119194	/nfs/dbraw/zinc/11/91/94/844119194.db2.gz	LJOWCMQVWFLJMN-UHFFFAOYSA-N	-1	0	263.249	0.278	20	30		CCEDRM
NC(=O)c1n[nH]cc1NC(=O)CCC(=O)C1=CC=C[CH]1	ZINC001184240609	844186325	/nfs/dbraw/zinc/18/63/25/844186325.db2.gz	CLJYFQSRIWYJMR-UHFFFAOYSA-N	-1	0	273.272	0.497	20	30		CCEDRM
O=C(CCC(=O)C1=CC=C[CH]1)N[C@H]1CCS(=O)(=O)C1	ZINC001184244718	844187763	/nfs/dbraw/zinc/18/77/63/844187763.db2.gz	UCCITKSPCOVNSV-NSHDSACASA-N	-1	0	282.341	0.339	20	30		CCEDRM
CC#CCCCC(=O)N1CCN(Cc2n[nH]c(=O)[n-]2)CC1	ZINC001113226350	837063363	/nfs/dbraw/zinc/06/33/63/837063363.db2.gz	YNGFJSWWBOAXIO-UHFFFAOYSA-N	-1	0	291.355	0.348	20	30		CCEDRM
C=CCCCC(=O)N1CCN(Cc2n[nH]c(=O)[n-]2)CC1	ZINC001113282159	837074769	/nfs/dbraw/zinc/07/47/69/837074769.db2.gz	NXSZJYFSTFTHHY-UHFFFAOYSA-N	-1	0	279.344	0.511	20	30		CCEDRM
COc1ccc(S(=O)(=O)NC2(C#N)CC2)cc1C(=O)[O-]	ZINC001185320337	844396193	/nfs/dbraw/zinc/39/61/93/844396193.db2.gz	JXQTWKGUXCWONO-UHFFFAOYSA-N	-1	0	296.304	0.728	20	30		CCEDRM
C#Cc1nccnc1[N-]S(=O)(=O)CCOCC	ZINC001187244031	844677189	/nfs/dbraw/zinc/67/71/89/844677189.db2.gz	WDSSDNAVGAGDNR-UHFFFAOYSA-N	-1	0	255.299	0.236	20	30		CCEDRM
Cc1n[nH]c(C(=O)NCC2CC(NCC#N)C2)c1[O-]	ZINC001090985956	839939665	/nfs/dbraw/zinc/93/96/65/839939665.db2.gz	JOWYKOKRMXPRFR-UHFFFAOYSA-N	-1	0	263.301	0.045	20	30		CCEDRM
C#Cc1nccnc1[N-]S(=O)(=O)c1cnoc1C	ZINC001187329689	844695027	/nfs/dbraw/zinc/69/50/27/844695027.db2.gz	UNCZSNWCAYSDQW-UHFFFAOYSA-N	-1	0	264.266	0.555	20	30		CCEDRM
Cn1ncnc1C(=O)Nc1cc(C#N)c(F)cc1[O-]	ZINC001146998792	840440727	/nfs/dbraw/zinc/44/07/27/840440727.db2.gz	SGLXNNGUFYDDIL-UHFFFAOYSA-N	-1	0	261.216	0.784	20	30		CCEDRM
C=CC(C)(C)CCNC(=O)Cn1cc(C#N)c(=O)[n-]c1=O	ZINC001148727989	840884345	/nfs/dbraw/zinc/88/43/45/840884345.db2.gz	ZHRHLEMEGQUDCC-UHFFFAOYSA-N	-1	0	290.323	0.539	20	30		CCEDRM
Cn1cc(NC(=O)c2ccn(C)c2CC(=O)[O-])c(C#N)n1	ZINC001177362923	842565748	/nfs/dbraw/zinc/56/57/48/842565748.db2.gz	CSECMPQPSLHPKZ-UHFFFAOYSA-N	-1	0	287.279	0.510	20	30		CCEDRM
N#C[C@H](NC(=O)Cn1nn[n-]c1=S)c1ccccc1	ZINC001177736017	842662010	/nfs/dbraw/zinc/66/20/10/842662010.db2.gz	VJWQBPCRVNSKCB-VIFPVBQESA-N	-1	0	274.309	0.343	20	30		CCEDRM
C#Cc1ccc(NC(=O)Cn2nn[n-]c2=S)cc1F	ZINC001177740778	842664837	/nfs/dbraw/zinc/66/48/37/842664837.db2.gz	CYDHJDFMDQBXJK-UHFFFAOYSA-N	-1	0	277.284	0.721	20	30		CCEDRM
CCc1ccc(C#CC(=O)N[C@@H](COC)c2nnn[n-]2)cc1	ZINC001177828701	842674595	/nfs/dbraw/zinc/67/45/95/842674595.db2.gz	PPMGEHHMEZYWER-ZDUSSCGKSA-N	-1	0	299.334	0.618	20	30		CCEDRM
CC(C#N)=C([O-])n1oc(=O)nc1-c1ccc(N)cc1	ZINC001179893450	843067862	/nfs/dbraw/zinc/06/78/62/843067862.db2.gz	BWMZMIRKJNJPSZ-SSDOTTSWSA-N	-1	0	258.237	0.885	20	30		CCEDRM
N#Cc1ccnnc1NC(=O)C(F)(F)C(F)(F)C(=O)[O-]	ZINC001180170959	843114591	/nfs/dbraw/zinc/11/45/91/843114591.db2.gz	PDKXHSZDCHRDQM-UHFFFAOYSA-N	-1	0	292.148	0.642	20	30		CCEDRM
CN1CCO[C@H](C(=O)Nc2cc(C#N)c(F)cc2[O-])C1	ZINC001180759991	843283874	/nfs/dbraw/zinc/28/38/74/843283874.db2.gz	DRCBZQVIAGXWGJ-LBPRGKRZSA-N	-1	0	279.271	0.672	20	30		CCEDRM
N#Cc1cccc(CCC(=O)NCc2nnn[n-]2)c1	ZINC001182341456	843774742	/nfs/dbraw/zinc/77/47/42/843774742.db2.gz	NCHMDTPKSQPQJY-UHFFFAOYSA-N	-1	0	256.269	0.320	20	30		CCEDRM
N#Cc1cccc2[nH]cc(CC(=O)NCc3n[nH]c(=O)[n-]3)c21	ZINC001182583580	843865699	/nfs/dbraw/zinc/86/56/99/843865699.db2.gz	QGPIOFUBYNOXOH-UHFFFAOYSA-N	-1	0	296.290	0.722	20	30		CCEDRM
Cc1oncc1S(=O)(=O)[N-]c1cn(C)nc1C#N	ZINC001187338070	844699113	/nfs/dbraw/zinc/69/91/13/844699113.db2.gz	QQJPBCMYLFNOOB-UHFFFAOYSA-N	-1	0	267.270	0.389	20	30		CCEDRM
Cc1nc(C#N)c([N-]S(=O)(=O)c2c[nH]cn2)o1	ZINC001187731309	844752869	/nfs/dbraw/zinc/75/28/69/844752869.db2.gz	YOTZJYWODNEVDI-UHFFFAOYSA-N	-1	0	253.243	0.379	20	30		CCEDRM
C=C[C@H](C)NS(=O)(=O)c1cc(C(=O)OC)[nH]n1	ZINC001188165892	844841133	/nfs/dbraw/zinc/84/11/33/844841133.db2.gz	WTPYJGBFLGBJQT-LURJTMIESA-N	-1	0	259.287	0.049	20	30		CCEDRM
CC(C)[C@H](CO)NS(=O)(=O)c1cc(C#N)ccc1F	ZINC001190608349	845444055	/nfs/dbraw/zinc/44/40/55/845444055.db2.gz	OMOYDAGTLXYBLL-NSHDSACASA-N	-1	0	286.328	0.993	20	30		CCEDRM
C=CCC1(S(=O)(=O)[N-]c2nccnc2C(N)=O)CC1	ZINC001190773369	845494404	/nfs/dbraw/zinc/49/44/04/845494404.db2.gz	WTBBDKWLJZDZGV-UHFFFAOYSA-N	-1	0	282.325	0.426	20	30		CCEDRM
Cc1ncc(C(=O)NCc2n[nH]c(=O)[n-]2)cc1C#N	ZINC001192299657	845809076	/nfs/dbraw/zinc/80/90/76/845809076.db2.gz	BQKQQFROSVYSRK-UHFFFAOYSA-N	-1	0	258.241	0.015	20	30		CCEDRM
N=C(c1nonc1N)N(O)C(=O)c1ccc([O-])c(F)c1F	ZINC001192827473	845915830	/nfs/dbraw/zinc/91/58/30/845915830.db2.gz	JVRGYRQCUNIWED-UHFFFAOYSA-N	-1	0	299.193	0.493	20	30		CCEDRM
N#CCS(=O)(=O)[N-]c1ccnn1Br	ZINC001192950825	845933199	/nfs/dbraw/zinc/93/31/99/845933199.db2.gz	CXLMQVUQNDLCND-UHFFFAOYSA-N	-1	0	265.092	0.306	20	30		CCEDRM
CC(=O)Nc1cc([N-]S(=O)(=O)CC#N)ccn1	ZINC001192939056	845943820	/nfs/dbraw/zinc/94/38/20/845943820.db2.gz	KZOOTSFTPKVWGO-UHFFFAOYSA-N	-1	0	254.271	0.305	20	30		CCEDRM
N#CCS(=O)(=O)[N-]c1cccc2c1CNC(=O)N2	ZINC001192985993	845945479	/nfs/dbraw/zinc/94/54/79/845945479.db2.gz	SNVWRCUOTBKCFQ-UHFFFAOYSA-N	-1	0	266.282	0.587	20	30		CCEDRM
CCOC(=O)[C@@H](CC(C)C)NS(=O)(=O)CC#N	ZINC001192988013	845946215	/nfs/dbraw/zinc/94/62/15/845946215.db2.gz	MRUVOVGBKZEBDS-SECBINFHSA-N	-1	0	262.331	0.407	20	30		CCEDRM
CNC(=O)c1ccccc1[N-]S(=O)(=O)CC#N	ZINC001192979021	845961269	/nfs/dbraw/zinc/96/12/69/845961269.db2.gz	UKYOCIAVFZXQGT-UHFFFAOYSA-N	-1	0	253.283	0.311	20	30		CCEDRM
COC(=O)Cc1ccc(OC)c([N-]S(=O)(=O)CC#N)c1	ZINC001192978737	845961846	/nfs/dbraw/zinc/96/18/46/845961846.db2.gz	CYZCXAKRBOEIAZ-UHFFFAOYSA-N	-1	0	298.320	0.676	20	30		CCEDRM
C[C@H](C#N)S(=O)(=O)[N-]c1cn(C2CCOCC2)cn1	ZINC001193112335	845980600	/nfs/dbraw/zinc/98/06/00/845980600.db2.gz	RFGFCTZVNJKISZ-SECBINFHSA-N	-1	0	284.341	0.888	20	30		CCEDRM
COC(=O)/C=C/c1cccc([N-]S(=O)(=O)[C@H](C)C#N)n1	ZINC001193112292	845980612	/nfs/dbraw/zinc/98/06/12/845980612.db2.gz	QHGULJFQRAVBQE-XCODYQFDSA-N	-1	0	295.320	0.922	20	30		CCEDRM
C[C@@H](C#N)S(=O)(=O)[N-]c1cccn2nccc12	ZINC001193111901	845981240	/nfs/dbraw/zinc/98/12/40/845981240.db2.gz	MNLVFJRFPYYILI-QMMMGPOBSA-N	-1	0	250.283	0.988	20	30		CCEDRM
COC(=O)n1ncc(C#N)c1[N-]S(=O)(=O)[C@H](C)C#N	ZINC001193173599	845995799	/nfs/dbraw/zinc/99/57/99/845995799.db2.gz	RDOUIGIOILZWJG-ZCFIWIBFSA-N	-1	0	283.269	0.023	20	30		CCEDRM
COC(=O)c1ccc(O)c([N-]S(=O)(=O)[C@@H](C)C#N)c1	ZINC001193146004	846004558	/nfs/dbraw/zinc/00/45/58/846004558.db2.gz	FFOWOJCYBHPHMI-ZETCQYMHSA-N	-1	0	284.293	0.833	20	30		CCEDRM
Cn1cnc([N-]S(=O)(=O)C[C@@H]2CCCO2)c1C#N	ZINC001193213704	846022243	/nfs/dbraw/zinc/02/22/43/846022243.db2.gz	NCEHWPVGGOJJAF-QMMMGPOBSA-N	-1	0	270.314	0.212	20	30		CCEDRM
N#Cc1cc(C(=O)N2CC[C@H](O)[C@H](CO)C2)ccc1[O-]	ZINC001193507290	846101503	/nfs/dbraw/zinc/10/15/03/846101503.db2.gz	VBUPGNCDBUDVER-AAEUAGOBSA-N	-1	0	276.292	0.079	20	30		CCEDRM
C=CC(=O)NCCNC(=O)c1ccc([O-])c(C#N)c1	ZINC001193515983	846103053	/nfs/dbraw/zinc/10/30/53/846103053.db2.gz	WOCGWPFDWMWTDG-UHFFFAOYSA-N	-1	0	259.265	0.296	20	30		CCEDRM
N#Cc1cc(C(=O)NC[C@@H]2CNC(=O)O2)ccc1[O-]	ZINC001193518894	846103204	/nfs/dbraw/zinc/10/32/04/846103204.db2.gz	KWFVTXVRIZMLFJ-SECBINFHSA-N	-1	0	261.237	0.102	20	30		CCEDRM
N#Cc1cc(C(=O)NC2(CCO)COC2)ccc1[O-]	ZINC001193515117	846103312	/nfs/dbraw/zinc/10/33/12/846103312.db2.gz	JOQHLMLGPGBGGE-UHFFFAOYSA-N	-1	0	262.265	0.145	20	30		CCEDRM
CCOC(=O)[C@H](C#N)NC(=O)c1ccc([O-])c(C#N)c1	ZINC001193514514	846103686	/nfs/dbraw/zinc/10/36/86/846103686.db2.gz	FOBCMHMILLWPCT-JTQLQIEISA-N	-1	0	273.248	0.449	20	30		CCEDRM
Cc1ncc(C#N)cc1[N-]S(=O)(=O)c1nccn1C	ZINC001193562039	846119959	/nfs/dbraw/zinc/11/99/59/846119959.db2.gz	XNRQPTNDLVEJSL-UHFFFAOYSA-N	-1	0	277.309	0.796	20	30		CCEDRM
Cc1cc([N-]S(=O)(=O)c2nccn2C)cnc1C#N	ZINC001193561359	846120215	/nfs/dbraw/zinc/12/02/15/846120215.db2.gz	HJFHGAHMDBWCRV-UHFFFAOYSA-N	-1	0	277.309	0.796	20	30		CCEDRM
N#Cc1cccc(C(=O)N=c2ncnc3[nH][nH]cc2-3)c1[O-]	ZINC001193635160	846131030	/nfs/dbraw/zinc/13/10/30/846131030.db2.gz	POFQXPGLXQLFHB-UHFFFAOYSA-N	-1	0	280.247	0.556	20	30		CCEDRM
CC(=O)N1C[C@H]2C[C@@]2(NC(=O)c2cccc(C#N)c2[O-])C1	ZINC001193658090	846140486	/nfs/dbraw/zinc/14/04/86/846140486.db2.gz	SFRIUNWTWIIEDX-IAQYHMDHSA-N	-1	0	285.303	0.614	20	30		CCEDRM
COC(=O)c1cc(C(=O)Nc2cc(C#N)ccn2)n[n-]1	ZINC001194279760	846245037	/nfs/dbraw/zinc/24/50/37/846245037.db2.gz	ZYNUUKXRZRVREZ-UHFFFAOYSA-N	-1	0	271.236	0.715	20	30		CCEDRM
COc1ncccc1S(=O)(=O)[N-]c1oncc1C#N	ZINC001194676595	846356271	/nfs/dbraw/zinc/35/62/71/846356271.db2.gz	MVCNDMCYVKTHFF-UHFFFAOYSA-N	-1	0	280.265	0.751	20	30		CCEDRM
C#C[C@@H](C)NS(=O)(=O)c1cc(C(=O)[O-])c(F)cc1F	ZINC001195257810	846487095	/nfs/dbraw/zinc/48/70/95/846487095.db2.gz	JAINXBQXBXZQQB-ZCFIWIBFSA-N	-1	0	289.259	0.963	20	30		CCEDRM
N#Cc1ccc(C(=O)N(O)C(=N)c2nonc2N)c([O-])c1	ZINC001195733393	846604871	/nfs/dbraw/zinc/60/48/71/846604871.db2.gz	NMMSFCSUIPPNGZ-UHFFFAOYSA-N	-1	0	288.223	0.086	20	30		CCEDRM
CCOC(=O)CC(=N)NC(=O)c1ccc(C#N)cc1[O-]	ZINC001195758765	846610134	/nfs/dbraw/zinc/61/01/34/846610134.db2.gz	SBNVRUNLWNGBIQ-UHFFFAOYSA-N	-1	0	275.264	0.924	20	30		CCEDRM
N#Cc1ccc(C(=O)N[C@@H]2C=CS(=O)(=O)C2)c([O-])c1	ZINC001195764655	846613709	/nfs/dbraw/zinc/61/37/09/846613709.db2.gz	NROWBIRCVOAXTC-SECBINFHSA-N	-1	0	278.289	0.304	20	30		CCEDRM
CCOC(=O)CS(=O)(=O)[N-]c1oc(C)nc1C#N	ZINC001195939302	846644472	/nfs/dbraw/zinc/64/44/72/846644472.db2.gz	QSEAIGOGADQGOW-UHFFFAOYSA-N	-1	0	273.270	0.160	20	30		CCEDRM
CC(C)(C)c1nc(C(=O)N([O-])C(=N)c2nonc2N)no1	ZINC001196978815	846826454	/nfs/dbraw/zinc/82/64/54/846826454.db2.gz	NPSGLEGYZSSMSW-UHFFFAOYSA-N	-1	0	295.259	0.189	20	30		CCEDRM
Cc1ccc(S(=O)(=O)[N-]c2cncc(C#N)n2)cn1	ZINC001198272297	847084534	/nfs/dbraw/zinc/08/45/34/847084534.db2.gz	KLKLGNWSEZQHKI-UHFFFAOYSA-N	-1	0	275.293	0.853	20	30		CCEDRM
CN(CC#N)S(=O)(=O)c1ccccc1C(=O)[O-]	ZINC001198762191	847163623	/nfs/dbraw/zinc/16/36/23/847163623.db2.gz	BUNJNXTZBAEMCM-UHFFFAOYSA-N	-1	0	254.267	0.529	20	30		CCEDRM
COC(=O)CCCS(=O)(=O)[N-]c1cnc(C#N)cn1	ZINC001201902986	847831047	/nfs/dbraw/zinc/83/10/47/847831047.db2.gz	GPNHIJTZJSSSNU-UHFFFAOYSA-N	-1	0	284.297	0.043	20	30		CCEDRM
COC(=O)CCCS(=O)(=O)[N-]c1ccc(O)cc1C#N	ZINC001201915361	847834456	/nfs/dbraw/zinc/83/44/56/847834456.db2.gz	LBPWGBYMKZESTO-UHFFFAOYSA-N	-1	0	298.320	0.959	20	30		CCEDRM
N#Cc1cc(C(=O)N2CCC3(C[C@@H]3C(N)=O)CC2)ccc1[O-]	ZINC001276156522	848941958	/nfs/dbraw/zinc/94/19/58/848941958.db2.gz	UOKMEACXZJOAFP-GFCCVEGCSA-N	-1	0	299.330	0.991	20	30		CCEDRM
C=C[C@@H]1OCC[C@H]1C(=O)N1CCC[C@H](c2nnn[n-]2)C1	ZINC001138658625	849180455	/nfs/dbraw/zinc/18/04/55/849180455.db2.gz	AACDIXUJRJBEAT-AXFHLTTASA-N	-1	0	277.328	0.497	20	30		CCEDRM
C[C@H](C(=O)[O-])N(C)S(=O)(=O)c1cc(F)cc(C#N)c1	ZINC000718533392	849266669	/nfs/dbraw/zinc/26/66/69/849266669.db2.gz	PEHTWMWTQQWWTR-SSDOTTSWSA-N	-1	0	286.284	0.791	20	30		CCEDRM
CN(CCC(=O)[O-])S(=O)(=O)Cc1ccccc1C#N	ZINC000037932464	849279694	/nfs/dbraw/zinc/27/96/94/849279694.db2.gz	ZDUSOBXFNYIOJH-UHFFFAOYSA-N	-1	0	282.321	0.795	20	30		CCEDRM
CC[C@@H]1CN(C(=O)c2n[nH]c(C)c2[O-])CC[C@@H]1NCC#N	ZINC001037819694	849592077	/nfs/dbraw/zinc/59/20/77/849592077.db2.gz	OYPPQFYEPJKZAE-MNOVXSKESA-N	-1	0	291.355	0.778	20	30		CCEDRM
CC#CCN1CC[C@H]1CNC(=O)c1[nH]nc(C)c1[O-]	ZINC001038160904	849802507	/nfs/dbraw/zinc/80/25/07/849802507.db2.gz	JRRLWUDLUJPTER-JTQLQIEISA-N	-1	0	262.313	0.251	20	30		CCEDRM
Cc1[nH]nc(C(=O)N2CC[C@H](NCC#N)C[C@@H]2C)c1[O-]	ZINC001044555570	851122875	/nfs/dbraw/zinc/12/28/75/851122875.db2.gz	UAMFDTLTUYEPBF-WPRPVWTQSA-N	-1	0	277.328	0.530	20	30		CCEDRM
C=CC[C@@](C)([N-]S(=O)(=O)C(F)F)C(=O)OC	ZINC001259965049	851913065	/nfs/dbraw/zinc/91/30/65/851913065.db2.gz	SXSXNTICGDCCJI-MRVPVSSYSA-N	-1	0	257.258	0.636	20	30		CCEDRM
CC1(C)C[C@]1(C#N)[N-]S(=O)(=O)N=S(C)(C)=O	ZINC000903129571	852144386	/nfs/dbraw/zinc/14/43/86/852144386.db2.gz	DDOIEKJKEDAVNO-MRVPVSSYSA-N	-1	0	265.360	0.241	20	30		CCEDRM
C#CC[C@@H](NC(=O)CCCNC(=O)C(C)(C)C)C(=O)[O-]	ZINC000149711413	853995249	/nfs/dbraw/zinc/99/52/49/853995249.db2.gz	BZGVHVUYSCXIKU-SNVBAGLBSA-N	-1	0	282.340	0.522	20	30		CCEDRM
C#CC[C@@H](NC(=O)c1sccc1OC)C(=O)[O-]	ZINC000149985667	854011108	/nfs/dbraw/zinc/01/11/08/854011108.db2.gz	CSKBJSPFLHXIHA-SSDOTTSWSA-N	-1	0	253.279	0.963	20	30		CCEDRM
C#CC[C@@H](NC(=O)c1snnc1CC)C(=O)[O-]	ZINC000149982978	854011683	/nfs/dbraw/zinc/01/16/83/854011683.db2.gz	VOVSLWRSWXZBJS-SSDOTTSWSA-N	-1	0	253.283	0.307	20	30		CCEDRM
C=CCNC(=O)CNC(=O)[C@@H]1CCC[C@H](C(=O)[O-])C1	ZINC000393823520	854134093	/nfs/dbraw/zinc/13/40/93/854134093.db2.gz	LCEAYZFWPNMPSA-ZJUUUORDSA-N	-1	0	268.313	0.296	20	30		CCEDRM
C#CCO[N-]C(=O)Cc1csc(-c2nc[nH]n2)n1	ZINC001118774801	856438602	/nfs/dbraw/zinc/43/86/02/856438602.db2.gz	SXNDVGVZQFNVQC-UHFFFAOYSA-N	-1	0	263.282	0.152	20	30		CCEDRM
C=CC[C@@H](NC(=O)NC[C@@H](C)CN1CCOCC1)C(=O)[O-]	ZINC001119577601	856751525	/nfs/dbraw/zinc/75/15/25/856751525.db2.gz	QSDOWNSKTANPLB-VXGBXAGGSA-N	-1	0	299.371	0.283	20	30		CCEDRM
C=CCOC[C@H](NC(=O)[C@H]1CCC[C@@H]1OC)C(=O)[O-]	ZINC001349931252	891799662	/nfs/dbraw/zinc/79/96/62/891799662.db2.gz	HOXZFKGBEVVVJQ-DCAQKATOSA-N	-1	0	271.313	0.574	20	30		CCEDRM
N#Cc1nc(NC(=O)c2nccnc2Cl)[n-]c1C#N	ZINC001300045080	892047925	/nfs/dbraw/zinc/04/79/25/892047925.db2.gz	RTBZNYKNKDUDHL-UHFFFAOYSA-N	-1	0	273.643	0.849	20	30		CCEDRM
C#CCCCC(=O)NCCN(Cc1n[nH]c(=O)[n-]1)C1CC1	ZINC001481166949	892265122	/nfs/dbraw/zinc/26/51/22/892265122.db2.gz	VSSLITQFUPYLPB-UHFFFAOYSA-N	-1	0	291.355	0.394	20	30		CCEDRM
C#CCO[N-]C(=O)Cn1ncc2ccccc2c1=O	ZINC001326021021	913699917	/nfs/dbraw/zinc/69/99/17/913699917.db2.gz	INBQGIOYPOPYKI-UHFFFAOYSA-N	-1	0	257.249	0.078	20	30		CCEDRM
N#Cc1cn(CC(=O)Nc2ccc(F)cc2)c(=O)[n-]c1=O	ZINC001417597825	892863625	/nfs/dbraw/zinc/86/36/25/892863625.db2.gz	NJMURXZXZWFNGB-UHFFFAOYSA-N	-1	0	288.238	0.598	20	30		CCEDRM
C[C@H](C#N)S(=O)(=O)[N-]c1nnc(-c2ccco2)o1	ZINC001193106647	900031562	/nfs/dbraw/zinc/03/15/62/900031562.db2.gz	UYEZYCREGFYFKW-ZCFIWIBFSA-N	-1	0	268.254	0.983	20	30		CCEDRM
CC(=O)Nc1cc([N-]S(=O)(=O)[C@H](C)C#N)ccn1	ZINC001193107661	900034343	/nfs/dbraw/zinc/03/43/43/900034343.db2.gz	ZJBOIMVMQSCDKX-SSDOTTSWSA-N	-1	0	268.298	0.694	20	30		CCEDRM
CN(CC#N)CCCNC(=O)c1ccc2oc(=O)nc-2[n-]1	ZINC001490270595	900584266	/nfs/dbraw/zinc/58/42/66/900584266.db2.gz	TVXZRRLNXITVRU-UHFFFAOYSA-N	-1	0	289.295	0.504	20	30		CCEDRM
C[C@H]1CC[C@H](NC(=O)Cn2cc(C#N)c(=O)[n-]c2=O)CC1	ZINC001411782700	901254138	/nfs/dbraw/zinc/25/41/38/901254138.db2.gz	SXEKJWIDUNQHJU-HOMQSWHASA-N	-1	0	290.323	0.515	20	30		CCEDRM
C=CCCC[C@@H](C)NC(=O)C(=O)NCC(=O)[N-]OCC	ZINC001326981032	901990627	/nfs/dbraw/zinc/99/06/27/901990627.db2.gz	RJOJXVHPTLCQIX-SNVBAGLBSA-N	-1	0	285.344	0.031	20	30		CCEDRM
Cc1cc(C#N)c(=O)[n-]c1C(=O)N1CCC[C@H](O)CC1	ZINC001413024681	902498023	/nfs/dbraw/zinc/49/80/23/902498023.db2.gz	FUMNSJAXDMOFKI-NSHDSACASA-N	-1	0	275.308	0.954	20	30		CCEDRM
N#Cc1c(N)nn(-c2cccc(CC(=O)[O-])c2)c1N	ZINC001210069272	903818703	/nfs/dbraw/zinc/81/87/03/903818703.db2.gz	LLPOOSVSFNTLPN-UHFFFAOYSA-N	-1	0	257.253	0.535	20	30		CCEDRM
N#CCSCC(=O)[N-]S(=O)(=O)C[C@@H]1CCCOC1	ZINC001327885828	914836356	/nfs/dbraw/zinc/83/63/56/914836356.db2.gz	JOBVXKNCEOGMPS-SECBINFHSA-N	-1	0	292.382	0.116	20	30		CCEDRM
CC[C@@H](C)N(OC)C(=O)CCn1cc(C#N)c(=O)[n-]c1=O	ZINC001294847453	906642153	/nfs/dbraw/zinc/64/21/53/906642153.db2.gz	ITEPOKUHVLCEFE-SECBINFHSA-N	-1	0	294.311	0.399	20	30		CCEDRM
N#Cc1ccc([O-])c(NC(=O)Cn2cnc(N)n2)c1	ZINC001295829288	906810565	/nfs/dbraw/zinc/81/05/65/906810565.db2.gz	ZPPFSDDSXIIMCA-UHFFFAOYSA-N	-1	0	258.241	0.076	20	30		CCEDRM
COC[C@H](Nc1[n-]c(=O)n(C)c(=O)c1C#N)C(C)C	ZINC001337787855	921293272	/nfs/dbraw/zinc/29/32/72/921293272.db2.gz	KGBDKZLEWKRAJY-VIFPVBQESA-N	-1	0	266.301	0.028	20	30		CCEDRM
Cn1c(=O)[n-]c(NCCCC(F)(F)F)c(C#N)c1=O	ZINC001337875886	921300695	/nfs/dbraw/zinc/30/06/95/921300695.db2.gz	WWSAVZMTSGPRHG-UHFFFAOYSA-N	-1	0	276.218	0.700	20	30		CCEDRM
C#Cc1ccc(NC(=O)C(=O)[N-]OCCCOC)cc1	ZINC001338034906	921344345	/nfs/dbraw/zinc/34/43/45/921344345.db2.gz	FVBZDPOYIWBQPN-UHFFFAOYSA-N	-1	0	276.292	0.691	20	30		CCEDRM
C#CCSCC(=O)[N-]S(=O)(=O)Cc1ccccn1	ZINC001338057574	921355154	/nfs/dbraw/zinc/35/51/54/921355154.db2.gz	IXVUDKPPWHFDKX-UHFFFAOYSA-N	-1	0	284.362	0.394	20	30		CCEDRM
N#Cc1cn(CC(=O)NCCCCC2CC2)c(=O)[n-]c1=O	ZINC001302507925	908023483	/nfs/dbraw/zinc/02/34/83/908023483.db2.gz	XEMQDHNQCKWWKR-UHFFFAOYSA-N	-1	0	290.323	0.517	20	30		CCEDRM
CCON(CC)C(=O)CCn1cc(C#N)c(=O)[n-]c1=O	ZINC001302623251	908031885	/nfs/dbraw/zinc/03/18/85/908031885.db2.gz	ZCOBBRXJRIRIDD-UHFFFAOYSA-N	-1	0	280.284	0.011	20	30		CCEDRM
C=C(C)CN(CC)c1nnc(Cc2nn[nH]n2)n1C	ZINC001338274191	921413061	/nfs/dbraw/zinc/41/30/61/921413061.db2.gz	WJQMUVBOGAGSIS-UHFFFAOYSA-N	-1	0	262.321	0.321	20	30		CCEDRM
C#CC[NH2+]Cc1cc(=O)[nH]c(CNC(=O)[C@@H]2C[C@@H]2C)n1	ZINC001316714943	908691995	/nfs/dbraw/zinc/69/19/95/908691995.db2.gz	DVMOVXOZQGKAKS-GXSJLCMTSA-N	-1	0	274.324	0.177	20	30		CCEDRM
C=CCO[C@H]1CCN(C(=O)c2n[nH]c(C)c2[O-])C1	ZINC001320352345	910629024	/nfs/dbraw/zinc/62/90/24/910629024.db2.gz	NNQSZSIPCHQHKA-VIFPVBQESA-N	-1	0	251.286	0.841	20	30		CCEDRM
C=CC[C@H](NC(=O)[C@@H]1CCCN(C(=O)CC)C1)C(=O)[O-]	ZINC001321658513	911428426	/nfs/dbraw/zinc/42/84/26/911428426.db2.gz	UNWPFWOZTYRSFZ-MNOVXSKESA-N	-1	0	282.340	0.781	20	30		CCEDRM
C=C[C@@H](C)O[N-]C(=O)C(=O)Nc1nc2c(s1)COCC2	ZINC001328727881	915388052	/nfs/dbraw/zinc/38/80/52/915388052.db2.gz	POBGMQHHXQJFQJ-SSDOTTSWSA-N	-1	0	297.336	0.777	20	30		CCEDRM
C=CCC1(NC(=O)CCc2nnn[n-]2)CCOCC1	ZINC001329582878	916036436	/nfs/dbraw/zinc/03/64/36/916036436.db2.gz	LXEVJAGQJACECQ-UHFFFAOYSA-N	-1	0	265.317	0.374	20	30		CCEDRM
C=CCOC[C@H](NC(=O)C1CCN(C(C)=O)CC1)C(=O)[O-]	ZINC001331894761	917699658	/nfs/dbraw/zinc/69/96/58/917699658.db2.gz	GMAHATRCDNYBIO-LBPRGKRZSA-N	-1	0	298.339	0.017	20	30		CCEDRM
CC#CCS(=O)(=O)[N-]C(=O)C1(c2cc(C)no2)CC1	ZINC001331925549	917722261	/nfs/dbraw/zinc/72/22/61/917722261.db2.gz	VZFMAPQZNVRFGH-UHFFFAOYSA-N	-1	0	282.321	0.484	20	30		CCEDRM
C=CCOC[C@H](NCc1cnc(N(C)C)n1C)C(=O)[O-]	ZINC001331933472	917728246	/nfs/dbraw/zinc/72/82/46/917728246.db2.gz	CWUIANBABZSKET-NSHDSACASA-N	-1	0	282.344	0.232	20	30		CCEDRM
C=CC[C@H](C(=O)[O-])N1CC[C@H](C)S(=O)(=O)CC1	ZINC001588730170	983996658	/nfs/dbraw/zinc/99/66/58/983996658.db2.gz	WVMYAGNSFPRXAQ-VHSXEESVSA-N	-1	0	261.343	0.525	20	30		CCEDRM
C=CC[C@H](NC(=O)c1cn2c(n1)COCC2)C(=O)[O-]	ZINC001332135524	917893896	/nfs/dbraw/zinc/89/38/96/917893896.db2.gz	JIBCHIQFJDWJMR-QMMMGPOBSA-N	-1	0	265.269	0.172	20	30		CCEDRM
C=CC[C@@H](NC(=O)[C@H](OC)c1cnn(C)c1)C(=O)[O-]	ZINC001332135794	917894536	/nfs/dbraw/zinc/89/45/36/917894536.db2.gz	LHXAAKGPGXTGQL-NXEZZACHSA-N	-1	0	267.285	0.253	20	30		CCEDRM
C=C(C)CS(=O)(=O)[N-][C@@H](CCO)C(F)(F)F	ZINC001332360535	918085360	/nfs/dbraw/zinc/08/53/60/918085360.db2.gz	NLBYCFAHXDEUSN-ZETCQYMHSA-N	-1	0	261.265	0.795	20	30		CCEDRM
C=CC[C@H](NC(=O)NCc1ccc(N(C)C)nc1)C(=O)[O-]	ZINC001332598600	918300363	/nfs/dbraw/zinc/30/03/63/918300363.db2.gz	VLVXCGCSNOCEDV-NSHDSACASA-N	-1	0	292.339	0.976	20	30		CCEDRM
CC#CCCCC(=O)N1CCC(O)(c2nnn[n-]2)CC1	ZINC001333264870	918759916	/nfs/dbraw/zinc/75/99/16/918759916.db2.gz	BBAZVKCPTKSRJY-UHFFFAOYSA-N	-1	0	277.328	0.203	20	30		CCEDRM
N#Cc1cn(Cc2nc(C3CC3)no2)c(=O)[n-]c1=O	ZINC001334772004	919755913	/nfs/dbraw/zinc/75/59/13/919755913.db2.gz	UVUIQYKOEHKONL-UHFFFAOYSA-N	-1	0	259.225	0.129	20	30		CCEDRM
C=C(C)C[C@H](NC(=O)/C=C(\C)CN1CCOCC1)C(=O)[O-]	ZINC001335003451	919890996	/nfs/dbraw/zinc/89/09/96/919890996.db2.gz	PXAJIRYWJVFTLB-SRXBQZRASA-N	-1	0	296.367	0.801	20	30		CCEDRM
CCN(CC(F)F)c1[n-]c(=O)n(C)c(=O)c1C#N	ZINC001336576463	920847025	/nfs/dbraw/zinc/84/70/25/920847025.db2.gz	IBEHOVSJJYMTEU-UHFFFAOYSA-N	-1	0	258.228	0.037	20	30		CCEDRM
C#Cc1ccc(NC(=O)C(=O)[N-]OC[C@H]2CCOC2)cc1	ZINC001336736424	920968903	/nfs/dbraw/zinc/96/89/03/920968903.db2.gz	RFSFVHSYFMYZEA-LBPRGKRZSA-N	-1	0	288.303	0.691	20	30		CCEDRM
CCC(C)(C)CC(=O)NCCn1cc(C#N)c(=O)[n-]c1=O	ZINC001418528925	922219261	/nfs/dbraw/zinc/21/92/61/922219261.db2.gz	KEHAGAOHTSOBFE-UHFFFAOYSA-N	-1	0	292.339	0.763	20	30		CCEDRM
Cc1c(C([O-])=C(C#N)C(=O)NC2CCCC2)nnn1C	ZINC001341788406	922670976	/nfs/dbraw/zinc/67/09/76/922670976.db2.gz	ZZGDQCXOFJSVNX-SNVBAGLBSA-N	-1	0	275.312	0.505	20	30		CCEDRM
Cc1noc(CCC(=O)[N-]S(=O)(=O)CCCC#N)n1	ZINC001341792419	922675481	/nfs/dbraw/zinc/67/54/81/922675481.db2.gz	BTBNTBZSIWXICV-UHFFFAOYSA-N	-1	0	286.313	0.060	20	30		CCEDRM
Cn1ccnc1C([O-])=C(C#N)C(=O)COCc1cccnc1	ZINC001342610177	923024570	/nfs/dbraw/zinc/02/45/70/923024570.db2.gz	ITUSMZRPUMIKAZ-LBPRGKRZSA-N	-1	0	298.302	0.923	20	30		CCEDRM
C#CC[C@H]1CCN(C(=O)N[C@H]2C[C@H](C(=O)[O-])C2)C1	ZINC001343133334	923213099	/nfs/dbraw/zinc/21/30/99/923213099.db2.gz	JEEOGJRFKVXMEM-DCAQKATOSA-N	-1	0	250.298	0.904	20	30		CCEDRM
CNC(=O)C(C#N)=C([O-])c1ccnc2c1ncn2C	ZINC001343387029	923291855	/nfs/dbraw/zinc/29/18/55/923291855.db2.gz	OYPICGGLXOADNJ-MRVPVSSYSA-N	-1	0	257.253	0.037	20	30		CCEDRM
COCCn1ncc(C([O-])=C(C#N)C(=O)NC(C)C)c1C	ZINC001343412013	923305322	/nfs/dbraw/zinc/30/53/22/923305322.db2.gz	VMQULMXNOWGCMJ-LLVKDONJSA-N	-1	0	292.339	0.685	20	30		CCEDRM
C#C[C@@H](NC(=O)[C@H]1C[C@@H](C(=O)[O-])C1)[C@H]1CCCO1	ZINC001345144785	923807174	/nfs/dbraw/zinc/80/71/74/923807174.db2.gz	IUGYASXUZVKTIJ-LMLFDSFASA-N	-1	0	251.282	0.394	20	30		CCEDRM
C#C[C@H](NC(=O)[C@H]1C[C@@H](C(=O)[O-])C1)[C@@H]1CCCO1	ZINC001345144787	923807232	/nfs/dbraw/zinc/80/72/32/923807232.db2.gz	IUGYASXUZVKTIJ-VLEAKVRGSA-N	-1	0	251.282	0.394	20	30		CCEDRM
C#CC[C@H](NC(=O)c1cc(C(F)(F)F)n(C)n1)C(=O)[O-]	ZINC001345781030	923977070	/nfs/dbraw/zinc/97/70/70/923977070.db2.gz	KSNPPXIOWZRFBL-LURJTMIESA-N	-1	0	289.213	0.645	20	30		CCEDRM
C=CCNC(=O)C(C#N)=C([O-])c1cnn2ccncc12	ZINC001346076125	924064535	/nfs/dbraw/zinc/06/45/35/924064535.db2.gz	ALXVWLYAVOBORD-SECBINFHSA-N	-1	0	269.264	0.354	20	30		CCEDRM
C=CC[C@H](NC(=O)Cc1cn2c(n1)CCCC2)C(=O)[O-]	ZINC001346207562	924109431	/nfs/dbraw/zinc/10/94/31/924109431.db2.gz	KMIFIMKSXHTWOP-NSHDSACASA-N	-1	0	277.324	0.907	20	30		CCEDRM
C#CC[C@H](NC(=O)[C@@H]1Cc2cccnc2C1)C(=O)[O-]	ZINC001346312378	924155381	/nfs/dbraw/zinc/15/53/81/924155381.db2.gz	OTMKOWBTZMXKJG-MNOVXSKESA-N	-1	0	258.277	0.389	20	30		CCEDRM
C#CCOCCNC(=O)N1CCC[C@@](CC)(C(=O)[O-])C1	ZINC001346418499	924201424	/nfs/dbraw/zinc/20/14/24/924201424.db2.gz	SSLANJWJUNMYDG-CQSZACIVSA-N	-1	0	282.340	0.923	20	30		CCEDRM
C=CCN(C(=O)C(=O)N[C@H]1C[C@H](C(=O)[O-])C1)[C@H](C)COC	ZINC001349970242	925108215	/nfs/dbraw/zinc/10/82/15/925108215.db2.gz	IDHZSOSHUBODDP-GMTAPVOTSA-N	-1	0	298.339	0.015	20	30		CCEDRM
CO[C@](C)(C(=O)Nc1nc(C#N)c(C#N)[n-]1)C1CC1	ZINC001300045144	925593860	/nfs/dbraw/zinc/59/38/60/925593860.db2.gz	VEZRESKEIUQJGB-LBPRGKRZSA-N	-1	0	259.269	0.907	20	30		CCEDRM
Cn1c(=O)[n-]c(NCCOCC2CCC2)c(C#N)c1=O	ZINC001354163466	926028082	/nfs/dbraw/zinc/02/80/82/926028082.db2.gz	OXXFKNGIESZZPZ-UHFFFAOYSA-N	-1	0	278.312	0.174	20	30		CCEDRM
Cn1c(=O)[n-]c(NCc2ccccc2F)c(C#N)c1=O	ZINC001472636801	926100388	/nfs/dbraw/zinc/10/03/88/926100388.db2.gz	VHIQPMYFPCXIHJ-UHFFFAOYSA-N	-1	0	274.255	0.696	20	30		CCEDRM
N#CCC1(O)CN(Cc2nnc(-c3ccccc3O)o2)C1	ZINC001413987171	926734086	/nfs/dbraw/zinc/73/40/86/926734086.db2.gz	OOZMWUQCHLWQBX-UHFFFAOYSA-N	-1	0	286.291	0.903	20	30		CCEDRM
Cn1c(=O)[n-]c(NCc2cccc(O)c2)c(C#N)c1=O	ZINC001413883884	926760099	/nfs/dbraw/zinc/76/00/99/926760099.db2.gz	DDNXJTHMHIUFKU-UHFFFAOYSA-N	-1	0	272.264	0.263	20	30		CCEDRM
C=CC[C@H](NC(=O)c1cc(C(C)=O)cn1C)C(=O)[O-]	ZINC000150020560	926945159	/nfs/dbraw/zinc/94/51/59/926945159.db2.gz	DJBBLDQHRBMSLX-JTQLQIEISA-N	-1	0	264.281	0.987	20	30		CCEDRM
C=CC[C@H](NC(=O)[C@@H](C)NC(=O)C(C)(C)C)C(=O)[O-]	ZINC000150213053	926947540	/nfs/dbraw/zinc/94/75/40/926947540.db2.gz	NJRPVOMTQKSCJV-BDAKNGLRSA-N	-1	0	270.329	0.683	20	30		CCEDRM
CN(C(=O)[C@H](C#N)Cc1ccc(C#N)cc1)c1nnn[n-]1	ZINC001361668487	927235628	/nfs/dbraw/zinc/23/56/28/927235628.db2.gz	ZMMKXECYRROAPX-NSHDSACASA-N	-1	0	281.279	0.417	20	30		CCEDRM
N#Cc1cc(NC(=O)Cn2c(=O)[n-][nH]c2=O)ccc1F	ZINC001361732841	927284174	/nfs/dbraw/zinc/28/41/74/927284174.db2.gz	SXQWUGOOXFYYIW-UHFFFAOYSA-N	-1	0	277.215	0.339	20	30		CCEDRM
Cc1cnc(NC(=O)Cn2cc(C#N)c(=O)[n-]c2=O)s1	ZINC001361821973	927354809	/nfs/dbraw/zinc/35/48/09/927354809.db2.gz	TWZOILAPTIXQDW-UHFFFAOYSA-N	-1	0	291.292	0.224	20	30		CCEDRM
Cc1cc(C#N)c(=O)[n-]c1C(=O)N1CCOC[C@H]1C#N	ZINC001361967984	927485351	/nfs/dbraw/zinc/48/53/51/927485351.db2.gz	FTFRAVWACWASGO-SNVBAGLBSA-N	-1	0	272.264	0.332	20	30		CCEDRM
N#Cc1ccc(F)c(CNC(=O)Cn2c(=O)[n-][nH]c2=O)c1	ZINC001362014251	927521065	/nfs/dbraw/zinc/52/10/65/927521065.db2.gz	NYRAUZLKOFRWHU-UHFFFAOYSA-N	-1	0	291.242	0.016	20	30		CCEDRM
Cc1cc(C#N)c(=O)[n-]c1C(=O)N(C)CCS(C)(=O)=O	ZINC001362017615	927527277	/nfs/dbraw/zinc/52/72/77/927527277.db2.gz	HCENZXVLUYPMBC-UHFFFAOYSA-N	-1	0	297.336	0.084	20	30		CCEDRM
CCC(CC)(CC)NC(=O)Cn1cc(C#N)c(=O)[n-]c1=O	ZINC001362165370	927686054	/nfs/dbraw/zinc/68/60/54/927686054.db2.gz	JUSXSENWMBGRTL-UHFFFAOYSA-N	-1	0	292.339	0.906	20	30		CCEDRM
CCOC(=O)[C@H](C)CNC(=O)c1[n-]c(=O)c(C#N)cc1C	ZINC001362204695	927728267	/nfs/dbraw/zinc/72/82/67/927728267.db2.gz	XBSRRMFCZZVZIU-SECBINFHSA-N	-1	0	291.307	0.896	20	30		CCEDRM
CC1(C#N)CCN(C(=O)c2c[n-]n3c2nccc3=O)CC1	ZINC001362217650	927743045	/nfs/dbraw/zinc/74/30/45/927743045.db2.gz	CIIHIJMJYYCRFE-UHFFFAOYSA-N	-1	0	285.307	0.788	20	30		CCEDRM
Cc1cc(C#N)c(=O)[n-]c1C(=O)N[C@H](C(N)=O)C(C)(C)C	ZINC001362431648	928011212	/nfs/dbraw/zinc/01/12/12/928011212.db2.gz	UJTPFPWQXBLDMK-SNVBAGLBSA-N	-1	0	290.323	0.597	20	30		CCEDRM
COC[C@H](O)CCNC(=O)c1[n-]c(=O)c(C#N)cc1C	ZINC001362435007	928015711	/nfs/dbraw/zinc/01/57/11/928015711.db2.gz	QMBVRVZNRVVXMH-SNVBAGLBSA-N	-1	0	279.296	0.095	20	30		CCEDRM
C[C@@H]1CC(NC(=O)c2cccc(-c3nc(=O)o[n-]3)c2)=NO1	ZINC001362460482	928046883	/nfs/dbraw/zinc/04/68/83/928046883.db2.gz	BYZVKOFFERUILY-SSDOTTSWSA-N	-1	0	288.263	0.882	20	30		CCEDRM
Cc1cc(C#N)c(=O)[n-]c1C(=O)N[C@H](C)c1ncn(C)n1	ZINC001362516357	928124529	/nfs/dbraw/zinc/12/45/29/928124529.db2.gz	DFFUHJISNXWKEP-MRVPVSSYSA-N	-1	0	286.295	0.587	20	30		CCEDRM
CC(=O)N1CC[C@@](C)(C(=O)Nc2nc(C#N)c(C#N)[n-]2)C1	ZINC001362971786	928712440	/nfs/dbraw/zinc/71/24/40/928712440.db2.gz	QXGXVQNDWYHFBN-CYBMUJFWSA-N	-1	0	286.295	0.350	20	30		CCEDRM
N#CCc1cccc(NC(=O)Cn2c(=O)[n-][nH]c2=O)c1	ZINC001363261823	929045136	/nfs/dbraw/zinc/04/51/36/929045136.db2.gz	ADZGRVBIXRCFLO-UHFFFAOYSA-N	-1	0	273.252	0.394	20	30		CCEDRM
COc1cc(C(=O)N2CC[C@@H](c3nnn[n-]3)C2)ccc1C#N	ZINC001363323067	929114510	/nfs/dbraw/zinc/11/45/10/929114510.db2.gz	RWYKFJOAYBZERY-LLVKDONJSA-N	-1	0	298.306	0.710	20	30		CCEDRM
COc1cc(C(=O)N2CC[C@H](c3nnn[n-]3)C2)ccc1C#N	ZINC001363323100	929115172	/nfs/dbraw/zinc/11/51/72/929115172.db2.gz	RWYKFJOAYBZERY-NSHDSACASA-N	-1	0	298.306	0.710	20	30		CCEDRM
COC[C@@H](NC(=O)c1cc(C#N)cs1)c1nnn[n-]1	ZINC001363410988	929194990	/nfs/dbraw/zinc/19/49/90/929194990.db2.gz	HPYVOFSIWVGLMK-SSDOTTSWSA-N	-1	0	278.297	0.250	20	30		CCEDRM
N#CC[C@@H](NC(=O)c1c[n-]n2c1nccc2=O)C(F)(F)F	ZINC001363530639	929332799	/nfs/dbraw/zinc/33/27/99/929332799.db2.gz	MUVBWHLDGMNQSH-SSDOTTSWSA-N	-1	0	299.212	0.597	20	30		CCEDRM
Cc1cc(C#N)c(=O)[n-]c1C(=O)N1CCO[C@](C)(C#N)C1	ZINC001363741752	929538508	/nfs/dbraw/zinc/53/85/08/929538508.db2.gz	IKVKSKFFEGLWBO-CQSZACIVSA-N	-1	0	286.291	0.722	20	30		CCEDRM
COc1cccc(OCCn2c(=O)[n-]cc(C#N)c2=O)c1	ZINC001363762713	929553036	/nfs/dbraw/zinc/55/30/36/929553036.db2.gz	QPEPBJDNLJIODF-UHFFFAOYSA-N	-1	0	287.275	0.496	20	30		CCEDRM
N#Cc1ccccc1OCCn1c(=O)[n-]cc(C#N)c1=O	ZINC001363765057	929555957	/nfs/dbraw/zinc/55/59/57/929555957.db2.gz	WGEMZEJZWQXMHL-UHFFFAOYSA-N	-1	0	282.259	0.359	20	30		CCEDRM
N#Cc1ccc([C@@H](O)C(=O)NC2(c3nnn[n-]3)CCC2)cc1	ZINC001363822674	929615477	/nfs/dbraw/zinc/61/54/77/929615477.db2.gz	SFNZESCCGAFNBT-LLVKDONJSA-N	-1	0	298.306	0.300	20	30		CCEDRM
Cc1cc(C#N)c(=O)[n-]c1C(=O)NCCC1CC(O)C1	ZINC001447641202	930673544	/nfs/dbraw/zinc/67/35/44/930673544.db2.gz	ZXHOAZTXCNOZAW-UHFFFAOYSA-N	-1	0	275.308	0.858	20	30		CCEDRM
C[C@H](C#N)C(=O)N(C)C1CCN(Cc2n[nH]c(=O)[n-]2)CC1	ZINC001376011593	931021104	/nfs/dbraw/zinc/02/11/04/931021104.db2.gz	LNWNHJVZUGTERS-SECBINFHSA-N	-1	0	292.343	0.093	20	30		CCEDRM
Cn1nccc1[C@H](NC(=O)CC(C)(C)C#N)C(=O)[O-]	ZINC001601032595	970911237	/nfs/dbraw/zinc/91/12/37/970911237.db2.gz	DHGUKPWOINHGPS-JTQLQIEISA-N	-1	0	264.285	0.602	20	30		CCEDRM
N#Cc1ccc(CNC(=O)N2CC[C@@H](C(=O)[O-])C2)nc1	ZINC001601101542	970931954	/nfs/dbraw/zinc/93/19/54/970931954.db2.gz	TYXFZBNKEXGCRW-SNVBAGLBSA-N	-1	0	274.280	0.569	20	30		CCEDRM
N#Cc1cc(N2CCO[C@H](C(=O)[O-])C2)cc(N)c1[N+](=O)[O-]	ZINC001611295837	970980136	/nfs/dbraw/zinc/98/01/36/970980136.db2.gz	NAHMPNLLDDZWAV-JTQLQIEISA-N	-1	0	292.251	0.338	20	30		CCEDRM
C#C[C@@](C)(CC)NC(=O)c1cccn(CC(=O)[O-])c1=O	ZINC001602673514	971239968	/nfs/dbraw/zinc/23/99/68/971239968.db2.gz	VVHRHSXAZCYMAD-AWEZNQCLSA-N	-1	0	276.292	0.465	20	30		CCEDRM
C#CC[C@@H]1NC(=O)N(c2ccn(C(C)(C)C(=O)[O-])n2)C1=O	ZINC001602675099	971245574	/nfs/dbraw/zinc/24/55/74/971245574.db2.gz	KOBHGBGCRJYJJO-QMMMGPOBSA-N	-1	0	290.279	0.151	20	30		CCEDRM
C#CCCCCC(=O)O[C@H]1CCN(CC(=O)[O-])C1=O	ZINC001602675597	971251071	/nfs/dbraw/zinc/25/10/71/971251071.db2.gz	BZFWZTPALUYIQL-JTQLQIEISA-N	-1	0	267.281	0.409	20	30		CCEDRM
C#CCN(CC(=O)[O-])C(=O)C(C)(C)n1cc([N+](=O)[O-])cn1	ZINC001602678586	971255973	/nfs/dbraw/zinc/25/59/73/971255973.db2.gz	BXHXDNSHMJWPLQ-UHFFFAOYSA-N	-1	0	294.267	0.073	20	30		CCEDRM
C#CCN(CC(=O)[O-])C(=O)[C@H](C)NC(=O)OC(C)(C)C	ZINC001602678784	971256829	/nfs/dbraw/zinc/25/68/29/971256829.db2.gz	GMXJCVVGMJZRNW-VIFPVBQESA-N	-1	0	284.312	0.446	20	30		CCEDRM
C#CCN(CC(=O)[O-])C(=O)[C@@]1([C@@H]2CCCCO2)CCCO1	ZINC001602679650	971261431	/nfs/dbraw/zinc/26/14/31/971261431.db2.gz	VHTDSFZWVOUVJQ-WFASDCNBSA-N	-1	0	295.335	0.651	20	30		CCEDRM
C#CCN(CC(=O)[O-])C(=O)[C@H]1CCC(=O)c2cccn21	ZINC001602682213	971266855	/nfs/dbraw/zinc/26/68/55/971266855.db2.gz	ISSKFBGRXAHDSF-LLVKDONJSA-N	-1	0	274.276	0.552	20	30		CCEDRM
C#CCN(CC(=O)[O-])C(=O)N[C@H]1CCC[C@H](F)C1	ZINC001602684008	971277615	/nfs/dbraw/zinc/27/76/15/971277615.db2.gz	NRGYCXCJBZGRGN-UWVGGRQHSA-N	-1	0	256.277	0.997	20	30		CCEDRM
C#CCN(CC(=O)[O-])C(=O)NC[C@@]1(OC(C)C)CCOC1	ZINC001602685708	971281751	/nfs/dbraw/zinc/28/17/51/971281751.db2.gz	FBWMBFTYGFHHBI-AWEZNQCLSA-N	-1	0	298.339	0.300	20	30		CCEDRM
C#CCN(CC(=O)[O-])C(=O)c1cc(-c2ccn(C)n2)on1	ZINC001602691606	971296549	/nfs/dbraw/zinc/29/65/49/971296549.db2.gz	OTMUXAKEZILPIM-UHFFFAOYSA-N	-1	0	288.263	0.235	20	30		CCEDRM
C#CCN(CC(=O)[O-])C(=O)c1ncccc1OCC	ZINC001602692545	971304390	/nfs/dbraw/zinc/30/43/90/971304390.db2.gz	SXIKJJGLNCVDNH-UHFFFAOYSA-N	-1	0	262.265	0.640	20	30		CCEDRM
C#CCN(CC(=O)[O-])[C@@H](C)c1nc(N)nc(Cl)n1	ZINC001602695664	971309856	/nfs/dbraw/zinc/30/98/56/971309856.db2.gz	OQHGNSJHFNUWFC-LURJTMIESA-N	-1	0	269.692	0.188	20	30		CCEDRM
C#CCN(CC(=O)[O-])C[C@H](O)c1cccc([N+](=O)[O-])c1	ZINC001602695704	971311056	/nfs/dbraw/zinc/31/10/56/971311056.db2.gz	QIRXLPODDMZDGC-LBPRGKRZSA-N	-1	0	278.264	0.648	20	30		CCEDRM
C#CCN(CC(=O)[O-])C[C@H](O)COc1ccccc1C#N	ZINC001602695726	971311270	/nfs/dbraw/zinc/31/12/70/971311270.db2.gz	RBPUZHWWACDIFW-ZDUSSCGKSA-N	-1	0	288.303	0.318	20	30		CCEDRM
C#CCN(CC(=O)[O-])S(=O)(=O)c1nc(C)c(C)s1	ZINC001602699211	971316205	/nfs/dbraw/zinc/31/62/05/971316205.db2.gz	NWXYXGOZIDJVIL-UHFFFAOYSA-N	-1	0	288.350	0.468	20	30		CCEDRM
C#CCN(CC(=O)[O-])Cc1cnc(C2OCCO2)s1	ZINC001602699658	971317693	/nfs/dbraw/zinc/31/76/93/971317693.db2.gz	YBAOIOLZGHVSLO-UHFFFAOYSA-N	-1	0	282.321	0.708	20	30		CCEDRM
C#CCN(CC(=O)[O-])c1nnc([C@H](C)c2ccccn2)n1C	ZINC001602700794	971321592	/nfs/dbraw/zinc/32/15/92/971321592.db2.gz	JRMJUZRTQAIRJD-LLVKDONJSA-N	-1	0	299.334	0.886	20	30		CCEDRM
C#CCSCC(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)[O-]	ZINC001602704795	971337226	/nfs/dbraw/zinc/33/72/26/971337226.db2.gz	UIINPNLJNGJBPB-LBPRGKRZSA-N	-1	0	293.344	0.871	20	30		CCEDRM
C=CCC[C@H](CO)NC(=O)[C@@H]1CO[C@@H](CCC(=O)[O-])C1	ZINC001602719262	971383641	/nfs/dbraw/zinc/38/36/41/971383641.db2.gz	ZNQDDRJRKLRUOQ-TUAOUCFPSA-N	-1	0	285.340	0.700	20	30		CCEDRM
C[C@@](C#N)(CC(=O)[O-])C(=O)NCCc1cn[nH]c1	ZINC001602780689	971520105	/nfs/dbraw/zinc/52/01/05/971520105.db2.gz	LSVMAYGKSOOWKZ-NSHDSACASA-N	-1	0	250.258	0.073	20	30		CCEDRM
C[C@](C#N)(CC(=O)[O-])C(=O)N1CCN(CCCF)CC1	ZINC001602780746	971520792	/nfs/dbraw/zinc/52/07/92/971520792.db2.gz	MTNYUJWJFKZMJX-CYBMUJFWSA-N	-1	0	285.319	0.495	20	30		CCEDRM
C[C@@](C#N)(CC(=O)[O-])C(=O)N[C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@H]12	ZINC001602782346	971528556	/nfs/dbraw/zinc/52/85/56/971528556.db2.gz	TWQFLYITSVELOI-UBKOKVPNSA-N	-1	0	264.281	0.283	20	30		CCEDRM
C[C@@H](Oc1ccc(C#N)cc1)C(=O)NC[C@@](C)(O)C(=O)[O-]	ZINC000090276493	949120347	/nfs/dbraw/zinc/12/03/47/949120347.db2.gz	IQTAXYDVJBOUBE-YMTOWFKASA-N	-1	0	292.291	0.277	20	30		CCEDRM
C#CCN(CC(=O)[O-])C(=O)Cc1ccc(NC(C)=O)cc1	ZINC000092476715	949145026	/nfs/dbraw/zinc/14/50/26/949145026.db2.gz	NXNITKWGFJMGJB-UHFFFAOYSA-N	-1	0	288.303	0.734	20	30		CCEDRM
C#CCN(CC(=O)[O-])C(=O)[C@@H]1Oc2ccccc2O[C@@H]1C	ZINC000092478455	949149560	/nfs/dbraw/zinc/14/95/60/949149560.db2.gz	KLPKCFYMHSUHJL-QMTHXVAHSA-N	-1	0	289.287	0.761	20	30		CCEDRM
C#CCN(CC(=O)[O-])CC(=O)Nc1ccccc1C(C)=O	ZINC000092481708	949152005	/nfs/dbraw/zinc/15/20/05/949152005.db2.gz	MYDCOFRFXWKJRU-UHFFFAOYSA-N	-1	0	288.303	0.848	20	30		CCEDRM
C#CCN(CC(=O)[O-])C(=O)NCCCn1cccn1	ZINC000127719900	949271751	/nfs/dbraw/zinc/27/17/51/949271751.db2.gz	KSVDJKSBNZFTRH-UHFFFAOYSA-N	-1	0	264.285	0.003	20	30		CCEDRM
CN(C(=O)c1cn(CC(=O)[O-])nn1)c1ccccc1C#N	ZINC000128989341	949279773	/nfs/dbraw/zinc/27/97/73/949279773.db2.gz	QLPPHMRKOGZIOI-UHFFFAOYSA-N	-1	0	285.263	0.511	20	30		CCEDRM
CCC[C@H](O)CCNC(=O)[C@](C)(C#N)CC(=O)[O-]	ZINC001589634307	949592352	/nfs/dbraw/zinc/59/23/52/949592352.db2.gz	OOIYKUXEOGUSDG-CABZTGNLSA-N	-1	0	256.302	0.658	20	30		CCEDRM
C[C@@H](C(=O)[O-])N(C1CC1)S(=O)(=O)c1ccc(C#N)o1	ZINC001602820425	971625815	/nfs/dbraw/zinc/62/58/15/971625815.db2.gz	WMUJDIVYCLBQRH-ZETCQYMHSA-N	-1	0	284.293	0.777	20	30		CCEDRM
CCN(C[C@@H](C)C#N)C(=O)CN(CC)[C@@H](C)C(=O)[O-]	ZINC001589719346	950402660	/nfs/dbraw/zinc/40/26/60/950402660.db2.gz	DCRQRXHKXXYBAX-QWRGUYRKSA-N	-1	0	269.345	0.790	20	30		CCEDRM
CCN(CCC#N)C(=O)COC(=O)[C@@]1(C(=O)[O-])CC1(C)C	ZINC001589730091	950491568	/nfs/dbraw/zinc/49/15/68/950491568.db2.gz	MSBPCBUHMZJCPF-AWEZNQCLSA-N	-1	0	296.323	0.793	20	30		CCEDRM
CN(C)C[C@](C)(C#N)NC(=O)CCCCC(=O)[O-]	ZINC001593692034	954046486	/nfs/dbraw/zinc/04/64/86/954046486.db2.gz	MQVFURHURIEHGK-LBPRGKRZSA-N	-1	0	255.318	0.591	20	30		CCEDRM
O=C([O-])C1(C(=O)NCC#C[C@@H]2CCCCO2)CCOCC1	ZINC001594855206	954223670	/nfs/dbraw/zinc/22/36/70/954223670.db2.gz	HMDAYOJMOKCWOL-LBPRGKRZSA-N	-1	0	295.335	0.557	20	30		CCEDRM
CC[C@@](C)(C#N)NC(=O)c1cccn(CC(=O)[O-])c1=O	ZINC001589446497	954767503	/nfs/dbraw/zinc/76/75/03/954767503.db2.gz	BCRLBEBYEKLVAV-ZDUSSCGKSA-N	-1	0	277.280	0.355	20	30		CCEDRM
CNc1ccc(C#N)cc1NC(=O)COCC(=O)[O-]	ZINC001593803085	954859608	/nfs/dbraw/zinc/85/96/08/954859608.db2.gz	CVRMVMOMLVKEHV-UHFFFAOYSA-N	-1	0	263.253	0.640	20	30		CCEDRM
COC(=O)CC[C@H](NC(=O)c1ccsc1C#N)C(=O)[O-]	ZINC001593848396	955435988	/nfs/dbraw/zinc/43/59/88/955435988.db2.gz	GGIHGCVBKMZXTM-QMMMGPOBSA-N	-1	0	296.304	0.756	20	30		CCEDRM
C[C@H](CN(C)C(=O)C(=O)Nc1cccc(C#N)n1)C(=O)[O-]	ZINC001589021808	955477376	/nfs/dbraw/zinc/47/73/76/955477376.db2.gz	FYQSJIFEZPGRRC-MRVPVSSYSA-N	-1	0	290.279	0.071	20	30		CCEDRM
Cn1ccnc1[C@@H](C#N)C(=O)C1(CC(=O)[O-])CCOCC1	ZINC001594554589	955749725	/nfs/dbraw/zinc/74/97/25/955749725.db2.gz	SMBHZPFKECNFBP-JTQLQIEISA-N	-1	0	291.307	0.868	20	30		CCEDRM
Cn1cncc1CCOC(=O)[C@](C)(C#N)CC(=O)[O-]	ZINC001594558462	955788045	/nfs/dbraw/zinc/78/80/45/955788045.db2.gz	JCAKCNCCELLJGU-LBPRGKRZSA-N	-1	0	265.269	0.510	20	30		CCEDRM
C[C@H](CO)C1CCN(C(=O)[C@@](C)(C#N)CC(=O)[O-])CC1	ZINC001589073238	955791612	/nfs/dbraw/zinc/79/16/12/955791612.db2.gz	KVTNNXZMPHNVDX-QMTHXVAHSA-N	-1	0	282.340	0.858	20	30		CCEDRM
CO[C@@H](C(=O)[O-])C(=O)N(C)Cc1ccc(C#N)cc1	ZINC001593900377	955863250	/nfs/dbraw/zinc/86/32/50/955863250.db2.gz	FMWNZYWUMYOPPJ-LLVKDONJSA-N	-1	0	262.265	0.616	20	30		CCEDRM
N#CC1(C(=O)NCCOCCOCC(=O)[O-])CC2(CC2)C1	ZINC001594600792	956126609	/nfs/dbraw/zinc/12/66/09/956126609.db2.gz	BZPQTNMGZKOZGU-UHFFFAOYSA-N	-1	0	296.323	0.304	20	30		CCEDRM
N#CC1(NC(=O)CN(CC(=O)[O-])CC2CC2)CCC1	ZINC001594601732	956139327	/nfs/dbraw/zinc/13/93/27/956139327.db2.gz	GEOXDRKTBIGOIK-UHFFFAOYSA-N	-1	0	265.313	0.345	20	30		CCEDRM
N#CC1(CC(=O)OCC(=O)NCC(=O)[O-])CCCCC1	ZINC001594604138	956160249	/nfs/dbraw/zinc/16/02/49/956160249.db2.gz	QCULXVSFPLADLQ-UHFFFAOYSA-N	-1	0	282.296	0.595	20	30		CCEDRM
N#C[C@@H]1CSCCN1C(=O)c1ccc(C(=O)[O-])cn1	ZINC001594605611	956169646	/nfs/dbraw/zinc/16/96/46/956169646.db2.gz	HJFKYCYUGZHTFT-SECBINFHSA-N	-1	0	277.305	0.861	20	30		CCEDRM
N#C[C@@H]1CC[C@H](OC(=O)[C@H]2CCCN(CC(=O)[O-])C2=O)C1	ZINC001594605841	956173805	/nfs/dbraw/zinc/17/38/05/956173805.db2.gz	KOLYKRNOCWUIAN-VWYCJHECSA-N	-1	0	294.307	0.545	20	30		CCEDRM
N#C[C@H]1CC[C@H](OC(=O)c2cccn(CC(=O)[O-])c2=O)C1	ZINC001594606523	956183642	/nfs/dbraw/zinc/18/36/42/956183642.db2.gz	YTGSHHHSWNPGOJ-UWVGGRQHSA-N	-1	0	290.275	0.782	20	30		CCEDRM
N#CCCc1ccc(S(=O)(=O)NCC(=O)[O-])cc1	ZINC001594609916	956195478	/nfs/dbraw/zinc/19/54/78/956195478.db2.gz	DVBIGRSFOPNKJM-UHFFFAOYSA-N	-1	0	268.294	0.506	20	30		CCEDRM
N#CCOc1ccc(NCCS(=O)(=O)CC(=O)[O-])cc1	ZINC001594610246	956200798	/nfs/dbraw/zinc/20/07/98/956200798.db2.gz	UDICIUAJZPIWJE-UHFFFAOYSA-N	-1	0	298.320	0.500	20	30		CCEDRM
N#Cc1cc(C[NH2+][C@H](CC(=O)[O-])C(=O)[O-])cs1	ZINC001594617028	956245782	/nfs/dbraw/zinc/24/57/82/956245782.db2.gz	WIWILZGMNIJAKQ-MRVPVSSYSA-N	-1	0	254.267	0.637	20	30		CCEDRM
N#Cc1ccc(C(=O)Nc2ccn(CC(=O)[O-])n2)o1	ZINC001594617889	956256747	/nfs/dbraw/zinc/25/67/47/956256747.db2.gz	PCLSIIBYTNTTDL-UHFFFAOYSA-N	-1	0	260.209	0.685	20	30		CCEDRM
N#Cc1ccc(NCCOCC(=O)[O-])c(CO)c1	ZINC001594623002	956294820	/nfs/dbraw/zinc/29/48/20/956294820.db2.gz	SWXXTYOOXXRLFC-UHFFFAOYSA-N	-1	0	250.254	0.564	20	30		CCEDRM
N#Cc1cccc([C@@H]2CN(C(=O)C(=O)[O-])CCO2)c1	ZINC001594625488	956310580	/nfs/dbraw/zinc/31/05/80/956310580.db2.gz	JIUIDUUFHVXLCB-NSHDSACASA-N	-1	0	260.249	0.543	20	30		CCEDRM
N#Cc1ccc2c(c1)C[C@@H](NC(=O)NCCC(=O)[O-])C2	ZINC001594627081	956321271	/nfs/dbraw/zinc/32/12/71/956321271.db2.gz	LJLXSXSTXLWARA-LBPRGKRZSA-N	-1	0	273.292	0.799	20	30		CCEDRM
N#Cc1cccc(NC2CN(C(=O)COCC(=O)[O-])C2)c1	ZINC001594628368	956329924	/nfs/dbraw/zinc/32/99/24/956329924.db2.gz	NHNAGCNZESDWTD-UHFFFAOYSA-N	-1	0	289.291	0.282	20	30		CCEDRM
N#Cc1cnc(COC(=O)[C@H]2CC[C@@H](C(=O)[O-])C2)nc1	ZINC001594633808	956360471	/nfs/dbraw/zinc/36/04/71/956360471.db2.gz	XOWREVQYYRSQAU-ZJUUUORDSA-N	-1	0	275.264	0.892	20	30		CCEDRM
N#Cc1cnn(C(=O)Cc2ccccc2C(=O)[O-])c1N	ZINC001594634082	956360958	/nfs/dbraw/zinc/36/09/58/956360958.db2.gz	CIJHDEOOMZEDHY-UHFFFAOYSA-N	-1	0	270.248	0.918	20	30		CCEDRM
COC[C@@]1(C(=O)[O-])CCN(C(=O)NCC2(C#N)CC2)C1	ZINC001593963148	956512406	/nfs/dbraw/zinc/51/24/06/956512406.db2.gz	IKGHJJDRMSGLFV-CYBMUJFWSA-N	-1	0	281.312	0.423	20	30		CCEDRM
CC1(C#N)CCN(C(=O)C(=O)N[C@H]2C[C@H](C(=O)[O-])C2)CC1	ZINC001589181636	956527307	/nfs/dbraw/zinc/52/73/07/956527307.db2.gz	NEURQAXNTOEUAK-MGCOHNPYSA-N	-1	0	293.323	0.118	20	30		CCEDRM
COC[C@@]1(C(=O)[O-])CN(Cc2ccccc2C#N)CCO1	ZINC001593983987	956740887	/nfs/dbraw/zinc/74/08/87/956740887.db2.gz	MUXGEHTZJVMSOH-OAHLLOKOSA-N	-1	0	290.319	0.860	20	30		CCEDRM
COCCC1(C)CN(C(=O)[C@@](C)(C#N)CC(=O)[O-])C1	ZINC001593990834	956842509	/nfs/dbraw/zinc/84/25/09/956842509.db2.gz	HODITKLJNCHPAM-CYBMUJFWSA-N	-1	0	268.313	0.876	20	30		CCEDRM
COCCN(CC#N)C(=O)[C@@H]1CC[C@H](C(=O)[O-])C1	ZINC001593995742	956892338	/nfs/dbraw/zinc/89/23/38/956892338.db2.gz	RQBHSCCVUMASHY-ZJUUUORDSA-N	-1	0	254.286	0.486	20	30		CCEDRM
C[C@H](CN(C)C(=O)C(=O)Nc1sccc1C#N)C(=O)[O-]	ZINC001603145401	972242565	/nfs/dbraw/zinc/24/25/65/972242565.db2.gz	QBXMVFDPRBWJJS-SSDOTTSWSA-N	-1	0	295.320	0.737	20	30		CCEDRM
CON=CC(=O)NC[C@](C)(C(=O)[O-])c1ccccc1	ZINC001594042703	957892088	/nfs/dbraw/zinc/89/20/88/957892088.db2.gz	XUSVKXYZJQNGKQ-ZDUSSCGKSA-N	-1	0	264.281	0.777	20	30		CCEDRM
C#C[C@H]1CCCN(C(=O)C(=O)N2CCC(C(=O)[O-])CC2)C1	ZINC001588382088	957966788	/nfs/dbraw/zinc/96/67/88/957966788.db2.gz	GBNYXIQJXOKKTD-NSHDSACASA-N	-1	0	292.335	0.181	20	30		CCEDRM
C#CC1(O)CN(C(=O)c2coc(/C=C/C(=O)[O-])c2)C1	ZINC001588385458	957970983	/nfs/dbraw/zinc/97/09/83/957970983.db2.gz	FZWHAERKNQVSOJ-ONEGZZNKSA-N	-1	0	261.233	0.198	20	30		CCEDRM
C#CC1(O)CN(C(=O)C2(C(=O)[O-])C(C)(C)C2(C)C)C1	ZINC001588385810	957973734	/nfs/dbraw/zinc/97/37/34/957973734.db2.gz	JLWVDXHTQOZTAN-UHFFFAOYSA-N	-1	0	265.309	0.330	20	30		CCEDRM
C#C[C@H](NC(=O)[C@@H](C(=O)[O-])C1CC1)C1CCOCC1	ZINC001588387593	957988594	/nfs/dbraw/zinc/98/85/94/957988594.db2.gz	KTMKKISOZMYSEW-RYUDHWBXSA-N	-1	0	265.309	0.642	20	30		CCEDRM
C#CCC[N@H+]1CCC[C@@H]([N-]C(=O)C(F)(F)F)[C@@H]1C(=O)[O-]	ZINC001588390979	958019498	/nfs/dbraw/zinc/01/94/98/958019498.db2.gz	XWGBFXYWDIUIBP-RKDXNWHRSA-N	-1	0	292.257	0.606	20	30		CCEDRM
C#CC[C@H]1NC(=O)N(C[C@H](CC(C)C)C(=O)[O-])C1=O	ZINC001588391614	958025036	/nfs/dbraw/zinc/02/50/36/958025036.db2.gz	KBCNYYMAUQPGMG-VHSXEESVSA-N	-1	0	266.297	0.677	20	30		CCEDRM
C#CCN(C(=O)C(=O)N1CC[C@H](C)[C@H](C(=O)[O-])C1)C(C)C	ZINC001588396480	958049736	/nfs/dbraw/zinc/04/97/36/958049736.db2.gz	SNFNDVHHFCZQSE-NWDGAFQWSA-N	-1	0	294.351	0.426	20	30		CCEDRM
C#CCN(CC(=O)[O-])C(=O)[C@@](C)(O)c1ccc(F)cc1	ZINC001588397662	958061009	/nfs/dbraw/zinc/06/10/09/958061009.db2.gz	PUCWGKDNAOXPDE-AWEZNQCLSA-N	-1	0	279.267	0.580	20	30		CCEDRM
C#CCN(CC(=O)[O-])C(=O)[C@](C)(O)c1ccc(F)cc1	ZINC001588397663	958061660	/nfs/dbraw/zinc/06/16/60/958061660.db2.gz	PUCWGKDNAOXPDE-CQSZACIVSA-N	-1	0	279.267	0.580	20	30		CCEDRM
C#CCN(CC(=O)[O-])C(=O)C1CCC(NC(C)=O)CC1	ZINC001588398612	958067796	/nfs/dbraw/zinc/06/77/96/958067796.db2.gz	AQTQCGFLBQPRIE-UHFFFAOYSA-N	-1	0	280.324	0.228	20	30		CCEDRM
C#CCN(CC(=O)[O-])C(=O)/C=C\c1cncc(F)c1	ZINC001588399382	958072615	/nfs/dbraw/zinc/07/26/15/958072615.db2.gz	JNCWVYCIPBVENG-ARJAWSKDSA-N	-1	0	262.240	0.780	20	30		CCEDRM
C#CCN(CC(=O)[O-])C(=O)/C=C\c1cccnc1C	ZINC001588399709	958075937	/nfs/dbraw/zinc/07/59/37/958075937.db2.gz	NWKPNFRIQQCAAO-SREVYHEPSA-N	-1	0	258.277	0.950	20	30		CCEDRM
C#CCN(CC(=O)[O-])C(=O)NCCC1(COC)CCC1	ZINC001588408247	958106512	/nfs/dbraw/zinc/10/65/12/958106512.db2.gz	CRIGQIPVNDXQMK-UHFFFAOYSA-N	-1	0	282.340	0.923	20	30		CCEDRM
C#CCN(CC(=O)[O-])C(=O)NC[C@@H]1CCO[C@H]1C=C	ZINC001588409017	958123182	/nfs/dbraw/zinc/12/31/82/958123182.db2.gz	PPXAOXIFLZQGPY-QWRGUYRKSA-N	-1	0	266.297	0.307	20	30		CCEDRM
C#CCN(CC(=O)[O-])C(=O)N[C@@H]1CC(=O)N(C(C)(C)C)C1	ZINC001588409385	958127452	/nfs/dbraw/zinc/12/74/52/958127452.db2.gz	GGVHSMHDQFWMJZ-SNVBAGLBSA-N	-1	0	295.339	0.115	20	30		CCEDRM
C#CCN(CC(=O)[O-])C(=O)c1ccc(CO)cc1OC	ZINC001588416129	958160853	/nfs/dbraw/zinc/16/08/53/958160853.db2.gz	HMUQFCOGJDJXFF-UHFFFAOYSA-N	-1	0	277.276	0.348	20	30		CCEDRM
C#CCN(CC(=O)[O-])C(=O)c1ccc(C(=O)OCC)cn1	ZINC001588416200	958163260	/nfs/dbraw/zinc/16/32/60/958163260.db2.gz	JEDQUUJXSLUWEH-UHFFFAOYSA-N	-1	0	290.275	0.418	20	30		CCEDRM
Cc1cc(N=NCc2cc(C(=O)[O-])nn2C)nc(C)n1	ZINC001594325303	958163491	/nfs/dbraw/zinc/16/34/91/958163491.db2.gz	OLIAGSGBANOACO-UHFFFAOYSA-N	-1	0	274.284	0.971	20	30		CCEDRM
C#CCN(CC(=O)[O-])C(=O)c1cccc(-n2cccn2)n1	ZINC001588418669	958183824	/nfs/dbraw/zinc/18/38/24/958183824.db2.gz	BTWBSOWZFZGTQV-UHFFFAOYSA-N	-1	0	284.275	0.427	20	30		CCEDRM
C#CCN(CC(=O)[O-])[C@@H]1CCC2(C[C@@H]1F)OCCO2	ZINC001588419926	958196728	/nfs/dbraw/zinc/19/67/28/958196728.db2.gz	IBEAACVXKFJSQU-WDEREUQCSA-N	-1	0	271.288	0.640	20	30		CCEDRM
C#CCN(CC(=O)[O-])CC(=O)NCc1cccc(Cl)c1	ZINC001588420475	958205180	/nfs/dbraw/zinc/20/51/80/958205180.db2.gz	ZOTQZLKXAFULQK-UHFFFAOYSA-N	-1	0	294.738	0.976	20	30		CCEDRM
C#CCN(CC(=O)[O-])c1nnc(C[C@@H](C)O)n1CC1CC1	ZINC001588426800	958233453	/nfs/dbraw/zinc/23/34/53/958233453.db2.gz	CIPJLSIMCSSUPO-SNVBAGLBSA-N	-1	0	292.339	0.136	20	30		CCEDRM
C#CCN(CC(=O)[O-])c1nnc(CC(C)C)n1C	ZINC001588426992	958236384	/nfs/dbraw/zinc/23/63/84/958236384.db2.gz	JIBAULJNYBDDDE-UHFFFAOYSA-N	-1	0	250.302	0.538	20	30		CCEDRM
C#CCN(CC(=O)[O-])c1nnc(Cc2ccoc2)n1C	ZINC001588427057	958238088	/nfs/dbraw/zinc/23/80/88/958238088.db2.gz	KYJSEUBHOBQWPA-UHFFFAOYSA-N	-1	0	274.280	0.523	20	30		CCEDRM
C#CCNC(=S)Nc1ccn(C(C)(C)C(=O)[O-])n1	ZINC001588431651	958271970	/nfs/dbraw/zinc/27/19/70/958271970.db2.gz	SLPOAGOYUCJMMV-UHFFFAOYSA-N	-1	0	266.326	0.622	20	30		CCEDRM
C#CCOc1cc(F)ccc1NC(=O)COCC(=O)[O-]	ZINC001588431622	958272767	/nfs/dbraw/zinc/27/27/67/958272767.db2.gz	RCQKEWLKDRVOHQ-UHFFFAOYSA-N	-1	0	281.239	0.877	20	30		CCEDRM
C#CCn1cc(CNC(=O)[C@@H]2CC[C@H]2C(=O)[O-])cn1	ZINC001588432791	958288663	/nfs/dbraw/zinc/28/86/63/958288663.db2.gz	DMBZFLCZMDCIFB-GHMZBOCLSA-N	-1	0	261.281	0.243	20	30		CCEDRM
C#Cc1ccc(C(=O)N[C@@H](C(=O)[O-])c2ccnn2C)nc1	ZINC001588433448	958297778	/nfs/dbraw/zinc/29/77/78/958297778.db2.gz	QSJWHEGIINIRRS-GFCCVEGCSA-N	-1	0	284.275	0.352	20	30		CCEDRM
C=C(C)[C@@H](C)OC(=O)[C@@H]1CCCN(CC(=O)[O-])C1=O	ZINC001588439485	958319185	/nfs/dbraw/zinc/31/91/85/958319185.db2.gz	ORHVENSYVFMEDK-NXEZZACHSA-N	-1	0	269.297	0.817	20	30		CCEDRM
C=C(C)[C@@H]1OCC[C@H]1CNC(=O)[C@@H]1CC(C(=O)[O-])=NO1	ZINC001588442991	958349654	/nfs/dbraw/zinc/34/96/54/958349654.db2.gz	WPGBRMZDVXLUEZ-LSJOCFKGSA-N	-1	0	282.296	0.313	20	30		CCEDRM
C=CCNC(=O)[C@H](CC(=O)[O-])NC(=O)OC(C)(C)C	ZINC000098132156	958355699	/nfs/dbraw/zinc/35/56/99/958355699.db2.gz	BEODMODJJFPCMB-QMMMGPOBSA-N	-1	0	272.301	0.657	20	30		CCEDRM
C=C(CCC(=O)OC)C(=O)N([C@H](C)C(=O)[O-])C1CC1	ZINC001588444514	958360805	/nfs/dbraw/zinc/36/08/05/958360805.db2.gz	GOVJUIZWFVDQKM-SECBINFHSA-N	-1	0	269.297	0.960	20	30		CCEDRM
C=C[C@@H](COC)NC(=O)C(=O)Nc1ccccc1C(=O)[O-]	ZINC001588450921	958401856	/nfs/dbraw/zinc/40/18/56/958401856.db2.gz	HRHACXNWPKPTFN-VIFPVBQESA-N	-1	0	292.291	0.641	20	30		CCEDRM
C=C[C@@](C)(O)CC(=O)N1C[C@@H](C(=O)[O-])[C@H](C2CC2)C1	ZINC001588451266	958407707	/nfs/dbraw/zinc/40/77/07/958407707.db2.gz	QXPDGIPRQIJXJX-MISXGVKJSA-N	-1	0	267.325	0.883	20	30		CCEDRM
C=CC[C@H](C)OC(=O)C1(C(=O)[O-])CCS(=O)(=O)CC1	ZINC001588452680	958425458	/nfs/dbraw/zinc/42/54/58/958425458.db2.gz	HGHVPSYMOVYAOE-VIFPVBQESA-N	-1	0	290.337	0.774	20	30		CCEDRM
C=CCCn1cc(C(=O)N(OC)[C@@H](C)C(=O)[O-])nn1	ZINC001588460682	958477686	/nfs/dbraw/zinc/47/76/86/958477686.db2.gz	RRPHNIVDXOPQEK-QMMMGPOBSA-N	-1	0	268.273	0.331	20	30		CCEDRM
C=C(Br)C[N@H+]1C[C@H]2COC[C@@]2(C(=O)[O-])C1	ZINC001573327102	958484702	/nfs/dbraw/zinc/48/47/02/958484702.db2.gz	DDTOUQMPDZJFNW-WPRPVWTQSA-N	-1	0	276.130	0.928	20	30		CCEDRM
C=CCN1CC[C@@H](N(C)C(=O)[C@@H]2CC[C@H](C(=O)[O-])C2)C1=O	ZINC001588464403	958491114	/nfs/dbraw/zinc/49/11/14/958491114.db2.gz	PEOXHEZLIQBUAC-GRYCIOLGSA-N	-1	0	294.351	0.733	20	30		CCEDRM
C=CC[C@@H](NC(=O)[C@H](C(=O)[O-])C1CC1)C(=O)OCC	ZINC001573328319	958497914	/nfs/dbraw/zinc/49/79/14/958497914.db2.gz	GBNBINCPXPUGJV-NXEZZACHSA-N	-1	0	269.297	0.721	20	30		CCEDRM
C=CC[C@H](C(=O)OC)N(CCC(=O)OC)CC(=O)[O-]	ZINC001573329752	958511124	/nfs/dbraw/zinc/51/11/24/958511124.db2.gz	MAMBVJLOKCIDRY-SECBINFHSA-N	-1	0	273.285	0.054	20	30		CCEDRM
CC#CCCNC(=O)[C@@H]1CO[C@H](CCC(=O)[O-])C1	ZINC001588478831	958573562	/nfs/dbraw/zinc/57/35/62/958573562.db2.gz	MDMJRGXIGIKEAQ-WDEREUQCSA-N	-1	0	253.298	0.786	20	30		CCEDRM
C[C@@](C#N)(CC(=O)[O-])C(=O)NCc1nccnc1Cl	ZINC001573362371	958597994	/nfs/dbraw/zinc/59/79/94/958597994.db2.gz	AIWOFQYPAZBEOE-NSHDSACASA-N	-1	0	282.687	0.751	20	30		CCEDRM
CC(=O)NCC[N@H+](Cc1ccc(C#N)cn1)[C@@H](C)C(=O)[O-]	ZINC001588514783	958782108	/nfs/dbraw/zinc/78/21/08/958782108.db2.gz	CVJPIYCGEWMKOQ-JTQLQIEISA-N	-1	0	290.323	0.364	20	30		CCEDRM
COc1ncc(NC(=O)[C@](C)(OC)C(=O)[O-])cc1C#N	ZINC001594160336	958875501	/nfs/dbraw/zinc/87/55/01/958875501.db2.gz	BDZADHWJCCSHNB-LBPRGKRZSA-N	-1	0	279.252	0.390	20	30		CCEDRM
C[C@](C#N)(CC(=O)[O-])C(=O)N1CC[C@@](O)(C(F)F)C1	ZINC001588536794	958936003	/nfs/dbraw/zinc/93/60/03/958936003.db2.gz	ZOOUULGTJBUAAV-MNOVXSKESA-N	-1	0	276.239	0.219	20	30		CCEDRM
CS(=O)(=O)CCNN=Cc1ccc(C(=O)[O-])s1	ZINC001594165254	958948848	/nfs/dbraw/zinc/94/88/48/958948848.db2.gz	NNVBYCWOFCJYJK-UHFFFAOYSA-N	-1	0	276.339	0.414	20	30		CCEDRM
C[C@](C#N)(CC(=O)[O-])C(=O)Nc1cccc2c1CNC2=O	ZINC001588540009	958956194	/nfs/dbraw/zinc/95/61/94/958956194.db2.gz	LWPJBTLHIIDWEJ-CQSZACIVSA-N	-1	0	287.275	0.873	20	30		CCEDRM
C[C@H](C(=O)N(C)CCCC(=O)[O-])n1cnc(C#N)n1	ZINC001588544941	958989217	/nfs/dbraw/zinc/98/92/17/958989217.db2.gz	CICURTITERUGAF-MRVPVSSYSA-N	-1	0	265.273	0.034	20	30		CCEDRM
C#CC[C@H](NC(=O)c1ccc([N+](=O)[O-])cc1)C(=O)[O-]	ZINC000149609159	959019036	/nfs/dbraw/zinc/01/90/36/959019036.db2.gz	NZAFHFDBOAFASQ-JTQLQIEISA-N	-1	0	262.221	0.801	20	30		CCEDRM
C#CC[C@H](NC(=O)c1cc([N+](=O)[O-])ccc1OC)C(=O)[O-]	ZINC000149683112	959022079	/nfs/dbraw/zinc/02/20/79/959022079.db2.gz	ZHICCYUDHDJQJE-JTQLQIEISA-N	-1	0	292.247	0.810	20	30		CCEDRM
C#CC[C@H](NC(=O)c1ccc2nccnc2c1)C(=O)[O-]	ZINC000149981248	959031683	/nfs/dbraw/zinc/03/16/83/959031683.db2.gz	NVTIHDLEHPCWFO-NSHDSACASA-N	-1	0	269.260	0.836	20	30		CCEDRM
CC(C)[C@@H](CNC(=O)Nc1nn(C)cc1C#N)C(=O)[O-]	ZINC001573499205	959046927	/nfs/dbraw/zinc/04/69/27/959046927.db2.gz	ROUPQQDXYVCYFO-SECBINFHSA-N	-1	0	279.300	0.770	20	30		CCEDRM
C[C@@H](C(=O)Nc1cc(C(=O)[O-])ccn1)n1cnc(C#N)n1	ZINC001588558282	959081487	/nfs/dbraw/zinc/08/14/87/959081487.db2.gz	UJZSBCKGNHBNDJ-ZETCQYMHSA-N	-1	0	286.251	0.443	20	30		CCEDRM
C#CC[C@@H](NS(=O)(=O)c1ccc2c(c1)CCC2)C(=O)[O-]	ZINC000159582549	959121289	/nfs/dbraw/zinc/12/12/89/959121289.db2.gz	ZXLFNFZEDPZDPE-CYBMUJFWSA-N	-1	0	293.344	0.930	20	30		CCEDRM
C#CCN(CC1CC1)S(=O)(=O)c1cc(C(=O)[O-])n(C)c1	ZINC000161814489	959195778	/nfs/dbraw/zinc/19/57/78/959195778.db2.gz	IKSRKRIWNQORJQ-UHFFFAOYSA-N	-1	0	296.348	0.757	20	30		CCEDRM
N#C[C@H]1CN(c2nc(C(=O)[O-])ccc2[N+](=O)[O-])CCO1	ZINC000166806050	959322088	/nfs/dbraw/zinc/32/20/88/959322088.db2.gz	JLDFCYFPYBCYOG-ZETCQYMHSA-N	-1	0	278.224	0.417	20	30		CCEDRM
C[C@@H]1C[C@@]1(C(=O)[O-])C(=O)NCc1ccc(C#N)cn1	ZINC001594226412	959430871	/nfs/dbraw/zinc/43/08/71/959430871.db2.gz	LKIVQAMPXHIJLJ-OQPBUACISA-N	-1	0	259.265	0.680	20	30		CCEDRM
C[C@](O)(CNC(=O)Cc1cccc(OCC#N)c1)C(=O)[O-]	ZINC001603256653	972442243	/nfs/dbraw/zinc/44/22/43/972442243.db2.gz	CDVLGICAFHWVFW-AWEZNQCLSA-N	-1	0	292.291	0.083	20	30		CCEDRM
C[C@](O)(CNC(=O)c1[nH]c2ccccc2c1C#N)C(=O)[O-]	ZINC001603261906	972447306	/nfs/dbraw/zinc/44/73/06/972447306.db2.gz	URBICKJRVOSHTE-AWEZNQCLSA-N	-1	0	287.275	0.605	20	30		CCEDRM
CC(C)(C)[C@H](C(=O)[O-])C(=O)OCCn1ncc(C#N)c1N	ZINC001588640206	959681051	/nfs/dbraw/zinc/68/10/51/959681051.db2.gz	HRAFGWSKPFMKAE-SECBINFHSA-N	-1	0	294.311	0.627	20	30		CCEDRM
C=CCN(CC=C)C(=O)CN1CCSC[C@H]1C(=O)[O-]	ZINC000215358273	959751080	/nfs/dbraw/zinc/75/10/80/959751080.db2.gz	VITBEAINLWZZHV-NSHDSACASA-N	-1	0	284.381	0.689	20	30		CCEDRM
C=CCN(CCOC)S(=O)(=O)CCCC(=O)[O-]	ZINC000234696273	960361884	/nfs/dbraw/zinc/36/18/84/960361884.db2.gz	OSKZBXLGFKNVOO-UHFFFAOYSA-N	-1	0	265.331	0.315	20	30		CCEDRM
Cc1cc(C(=O)N2CCOC[C@@H]2CC(=O)[O-])ncc1C#N	ZINC001571035369	960523693	/nfs/dbraw/zinc/52/36/93/960523693.db2.gz	NXHSSOFMPMPQOP-NSHDSACASA-N	-1	0	289.291	0.577	20	30		CCEDRM
N#Cc1ncccc1S(=O)(=O)NC1(CC(=O)[O-])CCC1	ZINC000236417949	960569219	/nfs/dbraw/zinc/56/92/19/960569219.db2.gz	DVNCHIYEHIQXCX-UHFFFAOYSA-N	-1	0	295.320	0.629	20	30		CCEDRM
Cc1noc(CCC(=O)N2CCC(C#N)(C(=O)[O-])CC2)n1	ZINC001571042374	960596950	/nfs/dbraw/zinc/59/69/50/960596950.db2.gz	HCXMVOXSRFVNMF-UHFFFAOYSA-N	-1	0	292.295	0.528	20	30		CCEDRM
C[C@H]1C[C@@H](O)CN(C(=O)[C@@](C)(C#N)CC(=O)[O-])C1	ZINC001574291407	960685819	/nfs/dbraw/zinc/68/58/19/960685819.db2.gz	SHJOESVRXVWHCO-YGOYTEALSA-N	-1	0	254.286	0.220	20	30		CCEDRM
Cc1c(C(=O)N[C@]2(C(=O)[O-])CCOC2)cnn1CCC#N	ZINC001574296463	960696431	/nfs/dbraw/zinc/69/64/31/960696431.db2.gz	LKMRUSZFUYPMFM-CYBMUJFWSA-N	-1	0	292.295	0.079	20	30		CCEDRM
Cc1c(NC(=O)[C@@](C)(C#N)CC(=O)[O-])nnn1C	ZINC001574304072	960729523	/nfs/dbraw/zinc/72/95/23/960729523.db2.gz	KOYXKBVLSIHFCD-SNVBAGLBSA-N	-1	0	251.246	0.067	20	30		CCEDRM
Cc1c[nH]c(=O)c(CNC(=O)[C@@](C)(C#N)CC(=O)[O-])c1	ZINC001574307120	960745099	/nfs/dbraw/zinc/74/50/99/960745099.db2.gz	SYBBVVVRYFZSBG-CYBMUJFWSA-N	-1	0	277.280	0.716	20	30		CCEDRM
COc1ccc(C#N)cc1CN1C[C@H](O)C[C@H]1C(=O)[O-]	ZINC000253094666	961303309	/nfs/dbraw/zinc/30/33/09/961303309.db2.gz	NXKFWRCCHLPBQK-NEPJUHHUSA-N	-1	0	276.292	0.587	20	30		CCEDRM
COc1ccc(C#N)cc1CN1C[C@@H](O)C[C@H]1C(=O)[O-]	ZINC000253094667	961304189	/nfs/dbraw/zinc/30/41/89/961304189.db2.gz	NXKFWRCCHLPBQK-RYUDHWBXSA-N	-1	0	276.292	0.587	20	30		CCEDRM
Cc1[nH]nc(NC(=O)[C@H]2CO[C@@H](CCC(=O)[O-])C2)c1C#N	ZINC001574416191	961317941	/nfs/dbraw/zinc/31/79/41/961317941.db2.gz	UZWRTUWAGXQBHE-BDAKNGLRSA-N	-1	0	292.295	0.798	20	30		CCEDRM
N#Cc1c(NC(=O)CCC(=O)[O-])ncc2c1COCC2	ZINC001574479923	961654280	/nfs/dbraw/zinc/65/42/80/961654280.db2.gz	QPSUPAHAFRSCKM-UHFFFAOYSA-N	-1	0	275.264	0.829	20	30		CCEDRM
N#Cc1ccc(S(=O)(=O)N[C@H]2C[C@@H](C(=O)[O-])C2)cc1F	ZINC001574490113	961710390	/nfs/dbraw/zinc/71/03/90/961710390.db2.gz	WLKMCXBCCYCPHV-DTORHVGOSA-N	-1	0	298.295	0.839	20	30		CCEDRM
CC(C)[C@@H](CO)CNC(=O)[C@](C)(C#N)CC(=O)[O-]	ZINC001588833196	961730248	/nfs/dbraw/zinc/73/02/48/961730248.db2.gz	HTRGACPYXQVSNX-SKDRFNHKSA-N	-1	0	256.302	0.372	20	30		CCEDRM
O=C(C#Cc1ccc2c(c1)OCO2)N[C@H]1C[C@H](C(=O)[O-])C1	ZINC001574512186	961805535	/nfs/dbraw/zinc/80/55/35/961805535.db2.gz	IDYFHXQOZRARPM-XYPYZODXSA-N	-1	0	287.271	0.746	20	30		CCEDRM
COC[C@@H](CCNC(=O)[C@@](C)(C#N)CC(=O)[O-])OC	ZINC001574130910	962529529	/nfs/dbraw/zinc/52/95/29/962529529.db2.gz	SOKYVLPWONQCGL-BXKDBHETSA-N	-1	0	272.301	0.159	20	30		CCEDRM
C#C[C@H](CO)NC(=O)c1ccc(C(=O)[O-])cc1F	ZINC001573301855	962638011	/nfs/dbraw/zinc/63/80/11/962638011.db2.gz	GQQHCQZSAGLVDV-MRVPVSSYSA-N	-1	0	251.213	0.248	20	30		CCEDRM
C#CCCCC(=O)N(C)C1CN(C(=O)[C@H]2C[C@@H]2C(=O)[O-])C1	ZINC001573302380	962651576	/nfs/dbraw/zinc/65/15/76/962651576.db2.gz	AYCCGMHJAUZIRR-RYUDHWBXSA-N	-1	0	292.335	0.180	20	30		CCEDRM
C#CCN(C)S(=O)(=O)c1cccnc1C(=O)[O-]	ZINC001573302579	962656776	/nfs/dbraw/zinc/65/67/76/962656776.db2.gz	YDJVFNFJLZVCIJ-UHFFFAOYSA-N	-1	0	254.267	0.034	20	30		CCEDRM
C#C[C@H]1CCCCN1C(=O)[C@H]1CC[C@@H](C(=O)[O-])O1	ZINC001573302717	962661067	/nfs/dbraw/zinc/66/10/67/962661067.db2.gz	PFQUBPNAGLNGHM-AXFHLTTASA-N	-1	0	251.282	0.633	20	30		CCEDRM
C#CC[C@H]1CCN(S(=O)(=O)c2cc(C(=O)[O-])[nH]n2)C1	ZINC001573303920	962683378	/nfs/dbraw/zinc/68/33/78/962683378.db2.gz	UQOSDDKAYWEJPE-QMMMGPOBSA-N	-1	0	283.309	0.142	20	30		CCEDRM
C#CCCCC(=O)N[C@@H](C)CCNC(=O)CNC(=O)[O-]	ZINC001573304168	962686947	/nfs/dbraw/zinc/68/69/47/962686947.db2.gz	YWQVKENQVVQRHN-JTQLQIEISA-N	-1	0	283.328	0.069	20	30		CCEDRM
C=C(C)C[C@H](CO)NC(=O)NC[C@H]1CCO[C@H]1C(=O)[O-]	ZINC001573322061	962765593	/nfs/dbraw/zinc/76/55/93/962765593.db2.gz	UWANNUXYJAHGAM-GMTAPVOTSA-N	-1	0	286.328	0.102	20	30		CCEDRM
C=C(CCC(=O)[O-])C(=O)N(C)CCN1CCCC1=O	ZINC001573325406	962795538	/nfs/dbraw/zinc/79/55/38/962795538.db2.gz	IWSTUIACIKKEBH-UHFFFAOYSA-N	-1	0	268.313	0.488	20	30		CCEDRM
C=C(CCC(=O)[O-])C(=O)N[C@H](C)C(=O)NCc1ccco1	ZINC001573331787	962815758	/nfs/dbraw/zinc/81/57/58/962815758.db2.gz	ATHUFDJWKQKWQP-SNVBAGLBSA-N	-1	0	294.307	0.822	20	30		CCEDRM
C=C(CCC(=O)[O-])C(=O)Nc1n[nH]c2c1COCC2	ZINC001573338087	962872080	/nfs/dbraw/zinc/87/20/80/962872080.db2.gz	XEBKMPZDXGRXIC-UHFFFAOYSA-N	-1	0	265.269	0.842	20	30		CCEDRM
C=C(Cl)CNS(=O)(=O)CC1(CC(=O)[O-])CC1	ZINC001573343517	962905254	/nfs/dbraw/zinc/90/52/54/962905254.db2.gz	GDOIYYQHTGPADJ-UHFFFAOYSA-N	-1	0	267.734	0.913	20	30		CCEDRM
C=C[C@](C)(CC)C(=O)N1CC[C@@H](NC(=O)CNC(=O)[O-])C1	ZINC001573346971	962943755	/nfs/dbraw/zinc/94/37/55/962943755.db2.gz	IFRUGKJVCGXXHB-QMTHXVAHSA-N	-1	0	297.355	0.573	20	30		CCEDRM
C=CCCC(=O)NC[C@H]1C[C@H](NC(=O)CNC(=O)[O-])C1	ZINC001573353504	963002417	/nfs/dbraw/zinc/00/24/17/963002417.db2.gz	XKDTUBOGCBLHBK-MGCOHNPYSA-N	-1	0	283.328	0.231	20	30		CCEDRM
C=CCCC[C@@H](NC(=O)[C@H]1CC[C@@H](C(N)=O)C1)C(=O)[O-]	ZINC001573356463	963007954	/nfs/dbraw/zinc/00/79/54/963007954.db2.gz	BWAYWOFQMNLKGS-OUAUKWLOSA-N	-1	0	282.340	0.814	20	30		CCEDRM
C[C@@H](C(=O)Nc1ccc(C(=O)[O-])cn1)n1cnc(C#N)n1	ZINC001573363007	963046398	/nfs/dbraw/zinc/04/63/98/963046398.db2.gz	IFJHNANKRXTQLA-ZETCQYMHSA-N	-1	0	286.251	0.443	20	30		CCEDRM
C=C[C@@H]1OCC[C@H]1C(=O)N(C)[C@H](COC(C)C)C(=O)[O-]	ZINC001573379499	963108490	/nfs/dbraw/zinc/10/84/90/963108490.db2.gz	LASDDKJSOQPBFK-UTUOFQBUSA-N	-1	0	285.340	0.914	20	30		CCEDRM
C=C[C@@H]1OCC[C@H]1C(=O)N(CCOC)CC(=O)[O-]	ZINC001573379431	963108520	/nfs/dbraw/zinc/10/85/20/963108520.db2.gz	IAZVPLKHEWMTER-ZJUUUORDSA-N	-1	0	257.286	0.137	20	30		CCEDRM
N#CCNS(=O)(=O)c1ccc(C(=O)[O-])c(F)c1	ZINC000304343442	963138266	/nfs/dbraw/zinc/13/82/66/963138266.db2.gz	BQRDFBUFVZBOOA-UHFFFAOYSA-N	-1	0	258.230	0.326	20	30		CCEDRM
C#CCN(CC#N)S(=O)(=O)c1ccc(C(=O)[O-])s1	ZINC000305900273	963158419	/nfs/dbraw/zinc/15/84/19/963158419.db2.gz	AUMGUMGMNMJLHR-UHFFFAOYSA-N	-1	0	284.318	0.594	20	30		CCEDRM
N#CC[C@H](C(=O)NC[C@H](O)CC(=O)[O-])c1ccccc1	ZINC001571005763	963243868	/nfs/dbraw/zinc/24/38/68/963243868.db2.gz	ZDABSIYVGBTNGO-NEPJUHHUSA-N	-1	0	276.292	0.636	20	30		CCEDRM
Cn1nc(C(=O)[O-])cc1NC(=O)[C@]1(C#N)CCCOC1	ZINC001571009146	963267819	/nfs/dbraw/zinc/26/78/19/963267819.db2.gz	NQXMESJRHVGOTH-LBPRGKRZSA-N	-1	0	278.268	0.377	20	30		CCEDRM
C[C@@H]1CN(S(=O)(=O)c2ccc(C#N)o2)C[C@H]1C(=O)[O-]	ZINC001571024168	963356773	/nfs/dbraw/zinc/35/67/73/963356773.db2.gz	XPUCUXMQNNIQHW-VXNVDRBHSA-N	-1	0	284.293	0.492	20	30		CCEDRM
C=CCOCCNC(=O)N1CC[C@H](C(=O)[O-])[C@@H]1C	ZINC000310674728	963423782	/nfs/dbraw/zinc/42/37/82/963423782.db2.gz	PBRJTFLWTZLQOY-UWVGGRQHSA-N	-1	0	256.302	0.694	20	30		CCEDRM
C#CCCCCCC(=O)N1CC[C@@](O)(C(=O)[O-])C1	ZINC001588440778	964045348	/nfs/dbraw/zinc/04/53/48/964045348.db2.gz	QDDDJRNGOQIERJ-ZDUSSCGKSA-N	-1	0	253.298	0.618	20	30		CCEDRM
C=C(C)C[C@@H]1NC(=O)N([C@H]2C[C@@H](C(=O)[O-])C2)C1=O	ZINC001588441056	964048283	/nfs/dbraw/zinc/04/82/83/964048283.db2.gz	DRCHVOGIJYCDDI-YIZRAAEISA-N	-1	0	252.270	0.736	20	30		CCEDRM
C#CCN(CC(=O)[O-])C(=O)NCc1scnc1C	ZINC000092491630	967597170	/nfs/dbraw/zinc/59/71/70/967597170.db2.gz	JZJNZQTZZNDYPV-UHFFFAOYSA-N	-1	0	267.310	0.681	20	30		CCEDRM
CC#CCN1CCC[C@H](NC(=O)C(F)(F)F)[C@@H]1C(=O)[O-]	ZINC001588478500	969884070	/nfs/dbraw/zinc/88/40/70/969884070.db2.gz	CSTVUOVPUDSOKN-DTWKUNHWSA-N	-1	0	292.257	0.606	20	30		CCEDRM
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C[C@@]1(C(=O)[O-])CCN(C(=O)C(=O)N2CCC[C@H](C#N)C2)C1	ZINC001603297497	972571167	/nfs/dbraw/zinc/57/11/67/972571167.db2.gz	ZXJBWWBNPUZSBG-QMTHXVAHSA-N	-1	0	293.323	0.072	20	30		CCEDRM
CC1(C)C[C@@]1(C#N)NC(=O)c1cccn(CC(=O)[O-])c1=O	ZINC001603322997	972655555	/nfs/dbraw/zinc/65/55/55/972655555.db2.gz	SNSKHYJTRNRVOJ-AWEZNQCLSA-N	-1	0	289.291	0.355	20	30		CCEDRM
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COC(=O)CCN(CC(=O)[O-])C(=O)C#CC(C)(C)C	ZINC001604303237	972944935	/nfs/dbraw/zinc/94/49/35/972944935.db2.gz	JVSDXDYEMUPKAY-UHFFFAOYSA-N	-1	0	269.297	0.512	20	30		CCEDRM
C=CCOc1ccccc1C(=O)NC[C@@H](O)CC(=O)[O-]	ZINC000398316798	973114408	/nfs/dbraw/zinc/11/44/08/973114408.db2.gz	UGYRMSIMOODHNT-JTQLQIEISA-N	-1	0	279.292	0.817	20	30		CCEDRM
O=C([O-])CCCNC(=O)c1cccc(C#CCO)c1	ZINC001606179460	973426388	/nfs/dbraw/zinc/42/63/88/973426388.db2.gz	MQFZSEFOIZXVPX-UHFFFAOYSA-N	-1	0	261.277	0.625	20	30		CCEDRM
COCC#CC(=O)N[C@H](C(=O)[O-])c1cccc(C)c1	ZINC001604505247	973433174	/nfs/dbraw/zinc/43/31/74/973433174.db2.gz	SIEOGZWCIQUOAU-ZDUSSCGKSA-N	-1	0	261.277	0.887	20	30		CCEDRM
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COC[C@]1(C(=O)[O-])CCN(C(=O)CCCC#N)C1	ZINC001604526013	973476660	/nfs/dbraw/zinc/47/66/60/973476660.db2.gz	DPXSRONILDBWNO-LBPRGKRZSA-N	-1	0	254.286	0.630	20	30		CCEDRM
O=C([O-])[C@@H]1C[C@@H](O)CN(C(=O)C#Cc2ccccc2)C1	ZINC000401909816	973523363	/nfs/dbraw/zinc/52/33/63/973523363.db2.gz	SORSRONDXSJYNQ-CHWSQXEVSA-N	-1	0	273.288	0.332	20	30		CCEDRM
Cc1cc(N2C[C@@H](O)C[C@H](C(=O)[O-])C2)cc(C#N)n1	ZINC000401921122	973535324	/nfs/dbraw/zinc/53/53/24/973535324.db2.gz	IYLPUXCZNYHZJP-CABZTGNLSA-N	-1	0	261.281	0.534	20	30		CCEDRM
COCc1nc(COC(=O)[C@@](C)(C#N)CC(=O)[O-])no1	ZINC001604648816	973781775	/nfs/dbraw/zinc/78/17/75/973781775.db2.gz	RYQHQNSNCROBAB-LLVKDONJSA-N	-1	0	283.240	0.264	20	30		CCEDRM
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N#Cc1ccncc1C(=O)NCC1(C(=O)[O-])CCC1	ZINC001605622817	973943818	/nfs/dbraw/zinc/94/38/18/973943818.db2.gz	CGQRDQQYPVWEBO-UHFFFAOYSA-N	-1	0	259.265	0.938	20	30		CCEDRM
CCCNC(=O)[C@H](C)NC(=O)[C@](C)(C#N)CC(=O)[O-]	ZINC001603674607	974058444	/nfs/dbraw/zinc/05/84/44/974058444.db2.gz	OAKKVKKSZGHURL-UFBFGSQYSA-N	-1	0	269.301	0.022	20	30		CCEDRM
CCc1nnc(COC(=O)[C@@](C)(C#N)CC(=O)[O-])[nH]1	ZINC001603984140	974488626	/nfs/dbraw/zinc/48/86/26/974488626.db2.gz	ZIIFLWSVEWNWIX-LLVKDONJSA-N	-1	0	266.257	0.415	20	30		CCEDRM
C[C@@H](CC#N)C(=O)N[C@@](C)(Cn1cccn1)C(=O)[O-]	ZINC001592211685	977263387	/nfs/dbraw/zinc/26/33/87/977263387.db2.gz	MNLATGRGCDUXMB-CABZTGNLSA-N	-1	0	264.285	0.392	20	30		CCEDRM
C[C@@H](/C=C/C(=O)[O-])NS(=O)(=O)c1cncc(C#N)c1	ZINC001592211777	977264069	/nfs/dbraw/zinc/26/40/69/977264069.db2.gz	MWGASXXLDIDORV-SGJFDWMWSA-N	-1	0	281.293	0.261	20	30		CCEDRM
C[C@H](CC(=O)[O-])CC(=O)N1CCO[C@](C)(C#N)C1	ZINC001592375960	977915045	/nfs/dbraw/zinc/91/50/45/977915045.db2.gz	YHJDWNSFHXMMCU-JOYOIKCWSA-N	-1	0	254.286	0.628	20	30		CCEDRM
CC[C@H](C(=O)N(CC#N)CC(=O)[O-])N1CCO[C@H](CC)C1	ZINC001595484124	981217095	/nfs/dbraw/zinc/21/70/95/981217095.db2.gz	NTEYWYQQGPOUKA-VXGBXAGGSA-N	-1	0	297.355	0.313	20	30		CCEDRM
CCC[C@@H](C#N)NC(=O)Cn1ccc(C(=O)[O-])n1	ZINC001595531900	981368960	/nfs/dbraw/zinc/36/89/60/981368960.db2.gz	BDZGQZOASJRCJK-QMMMGPOBSA-N	-1	0	250.258	0.390	20	30		CCEDRM
CC[C@H](C(=O)[O-])C(=O)N1C[C@@H](C)N(CC#N)[C@H](C)C1	ZINC001594740268	981598197	/nfs/dbraw/zinc/59/81/97/981598197.db2.gz	JYOGTNHYNKYOOO-MXWKQRLJSA-N	-1	0	267.329	0.542	20	30		CCEDRM
CC[C@@H](C(=O)[O-])C(=O)N1C[C@@H](C)N(CC#N)[C@@H](C)C1	ZINC001594740269	981598793	/nfs/dbraw/zinc/59/87/93/981598793.db2.gz	JYOGTNHYNKYOOO-OUAUKWLOSA-N	-1	0	267.329	0.542	20	30		CCEDRM
CC[C@H](C(=O)[O-])C(=O)NC1CCN(CC#N)CC1	ZINC001594749178	981648474	/nfs/dbraw/zinc/64/84/74/981648474.db2.gz	PPIBSERCRHMAFM-JTQLQIEISA-N	-1	0	253.302	0.201	20	30		CCEDRM
CC[C@@](C)(C#N)C(=O)N[C@@H](CC1OCCO1)C(=O)[O-]	ZINC001594778145	981772743	/nfs/dbraw/zinc/77/27/43/981772743.db2.gz	IZWZLTVPOGLWCB-UFBFGSQYSA-N	-1	0	270.285	0.259	20	30		CCEDRM
CCCCCC[C@](O)(CN1CCO[C@@H](C#N)C1)C(=O)[O-]	ZINC001595696504	982229835	/nfs/dbraw/zinc/22/98/35/982229835.db2.gz	JTSVLUBHDNQIPM-JSGCOSHPSA-N	-1	0	284.356	0.997	20	30		CCEDRM
CC[C@H](C)[C@@H](NC(=O)[C@H](C)n1cnc(C#N)n1)C(=O)[O-]	ZINC001594883926	982257625	/nfs/dbraw/zinc/25/76/25/982257625.db2.gz	DAYAPWFWICYUQR-OYNCUSHFSA-N	-1	0	279.300	0.326	20	30		CCEDRM
CCCCCCCS(=O)(=O)N1CC(O)(C(=O)[O-])C1	ZINC001595709075	982290267	/nfs/dbraw/zinc/29/02/67/982290267.db2.gz	SNHAWXUWPQTSSL-UHFFFAOYSA-N	-1	0	279.358	0.418	20	30		CCEDRM
CC[C@@H](C)[C@H](NC(=O)COC(=O)C#CC1CC1)C(=O)[O-]	ZINC001594898105	982346825	/nfs/dbraw/zinc/34/68/25/982346825.db2.gz	UGXOVVNMDLNBNT-RNCFNFMXSA-N	-1	0	281.308	0.559	20	30		CCEDRM
CC[C@@H](C)[C@H](NC(=O)COc1cnc(C#N)nc1)C(=O)[O-]	ZINC001594903559	982371986	/nfs/dbraw/zinc/37/19/86/982371986.db2.gz	UDJTVAHNOKRBED-PELKAZGASA-N	-1	0	292.295	0.343	20	30		CCEDRM
C#C[C@](C)(CC)NC(=O)Cn1cccc(C(=O)[O-])c1=O	ZINC001588367449	983299678	/nfs/dbraw/zinc/29/96/78/983299678.db2.gz	TZKAQDRFNGXDBW-CQSZACIVSA-N	-1	0	276.292	0.465	20	30		CCEDRM
C#C[C@@H](C)NS(=O)(=O)c1ccc(Cl)nc1C(=O)[O-]	ZINC001588368438	983306602	/nfs/dbraw/zinc/30/66/02/983306602.db2.gz	MXFWZBWJXCTDSO-ZCFIWIBFSA-N	-1	0	288.712	0.733	20	30		CCEDRM
C#C[C@H](C)NS(=O)(=O)c1cccnc1C(=O)[O-]	ZINC001588369841	983318177	/nfs/dbraw/zinc/31/81/77/983318177.db2.gz	YNFRTLRDJCMZIF-ZETCQYMHSA-N	-1	0	254.267	0.080	20	30		CCEDRM
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C=C[C@@H](COC)NC(=O)N1CCO[C@@H](CC(=O)[O-])C1	ZINC001588692740	983885081	/nfs/dbraw/zinc/88/50/81/983885081.db2.gz	JAONDUPZHOCQRM-UWVGGRQHSA-N	-1	0	272.301	0.073	20	30		CCEDRM
CCN(Cn1nc(C(=O)[O-])ccc1=O)[C@H](C)C#N	ZINC001596380775	983904875	/nfs/dbraw/zinc/90/48/75/983904875.db2.gz	ZHIAABLPNQUOIJ-MRVPVSSYSA-N	-1	0	250.258	0.133	20	30		CCEDRM
C=C[C@H](O)C(=O)N1C[C@H](C(=O)[O-])Oc2cc(F)ccc21	ZINC001588702050	983918391	/nfs/dbraw/zinc/91/83/91/983918391.db2.gz	HLKLFCDCSWYZRR-GXSJLCMTSA-N	-1	0	281.239	0.551	20	30		CCEDRM
C=C[C@@H](OC(=O)[C@@H](C)NC(=O)c1ccccc1)C(=O)[O-]	ZINC001588705406	983926954	/nfs/dbraw/zinc/92/69/54/983926954.db2.gz	MWUGAFXUPLQQOB-MWLCHTKSSA-N	-1	0	277.276	0.987	20	30		CCEDRM
C=C[C@@H](OC(=O)COCc1ccccn1)C(=O)[O-]	ZINC001588710851	983934471	/nfs/dbraw/zinc/93/44/71/983934471.db2.gz	JDVGKCSEPOXORV-SNVBAGLBSA-N	-1	0	251.238	0.781	20	30		CCEDRM
C=C[C@H](OC(=O)c1cnc(C(=O)[O-])cn1)C(=O)OCC	ZINC001588713344	983948598	/nfs/dbraw/zinc/94/85/98/983948598.db2.gz	VCEHYFVNGXIVBA-VIFPVBQESA-N	-1	0	280.236	0.449	20	30		CCEDRM
C=C[C@@H](Sc1nnc(-n2nc(C)cc2C)n1N)C(=O)[O-]	ZINC001588714414	983951814	/nfs/dbraw/zinc/95/18/14/983951814.db2.gz	GRMLTBXUVILFNW-MRVPVSSYSA-N	-1	0	294.340	0.526	20	30		CCEDRM
C=CCC(C)(C)C(=O)NC1CN(C(=O)[C@@H]2C[C@@H]2C(=O)[O-])C1	ZINC001588732246	984017090	/nfs/dbraw/zinc/01/70/90/984017090.db2.gz	XKASBGUYPHVMLO-MNOVXSKESA-N	-1	0	294.351	0.636	20	30		CCEDRM
C=CC[C@@H](NC(=O)N1CC(O)(C(=O)[O-])C1)c1ccncc1	ZINC001588742528	984033353	/nfs/dbraw/zinc/03/33/53/984033353.db2.gz	FWPXQBOPVCKHAO-LLVKDONJSA-N	-1	0	291.307	0.540	20	30		CCEDRM
C=CC[C@@H](CO)NC(=O)[C@H]1CCCC[C@H]1C(=O)[O-]	ZINC001588744732	984045299	/nfs/dbraw/zinc/04/52/99/984045299.db2.gz	QCAFIOCPYIWWJO-GARJFASQSA-N	-1	0	255.314	0.931	20	30		CCEDRM
C=CC[C@H](N[C@@H](C[C@@H]1CCCO1)C(=O)OC)C(=O)[O-]	ZINC001588746775	984060057	/nfs/dbraw/zinc/06/00/57/984060057.db2.gz	WCJZCBHLQYJJLS-DCAQKATOSA-N	-1	0	271.313	0.716	20	30		CCEDRM
C=CC[C@@H](OC(=O)[C@@H]1COCCN1CC(F)F)C(=O)[O-]	ZINC001588753640	984087568	/nfs/dbraw/zinc/08/75/68/984087568.db2.gz	LDVGKPRHQBZCOE-DTWKUNHWSA-N	-1	0	293.266	0.525	20	30		CCEDRM
C=CC[C@H](OC(=O)CCc1nc(C)no1)C(=O)[O-]	ZINC001588753822	984089428	/nfs/dbraw/zinc/08/94/28/984089428.db2.gz	OAVFAYMRJATOOF-QMMMGPOBSA-N	-1	0	254.242	0.883	20	30		CCEDRM
C=CC[C@@H](OC(=O)[C@@H]1CCCS1(=O)=O)C(=O)[O-]	ZINC001588753893	984089742	/nfs/dbraw/zinc/08/97/42/984089742.db2.gz	POTFLEFXKNSRSZ-SFYZADRCSA-N	-1	0	262.283	0.136	20	30		CCEDRM
C=CC[C@@H]1CCN1C(=O)C(=O)Nc1cc(C(=O)[O-])n(C)c1	ZINC001588772998	984146435	/nfs/dbraw/zinc/14/64/35/984146435.db2.gz	UEFUACMDJPJYFF-SNVBAGLBSA-N	-1	0	291.307	0.839	20	30		CCEDRM
C=CCCC(=O)NC[C@H](O)CNc1ncc(C(=O)[O-])cn1	ZINC001588773853	984149910	/nfs/dbraw/zinc/14/99/10/984149910.db2.gz	LNCWVHKKDVHXKK-JTQLQIEISA-N	-1	0	294.311	0.030	20	30		CCEDRM
C=CCCC(=O)NC[C@H]1C[C@H](NC(=O)[C@H]2C[C@H]2C(=O)[O-])C1	ZINC001588776865	984154102	/nfs/dbraw/zinc/15/41/02/984154102.db2.gz	LAMAQPYBGKHEIW-FIQHERPVSA-N	-1	0	294.351	0.684	20	30		CCEDRM
C=CCC[C@@H](CO)NS(=O)(=O)CC1(C(=O)[O-])CCC1	ZINC001588778221	984159849	/nfs/dbraw/zinc/15/98/49/984159849.db2.gz	YDWGSHKCXDQNGZ-JTQLQIEISA-N	-1	0	291.369	0.488	20	30		CCEDRM
C=CCC[C@H](O)Cn1cc(CN2CCC[C@H]2C(=O)[O-])nn1	ZINC001588778782	984163167	/nfs/dbraw/zinc/16/31/67/984163167.db2.gz	LXNQPOCTNVVZLM-STQMWFEESA-N	-1	0	294.355	0.654	20	30		CCEDRM
CCNC(=O)C1CN(c2ccc(C(=O)[O-])nc2C#N)C1	ZINC001596456571	984163634	/nfs/dbraw/zinc/16/36/34/984163634.db2.gz	UBYKPZVEEOBKNE-UHFFFAOYSA-N	-1	0	274.280	0.224	20	30		CCEDRM
C=CCCC[C@@H](NC(=O)[C@@H](C)n1cnc(C#N)n1)C(=O)[O-]	ZINC001588785377	984179849	/nfs/dbraw/zinc/17/98/49/984179849.db2.gz	GCTQXKVOMBHUJI-NXEZZACHSA-N	-1	0	291.311	0.636	20	30		CCEDRM
C=CCCC[C@H](NC(=O)[C@@H]1C[C@H]1[N+](=O)[O-])C(=O)[O-]	ZINC001588794444	984227158	/nfs/dbraw/zinc/22/71/58/984227158.db2.gz	UOGPPWUIXBQTHU-HRDYMLBCSA-N	-1	0	256.258	0.577	20	30		CCEDRM
C=CCCN(C)C(=O)C(=O)NCc1ncc(C(=O)[O-])s1	ZINC001588805859	984256671	/nfs/dbraw/zinc/25/66/71/984256671.db2.gz	QUSGLWXANPVQPX-UHFFFAOYSA-N	-1	0	297.336	0.492	20	30		CCEDRM
C=CCCO[C@H](C)C(=O)NC[C@H]1CCO[C@H]1C(=O)[O-]	ZINC001588808716	984262981	/nfs/dbraw/zinc/26/29/81/984262981.db2.gz	LZQYKGOEEWYDNK-GMTAPVOTSA-N	-1	0	271.313	0.574	20	30		CCEDRM
C=CCCOCCN1C(=O)[C@@H]2CC[C@H](C(=O)[O-])CN2C1=O	ZINC001588810438	984267004	/nfs/dbraw/zinc/26/70/04/984267004.db2.gz	QMADKNRIPLQISV-QWRGUYRKSA-N	-1	0	296.323	0.707	20	30		CCEDRM
CCOC(=O)[C@@H](C(=O)N(CC#N)CC(=O)[O-])C(C)C	ZINC001596509204	984269164	/nfs/dbraw/zinc/26/91/64/984269164.db2.gz	CXDVNQLIAFLYJG-SNVBAGLBSA-N	-1	0	270.285	0.258	20	30		CCEDRM
C=CCCn1cc(CN(CC(=O)[O-])C2CCOCC2)nn1	ZINC001588817405	984275948	/nfs/dbraw/zinc/27/59/48/984275948.db2.gz	KBGOVWUPVDDEMU-UHFFFAOYSA-N	-1	0	294.355	0.920	20	30		CCEDRM
C=CCN1CC[C@@H](OC(=O)[C@H]2C[C@@H](C)[C@H](C(=O)[O-])O2)C1=O	ZINC001588839533	984347643	/nfs/dbraw/zinc/34/76/43/984347643.db2.gz	SXIMPQJTXCGEFH-GWOFURMSSA-N	-1	0	297.307	0.195	20	30		CCEDRM
C=CCNC(=O)[C@@H](C)OC(=O)c1ccncc1C(=O)[O-]	ZINC001588839790	984349303	/nfs/dbraw/zinc/34/93/03/984349303.db2.gz	VPXZGCGANFSDPT-MRVPVSSYSA-N	-1	0	278.264	0.627	20	30		CCEDRM
C=CCNC(=O)CNC(=O)c1ccc(C(=O)[O-])cc1F	ZINC001588844751	984359758	/nfs/dbraw/zinc/35/97/58/984359758.db2.gz	SAUNDMLHLZPTOB-UHFFFAOYSA-N	-1	0	280.255	0.556	20	30		CCEDRM
C=CCOC[C@H](NC(=O)[C@@H](C)C(F)(F)F)C(=O)[O-]	ZINC001588850959	984382078	/nfs/dbraw/zinc/38/20/78/984382078.db2.gz	LXKGDAWDPRDNOC-RQJHMYQMSA-N	-1	0	269.219	0.957	20	30		CCEDRM
C=CCOC[C@H](NC(=O)[C@H]1CC12CCC2)C(=O)[O-]	ZINC001588856027	984396659	/nfs/dbraw/zinc/39/66/59/984396659.db2.gz	UOWQRHXLEIQYPE-ZJUUUORDSA-N	-1	0	253.298	0.949	20	30		CCEDRM
C=CCOC[C@@H](NC(=O)[C@@H]1CC1(Cl)Cl)C(=O)[O-]	ZINC001588856267	984398266	/nfs/dbraw/zinc/39/82/66/984398266.db2.gz	XINHDQWDIAXWDT-NKWVEPMBSA-N	-1	0	282.123	0.952	20	30		CCEDRM
C=CCOC[C@H](NC(=O)[C@@](C)(O)c1ccccc1)C(=O)[O-]	ZINC001588856532	984401014	/nfs/dbraw/zinc/40/10/14/984401014.db2.gz	LQSLTYXMASWTLE-WFASDCNBSA-N	-1	0	293.319	0.666	20	30		CCEDRM
C=CCOC[C@H](NC(=O)c1cc(CC)nnc1C)C(=O)[O-]	ZINC001588859238	984404450	/nfs/dbraw/zinc/40/44/50/984404450.db2.gz	FDJUMNRJCQSIJM-LBPRGKRZSA-N	-1	0	293.323	0.733	20	30		CCEDRM
C=CCOC[C@@H](NC(=O)c1cc(C(=O)OC)co1)C(=O)[O-]	ZINC001588859479	984405932	/nfs/dbraw/zinc/40/59/32/984405932.db2.gz	NAAMWTTXLRAYRO-SECBINFHSA-N	-1	0	297.263	0.452	20	30		CCEDRM
C=CCOC[C@@H](NC(=O)c1cc(F)c[nH]c1=O)C(=O)[O-]	ZINC001588859587	984406887	/nfs/dbraw/zinc/40/68/87/984406887.db2.gz	QQNPYVGKKBGPHQ-SECBINFHSA-N	-1	0	284.243	0.312	20	30		CCEDRM
C=CCOC[C@@H](NC(=O)c1cc(C(F)F)n[nH]1)C(=O)[O-]	ZINC001588859681	984407498	/nfs/dbraw/zinc/40/74/98/984407498.db2.gz	STKGBLMBSVYXMN-MRVPVSSYSA-N	-1	0	289.238	0.733	20	30		CCEDRM
C=CCOC[C@H](NC(=O)c1cc[nH]c(=O)c1)C(=O)[O-]	ZINC001588859750	984408223	/nfs/dbraw/zinc/40/82/23/984408223.db2.gz	VSDSTPBPIZYSCS-VIFPVBQESA-N	-1	0	266.253	0.173	20	30		CCEDRM
C=CCOC[C@H](NS(=O)(=O)C1CCC1)C(=O)[O-]	ZINC001588865835	984420728	/nfs/dbraw/zinc/42/07/28/984420728.db2.gz	CTMYSEXOJZZBBP-VIFPVBQESA-N	-1	0	263.315	0.114	20	30		CCEDRM
C=CCONC(=O)Nc1cnn(C(C)(C)C(=O)[O-])c1	ZINC001588868701	984434901	/nfs/dbraw/zinc/43/49/01/984434901.db2.gz	QZEWVQASHBKGBY-UHFFFAOYSA-N	-1	0	268.273	0.942	20	30		CCEDRM
C=CCOCCN1CC[C@@H](C(=O)[O-])C[C@H]1C(=O)OC	ZINC001588868883	984435833	/nfs/dbraw/zinc/43/58/33/984435833.db2.gz	FGMPIIPQHZEAMH-MNOVXSKESA-N	-1	0	271.313	0.527	20	30		CCEDRM
C=CCn1c(C[C@H](C)O)nnc1N1CCC(C(=O)[O-])CC1	ZINC001588901621	984524797	/nfs/dbraw/zinc/52/47/97/984524797.db2.gz	XKCSRSVNZZXHIX-JTQLQIEISA-N	-1	0	294.355	0.688	20	30		CCEDRM
C=CCn1cnn(CN2C[C@H]3[C@H](C(=O)[O-])[C@H]3C2)c1=S	ZINC001588908982	984541101	/nfs/dbraw/zinc/54/11/01/984541101.db2.gz	COJLOQZRLIKTLL-MYJAWHEDSA-N	-1	0	280.353	0.820	20	30		CCEDRM
C=CCn1cc(C(=O)N[C@@H](C(=O)[O-])[C@@H](C)CC)nn1	ZINC001588909808	984545851	/nfs/dbraw/zinc/54/58/51/984545851.db2.gz	AXWSWAXPKAZPRB-WCBMZHEXSA-N	-1	0	266.301	0.693	20	30		CCEDRM
C=CCn1nnnc1N1CC[C@@H](C(=O)[O-])[C@@H](C)C1	ZINC001588912342	984550974	/nfs/dbraw/zinc/55/09/74/984550974.db2.gz	GUUOFSHLCJAMIC-DTWKUNHWSA-N	-1	0	251.290	0.406	20	30		CCEDRM
C=C[C@@H]1OCCC[C@H]1NC(=O)Cn1cc(C(=O)[O-])cn1	ZINC001588913450	984554950	/nfs/dbraw/zinc/55/49/50/984554950.db2.gz	CLWGLANHRISHII-MNOVXSKESA-N	-1	0	279.296	0.431	20	30		CCEDRM
C=C[C@@H]1OCC[C@H]1C(=O)OCC(=O)C(C)(C)C(=O)[O-]	ZINC001588916318	984559863	/nfs/dbraw/zinc/55/98/63/984559863.db2.gz	FVLMQQDKPAXZGL-BDAKNGLRSA-N	-1	0	270.281	0.801	20	30		CCEDRM
CC#CC[C@@H](CO)NC(=O)c1ccsc1CC(=O)[O-]	ZINC001588926146	984591424	/nfs/dbraw/zinc/59/14/24/984591424.db2.gz	KWOHVPIEEGHGGR-VIFPVBQESA-N	-1	0	281.333	0.879	20	30		CCEDRM
CC(=NNCCS(C)(=O)=O)c1cc(C(=O)[O-])co1	ZINC001589016701	984997532	/nfs/dbraw/zinc/99/75/32/984997532.db2.gz	GBYLOCQRFBPPKV-UHFFFAOYSA-N	-1	0	274.298	0.336	20	30		CCEDRM
CCO[C@@H](C(=O)N(CC#N)CCC(=O)[O-])[C@@H]1CCOC1	ZINC001596761355	985152979	/nfs/dbraw/zinc/15/29/79/985152979.db2.gz	RFEQEIWIRZDASB-ZYHUDNBSSA-N	-1	0	284.312	0.255	20	30		CCEDRM
CC(=O)NC1CCN(c2ccc(C(=O)[O-])nc2C#N)CC1	ZINC001589121420	985394361	/nfs/dbraw/zinc/39/43/61/985394361.db2.gz	RFTXOGWCVKSKMD-UHFFFAOYSA-N	-1	0	288.307	0.756	20	30		CCEDRM
Cc1[nH]c(C#N)cc1C(=O)N1CCSC[C@H]1C(=O)[O-]	ZINC001599942504	985472110	/nfs/dbraw/zinc/47/21/10/985472110.db2.gz	NAYHZJULIQYOAU-JTQLQIEISA-N	-1	0	279.321	0.837	20	30		CCEDRM
Cc1[nH]c(C#N)cc1C(=O)N[C@@]1(CC(=O)[O-])CCCOC1	ZINC001599942559	985473349	/nfs/dbraw/zinc/47/33/49/985473349.db2.gz	OREDPDYYNXTKLX-CQSZACIVSA-N	-1	0	291.307	0.949	20	30		CCEDRM
Cc1c(C#N)c(NC(=O)Cn2ccc(C(=O)[O-])n2)nn1C	ZINC001599973098	986042739	/nfs/dbraw/zinc/04/27/39/986042739.db2.gz	HXRPKOSGKDTYAT-UHFFFAOYSA-N	-1	0	288.267	0.134	20	30		CCEDRM
CCOCCn1cc(C(=O)N(CC#N)CCC(=O)[O-])cn1	ZINC001596945048	986080987	/nfs/dbraw/zinc/08/09/87/986080987.db2.gz	SUKMGDPMLJOMTQ-UHFFFAOYSA-N	-1	0	294.311	0.360	20	30		CCEDRM
C[C@H](C#N)CN(C)S(=O)(=O)CC1(C(=O)[O-])CC1	ZINC001589331019	986181833	/nfs/dbraw/zinc/18/18/33/986181833.db2.gz	YMJIBQQNMOPACJ-MRVPVSSYSA-N	-1	0	260.315	0.272	20	30		CCEDRM
Cc1c(C(=O)[O-])cc(C=NN2C(=O)[C@H](C)N(C)C2=O)n1C	ZINC001599984149	986206977	/nfs/dbraw/zinc/20/69/77/986206977.db2.gz	COOCTRWMSBGQRO-QMMMGPOBSA-N	-1	0	292.295	0.648	20	30		CCEDRM
CC(C)(C#N)CS(=O)(=O)N[C@@H](CCF)C(=O)[O-]	ZINC001589557966	987308442	/nfs/dbraw/zinc/30/84/42/987308442.db2.gz	JMFCBBPKZSPVIR-ZETCQYMHSA-N	-1	0	266.294	0.268	20	30		CCEDRM
CCc1cc(C(=O)N(CC#N)CCC(=O)[O-])cc(=O)[nH]1	ZINC001597426810	987753061	/nfs/dbraw/zinc/75/30/61/987753061.db2.gz	MYYPFITYASOXHP-UHFFFAOYSA-N	-1	0	277.280	0.790	20	30		CCEDRM
CCc1cc(C(=O)N(CC#N)CC(=O)[O-])n(C)n1	ZINC001597427079	987753800	/nfs/dbraw/zinc/75/38/00/987753800.db2.gz	PIVDDDOLOAGCMB-UHFFFAOYSA-N	-1	0	250.258	0.033	20	30		CCEDRM
C[C@@H]1CN(C(=O)CC2(C#N)CCOCC2)C[C@@H](C(=O)[O-])O1	ZINC001599854850	989072575	/nfs/dbraw/zinc/07/25/75/989072575.db2.gz	YXPIHPJBHCTRQS-MNOVXSKESA-N	-1	0	296.323	0.397	20	30		CCEDRM
C[C@@H]1CN(C(=O)c2ccnc(C#N)c2)C[C@H]1C(=O)[O-]	ZINC001599864023	989214236	/nfs/dbraw/zinc/21/42/36/989214236.db2.gz	BEDYJRWMNCZICI-LDYMZIIASA-N	-1	0	259.265	0.746	20	30		CCEDRM
CC(C)(CC#N)CNC(=O)NCCC(=O)NCCC(=O)[O-]	ZINC001590615574	990291104	/nfs/dbraw/zinc/29/11/04/990291104.db2.gz	YGIWORWLGPZSNW-UHFFFAOYSA-N	-1	0	298.343	0.206	20	30		CCEDRM
CN([C@H](C(=O)[O-])c1cccc(C#N)c1)C1CS(=O)(=O)C1	ZINC001598375689	991560570	/nfs/dbraw/zinc/56/05/70/991560570.db2.gz	CTHAZLPYVMMJMO-LBPRGKRZSA-N	-1	0	294.332	0.413	20	30		CCEDRM
CN(CC(=O)NCCC#N)c1ccc(OCC(=O)[O-])cc1	ZINC001598391968	991639287	/nfs/dbraw/zinc/63/92/87/991639287.db2.gz	GQESWJHTYLPYOG-UHFFFAOYSA-N	-1	0	291.307	0.616	20	30		CCEDRM
CN(Cc1cn(C2(C(=O)[O-])CC2)nn1)c1cnc(C#N)cn1	ZINC001598532647	992801504	/nfs/dbraw/zinc/80/15/04/992801504.db2.gz	BBGVHLIRAMIWFR-UHFFFAOYSA-N	-1	0	299.294	0.150	20	30		CCEDRM
C[C@H](C(=O)[O-])n1cccc1C=NN(C)C[C@H](C)O	ZINC001593456402	995357536	/nfs/dbraw/zinc/35/75/36/995357536.db2.gz	FUOTZUBRNPBLLI-VHSXEESVSA-N	-1	0	253.302	0.780	20	30		CCEDRM
C[C@@H](OC(=O)c1cc(C#N)cn1C)C(=O)C(=O)[O-]	ZINC001593554446	995637050	/nfs/dbraw/zinc/63/70/50/995637050.db2.gz	TZQJKXDYUYIYNX-ZCFIWIBFSA-N	-1	0	250.210	0.096	20	30		CCEDRM
COC(=O)[C@@H]1CN(C(=O)C2(C#N)CCCC2)C[C@@H]1C(=O)[O-]	ZINC001598810668	996228693	/nfs/dbraw/zinc/22/86/93/996228693.db2.gz	WUHQZYDDZFMCOQ-VHSXEESVSA-N	-1	0	294.307	0.403	20	30		CCEDRM
C[C@]1(C#N)CN(C(=O)c2ccc(C(=O)[O-])[nH]2)CCO1	ZINC001593742605	996361448	/nfs/dbraw/zinc/36/14/48/996361448.db2.gz	BQYOVYHGZLHXHT-LBPRGKRZSA-N	-1	0	263.253	0.468	20	30		CCEDRM
C[C@]1(C#N)CN(C(=O)c2ccc(C(=O)[O-])cn2)CCO1	ZINC001593743286	996366709	/nfs/dbraw/zinc/36/67/09/996366709.db2.gz	MHNGAIFFLLKEHQ-ZDUSSCGKSA-N	-1	0	275.264	0.534	20	30		CCEDRM
C[C@]1(C#N)CN(c2cc(CC(=O)[O-])ccn2)CCO1	ZINC001593743533	996368940	/nfs/dbraw/zinc/36/89/40/996368940.db2.gz	RZBYXNQQJXEJRG-ZDUSSCGKSA-N	-1	0	261.281	0.828	20	30		CCEDRM
C[C@]1(C(=O)N2CCC(C#N)(C(=O)[O-])CC2)CCC(=O)NC1	ZINC001593745397	996373439	/nfs/dbraw/zinc/37/34/39/996373439.db2.gz	MWOHYXAAGXEOHF-ZDUSSCGKSA-N	-1	0	293.323	0.120	20	30		CCEDRM
COC(=O)[C@H]1CN(c2ccncc2C#N)C[C@@H]1C(=O)[O-]	ZINC001598825240	996374831	/nfs/dbraw/zinc/37/48/31/996374831.db2.gz	CJFGXTOJVMCQQL-UWVGGRQHSA-N	-1	0	275.264	0.263	20	30		CCEDRM
COC(=O)/C=C\c1ccc(C(=O)N(CC#N)CC(=O)[O-])o1	ZINC001598830360	996430187	/nfs/dbraw/zinc/43/01/87/996430187.db2.gz	HXYYGTGOSVDTPN-HYXAFXHYSA-N	-1	0	292.247	0.516	20	30		CCEDRM
COC(=O)CN(CC#N)Cc1ccccc1CC(=O)[O-]	ZINC001598860699	996672357	/nfs/dbraw/zinc/67/23/57/996672357.db2.gz	FFIYZFYTYLQVBL-UHFFFAOYSA-N	-1	0	276.292	0.812	20	30		CCEDRM
CO[C@@]1(C(=O)[O-])CCN(C(=O)c2ccc(C#N)nc2)C1	ZINC001599074015	996826192	/nfs/dbraw/zinc/82/61/92/996826192.db2.gz	VSBLQVBRLQKHAB-ZDUSSCGKSA-N	-1	0	275.264	0.269	20	30		CCEDRM
CO[C@@]1(C(=O)[O-])CCN(C(=O)c2ccsc2C#N)C1	ZINC001599075742	996859543	/nfs/dbraw/zinc/85/95/43/996859543.db2.gz	RPZYNYYFXAIYGK-LBPRGKRZSA-N	-1	0	280.305	0.935	20	30		CCEDRM
COc1cc(C(=O)[O-])sc1S(=O)(=O)N[C@@H](C)C#N	ZINC001599385758	996941581	/nfs/dbraw/zinc/94/15/81/996941581.db2.gz	VXQYYDGETLODCX-YFKPBYRVSA-N	-1	0	290.322	0.645	20	30		CCEDRM
COC[C@H](OC(=O)c1cc(C#N)cn1C)C(=O)[O-]	ZINC001599183261	996981956	/nfs/dbraw/zinc/98/19/56/996981956.db2.gz	KLRFMZWDRMCDAG-VIFPVBQESA-N	-1	0	252.226	0.153	20	30		CCEDRM
COC[C@H](OC)C(=O)O[C@@H](C(=O)[O-])c1ccc(C#N)cc1	ZINC001599186957	997043638	/nfs/dbraw/zinc/04/36/38/997043638.db2.gz	MUUGUOLBNPQOTI-NWDGAFQWSA-N	-1	0	293.275	0.889	20	30		CCEDRM
CC1(C)OC[C@H]2C[C@]21C(=O)N(CC#N)CCC(=O)[O-]	ZINC001593977012	997173484	/nfs/dbraw/zinc/17/34/84/997173484.db2.gz	LIPLFQFBBBISAJ-NOZJJQNGSA-N	-1	0	266.297	0.628	20	30		CCEDRM
COCc1nocc1C(=O)N1CCC(C#N)(C(=O)[O-])CC1	ZINC001599306939	997334447	/nfs/dbraw/zinc/33/44/47/997334447.db2.gz	KGXFTFWFHJBHEZ-UHFFFAOYSA-N	-1	0	293.279	0.652	20	30		CCEDRM
COC1CC(ON=C(N)c2cc(C(=O)[O-])co2)C1	ZINC001599099330	997352054	/nfs/dbraw/zinc/35/20/54/997352054.db2.gz	BMJBBKDISXPPFQ-UHFFFAOYSA-N	-1	0	254.242	0.792	20	30		CCEDRM
CON=CC(=O)N[C@@](C)(Cc1ccc(F)cc1)C(=O)[O-]	ZINC001599320378	997570788	/nfs/dbraw/zinc/57/07/88/997570788.db2.gz	NHWQICVFPJXFDQ-ZDUSSCGKSA-N	-1	0	282.271	0.960	20	30		CCEDRM
CON=CC(=O)Nc1ccc(OC)cc1C(=O)[O-]	ZINC001599320563	997573259	/nfs/dbraw/zinc/57/32/59/997573259.db2.gz	JZGWUAZGUSTAJF-UHFFFAOYSA-N	-1	0	252.226	0.964	20	30		CCEDRM
CON=CC(=O)N(C)Cc1ccc(OCC(=O)[O-])cc1	ZINC001599321012	997581303	/nfs/dbraw/zinc/58/13/03/997581303.db2.gz	YDUQURVVIKNWRD-UHFFFAOYSA-N	-1	0	280.280	0.741	20	30		CCEDRM
COCCN(CC#N)C(=O)c1cccc(OCC(=O)[O-])c1	ZINC001599231564	997868556	/nfs/dbraw/zinc/86/85/56/997868556.db2.gz	VDAWRFRIOMBBJU-UHFFFAOYSA-N	-1	0	292.291	0.762	20	30		CCEDRM
COCC#CC(=O)NC[C@H](Oc1ccc(F)cc1)C(=O)[O-]	ZINC001599138170	998080458	/nfs/dbraw/zinc/08/04/58/998080458.db2.gz	JHWYULQVJTUNSX-LBPRGKRZSA-N	-1	0	295.266	0.424	20	30		CCEDRM
COC[C@](C)(NC(=O)c1coc(C#N)c1)C(=O)[O-]	ZINC001599152544	998316752	/nfs/dbraw/zinc/31/67/52/998316752.db2.gz	GFWGXXFXJWVBLB-NSHDSACASA-N	-1	0	252.226	0.371	20	30		CCEDRM
COC/C(C)=C/C(=O)N1CCC(C#N)(C(=O)[O-])CC1	ZINC001599155809	998370308	/nfs/dbraw/zinc/37/03/08/998370308.db2.gz	OCIXTQZXCNSENP-JXMROGBWSA-N	-1	0	266.297	0.796	20	30		CCEDRM
COC[C@@H](C)NC(=S)NN=Cc1cccn1CC(=O)[O-]	ZINC001599158848	998421556	/nfs/dbraw/zinc/42/15/56/998421556.db2.gz	DPWSAYQPLVSMEJ-SECBINFHSA-N	-1	0	298.368	0.406	20	30		CCEDRM
COC[C@H](CNc1ccc(C(=O)[O-])nc1C#N)OC	ZINC001599165236	998530971	/nfs/dbraw/zinc/53/09/71/998530971.db2.gz	DWMJNZACCFRDCY-QMMMGPOBSA-N	-1	0	265.269	0.725	20	30		CCEDRM
COC[C@H](NC(=O)C#Cc1cccs1)C(=O)[O-]	ZINC001599168558	998578197	/nfs/dbraw/zinc/57/81/97/998578197.db2.gz	BDBRVHDNVWTGBE-VIFPVBQESA-N	-1	0	253.279	0.315	20	30		CCEDRM
Cc1ccc(C(=O)N2CCN(CC#N)CC2)c(O)c1	ZINC000071138083	260159848	/nfs/dbraw/zinc/15/98/48/260159848.db2.gz	WDVWWQPDGQZMDT-UHFFFAOYSA-N	-1	0	259.309	0.982	20	30		CCEDRM
Cc1ncc(S(=O)(=O)[N-]c2ccn(CCC#N)n2)n1C	ZINC000600651129	362027163	/nfs/dbraw/zinc/02/71/63/362027163.db2.gz	WMJZEFBDAQUAOZ-UHFFFAOYSA-N	-1	0	294.340	0.640	20	30		CCEDRM
Cc1cn2c(n1)C[C@H](C(=O)Nc1nc(C#N)c(C#N)[n-]1)CC2	ZINC000600816593	362067713	/nfs/dbraw/zinc/06/77/13/362067713.db2.gz	PFSOMCJNTCNHFB-SECBINFHSA-N	-1	0	295.306	0.859	20	30		CCEDRM
N#CCc1ccc(C(=O)NCCOCC(=O)[O-])cc1	ZINC000600877949	362085359	/nfs/dbraw/zinc/08/53/59/362085359.db2.gz	UDYNZRLIADJLNO-UHFFFAOYSA-N	-1	0	262.265	0.584	20	30		CCEDRM
Cc1cc(F)cc(C#N)c1S(=O)(=O)N1CC(C(=O)[O-])C1	ZINC000600890074	362089637	/nfs/dbraw/zinc/08/96/37/362089637.db2.gz	SSXCCQKNWXCEHP-UHFFFAOYSA-N	-1	0	298.295	0.711	20	30		CCEDRM
N#Cc1cccc(CN=c2[n-]nc(CCO)s2)c1	ZINC000601063691	362142369	/nfs/dbraw/zinc/14/23/69/362142369.db2.gz	HWYZVSIMXIEIPO-UHFFFAOYSA-N	-1	0	260.322	0.979	20	30		CCEDRM
C[C@H](CCCC(=O)[O-])NS(=O)(=O)c1cncc(C#N)c1	ZINC000290453982	197714172	/nfs/dbraw/zinc/71/41/72/197714172.db2.gz	CWXXBDLTXIVPDD-SECBINFHSA-N	-1	0	297.336	0.875	20	30		CCEDRM
CN([C@@H]1CCC[C@H]1C#N)S(=O)(=O)c1ncc[n-]1	ZINC000601510677	362296240	/nfs/dbraw/zinc/29/62/40/362296240.db2.gz	ZCJRFTXXMLZUJD-DTWKUNHWSA-N	-1	0	254.315	0.722	20	30		CCEDRM
N#Cc1ccc(S(=O)(=O)NCCCC(=O)[O-])cn1	ZINC000127099862	187281878	/nfs/dbraw/zinc/28/18/78/187281878.db2.gz	GGBWFJVYVFLKLE-UHFFFAOYSA-N	-1	0	269.282	0.096	20	30		CCEDRM
N#Cc1c[n-][nH]c1=NC(=O)c1ccc(N2CCCC2)nc1	ZINC000601642019	362337109	/nfs/dbraw/zinc/33/71/09/362337109.db2.gz	VNHMPOAJDUVBQZ-UHFFFAOYSA-N	-1	0	282.307	0.951	20	30		CCEDRM
CCCN(CC1CC1)C(=O)Cn1cc(C#N)c(=O)[n-]c1=O	ZINC000602031513	362463613	/nfs/dbraw/zinc/46/36/13/362463613.db2.gz	VAXHLCXYCYYGHA-UHFFFAOYSA-N	-1	0	290.323	0.469	20	30		CCEDRM
N#Cc1cn(CC(=O)N2CCC[C@@H]2C2CC2)c(=O)[n-]c1=O	ZINC000602092260	362481919	/nfs/dbraw/zinc/48/19/19/362481919.db2.gz	VNQXKZAOCDTRBU-LLVKDONJSA-N	-1	0	288.307	0.222	20	30		CCEDRM
C[C@@H]1CC[C@H](C)N1C(=O)Cn1cc(C#N)c(=O)[n-]c1=O	ZINC000602122485	362505253	/nfs/dbraw/zinc/50/52/53/362505253.db2.gz	ZTYMUTLOVBLDQE-DTORHVGOSA-N	-1	0	276.296	0.220	20	30		CCEDRM
CN(CC(C)(C)C#N)C(=O)CCCc1nnn[n-]1	ZINC000602154671	362529945	/nfs/dbraw/zinc/52/99/45/362529945.db2.gz	GYKIMWVEVJWCCJ-UHFFFAOYSA-N	-1	0	250.306	0.531	20	30		CCEDRM
N#Cc1cc(F)ccc1NC(=O)NCc1n[nH]c(=O)[n-]1	ZINC000119491949	349938894	/nfs/dbraw/zinc/93/88/94/349938894.db2.gz	PAJHOIJBZXURSM-UHFFFAOYSA-N	-1	0	276.231	0.430	20	30		CCEDRM
C[C@]1(C(=O)[O-])CCN(S(=O)(=O)c2ccc(C#N)o2)C1	ZINC000262326035	137038144	/nfs/dbraw/zinc/03/81/44/137038144.db2.gz	UDYZSBYLRPSEHK-NSHDSACASA-N	-1	0	284.293	0.637	20	30		CCEDRM
C[C@@H](CC(=O)[O-])NS(=O)(=O)Cc1ccc(C#N)cc1	ZINC000037414830	348187738	/nfs/dbraw/zinc/18/77/38/348187738.db2.gz	RSRIUGBLEKSTNW-VIFPVBQESA-N	-1	0	282.321	0.841	20	30		CCEDRM
CCN(C(=O)N=c1[n-]n(C)cc1C#N)[C@@H]1CC[N@H+](C)C1	ZINC000602886047	362864268	/nfs/dbraw/zinc/86/42/68/362864268.db2.gz	IQWCGRYXFPAOSK-LLVKDONJSA-N	-1	0	276.344	0.272	20	30		CCEDRM
C[C@H]1CCN(C(=O)N=c2[n-]n(C)cc2C#N)C[C@H]1CO	ZINC000602886087	362864849	/nfs/dbraw/zinc/86/48/49/362864849.db2.gz	IYJNPGPHDANXPO-ONGXEEELSA-N	-1	0	277.328	0.196	20	30		CCEDRM
Cn1cc(C#N)c(=NC(=O)N2CC[C@@]3(CC3(F)F)C2)[n-]1	ZINC000602886147	362864971	/nfs/dbraw/zinc/86/49/71/362864971.db2.gz	JQXULUYKVZBRPT-LLVKDONJSA-N	-1	0	281.266	0.977	20	30		CCEDRM
Cn1cc(C#N)c(=NC(=O)NCC[C@H]2CCCOC2)[n-]1	ZINC000602886640	362866013	/nfs/dbraw/zinc/86/60/13/362866013.db2.gz	KWTGWWZWNYFMMA-SNVBAGLBSA-N	-1	0	277.328	0.652	20	30		CCEDRM
Cn1cc(C#N)c(=NC(=O)N2CC[C@H](CCCO)C2)[n-]1	ZINC000602878907	362859154	/nfs/dbraw/zinc/85/91/54/362859154.db2.gz	CIJJQLCEZIUUBW-JTQLQIEISA-N	-1	0	277.328	0.340	20	30		CCEDRM
Cn1cc(C#N)c(=NC(=O)N2OC3CCC2CC3)[n-]1	ZINC000602880628	362860621	/nfs/dbraw/zinc/86/06/21/362860621.db2.gz	HKBMJOWVGDRVKV-UHFFFAOYSA-N	-1	0	261.285	0.804	20	30		CCEDRM
N#Cc1ccc(S(=O)(=O)N2CCO[C@@H](C(=O)[O-])C2)cc1	ZINC000043703066	348312375	/nfs/dbraw/zinc/31/23/75/348312375.db2.gz	QFEQVUWACUSYLG-LLVKDONJSA-N	-1	0	296.304	0.032	20	30		CCEDRM
C[C@@H](OC[C@@H]1CCCO1)C(=O)Nc1nc(C#N)c(C#N)[n-]1	ZINC000069127822	348832705	/nfs/dbraw/zinc/83/27/05/348832705.db2.gz	WHPFLQIFPGQNBP-BDAKNGLRSA-N	-1	0	289.295	0.676	20	30		CCEDRM
Cc1n[nH]cc1[N-]S(=O)(=O)c1ccc(C#N)nc1	ZINC000090231121	349429642	/nfs/dbraw/zinc/42/96/42/349429642.db2.gz	WWFQEEGFUSUMRQ-UHFFFAOYSA-N	-1	0	263.282	0.786	20	30		CCEDRM
N#Cc1ccc(NC(=O)NCc2n[nH]c(=O)[n-]2)cc1	ZINC000128481581	350193804	/nfs/dbraw/zinc/19/38/04/350193804.db2.gz	RBVJGGAFCSIDLX-UHFFFAOYSA-N	-1	0	258.241	0.291	20	30		CCEDRM
N#C[C@H]1CN(S(=O)(=O)c2ccccc2[O-])CCO1	ZINC000128019691	350183319	/nfs/dbraw/zinc/18/33/19/350183319.db2.gz	JUPFVBFJBFQKAN-VIFPVBQESA-N	-1	0	268.294	0.305	20	30		CCEDRM
COC(=O)CCS(=O)(=O)[N-]c1ccc(C#N)cc1OC	ZINC000130227115	350233122	/nfs/dbraw/zinc/23/31/22/350233122.db2.gz	IMGYXXQNSMSVPK-UHFFFAOYSA-N	-1	0	298.320	0.872	20	30		CCEDRM
CC1CCN(CC(=O)Nc2nc(C#N)c(C#N)[n-]2)CC1	ZINC000162713430	350751276	/nfs/dbraw/zinc/75/12/76/350751276.db2.gz	UCBHNDPEWZLSRZ-UHFFFAOYSA-N	-1	0	272.312	0.823	20	30		CCEDRM
N#Cc1ccc(C(=O)NCC2(O)CCOCC2)cc1O	ZINC000188569073	351608218	/nfs/dbraw/zinc/60/82/18/351608218.db2.gz	SOXZEMFELKXADI-UHFFFAOYSA-N	-1	0	276.292	0.535	20	30		CCEDRM
C[C@H](NS(=O)(=O)c1ccc(C#N)nc1)[C@H](C)C(=O)[O-]	ZINC000228698944	352080955	/nfs/dbraw/zinc/08/09/55/352080955.db2.gz	BBFBSUHUUCOYBJ-YUMQZZPRSA-N	-1	0	283.309	0.341	20	30		CCEDRM
Cc1cc(C#N)ccc1S(=O)(=O)NCC(=O)[O-]	ZINC000230275527	352111030	/nfs/dbraw/zinc/11/10/30/352111030.db2.gz	HJNWLLQUVSQJPK-UHFFFAOYSA-N	-1	0	254.267	0.230	20	30		CCEDRM
N#Cc1ccc(S(=O)(=O)N[C@H]2C=C[C@H](C(=O)[O-])C2)s1	ZINC000230325810	352111395	/nfs/dbraw/zinc/11/13/95/352111395.db2.gz	PLMHCUOVEFRPLX-YUMQZZPRSA-N	-1	0	298.345	0.927	20	30		CCEDRM
CCN(CC(=O)[O-])S(=O)(=O)c1ccc(C#N)c(C)c1	ZINC000233427645	352150312	/nfs/dbraw/zinc/15/03/12/352150312.db2.gz	ZUJJYDBKCDYCIY-UHFFFAOYSA-N	-1	0	282.321	0.962	20	30		CCEDRM
N#Cc1cccc(Cn2[n-]c(=O)c3nccnc3c2=O)c1	ZINC000603561052	363147210	/nfs/dbraw/zinc/14/72/10/363147210.db2.gz	QIOFJKSSJXYDSS-UHFFFAOYSA-N	-1	0	279.259	0.812	20	30		CCEDRM
C=CCCS(=O)(=O)N(CCOC)[C@@H](C)C(=O)[O-]	ZINC000275176480	353192411	/nfs/dbraw/zinc/19/24/11/353192411.db2.gz	WBOSQFUFVCVWGK-VIFPVBQESA-N	-1	0	265.331	0.314	20	30		CCEDRM
Cc1cc(C#N)nc(N2CCC[C@@H](c3nc(=O)[n-][nH]3)C2)n1	ZINC000286573103	353596391	/nfs/dbraw/zinc/59/63/91/353596391.db2.gz	VVDLKRKOQBAQKQ-SECBINFHSA-N	-1	0	285.311	0.452	20	30		CCEDRM
C[C@@H]1CCN(S(=O)(=O)c2ccc(C#N)nc2)[C@H]1C(=O)[O-]	ZINC000299900389	354055117	/nfs/dbraw/zinc/05/51/17/354055117.db2.gz	SSYPJUVFFAZQIU-LDYMZIIASA-N	-1	0	295.320	0.437	20	30		CCEDRM
Cn1cccc(N=C([O-])N2C[C@@H]3CC[C@@H](O)[C@@H]3C2)c1=O	ZINC000329576662	354258411	/nfs/dbraw/zinc/25/84/11/354258411.db2.gz	SJWFKZWUWHZYLM-HOSYDEDBSA-N	-1	0	277.324	0.634	20	30		CCEDRM
Cc1c(CN(C)C(=O)N=c2[n-]n(C)cc2C#N)cnn1C	ZINC000619203902	366216347	/nfs/dbraw/zinc/21/63/47/366216347.db2.gz	DFQFDAHQWJZVCA-UHFFFAOYSA-N	-1	0	287.327	0.420	20	30		CCEDRM
Cc1nc(=NC(=O)c2ncc(C#N)cc2C)[n-]n1C	ZINC000557828606	291045467	/nfs/dbraw/zinc/04/54/67/291045467.db2.gz	YFAZGVGRARLQHP-UHFFFAOYSA-N	-1	0	256.269	0.373	20	30		CCEDRM
COc1n[nH]c([N-]S(=O)(=O)c2cnc(C)c(C#N)c2)n1	ZINC000336837620	355209529	/nfs/dbraw/zinc/20/95/29/355209529.db2.gz	LZZIPBIPNVIQMT-UHFFFAOYSA-N	-1	0	294.296	0.189	20	30		CCEDRM
Cc1cc(C(=O)Nc2nc(C#N)c(C#N)[n-]2)n(C)n1	ZINC000345499090	355839363	/nfs/dbraw/zinc/83/93/63/355839363.db2.gz	DLBNTHMNCGOGGK-UHFFFAOYSA-N	-1	0	255.241	0.447	20	30		CCEDRM
N#Cc1nc(NC(=O)[C@H]2CCC[C@H](C(N)=O)C2)[n-]c1C#N	ZINC000348728454	355966739	/nfs/dbraw/zinc/96/67/39/355966739.db2.gz	LAVCFPXQVAMUER-YUMQZZPRSA-N	-1	0	286.295	0.383	20	30		CCEDRM
N#CC[C@H](CC(=O)NCc1nnn[n-]1)c1ccccc1	ZINC000619435990	366251784	/nfs/dbraw/zinc/25/17/84/366251784.db2.gz	YZZCRJMKMMBIFC-LLVKDONJSA-N	-1	0	270.296	0.903	20	30		CCEDRM
Cc1n[n-]c(=NC(=O)NC2CCN(CC#N)CC2)s1	ZINC000609335209	363489789	/nfs/dbraw/zinc/48/97/89/363489789.db2.gz	CMQYKTHQBUPOMV-UHFFFAOYSA-N	-1	0	280.357	0.378	20	30		CCEDRM
Cc1ccc(S(=O)(=O)[N-]c2ncc(C#N)s2)cn1	ZINC000619751067	366348482	/nfs/dbraw/zinc/34/84/82/366348482.db2.gz	GRHWOCWDYRMLGE-UHFFFAOYSA-N	-1	0	280.334	0.941	20	30		CCEDRM
N#Cc1c(C2CC2)[n-][nH]c1=NC(=O)c1cncc(O)c1	ZINC000359724659	356880440	/nfs/dbraw/zinc/88/04/40/356880440.db2.gz	MLGURWWQLOFMIG-UHFFFAOYSA-N	-1	0	269.264	0.934	20	30		CCEDRM
Cn1cc(C#N)c(=NC(=O)NCC2(O)CCCCC2)[n-]1	ZINC000610561931	363575942	/nfs/dbraw/zinc/57/59/42/363575942.db2.gz	SVIJGSBGJPVLCA-UHFFFAOYSA-N	-1	0	277.328	0.530	20	30		CCEDRM
Cn1cc(C#N)c(=NC(=O)NCCC(=O)NC(C)(C)C)[n-]1	ZINC000610565602	363580752	/nfs/dbraw/zinc/58/07/52/363580752.db2.gz	ZVWRAYAQAMSIKR-UHFFFAOYSA-N	-1	0	292.343	0.140	20	30		CCEDRM
Cc1[n-][nH]c(=NC(=O)[C@@H]2Cc3ccccc3C(=O)O2)c1C#N	ZINC000377600211	357593533	/nfs/dbraw/zinc/59/35/33/357593533.db2.gz	IXFYRSJFCOIYLD-LBPRGKRZSA-N	-1	0	296.286	0.732	20	30		CCEDRM
Cn1cc(C#N)c(=NC(=O)NCC2(C)CCOCC2)[n-]1	ZINC000610652575	363590563	/nfs/dbraw/zinc/59/05/63/363590563.db2.gz	HSMUBHGDLOSKDG-UHFFFAOYSA-N	-1	0	277.328	0.652	20	30		CCEDRM
CO[C@@H]1C[C@@H](NC(=O)N=c2[n-]n(C)cc2C#N)C1(C)C	ZINC000610652608	363590888	/nfs/dbraw/zinc/59/08/88/363590888.db2.gz	ZHPPRIMRBDUTKU-NXEZZACHSA-N	-1	0	277.328	0.649	20	30		CCEDRM
CC#CCS(=O)(=O)[N-]C(=O)/C=C/c1ccc(C)nc1	ZINC000493003534	358304821	/nfs/dbraw/zinc/30/48/21/358304821.db2.gz	ICKRAARCOKTEQJ-BQYQJAHWSA-N	-1	0	278.333	0.873	20	30		CCEDRM
CC#CC[C@@H](NS(=O)(=O)[C@H](C)CCOC)C(=O)[O-]	ZINC000541001062	358547685	/nfs/dbraw/zinc/54/76/85/358547685.db2.gz	UPOQIEJERSJRSM-NXEZZACHSA-N	-1	0	277.342	0.197	20	30		CCEDRM
CO[C@@H](CS(=O)(=O)[N-]c1nn(C)cc1C#N)C1CC1	ZINC000569122111	358736515	/nfs/dbraw/zinc/73/65/15/358736515.db2.gz	KLMNPZAPHPIWDU-JTQLQIEISA-N	-1	0	284.341	0.458	20	30		CCEDRM
C=C(C)CS(=O)(=O)N(CC(=O)[O-])Cc1ccccn1	ZINC000572004761	358926801	/nfs/dbraw/zinc/92/68/01/358926801.db2.gz	KPCAFTLEIICBKH-UHFFFAOYSA-N	-1	0	284.337	0.874	20	30		CCEDRM
Cn1cc(C#N)c(=NC(=O)N2CC[C@]3(C2)CCCOC3)[n-]1	ZINC000585797236	359277485	/nfs/dbraw/zinc/27/74/85/359277485.db2.gz	JJWMHZIYZKGPCN-AWEZNQCLSA-N	-1	0	289.339	0.748	20	30		CCEDRM
COC(=O)c1ccc(=NC(=O)N2CC(C)(C#N)C2)[n-]n1	ZINC000585804723	359279528	/nfs/dbraw/zinc/27/95/28/359279528.db2.gz	CDQRZODAKANXCK-UHFFFAOYSA-N	-1	0	275.268	0.062	20	30		CCEDRM
Cn1cc(C#N)c(=NC(=O)NCc2ncccc2F)[n-]1	ZINC000611050012	363653796	/nfs/dbraw/zinc/65/37/96/363653796.db2.gz	WNQHJNFHANHWDR-UHFFFAOYSA-N	-1	0	274.259	0.569	20	30		CCEDRM
Cc1[n-][nH]c(=NC(=O)c2cnccc2N(C)C)c1C#N	ZINC000588714895	359332464	/nfs/dbraw/zinc/33/24/64/359332464.db2.gz	OBIQIEAMLMBGPT-UHFFFAOYSA-N	-1	0	270.296	0.725	20	30		CCEDRM
C[C@]1(C(=O)N=c2[nH][n-]c(C3CC3)c2C#N)CCC(=O)NC1	ZINC000588768016	359336449	/nfs/dbraw/zinc/33/64/49/359336449.db2.gz	KJVXPWWJCKGOFI-AWEZNQCLSA-N	-1	0	287.323	0.435	20	30		CCEDRM
N#Cc1cnc([N-]S(=O)(=O)CCCCF)s1	ZINC000588944134	359351042	/nfs/dbraw/zinc/35/10/42/359351042.db2.gz	HMTHZEGTQTVKMD-UHFFFAOYSA-N	-1	0	263.319	0.928	20	30		CCEDRM
N#CC1(CC(=O)N2CCN(c3nc(N)ns3)CC2)CC1	ZINC000590296862	359435845	/nfs/dbraw/zinc/43/58/45/359435845.db2.gz	UTJIVHGVRIHEQQ-UHFFFAOYSA-N	-1	0	292.368	0.293	20	30		CCEDRM
N#Cc1[n-]c(=NC[C@@]2(O)CCOC2)sc1Cl	ZINC000590581808	359490227	/nfs/dbraw/zinc/49/02/27/359490227.db2.gz	OGLHCEMFKQSALO-VIFPVBQESA-N	-1	0	259.718	0.653	20	30		CCEDRM
CC[C@H](C)[NH+]1CCN(C(=O)N=c2[n-]n(C)cc2C#N)CC1	ZINC000590819751	359526623	/nfs/dbraw/zinc/52/66/23/359526623.db2.gz	UKSFEFOGHWNRAS-NSHDSACASA-N	-1	0	290.371	0.662	20	30		CCEDRM
N#Cc1ccc(S(=O)(=O)NCC2(C(=O)[O-])CC2)cc1F	ZINC000297262891	200129239	/nfs/dbraw/zinc/12/92/39/200129239.db2.gz	RTKCDSGYZNITIB-UHFFFAOYSA-N	-1	0	298.295	0.840	20	30		CCEDRM
CO[C@H](CS(=O)(=O)[N-]c1ncc(C#N)s1)C(C)C	ZINC000592381950	359829540	/nfs/dbraw/zinc/82/95/40/359829540.db2.gz	BHNQWGJMGNPADX-SECBINFHSA-N	-1	0	289.382	0.849	20	30		CCEDRM
C=CCCS(=O)(=O)NCCSC[C@H](C)C(=O)[O-]	ZINC000592447644	359843258	/nfs/dbraw/zinc/84/32/58/359843258.db2.gz	FPZSQECRGKJTTR-VIFPVBQESA-N	-1	0	281.399	0.936	20	30		CCEDRM
N#CCCN1CCN(Cc2cc(=O)n3[n-]ccc3n2)CC1	ZINC000611174610	363670421	/nfs/dbraw/zinc/67/04/21/363670421.db2.gz	ITQCUIMYSLTOFV-UHFFFAOYSA-N	-1	0	286.339	0.054	20	30		CCEDRM
CCCn1cc(C(=O)Nc2nc(C#N)c(C#N)[n-]2)nn1	ZINC000611238624	363692004	/nfs/dbraw/zinc/69/20/04/363692004.db2.gz	WUBOSFYZWMCTIV-UHFFFAOYSA-N	-1	0	270.256	0.407	20	30		CCEDRM
N#CC[C@@]1(O)CCN(C(=O)c2ccc([O-])c([N+](=O)[O-])c2)C1	ZINC000592847618	359953726	/nfs/dbraw/zinc/95/37/26/359953726.db2.gz	NZERGWIWBPNOAI-CYBMUJFWSA-N	-1	0	291.263	0.791	20	30		CCEDRM
Cc1nc(=NC(=O)NCC2(C#N)CCCC2)[n-]n1C	ZINC000593218210	360052531	/nfs/dbraw/zinc/05/25/31/360052531.db2.gz	VQVPBIRXOCLUGO-UHFFFAOYSA-N	-1	0	262.317	0.751	20	30		CCEDRM
N#Cc1ccc(S(=O)(=O)NC[C@H](CC2CC2)C(=O)[O-])o1	ZINC000593272467	360058671	/nfs/dbraw/zinc/05/86/71/360058671.db2.gz	JXBDNLRYUUORGZ-VIFPVBQESA-N	-1	0	298.320	0.930	20	30		CCEDRM
CC[C@@H](C#N)C(=O)N=c1cc(-c2nccn2C)[n-][nH]1	ZINC000593894613	360197248	/nfs/dbraw/zinc/19/72/48/360197248.db2.gz	OZVFWMNAVYWFLD-QMMMGPOBSA-N	-1	0	258.285	0.720	20	30		CCEDRM
CC(=O)NCC(C)(C)C(=O)N=c1[nH][n-]c(C)c1C#N	ZINC000593893780	360197285	/nfs/dbraw/zinc/19/72/85/360197285.db2.gz	AROVUUIRMDJLGN-UHFFFAOYSA-N	-1	0	263.301	0.113	20	30		CCEDRM
CC(C)[C@H](CNC(=O)N1CC[C@@](F)(C#N)C1)C(=O)[O-]	ZINC000594538823	360327004	/nfs/dbraw/zinc/32/70/04/360327004.db2.gz	UZKFSUQPZNDWMB-JOYOIKCWSA-N	-1	0	271.292	0.990	20	30		CCEDRM
C[C@@H](CNC(=O)C(=O)NCc1ccc(C#N)cc1)C(=O)[O-]	ZINC000594540541	360327218	/nfs/dbraw/zinc/32/72/18/360327218.db2.gz	UFROVEDMVLAJKN-VIFPVBQESA-N	-1	0	289.291	0.011	20	30		CCEDRM
COC[C@@H](NC(=O)NCCc1ccc(C#N)cc1)C(=O)[O-]	ZINC000594690996	360361073	/nfs/dbraw/zinc/36/10/73/360361073.db2.gz	OUHSKCDRCGSLOH-GFCCVEGCSA-N	-1	0	291.307	0.500	20	30		CCEDRM
Cn1cc(C#N)c(=NC(=O)N2CCC[C@H]2C(C)(C)O)[n-]1	ZINC000611503832	363728572	/nfs/dbraw/zinc/72/85/72/363728572.db2.gz	YIXCNUSLBXPTTH-JTQLQIEISA-N	-1	0	277.328	0.481	20	30		CCEDRM
C[C@H](CNC(=O)C(=O)NCC1(C#N)CCCCC1)C(=O)[O-]	ZINC000595276027	360474495	/nfs/dbraw/zinc/47/44/95/360474495.db2.gz	JUSXVYMYELTJSX-SNVBAGLBSA-N	-1	0	295.339	0.414	20	30		CCEDRM
CC(C)[C@H](NC(=O)CC1(C#N)CCOCC1)C(=O)[O-]	ZINC000595281545	360477304	/nfs/dbraw/zinc/47/73/04/360477304.db2.gz	MQIKQVJRIXEUNH-NSHDSACASA-N	-1	0	268.313	0.922	20	30		CCEDRM
Cc1ccc(N[C@@H]2C[C@H](C(=O)[O-])C[C@@H]2O)nc1C#N	ZINC000595979067	360754379	/nfs/dbraw/zinc/75/43/79/360754379.db2.gz	QDJJWWQGNNYLSQ-NGZCFLSTSA-N	-1	0	261.281	0.320	20	30		CCEDRM
CCOC(=O)c1cn(C)[n-]c1=NC(=O)N1CC(CC#N)C1	ZINC000596823345	360962405	/nfs/dbraw/zinc/96/24/05/360962405.db2.gz	LLBSWKUDHNCRJH-UHFFFAOYSA-N	-1	0	291.311	0.396	20	30		CCEDRM
Cn1c(C2CC2)n[n-]c1=NC(=O)c1ccc(C#N)cn1	ZINC000597897889	361278591	/nfs/dbraw/zinc/27/85/91/361278591.db2.gz	RXWAKNXSLHFLLF-UHFFFAOYSA-N	-1	0	268.280	0.633	20	30		CCEDRM
C[C@H](NC(=O)N=c1[nH]n(C)cc1C#N)C1=CC[N@H+](C)CC1	ZINC000611596443	363748197	/nfs/dbraw/zinc/74/81/97/363748197.db2.gz	OFBFWLXGFZTGFQ-JTQLQIEISA-N	-1	0	288.355	0.486	20	30		CCEDRM
CC(C)(C)n1nnc(CC(=O)Nc2nc(C#N)c(C#N)[n-]2)n1	ZINC000598662718	361474910	/nfs/dbraw/zinc/47/49/10/361474910.db2.gz	UTXYNJAIJOGONE-UHFFFAOYSA-N	-1	0	299.298	0.076	20	30		CCEDRM
COc1cc(CCC(=O)Nc2nc(C#N)c(C#N)[n-]2)on1	ZINC000598662159	361475313	/nfs/dbraw/zinc/47/53/13/361475313.db2.gz	QUPOTAAMIDMUFF-UHFFFAOYSA-N	-1	0	286.251	0.721	20	30		CCEDRM
CC(C)(C#N)NC(=O)c1ccc([N-]S(C)(=O)=O)nc1	ZINC000599399514	361685998	/nfs/dbraw/zinc/68/59/98/361685998.db2.gz	UOAHPMOVHMFAPV-UHFFFAOYSA-N	-1	0	282.325	0.485	20	30		CCEDRM
C=CCN(C)C(=O)C(=O)NC[C@H](C(=O)[O-])C(C)C	ZINC000656010794	412731451	/nfs/dbraw/zinc/73/14/51/412731451.db2.gz	QWJZHPZTDYGHJV-VIFPVBQESA-N	-1	0	256.302	0.104	20	30		CCEDRM
CC(C)(CNS(=O)(=O)CCCC#N)CC(=O)[O-]	ZINC000614352702	364581225	/nfs/dbraw/zinc/58/12/25/364581225.db2.gz	YPISOLGOTYXAKL-UHFFFAOYSA-N	-1	0	262.331	0.710	20	30		CCEDRM
N#CC1(CS(=O)(=O)N2CCC[C@@H]2CC(=O)[O-])CC1	ZINC000614382620	364588822	/nfs/dbraw/zinc/58/88/22/364588822.db2.gz	ZCAPBKVYJOSHQL-SECBINFHSA-N	-1	0	272.326	0.559	20	30		CCEDRM
C=CCN(CCOC)C(=O)N=c1[n-]n(C)cc1C#N	ZINC000616791720	365452798	/nfs/dbraw/zinc/45/27/98/365452798.db2.gz	ZVNDKQALLQANMR-UHFFFAOYSA-N	-1	0	263.301	0.380	20	30		CCEDRM
C=C(C)C[C@@H](NC(C)=O)C(=O)N=c1nc(COC)[n-]s1	ZINC000622844745	367374543	/nfs/dbraw/zinc/37/45/43/367374543.db2.gz	LOMUNQKJBYHDBU-SECBINFHSA-N	-1	0	298.368	0.516	20	30		CCEDRM
C=CCOC[C@@H](NC(=O)c1noc2c1COCC2)C(=O)[O-]	ZINC000623176898	367464228	/nfs/dbraw/zinc/46/42/28/367464228.db2.gz	ZHMBUKKYTGXHKX-SECBINFHSA-N	-1	0	296.279	0.133	20	30		CCEDRM
CCC(=O)C(=O)N=c1nc(C2CCOCC2)[n-]s1	ZINC000629104829	369521559	/nfs/dbraw/zinc/52/15/59/369521559.db2.gz	ZSLSLORVHJOEQX-MRVPVSSYSA-N	-1	0	269.326	0.339	20	30		CCEDRM
C=C(C)CN(CC)C(=O)C(=O)N1CC[C@@H](C(=O)[O-])[C@H](C)C1	ZINC000629773679	369773008	/nfs/dbraw/zinc/77/30/08/369773008.db2.gz	QPBXBQCFBFQYKR-VXGBXAGGSA-N	-1	0	296.367	0.980	20	30		CCEDRM
C=CC[C@H]1CCN(C(=O)C(=O)N2CC[C@@H](C(=O)[O-])C2)C1	ZINC000629778517	369773754	/nfs/dbraw/zinc/77/37/54/369773754.db2.gz	BKCVLYNYXMBFGB-WDEREUQCSA-N	-1	0	280.324	0.344	20	30		CCEDRM
C=CCN(C)C(=O)C(=O)N1CC[C@H](C(=O)[O-])[C@@H](C)C1	ZINC000629771528	369771755	/nfs/dbraw/zinc/77/17/55/369771755.db2.gz	HBAHKAMAPLXAIG-UWVGGRQHSA-N	-1	0	268.313	0.200	20	30		CCEDRM
C=CCOC[C@H](NC(=O)c1ocnc1C1CC1)C(=O)[O-]	ZINC000630186901	369996019	/nfs/dbraw/zinc/99/60/19/369996019.db2.gz	DCMKRZWBNPYUBS-VIFPVBQESA-N	-1	0	280.280	0.938	20	30		CCEDRM
C=CCOC[C@@H](NC(=O)[C@H](OCC)C(C)C)C(=O)[O-]	ZINC000630187025	369996259	/nfs/dbraw/zinc/99/62/59/369996259.db2.gz	HGVMFYFUWAACCO-GHMZBOCLSA-N	-1	0	273.329	0.820	20	30		CCEDRM
C=C(C)C[C@H](NC(=O)c1nccnc1N)C(=O)[O-]	ZINC000630319473	370045815	/nfs/dbraw/zinc/04/58/15/370045815.db2.gz	BFOAJQKOKQXKQF-ZETCQYMHSA-N	-1	0	250.258	0.208	20	30		CCEDRM
C=C(C)C[C@@H](NC(=O)c1cc[nH]c(=O)c1)C(=O)[O-]	ZINC000630320560	370045984	/nfs/dbraw/zinc/04/59/84/370045984.db2.gz	ZGFCXWUTLSXMTQ-SECBINFHSA-N	-1	0	250.254	0.936	20	30		CCEDRM
C=C(C)C[C@H](NC(=O)c1ccn(CCOC)n1)C(=O)[O-]	ZINC000630322866	370047003	/nfs/dbraw/zinc/04/70/03/370047003.db2.gz	XHPDEWBSVNHYPN-NSHDSACASA-N	-1	0	281.312	0.679	20	30		CCEDRM
C=C(C)[C@H]1OCC[C@@H]1CNC(=O)Cn1cc(C(=O)[O-])cn1	ZINC000630303394	370037250	/nfs/dbraw/zinc/03/72/50/370037250.db2.gz	WKSLXGNMYMLMNR-ZWNOBZJWSA-N	-1	0	293.323	0.679	20	30		CCEDRM
C=C(C)[C@H]1OCC[C@@H]1CNC(=O)C1(C(=O)[O-])CCOCC1	ZINC000630302646	370037839	/nfs/dbraw/zinc/03/78/39/370037839.db2.gz	GLGFTLBUMGIBRT-VXGBXAGGSA-N	-1	0	297.351	0.965	20	30		CCEDRM
C=C(C)C[C@H](NC(=O)CCCC(=O)N(C)C)C(=O)[O-]	ZINC000630324555	370047977	/nfs/dbraw/zinc/04/79/77/370047977.db2.gz	FTVRINTYTICJTG-JTQLQIEISA-N	-1	0	270.329	0.781	20	30		CCEDRM
C=C(C)C[C@H](NC(=O)[C@H](C)OCCOCC)C(=O)[O-]	ZINC000630327317	370048019	/nfs/dbraw/zinc/04/80/19/370048019.db2.gz	ZDLFXCYMNKSXGV-QWRGUYRKSA-N	-1	0	273.329	0.964	20	30		CCEDRM
C=CCC[C@@H](NC(=O)CCc1ccncn1)C(=O)[O-]	ZINC000630180685	369993047	/nfs/dbraw/zinc/99/30/47/369993047.db2.gz	DVYNECZXMXXYDP-LLVKDONJSA-N	-1	0	263.297	0.945	20	30		CCEDRM
C=CCCNC(=O)N1C[C@H](OC)C[C@@]1(C)C(=O)[O-]	ZINC000630481010	370130191	/nfs/dbraw/zinc/13/01/91/370130191.db2.gz	CKWKWFLNFXFUEP-SKDRFNHKSA-N	-1	0	256.302	0.836	20	30		CCEDRM
C=CCOCCNC(=O)N1C[C@@H](OC)C[C@]1(C)C(=O)[O-]	ZINC000630480032	370130214	/nfs/dbraw/zinc/13/02/14/370130214.db2.gz	MBLFGADDOFQTDI-GXFFZTMASA-N	-1	0	286.328	0.463	20	30		CCEDRM
C#CCN(C)C(=O)c1ccccc1[N-]S(C)(=O)=O	ZINC000276955957	193513455	/nfs/dbraw/zinc/51/34/55/193513455.db2.gz	KYGWGEFGFUQZBX-UHFFFAOYSA-N	-1	0	266.322	0.763	20	30		CCEDRM
C=C[C@](C)(O)C(=O)N=c1nc(C(C)(C)OC)[n-]s1	ZINC000634149623	371911059	/nfs/dbraw/zinc/91/10/59/371911059.db2.gz	ZNEGSDPDNYSALG-NSHDSACASA-N	-1	0	271.342	0.717	20	30		CCEDRM
C=CCCNS(=O)(=O)c1cnc(C)c(C(=O)[O-])c1	ZINC000656718126	412846624	/nfs/dbraw/zinc/84/66/24/412846624.db2.gz	QPNIUJRKELOMQE-UHFFFAOYSA-N	-1	0	270.310	0.943	20	30		CCEDRM
Cc1oc(C#N)cc1C(=O)N1CCC[C@H](c2nnn[n-]2)C1	ZINC000515479957	249135999	/nfs/dbraw/zinc/13/59/99/249135999.db2.gz	QTJDXVHITAJSRY-VIFPVBQESA-N	-1	0	286.295	0.993	20	30		CCEDRM
CC[C@@H]1CCCCN1C(=O)Cn1c(=O)[n-]cc(C#N)c1=O	ZINC000517565402	249223713	/nfs/dbraw/zinc/22/37/13/249223713.db2.gz	BOKCJXOVNZSGIT-LLVKDONJSA-N	-1	0	290.323	0.199	20	30		CCEDRM
N#Cc1cccc(C2(NC(=O)c3n[nH]c(=O)[n-]3)CC2)c1	ZINC000518423097	249249607	/nfs/dbraw/zinc/24/96/07/249249607.db2.gz	XKAFMQNIHFZRMP-UHFFFAOYSA-N	-1	0	269.264	0.801	20	30		CCEDRM
Cc1[n-]n(C)c(=O)c1C(=O)Nc1ccc(C#N)cc1	ZINC000130604797	284789120	/nfs/dbraw/zinc/78/91/20/284789120.db2.gz	FGBRHCZIRZBTBF-NSHDSACASA-N	-1	0	256.265	0.961	20	30		CCEDRM
Cn1cc(C#N)c([N-]S(=O)(=O)CCCCF)n1	ZINC000288477920	197089115	/nfs/dbraw/zinc/08/91/15/197089115.db2.gz	BWMGRPXKTACZNP-UHFFFAOYSA-N	-1	0	260.294	0.783	20	30		CCEDRM
C#CCO[N-]C(=O)[C@@H]1COCC(=O)N1Cc1ccccc1	ZINC000291282423	388920347	/nfs/dbraw/zinc/92/03/47/388920347.db2.gz	OSTQNOPXUXSRAC-ZDUSSCGKSA-N	-1	0	288.303	0.095	20	30		CCEDRM
C#CCONC(=O)[C@@H]1CC(=O)N(Cc2ccco2)C1	ZINC000291334914	388920861	/nfs/dbraw/zinc/92/08/61/388920861.db2.gz	VCSLZIFOBMSIBC-SNVBAGLBSA-N	-1	0	262.265	0.309	20	30		CCEDRM
C#CCO[N-]C(=O)[C@@H](C)NC(=O)c1cccs1	ZINC000291377450	388922381	/nfs/dbraw/zinc/92/23/81/388922381.db2.gz	ZYEMORWPYBTCQN-MRVPVSSYSA-N	-1	0	252.295	0.547	20	30		CCEDRM
N#Cc1csc(C(=O)N2CCN3C(=O)NC(=O)[C@@H]3C2)c1	ZINC000328942996	389146386	/nfs/dbraw/zinc/14/63/86/389146386.db2.gz	LMBXPRXCXFRVOE-QMMMGPOBSA-N	-1	0	290.304	0.836	20	30		CCEDRM
Cc1ccn(CC(=O)Nc2nc(C#N)c(C#N)[n-]2)c(=O)c1	ZINC000194917782	389110232	/nfs/dbraw/zinc/11/02/32/389110232.db2.gz	MZPSFXJLFSHFMI-UHFFFAOYSA-N	-1	0	282.263	0.262	20	30		CCEDRM
C=CCOCC(=O)N[C@H]1CCN([C@@H](C(=O)[O-])C(C)C)C1=O	ZINC000358723383	389158768	/nfs/dbraw/zinc/15/87/68/389158768.db2.gz	YUUCCWFQDCUXMZ-CMPLNLGQSA-N	-1	0	298.339	0.015	20	30		CCEDRM
O=C(N=c1cn[n-]s1)N1CCO[C@]2(CCOC2)C1	ZINC000330271235	389219523	/nfs/dbraw/zinc/21/95/23/389219523.db2.gz	VPKQVPFCFIVVGY-SNVBAGLBSA-N	-1	0	270.314	0.575	20	30		CCEDRM
Cn1cnc2cc(C(=O)Nc3nc(C#N)c(C#N)[n-]3)cnc21	ZINC000345261901	389295359	/nfs/dbraw/zinc/29/53/59/389295359.db2.gz	VMLKLIUPTHVSFV-UHFFFAOYSA-N	-1	0	292.262	0.687	20	30		CCEDRM
C=CCC[C@@H](NC(=O)[C@H](C)n1cccn1)C(=O)[O-]	ZINC000262897333	389296362	/nfs/dbraw/zinc/29/63/62/389296362.db2.gz	LXHDGABLCCRIAZ-VHSXEESVSA-N	-1	0	251.286	0.980	20	30		CCEDRM
C=CCS(=O)(=O)[N-]C(=O)[C@H]1CCO[C@@H](CC)C1	ZINC000408396703	389346649	/nfs/dbraw/zinc/34/66/49/389346649.db2.gz	UVGGEYAYGZFEGM-UWVGGRQHSA-N	-1	0	261.343	0.824	20	30		CCEDRM
CCn1cc([N-]S(=O)(=O)c2ccc(C#N)nc2)cn1	ZINC000164979048	389438106	/nfs/dbraw/zinc/43/81/06/389438106.db2.gz	FHWXOEFMBBQQLQ-UHFFFAOYSA-N	-1	0	277.309	0.970	20	30		CCEDRM
COc1n[n-]c(=NC(=O)N2CCC(F)(C#N)CC2)s1	ZINC000351562526	389615910	/nfs/dbraw/zinc/61/59/10/389615910.db2.gz	WFKCAWYVKOOPPH-UHFFFAOYSA-N	-1	0	285.304	0.828	20	30		CCEDRM
C=CCOCCCC(=O)N[C@H](CCOC)C(=O)[O-]	ZINC000281747953	389623893	/nfs/dbraw/zinc/62/38/93/389623893.db2.gz	VNJIVKCXBMVLDX-SNVBAGLBSA-N	-1	0	259.302	0.575	20	30		CCEDRM
N#C[C@H]1CC[C@@H](NC(=O)c2c[nH]c3nc(=O)[n-]c(=O)c-3c2)C1	ZINC000424975487	389638066	/nfs/dbraw/zinc/63/80/66/389638066.db2.gz	HVDPUCFJWHJKMQ-IONNQARKSA-N	-1	0	299.290	0.858	20	30		CCEDRM
C=CCCCS(=O)(=O)[N-]c1ncn(CC(=O)OC)n1	ZINC000427754964	389683027	/nfs/dbraw/zinc/68/30/27/389683027.db2.gz	SRKGJKMEAPJBKU-UHFFFAOYSA-N	-1	0	288.329	0.159	20	30		CCEDRM
COc1n[n-]c(=NC(=O)NCC2(C#N)CCC2)s1	ZINC000417049177	389791927	/nfs/dbraw/zinc/79/19/27/389791927.db2.gz	SZGBYMYTQKCFCM-UHFFFAOYSA-N	-1	0	267.314	0.784	20	30		CCEDRM
CC(C)n1cc(C#N)c(=NC(=O)[C@@H]2CN(C)C[C@H](C)O2)[n-]1	ZINC000527556793	285349751	/nfs/dbraw/zinc/34/97/51/285349751.db2.gz	QHPDTQCYBIGYJY-JQWIXIFHSA-N	-1	0	291.355	0.415	20	30		CCEDRM
Cc1cc(C)n2[n-]c(=NC(=O)N(C)[C@@H](C)CC#N)nc2n1	ZINC000444404759	389906506	/nfs/dbraw/zinc/90/65/06/389906506.db2.gz	VORMCUJDEAIEDW-VIFPVBQESA-N	-1	0	287.327	0.929	20	30		CCEDRM
O=C(NCC#CCO)c1cccc([N+](=O)[O-])c1[O-]	ZINC000436794814	389984663	/nfs/dbraw/zinc/98/46/63/389984663.db2.gz	XSGBZAPKWKXQDO-UHFFFAOYSA-N	-1	0	250.210	0.026	20	30		CCEDRM
C=C(C)[C@H]1OCC[C@H]1CNC(=O)Cc1n[n-]c(=NC)s1	ZINC000437526634	389994080	/nfs/dbraw/zinc/99/40/80/389994080.db2.gz	SABRUCSRMUXDQA-JOYOIKCWSA-N	-1	0	296.396	0.642	20	30		CCEDRM
C=CC[C@H](CC)NC(=O)C(=O)N(C)C[C@H](C)C(=O)[O-]	ZINC000420567888	390013110	/nfs/dbraw/zinc/01/31/10/390013110.db2.gz	UMSHARYLHHDFFY-UWVGGRQHSA-N	-1	0	270.329	0.636	20	30		CCEDRM
C=CCn1cc(C(=O)NCCCCC(=O)[O-])nn1	ZINC000647729842	390149249	/nfs/dbraw/zinc/14/92/49/390149249.db2.gz	XQXBNWIOYFJRTH-UHFFFAOYSA-N	-1	0	252.274	0.449	20	30		CCEDRM
C=CCn1cc(C(=O)N([C@@H](C)C(=O)[O-])C2CC2)nn1	ZINC000647742368	390156157	/nfs/dbraw/zinc/15/61/57/390156157.db2.gz	SLKWHJHNMFCQPN-QMMMGPOBSA-N	-1	0	264.285	0.542	20	30		CCEDRM
C=CCOCCCC(=O)Nc1ncn(CC(=O)[O-])n1	ZINC000647782349	390170701	/nfs/dbraw/zinc/17/07/01/390170701.db2.gz	IJLYRRNPWFSPNU-UHFFFAOYSA-N	-1	0	268.273	0.284	20	30		CCEDRM
C[C@H]1CCN(S(=O)(=O)CC2(C#N)CC2)C[C@@H]1C(=O)[O-]	ZINC000581192550	390250256	/nfs/dbraw/zinc/25/02/56/390250256.db2.gz	QVNFRZNAQWBPPV-UWVGGRQHSA-N	-1	0	286.353	0.663	20	30		CCEDRM
N#CC1(CS(=O)(=O)N2CCC[C@H](C(=O)[O-])C2)CCC1	ZINC000562797730	390490656	/nfs/dbraw/zinc/49/06/56/390490656.db2.gz	BIICTHXZGPTUGK-JTQLQIEISA-N	-1	0	286.353	0.807	20	30		CCEDRM
CC#CC[C@H](NS(=O)(=O)c1cnccc1C)C(=O)[O-]	ZINC000565056589	390499695	/nfs/dbraw/zinc/49/96/95/390499695.db2.gz	YISCMFQMGMVQMH-JTQLQIEISA-N	-1	0	282.321	0.535	20	30		CCEDRM
C=CCCN(C)C(=O)C(=O)N1CCC[C@@H](CC(=O)[O-])C1	ZINC000643462023	390449286	/nfs/dbraw/zinc/44/92/86/390449286.db2.gz	XJMTUGRMOZTLKJ-NSHDSACASA-N	-1	0	282.340	0.734	20	30		CCEDRM
N#Cc1cccc(CC(=O)NCCc2nc(=O)o[n-]2)c1	ZINC000556086021	390472962	/nfs/dbraw/zinc/47/29/62/390472962.db2.gz	UJEIVPLBDWCCMG-UHFFFAOYSA-N	-1	0	272.264	0.136	20	30		CCEDRM
C=CCC[C@@H](NS(=O)(=O)CCOCC1CC1)C(=O)[O-]	ZINC000516563317	390482192	/nfs/dbraw/zinc/48/21/92/390482192.db2.gz	DHEIPTUVLHEDBS-LLVKDONJSA-N	-1	0	291.369	0.752	20	30		CCEDRM
C[C@@H](CC#N)N(C)S(=O)(=O)N1CC[C@H](CC(=O)[O-])C1	ZINC000519662844	390526953	/nfs/dbraw/zinc/52/69/53/390526953.db2.gz	ZTWUIIUZECJRPC-VHSXEESVSA-N	-1	0	289.357	0.262	20	30		CCEDRM
C=CCn1cc(C(=O)N[C@@](C)(CCC)C(=O)[O-])nn1	ZINC000649244038	390535025	/nfs/dbraw/zinc/53/50/25/390535025.db2.gz	IIYSNBRYEXTYCJ-LBPRGKRZSA-N	-1	0	266.301	0.837	20	30		CCEDRM
C=C(C)CN(C)S(=O)(=O)N1CCC[C@@H]1C(=O)[O-]	ZINC000645986814	390559747	/nfs/dbraw/zinc/55/97/47/390559747.db2.gz	LUPUWVUHLWCZRR-SECBINFHSA-N	-1	0	262.331	0.288	20	30		CCEDRM
CC[C@H](C(=O)[O-])N(C)S(=O)(=O)N(CC)C[C@@H](C)C#N	ZINC000569228028	390716015	/nfs/dbraw/zinc/71/60/15/390716015.db2.gz	ZQIVFMILLFFPRS-VHSXEESVSA-N	-1	0	291.373	0.508	20	30		CCEDRM
N#Cc1cc(C(=O)N2CCC[C@@H](c3nnn[n-]3)C2)ccn1	ZINC000527000936	390688406	/nfs/dbraw/zinc/68/84/06/390688406.db2.gz	SUCICEWYEXJFLX-SNVBAGLBSA-N	-1	0	283.295	0.486	20	30		CCEDRM
CCC(C#N)(CC)C(=O)[N-]S(=O)(=O)[C@@H]1CCOC1	ZINC000528951956	390785565	/nfs/dbraw/zinc/78/55/65/390785565.db2.gz	YGVTXOPSXGZKIY-SECBINFHSA-N	-1	0	274.342	0.551	20	30		CCEDRM
C=CCOC[C@H](NC(=O)NCCCn1cccn1)C(=O)[O-]	ZINC000571666220	390747212	/nfs/dbraw/zinc/74/72/12/390747212.db2.gz	NKXVMEKAJOLHRI-NSHDSACASA-N	-1	0	296.327	0.228	20	30		CCEDRM
C=C[C@@H](CCC(=O)[O-])NS(=O)(=O)c1ccnn1CC	ZINC000578158428	390867434	/nfs/dbraw/zinc/86/74/34/390867434.db2.gz	TVHLOWMPOASBBP-VIFPVBQESA-N	-1	0	287.341	0.601	20	30		CCEDRM
COc1ccc(=NC(=O)NC[C@@]2(C)CCOC2)[n-]n1	ZINC000329110291	533252662	/nfs/dbraw/zinc/25/26/62/533252662.db2.gz	GHRLFSIKOKMIGV-GFCCVEGCSA-N	-1	0	266.301	0.660	20	30		CCEDRM
Cc1cc(S(=O)(=O)N(C)[C@@H](C)C(=O)[O-])ccc1C#N	ZINC000235461414	130950462	/nfs/dbraw/zinc/95/04/62/130950462.db2.gz	ZLQBIFNPASEVDF-VIFPVBQESA-N	-1	0	282.321	0.960	20	30		CCEDRM
O=C([O-])[C@H]1CC[C@@H](C(=O)NCC#Cc2ccccc2)O1	ZINC000262242814	131204504	/nfs/dbraw/zinc/20/45/04/131204504.db2.gz	ALBSXNFHJDNBHC-QWHCGFSZSA-N	-1	0	273.288	0.787	20	30		CCEDRM
CCO[N-]C(=O)[C@H](C)NS(=O)(=O)c1cccc(C#N)c1	ZINC000268701340	132052083	/nfs/dbraw/zinc/05/20/83/132052083.db2.gz	AEDVNYDVFLKVMJ-VIFPVBQESA-N	-1	0	297.336	0.293	20	30		CCEDRM
Cc1[n-][nH]c(=NC(=O)[C@@H]2CCC[C@H](C(N)=O)C2)c1C#N	ZINC000357231751	144071236	/nfs/dbraw/zinc/07/12/36/144071236.db2.gz	MHNDABLEWYTOIW-DTWKUNHWSA-N	-1	0	275.312	0.242	20	30		CCEDRM
Cc1[n-][nH]c(=NC(=O)[C@@H]2CCC[C@@H](C(N)=O)C2)c1C#N	ZINC000357231754	144071345	/nfs/dbraw/zinc/07/13/45/144071345.db2.gz	MHNDABLEWYTOIW-RKDXNWHRSA-N	-1	0	275.312	0.242	20	30		CCEDRM
CCN1CCCC[C@@H]1C(=O)N=c1[nH][n-]c(C)c1C#N	ZINC000357249694	144073661	/nfs/dbraw/zinc/07/36/61/144073661.db2.gz	XQLHPKAYRBVSNU-LLVKDONJSA-N	-1	0	261.329	0.825	20	30		CCEDRM
C=C(C)CS(=O)(=O)N[C@H](CC1(OC)CCC1)C(=O)[O-]	ZINC000650433793	397719522	/nfs/dbraw/zinc/71/95/22/397719522.db2.gz	JZZXXLVYMIWVQI-SNVBAGLBSA-N	-1	0	291.369	0.894	20	30		CCEDRM
C[C@@H](CN(C)C(=O)Cc1cccc(C#N)c1)c1nnn[n-]1	ZINC000548138458	286009730	/nfs/dbraw/zinc/00/97/30/286009730.db2.gz	BKZNYVCJSABZOZ-JTQLQIEISA-N	-1	0	284.323	0.876	20	30		CCEDRM
COc1cc(C#N)ccc1S(=O)(=O)NC[C@@H](C)C(=O)[O-]	ZINC000548193705	286015457	/nfs/dbraw/zinc/01/54/57/286015457.db2.gz	NPOOZIPZYRAUMP-MRVPVSSYSA-N	-1	0	298.320	0.566	20	30		CCEDRM
Cc1noc(C)c1S(=O)(=O)[N-]c1n[nH]cc1C#N	ZINC000008697293	170346033	/nfs/dbraw/zinc/34/60/33/170346033.db2.gz	HMPYPYWJYMKYTD-UHFFFAOYSA-N	-1	0	267.270	0.687	20	30		CCEDRM
C=CC[C@H](C)NC(=O)C(=O)N=c1ncn(C(C)C)[n-]1	ZINC000651573404	411899881	/nfs/dbraw/zinc/89/98/81/411899881.db2.gz	ZIILURDHQNMBND-VIFPVBQESA-N	-1	0	265.317	0.300	20	30		CCEDRM
C[C@H](NS(=O)(=O)c1ccccc1C#N)C(=O)[O-]	ZINC000020557197	171250402	/nfs/dbraw/zinc/25/04/02/171250402.db2.gz	OLMXGGQQGCVNRA-ZETCQYMHSA-N	-1	0	254.267	0.310	20	30		CCEDRM
C=CC[C@H](CO)CNC(=O)NCC1(C(=O)[O-])CCC1	ZINC000659421516	413487567	/nfs/dbraw/zinc/48/75/67/413487567.db2.gz	SEAUOJAHXLYFGU-JTQLQIEISA-N	-1	0	270.329	0.725	20	30		CCEDRM
C=C(C)CN(CC)S(=O)(=O)c1cnn(CC(=O)[O-])c1	ZINC000035651742	172328303	/nfs/dbraw/zinc/32/83/03/172328303.db2.gz	PVYPURIAEYGSDZ-UHFFFAOYSA-N	-1	0	287.341	0.554	20	30		CCEDRM
C[C@H](Oc1ccccc1C#N)C(=O)NCCC(=O)[O-]	ZINC000037433787	173204474	/nfs/dbraw/zinc/20/44/74/173204474.db2.gz	BTAIUDBVRAZLNP-VIFPVBQESA-N	-1	0	262.265	0.916	20	30		CCEDRM
C=C[C@@H]1OCC[C@H]1CNC(=O)[C@@](C)(OC)C(=O)[O-]	ZINC000663056968	414966370	/nfs/dbraw/zinc/96/63/70/414966370.db2.gz	PKDAEWABGGTVNH-HOTUBEGUSA-N	-1	0	257.286	0.183	20	30		CCEDRM
C=CCOCCNC(=O)N[C@H](C(=O)[O-])c1ccn(C)n1	ZINC000663266416	415031367	/nfs/dbraw/zinc/03/13/67/415031367.db2.gz	PAKJVBYQPGEYGP-JTQLQIEISA-N	-1	0	282.300	0.048	20	30		CCEDRM
CC[C@@H](NS(=O)(=O)c1ccc(F)c(C#N)c1)C(=O)[O-]	ZINC000071238476	176094030	/nfs/dbraw/zinc/09/40/30/176094030.db2.gz	DLKKVJYIGHSBKV-SNVBAGLBSA-N	-1	0	286.284	0.839	20	30		CCEDRM
CO[C@@H](C)c1nc(=NC(=O)N2CCO[C@H](C#N)C2)s[n-]1	ZINC000350654314	227048829	/nfs/dbraw/zinc/04/88/29/227048829.db2.gz	TYRXRYFBKFTJRH-JGVFFNPUSA-N	-1	0	297.340	0.424	20	30		CCEDRM
O=C(N=c1cn[n-]s1)NC[C@H]1CCCS1(=O)=O	ZINC000330254923	228081643	/nfs/dbraw/zinc/08/16/43/228081643.db2.gz	JQUMOQHNAYDYIO-ZCFIWIBFSA-N	-1	0	276.343	0.441	20	30		CCEDRM
O=C(N=c1cn[n-]s1)N1CC[C@H](N2CCCC2=O)C1	ZINC000330255228	228082495	/nfs/dbraw/zinc/08/24/95/228082495.db2.gz	JWHKGEKMKBZMFQ-QMMMGPOBSA-N	-1	0	281.341	0.780	20	30		CCEDRM
C=CCNC(=O)CN1CCc2ccccc2[C@H]1C(=O)[O-]	ZINC000043594191	544429487	/nfs/dbraw/zinc/42/94/87/544429487.db2.gz	FHQGRLXEFAFEPF-AWEZNQCLSA-N	-1	0	274.320	0.973	20	30		CCEDRM
C=CC[C@@H](NS(=O)(=O)c1cn(CC)c(C)n1)C(=O)[O-]	ZINC000161270830	544705129	/nfs/dbraw/zinc/70/51/29/544705129.db2.gz	JMUKJNBDXMJJGT-SECBINFHSA-N	-1	0	287.341	0.519	20	30		CCEDRM
C=CCOCCNC(=O)c1ccc(C(=O)[O-])cn1	ZINC000310643119	545010470	/nfs/dbraw/zinc/01/04/70/545010470.db2.gz	CBHSGJBTSKCPBX-UHFFFAOYSA-N	-1	0	250.254	0.712	20	30		CCEDRM
C=CCN(CC(=O)[O-])S(=O)(=O)c1ccc2c(c1)CCO2	ZINC000092463973	260270777	/nfs/dbraw/zinc/27/07/77/260270777.db2.gz	HNCIAHWPRFYJIU-UHFFFAOYSA-N	-1	0	297.332	0.883	20	30		CCEDRM
CC[C@H](C#N)S(=O)(=O)[N-]c1ccccc1C(N)=O	ZINC000229899622	261236009	/nfs/dbraw/zinc/23/60/09/261236009.db2.gz	SYOANZLYQULCJR-MRVPVSSYSA-N	-1	0	267.310	0.829	20	30		CCEDRM
N#C[C@@H]1CN(Cc2c([O-])nnn2-c2ccccc2)CCO1	ZINC000106064062	261321422	/nfs/dbraw/zinc/32/14/22/261321422.db2.gz	OFGKEONGGITMOX-GFCCVEGCSA-N	-1	0	285.307	0.697	20	30		CCEDRM
C#C[C@H]1COCCN1C(=O)c1s[n-]c(=O)c1Cl	ZINC000491775110	262034192	/nfs/dbraw/zinc/03/41/92/262034192.db2.gz	DKQAMNAZXAIAOG-LURJTMIESA-N	-1	0	272.713	0.976	20	30		CCEDRM
CC#CCCCC(=O)N1CCO[C@H](c2nnn[n-]2)C1	ZINC000364170446	262179180	/nfs/dbraw/zinc/17/91/80/262179180.db2.gz	RFSKJCQXMNIGJW-JTQLQIEISA-N	-1	0	263.301	0.293	20	30		CCEDRM
C=CCCO[C@H](C)C(=O)N1CCO[C@@H](c2nnn[n-]2)C1	ZINC000364530533	262253034	/nfs/dbraw/zinc/25/30/34/262253034.db2.gz	YXZPBYLNBCVNOR-NXEZZACHSA-N	-1	0	281.316	0.081	20	30		CCEDRM
COC(=O)CN(CC#N)C(=O)c1cc(F)c([O-])c(F)c1	ZINC000186822727	262325815	/nfs/dbraw/zinc/32/58/15/262325815.db2.gz	ZMXWSVGJHHEGMC-UHFFFAOYSA-N	-1	0	284.218	0.809	20	30		CCEDRM
C=CCCCNC(=O)C(=O)N=c1nc(CCC)[n-]s1	ZINC000411484070	262696218	/nfs/dbraw/zinc/69/62/18/262696218.db2.gz	OENIJKGTSSXGOW-UHFFFAOYSA-N	-1	0	282.369	0.933	20	30		CCEDRM
C[C@H](C#N)C(=O)N1CCC[C@H]1CN(C)Cc1n[nH]c(=O)[n-]1	ZINC000960498804	649854728	/nfs/dbraw/zinc/85/47/28/649854728.db2.gz	DCQBICRQAXLVIJ-ZJUUUORDSA-N	-1	0	292.343	0.093	20	30		CCEDRM
CCCc1nc(=NC(=O)NC[C@@H]2COCCO2)s[n-]1	ZINC000330847789	264067427	/nfs/dbraw/zinc/06/74/27/264067427.db2.gz	MATUNOAVOPBBAT-MRVPVSSYSA-N	-1	0	286.357	0.654	20	30		CCEDRM
CCN(CCCO)C([O-])=Nc1c(C)ccn(C)c1=O	ZINC000330983254	264102999	/nfs/dbraw/zinc/10/29/99/264102999.db2.gz	KALJXCGIBRWRFZ-UHFFFAOYSA-N	-1	0	267.329	0.944	20	30		CCEDRM
Cn1cccc(N/C([O-])=N/C[C@]2(O)CCSC2)c1=O	ZINC000331071372	264113248	/nfs/dbraw/zinc/11/32/48/264113248.db2.gz	TUONMLKQHFDWJS-GFCCVEGCSA-N	-1	0	283.353	0.579	20	30		CCEDRM
CN(C)C(=O)NCCN(C)C(=O)N=c1cn[n-]s1	ZINC000331135726	264134435	/nfs/dbraw/zinc/13/44/35/264134435.db2.gz	CRRGXDUOPDXPKH-UHFFFAOYSA-N	-1	0	272.334	0.491	20	30		CCEDRM
CC(C)c1nn(C)cc1C(=O)NCc1n[nH]c(=O)[n-]1	ZINC000331274860	264170546	/nfs/dbraw/zinc/17/05/46/264170546.db2.gz	DQJYEUZGUWQXLF-UHFFFAOYSA-N	-1	0	264.289	0.872	20	30		CCEDRM
Cn1c([O-])ncc(/C([O-])=N\CC(C)(C)C[NH+](C)C)c1=O	ZINC000331244942	264178574	/nfs/dbraw/zinc/17/85/74/264178574.db2.gz	OUBCGCOCGHQOKY-UHFFFAOYSA-N	-1	0	282.344	0.378	20	30		CCEDRM
CC[C@H](C)N(CC(=O)[O-])S(=O)(=O)N(C)[C@H](C)CC#N	ZINC000417414469	264228018	/nfs/dbraw/zinc/22/80/18/264228018.db2.gz	CYLVTAZHHHDJNC-VHSXEESVSA-N	-1	0	291.373	0.650	20	30		CCEDRM
C=CC[C@H](NS(=O)(=O)c1c(C)noc1C)C(=O)[O-]	ZINC000161293371	264280369	/nfs/dbraw/zinc/28/03/69/264280369.db2.gz	VPDLBURZBPEXCR-QMMMGPOBSA-N	-1	0	274.298	0.599	20	30		CCEDRM
C#CCSCCNC(=O)N1CCC[C@H](C(=O)[O-])C1	ZINC000231960004	264804308	/nfs/dbraw/zinc/80/43/08/264804308.db2.gz	FREQFCQCRPQOQY-JTQLQIEISA-N	-1	0	270.354	0.859	20	30		CCEDRM
C#CCO[N-]C(=O)[C@@H]1COc2ccc(OC)cc2C1	ZINC000291337224	264823049	/nfs/dbraw/zinc/82/30/49/264823049.db2.gz	VKIGGFQMFLXCAB-NSHDSACASA-N	-1	0	261.277	0.927	20	30		CCEDRM
Cn1[n-]nnc1=NC1CCC(Oc2ncccc2C#N)CC1	ZINC000527325414	268109336	/nfs/dbraw/zinc/10/93/36/268109336.db2.gz	JBAXBDOPJLDKSP-UHFFFAOYSA-N	-1	0	299.338	0.701	20	30		CCEDRM
COc1ccc(=NC(=O)NCC2(O)CCCCC2)[n-]n1	ZINC000329111111	295064308	/nfs/dbraw/zinc/06/43/08/295064308.db2.gz	GOUURZKCVMTEKD-UHFFFAOYSA-N	-1	0	280.328	0.928	20	30		CCEDRM
C[C@@H]1C[C@H](C)[C@@H](C(=O)Nc2nc(C#N)c(C#N)[n-]2)O1	ZINC000282259849	297373919	/nfs/dbraw/zinc/37/39/19/297373919.db2.gz	WMCXHXVBNWPPGB-PJKMHFRUSA-N	-1	0	259.269	0.905	20	30		CCEDRM
C=CCOCCNC(=O)NC[C@H](C(=O)[O-])C(C)C	ZINC000394127009	545087875	/nfs/dbraw/zinc/08/78/75/545087875.db2.gz	IIVKJNWDAZGOBP-JTQLQIEISA-N	-1	0	258.318	0.845	20	30		CCEDRM
N#CCN(CC1=Nc2ccccc2S(=O)(=O)[N-]1)C1CC1	ZINC000339732297	328019218	/nfs/dbraw/zinc/01/92/18/328019218.db2.gz	XOFVOJHABKHTPJ-UHFFFAOYSA-N	-1	0	290.348	0.996	20	30		CCEDRM
N#CCN1CCN(C(=O)c2cc(F)cc3n[nH]nc32)CC1	ZINC000277767258	328222697	/nfs/dbraw/zinc/22/26/97/328222697.db2.gz	SSJUQUGEPYRILZ-UHFFFAOYSA-N	-1	0	288.286	0.378	20	30		CCEDRM
C=CCC[C@@H](CO)NS(=O)(=O)[N-]CC(F)(F)F	ZINC000320814500	328552491	/nfs/dbraw/zinc/55/24/91/328552491.db2.gz	XOAMQWLUBZWXOQ-ZETCQYMHSA-N	-1	0	276.280	0.300	20	30		CCEDRM
C=CCCCS(=O)(=O)NC[C@@H](CC(=O)[O-])OC	ZINC000557610538	327016051	/nfs/dbraw/zinc/01/60/51/327016051.db2.gz	HWMUNRSJESFERC-SECBINFHSA-N	-1	0	265.331	0.362	20	30		CCEDRM
C=CCOC[C@H](NC(=O)N[C@H]1CC[C@H](OC)C1)C(=O)[O-]	ZINC000584157222	327052155	/nfs/dbraw/zinc/05/21/55/327052155.db2.gz	BVCARUIERXAKOH-DCAQKATOSA-N	-1	0	286.328	0.509	20	30		CCEDRM
C=CCC[C@H](NS(=O)(=O)N1CC[C@@H](C)C1)C(=O)[O-]	ZINC000558878932	327129323	/nfs/dbraw/zinc/12/93/23/327129323.db2.gz	HXZDIFNMKBXGAJ-ZJUUUORDSA-N	-1	0	276.358	0.582	20	30		CCEDRM
C=CCC[C@@H](NS(=O)(=O)C[C@@H]1CCCCO1)C(=O)[O-]	ZINC000574133328	327291795	/nfs/dbraw/zinc/29/17/95/327291795.db2.gz	AHKBEXVIAASFOR-WDEREUQCSA-N	-1	0	291.369	0.894	20	30		CCEDRM
C=CCNS(=O)(=O)c1ccc(OCC(=O)[O-])c(C)c1	ZINC000582364182	328971412	/nfs/dbraw/zinc/97/14/12/328971412.db2.gz	XHZWVLXTOXEFRT-UHFFFAOYSA-N	-1	0	285.321	0.923	20	30		CCEDRM
C=CCOC[C@@H](NS(=O)(=O)CC(C)(C)C)C(=O)[O-]	ZINC000583691659	328976568	/nfs/dbraw/zinc/97/65/68/328976568.db2.gz	FZXWPLZPZJMKHL-SECBINFHSA-N	-1	0	279.358	0.608	20	30		CCEDRM
C=CCNC(=O)CNS(=O)(=O)c1ccccc1[N+](=O)[O-]	ZINC000180281414	329219373	/nfs/dbraw/zinc/21/93/73/329219373.db2.gz	UFWWCEJRINBUDF-UHFFFAOYSA-N	-1	0	299.308	0.175	20	30		CCEDRM
C=CCOC[C@H](NC(=O)NC[C@H]1CCSC1)C(=O)[O-]	ZINC000584395105	329453895	/nfs/dbraw/zinc/45/38/95/329453895.db2.gz	CBTXGRWZHPUMJY-ZJUUUORDSA-N	-1	0	288.369	0.695	20	30		CCEDRM
C=CCCCS(=O)(=O)N1CC(C)(C)OC[C@H]1C(=O)[O-]	ZINC000564051721	329661569	/nfs/dbraw/zinc/66/15/69/329661569.db2.gz	SNBSBQFNWFTDQI-JTQLQIEISA-N	-1	0	291.369	0.846	20	30		CCEDRM
C=C(C)CS(=O)(=O)N[C@@H](C(=O)[O-])c1cnn(C)c1	ZINC000572004872	329936676	/nfs/dbraw/zinc/93/66/76/329936676.db2.gz	LYFZHKKPAQTIPM-SECBINFHSA-N	-1	0	273.314	0.041	20	30		CCEDRM
C=CCCO[C@H](C)C(=O)N1C[C@@H](OC)C[C@@H]1C(=O)[O-]	ZINC000262216083	330001970	/nfs/dbraw/zinc/00/19/70/330001970.db2.gz	YYJWEZLQBAZIAC-OUAUKWLOSA-N	-1	0	271.313	0.668	20	30		CCEDRM
CCCN(CC(=O)[O-])S(=O)(=O)N(C)[C@@H](C)CC#N	ZINC000263514340	330058598	/nfs/dbraw/zinc/05/85/98/330058598.db2.gz	ZBMDTAKBGCDHDN-VIFPVBQESA-N	-1	0	277.346	0.262	20	30		CCEDRM
CC(C)[C@@H](NS(=O)(=O)N(C)C[C@@H](C)C#N)C(=O)[O-]	ZINC000263537461	330059218	/nfs/dbraw/zinc/05/92/18/330059218.db2.gz	AHRSYNIEBQDZCE-DTWKUNHWSA-N	-1	0	277.346	0.021	20	30		CCEDRM
C[C@H](CC#N)N(C)S(=O)(=O)N1CCC[C@H]1C(=O)[O-]	ZINC000263546914	330059410	/nfs/dbraw/zinc/05/94/10/330059410.db2.gz	HSIQMYUBYNAWIR-BDAKNGLRSA-N	-1	0	275.330	0.014	20	30		CCEDRM
N#CCCCCS(=O)(=O)N1CCCC[C@@H]1C(=O)[O-]	ZINC000262685060	330026867	/nfs/dbraw/zinc/02/68/67/330026867.db2.gz	USGJGEIVBZTJOL-SNVBAGLBSA-N	-1	0	274.342	0.949	20	30		CCEDRM
C=CCC(CC=C)C(=O)NCc1cn(CC(=O)[O-])nn1	ZINC000262688683	330027489	/nfs/dbraw/zinc/02/74/89/330027489.db2.gz	BPSNVINFCAIBGZ-UHFFFAOYSA-N	-1	0	278.312	0.747	20	30		CCEDRM
C=CCOC[C@@H](NC(=O)c1cccn1C)C(=O)[O-]	ZINC000263031489	330039635	/nfs/dbraw/zinc/03/96/35/330039635.db2.gz	OOTIMRNCXWMSFX-SECBINFHSA-N	-1	0	252.270	0.411	20	30		CCEDRM
C=CCOC[C@@H](NC(=O)CCc1ccco1)C(=O)[O-]	ZINC000263061931	330041372	/nfs/dbraw/zinc/04/13/72/330041372.db2.gz	QRGPDCHZLTXIBB-LLVKDONJSA-N	-1	0	267.281	0.984	20	30		CCEDRM
CO[C@@H](CNC(=O)c1ccc(CC#N)cc1)C(=O)[O-]	ZINC000263130954	330045011	/nfs/dbraw/zinc/04/50/11/330045011.db2.gz	SUEUMUDVPBCXEF-NSHDSACASA-N	-1	0	262.265	0.582	20	30		CCEDRM
CCN(CCC#N)S(=O)(=O)N(C)C[C@@H](C)C(=O)[O-]	ZINC000263454478	330056787	/nfs/dbraw/zinc/05/67/87/330056787.db2.gz	BPHOGAKWAUKMIH-SECBINFHSA-N	-1	0	277.346	0.119	20	30		CCEDRM
CCC[C@@H](NS(=O)(=O)N(CC)C[C@@H](C)C#N)C(=O)[O-]	ZINC000263516133	330058597	/nfs/dbraw/zinc/05/85/97/330058597.db2.gz	ZYUVVVFXPDMFLF-VHSXEESVSA-N	-1	0	291.373	0.556	20	30		CCEDRM
CCN(C[C@H](C)C#N)S(=O)(=O)N1CC[C@H](C(=O)[O-])C1	ZINC000263557139	330059333	/nfs/dbraw/zinc/05/93/33/330059333.db2.gz	PATJGJRVUJITHM-ZJUUUORDSA-N	-1	0	289.357	0.119	20	30		CCEDRM
C=CCCN(C)C(=O)C(=O)N1CCC[C@H](C(=O)[O-])C1	ZINC000422873140	330158688	/nfs/dbraw/zinc/15/86/88/330158688.db2.gz	KFMCZQCJXNVCBN-JTQLQIEISA-N	-1	0	268.313	0.344	20	30		CCEDRM
COCc1nc(=NC(=O)C2(C#N)CC(C)C2)s[n-]1	ZINC000527484457	330249102	/nfs/dbraw/zinc/24/91/02/330249102.db2.gz	ZZYXBEGUNKYFJL-UHFFFAOYSA-N	-1	0	266.326	0.985	20	30		CCEDRM
COc1cncnc1[N-]S(=O)(=O)c1ccc(C#N)nc1	ZINC000580495444	330351335	/nfs/dbraw/zinc/35/13/35/330351335.db2.gz	MQUCOYFZODMRCG-UHFFFAOYSA-N	-1	0	291.292	0.553	20	30		CCEDRM
C=C[C@H](CO)NC(=O)NC[C@H](CC(C)C)C(=O)[O-]	ZINC000424428096	330351768	/nfs/dbraw/zinc/35/17/68/330351768.db2.gz	WQSGTGPOQGQMMC-VHSXEESVSA-N	-1	0	258.318	0.579	20	30		CCEDRM
C=C(C)CN(C)C(=O)C(=O)NC[C@H](CC(C)C)C(=O)[O-]	ZINC000424494363	330357944	/nfs/dbraw/zinc/35/79/44/330357944.db2.gz	PNGXHDPOPVPVHO-NSHDSACASA-N	-1	0	284.356	0.884	20	30		CCEDRM
C=CCCCNC(=O)C(=O)NC[C@H](CC(C)C)C(=O)[O-]	ZINC000424504471	330360453	/nfs/dbraw/zinc/36/04/53/330360453.db2.gz	QYSQTPCDDIXQDX-NSHDSACASA-N	-1	0	284.356	0.932	20	30		CCEDRM
CC#CCN(C)C(=O)N=c1[n-]nc(CCC(=O)OC)s1	ZINC000454822316	331154482	/nfs/dbraw/zinc/15/44/82/331154482.db2.gz	IHPFVIWZDKLFIU-UHFFFAOYSA-N	-1	0	296.352	0.553	20	30		CCEDRM
C=CCC[C@H](CO)NC(=O)N=c1nc2n([n-]1)CCCC2	ZINC000456011031	331182386	/nfs/dbraw/zinc/18/23/86/331182386.db2.gz	LDOQCKMXKFYKCN-SNVBAGLBSA-N	-1	0	279.344	0.485	20	30		CCEDRM
C=CCn1cccc1C(=O)NC(C)(C)c1nnn[n-]1	ZINC000490016412	332076732	/nfs/dbraw/zinc/07/67/32/332076732.db2.gz	GXCPFICRUNKLIB-UHFFFAOYSA-N	-1	0	260.301	0.852	20	30		CCEDRM
C#CCN(Cc1ccccc1)C(=O)c1n[nH]c(=O)[n-]1	ZINC000491806755	332360066	/nfs/dbraw/zinc/36/00/66/332360066.db2.gz	AVWBTMLARATCLJ-UHFFFAOYSA-N	-1	0	256.265	0.786	20	30		CCEDRM
C=CCS(=O)(=O)[N-]C(=O)/C=C\c1ccncn1	ZINC000492740499	332411668	/nfs/dbraw/zinc/41/16/68/332411668.db2.gz	USXGXPXIZGAIND-ARJAWSKDSA-N	-1	0	253.283	0.122	20	30		CCEDRM
C=CCOC[C@H](NC(=O)N[C@H](C)CCOC)C(=O)[O-]	ZINC000575448579	335104733	/nfs/dbraw/zinc/10/47/33/335104733.db2.gz	SVVUMCVEYNIGRK-ZJUUUORDSA-N	-1	0	274.317	0.366	20	30		CCEDRM
CC#CCS(=O)(=O)[N-]C(=O)/C=C/c1cncc(OC)c1	ZINC000493164959	332428924	/nfs/dbraw/zinc/42/89/24/332428924.db2.gz	WLZCQAJHUTWGPN-AATRIKPKSA-N	-1	0	294.332	0.573	20	30		CCEDRM
C=CCOC[C@H](NS(=O)(=O)c1ccccc1)C(=O)[O-]	ZINC000566618383	334657714	/nfs/dbraw/zinc/65/77/14/334657714.db2.gz	IWRDHVGRHGEZRB-NSHDSACASA-N	-1	0	285.321	0.621	20	30		CCEDRM
C#CCNC(=O)c1nn(-c2ccc(OC)cc2)cc1[O-]	ZINC000177146579	333054021	/nfs/dbraw/zinc/05/40/21/333054021.db2.gz	URJFQVRWMVINIY-UHFFFAOYSA-N	-1	0	271.276	0.950	20	30		CCEDRM
C=CCC[C@H](NS(=O)(=O)c1cccnc1)C(=O)[O-]	ZINC000315705314	333383278	/nfs/dbraw/zinc/38/32/78/333383278.db2.gz	FPBFRKWPCUWNFH-JTQLQIEISA-N	-1	0	270.310	0.779	20	30		CCEDRM
CC#CC[C@H](NS(=O)(=O)N1CCC(C)CC1)C(=O)[O-]	ZINC000543787317	333898887	/nfs/dbraw/zinc/89/88/87/333898887.db2.gz	KUEXWMHEPHSTRF-NSHDSACASA-N	-1	0	288.369	0.419	20	30		CCEDRM
CC[C@H](CNS(=O)(=O)N(C)CCC#N)CC(=O)[O-]	ZINC000548596021	334163297	/nfs/dbraw/zinc/16/32/97/334163297.db2.gz	BMFZGIJBHBCWDC-VIFPVBQESA-N	-1	0	277.346	0.167	20	30		CCEDRM
N#Cc1ccc(S(=O)(=O)NCCSCC(=O)[O-])o1	ZINC000554533503	334435935	/nfs/dbraw/zinc/43/59/35/334435935.db2.gz	JOXSSDUVBIHIKE-UHFFFAOYSA-N	-1	0	290.322	0.247	20	30		CCEDRM
N#CC1(CS(=O)(=O)N2CC[C@@H](CC(=O)[O-])C2)CC1	ZINC000555713094	334488010	/nfs/dbraw/zinc/48/80/10/334488010.db2.gz	MFGLCNAXFVPSDO-VIFPVBQESA-N	-1	0	272.326	0.417	20	30		CCEDRM
C[C@@H](CC#N)N(C)S(=O)(=O)N[C@@H](C(=O)[O-])C(C)(C)C	ZINC000567114563	334682186	/nfs/dbraw/zinc/68/21/86/334682186.db2.gz	RFSOCTPVKUSCFT-IUCAKERBSA-N	-1	0	291.373	0.554	20	30		CCEDRM
C=CCC[C@@H](NS(=O)(=O)c1cn(C)c(C)n1)C(=O)[O-]	ZINC000315699233	334810317	/nfs/dbraw/zinc/81/03/17/334810317.db2.gz	AUPXCJZDXKDZKB-SECBINFHSA-N	-1	0	287.341	0.426	20	30		CCEDRM
Cc1[n-][nH]c(=NC(=O)[C@@H]2CCC(=O)c3cccn32)c1C#N	ZINC000576422692	335201967	/nfs/dbraw/zinc/20/19/67/335201967.db2.gz	JGHSNMOKQZYRRJ-NSHDSACASA-N	-1	0	283.291	0.970	20	30		CCEDRM
C=C(C)CS(=O)(=O)N(CCC(=O)[O-])C1CCOCC1	ZINC000577629203	335382464	/nfs/dbraw/zinc/38/24/64/335382464.db2.gz	NBSJXNVHBVBMNE-UHFFFAOYSA-N	-1	0	291.369	0.848	20	30		CCEDRM
Cc1c[nH]cc(C(=O)Nc2nc(C#N)c(C#N)[n-]2)c1=O	ZINC000358460810	533982636	/nfs/dbraw/zinc/98/26/36/533982636.db2.gz	VYBDGTPARMNNPZ-UHFFFAOYSA-N	-1	0	268.236	0.402	20	30		CCEDRM
C=CCCn1cc(C(=O)N2CCO[C@@H](CC(=O)[O-])C2)nn1	ZINC000425241902	517329039	/nfs/dbraw/zinc/32/90/39/517329039.db2.gz	NZFXQWDMVRZVQM-JTQLQIEISA-N	-1	0	294.311	0.170	20	30		CCEDRM
N#Cc1ccc(CS(=O)(=O)N2CC[C@H](C(=O)[O-])C2)cc1	ZINC000062119822	526630693	/nfs/dbraw/zinc/63/06/93/526630693.db2.gz	RLRUEKOFULQVOM-LBPRGKRZSA-N	-1	0	294.332	0.795	20	30		CCEDRM
C=C(C)[C@@H]1OCC[C@H]1CNC(=O)N1CCO[C@H](C(=O)[O-])C1	ZINC000666544992	545125270	/nfs/dbraw/zinc/12/52/70/545125270.db2.gz	FZAGPZIRUSAOGW-SRVKXCTJSA-N	-1	0	298.339	0.463	20	30		CCEDRM
C=CCCCCNC(=O)C(=O)N=c1ncn(C(C)(C)C)[n-]1	ZINC000352155768	527139196	/nfs/dbraw/zinc/13/91/96/527139196.db2.gz	FZWIQEOVBRPDID-UHFFFAOYSA-N	-1	0	293.371	0.866	20	30		CCEDRM
CC[C@H](C)[C@H](NS(=O)(=O)c1cncc(C#N)c1)C(=O)[O-]	ZINC000261834914	535981533	/nfs/dbraw/zinc/98/15/33/535981533.db2.gz	VBOAWAHXNVOVLU-KWQFWETISA-N	-1	0	297.336	0.731	20	30		CCEDRM
C[C@H](CNC(=O)[O-])N(C)S(=O)(=O)c1cccc(C#N)c1	ZINC000738938676	581205604	/nfs/dbraw/zinc/20/56/04/581205604.db2.gz	GQXAKEVCXVIAHN-SECBINFHSA-N	-1	0	297.336	0.835	20	30		CCEDRM
C#CCCS(=O)(=O)[N-]C(=O)c1cccc(OC)c1	ZINC000791109400	581207600	/nfs/dbraw/zinc/20/76/00/581207600.db2.gz	QDORUHAXKRXAGV-UHFFFAOYSA-N	-1	0	267.306	0.778	20	30		CCEDRM
Cc1cccc(S(=O)(=O)NC/C=C\C(=O)[O-])c1C#N	ZINC000788448234	581111899	/nfs/dbraw/zinc/11/18/99/581111899.db2.gz	QWCOITKMFXMMJR-UTCJRWHESA-N	-1	0	280.305	0.786	20	30		CCEDRM
N#CCc1ccccc1CC(=O)NCc1n[nH]c(=O)[n-]1	ZINC000777405829	581114407	/nfs/dbraw/zinc/11/44/07/581114407.db2.gz	UPYWVRRJVNKUDO-UHFFFAOYSA-N	-1	0	271.280	0.435	20	30		CCEDRM
CCN(C[C@H](C)C#N)C(=O)[C@@H]1C[C@H](O)CN1C(=O)[O-]	ZINC000739405648	581131971	/nfs/dbraw/zinc/13/19/71/581131971.db2.gz	ZLVAXABKSGZPOB-UTLUCORTSA-N	-1	0	269.301	0.108	20	30		CCEDRM
CN(CC(=O)[O-])[C@H]1CCN(c2ccc(C#N)cc2)C1=O	ZINC000737988294	581133233	/nfs/dbraw/zinc/13/32/33/581133233.db2.gz	JGRTZDZVKNWFLC-LBPRGKRZSA-N	-1	0	273.292	0.680	20	30		CCEDRM
COCCNC(=O)C(C#N)=C([O-])c1nc(Cl)cs1	ZINC000789405181	581147679	/nfs/dbraw/zinc/14/76/79/581147679.db2.gz	VZMREVYQXDKFAW-ZCFIWIBFSA-N	-1	0	287.728	0.882	20	30		CCEDRM
C=CCS(=O)(=O)[N-]C(=O)CC1CC(OCC)C1	ZINC000789406456	581147878	/nfs/dbraw/zinc/14/78/78/581147878.db2.gz	WUISDGHQXBKMAA-UHFFFAOYSA-N	-1	0	261.343	0.824	20	30		CCEDRM
N#CCN(CC(=O)[O-])C(=O)c1cc([N+](=O)[O-])ccc1F	ZINC000739079471	581172740	/nfs/dbraw/zinc/17/27/40/581172740.db2.gz	XOWYFYGXEVWWNS-UHFFFAOYSA-N	-1	0	281.199	0.784	20	30		CCEDRM
N#Cc1ccccc1C=CC(=O)NCCc1nc(=O)o[n-]1	ZINC000790078107	581175989	/nfs/dbraw/zinc/17/59/89/581175989.db2.gz	BEQBUZPUVRCLTC-AATRIKPKSA-N	-1	0	284.275	0.607	20	30		CCEDRM
N#CCc1ccccc1CC(=O)NCCc1nc(=O)o[n-]1	ZINC000790078271	581176378	/nfs/dbraw/zinc/17/63/78/581176378.db2.gz	FGVQWCIHCPYCMD-UHFFFAOYSA-N	-1	0	286.291	0.330	20	30		CCEDRM
C[C@H](CCNC(=O)NC1CCN(CC#N)CC1)NC(=O)[O-]	ZINC000738906002	581178321	/nfs/dbraw/zinc/17/83/21/581178321.db2.gz	NRJWIHFPRCFOMZ-SNVBAGLBSA-N	-1	0	297.359	0.320	20	30		CCEDRM
CC#CCS(=O)(=O)[N-]C(=O)c1cnn2ccc(C)nc12	ZINC000791110320	581207530	/nfs/dbraw/zinc/20/75/30/581207530.db2.gz	CDFXSISYGQOQPO-UHFFFAOYSA-N	-1	0	292.320	0.121	20	30		CCEDRM
N#CCCN(Cc1ccco1)C(=O)c1cc(=O)[nH][n-]1	ZINC000791345895	581216131	/nfs/dbraw/zinc/21/61/31/581216131.db2.gz	UXOHIVBDMALSTM-UHFFFAOYSA-N	-1	0	260.253	0.398	20	30		CCEDRM
COc1ccc(S(=O)(=O)N(CC#N)CC(=O)[O-])cc1C	ZINC000738057561	581265322	/nfs/dbraw/zinc/26/53/22/581265322.db2.gz	DUOSFFKXAPAHCV-UHFFFAOYSA-N	-1	0	298.320	0.603	20	30		CCEDRM
CC[C@H](NN=C(C)c1cc(C(N)=O)n(C)c1)C(=O)[O-]	ZINC000793054550	581282351	/nfs/dbraw/zinc/28/23/51/581282351.db2.gz	GSIGWYKOMTZJSY-VIFPVBQESA-N	-1	0	266.301	0.301	20	30		CCEDRM
CC[C@H](NN=C(C)Cn1ccccc1=O)C(=O)[O-]	ZINC000793059104	581282699	/nfs/dbraw/zinc/28/26/99/581282699.db2.gz	YLWJFAHTUVUIHG-JTQLQIEISA-N	-1	0	251.286	0.677	20	30		CCEDRM
CNC(=O)C(C#N)=C([O-])c1cccc(-c2nc[nH]n2)c1	ZINC000793126237	581285011	/nfs/dbraw/zinc/28/50/11/581285011.db2.gz	RRPKVYRTHNWLTQ-JTQLQIEISA-N	-1	0	269.264	0.540	20	30		CCEDRM
CO[C@@H](C(=O)[N-]S(=O)(=O)CC1(C#N)CC1)C(C)C	ZINC000793194870	581287806	/nfs/dbraw/zinc/28/78/06/581287806.db2.gz	BSVYOEJQAQBMLE-SECBINFHSA-N	-1	0	274.342	0.407	20	30		CCEDRM
N#CCc1ccc(NC(=O)[C@H]2C[C@@H](O)CN2C(=O)[O-])cc1	ZINC000740309802	581323804	/nfs/dbraw/zinc/32/38/04/581323804.db2.gz	BQQWWWPQAKPNBU-VXGBXAGGSA-N	-1	0	289.291	0.804	20	30		CCEDRM
C[C@H]1C[C@H](Cn2ccc(C=NO)nc2=O)CCO1	ZINC000783027097	581334082	/nfs/dbraw/zinc/33/40/82/581334082.db2.gz	SLYPDQABQMUDMA-VHSXEESVSA-N	-1	0	251.286	0.867	20	30		CCEDRM
C=CC[C@H](C)NC(=O)NCC(=O)N1CCN(C(=O)[O-])CC1	ZINC000738488515	581358363	/nfs/dbraw/zinc/35/83/63/581358363.db2.gz	KXDFCMJNPQEPRS-JTQLQIEISA-N	-1	0	298.343	0.072	20	30		CCEDRM
C=CC[NH+]1CCC(NC(=O)[C@@H]2CSCN2C(=O)[O-])CC1	ZINC000738491549	581361138	/nfs/dbraw/zinc/36/11/38/581361138.db2.gz	KFWVVESAITZLFG-NSHDSACASA-N	-1	0	299.396	0.806	20	30		CCEDRM
C=CCCOCC(=O)NC[C@H]1CCCN1C(=O)[O-]	ZINC000738494215	581361626	/nfs/dbraw/zinc/36/16/26/581361626.db2.gz	XLGYIIYASCFMIJ-SNVBAGLBSA-N	-1	0	256.302	0.838	20	30		CCEDRM
C=CCNC(=O)COC(=O)C1(NC(=O)[O-])CCCC1	ZINC000738494817	581362189	/nfs/dbraw/zinc/36/21/89/581362189.db2.gz	FFEGKBJJBNRCRQ-UHFFFAOYSA-N	-1	0	270.285	0.412	20	30		CCEDRM
C[C@@H]1C[C@H](C(=O)C(C#N)=C([O-])c2nccn2C)CO1	ZINC000784527909	581387103	/nfs/dbraw/zinc/38/71/03/581387103.db2.gz	XKIFJMHKBJYWFS-KXUCPTDWSA-N	-1	0	261.281	0.737	20	30		CCEDRM
CC(C)[C@H]([N-]C(=O)C(F)(F)F)C(=O)OCC#N	ZINC000786766478	581448376	/nfs/dbraw/zinc/44/83/76/581448376.db2.gz	XADQXILETBADCW-LURJTMIESA-N	-1	0	252.192	0.756	20	30		CCEDRM
N#Cc1ccc(S(=O)(=O)[N-]C(=O)CC2OCCO2)cc1	ZINC000796723580	581449195	/nfs/dbraw/zinc/44/91/95/581449195.db2.gz	MWMBOCPKBASDAA-UHFFFAOYSA-N	-1	0	296.304	0.126	20	30		CCEDRM
C=CCNC(=O)C(C#N)=C([O-])c1cnn2c1OCCC2	ZINC000796745062	581449736	/nfs/dbraw/zinc/44/97/36/581449736.db2.gz	KHMYRGGVFFMJNG-VIFPVBQESA-N	-1	0	274.280	0.290	20	30		CCEDRM
C=CCS(=O)(=O)[N-]C(=O)c1occ2c1CCOC2	ZINC000797183142	581461195	/nfs/dbraw/zinc/46/11/95/581461195.db2.gz	HJCZFNUBMOMSNU-UHFFFAOYSA-N	-1	0	271.294	0.598	20	30		CCEDRM
C#CCCS(=O)(=O)[N-]C(=O)c1c(C)nsc1C	ZINC000797201327	581461538	/nfs/dbraw/zinc/46/15/38/581461538.db2.gz	YZQVWLVEORBXBJ-UHFFFAOYSA-N	-1	0	272.351	0.843	20	30		CCEDRM
Cn1nncc1[N-]S(=O)(=O)c1cccc(C#N)c1	ZINC000788206052	581485274	/nfs/dbraw/zinc/48/52/74/581485274.db2.gz	UZQNVZLPUIGZIW-UHFFFAOYSA-N	-1	0	263.282	0.488	20	30		CCEDRM
N#Cc1ccccc1OCC(=O)OCCNC(=O)[O-]	ZINC000739146896	581511564	/nfs/dbraw/zinc/51/15/64/581511564.db2.gz	LUHPKFLQPLOJOS-UHFFFAOYSA-N	-1	0	264.237	0.748	20	30		CCEDRM
C[C@@H]1CN(C(=O)[O-])CCN1C(=O)c1ccc(C#N)cn1	ZINC000739156171	581513157	/nfs/dbraw/zinc/51/31/57/581513157.db2.gz	KOLZRASUEZGNAD-SECBINFHSA-N	-1	0	274.280	0.778	20	30		CCEDRM
CC(C)[C@@H](CNC(=O)N1CCO[C@@H](C#N)C1)NC(=O)[O-]	ZINC000738782911	581541550	/nfs/dbraw/zinc/54/15/50/581541550.db2.gz	GGOHQVVCIUXUSX-VHSXEESVSA-N	-1	0	284.316	0.213	20	30		CCEDRM
C#CCOCCNC(=O)c1cc([O-])cc([N+](=O)[O-])c1	ZINC000753520925	581545734	/nfs/dbraw/zinc/54/57/34/581545734.db2.gz	GFMFTVPQKNHNPZ-UHFFFAOYSA-N	-1	0	264.237	0.680	20	30		CCEDRM
CCN(CCNC(=O)c1ccc(C#N)nc1)C(=O)[O-]	ZINC000739434559	581552398	/nfs/dbraw/zinc/55/23/98/581552398.db2.gz	QYCCQQSBAOEGHC-UHFFFAOYSA-N	-1	0	262.269	0.683	20	30		CCEDRM
CO[C@H](C)C(=O)[N-]S(=O)(=O)c1cc(C#N)ccc1C	ZINC000734291429	581554246	/nfs/dbraw/zinc/55/42/46/581554246.db2.gz	PIUNXADUJNVIFH-SECBINFHSA-N	-1	0	282.321	0.707	20	30		CCEDRM
C=CCNC(=O)C(C#N)=C([O-])c1ccc2c(c1)nnn2C	ZINC000729189126	581557827	/nfs/dbraw/zinc/55/78/27/581557827.db2.gz	WPOAAQUVBDYICZ-SNVBAGLBSA-N	-1	0	283.291	0.593	20	30		CCEDRM
CN(CCCNC(=O)[O-])[C@H](C(N)=O)c1ccc(C#N)cc1	ZINC000739677281	581590891	/nfs/dbraw/zinc/59/08/91/581590891.db2.gz	USANHLIHKCJMFL-LBPRGKRZSA-N	-1	0	290.323	0.674	20	30		CCEDRM
CS(=O)(=O)CCNN=Cc1cc(C(=O)[O-])ccc1O	ZINC000738153004	581604348	/nfs/dbraw/zinc/60/43/48/581604348.db2.gz	GBYXZRHMZRWCRG-UHFFFAOYSA-N	-1	0	286.309	0.059	20	30		CCEDRM
CN(CC#N)C(=O)C(C)(C)N1CCN(C(=O)[O-])CC1	ZINC000739616208	581615419	/nfs/dbraw/zinc/61/54/19/581615419.db2.gz	DUMKQFPLNMBPTA-UHFFFAOYSA-N	-1	0	268.317	0.043	20	30		CCEDRM
COCCN(CC(=O)N[C@@H](C#N)C1CC1)C(=O)[O-]	ZINC000739822477	581625356	/nfs/dbraw/zinc/62/53/56/581625356.db2.gz	LEPNAPSPHNSPCO-VIFPVBQESA-N	-1	0	255.274	0.031	20	30		CCEDRM
C=CCNC(=O)C(C#N)=C([O-])c1cc(OC(F)F)n(C)n1	ZINC000767960908	581638911	/nfs/dbraw/zinc/63/89/11/581638911.db2.gz	VTLLFCZFVZLONH-ZETCQYMHSA-N	-1	0	298.249	0.646	20	30		CCEDRM
C=C(C)C[C@H](C)C(=O)[N-]S(=O)(=O)[C@@H]1CCOC1	ZINC000767991384	581639845	/nfs/dbraw/zinc/63/98/45/581639845.db2.gz	SDQKIPZQLGJTSR-VHSXEESVSA-N	-1	0	261.343	0.824	20	30		CCEDRM
CSCC[C@@H](NC(=O)[O-])C(=O)NC[C@H](C)C#N	ZINC000740019453	581644838	/nfs/dbraw/zinc/64/48/38/581644838.db2.gz	XEFGQNJQNJZIEM-HTQZYQBOSA-N	-1	0	259.331	0.652	20	30		CCEDRM
C#CCCS(=O)(=O)[N-]C(=O)[C@H](OC)c1ccccc1	ZINC000788071980	581650219	/nfs/dbraw/zinc/65/02/19/581650219.db2.gz	RZHLYZSWVAQBSF-GFCCVEGCSA-N	-1	0	281.333	0.843	20	30		CCEDRM
N#CCCCCS(=O)(=O)NC[C@@H]1CCCN1C(=O)[O-]	ZINC000740308169	581663390	/nfs/dbraw/zinc/66/33/90/581663390.db2.gz	XBXXNDXZJGQLST-JTQLQIEISA-N	-1	0	289.357	0.742	20	30		CCEDRM
N#CCCCCOC(=O)[C@@H]1C[C@@H](O)CN1C(=O)[O-]	ZINC000740308350	581663426	/nfs/dbraw/zinc/66/34/26/581663426.db2.gz	XTPHKAUXZBOYDP-BDAKNGLRSA-N	-1	0	256.258	0.337	20	30		CCEDRM
N#CC1(NC(=O)COCCNC(=O)[O-])CCCCC1	ZINC000740309972	581663842	/nfs/dbraw/zinc/66/38/42/581663842.db2.gz	QFSNQMMVBBGXSE-UHFFFAOYSA-N	-1	0	269.301	0.613	20	30		CCEDRM
N#Cc1cccc(CS(=O)(=O)NCCCNC(=O)[O-])c1	ZINC000740320510	581665353	/nfs/dbraw/zinc/66/53/53/581665353.db2.gz	SOZDXZJUPHKMRY-UHFFFAOYSA-N	-1	0	297.336	0.635	20	30		CCEDRM
COc1ccnc(C([O-])=C(C#N)C(=O)NC(C)C)c1	ZINC000735911672	581670624	/nfs/dbraw/zinc/67/06/24/581670624.db2.gz	SPQYFAVROXYZKD-SNVBAGLBSA-N	-1	0	261.281	0.937	20	30		CCEDRM
O=C([O-])N1CC(N=Nc2nc(-c3ccncc3)no2)C1	ZINC000740488133	581686181	/nfs/dbraw/zinc/68/61/81/581686181.db2.gz	DFHKWSDBYONUEO-UHFFFAOYSA-N	-1	0	274.240	0.893	20	30		CCEDRM
C#CCNC(=O)CN1C[C@@H](C(=O)[O-])Oc2ccccc21	ZINC000736079979	581687946	/nfs/dbraw/zinc/68/79/46/581687946.db2.gz	QBSSZKMZNRCRCL-LBPRGKRZSA-N	-1	0	274.276	0.088	20	30		CCEDRM
C#CCN(CC#CC)C(=S)NCCCC(=O)[O-]	ZINC000736076266	581694671	/nfs/dbraw/zinc/69/46/71/581694671.db2.gz	DENWHVPTKNDNAQ-UHFFFAOYSA-N	-1	0	252.339	0.684	20	30		CCEDRM
C#CCCNC(=O)C(=O)Nc1ccc(C(=O)[O-])c(C)c1	ZINC000736077359	581695447	/nfs/dbraw/zinc/69/54/47/581695447.db2.gz	RQFGAYXMCZBDOG-UHFFFAOYSA-N	-1	0	274.276	0.771	20	30		CCEDRM
C=CCOCC(=O)N1CCC2(C[C@H]2C(=O)[O-])CC1	ZINC000736109229	581701107	/nfs/dbraw/zinc/70/11/07/581701107.db2.gz	BNXYZZKJXZOLDX-JTQLQIEISA-N	-1	0	253.298	0.902	20	30		CCEDRM
N#CC1(CS(=O)(=O)[N-]C(=O)c2ccoc2)CC1	ZINC000753946092	581713585	/nfs/dbraw/zinc/71/35/85/581713585.db2.gz	XVMVUTAGNCOOJM-UHFFFAOYSA-N	-1	0	254.267	0.643	20	30		CCEDRM
C#Cc1cccc(NC(=O)Cn2[n-]cc3c(=O)ncnc2-3)c1	ZINC000730520970	581717051	/nfs/dbraw/zinc/71/70/51/581717051.db2.gz	NFWVOGHWKNEORN-UHFFFAOYSA-N	-1	0	293.286	0.691	20	30		CCEDRM
O=C([O-])CCOc1cccc(C=NN2CN=NC2=O)c1	ZINC000770613914	581755756	/nfs/dbraw/zinc/75/57/56/581755756.db2.gz	CTZGLFMRWOOJNJ-UHFFFAOYSA-N	-1	0	276.252	0.719	20	30		CCEDRM
O=C1CNC(=O)N1N=Cc1ccc([O-])c([N+](=O)[O-])c1	ZINC000770616657	581757009	/nfs/dbraw/zinc/75/70/09/581757009.db2.gz	VQTPLNRQDURIAQ-UHFFFAOYSA-N	-1	0	264.197	0.186	20	30		CCEDRM
Cn1ccnc1C([O-])=C(C#N)C(=O)[C@@H]1CCCOC1	ZINC000770869435	581775704	/nfs/dbraw/zinc/77/57/04/581775704.db2.gz	WMVYZAUCHMJJRO-ZJUUUORDSA-N	-1	0	261.281	0.738	20	30		CCEDRM
N#CCc1ccc(C(=O)N2CCO[C@@H](c3nnn[n-]3)C2)cc1	ZINC000759027645	581781312	/nfs/dbraw/zinc/78/13/12/581781312.db2.gz	OHIWYKLRGISJRP-GFCCVEGCSA-N	-1	0	298.306	0.479	20	30		CCEDRM
Cc1cc(C(=O)[N-]S(=O)(=O)CC2(C#N)CCC2)nn1C	ZINC000771077240	581789853	/nfs/dbraw/zinc/78/98/53/581789853.db2.gz	CUWBOOGVOFQXSH-UHFFFAOYSA-N	-1	0	296.352	0.482	20	30		CCEDRM
CCn1cc(C(=O)[N-]S(=O)(=O)CC2(C#N)CCC2)cn1	ZINC000771076860	581789863	/nfs/dbraw/zinc/78/98/63/581789863.db2.gz	AFGLQESTBHPRLB-UHFFFAOYSA-N	-1	0	296.352	0.656	20	30		CCEDRM
C[C@]1(C(=O)[N-]S(=O)(=O)CC2(C#N)CCC2)CCCO1	ZINC000771081294	581790249	/nfs/dbraw/zinc/79/02/49/581790249.db2.gz	VKGJRDKNENRTRJ-LLVKDONJSA-N	-1	0	286.353	0.695	20	30		CCEDRM
N#CC1(CS(=O)(=O)[N-]C(=O)CCn2cccn2)CCC1	ZINC000771081204	581790417	/nfs/dbraw/zinc/79/04/17/581790417.db2.gz	VBWLNQYCXSLEDW-UHFFFAOYSA-N	-1	0	296.352	0.413	20	30		CCEDRM
CCc1nn(C)cc1C([O-])=C(C#N)C(=O)NC1CC1	ZINC000771260716	581797820	/nfs/dbraw/zinc/79/78/20/581797820.db2.gz	KPBCBPWBUXVJAE-SECBINFHSA-N	-1	0	260.297	0.584	20	30		CCEDRM
C#CCCCC(=O)[N-]S(=O)(=O)c1ccccn1	ZINC000759522606	581802969	/nfs/dbraw/zinc/80/29/69/581802969.db2.gz	WKKNPFCOWPXHCI-UHFFFAOYSA-N	-1	0	252.295	0.690	20	30		CCEDRM
C#CCCCC(=O)[N-]S(=O)(=O)Cc1ccon1	ZINC000759548447	581805655	/nfs/dbraw/zinc/80/56/55/581805655.db2.gz	DNMSWRQEOZWANZ-UHFFFAOYSA-N	-1	0	256.283	0.424	20	30		CCEDRM
CCN(C)S(=O)(=O)[N-]C(=O)CCc1ccc(C#N)cc1	ZINC000744240286	581835636	/nfs/dbraw/zinc/83/56/36/581835636.db2.gz	DVGWXOMABFKDHA-UHFFFAOYSA-N	-1	0	295.364	0.804	20	30		CCEDRM
N#Cc1ccc(NCC(=O)[N-]OCC(F)F)nc1	ZINC000760161339	581847028	/nfs/dbraw/zinc/84/70/28/581847028.db2.gz	YLIIZVQAODMUCO-UHFFFAOYSA-N	-1	0	256.212	0.678	20	30		CCEDRM
C=CC[C@@H](CO)CNC(=O)C(C)(C)[N-]C(=O)C(F)(F)F	ZINC000760492488	581862093	/nfs/dbraw/zinc/86/20/93/581862093.db2.gz	UBPTVLZPVPZNCB-MRVPVSSYSA-N	-1	0	296.289	0.744	20	30		CCEDRM
CC1=CC(=O)C(=C([O-])C=Cc2ccn(C)n2)C(=O)O1	ZINC000773145219	581878384	/nfs/dbraw/zinc/87/83/84/581878384.db2.gz	QBFKIDHLEGKMGM-MVZIDQBPSA-N	-1	0	260.249	0.648	20	30		CCEDRM
C=CCS(=O)(=O)[N-]C(=O)[C@@H](C)NC(=O)C1CCCC1	ZINC000772710414	581884836	/nfs/dbraw/zinc/88/48/36/581884836.db2.gz	NAAMWSVWTXFOSY-SECBINFHSA-N	-1	0	288.369	0.313	20	30		CCEDRM
C=CCS(=O)(=O)[N-]C(=O)COc1ccccc1C#N	ZINC000772720345	581886123	/nfs/dbraw/zinc/88/61/23/581886123.db2.gz	JUNIUQHWDHEDEP-UHFFFAOYSA-N	-1	0	280.305	0.569	20	30		CCEDRM
C=CCS(=O)(=O)[N-]C(=O)c1cc(-c2ccoc2)n[nH]1	ZINC000772721360	581886735	/nfs/dbraw/zinc/88/67/35/581886735.db2.gz	NELQRGSQLBPXES-UHFFFAOYSA-N	-1	0	281.293	0.915	20	30		CCEDRM
C=CCS(=O)(=O)[N-]C(=O)c1cnn(C)c1C(F)F	ZINC000772721881	581886788	/nfs/dbraw/zinc/88/67/88/581886788.db2.gz	ZYCWPIUOPAZDDV-UHFFFAOYSA-N	-1	0	279.268	0.603	20	30		CCEDRM
CCN(C[C@@H](C)C#N)C(=O)CN1CCC[C@H]1C(=O)[O-]	ZINC000737078730	581897857	/nfs/dbraw/zinc/89/78/57/581897857.db2.gz	RHQIVDSTYMYTBW-QWRGUYRKSA-N	-1	0	267.329	0.544	20	30		CCEDRM
CCN(C[C@H](C)C#N)C(=O)COC(=O)C(C)(C)NC(=O)[O-]	ZINC000737078706	581897985	/nfs/dbraw/zinc/89/79/85/581897985.db2.gz	PZNMBDKMMYMJCS-SECBINFHSA-N	-1	0	299.327	0.584	20	30		CCEDRM
CCN(CCC#N)C(=O)COC(=O)[C@@H]1C[C@@H]1C(=O)[O-]	ZINC000737094547	581903035	/nfs/dbraw/zinc/90/30/35/581903035.db2.gz	SNRYVDARNUUDHC-DTWKUNHWSA-N	-1	0	268.269	0.012	20	30		CCEDRM
C=CCN(CC(=O)[O-])C(=O)[C@H](C)NC(=O)C1CCCC1	ZINC000762050791	581929746	/nfs/dbraw/zinc/92/97/46/581929746.db2.gz	VDMVVKHNODZNMM-JTQLQIEISA-N	-1	0	282.340	0.781	20	30		CCEDRM
C=CCN(CC(=O)[O-])C(=O)CS(=O)(=O)C1CCCC1	ZINC000762048522	581929751	/nfs/dbraw/zinc/92/97/51/581929751.db2.gz	ROKYMVJIKMDVRV-UHFFFAOYSA-N	-1	0	289.353	0.443	20	30		CCEDRM
CCOCCO[N-]C(=O)C(=O)Nc1cc(C#N)ccc1C	ZINC000773618321	581936533	/nfs/dbraw/zinc/93/65/33/581936533.db2.gz	KRSQBDPCEVXGNO-UHFFFAOYSA-N	-1	0	291.307	0.890	20	30		CCEDRM
C#CCCCCC(=O)[N-]S(=O)(=O)N(C)C(C)C	ZINC000773784899	581941742	/nfs/dbraw/zinc/94/17/42/581941742.db2.gz	JESXXPRBTZJMLR-UHFFFAOYSA-N	-1	0	260.359	0.881	20	30		CCEDRM
C#CCCCCC(=O)[N-]S(=O)(=O)c1cnn(CC)c1	ZINC000773785117	581941877	/nfs/dbraw/zinc/94/18/77/581941877.db2.gz	OOTIDWUAANOLCG-UHFFFAOYSA-N	-1	0	283.353	0.902	20	30		CCEDRM
CN(C)c1ccc(C(=O)N(CC#N)CC(=O)[O-])cc1	ZINC000737373660	581949133	/nfs/dbraw/zinc/94/91/33/581949133.db2.gz	FBBREAAJJDSTHR-UHFFFAOYSA-N	-1	0	261.281	0.803	20	30		CCEDRM
C#CCOCCNC(=O)c1ccc([N+](=O)[O-])cc1[O-]	ZINC000773970363	581950591	/nfs/dbraw/zinc/95/05/91/581950591.db2.gz	FNKHMUAZNKFLTI-UHFFFAOYSA-N	-1	0	264.237	0.680	20	30		CCEDRM
CN(CC(=O)N(CC#N)CC(=O)[O-])C(=O)c1cccs1	ZINC000737388410	581951375	/nfs/dbraw/zinc/95/13/75/581951375.db2.gz	ZVMCWECBSCUSEF-UHFFFAOYSA-N	-1	0	295.320	0.257	20	30		CCEDRM
CN(CC(=O)Nc1nc2n(c1C#N)CCS2)C(=O)[O-]	ZINC000737399103	581953314	/nfs/dbraw/zinc/95/33/14/581953314.db2.gz	CGKLGSSNHFXNGP-UHFFFAOYSA-N	-1	0	281.297	0.409	20	30		CCEDRM
C#CCSCCNC(=O)N1CCCN(C(=O)[O-])CC1	ZINC000737495346	581965133	/nfs/dbraw/zinc/96/51/33/581965133.db2.gz	CEVQGXKJRZLBNF-UHFFFAOYSA-N	-1	0	285.369	0.748	20	30		CCEDRM
Cc1cc(C)n(CCC(=O)N(CC#N)CC(=O)[O-])n1	ZINC000738377506	582041666	/nfs/dbraw/zinc/04/16/66/582041666.db2.gz	WIQVYDSXJTXBOQ-UHFFFAOYSA-N	-1	0	264.285	0.327	20	30		CCEDRM
N#CCN1CCC(NC(=O)[C@H]2CCCN(C(=O)[O-])C2)CC1	ZINC000738426631	582048448	/nfs/dbraw/zinc/04/84/48/582048448.db2.gz	SJTWSIHRZZSJKF-NSHDSACASA-N	-1	0	294.355	0.481	20	30		CCEDRM
COCCCOCC(=O)C(C#N)=C([O-])c1nccn1C	ZINC000776097862	582050917	/nfs/dbraw/zinc/05/09/17/582050917.db2.gz	ROHDFQFNBFWDMT-SNVBAGLBSA-N	-1	0	279.296	0.365	20	30		CCEDRM
Cc1cc(OCC(=O)[N-]S(=O)(=O)CCCC#N)no1	ZINC000776115133	582051814	/nfs/dbraw/zinc/05/18/14/582051814.db2.gz	HURAEVQCTUCNPT-UHFFFAOYSA-N	-1	0	287.297	0.112	20	30		CCEDRM
CCCn1cc(C(=O)[N-]S(=O)(=O)CCCC#N)nn1	ZINC000776114714	582051819	/nfs/dbraw/zinc/05/18/19/582051819.db2.gz	BJNPRDNXMISLCK-UHFFFAOYSA-N	-1	0	285.329	0.051	20	30		CCEDRM
C#Cc1ccc(C(=O)N2CCN(C(=O)[O-])[C@H](C)C2)cn1	ZINC000738466426	582053937	/nfs/dbraw/zinc/05/39/37/582053937.db2.gz	AGNJEHIVHGYKRO-SNVBAGLBSA-N	-1	0	273.292	0.887	20	30		CCEDRM
COCCCC(=O)[N-]S(=O)(=O)CC(C)(C)C#N	ZINC000776140570	582054036	/nfs/dbraw/zinc/05/40/36/582054036.db2.gz	BEIIIXCHBZSZNL-UHFFFAOYSA-N	-1	0	262.331	0.409	20	30		CCEDRM
COCCCCC(=O)[N-]S(=O)(=O)CC(C)(C)C#N	ZINC000776146944	582054946	/nfs/dbraw/zinc/05/49/46/582054946.db2.gz	SABKVBYVLWDXKI-UHFFFAOYSA-N	-1	0	276.358	0.799	20	30		CCEDRM
CC(C)(C#N)CS(=O)(=O)[N-]C(=O)c1ccc(C#N)nc1	ZINC000776147078	582055058	/nfs/dbraw/zinc/05/50/58/582055058.db2.gz	WHFWNKJJFFLDOJ-UHFFFAOYSA-N	-1	0	292.320	0.563	20	30		CCEDRM
C=CCOCC(=O)NC[C@@H]1CCCCN1C(=O)[O-]	ZINC000738491211	582056081	/nfs/dbraw/zinc/05/60/81/582056081.db2.gz	JENAKXQIFUVEJC-JTQLQIEISA-N	-1	0	256.302	0.838	20	30		CCEDRM
COCCCNC(=O)C(C#N)=C([O-])c1ncccc1C	ZINC000750683427	582056235	/nfs/dbraw/zinc/05/62/35/582056235.db2.gz	TVYIXEVGJZDRGR-NSHDSACASA-N	-1	0	275.308	0.865	20	30		CCEDRM
C=CCSCCNC(=O)N1CC[C@@H](NC(=O)[O-])C1	ZINC000738506008	582057047	/nfs/dbraw/zinc/05/70/47/582057047.db2.gz	VVAXXALFETUGFZ-SECBINFHSA-N	-1	0	273.358	0.957	20	30		CCEDRM
CS(=O)(=O)NN=Cc1ccccc1OCC(=O)[O-]	ZINC000764699510	582062672	/nfs/dbraw/zinc/06/26/72/582062672.db2.gz	GFBOQDSBLQZDGD-UHFFFAOYSA-N	-1	0	272.282	0.033	20	30		CCEDRM
C=CCCS(=O)(=O)N[C@@H](C(=O)[O-])[C@@H](O)c1ccccc1	ZINC000776601993	582084434	/nfs/dbraw/zinc/08/44/34/582084434.db2.gz	MSHRTYHDDAKZJU-NEPJUHHUSA-N	-1	0	299.348	0.669	20	30		CCEDRM
Cc1noc(C)c1[C@@H](C)C(=O)N(CC#N)CC(=O)[O-]	ZINC000738939440	582091628	/nfs/dbraw/zinc/09/16/28/582091628.db2.gz	ATQUJYQQZFTHAZ-SSDOTTSWSA-N	-1	0	265.269	0.832	20	30		CCEDRM
Cn1cc(C#N)cc1C(=O)[N-]S(=O)(=O)CC(F)(F)F	ZINC000751854178	582094426	/nfs/dbraw/zinc/09/44/26/582094426.db2.gz	XWZXIPJTWPGFTD-UHFFFAOYSA-N	-1	0	295.242	0.519	20	30		CCEDRM
N#C[C@@H](C(=O)CCCNC(=O)[O-])C(=O)NC1CCCC1	ZINC000739073534	582101129	/nfs/dbraw/zinc/10/11/29/582101129.db2.gz	DBLNARDQBLIAMT-JTQLQIEISA-N	-1	0	281.312	0.802	20	30		CCEDRM
N#CCN(CC(=O)[O-])C(=O)Cn1cnc2ccccc21	ZINC000739078217	582101410	/nfs/dbraw/zinc/10/14/10/582101410.db2.gz	BUSDMKIWRLHWIS-UHFFFAOYSA-N	-1	0	272.264	0.473	20	30		CCEDRM
N#CCN(CC(=O)[O-])S(=O)(=O)CCc1ccccc1	ZINC000739086468	582101849	/nfs/dbraw/zinc/10/18/49/582101849.db2.gz	RHLVTOBTSZEQJC-UHFFFAOYSA-N	-1	0	282.321	0.469	20	30		CCEDRM
N#Cc1ccc([C@H](OC(=O)[C@H]2COCCO2)C(=O)[O-])cc1	ZINC000739109502	582103021	/nfs/dbraw/zinc/10/30/21/582103021.db2.gz	LPJRYEQXMSSAAN-NEPJUHHUSA-N	-1	0	291.259	0.643	20	30		CCEDRM
C=C(Br)CNC(=O)NCC(=O)[N-]OCC	ZINC000845550608	613236905	/nfs/dbraw/zinc/23/69/05/613236905.db2.gz	ONKIBRWPVGCGQQ-UHFFFAOYSA-N	-1	0	280.122	0.262	20	30		CCEDRM
C=C(C)C[C@@H](C)C(=O)[N-]S(=O)(=O)C[C@H](COC)OC	ZINC000853205958	613354332	/nfs/dbraw/zinc/35/43/32/613354332.db2.gz	LTJJADKXPWHRPL-MNOVXSKESA-N	-1	0	293.385	0.696	20	30		CCEDRM
CCC(C#N)(CC)C(=O)N[C@H](CCOC)C(=O)[O-]	ZINC000923077859	614470879	/nfs/dbraw/zinc/47/08/79/614470879.db2.gz	ABWBVLOQKDFODI-SECBINFHSA-N	-1	0	256.302	0.922	20	30		CCEDRM
COC[C@@H](C#N)OC(=O)C[C@@H]1CCCN1C(=O)[O-]	ZINC000833881988	616773439	/nfs/dbraw/zinc/77/34/39/616773439.db2.gz	GWCNHVYNMGEFBL-DTWKUNHWSA-N	-1	0	256.258	0.601	20	30		CCEDRM
COc1ccc(C#N)cc1CN1CCO[C@@H](C(=O)[O-])C1	ZINC000131407570	597350921	/nfs/dbraw/zinc/35/09/21/597350921.db2.gz	BRHGQAMSMKOIQW-CYBMUJFWSA-N	-1	0	276.292	0.852	20	30		CCEDRM
N#CCc1ccc(C(=O)N2CCO[C@H](C(=O)[O-])C2)cc1	ZINC000262091560	597425378	/nfs/dbraw/zinc/42/53/78/597425378.db2.gz	LSALVTSRHGPMAH-LBPRGKRZSA-N	-1	0	274.276	0.678	20	30		CCEDRM
C[C@@H](C(=O)[O-])N(C)CC(=O)NCc1ccc(C#N)cc1	ZINC000817772372	597472986	/nfs/dbraw/zinc/47/29/86/597472986.db2.gz	WNIHMJKXMQSPDI-JTQLQIEISA-N	-1	0	275.308	0.579	20	30		CCEDRM
C[C@H](C(=O)[O-])N(C)CC(=O)NCc1cccc(C#N)c1	ZINC000817772303	597476773	/nfs/dbraw/zinc/47/67/73/597476773.db2.gz	SKDVNDSOKDFLJT-SNVBAGLBSA-N	-1	0	275.308	0.579	20	30		CCEDRM
N#CCN1CCC(CNC(=O)CSCC(=O)[O-])CC1	ZINC000819091242	597484322	/nfs/dbraw/zinc/48/43/22/597484322.db2.gz	WDLPDAYBEDHFFC-UHFFFAOYSA-N	-1	0	285.369	0.156	20	30		CCEDRM
C[C@@](C#N)(CC(=O)[O-])C(=O)NCCCC(=O)NC1CC1	ZINC000819833921	597607135	/nfs/dbraw/zinc/60/71/35/597607135.db2.gz	KLCKTQSNHVAUCF-ZDUSSCGKSA-N	-1	0	281.312	0.166	20	30		CCEDRM
C[C@@](C#N)(CC(=O)[O-])C(=O)OCC(=O)c1ccc[nH]1	ZINC000819866746	597620903	/nfs/dbraw/zinc/62/09/03/597620903.db2.gz	ZGLCAXFAYJNQFT-LBPRGKRZSA-N	-1	0	264.237	0.745	20	30		CCEDRM
C[C@@H](Cn1ccnc1)NC(=O)[C@@](C)(C#N)CC(=O)[O-]	ZINC000820107560	597633233	/nfs/dbraw/zinc/63/32/33/597633233.db2.gz	MYRGJVXKDIRWHA-JOYOIKCWSA-N	-1	0	264.285	0.392	20	30		CCEDRM
C[C@@](C#N)(CC(=O)[O-])C(=O)N1CCC(CC(N)=O)CC1	ZINC000819811405	597634168	/nfs/dbraw/zinc/63/41/68/597634168.db2.gz	OAPRWULWLNEFLD-ZDUSSCGKSA-N	-1	0	281.312	0.105	20	30		CCEDRM
Cn1cc(CNC(=O)[C@@](C)(C#N)CC(=O)[O-])cn1	ZINC000821287258	597639185	/nfs/dbraw/zinc/63/91/85/597639185.db2.gz	GOMJYZVQZXBYSV-LLVKDONJSA-N	-1	0	250.258	0.041	20	30		CCEDRM
C[C@](C#N)(CC(=O)[O-])C(=O)NCc1nccn1C(F)F	ZINC000819846481	597639731	/nfs/dbraw/zinc/63/97/31/597639731.db2.gz	CZZFLIAJSSRLSK-LLVKDONJSA-N	-1	0	286.238	0.899	20	30		CCEDRM
C[C@H](NC(=O)[C@@](C)(C#N)CC(=O)[O-])[C@H](C)N1CCOCC1	ZINC000820114489	597644468	/nfs/dbraw/zinc/64/44/68/597644468.db2.gz	NXTGGQPJCGUDKB-COPLHBTASA-N	-1	0	297.355	0.216	20	30		CCEDRM
C[C@@](C#N)(CC(=O)[O-])C(=O)NCCOCC1CC1	ZINC000819843225	597645714	/nfs/dbraw/zinc/64/57/14/597645714.db2.gz	ZLAWEQSTKVPWKS-LBPRGKRZSA-N	-1	0	254.286	0.534	20	30		CCEDRM
C[C@@](C#N)(CC(=O)[O-])C(=O)N1CCC(CO)CC1	ZINC000819811259	597659496	/nfs/dbraw/zinc/65/94/96/597659496.db2.gz	MMQSRMLJJUIOOJ-LBPRGKRZSA-N	-1	0	254.286	0.222	20	30		CCEDRM
C[C@@](C#N)(CC(=O)[O-])C(=O)NC[C@H]1CC(=O)N(C2CC2)C1	ZINC000819835659	597664400	/nfs/dbraw/zinc/66/44/00/597664400.db2.gz	WRCHWCNBNYRWDJ-OTYXRUKQSA-N	-1	0	293.323	0.118	20	30		CCEDRM
N#Cc1ccc([C@@H](O)C(=O)N2CC[C@@H](C(=O)[O-])C2)cc1	ZINC000821329548	597669049	/nfs/dbraw/zinc/66/90/49/597669049.db2.gz	ASCMPLMOUUHNQN-VXGBXAGGSA-N	-1	0	274.276	0.525	20	30		CCEDRM
Cn1ccsc1=NC(=O)[C@@](C)(C#N)CC(=O)[O-]	ZINC000821305296	598222546	/nfs/dbraw/zinc/22/25/46/598222546.db2.gz	VVYIEVFXNMMQBZ-SNVBAGLBSA-N	-1	0	253.283	0.518	20	30		CCEDRM
Cc1cc(CNC(=O)[C@@](C)(C#N)CC(=O)[O-])no1	ZINC000820976680	598225354	/nfs/dbraw/zinc/22/53/54/598225354.db2.gz	RNWYNTOBUKDTBW-LLVKDONJSA-N	-1	0	251.242	0.604	20	30		CCEDRM
C[C@@](C#N)(CC(=O)[O-])C(=O)NC1CCN(CC#N)CC1	ZINC000819822440	598226928	/nfs/dbraw/zinc/22/69/28/598226928.db2.gz	NWQUXBJEPLNRSE-ZDUSSCGKSA-N	-1	0	278.312	0.095	20	30		CCEDRM
C[C@H]1CSCCN1C(=O)[C@@](C)(C#N)CC(=O)[O-]	ZINC000820251891	598228240	/nfs/dbraw/zinc/22/82/40/598228240.db2.gz	PTGMPBJMWUBXJB-GZMMTYOYSA-N	-1	0	256.327	0.955	20	30		CCEDRM
Cc1nc2n(n1)CCC[C@@H]2NC(=O)[C@@](C)(C#N)CC(=O)[O-]	ZINC000821181678	598229884	/nfs/dbraw/zinc/22/98/84/598229884.db2.gz	IFGKYZHYKVLJKW-TVQRCGJNSA-N	-1	0	291.311	0.542	20	30		CCEDRM
C#CCOCCOC(=O)C[C@@H]1CSCCN1C(=O)[O-]	ZINC000823462432	612990476	/nfs/dbraw/zinc/99/04/76/612990476.db2.gz	ALSNFPNELYQHKJ-SNVBAGLBSA-N	-1	0	287.337	0.665	20	30		CCEDRM
C#CCO[C@@H](C)C(=O)[N-]S(=O)(=O)c1ncccc1F	ZINC000835347358	612997007	/nfs/dbraw/zinc/99/70/07/612997007.db2.gz	WRYTTXCGBSZBBR-QMMMGPOBSA-N	-1	0	286.284	0.064	20	30		CCEDRM
C#CCO[C@@H](C)C(=O)NCc1ccc(CC(=O)[O-])cc1	ZINC000910194303	612996497	/nfs/dbraw/zinc/99/64/97/612996497.db2.gz	FGBRSNFHMRQPIH-NSHDSACASA-N	-1	0	275.304	0.968	20	30		CCEDRM
C#CCO[C@H](C)C(=O)N1C[C@H](C(=O)[O-])[C@@H](C(F)(F)F)C1	ZINC000910392206	613000789	/nfs/dbraw/zinc/00/07/89/613000789.db2.gz	GGAGHDFXYKKGRP-VGMNWLOBSA-N	-1	0	293.241	0.746	20	30		CCEDRM
C#CCO[C@H](C)C(=O)N[C@@H](Cc1ccccc1)C(=O)[O-]	ZINC000908583641	613002284	/nfs/dbraw/zinc/00/22/84/613002284.db2.gz	SQRXYKBIULTKEO-YPMHNXCESA-N	-1	0	275.304	0.837	20	30		CCEDRM
N#C[C@@]1(NC(=O)CCCNC(=O)[O-])CCSC1	ZINC000739066491	599753955	/nfs/dbraw/zinc/75/39/55/599753955.db2.gz	NFFWAULURJOGFA-JTQLQIEISA-N	-1	0	257.315	0.550	20	30		CCEDRM
N#CC1CCN(C(=O)NCCSCC(=O)[O-])CC1	ZINC000703764440	599901009	/nfs/dbraw/zinc/90/10/09/599901009.db2.gz	KKLVJCVDWUSMOH-UHFFFAOYSA-N	-1	0	271.342	0.749	20	30		CCEDRM
N#C[C@@H]1CN(C(=O)c2ccc(C(=O)[O-])cn2)CCO1	ZINC000093937601	599953132	/nfs/dbraw/zinc/95/31/32/599953132.db2.gz	PKBAQKPLNRYCAQ-SECBINFHSA-N	-1	0	261.237	0.144	20	30		CCEDRM
N#Cc1cccc(CN2CCNC(=O)[C@@H]2CC(=O)[O-])c1	ZINC000071245013	599982071	/nfs/dbraw/zinc/98/20/71/599982071.db2.gz	MHIFCHKMUJHLLB-LBPRGKRZSA-N	-1	0	273.292	0.333	20	30		CCEDRM
N#CCCNC(=O)CN1Cc2ccc(C(=O)[O-])cc2C1	ZINC000156910200	600088917	/nfs/dbraw/zinc/08/89/17/600088917.db2.gz	YDLMXCVQIRKRHG-UHFFFAOYSA-N	-1	0	273.292	0.730	20	30		CCEDRM
N#CCN(CC(=O)[O-])C(=O)Cc1[nH]nc2ccccc21	ZINC000739079593	600409205	/nfs/dbraw/zinc/40/92/05/600409205.db2.gz	ZUVPMBOKBJJPKQ-UHFFFAOYSA-N	-1	0	272.264	0.542	20	30		CCEDRM
COCCN(CC(=O)[O-])C(=O)Cc1ccc(C#N)cc1	ZINC000704664465	600420645	/nfs/dbraw/zinc/42/06/45/600420645.db2.gz	GIPCEFHHFPWRBO-UHFFFAOYSA-N	-1	0	276.292	0.660	20	30		CCEDRM
C#CCNC(=O)Nc1ccc(C(=O)OC)c(C(=O)[O-])c1	ZINC000825620157	612947298	/nfs/dbraw/zinc/94/72/98/612947298.db2.gz	XTNSSXOUUXPZKB-UHFFFAOYSA-N	-1	0	276.248	0.926	20	30		CCEDRM
C#CCCNS(=O)(=O)c1cccc(C(=O)[O-])c1C	ZINC000070246349	600652168	/nfs/dbraw/zinc/65/21/68/600652168.db2.gz	DVQAWHLTBHELPQ-UHFFFAOYSA-N	-1	0	267.306	0.995	20	30		CCEDRM
Cc1cc(C#N)ccc1S(=O)(=O)N1CC[C@@H](C(=O)[O-])C1	ZINC000179072186	600720593	/nfs/dbraw/zinc/72/05/93/600720593.db2.gz	DZDNPCMJWJGBKY-LLVKDONJSA-N	-1	0	294.332	0.962	20	30		CCEDRM
C#CCCCNS(=O)(=O)N1CCC(C(=O)[O-])CC1	ZINC000229817569	600785471	/nfs/dbraw/zinc/78/54/71/600785471.db2.gz	URFMVIGLHVCAID-UHFFFAOYSA-N	-1	0	274.342	0.031	20	30		CCEDRM
N#CCN1CCN(C(=O)[C@H]2CCC[C@@H](C(=O)[O-])C2)CC1	ZINC000833067528	600964435	/nfs/dbraw/zinc/96/44/35/600964435.db2.gz	WNNYEYIEZOSOON-NWDGAFQWSA-N	-1	0	279.340	0.545	20	30		CCEDRM
C[C@H]1CCCC[C@@H]1NC(=O)CN(CC#N)CC(=O)[O-]	ZINC000828252372	601004489	/nfs/dbraw/zinc/00/44/89/601004489.db2.gz	STKAFQMEDSCFCV-QWRGUYRKSA-N	-1	0	267.329	0.591	20	30		CCEDRM
N#CCN1CCN(C(=O)c2ccc(C(=O)[O-])nc2)CC1	ZINC000833067315	601074205	/nfs/dbraw/zinc/07/42/05/601074205.db2.gz	UIMQVGXKVSKMOB-UHFFFAOYSA-N	-1	0	274.280	0.061	20	30		CCEDRM
N#CCN(CC(=O)[O-])C(=O)c1ccc2n[nH]cc2c1	ZINC000833066050	601084060	/nfs/dbraw/zinc/08/40/60/601084060.db2.gz	NLVLADJIFUKZDM-UHFFFAOYSA-N	-1	0	258.237	0.613	20	30		CCEDRM
C[C@H](CC(=O)[O-])N1CCN(C(=O)CSCC#N)CC1	ZINC000827361686	601106391	/nfs/dbraw/zinc/10/63/91/601106391.db2.gz	DEVCBQSNQLMXBG-SNVBAGLBSA-N	-1	0	285.369	0.251	20	30		CCEDRM
N#C[C@H](C(=O)NC1CC1)C(=O)[C@H]1CCC[C@@H](C(=O)[O-])C1	ZINC000833062420	601236878	/nfs/dbraw/zinc/23/68/78/601236878.db2.gz	BIGFCRPMSPBTPB-NGZCFLSTSA-N	-1	0	278.308	0.865	20	30		CCEDRM
CC(C)CN(CCC#N)C(=O)Cn1cc(C(=O)[O-])nn1	ZINC000090716595	601278456	/nfs/dbraw/zinc/27/84/56/601278456.db2.gz	VLWKYJMIDBAFDD-UHFFFAOYSA-N	-1	0	279.300	0.375	20	30		CCEDRM
C[C@H](C#N)CNS(=O)(=O)c1c[nH]c(C(=O)[O-])c1	ZINC000054156492	601476666	/nfs/dbraw/zinc/47/66/66/601476666.db2.gz	HZYRZELWRHZXQJ-ZCFIWIBFSA-N	-1	0	257.271	0.151	20	30		CCEDRM
C[C@@H](Sc1ccccn1)C(=O)N(CC#N)CC(=O)[O-]	ZINC000827921045	601572246	/nfs/dbraw/zinc/57/22/46/601572246.db2.gz	BCNWTMPUQOZEOU-SECBINFHSA-N	-1	0	279.321	0.999	20	30		CCEDRM
N#Cc1ccccc1/C=C\C(=O)N1CCOC[C@@H]1C(=O)[O-]	ZINC000833075916	601609576	/nfs/dbraw/zinc/60/95/76/601609576.db2.gz	YWPMANZZWOYOHP-CFHLNLSMSA-N	-1	0	286.287	0.883	20	30		CCEDRM
N#Cc1ccc(C(=O)N2CCO[C@@H](CC(=O)[O-])C2)cn1	ZINC000833071292	601667184	/nfs/dbraw/zinc/66/71/84/601667184.db2.gz	ZNZAWYORKVFOQC-NSHDSACASA-N	-1	0	275.264	0.269	20	30		CCEDRM
C[C@H]1CN(C(=O)Nc2ccn(CCC#N)n2)C[C@@H]1C(=O)[O-]	ZINC000828388267	601794298	/nfs/dbraw/zinc/79/42/98/601794298.db2.gz	XMCWNJAPAMIOFP-UWVGGRQHSA-N	-1	0	291.311	0.981	20	30		CCEDRM
C#CCNC(=O)[C@@H](C)OC(=O)[C@@]1(C)CCN(C(=O)[O-])C1	ZINC000823455272	612949047	/nfs/dbraw/zinc/94/90/47/612949047.db2.gz	BLHMUBMTWFDLSP-RNCFNFMXSA-N	-1	0	282.296	0.058	20	30		CCEDRM
C[C@H](CN(C)C(=O)C#Cc1ccc2c(c1)OCO2)C(=O)[O-]	ZINC000827431991	602285311	/nfs/dbraw/zinc/28/53/11/602285311.db2.gz	CSDRXKPEBGJPLJ-SNVBAGLBSA-N	-1	0	289.287	0.946	20	30		CCEDRM
C[C@@H](CC(=O)[O-])C(=O)NC[C@H]1CCCN(CC#N)C1	ZINC000827290723	602300047	/nfs/dbraw/zinc/30/00/47/602300047.db2.gz	HENOLTCJIIJHIE-WDEREUQCSA-N	-1	0	267.329	0.449	20	30		CCEDRM
N#CCn1cc(NC(=O)C[C@@H]2CCCN2C(=O)[O-])cn1	ZINC000831109600	602774451	/nfs/dbraw/zinc/77/44/51/602774451.db2.gz	OIYKUAQFTTYIEK-JTQLQIEISA-N	-1	0	277.284	0.878	20	30		CCEDRM
C[C@H]1CN(S(=O)(=O)CCCCC#N)CCN1C(=O)[O-]	ZINC000826069736	603121941	/nfs/dbraw/zinc/12/19/41/603121941.db2.gz	WUVYMGCRGYNHCN-JTQLQIEISA-N	-1	0	289.357	0.694	20	30		CCEDRM
N#CCCN1C(=O)N[C@@]2(CCCC[C@H]2CNC(=O)[O-])C1=O	ZINC000831097879	603405917	/nfs/dbraw/zinc/40/59/17/603405917.db2.gz	XEFYMRBBXHRHCQ-TVQRCGJNSA-N	-1	0	294.311	0.648	20	30		CCEDRM
N#C[C@@H]1CN(C(=O)[C@@H]2CC[C@H](NC(=O)[O-])C2)CCO1	ZINC000831076572	603578926	/nfs/dbraw/zinc/57/89/26/603578926.db2.gz	PDTSICYHURYMMM-KXUCPTDWSA-N	-1	0	267.285	0.174	20	30		CCEDRM
N#C[C@@H]1CN(C(=O)[O-])CCN1C(=O)c1cc(C2CC2)n[nH]1	ZINC000831088161	603589886	/nfs/dbraw/zinc/58/98/86/603589886.db2.gz	ZBMZWQVZYRPZDW-SECBINFHSA-N	-1	0	289.295	0.615	20	30		CCEDRM
N#C[C@H]1CN(C(=O)[O-])CCN1C(=O)/C=C\c1cccnc1	ZINC000831076421	603598406	/nfs/dbraw/zinc/59/84/06/603598406.db2.gz	METMRSOWCHJJEI-MVZIDQBPSA-N	-1	0	286.291	0.809	20	30		CCEDRM
N#C[C@H]1CN(C(=O)[O-])CCN1C(=O)c1n[nH]c2c1CCC2	ZINC000831091479	603599008	/nfs/dbraw/zinc/59/90/08/603599008.db2.gz	FVLCSVONBACJGH-QMMMGPOBSA-N	-1	0	289.295	0.226	20	30		CCEDRM
C[C@@H](C#N)CN(C)CN1C[C@H]2CN(C(=O)[O-])CCN2C1=O	ZINC000823646780	603599120	/nfs/dbraw/zinc/59/91/20/603599120.db2.gz	GRMBXVPRSFLDNU-WDEREUQCSA-N	-1	0	295.343	0.135	20	30		CCEDRM
N#Cc1cccc(C(=O)N2CCN(C(=O)[O-])C[C@@H]2C#N)c1	ZINC000831146549	603600722	/nfs/dbraw/zinc/60/07/22/603600722.db2.gz	UHPBEEIJQMOYEL-LBPRGKRZSA-N	-1	0	284.275	0.886	20	30		CCEDRM
Cc1ccc(CC(=O)N2CCN(C(=O)[O-])C[C@@H]2C#N)cn1	ZINC000830288677	603601779	/nfs/dbraw/zinc/60/17/79/603601779.db2.gz	MCLBQQATDZQLIP-LBPRGKRZSA-N	-1	0	288.307	0.647	20	30		CCEDRM
C[C@H](CC#N)NC(=O)[C@@H]1[C@@H](C)OC(C)(C)N1C(=O)[O-]	ZINC000824545032	603707798	/nfs/dbraw/zinc/70/77/98/603707798.db2.gz	UKXZEFYZJVVUDC-HLTSFMKQSA-N	-1	0	269.301	0.908	20	30		CCEDRM
N#CC1(NC(=O)CC2CN(C(=O)[O-])C2)CCCC1	ZINC000831070951	603758923	/nfs/dbraw/zinc/75/89/23/603758923.db2.gz	VPQWRKUMSGOHFJ-UHFFFAOYSA-N	-1	0	251.286	0.939	20	30		CCEDRM
C[C@H](C#N)C(=O)NC[C@H]1[C@H](C)OC(C)(C)N1C(=O)[O-]	ZINC000823647757	603811224	/nfs/dbraw/zinc/81/12/24/603811224.db2.gz	NICIBZSRJJFVAT-VGMNWLOBSA-N	-1	0	269.301	0.766	20	30		CCEDRM
C#CCNC(=O)c1ccc(N2CCC[C@H]2CC(=O)[O-])nc1	ZINC000825620144	612952147	/nfs/dbraw/zinc/95/21/47/612952147.db2.gz	XGBUUKMJUVQCIX-LBPRGKRZSA-N	-1	0	287.319	0.888	20	30		CCEDRM
C#CCNC(=O)CNc1cccc2c1CCN2C(=O)[O-]	ZINC000823456560	604011100	/nfs/dbraw/zinc/01/11/00/604011100.db2.gz	NRKGFPPTOJETAK-UHFFFAOYSA-N	-1	0	273.292	0.888	20	30		CCEDRM
N#C[C@@H]1CCC[C@H]1NC(=O)CC1CN(C(=O)[O-])C1	ZINC000831077322	604030056	/nfs/dbraw/zinc/03/00/56/604030056.db2.gz	ZDVLVGXBZAHTOA-VHSXEESVSA-N	-1	0	251.286	0.795	20	30		CCEDRM
N#C[C@@H](NC(=O)COC1CN(C(=O)[O-])C1)C1CCCCC1	ZINC000831070507	604060331	/nfs/dbraw/zinc/06/03/31/604060331.db2.gz	MFXLIKIOSUTSFP-GFCCVEGCSA-N	-1	0	295.339	0.954	20	30		CCEDRM
N#C[C@@H]1CN(C(=O)[O-])CCN1C(=O)C(F)(F)F	ZINC000831075498	604068935	/nfs/dbraw/zinc/06/89/35/604068935.db2.gz	AFXKXBHIIGEUKI-RXMQYKEDSA-N	-1	0	251.164	0.263	20	30		CCEDRM
N#C[C@H]1CN(C(=O)[O-])CCN1C(=O)C(F)(F)F	ZINC000831075500	604068940	/nfs/dbraw/zinc/06/89/40/604068940.db2.gz	AFXKXBHIIGEUKI-YFKPBYRVSA-N	-1	0	251.164	0.263	20	30		CCEDRM
Cc1cncc(C(=O)N2CCN(C(=O)[O-])C[C@H]2C#N)c1	ZINC000830634199	604069036	/nfs/dbraw/zinc/06/90/36/604069036.db2.gz	NDRQWELWQUOTPZ-LLVKDONJSA-N	-1	0	274.280	0.718	20	30		CCEDRM
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N#C[C@@H]1CN(C(=O)[O-])CCN1C(=O)C[C@H]1CCOC1	ZINC000831083325	604078565	/nfs/dbraw/zinc/07/85/65/604078565.db2.gz	ZHKOEBZXJIHYIR-NXEZZACHSA-N	-1	0	267.285	0.127	20	30		CCEDRM
N#C[C@H]1CN(C(=O)[O-])CCN1C(=O)CCC1CC1	ZINC000831082261	604080240	/nfs/dbraw/zinc/08/02/40/604080240.db2.gz	JQFRDKNVMDWZPD-JTQLQIEISA-N	-1	0	251.286	0.891	20	30		CCEDRM
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C[C@@H](OC(=O)CC1CN(C(=O)[O-])C1)C(=O)N(C)CCC#N	ZINC000825578940	604096953	/nfs/dbraw/zinc/09/69/53/604096953.db2.gz	HVCRUJWHBSFNBH-SECBINFHSA-N	-1	0	297.311	0.290	20	30		CCEDRM
N#C[C@@H]1COCCN1C(=O)c1ccc(C(=O)[O-])c(F)c1	ZINC000833061342	604292144	/nfs/dbraw/zinc/29/21/44/604292144.db2.gz	AGQBVEZOYFCRRM-SECBINFHSA-N	-1	0	278.239	0.888	20	30		CCEDRM
C#CC[C@@H](NC(=O)C1(OC(C)C)CCC1)C(=O)[O-]	ZINC000910048591	613039430	/nfs/dbraw/zinc/03/94/30/613039430.db2.gz	NEKUIMUCBMXVJS-SNVBAGLBSA-N	-1	0	253.298	0.927	20	30		CCEDRM
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C#CC[C@@H]([N-]S(=O)(=O)C[C@]1(C)CC1(F)F)C(=O)OC	ZINC000882251128	613042945	/nfs/dbraw/zinc/04/29/45/613042945.db2.gz	GGHKYHNMQCCZJN-SCZZXKLOSA-N	-1	0	295.307	0.516	20	30		CCEDRM
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C[C@H](C#N)CN(C)C(=O)CO[C@@H]1CCCN(C(=O)[O-])C1	ZINC000823647780	605262116	/nfs/dbraw/zinc/26/21/16/605262116.db2.gz	NTNNLQPWCVBYNC-GHMZBOCLSA-N	-1	0	283.328	0.763	20	30		CCEDRM
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N#CCC1CCN(C(=O)COC2CN(C(=O)[O-])C2)CC1	ZINC000833969471	605933207	/nfs/dbraw/zinc/93/32/07/605933207.db2.gz	UQPDUZCGNLYEIQ-UHFFFAOYSA-N	-1	0	281.312	0.517	20	30		CCEDRM
N#CCN1CCC[C@@H](CNC(=O)CCCCNC(=O)[O-])C1	ZINC000833967578	605937206	/nfs/dbraw/zinc/93/72/06/605937206.db2.gz	SBJRSHCRDOORHO-LBPRGKRZSA-N	-1	0	296.371	0.776	20	30		CCEDRM
N#Cc1cc(C(=O)N[C@H](CNC(=O)[O-])C2CC2)c[nH]1	ZINC000833970961	606089391	/nfs/dbraw/zinc/08/93/91/606089391.db2.gz	ZENLMHTVWUVGRH-SNVBAGLBSA-N	-1	0	262.269	0.662	20	30		CCEDRM
C#CCCS(=O)(=O)[N-]C(=O)COC1CCCC1	ZINC000810779947	613052847	/nfs/dbraw/zinc/05/28/47/613052847.db2.gz	HZSQTAWWIKBCJZ-UHFFFAOYSA-N	-1	0	259.327	0.415	20	30		CCEDRM
C#CCCS(=O)(=O)[N-]C(=O)c1c(C)onc1CC	ZINC000810785233	613053465	/nfs/dbraw/zinc/05/34/65/613053465.db2.gz	CFUYNVJUECZAML-UHFFFAOYSA-N	-1	0	270.310	0.628	20	30		CCEDRM
C#CCCS(=O)(=O)[N-]C(=O)[C@@H](OCC)C1CC1	ZINC000860722598	613053145	/nfs/dbraw/zinc/05/31/45/613053145.db2.gz	ZRCFHIKKEJXZGH-JTQLQIEISA-N	-1	0	259.327	0.271	20	30		CCEDRM
C#CC[C@H](CO)NC(=O)c1cc(C)c(C(=O)[O-])o1	ZINC000911394853	613057488	/nfs/dbraw/zinc/05/74/88/613057488.db2.gz	FVVZMSOBJPGGEI-MRVPVSSYSA-N	-1	0	251.238	0.400	20	30		CCEDRM
C#CCC[C@H](O)C[N-]S(=O)(=O)c1ncccc1[N+](=O)[O-]	ZINC000849390902	613064605	/nfs/dbraw/zinc/06/46/05/613064605.db2.gz	CRTPEXKBPQDDSZ-VIFPVBQESA-N	-1	0	299.308	0.042	20	30		CCEDRM
C#CC[C@H](NC(=O)c1cc(C(C)(C)C)n[nH]1)C(=O)[O-]	ZINC000910052972	613069943	/nfs/dbraw/zinc/06/99/43/613069943.db2.gz	LOHKEGCKGORZIT-QMMMGPOBSA-N	-1	0	263.297	0.914	20	30		CCEDRM
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C#CCN(CC(=O)[O-])S(=O)(=O)C[C@H](OCC)C1CC1	ZINC000863409923	613103485	/nfs/dbraw/zinc/10/34/85/613103485.db2.gz	PBIXGGNXBHCJTM-NSHDSACASA-N	-1	0	289.353	0.151	20	30		CCEDRM
C=CC1(S(=O)(=O)[N-]C(=O)CCOCCOC)CC1	ZINC000870833751	613450365	/nfs/dbraw/zinc/45/03/65/613450365.db2.gz	WWVLEBRZGYDOSU-UHFFFAOYSA-N	-1	0	277.342	0.204	20	30		CCEDRM
C#CCC1(O)CCN(C(=O)c2ncccc2O)CC1	ZINC000882523162	612973063	/nfs/dbraw/zinc/97/30/63/612973063.db2.gz	JMBKUOIPIHXXFC-UHFFFAOYSA-N	-1	0	260.293	0.778	20	30		CCEDRM
C#CCCCCCC(=O)N1CCOC[C@H]1C(=O)[O-]	ZINC000833361630	612976143	/nfs/dbraw/zinc/97/61/43/612976143.db2.gz	DWYOBAVQMYDVNC-NSHDSACASA-N	-1	0	253.298	0.882	20	30		CCEDRM
CC(C)C[C@H](NC(=O)CNc1ccc(C#N)nn1)C(=O)[O-]	ZINC000833492755	614219207	/nfs/dbraw/zinc/21/92/07/614219207.db2.gz	QWJMZWMXSLQDLH-JTQLQIEISA-N	-1	0	291.311	0.376	20	30		CCEDRM
CCC[C@H](OC)C(=O)[N-]S(=O)(=O)c1cncc(C#N)c1	ZINC000835464443	614433103	/nfs/dbraw/zinc/43/31/03/614433103.db2.gz	QYTDUZPVHJPBIG-NSHDSACASA-N	-1	0	297.336	0.573	20	30		CCEDRM
CC1CCC(NC(=O)CN(CC#N)CC(=O)[O-])CC1	ZINC000828225768	614422820	/nfs/dbraw/zinc/42/28/20/614422820.db2.gz	JGXPGRYBYVPZFG-UHFFFAOYSA-N	-1	0	267.329	0.591	20	30		CCEDRM
COc1ccc(C(=O)[O-])cc1C=NNC1=NC[C@H](C)N1	ZINC000901216117	617235391	/nfs/dbraw/zinc/23/53/91/617235391.db2.gz	OSYWRRWNVBTMSD-QMMMGPOBSA-N	-1	0	276.296	0.665	20	30		CCEDRM
C[C@@H](C(=O)N1CCN(C(=O)[O-])C[C@@H]1C#N)n1cccn1	ZINC000823669629	617304459	/nfs/dbraw/zinc/30/44/59/617304459.db2.gz	ONGDHFGZLJLJOC-UWVGGRQHSA-N	-1	0	277.284	0.158	20	30		CCEDRM
C#CCC(CC#C)C(=O)N1CCC(c2n[nH]c(=O)[n-]2)CC1	ZINC000816471564	612966279	/nfs/dbraw/zinc/96/62/79/612966279.db2.gz	IVLSAVYOAUAWRR-UHFFFAOYSA-N	-1	0	286.335	0.879	20	30		CCEDRM
C#CCCCCNC(=O)C(=O)N1C[C@H](C)C[C@@H](C(=O)[O-])C1	ZINC000817891694	612977066	/nfs/dbraw/zinc/97/70/66/612977066.db2.gz	NJZRPKTUQYHIQZ-VXGBXAGGSA-N	-1	0	294.351	0.475	20	30		CCEDRM
C#CCCCCNC(=O)C(=O)N1CC[C@H](C(=O)[O-])[C@H](C)C1	ZINC000861715163	612977201	/nfs/dbraw/zinc/97/72/01/612977201.db2.gz	JSCJHBOLAQOQSL-NEPJUHHUSA-N	-1	0	294.351	0.475	20	30		CCEDRM
C#CCCCCNC(=O)N1CC[N@@H+](CCC(=O)[O-])C[C@@H]1C	ZINC000833361650	612977478	/nfs/dbraw/zinc/97/74/78/612977478.db2.gz	FXELJUSZBGYGOF-ZDUSSCGKSA-N	-1	0	295.383	0.980	20	30		CCEDRM
C#CCCCCNC(=O)[C@H]1CSCN1C(=O)[O-]	ZINC000823441154	612978246	/nfs/dbraw/zinc/97/82/46/612978246.db2.gz	WBDXZDCMZXNIRM-SECBINFHSA-N	-1	0	256.327	0.959	20	30		CCEDRM
C#CCCCCNC(=O)c1ccc(-c2nn[nH]n2)cn1	ZINC000819693917	612978309	/nfs/dbraw/zinc/97/83/09/612978309.db2.gz	ZFLYNWDKHDWUGS-UHFFFAOYSA-N	-1	0	270.296	0.795	20	30		CCEDRM
C#CCOCCC(=O)NCCOc1ccc(C(=O)[O-])cc1	ZINC000833364814	612979555	/nfs/dbraw/zinc/97/95/55/612979555.db2.gz	XIPDGWSFRUSTBK-UHFFFAOYSA-N	-1	0	291.303	0.920	20	30		CCEDRM
C#CCOCCC(=O)[N-]S(=O)(=O)C1(CC=C)CC1	ZINC000810983882	612980056	/nfs/dbraw/zinc/98/00/56/612980056.db2.gz	KFJAGYJPSDXDPV-UHFFFAOYSA-N	-1	0	271.338	0.581	20	30		CCEDRM
C#CCCCNC(=O)N[C@@H](C[C@H]1CCCO1)C(=O)[O-]	ZINC000909026752	612981996	/nfs/dbraw/zinc/98/19/96/612981996.db2.gz	AQDQTZOBBOGRBJ-MNOVXSKESA-N	-1	0	268.313	0.721	20	30		CCEDRM
C#CCCCNC(=O)Nc1ccn(CC(=O)[O-])n1	ZINC000825605681	612982208	/nfs/dbraw/zinc/98/22/08/612982208.db2.gz	MPUKIOHCCPOUPZ-UHFFFAOYSA-N	-1	0	250.258	0.503	20	30		CCEDRM
C#CCCCNC(=O)N[C@](C)(Cn1cccn1)C(=O)[O-]	ZINC000900292152	612982320	/nfs/dbraw/zinc/98/23/20/612982320.db2.gz	QFHSSLHOLNLVLH-CYBMUJFWSA-N	-1	0	278.312	0.439	20	30		CCEDRM
C#CCO[N-]C(=O)CN1C(=O)COc2ccccc21	ZINC000812781473	612992142	/nfs/dbraw/zinc/99/21/42/612992142.db2.gz	VUXIOLSSRMVSTK-UHFFFAOYSA-N	-1	0	260.249	0.093	20	30		CCEDRM
C#CCO[N-]C(=O)[C@@H](C[C@@H]1COCCO1)C(F)(F)F	ZINC000855605893	612992456	/nfs/dbraw/zinc/99/24/56/612992456.db2.gz	BFRNGFZYKUZZJO-RKDXNWHRSA-N	-1	0	281.230	0.651	20	30		CCEDRM
C#CCO[N-]C(=O)[C@@H]1CC(C(=O)OC(C)(C)C)=NO1	ZINC000855606392	612992783	/nfs/dbraw/zinc/99/27/83/612992783.db2.gz	GVSHTWSYZRZFQO-VIFPVBQESA-N	-1	0	268.269	0.154	20	30		CCEDRM
C#CCO[N-]C(=O)[C@H]1CSCN1C(=O)C(C)(C)C	ZINC000855603029	612992979	/nfs/dbraw/zinc/99/29/79/612992979.db2.gz	JPHVCTKHSNURAP-SECBINFHSA-N	-1	0	270.354	0.615	20	30		CCEDRM
C#CCO[N-]C(=O)[C@H](C)NC(=O)C1CCCCC1	ZINC000855602997	612993057	/nfs/dbraw/zinc/99/30/57/612993057.db2.gz	IPGSORPRIZNWCP-JTQLQIEISA-N	-1	0	252.314	0.752	20	30		CCEDRM
C#CCO[N-]C(=O)c1ccc(=O)n(-c2ccccc2F)n1	ZINC000812784757	612993293	/nfs/dbraw/zinc/99/32/93/612993293.db2.gz	GVHAAPUNGSZUSA-UHFFFAOYSA-N	-1	0	287.250	0.666	20	30		CCEDRM
C#CCO[C@@H](C)C(=O)N1CCC(c2n[nH]c(=O)[n-]2)CC1	ZINC000843873989	612994339	/nfs/dbraw/zinc/99/43/39/612994339.db2.gz	XTKZVFRCYPKQLV-VIFPVBQESA-N	-1	0	278.312	0.255	20	30		CCEDRM
C#CCO[C@@H](C)C(=O)[N-]S(=O)(=O)C1(C=C)CC1	ZINC000870838018	612996791	/nfs/dbraw/zinc/99/67/91/612996791.db2.gz	IIHVZOFVXFVBQD-VIFPVBQESA-N	-1	0	257.311	0.189	20	30		CCEDRM
C#CCO[C@H](C)C(=O)NC[C@H](CC1CC1)C(=O)[O-]	ZINC000909882739	613001891	/nfs/dbraw/zinc/00/18/91/613001891.db2.gz	YRXHXMCRPURGFW-KOLCDFICSA-N	-1	0	253.298	0.642	20	30		CCEDRM
C#CCCN1CCN(C(=O)[C@H](C)CC(=O)[O-])CC1	ZINC000825608930	613010049	/nfs/dbraw/zinc/01/00/49/613010049.db2.gz	OBQZRHPNTVSQKA-LLVKDONJSA-N	-1	0	252.314	0.265	20	30		CCEDRM
C#CCSCCNC(=O)[C@H]1C[C@@H](C)[C@H](C(=O)[O-])O1	ZINC000911423019	613017917	/nfs/dbraw/zinc/01/79/17/613017917.db2.gz	IWITZBGSPBCSSS-OPRDCNLKSA-N	-1	0	271.338	0.347	20	30		CCEDRM
C#CC[C@@H](COC)NC(=O)C(=O)[N-]OC1CCCCC1	ZINC000875602653	613031874	/nfs/dbraw/zinc/03/18/74/613031874.db2.gz	IZUAQMCBAZYTFR-NSHDSACASA-N	-1	0	282.340	0.521	20	30		CCEDRM
C#CC[C@@H](NC(=O)C1(C(F)(F)F)CCOCC1)C(=O)[O-]	ZINC000910045391	613039598	/nfs/dbraw/zinc/03/95/98/613039598.db2.gz	CJPFKKVSZJRXPD-MRVPVSSYSA-N	-1	0	293.241	0.938	20	30		CCEDRM
C#CC[C@@H]1CCCN(C(=O)Cn2[n-]cc3c(=O)ncnc2-3)C1	ZINC000843674681	613044159	/nfs/dbraw/zinc/04/41/59/613044159.db2.gz	JTJAIUWEGGAUMS-LLVKDONJSA-N	-1	0	299.334	0.333	20	30		CCEDRM
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C#CCCNC(=O)N1CCC[C@H]1CN(C)C(=O)[O-]	ZINC000823444699	613047121	/nfs/dbraw/zinc/04/71/21/613047121.db2.gz	OWUDYGWKWNRUPR-JTQLQIEISA-N	-1	0	253.302	0.794	20	30		CCEDRM
C#CCCS(=O)(=O)[N-]C(=O)C(C)(C)C(=O)OCC	ZINC000810782410	613052563	/nfs/dbraw/zinc/05/25/63/613052563.db2.gz	PEPOMNWISLMBNQ-UHFFFAOYSA-N	-1	0	275.326	0.045	20	30		CCEDRM
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C#CCCS(=O)(=O)[N-]C(=O)c1cccc(C#N)c1	ZINC000788071328	613053529	/nfs/dbraw/zinc/05/35/29/613053529.db2.gz	OZBSDMZOJNGURD-UHFFFAOYSA-N	-1	0	262.290	0.641	20	30		CCEDRM
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C#CCCS(=O)(=O)[N-]C(=O)c1ccccc1OC	ZINC000791111766	613053732	/nfs/dbraw/zinc/05/37/32/613053732.db2.gz	YNJNZWHBHDPUEB-UHFFFAOYSA-N	-1	0	267.306	0.778	20	30		CCEDRM
C#CCCS(=O)(=O)[N-]C(=O)c1ncccc1SC	ZINC000845545821	613053956	/nfs/dbraw/zinc/05/39/56/613053956.db2.gz	RZKGVPPUBNUSCK-UHFFFAOYSA-N	-1	0	284.362	0.886	20	30		CCEDRM
C#CC[C@H](NC(=O)C1(CC)CCOCC1)C(=O)[O-]	ZINC000910050876	613067384	/nfs/dbraw/zinc/06/73/84/613067384.db2.gz	PGUFJMDMESNBJK-JTQLQIEISA-N	-1	0	253.298	0.786	20	30		CCEDRM
C#CC[C@H](NC(=O)[C@@H]1CCn2ccnc2C1)C(=O)[O-]	ZINC000910047986	613068914	/nfs/dbraw/zinc/06/89/14/613068914.db2.gz	BGPIBXCALBKMBA-ZJUUUORDSA-N	-1	0	261.281	0.038	20	30		CCEDRM
C#CC[C@H](NC(=O)[C@H](c1ccccc1)N(C)C)C(=O)[O-]	ZINC000910051800	613069398	/nfs/dbraw/zinc/06/93/98/613069398.db2.gz	HSDAJBAGRTXUEN-STQMWFEESA-N	-1	0	274.320	0.882	20	30		CCEDRM
C#CC[C@H](NC(=O)c1cc(C2CC2)n(C)n1)C(=O)[O-]	ZINC000910049677	613069964	/nfs/dbraw/zinc/06/99/64/613069964.db2.gz	ZHFMIKUBZHQTKT-VIFPVBQESA-N	-1	0	261.281	0.504	20	30		CCEDRM
C#CC[C@H](NC(=O)c1ccc(N2CCCC2)nn1)C(=O)[O-]	ZINC000910050935	613070094	/nfs/dbraw/zinc/07/00/94/613070094.db2.gz	AUNORFHNWLKZKD-NSHDSACASA-N	-1	0	288.307	0.283	20	30		CCEDRM
C#CC[C@H](NC(=O)c1cccc2c1OCC2)C(=O)[O-]	ZINC000907718367	613070448	/nfs/dbraw/zinc/07/04/48/613070448.db2.gz	FWYUKIHGZZEZEP-NSHDSACASA-N	-1	0	259.261	0.828	20	30		CCEDRM
C#CC[C@H](NC(=O)c1cnc([C@H](C)O)s1)C(=O)[O-]	ZINC000910048761	613070643	/nfs/dbraw/zinc/07/06/43/613070643.db2.gz	OFGUHNCWRQQPOH-BQBZGAKWSA-N	-1	0	268.294	0.403	20	30		CCEDRM
C#CC[C@H](NC(=O)c1noc2c1CCCC2)C(=O)[O-]	ZINC000910052978	613070887	/nfs/dbraw/zinc/07/08/87/613070887.db2.gz	LPVDZKTYOOSFRS-VIFPVBQESA-N	-1	0	262.265	0.760	20	30		CCEDRM
C#CC[C@H]1CCN(C(=O)CCCn2c(=O)[n-][nH]c2=O)C1	ZINC000912985422	613073025	/nfs/dbraw/zinc/07/30/25/613073025.db2.gz	DVKRMUVYKCOFKL-JTQLQIEISA-N	-1	0	278.312	0.341	20	30		CCEDRM
C#C[C@@H](CC)NS(=O)(=O)N=S(=O)(CC)CC	ZINC000867198092	613084646	/nfs/dbraw/zinc/08/46/46/613084646.db2.gz	DYUPZCSFJHXNEH-VIFPVBQESA-N	-1	0	266.388	0.740	20	30		CCEDRM
C#CCN(CC#C)CC(=O)NCc1ccc(NC(=O)[O-])cc1	ZINC000825608495	613099019	/nfs/dbraw/zinc/09/90/19/613099019.db2.gz	AMXYAYLJQLLBRE-UHFFFAOYSA-N	-1	0	299.330	0.961	20	30		CCEDRM
C#CCN(CC(=O)[O-])S(=O)(=O)CC12CCC(CC1)C2	ZINC000849219093	613103616	/nfs/dbraw/zinc/10/36/16/613103616.db2.gz	GTDKIABEWGKHIJ-UHFFFAOYSA-N	-1	0	285.365	0.916	20	30		CCEDRM
C#CCN(CC(=O)[O-])S(=O)(=O)c1cccc2c1OCC2	ZINC000849218775	613103799	/nfs/dbraw/zinc/10/37/99/613103799.db2.gz	IMGIGJOPJZKUSZ-UHFFFAOYSA-N	-1	0	295.316	0.330	20	30		CCEDRM
COc1ccccc1NCC(=O)N[C@H]1CCN(O)C1=O	ZINC000820156256	617316445	/nfs/dbraw/zinc/31/64/45/617316445.db2.gz	FSJNSMKDGAYBJS-JTQLQIEISA-N	-1	0	279.296	0.213	20	30		CCEDRM
C#C[C@H](CO)NC(=O)[C@@]1(C(=O)[O-])C[C@@H]1c1ccccc1	ZINC000907840406	613127721	/nfs/dbraw/zinc/12/77/21/613127721.db2.gz	BVUIVMAETICNRS-LALPHHSUSA-N	-1	0	273.288	0.355	20	30		CCEDRM
C#C[C@H](NC(=O)C(=O)Nc1cccnc1C(=O)[O-])C(C)C	ZINC000850788105	613132309	/nfs/dbraw/zinc/13/23/09/613132309.db2.gz	LYBONBRIIGVVCC-VIFPVBQESA-N	-1	0	289.291	0.492	20	30		CCEDRM
C#C[C@H](NC(=O)NCC1(C(=O)[O-])CCC1)[C@H]1CCCO1	ZINC000851652720	613139154	/nfs/dbraw/zinc/13/91/54/613139154.db2.gz	XQMGZMPXLPFQLM-WDEREUQCSA-N	-1	0	280.324	0.721	20	30		CCEDRM
C#C[C@H](NC(=O)N[C@H]1CC[C@@H](C(=O)[O-])C1)[C@H]1CCCO1	ZINC000831038904	613144515	/nfs/dbraw/zinc/14/45/15/613144515.db2.gz	MTFGAAINRITOLR-NOOOWODRSA-N	-1	0	280.324	0.720	20	30		CCEDRM
C#C[C@H](NC(=O)[C@H]1CC[C@H]1C(=O)[O-])C1CCOCC1	ZINC000911791482	613147450	/nfs/dbraw/zinc/14/74/50/613147450.db2.gz	NTTCUBWPQAVDIV-TUAOUCFPSA-N	-1	0	265.309	0.642	20	30		CCEDRM
C#C[C@H](NC(=O)c1ccc(C(=O)[O-])cn1)[C@H]1CCCO1	ZINC000911580618	613148841	/nfs/dbraw/zinc/14/88/41/613148841.db2.gz	SPFXFXBXBWNWOK-CMPLNLGQSA-N	-1	0	274.276	0.690	20	30		CCEDRM
C#C[C@H]1COCCN1S(=O)(=O)c1cccc(C(=O)[O-])c1	ZINC000907015374	613163368	/nfs/dbraw/zinc/16/33/68/613163368.db2.gz	QKBNDCWWOWBIMZ-NSHDSACASA-N	-1	0	295.316	0.408	20	30		CCEDRM
C#CCN1CCC[C@@H](NS(=O)(=O)c2ccccc2[O-])C1	ZINC000885508320	613176209	/nfs/dbraw/zinc/17/62/09/613176209.db2.gz	FLCREILSIGISPC-GFCCVEGCSA-N	-1	0	294.376	0.768	20	30		CCEDRM
C#Cc1cccc(NC(=O)C(=O)N2CC[C@@H](C(=O)[O-])C2)c1	ZINC000817675235	613201620	/nfs/dbraw/zinc/20/16/20/613201620.db2.gz	FRLHQPYUNZTTTM-LLVKDONJSA-N	-1	0	286.287	0.540	20	30		CCEDRM
C#Cc1cccc(NC(=O)C(=O)NCCCCC(=O)[O-])c1	ZINC000819706111	613202783	/nfs/dbraw/zinc/20/27/83/613202783.db2.gz	PHLVYEHLLLWEMR-UHFFFAOYSA-N	-1	0	288.303	0.978	20	30		CCEDRM
C#CCN1CCN(C(=O)c2ccc3oc(=O)nc-3[n-]2)CC1	ZINC000827519842	613208619	/nfs/dbraw/zinc/20/86/19/613208619.db2.gz	VPYXEZPXAMTKFN-UHFFFAOYSA-N	-1	0	286.291	0.319	20	30		CCEDRM
C=C(C)CN(CC)C(=O)CS(=O)(=O)CCCC(=O)[O-]	ZINC000825641926	613293584	/nfs/dbraw/zinc/29/35/84/613293584.db2.gz	AXEKFMKDFIHMND-UHFFFAOYSA-N	-1	0	291.369	0.691	20	30		CCEDRM
C#CCNC(=O)COC(=O)c1ccc(C)c(NC(=O)[O-])c1	ZINC000823456169	613332782	/nfs/dbraw/zinc/33/27/82/613332782.db2.gz	LDSWWJLWUXKXIS-UHFFFAOYSA-N	-1	0	290.275	0.991	20	30		CCEDRM
C=C(C)CO[N-]C(=O)C(=NOC)c1csc(N)n1	ZINC000824226735	613352358	/nfs/dbraw/zinc/35/23/58/613352358.db2.gz	ZRGFPQVPCVZHSF-UHFFFAOYSA-N	-1	0	270.314	0.700	20	30		CCEDRM
C=C(C)CO[N-]C(=O)Cn1nc2ccccn2c1=O	ZINC000846538998	613352652	/nfs/dbraw/zinc/35/26/52/613352652.db2.gz	NZMMLRJFJBUQPE-UHFFFAOYSA-N	-1	0	262.269	0.120	20	30		CCEDRM
C=C(C)CO[N-]C(=O)Cn1c(C)cc(C)nc1=O	ZINC000846535939	613352655	/nfs/dbraw/zinc/35/26/55/613352655.db2.gz	NPIBIDQJRHKDRQ-UHFFFAOYSA-N	-1	0	251.286	0.484	20	30		CCEDRM
C=C(C)CO[N-]C(=O)[C@H]1COCCN1CC(F)(F)F	ZINC000846534269	613353782	/nfs/dbraw/zinc/35/37/82/613353782.db2.gz	XWPKVBWLOOLKRL-SECBINFHSA-N	-1	0	282.262	0.873	20	30		CCEDRM
C=C(C)CO[N-]C(=O)[C@H](C(C)C)N1CCCS1(=O)=O	ZINC000846536770	613353835	/nfs/dbraw/zinc/35/38/35/613353835.db2.gz	ZGAKBUCPNKRYNR-NSHDSACASA-N	-1	0	290.385	0.670	20	30		CCEDRM
C=C(C)CS(=O)(=O)N1CC[C@H]2[C@@H](C1)[C@H]2C(=O)[O-]	ZINC000903049726	613354086	/nfs/dbraw/zinc/35/40/86/613354086.db2.gz	DXPLYJJTMLUDHT-AEJSXWLSSA-N	-1	0	259.327	0.545	20	30		CCEDRM
C=C(C)CS(=O)(=O)N[C@H]1CCOC[C@@H]1CC(=O)[O-]	ZINC000899949677	613354387	/nfs/dbraw/zinc/35/43/87/613354387.db2.gz	KBQJWRKTWAJCNH-UWVGGRQHSA-N	-1	0	277.342	0.362	20	30		CCEDRM
C=C(C)C[C@@H](NC(=O)C1CCN(OC)CC1)C(=O)[O-]	ZINC000910293190	613355730	/nfs/dbraw/zinc/35/57/30/613355730.db2.gz	VLYTUCXKDMTFIU-LLVKDONJSA-N	-1	0	270.329	0.795	20	30		CCEDRM
C=C(C)C[C@@H](NC(=O)COc1cc(C)on1)C(=O)[O-]	ZINC000864188048	613355746	/nfs/dbraw/zinc/35/57/46/613355746.db2.gz	QHPYSSNBYDRNCO-SECBINFHSA-N	-1	0	268.269	0.897	20	30		CCEDRM
C=C(C)C[C@@H](NC(C)=O)C(=O)[N-]OCCN1CCCC1=O	ZINC000856046154	613356429	/nfs/dbraw/zinc/35/64/29/613356429.db2.gz	YCMYFYTZUPFWLG-GFCCVEGCSA-N	-1	0	297.355	0.128	20	30		CCEDRM
C=C(C)C[C@H](CO)NS(=O)(=O)c1ccc(C)nn1	ZINC000882845847	613358514	/nfs/dbraw/zinc/35/85/14/613358514.db2.gz	YMGDAMOLTRUMDA-SNVBAGLBSA-N	-1	0	271.342	0.390	20	30		CCEDRM
C=C(C)C[C@H](NS(=O)(=O)c1cccn1C)C(=O)[O-]	ZINC000864450840	613359996	/nfs/dbraw/zinc/35/99/96/613359996.db2.gz	AIHSCKXFWVQUDW-VIFPVBQESA-N	-1	0	272.326	0.723	20	30		CCEDRM
C=C(C)[C@H](CC(=O)N[C@@H](COC)C(=O)[O-])OCC	ZINC000833366792	613362210	/nfs/dbraw/zinc/36/22/10/613362210.db2.gz	DFWPCDOGGLCKGW-UWVGGRQHSA-N	-1	0	259.302	0.574	20	30		CCEDRM
C=C(Cl)C[C@@H](NC(=O)NCCn1cccn1)C(=O)[O-]	ZINC000864522283	613388623	/nfs/dbraw/zinc/38/86/23/613388623.db2.gz	WEHHQEHBQNFGHH-SECBINFHSA-N	-1	0	286.719	0.778	20	30		CCEDRM
C=C(Cl)C[C@@H](NC(=O)[C@@H]1CCCS1(=O)=O)C(=O)[O-]	ZINC000864186787	613388635	/nfs/dbraw/zinc/38/86/35/613388635.db2.gz	XOYROVDWXOZBQE-SFYZADRCSA-N	-1	0	295.744	0.276	20	30		CCEDRM
C=C(Cl)C[C@@H](NS(=O)(=O)CCC)C(=O)[O-]	ZINC000863419523	613388732	/nfs/dbraw/zinc/38/87/32/613388732.db2.gz	CXCKHRPIJWBEPX-SSDOTTSWSA-N	-1	0	255.723	0.912	20	30		CCEDRM
C=C(Cl)C[C@H](NC(=O)CCn1cccn1)C(=O)[O-]	ZINC000864190340	613390612	/nfs/dbraw/zinc/39/06/12/613390612.db2.gz	ZTGSCTIWUDEGBT-VIFPVBQESA-N	-1	0	271.704	0.985	20	30		CCEDRM
C=C(Cl)C[C@H](NC(=O)[C@@H](O)CCSC)C(=O)[O-]	ZINC000910265348	613390680	/nfs/dbraw/zinc/39/06/80/613390680.db2.gz	DEUKEZCOJCDEJC-YUMQZZPRSA-N	-1	0	281.761	0.812	20	30		CCEDRM
C=C(Cl)C[C@H](NS(=O)(=O)[C@@H]1CCO[C@@H]1C)C(=O)[O-]	ZINC000863420391	613390901	/nfs/dbraw/zinc/39/09/01/613390901.db2.gz	NAGVDUSJIADUKN-HRDYMLBCSA-N	-1	0	297.760	0.679	20	30		CCEDRM
C=CCS(=O)(=O)[N-]C(=O)c1nn(CC)cc1[N+](=O)[O-]	ZINC000755842051	613394748	/nfs/dbraw/zinc/39/47/48/613394748.db2.gz	GFFANNSFWOBXDM-UHFFFAOYSA-N	-1	0	288.285	0.057	20	30		CCEDRM
C=CCSCCNC(=O)C(=O)NC[C@H](CC)C(=O)[O-]	ZINC000927942103	613395112	/nfs/dbraw/zinc/39/51/12/613395112.db2.gz	XKKZVEVBCPPSOP-VIFPVBQESA-N	-1	0	288.369	0.249	20	30		CCEDRM
C=CC[C@@H](C(=O)OC)N1CCC[C@@H](c2n[nH]c(=O)[n-]2)C1	ZINC000878622185	613397214	/nfs/dbraw/zinc/39/72/14/613397214.db2.gz	LXDRIIPUBNMTMA-ZJUUUORDSA-N	-1	0	280.328	0.807	20	30		CCEDRM
C=CC[C@@H](C(=O)OC)N1CCC[C@H](c2n[nH]c(=O)[n-]2)C1	ZINC000878622183	613397342	/nfs/dbraw/zinc/39/73/42/613397342.db2.gz	LXDRIIPUBNMTMA-UWVGGRQHSA-N	-1	0	280.328	0.807	20	30		CCEDRM
C=CC[C@@H](CO)CNC(=O)Cc1cc(=O)n(CC(C)C)[n-]1	ZINC000935235820	613401566	/nfs/dbraw/zinc/40/15/66/613401566.db2.gz	OBQGQOGIFRVSGJ-GFCCVEGCSA-N	-1	0	295.383	0.676	20	30		CCEDRM
C=CC[C@@H](CO)CNC(=O)[C@@H](CC(C)C)NC(=O)[O-]	ZINC000833369899	613402179	/nfs/dbraw/zinc/40/21/79/613402179.db2.gz	HEDGOYKMGABVRZ-GHMZBOCLSA-N	-1	0	272.345	0.970	20	30		CCEDRM
C=CC[C@@H](CO)CNC(=O)[C@@H]1CC[C@H](C(=O)[O-])C1	ZINC000911651304	613402562	/nfs/dbraw/zinc/40/25/62/613402562.db2.gz	PUKQYMZFVJUHLD-MXWKQRLJSA-N	-1	0	255.314	0.788	20	30		CCEDRM
C=C1CCN(C(=O)[C@@H]2CN(C(=O)[O-])CCO2)CC1	ZINC000823486485	613414957	/nfs/dbraw/zinc/41/49/57/613414957.db2.gz	XEHZWCAEUCNGGV-JTQLQIEISA-N	-1	0	254.286	0.544	20	30		CCEDRM
C=CC[C@H](CO)CNC(=O)[C@@H]1CC[C@H](C(=O)[O-])C1	ZINC000911651303	613415667	/nfs/dbraw/zinc/41/56/67/613415667.db2.gz	PUKQYMZFVJUHLD-AXFHLTTASA-N	-1	0	255.314	0.788	20	30		CCEDRM
C=CC[C@H](CO)[N-]S(=O)(=O)N=S(=O)(CC)CC	ZINC000867101418	613418690	/nfs/dbraw/zinc/41/86/90/613418690.db2.gz	UNWMPHKVBKAGJW-SECBINFHSA-N	-1	0	284.403	0.266	20	30		CCEDRM
C=CCn1cc(C(=O)N2CC[C@](COC)(C(=O)[O-])C2)nn1	ZINC000844155031	613426879	/nfs/dbraw/zinc/42/68/79/613426879.db2.gz	FRCACVBDBCEIMX-ZDUSSCGKSA-N	-1	0	294.311	0.027	20	30		CCEDRM
C=CCn1cc(C(=O)N[C@](C)(CC(=O)[O-])C2CC2)nn1	ZINC000864201261	613431876	/nfs/dbraw/zinc/43/18/76/613431876.db2.gz	QMZGEPPZSVZGPP-CYBMUJFWSA-N	-1	0	278.312	0.837	20	30		CCEDRM
C=CCn1cc(C/N=C/c2c(O)c(C)ncc2CO)nn1	ZINC000818992783	613433822	/nfs/dbraw/zinc/43/38/22/613433822.db2.gz	UCVDTEFVEGABTF-VIZOYTHASA-N	-1	0	287.323	0.985	20	30		CCEDRM
C=CCn1cc(CNC(=O)[C@@H]2C[C@@]2(C(=O)[O-])C(C)C)nn1	ZINC000899789874	613435237	/nfs/dbraw/zinc/43/52/37/613435237.db2.gz	YTEYJIRCIJBUEY-SMDDNHRTSA-N	-1	0	292.339	0.827	20	30		CCEDRM
C=C[C@@H](C)NC(=O)C(=O)Nc1ccc(NC(=O)[O-])nc1	ZINC000823486205	613442337	/nfs/dbraw/zinc/44/23/37/613442337.db2.gz	RLXMQGPISWWXNT-SSDOTTSWSA-N	-1	0	278.268	0.801	20	30		CCEDRM
C=C[C@@H](C)O[N-]C(=O)C1(S(C)(=O)=O)CCCC1	ZINC000846549837	613443210	/nfs/dbraw/zinc/44/32/10/613443210.db2.gz	KTQYIVDGHZINEI-SECBINFHSA-N	-1	0	261.343	0.966	20	30		CCEDRM
C=C[C@@H](C)O[N-]C(=O)C(=O)Nc1cc2n(n1)CCCC2	ZINC000846157585	613443230	/nfs/dbraw/zinc/44/32/30/613443230.db2.gz	VQEFMKYKYKYTOE-SECBINFHSA-N	-1	0	278.312	0.780	20	30		CCEDRM
C=CC1(S(=O)(=O)[N-]C(=O)CCn2cccn2)CC1	ZINC000870832194	613450420	/nfs/dbraw/zinc/45/04/20/613450420.db2.gz	XABJPGHSWPTILT-UHFFFAOYSA-N	-1	0	269.326	0.438	20	30		CCEDRM
C=CC1(S(=O)(=O)[N-]C(=O)[C@@H](OC)C2CC2)CC1	ZINC000870836853	613451283	/nfs/dbraw/zinc/45/12/83/613451283.db2.gz	OYBGSBVZNCHZQQ-VIFPVBQESA-N	-1	0	259.327	0.576	20	30		CCEDRM
C=CC1(S(=O)(=O)[N-]C(=O)[C@@]2(C)CCCOC2)CC1	ZINC000870836195	613451668	/nfs/dbraw/zinc/45/16/68/613451668.db2.gz	ZQAPZEMOPDLVEB-NSHDSACASA-N	-1	0	273.354	0.968	20	30		CCEDRM
C=CC1(S(=O)(=O)[N-]C(=O)c2cc(OC)ccn2)CC1	ZINC000870838519	613451981	/nfs/dbraw/zinc/45/19/81/613451981.db2.gz	CNDGGLVWSPDQMR-UHFFFAOYSA-N	-1	0	282.321	0.868	20	30		CCEDRM
C=CC1(S(=O)(=O)[N-]C(=O)[C@H]2C[C@@]23CCOC3)CC1	ZINC000870835550	613451999	/nfs/dbraw/zinc/45/19/99/613451999.db2.gz	FAIAKYKPHZQXIE-MWLCHTKSSA-N	-1	0	271.338	0.578	20	30		CCEDRM
C=CCC(F)(F)C(=O)[N-]S(=O)(=O)Cc1ccon1	ZINC000815970219	613454935	/nfs/dbraw/zinc/45/49/35/613454935.db2.gz	SIQNVTQHTMLLKL-UHFFFAOYSA-N	-1	0	280.252	0.832	20	30		CCEDRM
C=CCC(F)(F)C(=O)[N-]S(=O)(=O)[C@@H]1CCOC1	ZINC000815948855	613455034	/nfs/dbraw/zinc/45/50/34/613455034.db2.gz	WLXPZWLVTDQUMA-SSDOTTSWSA-N	-1	0	269.269	0.433	20	30		CCEDRM
C=CCC1(S(=O)(=O)[N-]C(=O)C2=COCC2)CC1	ZINC000810983936	613460875	/nfs/dbraw/zinc/46/08/75/613460875.db2.gz	MJAGSGCHJZBSLL-UHFFFAOYSA-N	-1	0	257.311	0.845	20	30		CCEDRM
C=CCC1(S(=O)(=O)[N-]C(=O)Cc2ccnn2C)CC1	ZINC000810983625	613460879	/nfs/dbraw/zinc/46/08/79/613460879.db2.gz	DJHICQCLOVKGEI-UHFFFAOYSA-N	-1	0	283.353	0.517	20	30		CCEDRM
C=CCC1(S(=O)(=O)[N-]C(=O)[C@@H](C)NC(=O)CC)CC1	ZINC000810985403	613461242	/nfs/dbraw/zinc/46/12/42/613461242.db2.gz	KLNSISUVCRWLNC-SECBINFHSA-N	-1	0	288.369	0.456	20	30		CCEDRM
C=CCC1(S(=O)(=O)[N-]C(=O)[C@@H]2CO[C@@H](C)C2)CC1	ZINC000810988289	613461318	/nfs/dbraw/zinc/46/13/18/613461318.db2.gz	GNVAVIQBYIZUKA-UWVGGRQHSA-N	-1	0	273.354	0.966	20	30		CCEDRM
C=CCCC(=O)Cn1cc([N+](=O)[O-])cc(C(=O)[O-])c1=O	ZINC000833373288	613461920	/nfs/dbraw/zinc/46/19/20/613461920.db2.gz	JSGRDSNPKCPLOF-UHFFFAOYSA-N	-1	0	280.236	0.990	20	30		CCEDRM
C=CCCCC(=O)N1C[C@@H]2COC[C@]2(C(=O)[O-])C1	ZINC000851697916	613464835	/nfs/dbraw/zinc/46/48/35/613464835.db2.gz	WTJIYEKQDRFKJA-ZWNOBZJWSA-N	-1	0	253.298	0.902	20	30		CCEDRM
C=CCCCS(=O)(=O)N[C@@H]1CCOC[C@H]1CC(=O)[O-]	ZINC000899950000	613469827	/nfs/dbraw/zinc/46/98/27/613469827.db2.gz	MFQBFDWMYPYICZ-GHMZBOCLSA-N	-1	0	291.369	0.752	20	30		CCEDRM
C=C[C@@H]1OCC[C@H]1CNC(=O)[C@H]1CO[C@@H](CCC(=O)[O-])C1	ZINC000901682382	613470041	/nfs/dbraw/zinc/47/00/41/613470041.db2.gz	SCENJMZDQOVXRF-RNJOBUHISA-N	-1	0	297.351	0.964	20	30		CCEDRM
C=CCCC[C@@H](NC(=O)NC[C@@H]1COCCO1)C(=O)[O-]	ZINC000905534092	613470669	/nfs/dbraw/zinc/47/06/69/613470669.db2.gz	HIZMEFUMSLTCDK-GHMZBOCLSA-N	-1	0	286.328	0.511	20	30		CCEDRM
C=CCCC[C@@H](NC(=O)c1ccc(=O)n(C)c1)C(=O)[O-]	ZINC000910916476	613471408	/nfs/dbraw/zinc/47/14/08/613471408.db2.gz	WIHNFNVNYCIPAO-LLVKDONJSA-N	-1	0	278.308	0.925	20	30		CCEDRM
C=CCCC[C@@H](NC(=O)[C@H]1COCCO1)C(=O)[O-]	ZINC000910915165	613471535	/nfs/dbraw/zinc/47/15/35/613471535.db2.gz	VYLIHAXFURPQIT-NXEZZACHSA-N	-1	0	257.286	0.328	20	30		CCEDRM
C=CCCC[C@H](NC(=O)[C@]1(O)CCOC1)C(=O)[O-]	ZINC000910916658	613474400	/nfs/dbraw/zinc/47/44/00/613474400.db2.gz	HSPDDRAIXGZOPV-CABZTGNLSA-N	-1	0	257.286	0.064	20	30		CCEDRM
C=C[C@@](C)(O)C(=O)N1CC[C@](C(=O)[O-])(C(C)C)C1	ZINC000909699353	613477948	/nfs/dbraw/zinc/47/79/48/613477948.db2.gz	GJOTWPPIGYYDBT-CHWSQXEVSA-N	-1	0	255.314	0.883	20	30		CCEDRM
C=C[C@H](C)O[N-]C(=O)C1=C(C)OCCS1(=O)=O	ZINC000846550255	613483776	/nfs/dbraw/zinc/48/37/76/613483776.db2.gz	WNNOKEVHJQVZRJ-ZETCQYMHSA-N	-1	0	261.299	0.285	20	30		CCEDRM
C=C[C@H](C)O[N-]C(=O)CN(C)Cc1nnc(C)n1C	ZINC000846551314	613484171	/nfs/dbraw/zinc/48/41/71/613484171.db2.gz	RRIUTLHTPPXFHD-VIFPVBQESA-N	-1	0	267.333	0.178	20	30		CCEDRM
C=C[C@H](O)C(=O)N[C@@]1(C(=O)[O-])CCc2ccccc21	ZINC000908979562	613496829	/nfs/dbraw/zinc/49/68/29/613496829.db2.gz	TVDUQVANWNVTBR-FZMZJTMJSA-N	-1	0	261.277	0.576	20	30		CCEDRM
C=C[C@H](O)C(=O)N[C@H](CC1(OC)CCC1)C(=O)[O-]	ZINC000909895802	613497313	/nfs/dbraw/zinc/49/73/13/613497313.db2.gz	RZCRLKYRJMHKNU-BDAKNGLRSA-N	-1	0	257.286	0.062	20	30		CCEDRM
C=C[C@](C)(CCOC)C(=O)[N-]S(=O)(=O)CC(F)F	ZINC000851362675	613506078	/nfs/dbraw/zinc/50/60/78/613506078.db2.gz	KHDKCPUXYVUPLF-SNVBAGLBSA-N	-1	0	285.312	0.926	20	30		CCEDRM
C=CCCOCC(=O)N1CC[C@@H](C(=O)OC)C[C@H]1C(=O)[O-]	ZINC000833373876	613571694	/nfs/dbraw/zinc/57/16/94/613571694.db2.gz	HLEQGOUFGPDGAT-MNOVXSKESA-N	-1	0	299.323	0.444	20	30		CCEDRM
C=CCCOCC(=O)N[C@@H](C(=O)[O-])c1cccnc1	ZINC000910981255	613572743	/nfs/dbraw/zinc/57/27/43/613572743.db2.gz	FRLRNHOFDATYIW-GFCCVEGCSA-N	-1	0	264.281	0.916	20	30		CCEDRM
C=CCCOCC(=O)[N-]S(=O)(=O)c1cnccc1C	ZINC000842393773	613572769	/nfs/dbraw/zinc/57/27/69/613572769.db2.gz	ZXLUIZSAGONXSD-UHFFFAOYSA-N	-1	0	284.337	0.788	20	30		CCEDRM
C=CCCOCCNC(=O)Cn1ccc(C(=O)[O-])n1	ZINC000909593619	613574386	/nfs/dbraw/zinc/57/43/86/613574386.db2.gz	GWWQFSLKMSXGLE-UHFFFAOYSA-N	-1	0	267.285	0.290	20	30		CCEDRM
C=CCCO[N-]C(=O)Cc1nc(C2CC2)nn1C	ZINC000856027272	613576692	/nfs/dbraw/zinc/57/66/92/613576692.db2.gz	GIFQVGKRJMUNKO-UHFFFAOYSA-N	-1	0	250.302	0.859	20	30		CCEDRM
C=CCCO[C@@H](C)C(=O)N[C@H](CSC)C(=O)[O-]	ZINC000910880604	613578574	/nfs/dbraw/zinc/57/85/74/613578574.db2.gz	FWUXTBSVRMLOIX-DTWKUNHWSA-N	-1	0	261.343	0.900	20	30		CCEDRM
C=CCCS(=O)(=O)N(C)[C@H](C)CNC(=O)[O-]	ZINC000823496742	613580092	/nfs/dbraw/zinc/58/00/92/613580092.db2.gz	PEAQATPEMMGXBX-MRVPVSSYSA-N	-1	0	250.320	0.480	20	30		CCEDRM
C=CCCS(=O)(=O)N[C@H](C[C@@H]1CCCO1)C(=O)[O-]	ZINC000903029473	613581469	/nfs/dbraw/zinc/58/14/69/613581469.db2.gz	LAXKNZJBZMUKIX-VHSXEESVSA-N	-1	0	277.342	0.504	20	30		CCEDRM
C=CCCS(=O)(=O)N[C@H](C[C@H]1CCCO1)C(=O)[O-]	ZINC000903029471	613582201	/nfs/dbraw/zinc/58/22/01/613582201.db2.gz	LAXKNZJBZMUKIX-NXEZZACHSA-N	-1	0	277.342	0.504	20	30		CCEDRM
C=CCC[C@@H](NC(=O)C1CCN(OC)CC1)C(=O)[O-]	ZINC000909713044	613584384	/nfs/dbraw/zinc/58/43/84/613584384.db2.gz	DMDGNYUPXVQBBJ-LLVKDONJSA-N	-1	0	270.329	0.795	20	30		CCEDRM
C=CCC[C@H](NC(=O)c1csc(CO)n1)C(=O)[O-]	ZINC000909716147	613590521	/nfs/dbraw/zinc/59/05/21/613590521.db2.gz	PULUASHHAFGKGA-ZETCQYMHSA-N	-1	0	270.310	0.785	20	30		CCEDRM
C=CCC[C@H](NC(=O)[C@]1(O)CCSC1)C(=O)[O-]	ZINC000909715320	613590554	/nfs/dbraw/zinc/59/05/54/613590554.db2.gz	LQTYBEMIBBQCAA-KWQFWETISA-N	-1	0	259.327	0.390	20	30		CCEDRM
C=CCCn1cc(C(=O)N[C@H](CC(=O)[O-])C2CC2)nn1	ZINC000819924254	613595677	/nfs/dbraw/zinc/59/56/77/613595677.db2.gz	JNLKQXXJHKNYDB-SNVBAGLBSA-N	-1	0	278.312	0.837	20	30		CCEDRM
C=CCN(C(=O)C(=O)N1CC[C@@H](C(=O)[O-])[C@@H](C)C1)C(C)C	ZINC000863748239	613602118	/nfs/dbraw/zinc/60/21/18/613602118.db2.gz	NONWFVNHANJCDW-NWDGAFQWSA-N	-1	0	296.367	0.979	20	30		CCEDRM
C=CCN(C(=O)Cn1ccc(C(=O)[O-])n1)[C@H](C)COC	ZINC000909952924	613605279	/nfs/dbraw/zinc/60/52/79/613605279.db2.gz	BWUGWLWLAYHWNV-SNVBAGLBSA-N	-1	0	281.312	0.631	20	30		CCEDRM
C=CCN(CC(=O)[O-])C(=O)/C=C(\C)CN1CCOCC1	ZINC000909515785	613641846	/nfs/dbraw/zinc/64/18/46/613641846.db2.gz	GLOALBVCNKBTME-FMIVXFBMSA-N	-1	0	282.340	0.364	20	30		CCEDRM
C=CCN(CC(=O)[O-])C(=O)Cc1cncc(O)c1	ZINC000909514086	613642478	/nfs/dbraw/zinc/64/24/78/613642478.db2.gz	BJYGCKGUMRTTLG-UHFFFAOYSA-N	-1	0	250.254	0.429	20	30		CCEDRM
C=CCN(CC(=O)[O-])C(=O)C[C@H]1CCOC[C@@H]1OCC	ZINC000864136343	613642772	/nfs/dbraw/zinc/64/27/72/613642772.db2.gz	XKMNZJHATQQHGI-NEPJUHHUSA-N	-1	0	285.340	0.917	20	30		CCEDRM
C=CCN(CC(=O)[O-])C(=O)[C@H](CC)N1CCO[C@H](CC)C1	ZINC000909516956	613643062	/nfs/dbraw/zinc/64/30/62/613643062.db2.gz	VIQIZMMJLVUIRZ-OLZOCXBDSA-N	-1	0	298.383	0.975	20	30		CCEDRM
CC#CCS(=O)(=O)[N-]C(=O)CCNC(=O)C(C)(C)C	ZINC000798203101	613645777	/nfs/dbraw/zinc/64/57/77/613645777.db2.gz	SNMQAPVDKJAGFA-UHFFFAOYSA-N	-1	0	288.369	0.008	20	30		CCEDRM
CC#CCS(=O)(=O)[N-]C(=O)CCC(=O)c1ccccn1	ZINC000810775715	613645812	/nfs/dbraw/zinc/64/58/12/613645812.db2.gz	QRYRGKMWYDUROQ-UHFFFAOYSA-N	-1	0	294.332	0.514	20	30		CCEDRM
CC#CCS(=O)(=O)[N-]C(=O)CC[C@@H]1CC[C@@H](C)O1	ZINC000810774322	613645878	/nfs/dbraw/zinc/64/58/78/613645878.db2.gz	XCTMCYHFTOZBSX-MNOVXSKESA-N	-1	0	273.354	0.803	20	30		CCEDRM
CC#CCS(=O)(=O)[N-]C(=O)[C@@H](C)OCC(C)C	ZINC000810778076	613646158	/nfs/dbraw/zinc/64/61/58/613646158.db2.gz	OABZIXRVOKYACK-SNVBAGLBSA-N	-1	0	261.343	0.517	20	30		CCEDRM
CC#CCS(=O)(=O)[N-]C(=O)Cc1ccc(OC)c(F)c1	ZINC000791110952	613646165	/nfs/dbraw/zinc/64/61/65/613646165.db2.gz	ICLFAALASHPAID-UHFFFAOYSA-N	-1	0	299.323	0.846	20	30		CCEDRM
CC#CCS(=O)(=O)[N-]C(=O)[C@H]1Cc2cccc(C)c2O1	ZINC000835372875	613646987	/nfs/dbraw/zinc/64/69/87/613646987.db2.gz	ZNUCUBYGVFURFG-GFCCVEGCSA-N	-1	0	293.344	0.768	20	30		CCEDRM
CC#CCS(=O)(=O)[N-]C(=O)c1cnn(CC)c1C	ZINC000870330595	613647993	/nfs/dbraw/zinc/64/79/93/613647993.db2.gz	GDVXDMISDZDWDI-UHFFFAOYSA-N	-1	0	269.326	0.294	20	30		CCEDRM
CC#CCS(=O)(=O)[N-]C(=O)c1cnn(C)c1CC	ZINC000810777581	613648014	/nfs/dbraw/zinc/64/80/14/613648014.db2.gz	JUEUXNJHJIMPFD-UHFFFAOYSA-N	-1	0	269.326	0.065	20	30		CCEDRM
C=CCN(CC=C)C(=O)[C@H](C)N1CCO[C@H](CC(=O)[O-])C1	ZINC000825682427	613648423	/nfs/dbraw/zinc/64/84/23/613648423.db2.gz	ZSSNUQYPSWOEFN-QWHCGFSZSA-N	-1	0	296.367	0.751	20	30		CCEDRM
CC(N=NC1=NC(=O)C(=O)N1)[C@@H](C)CCCCC(=O)[O-]	ZINC000814890424	613653886	/nfs/dbraw/zinc/65/38/86/613653886.db2.gz	UWZXSOCWESQWGG-ZETCQYMHSA-N	-1	0	282.300	0.245	20	30		CCEDRM
CC(=O)CCC(=O)[N-]S(=O)(=O)CC1(C#N)CCC1	ZINC000800405917	613668682	/nfs/dbraw/zinc/66/86/82/613668682.db2.gz	FSUNZBBIHKYKEQ-UHFFFAOYSA-N	-1	0	272.326	0.495	20	30		CCEDRM
C=CCN1CC[C@H](N2CCCC[C@H]2C(=O)[O-])C1=O	ZINC000873646431	613777626	/nfs/dbraw/zinc/77/76/26/613777626.db2.gz	HLBMDFNDAOHWIN-QWRGUYRKSA-N	-1	0	252.314	0.712	20	30		CCEDRM
C=CCNC(=O)C(=O)Nc1ccsc1C(=O)[O-]	ZINC000833377465	613844955	/nfs/dbraw/zinc/84/49/55/613844955.db2.gz	YLQULWBBRXJQES-UHFFFAOYSA-N	-1	0	254.267	0.687	20	30		CCEDRM
C=CCNC(=O)C(=O)Nc1ccc(C)c(C(=O)[O-])c1	ZINC000825687738	613844963	/nfs/dbraw/zinc/84/49/63/613844963.db2.gz	UPMTZCJGZRDUFY-UHFFFAOYSA-N	-1	0	262.265	0.934	20	30		CCEDRM
C=CCNC(=O)C(C#N)=C([O-])c1cc(C)nc2cc(C)nn21	ZINC000917427206	613852952	/nfs/dbraw/zinc/85/29/52/613852952.db2.gz	UOMFYKHHTPTPHW-NSHDSACASA-N	-1	0	297.318	0.971	20	30		CCEDRM
C=CCNC(=O)C(C#N)=C([O-])c1ccc2c(n1)OCCO2	ZINC000847623550	613854866	/nfs/dbraw/zinc/85/48/66/613854866.db2.gz	ANRORRRWYVRUKP-SECBINFHSA-N	-1	0	287.275	0.477	20	30		CCEDRM
C=CCNC(=O)c1ccc(N2CCO[C@H](C(=O)[O-])C2)nc1	ZINC000817685873	613856175	/nfs/dbraw/zinc/85/61/75/613856175.db2.gz	RHARSIKXMXSXDR-NSHDSACASA-N	-1	0	291.307	0.287	20	30		CCEDRM
C=CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1C(=O)[O-]	ZINC000833376008	613860317	/nfs/dbraw/zinc/86/03/17/613860317.db2.gz	QNUDOYMVJNWNLH-UHFFFAOYSA-N	-1	0	286.265	0.757	20	30		CCEDRM
C=CCOCC(=O)N1CC[C@H]2CC[C@@H](C1)N2C(=O)[O-]	ZINC000823516786	613879146	/nfs/dbraw/zinc/87/91/46/613879146.db2.gz	VQJSIDSQJYUIAX-MNOVXSKESA-N	-1	0	268.313	0.932	20	30		CCEDRM
C=CCOCC(=O)[N-]S(=O)(=O)[C@@H]1COC(C)(C)C1	ZINC000861144962	613879361	/nfs/dbraw/zinc/87/93/61/613879361.db2.gz	YCFHWCHKYIVBLC-VIFPVBQESA-N	-1	0	277.342	0.203	20	30		CCEDRM
C=CCOCC(=O)N[C@@H](CCSC)c1nnn[n-]1	ZINC000912859930	613879401	/nfs/dbraw/zinc/87/94/01/613879401.db2.gz	DIWQNNFUDUCWTR-QMMMGPOBSA-N	-1	0	271.346	0.313	20	30		CCEDRM
C=CCOCC(=O)N[C@H](CC(=O)[O-])C(F)(F)F	ZINC000911157592	613879491	/nfs/dbraw/zinc/87/94/91/613879491.db2.gz	JVEDFUSMUIAHCZ-ZCFIWIBFSA-N	-1	0	255.192	0.711	20	30		CCEDRM
C=CCOC[C@@H](NC(=O)C1(C#N)CC2(CC2)C1)C(=O)[O-]	ZINC000923078444	613881536	/nfs/dbraw/zinc/88/15/36/613881536.db2.gz	IASXAJPBVSSAET-SNVBAGLBSA-N	-1	0	278.308	0.842	20	30		CCEDRM
C=CCOC[C@@H](NC(=O)CCn1ccnc1)C(=O)[O-]	ZINC000909768209	613881621	/nfs/dbraw/zinc/88/16/21/613881621.db2.gz	TWJATWAXCCVUSC-SNVBAGLBSA-N	-1	0	267.285	0.045	20	30		CCEDRM
C=CCOC[C@@H](NC(=O)Cc1ncccc1OC)C(=O)[O-]	ZINC000909770964	613881681	/nfs/dbraw/zinc/88/16/81/613881681.db2.gz	JXQUAJILUQRSMF-LLVKDONJSA-N	-1	0	294.307	0.405	20	30		CCEDRM
C=CCOC[C@@H](NC(=O)c1cn(C(C)C)cn1)C(=O)[O-]	ZINC000909772685	613881903	/nfs/dbraw/zinc/88/19/03/613881903.db2.gz	UXJHDZQDLQNFRE-LLVKDONJSA-N	-1	0	281.312	0.850	20	30		CCEDRM
C=CCOC[C@@H](NC(=O)c1cn(C)nc1C1CC1)C(=O)[O-]	ZINC000909769620	613881926	/nfs/dbraw/zinc/88/19/26/613881926.db2.gz	AVDDAMQWEOGNPD-LLVKDONJSA-N	-1	0	293.323	0.683	20	30		CCEDRM
C=CCOC[C@H](NC(=O)[C@@H](C)[C@H]1CCCO1)C(=O)[O-]	ZINC000909767395	613882428	/nfs/dbraw/zinc/88/24/28/613882428.db2.gz	NQWVRHNSIAGSRN-GARJFASQSA-N	-1	0	271.313	0.574	20	30		CCEDRM
C=CCOC[C@H](NC(=O)[C@@H]1C[C@]12CCOC2)C(=O)[O-]	ZINC000909769160	613882618	/nfs/dbraw/zinc/88/26/18/613882618.db2.gz	XPSGRRRZTLBCCS-KWBADKCTSA-N	-1	0	269.297	0.185	20	30		CCEDRM
C=CCOC[C@H](NC(=O)[C@H]1CCc2cncn2C1)C(=O)[O-]	ZINC000909769124	613882625	/nfs/dbraw/zinc/88/26/25/613882625.db2.gz	XMPOSJFDBOGZHD-JQWIXIFHSA-N	-1	0	293.323	0.218	20	30		CCEDRM
C=CCO[N-]C(=O)C(=O)NCCCc1ccccc1	ZINC000837046815	613882989	/nfs/dbraw/zinc/88/29/89/613882989.db2.gz	PAEGANQBWOGKNR-UHFFFAOYSA-N	-1	0	262.309	0.969	20	30		CCEDRM
C=CCOc1cccnc1C(=O)NC1CN(C(=O)[O-])C1	ZINC000833379039	613884840	/nfs/dbraw/zinc/88/48/40/613884840.db2.gz	VTLIIRWSWZQULD-UHFFFAOYSA-N	-1	0	277.280	0.738	20	30		CCEDRM
C=CCS(=O)(=O)[N-]C(=O)[C@H](OC)C1CCCC1	ZINC000850913047	613886194	/nfs/dbraw/zinc/88/61/94/613886194.db2.gz	KOTLXFHEIKRVQU-SNVBAGLBSA-N	-1	0	261.343	0.824	20	30		CCEDRM
C=CCS(=O)(=O)[N-]C(=O)c1cnc2n1CCC2	ZINC000850913975	613886278	/nfs/dbraw/zinc/88/62/78/613886278.db2.gz	XYWYLXQHMWSACE-UHFFFAOYSA-N	-1	0	255.299	0.075	20	30		CCEDRM
C=CCS(=O)(=O)[N-]C(=O)c1cc(C(F)(F)F)nn1C	ZINC000835253751	613886328	/nfs/dbraw/zinc/88/63/28/613886328.db2.gz	QZGTUQOIOIZSED-UHFFFAOYSA-N	-1	0	297.258	0.685	20	30		CCEDRM
CC(C)C(=O)NCCN(C)C(=O)[C@@](C)(C#N)CC(=O)[O-]	ZINC000819955097	613909471	/nfs/dbraw/zinc/90/94/71/613909471.db2.gz	HZXCGCRWEKASLQ-CYBMUJFWSA-N	-1	0	283.328	0.222	20	30		CCEDRM
CC(C)NC(=O)C(C#N)=C([O-])c1ccc2c(n1)OCCO2	ZINC000847626401	613934094	/nfs/dbraw/zinc/93/40/94/613934094.db2.gz	LZOWWTYNZLUSGK-SECBINFHSA-N	-1	0	289.291	0.700	20	30		CCEDRM
CC(C)NC(=O)C(C#N)=C([O-])c1ccnc2ccnn21	ZINC000860473369	613934488	/nfs/dbraw/zinc/93/44/88/613934488.db2.gz	LMCBAXUFOJLZFH-SECBINFHSA-N	-1	0	271.280	0.576	20	30		CCEDRM
CC(C)(C)OC(=O)N1CC(=NNCCC(=O)[O-])C1	ZINC000819914925	613970820	/nfs/dbraw/zinc/97/08/20/613970820.db2.gz	MUBGBJPIXWBGKY-UHFFFAOYSA-N	-1	0	257.290	0.657	20	30		CCEDRM
CC(C)(C)[C@H](NC(=O)CNc1ccc(C#N)cn1)C(=O)[O-]	ZINC000833424827	614033988	/nfs/dbraw/zinc/03/39/88/614033988.db2.gz	XLGBHAUYKNVGAA-GFCCVEGCSA-N	-1	0	290.323	0.981	20	30		CCEDRM
CC(C)[C@H](NC(=O)[O-])C(=O)NCC1CCN(CC#N)CC1	ZINC000824137952	614234147	/nfs/dbraw/zinc/23/41/47/614234147.db2.gz	XHOQYDDUKVMDDU-LBPRGKRZSA-N	-1	0	296.371	0.630	20	30		CCEDRM
CC(C)Cn1[n-]c(CC(=O)NC2(C#N)CCC2)cc1=O	ZINC000930794349	614235621	/nfs/dbraw/zinc/23/56/21/614235621.db2.gz	LMVVXDYKNGRBFO-UHFFFAOYSA-N	-1	0	276.340	0.937	20	30		CCEDRM
CC(=O)c1c[nH]c(C(=O)N2CCN(C(=O)[O-])C[C@H]2C#N)c1	ZINC000823626764	614246334	/nfs/dbraw/zinc/24/63/34/614246334.db2.gz	CHAPWARDDSBUDX-SNVBAGLBSA-N	-1	0	290.279	0.545	20	30		CCEDRM
CC(C)(C#N)CNC(=O)N[C@H]1CCCN(C(=O)[O-])C1	ZINC000833413933	614285653	/nfs/dbraw/zinc/28/56/53/614285653.db2.gz	WSYBISJLNQUBMC-VIFPVBQESA-N	-1	0	268.317	0.978	20	30		CCEDRM
CC(C)[C@](C)(C#N)NC(=O)CN1CC[C@](F)(C(=O)[O-])C1	ZINC000826676097	614285973	/nfs/dbraw/zinc/28/59/73/614285973.db2.gz	CKMKEKVIKJZPEK-QWHCGFSZSA-N	-1	0	285.319	0.539	20	30		CCEDRM
CC(C)(C#N)CS(=O)(=O)[N-]C(=O)C1SCCS1	ZINC000842331179	614286932	/nfs/dbraw/zinc/28/69/32/614286932.db2.gz	YGVIKLWGMWBLOB-UHFFFAOYSA-N	-1	0	294.423	0.788	20	30		CCEDRM
CC(C)(C#N)CS(=O)(=O)[N-]C(=O)CCCF	ZINC000850930848	614287519	/nfs/dbraw/zinc/28/75/19/614287519.db2.gz	YIKNPBGEIUFKLM-UHFFFAOYSA-N	-1	0	250.295	0.732	20	30		CCEDRM
CC(CO)(CO)C(=O)OCc1cccc(C(=O)[O-])c1C#N	ZINC000833517922	614378851	/nfs/dbraw/zinc/37/88/51/614378851.db2.gz	FPSQLVHTPBISRR-UHFFFAOYSA-N	-1	0	293.275	0.291	20	30		CCEDRM
CCCCS(=O)(=O)[N-]C(=O)c1ccc(C#N)n1C	ZINC000835033922	614468458	/nfs/dbraw/zinc/46/84/58/614468458.db2.gz	LSHMROJEURQUOD-UHFFFAOYSA-N	-1	0	269.326	0.756	20	30		CCEDRM
CCC(C#N)(CC)C(=O)[N-]S(=O)(=O)Cc1ccon1	ZINC000860582082	614470254	/nfs/dbraw/zinc/47/02/54/614470254.db2.gz	YFYRHADJXIYOQR-UHFFFAOYSA-N	-1	0	285.325	0.951	20	30		CCEDRM
CCC(C#N)(CC)C(=O)[N-]S(=O)(=O)C1(COC)CC1	ZINC000860777398	614470550	/nfs/dbraw/zinc/47/05/50/614470550.db2.gz	TVAOGPFFPMWUJA-UHFFFAOYSA-N	-1	0	288.369	0.941	20	30		CCEDRM
CCCC[C@H](CNC(=O)[O-])NC(=O)N1CCO[C@H](C#N)C1	ZINC000826796790	614484592	/nfs/dbraw/zinc/48/45/92/614484592.db2.gz	XVDJDJWUUDXEEO-GHMZBOCLSA-N	-1	0	298.343	0.747	20	30		CCEDRM
CCCc1noc(CN2CCN(C(=O)[O-])C[C@H]2C#N)n1	ZINC000826960012	614501158	/nfs/dbraw/zinc/50/11/58/614501158.db2.gz	XUNFCXKENKRKOK-SECBINFHSA-N	-1	0	279.300	0.710	20	30		CCEDRM
CCCN(CC(=O)[O-])CC(=O)N(CC)C[C@H](C)C#N	ZINC000829473061	614560256	/nfs/dbraw/zinc/56/02/56/614560256.db2.gz	LOSVCDBFCOHZCW-LLVKDONJSA-N	-1	0	269.345	0.791	20	30		CCEDRM
CCN(CC#N)C(=O)Cc1cc(=O)n(CC(C)C)[n-]1	ZINC000930619621	614923286	/nfs/dbraw/zinc/92/32/86/614923286.db2.gz	RQFWUGMIZLRZPI-UHFFFAOYSA-N	-1	0	264.329	0.747	20	30		CCEDRM
CCCCC[C@H](O)CC(=O)N(CC#N)CC(=O)[O-]	ZINC000829348943	614944434	/nfs/dbraw/zinc/94/44/34/614944434.db2.gz	UEZUCDGNDJIDRA-JTQLQIEISA-N	-1	0	256.302	0.754	20	30		CCEDRM
CC1=C(C(=O)[O-])C[C@@H](CN2CCOC[C@@H]2C#N)O1	ZINC000833581204	614959025	/nfs/dbraw/zinc/95/90/25/614959025.db2.gz	VFRNXIUQPZPXMJ-UWVGGRQHSA-N	-1	0	252.270	0.358	20	30		CCEDRM
CCCCN(O)C(=O)c1c[n-]n2c1nccc2=O	ZINC000904213703	614962166	/nfs/dbraw/zinc/96/21/66/614962166.db2.gz	XYCNTEKBKNQTEM-UHFFFAOYSA-N	-1	0	250.258	0.654	20	30		CCEDRM
CCN(CC)C(=O)N1CCN(C(=O)[O-])C[C@H]1C#N	ZINC000827029304	614982105	/nfs/dbraw/zinc/98/21/05/614982105.db2.gz	IFCGQRJLXUHFQJ-SECBINFHSA-N	-1	0	254.290	0.636	20	30		CCEDRM
CCN(CCC#N)C(=O)COC1CN(C(=O)[O-])C1	ZINC000827111703	615023156	/nfs/dbraw/zinc/02/31/56/615023156.db2.gz	QXYZERYFEXLYJA-UHFFFAOYSA-N	-1	0	255.274	0.127	20	30		CCEDRM
CCNc1nc(C(=O)N[C@@H]2CCCN(O)C2=O)cs1	ZINC000854648673	615140177	/nfs/dbraw/zinc/14/01/77/615140177.db2.gz	HTFLROSRTZVUGK-SSDOTTSWSA-N	-1	0	284.341	0.685	20	30		CCEDRM
CCOC(=O)c1[n-]n(-c2ccc(C#N)cn2)c(=O)c1C	ZINC000887294699	615166540	/nfs/dbraw/zinc/16/65/40/615166540.db2.gz	JFPYNBHXNHTFKS-MRVPVSSYSA-N	-1	0	272.264	0.855	20	30		CCEDRM
CCOC(=O)C1CCN(C(=O)[C@@](C)(C#N)CC(=O)[O-])CC1	ZINC000820364667	615166961	/nfs/dbraw/zinc/16/69/61/615166961.db2.gz	QGQUHRBZGONMNQ-CQSZACIVSA-N	-1	0	296.323	0.793	20	30		CCEDRM
CCOC(=O)c1ccc(C([O-])=C(C#N)C(=O)NC)nc1	ZINC000815911477	615181354	/nfs/dbraw/zinc/18/13/54/615181354.db2.gz	CNMBDTLXORZABE-SECBINFHSA-N	-1	0	275.264	0.327	20	30		CCEDRM
CCOC(=O)CN(C)C(=O)[C@@](C)(C#N)CC(=O)[O-]	ZINC000820364372	615186945	/nfs/dbraw/zinc/18/69/45/615186945.db2.gz	FQRRLTBUCQTSQC-LLVKDONJSA-N	-1	0	256.258	0.012	20	30		CCEDRM
CCOC(=O)CS(=O)(=O)[N-]C(=O)CCCCC#N	ZINC000847672696	615200502	/nfs/dbraw/zinc/20/05/02/615200502.db2.gz	YNGZCDTZJGLGIA-UHFFFAOYSA-N	-1	0	276.314	0.079	20	30		CCEDRM
CCO[N-]C(=O)CNC(=O)Nc1cccc(C#N)n1	ZINC000844712592	615367610	/nfs/dbraw/zinc/36/76/10/615367610.db2.gz	LFSWPYQIVBHGAR-UHFFFAOYSA-N	-1	0	263.257	0.142	20	30		CCEDRM
CCO[N-]C(=O)CNC(=O)c1cccc(CC#N)c1	ZINC000846496325	615372071	/nfs/dbraw/zinc/37/20/71/615372071.db2.gz	CIMKOEPCUQRDJN-UHFFFAOYSA-N	-1	0	261.281	0.550	20	30		CCEDRM
CCO[C@@H](CC(=O)[N-]S(=O)(=O)CCC#N)C(C)C	ZINC000835410122	615402275	/nfs/dbraw/zinc/40/22/75/615402275.db2.gz	CVSQLYWNASSWLO-JTQLQIEISA-N	-1	0	276.358	0.797	20	30		CCEDRM
CCO[C@H](CC)C(=O)[N-]S(=O)(=O)c1cncc(C#N)c1	ZINC000813981248	615479132	/nfs/dbraw/zinc/47/91/32/615479132.db2.gz	WHHGKUHLTSMMNJ-LLVKDONJSA-N	-1	0	297.336	0.573	20	30		CCEDRM
CCOc1ccc(C=Nn2c(=O)[n-][nH]c2=O)c(O)c1	ZINC000814233407	615509598	/nfs/dbraw/zinc/50/95/98/615509598.db2.gz	OHDHSUGTQRNPRJ-UHFFFAOYSA-N	-1	0	264.241	0.676	20	30		CCEDRM
CC[C@@H](NC(=O)CNc1ccc(C#N)cc1)C(=O)[O-]	ZINC000818282780	615526190	/nfs/dbraw/zinc/52/61/90/615526190.db2.gz	XYSBGHWNHVBTSC-LLVKDONJSA-N	-1	0	261.281	0.950	20	30		CCEDRM
CC[C@@H](NN=C1c2cc(OC)ccc2N(C)C1=O)C(=O)[O-]	ZINC000844598402	615536195	/nfs/dbraw/zinc/53/61/95/615536195.db2.gz	OJMYFVZGORESNN-SNVBAGLBSA-N	-1	0	291.307	0.829	20	30		CCEDRM
CC[C@@H](O)CNN=Cc1cccc(OCC(=O)[O-])c1	ZINC000811652965	615542293	/nfs/dbraw/zinc/54/22/93/615542293.db2.gz	DADMZCNHPJTGGD-LLVKDONJSA-N	-1	0	266.297	0.844	20	30		CCEDRM
CC[C@@H]1CN(C(=O)[C@](C)(C#N)CC(=O)[O-])C[C@H]1O	ZINC000820297291	615560642	/nfs/dbraw/zinc/56/06/42/615560642.db2.gz	SCVFSLMODIJTEN-LNLATYFQSA-N	-1	0	254.286	0.220	20	30		CCEDRM
CC[C@@](C)(C#N)C(=O)NC[C@@H]1CCO[C@@H]1C(=O)[O-]	ZINC000923099758	615587896	/nfs/dbraw/zinc/58/78/96/615587896.db2.gz	FFLJMFGEAZQZDX-AUTRQRHGSA-N	-1	0	254.286	0.532	20	30		CCEDRM
CC[C@H](C#N)NS(=O)(=O)c1cccc(C(=O)[O-])c1	ZINC000833635803	615599990	/nfs/dbraw/zinc/59/99/90/615599990.db2.gz	ANTSOBFUYBUGTA-SECBINFHSA-N	-1	0	268.294	0.965	20	30		CCEDRM
CC[C@H](C)NC(=O)COC(=O)[C@](C)(C#N)CC(=O)[O-]	ZINC000820266299	615675427	/nfs/dbraw/zinc/67/54/27/615675427.db2.gz	FBAHOPAYASGKNL-UFBFGSQYSA-N	-1	0	270.285	0.449	20	30		CCEDRM
CC[C@H](C)[C@H](NC(=O)CN(C)CCC#N)C(=O)[O-]	ZINC000828707310	615691518	/nfs/dbraw/zinc/69/15/18/615691518.db2.gz	GHBABPDXORXIFU-ONGXEEELSA-N	-1	0	255.318	0.447	20	30		CCEDRM
CC[C@H](NN=C1CCCS(=O)(=O)CC1)C(=O)[O-]	ZINC000853348855	615819911	/nfs/dbraw/zinc/81/99/11/615819911.db2.gz	OFNYHKULLQFVSO-VIFPVBQESA-N	-1	0	262.331	0.394	20	30		CCEDRM
CN(C(=O)[O-])[C@H]1CCN(C(=O)c2cc(C#N)c[nH]2)C1	ZINC000827865921	615845355	/nfs/dbraw/zinc/84/53/55/615845355.db2.gz	ZSZTYEAFMJXXCP-VIFPVBQESA-N	-1	0	262.269	0.711	20	30		CCEDRM
CN(C(=O)c1cc(-c2nn[nH]n2)c[nH]1)C1(C#N)CCC1	ZINC000821572155	615893785	/nfs/dbraw/zinc/89/37/85/615893785.db2.gz	SZKRDNNCMTVSQS-UHFFFAOYSA-N	-1	0	271.284	0.713	20	30		CCEDRM
CC[C@](C)(NC(=O)Cc1noc(C)c1C#N)C(=O)[O-]	ZINC000833638666	615950731	/nfs/dbraw/zinc/95/07/31/615950731.db2.gz	VEODDKDHPQHMOJ-LBPRGKRZSA-N	-1	0	265.269	0.767	20	30		CCEDRM
CN(C)[C@H](C(=O)N[C@H]1CCCN(O)C1=O)c1ccccc1	ZINC000816754001	615988651	/nfs/dbraw/zinc/98/86/51/615988651.db2.gz	UHVYXXCCAHYIFF-STQMWFEESA-N	-1	0	291.351	0.786	20	30		CCEDRM
CN(Cc1ccon1)C(=O)[C@](C)(C#N)CC(=O)[O-]	ZINC000820607476	616087369	/nfs/dbraw/zinc/08/73/69/616087369.db2.gz	GHVOLCKAWDQGGF-NSHDSACASA-N	-1	0	251.242	0.638	20	30		CCEDRM
CN(CCNC(=O)c1ncc(C#N)cc1Cl)C(=O)[O-]	ZINC000828330005	616096158	/nfs/dbraw/zinc/09/61/58/616096158.db2.gz	RMXGYJYZWUSYBY-UHFFFAOYSA-N	-1	0	282.687	0.946	20	30		CCEDRM
CN(CCn1cccn1)C(=O)[C@](C)(C#N)CC(=O)[O-]	ZINC000820597378	616127886	/nfs/dbraw/zinc/12/78/86/616127886.db2.gz	MQQIFXJNFSMKSK-LBPRGKRZSA-N	-1	0	264.285	0.346	20	30		CCEDRM
CN(C[C@@H]1CCN(C(=O)c2cc(C#N)c[nH]2)C1)C(=O)[O-]	ZINC000828252982	616138950	/nfs/dbraw/zinc/13/89/50/616138950.db2.gz	DXIMOGCMTKQEOJ-VIFPVBQESA-N	-1	0	276.296	0.958	20	30		CCEDRM
CN(C[C@H](O)C1CC1)C(=O)[C@@](C)(C#N)CC(=O)[O-]	ZINC000820574266	616149040	/nfs/dbraw/zinc/14/90/40/616149040.db2.gz	KRIDIRQYTBQNOG-JOYOIKCWSA-N	-1	0	254.286	0.220	20	30		CCEDRM
CN1CCN(N=Cc2ccc(OCC(=O)[O-])cc2)CC1	ZINC000916248032	616246145	/nfs/dbraw/zinc/24/61/45/616246145.db2.gz	GKOBRQFKQXVIRH-UHFFFAOYSA-N	-1	0	277.324	0.731	20	30		CCEDRM
CN([C@H](C(=O)[O-])c1cccc(C#N)c1)[C@H]1CCN(C)C1=O	ZINC000830923558	616403413	/nfs/dbraw/zinc/40/34/13/616403413.db2.gz	LWJVXPUSVCUTOY-STQMWFEESA-N	-1	0	287.319	0.846	20	30		CCEDRM
CN1C[C@H](C(=O)[N-]Oc2cccc(C#N)c2)CC1=O	ZINC000870693357	616414847	/nfs/dbraw/zinc/41/48/47/616414847.db2.gz	DQUWRUMCOSDQQY-SNVBAGLBSA-N	-1	0	259.265	0.447	20	30		CCEDRM
COC1(C(=O)[N-]S(=O)(=O)c2cncc(C#N)c2)CCC1	ZINC000813980081	616425460	/nfs/dbraw/zinc/42/54/60/616425460.db2.gz	PPTXWSCMAFYNQH-UHFFFAOYSA-N	-1	0	295.320	0.327	20	30		CCEDRM
COC1(C(C)N=Nc2nc3[nH][nH]cc-3c(=O)n2)CCC1	ZINC000853305119	616435206	/nfs/dbraw/zinc/43/52/06/616435206.db2.gz	PDVWNWGLFUCTTB-UHFFFAOYSA-N	-1	0	276.300	0.789	20	30		CCEDRM
COCCNC(=O)C(C#N)=C([O-])c1ncn(C(C)(C)C)n1	ZINC000813059881	616492928	/nfs/dbraw/zinc/49/29/28/616492928.db2.gz	KDQBIGWFRDXDBO-VIFPVBQESA-N	-1	0	293.327	0.118	20	30		CCEDRM
COCCOCc1ccc(C=Nn2c(=O)[n-][nH]c2=O)cc1	ZINC000814232128	616569347	/nfs/dbraw/zinc/56/93/47/616569347.db2.gz	MSLFLKAXBZGZFF-UHFFFAOYSA-N	-1	0	292.295	0.735	20	30		CCEDRM
COC(=O)CN(CC(=O)[O-])C(=O)c1ccc(C#N)s1	ZINC000831170563	616588829	/nfs/dbraw/zinc/58/88/29/616588829.db2.gz	QLIVHQWYACJYHI-UHFFFAOYSA-N	-1	0	282.277	0.320	20	30		CCEDRM
COC(=O)[C@H]1CCCN(C(=O)[C@@](C)(C#N)CC(=O)[O-])C1	ZINC000820660993	616652020	/nfs/dbraw/zinc/65/20/20/616652020.db2.gz	QHRVZDGESFODKF-TVQRCGJNSA-N	-1	0	282.296	0.403	20	30		CCEDRM
COCC1(CC(=O)[N-]S(=O)(=O)CC2(C#N)CC2)CC1	ZINC000842753348	616761195	/nfs/dbraw/zinc/76/11/95/616761195.db2.gz	FACJGTAHWPWYOB-UHFFFAOYSA-N	-1	0	286.353	0.553	20	30		CCEDRM
CNC(=O)C(C#N)=C([O-])c1cc(OC)c2c(c1)OCCO2	ZINC000917002261	616777281	/nfs/dbraw/zinc/77/72/81/616777281.db2.gz	FUKATMXEOMRTOG-VIFPVBQESA-N	-1	0	290.275	0.535	20	30		CCEDRM
CNC(=O)C(C#N)=C([O-])c1cnn(-c2ccc(F)cc2)n1	ZINC000121806761	616777749	/nfs/dbraw/zinc/77/77/49/616777749.db2.gz	KWGKFYIZEDMXHE-JTQLQIEISA-N	-1	0	287.254	0.475	20	30		CCEDRM
CNC(=O)C(C#N)=C([O-])c1cccc2c1OCCCO2	ZINC000845446230	616777837	/nfs/dbraw/zinc/77/78/37/616777837.db2.gz	YDCDLYIDGLWFKF-JTQLQIEISA-N	-1	0	274.276	0.916	20	30		CCEDRM
CNC(=O)C(C#N)=C([O-])c1cccc(-n2cccn2)c1	ZINC000117083813	616778023	/nfs/dbraw/zinc/77/80/23/616778023.db2.gz	DCGXZZPJKKFSIN-LBPRGKRZSA-N	-1	0	268.276	0.941	20	30		CCEDRM
CNC(=O)C(C#N)=C([O-])c1cccc(NC(N)=O)c1	ZINC000917002657	616778064	/nfs/dbraw/zinc/77/80/64/616778064.db2.gz	MTLBYNRFUGXGJO-VIFPVBQESA-N	-1	0	260.253	0.246	20	30		CCEDRM
COCC1(S(=O)(=O)[N-]C(=O)[C@@H](C)CC#N)CC1	ZINC000851036840	616800363	/nfs/dbraw/zinc/80/03/63/616800363.db2.gz	NGBSVECFHTUAIP-QMMMGPOBSA-N	-1	0	260.315	0.161	20	30		CCEDRM
COC[C@@H](C)S(=O)(=O)N1CCC[C@H](C#CC(=O)[O-])C1	ZINC000899926546	616837523	/nfs/dbraw/zinc/83/75/23/616837523.db2.gz	NLSRQQAWLKLSOS-GHMZBOCLSA-N	-1	0	289.353	0.151	20	30		CCEDRM
COC[C@@H](C)S(=O)(=O)[N-]C(=O)c1ccc(C#N)cc1C	ZINC000129855175	616838750	/nfs/dbraw/zinc/83/87/50/616838750.db2.gz	NKGYMKLSIYAVSS-SNVBAGLBSA-N	-1	0	296.348	0.961	20	30		CCEDRM
CNC(=O)C(C#N)=C([O-])c1cn2ccc(C)cc2n1	ZINC000917003147	616839594	/nfs/dbraw/zinc/83/95/94/616839594.db2.gz	SJUUQMQJFVUBOC-SECBINFHSA-N	-1	0	256.265	0.711	20	30		CCEDRM
CNC(=O)C(C#N)=C([O-])c1ccc(C(=O)NC(C)C)cc1	ZINC000130136759	616839740	/nfs/dbraw/zinc/83/97/40/616839740.db2.gz	CRNZCVXWERWKNF-GFCCVEGCSA-N	-1	0	287.319	0.893	20	30		CCEDRM
COCCCC(=O)N1CCN(C(=O)[O-])C[C@@H]1C#N	ZINC000828945224	616853683	/nfs/dbraw/zinc/85/36/83/616853683.db2.gz	OQVOJLFWSRTLPT-VIFPVBQESA-N	-1	0	255.274	0.127	20	30		CCEDRM
COCCCNC(=O)C(C#N)=C([O-])c1ccnn1C(C)C	ZINC000131938167	616902193	/nfs/dbraw/zinc/90/21/93/616902193.db2.gz	DEWUKINIBYIMAE-LLVKDONJSA-N	-1	0	292.339	0.939	20	30		CCEDRM
COC(=O)c1cccc(CC(=O)N[C@H]2CCN(O)C2=O)c1	ZINC000820180285	616926577	/nfs/dbraw/zinc/92/65/77/616926577.db2.gz	WRUMXVSEMXAQGA-NSHDSACASA-N	-1	0	292.291	0.122	20	30		CCEDRM
COC[C@@H](OC)C(=O)[N-]S(=O)(=O)c1cccc(C#N)c1	ZINC000850739421	616933288	/nfs/dbraw/zinc/93/32/88/616933288.db2.gz	JJFPGKRFKYORLS-LLVKDONJSA-N	-1	0	298.320	0.025	20	30		CCEDRM
COC[C@@](C)(NC(=O)c1sccc1C#N)C(=O)[O-]	ZINC000831628073	617023383	/nfs/dbraw/zinc/02/33/83/617023383.db2.gz	XBHZWIQSJQUSGF-LLVKDONJSA-N	-1	0	268.294	0.839	20	30		CCEDRM
CO[C@H](C)CS(=O)(=O)[N-]C(=O)c1cc(C#N)oc1C	ZINC000797963872	617076317	/nfs/dbraw/zinc/07/63/17/617076317.db2.gz	XLWMVLNHBOCYJB-SSDOTTSWSA-N	-1	0	286.309	0.554	20	30		CCEDRM
CO[C@H](C)c1noc(COC(=O)[C@](C)(C#N)CC(=O)[O-])n1	ZINC000820697046	617079867	/nfs/dbraw/zinc/07/98/67/617079867.db2.gz	RATNPIJQSLFMNE-KRTXAFLBSA-N	-1	0	297.267	0.825	20	30		CCEDRM
CO[C@H](CC(C)C)C(=O)[N-]S(=O)(=O)CCC#N	ZINC000842353082	617081829	/nfs/dbraw/zinc/08/18/29/617081829.db2.gz	GBVIOFSKBMXWHD-SECBINFHSA-N	-1	0	262.331	0.407	20	30		CCEDRM
COc1c(O)cccc1C=Nn1c(=O)c(C)n[n-]c1=S	ZINC000812390974	617148963	/nfs/dbraw/zinc/14/89/63/617148963.db2.gz	CSEFHQAXTXDYBV-UHFFFAOYSA-N	-1	0	292.320	0.832	20	30		CCEDRM
CO[C@@H](CNC(=O)[C@@](C)(C#N)CC(=O)[O-])C(F)(F)F	ZINC000820696639	617168701	/nfs/dbraw/zinc/16/87/01/617168701.db2.gz	HXAPLHRHMDDJTH-IMTBSYHQSA-N	-1	0	282.218	0.684	20	30		CCEDRM
C=CCC[C@@H](NC(=O)[C@H]1CCCCS1(=O)=O)C(=O)[O-]	ZINC000262986491	623132726	/nfs/dbraw/zinc/13/27/26/623132726.db2.gz	UUQKNBWZKSGCFU-NXEZZACHSA-N	-1	0	289.353	0.489	20	30		CCEDRM
C[C@@H]1CO[C@H](C(=O)[N-]S(=O)(=O)CC(C)(C)C#N)C1	ZINC000892932981	623866573	/nfs/dbraw/zinc/86/65/73/623866573.db2.gz	OACWQGJBJIANFR-IUCAKERBSA-N	-1	0	274.342	0.407	20	30		CCEDRM
CC(C)S(=O)(=O)[N-]C(=O)[C@H](C)Sc1nncn1C	ZINC000049417497	624460640	/nfs/dbraw/zinc/46/06/40/624460640.db2.gz	KVEYMPOLOSKVDZ-ZETCQYMHSA-N	-1	0	292.386	0.990	20	30		CCEDRM
C#CCN(CC#C)C(=O)c1n[n-]c2ccccc2c1=O	ZINC000175727289	624482256	/nfs/dbraw/zinc/48/22/56/624482256.db2.gz	GCOYZTOGESNGOJ-UHFFFAOYSA-N	-1	0	265.272	0.632	20	30		CCEDRM
CC(=O)N(C)CC(=O)[N-]S(=O)(=O)Cc1ccccc1	ZINC000048519436	624697443	/nfs/dbraw/zinc/69/74/43/624697443.db2.gz	DQJLVCDBPHARDP-UHFFFAOYSA-N	-1	0	284.337	0.951	20	30		CCEDRM
C[C@@H](C(=O)[O-])C(=O)N1CCN(c2ccc(C#N)nc2)CC1	ZINC000902627876	634419214	/nfs/dbraw/zinc/41/92/14/634419214.db2.gz	KVLWFWUHPSMSRU-SNVBAGLBSA-N	-1	0	288.307	0.323	20	30		CCEDRM
COCCNC(=O)C(C#N)=C([O-])c1ccc(C#N)cc1C	ZINC000178551551	631330117	/nfs/dbraw/zinc/33/01/17/631330117.db2.gz	CNCPFGJRGWPEND-CYBMUJFWSA-N	-1	0	285.303	0.952	20	30		CCEDRM
Cn1cc(C(=O)[N-]S(=O)(=O)C2CCCC2)ccc1=O	ZINC000086054712	631560291	/nfs/dbraw/zinc/56/02/91/631560291.db2.gz	ZRQSBOKKTUEJPX-UHFFFAOYSA-N	-1	0	284.337	0.962	20	30		CCEDRM
C#C[C@@H](C)NC(=O)Cn1c(=O)c2ccccc2[n-]c1=S	ZINC000186328836	631966103	/nfs/dbraw/zinc/96/61/03/631966103.db2.gz	KCZCWIDIPDNWEM-SECBINFHSA-N	-1	0	287.344	0.823	20	30		CCEDRM
O=C([O-])C#C[C@@H]1CCCN(S(=O)(=O)C(F)F)C1	ZINC000899926556	633923376	/nfs/dbraw/zinc/92/33/76/633923376.db2.gz	NRKFPGXHICHEHN-ZETCQYMHSA-N	-1	0	267.253	0.339	20	30		CCEDRM
Cn1nc(C(=O)[O-])cc1C=NNC(=S)NCC1CCC1	ZINC000901183118	634201568	/nfs/dbraw/zinc/20/15/68/634201568.db2.gz	FIRIEIMKTJFMGD-UHFFFAOYSA-N	-1	0	295.368	0.716	20	30		CCEDRM
Cc1n[nH]cc1S(=O)(=O)N[C@H](CC#N)C(F)(F)F	ZINC000901771940	634275860	/nfs/dbraw/zinc/27/58/60/634275860.db2.gz	IEOCBDWCMNXNTL-SSDOTTSWSA-N	-1	0	282.247	0.841	20	30		CCEDRM
C[C@H]1C(=O)N([N-]C(=O)c2sccc2CC#N)C(=O)N1C	ZINC000912817652	636683807	/nfs/dbraw/zinc/68/38/07/636683807.db2.gz	ZQXUAZOVGQRZMO-ZETCQYMHSA-N	-1	0	292.320	0.741	20	30		CCEDRM
Cn1cc(C(N)=O)cc1C(=O)Nc1cc(C#N)ccc1[O-]	ZINC000151134737	636754260	/nfs/dbraw/zinc/75/42/60/636754260.db2.gz	JLILVPVEHSUSHT-UHFFFAOYSA-N	-1	0	284.275	0.954	20	30		CCEDRM
C#CCN(C)S(=O)(=O)c1cc(C(=O)[O-])oc1C	ZINC000164452717	636872904	/nfs/dbraw/zinc/87/29/04/636872904.db2.gz	JKCKHGFRCNIXLV-UHFFFAOYSA-N	-1	0	257.267	0.540	20	30		CCEDRM
CC[C@H](C#N)OC(=O)c1coc(S(=O)(=O)NC)c1	ZINC000166945974	636946852	/nfs/dbraw/zinc/94/68/52/636946852.db2.gz	WOGCHFRNERSOSL-MRVPVSSYSA-N	-1	0	272.282	0.647	20	30		CCEDRM
N#Cc1cccc(O[N-]C(=O)CNC(=O)N2CCCC2)c1	ZINC000913667056	637402645	/nfs/dbraw/zinc/40/26/45/637402645.db2.gz	UQVCKTXXYHQSIE-UHFFFAOYSA-N	-1	0	288.307	0.774	20	30		CCEDRM
O=C([O-])CCOc1ccc(C=NN2CC(=O)NC2=O)cc1	ZINC000915956710	637881191	/nfs/dbraw/zinc/88/11/91/637881191.db2.gz	YPVGEUIAMXSQHP-UHFFFAOYSA-N	-1	0	291.263	0.426	20	30		CCEDRM
O=C1[N-]C(=O)C(=NNc2cccc3ncccc32)C(=O)N1	ZINC000916625902	637910047	/nfs/dbraw/zinc/91/00/47/637910047.db2.gz	RQEZZJZQPCHDEX-UHFFFAOYSA-N	-1	0	283.247	0.369	20	30		CCEDRM
Cc1cc(F)ccc1NN=C1C(=O)[N-]C(=O)NC1=O	ZINC000916626363	637912094	/nfs/dbraw/zinc/91/20/94/637912094.db2.gz	ZSVOYBDKFKCCHC-UHFFFAOYSA-N	-1	0	264.216	0.268	20	30		CCEDRM
N#Cc1c[n-]c(=O)n(C[C@@H]2CC[C@H](C(F)(F)F)O2)c1=O	ZINC000917859044	637992239	/nfs/dbraw/zinc/99/22/39/637992239.db2.gz	MGFLKSMFGRFJTI-JGVFFNPUSA-N	-1	0	289.213	0.518	20	30		CCEDRM
O=C1[N-]C(=O)C(=NNc2cccc(Cl)c2F)C(=O)N1	ZINC000921205301	638162732	/nfs/dbraw/zinc/16/27/32/638162732.db2.gz	LRCXNNCDGATBTB-UHFFFAOYSA-N	-1	0	284.634	0.613	20	30		CCEDRM
Cc1ccc(F)c2c1C(=NNCC(=O)[O-])C(=O)N2	ZINC000814960202	638833787	/nfs/dbraw/zinc/83/37/87/638833787.db2.gz	MEVDTLVAXLMMSU-UHFFFAOYSA-N	-1	0	251.217	0.465	20	30		CCEDRM
CNC(=O)C(C#N)=C([O-])c1ccc(C=NOC)cc1	ZINC000255078459	639454714	/nfs/dbraw/zinc/45/47/14/639454714.db2.gz	GXUNXPPSHRDBDV-LLVKDONJSA-N	-1	0	259.265	0.735	20	30		CCEDRM
CCn1nc(C)cc1C(=O)[N-]S(=O)(=O)[C@H](C)COC	ZINC000073839017	639836137	/nfs/dbraw/zinc/83/61/37/639836137.db2.gz	VZUAKPTYNZBPRN-SECBINFHSA-N	-1	0	289.357	0.881	20	30		CCEDRM
COC[C@H](C)S(=O)(=O)[N-]C(=O)c1cnn(C)c1C	ZINC000073839346	639836284	/nfs/dbraw/zinc/83/62/84/639836284.db2.gz	OIUPVVAFHSXPRO-ZETCQYMHSA-N	-1	0	275.330	0.398	20	30		CCEDRM
C[C@@H](CNC(=O)[C@@]1(C#N)CCCOC1)CC(=O)[O-]	ZINC000923072207	640016078	/nfs/dbraw/zinc/01/60/78/640016078.db2.gz	ZWLARBMIKFEBOG-BXKDBHETSA-N	-1	0	254.286	0.534	20	30		CCEDRM
C[C@@H](CCC(=O)[O-])NC(=O)[C@]1(C#N)CCCOC1	ZINC000923070808	640016942	/nfs/dbraw/zinc/01/69/42/640016942.db2.gz	XFTNOGUSOHMUHM-CABZTGNLSA-N	-1	0	254.286	0.676	20	30		CCEDRM
C[C@@H]1CN(C(=O)[C@]2(C#N)CCCOC2)C[C@H](C(=O)[O-])O1	ZINC000923086166	640018939	/nfs/dbraw/zinc/01/89/39/640018939.db2.gz	KLTZFCHUAADPKK-BREBYQMCSA-N	-1	0	282.296	0.007	20	30		CCEDRM
N#CCn1cc([N-]S(=O)(=O)c2ccc(C#N)o2)cn1	ZINC000808085623	640847231	/nfs/dbraw/zinc/84/72/31/640847231.db2.gz	OXFBCDGKJVRLPE-UHFFFAOYSA-N	-1	0	277.265	0.672	20	30		CCEDRM
CC#CCS(=O)(=O)[N-]C(=O)C1(OC)CCCC1	ZINC000810774219	640949340	/nfs/dbraw/zinc/94/93/40/640949340.db2.gz	VATTZHKUATUMDD-UHFFFAOYSA-N	-1	0	259.327	0.415	20	30		CCEDRM
CC#CCS(=O)(=O)[N-]C(=O)c1cccc([S@](C)=O)c1	ZINC000810776760	640949468	/nfs/dbraw/zinc/94/94/68/640949468.db2.gz	HGQVPEVPRFRZRY-SFHVURJKSA-N	-1	0	299.373	0.507	20	30		CCEDRM
CC#CCS(=O)(=O)[N-]C(=O)c1ccn(C(F)F)n1	ZINC000810776237	640949560	/nfs/dbraw/zinc/94/95/60/640949560.db2.gz	LCMKVHMEYSPHTF-UHFFFAOYSA-N	-1	0	277.252	0.361	20	30		CCEDRM
Cc1cn2c(C=Nn3c(=O)[n-][nH]c3=O)c(C)nc2s1	ZINC000814231571	641061368	/nfs/dbraw/zinc/06/13/68/641061368.db2.gz	JGZGOWVAIHKIGU-UHFFFAOYSA-N	-1	0	278.297	0.898	20	30		CCEDRM
C[C@@H]1C(=NN[C@@H]2CCS(=O)(=O)C2)CC[C@@H]1CC(=O)[O-]	ZINC000814680176	641072507	/nfs/dbraw/zinc/07/25/07/641072507.db2.gz	DLKBDBGKJGOXKS-IVZWLZJFSA-N	-1	0	288.369	0.640	20	30		CCEDRM
Cn1nncc1NN=Cc1ccccc1OCC(=O)[O-]	ZINC000814981201	641087294	/nfs/dbraw/zinc/08/72/94/641087294.db2.gz	YMMAXQDMBUBKGF-UHFFFAOYSA-N	-1	0	275.268	0.725	20	30		CCEDRM
N#CC1(CC(=O)[N-]S(=O)(=O)C[C@@H]2CCCO2)CC1	ZINC000816011442	641136159	/nfs/dbraw/zinc/13/61/59/641136159.db2.gz	PBQNLGFDRSUSAJ-VIFPVBQESA-N	-1	0	272.326	0.305	20	30		CCEDRM
O=C(N[C@H]1CCN(O)C1=O)[C@@H]1CC2CCC1CC2	ZINC000820138316	641469652	/nfs/dbraw/zinc/46/96/52/641469652.db2.gz	YMQVMVKPJQOEBP-LXKPXOPUSA-N	-1	0	252.314	0.919	20	30		CCEDRM
N#CCCS(=O)(=O)[N-]C(=O)c1cccc(F)c1	ZINC000821583715	641611589	/nfs/dbraw/zinc/61/15/89/641611589.db2.gz	DULGZJUIMUBMJV-UHFFFAOYSA-N	-1	0	256.258	0.799	20	30		CCEDRM
N#CCCS(=O)(=O)[N-]C(=O)c1ccccc1[N+](=O)[O-]	ZINC000821582817	641611692	/nfs/dbraw/zinc/61/16/92/641611692.db2.gz	YIWNKUSLIYLFIT-UHFFFAOYSA-N	-1	0	283.265	0.568	20	30		CCEDRM
C[C@H](CC#N)N(C)C(=O)CN1CCC(NC(=O)[O-])CC1	ZINC000824543647	641831480	/nfs/dbraw/zinc/83/14/80/641831480.db2.gz	KBNJRMCMHIEGNX-SNVBAGLBSA-N	-1	0	282.344	0.479	20	30		CCEDRM
C[C@H](CC(=O)N[C@]1(C#N)CCSC1)NC(=O)[O-]	ZINC000824615200	641834795	/nfs/dbraw/zinc/83/47/95/641834795.db2.gz	RRXZHMXBTQRHNH-XCBNKYQSSA-N	-1	0	257.315	0.548	20	30		CCEDRM
C#CCN1CCN(C(=O)c2cccc([O-])c2[N+](=O)[O-])CC1	ZINC000825285704	641879261	/nfs/dbraw/zinc/87/92/61/641879261.db2.gz	FLXXIIZHHSTMCF-UHFFFAOYSA-N	-1	0	289.291	0.691	20	30		CCEDRM
C#CCO[C@@H](C)C(=O)[N-]S(=O)(=O)c1cccc(OC)c1	ZINC000835116668	642649201	/nfs/dbraw/zinc/64/92/01/642649201.db2.gz	GCJNKKYZMVVSFP-JTQLQIEISA-N	-1	0	297.332	0.538	20	30		CCEDRM
Cn1c(C#N)ccc1C(=O)[N-]S(=O)(=O)CC1CCC1	ZINC000835247703	642653979	/nfs/dbraw/zinc/65/39/79/642653979.db2.gz	GZILLTQPCLGRLC-UHFFFAOYSA-N	-1	0	281.337	0.756	20	30		CCEDRM
N#Cc1ccc(S(=O)(=O)NC[C@@H](F)C(=O)[O-])s1	ZINC000837294824	642736486	/nfs/dbraw/zinc/73/64/86/642736486.db2.gz	NLLVBLCWKXKIEM-ZCFIWIBFSA-N	-1	0	278.286	0.321	20	30		CCEDRM
O=C([O-])COc1ccc(C=NN2CCC[C@H]2CO)cc1	ZINC000841663778	642829131	/nfs/dbraw/zinc/82/91/31/642829131.db2.gz	XSWONAPHHZUWPI-LBPRGKRZSA-N	-1	0	278.308	0.941	20	30		CCEDRM
C[C@@H](CO)N(C)N=Cc1ccc([O-])c([N+](=O)[O-])c1	ZINC000842544282	642910817	/nfs/dbraw/zinc/91/08/17/642910817.db2.gz	GUVPYBCFGKASTI-QMMMGPOBSA-N	-1	0	253.258	0.947	20	30		CCEDRM
O=C([O-])C#CC1CCN(S(=O)(=O)c2ccco2)CC1	ZINC000844816511	643249397	/nfs/dbraw/zinc/24/93/97/643249397.db2.gz	MHRYXOQMGFJZOC-UHFFFAOYSA-N	-1	0	283.305	0.768	20	30		CCEDRM
C[C@H](CC#N)N(C)S(=O)(=O)N[C@H](CC1CC1)C(=O)[O-]	ZINC000844801210	643249416	/nfs/dbraw/zinc/24/94/16/643249416.db2.gz	NMKKYXBKDXHKFF-PSASIEDQSA-N	-1	0	289.357	0.308	20	30		CCEDRM
N#CCCNS(=O)(=O)c1cccc(CC(=O)[O-])c1	ZINC000844887902	643253598	/nfs/dbraw/zinc/25/35/98/643253598.db2.gz	QLFQUOPFTZZHFV-UHFFFAOYSA-N	-1	0	268.294	0.506	20	30		CCEDRM
O=C([O-])Cn1cc(C(=O)/C=C/c2cc3n(n2)CCC3)nn1	ZINC000849250830	643722025	/nfs/dbraw/zinc/72/20/25/643722025.db2.gz	WLBODYHVKIYILU-ONEGZZNKSA-N	-1	0	287.279	0.402	20	30		CCEDRM
N#CC1(CS(=O)(=O)[N-]C(=O)CCCF)CCC1	ZINC000850959932	643824196	/nfs/dbraw/zinc/82/41/96/643824196.db2.gz	BQNRSFBXHDSILO-UHFFFAOYSA-N	-1	0	262.306	0.876	20	30		CCEDRM
N#C[C@@H](CO)[N-]C(=O)C(F)(F)c1ccc([N+](=O)[O-])cc1	ZINC000854871527	644268736	/nfs/dbraw/zinc/26/87/36/644268736.db2.gz	YMNOLITUGNWEEN-QMMMGPOBSA-N	-1	0	285.206	0.687	20	30		CCEDRM
N#Cc1ccc([O-])c(NC(=O)[C@H]2CCOC(=O)N2)c1	ZINC000860445289	644801895	/nfs/dbraw/zinc/80/18/95/644801895.db2.gz	PQFCAVDRJIKLJP-MRVPVSSYSA-N	-1	0	261.237	0.701	20	30		CCEDRM
C[C@H](CC(=O)[N-]S(=O)(=O)CCC#N)C(F)(F)F	ZINC000860751946	644826841	/nfs/dbraw/zinc/82/68/41/644826841.db2.gz	IGOGIMNPPNKXAY-ZCFIWIBFSA-N	-1	0	272.248	0.935	20	30		CCEDRM
C[C@@H]1C(=Nn2ccc(=O)[nH]c2=O)CC[C@@H]1CC(=O)[O-]	ZINC000863182373	645067998	/nfs/dbraw/zinc/06/79/98/645067998.db2.gz	JHRZJDHHUJSVRG-JGVFFNPUSA-N	-1	0	265.269	0.674	20	30		CCEDRM
N#Cc1nc(NC(=O)c2ccc([N+](=O)[O-])o2)[n-]c1C#N	ZINC000864048539	645153385	/nfs/dbraw/zinc/15/33/85/645153385.db2.gz	WAIVXHFFJKKCEQ-UHFFFAOYSA-N	-1	0	272.180	0.907	20	30		CCEDRM
C[C@@]1([N-]C(=O)C(F)(F)F)CCN(c2cc(C#N)ncn2)C1	ZINC000866282483	645513638	/nfs/dbraw/zinc/51/36/38/645513638.db2.gz	KROPYYJMNHRVKX-LLVKDONJSA-N	-1	0	299.256	0.996	20	30		CCEDRM
CC#CCS(=O)(=O)[N-]C(=O)C1(C(F)F)CCC1	ZINC000870331013	645983086	/nfs/dbraw/zinc/98/30/86/645983086.db2.gz	YQPRZPLQHIJZCB-UHFFFAOYSA-N	-1	0	265.281	0.891	20	30		CCEDRM
CC#CCS(=O)(=O)[N-]C(=O)c1ncccc1OC	ZINC000870330920	645983807	/nfs/dbraw/zinc/98/38/07/645983807.db2.gz	XOBSYVPQERICOO-UHFFFAOYSA-N	-1	0	268.294	0.173	20	30		CCEDRM
N#Cc1cccc(O[N-]C(=O)CN2CSCC2=O)c1	ZINC000870693406	646017663	/nfs/dbraw/zinc/01/76/63/646017663.db2.gz	GVXLXDYTMRXPFT-UHFFFAOYSA-N	-1	0	277.305	0.501	20	30		CCEDRM
Cn1[n-]c(C(=O)N[C@@H](CC#N)C(F)(F)F)cc1=O	ZINC000928801358	648662067	/nfs/dbraw/zinc/66/20/67/648662067.db2.gz	AENPKVVUMMHMKB-LURJTMIESA-N	-1	0	262.191	0.700	20	30		CCEDRM
COCCCNC(=O)C(C#N)=C([O-])c1cc(C2CC2)[nH]n1	ZINC000193361483	649534735	/nfs/dbraw/zinc/53/47/35/649534735.db2.gz	OAFGSPJKONMRSU-SNVBAGLBSA-N	-1	0	290.323	0.762	20	30		CCEDRM
C#CCN(CC(=O)[O-])S(=O)(=O)c1ccc(OC)cc1	ZINC000092479776	649724240	/nfs/dbraw/zinc/72/42/40/649724240.db2.gz	PDLBZKMFTKDGAR-UHFFFAOYSA-N	-1	0	283.305	0.404	20	30		CCEDRM
C[C@@](C#N)(CC(=O)[O-])C(=O)NC[C@H](O)C1CCC1	ZINC001588539136	958950798	/nfs/dbraw/zinc/95/07/98/958950798.db2.gz	ZOUMKNMWZKIJRH-CABZTGNLSA-N	-1	0	254.286	0.268	20	30		CCEDRM
Cc1cc(Cl)c(C#N)c(OC(=O)[C@H](O)CC(=O)[O-])n1	ZINC001230183380	805585114	/nfs/dbraw/zinc/58/51/14/805585114.db2.gz	MNVZMOIFGWWVBD-MRVPVSSYSA-N	-1	0	284.655	0.656	20	30		CCEDRM
CC(C)(C)OC(=O)N1C[C@H](C#N)[C@H](Oc2n[nH]c(=O)[n-]2)C1	ZINC001231300264	805771752	/nfs/dbraw/zinc/77/17/52/805771752.db2.gz	CPELRIHJPGFSDD-JGVFFNPUSA-N	-1	0	295.299	0.648	20	30		CCEDRM
CC(C)(C)OC(=O)N1C[C@H](C#N)[C@@H](Oc2n[nH]c(=O)[n-]2)C1	ZINC001231300266	805772116	/nfs/dbraw/zinc/77/21/16/805772116.db2.gz	CPELRIHJPGFSDD-YUMQZZPRSA-N	-1	0	295.299	0.648	20	30		CCEDRM
N#Cc1cccc(Cl)c1OC(=O)[C@@H](O)CC(=O)[O-]	ZINC001233547770	806077258	/nfs/dbraw/zinc/07/72/58/806077258.db2.gz	OJNWHPCFNXXCHJ-QMMMGPOBSA-N	-1	0	269.640	0.953	20	30		CCEDRM
Cc1cc(NC(=N[O-])c2nonc2N)ccc1CO	ZINC001211570746	791716356	/nfs/dbraw/zinc/71/63/56/791716356.db2.gz	PRBGETYHMDHXOA-UHFFFAOYSA-N	-1	0	263.257	0.700	20	30		CCEDRM
N#Cc1cc(O)cc(OC(=O)[C@@H](O)CC(=O)[O-])c1	ZINC001234140929	806188782	/nfs/dbraw/zinc/18/87/82/806188782.db2.gz	MAHPUTPFZPBEJT-VIFPVBQESA-N	-1	0	251.194	0.005	20	30		CCEDRM
CC(C)C#CC(=O)N(C)C[C@H]1CCN1Cc1n[nH]c(=O)[n-]1	ZINC001234162579	806194016	/nfs/dbraw/zinc/19/40/16/806194016.db2.gz	UDTFOVRLUXHXQF-LLVKDONJSA-N	-1	0	291.355	0.202	20	30		CCEDRM
CC[C@@H](O)C(=O)Oc1[n-]c(=O)nc2ccc(C#N)cc21	ZINC001234529783	806267426	/nfs/dbraw/zinc/26/74/26/806267426.db2.gz	FSFBCSXARMQGAA-SNVBAGLBSA-N	-1	0	273.248	0.883	20	30		CCEDRM
C=CCn1c(-c2cc(=O)[nH][n-]2)nnc1N1CC[C@@H](C)[C@H]1C	ZINC001121561371	799057120	/nfs/dbraw/zinc/05/71/20/799057120.db2.gz	AYVWBFLZMDUPDJ-NXEZZACHSA-N	-1	0	288.355	0.923	20	30		CCEDRM
C=CC[C@H](CO)CNC(=O)NC[C@@H](CC)C(=O)[O-]	ZINC001121917446	799092724	/nfs/dbraw/zinc/09/27/24/799092724.db2.gz	KJBLJTOPCTXOEC-VHSXEESVSA-N	-1	0	258.318	0.581	20	30		CCEDRM
COCCCNC(=O)C(C#N)=C([O-])c1cnn2c1CCC2	ZINC001122441786	799235235	/nfs/dbraw/zinc/23/52/35/799235235.db2.gz	HBBYOFJOAOXZNX-SNVBAGLBSA-N	-1	0	290.323	0.304	20	30		CCEDRM
C[C@@H](C(=O)C(C#N)=C([O-])c1nccn1C)c1cnn(C)c1	ZINC001122631927	799277792	/nfs/dbraw/zinc/27/77/92/799277792.db2.gz	LAFJUADYSSVYBC-MWLCHTKSSA-N	-1	0	285.307	0.849	20	30		CCEDRM
C#CC[C@H](NC(=O)c1ccn(CC(F)(F)F)n1)C(=O)[O-]	ZINC001123385781	799403777	/nfs/dbraw/zinc/40/37/77/799403777.db2.gz	VKHTYZTYYPINID-QMMMGPOBSA-N	-1	0	289.213	0.652	20	30		CCEDRM
N#CCSCC(=O)N1CCC[C@@H](Cc2nnn[n-]2)C1	ZINC001123914342	799503470	/nfs/dbraw/zinc/50/34/70/799503470.db2.gz	NZPVDYUVEZTNFD-VIFPVBQESA-N	-1	0	280.357	0.238	20	30		CCEDRM
C=C[C@@H]1OCCC[C@H]1NC(=O)CCCn1c(=O)[n-][nH]c1=O	ZINC001141168695	799986163	/nfs/dbraw/zinc/98/61/63/799986163.db2.gz	XZPBYGBIIMSWRV-ZJUUUORDSA-N	-1	0	296.327	0.319	20	30		CCEDRM
COC(=O)c1cc(C)c(C(=O)N[C@@H]2CCCN(O)C2=O)o1	ZINC001141464044	800009584	/nfs/dbraw/zinc/00/95/84/800009584.db2.gz	XIIFTKSZTUQTDR-MRVPVSSYSA-N	-1	0	296.279	0.485	20	30		CCEDRM
C#CCNC(=O)c1sc(C(=O)[O-])c2c1OCCO2	ZINC001152707596	800550067	/nfs/dbraw/zinc/55/00/67/800550067.db2.gz	FNGBRDBWVJHZMF-UHFFFAOYSA-N	-1	0	267.262	0.581	20	30		CCEDRM
C=CCN1CCN(C(=O)c2c[n-]c3cccnc3c2=O)CC1	ZINC001153855554	800679012	/nfs/dbraw/zinc/67/90/12/800679012.db2.gz	HRFMESDVYOGTQQ-UHFFFAOYSA-N	-1	0	298.346	0.867	20	30		CCEDRM
N#Cc1cc2cccnc2nc1NCc1n[nH]c(=O)[n-]1	ZINC001162716930	802404922	/nfs/dbraw/zinc/40/49/22/802404922.db2.gz	BAVQVCXUNSKLMD-UHFFFAOYSA-N	-1	0	267.252	0.937	20	30		CCEDRM
N#Cc1ccc(NCC[N-]C(=O)C(F)(F)F)nn1	ZINC001164236549	802693078	/nfs/dbraw/zinc/69/30/78/802693078.db2.gz	KMQPDKNXDMQDGL-UHFFFAOYSA-N	-1	0	259.191	0.439	20	30		CCEDRM
CO[N-]C(=O)CNC(=O)Nc1cc(C#N)ccc1F	ZINC001206062038	803200608	/nfs/dbraw/zinc/20/06/08/803200608.db2.gz	OOFGMCPLWGFNGL-UHFFFAOYSA-N	-1	0	266.232	0.496	20	30		CCEDRM
Cn1ncc(C#N)c1[N-]S(=O)(=O)C[C@H]1CCCO1	ZINC000093342354	814940283	/nfs/dbraw/zinc/94/02/83/814940283.db2.gz	QGHNSLIWMXASIA-SECBINFHSA-N	-1	0	270.314	0.212	20	30		CCEDRM
CCOCCS(=O)(=O)[N-]c1c(C#N)cnn1C	ZINC000093342299	814940522	/nfs/dbraw/zinc/94/05/22/814940522.db2.gz	LRYZYGMKZCXOAF-UHFFFAOYSA-N	-1	0	258.303	0.070	20	30		CCEDRM
N#Cc1ccc([N-]S(=O)(=O)c2cc(N)ccc2N)cn1	ZINC001209677865	803622076	/nfs/dbraw/zinc/62/20/76/803622076.db2.gz	JHUQXFQEEVJHLN-UHFFFAOYSA-N	-1	0	289.320	0.918	20	30		CCEDRM
COc1ccc(NC(=N[O-])c2nonc2N)cc1C#N	ZINC001214993416	803769914	/nfs/dbraw/zinc/76/99/14/803769914.db2.gz	FDYDHMPIAFSTGW-UHFFFAOYSA-N	-1	0	274.240	0.780	20	30		CCEDRM
C=C(C)COCCNS(=O)(=O)[C@@H]1CCC[C@@H]1C(=O)[O-]	ZINC001465107965	804094378	/nfs/dbraw/zinc/09/43/78/804094378.db2.gz	WESWQRMDLXNWLK-WDEREUQCSA-N	-1	0	291.369	0.752	20	30		CCEDRM
C=CCOC[C@@H](CS(=O)(=O)[O-])OCc1cocn1	ZINC001223136416	804956584	/nfs/dbraw/zinc/95/65/84/804956584.db2.gz	VOUSKZXRCAKBBF-JTQLQIEISA-N	-1	0	277.298	0.650	20	30		CCEDRM
C=CCOC[C@H](CS(=O)(=O)[O-])OCCC1OCCO1	ZINC001224499717	805043156	/nfs/dbraw/zinc/04/31/56/805043156.db2.gz	SMGFMHYEJSHQGA-SNVBAGLBSA-N	-1	0	296.341	0.225	20	30		CCEDRM
C[Si](C)(C)C#CCOC(=O)[C@H](O)CCC(=O)[O-]	ZINC001224616945	805062969	/nfs/dbraw/zinc/06/29/69/805062969.db2.gz	ZXYOKONQIFRPFR-SECBINFHSA-N	-1	0	258.346	0.636	20	30		CCEDRM
N#CCN1CC[C@@H](Oc2nc(Cl)cc(=O)[n-]2)C1	ZINC001225562189	805139747	/nfs/dbraw/zinc/13/97/47/805139747.db2.gz	FRIOWMFLZIPZRB-SSDOTTSWSA-N	-1	0	254.677	0.812	20	30		CCEDRM
N#Cc1cc(OC(=O)[C@@H](O)CC(=O)[O-])ccc1F	ZINC001225820904	805165926	/nfs/dbraw/zinc/16/59/26/805165926.db2.gz	SZIOOQSHVJTMOX-VIFPVBQESA-N	-1	0	253.185	0.438	20	30		CCEDRM
C=CCOC[C@H](CS(=O)(=O)[O-])OCC(=O)CC	ZINC001204870805	815056166	/nfs/dbraw/zinc/05/61/66/815056166.db2.gz	MYGGOKZJCIUPGA-SNVBAGLBSA-N	-1	0	266.315	0.441	20	30		CCEDRM
Cc1cc(=O)[n-]c(OC[C@H]2COC(=O)O2)c1C#N	ZINC001226220807	805206607	/nfs/dbraw/zinc/20/66/07/805206607.db2.gz	BSZJAJUHBOKOGQ-ZETCQYMHSA-N	-1	0	250.210	0.882	20	30		CCEDRM
CC(C)c1ccc(C#N)c(OC(=O)[C@H](O)CC(=O)[O-])n1	ZINC001226357276	805222993	/nfs/dbraw/zinc/22/29/93/805222993.db2.gz	XTSIELPJUDLVEM-SNVBAGLBSA-N	-1	0	278.264	0.818	20	30		CCEDRM
N#Cc1ccc(OC(=O)[C@@H](O)CC(=O)[O-])cc1Cl	ZINC001227204415	805331870	/nfs/dbraw/zinc/33/18/70/805331870.db2.gz	JIILECONYVCTBV-VIFPVBQESA-N	-1	0	269.640	0.953	20	30		CCEDRM
C[C@H](C#C[Si](C)(C)C)Oc1nc(=O)[n-]c(=O)[nH]1	ZINC001227571676	805368780	/nfs/dbraw/zinc/36/87/80/805368780.db2.gz	XVKKTYQYYYCQRY-SSDOTTSWSA-N	-1	0	253.334	0.931	20	30		CCEDRM
N#Cc1cc(F)c(OC(=O)[C@H](O)CC(=O)[O-])c(F)c1	ZINC001228075974	805412979	/nfs/dbraw/zinc/41/29/79/805412979.db2.gz	GKIXOGCGYBTKKS-MRVPVSSYSA-N	-1	0	271.175	0.577	20	30		CCEDRM
CC(=O)OC[C@@H](COc1[n-]c(=O)ccc1C#N)OC(C)=O	ZINC001228897982	805487704	/nfs/dbraw/zinc/48/77/04/805487704.db2.gz	AKNOZBOXUDCPRQ-NSHDSACASA-N	-1	0	294.263	0.532	20	30		CCEDRM
N#Cc1ccc(NC(=S)NCS(=O)(=O)[O-])cc1	ZINC001245941750	807103077	/nfs/dbraw/zinc/10/30/77/807103077.db2.gz	RLSSHHUZSQTYMD-UHFFFAOYSA-N	-1	0	271.323	0.690	20	30		CCEDRM
CN(C)S(=O)(=O)[N-]c1cc(Cl)cnc1C#N	ZINC001251058838	807659357	/nfs/dbraw/zinc/65/93/57/807659357.db2.gz	URFLOKMNZJSEFG-UHFFFAOYSA-N	-1	0	260.706	0.825	20	30		CCEDRM
CC(=O)c1ccc([N-]S(=O)(=O)N(C)C)c(C#N)c1	ZINC001251094946	807663735	/nfs/dbraw/zinc/66/37/35/807663735.db2.gz	UFWOAFJGBQTYAW-UHFFFAOYSA-N	-1	0	267.310	0.979	20	30		CCEDRM
Cn1cnc(C#N)c1[N-]S(=O)(=O)CC(F)(F)F	ZINC001253123687	808007135	/nfs/dbraw/zinc/00/71/35/808007135.db2.gz	ITIAHEXODQYWFH-UHFFFAOYSA-N	-1	0	268.220	0.596	20	30		CCEDRM
Cn1cnc(S(=O)(=O)[N-]c2ccc(C#N)cc2C#N)c1	ZINC001259000197	808711704	/nfs/dbraw/zinc/71/17/04/808711704.db2.gz	RNPZTYDFFJKJPP-UHFFFAOYSA-N	-1	0	287.304	0.964	20	30		CCEDRM
COC(=O)CS(=O)(=O)[N-]c1cc(C)ccc1C#N	ZINC001259017337	808716896	/nfs/dbraw/zinc/71/68/96/808716896.db2.gz	RDDDJMRPQYSWHH-UHFFFAOYSA-N	-1	0	268.294	0.781	20	30		CCEDRM
COC(=O)CS(=O)(=O)[N-]c1cc(F)c(C)cc1C#N	ZINC001259026768	808724133	/nfs/dbraw/zinc/72/41/33/808724133.db2.gz	CHYLXCPPZBGOSM-UHFFFAOYSA-N	-1	0	286.284	0.921	20	30		CCEDRM
COCCS(=O)(=O)[N-]c1cc(Cl)cnc1C#N	ZINC001259966837	808830770	/nfs/dbraw/zinc/83/07/70/808830770.db2.gz	ZJFGNVHJLXDLCB-UHFFFAOYSA-N	-1	0	275.717	0.995	20	30		CCEDRM
C[C@@H](C#N)N(C)S(=O)(=O)c1cccc(C(=O)[O-])c1	ZINC001260188715	808855613	/nfs/dbraw/zinc/85/56/13/808855613.db2.gz	PIPIZHQOWWOOHJ-QMMMGPOBSA-N	-1	0	268.294	0.917	20	30		CCEDRM
Cc1n[nH]c(C)c1S(=O)(=O)[N-]c1ccnc(C#N)c1	ZINC001261023986	808898025	/nfs/dbraw/zinc/89/80/25/808898025.db2.gz	XVETZUWMOYKANO-UHFFFAOYSA-N	-1	0	277.309	0.516	20	30		CCEDRM
N#CCCn1ccc(NC(=O)C(=O)[N-]OCC2CCC2)n1	ZINC001261629327	809035023	/nfs/dbraw/zinc/03/50/23/809035023.db2.gz	BLWZRTIOTDHJFU-UHFFFAOYSA-N	-1	0	291.311	0.583	20	30		CCEDRM
C=CC[C@@H](NC(=O)Cc1cnn2c1CCCC2)C(=O)[O-]	ZINC001262176999	809222777	/nfs/dbraw/zinc/22/27/77/809222777.db2.gz	GYOKTUFWGDMASB-LLVKDONJSA-N	-1	0	277.324	0.907	20	30		CCEDRM
C=CC[C@@H](NC(=O)CCc1cnn(C)c1C)C(=O)[O-]	ZINC001262177586	809223359	/nfs/dbraw/zinc/22/33/59/809223359.db2.gz	ZUMRELAVUUROLP-LLVKDONJSA-N	-1	0	265.313	0.807	20	30		CCEDRM
C=CC[C@@H](NC(=O)C1CCN(OC)CC1)C(=O)[O-]	ZINC001262177220	809223372	/nfs/dbraw/zinc/22/33/72/809223372.db2.gz	OMMQMDVKGAXESK-SNVBAGLBSA-N	-1	0	256.302	0.405	20	30		CCEDRM
CC[C@H]1CCCCN1c1[n-]c(=O)n(C)c(=O)c1C#N	ZINC001262675468	809391550	/nfs/dbraw/zinc/39/15/50/809391550.db2.gz	OIJLAQRTMNEHAN-VIFPVBQESA-N	-1	0	262.313	0.714	20	30		CCEDRM
Cn1c(=O)[n-]c(N2CC[C@H](C3CC3)C2)c(C#N)c1=O	ZINC001262688971	809395272	/nfs/dbraw/zinc/39/52/72/809395272.db2.gz	KGOVNOINBZJQBW-VIFPVBQESA-N	-1	0	260.297	0.182	20	30		CCEDRM
C#C[C@H]1CCCN(c2nnc(Cc3nn[nH]n3)n2CC)C1	ZINC001263015079	809426440	/nfs/dbraw/zinc/42/64/40/809426440.db2.gz	BLAJBZHPASZRHB-JTQLQIEISA-N	-1	0	286.343	0.252	20	30		CCEDRM
Cn1ccnc1C([O-])=C(C#N)C(=O)CCc1ncccn1	ZINC001263382543	809515048	/nfs/dbraw/zinc/51/50/48/809515048.db2.gz	ABBZZTSCUKDPRG-JTQLQIEISA-N	-1	0	283.291	0.734	20	30		CCEDRM
C#CCO[C@@H](C)C(=O)N[C@@H]1CCC[C@H]1CC(=O)[O-]	ZINC001263634425	809545275	/nfs/dbraw/zinc/54/52/75/809545275.db2.gz	DDVRZRYPWCJDKZ-GARJFASQSA-N	-1	0	253.298	0.784	20	30		CCEDRM
C=CCOCC(COCC=C)OCC[P@](=O)([O-])O	ZINC001224605842	815321341	/nfs/dbraw/zinc/32/13/41/815321341.db2.gz	KQYUFVDKIPSXSB-UHFFFAOYSA-N	-1	0	280.257	0.955	20	30		CCEDRM
CN(C(=O)COc1ccccc1C#N)c1nnn[n-]1	ZINC001279180975	809971498	/nfs/dbraw/zinc/97/14/98/809971498.db2.gz	RRYQCSXHABQZAA-UHFFFAOYSA-N	-1	0	258.241	0.113	20	30		CCEDRM
C#CC[C@@H](NC(=O)CCc1c(C)nn(C)c1C)C(=O)[O-]	ZINC000149650775	811484843	/nfs/dbraw/zinc/48/48/43/811484843.db2.gz	FSQOMRQSDVLESM-GFCCVEGCSA-N	-1	0	277.324	0.562	20	30		CCEDRM
N#CC1CCN(C(=O)N[C@H]2C[C@H](C(=O)[O-])C2)CC1	ZINC000694619762	811490845	/nfs/dbraw/zinc/49/08/45/811490845.db2.gz	ZNOSFQCTICVWAX-MGCOHNPYSA-N	-1	0	251.286	0.795	20	30		CCEDRM
N#Cc1cnccc1[N-]S(=O)(=O)c1ccc(N)c(N)c1	ZINC001214015541	815567137	/nfs/dbraw/zinc/56/71/37/815567137.db2.gz	WSRSTZOJCBPXNR-UHFFFAOYSA-N	-1	0	289.320	0.340	20	30		CCEDRM
C=CCOC[C@@H](CS(=O)(=O)[O-])Oc1cccnn1	ZINC001225659334	813290918	/nfs/dbraw/zinc/29/09/18/813290918.db2.gz	CEPNMXZOVBYJLK-VIFPVBQESA-N	-1	0	274.298	0.314	20	30		CCEDRM
COc1ccc(S(=O)(=O)NCCC#N)cc1CC(=O)[O-]	ZINC000447146012	817519913	/nfs/dbraw/zinc/51/99/13/817519913.db2.gz	AMFSDKGASZBJGE-UHFFFAOYSA-N	-1	0	298.320	0.514	20	30		CCEDRM
COCC#CC(=O)N[C@@H](c1nnn[n-]1)c1ccccc1	ZINC001168693757	818093895	/nfs/dbraw/zinc/09/38/95/818093895.db2.gz	KOLSLWDLTINUEN-GFCCVEGCSA-N	-1	0	271.280	0.055	20	30		CCEDRM
C=C[C@H](C)O[N-]C(=O)C(=O)Nc1ccc(C2CC2)nn1	ZINC001118314366	820332805	/nfs/dbraw/zinc/33/28/05/820332805.db2.gz	XDMQJMYFCJOUQK-QMMMGPOBSA-N	-1	0	276.296	0.915	20	30		CCEDRM
N#CC1(CS(=O)(=O)[N-]C(=O)c2nccs2)CC1	ZINC000793211481	837408868	/nfs/dbraw/zinc/40/88/68/837408868.db2.gz	DABVEXZDGZUIOI-UHFFFAOYSA-N	-1	0	271.323	0.506	20	30		CCEDRM
C=C[C@@H](CO)NC(=O)COc1ccc(OCC(=O)[O-])cc1	ZINC001183911004	844118796	/nfs/dbraw/zinc/11/87/96/844118796.db2.gz	BIEPCTAYSOAXFZ-JTQLQIEISA-N	-1	0	295.291	0.192	20	30		CCEDRM
CC1(C)C(=O)NCCN1C(=O)CCC(=O)C1=CC=C[CH]1	ZINC001184243256	844187801	/nfs/dbraw/zinc/18/78/01/844187801.db2.gz	GHVWMSHJFWZBBT-UHFFFAOYSA-N	-1	0	275.328	0.773	20	30		CCEDRM
CCOC(=O)[C@H](C#N)NC(=O)CCC(=O)C1=CC=C[CH]1	ZINC001184246007	844188622	/nfs/dbraw/zinc/18/86/22/844188622.db2.gz	HVOHGXJPWCHRTH-NSHDSACASA-N	-1	0	275.284	0.608	20	30		CCEDRM
N#Cc1ccc(NC(=O)NCC[P@](=O)([O-])O)cc1	ZINC001184764613	844285511	/nfs/dbraw/zinc/28/55/11/844285511.db2.gz	PVSUBQDEGNCEDC-UHFFFAOYSA-N	-1	0	269.197	0.857	20	30		CCEDRM
C#CCCS(=O)(=O)[N-]C(=O)c1sccc1COC	ZINC000810782707	838401992	/nfs/dbraw/zinc/40/19/92/838401992.db2.gz	SUSMSICDEQMQOR-UHFFFAOYSA-N	-1	0	287.362	0.977	20	30		CCEDRM
CO[N-]C(=O)CNC(=O)/C=C\c1ccccc1C#N	ZINC001134634479	839031877	/nfs/dbraw/zinc/03/18/77/839031877.db2.gz	GKMJIUAHPJWBIP-SREVYHEPSA-N	-1	0	259.265	0.365	20	30		CCEDRM
COc1ccc(S(=O)(=O)N(C)[C@H](C)C#N)cc1C(=O)[O-]	ZINC001185299956	844399140	/nfs/dbraw/zinc/39/91/40/844399140.db2.gz	ORCUVHILOHBVJY-MRVPVSSYSA-N	-1	0	298.320	0.926	20	30		CCEDRM
C=CCCc1ccc(C(=O)NCc2n[nH]c(=O)[n-]2)c(=O)[nH]1	ZINC001185362532	844402666	/nfs/dbraw/zinc/40/26/66/844402666.db2.gz	GIKWYYBZEUUYJR-UHFFFAOYSA-N	-1	0	289.295	0.660	20	30		CCEDRM
N=C(Nc1cncc(C(=O)[O-])n1)c1ccc(C(N)=O)cc1	ZINC001171253000	840206697	/nfs/dbraw/zinc/20/66/97/840206697.db2.gz	CHSCSRPOPWHRLR-UHFFFAOYSA-N	-1	0	285.263	0.311	20	30		CCEDRM
C=CC[C@@H](NC(=O)NCCCn1cccn1)C(=O)[O-]	ZINC000127711435	840561445	/nfs/dbraw/zinc/56/14/45/840561445.db2.gz	VRVHWSXRJIROJH-SNVBAGLBSA-N	-1	0	266.301	0.602	20	30		CCEDRM
N#Cc1ccc(F)c(-c2noc(Cc3nn[nH]n3)n2)c1	ZINC001247141860	840764724	/nfs/dbraw/zinc/76/47/24/840764724.db2.gz	BSIULQGOEADLOJ-UHFFFAOYSA-N	-1	0	271.215	0.851	20	30		CCEDRM
C=C[C@](C)(O)CC(=O)N[C@@H](CCSC)c1nnn[n-]1	ZINC001148261359	840772164	/nfs/dbraw/zinc/77/21/64/840772164.db2.gz	RVHDNPVUPCJSOX-KWQFWETISA-N	-1	0	285.373	0.437	20	30		CCEDRM
N#Cc1cncc([N-]S(=O)(=O)c2ccco2)n1	ZINC001186813038	844604278	/nfs/dbraw/zinc/60/42/78/844604278.db2.gz	XUYYMPRVSDINHM-UHFFFAOYSA-N	-1	0	250.239	0.742	20	30		CCEDRM
Cn1ccc(C(=O)Nc2[nH]cnc2C#N)c1CC(=O)[O-]	ZINC001177363592	842565730	/nfs/dbraw/zinc/56/57/30/842565730.db2.gz	MVKVKYHLJKZMJU-UHFFFAOYSA-N	-1	0	273.252	0.499	20	30		CCEDRM
CC(C)C[C@H](C#N)NC(=O)Cn1nn[n-]c1=S	ZINC001177744149	842666512	/nfs/dbraw/zinc/66/65/12/842666512.db2.gz	VPLZVEZTPJOJOB-SSDOTTSWSA-N	-1	0	254.319	0.016	20	30		CCEDRM
CCc1ccc(C#CC(=O)N[C@H](COC)c2nnn[n-]2)cc1	ZINC001177828698	842674089	/nfs/dbraw/zinc/67/40/89/842674089.db2.gz	PPMGEHHMEZYWER-CYBMUJFWSA-N	-1	0	299.334	0.618	20	30		CCEDRM
CC(C)n1ncc(C#N)c1[N-]S(=O)(=O)c1c[nH]cn1	ZINC001187730305	844751742	/nfs/dbraw/zinc/75/17/42/844751742.db2.gz	DLDSXRKAGPKYIW-UHFFFAOYSA-N	-1	0	280.313	0.860	20	30		CCEDRM
COC(=O)CCS(=O)(=O)[N-]c1cc(C#N)ccn1	ZINC001188343758	844870041	/nfs/dbraw/zinc/87/00/41/844870041.db2.gz	NNCYNBBBCLSWED-UHFFFAOYSA-N	-1	0	269.282	0.258	20	30		CCEDRM
COC(=O)CCS(=O)(=O)[N-]c1cc(C)cnc1C#N	ZINC001188352472	844879808	/nfs/dbraw/zinc/87/98/08/844879808.db2.gz	ADEORWQGILUQFT-UHFFFAOYSA-N	-1	0	283.309	0.567	20	30		CCEDRM
N#Cc1c[n-]c(=O)n(Cc2ccc(Cl)nc2)c1=O	ZINC001189566800	845171517	/nfs/dbraw/zinc/17/15/17/845171517.db2.gz	FKDYFVPMOPWAFW-UHFFFAOYSA-N	-1	0	262.656	0.505	20	30		CCEDRM
COc1nc(S(=O)(=O)NCC2(C#N)CC2)ccc1F	ZINC001190117750	845338880	/nfs/dbraw/zinc/33/88/80/845338880.db2.gz	HDQYGGNJYUIXMW-UHFFFAOYSA-N	-1	0	285.300	0.811	20	30		CCEDRM
N#Cc1ccc(F)c(S(=O)(=O)NCCn2ccnn2)c1	ZINC001190607784	845443536	/nfs/dbraw/zinc/44/35/36/845443536.db2.gz	ARPYTFOTEAYNBZ-UHFFFAOYSA-N	-1	0	295.299	0.267	20	30		CCEDRM
Cc1cc([N-]S(=O)(=O)c2ncc[nH]2)cnc1C#N	ZINC001190691205	845468226	/nfs/dbraw/zinc/46/82/26/845468226.db2.gz	VWBVPWMPYKISMB-UHFFFAOYSA-N	-1	0	263.282	0.786	20	30		CCEDRM
O=S(=O)(NCC#Cc1ccccc1)c1ncc[n-]1	ZINC001190749309	845489124	/nfs/dbraw/zinc/48/91/24/845489124.db2.gz	YFTZRTACISIPCN-UHFFFAOYSA-N	-1	0	261.306	0.740	20	30		CCEDRM
Cn1cc([N-]S(=O)(=O)c2ccncc2)c(C#N)n1	ZINC001190855646	845523866	/nfs/dbraw/zinc/52/38/66/845523866.db2.gz	ODRJHCZVXQPHQY-UHFFFAOYSA-N	-1	0	263.282	0.488	20	30		CCEDRM
C=CCCCC(=O)N1CC[C@H](N(C)Cc2n[nH]c(=O)[n-]2)C1	ZINC001192092633	845782678	/nfs/dbraw/zinc/78/26/78/845782678.db2.gz	BFZJOUJIMQROLO-NSHDSACASA-N	-1	0	293.371	0.899	20	30		CCEDRM
COC(=O)[C@H](CCC(=O)[O-])NC(=O)c1ccc(C#N)o1	ZINC001192683141	845891844	/nfs/dbraw/zinc/89/18/44/845891844.db2.gz	GHSLNHNWSDMJOV-QMMMGPOBSA-N	-1	0	280.236	0.287	20	30		CCEDRM
COC(=O)c1cccc([N-]S(=O)(=O)CC#N)n1	ZINC001192935337	845941557	/nfs/dbraw/zinc/94/15/57/845941557.db2.gz	OKKUFLCZKTZLDY-UHFFFAOYSA-N	-1	0	255.255	0.133	20	30		CCEDRM
N#CCS(=O)(=O)[N-]c1cc(N2CCCCC2)ncn1	ZINC001192939559	845942950	/nfs/dbraw/zinc/94/29/50/845942950.db2.gz	TUXHENGSWJWCGP-UHFFFAOYSA-N	-1	0	281.341	0.732	20	30		CCEDRM
N#CCS(=O)(=O)[N-]c1csc(N2CCOCC2)n1	ZINC001192939228	845943142	/nfs/dbraw/zinc/94/31/42/845943142.db2.gz	LTAFNHOEQMHGSO-UHFFFAOYSA-N	-1	0	288.354	0.245	20	30		CCEDRM
N#CCS(=O)(=O)[N-]c1ccc(C(=O)CCCO)cc1	ZINC001192986259	845945550	/nfs/dbraw/zinc/94/55/50/845945550.db2.gz	VLARHLAKGDMJNO-UHFFFAOYSA-N	-1	0	282.321	0.907	20	30		CCEDRM
CN1CCc2cc([N-]S(=O)(=O)CC#N)ccc2C1=O	ZINC001192985796	845945567	/nfs/dbraw/zinc/94/55/67/845945567.db2.gz	OAFKMGZPJUZGGL-UHFFFAOYSA-N	-1	0	279.321	0.580	20	30		CCEDRM
N#CCS(=O)(=O)[N-]c1cc(F)ccc1OC1COC1	ZINC001192985383	845945717	/nfs/dbraw/zinc/94/57/17/845945717.db2.gz	CFEKTEVFGUEFSQ-UHFFFAOYSA-N	-1	0	286.284	0.869	20	30		CCEDRM
CS(=O)(=O)c1ccccc1[N-]S(=O)(=O)CC#N	ZINC001192972315	845956812	/nfs/dbraw/zinc/95/68/12/845956812.db2.gz	RZDKGKRIOSGEJZ-UHFFFAOYSA-N	-1	0	274.323	0.355	20	30		CCEDRM
N#CCS(=O)(=O)[N-]c1ccc2c(c1)CNC2=O	ZINC001192978822	845961159	/nfs/dbraw/zinc/96/11/59/845961159.db2.gz	IFOHSHMSJXUBIX-UHFFFAOYSA-N	-1	0	251.267	0.195	20	30		CCEDRM
COC(=O)c1c(F)cccc1[N-]S(=O)(=O)CC#N	ZINC001192978961	845961182	/nfs/dbraw/zinc/96/11/82/845961182.db2.gz	QKEDPGGKOFXMIT-UHFFFAOYSA-N	-1	0	272.257	0.878	20	30		CCEDRM
C[C@H](C#N)S(=O)(=O)[N-]c1cccn2ccnc12	ZINC001193104990	845978432	/nfs/dbraw/zinc/97/84/32/845978432.db2.gz	PVOANEWWCAGHJI-MRVPVSSYSA-N	-1	0	250.283	0.988	20	30		CCEDRM
C[C@H](C#N)S(=O)(=O)[N-]c1cc2n(n1)CCCO2	ZINC001193112373	845980523	/nfs/dbraw/zinc/98/05/23/845980523.db2.gz	SCWLRJMRYSABMC-SSDOTTSWSA-N	-1	0	256.287	0.319	20	30		CCEDRM
C[C@@H](C#N)S(=O)(=O)[N-]c1noc2cccnc12	ZINC001193095241	845993192	/nfs/dbraw/zinc/99/31/92/845993192.db2.gz	STTVBKOSPQISNE-LURJTMIESA-N	-1	0	252.255	0.877	20	30		CCEDRM
C[C@@H](C#N)S(=O)(=O)[N-]c1cccc2c1CNC(=O)N2C	ZINC001193157668	846008598	/nfs/dbraw/zinc/00/85/98/846008598.db2.gz	HKZAEDCFOGIVMQ-QMMMGPOBSA-N	-1	0	294.336	1.000	20	30		CCEDRM
COC(=O)[C@@H]([N-]S(=O)(=O)[C@H](C)C#N)c1ccncc1	ZINC001193182597	846025964	/nfs/dbraw/zinc/02/59/64/846025964.db2.gz	OYTRXRVHILVMTQ-SCZZXKLOSA-N	-1	0	283.309	0.127	20	30		CCEDRM
COC(=O)[C@H]([N-]S(=O)(=O)[C@@H](C)C#N)c1ccncc1	ZINC001193182598	846027794	/nfs/dbraw/zinc/02/77/94/846027794.db2.gz	OYTRXRVHILVMTQ-WCBMZHEXSA-N	-1	0	283.309	0.127	20	30		CCEDRM
C#Cc1cnc([N-]S(=O)(=O)CC2CCC2)c(C#C)n1	ZINC001193480208	846090750	/nfs/dbraw/zinc/09/07/50/846090750.db2.gz	YVCXPLXHBIDEHL-UHFFFAOYSA-N	-1	0	275.333	0.981	20	30		CCEDRM
CN(C)C(=O)CN(C)C(=O)c1ccc([O-])c(C#N)c1	ZINC001193503971	846100120	/nfs/dbraw/zinc/10/01/20/846100120.db2.gz	KVKDKSGCCHRLPY-UHFFFAOYSA-N	-1	0	261.281	0.424	20	30		CCEDRM
N#Cc1cc(C(=O)NCCc2cc[nH]n2)ccc1[O-]	ZINC001193512601	846103317	/nfs/dbraw/zinc/10/33/17/846103317.db2.gz	PJUUBAJEWUQTRL-UHFFFAOYSA-N	-1	0	256.265	0.959	20	30		CCEDRM
CN1C[C@@H](CNC(=O)c2ccc([O-])c(C#N)c2)CC1=O	ZINC001193514238	846103334	/nfs/dbraw/zinc/10/33/34/846103334.db2.gz	DJVTVLMHDVZWHP-SECBINFHSA-N	-1	0	273.292	0.472	20	30		CCEDRM
Cc1[nH][nH]c(=O)c1CCNC(=O)c1ccc([O-])c(C#N)c1	ZINC001193514192	846103410	/nfs/dbraw/zinc/10/34/10/846103410.db2.gz	DAQTZUUNCPRFAG-UHFFFAOYSA-N	-1	0	286.291	0.974	20	30		CCEDRM
Cn1ccnc1S(=O)(=O)[N-]c1ccc(C#N)cc1C#N	ZINC001193610728	846121529	/nfs/dbraw/zinc/12/15/29/846121529.db2.gz	UJFFRNUXQNGQEZ-UHFFFAOYSA-N	-1	0	287.304	0.964	20	30		CCEDRM
N#Cc1cccc(C(=O)N2CCS(=O)(=O)CC2)c1[O-]	ZINC001193642538	846135244	/nfs/dbraw/zinc/13/52/44/846135244.db2.gz	IERUELNPYUKYCH-UHFFFAOYSA-N	-1	0	280.305	0.134	20	30		CCEDRM
COc1ncccc1S(=O)(=O)[N-]c1nnccc1C#N	ZINC001194678865	846355341	/nfs/dbraw/zinc/35/53/41/846355341.db2.gz	GSSPRQNKMRCLSN-UHFFFAOYSA-N	-1	0	291.292	0.553	20	30		CCEDRM
Cn1c(=O)cc(NC(=O)c2ccc(C#N)cc2[O-])[nH]c1=O	ZINC001195763715	846611914	/nfs/dbraw/zinc/61/19/14/846611914.db2.gz	BKEFLDVSOHTFHU-UHFFFAOYSA-N	-1	0	286.247	0.315	20	30		CCEDRM
N#CCCN1CCN(C(=O)c2ccc(C#N)cc2[O-])CC1	ZINC001195741579	846618863	/nfs/dbraw/zinc/61/88/63/846618863.db2.gz	NPVXWROYBHTRBA-UHFFFAOYSA-N	-1	0	284.319	0.935	20	30		CCEDRM
C#C[C@@H](C)NC(=O)c1sccc1[N-]S(C)(=O)=O	ZINC001196740499	846796862	/nfs/dbraw/zinc/79/68/62/846796862.db2.gz	YEMMSJAUPVURGN-SSDOTTSWSA-N	-1	0	272.351	0.871	20	30		CCEDRM
Cc1nc(C#N)cnc1[N-]S(=O)(=O)Cc1ccccn1	ZINC001197789013	846963937	/nfs/dbraw/zinc/96/39/37/846963937.db2.gz	LEZRSEFPPZMZTF-UHFFFAOYSA-N	-1	0	289.320	0.994	20	30		CCEDRM
C[C@@H](C#N)NS(=O)(=O)c1ccccc1C(=O)[O-]	ZINC001198811065	847177653	/nfs/dbraw/zinc/17/76/53/847177653.db2.gz	VRXRBDWPSFNPCJ-ZETCQYMHSA-N	-1	0	254.267	0.575	20	30		CCEDRM
COC(=O)CCCS(=O)(=O)[N-]c1nnccc1C#N	ZINC001201904629	847831556	/nfs/dbraw/zinc/83/15/56/847831556.db2.gz	KWTBTHKWKMPCCP-UHFFFAOYSA-N	-1	0	284.297	0.043	20	30		CCEDRM
Cc1n[nH]c(C(=O)N[C@H]2CCCC[C@@H]2CNCC#N)c1[O-]	ZINC001275757875	848810353	/nfs/dbraw/zinc/81/03/53/848810353.db2.gz	RXHSXQZPOKPBAM-MNOVXSKESA-N	-1	0	291.355	0.826	20	30		CCEDRM
N#Cc1cc(C(=O)N2CC3(C[C@@H]3C(N)=O)C2)ccc1[O-]	ZINC001276156792	848942567	/nfs/dbraw/zinc/94/25/67/848942567.db2.gz	YZNZNRCOGQSHJO-SNVBAGLBSA-N	-1	0	271.276	0.211	20	30		CCEDRM
C=CCCC(C)(C)NC(=O)c1cn(CC(=O)[O-])nn1	ZINC000717958939	849213641	/nfs/dbraw/zinc/21/36/41/849213641.db2.gz	OEGNHJLDBBDPQQ-UHFFFAOYSA-N	-1	0	266.301	0.837	20	30		CCEDRM
C#CCC[C@@H](O)CNS(=O)(=O)c1cnc(C)s1	ZINC000717961087	849213765	/nfs/dbraw/zinc/21/37/65/849213765.db2.gz	VEWWPGFMDKCRSQ-SECBINFHSA-N	-1	0	274.367	0.504	20	30		CCEDRM
C=C[C@H](O)CNc1ccc2c(c1)S(=O)(=O)[N-]C2=O	ZINC001253592254	849583468	/nfs/dbraw/zinc/58/34/68/849583468.db2.gz	KZVUUGTVNBEEPZ-QMMMGPOBSA-N	-1	0	268.294	0.078	20	30		CCEDRM
C#CC[N@H+](C)CCCNC(=O)N1CCSC[C@H]1C(=O)[O-]	ZINC000380906688	849696607	/nfs/dbraw/zinc/69/66/07/849696607.db2.gz	IHTQWXXOEIKQPM-NSHDSACASA-N	-1	0	299.396	0.153	20	30		CCEDRM
C#CCN1CC[C@](C)(NC(=O)c2[nH]nc(C)c2[O-])C1	ZINC001046245861	851436161	/nfs/dbraw/zinc/43/61/61/851436161.db2.gz	FKCBCNSRJCSSHJ-ZDUSSCGKSA-N	-1	0	262.313	0.251	20	30		CCEDRM
C#CC[C@@H](NC(=O)CC[C@H]1CCCCO1)C(=O)[O-]	ZINC000149716122	853994192	/nfs/dbraw/zinc/99/41/92/853994192.db2.gz	ZGQGUZUCRLEKSV-GHMZBOCLSA-N	-1	0	253.298	0.928	20	30		CCEDRM
C=CCN(CC(=O)[O-])C(=O)NCc1nccn1CC	ZINC000395430977	854321092	/nfs/dbraw/zinc/32/10/92/854321092.db2.gz	FSIFMJRWZUHUHY-UHFFFAOYSA-N	-1	0	266.301	0.685	20	30		CCEDRM
CCOC(=O)c1cn(C)[n-]c1=NC(=O)NCCC#N	ZINC000488573099	854513943	/nfs/dbraw/zinc/51/39/43/854513943.db2.gz	AXGFEPGDZDGAQW-UHFFFAOYSA-N	-1	0	265.273	0.054	20	30		CCEDRM
C=CC[C@@H](NC(=O)Cc1nnn(C(C)(C)C)n1)C(=O)[O-]	ZINC001118483321	856309598	/nfs/dbraw/zinc/30/95/98/856309598.db2.gz	PLEQDJWFHOOFJJ-MRVPVSSYSA-N	-1	0	281.316	0.116	20	30		CCEDRM
C=CCO[C@@H]1CCN(C(=O)C2CC(C(=O)[O-])C2)C1	ZINC001119071134	856550069	/nfs/dbraw/zinc/55/00/69/856550069.db2.gz	WQMRDIZOAYSGND-VQXHTEKXSA-N	-1	0	253.298	0.901	20	30		CCEDRM
C=CC[C@H](NC(=O)NC[C@@H](C)CN1CCOCC1)C(=O)[O-]	ZINC001119577598	856750967	/nfs/dbraw/zinc/75/09/67/856750967.db2.gz	QSDOWNSKTANPLB-NEPJUHHUSA-N	-1	0	299.371	0.283	20	30		CCEDRM
C=CCO[C@@H]1CCN(C(=O)CCSCC(=O)[O-])C1	ZINC001119579724	856752405	/nfs/dbraw/zinc/75/24/05/856752405.db2.gz	FSEUDVSLHPVHPT-SNVBAGLBSA-N	-1	0	273.354	0.998	20	30		CCEDRM
C=CC[C@@H](NC(=O)c1cc(C)[nH]c(=O)c1)C(=O)[O-]	ZINC001119580518	856752491	/nfs/dbraw/zinc/75/24/91/856752491.db2.gz	NMZZSCHYYNAIEF-SECBINFHSA-N	-1	0	250.254	0.855	20	30		CCEDRM
C=CC[C@@H](NC(=O)[C@@H]1CCO[C@H]1C1CC1)C(=O)[O-]	ZINC001119581207	856755003	/nfs/dbraw/zinc/75/50/03/856755003.db2.gz	ZAUIPTOIZRAZNG-MXWKQRLJSA-N	-1	0	253.298	0.947	20	30		CCEDRM
N#Cc1cccc(C#N)c1N1CCO[C@@H](C(=O)[O-])C1	ZINC001325341041	913354307	/nfs/dbraw/zinc/35/43/07/913354307.db2.gz	DAFCISPKMDTNNV-LLVKDONJSA-N	-1	0	257.249	0.720	20	30		CCEDRM
C=CCCn1cc(C(=O)N[C@@H](CC=C)C(=O)[O-])nn1	ZINC001326178545	913801841	/nfs/dbraw/zinc/80/18/41/913801841.db2.gz	WAVDLCNTEQTMQV-VIFPVBQESA-N	-1	0	264.285	0.613	20	30		CCEDRM
CCc1cnn2cc([N-]S(=O)(=O)[C@H](C)C#N)cnc12	ZINC001193110662	900033296	/nfs/dbraw/zinc/03/32/96/900033296.db2.gz	AONFNYYFHZAEDW-MRVPVSSYSA-N	-1	0	279.325	0.945	20	30		CCEDRM
N#Cc1ccc(C(=O)N2CCC[C@@H](c3nnn[n-]3)C2)nc1	ZINC001411937943	901342920	/nfs/dbraw/zinc/34/29/20/901342920.db2.gz	NNJJDXWDJSHYHJ-SNVBAGLBSA-N	-1	0	283.295	0.486	20	30		CCEDRM
COc1cc(NC(=O)c2[n-]c(=O)c(C#N)cc2C)nn1C	ZINC001412035766	901421147	/nfs/dbraw/zinc/42/11/47/901421147.db2.gz	YDUKMEJWYYXMKR-UHFFFAOYSA-N	-1	0	287.279	0.962	20	30		CCEDRM
Cc1nc(C(=O)N2CCC(c3nnn[n-]3)CC2)ccc1C#N	ZINC001412486163	901760160	/nfs/dbraw/zinc/76/01/60/901760160.db2.gz	IWYZXSKQEJIADS-UHFFFAOYSA-N	-1	0	297.322	0.795	20	30		CCEDRM
N#C[C@H](CCc1ccccc1)C(=O)NCc1nc(=O)o[n-]1	ZINC001412726098	901990772	/nfs/dbraw/zinc/99/07/72/901990772.db2.gz	JQNCOUWEEAQGGI-NSHDSACASA-N	-1	0	286.291	0.752	20	30		CCEDRM
Cc1cc(C#N)c(=O)[n-]c1C(=O)NCCc1ccn(C)n1	ZINC001412798448	902132624	/nfs/dbraw/zinc/13/26/24/902132624.db2.gz	VNJLVPJVUCOXMZ-UHFFFAOYSA-N	-1	0	285.307	0.673	20	30		CCEDRM
Cn1c(=O)[n-]c(Nc2ccc3c(c2)CC(=O)N3)c(C#N)c1=O	ZINC001412869833	902318773	/nfs/dbraw/zinc/31/87/73/902318773.db2.gz	NCOQMZDGKCVOFK-UHFFFAOYSA-N	-1	0	297.274	0.183	20	30		CCEDRM
Cc1c(N=C(NO)c2nonc2N)cccc1C(=O)[O-]	ZINC001216656931	903861994	/nfs/dbraw/zinc/86/19/94/903861994.db2.gz	LSNHWGPTSQZWNM-UHFFFAOYSA-N	-1	0	277.240	0.716	20	30		CCEDRM
C=CCO[C@@H]1CCN(S(=O)(=O)C2(C(=O)[O-])CCC2)C1	ZINC001333219017	905894444	/nfs/dbraw/zinc/89/44/44/905894444.db2.gz	PXEICFIHXFFGCV-SNVBAGLBSA-N	-1	0	289.353	0.600	20	30		CCEDRM
CC#CC(=O)Nc1ccc([O-])c(S(=O)(=O)NC)c1	ZINC001297653872	907096232	/nfs/dbraw/zinc/09/62/32/907096232.db2.gz	VEIBQWIBDBEQHW-UHFFFAOYSA-N	-1	0	268.294	0.262	20	30		CCEDRM
C=CC[C@@H]1CCCN(c2nnnn2CC(=O)[N-]OC)C1	ZINC001335866300	907104069	/nfs/dbraw/zinc/10/40/69/907104069.db2.gz	ZYNPFKPXZMBXAK-SNVBAGLBSA-N	-1	0	280.332	0.143	20	30		CCEDRM
N#C[C@@H](NC(=O)c1n[nH]c(=O)[n-]c1=O)C1CCCC1	ZINC001303061489	908058962	/nfs/dbraw/zinc/05/89/62/908058962.db2.gz	WJUHMLIEHIDCKA-SSDOTTSWSA-N	-1	0	263.257	0.095	20	30		CCEDRM
Cn1c(=O)[n-]c(NCc2ccnc(Cl)c2)c(C#N)c1=O	ZINC001307140653	908285143	/nfs/dbraw/zinc/28/51/43/908285143.db2.gz	ROEGSIJTUJVOQA-UHFFFAOYSA-N	-1	0	291.698	0.606	20	30		CCEDRM
CCO[N-]C(=O)CNc1nc2ncccc2cc1C#N	ZINC001307159022	908287809	/nfs/dbraw/zinc/28/78/09/908287809.db2.gz	YUEOQBVTASQCHU-UHFFFAOYSA-N	-1	0	271.280	0.981	20	30		CCEDRM
Cc1cccn2cc(Cn3c(=O)[n-]cc(C#N)c3=O)nc12	ZINC001307359624	908307293	/nfs/dbraw/zinc/30/72/93/908307293.db2.gz	LYQZDYVPMUQYPR-UHFFFAOYSA-N	-1	0	281.275	0.413	20	30		CCEDRM
CCO[N-]C(=O)CNS(=O)(=O)c1ccc(C)cc1C#N	ZINC001309648042	908470631	/nfs/dbraw/zinc/47/06/31/908470631.db2.gz	KMXBBTHCIZKFNK-UHFFFAOYSA-N	-1	0	297.336	0.213	20	30		CCEDRM
Cc1[nH]nc(C(=O)N2CCC([C@@H](C)NCC#N)CC2)c1[O-]	ZINC001317678432	909467778	/nfs/dbraw/zinc/46/77/78/909467778.db2.gz	SDKUNNRCSCYOTD-SECBINFHSA-N	-1	0	291.355	0.778	20	30		CCEDRM
Cc1nc(-c2ncccn2)[n-]c(=O)c1CC(=O)N(C)CC#N	ZINC001318429286	909752912	/nfs/dbraw/zinc/75/29/12/909752912.db2.gz	XBPWZYJSXYRKCE-UHFFFAOYSA-N	-1	0	298.306	0.472	20	30		CCEDRM
Cc1cc(C#N)c(=O)[n-]c1C(=O)N[C@H](C)c1ncon1	ZINC001417683242	921529914	/nfs/dbraw/zinc/52/99/14/921529914.db2.gz	IBNHWVZZQOUZPA-SSDOTTSWSA-N	-1	0	273.252	0.841	20	30		CCEDRM
Cc1nnc([S-])n(N=Cc2ccc(C(N)=O)cc2)c1=O	ZINC001318981373	909942063	/nfs/dbraw/zinc/94/20/63/909942063.db2.gz	KYNXKTAPIAASKI-UHFFFAOYSA-N	-1	0	289.320	0.217	20	30		CCEDRM
C=CCn1c(-c2noc(=O)[nH]2)nnc1N1CC2CC1(C)C2	ZINC001338653584	921539046	/nfs/dbraw/zinc/53/90/46/921539046.db2.gz	KDSGAFJUOOYNRY-UHFFFAOYSA-N	-1	0	288.311	0.796	20	30		CCEDRM
N#Cc1cccc(NC(=O)NCc2nc(=O)o[n-]2)c1	ZINC001319911888	910348643	/nfs/dbraw/zinc/34/86/43/910348643.db2.gz	LQKWGPSOYRJKLD-UHFFFAOYSA-N	-1	0	259.225	0.556	20	30		CCEDRM
N#Cc1cccc(C2(C(=O)NCc3nnn[n-]3)CC2)c1	ZINC001319930301	910357960	/nfs/dbraw/zinc/35/79/60/910357960.db2.gz	XBTYKWQZPOIYCL-UHFFFAOYSA-N	-1	0	268.280	0.419	20	30		CCEDRM
CCO[N-]C(=O)C(=O)N1CCc2ccc(C#N)cc21	ZINC001320728121	910826338	/nfs/dbraw/zinc/82/63/38/910826338.db2.gz	KLVRHRPQOUIDCV-UHFFFAOYSA-N	-1	0	259.265	0.515	20	30		CCEDRM
C=CC[C@H](NC(=O)CCOC1CCOCC1)C(=O)[O-]	ZINC001321166146	911131029	/nfs/dbraw/zinc/13/10/29/911131029.db2.gz	AGUXQTXKJIOHRR-NSHDSACASA-N	-1	0	271.313	0.718	20	30		CCEDRM
C[C@H](C(=O)[O-])C1CN(S(=O)(=O)CCCCC#N)C1	ZINC001321228823	911176433	/nfs/dbraw/zinc/17/64/33/911176433.db2.gz	NLJCOTFSMZBZOF-VIFPVBQESA-N	-1	0	274.342	0.663	20	30		CCEDRM
C=CC[C@H](NC(=O)[C@H]1CCCN(C(=O)CC)C1)C(=O)[O-]	ZINC001321658514	911427177	/nfs/dbraw/zinc/42/71/77/911427177.db2.gz	UNWPFWOZTYRSFZ-QWRGUYRKSA-N	-1	0	282.340	0.781	20	30		CCEDRM
N#Cc1c(F)cc(C(=O)Nn2c(=O)[n-][nH]c2=O)cc1F	ZINC001417884164	921679282	/nfs/dbraw/zinc/67/92/82/921679282.db2.gz	RESCVUIMGIMSPJ-UHFFFAOYSA-N	-1	0	281.178	0.223	20	30		CCEDRM
C#CCN1CCC[C@H]1C(=O)N[C@H]1C[C@@H]2C[C@]2(C(=O)[O-])C1	ZINC001339553314	921759498	/nfs/dbraw/zinc/75/94/98/921759498.db2.gz	JEEULIWNJSCRCW-YXMPFFBPSA-N	-1	0	276.336	0.454	20	30		CCEDRM
C=C(C)C[C@H](NC(=O)c1cnn(C)c1OC)C(=O)[O-]	ZINC001339554485	921759996	/nfs/dbraw/zinc/75/99/96/921759996.db2.gz	QJDDTDVMARETSH-VIFPVBQESA-N	-1	0	267.285	0.578	20	30		CCEDRM
C=CCCC(=O)N1CCC[C@@H]1CN(C)Cc1n[nH]c(=O)[n-]1	ZINC001328707988	915371816	/nfs/dbraw/zinc/37/18/16/915371816.db2.gz	UNWSOXRNNGGWAW-LLVKDONJSA-N	-1	0	293.371	0.899	20	30		CCEDRM
C#CCO[N-]C(=O)[C@H]1[C@H]2C[C@H]2CN1C(=O)OC(C)(C)C	ZINC001329051308	915627068	/nfs/dbraw/zinc/62/70/68/915627068.db2.gz	CHSLQYHRWPVGIZ-GARJFASQSA-N	-1	0	280.324	0.923	20	30		CCEDRM
C#CCSCCNC(=O)C(=O)[N-]OCC(C)C	ZINC001329184303	915732760	/nfs/dbraw/zinc/73/27/60/915732760.db2.gz	XDIFDBVQHWXCLT-UHFFFAOYSA-N	-1	0	258.343	0.173	20	30		CCEDRM
C=CC[C@H](NC(=O)C[C@H]1CCOC[C@H]1OCC)C(=O)[O-]	ZINC001331818381	917637383	/nfs/dbraw/zinc/63/73/83/917637383.db2.gz	JBBBPTCPWFRLRA-GRYCIOLGSA-N	-1	0	285.340	0.964	20	30		CCEDRM
N#CC1(CS(=O)(=O)[N-]C(=O)c2cc[n+]([O-])cc2)CCC1	ZINC001332340195	918064168	/nfs/dbraw/zinc/06/41/68/918064168.db2.gz	ORRQWBBGPVISJZ-UHFFFAOYSA-N	-1	0	295.320	0.073	20	30		CCEDRM
C=CCO[C@H]1CCN(S(=O)(=O)C2(C(=O)[O-])CCC2)C1	ZINC001333219015	918737771	/nfs/dbraw/zinc/73/77/71/918737771.db2.gz	PXEICFIHXFFGCV-JTQLQIEISA-N	-1	0	289.353	0.600	20	30		CCEDRM
C=CC[C@@H](NC(=O)[C@@H]1CCCc2n[nH]cc21)C(=O)[O-]	ZINC001334185879	919407347	/nfs/dbraw/zinc/40/73/47/919407347.db2.gz	GAUJWTRIIOLJAE-LDYMZIIASA-N	-1	0	263.297	0.975	20	30		CCEDRM
C#CCN(CC1CC1)C(=O)c1cnc(C(=O)[O-])cn1	ZINC001334223390	919439581	/nfs/dbraw/zinc/43/95/81/919439581.db2.gz	POHMIKWIJFNBBH-UHFFFAOYSA-N	-1	0	259.265	0.660	20	30		CCEDRM
C=CC[C@H](NC(=O)c1cnn(CCOC)c1)C(=O)[O-]	ZINC001334981459	919879448	/nfs/dbraw/zinc/87/94/48/919879448.db2.gz	WKAKWUIODMMZTC-JTQLQIEISA-N	-1	0	267.285	0.289	20	30		CCEDRM
C=CC[C@@H](NC(=O)C1C[C@@H]2COC[C@H](C1)C2=O)C(=O)[O-]	ZINC001334980177	919880558	/nfs/dbraw/zinc/88/05/58/919880558.db2.gz	FEEDNMAGVQOXPX-HUAZRZQGSA-N	-1	0	281.308	0.374	20	30		CCEDRM
C#C[C@H](C)N(C)c1nnc(-c2cc(=O)n(C)[n-]2)n1C	ZINC001339841016	921847602	/nfs/dbraw/zinc/84/76/02/921847602.db2.gz	TVUWAPDSKBWZJM-QMMMGPOBSA-N	-1	0	260.301	0.379	20	30		CCEDRM
C#CC[C@@H]1CCCN(c2nnc(-c3cc(=O)[nH][n-]3)n2C)C1	ZINC001339858435	921852173	/nfs/dbraw/zinc/85/21/73/921852173.db2.gz	NADAXORBUJUODQ-SNVBAGLBSA-N	-1	0	286.339	0.279	20	30		CCEDRM
C=CC[C@H](NC(=O)CCCC(=O)NC(C)C)C(=O)[O-]	ZINC001339865281	921859620	/nfs/dbraw/zinc/85/96/20/921859620.db2.gz	QZRWLNOUHRUCGY-JTQLQIEISA-N	-1	0	270.329	0.827	20	30		CCEDRM
Cc1nc(C)c(CC(=O)N2CC[C@](O)(CC#N)C2)c(=O)[nH]1	ZINC001418179670	921876595	/nfs/dbraw/zinc/87/65/95/921876595.db2.gz	TYEFBLLLOSBLNJ-CQSZACIVSA-N	-1	0	290.323	0.219	20	30		CCEDRM
C[C@H](O)c1ncc(C(=O)Nc2nc(C#N)c(C#N)[n-]2)s1	ZINC001418238725	921952328	/nfs/dbraw/zinc/95/23/28/921952328.db2.gz	QQJPBEDFMRKCPH-YFKPBYRVSA-N	-1	0	288.292	0.915	20	30		CCEDRM
Cc1ccc(C#N)cc1C(=O)N1CCOC[C@@H]1c1nnn[n-]1	ZINC001418863207	922459368	/nfs/dbraw/zinc/45/93/68/922459368.db2.gz	KALAFTYUTUBBIL-GFCCVEGCSA-N	-1	0	298.306	0.594	20	30		CCEDRM
N#Cc1cccc(OCC(=O)N2CC[C@@H](c3nnn[n-]3)C2)c1	ZINC001419045329	922597235	/nfs/dbraw/zinc/59/72/35/922597235.db2.gz	ZHWRRUYZJLJQNF-LLVKDONJSA-N	-1	0	298.306	0.466	20	30		CCEDRM
N#Cc1csc(C(=O)NC2(c3nnn[n-]3)CCC2)c1	ZINC001419158577	922669775	/nfs/dbraw/zinc/66/97/75/922669775.db2.gz	DXAGBTUHZOITAJ-UHFFFAOYSA-N	-1	0	274.309	0.942	20	30		CCEDRM
C[C@H](CNC(=O)C1(C#N)CCOCC1)CC(=O)[O-]	ZINC001341868725	922704623	/nfs/dbraw/zinc/70/46/23/922704623.db2.gz	KFWGQYPATIVRNS-VIFPVBQESA-N	-1	0	254.286	0.534	20	30		CCEDRM
C=CCNC(=O)C(C#N)=C([O-])c1cc(C2CC2)nn1C	ZINC001343510579	923358451	/nfs/dbraw/zinc/35/84/51/923358451.db2.gz	RCEAPOPZVOMEJW-JTQLQIEISA-N	-1	0	272.308	0.922	20	30		CCEDRM
COCCN(CCC(=O)[O-])Cc1ccncc1C#N	ZINC001345138539	923804351	/nfs/dbraw/zinc/80/43/51/923804351.db2.gz	YKBBQXBZQWZERV-UHFFFAOYSA-N	-1	0	263.297	0.876	20	30		CCEDRM
N#CC1(C(=O)N2CC[C@@H]([C@@H](F)C(=O)[O-])C2)CCC1	ZINC001345768727	923972041	/nfs/dbraw/zinc/97/20/41/923972041.db2.gz	MVGCMFZAHLGUSE-RKDXNWHRSA-N	-1	0	254.261	0.951	20	30		CCEDRM
CC(C)NC(=O)C(C#N)=C([O-])c1ccc(C#N)n1C	ZINC001346247280	924130631	/nfs/dbraw/zinc/13/06/31/924130631.db2.gz	GDSJVBGGNAECAR-JTQLQIEISA-N	-1	0	258.281	0.744	20	30		CCEDRM
C=C[C@@H](C)O[N-]C(=O)c1ccc(=O)n(CCOC)n1	ZINC001346308583	924153213	/nfs/dbraw/zinc/15/32/13/924153213.db2.gz	ZFSCDNYEHRGEQF-SECBINFHSA-N	-1	0	267.285	0.126	20	30		CCEDRM
Cn1cc(CS(=O)(=O)[N-]C(=O)CCCCC#N)cn1	ZINC001346463160	924226066	/nfs/dbraw/zinc/22/60/66/924226066.db2.gz	LTMJBWFZKHDMPN-UHFFFAOYSA-N	-1	0	284.341	0.450	20	30		CCEDRM
C=CCO[N-]C(=O)CN1CCCC2(CC2)S1(=O)=O	ZINC001347024689	924353375	/nfs/dbraw/zinc/35/33/75/924353375.db2.gz	AGYZFTWCPFNKFU-UHFFFAOYSA-N	-1	0	274.342	0.178	20	30		CCEDRM
C=CCCC(=O)N[C@@H](C(=O)[O-])[C@@H](O)c1ccncc1	ZINC001347562324	924479867	/nfs/dbraw/zinc/47/98/67/924479867.db2.gz	KHRKFRJBABWADZ-NEPJUHHUSA-N	-1	0	264.281	0.651	20	30		CCEDRM
C[C@@H]1CCN(c2[n-]c(=O)n(C)c(=O)c2C#N)C[C@@H]1C	ZINC001348063530	924589804	/nfs/dbraw/zinc/58/98/04/924589804.db2.gz	QUZPOCOLCAGLMI-BDAKNGLRSA-N	-1	0	262.313	0.428	20	30		CCEDRM
C=CCN(CC(=O)[O-])Cc1nc(C2CC2)nn1C	ZINC001349591024	924999755	/nfs/dbraw/zinc/99/97/55/924999755.db2.gz	DGBHXQBJFNPXIU-UHFFFAOYSA-N	-1	0	250.302	0.765	20	30		CCEDRM
Cn1c(=O)[n-]c(Sc2nc3c([nH]2)CCC3)c(C#N)c1=O	ZINC001413887858	925997717	/nfs/dbraw/zinc/99/77/17/925997717.db2.gz	JFLCPUXNNCUIKG-UHFFFAOYSA-N	-1	0	289.320	0.308	20	30		CCEDRM
Cn1c(=O)[n-]c(N[C@H](CO)C2CCCCC2)c(C#N)c1=O	ZINC001472707970	926129954	/nfs/dbraw/zinc/12/99/54/926129954.db2.gz	IOPXSUMEWRYMHK-LLVKDONJSA-N	-1	0	292.339	0.298	20	30		CCEDRM
C=CCn1c(-c2cc(=O)[nH][n-]2)nnc1N(C)[C@H](C)CC#N	ZINC001356038374	926337416	/nfs/dbraw/zinc/33/74/16/926337416.db2.gz	OBHDFBGTHVFTSW-SECBINFHSA-N	-1	0	287.327	0.426	20	30		CCEDRM
C=CC1CCN(c2nnc(-c3cc(=O)[nH][n-]3)n2CC)CC1	ZINC001356448447	926383311	/nfs/dbraw/zinc/38/33/11/926383311.db2.gz	SWMBIAMVXHHQMH-UHFFFAOYSA-N	-1	0	288.355	0.924	20	30		CCEDRM
Cn1ccnc1C([O-])=C(C#N)C(=O)[C@@H]1C[C@H]2CC(=O)[C@@H]1C2	ZINC001358045310	926625307	/nfs/dbraw/zinc/62/53/07/926625307.db2.gz	IYAUVAYPLRAOPM-LNFKQOIKSA-N	-1	0	285.303	0.927	20	30		CCEDRM
C#CC[C@H](NC(=O)CNC(=O)c1ccc(C)s1)C(=O)[O-]	ZINC000149815063	926944267	/nfs/dbraw/zinc/94/42/67/926944267.db2.gz	HWVJSIPSUMPREB-VIFPVBQESA-N	-1	0	294.332	0.379	20	30		CCEDRM
CN(C(=O)CSc1ccc(C#N)cc1)c1nnn[n-]1	ZINC001361667214	927233158	/nfs/dbraw/zinc/23/31/58/927233158.db2.gz	OSQZXVGUNVNIFM-UHFFFAOYSA-N	-1	0	274.309	0.826	20	30		CCEDRM
N#Cc1cccc(CNC(=O)CCCc2nnn[n-]2)c1	ZINC001361787430	927330086	/nfs/dbraw/zinc/33/00/86/927330086.db2.gz	HZFRVUKVJVFRKC-UHFFFAOYSA-N	-1	0	270.296	0.710	20	30		CCEDRM
Cc1cccc(NC(=O)Cn2cc(C#N)c(=O)[n-]c2=O)c1	ZINC001361854112	927392135	/nfs/dbraw/zinc/39/21/35/927392135.db2.gz	KGROIRUEWHKWGG-UHFFFAOYSA-N	-1	0	284.275	0.768	20	30		CCEDRM
Cc1cc(C#N)c(=O)[n-]c1C(=O)NCCn1ccnc1	ZINC001361916863	927445658	/nfs/dbraw/zinc/44/56/58/927445658.db2.gz	HAAQJUXDFYRYGC-UHFFFAOYSA-N	-1	0	271.280	0.594	20	30		CCEDRM
Cc1[nH][nH]c(=O)c1CCNC(=O)c1ccc(C#N)n1C	ZINC001362054984	927562343	/nfs/dbraw/zinc/56/23/43/927562343.db2.gz	AHOUNJORJSIWKF-JTQLQIEISA-N	-1	0	273.296	0.139	20	30		CCEDRM
C[C@]1(C#N)CCCN(C(=O)CCCn2c(=O)[n-][nH]c2=O)C1	ZINC001362201626	927723988	/nfs/dbraw/zinc/72/39/88/927723988.db2.gz	AOXZPUOGISBOFK-CYBMUJFWSA-N	-1	0	293.327	0.622	20	30		CCEDRM
Cc1cc(C#N)c(=O)[n-]c1C(=O)NCC(=O)OC(C)C	ZINC001362261401	927792520	/nfs/dbraw/zinc/79/25/20/927792520.db2.gz	GYYITJIOXRSNQS-UHFFFAOYSA-N	-1	0	277.280	0.649	20	30		CCEDRM
CCc1nnc(NC(=O)c2[n-]c(=O)c(C#N)cc2C)[nH]1	ZINC001362268173	927802873	/nfs/dbraw/zinc/80/28/73/927802873.db2.gz	KRXQQWIVAXPWFU-UHFFFAOYSA-N	-1	0	272.268	0.900	20	30		CCEDRM
Cc1cc(C#N)c(=O)[n-]c1C(=O)N(CCCO)C1CC1	ZINC001362481063	928074570	/nfs/dbraw/zinc/07/45/70/928074570.db2.gz	OJXQAPMGAWWRRK-UHFFFAOYSA-N	-1	0	275.308	0.954	20	30		CCEDRM
C[C@H](CN(C)C(=O)[C@]1(C#N)CCCOC1)c1nnn[n-]1	ZINC001362487053	928087254	/nfs/dbraw/zinc/08/72/54/928087254.db2.gz	CFONCXHQNVOAHZ-SKDRFNHKSA-N	-1	0	278.316	0.082	20	30		CCEDRM
CCn1nc(C)c(C(=O)Nc2nc(C#N)c(C#N)[n-]2)n1	ZINC001362613238	928251046	/nfs/dbraw/zinc/25/10/46/928251046.db2.gz	OONGYFYKXKODHY-UHFFFAOYSA-N	-1	0	270.256	0.325	20	30		CCEDRM
Cc1cc(C#N)c(=O)[n-]c1C(=O)N[C@@H]1C[C@H](C)n2ncnc21	ZINC001362665117	928326163	/nfs/dbraw/zinc/32/61/63/928326163.db2.gz	KQYKUKNZFPHXMD-WCBMZHEXSA-N	-1	0	298.306	0.995	20	30		CCEDRM
CC1(C(=O)NCCn2cc(C#N)c(=O)[n-]c2=O)CCCC1	ZINC001362687140	928359292	/nfs/dbraw/zinc/35/92/92/928359292.db2.gz	ICZPZJHLDPDALV-UHFFFAOYSA-N	-1	0	290.323	0.517	20	30		CCEDRM
CSc1[n-]c(=O)c(C(=O)N2CC[C@H](O)[C@@H]2C)cc1C#N	ZINC001362693689	928368631	/nfs/dbraw/zinc/36/86/31/928368631.db2.gz	JRAFHHKMODSDCZ-XVKPBYJWSA-N	-1	0	293.348	0.976	20	30		CCEDRM
COC(=O)N1CC(NC(=O)c2[n-]c(=O)c(C#N)cc2C)C1	ZINC001362954576	928695189	/nfs/dbraw/zinc/69/51/89/928695189.db2.gz	HSIIHSDJUBQNRR-UHFFFAOYSA-N	-1	0	290.279	0.148	20	30		CCEDRM
CCOC(=O)c1n[nH]c([C@@H](C)NC(=O)C(C)(C)C#N)n1	ZINC001363050378	928806931	/nfs/dbraw/zinc/80/69/31/928806931.db2.gz	QRYQKSYCCMLITH-SSDOTTSWSA-N	-1	0	279.300	0.708	20	30		CCEDRM
Cc1cc(C#N)cc(C)c1CC(=O)Nn1c(=O)[n-][nH]c1=O	ZINC001363142799	928915178	/nfs/dbraw/zinc/91/51/78/928915178.db2.gz	XNLLGMKYVYSJRT-UHFFFAOYSA-N	-1	0	287.279	0.491	20	30		CCEDRM
Cn1c(=O)[n-]c(N2CCc3c2cccc3F)c(C#N)c1=O	ZINC001363145632	928917665	/nfs/dbraw/zinc/91/76/65/928917665.db2.gz	WAQOCFQBEIPYFP-UHFFFAOYSA-N	-1	0	286.266	0.779	20	30		CCEDRM
C[C@H]1COCCCN1Cc1cc(=O)n2[n-]cc(C#N)c2n1	ZINC001363211893	928978558	/nfs/dbraw/zinc/97/85/58/928978558.db2.gz	OXTPBUCGLJSGLS-JTQLQIEISA-N	-1	0	287.323	0.917	20	30		CCEDRM
Cc1cc(C#N)c(=O)[n-]c1C(=O)NC[C@H](O)[C@H]1CCCO1	ZINC001363256056	929034155	/nfs/dbraw/zinc/03/41/55/929034155.db2.gz	PEFJAUMXORBJPE-WDEREUQCSA-N	-1	0	291.307	0.237	20	30		CCEDRM
C[C@@H]1CCN(Cc2cc(=O)n3[n-]cc(C#N)c3n2)CCO1	ZINC001363333217	929125900	/nfs/dbraw/zinc/12/59/00/929125900.db2.gz	ZELRANQYHWGUCI-SNVBAGLBSA-N	-1	0	287.323	0.917	20	30		CCEDRM
CCOC(=O)[C@@H]1CC[C@@H]1C(=O)Nc1nc(C#N)c(C#N)[n-]1	ZINC001363466163	929270765	/nfs/dbraw/zinc/27/07/65/929270765.db2.gz	MMWLXDYWWMKTGR-JGVFFNPUSA-N	-1	0	287.279	0.681	20	30		CCEDRM
Cc1cc(C#N)c(=O)[n-]c1C(=O)N[C@H](CO)C(F)(F)F	ZINC001363820951	929612784	/nfs/dbraw/zinc/61/27/84/929612784.db2.gz	PPFZAJRTHBZLQG-SSDOTTSWSA-N	-1	0	289.213	0.620	20	30		CCEDRM
N#CC1CCC(CNC(=O)N2CCO[C@H](C(=O)[O-])C2)CC1	ZINC001601058015	970924805	/nfs/dbraw/zinc/92/48/05/970924805.db2.gz	GVSMZKRKERYNJC-MCIGGMRASA-N	-1	0	295.339	0.811	20	30		CCEDRM
N#Cc1cc(C(=O)NC2(CC(=O)[O-])CCOCC2)co1	ZINC001601086141	970929719	/nfs/dbraw/zinc/92/97/19/970929719.db2.gz	ZFJYDSPLJXFTNC-UHFFFAOYSA-N	-1	0	278.264	0.905	20	30		CCEDRM
N#Cc1ccc(CCOC(=O)COCC(=O)[O-])cc1	ZINC001601097620	970932466	/nfs/dbraw/zinc/93/24/66/970932466.db2.gz	JEVHSSFEEYDMIX-UHFFFAOYSA-N	-1	0	263.249	0.745	20	30		CCEDRM
O=C([O-])[C@@]1(NC(=O)c2cccc(C#CCO)c2)CCOC1	ZINC001601431307	970996698	/nfs/dbraw/zinc/99/66/98/970996698.db2.gz	OEDIZPSEIGLCAQ-OAHLLOKOSA-N	-1	0	289.287	0.004	20	30		CCEDRM
C#CCCCCCC(=O)N1CCO[C@@](COC)(C(=O)[O-])C1	ZINC001602675791	971254049	/nfs/dbraw/zinc/25/40/49/971254049.db2.gz	RGTJTCAVICNEKN-HNNXBMFYSA-N	-1	0	297.351	0.899	20	30		CCEDRM
C#CCN(CC(=O)[O-])C(=O)[C@H](C)OC[C@H]1CCCO1	ZINC001602679144	971257925	/nfs/dbraw/zinc/25/79/25/971257925.db2.gz	KQZWBQNAVKRESY-WDEREUQCSA-N	-1	0	269.297	0.117	20	30		CCEDRM
C#CCN(CC(=O)[O-])C(=O)[C@@H](C)Oc1cccc(CO)c1	ZINC001602679528	971259972	/nfs/dbraw/zinc/25/99/72/971259972.db2.gz	RSYCIXNLKRIJFW-LLVKDONJSA-N	-1	0	291.303	0.493	20	30		CCEDRM
C#CCN(CC(=O)[O-])C(=O)NCCc1csc(CC)n1	ZINC001602685882	971282858	/nfs/dbraw/zinc/28/28/58/971282858.db2.gz	JPEOYOBDBPJOSH-UHFFFAOYSA-N	-1	0	295.364	0.977	20	30		CCEDRM
C#CCN(CC(=O)[O-])C(=O)NCc1c(C)nn(CC)c1C	ZINC001602686023	971285475	/nfs/dbraw/zinc/28/54/75/971285475.db2.gz	NUVJOAGMJHDDRW-UHFFFAOYSA-N	-1	0	292.339	0.749	20	30		CCEDRM
C#CCN(CC(=O)[O-])Cc1cc(OC)c2c(c1)OCCO2	ZINC001602695970	971313556	/nfs/dbraw/zinc/31/35/56/971313556.db2.gz	ZIQHOALZUCAABP-UHFFFAOYSA-N	-1	0	291.303	0.986	20	30		CCEDRM
C#CCN(CC(=O)[O-])c1nnc(COC2CCC2)n1C	ZINC001602700588	971319097	/nfs/dbraw/zinc/31/90/97/971319097.db2.gz	AMZLHMKVBZPBAN-UHFFFAOYSA-N	-1	0	278.312	0.408	20	30		CCEDRM
C#Cc1ccc(C(=O)N2C[C@@H]3COC[C@]3(C(=O)[O-])C2)cn1	ZINC001602704559	971335417	/nfs/dbraw/zinc/33/54/17/971335417.db2.gz	KRMUIJLTVDFBQD-IAQYHMDHSA-N	-1	0	286.287	0.236	20	30		CCEDRM
C=CCO[C@H]1CC[N@@H+](Cc2c(C(=O)[O-])cnn2C)C1	ZINC001602723271	971395687	/nfs/dbraw/zinc/39/56/87/971395687.db2.gz	YBYAFQTXPQXGHK-JTQLQIEISA-N	-1	0	265.313	0.895	20	30		CCEDRM
C=CCOc1ccc(CNC(=O)[C@H](OC)C(=O)[O-])cc1	ZINC001602728796	971396397	/nfs/dbraw/zinc/39/63/97/971396397.db2.gz	GDYKWJGFHIIRCW-LBPRGKRZSA-N	-1	0	279.292	0.967	20	30		CCEDRM
C=CCn1c(C[C@@H](C)O)nnc1N1CC[C@H](C(=O)[O-])C1	ZINC001602730200	971407077	/nfs/dbraw/zinc/40/70/77/971407077.db2.gz	WXAOWGSXRAFOCL-ZJUUUORDSA-N	-1	0	280.328	0.298	20	30		CCEDRM
C=C[C@@H]1OCC[C@H]1C(=O)N1CCC[C@H](C(=O)[O-])C1	ZINC001602730966	971411741	/nfs/dbraw/zinc/41/17/41/971411741.db2.gz	NWZYNKJNYWTIRP-AXFHLTTASA-N	-1	0	253.298	0.901	20	30		CCEDRM
CC(=NN[C@H](C)c1ccncc1)c1cn(CC(=O)[O-])nn1	ZINC001602737108	971429149	/nfs/dbraw/zinc/42/91/49/971429149.db2.gz	HYPMAUKAYVYEAL-SECBINFHSA-N	-1	0	288.311	0.833	20	30		CCEDRM
N#Cc1ccc(C(=O)Nc2cc(C(=O)[O-])n[nH]2)nc1	ZINC000080670141	949012116	/nfs/dbraw/zinc/01/21/16/949012116.db2.gz	PHNFBUWDCSNCBJ-UHFFFAOYSA-N	-1	0	257.209	0.627	20	30		CCEDRM
C#CCN(CC(=O)[O-])C(=O)c1cnn(-c2ccccc2)n1	ZINC000092476878	949144291	/nfs/dbraw/zinc/14/42/91/949144291.db2.gz	HFFWLZAFBBXZPW-UHFFFAOYSA-N	-1	0	284.275	0.427	20	30		CCEDRM
CC[C@@]1(O)CCCN(C(=O)[C@](C)(C#N)CC(=O)[O-])C1	ZINC001589612942	949342617	/nfs/dbraw/zinc/34/26/17/949342617.db2.gz	BHCTWNQQLJVZTR-QWHCGFSZSA-N	-1	0	268.313	0.754	20	30		CCEDRM
N#Cc1cccc(CNC(=O)[C@H]2CC(C(=O)[O-])=NO2)c1	ZINC000230759563	949711344	/nfs/dbraw/zinc/71/13/44/949711344.db2.gz	IGKSQATYSYNUQL-LLVKDONJSA-N	-1	0	273.248	0.404	20	30		CCEDRM
C#CCN(CC(=O)[O-])C(=O)COCC(F)(F)F	ZINC000232325024	949767777	/nfs/dbraw/zinc/76/77/77/949767777.db2.gz	BYXOMCNUCRDBGO-UHFFFAOYSA-N	-1	0	253.176	0.112	20	30		CCEDRM
C[C@@H](C(=O)[O-])c1noc([C@@]2(C#N)CCCOC2)n1	ZINC001602825844	971643663	/nfs/dbraw/zinc/64/36/63/971643663.db2.gz	WHHFCFNLRWMZMT-RDDDGLTNSA-N	-1	0	251.242	0.829	20	30		CCEDRM
CCN(C[C@@H](C)OC)C(=O)[C@@](C)(C#N)CC(=O)[O-]	ZINC001589719687	950405440	/nfs/dbraw/zinc/40/54/40/950405440.db2.gz	GTZYKHBLNWLIRG-BXKDBHETSA-N	-1	0	256.302	0.874	20	30		CCEDRM
CCN(CCC#N)S(=O)(=O)N([C@@H](C)C(=O)[O-])C1CC1	ZINC001589729887	950485303	/nfs/dbraw/zinc/48/53/03/950485303.db2.gz	GFHDGFLHPPGONA-VIFPVBQESA-N	-1	0	289.357	0.404	20	30		CCEDRM
CC(C)(C)CC[C@H](NC(=O)[C@@](C)(C#N)CC(=O)[O-])C(N)=O	ZINC001602859255	971709306	/nfs/dbraw/zinc/70/93/06/971709306.db2.gz	CPHSXZJUJINKHQ-LKFCYVNXSA-N	-1	0	297.355	0.787	20	30		CCEDRM
O=C([O-])CCNN=Cc1ccnn1-c1cc[nH+]cc1	ZINC001595060892	951516582	/nfs/dbraw/zinc/51/65/82/951516582.db2.gz	KSGFISNXXOVDIO-UHFFFAOYSA-N	-1	0	259.269	0.666	20	30		CCEDRM
O=C([O-])Cn1cccc1C=NN1CCCNC1=O	ZINC001595158587	952182493	/nfs/dbraw/zinc/18/24/93/952182493.db2.gz	QEVRLRPURWLAFP-UHFFFAOYSA-N	-1	0	250.258	0.322	20	30		CCEDRM
C[C@@H]1CCN(C(=O)[C@](C)(C#N)CC(=O)[O-])C[C@H]1CO	ZINC001589336426	953995862	/nfs/dbraw/zinc/99/58/62/953995862.db2.gz	LCBPUVIIHSXUQD-NRUUGDAUSA-N	-1	0	268.313	0.468	20	30		CCEDRM
CN(C)C[C@](C)(C#N)NC(=O)[C@@H]1CO[C@H](CCC(=O)[O-])C1	ZINC001593691873	954043010	/nfs/dbraw/zinc/04/30/10/954043010.db2.gz	DFEFQABKYLUKSW-WDMOLILDSA-N	-1	0	297.355	0.216	20	30		CCEDRM
C[C@@H]1CN(C(=O)[C@](C)(C#N)CC(=O)[O-])C[C@H](C)[S@@]1=O	ZINC001589366079	954195223	/nfs/dbraw/zinc/19/52/23/954195223.db2.gz	GSAPUFODWSIZJU-UYRFPYTDSA-N	-1	0	286.353	0.359	20	30		CCEDRM
C[C@H]1CN(C(=O)C2(C#N)CCOCC2)CC[C@@H]1C(=O)[O-]	ZINC001589366230	954197900	/nfs/dbraw/zinc/19/79/00/954197900.db2.gz	KZJVIEUHOFBBGN-QWRGUYRKSA-N	-1	0	280.324	0.876	20	30		CCEDRM
CN(C)c1noc(COC(=O)[C@@](C)(C#N)CC(=O)[O-])n1	ZINC001593716666	954227221	/nfs/dbraw/zinc/22/72/21/954227221.db2.gz	GWKZGLAHOFZREE-LLVKDONJSA-N	-1	0	282.256	0.183	20	30		CCEDRM
CN(CCCC(=O)[O-])c1ccc(S(N)(=O)=O)cc1C#N	ZINC001593747958	954395156	/nfs/dbraw/zinc/39/51/56/954395156.db2.gz	QDJYUVUTQVIPDW-UHFFFAOYSA-N	-1	0	297.336	0.507	20	30		CCEDRM
CCN(C[C@H](C)C#N)C(=O)c1cc(C(=O)[O-])no1	ZINC000386352992	972047441	/nfs/dbraw/zinc/04/74/41/972047441.db2.gz	BSSDSRASAKQSBI-SSDOTTSWSA-N	-1	0	251.242	0.995	20	30		CCEDRM
COC(=O)C1CC2(C1)CN(CC#N)C[C@H]2C(=O)[O-]	ZINC001593823626	955064046	/nfs/dbraw/zinc/06/40/46/955064046.db2.gz	DOWZPTXOIVXXBQ-XEVUQIKYSA-N	-1	0	252.270	0.096	20	30		CCEDRM
COC(=O)CCN(CC(=O)[O-])c1cc(C)c(C#N)cn1	ZINC001593843370	955383936	/nfs/dbraw/zinc/38/39/36/955383936.db2.gz	WKOOYPOHNMMFEP-UHFFFAOYSA-N	-1	0	277.280	0.716	20	30		CCEDRM
Cn1c([C@H]2C[C@@H]2C#N)nnc1N1CCC[C@@H](C(=O)[O-])C1	ZINC001594518346	955439240	/nfs/dbraw/zinc/43/92/40/955439240.db2.gz	VYFIJSOHSJQKSF-BBBLOLIVSA-N	-1	0	275.312	0.743	20	30		CCEDRM
COC(=O)c1cncc(C(C)=NNCCC(=O)[O-])c1	ZINC001593893664	955802592	/nfs/dbraw/zinc/80/25/92/955802592.db2.gz	YEWAKMHSHBGXTN-UHFFFAOYSA-N	-1	0	265.269	0.657	20	30		CCEDRM
CO[C@H](C(=O)[O-])C(=O)Nc1cc(C)c(N(C)C)cc1C#N	ZINC001593911273	955967052	/nfs/dbraw/zinc/96/70/52/955967052.db2.gz	JTCQLRCKXICDML-LBPRGKRZSA-N	-1	0	291.307	0.971	20	30		CCEDRM
CO[C@@H](C(=O)[O-])C(=O)N[C@H](C)c1ccc(C#N)cc1	ZINC001593915605	956018412	/nfs/dbraw/zinc/01/84/12/956018412.db2.gz	FFMHBDMLBVWDKY-LDYMZIIASA-N	-1	0	262.265	0.835	20	30		CCEDRM
N#CC1(CC(=O)N[C@]2(C(=O)[O-])CCOC2)CCOCC1	ZINC001594604618	956164276	/nfs/dbraw/zinc/16/42/76/956164276.db2.gz	ZFBCIHGPNKJJFZ-CYBMUJFWSA-N	-1	0	282.296	0.057	20	30		CCEDRM
N#C[C@@H]1COCCN1C(=O)c1coc(/C=C\C(=O)[O-])c1	ZINC001594606363	956181250	/nfs/dbraw/zinc/18/12/50/956181250.db2.gz	VYFZLOXEMGKIKZ-JWXWKVPASA-N	-1	0	276.248	0.742	20	30		CCEDRM
N#CCCCCOC(=O)[C@H]1CCCN(CC(=O)[O-])C1=O	ZINC001594609228	956192137	/nfs/dbraw/zinc/19/21/37/956192137.db2.gz	XNXRPCAMDYGBNT-JTQLQIEISA-N	-1	0	282.296	0.547	20	30		CCEDRM
N#CCN1CCN(C(=O)Nc2cncc(C(=O)[O-])c2)CC1	ZINC001594609506	956193068	/nfs/dbraw/zinc/19/30/68/956193068.db2.gz	BLTMSJHBXBFHGD-UHFFFAOYSA-N	-1	0	289.295	0.453	20	30		CCEDRM
N#CCc1ccc(C(=O)OCC(=O)NCC(=O)[O-])cc1	ZINC001594610914	956207872	/nfs/dbraw/zinc/20/78/72/956207872.db2.gz	CGBMPHZYPAYOKX-UHFFFAOYSA-N	-1	0	276.248	0.110	20	30		CCEDRM
N#Cc1cc(CNc2ccn(CC(=O)[O-])n2)ccn1	ZINC001594616622	956242813	/nfs/dbraw/zinc/24/28/13/956242813.db2.gz	OTYYWBYRODOONO-UHFFFAOYSA-N	-1	0	257.253	0.846	20	30		CCEDRM
N#Cc1ccc(CN2CCN(C(=O)C(=O)[O-])CC2)s1	ZINC001594620475	956276020	/nfs/dbraw/zinc/27/60/20/956276020.db2.gz	GJDFYVDUIDWZIT-UHFFFAOYSA-N	-1	0	279.321	0.349	20	30		CCEDRM
C[C@@](O)(CNC(=O)c1cccc(CC#N)c1)C(=O)[O-]	ZINC001589144551	956279341	/nfs/dbraw/zinc/27/93/41/956279341.db2.gz	OOYHJMDNXWOFGR-CYBMUJFWSA-N	-1	0	262.265	0.318	20	30		CCEDRM
N#Cc1ccccc1OCC(=O)Nc1c[nH]nc1C(=O)[O-]	ZINC001594631433	956342118	/nfs/dbraw/zinc/34/21/18/956342118.db2.gz	ALIBZQWWURJJCC-UHFFFAOYSA-N	-1	0	286.247	0.997	20	30		CCEDRM
COC[C@]1(C(=O)[O-])CN(C(=O)NCC(C)(C)C#N)CCO1	ZINC001593970386	956606373	/nfs/dbraw/zinc/60/63/73/956606373.db2.gz	HYLJRQIUKWOCNC-ZDUSSCGKSA-N	-1	0	299.327	0.048	20	30		CCEDRM
COC[C@@]1(C(=O)[O-])CN(C(=O)CC(C)(C)C#N)CCO1	ZINC001593972477	956633415	/nfs/dbraw/zinc/63/34/15/956633415.db2.gz	KRIWJQWCXDPTDE-CYBMUJFWSA-N	-1	0	284.312	0.255	20	30		CCEDRM
C[C@@H](C#N)CN(C)CC(=O)N1CCC(C(=O)[O-])CC1	ZINC000054262885	957526477	/nfs/dbraw/zinc/52/64/77/957526477.db2.gz	GDWMDVZEORIPPW-JTQLQIEISA-N	-1	0	267.329	0.401	20	30		CCEDRM
CO[C@H]1C[C@@H](CNC(=O)[C@](C)(C#N)CC(=O)[O-])C1	ZINC001594045482	957915465	/nfs/dbraw/zinc/91/54/65/957915465.db2.gz	GIBJOVZEVHAOIW-SBMIAAHKSA-N	-1	0	254.286	0.532	20	30		CCEDRM
C#CC1(O)CN(C(=O)Nc2ccc(C(=O)[O-])c(C)c2)C1	ZINC001588387150	957985842	/nfs/dbraw/zinc/98/58/42/957985842.db2.gz	YPTBHTUJJXWFMM-UHFFFAOYSA-N	-1	0	274.276	0.905	20	30		CCEDRM
C#CCC1(NC(=O)NC[C@H](CC)C(=O)[O-])CCOCC1	ZINC001588391135	958018894	/nfs/dbraw/zinc/01/88/94/958018894.db2.gz	BAEOGWGGARWASF-NSHDSACASA-N	-1	0	282.340	0.969	20	30		CCEDRM
C#CCC1(O)CCN(C(=O)[C@]2(C(=O)[O-])CC2(C)C)CC1	ZINC001588391342	958022755	/nfs/dbraw/zinc/02/27/55/958022755.db2.gz	FZHJSSZLDNRIHM-HNNXBMFYSA-N	-1	0	279.336	0.864	20	30		CCEDRM
C#CC[C@H]1CCCN(C(=O)NCCOCC(=O)[O-])C1	ZINC001588391571	958025814	/nfs/dbraw/zinc/02/58/14/958025814.db2.gz	JLNWOSNFRVEDJD-NSHDSACASA-N	-1	0	268.313	0.533	20	30		CCEDRM
C#CCC[C@H](O)CNC(=O)NC[C@@H](C(=O)[O-])C(C)C	ZINC001588391565	958025910	/nfs/dbraw/zinc/02/59/10/958025910.db2.gz	JKFVQOHZRUMTFX-WDEREUQCSA-N	-1	0	270.329	0.417	20	30		CCEDRM
C#CC[C@@H]1CCCN(C(=O)C(=O)NC[C@H](C)C(=O)[O-])C1	ZINC001588391688	958026753	/nfs/dbraw/zinc/02/67/53/958026753.db2.gz	LSXZNEHBVNZAPG-WDEREUQCSA-N	-1	0	280.324	0.085	20	30		CCEDRM
C#CCN(C)c1cnc(-c2noc(CCC(=O)[O-])n2)cn1	ZINC001588395087	958038446	/nfs/dbraw/zinc/03/84/46/958038446.db2.gz	JKRGYCDMYMGCEO-UHFFFAOYSA-N	-1	0	287.279	0.613	20	30		CCEDRM
C#CCN(CC(=O)[O-])C(=O)C(=O)Nc1ncc(CC)s1	ZINC001588397545	958059220	/nfs/dbraw/zinc/05/92/20/958059220.db2.gz	LMGBDDFIHNEIEV-UHFFFAOYSA-N	-1	0	295.320	0.190	20	30		CCEDRM
C#CCN(CC(=O)[O-])C(=O)[C@@H]1CC12CC(OCC)C2	ZINC001588400440	958082059	/nfs/dbraw/zinc/08/20/59/958082059.db2.gz	XWBNRJRGSIIKNI-CVZZAPKMSA-N	-1	0	265.309	0.738	20	30		CCEDRM
C#CCN(CC(=O)[O-])C(=O)CSc1nncs1	ZINC001588406894	958096028	/nfs/dbraw/zinc/09/60/28/958096028.db2.gz	FFMQPNPGAXMCLC-UHFFFAOYSA-N	-1	0	271.323	0.177	20	30		CCEDRM
C#CCN(CC(=O)[O-])C(=O)Cc1ccccc1C(=O)OC	ZINC001588407263	958097510	/nfs/dbraw/zinc/09/75/10/958097510.db2.gz	JOJWYDQBWNCSFQ-UHFFFAOYSA-N	-1	0	289.287	0.562	20	30		CCEDRM
C#CCN(CC(=O)[O-])C(=O)Cc1cnn2c1CCCC2	ZINC001588407939	958104550	/nfs/dbraw/zinc/10/45/50/958104550.db2.gz	ZJFPDEOGVZJXQV-UHFFFAOYSA-N	-1	0	275.308	0.308	20	30		CCEDRM
C#CCN(CC(=O)[O-])C(=O)N[C@@H]1C[C@H]2CCC[C@H]21	ZINC001588409572	958129757	/nfs/dbraw/zinc/12/97/57/958129757.db2.gz	GTBWGYMLCUYORU-GMTAPVOTSA-N	-1	0	250.298	0.904	20	30		CCEDRM
C#CCN(CC(=O)[O-])C(=O)c1cc(CO)c(C)o1	ZINC001588416513	958164866	/nfs/dbraw/zinc/16/48/66/958164866.db2.gz	QBPJPFLAOWRSNG-UHFFFAOYSA-N	-1	0	251.238	0.240	20	30		CCEDRM
C#CCN(CC(=O)[O-])C(=O)[C@@H](C)NC(=O)OC(C)(C)C	ZINC001588417286	958169403	/nfs/dbraw/zinc/16/94/03/958169403.db2.gz	GMXJCVVGMJZRNW-SECBINFHSA-N	-1	0	284.312	0.446	20	30		CCEDRM
C#CCN(CC(=O)[O-])C(=O)c1cc(Br)n[nH]1	ZINC001588417470	958174373	/nfs/dbraw/zinc/17/43/73/958174373.db2.gz	PUODESYFZMXFAX-UHFFFAOYSA-N	-1	0	286.085	0.332	20	30		CCEDRM
C#CCN(CC(=O)[O-])C(=O)Nc1nnc(C2CC2)s1	ZINC001588417579	958175681	/nfs/dbraw/zinc/17/56/81/958175681.db2.gz	XCESVMIORDDYAP-UHFFFAOYSA-N	-1	0	280.309	0.967	20	30		CCEDRM
C#CCN(CC(=O)[O-])C(=O)c1ncc(OC)cc1F	ZINC001588418402	958179010	/nfs/dbraw/zinc/17/90/10/958179010.db2.gz	DRRYISXILDDCMV-UHFFFAOYSA-N	-1	0	266.228	0.389	20	30		CCEDRM
C#CCN(CC(=O)[O-])C(=O)c1cccnc1OCC(F)F	ZINC001588419204	958194098	/nfs/dbraw/zinc/19/40/98/958194098.db2.gz	XMSQLJZRKKWVQT-UHFFFAOYSA-N	-1	0	298.245	0.886	20	30		CCEDRM
C#CCN(CC(=O)[O-])CC(=O)NC(=O)Nc1ccccc1	ZINC001588419711	958195506	/nfs/dbraw/zinc/19/55/06/958195506.db2.gz	BSMTUWIMCHEFDK-UHFFFAOYSA-N	-1	0	289.291	0.355	20	30		CCEDRM
C#CCN(CC(=O)[O-])[C@H](C)C(=O)Nc1ccnn1C(C)C	ZINC001588420268	958201804	/nfs/dbraw/zinc/20/18/04/958201804.db2.gz	SSKBGFOWCKZKMV-LLVKDONJSA-N	-1	0	292.339	0.811	20	30		CCEDRM
C#CCN(CC(=O)[O-])Cc1ccc(/C=C/C(=O)OC)o1	ZINC001588424247	958214387	/nfs/dbraw/zinc/21/43/87/958214387.db2.gz	LZGZWJYLERQHCA-VOTSOKGWSA-N	-1	0	277.276	0.986	20	30		CCEDRM
C#CCN(CC(=O)[O-])c1nnc(CC)n1CC1CC1	ZINC001588427314	958243475	/nfs/dbraw/zinc/24/34/75/958243475.db2.gz	TYLWMUUMFNSZHD-UHFFFAOYSA-N	-1	0	262.313	0.775	20	30		CCEDRM
C#CCN1CCC[C@H](NC(=O)[C@H]2CC[C@H]2C(=O)[O-])C1	ZINC001588430770	958260318	/nfs/dbraw/zinc/26/03/18/958260318.db2.gz	OJMQVMJILCGCGF-SDDRHHMPSA-N	-1	0	264.325	0.311	20	30		CCEDRM
C#CCOCCN(C)C(=O)[C@]1(C(=O)[O-])CC1(C)C	ZINC001588431008	958264050	/nfs/dbraw/zinc/26/40/50/958264050.db2.gz	JFJYHYCFEUMPTF-ZDUSSCGKSA-N	-1	0	253.298	0.596	20	30		CCEDRM
C#CCn1cc(CNC(=O)[C@]2(C(=O)[O-])CC=CCC2)cn1	ZINC001588433139	958293230	/nfs/dbraw/zinc/29/32/30/958293230.db2.gz	KWSWLAHOTTVAKG-HNNXBMFYSA-N	-1	0	287.319	0.944	20	30		CCEDRM
C#CCOc1cccc(NC(=O)[C@H](OC)C(=O)[O-])c1	ZINC001588433381	958295369	/nfs/dbraw/zinc/29/53/69/958295369.db2.gz	LDHZBILSACWDHA-NSHDSACASA-N	-1	0	263.249	0.737	20	30		CCEDRM
C#Cc1cccc(NC(=O)CN(C)C(=O)C(=O)[O-])c1	ZINC001588439932	958325940	/nfs/dbraw/zinc/32/59/40/958325940.db2.gz	WALYMVNETQDYSH-UHFFFAOYSA-N	-1	0	260.249	0.149	20	30		CCEDRM
C=C(CO)C(=O)N1Cc2ccccc2[C@H](C(=O)[O-])C1	ZINC001588445536	958373488	/nfs/dbraw/zinc/37/34/88/958373488.db2.gz	KKXWRXBMYFUCNY-GFCCVEGCSA-N	-1	0	261.277	0.746	20	30		CCEDRM
C=C[C@@H](C(=O)OC)N1CC[C@@](COC)(C(=O)[O-])C1	ZINC001588450395	958391899	/nfs/dbraw/zinc/39/18/99/958391899.db2.gz	IMEMDBFXFHNGTN-JOYOIKCWSA-N	-1	0	257.286	0.137	20	30		CCEDRM
C=CC[C@H](C)NC(=O)N[C@H]1CCCCN(CC(=O)[O-])C1=O	ZINC001588452769	958427098	/nfs/dbraw/zinc/42/70/98/958427098.db2.gz	JLQSHBXZEICELO-QWRGUYRKSA-N	-1	0	297.355	0.716	20	30		CCEDRM
C=C[C@@H]1CCCCN1C(=O)[C@@H]1CCCN(CC(=O)[O-])C1=O	ZINC001588452951	958430196	/nfs/dbraw/zinc/43/01/96/958430196.db2.gz	SMAMXKRQLBKOOS-VXGBXAGGSA-N	-1	0	294.351	0.877	20	30		CCEDRM
C=CC[C@H](CO)NC(=O)[C@@H](C(=O)[O-])C1CCCC1	ZINC001588453122	958431728	/nfs/dbraw/zinc/43/17/28/958431728.db2.gz	OAXQLGYHJXQWCR-MNOVXSKESA-N	-1	0	255.314	0.931	20	30		CCEDRM
C=CC[C@H](NC(=O)C1(C(=O)[O-])CCC1)C(=O)OCC	ZINC001588453162	958433670	/nfs/dbraw/zinc/43/36/70/958433670.db2.gz	QZOPJHLODWKXSS-VIFPVBQESA-N	-1	0	269.297	0.865	20	30		CCEDRM
C=CC[C@H]1CCN1C(=O)C(=O)Nc1cccnc1C(=O)[O-]	ZINC001588456919	958439792	/nfs/dbraw/zinc/43/97/92/958439792.db2.gz	AAVCARPKWTYLFD-VIFPVBQESA-N	-1	0	289.291	0.895	20	30		CCEDRM
C=CCC[C@H](CO)NC(=O)N[C@H]1CC[C@@H](C(=O)[O-])C1	ZINC001588457367	958449453	/nfs/dbraw/zinc/44/94/53/958449453.db2.gz	WQONRJJYSBZFOY-OUAUKWLOSA-N	-1	0	270.329	0.866	20	30		CCEDRM
C=CCC1(C(=O)OCC(=O)NCC(=O)[O-])CCCC1	ZINC001588457669	958452656	/nfs/dbraw/zinc/45/26/56/958452656.db2.gz	ITODAQQJYGGUAI-UHFFFAOYSA-N	-1	0	269.297	0.867	20	30		CCEDRM
C=CCCCC(=O)N1CCS(=O)(=O)C[C@H]1C(=O)[O-]	ZINC001588458876	958467524	/nfs/dbraw/zinc/46/75/24/958467524.db2.gz	WKQGNZKBUSZQPH-VIFPVBQESA-N	-1	0	275.326	0.053	20	30		CCEDRM
C=CCN1CC[C@@H](N(C)C(=O)[C@]2(C(=O)[O-])C[C@H]2C)C1=O	ZINC001588464461	958491804	/nfs/dbraw/zinc/49/18/04/958491804.db2.gz	RLJBHSSQAYIIMF-RULNRJAQSA-N	-1	0	280.324	0.343	20	30		CCEDRM
C=CCn1c([C@H](O)CC)nnc1N1CC[C@H](C(=O)[O-])C1	ZINC001588470655	958529244	/nfs/dbraw/zinc/52/92/44/958529244.db2.gz	QQZBXTDIEKTLQJ-VHSXEESVSA-N	-1	0	280.328	0.818	20	30		CCEDRM
C=CCn1c([C@@H](C)CO)nnc1N1CC[C@@](C)(C(=O)[O-])C1	ZINC001588470546	958529364	/nfs/dbraw/zinc/52/93/64/958529364.db2.gz	QHGGVCWREFHANR-IINYFYTJSA-N	-1	0	294.355	0.861	20	30		CCEDRM
C=CCn1c([C@H](O)COC)nnc1N1CC[C@H](C(=O)[O-])C1	ZINC001588472133	958540555	/nfs/dbraw/zinc/54/05/55/958540555.db2.gz	JWWMPGVGWHEJRF-VHSXEESVSA-N	-1	0	296.327	0.055	20	30		CCEDRM
C=CCn1c(CO)nnc1N1CC[C@H](C)[C@H](C(=O)[O-])C1	ZINC001588472622	958545238	/nfs/dbraw/zinc/54/52/38/958545238.db2.gz	QDDSBSKUUYFALN-VHSXEESVSA-N	-1	0	280.328	0.503	20	30		CCEDRM
C=CCn1cc(CNC(=O)N[C@H]2C[C@@H](C(=O)[O-])C2)nn1	ZINC001588474623	958557098	/nfs/dbraw/zinc/55/70/98/958557098.db2.gz	KXMOCOAQQJTVQS-DTORHVGOSA-N	-1	0	279.300	0.127	20	30		CCEDRM
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CC#CC[C@H](CO)NC(=O)N[C@@H]1CC[C@H](C(=O)[O-])C1	ZINC001588478955	958575009	/nfs/dbraw/zinc/57/50/09/958575009.db2.gz	QPBPRZGHMKSIPO-HBNTYKKESA-N	-1	0	268.313	0.313	20	30		CCEDRM
C[C@](C#N)(CC(=O)[O-])C(=O)N[C@@H]1C[C@H]1C1CCOCC1	ZINC001573363539	958607951	/nfs/dbraw/zinc/60/79/51/958607951.db2.gz	JZEGKEAAUZNYBM-MISXGVKJSA-N	-1	0	280.324	0.922	20	30		CCEDRM
C[C@@](C#N)(CC(=O)[O-])C(=O)NCCC1(CO)CC1	ZINC001573363745	958609820	/nfs/dbraw/zinc/60/98/20/958609820.db2.gz	LKHSLCSVUKNVNS-NSHDSACASA-N	-1	0	254.286	0.270	20	30		CCEDRM
C[C@@H](C(=O)[O-])N(c1cnc(C#N)c(C#N)n1)C1CC1	ZINC001573381042	958658770	/nfs/dbraw/zinc/65/87/70/958658770.db2.gz	APWNGFXVSGFHJX-ZETCQYMHSA-N	-1	0	257.253	0.662	20	30		CCEDRM
CC(C)(C)[C@@H](C#N)NC(=O)c1cccn(CC(=O)[O-])c1=O	ZINC001573391232	958701782	/nfs/dbraw/zinc/70/17/82/958701782.db2.gz	UMNLSSBDJHUZCX-SNVBAGLBSA-N	-1	0	291.307	0.601	20	30		CCEDRM
C[C@](C#N)(CC(=O)[O-])C(=O)N1CCC2=C(CCC(=O)N2)C1	ZINC001588536369	958933765	/nfs/dbraw/zinc/93/37/65/958933765.db2.gz	WUDZFHPBPXAHIG-CQSZACIVSA-N	-1	0	291.307	0.387	20	30		CCEDRM
C[C@](C#N)(CC(=O)[O-])C(=O)N[C@H]1CC(=O)N(CC2CC2)C1	ZINC001588538670	958944008	/nfs/dbraw/zinc/94/40/08/958944008.db2.gz	MGEKGUHYFQGMCQ-IINYFYTJSA-N	-1	0	293.323	0.118	20	30		CCEDRM
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C#CC[C@H](NC(=O)[C@@H]1CC(c2ccccc2)=NO1)C(=O)[O-]	ZINC000149802476	959026893	/nfs/dbraw/zinc/02/68/93/959026893.db2.gz	GNFNHBFHVNDOLL-AAEUAGOBSA-N	-1	0	286.287	0.772	20	30		CCEDRM
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C#CC[C@@H](NC(=O)c1cccc(F)c1N)C(=O)[O-]	ZINC000161429732	959185708	/nfs/dbraw/zinc/18/57/08/959185708.db2.gz	HUIMJJATEMRMDE-SECBINFHSA-N	-1	0	250.229	0.614	20	30		CCEDRM
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Cc1cc(C#N)ccc1CN1CCNC(=O)[C@@H]1CC(=O)[O-]	ZINC000166108045	959301518	/nfs/dbraw/zinc/30/15/18/959301518.db2.gz	GULUNBPVRIEPFA-ZDUSSCGKSA-N	-1	0	287.319	0.642	20	30		CCEDRM
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CC(C)(C#N)OC(=O)[C@@H]1CCCN(CC(=O)[O-])C1=O	ZINC001588607560	959489913	/nfs/dbraw/zinc/48/99/13/959489913.db2.gz	KVCDOZJGHIREPM-MRVPVSSYSA-N	-1	0	268.269	0.155	20	30		CCEDRM
CC(C)(C#N)CNC(=O)[C@@H]1CO[C@@H](CCC(=O)[O-])C1	ZINC001588607872	959496754	/nfs/dbraw/zinc/49/67/54/959496754.db2.gz	WTPAWIKXJOGZDA-UWVGGRQHSA-N	-1	0	268.313	0.922	20	30		CCEDRM
Cc1c(C#N)c(NC(=O)[C@@H]2CC[C@@H]2C(=O)[O-])nn1C	ZINC001594253314	959632458	/nfs/dbraw/zinc/63/24/58/959632458.db2.gz	WYCBOYWPYBULMT-SFYZADRCSA-N	-1	0	262.269	0.650	20	30		CCEDRM
CC1(C#N)CCN(C(=O)c2cn(CC(=O)[O-])nn2)CC1	ZINC001573644488	959634776	/nfs/dbraw/zinc/63/47/76/959634776.db2.gz	ZVUUVLOHNGTPTH-UHFFFAOYSA-N	-1	0	277.284	0.129	20	30		CCEDRM
C[C@H](CN(C)S(=O)(=O)c1cccnc1C#N)C(=O)[O-]	ZINC000235480169	960441373	/nfs/dbraw/zinc/44/13/73/960441373.db2.gz	ZENVHMCESXGSTD-MRVPVSSYSA-N	-1	0	283.309	0.294	20	30		CCEDRM
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C[C@H](NS(=O)(=O)c1cc([N+](=O)[O-])ccc1C#N)C(=O)[O-]	ZINC001574289117	960671393	/nfs/dbraw/zinc/67/13/93/960671393.db2.gz	BFSYVQQQYDCILF-LURJTMIESA-N	-1	0	299.264	0.218	20	30		CCEDRM
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Cc1[nH]nc(NC(=O)[C@H]2CO[C@H](CCC(=O)[O-])C2)c1C#N	ZINC001574416194	961317538	/nfs/dbraw/zinc/31/75/38/961317538.db2.gz	UZWRTUWAGXQBHE-RKDXNWHRSA-N	-1	0	292.295	0.798	20	30		CCEDRM
CC(C)[C@H](C(=O)[O-])C(=O)N1CCN(CC#N)CC1	ZINC001588803267	961442296	/nfs/dbraw/zinc/44/22/96/961442296.db2.gz	SDVKOSUXWHJKPI-JTQLQIEISA-N	-1	0	253.302	0.011	20	30		CCEDRM
CC(C)[C@H](C(=O)[O-])C(=O)OCC(=O)N(C)C(C)(C)C#N	ZINC001588813975	961545224	/nfs/dbraw/zinc/54/52/24/961545224.db2.gz	NVNHQHGOMWXGAW-SNVBAGLBSA-N	-1	0	284.312	0.647	20	30		CCEDRM
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CC(C)[C@@H](CO)CNC(=O)[C@@](C)(C#N)CC(=O)[O-]	ZINC001588833193	961730477	/nfs/dbraw/zinc/73/04/77/961730477.db2.gz	HTRGACPYXQVSNX-BXKDBHETSA-N	-1	0	256.302	0.372	20	30		CCEDRM
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COC(=O)CCCCCNC(=O)[C@@](C)(C#N)CC(=O)[O-]	ZINC001574055874	962180820	/nfs/dbraw/zinc/18/08/20/962180820.db2.gz	REHWROHWTWBFDZ-CYBMUJFWSA-N	-1	0	284.312	0.841	20	30		CCEDRM
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C=C(CCC(=O)[O-])C(=O)N[C@@H](CO)[C@H](O)C1CCCCC1	ZINC001573332257	962827608	/nfs/dbraw/zinc/82/76/08/962827608.db2.gz	GCOJQHKAPADPMF-GXTWGEPZSA-N	-1	0	299.367	0.826	20	30		CCEDRM
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Cn1cc(C(=O)[O-])cc1S(=O)(=O)NCC1(C#N)CC1	ZINC001571019822	963335443	/nfs/dbraw/zinc/33/54/43/963335443.db2.gz	KJVVXSBSDXKVMG-UHFFFAOYSA-N	-1	0	283.309	0.305	20	30		CCEDRM
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C#CCN(CC(=O)[O-])C(=O)NCc1ccc(C#N)cc1	ZINC000092491370	967597028	/nfs/dbraw/zinc/59/70/28/967597028.db2.gz	NSKYUPCENDYEHD-UHFFFAOYSA-N	-1	0	271.276	0.788	20	30		CCEDRM
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C[C@@](O)(CNC(=O)c1cc(C#N)ccc1F)C(=O)[O-]	ZINC001593406908	970107080	/nfs/dbraw/zinc/10/70/80/970107080.db2.gz	HBSSLVKGBMQGOM-GFCCVEGCSA-N	-1	0	266.228	0.263	20	30		CCEDRM
N#Cc1ccc(CNC(=O)c2cnc(C(=O)[O-])cn2)nc1	ZINC001608207371	970402507	/nfs/dbraw/zinc/40/25/07/970402507.db2.gz	GRWFINSLWABPAL-UHFFFAOYSA-N	-1	0	283.247	0.371	20	30		CCEDRM
C[C@](C#N)(CC(=O)[O-])C(=O)NC[C@H]1CCC[C@@H]1O	ZINC001609692879	970450333	/nfs/dbraw/zinc/45/03/33/970450333.db2.gz	AWFNESCSPUEECL-VDDIYKPWSA-N	-1	0	254.286	0.268	20	30		CCEDRM
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C=CC[C@@H](CO)NS(=O)(=O)c1scnc1C(=O)[O-]	ZINC000320135085	970619849	/nfs/dbraw/zinc/61/98/49/970619849.db2.gz	KYPQEHUIERUVQJ-LURJTMIESA-N	-1	0	292.338	0.057	20	30		CCEDRM
C=CC[C@@H](CO)NC(=O)Cc1ccccc1C(=O)[O-]	ZINC000320431937	970663428	/nfs/dbraw/zinc/66/34/28/970663428.db2.gz	HJDJJFOYCMNVLH-NSHDSACASA-N	-1	0	263.293	0.981	20	30		CCEDRM
C[C@@]1(C(=O)[O-])CCN(C(=O)C(=O)N2CCC[C@@H](C#N)C2)C1	ZINC001603297496	972571135	/nfs/dbraw/zinc/57/11/35/972571135.db2.gz	ZXJBWWBNPUZSBG-IINYFYTJSA-N	-1	0	293.323	0.072	20	30		CCEDRM
Cc1cc(C(=O)Nc2ncn(CC(=O)[O-])n2)ncc1C#N	ZINC001605131451	972792096	/nfs/dbraw/zinc/79/20/96/972792096.db2.gz	LLEBHHHBPBMSIQ-UHFFFAOYSA-N	-1	0	286.251	0.190	20	30		CCEDRM
COC(=O)CCN(CC#N)C(=O)C1(C(=O)[O-])CCC1	ZINC001604303964	972953546	/nfs/dbraw/zinc/95/35/46/972953546.db2.gz	HZXCXINNRCKEAD-UHFFFAOYSA-N	-1	0	268.269	0.157	20	30		CCEDRM
COCC#CC(=O)NC[C@@](C)(C(=O)[O-])c1ccccc1	ZINC001604505526	973436177	/nfs/dbraw/zinc/43/61/77/973436177.db2.gz	ZFQSDHVOVCHJJG-OAHLLOKOSA-N	-1	0	275.304	0.795	20	30		CCEDRM
CC[C@H](C(=O)[O-])N(C)CC(=O)N[C@@](C)(C#N)C(C)C	ZINC001603498745	973462811	/nfs/dbraw/zinc/46/28/11/973462811.db2.gz	XNJBLIPKFMEVJN-MFKMUULPSA-N	-1	0	269.345	0.836	20	30		CCEDRM
O=C([O-])CN(C(=O)C#CC1CC1)C1CCOCC1	ZINC001606216184	973468872	/nfs/dbraw/zinc/46/88/72/973468872.db2.gz	MXHDRJUXCQICMF-UHFFFAOYSA-N	-1	0	251.282	0.492	20	30		CCEDRM
Cn1ccnc1[C@H](C#N)C(=O)[C@@H]1CO[C@H](CCC(=O)[O-])C1	ZINC001605511302	973686040	/nfs/dbraw/zinc/68/60/40/973686040.db2.gz	GIEURGBPQKYVKZ-HBNTYKKESA-N	-1	0	291.307	0.866	20	30		CCEDRM
COCCOC[C@H](C)NC(=O)[C@@](C)(C#N)CC(=O)[O-]	ZINC001604617937	973737502	/nfs/dbraw/zinc/73/75/02/973737502.db2.gz	NXSKNVUBNHKKQK-JOYOIKCWSA-N	-1	0	272.301	0.159	20	30		CCEDRM
C#C[C@H](C)NC(=O)N1CCC2(C[C@@H]2C(=O)[O-])CC1	ZINC000405380585	973859282	/nfs/dbraw/zinc/85/92/82/973859282.db2.gz	GNDKYFHKZDPXIE-VHSXEESVSA-N	-1	0	250.298	0.904	20	30		CCEDRM
N#CC[C@]1(O)CCN(C(=O)c2ccc(C(=O)[O-])cc2)C1	ZINC001605581721	973861292	/nfs/dbraw/zinc/86/12/92/973861292.db2.gz	JNLVLZRFIHGPHR-AWEZNQCLSA-N	-1	0	274.276	0.875	20	30		CCEDRM
N#CCC1(O)CN(C(=O)C2(C(=O)[O-])CCCCCC2)C1	ZINC001605582284	973865917	/nfs/dbraw/zinc/86/59/17/973865917.db2.gz	YXSHNRBCZSGRLS-UHFFFAOYSA-N	-1	0	280.324	0.899	20	30		CCEDRM
N#CC1(CNC(=O)N2CCC[C@H](C(=O)[O-])C2)CCOCC1	ZINC001605582897	973868912	/nfs/dbraw/zinc/86/89/12/973868912.db2.gz	IWIQTWIFYIFTQS-NSHDSACASA-N	-1	0	295.339	0.813	20	30		CCEDRM
N#CCN1CCC(CNC(=O)[C@H](C(=O)[O-])C2CC2)CC1	ZINC001605585828	973877820	/nfs/dbraw/zinc/87/78/20/973877820.db2.gz	JRKXPRGUHDDIRS-GFCCVEGCSA-N	-1	0	279.340	0.449	20	30		CCEDRM
CC[C@]1(O)CCN(C(=O)[C@](C)(C#N)CC(=O)[O-])C1	ZINC001603617326	973901458	/nfs/dbraw/zinc/90/14/58/973901458.db2.gz	XHHJGIFOOSFWCN-RYUDHWBXSA-N	-1	0	254.286	0.364	20	30		CCEDRM
N#Cc1cc(N2C[C@H](O)C[C@H]2C(=O)[O-])c([N+](=O)[O-])s1	ZINC000407146681	973919861	/nfs/dbraw/zinc/91/98/61/973919861.db2.gz	NWCPPCBDBQOFLK-XRGYYRRGSA-N	-1	0	283.265	0.552	20	30		CCEDRM
N#Cc1ccc(NCCOCCOCC(=O)[O-])nc1	ZINC001605612011	973922673	/nfs/dbraw/zinc/92/26/73/973922673.db2.gz	DKWANNYXQZSNPX-UHFFFAOYSA-N	-1	0	265.269	0.483	20	30		CCEDRM
CCOC(=O)c1nc(NC(=O)[C@@](C)(C#N)CC(=O)[O-])c[nH]1	ZINC001603819805	974306431	/nfs/dbraw/zinc/30/64/31/974306431.db2.gz	ZKPZBMBFNXEQNF-GFCCVEGCSA-N	-1	0	294.267	0.529	20	30		CCEDRM
CC[C@@H](C#N)NC(=O)[C@H]1CO[C@@H](CCC(=O)[O-])C1	ZINC001603901634	974403770	/nfs/dbraw/zinc/40/37/70/974403770.db2.gz	QVIAWICIBYHITH-UTLUCORTSA-N	-1	0	254.286	0.675	20	30		CCEDRM
CC[C@@H](CC#N)NS(=O)(=O)c1ccc(C(=O)[O-])nc1	ZINC001595030220	979165080	/nfs/dbraw/zinc/16/50/80/979165080.db2.gz	LTHBOZALJSVFEL-QMMMGPOBSA-N	-1	0	283.309	0.750	20	30		CCEDRM
CC[C@H](C)[C@@H](NC(=O)COC(=O)[C@H](C)CC#N)C(=O)[O-]	ZINC001594898458	982348883	/nfs/dbraw/zinc/34/88/83/982348883.db2.gz	XJPYKDSASCYOQR-IQJOONFLSA-N	-1	0	284.312	0.695	20	30		CCEDRM
CCCN(CC(=O)[O-])C(=O)[C@@H](O)c1ccc(C#N)cc1	ZINC001595846523	982775493	/nfs/dbraw/zinc/77/54/93/982775493.db2.gz	KXARLUFWSZHGMW-ZDUSSCGKSA-N	-1	0	276.292	0.915	20	30		CCEDRM
CC#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H](C)C(=O)[O-]	ZINC001573497012	983048687	/nfs/dbraw/zinc/04/86/87/983048687.db2.gz	WGGJHZOPEPMFRZ-VHSXEESVSA-N	-1	0	298.339	0.882	20	30		CCEDRM
C#C[C@](C)(CC)NS(=O)(=O)c1cc(C(=O)[O-])cn1C	ZINC001588366929	983296162	/nfs/dbraw/zinc/29/61/62/983296162.db2.gz	CBMNLGMBODXFIG-GFCCVEGCSA-N	-1	0	284.337	0.804	20	30		CCEDRM
C#C[C@H](C)N(C)c1cc(C)nc2nc(C(=O)[O-])nn21	ZINC001588368205	983304677	/nfs/dbraw/zinc/30/46/77/983304677.db2.gz	HXRSTXLBPCTDMV-QMMMGPOBSA-N	-1	0	259.269	0.589	20	30		CCEDRM
C#C[C@@H](C)NS(=O)(=O)c1cc(C)c(C(=O)[O-])o1	ZINC001588368942	983309827	/nfs/dbraw/zinc/30/98/27/983309827.db2.gz	WCDQMGSVVOJTRR-SSDOTTSWSA-N	-1	0	257.267	0.586	20	30		CCEDRM
C#C[C@H](NC(=O)NC/C=C(/C)C(=O)[O-])[C@@H]1CCCO1	ZINC001588372103	983328187	/nfs/dbraw/zinc/32/81/87/983328187.db2.gz	DDLZUKIEZFMONV-PNEDHVDMSA-N	-1	0	266.297	0.497	20	30		CCEDRM
C#C[C@@H](NC(=O)N1CCC(C(=O)[O-])CC1)C1CCOCC1	ZINC001588372653	983333234	/nfs/dbraw/zinc/33/32/34/983333234.db2.gz	QAVCQSCPGWYISC-CYBMUJFWSA-N	-1	0	294.351	0.921	20	30		CCEDRM
C#C[C@@H](NC(=O)NCc1ccc(C(=O)[O-])o1)[C@H]1CCCO1	ZINC001588373190	983337448	/nfs/dbraw/zinc/33/74/48/983337448.db2.gz	BJVJQTSJNLRKEI-GHMZBOCLSA-N	-1	0	292.291	0.958	20	30		CCEDRM
C#CC1(F)CN(C(=O)C(=O)Nc2ccsc2C(=O)[O-])C1	ZINC001588376226	983350857	/nfs/dbraw/zinc/35/08/57/983350857.db2.gz	QXRWUYMXTIOPKR-UHFFFAOYSA-N	-1	0	296.279	0.569	20	30		CCEDRM
C#CC1(F)CN(C(=O)Nc2ccc(C(=O)[O-])nn2)C1	ZINC001588376870	983354715	/nfs/dbraw/zinc/35/47/15/983354715.db2.gz	ZCFJPYILJZWEQF-UHFFFAOYSA-N	-1	0	264.216	0.364	20	30		CCEDRM
C#CC1(O)CCN(Cc2noc(CCCC(=O)[O-])n2)CC1	ZINC001588379504	983364384	/nfs/dbraw/zinc/36/43/84/983364384.db2.gz	JLOMEEJTYFMSHW-UHFFFAOYSA-N	-1	0	293.323	0.437	20	30		CCEDRM
C#CC1(O)CN(C(=O)c2[nH]c(C)c(C(=O)[O-])c2CCC)C1	ZINC001588379773	983365443	/nfs/dbraw/zinc/36/54/43/983365443.db2.gz	QWJUYLPSEBHTDT-UHFFFAOYSA-N	-1	0	290.319	0.794	20	30		CCEDRM
C#CC1(O)CN(C(=O)Nc2ccc(C(=O)[O-])c(F)c2)C1	ZINC001588380052	983367137	/nfs/dbraw/zinc/36/71/37/983367137.db2.gz	ZSHFSTPPLYMPHW-UHFFFAOYSA-N	-1	0	278.239	0.736	20	30		CCEDRM
C#C[C@@H]1CCCCN1C(=O)CN1CCC[C@H](C(=O)[O-])C1=O	ZINC001588382168	983369544	/nfs/dbraw/zinc/36/95/44/983369544.db2.gz	IGZIXFKZTBINOF-NEPJUHHUSA-N	-1	0	292.335	0.324	20	30		CCEDRM
C#CC1(O)CN(Cc2nc3cc(C(=O)[O-])ccc3c(=O)[nH]2)C1	ZINC001588382359	983370452	/nfs/dbraw/zinc/37/04/52/983370452.db2.gz	NHBZSOOLNHBUFK-UHFFFAOYSA-N	-1	0	299.286	0.214	20	30		CCEDRM
C#CC1(O)CN(Cc2cc(C(=O)[O-])ccc2[N+](=O)[O-])C1	ZINC001588382363	983371030	/nfs/dbraw/zinc/37/10/30/983371030.db2.gz	NNNVLQJMPCQTBX-UHFFFAOYSA-N	-1	0	276.248	0.473	20	30		CCEDRM
C#C[C@H]1COCCN1S(=O)(=O)CCCCCC(=O)[O-]	ZINC001588383481	983381620	/nfs/dbraw/zinc/38/16/20/983381620.db2.gz	AXBCLERLIOEKCG-NSHDSACASA-N	-1	0	289.353	0.295	20	30		CCEDRM
C#CC[C@@H](NC(=O)[C@@H](C(=O)OCC)C(C)C)C(=O)[O-]	ZINC001588394480	983402808	/nfs/dbraw/zinc/40/28/08/983402808.db2.gz	LKSWIWVBTOGEQF-ZJUUUORDSA-N	-1	0	269.297	0.414	20	30		CCEDRM
C#CC[C@H](NC(=O)[C@](C)(O)c1ccc(F)cc1)C(=O)[O-]	ZINC001588399856	983417083	/nfs/dbraw/zinc/41/70/83/983417083.db2.gz	XSYBVLFDHHONSR-SMDDNHRTSA-N	-1	0	279.267	0.626	20	30		CCEDRM
C#CC[C@H](NC(=O)/C=C\c1cc(C(=O)OC)co1)C(=O)[O-]	ZINC001588404892	983419389	/nfs/dbraw/zinc/41/93/89/983419389.db2.gz	BFVJHQHDAZBDDV-GZTOBOFZSA-N	-1	0	291.259	0.672	20	30		CCEDRM
C#CC[C@H](NC(=O)Cn1nc(C)cc1C(F)F)C(=O)[O-]	ZINC001588406806	983426361	/nfs/dbraw/zinc/42/63/61/983426361.db2.gz	AEDHAJPHTPQLBN-QMMMGPOBSA-N	-1	0	285.250	0.722	20	30		CCEDRM
C#CC[C@H](NC(=O)[C@@H]1CCCN(C(C)(C)C)C1=O)C(=O)[O-]	ZINC001588406970	983426882	/nfs/dbraw/zinc/42/68/82/983426882.db2.gz	UKFYLMXYYOBELR-QWRGUYRKSA-N	-1	0	294.351	0.616	20	30		CCEDRM
C#CC[C@H](NC(=O)/C=C(\C)c1cnccn1)C(=O)[O-]	ZINC001588407028	983427078	/nfs/dbraw/zinc/42/70/78/983427078.db2.gz	UTGYTMKUHHKBNV-PCYYEKQGSA-N	-1	0	259.265	0.473	20	30		CCEDRM
C#CC[C@H](NC(=O)[C@H]1CC[C@H]1C(=O)OCC)C(=O)[O-]	ZINC001588407863	983429375	/nfs/dbraw/zinc/42/93/75/983429375.db2.gz	PZNULZZUSGOIIW-AEJSXWLSSA-N	-1	0	267.281	0.168	20	30		CCEDRM
C#CC[C@H](NC(=O)c1c(C)coc1CC(=O)[O-])C(=O)OC	ZINC001588413605	983431452	/nfs/dbraw/zinc/43/14/52/983431452.db2.gz	CQJIDZUMVOMNLH-VIFPVBQESA-N	-1	0	293.275	0.510	20	30		CCEDRM
C#CC[C@@H](NC(=O)c1cc(-c2ccn(C)c2)n[nH]1)C(=O)[O-]	ZINC001588414573	983434511	/nfs/dbraw/zinc/43/45/11/983434511.db2.gz	WDAXTKPDBWKNDO-SNVBAGLBSA-N	-1	0	286.291	0.622	20	30		CCEDRM
C#CC[C@H](NC(=O)c1cnc(OCC)cn1)C(=O)[O-]	ZINC001588416314	983436694	/nfs/dbraw/zinc/43/66/94/983436694.db2.gz	MOMSCKIGANEKAE-QMMMGPOBSA-N	-1	0	263.253	0.082	20	30		CCEDRM
C#CC[C@H](NC(=O)c1csc(-c2ncc[nH]2)n1)C(=O)[O-]	ZINC001588421874	983443218	/nfs/dbraw/zinc/44/32/18/983443218.db2.gz	PGTVJFALEDTKKK-ZETCQYMHSA-N	-1	0	290.304	0.740	20	30		CCEDRM
C#CC[C@H](NCc1cc(C(=O)OCC)no1)C(=O)[O-]	ZINC001588423020	983449845	/nfs/dbraw/zinc/44/98/45/983449845.db2.gz	UMEXTPQVHWZJHQ-VIFPVBQESA-N	-1	0	266.253	0.417	20	30		CCEDRM
C#CC[C@@H](NS(=O)(=O)c1cc(N)ccc1C)C(=O)[O-]	ZINC001588423367	983452223	/nfs/dbraw/zinc/45/22/23/983452223.db2.gz	DLWGJKOEYVINRT-SNVBAGLBSA-N	-1	0	282.321	0.332	20	30		CCEDRM
C#CC[C@H](NS(=O)(=O)c1c(C)cccc1C#N)C(=O)[O-]	ZINC001588424717	983456346	/nfs/dbraw/zinc/45/63/46/983456346.db2.gz	ZPQUEVDRNNWEAS-NSHDSACASA-N	-1	0	292.316	0.622	20	30		CCEDRM
C#CCC1(O)CCN(C(=O)[C@@H](CC)C(=O)[O-])CC1	ZINC001588431924	983466410	/nfs/dbraw/zinc/46/64/10/983466410.db2.gz	REBQWZBMYHGCAA-SNVBAGLBSA-N	-1	0	253.298	0.474	20	30		CCEDRM
C#CCCOC(=O)N1C[C@H](C(=O)OC)CC[C@@H]1C(=O)[O-]	ZINC001588455489	983479828	/nfs/dbraw/zinc/47/98/28/983479828.db2.gz	NXNLMRAPTOINDZ-NXEZZACHSA-N	-1	0	283.280	0.485	20	30		CCEDRM
C#CCCOC(=O)N1C[C@H](C(=O)[O-])CC[C@H]1C(=O)OC	ZINC001588455679	983480612	/nfs/dbraw/zinc/48/06/12/983480612.db2.gz	QTFQMGVBHPGFII-ZJUUUORDSA-N	-1	0	283.280	0.485	20	30		CCEDRM
C#CCCS(=O)(=O)N[C@@H](CCCC=C)C(=O)[O-]	ZINC001588458540	983483357	/nfs/dbraw/zinc/48/33/57/983483357.db2.gz	OMAPYAVQNPKUCF-JTQLQIEISA-N	-1	0	259.327	0.739	20	30		CCEDRM
C#CCN(C)S(=O)(=O)c1ccc(C)cc1C(=O)[O-]	ZINC001588463768	983492469	/nfs/dbraw/zinc/49/24/69/983492469.db2.gz	KJXAZCRZXRAVDF-UHFFFAOYSA-N	-1	0	267.306	0.947	20	30		CCEDRM
C#CCNC(=O)[C@@H](C)N(C)Cc1ccc(C(=O)[O-])cn1	ZINC001588479632	983521030	/nfs/dbraw/zinc/52/10/30/983521030.db2.gz	WZYSDROHVAHIPO-SNVBAGLBSA-N	-1	0	275.308	0.350	20	30		CCEDRM
C#CCNC(=O)c1ccc(N2C[C@H]3[C@H](C(=O)[O-])[C@H]3C2)nc1	ZINC001588485284	983524917	/nfs/dbraw/zinc/52/49/17/983524917.db2.gz	KMNWKYGLPXSBRW-PJXYFTJBSA-N	-1	0	285.303	0.211	20	30		CCEDRM
C#CCO[C@H](C)C(=O)Nc1cc(C(=O)[O-])nn1C	ZINC001588490389	983532182	/nfs/dbraw/zinc/53/21/82/983532182.db2.gz	MCPNUGAGLYMEMM-SSDOTTSWSA-N	-1	0	251.242	0.095	20	30		CCEDRM
C#CCO[C@H](C)C(=O)OCC(=O)c1ccc(C(=O)[O-])o1	ZINC001588490678	983533749	/nfs/dbraw/zinc/53/37/49/983533749.db2.gz	VCUAFNSOMOXZIE-MRVPVSSYSA-N	-1	0	280.232	0.742	20	30		CCEDRM
C#CCOc1ccc(C(=O)O[C@H](COC)C(=O)[O-])cc1	ZINC001588497643	983540092	/nfs/dbraw/zinc/54/00/92/983540092.db2.gz	SKUKWQXOQAQFCC-GFCCVEGCSA-N	-1	0	278.260	0.955	20	30		CCEDRM
C#Cc1ccc(C(=O)Nc2cc(C(=O)[O-])n(C)n2)nc1	ZINC001588516606	983561649	/nfs/dbraw/zinc/56/16/49/983561649.db2.gz	RYZCCKYLAPAUQF-UHFFFAOYSA-N	-1	0	270.248	0.747	20	30		CCEDRM
C#Cc1cncc(C(=O)Nc2cc(C(=O)[O-])n(C)n2)c1	ZINC001588528740	983577835	/nfs/dbraw/zinc/57/78/35/983577835.db2.gz	FLKRIYZKUDXLBZ-UHFFFAOYSA-N	-1	0	270.248	0.747	20	30		CCEDRM
C#Cc1cncc(C(=O)N[C@H](Cc2c[nH]cn2)C(=O)[O-])c1	ZINC001588528759	983578213	/nfs/dbraw/zinc/57/82/13/983578213.db2.gz	GTUXWKHTTVIUBM-GFCCVEGCSA-N	-1	0	284.275	0.212	20	30		CCEDRM
C#Cc1cccnc1N1C[C@@H](C(=O)[O-])[C@H](C(=O)OC)C1	ZINC001588528793	983578345	/nfs/dbraw/zinc/57/83/45/983578345.db2.gz	HJMPGNJVCZMCFL-GHMZBOCLSA-N	-1	0	274.276	0.373	20	30		CCEDRM
C=C(C)C[C@H](CO)NC(=O)Nc1c(C(=O)[O-])cnn1C	ZINC001588534736	983586686	/nfs/dbraw/zinc/58/66/86/983586686.db2.gz	CJEYBGCKFUWGOZ-MRVPVSSYSA-N	-1	0	282.300	0.567	20	30		CCEDRM
C=C(C)C[C@H](C)C(=O)N(CCN1CCOCC1)CC(=O)[O-]	ZINC001588535181	983588216	/nfs/dbraw/zinc/58/82/16/983588216.db2.gz	FVJPHACWAJIDDS-ZDUSSCGKSA-N	-1	0	298.383	0.834	20	30		CCEDRM
C=C(C)C[C@H](C)C(=O)N1C[C@@H](O)C[C@H](C(=O)[O-])C1	ZINC001588535942	983591742	/nfs/dbraw/zinc/59/17/42/983591742.db2.gz	MTKBHTDOKLFHJY-DCAQKATOSA-N	-1	0	255.314	0.883	20	30		CCEDRM
C=C(C)C[C@H](NS(=O)(=O)Cc1ccon1)C(=O)[O-]	ZINC001588553983	983629312	/nfs/dbraw/zinc/62/93/12/983629312.db2.gz	WXSUFFNKJPGWFJ-VIFPVBQESA-N	-1	0	274.298	0.513	20	30		CCEDRM
C=C(C)CNC(=O)N1C[C@@H](C(=O)[O-])[C@H](C(=O)OC)C1	ZINC001588585351	983662953	/nfs/dbraw/zinc/66/29/53/983662953.db2.gz	NEPNHBLEAWVEGF-RKDXNWHRSA-N	-1	0	270.285	0.078	20	30		CCEDRM
C=C(CC(C)C)C(=O)N1C[C@H](O)C[C@H](C(=O)[O-])C1	ZINC001588606358	983697176	/nfs/dbraw/zinc/69/71/76/983697176.db2.gz	YTMVXQBGOAHAFF-WDEREUQCSA-N	-1	0	255.314	0.883	20	30		CCEDRM
C=C(CCC(=O)[O-])C(=O)N1CCO[C@H]([C@H](C)O)C1	ZINC001588615282	983711065	/nfs/dbraw/zinc/71/10/65/983711065.db2.gz	PIGZUERRZZUHBP-UWVGGRQHSA-N	-1	0	257.286	0.016	20	30		CCEDRM
C=C(CCC(=O)[O-])C(=O)N[C@H](C)/C=C\C(=O)OC	ZINC001588618934	983713898	/nfs/dbraw/zinc/71/38/98/983713898.db2.gz	FPNATLFJROCCAB-WILPJHFFSA-N	-1	0	255.270	0.641	20	30		CCEDRM
C=C(CCC(=O)[O-])C(=O)N[C@@H](C)CC[S@](C)=O	ZINC001588618966	983714183	/nfs/dbraw/zinc/71/41/83/983714183.db2.gz	GRJJHUOKJYZXHV-XYZCENFISA-N	-1	0	261.343	0.681	20	30		CCEDRM
C=C(CCC(=O)[O-])C(=O)N[C@@H](C)CO[C@@H]1CCOC1	ZINC001588619270	983716012	/nfs/dbraw/zinc/71/60/12/983716012.db2.gz	PKUQAIKJUITFQG-WDEREUQCSA-N	-1	0	271.313	0.718	20	30		CCEDRM
C=C(CCC(=O)[O-])C(=O)N1CCOC[C@H]1CCOC	ZINC001588619517	983717170	/nfs/dbraw/zinc/71/71/70/983717170.db2.gz	WMMKDAJSIOTXPC-LLVKDONJSA-N	-1	0	271.313	0.671	20	30		CCEDRM
C=C(CCC(=O)[O-])C(=O)N1CCOC[C@H]1CC(C)=O	ZINC001588619550	983717600	/nfs/dbraw/zinc/71/76/00/983717600.db2.gz	XGAWZTFKMXQYHC-LLVKDONJSA-N	-1	0	269.297	0.614	20	30		CCEDRM
C=C(CCC(=O)[O-])C(=O)N[C@@H](CCF)C(=O)OC	ZINC001588621518	983719781	/nfs/dbraw/zinc/71/97/81/983719781.db2.gz	FVEUFWMXIUXOJT-QMMMGPOBSA-N	-1	0	261.249	0.425	20	30		CCEDRM
C=C(CCC(=O)[O-])C(=O)N[C@@H](C[C@H]1CCCO1)C(=O)OC	ZINC001588622196	983722521	/nfs/dbraw/zinc/72/25/21/983722521.db2.gz	RABGJSYDVGFIRD-MNOVXSKESA-N	-1	0	299.323	0.634	20	30		CCEDRM
C=C(CCC(=O)[O-])C(=O)NC[C@@H]1CCOC[C@@H]1OC	ZINC001588624465	983732934	/nfs/dbraw/zinc/73/29/34/983732934.db2.gz	JSDSZDYZHJZWLG-QWRGUYRKSA-N	-1	0	271.313	0.575	20	30		CCEDRM
C=C(CCC(=O)[O-])C(=O)NCc1nc(N(C)C)no1	ZINC001588629847	983739923	/nfs/dbraw/zinc/73/99/23/983739923.db2.gz	KYAVSZAIMDNNMR-UHFFFAOYSA-N	-1	0	268.273	0.173	20	30		CCEDRM
C=C(CCC(=O)OC)C(=O)N[C@@H](C)/C=C\C(=O)[O-]	ZINC001588632841	983746484	/nfs/dbraw/zinc/74/64/84/983746484.db2.gz	BXBLPYNUOAYRGL-UDIARPCQSA-N	-1	0	255.270	0.641	20	30		CCEDRM
C=C(CCC(=O)[O-])C(=O)N=c1nc(C)[nH]n1CC	ZINC001588633906	983751388	/nfs/dbraw/zinc/75/13/88/983751388.db2.gz	UFPWTCUMQJNFQQ-UHFFFAOYSA-N	-1	0	252.274	0.388	20	30		CCEDRM
C=C1CC(C)(C(=O)NCCNc2ccnc(C(=O)[O-])n2)C1	ZINC001588643679	983767339	/nfs/dbraw/zinc/76/73/39/983767339.db2.gz	RCGSPPPGZLWDLR-UHFFFAOYSA-N	-1	0	290.323	0.481	20	30		CCEDRM
C=C[C@@H](C(=O)N[C@H](C(=O)[O-])[C@@H](C)O)c1ccccc1	ZINC001588664584	983801792	/nfs/dbraw/zinc/80/17/92/983801792.db2.gz	SHPNDTJFKCHWIY-JLLWLGSASA-N	-1	0	263.293	0.906	20	30		CCEDRM
C=C[C@@H](C(=O)OC)N1CCC2(C[C@@H]2C(=O)[O-])CC1	ZINC001588671728	983821938	/nfs/dbraw/zinc/82/19/38/983821938.db2.gz	HJTNINNPOMQVTC-ZJUUUORDSA-N	-1	0	253.298	0.901	20	30		CCEDRM
C=C[C@@H](C(=O)[O-])n1cc(CN2CCC[C@@H]2CO)nn1	ZINC001588672490	983825189	/nfs/dbraw/zinc/82/51/89/983825189.db2.gz	SXPLBYNAHSHKRJ-MNOVXSKESA-N	-1	0	266.301	0.047	20	30		CCEDRM
C=CC(C)(C)CC(=O)N[C@H](CC1OCCO1)C(=O)[O-]	ZINC001588673106	983828494	/nfs/dbraw/zinc/82/84/94/983828494.db2.gz	JFNFULCRHSRJLP-SECBINFHSA-N	-1	0	271.313	0.921	20	30		CCEDRM
C=C[C@@](C)(O)CC(=O)N(CCC(=O)[O-])CC(OC)OC	ZINC001588683750	983850560	/nfs/dbraw/zinc/85/05/60/983850560.db2.gz	DFKVVTAVGDTEKJ-CYBMUJFWSA-N	-1	0	289.328	0.236	20	30		CCEDRM
C=C[C@@](C)(O)CC(=O)N[C@H](C(=O)[O-])c1cccnc1	ZINC001588684335	983859037	/nfs/dbraw/zinc/85/90/37/983859037.db2.gz	OWLLXQGOLCCIPT-WCQYABFASA-N	-1	0	264.281	0.651	20	30		CCEDRM
C=C[C@H](CC)CC(=O)N1C[C@H](C(=O)OC)[C@H](C(=O)[O-])C1	ZINC001588690648	983875314	/nfs/dbraw/zinc/87/53/14/983875314.db2.gz	GOPAWMDHJKQDDS-MXWKQRLJSA-N	-1	0	283.324	0.921	20	30		CCEDRM
C=C[C@H](NCc1cccc(N2CCOCC2)n1)C(=O)[O-]	ZINC001588701684	983915559	/nfs/dbraw/zinc/91/55/59/983915559.db2.gz	WLJFPUXPXUEJLX-LBPRGKRZSA-N	-1	0	277.324	0.647	20	30		CCEDRM
C=C[C@H](O)c1nnc(N2CC[C@@](C)(C(=O)[O-])C2)n1C	ZINC001588704481	983924120	/nfs/dbraw/zinc/92/41/20/983924120.db2.gz	FCGCVFSYXKKTRO-QPUJVOFHSA-N	-1	0	266.301	0.336	20	30		CCEDRM
C=C[C@@H](O)C(=O)Nc1nc(COC)c(C(=O)[O-])s1	ZINC001588704901	983925518	/nfs/dbraw/zinc/92/55/18/983925518.db2.gz	IUALHJWXFQNKHA-ZCFIWIBFSA-N	-1	0	272.282	0.473	20	30		CCEDRM
C=C[C@H](OC(=O)[C@@H]1CCN(C(=O)CC)C1)C(=O)[O-]	ZINC001588710476	983932290	/nfs/dbraw/zinc/93/22/90/983932290.db2.gz	CLAACHKFLXBYEW-BDAKNGLRSA-N	-1	0	255.270	0.427	20	30		CCEDRM
C=C[C@@H](OC(=O)c1cn(C)nc1COC)C(=O)[O-]	ZINC001588712469	983944349	/nfs/dbraw/zinc/94/43/49/983944349.db2.gz	LWIHXBHAHCIGCZ-SECBINFHSA-N	-1	0	254.242	0.363	20	30		CCEDRM
C=C[C@@H](OC(=O)c1ccc(C(=O)OC)o1)C(=O)[O-]	ZINC001588712775	983946492	/nfs/dbraw/zinc/94/64/92/983946492.db2.gz	NFMDUESLYRTTGP-ZCFIWIBFSA-N	-1	0	254.194	0.862	20	30		CCEDRM
C=CCC(C)(C)C(=O)NC1CN(C(=O)[C@H]2C[C@H]2C(=O)[O-])C1	ZINC001588732248	984016693	/nfs/dbraw/zinc/01/66/93/984016693.db2.gz	XKASBGUYPHVMLO-WDEREUQCSA-N	-1	0	294.351	0.636	20	30		CCEDRM
C=CC[C@@H](C)NC(=O)NC[C@H]1CCO[C@H]1C(=O)[O-]	ZINC001588736128	984023655	/nfs/dbraw/zinc/02/36/55/984023655.db2.gz	TVRJNOCTHROITP-OPRDCNLKSA-N	-1	0	256.302	0.740	20	30		CCEDRM
C=CC[C@@H](C)NC(=O)CN1CCC[C@H](C(=O)[O-])C1=O	ZINC001588736962	984027952	/nfs/dbraw/zinc/02/79/52/984027952.db2.gz	ZYNYACUWBVLOFF-ZJUUUORDSA-N	-1	0	268.313	0.390	20	30		CCEDRM
C=CC[C@@H](CO)CNC(=O)c1cc(C(=O)[O-])no1	ZINC001588737132	984028671	/nfs/dbraw/zinc/02/86/71/984028671.db2.gz	DSLYNAWYOXZGBD-SSDOTTSWSA-N	-1	0	254.242	0.287	20	30		CCEDRM
C=CC[C@H](NCc1nnnn1-c1ccccc1)C(=O)[O-]	ZINC001588749632	984067142	/nfs/dbraw/zinc/06/71/42/984067142.db2.gz	NSENHOLKQOALIB-NSHDSACASA-N	-1	0	273.296	0.781	20	30		CCEDRM
C=CC[C@@H](OC(=O)Cc1cnn(C)c1C)C(=O)[O-]	ZINC001588753274	984084329	/nfs/dbraw/zinc/08/43/29/984084329.db2.gz	DPEAPDLQIMAPLL-SNVBAGLBSA-N	-1	0	252.270	0.844	20	30		CCEDRM
C=CC[C@@H](OC(=O)[C@H](C)NC(=O)c1ccco1)C(=O)[O-]	ZINC001588757058	984101242	/nfs/dbraw/zinc/10/12/42/984101242.db2.gz	UAUXJYPEFPZMNI-WCBMZHEXSA-N	-1	0	281.264	0.970	20	30		CCEDRM
C=CCC1(C(=O)N[C@H](C(=O)[O-])[C@@H](C)O)CCOCC1	ZINC001588764960	984124073	/nfs/dbraw/zinc/12/40/73/984124073.db2.gz	MZVIFMLHONFUNK-ZJUUUORDSA-N	-1	0	271.313	0.310	20	30		CCEDRM
C=CC[C@H]1NC(=O)N(Cc2ncc(C(=O)[O-])s2)C1=O	ZINC001588773827	984149834	/nfs/dbraw/zinc/14/98/34/984149834.db2.gz	LCFWLCXFWVRXOR-ZCFIWIBFSA-N	-1	0	281.293	0.838	20	30		CCEDRM
C=CCCCC(=O)NC1CN(C(=O)[C@@H]2C[C@H]2C(=O)[O-])C1	ZINC001588783011	984176204	/nfs/dbraw/zinc/17/62/04/984176204.db2.gz	STXFGUGZAAJQOA-GHMZBOCLSA-N	-1	0	280.324	0.390	20	30		CCEDRM
C=CCCC[C@@H](NC(=O)C1(C(=O)OC)CC1)C(=O)[O-]	ZINC001588787045	984185745	/nfs/dbraw/zinc/18/57/45/984185745.db2.gz	SVNMQDLMCWQRGR-SECBINFHSA-N	-1	0	269.297	0.865	20	30		CCEDRM
C=CCCC[C@H](NC(=O)[C@H]1CC[C@@H]1C(N)=O)C(=O)[O-]	ZINC001588790317	984205807	/nfs/dbraw/zinc/20/58/07/984205807.db2.gz	VMUDTMAUDSAVDF-GUBZILKMSA-N	-1	0	268.313	0.424	20	30		CCEDRM
C=CCCC[C@H](NC(=O)[C@@H]1CCOC(=O)N1)C(=O)[O-]	ZINC001588790606	984207191	/nfs/dbraw/zinc/20/71/91/984207191.db2.gz	ZUCJUWLASNNUCW-IUCAKERBSA-N	-1	0	270.285	0.411	20	30		CCEDRM
C=CCCC[C@@H](NC(=O)c1c[nH]nc1[N+](=O)[O-])C(=O)[O-]	ZINC001588793303	984217923	/nfs/dbraw/zinc/21/79/23/984217923.db2.gz	WAESCMTUEJOPJR-MRVPVSSYSA-N	-1	0	282.256	0.857	20	30		CCEDRM
C=CCCC[C@H](NC(=O)Cn1cnc(C#N)n1)C(=O)[O-]	ZINC001588794205	984225310	/nfs/dbraw/zinc/22/53/10/984225310.db2.gz	OEHJBDUYLNPZJW-VIFPVBQESA-N	-1	0	277.284	0.075	20	30		CCEDRM
C=CCCN(C)C(=O)C(=O)Nc1cc(C)[nH]c1C(=O)[O-]	ZINC001588805552	984253757	/nfs/dbraw/zinc/25/37/57/984253757.db2.gz	DGSNPMYPYCYFRI-UHFFFAOYSA-N	-1	0	279.296	0.994	20	30		CCEDRM
C=CCCn1cc(C(=O)N[C@@](CC)(COC)C(=O)[O-])nn1	ZINC001588817625	984277346	/nfs/dbraw/zinc/27/73/46/984277346.db2.gz	QUVVJEOMHKOZEL-ZDUSSCGKSA-N	-1	0	296.327	0.464	20	30		CCEDRM
C=CCN1C(=O)C(=O)N(Cc2ccccc2C(=O)[O-])C1=O	ZINC001588832211	984319963	/nfs/dbraw/zinc/31/99/63/984319963.db2.gz	HMJYVIGGDXYMDU-UHFFFAOYSA-N	-1	0	288.259	0.862	20	30		CCEDRM
C=CCN1C(=O)C(=O)N(Cc2ccc(C(=O)[O-])s2)C1=O	ZINC001588832257	984320823	/nfs/dbraw/zinc/32/08/23/984320823.db2.gz	KGYRMUJWFDEPLS-UHFFFAOYSA-N	-1	0	294.288	0.923	20	30		CCEDRM
C=CCNC(=O)CN1CC[C@H](c2ncc(C(=O)[O-])s2)C1	ZINC001588838294	984336615	/nfs/dbraw/zinc/33/66/15/984336615.db2.gz	DDVVJJIZEIHRTP-VIFPVBQESA-N	-1	0	295.364	0.933	20	30		CCEDRM
C=CCN1CC[C@H](N(C)[C@H](C(=O)[O-])c2cccnc2)C1=O	ZINC001588838408	984337394	/nfs/dbraw/zinc/33/73/94/984337394.db2.gz	DKBWMRGSMZUGKT-STQMWFEESA-N	-1	0	289.335	0.926	20	30		CCEDRM
C=CCN1CC[C@H](N[C@@H](Cc2cncs2)C(=O)[O-])C1=O	ZINC001588838785	984341147	/nfs/dbraw/zinc/34/11/47/984341147.db2.gz	JTQUEQJEWINWBB-QWRGUYRKSA-N	-1	0	295.364	0.515	20	30		CCEDRM
C=CCN1CC[C@@H](N(C)c2cc(CC(=O)[O-])ccn2)C1=O	ZINC001588838791	984341324	/nfs/dbraw/zinc/34/13/24/984341324.db2.gz	JZBRRZGZXSGPDG-GFCCVEGCSA-N	-1	0	289.335	0.932	20	30		CCEDRM
C=CCNC(=O)COC(=O)c1cc(C(=O)[O-])co1	ZINC001588844086	984355959	/nfs/dbraw/zinc/35/59/59/984355959.db2.gz	BGULDISUAGLHBQ-UHFFFAOYSA-N	-1	0	253.210	0.437	20	30		CCEDRM
C=CCNC(=O)COC(=O)c1cccc(C(=O)[O-])n1	ZINC001588844294	984356623	/nfs/dbraw/zinc/35/66/23/984356623.db2.gz	GQWIGLZXEZODBN-UHFFFAOYSA-N	-1	0	264.237	0.239	20	30		CCEDRM
C=CCOC[C@@H](NC(=O)C#Cc1ccccc1)C(=O)[O-]	ZINC001588851145	984383092	/nfs/dbraw/zinc/38/30/92/984383092.db2.gz	WJXYSCMARCXBMP-CYBMUJFWSA-N	-1	0	273.288	0.810	20	30		CCEDRM
C=CCOC[C@H](NC(=O)CC1CCOCC1)C(=O)[O-]	ZINC001588853559	984384239	/nfs/dbraw/zinc/38/42/39/984384239.db2.gz	AKSGBFWGXRCUEZ-NSHDSACASA-N	-1	0	271.313	0.575	20	30		CCEDRM
C=CCOC[C@@H](NC(=O)CC1CCOCC1)C(=O)[O-]	ZINC001588853558	984384325	/nfs/dbraw/zinc/38/43/25/984384325.db2.gz	AKSGBFWGXRCUEZ-LLVKDONJSA-N	-1	0	271.313	0.575	20	30		CCEDRM
C=CCOC[C@H](NC(=O)C1=C(C)OCCS1)C(=O)[O-]	ZINC001588855971	984396094	/nfs/dbraw/zinc/39/60/94/984396094.db2.gz	SXRUSDNTMQZEOF-VIFPVBQESA-N	-1	0	287.337	0.753	20	30		CCEDRM
C=CCOC[C@H](NC(=O)[C@@H]1CCOC[C@@H]1C)C(=O)[O-]	ZINC001588856028	984396311	/nfs/dbraw/zinc/39/63/11/984396311.db2.gz	UPPWPHKIOHATCL-AXFHLTTASA-N	-1	0	271.313	0.431	20	30		CCEDRM
C=CCOC[C@@H](NC(=O)[C@@H]1[C@@H](C)C1(F)F)C(=O)[O-]	ZINC001588856125	984397047	/nfs/dbraw/zinc/39/70/47/984397047.db2.gz	CTTHMUGZQSRJOX-PRJMDXOYSA-N	-1	0	263.240	0.660	20	30		CCEDRM
C=CCOC[C@@H](NC(=O)c1c(C)nn(C)c1OC)C(=O)[O-]	ZINC001588856551	984400976	/nfs/dbraw/zinc/40/09/76/984400976.db2.gz	MEIKVQKSYFVZFM-SECBINFHSA-N	-1	0	297.311	0.123	20	30		CCEDRM
C=CCOC[C@@H](NC(=O)c1cc(C=O)oc1C)C(=O)[O-]	ZINC001588859467	984406014	/nfs/dbraw/zinc/40/60/14/984406014.db2.gz	MKXASMHFVIFNEH-LLVKDONJSA-N	-1	0	281.264	0.786	20	30		CCEDRM
C=CCOC[C@H](NC(=O)C1=NC(=O)C(C)S1)C(=O)[O-]	ZINC001588860526	984413619	/nfs/dbraw/zinc/41/36/19/984413619.db2.gz	WZHCEJAAFLADCN-ZETCQYMHSA-N	-1	0	286.309	0.543	20	30		CCEDRM
C=CCOC[C@@H](NC(=O)c1ccc(NC=O)cc1)C(=O)[O-]	ZINC001588861367	984414981	/nfs/dbraw/zinc/41/49/81/984414981.db2.gz	GOYGUGHXFTWDHJ-GFCCVEGCSA-N	-1	0	292.291	0.641	20	30		CCEDRM
C=CCOCCCNS(=O)(=O)CC1(C(=O)[O-])CCC1	ZINC001588869208	984438942	/nfs/dbraw/zinc/43/89/42/984438942.db2.gz	ZTCLODKCNBJHLH-UHFFFAOYSA-N	-1	0	291.369	0.753	20	30		CCEDRM
C=CCn1c(CC)nnc1N1CCO[C@@H](CC(=O)[O-])C1	ZINC001588898452	984518788	/nfs/dbraw/zinc/51/87/88/984518788.db2.gz	YPCHRQNERNRMJF-JTQLQIEISA-N	-1	0	280.328	0.706	20	30		CCEDRM
C=CCn1nnn(CN2CC[C@@](OC)(C(=O)[O-])C2)c1=S	ZINC001588912697	984552844	/nfs/dbraw/zinc/55/28/44/984552844.db2.gz	NHHYDYLTTNSWLJ-NSHDSACASA-N	-1	0	299.356	0.128	20	30		CCEDRM
C=CCn1nnnc1N1CCC[C@@H](CCC(=O)[O-])C1	ZINC001588913088	984554324	/nfs/dbraw/zinc/55/43/24/984554324.db2.gz	XMKPMTIIVZWHIO-JTQLQIEISA-N	-1	0	265.317	0.940	20	30		CCEDRM
C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H](C[C@@H]1CCCOC1)C(=O)[O-]	ZINC001588917010	984564615	/nfs/dbraw/zinc/56/46/15/984564615.db2.gz	KOGVCAMGGGEPHW-RNJOBUHISA-N	-1	0	297.351	0.964	20	30		CCEDRM
C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H](C[C@@H]1CCCO1)C(=O)[O-]	ZINC001588916899	984564632	/nfs/dbraw/zinc/56/46/32/984564632.db2.gz	JTAWODZVXQUKIS-USZNOCQGSA-N	-1	0	283.324	0.716	20	30		CCEDRM
C=C[C@H](CO)NC(=O)Nc1cccc(C(=O)[O-])n1	ZINC001588919227	984570399	/nfs/dbraw/zinc/57/03/99/984570399.db2.gz	CDMPYNADNMUHMK-SSDOTTSWSA-N	-1	0	251.242	0.448	20	30		CCEDRM
C=C[C@@H]1OCC[C@H]1NC(=O)c1ccc(C(=O)[O-])n1C	ZINC001588919741	984573936	/nfs/dbraw/zinc/57/39/36/984573936.db2.gz	KWJHGLICTUCDFH-KCJUWKMLSA-N	-1	0	264.281	0.797	20	30		CCEDRM
C=C[C@H](CO)NC(=O)N[C@H]1C[C@H]2C[C@@H](C(=O)[O-])C[C@H]21	ZINC001588920131	984576429	/nfs/dbraw/zinc/57/64/29/984576429.db2.gz	TZXLFFJARRGLRA-ILAIQSSSSA-N	-1	0	268.313	0.332	20	30		CCEDRM
C=C[C@H](CO)NC(=O)Nc1cc(C(=O)[O-])n(C)c1	ZINC001588920321	984576751	/nfs/dbraw/zinc/57/67/51/984576751.db2.gz	WWIOMXDTMZHXTN-SSDOTTSWSA-N	-1	0	253.258	0.392	20	30		CCEDRM
C=C[C@@H]1OCC[C@H]1NS(=O)(=O)CC1(CC(=O)[O-])CC1	ZINC001588920339	984577412	/nfs/dbraw/zinc/57/74/12/984577412.db2.gz	XHKBMWKZYQWCLC-ZJUUUORDSA-N	-1	0	289.353	0.504	20	30		CCEDRM
CC#CCN(C)CC(=O)NC1(C(=O)[O-])CCCCC1	ZINC001588931031	984600823	/nfs/dbraw/zinc/60/08/23/984600823.db2.gz	JFSXPHASLDCVPY-UHFFFAOYSA-N	-1	0	266.341	0.845	20	30		CCEDRM
CC#CCN(C)S(=O)(=O)c1cncc(C(=O)[O-])c1	ZINC001588931143	984601390	/nfs/dbraw/zinc/60/13/90/984601390.db2.gz	MOKDSOGRENQZCX-UHFFFAOYSA-N	-1	0	268.294	0.424	20	30		CCEDRM
C/C(=C/C(=O)N(CC#N)CCC(=O)[O-])c1cnccn1	ZINC001588933702	984613277	/nfs/dbraw/zinc/61/32/77/984613277.db2.gz	WEJROSHVOLLZNF-NTMALXAHSA-N	-1	0	274.280	0.707	20	30		CCEDRM
C/C(=C\CN1CCN(C(=O)CC#N)CC1)C(=O)[O-]	ZINC001588961130	984734694	/nfs/dbraw/zinc/73/46/94/984734694.db2.gz	ICELKGDPFYJNNQ-XCVCLJGOSA-N	-1	0	251.286	0.075	20	30		CCEDRM
C[C@H]1CN(C(=O)Cc2cccc(C#N)c2)C[C@@H](C(=O)[O-])O1	ZINC001599918592	985096415	/nfs/dbraw/zinc/09/64/15/985096415.db2.gz	OUEODYGFUISPPW-GWCFXTLKSA-N	-1	0	288.303	0.801	20	30		CCEDRM
CC(=O)NCC(=O)OCc1cccc(C(=O)[O-])c1C#N	ZINC001589127819	985405607	/nfs/dbraw/zinc/40/56/07/985405607.db2.gz	RMGCLJYBMLOGEL-UHFFFAOYSA-N	-1	0	276.248	0.436	20	30		CCEDRM
CC(=O)Nc1nc(CN(CC#N)CCC(=O)[O-])cs1	ZINC001589225336	985754707	/nfs/dbraw/zinc/75/47/07/985754707.db2.gz	SLVOAXIHBMPDPW-UHFFFAOYSA-N	-1	0	282.325	0.902	20	30		CCEDRM
C[C@@H](C#N)C(=O)N1CCC(O)(C2(C(=O)[O-])CCC2)CC1	ZINC001589324235	986155163	/nfs/dbraw/zinc/15/51/63/986155163.db2.gz	YSPKPTDZMVDSNJ-JTQLQIEISA-N	-1	0	280.324	0.754	20	30		CCEDRM
C[C@H](C#N)CNC(=O)C(=O)Nc1cc(C(=O)[O-])ccc1F	ZINC001589330343	986171382	/nfs/dbraw/zinc/17/13/82/986171382.db2.gz	ARWFCEVMNVHVOI-SSDOTTSWSA-N	-1	0	293.254	0.738	20	30		CCEDRM
C[C@@H](C#N)CNC(=O)C(=O)Nc1ccc(C(=O)[O-])c(F)c1	ZINC001589330362	986171520	/nfs/dbraw/zinc/17/15/20/986171520.db2.gz	BGNZRYJYVGMTON-ZETCQYMHSA-N	-1	0	293.254	0.738	20	30		CCEDRM
C[C@H](C#N)CNC(=O)Nc1cc(C(=O)[O-])nn1C	ZINC001589330491	986173448	/nfs/dbraw/zinc/17/34/48/986173448.db2.gz	HDUQIDSSKZGNNL-ZCFIWIBFSA-N	-1	0	251.246	0.399	20	30		CCEDRM
C[C@H](C#N)N(C1CC1)S(=O)(=O)CC(C)(C)C(=O)[O-]	ZINC001589331334	986184183	/nfs/dbraw/zinc/18/41/83/986184183.db2.gz	BAVYANYJEJGKMO-MRVPVSSYSA-N	-1	0	274.342	0.803	20	30		CCEDRM
C[C@@H](C(=O)N1CCC(C(=O)[O-])CC1)N1CC[C@](C)(C#N)C1	ZINC001589349065	986298023	/nfs/dbraw/zinc/29/80/23/986298023.db2.gz	DRHADBUQYMUQKA-XHDPSFHLSA-N	-1	0	293.367	0.934	20	30		CCEDRM
C[C@H](C(=O)N1CCC(C(=O)[O-])CC1)N1CCC[C@H](C#N)C1	ZINC001589349393	986299963	/nfs/dbraw/zinc/29/99/63/986299963.db2.gz	GSKNIMKHIFHBJM-VXGBXAGGSA-N	-1	0	293.367	0.934	20	30		CCEDRM
C[C@@H](C(=O)NCc1ccoc1C(=O)[O-])n1cnc(C#N)n1	ZINC001589416628	986656765	/nfs/dbraw/zinc/65/67/65/986656765.db2.gz	XDYQOKSPDUGUHW-ZETCQYMHSA-N	-1	0	289.251	0.318	20	30		CCEDRM
CC[C@@H](C#N)C(=O)N[C@@H](Cc1cncs1)C(=O)[O-]	ZINC001594722193	987210060	/nfs/dbraw/zinc/21/00/60/987210060.db2.gz	LHHIEJWNJGOWGP-CBAPKCEASA-N	-1	0	267.310	0.805	20	30		CCEDRM
C[C@@H](C(=O)[O-])n1cccc1C=NN1CCOC1=O	ZINC001589540564	987244797	/nfs/dbraw/zinc/24/47/97/987244797.db2.gz	ZGKYMRJDXMKSAA-QMMMGPOBSA-N	-1	0	251.242	0.920	20	30		CCEDRM
CC(C)(C#N)CS(=O)(=O)NC(C)(C)CC(=O)[O-]	ZINC001589558633	987310921	/nfs/dbraw/zinc/31/09/21/987310921.db2.gz	SBUFIBFYBUNNSW-UHFFFAOYSA-N	-1	0	262.331	0.709	20	30		CCEDRM
CC[C@@H](C#N)NS(=O)(=O)c1ccc(C(=O)[O-])cc1OC	ZINC001597282455	987355687	/nfs/dbraw/zinc/35/56/87/987355687.db2.gz	TXLBJWMITBHMKZ-VIFPVBQESA-N	-1	0	298.320	0.974	20	30		CCEDRM
CC(C)(C(=O)[O-])n1ccc(NC(=O)CSCC#N)n1	ZINC001589672568	987674744	/nfs/dbraw/zinc/67/47/44/987674744.db2.gz	OPSWRMZVLAFQGO-UHFFFAOYSA-N	-1	0	282.325	0.898	20	30		CCEDRM
CSC[C@@](C)(C#N)NC(=O)[C@H]1C[C@@H](C)[C@H](C(=O)[O-])O1	ZINC001599790339	987995650	/nfs/dbraw/zinc/99/56/50/987995650.db2.gz	XJMAGXGPUKJLLJ-MFYTUXHUSA-N	-1	0	286.353	0.626	20	30		CCEDRM
C[C@@H]1CN(C(=O)C#Cc2cccs2)C[C@@H](C(=O)[O-])O1	ZINC001599847918	988964445	/nfs/dbraw/zinc/96/44/45/988964445.db2.gz	MJAKRMOENMIHBG-KOLCDFICSA-N	-1	0	279.317	0.800	20	30		CCEDRM
CCn1cc(C(=O)N(CC#N)CC(=O)[O-])c(C2CC2)n1	ZINC001597875434	989686434	/nfs/dbraw/zinc/68/64/34/989686434.db2.gz	LDBKKGWTSMUAAV-UHFFFAOYSA-N	-1	0	276.296	0.831	20	30		CCEDRM
CCn1ccnc(N2CCC(C#N)(C(=O)[O-])CC2)c1=O	ZINC001597911583	989810713	/nfs/dbraw/zinc/81/07/13/989810713.db2.gz	VSKVCNLIJBZGSS-UHFFFAOYSA-N	-1	0	276.296	0.458	20	30		CCEDRM
CCn1cnc(/C=C/C(=O)c2cn(CC(=O)[O-])nn2)c1	ZINC001597916419	989835076	/nfs/dbraw/zinc/83/50/76/989835076.db2.gz	GQTNHYPSTNOLJO-ONEGZZNKSA-N	-1	0	275.268	0.475	20	30		CCEDRM
CN(C(=O)C(=O)NCCCCC#N)[C@H]1C[C@@H](C(=O)[O-])C1	ZINC001597984264	990069922	/nfs/dbraw/zinc/06/99/22/990069922.db2.gz	NMYPPUOQEWBCKS-AOOOYVTPSA-N	-1	0	281.312	0.118	20	30		CCEDRM
CC(C)(CC(=O)[O-])[NH2+]Cc1cc(=O)n2[n-]cc(C#N)c2n1	ZINC001590649785	990342504	/nfs/dbraw/zinc/34/25/04/990342504.db2.gz	TUUVTSILGDNTJN-UHFFFAOYSA-N	-1	0	289.295	0.649	20	30		CCEDRM
CN(C)C(=O)CCCC(=O)N1CCC(C#N)(C(=O)[O-])CC1	ZINC001598122153	990549231	/nfs/dbraw/zinc/54/92/31/990549231.db2.gz	QOMLPOIJZBHGSW-UHFFFAOYSA-N	-1	0	295.339	0.462	20	30		CCEDRM
CN(C)C(=O)CN(C)c1ccc(C(=O)[O-])nc1C#N	ZINC001598127881	990564991	/nfs/dbraw/zinc/56/49/91/990564991.db2.gz	ZRGVNNUSPWDEAD-UHFFFAOYSA-N	-1	0	262.269	0.176	20	30		CCEDRM
CN(C)C[C@@](C)(C#N)NC(=O)c1cc(C(=O)[O-])co1	ZINC001598199588	990809415	/nfs/dbraw/zinc/80/94/15/990809415.db2.gz	LMVKIRFOLDDGLW-GFCCVEGCSA-N	-1	0	265.269	0.551	20	30		CCEDRM
CC(C)[C@@H](C#N)N1CCN(c2ccc(C(=O)[O-])nn2)CC1	ZINC001590954335	991023114	/nfs/dbraw/zinc/02/31/14/991023114.db2.gz	WQKBHPDVGSTMQR-GFCCVEGCSA-N	-1	0	289.339	0.845	20	30		CCEDRM
CC(C)[C@@](C)(C#N)NC(=O)Cn1cc(C(=O)[O-])cn1	ZINC001590960970	991055536	/nfs/dbraw/zinc/05/55/36/991055536.db2.gz	KWODENFAMZITGW-GFCCVEGCSA-N	-1	0	264.285	0.636	20	30		CCEDRM
CN(CC#N)CN1Cc2ccc(C(=O)[O-])cc2C1=O	ZINC001598376657	991568975	/nfs/dbraw/zinc/56/89/75/991568975.db2.gz	ZUVQGDWLNDDQKI-UHFFFAOYSA-N	-1	0	259.265	0.753	20	30		CCEDRM
CN(CC(=O)[O-])C(=O)CCN1CCC[C@@H](C#N)C1	ZINC001598404668	991712440	/nfs/dbraw/zinc/71/24/40/991712440.db2.gz	JUESVFMNZVYBNQ-JTQLQIEISA-N	-1	0	253.302	0.155	20	30		CCEDRM
CC(C)C[C@H](NC(=O)CN1CCC(C#N)CC1)C(=O)[O-]	ZINC001591168275	991945528	/nfs/dbraw/zinc/94/55/28/991945528.db2.gz	WONQMGROYRYZCS-LBPRGKRZSA-N	-1	0	281.356	0.837	20	30		CCEDRM
CN(CCNc1ncccc1C#N)C(=O)[C@@H]1C[C@H]1C(=O)[O-]	ZINC001598495785	992358899	/nfs/dbraw/zinc/35/88/99/992358899.db2.gz	OBXVFXNEYCDHSE-GHMZBOCLSA-N	-1	0	288.307	0.544	20	30		CCEDRM
CN(c1cnc(C#N)c(C#N)n1)[C@H]1C[C@@H](C(=O)[O-])C1	ZINC001598546134	992947646	/nfs/dbraw/zinc/94/76/46/992947646.db2.gz	ATQWOSQYXUOSPK-OCAPTIKFSA-N	-1	0	257.253	0.519	20	30		CCEDRM
CN1CCCC[C@@H](C(=O)N(CC#N)CCC(=O)[O-])C1=O	ZINC001598599407	993553636	/nfs/dbraw/zinc/55/36/36/993553636.db2.gz	UXKRRYDNACUJIG-SNVBAGLBSA-N	-1	0	281.312	0.072	20	30		CCEDRM
CNC(=O)[C@@H]1CCC[C@@H]1Nc1ccc(C(=O)[O-])nc1C#N	ZINC001598635886	994247843	/nfs/dbraw/zinc/24/78/43/994247843.db2.gz	PYKBECXDSBLEQU-BDAKNGLRSA-N	-1	0	288.307	0.978	20	30		CCEDRM
CNC(=O)c1cccc(CN(CC#N)CCC(=O)[O-])c1	ZINC001598659950	994579220	/nfs/dbraw/zinc/57/92/20/994579220.db2.gz	GRESKCGUJXGNEZ-UHFFFAOYSA-N	-1	0	275.308	0.846	20	30		CCEDRM
CNC(=S)N(C)N=Cc1ccc(C(=O)[O-])n1C	ZINC001598661949	994610859	/nfs/dbraw/zinc/61/08/59/994610859.db2.gz	PXFNAONCUBVLHH-UHFFFAOYSA-N	-1	0	254.315	0.493	20	30		CCEDRM
COC(=O)C1(NC(=O)C#CC2CC2)CCC(C(=O)[O-])CC1	ZINC001598722590	995497612	/nfs/dbraw/zinc/49/76/12/995497612.db2.gz	ULWAFTOUDURRNU-UHFFFAOYSA-N	-1	0	293.319	0.703	20	30		CCEDRM
C[C@@H](Oc1ccccc1C=NN1CC(=O)NC1=O)C(=O)[O-]	ZINC001593644877	995967248	/nfs/dbraw/zinc/96/72/48/995967248.db2.gz	NUHYUMVFRSNHQP-MRVPVSSYSA-N	-1	0	291.263	0.424	20	30		CCEDRM
COC(=O)[C@H]1CCN(C(=O)C#CC2CC2)[C@H](C(=O)[O-])C1	ZINC001598790455	996068021	/nfs/dbraw/zinc/06/80/21/996068021.db2.gz	PYZIXLKUMTZUNV-QWRGUYRKSA-N	-1	0	279.292	0.265	20	30		CCEDRM
COC(=O)[C@H]1CCN(c2ccc(C(=O)[O-])nc2C#N)C1	ZINC001598801405	996141147	/nfs/dbraw/zinc/14/11/47/996141147.db2.gz	YLDYHMPRLMHVFS-QMMMGPOBSA-N	-1	0	275.264	0.651	20	30		CCEDRM
COC(=O)[C@@H]1CN(c2nc(C#N)ccc2C)C[C@@H]1C(=O)[O-]	ZINC001598826162	996385122	/nfs/dbraw/zinc/38/51/22/996385122.db2.gz	GPHFJDGOLPYNKS-WDEREUQCSA-N	-1	0	289.291	0.572	20	30		CCEDRM
COC(=O)CC[C@@H](NC(=O)c1ccc(C#N)s1)C(=O)[O-]	ZINC001598857596	996651056	/nfs/dbraw/zinc/65/10/56/996651056.db2.gz	BROBNBKWBXPMPC-MRVPVSSYSA-N	-1	0	296.304	0.756	20	30		CCEDRM
COC(=O)CN(CC(=O)[O-])Cc1cccc(F)c1C#N	ZINC001598861618	996679627	/nfs/dbraw/zinc/67/96/27/996679627.db2.gz	HJSYTXNOGGISGH-UHFFFAOYSA-N	-1	0	280.255	0.757	20	30		CCEDRM
COC(=O)[C@@H](CCC(=O)[O-])NC(=O)[C@H](C)CC#N	ZINC001598891952	997008672	/nfs/dbraw/zinc/00/86/72/997008672.db2.gz	XQRWKGMGTSZCHX-HTQZYQBOSA-N	-1	0	256.258	0.059	20	30		CCEDRM
COC[C@]1(C(=O)[O-])CCCN1C(=O)c1ccc(C#N)o1	ZINC001599192188	997142406	/nfs/dbraw/zinc/14/24/06/997142406.db2.gz	JGECRYRUEWXACN-ZDUSSCGKSA-N	-1	0	278.264	0.857	20	30		CCEDRM
COC(=O)c1cc(C#N)c(=O)n(C/C(C)=C/C(=O)[O-])c1	ZINC001598919021	997529739	/nfs/dbraw/zinc/52/97/39/997529739.db2.gz	PSMLDEQXGCGMJR-FPYGCLRLSA-N	-1	0	276.248	0.537	20	30		CCEDRM
CON=CC(=O)NC[C@H](C(=O)[O-])c1ccc(C)cc1	ZINC001599320618	997574184	/nfs/dbraw/zinc/57/41/84/997574184.db2.gz	RGQVLUUKDZCAAL-NSHDSACASA-N	-1	0	264.281	0.912	20	30		CCEDRM
COCCN(CCC#N)C(=O)[C@H]1C[C@@H](C)[C@H](C(=O)[O-])O1	ZINC001599235611	997940695	/nfs/dbraw/zinc/94/06/95/997940695.db2.gz	HDWROZCZIJXWBV-GMTAPVOTSA-N	-1	0	284.312	0.253	20	30		CCEDRM
CO[C@H]1CN(C(=O)c2cccc(C#N)n2)[C@](C)(C(=O)[O-])C1	ZINC001599131318	997950958	/nfs/dbraw/zinc/95/09/58/997950958.db2.gz	BOCBUXDLJNEZTC-YGRLFVJLSA-N	-1	0	289.291	0.657	20	30		CCEDRM
COCC#CC(=O)Nc1cnn(C(C)(C)C(=O)[O-])c1	ZINC001599139458	998101804	/nfs/dbraw/zinc/10/18/04/998101804.db2.gz	XDUYEXNOXGHJHX-UHFFFAOYSA-N	-1	0	265.269	0.291	20	30		CCEDRM
COC[C@](C)(C#N)NC(=O)c1cc(C(=O)[O-])no1	ZINC001599144050	998181703	/nfs/dbraw/zinc/18/17/03/998181703.db2.gz	RXLIEBGISGOOIT-JTQLQIEISA-N	-1	0	253.214	0.031	20	30		CCEDRM
COc1cc(S(=O)(=O)N2CC(C#N)C2)ccc1C(=O)[O-]	ZINC001599460351	998261735	/nfs/dbraw/zinc/26/17/35/998261735.db2.gz	QRCCUMSCYSYGCR-UHFFFAOYSA-N	-1	0	296.304	0.537	20	30		CCEDRM
C[C@@H]1[C@@H](C(=O)[O-])CCN1C(=O)Cc1ccc(C#N)nc1	ZINC001594148416	998505655	/nfs/dbraw/zinc/50/56/55/998505655.db2.gz	ZZLSQURFMMCFJW-SKDRFNHKSA-N	-1	0	273.292	0.817	20	30		CCEDRM
COC[C@@H](NC(=O)CCc1ccc(C#N)cc1)C(=O)[O-]	ZINC001599169605	998592907	/nfs/dbraw/zinc/59/29/07/998592907.db2.gz	ZKHCVQPPDGEGKK-GFCCVEGCSA-N	-1	0	276.292	0.707	20	30		CCEDRM
N#Cc1c(F)cccc1N1CCO[C@H](C(=O)[O-])C1	ZINC000093396160	349541740	/nfs/dbraw/zinc/54/17/40/349541740.db2.gz	BNNXFMYRZQLEIE-NSHDSACASA-N	-1	0	250.229	0.987	20	30		CCEDRM
C=CCN(C(=O)Cc1n[n-]c(=NC)s1)[C@@H](C)COC	ZINC000617582928	365686736	/nfs/dbraw/zinc/68/67/36/365686736.db2.gz	YHNDOTCVQQQNRS-VIFPVBQESA-N	-1	0	284.385	0.594	20	30		CCEDRM
C=CCn1c(=N)[n-]nc1SC[C@@H](O)CC(=O)OCC	ZINC000600520735	362001931	/nfs/dbraw/zinc/00/19/31/362001931.db2.gz	GNYRRFUHBNXIPJ-QMMMGPOBSA-N	-1	0	286.357	0.283	20	30		CCEDRM
C[S@](=O)C1(C(=O)[O-])CCN(c2ccc(C#N)nc2)CC1	ZINC000600678390	362032225	/nfs/dbraw/zinc/03/22/25/362032225.db2.gz	PLUCOTOLUSVACI-FQEVSTJZSA-N	-1	0	293.348	0.755	20	30		CCEDRM
CO[C@]1(C(=O)[O-])CCN(C(=O)C2(C#N)CCCC2)C1	ZINC000600869397	362083106	/nfs/dbraw/zinc/08/31/06/362083106.db2.gz	IMTLDQYZRNDVDQ-CYBMUJFWSA-N	-1	0	266.297	0.772	20	30		CCEDRM
CCc1nnc([N-]S(=O)(=O)c2cnc(C)c(C#N)c2)[nH]1	ZINC000451025503	529744285	/nfs/dbraw/zinc/74/42/85/529744285.db2.gz	JYBNWLYTPFRTIS-UHFFFAOYSA-N	-1	0	292.324	0.743	20	30		CCEDRM
CC[C@@H](NS(=O)(=O)c1ccc(C#N)nc1)C(=O)[O-]	ZINC000127117737	187283365	/nfs/dbraw/zinc/28/33/65/187283365.db2.gz	SJVWGYWXKGEYBQ-SECBINFHSA-N	-1	0	269.282	0.095	20	30		CCEDRM
Cn1cc(C(=O)N=c2[nH][n-]cc2C#N)c(C(C)(C)C)n1	ZINC000601639378	362336245	/nfs/dbraw/zinc/33/62/45/362336245.db2.gz	PEUJPGLMBNEOCM-UHFFFAOYSA-N	-1	0	272.312	0.987	20	30		CCEDRM
CCCN1CCC[C@@H]1C(=O)N=c1[nH][n-]c(C)c1C#N	ZINC000601678929	362352814	/nfs/dbraw/zinc/35/28/14/362352814.db2.gz	HYSVVUXQGKEYQD-LLVKDONJSA-N	-1	0	261.329	0.825	20	30		CCEDRM
Cc1[n-][nH]c(=NC(=O)[C@@H](C)Cc2cnn(C)c2)c1C#N	ZINC000601680636	362352963	/nfs/dbraw/zinc/35/29/63/362352963.db2.gz	UUMPTHIASYIWOC-QMMMGPOBSA-N	-1	0	272.312	0.563	20	30		CCEDRM
CC(C)CN(C(=O)Cn1cc(C#N)c(=O)[n-]c1=O)C(C)C	ZINC000602087311	362477247	/nfs/dbraw/zinc/47/72/47/362477247.db2.gz	CHNYWAYFBDQNSB-UHFFFAOYSA-N	-1	0	292.339	0.714	20	30		CCEDRM
CC[C@@H]1CCCN1C(=O)CCn1cc(C#N)c(=O)[n-]c1=O	ZINC000602093279	362482780	/nfs/dbraw/zinc/48/27/80/362482780.db2.gz	ABUNVHCULGTNQS-LLVKDONJSA-N	-1	0	290.323	0.612	20	30		CCEDRM
C[C@H](Oc1ccc(C#N)cc1)C(=O)NCc1n[nH]c(=O)[n-]1	ZINC000358350672	232085885	/nfs/dbraw/zinc/08/58/85/232085885.db2.gz	DBGOUKJDHVPKRC-QMMMGPOBSA-N	-1	0	287.279	0.466	20	30		CCEDRM
C[C@@H](N(C)C(=O)Cn1cc(C#N)c(=O)[n-]c1=O)C1(C)CC1	ZINC000602113141	362496776	/nfs/dbraw/zinc/49/67/76/362496776.db2.gz	KWCDRYVCXVWYJU-SECBINFHSA-N	-1	0	290.323	0.468	20	30		CCEDRM
N#Cc1cn(CCC(=O)N2CCC[C@@H](F)C2)c(=O)[n-]c1=O	ZINC000602176206	362544455	/nfs/dbraw/zinc/54/44/55/362544455.db2.gz	DFKNOVOUXOXCDW-SNVBAGLBSA-N	-1	0	294.286	0.171	20	30		CCEDRM
C=CCNC(=O)CN1C[C@@H](C)N(C(=O)[O-])[C@H](C)C1	ZINC000738495914	581362503	/nfs/dbraw/zinc/36/25/03/581362503.db2.gz	QDZTXVBOGZFXHE-NXEZZACHSA-N	-1	0	255.318	0.361	20	30		CCEDRM
N#Cc1cc(C(=O)N2CCC[C@H](c3n[nH]c(=O)[n-]3)C2)c[nH]1	ZINC000339294279	215074246	/nfs/dbraw/zinc/07/42/46/215074246.db2.gz	SAZJEWHPIMUERV-QMMMGPOBSA-N	-1	0	286.295	0.730	20	30		CCEDRM
C[C@@](O)(CNc1nc2c(cc1C#N)CCC2)C(=O)[O-]	ZINC000263553575	137068180	/nfs/dbraw/zinc/06/81/80/137068180.db2.gz	MRLCNFCLNIFZFI-CYBMUJFWSA-N	-1	0	261.281	0.689	20	30		CCEDRM
Cn1ccc([N-]S(=O)(=O)c2cncc(C#N)c2)n1	ZINC000311052391	137073270	/nfs/dbraw/zinc/07/32/70/137073270.db2.gz	QXNMPMMUONIJEJ-UHFFFAOYSA-N	-1	0	263.282	0.488	20	30		CCEDRM
Cc1[nH]nc([N-]S(=O)(=O)c2ccc(C#N)o2)c1C#N	ZINC000342442921	137094212	/nfs/dbraw/zinc/09/42/12/137094212.db2.gz	FUHDOKCJESSUIE-UHFFFAOYSA-N	-1	0	277.265	0.855	20	30		CCEDRM
C[C@@H](CCO)[N-]S(=O)(=O)c1c(F)cc(C#N)cc1F	ZINC000120331275	349981359	/nfs/dbraw/zinc/98/13/59/349981359.db2.gz	UQLSTHHZUVDOMZ-ZETCQYMHSA-N	-1	0	290.291	0.886	20	30		CCEDRM
C[C@H](CCO)[N-]S(=O)(=O)c1c(F)cc(C#N)cc1F	ZINC000120331432	349981910	/nfs/dbraw/zinc/98/19/10/349981910.db2.gz	UQLSTHHZUVDOMZ-SSDOTTSWSA-N	-1	0	290.291	0.886	20	30		CCEDRM
Cc1nn(C)c(C)c1CC(=O)Nc1nc(C#N)c(C#N)[n-]1	ZINC000026268698	348094015	/nfs/dbraw/zinc/09/40/15/348094015.db2.gz	VEYQXMVSLXGZAA-UHFFFAOYSA-N	-1	0	283.295	0.685	20	30		CCEDRM
C=C(C)CN(CC)S(=O)(=O)N1CCC[C@H](C(=O)[O-])C1	ZINC000037656140	348197606	/nfs/dbraw/zinc/19/76/06/348197606.db2.gz	VTKRHANWBSGKNW-NSHDSACASA-N	-1	0	290.385	0.926	20	30		CCEDRM
C[C@H]1C[C@@H](CO)CN(C(=O)N=c2[n-]n(C)cc2C#N)C1	ZINC000602888395	362866862	/nfs/dbraw/zinc/86/68/62/362866862.db2.gz	UKZDEZYRDPPXAC-VHSXEESVSA-N	-1	0	277.328	0.196	20	30		CCEDRM
CCc1nocc1CN(C)C(=O)N=c1[n-]n(C)cc1C#N	ZINC000602880266	362860641	/nfs/dbraw/zinc/86/06/41/362860641.db2.gz	KSBJQCHIXAFOJW-UHFFFAOYSA-N	-1	0	288.311	0.928	20	30		CCEDRM
N#Cc1ccnc(C(=O)N=c2nc(C(F)(F)F)[nH][n-]2)c1	ZINC000339433600	215167364	/nfs/dbraw/zinc/16/73/64/215167364.db2.gz	MNVRLVCHVAAFGU-UHFFFAOYSA-N	-1	0	282.185	0.764	20	30		CCEDRM
C[C@H](C#N)CNS(=O)(=O)c1cc(C(=O)[O-])cs1	ZINC000054156590	348543628	/nfs/dbraw/zinc/54/36/28/348543628.db2.gz	DOKCVQNPFHNESW-ZCFIWIBFSA-N	-1	0	274.323	0.884	20	30		CCEDRM
Cc1oc(C(=O)[O-])cc1S(=O)(=O)NC[C@@H](C)C#N	ZINC000055312823	348575179	/nfs/dbraw/zinc/57/51/79/348575179.db2.gz	VBUGBBBEEAGFPT-LURJTMIESA-N	-1	0	272.282	0.724	20	30		CCEDRM
C=CC[C@@H](C)NS(=O)(=O)c1c[nH]c(C(=O)[O-])c1	ZINC000162556302	350745647	/nfs/dbraw/zinc/74/56/47/350745647.db2.gz	HMXRWGCPUTZVEX-SSDOTTSWSA-N	-1	0	258.299	0.956	20	30		CCEDRM
C=CC[C@H](CO)NC(=O)c1ccc([N+](=O)[O-])c([O-])c1	ZINC000185906099	351464905	/nfs/dbraw/zinc/46/49/05/351464905.db2.gz	PYEWJFRLMSMWAY-SECBINFHSA-N	-1	0	266.253	0.967	20	30		CCEDRM
C[C@@H](CO)[N-]S(=O)(=O)c1c(F)cc(C#N)cc1F	ZINC000122832778	187054182	/nfs/dbraw/zinc/05/41/82/187054182.db2.gz	CGJJLJZEILHVEA-LURJTMIESA-N	-1	0	276.264	0.496	20	30		CCEDRM
CCn1cc(S(=O)(=O)[N-]c2nn(C)cc2C#N)cn1	ZINC000123370852	187087707	/nfs/dbraw/zinc/08/77/07/187087707.db2.gz	KMHZHNUSIHSRHU-UHFFFAOYSA-N	-1	0	280.313	0.309	20	30		CCEDRM
COCCS(=O)(=O)[N-]c1cc(C#N)ccc1OC	ZINC000265654478	352654089	/nfs/dbraw/zinc/65/40/89/352654089.db2.gz	VUVQTRHVNLUNBB-UHFFFAOYSA-N	-1	0	270.310	0.955	20	30		CCEDRM
C=CCCS(=O)(=O)N[C@@H](CCSC)C(=O)[O-]	ZINC000274878467	353169531	/nfs/dbraw/zinc/16/95/31/353169531.db2.gz	CEHFDOBQMKLEKQ-QMMMGPOBSA-N	-1	0	267.372	0.688	20	30		CCEDRM
C=CCCS(=O)(=O)N[C@@H](CC(F)(F)F)C(=O)[O-]	ZINC000275198478	353194845	/nfs/dbraw/zinc/19/48/45/353194845.db2.gz	GIURXTXXQAPTLW-LURJTMIESA-N	-1	0	275.248	0.888	20	30		CCEDRM
CC(C)[C@@H](CC(=O)[O-])NS(=O)(=O)c1ccc(C#N)nc1	ZINC000159659689	188435905	/nfs/dbraw/zinc/43/59/05/188435905.db2.gz	QJBXNDBUDOHESZ-LLVKDONJSA-N	-1	0	297.336	0.731	20	30		CCEDRM
CC(C)n1cc(C#N)c([N-]S(=O)(=O)c2cnn(C)c2)n1	ZINC000160668385	188485806	/nfs/dbraw/zinc/48/58/06/188485806.db2.gz	GEWNSUHNRLGYMG-UHFFFAOYSA-N	-1	0	294.340	0.870	20	30		CCEDRM
C[C@H](C(=O)N(C)C)S(=O)(=O)[N-]c1ccc(C#N)c(F)c1	ZINC000290505106	353731137	/nfs/dbraw/zinc/73/11/37/353731137.db2.gz	AHYHCYQQZNBBCB-MRVPVSSYSA-N	-1	0	299.327	0.916	20	30		CCEDRM
CC(C)CN(CC(=O)[O-])S(=O)(=O)c1cncc(C#N)c1	ZINC000290634121	353739241	/nfs/dbraw/zinc/73/92/41/353739241.db2.gz	LLCLBBLJQXEMAG-UHFFFAOYSA-N	-1	0	297.336	0.685	20	30		CCEDRM
N#Cc1cncc(S(=O)(=O)NC2(C(=O)[O-])CCCC2)c1	ZINC000290680251	353742462	/nfs/dbraw/zinc/74/24/62/353742462.db2.gz	PXAMGBHTHIVQAN-UHFFFAOYSA-N	-1	0	295.320	0.629	20	30		CCEDRM
Cc1[n-][nH]c(=NC(=O)c2cnc3[nH]c(=O)[nH]c3c2)c1C#N	ZINC000558427839	291055393	/nfs/dbraw/zinc/05/53/93/291055393.db2.gz	IMRNOYIHTDQKLN-UHFFFAOYSA-N	-1	0	283.251	0.241	20	30		CCEDRM
CCCc1nc(=NC(=O)[C@@H](C)n2cnc(C#N)n2)s[n-]1	ZINC000336933213	355229469	/nfs/dbraw/zinc/22/94/69/355229469.db2.gz	BTBZDVCWRHBPJZ-SSDOTTSWSA-N	-1	0	291.340	0.575	20	30		CCEDRM
N#Cc1nc(NC(=O)[C@H]2C[C@@H]2C(F)F)[n-]c1C#N	ZINC000338368068	355333587	/nfs/dbraw/zinc/33/35/87/355333587.db2.gz	UOSYTHHOKSYYKY-WHFBIAKZSA-N	-1	0	251.196	0.993	20	30		CCEDRM
C[C@@H](NS(=O)(=O)c1ccc(Cl)c(C#N)c1)C(=O)[O-]	ZINC000340230030	355534121	/nfs/dbraw/zinc/53/41/21/355534121.db2.gz	ZUFZJAIIYDTDDD-ZCFIWIBFSA-N	-1	0	288.712	0.963	20	30		CCEDRM
C=CCn1cc(C(=O)N(CC(=O)[O-])C2CCC2)nn1	ZINC000655587031	412626103	/nfs/dbraw/zinc/62/61/03/412626103.db2.gz	KRJZEVKBGPSBLW-UHFFFAOYSA-N	-1	0	264.285	0.543	20	30		CCEDRM
C[C@@H](Oc1ccc(C#N)cc1)C(=O)NCc1n[n-]c(=N)o1	ZINC000354836295	356510042	/nfs/dbraw/zinc/51/00/42/356510042.db2.gz	MQNIADJEKLKUQL-MRVPVSSYSA-N	-1	0	287.279	0.438	20	30		CCEDRM
C=C(C)[C@H]1OCC[C@H]1CNC(=O)N=c1[n-]n(C)cc1C#N	ZINC000619556379	366280048	/nfs/dbraw/zinc/28/00/48/366280048.db2.gz	UWIRAYIQVRDMKL-CMPLNLGQSA-N	-1	0	289.339	0.816	20	30		CCEDRM
Cc1nccn1CCCNC(=O)N=c1[n-]n(C)cc1C#N	ZINC000610528242	363574061	/nfs/dbraw/zinc/57/40/61/363574061.db2.gz	YJDGGHSYUZLRLK-UHFFFAOYSA-N	-1	0	287.327	0.430	20	30		CCEDRM
C[C@H](NC(=O)N=c1[n-]n(C)cc1C#N)C(=O)OC(C)(C)C	ZINC000610560338	363574507	/nfs/dbraw/zinc/57/45/07/363574507.db2.gz	BBCHFVXVMXYURO-QMMMGPOBSA-N	-1	0	293.327	0.565	20	30		CCEDRM
C[C@H](Cc1ccncc1)NC(=O)N=c1[n-]n(C)cc1C#N	ZINC000610560554	363574746	/nfs/dbraw/zinc/57/47/46/363574746.db2.gz	FZABUCZAPVRYCY-SNVBAGLBSA-N	-1	0	284.323	0.861	20	30		CCEDRM
Cn1cc(C#N)c(=NC(=O)N2CCC[C@H](c3ncc[nH]3)C2)[n-]1	ZINC000610560447	363574838	/nfs/dbraw/zinc/57/48/38/363574838.db2.gz	IHRGIBANAVYUJS-JTQLQIEISA-N	-1	0	299.338	0.848	20	30		CCEDRM
CO[C@H]1CCCN(C(=O)N=c2[n-]n(C)cc2C#N)C1	ZINC000610560384	363575434	/nfs/dbraw/zinc/57/54/34/363575434.db2.gz	BLXFKOVHARRIET-JTQLQIEISA-N	-1	0	263.301	0.356	20	30		CCEDRM
Cn1cc(C#N)c(=NC(=O)NCc2ccc(O)cc2)[n-]1	ZINC000610561980	363576607	/nfs/dbraw/zinc/57/66/07/363576607.db2.gz	UKLRUEFSNJTBKI-UHFFFAOYSA-N	-1	0	271.280	0.741	20	30		CCEDRM
COc1cccc(CNC(=O)N=c2[n-]n(C)cc2C#N)n1	ZINC000610561411	363576873	/nfs/dbraw/zinc/57/68/73/363576873.db2.gz	KBRSVLPRLDUMLX-UHFFFAOYSA-N	-1	0	286.295	0.439	20	30		CCEDRM
CN(Cc1cc[nH]n1)C(=O)N=c1[n-]n(C)cc1C#N	ZINC000610562630	363577048	/nfs/dbraw/zinc/57/70/48/363577048.db2.gz	ZKQJUYHKBRHUCH-UHFFFAOYSA-N	-1	0	259.273	0.101	20	30		CCEDRM
Cn1cc(C#N)c(=NC(=O)NCCOC[C@@H]2CCCO2)[n-]1	ZINC000610564700	363578803	/nfs/dbraw/zinc/57/88/03/363578803.db2.gz	RHZRCXWTOYHFOT-NSHDSACASA-N	-1	0	293.327	0.031	20	30		CCEDRM
N#Cc1c(N)n[nH]c1CCCN=c1[n-]c(C2CCC2)no1	ZINC000450222464	236074607	/nfs/dbraw/zinc/07/46/07/236074607.db2.gz	CTIYRRMPLCFSGY-UHFFFAOYSA-N	-1	0	287.327	0.811	20	30		CCEDRM
C=CCOC[C@H](NC(=O)NC1CCOCC1)C(=O)[O-]	ZINC000684722082	545727830	/nfs/dbraw/zinc/72/78/30/545727830.db2.gz	DSUVFYSPJRNGPS-JTQLQIEISA-N	-1	0	272.301	0.120	20	30		CCEDRM
C[C@H](NC(=O)N=c1[n-]n(C)cc1C#N)C1CCOCC1	ZINC000610773248	363613008	/nfs/dbraw/zinc/61/30/08/363613008.db2.gz	UJPUUKRYQCZGEL-VIFPVBQESA-N	-1	0	277.328	0.650	20	30		CCEDRM
Cc1[n-][nH]c(=NC(=O)c2ccc3c(c2)[nH]c(=O)n3C)c1C#N	ZINC000569037030	358729155	/nfs/dbraw/zinc/72/91/55/358729155.db2.gz	KAAIYTIXABPEHW-UHFFFAOYSA-N	-1	0	296.290	0.856	20	30		CCEDRM
C=C[C@@H]1OCC[C@H]1NC(=O)N=c1[n-]nc(C)s1	ZINC000584036039	359160335	/nfs/dbraw/zinc/16/03/35/359160335.db2.gz	YFUWZWLOKNKFEI-SFYZADRCSA-N	-1	0	254.315	0.733	20	30		CCEDRM
Cn1nncc1S(=O)(=O)[N-]c1ccccc1C#N	ZINC000585775999	359272825	/nfs/dbraw/zinc/27/28/25/359272825.db2.gz	HHYWLLBBWWUEOD-UHFFFAOYSA-N	-1	0	263.282	0.488	20	30		CCEDRM
Cc1[n-][nH]c(=NC(=O)c2ccc(=O)[nH]c2C)c1C#N	ZINC000588718170	359333566	/nfs/dbraw/zinc/33/35/66/359333566.db2.gz	XLQZDGFOMHHXHK-UHFFFAOYSA-N	-1	0	257.253	0.673	20	30		CCEDRM
CN(Cc1n[n-]c(=O)o1)C(=O)c1cc(C#N)cs1	ZINC000588849457	359340531	/nfs/dbraw/zinc/34/05/31/359340531.db2.gz	PPKAVGCSHABELT-UHFFFAOYSA-N	-1	0	264.266	0.981	20	30		CCEDRM
C=CC[C@@H](CO)NC(=O)NC[C@@H](C(=O)[O-])C(C)C	ZINC000655893574	412683400	/nfs/dbraw/zinc/68/34/00/412683400.db2.gz	FZWFBPRLKPVLDS-VHSXEESVSA-N	-1	0	258.318	0.579	20	30		CCEDRM
N#CC1(CC(=O)NC2(c3nnn[n-]3)CCCC2)CC1	ZINC000590260543	359433584	/nfs/dbraw/zinc/43/35/84/359433584.db2.gz	FNRXNINOJPOVQT-UHFFFAOYSA-N	-1	0	260.301	0.779	20	30		CCEDRM
Cc1[n-][nH]c(=NC(=O)c2cccc(C#N)n2)c1C#N	ZINC000589493510	359388113	/nfs/dbraw/zinc/38/81/13/359388113.db2.gz	IMQKHJZAJMBTHZ-UHFFFAOYSA-N	-1	0	252.237	0.531	20	30		CCEDRM
Cc1cc(C(=O)N2CC(C#N)C2)[nH]c2nc(=O)[n-]c(=O)c1-2	ZINC000590489748	359477528	/nfs/dbraw/zinc/47/75/28/359477528.db2.gz	VLVCMRGPSHSPIK-UHFFFAOYSA-N	-1	0	285.263	0.340	20	30		CCEDRM
N#CC1(c2ccc(C(=O)N=c3[n-]nc4nc[nH]n43)cc2)CC1	ZINC000590553089	359483460	/nfs/dbraw/zinc/48/34/60/359483460.db2.gz	UGVULFZTZYWORM-UHFFFAOYSA-N	-1	0	293.290	0.682	20	30		CCEDRM
N#CCC1(CNC(=O)C(=O)N[C@H]2CC[C@@H](C(=O)[O-])C2)CC1	ZINC000592440417	359841925	/nfs/dbraw/zinc/84/19/25/359841925.db2.gz	MQUZVHQZGRYPBU-ZJUUUORDSA-N	-1	0	293.323	0.166	20	30		CCEDRM
C[C@H](C#N)CN(C)C(=O)C(=O)N1CCC(C)(C(=O)[O-])CC1	ZINC000592428618	359836072	/nfs/dbraw/zinc/83/60/72/359836072.db2.gz	HPABTJOBGOZUGP-SNVBAGLBSA-N	-1	0	295.339	0.318	20	30		CCEDRM
Cn1cc(C#N)c(=NC(=O)N2CC[C@@H](C3CC3)C2)[n-]1	ZINC000611201500	363679915	/nfs/dbraw/zinc/67/99/15/363679915.db2.gz	COAXTUHJCJUTEE-SNVBAGLBSA-N	-1	0	259.313	0.977	20	30		CCEDRM
Cc1c(C#N)c(=NC(=O)[C@H]2COc3ccccc3O2)[n-]n1C	ZINC000592646517	359907839	/nfs/dbraw/zinc/90/78/39/359907839.db2.gz	KOYMMVSCYOYPSZ-CYBMUJFWSA-N	-1	0	298.302	0.801	20	30		CCEDRM
Cc1nc(C(=O)N=c2[n-]n(C)c(C)c2C#N)c(C)o1	ZINC000592648114	359908420	/nfs/dbraw/zinc/90/84/20/359908420.db2.gz	AFEPSYHIMQKKLS-UHFFFAOYSA-N	-1	0	259.269	0.879	20	30		CCEDRM
Cc1c(C#N)c(=NC(=O)[C@@H]2CCc3cnn(C)c3C2)[n-]n1C	ZINC000592648649	359908903	/nfs/dbraw/zinc/90/89/03/359908903.db2.gz	DYHJBZVKHGNSGA-SNVBAGLBSA-N	-1	0	298.350	0.499	20	30		CCEDRM
CC[C@H]1CC[C@@H](C(=O)N=c2[n-]n(C)c(C)c2C#N)O1	ZINC000592655077	359910518	/nfs/dbraw/zinc/91/05/18/359910518.db2.gz	VLFLMJDVFCVOMO-ONGXEEELSA-N	-1	0	262.313	0.918	20	30		CCEDRM
CNC(=O)c1ccc(=NC(=O)CC(C)(C)C#N)[n-]n1	ZINC000593334589	360067670	/nfs/dbraw/zinc/06/76/70/360067670.db2.gz	GFRACLVZRVIPOB-UHFFFAOYSA-N	-1	0	261.285	0.136	20	30		CCEDRM
Cn1cc(C#N)c(=NC(=O)NC2(C)CCOCC2)[n-]1	ZINC000611481038	363721151	/nfs/dbraw/zinc/72/11/51/363721151.db2.gz	LZBJKTHGJMUHBI-UHFFFAOYSA-N	-1	0	263.301	0.404	20	30		CCEDRM
CC#CC[C@@H](CO)[N-]S(=O)(=O)c1ncccc1[N+](=O)[O-]	ZINC000594797663	360385126	/nfs/dbraw/zinc/38/51/26/360385126.db2.gz	XOJPWJZOHVQUGY-VIFPVBQESA-N	-1	0	299.308	0.042	20	30		CCEDRM
N#CCCCS(=O)(=O)N1CC2(CCCC2)[C@@H]1C(=O)[O-]	ZINC000594675918	360358775	/nfs/dbraw/zinc/35/87/75/360358775.db2.gz	WFQGAZYWJCMKAX-JTQLQIEISA-N	-1	0	286.353	0.949	20	30		CCEDRM
C[C@H]1OCCN(C(=O)N=c2[n-]n(C)cc2C#N)[C@H]1C	ZINC000611519415	363731817	/nfs/dbraw/zinc/73/18/17/363731817.db2.gz	BDOOLRJFDHKIOM-DTWKUNHWSA-N	-1	0	263.301	0.355	20	30		CCEDRM
C[C@@]1(C#N)CCN(C(=O)C(=O)N=c2ccc(C3CC3)n[n-]2)C1	ZINC000595213961	360452095	/nfs/dbraw/zinc/45/20/95/360452095.db2.gz	XWMDCBJIAOBXOM-HNNXBMFYSA-N	-1	0	299.334	0.477	20	30		CCEDRM
C[C@@H](CN(C)C(=O)CC1(C#N)CCOCC1)C(=O)[O-]	ZINC000595281555	360477352	/nfs/dbraw/zinc/47/73/52/360477352.db2.gz	MVKLXBXIURITOV-JTQLQIEISA-N	-1	0	268.313	0.876	20	30		CCEDRM
C=CCCSCCNC(=O)N1CCO[C@H](C(=O)[O-])C1	ZINC000595262551	360465526	/nfs/dbraw/zinc/46/55/26/360465526.db2.gz	KCYKUUWSBYMILA-JTQLQIEISA-N	-1	0	288.369	0.791	20	30		CCEDRM
CO[C@H](C)CS(=O)(=O)[N-]c1cc(C)c(C#N)cn1	ZINC000563425986	291227961	/nfs/dbraw/zinc/22/79/61/291227961.db2.gz	YVRDPAMROFLKLH-SECBINFHSA-N	-1	0	269.326	0.460	20	30		CCEDRM
CN(CC(=O)N[C@](C)(C#N)C1CC1)Cc1n[n-]c(=O)o1	ZINC000595552260	360576978	/nfs/dbraw/zinc/57/69/78/360576978.db2.gz	RMSBGHNQTWLJQV-GFCCVEGCSA-N	-1	0	279.300	0.015	20	30		CCEDRM
Cc1cc(C#N)nc(N[C@@H]2C[C@@H](C(=O)[O-])C[C@@H]2O)n1	ZINC000595978403	360754722	/nfs/dbraw/zinc/75/47/22/360754722.db2.gz	LOKIIZYFNXFCAM-QNSHHTMESA-N	-1	0	262.269	0.293	20	30		CCEDRM
COC[C@](C)(O)CN=c1[n-]c(C#N)c(Cl)s1	ZINC000596127393	360804973	/nfs/dbraw/zinc/80/49/73/360804973.db2.gz	YPZUZHWVKSQKBQ-SECBINFHSA-N	-1	0	261.734	0.899	20	30		CCEDRM
N#Cc1cnnc(N2CCC[C@@H](c3n[nH]c(=O)[n-]3)C2)c1	ZINC000596227309	360844361	/nfs/dbraw/zinc/84/43/61/360844361.db2.gz	VFPOGEZFYFIYGO-SECBINFHSA-N	-1	0	271.284	0.556	20	30		CCEDRM
COc1n[n-]c(=NC(=O)N2CC[C@](C)(C#N)C2)s1	ZINC000596869624	360970323	/nfs/dbraw/zinc/97/03/23/360970323.db2.gz	WJFULEPQLNVYDG-SNVBAGLBSA-N	-1	0	267.314	0.736	20	30		CCEDRM
C[C@H](C#N)CN(C)C(=O)c1ccc([N-]S(C)(=O)=O)nc1	ZINC000599141949	361587864	/nfs/dbraw/zinc/58/78/64/361587864.db2.gz	JXFXLSCODMBGDA-SECBINFHSA-N	-1	0	296.352	0.685	20	30		CCEDRM
C=CCN(C(=O)C(=O)NC[C@@H](C)C(=O)[O-])C1CC1	ZINC000656001918	412728455	/nfs/dbraw/zinc/72/84/55/412728455.db2.gz	PIYSIPGWXAFHAF-MRVPVSSYSA-N	-1	0	254.286	0.000	20	30		CCEDRM
COCC1=CCN(C(=O)N=c2[n-]n(C)cc2C#N)CC1	ZINC000614182406	364524263	/nfs/dbraw/zinc/52/42/63/364524263.db2.gz	PWXVDLRYKQKTAO-UHFFFAOYSA-N	-1	0	275.312	0.524	20	30		CCEDRM
CC#CC[C@@H](CO)NC(=O)c1ccc2oc(=O)nc-2[n-]1	ZINC000616506358	365348178	/nfs/dbraw/zinc/34/81/78/365348178.db2.gz	VLUVDKMTBLBBGO-QMMMGPOBSA-N	-1	0	275.264	0.433	20	30		CCEDRM
CC(C)(C)n1cnc(=NC(=O)c2cc(C#N)c[nH]2)[n-]1	ZINC000330847913	203308518	/nfs/dbraw/zinc/30/85/18/203308518.db2.gz	VKUUGVRCBKMHQR-UHFFFAOYSA-N	-1	0	258.285	0.907	20	30		CCEDRM
C=C(C)[C@H]1OCC[C@@H]1CNS(=O)(=O)c1ncc[n-]1	ZINC000632301449	370972203	/nfs/dbraw/zinc/97/22/03/370972203.db2.gz	ZURFNMXNCVYWOM-NXEZZACHSA-N	-1	0	271.342	0.669	20	30		CCEDRM
C=CCCCN(C)C(=O)C(=O)N1CC[C@@H](C(=O)[O-])[C@@H](C)C1	ZINC000629771446	369771849	/nfs/dbraw/zinc/77/18/49/369771849.db2.gz	ALTDXPLGNHHUPQ-NWDGAFQWSA-N	-1	0	296.367	0.980	20	30		CCEDRM
C=CCCO[C@@H](C)C(=O)NC[C@]1(C(=O)[O-])CCCOC1	ZINC000630335212	370048852	/nfs/dbraw/zinc/04/88/52/370048852.db2.gz	HNXNLFFEXLGDSL-SMDDNHRTSA-N	-1	0	285.340	0.965	20	30		CCEDRM
C=C(C)C[C@H](NS(=O)(=O)[C@@H]1CCO[C@H](C)C1)C(=O)[O-]	ZINC000630438452	370116886	/nfs/dbraw/zinc/11/68/86/370116886.db2.gz	QITRNXMWAZDDEU-MXWKQRLJSA-N	-1	0	291.369	0.893	20	30		CCEDRM
C=C(C)C[C@@H](NC(=O)NCC1(C)COC1)C(=O)[O-]	ZINC000630476062	370128956	/nfs/dbraw/zinc/12/89/56/370128956.db2.gz	MMUOPTMAQKILKJ-SECBINFHSA-N	-1	0	256.302	0.742	20	30		CCEDRM
C=C(C)C[C@H](NC(=O)NC[C@@H](C)COC)C(=O)[O-]	ZINC000630479541	370129998	/nfs/dbraw/zinc/12/99/98/370129998.db2.gz	GJZUWVXYPNWGFQ-ZJUUUORDSA-N	-1	0	258.318	0.988	20	30		CCEDRM
C=C(C)C[C@H](NS(=O)(=O)C[C@@H](OC)C1CC1)C(=O)[O-]	ZINC000634654665	372126718	/nfs/dbraw/zinc/12/67/18/372126718.db2.gz	PPSOQSZTJQJBBO-WDEREUQCSA-N	-1	0	291.369	0.750	20	30		CCEDRM
C=C(C)C[C@H](NC(=O)c1cnn2c1CCC2)C(=O)[O-]	ZINC000637794481	374317848	/nfs/dbraw/zinc/31/78/48/374317848.db2.gz	HYDJMSUQJBMRTF-JTQLQIEISA-N	-1	0	263.297	0.979	20	30		CCEDRM
C=CCOCCCNC(=O)N1CC2CC1(C(=O)[O-])C2	ZINC000656595789	412833902	/nfs/dbraw/zinc/83/39/02/412833902.db2.gz	QNTPXQSJIBEPEW-UHFFFAOYSA-N	-1	0	268.313	0.838	20	30		CCEDRM
C=CCNC(=O)CN=c1[n-]nc(C(C)(C)CC)o1	ZINC000641483052	377166187	/nfs/dbraw/zinc/16/61/87/377166187.db2.gz	XLKVHCQXQMFCGL-UHFFFAOYSA-N	-1	0	252.318	0.893	20	30		CCEDRM
CC(C)(O)CO[N-]C(=O)COc1ccccc1C#N	ZINC000278697613	194109395	/nfs/dbraw/zinc/10/93/95/194109395.db2.gz	RFSPBJSQZOZEBK-UHFFFAOYSA-N	-1	0	264.281	0.756	20	30		CCEDRM
COC(=O)C[C@H](C)CC(=O)Nc1nc(C#N)c(C#N)[n-]1	ZINC000289367277	197314875	/nfs/dbraw/zinc/31/48/75/197314875.db2.gz	ZIUAZQDXGNFXLE-SSDOTTSWSA-N	-1	0	275.268	0.681	20	30		CCEDRM
COCCCO[N-]C(=O)C(=O)Nc1cccc(C)c1C#N	ZINC000288265757	197040009	/nfs/dbraw/zinc/04/00/09/197040009.db2.gz	PGYOFXYGCGTQOY-UHFFFAOYSA-N	-1	0	291.307	0.890	20	30		CCEDRM
C#CCOc1ccc(C(=O)N[C@H](CCOC)C(=O)[O-])cc1	ZINC000262263917	533186026	/nfs/dbraw/zinc/18/60/26/533186026.db2.gz	FHOYVRRZIOIJMY-CYBMUJFWSA-N	-1	0	291.303	0.918	20	30		CCEDRM
C[C@@H]1C(=O)N(C)S(=O)(=O)N1Cc1ccc(F)c(C#N)c1	ZINC000283020083	388760894	/nfs/dbraw/zinc/76/08/94/388760894.db2.gz	MDDUDWKRHGCYCL-MRVPVSSYSA-N	-1	0	297.311	0.605	20	30		CCEDRM
C=CC[C@@H](NS(=O)(=O)c1c(C)cnn1C)C(=O)[O-]	ZINC000284902454	388785425	/nfs/dbraw/zinc/78/54/25/388785425.db2.gz	AUFDRRBACDIVSK-MRVPVSSYSA-N	-1	0	273.314	0.036	20	30		CCEDRM
C#CCO[N-]C(=O)[C@@H](c1cccc(F)c1)N1CCOCC1	ZINC000291049087	388916621	/nfs/dbraw/zinc/91/66/21/388916621.db2.gz	IAFHGQQJCCCHMV-CQSZACIVSA-N	-1	0	292.310	0.880	20	30		CCEDRM
C#CCO[N-]C(=O)[C@H](CCS(C)(=O)=O)c1ccccc1	ZINC000291201905	388919494	/nfs/dbraw/zinc/91/94/94/388919494.db2.gz	HPTUJTBDKTZDCT-CYBMUJFWSA-N	-1	0	295.360	0.886	20	30		CCEDRM
C=CCN(CC(=O)[O-])S(=O)(=O)c1c(C)nn(C)c1C	ZINC000092464085	389028550	/nfs/dbraw/zinc/02/85/50/389028550.db2.gz	FZELGCMLJJITBE-UHFFFAOYSA-N	-1	0	287.341	0.298	20	30		CCEDRM
C#CCN(CC#N)S(=O)(=O)c1cc(C(=O)[O-])sc1C	ZINC000302330729	389068693	/nfs/dbraw/zinc/06/86/93/389068693.db2.gz	SISFJYYZJDZTMT-UHFFFAOYSA-N	-1	0	298.345	0.902	20	30		CCEDRM
N#CC[N-]S(=O)(=O)c1ccc(Br)o1	ZINC000307690086	389091663	/nfs/dbraw/zinc/09/16/63/389091663.db2.gz	HNDDFNBKRLIGMQ-UHFFFAOYSA-N	-1	0	265.088	0.844	20	30		CCEDRM
CN(C(=O)NCCc1nc(=O)o[n-]1)C1CCCC1	ZINC000329782435	389200362	/nfs/dbraw/zinc/20/03/62/389200362.db2.gz	NYBHWBIYNLJULO-UHFFFAOYSA-N	-1	0	254.290	0.694	20	30		CCEDRM
N#C[C@H](NC(=O)c1c[nH]c2nc(=O)[n-]c(=O)c-2c1)C1CC1	ZINC000343054000	389257293	/nfs/dbraw/zinc/25/72/93/389257293.db2.gz	NOUOOQUELXRZDB-VIFPVBQESA-N	-1	0	285.263	0.468	20	30		CCEDRM
CC(C)(C#N)CCC[N@@H+]1CCN2C(=O)NC(=O)[C@H]2C1	ZINC000330365773	389221529	/nfs/dbraw/zinc/22/15/29/389221529.db2.gz	RWAPPJHEOQTVHN-SNVBAGLBSA-N	-1	0	264.329	0.552	20	30		CCEDRM
N#CCC1(CNC(=O)[C@H]2CC[C@H](C(=O)[O-])O2)CC1	ZINC000362335237	389233834	/nfs/dbraw/zinc/23/38/34/389233834.db2.gz	RAIXQNYEMTYPEX-RKDXNWHRSA-N	-1	0	252.270	0.429	20	30		CCEDRM
CCC[C@@H](NC(=O)CSCC#N)c1nnn[n-]1	ZINC000343722247	389270626	/nfs/dbraw/zinc/27/06/26/389270626.db2.gz	GSYJRCTWXSORRY-SSDOTTSWSA-N	-1	0	254.319	0.414	20	30		CCEDRM
Cc1nc(NC(=O)c2ccc(C#N)c([O-])c2)nn1C	ZINC000344551693	389282752	/nfs/dbraw/zinc/28/27/52/389282752.db2.gz	DMCNUVIKUBOYEH-UHFFFAOYSA-N	-1	0	257.253	0.953	20	30		CCEDRM
CC(=O)Nc1cc(F)c(S(=O)(=O)[N-]CC#N)c(F)c1	ZINC000152429780	389290423	/nfs/dbraw/zinc/29/04/23/389290423.db2.gz	DJXPJTBLDBWSMW-UHFFFAOYSA-N	-1	0	289.263	0.725	20	30		CCEDRM
N#Cc1ccc(S(=O)(=O)N2CSC[C@@H]2C(=O)[O-])cn1	ZINC000159677684	389371416	/nfs/dbraw/zinc/37/14/16/389371416.db2.gz	GPXSCXMBNPFNSB-SECBINFHSA-N	-1	0	299.333	0.101	20	30		CCEDRM
C=CCCO[C@H](C)C(=O)NC1(c2nnn[n-]2)CC1	ZINC000348279705	389372378	/nfs/dbraw/zinc/37/23/78/389372378.db2.gz	FTAQNZCACCVXDF-MRVPVSSYSA-N	-1	0	251.290	0.286	20	30		CCEDRM
CC[C@@H](O)CCNC(=O)c1cc(C#N)c(SC)[n-]c1=O	ZINC000160882077	389401596	/nfs/dbraw/zinc/40/15/96/389401596.db2.gz	JASAUMVBLNZNCZ-SECBINFHSA-N	-1	0	295.364	0.859	20	30		CCEDRM
CC#CCCNC(=O)N=c1[n-]n(C)cc1C(=O)OCC	ZINC000350157598	389494005	/nfs/dbraw/zinc/49/40/05/389494005.db2.gz	RCUURHWYDBIBSN-UHFFFAOYSA-N	-1	0	278.312	0.554	20	30		CCEDRM
C=C(C)COCCNS(=O)(=O)c1c[nH]c(C(=O)[O-])c1	ZINC000163485142	389428108	/nfs/dbraw/zinc/42/81/08/389428108.db2.gz	HGEZXEBBIHCGBR-UHFFFAOYSA-N	-1	0	288.325	0.584	20	30		CCEDRM
CC#CC[C@H](NS(=O)(=O)N1CCCCCC1)C(=O)[O-]	ZINC000274932703	389507207	/nfs/dbraw/zinc/50/72/07/389507207.db2.gz	CTJWEALTJOBPPT-NSHDSACASA-N	-1	0	288.369	0.563	20	30		CCEDRM
CC(C)OCCS(=O)(=O)[N-]c1ccn(CCC#N)n1	ZINC000176470258	389558401	/nfs/dbraw/zinc/55/84/01/389558401.db2.gz	JXRYMBCHRHDPKP-UHFFFAOYSA-N	-1	0	286.357	0.963	20	30		CCEDRM
C=CCCn1cc(C(=O)N[C@H](CC2CC2)C(=O)[O-])nn1	ZINC000425248138	389642738	/nfs/dbraw/zinc/64/27/38/389642738.db2.gz	ZWICLPVGFACVNB-SNVBAGLBSA-N	-1	0	278.312	0.837	20	30		CCEDRM
C=CCCn1cc(C(=O)N[C@H](C)[C@H](C)C(=O)[O-])nn1	ZINC000425236399	389643249	/nfs/dbraw/zinc/64/32/49/389643249.db2.gz	FKIZILGHIJJWII-DTWKUNHWSA-N	-1	0	266.301	0.693	20	30		CCEDRM
C=C(C)[C@H]1OCC[C@H]1C(=O)N(C)C[C@H](C)c1nnn[n-]1	ZINC000280302074	389599170	/nfs/dbraw/zinc/59/91/70/389599170.db2.gz	QVBBFQLDFVKRDB-HBNTYKKESA-N	-1	0	279.344	0.743	20	30		CCEDRM
C=C[C@H](CO)NC(=O)c1cccc([N+](=O)[O-])c1[O-]	ZINC000436929532	389987290	/nfs/dbraw/zinc/98/72/90/389987290.db2.gz	FEIYOIXEPSNKMS-SSDOTTSWSA-N	-1	0	252.226	0.577	20	30		CCEDRM
N#CCN(CC#N)C(=O)c1cc([N+](=O)[O-])ccc1[O-]	ZINC000436964503	389988363	/nfs/dbraw/zinc/98/83/63/389988363.db2.gz	IZPJNCNGKGUUJC-UHFFFAOYSA-N	-1	0	260.209	0.790	20	30		CCEDRM
C=CC[C@@H](CC)NC(=O)C(=O)N=c1ncn(C(C)(C)C)[n-]1	ZINC000440246520	390034191	/nfs/dbraw/zinc/03/41/91/390034191.db2.gz	WQCIFAGUAGKHSY-SNVBAGLBSA-N	-1	0	293.371	0.864	20	30		CCEDRM
C=CCn1cc(C(=O)N(CCC)CC(=O)[O-])nn1	ZINC000647729582	390149356	/nfs/dbraw/zinc/14/93/56/390149356.db2.gz	BXEYEDZAVCOQPQ-UHFFFAOYSA-N	-1	0	252.274	0.401	20	30		CCEDRM
C=C[C@@H]1OCC[C@H]1CNC(=O)N1CCO[C@@H](C(=O)[O-])C1	ZINC000644178061	390156997	/nfs/dbraw/zinc/15/69/97/390156997.db2.gz	VRGSOOUPLUAXNK-GARJFASQSA-N	-1	0	284.312	0.073	20	30		CCEDRM
C=CCC[C@H](NS(=O)(=O)N(C)CC(C)C)C(=O)[O-]	ZINC000580401837	390243667	/nfs/dbraw/zinc/24/36/67/390243667.db2.gz	XBVOTIFOCAHPLI-JTQLQIEISA-N	-1	0	278.374	0.828	20	30		CCEDRM
C=CCCS(=O)(=O)N1CCC[C@](COC)(C(=O)[O-])C1	ZINC000644578418	390256961	/nfs/dbraw/zinc/25/69/61/390256961.db2.gz	LQDIMGMGYHSDOZ-LBPRGKRZSA-N	-1	0	291.369	0.706	20	30		CCEDRM
CC(C)(C)n1cnc(=NC(=O)c2ccc(C#N)cn2)[n-]1	ZINC000542241444	390257846	/nfs/dbraw/zinc/25/78/46/390257846.db2.gz	AHTFHCYSNMQQGD-UHFFFAOYSA-N	-1	0	270.296	0.974	20	30		CCEDRM
C[C@H](CC#N)N(C)S(=O)(=O)N[C@H]1C=C[C@H](C(=O)[O-])C1	ZINC000583325706	390283753	/nfs/dbraw/zinc/28/37/53/390283753.db2.gz	WCXBTCYDKJTLQD-UTLUCORTSA-N	-1	0	287.341	0.084	20	30		CCEDRM
Cc1cn(-c2ccc(C#N)cn2)nc1[N-]S(C)(=O)=O	ZINC000545181597	390316471	/nfs/dbraw/zinc/31/64/71/390316471.db2.gz	VSPAEMDLJBSDFA-UHFFFAOYSA-N	-1	0	277.309	0.819	20	30		CCEDRM
C=C[C@H](CCC(=O)[O-])NS(=O)(=O)C[C@@H](C)COCC	ZINC000583875512	390320709	/nfs/dbraw/zinc/32/07/09/390320709.db2.gz	KGCNXNOLUXZGNL-WDEREUQCSA-N	-1	0	293.385	0.998	20	30		CCEDRM
C=CCNc1ncc(C(=O)N[C@H](C)C(=O)[O-])s1	ZINC000518770288	390493843	/nfs/dbraw/zinc/49/38/43/390493843.db2.gz	PBCNNPKRVNRMRU-ZCFIWIBFSA-N	-1	0	255.299	0.366	20	30		CCEDRM
C=C(CC)CNC(=O)C(=O)N1CC[C@@H](C)[C@@H](C(=O)[O-])C1	ZINC000516468026	390482252	/nfs/dbraw/zinc/48/22/52/390482252.db2.gz	NPEQZWDRHWXFIR-MNOVXSKESA-N	-1	0	282.340	0.638	20	30		CCEDRM
C[C@@H](CC#N)N(C)S(=O)(=O)N1CC[C@@H](CC(=O)[O-])C1	ZINC000519662843	390526761	/nfs/dbraw/zinc/52/67/61/390526761.db2.gz	ZTWUIIUZECJRPC-UWVGGRQHSA-N	-1	0	289.357	0.262	20	30		CCEDRM
C=CCC[C@H](CO)NC(=O)N[C@@H]1CC[C@H](C(=O)[O-])C1	ZINC000646180680	390625585	/nfs/dbraw/zinc/62/55/85/390625585.db2.gz	WQONRJJYSBZFOY-HBNTYKKESA-N	-1	0	270.329	0.866	20	30		CCEDRM
CC(C)C[C@H](C)N(C)C(=O)Cn1c(=O)[n-]cc(C#N)c1=O	ZINC000566560708	390628904	/nfs/dbraw/zinc/62/89/04/390628904.db2.gz	CISFAZSUIARLKI-JTQLQIEISA-N	-1	0	292.339	0.301	20	30		CCEDRM
C=C(C)[C@@H]1OCC[C@@H]1CNc1ccc(C(=O)[O-])nn1	ZINC000566799757	390649656	/nfs/dbraw/zinc/64/96/56/390649656.db2.gz	LVGNJQYKIHCKFZ-SKDRFNHKSA-N	-1	0	263.297	0.990	20	30		CCEDRM
C=CCN(CC(=O)[O-])S(=O)(=O)N(CC)C[C@@H](C)C#N	ZINC000569728088	390716481	/nfs/dbraw/zinc/71/64/81/390716481.db2.gz	UFIGDJFTMHAWTR-JTQLQIEISA-N	-1	0	289.357	0.285	20	30		CCEDRM
CC(C)n1cc(C#N)c([N-]S(=O)(=O)c2ccn(C)n2)n1	ZINC000531831460	390878169	/nfs/dbraw/zinc/87/81/69/390878169.db2.gz	FIWMDKWNNQLLNL-UHFFFAOYSA-N	-1	0	294.340	0.870	20	30		CCEDRM
C[C@@H](NS(=O)(=O)N(C)C[C@H](C)C#N)[C@@H](C)C(=O)[O-]	ZINC000572965732	390814384	/nfs/dbraw/zinc/81/43/84/390814384.db2.gz	YZKJEMSVKDPGHE-IWSPIJDZSA-N	-1	0	277.346	0.021	20	30		CCEDRM
C=CCCCN(C)C(=O)C(=O)N[C@@H]1CC[C@H](C(=O)[O-])C1	ZINC000647592177	390844596	/nfs/dbraw/zinc/84/45/96/390844596.db2.gz	WLQXJGDDOURBBP-WDEREUQCSA-N	-1	0	282.340	0.781	20	30		CCEDRM
C=CCn1cc(C(=O)N2CCCC[C@@H]2C(=O)[O-])nn1	ZINC000647598573	390848489	/nfs/dbraw/zinc/84/84/89/390848489.db2.gz	SBPINSVIKDTVMI-SNVBAGLBSA-N	-1	0	264.285	0.543	20	30		CCEDRM
N#Cc1ccc(S(=O)(=O)N2CCC[C@H](C(=O)[O-])C2)o1	ZINC000262241550	131204869	/nfs/dbraw/zinc/20/48/69/131204869.db2.gz	AHXWEWFQYXLYSK-QMMMGPOBSA-N	-1	0	284.293	0.637	20	30		CCEDRM
CNC(=S)NN=Cc1ccc(O)c(C(=O)[O-])c1	ZINC000777417884	581114401	/nfs/dbraw/zinc/11/44/01/581114401.db2.gz	COILYKRCVWRABT-UHFFFAOYSA-N	-1	0	253.283	0.518	20	30		CCEDRM
N#Cc1ccc(C(=O)Nc2ccc(-n3nn[n-]c3=O)cc2)[nH]1	ZINC000356991828	144048681	/nfs/dbraw/zinc/04/86/81/144048681.db2.gz	AYXYOVPLPIDBSZ-UHFFFAOYSA-N	-1	0	295.262	0.820	20	30		CCEDRM
N#Cc1ccc(NCC(=O)NC2(c3nnn[n-]3)CC2)cc1	ZINC000357078466	144058011	/nfs/dbraw/zinc/05/80/11/144058011.db2.gz	QBFQCLFWNNAACK-UHFFFAOYSA-N	-1	0	283.295	0.289	20	30		CCEDRM
N#Cc1ccc([N+](=O)[O-])c(NCCc2n[n-]c(=N)o2)c1	ZINC000357780410	144121121	/nfs/dbraw/zinc/12/11/21/144121121.db2.gz	PTBPDMACSCCEOM-UHFFFAOYSA-N	-1	0	274.240	0.917	20	30		CCEDRM
C[C@H](Oc1ccccc1C#N)C(=O)NCc1n[nH]c(=O)[n-]1	ZINC000358941194	144187808	/nfs/dbraw/zinc/18/78/08/144187808.db2.gz	XSSIEHMFJQUHOA-QMMMGPOBSA-N	-1	0	287.279	0.466	20	30		CCEDRM
C=C(C)CS(=O)(=O)N1C[C@@H](C(=O)[O-])[C@H](C2CC2)C1	ZINC000650449172	397720860	/nfs/dbraw/zinc/72/08/60/397720860.db2.gz	ZZWIATGTUUHHFQ-WDEREUQCSA-N	-1	0	273.354	0.935	20	30		CCEDRM
C=CCn1cc(C(=O)N[C@@](C)(CCF)C(=O)[O-])nn1	ZINC000659214531	413341355	/nfs/dbraw/zinc/34/13/55/413341355.db2.gz	MUJIKFHJHLIOHO-NSHDSACASA-N	-1	0	270.264	0.397	20	30		CCEDRM
C[C@H](NS(=O)(=O)Cc1ccc(C#N)cc1)C(=O)[O-]	ZINC000021516632	171312749	/nfs/dbraw/zinc/31/27/49/171312749.db2.gz	UHQNLQRDBMCIRX-QMMMGPOBSA-N	-1	0	268.294	0.451	20	30		CCEDRM
C=C[C@@H](CCC(=O)[O-])NS(=O)(=O)c1cn(C)c(C)n1	ZINC000654786520	412438618	/nfs/dbraw/zinc/43/86/18/412438618.db2.gz	BMCWNSOMUOZBAZ-VIFPVBQESA-N	-1	0	287.341	0.426	20	30		CCEDRM
C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)N1CCOC[C@@H]1C(=O)[O-]	ZINC000654820094	412441653	/nfs/dbraw/zinc/44/16/53/412441653.db2.gz	SWNGHQHYONNHRF-UTUOFQBUSA-N	-1	0	298.339	0.463	20	30		CCEDRM
C=CCCNC(=O)C(=O)NC[C@H](CC(C)C)C(=O)[O-]	ZINC000659659014	413758065	/nfs/dbraw/zinc/75/80/65/413758065.db2.gz	FPFWHWBIPCYZHA-JTQLQIEISA-N	-1	0	270.329	0.542	20	30		CCEDRM
C=CCCNC(=O)C(=O)N1CC[C@H](C)[C@@H](C(=O)[O-])C1	ZINC000659662993	413760020	/nfs/dbraw/zinc/76/00/20/413760020.db2.gz	JCIOJXFNXOETEF-UWVGGRQHSA-N	-1	0	268.313	0.248	20	30		CCEDRM
C=C(C)CS(=O)(=O)N1CC2(CCOCC2)[C@@H]1C(=O)[O-]	ZINC000663286633	415038915	/nfs/dbraw/zinc/03/89/15/415038915.db2.gz	DDIOGTSKZPZJFH-JTQLQIEISA-N	-1	0	289.353	0.458	20	30		CCEDRM
C=CCNC(=O)CNC(=O)NC[C@H](C(=O)[O-])C1CCC1	ZINC000665322788	415600533	/nfs/dbraw/zinc/60/05/33/415600533.db2.gz	MUVKMZNKZIFUCS-JTQLQIEISA-N	-1	0	283.328	0.089	20	30		CCEDRM
O=C(N=c1cn[n-]s1)NC[C@H](O)C1CCOCC1	ZINC000330270726	228087443	/nfs/dbraw/zinc/08/74/43/228087443.db2.gz	USCBXUDAALCBKP-QMMMGPOBSA-N	-1	0	272.330	0.652	20	30		CCEDRM
C=C(C)CN(C)S(=O)(=O)N1CCC(C(=O)[O-])CC1	ZINC000135288356	544635857	/nfs/dbraw/zinc/63/58/57/544635857.db2.gz	IXVUNKJOGLFOKE-UHFFFAOYSA-N	-1	0	276.358	0.536	20	30		CCEDRM
C#CCN(CC#CC)S(=O)(=O)c1cc(C(=O)[O-])oc1C	ZINC000490973994	261274013	/nfs/dbraw/zinc/27/40/13/261274013.db2.gz	MWZRCXSWRBCAQG-UHFFFAOYSA-N	-1	0	295.316	0.933	20	30		CCEDRM
CC#CCNC(=O)N=c1[n-]nc(-c2c[nH]nc2C)s1	ZINC000365275034	262357893	/nfs/dbraw/zinc/35/78/93/262357893.db2.gz	CHNQCNRXBFKLML-UHFFFAOYSA-N	-1	0	276.325	0.803	20	30		CCEDRM
C=CCN(CC(=O)[O-])S(=O)(=O)CCCCC#N	ZINC000275330570	263033003	/nfs/dbraw/zinc/03/30/03/263033003.db2.gz	QJGCCWWDHCQPNH-UHFFFAOYSA-N	-1	0	260.315	0.583	20	30		CCEDRM
C=C[C@H](CO)NC(=O)N=c1nc2cc(Cl)ccn2[n-]1	ZINC000353522602	263115866	/nfs/dbraw/zinc/11/58/66/263115866.db2.gz	NQIFQGWTBPRVCQ-MRVPVSSYSA-N	-1	0	281.703	0.473	20	30		CCEDRM
CC(C)c1cc(C(=O)NCc2n[nH]c(=O)[n-]2)nn1C	ZINC000331117608	264129325	/nfs/dbraw/zinc/12/93/25/264129325.db2.gz	WCIGAQFMZNBNRR-UHFFFAOYSA-N	-1	0	264.289	0.872	20	30		CCEDRM
CNC(=O)C(C)(C)C/N=C(/[O-])Nc1c(C)ccn(C)c1=O	ZINC000331338130	264194111	/nfs/dbraw/zinc/19/41/11/264194111.db2.gz	VXULDTTVZNCVOL-UHFFFAOYSA-N	-1	0	294.355	0.792	20	30		CCEDRM
C=CC[C@H](NS(=O)(=O)N(C)C(C)C)C(=O)[O-]	ZINC000127537386	264256068	/nfs/dbraw/zinc/25/60/68/264256068.db2.gz	FNSIRDKRTUXTKK-QMMMGPOBSA-N	-1	0	250.320	0.190	20	30		CCEDRM
C=CCC[C@H](NS(=O)(=O)C[C@@H](C)COCC)C(=O)[O-]	ZINC000518973470	265266409	/nfs/dbraw/zinc/26/64/09/265266409.db2.gz	XVBUHTQWTCJMHB-QWRGUYRKSA-N	-1	0	293.385	0.998	20	30		CCEDRM
C=CCN=c1[n-]nc(SCc2nnnn2C)s1	ZINC000356926730	266212949	/nfs/dbraw/zinc/21/29/49/266212949.db2.gz	UTBXOGGFRYCSGR-UHFFFAOYSA-N	-1	0	269.359	0.374	20	30		CCEDRM
C=CC[C@H](C)NC(=O)c1c[nH]c2nc(=O)[n-]c(=O)c-2c1	ZINC000116853774	267184363	/nfs/dbraw/zinc/18/43/63/267184363.db2.gz	WJRCSFXMSWWZFP-ZETCQYMHSA-N	-1	0	274.280	0.306	20	30		CCEDRM
CC[C@@H]1[C@@H](C(=O)[O-])CCN1S(=O)(=O)CCCC#N	ZINC000376694352	268009315	/nfs/dbraw/zinc/00/93/15/268009315.db2.gz	ILGDMFHRVWHVIB-VHSXEESVSA-N	-1	0	274.342	0.805	20	30		CCEDRM
N#Cc1ccc(CC(=O)NCCc2nc(=O)o[n-]2)cc1	ZINC000392259760	268056820	/nfs/dbraw/zinc/05/68/20/268056820.db2.gz	PZMPLOOJRORGFF-UHFFFAOYSA-N	-1	0	272.264	0.136	20	30		CCEDRM
C=CCCS(=O)(=O)NC1(C(=O)[O-])CCOCC1	ZINC000367140489	277836041	/nfs/dbraw/zinc/83/60/41/277836041.db2.gz	IISRMBAYIRSCPX-UHFFFAOYSA-N	-1	0	263.315	0.116	20	30		CCEDRM
COc1ccc(=NC(=O)N[C@@H]2CCCC[C@H]2O)[n-]n1	ZINC000329146910	295064277	/nfs/dbraw/zinc/06/42/77/295064277.db2.gz	XKPMYJLYPLJDKT-RKDXNWHRSA-N	-1	0	266.301	0.537	20	30		CCEDRM
C[C@@H]1C[C@H](C(=O)Nc2nc(C#N)c(C#N)[n-]2)CCO1	ZINC000345274739	297339853	/nfs/dbraw/zinc/33/98/53/297339853.db2.gz	VPKMWJSZHBESPA-HTQZYQBOSA-N	-1	0	259.269	0.907	20	30		CCEDRM
Cn1ncc2c1C[C@@H](C(=O)Nc1nc(C#N)c(C#N)[n-]1)CC2	ZINC000431312770	303058206	/nfs/dbraw/zinc/05/82/06/303058206.db2.gz	LTCKNEGSAUJPTR-QMMMGPOBSA-N	-1	0	295.306	0.630	20	30		CCEDRM
N#Cc1cc(F)ccc1S(=O)(=O)N1CCC[C@@H]1C(=O)[O-]	ZINC000261614071	303183548	/nfs/dbraw/zinc/18/35/48/303183548.db2.gz	AQSBWCHHMDAPLR-SNVBAGLBSA-N	-1	0	298.295	0.935	20	30		CCEDRM
C[C@H](CCC(=O)[O-])NS(=O)(=O)N(C)C[C@H](C)C#N	ZINC000580081930	327693411	/nfs/dbraw/zinc/69/34/11/327693411.db2.gz	IYOATYPIUGMQIV-RKDXNWHRSA-N	-1	0	277.346	0.166	20	30		CCEDRM
Cn1nccc1S(=O)(=O)[N-]c1cc(CC#N)ccn1	ZINC000531653016	328021886	/nfs/dbraw/zinc/02/18/86/328021886.db2.gz	QCOTYASIVSCTAX-UHFFFAOYSA-N	-1	0	277.309	0.682	20	30		CCEDRM
C=CCN(CC(=O)[O-])S(=O)(=O)[C@@H]1CCO[C@@H](C)C1	ZINC000563532270	328072141	/nfs/dbraw/zinc/07/21/41/328072141.db2.gz	KBGFYWOIBBYKRW-VHSXEESVSA-N	-1	0	277.342	0.456	20	30		CCEDRM
C=C[C@@H](CCC(=O)[O-])NS(=O)(=O)N(C)[C@@H](C)CC#N	ZINC000571645733	328190081	/nfs/dbraw/zinc/19/00/81/328190081.db2.gz	ITMVSACMBGSARP-UWVGGRQHSA-N	-1	0	289.357	0.474	20	30		CCEDRM
COc1cc(CN=c2[n-]nc(CO)s2)ccc1C#N	ZINC000582936975	329291004	/nfs/dbraw/zinc/29/10/04/329291004.db2.gz	GOMTYYXEDBNVSM-UHFFFAOYSA-N	-1	0	276.321	0.945	20	30		CCEDRM
COC(=O)NCC(=O)[N-]S(=O)(=O)c1ccc(C#N)cc1	ZINC000048504218	328309107	/nfs/dbraw/zinc/30/91/07/328309107.db2.gz	WKFNNQWOUUXAEV-UHFFFAOYSA-N	-1	0	297.292	0.559	20	30		CCEDRM
COCCS(=O)(=O)[N-]c1cc(C)n(CCC#N)n1	ZINC000330595190	328464866	/nfs/dbraw/zinc/46/48/66/328464866.db2.gz	UFLLCYGOKFJICL-UHFFFAOYSA-N	-1	0	272.330	0.493	20	30		CCEDRM
C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)[C@H]1CC[C@H](C(=O)[O-])O1	ZINC000281499915	328501648	/nfs/dbraw/zinc/50/16/48/328501648.db2.gz	FMEKXQWLZYMZCW-KKOKHZNYSA-N	-1	0	283.324	0.716	20	30		CCEDRM
CC(C)Cn1nccc1C(=O)N=c1[n-]n(C)cc1C#N	ZINC000573804586	327258670	/nfs/dbraw/zinc/25/86/70/327258670.db2.gz	OUGMHZMQIPMWML-UHFFFAOYSA-N	-1	0	272.312	0.818	20	30		CCEDRM
CCOC(=O)c1cn(C)[n-]c1=NC(=O)NCC1(C#N)CC1	ZINC000564700354	327355532	/nfs/dbraw/zinc/35/55/32/327355532.db2.gz	BTULCFVQEXVQAA-UHFFFAOYSA-N	-1	0	291.311	0.444	20	30		CCEDRM
C=CCn1cc(CN=c2ccc(C(=O)OC)n[n-]2)nn1	ZINC000425264249	329652633	/nfs/dbraw/zinc/65/26/33/329652633.db2.gz	OBIDAZIRTLXNFB-UHFFFAOYSA-N	-1	0	274.284	0.075	20	30		CCEDRM
COc1ccc(S(=O)(=O)NCCC#N)cc1C(=O)[O-]	ZINC000054156441	329668921	/nfs/dbraw/zinc/66/89/21/329668921.db2.gz	BBGMTBDSLANRJY-UHFFFAOYSA-N	-1	0	284.293	0.585	20	30		CCEDRM
C=CCCC[C@H](C)NC(=O)C(=O)N1CC[C@@H](C(=O)[O-])C1	ZINC000420570727	329774888	/nfs/dbraw/zinc/77/48/88/329774888.db2.gz	WOUFXQDVBODKKL-WDEREUQCSA-N	-1	0	282.340	0.781	20	30		CCEDRM
N#CCCCCS(=O)(=O)N1CC[C@@H](C(=O)[O-])C1	ZINC000261771782	329982852	/nfs/dbraw/zinc/98/28/52/329982852.db2.gz	ZEHJDTJYXWXTPN-SECBINFHSA-N	-1	0	260.315	0.417	20	30		CCEDRM
N#CC1(C(=O)N2CCC[C@H](C(=O)[O-])C2)CCOCC1	ZINC000261884500	329988092	/nfs/dbraw/zinc/98/80/92/329988092.db2.gz	UOHPFHLKZSPGBH-JTQLQIEISA-N	-1	0	266.297	0.630	20	30		CCEDRM
COC[C@@](C)(NC(=O)c1cccc(CC#N)c1)C(=O)[O-]	ZINC000262151325	330000609	/nfs/dbraw/zinc/00/06/09/330000609.db2.gz	LXLFJKBMJNDLJM-CQSZACIVSA-N	-1	0	276.292	0.972	20	30		CCEDRM
C[C@@]1(C(=O)[O-])CCN(S(=O)(=O)CCCC#N)C1	ZINC000262410295	330008499	/nfs/dbraw/zinc/00/84/99/330008499.db2.gz	LILKBZJPMFIGBN-SNVBAGLBSA-N	-1	0	260.315	0.417	20	30		CCEDRM
C[C@]1(C(=O)[O-])CCN(S(=O)(=O)CCCC#N)C1	ZINC000262410294	330008559	/nfs/dbraw/zinc/00/85/59/330008559.db2.gz	LILKBZJPMFIGBN-JTQLQIEISA-N	-1	0	260.315	0.417	20	30		CCEDRM
C[C@@H]1[C@H](C(=O)[O-])CCCN1S(=O)(=O)CCC#N	ZINC000263095606	330043344	/nfs/dbraw/zinc/04/33/44/330043344.db2.gz	CLUGUNGEWPFFAB-RKDXNWHRSA-N	-1	0	260.315	0.415	20	30		CCEDRM
C=CCOC[C@H](NC(=O)[C@]1(C)CCCO1)C(=O)[O-]	ZINC000263113261	330044415	/nfs/dbraw/zinc/04/44/15/330044415.db2.gz	UWNHCEKINBOVKJ-CABZTGNLSA-N	-1	0	257.286	0.328	20	30		CCEDRM
C[C@@H](CC#N)N(C)S(=O)(=O)N1CC[C@](C)(C(=O)[O-])C1	ZINC000263452873	330056533	/nfs/dbraw/zinc/05/65/33/330056533.db2.gz	BCIOUHUTLGVCRN-ONGXEEELSA-N	-1	0	289.357	0.262	20	30		CCEDRM
CCN(CCC#N)S(=O)(=O)N1CC[C@](C)(C(=O)[O-])C1	ZINC000263513843	330058687	/nfs/dbraw/zinc/05/86/87/330058687.db2.gz	YXWJVHIVOZQZSW-NSHDSACASA-N	-1	0	289.357	0.263	20	30		CCEDRM
C=CCN(C(=O)C(=O)N1CCC[C@@H](C(=O)[O-])C1)C1CC1	ZINC000422906729	330159787	/nfs/dbraw/zinc/15/97/87/330159787.db2.gz	AJXPWHCGXLIJPE-SNVBAGLBSA-N	-1	0	280.324	0.487	20	30		CCEDRM
C=CCCn1cc(C(=O)N2CCC(C(=O)[O-])CC2)nn1	ZINC000424224544	330330285	/nfs/dbraw/zinc/33/02/85/330330285.db2.gz	KFKQWAXDGLKMBQ-UHFFFAOYSA-N	-1	0	278.312	0.791	20	30		CCEDRM
C=CCCCC(=O)N1CC2N=NC(=O)N2C[C@@H]1C(=O)[O-]	ZINC000424227665	330330340	/nfs/dbraw/zinc/33/03/40/330330340.db2.gz	GWPWUYJDIRPNDU-MRVPVSSYSA-N	-1	0	280.284	0.135	20	30		CCEDRM
C=CCCCC(=O)N1CCS(=O)(=O)[C@H](C(=O)[O-])C1	ZINC000424249435	330332129	/nfs/dbraw/zinc/33/21/29/330332129.db2.gz	TYFZPPCRZIGHJB-VIFPVBQESA-N	-1	0	275.326	0.053	20	30		CCEDRM
N#CC1(C(=O)N2CCC[C@@H](c3nnn[n-]3)C2)CCCC1	ZINC000533113568	330345397	/nfs/dbraw/zinc/34/53/97/330345397.db2.gz	CDMSMMXRFKGNQV-SNVBAGLBSA-N	-1	0	274.328	0.990	20	30		CCEDRM
COc1cccc(S([O-])=CC(=O)NCC#N)c1	ZINC000424631863	330433080	/nfs/dbraw/zinc/43/30/80/330433080.db2.gz	SMWREOKDUPTBSS-QGZVFWFLSA-N	-1	0	252.295	0.443	20	30		CCEDRM
C=CCOC[C@H](NS(=O)(=O)CCCCC)C(=O)[O-]	ZINC000521621018	333180103	/nfs/dbraw/zinc/18/01/03/333180103.db2.gz	SYWROYPHQDCSPL-JTQLQIEISA-N	-1	0	279.358	0.752	20	30		CCEDRM
C#CCNC(=O)c1cc(S(=O)(=O)N(C)C)ccc1[O-]	ZINC000490987497	332136656	/nfs/dbraw/zinc/13/66/56/332136656.db2.gz	ZSGSQVRNVZXLKV-UHFFFAOYSA-N	-1	0	282.321	0.006	20	30		CCEDRM
C#CCN(CC#N)C(=O)c1cc(F)cc2n[nH]nc21	ZINC000491105984	332150484	/nfs/dbraw/zinc/15/04/84/332150484.db2.gz	XDPHCKJBYPXLHI-UHFFFAOYSA-N	-1	0	257.228	0.696	20	30		CCEDRM
C#CCN(C1CC1)S(=O)(=O)[N-]CC(F)(F)F	ZINC000491691638	332288415	/nfs/dbraw/zinc/28/84/15/332288415.db2.gz	GUQUISSAYKUEQJ-UHFFFAOYSA-N	-1	0	256.249	0.481	20	30		CCEDRM
CC#CCS(=O)(=O)[N-]C(=O)/C=C/C1CCOCC1	ZINC000492961211	332420354	/nfs/dbraw/zinc/42/03/54/332420354.db2.gz	YFYZMQPZRWINIQ-SNAWJCMRSA-N	-1	0	271.338	0.439	20	30		CCEDRM
C=CCS(=O)(=O)[N-]C(=O)/C=C\c1cncc(F)c1	ZINC000493451756	332440890	/nfs/dbraw/zinc/44/08/90/332440890.db2.gz	LGOPTCCZMRLKIG-ARJAWSKDSA-N	-1	0	270.285	0.866	20	30		CCEDRM
C=CCN=c1[n-]nc(SC[C@@H]2COC(=O)N2)s1	ZINC000496488908	332551114	/nfs/dbraw/zinc/55/11/14/332551114.db2.gz	VILZPORWFHMCPW-LURJTMIESA-N	-1	0	272.355	0.758	20	30		CCEDRM
C=CCN=c1[n-]nc(SC[C@H]2COC(=O)N2)s1	ZINC000496488909	332551117	/nfs/dbraw/zinc/55/11/17/332551117.db2.gz	VILZPORWFHMCPW-ZCFIWIBFSA-N	-1	0	272.355	0.758	20	30		CCEDRM
C=CCC[C@@H](NS(=O)(=O)N1CCCC1)C(=O)[O-]	ZINC000316327309	334819676	/nfs/dbraw/zinc/81/96/76/334819676.db2.gz	LYGVNDVVBREPLY-SECBINFHSA-N	-1	0	262.331	0.336	20	30		CCEDRM
CN=c1[n-]nc(CC(=O)Nc2cc(CC#N)ccn2)s1	ZINC000545416359	333981477	/nfs/dbraw/zinc/98/14/77/333981477.db2.gz	MCBNLWJGYRQASL-UHFFFAOYSA-N	-1	0	288.336	0.644	20	30		CCEDRM
Cc1n[nH]cc1-c1n[n-]c(=NC(=O)NC[C@@H](C)C#N)s1	ZINC000547755065	334114801	/nfs/dbraw/zinc/11/48/01/334114801.db2.gz	PGRXCNFLINHSBD-LURJTMIESA-N	-1	0	291.340	0.940	20	30		CCEDRM
C[C@@H]1SC[C@@H](C(=O)[O-])N1S(=O)(=O)CCCC#N	ZINC000548218793	334146794	/nfs/dbraw/zinc/14/67/94/334146794.db2.gz	DKFIPMIGXKAGSK-YUMQZZPRSA-N	-1	0	278.355	0.468	20	30		CCEDRM
C[C@H]1SC[C@H](C(=O)[O-])N1S(=O)(=O)CCCCC#N	ZINC000548556264	334162453	/nfs/dbraw/zinc/16/24/53/334162453.db2.gz	UXWZLMXDVOKVFC-RKDXNWHRSA-N	-1	0	292.382	0.858	20	30		CCEDRM
N#CC1(CS(=O)(=O)N[C@@H](C(=O)[O-])C2CC2)CCCC1	ZINC000548555749	334162474	/nfs/dbraw/zinc/16/24/74/334162474.db2.gz	XNCMXJUSCGOYHG-SNVBAGLBSA-N	-1	0	286.353	0.853	20	30		CCEDRM
C[C@H](CC#N)N(C)S(=O)(=O)N[C@H](CC(F)F)C(=O)[O-]	ZINC000565425091	334562580	/nfs/dbraw/zinc/56/25/80/334562580.db2.gz	BDERSIAJRWNXER-RNFRBKRXSA-N	-1	0	299.299	0.163	20	30		CCEDRM
C=CCCS(=O)(=O)N1C[C@@H](OC)C[C@H]1CC(=O)[O-]	ZINC000576582593	335218718	/nfs/dbraw/zinc/21/87/18/335218718.db2.gz	VDQGDQUFEOHPCS-UWVGGRQHSA-N	-1	0	277.342	0.456	20	30		CCEDRM
N#Cc1c(C2CC2)[n-][nH]c1=NC(=O)[C@H]1CCc2cncn2C1	ZINC000576826238	335252635	/nfs/dbraw/zinc/25/26/35/335252635.db2.gz	MSCWLBXMNLYWMO-JTQLQIEISA-N	-1	0	296.334	0.978	20	30		CCEDRM
N#CC1(CS(=O)(=O)N[C@H]2C[C@H](C(=O)[O-])C2)CC1	ZINC000577484566	335357353	/nfs/dbraw/zinc/35/73/53/335357353.db2.gz	LEDCTSKGVBNKGZ-ZKCHVHJHSA-N	-1	0	258.299	0.073	20	30		CCEDRM
C[C@H]1CS(=O)(=O)C[C@H]1NC(=O)N=c1cn[n-]s1	ZINC000329568969	534057338	/nfs/dbraw/zinc/05/73/38/534057338.db2.gz	PQVHOMVTHFSXOZ-NTSWFWBYSA-N	-1	0	276.343	0.297	20	30		CCEDRM
C=C(C)[C@@H](CC(=O)NCCc1n[n-]c(=N)o1)OCC	ZINC000355025217	526749343	/nfs/dbraw/zinc/74/93/43/526749343.db2.gz	AZJGSNYXQUGPLG-SECBINFHSA-N	-1	0	268.317	0.512	20	30		CCEDRM
CC(C)(C)n1cc(C(=O)NCc2n[nH]c(=O)[n-]2)nn1	ZINC000330041441	526910524	/nfs/dbraw/zinc/91/05/24/526910524.db2.gz	GEXCNWRJVRDKRB-UHFFFAOYSA-N	-1	0	265.277	0.362	20	30		CCEDRM
C=CCOCCNC(=O)c1ccccc1[N-]S(C)(=O)=O	ZINC000679585731	545411993	/nfs/dbraw/zinc/41/19/93/545411993.db2.gz	DUXJDMNCJXPKDC-UHFFFAOYSA-N	-1	0	298.364	0.991	20	30		CCEDRM
CO[C@@H](C)C(=O)[N-]S(=O)(=O)CC1(C#N)CCCC1	ZINC000779313160	581179897	/nfs/dbraw/zinc/17/98/97/581179897.db2.gz	KPHGXWSCAUFCNN-VIFPVBQESA-N	-1	0	274.342	0.551	20	30		CCEDRM
C#CCCS(=O)(=O)[N-]C(=O)c1sc(C)nc1C	ZINC000791110275	581207589	/nfs/dbraw/zinc/20/75/89/581207589.db2.gz	AQVDKJFSTHUBPF-UHFFFAOYSA-N	-1	0	272.351	0.843	20	30		CCEDRM
C#CCCS(=O)(=O)[N-]C(=O)Cc1ccc(OC)cc1	ZINC000791108776	581207619	/nfs/dbraw/zinc/20/76/19/581207619.db2.gz	NWLCUBSAWQBUKS-UHFFFAOYSA-N	-1	0	281.333	0.707	20	30		CCEDRM
N#CC1(C(=O)N[C@@H](CC2CC2)C(=O)[O-])CCOCC1	ZINC000777386900	581114245	/nfs/dbraw/zinc/11/42/45/581114245.db2.gz	GQOCKFKTQFTZEP-JTQLQIEISA-N	-1	0	266.297	0.676	20	30		CCEDRM
N#C[C@H]1CN(C(=O)N[C@@H]2CCCN(C(=O)[O-])C2)CCO1	ZINC000739070055	581166198	/nfs/dbraw/zinc/16/61/98/581166198.db2.gz	WXFGOWTXKKIHRY-ZJUUUORDSA-N	-1	0	282.300	0.063	20	30		CCEDRM
N#CCN(CC(=O)[O-])C(=O)COc1ccc([N+](=O)[O-])cc1	ZINC000739078397	581172253	/nfs/dbraw/zinc/17/22/53/581172253.db2.gz	GIFWNYUKTRJMHG-UHFFFAOYSA-N	-1	0	293.235	0.410	20	30		CCEDRM
N#Cc1cccc(CNC(=O)CN2CCC[C@H]2C(=O)[O-])c1	ZINC000739134001	581183224	/nfs/dbraw/zinc/18/32/24/581183224.db2.gz	SJNPPDZDAISRCY-ZDUSSCGKSA-N	-1	0	287.319	0.723	20	30		CCEDRM
C[C@@H](CNC(=O)[O-])N(C)C(=O)NCCCCC#N	ZINC000738927280	581199057	/nfs/dbraw/zinc/19/90/57/581199057.db2.gz	MDGHYUFCHYEWDZ-VIFPVBQESA-N	-1	0	256.306	0.978	20	30		CCEDRM
C#CCCS(=O)(=O)[N-]C(=O)Cc1ccccc1OC	ZINC000791108763	581207710	/nfs/dbraw/zinc/20/77/10/581207710.db2.gz	NPHSKZTVCLTUDQ-UHFFFAOYSA-N	-1	0	281.333	0.707	20	30		CCEDRM
CC(C)[C@](C)(C#N)NC(=O)CN(C)[C@@H](C)CNC(=O)[O-]	ZINC000738942720	581211677	/nfs/dbraw/zinc/21/16/77/581211677.db2.gz	WZCRKMSPMDHWIB-GWCFXTLKSA-N	-1	0	284.360	0.629	20	30		CCEDRM
C=CCCO[C@@H](C)C(=O)[N-]S(=O)(=O)[C@@H]1CCCOC1	ZINC000780624358	581237461	/nfs/dbraw/zinc/23/74/61/581237461.db2.gz	NIBOHNAMVNHNHB-WDEREUQCSA-N	-1	0	291.369	0.593	20	30		CCEDRM
CCCCCCCC(=O)[N-]S(=O)(=O)c1cnnn1C	ZINC000781736694	581276182	/nfs/dbraw/zinc/27/61/82/581276182.db2.gz	FNERXYYUVNAPQZ-UHFFFAOYSA-N	-1	0	288.373	0.981	20	30		CCEDRM
CC[C@@H](NN=Cc1ccc2c(c1)nnn2C)C(=O)[O-]	ZINC000793077369	581283625	/nfs/dbraw/zinc/28/36/25/581283625.db2.gz	FIBVTIOKNXCQSO-SECBINFHSA-N	-1	0	261.285	0.755	20	30		CCEDRM
CC[C@@H](NN=Cc1ccc(OCC(N)=O)cc1)C(=O)[O-]	ZINC000793073983	581283647	/nfs/dbraw/zinc/28/36/47/581283647.db2.gz	YPWFJPIRCMSMNH-LLVKDONJSA-N	-1	0	279.296	0.337	20	30		CCEDRM
CC[C@@H](NN=Cc1ccc(S(C)(=O)=O)cc1)C(=O)[O-]	ZINC000793080451	581283730	/nfs/dbraw/zinc/28/37/30/581283730.db2.gz	ZHACLEZXXUZMHY-LLVKDONJSA-N	-1	0	284.337	0.877	20	30		CCEDRM
CC[C@@H](NN=Cc1ccc2c(c1)NC(=O)CO2)C(=O)[O-]	ZINC000793077949	581283783	/nfs/dbraw/zinc/28/37/83/581283783.db2.gz	KLZPSJPICHNLTM-SECBINFHSA-N	-1	0	277.280	0.804	20	30		CCEDRM
COCCC[C@H](C)C(=O)[N-]S(=O)(=O)CC1(C#N)CC1	ZINC000793193652	581287764	/nfs/dbraw/zinc/28/77/64/581287764.db2.gz	AJIPJIFAPKODGT-JTQLQIEISA-N	-1	0	288.369	0.799	20	30		CCEDRM
Cn1nccc1CCC(=O)[N-]S(=O)(=O)CC1(C#N)CC1	ZINC000793196356	581288059	/nfs/dbraw/zinc/28/80/59/581288059.db2.gz	HGWSDLBKLOKUAF-UHFFFAOYSA-N	-1	0	296.352	0.102	20	30		CCEDRM
N#Cc1cnc(C(=O)[N-]N2CN=NC2=O)c(Cl)c1	ZINC000782123270	581288339	/nfs/dbraw/zinc/28/83/39/581288339.db2.gz	DFEIKXFKCUEYJI-UHFFFAOYSA-N	-1	0	264.632	0.288	20	30		CCEDRM
Cc1cc(C(=O)[N-]S(=O)(=O)CC2(C#N)CC2)ccn1	ZINC000793213021	581288387	/nfs/dbraw/zinc/28/83/87/581288387.db2.gz	YDJFQRPCFOHTSK-UHFFFAOYSA-N	-1	0	279.321	0.753	20	30		CCEDRM
N#CCCCS(=O)(=O)N(CCC(=O)[O-])C1CC1	ZINC000738428533	581318681	/nfs/dbraw/zinc/31/86/81/581318681.db2.gz	PGAIPBIUYFZONH-UHFFFAOYSA-N	-1	0	260.315	0.559	20	30		CCEDRM
N#CCn1cc(NC(=O)[C@@H]2CCC[C@H]2NC(=O)[O-])cn1	ZINC000740310864	581323734	/nfs/dbraw/zinc/32/37/34/581323734.db2.gz	KOWLGNZYEXDUMJ-NXEZZACHSA-N	-1	0	277.284	0.781	20	30		CCEDRM
C#Cc1ccc(C(=O)N2CC[C@@H](CNC(=O)[O-])C2)nc1	ZINC000738470919	581344311	/nfs/dbraw/zinc/34/43/11/581344311.db2.gz	UGFVINYRYKVMEB-NSHDSACASA-N	-1	0	273.292	0.793	20	30		CCEDRM
C#Cc1ccc(C(=O)N2CC[C@H](NC(=O)[O-])C2)nc1	ZINC000738470705	581344355	/nfs/dbraw/zinc/34/43/55/581344355.db2.gz	RPBCYCUTDOIWPX-JTQLQIEISA-N	-1	0	259.265	0.545	20	30		CCEDRM
C#Cc1cccc(NC(=O)COCCNC(=O)[O-])c1	ZINC000738471184	581344361	/nfs/dbraw/zinc/34/43/61/581344361.db2.gz	RCXPELQJLPLDKZ-UHFFFAOYSA-N	-1	0	262.265	0.891	20	30		CCEDRM
CC(C)(CO)C(=O)OCc1cc(=O)n2[n-]cc(C#N)c2n1	ZINC000783379914	581346048	/nfs/dbraw/zinc/34/60/48/581346048.db2.gz	WMZUUOORSNFZSD-UHFFFAOYSA-N	-1	0	290.279	0.368	20	30		CCEDRM
N#Cc1ccc(C(=O)[N-]N2CCCNC2=O)s1	ZINC000783606558	581352300	/nfs/dbraw/zinc/35/23/00/581352300.db2.gz	QWFQGDXXSRSTSX-UHFFFAOYSA-N	-1	0	250.283	0.680	20	30		CCEDRM
C=CCSCCNC(=O)N[C@@H]1CCN(C(=O)[O-])C1	ZINC000738505293	581366329	/nfs/dbraw/zinc/36/63/29/581366329.db2.gz	JBUGDGKJRNARKM-SECBINFHSA-N	-1	0	273.358	0.957	20	30		CCEDRM
COc1cc(C)nc(=NN=C2C(=O)OC[C@H]2C)[n-]1	ZINC000794914994	581390600	/nfs/dbraw/zinc/39/06/00/581390600.db2.gz	ORFZRQFNOLOYSF-ZCFIWIBFSA-N	-1	0	250.258	0.754	20	30		CCEDRM
C=CCS(=O)(=O)[N-]C(=O)[C@@H](CC1CCC1)NC(C)=O	ZINC000786474915	581442141	/nfs/dbraw/zinc/44/21/41/581442141.db2.gz	SCWYYLOCUUGXFA-LLVKDONJSA-N	-1	0	288.369	0.313	20	30		CCEDRM
N#CCCCS(=O)(=O)[N-]C(=O)[C@H]1CCCOCC1	ZINC000786478661	581442377	/nfs/dbraw/zinc/44/23/77/581442377.db2.gz	KCZXWRDGNMTTDS-JTQLQIEISA-N	-1	0	274.342	0.553	20	30		CCEDRM
C=CCNC(=O)C(C#N)=C([O-])c1ccnc(C#N)c1	ZINC000796635039	581446625	/nfs/dbraw/zinc/44/66/25/581446625.db2.gz	KBUUVXFGTDSRAY-NSHDSACASA-N	-1	0	254.249	0.578	20	30		CCEDRM
N#Cc1ccc(S(=O)(=O)[N-]C(=O)COC(F)F)cc1	ZINC000796722298	581449268	/nfs/dbraw/zinc/44/92/68/581449268.db2.gz	AERBXVRGMIVLHR-UHFFFAOYSA-N	-1	0	290.247	0.602	20	30		CCEDRM
CCc1nc(C([O-])=C(C#N)C(=O)NCCOC)c(C)o1	ZINC000796789651	581450511	/nfs/dbraw/zinc/45/05/11/581450511.db2.gz	OPIHSIOGVUVARL-VIFPVBQESA-N	-1	0	279.296	0.631	20	30		CCEDRM
CC[C@@](C)(OC)C(=O)[N-]S(=O)(=O)CC1(C#N)CCC1	ZINC000796852735	581452178	/nfs/dbraw/zinc/45/21/78/581452178.db2.gz	YDOJJDCBDPIYEN-LLVKDONJSA-N	-1	0	288.369	0.941	20	30		CCEDRM
CO[C@@H](C)CS(=O)(=O)[N-]C(=O)c1ccnc(C#N)c1	ZINC000796904266	581454435	/nfs/dbraw/zinc/45/44/35/581454435.db2.gz	HEVXDYGMLYTVHO-QMMMGPOBSA-N	-1	0	283.309	0.048	20	30		CCEDRM
C[C@H]1CN(C(=O)[O-])CCN1S(=O)(=O)CCCCC#N	ZINC000739153700	581513125	/nfs/dbraw/zinc/51/31/25/581513125.db2.gz	IMIDAUDHNFKXNE-JTQLQIEISA-N	-1	0	289.357	0.694	20	30		CCEDRM
CC(C)NC(=O)C(C#N)=C([O-])c1ccc2nncn2c1	ZINC000733679541	581518206	/nfs/dbraw/zinc/51/82/06/581518206.db2.gz	KKLJGZOYLCUISS-JTQLQIEISA-N	-1	0	271.280	0.576	20	30		CCEDRM
C#CCCCCCC(=O)[N-]S(=O)(=O)c1ccnn1C	ZINC000765640678	581531070	/nfs/dbraw/zinc/53/10/70/581531070.db2.gz	HEHHSSPHHBYJAT-UHFFFAOYSA-N	-1	0	283.353	0.809	20	30		CCEDRM
C#CCOCCNC(=O)c1cc([N+](=O)[O-])ccc1[O-]	ZINC000753230699	581532851	/nfs/dbraw/zinc/53/28/51/581532851.db2.gz	JJTANBOMSVZODW-UHFFFAOYSA-N	-1	0	264.237	0.680	20	30		CCEDRM
Cc1occc1C(=O)[N-]S(=O)(=O)CC1(C#N)CC1	ZINC000753946048	581566180	/nfs/dbraw/zinc/56/61/80/581566180.db2.gz	XKENKOFQGDNATF-UHFFFAOYSA-N	-1	0	268.294	0.951	20	30		CCEDRM
CCn1cc(C(=O)[N-]S(=O)(=O)CC2(C#N)CC2)cn1	ZINC000753944819	581566216	/nfs/dbraw/zinc/56/62/16/581566216.db2.gz	GAJIMIKDYJEMDB-UHFFFAOYSA-N	-1	0	282.325	0.266	20	30		CCEDRM
CCNC(=O)CCCC(=O)Nc1nc(C#N)c(C#N)[n-]1	ZINC000729522393	581601849	/nfs/dbraw/zinc/60/18/49/581601849.db2.gz	OMODYDDOWDCRPM-UHFFFAOYSA-N	-1	0	274.284	0.398	20	30		CCEDRM
CC(CN1C(=O)CCC1=O)N=Nc1ccc(C(=O)[O-])cn1	ZINC000754961247	581617004	/nfs/dbraw/zinc/61/70/04/581617004.db2.gz	LFMOBVWXXJIHQF-UHFFFAOYSA-N	-1	0	290.279	0.717	20	30		CCEDRM
COCCN(CC(=O)N[C@](C)(C#N)C(C)C)C(=O)[O-]	ZINC000739822551	581625168	/nfs/dbraw/zinc/62/51/68/581625168.db2.gz	LYAHUNCLYYAWDZ-GFCCVEGCSA-N	-1	0	271.317	0.667	20	30		CCEDRM
C#CCC(C)(C)C(=O)N1CCO[C@@H](c2nnn[n-]2)C1	ZINC000768032157	581642023	/nfs/dbraw/zinc/64/20/23/581642023.db2.gz	WULYXIYLRMTRAS-SECBINFHSA-N	-1	0	263.301	0.149	20	30		CCEDRM
C=CCCO[C@H](C)C(=O)N1CCOC[C@@H]1c1nnn[n-]1	ZINC000735416925	581647905	/nfs/dbraw/zinc/64/79/05/581647905.db2.gz	UJBAYDLTZNWIKV-NXEZZACHSA-N	-1	0	281.316	0.081	20	30		CCEDRM
CC#CCS(=O)(=O)[N-]C(=O)C1(CCOC)CCC1	ZINC000788071957	581650001	/nfs/dbraw/zinc/65/00/01/581650001.db2.gz	RBXDIYMLKGTOEU-UHFFFAOYSA-N	-1	0	273.354	0.663	20	30		CCEDRM
O=C([O-])Cn1cc(/C=C/C(=O)c2ccc(O)cc2)nn1	ZINC000768850008	581658930	/nfs/dbraw/zinc/65/89/30/581658930.db2.gz	WPVNQWOJJXJYCR-ZZXKWVIFSA-N	-1	0	273.248	0.964	20	30		CCEDRM
N#CCNC(=O)COC(=O)[C@@H](NC(=O)[O-])c1ccccc1	ZINC000740304917	581662291	/nfs/dbraw/zinc/66/22/91/581662291.db2.gz	CNMPUOOCROLXLN-NSHDSACASA-N	-1	0	291.263	0.178	20	30		CCEDRM
N#CCNC(=O)[C@H]1Cc2ccccc2CN1C(=O)[O-]	ZINC000740305589	581662819	/nfs/dbraw/zinc/66/28/19/581662819.db2.gz	PUKPEVIYDLWTJN-LLVKDONJSA-N	-1	0	259.265	0.731	20	30		CCEDRM
N#CCOC(=O)C1=NN(c2ccccc2)[C@@H](C(=O)[O-])C1	ZINC000740305929	581662967	/nfs/dbraw/zinc/66/29/67/581662967.db2.gz	XPUBCHOIYTWUEU-LLVKDONJSA-N	-1	0	273.248	0.773	20	30		CCEDRM
N#CC1(C(=O)N[C@H]2CCC[C@H]2CNC(=O)[O-])CCOCC1	ZINC000740308794	581663400	/nfs/dbraw/zinc/66/34/00/581663400.db2.gz	CBFWLWAOXFCTDX-QWRGUYRKSA-N	-1	0	295.339	0.859	20	30		CCEDRM
N#CC1(C(=O)NC[C@H]2CCCN2C(=O)[O-])CCOCC1	ZINC000740308624	581663505	/nfs/dbraw/zinc/66/35/05/581663505.db2.gz	AAHDKLLFNHSAGQ-SNVBAGLBSA-N	-1	0	281.312	0.565	20	30		CCEDRM
N#CC1(NC(=O)COCCNC(=O)[O-])CCCC1	ZINC000740310732	581663803	/nfs/dbraw/zinc/66/38/03/581663803.db2.gz	WREGWHDISKXAPN-UHFFFAOYSA-N	-1	0	255.274	0.223	20	30		CCEDRM
N#CC1(NC(=O)[C@H]2CCC[C@H](NC(=O)[O-])C2)CC1	ZINC000740310699	581664046	/nfs/dbraw/zinc/66/40/46/581664046.db2.gz	VRKIGZMUTRYYNI-IUCAKERBSA-N	-1	0	251.286	0.985	20	30		CCEDRM
N#CC1(C(=O)NC2CN(C(=O)[O-])C2)CCCCC1	ZINC000740310385	581664067	/nfs/dbraw/zinc/66/40/67/581664067.db2.gz	SVDBHVDEULUVRQ-UHFFFAOYSA-N	-1	0	251.286	0.939	20	30		CCEDRM
CC(C)n1ccc(Cn2c(N)nc(-c3nnn[n-]3)c2C#N)n1	ZINC000735965033	581677983	/nfs/dbraw/zinc/67/79/83/581677983.db2.gz	JCVJLSFPSJHJBI-UHFFFAOYSA-N	-1	0	298.314	0.343	20	30		CCEDRM
O=C([O-])N1CC(N=Nc2cn[nH]c(=O)c2Cl)C1	ZINC000740488293	581686537	/nfs/dbraw/zinc/68/65/37/581686537.db2.gz	JUBWURPKRWIMQC-UHFFFAOYSA-N	-1	0	257.637	0.597	20	30		CCEDRM
C#CCN(Cc1ccc(C(=O)[O-])o1)[C@H]1CCS(=O)(=O)C1	ZINC000736080352	581688265	/nfs/dbraw/zinc/68/82/65/581688265.db2.gz	UPPHTWZXWORZGE-JTQLQIEISA-N	-1	0	297.332	0.600	20	30		CCEDRM
C#CCCNC(=O)C(=O)Nc1ccc(C(=O)[O-])cc1F	ZINC000736077358	581695615	/nfs/dbraw/zinc/69/56/15/581695615.db2.gz	RNLFXUBKPSSART-UHFFFAOYSA-N	-1	0	278.239	0.602	20	30		CCEDRM
C=CCNC(=O)C(=O)Nc1ccc(C(=O)[O-])c(C)c1	ZINC000736106702	581696928	/nfs/dbraw/zinc/69/69/28/581696928.db2.gz	IEGDGUUIKAABCA-UHFFFAOYSA-N	-1	0	262.265	0.934	20	30		CCEDRM
C=CCN1C(=O)C(=O)N(Cc2cc(C(=O)[O-])co2)C1=O	ZINC000736107534	581697386	/nfs/dbraw/zinc/69/73/86/581697386.db2.gz	XSCJFNMLKLQLOJ-UHFFFAOYSA-N	-1	0	278.220	0.455	20	30		CCEDRM
NC(=O)CNN=Cc1ccc(OC(F)(F)C(=O)[O-])cc1	ZINC000758899023	581699865	/nfs/dbraw/zinc/69/98/65/581699865.db2.gz	RKMBCODSLSCPBA-UHFFFAOYSA-N	-1	0	287.222	0.152	20	30		CCEDRM
Cn1ncc2c1nc(N=NC[C@@H]1CCOC1)[n-]c2=O	ZINC000769817437	581708569	/nfs/dbraw/zinc/70/85/69/581708569.db2.gz	AMPFOEGOSLXJMA-ZETCQYMHSA-N	-1	0	262.273	0.503	20	30		CCEDRM
CC(=O)Nc1cc(C(=O)N(CC#N)CC(=O)[O-])ccc1F	ZINC000736158582	581709520	/nfs/dbraw/zinc/70/95/20/581709520.db2.gz	VFIMRZANEOTXJL-UHFFFAOYSA-N	-1	0	293.254	0.834	20	30		CCEDRM
CC(=O)Nc1ccc(CC(=O)N(CC#N)CC(=O)[O-])cc1	ZINC000736161882	581710413	/nfs/dbraw/zinc/71/04/13/581710413.db2.gz	LZKCJMCQJMXLMV-UHFFFAOYSA-N	-1	0	289.291	0.624	20	30		CCEDRM
C[C@@H](C#N)CN(C)C(=O)N[C@@H]1CCCN(C(=O)[O-])C1	ZINC000736200337	581713847	/nfs/dbraw/zinc/71/38/47/581713847.db2.gz	BSCDPOYWTFCTBJ-VHSXEESVSA-N	-1	0	268.317	0.930	20	30		CCEDRM
C=CCSCCNC(=O)Cn1[n-]cc2c(=O)ncnc1-2	ZINC000730532494	581718325	/nfs/dbraw/zinc/71/83/25/581718325.db2.gz	HNXINISVULALOA-UHFFFAOYSA-N	-1	0	293.352	0.107	20	30		CCEDRM
CC(C)[C@@](C)(C#N)NC(=O)CN1CCC[C@H]1C(=O)[O-]	ZINC000736348549	581746844	/nfs/dbraw/zinc/74/68/44/581746844.db2.gz	ALBIZFVFEWXXMX-GXFFZTMASA-N	-1	0	267.329	0.590	20	30		CCEDRM
CC(C)[C@](C)(C#N)NC(=O)COC(=O)CCNC(=O)[O-]	ZINC000736349996	581748427	/nfs/dbraw/zinc/74/84/27/581748427.db2.gz	SQFVMWSZARAWDM-LBPRGKRZSA-N	-1	0	285.300	0.242	20	30		CCEDRM
CCCN(C)S(=O)(=O)[N-]C(=O)c1ccc(C#N)s1	ZINC000770617065	581756947	/nfs/dbraw/zinc/75/69/47/581756947.db2.gz	RZWKBZKVRKFLMZ-UHFFFAOYSA-N	-1	0	287.366	0.936	20	30		CCEDRM
N#CC1(C(=O)[N-]O[C@H]2CCCCO2)CCOCC1	ZINC000731485608	581769571	/nfs/dbraw/zinc/76/95/71/581769571.db2.gz	VORBVEZPRYBVKD-JTQLQIEISA-N	-1	0	254.286	0.881	20	30		CCEDRM
CNC(=O)C(C#N)=C([O-])c1cc(F)cc([N+](=O)[O-])c1	ZINC000731546179	581770058	/nfs/dbraw/zinc/77/00/58/581770058.db2.gz	MCVVYASUCYXNPK-VIFPVBQESA-N	-1	0	265.200	0.802	20	30		CCEDRM
Cn1ccnc1C([O-])=C(C#N)C(=O)COC[C@@H]1CCCO1	ZINC000770865285	581775397	/nfs/dbraw/zinc/77/53/97/581775397.db2.gz	FAACIKLXORFUHS-WDEREUQCSA-N	-1	0	291.307	0.507	20	30		CCEDRM
Cn1ccnc1C([O-])=C(C#N)C(=O)CCn1cccn1	ZINC000770871173	581775628	/nfs/dbraw/zinc/77/56/28/581775628.db2.gz	IIKFGJNNUIPHDH-SNVBAGLBSA-N	-1	0	271.280	0.598	20	30		CCEDRM
CC(C)NC(=O)[C@H](C#N)C(=O)CCCNC(=O)[O-]	ZINC000736478066	581775833	/nfs/dbraw/zinc/77/58/33/581775833.db2.gz	ZFIFQYIJYGCJOQ-MRVPVSSYSA-N	-1	0	255.274	0.268	20	30		CCEDRM
CNC(=O)C(C#N)=C([O-])c1nc(C)n(-c2ccccc2)n1	ZINC000731767872	581781898	/nfs/dbraw/zinc/78/18/98/581781898.db2.gz	OXFLGROONBXNKV-LLVKDONJSA-N	-1	0	283.291	0.644	20	30		CCEDRM
CC[C@H](OC)C(=O)[N-]S(=O)(=O)CC1(C#N)CCC1	ZINC000771074254	581789650	/nfs/dbraw/zinc/78/96/50/581789650.db2.gz	BOYHEFFBROQDTQ-VIFPVBQESA-N	-1	0	274.342	0.551	20	30		CCEDRM
CC[C@H](C)OCC(=O)[N-]S(=O)(=O)CC1(C#N)CCC1	ZINC000771076098	581789674	/nfs/dbraw/zinc/78/96/74/581789674.db2.gz	OERQIISAYHJSHF-JTQLQIEISA-N	-1	0	288.369	0.941	20	30		CCEDRM
N#CC1(CS(=O)(=O)[N-]C(=O)C[C@@H]2CCCO2)CCC1	ZINC000771077069	581789702	/nfs/dbraw/zinc/78/97/02/581789702.db2.gz	BRDLLAVEUHQHNR-JTQLQIEISA-N	-1	0	286.353	0.695	20	30		CCEDRM
Cc1nn(C)cc1C(=O)[N-]S(=O)(=O)CC1(C#N)CCC1	ZINC000771081187	581790446	/nfs/dbraw/zinc/79/04/46/581790446.db2.gz	UTFADJYNAYBPCJ-UHFFFAOYSA-N	-1	0	296.352	0.482	20	30		CCEDRM
C[C@H](CNC(=O)CNc1ccc(C#N)cc1)C(=O)[O-]	ZINC000736594812	581801426	/nfs/dbraw/zinc/80/14/26/581801426.db2.gz	AXFALSJOMCOOJQ-SECBINFHSA-N	-1	0	261.281	0.807	20	30		CCEDRM
C[C@](NC(=O)c1ccc(C#N)nc1)(C(=O)[O-])C1CC1	ZINC000736653190	581812038	/nfs/dbraw/zinc/81/20/38/581812038.db2.gz	VJGAQEXFQLNYLJ-CYBMUJFWSA-N	-1	0	259.265	0.936	20	30		CCEDRM
C=CCS(=O)(=O)[N-]C(=O)[C@H](C)c1c(C)nn(C)c1C	ZINC000772712511	581885415	/nfs/dbraw/zinc/88/54/15/581885415.db2.gz	DAXOQIDBJUEABV-MRVPVSSYSA-N	-1	0	285.369	0.772	20	30		CCEDRM
C=CCS(=O)(=O)[N-]C(=O)C(=O)c1cnn(C(C)(C)C)c1	ZINC000772720764	581886790	/nfs/dbraw/zinc/88/67/90/581886790.db2.gz	RYOXAXHFPVULOX-UHFFFAOYSA-N	-1	0	299.352	0.453	20	30		CCEDRM
C=CCCO[C@@H](C)C(=O)N1CCSC[C@H]1c1nnn[n-]1	ZINC000773163266	581911820	/nfs/dbraw/zinc/91/18/20/581911820.db2.gz	UOCIVBQGMICMQY-UWVGGRQHSA-N	-1	0	297.384	0.797	20	30		CCEDRM
C=CCN(CC(=O)[O-])C(=O)c1ccc2[nH]c(=O)n(C)c2c1	ZINC000762050206	581929546	/nfs/dbraw/zinc/92/95/46/581929546.db2.gz	LTRWGYBXEXGVIR-UHFFFAOYSA-N	-1	0	289.291	0.992	20	30		CCEDRM
COCCNC(=O)C(C#N)=C([O-])c1ccc2c(c1)COC2	ZINC000747560917	581945404	/nfs/dbraw/zinc/94/54/04/581945404.db2.gz	JCFGEVKROYLQSQ-ZDUSSCGKSA-N	-1	0	288.303	0.802	20	30		CCEDRM
CCn1nccc1C([O-])=C(C#N)C(=O)NCCCOC	ZINC000773965882	581950037	/nfs/dbraw/zinc/95/00/37/581950037.db2.gz	CDOUDGQAZNCTEA-SNVBAGLBSA-N	-1	0	278.312	0.378	20	30		CCEDRM
CN(CCCC(=O)Nc1ccncc1C#N)C(=O)[O-]	ZINC000737430720	581956901	/nfs/dbraw/zinc/95/69/01/581956901.db2.gz	GLTOWPCMHAUBIK-UHFFFAOYSA-N	-1	0	262.269	0.704	20	30		CCEDRM
O=C([O-])c1ccc(N=NC2CCS(=O)(=O)C2)nc1	ZINC000763372116	581996643	/nfs/dbraw/zinc/99/66/43/581996643.db2.gz	TTXZZIBDPCWDQY-UHFFFAOYSA-N	-1	0	269.282	0.366	20	30		CCEDRM
COc1ccc(CC(=O)N(CC#N)CC(=O)[O-])cc1	ZINC000737983809	582012502	/nfs/dbraw/zinc/01/25/02/582012502.db2.gz	YHLJWMLNFOCBMB-UHFFFAOYSA-N	-1	0	262.265	0.674	20	30		CCEDRM
CC(=NN[C@@H](C)CO)c1ccc([O-])c([N+](=O)[O-])c1	ZINC000749622220	582016005	/nfs/dbraw/zinc/01/60/05/582016005.db2.gz	ROMNDPOEGSCIOB-ZETCQYMHSA-N	-1	0	253.258	0.995	20	30		CCEDRM
C=CCOc1cccnc1C(=O)[N-]S(=O)(=O)N(C)CC	ZINC000775249245	582016571	/nfs/dbraw/zinc/01/65/71/582016571.db2.gz	SQBXILLDLPAAAO-UHFFFAOYSA-N	-1	0	299.352	0.573	20	30		CCEDRM
COc1cccc(OCC(=O)N(CC#N)CC(=O)[O-])c1	ZINC000738110065	582022497	/nfs/dbraw/zinc/02/24/97/582022497.db2.gz	ZGORGMPDUWKLLH-UHFFFAOYSA-N	-1	0	278.264	0.511	20	30		CCEDRM
C[C@H](CO)NN=Cc1cccc(OCCC(=O)[O-])c1	ZINC000749820379	582023742	/nfs/dbraw/zinc/02/37/42/582023742.db2.gz	CJLKBUHDJRPRIJ-SNVBAGLBSA-N	-1	0	266.297	0.844	20	30		CCEDRM
N#CCOc1ccccc1C(=O)N1CCO[C@H](C(=O)[O-])C1	ZINC000738425676	582048267	/nfs/dbraw/zinc/04/82/67/582048267.db2.gz	JVLRLGFSMAXDAL-LBPRGKRZSA-N	-1	0	290.275	0.515	20	30		CCEDRM
N#Cc1ccc(C(=O)NCC(=O)OCCCC(=O)[O-])cc1	ZINC000738431353	582048825	/nfs/dbraw/zinc/04/88/25/582048825.db2.gz	XIGOFKZCCYNCLF-UHFFFAOYSA-N	-1	0	290.275	0.696	20	30		CCEDRM
CCO[C@@H]1C[C@@H]1C(=O)[N-]S(=O)(=O)CC(C)(C)C#N	ZINC000776143225	582053988	/nfs/dbraw/zinc/05/39/88/582053988.db2.gz	UULMGORQJMAJBQ-DTWKUNHWSA-N	-1	0	274.342	0.407	20	30		CCEDRM
CC[C@@H](OC)C(=O)[N-]S(=O)(=O)CC(C)(C)C#N	ZINC000776145283	582054564	/nfs/dbraw/zinc/05/45/64/582054564.db2.gz	APFSCNJQYCQZIQ-MRVPVSSYSA-N	-1	0	262.331	0.407	20	30		CCEDRM
C=CCOCC(=O)N[C@H]1CCC[C@@H]1CNC(=O)[O-]	ZINC000738492313	582056127	/nfs/dbraw/zinc/05/61/27/582056127.db2.gz	UDFYOOQXHWHIMS-ZJUUUORDSA-N	-1	0	256.302	0.742	20	30		CCEDRM
C[C@@H](C(=O)N(C)CCC#N)N1CCN(C(=O)[O-])[C@@H](C)C1	ZINC000738605980	582065675	/nfs/dbraw/zinc/06/56/75/582065675.db2.gz	ZBYNIVRLTDSXFV-QWRGUYRKSA-N	-1	0	282.344	0.431	20	30		CCEDRM
Cc1cccc(CS(=O)(=O)N(CC#N)CC(=O)[O-])c1	ZINC000738717464	582071475	/nfs/dbraw/zinc/07/14/75/582071475.db2.gz	KOZXELRGONGIJZ-UHFFFAOYSA-N	-1	0	282.321	0.735	20	30		CCEDRM
C[C@H]1C[C@@H](C(=O)[N-]S(=O)(=O)CC(C)(C)C#N)CCO1	ZINC000776561746	582077723	/nfs/dbraw/zinc/07/77/23/582077723.db2.gz	WXBTZMRXFNXRQM-UWVGGRQHSA-N	-1	0	288.369	0.797	20	30		CCEDRM
CC(C)N(CCC(=O)n1ncc(C#N)c1N)C(=O)[O-]	ZINC000738843936	582082143	/nfs/dbraw/zinc/08/21/43/582082143.db2.gz	GDJBMIJCSDMSFL-UHFFFAOYSA-N	-1	0	265.273	0.756	20	30		CCEDRM
C[C@H](CNC(=O)[O-])N(C)C(=O)c1ccc(C#N)nc1	ZINC000738934165	582091196	/nfs/dbraw/zinc/09/11/96/582091196.db2.gz	NNACIYRMISHOQH-MRVPVSSYSA-N	-1	0	262.269	0.681	20	30		CCEDRM
Cn1cc(CCn2cc(C(=O)[O-])cc(C#N)c2=O)cn1	ZINC000739028824	582098414	/nfs/dbraw/zinc/09/84/14/582098414.db2.gz	NQUONPOUBDSCAI-UHFFFAOYSA-N	-1	0	272.264	0.394	20	30		CCEDRM
N#CCCCOc1cccnc1NC(=O)CNC(=O)[O-]	ZINC000739073134	582100925	/nfs/dbraw/zinc/10/09/25/582100925.db2.gz	PSAHNMCCCPWELQ-UHFFFAOYSA-N	-1	0	278.268	0.970	20	30		CCEDRM
N#CCCNC(=O)COC(=O)c1cccc(NC(=O)[O-])c1	ZINC000739075236	582101186	/nfs/dbraw/zinc/10/11/86/582101186.db2.gz	BPDRELCYUAVJJP-UHFFFAOYSA-N	-1	0	291.263	0.963	20	30		CCEDRM
N#CCN(CC(=O)[O-])C(=O)CNC(=O)CC1CCCCC1	ZINC000739078451	582101371	/nfs/dbraw/zinc/10/13/71/582101371.db2.gz	HFABXHSFABMLKH-UHFFFAOYSA-N	-1	0	295.339	0.510	20	30		CCEDRM
N#CCN(CC(=O)[O-])C(=O)c1ccc2n[nH]nc2c1	ZINC000739087700	582102137	/nfs/dbraw/zinc/10/21/37/582102137.db2.gz	PEIHHJIWHXWBDE-UHFFFAOYSA-N	-1	0	259.225	0.008	20	30		CCEDRM
N#CCN(CC(=O)[O-])C(=O)c1cccc([N+](=O)[O-])c1	ZINC000739088722	582102178	/nfs/dbraw/zinc/10/21/78/582102178.db2.gz	ZHRGQSVQVYUBKE-UHFFFAOYSA-N	-1	0	263.209	0.645	20	30		CCEDRM
CN1C(=O)CN(N=Cc2ccc([N+](=O)[O-])c([O-])c2)C1=O	ZINC000768381077	582106168	/nfs/dbraw/zinc/10/61/68/582106168.db2.gz	VBSOJQPHIOPMHO-UHFFFAOYSA-N	-1	0	278.224	0.528	20	30		CCEDRM
CN1C(=O)CN(N=Cc2cccc(OCC(=O)[O-])c2)C1=O	ZINC000768380286	582106178	/nfs/dbraw/zinc/10/61/78/582106178.db2.gz	MGUGNCADLKGMAP-UHFFFAOYSA-N	-1	0	291.263	0.378	20	30		CCEDRM
CN1C(=O)CN(N=Cc2ccccc2OCC(=O)[O-])C1=O	ZINC000768385027	582106262	/nfs/dbraw/zinc/10/62/62/582106262.db2.gz	KPWQPUBMCWCVRL-UHFFFAOYSA-N	-1	0	291.263	0.378	20	30		CCEDRM
C=C(Br)CN1CCO[C@@H](C(=O)[O-])C1	ZINC000043705032	613235661	/nfs/dbraw/zinc/23/56/61/613235661.db2.gz	NOGDFIFITBWZHS-SSDOTTSWSA-N	-1	0	250.092	0.680	20	30		CCEDRM
C=C(C)C[C@@H](NS(=O)(=O)[C@@H](C)COC)C(=O)OCC	ZINC000882645339	613356938	/nfs/dbraw/zinc/35/69/38/613356938.db2.gz	ZONBPDKOBRYXAO-WDEREUQCSA-N	-1	0	293.385	0.839	20	30		CCEDRM
N#CCCCNC(=O)N1CCC[C@@H]1CNC(=O)[O-]	ZINC000833969154	605422645	/nfs/dbraw/zinc/42/26/45/605422645.db2.gz	RWSZAXBBRGWQDF-SECBINFHSA-N	-1	0	254.290	0.732	20	30		CCEDRM
CCOC(=O)[C@@H](C)OC(=O)[C@@](C)(C#N)CC(=O)[O-]	ZINC000820361220	615268103	/nfs/dbraw/zinc/26/81/03/615268103.db2.gz	WEOLXABFKFSJMO-RDDDGLTNSA-N	-1	0	257.242	0.486	20	30		CCEDRM
N#Cc1cccc(CNC(=O)CSCC(=O)[O-])c1	ZINC000158209598	597086204	/nfs/dbraw/zinc/08/62/04/597086204.db2.gz	JJRFBJILQRQROY-UHFFFAOYSA-N	-1	0	264.306	0.992	20	30		CCEDRM
COc1cc(C(C)=NNCCO)cc([N+](=O)[O-])c1[O-]	ZINC000814942482	617173480	/nfs/dbraw/zinc/17/34/80/617173480.db2.gz	DKGSEDRQBYMTIX-UHFFFAOYSA-N	-1	0	269.257	0.615	20	30		CCEDRM
Cn1nccc1COC(=O)[C@@](C)(C#N)CC(=O)[O-]	ZINC000821315222	597603165	/nfs/dbraw/zinc/60/31/65/597603165.db2.gz	KMIGXZOFQRUCKO-LLVKDONJSA-N	-1	0	251.242	0.468	20	30		CCEDRM
C[C@@](C#N)(CC(=O)[O-])C(=O)NC[C@@H]1COC2(CCCC2)O1	ZINC000819834197	597607080	/nfs/dbraw/zinc/60/70/80/597607080.db2.gz	LPXYRHATGAKSIL-MFKMUULPSA-N	-1	0	296.323	0.793	20	30		CCEDRM
C[C@](C#N)(CC(=O)[O-])C(=O)OCC(=O)NCC1CC1	ZINC000819865030	597612791	/nfs/dbraw/zinc/61/27/91/597612791.db2.gz	GIQOUGQKTTWZPX-GFCCVEGCSA-N	-1	0	268.269	0.060	20	30		CCEDRM
Cc1nnc(CNC(=O)[C@](C)(C#N)CC(=O)[O-])s1	ZINC000821225024	597627698	/nfs/dbraw/zinc/62/76/98/597627698.db2.gz	QNTGOZAMWGGJEJ-JTQLQIEISA-N	-1	0	268.298	0.467	20	30		CCEDRM
C[C@@](C#N)(CC(=O)[O-])C(=O)NCCCn1ccnc1	ZINC000819834251	597628180	/nfs/dbraw/zinc/62/81/80/597628180.db2.gz	MFGQPLBNWVQZIQ-LBPRGKRZSA-N	-1	0	264.285	0.394	20	30		CCEDRM
C[C@](C#N)(CC(=O)[O-])C(=O)NC[C@H](O)c1ccco1	ZINC000819835541	597633681	/nfs/dbraw/zinc/63/36/81/597633681.db2.gz	WIUBQDUZAFRZSX-QPUJVOFHSA-N	-1	0	266.253	0.434	20	30		CCEDRM
C[C@](C#N)(CC(=O)[O-])C(=O)N1CCC[C@H](C2OCCO2)C1	ZINC000819811642	597642627	/nfs/dbraw/zinc/64/26/27/597642627.db2.gz	SSFHYOSGZWIZNM-IINYFYTJSA-N	-1	0	296.323	0.602	20	30		CCEDRM
C[C@](C#N)(CC(=O)[O-])C(=O)NC[C@@H]1CCC[C@@H](O)C1	ZINC000819833550	597649474	/nfs/dbraw/zinc/64/94/74/597649474.db2.gz	HSELSUJYGCASDL-GIPNMCIBSA-N	-1	0	268.313	0.658	20	30		CCEDRM
C[C@](C#N)(CC(=O)[O-])C(=O)NC[C@@H]1CSCCS1	ZINC000819833852	597654098	/nfs/dbraw/zinc/65/40/98/597654098.db2.gz	JMEBGIHQKZLYFG-LDYMZIIASA-N	-1	0	288.394	0.956	20	30		CCEDRM
Cc1cc(C[C@@H](C)NC(=O)[C@](C)(C#N)CC(=O)[O-])[nH]n1	ZINC000820976336	597657914	/nfs/dbraw/zinc/65/79/14/597657914.db2.gz	BLAOZWZSVMAINW-OQPBUACISA-N	-1	0	278.312	0.770	20	30		CCEDRM
C[C@H](NC(=O)[C@](C)(C#N)CC(=O)[O-])c1cn[nH]c1	ZINC000820115860	597660213	/nfs/dbraw/zinc/66/02/13/597660213.db2.gz	ZTHBXVHXYVXOOT-CPCISQLKSA-N	-1	0	250.258	0.591	20	30		CCEDRM
Cc1cc(C)n(C2CN(C(=O)[C@@](C)(C#N)CC(=O)[O-])C2)n1	ZINC000820972451	597667688	/nfs/dbraw/zinc/66/76/88/597667688.db2.gz	MZDQIDZCWAVUMM-CQSZACIVSA-N	-1	0	290.323	0.888	20	30		CCEDRM
N#Cc1ccc([C@@H](O)C(=O)NCCCCC(=O)[O-])cc1	ZINC000821329736	597671225	/nfs/dbraw/zinc/67/12/25/597671225.db2.gz	IFTHZZRHLMZEBB-CYBMUJFWSA-N	-1	0	276.292	0.963	20	30		CCEDRM
O=C([O-])CCNN=Cc1cc2c(cc1[N+](=O)[O-])OCCO2	ZINC000821524468	597739822	/nfs/dbraw/zinc/73/98/22/597739822.db2.gz	JWNULYFZPGDVPW-UHFFFAOYSA-N	-1	0	295.251	0.764	20	30		CCEDRM
O=C([O-])CCNN=Cc1cc(-c2cccnc2)[nH]n1	ZINC000821525466	597743185	/nfs/dbraw/zinc/74/31/85/597743185.db2.gz	WSWJNOFCEWENOD-UHFFFAOYSA-N	-1	0	259.269	0.870	20	30		CCEDRM
C[C@H](C#N)Oc1ccccc1NCC(=O)NCC(=O)[O-]	ZINC000819874365	597749588	/nfs/dbraw/zinc/74/95/88/597749588.db2.gz	KILRCQQCPZHHQW-SECBINFHSA-N	-1	0	277.280	0.590	20	30		CCEDRM
N#CCSCC(=O)OC[C@@H]1CCCN1CC(=O)[O-]	ZINC000821324336	598069048	/nfs/dbraw/zinc/06/90/48/598069048.db2.gz	ALFVVFKTRCKNBO-VIFPVBQESA-N	-1	0	272.326	0.335	20	30		CCEDRM
N#Cc1ccc2ncc(CN3CCO[C@H](C(=O)[O-])C3)n2c1	ZINC000821335917	598124273	/nfs/dbraw/zinc/12/42/73/598124273.db2.gz	AYDSFKBCFDIBHR-LBPRGKRZSA-N	-1	0	286.291	0.491	20	30		CCEDRM
C#CCOCCNC(=O)c1ccc(C(=O)[O-])s1	ZINC000833365997	612988779	/nfs/dbraw/zinc/98/87/79/612988779.db2.gz	AYTJUVALILYFBN-UHFFFAOYSA-N	-1	0	253.279	0.826	20	30		CCEDRM
C[C@@](C#N)(CC(=O)[O-])C(=O)Nc1ncc(C(N)=O)s1	ZINC000819865445	598223252	/nfs/dbraw/zinc/22/32/52/598223252.db2.gz	LFRDBNDIOCJYSK-JTQLQIEISA-N	-1	0	282.281	0.185	20	30		CCEDRM
C[C@@](C#N)(CC(=O)[O-])C(=O)N1CC[C@]2(CCOC2)C1	ZINC000819811092	598229948	/nfs/dbraw/zinc/22/99/48/598229948.db2.gz	JTRJUCDOLWFOOQ-STQMWFEESA-N	-1	0	266.297	0.630	20	30		CCEDRM
C[C@H](CO[C@@H]1CCOC1)NC(=O)[C@](C)(C#N)CC(=O)[O-]	ZINC000820101718	598230026	/nfs/dbraw/zinc/23/00/26/598230026.db2.gz	CANJUFQWKRSSKL-BREBYQMCSA-N	-1	0	284.312	0.301	20	30		CCEDRM
C[C@](C#N)(CC(=O)[O-])C(=O)Nc1ccc(C(N)=O)nc1	ZINC000819847596	598230398	/nfs/dbraw/zinc/23/03/98/598230398.db2.gz	NNLBHYYJAJCXOY-GFCCVEGCSA-N	-1	0	276.252	0.124	20	30		CCEDRM
C[C@H](NC(=O)[C@@](C)(C#N)CC(=O)[O-])C(=O)OC(C)(C)C	ZINC000820115543	598230941	/nfs/dbraw/zinc/23/09/41/598230941.db2.gz	XDSCMPUTFHDORN-ISVAXAHUSA-N	-1	0	284.312	0.837	20	30		CCEDRM
C#CCO[N-]C(=O)[C@H](C#N)Cc1ccc(C#N)cc1	ZINC000812787592	612993002	/nfs/dbraw/zinc/99/30/02/612993002.db2.gz	ZJVDWLMGRNQCTG-ZDUSSCGKSA-N	-1	0	253.261	0.922	20	30		CCEDRM
C#CCO[C@H](C)C(=O)NC1(CC(=O)[O-])CCCC1	ZINC000909709725	613001021	/nfs/dbraw/zinc/00/10/21/613001021.db2.gz	WYCHEQWTGNYIHZ-SNVBAGLBSA-N	-1	0	253.298	0.928	20	30		CCEDRM
N#C[C@]1(NC(=O)CCCNC(=O)[O-])CCSC1	ZINC000739066493	599753925	/nfs/dbraw/zinc/75/39/25/599753925.db2.gz	NFFWAULURJOGFA-SNVBAGLBSA-N	-1	0	257.315	0.550	20	30		CCEDRM
N#C[C@@H]1CN(C(=O)c2ccc(C(=O)[O-])s2)CCO1	ZINC000093937595	599952875	/nfs/dbraw/zinc/95/28/75/599952875.db2.gz	RNTHXSINYDVCOY-SSDOTTSWSA-N	-1	0	266.278	0.811	20	30		CCEDRM
C#CCNC(=O)N1C[C@H](C(=O)[O-])C[C@H](c2cnn(C)c2)C1	ZINC000864345255	612946751	/nfs/dbraw/zinc/94/67/51/612946751.db2.gz	RPHRROFOYURPQB-WDEREUQCSA-N	-1	0	290.323	0.253	20	30		CCEDRM
N#C[C@H]1CN(C(=S)NCCCC(=O)[O-])CCN1C1CC1	ZINC000739069246	600446528	/nfs/dbraw/zinc/44/65/28/600446528.db2.gz	OFPZDOVEPPCSOD-NSHDSACASA-N	-1	0	296.396	0.398	20	30		CCEDRM
Cc1cc(S(=O)(=O)N(CC#N)CC#N)ccc1C(=O)[O-]	ZINC000312330594	600731607	/nfs/dbraw/zinc/73/16/07/600731607.db2.gz	DSUPHDHWSGBDSR-UHFFFAOYSA-N	-1	0	293.304	0.731	20	30		CCEDRM
C#CCN(CC#CC)CC(=O)N[C@@H](C(=O)[O-])[C@H](C)CC	ZINC000825608513	600836520	/nfs/dbraw/zinc/83/65/20/600836520.db2.gz	AZUZBHKQRRMUOF-TZMCWYRMSA-N	-1	0	278.352	0.560	20	30		CCEDRM
N#Cc1ccc(C(=O)N[C@H](C(=O)[O-])c2ccccn2)cn1	ZINC000833070359	600912742	/nfs/dbraw/zinc/91/27/42/600912742.db2.gz	AVERPZJUEOUMAW-LBPRGKRZSA-N	-1	0	282.259	0.904	20	30		CCEDRM
N#CCN1CCC(NC(=O)[C@H]2CCC[C@@H](C(=O)[O-])C2)CC1	ZINC000833066924	600940175	/nfs/dbraw/zinc/94/01/75/600940175.db2.gz	LETZQISLHKKWFR-NWDGAFQWSA-N	-1	0	293.367	0.982	20	30		CCEDRM
C[C@H](C#N)CNS(=O)(=O)c1cc(C(=O)[O-])ccc1F	ZINC000054156586	600989710	/nfs/dbraw/zinc/98/97/10/600989710.db2.gz	XZKLFYOXXUQTBY-SSDOTTSWSA-N	-1	0	286.284	0.962	20	30		CCEDRM
N#CCN(CC(=O)[O-])Cc1nnnn1-c1ccccc1	ZINC000833067112	601002684	/nfs/dbraw/zinc/00/26/84/601002684.db2.gz	PYJWUDCFGDTVTE-UHFFFAOYSA-N	-1	0	272.268	0.072	20	30		CCEDRM
Cn1cc(C#N)cc1C(=O)Nc1cnn(CC(=O)[O-])c1	ZINC000833040694	601255593	/nfs/dbraw/zinc/25/55/93/601255593.db2.gz	POLGBVDNFZDVCU-UHFFFAOYSA-N	-1	0	273.252	0.430	20	30		CCEDRM
C[C@H](CS(=O)(=O)Oc1ccccc1C#N)C(=O)[O-]	ZINC000827569975	601272398	/nfs/dbraw/zinc/27/23/98/601272398.db2.gz	CGXSDSURPUDPGL-MRVPVSSYSA-N	-1	0	269.278	0.988	20	30		CCEDRM
C[C@H]1CN(S(=O)(=O)c2ccc(C#N)cc2)C[C@H]1C(=O)[O-]	ZINC000251835953	601589654	/nfs/dbraw/zinc/58/96/54/601589654.db2.gz	PYNYYSDURKZXBU-JOYOIKCWSA-N	-1	0	294.332	0.899	20	30		CCEDRM
N#Cc1ccsc1C(=O)N[C@@]1(C(=O)[O-])CCOC1	ZINC000833076594	601738672	/nfs/dbraw/zinc/73/86/72/601738672.db2.gz	JSBRKYRGQXXLBR-NSHDSACASA-N	-1	0	266.278	0.593	20	30		CCEDRM
CC(C)N(CCC#N)S(=O)(=O)C[C@H](C)C(=O)[O-]	ZINC000827531816	601786991	/nfs/dbraw/zinc/78/69/91/601786991.db2.gz	DOIKMAUUZUBQQO-VIFPVBQESA-N	-1	0	262.331	0.661	20	30		CCEDRM
C[C@@H]1CN(C(=O)Nc2nn(C)cc2C#N)C[C@H]1C(=O)[O-]	ZINC000828384803	601797336	/nfs/dbraw/zinc/79/73/36/601797336.db2.gz	CGOVVBWBHQUYGF-VXNVDRBHSA-N	-1	0	277.284	0.476	20	30		CCEDRM
C#CCN(C1CCCC1)S(=O)(=O)N(C)CCC(=O)[O-]	ZINC000688875687	601811868	/nfs/dbraw/zinc/81/18/68/601811868.db2.gz	OPAUKETUADFYFQ-UHFFFAOYSA-N	-1	0	288.369	0.516	20	30		CCEDRM
C#CCSCCN=c1nn[n-]n1Cc1ccccc1	ZINC000892641167	613015513	/nfs/dbraw/zinc/01/55/13/613015513.db2.gz	SIVDBCBAAKWEIC-UHFFFAOYSA-N	-1	0	273.365	0.922	20	30		CCEDRM
C#CCCCCNS(=O)(=O)c1cnn(CC(=O)[O-])c1	ZINC000229623258	602122433	/nfs/dbraw/zinc/12/24/33/602122433.db2.gz	PMKJNYNRLMUYMH-UHFFFAOYSA-N	-1	0	285.325	0.050	20	30		CCEDRM
C[C@H](C#N)C(=O)Nc1cc(C(=O)[O-])cc(S(C)(=O)=O)c1	ZINC000825967693	602250946	/nfs/dbraw/zinc/25/09/46/602250946.db2.gz	YVGRKNPQOVBSFA-SSDOTTSWSA-N	-1	0	296.304	0.886	20	30		CCEDRM
N#Cc1cnn(C(=O)[C@@H]2CC[C@@H](NC(=O)[O-])C2)c1N	ZINC000831161755	603520955	/nfs/dbraw/zinc/52/09/55/603520955.db2.gz	KZIWDVRNGSYSRL-HTRCEHHLSA-N	-1	0	263.257	0.413	20	30		CCEDRM
N#Cc1cnn(C(=O)[C@@H]2CCC[C@H](NC(=O)[O-])C2)c1N	ZINC000831162262	603521247	/nfs/dbraw/zinc/52/12/47/603521247.db2.gz	ZPMOLNVVLOVIPN-APPZFPTMSA-N	-1	0	277.284	0.804	20	30		CCEDRM
C[C@H](NC(=S)NN=C1CN(C(=O)[O-])C1)C1CC1	ZINC000825465519	603579036	/nfs/dbraw/zinc/57/90/36/603579036.db2.gz	LOFPPDWUYISJNB-LURJTMIESA-N	-1	0	256.331	0.599	20	30		CCEDRM
Cc1nc(CC(=O)N2CCN(C(=O)[O-])C[C@H]2C#N)cs1	ZINC000830737580	603590469	/nfs/dbraw/zinc/59/04/69/603590469.db2.gz	KFJRMNZXLWQNCB-SNVBAGLBSA-N	-1	0	294.336	0.708	20	30		CCEDRM
N#C[C@@H]1CN(C(=O)[O-])CCN1C(=O)CC[C@@H]1CCCO1	ZINC000831081872	603590577	/nfs/dbraw/zinc/59/05/77/603590577.db2.gz	CCMPVACUNUJTSF-MNOVXSKESA-N	-1	0	281.312	0.660	20	30		CCEDRM
N#CCN(CN1C[C@H]2CN(C(=O)[O-])CCN2C1=O)C1CC1	ZINC000831097039	603601124	/nfs/dbraw/zinc/60/11/24/603601124.db2.gz	CFHFOJDELKXFBA-LLVKDONJSA-N	-1	0	293.327	0.032	20	30		CCEDRM
N#C[C@@H]1CN(C(=O)[O-])CCN1CC(=O)Nc1ccccc1	ZINC000831092840	603728409	/nfs/dbraw/zinc/72/84/09/603728409.db2.gz	ZFFCDPPWCCJBOK-GFCCVEGCSA-N	-1	0	288.307	0.813	20	30		CCEDRM
C[C@@H]1CCCN(CC(=O)NCCC#N)[C@H]1CNC(=O)[O-]	ZINC000825923907	603729467	/nfs/dbraw/zinc/72/94/67/603729467.db2.gz	AGXFCPSFMRYJDZ-MNOVXSKESA-N	-1	0	282.344	0.384	20	30		CCEDRM
N#Cc1ccc(F)c(CNC(=O)NCCNC(=O)[O-])c1	ZINC000831132008	603746772	/nfs/dbraw/zinc/74/67/72/603746772.db2.gz	JUFWAEUGPNIKGQ-UHFFFAOYSA-N	-1	0	280.259	0.764	20	30		CCEDRM
Cc1nc(-c2nnn[n-]2)c(N=NC2CCO[C@@H]2C)o1	ZINC000826322917	607653668	/nfs/dbraw/zinc/65/36/68/607653668.db2.gz	HKTBRGUEJLTKEE-RXMQYKEDSA-N	-1	0	263.261	0.740	20	30		CCEDRM
N#Cc1c[nH]c(C(=O)N2CCC[C@@H](NC(=O)[O-])C2)c1	ZINC000831113415	603856167	/nfs/dbraw/zinc/85/61/67/603856167.db2.gz	BPEOQWNZGRHFLS-SECBINFHSA-N	-1	0	262.269	0.759	20	30		CCEDRM
O=C([O-])N1CCC(C=NN[C@@H]2CCS(=O)(=O)C2)CC1	ZINC000831868684	603856625	/nfs/dbraw/zinc/85/66/25/603856625.db2.gz	BFWCKJNBTZRMCA-SNVBAGLBSA-N	-1	0	289.357	0.139	20	30		CCEDRM
N#CCNC(=O)C[C@H](Cc1ccccc1)NC(=O)[O-]	ZINC000831102388	603964810	/nfs/dbraw/zinc/96/48/10/603964810.db2.gz	IVNKWEJXJYPYOJ-NSHDSACASA-N	-1	0	261.281	0.895	20	30		CCEDRM
N#Cc1ccc(Cn2nnnc2CNC(=O)[O-])c(F)c1	ZINC000831132438	604031583	/nfs/dbraw/zinc/03/15/83/604031583.db2.gz	WUBDEWGUPXNKAX-UHFFFAOYSA-N	-1	0	276.231	0.500	20	30		CCEDRM
Cc1cc(=O)c(C(=O)N2CCN(C(=O)[O-])C[C@H]2C#N)c[nH]1	ZINC000829899497	604074333	/nfs/dbraw/zinc/07/43/33/604074333.db2.gz	GZHQSFAMZFZTOO-SECBINFHSA-N	-1	0	290.279	0.011	20	30		CCEDRM
C[C@H](OC(=O)CC1CN(C(=O)[O-])C1)C(=O)N(C)CCC#N	ZINC000825578941	604097042	/nfs/dbraw/zinc/09/70/42/604097042.db2.gz	HVCRUJWHBSFNBH-VIFPVBQESA-N	-1	0	297.311	0.290	20	30		CCEDRM
N#CCN(CC(=O)[O-])C(=O)c1ncc(C#N)cc1Cl	ZINC000833065477	604432362	/nfs/dbraw/zinc/43/23/62/604432362.db2.gz	ABWVPMGZXKCPCU-UHFFFAOYSA-N	-1	0	278.655	0.657	20	30		CCEDRM
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C#CC[C@@H](NC(=O)NCC(=O)[N-]OC)c1ccccc1	ZINC000921665810	613040479	/nfs/dbraw/zinc/04/04/79/613040479.db2.gz	JWVRHFLAJQMAAB-GFCCVEGCSA-N	-1	0	275.308	0.728	20	30		CCEDRM
CC(C)CN(CCC#N)CCc1cn(CC(=O)[O-])nn1	ZINC000833487861	604897338	/nfs/dbraw/zinc/89/73/38/604897338.db2.gz	KNGYUESSHVGHJC-UHFFFAOYSA-N	-1	0	279.344	0.777	20	30		CCEDRM
CC(C)(NS(=O)(=O)c1cccc(F)c1C#N)C(=O)[O-]	ZINC000070393986	605016000	/nfs/dbraw/zinc/01/60/00/605016000.db2.gz	SGPJOGXUCHCLNZ-UHFFFAOYSA-N	-1	0	286.284	0.839	20	30		CCEDRM
CC(C)(C#N)CNS(=O)(=O)c1cc(C(=O)[O-])co1	ZINC000694182216	605084030	/nfs/dbraw/zinc/08/40/30/605084030.db2.gz	BUXUHTSMSBKSRL-UHFFFAOYSA-N	-1	0	272.282	0.806	20	30		CCEDRM
CN(Cc1ccc(C#N)cc1)CN1C[C@@H](C(=O)[O-])CC1=O	ZINC000833696545	605169805	/nfs/dbraw/zinc/16/98/05/605169805.db2.gz	NHOBWSLDBBMSKE-ZDUSSCGKSA-N	-1	0	287.319	0.881	20	30		CCEDRM
C=C(COC(=O)[C@@H]1CN(C(=O)[O-])CCO1)C(=O)OCC	ZINC000823480425	605204365	/nfs/dbraw/zinc/20/43/65/605204365.db2.gz	BTOWBRLCZWTBFT-VIFPVBQESA-N	-1	0	287.268	0.028	20	30		CCEDRM
C=CCNC(=O)CNC(=O)NC1CCC(C(=O)[O-])CC1	ZINC000393828461	605243940	/nfs/dbraw/zinc/24/39/40/605243940.db2.gz	UPMDGARGOQSAFK-UHFFFAOYSA-N	-1	0	283.328	0.231	20	30		CCEDRM
N#C[C@@H]1CCC[C@H]1NC(=O)CCOC1CN(C(=O)[O-])C1	ZINC000833963911	605309427	/nfs/dbraw/zinc/30/94/27/605309427.db2.gz	WJPOPENHCXNYHD-GXSJLCMTSA-N	-1	0	281.312	0.564	20	30		CCEDRM
C[C@H](C#N)CNC(=O)C[C@@H]1CSCCN1C(=O)[O-]	ZINC000823647787	605318739	/nfs/dbraw/zinc/31/87/39/605318739.db2.gz	NTVDBTZGHLMGQI-RKDXNWHRSA-N	-1	0	271.342	0.748	20	30		CCEDRM
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N#CCNC(=O)CSCC1CCN(C(=O)[O-])CC1	ZINC000833966214	605410948	/nfs/dbraw/zinc/41/09/48/605410948.db2.gz	CAYNFHZQJHTXOP-UHFFFAOYSA-N	-1	0	271.342	0.749	20	30		CCEDRM
C[C@@H](CS(=O)(=O)N1CCC[C@](C)(C#N)C1)C(=O)[O-]	ZINC000833520025	605413162	/nfs/dbraw/zinc/41/31/62/605413162.db2.gz	RHJQEAGIOWGXIN-GXSJLCMTSA-N	-1	0	274.342	0.663	20	30		CCEDRM
C#CCOCCNS(=O)(=O)c1csc(C(=O)[O-])c1	ZINC000833366082	605418543	/nfs/dbraw/zinc/41/85/43/605418543.db2.gz	FLHKXWXTNREEIE-UHFFFAOYSA-N	-1	0	289.334	0.374	20	30		CCEDRM
N#C[C@@H]1COCCN1C(=O)CC[C@H]1CCN(C(=O)[O-])C1	ZINC000833966462	605481969	/nfs/dbraw/zinc/48/19/69/605481969.db2.gz	LCJKWASNOCPNIU-WDEREUQCSA-N	-1	0	281.312	0.517	20	30		CCEDRM
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N#C[C@@H]1CN(C(=O)[O-])C[C@H]1NC[C@H](O)c1ccccc1	ZINC000833968768	605673150	/nfs/dbraw/zinc/67/31/50/605673150.db2.gz	XUXFFJMYVWYUMJ-UPJWGTAASA-N	-1	0	275.308	0.812	20	30		CCEDRM
C[C@@H]1CN(C(=O)[C@@H](O)c2ccc(C#N)cc2)C[C@@H]1C(=O)[O-]	ZINC000833621283	605757796	/nfs/dbraw/zinc/75/77/96/605757796.db2.gz	ZJDVIJPHGDLZJC-ICCXJUOJSA-N	-1	0	288.303	0.771	20	30		CCEDRM
N#CC1(COC(=O)[C@H]2CCCN2C(=O)[O-])CCOCC1	ZINC000833964829	605782058	/nfs/dbraw/zinc/78/20/58/605782058.db2.gz	QZSLMMAOBQWMGQ-SNVBAGLBSA-N	-1	0	282.296	0.992	20	30		CCEDRM
C[C@@H](CNC(=O)[O-])CNC(=O)c1ccc(C#N)cn1	ZINC000833807510	605809693	/nfs/dbraw/zinc/80/96/93/605809693.db2.gz	UZLVIUZZXAVXBL-MRVPVSSYSA-N	-1	0	262.269	0.587	20	30		CCEDRM
N#Cc1c[nH]c(C(=O)NC[C@@H](NC(=O)[O-])C2CC2)c1	ZINC000833970625	605815502	/nfs/dbraw/zinc/81/55/02/605815502.db2.gz	WQXUSCLCIDOFKW-SNVBAGLBSA-N	-1	0	262.269	0.662	20	30		CCEDRM
O=C([O-])N[C@@H]1CCCC1N=Nc1nc2[nH][nH]cc-2c(=O)n1	ZINC000834167630	605860850	/nfs/dbraw/zinc/86/08/50/605860850.db2.gz	CZYJVJVAOUTIRG-ZCFIWIBFSA-N	-1	0	291.271	0.020	20	30		CCEDRM
O=C([O-])N1CCC(N=NC2=N[C@@H]3CCCC[C@H]3N2)CC1	ZINC000834070693	605992584	/nfs/dbraw/zinc/99/25/84/605992584.db2.gz	HKHNNFFARDRICK-GHMZBOCLSA-N	-1	0	279.344	0.976	20	30		CCEDRM
N#C[C@H]1CN(C(=O)[C@H](CC(F)F)NC(=O)[O-])CCO1	ZINC000833968888	606039859	/nfs/dbraw/zinc/03/98/59/606039859.db2.gz	YNWLKLCPHIXFAH-BQBZGAKWSA-N	-1	0	277.227	0.029	20	30		CCEDRM
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C#CCCS(=O)(=O)[N-]C(=O)COCc1cccc(C)c1	ZINC000857023334	613052824	/nfs/dbraw/zinc/05/28/24/613052824.db2.gz	RLIWRMVAJUEHFT-UHFFFAOYSA-N	-1	0	295.360	0.981	20	30		CCEDRM
C#CCCS(=O)(=O)[N-]C(=O)[C@@H](C)[C@@H](C)COC	ZINC000813095723	613052931	/nfs/dbraw/zinc/05/29/31/613052931.db2.gz	ZXZMYGQBHMPSKS-UWVGGRQHSA-N	-1	0	261.343	0.374	20	30		CCEDRM
C#CCCS(=O)(=O)[N-]C(=O)[C@H](C)[C@H](C)COC	ZINC000813095722	613053299	/nfs/dbraw/zinc/05/32/99/613053299.db2.gz	ZXZMYGQBHMPSKS-NXEZZACHSA-N	-1	0	261.343	0.374	20	30		CCEDRM
CS(C)(=O)=NS(=O)(=O)[N-]c1ccccc1C#N	ZINC000820802276	617199179	/nfs/dbraw/zinc/19/91/79/617199179.db2.gz	KZAZZCAASNEGIP-UHFFFAOYSA-N	-1	0	273.339	0.943	20	30		CCEDRM
CS/C=C/C(=O)N1CCN(C(=O)[O-])C[C@@H]1C#N	ZINC000829716183	617199625	/nfs/dbraw/zinc/19/96/25/617199625.db2.gz	DVRUNTNQQSBNFW-NCJLJLRUSA-N	-1	0	255.299	0.577	20	30		CCEDRM
C#CCCCCC(=O)[N-]S(=O)(=O)c1cn(C)nc1C	ZINC000809030743	612975726	/nfs/dbraw/zinc/97/57/26/612975726.db2.gz	IHQLAIPZCCZXFX-UHFFFAOYSA-N	-1	0	283.353	0.727	20	30		CCEDRM
CC(C)C[C@@H](NC(=O)CN(C)[C@@H](C)CC#N)C(=O)[O-]	ZINC000826788149	614194250	/nfs/dbraw/zinc/19/42/50/614194250.db2.gz	VMVIBVDITGAYRF-WDEREUQCSA-N	-1	0	269.345	0.836	20	30		CCEDRM
CC(C)C[C@@H](NC(=O)[O-])C(=O)NC1=NO[C@H](C)C1	ZINC000833479111	614194689	/nfs/dbraw/zinc/19/46/89/614194689.db2.gz	KURRBMCXWABPPI-HTQZYQBOSA-N	-1	0	257.290	0.907	20	30		CCEDRM
CC(C)(Oc1ccc(C#N)cc1)C(=O)NC[C@H](O)C(=O)[O-]	ZINC000833462556	614223840	/nfs/dbraw/zinc/22/38/40/614223840.db2.gz	DZRKOPSNEJKFQH-NSHDSACASA-N	-1	0	292.291	0.277	20	30		CCEDRM
C#CCCCCCC(=O)[N-]S(=O)(=O)c1cn(C)cn1	ZINC000838990909	612976178	/nfs/dbraw/zinc/97/61/78/612976178.db2.gz	HNSCBMFLKBBAHB-UHFFFAOYSA-N	-1	0	283.353	0.809	20	30		CCEDRM
CCC[C@H](OC)C(=O)[N-]S(=O)(=O)CC1(C#N)CCC1	ZINC000835316399	614432991	/nfs/dbraw/zinc/43/29/91/614432991.db2.gz	SRWLUWMRRQXYIH-JTQLQIEISA-N	-1	0	288.369	0.941	20	30		CCEDRM
CSC[C@H](CCO)NC(=O)[C@](C)(C#N)CC(=O)[O-]	ZINC000820906257	617254232	/nfs/dbraw/zinc/25/42/32/617254232.db2.gz	UQCYFGQQAXNULR-KWQFWETISA-N	-1	0	274.342	0.221	20	30		CCEDRM
COc1ccc(NCC(=O)NCC#N)cc1NC(=O)[O-]	ZINC000829479772	617271845	/nfs/dbraw/zinc/27/18/45/617271845.db2.gz	NNQBUVKQMRODQX-UHFFFAOYSA-N	-1	0	278.268	0.837	20	30		CCEDRM
C#CCC(C)(C)C(=O)[N-]S(=O)(=O)C[C@@H]1CCOC1	ZINC000810645299	612965870	/nfs/dbraw/zinc/96/58/70/612965870.db2.gz	VAFJMWUUVSCLLA-SNVBAGLBSA-N	-1	0	273.354	0.518	20	30		CCEDRM
C#CCCCC(=O)N1C[C@@H](OC)C[C@@]1(C)C(=O)[O-]	ZINC000910267297	612974923	/nfs/dbraw/zinc/97/49/23/612974923.db2.gz	VYERILIISDKWAR-GWCFXTLKSA-N	-1	0	253.298	0.881	20	30		CCEDRM
C#CCCCCCC(=O)N1CCNC(=O)[C@@H]1CC(=O)[O-]	ZINC000833361664	612975966	/nfs/dbraw/zinc/97/59/66/612975966.db2.gz	GLTYJOSDPHZDRU-NSHDSACASA-N	-1	0	280.324	0.372	20	30		CCEDRM
C#CCCCCNC(=O)C[C@@]1(C(=O)[O-])CCOC1	ZINC000849181841	612977518	/nfs/dbraw/zinc/97/75/18/612977518.db2.gz	WVPISWCJIARXRW-ZDUSSCGKSA-N	-1	0	253.298	0.788	20	30		CCEDRM
C#CCCCNC(=O)CO[C@@H]1CCCN(C(=O)[O-])C1	ZINC000823444599	612981203	/nfs/dbraw/zinc/98/12/03/612981203.db2.gz	NLRSBKVJDDQNOY-LLVKDONJSA-N	-1	0	268.313	0.675	20	30		CCEDRM
C#CCCCNC(=O)N[C@H](C(=O)[O-])C1CCOCC1	ZINC000909028489	612982351	/nfs/dbraw/zinc/98/23/51/612982351.db2.gz	SDUVFARCFGFZDK-NSHDSACASA-N	-1	0	268.313	0.579	20	30		CCEDRM
C#CCOCCNC(=O)NCc1ccc(C(=O)[O-])o1	ZINC000833366242	612987570	/nfs/dbraw/zinc/98/75/70/612987570.db2.gz	NDYNOCWDJWFBEM-UHFFFAOYSA-N	-1	0	266.253	0.427	20	30		CCEDRM
C#CCOCCNC(=O)[C@H]1C[C@]1(C(=O)[O-])c1ccccc1	ZINC000905117215	612988521	/nfs/dbraw/zinc/98/85/21/612988521.db2.gz	DHQRDSUDZXZNLX-CJNGLKHVSA-N	-1	0	287.315	0.795	20	30		CCEDRM
C#CCO[N-]C(=O)[C@H]1CCCN1C(=O)C(F)(F)F	ZINC000812781201	612993031	/nfs/dbraw/zinc/99/30/31/612993031.db2.gz	KXAXESAWSQZXEZ-SSDOTTSWSA-N	-1	0	264.203	0.221	20	30		CCEDRM
C#CCO[N-]C(=O)c1nn(-c2ccc(F)cc2)ccc1=O	ZINC000812782150	612993820	/nfs/dbraw/zinc/99/38/20/612993820.db2.gz	NYLZTBWFURWRGN-UHFFFAOYSA-N	-1	0	287.250	0.666	20	30		CCEDRM
C#CCO[C@@H](C)C(=O)N1CCC2(C[C@H]2C(=O)[O-])CC1	ZINC000908656815	612994248	/nfs/dbraw/zinc/99/42/48/612994248.db2.gz	ASARCUICOCLTBO-QWRGUYRKSA-N	-1	0	265.309	0.738	20	30		CCEDRM
C#CCO[C@@H](C)C(=O)NC[C@@H]1[C@H](C(=O)[O-])C1(F)F	ZINC000910484536	612996595	/nfs/dbraw/zinc/99/65/95/612996595.db2.gz	APFHUTRNLAUKIH-XLPZGREQSA-N	-1	0	261.224	0.107	20	30		CCEDRM
C#CCO[C@@H](C)C(=O)N[C@H](CCCC=C)C(=O)[O-]	ZINC000910915779	612997342	/nfs/dbraw/zinc/99/73/42/612997342.db2.gz	ASZZSHKHPIIMCL-WDEREUQCSA-N	-1	0	253.298	0.950	20	30		CCEDRM
C#CCO[C@H](C)C(=O)N1CCC2(C[C@@H]2C(=O)[O-])CC1	ZINC000908656813	612999388	/nfs/dbraw/zinc/99/93/88/612999388.db2.gz	ASARCUICOCLTBO-GHMZBOCLSA-N	-1	0	265.309	0.738	20	30		CCEDRM
C#CCO[C@H](C)C(=O)[N-]S(=O)(=O)c1ccccc1C	ZINC000835028581	613002167	/nfs/dbraw/zinc/00/21/67/613002167.db2.gz	MYAZBCGLDSFFAI-LLVKDONJSA-N	-1	0	281.333	0.838	20	30		CCEDRM
C#CCO[C@H](C)C(=O)[N-]S(=O)(=O)Cc1cccc(F)c1	ZINC000835296798	613002171	/nfs/dbraw/zinc/00/21/71/613002171.db2.gz	IAFKHOWVRQMILH-SNVBAGLBSA-N	-1	0	299.323	0.810	20	30		CCEDRM
C#CCOc1cccc(NC(=O)N[C@@H](CO)C(=O)[O-])c1	ZINC000797744887	613007522	/nfs/dbraw/zinc/00/75/22/613007522.db2.gz	YCGZZWDKPGKGSC-NSHDSACASA-N	-1	0	278.264	0.266	20	30		CCEDRM
C#CCCN1CCN(c2ncc(C(=O)[O-])c(C)n2)CC1	ZINC000910345409	613012255	/nfs/dbraw/zinc/01/22/55/613012255.db2.gz	MUFKSIKTAUXGLH-UHFFFAOYSA-N	-1	0	274.324	0.629	20	30		CCEDRM
C#CC[C@@H](NC(=O)C[C@H](C)NC(=O)C1CCCC1)C(=O)[O-]	ZINC000910054393	613040012	/nfs/dbraw/zinc/04/00/12/613040012.db2.gz	NBQMKLQKQRRPSQ-CMPLNLGQSA-N	-1	0	294.351	0.664	20	30		CCEDRM
C#CC[C@@H](NC(=O)c1cnc(NC2CC2)s1)C(=O)[O-]	ZINC000910050589	613042257	/nfs/dbraw/zinc/04/22/57/613042257.db2.gz	LOYNGINOPZHQGW-MRVPVSSYSA-N	-1	0	279.321	0.924	20	30		CCEDRM
C#CCc1c(C)[n-]n(-c2ncnc3c2cnn3C)c1=O	ZINC000899347488	613043375	/nfs/dbraw/zinc/04/33/75/613043375.db2.gz	WHQBQWJMYUJRBM-VIFPVBQESA-N	-1	0	268.280	0.725	20	30		CCEDRM
C#CCCNC(=O)N1CCO[C@@H]([C@@H](C)NC(=O)[O-])C1	ZINC000823445291	613047100	/nfs/dbraw/zinc/04/71/00/613047100.db2.gz	XKRJZKZSJALVEB-NXEZZACHSA-N	-1	0	269.301	0.076	20	30		CCEDRM
C#CCCNS(=O)(=O)c1ccc(Cl)nc1C(=O)[O-]	ZINC000833365264	613048094	/nfs/dbraw/zinc/04/80/94/613048094.db2.gz	MZYCYMYDSYRHPS-UHFFFAOYSA-N	-1	0	288.712	0.735	20	30		CCEDRM
C#CCCS(=O)(=O)[N-]C(=O)/C=C/c1ccco1	ZINC000810780552	613052529	/nfs/dbraw/zinc/05/25/29/613052529.db2.gz	HOGQGTJRXQWGGR-VOTSOKGWSA-N	-1	0	253.279	0.762	20	30		CCEDRM
C#CCCS(=O)(=O)[N-]C(=O)C(C)(C)CSC	ZINC000810782261	613052585	/nfs/dbraw/zinc/05/25/85/613052585.db2.gz	JUKYZSZUHVZQLM-UHFFFAOYSA-N	-1	0	263.384	0.845	20	30		CCEDRM
C#CCCS(=O)(=O)[N-]C(=O)[C@@H]1[C@H](C)O[C@H](C)[C@H]1C	ZINC000860722065	613053256	/nfs/dbraw/zinc/05/32/56/613053256.db2.gz	RAYNARGUTMMPQS-ZNSHCXBVSA-N	-1	0	273.354	0.515	20	30		CCEDRM
C#CCCS(=O)(=O)[N-]C(=O)[C@]12C[C@H]1COC2(C)C	ZINC000851000452	613053396	/nfs/dbraw/zinc/05/33/96/613053396.db2.gz	SZKFUMFBRDEMSN-CABZTGNLSA-N	-1	0	271.338	0.271	20	30		CCEDRM
C#CCCS(=O)(=O)[N-]C(=O)c1c(Cl)cnn1C	ZINC000851000767	613053434	/nfs/dbraw/zinc/05/34/34/613053434.db2.gz	ZHKKCIQUAWFXCQ-UHFFFAOYSA-N	-1	0	275.717	0.156	20	30		CCEDRM
C#CC[C@H](CO)NC(=O)CCc1ccc(C(=O)[O-])cc1	ZINC000911395433	613053489	/nfs/dbraw/zinc/05/34/89/613053489.db2.gz	PAWGYOVBIZPUQD-CYBMUJFWSA-N	-1	0	275.304	0.818	20	30		CCEDRM
C#CC[C@H](COC)NC(=O)c1ccc2oc(=O)nc-2[n-]1	ZINC000863805534	613065824	/nfs/dbraw/zinc/06/58/24/613065824.db2.gz	PFFBUKHXIZYKDQ-MRVPVSSYSA-N	-1	0	275.264	0.697	20	30		CCEDRM
C#CC[C@H](NC(=O)C(=O)NCCC(=O)[O-])c1ccccc1	ZINC000817111351	613067473	/nfs/dbraw/zinc/06/74/73/613067473.db2.gz	ZZLVRASKNIIIEP-LBPRGKRZSA-N	-1	0	288.303	0.458	20	30		CCEDRM
C#CC[C@H](NC(=O)CCCc1ccccn1)C(=O)[O-]	ZINC000910051772	613067568	/nfs/dbraw/zinc/06/75/68/613067568.db2.gz	GVWMXWUTISHYIQ-LBPRGKRZSA-N	-1	0	260.293	0.997	20	30		CCEDRM
C#CC[C@H](NC(=O)[C@@H]1C[C@H]1C1CCOCC1)C(=O)[O-]	ZINC000910048006	613068918	/nfs/dbraw/zinc/06/89/18/613068918.db2.gz	BQADUKJIACMGRT-TUAOUCFPSA-N	-1	0	265.309	0.642	20	30		CCEDRM
C#CC[C@H](NC(=O)[C@@]1(C)COc2ccccc2O1)C(=O)[O-]	ZINC000910048256	613069314	/nfs/dbraw/zinc/06/93/14/613069314.db2.gz	HMILHZXYQNZXLX-ZUZCIYMTSA-N	-1	0	289.287	0.809	20	30		CCEDRM
C#CC[C@H](NC(=O)[C@H](OCC)[C@H]1CCOC1)C(=O)[O-]	ZINC000910049209	613069482	/nfs/dbraw/zinc/06/94/82/613069482.db2.gz	TXNBHWNMMOVWIW-GARJFASQSA-N	-1	0	269.297	0.021	20	30		CCEDRM
C#CC[C@H](NC(=O)[C@H]1CCOC2(CCC2)C1)C(=O)[O-]	ZINC000910049004	613069493	/nfs/dbraw/zinc/06/94/93/613069493.db2.gz	QRGVWXZGCMUVHG-QWRGUYRKSA-N	-1	0	265.309	0.928	20	30		CCEDRM
C#CC[C@H](NC(=O)[C@H]1CSCCS1)C(=O)[O-]	ZINC000910051989	613069687	/nfs/dbraw/zinc/06/96/87/613069687.db2.gz	KOVXIZZHZQGUBH-JGVFFNPUSA-N	-1	0	259.352	0.428	20	30		CCEDRM
C#CC[C@H](NC(=O)[C@H]1C[C@]1(C)Br)C(=O)[O-]	ZINC000910050205	613069691	/nfs/dbraw/zinc/06/96/91/613069691.db2.gz	HAFIBMZEGWOAGW-FWWHASMVSA-N	-1	0	274.114	0.753	20	30		CCEDRM
C#CC[C@H](NC(=O)c1cn2c(n1)C[C@H](C)CC2)C(=O)[O-]	ZINC000910048601	613070374	/nfs/dbraw/zinc/07/03/74/613070374.db2.gz	NIRZCOKRYLTCKM-ZJUUUORDSA-N	-1	0	275.308	0.672	20	30		CCEDRM
C#CC[C@H](NC(=O)c1cccnc1OCC(F)F)C(=O)[O-]	ZINC000910048010	613070407	/nfs/dbraw/zinc/07/04/07/613070407.db2.gz	BQVJNZLJSFBXCA-VIFPVBQESA-N	-1	0	298.245	0.932	20	30		CCEDRM
C#CC[C@H](NC(=O)c1coc(CCC)n1)C(=O)[O-]	ZINC000910050523	613070639	/nfs/dbraw/zinc/07/06/39/613070639.db2.gz	KFMIONZFGRXWAM-QMMMGPOBSA-N	-1	0	250.254	0.833	20	30		CCEDRM
C#CC[C@H](NC(=O)c1nn(C)c2c1CCCC2)C(=O)[O-]	ZINC000910051418	613070864	/nfs/dbraw/zinc/07/08/64/613070864.db2.gz	UWCLGFYRUPWFCB-JTQLQIEISA-N	-1	0	275.308	0.505	20	30		CCEDRM
C#CC[C@H](NC(=O)c1snnc1C1CC1)C(=O)[O-]	ZINC000910050612	613070900	/nfs/dbraw/zinc/07/09/00/613070900.db2.gz	MBUCQARANVESAX-ZETCQYMHSA-N	-1	0	265.294	0.622	20	30		CCEDRM
C#CCN(C1CC1)S(=O)(=O)c1c[nH]c(C(=O)[O-])c1	ZINC000871941524	613097841	/nfs/dbraw/zinc/09/78/41/613097841.db2.gz	XGZNRAIWWNZHSR-UHFFFAOYSA-N	-1	0	268.294	0.499	20	30		CCEDRM
C#C[C@@H](NS(=O)(=O)c1cc([O-])cc(F)c1)[C@@H]1CCCO1	ZINC000867125818	613100281	/nfs/dbraw/zinc/10/02/81/613100281.db2.gz	ZHZPLJHPOXMQAR-OLZOCXBDSA-N	-1	0	299.323	0.990	20	30		CCEDRM
C#CCN(CC(=O)[O-])S(=O)(=O)Cc1ccc(C)cc1	ZINC000849219336	613103549	/nfs/dbraw/zinc/10/35/49/613103549.db2.gz	PZEQTKXFIVHXJD-UHFFFAOYSA-N	-1	0	281.333	0.845	20	30		CCEDRM
C#CCN(CC)S(=O)(=O)c1ccc(C(=O)[O-])nc1	ZINC000833364333	613107168	/nfs/dbraw/zinc/10/71/68/613107168.db2.gz	KBNQJIUESMQJNQ-UHFFFAOYSA-N	-1	0	268.294	0.424	20	30		CCEDRM
C#C[C@H](C)N(C)C(=O)[C@@H]1CC[C@H](CCC(=O)[O-])O1	ZINC000911385555	613114091	/nfs/dbraw/zinc/11/40/91/613114091.db2.gz	WVCFOQGLGKGERL-AXFHLTTASA-N	-1	0	253.298	0.879	20	30		CCEDRM
C#C[C@H](C)N(C)C(=O)c1ccc([N-]S(C)(=O)=O)nc1	ZINC000861340147	613114168	/nfs/dbraw/zinc/11/41/68/613114168.db2.gz	FGDRTMUTKYSIHP-VIFPVBQESA-N	-1	0	281.337	0.547	20	30		CCEDRM
C#C[C@H](C)NS(=O)(=O)N=[S@@](C)(=O)C(C)(C)C	ZINC000872480738	613119039	/nfs/dbraw/zinc/11/90/39/613119039.db2.gz	XKGBLGKAVSJFOE-AYVTZFPOSA-N	-1	0	266.388	0.739	20	30		CCEDRM
C#C[C@H](CC)NC(=O)Cc1cc(=O)n(CC(C)C)[n-]1	ZINC000935629983	613119593	/nfs/dbraw/zinc/11/95/93/613119593.db2.gz	BIDFDSZCOKBDRP-LLVKDONJSA-N	-1	0	263.341	0.903	20	30		CCEDRM
C#C[C@H](NC(=O)NC[C@H](C)C(=O)[O-])[C@H]1CCCO1	ZINC000848583303	613140947	/nfs/dbraw/zinc/14/09/47/613140947.db2.gz	WTNRFOBDVPKVKS-LPEHRKFASA-N	-1	0	254.286	0.187	20	30		CCEDRM
C#C[C@H](NC(=O)[C@@H](C(=O)[O-])C(C)C)[C@H]1CCCO1	ZINC000911579187	613145411	/nfs/dbraw/zinc/14/54/11/613145411.db2.gz	NYBSLTNATGKALA-AXFHLTTASA-N	-1	0	253.298	0.640	20	30		CCEDRM
C#C[C@H](NC(=O)[C@H](C(=O)[O-])C(C)C)[C@@H]1CCCO1	ZINC000911579189	613146718	/nfs/dbraw/zinc/14/67/18/613146718.db2.gz	NYBSLTNATGKALA-GARJFASQSA-N	-1	0	253.298	0.640	20	30		CCEDRM
C#C[C@H](NC(=O)[C@H]1C[C@@H](C)[C@H](C(=O)[O-])O1)C1CCOCC1	ZINC000911787628	613148107	/nfs/dbraw/zinc/14/81/07/613148107.db2.gz	AHCLEOREQIHFRY-GWNIPJSYSA-N	-1	0	295.335	0.409	20	30		CCEDRM
C#C[C@H](NC(=O)c1cc(C(=O)[O-])nn1C)[C@@H]1CCCO1	ZINC000911581544	613148391	/nfs/dbraw/zinc/14/83/91/613148391.db2.gz	YXRQGHYATAFLRC-KWQFWETISA-N	-1	0	277.280	0.029	20	30		CCEDRM
C#Cc1ccc(NC(=O)N2CCOC[C@H]2C(=O)[O-])cc1	ZINC000900355415	613195330	/nfs/dbraw/zinc/19/53/30/613195330.db2.gz	MMBCWTOJRLJLMS-LBPRGKRZSA-N	-1	0	274.276	0.985	20	30		CCEDRM
C#Cc1cccc(CNC(=O)[C@H]2CC[C@H](C(=O)[O-])O2)c1	ZINC000840729795	613201153	/nfs/dbraw/zinc/20/11/53/613201153.db2.gz	DGEORHCLFIYOLU-CHWSQXEVSA-N	-1	0	273.288	0.916	20	30		CCEDRM
C#Cc1cccc(NC(=O)C(=O)N[C@H]2C[C@H](C(=O)[O-])C2)c1	ZINC000873086312	613203124	/nfs/dbraw/zinc/20/31/24/613203124.db2.gz	XOSZSHMVDYQLIH-UMSPYCQHSA-N	-1	0	286.287	0.586	20	30		CCEDRM
C#Cc1ccccc1CC(=O)[N-]S(=O)(=O)CC	ZINC000810579920	613206867	/nfs/dbraw/zinc/20/68/67/613206867.db2.gz	GHDMAAMMKUOCPO-UHFFFAOYSA-N	-1	0	251.307	0.676	20	30		CCEDRM
C#Cc1ccccc1CC(=O)[N-]S(=O)(=O)N(C)C(C)C	ZINC000810573358	613206944	/nfs/dbraw/zinc/20/69/44/613206944.db2.gz	QUWNNPKCBAEQPU-UHFFFAOYSA-N	-1	0	294.376	0.912	20	30		CCEDRM
C#CCN1CC[C@@H](C)[C@H](NC(=O)c2[nH]nc(C)c2[O-])C1	ZINC000965911437	613221256	/nfs/dbraw/zinc/22/12/56/613221256.db2.gz	SUMLVEWFNGNDIQ-MWLCHTKSSA-N	-1	0	276.340	0.497	20	30		CCEDRM
C=C(C)CN(C)Cn1nc(C(=O)[O-])cc1C(=O)OC	ZINC000833368906	613282718	/nfs/dbraw/zinc/28/27/18/613282718.db2.gz	XGCBDBUTKDOTCT-UHFFFAOYSA-N	-1	0	267.285	0.833	20	30		CCEDRM
C=C(C)CN(CC)C(=O)CN[C@@]1(C(=O)[O-])CCOC1	ZINC000833369288	613293444	/nfs/dbraw/zinc/29/34/44/613293444.db2.gz	PEMMLOCCLSJYRP-ZDUSSCGKSA-N	-1	0	270.329	0.244	20	30		CCEDRM
C#CCNC(=O)CN1C[C@H](CC(=O)[O-])c2ccccc21	ZINC000148090665	613330573	/nfs/dbraw/zinc/33/05/73/613330573.db2.gz	SFARIMOCDHUAME-NSHDSACASA-N	-1	0	272.304	0.814	20	30		CCEDRM
C#CCNC(=O)COC(=O)c1ccc(NC(=O)[O-])c(C)c1	ZINC000823455956	613333073	/nfs/dbraw/zinc/33/30/73/613333073.db2.gz	IENHUWIEBXHQBO-UHFFFAOYSA-N	-1	0	290.275	0.991	20	30		CCEDRM
C=C(C)CNC(=S)N1CCO[C@@H](CC(=O)[O-])C1	ZINC000825642194	613346671	/nfs/dbraw/zinc/34/66/71/613346671.db2.gz	KBEBAPPAAFOUDB-VIFPVBQESA-N	-1	0	258.343	0.613	20	30		CCEDRM
C=C(C)CO[N-]C(=O)C(=O)Nc1c(C)cnn1CC	ZINC000850477138	613352403	/nfs/dbraw/zinc/35/24/03/613352403.db2.gz	SQUJDOQRHOUDAB-UHFFFAOYSA-N	-1	0	266.301	0.774	20	30		CCEDRM
C=C(C)CO[N-]C(=O)[C@@H](c1cncn1C)N(C)C	ZINC000846534161	613353863	/nfs/dbraw/zinc/35/38/63/613353863.db2.gz	UYCDNHYWXZBRCM-LLVKDONJSA-N	-1	0	252.318	0.647	20	30		CCEDRM
C=C(C)CS(=O)(=O)N1C[C@@H](F)C[C@H]1C(=O)[O-]	ZINC000902997778	613354105	/nfs/dbraw/zinc/35/41/05/613354105.db2.gz	ZQSVWHRNLIKJQA-YUMQZZPRSA-N	-1	0	251.279	0.389	20	30		CCEDRM
C=C(C)C[C@@H](C)C(=O)[N-]S(=O)(=O)Cc1cnn(C)c1	ZINC000847848720	613354342	/nfs/dbraw/zinc/35/43/42/613354342.db2.gz	LSEILSDLQCTECO-SNVBAGLBSA-N	-1	0	285.369	0.968	20	30		CCEDRM
C=C(C)C[C@@H](NC(=O)[C@@H](O)C1CCOCC1)C(=O)[O-]	ZINC000910292895	613356014	/nfs/dbraw/zinc/35/60/14/613356014.db2.gz	SGFNEVLEFSPWQT-MNOVXSKESA-N	-1	0	271.313	0.310	20	30		CCEDRM
C=C(C)C[C@H](NC(=O)c1cnn(CCOC)c1C)C(=O)[O-]	ZINC000910294596	613359127	/nfs/dbraw/zinc/35/91/27/613359127.db2.gz	QMKFDKQCWBCFNL-LBPRGKRZSA-N	-1	0	295.339	0.987	20	30		CCEDRM
C=C(C)C[C@H](NS(=O)(=O)c1ccc(C)nn1)C(=O)OC	ZINC000867623507	613359884	/nfs/dbraw/zinc/35/98/84/613359884.db2.gz	GUFRKGJARVXNOM-JTQLQIEISA-N	-1	0	299.352	0.571	20	30		CCEDRM
C=C(C)C[C@H](NS(=O)(=O)[C@H]1CCOC1)C(=O)OCC	ZINC000882644970	613360005	/nfs/dbraw/zinc/36/00/05/613360005.db2.gz	UBDYREHCQJNDDV-QWRGUYRKSA-N	-1	0	291.369	0.593	20	30		CCEDRM
C=C(C)[C@@H](CC(=O)NCCCc1c[nH][nH]c1=O)OCC	ZINC000898736232	613360206	/nfs/dbraw/zinc/36/02/06/613360206.db2.gz	BXSLSOBXNKRGHR-NWDGAFQWSA-N	-1	0	281.356	0.986	20	30		CCEDRM
C=C(Cl)CNC(=O)N1CCO[C@@H]([C@@H](C)NC(=O)[O-])C1	ZINC000823486054	613383628	/nfs/dbraw/zinc/38/36/28/613383628.db2.gz	MYYUMQGABDEDKS-RKDXNWHRSA-N	-1	0	291.735	0.805	20	30		CCEDRM
C=C(Cl)C[C@@H](NC(=O)CNC(=O)C1CC1)C(=O)[O-]	ZINC000864185094	613388520	/nfs/dbraw/zinc/38/85/20/613388520.db2.gz	SQCCCGPERUSSHB-MRVPVSSYSA-N	-1	0	274.704	0.225	20	30		CCEDRM
C=C(Cl)C[C@@H](NC(=O)[C@H](C)S(C)(=O)=O)C(=O)[O-]	ZINC000864184254	613388584	/nfs/dbraw/zinc/38/85/84/613388584.db2.gz	LQCYHLIFSQTPCV-NKWVEPMBSA-N	-1	0	283.733	0.132	20	30		CCEDRM
C=C(Cl)C[C@H](NC(=O)Cn1ccc(C)cc1=O)C(=O)[O-]	ZINC000864189838	613390651	/nfs/dbraw/zinc/39/06/51/613390651.db2.gz	VJWBRMRKEHXJID-JTQLQIEISA-N	-1	0	298.726	0.869	20	30		CCEDRM
C=CCS(=O)(=O)[N-]C(=O)c1ncc(C#N)cc1C	ZINC000815997391	613394635	/nfs/dbraw/zinc/39/46/35/613394635.db2.gz	KSYBDIWEXXJWQD-UHFFFAOYSA-N	-1	0	265.294	0.507	20	30		CCEDRM
C=CCSCCNC(=O)[C@H]1C[C@H](O)CN1C(=O)[O-]	ZINC000823516566	613395863	/nfs/dbraw/zinc/39/58/63/613395863.db2.gz	OUOCYUOZWJEWIE-DTWKUNHWSA-N	-1	0	274.342	0.135	20	30		CCEDRM
C=CC[C@@H](CO)CNC(=O)c1csc(C(=O)[O-])n1	ZINC000911650795	613403173	/nfs/dbraw/zinc/40/31/73/613403173.db2.gz	HPBBCNQEOVZUEL-SSDOTTSWSA-N	-1	0	270.310	0.756	20	30		CCEDRM
C=CC[C@@H](CO)CNC(=S)NCCCC(=O)[O-]	ZINC000833369822	613403204	/nfs/dbraw/zinc/40/32/04/613403204.db2.gz	FVQVUXNVCQZFDU-SECBINFHSA-N	-1	0	260.359	0.500	20	30		CCEDRM
C=CC[C@H](CO)CNC(=O)c1ccc(C(=O)[O-])cn1	ZINC000833369770	613415608	/nfs/dbraw/zinc/41/56/08/613415608.db2.gz	DWZWIBUXQNRRRU-VIFPVBQESA-N	-1	0	264.281	0.694	20	30		CCEDRM
C=CCn1cc(C(=O)N[C@@]2(CC(=O)[O-])CCCOC2)nn1	ZINC000844155675	613430722	/nfs/dbraw/zinc/43/07/22/613430722.db2.gz	UGWNFMPJPGPGHN-CYBMUJFWSA-N	-1	0	294.311	0.218	20	30		CCEDRM
C=CCn1cc(C([O-])=C(C#N)C(=O)NC2CCCC2)nn1	ZINC000842689372	613433938	/nfs/dbraw/zinc/43/39/38/613433938.db2.gz	DIVKXEXKHJWJRZ-LLVKDONJSA-N	-1	0	287.323	0.845	20	30		CCEDRM
C=C[C@@H](C(=O)OC)n1cc(C[N-]C(=O)C(F)(F)F)nn1	ZINC000881320142	613441761	/nfs/dbraw/zinc/44/17/61/613441761.db2.gz	FXKGHCYNKLPUPQ-ZETCQYMHSA-N	-1	0	292.217	0.357	20	30		CCEDRM
C=C[C@@H](C)O[N-]C(=O)[C@](C)(O)Cn1ccc(C)cc1=O	ZINC000846555696	613447100	/nfs/dbraw/zinc/44/71/00/613447100.db2.gz	UTUSIAPIEIXDKH-BXUZGUMPSA-N	-1	0	280.324	0.530	20	30		CCEDRM
C=C[C@@H](C)O[N-]C(=O)[C@H](C)N1C(=O)NC2(CCCC2)C1=O	ZINC000846549172	613447280	/nfs/dbraw/zinc/44/72/80/613447280.db2.gz	IGSHWZYLISPVFL-ZJUUUORDSA-N	-1	0	295.339	0.862	20	30		CCEDRM
C=C[C@@H](C)O[N-]C(=O)[C@H]1CSCN1C(=O)CC	ZINC000846544345	613447293	/nfs/dbraw/zinc/44/72/93/613447293.db2.gz	GJMMOCQEUBXMOR-RKDXNWHRSA-N	-1	0	258.343	0.920	20	30		CCEDRM
C=C[C@@H](O)C(=O)N1CC[C@](C(=O)[O-])(C(F)(F)F)C1	ZINC000909764628	613450770	/nfs/dbraw/zinc/45/07/70/613450770.db2.gz	YTZKLPIXBZVQNF-MUWHJKNJSA-N	-1	0	267.203	0.399	20	30		CCEDRM
C=C[C@@H](O)C(=O)N1CCc2cc(C(=O)[O-])ccc2C1	ZINC000910504484	613450793	/nfs/dbraw/zinc/45/07/93/613450793.db2.gz	WIHLLGUGUVSSRG-GFCCVEGCSA-N	-1	0	261.277	0.816	20	30		CCEDRM
C=C[C@@H](O)C(=O)N1CCc2occc2[C@H]1C(=O)[O-]	ZINC000910203748	613451101	/nfs/dbraw/zinc/45/11/01/613451101.db2.gz	AAESCQNKRGBWID-SCZZXKLOSA-N	-1	0	251.238	0.337	20	30		CCEDRM
C=CC1(S(=O)(=O)[N-]C(=O)[C@@H](OC)c2cnn(C)c2)CC1	ZINC000870836671	613451178	/nfs/dbraw/zinc/45/11/78/613451178.db2.gz	LDIUYEFWUPLALC-JTQLQIEISA-N	-1	0	299.352	0.272	20	30		CCEDRM
C=CC1(S(=O)(=O)[N-]C(=O)[C@@]2(C)CCOC2)CC1	ZINC000870835718	613451640	/nfs/dbraw/zinc/45/16/40/613451640.db2.gz	JUMCOHBJUBEPND-JTQLQIEISA-N	-1	0	259.327	0.578	20	30		CCEDRM
C=CC1(S(=O)(=O)[N-]C(=O)[C@]2(CC)CCNC2=O)CC1	ZINC000870840400	613451978	/nfs/dbraw/zinc/45/19/78/613451978.db2.gz	PWCZSBHUPPEDQT-GFCCVEGCSA-N	-1	0	286.353	0.067	20	30		CCEDRM
C=C[C@@H](O)C(=O)N[C@@H](CC1(OC)CCC1)C(=O)[O-]	ZINC000909895803	613452639	/nfs/dbraw/zinc/45/26/39/613452639.db2.gz	RZCRLKYRJMHKNU-DTWKUNHWSA-N	-1	0	257.286	0.062	20	30		CCEDRM
C=C[C@@H](O)C(=O)N[C@H](CC(=O)[O-])c1cccc(OC)c1	ZINC000908852882	613452654	/nfs/dbraw/zinc/45/26/54/613452654.db2.gz	DHMFRIYPLUWSKG-VXGBXAGGSA-N	-1	0	279.292	0.874	20	30		CCEDRM
C=CCC(CC=C)C(=O)[N-]S(=O)(=O)CC(=O)OCC	ZINC000838846893	613453579	/nfs/dbraw/zinc/45/35/79/613453579.db2.gz	GVKVWZIHUQYHMJ-UHFFFAOYSA-N	-1	0	289.353	0.764	20	30		CCEDRM
C=CCC(F)(F)C(=O)[N-]S(=O)(=O)[C@@H](C)C(=O)OC	ZINC000816015427	613455019	/nfs/dbraw/zinc/45/50/19/613455019.db2.gz	JNCKTAIGAJUMIW-LURJTMIESA-N	-1	0	285.268	0.205	20	30		CCEDRM
C=CCC1(O)CCN(C(=O)NCC(=O)[N-]OCC)CC1	ZINC000884448314	613457926	/nfs/dbraw/zinc/45/79/26/613457926.db2.gz	XENKCSRIJLYBCD-UHFFFAOYSA-N	-1	0	285.344	0.167	20	30		CCEDRM
C=CCC1(S(=O)(=O)[N-]C(=O)COC(F)F)CC1	ZINC000810985278	613460844	/nfs/dbraw/zinc/46/08/44/613460844.db2.gz	GJPGEFXJPYFBOD-UHFFFAOYSA-N	-1	0	269.269	0.780	20	30		CCEDRM
C=CCC1(S(=O)(=O)[N-]C(=O)c2nn(C)cc2C)CC1	ZINC000842362528	613461307	/nfs/dbraw/zinc/46/13/07/613461307.db2.gz	VCMJISLVOGNELJ-UHFFFAOYSA-N	-1	0	283.353	0.897	20	30		CCEDRM
C=CCC1(S(=O)(=O)[N-]C(=O)c2ncccn2)CC1	ZINC000893034747	613461430	/nfs/dbraw/zinc/46/14/30/613461430.db2.gz	SNKOTJQGKRNDKZ-UHFFFAOYSA-N	-1	0	267.310	0.645	20	30		CCEDRM
C=CCCC(=O)OCCc1cn(CC(=O)[O-])nn1	ZINC000825664851	613462807	/nfs/dbraw/zinc/46/28/07/613462807.db2.gz	NYCORPVPWMEMQH-UHFFFAOYSA-N	-1	0	253.258	0.415	20	30		CCEDRM
C=CCCCCNC(=O)C(=O)NC[C@@H](CC)C(=O)[O-]	ZINC000927957221	613465872	/nfs/dbraw/zinc/46/58/72/613465872.db2.gz	VZIHQRWETNFSSP-SNVBAGLBSA-N	-1	0	270.329	0.686	20	30		CCEDRM
C=CCCCS(=O)(=O)N[C@H]1C[C@@H](C(=O)[O-])[C@@H]2C[C@@H]21	ZINC000926605391	613469751	/nfs/dbraw/zinc/46/97/51/613469751.db2.gz	VCUGMJHYTSGPLB-YTWAJWBKSA-N	-1	0	273.354	0.981	20	30		CCEDRM
C=CCCCS(=O)(=O)N[C@@H](C[C@H]1CCCO1)C(=O)[O-]	ZINC000903030639	613469776	/nfs/dbraw/zinc/46/97/76/613469776.db2.gz	SLGKGIHCBYMTBE-MNOVXSKESA-N	-1	0	291.369	0.894	20	30		CCEDRM
C=CCCC[C@@H](NC(=O)CCn1ccnn1)C(=O)[O-]	ZINC000910916603	613470459	/nfs/dbraw/zinc/47/04/59/613470459.db2.gz	ZMEXJNLFWUKJKG-SNVBAGLBSA-N	-1	0	266.301	0.594	20	30		CCEDRM
C=CCCC[C@H](N)C(=O)[N-]S(=O)(=O)C1(C=C)CC1	ZINC000901058638	613472997	/nfs/dbraw/zinc/47/29/97/613472997.db2.gz	GKCWTYHKXCDWKK-JTQLQIEISA-N	-1	0	272.370	0.835	20	30		CCEDRM
C=CCCC[C@H](NC(=O)[C@@H]1COCCO1)C(=O)[O-]	ZINC000910915166	613473704	/nfs/dbraw/zinc/47/37/04/613473704.db2.gz	VYLIHAXFURPQIT-UWVGGRQHSA-N	-1	0	257.286	0.328	20	30		CCEDRM
C=CCCC[C@H](NC(=O)[C@@H](O)C1CCOCC1)C(=O)[O-]	ZINC000910915827	613473992	/nfs/dbraw/zinc/47/39/92/613473992.db2.gz	BNUGEFHFMDIJNV-RYUDHWBXSA-N	-1	0	285.340	0.700	20	30		CCEDRM
C=CCCC[C@H](NS(=O)(=O)C[C@@H]1CCOC1)C(=O)[O-]	ZINC000903058316	613474747	/nfs/dbraw/zinc/47/47/47/613474747.db2.gz	FVLGOQPBWXMBOK-MNOVXSKESA-N	-1	0	291.369	0.752	20	30		CCEDRM
C=CCCC[C@H](NS(=O)(=O)N1CC[C@@H](C)C1)C(=O)[O-]	ZINC000903059922	613474865	/nfs/dbraw/zinc/47/48/65/613474865.db2.gz	XOAITEHDESTWCC-MNOVXSKESA-N	-1	0	290.385	0.972	20	30		CCEDRM
C=C[C@H](C)O[N-]C(=O)Cn1cc([N+](=O)[O-])nc1C	ZINC000846551080	613484641	/nfs/dbraw/zinc/48/46/41/613484641.db2.gz	QVFDXXXCCGRPCO-ZETCQYMHSA-N	-1	0	254.246	0.722	20	30		CCEDRM
C=C[C@H](C)O[N-]C(=O)Cn1ccc(C(=O)OC)n1	ZINC000880549083	613484663	/nfs/dbraw/zinc/48/46/63/613484663.db2.gz	MRDJUCJENGIVHJ-QMMMGPOBSA-N	-1	0	253.258	0.292	20	30		CCEDRM
C=C[C@H](C)O[N-]C(=O)[C@@H](CCC)S(N)(=O)=O	ZINC000855026418	613488167	/nfs/dbraw/zinc/48/81/67/613488167.db2.gz	DTAVPVGOBGVURA-JGVFFNPUSA-N	-1	0	250.320	0.066	20	30		CCEDRM
C=C[C@H](CC)CC(=O)N[C@H](C)C(=O)N[C@H](C)C(=O)[O-]	ZINC000907771932	613490057	/nfs/dbraw/zinc/49/00/57/613490057.db2.gz	NDOKSJPTQWSKTE-OPRDCNLKSA-N	-1	0	270.329	0.683	20	30		CCEDRM
C=C[C@H](O)C(=O)N(C)Cc1ccc(OCC(=O)[O-])cc1	ZINC000909508628	613493401	/nfs/dbraw/zinc/49/34/01/613493401.db2.gz	FRUVXOOKYQDMAD-LBPRGKRZSA-N	-1	0	279.292	0.655	20	30		CCEDRM
C=C[C@H](O)C(=O)N1CCOc2c(cccc2C(=O)[O-])C1	ZINC000911028123	613494570	/nfs/dbraw/zinc/49/45/70/613494570.db2.gz	JXDLASFQDMMRDD-NSHDSACASA-N	-1	0	277.276	0.653	20	30		CCEDRM
C=C[C@H](O)C(=O)N[C@@H](CC(=O)[O-])c1cccc(OC)c1	ZINC000908852881	613496916	/nfs/dbraw/zinc/49/69/16/613496916.db2.gz	DHMFRIYPLUWSKG-RYUDHWBXSA-N	-1	0	279.292	0.874	20	30		CCEDRM
C=C[C@](C)(CCOC)C(=O)N1C[C@@H](C)O[C@H](C(=O)[O-])C1	ZINC000910227769	613505580	/nfs/dbraw/zinc/50/55/80/613505580.db2.gz	NINQFYDFQYOYTC-UHIISALHSA-N	-1	0	285.340	0.916	20	30		CCEDRM
C=C[C@](C)(O)C(=O)N1CC2(CCC2)[C@@](F)(C(=O)[O-])C1	ZINC000909937051	613506201	/nfs/dbraw/zinc/50/62/01/613506201.db2.gz	AIPWPVIXOUKTAA-AAEUAGOBSA-N	-1	0	271.288	0.729	20	30		CCEDRM
CC#CCCCC(=O)[N-]S(=O)(=O)Cc1cnn(C)c1	ZINC000847849084	613520550	/nfs/dbraw/zinc/52/05/50/613520550.db2.gz	RLHACCGHUHETFS-UHFFFAOYSA-N	-1	0	283.353	0.560	20	30		CCEDRM
C=CCCO[N-]C(=O)C1(n2cnnn2)CCCCC1	ZINC000856027343	613576188	/nfs/dbraw/zinc/57/61/88/613576188.db2.gz	IWKWXEAHJUTHFO-UHFFFAOYSA-N	-1	0	265.317	0.956	20	30		CCEDRM
C=CCCO[N-]C(=O)CN(C)c1ncnc2nc[nH]c21	ZINC000856030719	613576538	/nfs/dbraw/zinc/57/65/38/613576538.db2.gz	NSYRZWVMSBTRJG-UHFFFAOYSA-N	-1	0	276.300	0.413	20	30		CCEDRM
C=CCCO[N-]C(=O)[C@@H]1CCCCN1S(C)(=O)=O	ZINC000856029132	613577075	/nfs/dbraw/zinc/57/70/75/613577075.db2.gz	ASDYPIQMRVZXOT-JTQLQIEISA-N	-1	0	276.358	0.424	20	30		CCEDRM
C=CCCO[N-]C(=O)[C@H](c1cncn1C)N(C)C	ZINC000856034620	613577222	/nfs/dbraw/zinc/57/72/22/613577222.db2.gz	JEGBNDLYSFGBFO-NSHDSACASA-N	-1	0	252.318	0.647	20	30		CCEDRM
C=CCCO[N-]C(=O)[C@H]1COCCN1CC(F)F	ZINC000856034019	613577300	/nfs/dbraw/zinc/57/73/00/613577300.db2.gz	ZQFTXHMBSGOWSX-SECBINFHSA-N	-1	0	264.272	0.576	20	30		CCEDRM
C=CCCONC(=O)c1ccc([N-]S(C)(=O)=O)nc1	ZINC000862217676	613577830	/nfs/dbraw/zinc/57/78/30/613577830.db2.gz	NRRPMSWRWOBMAR-UHFFFAOYSA-N	-1	0	285.325	0.691	20	30		CCEDRM
C=CCCO[C@H](C)C(=O)N[C@@H](CSC)C(=O)[O-]	ZINC000910880603	613579443	/nfs/dbraw/zinc/57/94/43/613579443.db2.gz	FWUXTBSVRMLOIX-BDAKNGLRSA-N	-1	0	261.343	0.900	20	30		CCEDRM
C=CCCO[C@H](C)C(=O)[N-]S(=O)(=O)N(C)CCC	ZINC000153801510	613579550	/nfs/dbraw/zinc/57/95/50/613579550.db2.gz	OPHPIMCOYOMKGL-SNVBAGLBSA-N	-1	0	278.374	0.670	20	30		CCEDRM
C=CCCS(=O)(=O)N[C@H]1CCOC[C@@H]1CC(=O)[O-]	ZINC000899950427	613582135	/nfs/dbraw/zinc/58/21/35/613582135.db2.gz	PCXUOCRSPXFVSY-UWVGGRQHSA-N	-1	0	277.342	0.362	20	30		CCEDRM
C=CCC[C@@H](NC(=O)CCc1cncn1C)C(=O)[O-]	ZINC000909714659	613584463	/nfs/dbraw/zinc/58/44/63/613584463.db2.gz	ZDPWTMTXXAJGCY-LLVKDONJSA-N	-1	0	265.313	0.888	20	30		CCEDRM
C=CCC[C@H](NC(=O)NCCO[C@@H]1CCOC1)C(=O)[O-]	ZINC000929017491	613589965	/nfs/dbraw/zinc/58/99/65/613589965.db2.gz	UZXDQBVHNCTMMB-MNOVXSKESA-N	-1	0	286.328	0.511	20	30		CCEDRM
C=CCN(C(=O)C(=O)N1CCC[C@@H](C(=O)[O-])C1)C(C)C	ZINC000817892468	613601770	/nfs/dbraw/zinc/60/17/70/613601770.db2.gz	AEWMFMQCCWOFPZ-LLVKDONJSA-N	-1	0	282.340	0.733	20	30		CCEDRM
C=CCN(CC(=O)[O-])C(=O)COCc1ccnc(OC)c1	ZINC000909517065	613641786	/nfs/dbraw/zinc/64/17/86/613641786.db2.gz	ZGBRQEHHUDNNAD-UHFFFAOYSA-N	-1	0	294.307	0.706	20	30		CCEDRM
C=CCN(CC(=O)NCC(=O)[O-])Cc1cccc(C#N)c1	ZINC000819713596	613641865	/nfs/dbraw/zinc/64/18/65/613641865.db2.gz	VMZNGUURCRNLMB-UHFFFAOYSA-N	-1	0	287.319	0.747	20	30		CCEDRM
C=CCN(CC(=O)[O-])C(=O)NCCO[C@H]1CCOC1	ZINC000929017306	613642758	/nfs/dbraw/zinc/64/27/58/613642758.db2.gz	PKIVCGVNOUIWCQ-JTQLQIEISA-N	-1	0	272.301	0.074	20	30		CCEDRM
C=CCN(CC(=O)[O-])C(=O)[C@@H]1CCc2c[nH]nc2C1	ZINC000909514174	613643036	/nfs/dbraw/zinc/64/30/36/613643036.db2.gz	CCKWXTCOEMHEOR-SECBINFHSA-N	-1	0	263.297	0.614	20	30		CCEDRM
CC#CCS(=O)(=O)[N-]C(=O)COCc1ccccc1C	ZINC000857022743	613645858	/nfs/dbraw/zinc/64/58/58/613645858.db2.gz	GUQNLFMOOUZBJU-UHFFFAOYSA-N	-1	0	295.360	0.981	20	30		CCEDRM
CC#CCS(=O)(=O)[N-]C(=O)CCCOCCOCC	ZINC000851000503	613645953	/nfs/dbraw/zinc/64/59/53/613645953.db2.gz	VAHWEDHKPSFTOX-UHFFFAOYSA-N	-1	0	291.369	0.289	20	30		CCEDRM
CC#CCS(=O)(=O)[N-]C(=O)Cc1ccsc1	ZINC000810773423	613646151	/nfs/dbraw/zinc/64/61/51/613646151.db2.gz	DMGRIICBYONBSQ-UHFFFAOYSA-N	-1	0	257.336	0.760	20	30		CCEDRM
CC#CCS(=O)(=O)[N-]C(=O)[C@@H](C)Oc1ccccc1	ZINC000810779052	613646311	/nfs/dbraw/zinc/64/63/11/613646311.db2.gz	WLNVJZQSPXQNQR-LLVKDONJSA-N	-1	0	281.333	0.923	20	30		CCEDRM
CC#CCS(=O)(=O)[N-]C(=O)[C@@](C)(OC)C1CC1	ZINC000813095583	613646534	/nfs/dbraw/zinc/64/65/34/613646534.db2.gz	XBZMQVMZOQPHHG-NSHDSACASA-N	-1	0	259.327	0.271	20	30		CCEDRM
CC#CCS(=O)(=O)[N-]C(=O)[C@H]1CCc2ncncc2C1	ZINC000842779703	613646923	/nfs/dbraw/zinc/64/69/23/613646923.db2.gz	HDNUNPISRNFMNK-JTQLQIEISA-N	-1	0	293.348	0.051	20	30		CCEDRM
CC#CCS(=O)(=O)[N-]C(=O)[C@H]1CCOC[C@H]1C	ZINC000810773928	613646970	/nfs/dbraw/zinc/64/69/70/613646970.db2.gz	PLHQAAHEORMWFO-ZJUUUORDSA-N	-1	0	259.327	0.128	20	30		CCEDRM
CC#CCS(=O)(=O)[N-]C(=O)c1cc(COC)cs1	ZINC000851000135	613647605	/nfs/dbraw/zinc/64/76/05/613647605.db2.gz	PNBXKUWUNFCCPB-UHFFFAOYSA-N	-1	0	287.362	0.977	20	30		CCEDRM
CC#CCS(=O)(=O)[N-]C(=O)c1ccc(OC)nc1	ZINC000810779079	613647617	/nfs/dbraw/zinc/64/76/17/613647617.db2.gz	XQAIHIVYCLQHSI-UHFFFAOYSA-N	-1	0	268.294	0.173	20	30		CCEDRM
CC#CCS(=O)(=O)[N-]C(=O)c1nc(C)n2ccccc12	ZINC000810774188	613647997	/nfs/dbraw/zinc/64/79/97/613647997.db2.gz	UKYDNVMGIZXLEJ-UHFFFAOYSA-N	-1	0	291.332	0.726	20	30		CCEDRM
CC#CCS(=O)(=O)[N-]C(=O)c1nc2c(s1)CCC2	ZINC000842344918	613648040	/nfs/dbraw/zinc/64/80/40/613648040.db2.gz	AKHVNKCABGQOHK-UHFFFAOYSA-N	-1	0	284.362	0.715	20	30		CCEDRM
C=CCNC(=O)C(=O)Nc1cccc(F)c1C(=O)[O-]	ZINC000833377002	613845125	/nfs/dbraw/zinc/84/51/25/613845125.db2.gz	JKVZZTCTYABQPY-UHFFFAOYSA-N	-1	0	266.228	0.765	20	30		CCEDRM
C=CCNC(=O)COC(=O)Cc1cccc(C(=O)[O-])c1	ZINC000833376896	613847730	/nfs/dbraw/zinc/84/77/30/613847730.db2.gz	VAIZQGJJBRDMOO-UHFFFAOYSA-N	-1	0	277.276	0.773	20	30		CCEDRM
C=CCNC(=O)NC(=O)[C@H](C)OC(=O)[C@@H](C)CC(=O)[O-]	ZINC000825687762	613852247	/nfs/dbraw/zinc/85/22/47/613852247.db2.gz	VIYHJHDEQHZZLF-YUMQZZPRSA-N	-1	0	286.284	0.041	20	30		CCEDRM
C=CCNC(=O)[C@@H](C#N)C(=O)CC1(NC(=O)[O-])CCC1	ZINC000823506644	613852673	/nfs/dbraw/zinc/85/26/73/613852673.db2.gz	JNYCHTVNLULFDX-VIFPVBQESA-N	-1	0	279.296	0.578	20	30		CCEDRM
C=CCNC(=O)C(C#N)=C([O-])c1c2c(nn1C)CCCC2	ZINC000892490471	613855045	/nfs/dbraw/zinc/85/50/45/613855045.db2.gz	UGDJNWGWOVSIRB-LLVKDONJSA-N	-1	0	286.335	0.924	20	30		CCEDRM
C=CCNC(=O)[C@H](C)OC(=O)c1ccc(CNC(=O)[O-])o1	ZINC000823506938	613855831	/nfs/dbraw/zinc/85/58/31/613855831.db2.gz	PJLBOHBHNAYJMS-QMMMGPOBSA-N	-1	0	296.279	0.895	20	30		CCEDRM
C=CCOCC(=O)[N-]S(=O)(=O)c1nc(Cl)cs1	ZINC000835762780	613879355	/nfs/dbraw/zinc/87/93/55/613879355.db2.gz	DHBZSROKVYPADU-UHFFFAOYSA-N	-1	0	296.757	0.804	20	30		CCEDRM
C=CCOCC(=O)[N-]S(=O)(=O)CC[C@H]1CCCO1	ZINC000893713979	613879420	/nfs/dbraw/zinc/87/94/20/613879420.db2.gz	YGOAOLKDVKVUPG-SNVBAGLBSA-N	-1	0	277.342	0.204	20	30		CCEDRM
C=CCOCC(=O)N[C@@]1(C(=O)[O-])C[C@H](OCC)C1(C)C	ZINC000909604622	613879507	/nfs/dbraw/zinc/87/95/07/613879507.db2.gz	YOFDFXCCTDWACC-IINYFYTJSA-N	-1	0	285.340	0.964	20	30		CCEDRM
C=CCOCCCNC(=O)[C@@H]1CO[C@H](CCC(=O)[O-])C1	ZINC000902070445	613880289	/nfs/dbraw/zinc/88/02/89/613880289.db2.gz	VOPDGSKPHPKLLD-NWDGAFQWSA-N	-1	0	285.340	0.965	20	30		CCEDRM
C=CCOC[C@@H](NC(=O)C1(O)CCSCC1)C(=O)[O-]	ZINC000909772894	613881525	/nfs/dbraw/zinc/88/15/25/613881525.db2.gz	XREHJTANYPSETL-SECBINFHSA-N	-1	0	289.353	0.017	20	30		CCEDRM
C=CCOC[C@@H](NC(=O)CC1(O)CCC1)C(=O)[O-]	ZINC000909769114	613881600	/nfs/dbraw/zinc/88/16/00/613881600.db2.gz	ALCYLJOBDDYHIX-SECBINFHSA-N	-1	0	257.286	0.064	20	30		CCEDRM
C=CCOC[C@@H](NC(=O)C1(CC)COC1)C(=O)[O-]	ZINC000836751483	613881608	/nfs/dbraw/zinc/88/16/08/613881608.db2.gz	FRJZKROYRAFHFH-SECBINFHSA-N	-1	0	257.286	0.185	20	30		CCEDRM
C=CCOC[C@@H](NC(=O)NC/C=C/Cl)C(=O)[O-]	ZINC000900313883	613881626	/nfs/dbraw/zinc/88/16/26/613881626.db2.gz	RKFWSJDYAOEQAI-MPJRPATESA-N	-1	0	262.693	0.694	20	30		CCEDRM
C=CCOC[C@@H](NC(=O)Cc1ccco1)C(=O)[O-]	ZINC000909772570	613881689	/nfs/dbraw/zinc/88/16/89/613881689.db2.gz	SCDNSTUCVHULPF-SNVBAGLBSA-N	-1	0	253.254	0.594	20	30		CCEDRM
C=CCOC[C@@H](NC(=O)[C@@]1(C)CCCCO1)C(=O)[O-]	ZINC000909771796	613881752	/nfs/dbraw/zinc/88/17/52/613881752.db2.gz	QHTDDTMSBJPXEX-ZWNOBZJWSA-N	-1	0	271.313	0.718	20	30		CCEDRM
C=CCOC[C@@H](NC(=O)c1ccn(C)c1C)C(=O)[O-]	ZINC000851607159	613881919	/nfs/dbraw/zinc/88/19/19/613881919.db2.gz	KOPXHUARTXYNBT-LLVKDONJSA-N	-1	0	266.297	0.719	20	30		CCEDRM
C=CCOC[C@H](NC(=O)C1CCN(OC)CC1)C(=O)[O-]	ZINC000909769544	613882249	/nfs/dbraw/zinc/88/22/49/613882249.db2.gz	AEFZLDOAXZKISN-NSHDSACASA-N	-1	0	286.328	0.032	20	30		CCEDRM
C=CCOC[C@H](NC(=O)NCCC(=C)C)C(=O)[O-]	ZINC000909031195	613882303	/nfs/dbraw/zinc/88/23/03/613882303.db2.gz	VQMYDFSVLBBFBU-JTQLQIEISA-N	-1	0	256.302	0.908	20	30		CCEDRM
C=CCOC[C@H](NC(=O)N[C@H]1CCO[C@H](C)C1)C(=O)[O-]	ZINC000909032329	613882404	/nfs/dbraw/zinc/88/24/04/613882404.db2.gz	BGKVROLLBZNKRI-VWYCJHECSA-N	-1	0	286.328	0.509	20	30		CCEDRM
C=CCOC[C@H](NC(=O)[C@@H](C)Oc1cccnc1)C(=O)[O-]	ZINC000909771759	613882422	/nfs/dbraw/zinc/88/24/22/613882422.db2.gz	POZGUYRVLCKHSP-PWSUYJOCSA-N	-1	0	294.307	0.621	20	30		CCEDRM
C=CCOC[C@H](NC(=O)[C@H](CC(C)C)OC)C(=O)[O-]	ZINC000909772565	613882569	/nfs/dbraw/zinc/88/25/69/613882569.db2.gz	RYFPGUJQTCTRPN-QWRGUYRKSA-N	-1	0	273.329	0.820	20	30		CCEDRM
C=CCOC[C@H](NC(=O)c1ccc(N(C)C)nc1)C(=O)[O-]	ZINC000909770428	613882683	/nfs/dbraw/zinc/88/26/83/613882683.db2.gz	JBFAYARTORUALZ-NSHDSACASA-N	-1	0	293.323	0.533	20	30		CCEDRM
C=CCO[N-]C(=O)[C@H](C)n1cnc2c1ncnc2N	ZINC000854853063	613884558	/nfs/dbraw/zinc/88/45/58/613884558.db2.gz	VOMWXBCPYZRFAL-ZETCQYMHSA-N	-1	0	262.273	0.203	20	30		CCEDRM
C=CCS(=O)(=O)CCNC(=O)c1ccc(C(=O)[O-])cn1	ZINC000833378101	613885571	/nfs/dbraw/zinc/88/55/71/613885571.db2.gz	JFGXBQIKSVIQBB-UHFFFAOYSA-N	-1	0	298.320	0.110	20	30		CCEDRM
C=CCS(=O)(=O)[N-]C(=O)C1SCCS1	ZINC000842328112	613886153	/nfs/dbraw/zinc/88/61/53/613886153.db2.gz	OGXZZRDXTROWLG-UHFFFAOYSA-N	-1	0	253.370	0.425	20	30		CCEDRM
C=CCS(=O)(=O)[N-]C(=O)c1cc(C#N)cc(N(C)C)c1	ZINC000815997494	613886313	/nfs/dbraw/zinc/88/63/13/613886313.db2.gz	NUUSULSWAHNFIY-UHFFFAOYSA-N	-1	0	293.348	0.870	20	30		CCEDRM
CC(C)OCCC(=O)[N-]S(=O)(=O)c1cncc(C#N)c1	ZINC000813983200	614009374	/nfs/dbraw/zinc/00/93/74/614009374.db2.gz	LOFBUZDDZHXKSN-UHFFFAOYSA-N	-1	0	297.336	0.573	20	30		CCEDRM
CC(C)(C)c1cc(C(=O)[N-]S(=O)(=O)CCC#N)[nH]n1	ZINC000835412620	614047142	/nfs/dbraw/zinc/04/71/42/614047142.db2.gz	VBGPNKSCUSRQJD-UHFFFAOYSA-N	-1	0	284.341	0.680	20	30		CCEDRM
CC(C)Oc1cc(C(=O)[N-]S(=O)(=O)CCC#N)ccn1	ZINC000835410945	614054403	/nfs/dbraw/zinc/05/44/03/614054403.db2.gz	LCOAWMJZHMYBDB-UHFFFAOYSA-N	-1	0	297.336	0.842	20	30		CCEDRM
CC(C)(C)n1cc(C=Nn2c(=O)[n-][nH]c2=O)cn1	ZINC000814232080	614060675	/nfs/dbraw/zinc/06/06/75/614060675.db2.gz	UZDDWOMXYQKJCV-UHFFFAOYSA-N	-1	0	250.262	0.523	20	30		CCEDRM
CC(C)SCC(=O)[N-]S(=O)(=O)c1cncc(C#N)c1	ZINC000813980691	614070539	/nfs/dbraw/zinc/07/05/39/614070539.db2.gz	GIVPQZBDLPADQU-UHFFFAOYSA-N	-1	0	299.377	0.900	20	30		CCEDRM
CC(C)(CC(=O)[O-])CC(=O)N1CCOC[C@H]1C#N	ZINC000833452934	614079039	/nfs/dbraw/zinc/07/90/39/614079039.db2.gz	ZJWGXCASWJOFMW-SECBINFHSA-N	-1	0	254.286	0.628	20	30		CCEDRM
CC(C)(CNC(=O)NC1CCN(CC#N)CC1)NC(=O)[O-]	ZINC000823930927	614098757	/nfs/dbraw/zinc/09/87/57/614098757.db2.gz	REFDQEKPVLLOTA-UHFFFAOYSA-N	-1	0	297.359	0.320	20	30		CCEDRM
CC(C)[C@H](C#N)OC(=O)C[C@H]1CN(C(=O)[O-])CCO1	ZINC000824056237	614187769	/nfs/dbraw/zinc/18/77/69/614187769.db2.gz	KPGDSCDOLHPNFV-UWVGGRQHSA-N	-1	0	270.285	0.847	20	30		CCEDRM
CC(C)[C@](C)(C#N)NC(=O)CN(C)[C@H](C)C(=O)[O-]	ZINC000817771979	614285976	/nfs/dbraw/zinc/28/59/76/614285976.db2.gz	APWXAXYEWORKNN-SKDRFNHKSA-N	-1	0	255.318	0.446	20	30		CCEDRM
CC(C)(C#N)CS(=O)(=O)N1CCC[C@H]1CC(=O)[O-]	ZINC000905988320	614286355	/nfs/dbraw/zinc/28/63/55/614286355.db2.gz	HAPWUUOHGQBDTG-VIFPVBQESA-N	-1	0	274.342	0.805	20	30		CCEDRM
CC(C)(C#N)CS(=O)(=O)N1CCC[C@]1(C)C(=O)[O-]	ZINC000899934186	614286502	/nfs/dbraw/zinc/28/65/02/614286502.db2.gz	CKQCJSIVCKOYSA-LLVKDONJSA-N	-1	0	274.342	0.805	20	30		CCEDRM
CC(C)n1nnnc1COC(=O)[C@](C)(C#N)CC(=O)[O-]	ZINC000820066919	614378134	/nfs/dbraw/zinc/37/81/34/614378134.db2.gz	SRSKUZKPCFMQCK-NSHDSACASA-N	-1	0	281.272	0.302	20	30		CCEDRM
CCC1(C(=O)[N-]S(=O)(=O)c2cncc(C#N)c2)COC1	ZINC000813981948	614663195	/nfs/dbraw/zinc/66/31/95/614663195.db2.gz	NSMSSQMDXMDGDP-UHFFFAOYSA-N	-1	0	295.320	0.185	20	30		CCEDRM
CCCNC(=O)[C@@H](C)OC(=O)[C@](C)(C#N)CC(=O)[O-]	ZINC000820321089	614869352	/nfs/dbraw/zinc/86/93/52/614869352.db2.gz	GVAQUSRAAMSEIX-PELKAZGASA-N	-1	0	270.285	0.449	20	30		CCEDRM
CCN(CC#N)C(=O)C1(OC)CCN(C(=O)[O-])CC1	ZINC000833856464	614923125	/nfs/dbraw/zinc/92/31/25/614923125.db2.gz	JQWDIFLEIWXPTC-UHFFFAOYSA-N	-1	0	269.301	0.517	20	30		CCEDRM
CC1=CC(=O)C(=C([O-])C=Cc2cnccn2)C(=O)O1	ZINC000809152278	614968573	/nfs/dbraw/zinc/96/85/73/614968573.db2.gz	PCQUDYXVEWGUPO-ZZKXABKFSA-N	-1	0	258.233	0.705	20	30		CCEDRM
CCC[C@@H](NC(=O)[O-])C(=O)N1CCOC[C@H]1C#N	ZINC000826752631	614991458	/nfs/dbraw/zinc/99/14/58/614991458.db2.gz	YFNPZOXQGLYEEW-RKDXNWHRSA-N	-1	0	255.274	0.174	20	30		CCEDRM
CC1CC(C#N)(C(=O)N2CC[C@](F)(C(=O)[O-])C2)C1	ZINC000828151572	615010856	/nfs/dbraw/zinc/01/08/56/615010856.db2.gz	WKTIEXIHBNDMNJ-YPXMJKPUSA-N	-1	0	254.261	0.951	20	30		CCEDRM
CC1CC(C#N)(C(=O)NC[C@]2(C(=O)[O-])CCCOC2)C1	ZINC000923099786	615011098	/nfs/dbraw/zinc/01/10/98/615011098.db2.gz	FZGSAYWQUCYRMJ-IWXRYERYSA-N	-1	0	280.324	0.924	20	30		CCEDRM
CCN(CCC#N)C(=O)CN1CC[C@H](N(C)C(=O)[O-])C1	ZINC000827111688	615022075	/nfs/dbraw/zinc/02/20/75/615022075.db2.gz	QNYVLZFSWWWWDA-NSHDSACASA-N	-1	0	282.344	0.433	20	30		CCEDRM
CCC[C@H](C#N)NC(=O)C[C@@H]1CN(C(=O)[O-])CCO1	ZINC000826706115	615033380	/nfs/dbraw/zinc/03/33/80/615033380.db2.gz	MIUNQSJFLVFBSS-NXEZZACHSA-N	-1	0	269.301	0.564	20	30		CCEDRM
CCN(CCO)N=Cc1ccc(OC)cc1OCC(=O)[O-]	ZINC000842535305	615055226	/nfs/dbraw/zinc/05/52/26/615055226.db2.gz	NMDCRZITSDEHHS-UHFFFAOYSA-N	-1	0	296.323	0.807	20	30		CCEDRM
CCN(C[C@@H](C)C#N)C(=O)CN(CC(=O)[O-])C1CC1	ZINC000829643302	615061534	/nfs/dbraw/zinc/06/15/34/615061534.db2.gz	ZWZBUGUNDJKJSN-JTQLQIEISA-N	-1	0	267.329	0.544	20	30		CCEDRM
CCN(C[C@@H](C)C#N)C(=O)C[C@H]1CN(C(=O)[O-])CCO1	ZINC000827020031	615061733	/nfs/dbraw/zinc/06/17/33/615061733.db2.gz	KHDYBASXXDDTHV-QWRGUYRKSA-N	-1	0	283.328	0.763	20	30		CCEDRM
CCNc1nc(C(=O)N[C@@H]2CCN(O)C2=O)cs1	ZINC000820131009	615140403	/nfs/dbraw/zinc/14/04/03/615140403.db2.gz	FDNGKNAWXSKJQU-ZCFIWIBFSA-N	-1	0	270.314	0.295	20	30		CCEDRM
CCN1CCN(C(=O)[C@@](C)(C#N)CC(=O)[O-])C[C@@H]1C	ZINC000820353946	615152045	/nfs/dbraw/zinc/15/20/45/615152045.db2.gz	IWRNCYBRTDUGSL-GXFFZTMASA-N	-1	0	267.329	0.544	20	30		CCEDRM
CCOC(=O)CCCN1CCN(C(=O)[O-])C[C@H]1C#N	ZINC000827305233	615172732	/nfs/dbraw/zinc/17/27/32/615172732.db2.gz	FAYNZBGTWKYPCK-SNVBAGLBSA-N	-1	0	269.301	0.517	20	30		CCEDRM
CCOC(=O)N1CCN(C(=O)[C@@](C)(C#N)CC(=O)[O-])CC1	ZINC000820368969	615230086	/nfs/dbraw/zinc/23/00/86/615230086.db2.gz	AVXQQBYTOYXXLD-CYBMUJFWSA-N	-1	0	297.311	0.292	20	30		CCEDRM
CCOCCC(=O)N1CCN(C(=O)[O-])C[C@H]1C#N	ZINC000827393806	615235660	/nfs/dbraw/zinc/23/56/60/615235660.db2.gz	FXGLNRJZRUAWKM-SECBINFHSA-N	-1	0	255.274	0.127	20	30		CCEDRM
CCOC(=O)[C@@H](C)NC(=O)[C@@](C)(C#N)CC(=O)[O-]	ZINC000820360835	615265361	/nfs/dbraw/zinc/26/53/61/615265361.db2.gz	GZXHVDYZXPOAPA-RDDDGLTNSA-N	-1	0	256.258	0.059	20	30		CCEDRM
CCOCCS(=O)(=O)N1CCC[C@@H](C#CC(=O)[O-])C1	ZINC000899930002	615295630	/nfs/dbraw/zinc/29/56/30/615295630.db2.gz	NRTCJPVZHHABDT-NSHDSACASA-N	-1	0	289.353	0.153	20	30		CCEDRM
CCOCCS(=O)(=O)[N-]C(=O)CCCCC#N	ZINC000847644528	615296519	/nfs/dbraw/zinc/29/65/19/615296519.db2.gz	OVZLFFYLHKTWEU-UHFFFAOYSA-N	-1	0	262.331	0.553	20	30		CCEDRM
CCOC[C@@H](C(=O)[O-])N(C)C(=O)c1ccc(C#N)nc1	ZINC000829966815	615303943	/nfs/dbraw/zinc/30/39/43/615303943.db2.gz	PJNODXWOINEFGL-NSHDSACASA-N	-1	0	277.280	0.515	20	30		CCEDRM
CC[C@@H](C#N)C(=O)N1CCSC[C@@H]1c1nnn[n-]1	ZINC000907479952	615365448	/nfs/dbraw/zinc/36/54/48/615365448.db2.gz	JVYDTWIHJKTCJI-JGVFFNPUSA-N	-1	0	266.330	0.366	20	30		CCEDRM
CC[C@@H](C#N)[N-]S(=O)(=O)N=[S@](C)(=O)CC	ZINC000906060645	615366244	/nfs/dbraw/zinc/36/62/44/615366244.db2.gz	KHTNRHWSBFLFBF-JKYUHCHBSA-N	-1	0	253.349	0.241	20	30		CCEDRM
CCO[N-]C(=O)CNC(=O)c1cc(C#N)cc(N(C)C)c1	ZINC000846491266	615370620	/nfs/dbraw/zinc/37/06/20/615370620.db2.gz	NPWZOZWIAMEWPG-UHFFFAOYSA-N	-1	0	290.323	0.422	20	30		CCEDRM
CCNC(=O)C(C)(C)CNC(=O)[C@@](C)(C#N)CC(=O)[O-]	ZINC000820353768	615452979	/nfs/dbraw/zinc/45/29/79/615452979.db2.gz	BOHOGLLFDZKYRW-CYBMUJFWSA-N	-1	0	283.328	0.269	20	30		CCEDRM
CCOc1ccccc1C=NOCC(=O)NCC(=O)[O-]	ZINC000820392183	615518175	/nfs/dbraw/zinc/51/81/75/615518175.db2.gz	XUZDAKKKWWVDKR-UHFFFAOYSA-N	-1	0	280.280	0.637	20	30		CCEDRM
CCOc1nc(C)ccc1C(=O)[N-]S(=O)(=O)CCC#N	ZINC000835408000	615525078	/nfs/dbraw/zinc/52/50/78/615525078.db2.gz	AOTRWZMYUAVKNP-UHFFFAOYSA-N	-1	0	297.336	0.762	20	30		CCEDRM
CCc1cc(CNC(=O)[C@@](C)(C#N)CC(=O)[O-])[nH]n1	ZINC000820474094	615649742	/nfs/dbraw/zinc/64/97/42/615649742.db2.gz	JHWLPSMJLWZXDK-GFCCVEGCSA-N	-1	0	264.285	0.593	20	30		CCEDRM
CCc1ccc(OCC(=O)[N-]S(=O)(=O)CCC#N)cc1	ZINC000835412438	615676962	/nfs/dbraw/zinc/67/69/62/615676962.db2.gz	HEQTYXWLZSHAMU-UHFFFAOYSA-N	-1	0	296.348	0.987	20	30		CCEDRM
CC[C@H](C)NC(=O)[C@@H](C)OC(=O)[C@@](C)(C#N)CC(=O)[O-]	ZINC000820266578	615677708	/nfs/dbraw/zinc/67/77/08/615677708.db2.gz	MIWZPGPCIBJYFH-IGJMFERPSA-N	-1	0	284.312	0.837	20	30		CCEDRM
CCc1nnsc1C(=O)N[C@H]1CCCN(O)C1=O	ZINC000816758423	615825774	/nfs/dbraw/zinc/82/57/74/615825774.db2.gz	PHACKFASDUQEDM-ZETCQYMHSA-N	-1	0	270.314	0.211	20	30		CCEDRM
CN(C(=O)[C@](C)(C#N)CC(=O)[O-])[C@@H]1CCSC1	ZINC000820517758	615889546	/nfs/dbraw/zinc/88/95/46/615889546.db2.gz	QNADYEDJPAKCQE-KCJUWKMLSA-N	-1	0	256.327	0.955	20	30		CCEDRM
CN(CCC#N)S(=O)(=O)N(C)C1(C(=O)[O-])CCCC1	ZINC000830727439	616067923	/nfs/dbraw/zinc/06/79/23/616067923.db2.gz	UBDAHPAEYMNSFW-UHFFFAOYSA-N	-1	0	289.357	0.406	20	30		CCEDRM
CN(CCC(=O)[O-])C(=O)C#Cc1ccc2c(c1)OCO2	ZINC000818413264	616068682	/nfs/dbraw/zinc/06/86/82/616068682.db2.gz	GPHVAWDTSLIMIV-UHFFFAOYSA-N	-1	0	275.260	0.700	20	30		CCEDRM
COC(=O)C1=C(C)O[C@H](CN(CC#N)CC(=O)[O-])C1	ZINC000833702531	616406061	/nfs/dbraw/zinc/40/60/61/616406061.db2.gz	ZJFHXXXLUNBNLV-VIFPVBQESA-N	-1	0	268.269	0.132	20	30		CCEDRM
COCCNC(=O)C(C#N)=C([O-])c1cc(COC)cs1	ZINC000850757552	616496593	/nfs/dbraw/zinc/49/65/93/616496593.db2.gz	MBPMRWGDNHFVAX-SNVBAGLBSA-N	-1	0	296.348	0.980	20	30		CCEDRM
COCCNC(=O)[C@H](C#N)C(=O)[C@H]1CCC[C@H](C(=O)[O-])C1	ZINC000831744957	616496610	/nfs/dbraw/zinc/49/66/10/616496610.db2.gz	NPBGBBMYUMXBGD-GARJFASQSA-N	-1	0	296.323	0.349	20	30		CCEDRM
COCCNC(=O)C(C#N)=C([O-])c1noc2c1CCCC2	ZINC000916891435	616496696	/nfs/dbraw/zinc/49/66/96/616496696.db2.gz	WFQIRWNIVZKJAU-SNVBAGLBSA-N	-1	0	291.307	0.638	20	30		CCEDRM
COC(=O)CN(CC#N)C(=O)c1cccc(F)c1[O-]	ZINC000933217924	616587633	/nfs/dbraw/zinc/58/76/33/616587633.db2.gz	HXTHSUJGBNKUQV-UHFFFAOYSA-N	-1	0	266.228	0.670	20	30		CCEDRM
COCCOc1cc2c(cc1C=NNCC(=O)[O-])OCO2	ZINC000814956627	616590578	/nfs/dbraw/zinc/59/05/78/616590578.db2.gz	IKTDYPXFKSLIAV-UHFFFAOYSA-N	-1	0	296.279	0.449	20	30		CCEDRM
COC[C@H](NC(=O)[C@](C)(C#N)CC(=O)[O-])C1CC1	ZINC000820710818	616713373	/nfs/dbraw/zinc/71/33/73/616713373.db2.gz	VPLRXISYOYILBM-CABZTGNLSA-N	-1	0	254.286	0.532	20	30		CCEDRM
COCC(COC)S(=O)(=O)[N-]C(=O)CC(C)(C)C#N	ZINC000851501804	616741430	/nfs/dbraw/zinc/74/14/30/616741430.db2.gz	HYNCDDSCHKGMNW-UHFFFAOYSA-N	-1	0	292.357	0.034	20	30		CCEDRM
COC(=O)[C@]1(C)CCN(C(=O)[C@@](C)(C#N)CC(=O)[O-])C1	ZINC000820653333	616760693	/nfs/dbraw/zinc/76/06/93/616760693.db2.gz	FFDNSHREDOKKLG-CHWSQXEVSA-N	-1	0	282.296	0.403	20	30		CCEDRM
CNC(=O)C(C#N)=C([O-])c1cc([N+](=O)[O-])cn1C	ZINC000917005494	616776715	/nfs/dbraw/zinc/77/67/15/616776715.db2.gz	WOSRHWKJGXKUBQ-ZETCQYMHSA-N	-1	0	250.214	0.002	20	30		CCEDRM
CNC(=O)C(C#N)=C([O-])c1ccc(-c2nn[nH]n2)cc1C	ZINC000826050929	616776971	/nfs/dbraw/zinc/77/69/71/616776971.db2.gz	IIRRFQZVJRKISZ-JTQLQIEISA-N	-1	0	284.279	0.244	20	30		CCEDRM
CNC(=O)C(C#N)=C([O-])c1cc(S(C)(=O)=O)ccc1C	ZINC000917001684	616777311	/nfs/dbraw/zinc/77/73/11/616777311.db2.gz	ASPATELQLIIPMQ-NSHDSACASA-N	-1	0	294.332	0.467	20	30		CCEDRM
COC[C@](C)(C#N)NC(=O)CN(C[C@@H]1CCCO1)C(=O)[O-]	ZINC000828885317	616816263	/nfs/dbraw/zinc/81/62/63/616816263.db2.gz	BVDGIMBMQOQNLM-GWCFXTLKSA-N	-1	0	299.327	0.190	20	30		CCEDRM
COC[C@](C)(C#N)NC(=O)c1ccc(CNC(=O)[O-])o1	ZINC000828885296	616817593	/nfs/dbraw/zinc/81/75/93/616817593.db2.gz	BJXNCKZCLBNWJV-LBPRGKRZSA-N	-1	0	281.268	0.706	20	30		CCEDRM
CNC(=O)C(C#N)=C([O-])c1ccc2c(c1)N(C)CCO2	ZINC000892518551	616839425	/nfs/dbraw/zinc/83/94/25/616839425.db2.gz	XRAWVUPGUBULCE-SNVBAGLBSA-N	-1	0	273.292	0.584	20	30		CCEDRM
CNC(=O)C(C#N)=C([O-])c1cn(Cc2ccccc2)nn1	ZINC000917001910	616839812	/nfs/dbraw/zinc/83/98/12/616839812.db2.gz	BEHQOWRDZZCGFU-LLVKDONJSA-N	-1	0	283.291	0.395	20	30		CCEDRM
COC[C@@H](C)[C@@H](C)C(=O)[N-]S(=O)(=O)CC1(C#N)CC1	ZINC000813084432	616840900	/nfs/dbraw/zinc/84/09/00/616840900.db2.gz	QJUKSGZGZZKNOM-NXEZZACHSA-N	-1	0	288.369	0.655	20	30		CCEDRM
COC(=O)c1cc(CN(CC#N)CC(=O)[O-])oc1C	ZINC000831248364	616844655	/nfs/dbraw/zinc/84/46/55/616844655.db2.gz	JQRPQRDYVAEWJN-UHFFFAOYSA-N	-1	0	266.253	0.785	20	30		CCEDRM
COCCCCS(=O)(=O)[N-]C(=O)[C@H](C)CC#N	ZINC000850952040	616869264	/nfs/dbraw/zinc/86/92/64/616869264.db2.gz	MEYDQGVJUCSYRC-SECBINFHSA-N	-1	0	262.331	0.409	20	30		CCEDRM
COCc1ccc(C(=O)N2CCN(C(=O)[O-])C[C@@H]2C#N)o1	ZINC000829040120	616888973	/nfs/dbraw/zinc/88/89/73/616888973.db2.gz	IRWNEHXSPDGNQZ-VIFPVBQESA-N	-1	0	293.279	0.754	20	30		CCEDRM
CO[C@@]1(C(=O)[O-])CCN(C(=O)C2(C#N)CCSCC2)C1	ZINC000907728408	616922116	/nfs/dbraw/zinc/92/21/16/616922116.db2.gz	YZWPYZPFTGGXKY-ZDUSSCGKSA-N	-1	0	298.364	0.725	20	30		CCEDRM
CNC(=S)NN=Cc1ccc(OCCC(=O)[O-])cc1	ZINC000915936339	616931935	/nfs/dbraw/zinc/93/19/35/616931935.db2.gz	KEHCDYNSOYNKNW-UHFFFAOYSA-N	-1	0	281.337	0.968	20	30		CCEDRM
COC(=O)Nc1ccccc1C(=O)N[C@H]1CCN(O)C1=O	ZINC000820185647	616936956	/nfs/dbraw/zinc/93/69/56/616936956.db2.gz	PIYMWIORCSPJJD-JTQLQIEISA-N	-1	0	293.279	0.585	20	30		CCEDRM
COCCN(CC(=O)[O-])C(=O)C1(C#N)CC(C)C1	ZINC000818536982	616981076	/nfs/dbraw/zinc/98/10/76/616981076.db2.gz	NBFDPBJNMVUULI-UHFFFAOYSA-N	-1	0	254.286	0.486	20	30		CCEDRM
COCCN(CC(=O)[O-])C(=O)c1cc(C#N)cn1C	ZINC000818537001	616982434	/nfs/dbraw/zinc/98/24/34/616982434.db2.gz	PQMZEAUFYUXMEI-UHFFFAOYSA-N	-1	0	265.269	0.070	20	30		CCEDRM
COCCN(CC(=O)[O-])C(=O)c1ccc(C#N)cn1	ZINC000104210081	616982913	/nfs/dbraw/zinc/98/29/13/616982913.db2.gz	QPBCGRQANZKAPO-UHFFFAOYSA-N	-1	0	263.253	0.126	20	30		CCEDRM
COC[C@@](C)(C#N)NC(=O)[C@H]1CCCN(C(=O)[O-])C1	ZINC000828885302	617011405	/nfs/dbraw/zinc/01/14/05/617011405.db2.gz	BMTAUPKEHXTGHN-JOYOIKCWSA-N	-1	0	269.301	0.421	20	30		CCEDRM
CO[C@H](C)CC(=O)N1CCN(C(=O)[O-])C[C@H]1C#N	ZINC000828825225	617049992	/nfs/dbraw/zinc/04/99/92/617049992.db2.gz	YOVQLSVSMPKSQV-RKDXNWHRSA-N	-1	0	255.274	0.126	20	30		CCEDRM
CO[C@]1(C(=O)[O-])CCN(C(=O)C2(C#N)CCC2)C1	ZINC000923098692	617130798	/nfs/dbraw/zinc/13/07/98/617130798.db2.gz	NOZLPLWULBZTKE-GFCCVEGCSA-N	-1	0	252.270	0.382	20	30		CCEDRM
C#C[C@H](C)NS(=O)(=O)c1cc(C(=O)[O-])ccc1C	ZINC000122959911	625406601	/nfs/dbraw/zinc/40/66/01/625406601.db2.gz	FOVWDDJCCPORQD-VIFPVBQESA-N	-1	0	267.306	0.993	20	30		CCEDRM
CN1N=C(C(=O)Nc2cc(C#N)ccc2[O-])CCC1=O	ZINC000176817132	623079574	/nfs/dbraw/zinc/07/95/74/623079574.db2.gz	XGKCVUYKUXNOEA-UHFFFAOYSA-N	-1	0	272.264	0.811	20	30		CCEDRM
N#Cc1ccc(S(=O)(=O)NC/C=C\C(=O)[O-])s1	ZINC000310289855	623257409	/nfs/dbraw/zinc/25/74/09/623257409.db2.gz	KESIJXYJBIQYDW-UPHRSURJSA-N	-1	0	272.307	0.539	20	30		CCEDRM
C#CC[C@H](NC(=O)C1Cc2ccccc2C1)C(=O)[O-]	ZINC000236446615	623506690	/nfs/dbraw/zinc/50/66/90/623506690.db2.gz	BDKQSNKOKWQBMQ-ZDUSSCGKSA-N	-1	0	257.289	0.994	20	30		CCEDRM
C#C[C@@H](CC)NS(=O)(=O)c1cc(C(=O)[O-])oc1C	ZINC000229872194	623571238	/nfs/dbraw/zinc/57/12/38/623571238.db2.gz	XHZUCAJTIIVOPK-QMMMGPOBSA-N	-1	0	271.294	0.976	20	30		CCEDRM
C[C@@H]1CO[C@H](C(=O)C(C#N)=C([O-])c2nccn2C)C1	ZINC000892863827	623857101	/nfs/dbraw/zinc/85/71/01/623857101.db2.gz	OEAGKSLUVQSTPK-GUBZILKMSA-N	-1	0	261.281	0.737	20	30		CCEDRM
C[C@@H]1CO[C@H](C(=O)[N-]S(=O)(=O)CCCC#N)C1	ZINC000892925586	623865817	/nfs/dbraw/zinc/86/58/17/623865817.db2.gz	KMYQMPGHBIHABD-IUCAKERBSA-N	-1	0	260.315	0.161	20	30		CCEDRM
CC(C)S(=O)(=O)[N-]C(=O)Cn1cc([N+](=O)[O-])cn1	ZINC000049417377	624460608	/nfs/dbraw/zinc/46/06/08/624460608.db2.gz	HOASQKMERXYXPP-UHFFFAOYSA-N	-1	0	276.274	0.486	20	30		CCEDRM
C#C[C@@H]1CCCCN1C(=O)c1cnc([O-])n(C)c1=O	ZINC000890652679	624547537	/nfs/dbraw/zinc/54/75/37/624547537.db2.gz	VREHQGYLAWGRLZ-SECBINFHSA-N	-1	0	261.281	0.114	20	30		CCEDRM
CS(=O)(=O)[N-]C(=O)c1ccc(N2CCNC2=O)cc1	ZINC000048480429	624784681	/nfs/dbraw/zinc/78/46/81/624784681.db2.gz	AOTWXZQISCNPCG-UHFFFAOYSA-N	-1	0	283.309	0.480	20	30		CCEDRM
COC(=O)c1cccc(C(=O)[N-]S(C)(=O)=O)c1	ZINC000048480840	624785339	/nfs/dbraw/zinc/78/53/39/624785339.db2.gz	IOLHOLVOXGPYJC-UHFFFAOYSA-N	-1	0	257.267	0.737	20	30		CCEDRM
Cn1cc(/C=C\C(=O)c2cnc([O-])n(C)c2=O)cn1	ZINC000255414588	624998913	/nfs/dbraw/zinc/99/89/13/624998913.db2.gz	TVKXAZRJPBCJON-ARJAWSKDSA-N	-1	0	260.253	0.116	20	30		CCEDRM
C[C@H](NC(=O)COCC(=O)[O-])c1cccc(C#N)c1	ZINC000902728780	634446272	/nfs/dbraw/zinc/44/62/72/634446272.db2.gz	BKULCWBNJJHRKV-VIFPVBQESA-N	-1	0	262.265	0.837	20	30		CCEDRM
Cc1cc(S(=O)(=O)NCCC#N)sc1C(=O)[O-]	ZINC000054156417	631629942	/nfs/dbraw/zinc/62/99/42/631629942.db2.gz	JFJOJYJLUFEUFX-UHFFFAOYSA-N	-1	0	274.323	0.947	20	30		CCEDRM
CC(=O)N(C)CC(=O)[N-]S(=O)(=O)c1ccccc1F	ZINC000048519187	631729178	/nfs/dbraw/zinc/72/91/78/631729178.db2.gz	QGRDQZSFBHUJFG-UHFFFAOYSA-N	-1	0	288.300	0.949	20	30		CCEDRM
C#CCOCCC(=O)[N-]S(=O)(=O)CCC(C)C	ZINC000166453409	632032811	/nfs/dbraw/zinc/03/28/11/632032811.db2.gz	IFEIIZLKMFSDEB-UHFFFAOYSA-N	-1	0	261.343	0.518	20	30		CCEDRM
C[C@]1(C(=O)[N-]Oc2cccc(C#N)c2)CCNC(=O)C1	ZINC000899784759	633896020	/nfs/dbraw/zinc/89/60/20/633896020.db2.gz	APWLMFFWBNFTIM-AWEZNQCLSA-N	-1	0	273.292	0.885	20	30		CCEDRM
Cn1nc(C(=O)[O-])cc1C=NN[C@H]1CCCSC1	ZINC000901277939	634218692	/nfs/dbraw/zinc/21/86/92/634218692.db2.gz	KSVJHAKFQIYHTC-QMMMGPOBSA-N	-1	0	268.342	0.937	20	30		CCEDRM
Cn1nc(C(=O)[O-])cc1C=Nn1nnc2c1CCCC2	ZINC000901326204	634233775	/nfs/dbraw/zinc/23/37/75/634233775.db2.gz	CRLYEOOXSGAYDS-UHFFFAOYSA-N	-1	0	274.284	0.471	20	30		CCEDRM
N#Cc1c[n-]n2c1nc(CSC1COC1)cc2=O	ZINC000901643050	634265863	/nfs/dbraw/zinc/26/58/63/634265863.db2.gz	FFEDWQCKJDFIDT-UHFFFAOYSA-N	-1	0	262.294	0.939	20	30		CCEDRM
Cc1cc(C#N)ccc1C(=O)N=c1nn[n-]n1C1CC1	ZINC000905842269	634910605	/nfs/dbraw/zinc/91/06/05/634910605.db2.gz	RNTRCQHMBQMGPR-UHFFFAOYSA-N	-1	0	268.280	0.862	20	30		CCEDRM
Cc1cc(C#N)cc(C)c1C(=O)N(C)c1nnn[n-]1	ZINC000906045194	634952288	/nfs/dbraw/zinc/95/22/88/634952288.db2.gz	LLHDPYPEIYJFDI-UHFFFAOYSA-N	-1	0	256.269	0.965	20	30		CCEDRM
Cc1ccc(C(=O)[O-])cc1S(=O)(=O)N1CC(C#N)C1	ZINC000906997883	635060191	/nfs/dbraw/zinc/06/01/91/635060191.db2.gz	NNKRCUQLTOPTMM-UHFFFAOYSA-N	-1	0	280.305	0.837	20	30		CCEDRM
C[C@@H](CC#N)C(=O)N1CCSC[C@H]1c1nnn[n-]1	ZINC000907480137	635141248	/nfs/dbraw/zinc/14/12/48/635141248.db2.gz	LMSPMTWSATWSFL-YUMQZZPRSA-N	-1	0	266.330	0.366	20	30		CCEDRM
Cc1[nH]nc(Cl)c1C(=O)N[C@@H]1CCCN(O)C1=O	ZINC000908402499	635366475	/nfs/dbraw/zinc/36/64/75/635366475.db2.gz	HQOQRYYCWWLSMX-ZCFIWIBFSA-N	-1	0	272.692	0.482	20	30		CCEDRM
C#CCOCCC(=O)[N-]S(=O)(=O)C[C@@H](C)CCC	ZINC000166486012	636928076	/nfs/dbraw/zinc/92/80/76/636928076.db2.gz	JGDRJPPORJYCPK-NSHDSACASA-N	-1	0	275.370	0.909	20	30		CCEDRM
C#C[C@H](CC)NS(=O)(=O)c1ccc(OCC(=O)[O-])cc1	ZINC000229870722	637134608	/nfs/dbraw/zinc/13/46/08/637134608.db2.gz	MWBLLFUSJMCUIR-SNVBAGLBSA-N	-1	0	297.332	0.840	20	30		CCEDRM
CC[C@@H](C#N)NC(=O)c1n[n-]c2ccccc2c1=O	ZINC000172378415	637172596	/nfs/dbraw/zinc/17/25/96/637172596.db2.gz	TVPZTRDYXGCDIQ-QMMMGPOBSA-N	-1	0	256.265	0.955	20	30		CCEDRM
COCCNC(=O)C(C#N)=C([O-])c1cccc([N+](=O)[O-])c1	ZINC000193420089	637736207	/nfs/dbraw/zinc/73/62/07/637736207.db2.gz	MDIMAYHVWOWMGN-LLVKDONJSA-N	-1	0	291.263	0.680	20	30		CCEDRM
Cc1ncc(C(=O)[N-]S(=O)(=O)CCCC#N)s1	ZINC000181281080	638329148	/nfs/dbraw/zinc/32/91/48/638329148.db2.gz	JFIBXGJTSOBDPC-UHFFFAOYSA-N	-1	0	273.339	0.815	20	30		CCEDRM
C[C@@]1(C(=O)[O-])CCN(C(=O)[C@]2(C#N)CCCOC2)C1	ZINC000923064317	640013280	/nfs/dbraw/zinc/01/32/80/640013280.db2.gz	PFLNXWHIOYFFHN-OLZOCXBDSA-N	-1	0	266.297	0.630	20	30		CCEDRM
Cc1ncoc1C(=O)[N-]S(=O)(=O)CC(C)(C)C#N	ZINC000755809011	640336509	/nfs/dbraw/zinc/33/65/09/640336509.db2.gz	GKSPMDPICCXDGP-UHFFFAOYSA-N	-1	0	271.298	0.592	20	30		CCEDRM
Cc1nc(C)c(C(=O)[N-]S(=O)(=O)CC(C)(C)C#N)o1	ZINC000755808749	640336832	/nfs/dbraw/zinc/33/68/32/640336832.db2.gz	DFDKWSSUGHXDNL-UHFFFAOYSA-N	-1	0	285.325	0.901	20	30		CCEDRM
N#CCCCCCC(=O)[N-]S(=O)(=O)N1CCCC1	ZINC000805864812	640436957	/nfs/dbraw/zinc/43/69/57/640436957.db2.gz	YNTWOLFFDHTKDT-UHFFFAOYSA-N	-1	0	273.358	0.917	20	30		CCEDRM
CC#CCS(=O)(=O)[N-]C(=O)c1cccnc1C	ZINC000798203043	640485654	/nfs/dbraw/zinc/48/56/54/640485654.db2.gz	RHSMXTJILGBKKH-UHFFFAOYSA-N	-1	0	252.295	0.473	20	30		CCEDRM
C[C@@H]1C[C@@H](C)[C@@H](C(=O)[N-]S(=O)(=O)CCCC#N)O1	ZINC000800404241	640612649	/nfs/dbraw/zinc/61/26/49/640612649.db2.gz	WDOYIOBMYSBCDN-BBBLOLIVSA-N	-1	0	274.342	0.550	20	30		CCEDRM
C=C(CO)C(=O)Nc1cccc(-c2n[nH]c(=O)[n-]2)c1	ZINC000803408858	640732921	/nfs/dbraw/zinc/73/29/21/640732921.db2.gz	OFRDZICTOJHITG-UHFFFAOYSA-N	-1	0	260.253	0.664	20	30		CCEDRM
N#CCCCS(=O)(=O)[N-]C(=O)c1ocnc1C1CC1	ZINC000808997596	640884172	/nfs/dbraw/zinc/88/41/72/640884172.db2.gz	ZUYDMRIDUYKRKU-UHFFFAOYSA-N	-1	0	283.309	0.915	20	30		CCEDRM
N#Cc1cccc(C(=O)[N-]S(=O)(=O)CC2CCC2)n1	ZINC000810642881	640943201	/nfs/dbraw/zinc/94/32/01/640943201.db2.gz	WKACMKLTCGYONQ-UHFFFAOYSA-N	-1	0	279.321	0.813	20	30		CCEDRM
CC#CCS(=O)(=O)[N-]C(=O)c1cn(C)nc1C(F)F	ZINC000810775654	640949230	/nfs/dbraw/zinc/94/92/30/640949230.db2.gz	OJJBYSUEDKPZRQ-UHFFFAOYSA-N	-1	0	291.279	0.441	20	30		CCEDRM
CC#CCS(=O)(=O)[N-]C(=O)C1(COCC)CC1	ZINC000810776872	640949547	/nfs/dbraw/zinc/94/95/47/640949547.db2.gz	LTMSXEJEDRIQNT-UHFFFAOYSA-N	-1	0	259.327	0.272	20	30		CCEDRM
C[C@H]1C[C@@H]1C(=O)[N-]S(=O)(=O)c1cncc(C#N)c1	ZINC000813983472	641052258	/nfs/dbraw/zinc/05/22/58/641052258.db2.gz	WJMKQNJNZAFASJ-XVKPBYJWSA-N	-1	0	265.294	0.414	20	30		CCEDRM
C[C@@H]1C[C@H](C)CN(C(=O)CN(CC#N)CC(=O)[O-])C1	ZINC000828161511	642068620	/nfs/dbraw/zinc/06/86/20/642068620.db2.gz	NNSVIFKSHLWDAV-PHIMTYICSA-N	-1	0	267.329	0.401	20	30		CCEDRM
N#CCSCC(=O)[N-]S(=O)(=O)[C@@H]1C[C@@H]2CC[C@H]1C2	ZINC000835748682	642673363	/nfs/dbraw/zinc/67/33/63/642673363.db2.gz	UWXZMJUQMXMBAY-KXUCPTDWSA-N	-1	0	288.394	0.878	20	30		CCEDRM
O=C([O-])COc1ccccc1C=NN1CCC[C@H]1CO	ZINC000841660788	642829105	/nfs/dbraw/zinc/82/91/05/642829105.db2.gz	HSFXKWGPVIIDAN-LBPRGKRZSA-N	-1	0	278.308	0.941	20	30		CCEDRM
N#CC(C(=O)N1CCCC1)=C([O-])c1cn(C2CCC2)nn1	ZINC000842681008	642932672	/nfs/dbraw/zinc/93/26/72/642932672.db2.gz	DWZNISZDWPLFJV-LLVKDONJSA-N	-1	0	287.323	0.948	20	30		CCEDRM
N#Cc1sccc1S(=O)(=O)N(CC(=O)[O-])C1CC1	ZINC000844794652	643248477	/nfs/dbraw/zinc/24/84/77/643248477.db2.gz	HJCFLLOERHOLGB-UHFFFAOYSA-N	-1	0	286.334	0.857	20	30		CCEDRM
C#C[C@@H]1CCCN(C(=O)c2c[nH]c3nc(=O)[n-]c(=O)c-3c2)C1	ZINC000848287525	643616816	/nfs/dbraw/zinc/61/68/16/643616816.db2.gz	VGSSJBRNZMXDRG-SECBINFHSA-N	-1	0	298.302	0.921	20	30		CCEDRM
N#CC[C@]1(O)CCN(S(=O)(=O)c2ccccc2[O-])C1	ZINC000849402355	643739226	/nfs/dbraw/zinc/73/92/26/643739226.db2.gz	ZKIDYNZXPRPSMK-LBPRGKRZSA-N	-1	0	282.321	0.431	20	30		CCEDRM
C[C@H](CC#N)C(=O)[N-]S(=O)(=O)C[C@H]1CCCO1	ZINC000850938519	643822433	/nfs/dbraw/zinc/82/24/33/643822433.db2.gz	YWPDBRWDUVZNON-RKDXNWHRSA-N	-1	0	260.315	0.161	20	30		CCEDRM
C[C@H](Cc1ccco1)C(=O)[N-]S(=O)(=O)CCC#N	ZINC000851015956	643826653	/nfs/dbraw/zinc/82/66/53/643826653.db2.gz	KUXRVYZSAXZAIB-SECBINFHSA-N	-1	0	270.310	0.818	20	30		CCEDRM
Cc1nc(S(=O)(=O)[N-]C(=O)[C@@H](C)CC#N)cn1C	ZINC000851083895	643831402	/nfs/dbraw/zinc/83/14/02/643831402.db2.gz	OPAJPMOQBVEPBG-ZETCQYMHSA-N	-1	0	270.314	0.083	20	30		CCEDRM
N#Cc1ccc(CCNC(=O)COCC(=O)[O-])cc1	ZINC000852954233	644064466	/nfs/dbraw/zinc/06/44/66/644064466.db2.gz	FIJSHBFQKHMZDC-UHFFFAOYSA-N	-1	0	262.265	0.318	20	30		CCEDRM
N#CCC1(CS(=O)(=O)N[C@H]2CC=C(C(=O)[O-])C2)CC1	ZINC000853068958	644071034	/nfs/dbraw/zinc/07/10/34/644071034.db2.gz	HQQZGVZFCNTWQC-JTQLQIEISA-N	-1	0	284.337	0.773	20	30		CCEDRM
CC#CC(=O)N1CC[C@@H](C)[C@@H]([N-]C(=O)C(F)(F)F)C1	ZINC000856415901	644418400	/nfs/dbraw/zinc/41/84/00/644418400.db2.gz	IZMZBHJAFQEWFL-BDAKNGLRSA-N	-1	0	276.258	0.925	20	30		CCEDRM
O=C(C[C@H]1Cc2ccccc2O1)N[C@@H]1CCCN(O)C1=O	ZINC000868562514	645786290	/nfs/dbraw/zinc/78/62/90/645786290.db2.gz	GLRHVQUEQPHOKZ-VXGBXAGGSA-N	-1	0	290.319	0.877	20	30		CCEDRM
COc1cncc(C([O-])=C(C#N)C(=O)NC2CC2)c1C	ZINC000870141629	645965141	/nfs/dbraw/zinc/96/51/41/645965141.db2.gz	BDVPZRQNRZIPJZ-JTQLQIEISA-N	-1	0	273.292	1.000	20	30		CCEDRM
C[C@@H]1C[C@@H](C(=O)[N-]S(=O)(=O)CCCC#N)[C@@H](C)O1	ZINC000870270306	645976894	/nfs/dbraw/zinc/97/68/94/645976894.db2.gz	UTSGITWTWQLULF-OPRDCNLKSA-N	-1	0	274.342	0.550	20	30		CCEDRM
N#CCCCCS(=O)(=O)N1CC[C@@H]2[C@H](C1)[C@H]2C(=O)[O-]	ZINC000871777319	646181598	/nfs/dbraw/zinc/18/15/98/646181598.db2.gz	POKGOTWJYHTFBZ-VWYCJHECSA-N	-1	0	286.353	0.663	20	30		CCEDRM
C[C@H](C#N)C[N-]S(=O)(=O)N=[S@@](C)(=O)C(C)(C)C	ZINC000872456164	646264479	/nfs/dbraw/zinc/26/44/79/646264479.db2.gz	JXOJYHGBMGHGTF-BCTVWOGZSA-N	-1	0	281.403	0.877	20	30		CCEDRM
Cc1[nH]nc(C(=O)N2C[C@@H](C)N(CC#N)[C@@H](C)C2)c1[O-]	ZINC000880456964	647203542	/nfs/dbraw/zinc/20/35/42/647203542.db2.gz	ZSXLKGVISPCPEP-DTORHVGOSA-N	-1	0	277.328	0.482	20	30		CCEDRM
N#C[C@@H]1CCCN(Cc2cc(=O)n3[n-]ccc3n2)C1	ZINC000932153180	649054203	/nfs/dbraw/zinc/05/42/03/649054203.db2.gz	XFKJHJWZKGBBPP-JTQLQIEISA-N	-1	0	257.297	0.758	20	30		CCEDRM
C#CCCCC(=O)[N-]S(=O)(=O)c1cn(CC)c(C)n1	ZINC000191410700	649475964	/nfs/dbraw/zinc/47/59/64/649475964.db2.gz	OTRNJAAVKKRQHO-UHFFFAOYSA-N	-1	0	283.353	0.820	20	30		CCEDRM
CC[C@@H](CNS(=O)(=O)c1ccc(C#N)cc1)C(=O)[O-]	ZINC000087497668	649629404	/nfs/dbraw/zinc/62/94/04/649629404.db2.gz	ICRCVYFGGGFUCM-JTQLQIEISA-N	-1	0	282.321	0.947	20	30		CCEDRM
C=CCN(CC(=O)[O-])C(=O)NCc1nccn1C	ZINC000092468752	649724394	/nfs/dbraw/zinc/72/43/94/649724394.db2.gz	URHIENILOPQKDK-UHFFFAOYSA-N	-1	0	252.274	0.202	20	30		CCEDRM
C=C(C)C(=O)Nc1ccc(OC(=O)[C@H](O)CC(=O)[O-])cc1	ZINC001231315656	805774965	/nfs/dbraw/zinc/77/49/65/805774965.db2.gz	VYCBZDJWJZCSJK-LLVKDONJSA-N	-1	0	293.275	0.942	20	30		CCEDRM
COC(=O)[C@H]1CN(Cc2cc(C#N)ccc2[O-])CCO1	ZINC001232673644	805967253	/nfs/dbraw/zinc/96/72/53/805967253.db2.gz	KLMQFXVUZMSMDA-CYBMUJFWSA-N	-1	0	276.292	0.638	20	30		CCEDRM
CC(=O)N1CCN(Cc2cc(C#N)ccc2[O-])CC1	ZINC001232675145	805969184	/nfs/dbraw/zinc/96/91/84/805969184.db2.gz	LZSPRTMLLIEWAC-UHFFFAOYSA-N	-1	0	259.309	0.928	20	30		CCEDRM
CC/C(C)=C(/C)C(=O)NCCn1cc(C#N)c(=O)[n-]c1=O	ZINC001167523579	791508253	/nfs/dbraw/zinc/50/82/53/791508253.db2.gz	JWUKKAGMHYIYLS-KTKRTIGZSA-N	-1	0	290.323	0.683	20	30		CCEDRM
Cn1c(=O)[n-]c(N[C@@H]2CCCSC2)c(C#N)c1=O	ZINC001120822631	798943657	/nfs/dbraw/zinc/94/36/57/798943657.db2.gz	ZKFKESSFUVZELD-SSDOTTSWSA-N	-1	0	266.326	0.253	20	30		CCEDRM
Cn1nc(C([O-])=C(C#N)C(=O)NC2CC2)cc1OC(F)F	ZINC001122415718	799227500	/nfs/dbraw/zinc/22/75/00/799227500.db2.gz	ZKSVHCLWMNCGEV-SSDOTTSWSA-N	-1	0	298.249	0.623	20	30		CCEDRM
CNC(=O)C(C#N)=C([O-])c1nn(C2CCOCC2)cc1C	ZINC001122427434	799232988	/nfs/dbraw/zinc/23/29/88/799232988.db2.gz	HTBIILQADLLBCN-NSHDSACASA-N	-1	0	290.323	0.612	20	30		CCEDRM
C=CCNC(=O)C(C#N)=C([O-])c1cn(CCOC)nc1C	ZINC001122502989	799251832	/nfs/dbraw/zinc/25/18/32/799251832.db2.gz	YXSUHPNNEMDQFA-NSHDSACASA-N	-1	0	290.323	0.463	20	30		CCEDRM
CC(=O)c1ncc(C([O-])=C(C#N)C(=O)NC2CC2)s1	ZINC001122542733	799259117	/nfs/dbraw/zinc/25/91/17/799259117.db2.gz	UVZTUVFYEHCSFX-MRVPVSSYSA-N	-1	0	277.305	0.947	20	30		CCEDRM
C[C@@H](C(=O)C(C#N)=C([O-])c1nccn1C)c1cnn(C)c1	ZINC001122631926	799277723	/nfs/dbraw/zinc/27/77/23/799277723.db2.gz	LAFJUADYSSVYBC-KOLCDFICSA-N	-1	0	285.307	0.849	20	30		CCEDRM
Cn1cc([C@@H]2C[C@H]2C(=O)C(C#N)=C([O-])c2nccn2C)cn1	ZINC001122728397	799290928	/nfs/dbraw/zinc/29/09/28/799290928.db2.gz	RCXIUNNTINYYBN-QJPTWQEYSA-N	-1	0	297.318	0.849	20	30		CCEDRM
Cc1ccc([N+](=O)[O-])cc1C(=O)[N-]S(=O)(=O)CCC#N	ZINC000835411353	799926404	/nfs/dbraw/zinc/92/64/04/799926404.db2.gz	KUSBPQMUGKVIGV-UHFFFAOYSA-N	-1	0	297.292	0.877	20	30		CCEDRM
C[C@H]1CCCC[C@@H]1OCC(=O)[N-]S(=O)(=O)CCC#N	ZINC000835412974	799926934	/nfs/dbraw/zinc/92/69/34/799926934.db2.gz	XLUJDWUFNOYPPJ-QWRGUYRKSA-N	-1	0	288.369	0.941	20	30		CCEDRM
Cc1cc(C#N)c(=O)[n-]c1C(=O)N[C@@H](C)CCCO	ZINC001150451489	800336192	/nfs/dbraw/zinc/33/61/92/800336192.db2.gz	HVFTXAGGKKCWQZ-VIFPVBQESA-N	-1	0	263.297	0.858	20	30		CCEDRM
N#Cc1ccnnc1NC(=O)c1c[n-]c2cccnc2c1=O	ZINC001153852147	800677780	/nfs/dbraw/zinc/67/77/80/800677780.db2.gz	YFKSVXCLXRPXQR-UHFFFAOYSA-N	-1	0	292.258	0.837	20	30		CCEDRM
COc1nc(NCC(=O)CCC(=O)[O-])ncc1C#N	ZINC001160874148	802037905	/nfs/dbraw/zinc/03/79/05/802037905.db2.gz	PMZZFUBVGBTUBL-UHFFFAOYSA-N	-1	0	264.241	0.203	20	30		CCEDRM
N#Cc1cnnc(NCC[N-]C(=O)C(F)(F)F)c1	ZINC001164244081	802696108	/nfs/dbraw/zinc/69/61/08/802696108.db2.gz	SZTNUFHDOTWCTQ-UHFFFAOYSA-N	-1	0	259.191	0.439	20	30		CCEDRM
N#Cc1c[n-]c(=O)n(Cc2cc(Cl)ccn2)c1=O	ZINC001166385006	802902736	/nfs/dbraw/zinc/90/27/36/802902736.db2.gz	WROBJRORMWQZCF-UHFFFAOYSA-N	-1	0	262.656	0.505	20	30		CCEDRM
C=C(Cl)CNS(=O)(=O)[C@H]1CC[C@H]1C(=O)[O-]	ZINC001465110503	804110697	/nfs/dbraw/zinc/11/06/97/804110697.db2.gz	NJTNYMBLUFBINX-RQJHMYQMSA-N	-1	0	253.707	0.522	20	30		CCEDRM
C#CC[C@@H]1CCCN(S(=O)(=O)[C@H]2CC[C@H]2C(=O)[O-])C1	ZINC001465113020	804127868	/nfs/dbraw/zinc/12/78/68/804127868.db2.gz	QVNGQLPERCZSHS-UTUOFQBUSA-N	-1	0	285.365	0.915	20	30		CCEDRM
C=CCC[C@H](NC(=O)N[C@@H]1CCC[N@@H+](C)C1)C(=O)[O-]	ZINC000316551668	804708727	/nfs/dbraw/zinc/70/87/27/804708727.db2.gz	YKTZJWOBFYKPJJ-MNOVXSKESA-N	-1	0	269.345	0.799	20	30		CCEDRM
C=CCOC[C@@H](CS(=O)(=O)[O-])OCC(C)(C)OC	ZINC001222364813	804894919	/nfs/dbraw/zinc/89/49/19/804894919.db2.gz	XMEDXGAYFAXHFG-JTQLQIEISA-N	-1	0	282.358	0.887	20	30		CCEDRM
C=CCOCCN1CC[C@@H]1CNC(=O)c1[nH]nc(C)c1[O-]	ZINC001276836507	804933271	/nfs/dbraw/zinc/93/32/71/804933271.db2.gz	WWFNUNVOGUEIOU-LLVKDONJSA-N	-1	0	294.355	0.430	20	30		CCEDRM
CN(C)C(=O)[C@]12C[C@H]1CCN2C(=O)c1ccc(C#N)cc1[O-]	ZINC001276864834	804954807	/nfs/dbraw/zinc/95/48/07/804954807.db2.gz	KOHAUDNPXAGGCO-BZNIZROVSA-N	-1	0	299.330	0.957	20	30		CCEDRM
C=CCOC[C@H](CS(=O)(=O)[O-])OCc1cn(C)cn1	ZINC001223553350	804978819	/nfs/dbraw/zinc/97/88/19/804978819.db2.gz	ULDKGECECFMMAJ-LLVKDONJSA-N	-1	0	290.341	0.396	20	30		CCEDRM
N#CCN1CC[C@H](Oc2nc(Cl)cc(=O)[n-]2)C1	ZINC001225562192	805140651	/nfs/dbraw/zinc/14/06/51/805140651.db2.gz	FRIOWMFLZIPZRB-ZETCQYMHSA-N	-1	0	254.677	0.812	20	30		CCEDRM
CCOC(=O)c1c[nH]c(=O)nc1OC1CN(CCC#N)C1	ZINC001225901827	805174009	/nfs/dbraw/zinc/17/40/09/805174009.db2.gz	VJTXEORJRICEGC-UHFFFAOYSA-N	-1	0	292.295	0.336	20	30		CCEDRM
C=C[C@@H]1O[C@@H](Oc2nncc(=O)[n-]2)[C@H]2OC(C)(C)O[C@@H]12	ZINC001226171048	805200888	/nfs/dbraw/zinc/20/08/88/805200888.db2.gz	WTCGTDUKQWAQET-LKEDHPFLSA-N	-1	0	281.268	0.387	20	30		CCEDRM
CC[C@@H](C#CC(=O)OC)Oc1nc(C)[n-]c(=O)c1F	ZINC001226422840	805227466	/nfs/dbraw/zinc/22/74/66/805227466.db2.gz	ACAGVTCVPVYOHK-QMMMGPOBSA-N	-1	0	268.244	0.964	20	30		CCEDRM
C=CCOC[C@H](CS(=O)(=O)[O-])Oc1cc[nH]n1	ZINC001226424895	805228776	/nfs/dbraw/zinc/22/87/76/805228776.db2.gz	RHJYCXFBRZHKGS-MRVPVSSYSA-N	-1	0	262.287	0.248	20	30		CCEDRM
C#C[C@H](C)Oc1nc(=O)[n-]c(C(=O)OC)c1[N+](=O)[O-]	ZINC001226652606	805261523	/nfs/dbraw/zinc/26/15/23/805261523.db2.gz	MSEMANOOJSUKFY-YFKPBYRVSA-N	-1	0	267.197	0.278	20	30		CCEDRM
Cc1cc(OC(=O)[C@H](O)CC(=O)[O-])cc(C)c1C#N	ZINC001226830858	805287359	/nfs/dbraw/zinc/28/73/59/805287359.db2.gz	DHECOYMSEPSIST-LLVKDONJSA-N	-1	0	263.249	0.916	20	30		CCEDRM
Cc1n[nH]c(C(=O)N[C@@H](C)CCCNCC#N)c1[O-]	ZINC001277162665	805290441	/nfs/dbraw/zinc/29/04/41/805290441.db2.gz	GMHPOFGKVOPPGZ-QMMMGPOBSA-N	-1	0	265.317	0.435	20	30		CCEDRM
C=CCOC[C@@H](CS(=O)(=O)[O-])Oc1cnc(C)nc1	ZINC001226958833	805299800	/nfs/dbraw/zinc/29/98/00/805299800.db2.gz	DJQLQBRNIGSRHB-NSHDSACASA-N	-1	0	288.325	0.623	20	30		CCEDRM
N#Cc1ccc(OC(=O)[C@H](O)CC(=O)[O-])c([N+](=O)[O-])c1	ZINC001227292995	805339882	/nfs/dbraw/zinc/33/98/82/805339882.db2.gz	ZRWQXJVNTGHLMC-MRVPVSSYSA-N	-1	0	280.192	0.207	20	30		CCEDRM
COC(=O)c1nnc(OC2=C(C)O[C@H](C)C2=O)[n-]1	ZINC001228311195	805434518	/nfs/dbraw/zinc/43/45/18/805434518.db2.gz	KFMDGKIJZYSDCM-SCSAIBSYSA-N	-1	0	253.214	0.189	20	30		CCEDRM
COC(=O)C[C@H](Oc1[n-]c(=O)ccc1C#N)C(=O)OC	ZINC001228898541	805488395	/nfs/dbraw/zinc/48/83/95/805488395.db2.gz	JKZFVELBCNYYAI-QMMMGPOBSA-N	-1	0	280.236	0.142	20	30		CCEDRM
N#CCCN1CC(Oc2[nH]c(=O)[n-]c(=O)c2F)C1	ZINC001229123281	805505113	/nfs/dbraw/zinc/50/51/13/805505113.db2.gz	BUWADCHCTYPBII-UHFFFAOYSA-N	-1	0	254.221	0.004	20	30		CCEDRM
C=CCOC[C@H](CS(=O)(=O)[O-])Oc1c[nH]ccc1=O	ZINC001229511042	805539465	/nfs/dbraw/zinc/53/94/65/805539465.db2.gz	YJTWNHOWLROFAB-SECBINFHSA-N	-1	0	289.309	0.213	20	30		CCEDRM
N#CC1([N-]S(=O)(=O)C(F)(F)F)CCOCC1	ZINC001252395871	807818890	/nfs/dbraw/zinc/81/88/90/807818890.db2.gz	KURLXUGQCQWZEH-UHFFFAOYSA-N	-1	0	258.221	0.498	20	30		CCEDRM
Cc1nnc([S-])n(N=C[C@@H](C#N)C(C)C)c1=O	ZINC001253448518	808067503	/nfs/dbraw/zinc/06/75/03/808067503.db2.gz	FRYZWWTUNTWCDJ-MRVPVSSYSA-N	-1	0	251.315	0.865	20	30		CCEDRM
Cc1noc(C)c1S(=O)(=O)[N-]c1nnccc1C#N	ZINC001258531830	808693502	/nfs/dbraw/zinc/69/35/02/808693502.db2.gz	YLIWGDZDBHHJRO-UHFFFAOYSA-N	-1	0	279.281	0.754	20	30		CCEDRM
COC(=O)CS(=O)(=O)[N-]c1c(C)cc(C#N)cc1C#N	ZINC001259025037	808722727	/nfs/dbraw/zinc/72/27/27/808722727.db2.gz	NSPUZFYMDKLPGJ-UHFFFAOYSA-N	-1	0	293.304	0.653	20	30		CCEDRM
CC(C)n1ncc(C#N)c1[N-]S(=O)(=O)c1cnn(C)c1	ZINC001259821435	808777505	/nfs/dbraw/zinc/77/75/05/808777505.db2.gz	YTRBVHUIKIFQOO-UHFFFAOYSA-N	-1	0	294.340	0.870	20	30		CCEDRM
C=CCS(=O)(=O)[N-]c1nnccc1C(=O)OC	ZINC001259923563	808805140	/nfs/dbraw/zinc/80/51/40/808805140.db2.gz	QIFISRBTWAKYOF-UHFFFAOYSA-N	-1	0	257.271	0.191	20	30		CCEDRM
N#CC1CC(NS(=O)(=O)c2ccc(O)c(C(=O)[O-])c2)C1	ZINC001260405435	808861152	/nfs/dbraw/zinc/86/11/52/808861152.db2.gz	ZBZLLNGKGRPCRQ-UHFFFAOYSA-N	-1	0	296.304	0.671	20	30		CCEDRM
Cc1nc(S(=O)(=O)[N-]c2ncn(C)c2C#N)cn1C	ZINC001260542364	808862632	/nfs/dbraw/zinc/86/26/32/808862632.db2.gz	CHVZHOAZJDNRIF-UHFFFAOYSA-N	-1	0	280.313	0.135	20	30		CCEDRM
C=CCO[C@H]1CCN(C(=O)NCC(=O)[N-]OCC)C1	ZINC001261510627	809003661	/nfs/dbraw/zinc/00/36/61/809003661.db2.gz	FMTFAXWSFIPHNK-JTQLQIEISA-N	-1	0	271.317	0.041	20	30		CCEDRM
C=CC[C@H](NC(=O)C[C@H](C)n1ccnc1)C(=O)[O-]	ZINC001261514894	809005700	/nfs/dbraw/zinc/00/57/00/809005700.db2.gz	QSIWGICVRXYQMM-UWVGGRQHSA-N	-1	0	251.286	0.980	20	30		CCEDRM
C=CC[C@@H](NC(=O)c1cn(C)nc1COC)C(=O)[O-]	ZINC001262177014	809222976	/nfs/dbraw/zinc/22/29/76/809222976.db2.gz	HWTMIWHIPNXYHP-SECBINFHSA-N	-1	0	267.285	0.326	20	30		CCEDRM
CCC1(CNc2[n-]c(=O)n(C)c(=O)c2C#N)CCC1	ZINC001262686252	809395302	/nfs/dbraw/zinc/39/53/02/809395302.db2.gz	DHKASOXWGZEOTQ-UHFFFAOYSA-N	-1	0	262.313	0.937	20	30		CCEDRM
C=C(C)Cn1c(-c2nn[nH]n2)nnc1N(CC)CC	ZINC001263287815	809503138	/nfs/dbraw/zinc/50/31/38/809503138.db2.gz	UWCGZGAARWELOC-UHFFFAOYSA-N	-1	0	262.321	0.881	20	30		CCEDRM
C=C[C@](C)(CCOC)C(=O)N1CC[C@@H](c2nnn[n-]2)C1	ZINC001263886446	809599524	/nfs/dbraw/zinc/59/95/24/809599524.db2.gz	KCZTYTCQSJKPND-ZWNOBZJWSA-N	-1	0	279.344	0.744	20	30		CCEDRM
CC(C)C#CC(=O)N[C@H]1CCCN(Cc2n[nH]c(=O)[n-]2)C1	ZINC001267624444	811582977	/nfs/dbraw/zinc/58/29/77/811582977.db2.gz	DNIXZWBQWKJFRP-NSHDSACASA-N	-1	0	291.355	0.250	20	30		CCEDRM
C=CCOC[C@H](CS(=O)(=O)[O-])Oc1ccsn1	ZINC001227732309	814447473	/nfs/dbraw/zinc/44/74/73/814447473.db2.gz	UKFHSYSIHGCPEM-MRVPVSSYSA-N	-1	0	279.339	0.981	20	30		CCEDRM
CS(=O)(=O)[N-]c1ccccc1C(=O)NCCC#N	ZINC000342908678	814848237	/nfs/dbraw/zinc/84/82/37/814848237.db2.gz	APHGRKXRWGWYAY-UHFFFAOYSA-N	-1	0	267.310	0.702	20	30		CCEDRM
C=C(C)C(=O)OC[C@@H](C)Oc1[nH]c(=O)[n-]c(=O)c1F	ZINC001229119368	814919004	/nfs/dbraw/zinc/91/90/04/814919004.db2.gz	JNRVOHIQKCEWJL-ZCFIWIBFSA-N	-1	0	272.232	0.914	20	30		CCEDRM
C[C@@H]1C[C@H](Nc2[n-]c(=O)n(C)c(=O)c2C#N)CS1	ZINC001120857106	816244437	/nfs/dbraw/zinc/24/44/37/816244437.db2.gz	QSHCTOLDAYIYHK-RQJHMYQMSA-N	-1	0	266.326	0.251	20	30		CCEDRM
C=C1CCC(C(=O)NC2CN(Cc3n[nH]c(=O)[n-]3)C2)CC1	ZINC001030900640	816408700	/nfs/dbraw/zinc/40/87/00/816408700.db2.gz	VKJZFYVRXMVOQT-UHFFFAOYSA-N	-1	0	291.355	0.557	20	30		CCEDRM
CNC(=O)C(C#N)=C([O-])c1ccc(C)c([N+](=O)[O-])c1	ZINC000133244078	818231915	/nfs/dbraw/zinc/23/19/15/818231915.db2.gz	IXGCGAXZJNIBME-SECBINFHSA-N	-1	0	261.237	0.972	20	30		CCEDRM
CN(C(=O)c1ncccc1O)[C@H]1CCN(CC#N)C1	ZINC001033024236	818435764	/nfs/dbraw/zinc/43/57/64/818435764.db2.gz	BOVXQRHOQMEDIN-JTQLQIEISA-N	-1	0	260.297	0.457	20	30		CCEDRM
C#CCO[N-]C(=O)Cn1cc(Br)ccc1=O	ZINC000700613068	818821150	/nfs/dbraw/zinc/82/11/50/818821150.db2.gz	LKJXXBSMCOVBJH-UHFFFAOYSA-N	-1	0	285.097	0.292	20	30		CCEDRM
C#CCCCNC(=O)N1C[C@H](OC)C[C@]1(C)C(=O)[O-]	ZINC000702732153	819169679	/nfs/dbraw/zinc/16/96/79/819169679.db2.gz	PASSRVWYQCTIFU-ZWNOBZJWSA-N	-1	0	268.313	0.673	20	30		CCEDRM
C=CCCS(=O)(=O)N1CC[C@H]2[C@@H](C(=O)[O-])[C@H]2C1	ZINC000710597220	819855933	/nfs/dbraw/zinc/85/59/33/819855933.db2.gz	XLZGJSGJUQLODS-KXUCPTDWSA-N	-1	0	259.327	0.545	20	30		CCEDRM
O=C([O-])COc1ccc(OCC(=O)NCCCS)cc1	ZINC001183911060	844119017	/nfs/dbraw/zinc/11/90/17/844119017.db2.gz	DLABGDOFCKTHHR-UHFFFAOYSA-N	-1	0	299.348	0.965	20	30		CCEDRM
Cc1[nH]nc(C(=O)N2CC[C@H](CNCC#N)[C@@H](C)C2)c1[O-]	ZINC001184200346	844176837	/nfs/dbraw/zinc/17/68/37/844176837.db2.gz	UIWRIRUKFNZIGH-GXSJLCMTSA-N	-1	0	291.355	0.635	20	30		CCEDRM
NC(=O)c1nccnc1NC(=O)CCC(=O)C1=CC=C[CH]1	ZINC001184241429	844186282	/nfs/dbraw/zinc/18/62/82/844186282.db2.gz	TUZRDPNHDOCBBV-UHFFFAOYSA-N	-1	0	285.283	0.564	20	30		CCEDRM
N#Cc1ccc(NC(=O)N[C@@H]2SC(=O)[N-]C2=O)cc1	ZINC001184763134	844284444	/nfs/dbraw/zinc/28/44/44/844284444.db2.gz	SFBLCQLEJPZABN-SECBINFHSA-N	-1	0	276.277	0.989	20	30		CCEDRM
C[C@@H](CC#N)NC(=O)[C@H]1CC[C@@H](CCC(=O)[O-])O1	ZINC001592221588	977401605	/nfs/dbraw/zinc/40/16/05/977401605.db2.gz	LAUGTBMRJSLNJA-LPEHRKFASA-N	-1	0	254.286	0.817	20	30		CCEDRM
CSc1ncc([O-])c(C(=O)N2CCOC[C@@H]2C#N)n1	ZINC001185176338	844354257	/nfs/dbraw/zinc/35/42/57/844354257.db2.gz	IQKIFQKGPMRCNG-ZETCQYMHSA-N	-1	0	280.309	0.269	20	30		CCEDRM
CSc1ncc([O-])c(C(=O)N(C)[C@@H](C)C#N)n1	ZINC001185176891	844355057	/nfs/dbraw/zinc/35/50/57/844355057.db2.gz	ORTWXJQDYZHHSV-LURJTMIESA-N	-1	0	252.299	0.888	20	30		CCEDRM
N#CCNCCCNC(=O)c1ccc2oc(=O)nc-2[n-]1	ZINC001171072150	839822230	/nfs/dbraw/zinc/82/22/30/839822230.db2.gz	RMOUCIXHZRPZGN-UHFFFAOYSA-N	-1	0	275.268	0.161	20	30		CCEDRM
Cc1cc(C#N)c(=O)[n-]c1C(=O)NCCCn1cncn1	ZINC001144077258	839930284	/nfs/dbraw/zinc/93/02/84/839930284.db2.gz	QGWZYIOAPKNIIM-UHFFFAOYSA-N	-1	0	286.295	0.379	20	30		CCEDRM
C[C@@H](Cc1cccc(C#N)c1)NCS(=O)(=O)[O-]	ZINC001171183265	840051597	/nfs/dbraw/zinc/05/15/97/840051597.db2.gz	CBADCVZSSOCJBR-VIFPVBQESA-N	-1	0	254.311	0.924	20	30		CCEDRM
Cc1ncc(CO)c(C(=O)Nc2c[nH]nc2C#N)c1[O-]	ZINC001147834331	840694527	/nfs/dbraw/zinc/69/45/27/840694527.db2.gz	PCMDUGHIPTVAQN-UHFFFAOYSA-N	-1	0	273.252	0.435	20	30		CCEDRM
N#Cc1c(N)nn(-c2cc(C(=O)[O-])cc([N+](=O)[O-])c2)c1N	ZINC001176673147	842397801	/nfs/dbraw/zinc/39/78/01/842397801.db2.gz	TVKHQJKQDYFEJM-UHFFFAOYSA-N	-1	0	288.223	0.515	20	30		CCEDRM
N#Cc1cc(CC(=O)n2[n-]c3ccnc(=O)c-3c2N)ccn1	ZINC001177675467	842649893	/nfs/dbraw/zinc/64/98/93/842649893.db2.gz	ZIKVVRAKUIOCIX-UHFFFAOYSA-N	-1	0	294.274	0.408	20	30		CCEDRM
N#C[C@H]1CN(C(=O)C(F)(F)C(F)(F)C(=O)[O-])CCO1	ZINC001180175427	843110252	/nfs/dbraw/zinc/11/02/52/843110252.db2.gz	ZLKKOBNERCTLLC-YFKPBYRVSA-N	-1	0	284.165	0.093	20	30		CCEDRM
CN1N=C(C(=O)Nc2cc(C#N)c(F)cc2[O-])CCC1=O	ZINC001180441911	843168282	/nfs/dbraw/zinc/16/82/82/843168282.db2.gz	FOFWBWGLXZFLBS-UHFFFAOYSA-N	-1	0	290.254	0.950	20	30		CCEDRM
N=C(c1ccccc1N)N(O)C(=O)CCC1OCCO1	ZINC001182732328	843908139	/nfs/dbraw/zinc/90/81/39/843908139.db2.gz	ZUDNACSGTHUSCU-UHFFFAOYSA-N	-1	0	279.296	0.965	20	30		CCEDRM
N#CN=C(NC([O-])=C(CO)C(F)(F)F)c1ccncc1	ZINC001183287896	844005553	/nfs/dbraw/zinc/00/55/53/844005553.db2.gz	LNJVXRQCARDOEY-QMMMGPOBSA-N	-1	0	286.213	0.596	20	30		CCEDRM
Cc1nsc([N-]S(=O)(=O)c2c[nH]cn2)c1C#N	ZINC001187723954	844750063	/nfs/dbraw/zinc/75/00/63/844750063.db2.gz	HJQZTYYEHMPQEA-UHFFFAOYSA-N	-1	0	269.311	0.847	20	30		CCEDRM
C#Cc1cccnc1[N-]S(=O)(=O)CCC(=O)OC	ZINC001188350285	844879962	/nfs/dbraw/zinc/87/99/62/844879962.db2.gz	MHBOCVZJJWLKFU-UHFFFAOYSA-N	-1	0	268.294	0.368	20	30		CCEDRM
COC(=O)CCS(=O)(=O)[N-]c1oc(C)nc1C#N	ZINC001188355209	844881511	/nfs/dbraw/zinc/88/15/11/844881511.db2.gz	FNNVFIVXEMWPHV-UHFFFAOYSA-N	-1	0	273.270	0.160	20	30		CCEDRM
COc1ccc(C(=NO)NC(=O)c2ccncc2[O-])nc1	ZINC001188638404	844943337	/nfs/dbraw/zinc/94/33/37/844943337.db2.gz	NHZOSVJWGHOUPZ-UHFFFAOYSA-N	-1	0	288.263	0.757	20	30		CCEDRM
C#C[C@H](C)NC(=O)c1ccccc1S(=O)(=O)[O-]	ZINC001189703959	845194939	/nfs/dbraw/zinc/19/49/39/845194939.db2.gz	QHRVLGWZWKUWTG-QMMMGPOBSA-N	-1	0	253.279	0.685	20	30		CCEDRM
CC[C@H](NS(=O)(=O)c1cc(C#N)ccc1F)C(N)=O	ZINC001190608052	845443736	/nfs/dbraw/zinc/44/37/36/845443736.db2.gz	IWEIMYOQROOQTO-VIFPVBQESA-N	-1	0	285.300	0.240	20	30		CCEDRM
Cc1nc(C#N)cnc1[N-]S(=O)(=O)c1ncc[nH]1	ZINC001190691018	845468057	/nfs/dbraw/zinc/46/80/57/845468057.db2.gz	UHARFXMNXJNQCE-UHFFFAOYSA-N	-1	0	264.270	0.181	20	30		CCEDRM
N#Cc1ncc(F)cc1[N-]S(=O)(=O)c1ncc[nH]1	ZINC001190694099	845470327	/nfs/dbraw/zinc/47/03/27/845470327.db2.gz	GZWMNXLCQPNSIN-UHFFFAOYSA-N	-1	0	267.245	0.616	20	30		CCEDRM
N#Cc1ccc(OCCNS(=O)(=O)c2ncc[n-]2)cc1	ZINC001190754974	845471813	/nfs/dbraw/zinc/47/18/13/845471813.db2.gz	HHULXZUWWCWOAD-UHFFFAOYSA-N	-1	0	292.320	0.639	20	30		CCEDRM
C#Cc1ccccc1C(=O)n1[n-]c2ccnc(=O)c-2c1N	ZINC001191129058	845591231	/nfs/dbraw/zinc/59/12/31/845591231.db2.gz	VJPIXJRNHRTSFI-UHFFFAOYSA-N	-1	0	278.271	0.928	20	30		CCEDRM
N#Cc1cc(F)c(C(=O)N[C@@H]2SC(=O)[N-]C2=O)c(F)c1	ZINC001191935978	845756862	/nfs/dbraw/zinc/75/68/62/845756862.db2.gz	KDXHGLOAPQIUKS-SNVBAGLBSA-N	-1	0	297.242	0.875	20	30		CCEDRM
Cc1ncc(C(=O)NCC(=O)CCC(=O)[O-])cc1C#N	ZINC001192300990	845813288	/nfs/dbraw/zinc/81/32/88/845813288.db2.gz	BKICZNNDUZLAFM-UHFFFAOYSA-N	-1	0	275.264	0.425	20	30		CCEDRM
N#Cc1c(N)nn(C(=O)c2cc([O-])cc(F)c2F)c1N	ZINC001192651823	845886210	/nfs/dbraw/zinc/88/62/10/845886210.db2.gz	OJAKIUPAJNQGFW-UHFFFAOYSA-N	-1	0	279.206	0.591	20	30		CCEDRM
COc1cc(OC)c([N-]S(=O)(=O)CC#N)cn1	ZINC001192950651	845933095	/nfs/dbraw/zinc/93/30/95/845933095.db2.gz	ARYFQZNKGLWGOS-UHFFFAOYSA-N	-1	0	257.271	0.364	20	30		CCEDRM
N#CCS(=O)(=O)[N-]CC(F)(F)C(F)(F)F	ZINC001192987930	845946769	/nfs/dbraw/zinc/94/67/69/845946769.db2.gz	LYEWOQRBVJOHKD-UHFFFAOYSA-N	-1	0	252.164	0.627	20	30		CCEDRM
C[C@@H](C#N)S(=O)(=O)[N-]c1cnc2c(c1)CN(C)CC2	ZINC001193104975	845978620	/nfs/dbraw/zinc/97/86/20/845978620.db2.gz	PGNVHLYUJJCJKI-VIFPVBQESA-N	-1	0	280.353	0.723	20	30		CCEDRM
Cc1nnc2cc([N-]S(=O)(=O)[C@@H](C)C#N)ccn12	ZINC001193106004	845979992	/nfs/dbraw/zinc/97/99/92/845979992.db2.gz	ANCBSWIIRQOXCM-ZETCQYMHSA-N	-1	0	265.298	0.692	20	30		CCEDRM
Cc1cc([N-]S(=O)(=O)[C@@H](C)C#N)cnc1C#N	ZINC001193111568	845980808	/nfs/dbraw/zinc/98/08/08/845980808.db2.gz	IYLGLOBRXFMPSI-QMMMGPOBSA-N	-1	0	250.283	0.915	20	30		CCEDRM
C[C@H](C#N)S(=O)(=O)[N-]c1cnn2c1OCC1(CC1)C2	ZINC001193113059	845982722	/nfs/dbraw/zinc/98/27/22/845982722.db2.gz	YNUSVKSIVUJWSL-MRVPVSSYSA-N	-1	0	282.325	0.709	20	30		CCEDRM
N#Cc1ccnnc1[N-]S(=O)(=O)C[C@@H]1CCCO1	ZINC001193214257	846021757	/nfs/dbraw/zinc/02/17/57/846021757.db2.gz	VXPJLNJUDHSXDV-VIFPVBQESA-N	-1	0	268.298	0.269	20	30		CCEDRM
COc1ccc(C#N)c(S(=O)(=O)[N-]c2cnn(C)n2)c1	ZINC001193644588	846135156	/nfs/dbraw/zinc/13/51/56/846135156.db2.gz	KCICCJIANYJRLW-UHFFFAOYSA-N	-1	0	293.308	0.496	20	30		CCEDRM
Cc1nnc(CNC(=O)c2cccc(C#N)c2[O-])[nH]1	ZINC001193659803	846140024	/nfs/dbraw/zinc/14/00/24/846140024.db2.gz	QSQDOQOZYRUJQR-UHFFFAOYSA-N	-1	0	257.253	0.620	20	30		CCEDRM
N#Cc1ccc(C(=O)N2CCn3cnnc3C2)c([O-])c1	ZINC001195733612	846603836	/nfs/dbraw/zinc/60/38/36/846603836.db2.gz	TWCVFTIHSJBDBG-UHFFFAOYSA-N	-1	0	269.264	0.511	20	30		CCEDRM
CN(C(=O)c1ccc(C#N)cc1[O-])c1nccnc1N	ZINC001195733249	846604706	/nfs/dbraw/zinc/60/47/06/846604706.db2.gz	GQVLFGCQIBXAMA-UHFFFAOYSA-N	-1	0	269.264	0.913	20	30		CCEDRM
N#Cc1ccc(C(=O)Nc2c[nH]c(=O)nc2N)c([O-])c1	ZINC001195758816	846611880	/nfs/dbraw/zinc/61/18/80/846611880.db2.gz	UNKBCAAJRLCRSA-UHFFFAOYSA-N	-1	0	271.236	0.594	20	30		CCEDRM
Cn1ccc(CNC(=O)c2ccc(C#N)cc2[O-])cc1=O	ZINC001195763813	846612560	/nfs/dbraw/zinc/61/25/60/846612560.db2.gz	CWKJFYDYPWPRHH-UHFFFAOYSA-N	-1	0	283.287	0.893	20	30		CCEDRM
CN1CCOC[C@@H]1CNC(=O)c1ccc(C#N)cc1[O-]	ZINC001195764315	846613049	/nfs/dbraw/zinc/61/30/49/846613049.db2.gz	JHXKUALUJLANSI-NSHDSACASA-N	-1	0	275.308	0.324	20	30		CCEDRM
C[C@@H]1COCCN1CCNC(=O)c1ccc(C#N)cc1[O-]	ZINC001195767877	846616014	/nfs/dbraw/zinc/61/60/14/846616014.db2.gz	BDDYLSRETUYYOE-LLVKDONJSA-N	-1	0	289.335	0.714	20	30		CCEDRM
N#Cc1c(N)nn(C(=O)c2cc(Cl)ncc2[O-])c1N	ZINC001196386994	846739981	/nfs/dbraw/zinc/73/99/81/846739981.db2.gz	GHROWFOOXIMNJI-UHFFFAOYSA-N	-1	0	278.659	0.362	20	30		CCEDRM
C=CS(=O)(=O)[N-]c1c(C#N)cnn1-c1ncccn1	ZINC001198569785	847128780	/nfs/dbraw/zinc/12/87/80/847128780.db2.gz	LUIRLGFQMDSMJZ-UHFFFAOYSA-N	-1	0	276.281	0.419	20	30		CCEDRM
N#Cc1cnc(C(=O)Nc2cc(=O)[n-]c(Cl)n2)cn1	ZINC001199664036	847388897	/nfs/dbraw/zinc/38/88/97/847388897.db2.gz	BKVYZTDZNAJWTJ-UHFFFAOYSA-N	-1	0	276.643	0.750	20	30		CCEDRM
N#Cc1ccc(C(=O)n2[n-]c3ccnc(=O)c-3c2N)[nH]1	ZINC001199684117	847400440	/nfs/dbraw/zinc/40/04/40/847400440.db2.gz	PQFJSTPJBNIDMA-UHFFFAOYSA-N	-1	0	268.236	0.147	20	30		CCEDRM
C=CCOC[C@H](CS(=O)(=O)[O-])OC[C@H](C)C(=O)OC	ZINC001205944941	847893787	/nfs/dbraw/zinc/89/37/87/847893787.db2.gz	KRHJIEXGWFQYHH-VHSXEESVSA-N	-1	0	296.341	0.271	20	30		CCEDRM
C=CCC1(O)CCN(C(=O)NCCOCC(=O)[O-])CC1	ZINC000717247592	848182496	/nfs/dbraw/zinc/18/24/96/848182496.db2.gz	RDPMFURZIIBNQC-UHFFFAOYSA-N	-1	0	286.328	0.200	20	30		CCEDRM
C=C[C@@H](CO)NS(=O)(=O)c1ccc(C)c(C(=O)[O-])c1	ZINC000717426480	848370967	/nfs/dbraw/zinc/37/09/67/848370967.db2.gz	JOCIVOFBHAHWGF-VIFPVBQESA-N	-1	0	285.321	0.518	20	30		CCEDRM
O=S(=O)([N-]CC#CCO)c1c(F)cc(F)cc1F	ZINC000717571720	848452207	/nfs/dbraw/zinc/45/22/07/848452207.db2.gz	XXGPQIRNVLEQTP-UHFFFAOYSA-N	-1	0	279.239	0.378	20	30		CCEDRM
NC(=O)[C@@]12C[C@@H]1CCN2C(=O)CCC(=O)C1=CC=C[CH]1	ZINC001274661851	848535117	/nfs/dbraw/zinc/53/51/17/848535117.db2.gz	QJPFDTZHJMAYOA-XHDPSFHLSA-N	-1	0	273.312	0.512	20	30		CCEDRM
C[C@H](CO)N(C)N=Cc1ccc(C(=O)[O-])c(O)c1	ZINC000901260605	851661743	/nfs/dbraw/zinc/66/17/43/851661743.db2.gz	USQDSOYDLFJKQB-MRVPVSSYSA-N	-1	0	252.270	0.737	20	30		CCEDRM
N#Cc1cccnc1N1CCC[C@H](NC(=O)c2cn[nH]n2)C1	ZINC001058268819	853807878	/nfs/dbraw/zinc/80/78/78/853807878.db2.gz	XMUNAOFCCIWYIC-NSHDSACASA-N	-1	0	297.322	0.470	20	30		CCEDRM
N#Cc1cnc(NCC2CC(NC(=O)c3cn[nH]n3)C2)cn1	ZINC001067901200	853864525	/nfs/dbraw/zinc/86/45/25/853864525.db2.gz	ZUMDYAQJSPHTMN-UHFFFAOYSA-N	-1	0	298.310	0.087	20	30		CCEDRM
C#CC[C@H](NC(=O)COc1ccccc1OC)C(=O)[O-]	ZINC000149704829	853995001	/nfs/dbraw/zinc/99/50/01/853995001.db2.gz	SJPWCKCBVIHYCB-JTQLQIEISA-N	-1	0	277.276	0.667	20	30		CCEDRM
C#CC[C@@H](NC(=O)[C@@H](C)NC(=O)C(C)(C)C)C(=O)[O-]	ZINC000149761026	853995900	/nfs/dbraw/zinc/99/59/00/853995900.db2.gz	UWLQHBXFSGKPKE-RKDXNWHRSA-N	-1	0	268.313	0.130	20	30		CCEDRM
C#CC[C@H](NC(=O)[C@@H]1Oc2ccccc2O[C@H]1C)C(=O)[O-]	ZINC000149962134	854009957	/nfs/dbraw/zinc/00/99/57/854009957.db2.gz	OCDHLCSGPKJLLC-OUJBWJOFSA-N	-1	0	289.287	0.808	20	30		CCEDRM
N#CCCCCS(=O)(=O)N[C@@H](C(=O)[O-])[C@@H]1CCOC1	ZINC001116684480	855813292	/nfs/dbraw/zinc/81/32/92/855813292.db2.gz	FDNDFAWKOHBDQX-NXEZZACHSA-N	-1	0	290.341	0.089	20	30		CCEDRM
C=CC[C@@H](NC(=O)NCC(C)(C)N1CCOCC1)C(=O)[O-]	ZINC001119576534	856748821	/nfs/dbraw/zinc/74/88/21/856748821.db2.gz	BFCAQSRHPAOMOA-LLVKDONJSA-N	-1	0	299.371	0.426	20	30		CCEDRM
C=CC[C@H](CC)NC(=O)C(=O)[N-]OC[C@H]1CCOC1	ZINC001324711129	912988655	/nfs/dbraw/zinc/98/86/55/912988655.db2.gz	QCJATRKTBSAZMR-QWRGUYRKSA-N	-1	0	270.329	0.542	20	30		CCEDRM
C=CCn1cc(CNCc2cn(C)nc2C(=O)[O-])nn1	ZINC001353898929	892517708	/nfs/dbraw/zinc/51/77/08/892517708.db2.gz	BNBCQLBHUHMSLZ-UHFFFAOYSA-N	-1	0	276.300	0.186	20	30		CCEDRM
CCn1nncc1C([O-])=C(C#N)C(=O)c1nccn1C	ZINC001342610319	892774279	/nfs/dbraw/zinc/77/42/79/892774279.db2.gz	KGGZQUKLPWFIMP-QMMMGPOBSA-N	-1	0	272.268	0.237	20	30		CCEDRM
Cc1cc(C#N)c(=O)[n-]c1C(=O)N1CCC[C@H](C(N)=O)C1	ZINC001417597045	892830354	/nfs/dbraw/zinc/83/03/54/892830354.db2.gz	AULUWUVXQOLQRY-VIFPVBQESA-N	-1	0	288.307	0.305	20	30		CCEDRM
CC(C)NC(=S)NN=Cc1c[nH]c(C(=O)[O-])c1	ZINC001326227893	913834706	/nfs/dbraw/zinc/83/47/06/913834706.db2.gz	RBNPWABAQXWBOD-UHFFFAOYSA-N	-1	0	254.315	0.919	20	30		CCEDRM
CC(C)CCOC(=O)NCCn1cc(C#N)c(=O)[n-]c1=O	ZINC001414304258	894167615	/nfs/dbraw/zinc/16/76/15/894167615.db2.gz	ACPCXDJEHKYJBQ-UHFFFAOYSA-N	-1	0	294.311	0.593	20	30		CCEDRM
COC(=O)c1ccoc1S(=O)(=O)[N-][C@H](C)CC#N	ZINC001365034615	895847572	/nfs/dbraw/zinc/84/75/72/895847572.db2.gz	YFUDNLCQVHUPHK-SSDOTTSWSA-N	-1	0	272.282	0.647	20	30		CCEDRM
C=CC[C@H](NC(=O)c1c([N+](=O)[O-])c(C)nn1C)C(=O)[O-]	ZINC001327012375	914311526	/nfs/dbraw/zinc/31/15/26/914311526.db2.gz	AYHYNNWWIIUIRV-ZETCQYMHSA-N	-1	0	282.256	0.396	20	30		CCEDRM
CCN(CC)S(=O)(=O)[N-]C(=O)CCCCC#N	ZINC001327100894	914371666	/nfs/dbraw/zinc/37/16/66/914371666.db2.gz	YYNWXPLMBBTREJ-UHFFFAOYSA-N	-1	0	261.347	0.773	20	30		CCEDRM
C[C@@H](C#N)S(=O)(=O)[N-]c1ccc(Cl)nc1C(N)=O	ZINC001193106777	900031722	/nfs/dbraw/zinc/03/17/22/900031722.db2.gz	XNTFXAGANWUWFD-YFKPBYRVSA-N	-1	0	288.716	0.488	20	30		CCEDRM
C=CCOC[C@@H](CS(=O)(=O)[O-])OCC(C)(C)CO	ZINC001205795876	900059430	/nfs/dbraw/zinc/05/94/30/900059430.db2.gz	QXSNYRFZHNFRHU-JTQLQIEISA-N	-1	0	282.358	0.481	20	30		CCEDRM
C[C@H](C(=O)Nc1nc(C#N)c(C#N)[n-]1)[C@@H]1CCC(=O)N1	ZINC001412291676	901625049	/nfs/dbraw/zinc/62/50/49/901625049.db2.gz	KUZLCIPAISXGLQ-BQBZGAKWSA-N	-1	0	272.268	0.006	20	30		CCEDRM
CC(C)c1nnc(CCC(=O)N[C@@H]2CCCN(O)C2=O)o1	ZINC001327591277	914641109	/nfs/dbraw/zinc/64/11/09/914641109.db2.gz	XAJVTEMTXHRCTA-SECBINFHSA-N	-1	0	296.327	0.622	20	30		CCEDRM
C[C@H]1CC[C@@H](C(=O)NCCn2cc(C#N)c(=O)[n-]c2=O)C1	ZINC001413311946	902861784	/nfs/dbraw/zinc/86/17/84/902861784.db2.gz	RJLRAABGLBVQGT-VHSXEESVSA-N	-1	0	290.323	0.373	20	30		CCEDRM
C[C@H]1OCC[C@H]1Sc1[n-]c(=O)n(C)c(=O)c1C#N	ZINC001337091579	921183822	/nfs/dbraw/zinc/18/38/22/921183822.db2.gz	DSJWCSATGJFQPB-HTRCEHHLSA-N	-1	0	267.310	0.215	20	30		CCEDRM
C[C@@H]1CC(C)(C)CN1c1[n-]c(=O)n(C)c(=O)c1C#N	ZINC001337188933	921212675	/nfs/dbraw/zinc/21/26/75/921212675.db2.gz	AYGYLDUJNZPTLT-MRVPVSSYSA-N	-1	0	262.313	0.570	20	30		CCEDRM
CCN(CCOCCO)C(=O)c1[n-]c(=O)c(C#N)cc1C	ZINC001296880825	906970334	/nfs/dbraw/zinc/97/03/34/906970334.db2.gz	HYJQCAGFAASEEX-UHFFFAOYSA-N	-1	0	293.323	0.438	20	30		CCEDRM
C=C[C@@H]1OCC[C@H]1NC(=O)c1c(C)[nH]c(=O)[nH]c1=S	ZINC001298047273	907147339	/nfs/dbraw/zinc/14/73/39/907147339.db2.gz	KWIWUNPKIHSCIF-SFYZADRCSA-N	-1	0	281.337	0.853	20	30		CCEDRM
N#CCCCCC(=O)N1CCOC[C@@H]1c1nnn[n-]1	ZINC001302137433	908007102	/nfs/dbraw/zinc/00/71/02/908007102.db2.gz	OWSLUFCXUVFUSD-SECBINFHSA-N	-1	0	264.289	0.184	20	30		CCEDRM
C=CC[C@@H]1CCN1C(=O)CNC(=O)c1ncccc1O	ZINC001304672438	908179500	/nfs/dbraw/zinc/17/95/00/908179500.db2.gz	UQINVUFIKYUVRB-SNVBAGLBSA-N	-1	0	275.308	0.694	20	30		CCEDRM
C=C[C@@H](C)O[N-]C(=O)CNC(=O)c1ccc(O)cc1	ZINC001306869015	908270654	/nfs/dbraw/zinc/27/06/54/908270654.db2.gz	RKVBLNWVMPGVOJ-SECBINFHSA-N	-1	0	264.281	0.744	20	30		CCEDRM
Cn1c(=O)[n-]c(NCCCNc2ccccc2)c(C#N)c1=O	ZINC001306954147	908279747	/nfs/dbraw/zinc/27/97/47/908279747.db2.gz	XIHKXMBQOFPHCN-UHFFFAOYSA-N	-1	0	299.334	0.859	20	30		CCEDRM
CN(Cc1nc(=O)o[n-]1)c1cccc(C#N)c1[N+](=O)[O-]	ZINC001307151841	908289375	/nfs/dbraw/zinc/28/93/75/908289375.db2.gz	YUCXMEZHYDVDJM-UHFFFAOYSA-N	-1	0	275.224	0.779	20	30		CCEDRM
C=C(C)C[C@@H](NC(=O)CS(=O)(=O)C1CC1)C(=O)[O-]	ZINC001588542689	983609127	/nfs/dbraw/zinc/60/91/27/983609127.db2.gz	OFCSRPFADKOGLG-SECBINFHSA-N	-1	0	275.326	0.099	20	30		CCEDRM
C=CCn1c(Cc2nn[nH]n2)nnc1N1CC=C(C)CC1	ZINC001338803888	921579530	/nfs/dbraw/zinc/57/95/30/921579530.db2.gz	ZTZQFDMNRROOGV-UHFFFAOYSA-N	-1	0	286.343	0.724	20	30		CCEDRM
N#CCn1cc(NC(=O)C(=O)[N-]OC2CCCC2)cn1	ZINC001320609980	910763005	/nfs/dbraw/zinc/76/30/05/910763005.db2.gz	LHUFRVXDNBCXPJ-UHFFFAOYSA-N	-1	0	277.284	0.336	20	30		CCEDRM
O=C([O-])Cn1cc(C=CC(=O)c2cc[nH]c(=O)c2)nn1	ZINC001321003955	911006970	/nfs/dbraw/zinc/00/69/70/911006970.db2.gz	POJANUYMWFVVQX-OWOJBTEDSA-N	-1	0	274.236	0.359	20	30		CCEDRM
C=CCCOCC(=O)[N-]S(=O)(=O)c1ccc(C)nc1	ZINC001321047594	911046093	/nfs/dbraw/zinc/04/60/93/911046093.db2.gz	CSPQHBNDBMSYCZ-UHFFFAOYSA-N	-1	0	284.337	0.788	20	30		CCEDRM
N#CCCCS(=O)(=O)[N-]C(=O)C1=CCOCC1	ZINC001321263740	911196180	/nfs/dbraw/zinc/19/61/80/911196180.db2.gz	SXMFLZUUJLWQDW-UHFFFAOYSA-N	-1	0	258.299	0.083	20	30		CCEDRM
C=CC[C@@H](NC(=O)NCc1nnc2n1CCCC2)C(=O)[O-]	ZINC001321277040	911201487	/nfs/dbraw/zinc/20/14/87/911201487.db2.gz	MMZFMLZSTZSVDV-SECBINFHSA-N	-1	0	293.327	0.443	20	30		CCEDRM
C=CC[C@H](NS(=O)(=O)C[C@@H](C)OC)C(=O)OCC	ZINC001321679862	911443655	/nfs/dbraw/zinc/44/36/55/911443655.db2.gz	PRNAIPBZFPOQKE-ZJUUUORDSA-N	-1	0	279.358	0.449	20	30		CCEDRM
C=CC[C@H](NC(=O)NC[C@H](C)Cn1cccn1)C(=O)[O-]	ZINC001322515249	911841979	/nfs/dbraw/zinc/84/19/79/911841979.db2.gz	VWTKWQOSLNIULZ-QWRGUYRKSA-N	-1	0	280.328	0.848	20	30		CCEDRM
C=CC[C@@H](NC(=O)c1cccc(C(=O)NC)c1)C(=O)[O-]	ZINC001322602137	911877571	/nfs/dbraw/zinc/87/75/71/911877571.db2.gz	QMCHKWYDWBQWSI-LLVKDONJSA-N	-1	0	276.292	0.805	20	30		CCEDRM
C=CC[C@@H](NC(=O)[C@H]1CCc2cncn2C1)C(=O)[O-]	ZINC001339523084	921748901	/nfs/dbraw/zinc/74/89/01/921748901.db2.gz	GSJUCVFHEGZWTH-GXSJLCMTSA-N	-1	0	263.297	0.591	20	30		CCEDRM
C#CCCCCNC(=O)C(=O)[N-]OC1CCOCC1	ZINC001329046228	915622840	/nfs/dbraw/zinc/62/28/40/915622840.db2.gz	QMWDPVASCQWGGW-UHFFFAOYSA-N	-1	0	268.313	0.133	20	30		CCEDRM
C=CC[C@H](NC(=O)[C@@H](OCC)C1CCOCC1)C(=O)[O-]	ZINC001329288245	915793081	/nfs/dbraw/zinc/79/30/81/915793081.db2.gz	NSGJFJMFTUVFQW-RYUDHWBXSA-N	-1	0	285.340	0.964	20	30		CCEDRM
Cn1cc(Cl)c(C(=O)[N-]S(=O)(=O)CCCC#N)n1	ZINC001329392202	915873741	/nfs/dbraw/zinc/87/37/41/915873741.db2.gz	HLSQBNGRRSZYAB-UHFFFAOYSA-N	-1	0	290.732	0.437	20	30		CCEDRM
N#CC1(CC(=O)NCCCc2n[nH]c(=O)[n-]2)CCOCC1	ZINC001331121062	917103522	/nfs/dbraw/zinc/10/35/22/917103522.db2.gz	PRDQQKBMACBELB-UHFFFAOYSA-N	-1	0	293.327	0.270	20	30		CCEDRM
N#CC1(CNC(=O)c2c[n-]n3c2nccc3=O)CC1	ZINC001331391583	917301454	/nfs/dbraw/zinc/30/14/54/917301454.db2.gz	CYCHSXYPWOBQBL-UHFFFAOYSA-N	-1	0	257.253	0.056	20	30		CCEDRM
C=CC[C@H](NC(=O)C[C@H]1CCOC[C@@H]1OCC)C(=O)[O-]	ZINC001331818384	917636358	/nfs/dbraw/zinc/63/63/58/917636358.db2.gz	JBBBPTCPWFRLRA-WOPDTQHZSA-N	-1	0	285.340	0.964	20	30		CCEDRM
C=CCC[C@H](NC(=O)CCc1ccn(C)n1)C(=O)[O-]	ZINC001332134996	917893064	/nfs/dbraw/zinc/89/30/64/917893064.db2.gz	FJPGUSRNDDXPSK-NSHDSACASA-N	-1	0	265.313	0.888	20	30		CCEDRM
C=C(C)Cn1[n-]c(C)c([C@H]2CCS(=O)(=O)C2)c1=O	ZINC001332221430	917963276	/nfs/dbraw/zinc/96/32/76/917963276.db2.gz	GZOFIFJLRRQMEX-WDEREUQCSA-N	-1	0	270.354	0.832	20	30		CCEDRM
C=CC[C@@H](NC(=O)[C@@H]1CCc2nc[nH]c2C1)C(=O)[O-]	ZINC001332614527	918310669	/nfs/dbraw/zinc/31/06/69/918310669.db2.gz	YRMVOGIXRVBYJN-PSASIEDQSA-N	-1	0	263.297	0.660	20	30		CCEDRM
C=CC[C@H](NC(=O)N[C@H](C)[C@@H]1CN(C)CCO1)C(=O)[O-]	ZINC001334449590	919592964	/nfs/dbraw/zinc/59/29/64/919592964.db2.gz	UMHWYVLNVOHXND-VWYCJHECSA-N	-1	0	285.344	0.034	20	30		CCEDRM
C#CC[C@@H](NC(=O)[C@@H]1CCCc2nn(C)cc21)C(=O)[O-]	ZINC001334998365	919886729	/nfs/dbraw/zinc/88/67/29/919886729.db2.gz	QNZKXRVGNUFQJH-BXKDBHETSA-N	-1	0	275.308	0.433	20	30		CCEDRM
CCO[C@H](C(=O)[N-]S(=O)(=O)CCCC#N)C(C)C	ZINC001335173384	919996993	/nfs/dbraw/zinc/99/69/93/919996993.db2.gz	SFAAJGKIWMMZGE-JTQLQIEISA-N	-1	0	276.358	0.797	20	30		CCEDRM
C#CCCN1CCN(c2ncncc2C(=O)[O-])CC1	ZINC001336405917	920757035	/nfs/dbraw/zinc/75/70/35/920757035.db2.gz	DCWXTLMJHRMZGD-UHFFFAOYSA-N	-1	0	260.297	0.320	20	30		CCEDRM
CC(C)Cn1[n-]c(CC(=O)N[C@@H](C)C#N)cc1=O	ZINC001336498666	920806023	/nfs/dbraw/zinc/80/60/23/920806023.db2.gz	YLRHIPXLUQDQRD-VIFPVBQESA-N	-1	0	250.302	0.403	20	30		CCEDRM
CCCC1(C(=O)NCCn2cc(C#N)c(=O)[n-]c2=O)CC1	ZINC001418535815	922232304	/nfs/dbraw/zinc/23/23/04/922232304.db2.gz	BSWJJTLNMUKCLW-UHFFFAOYSA-N	-1	0	290.323	0.517	20	30		CCEDRM
C=C(C)C[C@H](CO)NC(=O)NCCCCC(=O)[O-]	ZINC001341328048	922429302	/nfs/dbraw/zinc/42/93/02/922429302.db2.gz	SXSIXZZLOAJPKC-SNVBAGLBSA-N	-1	0	258.318	0.868	20	30		CCEDRM
N#Cc1cccc(CC(=O)N2CCOC[C@H]2c2nnn[n-]2)c1	ZINC001418862518	922459497	/nfs/dbraw/zinc/45/94/97/922459497.db2.gz	GIBZYNMOEMQSCT-LBPRGKRZSA-N	-1	0	298.306	0.214	20	30		CCEDRM
C#CCN(CC#C)c1nnc(Cc2nn[nH]n2)n1CC(=C)C	ZINC001341922882	922723271	/nfs/dbraw/zinc/72/32/71/922723271.db2.gz	GKEKTYIQGGYDIQ-UHFFFAOYSA-N	-1	0	296.338	0.031	20	30		CCEDRM
C=CCn1cc(C([O-])=C(C#N)c2nccn2C)nn1	ZINC001342269614	922884516	/nfs/dbraw/zinc/88/45/16/922884516.db2.gz	WXHASJOPFNKSDE-SECBINFHSA-N	-1	0	256.269	0.688	20	30		CCEDRM
COCCn1cc(C([O-])=C(C#N)C(=O)NC2CC2)c(C)n1	ZINC001342582833	923010382	/nfs/dbraw/zinc/01/03/82/923010382.db2.gz	GFXGWUNVPMFFSX-NSHDSACASA-N	-1	0	290.323	0.439	20	30		CCEDRM
CNC(=O)C(C#N)=C([O-])c1cnc2c(cnn2C)c1	ZINC001343447521	923321729	/nfs/dbraw/zinc/32/17/29/923321729.db2.gz	QBSGIZHOIROMCK-VIFPVBQESA-N	-1	0	257.253	0.037	20	30		CCEDRM
C#CCN(CC#C)c1nnc(Cc2nn[nH]n2)n1CC(C)C	ZINC001343579631	923381624	/nfs/dbraw/zinc/38/16/24/923381624.db2.gz	AIWGZBSVOQIBRI-UHFFFAOYSA-N	-1	0	298.354	0.111	20	30		CCEDRM
Cn1nc2c(c1C([O-])=C(C#N)C(=O)NC1CC1)CCC2	ZINC001343590177	923382987	/nfs/dbraw/zinc/38/29/87/923382987.db2.gz	LVFYGHPCBHNEDO-SNVBAGLBSA-N	-1	0	272.308	0.510	20	30		CCEDRM
C[C@H](CNC(=O)CC1(C#N)CCOCC1)C(=O)[O-]	ZINC001350352705	925179111	/nfs/dbraw/zinc/17/91/11/925179111.db2.gz	APQIBTCFARJBDX-SECBINFHSA-N	-1	0	254.286	0.534	20	30		CCEDRM
C=CCC[C@H](NC(=O)[C@@H](c1cncn1C)N(C)C)C(=O)[O-]	ZINC001350768397	925275388	/nfs/dbraw/zinc/27/53/88/925275388.db2.gz	LYGWYFRPQWPCMS-CMPLNLGQSA-N	-1	0	294.355	0.558	20	30		CCEDRM
C#CCSCC(=O)[N-]S(=O)(=O)c1cnc(C)s1	ZINC001353521149	925859763	/nfs/dbraw/zinc/85/97/63/925859763.db2.gz	CPCWUJDSDDVLRT-UHFFFAOYSA-N	-1	0	290.391	0.623	20	30		CCEDRM
C#CCCN1CCN(C(=O)[C@H]2C[C@@H](C)[C@H](C(=O)[O-])O2)CC1	ZINC001354074175	926007100	/nfs/dbraw/zinc/00/71/00/926007100.db2.gz	ZOXGITYVVKMRMJ-JHJVBQTASA-N	-1	0	294.351	0.032	20	30		CCEDRM
C=C(C)CN(C)c1nnc(-c2cc(=O)n(C)[n-]2)n1C	ZINC001355609823	926291684	/nfs/dbraw/zinc/29/16/84/926291684.db2.gz	DYGHJPFGVDHKKK-UHFFFAOYSA-N	-1	0	262.317	0.934	20	30		CCEDRM
COC(=O)c1cc(C([O-])=C(C#N)C(=O)NC(C)C)on1	ZINC001356058599	926340133	/nfs/dbraw/zinc/34/01/33/926340133.db2.gz	FALJVNGVSTWJGG-SSDOTTSWSA-N	-1	0	279.252	0.308	20	30		CCEDRM
Cc1c(C([O-])=C(C#N)C(=O)c2nccn2C)nnn1C	ZINC001357598669	926567391	/nfs/dbraw/zinc/56/73/91/926567391.db2.gz	KFGAMGSZPZNPJI-MRVPVSSYSA-N	-1	0	272.268	0.062	20	30		CCEDRM
C=CCO[N-]C(=O)[C@@H]1CC(c2cnn(C)c2)=NO1	ZINC001358285151	926665779	/nfs/dbraw/zinc/66/57/79/926665779.db2.gz	BJBCSVXIGBFJPU-JTQLQIEISA-N	-1	0	250.258	0.147	20	30		CCEDRM
C#CC[C@@H](NC(=O)C1CCN(C(=O)C(C)C)CC1)C(=O)[O-]	ZINC000149563868	926941197	/nfs/dbraw/zinc/94/11/97/926941197.db2.gz	ZRUHWWYCLNFEEC-GFCCVEGCSA-N	-1	0	294.351	0.474	20	30		CCEDRM
C=CC[C@H](NC(=O)[C@H]1CS[C@@]2(C)CCC(=O)N12)C(=O)[O-]	ZINC000150338327	926949722	/nfs/dbraw/zinc/94/97/22/926949722.db2.gz	MFPWCTJLIVJJED-RWEMILLDSA-N	-1	0	298.364	0.586	20	30		CCEDRM
COC(=O)[C@H]1CCN(C(=O)c2[n-]c(=O)c(C#N)cc2C)C1	ZINC001361975680	927491367	/nfs/dbraw/zinc/49/13/67/927491367.db2.gz	RABNLOFNFRQWEK-VIFPVBQESA-N	-1	0	289.291	0.602	20	30		CCEDRM
C[C@@H](C#N)CNC(=O)c1ccc(-n2[nH]c(=O)[n-]c2=O)cc1	ZINC001362189448	927709059	/nfs/dbraw/zinc/70/90/59/927709059.db2.gz	NGIASCFIPLSNKY-QMMMGPOBSA-N	-1	0	287.279	0.156	20	30		CCEDRM
CCOC(=O)[C@@H](C)CNC(=O)c1[n-]c(=O)c(C#N)cc1C	ZINC001362204698	927729730	/nfs/dbraw/zinc/72/97/30/927729730.db2.gz	XBSRRMFCZZVZIU-VIFPVBQESA-N	-1	0	291.307	0.896	20	30		CCEDRM
N#CCOc1cc(F)ccc1NC(=O)CCc1nnn[n-]1	ZINC001362240947	927767869	/nfs/dbraw/zinc/76/78/69/927767869.db2.gz	ADINRLCJVQUOOT-UHFFFAOYSA-N	-1	0	290.258	0.812	20	30		CCEDRM
Cc1cc(C#N)c(=O)[n-]c1C(=O)N[C@H]1C(=O)NCC[C@H]1C	ZINC001362434239	928014574	/nfs/dbraw/zinc/01/45/74/928014574.db2.gz	GPATUEKTGZFHNH-GMSGAONNSA-N	-1	0	288.307	0.222	20	30		CCEDRM
CCc1nc(CNS(=O)(=O)c2cncc(C#N)c2)co1	ZINC001424078391	928086240	/nfs/dbraw/zinc/08/62/40/928086240.db2.gz	FWCIJAPYKMLGEK-UHFFFAOYSA-N	-1	0	292.320	0.982	20	30		CCEDRM
Cc1cc(C#N)c(=O)[n-]c1C(=O)N1CC(=O)N(C)[C@H](C)C1	ZINC001362551006	928166929	/nfs/dbraw/zinc/16/69/29/928166929.db2.gz	UKPJSNWSAOCRSD-SECBINFHSA-N	-1	0	288.307	0.270	20	30		CCEDRM
Cc1cc(C#N)c(=O)[n-]c1C(=O)N1CC[C@H](CO)[C@H]1C	ZINC001362585734	928214395	/nfs/dbraw/zinc/21/43/95/928214395.db2.gz	UOWRKPRVIKLLSE-NXEZZACHSA-N	-1	0	275.308	0.810	20	30		CCEDRM
Cc1nonc1C[N-]S(=O)(=O)c1ccsc1C#N	ZINC001424574835	928219749	/nfs/dbraw/zinc/21/97/49/928219749.db2.gz	FVHWYXAILWGBOJ-UHFFFAOYSA-N	-1	0	284.322	0.790	20	30		CCEDRM
C[C@H]([C@@H](C)C(=O)Nc1nc(C#N)c(C#N)[n-]1)S(C)(=O)=O	ZINC001362614412	928252760	/nfs/dbraw/zinc/25/27/60/928252760.db2.gz	UNGRPQVPWQPDQB-RNFRBKRXSA-N	-1	0	295.324	0.161	20	30		CCEDRM
Cc1cc(C#N)c(=O)[n-]c1C(=O)N1CN(C)C(=O)[C@@H]1C	ZINC001362909106	928640205	/nfs/dbraw/zinc/64/02/05/928640205.db2.gz	FTOFBDHAFHOREM-QMMMGPOBSA-N	-1	0	274.280	0.228	20	30		CCEDRM
COC(=O)[C@H]1C[C@H](NC(=O)c2[n-]c(=O)c(C#N)cc2C)C1	ZINC001363013579	928762766	/nfs/dbraw/zinc/76/27/66/928762766.db2.gz	CVOVPBZMDTZKPV-CZMCAQCFSA-N	-1	0	289.291	0.649	20	30		CCEDRM
N#CC1(CNC(=O)CCCn2c(=O)[n-][nH]c2=O)CCC1	ZINC001363063205	928822528	/nfs/dbraw/zinc/82/25/28/928822528.db2.gz	FKENBQOEYNMHKL-UHFFFAOYSA-N	-1	0	279.300	0.280	20	30		CCEDRM
CC(C)[C@@H](O)C1(CNc2[n-]c(=O)n(C)c(=O)c2C#N)CC1	ZINC001363152054	928923828	/nfs/dbraw/zinc/92/38/28/928923828.db2.gz	ZVXSMKTXOILHSW-SNVBAGLBSA-N	-1	0	292.339	0.154	20	30		CCEDRM
Cn1c(=O)[n-]c(N2CCc3c(O)cccc3C2)c(C#N)c1=O	ZINC001363162295	928934279	/nfs/dbraw/zinc/93/42/79/928934279.db2.gz	BKLNCGNXIJZVEC-UHFFFAOYSA-N	-1	0	298.302	0.214	20	30		CCEDRM
N#Cc1nc(NC(=O)c2cnn3c2OCCC3)[n-]c1C#N	ZINC001363162801	928936070	/nfs/dbraw/zinc/93/60/70/928936070.db2.gz	XUALPNIKZWVTTJ-UHFFFAOYSA-N	-1	0	283.251	0.384	20	30		CCEDRM
CN(C[C@H](O)c1cccc(C#N)c1)C(=O)c1c[n-]ncc1=O	ZINC001363219970	928989478	/nfs/dbraw/zinc/98/94/78/928989478.db2.gz	STRRWXCNNDZYLK-AWEZNQCLSA-N	-1	0	298.302	0.859	20	30		CCEDRM
N#Cc1cn(CCNC(=O)C2(C3CC3)CC2)c(=O)[n-]c1=O	ZINC001363289141	929080966	/nfs/dbraw/zinc/08/09/66/929080966.db2.gz	VGANJIQXRVAZDK-UHFFFAOYSA-N	-1	0	288.307	0.127	20	30		CCEDRM
Cc1cc(C)nc(-n2[n-]c(C(=O)N3CC(C#N)C3)cc2=O)n1	ZINC001363373538	929159722	/nfs/dbraw/zinc/15/97/22/929159722.db2.gz	LJCSJGLEIIHQPD-UHFFFAOYSA-N	-1	0	298.306	0.168	20	30		CCEDRM
Cc1cc(C#N)c(=O)[n-]c1C(=O)N1CC2(C1)CCOC2	ZINC001363374327	929160988	/nfs/dbraw/zinc/16/09/88/929160988.db2.gz	NOBGYXLTOQNHRG-UHFFFAOYSA-N	-1	0	273.292	0.830	20	30		CCEDRM
CNC(=O)[C@@H]1CCN(C(=O)c2[n-]c(=O)c(C#N)cc2C)C1	ZINC001363456401	929258465	/nfs/dbraw/zinc/25/84/65/929258465.db2.gz	PNKSMHARLKWXHS-SECBINFHSA-N	-1	0	288.307	0.175	20	30		CCEDRM
Cc1cc(C#N)c(=O)[n-]c1C(=O)NCCc1cc[nH]n1	ZINC001363545163	929344652	/nfs/dbraw/zinc/34/46/52/929344652.db2.gz	MTLQBPRRJCLTMA-UHFFFAOYSA-N	-1	0	271.280	0.663	20	30		CCEDRM
O=C(N[C@@H]1CCN(O)C1=O)c1cc([N+](=O)[O-])ccc1[O-]	ZINC001450154712	931238948	/nfs/dbraw/zinc/23/89/48/931238948.db2.gz	GNCSUTFPIRSEFB-MRVPVSSYSA-N	-1	0	281.224	0.020	20	30		CCEDRM
Cc1cc([N+](=O)[O-])cc(C(=O)N[C@H]2CCCN(O)C2=O)n1	ZINC001450273966	931256211	/nfs/dbraw/zinc/25/62/11/931256211.db2.gz	UJAATZNXOXONDY-VIFPVBQESA-N	-1	0	294.267	0.408	20	30		CCEDRM
C=CCOc1cccnc1C(=O)[N-]n1cnn(CC)c1=O	ZINC001450470400	931294294	/nfs/dbraw/zinc/29/42/94/931294294.db2.gz	SNCGSHVLZQZMAV-UHFFFAOYSA-N	-1	0	289.295	0.408	20	30		CCEDRM
COc1ncccc1CCNC(=O)[C@@](C)(C#N)CC(=O)[O-]	ZINC001611074849	970880792	/nfs/dbraw/zinc/88/07/92/970880792.db2.gz	RDQISUSJYRJFGH-CQSZACIVSA-N	-1	0	291.307	0.753	20	30		CCEDRM
Cc1nn(C)cc1COC(=O)[C@@](C)(C#N)CC(=O)[O-]	ZINC001611254462	970956923	/nfs/dbraw/zinc/95/69/23/970956923.db2.gz	WWAUAJINKBYKSM-GFCCVEGCSA-N	-1	0	265.269	0.776	20	30		CCEDRM
N#C[C@@H](NC(=O)COCC(=O)[O-])C1CCCCC1	ZINC001605575790	973840091	/nfs/dbraw/zinc/84/00/91/973840091.db2.gz	FCANJDXKMGSJDU-SNVBAGLBSA-N	-1	0	254.286	0.676	20	30		CCEDRM
O=C([O-])C1(C(=O)NCC#C[C@@H]2CCCCO2)CC1	ZINC001601700327	971041611	/nfs/dbraw/zinc/04/16/11/971041611.db2.gz	PJDHNKXREBSORU-JTQLQIEISA-N	-1	0	251.282	0.540	20	30		CCEDRM
C#CC1CCN(C(=O)[C@]2(C(=O)[O-])CCCO2)CC1	ZINC001602674923	971243359	/nfs/dbraw/zinc/24/33/59/971243359.db2.gz	FPQZMXLZKXYIAX-ZDUSSCGKSA-N	-1	0	251.282	0.492	20	30		CCEDRM
C#CCN(C(=O)C(=O)N1C[C@H](C(=O)[O-])C[C@H](C)C1)C(C)C	ZINC001602675578	971250788	/nfs/dbraw/zinc/25/07/88/971250788.db2.gz	BEZRGMQSUWXJII-NWDGAFQWSA-N	-1	0	294.351	0.426	20	30		CCEDRM
C#CCCCC(=O)OCc1cn(CC(=O)[O-])nn1	ZINC001602675659	971251734	/nfs/dbraw/zinc/25/17/34/971251734.db2.gz	HMIMIRUYQTZMCC-UHFFFAOYSA-N	-1	0	251.242	0.209	20	30		CCEDRM
C#CCN(CC(=O)[O-])C(=O)CNC(=O)C1CCCCC1	ZINC001602682211	971266432	/nfs/dbraw/zinc/26/64/32/971266432.db2.gz	IPRHRCULFCWOOF-UHFFFAOYSA-N	-1	0	280.324	0.229	20	30		CCEDRM
C#CCN(CC(=O)[O-])C(=O)COCCOc1ccccc1	ZINC001602682552	971268951	/nfs/dbraw/zinc/26/89/51/971268951.db2.gz	PZHFQLKRNNXGCX-UHFFFAOYSA-N	-1	0	291.303	0.628	20	30		CCEDRM
C#CCN(CC(=O)[O-])C(=O)N[C@@H](C)c1cc[nH]c(=O)c1	ZINC001602684036	971277546	/nfs/dbraw/zinc/27/75/46/971277546.db2.gz	OFJOKOYLIXDEPT-VIFPVBQESA-N	-1	0	277.280	0.578	20	30		CCEDRM
C#CCN(CC(=O)[O-])C(=O)N[C@H](C)c1nc(C)no1	ZINC001602684385	971280930	/nfs/dbraw/zinc/28/09/30/971280930.db2.gz	ZKVYXMOGVGOYLW-SSDOTTSWSA-N	-1	0	266.257	0.168	20	30		CCEDRM
C#CCN(CC(=O)[O-])C(=O)NOCc1ccccc1	ZINC001602685877	971283206	/nfs/dbraw/zinc/28/32/06/971283206.db2.gz	JJTNOZKMKSFEMY-UHFFFAOYSA-N	-1	0	262.265	0.848	20	30		CCEDRM
C#CCN(CC(=O)[O-])C(=O)NCc1cccn(CC)c1=O	ZINC001602686184	971286355	/nfs/dbraw/zinc/28/63/55/971286355.db2.gz	UAZUVSQRJSDYQO-UHFFFAOYSA-N	-1	0	291.307	0.098	20	30		CCEDRM
C#CCN(CC(=O)[O-])C(=O)[C@@H](NC(=O)OC)[C@@H](C)CC	ZINC001602691572	971296372	/nfs/dbraw/zinc/29/63/72/971296372.db2.gz	MYDDTTWAXFJDMT-ONGXEEELSA-N	-1	0	284.312	0.304	20	30		CCEDRM
C#CCN(CC(=O)[O-])C(=O)c1cnc2ccc(C)cn2c1=O	ZINC001602692287	971302116	/nfs/dbraw/zinc/30/21/16/971302116.db2.gz	JYNLXBVDAVRJHP-UHFFFAOYSA-N	-1	0	299.286	0.163	20	30		CCEDRM
C#CCN(CC(=O)[O-])C(=O)c1cn(Cc2ccccc2)nn1	ZINC001602692088	971301069	/nfs/dbraw/zinc/30/10/69/971301069.db2.gz	FEDSRLRRBXNFML-UHFFFAOYSA-N	-1	0	298.302	0.486	20	30		CCEDRM
C#CCN(CC(=O)[O-])C(=O)c1n[nH]nc1-c1ccccc1	ZINC001602692640	971304095	/nfs/dbraw/zinc/30/40/95/971304095.db2.gz	VKMMBMRXJOHHDV-UHFFFAOYSA-N	-1	0	284.275	0.632	20	30		CCEDRM
C#CCN(CC(=O)[O-])[C@@H](C)C(=O)Nc1nccs1	ZINC001602695420	971308048	/nfs/dbraw/zinc/30/80/48/971308048.db2.gz	FMHAJNSRBRTTEV-QMMMGPOBSA-N	-1	0	267.310	0.490	20	30		CCEDRM
C#CCN(CC(=O)[O-])C[C@@H](O)COc1cccc(C)c1	ZINC001602695789	971312463	/nfs/dbraw/zinc/31/24/63/971312463.db2.gz	SPPFEWSOGAMNDF-CYBMUJFWSA-N	-1	0	277.320	0.755	20	30		CCEDRM
C#CCN(CC(=O)[O-])C[C@@H](O)COc1ccccc1	ZINC001602695948	971314057	/nfs/dbraw/zinc/31/40/57/971314057.db2.gz	YOEDMRKETONNBD-GFCCVEGCSA-N	-1	0	263.293	0.446	20	30		CCEDRM
C#CCN(CC(=O)[O-])Cc1nc(CC(F)(F)F)no1	ZINC001602699232	971317211	/nfs/dbraw/zinc/31/72/11/971317211.db2.gz	OWZIHKDFSGRFAX-UHFFFAOYSA-N	-1	0	277.202	0.694	20	30		CCEDRM
C#CCN(CCOCC(F)(F)C(F)F)CC(=O)[O-]	ZINC001602700725	971320086	/nfs/dbraw/zinc/32/00/86/971320086.db2.gz	FZXXRAHEDCVHGZ-UHFFFAOYSA-N	-1	0	271.210	0.923	20	30		CCEDRM
C=C(C)CCNC(=O)N1C[C@H]2COC[C@@]2(C(=O)[O-])C1	ZINC001602710520	971352053	/nfs/dbraw/zinc/35/20/53/971352053.db2.gz	ZKWLHNWHKQWDBK-GWCFXTLKSA-N	-1	0	268.313	0.695	20	30		CCEDRM
C=CCC1(O)CN(C(=O)c2ccc(OCC(=O)[O-])cc2)C1	ZINC001602718567	971375059	/nfs/dbraw/zinc/37/50/59/971375059.db2.gz	PFVGDDNDGAIAKS-UHFFFAOYSA-N	-1	0	291.303	0.913	20	30		CCEDRM
C=CCCn1cc(C(=O)O[C@H](C(=O)[O-])C2CC2)nn1	ZINC001602721957	971385115	/nfs/dbraw/zinc/38/51/15/971385115.db2.gz	JVCVUBFKURRWMP-JTQLQIEISA-N	-1	0	265.269	0.874	20	30		CCEDRM
C=CCN(CC(=O)OCC)C(=O)[C@@H]1CC[C@@H]1C(=O)[O-]	ZINC001602722920	971391163	/nfs/dbraw/zinc/39/11/63/971391163.db2.gz	ZSUZSOZOQMGRPQ-ZJUUUORDSA-N	-1	0	269.297	0.675	20	30		CCEDRM
C=C[C@@H]1OCC[C@H]1NC(=O)[C@@H]1CO[C@@H](CCC(=O)[O-])C1	ZINC001602731179	971412715	/nfs/dbraw/zinc/41/27/15/971412715.db2.gz	WVXKAWBRQUGEMT-YFKTTZPYSA-N	-1	0	283.324	0.716	20	30		CCEDRM
CC[C@H](CNS(=O)(=O)N(CC)CCC#N)C(=O)[O-]	ZINC001589554371	948774378	/nfs/dbraw/zinc/77/43/78/948774378.db2.gz	CQDHHXYYTBRWPI-SECBINFHSA-N	-1	0	277.346	0.167	20	30		CCEDRM
C[C@](C#N)(CC(=O)[O-])C(=O)N[C@H]1Cc2cccc(O)c2C1	ZINC001602780547	971518799	/nfs/dbraw/zinc/51/87/99/971518799.db2.gz	ISLSXRKZBYSSBE-ZUZCIYMTSA-N	-1	0	288.303	0.980	20	30		CCEDRM
C[C@@](C#N)(CC(=O)[O-])C(=O)N1CCN(CCC#N)CC1	ZINC001602780665	971519756	/nfs/dbraw/zinc/51/97/56/971519756.db2.gz	KWHYAOBIDPAZCI-ZDUSSCGKSA-N	-1	0	278.312	0.049	20	30		CCEDRM
C[C@@H](C#N)N(C(=O)c1cccn(CC(=O)[O-])c1=O)C1CC1	ZINC001602786468	971535461	/nfs/dbraw/zinc/53/54/61/971535461.db2.gz	SOXHUZLKGNMPGV-VIFPVBQESA-N	-1	0	289.291	0.450	20	30		CCEDRM
C[C@@H](Oc1ccc(C#N)cc1)C(=O)NC[C@](C)(O)C(=O)[O-]	ZINC000090276491	949119715	/nfs/dbraw/zinc/11/97/15/949119715.db2.gz	IQTAXYDVJBOUBE-OTYXRUKQSA-N	-1	0	292.291	0.277	20	30		CCEDRM
Cc1ccc(C#N)cc1NC(=O)c1cn(CC(=O)[O-])nn1	ZINC000090719429	949131321	/nfs/dbraw/zinc/13/13/21/949131321.db2.gz	NSCPOVVEQOJYSK-UHFFFAOYSA-N	-1	0	285.263	0.795	20	30		CCEDRM
C#CCN(CC(=O)[O-])C(=O)[C@@H](C)NC(=O)C(C)(C)C	ZINC000092476747	949144280	/nfs/dbraw/zinc/14/42/80/949144280.db2.gz	RBPPKPLSOFRGQP-SECBINFHSA-N	-1	0	268.313	0.084	20	30		CCEDRM
C#CCN(CC(=O)[O-])C(=O)[C@@H]1Cc2ccccc2O1	ZINC000092476625	949144595	/nfs/dbraw/zinc/14/45/95/949144595.db2.gz	KUVUYDRZQFMBOI-LBPRGKRZSA-N	-1	0	259.261	0.537	20	30		CCEDRM
C#CCN(CC(=O)[O-])C(=O)c1cccc(Cl)n1	ZINC000092478511	949149350	/nfs/dbraw/zinc/14/93/50/949149350.db2.gz	HAHBMFDZEISYTP-UHFFFAOYSA-N	-1	0	252.657	0.895	20	30		CCEDRM
C#CCN(CC(=O)[O-])S(=O)(=O)c1cc(C#N)ccc1C	ZINC000092479735	949152058	/nfs/dbraw/zinc/15/20/58/949152058.db2.gz	DVMINDDITUDWFD-UHFFFAOYSA-N	-1	0	292.316	0.575	20	30		CCEDRM
COC(=O)CC[C@H](NC(=O)C#Cc1ccccc1)C(=O)[O-]	ZINC000168724963	949469290	/nfs/dbraw/zinc/46/92/90/949469290.db2.gz	DWFXMXSRZYIZBA-LBPRGKRZSA-N	-1	0	289.287	0.561	20	30		CCEDRM
CCN(C(=O)C(=O)Nc1sccc1C#N)[C@@H](C)C(=O)[O-]	ZINC001589697918	950194591	/nfs/dbraw/zinc/19/45/91/950194591.db2.gz	GTEXLPYFPJUJFG-ZETCQYMHSA-N	-1	0	295.320	0.880	20	30		CCEDRM
CC(C)(C(=O)[O-])C(=O)N1CCN(C2CC2)[C@H](C#N)C1	ZINC001602832489	971659864	/nfs/dbraw/zinc/65/98/64/971659864.db2.gz	QIUJQDBXZKSIIZ-SNVBAGLBSA-N	-1	0	265.313	0.296	20	30		CCEDRM
CCN(C[C@@H](C)C#N)C(=O)CN1CCC[C@]1(C)C(=O)[O-]	ZINC001589720452	950415511	/nfs/dbraw/zinc/41/55/11/950415511.db2.gz	POORNBOIQYODOS-SMDDNHRTSA-N	-1	0	281.356	0.934	20	30		CCEDRM
C[C@H]1CCN(c2cnc(C#N)c(-c3nnn[n-]3)n2)C[C@H]1F	ZINC001576214259	950664832	/nfs/dbraw/zinc/66/48/32/950664832.db2.gz	NZXKOGNMISOABL-JGVFFNPUSA-N	-1	0	288.290	0.713	20	30		CCEDRM
C=CCCCCNS(=O)(=O)N1CCC(C(=O)[O-])CC1	ZINC000311829430	950745792	/nfs/dbraw/zinc/74/57/92/950745792.db2.gz	JYRWRMBILLMDRW-UHFFFAOYSA-N	-1	0	290.385	0.974	20	30		CCEDRM
C[C@H](C(=O)[O-])N(CC(=O)N(CCC#N)CCC#N)C1CC1	ZINC000383150729	951239904	/nfs/dbraw/zinc/23/99/04/951239904.db2.gz	LXJLDKCHOIFHTI-LLVKDONJSA-N	-1	0	292.339	0.580	20	30		CCEDRM
O=C([O-])CCNN=Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-]	ZINC001595060896	951516718	/nfs/dbraw/zinc/51/67/18/951516718.db2.gz	LVCLSAWDTXHJHF-UHFFFAOYSA-N	-1	0	282.212	0.901	20	30		CCEDRM
C=CCCC[C@H](C)NC(=O)c1cn(CC(=O)[O-])nn1	ZINC000398192462	951585255	/nfs/dbraw/zinc/58/52/55/951585255.db2.gz	AYBDSSUFHYCRPA-VIFPVBQESA-N	-1	0	266.301	0.837	20	30		CCEDRM
C[C@H](C(=O)N1CCC[C@@H](C)[C@@H]1C(=O)[O-])n1cnc(C#N)n1	ZINC001589320448	953861143	/nfs/dbraw/zinc/86/11/43/953861143.db2.gz	LAOGNAVFCZNKQE-FXPVBKGRSA-N	-1	0	291.311	0.422	20	30		CCEDRM
C[C@@H]1CN(C(=O)[C@](C)(C#N)CC(=O)[O-])CC[C@H]1O	ZINC001589366180	954198020	/nfs/dbraw/zinc/19/80/20/954198020.db2.gz	JZDBCMOBEFQICW-LNLATYFQSA-N	-1	0	254.286	0.220	20	30		CCEDRM
CN(CCC(=O)[O-])C(=O)C(=O)Nc1ccc(F)cc1C#N	ZINC001593731974	954323231	/nfs/dbraw/zinc/32/32/31/954323231.db2.gz	ZTYWIQLJBCWBFC-UHFFFAOYSA-N	-1	0	293.254	0.569	20	30		CCEDRM
CC[C@@H](C#N)N(CC)C(=O)c1cccn(CC(=O)[O-])c1=O	ZINC001589426140	954622139	/nfs/dbraw/zinc/62/21/39/954622139.db2.gz	DZNDCTLSRADEIS-JTQLQIEISA-N	-1	0	291.307	0.697	20	30		CCEDRM
CC[C@@H](CC#N)OC(=O)c1cc(C(=O)[O-])nn1C	ZINC001589463599	954876619	/nfs/dbraw/zinc/87/66/19/954876619.db2.gz	FCCBOUYFUXVHHZ-ZETCQYMHSA-N	-1	0	251.242	0.967	20	30		CCEDRM
Cc1onc(CC(=O)N2C[C@H](C)C[C@@H](C(=O)[O-])C2)c1C#N	ZINC001594510162	955378796	/nfs/dbraw/zinc/37/87/96/955378796.db2.gz	FRLZHEUZQABUNH-PSASIEDQSA-N	-1	0	291.307	0.966	20	30		CCEDRM
C[C@H](NC(=O)[C@H]1CC(C(=O)[O-])=NO1)c1ccc(C#N)cc1	ZINC001589091317	955941639	/nfs/dbraw/zinc/94/16/39/955941639.db2.gz	BHSMRZAUSCSJMR-QPUJVOFHSA-N	-1	0	287.275	0.965	20	30		CCEDRM
CO[C@H](C(=O)[O-])C(=O)OCc1ccncc1C#N	ZINC001593917054	956031701	/nfs/dbraw/zinc/03/17/01/956031701.db2.gz	CVNRQDCKXJUHRR-SECBINFHSA-N	-1	0	250.210	0.096	20	30		CCEDRM
Cn1nccc1[C@@H](NC(=O)c1ccc(C#N)[nH]1)C(=O)[O-]	ZINC001594590503	956054066	/nfs/dbraw/zinc/05/40/66/956054066.db2.gz	QPHRHHVUGMUJLT-SNVBAGLBSA-N	-1	0	273.252	0.176	20	30		CCEDRM
Cn1nccc1CCOC(=O)[C@@](C)(C#N)CC(=O)[O-]	ZINC001594596622	956096975	/nfs/dbraw/zinc/09/69/75/956096975.db2.gz	GJFBKHFHGJIBDB-GFCCVEGCSA-N	-1	0	265.269	0.510	20	30		CCEDRM
N#CC1(NC(=O)c2cnc(C(=O)[O-])cn2)CCSCC1	ZINC001594602451	956146898	/nfs/dbraw/zinc/14/68/98/956146898.db2.gz	OAMOZVFYMOJCHV-UHFFFAOYSA-N	-1	0	292.320	0.694	20	30		CCEDRM
N#C[C@@H](C(=O)CCCC(=O)[O-])C(=O)Nc1ccccn1	ZINC001594602697	956150155	/nfs/dbraw/zinc/15/01/55/956150155.db2.gz	XUZMYWIIPXKJOT-VIFPVBQESA-N	-1	0	275.264	0.984	20	30		CCEDRM
N#CC1(CC(=O)N[C@@H](Cc2ccncc2)C(=O)[O-])CC1	ZINC001594603490	956156596	/nfs/dbraw/zinc/15/65/96/956156596.db2.gz	DFKJJEYFDNVVOX-NSHDSACASA-N	-1	0	273.292	0.887	20	30		CCEDRM
N#CC1(CNC(=O)[C@@H]2CO[C@@H](CCC(=O)[O-])C2)CC1	ZINC001594604037	956158653	/nfs/dbraw/zinc/15/86/53/956158653.db2.gz	NPCFUUMPQXTPGN-UWVGGRQHSA-N	-1	0	266.297	0.676	20	30		CCEDRM
N#CC[C@@H]1CCCN(C(=O)[C@H]2CC(C(=O)[O-])=NO2)C1	ZINC001594605586	956169080	/nfs/dbraw/zinc/16/90/80/956169080.db2.gz	FUQONGAKXFNUIG-WCBMZHEXSA-N	-1	0	265.269	0.368	20	30		CCEDRM
N#CCC(=O)NC[C@@H]1CCC2(CC(C(=O)[O-])C2)O1	ZINC001594606223	956178836	/nfs/dbraw/zinc/17/88/36/956178836.db2.gz	SLIMJSWDOGKXEZ-XEVUQIKYSA-N	-1	0	252.270	0.429	20	30		CCEDRM
N#CC[C@@H](NC(=O)N1CCO[C@@H](C(=O)[O-])C1)C(F)(F)F	ZINC001594606351	956181325	/nfs/dbraw/zinc/18/13/25/956181325.db2.gz	RVRAVNTXHNNGSP-RNFRBKRXSA-N	-1	0	295.217	0.326	20	30		CCEDRM
N#CCC1(O)CN(C(=O)/C=C/c2ccc(C(=O)[O-])o2)C1	ZINC001594606574	956184544	/nfs/dbraw/zinc/18/45/44/956184544.db2.gz	VYHCPSJHZJMHDA-DUXPYHPUSA-N	-1	0	276.248	0.478	20	30		CCEDRM
N#CCCN1CCN(C(=O)N[C@H]2C[C@@H](C(=O)[O-])C2)CC1	ZINC001594610103	956200432	/nfs/dbraw/zinc/20/04/32/956200432.db2.gz	KPEWJYJBHWCZDQ-PHIMTYICSA-N	-1	0	280.328	0.090	20	30		CCEDRM
N#CCOc1ccccc1C(=O)NCCOCC(=O)[O-]	ZINC001594611238	956212433	/nfs/dbraw/zinc/21/24/33/956212433.db2.gz	KOZCNSHJRAEILR-UHFFFAOYSA-N	-1	0	278.264	0.420	20	30		CCEDRM
N#Cc1cc(C(=O)NCC(=O)[O-])cnc1C(F)(F)F	ZINC001594616734	956244283	/nfs/dbraw/zinc/24/42/83/956244283.db2.gz	REAWJPPKNARFJD-UHFFFAOYSA-N	-1	0	273.170	0.786	20	30		CCEDRM
CO[C@@H]([C@@H](C)NC(=O)[C@](C)(C#N)CC(=O)[O-])C1CC1	ZINC001593938415	956248729	/nfs/dbraw/zinc/24/87/29/956248729.db2.gz	MZRDFJFECUHXPK-WLTAIBSBSA-N	-1	0	268.313	0.921	20	30		CCEDRM
N#Cc1cc2c(nc1N1CCO[C@@H](C(=O)[O-])C1)CCOC2	ZINC001594617442	956249813	/nfs/dbraw/zinc/24/98/13/956249813.db2.gz	LCILKCVDJQJLLA-GFCCVEGCSA-N	-1	0	289.291	0.316	20	30		CCEDRM
C[C@](O)(CNC(=O)c1csc(C#N)c1)C(=O)[O-]	ZINC001589147512	956309784	/nfs/dbraw/zinc/30/97/84/956309784.db2.gz	USFODRFBAMPCSY-JTQLQIEISA-N	-1	0	254.267	0.185	20	30		CCEDRM
N#Cc1cccc2c1CN([C@@H]1CCN(CC(=O)[O-])C1=O)C2	ZINC001594628674	956335400	/nfs/dbraw/zinc/33/54/00/956335400.db2.gz	JRYANVKEQKCUBN-CYBMUJFWSA-N	-1	0	285.303	0.559	20	30		CCEDRM
N#Cc1ccsc1NC(=O)C(=O)N1CCC[C@@H]1C(=O)[O-]	ZINC001594631803	956345798	/nfs/dbraw/zinc/34/57/98/956345798.db2.gz	NOBLALDDEQQZRH-MRVPVSSYSA-N	-1	0	293.304	0.634	20	30		CCEDRM
COC[C@@H](C#N)OC(=O)c1ccc(OCC(=O)[O-])cc1	ZINC001593952464	956405915	/nfs/dbraw/zinc/40/59/15/956405915.db2.gz	WUOBCSHQWOIJBG-LLVKDONJSA-N	-1	0	279.248	0.845	20	30		CCEDRM
COC[C@]1(C(=O)[O-])CCN(C(=O)[C@]2(C#N)CCCOC2)C1	ZINC001593959525	956472713	/nfs/dbraw/zinc/47/27/13/956472713.db2.gz	AZTHWXXIVXVSBO-KBPBESRZSA-N	-1	0	296.323	0.256	20	30		CCEDRM
O=C([O-])c1ccc(/C=C\C(=O)N[C@H]2CCN(O)C2=O)o1	ZINC001594670692	956616306	/nfs/dbraw/zinc/61/63/06/956616306.db2.gz	SCDPWXXBRVXLCR-LTMVXPGCSA-N	-1	0	280.236	0.097	20	30		CCEDRM
C[C@@H](CC(=O)[O-])NC(=O)C(=O)Nc1sccc1C#N	ZINC001603120222	972203776	/nfs/dbraw/zinc/20/37/76/972203776.db2.gz	JLRRDIHMSFZDIP-LURJTMIESA-N	-1	0	281.293	0.538	20	30		CCEDRM
COCCCCN(C)C(=O)[C@@](C)(C#N)CC(=O)[O-]	ZINC001593993316	956858836	/nfs/dbraw/zinc/85/88/36/956858836.db2.gz	UZOUBMDBIOGTLE-GFCCVEGCSA-N	-1	0	256.302	0.876	20	30		CCEDRM
COCCN(CC#N)C(=O)/C=C\c1ccc(C(=O)[O-])o1	ZINC001593995639	956890474	/nfs/dbraw/zinc/89/04/74/956890474.db2.gz	LDGSPNPSJZNHJD-HYXAFXHYSA-N	-1	0	278.264	0.990	20	30		CCEDRM
C#C[C@@H](CCC)NC(=O)NCCSCC(=O)[O-]	ZINC000389440614	972225484	/nfs/dbraw/zinc/22/54/84/972225484.db2.gz	HQLCTIMHKZFQCA-VIFPVBQESA-N	-1	0	258.343	0.905	20	30		CCEDRM
C[C@H](C#N)CNS(=O)(=O)c1ccsc1C(=O)[O-]	ZINC000054156618	957522593	/nfs/dbraw/zinc/52/25/93/957522593.db2.gz	OYRJDEGMXPTMAA-ZCFIWIBFSA-N	-1	0	274.323	0.884	20	30		CCEDRM
Cc1cc(C(=O)[O-])cc(C(=O)N[C@H]2CCCN(O)C2=O)c1	ZINC001594287025	957787818	/nfs/dbraw/zinc/78/78/18/957787818.db2.gz	SOGDFTSYHGODMX-NSHDSACASA-N	-1	0	292.291	0.803	20	30		CCEDRM
C#C[C@@H](C)NC(=O)C(=O)Nc1cccc(CC(=O)[O-])c1	ZINC001588388380	957993541	/nfs/dbraw/zinc/99/35/41/957993541.db2.gz	UAIFDUBELHNEAV-SECBINFHSA-N	-1	0	274.276	0.390	20	30		CCEDRM
C#CCC(CC#C)C(=O)N1C[C@@H]2COC[C@]2(C(=O)[O-])C1	ZINC001588389379	958007555	/nfs/dbraw/zinc/00/75/55/958007555.db2.gz	UBKOJZRUQDDWDU-IUODEOHRSA-N	-1	0	275.304	0.209	20	30		CCEDRM
C#CC[C@@H]1NC(=O)N(CC2(C(=O)[O-])CCC2)C1=O	ZINC001588392326	958033847	/nfs/dbraw/zinc/03/38/47/958033847.db2.gz	XHGQUZKMYZCQJX-QMMMGPOBSA-N	-1	0	250.254	0.185	20	30		CCEDRM
C#CCN(C(=O)C(=O)NC[C@H](CC)C(=O)[O-])C(C)C	ZINC001588395193	958038535	/nfs/dbraw/zinc/03/85/35/958038535.db2.gz	DCWRZEJWCDERCR-JTQLQIEISA-N	-1	0	268.313	0.084	20	30		CCEDRM
C#CCCS(=O)(=O)NCc1ccccc1C(=O)[O-]	ZINC001588395979	958045627	/nfs/dbraw/zinc/04/56/27/958045627.db2.gz	NGZWYVIZVLTWQC-UHFFFAOYSA-N	-1	0	267.306	0.828	20	30		CCEDRM
C#CCN(CC(=O)[O-])C(=O)C(=O)Nc1ccc(C)cc1C	ZINC001588395890	958045662	/nfs/dbraw/zinc/04/56/62/958045662.db2.gz	QVQIAYSFALDSLV-UHFFFAOYSA-N	-1	0	288.303	0.788	20	30		CCEDRM
C#CCN(CC(=O)[O-])C(=O)CN(C)C(=O)OC(C)(C)C	ZINC001588401848	958085870	/nfs/dbraw/zinc/08/58/70/958085870.db2.gz	FGKOAHCGQILDDX-UHFFFAOYSA-N	-1	0	284.312	0.400	20	30		CCEDRM
C#CCN(CC(=O)[O-])C(=O)C[C@@H](OCC)C(C)C	ZINC001588402450	958091256	/nfs/dbraw/zinc/09/12/56/958091256.db2.gz	VBTIDCDPUXSQLU-LLVKDONJSA-N	-1	0	255.314	0.984	20	30		CCEDRM
C#CCN(CC(=O)[O-])C(=O)C[C@@H]1CCOC[C@@H]1OCC	ZINC001588402649	958092649	/nfs/dbraw/zinc/09/26/49/958092649.db2.gz	ZGBLGYUQHWUSQI-RYUDHWBXSA-N	-1	0	283.324	0.365	20	30		CCEDRM
C#CCN(CC(=O)[O-])C(=O)N[C@@](C)(COC)C(F)(F)F	ZINC001588407449	958098947	/nfs/dbraw/zinc/09/89/47/958098947.db2.gz	NOBYSWUSSSJGDF-JTQLQIEISA-N	-1	0	296.245	0.683	20	30		CCEDRM
C#CCN(CC(=O)[O-])C(=O)Cc1ccc(Cl)cn1	ZINC001588407813	958103448	/nfs/dbraw/zinc/10/34/48/958103448.db2.gz	WBUZIVYSXIAQKB-UHFFFAOYSA-N	-1	0	266.684	0.824	20	30		CCEDRM
C#CCN(CC(=O)[O-])C(=O)N[C@@H]1CCCC12OCCO2	ZINC001588410167	958135592	/nfs/dbraw/zinc/13/55/92/958135592.db2.gz	PVRHGIRTVCNOJZ-SNVBAGLBSA-N	-1	0	282.296	0.011	20	30		CCEDRM
C#CCN(CC(=O)[O-])C(=O)Nc1ccc(OC)nc1C	ZINC001588412277	958150428	/nfs/dbraw/zinc/15/04/28/958150428.db2.gz	AGEHNOHFXAYKOS-UHFFFAOYSA-N	-1	0	277.280	0.950	20	30		CCEDRM
C#CCN(CC(=O)[O-])C(=O)c1cc(-n2ccnc2)ccc1O	ZINC001588417292	958168928	/nfs/dbraw/zinc/16/89/28/958168928.db2.gz	GSUIEORXAAOWIZ-UHFFFAOYSA-N	-1	0	299.286	0.738	20	30		CCEDRM
C#CCN(CC(=O)[O-])C(=O)c1cn(C)nc1C1CC1	ZINC001588418339	958177420	/nfs/dbraw/zinc/17/74/20/958177420.db2.gz	AVWQONPNGMPADL-UHFFFAOYSA-N	-1	0	261.281	0.458	20	30		CCEDRM
C#CCN(CC(=O)[O-])C(=O)c1cn(CC)nc1C1CC1	ZINC001588418949	958188227	/nfs/dbraw/zinc/18/82/27/958188227.db2.gz	XGSDNMNUXXVUHE-UHFFFAOYSA-N	-1	0	275.308	0.940	20	30		CCEDRM
C#CCN(CC(=O)[O-])Cc1ccc2oc(=O)oc2c1	ZINC001588423871	958209939	/nfs/dbraw/zinc/20/99/39/958209939.db2.gz	GVXOUCCPWIDINJ-UHFFFAOYSA-N	-1	0	261.233	0.906	20	30		CCEDRM
C#CCN(CC(=O)[O-])Cc1cc(CO)ccc1F	ZINC001588424382	958215541	/nfs/dbraw/zinc/21/55/41/958215541.db2.gz	PVTWXHRUPIAUEN-UHFFFAOYSA-N	-1	0	251.257	0.838	20	30		CCEDRM
C#CCN(CC(=O)[O-])c1nnc([C@@H](C)O)n1CC(C)C	ZINC001588426793	958234371	/nfs/dbraw/zinc/23/43/71/958234371.db2.gz	CDCHODZAQNFKIR-SNVBAGLBSA-N	-1	0	280.328	0.512	20	30		CCEDRM
C#CCN(CC(=O)[O-])c1nnc(COC)n1CC=C	ZINC001588426884	958235338	/nfs/dbraw/zinc/23/53/38/958235338.db2.gz	FNHRDEVOEXDCCX-UHFFFAOYSA-N	-1	0	264.285	0.135	20	30		CCEDRM
C#CCN(CC(=O)[O-])c1nnc(COC)n1CC(C)C	ZINC001588426939	958237293	/nfs/dbraw/zinc/23/72/93/958237293.db2.gz	HMPCVDBWIBPJHS-UHFFFAOYSA-N	-1	0	280.328	0.605	20	30		CCEDRM
C#CCN(CC(=O)[O-])c1nnc([C@H]2CCCCO2)n1C	ZINC001588427235	958241574	/nfs/dbraw/zinc/24/15/74/958241574.db2.gz	RAVFXEROOCXEMR-SNVBAGLBSA-N	-1	0	278.312	0.581	20	30		CCEDRM
Cc1ccc(C#N)cc1C(=O)N1CCOC[C@@H]1C(=O)[O-]	ZINC001594342745	958308230	/nfs/dbraw/zinc/30/82/30/958308230.db2.gz	SYWDAMMSVIUQPB-GFCCVEGCSA-N	-1	0	274.276	0.792	20	30		CCEDRM
C#Cc1ccccc1CC(=O)NCCOCC(=O)[O-]	ZINC001588439834	958324879	/nfs/dbraw/zinc/32/48/79/958324879.db2.gz	TYJJJQCADZDKSX-UHFFFAOYSA-N	-1	0	261.277	0.428	20	30		CCEDRM
C=C(C)C[C@@H](NC(C)=O)C(=O)NC[C@@H](C)C(=O)[O-]	ZINC001588442689	958347830	/nfs/dbraw/zinc/34/78/30/958347830.db2.gz	VFXNNIVCPLMVCP-PSASIEDQSA-N	-1	0	256.302	0.294	20	30		CCEDRM
C=C(C)C[C@H](CO)NC(=O)[C@@](C)(C#N)CC(=O)[O-]	ZINC001588443002	958349691	/nfs/dbraw/zinc/34/96/91/958349691.db2.gz	XEGVMEXPJIMWAO-BXKDBHETSA-N	-1	0	254.286	0.434	20	30		CCEDRM
C=C(C)[C@@H]1OCC[C@@H]1C(=O)O[C@@H]1CCN(CC(=O)[O-])C1=O	ZINC001588444614	958363219	/nfs/dbraw/zinc/36/32/19/958363219.db2.gz	KPBQBUUHEDGKRV-UMNHJUIQSA-N	-1	0	297.307	0.196	20	30		CCEDRM
C=C(CCC(=O)OC)C(=O)NC[C@H](C(=O)[O-])C(C)C	ZINC001588444668	958364395	/nfs/dbraw/zinc/36/43/95/958364395.db2.gz	NBGVKDLTHZTHOV-JTQLQIEISA-N	-1	0	271.313	0.969	20	30		CCEDRM
C=C[C@@H](O)C(=O)OCCOc1ccccc1C(=O)[O-]	ZINC001588453437	958437910	/nfs/dbraw/zinc/43/79/10/958437910.db2.gz	ZBZOHHUURLKOTF-SNVBAGLBSA-N	-1	0	266.249	0.854	20	30		CCEDRM
C#CCN(CC(=O)[O-])C(=O)N[C@H](CC)COCC1CC1	ZINC001573318634	958467186	/nfs/dbraw/zinc/46/71/86/958467186.db2.gz	YWCNLEGVCOCEIY-GFCCVEGCSA-N	-1	0	282.340	0.921	20	30		CCEDRM
C=CCCn1cc(CN2CC[C@H](C(=O)[O-])C2)nn1	ZINC001588460686	958477596	/nfs/dbraw/zinc/47/75/96/958477596.db2.gz	RYYHXMBYYZCPRE-JTQLQIEISA-N	-1	0	250.302	0.761	20	30		CCEDRM
C=CCN(CCOC)C(=O)c1cccn(CC(=O)[O-])c1=O	ZINC001588463266	958483202	/nfs/dbraw/zinc/48/32/02/958483202.db2.gz	JFCQFRHNUAAJLX-UHFFFAOYSA-N	-1	0	294.307	0.208	20	30		CCEDRM
C=CCNC(=O)[C@@H](C#N)C(=O)[C@H]1CC[C@@H](C(=O)[O-])C1	ZINC001588465450	958502687	/nfs/dbraw/zinc/50/26/87/958502687.db2.gz	KJONPMYHVDAYHW-AEJSXWLSSA-N	-1	0	264.281	0.498	20	30		CCEDRM
C=CCN1CC[C@H](OC(=O)C(C)(C)C(=O)[O-])C1=O	ZINC001588465645	958507110	/nfs/dbraw/zinc/50/71/10/958507110.db2.gz	VUCSUTBWIMHCED-QMMMGPOBSA-N	-1	0	255.270	0.427	20	30		CCEDRM
C=CCNC(=O)NC(=O)[C@H](C)S[C@@H](C)C(=O)[O-]	ZINC001588465660	958507292	/nfs/dbraw/zinc/50/72/92/958507292.db2.gz	WGVQSLYZUVMTBZ-BQBZGAKWSA-N	-1	0	260.315	0.593	20	30		CCEDRM
C=C(CCC(=O)OC)C(=O)N1C[C@H]2COC[C@@]2(C(=O)[O-])C1	ZINC001573329983	958515415	/nfs/dbraw/zinc/51/54/15/958515415.db2.gz	RBHYTEYHZFHMFU-HZMBPMFUSA-N	-1	0	297.307	0.055	20	30		CCEDRM
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CC[C@](COC)(C(=O)[O-])C1	ZINC001573330239	958516133	/nfs/dbraw/zinc/51/61/33/958516133.db2.gz	WUWLFUFSNCMEHD-HUBLWGQQSA-N	-1	0	297.351	0.917	20	30		CCEDRM
C=CCn1c(CO)nnc1N1CC[C@@H](C(=O)[O-])[C@@H](C)C1	ZINC001588471778	958537136	/nfs/dbraw/zinc/53/71/36/958537136.db2.gz	DAJPJVJYLSHOSZ-VHSXEESVSA-N	-1	0	280.328	0.503	20	30		CCEDRM
C=CCn1c(C[C@H](C)O)nnc1N1CC[C@@](C)(C(=O)[O-])C1	ZINC001588472120	958540452	/nfs/dbraw/zinc/54/04/52/958540452.db2.gz	JPOJEJRGUOHADP-IINYFYTJSA-N	-1	0	294.355	0.688	20	30		CCEDRM
C[C@@H]1CCN(C(=O)CSCC#N)[C@@H](C(=O)[O-])C1	ZINC000125438538	958564698	/nfs/dbraw/zinc/56/46/98/958564698.db2.gz	IEOHOAOWHUPRIH-RKDXNWHRSA-N	-1	0	256.327	0.955	20	30		CCEDRM
C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H](CCC(=O)OC)C(=O)[O-]	ZINC001588478603	958570331	/nfs/dbraw/zinc/57/03/31/958570331.db2.gz	RHHNNDUSVBXXPP-UTLUCORTSA-N	-1	0	285.296	0.100	20	30		CCEDRM
CC(=O)c1cnccc1NC(=O)[C@](C)(C#N)CC(=O)[O-]	ZINC001573359607	958585086	/nfs/dbraw/zinc/58/50/86/958585086.db2.gz	FAYWDVIPLOBPNZ-ZDUSSCGKSA-N	-1	0	275.264	0.649	20	30		CCEDRM
C[C@@](C#N)(CC(=O)[O-])C(=O)N1CCn2cccc2C1	ZINC001588539046	958949742	/nfs/dbraw/zinc/94/97/42/958949742.db2.gz	VBCFPNHRGQLRBC-ZDUSSCGKSA-N	-1	0	261.281	0.835	20	30		CCEDRM
C[C@](C#N)(CC(=O)[O-])C(=O)N[C@@H]1CCC[C@H]1CCO	ZINC001588539013	958949944	/nfs/dbraw/zinc/94/99/44/958949944.db2.gz	TWZPEPNSLFHJNT-OPQQBVKSSA-N	-1	0	268.313	0.658	20	30		CCEDRM
C[C@](C#N)(CC(=O)[O-])C(=O)NC[C@H](O)C1CCC1	ZINC001588539137	958951952	/nfs/dbraw/zinc/95/19/52/958951952.db2.gz	ZOUMKNMWZKIJRH-JOYOIKCWSA-N	-1	0	254.286	0.268	20	30		CCEDRM
C[C@@](C#N)(CC(=O)[O-])C(=O)OCc1nnc2n1CCCC2	ZINC001588543415	958978447	/nfs/dbraw/zinc/97/84/47/958978447.db2.gz	LKXYYFPOYCQTCZ-ZDUSSCGKSA-N	-1	0	292.295	0.662	20	30		CCEDRM
C[C@H](C#N)CNC(=O)NC[C@H]1CCC2(CC(C(=O)[O-])C2)O1	ZINC001588543450	958979222	/nfs/dbraw/zinc/97/92/22/958979222.db2.gz	MDWHZJPIZCIGGI-FQYCYVTBSA-N	-1	0	295.339	0.858	20	30		CCEDRM
C[C@@H](C#N)CN(C)S(=O)(=O)N([C@@H](C)C(=O)[O-])C1CC1	ZINC001588543590	958981259	/nfs/dbraw/zinc/98/12/59/958981259.db2.gz	OBFPPVULQSPLRL-IUCAKERBSA-N	-1	0	289.357	0.260	20	30		CCEDRM
C[C@H](C(=O)N1CCC[C@H](CC(=O)[O-])C1)n1cnc(C#N)n1	ZINC001588549611	959012551	/nfs/dbraw/zinc/01/25/51/959012551.db2.gz	ZIMSHYZWGJIGCR-NXEZZACHSA-N	-1	0	291.311	0.424	20	30		CCEDRM
C#CC[C@@H](NC(=O)c1cc([N+](=O)[O-])c[nH]1)C(=O)[O-]	ZINC000149615554	959019610	/nfs/dbraw/zinc/01/96/10/959019610.db2.gz	RWMHDBMFKJYOPM-SSDOTTSWSA-N	-1	0	251.198	0.129	20	30		CCEDRM
C#CC[C@@H](NC(=O)c1cnn(-c2ccccc2)n1)C(=O)[O-]	ZINC000149673484	959021019	/nfs/dbraw/zinc/02/10/19/959021019.db2.gz	SROKKRGHBSKCBD-LLVKDONJSA-N	-1	0	284.275	0.474	20	30		CCEDRM
C#CC[C@H](NC(=O)c1ccc2c(c1)OCC(=O)N2)C(=O)[O-]	ZINC000149734367	959025276	/nfs/dbraw/zinc/02/52/76/959025276.db2.gz	OAIRVCWUWRKNKE-JTQLQIEISA-N	-1	0	288.259	0.224	20	30		CCEDRM
CSC1([C@H](C#N)N(C)C(=O)COCC(=O)[O-])CC1	ZINC001594182047	959102952	/nfs/dbraw/zinc/10/29/52/959102952.db2.gz	WQLIATYEOMJJFK-QMMMGPOBSA-N	-1	0	272.326	0.334	20	30		CCEDRM
C#CC[C@@H](NS(=O)(=O)Cc1ccc(C#N)cc1)C(=O)[O-]	ZINC000159570221	959119293	/nfs/dbraw/zinc/11/92/93/959119293.db2.gz	WLDKWEDZPKMAGT-GFCCVEGCSA-N	-1	0	292.316	0.454	20	30		CCEDRM
C[C@@H](C(=O)[O-])C(=O)N1CC[C@H](Oc2ccc(C#N)cn2)C1	ZINC001588564292	959122326	/nfs/dbraw/zinc/12/23/26/959122326.db2.gz	FXXGXFUSCKERRR-KOLCDFICSA-N	-1	0	289.291	0.654	20	30		CCEDRM
C#CC[C@H](NS(=O)(=O)c1ccccc1C#N)C(=O)[O-]	ZINC000161249568	959178450	/nfs/dbraw/zinc/17/84/50/959178450.db2.gz	PRCVHIDFFZCJSO-JTQLQIEISA-N	-1	0	278.289	0.313	20	30		CCEDRM
C#CCN(C)S(=O)(=O)c1ccc(OC)cc1CC(=O)[O-]	ZINC000161816733	959195333	/nfs/dbraw/zinc/19/53/33/959195333.db2.gz	KWBAFFRVHFUFOE-UHFFFAOYSA-N	-1	0	297.332	0.576	20	30		CCEDRM
C=CCN(C(=O)NCCn1cc(C(=O)[O-])nn1)C1CC1	ZINC000162394125	959212918	/nfs/dbraw/zinc/21/29/18/959212918.db2.gz	DXGGUJWZVZJVAE-UHFFFAOYSA-N	-1	0	279.300	0.336	20	30		CCEDRM
C[C@@H](C(=O)[O-])C(=O)OCC(=O)N[C@](C)(C#N)C1CC1	ZINC001588579859	959243040	/nfs/dbraw/zinc/24/30/40/959243040.db2.gz	FSMNUMMTLOHBNN-JVXZTZIISA-N	-1	0	268.269	0.059	20	30		CCEDRM
C#CCN(C)S(=O)(=O)Cc1ccc(C(=O)[O-])cc1	ZINC000164448840	959256574	/nfs/dbraw/zinc/25/65/74/959256574.db2.gz	IBPPDLVZEFWRMW-UHFFFAOYSA-N	-1	0	267.306	0.780	20	30		CCEDRM
C[C@H](C(=O)[O-])c1noc(C2(C#N)CCOCC2)n1	ZINC001588603086	959453102	/nfs/dbraw/zinc/45/31/02/959453102.db2.gz	MPOWPACPFSUSHI-ZETCQYMHSA-N	-1	0	251.242	0.829	20	30		CCEDRM
CC(C)(C(=O)[O-])n1ccc(NCC(=O)NCCC#N)n1	ZINC001588625268	959570025	/nfs/dbraw/zinc/57/00/25/959570025.db2.gz	ISESNRFIDMSLLX-UHFFFAOYSA-N	-1	0	279.300	0.145	20	30		CCEDRM
C[C@](O)(CNC(=O)[C@H](CC#N)c1ccccc1)C(=O)[O-]	ZINC001573635112	959586837	/nfs/dbraw/zinc/58/68/37/959586837.db2.gz	ZVWHBLXSNXVFED-RISCZKNCSA-N	-1	0	276.292	0.636	20	30		CCEDRM
CC1(C)CCCN(C(=O)c2cn(CC(=O)[O-])nn2)[C@H]1C#N	ZINC001573667827	959710561	/nfs/dbraw/zinc/71/05/61/959710561.db2.gz	XDDOVJGFKODYKN-JTQLQIEISA-N	-1	0	291.311	0.517	20	30		CCEDRM
COCCN(CCC#N)C(=O)[C@H]1CC[C@@H](C(=O)[O-])O1	ZINC000222681916	959824965	/nfs/dbraw/zinc/82/49/65/959824965.db2.gz	XTBHUYFSLFYNOC-ZJUUUORDSA-N	-1	0	270.285	0.007	20	30		CCEDRM
C#CC[C@H](NS(=O)(=O)c1cnc(C)s1)C(=O)[O-]	ZINC000230100315	960127078	/nfs/dbraw/zinc/12/70/78/960127078.db2.gz	CDHZLRLSXKGRHV-ZETCQYMHSA-N	-1	0	274.323	0.206	20	30		CCEDRM
N#C[C@@H]1CSCCN1C(=O)[C@H]1CC[C@@H](C(=O)[O-])C1	ZINC001574240957	960462447	/nfs/dbraw/zinc/46/24/47/960462447.db2.gz	CATAQAXREGPUNJ-IVZWLZJFSA-N	-1	0	268.338	0.955	20	30		CCEDRM
N#C[C@@H]1CN(C(=O)NC[C@H]2C[C@H]2C(=O)[O-])CCN1C1CC1	ZINC001571045464	960620398	/nfs/dbraw/zinc/62/03/98/960620398.db2.gz	SGKGVYWAGSKHKU-YUSALJHKSA-N	-1	0	292.339	0.089	20	30		CCEDRM
Cc1cc(NCCOCCOCC(=O)[O-])c(C#N)cn1	ZINC001574343276	960948024	/nfs/dbraw/zinc/94/80/24/960948024.db2.gz	MZNYDCGJDXDTES-UHFFFAOYSA-N	-1	0	279.296	0.213	20	30		CCEDRM
CC(C)[C@@H](C#N)OC(=O)c1cc(C(=O)[O-])nn1C	ZINC001588801434	961425026	/nfs/dbraw/zinc/42/50/26/961425026.db2.gz	CGJFURAIMGGYDX-SECBINFHSA-N	-1	0	251.242	0.823	20	30		CCEDRM
Cn1ccc(NC(=O)[C@](C)(C#N)CC(=O)[O-])cc1=O	ZINC001574457032	961522347	/nfs/dbraw/zinc/52/23/47/961522347.db2.gz	ZYDZLXFUHCNPRL-LBPRGKRZSA-N	-1	0	263.253	0.328	20	30		CCEDRM
N#C[C@H]1C[C@H]1C(=O)N[C@@H](Cc1ccncc1)C(=O)[O-]	ZINC001574479635	961652467	/nfs/dbraw/zinc/65/24/67/961652467.db2.gz	MWESTTNIGYFAQC-MXWKQRLJSA-N	-1	0	259.265	0.353	20	30		CCEDRM
N#Cc1n[nH]cc1NC(=O)c1ccc(C(=O)[O-])nc1	ZINC001574479645	961652619	/nfs/dbraw/zinc/65/26/19/961652619.db2.gz	NGCWVQMULKEXDY-UHFFFAOYSA-N	-1	0	257.209	0.627	20	30		CCEDRM
N#Cc1cc(C(=O)N[C@H](Cc2ccncc2)C(=O)[O-])co1	ZINC001574479920	961654584	/nfs/dbraw/zinc/65/45/84/961654584.db2.gz	QNLOEDPELSMBDD-GFCCVEGCSA-N	-1	0	285.259	0.972	20	30		CCEDRM
N#CCCN(CCC#N)C(=O)[C@@H]1CO[C@@H](CCC(=O)[O-])C1	ZINC001574480261	961660508	/nfs/dbraw/zinc/66/05/08/961660508.db2.gz	CUVHFXGNMXPEOL-RYUDHWBXSA-N	-1	0	293.323	0.912	20	30		CCEDRM
N#CC[C@@H]1CCCN(C(=O)c2cn(CC(=O)[O-])nn2)C1	ZINC001574480366	961661857	/nfs/dbraw/zinc/66/18/57/961661857.db2.gz	HWRZVOHZPUPHMM-VIFPVBQESA-N	-1	0	277.284	0.129	20	30		CCEDRM
N#CC[C@H](NC(=O)[C@H]1CC(C(=O)[O-])=NO1)C(F)(F)F	ZINC001574481141	961669966	/nfs/dbraw/zinc/66/99/66/961669966.db2.gz	VHWLMDGPBJFMOY-RITPCOANSA-N	-1	0	279.174	0.177	20	30		CCEDRM
N#C[C@@]1(NC(=O)c2cc(C(=O)[O-])n[nH]2)CCSC1	ZINC001574481317	961671504	/nfs/dbraw/zinc/67/15/04/961671504.db2.gz	YWFWPTVQJBGVRV-JTQLQIEISA-N	-1	0	266.282	0.237	20	30		CCEDRM
N#Cc1ccc(C(=O)N2C[C@H]3COC[C@@]3(C(=O)[O-])C2)o1	ZINC001574486212	961683739	/nfs/dbraw/zinc/68/37/39/961683739.db2.gz	SLKGSLPRHATGNH-SDBXPKJASA-N	-1	0	276.248	0.324	20	30		CCEDRM
N#Cc1cccc([C@H](O)CN2CCO[C@H](C(=O)[O-])C2)c1	ZINC001574489588	961704846	/nfs/dbraw/zinc/70/48/46/961704846.db2.gz	KPYIYTLGYZKRGM-OLZOCXBDSA-N	-1	0	276.292	0.377	20	30		CCEDRM
N#Cc1sccc1C(=O)N1C[C@H]2COC[C@@]2(C(=O)[O-])C1	ZINC001574493424	961719550	/nfs/dbraw/zinc/71/95/50/961719550.db2.gz	LKQRESQQAKQVLJ-SDBXPKJASA-N	-1	0	292.316	0.793	20	30		CCEDRM
C[C@H](Oc1ccccc1C#N)C(=O)N[C@H](CF)C(=O)[O-]	ZINC000262832808	961898010	/nfs/dbraw/zinc/89/80/10/961898010.db2.gz	BLDVKMBSKJPOHF-WCBMZHEXSA-N	-1	0	280.255	0.864	20	30		CCEDRM
COC(=O)c1ccc(NC(=O)[C@@](C)(C#N)CC(=O)[O-])cn1	ZINC001574087646	962337696	/nfs/dbraw/zinc/33/76/96/962337696.db2.gz	WXJAPFLIYSTBBI-CYBMUJFWSA-N	-1	0	291.263	0.811	20	30		CCEDRM
C#CCCCCC(=O)N[C@H](C)CNC(=O)CNC(=O)[O-]	ZINC001573301405	962626164	/nfs/dbraw/zinc/62/61/64/962626164.db2.gz	ACYNIAMJDIBZTR-SNVBAGLBSA-N	-1	0	283.328	0.069	20	30		CCEDRM
C#CC[C@@H](NC(=O)Cn1ccc(=O)c2ccccc21)C(=O)[O-]	ZINC001573301782	962636262	/nfs/dbraw/zinc/63/62/62/962636262.db2.gz	FGYWUPHXXBRPDF-GFCCVEGCSA-N	-1	0	298.298	0.594	20	30		CCEDRM
C=C(C)C[C@H](NC(=O)c1cc(C(=O)[O-])no1)C(=O)OC	ZINC001573322343	962767888	/nfs/dbraw/zinc/76/78/88/962767888.db2.gz	XEKBPYSEBSCVBJ-QMMMGPOBSA-N	-1	0	282.252	0.610	20	30		CCEDRM
C#CCCN1CCN(C(=O)[C@H]2C[C@@H](C(=O)[O-])C2)CC1	ZINC001517397130	962783120	/nfs/dbraw/zinc/78/31/20/962783120.db2.gz	DFSLRGVHDDLKLC-TXEJJXNPSA-N	-1	0	264.325	0.265	20	30		CCEDRM
C[C@@H](CC(=O)[O-])NC(=O)C#Cc1ccc2c(c1)OCO2	ZINC001588994565	962830923	/nfs/dbraw/zinc/83/09/23/962830923.db2.gz	WIMLWWWELAGSJW-VIFPVBQESA-N	-1	0	275.260	0.746	20	30		CCEDRM
C=C(CO)C(=O)N[C@]1(C(=O)[O-])C[C@H](OCC)C1(C)C	ZINC001573340033	962898979	/nfs/dbraw/zinc/89/89/79/962898979.db2.gz	ZWOFJQMUQFZENY-ZANVPECISA-N	-1	0	271.313	0.310	20	30		CCEDRM
C=C[C@H](O)C(=O)Nc1nc2c(cccc2C(=O)[O-])[nH]1	ZINC001573348421	962959190	/nfs/dbraw/zinc/95/91/90/962959190.db2.gz	WUCODBFICKYZEV-QMMMGPOBSA-N	-1	0	261.237	0.747	20	30		CCEDRM
C=CCCC(=O)N(C)[C@@H](CNC(=O)CNC(=O)[O-])C1CC1	ZINC001573352395	962986326	/nfs/dbraw/zinc/98/63/26/962986326.db2.gz	BGNSYQIBQMTMAP-NSHDSACASA-N	-1	0	297.355	0.573	20	30		CCEDRM
C=CCCC(=O)N(C)C1CN(C(=O)[C@H]2C[C@@H]2C(=O)[O-])C1	ZINC001573353134	962997663	/nfs/dbraw/zinc/99/76/63/962997663.db2.gz	PNFBVZGFTUXSAV-QWRGUYRKSA-N	-1	0	280.324	0.343	20	30		CCEDRM
C[C@@H](C#N)CN(C)S(=O)(=O)N[C@H]1CCC[C@H]1C(=O)[O-]	ZINC001573362796	963046354	/nfs/dbraw/zinc/04/63/54/963046354.db2.gz	FPKBAPDMXWRNSJ-AEJSXWLSSA-N	-1	0	289.357	0.166	20	30		CCEDRM
N#Cc1cc(NC(=O)N[C@H]2C[C@H](C(=O)[O-])C2)ccn1	ZINC001570976543	963058351	/nfs/dbraw/zinc/05/83/51/963058351.db2.gz	LIZVAECMDLOHKD-XWEPSHTISA-N	-1	0	260.253	0.938	20	30		CCEDRM
C#C[C@@H](NC(=O)N1CCO[C@H](CC(=O)[O-])C1)C(C)C	ZINC000302324457	963073945	/nfs/dbraw/zinc/07/39/45/963073945.db2.gz	KCCPHMPUZNGOCN-GHMZBOCLSA-N	-1	0	268.313	0.529	20	30		CCEDRM
CC[C@H](NS(=O)(=O)c1ccc(C#N)cn1)C(=O)[O-]	ZINC001570992755	963164310	/nfs/dbraw/zinc/16/43/10/963164310.db2.gz	TYFGMCFIDUXXFV-QMMMGPOBSA-N	-1	0	269.282	0.095	20	30		CCEDRM
N#CC[C@@H](C(=O)NC[C@H](O)CC(=O)[O-])c1ccccc1	ZINC001571005766	963243874	/nfs/dbraw/zinc/24/38/74/963243874.db2.gz	ZDABSIYVGBTNGO-VXGBXAGGSA-N	-1	0	276.292	0.636	20	30		CCEDRM
COC(=O)[C@H]1C[C@H](C(=O)[O-])CCN1C(=O)[C@@H]1C[C@@H]1C#N	ZINC001571013489	963299376	/nfs/dbraw/zinc/29/93/76/963299376.db2.gz	JSFFYAVLVSEELL-ZYUZMQFOSA-N	-1	0	280.280	0.011	20	30		CCEDRM
CC[C@H](COC)NC(=O)N1CCC(C#N)(C(=O)[O-])CC1	ZINC001571024515	963358555	/nfs/dbraw/zinc/35/85/55/963358555.db2.gz	GFGSQYFSWKZSJV-SNVBAGLBSA-N	-1	0	283.328	0.811	20	30		CCEDRM
N#CCCN1CCN(C(=O)[C@H]2CCC[C@@H](C(=O)[O-])C2)CC1	ZINC000314624754	963779631	/nfs/dbraw/zinc/77/96/31/963779631.db2.gz	KWLANRFUWMJIPA-QWHCGFSZSA-N	-1	0	293.367	0.935	20	30		CCEDRM
C#CCCCC(=O)N(CC)CCNC(=O)[C@@H]1C[C@H]1C(=O)[O-]	ZINC001588435283	964019878	/nfs/dbraw/zinc/01/98/78/964019878.db2.gz	JCWJUPLKWUAJDH-VXGBXAGGSA-N	-1	0	294.351	0.475	20	30		CCEDRM
C#CCCCC(=O)N1C[C@@H](C(=O)OC)CC[C@@H]1C(=O)[O-]	ZINC001588435325	964019928	/nfs/dbraw/zinc/01/99/28/964019928.db2.gz	LQNUZWLVYVMDHG-WDEREUQCSA-N	-1	0	281.308	0.655	20	30		CCEDRM
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C#Cc1ccccc1CC(=O)NC1(C(=O)[O-])CCOCC1	ZINC001588439940	964032931	/nfs/dbraw/zinc/03/29/31/964032931.db2.gz	WCUXJFVPFWBYRN-UHFFFAOYSA-N	-1	0	287.315	0.960	20	30		CCEDRM
C#CCCCCC(=O)N[C@H](CC1OCCO1)C(=O)[O-]	ZINC001588440222	964035348	/nfs/dbraw/zinc/03/53/48/964035348.db2.gz	OGMUQLBOKHIOLN-SNVBAGLBSA-N	-1	0	269.297	0.512	20	30		CCEDRM
C#CCCCCCC(=O)N1C[C@H](O)C[C@@H]1C(=O)[O-]	ZINC001588440668	964042598	/nfs/dbraw/zinc/04/25/98/964042598.db2.gz	HVKMCDNGQOZTKT-GHMZBOCLSA-N	-1	0	253.298	0.617	20	30		CCEDRM
C=C(C)CCC(=O)N1CCS(=O)(=O)C[C@@H]1C(=O)[O-]	ZINC001588443104	964059636	/nfs/dbraw/zinc/05/96/36/964059636.db2.gz	YBDMJCHIPVLKCK-SECBINFHSA-N	-1	0	275.326	0.053	20	30		CCEDRM
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CN(CCC(=O)[O-])c1ncc(C#N)cc1[N+](=O)[O-]	ZINC000234302353	967753931	/nfs/dbraw/zinc/75/39/31/967753931.db2.gz	GCOOCKUUWPTUTK-UHFFFAOYSA-N	-1	0	250.214	0.772	20	30		CCEDRM
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CC[C@H](NC(=O)[C@@](C)(C#N)CC(=O)[O-])[C@H](O)C(C)C	ZINC001610132632	970678920	/nfs/dbraw/zinc/67/89/20/970678920.db2.gz	BOVLRHHJPNDXQZ-UFGOTCBOSA-N	-1	0	270.329	0.903	20	30		CCEDRM
C[C@]1(C#N)CN(C(=O)CCCCC(=O)[O-])CCO1	ZINC001603290208	972543687	/nfs/dbraw/zinc/54/36/87/972543687.db2.gz	FIBMCRNROLPLAC-LBPRGKRZSA-N	-1	0	254.286	0.772	20	30		CCEDRM
C[C@@H]1OCC[C@]12CN(C(=O)[C@](C)(C#N)CC(=O)[O-])CCO2	ZINC001603479890	973379669	/nfs/dbraw/zinc/37/96/69/973379669.db2.gz	KOEVKCIHMJDCJH-BPNCWPANSA-N	-1	0	296.323	0.397	20	30		CCEDRM
C#CCCCCNC(=O)N1C[C@@H](O)C[C@H](C(=O)[O-])C1	ZINC000401833010	973431041	/nfs/dbraw/zinc/43/10/41/973431041.db2.gz	JOGXXXABTNBGMN-QWRGUYRKSA-N	-1	0	268.313	0.267	20	30		CCEDRM
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N#CC[C@]1(O)CCN(C(=O)C2(C(=O)[O-])CCC2)C1	ZINC001605581819	973862311	/nfs/dbraw/zinc/86/23/11/973862311.db2.gz	NHTCPAOHQWXAIH-NSHDSACASA-N	-1	0	252.270	0.118	20	30		CCEDRM
N#CC[C@H]1CCCN([C@H]2CCN(CC(=O)[O-])C2=O)C1	ZINC001605582036	973864269	/nfs/dbraw/zinc/86/42/69/973864269.db2.gz	SBRZSUBVJISWAA-MNOVXSKESA-N	-1	0	265.313	0.298	20	30		CCEDRM
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N#CCN1CCC(NC(=O)C2(C(=O)[O-])CC=CC2)CC1	ZINC001605585755	973877528	/nfs/dbraw/zinc/87/75/28/973877528.db2.gz	HOLYNYOGDKGSLP-UHFFFAOYSA-N	-1	0	277.324	0.512	20	30		CCEDRM
N#CCc1ccc(CNC(=O)c2cn(CC(=O)[O-])nn2)cc1	ZINC001605601504	973905072	/nfs/dbraw/zinc/90/50/72/973905072.db2.gz	OLWHQJXYAZUUHO-UHFFFAOYSA-N	-1	0	299.290	0.359	20	30		CCEDRM
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N#Cc1cn(CC(=O)[O-])c(=O)n(CC2CC(F)(F)C2)c1=O	ZINC001605622848	973944654	/nfs/dbraw/zinc/94/46/54/973944654.db2.gz	DYZFHQIPKMFXCO-UHFFFAOYSA-N	-1	0	299.233	0.012	20	30		CCEDRM
N#Cc1csc(CNC(=O)CCCC(=O)[O-])n1	ZINC001605626439	973954589	/nfs/dbraw/zinc/95/45/89/973954589.db2.gz	JJVYTPHKLJRVQN-UHFFFAOYSA-N	-1	0	253.283	0.886	20	30		CCEDRM
COc1cccc2c1NC(=O)C2=NNCCC(=O)[O-]	ZINC001604876754	974129826	/nfs/dbraw/zinc/12/98/26/974129826.db2.gz	OHZAOHKYSOMGDV-UHFFFAOYSA-N	-1	0	263.253	0.416	20	30		CCEDRM
CC(C)NC(=S)NN=C1CCCn2nc(C(=O)[O-])cc21	ZINC001591661044	975399976	/nfs/dbraw/zinc/39/99/76/975399976.db2.gz	UTFBCRCGLOXXCQ-UHFFFAOYSA-N	-1	0	295.368	0.952	20	30		CCEDRM
CC(C)c1nccn1CC(=O)N(CC#N)CCC(=O)[O-]	ZINC001592037559	976755373	/nfs/dbraw/zinc/75/53/73/976755373.db2.gz	RYCUSKVTVZIKRJ-UHFFFAOYSA-N	-1	0	278.312	0.833	20	30		CCEDRM
C[C@H](/C=C/C(=O)[O-])NC(=O)CC1(C#N)CCOCC1	ZINC001592189986	977122491	/nfs/dbraw/zinc/12/24/91/977122491.db2.gz	CDVUWORQWGAEBF-VMZHVLLKSA-N	-1	0	266.297	0.842	20	30		CCEDRM
C[C@@H](/C=C\C(=O)[O-])NC(=O)C1(C#N)CCOCC1	ZINC001592191699	977135706	/nfs/dbraw/zinc/13/57/06/977135706.db2.gz	CMPBDYDIIJYJCR-XADBCAIWSA-N	-1	0	252.270	0.452	20	30		CCEDRM
CC[C@H](CC#N)NC(=O)Nc1cc(C(=O)[O-])n(C)n1	ZINC001595029704	979159862	/nfs/dbraw/zinc/15/98/62/979159862.db2.gz	DPCGLRSKVWSCFQ-SSDOTTSWSA-N	-1	0	265.273	0.932	20	30		CCEDRM
CC[C@@H](CC#N)N[C@H](C)C(=O)N1CCC(C(=O)[O-])CC1	ZINC001595030286	979165849	/nfs/dbraw/zinc/16/58/49/979165849.db2.gz	NNVHEQZOTXDMFV-PWSUYJOCSA-N	-1	0	281.356	0.980	20	30		CCEDRM
CC[C@H](CC#N)N[C@H](C)C(=O)N1CCC(C(=O)[O-])CC1	ZINC001595030287	979166157	/nfs/dbraw/zinc/16/61/57/979166157.db2.gz	NNVHEQZOTXDMFV-ZYHUDNBSSA-N	-1	0	281.356	0.980	20	30		CCEDRM
CC[C@H](CC#N)NC(=O)Cn1cc(C(=O)[O-])cn1	ZINC001595030561	979168097	/nfs/dbraw/zinc/16/80/97/979168097.db2.gz	SHJHTFFDFVPWBU-SECBINFHSA-N	-1	0	250.258	0.390	20	30		CCEDRM
C[C@](CO)(NC(=O)c1cc(C#N)ccc1Cl)C(=O)[O-]	ZINC001592738660	979265059	/nfs/dbraw/zinc/26/50/59/979265059.db2.gz	FLCVHHSHBBGDLU-GFCCVEGCSA-N	-1	0	282.683	0.777	20	30		CCEDRM
C[C@@H](CS(=O)(=O)Oc1cccnc1C#N)C(=O)[O-]	ZINC001592814520	979503054	/nfs/dbraw/zinc/50/30/54/979503054.db2.gz	SXPFYZKYNBPGDQ-ZETCQYMHSA-N	-1	0	270.266	0.383	20	30		CCEDRM
CC[C@@](COC)(NCC(=O)N[C@](C)(C#N)C(C)C)C(=O)[O-]	ZINC001595195807	979917512	/nfs/dbraw/zinc/91/75/12/979917512.db2.gz	ZGBHSYRKYDVIKD-KGLIPLIRSA-N	-1	0	299.371	0.510	20	30		CCEDRM
CC[C@H](OC(=O)[C@@H](C)n1cnc(C#N)n1)[C@@H](C)C(=O)[O-]	ZINC001595338714	980608460	/nfs/dbraw/zinc/60/84/60/980608460.db2.gz	YUDHOJMPHGNKQJ-HLTSFMKQSA-N	-1	0	280.284	0.753	20	30		CCEDRM
CC[C@](C)(C#N)C(=O)NCCn1cc(C(=O)[O-])nn1	ZINC001594778687	981780590	/nfs/dbraw/zinc/78/05/90/981780590.db2.gz	YXGMDNIQGHMMQT-LLVKDONJSA-N	-1	0	265.273	0.032	20	30		CCEDRM
CC[C@@H](C)[C@@H](NC(=O)CN1CCC(C#N)CC1)C(=O)[O-]	ZINC001594892233	982294171	/nfs/dbraw/zinc/29/41/71/982294171.db2.gz	PGLWVSDGDPFXNH-ZWNOBZJWSA-N	-1	0	281.356	0.837	20	30		CCEDRM
CC[C@H](C)[C@H](NC(=O)CN1CCO[C@](C)(C#N)C1)C(=O)[O-]	ZINC001594892652	982297977	/nfs/dbraw/zinc/29/79/77/982297977.db2.gz	CHHLMCXQIOFGOR-VHRBIJSZSA-N	-1	0	297.355	0.216	20	30		CCEDRM
CC[C@H](C)[C@H](NC(=O)CN1CC[C@@](F)(C#N)C1)C(=O)[O-]	ZINC001594893919	982313486	/nfs/dbraw/zinc/31/34/86/982313486.db2.gz	XQDRFGQZLLNRCZ-XHVZSJERSA-N	-1	0	285.319	0.539	20	30		CCEDRM
C#C[C@H](C)NC(=O)N1CCC(O)(C2(C(=O)[O-])CCC2)CC1	ZINC001588368150	983303372	/nfs/dbraw/zinc/30/33/72/983303372.db2.gz	HILRKECIYVKYCM-NSHDSACASA-N	-1	0	294.351	0.800	20	30		CCEDRM
C#C[C@H](C)NS(=O)(=O)c1ccc(C)cc1C(=O)[O-]	ZINC001588368161	983303384	/nfs/dbraw/zinc/30/33/84/983303384.db2.gz	HNLYBRLFTSBTSP-VIFPVBQESA-N	-1	0	267.306	0.993	20	30		CCEDRM
C#C[C@H](NC(=O)N1CCC[C@H]1CC(=O)[O-])[C@H]1CCCO1	ZINC001588372295	983329803	/nfs/dbraw/zinc/32/98/03/983329803.db2.gz	HRCADVABUUUHOE-SDDRHHMPSA-N	-1	0	280.324	0.816	20	30		CCEDRM
C#C[C@H](NC(=O)N1C[C@H]2[C@H](C(=O)[O-])[C@H]2C1)C(C)C	ZINC001588372752	983333702	/nfs/dbraw/zinc/33/37/02/983333702.db2.gz	SAJRPTSEUXIEMH-ZRUFSTJUSA-N	-1	0	250.298	0.616	20	30		CCEDRM
C#CC1(F)CN(C(=O)N[C@H]2CC[C@@H](CC(=O)[O-])C2)C1	ZINC001588375521	983345330	/nfs/dbraw/zinc/34/53/30/983345330.db2.gz	AEAMKXNWVNJNQK-ZJUUUORDSA-N	-1	0	268.288	0.997	20	30		CCEDRM
C#CC1(F)CN(c2ncnc(C(=O)[O-])c2OC)C1	ZINC001588375681	983346384	/nfs/dbraw/zinc/34/63/84/983346384.db2.gz	FUKHYGHYDHKQGN-UHFFFAOYSA-N	-1	0	251.217	0.345	20	30		CCEDRM
C#C[C@H](OC(=O)Cn1cccc(C(=O)[O-])c1=O)C1CC1	ZINC001588375634	983346567	/nfs/dbraw/zinc/34/65/67/983346567.db2.gz	DOHJANWSRMXWEK-NSHDSACASA-N	-1	0	275.260	0.502	20	30		CCEDRM
C#CC1(O)CN(C(=O)[C@@]2(C(=O)[O-])C[C@@H]2c2ccccc2)C1	ZINC001588380017	983367065	/nfs/dbraw/zinc/36/70/65/983367065.db2.gz	XZMNWTGXKRUTBQ-MLGOLLRUSA-N	-1	0	285.299	0.451	20	30		CCEDRM
C#CC1(O)CN([C@H](C(=O)[O-])c2cccc(OC)c2)C1	ZINC001588382112	983368690	/nfs/dbraw/zinc/36/86/90/983368690.db2.gz	GRSIYAGHTNDPMZ-LBPRGKRZSA-N	-1	0	261.277	0.501	20	30		CCEDRM
C#CC1CCN(S(=O)(=O)C[C@@H](C)C(=O)[O-])CC1	ZINC001588382964	983375792	/nfs/dbraw/zinc/37/57/92/983375792.db2.gz	LNLUMTXKLKREFS-SECBINFHSA-N	-1	0	259.327	0.382	20	30		CCEDRM
C#CCC(CC#C)C(=O)OCCCC(=O)C(=O)[O-]	ZINC001588390623	983395465	/nfs/dbraw/zinc/39/54/65/983395465.db2.gz	ZCHSSWPNCOXMLC-UHFFFAOYSA-N	-1	0	250.250	0.626	20	30		CCEDRM
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C#CC[C@@H](NC(=O)CCc1cncs1)C(=O)[O-]	ZINC001588405060	983420500	/nfs/dbraw/zinc/42/05/00/983420500.db2.gz	KMBDLPZZBAQIIK-SECBINFHSA-N	-1	0	252.295	0.668	20	30		CCEDRM
C#CC[C@@H](NC(=O)c1ccc2nnc(C)n2c1)C(=O)[O-]	ZINC001588416989	983437886	/nfs/dbraw/zinc/43/78/86/983437886.db2.gz	UBOCRYLPUSIVLE-SNVBAGLBSA-N	-1	0	272.264	0.244	20	30		CCEDRM
C#CC[C@H](NC(=O)c1cn2nccc2nc1C)C(=O)[O-]	ZINC001588417070	983438337	/nfs/dbraw/zinc/43/83/37/983438337.db2.gz	WSZFXMPPGLMLDE-JTQLQIEISA-N	-1	0	272.264	0.244	20	30		CCEDRM
C#CC[C@@H](NS(=O)(=O)C[C@@H]1CCC1(F)F)C(=O)[O-]	ZINC001588423260	983451665	/nfs/dbraw/zinc/45/16/65/983451665.db2.gz	BAOYNLADCPTZEN-JGVFFNPUSA-N	-1	0	281.280	0.428	20	30		CCEDRM
C#CC[C@@H](NS(=O)(=O)CC1CC2(CCC2)C1)C(=O)[O-]	ZINC001588423310	983452370	/nfs/dbraw/zinc/45/23/70/983452370.db2.gz	CPILBQZLIJPWMS-LLVKDONJSA-N	-1	0	285.365	0.963	20	30		CCEDRM
C#CC[C@H](NS(=O)(=O)c1ccccc1N)C(=O)[O-]	ZINC001588428240	983460498	/nfs/dbraw/zinc/46/04/98/983460498.db2.gz	GSESUYPFNGSVGI-VIFPVBQESA-N	-1	0	268.294	0.024	20	30		CCEDRM
C#CCC1(O)CCN(C(=O)[C@H]2C[C@@H](C(=O)[O-])C2)CC1	ZINC001588431464	983465070	/nfs/dbraw/zinc/46/50/70/983465070.db2.gz	JBUKXPVRGXLDDA-PHIMTYICSA-N	-1	0	265.309	0.474	20	30		CCEDRM
C#CCCOc1ccc(C(=O)N[C@@H](CO)C(=O)[O-])cc1	ZINC001588456119	983481573	/nfs/dbraw/zinc/48/15/73/983481573.db2.gz	ZPOTZGNBPASGCV-LBPRGKRZSA-N	-1	0	277.276	0.264	20	30		CCEDRM
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C#CCN(C)S(=O)(=O)Cc1ccccc1C(=O)[O-]	ZINC001588463606	983491897	/nfs/dbraw/zinc/49/18/97/983491897.db2.gz	DIYLGVNNGJLDQL-UHFFFAOYSA-N	-1	0	267.306	0.780	20	30		CCEDRM
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C#CCN1CCCN(C(=O)c2ccc(C(=O)[O-])n2C)CC1	ZINC001588477140	983514572	/nfs/dbraw/zinc/51/45/72/983514572.db2.gz	KORLYIVILOEONJ-UHFFFAOYSA-N	-1	0	289.335	0.504	20	30		CCEDRM
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C#CCNC(=O)CCn1nc(C(=O)[O-])c2c1CCCC2	ZINC001588483772	983521900	/nfs/dbraw/zinc/52/19/00/983521900.db2.gz	HZLVTFXXQSDUKV-UHFFFAOYSA-N	-1	0	275.308	0.600	20	30		CCEDRM
C#CCOCCN(C)CC(=O)Nc1ccsc1C(=O)[O-]	ZINC001588489655	983528695	/nfs/dbraw/zinc/52/86/95/983528695.db2.gz	IPHKQRFRDFQVBA-UHFFFAOYSA-N	-1	0	296.348	0.966	20	30		CCEDRM
C#CCO[C@@H](C)C(=O)N1CC[C@@H](C(=O)[O-])[C@@H](C)C1	ZINC001588490827	983534595	/nfs/dbraw/zinc/53/45/95/983534595.db2.gz	ZKCZTTFYOAYZEP-GARJFASQSA-N	-1	0	253.298	0.594	20	30		CCEDRM
C#CCOc1ccc(C(=O)N[C@@H](CF)C(=O)[O-])cc1	ZINC001588499388	983545910	/nfs/dbraw/zinc/54/59/10/983545910.db2.gz	YLMDISNSYWOXBC-NSHDSACASA-N	-1	0	265.240	0.851	20	30		CCEDRM
CCN([C@H](C)C#N)S(=O)(=O)c1cc(C(=O)[O-])cn1C	ZINC001596177817	983546681	/nfs/dbraw/zinc/54/66/81/983546681.db2.gz	HWVSYSNYIZHSGF-MRVPVSSYSA-N	-1	0	285.325	0.646	20	30		CCEDRM
C#CCSCC(=O)N(C)[C@@H](COC1CCC1)C(=O)[O-]	ZINC001588504509	983547819	/nfs/dbraw/zinc/54/78/19/983547819.db2.gz	CFFUTNDMPSXKPP-NSHDSACASA-N	-1	0	285.365	0.834	20	30		CCEDRM
C=C(C)C[C@@H](CO)NC(=O)c1cccc(C(=O)[O-])n1	ZINC001588537589	983600884	/nfs/dbraw/zinc/60/08/84/983600884.db2.gz	SWSDQIBNMNDIMN-VIFPVBQESA-N	-1	0	264.281	0.837	20	30		CCEDRM
C=C(C)C[C@@H](NC(=O)[C@@H](C)n1ccnc1)C(=O)[O-]	ZINC001588537784	983602135	/nfs/dbraw/zinc/60/21/35/983602135.db2.gz	YDSHIAOREWOIBQ-NXEZZACHSA-N	-1	0	251.286	0.980	20	30		CCEDRM
C=C(C)C[C@H](NC(=O)CCC(=O)N1CCOCC1)C(=O)[O-]	ZINC001588540483	983603987	/nfs/dbraw/zinc/60/39/87/983603987.db2.gz	HHOCXUJSPOIAAY-NSHDSACASA-N	-1	0	298.339	0.161	20	30		CCEDRM
C=C(C)C[C@@H](NC(=O)CN1CCCC1=O)C(=O)[O-]	ZINC001588543239	983611076	/nfs/dbraw/zinc/61/10/76/983611076.db2.gz	ZFQRQNCAXOGDDV-SECBINFHSA-N	-1	0	254.286	0.144	20	30		CCEDRM
C=C(C)C[C@@H](NC(C)=O)C(=O)NC1CC(C(=O)[O-])C1	ZINC001588547232	983619241	/nfs/dbraw/zinc/61/92/41/983619241.db2.gz	IFTFPPAOYONKQZ-VQXHTEKXSA-N	-1	0	268.313	0.437	20	30		CCEDRM
C=C(C)C[C@H]([NH2+]Cc1cc(C(=O)[O-])nn1C)C(=O)[O-]	ZINC001588553745	983628485	/nfs/dbraw/zinc/62/84/85/983628485.db2.gz	QXCQYNPULRGGHR-VIFPVBQESA-N	-1	0	267.285	0.627	20	30		CCEDRM
C=C(C)C[C@@H](Nc1cc(=O)n(C)c(=O)[nH]1)C(=O)[O-]	ZINC001588555442	983635194	/nfs/dbraw/zinc/63/51/94/983635194.db2.gz	IVWMBZLTNMOLQS-SSDOTTSWSA-N	-1	0	253.258	0.317	20	30		CCEDRM
C=C(C)C[C@H](Nc1cc(C(N)=O)ncn1)C(=O)[O-]	ZINC001588555563	983635777	/nfs/dbraw/zinc/63/57/77/983635777.db2.gz	MDMXDWOACMVBPL-QMMMGPOBSA-N	-1	0	250.258	0.407	20	30		CCEDRM
C=C(C)C[C@H](NS(=O)(=O)c1cnn(C)c1)C(=O)[O-]	ZINC001588555627	983636028	/nfs/dbraw/zinc/63/60/28/983636028.db2.gz	NRMKLTOZANCDJS-VIFPVBQESA-N	-1	0	273.314	0.118	20	30		CCEDRM
C=C(CC)C(=O)N1C[C@H](C(=O)OC)[C@H](C(=O)[O-])C1	ZINC001588605585	983693468	/nfs/dbraw/zinc/69/34/68/983693468.db2.gz	HKWPDKJUHXHLBL-BDAKNGLRSA-N	-1	0	255.270	0.285	20	30		CCEDRM
C=C(CC(C)C)C(=O)N1C[C@H](O)C[C@@H](C(=O)[O-])C1	ZINC001588606355	983697260	/nfs/dbraw/zinc/69/72/60/983697260.db2.gz	YTMVXQBGOAHAFF-GHMZBOCLSA-N	-1	0	255.314	0.883	20	30		CCEDRM
C=C(CCC(=O)[O-])C(=O)N(C)CCCC(=O)OC	ZINC001588607314	983700573	/nfs/dbraw/zinc/70/05/73/983700573.db2.gz	YYUFXKNPMKHGNK-UHFFFAOYSA-N	-1	0	257.286	0.819	20	30		CCEDRM
C=C(CCC(=O)[O-])C(=O)N1CCC[C@@H](CC(N)=O)C1	ZINC001588614088	983706616	/nfs/dbraw/zinc/70/66/16/983706616.db2.gz	LLPPIUPWKBCKFK-JTQLQIEISA-N	-1	0	268.313	0.521	20	30		CCEDRM
C=C(CCC(=O)[O-])C(=O)N1CCO[C@](C)(C(=O)OCC)C1	ZINC001588615040	983709769	/nfs/dbraw/zinc/70/97/69/983709769.db2.gz	IFOJFUGUYXYLFO-AWEZNQCLSA-N	-1	0	299.323	0.588	20	30		CCEDRM
C=C(CCC(=O)[O-])C(=O)N1CCCS(=O)(=O)CC1	ZINC001588615302	983711387	/nfs/dbraw/zinc/71/13/87/983711387.db2.gz	PTKSDSBSOKWBSM-UHFFFAOYSA-N	-1	0	275.326	0.055	20	30		CCEDRM
C=C(CCC(=O)[O-])C(=O)N1C[C@@H](C)O[C@H](C(=O)OC)C1	ZINC001588619199	983715397	/nfs/dbraw/zinc/71/53/97/983715397.db2.gz	NPXQLEODNPOVQN-ZJUUUORDSA-N	-1	0	285.296	0.196	20	30		CCEDRM
C=C(CCC(=O)[O-])C(=O)N[C@@](CC)(COC)C(=O)OC	ZINC001588622506	983724032	/nfs/dbraw/zinc/72/40/32/983724032.db2.gz	ZXZRXHYNSQATSR-ZDUSSCGKSA-N	-1	0	287.312	0.492	20	30		CCEDRM
C=C(CCC(=O)[O-])C(=O)NCCc1ccc(O)c(CO)c1	ZINC001588624811	983734945	/nfs/dbraw/zinc/73/49/45/983734945.db2.gz	XILSYNDCWOFNFI-UHFFFAOYSA-N	-1	0	293.319	0.964	20	30		CCEDRM
C=C(CCC(=O)[O-])C(=O)NCCCN1CCCCC1=O	ZINC001588624884	983735465	/nfs/dbraw/zinc/73/54/65/983735465.db2.gz	ZMAGDQLFPGAUQH-UHFFFAOYSA-N	-1	0	282.340	0.926	20	30		CCEDRM
C=C(CCC(=O)[O-])C(=O)NCc1cccn(CC)c1=O	ZINC001588629494	983737875	/nfs/dbraw/zinc/73/78/75/983737875.db2.gz	CIHDUVHCMZETQX-UHFFFAOYSA-N	-1	0	278.308	0.905	20	30		CCEDRM
C=C(CCC(=O)OC)C(=O)N1CCO[C@H](CC(=O)[O-])C1	ZINC001588632865	983746468	/nfs/dbraw/zinc/74/64/68/983746468.db2.gz	CVFCLCAYMAPHJU-SNVBAGLBSA-N	-1	0	285.296	0.198	20	30		CCEDRM
C=C(CCC(=O)OC)C(=O)N[C@](CC)(COC)C(=O)[O-]	ZINC001588633374	983749164	/nfs/dbraw/zinc/74/91/64/983749164.db2.gz	LXCXQXFCLFKKMB-CYBMUJFWSA-N	-1	0	287.312	0.492	20	30		CCEDRM
C=C(CO)C(=O)N1CCC[C@](O)(C2(C(=O)[O-])CCC2)C1	ZINC001588637020	983758025	/nfs/dbraw/zinc/75/80/25/983758025.db2.gz	CKURBEIMIRROAT-CQSZACIVSA-N	-1	0	283.324	0.143	20	30		CCEDRM
C=C(CO)C(=O)N[C@H](Cc1ccccc1O)C(=O)[O-]	ZINC001588637832	983761485	/nfs/dbraw/zinc/76/14/85/983761485.db2.gz	WQVDYIQAVKGPDV-SNVBAGLBSA-N	-1	0	265.265	0.053	20	30		CCEDRM
C=C[C@@H](C(=O)[O-])N1CCN(C(=O)c2cccc(O)c2)CC1	ZINC001588668914	983807244	/nfs/dbraw/zinc/80/72/44/983807244.db2.gz	COMXKPQHPAPBJA-ZDUSSCGKSA-N	-1	0	290.319	0.789	20	30		CCEDRM
C=C[C@H](C(=O)[O-])N1CCO[C@H](C(=O)OC(C)(C)C)C1	ZINC001588669708	983814262	/nfs/dbraw/zinc/81/42/62/983814262.db2.gz	NTLHWFCACPIXKF-ZJUUUORDSA-N	-1	0	271.313	0.668	20	30		CCEDRM
C=C[C@](C)(O)C(=O)NCc1ccnc(C(=O)[O-])c1	ZINC001588681977	983842241	/nfs/dbraw/zinc/84/22/41/983842241.db2.gz	HFYXBXUGOUHDKC-LBPRGKRZSA-N	-1	0	250.254	0.333	20	30		CCEDRM
C=C[C@](C)(CCOC)C(=O)N[C@H](C(=O)[O-])[C@@H](C)O	ZINC001588682565	983844068	/nfs/dbraw/zinc/84/40/68/983844068.db2.gz	NVAIIAIWNVYTRM-VDDIYKPWSA-N	-1	0	259.302	0.165	20	30		CCEDRM
C=C[C@](C)(O)CC(=O)N(CCC(=O)[O-])C[C@H]1CCCO1	ZINC001588684757	983863374	/nfs/dbraw/zinc/86/33/74/983863374.db2.gz	XQWLPQIQQXVJCD-RISCZKNCSA-N	-1	0	285.340	0.796	20	30		CCEDRM
C=C[C@@H](C)ONC(=O)Cc1ccc(C(=O)[O-])nc1	ZINC001588686714	983865856	/nfs/dbraw/zinc/86/58/56/983865856.db2.gz	CGZVYFKBIMLIAF-MRVPVSSYSA-N	-1	0	250.254	0.945	20	30		CCEDRM
C=C[C@H](CC)CC(=O)N1CCS(=O)(=O)C[C@H]1C(=O)[O-]	ZINC001588691382	983880736	/nfs/dbraw/zinc/88/07/36/983880736.db2.gz	ZJRUYZATLGYOHG-ZJUUUORDSA-N	-1	0	289.353	0.299	20	30		CCEDRM
C=C[C@H](COC)NC(=O)N1CC[C@H](C(=O)[O-])[C@H]1C	ZINC001588692574	983883691	/nfs/dbraw/zinc/88/36/91/983883691.db2.gz	FAEOEZKKVARIGE-BBBLOLIVSA-N	-1	0	256.302	0.692	20	30		CCEDRM
C=C[C@@H](COC)NC(=O)c1ccc(C(=O)[O-])nc1	ZINC001588693234	983891920	/nfs/dbraw/zinc/89/19/20/983891920.db2.gz	UMUQQBPXHDXCFP-VIFPVBQESA-N	-1	0	250.254	0.711	20	30		CCEDRM
C=C[C@H](N[C@@H](Cc1ccccc1)C(=O)OC)C(=O)[O-]	ZINC001588697202	983904295	/nfs/dbraw/zinc/90/42/95/983904295.db2.gz	RZBFTBFHIZWWTI-RYUDHWBXSA-N	-1	0	263.293	1.000	20	30		CCEDRM
C=C[C@@H](O)C(=O)N[C@@H](C(=O)[O-])c1ccc(OC)cc1OC	ZINC001588703928	983923166	/nfs/dbraw/zinc/92/31/66/983923166.db2.gz	BAXGHSUIILWHPO-ZYHUDNBSSA-N	-1	0	295.291	0.493	20	30		CCEDRM
C=C[C@H](O)C(=O)N[C@H](C(=O)[O-])c1ccc(O)cc1	ZINC001588705555	983927470	/nfs/dbraw/zinc/92/74/70/983927470.db2.gz	ODVQPFGCONIIDI-UWVGGRQHSA-N	-1	0	251.238	0.181	20	30		CCEDRM
C=C[C@H](OC(=O)C[S@](=O)c1cccc(OC)c1)C(=O)[O-]	ZINC001588711203	983936676	/nfs/dbraw/zinc/93/66/76/983936676.db2.gz	MWWJVKPTHIFJSE-YBTHPKLGSA-N	-1	0	298.316	0.985	20	30		CCEDRM
C=C[C@H](OC(=O)[C@H]1CC[C@@H](CCC(=O)OC)O1)C(=O)[O-]	ZINC001588711785	983939828	/nfs/dbraw/zinc/93/98/28/983939828.db2.gz	CXRXOLAGQQRMIJ-LPEHRKFASA-N	-1	0	286.280	0.670	20	30		CCEDRM
C=C[C@@H](OC(=O)[C@H]1CC(=O)N(C2CC2)C1)C(=O)[O-]	ZINC001588712869	983947229	/nfs/dbraw/zinc/94/72/29/983947229.db2.gz	ZJVDYXVZNUQIRY-IONNQARKSA-N	-1	0	253.254	0.180	20	30		CCEDRM
C=C[C@H]1CCCCN1C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)[O-]	ZINC001588719449	983960214	/nfs/dbraw/zinc/96/02/14/983960214.db2.gz	SVGQFLDSHYONAS-DCAQKATOSA-N	-1	0	297.355	0.714	20	30		CCEDRM
C=CC1CCN(C(=O)C(=O)NC2CC(CC(=O)[O-])C2)CC1	ZINC001588720125	983964700	/nfs/dbraw/zinc/96/47/00/983964700.db2.gz	KQVQVLBFYLJSPH-UHFFFAOYSA-N	-1	0	294.351	0.781	20	30		CCEDRM
C=CC[C@H](CC)NC(=O)NCCC(=O)NCCC(=O)[O-]	ZINC001588735507	984018927	/nfs/dbraw/zinc/01/89/27/984018927.db2.gz	CEFXLVSQSNNNFR-JTQLQIEISA-N	-1	0	285.344	0.621	20	30		CCEDRM
C=CC[C@@H](NC(=O)[C@H]1C[C@@H](C(=O)[O-])C1)C(=O)OCC	ZINC001588742409	984032697	/nfs/dbraw/zinc/03/26/97/984032697.db2.gz	CFFZESLKKCZWRL-KXUCPTDWSA-N	-1	0	269.297	0.721	20	30		CCEDRM
C=CCC(F)(F)C(=O)O[C@H](C)C(=O)NCC(=O)[O-]	ZINC001588742737	984034259	/nfs/dbraw/zinc/03/42/59/984034259.db2.gz	KJTHNFXDLWQSOR-ZCFIWIBFSA-N	-1	0	265.212	0.330	20	30		CCEDRM
C=CC[C@@H](CO)NC(=O)CC[C@@H]1C[C@H](C(=O)[O-])CO1	ZINC001588743923	984039855	/nfs/dbraw/zinc/03/98/55/984039855.db2.gz	FMSJXEQLTSLEEV-GARJFASQSA-N	-1	0	271.313	0.310	20	30		CCEDRM
C=CC[C@H](CO)NS(=O)(=O)[C@@H]1CCCC[C@@H]1C(=O)[O-]	ZINC001588744038	984040917	/nfs/dbraw/zinc/04/09/17/984040917.db2.gz	GSBSBYJOODGLMY-OUAUKWLOSA-N	-1	0	291.369	0.486	20	30		CCEDRM
C=CC[C@H](OC(=O)[C@](C)(O)Cn1ccccc1=O)C(=O)[O-]	ZINC001588750177	984069979	/nfs/dbraw/zinc/06/99/79/984069979.db2.gz	CJDHFRWIRLCSGA-IINYFYTJSA-N	-1	0	295.291	0.172	20	30		CCEDRM
C=CC[C@H](OC(=O)C(=O)c1cnn(CC)c1)C(=O)[O-]	ZINC001588751909	984078291	/nfs/dbraw/zinc/07/82/91/984078291.db2.gz	QQONBGVNSDRKCK-VIFPVBQESA-N	-1	0	266.253	0.658	20	30		CCEDRM
C=CC[C@@H](OC(=O)CS(=O)(=O)CCC)C(=O)[O-]	ZINC001588753357	984085050	/nfs/dbraw/zinc/08/50/50/984085050.db2.gz	GFUVNIKRPPEVDJ-MRVPVSSYSA-N	-1	0	264.299	0.384	20	30		CCEDRM
C=CC[C@H](SC[C@H](NC(C)=O)C(=O)[O-])C(=O)OC	ZINC001588758433	984105874	/nfs/dbraw/zinc/10/58/74/984105874.db2.gz	GFTCVRRUDMLJBD-IUCAKERBSA-N	-1	0	275.326	0.427	20	30		CCEDRM
C=CCCC(=O)N(C)CCNC(=O)[C@@H]1C[C@H]1C(=O)[O-]	ZINC001588773635	984148323	/nfs/dbraw/zinc/14/83/23/984148323.db2.gz	CHAXYVKQLIZOEF-NXEZZACHSA-N	-1	0	268.313	0.248	20	30		CCEDRM
C=CCCC(=O)NCCCN(C)C(=O)[C@@H]1C[C@H]1C(=O)[O-]	ZINC001588777346	984156051	/nfs/dbraw/zinc/15/60/51/984156051.db2.gz	ZXRKKMPITCYRQN-GHMZBOCLSA-N	-1	0	282.340	0.638	20	30		CCEDRM
C=CCCC[C@H](NC(=O)c1cc(=O)n(C)cn1)C(=O)[O-]	ZINC001588792454	984209248	/nfs/dbraw/zinc/20/92/48/984209248.db2.gz	HNGMJAGRBCHXJD-VIFPVBQESA-N	-1	0	279.296	0.320	20	30		CCEDRM
C=CCCC[C@@H](NC(=O)c1ccn2nnnc2c1)C(=O)[O-]	ZINC001588792558	984210938	/nfs/dbraw/zinc/21/09/38/984210938.db2.gz	ATDCFKOPVTXXHJ-SNVBAGLBSA-N	-1	0	289.295	0.664	20	30		CCEDRM
C=CCCC[C@@H](NC(=O)Cn1cnc([N+](=O)[O-])n1)C(=O)[O-]	ZINC001588793780	984222046	/nfs/dbraw/zinc/22/20/46/984222046.db2.gz	AUKDEHCZIUVYRG-MRVPVSSYSA-N	-1	0	297.271	0.112	20	30		CCEDRM
C=CCCOC(=O)[C@H](C)OC(=O)C1(C(=O)[O-])CC1	ZINC001588808675	984262900	/nfs/dbraw/zinc/26/29/00/984262900.db2.gz	JUQXGXACKGYWEP-QMMMGPOBSA-N	-1	0	256.254	0.902	20	30		CCEDRM
C=CCCSCCN1C(=O)N[C@@H]([C@@H]2C[C@H]2C(=O)[O-])C1=O	ZINC001588814869	984274129	/nfs/dbraw/zinc/27/41/29/984274129.db2.gz	WFRJJYBFBTXFAN-BBBLOLIVSA-N	-1	0	298.364	0.937	20	30		CCEDRM
C=CCCn1cc(C(=O)Nc2cc(C(=O)[O-])n(C)n2)nn1	ZINC001588817577	984276599	/nfs/dbraw/zinc/27/65/99/984276599.db2.gz	NUPJERLUZMULPZ-UHFFFAOYSA-N	-1	0	290.283	0.538	20	30		CCEDRM
C=CCNC(=O)CN[C@H](C(=O)[O-])c1cccc(OC)c1	ZINC001588844134	984355902	/nfs/dbraw/zinc/35/59/02/984355902.db2.gz	CSVBWIBZUBZUPN-ZDUSSCGKSA-N	-1	0	278.308	0.713	20	30		CCEDRM
C=CCNC(=O)COc1cccc(C(=O)[O-])c1[N+](=O)[O-]	ZINC001588844194	984356436	/nfs/dbraw/zinc/35/64/36/984356436.db2.gz	DTUXFLAZRUVOEI-UHFFFAOYSA-N	-1	0	280.236	0.974	20	30		CCEDRM
C=CCNc1ncc(C(=O)N[C@@]2(C(=O)[O-])C[C@@H](O)C2)s1	ZINC001588849387	984370803	/nfs/dbraw/zinc/37/08/03/984370803.db2.gz	NNLILEWDJKLFKK-OGXFKERWSA-N	-1	0	297.336	0.449	20	30		CCEDRM
C=CCOC[C@H](NC(=O)C(C)(Cl)Cl)C(=O)[O-]	ZINC001588850946	984381836	/nfs/dbraw/zinc/38/18/36/984381836.db2.gz	LFKAZCVIPZLDQN-LURJTMIESA-N	-1	0	270.112	0.952	20	30		CCEDRM
C=CCOCC(=O)NC[C@H](C(=O)[O-])[C@@H]1CCOC1	ZINC001588851141	984383133	/nfs/dbraw/zinc/38/31/33/984383133.db2.gz	WHDHPMMNWUWUGM-ZJUUUORDSA-N	-1	0	257.286	0.043	20	30		CCEDRM
C=CCOC[C@@H](NC(=O)c1nccn1C(C)C)C(=O)[O-]	ZINC001588860064	984410173	/nfs/dbraw/zinc/41/01/73/984410173.db2.gz	HQLIRAGPERDADX-SNVBAGLBSA-N	-1	0	281.312	0.850	20	30		CCEDRM
C=CCOC[C@@H](NC(=O)c1c[nH]c(=S)[nH]1)C(=O)[O-]	ZINC001588860319	984412157	/nfs/dbraw/zinc/41/21/57/984412157.db2.gz	QBHYFFWJLOFCAJ-SSDOTTSWSA-N	-1	0	271.298	0.084	20	30		CCEDRM
C=CCOC[C@H](NC(=O)c1ccnc(F)c1)C(=O)[O-]	ZINC001588860356	984412725	/nfs/dbraw/zinc/41/27/25/984412725.db2.gz	RQRRXPAESHMRSZ-VIFPVBQESA-N	-1	0	268.244	0.606	20	30		CCEDRM
C=CCOCCN1CC[C@H](C(=O)[O-])C[C@H]1C(=O)OC	ZINC001588868884	984435935	/nfs/dbraw/zinc/43/59/35/984435935.db2.gz	FGMPIIPQHZEAMH-QWRGUYRKSA-N	-1	0	271.313	0.527	20	30		CCEDRM
C=CCOc1ccc(C(=O)OCC(=O)NCC(=O)[O-])cc1	ZINC001588874836	984449427	/nfs/dbraw/zinc/44/94/27/984449427.db2.gz	IOFKUHGRLUZRQW-UHFFFAOYSA-N	-1	0	293.275	0.609	20	30		CCEDRM
C=CCSCCN1C(=O)N[C@@H]([C@@H]2C[C@H]2C(=O)[O-])C1=O	ZINC001588878593	984454526	/nfs/dbraw/zinc/45/45/26/984454526.db2.gz	FHKDVKOLMBGUMA-HLTSFMKQSA-N	-1	0	284.337	0.547	20	30		CCEDRM
C=CCn1c(-c2ncc[nH]2)nnc1N1CC[C@H](C(=O)[O-])C1	ZINC001588891455	984488044	/nfs/dbraw/zinc/48/80/44/984488044.db2.gz	KYJQSGLDOUZTSA-VIFPVBQESA-N	-1	0	288.311	0.765	20	30		CCEDRM
C=CCn1c([C@@H](O)C=C)nnc1N1CC[C@](F)(C(=O)[O-])C1	ZINC001588897425	984510407	/nfs/dbraw/zinc/51/04/07/984510407.db2.gz	ZAXPDZROYJRSNB-TVQRCGJNSA-N	-1	0	296.302	0.687	20	30		CCEDRM
CC#CCCCC(=O)N1CCO[C@H](CC(=O)[O-])C1	ZINC001588925350	984586258	/nfs/dbraw/zinc/58/62/58/984586258.db2.gz	PIWOWYCNZVSPDL-LLVKDONJSA-N	-1	0	253.298	0.882	20	30		CCEDRM
CC#CCCCC(=O)N1C[C@H](C)O[C@H](C(=O)[O-])C1	ZINC001588925638	984588139	/nfs/dbraw/zinc/58/81/39/984588139.db2.gz	UDZOGMARXIBBDW-QWRGUYRKSA-N	-1	0	253.298	0.881	20	30		CCEDRM
CC#CC[C@@H](CO)NC(=O)C12CCC(C(=O)[O-])(CC1)C2	ZINC001588926452	984594475	/nfs/dbraw/zinc/59/44/75/984594475.db2.gz	YIGGQGRHSSWWEW-QGLTVNCISA-N	-1	0	279.336	0.912	20	30		CCEDRM
CC#CCCN1CC[C@@H](C(=O)[O-])C[C@@H]1C(=O)OC	ZINC001588927321	984597741	/nfs/dbraw/zinc/59/77/41/984597741.db2.gz	SSJHGDUGLGBPFK-GHMZBOCLSA-N	-1	0	253.298	0.738	20	30		CCEDRM
C/C(=C\CNC(=O)[C@@]1(C#N)CCCOC1)C(=O)[O-]	ZINC001588965360	984756106	/nfs/dbraw/zinc/75/61/06/984756106.db2.gz	WSDJEOFKFNCIPZ-AHAUYKDXSA-N	-1	0	252.270	0.454	20	30		CCEDRM
Cc1[nH]c(C#N)cc1C(=O)N1CCSC[C@@H]1C(=O)[O-]	ZINC001599942505	985472096	/nfs/dbraw/zinc/47/20/96/985472096.db2.gz	NAYHZJULIQYOAU-SNVBAGLBSA-N	-1	0	279.321	0.837	20	30		CCEDRM
CC(=O)N[C@@H](CSC[C@@H](C#N)CCC#N)C(=O)[O-]	ZINC001589157652	985492803	/nfs/dbraw/zinc/49/28/03/985492803.db2.gz	RPHUEBDZMWRXDX-ZJUUUORDSA-N	-1	0	269.326	0.752	20	30		CCEDRM
C[C@@H](C#N)C(=O)N[C@@H](Cc1cncs1)C(=O)[O-]	ZINC001589329067	986160005	/nfs/dbraw/zinc/16/00/05/986160005.db2.gz	IEZXOTJEEQGDRY-XPUUQOCRSA-N	-1	0	253.283	0.415	20	30		CCEDRM
C[C@H](C#N)CNC(=O)N[C@H]1C[C@H]2C[C@H](C(=O)[O-])C[C@H]21	ZINC001589330685	986176996	/nfs/dbraw/zinc/17/69/96/986176996.db2.gz	NKCFYAAUNYGRIR-NZFPMDFQSA-N	-1	0	265.313	0.945	20	30		CCEDRM
C[C@@H](C#N)N(C)S(=O)(=O)c1cc(C(=O)[O-])cs1	ZINC001589331769	986191581	/nfs/dbraw/zinc/19/15/81/986191581.db2.gz	NZJPSEHFWNHRFV-LURJTMIESA-N	-1	0	274.323	0.979	20	30		CCEDRM
CC(C)(C#N)CNS(=O)(=O)c1cccnc1C(=O)[O-]	ZINC001589554981	987305971	/nfs/dbraw/zinc/30/59/71/987305971.db2.gz	ZYRZWVDADUKXSA-UHFFFAOYSA-N	-1	0	283.309	0.608	20	30		CCEDRM
CCc1[nH]c(CN2CCO[C@H](C#N)C2)cc1C(=O)[O-]	ZINC001597386898	987608839	/nfs/dbraw/zinc/60/88/39/987608839.db2.gz	QGLUMAXIOAPNGW-SNVBAGLBSA-N	-1	0	263.297	1.000	20	30		CCEDRM
CC(C)(C)C#CC(=O)N1CCOC[C@H]1CC(=O)[O-]	ZINC001589682084	987717673	/nfs/dbraw/zinc/71/76/73/987717673.db2.gz	PFXLPVAHQPARJM-SNVBAGLBSA-N	-1	0	253.298	0.738	20	30		CCEDRM
CSc1nccnc1C(=O)N(CC#N)CCC(=O)[O-]	ZINC001599830007	988656996	/nfs/dbraw/zinc/65/69/96/988656996.db2.gz	UWUVFMDBKPGSGP-UHFFFAOYSA-N	-1	0	280.309	0.639	20	30		CCEDRM
CCc1nc(C#N)cc(NCCC(=O)NCCC(=O)[O-])n1	ZINC001597646507	988666762	/nfs/dbraw/zinc/66/67/62/988666762.db2.gz	AAFOSWOKVGXREU-UHFFFAOYSA-N	-1	0	291.311	0.304	20	30		CCEDRM
C[C@@H](O)CCNS(=O)(=O)c1ccc(C#N)cc1C(=O)[O-]	ZINC001599843003	988880143	/nfs/dbraw/zinc/88/01/43/988880143.db2.gz	MUJICOVUKHVOAP-MRVPVSSYSA-N	-1	0	298.320	0.306	20	30		CCEDRM
CCc1nn(C)cc1C(=O)N(CC#N)CCC(=O)[O-]	ZINC001597717571	988987475	/nfs/dbraw/zinc/98/74/75/988987475.db2.gz	FPRUAFYSRHYGBL-UHFFFAOYSA-N	-1	0	264.285	0.423	20	30		CCEDRM
C[C@@H]1CN(c2nnc([C@H]3C[C@H]3C#N)n2C)C[C@@H](C(=O)[O-])O1	ZINC001599869557	989327233	/nfs/dbraw/zinc/32/72/33/989327233.db2.gz	GBHPLCGTDNDZIF-KATARQTJSA-N	-1	0	291.311	0.120	20	30		CCEDRM
C[C@@H]1C[C@H](C(=O)[C@@H](C#N)c2nccn2C)O[C@H]1C(=O)[O-]	ZINC001599871232	989353492	/nfs/dbraw/zinc/35/34/92/989353492.db2.gz	SZRWBUQQWVOQRB-TURQNECASA-N	-1	0	277.280	0.475	20	30		CCEDRM
C[C@@H]1C[C@H](C(=O)NC2(C#N)CCOCC2)O[C@H]1C(=O)[O-]	ZINC001599873720	989389760	/nfs/dbraw/zinc/38/97/60/989389760.db2.gz	JAHPLZMEBSDXDC-OPRDCNLKSA-N	-1	0	282.296	0.054	20	30		CCEDRM
C[C@@H]1C[C@H](C(=O)NCc2nc(C#N)cs2)O[C@H]1C(=O)[O-]	ZINC001599875898	989418629	/nfs/dbraw/zinc/41/86/29/989418629.db2.gz	IBWVOFWVKPHIMG-GTNGPMTGSA-N	-1	0	295.320	0.509	20	30		CCEDRM
C[C@]12CN(CC#N)C[C@@]1(C)CN(C(=O)[C@@H]1C[C@H]1C(=O)[O-])C2	ZINC001599883922	989524354	/nfs/dbraw/zinc/52/43/54/989524354.db2.gz	CJCGVGZALKSMLN-FKGLVLAHSA-N	-1	0	291.351	0.401	20	30		CCEDRM
CC(C)C#CC(=O)N1CC[C@@]2(CC(C(=O)[O-])=NO2)C1	ZINC001590927324	990933391	/nfs/dbraw/zinc/93/33/91/990933391.db2.gz	ZHDRCOFANWCEBA-CYBMUJFWSA-N	-1	0	264.281	0.478	20	30		CCEDRM
CC(C)C#CC(=O)NC[C@@H](C(=O)[O-])[C@H]1CCOC1	ZINC001590927751	990936539	/nfs/dbraw/zinc/93/65/39/990936539.db2.gz	KIRYQSOLICHQDC-WDEREUQCSA-N	-1	0	253.298	0.499	20	30		CCEDRM
CC(C)[C@](C)(C#N)NC(=O)CN1CCOC[C@@H]1CC(=O)[O-]	ZINC001590961162	991056810	/nfs/dbraw/zinc/05/68/10/991056810.db2.gz	MTORSKPVSKVHAB-FZMZJTMJSA-N	-1	0	297.355	0.216	20	30		CCEDRM
CC(C)C[C@@H](NC(=O)COc1cccnc1C#N)C(=O)[O-]	ZINC001591174208	991969083	/nfs/dbraw/zinc/96/90/83/991969083.db2.gz	XFAROYAULDKXOH-SNVBAGLBSA-N	-1	0	291.307	0.948	20	30		CCEDRM
CN(CCc1cn(CC(=O)[O-])nn1)[C@H]1CCC[C@@H]1C#N	ZINC001598502921	992459473	/nfs/dbraw/zinc/45/94/73/992459473.db2.gz	SJKDTMHDKJKEAL-PWSUYJOCSA-N	-1	0	277.328	0.529	20	30		CCEDRM
COc1ccc(O)c(/C=N\CCOCC(=O)[O-])c1	ZINC001599598407	993779861	/nfs/dbraw/zinc/77/98/61/993779861.db2.gz	LRFRUUPRTBZPSA-QPEQYQDCSA-N	-1	0	253.254	0.921	20	30		CCEDRM
C[C@](NCC(=O)NCC#N)(C(=O)[O-])c1ccc(F)cc1	ZINC001593230750	994365753	/nfs/dbraw/zinc/36/57/53/994365753.db2.gz	LEKIFGXPUZUPPZ-CYBMUJFWSA-N	-1	0	279.271	0.355	20	30		CCEDRM
C[C@@H](OC(=O)CC1(C#N)CCOCC1)C(=O)C(=O)[O-]	ZINC001593516349	995546048	/nfs/dbraw/zinc/54/60/48/995546048.db2.gz	QYKIXLKFMXXLRP-MRVPVSSYSA-N	-1	0	269.253	0.282	20	30		CCEDRM
C[C@@H](OC(=O)c1ccc(C#N)cc1)C(=O)NCC(=O)[O-]	ZINC001593573417	995673219	/nfs/dbraw/zinc/67/32/19/995673219.db2.gz	UAGBLECRQJMVKD-MRVPVSSYSA-N	-1	0	276.248	0.304	20	30		CCEDRM
COC(=O)[C@H]1CCN(C(=O)C#CC(C)(C)C)[C@H](C(=O)[O-])C1	ZINC001598790759	996070848	/nfs/dbraw/zinc/07/08/48/996070848.db2.gz	SMAXVPOFBMZFPQ-QWRGUYRKSA-N	-1	0	295.335	0.901	20	30		CCEDRM
COC(=O)[C@@H]1CN(C[C@@H](C#N)CCC#N)C[C@@H]1C(=O)[O-]	ZINC001598823738	996359183	/nfs/dbraw/zinc/35/91/83/996359183.db2.gz	WYQAMLOAHJPUAR-OUAUKWLOSA-N	-1	0	279.296	0.236	20	30		CCEDRM
C[C@@]1(C#N)CN(c2ncc(C(=O)[O-])s2)CCO1	ZINC001593743312	996367248	/nfs/dbraw/zinc/36/72/48/996367248.db2.gz	MUSXTMKBZYCIGD-SNVBAGLBSA-N	-1	0	253.283	0.960	20	30		CCEDRM
C[C@]1(C#N)CN([C@@H]2CCCN(CCC(=O)[O-])C2=O)CCO1	ZINC001593743328	996367340	/nfs/dbraw/zinc/36/73/40/996367340.db2.gz	NLABYWHMHBMSTJ-RISCZKNCSA-N	-1	0	295.339	0.067	20	30		CCEDRM
COC(=O)[C@H]1CN(c2nc(C#N)ccc2C)C[C@H]1C(=O)[O-]	ZINC001598826159	996384902	/nfs/dbraw/zinc/38/49/02/996384902.db2.gz	GPHFJDGOLPYNKS-MNOVXSKESA-N	-1	0	289.291	0.572	20	30		CCEDRM
COC(=O)[C@H]1CN(c2cc(C#N)ccn2)C[C@H]1C(=O)[O-]	ZINC001598827958	996405059	/nfs/dbraw/zinc/40/50/59/996405059.db2.gz	OVYKHQBPKFRNAE-ZJUUUORDSA-N	-1	0	275.264	0.263	20	30		CCEDRM
COC(=O)CC[C@@H](NC(=O)c1ccc(C#N)nc1)C(=O)[O-]	ZINC001598857625	996651001	/nfs/dbraw/zinc/65/10/01/996651001.db2.gz	DMOMMAVHIIFDOC-SNVBAGLBSA-N	-1	0	291.263	0.089	20	30		CCEDRM
COC(=O)Cc1occ(C)c1C(=O)N(CC#N)CC(=O)[O-]	ZINC001598873161	996747678	/nfs/dbraw/zinc/74/76/78/996747678.db2.gz	CHNDGRHEVDOJFW-UHFFFAOYSA-N	-1	0	294.263	0.354	20	30		CCEDRM
COC(=O)N1CC(Nc2ccc(C(=O)[O-])nc2C#N)C1	ZINC001598879198	996790339	/nfs/dbraw/zinc/79/03/39/996790339.db2.gz	KRPUVSQLTZRDAX-UHFFFAOYSA-N	-1	0	276.252	0.514	20	30		CCEDRM
COC(=O)[C@@H](CCC(=O)[O-])NC(=O)CCCCC#N	ZINC001598889848	996972006	/nfs/dbraw/zinc/97/20/06/996972006.db2.gz	DPTWRYBGVWVVIT-SECBINFHSA-N	-1	0	270.285	0.593	20	30		CCEDRM
COC[C@@H](OC)C(=O)O[C@H](C(=O)[O-])c1ccc(C#N)cc1	ZINC001599186937	997042556	/nfs/dbraw/zinc/04/25/56/997042556.db2.gz	MUUGUOLBNPQOTI-NEPJUHHUSA-N	-1	0	293.275	0.889	20	30		CCEDRM
CON=CC(=O)NCCc1ccccc1C(=O)[O-]	ZINC001599319579	997557838	/nfs/dbraw/zinc/55/78/38/997557838.db2.gz	DMOVXMXPQIDCBV-UHFFFAOYSA-N	-1	0	250.254	0.676	20	30		CCEDRM
CON=CC(=O)N[C@@H](Cc1ccccc1O)C(=O)[O-]	ZINC001599319654	997558464	/nfs/dbraw/zinc/55/84/64/997558464.db2.gz	DYQJRDPQKXXDNT-VIFPVBQESA-N	-1	0	266.253	0.136	20	30		CCEDRM
CON1CCN([C@H](C(=O)[O-])c2ccc(C#N)cc2)CC1	ZINC001599319984	997564610	/nfs/dbraw/zinc/56/46/10/997564610.db2.gz	JYBSKTGFAFNEGE-ZDUSSCGKSA-N	-1	0	275.308	0.863	20	30		CCEDRM
CO[C@@H](C)CNS(=O)(=O)c1ccc(C#N)cc1C(=O)[O-]	ZINC001599320269	997568875	/nfs/dbraw/zinc/56/88/75/997568875.db2.gz	YWWAVCWLSMVQSO-QMMMGPOBSA-N	-1	0	298.320	0.570	20	30		CCEDRM
COC[C@@H](NC(=O)C(=O)/C=C/c1ccc(F)cc1)C(=O)[O-]	ZINC001599169712	998594626	/nfs/dbraw/zinc/59/46/26/998594626.db2.gz	NHZZHTDNIUIXJF-TZOMUSMUSA-N	-1	0	295.266	0.624	20	30		CCEDRM
COC(=O)c1ccc(OC)c(CN(CC#N)CC(=O)[O-])c1	ZINC001598984169	998685334	/nfs/dbraw/zinc/68/53/34/998685334.db2.gz	JCHZYRGMSQBSTJ-UHFFFAOYSA-N	-1	0	292.291	0.892	20	30		CCEDRM
C=CCN(C(=O)c1c[n-]n2c1nccc2=O)[C@H](C)COC	ZINC000617582658	365687346	/nfs/dbraw/zinc/68/73/46/365687346.db2.gz	RKSVWKLTGLVSNO-SNVBAGLBSA-N	-1	0	290.323	0.686	20	30		CCEDRM
N#CC1(CS(=O)(=O)N2CC(F)(F)C[C@@H]2C(=O)[O-])CC1	ZINC000600659306	362027287	/nfs/dbraw/zinc/02/72/87/362027287.db2.gz	ODEFXEXMIDDWCN-SSDOTTSWSA-N	-1	0	294.279	0.414	20	30		CCEDRM
C[C@H](C(=O)[O-])N(C)S(=O)(=O)c1ccccc1CC#N	ZINC000600941020	362094733	/nfs/dbraw/zinc/09/47/33/362094733.db2.gz	UJLIAUHNMAGTRO-SECBINFHSA-N	-1	0	282.321	0.846	20	30		CCEDRM
Cc1cc(F)cc(C#N)c1S(=O)(=O)N(C)CC(=O)[O-]	ZINC000600889360	362088905	/nfs/dbraw/zinc/08/89/05/362088905.db2.gz	CVJNBDQMZJFWGE-UHFFFAOYSA-N	-1	0	286.284	0.711	20	30		CCEDRM
CC1(C)CN(S(=O)(=O)CCCCC#N)[C@H]1C(=O)[O-]	ZINC000600892244	362089379	/nfs/dbraw/zinc/08/93/79/362089379.db2.gz	JFXDMKJAHWWHAD-VIFPVBQESA-N	-1	0	274.342	0.805	20	30		CCEDRM
N#CC1(C(=O)N2CCC[C@@H](c3nnn[n-]3)C2)CC2(CC2)C1	ZINC000601361377	362243248	/nfs/dbraw/zinc/24/32/48/362243248.db2.gz	ITTKGXPFJGHCBG-SNVBAGLBSA-N	-1	0	286.339	0.990	20	30		CCEDRM
CN(CCC(=O)[O-])S(=O)(=O)c1ccc(C#N)nc1	ZINC000127115609	187283274	/nfs/dbraw/zinc/28/32/74/187283274.db2.gz	AYXBGHFFYXIBAQ-UHFFFAOYSA-N	-1	0	269.282	0.048	20	30		CCEDRM
Cc1[n-][nH]c(=NC(=O)[C@H](C)Cc2cnn(C)c2)c1C#N	ZINC000601680635	362352575	/nfs/dbraw/zinc/35/25/75/362352575.db2.gz	UUMPTHIASYIWOC-MRVPVSSYSA-N	-1	0	272.312	0.563	20	30		CCEDRM
CC(C)[C@H](NCC(F)(F)F)C(=O)N=c1[nH][n-]cc1C#N	ZINC000601636759	362334198	/nfs/dbraw/zinc/33/41/98/362334198.db2.gz	OHPUBZZVKHFDMX-QMMMGPOBSA-N	-1	0	289.261	0.818	20	30		CCEDRM
C[C@@H]1C[C@H](C)CN(C(=O)Cn2cc(C#N)c(=O)[n-]c2=O)C1	ZINC000602026244	362463257	/nfs/dbraw/zinc/46/32/57/362463257.db2.gz	KNVPSASLELLLDS-AOOOYVTPSA-N	-1	0	290.323	0.325	20	30		CCEDRM
C[C@H](N(C)C(=O)Cn1cc(C#N)c(=O)[n-]c1=O)C(C)(C)C	ZINC000602051706	362468578	/nfs/dbraw/zinc/46/85/78/362468578.db2.gz	HYCYHLVIPPHTPJ-VIFPVBQESA-N	-1	0	292.339	0.714	20	30		CCEDRM
CC(C)[C@@H]1CCN(C(=O)Cn2cc(C#N)c(=O)[n-]c2=O)C1	ZINC000602114696	362497911	/nfs/dbraw/zinc/49/79/11/362497911.db2.gz	XLCDWGGWRQXDQT-SNVBAGLBSA-N	-1	0	290.323	0.325	20	30		CCEDRM
CCC1(C)CN(C(=O)Cn2cc(C#N)c(=O)[n-]c2=O)C1	ZINC000602155127	362529705	/nfs/dbraw/zinc/52/97/05/362529705.db2.gz	ZFPXQXVQUJRVQP-UHFFFAOYSA-N	-1	0	276.296	0.079	20	30		CCEDRM
CC[C@H](NC(C)=O)C(=O)N=c1[n-]n(C(C)(C)C)cc1C#N	ZINC000602279713	362573661	/nfs/dbraw/zinc/57/36/61/362573661.db2.gz	FLFXPARNCKUSAR-NSHDSACASA-N	-1	0	291.355	0.785	20	30		CCEDRM
Cc1c(C#N)c(=NC(=O)c2cnn(C(F)F)c2)[n-]n1C	ZINC000602351746	362595412	/nfs/dbraw/zinc/59/54/12/362595412.db2.gz	JSTNSMLUTNXXIP-UHFFFAOYSA-N	-1	0	280.238	0.866	20	30		CCEDRM
N#Cc1ccc(OCC(=O)N[C@]2(C(=O)[O-])CCOC2)cc1	ZINC000085851422	179188174	/nfs/dbraw/zinc/18/81/74/179188174.db2.gz	VIXDKBWRWBHOGO-CQSZACIVSA-N	-1	0	290.275	0.297	20	30		CCEDRM
Cc1ncc(S(=O)(=O)N[C@@H](C)C(=O)[O-])cc1C#N	ZINC000261553399	137008257	/nfs/dbraw/zinc/00/82/57/137008257.db2.gz	AHFWIVQBOBWEAQ-ZETCQYMHSA-N	-1	0	269.282	0.013	20	30		CCEDRM
CCC[C@@H](NS(=O)(=O)c1cnc(C)c(C#N)c1)C(=O)[O-]	ZINC000261760947	137018897	/nfs/dbraw/zinc/01/88/97/137018897.db2.gz	NVTBOFMMBRXJKN-LLVKDONJSA-N	-1	0	297.336	0.793	20	30		CCEDRM
N#Cc1c(N)n[nH]c1CCCNc1cnc(C(=O)[O-])cn1	ZINC000263530912	137067584	/nfs/dbraw/zinc/06/75/84/137067584.db2.gz	WKGJBLVTJOTUPA-UHFFFAOYSA-N	-1	0	287.283	0.396	20	30		CCEDRM
CC[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)[O-]	ZINC000035085809	348155000	/nfs/dbraw/zinc/15/50/00/348155000.db2.gz	LMGLAOGDRBJAFR-JTQLQIEISA-N	-1	0	268.294	0.700	20	30		CCEDRM
C[C@@H]1C[C@@H](NC(=O)N=c2[n-]n(C)cc2C#N)[C@H](C)O1	ZINC000602884168	362862434	/nfs/dbraw/zinc/86/24/34/362862434.db2.gz	VNTOYGDCPFIWKU-KHQFGBGNSA-N	-1	0	263.301	0.401	20	30		CCEDRM
C[C@@H]1CCC[C@H](CNC(=O)N=c2[n-]n(C)cc2C#N)O1	ZINC000602885944	362864596	/nfs/dbraw/zinc/86/45/96/362864596.db2.gz	GSFWEVMOONVJRG-MWLCHTKSSA-N	-1	0	277.328	0.793	20	30		CCEDRM
Cn1cc(C#N)c(=NC(=O)N2CCO[C@@H](CCF)C2)[n-]1	ZINC000602885028	362865221	/nfs/dbraw/zinc/86/52/21/362865221.db2.gz	YEGDLOSLAHPRFM-JTQLQIEISA-N	-1	0	281.291	0.306	20	30		CCEDRM
C[C@@H](Cc1ccccn1)NC(=O)N=c1[n-]n(C)cc1C#N	ZINC000602886671	362866526	/nfs/dbraw/zinc/86/65/26/362866526.db2.gz	LYNZFLCLJPCJMS-JTQLQIEISA-N	-1	0	284.323	0.861	20	30		CCEDRM
C=CCOCCCNC(=O)N=c1[n-]n(C)cc1C#N	ZINC000602889664	362866846	/nfs/dbraw/zinc/86/68/46/362866846.db2.gz	YZBIVJZWAWSYJQ-UHFFFAOYSA-N	-1	0	263.301	0.428	20	30		CCEDRM
Cn1cc(C#N)c(=NC(=O)N2C[C@]3(C)COC[C@]3(C)C2)[n-]1	ZINC000602889082	362867162	/nfs/dbraw/zinc/86/71/62/362867162.db2.gz	WHTLBFXNDJCYKJ-OKILXGFUSA-N	-1	0	289.339	0.604	20	30		CCEDRM
Cn1cc(C#N)c(=NC(=O)N2CCO[C@@](C)(C3CC3)C2)[n-]1	ZINC000602889125	362867274	/nfs/dbraw/zinc/86/72/74/362867274.db2.gz	WXHRVJJHFFLJAB-CQSZACIVSA-N	-1	0	289.339	0.746	20	30		CCEDRM
CCO[C@H]1CCN(C(=O)N=c2[n-]n(C)cc2C#N)C[C@H]1C	ZINC000602879977	362860633	/nfs/dbraw/zinc/86/06/33/362860633.db2.gz	IGPRBUWGKVBYET-PWSUYJOCSA-N	-1	0	291.355	0.992	20	30		CCEDRM
N#Cc1ccc(N2CCO[C@@H](C(=O)[O-])C2)c([N+](=O)[O-])c1	ZINC000049871672	348460911	/nfs/dbraw/zinc/46/09/11/348460911.db2.gz	ZKDJWRRSXSSCAK-LLVKDONJSA-N	-1	0	277.236	0.756	20	30		CCEDRM
N#Cc1cccc(C(=O)N2CCOC[C@H]2C(=O)[O-])c1	ZINC000088373428	349364714	/nfs/dbraw/zinc/36/47/14/349364714.db2.gz	NZQGKKCEXQZMMA-NSHDSACASA-N	-1	0	260.249	0.484	20	30		CCEDRM
COC[C@H](NS(=O)(=O)Cc1ccc(C#N)cc1)C(=O)[O-]	ZINC000158589655	350660576	/nfs/dbraw/zinc/66/05/76/350660576.db2.gz	LAWCRPMPRXGOFS-NSHDSACASA-N	-1	0	298.320	0.077	20	30		CCEDRM
C=C(C)COCCNS(=O)(=O)CCCC(=O)[O-]	ZINC000163485475	350767152	/nfs/dbraw/zinc/76/71/52/350767152.db2.gz	ITFKCXCSOTVYRL-UHFFFAOYSA-N	-1	0	265.331	0.363	20	30		CCEDRM
C[C@@H](C#N)CNS(=O)(=O)c1cccnc1C#N	ZINC000235488229	352184162	/nfs/dbraw/zinc/18/41/62/352184162.db2.gz	MHTHDLALZCEXBU-QMMMGPOBSA-N	-1	0	250.283	0.391	20	30		CCEDRM
CN(CCC#N)S(=O)(=O)N1CCCC[C@H]1C(=O)[O-]	ZINC000252455467	352514813	/nfs/dbraw/zinc/51/48/13/352514813.db2.gz	STJHQGQRRBHETP-VIFPVBQESA-N	-1	0	275.330	0.016	20	30		CCEDRM
N#CCN1CCN(C(=O)c2cc(F)ccc2O)CC1	ZINC000128563892	260375795	/nfs/dbraw/zinc/37/57/95/260375795.db2.gz	VRFITIZMUAVPBP-UHFFFAOYSA-N	-1	0	263.272	0.813	20	30		CCEDRM
C=CC[C@@H](NS(=O)(=O)c1cnn(C(C)C)c1)C(=O)[O-]	ZINC000274911006	353172520	/nfs/dbraw/zinc/17/25/20/353172520.db2.gz	KPDBTUMFSPVXIN-SNVBAGLBSA-N	-1	0	287.341	0.772	20	30		CCEDRM
C[C@@H](CN(C)C(=O)Cc1ccc(C#N)cc1)c1nnn[n-]1	ZINC000274791002	353162500	/nfs/dbraw/zinc/16/25/00/353162500.db2.gz	PWUYJEIUSVHVNB-JTQLQIEISA-N	-1	0	284.323	0.876	20	30		CCEDRM
CN(C)S(=O)(=O)N(CC(=O)[O-])Cc1cccc(C#N)c1	ZINC000275151662	353189444	/nfs/dbraw/zinc/18/94/44/353189444.db2.gz	RTWBJRKTBGXQLX-UHFFFAOYSA-N	-1	0	297.336	0.251	20	30		CCEDRM
C[C@@H]1[C@H](C(=O)[O-])CCN1S(=O)(=O)c1ccc(C#N)o1	ZINC000287419908	353645492	/nfs/dbraw/zinc/64/54/92/353645492.db2.gz	FWZVLMPKUKSYTD-VXNVDRBHSA-N	-1	0	284.293	0.635	20	30		CCEDRM
CC(C)(CNS(=O)(=O)c1ccc(C#N)o1)CC(=O)[O-]	ZINC000287422246	353645677	/nfs/dbraw/zinc/64/56/77/353645677.db2.gz	GDWJCDDXOKAMRW-UHFFFAOYSA-N	-1	0	286.309	0.930	20	30		CCEDRM
N#Cc1ccc(S(=O)(=O)[N-]CC(F)(F)CO)o1	ZINC000287970843	353679539	/nfs/dbraw/zinc/67/95/39/353679539.db2.gz	XZXPVEFJOPZMSV-UHFFFAOYSA-N	-1	0	266.225	0.057	20	30		CCEDRM
CCOC[C@H](NS(=O)(=O)c1ccccc1C#N)C(=O)[O-]	ZINC000290646982	353740095	/nfs/dbraw/zinc/74/00/95/353740095.db2.gz	MPPJAMMKAYEZRM-JTQLQIEISA-N	-1	0	298.320	0.326	20	30		CCEDRM
Cn1ncc(C(=O)N=c2[n-]n(C(C)(C)C)cc2C#N)c1C#N	ZINC000331197499	354488054	/nfs/dbraw/zinc/48/80/54/354488054.db2.gz	ZKGGSJMXAANROC-UHFFFAOYSA-N	-1	0	297.322	0.789	20	30		CCEDRM
CN(CC(=O)[O-])S(=O)(=O)c1ccc(Cl)c(C#N)c1	ZINC000340185656	355517947	/nfs/dbraw/zinc/51/79/47/355517947.db2.gz	NGKWEZMTBBAELJ-UHFFFAOYSA-N	-1	0	288.712	0.917	20	30		CCEDRM
Cc1n[n-]c(=NC(=O)c2cccc(F)c2C#N)n1C	ZINC000427906814	235386319	/nfs/dbraw/zinc/38/63/19/235386319.db2.gz	RQABWMVRIWVECU-UHFFFAOYSA-N	-1	0	259.244	0.809	20	30		CCEDRM
C[C@@H](CNS(=O)(=O)c1cccc(CC#N)c1)C(=O)[O-]	ZINC000619470107	366264576	/nfs/dbraw/zinc/26/45/76/366264576.db2.gz	JXEWMNHUBMVVBF-VIFPVBQESA-N	-1	0	282.321	0.752	20	30		CCEDRM
CS(=O)(=O)[N-]c1nnc(-c2cccc(C#N)c2)o1	ZINC000560452572	291102338	/nfs/dbraw/zinc/10/23/38/291102338.db2.gz	VGAFVGMWGJKTNX-UHFFFAOYSA-N	-1	0	264.266	0.980	20	30		CCEDRM
C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)N=c1[n-]n(C)cc1C#N	ZINC000619556381	366280466	/nfs/dbraw/zinc/28/04/66/366280466.db2.gz	UWIRAYIQVRDMKL-PWSUYJOCSA-N	-1	0	289.339	0.816	20	30		CCEDRM
COC(=O)c1ccc(=NC(=O)CC(C)(C)C#N)[n-]n1	ZINC000619602028	366294368	/nfs/dbraw/zinc/29/43/68/366294368.db2.gz	DSQWZRZAQHSSFB-UHFFFAOYSA-N	-1	0	262.269	0.563	20	30		CCEDRM
N#Cc1cc(C(=O)NCCc2n[n-]c(=N)o2)ccc1F	ZINC000355112566	356581378	/nfs/dbraw/zinc/58/13/78/356581378.db2.gz	OXNISZMJWSWKIV-UHFFFAOYSA-N	-1	0	275.243	0.465	20	30		CCEDRM
N#Cc1nc(NC(=O)c2ccncc2F)[n-]c1C#N	ZINC000355809748	356652183	/nfs/dbraw/zinc/65/21/83/356652183.db2.gz	LJGXMBLJZUGPPA-UHFFFAOYSA-N	-1	0	256.200	0.939	20	30		CCEDRM
CN(C[C@@H]1CCCCO1)C(=O)N=c1[n-]n(C)cc1C#N	ZINC000610562821	363577881	/nfs/dbraw/zinc/57/78/81/363577881.db2.gz	HXHJTTSQTRGEEP-NSHDSACASA-N	-1	0	277.328	0.746	20	30		CCEDRM
Cc1occc1CNC(=O)N=c1[n-]n(C)cc1C#N	ZINC000610562161	363576853	/nfs/dbraw/zinc/57/68/53/363576853.db2.gz	YPZLANDWGBXLCX-UHFFFAOYSA-N	-1	0	259.269	0.937	20	30		CCEDRM
Cn1cc(C#N)c(=NC(=O)NCc2ccc3c(c2)CCO3)[n-]1	ZINC000610565590	363580460	/nfs/dbraw/zinc/58/04/60/363580460.db2.gz	ZMKLBGPIBKGNOO-UHFFFAOYSA-N	-1	0	297.318	0.970	20	30		CCEDRM
Cn1cc(C#N)c(=NC(=O)N[C@H]2CCSC2)[n-]1	ZINC000610569845	363581112	/nfs/dbraw/zinc/58/11/12/363581112.db2.gz	BJFXUNORXATKBO-QMMMGPOBSA-N	-1	0	251.315	0.341	20	30		CCEDRM
Cn1cc(C#N)c(=NC(=O)NC[C@@]2(C)CCCO2)[n-]1	ZINC000610674747	363595097	/nfs/dbraw/zinc/59/50/97/363595097.db2.gz	JEAUPNOTQMXPSI-GFCCVEGCSA-N	-1	0	263.301	0.404	20	30		CCEDRM
Cn1cc(C#N)c(=NC(=O)NC[C@H]2CCCS2)[n-]1	ZINC000610698548	363600603	/nfs/dbraw/zinc/60/06/03/363600603.db2.gz	SESHZMKBINBOHX-SECBINFHSA-N	-1	0	265.342	0.731	20	30		CCEDRM
N#Cc1cn(C2CN(C(=O)CC3CC3)C2)c(=O)[n-]c1=O	ZINC000530266596	358386978	/nfs/dbraw/zinc/38/69/78/358386978.db2.gz	LRDMTMRWPHWGRW-UHFFFAOYSA-N	-1	0	274.280	0.004	20	30		CCEDRM
N#Cc1cc2c(nc1NCCCC(=O)[O-])CCOC2	ZINC000569242944	358748255	/nfs/dbraw/zinc/74/82/55/358748255.db2.gz	DTBGNPGQJMTTDR-UHFFFAOYSA-N	-1	0	261.281	0.725	20	30		CCEDRM
Cc1[n-][nH]c(=NC(=O)[C@@H]2CCc3cncn3C2)c1C#N	ZINC000569490117	358769515	/nfs/dbraw/zinc/76/95/15/358769515.db2.gz	ZLJGOBIWHFWJLW-SECBINFHSA-N	-1	0	270.296	0.409	20	30		CCEDRM
Cn1cc(C#N)c(=NC(=O)N[C@@H]2CCCc3c[nH]nc32)[n-]1	ZINC000610821350	363617059	/nfs/dbraw/zinc/61/70/59/363617059.db2.gz	IKRCYOTVMJQXGP-SNVBAGLBSA-N	-1	0	285.311	0.636	20	30		CCEDRM
C=CCC[C@@H](NC(=O)c1nc2ncc(C)cn2n1)C(=O)[O-]	ZINC000571062707	358909290	/nfs/dbraw/zinc/90/92/90/358909290.db2.gz	ZJNKLCLKGGESRY-SECBINFHSA-N	-1	0	289.295	0.582	20	30		CCEDRM
C=CCOC[C@H](NC(=O)N[C@H](CC)COC)C(=O)[O-]	ZINC000573781014	358998250	/nfs/dbraw/zinc/99/82/50/358998250.db2.gz	QBIFSSHUXZXZOR-ZJUUUORDSA-N	-1	0	274.317	0.366	20	30		CCEDRM
COC(=O)C[C@@H]1CCCN1C(=O)N=c1[n-]n(C)cc1C#N	ZINC000610936184	363633494	/nfs/dbraw/zinc/63/34/94/363633494.db2.gz	FQUAYHXKAULARO-JTQLQIEISA-N	-1	0	291.311	0.273	20	30		CCEDRM
C[C@H]1COCCCN1C(=O)N=c1[n-]n(C)cc1C#N	ZINC000610949311	363636789	/nfs/dbraw/zinc/63/67/89/363636789.db2.gz	CONIUJFEBKEHOS-VIFPVBQESA-N	-1	0	263.301	0.356	20	30		CCEDRM
Cn1cc(C#N)c(=NC(=O)NCC2=CCCOC2)[n-]1	ZINC000588259973	359320015	/nfs/dbraw/zinc/32/00/15/359320015.db2.gz	YFDQROVNHFJZMN-UHFFFAOYSA-N	-1	0	261.285	0.182	20	30		CCEDRM
Cn1cc(C#N)c(=NC(=O)N[C@H]2CC[C@H](O)CC2)[n-]1	ZINC000611075626	363656758	/nfs/dbraw/zinc/65/67/58/363656758.db2.gz	NQPRIUFPPPFOOA-MGCOHNPYSA-N	-1	0	263.301	0.139	20	30		CCEDRM
Cn1cc(C#N)c(=NC(=O)N2CC[C@H](n3cccn3)C2)[n-]1	ZINC000589761884	359400733	/nfs/dbraw/zinc/40/07/33/359400733.db2.gz	XSXNESYEEGEUDQ-NSHDSACASA-N	-1	0	285.311	0.389	20	30		CCEDRM
C[C@H]1CC[C@H](CNC(=O)N=c2[n-]n(C)cc2C#N)O1	ZINC000590822325	359526743	/nfs/dbraw/zinc/52/67/43/359526743.db2.gz	NRHVVUZTHXKBNQ-WCBMZHEXSA-N	-1	0	263.301	0.403	20	30		CCEDRM
CC[C@H](C)[C@H](CNC(=O)N=c1[n-]n(C)cc1C#N)OC	ZINC000590819572	359527588	/nfs/dbraw/zinc/52/75/88/359527588.db2.gz	NEWGPHNBHVSITH-ONGXEEELSA-N	-1	0	279.344	0.896	20	30		CCEDRM
C[C@@H]1CCC[C@@]1(O)CNC(=O)N=c1[n-]n(C)cc1C#N	ZINC000590819460	359527607	/nfs/dbraw/zinc/52/76/07/359527607.db2.gz	KMYKZNDQSGVWEU-NOZJJQNGSA-N	-1	0	277.328	0.386	20	30		CCEDRM
Cn1cc(C#N)c(=NC(=O)N2CCO[C@H](C3CCC3)C2)[n-]1	ZINC000591338196	359579714	/nfs/dbraw/zinc/57/97/14/359579714.db2.gz	WGPNKXPHEYTBHI-LBPRGKRZSA-N	-1	0	289.339	0.746	20	30		CCEDRM
CC(C)(C#N)CNC(=O)NCC1(C(=O)[O-])CCOCC1	ZINC000592212371	359801069	/nfs/dbraw/zinc/80/10/69/359801069.db2.gz	UDKJHPUZFLGXKF-UHFFFAOYSA-N	-1	0	283.328	0.717	20	30		CCEDRM
N#C[C@H](NC(=O)c1n[nH]c(=O)[n-]c1=O)C1CCCCC1	ZINC000611220023	363685905	/nfs/dbraw/zinc/68/59/05/363685905.db2.gz	FFFMYCOCGZQONG-QMMMGPOBSA-N	-1	0	277.284	0.485	20	30		CCEDRM
CCOc1cnc(C(=O)N=c2[n-]n(C)c(C)c2C#N)cn1	ZINC000592650024	359909131	/nfs/dbraw/zinc/90/91/31/359909131.db2.gz	MFHJMLDWQICSJT-UHFFFAOYSA-N	-1	0	286.295	0.463	20	30		CCEDRM
Cc1c(C#N)c(=NC(=O)[C@H]2C[C@]23CCOC3)[n-]n1C	ZINC000592653120	359909447	/nfs/dbraw/zinc/90/94/47/359909447.db2.gz	KRBPZHQYYNEJEG-MFKMUULPSA-N	-1	0	260.297	0.387	20	30		CCEDRM
C[C@H]1C[C@@H](CNC(=O)N=c2[n-]n(C)cc2C#N)CCO1	ZINC000611303353	363705215	/nfs/dbraw/zinc/70/52/15/363705215.db2.gz	XUIRMNIIPUXGBN-UWVGGRQHSA-N	-1	0	277.328	0.650	20	30		CCEDRM
N#CC[C@]1(O)CCN(C(=O)c2cccc([O-])c2[N+](=O)[O-])C1	ZINC000592854614	359958064	/nfs/dbraw/zinc/95/80/64/359958064.db2.gz	YHMHCTDNMXHPII-ZDUSSCGKSA-N	-1	0	291.263	0.791	20	30		CCEDRM
C[C@@H](C(=O)[O-])C1(NS(=O)(=O)N(C)C[C@H](C)C#N)CC1	ZINC000593273913	360059360	/nfs/dbraw/zinc/05/93/60/360059360.db2.gz	OBXRKAGVICJZAZ-BDAKNGLRSA-N	-1	0	289.357	0.166	20	30		CCEDRM
N#CC1(CNC(=O)CSc2n[nH]c(=O)[n-]2)CCCC1	ZINC000593773736	360150081	/nfs/dbraw/zinc/15/00/81/360150081.db2.gz	PDYYTYLIFRKCDI-UHFFFAOYSA-N	-1	0	281.341	0.803	20	30		CCEDRM
CC[C@@H](C#N)C(=O)N1CCC[C@H](c2n[nH]c(=O)[n-]2)C1	ZINC000593688066	360136275	/nfs/dbraw/zinc/13/62/75/360136275.db2.gz	HMYKLHKKNYPFJD-IUCAKERBSA-N	-1	0	263.301	0.766	20	30		CCEDRM
N#Cc1ncn(CC(=O)N2CCCC[C@H]2CC(=O)[O-])n1	ZINC000593920928	360216239	/nfs/dbraw/zinc/21/62/39/360216239.db2.gz	IUFGGTUFEMPKGI-VIFPVBQESA-N	-1	0	277.284	0.006	20	30		CCEDRM
C[C@H](CNS(=O)(=O)Cc1ccc(CC#N)cc1)C(=O)[O-]	ZINC000593945645	360221500	/nfs/dbraw/zinc/22/15/00/360221500.db2.gz	VJJORAWQZQJDGZ-SNVBAGLBSA-N	-1	0	296.348	0.893	20	30		CCEDRM
Cn1nnc2c1CC[C@@H](NC(=O)c1cc(O)cc(C#N)c1)C2	ZINC000594403348	360293932	/nfs/dbraw/zinc/29/39/32/360293932.db2.gz	XBEBARXIOSEYDW-LLVKDONJSA-N	-1	0	297.318	0.680	20	30		CCEDRM
N#CCC1(CS(=O)(=O)N[C@@H](CCF)C(=O)[O-])CC1	ZINC000594574012	360333055	/nfs/dbraw/zinc/33/30/55/360333055.db2.gz	VODSQGWKJPTEFW-QMMMGPOBSA-N	-1	0	278.305	0.412	20	30		CCEDRM
CO[C@H](CS(=O)(=O)N[C@H](C#N)C(C)C)[C@H]1CCOC1	ZINC000594723930	360368365	/nfs/dbraw/zinc/36/83/65/360368365.db2.gz	REISTGDAPZDRQH-QJPTWQEYSA-N	-1	0	290.385	0.505	20	30		CCEDRM
C[C@H]1OCCN(C(=O)N=c2[n-]n(C)cc2C#N)[C@@H]1C	ZINC000611519417	363732694	/nfs/dbraw/zinc/73/26/94/363732694.db2.gz	BDOOLRJFDHKIOM-RKDXNWHRSA-N	-1	0	263.301	0.355	20	30		CCEDRM
C[C@H](NC(=O)N=c1[n-]n(C)cc1C#N)[C@@H]1CCCOC1	ZINC000611557547	363737525	/nfs/dbraw/zinc/73/75/25/363737525.db2.gz	XAVIVPYIKMWUER-VHSXEESVSA-N	-1	0	277.328	0.650	20	30		CCEDRM
Cc1nnc(CNC(=O)N=c2[n-]n(C)cc2C#N)s1	ZINC000611557449	363738037	/nfs/dbraw/zinc/73/80/37/363738037.db2.gz	FQNLHHTXDDLXOX-UHFFFAOYSA-N	-1	0	277.313	0.195	20	30		CCEDRM
CC(C)C[C@H](CNC(=O)C(=O)NCCCC#N)CC(=O)[O-]	ZINC000595276109	360474103	/nfs/dbraw/zinc/47/41/03/360474103.db2.gz	MLTYELMWUVQWGK-NSHDSACASA-N	-1	0	297.355	0.660	20	30		CCEDRM
C[C@H](CC#N)N(C)C(=O)C(=O)Nc1cccnc1C(=O)[O-]	ZINC000595237935	360454275	/nfs/dbraw/zinc/45/42/75/360454275.db2.gz	KSTUVYKWLDATRP-MRVPVSSYSA-N	-1	0	290.279	0.479	20	30		CCEDRM
N#Cc1c(N2C[C@@H]3COC[C@]3(C(=O)[O-])C2)nc2ccccn21	ZINC000595968483	360742980	/nfs/dbraw/zinc/74/29/80/360742980.db2.gz	RSYRSSIIIWLXPE-MEBBXXQBSA-N	-1	0	298.302	0.743	20	30		CCEDRM
Cc1ccnc(N2C[C@@H]3COC[C@]3(C(=O)[O-])C2)c1C#N	ZINC000595973737	360748707	/nfs/dbraw/zinc/74/87/07/360748707.db2.gz	ROYSXHRUJKLVPK-QMTHXVAHSA-N	-1	0	273.292	0.799	20	30		CCEDRM
Cc1cc(N[C@@H]2C[C@H](C(=O)[O-])C[C@H]2O)c(C#N)cn1	ZINC000595977571	360753438	/nfs/dbraw/zinc/75/34/38/360753438.db2.gz	GYYCBTOIEUGQOK-XXILOJSOSA-N	-1	0	261.281	0.320	20	30		CCEDRM
N#Cc1ccc(O[C@H]2CCN(CC(=O)[O-])C2=O)cc1	ZINC000596008621	360774020	/nfs/dbraw/zinc/77/40/20/360774020.db2.gz	KMHFPHDKGDTGNZ-NSHDSACASA-N	-1	0	260.249	0.623	20	30		CCEDRM
C[C@H](CC#N)C(=O)N1CCC[C@@H](c2n[nH]c(=O)[n-]2)C1	ZINC000597624452	361166863	/nfs/dbraw/zinc/16/68/63/361166863.db2.gz	AADZOFDNJFZQSB-RKDXNWHRSA-N	-1	0	263.301	0.766	20	30		CCEDRM
C[C@@H](C#N)N(C(=O)c1c[nH]c2nc(=O)[n-]c(=O)c-2c1)C1CC1	ZINC000598130231	361340098	/nfs/dbraw/zinc/34/00/98/361340098.db2.gz	ASRIWYJEPKGGGX-ZETCQYMHSA-N	-1	0	299.290	0.953	20	30		CCEDRM
C=CC[C@H](CC)NC(=O)C(=O)NC[C@@H](C)C(=O)[O-]	ZINC000655985934	412725067	/nfs/dbraw/zinc/72/50/67/412725067.db2.gz	AUEANLNUBUOPEE-BDAKNGLRSA-N	-1	0	256.302	0.294	20	30		CCEDRM
C=C(C)CN(CC)C(=O)C(=O)NC[C@H](C)C(=O)[O-]	ZINC000656003509	412730248	/nfs/dbraw/zinc/73/02/48/412730248.db2.gz	VHEOHJBXKKFKGU-VIFPVBQESA-N	-1	0	256.302	0.248	20	30		CCEDRM
C=CCCS(=O)(=O)N(CCOC)[C@H](C)C(=O)[O-]	ZINC000275176478	192948352	/nfs/dbraw/zinc/94/83/52/192948352.db2.gz	WBOSQFUFVCVWGK-SECBINFHSA-N	-1	0	265.331	0.314	20	30		CCEDRM
C=CCOCCNC(=O)c1ccc2oc(=O)nc-2[n-]1	ZINC000613364549	364226478	/nfs/dbraw/zinc/22/64/78/364226478.db2.gz	PUPQGZSYFYWJGU-UHFFFAOYSA-N	-1	0	263.253	0.861	20	30		CCEDRM
C[C@@H]1CN(C(=O)N=c2[n-]n(C)cc2C#N)[C@@H](C)[C@@H](C)O1	ZINC000615025476	364822219	/nfs/dbraw/zinc/82/22/19/364822219.db2.gz	RGUJDGYGFSODBV-KXUCPTDWSA-N	-1	0	277.328	0.743	20	30		CCEDRM
Cc1cc(=NC(=O)N2CC[C@@](F)(C#N)C2)[n-]nc1C	ZINC000615535633	364994783	/nfs/dbraw/zinc/99/47/83/364994783.db2.gz	UOTSIAPMCFEVQG-GFCCVEGCSA-N	-1	0	263.276	0.985	20	30		CCEDRM
C=CCCNC(=O)C(=O)N1CC[C@H](C(=O)[O-])[C@@H](C)C1	ZINC000627279029	368942568	/nfs/dbraw/zinc/94/25/68/368942568.db2.gz	FLBNTWZZSDSSCZ-UWVGGRQHSA-N	-1	0	268.313	0.248	20	30		CCEDRM
CC#CCN(C)C(=O)c1ccc([N-]S(C)(=O)=O)nc1	ZINC000627552828	369037041	/nfs/dbraw/zinc/03/70/41/369037041.db2.gz	ASCNPKAUCANFBY-UHFFFAOYSA-N	-1	0	281.337	0.548	20	30		CCEDRM
C=C(C)[C@H]1OCC[C@H]1CNS(=O)(=O)c1ncc[n-]1	ZINC000632301451	370972588	/nfs/dbraw/zinc/97/25/88/370972588.db2.gz	ZURFNMXNCVYWOM-VHSXEESVSA-N	-1	0	271.342	0.669	20	30		CCEDRM
C=C(C)CS(=O)(=O)N1CC(F)(F)C[C@H]1C(=O)[O-]	ZINC000629309871	369629161	/nfs/dbraw/zinc/62/91/61/369629161.db2.gz	WZCRFGYSSCCDRG-ZETCQYMHSA-N	-1	0	269.269	0.687	20	30		CCEDRM
C=C(C)CS(=O)(=O)NCc1ncc(C(=O)[O-])cn1	ZINC000629313807	369629985	/nfs/dbraw/zinc/62/99/85/369629985.db2.gz	HEPMLPVLLZMXQD-UHFFFAOYSA-N	-1	0	271.298	0.170	20	30		CCEDRM
C=CCOC[C@@H](NC(=O)c1ncoc1C)C(=O)[O-]	ZINC000630186882	369995934	/nfs/dbraw/zinc/99/59/34/369995934.db2.gz	ZJPAYTNEGRNSPM-MRVPVSSYSA-N	-1	0	254.242	0.369	20	30		CCEDRM
C=C[C@@H]1OCC[C@H]1CNC(=O)Cn1cc(C(=O)[O-])cn1	ZINC000630195435	370000348	/nfs/dbraw/zinc/00/03/48/370000348.db2.gz	MGZRLCWUHXFEAW-ONGXEEELSA-N	-1	0	279.296	0.289	20	30		CCEDRM
C=CCN(C(=O)c1cc(C(=O)[O-])nn1C)[C@@H](C)COC	ZINC000630207261	370007656	/nfs/dbraw/zinc/00/76/56/370007656.db2.gz	LCHWAGSZXHRZRO-VIFPVBQESA-N	-1	0	281.312	0.781	20	30		CCEDRM
C=CCCOCC(=O)N1CC[C@](OC)(C(=O)[O-])C1	ZINC000630252504	370023504	/nfs/dbraw/zinc/02/35/04/370023504.db2.gz	QLTNULLKAABILO-GFCCVEGCSA-N	-1	0	257.286	0.281	20	30		CCEDRM
C=C(C)C[C@H](NC(=O)c1cc(OC)n(C)n1)C(=O)[O-]	ZINC000630321311	370046883	/nfs/dbraw/zinc/04/68/83/370046883.db2.gz	HREMOOSXHKCAOV-VIFPVBQESA-N	-1	0	267.285	0.578	20	30		CCEDRM
C=C(C)C[C@H](NC(=O)Cn1ccc(C)cc1=O)C(=O)[O-]	ZINC000630322126	370046950	/nfs/dbraw/zinc/04/69/50/370046950.db2.gz	PPISXXZSLAYXLZ-NSHDSACASA-N	-1	0	278.308	0.692	20	30		CCEDRM
C=C(C)C[C@@H](NC(=O)c1ccc(OC)nn1)C(=O)[O-]	ZINC000630326031	370047583	/nfs/dbraw/zinc/04/75/83/370047583.db2.gz	MULYKECUETZHMM-SECBINFHSA-N	-1	0	265.269	0.634	20	30		CCEDRM
C=C(C)C[C@H](NC(=O)c1ccc(OC)nn1)C(=O)[O-]	ZINC000630326034	370047701	/nfs/dbraw/zinc/04/77/01/370047701.db2.gz	MULYKECUETZHMM-VIFPVBQESA-N	-1	0	265.269	0.634	20	30		CCEDRM
C=CCC[C@@H](NC(=O)COc1cccnc1)C(=O)[O-]	ZINC000630181653	369994010	/nfs/dbraw/zinc/99/40/10/369994010.db2.gz	KCJKMORQLUWHGX-LLVKDONJSA-N	-1	0	264.281	0.996	20	30		CCEDRM
C=C(C)C[C@@H](NS(=O)(=O)C[C@H]1CCCO1)C(=O)[O-]	ZINC000630438591	370117243	/nfs/dbraw/zinc/11/72/43/370117243.db2.gz	SITFDIXXQJSIHG-NXEZZACHSA-N	-1	0	277.342	0.504	20	30		CCEDRM
C=C(C)C[C@H](NS(=O)(=O)N1CCC[C@@H](C)C1)C(=O)[O-]	ZINC000630438565	370117412	/nfs/dbraw/zinc/11/74/12/370117412.db2.gz	RRSMYLBONJTRNP-MNOVXSKESA-N	-1	0	290.385	0.972	20	30		CCEDRM
COc1cc(OCC(=O)NCC(=O)[O-])ccc1C#N	ZINC000567676376	291501033	/nfs/dbraw/zinc/50/10/33/291501033.db2.gz	DHOCVQXFOYGXLX-UHFFFAOYSA-N	-1	0	264.237	0.146	20	30		CCEDRM
Cc1cc(C#N)cc(NC(=O)C(=O)NCCCC(=O)[O-])c1	ZINC000567867156	291527586	/nfs/dbraw/zinc/52/75/86/291527586.db2.gz	HTZUZMNHLXILLM-UHFFFAOYSA-N	-1	0	289.291	0.786	20	30		CCEDRM
C=CCn1cc(CNC(=O)[C@H]2[C@H](C(=O)[O-])C2(C)C)nn1	ZINC000634843743	372268541	/nfs/dbraw/zinc/26/85/41/372268541.db2.gz	USDGEYGWZGYJHU-NXEZZACHSA-N	-1	0	278.312	0.437	20	30		CCEDRM
C=CCOCCNC(=O)N[C@](C)(CCF)C(=O)[O-]	ZINC000656581947	412829866	/nfs/dbraw/zinc/82/98/66/412829866.db2.gz	DQWNNIQWZBDDKW-LLVKDONJSA-N	-1	0	262.281	0.691	20	30		CCEDRM
C=CCCNC(=O)N[C@@H](C(=O)[O-])[C@H]1CCCOC1	ZINC000656588670	412831629	/nfs/dbraw/zinc/83/16/29/412831629.db2.gz	POFWASHKZVVAQQ-VHSXEESVSA-N	-1	0	256.302	0.742	20	30		CCEDRM
C=CC[C@H](CO)CNS(=O)(=O)c1ccccc1[O-]	ZINC000656950447	412867698	/nfs/dbraw/zinc/86/76/98/412867698.db2.gz	ADEBSEMLXCMMNR-JTQLQIEISA-N	-1	0	271.338	0.855	20	30		CCEDRM
C=CCNC(=O)C(C#N)=C([O-])c1cnc(C)nc1C	ZINC000777302256	581112378	/nfs/dbraw/zinc/11/23/78/581112378.db2.gz	JWLCFCKMJQYBGO-JTQLQIEISA-N	-1	0	258.281	0.718	20	30		CCEDRM
C=CCN1C(=O)N=NC1SC[C@@H](COC)OC	ZINC000657252082	412942460	/nfs/dbraw/zinc/94/24/60/412942460.db2.gz	RLBPSGYCIOMTOB-MRVPVSSYSA-N	-1	0	259.331	0.923	20	30		CCEDRM
C#CCO[N-]C(=O)C1=NN(c2ccccc2)[C@H](C(C)=O)C1	ZINC000291160779	388918022	/nfs/dbraw/zinc/91/80/22/388918022.db2.gz	CIGSXIHAWKOLKE-AWEZNQCLSA-N	-1	0	285.303	0.891	20	30		CCEDRM
C=CCCS(=O)(=O)[N-]c1ccn(CCC(N)=O)n1	ZINC000120225301	389142050	/nfs/dbraw/zinc/14/20/50/389142050.db2.gz	UCQIJQARNYDMDU-UHFFFAOYSA-N	-1	0	272.330	0.076	20	30		CCEDRM
O=C(N[C@@H]1CCCOC1)c1cccn2c([O-])nnc12	ZINC000329363637	389159618	/nfs/dbraw/zinc/15/96/18/389159618.db2.gz	ZOPKUGZNRHGHJE-MRVPVSSYSA-N	-1	0	262.269	0.919	20	30		CCEDRM
C=CC[C@@H](CO)NC(=O)N=c1ccc(OC(C)C)n[n-]1	ZINC000346530576	389331623	/nfs/dbraw/zinc/33/16/23/389331623.db2.gz	DCZDZPWEXPLZRC-JTQLQIEISA-N	-1	0	280.328	0.744	20	30		CCEDRM
CC#CCC[N-]S(=O)(=O)c1scnc1C(=O)OC	ZINC000158291838	389338707	/nfs/dbraw/zinc/33/87/07/389338707.db2.gz	UQAWNRLHXYLDON-UHFFFAOYSA-N	-1	0	288.350	0.621	20	30		CCEDRM
Cc1cc(C#N)ccc1C(=O)N1CCO[C@H](c2nnn[n-]2)C1	ZINC000370813810	389416162	/nfs/dbraw/zinc/41/61/62/389416162.db2.gz	CAYOLSZDBSWEGM-LBPRGKRZSA-N	-1	0	298.306	0.594	20	30		CCEDRM
CC[C@@](C)(CNS(=O)(=O)c1ccc(C#N)nc1)C(=O)[O-]	ZINC000159672637	389372042	/nfs/dbraw/zinc/37/20/42/389372042.db2.gz	QPBOHITXNNVXNM-LBPRGKRZSA-N	-1	0	297.336	0.732	20	30		CCEDRM
CC[C@H](CS(=O)(=O)[N-]c1ccc(C#N)cn1)OC	ZINC000421229338	389355118	/nfs/dbraw/zinc/35/51/18/389355118.db2.gz	RWRAQWFSRGPUGM-SNVBAGLBSA-N	-1	0	269.326	0.542	20	30		CCEDRM
CC[C@@H](CS(=O)(=O)[N-]c1n[nH]c(C)c1C#N)OC	ZINC000421242302	389356013	/nfs/dbraw/zinc/35/60/13/389356013.db2.gz	YMSNWRVHNPXUOC-QMMMGPOBSA-N	-1	0	272.330	0.757	20	30		CCEDRM
C[C@H]1CCN(S(=O)(=O)[N-]c2nn(C)cc2C#N)C1	ZINC000349972385	389471646	/nfs/dbraw/zinc/47/16/46/389471646.db2.gz	ZKAWWXFVCZRPDT-QMMMGPOBSA-N	-1	0	269.330	0.290	20	30		CCEDRM
C=CC[C@H](CO)CN=c1[n-]c(C2CCOCC2)no1	ZINC000413219537	389483578	/nfs/dbraw/zinc/48/35/78/389483578.db2.gz	DLFRLMMRAGKYTQ-JTQLQIEISA-N	-1	0	267.329	0.982	20	30		CCEDRM
C#CCN(C(=O)c1c[nH]c2nc(=O)[n-]c(=O)c-2c1)C1CC1	ZINC000274123610	389486693	/nfs/dbraw/zinc/48/66/93/389486693.db2.gz	TXJXXLFJFXAMHM-UHFFFAOYSA-N	-1	0	284.275	0.674	20	30		CCEDRM
C=C[C@H](CO)[N-]S(=O)(=O)c1c(F)cccc1F	ZINC000349798509	389437964	/nfs/dbraw/zinc/43/79/64/389437964.db2.gz	IOCSCJGDCPEBRN-SSDOTTSWSA-N	-1	0	263.265	0.790	20	30		CCEDRM
C=CC[C@H](CC)NC(=O)CSc1n[nH]c(=O)[n-]1	ZINC000281858648	389628897	/nfs/dbraw/zinc/62/88/97/389628897.db2.gz	YQNZVFYNKJYLNY-ZETCQYMHSA-N	-1	0	256.331	0.661	20	30		CCEDRM
C=CCCn1cc(C(=O)N2CCOC[C@H]2CC(=O)[O-])nn1	ZINC000425237009	389642475	/nfs/dbraw/zinc/64/24/75/389642475.db2.gz	GJIQQGNXVRSXDB-SNVBAGLBSA-N	-1	0	294.311	0.170	20	30		CCEDRM
C=CCCn1cc(C(=O)NC2(C(=O)[O-])CC2)nn1	ZINC000425247763	389642606	/nfs/dbraw/zinc/64/26/06/389642606.db2.gz	YYQFUCLVXYDVFQ-UHFFFAOYSA-N	-1	0	250.258	0.201	20	30		CCEDRM
Cn1cc(C#N)c(=NC(=O)c2ncc(F)cc2F)[n-]1	ZINC000428641681	389711346	/nfs/dbraw/zinc/71/13/46/389711346.db2.gz	WJTTWFKRXAWDJM-UHFFFAOYSA-N	-1	0	263.207	0.639	20	30		CCEDRM
CC[C@H](C#N)S(=O)(=O)[N-]c1ccc(-c2nn[nH]n2)cc1	ZINC000416938714	389782278	/nfs/dbraw/zinc/78/22/78/389782278.db2.gz	LTNLNDIDORZMNA-SNVBAGLBSA-N	-1	0	292.324	0.911	20	30		CCEDRM
CC(C)(NC(=O)c1ccc(C#N)c(O)c1)c1nnn[n-]1	ZINC000442673761	389855721	/nfs/dbraw/zinc/85/57/21/389855721.db2.gz	VVHATIWELGNZDT-UHFFFAOYSA-N	-1	0	272.268	0.442	20	30		CCEDRM
C=CCNC(=O)N=c1ccc(-c2cnn(C)c2)n[n-]1	ZINC000433678680	389917598	/nfs/dbraw/zinc/91/75/98/389917598.db2.gz	RBSUOIDPIZQPSA-UHFFFAOYSA-N	-1	0	258.285	0.607	20	30		CCEDRM
C=CC[C@@H](CC)NC(=O)C(=O)N1C[C@@H](C)[C@H](C(=O)[O-])C1	ZINC000420550636	390011993	/nfs/dbraw/zinc/01/19/93/390011993.db2.gz	FTODJJCIHMOHGK-GMTAPVOTSA-N	-1	0	282.340	0.636	20	30		CCEDRM
C=C(C)[C@@H]1OCC[C@H]1CNC(=O)C(=O)NCCCC(=O)[O-]	ZINC000420578368	390013772	/nfs/dbraw/zinc/01/37/72/390013772.db2.gz	HOBTVUDWSBOUAS-JQWIXIFHSA-N	-1	0	298.339	0.065	20	30		CCEDRM
Cn1ccc(/C=C\C(=O)[N-]S(=O)(=O)CC2(C#N)CC2)c1	ZINC000492824950	390118502	/nfs/dbraw/zinc/11/85/02/390118502.db2.gz	REZIURJPKPXNLZ-IHWYPQMZSA-N	-1	0	293.348	0.788	20	30		CCEDRM
C=C[C@H](CCC(=O)[O-])NS(=O)(=O)N(C)[C@@H](C)C1CC1	ZINC000579081375	390138932	/nfs/dbraw/zinc/13/89/32/390138932.db2.gz	NMLNUCSVSODVTH-GXSJLCMTSA-N	-1	0	290.385	0.971	20	30		CCEDRM
CN(CCC#N)S(=O)(=O)N1CCC[C@@H](CC(=O)[O-])C1	ZINC000535514074	390144630	/nfs/dbraw/zinc/14/46/30/390144630.db2.gz	QZQCVFVOCJDKKO-JTQLQIEISA-N	-1	0	289.357	0.263	20	30		CCEDRM
C=CCn1cc(C(=O)NCC(C)(C)C(=O)[O-])nn1	ZINC000647729718	390149116	/nfs/dbraw/zinc/14/91/16/390149116.db2.gz	OBCHVBRMFVREKW-UHFFFAOYSA-N	-1	0	252.274	0.305	20	30		CCEDRM
C=CCn1cc(C(=O)N2CC[C@H](C)[C@H](C(=O)[O-])C2)nn1	ZINC000647747650	390158468	/nfs/dbraw/zinc/15/84/68/390158468.db2.gz	TVMJAFVCBMXEGN-VHSXEESVSA-N	-1	0	278.312	0.647	20	30		CCEDRM
C=C(C)CS(=O)(=O)N[C@H](C(=O)[O-])c1cnn(C)c1C	ZINC000583567713	390293711	/nfs/dbraw/zinc/29/37/11/390293711.db2.gz	IZYIRXQSACSVLB-JTQLQIEISA-N	-1	0	287.341	0.350	20	30		CCEDRM
C=CC[C@H](NS(=O)(=O)c1cccc2c1OCC2)C(=O)[O-]	ZINC000643297536	390430447	/nfs/dbraw/zinc/43/04/47/390430447.db2.gz	LUSPASHGULIDKS-JTQLQIEISA-N	-1	0	297.332	0.929	20	30		CCEDRM
C=C(C)CS(=O)(=O)N[C@@H](CC(F)F)C(=O)[O-]	ZINC000646047134	390584326	/nfs/dbraw/zinc/58/43/26/390584326.db2.gz	AHROBMPDOFNLID-LURJTMIESA-N	-1	0	257.258	0.590	20	30		CCEDRM
C[C@@H](CC#N)N(C)S(=O)(=O)N(C)CC(C)(C)C(=O)[O-]	ZINC000566799376	390649690	/nfs/dbraw/zinc/64/96/90/390649690.db2.gz	GAHLNMARCDSSED-VIFPVBQESA-N	-1	0	291.373	0.508	20	30		CCEDRM
CC[C@H](CNS(=O)(=O)N(C)[C@H](C)CC#N)CC(=O)[O-]	ZINC000569697412	390716163	/nfs/dbraw/zinc/71/61/63/390716163.db2.gz	AZGMVUJCICOPRB-ZJUUUORDSA-N	-1	0	291.373	0.556	20	30		CCEDRM
N#Cc1ccc(CC(=O)[N-]S(=O)(=O)C2CCCC2)cn1	ZINC000528966450	390785927	/nfs/dbraw/zinc/78/59/27/390785927.db2.gz	ZBKWBNJQOKRIHJ-UHFFFAOYSA-N	-1	0	293.348	0.884	20	30		CCEDRM
N#Cc1c[n-]c(=O)n(Cc2nnc(C3CC3)s2)c1=O	ZINC000578748183	390899748	/nfs/dbraw/zinc/89/97/48/390899748.db2.gz	NGCKIYQUJIBECI-UHFFFAOYSA-N	-1	0	275.293	0.185	20	30		CCEDRM
C=CCNC(=O)NC(=O)[C@H](C)N(CCC)CC(=O)[O-]	ZINC000262390873	131217951	/nfs/dbraw/zinc/21/79/51/131217951.db2.gz	RFGOXSAOONOBBI-VIFPVBQESA-N	-1	0	271.317	0.183	20	30		CCEDRM
N#Cc1ccc(S(=O)(=O)N2CCC[C@@H]2C(=O)[O-])cc1F	ZINC000263149223	131283847	/nfs/dbraw/zinc/28/38/47/131283847.db2.gz	WTOPEKJYQVKXKR-LLVKDONJSA-N	-1	0	298.295	0.935	20	30		CCEDRM
CNc1ccc(C(=O)N=c2[nH][n-]c(C)c2C#N)cn1	ZINC000357248308	144073539	/nfs/dbraw/zinc/07/35/39/144073539.db2.gz	VQILTUIVQITDJZ-UHFFFAOYSA-N	-1	0	256.269	0.123	20	30		CCEDRM
N#Cc1c[nH]nc1[N-]S(=O)(=O)c1cn2c(n1)CCCC2	ZINC000371601260	144338625	/nfs/dbraw/zinc/33/86/25/144338625.db2.gz	HILJTECWJDUKGL-UHFFFAOYSA-N	-1	0	292.324	0.615	20	30		CCEDRM
C=C[C@H](CCC(=O)[O-])NS(=O)(=O)[C@@H]1CCO[C@@H]1C	ZINC000650421394	397718087	/nfs/dbraw/zinc/71/80/87/397718087.db2.gz	BAGQMXMJHMQICY-OPRDCNLKSA-N	-1	0	277.342	0.503	20	30		CCEDRM
C=CCOC[C@@H](NC(=O)[C@@H]1C[C@H]1OC(C)(C)C)C(=O)[O-]	ZINC000659155420	413319427	/nfs/dbraw/zinc/31/94/27/413319427.db2.gz	DDVMWMGIEDVCSQ-GMTAPVOTSA-N	-1	0	285.340	0.962	20	30		CCEDRM
C[C@H](Oc1ccc(C#N)cc1)C(=O)NCc1nnn[n-]1	ZINC000044928532	411631961	/nfs/dbraw/zinc/63/19/61/411631961.db2.gz	XNWPXFGMLLAIAT-QMMMGPOBSA-N	-1	0	272.268	0.155	20	30		CCEDRM
CC#CC[C@@H](NS(=O)(=O)N(C)CC(C)C)C(=O)[O-]	ZINC000541931390	411830425	/nfs/dbraw/zinc/83/04/25/411830425.db2.gz	WDTZDSDWCUEXJJ-SNVBAGLBSA-N	-1	0	276.358	0.275	20	30		CCEDRM
C=CCN(CC=C)C(=O)C(=O)N=c1ncn(C(C)C)[n-]1	ZINC000651510082	411889906	/nfs/dbraw/zinc/88/99/06/411889906.db2.gz	BGLDAFORKCAJPU-UHFFFAOYSA-N	-1	0	277.328	0.420	20	30		CCEDRM
C=C(C)CS(=O)(=O)N[C@@H](Cc1ccncc1)C(=O)[O-]	ZINC000653496174	412308296	/nfs/dbraw/zinc/30/82/96/412308296.db2.gz	HROVJABBFAMENW-NSHDSACASA-N	-1	0	284.337	0.573	20	30		CCEDRM
CC[C@H](NC(=O)COc1ccccc1C#N)C(=O)[O-]	ZINC000035096406	171974762	/nfs/dbraw/zinc/97/47/62/171974762.db2.gz	VHLZBGBEBDBBKU-JTQLQIEISA-N	-1	0	262.265	0.916	20	30		CCEDRM
CC[C@@H](NS(=O)(=O)Cc1ccccc1C#N)C(=O)[O-]	ZINC000035098152	171976783	/nfs/dbraw/zinc/97/67/83/171976783.db2.gz	CFOIDKSYNSFPMZ-LLVKDONJSA-N	-1	0	282.321	0.841	20	30		CCEDRM
C=CCCNC(=O)C(=O)N1C[C@H](C)C[C@@H](C(=O)[O-])C1	ZINC000659662318	413760737	/nfs/dbraw/zinc/76/07/37/413760737.db2.gz	DCLNKDQDNLFPNN-NXEZZACHSA-N	-1	0	268.313	0.248	20	30		CCEDRM
C=CCCn1cc(CN2CCSC[C@@H]2C(=O)[O-])nn1	ZINC000659789287	413879154	/nfs/dbraw/zinc/87/91/54/413879154.db2.gz	AOYYFCMGACOFBC-LLVKDONJSA-N	-1	0	282.369	0.856	20	30		CCEDRM
Cc1nc(C(=O)Nc2cnn(CC(=O)[O-])c2)ccc1C#N	ZINC000038029876	174021372	/nfs/dbraw/zinc/02/13/72/174021372.db2.gz	KLVPKQMHJQNWMD-UHFFFAOYSA-N	-1	0	285.263	0.795	20	30		CCEDRM
N#CC1(C(=O)N2CCC[C@H](c3n[nH]c(=O)[n-]3)C2)CCC1	ZINC000329064068	227279901	/nfs/dbraw/zinc/27/99/01/227279901.db2.gz	KLUNURXROBSXAK-VIFPVBQESA-N	-1	0	275.312	0.910	20	30		CCEDRM
O=C(N=c1cn[n-]s1)NC[C@@H]1CCCS1(=O)=O	ZINC000330254922	228082240	/nfs/dbraw/zinc/08/22/40/228082240.db2.gz	JQUMOQHNAYDYIO-LURJTMIESA-N	-1	0	276.343	0.441	20	30		CCEDRM
C=CCN(CC=C)S(=O)(=O)N(C)CCC(=O)[O-]	ZINC000088767388	544510973	/nfs/dbraw/zinc/51/09/73/544510973.db2.gz	IXQQIOGALZQKQC-UHFFFAOYSA-N	-1	0	262.331	0.312	20	30		CCEDRM
C=CC[C@H](NS(=O)(=O)c1cn(CC)c(C)n1)C(=O)[O-]	ZINC000161270721	544705970	/nfs/dbraw/zinc/70/59/70/544705970.db2.gz	JMUKJNBDXMJJGT-VIFPVBQESA-N	-1	0	287.341	0.519	20	30		CCEDRM
C=CCOCCNS(=O)(=O)c1cc(C(=O)[O-])oc1C	ZINC000311923294	545013206	/nfs/dbraw/zinc/01/32/06/545013206.db2.gz	HCWLISMHVPDFEC-UHFFFAOYSA-N	-1	0	289.309	0.767	20	30		CCEDRM
CS(=O)(=O)[N-]C(=O)CCNC(=O)c1ccc(F)cc1	ZINC000049003985	260203007	/nfs/dbraw/zinc/20/30/07/260203007.db2.gz	PFPWIRCMMGLMJX-UHFFFAOYSA-N	-1	0	288.300	0.862	20	30		CCEDRM
N#C[C@H](NC(=O)CSc1n[nH]c(=O)[n-]1)C1CCCCC1	ZINC000185796878	262071529	/nfs/dbraw/zinc/07/15/29/262071529.db2.gz	XPTBNDHTBPUGLA-VIFPVBQESA-N	-1	0	295.368	0.779	20	30		CCEDRM
CCN(CC#N)S(=O)(=O)c1cccc(C(=O)[O-])c1	ZINC000273721062	263019241	/nfs/dbraw/zinc/01/92/41/263019241.db2.gz	QMMMDJAKGVSHER-UHFFFAOYSA-N	-1	0	268.294	0.919	20	30		CCEDRM
CC#CC[C@H](NS(=O)(=O)CCCCC#N)C(=O)[O-]	ZINC000275068628	263032249	/nfs/dbraw/zinc/03/22/49/263032249.db2.gz	WCOAYTOCJCWFEE-JTQLQIEISA-N	-1	0	272.326	0.466	20	30		CCEDRM
N#C[C@@H]1CN(C(=O)c2cccc([O-])c2[N+](=O)[O-])CCO1	ZINC000281071292	263066297	/nfs/dbraw/zinc/06/62/97/263066297.db2.gz	ZTLKDSYWJOMSEW-MRVPVSSYSA-N	-1	0	277.236	0.665	20	30		CCEDRM
N#CC1(C(=O)Nc2ccc(-n3nn[n-]c3=O)cc2)CCC1	ZINC000282059668	263074119	/nfs/dbraw/zinc/07/41/19/263074119.db2.gz	ZKERDZWNXOTUOH-UHFFFAOYSA-N	-1	0	284.279	0.588	20	30		CCEDRM
C[C@H]([C@H](C)S(C)(=O)=O)N(C)C(=O)N=c1cn[n-]s1	ZINC000331172752	264146557	/nfs/dbraw/zinc/14/65/57/264146557.db2.gz	OQSGMGLRPWWODK-RQJHMYQMSA-N	-1	0	292.386	0.837	20	30		CCEDRM
C[C@H](CC#N)N(C)S(=O)(=O)N1CCCC[C@H]1C(=O)[O-]	ZINC000251659375	264294768	/nfs/dbraw/zinc/29/47/68/264294768.db2.gz	UDJIEBVZTIGIGU-ZJUUUORDSA-N	-1	0	289.357	0.404	20	30		CCEDRM
C=CCC(CC=C)C(=O)NCCc1nc(=O)o[n-]1	ZINC000280086273	264439875	/nfs/dbraw/zinc/43/98/75/264439875.db2.gz	LDDZHUDVZRGLLC-UHFFFAOYSA-N	-1	0	251.286	0.790	20	30		CCEDRM
C#CCO[N-]C(=O)[C@H]1CSCN1C(=O)CCCC	ZINC000291164392	264811334	/nfs/dbraw/zinc/81/13/34/264811334.db2.gz	CUXABGWGSAUURT-SNVBAGLBSA-N	-1	0	270.354	0.759	20	30		CCEDRM
C#CCO[N-]C(=O)CN1C(=O)N[C@@]2(CCCC[C@H]2C)C1=O	ZINC000291285552	264818460	/nfs/dbraw/zinc/81/84/60/264818460.db2.gz	PAKWSRMWDTZQDF-QMTHXVAHSA-N	-1	0	293.323	0.168	20	30		CCEDRM
C=CCCS(=O)(=O)N1CCn2cccc2[C@H]1C(=O)[O-]	ZINC000520398140	265795988	/nfs/dbraw/zinc/79/59/88/265795988.db2.gz	SGIDMHTVOOZQPR-NSHDSACASA-N	-1	0	284.337	0.835	20	30		CCEDRM
CCCCC(=O)N1CC(n2cc(C#N)c(=O)[n-]c2=O)C1	ZINC000530264780	267000250	/nfs/dbraw/zinc/00/02/50/267000250.db2.gz	CZNVJKUOKPWSNK-UHFFFAOYSA-N	-1	0	276.296	0.394	20	30		CCEDRM
CC[C@@H](C)C(=O)N1CC(n2cc(C#N)c(=O)[n-]c2=O)C1	ZINC000530265666	267182727	/nfs/dbraw/zinc/18/27/27/267182727.db2.gz	GKAPHYMDXUREDE-MRVPVSSYSA-N	-1	0	276.296	0.250	20	30		CCEDRM
C[C@H](CN(C)C(=O)c1ccc(C#N)[nH]1)c1nnn[n-]1	ZINC000352465548	278176984	/nfs/dbraw/zinc/17/69/84/278176984.db2.gz	LGFMFCNSFVLKJG-SSDOTTSWSA-N	-1	0	259.273	0.275	20	30		CCEDRM
C=C[C@H](CCC(=O)[O-])NS(=O)(=O)CCC(=O)OCC	ZINC000584335783	327905522	/nfs/dbraw/zinc/90/55/22/327905522.db2.gz	MCTQTPYMNAMVCL-SECBINFHSA-N	-1	0	293.341	0.278	20	30		CCEDRM
N#CC1(C(=O)NCC2(C(=O)[O-])CCC2)CCOCC1	ZINC000531751482	328030411	/nfs/dbraw/zinc/03/04/11/328030411.db2.gz	WUPHIAHXNSZQDJ-UHFFFAOYSA-N	-1	0	266.297	0.678	20	30		CCEDRM
Cc1cc(C)n2[n-]c(=NC(=O)NC[C@@H](C)C#N)nc2n1	ZINC000530735182	326889170	/nfs/dbraw/zinc/88/91/70/326889170.db2.gz	RBXHOBCRRSLGST-ZETCQYMHSA-N	-1	0	273.300	0.444	20	30		CCEDRM
C=C[C@H](CCC(=O)[O-])NS(=O)(=O)c1c[nH]cn1	ZINC000556714541	326960114	/nfs/dbraw/zinc/96/01/14/326960114.db2.gz	ICELJWAJICCEST-SSDOTTSWSA-N	-1	0	259.287	0.107	20	30		CCEDRM
C=CCCC[C@@H](C)NC(=O)Cn1cc(C(=O)[O-])nn1	ZINC000263555288	327080039	/nfs/dbraw/zinc/08/00/39/327080039.db2.gz	YMDHMFAGFYEUGF-SECBINFHSA-N	-1	0	266.301	0.837	20	30		CCEDRM
CC(C)[C@H](CO)C/N=C(/[O-])c1cnc2n(c1=O)CCS2	ZINC000330676099	327362759	/nfs/dbraw/zinc/36/27/59/327362759.db2.gz	JWHCTDHERUFVGK-VIFPVBQESA-N	-1	0	297.380	0.918	20	30		CCEDRM
C=CCN(C1CC1)S(=O)(=O)N1CCC[C@@H]1C(=O)[O-]	ZINC000582544220	329104649	/nfs/dbraw/zinc/10/46/49/329104649.db2.gz	ZMBWMAKMUZYUQL-SNVBAGLBSA-N	-1	0	274.342	0.431	20	30		CCEDRM
COC(=O)c1ncsc1S(=O)(=O)[N-]CCCC#N	ZINC000134705393	329660411	/nfs/dbraw/zinc/66/04/11/329660411.db2.gz	BTDKDNQMLQXPOG-UHFFFAOYSA-N	-1	0	289.338	0.512	20	30		CCEDRM
C=C(CC)CNC(=O)C(=O)N1CC[C@@](C)(C(=O)[O-])C1	ZINC000420576761	329777871	/nfs/dbraw/zinc/77/78/71/329777871.db2.gz	DLXMXGYGJGFWDB-CYBMUJFWSA-N	-1	0	268.313	0.392	20	30		CCEDRM
C=C[C@H]1CCCCN1C(=O)C(=O)NCCCC(=O)[O-]	ZINC000420589539	329778425	/nfs/dbraw/zinc/77/84/25/329778425.db2.gz	ISYWHOFNDDJXIZ-JTQLQIEISA-N	-1	0	268.313	0.535	20	30		CCEDRM
C=CCCO[C@H](C)C(=O)N1C[C@H](OC)C[C@@H]1C(=O)[O-]	ZINC000262216080	330001849	/nfs/dbraw/zinc/00/18/49/330001849.db2.gz	YYJWEZLQBAZIAC-GMTAPVOTSA-N	-1	0	271.313	0.668	20	30		CCEDRM
N#CC1(CS(=O)(=O)NCCCC(=O)[O-])CCCC1	ZINC000262425032	330009567	/nfs/dbraw/zinc/00/95/67/330009567.db2.gz	NSGPMHBEYWSJMK-UHFFFAOYSA-N	-1	0	274.342	0.855	20	30		CCEDRM
C=CCOC[C@H](NC(=O)c1ccoc1C)C(=O)[O-]	ZINC000263039133	330040176	/nfs/dbraw/zinc/04/01/76/330040176.db2.gz	PBBKGRMXIAMWPG-JTQLQIEISA-N	-1	0	253.254	0.974	20	30		CCEDRM
C=CCOC[C@@H](NC(=O)C[C@@H]1CCCO1)C(=O)[O-]	ZINC000263064378	330041667	/nfs/dbraw/zinc/04/16/67/330041667.db2.gz	QVRWDSRFCMAHEJ-VHSXEESVSA-N	-1	0	257.286	0.328	20	30		CCEDRM
C=CCOC[C@H](NC(=O)[C@H]1C[C@H]1OCC)C(=O)[O-]	ZINC000263176027	330047509	/nfs/dbraw/zinc/04/75/09/330047509.db2.gz	ZFPPOXGGYWBOHQ-LPEHRKFASA-N	-1	0	257.286	0.183	20	30		CCEDRM
C=C(C)CS(=O)(=O)N1C[C@H](C)C[C@@H](C(=O)[O-])C1	ZINC000263290467	330051725	/nfs/dbraw/zinc/05/17/25/330051725.db2.gz	YQXIBWYXFYTERX-NXEZZACHSA-N	-1	0	261.343	0.935	20	30		CCEDRM
C#C[C@H](NC(=O)N(C)C[C@H](C)C(=O)[O-])[C@@H]1CCCO1	ZINC000263376090	330053365	/nfs/dbraw/zinc/05/33/65/330053365.db2.gz	OGZZRALZFBPSBS-DCAQKATOSA-N	-1	0	268.313	0.529	20	30		CCEDRM
C#C[C@H](NC(=O)N1CC[C@@H](C(=O)[O-])C1)[C@@H]1CCCO1	ZINC000263407439	330054488	/nfs/dbraw/zinc/05/44/88/330054488.db2.gz	UCKXIYXBUCMACJ-VWYCJHECSA-N	-1	0	266.297	0.283	20	30		CCEDRM
N#CCC1(CS(=O)(=O)N2CCCC[C@H]2C(=O)[O-])CC1	ZINC000263490639	330057610	/nfs/dbraw/zinc/05/76/10/330057610.db2.gz	ONPMAYFXBWWNBK-JTQLQIEISA-N	-1	0	286.353	0.949	20	30		CCEDRM
CC(C)[C@H](NS(=O)(=O)N(C)C[C@@H](C)C#N)C(=O)[O-]	ZINC000263537462	330059082	/nfs/dbraw/zinc/05/90/82/330059082.db2.gz	AHRSYNIEBQDZCE-IUCAKERBSA-N	-1	0	277.346	0.021	20	30		CCEDRM
CC#CC[C@@H](NS(=O)(=O)CC1CCC1)C(=O)[O-]	ZINC000275017576	330108974	/nfs/dbraw/zinc/10/89/74/330108974.db2.gz	OIBINQWLHQPAFK-SNVBAGLBSA-N	-1	0	259.327	0.573	20	30		CCEDRM
C=C(C)CN(CC)C(=O)C(=O)N1CCC[C@H](C(=O)[O-])C1	ZINC000422708898	330151402	/nfs/dbraw/zinc/15/14/02/330151402.db2.gz	JUFPCUUZILQCIV-NSHDSACASA-N	-1	0	282.340	0.734	20	30		CCEDRM
C=CCCCN(C)C(=O)C(=O)N1CCC[C@H](C(=O)[O-])C1	ZINC000422838228	330157081	/nfs/dbraw/zinc/15/70/81/330157081.db2.gz	WRTCGJCMPFOJHO-NSHDSACASA-N	-1	0	282.340	0.734	20	30		CCEDRM
CC#CCN(C)C(=O)C(=O)N1C[C@H](C(=O)[O-])C[C@H](C)C1	ZINC000422947172	330161944	/nfs/dbraw/zinc/16/19/44/330161944.db2.gz	PYGAHAFPDBFEPY-WDEREUQCSA-N	-1	0	280.324	0.037	20	30		CCEDRM
C[C@H](C#N)CN(C)C(=O)C(=O)N1C[C@H](C)C[C@@H](C(=O)[O-])C1	ZINC000422944302	330162002	/nfs/dbraw/zinc/16/20/02/330162002.db2.gz	LJJVNSQJIYPLFJ-GMTAPVOTSA-N	-1	0	295.339	0.174	20	30		CCEDRM
CC(C)(CCNS(=O)(=O)CCCC#N)C(=O)[O-]	ZINC000424395236	330350099	/nfs/dbraw/zinc/35/00/99/330350099.db2.gz	UXXWRFOXCDDXIC-UHFFFAOYSA-N	-1	0	262.331	0.710	20	30		CCEDRM
C=CCCN(C)C(=O)C(=O)NC[C@H](CC(C)C)C(=O)[O-]	ZINC000424498749	330358946	/nfs/dbraw/zinc/35/89/46/330358946.db2.gz	XMGSGSUTZIKKRG-NSHDSACASA-N	-1	0	284.356	0.884	20	30		CCEDRM
CC(C)C[C@H](CNC(=O)C(=O)NCCCC#N)C(=O)[O-]	ZINC000424500025	330359185	/nfs/dbraw/zinc/35/91/85/330359185.db2.gz	ZMCDOYNKRHYTNZ-SNVBAGLBSA-N	-1	0	283.328	0.269	20	30		CCEDRM
C=CCOC[C@@H](NC(=O)NCc1ccco1)C(=O)[O-]	ZINC000514905762	330467520	/nfs/dbraw/zinc/46/75/20/330467520.db2.gz	VAXGYMJPAQPVED-SNVBAGLBSA-N	-1	0	268.269	0.735	20	30		CCEDRM
C=CCN(C(=O)C(=O)N=c1ncn(C(C)(C)C)[n-]1)C1CC1	ZINC000442404856	330775634	/nfs/dbraw/zinc/77/56/34/330775634.db2.gz	JDWZQOFDEFVOOT-UHFFFAOYSA-N	-1	0	291.355	0.571	20	30		CCEDRM
C#CCN(CC#N)C(=O)c1ccc([N+](=O)[O-])c([O-])c1	ZINC000491021024	332139838	/nfs/dbraw/zinc/13/98/38/332139838.db2.gz	KCWBLOQALFNHHH-UHFFFAOYSA-N	-1	0	259.221	0.899	20	30		CCEDRM
C#C[C@@H](CCC)NC(=O)N=c1[n-]nc(OC)s1	ZINC000491095681	332148825	/nfs/dbraw/zinc/14/88/25/332148825.db2.gz	MJQQKHJPHLMHOH-ZETCQYMHSA-N	-1	0	254.315	0.892	20	30		CCEDRM
C#C[C@H]1COCCN1C(=O)NCCCCCC(=O)[O-]	ZINC000491385913	332202154	/nfs/dbraw/zinc/20/21/54/332202154.db2.gz	SSXYFQITOUBIGD-NSHDSACASA-N	-1	0	268.313	0.675	20	30		CCEDRM
C#C[C@H]1COCCN1C(=O)c1cc([O-])cc([N+](=O)[O-])c1	ZINC000491699307	332293953	/nfs/dbraw/zinc/29/39/53/332293953.db2.gz	UQHOFLBMFBYHCA-JTQLQIEISA-N	-1	0	276.248	0.775	20	30		CCEDRM
CCC[C@@H](C#N)NC(=O)c1c[nH]c2nc(=O)[n-]c(=O)c-2c1	ZINC000523376197	333324569	/nfs/dbraw/zinc/32/45/69/333324569.db2.gz	QGTPZWLDZLGEEW-QMMMGPOBSA-N	-1	0	287.279	0.858	20	30		CCEDRM
C=CCS(=O)(=O)[N-]C(=O)[C@@H]1C[C@]1(C)Br	ZINC000528974462	333467049	/nfs/dbraw/zinc/46/70/49/333467049.db2.gz	VIMWMSSLOSJSSA-XPUUQOCRSA-N	-1	0	282.159	0.792	20	30		CCEDRM
C=CCSCCNS(=O)(=O)N1CCC[C@@H]1C(=O)[O-]	ZINC000576036581	335143908	/nfs/dbraw/zinc/14/39/08/335143908.db2.gz	YNNKQHNZJNKWMY-SECBINFHSA-N	-1	0	294.398	0.289	20	30		CCEDRM
C=CCN1CC[C@@H](n2[n-]c(SC)nc2=O)C1=O	ZINC000539708351	333686611	/nfs/dbraw/zinc/68/66/11/333686611.db2.gz	SUEMRWSBADJWBP-SSDOTTSWSA-N	-1	0	254.315	0.253	20	30		CCEDRM
N#Cc1c[n-]c(=O)n(Cc2cnoc2C2CC2)c1=O	ZINC000576107340	335155145	/nfs/dbraw/zinc/15/51/45/335155145.db2.gz	KDZBQDWVNKYXHD-UHFFFAOYSA-N	-1	0	258.237	0.322	20	30		CCEDRM
CC#CC[C@H](NS(=O)(=O)c1cncc(F)c1)C(=O)[O-]	ZINC000542861184	333845894	/nfs/dbraw/zinc/84/58/94/333845894.db2.gz	LTHCRKSYJBXINN-JTQLQIEISA-N	-1	0	286.284	0.366	20	30		CCEDRM
C=C(C)CNC(=O)C(=O)N=c1ncn(Cc2ccccc2)[n-]1	ZINC000547651575	334106096	/nfs/dbraw/zinc/10/60/96/334106096.db2.gz	CEJRVJKEXKUIMZ-UHFFFAOYSA-N	-1	0	299.334	0.379	20	30		CCEDRM
CC(C)[C@@H](CNS(=O)(=O)CC1(C#N)CC1)C(=O)[O-]	ZINC000547938516	334129947	/nfs/dbraw/zinc/12/99/47/334129947.db2.gz	AEAXKTJDIWMTAR-SECBINFHSA-N	-1	0	274.342	0.566	20	30		CCEDRM
C[C@@H]1CCN(S(=O)(=O)CCCC#N)[C@H]1C(=O)[O-]	ZINC000547923476	334129370	/nfs/dbraw/zinc/12/93/70/334129370.db2.gz	CDWOHWQDRNZXAR-RKDXNWHRSA-N	-1	0	260.315	0.415	20	30		CCEDRM
CN(CCC#N)S(=O)(=O)N1CCC[C@@](C)(C(=O)[O-])C1	ZINC000547917957	334129386	/nfs/dbraw/zinc/12/93/86/334129386.db2.gz	CLCFJQABPXKSRI-LLVKDONJSA-N	-1	0	289.357	0.263	20	30		CCEDRM
C[C@@H](CCCNS(=O)(=O)CCCC#N)C(=O)[O-]	ZINC000548228794	334146782	/nfs/dbraw/zinc/14/67/82/334146782.db2.gz	MNKLTTYYBZHHOS-VIFPVBQESA-N	-1	0	262.331	0.710	20	30		CCEDRM
COC(=O)c1ncsc1S(=O)(=O)[N-]C[C@@H](C)C#N	ZINC000136430625	334154695	/nfs/dbraw/zinc/15/46/95/334154695.db2.gz	OYAUCULYPCHFMG-LURJTMIESA-N	-1	0	289.338	0.368	20	30		CCEDRM
C=CCOC[C@H](NC(=O)NCc1c[nH]nc1C)C(=O)[O-]	ZINC000564980984	334531881	/nfs/dbraw/zinc/53/18/81/334531881.db2.gz	CGUPFZIGOMBZDK-JTQLQIEISA-N	-1	0	282.300	0.173	20	30		CCEDRM
C[C@@H](C#N)CNC(=O)N=c1ccc(-c2cnn(C)c2)n[n-]1	ZINC000565635638	334582297	/nfs/dbraw/zinc/58/22/97/334582297.db2.gz	DNVGOEMWTCEPMA-VIFPVBQESA-N	-1	0	285.311	0.580	20	30		CCEDRM
C=CCN(CC(=O)[O-])S(=O)(=O)c1cccn1C	ZINC000567241512	334697150	/nfs/dbraw/zinc/69/71/50/334697150.db2.gz	PORCWYNJSDAVGB-UHFFFAOYSA-N	-1	0	258.299	0.286	20	30		CCEDRM
C=CCC[C@@H](NC(=O)[C@@H]1CCCS1(=O)=O)C(=O)[O-]	ZINC000568412896	334824000	/nfs/dbraw/zinc/82/40/00/334824000.db2.gz	MUWOGJZJJQSACL-BDAKNGLRSA-N	-1	0	275.326	0.099	20	30		CCEDRM
C=CCC[C@H](NS(=O)(=O)N(CC)CC1CC1)C(=O)[O-]	ZINC000568580984	334831567	/nfs/dbraw/zinc/83/15/67/334831567.db2.gz	SPHQLHGVJCDPQE-NSHDSACASA-N	-1	0	290.385	0.972	20	30		CCEDRM
C=CCNc1ncc(C(=O)NCCC(=O)[O-])s1	ZINC000576517115	335213618	/nfs/dbraw/zinc/21/36/18/335213618.db2.gz	BOPGAFJCTSSOCL-UHFFFAOYSA-N	-1	0	255.299	0.367	20	30		CCEDRM
C=CCCn1cc(C(=O)N[C@H]2C[C@H](C(=O)[O-])C2)nn1	ZINC000580572295	335285778	/nfs/dbraw/zinc/28/57/78/335285778.db2.gz	QSOYGQIWYRTDAK-KYZUINATSA-N	-1	0	264.285	0.447	20	30		CCEDRM
C=CCNC(=O)CNC(=O)c1cc([O-])ccc1[N+](=O)[O-]	ZINC000354722308	335762263	/nfs/dbraw/zinc/76/22/63/335762263.db2.gz	PZBIEAQQDYDHKR-UHFFFAOYSA-N	-1	0	279.252	0.332	20	30		CCEDRM
CC(C)(C#N)CS(=O)(=O)[N-]C(=O)c1ccoc1	ZINC000776144982	582054468	/nfs/dbraw/zinc/05/44/68/582054468.db2.gz	YZPGHZHVAZCBCR-UHFFFAOYSA-N	-1	0	256.283	0.889	20	30		CCEDRM
CC#CC[C@@H](CO)NC(=O)c1ccc([O-])c([N+](=O)[O-])c1	ZINC000592927301	545102781	/nfs/dbraw/zinc/10/27/81/545102781.db2.gz	ZMJHYEGADNORSJ-JTQLQIEISA-N	-1	0	278.264	0.805	20	30		CCEDRM
N#CCC1(CS(=O)(=O)N2CCC(C(=O)[O-])CC2)CC1	ZINC000593265364	545102818	/nfs/dbraw/zinc/10/28/18/545102818.db2.gz	PZVOCMVOIKOUCK-UHFFFAOYSA-N	-1	0	286.353	0.807	20	30		CCEDRM
N#Cc1cccc(S(=O)(=O)N[C@@H](C(=O)[O-])C2CC2)c1	ZINC000054504712	526730833	/nfs/dbraw/zinc/73/08/33/526730833.db2.gz	TVYGFNUNBMHBBA-LLVKDONJSA-N	-1	0	280.305	0.700	20	30		CCEDRM
CC(C)(CCNS(=O)(=O)c1ccc(C#N)o1)C(=O)[O-]	ZINC000424393205	527047281	/nfs/dbraw/zinc/04/72/81/527047281.db2.gz	QWYYCEWODNSEMJ-UHFFFAOYSA-N	-1	0	286.309	0.930	20	30		CCEDRM
C=C[C@@H]1OCCC[C@H]1NC(=O)N=c1nc2n([n-]1)CCCC2	ZINC000333202337	527472064	/nfs/dbraw/zinc/47/20/64/527472064.db2.gz	RPOKBRICSSPNBJ-MNOVXSKESA-N	-1	0	291.355	0.891	20	30		CCEDRM
C=CCOC[C@@H](NC(=O)[C@@H](OC)C1CC1)C(=O)[O-]	ZINC000668290195	545171391	/nfs/dbraw/zinc/17/13/91/545171391.db2.gz	LWMPAZRBTJBXAC-ZJUUUORDSA-N	-1	0	257.286	0.183	20	30		CCEDRM
CC(C)N(CC(=O)[O-])S(=O)(=O)c1cncc(C#N)c1	ZINC000261591195	535040807	/nfs/dbraw/zinc/04/08/07/535040807.db2.gz	LSYDTOBTMGXICC-UHFFFAOYSA-N	-1	0	283.309	0.437	20	30		CCEDRM
C=CCCOCC(=O)NCC1(C(=O)[O-])CCOCC1	ZINC000683331463	545508375	/nfs/dbraw/zinc/50/83/75/545508375.db2.gz	NYPOJFWDRVYAFX-UHFFFAOYSA-N	-1	0	271.313	0.577	20	30		CCEDRM
N#Cc1ccc([C@H](C(=O)[O-])N2CCS(=O)CC2)cc1	ZINC000739104266	581179020	/nfs/dbraw/zinc/17/90/20/581179020.db2.gz	FNVCXCOGGFWRMU-GFCCVEGCSA-N	-1	0	278.333	0.748	20	30		CCEDRM
C[C@@H](CNC(=O)[O-])N(C)CC(=O)NC1(C#N)CCCCC1	ZINC000738938169	581204481	/nfs/dbraw/zinc/20/44/81/581204481.db2.gz	IFBLAYPBCPXQNC-NSHDSACASA-N	-1	0	296.371	0.917	20	30		CCEDRM
C[C@@H](CNC(=O)[O-])N(C)S(=O)(=O)CCCCC#N	ZINC000738945261	581212413	/nfs/dbraw/zinc/21/24/13/581212413.db2.gz	ZCKLWMWPIDBYPG-VIFPVBQESA-N	-1	0	277.346	0.598	20	30		CCEDRM
COCCO[N-]C(=O)C(=O)Nc1ccc(C#N)cc1OC	ZINC000789826041	581158425	/nfs/dbraw/zinc/15/84/25/581158425.db2.gz	SYVLPYRPIFFCBY-UHFFFAOYSA-N	-1	0	293.279	0.200	20	30		CCEDRM
CC#CCS(=O)(=O)[N-]C(=O)c1ccccc1OC	ZINC000791111788	581207556	/nfs/dbraw/zinc/20/75/56/581207556.db2.gz	ZLLSTHQCTRQIKF-UHFFFAOYSA-N	-1	0	267.306	0.778	20	30		CCEDRM
CNC(=O)C(C#N)=C([O-])c1ccc(OCCCOC)nc1	ZINC000726321380	581236759	/nfs/dbraw/zinc/23/67/59/581236759.db2.gz	GMMGJHCJFRWITB-NSHDSACASA-N	-1	0	291.307	0.565	20	30		CCEDRM
N#Cc1cc(C(=O)OCc2n[nH]c(=O)[n-]2)ccc1F	ZINC000792325029	581258255	/nfs/dbraw/zinc/25/82/55/581258255.db2.gz	ARBFWSYXYMWZKT-UHFFFAOYSA-N	-1	0	262.200	0.878	20	30		CCEDRM
Cc1cc(NC(=O)CN(C)C(=O)[O-])n(CCC#N)n1	ZINC000740084802	581282508	/nfs/dbraw/zinc/28/25/08/581282508.db2.gz	TYYABNDTQXUQMR-UHFFFAOYSA-N	-1	0	265.273	0.654	20	30		CCEDRM
CC[C@H](NN=Cc1cnc(N2CCCC2)nc1)C(=O)[O-]	ZINC000793073319	581283495	/nfs/dbraw/zinc/28/34/95/581283495.db2.gz	SEWKVFIWYRTGKR-NSHDSACASA-N	-1	0	277.328	0.864	20	30		CCEDRM
CC[C@@H](NN=C1CCC[C@@H](S(C)(=O)=O)C1)C(=O)[O-]	ZINC000793073498	581283732	/nfs/dbraw/zinc/28/37/32/581283732.db2.gz	WLCWESJXFDFQSU-NXEZZACHSA-N	-1	0	276.358	0.782	20	30		CCEDRM
N#CC1(CS(=O)(=O)[N-]C(=O)CCCn2cccn2)CC1	ZINC000793202806	581288173	/nfs/dbraw/zinc/28/81/73/581288173.db2.gz	BPTQDGUNSDPIJI-UHFFFAOYSA-N	-1	0	296.352	0.413	20	30		CCEDRM
CCn1cc(CC(=O)[N-]S(=O)(=O)CC2(C#N)CC2)cn1	ZINC000793211272	581288494	/nfs/dbraw/zinc/28/84/94/581288494.db2.gz	AGWWQWVPLNLSKF-UHFFFAOYSA-N	-1	0	296.352	0.195	20	30		CCEDRM
N#CC1(CS(=O)(=O)[N-]C(=O)[C@H]2CCCOC2)CC1	ZINC000793212665	581288501	/nfs/dbraw/zinc/28/85/01/581288501.db2.gz	QXVXDJATCOQQEN-VIFPVBQESA-N	-1	0	272.326	0.163	20	30		CCEDRM
N#C[C@@H]1CN(C(=O)[C@H]2CCCN(C(=O)[O-])C2)CCO1	ZINC000738422937	581316784	/nfs/dbraw/zinc/31/67/84/581316784.db2.gz	NSZAXSYMCOWZEO-VHSXEESVSA-N	-1	0	267.285	0.127	20	30		CCEDRM
N#CC1(C(=O)NC[C@@H]2CCCN2C(=O)[O-])CCC1	ZINC000740309680	581323776	/nfs/dbraw/zinc/32/37/76/581323776.db2.gz	LPTSGLHQNMOBCU-VIFPVBQESA-N	-1	0	251.286	0.939	20	30		CCEDRM
N#Cc1ncccc1OS(=O)(=O)c1cnc[n-]1	ZINC000795283225	581403070	/nfs/dbraw/zinc/40/30/70/581403070.db2.gz	BBEYWOMBZQFUNX-UHFFFAOYSA-N	-1	0	250.239	0.444	20	30		CCEDRM
C#CCOCCC(=O)[N-]S(=O)(=O)Cc1cccc(F)c1	ZINC000785244520	581404036	/nfs/dbraw/zinc/40/40/36/581404036.db2.gz	VZXUOQGQMHMWNM-UHFFFAOYSA-N	-1	0	299.323	0.812	20	30		CCEDRM
CC[C@](C)(C#N)C(=O)N1CCO[C@H](c2nnn[n-]2)C1	ZINC000796264208	581435488	/nfs/dbraw/zinc/43/54/88/581435488.db2.gz	JQFNMOZQOVVXRT-GZMMTYOYSA-N	-1	0	264.289	0.039	20	30		CCEDRM
COC/C=C/C(=O)OCc1cc(=O)n2[n-]cc(C#N)c2n1	ZINC000786607417	581446275	/nfs/dbraw/zinc/44/62/75/581446275.db2.gz	DNJAGLHQAZIKGD-NSCUHMNNSA-N	-1	0	288.263	0.552	20	30		CCEDRM
CO[C@H](C(=O)[N-]S(=O)(=O)c1cccc(C#N)c1)C1CC1	ZINC000796624816	581446533	/nfs/dbraw/zinc/44/65/33/581446533.db2.gz	CJDXNFSGGWAUPX-LBPRGKRZSA-N	-1	0	294.332	0.788	20	30		CCEDRM
C=CCS(=O)(=O)[N-]C(=O)c1nnn(C(C)C)c1C	ZINC000796995648	581457381	/nfs/dbraw/zinc/45/73/81/581457381.db2.gz	FYNSYBMXGREFTQ-UHFFFAOYSA-N	-1	0	272.330	0.413	20	30		CCEDRM
C=CCOCC(=O)[N-]S(=O)(=O)CCC(F)(F)F	ZINC000797260683	581463119	/nfs/dbraw/zinc/46/31/19/581463119.db2.gz	ATSKQGSXUGBOAY-UHFFFAOYSA-N	-1	0	275.248	0.587	20	30		CCEDRM
CC#CCCCC(=O)[N-]S(=O)(=O)[C@@H](C)C(=O)OC	ZINC000797300229	581464304	/nfs/dbraw/zinc/46/43/04/581464304.db2.gz	MBPJSXYADJTKMP-VIFPVBQESA-N	-1	0	275.326	0.188	20	30		CCEDRM
C=CCS(=O)(=O)[N-]C(=O)Cc1cccc(OCC#N)c1	ZINC000788202981	581485422	/nfs/dbraw/zinc/48/54/22/581485422.db2.gz	MBIFNJYXGKVHTM-UHFFFAOYSA-N	-1	0	294.332	0.763	20	30		CCEDRM
Cc1nc2cc[n-]n2c(=O)c1CC(=O)O[C@H](C)CC#N	ZINC000733711977	581520965	/nfs/dbraw/zinc/52/09/65/581520965.db2.gz	QUDYXWBKMHTZHA-MRVPVSSYSA-N	-1	0	274.280	0.719	20	30		CCEDRM
C=CCCO[C@H](C)C(=O)[N-]S(=O)(=O)[C@H]1CCOC1	ZINC000733724660	581521780	/nfs/dbraw/zinc/52/17/80/581521780.db2.gz	WKVWLTPHFORQLW-ZJUUUORDSA-N	-1	0	277.342	0.203	20	30		CCEDRM
CC[C@@](C)(C#N)NC(=O)CN(CCOC)C(=O)[O-]	ZINC000739212361	581524218	/nfs/dbraw/zinc/52/42/18/581524218.db2.gz	BOBJPJJQFYFQQZ-NSHDSACASA-N	-1	0	257.290	0.421	20	30		CCEDRM
CNC(=O)C(C#N)=C([O-])c1ccc(-n2cccc2)nc1	ZINC000753400718	581539137	/nfs/dbraw/zinc/53/91/37/581539137.db2.gz	SVMMOSWUYMYHSU-NSHDSACASA-N	-1	0	268.276	0.941	20	30		CCEDRM
N#CC(C(=O)NC1CC1)=C([O-])c1cn2ccccc2n1	ZINC000729069393	581546499	/nfs/dbraw/zinc/54/64/99/581546499.db2.gz	JOTKIGSUXGPPGI-SNVBAGLBSA-N	-1	0	268.276	0.935	20	30		CCEDRM
COCCNC(=O)C(C#N)=C([O-])c1cn2ccccc2n1	ZINC000729070292	581546606	/nfs/dbraw/zinc/54/66/06/581546606.db2.gz	SRUZBNHOKQLHEG-JTQLQIEISA-N	-1	0	286.291	0.419	20	30		CCEDRM
Cn1nnc2cc(C([O-])=C(C#N)C(=O)N3CCCC3)ccc21	ZINC000729186092	581557790	/nfs/dbraw/zinc/55/77/90/581557790.db2.gz	AZSVDDKDQFLGHF-LLVKDONJSA-N	-1	0	297.318	0.913	20	30		CCEDRM
N#CC1(CS(=O)(=O)[N-]C(=O)c2ccco2)CC1	ZINC000753945089	581566162	/nfs/dbraw/zinc/56/61/62/581566162.db2.gz	JOXGTQRRHXQGJK-UHFFFAOYSA-N	-1	0	254.267	0.643	20	30		CCEDRM
N#CC1(CS(=O)(=O)[N-]C(=O)C2CCCC2)CC1	ZINC000753944671	581566213	/nfs/dbraw/zinc/56/62/13/581566213.db2.gz	DJYWVRCKIGSAHV-UHFFFAOYSA-N	-1	0	256.327	0.926	20	30		CCEDRM
O=C([O-])c1ccccc1C=Nn1c(=O)cn[nH]c1=S	ZINC000766478269	581568215	/nfs/dbraw/zinc/56/82/15/581568215.db2.gz	ONZDGMHWAQOPPF-UHFFFAOYSA-N	-1	0	276.277	0.507	20	30		CCEDRM
CN(CC(=O)[C@@H](C#N)C(=O)NCc1ccccc1)C(=O)[O-]	ZINC000739616226	581581123	/nfs/dbraw/zinc/58/11/23/581581123.db2.gz	GGZVPYDIUWCGJO-LLVKDONJSA-N	-1	0	289.291	0.621	20	30		CCEDRM
CN(CC(=O)OCC(=O)NC1(C#N)CCCCC1)C(=O)[O-]	ZINC000739630339	581584137	/nfs/dbraw/zinc/58/41/37/581584137.db2.gz	DCEOXPSBIZZNPH-UHFFFAOYSA-N	-1	0	297.311	0.482	20	30		CCEDRM
C=CCOCC(=O)[N-]S(=O)(=O)Cc1cccnc1	ZINC000766910692	581587023	/nfs/dbraw/zinc/58/70/23/581587023.db2.gz	STNZBLROOIBIAH-UHFFFAOYSA-N	-1	0	270.310	0.230	20	30		CCEDRM
CN(CCC#N)C(=O)c1csc(CNC(=O)[O-])n1	ZINC000739664403	581589397	/nfs/dbraw/zinc/58/93/97/581589397.db2.gz	RFOSGWKTSGGZOR-UHFFFAOYSA-N	-1	0	268.298	0.896	20	30		CCEDRM
C=CCOCC(=O)[N-]S(=O)(=O)CCCCOC	ZINC000766967846	581590318	/nfs/dbraw/zinc/59/03/18/581590318.db2.gz	DAYJIMAXHSZRAG-UHFFFAOYSA-N	-1	0	265.331	0.062	20	30		CCEDRM
CN1CCN(N=C2CCC[C@@H]2CNC(=O)[O-])CC1	ZINC000739735875	581606379	/nfs/dbraw/zinc/60/63/79/581606379.db2.gz	GAFDOBCMNZACID-SNVBAGLBSA-N	-1	0	254.334	0.658	20	30		CCEDRM
COCCN(CC(=O)N(CCC#N)C(C)C)C(=O)[O-]	ZINC000739818192	581623659	/nfs/dbraw/zinc/62/36/59/581623659.db2.gz	YOEPUXDCZOGPCD-UHFFFAOYSA-N	-1	0	271.317	0.763	20	30		CCEDRM
C=CCNC(=O)C(C#N)=C([O-])c1cnn2ccccc12	ZINC000735206793	581632008	/nfs/dbraw/zinc/63/20/08/581632008.db2.gz	NHXQLMQQLQBCNM-SNVBAGLBSA-N	-1	0	268.276	0.959	20	30		CCEDRM
C#Cc1ccc(C(=O)NC2(c3nnn[n-]3)CCCC2)nc1	ZINC000735389573	581642596	/nfs/dbraw/zinc/64/25/96/581642596.db2.gz	CPMDVUPBDQAFLV-UHFFFAOYSA-N	-1	0	282.307	0.775	20	30		CCEDRM
CSCC[C@H](NC(=O)[O-])C(=O)NC[C@@H](C)C#N	ZINC000740011822	581644944	/nfs/dbraw/zinc/64/49/44/581644944.db2.gz	XEFGQNJQNJZIEM-YUMQZZPRSA-N	-1	0	259.331	0.652	20	30		CCEDRM
N#CCCCS(=O)(=O)NC[C@H]1CCCCN1C(=O)[O-]	ZINC000740306374	581662904	/nfs/dbraw/zinc/66/29/04/581662904.db2.gz	FQRFAZCNVLTYTL-SNVBAGLBSA-N	-1	0	289.357	0.742	20	30		CCEDRM
N#CCN(CC#N)C(=O)CN(C[C@H]1CCCO1)C(=O)[O-]	ZINC000740305748	581663006	/nfs/dbraw/zinc/66/30/06/581663006.db2.gz	URCKHROTSMYQKG-SNVBAGLBSA-N	-1	0	280.284	0.021	20	30		CCEDRM
N#C[C@H]1CN(C(=O)N[C@H]2CCCCN(C(=O)[O-])C2)CCO1	ZINC000740306274	581663075	/nfs/dbraw/zinc/66/30/75/581663075.db2.gz	DPIOSKHSSTZMPO-QWRGUYRKSA-N	-1	0	296.327	0.453	20	30		CCEDRM
N#C[C@@H]1CN(C[C@@H]2CCCN(C(=O)[O-])C2)CCO1	ZINC000740308113	581663355	/nfs/dbraw/zinc/66/33/55/581663355.db2.gz	VYIUAVKPODQKKI-WDEREUQCSA-N	-1	0	253.302	0.601	20	30		CCEDRM
N#CCCCS(=O)(=O)N[C@H]1CCCCN(C(=O)[O-])C1	ZINC000740307611	581663515	/nfs/dbraw/zinc/66/35/15/581663515.db2.gz	RZMABKIQAXAIDI-JTQLQIEISA-N	-1	0	289.357	0.742	20	30		CCEDRM
N#C[C@@H]1CN(C(=O)CCCCCCNC(=O)[O-])CCO1	ZINC000740310722	581664056	/nfs/dbraw/zinc/66/40/56/581664056.db2.gz	WLABYSNLXDAQLZ-LLVKDONJSA-N	-1	0	283.328	0.955	20	30		CCEDRM
N#Cc1cnn(C(=O)C2CCC(NC(=O)[O-])CC2)c1N	ZINC000740325244	581665658	/nfs/dbraw/zinc/66/56/58/581665658.db2.gz	SQUGFHDKPWJSAD-UHFFFAOYSA-N	-1	0	277.284	0.804	20	30		CCEDRM
O=C([O-])N1CC[C@H](/N=C\c2ccc(O)c(O)c2O)C1	ZINC000740504817	581688573	/nfs/dbraw/zinc/68/85/73/581688573.db2.gz	FCARLKFOBIULLB-ZGJMHTSCSA-N	-1	0	266.253	0.975	20	30		CCEDRM
C=CCNC(=O)COC(=O)c1ccccc1C(=O)[O-]	ZINC000736106006	581696703	/nfs/dbraw/zinc/69/67/03/581696703.db2.gz	QGLADCZABXRMNY-UHFFFAOYSA-N	-1	0	263.249	0.844	20	30		CCEDRM
CC(=O)NCc1ccc(C(=O)N(CC#N)CC(=O)[O-])cc1	ZINC000736151752	581705159	/nfs/dbraw/zinc/70/51/59/581705159.db2.gz	BUTKNKMVMVKSAP-UHFFFAOYSA-N	-1	0	289.291	0.373	20	30		CCEDRM
Cc1nonc1C[N-]S(=O)(=O)c1cccnc1C#N	ZINC000758126816	581722524	/nfs/dbraw/zinc/72/25/24/581722524.db2.gz	TTYNFIYSZWJVNR-UHFFFAOYSA-N	-1	0	279.281	0.123	20	30		CCEDRM
CC(C)[C@@H](C#N)N1CCN(C(=O)CCCNC(=O)[O-])CC1	ZINC000736347238	581746834	/nfs/dbraw/zinc/74/68/34/581746834.db2.gz	HRAYIPIHZUALMS-GFCCVEGCSA-N	-1	0	296.371	0.727	20	30		CCEDRM
CCOC(=O)NCCC(=O)C(C#N)=C([O-])c1nccn1C	ZINC000770872248	581775469	/nfs/dbraw/zinc/77/54/69/581775469.db2.gz	YFQIDAUGVQCKMI-VIFPVBQESA-N	-1	0	292.295	0.448	20	30		CCEDRM
CO[C@H](C(=O)[N-]S(=O)(=O)CCCC#N)C(C)C	ZINC000770908314	581777248	/nfs/dbraw/zinc/77/72/48/581777248.db2.gz	FWDYMZOVTYOABI-VIFPVBQESA-N	-1	0	262.331	0.407	20	30		CCEDRM
O=C([O-])Cn1cc(/C=C/C(=O)c2cc(O)ccc2O)nn1	ZINC000759082600	581781941	/nfs/dbraw/zinc/78/19/41/581781941.db2.gz	FPJVSTFZRFIQGU-HNQUOIGGSA-N	-1	0	289.247	0.670	20	30		CCEDRM
COc1cc(C(C)=NOCC(N)=O)cc([N+](=O)[O-])c1[O-]	ZINC000771576299	581783353	/nfs/dbraw/zinc/78/33/53/581783353.db2.gz	VPOCTZHZFDNNDW-UHFFFAOYSA-N	-1	0	283.240	0.535	20	30		CCEDRM
N#CC1(CS(=O)(=O)[N-]C(=O)C2=COCCC2)CCC1	ZINC000771072435	581789126	/nfs/dbraw/zinc/78/91/26/581789126.db2.gz	WFKQHNWFAYHAER-UHFFFAOYSA-N	-1	0	284.337	0.821	20	30		CCEDRM
CC(C)OCCC(=O)[N-]S(=O)(=O)CC1(C#N)CCC1	ZINC000771073011	581789151	/nfs/dbraw/zinc/78/91/51/581789151.db2.gz	CAZUIRFPLJNUKT-UHFFFAOYSA-N	-1	0	288.369	0.941	20	30		CCEDRM
COC1(C(=O)[N-]S(=O)(=O)CC2(C#N)CCC2)CCC1	ZINC000771081311	581790236	/nfs/dbraw/zinc/79/02/36/581790236.db2.gz	SDZPYXLYPJPXDH-UHFFFAOYSA-N	-1	0	286.353	0.695	20	30		CCEDRM
CO[C@H](C)C(=O)[N-]S(=O)(=O)CC1(C#N)CCC1	ZINC000771078505	581790458	/nfs/dbraw/zinc/79/04/58/581790458.db2.gz	TWUSCJYEIMGLQB-MRVPVSSYSA-N	-1	0	260.315	0.161	20	30		CCEDRM
C#CCCCC(=O)[N-]S(=O)(=O)C[C@H]1CCOC1	ZINC000759612168	581811286	/nfs/dbraw/zinc/81/12/86/581811286.db2.gz	FMSYEPWROVLJAL-JTQLQIEISA-N	-1	0	259.327	0.272	20	30		CCEDRM
C#CCCCC(=O)[N-]S(=O)(=O)Cc1cccnc1	ZINC000759641938	581813101	/nfs/dbraw/zinc/81/31/01/581813101.db2.gz	BJDGLTAWTBQYNH-UHFFFAOYSA-N	-1	0	266.322	0.831	20	30		CCEDRM
N#Cc1ccc([O-])c(NC(=O)Cc2nc3ncccn3n2)c1	ZINC000759713153	581816935	/nfs/dbraw/zinc/81/69/35/581816935.db2.gz	IUJRHPLLQKYWKU-UHFFFAOYSA-N	-1	0	294.274	0.883	20	30		CCEDRM
C[C@@H](NC(=O)c1cc(=O)[nH][n-]1)c1cccc(C#N)c1	ZINC000743813048	581826134	/nfs/dbraw/zinc/82/61/34/581826134.db2.gz	MJVKLMXXHWBIKI-MRVPVSSYSA-N	-1	0	256.265	0.611	20	30		CCEDRM
CCN(C)S(=O)(=O)[N-]C(=O)/C=C\c1ccccc1C#N	ZINC000744239808	581835849	/nfs/dbraw/zinc/83/58/49/581835849.db2.gz	ANIUTYKHUQLJHG-HJWRWDBZSA-N	-1	0	293.348	0.884	20	30		CCEDRM
CCS(=O)(=O)[N-]C(=O)Cc1ccc(C#N)cc1	ZINC000732606536	581836886	/nfs/dbraw/zinc/83/68/86/581836886.db2.gz	JWVSBQMTARHEGI-UHFFFAOYSA-N	-1	0	252.295	0.567	20	30		CCEDRM
C=CCS(=O)(=O)[N-]C(=O)CCCn1ccccc1=O	ZINC000772712370	581842998	/nfs/dbraw/zinc/84/29/98/581842998.db2.gz	ACZMGRZNSNKASB-UHFFFAOYSA-N	-1	0	284.337	0.261	20	30		CCEDRM
COCCNC(=O)C(C#N)=C([O-])c1cc(C(=O)OC)co1	ZINC000760197260	581848887	/nfs/dbraw/zinc/84/88/87/581848887.db2.gz	GHKLMZKWVGVLMV-VIFPVBQESA-N	-1	0	294.263	0.151	20	30		CCEDRM
CCN(CCC#N)C(=O)CN1CCC[C@H]1C(=O)[O-]	ZINC000737094520	581902680	/nfs/dbraw/zinc/90/26/80/581902680.db2.gz	RVQRJFYADQRARH-JTQLQIEISA-N	-1	0	253.302	0.298	20	30		CCEDRM
CN(CC#N)CC(=O)NCc1ccc(NC(=O)[O-])cc1	ZINC000737388378	581951022	/nfs/dbraw/zinc/95/10/22/581951022.db2.gz	YVJGGSCICALICX-UHFFFAOYSA-N	-1	0	276.296	0.848	20	30		CCEDRM
CN(CCCC(=O)N1CCO[C@@H](C#N)C1)C(=O)[O-]	ZINC000737418787	581955713	/nfs/dbraw/zinc/95/57/13/581955713.db2.gz	RPSWXMKLQIHHAG-VIFPVBQESA-N	-1	0	255.274	0.127	20	30		CCEDRM
CN(CC(=O)Nc1cc(C#N)ccc1[O-])S(C)(=O)=O	ZINC000748002549	581959163	/nfs/dbraw/zinc/95/91/63/581959163.db2.gz	KVNFURMHMJNEJM-UHFFFAOYSA-N	-1	0	283.309	0.094	20	30		CCEDRM
O=[N+]([O-])c1ccc(C=NN2CCOCC2)cc1[O-]	ZINC000748131216	581963421	/nfs/dbraw/zinc/96/34/21/581963421.db2.gz	HYAMKGLWIAKHRT-UHFFFAOYSA-N	-1	0	251.242	0.967	20	30		CCEDRM
C#Cc1ccc(C(=O)N2CCC[C@H](NC(=O)[O-])C2)nc1	ZINC000737496000	581965274	/nfs/dbraw/zinc/96/52/74/581965274.db2.gz	NRYQNBBNWRCSJS-NSHDSACASA-N	-1	0	273.292	0.935	20	30		CCEDRM
COCc1nc(C(=O)[N-]S(=O)(=O)CCCC#N)co1	ZINC000774292160	581968927	/nfs/dbraw/zinc/96/89/27/581968927.db2.gz	MGUYIINGCLDCDY-UHFFFAOYSA-N	-1	0	287.297	0.184	20	30		CCEDRM
CN([C@H](C(=O)[O-])c1ccc(C#N)cc1)[C@H]1CCN(C)C1=O	ZINC000737515630	581970500	/nfs/dbraw/zinc/97/05/00/581970500.db2.gz	YWSXXDKFXUXZMB-STQMWFEESA-N	-1	0	287.319	0.846	20	30		CCEDRM
COC(=O)[C@H](c1ccc(C#N)cc1)N(C)CC(=O)[O-]	ZINC000738031699	582017146	/nfs/dbraw/zinc/01/71/46/582017146.db2.gz	ZBNYDRHFPGAUAD-LBPRGKRZSA-N	-1	0	262.265	0.789	20	30		CCEDRM
N#CC1(C(=O)NC2CCN(C(=O)[O-])CC2)CCC1	ZINC000738421554	582047788	/nfs/dbraw/zinc/04/77/88/582047788.db2.gz	FUBHXWTYUXBQAK-UHFFFAOYSA-N	-1	0	251.286	0.939	20	30		CCEDRM
C#CCNC(=O)N1CCC([C@@H](C)NC(=O)[O-])CC1	ZINC000738463010	582052013	/nfs/dbraw/zinc/05/20/13/582052013.db2.gz	JAIGCVYUUDBZJU-SECBINFHSA-N	-1	0	253.302	0.697	20	30		CCEDRM
CC(C)n1nccc1C(=O)[N-]S(=O)(=O)CCCC#N	ZINC000776117124	582052209	/nfs/dbraw/zinc/05/22/09/582052209.db2.gz	JLHLWBVEOMTMKY-UHFFFAOYSA-N	-1	0	284.341	0.827	20	30		CCEDRM
C#CCCNC(=O)N1CC[C@H](NC(=O)[O-])[C@@H](C)C1	ZINC000738457444	582052617	/nfs/dbraw/zinc/05/26/17/582052617.db2.gz	NXBJVUQVLRQMFB-UWVGGRQHSA-N	-1	0	253.302	0.697	20	30		CCEDRM
N#CCCCS(=O)(=O)[N-]C(=O)CC[C@@H]1CCCO1	ZINC000776121609	582052823	/nfs/dbraw/zinc/05/28/23/582052823.db2.gz	IPKIBQNJDWDFIA-JTQLQIEISA-N	-1	0	274.342	0.695	20	30		CCEDRM
C#Cc1ccc(C(=O)N[C@H](CNC(=O)[O-])C2CC2)cn1	ZINC000738467172	582053878	/nfs/dbraw/zinc/05/38/78/582053878.db2.gz	JYHUILCKMLALDD-GFCCVEGCSA-N	-1	0	273.292	0.839	20	30		CCEDRM
C=C(Br)CNC(=O)[C@H]1COCCN1C(=O)[O-]	ZINC000738470134	582054476	/nfs/dbraw/zinc/05/44/76/582054476.db2.gz	IUXQETKSNFYZHI-SSDOTTSWSA-N	-1	0	293.117	0.390	20	30		CCEDRM
CC(C)(C#N)CS(=O)(=O)[N-]C(=O)CC[C@@H]1CCOC1	ZINC000776146198	582055158	/nfs/dbraw/zinc/05/51/58/582055158.db2.gz	KUPSRXBVJKNJQF-SNVBAGLBSA-N	-1	0	288.369	0.799	20	30		CCEDRM
COCCNC(=O)C(C#N)=C([O-])c1ccc(C#N)s1	ZINC000750684847	582055379	/nfs/dbraw/zinc/05/53/79/582055379.db2.gz	WZBOGYPVPJZQLR-VIFPVBQESA-N	-1	0	277.305	0.705	20	30		CCEDRM
C=CCNC(=O)[C@@H](C)N1CCC[C@@H](N(C)C(=O)[O-])C1	ZINC000738495701	582056490	/nfs/dbraw/zinc/05/64/90/582056490.db2.gz	OBDRYIIKGWNLPL-GHMZBOCLSA-N	-1	0	269.345	0.751	20	30		CCEDRM
CS(=O)(=O)NN=Cc1cc(Cl)cc([N+](=O)[O-])c1[O-]	ZINC000764707009	582063776	/nfs/dbraw/zinc/06/37/76/582063776.db2.gz	JBSKJYDDQKRJIY-UHFFFAOYSA-N	-1	0	293.688	0.837	20	30		CCEDRM
C[C@@](C#N)(NC(=O)CN1CC[C@H](NC(=O)[O-])C1)C1CC1	ZINC000738596087	582064346	/nfs/dbraw/zinc/06/43/46/582064346.db2.gz	FVJCEWWBPQDAKM-GWCFXTLKSA-N	-1	0	280.328	0.137	20	30		CCEDRM
CC(C)NC(=O)[C@H](C#N)C(=O)[C@H]1CCN(C(=O)[O-])C1	ZINC000738854040	582083204	/nfs/dbraw/zinc/08/32/04/582083204.db2.gz	LSIDBTUIHPLTNI-DTWKUNHWSA-N	-1	0	267.285	0.220	20	30		CCEDRM
CN(CCC#N)S(=O)(=O)N(CCC(=O)[O-])C1CC1	ZINC000776656951	582085848	/nfs/dbraw/zinc/08/58/48/582085848.db2.gz	BNNLOERHJFQITD-UHFFFAOYSA-N	-1	0	275.330	0.016	20	30		CCEDRM
N#C[C@H](C(=O)CCNC(=O)[O-])C(=O)NC1CCCC1	ZINC000739073497	582101091	/nfs/dbraw/zinc/10/10/91/582101091.db2.gz	CUVWOOOAKZJLSV-SECBINFHSA-N	-1	0	267.285	0.412	20	30		CCEDRM
N#CCN(CC(=O)[O-])C(=O)c1cccc(Cl)n1	ZINC000739088491	582102121	/nfs/dbraw/zinc/10/21/21/582102121.db2.gz	VOPAJXRXHBZPQK-UHFFFAOYSA-N	-1	0	253.645	0.785	20	30		CCEDRM
N#CCN(CC(=O)[O-])C(=O)c1ccc2[nH]c(=O)[nH]c2c1	ZINC000739088704	582102185	/nfs/dbraw/zinc/10/21/85/582102185.db2.gz	ZEHPULRBEGVDOK-UHFFFAOYSA-N	-1	0	274.236	0.319	20	30		CCEDRM
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C[C@@](C#N)(CC(=O)[O-])C(=O)OCC(=O)NCC1CC1	ZINC000819865032	597613008	/nfs/dbraw/zinc/61/30/08/597613008.db2.gz	GIQOUGQKTTWZPX-LBPRGKRZSA-N	-1	0	268.269	0.060	20	30		CCEDRM
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Cn1cc(COC(=O)[C@@](C)(C#N)CC(=O)[O-])cn1	ZINC000821297736	597617876	/nfs/dbraw/zinc/61/78/76/597617876.db2.gz	GJACYBBMAGVXFC-LLVKDONJSA-N	-1	0	251.242	0.468	20	30		CCEDRM
C[C@@](C#N)(CC(=O)[O-])C(=O)OCc1cc(=O)c(O)co1	ZINC000819873331	597619915	/nfs/dbraw/zinc/61/99/15/597619915.db2.gz	AGYBFSFEECSJHC-LBPRGKRZSA-N	-1	0	281.220	0.393	20	30		CCEDRM
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C[C@@](C#N)(CC(=O)[O-])C(=O)NC[C@H](O)c1ccc(F)cc1	ZINC000819833999	597632834	/nfs/dbraw/zinc/63/28/34/597632834.db2.gz	LJRZJTMDLXLACC-FZMZJTMJSA-N	-1	0	294.282	0.980	20	30		CCEDRM
C[C@@](C#N)(CC(=O)[O-])C(=O)NCCn1cccn1	ZINC000819842377	597636202	/nfs/dbraw/zinc/63/62/02/597636202.db2.gz	OJFORELCKVKUHI-NSHDSACASA-N	-1	0	250.258	0.004	20	30		CCEDRM
C[C@](C#N)(CC(=O)[O-])C(=O)NCCn1cccn1	ZINC000819842376	597636216	/nfs/dbraw/zinc/63/62/16/597636216.db2.gz	OJFORELCKVKUHI-LLVKDONJSA-N	-1	0	250.258	0.004	20	30		CCEDRM
C[C@@](C#N)(CC(=O)[O-])C(=O)N1CCN(CC2CC2)CC1	ZINC000819822036	597636268	/nfs/dbraw/zinc/63/62/68/597636268.db2.gz	LPPGVLANRQIOMA-AWEZNQCLSA-N	-1	0	279.340	0.545	20	30		CCEDRM
C[C@@](C#N)(CC(=O)[O-])C(=O)N1CCC[C@@H](C2OCCO2)C1	ZINC000819811644	597642629	/nfs/dbraw/zinc/64/26/29/597642629.db2.gz	SSFHYOSGZWIZNM-YGRLFVJLSA-N	-1	0	296.323	0.602	20	30		CCEDRM
C[C@@H]1CN(C(=O)[C@@](C)(C#N)CC(=O)[O-])CCS1	ZINC000820246311	597644542	/nfs/dbraw/zinc/64/45/42/597644542.db2.gz	UWMJOCPNTMVJEJ-LDYMZIIASA-N	-1	0	256.327	0.955	20	30		CCEDRM
C[C@](C#N)(CC(=O)[O-])C(=O)NCCOCC1CC1	ZINC000819843224	597645702	/nfs/dbraw/zinc/64/57/02/597645702.db2.gz	ZLAWEQSTKVPWKS-GFCCVEGCSA-N	-1	0	254.286	0.534	20	30		CCEDRM
C[C@@H](CNC(=O)[C@@](C)(C#N)CC(=O)[O-])CC1(C)OCCO1	ZINC000820095627	597650315	/nfs/dbraw/zinc/65/03/15/597650315.db2.gz	KFDFGKMQIJKCPU-ZWNOBZJWSA-N	-1	0	298.339	0.896	20	30		CCEDRM
C[C@@](C#N)(CC(=O)[O-])C(=O)NC[C@@H](CO)c1ccccc1	ZINC000819835500	597653806	/nfs/dbraw/zinc/65/38/06/597653806.db2.gz	VTYWYSSIITWERT-WFASDCNBSA-N	-1	0	290.319	0.883	20	30		CCEDRM
Cc1nnc([C@H](C)NC(=O)[C@@](C)(C#N)CC(=O)[O-])o1	ZINC000821216640	597656543	/nfs/dbraw/zinc/65/65/43/597656543.db2.gz	JVUDFPUYUMOFOF-UPONEAKYSA-N	-1	0	266.257	0.560	20	30		CCEDRM
C[C@H](O)[C@@H]1CCN(C(=O)[C@@](C)(C#N)CC(=O)[O-])C1	ZINC000820154105	597664407	/nfs/dbraw/zinc/66/44/07/597664407.db2.gz	GCEGAZDQMHNIBB-YGOYTEALSA-N	-1	0	254.286	0.220	20	30		CCEDRM
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Cn1cc(NC(=O)[C@](C)(C#N)CC(=O)[O-])ccc1=O	ZINC000821298404	598224903	/nfs/dbraw/zinc/22/49/03/598224903.db2.gz	SSUBBPXHEPDMOL-LBPRGKRZSA-N	-1	0	263.253	0.328	20	30		CCEDRM
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COc1ccc(NC(=O)CCN(CC#N)CC(=O)[O-])cc1	ZINC000832394201	601227537	/nfs/dbraw/zinc/22/75/37/601227537.db2.gz	NRXIKNHRPQTZRD-UHFFFAOYSA-N	-1	0	291.307	0.934	20	30		CCEDRM
Cc1nnc(N2CCO[C@@H](CC(=O)[O-])C2)c(C#N)c1C	ZINC000124854560	601382506	/nfs/dbraw/zinc/38/25/06/601382506.db2.gz	MEFIBHVFXYJJMP-JTQLQIEISA-N	-1	0	276.296	0.645	20	30		CCEDRM
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C[C@H](CC(=O)NC1(C#N)CCOCC1)NC(=O)[O-]	ZINC000824616527	602944647	/nfs/dbraw/zinc/94/46/47/602944647.db2.gz	ZNPKKZAOKKOQPX-MRVPVSSYSA-N	-1	0	255.274	0.222	20	30		CCEDRM
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C[C@H](CC#N)N(C)CN1CC2(CN(C(=O)[O-])C2)CC1=O	ZINC000824544219	603588787	/nfs/dbraw/zinc/58/87/87/603588787.db2.gz	PGMHWYJIQPQRIP-SNVBAGLBSA-N	-1	0	280.328	0.390	20	30		CCEDRM
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C[C@H](C(=O)N1CCN(C(=O)[O-])C[C@@H]1C#N)c1cnn(C)c1	ZINC000823668983	604079057	/nfs/dbraw/zinc/07/90/57/604079057.db2.gz	JZGLBIRRKVMSKZ-ONGXEEELSA-N	-1	0	291.311	0.238	20	30		CCEDRM
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Cc1ncoc1C(=O)N1CCN(C(=O)[O-])C[C@@H]1C#N	ZINC000830829497	604087243	/nfs/dbraw/zinc/08/72/43/604087243.db2.gz	LIRYOTSHNOYRQM-QMMMGPOBSA-N	-1	0	264.241	0.311	20	30		CCEDRM
N#C[C@H](C(=O)N1CCCC1)C(=O)[C@@]1(F)CCN(C(=O)[O-])C1	ZINC000831064280	604152849	/nfs/dbraw/zinc/15/28/49/604152849.db2.gz	DZDZPXYZFQKOHL-TVQRCGJNSA-N	-1	0	297.286	0.410	20	30		CCEDRM
N#C[C@H]1CN(C(=O)CC2(NC(=O)[O-])CCC2)CCO1	ZINC000831077022	604156933	/nfs/dbraw/zinc/15/69/33/604156933.db2.gz	VLJOYHYJQVNDIZ-VIFPVBQESA-N	-1	0	267.285	0.318	20	30		CCEDRM
C[C@@H](CN(C)C(=O)[O-])C(=O)[C@@H](C#N)C(=O)N1CCCC1	ZINC000824825095	604251435	/nfs/dbraw/zinc/25/14/35/604251435.db2.gz	QHCSTSCXTFXQLH-VHSXEESVSA-N	-1	0	281.312	0.564	20	30		CCEDRM
C[C@H](CN(C)C(=O)[O-])C(=O)OCCn1ncc(C#N)c1N	ZINC000824896656	604256899	/nfs/dbraw/zinc/25/68/99/604256899.db2.gz	YILJQOWXPZOMQY-MRVPVSSYSA-N	-1	0	295.299	0.126	20	30		CCEDRM
N#Cc1ncn(CC(=O)NCCCCCCC(=O)[O-])n1	ZINC000833079386	604276455	/nfs/dbraw/zinc/27/64/55/604276455.db2.gz	UNKNWIHYBDLFAQ-UHFFFAOYSA-N	-1	0	279.300	0.301	20	30		CCEDRM
Cc1cc(=O)[nH]cc1C(=O)N1CCN(C(=O)[O-])C[C@@H]1C#N	ZINC000829893972	604308245	/nfs/dbraw/zinc/30/82/45/604308245.db2.gz	LPMQXTFADYUPMB-VIFPVBQESA-N	-1	0	290.279	0.424	20	30		CCEDRM
N#Cc1ccc(N2CCN(CCNC(=O)[O-])CC2)nc1	ZINC000831131978	604359526	/nfs/dbraw/zinc/35/95/26/604359526.db2.gz	INOOOAMYVDIEOD-UHFFFAOYSA-N	-1	0	275.312	0.343	20	30		CCEDRM
N#Cc1ncn(CC(=O)Nc2ccc(C(=O)[O-])s2)n1	ZINC000833078336	604377386	/nfs/dbraw/zinc/37/73/86/604377386.db2.gz	HIWKHCIWGMNSMR-UHFFFAOYSA-N	-1	0	277.265	0.548	20	30		CCEDRM
Cn1cc(C#N)c(NC(=O)NC(C)(C)CNC(=O)[O-])n1	ZINC000830985797	604396201	/nfs/dbraw/zinc/39/62/01/604396201.db2.gz	XMCFWNRZROTAKI-UHFFFAOYSA-N	-1	0	280.288	0.459	20	30		CCEDRM
C#CC[C@@H](NC(=O)Cc1ccc([S@](C)=O)cc1)C(=O)[O-]	ZINC000910050008	613040205	/nfs/dbraw/zinc/04/02/05/613040205.db2.gz	BVUOHPYODXVAFB-ODXCJYRJSA-N	-1	0	293.344	0.559	20	30		CCEDRM
N#Cc1ccc(CNC(=O)[C@@H]2CN(C(=O)[O-])CCO2)cc1	ZINC000831126694	604694129	/nfs/dbraw/zinc/69/41/29/604694129.db2.gz	PCDHHYMPPGGQSD-LBPRGKRZSA-N	-1	0	289.291	0.553	20	30		CCEDRM
C#CC[C@@H](NC(=O)Nc1cc(CCC)nn1C)C(=O)[O-]	ZINC000900346070	613040555	/nfs/dbraw/zinc/04/05/55/613040555.db2.gz	BIMBOEFCDCWEPO-SNVBAGLBSA-N	-1	0	278.312	0.971	20	30		CCEDRM
C[C@@](C#N)(NC(=O)COC(=O)C1(NC(=O)[O-])CC1)C1CC1	ZINC000823648822	604754522	/nfs/dbraw/zinc/75/45/22/604754522.db2.gz	XRZMGVRVSYZYTF-LBPRGKRZSA-N	-1	0	295.295	0.138	20	30		CCEDRM
N#C[C@H]1CN(CC(=O)NC2(C(=O)[O-])CCCCC2)CCO1	ZINC000833063424	604762941	/nfs/dbraw/zinc/76/29/41/604762941.db2.gz	WERFBPJSAJGGBG-NSHDSACASA-N	-1	0	295.339	0.114	20	30		CCEDRM
O=C([O-])NCCNC(=O)C#Cc1ccc2c(c1)OCO2	ZINC000832641802	604814297	/nfs/dbraw/zinc/81/42/97/604814297.db2.gz	KCKXZHYSBJKYLV-UHFFFAOYSA-N	-1	0	276.248	0.151	20	30		CCEDRM
C#CC[C@@H](NC(=O)[C@@H]1OC[C@@H]2CCC[C@@H]21)C(=O)[O-]	ZINC000910048767	613040964	/nfs/dbraw/zinc/04/09/64/613040964.db2.gz	OIRKPVATFJIVBC-UKKRHICBSA-N	-1	0	251.282	0.394	20	30		CCEDRM
C#CC[C@@H](NC(=O)c1cc(N(C)C)ccn1)C(=O)[O-]	ZINC000910052044	613041861	/nfs/dbraw/zinc/04/18/61/613041861.db2.gz	LXEZDPRCNGCTBE-SNVBAGLBSA-N	-1	0	261.281	0.354	20	30		CCEDRM
C#CC[C@@H](NC(=O)c1cc2n(n1)CCCC2)C(=O)[O-]	ZINC000910050039	613041863	/nfs/dbraw/zinc/04/18/63/613041863.db2.gz	CLHLZNUMRYMELK-SNVBAGLBSA-N	-1	0	261.281	0.426	20	30		CCEDRM
C=C(Br)CN1CCOC[C@H]1C(=O)[O-]	ZINC000083876191	604952720	/nfs/dbraw/zinc/95/27/20/604952720.db2.gz	OZRHCOLYAGZZRZ-ZETCQYMHSA-N	-1	0	250.092	0.680	20	30		CCEDRM
C[C@H](NC(=O)[O-])C(=O)OCC(=O)c1ccc(C#N)cc1	ZINC000833740151	604962541	/nfs/dbraw/zinc/96/25/41/604962541.db2.gz	DREYGWXAMGBXKW-QMMMGPOBSA-N	-1	0	276.248	0.940	20	30		CCEDRM
C[C@H](C(=O)[O-])n1cccc1C=NNCCS(C)(=O)=O	ZINC000833405348	605039786	/nfs/dbraw/zinc/03/97/86/605039786.db2.gz	DRMISYOAQKCPCI-SECBINFHSA-N	-1	0	287.341	0.102	20	30		CCEDRM
C#CCSCCNS(=O)(=O)c1cc(C(=O)[O-])co1	ZINC000710634258	605206208	/nfs/dbraw/zinc/20/62/08/605206208.db2.gz	IGMYSHUCIKMGQJ-UHFFFAOYSA-N	-1	0	289.334	0.623	20	30		CCEDRM
CC(C)(C#N)CS(=O)(=O)N1CCC(C(=O)[O-])CC1	ZINC000833413907	605267868	/nfs/dbraw/zinc/26/78/68/605267868.db2.gz	WKDISPHXOZLUMG-UHFFFAOYSA-N	-1	0	274.342	0.663	20	30		CCEDRM
C=CCNC(=O)CNC(=O)NCC1(C(=O)[O-])CCCCC1	ZINC000393810822	605413141	/nfs/dbraw/zinc/41/31/41/605413141.db2.gz	GDNFJJSXONYKAA-UHFFFAOYSA-N	-1	0	297.355	0.623	20	30		CCEDRM
C#CCOCCNS(=O)(=O)c1ccc(C(=O)[O-])c(C)c1	ZINC000833366019	605418327	/nfs/dbraw/zinc/41/83/27/605418327.db2.gz	BPIIVJOXHTWBOG-UHFFFAOYSA-N	-1	0	297.332	0.621	20	30		CCEDRM
N#CCCCCS(=O)(=O)NC[C@H]1CCN(C(=O)[O-])C1	ZINC000833969797	605424816	/nfs/dbraw/zinc/42/48/16/605424816.db2.gz	XJKMFYSYBBMRIS-SNVBAGLBSA-N	-1	0	289.357	0.600	20	30		CCEDRM
N#CC1(NC(=O)CC[C@H]2CCN(C(=O)[O-])C2)CCOCC1	ZINC000833962984	605472740	/nfs/dbraw/zinc/47/27/40/605472740.db2.gz	DCXWLYKLFGLKQS-NSHDSACASA-N	-1	0	295.339	0.955	20	30		CCEDRM
N#Cc1cc(C(=O)N2CCN(C(=O)[O-])C[C@@H]2C#N)c[nH]1	ZINC000833970926	605545957	/nfs/dbraw/zinc/54/59/57/605545957.db2.gz	YBSFZEFFJRPDRM-JTQLQIEISA-N	-1	0	273.252	0.214	20	30		CCEDRM
C[C@@H](C#N)NC(=O)C[C@H]1CSCCN1C(=O)[O-]	ZINC000823647418	605636585	/nfs/dbraw/zinc/63/65/85/605636585.db2.gz	KZMSNSNYFQPYRQ-YUMQZZPRSA-N	-1	0	257.315	0.500	20	30		CCEDRM
N#C[C@H]1CN(C(=O)C[C@H]2CSCCN2C(=O)[O-])CCO1	ZINC000831075714	605644891	/nfs/dbraw/zinc/64/48/91/605644891.db2.gz	CGVNUINSTGVPAI-UWVGGRQHSA-N	-1	0	299.352	0.223	20	30		CCEDRM
N#Cc1ncn(CC(=O)Nc2ccc(NC(=O)[O-])cc2)n1	ZINC000831161792	605701249	/nfs/dbraw/zinc/70/12/49/605701249.db2.gz	LUQPUUCEIJZYAQ-UHFFFAOYSA-N	-1	0	286.251	0.878	20	30		CCEDRM
N#Cc1ccc([C@H](O)C(=O)NCC2CN(C(=O)[O-])C2)cc1	ZINC000833972569	605850363	/nfs/dbraw/zinc/85/03/63/605850363.db2.gz	FBUZIBZPGNBWBY-LBPRGKRZSA-N	-1	0	289.291	0.318	20	30		CCEDRM
N#Cc1ccc([C@@H](O)C(=O)NCC2CN(C(=O)[O-])C2)cc1	ZINC000833972566	605850404	/nfs/dbraw/zinc/85/04/04/605850404.db2.gz	FBUZIBZPGNBWBY-GFCCVEGCSA-N	-1	0	289.291	0.318	20	30		CCEDRM
O=C([O-])N1CCCC(=NN[C@@H]2CCS(=O)(=O)C2)CC1	ZINC000834097117	605990977	/nfs/dbraw/zinc/99/09/77/605990977.db2.gz	QLIYINOQQPCWOM-SNVBAGLBSA-N	-1	0	289.357	0.283	20	30		CCEDRM
CCN(CCC#N)CN1C[C@H](NC(=O)[O-])CC1=O	ZINC000833857355	605992980	/nfs/dbraw/zinc/99/29/80/605992980.db2.gz	IQWDCABFFUILJC-SECBINFHSA-N	-1	0	254.290	0.048	20	30		CCEDRM
N#Cc1cc(C(=O)N2CC[C@@H](CNC(=O)[O-])C2)c[nH]1	ZINC000833970008	606089402	/nfs/dbraw/zinc/08/94/02/606089402.db2.gz	HUELPXYPRKBNLE-QMMMGPOBSA-N	-1	0	262.269	0.616	20	30		CCEDRM
C#CCCS(=O)(=O)[N-]C(=O)Cc1c(C)nn(C)c1C	ZINC000791111749	613052900	/nfs/dbraw/zinc/05/29/00/613052900.db2.gz	XRWREMOQFDCMQQ-UHFFFAOYSA-N	-1	0	283.353	0.049	20	30		CCEDRM
C#CCCS(=O)(=O)[N-]C(=O)Cc1cn(C)nc1Cl	ZINC000816056520	613052906	/nfs/dbraw/zinc/05/29/06/613052906.db2.gz	VZGUZORKSZFPOX-UHFFFAOYSA-N	-1	0	289.744	0.085	20	30		CCEDRM
C#CCCS(=O)(=O)[N-]C(=O)C=C1CCSCC1	ZINC000810784366	613052692	/nfs/dbraw/zinc/05/26/92/613052692.db2.gz	BWFDAZXZJPYSHE-UHFFFAOYSA-N	-1	0	273.379	0.909	20	30		CCEDRM
C#CCCS(=O)(=O)[N-]C(=O)[C@@H]1CCCSC1	ZINC000810783391	613053248	/nfs/dbraw/zinc/05/32/48/613053248.db2.gz	NJLACWHJEBNWBL-SECBINFHSA-N	-1	0	261.368	0.599	20	30		CCEDRM
C#CC[C@H](NC(=O)[C@H](C)OC[C@@H]1CCCO1)C(=O)[O-]	ZINC000910052627	613069195	/nfs/dbraw/zinc/06/91/95/613069195.db2.gz	DBGLONKCHPJCPP-DCAQKATOSA-N	-1	0	269.297	0.163	20	30		CCEDRM
C#CC[C@H](NC(=O)[C@H]1CCO[C@H]1C(=C)C)C(=O)[O-]	ZINC000910049309	613069553	/nfs/dbraw/zinc/06/95/53/613069553.db2.gz	VLGNASSVSFEVFY-DCAQKATOSA-N	-1	0	251.282	0.560	20	30		CCEDRM
C#CC[C@H](NS(=O)(=O)c1ccccc1[O-])C(=O)OC	ZINC000849398604	613071210	/nfs/dbraw/zinc/07/12/10/613071210.db2.gz	YYGJEVPHNYSMTK-VIFPVBQESA-N	-1	0	283.305	0.235	20	30		CCEDRM
C=CCCCN(C)C(=O)[C@H]1C[C@@H](O)CN1C(=O)[O-]	ZINC000823496164	613466470	/nfs/dbraw/zinc/46/64/70/613466470.db2.gz	DSMXRQJRTSZOCO-NXEZZACHSA-N	-1	0	256.302	0.524	20	30		CCEDRM
CC#CCS(=O)(=O)[N-]C(=O)C[C@H]1CCCCO1	ZINC000810773724	613646108	/nfs/dbraw/zinc/64/61/08/613646108.db2.gz	MNLMDSKSTZOPEZ-SNVBAGLBSA-N	-1	0	259.327	0.415	20	30		CCEDRM
C=CCCO[C@@H](C)C(=O)[N-]S(=O)(=O)CC#CC	ZINC000810777510	613577947	/nfs/dbraw/zinc/57/79/47/613577947.db2.gz	DJYMNRURXNYKMJ-JTQLQIEISA-N	-1	0	259.327	0.437	20	30		CCEDRM
CC(C)OCCO[N-]C(=O)[C@H](C)n1cnc(C#N)n1	ZINC000812807752	614021106	/nfs/dbraw/zinc/02/11/06/614021106.db2.gz	IYMKSLZZHWVBLL-VIFPVBQESA-N	-1	0	267.289	0.184	20	30		CCEDRM
COc1ccc(F)c(C=Nn2c(=O)[n-][nH]c2=O)c1	ZINC000814939845	617264000	/nfs/dbraw/zinc/26/40/00/617264000.db2.gz	GGYLVYBPRICVNB-UHFFFAOYSA-N	-1	0	252.205	0.719	20	30		CCEDRM
COc1ccc(NCC(=O)NCC#N)c(C(=O)[O-])c1	ZINC000832413394	617271832	/nfs/dbraw/zinc/27/18/32/617271832.db2.gz	UOHGBSKBNJLUSE-UHFFFAOYSA-N	-1	0	263.253	0.445	20	30		CCEDRM
C[C@@H](C#N)CN(C)S(=O)(=O)N[C@H]1CC=C(C(=O)[O-])C1	ZINC000853069918	617295713	/nfs/dbraw/zinc/29/57/13/617295713.db2.gz	SUOTYPVGEJQIAT-WPRPVWTQSA-N	-1	0	287.341	0.086	20	30		CCEDRM
C#CCNC(=S)N1CCC2(C[C@H]2C(=O)[O-])CC1	ZINC000833365863	612952932	/nfs/dbraw/zinc/95/29/32/612952932.db2.gz	VDHXESBGVGABOK-VIFPVBQESA-N	-1	0	252.339	0.681	20	30		CCEDRM
C#CCOCCC(=O)N1CCC2(C[C@@H]2C(=O)[O-])CC1	ZINC000833364096	612977554	/nfs/dbraw/zinc/97/75/54/612977554.db2.gz	JKVOAGVEGUTCOO-LLVKDONJSA-N	-1	0	265.309	0.740	20	30		CCEDRM
C#CCCCCNC(=O)N1CCO[C@H]([C@H](C)NC(=O)[O-])C1	ZINC000823440880	612977614	/nfs/dbraw/zinc/97/76/14/612977614.db2.gz	LNULEJRHLVHCIC-RYUDHWBXSA-N	-1	0	297.355	0.856	20	30		CCEDRM
C#CCOCCC(=O)N1CCC[C@H](CC(=O)[O-])C1	ZINC000819706322	612977855	/nfs/dbraw/zinc/97/78/55/612977855.db2.gz	WJASZWAVHUXCML-LLVKDONJSA-N	-1	0	253.298	0.740	20	30		CCEDRM
C#CCOCCC(=O)[N-]S(=O)(=O)c1cn(C(C)C)cn1	ZINC000133622543	612980063	/nfs/dbraw/zinc/98/00/63/612980063.db2.gz	YJXWNPPUASBCRD-UHFFFAOYSA-N	-1	0	299.352	0.309	20	30		CCEDRM
C#CCOCCNC(=O)C1CCC(C(=O)[O-])CC1	ZINC000833366185	612985259	/nfs/dbraw/zinc/98/52/59/612985259.db2.gz	KQCDGYQWERHYBM-UHFFFAOYSA-N	-1	0	253.298	0.643	20	30		CCEDRM
C#CCCCS(=O)(=O)[N-]c1nc(OC)cc(OC)n1	ZINC000820802279	612985489	/nfs/dbraw/zinc/98/54/89/612985489.db2.gz	LMGNPSKQZNHOGQ-UHFFFAOYSA-N	-1	0	285.325	0.649	20	30		CCEDRM
C#CCOCCNC(=O)N1C[C@@H](C)C[C@H](C(=O)[O-])C1	ZINC000817876446	612986611	/nfs/dbraw/zinc/98/66/11/612986611.db2.gz	LDTGFMUHTHPMKX-QWRGUYRKSA-N	-1	0	268.313	0.388	20	30		CCEDRM
C#CCO[N-]C(=O)C1(NC(=O)NCC)CCCC1	ZINC000855603002	612991853	/nfs/dbraw/zinc/99/18/53/612991853.db2.gz	IWIBBRWGLWZOON-UHFFFAOYSA-N	-1	0	253.302	0.299	20	30		CCEDRM
C#CCO[N-]C(=O)C1(S(=O)(=O)c2ccccc2)CC1	ZINC000855602573	612991894	/nfs/dbraw/zinc/99/18/94/612991894.db2.gz	CSMKZHWZLWEYIA-UHFFFAOYSA-N	-1	0	279.317	0.674	20	30		CCEDRM
C#CCOc1ccccc1CNC(=O)NCC(=O)[N-]OC	ZINC000918815741	613007750	/nfs/dbraw/zinc/00/77/50/613007750.db2.gz	NUECSWQCSQJFGH-UHFFFAOYSA-N	-1	0	291.307	0.175	20	30		CCEDRM
C#CCCN1CCN(C(=O)C[C@@H](C)NC(=O)[O-])CC1	ZINC000823444640	613009437	/nfs/dbraw/zinc/00/94/37/613009437.db2.gz	OMUIADLDWDVQBE-LLVKDONJSA-N	-1	0	267.329	0.200	20	30		CCEDRM
C#CCCN1CCN(C(=O)[C@]2(F)CCN(C(=O)[O-])C2)CC1	ZINC000823444590	613010555	/nfs/dbraw/zinc/01/05/55/613010555.db2.gz	NGYKTDLUINUILR-AWEZNQCLSA-N	-1	0	297.330	0.246	20	30		CCEDRM
C#CC[C@@H](COC)NC(=O)Cc1cc(=O)n(CC(C)C)[n-]1	ZINC000827723186	613032617	/nfs/dbraw/zinc/03/26/17/613032617.db2.gz	GZEMPKYDLNZQME-LBPRGKRZSA-N	-1	0	293.367	0.529	20	30		CCEDRM
COc1ccccc1C(=O)[N-]S(=O)(=O)CCC#N	ZINC000821582357	617313409	/nfs/dbraw/zinc/31/34/09/617313409.db2.gz	KTPRGUUWDVHLGF-UHFFFAOYSA-N	-1	0	268.294	0.668	20	30		CCEDRM
C#CC[C@@H](NC(=O)C[C@@H](OCC)C(=C)C)C(=O)[O-]	ZINC000910048821	613040057	/nfs/dbraw/zinc/04/00/57/613040057.db2.gz	PGQYYKUTKLEEEY-GHMZBOCLSA-N	-1	0	253.298	0.950	20	30		CCEDRM
C#CC[C@@H](NC(=O)C[C@H]1CCCC[C@@H]1O)C(=O)[O-]	ZINC000910050874	613040082	/nfs/dbraw/zinc/04/00/82/613040082.db2.gz	PEDCQFKXIJGNFP-MXWKQRLJSA-N	-1	0	253.298	0.520	20	30		CCEDRM
C#CC[C@@H](NC(=O)Cc1cc(F)ccc1OC)C(=O)[O-]	ZINC000910046043	613040233	/nfs/dbraw/zinc/04/02/33/613040233.db2.gz	KJDVDLLGQBXICM-LLVKDONJSA-N	-1	0	279.267	0.970	20	30		CCEDRM
C#CC[C@@H](NC(=O)[C@@H](C)NC(=O)C1CCCC1)C(=O)[O-]	ZINC000910053020	613040514	/nfs/dbraw/zinc/04/05/14/613040514.db2.gz	MQIWFXRPWRZDSD-MWLCHTKSSA-N	-1	0	280.324	0.274	20	30		CCEDRM
C#CC[C@@H](NC(=O)[C@H](O)c1cccc(OC)c1)C(=O)[O-]	ZINC000910052448	613041266	/nfs/dbraw/zinc/04/12/66/613041266.db2.gz	YAIYXZZDPYCHKN-VXGBXAGGSA-N	-1	0	277.276	0.321	20	30		CCEDRM
C#CC[C@@H](NC(=O)[C@H]1CCn2cncc2C1)C(=O)[O-]	ZINC000910048185	613041354	/nfs/dbraw/zinc/04/13/54/613041354.db2.gz	GLYJFSLHJLYTAO-GXSJLCMTSA-N	-1	0	261.281	0.038	20	30		CCEDRM
C#CC[C@@H](NC(=O)[C@](C)(O)Cc1ccccc1)C(=O)[O-]	ZINC000910051539	613041610	/nfs/dbraw/zinc/04/16/10/613041610.db2.gz	XRYRLZCKZMNCLW-IUODEOHRSA-N	-1	0	275.304	0.573	20	30		CCEDRM
C#CC[C@@H](NC(=O)c1cccc(OCCOC)c1)C(=O)[O-]	ZINC000910053885	613042025	/nfs/dbraw/zinc/04/20/25/613042025.db2.gz	ZJCNKEONPJZZHV-CYBMUJFWSA-N	-1	0	291.303	0.918	20	30		CCEDRM
C#CC[C@@H](NC(=O)c1cnc(C(C)(C)C)nc1)C(=O)[O-]	ZINC000910050351	613042313	/nfs/dbraw/zinc/04/23/13/613042313.db2.gz	ILRGUHMTCGFKPQ-SNVBAGLBSA-N	-1	0	275.308	0.980	20	30		CCEDRM
C#CCCNC(=O)[C@@H]1[C@H](C)OC(C)(C)N1C(=O)[O-]	ZINC000823445039	613047887	/nfs/dbraw/zinc/04/78/87/613047887.db2.gz	VDERCXWSXREUDK-IUCAKERBSA-N	-1	0	254.286	0.629	20	30		CCEDRM
C#CCCS(=O)(=O)[N-]C(=O)C1(OC)CCCCC1	ZINC000810780443	613052722	/nfs/dbraw/zinc/05/27/22/613052722.db2.gz	COVFCLLYTBKPGH-UHFFFAOYSA-N	-1	0	273.354	0.805	20	30		CCEDRM
C#CCCS(=O)(=O)[N-]C(=O)[C@H]1CCC(=O)c2cccn21	ZINC000810784420	613053308	/nfs/dbraw/zinc/05/33/08/613053308.db2.gz	DYDQTXVMJPNHDQ-LLVKDONJSA-N	-1	0	294.332	0.475	20	30		CCEDRM
C#CCCS(=O)(=O)[N-]C(=O)c1cc(COC)cs1	ZINC000850999234	613053609	/nfs/dbraw/zinc/05/36/09/613053609.db2.gz	AZIADVHWWYZJBK-UHFFFAOYSA-N	-1	0	287.362	0.977	20	30		CCEDRM
C#CCCS(=O)(=O)[N-]C(=O)c1cnn(C2CC2)c1	ZINC000860721641	613053836	/nfs/dbraw/zinc/05/38/36/613053836.db2.gz	HWXPFXHQBZPOQQ-UHFFFAOYSA-N	-1	0	267.310	0.301	20	30		CCEDRM
C#CC[C@H](CO)NC(=O)[C@@H]([N-]C(=O)C(F)(F)F)C(C)C	ZINC000816670145	613056515	/nfs/dbraw/zinc/05/65/15/613056515.db2.gz	MYGSCTFSUJFTNQ-BDAKNGLRSA-N	-1	0	294.273	0.190	20	30		CCEDRM
C#CC[C@H](CO)[N-]S(=O)(=O)N=[S@](C)(=O)C(C)(C)C	ZINC000882340734	613059043	/nfs/dbraw/zinc/05/90/43/613059043.db2.gz	PTYVLVGDOVYYQD-VVVCHXIZSA-N	-1	0	296.414	0.101	20	30		CCEDRM
C#CC[C@H](Cc1ccccc1)NC(=O)c1n[nH]c(=O)[n-]1	ZINC000807689806	613067410	/nfs/dbraw/zinc/06/74/10/613067410.db2.gz	KWVQPTNUHBJIBN-LLVKDONJSA-N	-1	0	270.292	0.875	20	30		CCEDRM
C#CC[C@H](NC(=O)COCCc1ccccc1)C(=O)[O-]	ZINC000910054058	613067739	/nfs/dbraw/zinc/06/77/39/613067739.db2.gz	ILXNHZSTXAEFQP-ZDUSSCGKSA-N	-1	0	275.304	0.838	20	30		CCEDRM
C#CC[C@H](NC(=O)Cc1ncccc1OC)C(=O)[O-]	ZINC000910050713	613068297	/nfs/dbraw/zinc/06/82/97/613068297.db2.gz	NZVAMTSUMTUEDF-VIFPVBQESA-N	-1	0	262.265	0.225	20	30		CCEDRM
C#CC[C@H](NC(=O)c1cnc2n1[C@H](C)CCC2)C(=O)[O-]	ZINC000910045404	613070654	/nfs/dbraw/zinc/07/06/54/613070654.db2.gz	CMKAGHHZJOPQGX-ZJUUUORDSA-N	-1	0	275.308	0.987	20	30		CCEDRM
C#CCN(C)S(=O)(=O)c1cccc(CC(=O)[O-])c1	ZINC000871949279	613079556	/nfs/dbraw/zinc/07/95/56/613079556.db2.gz	VLGGGXLLLFTILN-UHFFFAOYSA-N	-1	0	267.306	0.567	20	30		CCEDRM
COc1ccccc1CON=Cc1cn(CC(=O)[O-])nn1	ZINC000799116971	617315236	/nfs/dbraw/zinc/31/52/36/617315236.db2.gz	FWXKHFRYGCJRLV-UHFFFAOYSA-N	-1	0	290.279	0.922	20	30		CCEDRM
C#C[C@@H](NC(=O)C1(C(=O)[O-])CCC1)[C@H]1CCCO1	ZINC000911581560	613091729	/nfs/dbraw/zinc/09/17/29/613091729.db2.gz	ZAESZLACZSZZEX-NXEZZACHSA-N	-1	0	251.282	0.538	20	30		CCEDRM
C#CCN(CC#C)C(=O)Cc1cc(=O)n(CC(C)C)[n-]1	ZINC000933879547	613098646	/nfs/dbraw/zinc/09/86/46/613098646.db2.gz	RJEHXQWEZVNKLO-UHFFFAOYSA-N	-1	0	273.336	0.470	20	30		CCEDRM
C#C[C@@H](NC(=O)c1cc(C(=O)[O-])co1)[C@@H]1CCCO1	ZINC000911577941	613098700	/nfs/dbraw/zinc/09/87/00/613098700.db2.gz	GDBXITAZIDDDKX-ZJUUUORDSA-N	-1	0	263.249	0.888	20	30		CCEDRM
C#CCN(CC#CC)C(=O)CO[C@H]1CCCN(C(=O)[O-])C1	ZINC000823450803	613099566	/nfs/dbraw/zinc/09/95/66/613099566.db2.gz	JIYNXDTZCRJBEP-ZDUSSCGKSA-N	-1	0	292.335	0.631	20	30		CCEDRM
C#C[C@@H]1COCCN1C(=O)Cc1cc(=O)n(CC(C)C)[n-]1	ZINC000822484554	613109694	/nfs/dbraw/zinc/10/96/94/613109694.db2.gz	UJRAZDAFUBNXRG-CYBMUJFWSA-N	-1	0	291.351	0.236	20	30		CCEDRM
C#C[C@H](CC)NC(=O)N1CCC[C@H](c2n[nH]c(=O)[n-]2)C1	ZINC000922525106	613120069	/nfs/dbraw/zinc/12/00/69/613120069.db2.gz	JIVOHHHOIAQHLJ-VHSXEESVSA-N	-1	0	277.328	0.811	20	30		CCEDRM
C#C[C@H](NC(=O)C1(C(=O)[O-])CCOCC1)C1CCOCC1	ZINC000911789069	613132346	/nfs/dbraw/zinc/13/23/46/613132346.db2.gz	FRRJOUUPFGHPMG-LBPRGKRZSA-N	-1	0	295.335	0.412	20	30		CCEDRM
C#C[C@H](NC(=O)C12CC(C(=O)[O-])(C1)C2)[C@H]1CCCO1	ZINC000911580933	613132623	/nfs/dbraw/zinc/13/26/23/613132623.db2.gz	VFBBMMLQIFQWKA-ZQWUNSGPSA-N	-1	0	263.293	0.538	20	30		CCEDRM
C#C[C@H](NC(=O)NCCCCC(=O)[O-])[C@H]1CCCO1	ZINC000840988735	613139366	/nfs/dbraw/zinc/13/93/66/613139366.db2.gz	LSCLRXJSKKNUDY-WDEREUQCSA-N	-1	0	268.313	0.721	20	30		CCEDRM
C#C[C@H](NC(=O)[C@@H](C)CC(=O)[O-])C1CCOCC1	ZINC000911793426	613145268	/nfs/dbraw/zinc/14/52/68/613145268.db2.gz	VOYZLNXLVBGGAD-ONGXEEELSA-N	-1	0	253.298	0.642	20	30		CCEDRM
C#Cc1ccc(C(=O)N2CC[C@@H](N(C)C(=O)[O-])C2)cn1	ZINC000823466622	613171610	/nfs/dbraw/zinc/17/16/10/613171610.db2.gz	GOPSOFFIQKTMTH-GFCCVEGCSA-N	-1	0	273.292	0.887	20	30		CCEDRM
C#Cc1ccc(C(=O)N2CC[C@@](C)(C(=O)[O-])C2)cn1	ZINC000825636065	613173499	/nfs/dbraw/zinc/17/34/99/613173499.db2.gz	AYJXXOYLPRIVLD-CQSZACIVSA-N	-1	0	258.277	1.000	20	30		CCEDRM
C#Cc1ccc(C(=O)N[C@@]2(C(=O)[O-])CCOC2)cc1	ZINC000909378890	613187953	/nfs/dbraw/zinc/18/79/53/613187953.db2.gz	QFXAGRCUFBPAQO-AWEZNQCLSA-N	-1	0	259.261	0.641	20	30		CCEDRM
C#CCN1CCC[C@H]1C(=O)N[C@@H](CCC=C)C(=O)[O-]	ZINC000909716245	613200555	/nfs/dbraw/zinc/20/05/55/613200555.db2.gz	QBBRIWRSDTURBW-RYUDHWBXSA-N	-1	0	264.325	0.620	20	30		CCEDRM
C#Cc1cncc(C(=O)N[C@@H](CCOC)C(=O)[O-])c1	ZINC000909628034	613219251	/nfs/dbraw/zinc/21/92/51/613219251.db2.gz	YDQGCBVZRQJOPV-NSHDSACASA-N	-1	0	262.265	0.282	20	30		CCEDRM
C=C(C)COCCNC(=O)N[C@H]1CCN(C(=O)[O-])C1	ZINC000823480419	613352210	/nfs/dbraw/zinc/35/22/10/613352210.db2.gz	BMRYWEKBPFSSEQ-JTQLQIEISA-N	-1	0	271.317	0.631	20	30		CCEDRM
C=C(C)CO[N-]C(=O)C(=O)Nc1ccnn1CC	ZINC000846147547	613352364	/nfs/dbraw/zinc/35/23/64/613352364.db2.gz	XZWZLSNMCIHZSJ-UHFFFAOYSA-N	-1	0	252.274	0.465	20	30		CCEDRM
C=C(C)CO[N-]C(=O)[C@@H]1Nc2ccccc2S(=O)(=O)N1	ZINC000846538990	613353758	/nfs/dbraw/zinc/35/37/58/613353758.db2.gz	NVFUILBBPKPMJN-LLVKDONJSA-N	-1	0	297.336	0.340	20	30		CCEDRM
C=C(C)C[C@@H](NC(=O)Cn1ccc(C)n1)C(=O)[O-]	ZINC000910291155	613355814	/nfs/dbraw/zinc/35/58/14/613355814.db2.gz	FHLOTENIKJLIDB-SNVBAGLBSA-N	-1	0	251.286	0.727	20	30		CCEDRM
C=C(C)C[C@@H](NC(=O)[C@H](O)CCSC)C(=O)[O-]	ZINC000910288572	613356162	/nfs/dbraw/zinc/35/61/62/613356162.db2.gz	XLEGMWKDXCGFMP-RKDXNWHRSA-N	-1	0	261.343	0.636	20	30		CCEDRM
C=C(C)C[C@H](NC(=O)NCCOCCOC)C(=O)[O-]	ZINC000908888444	613358761	/nfs/dbraw/zinc/35/87/61/613358761.db2.gz	CLOKXACUTOKODT-JTQLQIEISA-N	-1	0	274.317	0.368	20	30		CCEDRM
C=C(C)C[C@H](NC(=O)N[C@H]1CO[C@@H](C)C1)C(=O)[O-]	ZINC000909037210	613358769	/nfs/dbraw/zinc/35/87/69/613358769.db2.gz	DIMZABJKMSRGFL-AEJSXWLSSA-N	-1	0	256.302	0.882	20	30		CCEDRM
C=C(C)C[C@H](NC(=O)Cn1ccc(C)n1)C(=O)[O-]	ZINC000910291154	613358857	/nfs/dbraw/zinc/35/88/57/613358857.db2.gz	FHLOTENIKJLIDB-JTQLQIEISA-N	-1	0	251.286	0.727	20	30		CCEDRM
C=C(C)C[C@H](NC(=O)[C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@H]12)C(=O)[O-]	ZINC000907744364	613358954	/nfs/dbraw/zinc/35/89/54/613358954.db2.gz	RWXGKNQDPJGMCX-NAFSEIKSSA-N	-1	0	265.309	0.945	20	30		CCEDRM
C=C(C)C[C@H](NC(=O)c1cc(=O)n(C)[n-]1)C(=O)OCC	ZINC000881755913	613359022	/nfs/dbraw/zinc/35/90/22/613359022.db2.gz	RJYBRTRNXXNONX-JTQLQIEISA-N	-1	0	281.312	0.753	20	30		CCEDRM
C=C(Cl)C[C@@H](NC(=O)Cc1ccon1)C(=O)[O-]	ZINC000864183574	613388547	/nfs/dbraw/zinc/38/85/47/613388547.db2.gz	LBDNKNHAHNQZAL-MRVPVSSYSA-N	-1	0	258.661	0.929	20	30		CCEDRM
C=C(Cl)C[C@@H](NC(=O)NCCOCCF)C(=O)[O-]	ZINC000864530879	613388628	/nfs/dbraw/zinc/38/86/28/613388628.db2.gz	ORLFJJBSSBWWLR-MRVPVSSYSA-N	-1	0	282.699	0.868	20	30		CCEDRM
C=C(Cl)C[C@@H](NC(=O)[C@H]1[C@@H]2COC[C@@H]21)C(=O)[O-]	ZINC000864186282	613388632	/nfs/dbraw/zinc/38/86/32/613388632.db2.gz	LYVFMVXBBSLTKJ-XAVMHZPKSA-N	-1	0	259.689	0.591	20	30		CCEDRM
C=C(Cl)C[C@@H](NC(=O)Cc1cn(C)nc1C)C(=O)[O-]	ZINC000910268166	613388638	/nfs/dbraw/zinc/38/86/38/613388638.db2.gz	WQVOLJOQRGSIPX-SNVBAGLBSA-N	-1	0	285.731	0.983	20	30		CCEDRM
C=C(Cl)C[C@@H](NS(=O)(=O)N(C)CC1CC1)C(=O)[O-]	ZINC000863422000	613388697	/nfs/dbraw/zinc/38/86/97/613388697.db2.gz	YGPVGXYOAXMTJC-SECBINFHSA-N	-1	0	296.776	0.758	20	30		CCEDRM
C=C(Cl)C[C@@H]1NC(=O)N(CC(=O)[N-]OCC)C1=O	ZINC000865311540	613388877	/nfs/dbraw/zinc/38/88/77/613388877.db2.gz	HJVVSANGXNSAPF-ZETCQYMHSA-N	-1	0	275.692	0.117	20	30		CCEDRM
C=C(Cl)C[C@H](NC(=O)c1cccc(=O)n1C)C(=O)[O-]	ZINC000864186208	613390783	/nfs/dbraw/zinc/39/07/83/613390783.db2.gz	KRQPZKJQWNDJKN-QMMMGPOBSA-N	-1	0	284.699	0.711	20	30		CCEDRM
C=C(Cl)C[C@H](NC(=O)[C@H](O)c1cccnc1)C(=O)[O-]	ZINC000910264804	613390822	/nfs/dbraw/zinc/39/08/22/613390822.db2.gz	DQQKVCZTYSERLX-VHSXEESVSA-N	-1	0	284.699	0.827	20	30		CCEDRM
C=C(Cl)C[C@H](NC(=O)[C@H](O)CCSC)C(=O)[O-]	ZINC000910265346	613390834	/nfs/dbraw/zinc/39/08/34/613390834.db2.gz	DEUKEZCOJCDEJC-JGVFFNPUSA-N	-1	0	281.761	0.812	20	30		CCEDRM
C=C(Cl)C[C@H](NC(=O)c1cnnn1C)C(=O)[O-]	ZINC000910266521	613390841	/nfs/dbraw/zinc/39/08/41/613390841.db2.gz	MKCTYIUZWVEQIS-LURJTMIESA-N	-1	0	258.665	0.141	20	30		CCEDRM
C=C(Cl)C[C@H](NS(=O)(=O)N1CCCC1)C(=O)[O-]	ZINC000863420911	613390941	/nfs/dbraw/zinc/39/09/41/613390941.db2.gz	NWHNOCKRGLHZHA-QMMMGPOBSA-N	-1	0	282.749	0.512	20	30		CCEDRM
C=C1CCC(C(=O)[N-]S(=O)(=O)CCC(=O)OC)CC1	ZINC000893003351	613409530	/nfs/dbraw/zinc/40/95/30/613409530.db2.gz	QIHBPKLYRKSPFE-UHFFFAOYSA-N	-1	0	289.353	0.742	20	30		CCEDRM
C=C1CCC(CNC(=O)C(=O)NCCC(=O)[O-])CC1	ZINC000927945388	613413549	/nfs/dbraw/zinc/41/35/49/613413549.db2.gz	VISKACCQZPTVAR-UHFFFAOYSA-N	-1	0	268.313	0.440	20	30		CCEDRM
C=CC[C@H](N[C@@H]1CCN(c2cc(=O)[nH]cn2)C1)C(=O)OC	ZINC000901689280	613419712	/nfs/dbraw/zinc/41/97/12/613419712.db2.gz	ZSOKFSLJXSHRDI-MNOVXSKESA-N	-1	0	292.339	0.468	20	30		CCEDRM
C=CCn1cc(C(=O)[N-]S(=O)(=O)[C@@H](C)CC)nn1	ZINC000842756566	613429298	/nfs/dbraw/zinc/42/92/98/613429298.db2.gz	NVNDCPWSBVGZFV-QMMMGPOBSA-N	-1	0	272.330	0.322	20	30		CCEDRM
C=CCn1cc(C/N=C\c2c(O)c(C)ncc2CO)nn1	ZINC000818992781	613434041	/nfs/dbraw/zinc/43/40/41/613434041.db2.gz	UCVDTEFVEGABTF-CHHVJCJISA-N	-1	0	287.323	0.985	20	30		CCEDRM
C=CC(C)(C)C(=O)[N-]S(=O)(=O)[C@H](C)[C@@H](C)C(=O)OC	ZINC000835317716	613444414	/nfs/dbraw/zinc/44/44/14/613444414.db2.gz	XZTICCUEYIARAC-RKDXNWHRSA-N	-1	0	291.369	0.842	20	30		CCEDRM
C=C[C@@H](CC)CC(=O)N1CCO[C@H](c2nnn[n-]2)C1	ZINC000932281853	613447999	/nfs/dbraw/zinc/44/79/99/613447999.db2.gz	CRMCSMFKXXTNNF-UWVGGRQHSA-N	-1	0	265.317	0.702	20	30		CCEDRM
C=CC(C)(C)NS(=O)(=O)N(C)CCC(=O)[O-]	ZINC000903556961	613449405	/nfs/dbraw/zinc/44/94/05/613449405.db2.gz	NRNYYWFSQTVWMO-UHFFFAOYSA-N	-1	0	250.320	0.192	20	30		CCEDRM
C=C[C@@H](O)C(=O)N1CCOc2c(cccc2C(=O)[O-])C1	ZINC000911028122	613450757	/nfs/dbraw/zinc/45/07/57/613450757.db2.gz	JXDLASFQDMMRDD-LLVKDONJSA-N	-1	0	277.276	0.653	20	30		CCEDRM
C=CC1(S(=O)(=O)[N-]C(=O)Cc2cncs2)CC1	ZINC000870835439	613450849	/nfs/dbraw/zinc/45/08/49/613450849.db2.gz	CVRVQDWQPVHILI-UHFFFAOYSA-N	-1	0	272.351	0.850	20	30		CCEDRM
C=CC1(S(=O)(=O)[N-]C(=O)[C@@H]2C[C@H]3CC(=O)[C@@H]2C3)CC1	ZINC000870837475	613451185	/nfs/dbraw/zinc/45/11/85/613451185.db2.gz	NKWZEVCLABACDR-IVZWLZJFSA-N	-1	0	283.349	0.766	20	30		CCEDRM
C=CC1(S(=O)(=O)[N-]C(=O)[C@H]2CCN(C)C(=O)C2)CC1	ZINC000870832726	613451714	/nfs/dbraw/zinc/45/17/14/613451714.db2.gz	DZWDEHRMVWECJC-VIFPVBQESA-N	-1	0	286.353	0.019	20	30		CCEDRM
C=CC1(S(=O)(=O)[N-]C(=O)[C@](C)(CC)OC)CC1	ZINC000870837038	613451920	/nfs/dbraw/zinc/45/19/20/613451920.db2.gz	WFENLZHETCPBBR-JTQLQIEISA-N	-1	0	261.343	0.966	20	30		CCEDRM
C=CC1(S(=O)(=O)[N-]C(=O)c2ccc3nncn3c2)CC1	ZINC000870832806	613451972	/nfs/dbraw/zinc/45/19/72/613451972.db2.gz	RAGMVSKLFVPATD-UHFFFAOYSA-N	-1	0	292.320	0.508	20	30		CCEDRM
C=CC1(S(=O)(=O)[N-]C(=O)c2cc3n(n2)CCCO3)CC1	ZINC000870836442	613451997	/nfs/dbraw/zinc/45/19/97/613451997.db2.gz	AHNXXAOETGCUMS-UHFFFAOYSA-N	-1	0	297.336	0.444	20	30		CCEDRM
C=CC1(S(=O)(=O)[N-]C(=O)c2cnn3c2CCCC3)CC1	ZINC000870834390	613452236	/nfs/dbraw/zinc/45/22/36/613452236.db2.gz	YAAGREBUTJFNOB-UHFFFAOYSA-N	-1	0	295.364	0.998	20	30		CCEDRM
C=CC1(S(=O)(=O)[N-]C(=O)c2cnn(C)c2CC)CC1	ZINC000870833425	613452317	/nfs/dbraw/zinc/45/23/17/613452317.db2.gz	RUTZYMOQFGTNAH-UHFFFAOYSA-N	-1	0	283.353	0.761	20	30		CCEDRM
C=CCC(F)(F)C(=O)[N-]S(=O)(=O)N(C)CCC	ZINC000815980110	613455009	/nfs/dbraw/zinc/45/50/09/613455009.db2.gz	YTDOEZJAOAKYRX-UHFFFAOYSA-N	-1	0	270.301	0.901	20	30		CCEDRM
C=CCC(F)(F)C(=O)[N-]S(=O)(=O)N(C)CCOC	ZINC000815978738	613455071	/nfs/dbraw/zinc/45/50/71/613455071.db2.gz	CUCFVDSVXWQXOV-UHFFFAOYSA-N	-1	0	286.300	0.137	20	30		CCEDRM
C=CCC1(C(=O)[O-])CN(S(=O)(=O)c2ccn(C)n2)C1	ZINC000899932030	613456942	/nfs/dbraw/zinc/45/69/42/613456942.db2.gz	XZRFYCWWPDIBBH-UHFFFAOYSA-N	-1	0	285.325	0.072	20	30		CCEDRM
C=CCC1(C(=O)OCc2nc(=O)n(C)[nH]2)CCOCC1	ZINC000821151402	613457064	/nfs/dbraw/zinc/45/70/64/613457064.db2.gz	BEAITKILBTWLAC-UHFFFAOYSA-N	-1	0	281.312	0.525	20	30		CCEDRM
C=CCC1(S(=O)(=O)[N-]C(=O)[C@@H]2CCC(=O)C2)CC1	ZINC000842798987	613461218	/nfs/dbraw/zinc/46/12/18/613461218.db2.gz	IDNIOGUEQVBWSH-SECBINFHSA-N	-1	0	271.338	0.910	20	30		CCEDRM
C=CCC1(S(=O)(=O)[N-]C(=O)[C@H]2C[C@@H](C)CO2)CC1	ZINC000893035333	613461259	/nfs/dbraw/zinc/46/12/59/613461259.db2.gz	YMIJWHXUYIWCAJ-NXEZZACHSA-N	-1	0	273.354	0.966	20	30		CCEDRM
C=CCCCC(=O)[N-]S(=O)(=O)C[C@H](COC)OC	ZINC000853204456	613464862	/nfs/dbraw/zinc/46/48/62/613464862.db2.gz	XYSINUJHJPCYRP-JTQLQIEISA-N	-1	0	279.358	0.450	20	30		CCEDRM
C=CCCCNC(=O)N[C@H](COCC=C)C(=O)[O-]	ZINC000909122817	613468233	/nfs/dbraw/zinc/46/82/33/613468233.db2.gz	HHVKRBDADXBSLJ-SNVBAGLBSA-N	-1	0	256.302	0.908	20	30		CCEDRM
C=C[C@@H]1OCC[C@H]1NC(=O)C(C)(C)[N-]C(=O)C(F)(F)F	ZINC000834114079	613470376	/nfs/dbraw/zinc/47/03/76/613470376.db2.gz	KNBZTFFRPLODJR-SFYZADRCSA-N	-1	0	294.273	0.903	20	30		CCEDRM
C=CCCC[C@@H](NC(=O)Cn1ccccc1=O)C(=O)[O-]	ZINC000910922217	613470686	/nfs/dbraw/zinc/47/06/86/613470686.db2.gz	IDZXRNMZSJFHBZ-LLVKDONJSA-N	-1	0	278.308	0.774	20	30		CCEDRM
C=CCCC[C@@H](NC(=O)c1cccc(=O)n1C)C(=O)[O-]	ZINC000910913094	613471527	/nfs/dbraw/zinc/47/15/27/613471527.db2.gz	RURLJFNPVKVPFM-SNVBAGLBSA-N	-1	0	278.308	0.925	20	30		CCEDRM
C=CCCC[C@H](NC(=O)C(C)(C)NC(C)=O)C(=O)[O-]	ZINC000910913950	613472889	/nfs/dbraw/zinc/47/28/89/613472889.db2.gz	GNUGBMDAEAOHNF-JTQLQIEISA-N	-1	0	270.329	0.827	20	30		CCEDRM
C=CCCC[C@H](NS(=O)(=O)CCCOC)C(=O)[O-]	ZINC000903059299	613474685	/nfs/dbraw/zinc/47/46/85/613474685.db2.gz	OMPXPVYFCNKGEP-JTQLQIEISA-N	-1	0	279.358	0.752	20	30		CCEDRM
C=C[C@@](C)(O)C(=O)N1CCC2(C[C@@H]2C(=O)[O-])CC1	ZINC000908652231	613477495	/nfs/dbraw/zinc/47/74/95/613477495.db2.gz	LXFUUZPREYXBDZ-BXKDBHETSA-N	-1	0	253.298	0.637	20	30		CCEDRM
C=C[C@@](C)(O)C(=O)NCCc1ccccc1C(=O)[O-]	ZINC000923130640	613478452	/nfs/dbraw/zinc/47/84/52/613478452.db2.gz	YKSWCRWXWDSPOR-CQSZACIVSA-N	-1	0	263.293	0.981	20	30		CCEDRM
C=C[C@H](C)NC(=O)CN(C[C@H]1CCCO1)C(=O)[O-]	ZINC000823491593	613482550	/nfs/dbraw/zinc/48/25/50/613482550.db2.gz	XYVCKYWXNSKMLA-VHSXEESVSA-N	-1	0	256.302	0.836	20	30		CCEDRM
C=C[C@H](C)O[N-]C(=O)C(=O)Nc1cnc(CC)nc1	ZINC000846153218	613483695	/nfs/dbraw/zinc/48/36/95/613483695.db2.gz	HVIVKFHFWVEDNO-QMMMGPOBSA-N	-1	0	264.285	0.600	20	30		CCEDRM
C=C[C@H](C)O[N-]C(=O)CN1C(=O)[C@@H]2CCCC[C@H]2C1=O	ZINC000846541637	613484278	/nfs/dbraw/zinc/48/42/78/613484278.db2.gz	JTEKHEITXAQWPO-HBNTYKKESA-N	-1	0	280.324	0.784	20	30		CCEDRM
C=C[C@H](C)O[N-]C(=O)Cc1nnn(C(C)(C)C)n1	ZINC000855028559	613484622	/nfs/dbraw/zinc/48/46/22/613484622.db2.gz	WBPVYRJAUQMHAA-QMMMGPOBSA-N	-1	0	253.306	0.593	20	30		CCEDRM
C=C[C@H](C)O[N-]C(=O)[C@@H](NC(=O)COC)C(C)C	ZINC000846548569	613488369	/nfs/dbraw/zinc/48/83/69/613488369.db2.gz	UCTMSHKTQRKCGW-ONGXEEELSA-N	-1	0	258.318	0.396	20	30		CCEDRM
C=C[C@H](CC)CC(=O)N(CCN1CCOCC1)CC(=O)[O-]	ZINC000907814064	613489213	/nfs/dbraw/zinc/48/92/13/613489213.db2.gz	MPWQNZUCFBISQI-CYBMUJFWSA-N	-1	0	298.383	0.834	20	30		CCEDRM
C=C[C@H](O)C(=O)N(CCCOCC)C[C@@H](C)C(=O)[O-]	ZINC000908985298	613493498	/nfs/dbraw/zinc/49/34/98/613493498.db2.gz	VTLHIXOFZCTLNV-MNOVXSKESA-N	-1	0	273.329	0.509	20	30		CCEDRM
C=C[C@H](O)C(=O)N1CC[C@](C(=O)[O-])(c2ccccc2)C1	ZINC000909858506	613495001	/nfs/dbraw/zinc/49/50/01/613495001.db2.gz	QNIXAYYQFKLIHR-SWLSCSKDSA-N	-1	0	275.304	0.788	20	30		CCEDRM
C=C[C@](C)(CCOC)C(=O)N1CCC(O)(C(=O)[O-])CC1	ZINC000909285192	613505735	/nfs/dbraw/zinc/50/57/35/613505735.db2.gz	XDAHSLFIKSOBRO-CYBMUJFWSA-N	-1	0	285.340	0.653	20	30		CCEDRM
C=C[C@](C)(CCOC)C(=O)N(C)Cc1nc(=O)o[n-]1	ZINC000911450817	613505746	/nfs/dbraw/zinc/50/57/46/613505746.db2.gz	FRIXTDSZMLKUCP-GFCCVEGCSA-N	-1	0	269.301	0.550	20	30		CCEDRM
C=C[C@](C)(O)C(=O)N1C[C@@H](CC)[C@](F)(C(=O)[O-])C1	ZINC000910551190	613507323	/nfs/dbraw/zinc/50/73/23/613507323.db2.gz	UPDFHYFNPNBAGS-ZHAHWJHGSA-N	-1	0	259.277	0.585	20	30		CCEDRM
C=CCCNC(=O)c1cc(=O)n(-c2nc(C)cc(C)n2)[n-]1	ZINC000912378898	613569832	/nfs/dbraw/zinc/56/98/32/613569832.db2.gz	KYACCPHOUTZWLO-UHFFFAOYSA-N	-1	0	287.323	0.878	20	30		CCEDRM
C=CCCOCC(=O)[N-]S(=O)(=O)C1(COC)CC1	ZINC000811160300	613572820	/nfs/dbraw/zinc/57/28/20/613572820.db2.gz	GXZCDVUIHOAOHU-UHFFFAOYSA-N	-1	0	277.342	0.204	20	30		CCEDRM
C=CCCO[N-]C(=O)C1(N2CCOCC2)CCC1	ZINC000856034551	613576233	/nfs/dbraw/zinc/57/62/33/613576233.db2.gz	PUTFGUSDICBSCW-UHFFFAOYSA-N	-1	0	254.330	0.865	20	30		CCEDRM
C=CCCO[N-]C(=O)Cn1nc2ccccn2c1=O	ZINC000856029922	613576683	/nfs/dbraw/zinc/57/66/83/613576683.db2.gz	IUASPTBIOXGTNB-UHFFFAOYSA-N	-1	0	262.269	0.120	20	30		CCEDRM
C=CCCO[N-]C(=O)CN1C(=O)N[C@@](C)(C2CC2)C1=O	ZINC000856029451	613576690	/nfs/dbraw/zinc/57/66/90/613576690.db2.gz	OAYSXDQCKRATOM-ZDUSSCGKSA-N	-1	0	281.312	0.331	20	30		CCEDRM
C=CCCO[N-]C(=O)CN1C(=O)[C@@H]2CC=CC[C@@H]2C1=O	ZINC000856035528	613576722	/nfs/dbraw/zinc/57/67/22/613576722.db2.gz	BXHMWOCVZUMCRC-PHIMTYICSA-N	-1	0	278.308	0.562	20	30		CCEDRM
C=CCC[C@@H](NC(=O)C1C[C@@H]2COC[C@H](C1)C2=O)C(=O)[O-]	ZINC000909712332	613584296	/nfs/dbraw/zinc/58/42/96/613584296.db2.gz	ITYIWYMVGWWVRJ-FGNRJIRKSA-N	-1	0	295.335	0.764	20	30		CCEDRM
C=CCC[C@@H](NC(=O)[C@@H](O)c1cccnc1)C(=O)[O-]	ZINC000909718144	613585029	/nfs/dbraw/zinc/58/50/29/613585029.db2.gz	MYOOLEWSWQPAAV-MNOVXSKESA-N	-1	0	264.281	0.651	20	30		CCEDRM
C=CCC[C@H](NC(=O)[C@@H](OC)c1cnn(C)c1)C(=O)[O-]	ZINC000909715311	613590065	/nfs/dbraw/zinc/59/00/65/613590065.db2.gz	LNERIVSWGVMMDR-QWRGUYRKSA-N	-1	0	281.312	0.643	20	30		CCEDRM
C=CCC[C@H](NS(=O)(=O)N(C)C[C@H](C)C#N)C(=O)[O-]	ZINC000844785759	613590370	/nfs/dbraw/zinc/59/03/70/613590370.db2.gz	MRUIASDHDREULM-ZJUUUORDSA-N	-1	0	289.357	0.332	20	30		CCEDRM
C=CCC[C@H](NC(=O)c1cn(CCOC)nc1C)C(=O)[O-]	ZINC000909716054	613590570	/nfs/dbraw/zinc/59/05/70/613590570.db2.gz	PHMPZKKJJBJHSL-LBPRGKRZSA-N	-1	0	295.339	0.987	20	30		CCEDRM
C=CCCn1cc(C(=O)N[C@H](CSC)C(=O)[O-])nn1	ZINC000910871906	613595411	/nfs/dbraw/zinc/59/54/11/613595411.db2.gz	NPLOOXXFGPMJFL-SECBINFHSA-N	-1	0	284.341	0.400	20	30		CCEDRM
C=CCN(CC(=O)[O-])C(=O)NCc1cccnc1OC	ZINC000908791512	613642381	/nfs/dbraw/zinc/64/23/81/613642381.db2.gz	PYVBSQZYZLSLAP-UHFFFAOYSA-N	-1	0	279.296	0.872	20	30		CCEDRM
C=CCN(CC(=O)[O-])C(=O)NCc1nc(C2CC2)no1	ZINC000797714398	613642399	/nfs/dbraw/zinc/64/23/99/613642399.db2.gz	JFEWMAPPYWNBBK-UHFFFAOYSA-N	-1	0	280.284	0.729	20	30		CCEDRM
C=CCN(CC(=O)[O-])C(=O)[C@@H]1CCN(CC(F)(F)F)C1	ZINC000864135495	613643283	/nfs/dbraw/zinc/64/32/83/613643283.db2.gz	NIGNFYGRFCQUIF-SECBINFHSA-N	-1	0	294.273	0.970	20	30		CCEDRM
C=CCN(CC(=O)[O-])C(=O)c1nc2ncc(C)cn2n1	ZINC000851603983	613643790	/nfs/dbraw/zinc/64/37/90/613643790.db2.gz	ZIGWGLNSSRCXLL-UHFFFAOYSA-N	-1	0	275.268	0.146	20	30		CCEDRM
C=CCN(CC(=O)[O-])c1ccc2nnc(CC)n2n1	ZINC000910401915	613644382	/nfs/dbraw/zinc/64/43/82/613644382.db2.gz	LFAZQYPOTUUUBA-UHFFFAOYSA-N	-1	0	261.285	0.764	20	30		CCEDRM
C=CCN(CC(=O)OCC)Cc1cc(C(=O)[O-])nn1C	ZINC000874036417	613645628	/nfs/dbraw/zinc/64/56/28/613645628.db2.gz	HHXMCKSLXKVOAO-UHFFFAOYSA-N	-1	0	281.312	0.669	20	30		CCEDRM
CC#CCS(=O)(=O)[N-]C(=O)CCc1cccnc1	ZINC000810777537	613645773	/nfs/dbraw/zinc/64/57/73/613645773.db2.gz	DXACQJQFHUBSID-UHFFFAOYSA-N	-1	0	266.322	0.484	20	30		CCEDRM
CC#CCS(=O)(=O)[N-]C(=O)COC1CCCC1	ZINC000810773403	613645875	/nfs/dbraw/zinc/64/58/75/613645875.db2.gz	CSWVCRKYZLMWJY-UHFFFAOYSA-N	-1	0	259.327	0.415	20	30		CCEDRM
CC#CCS(=O)(=O)[N-]C(=O)CCOC[C@@H]1CCCO1	ZINC000810778152	613645921	/nfs/dbraw/zinc/64/59/21/613645921.db2.gz	WCJYNYJTIAEZTO-NSHDSACASA-N	-1	0	289.353	0.041	20	30		CCEDRM
CC#CCS(=O)(=O)[N-]C(=O)Cc1ccc(Cl)cn1	ZINC000873526473	613646122	/nfs/dbraw/zinc/64/61/22/613646122.db2.gz	UNMPIUGJGREXJM-UHFFFAOYSA-N	-1	0	286.740	0.747	20	30		CCEDRM
C=CCN(CC=C)C(=O)CN1CC[C@@H](N(C)C(=O)[O-])C1	ZINC000823500559	613646401	/nfs/dbraw/zinc/64/64/01/613646401.db2.gz	HBNYLUYAZYDBQI-GFCCVEGCSA-N	-1	0	281.356	0.871	20	30		CCEDRM
CC#CCS(=O)(=O)[N-]C(=O)[C@@H]1C[C@@H]1[C@H]1C[C@H]1C	ZINC000870332660	613646716	/nfs/dbraw/zinc/64/67/16/613646716.db2.gz	XWAIJMIGPPDQHC-LMLFDSFASA-N	-1	0	255.339	0.748	20	30		CCEDRM
CC#CCS(=O)(=O)[N-]C(=O)[C@@H]1CC12CCSCC2	ZINC000835371312	613646718	/nfs/dbraw/zinc/64/67/18/613646718.db2.gz	HQUZVHJCINMKJS-JTQLQIEISA-N	-1	0	287.406	0.989	20	30		CCEDRM
CC#CCS(=O)(=O)[N-]C(=O)c1cnccc1C	ZINC000810775524	613648004	/nfs/dbraw/zinc/64/80/04/613648004.db2.gz	JLQAUJFMZSXTDA-UHFFFAOYSA-N	-1	0	252.295	0.473	20	30		CCEDRM
C=CCN(CC=C)C(=O)C[C@H]1CN(C(=O)[O-])CCO1	ZINC000823500995	613648074	/nfs/dbraw/zinc/64/80/74/613648074.db2.gz	OUUYZIQMJJGHJT-NSHDSACASA-N	-1	0	268.313	0.956	20	30		CCEDRM
CC#CC[C@@H](CO)N=c1nn[n-]n1Cc1ccccc1	ZINC000894366659	613648263	/nfs/dbraw/zinc/64/82/63/613648263.db2.gz	NAORIUHTPBJRNO-ZDUSSCGKSA-N	-1	0	271.324	0.330	20	30		CCEDRM
C=CCNC(=O)CNC(=O)c1ccc(NC(=O)[O-])cc1	ZINC000833376660	613847054	/nfs/dbraw/zinc/84/70/54/613847054.db2.gz	NNCJYFHMGBWOMM-UHFFFAOYSA-N	-1	0	277.280	0.809	20	30		CCEDRM
C=CCNC(=O)COC(=O)c1ccc(NC(=O)[O-])c(O)c1	ZINC000825687610	613848472	/nfs/dbraw/zinc/84/84/72/613848472.db2.gz	QXZKLZUOBJRUDJ-UHFFFAOYSA-N	-1	0	294.263	0.941	20	30		CCEDRM
C=CCNC(=O)COC(=O)c1cnccc1C(=O)[O-]	ZINC000825687788	613848782	/nfs/dbraw/zinc/84/87/82/613848782.db2.gz	XCNBCCPMNKHVLR-UHFFFAOYSA-N	-1	0	264.237	0.239	20	30		CCEDRM
C=CCNC(=O)C(C#N)=C([O-])c1ccc(OC)nc1	ZINC000916917311	613852944	/nfs/dbraw/zinc/85/29/44/613852944.db2.gz	IGEXOKHCQLHDHJ-JTQLQIEISA-N	-1	0	259.265	0.715	20	30		CCEDRM
C=CCNC(=O)C(C#N)=C([O-])c1cnc(N(C)C)cn1	ZINC000847624240	613854946	/nfs/dbraw/zinc/85/49/46/613854946.db2.gz	SOXHWWIQKHJYHQ-SECBINFHSA-N	-1	0	273.296	0.167	20	30		CCEDRM
C=CCNC(=O)c1ccc(N2CCOC[C@H]2C(=O)[O-])nc1	ZINC000900946132	613856165	/nfs/dbraw/zinc/85/61/65/613856165.db2.gz	SRJUCRDMZZTLDC-NSHDSACASA-N	-1	0	291.307	0.287	20	30		CCEDRM
C=CCNc1ncc(C(=O)N(CCOC)CC(=O)[O-])s1	ZINC000833376251	613876601	/nfs/dbraw/zinc/87/66/01/613876601.db2.gz	ZRXLSXBWZYOQQW-UHFFFAOYSA-N	-1	0	299.352	0.914	20	30		CCEDRM
C=CCOCCCC(=O)N1CCC[C@H](O)[C@H]1C(=O)[O-]	ZINC000911637957	613879636	/nfs/dbraw/zinc/87/96/36/613879636.db2.gz	KOGUZRSVTQHUPQ-JQWIXIFHSA-N	-1	0	271.313	0.406	20	30		CCEDRM
C=CCOCCCC(=O)N1CCC([C@H](O)C(=O)[O-])CC1	ZINC000833375498	613879647	/nfs/dbraw/zinc/87/96/47/613879647.db2.gz	AVMAKAZVUJAUFP-ZDUSSCGKSA-N	-1	0	285.340	0.653	20	30		CCEDRM
C=CCOC[C@@H](NC(=O)CC(C)(C)COC)C(=O)[O-]	ZINC000909769675	613881523	/nfs/dbraw/zinc/88/15/23/613881523.db2.gz	AZELXMOIEFFTBX-SNVBAGLBSA-N	-1	0	273.329	0.821	20	30		CCEDRM
C=CCOC[C@@H](NC(=O)C[C@H]1CCCC[C@@H]1O)C(=O)[O-]	ZINC000909770265	613881713	/nfs/dbraw/zinc/88/17/13/613881713.db2.gz	DRHFTWKKIBEQNR-UTUOFQBUSA-N	-1	0	285.340	0.700	20	30		CCEDRM
C=CCOC[C@@H](NC(=O)c1ccnn1CC)C(=O)[O-]	ZINC000909771581	613881865	/nfs/dbraw/zinc/88/18/65/613881865.db2.gz	ONMLVYRDWXTAFL-SECBINFHSA-N	-1	0	267.285	0.289	20	30		CCEDRM
C=CCOC[C@@H](NC(=O)c1c2c(nn1C)CCC2)C(=O)[O-]	ZINC000909766379	613881916	/nfs/dbraw/zinc/88/19/16/613881916.db2.gz	IAKDLFKKYUHWBE-LLVKDONJSA-N	-1	0	293.323	0.294	20	30		CCEDRM
C=CCOC[C@@H](NC(=O)[C@H]1CCSC1)C(=O)[O-]	ZINC000909771768	613881920	/nfs/dbraw/zinc/88/19/20/613881920.db2.gz	PSRMLVBBXJBOKG-DTWKUNHWSA-N	-1	0	259.327	0.512	20	30		CCEDRM
C=CCOC[C@@H](NC(=O)c1cc[nH]c1CC)C(=O)[O-]	ZINC000909769468	613881942	/nfs/dbraw/zinc/88/19/42/613881942.db2.gz	ZABFBTDYSHKDOF-LLVKDONJSA-N	-1	0	266.297	0.963	20	30		CCEDRM
C=CCOC[C@H](NC(=O)C1(COC)CC1)C(=O)[O-]	ZINC000909771224	613882230	/nfs/dbraw/zinc/88/22/30/613882230.db2.gz	LFZIXLFHMSFLSB-VIFPVBQESA-N	-1	0	257.286	0.185	20	30		CCEDRM
C=CCOC[C@H](NC(=O)NC[C@H]1CC1(C)C)C(=O)[O-]	ZINC000908989324	613882328	/nfs/dbraw/zinc/88/23/28/613882328.db2.gz	ODQBLXHSPPLFIM-ZJUUUORDSA-N	-1	0	270.329	0.988	20	30		CCEDRM
C=CCOC[C@H](NC(=O)NC/C=C/CC)C(=O)[O-]	ZINC000909037842	613882332	/nfs/dbraw/zinc/88/23/32/613882332.db2.gz	OOQXRXGSYFXWFG-PORFMDCZSA-N	-1	0	256.302	0.908	20	30		CCEDRM
C=CCOC[C@H](NC(=O)[C@@H](C)c1ccncc1)C(=O)[O-]	ZINC000909771502	613882487	/nfs/dbraw/zinc/88/24/87/613882487.db2.gz	NQYWDMXTZXJNQU-JQWIXIFHSA-N	-1	0	278.308	0.957	20	30		CCEDRM
C=CCOC[C@H](NC(=O)c1cc(C)sn1)C(=O)[O-]	ZINC000909770979	613882636	/nfs/dbraw/zinc/88/26/36/613882636.db2.gz	KEFPTQKTRZTCBW-VIFPVBQESA-N	-1	0	270.310	0.837	20	30		CCEDRM
C=CCO[N-]C(=O)CN1C(=O)N[C@]2(CCCC[C@H]2C)C1=O	ZINC000837043503	613883212	/nfs/dbraw/zinc/88/32/12/613883212.db2.gz	AWFIWVTTWQNUKB-YGRLFVJLSA-N	-1	0	295.339	0.721	20	30		CCEDRM
C=CCO[N-]C(=O)[C@@H]1CC(c2cn(C)nc2C)=NO1	ZINC000821891788	613884442	/nfs/dbraw/zinc/88/44/42/613884442.db2.gz	PMJDWSROYRIOLB-NSHDSACASA-N	-1	0	264.285	0.455	20	30		CCEDRM
C=CCOc1ccc(CNC(=O)NCC(=O)[N-]OC)cc1	ZINC000922418073	613884700	/nfs/dbraw/zinc/88/47/00/613884700.db2.gz	URGVDOFIGFQVCG-UHFFFAOYSA-N	-1	0	293.323	0.728	20	30		CCEDRM
C=CCOc1cccnc1C(=O)[N-]N1CCOC1=O	ZINC000862702068	613884989	/nfs/dbraw/zinc/88/49/89/613884989.db2.gz	VWDJAQWMIWURAR-UHFFFAOYSA-N	-1	0	263.253	0.743	20	30		CCEDRM
C=CCS(=O)(=O)CCNC(=O)c1cccc(C(=O)[O-])n1	ZINC000833378901	613885522	/nfs/dbraw/zinc/88/55/22/613885522.db2.gz	XDKJSVSZJARXMR-UHFFFAOYSA-N	-1	0	298.320	0.110	20	30		CCEDRM
C=CCS(=O)(=O)[N-]C(=O)C(F)(F)c1nccs1	ZINC000755844123	613886099	/nfs/dbraw/zinc/88/60/99/613886099.db2.gz	ZJNHJBJSEXFCHL-UHFFFAOYSA-N	-1	0	282.293	0.867	20	30		CCEDRM
C=CCS(=O)(=O)[N-]C(=O)Cn1cc(Cl)cn1	ZINC000808994454	613886211	/nfs/dbraw/zinc/88/62/11/613886211.db2.gz	ACZZNZNJRQIVJK-UHFFFAOYSA-N	-1	0	263.706	0.169	20	30		CCEDRM
C=CCS(=O)(=O)[N-]C(=O)[C@H](C)Oc1ccccc1C#N	ZINC000132740692	613886213	/nfs/dbraw/zinc/88/62/13/613886213.db2.gz	CRWYMDPJYKQINU-JTQLQIEISA-N	-1	0	294.332	0.958	20	30		CCEDRM
C=CCS(=O)(=O)[N-]C(=O)c1cnn(C(F)F)c1	ZINC000870256435	613886347	/nfs/dbraw/zinc/88/63/47/613886347.db2.gz	HRLQZJTYCOOJBG-UHFFFAOYSA-N	-1	0	265.241	0.524	20	30		CCEDRM
CC(=O)NC[C@H]1CCCN(C(=O)[C@@](C)(C#N)CC(=O)[O-])C1	ZINC000819737472	613890103	/nfs/dbraw/zinc/89/01/03/613890103.db2.gz	SKMHJQBFHWURCZ-BXUZGUMPSA-N	-1	0	295.339	0.366	20	30		CCEDRM
CC(C)NC(=O)C(C#N)=C([O-])c1c(Cl)cnn1C	ZINC000850761730	613930805	/nfs/dbraw/zinc/93/08/05/613930805.db2.gz	RFPNPEXRKVEWRH-ZETCQYMHSA-N	-1	0	268.704	0.921	20	30		CCEDRM
CC(C)NC(=O)C(C#N)=C([O-])c1cc2n(n1)CCO2	ZINC000810533749	613933628	/nfs/dbraw/zinc/93/36/28/613933628.db2.gz	VEYVJNLWDZRASS-MRVPVSSYSA-N	-1	0	262.269	0.123	20	30		CCEDRM
CC(C)(C)OC(=O)NCCNC(=O)[C@@](C)(C#N)CC(=O)[O-]	ZINC000819927695	613989108	/nfs/dbraw/zinc/98/91/08/613989108.db2.gz	PKGOQCLSNYUYBR-CYBMUJFWSA-N	-1	0	299.327	0.632	20	30		CCEDRM
CC(C)(C)OCCNC(=O)[C@@](C)(C#N)CC(=O)[O-]	ZINC000819927841	614011225	/nfs/dbraw/zinc/01/12/25/614011225.db2.gz	WAZXDRFLAIYFLH-GFCCVEGCSA-N	-1	0	256.302	0.922	20	30		CCEDRM
CC(C)Oc1cc(C(=O)N(CC#N)CC(=O)[O-])ccn1	ZINC000827038505	614053838	/nfs/dbraw/zinc/05/38/38/614053838.db2.gz	OUOXJZXVLUDAQV-UHFFFAOYSA-N	-1	0	277.280	0.919	20	30		CCEDRM
CC(C)(C)c1noc(CCC(=O)N[C@H]2CCN(O)C2=O)n1	ZINC000816697170	614058333	/nfs/dbraw/zinc/05/83/33/614058333.db2.gz	SUCZCMCUVBRJBZ-QMMMGPOBSA-N	-1	0	296.327	0.406	20	30		CCEDRM
CC(C)S(=O)(=O)[N-]C(=O)c1cccc(C#N)n1	ZINC000810556676	614069504	/nfs/dbraw/zinc/06/95/04/614069504.db2.gz	WJQVNMWKSXWGLD-UHFFFAOYSA-N	-1	0	253.283	0.421	20	30		CCEDRM
CC(C)(CNC(=O)[C@](C)(C#N)CC(=O)[O-])N1CCOCC1	ZINC000819833906	614107781	/nfs/dbraw/zinc/10/77/81/614107781.db2.gz	KGJVONAHQOAGIY-AWEZNQCLSA-N	-1	0	297.355	0.218	20	30		CCEDRM
CC(C)[C@@H](O)C1(CNC(=O)[C@@](C)(C#N)CC(=O)[O-])CC1	ZINC000819962909	614141621	/nfs/dbraw/zinc/14/16/21/614141621.db2.gz	XWLFZBBUFYIAMX-DGCLKSJQSA-N	-1	0	282.340	0.904	20	30		CCEDRM
CC(C)[C@H](C#N)NC(=O)[C@H]1CN(C(=O)[O-])CCO1	ZINC000824054676	614187290	/nfs/dbraw/zinc/18/72/90/614187290.db2.gz	BOKRMVGUOHQWCK-DTWKUNHWSA-N	-1	0	255.274	0.030	20	30		CCEDRM
CC(C)Cn1[n-]c(CC(=O)N(C)C[C@@H](C)C#N)cc1=O	ZINC000930488707	614235010	/nfs/dbraw/zinc/23/50/10/614235010.db2.gz	MLEOKHZEPJJRNL-NSHDSACASA-N	-1	0	278.356	0.993	20	30		CCEDRM
CC(C)(C#N)C(=O)NCC1(C(=O)[O-])CCOCC1	ZINC000833408461	614284887	/nfs/dbraw/zinc/28/48/87/614284887.db2.gz	SLDBRAVCZCKQGW-UHFFFAOYSA-N	-1	0	254.286	0.534	20	30		CCEDRM
CC(C)[C@](C)(C#N)NC(=O)CN(C)[C@@H]1CCN(C(=O)[O-])C1	ZINC000824057129	614285778	/nfs/dbraw/zinc/28/57/78/614285778.db2.gz	OWYZOXSGWXPMRV-RISCZKNCSA-N	-1	0	296.371	0.725	20	30		CCEDRM
CC(C)N(CC(=O)[O-])CC(=O)N[C@@](C)(C#N)C(C)C	ZINC000820009659	614288010	/nfs/dbraw/zinc/28/80/10/614288010.db2.gz	WQXLQRYVZUJJAV-ZDUSSCGKSA-N	-1	0	269.345	0.836	20	30		CCEDRM
CC(C)c1nc(S(=O)(=O)N(CC#N)CC(=O)[O-])c[nH]1	ZINC000827153246	614324529	/nfs/dbraw/zinc/32/45/29/614324529.db2.gz	PKDXIQVPCBIZPU-UHFFFAOYSA-N	-1	0	286.313	0.132	20	30		CCEDRM
CC(C)c1nnc(NC(=O)CN(CC#N)CC(=O)[O-])s1	ZINC000827168582	614335722	/nfs/dbraw/zinc/33/57/22/614335722.db2.gz	NFCFWTAOCBIPFH-UHFFFAOYSA-N	-1	0	297.340	0.510	20	30		CCEDRM
CC(C)N1CC[C@@H](NC(=O)[C@@](C)(C#N)CC(=O)[O-])C1=O	ZINC000820024922	614375476	/nfs/dbraw/zinc/37/54/76/614375476.db2.gz	JSWUXSLOCYQXFJ-NOZJJQNGSA-N	-1	0	281.312	0.116	20	30		CCEDRM
CCC(C#N)(CC)C(=O)N(CCOC)CC(=O)[O-]	ZINC000901427228	614470339	/nfs/dbraw/zinc/47/03/39/614470339.db2.gz	COMNEPCTBPYPDY-UHFFFAOYSA-N	-1	0	256.302	0.876	20	30		CCEDRM
CCCC[C@@H](CNC(=O)[O-])NC(=O)Cn1cnc(C#N)n1	ZINC000826786807	614475015	/nfs/dbraw/zinc/47/50/15/614475015.db2.gz	CUPHYCINCMBEHW-VIFPVBQESA-N	-1	0	294.315	0.092	20	30		CCEDRM
CC1(C(=O)[O-])CN(C(=O)C2(C#N)CCSCC2)C1	ZINC000907718045	614494906	/nfs/dbraw/zinc/49/49/06/614494906.db2.gz	BLQAFQNYCPLIML-UHFFFAOYSA-N	-1	0	268.338	0.956	20	30		CCEDRM
CCCn1nccc1C(=O)[N-]S(=O)(=O)CC1(C#N)CC1	ZINC000850940110	614548694	/nfs/dbraw/zinc/54/86/94/614548694.db2.gz	IHDOVSINGMKLGP-UHFFFAOYSA-N	-1	0	296.352	0.656	20	30		CCEDRM
CC1(C)CN(C(=O)[O-])CCN1S(=O)(=O)CCCC#N	ZINC000825728837	614593856	/nfs/dbraw/zinc/59/38/56/614593856.db2.gz	CBJWOFQAFUOKHZ-UHFFFAOYSA-N	-1	0	289.357	0.694	20	30		CCEDRM
C[C@](C#N)(CC(=O)[O-])C(=O)N[C@@H]1[C@H]2CCO[C@H]2C1(C)C	ZINC000819822546	614863449	/nfs/dbraw/zinc/86/34/49/614863449.db2.gz	PETKXLCMQVDWFB-IDTAVKCVSA-N	-1	0	280.324	0.921	20	30		CCEDRM
CCN(CC#N)C(=O)[C@H]1[C@H](C)OC(C)(C)N1C(=O)[O-]	ZINC000833856641	614923154	/nfs/dbraw/zinc/92/31/54/614923154.db2.gz	OXXIBCHTADFPRE-DTWKUNHWSA-N	-1	0	269.301	0.862	20	30		CCEDRM
CCN(CC#N)C(=O)[C@@H]1[C@@H](C)OC(C)(C)N1C(=O)[O-]	ZINC000833856640	614923305	/nfs/dbraw/zinc/92/33/05/614923305.db2.gz	OXXIBCHTADFPRE-BDAKNGLRSA-N	-1	0	269.301	0.862	20	30		CCEDRM
CCCCCNC(=O)C(C#N)=C([O-])c1cnnn1C	ZINC000798815527	614923991	/nfs/dbraw/zinc/92/39/91/614923991.db2.gz	XWCUCFLGNBZNKF-SECBINFHSA-N	-1	0	263.301	0.444	20	30		CCEDRM
CCCS(=O)(=O)[N-]C(=O)COc1ccc(C#N)cc1	ZINC000123069564	614965863	/nfs/dbraw/zinc/96/58/63/614965863.db2.gz	RLUHRGHXZASRCW-UHFFFAOYSA-N	-1	0	282.321	0.793	20	30		CCEDRM
CCN(CC)S(=O)(=O)N1CCC(C#CC(=O)[O-])CC1	ZINC000844819982	615006552	/nfs/dbraw/zinc/00/65/52/615006552.db2.gz	ASYUFMXIWUUWLG-UHFFFAOYSA-N	-1	0	288.369	0.373	20	30		CCEDRM
CCN(CCO)N=Cc1ccc([O-])c([N+](=O)[O-])c1	ZINC000842534760	615055218	/nfs/dbraw/zinc/05/52/18/615055218.db2.gz	XNJGDQSQLOHCBE-UHFFFAOYSA-N	-1	0	253.258	0.949	20	30		CCEDRM
CCOC1(C(=O)N[C@H]2CCCN(O)C2=O)CCC1	ZINC000854649055	615206665	/nfs/dbraw/zinc/20/66/65/615206665.db2.gz	PERINSARSBTXPB-VIFPVBQESA-N	-1	0	256.302	0.442	20	30		CCEDRM
CCOC(=O)C[C@H](C)NC(=O)[C@@](C)(C#N)CC(=O)[O-]	ZINC000820364350	615211509	/nfs/dbraw/zinc/21/15/09/615211509.db2.gz	CRKITNBGZDXVFX-QPUJVOFHSA-N	-1	0	270.285	0.449	20	30		CCEDRM
CCO[N-]C(=O)CNC(=O)Cc1ccc(C#N)cc1	ZINC000846498831	615358222	/nfs/dbraw/zinc/35/82/22/615358222.db2.gz	SLIACAXLKAGRFY-UHFFFAOYSA-N	-1	0	261.281	0.285	20	30		CCEDRM
CCO[N-]C(=O)CNC(=O)[C@]1(C#N)CC12CCCC2	ZINC000846490666	615370197	/nfs/dbraw/zinc/37/01/97/615370197.db2.gz	JCGAOUYFWDDNLA-CYBMUJFWSA-N	-1	0	265.313	0.644	20	30		CCEDRM
CCOC(=O)c1[nH]c(=O)n(-c2cc(C#N)ccc2C)c1[O-]	ZINC000813359491	615387904	/nfs/dbraw/zinc/38/79/04/615387904.db2.gz	NHIPBXIUEOKUKA-NSHDSACASA-N	-1	0	287.275	0.855	20	30		CCEDRM
CCOc1ncccc1C(=O)N[C@H]1CCN(O)C1=O	ZINC000816695433	615526267	/nfs/dbraw/zinc/52/62/67/615526267.db2.gz	BZGVVJOFBRYZNH-VIFPVBQESA-N	-1	0	265.269	0.200	20	30		CCEDRM
CCS(=O)(=O)CC(=O)[N-]Oc1cccc(C#N)c1	ZINC000870692678	615529349	/nfs/dbraw/zinc/52/93/49/615529349.db2.gz	KLCHHTVVFXUWKB-UHFFFAOYSA-N	-1	0	268.294	0.403	20	30		CCEDRM
CCn1nc(C)c(C=NNc2nc(C)cc(=O)[nH]2)n1	ZINC000834912340	615650810	/nfs/dbraw/zinc/65/08/10/615650810.db2.gz	NWYCOXDSDCSDTJ-UHFFFAOYSA-N	-1	0	261.289	0.856	20	30		CCEDRM
CCn1nc(C)c(C([O-])=C(C#N)C(=O)NC2CC2)n1	ZINC000815909103	615650843	/nfs/dbraw/zinc/65/08/43/615650843.db2.gz	QWZUMZYKWCXMSA-SECBINFHSA-N	-1	0	261.285	0.208	20	30		CCEDRM
CCn1nncc1C([O-])=C(C#N)C(=O)NCc1ccccc1	ZINC000815906856	615752211	/nfs/dbraw/zinc/75/22/11/615752211.db2.gz	KZYMXVGJJCGPEZ-GFCCVEGCSA-N	-1	0	297.318	0.937	20	30		CCEDRM
CCc1nn(C[C@H](O)CC(=O)[O-])c(=O)c(C#N)c1CC	ZINC000830327214	615802976	/nfs/dbraw/zinc/80/29/76/615802976.db2.gz	BASKFCJTCTVJAD-MRVPVSSYSA-N	-1	0	279.296	0.075	20	30		CCEDRM
CCc1nnc(COC(=O)[C@](C)(C#N)CC(=O)[O-])o1	ZINC000820504081	615815136	/nfs/dbraw/zinc/81/51/36/615815136.db2.gz	SOHOIBBNAIJGTK-NSHDSACASA-N	-1	0	267.241	0.680	20	30		CCEDRM
CN(C(=O)COC(=O)C(C)(C)CNC(=O)[O-])C(C)(C)C#N	ZINC000827776079	615816959	/nfs/dbraw/zinc/81/69/59/615816959.db2.gz	XXCIRTHIXCWUCA-UHFFFAOYSA-N	-1	0	299.327	0.584	20	30		CCEDRM
CC[C@H](NN=C1C(=O)Nc2cc(OC)c(F)cc21)C(=O)[O-]	ZINC000834981235	615819830	/nfs/dbraw/zinc/81/98/30/615819830.db2.gz	KLDMMLCSOKFTRO-QMMMGPOBSA-N	-1	0	295.270	0.943	20	30		CCEDRM
CN(C(=O)Cn1cnc(C#N)n1)[C@@H](C(=O)[O-])c1ccccc1	ZINC000830500368	615830781	/nfs/dbraw/zinc/83/07/81/615830781.db2.gz	PKYDVJLTXHGZHL-CYBMUJFWSA-N	-1	0	299.290	0.434	20	30		CCEDRM
CN(C(=O)Nc1nn(C)cc1C#N)[C@H]1CCN(C(=O)[O-])C1	ZINC000827816041	615842626	/nfs/dbraw/zinc/84/26/26/615842626.db2.gz	KGMOQQMQARLZCD-VIFPVBQESA-N	-1	0	292.299	0.508	20	30		CCEDRM
CN(C(=O)[O-])[C@@H]1CCN(CC(=O)N[C@](C)(C#N)C2CC2)C1	ZINC000827881500	615844639	/nfs/dbraw/zinc/84/46/39/615844639.db2.gz	FBBUDRULTFJESY-BXUZGUMPSA-N	-1	0	294.355	0.479	20	30		CCEDRM
CN(C(=O)c1cc(C#N)cn1C)[C@@H]1CCN(C(=O)[O-])C1	ZINC000827928170	615894136	/nfs/dbraw/zinc/89/41/36/615894136.db2.gz	XYDKMHUHHDMILF-SNVBAGLBSA-N	-1	0	276.296	0.721	20	30		CCEDRM
CN(C(=O)c1cc(C#N)c[nH]1)[C@@H]1CCN(C(=O)[O-])C1	ZINC000827928367	615894281	/nfs/dbraw/zinc/89/42/81/615894281.db2.gz	ZJAJIVSDZSOOIH-SECBINFHSA-N	-1	0	262.269	0.711	20	30		CCEDRM
CC[S@@](=O)c1ccccc1C(=O)N[C@H]1CCN(O)C1=O	ZINC000820157123	616006891	/nfs/dbraw/zinc/00/68/91/616006891.db2.gz	SHJKQVFUUSFOEP-WVDJIFEKSA-N	-1	0	296.348	0.534	20	30		CCEDRM
CCn1cc(S(=O)(=O)[N-]C(=O)CCCC#N)nc1C	ZINC000813081220	616010952	/nfs/dbraw/zinc/01/09/52/616010952.db2.gz	KPZBCKADVVKXHF-UHFFFAOYSA-N	-1	0	284.341	0.710	20	30		CCEDRM
CC[S@@](C)(=O)=NS(=O)(=O)[N-][C@H](C#N)C(C)(C)C	ZINC000906059927	616012170	/nfs/dbraw/zinc/01/21/70/616012170.db2.gz	CPUMLUKKYUQJHM-VPTHRUTESA-N	-1	0	281.403	0.877	20	30		CCEDRM
CN(C)c1ccc(NC(=O)N[C@H]2CCCN(O)C2=O)cn1	ZINC000878246162	616018058	/nfs/dbraw/zinc/01/80/58/616018058.db2.gz	NLVDBLIWYHMQFY-JTQLQIEISA-N	-1	0	293.327	0.649	20	30		CCEDRM
CN(C)c1nc(Cl)c(C=Nn2c(=O)[n-][nH]c2=O)s1	ZINC000814231275	616034320	/nfs/dbraw/zinc/03/43/20/616034320.db2.gz	BHYZFZVASZQKHO-UHFFFAOYSA-N	-1	0	288.720	0.747	20	30		CCEDRM
CN(C1(C(=O)[O-])CCCC1)S(=O)(=O)CCCC#N	ZINC000830651330	616039025	/nfs/dbraw/zinc/03/90/25/616039025.db2.gz	PYCNCASPPIGHOG-UHFFFAOYSA-N	-1	0	274.342	0.949	20	30		CCEDRM
CN(CC(=O)[O-])C(=O)C#Cc1ccc2c(c1)OCO2	ZINC000818394736	616049504	/nfs/dbraw/zinc/04/95/04/616049504.db2.gz	SYLUIEQVIFZFTF-UHFFFAOYSA-N	-1	0	261.233	0.310	20	30		CCEDRM
CN(CCNC(=O)c1ccc(C#N)s1)C(=O)[O-]	ZINC000828329336	616095646	/nfs/dbraw/zinc/09/56/46/616095646.db2.gz	AGMUOPQZFGIOBT-UHFFFAOYSA-N	-1	0	253.283	0.959	20	30		CCEDRM
CN([C@H](C(=O)[O-])c1cccc(C#N)c1)[C@H]1CCNC1=O	ZINC000833692432	616118064	/nfs/dbraw/zinc/11/80/64/616118064.db2.gz	WVCBDDUURKFZNE-RYUDHWBXSA-N	-1	0	273.292	0.504	20	30		CCEDRM
CN(C[C@H]1CCN(C(=O)c2cc(C#N)cn2C)C1)C(=O)[O-]	ZINC000828252652	616155426	/nfs/dbraw/zinc/15/54/26/616155426.db2.gz	AHQLENKRMHNQEI-SNVBAGLBSA-N	-1	0	290.323	0.969	20	30		CCEDRM
CN1CCN([C@@H](C(=O)[O-])c2cccc(C#N)c2)CC1	ZINC000830950365	616246673	/nfs/dbraw/zinc/24/66/73/616246673.db2.gz	JRXHUJLAHLHQIL-CYBMUJFWSA-N	-1	0	259.309	0.931	20	30		CCEDRM
COC/C(C)=C\C(=O)[N-]S(=O)(=O)c1cncc(C#N)c1	ZINC000845575915	616383844	/nfs/dbraw/zinc/38/38/44/616383844.db2.gz	LERZRRRRJXYLDC-OQFOIZHKSA-N	-1	0	295.320	0.351	20	30		CCEDRM
COC1(C(=O)N[C@@H]2CCC[C@@H]2C#N)CCN(C(=O)[O-])CC1	ZINC000828855449	616426650	/nfs/dbraw/zinc/42/66/50/616426650.db2.gz	DADVDWFFJAPMNR-GHMZBOCLSA-N	-1	0	295.339	0.954	20	30		CCEDRM
COCCOc1cccc(C=NNCC(=O)[O-])c1	ZINC000814960907	616595516	/nfs/dbraw/zinc/59/55/16/616595516.db2.gz	XUCHXLRGDHPCEQ-UHFFFAOYSA-N	-1	0	252.270	0.720	20	30		CCEDRM
COCCn1c(C)cc(C=Nn2c(=O)[n-][nH]c2=O)c1C	ZINC000814231133	616710918	/nfs/dbraw/zinc/71/09/18/616710918.db2.gz	NBHFEYIMVREKLY-UHFFFAOYSA-N	-1	0	279.300	0.636	20	30		CCEDRM
CNC(=O)C(C#N)=C([O-])c1ccc(NC)c([N+](=O)[O-])c1	ZINC000917002671	616777213	/nfs/dbraw/zinc/77/72/13/616777213.db2.gz	RXVQDGYJEAZHQH-QMMMGPOBSA-N	-1	0	276.252	0.705	20	30		CCEDRM
CNC(=O)C(C#N)=C([O-])c1ccc2c(c1)CCOC2	ZINC000850765108	616777918	/nfs/dbraw/zinc/77/79/18/616777918.db2.gz	XAXCRDVPOMOBKQ-LBPRGKRZSA-N	-1	0	258.277	0.828	20	30		CCEDRM
COC[C@](C)(C#N)NC(=O)[C@@H]1CC[C@@H](NC(=O)[O-])C1	ZINC000828886421	616817678	/nfs/dbraw/zinc/81/76/78/616817678.db2.gz	VNSLAGMXERSPTK-LNLATYFQSA-N	-1	0	269.301	0.468	20	30		CCEDRM
COC[C@@H](C)NC(=S)NN=Cc1cc(C(=O)[O-])co1	ZINC000901137319	616827218	/nfs/dbraw/zinc/82/72/18/616827218.db2.gz	FKVVDAKFAVSHRT-SSDOTTSWSA-N	-1	0	285.325	0.811	20	30		CCEDRM
CNC(=O)C(C#N)=C([O-])c1nnn(-c2cccc(C)c2)c1C	ZINC000917430661	616839798	/nfs/dbraw/zinc/83/97/98/616839798.db2.gz	AKVIFJYXNRNPLL-GFCCVEGCSA-N	-1	0	297.318	0.953	20	30		CCEDRM
CO[C@@]1(C(=O)[O-])CCN(C(=O)[C@@]2(C#N)CCCOC2)C1	ZINC000923097788	616922683	/nfs/dbraw/zinc/92/26/83/616922683.db2.gz	ALJGXSGYDYVTIY-OLZOCXBDSA-N	-1	0	282.296	0.009	20	30		CCEDRM
COCCCn1nccc1C=NNc1nnc(C)c(=O)[n-]1	ZINC000802706630	616938625	/nfs/dbraw/zinc/93/86/25/616938625.db2.gz	UWNJBLOUZBUSRM-UHFFFAOYSA-N	-1	0	291.315	0.565	20	30		CCEDRM
COC(=O)[C@@H](C)n1cccc1C=NNCC(=O)[O-]	ZINC000814959813	616952463	/nfs/dbraw/zinc/95/24/63/616952463.db2.gz	DQENQHJTBZHMHP-MRVPVSSYSA-N	-1	0	253.258	0.230	20	30		CCEDRM
COCCN(CC(=O)N1CCSC[C@@H]1C#N)C(=O)[O-]	ZINC000833885065	616978606	/nfs/dbraw/zinc/97/86/06/616978606.db2.gz	ZQNYEGVLROOAFM-VIFPVBQESA-N	-1	0	287.341	0.080	20	30		CCEDRM
COC[C@@](C)(CC(=O)[O-])NC(=O)c1cc(C#N)cn1C	ZINC000831563483	617012801	/nfs/dbraw/zinc/01/28/01/617012801.db2.gz	KWLOCUBTSSQFHI-CYBMUJFWSA-N	-1	0	279.296	0.506	20	30		CCEDRM
COC(=O)c1csc(C(C)=NNCC(=O)[O-])c1	ZINC000814958245	617019295	/nfs/dbraw/zinc/01/92/95/617019295.db2.gz	HBKPSLHMUZQQJZ-UHFFFAOYSA-N	-1	0	256.283	0.933	20	30		CCEDRM
COC[C@@](C)(NC(=O)[C@H](O)c1ccc(C#N)cc1)C(=O)[O-]	ZINC000833720533	617022122	/nfs/dbraw/zinc/02/21/22/617022122.db2.gz	ATOWXHHVGDJUKY-BXUZGUMPSA-N	-1	0	292.291	0.198	20	30		CCEDRM
COC[C@@](C)(NC(=O)c1cc(C#N)cn1C)C(=O)[O-]	ZINC000831612472	617022790	/nfs/dbraw/zinc/02/27/90/617022790.db2.gz	AOKLVMAUAXKDGS-GFCCVEGCSA-N	-1	0	265.269	0.116	20	30		CCEDRM
CO[C@H](C)CCC(=O)[N-]S(=O)(=O)CC1(C#N)CC1	ZINC000793200977	617052866	/nfs/dbraw/zinc/05/28/66/617052866.db2.gz	HTUTURPPSGPAAO-SECBINFHSA-N	-1	0	274.342	0.551	20	30		CCEDRM
CO[C@H]1CC[C@H](C(=O)[N-]S(=O)(=O)CCCC#N)C1	ZINC000850927055	617104552	/nfs/dbraw/zinc/10/45/52/617104552.db2.gz	YEGVZZHFOUQTFW-UWVGGRQHSA-N	-1	0	274.342	0.551	20	30		CCEDRM
CO[C@@H](C(=O)[O-])C(=O)NCCc1ccc(C#N)cc1	ZINC000902045110	617128516	/nfs/dbraw/zinc/12/85/16/617128516.db2.gz	BMXDBFVYIUKGHO-LLVKDONJSA-N	-1	0	262.265	0.317	20	30		CCEDRM
CO[C@@H](C(=O)[O-])C(=O)N[C@@H]1Cc2ccc(C#N)cc2C1	ZINC000902545783	617128858	/nfs/dbraw/zinc/12/88/58/617128858.db2.gz	LLBMCZLBIVVSOI-VXGBXAGGSA-N	-1	0	274.276	0.241	20	30		CCEDRM
CO[C@]1(C(=O)[O-])CCN(C(=O)C2(C#N)CC3(CC3)C2)C1	ZINC000923099513	617130820	/nfs/dbraw/zinc/13/08/20/617130820.db2.gz	ZBWCIFWWYSHFHQ-CQSZACIVSA-N	-1	0	278.308	0.772	20	30		CCEDRM
COc1cc(C(=O)N[C@]2(C(=O)[O-])CCOC2)ccc1C#N	ZINC000852958172	617167974	/nfs/dbraw/zinc/16/79/74/617167974.db2.gz	FQAGKIHHGIRGQD-CQSZACIVSA-N	-1	0	290.275	0.540	20	30		CCEDRM
N#Cc1cncc(S(=O)(=O)[N-]C(=O)C2(C3CC3)CC2)c1	ZINC000893067110	625308538	/nfs/dbraw/zinc/30/85/38/625308538.db2.gz	GUPKLTITMNGPTD-UHFFFAOYSA-N	-1	0	291.332	0.948	20	30		CCEDRM
C[C@@H](O)CN(C)N=Cc1ccc(O)c(C(=O)[O-])c1	ZINC000841650709	625326563	/nfs/dbraw/zinc/32/65/63/625326563.db2.gz	OVFWSLFIXYPNLT-MRVPVSSYSA-N	-1	0	252.270	0.737	20	30		CCEDRM
O=C([O-])c1cc(C=NN2CCC[C@@H]2CO)ccc1O	ZINC000841657193	625580775	/nfs/dbraw/zinc/58/07/75/625580775.db2.gz	IFTMMDSDIFPBSK-SNVBAGLBSA-N	-1	0	264.281	0.881	20	30		CCEDRM
C#CCN(C)S(=O)(=O)c1cccc(C(=O)[O-])c1C	ZINC000162070511	623072332	/nfs/dbraw/zinc/07/23/32/623072332.db2.gz	CCHXIDYUFYTTEW-UHFFFAOYSA-N	-1	0	267.306	0.947	20	30		CCEDRM
Cc1n[nH]c(C(=O)N[C@@H]2CCN(CC#N)[C@@H](C)C2)c1[O-]	ZINC000947205218	623216731	/nfs/dbraw/zinc/21/67/31/623216731.db2.gz	NQDBCQFVPXECGF-WCBMZHEXSA-N	-1	0	277.328	0.530	20	30		CCEDRM
Cn1nc2c(c1C([O-])=C(C#N)C(=O)NC1CC1)CCCC2	ZINC000892497100	623373743	/nfs/dbraw/zinc/37/37/43/623373743.db2.gz	WIPWGISZZSKEGX-NSHDSACASA-N	-1	0	286.335	0.900	20	30		CCEDRM
CC(C)S(=O)(=O)[N-]C(=O)c1ccc(-n2cnnn2)cc1	ZINC000049418028	624460653	/nfs/dbraw/zinc/46/06/53/624460653.db2.gz	KHFMKZWTEKANMA-UHFFFAOYSA-N	-1	0	295.324	0.705	20	30		CCEDRM
Cn1nc(C(=O)[O-])cc1C(=O)N1CCC[C@H](C#N)C1	ZINC000902831940	634470808	/nfs/dbraw/zinc/47/08/08/634470808.db2.gz	PLUQJJPLTPSDCV-MRVPVSSYSA-N	-1	0	262.269	0.494	20	30		CCEDRM
N#CC[C@H](NC(=O)[C@@H]1CC[C@H](C(=O)[O-])O1)C(F)(F)F	ZINC000905129593	634805085	/nfs/dbraw/zinc/80/50/85/634805085.db2.gz	IEMBKLYSOWGZIN-XVMARJQXSA-N	-1	0	280.202	0.579	20	30		CCEDRM
C#CCCCC(=O)[N-]S(=O)(=O)c1cnc(OC)nc1	ZINC000893773996	631455441	/nfs/dbraw/zinc/45/54/41/631455441.db2.gz	YCIOXUBFAFUVQI-UHFFFAOYSA-N	-1	0	283.309	0.094	20	30		CCEDRM
C=CCC[C@@H](NC(=O)CNC(=O)C(C)(C)C)C(=O)[O-]	ZINC000262917655	632768378	/nfs/dbraw/zinc/76/83/78/632768378.db2.gz	NSPANZRWOXGSNW-SECBINFHSA-N	-1	0	270.329	0.684	20	30		CCEDRM
C[C@H](CO)NN=Cc1cc(Cl)ncc1C(=O)[O-]	ZINC000905450507	634863968	/nfs/dbraw/zinc/86/39/68/634863968.db2.gz	SNFVEQNDOJQHIA-ZCFIWIBFSA-N	-1	0	257.677	0.738	20	30		CCEDRM
C[C@@H]1C(=O)N([N-]C(=O)c2ccc(C#N)s2)C(=O)N1C	ZINC000899031855	633716050	/nfs/dbraw/zinc/71/60/50/633716050.db2.gz	CALSLOUPNOIGOS-ZCFIWIBFSA-N	-1	0	278.293	0.547	20	30		CCEDRM
N#Cc1cnc(N2CCOC[C@@H]2C(=O)[O-])c(Cl)c1	ZINC000900946495	634126080	/nfs/dbraw/zinc/12/60/80/634126080.db2.gz	VWSHTFXGSRCRRQ-SECBINFHSA-N	-1	0	267.672	0.896	20	30		CCEDRM
C=C[C@H](O)C(=O)Nc1nc2c(s1)CC[C@H](C(=O)[O-])C2	ZINC000910676911	635822123	/nfs/dbraw/zinc/82/21/23/635822123.db2.gz	IUMMQUXXUIOSJY-XPUUQOCRSA-N	-1	0	282.321	0.818	20	30		CCEDRM
CCCc1cc(C([O-])=C(C#N)C(=O)NC2CC2)n[nH]1	ZINC000916926757	637932512	/nfs/dbraw/zinc/93/25/12/637932512.db2.gz	VGHHHWSHPOEAMU-SNVBAGLBSA-N	-1	0	260.297	0.963	20	30		CCEDRM
N#CC(C(=O)NC1CC1)=C([O-])c1cccc(NC(N)=O)c1	ZINC000916927068	637932805	/nfs/dbraw/zinc/93/28/05/637932805.db2.gz	ISFJNSVGQVWXQW-NSHDSACASA-N	-1	0	286.291	0.778	20	30		CCEDRM
COCC#CCn1[n-]c(=O)c(Cl)c(Cl)c1=O	ZINC000918256366	638011298	/nfs/dbraw/zinc/01/12/98/638011298.db2.gz	UALSOCAMZKSFOJ-UHFFFAOYSA-N	-1	0	263.080	0.906	20	30		CCEDRM
Cc1n[nH]c(C(=O)N[C@H]2CCN(CC#N)C[C@H]2C)c1[O-]	ZINC000941960311	638590056	/nfs/dbraw/zinc/59/00/56/638590056.db2.gz	VIIUPOXJJWLSGF-SCZZXKLOSA-N	-1	0	277.328	0.388	20	30		CCEDRM
N#C[C@]1(C(=O)N[C@H](CC(=O)[O-])C(F)(F)F)CCCOC1	ZINC000923112670	640024213	/nfs/dbraw/zinc/02/42/13/640024213.db2.gz	MVYNTZBEXPUKCR-GMSGAONNSA-N	-1	0	294.229	0.829	20	30		CCEDRM
C[C@@H]1CC(NC(=O)c2ccc(-c3nc(=O)o[n-]3)cc2)=NO1	ZINC000765374713	640381926	/nfs/dbraw/zinc/38/19/26/640381926.db2.gz	BEAYNMOXZMBAIB-SSDOTTSWSA-N	-1	0	288.263	0.882	20	30		CCEDRM
N#CC1(c2ccccn2)CCN(C(=O)c2cc(=O)[nH][n-]2)CC1	ZINC000800696129	640619955	/nfs/dbraw/zinc/61/99/55/640619955.db2.gz	XUPLEWROUPTPGE-UHFFFAOYSA-N	-1	0	297.318	0.341	20	30		CCEDRM
COc1nc(C(=O)OCCO[C@H](C)C#N)cc(=O)[n-]1	ZINC000801857974	640670585	/nfs/dbraw/zinc/67/05/85/640670585.db2.gz	NEULDNZXNQHEON-SSDOTTSWSA-N	-1	0	267.241	0.276	20	30		CCEDRM
Cn1ccnc1C(=O)C(C#N)=C([O-])c1cccc(C#N)n1	ZINC000810636289	640941893	/nfs/dbraw/zinc/94/18/93/640941893.db2.gz	PGADCHSJDFYELE-SNVBAGLBSA-N	-1	0	279.259	0.892	20	30		CCEDRM
N#CCCCS(=O)(=O)[N-]C(=O)C1(CCF)CC1	ZINC000810657021	640944023	/nfs/dbraw/zinc/94/40/23/640944023.db2.gz	RFFMZBZVFWDZRV-UHFFFAOYSA-N	-1	0	262.306	0.876	20	30		CCEDRM
CC#CCS(=O)(=O)[N-]C(=O)c1ccnc(OC(C)C)c1	ZINC000810775565	640949296	/nfs/dbraw/zinc/94/92/96/640949296.db2.gz	KSDMQUSMFBOGPA-UHFFFAOYSA-N	-1	0	296.348	0.952	20	30		CCEDRM
CC#CCS(=O)(=O)[N-]C(=O)c1scnc1Cl	ZINC000810774531	640949574	/nfs/dbraw/zinc/94/95/74/640949574.db2.gz	JRIYFRHPKOVAIZ-UHFFFAOYSA-N	-1	0	278.742	0.879	20	30		CCEDRM
Cc1nnsc1C=NNc1nnc(C)c(=O)[n-]1	ZINC000814214962	641060222	/nfs/dbraw/zinc/06/02/22/641060222.db2.gz	JWJWCVDEGDHVKM-UHFFFAOYSA-N	-1	0	251.275	0.492	20	30		CCEDRM
O=C1[N-]C(=O)C(=NNc2cc(F)c(F)cc2F)C(=O)N1	ZINC000814222558	641060358	/nfs/dbraw/zinc/06/03/58/641060358.db2.gz	AKDXBENPXVHBIP-UHFFFAOYSA-N	-1	0	286.169	0.238	20	30		CCEDRM
O=C1[N-]C(=O)C(=NNCc2cccc(Cl)c2)C(=O)N1	ZINC000814223545	641060528	/nfs/dbraw/zinc/06/05/28/641060528.db2.gz	JIGULQUNFLFXJV-UHFFFAOYSA-N	-1	0	280.671	0.152	20	30		CCEDRM
Cc1nc(C=Nn2c(=O)[n-][nH]c2=O)c2ccccn12	ZINC000814231094	641061528	/nfs/dbraw/zinc/06/15/28/641061528.db2.gz	LKNYFFFKTXJBNA-UHFFFAOYSA-N	-1	0	258.241	0.528	20	30		CCEDRM
Cn1cc(C=Nn2c(=O)[n-][nH]c2=O)c(-c2ccncc2)n1	ZINC000814231673	641062380	/nfs/dbraw/zinc/06/23/80/641062380.db2.gz	CGCZUTFXOXFVAS-UHFFFAOYSA-N	-1	0	285.267	0.367	20	30		CCEDRM
NC(=O)CNN=C1CCc2cccc(C(=O)[O-])c2C1	ZINC000814903981	641081897	/nfs/dbraw/zinc/08/18/97/641081897.db2.gz	LHERDXYTWXIBLM-UHFFFAOYSA-N	-1	0	261.281	0.304	20	30		CCEDRM
C[C@H](O)CNN=Cc1ccc(OCC(=O)[O-])c([N+](=O)[O-])c1	ZINC000814961883	641086310	/nfs/dbraw/zinc/08/63/10/641086310.db2.gz	UZIKXXHPEIOOFZ-QMMMGPOBSA-N	-1	0	297.267	0.363	20	30		CCEDRM
O=C(N[C@@H]1CCN(O)C1=O)c1ccc([N+](=O)[O-])c([O-])c1	ZINC000816691206	641190712	/nfs/dbraw/zinc/19/07/12/641190712.db2.gz	NBZVNCRGUNCNMT-SSDOTTSWSA-N	-1	0	281.224	0.020	20	30		CCEDRM
N#CC1CN(C(=O)c2n[n-]c3ccccc3c2=O)C1	ZINC000817547300	641263005	/nfs/dbraw/zinc/26/30/05/641263005.db2.gz	VYMPGGHZYDWTPX-UHFFFAOYSA-N	-1	0	254.249	0.931	20	30		CCEDRM
C[C@H](NN=Cc1cn(CC(=O)[O-])nn1)c1ccncc1	ZINC000819816950	641434757	/nfs/dbraw/zinc/43/47/57/641434757.db2.gz	SQBIFMWNWNFDOW-VIFPVBQESA-N	-1	0	274.284	0.442	20	30		CCEDRM
C[C@H]1CCn2ncc(C(=O)N[C@@H]3CCN(O)C3=O)c2C1	ZINC000820131766	641464448	/nfs/dbraw/zinc/46/44/48/641464448.db2.gz	LIOAJTZYKMFQSL-WCBMZHEXSA-N	-1	0	278.312	0.185	20	30		CCEDRM
O=C(N[C@H]1CCN(O)C1=O)[C@H]1CC12CCSCC2	ZINC000820138219	641469207	/nfs/dbraw/zinc/46/92/07/641469207.db2.gz	XULZQOPNQKVJHM-BDAKNGLRSA-N	-1	0	270.354	0.626	20	30		CCEDRM
Cn1nc(C(C)(C)C)cc1C(=O)[N-]S(=O)(=O)CCC#N	ZINC000821582217	641610212	/nfs/dbraw/zinc/61/02/12/641610212.db2.gz	HCUOHHORLKVAPU-UHFFFAOYSA-N	-1	0	298.368	0.691	20	30		CCEDRM
Cc1cccc(CC(=O)[N-]S(=O)(=O)CCC#N)c1	ZINC000821582593	641611511	/nfs/dbraw/zinc/61/15/11/641611511.db2.gz	REWQBWRMYFBSEG-UHFFFAOYSA-N	-1	0	266.322	0.897	20	30		CCEDRM
Cc1cc(C(=O)[N-]S(=O)(=O)CCC#N)c(C)o1	ZINC000821584135	641611780	/nfs/dbraw/zinc/61/17/80/641611780.db2.gz	SJGRDKIGWDFRRY-UHFFFAOYSA-N	-1	0	256.283	0.870	20	30		CCEDRM
C[C@@H](CC(=O)N[C@]1(C#N)CCSC1)NC(=O)[O-]	ZINC000824615201	641834236	/nfs/dbraw/zinc/83/42/36/641834236.db2.gz	RRXZHMXBTQRHNH-XVKPBYJWSA-N	-1	0	257.315	0.548	20	30		CCEDRM
C[C@H](CN(C)C(=O)[O-])C(=O)N[C@@]1(C#N)CCSC1	ZINC000824848328	641849017	/nfs/dbraw/zinc/84/90/17/641849017.db2.gz	NOQLNZURHFJIQL-LDYMZIIASA-N	-1	0	271.342	0.748	20	30		CCEDRM
Cc1cc(Cn2cnc(-c3nnn[n-]3)c2C#N)no1	ZINC000826268430	641921850	/nfs/dbraw/zinc/92/18/50/641921850.db2.gz	WQBIQPQJKRNFCW-UHFFFAOYSA-N	-1	0	256.229	0.280	20	30		CCEDRM
N#Cc1c(-c2nnn[n-]2)ncn1Cc1ccc(C#N)cc1F	ZINC000826385616	641932195	/nfs/dbraw/zinc/93/21/95/641932195.db2.gz	UIRNKXOHENXRPW-UHFFFAOYSA-N	-1	0	294.253	0.994	20	30		CCEDRM
C[C@@H](C1CC1)N(C(=O)CN(CC#N)CC(=O)[O-])C1CC1	ZINC000827213979	641989594	/nfs/dbraw/zinc/98/95/94/641989594.db2.gz	VPVPPOUWOXVNFF-JTQLQIEISA-N	-1	0	279.340	0.686	20	30		CCEDRM
C#C[C@@H](NC(=O)c1ccc2oc(=O)nc-2[n-]1)[C@H]1CCCO1	ZINC000832416809	642479030	/nfs/dbraw/zinc/47/90/30/642479030.db2.gz	AJYTXUDNZUEBRS-PSASIEDQSA-N	-1	0	287.275	0.839	20	30		CCEDRM
N#CCCCS(=O)(=O)N1CCC(C#CC(=O)[O-])CC1	ZINC000844821161	643250759	/nfs/dbraw/zinc/25/07/59/643250759.db2.gz	LOJLWUWHMCUFRJ-UHFFFAOYSA-N	-1	0	284.337	0.420	20	30		CCEDRM
O=C(N[C@@H]1CCCN(O)C1=O)c1cc([O-])cc([N+](=O)[O-])c1	ZINC000848137083	643608022	/nfs/dbraw/zinc/60/80/22/643608022.db2.gz	YFWKTGPFXYBHKL-SNVBAGLBSA-N	-1	0	295.251	0.410	20	30		CCEDRM
C[C@H](CNC(=O)NCCNc1ncccc1C#N)C(=O)[O-]	ZINC000848576281	643653085	/nfs/dbraw/zinc/65/30/85/643653085.db2.gz	LUEZCBNUPZNCMU-SECBINFHSA-N	-1	0	291.311	0.385	20	30		CCEDRM
Cc1sc(C(=O)[O-])cc1S(=O)(=O)NCCC#N	ZINC000109420306	643807061	/nfs/dbraw/zinc/80/70/61/643807061.db2.gz	AQWHRDSNDZHIHG-UHFFFAOYSA-N	-1	0	274.323	0.947	20	30		CCEDRM
C[C@H](CC#N)C(=O)[N-]S(=O)(=O)c1cccnc1	ZINC000850736919	643810160	/nfs/dbraw/zinc/81/01/60/643810160.db2.gz	LOTCFYRRUXYFFA-MRVPVSSYSA-N	-1	0	253.283	0.436	20	30		CCEDRM
N#CC(C(=O)NC1CCCC1)=C([O-])c1ccn2nnnc2c1	ZINC000850767687	643811928	/nfs/dbraw/zinc/81/19/28/643811928.db2.gz	FTRPNHCSHKLXRQ-LLVKDONJSA-N	-1	0	298.306	0.506	20	30		CCEDRM
C[C@@H](CC#N)C(=O)[N-]S(=O)(=O)C[C@@H]1CCCO1	ZINC000850938518	643822901	/nfs/dbraw/zinc/82/29/01/643822901.db2.gz	YWPDBRWDUVZNON-IUCAKERBSA-N	-1	0	260.315	0.161	20	30		CCEDRM
C[C@H](CC#N)C(=O)[N-]S(=O)(=O)C[C@@H]1CCCOC1	ZINC000851016899	643826663	/nfs/dbraw/zinc/82/66/63/643826663.db2.gz	JRZZJKJZCSZZFS-NXEZZACHSA-N	-1	0	274.342	0.409	20	30		CCEDRM
C[C@H](CC#N)C(=O)[N-]S(=O)(=O)c1ccc(F)cn1	ZINC000851075651	643830594	/nfs/dbraw/zinc/83/05/94/643830594.db2.gz	ACEMEFRTPGVWTH-SSDOTTSWSA-N	-1	0	271.273	0.575	20	30		CCEDRM
N#Cc1ccc(C(=O)NOCCN2CCCC2=O)cc1[O-]	ZINC000856042806	644384761	/nfs/dbraw/zinc/38/47/61/644384761.db2.gz	HMWFLGODPQBDMY-UHFFFAOYSA-N	-1	0	289.291	0.548	20	30		CCEDRM
Cn1ccnc1C([O-])=C(C#N)C(=O)COCC(F)F	ZINC000860613010	644816200	/nfs/dbraw/zinc/81/62/00/644816200.db2.gz	QHUITOALBGHREH-ZETCQYMHSA-N	-1	0	271.223	0.593	20	30		CCEDRM
CC#CCS(=O)(=O)[N-]C(=O)c1nn(C)cc1Cl	ZINC000860720962	644823844	/nfs/dbraw/zinc/82/38/44/644823844.db2.gz	TYGYAAMWXWLKAQ-UHFFFAOYSA-N	-1	0	275.717	0.156	20	30		CCEDRM
N#CC1(CC(=O)[N-]S(=O)(=O)C2(C(F)F)CC2)CC1	ZINC000861160087	644862951	/nfs/dbraw/zinc/86/29/51/644862951.db2.gz	GUPMHNUFRRDDEU-UHFFFAOYSA-N	-1	0	278.280	0.924	20	30		CCEDRM
Cn1ncc2c1nc(N=NC1C[N@@H+]3C[C@@H]1CCC3)[n-]c2=O	ZINC000863094854	645060302	/nfs/dbraw/zinc/06/03/02/645060302.db2.gz	VOYDDLPGUCNFMG-QMMMGPOBSA-N	-1	0	287.327	0.562	20	30		CCEDRM
C[C@@H]1C(N=NC2=NCC(=O)N2)CC[C@H](C(=O)[O-])C1(C)C	ZINC000863177263	645067005	/nfs/dbraw/zinc/06/70/05/645067005.db2.gz	LPEWHLBIDWQOKW-HTQZYQBOSA-N	-1	0	280.328	0.575	20	30		CCEDRM
CC(=O)C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)[O-]	ZINC000863411441	645093193	/nfs/dbraw/zinc/09/31/93/645093193.db2.gz	YAXOJBYLXWVIEV-LLVKDONJSA-N	-1	0	296.304	0.269	20	30		CCEDRM
C[C@H](C(=O)N[C@H]1CCCN(O)C1=O)c1ccncc1	ZINC000868562201	645786516	/nfs/dbraw/zinc/78/65/16/645786516.db2.gz	DJSCJEDQENSIGR-ONGXEEELSA-N	-1	0	263.297	0.682	20	30		CCEDRM
N#CC1(C(=O)[N-]OCCN2CCCC2=O)CC2(CC2)C1	ZINC000869283595	645868226	/nfs/dbraw/zinc/86/82/26/645868226.db2.gz	RBLWFXQLQOZPFI-UHFFFAOYSA-N	-1	0	277.324	0.741	20	30		CCEDRM
O=C([O-])CNN=Cc1ccc(C(=O)N2CCCC2)cc1	ZINC000872378020	646253323	/nfs/dbraw/zinc/25/33/23/646253323.db2.gz	RMZKARZJZQRHFD-UHFFFAOYSA-N	-1	0	275.308	0.931	20	30		CCEDRM
N#CCCc1cn(CC(=O)[N-]OCc2ccccc2)nn1	ZINC000881052968	647278943	/nfs/dbraw/zinc/27/89/43/647278943.db2.gz	RNBUNOCHVPMYFX-UHFFFAOYSA-N	-1	0	285.307	0.982	20	30		CCEDRM
Cn1ccnc1C([O-])=C(C#N)C(=O)[C@H]1CCCCO1	ZINC000132668365	647557802	/nfs/dbraw/zinc/55/78/02/647557802.db2.gz	PMDUQXXWNXIBNF-VHSXEESVSA-N	-1	0	261.281	0.881	20	30		CCEDRM
COC[C@@H](/N=C/c1cc([N+](=O)[O-])ccc1[O-])C(N)=O	ZINC000132971355	647571983	/nfs/dbraw/zinc/57/19/83/647571983.db2.gz	LTQSTOHFHGUNNE-ACJFOYDFSA-N	-1	0	267.241	0.220	20	30		CCEDRM
C=CCCC(=O)[N-]S(=O)(=O)c1ncccc1F	ZINC000190369936	649445089	/nfs/dbraw/zinc/44/50/89/649445089.db2.gz	AODIIRSWANYVCD-UHFFFAOYSA-N	-1	0	258.274	0.992	20	30		CCEDRM
COCCNC(=O)C(C#N)=C([O-])c1cc(C)oc1C	ZINC000193412736	649537032	/nfs/dbraw/zinc/53/70/32/649537032.db2.gz	TXYYJHUOHHMTSU-LLVKDONJSA-N	-1	0	264.281	0.982	20	30		CCEDRM
N#CCSCC(=O)[N-]S(=O)(=O)CCc1ccccc1	ZINC000195077790	649591059	/nfs/dbraw/zinc/59/10/59/649591059.db2.gz	BULKIWXWHQHQLY-UHFFFAOYSA-N	-1	0	298.389	0.932	20	30		CCEDRM
CS(=O)(=O)[N-]C(=O)c1ccc(-n2ccnn2)cc1	ZINC000089963968	649665911	/nfs/dbraw/zinc/66/59/11/649665911.db2.gz	GOVDXPNCWBFMSH-UHFFFAOYSA-N	-1	0	266.282	0.532	20	30		CCEDRM
C=CCN(CC(=O)[O-])C(=O)Cc1c(C)n[nH]c1C	ZINC000092462063	649723768	/nfs/dbraw/zinc/72/37/68/649723768.db2.gz	JAWFLKMFSAQDEX-UHFFFAOYSA-N	-1	0	251.286	0.668	20	30		CCEDRM
C[C@H](CNC(=O)N[C@@H](CC#N)C(F)(F)F)C(=O)[O-]	ZINC001589050545	955655728	/nfs/dbraw/zinc/65/57/28/955655728.db2.gz	FZYKHNNVBGKNNW-RITPCOANSA-N	-1	0	267.207	0.851	20	30		CCEDRM
N#Cc1ccccc1S(=O)(=O)N[C@H]1C[C@@H](C(=O)[O-])C1	ZINC000693419048	791233998	/nfs/dbraw/zinc/23/39/98/791233998.db2.gz	RSTFOFXXTAUGLE-AOOOYVTPSA-N	-1	0	280.305	0.700	20	30		CCEDRM
N#Cc1cnc2nc(Cl)ccc2c1N[C@@H]1CO[N-]C1=O	ZINC001167511020	791497045	/nfs/dbraw/zinc/49/70/45/791497045.db2.gz	MZCBVJBYCQXXKD-MRVPVSSYSA-N	-1	0	289.682	0.997	20	30		CCEDRM
N#Cc1cc2cccnc2nc1N[C@@H]1CO[N-]C1=O	ZINC001167514257	791501174	/nfs/dbraw/zinc/50/11/74/791501174.db2.gz	VLQQVSMBZOOEFX-SECBINFHSA-N	-1	0	255.237	0.343	20	30		CCEDRM
C=C(C)C(=O)OC[C@@H](C)Oc1[nH]c(=O)nc2cn[n-]c21	ZINC001233940203	806152750	/nfs/dbraw/zinc/15/27/50/806152750.db2.gz	SYPPIFNSZOEZLC-SSDOTTSWSA-N	-1	0	278.268	0.533	20	30		CCEDRM
N#Cc1cc2ccc(OC(=O)[C@H](O)CC(=O)[O-])cc2[nH]1	ZINC001233996030	806164494	/nfs/dbraw/zinc/16/44/94/806164494.db2.gz	HQNDGOUDQZBYAG-LLVKDONJSA-N	-1	0	274.232	0.781	20	30		CCEDRM
COCCCCCNc1[n-]c(=O)n(C)c(=O)c1C#N	ZINC001120890509	798955893	/nfs/dbraw/zinc/95/58/93/798955893.db2.gz	UZYHSBLUNRMQMG-UHFFFAOYSA-N	-1	0	266.301	0.174	20	30		CCEDRM
COCCNC(=O)C(C#N)=C([O-])c1cc2cccn2cn1	ZINC001122447156	799237197	/nfs/dbraw/zinc/23/71/97/799237197.db2.gz	AIJVNQOCMPWKBM-NSHDSACASA-N	-1	0	286.291	0.419	20	30		CCEDRM
Cn1ccnc1C([O-])=C(C#N)C(=O)CCN1CCCC1=O	ZINC001122632173	799277888	/nfs/dbraw/zinc/27/78/88/799277888.db2.gz	QYLONGCKLSUPDA-SNVBAGLBSA-N	-1	0	288.307	0.324	20	30		CCEDRM
C=CCC[C@@H](NC(=O)[C@@H]1[C@H]2CCCO[C@H]21)C(=O)[O-]	ZINC001123379283	799400449	/nfs/dbraw/zinc/40/04/49/799400449.db2.gz	UBTLVSSGOLEIJE-GWOFURMSSA-N	-1	0	253.298	0.947	20	30		CCEDRM
N#C[C@@]1(C(=O)NCCc2n[n-]c(=S)o2)CCCOC1	ZINC001138526010	799737895	/nfs/dbraw/zinc/73/78/95/799737895.db2.gz	WVDBSLPNJVBJLM-NSHDSACASA-N	-1	0	282.325	0.337	20	30		CCEDRM
O=C(N[C@H]1CCN(O)C1=O)c1cc(-c2ccccn2)no1	ZINC001141380510	800003843	/nfs/dbraw/zinc/00/38/43/800003843.db2.gz	SBAZZYZJKYXJIG-VIFPVBQESA-N	-1	0	288.263	0.457	20	30		CCEDRM
O=C(C#Cc1ccccc1)N[C@H]1SC(=O)[N-]C1=O	ZINC001142861356	800167706	/nfs/dbraw/zinc/16/77/06/800167706.db2.gz	LKGNUTFUERCXIP-NSHDSACASA-N	-1	0	260.274	0.463	20	30		CCEDRM
C=CCNc1ncc(C(=O)N(C)c2nnn[n-]2)s1	ZINC001149219926	800238041	/nfs/dbraw/zinc/23/80/41/800238041.db2.gz	JPDAFJQKJLSZAB-UHFFFAOYSA-N	-1	0	265.302	0.531	20	30		CCEDRM
CCN(CC#N)[C@H](C)CNC(=O)c1[nH]nc(C)c1[O-]	ZINC001152781899	800555585	/nfs/dbraw/zinc/55/55/85/800555585.db2.gz	JYUUHAHWNRXPPP-MRVPVSSYSA-N	-1	0	265.317	0.388	20	30		CCEDRM
Cc1ncc(C#N)c(NCC[N-]C(=O)C(F)(F)F)n1	ZINC001156200674	801127440	/nfs/dbraw/zinc/12/74/40/801127440.db2.gz	XINXXHSSMSHQQX-UHFFFAOYSA-N	-1	0	273.218	0.169	20	30		CCEDRM
N#Cc1cc(N[C@@H]2CO[N-]C2=O)nc2ccc([N+](=O)[O-])cc12	ZINC001156696499	801214311	/nfs/dbraw/zinc/21/43/11/801214311.db2.gz	HDODXWZTDDEXPS-LLVKDONJSA-N	-1	0	299.246	0.857	20	30		CCEDRM
COC(=O)n1ncc(C#N)c1[N-]c1nccc(C(N)=O)n1	ZINC001158966731	801729788	/nfs/dbraw/zinc/72/97/88/801729788.db2.gz	AQWXEYHIYFCZAD-UHFFFAOYSA-N	-1	0	287.239	0.002	20	30		CCEDRM
C#C[C@@H](CO)NC(=O)c1nn(-c2ccc(F)cc2)cc1[O-]	ZINC001159762169	801864837	/nfs/dbraw/zinc/86/48/37/801864837.db2.gz	MBBDBIVMNGGMSG-JTQLQIEISA-N	-1	0	289.266	0.441	20	30		CCEDRM
C=CCS(=O)(=O)[N-]c1cnc(C(=O)OC)cn1	ZINC001259922173	808803882	/nfs/dbraw/zinc/80/38/82/808803882.db2.gz	OVXZTIAVHYHGSC-UHFFFAOYSA-N	-1	0	257.271	0.191	20	30		CCEDRM
COCCS(=O)(=O)[N-]c1cc(C)cnc1C#N	ZINC001259966337	808829759	/nfs/dbraw/zinc/82/97/59/808829759.db2.gz	XONRYNBNGQBOEA-UHFFFAOYSA-N	-1	0	255.299	0.650	20	30		CCEDRM
N#Cc1nc(NC(=O)[C@@H](O)c2ccccc2)[n-]c1C#N	ZINC001163736498	802601547	/nfs/dbraw/zinc/60/15/47/802601547.db2.gz	ADIRSUZUOBWOTI-NSHDSACASA-N	-1	0	267.248	0.825	20	30		CCEDRM
Nc1nonc1C(=Nc1ccc([O-])c(F)c1F)NO	ZINC001211997952	814970715	/nfs/dbraw/zinc/97/07/15/814970715.db2.gz	UGIPUAFVWBRBFQ-UHFFFAOYSA-N	-1	0	271.183	0.693	20	30		CCEDRM
C=CCOC[C@@H](CS(=O)(=O)[O-])Oc1nnccc1C#N	ZINC001229606610	814971859	/nfs/dbraw/zinc/97/18/59/814971859.db2.gz	IGJMZZTXWJPFPU-JTQLQIEISA-N	-1	0	299.308	0.186	20	30		CCEDRM
C=C(Cl)CNS(=O)(=O)[C@@H]1CCC[C@@H]1C(=O)[O-]	ZINC001465107068	804085559	/nfs/dbraw/zinc/08/55/59/804085559.db2.gz	LIBDPZBEKGYVIX-JGVFFNPUSA-N	-1	0	267.734	0.912	20	30		CCEDRM
C=CCCOCCNS(=O)(=O)[C@H]1CCC[C@@H]1C(=O)[O-]	ZINC001465108005	804094985	/nfs/dbraw/zinc/09/49/85/804094985.db2.gz	WOZIWBKGULNRMP-QWRGUYRKSA-N	-1	0	291.369	0.752	20	30		CCEDRM
C=CCC[C@@H](NC(=O)[C@H](C)n1cncn1)C(=O)[O-]	ZINC000315705420	804641080	/nfs/dbraw/zinc/64/10/80/804641080.db2.gz	FQCPBHGUEUJCPP-DTWKUNHWSA-N	-1	0	252.274	0.375	20	30		CCEDRM
C=CCC[C@@H](NC(=O)c1cncc(O)c1)C(=O)[O-]	ZINC000316612910	804712059	/nfs/dbraw/zinc/71/20/59/804712059.db2.gz	LMXDRYUWPJPOBD-SNVBAGLBSA-N	-1	0	250.254	0.936	20	30		CCEDRM
O=S1(=O)CC(O/C(=N\[O-])c2cc(F)ccc2F)C1	ZINC001223890840	804996080	/nfs/dbraw/zinc/99/60/80/804996080.db2.gz	YYXLPENCTGKGJO-RAXLEYEMSA-N	-1	0	277.248	0.914	20	30		CCEDRM
N#Cc1ccc2nc(COC(=O)[C@@H](O)CC(=O)[O-])cn2c1	ZINC001224037258	805004032	/nfs/dbraw/zinc/00/40/32/805004032.db2.gz	OKMWJCVFTGHLRE-JTQLQIEISA-N	-1	0	289.247	0.085	20	30		CCEDRM
C=C[C@@]1(C)CC[C@H](C(C)(C)Oc2c([O-])c(=O)c(=O)c2=O)O1	ZINC001225829741	805166889	/nfs/dbraw/zinc/16/68/89/805166889.db2.gz	BCMRMMGVAPDUHF-GLEZIHRCSA-N	-1	0	294.303	0.630	20	30		CCEDRM
C=C[C@@H](CCCCC)Oc1c([O-])c(=O)c(=O)c1=O	ZINC001225832112	805168226	/nfs/dbraw/zinc/16/82/26/805168226.db2.gz	CJUALCIOUACXAP-QMMMGPOBSA-N	-1	0	252.266	0.862	20	30		CCEDRM
C#C[C@@H](CCCCC)Oc1c([O-])c(=O)c(=O)c1=O	ZINC001225834676	805169888	/nfs/dbraw/zinc/16/98/88/805169888.db2.gz	WPNFWXMCOWBPDX-QMMMGPOBSA-N	-1	0	250.250	0.309	20	30		CCEDRM
N#Cc1cc(F)c(=O)[n-]c1OC[C@H]1COC(=O)O1	ZINC001226014390	805186280	/nfs/dbraw/zinc/18/62/80/805186280.db2.gz	WLJIUMVJCMBLNK-LURJTMIESA-N	-1	0	254.173	0.712	20	30		CCEDRM
N#CCCCNC(=O)N1CCC[C@@H](c2n[nH]c(=O)[n-]2)C1	ZINC001226132662	805196959	/nfs/dbraw/zinc/19/69/59/805196959.db2.gz	IXDFPBWJJZIYGR-SECBINFHSA-N	-1	0	278.316	0.703	20	30		CCEDRM
Cc1cc(=O)[n-]c(O[C@@H]2CCS(=O)(=O)C2)c1C#N	ZINC001226220977	805206500	/nfs/dbraw/zinc/20/65/00/805206500.db2.gz	DQSYPJZTTYHZSQ-MRVPVSSYSA-N	-1	0	268.294	0.533	20	30		CCEDRM
C#C[C@@H](Oc1[n-]c(=O)nc2cnncc21)C(=O)OCC	ZINC001226690753	805265858	/nfs/dbraw/zinc/26/58/58/805265858.db2.gz	HXPDZPYVNREUTI-SECBINFHSA-N	-1	0	274.236	0.069	20	30		CCEDRM
C=C[C@@H](Oc1[n-]c(=O)nc2cnccc21)C(=O)OC	ZINC001226975884	805301222	/nfs/dbraw/zinc/30/12/22/805301222.db2.gz	DIBPNSBDHOOSLB-SECBINFHSA-N	-1	0	261.237	0.425	20	30		CCEDRM
C#C[C@H](Oc1[n-]c(=O)nc2nccnc21)C(=O)OCC	ZINC001226988953	805302551	/nfs/dbraw/zinc/30/25/51/805302551.db2.gz	CPDZXWOGMLMXOT-ZETCQYMHSA-N	-1	0	274.236	0.069	20	30		CCEDRM
C#C[C@H](Oc1[n-]c(=O)nc2ncsc21)C(=O)OCC	ZINC001227610948	805372247	/nfs/dbraw/zinc/37/22/47/805372247.db2.gz	NGRBRRHTVYNAFD-LURJTMIESA-N	-1	0	279.277	0.736	20	30		CCEDRM
N#Cc1ccc(NC(=S)N[C@@H]2CO[N-]C2=O)cc1	ZINC001245934916	807101613	/nfs/dbraw/zinc/10/16/13/807101613.db2.gz	MPPQVJZDFYWBHN-SECBINFHSA-N	-1	0	262.294	0.275	20	30		CCEDRM
C=CCCCNC(=S)NCC(=O)CCC(=O)[O-]	ZINC001247780484	807489471	/nfs/dbraw/zinc/48/94/71/807489471.db2.gz	YQFPYPCGLRKQQI-UHFFFAOYSA-N	-1	0	258.343	0.851	20	30		CCEDRM
COC(=O)c1scc(C#N)c1[N-]S(C)(=O)=O	ZINC001252635241	807924932	/nfs/dbraw/zinc/92/49/32/807924932.db2.gz	MKFLXKNDHVHIEG-UHFFFAOYSA-N	-1	0	260.296	0.778	20	30		CCEDRM
Cn1cc([N-]S(=O)(=O)CC(F)(F)F)c(C#N)n1	ZINC001253118908	808006683	/nfs/dbraw/zinc/00/66/83/808006683.db2.gz	WFJSVSBFIPAEPL-UHFFFAOYSA-N	-1	0	268.220	0.596	20	30		CCEDRM
CCS(=O)(=O)[N-]c1c(C#N)cnn1-c1ncccn1	ZINC001253277774	808039991	/nfs/dbraw/zinc/03/99/91/808039991.db2.gz	QLXRDQGZGXRTJF-UHFFFAOYSA-N	-1	0	278.297	0.296	20	30		CCEDRM
C#CC[S@](=O)Cc1cn([C@H](C(=O)[O-])[C@@H](C)CC)nn1	ZINC001254088789	808179351	/nfs/dbraw/zinc/17/93/51/808179351.db2.gz	KBHADFOOCHBPSL-KKRWKGTOSA-N	-1	0	283.353	0.832	20	30		CCEDRM
C=C[C@@H](COC)NC(=O)c1ccccc1[N-]S(C)(=O)=O	ZINC001255040315	808311276	/nfs/dbraw/zinc/31/12/76/808311276.db2.gz	AFNLXNRALKAWII-JTQLQIEISA-N	-1	0	298.364	0.989	20	30		CCEDRM
N#Cc1ccccc1S(=O)(=O)[N-]c1cc2n(n1)CCO2	ZINC001258214802	808665977	/nfs/dbraw/zinc/66/59/77/808665977.db2.gz	RGPQREMLQIDWEX-UHFFFAOYSA-N	-1	0	290.304	0.948	20	30		CCEDRM
C#Cc1cc([N-]S(=O)(=O)c2c(C)noc2C)ccn1	ZINC001258506769	808692355	/nfs/dbraw/zinc/69/23/55/808692355.db2.gz	ZBWPNDWIQQUJJK-UHFFFAOYSA-N	-1	0	277.305	0.890	20	30		CCEDRM
COC(=O)CS(=O)(=O)[N-]c1csc(C#N)c1	ZINC001259020483	808707193	/nfs/dbraw/zinc/70/71/93/808707193.db2.gz	VUXNCDGCOKMXGB-UHFFFAOYSA-N	-1	0	260.296	0.534	20	30		CCEDRM
COC(=O)CS(=O)(=O)[N-]c1cc(C)cnc1C#N	ZINC001259018967	808707299	/nfs/dbraw/zinc/70/72/99/808707299.db2.gz	MWJUOQJHCUSHPU-UHFFFAOYSA-N	-1	0	269.282	0.176	20	30		CCEDRM
CCOC(=O)[C@@H](C#N)[N-]S(=O)(=O)CC1CCCCC1	ZINC001259622116	808766399	/nfs/dbraw/zinc/76/63/99/808766399.db2.gz	RQVHNOLGJDNYKT-LLVKDONJSA-N	-1	0	288.369	0.941	20	30		CCEDRM
Cc1cnc([N-]S(=O)(=O)c2cnn(C)c2)c(C#N)c1	ZINC001259821339	808777328	/nfs/dbraw/zinc/77/73/28/808777328.db2.gz	TZMVHDKNQIRZOA-UHFFFAOYSA-N	-1	0	277.309	0.796	20	30		CCEDRM
Cn1cc(S(=O)(=O)[N-]c2c(O)cccc2C#N)cn1	ZINC001259826794	808779629	/nfs/dbraw/zinc/77/96/29/808779629.db2.gz	PNHZSQWMDLNKLZ-UHFFFAOYSA-N	-1	0	278.293	0.798	20	30		CCEDRM
CCn1cc(S(=O)(=O)[N-]c2ccc(C#N)nc2)cn1	ZINC001259832688	808782125	/nfs/dbraw/zinc/78/21/25/808782125.db2.gz	RRSKETUHCLJOEE-UHFFFAOYSA-N	-1	0	277.309	0.970	20	30		CCEDRM
Cc1noc([N-]S(=O)(=O)C2CCOCC2)c1C#N	ZINC001259907176	808796753	/nfs/dbraw/zinc/79/67/53/808796753.db2.gz	FBIUNXBKHWJVBR-UHFFFAOYSA-N	-1	0	271.298	0.775	20	30		CCEDRM
C#CCCC[N-]S(=O)(=O)c1nc2nc(Cl)ccn2n1	ZINC001260176869	808855150	/nfs/dbraw/zinc/85/51/50/808855150.db2.gz	YQRCIMMSDUNEOG-UHFFFAOYSA-N	-1	0	299.743	0.469	20	30		CCEDRM
C=CC[N-]S(=O)(=O)c1nc2nc(Cl)ccn2n1	ZINC001260179152	808855352	/nfs/dbraw/zinc/85/53/52/808855352.db2.gz	CYLVPQABCBSATK-UHFFFAOYSA-N	-1	0	273.705	0.242	20	30		CCEDRM
Cc1nc(S(=O)(=O)[N-]c2ncc(C#N)nc2C)cn1C	ZINC001260542773	808862575	/nfs/dbraw/zinc/86/25/75/808862575.db2.gz	OUHVWERCKQFBLO-UHFFFAOYSA-N	-1	0	292.324	0.499	20	30		CCEDRM
Cc1n[nH]c(C)c1S(=O)(=O)[N-]c1c(C#N)ncn1C	ZINC001261023937	808898657	/nfs/dbraw/zinc/89/86/57/808898657.db2.gz	JMNDFOKUGNNVTM-UHFFFAOYSA-N	-1	0	280.313	0.433	20	30		CCEDRM
C=C[C@H](C)O[N-]C(=O)C(=O)Nc1cc(CCOC)nn1C	ZINC001261515181	809005365	/nfs/dbraw/zinc/00/53/65/809005365.db2.gz	YVZPRZLEVHTJBV-VIFPVBQESA-N	-1	0	296.327	0.170	20	30		CCEDRM
C=CCO[C@@H]1CCN(C(=O)C[C@@]2(C(=O)[O-])CCOC2)C1	ZINC001261901319	809125251	/nfs/dbraw/zinc/12/52/51/809125251.db2.gz	UUAOYZHYUSLXBG-RISCZKNCSA-N	-1	0	283.324	0.671	20	30		CCEDRM
C=C(CC)CNC(=O)C(=O)N1CC[C@](COC)(C(=O)[O-])C1	ZINC001262054438	809174953	/nfs/dbraw/zinc/17/49/53/809174953.db2.gz	HAXIPVYMHGCKGV-AWEZNQCLSA-N	-1	0	298.339	0.019	20	30		CCEDRM
COCC(C)(C)CNc1[n-]c(=O)n(C)c(=O)c1C#N	ZINC001262697488	809398637	/nfs/dbraw/zinc/39/86/37/809398637.db2.gz	PKNGORNEBUYPQM-UHFFFAOYSA-N	-1	0	266.301	0.030	20	30		CCEDRM
Cn1ccnc1C([O-])=C(C#N)C(=O)c1cc2n(n1)CCCO2	ZINC001263380926	809515080	/nfs/dbraw/zinc/51/50/80/809515080.db2.gz	FKBVYPMRMKZUON-VIFPVBQESA-N	-1	0	299.290	0.604	20	30		CCEDRM
C=CCOC[C@@H](CS(=O)(=O)[O-])OC[C@H]1CCCOC1	ZINC001224648664	815397803	/nfs/dbraw/zinc/39/78/03/815397803.db2.gz	CYNOUPVIGNMCGY-RYUDHWBXSA-N	-1	0	294.369	0.889	20	30		CCEDRM
Cc1ccc(C#N)c(N2CC[C@@H](NC(=O)c3cn[nH]n3)C2)n1	ZINC001058599555	811425520	/nfs/dbraw/zinc/42/55/20/811425520.db2.gz	TZVXGKJKDOEKFH-LLVKDONJSA-N	-1	0	297.322	0.389	20	30		CCEDRM
C=CCN(CC(=O)[O-])C(=O)N[C@@H]1C[C@@H](C)O[C@H]1C	ZINC000394990690	811641485	/nfs/dbraw/zinc/64/14/85/811641485.db2.gz	DULYJLNJKBINFW-KXUCPTDWSA-N	-1	0	256.302	0.835	20	30		CCEDRM
Cc1c(C#N)c([N-]S(=O)(=O)CC2(F)CC2)nn1C	ZINC000903640866	815471799	/nfs/dbraw/zinc/47/17/99/815471799.db2.gz	HFJPKBBTOUZQPV-UHFFFAOYSA-N	-1	0	272.305	0.844	20	30		CCEDRM
C=CCOC[C@@H](CS(=O)(=O)[O-])OCc1ccnn1C	ZINC001222711504	811978623	/nfs/dbraw/zinc/97/86/23/811978623.db2.gz	QUMCSQUWEVZSNM-NSHDSACASA-N	-1	0	290.341	0.396	20	30		CCEDRM
N#Cc1ccnnc1NC(=N)SCCS(=O)(=O)[O-]	ZINC001168089879	814619514	/nfs/dbraw/zinc/61/95/14/814619514.db2.gz	YJWYVJQETNBXFX-UHFFFAOYSA-N	-1	0	287.326	0.316	20	30		CCEDRM
C=CCN(CC(=O)[O-])C(=O)NCc1ncccn1	ZINC000702363869	819110560	/nfs/dbraw/zinc/11/05/60/819110560.db2.gz	NWIOTGFXEKWGCK-UHFFFAOYSA-N	-1	0	250.258	0.259	20	30		CCEDRM
C#CCO[N-]C(=O)COc1ccccc1[N+](=O)[O-]	ZINC000704329313	819374593	/nfs/dbraw/zinc/37/45/93/819374593.db2.gz	ANOITAGBJHREAT-UHFFFAOYSA-N	-1	0	250.210	0.655	20	30		CCEDRM
C=CCN(CC(=O)[O-])C(=O)NC[C@H]1C[C@@H](OC)C1	ZINC000708622009	819776423	/nfs/dbraw/zinc/77/64/23/819776423.db2.gz	LJELYUFPMRMUHP-AOOOYVTPSA-N	-1	0	256.302	0.694	20	30		CCEDRM
C#CCCCS(=O)(=O)[N-]c1nn(C)cc1C#N	ZINC000711158615	819974528	/nfs/dbraw/zinc/97/45/28/819974528.db2.gz	GMIZYAITWKERTA-UHFFFAOYSA-N	-1	0	252.299	0.447	20	30		CCEDRM
C#CCCN(CCOC)C(=O)c1c[n-]n2c1nccc2=O	ZINC001118738447	820851415	/nfs/dbraw/zinc/85/14/15/820851415.db2.gz	RTFUFLZPOGNPEZ-UHFFFAOYSA-N	-1	0	288.307	0.135	20	30		CCEDRM
C=CC[C@H](NC(=O)NCCC[C@H](C)CO)C(=O)[O-]	ZINC001119578288	821375475	/nfs/dbraw/zinc/37/54/75/821375475.db2.gz	UAURKTBYJHOMJG-UWVGGRQHSA-N	-1	0	258.318	0.724	20	30		CCEDRM
C#CCN1CC[C@]2(CCC[N@H+]2Cc2ncccc2O)C1=O	ZINC001273325735	821678989	/nfs/dbraw/zinc/67/89/89/821678989.db2.gz	QPGRBLHTJMOKHP-MRXNPFEDSA-N	-1	0	285.347	0.987	20	30		CCEDRM
CC#CCN1CC[C@H]1CN(C)C(=O)c1n[nH]c(C)c1[O-]	ZINC001085544187	821778523	/nfs/dbraw/zinc/77/85/23/821778523.db2.gz	MHAIWYWLNDSELG-NSHDSACASA-N	-1	0	276.340	0.593	20	30		CCEDRM
C=CCOc1cccnc1C(=O)[N-]n1ccc(=O)[nH]c1=O	ZINC001168869243	836027719	/nfs/dbraw/zinc/02/77/19/836027719.db2.gz	ONZPJBSAFOTACM-UHFFFAOYSA-N	-1	0	288.263	0.293	20	30		CCEDRM
COc1ccc(C(=Nc2ccc(C(=O)[O-])nn2)NO)nc1	ZINC001169599458	836371429	/nfs/dbraw/zinc/37/14/29/836371429.db2.gz	AYUJXRYRBYXDPV-UHFFFAOYSA-N	-1	0	289.251	0.636	20	30		CCEDRM
COC(=O)n1ncc(C#N)c1Nc1cncc(C(=O)[O-])n1	ZINC001169961830	836489316	/nfs/dbraw/zinc/48/93/16/836489316.db2.gz	BZMPOMXXMCLLIN-UHFFFAOYSA-N	-1	0	288.223	0.601	20	30		CCEDRM
C[C@@]1(CO)CCN(C(=O)CCC(=O)C2=CC=C[CH]2)C[C@H]1O	ZINC001184244660	844187466	/nfs/dbraw/zinc/18/74/66/844187466.db2.gz	KRSKUIAPROXZFV-ZBFHGGJFSA-N	-1	0	292.355	0.628	20	30		CCEDRM
N#CCNCCNC(=O)c1cc(=O)c2ccccc2[nH]1	ZINC001130990921	837965449	/nfs/dbraw/zinc/96/54/49/837965449.db2.gz	NJXGZJARJCYURX-UHFFFAOYSA-N	-1	0	270.292	0.371	20	30		CCEDRM
CC#CCS(=O)(=O)[N-]C(=O)C=C1CCSCC1	ZINC000810778300	838405735	/nfs/dbraw/zinc/40/57/35/838405735.db2.gz	SGWJEFJIEVYAFW-UHFFFAOYSA-N	-1	0	273.379	0.909	20	30		CCEDRM
N#Cc1cc([N-]c2ccn(CC(N)=O)n2)c([N+](=O)[O-])s1	ZINC001185242029	844370448	/nfs/dbraw/zinc/37/04/48/844370448.db2.gz	OZJFWOGSOZXKMT-UHFFFAOYSA-N	-1	0	292.280	0.953	20	30		CCEDRM
CC(C)(C)CCCNC(=O)Cn1cc(C#N)c(=O)[n-]c1=O	ZINC001136893470	839800876	/nfs/dbraw/zinc/80/08/76/839800876.db2.gz	XZGIDFWZGUVNCC-UHFFFAOYSA-N	-1	0	292.339	0.763	20	30		CCEDRM
Cc1ncc(C(=O)Nc2nc(C#N)c(C#N)[n-]2)c(C)n1	ZINC001143815579	839882454	/nfs/dbraw/zinc/88/24/54/839882454.db2.gz	ZTNDUZWORXTPDS-UHFFFAOYSA-N	-1	0	267.252	0.812	20	30		CCEDRM
Cc1ncc(CO)c(C(=O)Nc2cn(C)nc2C#N)c1[O-]	ZINC001147834713	840694997	/nfs/dbraw/zinc/69/49/97/840694997.db2.gz	YJPPXYTZJDDKAJ-UHFFFAOYSA-N	-1	0	287.279	0.445	20	30		CCEDRM
C=CCCS(=O)(=O)N[C@@H]1C=CC[C@@H](C(=O)[O-])C1	ZINC000714166517	841177606	/nfs/dbraw/zinc/17/76/06/841177606.db2.gz	ZYAVRROLPPDCJD-NXEZZACHSA-N	-1	0	259.327	0.901	20	30		CCEDRM
Cc1nnc([N-]c2nccnc2CN)c(C#N)c1C	ZINC001171440772	841617239	/nfs/dbraw/zinc/61/72/39/841617239.db2.gz	ICZAVZUJBRCYSI-UHFFFAOYSA-N	-1	0	255.285	0.957	20	30		CCEDRM
Cn1ncc2cc(NC(=N[O-])c3nonc3N)ccc21	ZINC001175417697	842249930	/nfs/dbraw/zinc/24/99/30/842249930.db2.gz	KRMJKRQJNSGZKK-UHFFFAOYSA-N	-1	0	273.256	0.786	20	30		CCEDRM
Nc1c2c(=O)nccc-2[n-]n1C(=O)C#Cc1ccccn1	ZINC001177806796	842684173	/nfs/dbraw/zinc/68/41/73/842684173.db2.gz	CIECLFBKWJFKGN-UHFFFAOYSA-N	-1	0	279.259	0.345	20	30		CCEDRM
N#C[C@H]1CNCCN1C(=O)Cc1ccc([S-])cc1	ZINC001183187646	843974387	/nfs/dbraw/zinc/97/43/87/843974387.db2.gz	KWJCNOHESBNICR-NSHDSACASA-N	-1	0	261.350	0.842	20	30		CCEDRM
COC(=O)n1ncc(C#N)c1NC(=O)c1cccnn1	ZINC001188679734	844947725	/nfs/dbraw/zinc/94/77/25/844947725.db2.gz	ZFJZLUHUIVMRTP-UHFFFAOYSA-N	-1	0	272.224	0.412	20	30		CCEDRM
O=S(=O)([N-]CCCS)c1ncc(F)cc1F	ZINC001190208551	845367021	/nfs/dbraw/zinc/36/70/21/845367021.db2.gz	KZWPINBXSJODRJ-UHFFFAOYSA-N	-1	0	268.310	0.958	20	30		CCEDRM
N#Cc1cccc(C(=O)N[C@@H]2SC(=O)[N-]C2=O)c1F	ZINC001190557781	845428753	/nfs/dbraw/zinc/42/87/53/845428753.db2.gz	WIKNTXRNVHVLBR-SNVBAGLBSA-N	-1	0	279.252	0.736	20	30		CCEDRM
C[C@@H](O)CNS(=O)(=O)c1cc(C#N)ccc1F	ZINC001190607762	845443872	/nfs/dbraw/zinc/44/38/72/845443872.db2.gz	AJKBCFAEYKXYJS-SSDOTTSWSA-N	-1	0	258.274	0.356	20	30		CCEDRM
C#Cc1cnc([N-]S(=O)(=O)c2ccncc2)c(C#C)n1	ZINC001190855803	845510663	/nfs/dbraw/zinc/51/06/63/845510663.db2.gz	QYUCAPJXFDORQY-UHFFFAOYSA-N	-1	0	284.300	0.635	20	30		CCEDRM
CCc1cc2ncc([N-]S(=O)(=O)CC#N)cn2n1	ZINC001192942899	845930031	/nfs/dbraw/zinc/93/00/31/845930031.db2.gz	FVZFOIFIASLVAL-UHFFFAOYSA-N	-1	0	265.298	0.557	20	30		CCEDRM
CC(C)(C)n1ncc(C#N)c1[N-]S(=O)(=O)CC#N	ZINC001192934695	845940156	/nfs/dbraw/zinc/94/01/56/845940156.db2.gz	CNTSKJKLZXUNPK-UHFFFAOYSA-N	-1	0	267.314	0.775	20	30		CCEDRM
CN1CCc2c(C#N)c([N-]S(=O)(=O)CC#N)sc2C1	ZINC001192935661	845941816	/nfs/dbraw/zinc/94/18/16/845941816.db2.gz	ZJFNFTYNWZALBW-UHFFFAOYSA-N	-1	0	296.377	0.873	20	30		CCEDRM
N#CCS(=O)(=O)[N-]c1cnn2ccc(Cl)nc12	ZINC001192939714	845942960	/nfs/dbraw/zinc/94/29/60/845942960.db2.gz	WRYIEMIFSUXORQ-UHFFFAOYSA-N	-1	0	271.689	0.648	20	30		CCEDRM
N#Cc1ccncc1C(=O)n1[n-]c2ccnc(=O)c-2c1N	ZINC001192981219	845943279	/nfs/dbraw/zinc/94/32/79/845943279.db2.gz	FRDMZWVNXDOPOL-UHFFFAOYSA-N	-1	0	280.247	0.214	20	30		CCEDRM
COC(=O)c1cc(C)c([N-]S(=O)(=O)CC#N)cn1	ZINC001192939481	845943580	/nfs/dbraw/zinc/94/35/80/845943580.db2.gz	QNJQSKDARMEBIR-UHFFFAOYSA-N	-1	0	269.282	0.442	20	30		CCEDRM
Cn1cnc2c1cccc2[N-]S(=O)(=O)CC#N	ZINC001192985944	845944577	/nfs/dbraw/zinc/94/45/77/845944577.db2.gz	PXAFPVIAVDCAAA-UHFFFAOYSA-N	-1	0	250.283	0.839	20	30		CCEDRM
COC(=O)c1nc2c(cccc2[N-]S(=O)(=O)CC#N)o1	ZINC001192988971	845948093	/nfs/dbraw/zinc/94/80/93/845948093.db2.gz	WBEGAYRSKCJHBE-UHFFFAOYSA-N	-1	0	295.276	0.880	20	30		CCEDRM
N#CCS(=O)(=O)[N-]c1ccc2c(c1)C(=O)NC2	ZINC001192972137	845957767	/nfs/dbraw/zinc/95/77/67/845957767.db2.gz	NFPCBAQCKRQLHO-UHFFFAOYSA-N	-1	0	251.267	0.195	20	30		CCEDRM
C[C@H](C#N)S(=O)(=O)[N-]c1c(Cl)nccc1C(N)=O	ZINC001193105223	845979399	/nfs/dbraw/zinc/97/93/99/845979399.db2.gz	SWDQZECHWMEAJG-RXMQYKEDSA-N	-1	0	288.716	0.488	20	30		CCEDRM
CC(=O)Nc1cncc([N-]S(=O)(=O)[C@@H](C)C#N)c1	ZINC001193111460	845980774	/nfs/dbraw/zinc/98/07/74/845980774.db2.gz	IAUYDZJSIHBEQH-ZETCQYMHSA-N	-1	0	268.298	0.694	20	30		CCEDRM
COc1cc(OC)c([N-]S(=O)(=O)[C@H](C)C#N)cn1	ZINC001193111152	845981160	/nfs/dbraw/zinc/98/11/60/845981160.db2.gz	COSNOYVYNVPOAD-SSDOTTSWSA-N	-1	0	271.298	0.753	20	30		CCEDRM
C[C@H](C#N)S(=O)(=O)[N-]c1cccnc1-n1cccn1	ZINC001193095100	845993033	/nfs/dbraw/zinc/99/30/33/845993033.db2.gz	PPGDUALWVWXBSH-SECBINFHSA-N	-1	0	277.309	0.921	20	30		CCEDRM
C[C@H](C#N)S(=O)(=O)[N-]c1cccc2c1OCC(=O)N2	ZINC001193147097	846005080	/nfs/dbraw/zinc/00/50/80/846005080.db2.gz	XLODGKUVNCSQJQ-SSDOTTSWSA-N	-1	0	281.293	0.671	20	30		CCEDRM
C[C@@H](C#N)S(=O)(=O)[N-]c1ccc2c(c1)NC(=O)C2=O	ZINC001193158974	846007648	/nfs/dbraw/zinc/00/76/48/846007648.db2.gz	XPMGVGQBPWCKTD-LURJTMIESA-N	-1	0	279.277	0.475	20	30		CCEDRM
C[C@H](C#N)S(=O)(=O)[N-]c1cccc2c1NC(=O)NC2	ZINC001193158966	846008871	/nfs/dbraw/zinc/00/88/71/846008871.db2.gz	XLEBAPUPVSKVNK-SSDOTTSWSA-N	-1	0	280.309	0.975	20	30		CCEDRM
C[C@@H](C#N)S(=O)(=O)[N-]c1cccc2c1CCN(C)C2=O	ZINC001193161110	846009502	/nfs/dbraw/zinc/00/95/02/846009502.db2.gz	LNRJTUWHSHDAEW-VIFPVBQESA-N	-1	0	293.348	0.968	20	30		CCEDRM
CCOC(=O)C1=C([N-]S(=O)(=O)[C@@H](C)C#N)[C@@H](C)OC1	ZINC001193168998	846011764	/nfs/dbraw/zinc/01/17/64/846011764.db2.gz	PSPNNRYIIFPWHH-JGVFFNPUSA-N	-1	0	288.325	0.054	20	30		CCEDRM
CN1C[C@H](CNC(=O)c2ccc([O-])c(C#N)c2)CC1=O	ZINC001193514240	846103109	/nfs/dbraw/zinc/10/31/09/846103109.db2.gz	DJVTVLMHDVZWHP-VIFPVBQESA-N	-1	0	273.292	0.472	20	30		CCEDRM
COc1ccnc(C(=O)Nc2[nH]cnc2C#N)c1[O-]	ZINC001193524811	846105210	/nfs/dbraw/zinc/10/52/10/846105210.db2.gz	MAHMEBJCXALBGL-UHFFFAOYSA-N	-1	0	259.225	0.643	20	30		CCEDRM
Cn1ccnc1S(=O)(=O)[N-]c1ccc(O)cc1C#N	ZINC001193598293	846136778	/nfs/dbraw/zinc/13/67/78/846136778.db2.gz	OYQPOYJQPZPXRQ-UHFFFAOYSA-N	-1	0	278.293	0.798	20	30		CCEDRM
CC1(C)C(=O)NC[C@@H]1NC(=O)c1cccc(C#N)c1[O-]	ZINC001193658878	846139615	/nfs/dbraw/zinc/13/96/15/846139615.db2.gz	FSTVTOFZYHJMLY-JTQLQIEISA-N	-1	0	273.292	0.518	20	30		CCEDRM
N#Cc1cccc(C(=O)N[C@@H](CO)C(F)(F)F)c1[O-]	ZINC001193657864	846140447	/nfs/dbraw/zinc/14/04/47/846140447.db2.gz	JFBCYOPNGOEQHO-QMMMGPOBSA-N	-1	0	274.198	0.917	20	30		CCEDRM
N#Cc1ccc(C(=O)NC2CC(CO)(CO)C2)c([O-])c1	ZINC001195764106	846613966	/nfs/dbraw/zinc/61/39/66/846613966.db2.gz	GQFIPUWVZBMNBI-UHFFFAOYSA-N	-1	0	276.292	0.127	20	30		CCEDRM
CCOC(=O)CS(=O)(=O)[N-]c1cnc(C#N)c(C)c1	ZINC001195942475	846646105	/nfs/dbraw/zinc/64/61/05/846646105.db2.gz	NRUIRKMTUYCQLL-UHFFFAOYSA-N	-1	0	283.309	0.567	20	30		CCEDRM
N#Cc1ccnnc1[N-]S(=O)(=O)Cc1cccnc1	ZINC001197430399	846909732	/nfs/dbraw/zinc/90/97/32/846909732.db2.gz	LXXWEHYYBSHHFM-UHFFFAOYSA-N	-1	0	275.293	0.685	20	30		CCEDRM
N#Cc1cccc(NC(=S)NCS(=O)(=O)[O-])c1	ZINC001197732906	846956518	/nfs/dbraw/zinc/95/65/18/846956518.db2.gz	CZFUXPWLXGVBJT-UHFFFAOYSA-N	-1	0	271.323	0.690	20	30		CCEDRM
Cc1ncc(S(=O)(=O)[N-]c2cc(C#N)ccn2)n1C	ZINC001198343206	847091234	/nfs/dbraw/zinc/09/12/34/847091234.db2.gz	CHRQPUWCSWUKJP-UHFFFAOYSA-N	-1	0	277.309	0.796	20	30		CCEDRM
COC(=O)CCCS(=O)(=O)[N-]c1oncc1C#N	ZINC001201904939	847831239	/nfs/dbraw/zinc/83/12/39/847831239.db2.gz	AUHWSKBWDJJLOS-UHFFFAOYSA-N	-1	0	273.270	0.241	20	30		CCEDRM
N=C(c1nonc1N)N([O-])C(=O)c1nc2ccccc2o1	ZINC001153572544	848032547	/nfs/dbraw/zinc/03/25/47/848032547.db2.gz	ZNLLSSKKXKBLOJ-UHFFFAOYSA-N	-1	0	288.223	0.650	20	30		CCEDRM
C#CC[C@@H](CO)[N-]S(=O)(=O)c1c(F)cccc1F	ZINC000717784905	848390324	/nfs/dbraw/zinc/39/03/24/848390324.db2.gz	UCFOSYQXYVKFOH-QMMMGPOBSA-N	-1	0	275.276	0.627	20	30		CCEDRM
C#CCCCNC(=O)N[C@H](Cc1cncs1)C(=O)[O-]	ZINC000719005519	849285190	/nfs/dbraw/zinc/28/51/90/849285190.db2.gz	OTBXCFXXSZZQQB-SNVBAGLBSA-N	-1	0	281.337	0.851	20	30		CCEDRM
C#CCN(CC1CC1)C(=O)[C@H]1CC[C@@H](C(=O)[O-])O1	ZINC000222765700	853058302	/nfs/dbraw/zinc/05/83/02/853058302.db2.gz	HNYGYKPPXVUZPL-MNOVXSKESA-N	-1	0	251.282	0.490	20	30		CCEDRM
C#CC[C@H](NC(=O)c1cccc(OC)c1OC)C(=O)[O-]	ZINC000149549202	853987373	/nfs/dbraw/zinc/98/73/73/853987373.db2.gz	PTVIEEXGWRFASE-JTQLQIEISA-N	-1	0	277.276	0.910	20	30		CCEDRM
C#CC[C@H](NC(=O)[C@@H](C)NC(=O)C(C)(C)C)C(=O)[O-]	ZINC000149760720	853997001	/nfs/dbraw/zinc/99/70/01/853997001.db2.gz	UWLQHBXFSGKPKE-BDAKNGLRSA-N	-1	0	268.313	0.130	20	30		CCEDRM
C#CC[C@@H](NC(=O)[C@H]1OCCc2ccccc21)C(=O)[O-]	ZINC000149979445	854011404	/nfs/dbraw/zinc/01/14/04/854011404.db2.gz	ZICKTNJITRCMOO-OLZOCXBDSA-N	-1	0	273.288	0.893	20	30		CCEDRM
C=CCN(CC(=O)[O-])C(=O)NCc1nn(C)cc1Cl	ZINC000393442199	854116789	/nfs/dbraw/zinc/11/67/89/854116789.db2.gz	WBBXPCKAYWIACH-UHFFFAOYSA-N	-1	0	286.719	0.856	20	30		CCEDRM
Cc1n[nH]c(C(=O)NCC2(NCC#N)CCCCC2)c1[O-]	ZINC001115484168	855676269	/nfs/dbraw/zinc/67/62/69/855676269.db2.gz	GSHZBNGOADECCH-UHFFFAOYSA-N	-1	0	291.355	0.970	20	30		CCEDRM
C=CC[C@@H](CC)NC(=O)C(=O)[N-]OCCOCC	ZINC001117393968	855965706	/nfs/dbraw/zinc/96/57/06/855965706.db2.gz	MPPVZVJKCXZCCO-SNVBAGLBSA-N	-1	0	258.318	0.542	20	30		CCEDRM
N#CCCCS(=O)(=O)[N-]C(=O)COCC(F)F	ZINC001118855528	856466502	/nfs/dbraw/zinc/46/65/02/856466502.db2.gz	KBMNNHKRYMNHKG-UHFFFAOYSA-N	-1	0	270.257	0.018	20	30		CCEDRM
C=CCO[C@H]1CCN(Cc2cc(C(=O)[O-])nn2C)C1	ZINC001119035804	856535760	/nfs/dbraw/zinc/53/57/60/856535760.db2.gz	BYHNGZVKDMHOSG-NSHDSACASA-N	-1	0	265.313	0.895	20	30		CCEDRM
COC(=O)CCN(CC#N)Cc1cc(=O)[nH]c(C2CC2)n1	ZINC001119317424	856628869	/nfs/dbraw/zinc/62/88/69/856628869.db2.gz	NAWUFRSXUSOBGJ-UHFFFAOYSA-N	-1	0	290.323	0.948	20	30		CCEDRM
C=CC[C@@H](CC)NC(=O)C(=O)NCCCCC(=O)[O-]	ZINC001119331506	856637345	/nfs/dbraw/zinc/63/73/45/856637345.db2.gz	BJHREPIWPFMBNV-SNVBAGLBSA-N	-1	0	270.329	0.828	20	30		CCEDRM
N#CCCCS(=O)(=O)[N-][C@H](CCO)C(F)(F)F	ZINC001119436067	856684151	/nfs/dbraw/zinc/68/41/51/856684151.db2.gz	VTZYRXDCUYULTM-SSDOTTSWSA-N	-1	0	274.264	0.523	20	30		CCEDRM
C#CCSCC(=O)[N-]S(=O)(=O)CCC(C)(C)OC	ZINC001119487414	856703472	/nfs/dbraw/zinc/70/34/72/856703472.db2.gz	MVRDCFFNFQZSIZ-UHFFFAOYSA-N	-1	0	293.410	0.614	20	30		CCEDRM
C#CCC1(O)CCN(C(=O)c2cc(=O)n(C)[n-]2)CC1	ZINC001119665090	856825340	/nfs/dbraw/zinc/82/53/40/856825340.db2.gz	NBJJTQHCBOAAID-UHFFFAOYSA-N	-1	0	263.297	0.116	20	30		CCEDRM
CC#CCS(=O)(=O)[N-]C(=O)Cc1c[nH]c2cnccc12	ZINC001324266274	912750889	/nfs/dbraw/zinc/75/08/89/912750889.db2.gz	ORCFBFVLSABEME-UHFFFAOYSA-N	-1	0	291.332	0.575	20	30		CCEDRM
Cc1ccc(NN=C2C(=O)[N-]C(=O)NC2=O)cc1Cl	ZINC001324885460	913080567	/nfs/dbraw/zinc/08/05/67/913080567.db2.gz	ZIWOZIWKHWMDPI-UHFFFAOYSA-N	-1	0	280.671	0.782	20	30		CCEDRM
Cc1c[nH]nc1C=Nn1c(=O)c(C)n[n-]c1=S	ZINC001324915428	913097069	/nfs/dbraw/zinc/09/70/69/913097069.db2.gz	ZRZSMDKKYFEVFY-UHFFFAOYSA-N	-1	0	250.287	0.149	20	30		CCEDRM
N#CCN1CC[C@H]1CNC(=O)c1ccc2oc(=O)nc-2[n-]1	ZINC001038919918	892933284	/nfs/dbraw/zinc/93/32/84/892933284.db2.gz	GDJZTFPALFDCOW-QMMMGPOBSA-N	-1	0	287.279	0.256	20	30		CCEDRM
CCC[C@@H](C)C(=O)NCCn1cc(C#N)c(=O)[n-]c1=O	ZINC001362689108	893620913	/nfs/dbraw/zinc/62/09/13/893620913.db2.gz	MTSWACVHHIETKS-SECBINFHSA-N	-1	0	278.312	0.373	20	30		CCEDRM
COC1(CN=Nc2nnc(C)c(=O)[n-]2)CCOCC1	ZINC001326365471	913914876	/nfs/dbraw/zinc/91/48/76/913914876.db2.gz	ZXXXMKOYZRQZEI-UHFFFAOYSA-N	-1	0	267.289	0.479	20	30		CCEDRM
Cc1nnc(NNC2=CC(=O)N3CCC[C@@H]23)[n-]c1=O	ZINC001327032058	914324163	/nfs/dbraw/zinc/32/41/63/914324163.db2.gz	WJDPKLOQEXHGLS-QMMMGPOBSA-N	-1	0	262.273	0.048	20	30		CCEDRM
C[C@H](C#N)S(=O)(=O)[N-]c1cccnc1OC1COC1	ZINC001193106477	900031837	/nfs/dbraw/zinc/03/18/37/900031837.db2.gz	GKDGGEFPFMXPSA-MRVPVSSYSA-N	-1	0	283.309	0.513	20	30		CCEDRM
COc1cc(F)ncc1[N-]S(=O)(=O)[C@@H](C)C#N	ZINC001193110748	900033605	/nfs/dbraw/zinc/03/36/05/900033605.db2.gz	BSZOSUUUPMQVDO-LURJTMIESA-N	-1	0	259.262	0.883	20	30		CCEDRM
CC(C)C1(NC(=O)CCn2cc(C#N)c(=O)[n-]c2=O)CC1	ZINC001412173710	901523828	/nfs/dbraw/zinc/52/38/28/901523828.db2.gz	MEHDVTSUDUHKCX-UHFFFAOYSA-N	-1	0	290.323	0.515	20	30		CCEDRM
CCS(=O)(=O)[N-]C(=O)CC1(C#N)CCOCC1	ZINC001327457398	914551990	/nfs/dbraw/zinc/55/19/90/914551990.db2.gz	MGAQQVWRSNIVQF-UHFFFAOYSA-N	-1	0	260.315	0.163	20	30		CCEDRM
N#Cc1ccc(C(=O)N2CC[C@@H](c3nnn[n-]3)C2)cc1O	ZINC001412494181	901767714	/nfs/dbraw/zinc/76/77/14/901767714.db2.gz	XMDZPFYXPDOHGR-SNVBAGLBSA-N	-1	0	284.279	0.407	20	30		CCEDRM
N#Cc1cccc(C(=O)NC23CC(C(N)=O)(C2)C3)c1[O-]	ZINC001276215151	901974944	/nfs/dbraw/zinc/97/49/44/901974944.db2.gz	HIHHSDFFJHSVGA-UHFFFAOYSA-N	-1	0	271.276	0.402	20	30		CCEDRM
N#Cc1ccc(C2(C(=O)Nn3c(=O)[n-][nH]c3=O)CC2)cc1	ZINC001413021844	902495615	/nfs/dbraw/zinc/49/56/15/902495615.db2.gz	AEGFWQFUHNCAAU-UHFFFAOYSA-N	-1	0	285.263	0.363	20	30		CCEDRM
N#Cc1ccc2c(c1)C[C@@H](NC(=O)CCc1nnn[n-]1)C2	ZINC001413430762	902949017	/nfs/dbraw/zinc/94/90/17/902949017.db2.gz	CQAMFTKTAXFYRV-LBPRGKRZSA-N	-1	0	282.307	0.288	20	30		CCEDRM
C#C[C@@H](CC)[N-]S(=O)(=O)c1nn(C)cc1[N+](=O)[O-]	ZINC001331556201	903997632	/nfs/dbraw/zinc/99/76/32/903997632.db2.gz	SYPRKOQTPLZPSS-ZETCQYMHSA-N	-1	0	272.286	0.018	20	30		CCEDRM
C=CC(C)(C)C(=O)NC[C@H](C)N(C)Cc1n[nH]c(=O)[n-]1	ZINC001282443165	904477703	/nfs/dbraw/zinc/47/77/03/904477703.db2.gz	FNNHFKCFPQJKTG-VIFPVBQESA-N	-1	0	281.360	0.659	20	30		CCEDRM
C=CCOC[C@H](NCc1cc2n(n1)CCC2)C(=O)[O-]	ZINC001334777097	906371176	/nfs/dbraw/zinc/37/11/76/906371176.db2.gz	PIWMWCDNDJYGLJ-LBPRGKRZSA-N	-1	0	265.313	0.575	20	30		CCEDRM
N#Cc1cn(CC(=O)N[C@H]2C=CCCC2)c(=O)[n-]c1=O	ZINC001294730762	906624429	/nfs/dbraw/zinc/62/44/29/906624429.db2.gz	OLILGPHRCCMWIH-JTQLQIEISA-N	-1	0	274.280	0.045	20	30		CCEDRM
Cn1c(=O)[n-]c(NC2CC3(CCC3)C2)c(C#N)c1=O	ZINC001338027609	921345014	/nfs/dbraw/zinc/34/50/14/921345014.db2.gz	KQMJIVXCWYKBLB-UHFFFAOYSA-N	-1	0	260.297	0.690	20	30		CCEDRM
Cn1c(=O)[n-]c(N[C@H]2CCC(C)(C)C2)c(C#N)c1=O	ZINC001336578795	907944898	/nfs/dbraw/zinc/94/48/98/907944898.db2.gz	PDDHYVRGXYAEDU-QMMMGPOBSA-N	-1	0	262.313	0.936	20	30		CCEDRM
N#Cc1cn(CC(=O)NCC2=CCCC2)c(=O)[n-]c1=O	ZINC001301086825	907951797	/nfs/dbraw/zinc/95/17/97/907951797.db2.gz	YHRPMVVCRBAMIQ-UHFFFAOYSA-N	-1	0	274.280	0.047	20	30		CCEDRM
CSCC[C@H](NC(=O)[C@H](C)C#N)c1nnn[n-]1	ZINC001301159420	907961012	/nfs/dbraw/zinc/96/10/12/907961012.db2.gz	RUYYEGLSIILMEV-RQJHMYQMSA-N	-1	0	254.319	0.270	20	30		CCEDRM
N#Cc1c[n-]c(=O)n(CCOCc2ccccc2)c1=O	ZINC001307359279	908308570	/nfs/dbraw/zinc/30/85/70/908308570.db2.gz	CZCMIWRRIVOFOD-UHFFFAOYSA-N	-1	0	271.276	0.625	20	30		CCEDRM
CO[N-]C(=O)CNC(=O)Nc1cc(C#N)ccc1OC	ZINC001310212363	908488472	/nfs/dbraw/zinc/48/84/72/908488472.db2.gz	YTCICTHXIIXRBN-UHFFFAOYSA-N	-1	0	278.268	0.366	20	30		CCEDRM
C[C@@H](CN(C)C(=O)CSCC#N)c1nnn[n-]1	ZINC001338288973	921417984	/nfs/dbraw/zinc/41/79/84/921417984.db2.gz	TUDBVOKYUFIYIL-ZETCQYMHSA-N	-1	0	254.319	0.018	20	30		CCEDRM
Cc1cc(C#N)c(=O)[n-]c1C(=O)N[C@@H](C)Cn1ccnc1	ZINC001417611226	921453712	/nfs/dbraw/zinc/45/37/12/921453712.db2.gz	RPFHESGKSSYIAS-JTQLQIEISA-N	-1	0	285.307	0.982	20	30		CCEDRM
CCCN(CC(=O)NC)C(=O)c1[n-]c(=O)c(C#N)cc1C	ZINC001417618048	921459749	/nfs/dbraw/zinc/45/97/49/921459749.db2.gz	PKAVINJEILWRCU-UHFFFAOYSA-N	-1	0	290.323	0.566	20	30		CCEDRM
Cc1cc(C#N)c(=O)[n-]c1C(=O)N[C@@H](C)c1ncon1	ZINC001417683243	921528841	/nfs/dbraw/zinc/52/88/41/921528841.db2.gz	IBNHWVZZQOUZPA-ZETCQYMHSA-N	-1	0	273.252	0.841	20	30		CCEDRM
CS(=O)(=O)[N-]C(=O)C1(c2cccc(C#N)c2)CC1	ZINC001319324244	910095863	/nfs/dbraw/zinc/09/58/63/910095863.db2.gz	FYLNWVWZZLXUCT-UHFFFAOYSA-N	-1	0	264.306	0.666	20	30		CCEDRM
C=C(CCC(=O)[O-])C(=O)N1CCC[C@H](C(N)=O)C1	ZINC001588613839	983705036	/nfs/dbraw/zinc/70/50/36/983705036.db2.gz	FRIVPWAXSVLGFN-VIFPVBQESA-N	-1	0	254.286	0.131	20	30		CCEDRM
C=CCCO[C@@H](C)C(=O)[N-]S(=O)(=O)N(CC)CC	ZINC001321163184	911129653	/nfs/dbraw/zinc/12/96/53/911129653.db2.gz	SEANFVKLAVWNDU-JTQLQIEISA-N	-1	0	278.374	0.670	20	30		CCEDRM
C=CC[C@H](NC(=O)c1cccc(NC(N)=O)c1)C(=O)[O-]	ZINC001321166756	911135257	/nfs/dbraw/zinc/13/52/57/911135257.db2.gz	KNHNZBPTEFAOSM-JTQLQIEISA-N	-1	0	277.280	0.936	20	30		CCEDRM
C=CC[C@@H](NC(=O)CS(=O)(=O)C1CCCC1)C(=O)[O-]	ZINC001321166962	911135478	/nfs/dbraw/zinc/13/54/78/911135478.db2.gz	MBRHTPJXVCHMCD-SNVBAGLBSA-N	-1	0	289.353	0.489	20	30		CCEDRM
C=CC[C@@H](NC(=O)[C@H](C)NC(=O)c1ccoc1)C(=O)[O-]	ZINC001321658753	911427638	/nfs/dbraw/zinc/42/76/38/911427638.db2.gz	VUCYBURDJKTDRY-WCBMZHEXSA-N	-1	0	280.280	0.543	20	30		CCEDRM
C=CC[C@@H](NC(=O)c1cnn(CCOC)c1C)C(=O)[O-]	ZINC001339524426	921749072	/nfs/dbraw/zinc/74/90/72/921749072.db2.gz	VKBZPMZBHGEMCQ-LLVKDONJSA-N	-1	0	281.312	0.597	20	30		CCEDRM
Cc1[nH]nc(C(=O)N(C)CCN(C)C(=O)[C@@H](C)C#N)c1[O-]	ZINC001399679876	915311785	/nfs/dbraw/zinc/31/17/85/915311785.db2.gz	KUEYJWFQGDGCDS-QMMMGPOBSA-N	-1	0	293.327	0.114	20	30		CCEDRM
Cc1n[nH]c(C(=O)N[C@H](C)[C@H](C)NCC#N)c1[O-]	ZINC001329016323	915592370	/nfs/dbraw/zinc/59/23/70/915592370.db2.gz	RYHOCYUYAPDZAL-NKWVEPMBSA-N	-1	0	251.290	0.044	20	30		CCEDRM
C=CCn1c(-c2cc(=O)[nH][n-]2)nnc1N1CCCCC1	ZINC001339709500	921804496	/nfs/dbraw/zinc/80/44/96/921804496.db2.gz	GSLJWVJGJMFUDL-UHFFFAOYSA-N	-1	0	274.328	0.678	20	30		CCEDRM
C=C[C@@H](C)O[N-]C(=O)C(=O)Nc1cc(COC)ncn1	ZINC001329674579	916116086	/nfs/dbraw/zinc/11/60/86/916116086.db2.gz	GKJPJCWYPNUQDS-MRVPVSSYSA-N	-1	0	280.284	0.184	20	30		CCEDRM
COc1nc(Cl)c(C=NNc2nnc(C)c(=O)[n-]2)n1C	ZINC001330311396	916547270	/nfs/dbraw/zinc/54/72/70/916547270.db2.gz	ZIVZLFWYPKHSDQ-UHFFFAOYSA-N	-1	0	297.706	0.727	20	30		CCEDRM
C#CCSCC(=O)[N-]S(=O)(=O)CCC(C)C	ZINC001331451053	917345694	/nfs/dbraw/zinc/34/56/94/917345694.db2.gz	DJGSFXUYQOSYDW-UHFFFAOYSA-N	-1	0	263.384	0.845	20	30		CCEDRM
C=C[C@@H]1OCC[C@H]1CNC(=O)c1c(C(=O)[O-])cnn1C	ZINC001331950726	917745551	/nfs/dbraw/zinc/74/55/51/917745551.db2.gz	MTVJUPPAOWABMY-WPRPVWTQSA-N	-1	0	279.296	0.439	20	30		CCEDRM
C=CCC[C@H](NC(=O)c1cc(CN(C)C)on1)C(=O)[O-]	ZINC001332134560	917892260	/nfs/dbraw/zinc/89/22/60/917892260.db2.gz	BJUNFJNZUKNEHY-JTQLQIEISA-N	-1	0	281.312	0.885	20	30		CCEDRM
C#CC[C@H](NC(=O)[C@@H](C)N(C)CC(F)(F)F)C(=O)[O-]	ZINC001332149983	917908133	/nfs/dbraw/zinc/90/81/33/917908133.db2.gz	QDCSQJDRIIMUGU-SFYZADRCSA-N	-1	0	280.246	0.462	20	30		CCEDRM
C=CC(C)(C)CCCNC(=O)C(=O)NCC(=O)[N-]OCC	ZINC001333087547	918644714	/nfs/dbraw/zinc/64/47/14/918644714.db2.gz	OYRNONZBGAXTEH-UHFFFAOYSA-N	-1	0	299.371	0.279	20	30		CCEDRM
C#CCN1CCN(C(=O)[C@H]2CC[C@@H](CCC(=O)[O-])O2)CC1	ZINC001333366762	918839881	/nfs/dbraw/zinc/83/98/81/918839881.db2.gz	SOFMJAKFBQLDIX-QWHCGFSZSA-N	-1	0	294.351	0.176	20	30		CCEDRM
C=CCOC[C@@H](NCc1ccnc(OC)n1)C(=O)[O-]	ZINC001334025497	919327509	/nfs/dbraw/zinc/32/75/09/919327509.db2.gz	NCOGLHBNLYKRJG-SNVBAGLBSA-N	-1	0	267.285	0.231	20	30		CCEDRM
C=C1C[C@H]2CC[C@@H](C1)N2c1nnnn1CC(=O)[N-]OCC	ZINC001334597386	919671871	/nfs/dbraw/zinc/67/18/71/919671871.db2.gz	NQIMBWDHGSQZKW-PHIMTYICSA-N	-1	0	292.343	0.428	20	30		CCEDRM
C=C(C)C[C@H](NCc1nnn(C(C)(C)C)n1)C(=O)[O-]	ZINC001334776676	919760681	/nfs/dbraw/zinc/76/06/81/919760681.db2.gz	IVVNAHBAGAYVEJ-VIFPVBQESA-N	-1	0	267.333	0.937	20	30		CCEDRM
C=CCC(C)(C)c1noc([C@]2(C(=O)[O-])C[NH2+]CCO2)n1	ZINC001334780164	919762592	/nfs/dbraw/zinc/76/25/92/919762592.db2.gz	UIZIDPKXFWWKSV-ZDUSSCGKSA-N	-1	0	281.312	0.823	20	30		CCEDRM
C=CC[C@H](NC(=O)Cn1nnc2c1CCCC2)C(=O)[O-]	ZINC001334981246	919880968	/nfs/dbraw/zinc/88/09/68/919880968.db2.gz	STZGHDUTOODCOD-JTQLQIEISA-N	-1	0	278.312	0.302	20	30		CCEDRM
Cn1c(=O)[n-]c(N2CCC[C@@H]2C2CC2)c(C#N)c1=O	ZINC001336506389	920809374	/nfs/dbraw/zinc/80/93/74/920809374.db2.gz	PRANVSCAYZLJLU-SNVBAGLBSA-N	-1	0	260.297	0.324	20	30		CCEDRM
CCN(Cc1nc2c(c(=O)[nH]1)COCC2)[C@@H](C)C#N	ZINC001336789781	921012821	/nfs/dbraw/zinc/01/28/21/921012821.db2.gz	CRVWGNGQWQQPRD-VIFPVBQESA-N	-1	0	262.313	0.989	20	30		CCEDRM
C=CCn1c(-c2cc(=O)n(C)[n-]2)nnc1N(C)CCOC	ZINC001340360398	922063904	/nfs/dbraw/zinc/06/39/04/922063904.db2.gz	LCNAOGDKEUEDHU-UHFFFAOYSA-N	-1	0	292.343	0.653	20	30		CCEDRM
C=CCNC(=O)C(C#N)=C([O-])c1cnn(CCF)c1	ZINC001341930353	922727349	/nfs/dbraw/zinc/72/73/49/922727349.db2.gz	NORVIRJAMPNZJM-JTQLQIEISA-N	-1	0	264.260	0.477	20	30		CCEDRM
C#C[C@@H]1CCCN(c2nnc(-c3nn[nH]n3)n2CC(=C)C)C1	ZINC001342533731	922994031	/nfs/dbraw/zinc/99/40/31/922994031.db2.gz	YSCWCSXLOUEYMN-LLVKDONJSA-N	-1	0	298.354	0.884	20	30		CCEDRM
Cc1nnc2ccc(C([O-])=C(C#N)C(=O)N3CCCC3)cn12	ZINC001342565048	923002108	/nfs/dbraw/zinc/00/21/08/923002108.db2.gz	BCZDRVLMFZIUAD-LBPRGKRZSA-N	-1	0	297.318	0.983	20	30		CCEDRM
CCOCCCNC(=O)C(C#N)=C([O-])c1c(C)cnn1C	ZINC001343472993	923336221	/nfs/dbraw/zinc/33/62/21/923336221.db2.gz	FIROEXJSUCYCPB-LLVKDONJSA-N	-1	0	292.339	0.594	20	30		CCEDRM
CC[C@@H](C)n1nccc1C([O-])=C(C#N)C(=O)NCCOC	ZINC001343582386	923381734	/nfs/dbraw/zinc/38/17/34/923381734.db2.gz	KKUISGBEMVOYGI-MNOVXSKESA-N	-1	0	292.339	0.939	20	30		CCEDRM
CO[C@H](C(=O)C(C#N)=C([O-])c1nccn1C)[C@@H]1CCOC1	ZINC001344059364	923544408	/nfs/dbraw/zinc/54/44/08/923544408.db2.gz	UFCFSVWUXGNQOJ-BREBYQMCSA-N	-1	0	291.307	0.363	20	30		CCEDRM
C=CC[C@H](NC(=O)[C@@H]1CCCN1C(=O)NC(C)C)C(=O)[O-]	ZINC001344551402	923634582	/nfs/dbraw/zinc/63/45/82/923634582.db2.gz	BNQHNJHONNJMPS-QWRGUYRKSA-N	-1	0	297.355	0.714	20	30		CCEDRM
Cc1ocnc1C([O-])=C(C#N)C(=O)c1nccn1C	ZINC001344594624	923650066	/nfs/dbraw/zinc/65/00/66/923650066.db2.gz	GUTUEIVPWAAEFB-QMMMGPOBSA-N	-1	0	258.237	0.922	20	30		CCEDRM
C=CCNC(=O)C(C#N)=C([O-])c1noc2c1COCC2	ZINC001346121510	924076286	/nfs/dbraw/zinc/07/62/86/924076286.db2.gz	CKXOZHFBRCAGEL-QMMMGPOBSA-N	-1	0	275.264	0.372	20	30		CCEDRM
O=C(C#Cc1cccs1)N1CC[C@@H](c2nnn[n-]2)C1	ZINC001347197347	924395398	/nfs/dbraw/zinc/39/53/98/924395398.db2.gz	KRDZTILMDZLZPZ-SECBINFHSA-N	-1	0	273.321	0.629	20	30		CCEDRM
C=CC[C@H](NC(=O)c1cn(CC=C)nn1)C(=O)[O-]	ZINC001349473656	924969745	/nfs/dbraw/zinc/96/97/45/924969745.db2.gz	OCPJCKWNCOURDO-QMMMGPOBSA-N	-1	0	250.258	0.223	20	30		CCEDRM
C#C[C@@H]1CCCN(C(=O)c2c[n-]n3c2nccc3=O)C1	ZINC001349811585	925066942	/nfs/dbraw/zinc/06/69/42/925066942.db2.gz	LJTUHTLTKZTPBZ-SNVBAGLBSA-N	-1	0	270.292	0.508	20	30		CCEDRM
CC(=NN(C)C[C@H](C)O)c1cncc(C(=O)[O-])c1	ZINC001349816421	925067914	/nfs/dbraw/zinc/06/79/14/925067914.db2.gz	BMXZVESNWFZBBX-QMMMGPOBSA-N	-1	0	251.286	0.816	20	30		CCEDRM
C=CCOC[C@@H](NCc1cnc(N(C)C)s1)C(=O)[O-]	ZINC001350611518	925238725	/nfs/dbraw/zinc/23/87/25/925238725.db2.gz	VARHMPKUOCAJEO-SNVBAGLBSA-N	-1	0	285.369	0.955	20	30		CCEDRM
C=CCn1c(-c2cc(=O)[nH][n-]2)nnc1N1CC[C@@H](C)C1	ZINC001351852988	925485016	/nfs/dbraw/zinc/48/50/16/925485016.db2.gz	ZICSTUINJPEMEQ-SECBINFHSA-N	-1	0	274.328	0.534	20	30		CCEDRM
C#C[C@@H]1CCCN(c2nnc(-c3cc(=O)[nH][n-]3)n2CC)C1	ZINC001352649844	925613545	/nfs/dbraw/zinc/61/35/45/925613545.db2.gz	XZWXDSZEUGNHMZ-SNVBAGLBSA-N	-1	0	286.339	0.372	20	30		CCEDRM
C=CC[C@@H](NC(=O)C[C@H](C)n1cccn1)C(=O)[O-]	ZINC001354047095	925996847	/nfs/dbraw/zinc/99/68/47/925996847.db2.gz	LROZLMWPFJZXKS-VHSXEESVSA-N	-1	0	251.286	0.980	20	30		CCEDRM
C=CC[C@H](NC(=O)[C@@]1(OC)CCSC1)C(=O)[O-]	ZINC001354048126	925997194	/nfs/dbraw/zinc/99/71/94/925997194.db2.gz	XZVHCEKJCCAOBJ-GZMMTYOYSA-N	-1	0	259.327	0.654	20	30		CCEDRM
C#CCCN1CCN(C(=O)c2cc(C(=O)[O-])ccn2)CC1	ZINC001354073788	926008272	/nfs/dbraw/zinc/00/82/72/926008272.db2.gz	QVWAPUSMKQYYTN-UHFFFAOYSA-N	-1	0	287.319	0.561	20	30		CCEDRM
C=CCN(CCOC)c1nnc(-c2cc(=O)n(C)[n-]2)n1C	ZINC001355609468	926292192	/nfs/dbraw/zinc/29/21/92/926292192.db2.gz	BPJXTESPAQPRQE-UHFFFAOYSA-N	-1	0	292.343	0.560	20	30		CCEDRM
CC[C@@H](C)C[C@H](CO)Nc1[n-]c(=O)n(C)c(=O)c1C#N	ZINC001413893709	926949497	/nfs/dbraw/zinc/94/94/97/926949497.db2.gz	NPECIYUMXJKTGT-RKDXNWHRSA-N	-1	0	280.328	0.154	20	30		CCEDRM
N#CCCN(Cc1ccco1)C(=O)Cn1c(=O)[n-][nH]c1=O	ZINC001362086229	927601465	/nfs/dbraw/zinc/60/14/65/927601465.db2.gz	ABYPTIINIGAJTJ-UHFFFAOYSA-N	-1	0	291.267	0.225	20	30		CCEDRM
CCOC(=O)CN(CC)C(=O)c1[n-]c(=O)c(C#N)cc1C	ZINC001362121384	927636771	/nfs/dbraw/zinc/63/67/71/927636771.db2.gz	BUPUTDNVLOIFCW-UHFFFAOYSA-N	-1	0	291.307	0.993	20	30		CCEDRM
CC[C@@H]1C(=O)NCCN1C(=O)c1[n-]c(=O)c(C#N)cc1C	ZINC001362136221	927653471	/nfs/dbraw/zinc/65/34/71/927653471.db2.gz	GMBJLHCYFJQLMD-SNVBAGLBSA-N	-1	0	288.307	0.318	20	30		CCEDRM
Cc1cc(C#N)c(=O)[n-]c1C(=O)NCCc1ncc[nH]1	ZINC001362158615	927677115	/nfs/dbraw/zinc/67/71/15/927677115.db2.gz	FEVFAVHSZKVJEE-UHFFFAOYSA-N	-1	0	271.280	0.663	20	30		CCEDRM
CC[C@@H]1CCC[C@@H]1NC(=O)Cn1cc(C#N)c(=O)[n-]c1=O	ZINC001362226176	927749191	/nfs/dbraw/zinc/74/91/91/927749191.db2.gz	RVBXAXDCPIQNRQ-KOLCDFICSA-N	-1	0	290.323	0.515	20	30		CCEDRM
C[C@H](CN(C)C(=O)c1ccc(C#N)n1C)c1nnn[n-]1	ZINC001362330445	927890532	/nfs/dbraw/zinc/89/05/32/927890532.db2.gz	YIKVFUPDHPVQGL-MRVPVSSYSA-N	-1	0	273.300	0.286	20	30		CCEDRM
COc1cc(C(=O)NCCc2nc(=O)o[n-]2)ccc1C#N	ZINC001362398533	927965649	/nfs/dbraw/zinc/96/56/49/927965649.db2.gz	DFLJGNRSEZQGTK-UHFFFAOYSA-N	-1	0	288.263	0.216	20	30		CCEDRM
Cc1cc(C#N)c(=O)[n-]c1C(=O)NC[C@@]1(O)CCO[C@H]1C	ZINC001362455359	928040962	/nfs/dbraw/zinc/04/09/62/928040962.db2.gz	WEZTUMRLMNVNTN-XPTSAGLGSA-N	-1	0	291.307	0.237	20	30		CCEDRM
CCn1ncn([N-]C(=O)c2ccc(C#N)cc2F)c1=O	ZINC001362503444	928106356	/nfs/dbraw/zinc/10/63/56/928106356.db2.gz	MVVITDRCBLXQRP-UHFFFAOYSA-N	-1	0	275.243	0.459	20	30		CCEDRM
Cc1cc(C#N)c(=O)[n-]c1C(=O)N[C@H](CO)CC(F)F	ZINC001362566842	928186947	/nfs/dbraw/zinc/18/69/47/928186947.db2.gz	CXQRLKBVZNMAEF-QMMMGPOBSA-N	-1	0	285.250	0.713	20	30		CCEDRM
C[C@]1(C#N)CCN(C(=O)c2cccc(-n3[n-]nnc3=N)c2)C1	ZINC001362713065	928398061	/nfs/dbraw/zinc/39/80/61/928398061.db2.gz	UINJRVXRRXSXQP-CQSZACIVSA-N	-1	0	297.322	0.451	20	30		CCEDRM
COC[C@H]1COCCN1C(=O)c1[n-]c(=O)c(C#N)cc1C	ZINC001362959361	928699900	/nfs/dbraw/zinc/69/99/00/928699900.db2.gz	SQKLBACQILKLME-NSHDSACASA-N	-1	0	291.307	0.455	20	30		CCEDRM
Cc1cc(C#N)c(=O)[n-]c1C(=O)N1CCC[C@@H]1CCO	ZINC001362982656	928725059	/nfs/dbraw/zinc/72/50/59/928725059.db2.gz	NTCDGYWYMPPRNL-LLVKDONJSA-N	-1	0	275.308	0.954	20	30		CCEDRM
CC(C)CC1(NC(=O)Cn2cc(C#N)c(=O)[n-]c2=O)CC1	ZINC001363002391	928747643	/nfs/dbraw/zinc/74/76/43/928747643.db2.gz	BWFHBBBNDAQDAB-UHFFFAOYSA-N	-1	0	290.323	0.515	20	30		CCEDRM
CN(C[C@@H](O)c1cccc(C#N)c1)C(=O)c1c[n-]ncc1=O	ZINC001363219975	928989794	/nfs/dbraw/zinc/98/97/94/928989794.db2.gz	STRRWXCNNDZYLK-CQSZACIVSA-N	-1	0	298.302	0.859	20	30		CCEDRM
Cc1cc(C#N)cnc1C(=O)NC1(c2nnn[n-]2)CCC1	ZINC001363548638	929350468	/nfs/dbraw/zinc/35/04/68/929350468.db2.gz	JPPSVLZBEPCZNS-UHFFFAOYSA-N	-1	0	283.295	0.584	20	30		CCEDRM
CCN(CCNC(=O)[C@H](C)C#N)C(=O)c1n[nH]c(C)c1[O-]	ZINC001373938892	930375373	/nfs/dbraw/zinc/37/53/73/930375373.db2.gz	XRCFUBLLPZOXCS-MRVPVSSYSA-N	-1	0	293.327	0.162	20	30		CCEDRM
CC[C@H](CNC(=O)c1[nH]nc(C)c1[O-])NC(=O)[C@@H](C)C#N	ZINC001450893513	931353622	/nfs/dbraw/zinc/35/36/22/931353622.db2.gz	LSSLZIPKRWSPED-IONNQARKSA-N	-1	0	293.327	0.208	20	30		CCEDRM
N#Cc1ccc(C(=O)N[C@H]2CC[C@@H](C(=O)[O-])C2)cn1	ZINC001601092889	970931112	/nfs/dbraw/zinc/93/11/12/970931112.db2.gz	CAXVGZAMGJZTNE-SCZZXKLOSA-N	-1	0	259.265	0.936	20	30		CCEDRM
Cc1nc(NC(=O)[C@H](C)C(=O)[O-])n(-c2ccc(C#N)cc2)n1	ZINC001611238202	970948304	/nfs/dbraw/zinc/94/83/04/970948304.db2.gz	LHLTXSKVSUVUQC-QMMMGPOBSA-N	-1	0	299.290	0.529	20	30		CCEDRM
N#Cc1cccc(NC(=O)CSCC(=O)[O-])n1	ZINC001605617546	973934548	/nfs/dbraw/zinc/93/45/48/973934548.db2.gz	LIWJEQVBGANMKG-UHFFFAOYSA-N	-1	0	251.267	0.710	20	30		CCEDRM
C#C[C@H](C)NC(=O)C(=O)Nc1ccc(C(=O)[O-])cc1F	ZINC001602672282	971236766	/nfs/dbraw/zinc/23/67/66/971236766.db2.gz	JIBRQSHAUDAJKE-ZETCQYMHSA-N	-1	0	278.239	0.600	20	30		CCEDRM
C#CCN(CC(=O)[O-])C(=O)C[C@@H](OCC)C(=C)C	ZINC001602682313	971267858	/nfs/dbraw/zinc/26/78/58/971267858.db2.gz	MRBHZASKKMWTNL-LLVKDONJSA-N	-1	0	253.298	0.904	20	30		CCEDRM
C#CCN(CC(=O)[O-])C(=O)NC[C@H]1CCOC[C@H]1C	ZINC001602686065	971285014	/nfs/dbraw/zinc/28/50/14/971285014.db2.gz	QDFAEMMWHGQFPP-GHMZBOCLSA-N	-1	0	268.313	0.388	20	30		CCEDRM
C#CCN(CC(=O)[O-])C(=O)c1ncccc1SC	ZINC001602692186	971300620	/nfs/dbraw/zinc/30/06/20/971300620.db2.gz	GTBMODXUUKUSMT-UHFFFAOYSA-N	-1	0	264.306	0.964	20	30		CCEDRM
C#CCN(CC(=O)[O-])C(=O)c1ccnn1CC(C)C	ZINC001602692568	971303874	/nfs/dbraw/zinc/30/38/74/971303874.db2.gz	UFTTYIOGAKYUAK-UHFFFAOYSA-N	-1	0	263.297	0.699	20	30		CCEDRM
C#CCN(CC(=O)[O-])C(=O)c1ncccc1NCC	ZINC001602692565	971303922	/nfs/dbraw/zinc/30/39/22/971303922.db2.gz	UCXYFLONSGUWGR-UHFFFAOYSA-N	-1	0	261.281	0.673	20	30		CCEDRM
C#CCN(CC(=O)[O-])C(=O)c1ccc2c(c1)ncnc2NC	ZINC001602692566	971304124	/nfs/dbraw/zinc/30/41/24/971304124.db2.gz	UEHJABYQJSMPSP-UHFFFAOYSA-N	-1	0	298.302	0.832	20	30		CCEDRM
C#CCN(CC(=O)[O-])Cc1cc(C(N)=O)cs1	ZINC001602695262	971306410	/nfs/dbraw/zinc/30/64/10/971306410.db2.gz	BGAXWTUHMWPNSI-UHFFFAOYSA-N	-1	0	252.295	0.367	20	30		CCEDRM
C#CCN(CC(=O)[O-])Cc1ccc(S(=O)(=O)NC)cc1	ZINC001602695662	971310158	/nfs/dbraw/zinc/31/01/58/971310158.db2.gz	ONIYIYXXPHRFSA-UHFFFAOYSA-N	-1	0	296.348	0.115	20	30		CCEDRM
C#CCN(CC(=O)[O-])c1nnc(-c2cccc(=O)[nH]2)n1C	ZINC001602699697	971318059	/nfs/dbraw/zinc/31/80/59/971318059.db2.gz	ZLUREPRFSRALND-UHFFFAOYSA-N	-1	0	287.279	0.107	20	30		CCEDRM
C#CCN(CC(=O)[O-])c1nnc(C2CCSCC2)n1C	ZINC001602700935	971323897	/nfs/dbraw/zinc/32/38/97/971323897.db2.gz	ORGNJXOLBBJHKV-UHFFFAOYSA-N	-1	0	294.380	0.950	20	30		CCEDRM
C#CCN(CC(=O)[O-])c1nnnn1CC[C@@H]1CCCCO1	ZINC001602701112	971326379	/nfs/dbraw/zinc/32/63/79/971326379.db2.gz	WSDGCGJIKMCYJS-NSHDSACASA-N	-1	0	293.327	0.157	20	30		CCEDRM
C=C[C@@H](O)c1nnc(N2CC[C@@](C)(C(=O)[O-])C2)n1CC	ZINC001602717130	971363588	/nfs/dbraw/zinc/36/35/88/971363588.db2.gz	AGFNMVKMRPEXPL-NOZJJQNGSA-N	-1	0	280.328	0.818	20	30		CCEDRM
C=C[C@H](COC)NC(=O)C(=O)N1CCC[C@H](CC(=O)[O-])C1	ZINC001602717305	971366080	/nfs/dbraw/zinc/36/60/80/971366080.db2.gz	IARXXALIKDRSAZ-GHMZBOCLSA-N	-1	0	298.339	0.017	20	30		CCEDRM
C=CC[C@H](C)NC(=O)[C@@H]1CCCN(CC(=O)[O-])C1=O	ZINC001602718168	971373209	/nfs/dbraw/zinc/37/32/09/971373209.db2.gz	FCZCRGXCISWLEV-UWVGGRQHSA-N	-1	0	268.313	0.390	20	30		CCEDRM
C=CCC1(C(=O)N2CCN(C(=O)C(=O)[O-])CC2)CCCC1	ZINC001602718201	971373509	/nfs/dbraw/zinc/37/35/09/971373509.db2.gz	GXLNXLNEQLZBIS-UHFFFAOYSA-N	-1	0	294.351	0.878	20	30		CCEDRM
CC(=O)NCCN(CC#Cc1ccccc1)[C@H](C)C(=O)[O-]	ZINC001602757639	971472871	/nfs/dbraw/zinc/47/28/71/971472871.db2.gz	KOIVFWCUGGIJKZ-CYBMUJFWSA-N	-1	0	288.347	0.949	20	30		CCEDRM
C[C@@](C#N)(CC(=O)[O-])C(=O)N1CC[C@]2(CCOC2=O)C1	ZINC001602778673	971512422	/nfs/dbraw/zinc/51/24/22/971512422.db2.gz	JYNJWSWUPCHPFM-STQMWFEESA-N	-1	0	280.280	0.157	20	30		CCEDRM
C[C@](C#N)(CC(=O)[O-])C(=O)NCC1(C#N)CCOCC1	ZINC001602781405	971524502	/nfs/dbraw/zinc/52/45/02/971524502.db2.gz	ZEVZGVSSSOSCJD-GFCCVEGCSA-N	-1	0	279.296	0.428	20	30		CCEDRM
C[C@](C#N)(CC(=O)[O-])C(=O)OC[C@@H]1C[C@H]2COC[C@@H]2O1	ZINC001602782523	971529320	/nfs/dbraw/zinc/52/93/20/971529320.db2.gz	VXUDYJRDXIGKEP-AVWBDOJWSA-N	-1	0	283.280	0.338	20	30		CCEDRM
N#Cc1ccc(N2CCOC[C@H]2C(=O)[O-])c([N+](=O)[O-])c1	ZINC000088377261	949102525	/nfs/dbraw/zinc/10/25/25/949102525.db2.gz	HIDOARFURQCUHL-NSHDSACASA-N	-1	0	277.236	0.756	20	30		CCEDRM
N#Cc1cccc(NC(=O)CN2CCOC[C@H]2C(=O)[O-])c1	ZINC000088378356	949104044	/nfs/dbraw/zinc/10/40/44/949104044.db2.gz	PYNIINNFMOVCFS-LBPRGKRZSA-N	-1	0	289.291	0.282	20	30		CCEDRM
C#CCN(CC(=O)[O-])C(=O)c1csc([N+](=O)[O-])c1	ZINC000092477079	949144195	/nfs/dbraw/zinc/14/41/95/949144195.db2.gz	RMYPCWLCHGEJBV-UHFFFAOYSA-N	-1	0	268.250	0.816	20	30		CCEDRM
C#CCN(CC(=O)[O-])C(=O)COc1ccc(C)cc1	ZINC000092477405	949147431	/nfs/dbraw/zinc/14/74/31/949147431.db2.gz	IYGBKQUZPBENEQ-UHFFFAOYSA-N	-1	0	261.277	0.920	20	30		CCEDRM
C#CCN(CC(=O)[O-])S(=O)(=O)N(C)C1CCCCC1	ZINC000092479618	949151963	/nfs/dbraw/zinc/15/19/63/949151963.db2.gz	VUJCXDNUUQAWOL-UHFFFAOYSA-N	-1	0	288.369	0.516	20	30		CCEDRM
C#CCN(CC(=O)[O-])[C@H](C)C(=O)NCc1ccco1	ZINC000092481896	949154519	/nfs/dbraw/zinc/15/45/19/949154519.db2.gz	BWHQYXNKIOUUOG-SNVBAGLBSA-N	-1	0	264.281	0.304	20	30		CCEDRM
CC#CCCNS(=O)(=O)N1CCC(C(=O)[O-])CC1	ZINC000158294594	949367556	/nfs/dbraw/zinc/36/75/56/949367556.db2.gz	WXOCDCWSZPYYBW-UHFFFAOYSA-N	-1	0	274.342	0.031	20	30		CCEDRM
N#C[C@H]1CN(C(=O)Cc2ccccc2C(=O)[O-])CCO1	ZINC000228051593	949619227	/nfs/dbraw/zinc/61/92/27/949619227.db2.gz	SSRXRKULISOOIW-NSHDSACASA-N	-1	0	274.276	0.678	20	30		CCEDRM
CN(CCCC(=O)[O-])S(=O)(=O)c1cccnc1C#N	ZINC000234291518	949823857	/nfs/dbraw/zinc/82/38/57/949823857.db2.gz	IBPKCAHAMYCHND-UHFFFAOYSA-N	-1	0	283.309	0.439	20	30		CCEDRM
CCN(C[C@@H](C)C#N)C(=O)CN1CCC[C@@]1(C)C(=O)[O-]	ZINC001589720448	950414931	/nfs/dbraw/zinc/41/49/31/950414931.db2.gz	POORNBOIQYODOS-FZMZJTMJSA-N	-1	0	281.356	0.934	20	30		CCEDRM
CCN1C[C@@H](COC(=O)[C@@](C)(C#N)CC(=O)[O-])OC1=O	ZINC001589741830	950611290	/nfs/dbraw/zinc/61/12/90/950611290.db2.gz	FSEWMZYEGSBKQM-QPUJVOFHSA-N	-1	0	284.268	0.375	20	30		CCEDRM
CCOC(=O)N1CC[C@H](NC(=O)[C@@](C)(C#N)CC(=O)[O-])C1	ZINC001590873189	951004667	/nfs/dbraw/zinc/00/46/67/951004667.db2.gz	KIUNVEXIGDEBCG-TVQRCGJNSA-N	-1	0	297.311	0.338	20	30		CCEDRM
CC(C)(CC#N)CNC(=O)c1cn(CC(=O)[O-])nn1	ZINC001602929176	971897097	/nfs/dbraw/zinc/89/70/97/971897097.db2.gz	YDFLSTYAPOTOOK-UHFFFAOYSA-N	-1	0	265.273	0.032	20	30		CCEDRM
C[C@@H]1CCN(C(=O)[C@@](C)(C#N)CC(=O)[O-])C[C@@H]1CO	ZINC001589336425	953995953	/nfs/dbraw/zinc/99/59/53/953995953.db2.gz	LCBPUVIIHSXUQD-GIPNMCIBSA-N	-1	0	268.313	0.468	20	30		CCEDRM
CN(Cc1cc(C#N)cs1)C(=O)COCC(=O)[O-]	ZINC001593755113	954444527	/nfs/dbraw/zinc/44/45/27/954444527.db2.gz	DTNNAJHKSLNMPO-UHFFFAOYSA-N	-1	0	268.294	0.679	20	30		CCEDRM
CN(Cc1cc(C#N)cs1)C(=O)NCCOCC(=O)[O-]	ZINC001593755128	954444795	/nfs/dbraw/zinc/44/47/95/954444795.db2.gz	FKFPCNYDUHECAW-UHFFFAOYSA-N	-1	0	297.336	0.862	20	30		CCEDRM
COC(=O)C1=CC[C@@H](NC(=O)[C@@](C)(C#N)CC(=O)[O-])C1	ZINC001593816522	955005584	/nfs/dbraw/zinc/00/55/84/955005584.db2.gz	QCPXXQXATQIZDN-NOZJJQNGSA-N	-1	0	280.280	0.369	20	30		CCEDRM
C[C@H](CC(=O)[O-])NC(=O)NCCNc1ccc(C#N)cn1	ZINC001589002550	955342223	/nfs/dbraw/zinc/34/22/23/955342223.db2.gz	UWLGLXXKQHZFSS-SECBINFHSA-N	-1	0	291.311	0.528	20	30		CCEDRM
C[C@@H](CN(C)C(=O)NCC1(C#N)CCOCC1)C(=O)[O-]	ZINC001589023183	955488381	/nfs/dbraw/zinc/48/83/81/955488381.db2.gz	CNDFPCFODUELTC-JTQLQIEISA-N	-1	0	283.328	0.669	20	30		CCEDRM
C[C@H](CN1CCOCC1)OC(=O)[C@](C)(C#N)CC(=O)[O-]	ZINC001589038713	955572805	/nfs/dbraw/zinc/57/28/05/955572805.db2.gz	GVVWEZLIEBAJLT-MFKMUULPSA-N	-1	0	284.312	0.255	20	30		CCEDRM
Cn1nc(C(=O)[O-])cc1C(=O)NCCCCC#N	ZINC001594565679	955843234	/nfs/dbraw/zinc/84/32/34/955843234.db2.gz	LMJSICZXOWJCOO-UHFFFAOYSA-N	-1	0	250.258	0.542	20	30		CCEDRM
N#CC1(COC(=O)[C@H]2CO[C@H](CCC(=O)[O-])C2)COC1	ZINC001594604352	956161295	/nfs/dbraw/zinc/16/12/95/956161295.db2.gz	RQLJRGNDKNHZII-NXEZZACHSA-N	-1	0	283.280	0.340	20	30		CCEDRM
N#CCC1(CS(=O)(=O)N[C@H]2C[C@@H](C(=O)[O-])C2)CC1	ZINC001594605407	956165335	/nfs/dbraw/zinc/16/53/35/956165335.db2.gz	BMDDIUWWUXKURS-DTORHVGOSA-N	-1	0	272.326	0.463	20	30		CCEDRM
N#CCOc1ccccc1C(=O)OCC(=O)C(=O)[O-]	ZINC001594611222	956211990	/nfs/dbraw/zinc/21/19/90/956211990.db2.gz	KCFDYFHKRWWMSI-UHFFFAOYSA-N	-1	0	263.205	0.399	20	30		CCEDRM
N#Cc1c(F)cc(C(=O)N[C@]2(C(=O)[O-])CCOC2)cc1F	ZINC001594611834	956222119	/nfs/dbraw/zinc/22/21/19/956222119.db2.gz	HVHFBCRYBVQJKA-CYBMUJFWSA-N	-1	0	296.229	0.810	20	30		CCEDRM
N#C[C@H]1CC[C@@H](NC(=O)[C@@H]2CCCN(CC(=O)[O-])C2=O)C1	ZINC001594611995	956224318	/nfs/dbraw/zinc/22/43/18/956224318.db2.gz	RTJRBLXPGRXQHM-AXFHLTTASA-N	-1	0	293.323	0.118	20	30		CCEDRM
N#Cc1cc(Cl)nc(N2CCO[C@@H](C(=O)[O-])C2)c1	ZINC001594617111	956246913	/nfs/dbraw/zinc/24/69/13/956246913.db2.gz	YFPVKXDGALSHEG-MRVPVSSYSA-N	-1	0	267.672	0.896	20	30		CCEDRM
N#Cc1cc2c(nc1N1CC[C@H](C(=O)[O-])C1)CCOC2	ZINC001594617169	956248415	/nfs/dbraw/zinc/24/84/15/956248415.db2.gz	DSTLASYSKIAISF-VIFPVBQESA-N	-1	0	273.292	0.937	20	30		CCEDRM
N#Cc1ccc([C@H](O)C(=O)NCC2(C(=O)[O-])CCC2)cc1	ZINC001594617905	956256035	/nfs/dbraw/zinc/25/60/35/956256035.db2.gz	QLMKHKUWTOTBAE-LBPRGKRZSA-N	-1	0	288.303	0.963	20	30		CCEDRM
N#Cc1ccc(C(=O)Nc2ncn(CC(=O)[O-])n2)cc1	ZINC001594617985	956257324	/nfs/dbraw/zinc/25/73/24/956257324.db2.gz	WJEXUMRLMKATEN-UHFFFAOYSA-N	-1	0	271.236	0.487	20	30		CCEDRM
N#Cc1cccc(C(=O)O[C@@H]2CCN(CC(=O)[O-])C2=O)c1	ZINC001594625491	956310818	/nfs/dbraw/zinc/31/08/18/956310818.db2.gz	JNSGTXKQNQUZQY-LLVKDONJSA-N	-1	0	288.259	0.401	20	30		CCEDRM
N#Cc1ccc2c(c1)CCN2C(=O)[C@H]1CC(C(=O)[O-])=NO1	ZINC001594627642	956323665	/nfs/dbraw/zinc/32/36/65/956323665.db2.gz	SBPFMRWEFCOYDJ-GFCCVEGCSA-N	-1	0	285.259	0.677	20	30		CCEDRM
N#Cc1cnc(CNc2ccn(CC(=O)[O-])n2)nc1	ZINC001594633061	956356629	/nfs/dbraw/zinc/35/66/29/956356629.db2.gz	LHPHSQMITSNEDF-UHFFFAOYSA-N	-1	0	258.241	0.241	20	30		CCEDRM
C[C@H](OC(=O)[C@@H]1CC[C@@H]1C(=O)[O-])C(=O)N(C)CCC#N	ZINC001589159291	956394223	/nfs/dbraw/zinc/39/42/23/956394223.db2.gz	KDIFOVNLAPNYCN-LPEHRKFASA-N	-1	0	282.296	0.401	20	30		CCEDRM
C[C@@H](OC(=O)[C@](C)(C#N)CC(=O)[O-])c1nncn1C	ZINC001589159407	956395478	/nfs/dbraw/zinc/39/54/78/956395478.db2.gz	TWJDTIXQLHYYQF-HQJQHLMTSA-N	-1	0	266.257	0.424	20	30		CCEDRM
C[C@@H](Oc1ccccc1C#N)C(=O)OCC(=O)C(=O)[O-]	ZINC001589169326	956456914	/nfs/dbraw/zinc/45/69/14/956456914.db2.gz	ZYUHIZQELAGLJW-MRVPVSSYSA-N	-1	0	277.232	0.522	20	30		CCEDRM
COC[C@@]1(C(=O)[O-])CCN(C(=O)C#CC(C)C)C1	ZINC001593959184	956469605	/nfs/dbraw/zinc/46/96/05/956469605.db2.gz	SWBBHUABPDAFOK-CYBMUJFWSA-N	-1	0	253.298	0.596	20	30		CCEDRM
CC1(C#N)CCN(C(=O)[C@H]2CC(C(=O)[O-])=NO2)CC1	ZINC001589181425	956522848	/nfs/dbraw/zinc/52/28/48/956522848.db2.gz	IFCVAHBJLAEOKL-SECBINFHSA-N	-1	0	265.269	0.368	20	30		CCEDRM
CC1(C#N)CCN(CCS(=O)(=O)CC(=O)[O-])CC1	ZINC001589181415	956523234	/nfs/dbraw/zinc/52/32/34/956523234.db2.gz	HXUDERDJBFBTRO-UHFFFAOYSA-N	-1	0	274.342	0.111	20	30		CCEDRM
C[C@@H](CN(C)C(=O)C(=O)N(C)CC(C)(C)C#N)C(=O)[O-]	ZINC001603144760	972240281	/nfs/dbraw/zinc/24/02/81/972240281.db2.gz	FAUNKTBXGGBRAH-VIFPVBQESA-N	-1	0	283.328	0.174	20	30		CCEDRM
C#CCN1CCN(C(=O)CCCCC(=O)[O-])CC1	ZINC000037835449	957331783	/nfs/dbraw/zinc/33/17/83/957331783.db2.gz	VWVZHLLLYQMJDF-UHFFFAOYSA-N	-1	0	252.314	0.409	20	30		CCEDRM
C#C[C@H](OC(=O)[C@@H]1CCCN(CC(=O)[O-])C1=O)C1CC1	ZINC001588385238	957968619	/nfs/dbraw/zinc/96/86/19/957968619.db2.gz	BHKOIMQINWLXBY-MNOVXSKESA-N	-1	0	279.292	0.265	20	30		CCEDRM
C#C[C@@H]1CCCCN1C(=O)C(=O)NC[C@H](CC)C(=O)[O-]	ZINC001588385985	957974832	/nfs/dbraw/zinc/97/48/32/957974832.db2.gz	MLAVVAUWQCIJKK-WDEREUQCSA-N	-1	0	280.324	0.228	20	30		CCEDRM
C#C[C@H](NC(=O)[C@@H]1CC(C(=O)[O-])=NO1)c1ccccc1	ZINC001588387366	957987949	/nfs/dbraw/zinc/98/79/49/957987949.db2.gz	HUSFSEBLGILNFR-JQWIXIFHSA-N	-1	0	272.260	0.707	20	30		CCEDRM
C#C[C@@H](C)N(C)C(=O)C(=O)Nc1ccccc1CC(=O)[O-]	ZINC001588388766	957999698	/nfs/dbraw/zinc/99/96/98/957999698.db2.gz	ZQEMPQUAASTMOK-SNVBAGLBSA-N	-1	0	288.303	0.732	20	30		CCEDRM
C#CCN(C(=O)C(=O)N1CCC[C@H](CC(=O)[O-])C1)C(C)C	ZINC001588395273	958040212	/nfs/dbraw/zinc/04/02/12/958040212.db2.gz	FCVOENDEXVBHAH-GFCCVEGCSA-N	-1	0	294.351	0.570	20	30		CCEDRM
C#CCCn1nnnc1N1CCC[C@H](CC(=O)[O-])C1	ZINC001588396566	958051528	/nfs/dbraw/zinc/05/15/28/958051528.db2.gz	VETHCPQKRHXKSH-SNVBAGLBSA-N	-1	0	263.301	0.388	20	30		CCEDRM
C#CCN(CC(=O)[O-])C(=O)[C@H](Cc1ccccc1)OC	ZINC001588397388	958056074	/nfs/dbraw/zinc/05/60/74/958056074.db2.gz	GQCQLBDAPSSHFB-ZDUSSCGKSA-N	-1	0	275.304	0.791	20	30		CCEDRM
C#CCN(CC(=O)[O-])C(=O)/C=C/c1ccc(OC)c(O)c1	ZINC001588399681	958073980	/nfs/dbraw/zinc/07/39/80/958073980.db2.gz	NPSFVTORWJAJLT-FNORWQNLSA-N	-1	0	289.287	0.960	20	30		CCEDRM
C#CCN(CC(=O)[O-])C(=O)N[C@@H](C)C[C@@H]1CCOC1	ZINC001588406735	958095850	/nfs/dbraw/zinc/09/58/50/958095850.db2.gz	DIWKQDKMBPVBKR-QWRGUYRKSA-N	-1	0	268.313	0.531	20	30		CCEDRM
C#CCN(CC(=O)[O-])C(=O)N[C@](C)(COC)C(F)(F)F	ZINC001588407450	958099676	/nfs/dbraw/zinc/09/96/76/958099676.db2.gz	NOBYSWUSSSJGDF-SNVBAGLBSA-N	-1	0	296.245	0.683	20	30		CCEDRM
C#CCN(CC(=O)[O-])C(=O)NCC1(C(=O)NCC)CCC1	ZINC001588408193	958104341	/nfs/dbraw/zinc/10/43/41/958104341.db2.gz	AIIIZHAAMXKGKP-UHFFFAOYSA-N	-1	0	295.339	0.022	20	30		CCEDRM
C#CCN(CC(=O)[O-])C(=O)NCc1ccnc(NCC)c1	ZINC001588408788	958117631	/nfs/dbraw/zinc/11/76/31/958117631.db2.gz	DZJTVOQGRCZNNO-UHFFFAOYSA-N	-1	0	290.323	0.743	20	30		CCEDRM
C#CCN(CC(=O)[O-])C(=O)N[C@@]1(C)CC(C)(C)OC1=O	ZINC001588409151	958124571	/nfs/dbraw/zinc/12/45/71/958124571.db2.gz	CJNLHZTYXNKPLC-ZDUSSCGKSA-N	-1	0	282.296	0.200	20	30		CCEDRM
C#CCN(CC(=O)[O-])C(=O)c1snnc1C1CC1	ZINC001588419906	958196450	/nfs/dbraw/zinc/19/64/50/958196450.db2.gz	HKSMFUHLBSWAJR-UHFFFAOYSA-N	-1	0	265.294	0.576	20	30		CCEDRM
C#CCN(CC(=O)[O-])Cc1cn(C(C)(C)C)nn1	ZINC001588425115	958222612	/nfs/dbraw/zinc/22/26/12/958222612.db2.gz	FFFVOLNEOPIEFE-UHFFFAOYSA-N	-1	0	250.302	0.553	20	30		CCEDRM
N#CCc1ccc(NC(=O)NCCOCC(=O)[O-])cc1	ZINC000093230020	958240852	/nfs/dbraw/zinc/24/08/52/958240852.db2.gz	UWGPPOHQKVIDRD-UHFFFAOYSA-N	-1	0	277.280	0.975	20	30		CCEDRM
C#CCN(CC(=O)[O-])c1nnc(C(C)(C)C#N)n1CC=C	ZINC001588427449	958245406	/nfs/dbraw/zinc/24/54/06/958245406.db2.gz	YGALYTWIORCIDO-UHFFFAOYSA-N	-1	0	287.323	0.789	20	30		CCEDRM
C#CCN1CCCN(C(=O)CCCCC(=O)[O-])CC1	ZINC001588431320	958268716	/nfs/dbraw/zinc/26/87/16/958268716.db2.gz	WGFDGMGVCSZMTQ-UHFFFAOYSA-N	-1	0	266.341	0.799	20	30		CCEDRM
C#Cc1ccc(C(=O)NC2(C(=O)[O-])CCOCC2)cn1	ZINC001588433244	958294039	/nfs/dbraw/zinc/29/40/39/958294039.db2.gz	OANPBWGBUNGNFR-UHFFFAOYSA-N	-1	0	274.276	0.427	20	30		CCEDRM
C=C(C)[C@H](C)OC(=O)[C@@H]1CCCN(CC(=O)[O-])C1=O	ZINC001588439489	958319404	/nfs/dbraw/zinc/31/94/04/958319404.db2.gz	ORHVENSYVFMEDK-VHSXEESVSA-N	-1	0	269.297	0.817	20	30		CCEDRM
C=C(CO)C(=O)N1Cc2ccccc2[C@@H](C(=O)[O-])C1	ZINC001588445537	958373204	/nfs/dbraw/zinc/37/32/04/958373204.db2.gz	KKXWRXBMYFUCNY-LBPRGKRZSA-N	-1	0	261.277	0.746	20	30		CCEDRM
COc1ccc(CNC(=O)[C@](C)(C#N)CC(=O)[O-])nc1	ZINC001594093985	958383797	/nfs/dbraw/zinc/38/37/97/958383797.db2.gz	FAFMITPMTRUOSU-ZDUSSCGKSA-N	-1	0	277.280	0.711	20	30		CCEDRM
C=CC[C@H](CO)NC(=O)[C@H](C(=O)[O-])C1CCCC1	ZINC001588453121	958431651	/nfs/dbraw/zinc/43/16/51/958431651.db2.gz	OAXQLGYHJXQWCR-GHMZBOCLSA-N	-1	0	255.314	0.931	20	30		CCEDRM
C=C[C@H](COC)NC(=O)Nc1ccn(CC(=O)[O-])n1	ZINC001588453367	958436385	/nfs/dbraw/zinc/43/63/85/958436385.db2.gz	XTJPLPJTAJFCLV-MRVPVSSYSA-N	-1	0	268.273	0.290	20	30		CCEDRM
C=CCCCCNC(=O)[C@H]1CCCN(CC(=O)[O-])C1=O	ZINC001588458940	958468298	/nfs/dbraw/zinc/46/82/98/958468298.db2.gz	XOYMVTMNRHIHJW-LLVKDONJSA-N	-1	0	282.340	0.782	20	30		CCEDRM
C=CCCN(C)C(=O)N[C@@H]1CCCCN(CC(=O)[O-])C1=O	ZINC001588459745	958468323	/nfs/dbraw/zinc/46/83/23/958468323.db2.gz	BDBOWXSVIGPKGR-LLVKDONJSA-N	-1	0	297.355	0.670	20	30		CCEDRM
C#CCN(CC(=O)[O-])C[C@@H](O)P(=O)(OCC)OCC	ZINC001573320754	958478685	/nfs/dbraw/zinc/47/86/85/958478685.db2.gz	NCJHCAMQPVDTII-NSHDSACASA-N	-1	0	293.256	0.591	20	30		CCEDRM
C=CCN(CC=C)C(=O)C(=O)N(C)C[C@@H](C)C(=O)[O-]	ZINC001588463344	958483106	/nfs/dbraw/zinc/48/31/06/958483106.db2.gz	NGIDRCRNBUMXJT-SNVBAGLBSA-N	-1	0	268.313	0.366	20	30		CCEDRM
C=CCOCC(=O)O[C@@H]1CCCCN(CC(=O)[O-])C1=O	ZINC001588465014	958494682	/nfs/dbraw/zinc/49/46/82/958494682.db2.gz	CDFYILMZXRENQM-SNVBAGLBSA-N	-1	0	285.296	0.198	20	30		CCEDRM
C=CCOC[C@@H](NC(=O)CCCC(=O)[O-])C(=O)OC	ZINC001588465095	958496652	/nfs/dbraw/zinc/49/66/52/958496652.db2.gz	IIPIWQOYNFDFOT-SECBINFHSA-N	-1	0	273.285	0.102	20	30		CCEDRM
C=CCNC(=O)CNC(=O)/C=C\c1ccc(C(=O)[O-])o1	ZINC001588465350	958502129	/nfs/dbraw/zinc/50/21/29/958502129.db2.gz	DMLMLRAGEFIJMB-XQRVVYSFSA-N	-1	0	278.264	0.409	20	30		CCEDRM
C=CCNC(=S)NN=Cc1c(C(=O)[O-])cnn1C	ZINC001588465320	958502157	/nfs/dbraw/zinc/50/21/57/958502157.db2.gz	BNMMSLOMEGSAMS-UHFFFAOYSA-N	-1	0	267.314	0.102	20	30		CCEDRM
C=CCOCCn1nnnc1N1CCC[C@H](CC(=O)[O-])C1	ZINC001588466366	958509779	/nfs/dbraw/zinc/50/97/79/958509779.db2.gz	LVZYCGPTZUTEOQ-LLVKDONJSA-N	-1	0	295.343	0.567	20	30		CCEDRM
C=CCn1c([C@H](O)COC)nnc1N1CC[C@@H](C(=O)[O-])C1	ZINC001588472131	958540950	/nfs/dbraw/zinc/54/09/50/958540950.db2.gz	JWWMPGVGWHEJRF-NXEZZACHSA-N	-1	0	296.327	0.055	20	30		CCEDRM
C=CCn1c(N2CCC(C(=O)[O-])CC2)nnc1C(C)(C)O	ZINC001588473083	958549708	/nfs/dbraw/zinc/54/97/08/958549708.db2.gz	XEJNOPBSJPSDRR-UHFFFAOYSA-N	-1	0	294.355	0.993	20	30		CCEDRM
C=CCn1c([C@H](C)O)nnc1N1CCC(C(=O)[O-])CC1	ZINC001588474731	958558984	/nfs/dbraw/zinc/55/89/84/958558984.db2.gz	NXBKSLCHYFKRSI-VIFPVBQESA-N	-1	0	280.328	0.818	20	30		CCEDRM
C=C[C@@H]1OCC[C@H]1NC(=O)N[C@H]1CCC[C@H]1C(=O)[O-]	ZINC001588478337	958563880	/nfs/dbraw/zinc/56/38/80/958563880.db2.gz	HLUXBQVFHFLJFR-YTWAJWBKSA-N	-1	0	268.313	0.882	20	30		CCEDRM
CC#CCCCC(=O)N(CCNC(C)=O)[C@@H](C)C(=O)[O-]	ZINC001588478510	958567865	/nfs/dbraw/zinc/56/78/65/958567865.db2.gz	DFLHDFMRCWJVID-NSHDSACASA-N	-1	0	282.340	0.618	20	30		CCEDRM
CC#CCCNC(=O)[C@H]1CO[C@@H](CCC(=O)[O-])C1	ZINC001588478827	958573799	/nfs/dbraw/zinc/57/37/99/958573799.db2.gz	MDMJRGXIGIKEAQ-MNOVXSKESA-N	-1	0	253.298	0.786	20	30		CCEDRM
CC#CCn1nnnc1N1C[C@@H](C)C[C@H](C(=O)[O-])C1	ZINC001588480253	958584815	/nfs/dbraw/zinc/58/48/15/958584815.db2.gz	MZRJQASITMESNU-UWVGGRQHSA-N	-1	0	263.301	0.243	20	30		CCEDRM
C[C@@H](C#N)CN(C(=O)c1cn(CC(=O)[O-])nn1)C1CC1	ZINC001573362324	958596910	/nfs/dbraw/zinc/59/69/10/958596910.db2.gz	ACJPGWRCLCQDQH-QMMMGPOBSA-N	-1	0	277.284	0.127	20	30		CCEDRM
C[C@@H](C(=O)N1[C@H](C)CCC[C@@H]1C(=O)[O-])n1cnc(C#N)n1	ZINC001573363096	958605189	/nfs/dbraw/zinc/60/51/89/958605189.db2.gz	HWMUQXFILZWMTH-KXUCPTDWSA-N	-1	0	291.311	0.565	20	30		CCEDRM
C[C@@](C#N)(CC(=O)[O-])C(=O)Nc1ncc2c(n1)COC2	ZINC001573364495	958615483	/nfs/dbraw/zinc/61/54/83/958615483.db2.gz	ORNICOHBYGHMRB-LBPRGKRZSA-N	-1	0	276.252	0.450	20	30		CCEDRM
Cc1cccc(C#N)c1S(=O)(=O)NC[C@@H](C)C(=O)[O-]	ZINC001594386896	958685718	/nfs/dbraw/zinc/68/57/18/958685718.db2.gz	OJZXPLRHOHZBLP-SECBINFHSA-N	-1	0	282.321	0.866	20	30		CCEDRM
Cc1nc([C@H](C)NC(=O)[C@@](C)(C#N)CC(=O)[O-])no1	ZINC001594449979	959361067	/nfs/dbraw/zinc/36/10/67/959361067.db2.gz	VEELDMGRKOIKCF-UPONEAKYSA-N	-1	0	266.257	0.560	20	30		CCEDRM
CC(C)(C#N)CNC(=O)C(=O)Nc1cncc(C(=O)[O-])c1	ZINC001588607800	959495306	/nfs/dbraw/zinc/49/53/06/959495306.db2.gz	RJENUEBBTDINJF-UHFFFAOYSA-N	-1	0	290.279	0.384	20	30		CCEDRM
CC(C)(C)[C@@H](C(=O)[O-])C(=O)N1CCN(C2CC2)[C@H](C#N)C1	ZINC001588632634	959623919	/nfs/dbraw/zinc/62/39/19/959623919.db2.gz	WONYIAMHHHNNPT-VXGBXAGGSA-N	-1	0	293.367	0.932	20	30		CCEDRM
Cc1c(C#N)c(NC(=O)c2ccc(C(=O)[O-])nc2)nn1C	ZINC001594252846	959625986	/nfs/dbraw/zinc/62/59/86/959625986.db2.gz	GTJZIFJQEGJXJK-UHFFFAOYSA-N	-1	0	285.263	0.946	20	30		CCEDRM
C[C@](O)(CNC(=O)c1ccc(C#N)c(Cl)c1)C(=O)[O-]	ZINC001603261903	972447277	/nfs/dbraw/zinc/44/72/77/972447277.db2.gz	UICLUVQVYJQHRT-LBPRGKRZSA-N	-1	0	282.683	0.777	20	30		CCEDRM
C[C@H](OC(=O)[C@H](C(=O)[O-])C1CC1)C(=O)NC1(C#N)CCC1	ZINC001603268952	972472820	/nfs/dbraw/zinc/47/28/20/972472820.db2.gz	QYOQSCJSMBVGGP-WPRPVWTQSA-N	-1	0	294.307	0.591	20	30		CCEDRM
N#CCCN(CCCC(=O)[O-])CCN1CCOCC1	ZINC001574241802	960465658	/nfs/dbraw/zinc/46/56/58/960465658.db2.gz	QCYWTQSNDVRZOS-UHFFFAOYSA-N	-1	0	269.345	0.399	20	30		CCEDRM
N#Cc1ccc(NCC(=O)N[C@H]2CCC[C@H]2C(=O)[O-])nc1	ZINC001574250193	960507573	/nfs/dbraw/zinc/50/75/73/960507573.db2.gz	USEDSJQSNLXVFR-MNOVXSKESA-N	-1	0	288.307	0.735	20	30		CCEDRM
Cc1c(C#N)cccc1NC(=O)c1cn(CC(=O)[O-])nn1	ZINC001574296946	960697738	/nfs/dbraw/zinc/69/77/38/960697738.db2.gz	UBXNLOXXJVMYAH-UHFFFAOYSA-N	-1	0	285.263	0.795	20	30		CCEDRM
CCC[C@@H](CCO)CNC(=O)[C@@](C)(C#N)CC(=O)[O-]	ZINC001573836404	961056361	/nfs/dbraw/zinc/05/63/61/961056361.db2.gz	SJKKQXRDHZODJS-GXFFZTMASA-N	-1	0	270.329	0.906	20	30		CCEDRM
Cn1cc(C#N)c(NC(=O)[C@@H]2CO[C@H](CCC(=O)[O-])C2)n1	ZINC001574449081	961463031	/nfs/dbraw/zinc/46/30/31/961463031.db2.gz	HLPZFQNKCHCBIG-WCBMZHEXSA-N	-1	0	292.295	0.500	20	30		CCEDRM
N#Cc1ccc(NC(=O)N2CCO[C@H](C(=O)[O-])C2)nc1	ZINC001574488156	961692537	/nfs/dbraw/zinc/69/25/37/961692537.db2.gz	LOLCYMDGFGICCA-VIFPVBQESA-N	-1	0	276.252	0.271	20	30		CCEDRM
CN(C(=O)c1cn(CC(=O)[O-])nn1)[C@H]1CCC[C@H]1C#N	ZINC001573982570	961773651	/nfs/dbraw/zinc/77/36/51/961773651.db2.gz	ABBJHRNWBPKZGO-WPRPVWTQSA-N	-1	0	277.284	0.127	20	30		CCEDRM
COC(=O)C[C@@H](C)NC(=O)[C@@](C)(C#N)CC(=O)[O-]	ZINC001574069395	962240810	/nfs/dbraw/zinc/24/08/10/962240810.db2.gz	AUMCXADRWKRYCE-RDDDGLTNSA-N	-1	0	256.258	0.059	20	30		CCEDRM
CC(C)[C@@H](NC(=O)C(=O)Nc1cccc(C#N)n1)C(=O)[O-]	ZINC001588942725	962547829	/nfs/dbraw/zinc/54/78/29/962547829.db2.gz	BBABZZAOCGXBTQ-SNVBAGLBSA-N	-1	0	290.279	0.117	20	30		CCEDRM
COCC[C@H](COC)NC(=O)[C@@](C)(C#N)CC(=O)[O-]	ZINC001574142866	962595623	/nfs/dbraw/zinc/59/56/23/962595623.db2.gz	GDPHTGJQKYHJSX-BXKDBHETSA-N	-1	0	272.301	0.159	20	30		CCEDRM
COCC[C@@H](COC)NC(=O)[C@@](C)(C#N)CC(=O)[O-]	ZINC001574142868	962596556	/nfs/dbraw/zinc/59/65/56/962596556.db2.gz	GDPHTGJQKYHJSX-JOYOIKCWSA-N	-1	0	272.301	0.159	20	30		CCEDRM
C#CCCN(CCOC)C(=O)CC[C@@H]1C[C@H](C(=O)[O-])CO1	ZINC001573302445	962653868	/nfs/dbraw/zinc/65/38/68/962653868.db2.gz	WDWHSKJXRRMWLR-QWHCGFSZSA-N	-1	0	297.351	0.755	20	30		CCEDRM
C#CC[C@@H](NC(=O)c1ccc2n[nH]c(=S)n2c1)C(=O)[O-]	ZINC001573302650	962659017	/nfs/dbraw/zinc/65/90/17/962659017.db2.gz	DDEHSZXRMDWJCF-MRVPVSSYSA-N	-1	0	290.304	0.224	20	30		CCEDRM
C#CC[C@H](NC(=O)Cc1nccc(OCCC)n1)C(=O)[O-]	ZINC001573303502	962677427	/nfs/dbraw/zinc/67/74/27/962677427.db2.gz	YLYPQRAEPVBYQM-JTQLQIEISA-N	-1	0	291.307	0.401	20	30		CCEDRM
C=C(Br)CN(C)CCNC(=O)CNC(=O)[O-]	ZINC001573314140	962743306	/nfs/dbraw/zinc/74/33/06/962743306.db2.gz	YRIHGIDELLLRSS-UHFFFAOYSA-N	-1	0	294.149	0.211	20	30		CCEDRM
C[C@@H](CC#N)C(=O)N[C@H](Cc1ccncc1)C(=O)[O-]	ZINC001588988243	962777257	/nfs/dbraw/zinc/77/72/57/962777257.db2.gz	XZDFUKKFNBNMJR-GXSJLCMTSA-N	-1	0	261.281	0.743	20	30		CCEDRM
C=C(C)C[C@@H](NC(=O)c1cn(C[C@H](O)CC)nn1)C(=O)[O-]	ZINC001573323941	962778109	/nfs/dbraw/zinc/77/81/09/962778109.db2.gz	JLZKCVNOKZCGSP-NXEZZACHSA-N	-1	0	296.327	0.198	20	30		CCEDRM
C=C(CCC(=O)[O-])C(=O)N(C)C[C@@H]1COCCO1	ZINC001573325983	962801239	/nfs/dbraw/zinc/80/12/39/962801239.db2.gz	PZSFTFGWEQEVGA-SNVBAGLBSA-N	-1	0	257.286	0.281	20	30		CCEDRM
C#CC[C@H](NS(=O)(=O)c1c(C)cccc1F)C(=O)[O-]	ZINC000275038695	962815889	/nfs/dbraw/zinc/81/58/89/962815889.db2.gz	QUZCTZKLTDPWAF-JTQLQIEISA-N	-1	0	285.296	0.889	20	30		CCEDRM
C=C(CCC(=O)[O-])C(=O)NC[C@@H]1CCN(C)C(=O)C1	ZINC001573332041	962821827	/nfs/dbraw/zinc/82/18/27/962821827.db2.gz	CPCNSGUABSUIGF-SNVBAGLBSA-N	-1	0	268.313	0.392	20	30		CCEDRM
C[C@H](CC(=O)[O-])NC(=O)[C@H](O)c1ccc(C#N)cc1	ZINC001588993953	962821805	/nfs/dbraw/zinc/82/18/05/962821805.db2.gz	XRRXLRURECXXIC-PRHODGIISA-N	-1	0	262.265	0.571	20	30		CCEDRM
C=C(CCC(=O)[O-])C(=O)N1CC[C@H](C(=O)OC)[C@H]1C	ZINC001573332078	962824755	/nfs/dbraw/zinc/82/47/55/962824755.db2.gz	IAQUNCKIDDBESQ-ZJUUUORDSA-N	-1	0	269.297	0.817	20	30		CCEDRM
C=C(CCC(=O)[O-])C(=O)N[C@@H](CO)[C@H](O)c1cccnc1	ZINC001573333115	962851409	/nfs/dbraw/zinc/85/14/09/962851409.db2.gz	VLTFSSCZZRIGNH-WCQYABFASA-N	-1	0	294.307	0.013	20	30		CCEDRM
C=C(Cl)CN1CC(CNC(=O)CNC(=O)[O-])C1	ZINC001573339666	962892886	/nfs/dbraw/zinc/89/28/86/962892886.db2.gz	VESQZISJJLBLAZ-UHFFFAOYSA-N	-1	0	261.709	0.055	20	30		CCEDRM
C=C(Cl)CN1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CNC(=O)[O-]	ZINC001573343533	962905643	/nfs/dbraw/zinc/90/56/43/962905643.db2.gz	GXTGKHHJQWTCES-MBTKJCJQSA-N	-1	0	273.720	0.053	20	30		CCEDRM
C=C(Cn1cc([N+](=O)[O-])c(C(=O)[O-])n1)C(=O)OCC	ZINC001573344283	962914289	/nfs/dbraw/zinc/91/42/89/962914289.db2.gz	RSKXGIAOZUTHAJ-UHFFFAOYSA-N	-1	0	269.213	0.609	20	30		CCEDRM
C=C[C@@](C)(CC)C(=O)N1CC[C@@H](NC(=O)CNC(=O)[O-])C1	ZINC001573346972	962944089	/nfs/dbraw/zinc/94/40/89/962944089.db2.gz	IFRUGKJVCGXXHB-YGRLFVJLSA-N	-1	0	297.355	0.573	20	30		CCEDRM
C=CC(C)(C)CC(=O)N[C@@H](CC)CNC(=O)CNC(=O)[O-]	ZINC001573347564	962949298	/nfs/dbraw/zinc/94/92/98/962949298.db2.gz	LWWSDLVPCFNOCS-JTQLQIEISA-N	-1	0	299.371	0.867	20	30		CCEDRM
C=C[C@@H](O)C(=O)Nc1ccc2[nH]nc(C(=O)[O-])c2c1	ZINC001573348121	962955342	/nfs/dbraw/zinc/95/53/42/962955342.db2.gz	SQZKZHVWCSNRTB-SECBINFHSA-N	-1	0	261.237	0.747	20	30		CCEDRM
C=CCCCC(=O)NC[C@@H]1CCCN1C(=O)CNC(=O)[O-]	ZINC001573357705	963020615	/nfs/dbraw/zinc/02/06/15/963020615.db2.gz	RAPWIZCUTGZOEZ-NSHDSACASA-N	-1	0	297.355	0.718	20	30		CCEDRM
C[C@@H](C(=O)NC(C)(C)CC(=O)[O-])n1cnc(C#N)n1	ZINC001573363742	963047486	/nfs/dbraw/zinc/04/74/86/963047486.db2.gz	MISALIWZCWJAMP-ZETCQYMHSA-N	-1	0	265.273	0.080	20	30		CCEDRM
N#Cc1ccc(C(=O)NC[C@@]2(C(=O)[O-])CCOC2)cn1	ZINC001571002327	963222031	/nfs/dbraw/zinc/22/20/31/963222031.db2.gz	UERAWKYWERFHNQ-ZDUSSCGKSA-N	-1	0	275.264	0.174	20	30		CCEDRM
COc1ccc(C(=O)[O-])cc1CN1CC(O)(CC#N)C1	ZINC001571005624	963241340	/nfs/dbraw/zinc/24/13/40/963241340.db2.gz	RMJJAKXIIHSPBW-UHFFFAOYSA-N	-1	0	276.292	0.854	20	30		CCEDRM
CC[C@](C)(NS(=O)(=O)c1cnc(C)c(C#N)c1)C(=O)[O-]	ZINC000312295261	963551804	/nfs/dbraw/zinc/55/18/04/963551804.db2.gz	ACDFHHGFNUECTP-LBPRGKRZSA-N	-1	0	297.336	0.793	20	30		CCEDRM
C#CCCCC(=O)N1C[C@@H](C(=O)OC)CC[C@H]1C(=O)[O-]	ZINC001588435324	964020084	/nfs/dbraw/zinc/02/00/84/964020084.db2.gz	LQNUZWLVYVMDHG-QWRGUYRKSA-N	-1	0	281.308	0.655	20	30		CCEDRM
C#CCCCC(=O)N(CC)CCNC(=O)[C@@H]1C[C@@H]1C(=O)[O-]	ZINC001588435280	964020105	/nfs/dbraw/zinc/02/01/05/964020105.db2.gz	JCWJUPLKWUAJDH-NEPJUHHUSA-N	-1	0	294.351	0.475	20	30		CCEDRM
C#CCCCCNC(=O)C(=O)N1CCC[C@H]1CC(=O)[O-]	ZINC001588441520	964053035	/nfs/dbraw/zinc/05/30/35/964053035.db2.gz	HRKYNFOVDAYUFR-NSHDSACASA-N	-1	0	280.324	0.372	20	30		CCEDRM
C=C(CCC(=O)OC)C(=O)Nc1c[nH]nc1C(=O)[O-]	ZINC001588444761	964065775	/nfs/dbraw/zinc/06/57/75/964065775.db2.gz	QVVHGJPJPVIKOS-UHFFFAOYSA-N	-1	0	267.241	0.556	20	30		CCEDRM
C#CCCCS(=O)(=O)NCc1ccoc1C(=O)[O-]	ZINC001588446226	964069653	/nfs/dbraw/zinc/06/96/53/964069653.db2.gz	AXLDVIOANZFQJF-UHFFFAOYSA-N	-1	0	271.294	0.811	20	30		CCEDRM
C#CCCCCNS(=O)(=O)c1cncc(C(=O)[O-])c1	ZINC001588446411	964072465	/nfs/dbraw/zinc/07/24/65/964072465.db2.gz	KORFVRZPJJIOHT-UHFFFAOYSA-N	-1	0	282.321	0.862	20	30		CCEDRM
C#CCCCS(=O)(=O)N[C@H]1C[C@H]2C[C@H](C(=O)[O-])C[C@H]21	ZINC001588446828	964078557	/nfs/dbraw/zinc/07/85/57/964078557.db2.gz	MCQOIIQUYXUBFK-KXNHARMFSA-N	-1	0	285.365	0.819	20	30		CCEDRM
C#CCN(CC(=O)[O-])CC(=O)Nc1ccccc1OC	ZINC000092482180	967595517	/nfs/dbraw/zinc/59/55/17/967595517.db2.gz	FAJGLPUDBBEHIE-UHFFFAOYSA-N	-1	0	276.292	0.654	20	30		CCEDRM
COc1cc(CN2CCO[C@H](C(=O)[O-])C2)ccc1C#N	ZINC000234989096	967757921	/nfs/dbraw/zinc/75/79/21/967757921.db2.gz	QDNMWKVJKQCCQN-ZDUSSCGKSA-N	-1	0	276.292	0.852	20	30		CCEDRM
C=CCOCCNC(=O)N[C@H]1CCC[C@H]1C(=O)[O-]	ZINC000310773780	967945021	/nfs/dbraw/zinc/94/50/21/967945021.db2.gz	OZWLKACNMGNANP-ZJUUUORDSA-N	-1	0	256.302	0.742	20	30		CCEDRM
C#C[C@@H](CC)NC(=O)N1CC[C@](COC)(C(=O)[O-])C1	ZINC000311868574	967953218	/nfs/dbraw/zinc/95/32/18/967953218.db2.gz	LIJTVNKJMKAOQG-GWCFXTLKSA-N	-1	0	268.313	0.531	20	30		CCEDRM
O=C([O-])CCC1CCN(C(=O)NCC#CCO)CC1	ZINC001595020031	970285782	/nfs/dbraw/zinc/28/57/82/970285782.db2.gz	IUQZJHVMPOTRID-UHFFFAOYSA-N	-1	0	268.313	0.269	20	30		CCEDRM
C=C(C)CN(CC)C(=O)C(=O)N1CCC(C(=O)[O-])CC1	ZINC001609626346	970428138	/nfs/dbraw/zinc/42/81/38/970428138.db2.gz	VIOTVGMVVQEPNS-UHFFFAOYSA-N	-1	0	282.340	0.734	20	30		CCEDRM
C[C@](C#N)(CC(=O)[O-])C(=O)NCCC1(C)OCCO1	ZINC001610053925	970649051	/nfs/dbraw/zinc/64/90/51/970649051.db2.gz	NDAQBZDQRCPCPI-LLVKDONJSA-N	-1	0	270.285	0.260	20	30		CCEDRM
CC1(C)C[C@]1(C(=O)[O-])C(=O)N1CCO[C@](C)(C#N)C1	ZINC001603290485	972546528	/nfs/dbraw/zinc/54/65/28/972546528.db2.gz	NWJAHOGUIFBSSQ-CHWSQXEVSA-N	-1	0	266.297	0.628	20	30		CCEDRM
C[C@H]1CN(C(=O)[C@@H]2CC[C@@H]2C(=O)[O-])C[C@H](C)N1CC#N	ZINC001603451406	973263267	/nfs/dbraw/zinc/26/32/67/973263267.db2.gz	VXHQTSAWVKUNFC-YFKTTZPYSA-N	-1	0	279.340	0.542	20	30		CCEDRM
CCC#CCOC(=O)c1cccn(CC(=O)[O-])c1=O	ZINC001603485772	973402148	/nfs/dbraw/zinc/40/21/48/973402148.db2.gz	DUYMOQLVQSPXIH-UHFFFAOYSA-N	-1	0	263.249	0.503	20	30		CCEDRM
C#CCCCCNC(=O)N1C[C@H](O)C[C@@H](C(=O)[O-])C1	ZINC000401833007	973431151	/nfs/dbraw/zinc/43/11/51/973431151.db2.gz	JOGXXXABTNBGMN-GHMZBOCLSA-N	-1	0	268.313	0.267	20	30		CCEDRM
Cc1oc(C#N)cc1C(=O)Nc1cnn(CC(=O)[O-])c1	ZINC001605455139	973541598	/nfs/dbraw/zinc/54/15/98/973541598.db2.gz	ZXTSXJMSSUTOSY-UHFFFAOYSA-N	-1	0	274.236	0.993	20	30		CCEDRM
COC[C@]1(C(=O)[O-])CN(C(=O)CCCC#N)CCO1	ZINC001604550262	973553834	/nfs/dbraw/zinc/55/38/34/973553834.db2.gz	GPHTXEDCXMFCRK-LBPRGKRZSA-N	-1	0	270.285	0.009	20	30		CCEDRM
Cc1cc(C#N)cc(N2C[C@H](C(=O)[O-])C[C@H](O)C2)n1	ZINC000401966377	973572173	/nfs/dbraw/zinc/57/21/73/973572173.db2.gz	FQBPUABKKVPWAP-MNOVXSKESA-N	-1	0	261.281	0.534	20	30		CCEDRM
COC[C@@H]1CN(C(=O)[C@](C)(C#N)CC(=O)[O-])C[C@@H](C)O1	ZINC001604567169	973641772	/nfs/dbraw/zinc/64/17/72/973641772.db2.gz	IRXWEWZBWYBARC-NRUUGDAUSA-N	-1	0	284.312	0.253	20	30		CCEDRM
Cn1nc(C(=O)[O-])cc1C(=O)N1CCC[C@@](C)(C#N)C1	ZINC001605532944	973719225	/nfs/dbraw/zinc/71/92/25/973719225.db2.gz	MGODQRUQPSSVJA-ZDUSSCGKSA-N	-1	0	276.296	0.884	20	30		CCEDRM
Cn1nc(C(=O)[O-])cc1C(=O)N[C@H](C#N)C1CCCC1	ZINC001605534185	973727000	/nfs/dbraw/zinc/72/70/00/973727000.db2.gz	YYRHPFCWCDSGON-SNVBAGLBSA-N	-1	0	276.296	0.930	20	30		CCEDRM
N#CCCCC(=O)N[C@@H](Cc1ccncc1)C(=O)[O-]	ZINC001605581692	973859995	/nfs/dbraw/zinc/85/99/95/973859995.db2.gz	HRMYVJODGFTKQI-NSHDSACASA-N	-1	0	261.281	0.887	20	30		CCEDRM
N#CCCCC(=O)N1C[C@@H]2COC[C@]2(C(=O)[O-])C1	ZINC001605582132	973864316	/nfs/dbraw/zinc/86/43/16/973864316.db2.gz	UFTHBWRJFSVTNS-BXKDBHETSA-N	-1	0	252.270	0.240	20	30		CCEDRM
N#CCN1CCC(CNC(=O)C2(CC(=O)[O-])CCC2)CC1	ZINC001605585495	973875896	/nfs/dbraw/zinc/87/58/96/973875896.db2.gz	CSTPQZTUXGNUEA-UHFFFAOYSA-N	-1	0	293.367	0.983	20	30		CCEDRM
N#Cc1ccc(C(=O)NC2(C(=O)[O-])CCOCC2)cn1	ZINC001605597579	973900361	/nfs/dbraw/zinc/90/03/61/973900361.db2.gz	WUCNWUFEGDBCMH-UHFFFAOYSA-N	-1	0	275.264	0.317	20	30		CCEDRM
N#CCc1ccccc1CC(=O)Nc1ncn(CC(=O)[O-])n1	ZINC001605601619	973906237	/nfs/dbraw/zinc/90/62/37/973906237.db2.gz	YJZJGSIGTFFWIY-UHFFFAOYSA-N	-1	0	299.290	0.610	20	30		CCEDRM
N#Cc1ccncc1C(=O)N1CCC[C@@H](C(=O)[O-])C1	ZINC001605623043	973947680	/nfs/dbraw/zinc/94/76/80/973947680.db2.gz	RNHGIUTYNYENTL-SNVBAGLBSA-N	-1	0	259.265	0.890	20	30		CCEDRM
N#Cc1ncn(CCNc2cccc(C(=O)[O-])n2)n1	ZINC001605626753	973957947	/nfs/dbraw/zinc/95/79/47/973957947.db2.gz	NTQRTFQFHNRGFP-UHFFFAOYSA-N	-1	0	258.241	0.355	20	30		CCEDRM
COc1nccc(COC(=O)[C@](C)(C#N)CC(=O)[O-])n1	ZINC001604906966	974173544	/nfs/dbraw/zinc/17/35/44/974173544.db2.gz	RCSINFKZIMSJEP-LBPRGKRZSA-N	-1	0	279.252	0.533	20	30		CCEDRM
CC(C)[C@@H](C#N)NS(=O)(=O)c1c[nH]c(C(=O)[O-])c1	ZINC001591829189	976090224	/nfs/dbraw/zinc/09/02/24/976090224.db2.gz	HIVSZFIDHXQPDX-SECBINFHSA-N	-1	0	271.298	0.539	20	30		CCEDRM
CC(C)c1nccn1CC(=O)N(CC#N)CC(=O)[O-]	ZINC001592037394	976755862	/nfs/dbraw/zinc/75/58/62/976755862.db2.gz	MVVXUABUHORKFL-UHFFFAOYSA-N	-1	0	264.285	0.443	20	30		CCEDRM
C[C@H](CC#N)NC(=O)Nc1cc(C(=O)[O-])nn1C	ZINC001592222373	977407143	/nfs/dbraw/zinc/40/71/43/977407143.db2.gz	WDGHICVDZDBTAF-ZCFIWIBFSA-N	-1	0	251.246	0.542	20	30		CCEDRM
C[C@H](CC(=O)[O-])CC(=O)N1CCN(CC#N)CC1	ZINC001592375141	977906105	/nfs/dbraw/zinc/90/61/05/977906105.db2.gz	MGLFPQQSELNCQF-JTQLQIEISA-N	-1	0	253.302	0.155	20	30		CCEDRM
CC(CCC(=O)[O-])=NNC(=S)NC[C@H]1CCCO1	ZINC001592471548	978233276	/nfs/dbraw/zinc/23/32/76/978233276.db2.gz	ZOHYDRWYAYWDOQ-SECBINFHSA-N	-1	0	273.358	0.870	20	30		CCEDRM
C[C@H](C#N)C(=O)N(C)C[C@@H](C)Nc1ncc(C(=O)[O-])cn1	ZINC001592564042	978456758	/nfs/dbraw/zinc/45/67/58/978456758.db2.gz	PYCMPXIIDIENGR-RKDXNWHRSA-N	-1	0	291.311	0.593	20	30		CCEDRM
C[C@H](CS(=O)(=O)NCCc1ccc(C#N)cc1)C(=O)[O-]	ZINC001592809401	979489149	/nfs/dbraw/zinc/48/91/49/979489149.db2.gz	QKEWRDCNMSQXCZ-SNVBAGLBSA-N	-1	0	296.348	0.741	20	30		CCEDRM
CC[C@@H](C(=O)[O-])C(=O)NCC1(C#N)CCOCC1	ZINC001594753026	981657759	/nfs/dbraw/zinc/65/77/59/981657759.db2.gz	JCKIRJVAIBOLQQ-SECBINFHSA-N	-1	0	254.286	0.534	20	30		CCEDRM
CC[C@](C)(C#N)C(=O)N[C@H](Cc1c[nH]cn1)C(=O)[O-]	ZINC001594778376	981775920	/nfs/dbraw/zinc/77/59/20/981775920.db2.gz	QEYOVGPSFCHVMX-BXKDBHETSA-N	-1	0	264.285	0.461	20	30		CCEDRM
C#C[C@](C)(CC)NS(=O)(=O)c1n[nH]c(C)c1C(=O)[O-]	ZINC001588366870	983294928	/nfs/dbraw/zinc/29/49/28/983294928.db2.gz	AMMXKLPBTUEYSE-LLVKDONJSA-N	-1	0	285.325	0.497	20	30		CCEDRM
C#C[C@@](C)(CC)NS(=O)(=O)c1cc(C(=O)[O-])cn1C	ZINC001588366933	983296078	/nfs/dbraw/zinc/29/60/78/983296078.db2.gz	CBMNLGMBODXFIG-LBPRGKRZSA-N	-1	0	284.337	0.804	20	30		CCEDRM
C#C[C@H](C)NS(=O)(=O)c1ccc(C#N)cc1C(=O)[O-]	ZINC001588367677	983300167	/nfs/dbraw/zinc/30/01/67/983300167.db2.gz	AAYHNVNQDXQXIM-QMMMGPOBSA-N	-1	0	278.289	0.556	20	30		CCEDRM
C#C[C@@H](C)N(C)C(=O)N[C@H]1C[C@@H]2C[C@]2(C(=O)[O-])C1	ZINC001588368172	983303759	/nfs/dbraw/zinc/30/37/59/983303759.db2.gz	HOWDKYPRRISFTI-DNJQJEMRSA-N	-1	0	250.298	0.903	20	30		CCEDRM
C#C[C@H](CC)NC(=O)C(=O)Nc1ccc(F)c(C(=O)[O-])c1	ZINC001588369457	983314135	/nfs/dbraw/zinc/31/41/35/983314135.db2.gz	MNEQYGONFLBYRX-MRVPVSSYSA-N	-1	0	292.266	0.990	20	30		CCEDRM
C#C[C@@H](NS(=O)(=O)c1occc1C(=O)[O-])[C@H]1CCCO1	ZINC001588376220	983349864	/nfs/dbraw/zinc/34/98/64/983349864.db2.gz	QTFYWERZMUUNNH-NXEZZACHSA-N	-1	0	299.304	0.437	20	30		CCEDRM
C#CC1(O)CC[NH+](Cc2cc(C(=O)[O-])n(C)c2)CC1	ZINC001588380043	983366789	/nfs/dbraw/zinc/36/67/89/983366789.db2.gz	ZCCXDOOQMLWDTI-UHFFFAOYSA-N	-1	0	262.309	0.683	20	30		CCEDRM
C#C[C@H]1CCCN(Cn2nc(C(=O)[O-])cc2C(=O)OC)C1	ZINC001588382735	983374194	/nfs/dbraw/zinc/37/41/94/983374194.db2.gz	GWMNUDFZGZCMJJ-JTQLQIEISA-N	-1	0	291.307	0.671	20	30		CCEDRM
C#C[C@@H]1CCCN(C(=O)C(=O)N2CC[C@H](C(=O)[O-])[C@H]2C)C1	ZINC001588383216	983379217	/nfs/dbraw/zinc/37/92/17/983379217.db2.gz	ZUMWWFPRQFAXDP-UTUOFQBUSA-N	-1	0	292.335	0.180	20	30		CCEDRM
C#C[C@H]1CCCN(S(=O)(=O)C2(C(=O)[O-])CCC2)C1	ZINC001588383317	983379699	/nfs/dbraw/zinc/37/96/99/983379699.db2.gz	UFDUYUCALXAUPH-JTQLQIEISA-N	-1	0	271.338	0.669	20	30		CCEDRM
C#CC1CCN(S(=O)(=O)CC2(C(=O)[O-])CC2)CC1	ZINC001588383356	983380313	/nfs/dbraw/zinc/38/03/13/983380313.db2.gz	WUUCRYFMEYWYEL-UHFFFAOYSA-N	-1	0	271.338	0.526	20	30		CCEDRM
C#CCC(CC#C)C(=O)NC[C@H]1CCO[C@H]1C(=O)[O-]	ZINC001588390356	983393681	/nfs/dbraw/zinc/39/36/81/983393681.db2.gz	SAYMYBPRPDIYMS-VXGBXAGGSA-N	-1	0	263.293	0.255	20	30		CCEDRM
C#CC[C@H](COC)NC(=O)N[C@@H]1C[C@@H]2C[C@H](C(=O)[O-])C[C@H]12	ZINC001588393998	983401361	/nfs/dbraw/zinc/40/13/61/983401361.db2.gz	IMYCWPUBRRBTSC-IEECTRCBSA-N	-1	0	294.351	0.823	20	30		CCEDRM
C#CC[C@H](COC)NC(=O)N[C@@H]1C[C@@H]2C[C@@H](C(=O)[O-])C[C@H]12	ZINC001588393996	983401430	/nfs/dbraw/zinc/40/14/30/983401430.db2.gz	IMYCWPUBRRBTSC-CKIKVBCHSA-N	-1	0	294.351	0.823	20	30		CCEDRM
C#CC[C@H](NC(=O)[C@H]1CC(=O)N(C(C)(C)C)C1)C(=O)[O-]	ZINC001588398071	983410665	/nfs/dbraw/zinc/41/06/65/983410665.db2.gz	CBWWWHDGRHIJLT-UWVGGRQHSA-N	-1	0	280.324	0.226	20	30		CCEDRM
C#CC[C@H](NC(=O)[C@H](C)NC(=O)CC(C)(C)C)C(=O)[O-]	ZINC001588399243	983415280	/nfs/dbraw/zinc/41/52/80/983415280.db2.gz	SJZUDFRMZVITAC-UWVGGRQHSA-N	-1	0	282.340	0.520	20	30		CCEDRM
C#CC[C@H](NC(=O)C[C@@H](C)CC(=O)OC)C(=O)[O-]	ZINC001588404844	983418825	/nfs/dbraw/zinc/41/88/25/983418825.db2.gz	ATJBTGKFZMMVQF-BDAKNGLRSA-N	-1	0	255.270	0.168	20	30		CCEDRM
C#CC[C@@H](NC(=O)/C=C/c1cc(C(=O)OC)co1)C(=O)[O-]	ZINC001588404898	983419361	/nfs/dbraw/zinc/41/93/61/983419361.db2.gz	BFVJHQHDAZBDDV-MVIFTORASA-N	-1	0	291.259	0.672	20	30		CCEDRM
C#CC[C@H](NC(=O)CN1CSCCSC1)C(=O)[O-]	ZINC001588405430	983421658	/nfs/dbraw/zinc/42/16/58/983421658.db2.gz	OAEQVUCGEJSPBS-VIFPVBQESA-N	-1	0	288.394	0.276	20	30		CCEDRM
C#CC[C@@H](NC(=O)c1cc(C)nc2n[nH]c(C)c21)C(=O)[O-]	ZINC001588413589	983431342	/nfs/dbraw/zinc/43/13/42/983431342.db2.gz	BZFZKGRHUYEUOQ-SNVBAGLBSA-N	-1	0	286.291	0.781	20	30		CCEDRM
C#CC[C@@H](NC(=O)c1c(C)nc2sccn21)C(=O)[O-]	ZINC001588413697	983431805	/nfs/dbraw/zinc/43/18/05/983431805.db2.gz	GOYPQXOFKYKRGN-MRVPVSSYSA-N	-1	0	277.305	0.911	20	30		CCEDRM
C#CC[C@@H](NC(=O)c1cc(C)n(C(C)C)n1)C(=O)[O-]	ZINC001588414520	983434649	/nfs/dbraw/zinc/43/46/49/983434649.db2.gz	VFAMSPHIEMUNPE-SNVBAGLBSA-N	-1	0	263.297	0.979	20	30		CCEDRM
C#CC[C@@H](NC(=O)c1ccccc1C(=O)[O-])C(=O)OC	ZINC001588415931	983435965	/nfs/dbraw/zinc/43/59/65/983435965.db2.gz	ILAIIVLKAICCEI-LLVKDONJSA-N	-1	0	275.260	0.680	20	30		CCEDRM
C#CC[C@H](NC(=O)c1ccc2cc[nH]c2n1)C(=O)[O-]	ZINC001588416203	983436415	/nfs/dbraw/zinc/43/64/15/983436415.db2.gz	KWLOXBRWFUXROC-JTQLQIEISA-N	-1	0	257.249	0.769	20	30		CCEDRM
C#CC[C@H](NC(=O)c1ccnc(-c2ncc[nH]2)c1)C(=O)[O-]	ZINC001588417060	983438193	/nfs/dbraw/zinc/43/81/93/983438193.db2.gz	WMPVLBMZRQMNPD-JTQLQIEISA-N	-1	0	284.275	0.678	20	30		CCEDRM
C#CC[C@H](NCc1cc(C(=O)OC)c(C)o1)C(=O)[O-]	ZINC001588422486	983446789	/nfs/dbraw/zinc/44/67/89/983446789.db2.gz	KLZYISKIVIABPY-NSHDSACASA-N	-1	0	265.265	0.941	20	30		CCEDRM
C#CC[C@H](NS(=O)(=O)CC12CCC(CC1)C2)C(=O)[O-]	ZINC001588423587	983453453	/nfs/dbraw/zinc/45/34/53/983453453.db2.gz	LRZAHTXQSGFWCC-AKJDGMEZSA-N	-1	0	285.365	0.963	20	30		CCEDRM
C#CC[C@@H](NS(=O)(=O)CC1CC(C)C1)C(=O)[O-]	ZINC001588424062	983454382	/nfs/dbraw/zinc/45/43/82/983454382.db2.gz	RTBTULOIMIKIQM-UDNWOFFPSA-N	-1	0	259.327	0.428	20	30		CCEDRM
C#CC[C@@H]1CCN(S(=O)(=O)c2cc(C(=O)[O-])n(C)c2)C1	ZINC001588433995	983468600	/nfs/dbraw/zinc/46/86/00/983468600.db2.gz	FJUBGVLVSTVBFG-SNVBAGLBSA-N	-1	0	296.348	0.757	20	30		CCEDRM
C#CC[C@H]1CCN(S(=O)(=O)C[C@@H](C)C(=O)[O-])C1	ZINC001588434321	983469617	/nfs/dbraw/zinc/46/96/17/983469617.db2.gz	JDAVNHKMRPXTKY-ZJUUUORDSA-N	-1	0	259.327	0.382	20	30		CCEDRM
C#CC[C@@H]1CCN(C(=O)CN2CCC[C@@H](C(=O)[O-])C2=O)C1	ZINC001588434628	983471337	/nfs/dbraw/zinc/47/13/37/983471337.db2.gz	OYWBXYSEJJQEQK-VXGBXAGGSA-N	-1	0	292.335	0.181	20	30		CCEDRM
C#CC[C@@H]1CCCN(S(=O)(=O)C[C@@H](C)C(=O)[O-])C1	ZINC001588434663	983471396	/nfs/dbraw/zinc/47/13/96/983471396.db2.gz	PWVQXUYWROMZOA-GHMZBOCLSA-N	-1	0	273.354	0.772	20	30		CCEDRM
C#CCCOC(=O)N[C@H](Cc1cncs1)C(=O)[O-]	ZINC001588455091	983478825	/nfs/dbraw/zinc/47/88/25/983478825.db2.gz	CONUFRBRWWRBMZ-SECBINFHSA-N	-1	0	268.294	0.888	20	30		CCEDRM
C#CCCOC(=O)N1CCC[C@@]1(COC)C(=O)[O-]	ZINC001588455552	983480226	/nfs/dbraw/zinc/48/02/26/983480226.db2.gz	PQDLQEDGQGDXTO-GFCCVEGCSA-N	-1	0	255.270	0.712	20	30		CCEDRM
C#CCCn1nnnc1N1CCC(CC(=O)[O-])CC1	ZINC001588458973	983483977	/nfs/dbraw/zinc/48/39/77/983483977.db2.gz	VVFNPCVOARKTNI-UHFFFAOYSA-N	-1	0	263.301	0.388	20	30		CCEDRM
C#CCN(C(=O)[C@H]1C[C@@H]1C(=O)[O-])C1CCN(C(C)=O)CC1	ZINC001588460049	983486699	/nfs/dbraw/zinc/48/66/99/983486699.db2.gz	QINWGFQUOXYFRJ-STQMWFEESA-N	-1	0	292.335	0.180	20	30		CCEDRM
C#CCN(C)C(=O)C(=O)Nc1cc(C)sc1C(=O)[O-]	ZINC001588461455	983489748	/nfs/dbraw/zinc/48/97/48/983489748.db2.gz	QFESLVRZMINVQN-UHFFFAOYSA-N	-1	0	280.305	0.785	20	30		CCEDRM
C#CCN(CC#CC)C(=O)Cn1cccc(C(=O)[O-])c1=O	ZINC001588464983	983495806	/nfs/dbraw/zinc/49/58/06/983495806.db2.gz	ZLWXCXLGTUSINW-UHFFFAOYSA-N	-1	0	286.287	0.032	20	30		CCEDRM
C#CCNC(=O)[C@H](C)OC(=O)[C@H]1CC[C@@H](CCC(=O)[O-])O1	ZINC001588479487	983520267	/nfs/dbraw/zinc/52/02/67/983520267.db2.gz	PQJYWPRCLCOQQP-GARJFASQSA-N	-1	0	297.307	0.080	20	30		CCEDRM
C#CCNC(=O)CNc1cc(COC)cc(C(=O)[O-])c1	ZINC001588483600	983521453	/nfs/dbraw/zinc/52/14/53/983521453.db2.gz	CLQJAOBOWHSRES-UHFFFAOYSA-N	-1	0	276.292	0.693	20	30		CCEDRM
C#Cc1ccc(C(=O)N[C@](C)(Cn2cccn2)C(=O)[O-])cn1	ZINC001588510745	983556921	/nfs/dbraw/zinc/55/69/21/983556921.db2.gz	JNSCHCSOPJMNAS-OAHLLOKOSA-N	-1	0	298.302	0.533	20	30		CCEDRM
C#Cc1ccc(C(=O)N2CCC(C#N)(C(=O)[O-])CC2)cn1	ZINC001588511131	983558890	/nfs/dbraw/zinc/55/88/90/983558890.db2.gz	SLCLLMIINNUATJ-UHFFFAOYSA-N	-1	0	283.287	0.893	20	30		CCEDRM
C#Cc1ccccc1CC(=O)N[C@](C)(CO)C(=O)[O-]	ZINC001588524351	983574486	/nfs/dbraw/zinc/57/44/86/983574486.db2.gz	FRCLAMDUKHGABL-CQSZACIVSA-N	-1	0	261.277	0.162	20	30		CCEDRM
C#Cc1ccccc1CC(=O)N1CCO[C@@H](C(=O)[O-])C1	ZINC001588524575	983575329	/nfs/dbraw/zinc/57/53/29/983575329.db2.gz	NVULTFJAVVHOJR-CYBMUJFWSA-N	-1	0	273.288	0.522	20	30		CCEDRM
C#Cc1ccccc1CC(=O)N(CCOC)CC(=O)[O-]	ZINC001588524619	983575455	/nfs/dbraw/zinc/57/54/55/983575455.db2.gz	OCWDTYPAVAXXCX-UHFFFAOYSA-N	-1	0	275.304	0.770	20	30		CCEDRM
C=C(Br)CN1CCC[C@@H](O)[C@@H]1C(=O)[O-]	ZINC001588529360	983581085	/nfs/dbraw/zinc/58/10/85/983581085.db2.gz	XFIDYEWBUBGSBE-HTQZYQBOSA-N	-1	0	264.119	0.805	20	30		CCEDRM
C=C(C)[C@H]1OCC[C@H]1CNC(=O)N1C[C@H]2[C@H](C(=O)[O-])[C@H]2C1	ZINC001588535109	983587977	/nfs/dbraw/zinc/58/79/77/983587977.db2.gz	KWENAUALWYEGFE-KIJLLGNVSA-N	-1	0	294.351	0.940	20	30		CCEDRM
C=C(C)[C@@H]1OCC[C@H]1CNC(=O)N1C[C@H]2[C@H](C(=O)[O-])[C@H]2C1	ZINC001588535111	983587986	/nfs/dbraw/zinc/58/79/86/983587986.db2.gz	KWENAUALWYEGFE-YYHQMBLXSA-N	-1	0	294.351	0.940	20	30		CCEDRM
C=C(C)C[C@H](NC(=O)[C@@H]1CCCS(=O)(=O)C1)C(=O)[O-]	ZINC001588540283	983603160	/nfs/dbraw/zinc/60/31/60/983603160.db2.gz	CDSKKQSVRQFDFI-ZJUUUORDSA-N	-1	0	289.353	0.347	20	30		CCEDRM
C=C(C)C[C@H](NC(=O)C[C@@H]1CCCS1(=O)=O)C(=O)[O-]	ZINC001588540437	983604004	/nfs/dbraw/zinc/60/40/04/983604004.db2.gz	GIHQEMHHSGEPOJ-UWVGGRQHSA-N	-1	0	289.353	0.489	20	30		CCEDRM
C=C(C)C[C@@H](NC(=O)CNC(=O)c1cccnc1)C(=O)[O-]	ZINC001588542808	983609551	/nfs/dbraw/zinc/60/95/51/983609551.db2.gz	ROQUUPOIYBLRMB-LLVKDONJSA-N	-1	0	291.307	0.347	20	30		CCEDRM
C=C(C)C[C@@H](NC(=O)c1ccc(O)cn1)C(=O)[O-]	ZINC001588546874	983617568	/nfs/dbraw/zinc/61/75/68/983617568.db2.gz	RUPHBEKKVNVLND-SNVBAGLBSA-N	-1	0	250.254	0.936	20	30		CCEDRM
C=C(C)C[C@@H](NC(C)=O)C(=O)N1CC(C)(C(=O)[O-])C1	ZINC001588548158	983623152	/nfs/dbraw/zinc/62/31/52/983623152.db2.gz	QZUGFAFMWCYZNB-SNVBAGLBSA-N	-1	0	268.313	0.390	20	30		CCEDRM
C=C(C)CCC(=O)N[C@@H](Cc1c[nH]cn1)C(=O)[O-]	ZINC001588554376	983630707	/nfs/dbraw/zinc/63/07/07/983630707.db2.gz	GPJDUFWGSXMLDA-JTQLQIEISA-N	-1	0	251.286	0.878	20	30		CCEDRM
C=C(C)CN(CC)C(=O)Cn1cc(C(=O)[O-])ccc1=O	ZINC001588563519	983645543	/nfs/dbraw/zinc/64/55/43/983645543.db2.gz	YVQLSCQWLQUKPG-UHFFFAOYSA-N	-1	0	278.308	0.971	20	30		CCEDRM
C=C(C)CNC(=S)N1C[C@@H](C)O[C@H](C(=O)[O-])C1	ZINC001588569621	983649399	/nfs/dbraw/zinc/64/93/99/983649399.db2.gz	GXBPUEZFVIUCPO-BDAKNGLRSA-N	-1	0	258.343	0.611	20	30		CCEDRM
C=C(C)CON1C(=O)N[C@@H]([C@@H]2C[C@H]2C(=O)[O-])C1=O	ZINC001588573485	983652587	/nfs/dbraw/zinc/65/25/87/983652587.db2.gz	MTVQVIMPHSTIDV-PRJMDXOYSA-N	-1	0	254.242	0.135	20	30		CCEDRM
C=C(C)CN1CCN(C(=O)[C@@H]2C[C@H]2C(=O)[O-])CC1	ZINC001588585416	983663394	/nfs/dbraw/zinc/66/33/94/983663394.db2.gz	QNZIIURZWFETAQ-GHMZBOCLSA-N	-1	0	252.314	0.427	20	30		CCEDRM
C=C(C)Cn1c(C)nnc1N1CC[C@@](OC)(C(=O)[O-])C1	ZINC001588592203	983676401	/nfs/dbraw/zinc/67/64/01/983676401.db2.gz	TUWGHYZVZKBGFI-ZDUSSCGKSA-N	-1	0	280.328	0.843	20	30		CCEDRM
C=C(C)[C@H]1OCC[C@H]1C(=O)O[C@H](CC(=O)[O-])C(=O)OC	ZINC001588605863	983695353	/nfs/dbraw/zinc/69/53/53/983695353.db2.gz	PUAGWNSSNIXGIB-FXPVBKGRSA-N	-1	0	286.280	0.527	20	30		CCEDRM
C=C(CCC(=O)[O-])C(=O)N1CCC2(CCNC2=O)CC1	ZINC001588613991	983705986	/nfs/dbraw/zinc/70/59/86/983705986.db2.gz	IONMFOCVVQILMH-UHFFFAOYSA-N	-1	0	280.324	0.536	20	30		CCEDRM
C=C(CCC(=O)[O-])C(=O)N1CCc2nc(N)ncc2C1	ZINC001588619447	983716802	/nfs/dbraw/zinc/71/68/02/983716802.db2.gz	UORKDOAVUUBIBC-UHFFFAOYSA-N	-1	0	276.296	0.365	20	30		CCEDRM
C=C(CCC(=O)[O-])C(=O)N[C@H]1C[C@@H](C)n2ncnc21	ZINC001588621952	983721480	/nfs/dbraw/zinc/72/14/80/983721480.db2.gz	MRUYRXSNWGJGGF-BDAKNGLRSA-N	-1	0	264.285	0.821	20	30		CCEDRM
CCN(CCC#N)C(=O)CN1C[C@H](OC)C[C@@]1(C)C(=O)[O-]	ZINC001596299374	983723146	/nfs/dbraw/zinc/72/31/46/983723146.db2.gz	DWQIBUAAPCSIFY-RISCZKNCSA-N	-1	0	297.355	0.313	20	30		CCEDRM
C=C(CCC(=O)[O-])C(=O)NC[C@H](C)c1ncon1	ZINC001588623237	983726850	/nfs/dbraw/zinc/72/68/50/983726850.db2.gz	NFBFIMFJIQHVIP-QMMMGPOBSA-N	-1	0	253.258	0.710	20	30		CCEDRM
C=C(CCC(=O)[O-])C(=O)NCCN1C[C@H](C)OC[C@H]1C	ZINC001588624616	983733993	/nfs/dbraw/zinc/73/39/93/983733993.db2.gz	QAPWOJFWSRBZKZ-NEPJUHHUSA-N	-1	0	284.356	0.633	20	30		CCEDRM
C=C(CCC(=O)OC)C(=O)NCc1nc(C(=O)[O-])co1	ZINC001588634218	983752940	/nfs/dbraw/zinc/75/29/40/983752940.db2.gz	YXWMEPVHUOFMPX-UHFFFAOYSA-N	-1	0	282.252	0.498	20	30		CCEDRM
C=C(Cl)Cn1nnnc1N1CC[C@](C)(C(=O)[O-])C1	ZINC001588643493	983766062	/nfs/dbraw/zinc/76/60/62/983766062.db2.gz	JOJOOIZTGAHILY-JTQLQIEISA-N	-1	0	271.708	0.727	20	30		CCEDRM
C=C[C@@H](C(=O)[O-])N1CCN(C(=O)CC(C)C)CC1	ZINC001588663109	983793724	/nfs/dbraw/zinc/79/37/24/983793724.db2.gz	KBKUQMAECDAKFV-NSHDSACASA-N	-1	0	254.330	0.816	20	30		CCEDRM
C=C[C@H](C(=O)[O-])N(CC1CC1)[C@H](C(N)=O)C1CC1	ZINC001588664327	983799592	/nfs/dbraw/zinc/79/95/92/983799592.db2.gz	POIRZHYROGHAFR-MNOVXSKESA-N	-1	0	252.314	0.602	20	30		CCEDRM
C=C[C@H](C(=O)[O-])n1cc(C[C@@H](CC)C(=O)OC)nn1	ZINC001588672573	983826389	/nfs/dbraw/zinc/82/63/89/983826389.db2.gz	WHGFMKQUUAMZSO-PSASIEDQSA-N	-1	0	267.285	0.832	20	30		CCEDRM
C=CC(C)(C)CC(=O)NCCC(=O)NCCC(=O)[O-]	ZINC001588673040	983828285	/nfs/dbraw/zinc/82/82/85/983828285.db2.gz	HDSXFOIBWGJHQY-UHFFFAOYSA-N	-1	0	270.329	0.686	20	30		CCEDRM
C=C[C@](C)(CC)C(=O)N1CCN(CC(=O)[O-])CC1	ZINC001588680932	983837224	/nfs/dbraw/zinc/83/72/24/983837224.db2.gz	JJJSGVGPKKQTTE-CYBMUJFWSA-N	-1	0	254.330	0.818	20	30		CCEDRM
C=C[C@@](C)(O)C(=O)Nc1ccc(C(=O)[O-])c(O)c1	ZINC001588683004	983846230	/nfs/dbraw/zinc/84/62/30/983846230.db2.gz	SYMXFKBBFSUEDW-GFCCVEGCSA-N	-1	0	251.238	0.966	20	30		CCEDRM
C=C[C@](C)(O)CC(=O)Nc1cnn(CC(=O)[O-])c1C	ZINC001588683881	983852633	/nfs/dbraw/zinc/85/26/33/983852633.db2.gz	GJNDOBZWEBZVFD-LBPRGKRZSA-N	-1	0	267.285	0.542	20	30		CCEDRM
C=C[C@H](COC)NC(=O)C(=O)Nc1ccc(C(=O)[O-])cc1	ZINC001588692874	983887477	/nfs/dbraw/zinc/88/74/77/983887477.db2.gz	LQUJKLMRPZTNRD-SNVBAGLBSA-N	-1	0	292.291	0.641	20	30		CCEDRM
C=C[C@@H](COC)NC(=O)[C@H]1C[C@@H](C)[C@H](C(=O)[O-])O1	ZINC001588692939	983888323	/nfs/dbraw/zinc/88/83/23/983888323.db2.gz	NJVHYECSBVIFBE-UTINFBMNSA-N	-1	0	257.286	0.182	20	30		CCEDRM
C=C[C@@H](O)C(=O)N1C[C@@H](C(=O)[O-])Oc2cc(F)ccc21	ZINC001588702051	983918060	/nfs/dbraw/zinc/91/80/60/983918060.db2.gz	HLKLFCDCSWYZRR-KOLCDFICSA-N	-1	0	281.239	0.551	20	30		CCEDRM
C=C[C@@H](O)c1nnc(N2CC[C@@](C)(C(=O)[O-])C2)n1C	ZINC001588704480	983924085	/nfs/dbraw/zinc/92/40/85/983924085.db2.gz	FCGCVFSYXKKTRO-PRHODGIISA-N	-1	0	266.301	0.336	20	30		CCEDRM
C=C[C@H](OC(=O)[C@@H]1CCc2ncncc2C1)C(=O)[O-]	ZINC001588711281	983936758	/nfs/dbraw/zinc/93/67/58/983936758.db2.gz	NRQPMYABABGNTH-KCJUWKMLSA-N	-1	0	262.265	0.764	20	30		CCEDRM
C=C[C@@H](OC(=O)c1cc(C(=O)[O-])co1)C(=O)OC	ZINC001588711615	983938599	/nfs/dbraw/zinc/93/85/99/983938599.db2.gz	BZUCVPRVKCXANU-SSDOTTSWSA-N	-1	0	254.194	0.862	20	30		CCEDRM
C=C[C@H](OC(=O)c1cn2c(n1)COCC2)C(=O)[O-]	ZINC001588712579	983945355	/nfs/dbraw/zinc/94/53/55/983945355.db2.gz	MPWWFISSAKUSOP-QMMMGPOBSA-N	-1	0	252.226	0.209	20	30		CCEDRM
C=C[C@H]1CCCCN1C(=O)C(=O)N[C@@H]1CC=C(C(=O)[O-])C1	ZINC001588719616	983962370	/nfs/dbraw/zinc/96/23/70/983962370.db2.gz	WOLJDVDGJNWLKX-NEPJUHHUSA-N	-1	0	292.335	0.843	20	30		CCEDRM
C=CC[C@@H](C(=O)[O-])N1CCS(=O)(=O)C[C@@H](C)C1	ZINC001588732021	984014891	/nfs/dbraw/zinc/01/48/91/984014891.db2.gz	UIFWKTZLNPQPTR-UWVGGRQHSA-N	-1	0	261.343	0.382	20	30		CCEDRM
C=CCC(C)(C)Cn1nnnc1N1CCO[C@H](C(=O)[O-])C1	ZINC001588735981	984022132	/nfs/dbraw/zinc/02/21/32/984022132.db2.gz	ATHHYMGXAMFQDE-JTQLQIEISA-N	-1	0	295.343	0.565	20	30		CCEDRM
C=CC[C@H](CO)CNC(=O)[C@H]1CC[C@@H](CCC(=O)[O-])O1	ZINC001588737373	984029250	/nfs/dbraw/zinc/02/92/50/984029250.db2.gz	JUQJRODQZDGEGG-SDDRHHMPSA-N	-1	0	285.340	0.700	20	30		CCEDRM
C=CC[C@@H](NCc1noc2c1COCC2)C(=O)[O-]	ZINC001588749817	984068276	/nfs/dbraw/zinc/06/82/76/984068276.db2.gz	RAOKBBJQDOYROX-SECBINFHSA-N	-1	0	252.270	0.866	20	30		CCEDRM
C=CC[C@@H](OC(=O)[C@@](C)(O)Cn1ccccc1=O)C(=O)[O-]	ZINC001588750179	984070050	/nfs/dbraw/zinc/07/00/50/984070050.db2.gz	CJDHFRWIRLCSGA-YGRLFVJLSA-N	-1	0	295.291	0.172	20	30		CCEDRM
C=CC[C@H](OC(=O)[C@@H]1CC[C@@H]1C(=O)[O-])C(=O)OC	ZINC001588756245	984096984	/nfs/dbraw/zinc/09/69/84/984096984.db2.gz	IYJHYWRBOCINGA-YIZRAAEISA-N	-1	0	256.254	0.758	20	30		CCEDRM
CCN1CCN([C@H](C(=O)[O-])c2ccc(C#N)cc2)CC1=O	ZINC001596431575	984102377	/nfs/dbraw/zinc/10/23/77/984102377.db2.gz	LEUBWAZZTXMDFE-AWEZNQCLSA-N	-1	0	287.319	0.848	20	30		CCEDRM
C=CCC[C@@H](CO)NC(=O)CCSCC(=O)[O-]	ZINC001588778259	984160318	/nfs/dbraw/zinc/16/03/18/984160318.db2.gz	ZFMFVFGUEICVCS-VIFPVBQESA-N	-1	0	261.343	0.638	20	30		CCEDRM
C=CCCC[C@H](NC(=O)c1cnc(C)nc1N)C(=O)[O-]	ZINC001588793705	984221241	/nfs/dbraw/zinc/22/12/41/984221241.db2.gz	XUQGFSXLUYQSFT-JTQLQIEISA-N	-1	0	278.312	0.907	20	30		CCEDRM
C=CCCOCC(=O)N(C)[C@H](COC(C)C)C(=O)[O-]	ZINC001588809068	984265191	/nfs/dbraw/zinc/26/51/91/984265191.db2.gz	XZCWGKQOEBDFSE-LLVKDONJSA-N	-1	0	273.329	0.916	20	30		CCEDRM
C=CCCOCCn1nnnc1N1CC[C@H](C(=O)[O-])C1	ZINC001588813331	984269000	/nfs/dbraw/zinc/26/90/00/984269000.db2.gz	NEAMZNQKHYDQMR-JTQLQIEISA-N	-1	0	281.316	0.177	20	30		CCEDRM
C=CCN(CC=C)C(=O)C(=O)N[C@H]1CC=C(C(=O)[O-])C1	ZINC001588825608	984301651	/nfs/dbraw/zinc/30/16/51/984301651.db2.gz	UYOLZRQNCOIFNR-NSHDSACASA-N	-1	0	278.308	0.477	20	30		CCEDRM
C=CCN(CCC#N)CN1C[C@@H](C(=O)[O-])CC1=O	ZINC001588826318	984302770	/nfs/dbraw/zinc/30/27/70/984302770.db2.gz	ARFZJWQSOBVOOW-JTQLQIEISA-N	-1	0	251.286	0.279	20	30		CCEDRM
C=CCNC(=O)[C@H](C)OC(=O)[C@H]1C[C@@H](C)[C@H](C(=O)[O-])O1	ZINC001588838378	984337464	/nfs/dbraw/zinc/33/74/64/984337464.db2.gz	DVHCCJKNHLVZOO-UTINFBMNSA-N	-1	0	285.296	0.099	20	30		CCEDRM
C=CCN1CCN(C[N@H+]2CCSC[C@@H](C(=O)[O-])C2)C1=O	ZINC001588838702	984339652	/nfs/dbraw/zinc/33/96/52/984339652.db2.gz	HYCULRAXUSSHCC-NSHDSACASA-N	-1	0	299.396	0.617	20	30		CCEDRM
C=CCNC(=O)[C@H](C)OC(=O)[C@H]1CC[C@@H](CCC(=O)[O-])O1	ZINC001588838753	984341291	/nfs/dbraw/zinc/34/12/91/984341291.db2.gz	IQSPZRGBXUCLCF-GARJFASQSA-N	-1	0	299.323	0.633	20	30		CCEDRM
C=CCNC(=O)[C@H](C)OC(=O)c1cc(C(=O)[O-])co1	ZINC001588838843	984341772	/nfs/dbraw/zinc/34/17/72/984341772.db2.gz	JZUFHCYWACHYIO-ZETCQYMHSA-N	-1	0	267.237	0.825	20	30		CCEDRM
C=CCN1CC[C@@H](N2C[C@@H](F)C[C@H]2C(=O)[O-])C1=O	ZINC001588839732	984349292	/nfs/dbraw/zinc/34/92/92/984349292.db2.gz	VUPQQEMEWVEAMD-AEJSXWLSSA-N	-1	0	256.277	0.270	20	30		CCEDRM
C=CCOC[C@H](NC(=O)C(=O)N1CCC[C@H](C)C1)C(=O)[O-]	ZINC001588851097	984383049	/nfs/dbraw/zinc/38/30/49/984383049.db2.gz	UFJJKRIMKYIWOP-QWRGUYRKSA-N	-1	0	298.339	0.017	20	30		CCEDRM
C=CCOC[C@H](NC(=O)C[C@@H]1CCOC1)C(=O)[O-]	ZINC001588854045	984388541	/nfs/dbraw/zinc/38/85/41/984388541.db2.gz	PCDBVEZIUXYZJZ-UWVGGRQHSA-N	-1	0	257.286	0.185	20	30		CCEDRM
C=CCOC[C@H](NC(=O)/C=C/[C@@H]1CCCO1)C(=O)[O-]	ZINC001588854389	984390565	/nfs/dbraw/zinc/39/05/65/984390565.db2.gz	YOGVSICRBRVLPQ-PZIAFJOJSA-N	-1	0	269.297	0.494	20	30		CCEDRM
C=CCOC[C@@H](NC(=O)Cc1noc(C)c1C#N)C(=O)[O-]	ZINC001588856140	984397242	/nfs/dbraw/zinc/39/72/42/984397242.db2.gz	DAGULIATHKDQQT-LLVKDONJSA-N	-1	0	293.279	0.169	20	30		CCEDRM
C=CCOC[C@H](NC(=O)c1cc(O)cc(C#N)c1)C(=O)[O-]	ZINC001588859802	984408758	/nfs/dbraw/zinc/40/87/58/984408758.db2.gz	XJRPVPSTOQVNNZ-LBPRGKRZSA-N	-1	0	290.275	0.649	20	30		CCEDRM
C=CCOC[C@H](NC(=O)c1c[nH]c(=S)[nH]1)C(=O)[O-]	ZINC001588860320	984412207	/nfs/dbraw/zinc/41/22/07/984412207.db2.gz	QBHYFFWJLOFCAJ-ZETCQYMHSA-N	-1	0	271.298	0.084	20	30		CCEDRM
C=CCOC[C@@H](NC(=O)c1ncc2n1CCCC2)C(=O)[O-]	ZINC001588860405	984412670	/nfs/dbraw/zinc/41/26/70/984412670.db2.gz	UHVAKQOLOHNLOS-LLVKDONJSA-N	-1	0	293.323	0.605	20	30		CCEDRM
C=CCOC[C@H](NC(=O)c1ccc(NC)nc1)C(=O)[O-]	ZINC001588861061	984414020	/nfs/dbraw/zinc/41/40/20/984414020.db2.gz	AEXKLLRSNZHGSL-JTQLQIEISA-N	-1	0	279.296	0.509	20	30		CCEDRM
C=CCOC[C@H](NC(=O)c1ccc(O)cn1)C(=O)[O-]	ZINC001588862219	984417437	/nfs/dbraw/zinc/41/74/37/984417437.db2.gz	SANVKZZJHZMOPC-JTQLQIEISA-N	-1	0	266.253	0.173	20	30		CCEDRM
C=CCOC[C@@H](NC(=O)c1ccn(C(F)F)n1)C(=O)[O-]	ZINC001588862161	984417491	/nfs/dbraw/zinc/41/74/91/984417491.db2.gz	RLKACJLALUUXBX-MRVPVSSYSA-N	-1	0	289.238	0.664	20	30		CCEDRM
C=CCOc1ccc(CC(=O)N2CC(O)(C(=O)[O-])C2)cc1	ZINC001588873679	984445275	/nfs/dbraw/zinc/44/52/75/984445275.db2.gz	GYOXMPVEDGIYGP-UHFFFAOYSA-N	-1	0	291.303	0.452	20	30		CCEDRM
C=CCn1cc(C(=O)OC2CC(CC(=O)[O-])C2)nn1	ZINC001588909069	984541609	/nfs/dbraw/zinc/54/16/09/984541609.db2.gz	HSODCKPMUXXDQU-UHFFFAOYSA-N	-1	0	265.269	0.874	20	30		CCEDRM
C=CCn1nnnc1N(C)C1(C(=O)[O-])CCCC1	ZINC001588912674	984552064	/nfs/dbraw/zinc/55/20/64/984552064.db2.gz	MOROWLJOGMTXFA-UHFFFAOYSA-N	-1	0	251.290	0.693	20	30		CCEDRM
C=C[C@@H]1OCC[C@H]1C(=O)NC[C@H]1[C@@H](C(=O)[O-])C1(F)F	ZINC001588916309	984559378	/nfs/dbraw/zinc/55/93/78/984559378.db2.gz	FJPVMLWNNZMISZ-XGEHTFHBSA-N	-1	0	275.251	0.660	20	30		CCEDRM
C=C[C@@H]1OCC[C@H]1C(=O)OCC(=O)C1(C(=O)[O-])CC1	ZINC001588916632	984562273	/nfs/dbraw/zinc/56/22/73/984562273.db2.gz	WDMOOTZXEVEYTB-BDAKNGLRSA-N	-1	0	268.265	0.555	20	30		CCEDRM
C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H](C[C@H]1CCCOC1)C(=O)[O-]	ZINC001588917009	984564547	/nfs/dbraw/zinc/56/45/47/984564547.db2.gz	KOGVCAMGGGEPHW-NDBYEHHHSA-N	-1	0	297.351	0.964	20	30		CCEDRM
C=C[C@@H]1OCC[C@H]1CNC(=O)N1C[C@H](O)C[C@@H](C(=O)[O-])C1	ZINC001588917810	984567386	/nfs/dbraw/zinc/56/73/86/984567386.db2.gz	ARUGEASTXJONFD-QCNOEVLYSA-N	-1	0	298.339	0.055	20	30		CCEDRM
C=C[C@H](CO)NCC(=O)c1cc(C(=O)[O-])[nH]c1C	ZINC001588919356	984571641	/nfs/dbraw/zinc/57/16/41/984571641.db2.gz	ISQGCISYAVJWRV-MRVPVSSYSA-N	-1	0	252.270	0.341	20	30		CCEDRM
C=C[C@H](CO)NC(=O)Nc1ccc2[nH]nc(C(=O)[O-])c2c1	ZINC001588919384	984571812	/nfs/dbraw/zinc/57/18/12/984571812.db2.gz	JRNGAJYDDWBGED-SSDOTTSWSA-N	-1	0	290.279	0.930	20	30		CCEDRM
C=C[C@@H]1OCC[C@H]1NS(=O)(=O)C1(C(=O)[O-])CCC1	ZINC001588920024	984575584	/nfs/dbraw/zinc/57/55/84/984575584.db2.gz	SDJSPVGGNQANLY-BDAKNGLRSA-N	-1	0	275.326	0.257	20	30		CCEDRM
C=C[C@@H]1OCC[C@H]1NC(=O)N1C[C@H]2[C@H](C(=O)[O-])[C@H]2C1	ZINC001588920001	984575861	/nfs/dbraw/zinc/57/58/61/984575861.db2.gz	RESDLXHSCXOXCX-XXFSISAASA-N	-1	0	266.297	0.302	20	30		CCEDRM
CC#CCCNC(=O)C(=O)Nc1ccc(C(=O)[O-])cc1	ZINC001588927306	984598087	/nfs/dbraw/zinc/59/80/87/984598087.db2.gz	SDHWNKCXGVNNQW-UHFFFAOYSA-N	-1	0	274.276	0.853	20	30		CCEDRM
CC#CCCNC(=O)N1CCC([C@H](O)C(=O)[O-])CC1	ZINC001588927429	984598653	/nfs/dbraw/zinc/59/86/53/984598653.db2.gz	XQYKWZZZZRWGJU-NSHDSACASA-N	-1	0	268.313	0.267	20	30		CCEDRM
CC(=NN1CCOCC1)c1ncc(C(=O)[O-])s1	ZINC001589010561	984980442	/nfs/dbraw/zinc/98/04/42/984980442.db2.gz	BPSUOYPBDYAWMW-UHFFFAOYSA-N	-1	0	255.299	0.898	20	30		CCEDRM
CC(=NNCCc1ccncc1)c1cn(CC(=O)[O-])nn1	ZINC001589016887	984999552	/nfs/dbraw/zinc/99/95/52/984999552.db2.gz	NOHDKMGXNGJWQZ-UHFFFAOYSA-N	-1	0	288.311	0.314	20	30		CCEDRM
Cc1[nH]c(=O)c(C#N)c(C)c1CCC(=O)OCC(=O)[O-]	ZINC001599941846	985464827	/nfs/dbraw/zinc/46/48/27/985464827.db2.gz	WTDWMQFMPNNMSB-UHFFFAOYSA-N	-1	0	278.264	0.836	20	30		CCEDRM
C[C@H](C#N)C(=O)N(C)[C@H](C)CNc1ncc(C(=O)[O-])cn1	ZINC001589323642	986147653	/nfs/dbraw/zinc/14/76/53/986147653.db2.gz	IRCZFIUOUDDNTG-RKDXNWHRSA-N	-1	0	291.311	0.593	20	30		CCEDRM
C[C@H](C#N)CN1C(=O)[C@H]2CC[C@@H](C(=O)[O-])CN2C1=O	ZINC001589330914	986180344	/nfs/dbraw/zinc/18/03/44/986180344.db2.gz	UVHDFFYYPCVLJJ-IWSPIJDZSA-N	-1	0	265.269	0.273	20	30		CCEDRM
C[C@H](C#N)CNC(=O)N1CCSC[C@H](C(=O)[O-])C1	ZINC001589331050	986182788	/nfs/dbraw/zinc/18/27/88/986182788.db2.gz	ZCHKXEJKEMWCCU-RKDXNWHRSA-N	-1	0	271.342	0.605	20	30		CCEDRM
C[C@@H](C(=O)N(C)C1(C(=O)[O-])CCCC1)n1cnc(C#N)n1	ZINC001589335627	986213138	/nfs/dbraw/zinc/21/31/38/986213138.db2.gz	AXQUMEWRLNKAOT-VIFPVBQESA-N	-1	0	291.311	0.567	20	30		CCEDRM
C[C@@H]1CN(Cc2cnc(C(=O)[O-])cn2)C[C@H](C)N1CC#N	ZINC001594548045	986234698	/nfs/dbraw/zinc/23/46/98/986234698.db2.gz	PSOJQIACDLJVCF-PHIMTYICSA-N	-1	0	289.339	0.593	20	30		CCEDRM
CCO[C@@]1(C)C[C@H]1NC(=O)N1CCC(C#N)(C(=O)[O-])CC1	ZINC001596981576	986242552	/nfs/dbraw/zinc/24/25/52/986242552.db2.gz	WKKMDIACIKDSOW-MFKMUULPSA-N	-1	0	295.339	0.954	20	30		CCEDRM
C[C@H](C(=O)NC(C)(C)C)N(CC#N)CCC(=O)[O-]	ZINC001589378755	986449677	/nfs/dbraw/zinc/44/96/77/986449677.db2.gz	QPGFSGSZZKCNBX-SECBINFHSA-N	-1	0	255.318	0.590	20	30		CCEDRM
CCC(C#N)(CC)C(=O)OCCn1cc(C(=O)[O-])nn1	ZINC001594722993	987217974	/nfs/dbraw/zinc/21/79/74/987217974.db2.gz	YXEMHINFVRHLRE-UHFFFAOYSA-N	-1	0	280.284	0.849	20	30		CCEDRM
CC(C)(C#N)CC(=O)N1CCC[C@H]1C(=O)NCC(=O)[O-]	ZINC001589553501	987290928	/nfs/dbraw/zinc/29/09/28/987290928.db2.gz	BSYSHDPDKASKMR-VIFPVBQESA-N	-1	0	281.312	0.118	20	30		CCEDRM
CC(C)(C#N)CC(=O)OCC(=O)C1(C(=O)[O-])CC1	ZINC001589554146	987298781	/nfs/dbraw/zinc/29/87/81/987298781.db2.gz	VPOKJSGGRFGSTO-UHFFFAOYSA-N	-1	0	253.254	0.903	20	30		CCEDRM
CC(C)(C#N)NC(=O)CCCn1ccc(C(=O)[O-])n1	ZINC001589559057	987312188	/nfs/dbraw/zinc/31/21/88/987312188.db2.gz	XDUMJUWHGOGIQD-UHFFFAOYSA-N	-1	0	264.285	0.780	20	30		CCEDRM
CCc1c(C(=O)N(CC#N)CCC(=O)[O-])cnn1C	ZINC001597400473	987663554	/nfs/dbraw/zinc/66/35/54/987663554.db2.gz	BFXDQNBDJRWETM-UHFFFAOYSA-N	-1	0	264.285	0.423	20	30		CCEDRM
CC(C)(C)[C@H](C#N)NC(=O)CN1CCC[C@H](C(=O)[O-])C1=O	ZINC001589699658	987786847	/nfs/dbraw/zinc/78/68/47/987786847.db2.gz	OZOHZLXZBHPIRO-UWVGGRQHSA-N	-1	0	295.339	0.364	20	30		CCEDRM
CSC[C@@](C)(C#N)NC(=O)[C@H]1C[C@@H](C(=O)[O-])C1	ZINC001599790226	987994788	/nfs/dbraw/zinc/99/47/88/987994788.db2.gz	VIZNAYSFBZQVLU-VHSKPIJISA-N	-1	0	256.327	0.859	20	30		CCEDRM
C[C@@H]1CN(c2ncc([N+](=O)[O-])cc2C#N)C[C@@H](C(=O)[O-])O1	ZINC001599868539	989310460	/nfs/dbraw/zinc/31/04/60/989310460.db2.gz	ATCRRYLNXXCMSA-XCBNKYQSSA-N	-1	0	292.251	0.540	20	30		CCEDRM
CC(C)(C)n1cc(C(=O)N(CC#N)CCC(=O)[O-])nn1	ZINC001590587073	990233482	/nfs/dbraw/zinc/23/34/82/990233482.db2.gz	FTGJLCITTKAYLE-UHFFFAOYSA-N	-1	0	279.300	0.474	20	30		CCEDRM
CN(C(=O)[C@H]([NH3+])CCC(=O)[O-])[C@@H]1CCC[C@H]1C#N	ZINC001598069238	990365671	/nfs/dbraw/zinc/36/56/71/990365671.db2.gz	YNMGIDUUKKMELR-IVZWLZJFSA-N	-1	0	253.302	0.329	20	30		CCEDRM
CC(C)C#CC(=O)N1CCN([C@@]2(C(=O)[O-])CCOC2)CC1	ZINC001590927092	990930738	/nfs/dbraw/zinc/93/07/38/990930738.db2.gz	RFVXJRHRNRSZDF-HNNXBMFYSA-N	-1	0	294.351	0.034	20	30		CCEDRM
CC(C)[C@@](C)(C#N)NC(=O)CN1CCC[C@H](C(=O)[O-])C1=O	ZINC001590961703	991061555	/nfs/dbraw/zinc/06/15/55/991061555.db2.gz	WSSLXALEBCXGEO-IINYFYTJSA-N	-1	0	295.339	0.364	20	30		CCEDRM
CC(C)C[C@H](NC(=O)Cn1ccc(C#N)cc1=O)C(=O)[O-]	ZINC001591177483	991972188	/nfs/dbraw/zinc/97/21/88/991972188.db2.gz	HITZSCHNSKQDNN-NSHDSACASA-N	-1	0	291.307	0.335	20	30		CCEDRM
CN(CCCO)S(=O)(=O)c1ccc(C#N)cc1C(=O)[O-]	ZINC001598481923	992167331	/nfs/dbraw/zinc/16/73/31/992167331.db2.gz	NTUWYZABOXUFML-UHFFFAOYSA-N	-1	0	298.320	0.259	20	30		CCEDRM
CN1CCC[C@H](C(=O)N2CCC(C#N)(C(=O)[O-])CC2)C1=O	ZINC001598594127	993479039	/nfs/dbraw/zinc/47/90/39/993479039.db2.gz	PZLUBBCQZNOUTC-JTQLQIEISA-N	-1	0	293.323	0.072	20	30		CCEDRM
CN1CN(Cc2cccc(C(=O)[O-])c2C#N)CC1=O	ZINC001598628282	994133151	/nfs/dbraw/zinc/13/31/51/994133151.db2.gz	QVKZEJXUIUBPFN-UHFFFAOYSA-N	-1	0	259.265	0.488	20	30		CCEDRM
CNc1nccc(C(=O)N(CC#N)CC(=O)[O-])c1[N+](=O)[O-]	ZINC001598681586	994936986	/nfs/dbraw/zinc/93/69/86/994936986.db2.gz	JTCMLYTTXUHYEI-UHFFFAOYSA-N	-1	0	293.239	0.082	20	30		CCEDRM
COC(=O)[C@H](CC(=O)[O-])NC(=O)c1cc(C#N)oc1C	ZINC001598694679	995117779	/nfs/dbraw/zinc/11/77/79/995117779.db2.gz	VAAIONJPXWYSRF-VIFPVBQESA-N	-1	0	280.236	0.206	20	30		CCEDRM
COC(=O)C1(NC(=O)C#CC(C)C)CCC(C(=O)[O-])CC1	ZINC001598721962	995489569	/nfs/dbraw/zinc/48/95/69/995489569.db2.gz	MPRONJXZPBYAIP-UHFFFAOYSA-N	-1	0	295.335	0.949	20	30		CCEDRM
COC(=O)[C@H]1C[C@H](C(=O)[O-])CCN1C(=O)C#CC1CC1	ZINC001598739638	995556827	/nfs/dbraw/zinc/55/68/27/995556827.db2.gz	CJENPHQSOVFEAB-GHMZBOCLSA-N	-1	0	279.292	0.265	20	30		CCEDRM
C[C@H](OC(=O)[C@@H]1C[C@@H]1C#N)c1cn(CC(=O)[O-])nn1	ZINC001593546648	995620759	/nfs/dbraw/zinc/62/07/59/995620759.db2.gz	GFONSVDMDRSXIW-XLPZGREQSA-N	-1	0	264.241	0.127	20	30		CCEDRM
COC(=O)[C@@H]1CN(C(=O)CCCCC#N)C[C@H]1C(=O)[O-]	ZINC001598810867	996230325	/nfs/dbraw/zinc/23/03/25/996230325.db2.gz	MGKANVKUTYQKLA-NXEZZACHSA-N	-1	0	282.296	0.403	20	30		CCEDRM
COC(=O)CC[C@@H](NC(=O)c1ccc(C#N)n1C)C(=O)[O-]	ZINC001598857633	996651692	/nfs/dbraw/zinc/65/16/92/996651692.db2.gz	FCCXZXNEXIOXKJ-SECBINFHSA-N	-1	0	293.279	0.033	20	30		CCEDRM
COC[C@@H](C)NC(=O)N1CCC(C#N)(C(=O)[O-])CC1	ZINC001599277463	996832041	/nfs/dbraw/zinc/83/20/41/996832041.db2.gz	CMAZPVVIZBPULF-SECBINFHSA-N	-1	0	269.301	0.421	20	30		CCEDRM
COC[C@@H](OC)C(=O)OCC#Cc1cccc(C(=O)[O-])c1	ZINC001599185225	997014238	/nfs/dbraw/zinc/01/42/38/997014238.db2.gz	ANBDJFSQZNQOAT-CYBMUJFWSA-N	-1	0	292.287	0.941	20	30		CCEDRM
COC[C@H](OC)C(=O)O[C@H](C(=O)[O-])c1ccc(C#N)cc1	ZINC001599186962	997043530	/nfs/dbraw/zinc/04/35/30/997043530.db2.gz	MUUGUOLBNPQOTI-RYUDHWBXSA-N	-1	0	293.275	0.889	20	30		CCEDRM
COC[C@]1(C(=O)[O-])CCCN1C(=O)c1ccnc(C#N)c1	ZINC001599192109	997141354	/nfs/dbraw/zinc/14/13/54/997141354.db2.gz	CNYJMHPGBXPMLT-AWEZNQCLSA-N	-1	0	289.291	0.659	20	30		CCEDRM
COCC[C@H](/N=C\c1ccc(O)c(O)c1O)C(=O)[O-]	ZINC001599213809	997547460	/nfs/dbraw/zinc/54/74/60/997547460.db2.gz	RJZGZUPXTXMPSM-BYODANBRSA-N	-1	0	269.253	0.712	20	30		CCEDRM
COc1c(C(=O)[O-])ncnc1N1CCO[C@@](C)(C#N)C1	ZINC001599332158	997767089	/nfs/dbraw/zinc/76/70/89/997767089.db2.gz	SODUGNOVACLMCQ-LBPRGKRZSA-N	-1	0	278.268	0.302	20	30		CCEDRM
COC(=O)c1cc(F)cc(C(=O)N(CC#N)CC(=O)[O-])c1	ZINC001598936196	997870781	/nfs/dbraw/zinc/87/07/81/997870781.db2.gz	PDAGBTWWCUHPIW-UHFFFAOYSA-N	-1	0	294.238	0.663	20	30		CCEDRM
COc1cc(NCC(=O)NCCC#N)ccc1C(=O)[O-]	ZINC001599442384	997950915	/nfs/dbraw/zinc/95/09/15/997950915.db2.gz	BDOAGBNDHYJRAB-UHFFFAOYSA-N	-1	0	277.280	0.835	20	30		CCEDRM
COCC#CC(=O)N[C@H](C(=O)[O-])c1ccccc1F	ZINC001599138055	998077070	/nfs/dbraw/zinc/07/70/70/998077070.db2.gz	HEMDQTORXZFZGG-LBPRGKRZSA-N	-1	0	265.240	0.717	20	30		CCEDRM
COC[C@@H](C#N)OC(=O)c1cccc(C(=O)[O-])n1	ZINC001599143808	998176958	/nfs/dbraw/zinc/17/69/58/998176958.db2.gz	GSACULMEZFDXIP-SSDOTTSWSA-N	-1	0	250.210	0.475	20	30		CCEDRM
COC[C@](C)(C#N)NC(=O)c1ccc(C(=O)[O-])[nH]1	ZINC001599143978	998180134	/nfs/dbraw/zinc/18/01/34/998180134.db2.gz	OHZYBKWKRQRSOJ-NSHDSACASA-N	-1	0	251.242	0.371	20	30		CCEDRM
C[C@H]1[C@H](C(=O)[O-])CCN1C(=O)Cc1ccc(C#N)nc1	ZINC001594148415	998506096	/nfs/dbraw/zinc/50/60/96/998506096.db2.gz	ZZLSQURFMMCFJW-JOYOIKCWSA-N	-1	0	273.292	0.817	20	30		CCEDRM
C[C@@H]1CC[C@@H]2O[C@H](C(=O)[O-])C[C@H]2N1C(=O)[C@@H]1C[C@@H]1C#N	ZINC001594335237	999287867	/nfs/dbraw/zinc/28/78/67/999287867.db2.gz	BGABKMDCMVLDAS-JKCCIXDMSA-N	-1	0	278.308	0.768	20	30		CCEDRM
CC(C)c1cc(=NC(=O)N=c2[n-]n(C)cc2C#N)[nH][nH]1	ZINC000617277137	365588389	/nfs/dbraw/zinc/58/83/89/365588389.db2.gz	SFGMUELQLJUOBH-UHFFFAOYSA-N	-1	0	273.300	0.626	20	30		CCEDRM
CCn1nc(C)c(S(=O)(=O)[N-]c2n[nH]cc2C#N)c1C	ZINC000269689526	190535972	/nfs/dbraw/zinc/53/59/72/190535972.db2.gz	OFHMMBDUQSSVDZ-UHFFFAOYSA-N	-1	0	294.340	0.915	20	30		CCEDRM
CC[C@@H](C#N)S(=O)(=O)[N-]c1cnn(CCF)c1	ZINC000600659537	362027857	/nfs/dbraw/zinc/02/78/57/362027857.db2.gz	FQVZDCXAYSZKJY-VIFPVBQESA-N	-1	0	260.294	0.896	20	30		CCEDRM
N#Cc1c(C2CC2)[n-][nH]c1=NC(=O)c1cn2c(n1)COCC2	ZINC000600827139	362074011	/nfs/dbraw/zinc/07/40/11/362074011.db2.gz	VIQMABULPSCTBK-UHFFFAOYSA-N	-1	0	298.306	0.560	20	30		CCEDRM
Cc1n[n-]c(=NC(=O)N2CCN(CCC#N)CC2)s1	ZINC000601257490	362193173	/nfs/dbraw/zinc/19/31/73/362193173.db2.gz	OKVIJBWOIFHKCS-UHFFFAOYSA-N	-1	0	280.357	0.332	20	30		CCEDRM
C=C(C)C[C@H](NC(=O)Cc1n[n-]c(=NC)s1)C(=O)OC	ZINC000601786755	362392684	/nfs/dbraw/zinc/39/26/84/362392684.db2.gz	ISKZSKCIHFPOON-QMMMGPOBSA-N	-1	0	298.368	0.168	20	30		CCEDRM
COC(C)(C)c1nc(=NC(=O)[C@H](C)C#N)s[n-]1	ZINC000601797285	362395076	/nfs/dbraw/zinc/39/50/76/362395076.db2.gz	SYERRJKXEVAVKS-ZCFIWIBFSA-N	-1	0	254.315	0.940	20	30		CCEDRM
C[C@@H]1CCCN1C(=O)CCn1cc(C#N)c(=O)[n-]c1=O	ZINC000602108044	362493473	/nfs/dbraw/zinc/49/34/73/362493473.db2.gz	ROEFXVQHNJEQBB-SECBINFHSA-N	-1	0	276.296	0.222	20	30		CCEDRM
C[C@H]1CCN(C(=O)CCn2cc(C#N)c(=O)[n-]c2=O)C1	ZINC000602091082	362480524	/nfs/dbraw/zinc/48/05/24/362480524.db2.gz	ZSPUKTPWBJOXHE-VIFPVBQESA-N	-1	0	276.296	0.079	20	30		CCEDRM
CC[C@H]1CCN(C(=O)CCn2cc(C#N)c(=O)[n-]c2=O)C1	ZINC000602111583	362494935	/nfs/dbraw/zinc/49/49/35/362494935.db2.gz	ABAIYKAPSMQJRJ-JTQLQIEISA-N	-1	0	290.323	0.469	20	30		CCEDRM
N#Cc1ccc2c(c1)CN(C(=O)CCCc1nnn[n-]1)C2	ZINC000602175608	362543629	/nfs/dbraw/zinc/54/36/29/362543629.db2.gz	RUDMIWCLJBLVJR-UHFFFAOYSA-N	-1	0	282.307	0.936	20	30		CCEDRM
N#Cc1c[nH]c(C(=O)N2CCC[C@@H](c3n[nH]c(=O)[n-]3)C2)c1	ZINC000339291269	215072948	/nfs/dbraw/zinc/07/29/48/215072948.db2.gz	UUOQCNFVYBMOSB-SECBINFHSA-N	-1	0	286.295	0.730	20	30		CCEDRM
Cc1ncc(S(=O)(=O)[N-]c2cnn(C)c2)cc1C#N	ZINC000312006562	137076260	/nfs/dbraw/zinc/07/62/60/137076260.db2.gz	SMGYHMSGMNGHTH-UHFFFAOYSA-N	-1	0	277.309	0.796	20	30		CCEDRM
CCC[C@@H](NC(=O)c1ccc(C#N)o1)c1nnn[n-]1	ZINC000342345285	137089618	/nfs/dbraw/zinc/08/96/18/137089618.db2.gz	CERMPZCLKQBVQP-MRVPVSSYSA-N	-1	0	260.257	0.936	20	30		CCEDRM
Cn1cc(C#N)c(=NC(=O)N2C[C@@H]3COC[C@@]3(C)C2)[n-]1	ZINC000602886109	362864316	/nfs/dbraw/zinc/86/43/16/362864316.db2.gz	JDGCYVPVAFWEQJ-ZWNOBZJWSA-N	-1	0	275.312	0.214	20	30		CCEDRM
Cn1cc(C#N)c(=NC(=O)N[C@H]2COC(C)(C)C2)[n-]1	ZINC000602885419	362864780	/nfs/dbraw/zinc/86/47/80/362864780.db2.gz	DTBKJDQWSHPFBA-SECBINFHSA-N	-1	0	263.301	0.403	20	30		CCEDRM
C[C@@H]1CCN(C(=O)N=c2[n-]n(C)cc2C#N)C[C@H]1CO	ZINC000602886083	362865019	/nfs/dbraw/zinc/86/50/19/362865019.db2.gz	IYJNPGPHDANXPO-KOLCDFICSA-N	-1	0	277.328	0.196	20	30		CCEDRM
C[C@H]1CN(C(=O)N=c2[n-]n(C)cc2C#N)C[C@@]1(C)CO	ZINC000602888355	362867310	/nfs/dbraw/zinc/86/73/10/362867310.db2.gz	SSTJWNGLYSRDPG-ZANVPECISA-N	-1	0	277.328	0.196	20	30		CCEDRM
C[C@H]1CN(C(=O)N=c2[n-]n(C)cc2C#N)C[C@]1(C)CO	ZINC000602888354	362867523	/nfs/dbraw/zinc/86/75/23/362867523.db2.gz	SSTJWNGLYSRDPG-TVQRCGJNSA-N	-1	0	277.328	0.196	20	30		CCEDRM
O=C1CN=C(NC([O-])=C2CC(=O)Nc3cc(F)ccc32)N1	ZINC000050223253	348470713	/nfs/dbraw/zinc/47/07/13/348470713.db2.gz	ATHHDCKGZIKYJN-MRVPVSSYSA-N	-1	0	290.254	0.694	20	30		CCEDRM
C[C@H](C#N)CNS(=O)(=O)c1ccc(C(=O)[O-])cc1	ZINC000054156483	348544239	/nfs/dbraw/zinc/54/42/39/348544239.db2.gz	AFRFMLKVPBESRH-MRVPVSSYSA-N	-1	0	268.294	0.823	20	30		CCEDRM
N#Cc1cc(N2CCO[C@H](C(=O)[O-])C2)ccc1[N+](=O)[O-]	ZINC000127731200	350176791	/nfs/dbraw/zinc/17/67/91/350176791.db2.gz	SHSRHODKQCJYAY-NSHDSACASA-N	-1	0	277.236	0.756	20	30		CCEDRM
CCCC[C@H](NS(=O)(=O)c1ccc(C#N)nc1)C(=O)[O-]	ZINC000132361117	350305351	/nfs/dbraw/zinc/30/53/51/350305351.db2.gz	NUVXOTGYRDFURC-NSHDSACASA-N	-1	0	297.336	0.875	20	30		CCEDRM
C[C@@H](C(=O)[O-])[C@H](C)NS(=O)(=O)c1ccccc1C#N	ZINC000133253705	350330240	/nfs/dbraw/zinc/33/02/40/350330240.db2.gz	VMUPMZPWCNYGNU-BDAKNGLRSA-N	-1	0	282.321	0.946	20	30		CCEDRM
CC(C)(CNS(=O)(=O)c1ccccc1C#N)C(=O)[O-]	ZINC000137477355	350436655	/nfs/dbraw/zinc/43/66/55/350436655.db2.gz	FSPKEQMLDKBQCQ-UHFFFAOYSA-N	-1	0	282.321	0.947	20	30		CCEDRM
N#Cc1cncc(S(=O)(=O)[N-]C(=O)[C@H]2CCCOC2)c1	ZINC000408489830	137895890	/nfs/dbraw/zinc/89/58/90/137895890.db2.gz	WJXBYDHHEONWKF-JTQLQIEISA-N	-1	0	295.320	0.185	20	30		CCEDRM
Cn1ncc(C#N)c1[N-]S(=O)(=O)c1ccc(C#N)nc1	ZINC000122041372	187012200	/nfs/dbraw/zinc/01/22/00/187012200.db2.gz	FBDTYENTMMQJSG-UHFFFAOYSA-N	-1	0	288.292	0.359	20	30		CCEDRM
CC[C@]1(C)NC(=O)N([N-]C(=O)c2cc(C#N)cs2)C1=O	ZINC000193167903	351814371	/nfs/dbraw/zinc/81/43/71/351814371.db2.gz	CWYCMFGJPQJUFW-LBPRGKRZSA-N	-1	0	292.320	0.985	20	30		CCEDRM
C[C@]1(C(=O)[O-])CCCN1S(=O)(=O)c1ccc(C#N)nc1	ZINC000228697753	352080991	/nfs/dbraw/zinc/08/09/91/352080991.db2.gz	VVGXAWBARHLHLP-GFCCVEGCSA-N	-1	0	295.320	0.581	20	30		CCEDRM
N#Cc1cn(CCNC(=O)c2ccccc2)c(=O)[n-]c1=O	ZINC000603918790	363170954	/nfs/dbraw/zinc/17/09/54/363170954.db2.gz	IOZAKWBKMRSXGO-UHFFFAOYSA-N	-1	0	284.275	0.251	20	30		CCEDRM
C=CCCS(=O)(=O)N[C@H](CC(=O)CC)C(=O)[O-]	ZINC000274929593	353173959	/nfs/dbraw/zinc/17/39/59/353173959.db2.gz	CEBBSRGLDWZONK-SECBINFHSA-N	-1	0	263.315	0.304	20	30		CCEDRM
C#CC[C@H](NS(=O)(=O)c1ccc(OC)c(C)c1)C(=O)[O-]	ZINC000159573928	188432099	/nfs/dbraw/zinc/43/20/99/188432099.db2.gz	KAXUHKAAFOSCBZ-NSHDSACASA-N	-1	0	297.332	0.758	20	30		CCEDRM
C[C@H](CCCC(=O)[O-])NS(=O)(=O)c1ccc(C#N)nc1	ZINC000159675469	188436521	/nfs/dbraw/zinc/43/65/21/188436521.db2.gz	BBRMWVTYYIZHLG-SECBINFHSA-N	-1	0	297.336	0.875	20	30		CCEDRM
CC(C)CN(CC(=O)[O-])S(=O)(=O)c1ccc(C#N)nc1	ZINC000159692984	188437682	/nfs/dbraw/zinc/43/76/82/188437682.db2.gz	MOIBHHKWWFSQBH-UHFFFAOYSA-N	-1	0	297.336	0.685	20	30		CCEDRM
C[C@H]1CC[C@@H](C(=O)[O-])N1S(=O)(=O)c1cncc(C#N)c1	ZINC000290697541	353743328	/nfs/dbraw/zinc/74/33/28/353743328.db2.gz	RWHQARMHJMOMPO-KWQFWETISA-N	-1	0	295.320	0.579	20	30		CCEDRM
C[C@H]1CCN(S(=O)(=O)c2ccc(C#N)o2)[C@H]1C(=O)[O-]	ZINC000558474076	291057614	/nfs/dbraw/zinc/05/76/14/291057614.db2.gz	JTCWSTJAXOFBRD-OIBJUYFYSA-N	-1	0	284.293	0.635	20	30		CCEDRM
N#Cc1cccc([C@H]2CN(Cc3n[nH]c(=O)[n-]3)CCO2)c1	ZINC000341127233	355612022	/nfs/dbraw/zinc/61/20/22/355612022.db2.gz	NSXHGJGPAITWMP-GFCCVEGCSA-N	-1	0	285.307	0.955	20	30		CCEDRM
N#Cc1ccc(NCCc2nc(=N)[n-]o2)c([N+](=O)[O-])c1	ZINC000342774827	355743721	/nfs/dbraw/zinc/74/37/21/355743721.db2.gz	IFOOFIZJWCXCBD-UHFFFAOYSA-N	-1	0	274.240	0.917	20	30		CCEDRM
N#Cc1cccc(F)c1CC(=O)NCc1n[n-]c(=N)o1	ZINC000354839276	356511170	/nfs/dbraw/zinc/51/11/70/356511170.db2.gz	LTIMQAQPXLHHSF-UHFFFAOYSA-N	-1	0	275.243	0.352	20	30		CCEDRM
N#Cc1nc(NC(=O)c2ccc(C(N)=O)s2)[n-]c1C#N	ZINC000355854350	356660263	/nfs/dbraw/zinc/66/02/63/356660263.db2.gz	XBDRCYCAHIKTJA-UHFFFAOYSA-N	-1	0	286.276	0.566	20	30		CCEDRM
N#Cc1c[nH]c(C(=O)N[C@@H](c2nnn[n-]2)c2ccccc2)c1	ZINC000610489944	363566409	/nfs/dbraw/zinc/56/64/09/363566409.db2.gz	WLZYVYAKLIRZPU-GFCCVEGCSA-N	-1	0	293.290	0.919	20	30		CCEDRM
Cn1ncc(C(=O)N=c2[nH][n-]c(C3CC3)c2C#N)c1C#N	ZINC000359719513	356878348	/nfs/dbraw/zinc/87/83/48/356878348.db2.gz	SGMBZGQHGBHPQU-UHFFFAOYSA-N	-1	0	281.279	0.438	20	30		CCEDRM
N#Cc1c(NCCc2nc(=N)[n-]o2)nc2ccccn21	ZINC000360116765	356950096	/nfs/dbraw/zinc/95/00/96/356950096.db2.gz	JWNZQKOUCLZQCK-UHFFFAOYSA-N	-1	0	269.268	0.656	20	30		CCEDRM
CC[C@H](C)NC(=O)[C@H](C)NC(=O)N=c1[n-]n(C)cc1C#N	ZINC000610528235	363572473	/nfs/dbraw/zinc/57/24/73/363572473.db2.gz	YAQHARYHEOXJDR-IUCAKERBSA-N	-1	0	292.343	0.138	20	30		CCEDRM
Cn1cc(C#N)c(=NC(=O)N2CCCOC(C)(C)C2)[n-]1	ZINC000610562024	363576514	/nfs/dbraw/zinc/57/65/14/363576514.db2.gz	VMFZPJRRWAHAPT-UHFFFAOYSA-N	-1	0	277.328	0.746	20	30		CCEDRM
CCn1cc(CN(C)C(=O)N=c2[n-]n(C)cc2C#N)cn1	ZINC000610561422	363576968	/nfs/dbraw/zinc/57/69/68/363576968.db2.gz	VPDYUWSTJKJQED-UHFFFAOYSA-N	-1	0	287.327	0.594	20	30		CCEDRM
C=CCOC[C@@H](NC(=O)NCCc1cscn1)C(=O)[O-]	ZINC000684717594	545727798	/nfs/dbraw/zinc/72/77/98/545727798.db2.gz	IMZAFSGXBJBAPQ-SNVBAGLBSA-N	-1	0	299.352	0.641	20	30		CCEDRM
C[C@H](CC#N)N(C)S(=O)(=O)NC[C@@H](C)CCC(=O)[O-]	ZINC000563227178	358557254	/nfs/dbraw/zinc/55/72/54/358557254.db2.gz	TVEXMTXOCVCHNR-VHSXEESVSA-N	-1	0	291.373	0.556	20	30		CCEDRM
C=CCOC[C@@H](NC(=O)N[C@@H](CC)COC)C(=O)[O-]	ZINC000573781013	358998584	/nfs/dbraw/zinc/99/85/84/358998584.db2.gz	QBIFSSHUXZXZOR-VHSXEESVSA-N	-1	0	274.317	0.366	20	30		CCEDRM
C=C(CC)CNC(=O)C(=O)N1CCC[C@H](CC(=O)[O-])C1	ZINC000584583698	359174914	/nfs/dbraw/zinc/17/49/14/359174914.db2.gz	TWHBXWSEIJSULV-LLVKDONJSA-N	-1	0	282.340	0.782	20	30		CCEDRM
Cn1cc([N-]S(=O)(=O)CCC(C)(C)C#N)nn1	ZINC000584842511	359216543	/nfs/dbraw/zinc/21/65/43/359216543.db2.gz	VXMCUFGEFKHOLQ-UHFFFAOYSA-N	-1	0	257.319	0.497	20	30		CCEDRM
C[C@H](O)[C@@H]1CCCN(C(=O)N=c2[n-]n(C)cc2C#N)C1	ZINC000610964594	363638531	/nfs/dbraw/zinc/63/85/31/363638531.db2.gz	FDHDEVGMYBOEPJ-VHSXEESVSA-N	-1	0	277.328	0.338	20	30		CCEDRM
C=C[C@H](C(=O)OC)N1CCC[C@H](c2n[nH]c(=O)[n-]2)C1	ZINC000588973849	359354163	/nfs/dbraw/zinc/35/41/63/359354163.db2.gz	JUECWFXSVVDDPC-DTWKUNHWSA-N	-1	0	266.301	0.417	20	30		CCEDRM
CC[C@@](C)(C#N)C(=O)N=c1ccc(C(=O)OC)n[n-]1	ZINC000588986367	359355279	/nfs/dbraw/zinc/35/52/79/359355279.db2.gz	SZBKLHKNAGSHBQ-LBPRGKRZSA-N	-1	0	262.269	0.563	20	30		CCEDRM
Cc1nc([N-]S(=O)(=O)c2cccc(CC#N)c2)nn1C	ZINC000589980347	359413487	/nfs/dbraw/zinc/41/34/87/359413487.db2.gz	UVCBOIHPHYSZJF-UHFFFAOYSA-N	-1	0	291.336	0.990	20	30		CCEDRM
CN(C)c1cc(C#N)cc(C(=O)N=c2cc(C(N)=O)[n-][nH]2)c1	ZINC000590306749	359437340	/nfs/dbraw/zinc/43/73/40/359437340.db2.gz	CXJMXIYHQKHRSO-UHFFFAOYSA-N	-1	0	298.306	0.120	20	30		CCEDRM
N#Cc1[n-]c(=NC[C@]2(O)CCOC2)sc1Cl	ZINC000590581807	359490033	/nfs/dbraw/zinc/49/00/33/359490033.db2.gz	OGLHCEMFKQSALO-SECBINFHSA-N	-1	0	259.718	0.653	20	30		CCEDRM
CCO[C@H]1C[C@@H](NC(=O)N=c2[n-]n(C)cc2C#N)C1	ZINC000590957486	359542829	/nfs/dbraw/zinc/54/28/29/359542829.db2.gz	RTHNPDUBUADFOY-AOOOYVTPSA-N	-1	0	263.301	0.403	20	30		CCEDRM
C[C@@H]1CCC[C@]1(O)CNC(=O)N=c1[n-]n(C)cc1C#N	ZINC000590819464	359527600	/nfs/dbraw/zinc/52/76/00/359527600.db2.gz	KMYKZNDQSGVWEU-RNCFNFMXSA-N	-1	0	277.328	0.386	20	30		CCEDRM
C=CCC[C@H](CO)NC(=O)N=c1ccc(C(=O)OC)n[n-]1	ZINC000590834183	359529053	/nfs/dbraw/zinc/52/90/53/359529053.db2.gz	XOZBQNFTZZPTSX-SECBINFHSA-N	-1	0	294.311	0.134	20	30		CCEDRM
Cn1cc(C#N)c(=NC(=O)N[C@@H]2CC[C@H](C#N)C2)[n-]1	ZINC000591865066	359666087	/nfs/dbraw/zinc/66/60/87/359666087.db2.gz	HCHFZYAOISGCJX-WCBMZHEXSA-N	-1	0	258.285	0.527	20	30		CCEDRM
C=CCCC(C)(C)NC(=O)c1n[nH]c(=O)[n-]c1=O	ZINC000620857941	366575947	/nfs/dbraw/zinc/57/59/47/366575947.db2.gz	PMCOTZODOXWTPR-UHFFFAOYSA-N	-1	0	252.274	0.757	20	30		CCEDRM
N#CC[C@]1(O)CCN(C(=O)c2ccc([N+](=O)[O-])cc2[O-])C1	ZINC000592848324	359953390	/nfs/dbraw/zinc/95/33/90/359953390.db2.gz	VZIROTBBYBLSDQ-ZDUSSCGKSA-N	-1	0	291.263	0.791	20	30		CCEDRM
C=CCOC[C@H](NC(=O)NCC1CC(C)C1)C(=O)[O-]	ZINC000621250357	366678846	/nfs/dbraw/zinc/67/88/46/366678846.db2.gz	ZEYUCSHGAUCVGQ-ILDUYXDCSA-N	-1	0	270.329	0.988	20	30		CCEDRM
CNC(=O)c1ccc(=NC(=O)C2(C#N)CCCCC2)[n-]n1	ZINC000593334863	360067582	/nfs/dbraw/zinc/06/75/82/360067582.db2.gz	QTBDCOQZSQURHY-UHFFFAOYSA-N	-1	0	287.323	0.671	20	30		CCEDRM
C=C[C@H](CO)NC(=O)c1cccc([O-])c1[N+](=O)[O-]	ZINC000426858908	260540683	/nfs/dbraw/zinc/54/06/83/260540683.db2.gz	YXONYUSJTNHGFK-SSDOTTSWSA-N	-1	0	252.226	0.577	20	30		CCEDRM
N#CC1(CS(=O)(=O)N(CC(=O)[O-])C2CCC2)CCC1	ZINC000593943847	360221335	/nfs/dbraw/zinc/22/13/35/360221335.db2.gz	FHYKJVNTJQTFQO-UHFFFAOYSA-N	-1	0	286.353	0.949	20	30		CCEDRM
Cn1nnc2c1CC[C@H](NC(=O)c1cc(O)cc(C#N)c1)C2	ZINC000594403349	360294037	/nfs/dbraw/zinc/29/40/37/360294037.db2.gz	XBEBARXIOSEYDW-NSHDSACASA-N	-1	0	297.318	0.680	20	30		CCEDRM
N#Cc1cc(C(=O)N=c2cc(C(N)=O)[n-][nH]2)ccc1Cl	ZINC000611504317	363728414	/nfs/dbraw/zinc/72/84/14/363728414.db2.gz	BVIFFUZYEZQUOQ-UHFFFAOYSA-N	-1	0	289.682	0.708	20	30		CCEDRM
C=C(C)CS(=O)(=O)N(CCSC)CC(=O)[O-]	ZINC000594680546	360359645	/nfs/dbraw/zinc/35/96/45/360359645.db2.gz	KEISXOVQUQBXKM-UHFFFAOYSA-N	-1	0	267.372	0.642	20	30		CCEDRM
CO[C@](C)(C(=O)[O-])C(=O)NCCc1ccc(C#N)cc1	ZINC000595999652	360772322	/nfs/dbraw/zinc/77/23/22/360772322.db2.gz	FHRBOUXMTWJRRJ-AWEZNQCLSA-N	-1	0	276.292	0.707	20	30		CCEDRM
C[C@]1(C#N)CCN(C(=O)C(=O)N2CCC(C(=O)[O-])CC2)C1	ZINC000595984778	360759711	/nfs/dbraw/zinc/75/97/11/360759711.db2.gz	CNZDMEHXHDJBDO-CQSZACIVSA-N	-1	0	293.323	0.072	20	30		CCEDRM
CCc1nc(C#N)cc(NCCCc2n[nH]c(=O)[n-]2)n1	ZINC000596144836	360810990	/nfs/dbraw/zinc/81/09/90/360810990.db2.gz	JSZIIRZASKRLAU-UHFFFAOYSA-N	-1	0	273.300	0.201	20	30		CCEDRM
CC#CC[C@@H](NS(=O)(=O)c1cnc(C)s1)C(=O)[O-]	ZINC000275074514	192903480	/nfs/dbraw/zinc/90/34/80/192903480.db2.gz	XHQRASWHFQPQBV-MRVPVSSYSA-N	-1	0	288.350	0.596	20	30		CCEDRM
CO[C@H]1CC[C@H](C(=O)Nc2nc(C#N)c(C#N)[n-]2)C1	ZINC000598662132	361474826	/nfs/dbraw/zinc/47/48/26/361474826.db2.gz	PSZBSNPULDXKBY-YUMQZZPRSA-N	-1	0	259.269	0.907	20	30		CCEDRM
C=C[C@](C)(O)C(=O)Nc1ncc(C(=O)OCC)[n-]1	ZINC000598730177	361499065	/nfs/dbraw/zinc/49/90/65/361499065.db2.gz	ZVTQCLKMONSZHL-NSHDSACASA-N	-1	0	253.258	0.462	20	30		CCEDRM
CC(=O)N1c2ccccc2C[C@H]1C(=O)N=c1[nH][n-]cc1C#N	ZINC000598911774	361530562	/nfs/dbraw/zinc/53/05/62/361530562.db2.gz	QAEQIWUNAUVAPG-ZDUSSCGKSA-N	-1	0	295.302	0.620	20	30		CCEDRM
CCc1cc(N2CC(n3cc(C#N)c(=O)[n-]c3=O)C2)ncn1	ZINC000599127430	361580348	/nfs/dbraw/zinc/58/03/48/361580348.db2.gz	KRLXSQBDSQPEEM-UHFFFAOYSA-N	-1	0	298.306	0.234	20	30		CCEDRM
Cn1cc([N+](=O)[O-])c(S(=O)(=O)[N-]CC(C)(C)C#N)n1	ZINC000599272114	361628278	/nfs/dbraw/zinc/62/82/78/361628278.db2.gz	PPHGDHAPJXDLQB-UHFFFAOYSA-N	-1	0	287.301	0.156	20	30		CCEDRM
Cn1cc(C#N)c(=NC(=O)N2CCC[C@](C)(C#N)C2)[n-]1	ZINC000612313458	363883051	/nfs/dbraw/zinc/88/30/51/363883051.db2.gz	HGWCKWSNJPIYDR-CYBMUJFWSA-N	-1	0	272.312	0.871	20	30		CCEDRM
Cn1cc(C#N)c(=NC(=O)N[C@H](CCO)c2ccco2)[n-]1	ZINC000613590082	364307508	/nfs/dbraw/zinc/30/75/08/364307508.db2.gz	QXIXOJNAXZKJAZ-SNVBAGLBSA-N	-1	0	289.295	0.552	20	30		CCEDRM
Cn1cc(C#N)c(=NC(=O)N[C@@H]2c3ccccc3C[C@H]2O)[n-]1	ZINC000614182114	364523822	/nfs/dbraw/zinc/52/38/22/364523822.db2.gz	CLVKQFKJWWJLKO-CHWSQXEVSA-N	-1	0	297.318	0.493	20	30		CCEDRM
N#Cc1ccc(C2(C(=O)N=c3cc(C(N)=O)[n-][nH]3)CC2)cc1	ZINC000614856659	364757495	/nfs/dbraw/zinc/75/74/95/364757495.db2.gz	IBYMIDNJNRPEND-UHFFFAOYSA-N	-1	0	295.302	0.472	20	30		CCEDRM
N#Cc1cnc([N-]S(=O)(=O)c2cnc3n2CCC3)s1	ZINC000615129296	364854738	/nfs/dbraw/zinc/85/47/38/364854738.db2.gz	FJPUAHRWFSPZTK-UHFFFAOYSA-N	-1	0	295.349	0.380	20	30		CCEDRM
C=C(C)C[C@@H](NC(C)=O)C(=O)N=c1nc2ccccn2[n-]1	ZINC000615009128	364814799	/nfs/dbraw/zinc/81/47/99/364814799.db2.gz	OYFBVDMFIATSCV-LLVKDONJSA-N	-1	0	287.323	0.561	20	30		CCEDRM
CC#CCN(C)C(=O)c1cc(S(N)(=O)=O)ccc1[O-]	ZINC000615407101	364936553	/nfs/dbraw/zinc/93/65/53/364936553.db2.gz	QXBDZMUREIJZLE-UHFFFAOYSA-N	-1	0	282.321	0.135	20	30		CCEDRM
C=C[C@@](C)(O)C(=O)N=c1nc([C@@H](C)OC)[n-]s1	ZINC000622019354	366985316	/nfs/dbraw/zinc/98/53/16/366985316.db2.gz	UWBFBRQEVGTFKX-LHLIQPBNSA-N	-1	0	257.315	0.543	20	30		CCEDRM
C=CCNc1ncc(C(=O)N(C)Cc2n[n-]c(=O)o2)s1	ZINC000622116802	367043831	/nfs/dbraw/zinc/04/38/31/367043831.db2.gz	GMMVYKBJYXERKA-UHFFFAOYSA-N	-1	0	295.324	0.524	20	30		CCEDRM
C=CCCS(=O)(=O)N[C@@H](C[C@H](OC)C1CC1)C(=O)[O-]	ZINC000656170534	412758246	/nfs/dbraw/zinc/75/82/46/412758246.db2.gz	XYVJYJRVKZHGMM-QWRGUYRKSA-N	-1	0	291.369	0.750	20	30		CCEDRM
CO[N-]C(=O)C(=O)Nc1ccc(OC(C)C)c(C#N)c1	ZINC000275929070	193165774	/nfs/dbraw/zinc/16/57/74/193165774.db2.gz	AOBFREMDKJOQAQ-UHFFFAOYSA-N	-1	0	277.280	0.962	20	30		CCEDRM
Cn1c(C(=O)N=c2[n-]n(C(C)(C)C)cc2C#N)cccc1=O	ZINC000330618701	203044197	/nfs/dbraw/zinc/04/41/97/203044197.db2.gz	HOGWFZLQKTXNSW-UHFFFAOYSA-N	-1	0	299.334	0.883	20	30		CCEDRM
C=CC(C)(C)CCNC(=O)C(=O)NC[C@@H](C)C(=O)[O-]	ZINC000627279267	368942428	/nfs/dbraw/zinc/94/24/28/368942428.db2.gz	JUOFCNVENNLYII-SECBINFHSA-N	-1	0	270.329	0.542	20	30		CCEDRM
C=CC[C@H]1CCN(C(=O)C(=O)NC[C@H](C(=O)[O-])C(C)C)C1	ZINC000627279403	368942562	/nfs/dbraw/zinc/94/25/62/368942562.db2.gz	MKJZKGYNIAPXIV-RYUDHWBXSA-N	-1	0	296.367	0.884	20	30		CCEDRM
C=CC[C@H]1CCN(C(=O)C(=O)N=c2cc(C)c(C)n[n-]2)C1	ZINC000627733175	369086183	/nfs/dbraw/zinc/08/61/83/369086183.db2.gz	NAONAMUAGSJBPA-LBPRGKRZSA-N	-1	0	288.351	0.878	20	30		CCEDRM
C=CCCS(=O)(=O)NCc1ncc(C(=O)[O-])cn1	ZINC000629314452	369631039	/nfs/dbraw/zinc/63/10/39/369631039.db2.gz	SQRJZVCTTQFEJS-UHFFFAOYSA-N	-1	0	271.298	0.170	20	30		CCEDRM
C=CC[C@H](NS(=O)(=O)C[C@H](OCC)C1CC1)C(=O)[O-]	ZINC000629295206	369622911	/nfs/dbraw/zinc/62/29/11/369622911.db2.gz	GPPKDWPHJCMGOF-QWRGUYRKSA-N	-1	0	291.369	0.750	20	30		CCEDRM
C=CCOC[C@@H](NC(=O)c1cn(CC)nc1C)C(=O)[O-]	ZINC000630186049	369996061	/nfs/dbraw/zinc/99/60/61/369996061.db2.gz	KIYNHIVUDKPOTQ-LLVKDONJSA-N	-1	0	281.312	0.597	20	30		CCEDRM
C=CCOC[C@H](NC(=O)c1cc[nH]c1C)C(=O)[O-]	ZINC000630186407	369996349	/nfs/dbraw/zinc/99/63/49/369996349.db2.gz	QNAARKGRXXMYHL-JTQLQIEISA-N	-1	0	252.270	0.709	20	30		CCEDRM
C=C(C)C[C@H](NC(=O)c1snnc1C)C(=O)[O-]	ZINC000630318376	370045895	/nfs/dbraw/zinc/04/58/95/370045895.db2.gz	ZNBYCDWPBCGZEU-ZETCQYMHSA-N	-1	0	255.299	0.996	20	30		CCEDRM
C=C(C)CS(=O)(=O)NC[C@@]1(C(=O)[O-])CCCOC1	ZINC000630431731	370113340	/nfs/dbraw/zinc/11/33/40/370113340.db2.gz	ICTJVCAKGSCQHE-NSHDSACASA-N	-1	0	277.342	0.363	20	30		CCEDRM
C=C(C)C[C@H](NS(=O)(=O)c1ccoc1)C(=O)[O-]	ZINC000630438330	370116986	/nfs/dbraw/zinc/11/69/86/370116986.db2.gz	OIYDPMBHVMPGTA-VIFPVBQESA-N	-1	0	259.283	0.977	20	30		CCEDRM
C=C(C)C[C@H](NS(=O)(=O)c1cccnc1)C(=O)[O-]	ZINC000630438665	370117406	/nfs/dbraw/zinc/11/74/06/370117406.db2.gz	VXPIJZZFDLNWKL-JTQLQIEISA-N	-1	0	270.310	0.779	20	30		CCEDRM
C=C(C)C[C@H](NC(=O)NCCCn1cccn1)C(=O)[O-]	ZINC000630467476	370127905	/nfs/dbraw/zinc/12/79/05/370127905.db2.gz	BMAWBLZWXKRMPV-NSHDSACASA-N	-1	0	280.328	0.992	20	30		CCEDRM
C=C(C)C[C@@H](NC(=O)NCC[C@@H](COC)OC)C(=O)[O-]	ZINC000630481551	370130358	/nfs/dbraw/zinc/13/03/58/370130358.db2.gz	MPFARIMXWWWWIM-WDEREUQCSA-N	-1	0	288.344	0.757	20	30		CCEDRM
C=CCCNC(=O)N1C[C@@H](OC)C[C@]1(C)C(=O)[O-]	ZINC000630481009	370130439	/nfs/dbraw/zinc/13/04/39/370130439.db2.gz	CKWKWFLNFXFUEP-JOYOIKCWSA-N	-1	0	256.302	0.836	20	30		CCEDRM
COc1cc(F)c(S(=O)(=O)NCC#CCO)c(F)c1	ZINC000632516518	371117963	/nfs/dbraw/zinc/11/79/63/371117963.db2.gz	KLWBZMHUOVBEJN-UHFFFAOYSA-N	-1	0	291.275	0.247	20	30		CCEDRM
C=CCCCNC(=O)N=c1ccc(C(=O)NC)n[n-]1	ZINC000640336667	376329112	/nfs/dbraw/zinc/32/91/12/376329112.db2.gz	JNEXQZMBKDMBSP-UHFFFAOYSA-N	-1	0	263.301	0.346	20	30		CCEDRM
N#Cc1c(C2CC2)[n-][nH]c1=NC(=O)[C@@H]1CC(=O)N(C2CC2)C1	ZINC000574791755	335047595	/nfs/dbraw/zinc/04/75/95/335047595.db2.gz	UOQQJMGEIXVESB-SECBINFHSA-N	-1	0	299.334	0.530	20	30		CCEDRM
C#CCOc1ccc(C(=O)NC[C@H](OC)C(=O)[O-])cc1	ZINC000263131387	533183519	/nfs/dbraw/zinc/18/35/19/533183519.db2.gz	SXXQBZZIIIABJD-LBPRGKRZSA-N	-1	0	277.276	0.528	20	30		CCEDRM
C#CC[C@H](Cc1ccccc1)NC(=O)CN1CC(=O)NC1=O	ZINC000287415233	388851571	/nfs/dbraw/zinc/85/15/71/388851571.db2.gz	PZUCEJWBAWNINY-CYBMUJFWSA-N	-1	0	299.330	0.289	20	30		CCEDRM
C#C[C@H](C)NC(=O)Nc1ccc(F)c(S(=O)(=O)NC)c1	ZINC000287023698	388847873	/nfs/dbraw/zinc/84/78/73/388847873.db2.gz	GONYBQDYRSQDEO-QMMMGPOBSA-N	-1	0	299.327	0.877	20	30		CCEDRM
Cn1cc(CCC(=O)Nc2nc(C#N)c(C#N)[n-]2)cn1	ZINC000048682552	388899000	/nfs/dbraw/zinc/89/90/00/388899000.db2.gz	UYCNDGHKDJIYME-UHFFFAOYSA-N	-1	0	269.268	0.458	20	30		CCEDRM
COc1ccc(S(=O)(=O)[N-]c2c(C#N)cnn2C)cn1	ZINC000194809458	389104662	/nfs/dbraw/zinc/10/46/62/389104662.db2.gz	POSPKAJIOWSTTC-UHFFFAOYSA-N	-1	0	293.308	0.496	20	30		CCEDRM
C=CCOCC(=O)N[C@H]1CCN([C@H](C(=O)[O-])C(C)C)C1=O	ZINC000358723384	389158685	/nfs/dbraw/zinc/15/86/85/389158685.db2.gz	YUUCCWFQDCUXMZ-JQWIXIFHSA-N	-1	0	298.339	0.015	20	30		CCEDRM
CC(C)C[C@@H](CNS(=O)(=O)N(C)CCC#N)C(=O)[O-]	ZINC000359143728	389167279	/nfs/dbraw/zinc/16/72/79/389167279.db2.gz	NQDURABBHUSZLR-JTQLQIEISA-N	-1	0	291.373	0.413	20	30		CCEDRM
CN(C)C(=O)NCCN=C([O-])Nc1cccn(C)c1=O	ZINC000330713591	389252951	/nfs/dbraw/zinc/25/29/51/389252951.db2.gz	RLBOQWJOQSDPFX-UHFFFAOYSA-N	-1	0	281.316	0.187	20	30		CCEDRM
Cn1cc(C#N)c([N-]S(=O)(=O)c2cccnc2)n1	ZINC000135424012	389257086	/nfs/dbraw/zinc/25/70/86/389257086.db2.gz	HWKFRJACUXPBFH-UHFFFAOYSA-N	-1	0	263.282	0.488	20	30		CCEDRM
C=CC[C@@H](CO)CNC(=O)N=c1ccc(OC(C)C)n[n-]1	ZINC000346499811	389330316	/nfs/dbraw/zinc/33/03/16/389330316.db2.gz	CTBVDTGFYBDIKB-LLVKDONJSA-N	-1	0	294.355	0.992	20	30		CCEDRM
Cc1nn(C)c(C)c1OCC(=O)Nc1nc(C#N)c(C#N)[n-]1	ZINC000160708470	389397744	/nfs/dbraw/zinc/39/77/44/389397744.db2.gz	PSGMAWPHFJBRLS-UHFFFAOYSA-N	-1	0	299.294	0.521	20	30		CCEDRM
CCn1cc(S(=O)(=O)[N-]c2n[nH]cc2C#N)cn1	ZINC000160955762	389402749	/nfs/dbraw/zinc/40/27/49/389402749.db2.gz	QURMMQSBHZOFPB-UHFFFAOYSA-N	-1	0	266.286	0.299	20	30		CCEDRM
CO/N=C/c1ccc(C(=O)NCCC(=O)[O-])cc1	ZINC000269194074	389406852	/nfs/dbraw/zinc/40/68/52/389406852.db2.gz	PGQOEHYKDIAQGZ-RIYZIHGNSA-N	-1	0	250.254	0.871	20	30		CCEDRM
C=CCCn1cc(C(=O)N[C@H](CCOC)C(=O)[O-])nn1	ZINC000425235576	389642751	/nfs/dbraw/zinc/64/27/51/389642751.db2.gz	DPMBIDABYULIPT-SECBINFHSA-N	-1	0	282.300	0.074	20	30		CCEDRM
C=CCCn1cc(C(=O)N[C@H](CC(F)F)C(=O)[O-])nn1	ZINC000425257035	389642845	/nfs/dbraw/zinc/64/28/45/389642845.db2.gz	PKMUZHMMBIKHAM-SSDOTTSWSA-N	-1	0	288.254	0.692	20	30		CCEDRM
Cc1cc(NC(=O)Cn2cnc(C#N)n2)ccc1C(=O)[O-]	ZINC000179530430	389659091	/nfs/dbraw/zinc/65/90/91/389659091.db2.gz	QAVXPQJMHIPGQG-UHFFFAOYSA-N	-1	0	285.263	0.795	20	30		CCEDRM
N#Cc1csc(CN[C@@]2(C(=O)[O-])CCOC2)c1	ZINC000417561300	389831182	/nfs/dbraw/zinc/83/11/82/389831182.db2.gz	DDARKBQWZJSBGA-NSHDSACASA-N	-1	0	252.295	0.953	20	30		CCEDRM
COC(=O)c1ccc(C(=O)N=c2[n-]n(C)cc2C#N)o1	ZINC000432738459	389887896	/nfs/dbraw/zinc/88/78/96/389887896.db2.gz	RICXDRUGIXAEKG-UHFFFAOYSA-N	-1	0	274.236	0.346	20	30		CCEDRM
N#Cc1cc(F)c(C(=O)Nc2nnn[n-]2)c(F)c1	ZINC000446313334	389934185	/nfs/dbraw/zinc/93/41/85/389934185.db2.gz	ZJRQTEFAZPMPNQ-UHFFFAOYSA-N	-1	0	250.168	0.602	20	30		CCEDRM
C=CCCCNC(=O)C(=O)N1CC[C@@](C)(C(=O)[O-])C1	ZINC000420572557	390013190	/nfs/dbraw/zinc/01/31/90/390013190.db2.gz	YSHKYJAGPRDTOC-CYBMUJFWSA-N	-1	0	268.313	0.392	20	30		CCEDRM
C=CCS(=O)(=O)[N-]C(=O)/C=C/c1nccn1CC	ZINC000492549063	390118190	/nfs/dbraw/zinc/11/81/90/390118190.db2.gz	KLKOMSRREXONAM-AATRIKPKSA-N	-1	0	269.326	0.548	20	30		CCEDRM
N#Cc1ccc(/C=C\C(=O)NCc2n[n-]c(=N)o2)cc1	ZINC000493168127	390120141	/nfs/dbraw/zinc/12/01/41/390120141.db2.gz	RIKJOHDTMRQJSJ-WAYWQWQTSA-N	-1	0	269.264	0.683	20	30		CCEDRM
C=CCC1(S(=O)(=O)[N-]C(=O)/C=C/c2ccnn2C)CC1	ZINC000493699991	390127476	/nfs/dbraw/zinc/12/74/76/390127476.db2.gz	XCFVGCWADOETPH-SNAWJCMRSA-N	-1	0	295.364	0.988	20	30		CCEDRM
CCCc1nc(=NC(=O)[C@H](N)CCCC#N)s[n-]1	ZINC000579100306	390140631	/nfs/dbraw/zinc/14/06/31/390140631.db2.gz	HRCBRBJGBJHDMM-MRVPVSSYSA-N	-1	0	267.358	0.872	20	30		CCEDRM
C=CCn1cc(C(=O)N2CCC[C@@H]2C(=O)[O-])nn1	ZINC000647727405	390147636	/nfs/dbraw/zinc/14/76/36/390147636.db2.gz	CRMMKFMJBRJDND-SECBINFHSA-N	-1	0	250.258	0.153	20	30		CCEDRM
C=CCCO[C@@H](C)C(=O)Nc1ncn(CC(=O)[O-])n1	ZINC000647782228	390170780	/nfs/dbraw/zinc/17/07/80/390170780.db2.gz	ASBJRBUGWFJRTL-QMMMGPOBSA-N	-1	0	268.273	0.282	20	30		CCEDRM
COCCOc1ccc(C#N)cc1[N-]S(C)(=O)=O	ZINC000541306598	390238398	/nfs/dbraw/zinc/23/83/98/390238398.db2.gz	BNMJSRLABJLXCB-UHFFFAOYSA-N	-1	0	270.310	0.955	20	30		CCEDRM
C=CCn1cc(C(=O)NC2(c3nnn[n-]3)CCCC2)nn1	ZINC000648788374	390409958	/nfs/dbraw/zinc/40/99/58/390409958.db2.gz	CMESZNQQIKJGNW-UHFFFAOYSA-N	-1	0	288.315	0.177	20	30		CCEDRM
N#Cc1ccc(S(=O)(=O)N[C@@H](C(=O)[O-])C2CC2)o1	ZINC000554533681	390431493	/nfs/dbraw/zinc/43/14/93/390431493.db2.gz	YVLLDUQWDPIXHG-SECBINFHSA-N	-1	0	270.266	0.293	20	30		CCEDRM
C[C@H]1[C@H](C(=O)[O-])CCN1S(=O)(=O)CC1(C#N)CC1	ZINC000554677975	390439244	/nfs/dbraw/zinc/43/92/44/390439244.db2.gz	VLZRJMMSZWPGLY-DTWKUNHWSA-N	-1	0	272.326	0.415	20	30		CCEDRM
C[C@H](CCCNS(=O)(=O)N(C)[C@H](C)CC#N)C(=O)[O-]	ZINC000564732954	390496378	/nfs/dbraw/zinc/49/63/78/390496378.db2.gz	WHHQCFPTONVEJE-NXEZZACHSA-N	-1	0	291.373	0.556	20	30		CCEDRM
C=CCC[C@H](NS(=O)(=O)[C@@H]1CCO[C@@H]1C)C(=O)[O-]	ZINC000646044640	390582921	/nfs/dbraw/zinc/58/29/21/390582921.db2.gz	NGKPBSJACDZWGG-KXUCPTDWSA-N	-1	0	277.342	0.503	20	30		CCEDRM
C=CCn1cc(C(=O)NCC2(C(=O)[O-])CCCC2)nn1	ZINC000649245710	390535129	/nfs/dbraw/zinc/53/51/29/390535129.db2.gz	SOQHCAWIJFKWLF-UHFFFAOYSA-N	-1	0	278.312	0.839	20	30		CCEDRM
C=CCCCS(=O)(=O)N1CCC[C@@H]([C@H](O)C(=O)[O-])C1	ZINC000566807226	390650538	/nfs/dbraw/zinc/65/05/38/390650538.db2.gz	IHQMVJBEVCPNAB-MNOVXSKESA-N	-1	0	291.369	0.440	20	30		CCEDRM
C=CCCS(=O)(=O)N1CCC[C@@]1(COC)C(=O)[O-]	ZINC000643971990	390612014	/nfs/dbraw/zinc/61/20/14/390612014.db2.gz	HSVIRLYMDMZZPC-LLVKDONJSA-N	-1	0	277.342	0.458	20	30		CCEDRM
C=CCCS(=O)(=O)N[C@@H](C(=O)[O-])[C@@H]1CCCOC1	ZINC000567691512	390710670	/nfs/dbraw/zinc/71/06/70/390710670.db2.gz	YSRUVVZMJBISNH-NXEZZACHSA-N	-1	0	277.342	0.362	20	30		CCEDRM
C[C@H](C#N)CN(C)S(=O)(=O)N(C)CC(C)(C)C(=O)[O-]	ZINC000568001380	390711934	/nfs/dbraw/zinc/71/19/34/390711934.db2.gz	YUGVJLCEXYURBF-SECBINFHSA-N	-1	0	291.373	0.365	20	30		CCEDRM
C=CCOC[C@@H](NC(=O)NC[C@@H](C)COC)C(=O)[O-]	ZINC000569904097	390716820	/nfs/dbraw/zinc/71/68/20/390716820.db2.gz	CYPYZAHUJFQZAM-NXEZZACHSA-N	-1	0	274.317	0.224	20	30		CCEDRM
C=CCC[C@H](NC(=O)N[C@@H](C)Cn1cncn1)C(=O)[O-]	ZINC000570022842	390717149	/nfs/dbraw/zinc/71/71/49/390717149.db2.gz	VQQSPPNDVJJFQK-UWVGGRQHSA-N	-1	0	281.316	0.385	20	30		CCEDRM
C=CCCS(=O)(=O)N(CCC(=O)[O-])C[C@@H]1CCCO1	ZINC000570157920	390717592	/nfs/dbraw/zinc/71/75/92/390717592.db2.gz	GONWSTNEDPITNK-NSHDSACASA-N	-1	0	291.369	0.848	20	30		CCEDRM
COCc1nc(C(=O)N=c2[nH][n-]c(C)c2C#N)co1	ZINC000578272589	390874447	/nfs/dbraw/zinc/87/44/47/390874447.db2.gz	VOWVYYYGFWSALW-UHFFFAOYSA-N	-1	0	261.241	0.398	20	30		CCEDRM
C[C@H](C(=O)N1CC(n2cc(C#N)c(=O)[n-]c2=O)C1)C1CC1	ZINC000530270556	390875847	/nfs/dbraw/zinc/87/58/47/390875847.db2.gz	NNZGEHGZEUDIAB-QMMMGPOBSA-N	-1	0	288.307	0.250	20	30		CCEDRM
CC1CC(C#N)(C(=O)NCCCc2n[nH]c(=O)[n-]2)C1	ZINC000532267957	390879062	/nfs/dbraw/zinc/87/90/62/390879062.db2.gz	KNICBGULEOCMKN-UHFFFAOYSA-N	-1	0	263.301	0.499	20	30		CCEDRM
Cc1cc(C#N)ccc1S(=O)(=O)N(C)CC(=O)[O-]	ZINC000230274680	130898756	/nfs/dbraw/zinc/89/87/56/130898756.db2.gz	TXXCDPPPFHJGMH-UHFFFAOYSA-N	-1	0	268.294	0.572	20	30		CCEDRM
Cc1nc(C(=O)N[C@H](CF)C(=O)[O-])ccc1C#N	ZINC000262893865	131271592	/nfs/dbraw/zinc/27/15/92/131271592.db2.gz	IBVXFBGASBQRCZ-SECBINFHSA-N	-1	0	251.217	0.414	20	30		CCEDRM
Cc1[n-][nH]c(=NC(=O)c2ccc3nnc(C)n3c2)c1C#N	ZINC000357236553	144071638	/nfs/dbraw/zinc/07/16/38/144071638.db2.gz	CSEVKZPWQMAPGJ-UHFFFAOYSA-N	-1	0	281.279	0.615	20	30		CCEDRM
CC[C@@H]1C[C@@H](C(=O)N=c2[nH][n-]c(C)c2C#N)CC(=O)N1	ZINC000357235787	144072017	/nfs/dbraw/zinc/07/20/17/144072017.db2.gz	WXDWMJDGLHOACN-RKDXNWHRSA-N	-1	0	275.312	0.255	20	30		CCEDRM
CN(CCC(=O)[O-])S(=O)(=O)c1ccsc1C#N	ZINC000593269333	397584819	/nfs/dbraw/zinc/58/48/19/397584819.db2.gz	LOYSLCFZKWORLX-UHFFFAOYSA-N	-1	0	274.323	0.715	20	30		CCEDRM
N#Cc1ccc(C(=O)[N-]S(=O)(=O)[C@@H]2CCOC2)s1	ZINC000408485023	144476013	/nfs/dbraw/zinc/47/60/13/144476013.db2.gz	GIVJLSWJKWNIRZ-MRVPVSSYSA-N	-1	0	286.334	0.468	20	30		CCEDRM
C=CCOCCNC(=O)N1CCCC[C@@H]1C(=O)[O-]	ZINC000310845660	411748327	/nfs/dbraw/zinc/74/83/27/411748327.db2.gz	PDBXTEQJBMSFGF-SNVBAGLBSA-N	-1	0	256.302	0.838	20	30		CCEDRM
C=C(C)CCNC(=O)C(=O)N=c1ncn(C(C)C)[n-]1	ZINC000651835687	411941029	/nfs/dbraw/zinc/94/10/29/411941029.db2.gz	WDMLGJXDWSUZQT-UHFFFAOYSA-N	-1	0	265.317	0.302	20	30		CCEDRM
C=CCOC[C@H](NC(=O)c1cc(C)nn1CC)C(=O)[O-]	ZINC000653658096	412331493	/nfs/dbraw/zinc/33/14/93/412331493.db2.gz	XDKKPDCFFIVEPP-JTQLQIEISA-N	-1	0	281.312	0.597	20	30		CCEDRM
C=CCOCCNC(=O)N(C)[C@@H](COCC)C(=O)[O-]	ZINC000654813817	412440836	/nfs/dbraw/zinc/44/08/36/412440836.db2.gz	GHAWRTYBLYQVHE-JTQLQIEISA-N	-1	0	274.317	0.320	20	30		CCEDRM
C=C(C)CN(CC)C(=O)CN1CCC[C@H]1C(=O)[O-]	ZINC000035301543	172115235	/nfs/dbraw/zinc/11/52/35/172115235.db2.gz	MRJVSZYIXCIXNM-NSHDSACASA-N	-1	0	254.330	0.960	20	30		CCEDRM
C=CCCCNC(=O)C(=O)NCC1(C(=O)[O-])CCC1	ZINC000659657062	413757035	/nfs/dbraw/zinc/75/70/35/413757035.db2.gz	AUEPWIGKSJIVRD-UHFFFAOYSA-N	-1	0	268.313	0.440	20	30		CCEDRM
CCOC(=O)CS(=O)(=O)[N-]c1ccccc1C#N	ZINC000042534382	174782240	/nfs/dbraw/zinc/78/22/40/174782240.db2.gz	WBQKUZHCUVFNQL-UHFFFAOYSA-N	-1	0	268.294	0.863	20	30		CCEDRM
C=CCOCCNC(=O)NC[C@H](C(=O)[O-])C1CCC1	ZINC000665308973	415593664	/nfs/dbraw/zinc/59/36/64/415593664.db2.gz	JEHXHZMMPCDVLU-NSHDSACASA-N	-1	0	270.329	0.989	20	30		CCEDRM
N#Cc1cc(F)ccc1CN1CCO[C@H](C(=O)[O-])C1	ZINC000071263988	176097625	/nfs/dbraw/zinc/09/76/25/176097625.db2.gz	FWSPLSDYGYZJKZ-LBPRGKRZSA-N	-1	0	264.256	0.983	20	30		CCEDRM
C=CCCS(=O)(=O)N1CCC(COC)(C(=O)[O-])CC1	ZINC000370543397	260080614	/nfs/dbraw/zinc/08/06/14/260080614.db2.gz	HDDFDOSMKSZDLM-UHFFFAOYSA-N	-1	0	291.369	0.706	20	30		CCEDRM
Cn1nc(C(C)(C)C)cc1C(=O)[N-]S(C)(=O)=O	ZINC000069539402	260150447	/nfs/dbraw/zinc/15/04/47/260150447.db2.gz	KGARANBKUNQWQE-UHFFFAOYSA-N	-1	0	259.331	0.982	20	30		CCEDRM
C=CCCO[C@@H](C)C(=O)N1CCO[C@H](c2nnn[n-]2)C1	ZINC000364530536	262252961	/nfs/dbraw/zinc/25/29/61/262252961.db2.gz	YXZPBYLNBCVNOR-UWVGGRQHSA-N	-1	0	281.316	0.081	20	30		CCEDRM
N#CC1(CNS(=O)(=O)[N-]CC(F)(F)F)CCC1	ZINC000416672894	263744453	/nfs/dbraw/zinc/74/44/53/263744453.db2.gz	SEBHSLSJNCADFN-UHFFFAOYSA-N	-1	0	271.264	0.667	20	30		CCEDRM
CCCc1nc(=NC(=O)NC[C@]2(O)CCOC2)s[n-]1	ZINC000330813237	264045109	/nfs/dbraw/zinc/04/51/09/264045109.db2.gz	BEHWQXSXIHAXON-LLVKDONJSA-N	-1	0	286.357	0.390	20	30		CCEDRM
CC[C@@H](C)N(CC(=O)[O-])S(=O)(=O)N(C)C[C@@H](C)C#N	ZINC000417425597	264243060	/nfs/dbraw/zinc/24/30/60/264243060.db2.gz	ZBZBLIJKIQRONT-VHSXEESVSA-N	-1	0	291.373	0.508	20	30		CCEDRM
COc1ccc(=NC(=O)N2CCC(C#N)CC2)[n-]n1	ZINC000356441230	266114486	/nfs/dbraw/zinc/11/44/86/266114486.db2.gz	ADAPXZQVLMNXOQ-UHFFFAOYSA-N	-1	0	261.285	0.675	20	30		CCEDRM
C=C[C@H](CO)NC(=O)c1nn(-c2ccc(F)cc2)cc1[O-]	ZINC000356868382	266198709	/nfs/dbraw/zinc/19/87/09/266198709.db2.gz	BBQVODYEVLRNDY-SNVBAGLBSA-N	-1	0	291.282	0.994	20	30		CCEDRM
CCCC[C@@H](NS(=O)(=O)N(C)CCC#N)C(=O)[O-]	ZINC000359088634	266533276	/nfs/dbraw/zinc/53/32/76/266533276.db2.gz	QFKTXGNXPWWVPW-SECBINFHSA-N	-1	0	277.346	0.310	20	30		CCEDRM
CC[C@H]1C[C@@H](C(=O)Nc2nc(C#N)c(C#N)[n-]2)CC(=O)N1	ZINC000350009119	288338133	/nfs/dbraw/zinc/33/81/33/288338133.db2.gz	POBYANSEMPGMLY-SFYZADRCSA-N	-1	0	286.295	0.396	20	30		CCEDRM
Cc1ccc(C#N)cc1S(=O)(=O)N[C@@H](C)C(=O)[O-]	ZINC000070430292	301489880	/nfs/dbraw/zinc/48/98/80/301489880.db2.gz	DTOVMKAGTNKNGE-QMMMGPOBSA-N	-1	0	268.294	0.618	20	30		CCEDRM
Cc1n[n-]c(=NC(=O)N[C@H]2CCCS(=O)(=O)C2)s1	ZINC000329320792	302464226	/nfs/dbraw/zinc/46/42/26/302464226.db2.gz	UFPACKMJRZWCEP-ZETCQYMHSA-N	-1	0	290.370	0.172	20	30		CCEDRM
C[C@@H](C#N)N(C)C(=O)C(C)(C)[N-]C(=O)C(F)(F)F	ZINC000297936252	328294999	/nfs/dbraw/zinc/29/49/99/328294999.db2.gz	SOOJXKMJCYKWEB-LURJTMIESA-N	-1	0	265.235	0.814	20	30		CCEDRM
C=C(C)COCCNC(=O)N1CC[C@@H](C(=O)[O-])C1	ZINC000164157373	328302066	/nfs/dbraw/zinc/30/20/66/328302066.db2.gz	YSBOAGSBDYDVAQ-SNVBAGLBSA-N	-1	0	256.302	0.695	20	30		CCEDRM
C=CC[C@@H](CC)NC(=O)CSc1n[nH]c(=O)[n-]1	ZINC000281858646	328504106	/nfs/dbraw/zinc/50/41/06/328504106.db2.gz	YQNZVFYNKJYLNY-SSDOTTSWSA-N	-1	0	256.331	0.661	20	30		CCEDRM
Cc1nc2cc(=O)[n-]n2c(C)c1CC(=O)N(CC#N)CC#N	ZINC000557754310	327025133	/nfs/dbraw/zinc/02/51/33/327025133.db2.gz	VSSGNUIJYOMEGJ-UHFFFAOYSA-N	-1	0	298.306	0.470	20	30		CCEDRM
C=CCOC[C@@H](NS(=O)(=O)Cc1ccccc1)C(=O)[O-]	ZINC000568997902	327028090	/nfs/dbraw/zinc/02/80/90/327028090.db2.gz	QGAZUWUIPFOZHR-GFCCVEGCSA-N	-1	0	299.348	0.762	20	30		CCEDRM
C=CCOC[C@H](NC(=O)N[C@@H]1CC[C@H](OC)C1)C(=O)[O-]	ZINC000584157224	327052191	/nfs/dbraw/zinc/05/21/91/327052191.db2.gz	BVCARUIERXAKOH-VWYCJHECSA-N	-1	0	286.328	0.509	20	30		CCEDRM
C=CCN(CC(=O)[O-])S(=O)(=O)c1ccc(OC)nc1	ZINC000573203335	327124211	/nfs/dbraw/zinc/12/42/11/327124211.db2.gz	ABEIEZAWAYQZMT-UHFFFAOYSA-N	-1	0	286.309	0.352	20	30		CCEDRM
CC#CC[C@@H](NS(=O)(=O)CCC1CCC1)C(=O)[O-]	ZINC000566312126	327303418	/nfs/dbraw/zinc/30/34/18/327303418.db2.gz	LHFVPTXSCDBGIE-LLVKDONJSA-N	-1	0	273.354	0.963	20	30		CCEDRM
CC[C@](C)(CNS(=O)(=O)N(C)[C@H](C)CC#N)C(=O)[O-]	ZINC000566313473	327304463	/nfs/dbraw/zinc/30/44/63/327304463.db2.gz	WSVJTPNADOWLJV-MWLCHTKSSA-N	-1	0	291.373	0.556	20	30		CCEDRM
C=CCCCS(=O)(=O)N[C@@H](C(=O)[O-])[C@@H]1CCOC1	ZINC000574822424	327383349	/nfs/dbraw/zinc/38/33/49/327383349.db2.gz	VNSYVWFQGAGROP-NXEZZACHSA-N	-1	0	277.342	0.362	20	30		CCEDRM
C=C[C@@H]1OCC[C@H]1C(=O)[N-]S(=O)(=O)CC1CCC1	ZINC000408492209	327477315	/nfs/dbraw/zinc/47/73/15/327477315.db2.gz	JJKNEQBVFWSUKG-MNOVXSKESA-N	-1	0	273.354	0.824	20	30		CCEDRM
C=CCCn1cc(C(=O)NC[C@@H](C)C(=O)[O-])nn1	ZINC000425238208	329646447	/nfs/dbraw/zinc/64/64/47/329646447.db2.gz	IMDVQOGAFCXTAU-MRVPVSSYSA-N	-1	0	252.274	0.305	20	30		CCEDRM
CN(C)C(=O)c1ccc(=N[C@@H]2CC[C@H](C#N)C2)[n-]n1	ZINC000425278181	329653047	/nfs/dbraw/zinc/65/30/47/329653047.db2.gz	YWLVVRSGQVKVNG-VHSXEESVSA-N	-1	0	259.313	0.704	20	30		CCEDRM
C=CC[C@H](CC)NC(=O)C(=O)N(C)CCCC(=O)[O-]	ZINC000420563761	329774892	/nfs/dbraw/zinc/77/48/92/329774892.db2.gz	PUEXYFQFPLNTSO-JTQLQIEISA-N	-1	0	270.329	0.781	20	30		CCEDRM
C=CCNS(=O)(=O)c1ccc(OC)c(CC(=O)[O-])c1	ZINC000571809241	329919711	/nfs/dbraw/zinc/91/97/11/329919711.db2.gz	VUWOPDPFJHGKTP-UHFFFAOYSA-N	-1	0	285.321	0.787	20	30		CCEDRM
CC1(C)CN(S(=O)(=O)CCCC#N)[C@@H](C(=O)[O-])CO1	ZINC000571976262	329934317	/nfs/dbraw/zinc/93/43/17/329934317.db2.gz	XGRALLVTOWVFTN-SECBINFHSA-N	-1	0	290.341	0.184	20	30		CCEDRM
C=CCC[C@H](NC(=O)CCCC(=O)NCC)C(=O)[O-]	ZINC000262786305	330031279	/nfs/dbraw/zinc/03/12/79/330031279.db2.gz	BMRYCPWAQFGPCW-JTQLQIEISA-N	-1	0	270.329	0.828	20	30		CCEDRM
C=CCCO[C@@H](C)C(=O)N[C@@]1(CC(=O)[O-])CCOC1	ZINC000262854615	330035404	/nfs/dbraw/zinc/03/54/04/330035404.db2.gz	DVYLPHUEUAJFOV-GXFFZTMASA-N	-1	0	271.313	0.718	20	30		CCEDRM
C=CCC[C@@H](NC(=O)[C@@H](C)NC(=O)c1ccoc1)C(=O)[O-]	ZINC000262912468	330036630	/nfs/dbraw/zinc/03/66/30/330036630.db2.gz	NHXQJUZJHDDUFZ-MWLCHTKSSA-N	-1	0	294.307	0.934	20	30		CCEDRM
C=CCOC[C@@H](NC(=O)c1cc(C2CC2)on1)C(=O)[O-]	ZINC000263132206	330044992	/nfs/dbraw/zinc/04/49/92/330044992.db2.gz	WATPLOSPRVCKBA-SNVBAGLBSA-N	-1	0	280.280	0.938	20	30		CCEDRM
CCN(C[C@H](C)C#N)S(=O)(=O)N(C)C[C@H](C)C(=O)[O-]	ZINC000263502946	330058169	/nfs/dbraw/zinc/05/81/69/330058169.db2.gz	ULMQMRRZINBVKV-ZJUUUORDSA-N	-1	0	291.373	0.365	20	30		CCEDRM
CCN(C[C@H](C)C#N)S(=O)(=O)N[C@H](C(=O)[O-])C(C)C	ZINC000263552011	330059313	/nfs/dbraw/zinc/05/93/13/330059313.db2.gz	LOEFMWLCVQUCPH-ZJUUUORDSA-N	-1	0	291.373	0.412	20	30		CCEDRM
C=CC[C@@H](CO)NC(=O)c1cc([O-])cc([N+](=O)[O-])c1	ZINC000274782699	330107525	/nfs/dbraw/zinc/10/75/25/330107525.db2.gz	OEWCLSODIQWZSB-VIFPVBQESA-N	-1	0	266.253	0.967	20	30		CCEDRM
C=C(C)CN(CC)C(=O)C(=O)N1CC[C@H](C(=O)[O-])C1	ZINC000422715989	330151691	/nfs/dbraw/zinc/15/16/91/330151691.db2.gz	TYFHGUAJDJEOLO-JTQLQIEISA-N	-1	0	268.313	0.344	20	30		CCEDRM
C=C(C)CN(CC)C(=O)C(=O)N1CC[C@@H](C(=O)[O-])C1	ZINC000422715990	330151776	/nfs/dbraw/zinc/15/17/76/330151776.db2.gz	TYFHGUAJDJEOLO-SNVBAGLBSA-N	-1	0	268.313	0.344	20	30		CCEDRM
C=C(C)C[C@@H](C)C(=O)N1CC2N=NC(=O)N2C[C@H]1C(=O)[O-]	ZINC000424224873	330330271	/nfs/dbraw/zinc/33/02/71/330330271.db2.gz	BOIAZBMSGLHVJC-BDAKNGLRSA-N	-1	0	294.311	0.381	20	30		CCEDRM
C=CC[C@@H](CO)CNC(=O)NCCC(C)(C)C(=O)[O-]	ZINC000424410667	330350413	/nfs/dbraw/zinc/35/04/13/330350413.db2.gz	ZGJDVDCZIKQAMA-SNVBAGLBSA-N	-1	0	272.345	0.971	20	30		CCEDRM
C=C[C@@H]1OCC[C@H]1CNC(=O)C(=O)N(C)CCCC(=O)[O-]	ZINC000424490054	330357087	/nfs/dbraw/zinc/35/70/87/330357087.db2.gz	SXJVAFXPSWVVBI-QWRGUYRKSA-N	-1	0	298.339	0.017	20	30		CCEDRM
COC(=O)CCc1n[n-]c(=NC(=O)N(C)CCC#N)s1	ZINC000443918934	330807518	/nfs/dbraw/zinc/80/75/18/330807518.db2.gz	WRIDWHSHNOSEIV-UHFFFAOYSA-N	-1	0	297.340	0.443	20	30		CCEDRM
C=CCNC(=O)NC(=O)[C@H](C)Sc1n[nH]c(=O)[n-]1	ZINC000446082038	330844375	/nfs/dbraw/zinc/84/43/75/330844375.db2.gz	XCFZEYYSBKKPPF-YFKPBYRVSA-N	-1	0	271.302	0.003	20	30		CCEDRM
C=CCC[C@H](CO)NC(=O)N=c1[n-]nc(CC)s1	ZINC000454193871	331141350	/nfs/dbraw/zinc/14/13/50/331141350.db2.gz	FFJGKTPHLAIZIT-MRVPVSSYSA-N	-1	0	270.358	0.971	20	30		CCEDRM
C=CCC[C@@H](CO)NC(=O)N=c1ncn(C(C)(C)C)[n-]1	ZINC000455125098	331161198	/nfs/dbraw/zinc/16/11/98/331161198.db2.gz	AAMYMNBATHVVTL-JTQLQIEISA-N	-1	0	281.360	0.904	20	30		CCEDRM
C=C(C)COCCNC(=O)N=c1nc(C)n(C)[n-]1	ZINC000455507017	331171197	/nfs/dbraw/zinc/17/11/97/331171197.db2.gz	CTNBCYMKKDJTDK-UHFFFAOYSA-N	-1	0	253.306	0.260	20	30		CCEDRM
C#C[C@H]1COCCN1C(=O)N=c1nc([C@H](C)OC)[n-]s1	ZINC000491778598	332343830	/nfs/dbraw/zinc/34/38/30/332343830.db2.gz	GHEOTMAPQQBUOH-IUCAKERBSA-N	-1	0	296.352	0.533	20	30		CCEDRM
CC(C)(C#N)CS(=O)(=O)[N-]C(=O)/C=C/C1CC1	ZINC000492368460	332394407	/nfs/dbraw/zinc/39/44/07/332394407.db2.gz	SDHDRSOMCLQINI-AATRIKPKSA-N	-1	0	256.327	0.948	20	30		CCEDRM
C#CCCS(=O)(=O)[N-]C(=O)/C=C/c1scnc1C	ZINC000493839552	332456130	/nfs/dbraw/zinc/45/61/30/332456130.db2.gz	BDAHYLIQMXMGGP-AATRIKPKSA-N	-1	0	284.362	0.934	20	30		CCEDRM
C[C@@H]1[C@H](C(=O)[O-])CCN1S(=O)(=O)CC1(CC#N)CC1	ZINC000575806854	335117404	/nfs/dbraw/zinc/11/74/04/335117404.db2.gz	VEZSLOTYLNEFIA-NXEZZACHSA-N	-1	0	286.353	0.805	20	30		CCEDRM
C#CCN(CC#C)S(=O)(=O)c1ccc(C(=O)[O-])c(F)c1	ZINC000185039847	333134865	/nfs/dbraw/zinc/13/48/65/333134865.db2.gz	VFNNNMGNLPUWGU-UHFFFAOYSA-N	-1	0	295.291	0.781	20	30		CCEDRM
C=CCCS(=O)(=O)Nc1cnn(C)c1C(=O)[O-]	ZINC000539194732	333660507	/nfs/dbraw/zinc/66/05/07/333660507.db2.gz	RGBWBWSVRBPCTB-UHFFFAOYSA-N	-1	0	259.287	0.436	20	30		CCEDRM
CN(CCC#N)S(=O)(=O)NCC1(C(=O)[O-])CCCC1	ZINC000547887969	334129024	/nfs/dbraw/zinc/12/90/24/334129024.db2.gz	DWXZVTLAYSKEMA-UHFFFAOYSA-N	-1	0	289.357	0.311	20	30		CCEDRM
COC[C@H](C(=O)[O-])N(C)S(=O)(=O)CCCCC#N	ZINC000548566426	334162632	/nfs/dbraw/zinc/16/26/32/334162632.db2.gz	RXILQJBRYHRFJM-SECBINFHSA-N	-1	0	278.330	0.041	20	30		CCEDRM
C=CCCS(=O)(=O)N[C@@H](C(=O)[O-])[C@@H](O)CCC	ZINC000548595209	334163209	/nfs/dbraw/zinc/16/32/09/334163209.db2.gz	NQMXWCGIXFUENI-DTWKUNHWSA-N	-1	0	265.331	0.096	20	30		CCEDRM
C=CCN(CC(=O)[O-])S(=O)(=O)c1c[nH]c2ncccc21	ZINC000092463981	334419180	/nfs/dbraw/zinc/41/91/80/334419180.db2.gz	YNTJRFRALFBPPM-UHFFFAOYSA-N	-1	0	295.320	0.824	20	30		CCEDRM
N#Cc1ccc(S(=O)(=O)NCc2cc(C(=O)[O-])co2)o1	ZINC000554429449	334429980	/nfs/dbraw/zinc/42/99/80/334429980.db2.gz	ARJMDGOWGZDUML-UHFFFAOYSA-N	-1	0	296.260	0.921	20	30		CCEDRM
C=CCCCNC(=O)C(=O)N1CC[C@H](C)[C@H](C(=O)[O-])C1	ZINC000564987612	334532344	/nfs/dbraw/zinc/53/23/44/334532344.db2.gz	ZOGGJELFRUFZEQ-WDEREUQCSA-N	-1	0	282.340	0.638	20	30		CCEDRM
C[C@H]1CCN(S(=O)(=O)CCC#N)C[C@H]1C(=O)[O-]	ZINC000565363151	334556225	/nfs/dbraw/zinc/55/62/25/334556225.db2.gz	ILCYKCXQPKOKBD-DTWKUNHWSA-N	-1	0	260.315	0.272	20	30		CCEDRM
C=CCC[C@@H](NC(=O)[C@H](C)NC(=O)c1ccco1)C(=O)[O-]	ZINC000262974883	334582253	/nfs/dbraw/zinc/58/22/53/334582253.db2.gz	SYXXJJZFQYRGNJ-VHSXEESVSA-N	-1	0	294.307	0.934	20	30		CCEDRM
C=C(C)CS(=O)(=O)N[C@H](CCSC)C(=O)[O-]	ZINC000566072159	334620485	/nfs/dbraw/zinc/62/04/85/334620485.db2.gz	YEHZYBQNSNOTRE-MRVPVSSYSA-N	-1	0	267.372	0.688	20	30		CCEDRM
C=CCOC[C@H](NC(=O)Nc1ccncc1)C(=O)[O-]	ZINC000566855269	334667176	/nfs/dbraw/zinc/66/71/76/334667176.db2.gz	DGYFSAIYMSIJDA-JTQLQIEISA-N	-1	0	265.269	0.281	20	30		CCEDRM
N#Cc1ccc(CS(=O)(=O)N2CC[C@H]2C(=O)[O-])cc1	ZINC000384609088	336127908	/nfs/dbraw/zinc/12/79/08/336127908.db2.gz	AWYQCCLTQXRQGF-NSHDSACASA-N	-1	0	280.305	0.547	20	30		CCEDRM
C[C@@H](Sc1n[n-]c(=N)s1)C(=O)NC1(C#N)CCC1	ZINC000331663844	534018561	/nfs/dbraw/zinc/01/85/61/534018561.db2.gz	YUWLMWPEZPEQTI-ZCFIWIBFSA-N	-1	0	283.382	0.994	20	30		CCEDRM
O=C(N=c1cn[n-]s1)N1CCOC[C@@H]1[C@@H]1CCC[C@H]1O	ZINC000329032546	534331405	/nfs/dbraw/zinc/33/14/05/534331405.db2.gz	LTZCBWMELIDVLA-IVZWLZJFSA-N	-1	0	298.368	0.945	20	30		CCEDRM
Cn1c(C#N)ccc1C(=O)N=c1ncn(C(C)(C)C)[n-]1	ZINC000450567504	534674738	/nfs/dbraw/zinc/67/47/38/534674738.db2.gz	UCDOFICVJTZFTR-UHFFFAOYSA-N	-1	0	272.312	0.917	20	30		CCEDRM
COCCN(CC(=O)[O-])S(=O)(=O)c1cccc(C#N)c1	ZINC000049607023	523667072	/nfs/dbraw/zinc/66/70/72/523667072.db2.gz	YXKQVQWHZPKLJV-UHFFFAOYSA-N	-1	0	298.320	0.280	20	30		CCEDRM
C[C@H](CNC(=O)COc1ccc(C#N)cc1)C(=O)[O-]	ZINC000054333133	524383911	/nfs/dbraw/zinc/38/39/11/524383911.db2.gz	MGJQILVPHUZNOM-SECBINFHSA-N	-1	0	262.265	0.774	20	30		CCEDRM
COc1cncc(S(=O)(=O)[N-]c2n[nH]cc2C#N)c1	ZINC000337282872	524929949	/nfs/dbraw/zinc/92/99/49/524929949.db2.gz	IQKAXXSPDPBZFH-UHFFFAOYSA-N	-1	0	279.281	0.486	20	30		CCEDRM
N#Cc1cc(F)c(CN=c2[n-]nc(CO)o2)c(F)c1	ZINC000340688233	526555748	/nfs/dbraw/zinc/55/57/48/526555748.db2.gz	FUQSZDIFFNVAIY-UHFFFAOYSA-N	-1	0	266.207	0.746	20	30		CCEDRM
C=CC[C@@H](CO)NC(=O)N=c1ncn(C(C)(C)C)[n-]1	ZINC000351256583	527088389	/nfs/dbraw/zinc/08/83/89/527088389.db2.gz	UTOGQYNKQHRENH-VIFPVBQESA-N	-1	0	267.333	0.514	20	30		CCEDRM
C=CCOC[C@H](NC(=O)[C@H]1CO[C@H](C)C1)C(=O)[O-]	ZINC000668290688	545171411	/nfs/dbraw/zinc/17/14/11/545171411.db2.gz	VTSLPQXJPINJMC-BBBLOLIVSA-N	-1	0	257.286	0.183	20	30		CCEDRM
COCC#CCN1CCC[C@H](c2n[nH]c(=O)[n-]2)C1	ZINC000676989626	545356132	/nfs/dbraw/zinc/35/61/32/545356132.db2.gz	JIKLZFBEDZMVSW-JTQLQIEISA-N	-1	0	250.302	0.340	20	30		CCEDRM
C[C@H]1CN=C(NN=Cc2ccc(O)c(C(=O)[O-])c2)N1	ZINC000777442553	581115895	/nfs/dbraw/zinc/11/58/95/581115895.db2.gz	KQLPROVHRZLXAD-ZETCQYMHSA-N	-1	0	262.269	0.362	20	30		CCEDRM
COC[C@@H](/N=C\c1cc([N+](=O)[O-])ccc1[O-])C(=O)OC	ZINC000777870624	581137939	/nfs/dbraw/zinc/13/79/39/581137939.db2.gz	VEQKYOZXDLNELQ-YRVKEHPISA-N	-1	0	282.252	0.907	20	30		CCEDRM
COC[C@H](/N=C/c1cc([N+](=O)[O-])ccc1[O-])C(=O)OC	ZINC000777870621	581137987	/nfs/dbraw/zinc/13/79/87/581137987.db2.gz	VEQKYOZXDLNELQ-FYTLYHSASA-N	-1	0	282.252	0.907	20	30		CCEDRM
C=CCNC(=O)C(C#N)=C([O-])c1ccn(CC(F)F)n1	ZINC000789404817	581147781	/nfs/dbraw/zinc/14/77/81/581147781.db2.gz	UBPKTAAWUDTQIL-QMMMGPOBSA-N	-1	0	282.250	0.773	20	30		CCEDRM
C=CCOc1cccc(NC(=O)C(=O)[N-]OCCOC)c1	ZINC000789825922	581158404	/nfs/dbraw/zinc/15/84/04/581158404.db2.gz	LYNNAPKMIIYCDD-UHFFFAOYSA-N	-1	0	294.307	0.884	20	30		CCEDRM
C[C@@H]1CN(CC(=O)NCCC#N)C[C@H](C)N1C(=O)[O-]	ZINC000739167272	581188117	/nfs/dbraw/zinc/18/81/17/581188117.db2.gz	ABALFVYHLHLLOG-AOOOYVTPSA-N	-1	0	268.317	0.089	20	30		CCEDRM
CNC(=O)C(C#N)=C([O-])c1sc2nccn2c1C	ZINC000780311747	581224666	/nfs/dbraw/zinc/22/46/66/581224666.db2.gz	FBSLAELZIGUWSA-SSDOTTSWSA-N	-1	0	262.294	0.773	20	30		CCEDRM
COc1cncc(C([O-])=C(C#N)C(=O)NC2CCCC2)n1	ZINC000791776917	581234004	/nfs/dbraw/zinc/23/40/04/581234004.db2.gz	ISPVKTFAMMZURV-SNVBAGLBSA-N	-1	0	288.307	0.866	20	30		CCEDRM
N#Cc1ccc(C(=O)[N-]S(=O)(=O)[C@@H]2CCCOC2)cn1	ZINC000780616655	581237062	/nfs/dbraw/zinc/23/70/62/581237062.db2.gz	MBEQPPJANXTKNO-LLVKDONJSA-N	-1	0	295.320	0.192	20	30		CCEDRM
CNC(=O)C(C#N)=C([O-])c1cc(C)cc2c[nH]nc21	ZINC000726731175	581248028	/nfs/dbraw/zinc/24/80/28/581248028.db2.gz	GCQKKUXQUKRYDA-JTQLQIEISA-N	-1	0	256.265	0.940	20	30		CCEDRM
O=C([O-])Cn1cc(C=NNc2ccnc(F)c2)nn1	ZINC000781133712	581259670	/nfs/dbraw/zinc/25/96/70/581259670.db2.gz	SHMOUMPGRKGSLU-UHFFFAOYSA-N	-1	0	264.220	0.343	20	30		CCEDRM
Cc1cc([C@H](C#N)C(=O)[C@@H]2C[C@@H]2C(=O)[O-])nc(C)n1	ZINC000738350816	581268117	/nfs/dbraw/zinc/26/81/17/581268117.db2.gz	BWXMDNKYFFJTQM-UTLUCORTSA-N	-1	0	259.265	0.990	20	30		CCEDRM
CC(C)(C#N)CS(=O)(=O)[N-]C(=O)[C@]1(C)CCCOC1	ZINC000781469953	581269345	/nfs/dbraw/zinc/26/93/45/581269345.db2.gz	MTFJIGKXPQMQBH-GFCCVEGCSA-N	-1	0	288.369	0.799	20	30		CCEDRM
CCn1cc(CC(=O)C(C#N)=C([O-])c2nccn2C)cn1	ZINC000781515469	581271174	/nfs/dbraw/zinc/27/11/74/581271174.db2.gz	BMIDUBWRDBKZDF-LLVKDONJSA-N	-1	0	285.307	0.771	20	30		CCEDRM
Nc1ncc(C=[NH+][N-]c2ccc(C(=O)[O-])cn2)cn1	ZINC000781596978	581272757	/nfs/dbraw/zinc/27/27/57/581272757.db2.gz	PAEDMSREKLSVIH-UHFFFAOYSA-N	-1	0	258.241	0.598	20	30		CCEDRM
CC[C@@H](NN=Cc1cnc([C@@H](C)O)s1)C(=O)[O-]	ZINC000793079794	581283671	/nfs/dbraw/zinc/28/36/71/581283671.db2.gz	UBHFOKCLOZPLBG-HTRCEHHLSA-N	-1	0	257.315	0.983	20	30		CCEDRM
CNC(=O)C(C#N)=C([O-])c1ccc(-c2nc[nH]n2)cc1	ZINC000793127616	581285087	/nfs/dbraw/zinc/28/50/87/581285087.db2.gz	WSZMHOJRNCGQST-SNVBAGLBSA-N	-1	0	269.264	0.540	20	30		CCEDRM
Cc1cc(N=C([O-])[C@H]2COCCN2C)cn(C)c1=O	ZINC000328961639	581285568	/nfs/dbraw/zinc/28/55/68/581285568.db2.gz	KTPLJKXJBIAXEJ-LLVKDONJSA-N	-1	0	265.313	0.612	20	30		CCEDRM
N#CCN1CCC(NC(=O)[C@@H]2CCC[C@H]2NC(=O)[O-])CC1	ZINC000740305532	581322655	/nfs/dbraw/zinc/32/26/55/581322655.db2.gz	NMRMFFNCORSQBA-VXGBXAGGSA-N	-1	0	294.355	0.527	20	30		CCEDRM
N#CCCNC(=O)COC(=O)[C@H]1CCCCN1C(=O)[O-]	ZINC000740308739	581323110	/nfs/dbraw/zinc/32/31/10/581323110.db2.gz	NMXVYVOOOBTYSD-SECBINFHSA-N	-1	0	283.284	0.092	20	30		CCEDRM
C#CCN(CC)C(=O)C(=O)Nc1ccc(NC(=O)[O-])nc1	ZINC000738456694	581331109	/nfs/dbraw/zinc/33/11/09/581331109.db2.gz	AEAUMXXBEAXFDX-UHFFFAOYSA-N	-1	0	290.279	0.592	20	30		CCEDRM
C#CCNC(=O)[C@H](C)N1C[C@H](C)N(C(=O)[O-])[C@@H](C)C1	ZINC000738462265	581334648	/nfs/dbraw/zinc/33/46/48/581334648.db2.gz	XWNBKPHWVWFZLL-DCAQKATOSA-N	-1	0	267.329	0.197	20	30		CCEDRM
C=CC1CCN(C(=O)[C@H]2COCCN2C(=O)[O-])CC1	ZINC000738488754	581358592	/nfs/dbraw/zinc/35/85/92/581358592.db2.gz	MDEYUMYKJWPBDT-LLVKDONJSA-N	-1	0	268.313	0.790	20	30		CCEDRM
C=CCOCC(=O)N1C[C@@H](C)N(C(=O)[O-])[C@H](C)C1	ZINC000738491880	581360979	/nfs/dbraw/zinc/36/09/79/581360979.db2.gz	PGPYDHURWUMACB-NXEZZACHSA-N	-1	0	256.302	0.788	20	30		CCEDRM
C[C@H]1C[C@H](C(=O)[N-]S(=O)(=O)CC2(C#N)CCC2)CO1	ZINC000784551878	581388591	/nfs/dbraw/zinc/38/85/91/581388591.db2.gz	YMZZLAPOHMOQMZ-UWVGGRQHSA-N	-1	0	286.353	0.551	20	30		CCEDRM
C=CCOCC(=O)[N-]S(=O)(=O)Cc1cccc(F)c1	ZINC000785235487	581403581	/nfs/dbraw/zinc/40/35/81/581403581.db2.gz	KRFGNOJPKSWZKI-UHFFFAOYSA-N	-1	0	287.312	0.974	20	30		CCEDRM
CCO[N-]C(=O)C(=O)Nc1cccc(OCC#N)c1	ZINC000785359190	581406630	/nfs/dbraw/zinc/40/66/30/581406630.db2.gz	WTIUWUKBCVTMNV-UHFFFAOYSA-N	-1	0	263.253	0.595	20	30		CCEDRM
C=CCS(=O)(=O)[N-]C(=O)c1cn2ccnc2s1	ZINC000785891006	581424392	/nfs/dbraw/zinc/42/43/92/581424392.db2.gz	BKYOUVKDYXJYKR-UHFFFAOYSA-N	-1	0	271.323	0.641	20	30		CCEDRM
CC(C)NC(=O)C(C#N)=C([O-])c1cnn2c1OCCC2	ZINC000796744419	581449544	/nfs/dbraw/zinc/44/95/44/581449544.db2.gz	ISHUTPIHORPYRY-VIFPVBQESA-N	-1	0	276.296	0.513	20	30		CCEDRM
C=CCNC(=O)C(C#N)=C([O-])c1occ2c1CCOC2	ZINC000796798388	581450937	/nfs/dbraw/zinc/45/09/37/581450937.db2.gz	LHWFEPYHKCFIRB-NSHDSACASA-N	-1	0	274.276	0.977	20	30		CCEDRM
CC[C@@H](C)[C@@H](OC)C(=O)[N-]S(=O)(=O)CCCC#N	ZINC000796813108	581451265	/nfs/dbraw/zinc/45/12/65/581451265.db2.gz	UFSSFZDVGOXRRO-NXEZZACHSA-N	-1	0	276.358	0.797	20	30		CCEDRM
C=CCC(C)(C)C(=O)[N-]S(=O)(=O)[C@@H]1CCOC1	ZINC000796881272	581453493	/nfs/dbraw/zinc/45/34/93/581453493.db2.gz	DBQNKDASYOHHNF-SECBINFHSA-N	-1	0	261.343	0.824	20	30		CCEDRM
Cn1ccc(CCC(=O)[N-]S(=O)(=O)CC(C)(C)C#N)n1	ZINC000797032273	581458216	/nfs/dbraw/zinc/45/82/16/581458216.db2.gz	PVUWUTYKGJAVSP-UHFFFAOYSA-N	-1	0	298.368	0.348	20	30		CCEDRM
Cc1c(CC(=O)[N-]S(=O)(=O)CCCC#N)cnn1C	ZINC000797030170	581458220	/nfs/dbraw/zinc/45/82/20/581458220.db2.gz	DGSWLAQUZJTYGH-UHFFFAOYSA-N	-1	0	284.341	0.021	20	30		CCEDRM
N#CCCCS(=O)(=O)[N-]C(=O)c1ccc(C#N)o1	ZINC000797033027	581458225	/nfs/dbraw/zinc/45/82/25/581458225.db2.gz	YJWBMGHZLVDLKQ-UHFFFAOYSA-N	-1	0	267.266	0.515	20	30		CCEDRM
Cn1cc(C[C@@H](O)C(=O)Nc2cc(C#N)ccc2[O-])cn1	ZINC000787156130	581458731	/nfs/dbraw/zinc/45/87/31/581458731.db2.gz	WJUJXXCTCHMDRC-CYBMUJFWSA-N	-1	0	286.291	0.539	20	30		CCEDRM
CC#CCS(=O)(=O)[N-]C(=O)Cc1c(C)nn(CC)c1C	ZINC000797186687	581461315	/nfs/dbraw/zinc/46/13/15/581461315.db2.gz	ONVSFZYRBZUXIM-UHFFFAOYSA-N	-1	0	297.380	0.532	20	30		CCEDRM
N#Cc1cccc(NC(=O)COC(=O)[C@@H]2C[C@@H]2C(=O)[O-])c1	ZINC000739133605	581509906	/nfs/dbraw/zinc/50/99/06/581509906.db2.gz	KOKOJGANVAZQAM-WDEREUQCSA-N	-1	0	288.259	0.761	20	30		CCEDRM
CC(C)[C@@](C)(C#N)NC(=O)CN1CCN(C(=O)[O-])[C@@H](C)C1	ZINC000739177959	581517711	/nfs/dbraw/zinc/51/77/11/581517711.db2.gz	YEGXNMHSDLXOBL-SMDDNHRTSA-N	-1	0	296.371	0.725	20	30		CCEDRM
C=CCCO[C@@H](C)C(=O)[N-]S(=O)(=O)[C@@H]1CCOC1	ZINC000733724659	581522142	/nfs/dbraw/zinc/52/21/42/581522142.db2.gz	WKVWLTPHFORQLW-VHSXEESVSA-N	-1	0	277.342	0.203	20	30		CCEDRM
N#CCc1cccc(C(=O)[N-]S(=O)(=O)[C@H]2CCOC2)c1	ZINC000733724146	581522159	/nfs/dbraw/zinc/52/21/59/581522159.db2.gz	PWFQQOZZGUQONY-LBPRGKRZSA-N	-1	0	294.332	0.601	20	30		CCEDRM
C=CCNC(=O)C(C#N)=C([O-])c1ccc2c(c1)nnn2C	ZINC000729189124	581557783	/nfs/dbraw/zinc/55/77/83/581557783.db2.gz	WPOAAQUVBDYICZ-JTQLQIEISA-N	-1	0	283.291	0.593	20	30		CCEDRM
CN(CC(=O)NCCNc1ncccc1C#N)C(=O)[O-]	ZINC000739623861	581582803	/nfs/dbraw/zinc/58/28/03/581582803.db2.gz	QVOOJGNPDFNNSQ-UHFFFAOYSA-N	-1	0	277.284	0.091	20	30		CCEDRM
COc1cc(C#N)ccc1S(=O)(=O)[N-]C(=O)C1CC1	ZINC000766977076	581591064	/nfs/dbraw/zinc/59/10/64/581591064.db2.gz	HPQJPMKTWPXSHX-UHFFFAOYSA-N	-1	0	280.305	0.782	20	30		CCEDRM
CN(CCCNC(=O)[O-])[C@@H](C(N)=O)c1ccc(C#N)cc1	ZINC000739677280	581591174	/nfs/dbraw/zinc/59/11/74/581591174.db2.gz	USANHLIHKCJMFL-GFCCVEGCSA-N	-1	0	290.323	0.674	20	30		CCEDRM
C#CCCS(=O)(=O)[N-]C(=O)c1scnc1CC	ZINC000788067507	581610485	/nfs/dbraw/zinc/61/04/85/581610485.db2.gz	FKWUKILHVKGXQJ-UHFFFAOYSA-N	-1	0	272.351	0.788	20	30		CCEDRM
C=CCOCC(=O)[N-]S(=O)(=O)c1cccnc1	ZINC000729885554	581618640	/nfs/dbraw/zinc/61/86/40/581618640.db2.gz	AKQXJWHNXZAISG-UHFFFAOYSA-N	-1	0	256.283	0.089	20	30		CCEDRM
COCCNC(=O)C(C#N)=C([O-])c1ncoc1C	ZINC000729889991	581618983	/nfs/dbraw/zinc/61/89/83/581618983.db2.gz	VRFUGEWLEUGEQA-MRVPVSSYSA-N	-1	0	251.242	0.068	20	30		CCEDRM
C=C(C)C[C@@H](C)C(=O)[N-]S(=O)(=O)N(C)CCOC	ZINC000767993905	581640025	/nfs/dbraw/zinc/64/00/25/581640025.db2.gz	NYTOWTWEYFSVIR-SNVBAGLBSA-N	-1	0	278.374	0.528	20	30		CCEDRM
C#Cc1ccc(C(=O)N[C@H](CCC)c2nnn[n-]2)cn1	ZINC000735389358	581642805	/nfs/dbraw/zinc/64/28/05/581642805.db2.gz	ARPWKEQGVKMGIA-LLVKDONJSA-N	-1	0	270.296	0.847	20	30		CCEDRM
C[C@]1(C(=O)[N-]S(=O)(=O)c2ccc(C#N)cc2)CCOC1	ZINC000755583597	581646678	/nfs/dbraw/zinc/64/66/78/581646678.db2.gz	UYMDENIGYWJQJM-ZDUSSCGKSA-N	-1	0	294.332	0.790	20	30		CCEDRM
N#CCNC(=O)COC(=O)C1(NC(=O)[O-])CCCCC1	ZINC000740304786	581662239	/nfs/dbraw/zinc/66/22/39/581662239.db2.gz	AJJMBGQRFHVJQV-UHFFFAOYSA-N	-1	0	283.284	0.140	20	30		CCEDRM
N#CCN1CCN(C(=O)[C@H]2CCCCN2C(=O)[O-])CC1	ZINC000740305380	581662459	/nfs/dbraw/zinc/66/24/59/581662459.db2.gz	NANVUVGNMJAQPV-LLVKDONJSA-N	-1	0	280.328	0.187	20	30		CCEDRM
N#CC1(NC(=O)[C@H]2CCN(C(=O)[O-])C2)CCCC1	ZINC000740310469	581663845	/nfs/dbraw/zinc/66/38/45/581663845.db2.gz	TZWNKAQAJAJWDL-VIFPVBQESA-N	-1	0	251.286	0.939	20	30		CCEDRM
N#CC1CCN(C(=O)CN(C[C@H]2CCCO2)C(=O)[O-])CC1	ZINC000740309665	581663874	/nfs/dbraw/zinc/66/38/74/581663874.db2.gz	LGWYJVMTAWRMRM-GFCCVEGCSA-N	-1	0	295.339	0.908	20	30		CCEDRM
N#CCn1cc(NC(=O)C2(NC(=O)[O-])CCCC2)cn1	ZINC000740310961	581664044	/nfs/dbraw/zinc/66/40/44/581664044.db2.gz	LPRIGTMJJHVNBY-UHFFFAOYSA-N	-1	0	277.284	0.926	20	30		CCEDRM
N#Cc1ccc(C(=O)N[C@@H]2CCCN(C(=O)[O-])C2)cn1	ZINC000740312923	581664440	/nfs/dbraw/zinc/66/44/40/581664440.db2.gz	GIZISEFFQNFENO-LLVKDONJSA-N	-1	0	274.280	0.825	20	30		CCEDRM
N#Cc1ccc(C(=O)NC[C@@H]2CCCN2C(=O)[O-])nc1	ZINC000740314319	581664660	/nfs/dbraw/zinc/66/46/60/581664660.db2.gz	UUKZZYWIWVBDDP-JTQLQIEISA-N	-1	0	274.280	0.825	20	30		CCEDRM
C#CCNC(=O)NCc1cccc(OCC(=O)[O-])c1	ZINC000736076738	581694562	/nfs/dbraw/zinc/69/45/62/581694562.db2.gz	UEZDZLIRNWVPBU-UHFFFAOYSA-N	-1	0	262.265	0.582	20	30		CCEDRM
C#CCCNC(=O)NCc1cccc(OCC(=O)[O-])c1	ZINC000736077820	581695459	/nfs/dbraw/zinc/69/54/59/581695459.db2.gz	XWQPAWSCJSVKLO-UHFFFAOYSA-N	-1	0	276.292	0.973	20	30		CCEDRM
C#Cc1ccc(C(=O)N2CCC[C@@H](C(=O)[O-])C2)cn1	ZINC000736092359	581700990	/nfs/dbraw/zinc/70/09/90/581700990.db2.gz	FSYYCCFHVJTPTB-LLVKDONJSA-N	-1	0	258.277	1.000	20	30		CCEDRM
C#Cc1ccc(C(=O)N2CCC[C@H](C(=O)[O-])C2)nc1	ZINC000736093284	581701499	/nfs/dbraw/zinc/70/14/99/581701499.db2.gz	QZZMPGXQPHXGRZ-NSHDSACASA-N	-1	0	258.277	1.000	20	30		CCEDRM
COC(=O)c1coc(C=Nn2c(=O)c(C)n[n-]c2=S)c1	ZINC000758079873	581720816	/nfs/dbraw/zinc/72/08/16/581720816.db2.gz	LUTWMYNCSOHCQC-UHFFFAOYSA-N	-1	0	294.292	0.497	20	30		CCEDRM
C#CCCCOC(=O)Cn1[n-]cc2c(=O)ncnc1-2	ZINC000730691529	581726651	/nfs/dbraw/zinc/72/66/51/581726651.db2.gz	YBRKXKBGFBXSTM-UHFFFAOYSA-N	-1	0	260.253	0.028	20	30		CCEDRM
CC(C)(C)c1cc(C(=O)N(CC#N)CC(=O)[O-])[nH]n1	ZINC000736293209	581733116	/nfs/dbraw/zinc/73/31/16/581733116.db2.gz	FVEFMIYJTOUAPF-UHFFFAOYSA-N	-1	0	264.285	0.758	20	30		CCEDRM
Cn1cc(CCC(=O)C(C#N)=C([O-])c2nccn2C)cn1	ZINC000770729778	581765023	/nfs/dbraw/zinc/76/50/23/581765023.db2.gz	FUZKCFFXZJHSCD-LLVKDONJSA-N	-1	0	285.307	0.678	20	30		CCEDRM
CCCOCC(=O)[N-]S(=O)(=O)CC1(C#N)CCC1	ZINC000771074093	581789732	/nfs/dbraw/zinc/78/97/32/581789732.db2.gz	OXCWITSFLNHVBH-UHFFFAOYSA-N	-1	0	274.342	0.553	20	30		CCEDRM
CCO[C@H]1C[C@@H]1C(=O)[N-]S(=O)(=O)CC1(C#N)CCC1	ZINC000771074942	581789826	/nfs/dbraw/zinc/78/98/26/581789826.db2.gz	WJGVSRJVQMXXGO-UWVGGRQHSA-N	-1	0	286.353	0.551	20	30		CCEDRM
CN(CC(=O)C(C#N)=C([O-])c1nccn1C)C(=O)C1CC1	ZINC000759460331	581799958	/nfs/dbraw/zinc/79/99/58/581799958.db2.gz	ZBKASSURJRHLJJ-JTQLQIEISA-N	-1	0	288.307	0.180	20	30		CCEDRM
C#CCCCC(=O)[N-]S(=O)(=O)CC(F)(F)F	ZINC000759540479	581805099	/nfs/dbraw/zinc/80/50/99/581805099.db2.gz	OCJTVGZZFOTGDM-UHFFFAOYSA-N	-1	0	257.233	0.798	20	30		CCEDRM
N#Cc1ccccc1C=CC(=O)NCc1nnn[n-]1	ZINC000732157620	581806531	/nfs/dbraw/zinc/80/65/31/581806531.db2.gz	BPGQWKVZRLBBTF-WAYWQWQTSA-N	-1	0	254.253	0.401	20	30		CCEDRM
C[C@@](NS(=O)(=O)CCCC#N)(C(=O)[O-])C1CC1	ZINC000736663898	581810949	/nfs/dbraw/zinc/81/09/49/581810949.db2.gz	HHOUNGYZOVHGFH-JTQLQIEISA-N	-1	0	260.315	0.463	20	30		CCEDRM
C=CCNC(=O)C(C#N)=C([O-])c1cccc(C(=O)NC)c1	ZINC000744031160	581830376	/nfs/dbraw/zinc/83/03/76/581830376.db2.gz	RRGJNNDMRXYOKH-LBPRGKRZSA-N	-1	0	285.303	0.671	20	30		CCEDRM
CCS(=O)(=O)[N-]C(=O)[C@H](C)Oc1ccc(C#N)cc1	ZINC000732606974	581837139	/nfs/dbraw/zinc/83/71/39/581837139.db2.gz	GHLAGUOKWUNXGB-VIFPVBQESA-N	-1	0	282.321	0.791	20	30		CCEDRM
C=CCS(=O)(=O)[N-]C(=O)C[C@H]1C(=O)Nc2ccccc21	ZINC000772718540	581886238	/nfs/dbraw/zinc/88/62/38/581886238.db2.gz	PPWAXISKKYSMBB-SNVBAGLBSA-N	-1	0	294.332	0.744	20	30		CCEDRM
C=CCS(=O)(=O)[N-]C(=O)c1ccc2c(c1)OCC(=O)N2	ZINC000772720817	581886757	/nfs/dbraw/zinc/88/67/57/581886757.db2.gz	WAUBXZRGJNBQSN-UHFFFAOYSA-N	-1	0	296.304	0.263	20	30		CCEDRM
C#CCNC(=O)COC(=O)c1c(F)cc([O-])cc1F	ZINC000746987170	581929975	/nfs/dbraw/zinc/92/99/75/581929975.db2.gz	OEKCFVXQJLGHOW-UHFFFAOYSA-N	-1	0	269.203	0.577	20	30		CCEDRM
CN(CCCC(=O)[C@H](C#N)C(=O)N1CCCC1)C(=O)[O-]	ZINC000737415540	581955818	/nfs/dbraw/zinc/95/58/18/581955818.db2.gz	PZHWKPVOIIOUBV-JTQLQIEISA-N	-1	0	281.312	0.708	20	30		CCEDRM
C#CCN(CC#CC)C(=O)[C@H]1CCCN(C(=O)[O-])C1	ZINC000737493082	581966601	/nfs/dbraw/zinc/96/66/01/581966601.db2.gz	XFNYGYFIEYAGTC-LBPRGKRZSA-N	-1	0	262.309	0.862	20	30		CCEDRM
O=C([O-])c1ccc(C=NNC(=S)NC[C@@H]2CCCO2)[nH]1	ZINC000749812410	582023306	/nfs/dbraw/zinc/02/33/06/582023306.db2.gz	NSDLSZNSJYVPBV-VIFPVBQESA-N	-1	0	296.352	0.690	20	30		CCEDRM
Cc1noc2nc(C)cc(C(=O)N(CC#N)CC(=O)[O-])c12	ZINC000738319236	582034301	/nfs/dbraw/zinc/03/43/01/582034301.db2.gz	HEICLAVTFKWXIK-UHFFFAOYSA-N	-1	0	288.263	0.890	20	30		CCEDRM
C#C[C@H](NCc1cc(=O)n2[n-]ccc2n1)[C@H]1CCCO1	ZINC000775790239	582038026	/nfs/dbraw/zinc/03/80/26/582038026.db2.gz	HILAGYDGWHYLBR-NWDGAFQWSA-N	-1	0	272.308	0.293	20	30		CCEDRM
N#CC1(C(=O)N2CCO[C@H](C(=O)[O-])C2)CCCCC1	ZINC000738423002	582047668	/nfs/dbraw/zinc/04/76/68/582047668.db2.gz	OSGMOPKDDBNECD-JTQLQIEISA-N	-1	0	266.297	0.772	20	30		CCEDRM
N#CCCCS(=O)(=O)N1CCC[C@@H](NC(=O)[O-])C1	ZINC000738427673	582048476	/nfs/dbraw/zinc/04/84/76/582048476.db2.gz	FNUQHPVMNGCKIE-SECBINFHSA-N	-1	0	275.330	0.352	20	30		CCEDRM
CC1(C(=O)[N-]S(=O)(=O)CCCC#N)CCOCC1	ZINC000776119075	582052277	/nfs/dbraw/zinc/05/22/77/582052277.db2.gz	BJCJYTRKRXORBJ-UHFFFAOYSA-N	-1	0	274.342	0.553	20	30		CCEDRM
C#CCCNC(=O)NC[C@H]1CCCN(C(=O)[O-])C1	ZINC000738457034	582052575	/nfs/dbraw/zinc/05/25/75/582052575.db2.gz	JBRVESISPVKHIW-SNVBAGLBSA-N	-1	0	253.302	0.699	20	30		CCEDRM
C#CCNC(=O)CN1CCN(C(=O)[O-])Cc2ccccc21	ZINC000738463361	582053965	/nfs/dbraw/zinc/05/39/65/582053965.db2.gz	REXVFAADHOFZKE-UHFFFAOYSA-N	-1	0	287.319	0.736	20	30		CCEDRM
C#Cc1ccc(C(=O)N[C@@H](CNC(=O)[O-])C2CC2)cn1	ZINC000738467174	582054417	/nfs/dbraw/zinc/05/44/17/582054417.db2.gz	JYHUILCKMLALDD-LBPRGKRZSA-N	-1	0	273.292	0.839	20	30		CCEDRM
C#Cc1ccc(C(=O)N[C@H]2CCN(C(=O)[O-])C2)nc1	ZINC000738467537	582054462	/nfs/dbraw/zinc/05/44/62/582054462.db2.gz	MWGJKGQZQHSUJK-JTQLQIEISA-N	-1	0	259.265	0.545	20	30		CCEDRM
Cc1ccc(C(=O)[N-]S(=O)(=O)CC(C)(C)C#N)c(=O)[nH]1	ZINC000776144299	582054490	/nfs/dbraw/zinc/05/44/90/582054490.db2.gz	ZGFCDRIGSOKWOQ-UHFFFAOYSA-N	-1	0	297.336	0.705	20	30		CCEDRM
C=CCNC(=O)[C@H](C)OC(=O)[C@@H]1CCN(C(=O)[O-])C1	ZINC000738495194	582056008	/nfs/dbraw/zinc/05/60/08/582056008.db2.gz	JPBJDCOOKDPSLX-DTWKUNHWSA-N	-1	0	270.285	0.220	20	30		CCEDRM
C=CCOC(=O)c1cn(C2CCN(C(=O)[O-])CC2)nn1	ZINC000738492005	582056124	/nfs/dbraw/zinc/05/61/24/582056124.db2.gz	RDKCVYKHMGRYJT-UHFFFAOYSA-N	-1	0	280.284	0.936	20	30		CCEDRM
C[C@H](C#N)OC(=O)C(C)(C)N1CCN(C(=O)[O-])CC1	ZINC000738602531	582064921	/nfs/dbraw/zinc/06/49/21/582064921.db2.gz	MVIULZNBUUOUAP-SECBINFHSA-N	-1	0	269.301	0.516	20	30		CCEDRM
Cn1nc(C(C)(C)C)cc1C(=O)N(CC#N)CC(=O)[O-]	ZINC000739049718	582099603	/nfs/dbraw/zinc/09/96/03/582099603.db2.gz	GUPDSSKASZNETD-UHFFFAOYSA-N	-1	0	278.312	0.768	20	30		CCEDRM
N#CCN(CC(=O)[O-])C(=O)[C@@H]1Cc2ccccc2O1	ZINC000739076583	582101499	/nfs/dbraw/zinc/10/14/99/582101499.db2.gz	ANMKYWWKJKISBL-NSHDSACASA-N	-1	0	260.249	0.427	20	30		CCEDRM
N#CCN(Cc1noc(CCCC(=O)[O-])n1)C1CC1	ZINC000739086060	582101784	/nfs/dbraw/zinc/10/17/84/582101784.db2.gz	NZQKLYGOJXYKTO-UHFFFAOYSA-N	-1	0	264.285	0.965	20	30		CCEDRM
COc1cccc(C([O-])=C(C#N)C(=O)NC(C)C)n1	ZINC000752161851	582101971	/nfs/dbraw/zinc/10/19/71/582101971.db2.gz	WQYXBYCPYUXVIG-VIFPVBQESA-N	-1	0	261.281	0.937	20	30		CCEDRM
O=C([O-])Cn1cc(C=NNc2ccccc2F)nn1	ZINC000768484303	582107378	/nfs/dbraw/zinc/10/73/78/582107378.db2.gz	YGQSBHRAEZOKDC-UHFFFAOYSA-N	-1	0	263.232	0.948	20	30		CCEDRM
C[C@H](CC#N)NS(=O)(=O)c1csnc1C(=O)[O-]	ZINC000833515275	605022771	/nfs/dbraw/zinc/02/27/71/605022771.db2.gz	DSBJCBGCXXWEKI-RXMQYKEDSA-N	-1	0	275.311	0.422	20	30		CCEDRM
CC[S@](C)(=O)=NS(=O)(=O)[N-][C@H](C#N)CC(C)C	ZINC000906061057	616022912	/nfs/dbraw/zinc/02/29/12/616022912.db2.gz	NUGGSRWWGTXRIR-FVMDXXJSSA-N	-1	0	281.403	0.877	20	30		CCEDRM
CO[C@@H]1CC[C@@H](C(=O)[N-]S(=O)(=O)CCCC#N)C1	ZINC000850927054	616678800	/nfs/dbraw/zinc/67/88/00/616678800.db2.gz	YEGVZZHFOUQTFW-NXEZZACHSA-N	-1	0	274.342	0.551	20	30		CCEDRM
N#Cc1ccc(Cl)c(NC(=O)C(=O)NCCC(=O)[O-])c1	ZINC000819100676	596970951	/nfs/dbraw/zinc/97/09/51/596970951.db2.gz	ZKTGTMCUPWZLIR-UHFFFAOYSA-N	-1	0	295.682	0.741	20	30		CCEDRM
N#CCN1CCC(OC(=O)CSCC(=O)[O-])CC1	ZINC000819090886	597277688	/nfs/dbraw/zinc/27/76/88/597277688.db2.gz	JWVSBNWDINKTDN-UHFFFAOYSA-N	-1	0	272.326	0.335	20	30		CCEDRM
C#CCCCS(=O)(=O)N[C@@H](C(=O)OC)C1CC1	ZINC000805019763	612984801	/nfs/dbraw/zinc/98/48/01/612984801.db2.gz	KKONSFFQYOWJRQ-SNVBAGLBSA-N	-1	0	259.327	0.271	20	30		CCEDRM
C[C@@](C#N)(CC(=O)[O-])C(=O)N1CCN2C(=O)OCC[C@@H]2C1	ZINC000819822434	597605591	/nfs/dbraw/zinc/60/55/91/597605591.db2.gz	NVDMAVVMYUJRRI-RNCFNFMXSA-N	-1	0	295.295	0.044	20	30		CCEDRM
C[C@@](C#N)(CC(=O)[O-])C(=O)OCc1nnnn1C1CC1	ZINC000819874110	597616682	/nfs/dbraw/zinc/61/66/82/597616682.db2.gz	HNXPDITUBZFDEB-NSHDSACASA-N	-1	0	279.256	0.056	20	30		CCEDRM
C[C@@H](COC(=O)[C@](C)(C#N)CC(=O)[O-])CS(C)(=O)=O	ZINC000820102049	597617253	/nfs/dbraw/zinc/61/72/53/597617253.db2.gz	NZBANXJAQSDORE-KWQFWETISA-N	-1	0	291.325	0.215	20	30		CCEDRM
C[C@](C#N)(CC(=O)[O-])C(=O)OCC(=O)N1CCCCC1	ZINC000819864891	597625624	/nfs/dbraw/zinc/62/56/24/597625624.db2.gz	FQBPHYWYWNPLJG-CYBMUJFWSA-N	-1	0	282.296	0.547	20	30		CCEDRM
C[C@H](OC(=O)[C@](C)(C#N)CC(=O)[O-])C(=O)N(C)CCC#N	ZINC000820160728	597626338	/nfs/dbraw/zinc/62/63/38/597626338.db2.gz	HMUNUCJSGHJONN-ZANVPECISA-N	-1	0	295.295	0.295	20	30		CCEDRM
C[C@H](CNC(=O)[C@@](C)(C#N)CC(=O)[O-])Cn1cccn1	ZINC000820095913	597634912	/nfs/dbraw/zinc/63/49/12/597634912.db2.gz	WKMBFAPWZNKYHD-ZWNOBZJWSA-N	-1	0	278.312	0.640	20	30		CCEDRM
Cn1cc(CNC(=O)[C@](C)(C#N)CC(=O)[O-])cn1	ZINC000821287260	597638851	/nfs/dbraw/zinc/63/88/51/597638851.db2.gz	GOMJYZVQZXBYSV-NSHDSACASA-N	-1	0	250.258	0.041	20	30		CCEDRM
C[C@@](C#N)(CC(=O)[O-])C(=O)N1CCC(C2OCCO2)CC1	ZINC000819811859	597641158	/nfs/dbraw/zinc/64/11/58/597641158.db2.gz	WAEZGRRTIGZTHL-AWEZNQCLSA-N	-1	0	296.323	0.602	20	30		CCEDRM
C[C@@](C#N)(CC(=O)[O-])C(=O)NCCOC[C@@H]1CCOC1	ZINC000819843142	597645776	/nfs/dbraw/zinc/64/57/76/597645776.db2.gz	YLSJPRXDTWDELC-MFKMUULPSA-N	-1	0	284.312	0.160	20	30		CCEDRM
C[C@H](O)[C@@H]1CCN(C(=O)[C@](C)(C#N)CC(=O)[O-])C1	ZINC000820154104	597664275	/nfs/dbraw/zinc/66/42/75/597664275.db2.gz	GCEGAZDQMHNIBB-SBMIAAHKSA-N	-1	0	254.286	0.220	20	30		CCEDRM
Cn1c(CNC(=O)[C@](C)(C#N)CC(=O)[O-])nnc1C1CC1	ZINC000821269294	597671545	/nfs/dbraw/zinc/67/15/45/597671545.db2.gz	SOMNDPQMMOCMNY-ZDUSSCGKSA-N	-1	0	291.311	0.313	20	30		CCEDRM
Cc1ccc(F)c2c1NC(=O)C2=NNCCC(=O)[O-]	ZINC000821083800	597742759	/nfs/dbraw/zinc/74/27/59/597742759.db2.gz	VPKDGKXUWPFKKP-UHFFFAOYSA-N	-1	0	265.244	0.855	20	30		CCEDRM
N#CCc1ccccc1C(=O)OCC(=O)NCC(=O)[O-]	ZINC000821324786	597831142	/nfs/dbraw/zinc/83/11/42/597831142.db2.gz	NOCUWVCEJAJCHV-UHFFFAOYSA-N	-1	0	276.248	0.110	20	30		CCEDRM
C[C@@H](NC(=O)c1ncc(C#N)cc1Cl)C(=O)[O-]	ZINC000820136155	598052707	/nfs/dbraw/zinc/05/27/07/598052707.db2.gz	IDQXNPKDBLFMRK-RXMQYKEDSA-N	-1	0	253.645	0.810	20	30		CCEDRM
Cc1cc(NC(=O)CSCC(=O)[O-])nn1CCC#N	ZINC000821013573	598092562	/nfs/dbraw/zinc/09/25/62/598092562.db2.gz	DIVXOZRNETTWCP-UHFFFAOYSA-N	-1	0	282.325	0.862	20	30		CCEDRM
N#Cc1cnn(C(=O)c2ccc(C(=O)[O-])cc2)c1N	ZINC000821340585	598160738	/nfs/dbraw/zinc/16/07/38/598160738.db2.gz	OUCJGVHLNUMKDP-UHFFFAOYSA-N	-1	0	256.221	0.724	20	30		CCEDRM
Cn1cc(C#N)c(NC(=O)N2CCC[C@H]2C(=O)[O-])n1	ZINC000821277540	598207276	/nfs/dbraw/zinc/20/72/76/598207276.db2.gz	KNZQCHSMLUIWGL-QMMMGPOBSA-N	-1	0	263.257	0.373	20	30		CCEDRM
C[C@](C#N)(CC(=O)[O-])C(=O)NCC(=O)NC1CCCCC1	ZINC000819832173	598225492	/nfs/dbraw/zinc/22/54/92/598225492.db2.gz	ABPDQFNKCIUPQZ-CQSZACIVSA-N	-1	0	295.339	0.556	20	30		CCEDRM
C[C@](C#N)(CC(=O)[O-])C(=O)NC[C@]1(C)CCOC1	ZINC000820214963	598227483	/nfs/dbraw/zinc/22/74/83/598227483.db2.gz	MUNBZZUDIMIXST-NWDGAFQWSA-N	-1	0	254.286	0.534	20	30		CCEDRM
C#CCONC(=O)c1ccc(-c2nc(=O)o[n-]2)cc1	ZINC000812782480	612993136	/nfs/dbraw/zinc/99/31/36/612993136.db2.gz	UYBAMSGJISJNAU-UHFFFAOYSA-N	-1	0	259.221	0.325	20	30		CCEDRM
C#CCO[N-]C(=O)c1cnc2c(C)cccn2c1=O	ZINC000812787021	612993805	/nfs/dbraw/zinc/99/38/05/612993805.db2.gz	ZDFHLYILPLEJPI-UHFFFAOYSA-N	-1	0	257.249	0.298	20	30		CCEDRM
C#CCO[C@@H](C)C(=O)[N-]S(=O)(=O)c1cnc(C)s1	ZINC000835349216	612996968	/nfs/dbraw/zinc/99/69/68/612996968.db2.gz	FMDPXRWPBJBVPQ-ZETCQYMHSA-N	-1	0	288.350	0.295	20	30		CCEDRM
C#CCO[C@@H](C)C(=O)[N-]S(=O)(=O)c1sccc1C	ZINC000835409639	612997005	/nfs/dbraw/zinc/99/70/05/612997005.db2.gz	XOKMWQANRNBDRD-VIFPVBQESA-N	-1	0	287.362	0.900	20	30		CCEDRM
C#CCO[C@H](C)C(=O)[N-]S(=O)(=O)c1ccc(C)cc1	ZINC000835026958	613002250	/nfs/dbraw/zinc/00/22/50/613002250.db2.gz	AFEBZUFKFSGCRS-LLVKDONJSA-N	-1	0	281.333	0.838	20	30		CCEDRM
CC(C)N(CC(=O)[O-])S(=O)(=O)c1ccc(C#N)nc1	ZINC000159685044	599726100	/nfs/dbraw/zinc/72/61/00/599726100.db2.gz	NPWODOGZCIUUOC-UHFFFAOYSA-N	-1	0	283.309	0.437	20	30		CCEDRM
C#CCNC(=O)N(C)CC[C@@H](NC(=O)[O-])C(C)C	ZINC000823456101	612946218	/nfs/dbraw/zinc/94/62/18/612946218.db2.gz	JYDVRZTYDWBNMT-SNVBAGLBSA-N	-1	0	255.318	0.943	20	30		CCEDRM
N#Cc1cc(F)ccc1CN1CCNC(=O)[C@H]1CC(=O)[O-]	ZINC000071246348	599962098	/nfs/dbraw/zinc/96/20/98/599962098.db2.gz	OCSIXXNKIRCYRK-GFCCVEGCSA-N	-1	0	291.282	0.472	20	30		CCEDRM
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C#CCNC(=O)[C@@H](C)N1Cc2ccc(C(=O)[O-])cc2C1	ZINC000156918770	600084081	/nfs/dbraw/zinc/08/40/81/600084081.db2.gz	JJHXWCBIEBYIDR-SNVBAGLBSA-N	-1	0	272.304	0.838	20	30		CCEDRM
N#CCN(CC(=O)[O-])C(=O)COc1cccc(C=O)c1	ZINC000739079588	600408199	/nfs/dbraw/zinc/40/81/99/600408199.db2.gz	ZPFAKNJMQQVYTD-UHFFFAOYSA-N	-1	0	276.248	0.315	20	30		CCEDRM
C[C@](NC(=O)c1ccc(C#N)cn1)(C(=O)[O-])C1CC1	ZINC000104205392	600616574	/nfs/dbraw/zinc/61/65/74/600616574.db2.gz	TYIKGCOKMCRITC-CYBMUJFWSA-N	-1	0	259.265	0.936	20	30		CCEDRM
C[C@@H](OC(=O)C(C)(C)NC(=O)[O-])C(=O)N(C)CCC#N	ZINC000827802061	600661014	/nfs/dbraw/zinc/66/10/14/600661014.db2.gz	BPQBBFWCERGKKE-MRVPVSSYSA-N	-1	0	285.300	0.336	20	30		CCEDRM
C#CCCNS(=O)(=O)c1csc(C(=O)[O-])c1	ZINC000069768963	600747613	/nfs/dbraw/zinc/74/76/13/600747613.db2.gz	XDGUTUBPDSOFAW-UHFFFAOYSA-N	-1	0	259.308	0.748	20	30		CCEDRM
C#CCN(CC#CC)CC(=O)N[C@H](C(=O)[O-])[C@@H](C)CC	ZINC000825608510	600836781	/nfs/dbraw/zinc/83/67/81/600836781.db2.gz	AZUZBHKQRRMUOF-JSGCOSHPSA-N	-1	0	278.352	0.560	20	30		CCEDRM
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N#CCN(CC(=O)[O-])Cc1cc(=O)n2ccccc2n1	ZINC000833066600	601004965	/nfs/dbraw/zinc/00/49/65/601004965.db2.gz	DWKDYKHKRJDYCU-UHFFFAOYSA-N	-1	0	272.264	0.105	20	30		CCEDRM
C#CCN(CC#CC)CC(=O)NC1(C(=O)[O-])CCCCC1	ZINC000825614141	601020970	/nfs/dbraw/zinc/02/09/70/601020970.db2.gz	GOPPMJRJCPEIKK-UHFFFAOYSA-N	-1	0	290.363	0.849	20	30		CCEDRM
C#CCSCC(=O)[N-]OCCN1CCCC1=O	ZINC000898939873	613013087	/nfs/dbraw/zinc/01/30/87/613013087.db2.gz	XZDDAELMUFCGFE-UHFFFAOYSA-N	-1	0	256.327	0.023	20	30		CCEDRM
C#CCNC(=O)CNc1ccc(CN(C)C(=O)[O-])cc1	ZINC000825619310	601249846	/nfs/dbraw/zinc/24/98/46/601249846.db2.gz	KFZVQSWUXRAFTP-UHFFFAOYSA-N	-1	0	275.308	0.958	20	30		CCEDRM
Cn1cc(C#N)cc1C(=O)N(CC(=O)[O-])C1CCOCC1	ZINC000833041106	601269464	/nfs/dbraw/zinc/26/94/64/601269464.db2.gz	XURYUDLTWLZKBC-UHFFFAOYSA-N	-1	0	291.307	0.603	20	30		CCEDRM
N#CCN1CCC(NC(=O)c2ccnc(C(=O)[O-])c2)CC1	ZINC000833066735	601285595	/nfs/dbraw/zinc/28/55/95/601285595.db2.gz	GRFRMBVGYFAGFT-UHFFFAOYSA-N	-1	0	288.307	0.498	20	30		CCEDRM
N#Cc1ccc([C@@H](C(=O)[O-])N2CCO[C@H](CO)C2)cc1	ZINC000833071032	601427167	/nfs/dbraw/zinc/42/71/67/601427167.db2.gz	CPGNJFUMVRBXLZ-STQMWFEESA-N	-1	0	276.292	0.377	20	30		CCEDRM
C#CCNC(=O)[C@@H](C)OC(=O)C1(CNC(=O)[O-])CCCC1	ZINC000823456645	612948375	/nfs/dbraw/zinc/94/83/75/612948375.db2.gz	OAGXIWAESJWJAJ-SNVBAGLBSA-N	-1	0	296.323	0.496	20	30		CCEDRM
N#CCN(CC(=O)[O-])C(=O)Cn1cc2ccccc2n1	ZINC000833066421	601451836	/nfs/dbraw/zinc/45/18/36/601451836.db2.gz	YJTIGWNUVHXAQX-UHFFFAOYSA-N	-1	0	272.264	0.473	20	30		CCEDRM
Cn1cc(S(=O)(=O)N[C@@H]2CCC[C@@H]2C#N)cc1C(=O)[O-]	ZINC000061890066	601477351	/nfs/dbraw/zinc/47/73/51/601477351.db2.gz	RIVUKJHGAQEKFO-PSASIEDQSA-N	-1	0	297.336	0.694	20	30		CCEDRM
C[C@@H]1CN(S(=O)(=O)c2ccc(C#N)nc2)C[C@@H]1C(=O)[O-]	ZINC000228697647	601589124	/nfs/dbraw/zinc/58/91/24/601589124.db2.gz	SRGYGWCEDOELSI-KCJUWKMLSA-N	-1	0	295.320	0.294	20	30		CCEDRM
C[C@H]1CN(S(=O)(=O)c2ccccc2C#N)C[C@@H]1C(=O)[O-]	ZINC000111252984	601590289	/nfs/dbraw/zinc/59/02/89/601590289.db2.gz	HTRKRIYRSQLYSQ-ONGXEEELSA-N	-1	0	294.332	0.899	20	30		CCEDRM
N#CCOc1ccccc1C(=O)N1CCOC[C@H]1C(=O)[O-]	ZINC000833068375	601606907	/nfs/dbraw/zinc/60/69/07/601606907.db2.gz	XBEQKAKGLNUROH-NSHDSACASA-N	-1	0	290.275	0.515	20	30		CCEDRM
N#CCN(CC(=O)[O-])C(=O)CCc1cccc([N+](=O)[O-])c1	ZINC000833065586	601680208	/nfs/dbraw/zinc/68/02/08/601680208.db2.gz	DQFMRYVHUZMAMX-UHFFFAOYSA-N	-1	0	291.263	0.964	20	30		CCEDRM
N#CCOc1ccccc1C(=O)N[C@]1(C(=O)[O-])CCOC1	ZINC000833068272	601736345	/nfs/dbraw/zinc/73/63/45/601736345.db2.gz	UHQMDJMBQQNSBE-CQSZACIVSA-N	-1	0	290.275	0.562	20	30		CCEDRM
N#Cc1cc(F)c(C(=O)N[C@@]2(C(=O)[O-])CCOC2)c(F)c1	ZINC000833068597	601739050	/nfs/dbraw/zinc/73/90/50/601739050.db2.gz	DAWBHKIIGIRTLD-ZDUSSCGKSA-N	-1	0	296.229	0.810	20	30		CCEDRM
N#CCCCCNC(=O)N1CCO[C@H](CC(=O)[O-])C1	ZINC000833062571	601773093	/nfs/dbraw/zinc/77/30/93/601773093.db2.gz	NIBMGJWYWUTSEH-SNVBAGLBSA-N	-1	0	269.301	0.565	20	30		CCEDRM
C#CCNC(=O)[C@@H](C)OC(=O)c1c(C)[nH]c(C(=O)[O-])c1C	ZINC000825620278	612949101	/nfs/dbraw/zinc/94/91/01/612949101.db2.gz	ZFHZBFFWGOWQPW-SECBINFHSA-N	-1	0	292.291	0.624	20	30		CCEDRM
N#Cc1ccnc(N2CCO[C@@H](C(=O)[O-])C2)c1[N+](=O)[O-]	ZINC000214559005	602129207	/nfs/dbraw/zinc/12/92/07/602129207.db2.gz	HVQBJWKCFDAYIC-MRVPVSSYSA-N	-1	0	278.224	0.151	20	30		CCEDRM
COc1cc(C=NNCCC(=O)[O-])cc(OC)c1O	ZINC000820763847	617179173	/nfs/dbraw/zinc/17/91/73/617179173.db2.gz	HGYVFKKFIPNCSH-UHFFFAOYSA-N	-1	0	268.269	0.808	20	30		CCEDRM
COc1cc(C=NNC[C@@H](C)O)c([N+](=O)[O-])cc1O	ZINC000814959970	617179413	/nfs/dbraw/zinc/17/94/13/617179413.db2.gz	MRGKBLTWKPYQEB-SSDOTTSWSA-N	-1	0	269.257	0.613	20	30		CCEDRM
C#CC1(NC(=O)[C@H](C)O[C@@H](C)C(=O)[O-])CCCC1	ZINC000887316194	612950295	/nfs/dbraw/zinc/95/02/95/612950295.db2.gz	LUOXMZJGMOELCT-UWVGGRQHSA-N	-1	0	253.298	0.927	20	30		CCEDRM
CCC[C@@H](C#N)NC(=O)CN(C[C@@H]1CCCO1)C(=O)[O-]	ZINC000739281649	602875167	/nfs/dbraw/zinc/87/51/67/602875167.db2.gz	AJHZVBNCDNUIHX-QWRGUYRKSA-N	-1	0	283.328	0.954	20	30		CCEDRM
COc1cc(C=Nn2c(=O)[n-][nH]c2=O)ccc1C#N	ZINC000814233452	617179673	/nfs/dbraw/zinc/17/96/73/617179673.db2.gz	QFKBSGNJPUVQBQ-UHFFFAOYSA-N	-1	0	259.225	0.452	20	30		CCEDRM
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Cn1cc(C#N)cc1C(=O)N1CCCN(C(=O)[O-])CC1	ZINC000830984536	603529442	/nfs/dbraw/zinc/52/94/42/603529442.db2.gz	GSGVWVBJJGONIQ-UHFFFAOYSA-N	-1	0	276.296	0.723	20	30		CCEDRM
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Cn1cc(C#N)cc1C(=O)N1CCC[C@@H]1CC(=O)[O-]	ZINC000833040338	605012717	/nfs/dbraw/zinc/01/27/17/605012717.db2.gz	AYTIZZKLKRGXJV-SNVBAGLBSA-N	-1	0	261.281	0.976	20	30		CCEDRM
CC(C)N(CCC#N)CN1C[C@H](C(=O)[O-])CC1=O	ZINC000833496792	605171738	/nfs/dbraw/zinc/17/17/38/605171738.db2.gz	PODKYRWSCGHYKP-SNVBAGLBSA-N	-1	0	253.302	0.501	20	30		CCEDRM
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C[C@@]1(C#N)CCCN(CN2C[C@H](C(=O)[O-])CC2=O)C1	ZINC000833551613	605350335	/nfs/dbraw/zinc/35/03/35/605350335.db2.gz	RBJRZBSPAPFQAH-MFKMUULPSA-N	-1	0	265.313	0.503	20	30		CCEDRM
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C[C@]1(C#N)CCCN(CC(=O)NCCC(=O)[O-])C1	ZINC000833551469	605419152	/nfs/dbraw/zinc/41/91/52/605419152.db2.gz	LMVXDTPJTUNIEG-GFCCVEGCSA-N	-1	0	253.302	0.203	20	30		CCEDRM
C[C@](O)(CN(CCC#N)Cc1ccccn1)C(=O)[O-]	ZINC000833523970	605498925	/nfs/dbraw/zinc/49/89/25/605498925.db2.gz	BKNZYZGOXNGVEB-ZDUSSCGKSA-N	-1	0	263.297	0.633	20	30		CCEDRM
C[C@@H](NC(=O)[O-])[C@H]1CCN(c2ccc(C#N)nn2)C1	ZINC000833815513	605502418	/nfs/dbraw/zinc/50/24/18/605502418.db2.gz	HKTPAOWCUXRHJW-BDAKNGLRSA-N	-1	0	261.285	0.831	20	30		CCEDRM
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Cc1onc(CC(=O)N[C@@H]2CCCN(C(=O)[O-])C2)c1C#N	ZINC000833936187	605695334	/nfs/dbraw/zinc/69/53/34/605695334.db2.gz	LOCUIIWFKGWNPL-SECBINFHSA-N	-1	0	292.295	0.656	20	30		CCEDRM
Cc1onc(CC(=O)NC[C@@H](NC(=O)[O-])C(C)C)c1C#N	ZINC000833935432	605697771	/nfs/dbraw/zinc/69/77/71/605697771.db2.gz	GSXQAATWSAFPCF-LLVKDONJSA-N	-1	0	294.311	0.806	20	30		CCEDRM
N#Cc1cc(NC(=O)[C@H](CC(N)=O)NC(=O)[O-])ccc1F	ZINC000833974990	605756025	/nfs/dbraw/zinc/75/60/25/605756025.db2.gz	PJTOSFWNEXCXIW-VIFPVBQESA-N	-1	0	294.242	0.147	20	30		CCEDRM
N#C[C@H]1CN(C(=O)[O-])CCN1S(=O)(=O)CC1CCC1	ZINC000833966278	605783950	/nfs/dbraw/zinc/78/39/50/605783950.db2.gz	JGOVLSJSVOBVGY-JTQLQIEISA-N	-1	0	287.341	0.304	20	30		CCEDRM
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C#CCSCCNC(=O)c1cc(C(=O)[O-])no1	ZINC000379287712	605872917	/nfs/dbraw/zinc/87/29/17/605872917.db2.gz	HWMMHNMRKBRDLW-UHFFFAOYSA-N	-1	0	254.267	0.469	20	30		CCEDRM
N#CC1(NC(=O)CCCCNC(=O)[O-])CCOCC1	ZINC000833964061	605922784	/nfs/dbraw/zinc/92/27/84/605922784.db2.gz	YRBWINPIXPLYMX-UHFFFAOYSA-N	-1	0	269.301	0.613	20	30		CCEDRM
N#C[C@@H]1CSCCN1C(=O)[C@H](CC(F)F)NC(=O)[O-]	ZINC000833967378	605978652	/nfs/dbraw/zinc/97/86/52/605978652.db2.gz	QWGJJOOGXSQPHN-RQJHMYQMSA-N	-1	0	293.295	0.745	20	30		CCEDRM
N#CC1CCN(CN2C[C@H](NC(=O)[O-])CC2=O)CC1	ZINC000833967057	605994787	/nfs/dbraw/zinc/99/47/87/605994787.db2.gz	PHOLMPCQCJPWAK-SNVBAGLBSA-N	-1	0	266.301	0.048	20	30		CCEDRM
N#Cc1nc(NC(=O)[C@H]2[C@@H]3CCC[C@@H]32)[n-]c1-c1nn[nH]n1	ZINC000822815324	606378573	/nfs/dbraw/zinc/37/85/73/606378573.db2.gz	OYDCGDFWQFMHAU-BDINMYNLSA-N	-1	0	284.283	0.446	20	30		CCEDRM
C#CCCS(=O)(=O)[N-]C(=O)C(C)(C)COCC(F)F	ZINC000810780722	613052472	/nfs/dbraw/zinc/05/24/72/613052472.db2.gz	OOKPRODOIKKXEU-UHFFFAOYSA-N	-1	0	297.323	0.764	20	30		CCEDRM
C#CCCS(=O)(=O)[N-]C(=O)CCC(C)(F)F	ZINC000810782733	613052784	/nfs/dbraw/zinc/05/27/84/613052784.db2.gz	TZUOTNBOMSEBNJ-UHFFFAOYSA-N	-1	0	253.270	0.891	20	30		CCEDRM
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C#CC[C@H](CO)NC(=O)C1(C(=O)[O-])CC2(CCC2)C1	ZINC000911395043	613053228	/nfs/dbraw/zinc/05/32/28/613053228.db2.gz	JBAZFZRYMRDNCU-SNVBAGLBSA-N	-1	0	265.309	0.522	20	30		CCEDRM
Cc1nc(-c2nnn[n-]2)c(N=NCc2cccnc2N)o1	ZINC000822422966	606989251	/nfs/dbraw/zinc/98/92/51/606989251.db2.gz	GNHLILBHRSRWHY-UHFFFAOYSA-N	-1	0	285.271	0.586	20	30		CCEDRM
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CC(C)S(=O)(=O)[N-]C(=O)[C@@H](C)Sc1nncn1C	ZINC000049417496	624791251	/nfs/dbraw/zinc/79/12/51/624791251.db2.gz	KVEYMPOLOSKVDZ-SSDOTTSWSA-N	-1	0	292.386	0.990	20	30		CCEDRM
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C=C(Cl)C[C@H](NS(=O)(=O)C[C@H](C)COC)C(=O)[O-]	ZINC000871995581	613390947	/nfs/dbraw/zinc/39/09/47/613390947.db2.gz	BSYARGVRRSEJBH-APPZFPTMSA-N	-1	0	299.776	0.784	20	30		CCEDRM
CSC1(C(=O)[N-]S(=O)(=O)c2cncc(C#N)c2)CC1	ZINC000813984479	617203878	/nfs/dbraw/zinc/20/38/78/617203878.db2.gz	SEWUCIVOHXYYLK-UHFFFAOYSA-N	-1	0	297.361	0.654	20	30		CCEDRM
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COc1ccc(C(=O)[O-])cc1S(=O)(=O)NCC#N	ZINC000040605462	617235258	/nfs/dbraw/zinc/23/52/58/617235258.db2.gz	WRSSCCSJKIBOME-UHFFFAOYSA-N	-1	0	270.266	0.195	20	30		CCEDRM
COc1ccc(C=NN2CCOC2=O)c(OCC(=O)[O-])c1	ZINC000863163086	617238166	/nfs/dbraw/zinc/23/81/66/617238166.db2.gz	NTNYAKMEEAVLIF-UHFFFAOYSA-N	-1	0	294.263	0.945	20	30		CCEDRM
CSC[C@H](NC(=O)[C@@]1(C#N)CCCOC1)C(=O)[O-]	ZINC000923104693	617254997	/nfs/dbraw/zinc/25/49/97/617254997.db2.gz	SBOQPKBZADDCEM-GZMMTYOYSA-N	-1	0	272.326	0.239	20	30		CCEDRM
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C#CCOCCC(=O)[N-]S(=O)(=O)c1sccc1C	ZINC000802865595	612980064	/nfs/dbraw/zinc/98/00/64/612980064.db2.gz	FFAYXBVSLGCADZ-UHFFFAOYSA-N	-1	0	287.362	0.901	20	30		CCEDRM
C#CCOCCC(=O)[N-]S(=O)(=O)CC(C)(C)CC	ZINC000870659721	612980196	/nfs/dbraw/zinc/98/01/96/612980196.db2.gz	DIORGNJEFAFFPI-UHFFFAOYSA-N	-1	0	275.370	0.909	20	30		CCEDRM
C#CCCCNC(=O)N1CCC(NC(=O)[O-])CC1	ZINC000823444032	612981283	/nfs/dbraw/zinc/98/12/83/612981283.db2.gz	BOLMWFFGDVITPC-UHFFFAOYSA-N	-1	0	253.302	0.841	20	30		CCEDRM
C#CCCCNC(=O)N1C[C@@H](C(=O)OC)CC[C@H]1C(=O)[O-]	ZINC000909028484	612981650	/nfs/dbraw/zinc/98/16/50/612981650.db2.gz	SDQZHPFMVVZVJH-QWRGUYRKSA-N	-1	0	296.323	0.448	20	30		CCEDRM
C#CCCCNC(=O)N[C@H](C[C@H]1CCCOC1)C(=O)[O-]	ZINC000909028706	612982216	/nfs/dbraw/zinc/98/22/16/612982216.db2.gz	VBKCXXNUIUYARX-VXGBXAGGSA-N	-1	0	282.340	0.969	20	30		CCEDRM
C#CCCCS(=O)(=O)NCc1nc(C2CC2)no1	ZINC000804960524	612984850	/nfs/dbraw/zinc/98/48/50/612984850.db2.gz	YLMHDSGWWBXXPI-UHFFFAOYSA-N	-1	0	269.326	0.780	20	30		CCEDRM
C#CCCN(CC(F)(F)F)S(=O)(=O)c1ncc[n-]1	ZINC000867117310	612986351	/nfs/dbraw/zinc/98/63/51/612986351.db2.gz	QWCISFJQYHMMTL-UHFFFAOYSA-N	-1	0	281.259	0.986	20	30		CCEDRM
C#CCOCCNS(=O)(=O)Cc1ccccc1C(=O)[O-]	ZINC000833366121	612989723	/nfs/dbraw/zinc/98/97/23/612989723.db2.gz	GZYPDZDZMMRFAU-UHFFFAOYSA-N	-1	0	297.332	0.454	20	30		CCEDRM
C#CCO[N-]C(=O)C[C@@](O)(c1nccn1C)C(F)(F)F	ZINC000812782559	612992482	/nfs/dbraw/zinc/99/24/82/612992482.db2.gz	XYCQOVBDISKHHN-SNVBAGLBSA-N	-1	0	291.229	0.241	20	30		CCEDRM
C#CCO[N-]C(=O)[C@H](C)S(=O)(=O)c1ccc(F)cc1	ZINC000812782781	612993068	/nfs/dbraw/zinc/99/30/68/612993068.db2.gz	IQYRUJNXBHSVRV-VIFPVBQESA-N	-1	0	285.296	0.669	20	30		CCEDRM
C#CCO[N-]C(=O)[C@H]1CSCN1C(=O)c1ccccc1	ZINC000812783448	612993262	/nfs/dbraw/zinc/99/32/62/612993262.db2.gz	PQWKOEBMMYVNAF-GFCCVEGCSA-N	-1	0	290.344	0.883	20	30		CCEDRM
C#CCO[C@@H](C)C(=O)N1CCC[C@@]1(COC)C(=O)[O-]	ZINC000909942099	612994562	/nfs/dbraw/zinc/99/45/62/612994562.db2.gz	FWKMQWAOAZQQPM-GXFFZTMASA-N	-1	0	269.297	0.117	20	30		CCEDRM
C#CCO[C@@H](C)C(=O)NCc1cc(C)c(C(=O)[O-])o1	ZINC000910302007	612996394	/nfs/dbraw/zinc/99/63/94/612996394.db2.gz	BVAIRQUZGTXGGU-VIFPVBQESA-N	-1	0	265.265	0.941	20	30		CCEDRM
C#CCO[C@H](C)C(=O)NCc1ccc(C(=O)[O-])cn1	ZINC000911731726	613001902	/nfs/dbraw/zinc/00/19/02/613001902.db2.gz	MQMVKPOMBRSZCW-SECBINFHSA-N	-1	0	262.265	0.434	20	30		CCEDRM
C#CCO[C@H](C)C(=O)[N-]S(=O)(=O)c1sccc1C	ZINC000835409637	613002302	/nfs/dbraw/zinc/00/23/02/613002302.db2.gz	XOKMWQANRNBDRD-SECBINFHSA-N	-1	0	287.362	0.900	20	30		CCEDRM
C#CCO[C@H](C)C(=O)N[C@H](C(=O)[O-])c1ccc(OC)cc1	ZINC000909329700	613002944	/nfs/dbraw/zinc/00/29/44/613002944.db2.gz	XKUISANXDHNXDY-MFKMUULPSA-N	-1	0	291.303	0.975	20	30		CCEDRM
C#CCO[C@H](C)C(=O)N[C@H](CC1(OC)CCC1)C(=O)[O-]	ZINC000909892048	613003071	/nfs/dbraw/zinc/00/30/71/613003071.db2.gz	FTFYBVORNKWGHH-GHMZBOCLSA-N	-1	0	283.324	0.553	20	30		CCEDRM
C#CCO[C@H](C)C(=O)N[C@H](CC(=C)Cl)C(=O)[O-]	ZINC000910269477	613003073	/nfs/dbraw/zinc/00/30/73/613003073.db2.gz	BQJBMRGSVIRTKX-RKDXNWHRSA-N	-1	0	259.689	0.737	20	30		CCEDRM
C#CC[C@@H](CO)NC(=O)c1cc(=O)n(-c2ccc(C)cc2)[n-]1	ZINC000820060084	613028565	/nfs/dbraw/zinc/02/85/65/613028565.db2.gz	TVWMKZHXYDCHHI-LBPRGKRZSA-N	-1	0	299.330	0.588	20	30		CCEDRM
C#CC[C@@H](CO)NC(=O)c1n[n-]c2ccccc2c1=O	ZINC000816671076	613029950	/nfs/dbraw/zinc/02/99/50/613029950.db2.gz	MVVAUEQGIAFPJJ-VIFPVBQESA-N	-1	0	271.276	0.449	20	30		CCEDRM
C#CC[C@@H](NC(=O)[C@@H](O)C1CCCCC1)C(=O)[O-]	ZINC000910052299	613040551	/nfs/dbraw/zinc/04/05/51/613040551.db2.gz	SSGFMBPIUINSGN-MNOVXSKESA-N	-1	0	253.298	0.520	20	30		CCEDRM
C#CC[C@@H](NC(=O)c1cccc2c1OCC2)C(=O)[O-]	ZINC000907718366	613042017	/nfs/dbraw/zinc/04/20/17/613042017.db2.gz	FWYUKIHGZZEZEP-LLVKDONJSA-N	-1	0	259.261	0.828	20	30		CCEDRM
C#CC[C@@H](NC(=O)c1cnc2n1CCCCC2)C(=O)[O-]	ZINC000910050041	613042265	/nfs/dbraw/zinc/04/22/65/613042265.db2.gz	CNJRKIPDOVGGBB-SNVBAGLBSA-N	-1	0	275.308	0.816	20	30		CCEDRM
C#CCCNC(=O)N[C@@H](CNC(=O)[O-])CC(C)C	ZINC000823444954	613047418	/nfs/dbraw/zinc/04/74/18/613047418.db2.gz	RLUCHMZFORCIEK-SNVBAGLBSA-N	-1	0	255.318	0.991	20	30		CCEDRM
C#CCCS(=O)(=O)[N-]C(=O)C(F)(F)C1CCOCC1	ZINC000810782438	613052510	/nfs/dbraw/zinc/05/25/10/613052510.db2.gz	MOFRAUWJHVIQEA-UHFFFAOYSA-N	-1	0	295.307	0.518	20	30		CCEDRM
C#CCCS(=O)(=O)[N-]C(=O)Cc1ccc2c(c1)COC2	ZINC000810780574	613053063	/nfs/dbraw/zinc/05/30/63/613053063.db2.gz	IROIOPOSKICIIZ-UHFFFAOYSA-N	-1	0	293.344	0.729	20	30		CCEDRM
C#CCCS(=O)(=O)[N-]C(=O)[C@@H]1CCO[C@@H](CC)C1	ZINC000810785140	613053202	/nfs/dbraw/zinc/05/32/02/613053202.db2.gz	YQVLBKQCSLJFMU-MNOVXSKESA-N	-1	0	273.354	0.661	20	30		CCEDRM
C#CCCS(=O)(=O)[N-]C(=O)[C@]12CCC[C@H]1OCC2	ZINC000870331238	613053402	/nfs/dbraw/zinc/05/34/02/613053402.db2.gz	KVMXHHCOHJVDHA-PWSUYJOCSA-N	-1	0	271.338	0.415	20	30		CCEDRM
C#CCCS(=O)(=O)[N-]C(=O)c1cnc2c(cnn2C)c1	ZINC000810781021	613053753	/nfs/dbraw/zinc/05/37/53/613053753.db2.gz	BFWLBHLPYYHRBK-UHFFFAOYSA-N	-1	0	292.320	0.051	20	30		CCEDRM
C#CCCS(=O)(=O)[N-]C(=O)c1csc(COC)n1	ZINC000810784236	613053852	/nfs/dbraw/zinc/05/38/52/613053852.db2.gz	XNPBMJOJHWIKGS-UHFFFAOYSA-N	-1	0	288.350	0.372	20	30		CCEDRM
C#CC[C@H](CO)NC(=O)c1cc(C)cc(C(=O)[O-])c1	ZINC000911394636	613057524	/nfs/dbraw/zinc/05/75/24/613057524.db2.gz	BDVILSKRCKYVHF-GFCCVEGCSA-N	-1	0	261.277	0.807	20	30		CCEDRM
C#CCC[C@@H](O)CNC(=O)c1ccc([N+](=O)[O-])c([O-])c1	ZINC000799076074	613058845	/nfs/dbraw/zinc/05/88/45/613058845.db2.gz	QUQPCIVNXYULOG-SNVBAGLBSA-N	-1	0	278.264	0.805	20	30		CCEDRM
C#CC[C@H](NC(=O)Cc1nc(C)sc1C)C(=O)[O-]	ZINC000910052116	613068241	/nfs/dbraw/zinc/06/82/41/613068241.db2.gz	OMDPBJIRIAVBTR-VIFPVBQESA-N	-1	0	266.322	0.895	20	30		CCEDRM
C#CC[C@H](NC(=O)Cc1ccc2c(c1)OCO2)C(=O)[O-]	ZINC000910053744	613068266	/nfs/dbraw/zinc/06/82/66/613068266.db2.gz	CUTHMFFGHIRQIC-JTQLQIEISA-N	-1	0	275.260	0.551	20	30		CCEDRM
C#CC[C@H](NC(=O)[C@@H]1CCCN(C(=O)CCC)C1)C(=O)[O-]	ZINC000910052713	613068801	/nfs/dbraw/zinc/06/88/01/613068801.db2.gz	HDCVSXWEBJESAO-NEPJUHHUSA-N	-1	0	294.351	0.618	20	30		CCEDRM
C#CC[C@H](NC(=O)c1c(C)nsc1NC)C(=O)[O-]	ZINC000910052251	613069921	/nfs/dbraw/zinc/06/99/21/613069921.db2.gz	QFWMPGGJAQYQNU-ZETCQYMHSA-N	-1	0	267.310	0.700	20	30		CCEDRM
C#CC[C@H](NC(=O)c1c(C)ccnc1OCC)C(=O)[O-]	ZINC000910050835	613069953	/nfs/dbraw/zinc/06/99/53/613069953.db2.gz	OPZDEYBGHROMRC-JTQLQIEISA-N	-1	0	276.292	0.995	20	30		CCEDRM
C#CC[C@H](NC(=O)c1ccc(C(=O)N(C)C)cc1)C(=O)[O-]	ZINC000910054769	613070221	/nfs/dbraw/zinc/07/02/21/613070221.db2.gz	XPVYFUHKZMKTHG-LBPRGKRZSA-N	-1	0	288.303	0.595	20	30		CCEDRM
C#CC[C@H](NC(=O)c1cccc(OCCOC)c1)C(=O)[O-]	ZINC000910053887	613070406	/nfs/dbraw/zinc/07/04/06/613070406.db2.gz	ZJCNKEONPJZZHV-ZDUSSCGKSA-N	-1	0	291.303	0.918	20	30		CCEDRM
C#CC[C@H](NC(=O)c1cnn(C)c1C1CC1)C(=O)[O-]	ZINC000910054132	613070630	/nfs/dbraw/zinc/07/06/30/613070630.db2.gz	LPUXUTIQHJRZHB-JTQLQIEISA-N	-1	0	261.281	0.504	20	30		CCEDRM
C#CCN(CC#C)S(=O)(=O)c1ccc(C(=O)[O-])nc1	ZINC000833364918	613099300	/nfs/dbraw/zinc/09/93/00/613099300.db2.gz	VBSVFYRDOUFWEL-UHFFFAOYSA-N	-1	0	278.289	0.037	20	30		CCEDRM
C#CCN(CC#C)S(=O)(=O)Cc1ccccc1C(=O)[O-]	ZINC000825609080	613099370	/nfs/dbraw/zinc/09/93/70/613099370.db2.gz	SFXFOLLPMFSYMQ-UHFFFAOYSA-N	-1	0	291.328	0.783	20	30		CCEDRM
C#CCN(CC#CC)C(=O)CN(CC1CC1)C(=O)[O-]	ZINC000823450921	613099572	/nfs/dbraw/zinc/09/95/72/613099572.db2.gz	KIEBDICEZBAPJE-UHFFFAOYSA-N	-1	0	262.309	0.862	20	30		CCEDRM
C#CCN(CC#CC)C(=O)Cc1cc(=O)n(CC(C)C)[n-]1	ZINC000933615907	613099852	/nfs/dbraw/zinc/09/98/52/613099852.db2.gz	YCZYQEIINZPQAH-UHFFFAOYSA-N	-1	0	287.363	0.860	20	30		CCEDRM
C#CCN(CC#CC)C(=O)[C@@H]1CC[C@@H](NC(=O)[O-])C1	ZINC000823451396	613100021	/nfs/dbraw/zinc/10/00/21/613100021.db2.gz	TWLFDFLAABSBQZ-VXGBXAGGSA-N	-1	0	262.309	0.908	20	30		CCEDRM
C#CCN(CC(=O)[O-])S(=O)(=O)CCc1ccc(F)cc1	ZINC000849219582	613103539	/nfs/dbraw/zinc/10/35/39/613103539.db2.gz	QHOCYMUZQOURHN-UHFFFAOYSA-N	-1	0	299.323	0.718	20	30		CCEDRM
C#C[C@H](C)N(C)S(=O)(=O)c1cc(C(=O)[O-])ccc1[O-]	ZINC000906958420	613114388	/nfs/dbraw/zinc/11/43/88/613114388.db2.gz	XQJLRJOZCYDJQW-QMMMGPOBSA-N	-1	0	283.305	0.733	20	30		CCEDRM
C#C[C@H](CO)NC(=O)c1ccccc1CCC(=O)[O-]	ZINC000911611439	613129876	/nfs/dbraw/zinc/12/98/76/613129876.db2.gz	LELFRFKFHJRNTN-LLVKDONJSA-N	-1	0	261.277	0.428	20	30		CCEDRM
C#C[C@H](NC(=O)NCCC(C)(C)C(=O)[O-])[C@@H]1CCCO1	ZINC000818623509	613139190	/nfs/dbraw/zinc/13/91/90/613139190.db2.gz	GUEIDFKCKPJVCR-QWRGUYRKSA-N	-1	0	282.340	0.967	20	30		CCEDRM
C#C[C@H](NS(=O)(=O)c1ncc[n-]1)C1CCOCC1	ZINC000867529302	613152864	/nfs/dbraw/zinc/15/28/64/613152864.db2.gz	GNAWZTQLUZGAHL-JTQLQIEISA-N	-1	0	269.326	0.116	20	30		CCEDRM
C#CCN1CCC[C@H](N=c2nn[n-]n2Cc2ccccc2)C1	ZINC000895200635	613181199	/nfs/dbraw/zinc/18/11/99/613181199.db2.gz	HWJHTMZVFWIKCM-HNNXBMFYSA-N	-1	0	296.378	0.653	20	30		CCEDRM
C#CCN1CCC[C@H](NC(=O)c2[nH]nc(C)c2[O-])C1	ZINC000923564647	613192187	/nfs/dbraw/zinc/19/21/87/613192187.db2.gz	ATXMOTSEBQZHHB-JTQLQIEISA-N	-1	0	262.313	0.251	20	30		CCEDRM
C#Cc1cccc(CNC(=O)[C@@H]2CC[C@H](C(=O)[O-])O2)c1	ZINC000840729797	613201210	/nfs/dbraw/zinc/20/12/10/613201210.db2.gz	DGEORHCLFIYOLU-QWHCGFSZSA-N	-1	0	273.288	0.916	20	30		CCEDRM
C#Cc1cncc(C(=O)N(CC(=O)[O-])C2CCOCC2)c1	ZINC000909024158	613211627	/nfs/dbraw/zinc/21/16/27/613211627.db2.gz	NOIYSKPGRJXDIP-UHFFFAOYSA-N	-1	0	288.303	0.769	20	30		CCEDRM
C=C(C)C(C)(C)C(=O)N1CCO[C@H](c2nnn[n-]2)C1	ZINC000819256010	613241780	/nfs/dbraw/zinc/24/17/80/613241780.db2.gz	GLKGJZWIWLXBPR-VIFPVBQESA-N	-1	0	265.317	0.702	20	30		CCEDRM
C=C(C)C(C)(C)C(=O)N[C@@H](C)C(=O)N[C@H](C)C(=O)[O-]	ZINC000910745289	613244449	/nfs/dbraw/zinc/24/44/49/613244449.db2.gz	HRWSEVSUMXIZKL-DTWKUNHWSA-N	-1	0	270.329	0.683	20	30		CCEDRM
C#CCNC(=O)CN1CCC[C@@H](C)[C@H]1CNC(=O)[O-]	ZINC000823456545	613328839	/nfs/dbraw/zinc/32/88/39/613328839.db2.gz	NOXIPFYMFUEFJI-GHMZBOCLSA-N	-1	0	267.329	0.104	20	30		CCEDRM
C=C(C)CO[N-]C(=O)C1(C(=O)OCC)CCOCC1	ZINC000846534010	613352372	/nfs/dbraw/zinc/35/23/72/613352372.db2.gz	RHWGXIQZZOIMLJ-UHFFFAOYSA-N	-1	0	271.313	0.970	20	30		CCEDRM
C=C(C)CO[N-]C(=O)[C@@H]1CCCN1S(C)(=O)=O	ZINC000846536962	613353872	/nfs/dbraw/zinc/35/38/72/613353872.db2.gz	CWEPIASIZLGQBP-VIFPVBQESA-N	-1	0	262.331	0.034	20	30		CCEDRM
C=C(C)CS(=O)(=O)N[C@H](C(=O)[O-])[C@@H](O)c1ccccc1	ZINC000844785763	613354267	/nfs/dbraw/zinc/35/42/67/613354267.db2.gz	MSSQJMWBIZNABS-RYUDHWBXSA-N	-1	0	299.348	0.669	20	30		CCEDRM
C=C(C)CS(=O)(=O)N[C@H](C[C@H]1CCCO1)C(=O)[O-]	ZINC000903029266	613354346	/nfs/dbraw/zinc/35/43/46/613354346.db2.gz	HQGGJEYHSQAENZ-NXEZZACHSA-N	-1	0	277.342	0.504	20	30		CCEDRM
C=C(C)C[C@@H](NC(=O)[C@H]1CCc2cncn2C1)C(=O)[O-]	ZINC000910294362	613356095	/nfs/dbraw/zinc/35/60/95/613356095.db2.gz	QDHSMCYJVLPTSJ-CMPLNLGQSA-N	-1	0	277.324	0.981	20	30		CCEDRM
C=C(C)C[C@@H](NC(=O)c1cnn2c1OCCC2)C(=O)[O-]	ZINC000910291396	613356188	/nfs/dbraw/zinc/35/61/88/613356188.db2.gz	HVKQEDICBUROIE-SNVBAGLBSA-N	-1	0	279.296	0.815	20	30		CCEDRM
C=C(C)C[C@H](CO)NC(=O)C(C)(C)[N-]C(=O)C(F)(F)F	ZINC000882899917	613357172	/nfs/dbraw/zinc/35/71/72/613357172.db2.gz	ZJLQNZKXHMJFLM-MRVPVSSYSA-N	-1	0	296.289	0.887	20	30		CCEDRM
C=C(C)C[C@H](NC(=O)/C=C\c1cnn(C)c1)C(=O)[O-]	ZINC000864187059	613358582	/nfs/dbraw/zinc/35/85/82/613358582.db2.gz	CUBVRGIJBYVIND-WYGGZMRJSA-N	-1	0	263.297	0.969	20	30		CCEDRM
C=C(C)C[C@H](NC(=O)[C@@H](C)n1cncn1)C(=O)[O-]	ZINC000864188374	613358754	/nfs/dbraw/zinc/35/87/54/613358754.db2.gz	TYWKJBFCCAKTBF-BDAKNGLRSA-N	-1	0	252.274	0.375	20	30		CCEDRM
C=C(C)C[C@H](NC(=O)N[C@H]1COC[C@@H]1C)C(=O)[O-]	ZINC000905607301	613358782	/nfs/dbraw/zinc/35/87/82/613358782.db2.gz	KEQPDEXHFOUGSD-GUBZILKMSA-N	-1	0	256.302	0.740	20	30		CCEDRM
C=C(C)C[C@H](NC(C)=O)C(=O)OCc1n[nH]c(=O)[n-]1	ZINC000849962691	613359673	/nfs/dbraw/zinc/35/96/73/613359673.db2.gz	UGEIFUKRYZCGAK-QMMMGPOBSA-N	-1	0	268.273	0.024	20	30		CCEDRM
C=C(C)[C@@H](CC(=O)N[C@](C)(COC)C(=O)[O-])OCC	ZINC000833366819	613360295	/nfs/dbraw/zinc/36/02/95/613360295.db2.gz	DLJGXCRQMXPFCN-ZWNOBZJWSA-N	-1	0	273.329	0.964	20	30		CCEDRM
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@H]1C[C@H](C(=O)[O-])C1	ZINC000902666119	613361591	/nfs/dbraw/zinc/36/15/91/613361591.db2.gz	BVGRCHJFZWJCGK-NAKRPEOUSA-N	-1	0	253.298	0.947	20	30		CCEDRM
C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)Cn1ccc(C(=O)[O-])n1	ZINC000910252651	613361824	/nfs/dbraw/zinc/36/18/24/613361824.db2.gz	VXSFDHCOKAYKES-MFKMUULPSA-N	-1	0	293.323	0.679	20	30		CCEDRM
C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)N1C[C@H](O)C[C@@H]1C(=O)[O-]	ZINC000908704719	613361856	/nfs/dbraw/zinc/36/18/56/613361856.db2.gz	YTECGHJGQWXSLY-KKOKHZNYSA-N	-1	0	298.339	0.197	20	30		CCEDRM
C=C(C)[C@H](CC(=O)N1CCOC[C@@H]1C(=O)[O-])OCC	ZINC000833367744	613362211	/nfs/dbraw/zinc/36/22/11/613362211.db2.gz	SUBMHRXMLJGSDN-MNOVXSKESA-N	-1	0	271.313	0.670	20	30		CCEDRM
C=C(COC(=O)c1cc(C(=O)[O-])no1)C(=O)OCC	ZINC000833370114	613367493	/nfs/dbraw/zinc/36/74/93/613367493.db2.gz	KSPTZOJHGWUJMV-UHFFFAOYSA-N	-1	0	269.209	0.649	20	30		CCEDRM
C=C(COC(=O)[C@H]1COCCN1C(=O)[O-])C(=O)OCC	ZINC000823480722	613367516	/nfs/dbraw/zinc/36/75/16/613367516.db2.gz	MEXDTKWGFOIWKT-SECBINFHSA-N	-1	0	287.268	0.028	20	30		CCEDRM
C=C(Cl)CNC(=O)[C@@]1(F)CCN(C(=O)[O-])C1	ZINC000823480726	613383765	/nfs/dbraw/zinc/38/37/65/613383765.db2.gz	MFZSKZIQARKERG-SECBINFHSA-N	-1	0	250.657	0.947	20	30		CCEDRM
C=C(Cl)C[C@H](NC(=O)NC[C@@H]1COCCO1)C(=O)[O-]	ZINC000864526875	613390670	/nfs/dbraw/zinc/39/06/70/613390670.db2.gz	RNMFUFUSRFUINM-BDAKNGLRSA-N	-1	0	292.719	0.297	20	30		CCEDRM
C=C(Cl)C[C@H](NC(=O)[C@H](O)C1CCOCC1)C(=O)[O-]	ZINC000910267739	613390797	/nfs/dbraw/zinc/39/07/97/613390797.db2.gz	UKYMTMPFDKKAKP-VHSXEESVSA-N	-1	0	291.731	0.486	20	30		CCEDRM
C=C1CC(C)(C(=O)N2CC(n3cc(C(=O)[O-])nn3)C2)C1	ZINC000909504684	613393227	/nfs/dbraw/zinc/39/32/27/613393227.db2.gz	CXVQYZZZXFGWMU-UHFFFAOYSA-N	-1	0	276.296	0.716	20	30		CCEDRM
C=CC[C@@H](CO)[N-]S(=O)(=O)N=S(=O)(CC)CC	ZINC000867101421	613405222	/nfs/dbraw/zinc/40/52/22/613405222.db2.gz	UNWMPHKVBKAGJW-VIFPVBQESA-N	-1	0	284.403	0.266	20	30		CCEDRM
C=C1CCN(C(=O)C[C@H]2CN(C(=O)[O-])CCO2)CC1	ZINC000823485342	613414529	/nfs/dbraw/zinc/41/45/29/613414529.db2.gz	DRNRWUIEYMAISW-NSHDSACASA-N	-1	0	268.313	0.934	20	30		CCEDRM
C=CC[C@H](CO)[N-]S(=O)(=O)N=[S@@](C)(=O)C(C)(C)C	ZINC000872472848	613418678	/nfs/dbraw/zinc/41/86/78/613418678.db2.gz	VABVCAKKVCZRRE-XLFHBGCDSA-N	-1	0	298.430	0.654	20	30		CCEDRM
C=CCn1cc(C(=O)N[C@H](CC(=C)Cl)C(=O)[O-])nn1	ZINC000864186197	613430566	/nfs/dbraw/zinc/43/05/66/613430566.db2.gz	KLQWXUPINFSYDG-MRVPVSSYSA-N	-1	0	284.703	0.790	20	30		CCEDRM
C=C[C@@H](C)NC(=O)CO[C@@H]1CCCN(C(=O)[O-])C1	ZINC000823490515	613442365	/nfs/dbraw/zinc/44/23/65/613442365.db2.gz	FHAALJWFLBEEEV-NXEZZACHSA-N	-1	0	256.302	0.836	20	30		CCEDRM
C=C[C@@H](C)NC(=O)c1cn(C2CCN(C(=O)[O-])CC2)nn1	ZINC000823490639	613442657	/nfs/dbraw/zinc/44/26/57/613442657.db2.gz	IKUAHEWSHNUCTA-SECBINFHSA-N	-1	0	293.327	0.897	20	30		CCEDRM
C=CC(C)(C)NS(=O)(=O)N1CCC(C(=O)[O-])CC1	ZINC000903556471	613449462	/nfs/dbraw/zinc/44/94/62/613449462.db2.gz	AACMGRKGNQKWHF-UHFFFAOYSA-N	-1	0	276.358	0.582	20	30		CCEDRM
C=CC1(S(=O)(=O)[N-]C(=O)[C@@H]2O[C@@H](C)C[C@H]2C)CC1	ZINC000870837163	613451175	/nfs/dbraw/zinc/45/11/75/613451175.db2.gz	ZHLUKEZYYFLFFI-KXUCPTDWSA-N	-1	0	273.354	0.965	20	30		CCEDRM
C=CC1(S(=O)(=O)[N-]C(=O)[C@@H]2CCCOC2)CC1	ZINC000870832548	613451307	/nfs/dbraw/zinc/45/13/07/613451307.db2.gz	LCMVUOXSZZACIW-SECBINFHSA-N	-1	0	259.327	0.578	20	30		CCEDRM
C=CC1(S(=O)(=O)[N-]C(=O)[C@@H]2CO[C@@H](C)C2)CC1	ZINC000870836224	613451321	/nfs/dbraw/zinc/45/13/21/613451321.db2.gz	UFPKZWPZZAYJGX-IUCAKERBSA-N	-1	0	259.327	0.576	20	30		CCEDRM
C=C[C@@H](O)C(=O)NC[C@@H](Cc1cccc(F)c1)C(=O)[O-]	ZINC000909236963	613451680	/nfs/dbraw/zinc/45/16/80/613451680.db2.gz	WMKHTZNHXQCEJP-ZYHUDNBSSA-N	-1	0	281.283	0.732	20	30		CCEDRM
C=CC1(S(=O)(=O)[N-]C(=O)c2cc(OC)n(C)n2)CC1	ZINC000870835590	613452015	/nfs/dbraw/zinc/45/20/15/613452015.db2.gz	GFTWUIKPOTZPCC-UHFFFAOYSA-N	-1	0	285.325	0.207	20	30		CCEDRM
C=CC1(S(=O)(=O)[N-]C(=O)c2nocc2C)CC1	ZINC000870839799	613452219	/nfs/dbraw/zinc/45/22/19/613452219.db2.gz	XABKPVOBUBKSCD-UHFFFAOYSA-N	-1	0	256.283	0.761	20	30		CCEDRM
C=CC1(S(=O)(=O)[N-]C(=O)c2ncccc2F)CC1	ZINC000870839199	613452255	/nfs/dbraw/zinc/45/22/55/613452255.db2.gz	GHQHOFKCVFLDTP-UHFFFAOYSA-N	-1	0	270.285	0.999	20	30		CCEDRM
C=CCC1(S(=O)(=O)[N-]C(=O)[C@H]2CCCOC2)CC1	ZINC000810987686	613461289	/nfs/dbraw/zinc/46/12/89/613461289.db2.gz	VTFQEWBXAYAVNY-JTQLQIEISA-N	-1	0	273.354	0.968	20	30		CCEDRM
C=CCCC(C)(C)CNC(=O)NCC(=O)[N-]OC	ZINC000923605321	613464197	/nfs/dbraw/zinc/46/41/97/613464197.db2.gz	OFTWROHWIQUPMZ-UHFFFAOYSA-N	-1	0	257.334	0.956	20	30		CCEDRM
C=C[C@@H]1OCC[C@H]1CNC(=O)N[C@@H](CCF)C(=O)[O-]	ZINC000909237663	613469715	/nfs/dbraw/zinc/46/97/15/613469715.db2.gz	IRLBUMRKLRQHSU-GUBZILKMSA-N	-1	0	274.292	0.690	20	30		CCEDRM
C=C[C@@H]1OCC[C@H]1CNC(=O)N[C@H](C(=O)[O-])C1CC1	ZINC000909237191	613469760	/nfs/dbraw/zinc/46/97/60/613469760.db2.gz	FGESGTRRPASCLX-DCAQKATOSA-N	-1	0	268.313	0.740	20	30		CCEDRM
C=CCCC[C@@H](NC(=O)CCC(=O)NCC)C(=O)[O-]	ZINC000910915329	613470382	/nfs/dbraw/zinc/47/03/82/613470382.db2.gz	XMXOUNBNWRDOFP-SNVBAGLBSA-N	-1	0	270.329	0.828	20	30		CCEDRM
C=CCCC[C@@H](NC(=O)[C@@H](O)C1CCOCC1)C(=O)[O-]	ZINC000910915825	613470965	/nfs/dbraw/zinc/47/09/65/613470965.db2.gz	BNUGEFHFMDIJNV-NEPJUHHUSA-N	-1	0	285.340	0.700	20	30		CCEDRM
C=CCCC[C@@H](NC(=O)c1cnn(CC)n1)C(=O)[O-]	ZINC000910924848	613471518	/nfs/dbraw/zinc/47/15/18/613471518.db2.gz	FJVWUILXLBTTSE-SECBINFHSA-N	-1	0	266.301	0.837	20	30		CCEDRM
C=CCCC[C@@H](NS(=O)(=O)N(C)CC)C(=O)[O-]	ZINC000903058645	613471582	/nfs/dbraw/zinc/47/15/82/613471582.db2.gz	IRGWLYVLMIUEOD-SECBINFHSA-N	-1	0	264.347	0.582	20	30		CCEDRM
C=CCCC[C@@H](NS(=O)(=O)N(C)CCC)C(=O)[O-]	ZINC000903060096	613471854	/nfs/dbraw/zinc/47/18/54/613471854.db2.gz	ZVZJYTQDGMLXGC-SNVBAGLBSA-N	-1	0	278.374	0.972	20	30		CCEDRM
C=CCCC[C@H](NC(=O)c1ccc(=O)n(C)c1)C(=O)[O-]	ZINC000910916477	613474107	/nfs/dbraw/zinc/47/41/07/613474107.db2.gz	WIHNFNVNYCIPAO-NSHDSACASA-N	-1	0	278.308	0.925	20	30		CCEDRM
C=CCCC[C@H](NS(=O)(=O)N1CCCC1)C(=O)[O-]	ZINC000903059942	613474657	/nfs/dbraw/zinc/47/46/57/613474657.db2.gz	XRUQHPMSTUDTCA-JTQLQIEISA-N	-1	0	276.358	0.726	20	30		CCEDRM
C=C[C@@](C)(O)C(=O)NC[C@H](Cc1ccccc1)C(=O)[O-]	ZINC000909182879	613478623	/nfs/dbraw/zinc/47/86/23/613478623.db2.gz	OOPMALKHPDKHFU-SWLSCSKDSA-N	-1	0	277.320	0.983	20	30		CCEDRM
C=C[C@H](C)O[N-]C(=O)C(=O)Nc1cncc(OC)c1	ZINC000873934220	613483684	/nfs/dbraw/zinc/48/36/84/613483684.db2.gz	IEONQAQMYZZEMS-QMMMGPOBSA-N	-1	0	265.269	0.651	20	30		CCEDRM
C=C[C@H](C)O[N-]C(=O)CSCC(=O)N1CCOCC1	ZINC000846541404	613484130	/nfs/dbraw/zinc/48/41/30/613484130.db2.gz	GYFWSMNZCLTRCV-JTQLQIEISA-N	-1	0	288.369	0.201	20	30		CCEDRM
C=C[C@H](C)O[N-]C(=O)[C@H](NS(=O)(=O)C1CC1)C(C)C	ZINC000855026772	613488336	/nfs/dbraw/zinc/48/83/36/613488336.db2.gz	OXPMSYOWKJFORP-GXSJLCMTSA-N	-1	0	290.385	0.715	20	30		CCEDRM
C=C[C@H](CCC(=O)[O-])NS(=O)(=O)CC1(F)CC1	ZINC000903846481	613489933	/nfs/dbraw/zinc/48/99/33/613489933.db2.gz	PKBHUKXRLKNCHZ-MRVPVSSYSA-N	-1	0	265.306	0.827	20	30		CCEDRM
C=C[C@H](O)C(=O)N(CCC(=O)[O-])Cc1ccncc1	ZINC000911524055	613493560	/nfs/dbraw/zinc/49/35/60/613493560.db2.gz	IPWUHDVCPGHAFY-NSHDSACASA-N	-1	0	264.281	0.432	20	30		CCEDRM
C=C[C@H](O)C(=O)N1CCc2cccc(C(=O)[O-])c2C1	ZINC000909868114	613494923	/nfs/dbraw/zinc/49/49/23/613494923.db2.gz	FEDALNQQTXQDET-LBPRGKRZSA-N	-1	0	261.277	0.816	20	30		CCEDRM
C=C[C@H](O)C(=O)NC[C@H](Cc1cccc(F)c1)C(=O)[O-]	ZINC000909236956	613495893	/nfs/dbraw/zinc/49/58/93/613495893.db2.gz	WMKHTZNHXQCEJP-JQWIXIFHSA-N	-1	0	281.283	0.732	20	30		CCEDRM
C=C[C@](C)(CCOC)C(=O)NCCn1cnc(C(=O)[O-])c1	ZINC000909910872	613505487	/nfs/dbraw/zinc/50/54/87/613505487.db2.gz	PRIIEHYDKDYHFY-CQSZACIVSA-N	-1	0	295.339	0.926	20	30		CCEDRM
CC#CCCNC(=O)N1CC[C@@H](OC)C[C@H]1C(=O)[O-]	ZINC000909032543	613521495	/nfs/dbraw/zinc/52/14/95/613521495.db2.gz	XCVNRSJSMIMXGJ-MNOVXSKESA-N	-1	0	268.313	0.673	20	30		CCEDRM
C=CCCO[N-]C(=O)CC(=O)NCC(F)(F)F	ZINC000856034929	613576247	/nfs/dbraw/zinc/57/62/47/613576247.db2.gz	WWNSELBMPUXTKI-UHFFFAOYSA-N	-1	0	254.208	0.679	20	30		CCEDRM
C=CCCNC(=O)N[C@H](C[C@@H]1CCCO1)C(=O)[O-]	ZINC000905543689	613569393	/nfs/dbraw/zinc/56/93/93/613569393.db2.gz	MQUIHLAFFCXCDK-VHSXEESVSA-N	-1	0	256.302	0.884	20	30		CCEDRM
C=CCCOCC(=O)[N-]S(=O)(=O)c1cnc2n1CCC2	ZINC000802208131	613572841	/nfs/dbraw/zinc/57/28/41/613572841.db2.gz	AIPUXNZOFYGJQF-UHFFFAOYSA-N	-1	0	299.352	0.227	20	30		CCEDRM
C=CCCOCCNC(=O)N[C@H](CSC)C(=O)[O-]	ZINC000909116699	613575106	/nfs/dbraw/zinc/57/51/06/613575106.db2.gz	GTCZCPNMMQKTBT-SECBINFHSA-N	-1	0	276.358	0.695	20	30		CCEDRM
C=CCCO[C@@H](C)C(=O)[N-]S(=O)(=O)C1(COC)CC1	ZINC000811159107	613578256	/nfs/dbraw/zinc/57/82/56/613578256.db2.gz	GJHWLFKOMOQJQS-JTQLQIEISA-N	-1	0	291.369	0.593	20	30		CCEDRM
C=CCCO[C@H](C)C(=O)N1CCC[C@@H](O)[C@@H]1C(=O)[O-]	ZINC000911639521	613578989	/nfs/dbraw/zinc/57/89/89/613578989.db2.gz	SGPMMLFFKCANKB-GMTAPVOTSA-N	-1	0	271.313	0.404	20	30		CCEDRM
C=CCCS(=O)(=O)N(C)[C@@H](COCC)C(=O)[O-]	ZINC000825676082	613580114	/nfs/dbraw/zinc/58/01/14/613580114.db2.gz	SLZICLNAQZKWJJ-VIFPVBQESA-N	-1	0	265.331	0.314	20	30		CCEDRM
C=CCCS(=O)(=O)N1CC[C@@H](N(C)C(=O)[O-])C1	ZINC000823501470	613580788	/nfs/dbraw/zinc/58/07/88/613580788.db2.gz	XIJXBSJAMFPUAU-SECBINFHSA-N	-1	0	262.331	0.576	20	30		CCEDRM
C=CCCS(=O)(=O)N[C@H]1C[C@@H](C(=O)[O-])[C@@H]2C[C@@H]21	ZINC000926604974	613582159	/nfs/dbraw/zinc/58/21/59/613582159.db2.gz	SHRHGCMOOFOPTQ-RGOKHQFPSA-N	-1	0	259.327	0.591	20	30		CCEDRM
C=CCCSCCNC(=O)NCC(=O)[N-]OC	ZINC000923224351	613582657	/nfs/dbraw/zinc/58/26/57/613582657.db2.gz	HHCVUTMDLCCNDL-UHFFFAOYSA-N	-1	0	261.347	0.273	20	30		CCEDRM
C=CCC[C@@H](NC(=O)[C@@H](O)CCSC)C(=O)[O-]	ZINC000909717707	613584834	/nfs/dbraw/zinc/58/48/34/613584834.db2.gz	KKLYMDQKLBLRPP-BDAKNGLRSA-N	-1	0	261.343	0.636	20	30		CCEDRM
C=CCC[C@@H](NC(=O)Cn1nnc2c1CCCC2)C(=O)[O-]	ZINC000909713066	613584944	/nfs/dbraw/zinc/58/49/44/613584944.db2.gz	DSKOZRFBZSQZGW-LLVKDONJSA-N	-1	0	292.339	0.693	20	30		CCEDRM
C=CCC[C@@H](NC(=O)[C@]1(O)CCSC1)C(=O)[O-]	ZINC000909715319	613584965	/nfs/dbraw/zinc/58/49/65/613584965.db2.gz	LQTYBEMIBBQCAA-KCJUWKMLSA-N	-1	0	259.327	0.390	20	30		CCEDRM
C=CCC[C@@H](NC(=O)Cc1cn(CC)nn1)C(=O)[O-]	ZINC000899296516	613584989	/nfs/dbraw/zinc/58/49/89/613584989.db2.gz	YYNDCGGUKMFNML-SNVBAGLBSA-N	-1	0	266.301	0.376	20	30		CCEDRM
C=CCC[C@@H](NC(=O)c1cnn(CCOC)c1)C(=O)[O-]	ZINC000909717423	613585898	/nfs/dbraw/zinc/58/58/98/613585898.db2.gz	ZPQWNZXRACNKHJ-LLVKDONJSA-N	-1	0	281.312	0.679	20	30		CCEDRM
C=CCC[C@H](NC(=O)[C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@H]12)C(=O)[O-]	ZINC000899294945	613590181	/nfs/dbraw/zinc/59/01/81/613590181.db2.gz	GVRLAOWDDFFSDB-NAFSEIKSSA-N	-1	0	265.309	0.945	20	30		CCEDRM
C=CCC[C@H](NC(=O)c1coc(CO)c1)C(=O)[O-]	ZINC000909714487	613590533	/nfs/dbraw/zinc/59/05/33/613590533.db2.gz	XPYXZVYIHDQVGQ-JTQLQIEISA-N	-1	0	253.254	0.921	20	30		CCEDRM
C=CCN(C(=O)C(=O)NC[C@@H](CC)C(=O)[O-])C(C)C	ZINC000927954298	613603519	/nfs/dbraw/zinc/60/35/19/613603519.db2.gz	YTDGEHSQVMNZKT-SNVBAGLBSA-N	-1	0	270.329	0.636	20	30		CCEDRM
C=CCN(CC(=O)[O-])C(=O)NCCC[C@H](C)CO	ZINC000909171978	613642493	/nfs/dbraw/zinc/64/24/93/613642493.db2.gz	FYPZZTKAWFGWBI-JTQLQIEISA-N	-1	0	258.318	0.677	20	30		CCEDRM
C=CCN(CC(=O)[O-])C(=O)NCC[C@]1(O)CCCOC1	ZINC000909151817	613642761	/nfs/dbraw/zinc/64/27/61/613642761.db2.gz	ZKSWLPXEZGWSMJ-CYBMUJFWSA-N	-1	0	286.328	0.200	20	30		CCEDRM
C=CCN(CC(=O)[O-])C(=O)[C@@H](O)c1cccc(OC)c1	ZINC000909515543	613643158	/nfs/dbraw/zinc/64/31/58/613643158.db2.gz	XRXKIVFOHJUBFD-ZDUSSCGKSA-N	-1	0	279.292	0.828	20	30		CCEDRM
C=CCN(CC(=O)[O-])C(=O)c1cn(CC2(C)COC2)nn1	ZINC000909516624	613643839	/nfs/dbraw/zinc/64/38/39/613643839.db2.gz	KVKHUIPSWGGDKP-UHFFFAOYSA-N	-1	0	294.311	0.027	20	30		CCEDRM
C=CCN(CC(=O)[O-])C(=O)[C@H]1CCc2nccn2C1	ZINC000909514390	613643880	/nfs/dbraw/zinc/64/38/80/613643880.db2.gz	GIZKNWCMPHBNLW-JTQLQIEISA-N	-1	0	263.297	0.545	20	30		CCEDRM
CC#CCS(=O)(=O)[N-]C(=O)CCOC1CCOCC1	ZINC000810772842	613645796	/nfs/dbraw/zinc/64/57/96/613645796.db2.gz	HGJWAZYMXJIVPC-UHFFFAOYSA-N	-1	0	289.353	0.041	20	30		CCEDRM
CC#CCS(=O)(=O)[N-]C(=O)CC1(OC)CCC1	ZINC000810775581	613645862	/nfs/dbraw/zinc/64/58/62/613645862.db2.gz	LKJAQOIYQWXLEN-UHFFFAOYSA-N	-1	0	259.327	0.415	20	30		CCEDRM
CC#CCS(=O)(=O)[N-]C(=O)CCc1ccc(C#N)cc1	ZINC000810772093	613645880	/nfs/dbraw/zinc/64/58/80/613645880.db2.gz	UABKQFOZVOTLBP-UHFFFAOYSA-N	-1	0	290.344	0.960	20	30		CCEDRM
CC#CCS(=O)(=O)[N-]C(=O)CCOCC1CC1	ZINC000810775606	613645885	/nfs/dbraw/zinc/64/58/85/613645885.db2.gz	MQOXAEITJKLEFY-UHFFFAOYSA-N	-1	0	259.327	0.272	20	30		CCEDRM
CC#CCS(=O)(=O)[N-]C(=O)[C@H]1C[C@@]1(C)Br	ZINC000860720996	613646933	/nfs/dbraw/zinc/64/69/33/613646933.db2.gz	UOQXOCRALSNZSY-VXNVDRBHSA-N	-1	0	294.170	0.629	20	30		CCEDRM
CC#CCS(=O)(=O)[N-]C(=O)c1cc([N+](=O)[O-])cn1C	ZINC000810772786	613647611	/nfs/dbraw/zinc/64/76/11/613647611.db2.gz	FMQRUWRQKIOANJ-UHFFFAOYSA-N	-1	0	285.281	0.016	20	30		CCEDRM
CC#CCS(=O)(=O)[N-]C(=O)c1cncc(F)c1	ZINC000810774963	613647996	/nfs/dbraw/zinc/64/79/96/613647996.db2.gz	RLIKMRGYEXGTCI-UHFFFAOYSA-N	-1	0	256.258	0.304	20	30		CCEDRM
CC#CCS(=O)(=O)[N-]C(=O)c1cncnc1CC	ZINC000810771679	613648001	/nfs/dbraw/zinc/64/80/01/613648001.db2.gz	MRBNHRKFUNCTMB-UHFFFAOYSA-N	-1	0	267.310	0.122	20	30		CCEDRM
C=CCNC(=O)[C@@H](C)OC(=O)[C@@H](NC(=O)[O-])C(C)C	ZINC000823506662	613853576	/nfs/dbraw/zinc/85/35/76/613853576.db2.gz	JTKOSIBNFKQPIY-BDAKNGLRSA-N	-1	0	272.301	0.513	20	30		CCEDRM
C=CCNC(=O)[C@@H](C)OC(=O)C[C@@H]1CCCN1C(=O)[O-]	ZINC000823506320	613853727	/nfs/dbraw/zinc/85/37/27/613853727.db2.gz	GIKXKNYMSLUDGT-ZJUUUORDSA-N	-1	0	284.312	0.753	20	30		CCEDRM
C=CCNC(=O)[C@@H](C)OC(=O)[C@H](NC(=O)[O-])C(C)C	ZINC000825687429	613853854	/nfs/dbraw/zinc/85/38/54/613853854.db2.gz	JTKOSIBNFKQPIY-RKDXNWHRSA-N	-1	0	272.301	0.513	20	30		CCEDRM
C=CCNC(=O)C(C#N)=C([O-])c1ccnc(-n2cccn2)c1	ZINC000124044682	613854854	/nfs/dbraw/zinc/85/48/54/613854854.db2.gz	ZJHVRGANSVXTPZ-GFCCVEGCSA-N	-1	0	295.302	0.892	20	30		CCEDRM
C=CCOCC(=O)NCC1(CC(=O)[O-])CCOCC1	ZINC000910120962	613879342	/nfs/dbraw/zinc/87/93/42/613879342.db2.gz	KYQRJWMCDUPKPN-UHFFFAOYSA-N	-1	0	271.313	0.577	20	30		CCEDRM
C=CCOCCNC(=O)N1CCN(C(=O)[O-])CC1	ZINC000833375628	613880819	/nfs/dbraw/zinc/88/08/19/613880819.db2.gz	GYSBOGHKOIMFGB-UHFFFAOYSA-N	-1	0	257.290	0.194	20	30		CCEDRM
C=CCOC[C@@H](NC(=O)Cc1ccc(CC)cn1)C(=O)[O-]	ZINC000909771723	613881711	/nfs/dbraw/zinc/88/17/11/613881711.db2.gz	PIGSIUOCDXGZAK-CYBMUJFWSA-N	-1	0	292.335	0.959	20	30		CCEDRM
C=CCOC[C@@H](NC(=O)[C@@H](C)Cc1cnn(C)c1)C(=O)[O-]	ZINC000909770903	613881812	/nfs/dbraw/zinc/88/18/12/613881812.db2.gz	MKOBKRZZNQUQSR-CMPLNLGQSA-N	-1	0	295.339	0.371	20	30		CCEDRM
C=CCOC[C@@H](NC(=O)[C@H](C)c1ccncc1)C(=O)[O-]	ZINC000909771505	613881819	/nfs/dbraw/zinc/88/18/19/613881819.db2.gz	NQYWDMXTZXJNQU-ZYHUDNBSSA-N	-1	0	278.308	0.957	20	30		CCEDRM
C=CCOC[C@H](NC(=O)Cc1ccoc1)C(=O)[O-]	ZINC000909772520	613882299	/nfs/dbraw/zinc/88/22/99/613882299.db2.gz	RFDSURLQHRNMNS-JTQLQIEISA-N	-1	0	253.254	0.594	20	30		CCEDRM
C=CCOC[C@H](NC(=O)N[C@H]1CCS[C@@H]1C)C(=O)[O-]	ZINC000909247504	613882448	/nfs/dbraw/zinc/88/24/48/613882448.db2.gz	JUANSVQODIMONC-UTLUCORTSA-N	-1	0	288.369	0.835	20	30		CCEDRM
C=CCOC[C@H](NC(=O)[C@H](CC)SC)C(=O)[O-]	ZINC000909765184	613882516	/nfs/dbraw/zinc/88/25/16/613882516.db2.gz	ACXOWLLNOXIPLF-IUCAKERBSA-N	-1	0	261.343	0.900	20	30		CCEDRM
C=CCOC[C@H](NC(=O)[C@@H]1C[C@H]1c1cncn1C)C(=O)[O-]	ZINC000909771586	613882534	/nfs/dbraw/zinc/88/25/34/613882534.db2.gz	OPVLYASNOAQDQV-MXWKQRLJSA-N	-1	0	293.323	0.296	20	30		CCEDRM
C=CCOC[C@H](NC(=O)[C@H](O)C1CCCCC1)C(=O)[O-]	ZINC000909769500	613882597	/nfs/dbraw/zinc/88/25/97/613882597.db2.gz	CTDOFKIYLCDWBF-NWDGAFQWSA-N	-1	0	285.340	0.700	20	30		CCEDRM
C=CCOC[C@H](NC(=O)c1csc2cncn21)C(=O)[O-]	ZINC000909772975	613882729	/nfs/dbraw/zinc/88/27/29/613882729.db2.gz	ZDALKSMNOINHKP-QMMMGPOBSA-N	-1	0	295.320	0.781	20	30		CCEDRM
C=CCO[N-]C(=O)CN(C)C(=O)[C@H](C)n1cccn1	ZINC000837044506	613883152	/nfs/dbraw/zinc/88/31/52/613883152.db2.gz	ODCGKHXTHHWUCG-JTQLQIEISA-N	-1	0	266.301	0.136	20	30		CCEDRM
C=CCO[N-]C(=O)[C@@H]1CN(C(=O)OC(C)(C)C)CCO1	ZINC000837048371	613884426	/nfs/dbraw/zinc/88/44/26/613884426.db2.gz	SGPIJPWBOXJCDS-JTQLQIEISA-N	-1	0	286.328	0.856	20	30		CCEDRM
C=CCS(=O)(=O)[N-]C(=O)[C@@H]1C[C@H]1C1CCOCC1	ZINC000870258087	613886191	/nfs/dbraw/zinc/88/61/91/613886191.db2.gz	GOVHWKQKMWVBKD-WDEREUQCSA-N	-1	0	273.354	0.681	20	30		CCEDRM
CC(C)NC(=O)C(C#N)=C([O-])c1cc(C(N)=O)cs1	ZINC000920111854	613934057	/nfs/dbraw/zinc/93/40/57/613934057.db2.gz	RBNZZWRTEAZLJN-MRVPVSSYSA-N	-1	0	279.321	0.694	20	30		CCEDRM
CC(C)(C)OC(=O)Cn1cccc1C=NNCC(=O)[O-]	ZINC000841640254	613970439	/nfs/dbraw/zinc/97/04/39/613970439.db2.gz	IFMMWBPPCOIONN-UHFFFAOYSA-N	-1	0	281.312	0.838	20	30		CCEDRM
CC(C)(C)[C@@H]1CC(N=NC2=NC(=O)C(=O)N2)CS1	ZINC000814889867	614025926	/nfs/dbraw/zinc/02/59/26/614025926.db2.gz	NTUQMOAOTZNRKS-ZETCQYMHSA-N	-1	0	268.342	0.496	20	30		CCEDRM
CC(C)[C@@H](CO)ONC(=O)c1ccc(C#N)c([O-])c1	ZINC000836900119	614105229	/nfs/dbraw/zinc/10/52/29/614105229.db2.gz	ROPOHZQMMQGIFJ-GFCCVEGCSA-N	-1	0	264.281	0.942	20	30		CCEDRM
CC(C)COCCC(=O)N1CCN(C(=O)[O-])C[C@H]1C#N	ZINC000824277476	614162211	/nfs/dbraw/zinc/16/22/11/614162211.db2.gz	WQEXODXDINUOAL-LLVKDONJSA-N	-1	0	283.328	0.763	20	30		CCEDRM
CC(C)C[C@@H](CNC(=O)[O-])NC(=O)N1CCO[C@@H](C#N)C1	ZINC000824188618	614189747	/nfs/dbraw/zinc/18/97/47/614189747.db2.gz	CYBPOCCCMLMSMA-QWRGUYRKSA-N	-1	0	298.343	0.603	20	30		CCEDRM
CC(C)Cn1[n-]c(CC(=O)N(C)CCC#N)cc1=O	ZINC000930592664	614235184	/nfs/dbraw/zinc/23/51/84/614235184.db2.gz	BXEHOGMEDULFRJ-UHFFFAOYSA-N	-1	0	264.329	0.747	20	30		CCEDRM
CC(C)Cn1nccc1C(=O)[N-]S(=O)(=O)CCC#N	ZINC000842794087	614244119	/nfs/dbraw/zinc/24/41/19/614244119.db2.gz	QKXDOPJXZYZLSP-UHFFFAOYSA-N	-1	0	284.341	0.512	20	30		CCEDRM
CC(C)(C#N)C(=O)N1CCC([C@@H](O)C(=O)[O-])CC1	ZINC000833408410	614284406	/nfs/dbraw/zinc/28/44/06/614284406.db2.gz	SHOKQKLUQDMJJO-SECBINFHSA-N	-1	0	254.286	0.220	20	30		CCEDRM
CC(C)(C#N)CNC(=O)C(=O)Nc1ccc(C(=O)[O-])cc1	ZINC000833406547	614285703	/nfs/dbraw/zinc/28/57/03/614285703.db2.gz	AGDZLIPOJNZOFX-UHFFFAOYSA-N	-1	0	289.291	0.989	20	30		CCEDRM
CC(C)[C@](C)(C#N)NC(=O)[C@@H](C)N(C)CC(=O)[O-]	ZINC000819883364	614286528	/nfs/dbraw/zinc/28/65/28/614286528.db2.gz	SQHUYDBEDWQPFM-SKDRFNHKSA-N	-1	0	255.318	0.446	20	30		CCEDRM
CC(C)(C)C(=O)Nc1ccncc1C=NNCCC(=O)[O-]	ZINC000819901854	614338830	/nfs/dbraw/zinc/33/88/30/614338830.db2.gz	YHJIWCHQQOXKLF-UHFFFAOYSA-N	-1	0	292.339	0.886	20	30		CCEDRM
CCCCOCC(=O)[N-]S(=O)(=O)c1cncc(C#N)c1	ZINC000813981772	614445954	/nfs/dbraw/zinc/44/59/54/614445954.db2.gz	XBMXIXZEMHAPFP-UHFFFAOYSA-N	-1	0	297.336	0.575	20	30		CCEDRM
CC1(C)CN(CC#N)C[C@@H]1NC(=O)c1cccc2n[nH]nc21	ZINC000974617491	614607306	/nfs/dbraw/zinc/60/73/06/614607306.db2.gz	ACQCYSZCSHZSJG-LBPRGKRZSA-N	-1	0	298.350	0.922	20	30		CCEDRM
CC1(C)C[C@@H](S(=O)(=O)[N-]C(=O)CCCC#N)CO1	ZINC000861138391	614749880	/nfs/dbraw/zinc/74/98/80/614749880.db2.gz	GDUKZBSXILCNFM-SECBINFHSA-N	-1	0	274.342	0.694	20	30		CCEDRM
CCCSCC(=O)[N-]S(=O)(=O)CCC#N	ZINC000821582642	614969875	/nfs/dbraw/zinc/96/98/75/614969875.db2.gz	SYYAXMCGUJRJGD-UHFFFAOYSA-N	-1	0	250.345	0.489	20	30		CCEDRM
CCN(CCC#N)C(=O)CN(C[C@H]1CCCO1)C(=O)[O-]	ZINC000827110986	615021397	/nfs/dbraw/zinc/02/13/97/615021397.db2.gz	JIGHHHGKJXGABL-LLVKDONJSA-N	-1	0	283.328	0.908	20	30		CCEDRM
CCN(C[C@H](C)C#N)C(=O)CN1CCCC[C@@H]1C(=O)[O-]	ZINC000820332750	615064526	/nfs/dbraw/zinc/06/45/26/615064526.db2.gz	HTKKYKOJXCXHQO-VXGBXAGGSA-N	-1	0	281.356	0.934	20	30		CCEDRM
CCOC(=O)c1cccc(C=NNCC(=O)[O-])n1	ZINC000863117605	615183246	/nfs/dbraw/zinc/18/32/46/615183246.db2.gz	XZPOEKOFNKSGSX-UHFFFAOYSA-N	-1	0	251.242	0.266	20	30		CCEDRM
CCOC(=O)CS(=O)(=O)[N-]C(=O)c1cccc(C#N)c1	ZINC000838849402	615201301	/nfs/dbraw/zinc/20/13/01/615201301.db2.gz	UORGRMHKELFPGQ-UHFFFAOYSA-N	-1	0	296.304	0.181	20	30		CCEDRM
CCOC1(C(=O)[N-]S(=O)(=O)CCC#N)CCC1	ZINC000851015234	615206388	/nfs/dbraw/zinc/20/63/88/615206388.db2.gz	AREDAHXXDLRYNF-UHFFFAOYSA-N	-1	0	260.315	0.305	20	30		CCEDRM
CCOC(=O)C[C@H](C)NC(=O)[C@](C)(C#N)CC(=O)[O-]	ZINC000820364351	615211715	/nfs/dbraw/zinc/21/17/15/615211715.db2.gz	CRKITNBGZDXVFX-UFBFGSQYSA-N	-1	0	270.285	0.449	20	30		CCEDRM
CCOCCOC1CN(C(=O)[C@@](C)(C#N)CC(=O)[O-])C1	ZINC000820378168	615266280	/nfs/dbraw/zinc/26/62/80/615266280.db2.gz	VQPCZKHEVNIBCO-CYBMUJFWSA-N	-1	0	284.312	0.255	20	30		CCEDRM
CCO[N-]C(=O)CNC(=O)c1ccc(C=NOC)cc1	ZINC000846497809	615371676	/nfs/dbraw/zinc/37/16/76/615371676.db2.gz	OSXRHQDYGQELHL-UHFFFAOYSA-N	-1	0	279.296	0.464	20	30		CCEDRM
CCNC(=O)CN(C)[C@@H](C(=O)[O-])c1cccc(C#N)c1	ZINC000829790348	615466503	/nfs/dbraw/zinc/46/65/03/615466503.db2.gz	QSSOZIURPDASLH-CYBMUJFWSA-N	-1	0	275.308	0.752	20	30		CCEDRM
CC[C@@H](NN=Cc1ccc(S(N)(=O)=O)s1)C(=O)[O-]	ZINC000844597421	615536377	/nfs/dbraw/zinc/53/63/77/615536377.db2.gz	IDYWKGLGGUDSOK-SSDOTTSWSA-N	-1	0	291.354	0.182	20	30		CCEDRM
CCc1ccc(C#CC(=O)NCc2n[nH]c(=O)[n-]2)cc1	ZINC000815745784	615660429	/nfs/dbraw/zinc/66/04/29/615660429.db2.gz	NAXFPPBGGAZZRD-UHFFFAOYSA-N	-1	0	270.292	0.741	20	30		CCEDRM
CCn1nc(C)c(CN[C@H]2CCCN(O)C2=O)n1	ZINC000895159112	615666033	/nfs/dbraw/zinc/66/60/33/615666033.db2.gz	SORMONZHPHWNDD-VIFPVBQESA-N	-1	0	253.306	0.076	20	30		CCEDRM
CC[C@H](C)NC(=O)COC(=O)[C@@](C)(C#N)CC(=O)[O-]	ZINC000820266297	615675460	/nfs/dbraw/zinc/67/54/60/615675460.db2.gz	FBAHOPAYASGKNL-QPUJVOFHSA-N	-1	0	270.285	0.449	20	30		CCEDRM
CC[C@H](NC(=O)[O-])C(=O)OCC(=O)N(C)C(C)(C)C#N	ZINC000827539550	615805458	/nfs/dbraw/zinc/80/54/58/615805458.db2.gz	WFKPGYZIFSSDAP-QMMMGPOBSA-N	-1	0	285.300	0.336	20	30		CCEDRM
CCc1nnc(C)cc1C(=O)N[C@H]1CCCN(O)C1=O	ZINC000848136117	615808526	/nfs/dbraw/zinc/80/85/26/615808526.db2.gz	SHYYOAKIVHFVEK-NSHDSACASA-N	-1	0	278.312	0.457	20	30		CCEDRM
CCc1noc2ncc(C(=O)N[C@H]3CCN(O)C3=O)cc12	ZINC000820173491	615853662	/nfs/dbraw/zinc/85/36/62/615853662.db2.gz	BBZSINAENKBYIY-JTQLQIEISA-N	-1	0	290.279	0.505	20	30		CCEDRM
CC[C@H]1CN(C(=O)[C@@](C)(C#N)CC(=O)[O-])CCO1	ZINC000820297265	615902364	/nfs/dbraw/zinc/90/23/64/615902364.db2.gz	QYIKSIKHTRZOCC-JOYOIKCWSA-N	-1	0	254.286	0.628	20	30		CCEDRM
CCn1cc(C=CC([O-])=C2C(=O)C=C(C)OC2=O)nn1	ZINC000899336158	615930035	/nfs/dbraw/zinc/93/00/35/615930035.db2.gz	PHVNRFUISJGKDC-ZYOFXKKJSA-N	-1	0	275.264	0.526	20	30		CCEDRM
CN(CC#N)C(=O)[C@H]1CC12CCN(C(=O)[O-])CC2	ZINC000833869838	616039799	/nfs/dbraw/zinc/03/97/99/616039799.db2.gz	GBZJJWDPAPZGBF-SECBINFHSA-N	-1	0	251.286	0.748	20	30		CCEDRM
CN(Cc1ccco1)C(=O)CN(CC#N)CC(=O)[O-]	ZINC000830860226	616083021	/nfs/dbraw/zinc/08/30/21/616083021.db2.gz	OUXJWJWZVWBPDQ-UHFFFAOYSA-N	-1	0	265.269	0.148	20	30		CCEDRM
CN(Cc1cccs1)C(=O)CN(CC#N)CC(=O)[O-]	ZINC000830860737	616083578	/nfs/dbraw/zinc/08/35/78/616083578.db2.gz	WBQSYTXQSUYDNE-UHFFFAOYSA-N	-1	0	281.337	0.617	20	30		CCEDRM
COC(C)(C)CN(C)C(=O)[C@@](C)(C#N)CC(=O)[O-]	ZINC000820697089	616294017	/nfs/dbraw/zinc/29/40/17/616294017.db2.gz	RKGSNJFNGJKZEB-GFCCVEGCSA-N	-1	0	256.302	0.874	20	30		CCEDRM
COCC(C)=CC(=O)C(C#N)=C([O-])c1nccn1C	ZINC000845491832	616372095	/nfs/dbraw/zinc/37/20/95/616372095.db2.gz	RDHZJSHSKSFROZ-ZKXNXJMVSA-N	-1	0	261.281	0.904	20	30		CCEDRM
COCCNC(=O)C(C#N)=C([O-])c1ncc(C#N)cc1C	ZINC000815906782	616492351	/nfs/dbraw/zinc/49/23/51/616492351.db2.gz	JITBZPQQHKYTMR-NSHDSACASA-N	-1	0	286.291	0.347	20	30		CCEDRM
CN1C[C@H](O)C[C@]1(C)C(=O)Nc1cc(C#N)ccc1[O-]	ZINC000901224864	616502640	/nfs/dbraw/zinc/50/26/40/616502640.db2.gz	DZBZKKMGAMSYFF-QMTHXVAHSA-N	-1	0	275.308	0.657	20	30		CCEDRM
COC1CCN(C(=O)[C@](C)(C#N)CC(=O)[O-])CC1	ZINC000820703438	616522664	/nfs/dbraw/zinc/52/26/64/616522664.db2.gz	ZHXHVXRTHSGGGU-LBPRGKRZSA-N	-1	0	254.286	0.628	20	30		CCEDRM
COC(=O)CCCNC(=O)[C@@](C)(C#N)CC(=O)[O-]	ZINC000820660330	616532866	/nfs/dbraw/zinc/53/28/66/616532866.db2.gz	CSGKPAZYFUSYTC-LLVKDONJSA-N	-1	0	256.258	0.060	20	30		CCEDRM
COC(=O)CN(CC#N)C(=O)c1ccc(C(=O)[O-])c(F)c1	ZINC000831164678	616588027	/nfs/dbraw/zinc/58/80/27/616588027.db2.gz	RMIQGMWWXRRZGC-UHFFFAOYSA-N	-1	0	294.238	0.663	20	30		CCEDRM
CO[C@@H]1CC[C@H](C(=O)[N-]S(=O)(=O)CC(C)(C)C#N)C1	ZINC000850930146	616699191	/nfs/dbraw/zinc/69/91/91/616699191.db2.gz	QMBSCHDZPLQTBT-VHSXEESVSA-N	-1	0	288.369	0.797	20	30		CCEDRM
COCC1(C(=O)[N-]S(=O)(=O)CC2(C#N)CC2)CC1	ZINC000793196637	616749998	/nfs/dbraw/zinc/74/99/98/616749998.db2.gz	UITVXDOISNFIAC-UHFFFAOYSA-N	-1	0	272.326	0.163	20	30		CCEDRM
COC[C@@H](C#N)OC(=O)[C@H]1CCCN(C(=O)[O-])C1	ZINC000833882034	616774620	/nfs/dbraw/zinc/77/46/20/616774620.db2.gz	IKSFLCRJNANGCM-DTWKUNHWSA-N	-1	0	256.258	0.458	20	30		CCEDRM
CNC(=O)C(C#N)=C([O-])c1ccc(C(=O)NC(C)C)cc1	ZINC000130136984	616776988	/nfs/dbraw/zinc/77/69/88/616776988.db2.gz	CRNZCVXWERWKNF-LBPRGKRZSA-N	-1	0	287.319	0.893	20	30		CCEDRM
CNC(=O)C(C#N)=C([O-])c1ccc([N+](=O)[O-])n1C	ZINC000917004874	616777300	/nfs/dbraw/zinc/77/73/00/616777300.db2.gz	DHBOTAJIJIRMRR-LURJTMIESA-N	-1	0	250.214	0.002	20	30		CCEDRM
CNC(=O)C(C#N)=C([O-])c1cccc(NC(N)=O)c1	ZINC000917002656	616839788	/nfs/dbraw/zinc/83/97/88/616839788.db2.gz	MTLBYNRFUGXGJO-SECBINFHSA-N	-1	0	260.253	0.246	20	30		CCEDRM
COCCCCC(=O)[N-]S(=O)(=O)c1cncc(C#N)c1	ZINC000813980604	616858214	/nfs/dbraw/zinc/85/82/14/616858214.db2.gz	IXZWCHRLSOSAGC-UHFFFAOYSA-N	-1	0	297.336	0.575	20	30		CCEDRM
COC[C@@H](NC(=O)NCC#Cc1ccccc1)C(=O)[O-]	ZINC000908769393	616885356	/nfs/dbraw/zinc/88/53/56/616885356.db2.gz	XQSQZZDGACPDQR-GFCCVEGCSA-N	-1	0	276.292	0.437	20	30		CCEDRM
COCc1ccc(C(=O)N2CCN(C(=O)[O-])C[C@H]2C#N)o1	ZINC000829040119	616888690	/nfs/dbraw/zinc/88/86/90/616888690.db2.gz	IRWNEHXSPDGNQZ-SECBINFHSA-N	-1	0	293.279	0.754	20	30		CCEDRM
COCc1cccc(C(=O)N[C@H]2CCCN(O)C2=O)c1	ZINC000816755597	616902424	/nfs/dbraw/zinc/90/24/24/616902424.db2.gz	DSNRMZRMYPGSIV-LBPRGKRZSA-N	-1	0	278.308	0.943	20	30		CCEDRM
COC[C@@H]1CCN(C(=O)[C@](C)(C#N)CC(=O)[O-])C1	ZINC000820714895	616952228	/nfs/dbraw/zinc/95/22/28/616952228.db2.gz	GERHQVYMEFXXPS-SKDRFNHKSA-N	-1	0	254.286	0.486	20	30		CCEDRM
COCCN(CC(=O)N1CCSC[C@H]1C#N)C(=O)[O-]	ZINC000833885064	616978121	/nfs/dbraw/zinc/97/81/21/616978121.db2.gz	ZQNYEGVLROOAFM-SECBINFHSA-N	-1	0	287.341	0.080	20	30		CCEDRM
COC[C@H](C#N)OC(=O)CC1CCN(C(=O)[O-])CC1	ZINC000833882030	617046671	/nfs/dbraw/zinc/04/66/71/617046671.db2.gz	IIHDMSRTFNFOKS-JTQLQIEISA-N	-1	0	270.285	0.848	20	30		CCEDRM
COC[C@H](C#N)OC(=O)CN(C[C@H]1CCCO1)C(=O)[O-]	ZINC000833882888	617046852	/nfs/dbraw/zinc/04/68/52/617046852.db2.gz	QHXKKTXROKFABJ-ZJUUUORDSA-N	-1	0	286.284	0.227	20	30		CCEDRM
CO[C@H](CC(=O)[N-]S(=O)(=O)CCC#N)C(F)(F)F	ZINC000845561597	617081123	/nfs/dbraw/zinc/08/11/23/617081123.db2.gz	VHNXTGIFSDACEL-ZCFIWIBFSA-N	-1	0	288.247	0.313	20	30		CCEDRM
CON=Cc1ccc(C(=O)N[C@H]2CCN(O)C2=O)cc1	ZINC000820174649	617106731	/nfs/dbraw/zinc/10/67/31/617106731.db2.gz	LLADURAHGBDYPZ-NSHDSACASA-N	-1	0	277.280	0.387	20	30		CCEDRM
CO[C@@H](C)CCC(=O)[N-]S(=O)(=O)c1cncc(C#N)c1	ZINC000813979613	617148065	/nfs/dbraw/zinc/14/80/65/617148065.db2.gz	VRGUDWWFQRQKRM-VIFPVBQESA-N	-1	0	297.336	0.573	20	30		CCEDRM
CO[C@@H](C)CS(=O)(=O)[N-]C(=O)c1cc(C#N)oc1C	ZINC000797963873	617159464	/nfs/dbraw/zinc/15/94/64/617159464.db2.gz	XLWMVLNHBOCYJB-ZETCQYMHSA-N	-1	0	286.309	0.554	20	30		CCEDRM
CCOCCS(=O)(=O)[N-]C(=O)c1cn(C)nc1CC	ZINC000092700381	625486826	/nfs/dbraw/zinc/48/68/26/625486826.db2.gz	QMPGLUAWGHSDKH-UHFFFAOYSA-N	-1	0	289.357	0.653	20	30		CCEDRM
COCCCNC(=O)C(C#N)=C([O-])c1ccn(C)c1C	ZINC000194883501	625603352	/nfs/dbraw/zinc/60/33/52/625603352.db2.gz	NJJJUNXMJGDCSY-LBPRGKRZSA-N	-1	0	277.324	0.809	20	30		CCEDRM
Cc1ccc(C(=O)[O-])cc1S(=O)(=O)NCCC#N	ZINC000049538230	624644741	/nfs/dbraw/zinc/64/47/41/624644741.db2.gz	KJLAEWDNDQPMGQ-UHFFFAOYSA-N	-1	0	268.294	0.885	20	30		CCEDRM
C=CCN(CC(=O)[O-])C(=O)c1ccc(NC(N)=O)cc1	ZINC000092462525	624851207	/nfs/dbraw/zinc/85/12/07/624851207.db2.gz	KJRRALBICNNXTA-UHFFFAOYSA-N	-1	0	277.280	0.890	20	30		CCEDRM
C[C@@H](O[C@@H](C)C(=O)[O-])C(=O)N[C@@H](CC#N)C(F)(F)F	ZINC000905130338	634805557	/nfs/dbraw/zinc/80/55/57/634805557.db2.gz	SYEYJFGRAYDXFH-VQVTYTSYSA-N	-1	0	282.218	0.825	20	30		CCEDRM
Cc1c(C(=O)[O-])oc2c1C(=NNC1=NCCN1)CCC2	ZINC000841658713	630840763	/nfs/dbraw/zinc/84/07/63/630840763.db2.gz	IFKZOANZYWZOTG-UHFFFAOYSA-N	-1	0	276.296	0.875	20	30		CCEDRM
Cc1n[nH]c(C(=O)N[C@@]23CCC[C@@H]2N(CC#N)CC3)c1[O-]	ZINC000990264354	633499048	/nfs/dbraw/zinc/49/90/48/633499048.db2.gz	GIHUPBWUYHFQMI-IINYFYTJSA-N	-1	0	289.339	0.674	20	30		CCEDRM
COc1ccc(CNC(=O)[C@@H]2C[C@@H]2C(=O)[O-])cc1C#N	ZINC000899774799	633894800	/nfs/dbraw/zinc/89/48/00/633894800.db2.gz	IOFBOZBGNRVSEO-MNOVXSKESA-N	-1	0	274.276	0.904	20	30		CCEDRM
C[C@@H](CO)N[NH+]=Cc1cc(C(=O)[O-])ccc1N(C)C	ZINC000901195496	634205310	/nfs/dbraw/zinc/20/53/10/634205310.db2.gz	TWPTWPKNARXXCJ-VIFPVBQESA-N	-1	0	265.313	0.755	20	30		CCEDRM
Cn1cc(C(=O)[O-])cc1C=NN[C@@H]1CCC[C@H]1O	ZINC000901252532	634215523	/nfs/dbraw/zinc/21/55/23/634215523.db2.gz	IATYCEOTAKSJEO-GHMZBOCLSA-N	-1	0	251.286	0.560	20	30		CCEDRM
N#Cc1sccc1C(=O)[N-]N1CCCNC1=O	ZINC000907240125	635095382	/nfs/dbraw/zinc/09/53/82/635095382.db2.gz	ANMYEEAISHTMOS-UHFFFAOYSA-N	-1	0	250.283	0.680	20	30		CCEDRM
C#CCCCC(=O)N[C@@H](CCSC)c1nnn[n-]1	ZINC000912862211	636690750	/nfs/dbraw/zinc/69/07/50/636690750.db2.gz	LJWNFZGJYZCJDQ-VIFPVBQESA-N	-1	0	267.358	0.914	20	30		CCEDRM
C=CCN(CC(=O)[O-])C(=O)N[C@@H](C)[C@@H]1CCOC1	ZINC000166614374	636933933	/nfs/dbraw/zinc/93/39/33/636933933.db2.gz	TYTSMYCHUKLWRB-VHSXEESVSA-N	-1	0	256.302	0.694	20	30		CCEDRM
C=CCCOCCNC(=O)NC1(C(=O)[O-])CCC1	ZINC000231836304	637230356	/nfs/dbraw/zinc/23/03/56/637230356.db2.gz	CMUCJWFJSKKAIM-UHFFFAOYSA-N	-1	0	256.302	0.886	20	30		CCEDRM
COCCNC(=O)C(C#N)=C([O-])c1cccc(F)c1	ZINC000193411985	637736074	/nfs/dbraw/zinc/73/60/74/637736074.db2.gz	JAMZWMDVEVJZHA-LLVKDONJSA-N	-1	0	264.256	0.911	20	30		CCEDRM
CCCc1cc(C([O-])=C(C#N)C(=O)NCCCOC)n[nH]1	ZINC000916870128	637930508	/nfs/dbraw/zinc/93/05/08/637930508.db2.gz	FZHZQIXRKDZIKM-NSHDSACASA-N	-1	0	292.339	0.837	20	30		CCEDRM
C[C@@H](C(=O)[N-]O[C@H]1CCCCO1)n1cnc(C#N)n1	ZINC000798941817	640533756	/nfs/dbraw/zinc/53/37/56/640533756.db2.gz	JDFAVQBYKKYRJV-WPRPVWTQSA-N	-1	0	265.273	0.285	20	30		CCEDRM
Cc1nn2c([n-]nc2SCCO[C@@H](C)C#N)nc1=O	ZINC000801657676	640663870	/nfs/dbraw/zinc/66/38/70/640663870.db2.gz	OMBUOMYRJMGBFB-LURJTMIESA-N	-1	0	280.313	0.142	20	30		CCEDRM
COc1nc(C(=O)OCCO[C@@H](C)C#N)cc(=O)[n-]1	ZINC000801857978	640670146	/nfs/dbraw/zinc/67/01/46/640670146.db2.gz	NEULDNZXNQHEON-ZETCQYMHSA-N	-1	0	267.241	0.276	20	30		CCEDRM
O=C([O-])COc1ccc(CN=Nc2nc[nH]n2)cc1	ZINC000807998489	640844829	/nfs/dbraw/zinc/84/48/29/640844829.db2.gz	HJUMQXZJFWNUDX-UHFFFAOYSA-N	-1	0	261.241	0.714	20	30		CCEDRM
N#CC1(CS(=O)(=O)[N-]C(=O)c2ocnc2C2CC2)CC1	ZINC000808998442	640883969	/nfs/dbraw/zinc/88/39/69/640883969.db2.gz	IRUBKCKJZHZAIQ-UHFFFAOYSA-N	-1	0	295.320	0.915	20	30		CCEDRM
N#CC(C(=O)NC1CCCC1)=C([O-])c1cc2n(n1)CCO2	ZINC000810537442	640937973	/nfs/dbraw/zinc/93/79/73/640937973.db2.gz	SXMVTDAEGXRYIO-SNVBAGLBSA-N	-1	0	288.307	0.657	20	30		CCEDRM
Cn1ccnc1C(=O)C(C#N)=C([O-])c1cccc(C#N)n1	ZINC000810636288	640941603	/nfs/dbraw/zinc/94/16/03/640941603.db2.gz	PGADCHSJDFYELE-JTQLQIEISA-N	-1	0	279.259	0.892	20	30		CCEDRM
N#Cc1cncc(S(=O)(=O)[N-]C(=O)c2cccnc2)c1	ZINC000813983139	641052173	/nfs/dbraw/zinc/05/21/73/641052173.db2.gz	JJARCBPZOUBCCU-UHFFFAOYSA-N	-1	0	288.288	0.467	20	30		CCEDRM
O=C1[N-]C(=O)C(=NNCc2ccc(Cl)cc2)C(=O)N1	ZINC000814223713	641060433	/nfs/dbraw/zinc/06/04/33/641060433.db2.gz	MMSUPBVVNBWXEQ-UHFFFAOYSA-N	-1	0	280.671	0.152	20	30		CCEDRM
O=c1[n-][nH]c(=O)n1N=Cc1cnn(-c2ccc(F)cc2)c1	ZINC000814231220	641060858	/nfs/dbraw/zinc/06/08/58/641060858.db2.gz	QPYDZIDJESXAIE-UHFFFAOYSA-N	-1	0	288.242	0.896	20	30		CCEDRM
O=c1[n-][nH]c(=O)n1N=CCCc1ccc2c(c1)OCCO2	ZINC000814232224	641062616	/nfs/dbraw/zinc/06/26/16/641062616.db2.gz	NYTUWOCTOUGRRG-UHFFFAOYSA-N	-1	0	290.279	0.927	20	30		CCEDRM
C[C@@H]1C(N=NC2=NC(=O)C(=O)N2)CC[C@H](C(=O)[O-])C1(C)C	ZINC000814890654	641080641	/nfs/dbraw/zinc/08/06/41/641080641.db2.gz	ZUCKUESMERDTTJ-RNFRBKRXSA-N	-1	0	294.311	0.101	20	30		CCEDRM
O=C([O-])CNN=Cc1cnnn1Cc1ccccc1	ZINC000814956922	641083249	/nfs/dbraw/zinc/08/32/49/641083249.db2.gz	PRRPBJVRBOVSFB-UHFFFAOYSA-N	-1	0	259.269	0.335	20	30		CCEDRM
O=C([O-])CNN=Cc1ccc(Cl)cc1-n1cncn1	ZINC000814959110	641084453	/nfs/dbraw/zinc/08/44/53/641084453.db2.gz	NNACGPFAXUGNQD-UHFFFAOYSA-N	-1	0	279.687	0.929	20	30		CCEDRM
O=C(N[C@H]1CCN(O)C1=O)c1cccc(F)c1[O-]	ZINC000820120452	641458359	/nfs/dbraw/zinc/45/83/59/641458359.db2.gz	OINMXLQSNYORCI-QMMMGPOBSA-N	-1	0	254.217	0.251	20	30		CCEDRM
C[C@]1(C(=O)N[C@H]2CCN(O)C2=O)CCc2ccccc21	ZINC000820131533	641464599	/nfs/dbraw/zinc/46/45/99/641464599.db2.gz	JGJCMKUMZMKNPM-WFASDCNBSA-N	-1	0	274.320	0.997	20	30		CCEDRM
O=C(N[C@H]1CCCN(O)C1=O)c1cc(F)cc2[nH]cnc21	ZINC000820482468	641509245	/nfs/dbraw/zinc/50/92/45/641509245.db2.gz	KQECYLSOLVZTPC-VIFPVBQESA-N	-1	0	292.270	0.812	20	30		CCEDRM
N#CCCS(=O)(=O)[N-]C(=O)CC[C@@H]1CCOC1	ZINC000821583650	641611680	/nfs/dbraw/zinc/61/16/80/641611680.db2.gz	CJWBKKNEHYXKET-SECBINFHSA-N	-1	0	260.315	0.163	20	30		CCEDRM
N#Cc1cccc(NC(=O)C(=O)[N-]OC2CCCC2)n1	ZINC000832316594	642471046	/nfs/dbraw/zinc/47/10/46/642471046.db2.gz	UDFZHTBZMYIOOL-UHFFFAOYSA-N	-1	0	274.280	0.882	20	30		CCEDRM
NC(=O)CON=C1CCC[C@@H]1[C@@H]1COCCN1C(=O)[O-]	ZINC000833984904	642544854	/nfs/dbraw/zinc/54/48/54/642544854.db2.gz	KRRFNNYAEUIDLK-WPRPVWTQSA-N	-1	0	285.300	0.023	20	30		CCEDRM
N#CCCS(=O)(=O)[N-]C(=O)[C@@H]1CCCCS1	ZINC000835409523	642660511	/nfs/dbraw/zinc/66/05/11/642660511.db2.gz	ZGTGHFSOAWUILY-QMMMGPOBSA-N	-1	0	262.356	0.632	20	30		CCEDRM
N#CC1(CS(=O)(=O)NC[C@@H](F)C(=O)[O-])CCCC1	ZINC000837293141	642734668	/nfs/dbraw/zinc/73/46/68/642734668.db2.gz	DLOURYIUGFTAFJ-MRVPVSSYSA-N	-1	0	278.305	0.412	20	30		CCEDRM
C#CC[C@@H]1CCCN(C(=O)c2cnc([O-])n(C)c2=O)C1	ZINC000843998470	643139586	/nfs/dbraw/zinc/13/95/86/643139586.db2.gz	DFRUWUMODDOODO-SNVBAGLBSA-N	-1	0	275.308	0.361	20	30		CCEDRM
C[C@H](CCNS(=O)(=O)N(C)C[C@H](C)C#N)C(=O)[O-]	ZINC000844784334	643248115	/nfs/dbraw/zinc/24/81/15/643248115.db2.gz	FIPBBFGIKAEPSC-RKDXNWHRSA-N	-1	0	277.346	0.023	20	30		CCEDRM
N#Cc1ccc([O-])c(NC(=O)[C@H]2CCc3nnnn3CC2)c1	ZINC000845888163	643359270	/nfs/dbraw/zinc/35/92/70/643359270.db2.gz	SZMLFGVDZMEHFP-JTQLQIEISA-N	-1	0	298.306	0.842	20	30		CCEDRM
Cn1ncc(C(=O)[O-])c1C=NO[C@@H]1CCCCO1	ZINC000848406829	643632960	/nfs/dbraw/zinc/63/29/60/643632960.db2.gz	IRQMXHBJZGDEBO-SNVBAGLBSA-N	-1	0	253.258	0.995	20	30		CCEDRM
C[C@H](CC#N)C(=O)[N-]S(=O)(=O)c1ncccc1F	ZINC000850982237	643824830	/nfs/dbraw/zinc/82/48/30/643824830.db2.gz	JNASVLILEWBAPF-SSDOTTSWSA-N	-1	0	271.273	0.575	20	30		CCEDRM
C[C@H](CC#N)C(=O)[N-]S(=O)(=O)c1cncc(C#N)c1	ZINC000851041839	643828805	/nfs/dbraw/zinc/82/88/05/643828805.db2.gz	WRXCPOYMOPACIE-MRVPVSSYSA-N	-1	0	278.293	0.308	20	30		CCEDRM
CO[C@H](C=Nn1c(=O)c(C)n[n-]c1=S)C1CC1	ZINC000853266786	644095087	/nfs/dbraw/zinc/09/50/87/644095087.db2.gz	RRSOGPDHLSNHGK-MRVPVSSYSA-N	-1	0	254.315	0.494	20	30		CCEDRM
N#CC(C(=O)NC1CC1)=C([O-])c1cccc(-n2cncn2)c1	ZINC000115904505	644595499	/nfs/dbraw/zinc/59/54/99/644595499.db2.gz	CXXIZMCDTSTHQT-ZDUSSCGKSA-N	-1	0	295.302	0.868	20	30		CCEDRM
N#CC(C(=O)NC1CC1)=C([O-])c1ccnc2ccnn21	ZINC000860471447	644803255	/nfs/dbraw/zinc/80/32/55/644803255.db2.gz	JXQYJQZGSIWOFH-VIFPVBQESA-N	-1	0	269.264	0.330	20	30		CCEDRM
C[C@H]1C[C@H](C(=O)[O-])CCC1=Nn1ccc(=O)[nH]c1=O	ZINC000863182348	645067901	/nfs/dbraw/zinc/06/79/01/645067901.db2.gz	ITGHVDPOMOGYPZ-JGVFFNPUSA-N	-1	0	265.269	0.674	20	30		CCEDRM
N#CCCCS(=O)(=O)N1CC2CC1(CCC(=O)[O-])C2	ZINC000864454320	645228412	/nfs/dbraw/zinc/22/84/12/645228412.db2.gz	KJTINSGJLJQDBB-UHFFFAOYSA-N	-1	0	286.353	0.949	20	30		CCEDRM
C[C@@]1([N-]C(=O)C(F)(F)F)CCN(c2cc(C#N)cnn2)C1	ZINC000866283696	645512805	/nfs/dbraw/zinc/51/28/05/645512805.db2.gz	ZPIXIYKUOISTEA-LLVKDONJSA-N	-1	0	299.256	0.996	20	30		CCEDRM
Cc1ccc(S(=O)(=O)N2CC[C@H]2C(=O)[O-])c(C#N)c1	ZINC000871769984	646179142	/nfs/dbraw/zinc/17/91/42/646179142.db2.gz	QPMDFNKIXIJDQS-JTQLQIEISA-N	-1	0	280.305	0.714	20	30		CCEDRM
N#CCC1(CS(=O)(=O)N2CC[C@H]3[C@@H](C(=O)[O-])[C@H]3C2)CC1	ZINC000871776867	646181424	/nfs/dbraw/zinc/18/14/24/646181424.db2.gz	OEWNKDKMRFAJBJ-OUAUKWLOSA-N	-1	0	298.364	0.663	20	30		CCEDRM
CSC1(C(=O)[N-]S(=O)(=O)CCCC#N)CC1	ZINC000191251965	649469990	/nfs/dbraw/zinc/46/99/90/649469990.db2.gz	OYKIOTFFVVQARN-UHFFFAOYSA-N	-1	0	262.356	0.632	20	30		CCEDRM
C#Cc1cccc(NC(=O)CN(C)C(=O)c2n[nH]c(=O)[n-]2)c1	ZINC000080374579	649543620	/nfs/dbraw/zinc/54/36/20/649543620.db2.gz	AOHMFJPOLGVFPT-UHFFFAOYSA-N	-1	0	299.290	0.202	20	30		CCEDRM
C#CCN(CC(=O)[O-])C(=O)[C@@H](C)N(C)CC(F)(F)F	ZINC001588397440	958057087	/nfs/dbraw/zinc/05/70/87/958057087.db2.gz	IIKKKPXVCSOMFW-MRVPVSSYSA-N	-1	0	280.246	0.415	20	30		CCEDRM
C#CC[C@H](NC(=O)c1cc(Br)c[nH]1)C(=O)[O-]	ZINC000127381762	958611718	/nfs/dbraw/zinc/61/17/18/958611718.db2.gz	ZHXCBWXSXVDDQN-ZETCQYMHSA-N	-1	0	285.097	0.984	20	30		CCEDRM
N#Cc1ccc([O-])c(CN2CC(=O)N(C3CC3)C(=O)C2)c1	ZINC001232673798	805967760	/nfs/dbraw/zinc/96/77/60/805967760.db2.gz	NSTVBQTXEQFRPM-UHFFFAOYSA-N	-1	0	285.303	0.597	20	30		CCEDRM
CS(=O)(=O)C1CN(Cc2ccc(C#N)cc2O)C1	ZINC001233385984	806052241	/nfs/dbraw/zinc/05/22/41/806052241.db2.gz	AELNMFIYVINSPH-UHFFFAOYSA-N	-1	0	266.322	0.493	20	30		CCEDRM
C=C[C@H](C)Oc1c(C(=O)OC)n[n-]c1C(=O)OC	ZINC001234186948	806197637	/nfs/dbraw/zinc/19/76/37/806197637.db2.gz	MIUBXUABWWHOOR-LURJTMIESA-N	-1	0	254.242	0.936	20	30		CCEDRM
C=C(C)C(=O)NCCCNc1cncc(C(=O)[O-])n1	ZINC001167665574	793232338	/nfs/dbraw/zinc/23/23/38/793232338.db2.gz	NXDZDNLVGYRFOF-UHFFFAOYSA-N	-1	0	264.285	0.669	20	30		CCEDRM
CCCCCCC[C@H](C)Oc1c([O-])c(=O)c(=O)c(=O)c1=O	ZINC001234372038	806231593	/nfs/dbraw/zinc/23/15/93/806231593.db2.gz	AMGKECYLDBDDQJ-VIFPVBQESA-N	-1	0	296.319	0.836	20	30		CCEDRM
CC[C@@]1(C)CCN(c2[n-]c(=O)n(C)c(=O)c2C#N)C1	ZINC001120909999	798960213	/nfs/dbraw/zinc/96/02/13/798960213.db2.gz	JMFIKMXHKAPNMS-ZDUSSCGKSA-N	-1	0	262.313	0.572	20	30		CCEDRM
Cn1c(=O)[n-]c(NCC(F)(F)C(F)F)c(C#N)c1=O	ZINC001120949308	798967893	/nfs/dbraw/zinc/96/78/93/798967893.db2.gz	NWACRAKHMSPWQL-UHFFFAOYSA-N	-1	0	280.181	0.258	20	30		CCEDRM
COCCCNC(=O)C(C#N)=C([O-])c1cnn2c1CCC2	ZINC001122441784	799234896	/nfs/dbraw/zinc/23/48/96/799234896.db2.gz	HBBYOFJOAOXZNX-JTQLQIEISA-N	-1	0	290.323	0.304	20	30		CCEDRM
CC(C)NC(=O)C(C#N)=C([O-])c1cc(Cl)n(C)n1	ZINC001122547358	799260057	/nfs/dbraw/zinc/26/00/57/799260057.db2.gz	QQWPXFXWZPYAEZ-SSDOTTSWSA-N	-1	0	268.704	0.921	20	30		CCEDRM
CC(C)(C#N)CC(=O)NCCc1n[n-]c(=S)o1	ZINC001138524798	799737569	/nfs/dbraw/zinc/73/75/69/799737569.db2.gz	JAPSOZYCZZKZMY-UHFFFAOYSA-N	-1	0	254.315	0.957	20	30		CCEDRM
CC[C@@](C)(C#N)NC(=O)CCn1cc(C#N)c(=O)[n-]c1=O	ZINC001143322550	800231236	/nfs/dbraw/zinc/23/12/36/800231236.db2.gz	QYCBCKZLLXETOX-ZDUSSCGKSA-N	-1	0	289.295	0.019	20	30		CCEDRM
C#C[C@H](C)NC(=O)c1sc(C(=O)[O-])c2c1OCCO2	ZINC001152713005	800550098	/nfs/dbraw/zinc/55/00/98/800550098.db2.gz	CYXQPDLNNUDPPW-LURJTMIESA-N	-1	0	281.289	0.969	20	30		CCEDRM
C#CCCCC(=O)NC[C@@H](C)N(CC)Cc1n[nH]c(=O)[n-]1	ZINC001153025443	800582590	/nfs/dbraw/zinc/58/25/90/800582590.db2.gz	XEDDLKRVSJMLGA-LLVKDONJSA-N	-1	0	293.371	0.640	20	30		CCEDRM
Cn1[nH]cnc1=NC(=O)c1cc(=O)c2cc(C#N)ccc2[n-]1	ZINC001154551980	800798453	/nfs/dbraw/zinc/79/84/53/800798453.db2.gz	AXNOJQPBQFAKJU-UHFFFAOYSA-N	-1	0	294.274	0.202	20	30		CCEDRM
N#Cc1cnc(Cl)nc1N[C@H]1SC(=O)[N-]C1=O	ZINC001155836849	801062256	/nfs/dbraw/zinc/06/22/56/801062256.db2.gz	HSACQEVHMOXISG-LURJTMIESA-N	-1	0	269.673	0.145	20	30		CCEDRM
Cc1cnc(N[C@H]2SC(=O)[N-]C2=O)c(/C=N/O)c1	ZINC001155843129	801064402	/nfs/dbraw/zinc/06/44/02/801064402.db2.gz	ALQWVEWPLKOZIM-JIGMTCFASA-N	-1	0	266.282	0.919	20	30		CCEDRM
N#Cc1ccc2[nH]c(C(=O)NCc3n[nH]c(=O)[n-]3)cc2c1	ZINC001156461771	801170181	/nfs/dbraw/zinc/17/01/81/801170181.db2.gz	ZJTVEXVJCREYAV-UHFFFAOYSA-N	-1	0	282.263	0.793	20	30		CCEDRM
N#Cc1cc(Cl)nnc1[N-]c1nccnc1CN	ZINC001160246191	801923104	/nfs/dbraw/zinc/92/31/04/801923104.db2.gz	ONUSMNJVUNVFAM-UHFFFAOYSA-N	-1	0	261.676	0.994	20	30		CCEDRM
N#Cc1c(Cl)ncnc1[N-]c1nccnc1CN	ZINC001160245507	801923450	/nfs/dbraw/zinc/92/34/50/801923450.db2.gz	CYDJRDPCUZGPTD-UHFFFAOYSA-N	-1	0	261.676	0.994	20	30		CCEDRM
C=CCS(=O)(=O)[N-][C@H](C(=O)OCC)c1cnccn1	ZINC001259934779	808810010	/nfs/dbraw/zinc/81/00/10/808810010.db2.gz	CZSJKOZKZFEIDK-JTQLQIEISA-N	-1	0	285.325	0.186	20	30		CCEDRM
C#CCCN1CCC[C@@H]([N-]S(=O)(=O)C(F)F)C1=O	ZINC001259962026	808825147	/nfs/dbraw/zinc/82/51/47/808825147.db2.gz	BJHCEUPSEHYEKP-MRVPVSSYSA-N	-1	0	280.296	0.143	20	30		CCEDRM
C#CCCN1CCC[C@H]([N-]S(=O)(=O)C(F)F)C1=O	ZINC001259962027	808825386	/nfs/dbraw/zinc/82/53/86/808825386.db2.gz	BJHCEUPSEHYEKP-QMMMGPOBSA-N	-1	0	280.296	0.143	20	30		CCEDRM
COCCS(=O)(=O)[N-]c1snc(C)c1C#N	ZINC001259965190	808827962	/nfs/dbraw/zinc/82/79/62/808827962.db2.gz	BCGGAYVAVRNWJT-UHFFFAOYSA-N	-1	0	261.328	0.711	20	30		CCEDRM
CC1(C(=O)Nc2nc(C#N)c(C#N)[n-]2)CCOCC1	ZINC001163737644	802601535	/nfs/dbraw/zinc/60/15/35/802601535.db2.gz	MEYQXUXQPFSDPC-UHFFFAOYSA-N	-1	0	259.269	0.908	20	30		CCEDRM
C=CCCCC(=O)NCC1(NCc2n[nH]c(=O)[n-]2)CC1	ZINC001269480572	813385710	/nfs/dbraw/zinc/38/57/10/813385710.db2.gz	ORGDCYIKIWAVSX-UHFFFAOYSA-N	-1	0	279.344	0.605	20	30		CCEDRM
C=CCC[C@H](NC(=O)NCCCN1CCOCC1)C(=O)[O-]	ZINC000316538888	804707801	/nfs/dbraw/zinc/70/78/01/804707801.db2.gz	XEVQCEBNMPQMSL-LBPRGKRZSA-N	-1	0	299.371	0.427	20	30		CCEDRM
C=CCC[C@H](NC(=O)/C=C\c1cnn(C)c1)C(=O)[O-]	ZINC000316559141	804710547	/nfs/dbraw/zinc/71/05/47/804710547.db2.gz	ZIMWYKZFZCGKTE-ZADCQDASSA-N	-1	0	263.297	0.969	20	30		CCEDRM
C=CCOC[C@H](CS(=O)(=O)[O-])OCc1cnccn1	ZINC001222475045	804903532	/nfs/dbraw/zinc/90/35/32/804903532.db2.gz	MNWYWQGDTQKIKL-LLVKDONJSA-N	-1	0	288.325	0.452	20	30		CCEDRM
C=CCCO[C@@H](CN1CCOCC1)CS(=O)(=O)[O-]	ZINC001224342992	805027737	/nfs/dbraw/zinc/02/77/37/805027737.db2.gz	WPZXCFPOXSQZMB-NSHDSACASA-N	-1	0	279.358	0.168	20	30		CCEDRM
C[C@H](CC(C)(C)S)Oc1c([O-])c(=O)c(=O)c1=O	ZINC001225831526	805168272	/nfs/dbraw/zinc/16/82/72/805168272.db2.gz	WUJLYEMDTNFODI-RXMQYKEDSA-N	-1	0	258.295	0.214	20	30		CCEDRM
CCOC(=O)c1cnc(=O)[nH]c1O[C@H]1C=CC(=O)C1	ZINC001225901930	805175421	/nfs/dbraw/zinc/17/54/21/805175421.db2.gz	YQBSDRRESLPBQH-QMMMGPOBSA-N	-1	0	264.237	0.635	20	30		CCEDRM
O=C([O-])CC[C@@H](O)C(=O)Oc1cccc(/C=N/O)c1	ZINC001226114098	805193765	/nfs/dbraw/zinc/19/37/65/805193765.db2.gz	FNPAYOQLUNDMNE-SRMXYGTFSA-N	-1	0	267.237	0.626	20	30		CCEDRM
COC(=O)[C@H]1C[C@H](Oc2nccc(/C=N/O)n2)C1	ZINC001226254280	805210637	/nfs/dbraw/zinc/21/06/37/805210637.db2.gz	UFRNJVRVDJBPNF-VANMUKLJSA-N	-1	0	251.242	0.615	20	30		CCEDRM
CC1(C)COC(=O)[C@H]1Oc1nccc(/C=N/O)n1	ZINC001226252883	805210816	/nfs/dbraw/zinc/21/08/16/805210816.db2.gz	BEECXVSTZBJPFD-BWJGRMQRSA-N	-1	0	251.242	0.615	20	30		CCEDRM
N#Cc1ccc(C2CC2)nc1OC(=O)[C@H](O)CC(=O)[O-]	ZINC001226263049	805213302	/nfs/dbraw/zinc/21/33/02/805213302.db2.gz	ZDHUXHNQCZEUTG-SNVBAGLBSA-N	-1	0	276.248	0.572	20	30		CCEDRM
C=CCOC[C@H](CS(=O)(=O)[O-])Oc1ccnn1C	ZINC001226398555	805226383	/nfs/dbraw/zinc/22/63/83/805226383.db2.gz	RDANCRKJXLHUQH-SECBINFHSA-N	-1	0	276.314	0.258	20	30		CCEDRM
COC(=O)c1[n-]c(=O)nc(O[C@@H]2C=CC(=O)C2)c1[N+](=O)[O-]	ZINC001226650355	805261250	/nfs/dbraw/zinc/26/12/50/805261250.db2.gz	XJIZHFRBWYOCPY-ZCFIWIBFSA-N	-1	0	295.207	0.153	20	30		CCEDRM
C=CCOC[C@H](CS(=O)(=O)[O-])Oc1cncc(C#N)c1	ZINC001226685503	805264162	/nfs/dbraw/zinc/26/41/62/805264162.db2.gz	BYXOVEGAXXGDRX-GFCCVEGCSA-N	-1	0	298.320	0.791	20	30		CCEDRM
C#C[C@H](Oc1nc2ncnc-2c(S)[n-]1)C(=O)OCC	ZINC001226787519	805282051	/nfs/dbraw/zinc/28/20/51/805282051.db2.gz	ZZQHNTKKZIGYEP-LURJTMIESA-N	-1	0	278.293	0.585	20	30		CCEDRM
C[C@@H](CS)Oc1[n-]c(=O)nc2c(=O)[n-]c(=O)[nH]c12	ZINC001226886490	805291476	/nfs/dbraw/zinc/29/14/76/805291476.db2.gz	NOSJDQWIQGRKRX-VKHMYHEASA-N	-1	0	270.270	0.234	20	30		CCEDRM
CCOC(=O)C[C@@H](CC#N)Oc1cc(=O)[n-]c(OC)n1	ZINC001227000979	805306659	/nfs/dbraw/zinc/30/66/59/805306659.db2.gz	WBPSTNAUYZQVCS-MRVPVSSYSA-N	-1	0	281.268	0.805	20	30		CCEDRM
COc1nc(OC2=C(C)O[C@H](C)C2=O)cc(=O)[n-]1	ZINC001227001106	805306929	/nfs/dbraw/zinc/30/69/29/805306929.db2.gz	XSSIDFDLKVSLDY-RXMQYKEDSA-N	-1	0	252.226	0.789	20	30		CCEDRM
CN1[C@@H]2C[C@@H](Oc3[n-]c(=O)nc4[nH]ccc43)C[C@H]1[C@@H]1O[C@@H]12	ZINC001227270029	805339172	/nfs/dbraw/zinc/33/91/72/805339172.db2.gz	AIFQIXDFEBTQTF-FRQULTQSSA-N	-1	0	288.307	0.655	20	30		CCEDRM
C=C[C@H](Oc1[n-]c(=O)nc2cccnc21)C(=O)OC	ZINC001228005725	805407220	/nfs/dbraw/zinc/40/72/20/805407220.db2.gz	UFILITHQVKFTTE-QMMMGPOBSA-N	-1	0	261.237	0.837	20	30		CCEDRM
C#CC(C#C)Oc1ccc(-n2nn[n-]c2=S)cc1	ZINC001228441447	805446494	/nfs/dbraw/zinc/44/64/94/805446494.db2.gz	OLNAQEMCBFMXTC-UHFFFAOYSA-N	-1	0	256.290	0.965	20	30		CCEDRM
C#C[C@H](Oc1[n-]c(=O)nc2ncn(C)c21)C(=O)OCC	ZINC001228673051	805468221	/nfs/dbraw/zinc/46/82/21/805468221.db2.gz	DXAGLPMEDKQFPB-ZETCQYMHSA-N	-1	0	276.252	0.013	20	30		CCEDRM
Cn1cnc2nc(=O)[n-]c(O[C@@H]3CCN(CC#N)C3)c21	ZINC001228675808	805468242	/nfs/dbraw/zinc/46/82/42/805468242.db2.gz	YFHGHLHTQCOMQG-MRVPVSSYSA-N	-1	0	274.284	0.046	20	30		CCEDRM
N#Cc1cccc([N+](=O)[O-])c1OC(=O)[C@H](O)CC(=O)[O-]	ZINC001228768053	805477379	/nfs/dbraw/zinc/47/73/79/805477379.db2.gz	GFVHHOWVEJXXDB-MRVPVSSYSA-N	-1	0	280.192	0.207	20	30		CCEDRM
C=CC(C)(C)C(=O)N1CC(n2cc(C#N)c(=O)[n-]c2=O)C1	ZINC000530271964	807516374	/nfs/dbraw/zinc/51/63/74/807516374.db2.gz	MWYWEBZQWQSZBN-UHFFFAOYSA-N	-1	0	288.307	0.416	20	30		CCEDRM
Cc1ncccc1C=Nn1c(=O)c(C)n[n-]c1=S	ZINC001251619998	807689016	/nfs/dbraw/zinc/68/90/16/807689016.db2.gz	QEUKALHLUBEKDV-UHFFFAOYSA-N	-1	0	261.310	0.821	20	30		CCEDRM
Cn1ncc(C#N)c1[N-]S(=O)(=O)C(F)(F)F	ZINC001252281827	807801705	/nfs/dbraw/zinc/80/17/05/807801705.db2.gz	IGGAIKDLEBOLNK-UHFFFAOYSA-N	-1	0	254.193	0.553	20	30		CCEDRM
C=CCOC[C@@H](O)CNc1cc(=O)[n-]c(OC)n1	ZINC001252453869	807869912	/nfs/dbraw/zinc/86/99/12/807869912.db2.gz	IVBXNVVAJICWOY-QMMMGPOBSA-N	-1	0	255.274	0.166	20	30		CCEDRM
C=CCOC[C@@H](CS(=O)(=O)[O-])OC[C@H]1CCO1	ZINC001224473163	815201513	/nfs/dbraw/zinc/20/15/13/815201513.db2.gz	IASSSMBZESNBKN-ZJUUUORDSA-N	-1	0	266.315	0.251	20	30		CCEDRM
Cn1cc([N-]S(=O)(=O)c2ccc(C#N)cc2)c(C#N)n1	ZINC001258045810	808651508	/nfs/dbraw/zinc/65/15/08/808651508.db2.gz	WYSSAHPMMYLKNY-UHFFFAOYSA-N	-1	0	287.304	0.964	20	30		CCEDRM
COC(=O)CS(=O)(=O)[N-]c1ncc(C#N)cc1Cl	ZINC001259017839	808718630	/nfs/dbraw/zinc/71/86/30/808718630.db2.gz	FWEBOYAFUXTGMN-UHFFFAOYSA-N	-1	0	289.700	0.521	20	30		CCEDRM
N#Cc1cccc(S(=O)(=O)[N-]c2ncnn3cccc23)c1	ZINC001259118019	808732753	/nfs/dbraw/zinc/73/27/53/808732753.db2.gz	WBKKZFAFCICLAI-UHFFFAOYSA-N	-1	0	299.315	0.824	20	30		CCEDRM
Cn1ncc([N-]S(=O)(=O)c2ccc(F)c(C#N)c2)n1	ZINC001259412646	808757507	/nfs/dbraw/zinc/75/75/07/808757507.db2.gz	OAKFBDASMGLLRL-UHFFFAOYSA-N	-1	0	281.272	0.627	20	30		CCEDRM
CCn1cc(S(=O)(=O)[N-]c2oncc2C#N)cn1	ZINC001259832468	808782507	/nfs/dbraw/zinc/78/25/07/808782507.db2.gz	FEKLEZCGHFLKRJ-UHFFFAOYSA-N	-1	0	267.270	0.563	20	30		CCEDRM
C=CCC[N-]S(=O)(=O)c1nc2nc(Cl)ccn2n1	ZINC001260179800	808854950	/nfs/dbraw/zinc/85/49/50/808854950.db2.gz	VSVHYKOKIZAVMT-UHFFFAOYSA-N	-1	0	287.732	0.632	20	30		CCEDRM
Cc1nc(S(=O)(=O)[N-]c2ccnc(C#N)c2)cn1C	ZINC001260542047	808862996	/nfs/dbraw/zinc/86/29/96/808862996.db2.gz	LLJBUKXHJXGZDY-UHFFFAOYSA-N	-1	0	277.309	0.218	20	30		CCEDRM
C[C@H]1C[C@H](C(=O)[O-])CCC1=NN1CC(=O)N(C)C1=O	ZINC001261236780	808935445	/nfs/dbraw/zinc/93/54/45/808935445.db2.gz	WJWXGWYSOXCGKX-JGVFFNPUSA-N	-1	0	267.285	0.757	20	30		CCEDRM
C=CC[C@H](NC(=O)C[C@@H](C)n1ccnc1)C(=O)[O-]	ZINC001261514896	809005391	/nfs/dbraw/zinc/00/53/91/809005391.db2.gz	QSIWGICVRXYQMM-ZJUUUORDSA-N	-1	0	251.286	0.980	20	30		CCEDRM
C#C[C@H]1CC[C@H](NC(=O)C(=O)[N-]OCC(C)C)CC1	ZINC001262004344	809149646	/nfs/dbraw/zinc/14/96/46/809149646.db2.gz	TXQAVOZIBKBBRT-HAQNSBGRSA-N	-1	0	266.341	0.998	20	30		CCEDRM
C#CCCCC(=O)N(CCN1CCOCC1)CC(=O)[O-]	ZINC001262180469	809225912	/nfs/dbraw/zinc/22/59/12/809225912.db2.gz	CFWXHWCTBVGJSU-UHFFFAOYSA-N	-1	0	282.340	0.035	20	30		CCEDRM
CC(C)NC(=O)C(C#N)=C([O-])c1ccoc1CC(N)=O	ZINC001263293797	809504250	/nfs/dbraw/zinc/50/42/50/809504250.db2.gz	ASAFGGPEGZYGQP-SECBINFHSA-N	-1	0	277.280	0.154	20	30		CCEDRM
N#Cc1ccc(NC(=N)SCCS(=O)(=O)[O-])nn1	ZINC001168087841	814605072	/nfs/dbraw/zinc/60/50/72/814605072.db2.gz	HPGNSGQKPMCZOT-UHFFFAOYSA-N	-1	0	287.326	0.316	20	30		CCEDRM
Cc1n[nH]c(C(=O)N[C@H]2CCCCN(CC#N)C2)c1[O-]	ZINC001034170191	819107447	/nfs/dbraw/zinc/10/74/47/819107447.db2.gz	RDUOTHAJAJNHQC-JTQLQIEISA-N	-1	0	277.328	0.532	20	30		CCEDRM
Cc1[nH]nc(C(=O)N2CC[C@H](NCC#N)[C@@H](C)C2)c1[O-]	ZINC001035996686	819668129	/nfs/dbraw/zinc/66/81/29/819668129.db2.gz	ZWZRGYOKOCWYEG-WPRPVWTQSA-N	-1	0	277.328	0.388	20	30		CCEDRM
N#CC1(CS(=O)(=O)[N-]C(=O)[C@@H]2CCSC2)CC1	ZINC000793203172	837407189	/nfs/dbraw/zinc/40/71/89/837407189.db2.gz	AIGUPEQIXJVQNW-MRVPVSSYSA-N	-1	0	274.367	0.489	20	30		CCEDRM
C[C@@]1(CO)CCN(C(=O)CCC(=O)C2=CC=C[CH]2)C[C@@H]1O	ZINC001184244658	844187912	/nfs/dbraw/zinc/18/79/12/844187912.db2.gz	KRSKUIAPROXZFV-HOCLYGCPSA-N	-1	0	292.355	0.628	20	30		CCEDRM
C=C[C@@H](CC)CC(=O)N1CCN(Cc2n[nH]c(=O)[n-]2)CC1	ZINC001113246760	837065886	/nfs/dbraw/zinc/06/58/86/837065886.db2.gz	UEEDNTFZJLJVDR-NSHDSACASA-N	-1	0	293.371	0.757	20	30		CCEDRM
N#C[C@@H]([N-]c1cc(F)cc(F)c1[N+](=O)[O-])C(N)=O	ZINC001170535380	837984997	/nfs/dbraw/zinc/98/49/97/837984997.db2.gz	HDKNROMZJTXXBP-SSDOTTSWSA-N	-1	0	256.168	0.662	20	30		CCEDRM
N#C[C@@H](Nc1ccc(Br)cc1C(=O)[O-])C(N)=O	ZINC001170539124	837997713	/nfs/dbraw/zinc/99/77/13/837997713.db2.gz	MTEDPGJFCJLBCT-MRVPVSSYSA-N	-1	0	298.096	0.937	20	30		CCEDRM
C[C@@H](CC#N)N(C)S(=O)(=O)NC1(CC(=O)[O-])CC1	ZINC001592221956	977404041	/nfs/dbraw/zinc/40/40/41/977404041.db2.gz	PJRJMIQNOPGXJQ-QMMMGPOBSA-N	-1	0	275.330	0.062	20	30		CCEDRM
N#C[C@H](NC(=O)C=C([O-])c1ccccc1Cl)C(N)=O	ZINC001185435043	844412813	/nfs/dbraw/zinc/41/28/13/844412813.db2.gz	DXZXYUXJQNBMMI-VIFPVBQESA-N	-1	0	279.683	0.406	20	30		CCEDRM
CC(C)C[C@@H](C#N)NC(=O)CCCc1nnn[n-]1	ZINC001136527825	839650556	/nfs/dbraw/zinc/65/05/56/839650556.db2.gz	KJWLIOBJLOCGAE-VIFPVBQESA-N	-1	0	250.306	0.577	20	30		CCEDRM
N#C[C@@H](NC(=O)c1nc[n-]c(=O)c1Br)C1CC1	ZINC001136696947	839716563	/nfs/dbraw/zinc/71/65/63/839716563.db2.gz	BKFAWZONZBLYHL-ZCFIWIBFSA-N	-1	0	297.112	0.977	20	30		CCEDRM
C=C(C(=O)NCC(=O)CCC(=O)[O-])C(F)(F)F	ZINC001144214974	839978394	/nfs/dbraw/zinc/97/83/94/839978394.db2.gz	DCZQKSDSGNECMG-UHFFFAOYSA-N	-1	0	253.176	0.655	20	30		CCEDRM
CC1(S(=O)(=O)N2CCC(C#CC(=O)[O-])CC2)CC1	ZINC000844814291	839980570	/nfs/dbraw/zinc/98/05/70/839980570.db2.gz	IPOWWLNVKSYBPE-UHFFFAOYSA-N	-1	0	271.338	0.669	20	30		CCEDRM
CC(C)Oc1ccc(C(=O)NCS(=O)(=O)[O-])cc1C#N	ZINC001148777411	840887020	/nfs/dbraw/zinc/88/70/20/840887020.db2.gz	GBLFCOWYLCNIKT-UHFFFAOYSA-N	-1	0	298.320	0.921	20	30		CCEDRM
C=CCCS(=O)(=O)NC[C@H]1[C@@H](C(=O)[O-])C1(F)F	ZINC000715231231	841288469	/nfs/dbraw/zinc/28/84/69/841288469.db2.gz	RHUNGXMUXVLISM-BQBZGAKWSA-N	-1	0	269.269	0.448	20	30		CCEDRM
C=C(C)C(=O)OCCNC(=O)c1ccn(C)c1CC(=O)[O-]	ZINC001177371277	842553129	/nfs/dbraw/zinc/55/31/29/842553129.db2.gz	XOUOGNFNQNXBQX-UHFFFAOYSA-N	-1	0	294.307	0.501	20	30		CCEDRM
N#Cc1ccc(CNC(=O)Cn2nn[n-]c2=S)cc1F	ZINC001177743143	842664696	/nfs/dbraw/zinc/66/46/96/842664696.db2.gz	KOJDFMCQLPAHBV-UHFFFAOYSA-N	-1	0	292.299	0.289	20	30		CCEDRM
C=CCCn1cc(C(=O)N[C@@H](C)c2nn(C)cc2[O-])nn1	ZINC001179925880	843080855	/nfs/dbraw/zinc/08/08/55/843080855.db2.gz	BJYIAPJPESRLIO-VIFPVBQESA-N	-1	0	290.327	0.784	20	30		CCEDRM
CC(C)(C(=O)N(O)C(=N)c1nonc1N)C(F)(F)F	ZINC001180444174	843170515	/nfs/dbraw/zinc/17/05/15/843170515.db2.gz	AGBLSDUFTRTZQY-UHFFFAOYSA-N	-1	0	281.194	0.783	20	30		CCEDRM
Cc1ccc(C(NO)=[NH+]C([O-])=C([O-])C(F)(F)F)nc1	ZINC001183200822	843983802	/nfs/dbraw/zinc/98/38/02/843983802.db2.gz	IPSJZCVTLWFIKV-ZETCQYMHSA-N	-1	0	277.202	0.565	20	30		CCEDRM
COc1ncnc([N-]S(=O)(=O)c2cnoc2C)c1C#N	ZINC001187342937	844714013	/nfs/dbraw/zinc/71/40/13/844714013.db2.gz	XVMMWQLCBYPGGW-UHFFFAOYSA-N	-1	0	295.280	0.454	20	30		CCEDRM
C=C[C@@H]1C[C@@]1(NS(=O)(=O)C1CCC1)C(=O)OCC	ZINC001188160832	844849918	/nfs/dbraw/zinc/84/99/18/844849918.db2.gz	NABVXOKBFNPARF-SKDRFNHKSA-N	-1	0	273.354	0.966	20	30		CCEDRM
N#Cc1ccc(C(=O)n2[n-]c3ccnc(=O)c-3c2N)nc1	ZINC001190600974	845443814	/nfs/dbraw/zinc/44/38/14/845443814.db2.gz	YRDJIBGBTATFKE-UHFFFAOYSA-N	-1	0	280.247	0.214	20	30		CCEDRM
N#Cc1csc(CNS(=O)(=O)c2ncc[n-]2)c1	ZINC001190762478	845475719	/nfs/dbraw/zinc/47/57/19/845475719.db2.gz	IRDFXHYHOCRKPC-UHFFFAOYSA-N	-1	0	268.323	0.821	20	30		CCEDRM
N#Cc1cccc(O)c1[N-]S(=O)(=O)c1ncc[nH]1	ZINC001190730469	845481519	/nfs/dbraw/zinc/48/15/19/845481519.db2.gz	GHHYVQFVFQMNRC-UHFFFAOYSA-N	-1	0	264.266	0.788	20	30		CCEDRM
CC(C)(C#N)NS(=O)(=O)c1ccc(OCC(=O)[O-])cc1	ZINC001192738176	845897760	/nfs/dbraw/zinc/89/77/60/845897760.db2.gz	NNDMPSOBQSLNTH-UHFFFAOYSA-N	-1	0	298.320	0.730	20	30		CCEDRM
C#CC1(NS(=O)(=O)c2ccc(OCC(=O)[O-])cc2)CC1	ZINC001192743094	845899217	/nfs/dbraw/zinc/89/92/17/845899217.db2.gz	CXWCZXDYNHFXPC-UHFFFAOYSA-N	-1	0	295.316	0.594	20	30		CCEDRM
COC(=O)[C@H](CS)NC(=O)c1c(F)ccc(F)c1[O-]	ZINC001192716632	845901406	/nfs/dbraw/zinc/90/14/06/845901406.db2.gz	WAXWXMGJPDNYBJ-ZETCQYMHSA-N	-1	0	291.275	0.872	20	30		CCEDRM
COC(=O)[C@H](CS)NC(=O)c1c([O-])ccc(F)c1F	ZINC001192769788	845905530	/nfs/dbraw/zinc/90/55/30/845905530.db2.gz	NSAKSHJWFRVLJG-LURJTMIESA-N	-1	0	291.275	0.872	20	30		CCEDRM
CCOC(=O)c1nc(C2CC2)oc1[N-]S(=O)(=O)CC#N	ZINC001192942752	845930558	/nfs/dbraw/zinc/93/05/58/845930558.db2.gz	ADILNWZSMWIWLW-UHFFFAOYSA-N	-1	0	299.308	0.994	20	30		CCEDRM
CN1CCN(c2ccncc2[N-]S(=O)(=O)CC#N)CC1	ZINC001192950804	845932585	/nfs/dbraw/zinc/93/25/85/845932585.db2.gz	CQPHCUYPVPFYTM-UHFFFAOYSA-N	-1	0	295.368	0.099	20	30		CCEDRM
N#CCS(=O)(=O)[N-]c1cn(CC2CCC2)cn1	ZINC001192952156	845934489	/nfs/dbraw/zinc/93/44/89/845934489.db2.gz	YMHKNCADOFZETJ-UHFFFAOYSA-N	-1	0	254.315	0.948	20	30		CCEDRM
N#CCS(=O)(=O)NCC(=O)OCc1ccccc1	ZINC001192988132	845946080	/nfs/dbraw/zinc/94/60/80/845946080.db2.gz	QDCYYPUIOPLLHX-UHFFFAOYSA-N	-1	0	268.294	0.173	20	30		CCEDRM
COC(=O)[C@H]([N-]S(=O)(=O)CC#N)c1cccc(F)c1	ZINC001192993753	845947914	/nfs/dbraw/zinc/94/79/14/845947914.db2.gz	FNOCUXQBLVGRKY-SNVBAGLBSA-N	-1	0	286.284	0.483	20	30		CCEDRM
N#Cc1ccncc1C(=O)NCCCC[P@](=O)([O-])O	ZINC001192979230	845961343	/nfs/dbraw/zinc/96/13/43/845961343.db2.gz	ACYDNBNEAHZEKQ-UHFFFAOYSA-N	-1	0	283.224	0.641	20	30		CCEDRM
CCOC(=O)c1cc([N-]S(=O)(=O)[C@H](C)C#N)on1	ZINC001193111851	845980495	/nfs/dbraw/zinc/98/04/95/845980495.db2.gz	MFCPDTCVFLITBY-ZCFIWIBFSA-N	-1	0	273.270	0.505	20	30		CCEDRM
C[C@@H](C#N)S(=O)(=O)[N-]c1nc(C#N)c(C#N)nc1Cl	ZINC001193111788	845981398	/nfs/dbraw/zinc/98/13/98/845981398.db2.gz	LHODVKHQIKUCHG-YFKPBYRVSA-N	-1	0	296.699	0.527	20	30		CCEDRM
CCc1nnc2ccc([N-]S(=O)(=O)[C@H](C)C#N)cn21	ZINC001193111608	845981556	/nfs/dbraw/zinc/98/15/56/845981556.db2.gz	JGCZTAVUDYXRJJ-MRVPVSSYSA-N	-1	0	279.325	0.945	20	30		CCEDRM
C[C@H](C#N)S(=O)(=O)Nc1cccc(S(=O)(=O)[O-])c1	ZINC001193139353	846003361	/nfs/dbraw/zinc/00/33/61/846003361.db2.gz	COIVFQANYAGMSI-SSDOTTSWSA-N	-1	0	290.322	0.587	20	30		CCEDRM
C[C@H](C#N)S(=O)(=O)[N-]c1ccccc1S(C)(=O)=O	ZINC001193147146	846005131	/nfs/dbraw/zinc/00/51/31/846005131.db2.gz	YGIOTNSJMVJCHH-MRVPVSSYSA-N	-1	0	288.350	0.744	20	30		CCEDRM
C[C@H]1COCCN1CCNC(=O)c1ccc([O-])c(C#N)c1	ZINC001193515340	846103239	/nfs/dbraw/zinc/10/32/39/846103239.db2.gz	MRSPMJBATBEAMQ-NSHDSACASA-N	-1	0	289.335	0.714	20	30		CCEDRM
CCN(CCC(N)=O)C(=O)c1cccc(C#N)c1[O-]	ZINC001193643830	846134810	/nfs/dbraw/zinc/13/48/10/846134810.db2.gz	FBLLUBCYONIHBV-UHFFFAOYSA-N	-1	0	261.281	0.601	20	30		CCEDRM
N#Cc1cccc(C(=O)N2CC[C@@H](CO)[C@H](O)C2)c1[O-]	ZINC001193642328	846135749	/nfs/dbraw/zinc/13/57/49/846135749.db2.gz	DVVVNNUYJBHKPT-CMPLNLGQSA-N	-1	0	276.292	0.079	20	30		CCEDRM
Cn1ccnc1S(=O)(=O)[N-]c1ccc(C#N)c(C#N)c1	ZINC001193599905	846136590	/nfs/dbraw/zinc/13/65/90/846136590.db2.gz	KIHJGRUFPATINB-UHFFFAOYSA-N	-1	0	287.304	0.964	20	30		CCEDRM
CN1C[C@H](NC(=O)c2cccc(C#N)c2[O-])CCC1=O	ZINC001193658242	846140179	/nfs/dbraw/zinc/14/01/79/846140179.db2.gz	ZQXPQNMQNJUXOE-SNVBAGLBSA-N	-1	0	273.292	0.614	20	30		CCEDRM
N#Cc1cccc(C(=O)N[C@H](CO)C(F)(F)F)c1[O-]	ZINC001193657863	846140529	/nfs/dbraw/zinc/14/05/29/846140529.db2.gz	JFBCYOPNGOEQHO-MRVPVSSYSA-N	-1	0	274.198	0.917	20	30		CCEDRM
N#Cc1cncc([N-]S(=O)(=O)c2ccccc2N)n1	ZINC001193892707	846176853	/nfs/dbraw/zinc/17/68/53/846176853.db2.gz	FSIJWDXIUDPUMG-UHFFFAOYSA-N	-1	0	275.293	0.731	20	30		CCEDRM
COC(=O)[C@H]1C[C@@H]1CNC(=O)c1ccc(C#N)cc1[O-]	ZINC001195768256	846615500	/nfs/dbraw/zinc/61/55/00/846615500.db2.gz	KWKSOFFOPMWSFK-KOLCDFICSA-N	-1	0	274.276	0.803	20	30		CCEDRM
N#Cc1ccc(C(=O)N2CCNCC(F)(F)C2)c([O-])c1	ZINC001195740253	846620131	/nfs/dbraw/zinc/62/01/31/846620131.db2.gz	BXWIFXIONKKNNW-UHFFFAOYSA-N	-1	0	281.262	0.945	20	30		CCEDRM
Cn1cnc([N-]S(=O)(=O)Cc2cccnc2)c1C#N	ZINC001197430720	846910442	/nfs/dbraw/zinc/91/04/42/846910442.db2.gz	QTJILMUWSCKQBX-UHFFFAOYSA-N	-1	0	277.309	0.629	20	30		CCEDRM
Cn1cnc([N-]S(=O)(=O)Cc2ccccn2)c1C#N	ZINC001197789286	846964832	/nfs/dbraw/zinc/96/48/32/846964832.db2.gz	RUAPTMSPVNWLMM-UHFFFAOYSA-N	-1	0	277.309	0.629	20	30		CCEDRM
Cc1ncc(S(=O)(=O)[N-]c2cccnc2C#N)n1C	ZINC001198354041	847102500	/nfs/dbraw/zinc/10/25/00/847102500.db2.gz	JJLPWNHQIJPIEI-UHFFFAOYSA-N	-1	0	277.309	0.796	20	30		CCEDRM
C=CCC1(O)CCN(C(=O)NCCCC(=O)[O-])CC1	ZINC000717252540	848182374	/nfs/dbraw/zinc/18/23/74/848182374.db2.gz	ZLDMDNFXDAFDDC-UHFFFAOYSA-N	-1	0	270.329	0.964	20	30		CCEDRM
CN1C[C@@H]2CN(C(=O)c3ccc([O-])c(C#N)c3)C[C@H](C1)O2	ZINC001275708361	848796802	/nfs/dbraw/zinc/79/68/02/848796802.db2.gz	TXMZTYXACYQEGW-BETUJISGSA-N	-1	0	287.319	0.419	20	30		CCEDRM
CN1CCO[C@H]2CN(C(=O)c3cccc(C#N)c3[O-])C[C@@H]21	ZINC001275734913	848804236	/nfs/dbraw/zinc/80/42/36/848804236.db2.gz	UFVDNFCKMZJPBR-STQMWFEESA-N	-1	0	287.319	0.419	20	30		CCEDRM
CN(C(=O)c1n[n-]c2ccccc2c1=O)C1CN(CC#N)C1	ZINC001043992146	850979440	/nfs/dbraw/zinc/97/94/40/850979440.db2.gz	LHQXPHLJMUJSNO-UHFFFAOYSA-N	-1	0	297.318	0.615	20	30		CCEDRM
C=CCS(=O)(=O)[N-]c1c(C#N)cnc2ccnn21	ZINC001259922902	851650925	/nfs/dbraw/zinc/65/09/25/851650925.db2.gz	XRVFEDBLYQCWGB-UHFFFAOYSA-N	-1	0	263.282	0.529	20	30		CCEDRM
C[C@@H](CN(C)C(=O)Cc1ccc(C#N)nc1)C(=O)[O-]	ZINC000901646123	851785067	/nfs/dbraw/zinc/78/50/67/851785067.db2.gz	FFDKIDBOIHDMQP-VIFPVBQESA-N	-1	0	261.281	0.675	20	30		CCEDRM
C#CCSCCNC(=O)C1(C(=O)[O-])CCOCC1	ZINC000689356389	852499383	/nfs/dbraw/zinc/49/93/83/852499383.db2.gz	KWQKCKQKPTXXDJ-UHFFFAOYSA-N	-1	0	271.338	0.350	20	30		CCEDRM
CNC(=O)C(C#N)=C([O-])c1cnn(-c2ccccc2)n1	ZINC000133438331	853841096	/nfs/dbraw/zinc/84/10/96/853841096.db2.gz	WNRNZHUBMKWHKI-JTQLQIEISA-N	-1	0	269.264	0.336	20	30		CCEDRM
C#CC[C@@H](NC(=O)[C@@H]1CC(=O)N(C2CCCC2)C1)C(=O)[O-]	ZINC000149570793	853986538	/nfs/dbraw/zinc/98/65/38/853986538.db2.gz	KJXSQPZGYLSFJX-ZYHUDNBSSA-N	-1	0	292.335	0.370	20	30		CCEDRM
C#CC[C@@H](NC(=O)CCNC(=O)C(C)(C)C)C(=O)[O-]	ZINC000149634868	853990232	/nfs/dbraw/zinc/99/02/32/853990232.db2.gz	RHMADVMIBMPUGT-SECBINFHSA-N	-1	0	268.313	0.132	20	30		CCEDRM
C#CC[C@@H](NC(=O)COc1ccccc1OC)C(=O)[O-]	ZINC000149705035	853994747	/nfs/dbraw/zinc/99/47/47/853994747.db2.gz	SJPWCKCBVIHYCB-SNVBAGLBSA-N	-1	0	277.276	0.667	20	30		CCEDRM
N#CCCNC(=O)N=c1ccc(C(F)(F)F)n[n-]1	ZINC000488628759	854514238	/nfs/dbraw/zinc/51/42/38/854514238.db2.gz	KWQOPGKSQIZNCM-UHFFFAOYSA-N	-1	0	259.191	0.952	20	30		CCEDRM
Cc1onc(N)c1S(=O)(=O)[N-]c1cc(C#N)ccc1O	ZINC000798248152	855662617	/nfs/dbraw/zinc/66/26/17/855662617.db2.gz	QITMRNNSJWOVRS-UHFFFAOYSA-N	-1	0	294.292	0.943	20	30		CCEDRM
N#CCCCCS(=O)(=O)N[C@H](C(=O)[O-])[C@@H]1CCOC1	ZINC001116684487	855812836	/nfs/dbraw/zinc/81/28/36/855812836.db2.gz	FDNDFAWKOHBDQX-ZJUUUORDSA-N	-1	0	290.341	0.089	20	30		CCEDRM
C=CC[C@@H](NC(=O)C(C)(C)n1cc([N+](=O)[O-])cn1)C(=O)[O-]	ZINC001116922665	855867963	/nfs/dbraw/zinc/86/79/63/855867963.db2.gz	XLKFEUIAWVOKDI-SECBINFHSA-N	-1	0	296.283	0.672	20	30		CCEDRM
N#CCCCCC(=O)[N-]S(=O)(=O)[C@H]1CCOC1	ZINC001118378944	856280596	/nfs/dbraw/zinc/28/05/96/856280596.db2.gz	JSTHCDJERAQXCX-VIFPVBQESA-N	-1	0	260.315	0.305	20	30		CCEDRM
N#CCCCS(=O)(=O)[N-]C(=O)Cc1ccc(C#N)nc1	ZINC001118912347	856488818	/nfs/dbraw/zinc/48/88/18/856488818.db2.gz	XGXMWHAYKXFANF-UHFFFAOYSA-N	-1	0	292.320	0.246	20	30		CCEDRM
C=CC1(S(=O)(=O)[N-]C(=O)CCc2ccn(C)n2)CC1	ZINC001118994675	856521560	/nfs/dbraw/zinc/52/15/60/856521560.db2.gz	VMLNIMXWNBOIQJ-UHFFFAOYSA-N	-1	0	283.353	0.517	20	30		CCEDRM
C=CC[C@H]1CCCN(C(=O)C(=O)N[C@H]2C[C@@H](C(=O)[O-])C2)C1	ZINC001119399079	856668716	/nfs/dbraw/zinc/66/87/16/856668716.db2.gz	TWRFXLRXFXUYBF-SDDRHHMPSA-N	-1	0	294.351	0.781	20	30		CCEDRM
C=C[C@@H](COC)NC(=O)C(=O)[N-]OCc1ccccc1	ZINC001323527494	912395365	/nfs/dbraw/zinc/39/53/65/912395365.db2.gz	GQINGSUBAJPPSN-LBPRGKRZSA-N	-1	0	278.308	0.552	20	30		CCEDRM
C=CCOC[C@H](NC(=O)[C@@H]1CCC[C@@H]1OC)C(=O)[O-]	ZINC001349931272	891799968	/nfs/dbraw/zinc/79/99/68/891799968.db2.gz	HOXZFKGBEVVVJQ-VWYCJHECSA-N	-1	0	271.313	0.574	20	30		CCEDRM
C#CC[C@@H](NC(=O)c1snnc1C(C)C)C(=O)[O-]	ZINC000149604340	892087587	/nfs/dbraw/zinc/08/75/87/892087587.db2.gz	OIGYYNMJFWDASQ-SSDOTTSWSA-N	-1	0	267.310	0.868	20	30		CCEDRM
CSCCO[N-]C(=O)C(=O)N[C@@H]1CC[C@H](C#N)C1	ZINC001325988439	913679248	/nfs/dbraw/zinc/67/92/48/913679248.db2.gz	BFORGKHKLFVRIM-DTWKUNHWSA-N	-1	0	271.342	0.206	20	30		CCEDRM
CCO[N-]C(=O)CNS(=O)(=O)c1ccc(CC#N)cc1	ZINC001326785671	914167886	/nfs/dbraw/zinc/16/78/86/914167886.db2.gz	BVUPGYAQHPGXTN-UHFFFAOYSA-N	-1	0	297.336	0.099	20	30		CCEDRM
C=CCC[C@H](NC(=O)[C@H]1CSCN1C(C)=O)C(=O)[O-]	ZINC000448994193	897570875	/nfs/dbraw/zinc/57/08/75/897570875.db2.gz	NWIGUENRIQTARR-VHSXEESVSA-N	-1	0	286.353	0.443	20	30		CCEDRM
C=CC[C@@H](NC(=O)CN1Cc2ccccc2C1=O)C(=O)[O-]	ZINC001327012765	914311413	/nfs/dbraw/zinc/31/14/13/914311413.db2.gz	DIBASPDIGNZONI-GFCCVEGCSA-N	-1	0	288.303	0.788	20	30		CCEDRM
C=CC[C@@H](NC(=O)c1ccc([N+](=O)[O-])cn1)C(=O)[O-]	ZINC001327013362	914313268	/nfs/dbraw/zinc/31/32/68/914313268.db2.gz	KOPUFZJCMQIAEX-SECBINFHSA-N	-1	0	265.225	0.749	20	30		CCEDRM
COc1ncc([N-]S(=O)(=O)[C@H](C)C#N)cc1F	ZINC001193106995	900031542	/nfs/dbraw/zinc/03/15/42/900031542.db2.gz	NEOSSPGXGIGJPY-ZCFIWIBFSA-N	-1	0	259.262	0.883	20	30		CCEDRM
CCOC(=O)c1cnoc1[N-]S(=O)(=O)[C@H](C)C#N	ZINC001193106690	900031791	/nfs/dbraw/zinc/03/17/91/900031791.db2.gz	VJTCNQLZLSCPEO-ZCFIWIBFSA-N	-1	0	273.270	0.505	20	30		CCEDRM
C[C@H](CC(=O)[O-])NS(=O)(=O)Cc1ccccc1C#N	ZINC000037414750	900785912	/nfs/dbraw/zinc/78/59/12/900785912.db2.gz	XGCSEZDRKPEUPL-SECBINFHSA-N	-1	0	282.321	0.841	20	30		CCEDRM
N#Cc1ncn(CCNC(=O)c2cccc(F)c2[O-])n1	ZINC001412090196	901461318	/nfs/dbraw/zinc/46/13/18/901461318.db2.gz	NPTBRQIYTZGOGX-UHFFFAOYSA-N	-1	0	275.243	0.424	20	30		CCEDRM
Cc1cccnc1NC(=O)Cn1cc(C#N)c(=O)[n-]c1=O	ZINC001412421087	901710539	/nfs/dbraw/zinc/71/05/39/901710539.db2.gz	XWEKWQQFVSXMSY-UHFFFAOYSA-N	-1	0	285.263	0.163	20	30		CCEDRM
C[C@H]1CCC[C@@H]1NC(=O)Cn1cc(C#N)c(=O)[n-]c1=O	ZINC001412525657	901788300	/nfs/dbraw/zinc/78/83/00/901788300.db2.gz	IUHHJWDJZWFVGQ-WPRPVWTQSA-N	-1	0	276.296	0.125	20	30		CCEDRM
C=C(Cl)CNC(=O)c1cccc(-n2[n-]nnc2=N)c1	ZINC001412580445	901839962	/nfs/dbraw/zinc/83/99/62/901839962.db2.gz	VGGDZZDYBZWXLN-UHFFFAOYSA-N	-1	0	278.703	0.557	20	30		CCEDRM
N#Cc1cccc(C(=O)N2Cc3n[nH]c(C(N)=O)c3C2)c1[O-]	ZINC001276216007	901974039	/nfs/dbraw/zinc/97/40/39/901974039.db2.gz	VJGADYQVEFUQDV-UHFFFAOYSA-N	-1	0	297.274	0.242	20	30		CCEDRM
Cc1ccc(CNc2[n-]c(=O)n(C)c(=O)c2C#N)cc1	ZINC001412869358	902321268	/nfs/dbraw/zinc/32/12/68/902321268.db2.gz	KJGKURBHAGXUNM-UHFFFAOYSA-N	-1	0	270.292	0.866	20	30		CCEDRM
C=CC[C@H](NC(=O)c1ccc(=O)[nH]c1C)C(=O)[O-]	ZINC001334188795	906164542	/nfs/dbraw/zinc/16/45/42/906164542.db2.gz	RWLWZDFDXMOGMT-VIFPVBQESA-N	-1	0	250.254	0.855	20	30		CCEDRM
C=C1C[C@H]2CC[C@@H](C1)N2c1[n-]c(=O)n(C)c(=O)c1C#N	ZINC001337220394	921219905	/nfs/dbraw/zinc/21/99/05/921219905.db2.gz	LDHTXPMNJQCAEJ-AOOOYVTPSA-N	-1	0	272.308	0.633	20	30		CCEDRM
C=C[C@](C)(O)C(=O)Nc1ccc(OCc2nnn[n-]2)cc1	ZINC001293574002	906493499	/nfs/dbraw/zinc/49/34/99/906493499.db2.gz	AIKXEUPFUNCOIT-ZDUSSCGKSA-N	-1	0	289.295	0.654	20	30		CCEDRM
O=C(N[C@@H]1CCN(O)C1=O)c1cccc2ccc(=O)[nH]c21	ZINC001298424563	907238433	/nfs/dbraw/zinc/23/84/33/907238433.db2.gz	FLVTZHQRKAPVEJ-SNVBAGLBSA-N	-1	0	287.275	0.660	20	30		CCEDRM
Cc1cc(Cl)cc(C(=O)N[C@H]2CCN(O)C2=O)c1N	ZINC001298426321	907240650	/nfs/dbraw/zinc/24/06/50/907240650.db2.gz	ORCXXTCSRWHFEB-VIFPVBQESA-N	-1	0	283.715	0.951	20	30		CCEDRM
C=C[C@H](C)O[N-]C(=O)C(=O)Nc1ccnn1[C@@H]1CCOC1	ZINC001338237811	921403733	/nfs/dbraw/zinc/40/37/33/921403733.db2.gz	UGQWGGBSTZVSJD-VHSXEESVSA-N	-1	0	294.311	0.405	20	30		CCEDRM
Cc1cccc(N(C)C(=O)Cn2cc(C#N)c(=O)[n-]c2=O)c1	ZINC001417632250	921472865	/nfs/dbraw/zinc/47/28/65/921472865.db2.gz	NGAIPRGZVNNFTJ-UHFFFAOYSA-N	-1	0	298.302	0.792	20	30		CCEDRM
Cc1cc(C#N)c(=O)[n-]c1C(=O)NC[C@@](C)(O)C1CC1	ZINC001417652324	921496335	/nfs/dbraw/zinc/49/63/35/921496335.db2.gz	ROENNAIAWCGCBA-CQSZACIVSA-N	-1	0	275.308	0.858	20	30		CCEDRM
C#CCOCCNC(=O)N1C[C@@H](C(=O)[O-])[C@H](C2CC2)C1	ZINC001338581258	921516059	/nfs/dbraw/zinc/51/60/59/921516059.db2.gz	FSRONISENDHFSE-NWDGAFQWSA-N	-1	0	280.324	0.388	20	30		CCEDRM
CC#CCCCC(=O)[N-]S(=O)(=O)N(CC)CC	ZINC001320282975	910579261	/nfs/dbraw/zinc/57/92/61/910579261.db2.gz	AMPVNYAUEOHEHM-UHFFFAOYSA-N	-1	0	260.359	0.883	20	30		CCEDRM
C=CCO[C@@H]1CCN(C(=O)c2cnc(C(=O)[O-])cn2)C1	ZINC001321202869	911160529	/nfs/dbraw/zinc/16/05/29/911160529.db2.gz	GEMJHMVNZBNQDC-SECBINFHSA-N	-1	0	277.280	0.592	20	30		CCEDRM
C=CC[C@H](NC(=O)CCCC(=O)N(C)C)C(=O)[O-]	ZINC001321340240	911245824	/nfs/dbraw/zinc/24/58/24/911245824.db2.gz	MZWZJJHBDHNTOR-VIFPVBQESA-N	-1	0	256.302	0.390	20	30		CCEDRM
CC(=NNc1nnc(C)c(=O)[n-]1)c1nccnc1C	ZINC001321634161	911411016	/nfs/dbraw/zinc/41/10/16/911411016.db2.gz	WLWJTZOWJHDBKF-UHFFFAOYSA-N	-1	0	259.273	0.820	20	30		CCEDRM
C[C@@H](CN(C)Cc1n[nH]c(=O)[n-]1)NC(=O)C#CC(C)(C)C	ZINC001322156481	911683051	/nfs/dbraw/zinc/68/30/51/911683051.db2.gz	JYRBOENJGVEMHX-JTQLQIEISA-N	-1	0	293.371	0.496	20	30		CCEDRM
C=C(CO)C(=O)N(C)Cc1nc(=O)c2sccc2[n-]1	ZINC001339549748	921758433	/nfs/dbraw/zinc/75/84/33/921758433.db2.gz	RVQXRXWHZJIFMF-UHFFFAOYSA-N	-1	0	279.321	0.904	20	30		CCEDRM
C=C(C)C[C@H](NC(C)=O)C(=O)NCCCc1c[nH][nH]c1=O	ZINC001339663218	921790702	/nfs/dbraw/zinc/79/07/02/921790702.db2.gz	MNJCYUPCQNNXCD-RYUDHWBXSA-N	-1	0	294.355	0.086	20	30		CCEDRM
C=C[C@H](CO)NC(=O)NC[C@@](C)(C(=O)[O-])c1ccccc1	ZINC001339733821	921809940	/nfs/dbraw/zinc/80/99/40/921809940.db2.gz	TZAALVDINVTKNL-IUODEOHRSA-N	-1	0	292.335	0.875	20	30		CCEDRM
C=CCN(CCOC)Cc1cc(C(=O)[O-])nn1C	ZINC001329825737	916208003	/nfs/dbraw/zinc/20/80/03/916208003.db2.gz	MFASAWAHAQBIGZ-UHFFFAOYSA-N	-1	0	253.302	0.753	20	30		CCEDRM
Cn1ccc(CCC(=O)[N-]S(=O)(=O)CCCC#N)n1	ZINC001330213042	916483144	/nfs/dbraw/zinc/48/31/44/916483144.db2.gz	QXEXRICJFUJADK-UHFFFAOYSA-N	-1	0	284.341	0.102	20	30		CCEDRM
C#C[C@H](CC)NC(=O)NCc1nc2c(c(=O)[nH]1)COCC2	ZINC001330576405	916711976	/nfs/dbraw/zinc/71/19/76/916711976.db2.gz	KPGPDJBQUPDHKP-SECBINFHSA-N	-1	0	290.323	0.466	20	30		CCEDRM
Cn1[n-]c(C(=O)NC2(C#N)CCSCC2)cc1=O	ZINC001330771745	916849611	/nfs/dbraw/zinc/84/96/11/916849611.db2.gz	VWNRSGWIHWHKDS-UHFFFAOYSA-N	-1	0	266.326	0.645	20	30		CCEDRM
N#CC1(C(=O)N[C@H]2CC=C(C(=O)[O-])C2)CCOCC1	ZINC001331818574	917635471	/nfs/dbraw/zinc/63/54/71/917635471.db2.gz	LFJJYVNEOJPHIZ-JTQLQIEISA-N	-1	0	264.281	0.596	20	30		CCEDRM
C=CC[C@@H](NC(=O)c1cccnc1N(C)C)C(=O)[O-]	ZINC001332137367	917894621	/nfs/dbraw/zinc/89/46/21/917894621.db2.gz	VZJAKJXCEVDPJM-SNVBAGLBSA-N	-1	0	263.297	0.907	20	30		CCEDRM
C=CC[C@@H](NC(=O)/C=C(\C)CN1CCOCC1)C(=O)[O-]	ZINC001332135880	917895122	/nfs/dbraw/zinc/89/51/22/917895122.db2.gz	MOBRTMUGIBQHPK-LMMOQWNQSA-N	-1	0	282.340	0.410	20	30		CCEDRM
C=CC[C@H](NS(=O)(=O)C[C@@H](OC)C1CC1)C(=O)[O-]	ZINC001332138244	917899921	/nfs/dbraw/zinc/89/99/21/917899921.db2.gz	XPFLZZAOOKGRRB-VHSXEESVSA-N	-1	0	277.342	0.360	20	30		CCEDRM
C#CCOc1ccccc1C[NH2+][C@H](CC(=O)[O-])C(=O)[O-]	ZINC001332475944	918192974	/nfs/dbraw/zinc/19/29/74/918192974.db2.gz	HVGRUKRRRSMOJK-LLVKDONJSA-N	-1	0	277.276	0.716	20	30		CCEDRM
C=CC[C@H](NC(=O)[C@@H]1CCc2nccn2C1)C(=O)[O-]	ZINC001332613867	918311183	/nfs/dbraw/zinc/31/11/83/918311183.db2.gz	OMXYVMNXGIEJJE-ZJUUUORDSA-N	-1	0	263.297	0.591	20	30		CCEDRM
C=CC[C@H](NC(=O)c1ccc(N2CCCC2)nn1)C(=O)[O-]	ZINC001333333195	918812386	/nfs/dbraw/zinc/81/23/86/918812386.db2.gz	ZVKQSSPPWJHOMI-NSHDSACASA-N	-1	0	290.323	0.836	20	30		CCEDRM
C#CC[NH+]1CCC(C(=O)NCC(C)(C)CC(=O)[O-])CC1	ZINC001333359581	918833228	/nfs/dbraw/zinc/83/32/28/918833228.db2.gz	URKGNAJDVJXILM-UHFFFAOYSA-N	-1	0	280.368	0.949	20	30		CCEDRM
C=CC[C@@H](NC(=O)c1ccc(=O)[nH]c1C)C(=O)[O-]	ZINC001334188793	919410818	/nfs/dbraw/zinc/41/08/18/919410818.db2.gz	RWLWZDFDXMOGMT-SECBINFHSA-N	-1	0	250.254	0.855	20	30		CCEDRM
C#CCSCC(=O)[N-]S(=O)(=O)c1cnc2n1CCC2	ZINC001334260372	919464174	/nfs/dbraw/zinc/46/41/74/919464174.db2.gz	BWVBYVADAYGQTB-UHFFFAOYSA-N	-1	0	299.377	0.001	20	30		CCEDRM
C=CC[C@H](NC(=O)c1ccc(CO)cc1OC)C(=O)[O-]	ZINC001334981059	919879652	/nfs/dbraw/zinc/87/96/52/919879652.db2.gz	OWNDPTZYJGSTGE-NSHDSACASA-N	-1	0	279.292	0.947	20	30		CCEDRM
C=CC[C@@H](NC(=O)CCc1ccc(=O)[nH]c1)C(=O)[O-]	ZINC001334980338	919881470	/nfs/dbraw/zinc/88/14/70/919881470.db2.gz	GFRKEOZXPVTGCZ-SNVBAGLBSA-N	-1	0	264.281	0.865	20	30		CCEDRM
C=CC[C@H](NC(=O)c1cnn2c1OCCC2)C(=O)[O-]	ZINC001334981041	919881485	/nfs/dbraw/zinc/88/14/85/919881485.db2.gz	OLSKKERKJAINJF-VIFPVBQESA-N	-1	0	265.269	0.425	20	30		CCEDRM
C#CCCN1CCN(C(=O)c2ccc(C(=O)[O-])nc2)CC1	ZINC001335030681	919908599	/nfs/dbraw/zinc/90/85/99/919908599.db2.gz	WXRGTBSYAOUOMT-UHFFFAOYSA-N	-1	0	287.319	0.561	20	30		CCEDRM
C=CCO[C@@H]1CCN(Cc2cnc(C(=O)[O-])cn2)C1	ZINC001335365653	920147617	/nfs/dbraw/zinc/14/76/17/920147617.db2.gz	BZHRVUSJHKDYLC-LLVKDONJSA-N	-1	0	263.297	0.952	20	30		CCEDRM
COC(=O)c1cc(S(=O)(=O)N2CCC[C@H](C#N)C2)n[nH]1	ZINC001414329973	920289355	/nfs/dbraw/zinc/28/93/55/920289355.db2.gz	GWQKZZHATSFJFY-MRVPVSSYSA-N	-1	0	298.324	0.121	20	30		CCEDRM
C=CCN(c1nnc(-c2cc(=O)[nH][n-]2)n1C)C1CC1	ZINC001339749408	921816915	/nfs/dbraw/zinc/81/69/15/921816915.db2.gz	WTQBQOBAIGMXED-UHFFFAOYSA-N	-1	0	260.301	0.194	20	30		CCEDRM
N#Cc1nc(NC(=O)Cn2ccc(C(F)F)n2)[n-]c1C#N	ZINC001418235448	921949257	/nfs/dbraw/zinc/94/92/57/921949257.db2.gz	IQXDBFCLOVUBCG-UHFFFAOYSA-N	-1	0	291.221	0.926	20	30		CCEDRM
Cc1cocc1C(=O)NCCn1cc(C#N)c(=O)[n-]c1=O	ZINC001418535797	922232800	/nfs/dbraw/zinc/23/28/00/922232800.db2.gz	ATNSNMWSLIYUAJ-UHFFFAOYSA-N	-1	0	288.263	0.152	20	30		CCEDRM
N#Cc1ccccc1OCC(=O)NC1(c2nnn[n-]2)CCC1	ZINC001419166357	922682750	/nfs/dbraw/zinc/68/27/50/922682750.db2.gz	ZGPCIIYVBUTXIY-UHFFFAOYSA-N	-1	0	298.306	0.646	20	30		CCEDRM
COCCNC(=O)C(C#N)=C([O-])c1ccnn1C1CCC1	ZINC001341931818	922726109	/nfs/dbraw/zinc/72/61/09/922726109.db2.gz	QEOCLZCVYNINHE-NSHDSACASA-N	-1	0	290.323	0.693	20	30		CCEDRM
C#C[C@H]1CCCN(c2nnc(-c3nn[nH]n3)n2CC(=C)C)C1	ZINC001342533735	922993714	/nfs/dbraw/zinc/99/37/14/922993714.db2.gz	YSCWCSXLOUEYMN-NSHDSACASA-N	-1	0	298.354	0.884	20	30		CCEDRM
CNC(=O)C(C#N)=C([O-])c1cc(C(F)F)n(C)n1	ZINC001342762594	923082269	/nfs/dbraw/zinc/08/22/69/923082269.db2.gz	WRRXXAGNJLFZGW-YFKPBYRVSA-N	-1	0	256.212	0.426	20	30		CCEDRM
C=C(C)Cn1c(-c2nn[nH]n2)nnc1N1CCC(F)(F)C1	ZINC001343416788	923304701	/nfs/dbraw/zinc/30/47/01/923304701.db2.gz	MKZNXMBYNKYEEM-UHFFFAOYSA-N	-1	0	296.285	0.880	20	30		CCEDRM
COC(=O)c1cc(C([O-])=C(C#N)C(=O)NC2CC2)on1	ZINC001343462821	923328373	/nfs/dbraw/zinc/32/83/73/923328373.db2.gz	LBORDJMZQKHCPN-ZETCQYMHSA-N	-1	0	277.236	0.062	20	30		CCEDRM
Cc1nnc(NN=Cc2cnc([C@@H](C)O)s2)[n-]c1=O	ZINC001343884424	923490507	/nfs/dbraw/zinc/49/05/07/923490507.db2.gz	MMBLDUKJKGUHQW-ZCFIWIBFSA-N	-1	0	280.313	0.841	20	30		CCEDRM
Cc1nn(C)cc1CC(=O)C(C#N)=C([O-])c1nccn1C	ZINC001344466921	923610942	/nfs/dbraw/zinc/61/09/42/923610942.db2.gz	RPXYPSNIGYWPIU-LLVKDONJSA-N	-1	0	285.307	0.596	20	30		CCEDRM
N#CC(C(=O)NC1CC1)=C([O-])c1cnc2nccnc2c1	ZINC001346065408	924060880	/nfs/dbraw/zinc/06/08/80/924060880.db2.gz	SLOGZOWOAHLXHI-SNVBAGLBSA-N	-1	0	281.275	0.626	20	30		CCEDRM
C[C@@H]1CCN(c2[n-]c(=O)n(C)c(=O)c2C#N)C[C@H]1C	ZINC001348063533	924588837	/nfs/dbraw/zinc/58/88/37/924588837.db2.gz	QUZPOCOLCAGLMI-RKDXNWHRSA-N	-1	0	262.313	0.428	20	30		CCEDRM
C#CCCCC(=O)N1CCC[C@H](Cc2nnn[n-]2)C1	ZINC001349213816	924909199	/nfs/dbraw/zinc/90/91/99/924909199.db2.gz	QQZWDNKBRUPTKS-LLVKDONJSA-N	-1	0	261.329	0.784	20	30		CCEDRM
C=CC[C@H](NC(=O)c1cc(OC)ccn1)C(=O)[O-]	ZINC001349458267	924965301	/nfs/dbraw/zinc/96/53/01/924965301.db2.gz	VSKCSIVWQZUUAT-VIFPVBQESA-N	-1	0	250.254	0.849	20	30		CCEDRM
C=C[C@@H](C)O[N-]C(=O)Cn1ccc(=O)c([N+](=O)[O-])c1	ZINC001349644758	925011196	/nfs/dbraw/zinc/01/11/96/925011196.db2.gz	QTDWKIFIOJXEGV-MRVPVSSYSA-N	-1	0	267.241	0.379	20	30		CCEDRM
C#CCCCC(=O)N[C@@H](C(=O)[O-])[C@H](O)c1ccncc1	ZINC001349944905	925102499	/nfs/dbraw/zinc/10/24/99/925102499.db2.gz	ROXJKDRZFGOABH-CHWSQXEVSA-N	-1	0	276.292	0.488	20	30		CCEDRM
C#CC[C@H](NC(=O)[C@@H]1C[C@H]1c1ccncc1)C(=O)[O-]	ZINC001349943741	925102517	/nfs/dbraw/zinc/10/25/17/925102517.db2.gz	MJHYYTJAOGULOX-TUAOUCFPSA-N	-1	0	258.277	0.778	20	30		CCEDRM
C#CCN(CC1CC1)C(=O)CCCn1c(=O)[n-][nH]c1=O	ZINC001350714897	925260738	/nfs/dbraw/zinc/26/07/38/925260738.db2.gz	CKFMVQIIVKQCLQ-UHFFFAOYSA-N	-1	0	278.312	0.341	20	30		CCEDRM
C=C(C)C[C@@H](NC(C)=O)C(=O)Nc1nc(C#N)c(C#N)[n-]1	ZINC001300045085	925593188	/nfs/dbraw/zinc/59/31/88/925593188.db2.gz	RZANGCZRIJROLP-SECBINFHSA-N	-1	0	286.295	0.562	20	30		CCEDRM
C=CCC[C@H](NC(=O)[C@@H](C)N1CCN(C)CC1)C(=O)[O-]	ZINC001354046573	925996011	/nfs/dbraw/zinc/99/60/11/925996011.db2.gz	FGQZYSHFVIHHGB-NEPJUHHUSA-N	-1	0	283.372	0.158	20	30		CCEDRM
C=CC[C@@H](NC(=O)[C@@]1(OC)CCSC1)C(=O)[O-]	ZINC001354048129	925996979	/nfs/dbraw/zinc/99/69/79/925996979.db2.gz	XZVHCEKJCCAOBJ-LDYMZIIASA-N	-1	0	259.327	0.654	20	30		CCEDRM
C=CCNC(=O)C(C#N)=C([O-])c1cnc2c(cnn2C)c1	ZINC001356029370	926335904	/nfs/dbraw/zinc/33/59/04/926335904.db2.gz	KGJAHNWOKWLRTA-LLVKDONJSA-N	-1	0	283.291	0.593	20	30		CCEDRM
COCCCNC(=O)C(C#N)=C([O-])c1ccsn1	ZINC001356220742	926355476	/nfs/dbraw/zinc/35/54/76/926355476.db2.gz	KZDRJWROAOPWDF-QMMMGPOBSA-N	-1	0	267.310	0.618	20	30		CCEDRM
C#C[C@H](NC(=O)NC[C@H](CC)C(=O)[O-])[C@@H]1CCCO1	ZINC001356631922	926415084	/nfs/dbraw/zinc/41/50/84/926415084.db2.gz	PTHDVCJZWKGZQP-DCAQKATOSA-N	-1	0	268.313	0.577	20	30		CCEDRM
C=CC[C@@H](NC(=O)[C@@H]1CC(=O)N(C2CCCC2)C1)C(=O)[O-]	ZINC000150018630	926943270	/nfs/dbraw/zinc/94/32/70/926943270.db2.gz	NRGOVGOKSQKBJJ-ZYHUDNBSSA-N	-1	0	294.351	0.923	20	30		CCEDRM
C=CC[C@H](NC(=O)Cc1c(C)n[nH]c1C)C(=O)[O-]	ZINC000150043241	926946101	/nfs/dbraw/zinc/94/61/01/926946101.db2.gz	YAIITWWMICSWEI-JTQLQIEISA-N	-1	0	251.286	0.715	20	30		CCEDRM
C=CC[C@@H](NC(=O)CCc1nc(C)no1)C(=O)[O-]	ZINC000150045751	926947075	/nfs/dbraw/zinc/94/70/75/926947075.db2.gz	DHTJEVXHICQPHK-MRVPVSSYSA-N	-1	0	253.258	0.456	20	30		CCEDRM
C=CC[C@@H](NC(=O)c1cccc(C(N)=O)c1)C(=O)[O-]	ZINC000150056620	926947715	/nfs/dbraw/zinc/94/77/15/926947715.db2.gz	IIFBFPKTISSSBH-SNVBAGLBSA-N	-1	0	262.265	0.545	20	30		CCEDRM
Cc1cc(C#N)c(=O)[n-]c1C(=O)N(C)Cc1cn[nH]c1	ZINC001361868997	927407928	/nfs/dbraw/zinc/40/79/28/927407928.db2.gz	KQLPYTMZPGNWLX-UHFFFAOYSA-N	-1	0	271.280	0.963	20	30		CCEDRM
Cc1cc(NC(=O)CCn2cc(C#N)c(=O)[n-]c2=O)no1	ZINC001362030006	927538123	/nfs/dbraw/zinc/53/81/23/927538123.db2.gz	NZZLWCBWFVMGTA-UHFFFAOYSA-N	-1	0	289.251	0.146	20	30		CCEDRM
COC(=O)[C@H](NC(=O)c1[n-]c(=O)c(C#N)cc1C)C1CC1	ZINC001362196096	927717715	/nfs/dbraw/zinc/71/77/15/927717715.db2.gz	ZUUSFGDDCUKPKE-LLVKDONJSA-N	-1	0	289.291	0.649	20	30		CCEDRM
COC(=O)[C@@H](NC(=O)c1[n-]c(=O)c(C#N)cc1C)C1CC1	ZINC001362196109	927719475	/nfs/dbraw/zinc/71/94/75/927719475.db2.gz	ZUUSFGDDCUKPKE-NSHDSACASA-N	-1	0	289.291	0.649	20	30		CCEDRM
COc1cc(C#N)ccc1C(=O)NCCc1nc(=O)o[n-]1	ZINC001362403622	927973966	/nfs/dbraw/zinc/97/39/66/927973966.db2.gz	WKPVXZYNVJKGPJ-UHFFFAOYSA-N	-1	0	288.263	0.216	20	30		CCEDRM
CC(=O)N[C@H](C(=O)Nc1nc(C#N)c(C#N)[n-]1)C(C)(C)C	ZINC001362610437	928248224	/nfs/dbraw/zinc/24/82/24/928248224.db2.gz	FAYJFPRZQPTMCO-SNVBAGLBSA-N	-1	0	288.311	0.642	20	30		CCEDRM
N#Cc1cscc1C(=O)NCc1nc([O-])cc(=O)[nH]1	ZINC001362721318	928408180	/nfs/dbraw/zinc/40/81/80/928408180.db2.gz	TXMXHYDZPXKKAR-UHFFFAOYSA-N	-1	0	276.277	0.751	20	30		CCEDRM
CC(C)[C@]1(C)C[C@@H]1NC(=O)Cn1cc(C#N)c(=O)[n-]c1=O	ZINC001362821268	928534046	/nfs/dbraw/zinc/53/40/46/928534046.db2.gz	YWGXFJFNIVTLLE-HZMBPMFUSA-N	-1	0	290.323	0.371	20	30		CCEDRM
Cc1cc(C#N)c(=O)[n-]c1C(=O)N1[C@H](C)CC[C@@H]1CO	ZINC001362845110	928564241	/nfs/dbraw/zinc/56/42/41/928564241.db2.gz	MUKRNMAUOJLQDY-MWLCHTKSSA-N	-1	0	275.308	0.953	20	30		CCEDRM
Cn1ncc(Cl)c1C(=O)Nc1nc(C#N)c(C#N)[n-]1	ZINC001362862550	928584406	/nfs/dbraw/zinc/58/44/06/928584406.db2.gz	AFKDEDSVPDWAJG-UHFFFAOYSA-N	-1	0	275.659	0.792	20	30		CCEDRM
CC[C@@](C)(NC(=O)Cn1cc(C#N)c(=O)[n-]c1=O)C1CC1	ZINC001363087595	928852348	/nfs/dbraw/zinc/85/23/48/928852348.db2.gz	IVDZIELJDRKJBH-CQSZACIVSA-N	-1	0	290.323	0.515	20	30		CCEDRM
CC(=O)c1ccc(Oc2[n-]c(=O)n(C)c(=O)c2C#N)cc1	ZINC001363128709	928900603	/nfs/dbraw/zinc/90/06/03/928900603.db2.gz	SBUXOKSSOFXZCI-UHFFFAOYSA-N	-1	0	285.259	0.940	20	30		CCEDRM
Cc1cc(C#N)c(=O)[n-]c1C(=O)NC[C@@H](O)[C@@H]1CCCO1	ZINC001363256054	929035549	/nfs/dbraw/zinc/03/55/49/929035549.db2.gz	PEFJAUMXORBJPE-MNOVXSKESA-N	-1	0	291.307	0.237	20	30		CCEDRM
N#Cc1cc(C(=O)Nn2c(=O)[n-][nH]c2=O)ccc1Cl	ZINC001363373060	929160545	/nfs/dbraw/zinc/16/05/45/929160545.db2.gz	ASPVDKQEPHEXGT-UHFFFAOYSA-N	-1	0	279.643	0.598	20	30		CCEDRM
N#Cc1ccc(CC(=O)NC2(c3nnn[n-]3)CCC2)cn1	ZINC001363375587	929163173	/nfs/dbraw/zinc/16/31/73/929163173.db2.gz	ATDPZSVBFFTUAP-UHFFFAOYSA-N	-1	0	283.295	0.204	20	30		CCEDRM
COc1cc(C#N)ccc1OCC(=O)N(C)c1nnn[n-]1	ZINC001363487844	929295287	/nfs/dbraw/zinc/29/52/87/929295287.db2.gz	FHNVQDGSRFXUPG-UHFFFAOYSA-N	-1	0	288.267	0.122	20	30		CCEDRM
COCC1(C(=O)Nc2nc(C#N)c(C#N)[n-]2)CCOCC1	ZINC001363639815	929441667	/nfs/dbraw/zinc/44/16/67/929441667.db2.gz	GLDDIYOTWOUPKS-UHFFFAOYSA-N	-1	0	289.295	0.535	20	30		CCEDRM
CO[C@@H]1CCCC[C@H]1Nc1[n-]c(=O)n(C)c(=O)c1C#N	ZINC001363743520	929539570	/nfs/dbraw/zinc/53/95/70/929539570.db2.gz	JUSCICMYYXOGFK-NXEZZACHSA-N	-1	0	278.312	0.315	20	30		CCEDRM
CC(C)c1cc(CNc2[n-]c(=O)n(C)c(=O)c2C#N)on1	ZINC001363744735	929541453	/nfs/dbraw/zinc/54/14/53/929541453.db2.gz	VCQIOZLFSNFVME-UHFFFAOYSA-N	-1	0	289.295	0.669	20	30		CCEDRM
C=CC[C@H](NC(=O)Cn1c(=O)[n-][nH]c1=O)c1ccncc1	ZINC001444203016	929808361	/nfs/dbraw/zinc/80/83/61/929808361.db2.gz	APXCTJLJVBIEAN-JTQLQIEISA-N	-1	0	289.295	0.518	20	30		CCEDRM
CC[C@H](C)C[C@H](C)NC(=O)Cn1cc(C#N)c(=O)[n-]c1=O	ZINC001444694870	929934575	/nfs/dbraw/zinc/93/45/75/929934575.db2.gz	QDFFMBXINQSGEO-UWVGGRQHSA-N	-1	0	292.339	0.761	20	30		CCEDRM
Cc1cc(C#N)c(=O)[n-]c1C(=O)N1CC[C@@H]([C@H](C)O)C1	ZINC001446730595	930467560	/nfs/dbraw/zinc/46/75/60/930467560.db2.gz	ALUPKWISOBBCRV-VHSXEESVSA-N	-1	0	275.308	0.810	20	30		CCEDRM
C=CCO[N-]C(=O)Cn1nnnc1-c1ccccc1	ZINC001449703786	931178949	/nfs/dbraw/zinc/17/89/49/931178949.db2.gz	WJCPVIVLDXBJPT-UHFFFAOYSA-N	-1	0	259.269	0.574	20	30		CCEDRM
COC(=O)c1ccc(C=NNCCC(=O)[O-])n1C	ZINC001610976808	970824398	/nfs/dbraw/zinc/82/43/98/970824398.db2.gz	NPVWJUQTGZKBEK-UHFFFAOYSA-N	-1	0	253.258	0.210	20	30		CCEDRM
COc1ccc2c(c1F)NC(=O)C2=NNCCC(=O)[O-]	ZINC001611060824	970873232	/nfs/dbraw/zinc/87/32/32/970873232.db2.gz	NOCVRLOFWRRFSL-UHFFFAOYSA-N	-1	0	281.243	0.555	20	30		CCEDRM
O=C([O-])CCNN=Cc1ccccc1-n1cncn1	ZINC001611454591	971060842	/nfs/dbraw/zinc/06/08/42/971060842.db2.gz	WCOFLAJEZOOYFF-UHFFFAOYSA-N	-1	0	259.269	0.666	20	30		CCEDRM
C#CC[C@H](CCOC)NC(=O)[C@H]1CO[C@H](CCC(=O)[O-])C1	ZINC001602675544	971250704	/nfs/dbraw/zinc/25/07/04/971250704.db2.gz	ZDDCJYCBUQLUSA-JHJVBQTASA-N	-1	0	297.351	0.801	20	30		CCEDRM
C#CCN(CC(=O)[O-])C(=O)[C@H](C)Cc1c(C)n[nH]c1C	ZINC001602678994	971258272	/nfs/dbraw/zinc/25/82/72/971258272.db2.gz	JITGYGWOVLXDCN-SECBINFHSA-N	-1	0	277.324	0.752	20	30		CCEDRM
C#CCN(CC(=O)[O-])C(=O)Cc1ccc(O)c(O)c1	ZINC001602683611	971274338	/nfs/dbraw/zinc/27/43/38/971274338.db2.gz	HIMZEYIIGZQSKV-UHFFFAOYSA-N	-1	0	263.249	0.187	20	30		CCEDRM
C#CCN(CC(=O)[O-])C(=O)NCC1CCC(OC)CC1	ZINC001602686034	971285574	/nfs/dbraw/zinc/28/55/74/971285574.db2.gz	OOGXCMUBGHCGKZ-UHFFFAOYSA-N	-1	0	282.340	0.921	20	30		CCEDRM
C#CCN(CC(=O)[O-])C(=O)Nc1cccc(-n2ccnn2)c1	ZINC001602688037	971287310	/nfs/dbraw/zinc/28/73/10/971287310.db2.gz	AIUBHZJXBSSINX-UHFFFAOYSA-N	-1	0	299.290	0.819	20	30		CCEDRM
C#CCN(CC(=O)[O-])C(=O)Nc1cn(C)nc1C1CC1	ZINC001602688553	971291653	/nfs/dbraw/zinc/29/16/53/971291653.db2.gz	PNTKQQQEIFHVNW-UHFFFAOYSA-N	-1	0	276.296	0.849	20	30		CCEDRM
C#CCN(CC(=O)[O-])C(=O)Nc1cnn(CCF)c1	ZINC001602688537	971291706	/nfs/dbraw/zinc/29/17/06/971291706.db2.gz	OXHKXKDSHTVVRQ-UHFFFAOYSA-N	-1	0	268.248	0.404	20	30		CCEDRM
C#CCN(CC(=O)[O-])C(=O)[C@]12CC[C@H](CC1=O)C2(C)C	ZINC001602691584	971296340	/nfs/dbraw/zinc/29/63/40/971296340.db2.gz	NSTRZKHKJVPUMM-BMIGLBTASA-N	-1	0	277.320	0.928	20	30		CCEDRM
C#CCN(CCc1nc2ccccc2c(=O)[nH]1)CC(=O)[O-]	ZINC001602700819	971322389	/nfs/dbraw/zinc/32/23/89/971322389.db2.gz	KOJJLENROMNIPY-UHFFFAOYSA-N	-1	0	285.303	0.898	20	30		CCEDRM
C#CCn1cc(CNC(=O)[C@@H](C(=O)[O-])C2CC2)cn1	ZINC001602704571	971335312	/nfs/dbraw/zinc/33/53/12/971335312.db2.gz	LKQYQXMLJHVVPS-NSHDSACASA-N	-1	0	261.281	0.243	20	30		CCEDRM
C=C(C)C(C)(C)C(=O)N1CCO[C@](COC)(C(=O)[O-])C1	ZINC001602707388	971343869	/nfs/dbraw/zinc/34/38/69/971343869.db2.gz	STJFGRDLTCCIGC-CQSZACIVSA-N	-1	0	285.340	0.917	20	30		CCEDRM
C=CCCNC(=O)C(=O)Nc1cccnc1C(=O)[O-]	ZINC001602721992	971385110	/nfs/dbraw/zinc/38/51/10/971385110.db2.gz	NFCQNEFMRQEAOP-UHFFFAOYSA-N	-1	0	263.253	0.411	20	30		CCEDRM
C=CCN1CC[C@H](OC(=O)[C@@](C)(C#N)CC(=O)[O-])C1=O	ZINC001602722979	971392193	/nfs/dbraw/zinc/39/21/93/971392193.db2.gz	DSRUDLQBPFZBFV-TVQRCGJNSA-N	-1	0	280.280	0.321	20	30		CCEDRM
C[C@](C#N)(CC(=O)[O-])C(=O)N[C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@H]12	ZINC001602782359	971528635	/nfs/dbraw/zinc/52/86/35/971528635.db2.gz	TWQFLYITSVELOI-YQFZBBBJSA-N	-1	0	264.281	0.283	20	30		CCEDRM
N#CCc1ccc(NC(=O)c2cn(CC(=O)[O-])nn2)cc1	ZINC000090719457	949131997	/nfs/dbraw/zinc/13/19/97/949131997.db2.gz	KGSYPHUJDGTRCD-UHFFFAOYSA-N	-1	0	285.263	0.681	20	30		CCEDRM
C[C@H](NS(=O)(=O)c1ccc(CC#N)cc1)C(=O)[O-]	ZINC000092130643	949140564	/nfs/dbraw/zinc/14/05/64/949140564.db2.gz	FWEZMRURQVUPQG-QMMMGPOBSA-N	-1	0	268.294	0.504	20	30		CCEDRM
C#CCN(CC(=O)[O-])C(=O)Cc1ccc(OC)c(F)c1	ZINC000092478942	949150406	/nfs/dbraw/zinc/15/04/06/949150406.db2.gz	LBUDSYQDBKZODD-UHFFFAOYSA-N	-1	0	279.267	0.923	20	30		CCEDRM
C#CCN(CC(=O)[O-])[C@H](C)C(=O)N1CCCCC1	ZINC000092481955	949155365	/nfs/dbraw/zinc/15/53/65/949155365.db2.gz	GLMINKKBQQYJSG-LLVKDONJSA-N	-1	0	252.314	0.407	20	30		CCEDRM
C#CCN(CC(=O)[O-])C(=O)NCc1csc(C)n1	ZINC000092491033	949159805	/nfs/dbraw/zinc/15/98/05/949159805.db2.gz	QRFNZPXPWMFHHT-UHFFFAOYSA-N	-1	0	267.310	0.681	20	30		CCEDRM
C#CCN(CC(=O)[O-])C(=O)NCCOCC(=C)C	ZINC000164165072	949413323	/nfs/dbraw/zinc/41/33/23/949413323.db2.gz	GLFSOEHOTZTPAD-UHFFFAOYSA-N	-1	0	254.286	0.309	20	30		CCEDRM
C#C[C@@H](CCC)NC(=O)N1CCO[C@H](C(=O)[O-])C1	ZINC000230017022	949668905	/nfs/dbraw/zinc/66/89/05/949668905.db2.gz	FPMZQJOKISPNKM-UWVGGRQHSA-N	-1	0	254.286	0.283	20	30		CCEDRM
C[C@H](C(=O)[O-])C(=O)Nc1ncn(Cc2ccc(C#N)cc2)n1	ZINC001602811221	971602792	/nfs/dbraw/zinc/60/27/92/971602792.db2.gz	VSCRJLZSNFBODI-VIFPVBQESA-N	-1	0	299.290	0.857	20	30		CCEDRM
CCCN(CC(=O)[O-])C(=O)CNc1ccc(C#N)cn1	ZINC001589662371	949870855	/nfs/dbraw/zinc/87/08/55/949870855.db2.gz	LNODINLRBNZDPU-UHFFFAOYSA-N	-1	0	276.296	0.688	20	30		CCEDRM
C[C@@H](C(=O)[O-])N(C1CC1)S(=O)(=O)CCCCC#N	ZINC001602820427	971625807	/nfs/dbraw/zinc/62/58/07/971625807.db2.gz	WPBHSIFYCFRVHU-VIFPVBQESA-N	-1	0	274.342	0.948	20	30		CCEDRM
CCN([C@@H](C)C(=O)[O-])S(=O)(=O)N(C)C[C@@H](C)C#N	ZINC001589713102	950337758	/nfs/dbraw/zinc/33/77/58/950337758.db2.gz	CKURZGOHYRLHAN-IUCAKERBSA-N	-1	0	277.346	0.118	20	30		CCEDRM
C#CCCNS(=O)(=O)c1cc(C(=O)[O-])ccn1	ZINC000379741893	971657382	/nfs/dbraw/zinc/65/73/82/971657382.db2.gz	MJQJUJSKEBMECA-UHFFFAOYSA-N	-1	0	254.267	0.081	20	30		CCEDRM
CCN(C[C@@H](C)C#N)C(=O)CN(CC(=O)[O-])CC1CC1	ZINC001589719336	950403063	/nfs/dbraw/zinc/40/30/63/950403063.db2.gz	CVBQQHKYCAJSGJ-NSHDSACASA-N	-1	0	281.356	0.791	20	30		CCEDRM
C=CCNC(=O)NC(=O)C[N@@H+]1CC[C@H](C(=O)[O-])[C@@H](C)C1	ZINC000312793758	950770421	/nfs/dbraw/zinc/77/04/21/950770421.db2.gz	GEUFRCBWYHVBSY-UWVGGRQHSA-N	-1	0	283.328	0.041	20	30		CCEDRM
N#CCCN1CCN(C(=O)[C@@H]2CC[C@H]2C(=O)[O-])CC1	ZINC000397087210	951519580	/nfs/dbraw/zinc/51/95/80/951519580.db2.gz	IIGGEPIXLMQXNB-GHMZBOCLSA-N	-1	0	265.313	0.155	20	30		CCEDRM
O=C([O-])Cn1cc(C(=O)NCC#Cc2ccccc2)nn1	ZINC001595143265	952098561	/nfs/dbraw/zinc/09/85/61/952098561.db2.gz	XUAQENBSRQTZIN-UHFFFAOYSA-N	-1	0	284.275	0.144	20	30		CCEDRM
C[C@@H]1C[C@H](C(=O)[O-])CN(C(=O)[C@@]2(C#N)CCCOC2)C1	ZINC001589268593	953387751	/nfs/dbraw/zinc/38/77/51/953387751.db2.gz	MEOSMKIYDWGNPP-UHIISALHSA-N	-1	0	280.324	0.876	20	30		CCEDRM
CN(C(=O)[C@@H]1CC(C(=O)[O-])=NO1)C1(C#N)CCC1	ZINC001593674948	953911572	/nfs/dbraw/zinc/91/15/72/953911572.db2.gz	GGRYCMUATQKTRO-QMMMGPOBSA-N	-1	0	251.242	0.121	20	30		CCEDRM
C[C@@H]1CN=C(NC(=O)[C@](C)(C#N)CC(=O)[O-])S1	ZINC001589407935	954479766	/nfs/dbraw/zinc/47/97/66/954479766.db2.gz	ZPXRGNFLLGEQLA-LDWIPMOCSA-N	-1	0	255.299	0.598	20	30		CCEDRM
CCC#C[C@H](C)N1CCO[C@](COC)(C(=O)[O-])C1	ZINC001589420562	954598361	/nfs/dbraw/zinc/59/83/61/954598361.db2.gz	WKROZGZQQOMORQ-WCQYABFASA-N	-1	0	255.314	0.590	20	30		CCEDRM
CC[C@H](C#N)N(C)C(=O)[C@@H]1CCCN(CC(=O)[O-])C1=O	ZINC001589426956	954636194	/nfs/dbraw/zinc/63/61/94/954636194.db2.gz	ULTPQIVPJKVOBH-ZJUUUORDSA-N	-1	0	281.312	0.070	20	30		CCEDRM
Cc1onc(CC(=O)N2CC[C@H](C)[C@H](C(=O)[O-])C2)c1C#N	ZINC001594510217	955378965	/nfs/dbraw/zinc/37/89/65/955378965.db2.gz	JJXDKLFXRATDJV-GZMMTYOYSA-N	-1	0	291.307	0.966	20	30		CCEDRM
C[C@H](CNC(=O)[C@](C)(C#N)CC(=O)[O-])c1nncn1C	ZINC001589039776	955584397	/nfs/dbraw/zinc/58/43/97/955584397.db2.gz	JCMFWVOQUKUUFQ-PELKAZGASA-N	-1	0	279.300	0.039	20	30		CCEDRM
Cn1cc([C@@H]2C[C@@H](C(=O)[O-])CN(CCC#N)C2)cn1	ZINC001594538128	955597834	/nfs/dbraw/zinc/59/78/34/955597834.db2.gz	QPRVNHIKOLIQMC-GHMZBOCLSA-N	-1	0	262.313	0.824	20	30		CCEDRM
COC(=O)c1cc(C=NNCCC(=O)[O-])n(C)c1C	ZINC001593869164	955614404	/nfs/dbraw/zinc/61/44/04/955614404.db2.gz	LOXFDFHVZLJGSP-UHFFFAOYSA-N	-1	0	267.285	0.518	20	30		CCEDRM
C[C@@H](CNC(=O)N1CCN(C2CC2)[C@H](C#N)C1)C(=O)[O-]	ZINC001589049776	955648677	/nfs/dbraw/zinc/64/86/77/955648677.db2.gz	IGJMPHXVYCJFRY-GXSJLCMTSA-N	-1	0	280.328	0.089	20	30		CCEDRM
C[C@@H](CO)C1CCN(C(=O)[C@](C)(C#N)CC(=O)[O-])CC1	ZINC001589073236	955791287	/nfs/dbraw/zinc/79/12/87/955791287.db2.gz	KVTNNXZMPHNVDX-HZMBPMFUSA-N	-1	0	282.340	0.858	20	30		CCEDRM
CO[C@H](C(=O)[O-])C(=O)OCC#Cc1ccc(F)cc1	ZINC001593914249	956006865	/nfs/dbraw/zinc/00/68/65/956006865.db2.gz	FTBRUZRIEWOTKH-LLVKDONJSA-N	-1	0	266.224	0.820	20	30		CCEDRM
N#CC1(COC(=O)c2cccn(CC(=O)[O-])c2=O)CCC1	ZINC001594602266	956143843	/nfs/dbraw/zinc/14/38/43/956143843.db2.gz	LJTFRIXFIBWYNF-UHFFFAOYSA-N	-1	0	290.275	0.784	20	30		CCEDRM
N#CC1(CNC(=O)N[C@H]2C[C@H](C(=O)[O-])C2)CCOCC1	ZINC001594603678	956157843	/nfs/dbraw/zinc/15/78/43/956157843.db2.gz	IOIGSWOSJZCKFT-MGCOHNPYSA-N	-1	0	281.312	0.469	20	30		CCEDRM
N#CCC1(CNC(=O)C2(C(=O)[O-])CCOCC2)CC1	ZINC001594605361	956164903	/nfs/dbraw/zinc/16/49/03/956164903.db2.gz	BBAPUDUVJJCQGN-UHFFFAOYSA-N	-1	0	266.297	0.678	20	30		CCEDRM
N#CCCCn1cc(CN2CCC[C@@H]2C(=O)[O-])nn1	ZINC001594609030	956188819	/nfs/dbraw/zinc/18/88/19/956188819.db2.gz	JXYFAQZKACUIGZ-LLVKDONJSA-N	-1	0	263.301	0.631	20	30		CCEDRM
N#CCNC(=O)CNC(=O)Nc1ccccc1CC(=O)[O-]	ZINC001594609687	956194119	/nfs/dbraw/zinc/19/41/19/956194119.db2.gz	HIMXTIUAOXXASF-UHFFFAOYSA-N	-1	0	290.279	0.075	20	30		CCEDRM
N#CCc1ccc(CNC(=O)[C@@H]2CC(C(=O)[O-])=NO2)cc1	ZINC001594611308	956213484	/nfs/dbraw/zinc/21/34/84/956213484.db2.gz	MDSJPDUSDKVDOP-LBPRGKRZSA-N	-1	0	287.275	0.598	20	30		CCEDRM
N#Cc1c(NC(=O)[C@@]2(C(=O)[O-])CCCO2)n[nH]c1C1CC1	ZINC001594612011	956224007	/nfs/dbraw/zinc/22/40/07/956224007.db2.gz	SXXCMCYQSBHPFN-CYBMUJFWSA-N	-1	0	290.279	0.731	20	30		CCEDRM
C[C@](O)(CNC(=O)Nc1cccc(OCC#N)c1)C(=O)[O-]	ZINC001589144257	956274013	/nfs/dbraw/zinc/27/40/13/956274013.db2.gz	KTZRMBISOCLNTQ-ZDUSSCGKSA-N	-1	0	293.279	0.546	20	30		CCEDRM
N#Cc1ccc(CNC(=O)[C@@]2(C(=O)[O-])CCCO2)cc1	ZINC001594620612	956277628	/nfs/dbraw/zinc/27/76/28/956277628.db2.gz	NNCFKYKOYYQKCT-CQSZACIVSA-N	-1	0	274.276	0.808	20	30		CCEDRM
CO[C@@]1(CN=Nc2ncccc2C(=O)[O-])CCOC1	ZINC001593943902	956307268	/nfs/dbraw/zinc/30/72/68/956307268.db2.gz	UXQXTYHPIBHKOF-GFCCVEGCSA-N	-1	0	265.269	0.983	20	30		CCEDRM
C[C@](O)(CNc1ncc(C#N)cc1[N+](=O)[O-])C(=O)[O-]	ZINC001589148474	956320791	/nfs/dbraw/zinc/32/07/91/956320791.db2.gz	SDLGHRDGPBIIFL-JTQLQIEISA-N	-1	0	266.213	0.109	20	30		CCEDRM
N#Cc1cccc([N+](=O)[O-])c1CN1CCOC[C@H]1C(=O)[O-]	ZINC001594628872	956338086	/nfs/dbraw/zinc/33/80/86/956338086.db2.gz	SYYWWEHVQPDGOU-LBPRGKRZSA-N	-1	0	291.263	0.752	20	30		CCEDRM
CC1(C#N)CN(C(=O)Nc2ccn(CC(=O)[O-])n2)C1	ZINC001589181256	956520435	/nfs/dbraw/zinc/52/04/35/956520435.db2.gz	CIOSMRYUKKNTJR-UHFFFAOYSA-N	-1	0	263.257	0.345	20	30		CCEDRM
COC[C@]1(C(=O)[O-])CN(Cc2ccccc2C#N)CCO1	ZINC001593983981	956741212	/nfs/dbraw/zinc/74/12/12/956741212.db2.gz	MUXGEHTZJVMSOH-HNNXBMFYSA-N	-1	0	290.319	0.860	20	30		CCEDRM
COCCN(CCC(=O)[O-])C(=O)CC1(C#N)CC1	ZINC001594002461	956941567	/nfs/dbraw/zinc/94/15/67/956941567.db2.gz	KSMRIFPEGMVFOE-UHFFFAOYSA-N	-1	0	254.286	0.630	20	30		CCEDRM
CCN(CCC#N)S(=O)(=O)N1CCCC[C@@H]1C(=O)[O-]	ZINC000037838817	957335688	/nfs/dbraw/zinc/33/56/88/957335688.db2.gz	OTXJCHHNCVVUHJ-SNVBAGLBSA-N	-1	0	289.357	0.406	20	30		CCEDRM
C[C@H](CNC(=O)[C@](C)(C#N)CC(=O)[O-])N1CCCCC1=O	ZINC001603166141	972262123	/nfs/dbraw/zinc/26/21/23/972262123.db2.gz	AQELJPMSSDVSAF-YGRLFVJLSA-N	-1	0	295.339	0.508	20	30		CCEDRM
C[C@@H](CNS(=O)(=O)Cc1csc(C#N)c1)C(=O)[O-]	ZINC001603193697	972299169	/nfs/dbraw/zinc/29/91/69/972299169.db2.gz	QHUSQBDNWUOKSO-ZETCQYMHSA-N	-1	0	288.350	0.760	20	30		CCEDRM
C#CC1(F)CN(C(=O)N[C@H]2CC[C@@H](C(=O)[O-])C2)C1	ZINC001588375589	957967037	/nfs/dbraw/zinc/96/70/37/957967037.db2.gz	CKEHWYDWMIEXMA-BDAKNGLRSA-N	-1	0	254.261	0.606	20	30		CCEDRM
C#C[C@@H](NCc1cc(C(=O)[O-])nn1C)[C@H]1CCCO1	ZINC001588385736	957973790	/nfs/dbraw/zinc/97/37/90/957973790.db2.gz	HFLKCXJEXUTHSR-ZYHUDNBSSA-N	-1	0	263.297	0.389	20	30		CCEDRM
C#CC1(NC(=O)[C@@H]2CCCN(CC(=O)[O-])C2=O)CCCC1	ZINC001588386374	957977478	/nfs/dbraw/zinc/97/74/78/957977478.db2.gz	PZYPWLNOEFXNDA-NSHDSACASA-N	-1	0	292.335	0.372	20	30		CCEDRM
C#C[C@H](NC(=O)CSCC(=O)[O-])[C@H]1CCCO1	ZINC001588387651	957988537	/nfs/dbraw/zinc/98/85/37/957988537.db2.gz	LOJBDUIGAVBXIU-DTWKUNHWSA-N	-1	0	257.311	0.101	20	30		CCEDRM
C#CCCCn1nnnc1N1C[C@@H](C(=O)[O-])[C@H](C2CC2)C1	ZINC001588390717	958011916	/nfs/dbraw/zinc/01/19/16/958011916.db2.gz	DVPBGSISPLOUDO-NWDGAFQWSA-N	-1	0	289.339	0.634	20	30		CCEDRM
C#CCN(CC(=O)[O-])C(=O)[C@H](C)c1c(C)noc1C	ZINC001588397565	958059388	/nfs/dbraw/zinc/05/93/88/958059388.db2.gz	MCCLHZTZJYTPHK-MRVPVSSYSA-N	-1	0	264.281	0.941	20	30		CCEDRM
C#CCN(CC(=O)[O-])C(=O)CCC(C)(C)[N+](=O)[O-]	ZINC001588402079	958087420	/nfs/dbraw/zinc/08/74/20/958087420.db2.gz	KUPHOURYWHPOCE-UHFFFAOYSA-N	-1	0	256.258	0.368	20	30		CCEDRM
C#CCN(CC(=O)[O-])C(=O)CCOC[C@@H]1CCCO1	ZINC001588402503	958093544	/nfs/dbraw/zinc/09/35/44/958093544.db2.gz	VYJMYEVZLWCGIE-NSHDSACASA-N	-1	0	269.297	0.119	20	30		CCEDRM
C#CCN(CC(=O)[O-])C(=O)Cc1ccccc1C#C	ZINC001588407434	958099810	/nfs/dbraw/zinc/09/98/10/958099810.db2.gz	MGPCOQJFFHAXLA-UHFFFAOYSA-N	-1	0	255.273	0.757	20	30		CCEDRM
C#CCN(CC(=O)[O-])C(=O)CSCc1cccnc1	ZINC001588407661	958101061	/nfs/dbraw/zinc/10/10/61/958101061.db2.gz	TUBMMIDTYAFLJV-UHFFFAOYSA-N	-1	0	278.333	0.861	20	30		CCEDRM
C#CCN(CC(=O)[O-])C(=O)NCCOc1ncccc1F	ZINC001588408544	958113446	/nfs/dbraw/zinc/11/34/46/958113446.db2.gz	RFJNABOTVSUMDY-UHFFFAOYSA-N	-1	0	295.270	0.329	20	30		CCEDRM
C#CCN(CC(=O)[O-])C(=O)N[C@H](C)c1nnc2n1CCC2	ZINC001588409922	958134056	/nfs/dbraw/zinc/13/40/56/958134056.db2.gz	MMGXGBFFGBDVMF-SECBINFHSA-N	-1	0	291.311	0.015	20	30		CCEDRM
C#CCN(CC(=O)[O-])C(=O)Nc1cc(C2CC2)n(C)n1	ZINC001588410996	958143912	/nfs/dbraw/zinc/14/39/12/958143912.db2.gz	DKBIJONFIYYDTO-UHFFFAOYSA-N	-1	0	276.296	0.849	20	30		CCEDRM
C#CCN(CC(=O)[O-])C(=O)Nc1cccc(C(=O)OC)n1	ZINC001588412318	958150173	/nfs/dbraw/zinc/15/01/73/958150173.db2.gz	AZSBGHNMZJOADJ-UHFFFAOYSA-N	-1	0	291.263	0.420	20	30		CCEDRM
C#CCN(CC(=O)[O-])C(=O)Nc1ccnnc1OC	ZINC001588412774	958153575	/nfs/dbraw/zinc/15/35/75/958153575.db2.gz	KCIBNWKEGRRNTN-UHFFFAOYSA-N	-1	0	264.241	0.037	20	30		CCEDRM
C#CCN(CC(=O)[O-])C(=O)Nc1cccn(CC)c1=O	ZINC001588413335	958159309	/nfs/dbraw/zinc/15/93/09/958159309.db2.gz	ZEZOFRQBCORARO-UHFFFAOYSA-N	-1	0	277.280	0.420	20	30		CCEDRM
C#CCN(CC(=O)[O-])C(=O)c1c(C)cc(C)oc1=O	ZINC001588417477	958174136	/nfs/dbraw/zinc/17/41/36/958174136.db2.gz	QEMWFGBPPUAVTD-UHFFFAOYSA-N	-1	0	263.249	0.417	20	30		CCEDRM
C#CCN(CC(=O)[O-])C(=O)c1c(Cl)cnn1CC	ZINC001588417551	958175874	/nfs/dbraw/zinc/17/58/74/958175874.db2.gz	VNFPGHFWSUXIHA-UHFFFAOYSA-N	-1	0	269.688	0.716	20	30		CCEDRM
C#CCN(CC(=O)[O-])C(=O)c1cnc2cc[nH]c2c1	ZINC001588418578	958182511	/nfs/dbraw/zinc/18/25/11/958182511.db2.gz	MULXANDUJFAZTL-UHFFFAOYSA-N	-1	0	257.249	0.723	20	30		CCEDRM
C#CCN(CC(=O)[O-])C(=O)c1cccc(OC)c1[N+](=O)[O-]	ZINC001588419056	958191357	/nfs/dbraw/zinc/19/13/57/958191357.db2.gz	OAYXWFCWFFLHJP-UHFFFAOYSA-N	-1	0	292.247	0.763	20	30		CCEDRM
C#CCN(CC(=O)[O-])Cc1cc(C(F)(F)F)nn1C	ZINC001588424160	958214017	/nfs/dbraw/zinc/21/40/17/958214017.db2.gz	KLCRJENSXNESNG-UHFFFAOYSA-N	-1	0	275.230	0.959	20	30		CCEDRM
C#CCN(CC(=O)[O-])Cc1cc(-c2cnn(C)c2)no1	ZINC001588424458	958215200	/nfs/dbraw/zinc/21/52/00/958215200.db2.gz	RQPXEVMUXOLXRF-UHFFFAOYSA-N	-1	0	274.280	0.595	20	30		CCEDRM
C#CCN(CC(=O)[O-])S(=O)(=O)CC1(C#N)CCC1	ZINC001588425012	958221851	/nfs/dbraw/zinc/22/18/51/958221851.db2.gz	BVZACKGVKJBQOM-UHFFFAOYSA-N	-1	0	270.310	0.030	20	30		CCEDRM
C#CCN(CC(=O)[O-])c1nnc(-c2ccc(C#N)cc2)n1C	ZINC001588426643	958230334	/nfs/dbraw/zinc/23/03/34/958230334.db2.gz	ULNBVSGRFIBYAT-UHFFFAOYSA-N	-1	0	295.302	0.878	20	30		CCEDRM
C#CCN(CC(=O)[O-])c1nnc(Cc2ccnc(C)c2)n1C	ZINC001588426857	958235956	/nfs/dbraw/zinc/23/59/56/958235956.db2.gz	DUWYKKKZBJNRIK-UHFFFAOYSA-N	-1	0	299.334	0.634	20	30		CCEDRM
C#CCN1CCC[C@@H](NC(=O)N2CCC[C@@H](C(=O)[O-])C2)C1	ZINC001588430529	958257542	/nfs/dbraw/zinc/25/75/42/958257542.db2.gz	MXBCNXBLLNFOIX-CHWSQXEVSA-N	-1	0	293.367	0.590	20	30		CCEDRM
C=C(Br)COC(=O)COCC(=O)[O-]	ZINC001588439187	958313129	/nfs/dbraw/zinc/31/31/29/958313129.db2.gz	IRTJDQDKQZBPKT-UHFFFAOYSA-N	-1	0	253.048	0.539	20	30		CCEDRM
C#Cc1ccc(NC(=O)C(=O)N(C)CCC(=O)[O-])cc1	ZINC001588439309	958314609	/nfs/dbraw/zinc/31/46/09/958314609.db2.gz	SNVJWCRBWGLXPY-UHFFFAOYSA-N	-1	0	274.276	0.540	20	30		CCEDRM
C#Cc1cccc(N(C)[C@@H]2CCN(CC(=O)[O-])C2=O)c1	ZINC001588439329	958316177	/nfs/dbraw/zinc/31/61/77/958316177.db2.gz	SYVMZSUROSTBPM-CYBMUJFWSA-N	-1	0	272.304	0.790	20	30		CCEDRM
C=C(C)[C@H](C)OC(=O)[C@H]1CCCN(CC(=O)[O-])C1=O	ZINC001588439487	958320193	/nfs/dbraw/zinc/32/01/93/958320193.db2.gz	ORHVENSYVFMEDK-UWVGGRQHSA-N	-1	0	269.297	0.817	20	30		CCEDRM
C=C(C)CN(C)C(=O)C(=O)N1CC[C@H](C)[C@@H](C(=O)[O-])C1	ZINC001588442707	958348047	/nfs/dbraw/zinc/34/80/47/958348047.db2.gz	VJOHDLYUUJVSBG-QWRGUYRKSA-N	-1	0	282.340	0.590	20	30		CCEDRM
C=C(CO)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)[O-]	ZINC001588445769	958376852	/nfs/dbraw/zinc/37/68/52/958376852.db2.gz	RVIUGVKCOPAMRU-NSHDSACASA-N	-1	0	265.265	0.053	20	30		CCEDRM
C=C(Cl)COC(=O)C1(C(=O)[O-])CCS(=O)(=O)CC1	ZINC001588445938	958378697	/nfs/dbraw/zinc/37/86/97/958378697.db2.gz	WIJBZMYFKRQBJR-UHFFFAOYSA-N	-1	0	296.728	0.562	20	30		CCEDRM
C=CC(C)(C)NC(=O)C(=O)Nc1cncc(C(=O)[O-])c1	ZINC001588450233	958388638	/nfs/dbraw/zinc/38/86/38/958388638.db2.gz	AIOFLESNXYHKLR-UHFFFAOYSA-N	-1	0	277.280	0.799	20	30		CCEDRM
C=C[C@@](C)(O)CC(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)[O-]	ZINC001588451198	958407467	/nfs/dbraw/zinc/40/74/67/958407467.db2.gz	OTPGNPTZEHGKOT-SWLSCSKDSA-N	-1	0	293.319	0.831	20	30		CCEDRM
Cc1ccc(CNC(=O)c2cn(CC(=O)[O-])nn2)cc1C#N	ZINC001594360751	958444660	/nfs/dbraw/zinc/44/46/60/958444660.db2.gz	AJRLEANKMSUBLK-UHFFFAOYSA-N	-1	0	299.290	0.473	20	30		CCEDRM
C=CCCC[C@H](NC(=O)COCC(=O)[O-])C(=O)OC	ZINC001588458824	958467251	/nfs/dbraw/zinc/46/72/51/958467251.db2.gz	UEHIILNFATZKAN-VIFPVBQESA-N	-1	0	273.285	0.102	20	30		CCEDRM
C#CCN(CC(=O)[O-])C(=O)[C@@H]1C[C@H]1c1cnn(C)c1	ZINC001573318620	958467346	/nfs/dbraw/zinc/46/73/46/958467346.db2.gz	YVUYBHUNPOSZQR-WDEREUQCSA-N	-1	0	261.281	0.070	20	30		CCEDRM
C=CCCC[C@H](NC(=O)[C@@H]1CC(C(=O)[O-])=NO1)C(=O)OC	ZINC001588458870	958467513	/nfs/dbraw/zinc/46/75/13/958467513.db2.gz	WJEZEXVMKWBTOM-WPRPVWTQSA-N	-1	0	298.295	0.230	20	30		CCEDRM
C=CCCN(C)C(=O)C(=O)N(C)C[C@H](C)C(=O)[O-]	ZINC001588459748	958468331	/nfs/dbraw/zinc/46/83/31/958468331.db2.gz	BFSYGKVVPVRMHQ-VIFPVBQESA-N	-1	0	256.302	0.200	20	30		CCEDRM
C=CCCO[C@H](C)C(=O)N(CCC(=O)OC)CC(=O)[O-]	ZINC001588459985	958471397	/nfs/dbraw/zinc/47/13/97/958471397.db2.gz	PNGOSMHVIIYNDC-SNVBAGLBSA-N	-1	0	287.312	0.444	20	30		CCEDRM
C=CCN(CC=C)C(=O)C(=O)N1CC[C@H](C(=O)[O-])C1	ZINC001588463522	958486960	/nfs/dbraw/zinc/48/69/60/958486960.db2.gz	WZAOYJBYODUGTQ-JTQLQIEISA-N	-1	0	266.297	0.120	20	30		CCEDRM
C=CCOC[C@H](NC(=O)[C@@]1(C(=O)[O-])CC1(C)C)C(=O)OC	ZINC001588465047	958495005	/nfs/dbraw/zinc/49/50/05/958495005.db2.gz	FBTCPGGSGQAJLN-LKFCYVNXSA-N	-1	0	299.323	0.348	20	30		CCEDRM
C=CCSCCn1nnnc1N1CC[C@H](C(=O)[O-])C1	ZINC001588469419	958516401	/nfs/dbraw/zinc/51/64/01/958516401.db2.gz	GBDRHSHSWFXJND-VIFPVBQESA-N	-1	0	283.357	0.503	20	30		CCEDRM
C=CCn1c(N2CC[C@@H](C(=O)[O-])C2)nnc1C1(O)CC1	ZINC001588471868	958537127	/nfs/dbraw/zinc/53/71/27/958537127.db2.gz	FNEFLQDAMRHITL-SECBINFHSA-N	-1	0	278.312	0.356	20	30		CCEDRM
C[C@](C#N)(CC(=O)[O-])C(=O)N[C@@H]1CCC2(C1)OCCO2	ZINC001573364224	958612580	/nfs/dbraw/zinc/61/25/80/958612580.db2.gz	OGMSXYINNURLQC-BXKDBHETSA-N	-1	0	282.296	0.403	20	30		CCEDRM
C[C@](C#N)(CC(=O)[O-])C(=O)N1CC[C@H](N2CCCC2=O)C1	ZINC001588534974	958926326	/nfs/dbraw/zinc/92/63/26/958926326.db2.gz	LKJAMSCHKSYJBH-IINYFYTJSA-N	-1	0	293.323	0.214	20	30		CCEDRM
C[C@](C#N)(CC(=O)[O-])C(=O)N1CC([C@H]2CCOC2)C1	ZINC001588535881	958931876	/nfs/dbraw/zinc/93/18/76/958931876.db2.gz	RSLVQZUBRRCOFE-TVQRCGJNSA-N	-1	0	266.297	0.486	20	30		CCEDRM
C[C@](C#N)(CC(=O)[O-])C(=O)N[C@@H](CO)CC(F)F	ZINC001588538533	958943001	/nfs/dbraw/zinc/94/30/01/958943001.db2.gz	KCXIYALKVZXFJJ-LHLIQPBNSA-N	-1	0	264.228	0.123	20	30		CCEDRM
C[C@@](C#N)(CC(=O)[O-])C(=O)OCCO[C@H]1CCOC1	ZINC001588540231	958960262	/nfs/dbraw/zinc/96/02/62/958960262.db2.gz	SZLPVKBIBQZVTB-CABZTGNLSA-N	-1	0	271.269	0.340	20	30		CCEDRM
C[C@@](C#N)(CC(=O)[O-])C(=O)OCC(=O)c1cscn1	ZINC001588540259	958960478	/nfs/dbraw/zinc/96/04/78/958960478.db2.gz	UVENFCCDRXEWQP-NSHDSACASA-N	-1	0	282.277	0.874	20	30		CCEDRM
C[C@](C#N)(CC(=O)[O-])C(=O)OCCO[C@@H]1CCOC1	ZINC001588540230	958960545	/nfs/dbraw/zinc/96/05/45/958960545.db2.gz	SZLPVKBIBQZVTB-BXKDBHETSA-N	-1	0	271.269	0.340	20	30		CCEDRM
C[C@H](C#N)CNC(=O)C1(C(=O)[O-])CCSCC1	ZINC001588544076	958987070	/nfs/dbraw/zinc/98/70/70/958987070.db2.gz	YRXKNGNYDPINTP-MRVPVSSYSA-N	-1	0	256.327	0.860	20	30		CCEDRM
C[C@](C#N)(CC(=O)[O-])C(=O)NC[C@@H]1CN(C2CC2)C(=O)O1	ZINC001588557078	959063294	/nfs/dbraw/zinc/06/32/94/959063294.db2.gz	FUMXYKRYFCHTCG-NOZJJQNGSA-N	-1	0	295.295	0.090	20	30		CCEDRM
CSC1([C@@H](C#N)N(C)C(=O)COCC(=O)[O-])CC1	ZINC001594182045	959102938	/nfs/dbraw/zinc/10/29/38/959102938.db2.gz	WQLIATYEOMJJFK-MRVPVSSYSA-N	-1	0	272.326	0.334	20	30		CCEDRM
C#CC[C@@H](NC(=O)N(C)CC(F)(F)F)C(=O)[O-]	ZINC000161697225	959190503	/nfs/dbraw/zinc/19/05/03/959190503.db2.gz	CFNNYLFPIYUWTE-ZCFIWIBFSA-N	-1	0	252.192	0.667	20	30		CCEDRM
C=C(C)CCN1CCS(=O)(=O)C[C@H]1CC(=O)[O-]	ZINC000164465188	959258454	/nfs/dbraw/zinc/25/84/54/959258454.db2.gz	RYAMSPDIQYKNGU-SNVBAGLBSA-N	-1	0	261.343	0.526	20	30		CCEDRM
C[C@@H](NS(=O)(=O)Cc1csc(C#N)c1)C(=O)[O-]	ZINC001594208639	959281467	/nfs/dbraw/zinc/28/14/67/959281467.db2.gz	HFMGROVKHMQBAK-ZCFIWIBFSA-N	-1	0	274.323	0.512	20	30		CCEDRM
C[C@@H](C(=O)[O-])N(C(=O)c1cc(C#N)cn1C)C1CC1	ZINC001588589000	959329491	/nfs/dbraw/zinc/32/94/91/959329491.db2.gz	AFNOUEVBGBODHW-QMMMGPOBSA-N	-1	0	261.281	0.974	20	30		CCEDRM
Cc1nc([C@H](C)OC(=O)[C@@](C)(C#N)CC(=O)[O-])no1	ZINC001594449652	959353370	/nfs/dbraw/zinc/35/33/70/959353370.db2.gz	GFZIBTRIUVTHRL-UPONEAKYSA-N	-1	0	267.241	0.987	20	30		CCEDRM
COC(=O)CC[C@@H](NC(=O)c1cccc(C#N)c1)C(=O)[O-]	ZINC000168775308	959391381	/nfs/dbraw/zinc/39/13/81/959391381.db2.gz	ALXTTXZIGMLTSW-LLVKDONJSA-N	-1	0	290.275	0.694	20	30		CCEDRM
C[C@H](NC(=O)N[C@@H](CC#N)C(F)(F)F)C(=O)[O-]	ZINC001594235293	959507186	/nfs/dbraw/zinc/50/71/86/959507186.db2.gz	HOTKYQBTIAJTGH-WHFBIAKZSA-N	-1	0	253.180	0.603	20	30		CCEDRM
CC(C)(C(=O)[O-])C(=O)OCC(=O)N[C@@](C)(C#N)C1CC1	ZINC001588618778	959536570	/nfs/dbraw/zinc/53/65/70/959536570.db2.gz	ZSBXASKZDIRZOJ-ZDUSSCGKSA-N	-1	0	282.296	0.449	20	30		CCEDRM
Cc1[nH]c(C#N)cc1C(=O)N(CC(=O)[O-])C1CCOCC1	ZINC001594248205	959600087	/nfs/dbraw/zinc/60/00/87/959600087.db2.gz	XHWLTHZLOMOWAM-UHFFFAOYSA-N	-1	0	291.307	0.901	20	30		CCEDRM
C[C@@]1(C#N)CN(C(=O)Nc2cncc(C(=O)[O-])c2)CCO1	ZINC001573643790	959629145	/nfs/dbraw/zinc/62/91/45/959629145.db2.gz	RSUGFGGEPWKWAK-CYBMUJFWSA-N	-1	0	290.279	0.926	20	30		CCEDRM
Cc1c(C(=O)NC[C@@H](C)C(=O)[O-])cnn1CCC#N	ZINC001594257175	959660752	/nfs/dbraw/zinc/66/07/52/959660752.db2.gz	GABKPEOZRCGQQC-MRVPVSSYSA-N	-1	0	264.285	0.556	20	30		CCEDRM
CN([C@@H]1CCN(CC(=O)[O-])C1=O)[C@H]1CCC[C@H]1C#N	ZINC001604101981	972503744	/nfs/dbraw/zinc/50/37/44/972503744.db2.gz	FPSUHICNZYIEQL-GARJFASQSA-N	-1	0	265.313	0.296	20	30		CCEDRM
N#Cc1sccc1S(=O)(=O)N[C@H]1CC[C@H]1C(=O)[O-]	ZINC001571029437	960457990	/nfs/dbraw/zinc/45/79/90/960457990.db2.gz	MWVWNTUDCSCJBY-RQJHMYQMSA-N	-1	0	286.334	0.761	20	30		CCEDRM
N#Cc1c[n-]n2c1nc(C[NH2+][C@@H](C(=O)[O-])C1CC1)cc2=O	ZINC001571029455	960459682	/nfs/dbraw/zinc/45/96/82/960459682.db2.gz	NJNJYSZGECNQLC-LLVKDONJSA-N	-1	0	287.279	0.259	20	30		CCEDRM
N#CC[C@@H](C(=O)N1CCO[C@H](C(=O)[O-])C1)c1ccccc1	ZINC001574241505	960465380	/nfs/dbraw/zinc/46/53/80/960465380.db2.gz	MTBXXKKUZBKQGC-OLZOCXBDSA-N	-1	0	288.303	0.996	20	30		CCEDRM
C[C@@]1(C#N)CN(C(=O)Nc2cccc(C(=O)[O-])n2)CCO1	ZINC001571036726	960546366	/nfs/dbraw/zinc/54/63/66/960546366.db2.gz	ZZPSVOPCDNIYFZ-CYBMUJFWSA-N	-1	0	290.279	0.926	20	30		CCEDRM
N#Cc1cc(C(=O)NCCn2cc(C(=O)[O-])nn2)cs1	ZINC001571041284	960580737	/nfs/dbraw/zinc/58/07/37/960580737.db2.gz	JHDFWFZXQRLFQD-UHFFFAOYSA-N	-1	0	291.292	0.339	20	30		CCEDRM
C[C@@H]1CN(c2ccc(C(=O)[O-])nc2C#N)CCS1(=O)=O	ZINC001571054654	960708006	/nfs/dbraw/zinc/70/80/06/960708006.db2.gz	JFKASUGWHWXQPK-MRVPVSSYSA-N	-1	0	295.320	0.275	20	30		CCEDRM
C[C@H](NC(=O)[C@H](C)NC(=O)c1cscc1C#N)C(=O)[O-]	ZINC001571055050	960712315	/nfs/dbraw/zinc/71/23/15/960712315.db2.gz	OACHKCJZCDANMT-BQBZGAKWSA-N	-1	0	295.320	0.327	20	30		CCEDRM
C[C@@H](NC(=O)N1CCC(C#N)(C(=O)[O-])CC1)[C@@H]1CCOC1	ZINC001571056231	960731303	/nfs/dbraw/zinc/73/13/03/960731303.db2.gz	RWONUEWOLWLMPF-GHMZBOCLSA-N	-1	0	295.339	0.811	20	30		CCEDRM
N#Cc1nc(C(=O)[O-])ccc1NCc1ccc(C(N)=O)nc1	ZINC001571061349	960764577	/nfs/dbraw/zinc/76/45/77/960764577.db2.gz	IRWCEPLFTDZERX-UHFFFAOYSA-N	-1	0	297.274	0.757	20	30		CCEDRM
CC(C)(CC#N)COC(=O)[C@H]1CCCN(CC(=O)[O-])C1=O	ZINC001588755017	961218853	/nfs/dbraw/zinc/21/88/53/961218853.db2.gz	XPLPJDJPXAQVBO-JTQLQIEISA-N	-1	0	296.323	0.793	20	30		CCEDRM
Cc1nc([C@@H]2CCN(C(=O)[C@](C)(C#N)CC(=O)[O-])C2)no1	ZINC001574417958	961335921	/nfs/dbraw/zinc/33/59/21/961335921.db2.gz	ZIRNQMXZXRHHDY-RNCFNFMXSA-N	-1	0	292.295	0.699	20	30		CCEDRM
CC(C)[C@@H](C(=O)[O-])C(=O)OCc1ncc(C#N)cn1	ZINC001588812987	961534338	/nfs/dbraw/zinc/53/43/38/961534338.db2.gz	IKFJQPFCBCUZLJ-JTQLQIEISA-N	-1	0	263.253	0.748	20	30		CCEDRM
CC(C)[C@@H](CNC(=O)C(=O)N1CCC[C@H](C#N)C1)C(=O)[O-]	ZINC001588815401	961567731	/nfs/dbraw/zinc/56/77/31/961567731.db2.gz	OYIVCCBZQANSCJ-GHMZBOCLSA-N	-1	0	295.339	0.222	20	30		CCEDRM
N#C[C@H]1CN(C(=O)[C@H]2CC[C@H]2C(=O)[O-])CCN1C1CC1	ZINC001574480604	961665574	/nfs/dbraw/zinc/66/55/74/961665574.db2.gz	NABXAQAGBUWSGT-SDDRHHMPSA-N	-1	0	277.324	0.296	20	30		CCEDRM
N#CC[C@H](NC(=O)c1cc(C(=O)[O-])n[nH]1)C(F)(F)F	ZINC001574481282	961671856	/nfs/dbraw/zinc/67/18/56/961671856.db2.gz	YEAAEGRIKKMERK-LURJTMIESA-N	-1	0	276.174	0.682	20	30		CCEDRM
N#Cc1cc(N[C@@H]2CCCCN(CC(=O)[O-])C2=O)ncn1	ZINC001574486268	961683599	/nfs/dbraw/zinc/68/35/99/961683599.db2.gz	TZPVHNJVQRQSLQ-SNVBAGLBSA-N	-1	0	289.295	0.226	20	30		CCEDRM
N#Cc1ccc(CNC(=O)c2cc(C(=O)[O-])n[nH]2)s1	ZINC001574489059	961701515	/nfs/dbraw/zinc/70/15/15/961701515.db2.gz	XVCLEUWRBRBVHS-UHFFFAOYSA-N	-1	0	276.277	0.971	20	30		CCEDRM
N#Cc1csc(CN2C[C@H]3COC[C@@]3(C(=O)[O-])C2)n1	ZINC001574493508	961720445	/nfs/dbraw/zinc/72/04/45/961720445.db2.gz	MPFVXBLEDIXXFN-UFBFGSQYSA-N	-1	0	279.321	0.548	20	30		CCEDRM
CC(C)C[C@@H](C#N)NC(=O)c1cc(C(=O)[O-])nn1C	ZINC001588846062	961869216	/nfs/dbraw/zinc/86/92/16/961869216.db2.gz	XOWYICXKUFRPLQ-QMMMGPOBSA-N	-1	0	264.285	0.786	20	30		CCEDRM
CC(C)CCN(CCC#N)[C@@H]1CCN(CC(=O)[O-])C1=O	ZINC001588868017	962037527	/nfs/dbraw/zinc/03/75/27/962037527.db2.gz	SJAWYGLBEHKKJF-GFCCVEGCSA-N	-1	0	281.356	0.934	20	30		CCEDRM
COC(=O)[C@@H]1CC[C@@H]1NC(=O)[C@](C)(C#N)CC(=O)[O-]	ZINC001574076652	962269523	/nfs/dbraw/zinc/26/95/23/962269523.db2.gz	MEGHHMZXJMRCPW-LWINAJNOSA-N	-1	0	268.269	0.059	20	30		CCEDRM
CC(C)N(CCC#N)C(=O)c1cc(C(=O)[O-])nn1C	ZINC001588918685	962357346	/nfs/dbraw/zinc/35/73/46/962357346.db2.gz	ATWYDLMAGCUMNZ-UHFFFAOYSA-N	-1	0	264.285	0.883	20	30		CCEDRM
COC[C@@]1(C(=O)[O-])CCN(c2cnc(C#N)c(C#N)n2)C1	ZINC001574142285	962586928	/nfs/dbraw/zinc/58/69/28/962586928.db2.gz	UZPYSPNBUSWPEC-CYBMUJFWSA-N	-1	0	287.279	0.147	20	30		CCEDRM
C#CC[C@H](NC(=O)Cc1cc(F)ccc1O)C(=O)[O-]	ZINC001573301841	962638267	/nfs/dbraw/zinc/63/82/67/962638267.db2.gz	GCJXTQAFTCFURI-JTQLQIEISA-N	-1	0	265.240	0.667	20	30		CCEDRM
C#C[C@@H](CO)NC(=O)Nc1cccc(NC(=O)[O-])c1	ZINC001573302106	962644827	/nfs/dbraw/zinc/64/48/27/962644827.db2.gz	IYGVDLNLBPZYRE-QMMMGPOBSA-N	-1	0	263.253	0.892	20	30		CCEDRM
C#CC[C@@H](NC(=O)c1cc(-c2ccco2)n[nH]1)C(=O)[O-]	ZINC001573302808	962663367	/nfs/dbraw/zinc/66/33/67/962663367.db2.gz	GLLHBDLWKKKZMI-MRVPVSSYSA-N	-1	0	273.248	0.876	20	30		CCEDRM
C=C(CCC(=O)[O-])C(=O)N1CCC[C@H](c2nnc[nH]2)C1	ZINC001573331777	962816988	/nfs/dbraw/zinc/81/69/88/962816988.db2.gz	AMTBFVPQRMIBNP-JTQLQIEISA-N	-1	0	278.312	0.932	20	30		CCEDRM
C=C(CCC(=O)[O-])C(=O)N[C@](C)(CC)C(=O)OC	ZINC001573331872	962818151	/nfs/dbraw/zinc/81/81/51/962818151.db2.gz	CVTFMPBHTNPCTA-GFCCVEGCSA-N	-1	0	257.286	0.865	20	30		CCEDRM
C#CC[C@H](NS(=O)(=O)c1ccc(F)c(C)c1)C(=O)[O-]	ZINC000275069273	962821041	/nfs/dbraw/zinc/82/10/41/962821041.db2.gz	WFBXIMUCFPOESM-NSHDSACASA-N	-1	0	285.296	0.889	20	30		CCEDRM
C=C(CCC(=O)[O-])C(=O)N1CC[C@H](CN2CCCC2=O)C1	ZINC001573332000	962821912	/nfs/dbraw/zinc/82/19/12/962821912.db2.gz	GPZIDLVBKBXQBS-GFCCVEGCSA-N	-1	0	294.351	0.878	20	30		CCEDRM
C=C(CCC(=O)[O-])C(=O)N1CC[C@@H](COCCOC)C1	ZINC001573332192	962827554	/nfs/dbraw/zinc/82/75/54/962827554.db2.gz	KHJKPAXBNXAOIM-GFCCVEGCSA-N	-1	0	285.340	0.919	20	30		CCEDRM
C=C(CCC(=O)[O-])C(=O)NCC[C@@]1(O)CCCOC1	ZINC001573333313	962856636	/nfs/dbraw/zinc/85/66/36/962856636.db2.gz	YKSKOFKFLFVKHA-ZDUSSCGKSA-N	-1	0	271.313	0.455	20	30		CCEDRM
C=C(Cl)CN1CCN(C(=O)CNC(=O)[O-])CC1	ZINC001573339596	962891006	/nfs/dbraw/zinc/89/10/06/962891006.db2.gz	UGROQGDDSNFCBD-UHFFFAOYSA-N	-1	0	261.709	0.151	20	30		CCEDRM
C=C(CCC(=O)OC)C(=O)N1CC[C@@H](C(=O)[O-])[C@@H]1C	ZINC001573339451	962891469	/nfs/dbraw/zinc/89/14/69/962891469.db2.gz	SRBRZVOFBUKIPW-VHSXEESVSA-N	-1	0	269.297	0.817	20	30		CCEDRM
C=C[C@H](CC)CC(=O)NCCNc1ccnc(C(=O)[O-])n1	ZINC001573346575	962940587	/nfs/dbraw/zinc/94/05/87/962940587.db2.gz	CTEAAHLAHGAWOS-SNVBAGLBSA-N	-1	0	292.339	0.727	20	30		CCEDRM
C=CC(C)(C)C(=O)N[C@H](C)CNc1ccnc(C(=O)[O-])n1	ZINC001573347075	962945178	/nfs/dbraw/zinc/94/51/78/962945178.db2.gz	IQRGTRAJNDKCKD-SECBINFHSA-N	-1	0	292.339	0.726	20	30		CCEDRM
COc1ccc(NC(=O)[C@H]2CC(C(=O)[O-])=NO2)cc1C#N	ZINC001574217655	962946955	/nfs/dbraw/zinc/94/69/55/962946955.db2.gz	YKJDRLPRRZSXCI-LLVKDONJSA-N	-1	0	289.247	0.735	20	30		CCEDRM
C=CCC(C)(C)C(=O)N1CC[C@H]1CNC(=O)CNC(=O)[O-]	ZINC001573351238	962976379	/nfs/dbraw/zinc/97/63/79/962976379.db2.gz	RDPAKXOJMKXVNL-JTQLQIEISA-N	-1	0	297.355	0.573	20	30		CCEDRM
C=CCCC(=O)N[C@H]1C[C@@H](Nc2ccnc(C(=O)[O-])n2)C1	ZINC001573353406	963000277	/nfs/dbraw/zinc/00/02/77/963000277.db2.gz	UTVOLOJGIJCOLL-AOOOYVTPSA-N	-1	0	290.323	0.622	20	30		CCEDRM
C[C@H](C(=O)Nc1ccc(C(=O)[O-])cn1)n1cnc(C#N)n1	ZINC001573363005	963046311	/nfs/dbraw/zinc/04/63/11/963046311.db2.gz	IFJHNANKRXTQLA-SSDOTTSWSA-N	-1	0	286.251	0.443	20	30		CCEDRM
C#CC[C@H](NC(=O)c1cncc(Cl)c1)C(=O)[O-]	ZINC000307859853	963234567	/nfs/dbraw/zinc/23/45/67/963234567.db2.gz	ULGHWEMNXKCNFM-VIFPVBQESA-N	-1	0	252.657	0.941	20	30		CCEDRM
Cc1[nH]c(C#N)cc1C(=O)N1CCOC[C@H]1CC(=O)[O-]	ZINC001571005931	963248002	/nfs/dbraw/zinc/24/80/02/963248002.db2.gz	JVTJNYOVQSJTEP-SNVBAGLBSA-N	-1	0	277.280	0.511	20	30		CCEDRM
C#CCCCC(=O)N1CC[C@H](C(=O)OC)C[C@H]1C(=O)[O-]	ZINC001588435424	964022996	/nfs/dbraw/zinc/02/29/96/964022996.db2.gz	PPWOGIORPXHLQP-QWRGUYRKSA-N	-1	0	281.308	0.655	20	30		CCEDRM
C#CCC[C@H](O)CNS(=O)(=O)c1occc1C(=O)[O-]	ZINC001588435730	964026650	/nfs/dbraw/zinc/02/66/50/964026650.db2.gz	XYLHTGQLDKZMOI-QMMMGPOBSA-N	-1	0	287.293	0.030	20	30		CCEDRM
C#CCCCC(=O)O[C@H]1CCN(CCC(=O)[O-])C1=O	ZINC001588440449	964038168	/nfs/dbraw/zinc/03/81/68/964038168.db2.gz	UUNCWQRFVUBYEV-JTQLQIEISA-N	-1	0	267.281	0.409	20	30		CCEDRM
C#CCCCCNC(=O)C(=O)N1CCC[C@@H]1CC(=O)[O-]	ZINC001588441519	964053103	/nfs/dbraw/zinc/05/31/03/964053103.db2.gz	HRKYNFOVDAYUFR-LLVKDONJSA-N	-1	0	280.324	0.372	20	30		CCEDRM
C=C(C)Cn1nnnc1N1CCC[C@@]1(C)C(=O)[O-]	ZINC001588444915	964065425	/nfs/dbraw/zinc/06/54/25/964065425.db2.gz	YSHQBABONAEFGW-NSHDSACASA-N	-1	0	251.290	0.693	20	30		CCEDRM
C#C[C@@H](C)N(C)C(=O)C(=O)Nc1ccc(C(=O)[O-])cc1F	ZINC001609623794	970422236	/nfs/dbraw/zinc/42/22/36/970422236.db2.gz	CUNPRHJEVIQGAV-MRVPVSSYSA-N	-1	0	292.266	0.943	20	30		CCEDRM
C[C@@](C#N)(CC(=O)[O-])C(=O)N1CCc2nc[nH]c(=O)c2C1	ZINC001609691366	970447618	/nfs/dbraw/zinc/44/76/18/970447618.db2.gz	KZCNBHVOCALXIX-ZDUSSCGKSA-N	-1	0	290.279	0.071	20	30		CCEDRM
C[C@](C#N)(CC(=O)[O-])C(=O)N[C@H](CO)C1CCCC1	ZINC001609691361	970447845	/nfs/dbraw/zinc/44/78/45/970447845.db2.gz	KVYNWXVCYITBLZ-ZWNOBZJWSA-N	-1	0	268.313	0.658	20	30		CCEDRM
C[C@@](C#N)(CC(=O)[O-])C(=O)N[C@H](CO)C1CCCC1	ZINC001609691359	970448058	/nfs/dbraw/zinc/44/80/58/970448058.db2.gz	KVYNWXVCYITBLZ-MFKMUULPSA-N	-1	0	268.313	0.658	20	30		CCEDRM
C[C@@H](OC(=O)[C@@H](C)C(=O)[O-])C(=O)NC1(C#N)CCC1	ZINC001609982689	970630059	/nfs/dbraw/zinc/63/00/59/970630059.db2.gz	JJSMNFXWDVNTTA-JGVFFNPUSA-N	-1	0	268.269	0.201	20	30		CCEDRM
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CC[C@H](NC(=O)[C@](C)(C#N)CC(=O)[O-])C(OC)OC	ZINC001610133285	970680417	/nfs/dbraw/zinc/68/04/17/970680417.db2.gz	LJSCPCBYBUTEIS-UFBFGSQYSA-N	-1	0	272.301	0.505	20	30		CCEDRM
C[C@]1(C#N)CCN(C(=O)[C@H]2CCCN(CC(=O)[O-])C2=O)C1	ZINC001603290949	972550760	/nfs/dbraw/zinc/55/07/60/972550760.db2.gz	ZZQNIDFOCBOXRI-IINYFYTJSA-N	-1	0	293.323	0.072	20	30		CCEDRM
C[C@@H]1C[C@@]1(C(=O)[O-])C(=O)N1CCO[C@@](C)(C#N)C1	ZINC001605020757	972627672	/nfs/dbraw/zinc/62/76/72/972627672.db2.gz	MJSRVMLBZVUJKD-ZHAHWJHGSA-N	-1	0	252.270	0.238	20	30		CCEDRM
C[C@](C#N)(CC(=O)[O-])C(=O)NC[C@@H]1CC(C)(C)CO1	ZINC001603334168	972701275	/nfs/dbraw/zinc/70/12/75/972701275.db2.gz	NIDXTPZOEKEIFI-TVQRCGJNSA-N	-1	0	268.313	0.922	20	30		CCEDRM
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CO[C@@H](C(=O)[O-])C(=O)N[C@@H]1CCc2cc(C#N)ccc21	ZINC001604423897	973203264	/nfs/dbraw/zinc/20/32/64/973203264.db2.gz	JLUUNZNPDCELKS-VXGBXAGGSA-N	-1	0	274.276	0.761	20	30		CCEDRM
CO[C@](C)(C(=O)[O-])C(=O)[C@@H](C#N)c1nccn1C	ZINC001604450824	973279449	/nfs/dbraw/zinc/27/94/49/973279449.db2.gz	NARYNJHELINCRC-HQJQHLMTSA-N	-1	0	251.242	0.086	20	30		CCEDRM
CC[C@@](C)(C#N)NC(=O)c1cc(C(=O)[O-])nn1C	ZINC001603504636	973481320	/nfs/dbraw/zinc/48/13/20/973481320.db2.gz	HPUWUBVQTQWZGK-NSHDSACASA-N	-1	0	250.258	0.540	20	30		CCEDRM
CC[C@H](C)Cn1c(=O)c(C#N)cn(CC(=O)[O-])c1=O	ZINC001603513084	973516880	/nfs/dbraw/zinc/51/68/80/973516880.db2.gz	VRJOSHAKHMNXLQ-QMMMGPOBSA-N	-1	0	265.269	0.012	20	30		CCEDRM
COC[C@@H]1CN(C(=O)[C@](C)(C#N)CC(=O)[O-])C[C@H](C)O1	ZINC001604567167	973642359	/nfs/dbraw/zinc/64/23/59/973642359.db2.gz	IRXWEWZBWYBARC-KWBADKCTSA-N	-1	0	284.312	0.253	20	30		CCEDRM
Cn1nc2c(c1C=NNCCC(=O)[O-])CSCC2	ZINC001605553730	973774481	/nfs/dbraw/zinc/77/44/81/973774481.db2.gz	UOOSCKXXHDBNCD-UHFFFAOYSA-N	-1	0	268.342	0.608	20	30		CCEDRM
N#C[C@]1(F)CCN(C(=O)c2cc(C(=O)[O-])n[nH]2)C1	ZINC001605582829	973867373	/nfs/dbraw/zinc/86/73/73/973867373.db2.gz	FHNRCWYEXBLUFX-SNVBAGLBSA-N	-1	0	252.205	0.186	20	30		CCEDRM
N#CC1(Cn2cc(CN3CCC[C@@H]3C(=O)[O-])nn2)CC1	ZINC001605583220	973872197	/nfs/dbraw/zinc/87/21/97/973872197.db2.gz	OMAHYHWILKCXEZ-LLVKDONJSA-N	-1	0	275.312	0.631	20	30		CCEDRM
N#Cc1ccc(C(=O)N(CCC(=O)[O-])C2CCOCC2)[nH]1	ZINC001605597162	973896440	/nfs/dbraw/zinc/89/64/40/973896440.db2.gz	DEMZGUNNLDFWNL-UHFFFAOYSA-N	-1	0	291.307	0.982	20	30		CCEDRM
N#Cc1ccc(NCC(=O)Nc2cc(C(=O)[O-])n[nH]2)nc1	ZINC001605613285	973931963	/nfs/dbraw/zinc/93/19/63/973931963.db2.gz	YPHLIEQYSODXPQ-UHFFFAOYSA-N	-1	0	286.251	0.425	20	30		CCEDRM
N#Cc1nccc(N[C@H](Cc2ccccc2)C(=O)[O-])n1	ZINC001605625884	973949821	/nfs/dbraw/zinc/94/98/21/973949821.db2.gz	CFVUGWJKNCJFKJ-LLVKDONJSA-N	-1	0	268.276	0.878	20	30		CCEDRM
O=C([O-])[C@@]12COC[C@@H]1CN(C(=O)C#Cc1cccs1)C2	ZINC001605661000	974064556	/nfs/dbraw/zinc/06/45/56/974064556.db2.gz	ZDVZTAHYMGAUTR-HZMBPMFUSA-N	-1	0	291.328	0.659	20	30		CCEDRM
CC(C)[C@H](C#N)NS(=O)(=O)c1cc(C(=O)[O-])n(C)c1	ZINC001591852305	976135034	/nfs/dbraw/zinc/13/50/34/976135034.db2.gz	IMYFPLOQOBHOIL-VIFPVBQESA-N	-1	0	285.325	0.550	20	30		CCEDRM
C[C@@H](/C=C/C(=O)[O-])NC(=O)C1(C#N)CCOCC1	ZINC001592191697	977135507	/nfs/dbraw/zinc/13/55/07/977135507.db2.gz	CMPBDYDIIJYJCR-HPOULIHZSA-N	-1	0	252.270	0.452	20	30		CCEDRM
C[C@@H](CC#N)C(=O)N[C@](C)(Cn1cccn1)C(=O)[O-]	ZINC001592211686	977263321	/nfs/dbraw/zinc/26/33/21/977263321.db2.gz	MNLATGRGCDUXMB-JOYOIKCWSA-N	-1	0	264.285	0.392	20	30		CCEDRM
C[C@@H](CC#N)N(C)CC(=O)Nc1nc(CC(=O)[O-])cs1	ZINC001592221346	977397530	/nfs/dbraw/zinc/39/75/30/977397530.db2.gz	CDTFXHDOPLORJG-QMMMGPOBSA-N	-1	0	296.352	0.943	20	30		CCEDRM
C[C@H](CC(=O)N(CC#N)CC(=O)[O-])[C@H]1CCCO1	ZINC001592226318	977417381	/nfs/dbraw/zinc/41/73/81/977417381.db2.gz	WTPRYRVNWGHZGD-NXEZZACHSA-N	-1	0	254.286	0.628	20	30		CCEDRM
CC[C@H](CC#N)NS(=O)(=O)c1ccc(C(=O)[O-])nc1	ZINC001595030219	979164866	/nfs/dbraw/zinc/16/48/66/979164866.db2.gz	LTHBOZALJSVFEL-MRVPVSSYSA-N	-1	0	283.309	0.750	20	30		CCEDRM
CC[C@@H](CNC(=O)c1cccc(C#CCO)c1)C(=O)[O-]	ZINC001595163961	979704268	/nfs/dbraw/zinc/70/42/68/979704268.db2.gz	FTGGKUATTHRXKS-LBPRGKRZSA-N	-1	0	275.304	0.871	20	30		CCEDRM
C[C@](Cn1cccn1)(NC(=O)c1ccc(C#N)o1)C(=O)[O-]	ZINC001592925028	979938039	/nfs/dbraw/zinc/93/80/39/979938039.db2.gz	QGMRBCFBXXLUHF-CYBMUJFWSA-N	-1	0	288.263	0.621	20	30		CCEDRM
CC[C@H](NC(=O)Cc1noc(C)c1C#N)C(=O)[O-]	ZINC001595245825	980179265	/nfs/dbraw/zinc/17/92/65/980179265.db2.gz	LABWELGHJSAZQP-QMMMGPOBSA-N	-1	0	251.242	0.377	20	30		CCEDRM
CC/C=C/[C@H](OC(=O)[C@H](C)n1cnc(C#N)n1)C(=O)[O-]	ZINC001595514697	981316850	/nfs/dbraw/zinc/31/68/50/981316850.db2.gz	MKXXHMXQVUKDIT-HXQNXIEXSA-N	-1	0	278.268	0.673	20	30		CCEDRM
CC[C@](C)(C#N)C(=O)OCC(=O)C1(C(=O)[O-])CC1	ZINC001594778452	981776730	/nfs/dbraw/zinc/77/67/30/981776730.db2.gz	SBEQJJALPHLXCV-LLVKDONJSA-N	-1	0	253.254	0.903	20	30		CCEDRM
CCCCCC[C@@](O)(CN1CCO[C@@H](C#N)C1)C(=O)[O-]	ZINC001595696503	982230148	/nfs/dbraw/zinc/23/01/48/982230148.db2.gz	JTSVLUBHDNQIPM-GXTWGEPZSA-N	-1	0	284.356	0.997	20	30		CCEDRM
COC(=O)c1ccc(SCC(=O)[O-])c(C#N)n1	ZINC001574576560	983259243	/nfs/dbraw/zinc/25/92/43/983259243.db2.gz	AJHCIMZZWRNDHT-UHFFFAOYSA-N	-1	0	252.251	0.917	20	30		CCEDRM
C#C[C@@](C)(CC)NS(=O)(=O)CC1(CC(=O)[O-])CC1	ZINC001588367260	983297783	/nfs/dbraw/zinc/29/77/83/983297783.db2.gz	NEXUODXCMBCUEN-NSHDSACASA-N	-1	0	273.354	0.963	20	30		CCEDRM
C#C[C@H](C)N(C)Cn1nc(C(=O)[O-])cc1C(=O)OC	ZINC001588367771	983300865	/nfs/dbraw/zinc/30/08/65/983300865.db2.gz	BJJIXBSUQZFGQC-QMMMGPOBSA-N	-1	0	265.269	0.279	20	30		CCEDRM
C#C[C@@H](NC(=O)N1C[C@H](C)[C@@](C)(C(=O)[O-])C1)[C@@H]1CCCO1	ZINC001588372348	983330055	/nfs/dbraw/zinc/33/00/55/983330055.db2.gz	ILPRTWOWRRWDRP-OXIQGZBJSA-N	-1	0	294.351	0.919	20	30		CCEDRM
C#C[C@H](NC(=O)NCC(C)(C)C(=O)[O-])[C@H]1CCCO1	ZINC001588372370	983330514	/nfs/dbraw/zinc/33/05/14/983330514.db2.gz	JDGQMJRRUZREHD-VHSXEESVSA-N	-1	0	268.313	0.577	20	30		CCEDRM
C#C[C@@H](NC(=O)N1CC[C@@H](C(=O)[O-])[C@@H](C)C1)[C@H]1CCCO1	ZINC001588372778	983333496	/nfs/dbraw/zinc/33/34/96/983333496.db2.gz	SJWHJVKDGVYHKI-UMSGYPCISA-N	-1	0	294.351	0.919	20	30		CCEDRM
C#C[C@@H](NS(=O)(=O)c1c[nH]c(C(=O)[O-])c1)[C@@H]1CCCO1	ZINC001588376033	983349477	/nfs/dbraw/zinc/34/94/77/983349477.db2.gz	AQFKVKUWFDMAFS-KOLCDFICSA-N	-1	0	298.320	0.172	20	30		CCEDRM
C#C[C@@H]1CCCN(Cn2nc(C(=O)OC)cc2C(=O)[O-])C1	ZINC001588383140	983377960	/nfs/dbraw/zinc/37/79/60/983377960.db2.gz	OHLCTAJNAFENAG-SNVBAGLBSA-N	-1	0	291.307	0.671	20	30		CCEDRM
C#C[C@@H]1CCCN(CC(=O)N[C@H](C(=O)[O-])[C@@H](C)CC)C1	ZINC001588383441	983381416	/nfs/dbraw/zinc/38/14/16/983381416.db2.gz	ZNZNXTCGEQAUJV-SCRDCRAPSA-N	-1	0	280.368	0.947	20	30		CCEDRM
C#CCC(C)(C)C(=O)NC[C@H]1CCO[C@H]1C(=O)[O-]	ZINC001588383534	983382128	/nfs/dbraw/zinc/38/21/28/983382128.db2.gz	CONBYDZGOIACKP-NXEZZACHSA-N	-1	0	253.298	0.642	20	30		CCEDRM
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C#CC[C@@H](CCOC)NC(=O)N[C@H]1CC=C(C(=O)[O-])C1	ZINC001588394807	983403788	/nfs/dbraw/zinc/40/37/88/983403788.db2.gz	PNBINRKLZXPHKI-RYUDHWBXSA-N	-1	0	280.324	0.887	20	30		CCEDRM
C#CC[C@@H](COC)OC(=O)c1cc(C(=O)[O-])ccn1	ZINC001588395865	983406868	/nfs/dbraw/zinc/40/68/68/983406868.db2.gz	UOBBXCFHDIAWMZ-JTQLQIEISA-N	-1	0	263.249	0.975	20	30		CCEDRM
C#CC[C@H](NC(=O)CC(F)(F)C(F)F)C(=O)[O-]	ZINC001588406295	983425221	/nfs/dbraw/zinc/42/52/21/983425221.db2.gz	OJLFSKVOSKHJTA-YFKPBYRVSA-N	-1	0	255.167	0.870	20	30		CCEDRM
C#CC[C@H](NC(=O)c1ccccc1Cn1cncn1)C(=O)[O-]	ZINC001588416917	983437911	/nfs/dbraw/zinc/43/79/11/983437911.db2.gz	SRHWKCIMZONAEY-ZDUSSCGKSA-N	-1	0	298.302	0.533	20	30		CCEDRM
C#CC[C@@H](NC(=O)c1cn(C)nc1C1CCC1)C(=O)[O-]	ZINC001588417086	983438142	/nfs/dbraw/zinc/43/81/42/983438142.db2.gz	XDLDPBFVWJOGAK-LLVKDONJSA-N	-1	0	275.308	0.894	20	30		CCEDRM
C#CC[C@@H](NC(=O)c1cccc2c1OCO2)C(=O)[O-]	ZINC001588417182	983439002	/nfs/dbraw/zinc/43/90/02/983439002.db2.gz	ZOYVFOZJOISDKB-SECBINFHSA-N	-1	0	261.233	0.622	20	30		CCEDRM
C#CC[C@H](NC(=O)c1nnc(C(C)C)s1)C(=O)[O-]	ZINC001588421341	983440599	/nfs/dbraw/zinc/44/05/99/983440599.db2.gz	HGUTYHLEJGWPMJ-ZETCQYMHSA-N	-1	0	267.310	0.868	20	30		CCEDRM
C#CC[C@@H](NS(=O)(=O)c1cc(C)ns1)C(=O)[O-]	ZINC001588423599	983453590	/nfs/dbraw/zinc/45/35/90/983453590.db2.gz	MAXQYRWSBVAYDO-SSDOTTSWSA-N	-1	0	274.323	0.206	20	30		CCEDRM
C#CCC1(O)CCN(C(=O)C2(C(=O)[O-])CC2)CC1	ZINC001588432121	983467650	/nfs/dbraw/zinc/46/76/50/983467650.db2.gz	YPEDIFKMLAKHPZ-UHFFFAOYSA-N	-1	0	251.282	0.228	20	30		CCEDRM
C#CCC[C@@H](O)CNC(=O)NCC(C)(C)CC(=O)[O-]	ZINC001588434726	983472005	/nfs/dbraw/zinc/47/20/05/983472005.db2.gz	RMUZEYGPSCHUPE-SNVBAGLBSA-N	-1	0	270.329	0.561	20	30		CCEDRM
C#CC[C@@H]1CCN(S(=O)(=O)CC(C)(C)C(=O)[O-])C1	ZINC001588434894	983473356	/nfs/dbraw/zinc/47/33/56/983473356.db2.gz	XHHGPFRSWXCJAW-SNVBAGLBSA-N	-1	0	273.354	0.772	20	30		CCEDRM
C#CCN(C(=O)Cc1ccc(C(=O)[O-])nc1)C1CC1	ZINC001588460206	983487050	/nfs/dbraw/zinc/48/70/50/983487050.db2.gz	UXOOAKXVXLTCBK-UHFFFAOYSA-N	-1	0	258.277	0.947	20	30		CCEDRM
C#CCN(CC#CC)C(=O)c1cc(C(=O)[O-])ccn1	ZINC001588464806	983494521	/nfs/dbraw/zinc/49/45/21/983494521.db2.gz	MMUBGESTNMXGMQ-UHFFFAOYSA-N	-1	0	256.261	0.879	20	30		CCEDRM
C#CCN(CC#N)C(=O)c1cc(C(=O)[O-])cc([N+](=O)[O-])c1	ZINC001588464835	983494617	/nfs/dbraw/zinc/49/46/17/983494617.db2.gz	ONAXVLAQTIJMQW-UHFFFAOYSA-N	-1	0	287.231	0.892	20	30		CCEDRM
C#CCN1CCC[C@@H](NC(=O)c2ccc(C(=O)[O-])cn2)C1	ZINC001588475632	983508867	/nfs/dbraw/zinc/50/88/67/983508867.db2.gz	FGSRHJXWXTUPGO-GFCCVEGCSA-N	-1	0	287.319	0.607	20	30		CCEDRM
C#CCN1CCC[C@H](NC(=O)N2CC[C@H](C(=O)[O-])C2)C1	ZINC001588477394	983515642	/nfs/dbraw/zinc/51/56/42/983515642.db2.gz	ZFWBIKUFCVDOHC-RYUDHWBXSA-N	-1	0	279.340	0.200	20	30		CCEDRM
C#CCNC(=O)[C@@H](C)OC(=O)c1ccc(C(=O)[O-])n1C	ZINC001588479220	983518264	/nfs/dbraw/zinc/51/82/64/983518264.db2.gz	DMPGYFLXKZBKTP-MRVPVSSYSA-N	-1	0	278.264	0.018	20	30		CCEDRM
C#CCNC(=O)CNc1ccc2cnn(CC(=O)[O-])c2c1	ZINC001588483771	983521941	/nfs/dbraw/zinc/52/19/41/983521941.db2.gz	HXNSKFVUFOJUBO-UHFFFAOYSA-N	-1	0	286.291	0.282	20	30		CCEDRM
C#CCNCC(=O)Nc1cc(C(=O)[O-])sc1C	ZINC001588485303	983524865	/nfs/dbraw/zinc/52/48/65/983524865.db2.gz	LDTFOAGASHDVDQ-UHFFFAOYSA-N	-1	0	252.295	0.916	20	30		CCEDRM
C#CCNC(=S)N1C[C@@H](C(=O)[O-])[C@H](C2CC2)C1	ZINC001588485438	983525380	/nfs/dbraw/zinc/52/53/80/983525380.db2.gz	OXGQYBXFCSZGSW-VHSXEESVSA-N	-1	0	252.339	0.537	20	30		CCEDRM
C#CCNS(=O)(=O)c1cc(C(=O)[O-])ccc1COC	ZINC001588486239	983526979	/nfs/dbraw/zinc/52/69/79/983526979.db2.gz	NWAXVOGSVRJEJM-UHFFFAOYSA-N	-1	0	283.305	0.443	20	30		CCEDRM
C#CCO[C@@H](C)C(=O)N[C@H]1C[C@H]2C[C@H](C(=O)[O-])C[C@H]21	ZINC001588490477	983532491	/nfs/dbraw/zinc/53/24/91/983532491.db2.gz	NVGAOPWBWHPHPE-MJDLHHQISA-N	-1	0	265.309	0.640	20	30		CCEDRM
C#CCSCC(=O)N[C@@H](CC(F)(F)F)C(=O)[O-]	ZINC001588506281	983551243	/nfs/dbraw/zinc/55/12/43/983551243.db2.gz	ODFWLBJHKOUVOW-LURJTMIESA-N	-1	0	269.244	0.875	20	30		CCEDRM
C#CCn1ccc(CN(C/C=C(\C)C(=O)[O-])CCOC)n1	ZINC001588509424	983553025	/nfs/dbraw/zinc/55/30/25/983553025.db2.gz	DEIPBMAZBXBERC-WLRTZDKTSA-N	-1	0	291.351	0.996	20	30		CCEDRM
C#Cc1ccc(C(=O)N[C@@H](CCOC)C(=O)[O-])nc1	ZINC001588511163	983558881	/nfs/dbraw/zinc/55/88/81/983558881.db2.gz	SQTCEDGTOBOTPL-NSHDSACASA-N	-1	0	262.265	0.282	20	30		CCEDRM
C#Cc1ccc(C(=O)N(OC)[C@H](C)CC(=O)[O-])nc1	ZINC001588511478	983559903	/nfs/dbraw/zinc/55/99/03/983559903.db2.gz	WSQWAYPPZZUXTC-SECBINFHSA-N	-1	0	262.265	0.930	20	30		CCEDRM
C=C(C)C[C@@H](CO)NC(=O)NCc1ncc(C(=O)[O-])s1	ZINC001588534723	983586599	/nfs/dbraw/zinc/58/65/99/983586599.db2.gz	CJBNEPVKFNDJLA-QMMMGPOBSA-N	-1	0	299.352	0.968	20	30		CCEDRM
C=C(C)C[C@@H](NC(=O)[C@H](C)CS(C)(=O)=O)C(=O)[O-]	ZINC001588536381	983593322	/nfs/dbraw/zinc/59/33/22/983593322.db2.gz	AHCPSXAGQYPYFO-RKDXNWHRSA-N	-1	0	277.342	0.203	20	30		CCEDRM
C=C(C)C[C@@H](CO)NC(=O)Nc1nn(C)cc1C(=O)[O-]	ZINC001588537841	983602690	/nfs/dbraw/zinc/60/26/90/983602690.db2.gz	ZPUFSLIJSXLHHJ-QMMMGPOBSA-N	-1	0	282.300	0.567	20	30		CCEDRM
C=C(C)C[C@H](NC(=O)CSc1nncn1C)C(=O)[O-]	ZINC001588542623	983609167	/nfs/dbraw/zinc/60/91/67/983609167.db2.gz	NWKFUYKLPHTQRC-QMMMGPOBSA-N	-1	0	284.341	0.443	20	30		CCEDRM
C=C(C)C[C@@H](NC(=O)Cn1nnc2ccccc21)C(=O)[O-]	ZINC001588543509	983611655	/nfs/dbraw/zinc/61/16/55/983611655.db2.gz	JAEKEZMUBKRKAV-LLVKDONJSA-N	-1	0	288.307	0.967	20	30		CCEDRM
C=C(C)C[C@@H](NC(C)=O)C(=O)NC[C@H]1CCO[C@H]1C(=O)[O-]	ZINC001588547562	983620805	/nfs/dbraw/zinc/62/08/05/983620805.db2.gz	LNQVETZDVGGWRW-IJLUTSLNSA-N	-1	0	298.339	0.063	20	30		CCEDRM
C=C(C)C[C@H](NC(=O)c1ccnc2c1CCN2)C(=O)[O-]	ZINC001588548687	983624789	/nfs/dbraw/zinc/62/47/89/983624789.db2.gz	SMTKCWAWHNXFLF-NSHDSACASA-N	-1	0	275.308	0.738	20	30		CCEDRM
C=C(C)C[C@@H](NC(=O)c1cccc(=O)[nH]1)C(=O)[O-]	ZINC001588548763	983625307	/nfs/dbraw/zinc/62/53/07/983625307.db2.gz	TVCBNGRVAAWPMJ-SECBINFHSA-N	-1	0	250.254	0.936	20	30		CCEDRM
CCN(C[C@H](C)C#N)Cn1nc(C(=O)OC)cc1C(=O)[O-]	ZINC001596231096	983625798	/nfs/dbraw/zinc/62/57/98/983625798.db2.gz	GVCKKHSOGGEMOL-SECBINFHSA-N	-1	0	294.311	0.807	20	30		CCEDRM
C=C(C)C[C@H](NC(=O)c1cccn2c(=O)[nH]nc12)C(=O)[O-]	ZINC001588549103	983626565	/nfs/dbraw/zinc/62/65/65/983626565.db2.gz	XOJNTFZGARRLCC-VIFPVBQESA-N	-1	0	290.279	0.584	20	30		CCEDRM
C=C(CC(C)C)C(=O)N1C[C@@H](O)C[C@H](C(=O)[O-])C1	ZINC001588606357	983697153	/nfs/dbraw/zinc/69/71/53/983697153.db2.gz	YTMVXQBGOAHAFF-QWRGUYRKSA-N	-1	0	255.314	0.883	20	30		CCEDRM
C=C(CCC(=O)[O-])C(=O)N(CC(F)F)C[C@@H](C)O	ZINC001588612315	983702697	/nfs/dbraw/zinc/70/26/97/983702697.db2.gz	MNGXSFQLLVZYMX-MRVPVSSYSA-N	-1	0	265.256	0.882	20	30		CCEDRM
C=C(CCC(=O)[O-])C(=O)N1CC[C@@H](C)S(=O)(=O)CC1	ZINC001588613938	983705578	/nfs/dbraw/zinc/70/55/78/983705578.db2.gz	HNSDDBYDGFBMRN-SNVBAGLBSA-N	-1	0	289.353	0.443	20	30		CCEDRM
C=C(CCC(=O)[O-])C(=O)N=S1(=O)CCOCC1	ZINC001588619110	983715087	/nfs/dbraw/zinc/71/50/87/983715087.db2.gz	LCSXNMCDIAJSPH-UHFFFAOYSA-N	-1	0	261.299	0.432	20	30		CCEDRM
C=C(CCC(=O)[O-])C(=O)N1CCOCC(F)(F)C1	ZINC001588619534	983717468	/nfs/dbraw/zinc/71/74/68/983717468.db2.gz	WRFSZJXZIVJSKQ-UHFFFAOYSA-N	-1	0	263.240	0.902	20	30		CCEDRM
C=C(CCC(=O)[O-])C(=O)Nc1cc(CO)ccn1	ZINC001588629865	983739977	/nfs/dbraw/zinc/73/99/77/983739977.db2.gz	WUXBLMOEQPGLHG-UHFFFAOYSA-N	-1	0	250.254	0.933	20	30		CCEDRM
C=C(CCC(=O)[O-])C(=O)NCc1snnc1C	ZINC001588630215	983742359	/nfs/dbraw/zinc/74/23/59/983742359.db2.gz	FVKAKTXZSMDUKG-UHFFFAOYSA-N	-1	0	255.299	0.884	20	30		CCEDRM
C=C(CCC(=O)[O-])C(=O)NCC1N=NC(=O)N1C1CC1	ZINC001588630396	983743376	/nfs/dbraw/zinc/74/33/76/983743376.db2.gz	ZFUGNUJKQZZYHE-UHFFFAOYSA-N	-1	0	280.284	0.356	20	30		CCEDRM
C=C(CCC(=O)OC)C(=O)N[C@@H](CC(=O)[O-])C1CC1	ZINC001588633979	983751628	/nfs/dbraw/zinc/75/16/28/983751628.db2.gz	UVLGDZVLIUWQON-JTQLQIEISA-N	-1	0	269.297	0.865	20	30		CCEDRM
C=C(CO)C(=O)N1CC[C@H](C(=O)[O-])[C@H]2CCC[C@@H]21	ZINC001588637263	983759404	/nfs/dbraw/zinc/75/94/04/983759404.db2.gz	KWCMWYFLLFFYNH-VWYCJHECSA-N	-1	0	253.298	0.637	20	30		CCEDRM
C=C1CC(C)(C(=O)N2C[C@H](C(=O)[O-])C[C@H](O)C2)C1	ZINC001588643290	983765346	/nfs/dbraw/zinc/76/53/46/983765346.db2.gz	CDRTVXRCEJRSOM-ZJUUUORDSA-N	-1	0	253.298	0.637	20	30		CCEDRM
C=C[C@H](C(=O)[O-])[N@@H+]1CCC[C@@H](c2n[nH]c(=O)[n-]2)C1	ZINC001588662822	983792140	/nfs/dbraw/zinc/79/21/40/983792140.db2.gz	HWLVWQYTTZWAFZ-HTQZYQBOSA-N	-1	0	252.274	0.329	20	30		CCEDRM
C=C[C@H](C(=O)[O-])N(C)Cc1nc([C@@H](C)OC)no1	ZINC001588664188	983798910	/nfs/dbraw/zinc/79/89/10/983798910.db2.gz	OCDJVZUGCLSWEZ-HTQZYQBOSA-N	-1	0	255.274	0.848	20	30		CCEDRM
C=CC(C)(C)NS(=O)(=O)c1cc(C(=O)[O-])[nH]n1	ZINC001588681083	983838288	/nfs/dbraw/zinc/83/82/88/983838288.db2.gz	OVQBPCCWPNTGRC-UHFFFAOYSA-N	-1	0	259.287	0.351	20	30		CCEDRM
C=C[C@@](C)(O)CC(=O)NC[C@H](CC(=O)[O-])C1CC1	ZINC001588683721	983850297	/nfs/dbraw/zinc/85/02/97/983850297.db2.gz	CSHUIXAQPUZEMJ-GXFFZTMASA-N	-1	0	255.314	0.931	20	30		CCEDRM
C=C[C@H](C)ON1C(=O)[C@@H]2C[C@H](C(=O)[O-])CCN2C1=O	ZINC001588687485	983870655	/nfs/dbraw/zinc/87/06/55/983870655.db2.gz	OITUIMVPBUKKGM-YIZRAAEISA-N	-1	0	268.269	0.620	20	30		CCEDRM
C=C[C@@H](COC)NC(=O)CC[C@@H]1C[C@H](C(=O)[O-])CO1	ZINC001588692769	983886027	/nfs/dbraw/zinc/88/60/27/983886027.db2.gz	JOYFSBYGZIVFDG-GARJFASQSA-N	-1	0	271.313	0.574	20	30		CCEDRM
C=C[C@H](NCc1cccc(OCC(=O)[O-])c1)C(=O)OC	ZINC001588700638	983911013	/nfs/dbraw/zinc/91/10/13/983911013.db2.gz	JLTICSIOUSRORQ-LBPRGKRZSA-N	-1	0	279.292	0.967	20	30		CCEDRM
C=C[C@H](OC(=O)CN1C(=O)[C@@H]2CCCC[C@@H]2C1=O)C(=O)[O-]	ZINC001588710400	983931657	/nfs/dbraw/zinc/93/16/57/983931657.db2.gz	AQGPSXRXOWXDGS-AEJSXWLSSA-N	-1	0	295.291	0.344	20	30		CCEDRM
C=C[C@H](OC(=O)COCc1ccncc1)C(=O)[O-]	ZINC001588711123	983936355	/nfs/dbraw/zinc/93/63/55/983936355.db2.gz	LZJYUCGHOPBKKN-JTQLQIEISA-N	-1	0	251.238	0.781	20	30		CCEDRM
C=C[C@@H](OC(=O)[C@H]1CCCN(C(C)=O)C1)C(=O)[O-]	ZINC001588711243	983936652	/nfs/dbraw/zinc/93/66/52/983936652.db2.gz	NHRALIMOUJGHRZ-VHSXEESVSA-N	-1	0	255.270	0.427	20	30		CCEDRM
C=C[C@@H](OC(=O)c1cc2n(n1)CCCC2=O)C(=O)[O-]	ZINC001588711823	983940593	/nfs/dbraw/zinc/94/05/93/983940593.db2.gz	DTZCCZNFQVICEV-SNVBAGLBSA-N	-1	0	264.237	0.656	20	30		CCEDRM
C=C[C@@H](OC(=O)c1cnn(CCOCC)c1)C(=O)[O-]	ZINC001588712942	983947071	/nfs/dbraw/zinc/94/70/71/983947071.db2.gz	PIVMNHZXVQJXFB-SNVBAGLBSA-N	-1	0	268.269	0.716	20	30		CCEDRM
C=CCC(C)(C)C(=O)N[C@@H](CC1OCCO1)C(=O)[O-]	ZINC001588732029	984014673	/nfs/dbraw/zinc/01/46/73/984014673.db2.gz	UQUPBVVPIYURQQ-VIFPVBQESA-N	-1	0	271.313	0.921	20	30		CCEDRM
C=CCC(C)(C)C(=O)NCCCNC(=O)[C@@H]1C[C@H]1C(=O)[O-]	ZINC001588731999	984015367	/nfs/dbraw/zinc/01/53/67/984015367.db2.gz	SZKBWAGFNOOLAR-GHMZBOCLSA-N	-1	0	296.367	0.932	20	30		CCEDRM
C=CC[C@@H](CC)NC(=O)C(=O)N1C[C@@H](C)O[C@@H](C(=O)[O-])C1	ZINC001588735884	984021017	/nfs/dbraw/zinc/02/10/17/984021017.db2.gz	NSAPWALSVDYDSB-GMTAPVOTSA-N	-1	0	298.339	0.158	20	30		CCEDRM
C=CCC(C)(C)C(=O)Nc1n[nH]c(CC(=O)[O-])n1	ZINC001588736895	984027085	/nfs/dbraw/zinc/02/70/85/984027085.db2.gz	YTNPBGIMFZIGQR-UHFFFAOYSA-N	-1	0	252.274	0.973	20	30		CCEDRM
C=CC[C@H](CO)NC(=O)N[C@@H]1CC=C(C(=O)[O-])C1	ZINC001588743744	984039133	/nfs/dbraw/zinc/03/91/33/984039133.db2.gz	CKEIBSMSOIPPFE-NXEZZACHSA-N	-1	0	254.286	0.396	20	30		CCEDRM
C=CC[C@H](OC(=O)CN(C)[C@@H]1CCSC1)C(=O)[O-]	ZINC001588753240	984083550	/nfs/dbraw/zinc/08/35/50/984083550.db2.gz	CXAQTVDSSLMQKV-ZJUUUORDSA-N	-1	0	273.354	0.996	20	30		CCEDRM
C=CC[C@H](OC(=O)[C@@H]1CCc2nncn2CC1)C(=O)[O-]	ZINC001588753538	984087006	/nfs/dbraw/zinc/08/70/06/984087006.db2.gz	JDINYADBHLWBRX-ZJUUUORDSA-N	-1	0	279.296	0.803	20	30		CCEDRM
C=CC[C@@H](OC(=O)[C@H]1CCc2nnn(C)c2C1)C(=O)[O-]	ZINC001588753693	984087969	/nfs/dbraw/zinc/08/79/69/984087969.db2.gz	LXDAKSAFYPAZOP-GZMMTYOYSA-N	-1	0	279.296	0.493	20	30		CCEDRM
C=CC[C@H](OC(=O)/C=C/Cn1cncn1)C(=O)[O-]	ZINC001588753796	984088898	/nfs/dbraw/zinc/08/88/98/984088898.db2.gz	NKSBYLVRJUAACG-SGRBOOSSSA-N	-1	0	251.242	0.407	20	30		CCEDRM
C=CC[C@H](OC(=O)CCc1cnn(C)n1)C(=O)[O-]	ZINC001588754412	984094048	/nfs/dbraw/zinc/09/40/48/984094048.db2.gz	ZOCYJNFHILPDLN-VIFPVBQESA-N	-1	0	253.258	0.320	20	30		CCEDRM
C=CC[C@@H]1NC(=O)N([C@@H]2CC=C(C(=O)[O-])C2)C1=O	ZINC001588774097	984150906	/nfs/dbraw/zinc/15/09/06/984150906.db2.gz	SSSHDHKNYXYIEQ-BDAKNGLRSA-N	-1	0	250.254	0.656	20	30		CCEDRM
C=CCCC[C@@H](NC(=O)[C@@H]1CCCNC1=O)C(=O)[O-]	ZINC001588790614	984207178	/nfs/dbraw/zinc/20/71/78/984207178.db2.gz	ZWGBMMYGFGYRNF-NXEZZACHSA-N	-1	0	268.313	0.438	20	30		CCEDRM
C=CCCCCOC(=O)Cn1cc(C(=O)[O-])nn1	ZINC001588802647	984250081	/nfs/dbraw/zinc/25/00/81/984250081.db2.gz	RSBYRAHPIVZFEZ-UHFFFAOYSA-N	-1	0	253.258	0.876	20	30		CCEDRM
C=CCCCn1nnnc1N1CCC(C(=O)[O-])CC1	ZINC001588805843	984255825	/nfs/dbraw/zinc/25/58/25/984255825.db2.gz	QCOQXZRFRVSRMC-UHFFFAOYSA-N	-1	0	265.317	0.940	20	30		CCEDRM
C=CCCS(=O)(=O)NCCc1ncc(C(=O)[O-])s1	ZINC001588813342	984269523	/nfs/dbraw/zinc/26/95/23/984269523.db2.gz	OISFYERTMUYMJV-UHFFFAOYSA-N	-1	0	290.366	0.879	20	30		CCEDRM
C=CCCn1cc(CN2CCO[C@H](C(=O)[O-])C2)nn1	ZINC001588819891	984279355	/nfs/dbraw/zinc/27/93/55/984279355.db2.gz	GOZVOFOXKHSSPX-NSHDSACASA-N	-1	0	266.301	0.140	20	30		CCEDRM
C=CCN(CC=C)S(=O)(=O)c1cc(C(=O)[O-])[nH]n1	ZINC001588826559	984304499	/nfs/dbraw/zinc/30/44/99/984304499.db2.gz	KGYNXRFLPWWLTN-UHFFFAOYSA-N	-1	0	271.298	0.471	20	30		CCEDRM
C=CCN1CC[C@@H](N(C)C(=O)[C@@H](CC)C(=O)[O-])C1=O	ZINC001588836622	984328611	/nfs/dbraw/zinc/32/86/11/984328611.db2.gz	CURLHWXOLHHAMD-NXEZZACHSA-N	-1	0	268.313	0.343	20	30		CCEDRM
C=CCN1CC[C@H](n2cc(C[C@@H](CC)C(=O)[O-])nn2)C1=O	ZINC001588839096	984344610	/nfs/dbraw/zinc/34/46/10/984344610.db2.gz	NJKCQOWUMZMKKA-PWSUYJOCSA-N	-1	0	292.339	0.891	20	30		CCEDRM
C=CCNC(=O)Cc1noc(-c2ccc(C(=O)[O-])n2C)n1	ZINC001588844979	984361641	/nfs/dbraw/zinc/36/16/41/984361641.db2.gz	ZWIQCQDVBLJEQS-UHFFFAOYSA-N	-1	0	290.279	0.618	20	30		CCEDRM
C=CCOCC(=O)NC[C@H](C(=O)[O-])[C@H]1CCOC1	ZINC001588851139	984383340	/nfs/dbraw/zinc/38/33/40/984383340.db2.gz	WHDHPMMNWUWUGM-UWVGGRQHSA-N	-1	0	257.286	0.043	20	30		CCEDRM
C=CCOC[C@H](NC(=O)COCc1ccccn1)C(=O)[O-]	ZINC001588854243	984389249	/nfs/dbraw/zinc/38/92/49/984389249.db2.gz	SOXBACZFPVZALT-LBPRGKRZSA-N	-1	0	294.307	0.370	20	30		CCEDRM
C=CCOC[C@@H](NC(=O)[C@@H](CC(=C)C)NC(C)=O)C(=O)[O-]	ZINC001588855580	984394024	/nfs/dbraw/zinc/39/40/24/984394024.db2.gz	LVXNYJSIZSDRAN-VXGBXAGGSA-N	-1	0	298.339	0.229	20	30		CCEDRM
C=CCOC[C@@H](NC(=O)C1=C(C)OCCS1)C(=O)[O-]	ZINC001588855970	984395856	/nfs/dbraw/zinc/39/58/56/984395856.db2.gz	SXRUSDNTMQZEOF-SECBINFHSA-N	-1	0	287.337	0.753	20	30		CCEDRM
C=CCOC[C@H](NC(=O)[C@@H]1CC12CCC2)C(=O)[O-]	ZINC001588856025	984396459	/nfs/dbraw/zinc/39/64/59/984396459.db2.gz	UOWQRHXLEIQYPE-UWVGGRQHSA-N	-1	0	253.298	0.949	20	30		CCEDRM
C=CCOC[C@H](NC(=O)c1cc(C=O)n(C)c1)C(=O)[O-]	ZINC001588859522	984406594	/nfs/dbraw/zinc/40/65/94/984406594.db2.gz	OGMYPHHPNFNUJO-NSHDSACASA-N	-1	0	280.280	0.223	20	30		CCEDRM
C=CCOC[C@@H](NC(=O)c1cc[nH]c(=O)c1)C(=O)[O-]	ZINC001588859749	984408219	/nfs/dbraw/zinc/40/82/19/984408219.db2.gz	VSDSTPBPIZYSCS-SECBINFHSA-N	-1	0	266.253	0.173	20	30		CCEDRM
C=CCOC[C@@H](NCc1cnc2n1CCOC2)C(=O)[O-]	ZINC001588866987	984429443	/nfs/dbraw/zinc/42/94/43/984429443.db2.gz	SRXVACZLPWUVGP-LLVKDONJSA-N	-1	0	281.312	0.159	20	30		CCEDRM
C=CCOCCON=C(N)c1cc(C(=O)[O-])co1	ZINC001588868509	984433172	/nfs/dbraw/zinc/43/31/72/984433172.db2.gz	IRTADFYRJDZBTA-UHFFFAOYSA-N	-1	0	254.242	0.817	20	30		CCEDRM
C=CCn1cnn(CN2CCOC[C@@H]2CC(=O)[O-])c1=S	ZINC001588908938	984540388	/nfs/dbraw/zinc/54/03/88/984540388.db2.gz	ATPPMUOORRIXNU-JTQLQIEISA-N	-1	0	298.368	0.733	20	30		CCEDRM
C=CCn1cc(C(=O)N[C@@H](CCF)C(=O)[O-])nn1	ZINC001588909893	984546055	/nfs/dbraw/zinc/54/60/55/984546055.db2.gz	CWMIJEDLCNMYRE-ZETCQYMHSA-N	-1	0	256.237	0.007	20	30		CCEDRM
C=C[C@@H]1OCC[C@H]1C(=O)N[C@H](CCC(=O)OC)C(=O)[O-]	ZINC001588916543	984561744	/nfs/dbraw/zinc/56/17/44/984561744.db2.gz	RHHNNDUSVBXXPP-BBBLOLIVSA-N	-1	0	285.296	0.100	20	30		CCEDRM
C=C[C@@H]1OCC[C@H]1CNC(=O)N1C[C@H](C(=O)[O-])C[C@H](O)C1	ZINC001588917811	984567676	/nfs/dbraw/zinc/56/76/76/984567676.db2.gz	ARUGEASTXJONFD-USZNOCQGSA-N	-1	0	298.339	0.055	20	30		CCEDRM
C=C[C@H](CO)NC(=O)Nc1nc2n(c1C(=O)[O-])CCC2	ZINC001588919268	984570433	/nfs/dbraw/zinc/57/04/33/984570433.db2.gz	DZIDNWHXQSHEGS-SSDOTTSWSA-N	-1	0	280.284	0.196	20	30		CCEDRM
CC#CCCCC(=O)NC1(C(=O)[O-])CC(CO)C1	ZINC001588925226	984586027	/nfs/dbraw/zinc/58/60/27/984586027.db2.gz	NHTITVCFUJEKSC-UHFFFAOYSA-N	-1	0	253.298	0.522	20	30		CCEDRM
CC#CC[C@H](CO)NC(=O)c1cccc(C(=O)[O-])n1	ZINC001588926096	984591012	/nfs/dbraw/zinc/59/10/12/984591012.db2.gz	IRDKUZXDHCQPDS-SECBINFHSA-N	-1	0	262.265	0.284	20	30		CCEDRM
CC#CCNCc1cn(C[C@H]2CC(C(=O)[O-])=C(C)O2)nn1	ZINC001588932574	984609371	/nfs/dbraw/zinc/60/93/71/984609371.db2.gz	YVZWNHDMECTGBB-GFCCVEGCSA-N	-1	0	290.323	0.539	20	30		CCEDRM
CCO[C@@H](C)C(=O)N1CCC(C#N)(C(=O)[O-])CC1	ZINC001596768937	985191013	/nfs/dbraw/zinc/19/10/13/985191013.db2.gz	YLVXUHOOIMETQA-VIFPVBQESA-N	-1	0	254.286	0.628	20	30		CCEDRM
C[C@@H]1CN(C(=O)[C@H]2CC[C@H]2C(=O)[O-])C[C@H](C)N1CC#N	ZINC001594486684	985567049	/nfs/dbraw/zinc/56/70/49/985567049.db2.gz	VXHQTSAWVKUNFC-WHOHXGKFSA-N	-1	0	279.340	0.542	20	30		CCEDRM
CCOC[C@H](C(=O)[O-])N(C)C(=O)CC1(C#N)CC1	ZINC001596873197	985716411	/nfs/dbraw/zinc/71/64/11/985716411.db2.gz	WJPNXWQEJSKIAP-SECBINFHSA-N	-1	0	254.286	0.628	20	30		CCEDRM
CCOCCCN(C[C@@H](C)C(=O)[O-])C(=O)C#CCOC	ZINC001596908324	985905395	/nfs/dbraw/zinc/90/53/95/985905395.db2.gz	ROKAJMVIBMFKFL-GFCCVEGCSA-N	-1	0	285.340	0.612	20	30		CCEDRM
CC(=O)c1ccc(C#N)c(N2CC(O)(C(=O)[O-])C2)c1	ZINC001589274093	985980639	/nfs/dbraw/zinc/98/06/39/985980639.db2.gz	ZLYNZCFBPCERPT-UHFFFAOYSA-N	-1	0	260.249	0.397	20	30		CCEDRM
CCOCCON=C(C)c1cn(CC(=O)[O-])nn1	ZINC001596937478	986051752	/nfs/dbraw/zinc/05/17/52/986051752.db2.gz	FAEQLLXYEOHKFC-UHFFFAOYSA-N	-1	0	256.262	0.140	20	30		CCEDRM
C[C@@H](C#N)C(=O)N1CCC2(CC(C(=O)[O-])=NO2)CC1	ZINC001589324202	986155676	/nfs/dbraw/zinc/15/56/76/986155676.db2.gz	XUGXTXWAJXXRKS-QMMMGPOBSA-N	-1	0	265.269	0.368	20	30		CCEDRM
C[C@@H](C#N)OCCOC(=O)[C@H]1CC[C@@H](C(=O)[O-])C1	ZINC001589331512	986187704	/nfs/dbraw/zinc/18/77/04/986187704.db2.gz	GXXNCCHJPWOAFN-AEJSXWLSSA-N	-1	0	255.270	0.959	20	30		CCEDRM
C[C@@H]1CN(c2ccc(C(=O)[O-])nc2C#N)CCN1CCO	ZINC001594569241	986378204	/nfs/dbraw/zinc/37/82/04/986378204.db2.gz	OKVQGPUCDVSABC-SNVBAGLBSA-N	-1	0	290.323	0.154	20	30		CCEDRM
C[C@H]1CO[C@@H](C(=O)N2CCC(C#N)(C(=O)[O-])CC2)C1	ZINC001594586917	986483645	/nfs/dbraw/zinc/48/36/45/986483645.db2.gz	LLKOGGGKQHFTDN-NXEZZACHSA-N	-1	0	266.297	0.628	20	30		CCEDRM
C[C@H](CC(=O)[O-])OC(=O)[C@@H](C)n1cnc(C#N)n1	ZINC001589546274	987267662	/nfs/dbraw/zinc/26/76/62/987267662.db2.gz	FCNPMYYJVGZMNT-RNFRBKRXSA-N	-1	0	252.230	0.117	20	30		CCEDRM
CC(C)(C#N)COC(=O)Cn1cc(C(=O)[O-])cn1	ZINC001589554812	987303053	/nfs/dbraw/zinc/30/30/53/987303053.db2.gz	OTVQVIMROYZLHF-UHFFFAOYSA-N	-1	0	251.242	0.674	20	30		CCEDRM
CC[C@H](C#N)NC(=O)[C@H]1CC[C@@H](CCC(=O)[O-])O1	ZINC001597311086	987433200	/nfs/dbraw/zinc/43/32/00/987433200.db2.gz	MXJJOLDDLOPFAT-KXUCPTDWSA-N	-1	0	254.286	0.817	20	30		CCEDRM
C[C@@H](O)[C@H](NC(=O)[C@]1(C#N)CC2CCC1CC2)C(=O)[O-]	ZINC001599844388	988907837	/nfs/dbraw/zinc/90/78/37/988907837.db2.gz	WHQICGMAGSNECJ-ODAXSGCUSA-N	-1	0	280.324	0.657	20	30		CCEDRM
CCc1ncncc1C(=O)N(CC#N)CCC(=O)[O-]	ZINC001597709231	988958682	/nfs/dbraw/zinc/95/86/82/988958682.db2.gz	KLWRYPMKGJQQBU-UHFFFAOYSA-N	-1	0	262.269	0.479	20	30		CCEDRM
CC(C)(CCNC(=O)CNc1ccc(C#N)cn1)C(=O)[O-]	ZINC001590675790	990385989	/nfs/dbraw/zinc/38/59/89/990385989.db2.gz	XMYIXVUXFLBIBU-UHFFFAOYSA-N	-1	0	290.323	0.982	20	30		CCEDRM
CC(C)(CNC(=O)C(=O)Nc1ccc(C#N)cn1)C(=O)[O-]	ZINC001590705358	990443502	/nfs/dbraw/zinc/44/35/02/990443502.db2.gz	YXJTWIWAKLUFSV-UHFFFAOYSA-N	-1	0	290.279	0.119	20	30		CCEDRM
CN(C(C)(C)CC(=O)[O-])S(=O)(=O)c1cncc(C#N)c1	ZINC001598111534	990509713	/nfs/dbraw/zinc/50/97/13/990509713.db2.gz	ZGACYSXDWRLWRP-UHFFFAOYSA-N	-1	0	297.336	0.827	20	30		CCEDRM
CN(C)C(=O)CSc1ccc(C(=O)[O-])nc1C#N	ZINC001598133834	990578101	/nfs/dbraw/zinc/57/81/01/990578101.db2.gz	DYJBWJGMMKFTQF-UHFFFAOYSA-N	-1	0	265.294	0.832	20	30		CCEDRM
CN(C)C[C@](C)(C#N)NC(=O)[C@H]1CCC[C@H](C(=O)[O-])C1	ZINC001598199740	990810299	/nfs/dbraw/zinc/81/02/99/990810299.db2.gz	QIYSVDPZPVZYPY-MJVIPROJSA-N	-1	0	281.356	0.837	20	30		CCEDRM
CC(C)[C@@](C)(C#N)NC(=O)[C@H]1CC[C@@H](C(=O)[O-])O1	ZINC001590960396	991051391	/nfs/dbraw/zinc/05/13/91/991051391.db2.gz	CYOUCDTTWMTIHQ-VDDIYKPWSA-N	-1	0	254.286	0.673	20	30		CCEDRM
COc1cccnc1CC(=O)N(CC#N)CC(=O)[O-]	ZINC001599719882	991519271	/nfs/dbraw/zinc/51/92/71/991519271.db2.gz	SQIAFYYFWXMQKX-UHFFFAOYSA-N	-1	0	263.253	0.069	20	30		CCEDRM
CN(CCC#N)c1ccc(CN2CC(O)(C(=O)[O-])C2)cc1	ZINC001598469238	991998532	/nfs/dbraw/zinc/99/85/32/991998532.db2.gz	WBCBFXQDPDBKBM-UHFFFAOYSA-N	-1	0	289.335	0.668	20	30		CCEDRM
CN(CCc1cccc(C#N)c1)Cc1cn(CC(=O)[O-])nn1	ZINC001598500412	992428890	/nfs/dbraw/zinc/42/88/90/992428890.db2.gz	XMOIFGPKNJMYRC-UHFFFAOYSA-N	-1	0	299.334	0.909	20	30		CCEDRM
CN(Cc1cc(C#N)cs1)CN1C[C@@H](C(=O)[O-])OC1=O	ZINC001598507994	992532472	/nfs/dbraw/zinc/53/24/72/992532472.db2.gz	YQQDKLVXKYUZST-JTQLQIEISA-N	-1	0	295.320	0.914	20	30		CCEDRM
CC(C)C[C@H](NC(=O)CNc1cnccc1C#N)C(=O)[O-]	ZINC001591462924	992575577	/nfs/dbraw/zinc/57/55/77/992575577.db2.gz	SBALYUREPWCIAJ-NSHDSACASA-N	-1	0	290.323	0.981	20	30		CCEDRM
CN1CCC[C@@H](Cn2cc(C(=O)[O-])cc(C#N)c2=O)C1=O	ZINC001598593978	993476894	/nfs/dbraw/zinc/47/68/94/993476894.db2.gz	UGLJOPFGZLVTIG-VIFPVBQESA-N	-1	0	289.291	0.287	20	30		CCEDRM
CN1CCCC[C@H](C(=O)N(CC#N)CCC(=O)[O-])C1=O	ZINC001598599406	993553737	/nfs/dbraw/zinc/55/37/37/993553737.db2.gz	UXKRRYDNACUJIG-JTQLQIEISA-N	-1	0	281.312	0.072	20	30		CCEDRM
COc1ccc(OS(=O)(=O)C[C@H](C)C(=O)[O-])cc1C#N	ZINC001599606444	993892311	/nfs/dbraw/zinc/89/23/11/993892311.db2.gz	FQFDPLOIWXSBAM-QMMMGPOBSA-N	-1	0	299.304	0.996	20	30		CCEDRM
CNC(=O)c1ccc(CN(CC#N)CCC(=O)[O-])cc1	ZINC001598658210	994556852	/nfs/dbraw/zinc/55/68/52/994556852.db2.gz	WLJSKNMPEXKCAN-UHFFFAOYSA-N	-1	0	275.308	0.846	20	30		CCEDRM
C[C@](O)(C(=O)N(CC#N)CCC(=O)[O-])c1ccc(F)cc1	ZINC001593373984	995071555	/nfs/dbraw/zinc/07/15/55/995071555.db2.gz	MPSMRDGFKMNJFN-CQSZACIVSA-N	-1	0	294.282	0.860	20	30		CCEDRM
C[C@@](O)(CNC(=O)c1sccc1CC#N)C(=O)[O-]	ZINC001593411598	995190764	/nfs/dbraw/zinc/19/07/64/995190764.db2.gz	PLKRAWKHKKQQCX-LLVKDONJSA-N	-1	0	268.294	0.380	20	30		CCEDRM
COC(=O)[C@@H]1[C@@H](CN(CC#N)CCC(=O)[O-])C1(F)F	ZINC001598746336	995597477	/nfs/dbraw/zinc/59/74/77/995597477.db2.gz	XWTLQBNKLOQALP-APPZFPTMSA-N	-1	0	276.239	0.341	20	30		CCEDRM
C[C@@]1(C#N)CCN(C(=O)CN2CCC[C@H](C(=O)[O-])C2=O)C1	ZINC001593742651	996362106	/nfs/dbraw/zinc/36/21/06/996362106.db2.gz	CPTFKKPUTBWJEX-HZMBPMFUSA-N	-1	0	293.323	0.072	20	30		CCEDRM
COC(=O)C[C@@H](C)C(=O)N1CCC(C#N)(C(=O)[O-])CC1	ZINC001598835735	996482977	/nfs/dbraw/zinc/48/29/77/996482977.db2.gz	LJTZKFMFUBBSKD-SECBINFHSA-N	-1	0	282.296	0.403	20	30		CCEDRM
CC1(C)C[C@@]1(C#N)NS(=O)(=O)c1ccc(C(=O)[O-])nc1	ZINC001593863269	996662666	/nfs/dbraw/zinc/66/26/66/996662666.db2.gz	FPWSLPWFSMHYMV-LBPRGKRZSA-N	-1	0	295.320	0.750	20	30		CCEDRM
COC(=O)[C@@H](CCC(=O)[O-])NC(=O)c1cccc(C#N)n1	ZINC001598893025	997027008	/nfs/dbraw/zinc/02/70/08/997027008.db2.gz	ZSMDYLSZPZRFQH-SNVBAGLBSA-N	-1	0	291.263	0.089	20	30		CCEDRM
COC1([C@@H](C(=O)[O-])N2CC[C@@](F)(C#N)C2)CCC1	ZINC001599083926	997060019	/nfs/dbraw/zinc/06/00/19/997060019.db2.gz	ZJYRLFMTLYPEAQ-MWLCHTKSSA-N	-1	0	256.277	0.946	20	30		CCEDRM
COC[C@@]1(C(=O)[O-])CCCN1C(=O)c1ccc(C#N)cn1	ZINC001599192156	997141186	/nfs/dbraw/zinc/14/11/86/997141186.db2.gz	HYOUURQJZLIAEW-CQSZACIVSA-N	-1	0	289.291	0.659	20	30		CCEDRM
COC[C@]1(C(=O)[O-])CCCN1C(=O)c1cccc(C#N)n1	ZINC001599192215	997142070	/nfs/dbraw/zinc/14/20/70/997142070.db2.gz	KWDRWOUYQQSQMC-AWEZNQCLSA-N	-1	0	289.291	0.659	20	30		CCEDRM
COCc1ncc(C(=O)N(CC#N)CC(=O)[O-])s1	ZINC001599303434	997272684	/nfs/dbraw/zinc/27/26/84/997272684.db2.gz	WQTGHXQKPXMEEL-UHFFFAOYSA-N	-1	0	269.282	0.340	20	30		CCEDRM
COCC1(S(=O)(=O)N(CC#N)CCC(=O)[O-])CCC1	ZINC001599201887	997321996	/nfs/dbraw/zinc/32/19/96/997321996.db2.gz	SJXHSPZJOVFSRM-UHFFFAOYSA-N	-1	0	290.341	0.186	20	30		CCEDRM
COCn1ccc(C(=O)N2CCC(C#N)(C(=O)[O-])CC2)n1	ZINC001599306721	997330815	/nfs/dbraw/zinc/33/08/15/997330815.db2.gz	AQBJKFKDTLKDHM-UHFFFAOYSA-N	-1	0	292.295	0.318	20	30		CCEDRM
COC(=O)c1cc(C(=O)[O-])n(CN2CC[C@@](C)(C#N)C2)n1	ZINC001598921503	997571839	/nfs/dbraw/zinc/57/18/39/997571839.db2.gz	FIRRTMLQIBNFNV-ZDUSSCGKSA-N	-1	0	292.295	0.561	20	30		CCEDRM
CON=Cc1ccc(C(=O)N2CC[C@@H]2C(=O)[O-])cc1	ZINC001599320769	997576715	/nfs/dbraw/zinc/57/67/15/997576715.db2.gz	LYGXPASPTNFCHG-LLVKDONJSA-N	-1	0	262.265	0.966	20	30		CCEDRM
COC(=O)c1cc(CN(CC#N)CCC(=O)[O-])n(C)c1C	ZINC001598930194	997734439	/nfs/dbraw/zinc/73/44/39/997734439.db2.gz	ZDRHCIWMAHQWOE-UHFFFAOYSA-N	-1	0	293.323	0.920	20	30		CCEDRM
CO[C@@H]1CCN(CC(=O)NC2(C#N)CCC2)[C@H](C(=O)[O-])C1	ZINC001599121487	997745598	/nfs/dbraw/zinc/74/55/98/997745598.db2.gz	ANUOTYXAVSRBNZ-MNOVXSKESA-N	-1	0	295.339	0.113	20	30		CCEDRM
CO[C@@H]1CCN(CC(=O)NC2(C#N)CCC2)[C@@H](C(=O)[O-])C1	ZINC001599121485	997745621	/nfs/dbraw/zinc/74/56/21/997745621.db2.gz	ANUOTYXAVSRBNZ-GHMZBOCLSA-N	-1	0	295.339	0.113	20	30		CCEDRM
COCCCNC(=S)NN=C1CC(CC(=O)[O-])C1	ZINC001599226807	997774128	/nfs/dbraw/zinc/77/41/28/997774128.db2.gz	HXAHPARIWGBWDU-UHFFFAOYSA-N	-1	0	273.358	0.728	20	30		CCEDRM
CO[C@@H]1CN(C(=O)c2ccc(C#N)[nH]2)[C@](C)(C(=O)[O-])C1	ZINC001599128556	997896417	/nfs/dbraw/zinc/89/64/17/997896417.db2.gz	BIKOBXIPWIWGQZ-ZANVPECISA-N	-1	0	277.280	0.591	20	30		CCEDRM
COCC#CC(=O)N(CC(=O)[O-])C1CCCCC1	ZINC001599137721	998072618	/nfs/dbraw/zinc/07/26/18/998072618.db2.gz	ARLXBECBQSYHBH-UHFFFAOYSA-N	-1	0	253.298	0.882	20	30		CCEDRM
COCCNC(=O)[C@H](C#N)C(=O)[C@H]1CC[C@H](C(=O)[O-])CC1	ZINC001599243458	998092529	/nfs/dbraw/zinc/09/25/29/998092529.db2.gz	YRNVCNPHRWBLAS-GMTAPVOTSA-N	-1	0	296.323	0.349	20	30		CCEDRM
COC[C@](C)(NC(=O)CC1(C#N)CCOCC1)C(=O)[O-]	ZINC001599151122	998300981	/nfs/dbraw/zinc/30/09/81/998300981.db2.gz	HAPMFYPFCBMQSW-LBPRGKRZSA-N	-1	0	284.312	0.303	20	30		CCEDRM
COC[C@](C)(NC(=O)c1cccc(C#CCO)c1)C(=O)[O-]	ZINC001599153113	998322694	/nfs/dbraw/zinc/32/26/94/998322694.db2.gz	XFYHQUUFIPZGEB-HNNXBMFYSA-N	-1	0	291.303	0.250	20	30		CCEDRM
COc1cc(C(=O)[O-])ccc1NC(=O)C(=O)NCCC#N	ZINC001599367393	998357181	/nfs/dbraw/zinc/35/71/81/998357181.db2.gz	FXOMKSGYWPNYNA-UHFFFAOYSA-N	-1	0	291.263	0.362	20	30		CCEDRM
COC/C(C)=C\C(=O)N1CCC(C#N)(C(=O)[O-])CC1	ZINC001599155810	998370392	/nfs/dbraw/zinc/37/03/92/998370392.db2.gz	OCIXTQZXCNSENP-YFHOEESVSA-N	-1	0	266.297	0.796	20	30		CCEDRM
C[C@H]1[C@H](C(=O)[O-])CCN1C(=O)C(=O)NCC(C)(C)CC#N	ZINC001594138570	998408257	/nfs/dbraw/zinc/40/82/57/998408257.db2.gz	MLWZJVAUKFHBJB-VHSXEESVSA-N	-1	0	295.339	0.364	20	30		CCEDRM
COCCC1N=NC(=S)N1N=Cc1cc(C(=O)[O-])co1	ZINC001599264800	998450089	/nfs/dbraw/zinc/45/00/89/998450089.db2.gz	IQDQWHNFBVQCPI-UHFFFAOYSA-N	-1	0	296.308	0.929	20	30		CCEDRM
COCC(COC)NN=Cc1cc(C(=O)[O-])oc1C	ZINC001599167775	998567369	/nfs/dbraw/zinc/56/73/69/998567369.db2.gz	ZUAXOTIOCAPVJH-UHFFFAOYSA-N	-1	0	270.285	0.871	20	30		CCEDRM
COC[C@@H](NC(=O)c1ccc(C#N)cc1C)C(=O)[O-]	ZINC001599171523	998615773	/nfs/dbraw/zinc/61/57/73/998615773.db2.gz	HJFOPSUPTUWQHT-LLVKDONJSA-N	-1	0	262.265	0.696	20	30		CCEDRM
COC[C@@H](NC(=O)c1cc(F)c(C#N)c(F)c1)C(=O)[O-]	ZINC001599171895	998619550	/nfs/dbraw/zinc/61/95/50/998619550.db2.gz	NVHVOCAUARAEQW-SNVBAGLBSA-N	-1	0	284.218	0.666	20	30		CCEDRM
Cc1ncc(S(=O)(=O)[N-]c2ccc(C#N)c(C)n2)n1C	ZINC000600669226	362028824	/nfs/dbraw/zinc/02/88/24/362028824.db2.gz	WXKORSNPGUMWFO-UHFFFAOYSA-N	-1	0	291.336	0.526	20	30		CCEDRM
C=C(C)C[C@@H](NC(=O)c1c([N+](=O)[O-])c(C)nn1C)C(=O)[O-]	ZINC000600875439	362084861	/nfs/dbraw/zinc/08/48/61/362084861.db2.gz	SNYXAWKHJTZTEB-MRVPVSSYSA-N	-1	0	296.283	0.786	20	30		CCEDRM
C[C@H](NS(=O)(=O)CC1(C#N)CC1)[C@@H](O)C(F)(F)F	ZINC000601524646	362300341	/nfs/dbraw/zinc/30/03/41/362300341.db2.gz	UXJYSYPHTMWOCN-NKWVEPMBSA-N	-1	0	286.275	0.521	20	30		CCEDRM
N#CCCn1[n-]c(CN2C(=O)c3ccccc3C2=O)cc1=O	ZINC000601931645	362428577	/nfs/dbraw/zinc/42/85/77/362428577.db2.gz	NPNHEGWAFKQZAU-UHFFFAOYSA-N	-1	0	296.286	0.785	20	30		CCEDRM
CC(C)N(C(=O)CCn1cc(C#N)c(=O)[n-]c1=O)C1CC1	ZINC000602097989	362484983	/nfs/dbraw/zinc/48/49/83/362484983.db2.gz	UPAFDVQEBMYRFI-UHFFFAOYSA-N	-1	0	290.323	0.610	20	30		CCEDRM
N#Cc1cn(CC(=O)N2CC(CC3CC3)C2)c(=O)[n-]c1=O	ZINC000602190938	362550022	/nfs/dbraw/zinc/55/00/22/362550022.db2.gz	WQWBTUCEPKBLCY-UHFFFAOYSA-N	-1	0	288.307	0.079	20	30		CCEDRM
CCC[C@H](OCC)C(=O)N=c1[n-]n(C)cc1C#N	ZINC000602279031	362573740	/nfs/dbraw/zinc/57/37/40/362573740.db2.gz	BGIDZLNXBIOGRQ-JTQLQIEISA-N	-1	0	250.302	0.857	20	30		CCEDRM
Cc1nc(C(=O)N[C@]2(C(=O)[O-])CCOC2)ccc1C#N	ZINC000085854349	179189220	/nfs/dbraw/zinc/18/92/20/179189220.db2.gz	YJMRDFCCLJRNPO-CYBMUJFWSA-N	-1	0	275.264	0.235	20	30		CCEDRM
C[C@@]1(C(=O)[O-])CCCN1S(=O)(=O)c1ccc(C#N)nc1	ZINC000228697763	136958172	/nfs/dbraw/zinc/95/81/72/136958172.db2.gz	VVGXAWBARHLHLP-LBPRGKRZSA-N	-1	0	295.320	0.581	20	30		CCEDRM
COc1cc(C#N)ccc1OCC(=O)N[C@@H](CF)C(=O)[O-]	ZINC000262828635	137053754	/nfs/dbraw/zinc/05/37/54/137053754.db2.gz	BBHFBVNFAYLCFZ-VIFPVBQESA-N	-1	0	296.254	0.485	20	30		CCEDRM
C[C@@H]1C[C@@H](C(=O)[O-])CN(S(=O)(=O)c2ccc(C#N)o2)C1	ZINC000263282150	137062429	/nfs/dbraw/zinc/06/24/29/137062429.db2.gz	XLEGQIAKPVNSTB-RKDXNWHRSA-N	-1	0	298.320	0.883	20	30		CCEDRM
CN(CC1(C)COC1)C(=O)N=c1[n-]n(C)cc1C#N	ZINC000602882761	362861396	/nfs/dbraw/zinc/86/13/96/362861396.db2.gz	QAZQJFCFOSGTRF-UHFFFAOYSA-N	-1	0	263.301	0.214	20	30		CCEDRM
Cn1cc(C#N)c(=NC(=O)NCC2(CF)CCOCC2)[n-]1	ZINC000602880846	362860623	/nfs/dbraw/zinc/86/06/23/362860623.db2.gz	NFAPZWVQJUSJSC-UHFFFAOYSA-N	-1	0	295.318	0.601	20	30		CCEDRM
N#Cc1ccc(S(=O)(=O)NCCC(=O)[O-])c(Cl)c1	ZINC000126023784	350135163	/nfs/dbraw/zinc/13/51/63/350135163.db2.gz	OQFZGFUQPRMCQP-UHFFFAOYSA-N	-1	0	288.712	0.965	20	30		CCEDRM
CCn1cc(S(=O)(=O)[N-]c2nn(C)cc2C#N)nc1C	ZINC000135630659	350405427	/nfs/dbraw/zinc/40/54/27/350405427.db2.gz	KXTFFSQNUHABLT-UHFFFAOYSA-N	-1	0	294.340	0.617	20	30		CCEDRM
C=CCCCN(C)S(=O)(=O)c1cnn(CC(=O)[O-])c1	ZINC000135971138	350410913	/nfs/dbraw/zinc/41/09/13/350410913.db2.gz	VBONPSHKKIYKHS-UHFFFAOYSA-N	-1	0	287.341	0.554	20	30		CCEDRM
C=CCC[N-]S(=O)(=O)c1scnc1C(=O)OC	ZINC000161670929	350726336	/nfs/dbraw/zinc/72/63/36/350726336.db2.gz	SPSXXCXXFBEZOS-UHFFFAOYSA-N	-1	0	276.339	0.784	20	30		CCEDRM
N#Cc1ccccc1S(=O)(=O)NC1(C(=O)[O-])CCC1	ZINC000164949878	350784304	/nfs/dbraw/zinc/78/43/04/350784304.db2.gz	ARFXSOJTENPLNM-UHFFFAOYSA-N	-1	0	280.305	0.844	20	30		CCEDRM
C=C(C)COCCNC(=O)N[C@H](C(=O)[O-])C(C)C	ZINC000166865567	350803288	/nfs/dbraw/zinc/80/32/88/350803288.db2.gz	PJXLWQZSTMAUMK-JTQLQIEISA-N	-1	0	258.318	0.988	20	30		CCEDRM
N#Cc1c[nH]c(C(=O)Nc2ccc(-n3nn[n-]c3=O)cc2)c1	ZINC000191972946	351779326	/nfs/dbraw/zinc/77/93/26/351779326.db2.gz	OGLQBVOTEGKCFD-UHFFFAOYSA-N	-1	0	295.262	0.408	20	30		CCEDRM
C[C@H](O)C[N-]S(=O)(=O)c1c(F)cc(C#N)cc1F	ZINC000123153048	187074502	/nfs/dbraw/zinc/07/45/02/187074502.db2.gz	LCQNZZDOWZXAFN-LURJTMIESA-N	-1	0	276.264	0.496	20	30		CCEDRM
Cc1n[nH]c(C)c1S(=O)(=O)[N-]c1nn(C)cc1C#N	ZINC000123374792	187087631	/nfs/dbraw/zinc/08/76/31/187087631.db2.gz	MTSLWKPIWSUQKZ-UHFFFAOYSA-N	-1	0	280.313	0.433	20	30		CCEDRM
C[C@](O)(CNc1ccc(C(F)(F)F)c(C#N)n1)C(=O)[O-]	ZINC000416434596	233835580	/nfs/dbraw/zinc/83/55/80/233835580.db2.gz	VJQFOYSUHQVKPV-JTQLQIEISA-N	-1	0	289.213	0.641	20	30		CCEDRM
C=CCCOCCNS(=O)(=O)c1c[nH]c(C(=O)[O-])c1	ZINC000231791102	352134368	/nfs/dbraw/zinc/13/43/68/352134368.db2.gz	IHDWQXKGPLWZDS-UHFFFAOYSA-N	-1	0	288.325	0.584	20	30		CCEDRM
Cc1cnc(C[N-]S(=O)(=O)c2cccnc2C#N)o1	ZINC000235925546	352190505	/nfs/dbraw/zinc/19/05/05/352190505.db2.gz	BNXKVDYLLNFGMW-UHFFFAOYSA-N	-1	0	278.293	0.728	20	30		CCEDRM
N#Cc1cn(CC(=O)NCc2ccccc2)c(=O)[n-]c1=O	ZINC000603918975	363171919	/nfs/dbraw/zinc/17/19/19/363171919.db2.gz	MLUNYSGRKLLCND-UHFFFAOYSA-N	-1	0	284.275	0.137	20	30		CCEDRM
CCC(=O)N[C@H](C)C(=O)Nc1nc(C#N)c(C#N)[n-]1	ZINC000604437800	363196400	/nfs/dbraw/zinc/19/64/00/363196400.db2.gz	HXRPREIUJHKBBU-ZCFIWIBFSA-N	-1	0	260.257	0.006	20	30		CCEDRM
C[C@H](CC(=O)[O-])NS(=O)(=O)c1ccc(F)cc1C#N	ZINC000270545766	352946064	/nfs/dbraw/zinc/94/60/64/352946064.db2.gz	YXVCZPDTXMHSJK-SSDOTTSWSA-N	-1	0	286.284	0.839	20	30		CCEDRM
CC#CC[C@H](NS(=O)(=O)c1cnn(C(C)C)c1)C(=O)[O-]	ZINC000275040101	353181254	/nfs/dbraw/zinc/18/12/54/353181254.db2.gz	QZLDUVCHHOLYTK-NSHDSACASA-N	-1	0	299.352	0.609	20	30		CCEDRM
CN(Cc1nc[nH]n1)C(=O)c1cc(O)cc(C#N)c1	ZINC000619165962	366213814	/nfs/dbraw/zinc/21/38/14/366213814.db2.gz	XDAPHQHJYVDDLC-UHFFFAOYSA-N	-1	0	257.253	0.654	20	30		CCEDRM
C=CCCC[C@H](C)NC(=O)c1cnc([O-])n(C)c1=O	ZINC000343519693	355772630	/nfs/dbraw/zinc/77/26/30/355772630.db2.gz	IBLQAAGBDMUIBZ-VIFPVBQESA-N	-1	0	265.313	0.961	20	30		CCEDRM
N#Cc1nc(NC(=O)CC(=O)NCC2CC2)[n-]c1C#N	ZINC000427942890	235387688	/nfs/dbraw/zinc/38/76/88/235387688.db2.gz	BQYWKPHBOBUYLF-UHFFFAOYSA-N	-1	0	272.268	0.008	20	30		CCEDRM
N#Cc1nc(NC(=O)CCN2CCCC2=O)[n-]c1C#N	ZINC000609043961	363471971	/nfs/dbraw/zinc/47/19/71/363471971.db2.gz	KOGWDROVUHJZMK-UHFFFAOYSA-N	-1	0	272.268	0.104	20	30		CCEDRM
COC(=O)c1ccc(=NC(=O)NCCCCC#N)[n-]n1	ZINC000619635003	366307557	/nfs/dbraw/zinc/30/75/57/366307557.db2.gz	QDCSVTFVUCHENU-UHFFFAOYSA-N	-1	0	277.284	0.500	20	30		CCEDRM
N#Cc1ccc(S(=O)(=O)[N-]c2ccncc2[N+](=O)[O-])o1	ZINC000359400544	356815668	/nfs/dbraw/zinc/81/56/68/356815668.db2.gz	RIBBPZVDXYAAGZ-UHFFFAOYSA-N	-1	0	294.248	0.677	20	30		CCEDRM
N#Cc1c(NCc2n[nH]c(=O)[n-]2)nc2ccccn21	ZINC000360113964	356949274	/nfs/dbraw/zinc/94/92/74/356949274.db2.gz	SWLJWOSJPWJSLZ-UHFFFAOYSA-N	-1	0	255.241	0.642	20	30		CCEDRM
CCC[C@@H](CCO)CNC(=O)N=c1[n-]n(C)cc1C#N	ZINC000610562742	363578217	/nfs/dbraw/zinc/57/82/17/363578217.db2.gz	DYKDMRKNGCOVME-JTQLQIEISA-N	-1	0	279.344	0.634	20	30		CCEDRM
C#C[C@@H](NC(=O)N=c1nc2n([n-]1)CCCC2)C(C)C	ZINC000491338265	358293329	/nfs/dbraw/zinc/29/33/29/358293329.db2.gz	HKIFCDANWJBXOH-SNVBAGLBSA-N	-1	0	261.329	0.816	20	30		CCEDRM
C=CCCS(=O)(=O)N1CC(C)(C)OC[C@H]1C(=O)[O-]	ZINC000560480820	358555277	/nfs/dbraw/zinc/55/52/77/358555277.db2.gz	OXYHKDIPGVSYBH-VIFPVBQESA-N	-1	0	277.342	0.456	20	30		CCEDRM
C[C@@H](CC#N)N(C)S(=O)(=O)NC1(C(=O)[O-])CCC1	ZINC000563225955	358557089	/nfs/dbraw/zinc/55/70/89/358557089.db2.gz	KVJKEZLKNMRWME-QMMMGPOBSA-N	-1	0	275.330	0.062	20	30		CCEDRM
N#Cc1c[n-]c(=O)n(CCCO[C@H]2CCCCO2)c1=O	ZINC000573247686	358951948	/nfs/dbraw/zinc/95/19/48/358951948.db2.gz	FPGKTRJVIXKTLL-NSHDSACASA-N	-1	0	279.296	0.342	20	30		CCEDRM
CC(=O)N1CC[C@@H](C(=O)N=c2[nH][n-]c(C3CC3)c2C#N)C1	ZINC000580793415	359095849	/nfs/dbraw/zinc/09/58/49/359095849.db2.gz	GGVUTNJIXCFPQF-SNVBAGLBSA-N	-1	0	287.323	0.388	20	30		CCEDRM
C=C[C@H](CCC(=O)[O-])NS(=O)(=O)CCCC(=O)OC	ZINC000580937037	359110203	/nfs/dbraw/zinc/11/02/03/359110203.db2.gz	QIUQQBBXILYIHK-SECBINFHSA-N	-1	0	293.341	0.278	20	30		CCEDRM
Cn1cc(C#N)c(=NC(=O)NCc2cnc3n2CCCC3)[n-]1	ZINC000585798089	359277760	/nfs/dbraw/zinc/27/77/60/359277760.db2.gz	OJYWJPHGWRXAMQ-UHFFFAOYSA-N	-1	0	299.338	0.568	20	30		CCEDRM
COC(=O)c1ccc(=NCC2CCN(CC#N)CC2)[n-]n1	ZINC000610953758	363638063	/nfs/dbraw/zinc/63/80/63/363638063.db2.gz	IVWXBRTZVXMLMG-UHFFFAOYSA-N	-1	0	289.339	0.333	20	30		CCEDRM
Cn1cc(C#N)c(=NC(=O)N=c2cc3n([nH]2)CCCC3)[n-]1	ZINC000588258938	359319582	/nfs/dbraw/zinc/31/95/82/359319582.db2.gz	QRGMWVKVJRQHAY-UHFFFAOYSA-N	-1	0	285.311	0.312	20	30		CCEDRM
C=CCN(CCC#N)C(=O)N=c1[n-]n(C)cc1C#N	ZINC000590121311	359425799	/nfs/dbraw/zinc/42/57/99/359425799.db2.gz	BXZLEDPUJJDRAJ-UHFFFAOYSA-N	-1	0	258.285	0.647	20	30		CCEDRM
Cc1ccc(CCNC(=O)N=c2[n-]n(C)cc2C#N)nc1	ZINC000590822158	359527059	/nfs/dbraw/zinc/52/70/59/359527059.db2.gz	AQWZKHUDOOTKCR-UHFFFAOYSA-N	-1	0	284.323	0.781	20	30		CCEDRM
Cn1cc(C#N)c(=NC(=O)N2C[C@@H]3CC[C@H](O)C[C@@H]3C2)[n-]1	ZINC000591865043	359665887	/nfs/dbraw/zinc/66/58/87/359665887.db2.gz	FHSNLOUOMXUTQK-UMNHJUIQSA-N	-1	0	289.339	0.338	20	30		CCEDRM
N#C[C@@]1(F)CCN(C(=O)NCC2(C(=O)[O-])CCOCC2)C1	ZINC000592210941	359800107	/nfs/dbraw/zinc/80/01/07/359800107.db2.gz	MAABWBUIABDUOI-ZDUSSCGKSA-N	-1	0	299.302	0.515	20	30		CCEDRM
C[C@H](CSCCNS(=O)(=O)CCCC#N)C(=O)[O-]	ZINC000592449034	359843338	/nfs/dbraw/zinc/84/33/38/359843338.db2.gz	PDGPXHZOYOUQTB-SECBINFHSA-N	-1	0	294.398	0.663	20	30		CCEDRM
Cn1cc(C#N)c(=NC(=O)N2CCC[C@](C)(O)C2)[n-]1	ZINC000611228308	363687341	/nfs/dbraw/zinc/68/73/41/363687341.db2.gz	KGCREIAORFYUAY-LBPRGKRZSA-N	-1	0	263.301	0.092	20	30		CCEDRM
Cc1c(C#N)c(=NC(=O)[C@@H]2C[C@H]3CC[C@@H]2O3)[n-]n1C	ZINC000592651714	359909435	/nfs/dbraw/zinc/90/94/35/359909435.db2.gz	VCBJRISSKVGRDQ-KKZNHRDASA-N	-1	0	260.297	0.528	20	30		CCEDRM
CC#CC[C@@H](CO)NC(=O)c1cc([O-])ccc1[N+](=O)[O-]	ZINC000592922723	359982634	/nfs/dbraw/zinc/98/26/34/359982634.db2.gz	CTGRLSMTYCHDHE-VIFPVBQESA-N	-1	0	278.264	0.805	20	30		CCEDRM
CCNc1nc(C(=O)N2CC[C@@](O)(CC#N)C2)cs1	ZINC000592949548	359992999	/nfs/dbraw/zinc/99/29/99/359992999.db2.gz	IYGHDPAUHODTGQ-LBPRGKRZSA-N	-1	0	280.353	0.487	20	30		CCEDRM
CCN(CCC#N)S(=O)(=O)N1[C@@H](C)CC[C@H]1C(=O)[O-]	ZINC000593222601	360052499	/nfs/dbraw/zinc/05/24/99/360052499.db2.gz	OZQCSXXBENHVTF-UWVGGRQHSA-N	-1	0	289.357	0.404	20	30		CCEDRM
C[C@@H](CC#N)N(C)S(=O)(=O)NC1([C@H](C)C(=O)[O-])CC1	ZINC000593272769	360058610	/nfs/dbraw/zinc/05/86/10/360058610.db2.gz	BTYNZBBGLOJFEU-DTWKUNHWSA-N	-1	0	289.357	0.308	20	30		CCEDRM
C[C@H](CC#N)N(C)S(=O)(=O)N1CCC[C@]1(C)C(=O)[O-]	ZINC000593270398	360058613	/nfs/dbraw/zinc/05/86/13/360058613.db2.gz	QYLTXTPRSDZWMH-MWLCHTKSSA-N	-1	0	289.357	0.404	20	30		CCEDRM
C=CCN(CC(=O)[O-])S(=O)(=O)CC1(CC#N)CC1	ZINC000593270001	360058645	/nfs/dbraw/zinc/05/86/45/360058645.db2.gz	UIHFWDLLAKIRFP-UHFFFAOYSA-N	-1	0	272.326	0.583	20	30		CCEDRM
C[C@@H](CC#N)N(C)S(=O)(=O)N1CCC[C@H]1CC(=O)[O-]	ZINC000593269806	360058675	/nfs/dbraw/zinc/05/86/75/360058675.db2.gz	OSFXCNRYBLSBCR-UWVGGRQHSA-N	-1	0	289.357	0.404	20	30		CCEDRM
N#Cc1ccc(S(=O)(=O)NC[C@@H](CC2CC2)C(=O)[O-])o1	ZINC000593272462	360058834	/nfs/dbraw/zinc/05/88/34/360058834.db2.gz	JXBDNLRYUUORGZ-SECBINFHSA-N	-1	0	298.320	0.930	20	30		CCEDRM
C[C@H](C(=O)[O-])C1(NS(=O)(=O)c2ccc(C#N)o2)CC1	ZINC000593273697	360059914	/nfs/dbraw/zinc/05/99/14/360059914.db2.gz	MBTMYSUUAMQHBR-SSDOTTSWSA-N	-1	0	284.293	0.683	20	30		CCEDRM
C[C@@H](Cc1ccc(C#N)cc1)C(=O)NCCc1n[n-]c(=N)o1	ZINC000594346284	360277968	/nfs/dbraw/zinc/27/79/68/360277968.db2.gz	XWWMPJLZZJPAJW-JTQLQIEISA-N	-1	0	299.334	0.891	20	30		CCEDRM
N#Cc1ccc(S(=O)(=O)N[C@H](CCF)C(=O)[O-])cn1	ZINC000594573252	360333093	/nfs/dbraw/zinc/33/30/93/360333093.db2.gz	MCBWLIDHOOZCSK-SECBINFHSA-N	-1	0	287.272	0.044	20	30		CCEDRM
N#CC1(CS(=O)(=O)N[C@@H](CCF)C(=O)[O-])CC1	ZINC000594573976	360333142	/nfs/dbraw/zinc/33/31/42/360333142.db2.gz	RUOXTBWVRAOXDQ-ZETCQYMHSA-N	-1	0	264.278	0.022	20	30		CCEDRM
N#CC1(c2ccc(C(=O)NCc3n[nH]c(=O)[n-]3)cc2)CC1	ZINC000611479040	363721126	/nfs/dbraw/zinc/72/11/26/363721126.db2.gz	DKLDPMXJCHPCLR-UHFFFAOYSA-N	-1	0	283.291	0.995	20	30		CCEDRM
CC(C)[C@H](CNC(=O)C(=O)N[C@@H]1CC[C@H](C#N)C1)C(=O)[O-]	ZINC000594534317	360327391	/nfs/dbraw/zinc/32/73/91/360327391.db2.gz	DLIBSBWWEBPHFH-AXFHLTTASA-N	-1	0	295.339	0.268	20	30		CCEDRM
N#CC1(CNC(=O)C(=O)NCCCC(=O)[O-])CCCCC1	ZINC000595275435	360473485	/nfs/dbraw/zinc/47/34/85/360473485.db2.gz	DDIZISZMRCOLGJ-UHFFFAOYSA-N	-1	0	295.339	0.558	20	30		CCEDRM
C[C@@H](C#N)N(Cc1cc(=O)n2[n-]ccc2n1)C1CC1	ZINC000595712205	360626627	/nfs/dbraw/zinc/62/66/27/360626627.db2.gz	HXDRZLISXOGTNB-VIFPVBQESA-N	-1	0	257.297	0.899	20	30		CCEDRM
C[C@]1(C#N)CCN(Cc2cc(=O)n3[n-]ccc3n2)C1	ZINC000595841242	360676737	/nfs/dbraw/zinc/67/67/37/360676737.db2.gz	UIHUWRRNXSFETJ-CYBMUJFWSA-N	-1	0	257.297	0.758	20	30		CCEDRM
N#Cc1ncn(CC(=O)N2CCC(CCC(=O)[O-])CC2)n1	ZINC000596000754	360772237	/nfs/dbraw/zinc/77/22/37/360772237.db2.gz	MGELQEPXBMKRDU-UHFFFAOYSA-N	-1	0	291.311	0.253	20	30		CCEDRM
CC[C@H](C#N)NC(=O)c1cc(S(N)(=O)=O)ccc1[O-]	ZINC000597044243	360999827	/nfs/dbraw/zinc/99/98/27/360999827.db2.gz	QOORWEBHPCPVQQ-SSDOTTSWSA-N	-1	0	283.309	0.072	20	30		CCEDRM
C[C@H](CC#N)N(C)C(=O)c1cc(S(N)(=O)=O)ccc1[O-]	ZINC000597143198	361014765	/nfs/dbraw/zinc/01/47/65/361014765.db2.gz	FKCFQEMKIMODLO-MRVPVSSYSA-N	-1	0	297.336	0.414	20	30		CCEDRM
CC(C)(C#N)CNC(=O)c1cc(S(N)(=O)=O)ccc1[O-]	ZINC000597489039	361112741	/nfs/dbraw/zinc/11/27/41/361112741.db2.gz	CJPKJXJQERIAMB-UHFFFAOYSA-N	-1	0	297.336	0.319	20	30		CCEDRM
CS(=O)(=O)[N-]c1ccc(C(=O)N(CC#N)C2CC2)cn1	ZINC000599155098	361590506	/nfs/dbraw/zinc/59/05/06/361590506.db2.gz	SWMLKTROFHGYLE-UHFFFAOYSA-N	-1	0	294.336	0.581	20	30		CCEDRM
CC[C@@H](C#N)NC(=O)c1ccc([N-]S(C)(=O)=O)nc1	ZINC000599238751	361618520	/nfs/dbraw/zinc/61/85/20/361618520.db2.gz	QNXNWMZKZKVDHH-VIFPVBQESA-N	-1	0	282.325	0.485	20	30		CCEDRM
C=CC[C@@H](CC)NC(=O)C(=O)NC[C@@H](C)C(=O)[O-]	ZINC000655985937	412725187	/nfs/dbraw/zinc/72/51/87/412725187.db2.gz	AUEANLNUBUOPEE-RKDXNWHRSA-N	-1	0	256.302	0.294	20	30		CCEDRM
C[C@@H]1OCC[C@]1(C)NC(=O)N=c1[n-]n(C)cc1C#N	ZINC000612313487	363883346	/nfs/dbraw/zinc/88/33/46/363883346.db2.gz	KFSAADBCZPMZKD-UFBFGSQYSA-N	-1	0	263.301	0.403	20	30		CCEDRM
CN(CCC#N)S(=O)(=O)NCc1cccc(C(=O)[O-])c1	ZINC000612429170	363918658	/nfs/dbraw/zinc/91/86/58/363918658.db2.gz	KUPNJYWJLJOFRB-UHFFFAOYSA-N	-1	0	297.336	0.565	20	30		CCEDRM
C=C[C@@H]1CCCCN1C(=O)C(=O)NC[C@H](C)C(=O)[O-]	ZINC000656003861	412730003	/nfs/dbraw/zinc/73/00/03/412730003.db2.gz	KGGVHHNNLKLBLC-VHSXEESVSA-N	-1	0	268.313	0.390	20	30		CCEDRM
C=C(C)CN(C)C(=O)c1cc(S(N)(=O)=O)ccc1[O-]	ZINC000613305318	364207724	/nfs/dbraw/zinc/20/77/24/364207724.db2.gz	RDLISQSPAVQQEJ-UHFFFAOYSA-N	-1	0	284.337	0.688	20	30		CCEDRM
C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)N1CC(C(=O)[O-])C1	ZINC000621834274	366881802	/nfs/dbraw/zinc/88/18/02/366881802.db2.gz	FJXRPMCPETXNGK-KOLCDFICSA-N	-1	0	268.313	0.694	20	30		CCEDRM
CC(C)[C@H](NC(=O)N=c1[n-]n(C)cc1C#N)C(C)(C)O	ZINC000616791717	365453831	/nfs/dbraw/zinc/45/38/31/365453831.db2.gz	YIWPRPJSACNVLB-JTQLQIEISA-N	-1	0	279.344	0.631	20	30		CCEDRM
C=CCOC[C@H](NC(=O)[C@@H]1C[C@H](C)O[C@@H]1C)C(=O)[O-]	ZINC000630186607	369995990	/nfs/dbraw/zinc/99/59/90/369995990.db2.gz	WLUSFPBMVHDHPF-ZDCRXTMVSA-N	-1	0	271.313	0.572	20	30		CCEDRM
C=CCOC[C@@H](NC(=O)c1ocnc1C)C(=O)[O-]	ZINC000630185871	369996081	/nfs/dbraw/zinc/99/60/81/369996081.db2.gz	IDPBNMRXOMOTII-MRVPVSSYSA-N	-1	0	254.242	0.369	20	30		CCEDRM
C=C(C)COCCNC(=O)CC1(C(=O)[O-])CCOCC1	ZINC000630166903	369983202	/nfs/dbraw/zinc/98/32/02/369983202.db2.gz	GWLCKBBDUFWUCK-UHFFFAOYSA-N	-1	0	285.340	0.967	20	30		CCEDRM
C=CCC[C@@H](NC(=O)CCc1ccnn1C)C(=O)[O-]	ZINC000630180966	369992791	/nfs/dbraw/zinc/99/27/91/369992791.db2.gz	FJPZTQNLSDKKJR-LLVKDONJSA-N	-1	0	265.313	0.888	20	30		CCEDRM
C=CCC[C@H](NC(=O)CCc1ccnn1C)C(=O)[O-]	ZINC000630180969	369992946	/nfs/dbraw/zinc/99/29/46/369992946.db2.gz	FJPZTQNLSDKKJR-NSHDSACASA-N	-1	0	265.313	0.888	20	30		CCEDRM
C=C(C)C[C@@H](NS(=O)(=O)[C@H]1COC(C)(C)C1)C(=O)[O-]	ZINC000630438617	370117418	/nfs/dbraw/zinc/11/74/18/370117418.db2.gz	UCMSDQBXMNFSKQ-NXEZZACHSA-N	-1	0	291.369	0.893	20	30		CCEDRM
C=CCN(CC(F)(F)F)C(=O)CCc1nnn[n-]1	ZINC000630851688	370291677	/nfs/dbraw/zinc/29/16/77/370291677.db2.gz	IFFRNQDHSKVHTK-UHFFFAOYSA-N	-1	0	263.223	0.709	20	30		CCEDRM
O=S(=O)(NCC#CCO)c1ccc(Cl)s1	ZINC000632516643	371118177	/nfs/dbraw/zinc/11/81/77/371118177.db2.gz	PXAZPGJBBOUOSE-UHFFFAOYSA-N	-1	0	265.743	0.676	20	30		CCEDRM
CC(C)c1nnc(Cn2c(=O)[n-]cc(C#N)c2=O)s1	ZINC000567859680	291526318	/nfs/dbraw/zinc/52/63/18/291526318.db2.gz	KQPXTMHEQGTXBF-UHFFFAOYSA-N	-1	0	277.309	0.431	20	30		CCEDRM
C=C(C)C[C@H](NS(=O)(=O)C[C@H](C)COC)C(=O)[O-]	ZINC000634654774	372126800	/nfs/dbraw/zinc/12/68/00/372126800.db2.gz	UBTXLJOPTGJLRV-ZJUUUORDSA-N	-1	0	279.358	0.608	20	30		CCEDRM
C=C(C)CS(=O)(=O)NC[C@@H](CC(=O)[O-])C1CC1	ZINC000656723023	412847076	/nfs/dbraw/zinc/84/70/76/412847076.db2.gz	DNPBJNIZRLHSOS-SNVBAGLBSA-N	-1	0	261.343	0.983	20	30		CCEDRM
C=CCN=c1[n-]nc(SCCn2nc(C)oc2=O)s1	ZINC000641406154	377078857	/nfs/dbraw/zinc/07/88/57/377078857.db2.gz	MWTSDWCOPPDSAY-UHFFFAOYSA-N	-1	0	299.381	0.808	20	30		CCEDRM
COc1n[nH]c([N-]S(=O)(=O)c2ccc(C#N)cc2)n1	ZINC000126851370	284730779	/nfs/dbraw/zinc/73/07/79/284730779.db2.gz	UYWCEOFQFYRCLR-UHFFFAOYSA-N	-1	0	279.281	0.486	20	30		CCEDRM
C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)[C@H](C)C(=O)[O-]	ZINC000133163424	284831341	/nfs/dbraw/zinc/83/13/41/284831341.db2.gz	BDSPWSYENDRZTJ-DTWKUNHWSA-N	-1	0	282.321	0.946	20	30		CCEDRM
N#Cc1c(C2CC2)[n-][nH]c1=NC(=O)[C@H]1CC(=O)N(C2CC2)C1	ZINC000574791758	335047568	/nfs/dbraw/zinc/04/75/68/335047568.db2.gz	UOQQJMGEIXVESB-VIFPVBQESA-N	-1	0	299.334	0.530	20	30		CCEDRM
CCOC(=O)c1cc(=NC(=O)[C@]2(C#N)C[C@H]2C)[nH][n-]1	ZINC000574841654	335051884	/nfs/dbraw/zinc/05/18/84/335051884.db2.gz	RNRXIFCLULYCHJ-KRTXAFLBSA-N	-1	0	262.269	0.497	20	30		CCEDRM
C#CC[C@@H](Cc1ccccc1)NC(=O)CN1CC(=O)NC1=O	ZINC000287415235	388851516	/nfs/dbraw/zinc/85/15/16/388851516.db2.gz	PZUCEJWBAWNINY-ZDUSSCGKSA-N	-1	0	299.330	0.289	20	30		CCEDRM
C#CCONC(=O)[C@H]1CC(=O)N(Cc2ccco2)C1	ZINC000291334912	388921202	/nfs/dbraw/zinc/92/12/02/388921202.db2.gz	VCSLZIFOBMSIBC-JTQLQIEISA-N	-1	0	262.265	0.309	20	30		CCEDRM
C[C@H](CC(=O)[O-])NS(=O)(=O)c1ccc(C#N)c(F)c1	ZINC000291798820	388936503	/nfs/dbraw/zinc/93/65/03/388936503.db2.gz	AZIAKLMWSSOALL-SSDOTTSWSA-N	-1	0	286.284	0.839	20	30		CCEDRM
CC[C@](C)(C#N)C(=O)NCCCc1n[nH]c(=O)[n-]1	ZINC000354337264	389020826	/nfs/dbraw/zinc/02/08/26/389020826.db2.gz	UXYCIBBIEHMLIX-LLVKDONJSA-N	-1	0	251.290	0.499	20	30		CCEDRM
CCn1nncc1C([O-])=Nc1cc(C)cn(C)c1=O	ZINC000328911615	389145023	/nfs/dbraw/zinc/14/50/23/389145023.db2.gz	GNDOBYBARWXLGG-UHFFFAOYSA-N	-1	0	261.285	0.941	20	30		CCEDRM
N#Cc1nc(NC(=O)C(=O)c2ccccc2)[n-]c1C#N	ZINC000194928074	389111070	/nfs/dbraw/zinc/11/10/70/389111070.db2.gz	YNCUPGHBMSCIMH-UHFFFAOYSA-N	-1	0	265.232	0.974	20	30		CCEDRM
C[C@H](C#N)CN(C(=O)c1cnc([O-])n(C)c1=O)C1CC1	ZINC000338382957	389111384	/nfs/dbraw/zinc/11/13/84/389111384.db2.gz	OMTOBJFMZIVCDD-MRVPVSSYSA-N	-1	0	276.296	0.250	20	30		CCEDRM
C=CCC[C@H](NC(=O)NC[C@H]1CCCO1)C(=O)[O-]	ZINC000316010294	389118164	/nfs/dbraw/zinc/11/81/64/389118164.db2.gz	IGGNIJHKCVTDME-ZJUUUORDSA-N	-1	0	256.302	0.884	20	30		CCEDRM
Cc1ccc(-n2[n-]c(C(=O)N(CC#N)CC#N)cc2=O)cc1	ZINC000360098963	389190644	/nfs/dbraw/zinc/19/06/44/389190644.db2.gz	RBGPOQJSVRRQLW-UHFFFAOYSA-N	-1	0	295.302	0.963	20	30		CCEDRM
CC#CCNC(=O)c1c(C)[nH]c(=O)nc1SC	ZINC000343017221	389256743	/nfs/dbraw/zinc/25/67/43/389256743.db2.gz	ZOAJSFPTTHNERJ-UHFFFAOYSA-N	-1	0	251.311	0.966	20	30		CCEDRM
O=C(N=c1cn[n-]s1)N1C[C@@H]2CC[C@@H](O)[C@H]2C1	ZINC000330252235	389219518	/nfs/dbraw/zinc/21/95/18/389219518.db2.gz	IFWKJNJKTVPSAX-BIIVOSGPSA-N	-1	0	254.315	0.786	20	30		CCEDRM
CC(C)(C#N)CCC[N@@H+]1CCN2C(=O)NC(=O)[C@@H]2C1	ZINC000330365772	389221811	/nfs/dbraw/zinc/22/18/11/389221811.db2.gz	RWAPPJHEOQTVHN-JTQLQIEISA-N	-1	0	264.329	0.552	20	30		CCEDRM
Cc1cnc(C(=O)N=c2ccn(CCC#N)[nH]2)c([O-])c1	ZINC000342644003	389234691	/nfs/dbraw/zinc/23/46/91/389234691.db2.gz	YNYRKQJNWNFSCR-UHFFFAOYSA-N	-1	0	271.280	0.880	20	30		CCEDRM
Cc1cc(C(=O)[N-]S(=O)(=O)C(C)C)ncc1C#N	ZINC000408502362	389371104	/nfs/dbraw/zinc/37/11/04/389371104.db2.gz	QTRCDEMTILHEOB-UHFFFAOYSA-N	-1	0	267.310	0.730	20	30		CCEDRM
C=CCN(CC(=O)[O-])S(=O)(=O)c1ccc(C#N)nc1	ZINC000159687474	389371681	/nfs/dbraw/zinc/37/16/81/389371681.db2.gz	GVELWKATUKHGCY-UHFFFAOYSA-N	-1	0	281.293	0.215	20	30		CCEDRM
CNS(=O)(=O)c1cc(C(=O)N(C)C[C@@H](C)C#N)c(C)o1	ZINC000267560591	389372651	/nfs/dbraw/zinc/37/26/51/389372651.db2.gz	GMSCLXFSIKGSPB-QMMMGPOBSA-N	-1	0	299.352	0.728	20	30		CCEDRM
C=CCN1C(=O)N=NC1SCC(=O)NC(=O)NCCC	ZINC000348132462	389366090	/nfs/dbraw/zinc/36/60/90/389366090.db2.gz	KWLHXGMCJDLSDY-UHFFFAOYSA-N	-1	0	299.356	0.498	20	30		CCEDRM
Cc1cnn(C)c1S(=O)(=O)[N-]c1ccc(C#N)cn1	ZINC000350142916	389491683	/nfs/dbraw/zinc/49/16/83/389491683.db2.gz	KYYXVSYCCNLDKA-UHFFFAOYSA-N	-1	0	277.309	0.218	20	30		CCEDRM
C=C(C)COCCNC(=O)N1CCSC[C@H]1C(=O)[O-]	ZINC000164127978	389432191	/nfs/dbraw/zinc/43/21/91/389432191.db2.gz	XKJFHWVEBZYYJT-JTQLQIEISA-N	-1	0	288.369	0.791	20	30		CCEDRM
C=C[C@H](CO)NS(=O)(=O)c1cccc(F)c1F	ZINC000349778285	389433880	/nfs/dbraw/zinc/43/38/80/389433880.db2.gz	RYLWVRYNWUHELA-SSDOTTSWSA-N	-1	0	263.265	0.790	20	30		CCEDRM
COCCNC(=O)c1cc(C#N)c(SC)[n-]c1=O	ZINC000349818259	389440843	/nfs/dbraw/zinc/44/08/43/389440843.db2.gz	AOPANEIQSKBNIL-UHFFFAOYSA-N	-1	0	267.310	0.757	20	30		CCEDRM
C=CCCS(=O)(=O)N1CC[C@@H](C(=O)[O-])[C@@H](C)C1	ZINC000276102587	389515329	/nfs/dbraw/zinc/51/53/29/389515329.db2.gz	JBLUTHHHJJLZMW-VHSXEESVSA-N	-1	0	261.343	0.935	20	30		CCEDRM
Cc1noc([C@@H](C)[N-]S(=O)(=O)c2cccnc2C#N)n1	ZINC000428242356	389688399	/nfs/dbraw/zinc/68/83/99/389688399.db2.gz	LXOWEHDHZFPPPZ-SSDOTTSWSA-N	-1	0	293.308	0.684	20	30		CCEDRM
N#Cc1csc(CN[C@]2(C(=O)[O-])CCOC2)c1	ZINC000417561295	389831021	/nfs/dbraw/zinc/83/10/21/389831021.db2.gz	DDARKBQWZJSBGA-LLVKDONJSA-N	-1	0	252.295	0.953	20	30		CCEDRM
Cc1[n-][nH]c(=NC(=O)c2cc([N+](=O)[O-])cnc2C)c1C#N	ZINC000431670854	389864186	/nfs/dbraw/zinc/86/41/86/389864186.db2.gz	AUWFCOYJVHFCAX-UHFFFAOYSA-N	-1	0	286.251	0.876	20	30		CCEDRM
C[C@H](CN(C)C(=O)c1ccc(C#N)c(O)c1)c1nnn[n-]1	ZINC000442814757	389864358	/nfs/dbraw/zinc/86/43/58/389864358.db2.gz	VLKBTRKPTOSLLU-MRVPVSSYSA-N	-1	0	286.295	0.653	20	30		CCEDRM
N#C[C@@]1(NC(=O)c2ccc([O-])c([N+](=O)[O-])c2)CCOC1	ZINC000436935502	389986998	/nfs/dbraw/zinc/98/69/98/389986998.db2.gz	CMUUWGXNBJYGSE-LBPRGKRZSA-N	-1	0	277.236	0.713	20	30		CCEDRM
C#CCCS(=O)(=O)[N-]C(=O)/C=C\c1cccnc1	ZINC000493024083	390118836	/nfs/dbraw/zinc/11/88/36/390118836.db2.gz	MQOKJSGEYJTXID-SREVYHEPSA-N	-1	0	264.306	0.564	20	30		CCEDRM
C#CCCS(=O)(=O)[N-]C(=O)/C=C\c1ncccc1C	ZINC000493790030	390127638	/nfs/dbraw/zinc/12/76/38/390127638.db2.gz	OHOAEGAJGZXNOM-FPLPWBNLSA-N	-1	0	278.333	0.873	20	30		CCEDRM
C=CCCO[C@@H](C)C(=O)N[C@H](C(=O)[O-])c1ccnn1C	ZINC000647773725	390167627	/nfs/dbraw/zinc/16/76/27/390167627.db2.gz	FNUINRNZSMRKRR-ONGXEEELSA-N	-1	0	281.312	0.643	20	30		CCEDRM
C=CCS(=O)(=O)[N-]C(=O)[C@@H](NC(=O)OC)[C@@H](C)CC	ZINC000496027923	390285381	/nfs/dbraw/zinc/28/53/81/390285381.db2.gz	RCRYKPWRSONFBB-IUCAKERBSA-N	-1	0	292.357	0.389	20	30		CCEDRM
C=CCn1cc(C(=O)N=c2cc(C)c(C)n[n-]2)nn1	ZINC000648289408	390353472	/nfs/dbraw/zinc/35/34/72/390353472.db2.gz	LNOHBRYHKGQIKP-UHFFFAOYSA-N	-1	0	258.285	0.545	20	30		CCEDRM
N#Cc1ccc(S(=O)(=O)N[C@H](C(=O)[O-])C2CC2)c(F)c1	ZINC000547891370	390407435	/nfs/dbraw/zinc/40/74/35/390407435.db2.gz	FJSYYMFTPMVXPP-NSHDSACASA-N	-1	0	298.295	0.839	20	30		CCEDRM
C=CCO[N-]C(=O)[C@H](COC)NC(=O)OC(C)(C)C	ZINC000497161398	390428848	/nfs/dbraw/zinc/42/88/48/390428848.db2.gz	AGBWKVNBARMWAE-VIFPVBQESA-N	-1	0	274.317	0.760	20	30		CCEDRM
N#CCC1(CS(=O)(=O)NCC2(C(=O)[O-])CC2)CC1	ZINC000515173484	390472722	/nfs/dbraw/zinc/47/27/22/390472722.db2.gz	DKGCWFYRJLSDKO-UHFFFAOYSA-N	-1	0	272.326	0.464	20	30		CCEDRM
C=CC[C@H](NS(=O)(=O)[C@H]1CCO[C@@H]1C)C(=O)[O-]	ZINC000646041149	390581146	/nfs/dbraw/zinc/58/11/46/390581146.db2.gz	YXCOCIGCQRAETF-VGMNWLOBSA-N	-1	0	263.315	0.113	20	30		CCEDRM
C=CCn1cc(C(=O)NC[C@@H](C)CC(=O)[O-])nn1	ZINC000649247851	390536572	/nfs/dbraw/zinc/53/65/72/390536572.db2.gz	OYBKUEWJCQKAKR-QMMMGPOBSA-N	-1	0	252.274	0.305	20	30		CCEDRM
C=CCn1cc(C(=O)N[C@H](C(=O)[O-])[C@@H]2CCCOC2)nn1	ZINC000649248169	390537501	/nfs/dbraw/zinc/53/75/01/390537501.db2.gz	FOKCVYCUNZTZKH-KOLCDFICSA-N	-1	0	294.311	0.074	20	30		CCEDRM
C=CCOCCNc1ccc(C(=O)[O-])c(OC)n1	ZINC000649394116	390617942	/nfs/dbraw/zinc/61/79/42/390617942.db2.gz	JKOVSZCAWMTBFU-UHFFFAOYSA-N	-1	0	252.270	0.825	20	30		CCEDRM
C=CCCCN(C)S(=O)(=O)N1CCC[C@@H]1C(=O)[O-]	ZINC000567799172	390711061	/nfs/dbraw/zinc/71/10/61/390711061.db2.gz	FAGUIMPSAQDQEY-SNVBAGLBSA-N	-1	0	276.358	0.678	20	30		CCEDRM
CNC(=O)C(C#N)=C([O-])c1ccc2c(c1)N(C)C(=O)CO2	ZINC000528925250	390783813	/nfs/dbraw/zinc/78/38/13/390783813.db2.gz	UGCNIARXRIKIHT-SECBINFHSA-N	-1	0	287.275	0.110	20	30		CCEDRM
N#CC(C(=O)NC1CC1)=C([O-])c1cnn(C2CC2)c1	ZINC000528922142	390783814	/nfs/dbraw/zinc/78/38/14/390783814.db2.gz	XZNSUPSANLUBHT-LLVKDONJSA-N	-1	0	258.281	0.819	20	30		CCEDRM
CC(C)[C@@H](NS(=O)(=O)c1cncc(C#N)c1)C(=O)[O-]	ZINC000261586795	131154364	/nfs/dbraw/zinc/15/43/64/131154364.db2.gz	JCZHRMMQNIKOEF-SNVBAGLBSA-N	-1	0	283.309	0.341	20	30		CCEDRM
C#Cc1cccc(NC(=O)CNC(=O)[C@@H]2C[C@@H]2C(=O)[O-])c1	ZINC000262651171	131247082	/nfs/dbraw/zinc/24/70/82/131247082.db2.gz	RXBYGZLCJCMGMS-NEPJUHHUSA-N	-1	0	286.287	0.443	20	30		CCEDRM
C=CCCS(=O)(=O)[N-]c1ccn(CC(=O)N(C)C)n1	ZINC000269280867	132148983	/nfs/dbraw/zinc/14/89/83/132148983.db2.gz	FJRJWEHCSXUWJA-UHFFFAOYSA-N	-1	0	286.357	0.289	20	30		CCEDRM
Cc1oc(C#N)cc1C(=O)[N-]S(=O)(=O)[C@@H]1CCCOC1	ZINC000408483191	144476037	/nfs/dbraw/zinc/47/60/37/144476037.db2.gz	BEZKPGRBEUAXCJ-SNVBAGLBSA-N	-1	0	298.320	0.698	20	30		CCEDRM
COC[C@H](C(=O)[O-])N(C)S(=O)(=O)c1ccc(C#N)cc1	ZINC000548560475	286048174	/nfs/dbraw/zinc/04/81/74/286048174.db2.gz	LPTZFRNNEVQAPG-LLVKDONJSA-N	-1	0	298.320	0.278	20	30		CCEDRM
C=CCOCCNC(=O)c1cc(C(=O)[O-])ccn1	ZINC000659226465	413345333	/nfs/dbraw/zinc/34/53/33/413345333.db2.gz	DHLGQGIEAWSYLD-UHFFFAOYSA-N	-1	0	250.254	0.712	20	30		CCEDRM
N#CCNS(=O)(=O)c1cc(C(=O)[O-])ccc1Cl	ZINC000013252284	170541120	/nfs/dbraw/zinc/54/11/20/170541120.db2.gz	JBFUDVZWYLSULB-UHFFFAOYSA-N	-1	0	274.685	0.840	20	30		CCEDRM
C=C[C@@H]1OCC[C@H]1NC(=O)N=c1cc(C)c(C)n[n-]1	ZINC000652533124	412067967	/nfs/dbraw/zinc/06/79/67/412067967.db2.gz	XZPDGLPZWRVBSQ-MNOVXSKESA-N	-1	0	262.313	0.980	20	30		CCEDRM
N#Cc1ccccc1S(=O)(=O)NCCC(=O)[O-]	ZINC000021009411	171285754	/nfs/dbraw/zinc/28/57/54/171285754.db2.gz	VMFQDEQZPZUXEK-UHFFFAOYSA-N	-1	0	254.267	0.311	20	30		CCEDRM
C#CCNS(=O)(=O)c1ccc(F)c(C(=O)[O-])c1F	ZINC000021515561	171312098	/nfs/dbraw/zinc/31/20/98/171312098.db2.gz	UPHRBQZGXCYYEA-UHFFFAOYSA-N	-1	0	275.232	0.575	20	30		CCEDRM
C=CCCCS(=O)(=O)N[C@@H](Cc1ccncc1)C(=O)[O-]	ZINC000653496102	412307951	/nfs/dbraw/zinc/30/79/51/412307951.db2.gz	FMVUXPDGPNMBME-LBPRGKRZSA-N	-1	0	298.364	0.963	20	30		CCEDRM
C=CCCS(=O)(=O)N[C@@H](Cc1ccncc1)C(=O)[O-]	ZINC000653497204	412308444	/nfs/dbraw/zinc/30/84/44/412308444.db2.gz	WCIARBAXFTZLNY-NSHDSACASA-N	-1	0	284.337	0.573	20	30		CCEDRM
C=CCCNC(=O)C(=O)N1CCC[C@H](CC(=O)[O-])C1	ZINC000659664017	413760040	/nfs/dbraw/zinc/76/00/40/413760040.db2.gz	NIRVNELTJQOGCS-SNVBAGLBSA-N	-1	0	268.313	0.392	20	30		CCEDRM
CC(C)(C(=O)[N-]OCC(N)=O)c1cc(F)cc(C#N)c1	ZINC000285500925	196306248	/nfs/dbraw/zinc/30/62/48/196306248.db2.gz	AUFSAJQMJBTLQQ-UHFFFAOYSA-N	-1	0	279.271	0.508	20	30		CCEDRM
C[C@@H](Oc1ccccc1C#N)C(=O)NCCC(=O)[O-]	ZINC000037433788	173204453	/nfs/dbraw/zinc/20/44/53/173204453.db2.gz	BTAIUDBVRAZLNP-SECBINFHSA-N	-1	0	262.265	0.916	20	30		CCEDRM
C[C@H](C#N)CN(C)S(=O)(=O)N1CCC[C@H](C(=O)[O-])C1	ZINC000037838579	173796143	/nfs/dbraw/zinc/79/61/43/173796143.db2.gz	WBKUUZZAECUBEG-ZJUUUORDSA-N	-1	0	289.357	0.119	20	30		CCEDRM
C=CCN(CC=C)C(=O)C(=O)NC[C@@H](C(=O)[O-])C1CCC1	ZINC000663633823	415098544	/nfs/dbraw/zinc/09/85/44/415098544.db2.gz	KEMWFRLKGMZJJZ-GFCCVEGCSA-N	-1	0	294.351	0.804	20	30		CCEDRM
C[C@@H]1CN(C(=O)N=c2cn[n-]s2)CCS1(=O)=O	ZINC000330242072	228077207	/nfs/dbraw/zinc/07/72/07/228077207.db2.gz	FZPOITLMHYOEOB-ZCFIWIBFSA-N	-1	0	276.343	0.203	20	30		CCEDRM
N#C[C@@H]1CN(C(=O)N=c2ccc(C3CC3)n[n-]2)CCO1	ZINC000333253438	228194772	/nfs/dbraw/zinc/19/47/72/228194772.db2.gz	YXOSHMQQBIQAAF-SNVBAGLBSA-N	-1	0	273.296	0.532	20	30		CCEDRM
COC(=O)N[N-]S(=O)(=O)c1ccc(OC)cc1C	ZINC000048652870	260201575	/nfs/dbraw/zinc/20/15/75/260201575.db2.gz	WBGDHUYNCPXAMS-UHFFFAOYSA-N	-1	0	274.298	0.757	20	30		CCEDRM
C=C[C@H](CCC(=O)[O-])NS(=O)(=O)N(C)CC1CC1	ZINC000518478946	260436455	/nfs/dbraw/zinc/43/64/55/260436455.db2.gz	VTCHAJAYTHANBZ-SNVBAGLBSA-N	-1	0	276.358	0.582	20	30		CCEDRM
Cc1nc(S(=O)(=O)[N-]c2ccn(CCC#N)n2)c[nH]1	ZINC000117740921	260686854	/nfs/dbraw/zinc/68/68/54/260686854.db2.gz	BXPWYIKIBMDBSO-UHFFFAOYSA-N	-1	0	280.313	0.629	20	30		CCEDRM
CO/N=C/c1ccc(C(=O)N(C)CC(=O)[O-])cc1	ZINC000153091800	261073624	/nfs/dbraw/zinc/07/36/24/261073624.db2.gz	LFAAHYQDSQBTKX-NTUHNPAUSA-N	-1	0	250.254	0.824	20	30		CCEDRM
CC(C)([N-]C(=O)C(F)(F)F)C(=O)N1CC(C)(C#N)C1	ZINC000280378226	263060845	/nfs/dbraw/zinc/06/08/45/263060845.db2.gz	FJQGXRNTLJBTMX-UHFFFAOYSA-N	-1	0	277.246	0.816	20	30		CCEDRM
C=CCN(CCC#N)C(=O)CSc1n[nH]c(=O)[n-]1	ZINC000293968045	263153527	/nfs/dbraw/zinc/15/35/27/263153527.db2.gz	WQTYHDKXAVPBBE-UHFFFAOYSA-N	-1	0	267.314	0.118	20	30		CCEDRM
CCSc1n[n-]c(=NC(=O)N[C@@H](C)CO)s1	ZINC000330665404	263992707	/nfs/dbraw/zinc/99/27/07/263992707.db2.gz	ZPHDKTGQAZZBAE-YFKPBYRVSA-N	-1	0	262.360	0.779	20	30		CCEDRM
CC[C@H](C)N(CC(=O)[O-])S(=O)(=O)N(C)[C@@H](C)CC#N	ZINC000417414468	264228266	/nfs/dbraw/zinc/22/82/66/264228266.db2.gz	CYLVTAZHHHDJNC-UWVGGRQHSA-N	-1	0	291.373	0.650	20	30		CCEDRM
C=CC[C@@H](NS(=O)(=O)c1c(C)n[nH]c1C)C(=O)[O-]	ZINC000161284289	264279790	/nfs/dbraw/zinc/27/97/90/264279790.db2.gz	ILTUPHFNZJQOTP-MRVPVSSYSA-N	-1	0	273.314	0.334	20	30		CCEDRM
C=CC[C@@H](NS(=O)(=O)c1cn(C)c(C)n1)C(=O)[O-]	ZINC000161284032	264280279	/nfs/dbraw/zinc/28/02/79/264280279.db2.gz	NNLWAHDMCDZHRV-MRVPVSSYSA-N	-1	0	273.314	0.036	20	30		CCEDRM
C=C[C@](C)(O)CC(=O)N=c1nc([C@H](C)OC)[n-]s1	ZINC000356277778	266085915	/nfs/dbraw/zinc/08/59/15/266085915.db2.gz	HTWAFDQXTXPISA-CPCISQLKSA-N	-1	0	271.342	0.933	20	30		CCEDRM
COc1n[n-]c(=NC(=O)N2CCC(C#N)CC2)s1	ZINC000356467749	266119660	/nfs/dbraw/zinc/11/96/60/266119660.db2.gz	OWGNWHIDYZKQGQ-UHFFFAOYSA-N	-1	0	267.314	0.736	20	30		CCEDRM
C=CCN(CC(=O)[O-])S(=O)(=O)C[C@@H]1CCCCO1	ZINC000275219532	277842659	/nfs/dbraw/zinc/84/26/59/277842659.db2.gz	DEOOABYAUSGBIM-JTQLQIEISA-N	-1	0	277.342	0.458	20	30		CCEDRM
COc1ccc(=NC(=O)N[C@@H]2C[C@@H]3OCCC[C@@H]23)[n-]n1	ZINC000329029892	295064775	/nfs/dbraw/zinc/06/47/75/295064775.db2.gz	KYDHVSAEAXGUIG-AEJSXWLSSA-N	-1	0	278.312	0.801	20	30		CCEDRM
COc1ccc(=NC(=O)N[C@@H]2CCC[C@@H]2C#N)[n-]n1	ZINC000346679124	295074012	/nfs/dbraw/zinc/07/40/12/295074012.db2.gz	ZBZPWEDVHRONOE-RKDXNWHRSA-N	-1	0	261.285	0.721	20	30		CCEDRM
C=CCOCCNC(=O)NC[C@@H](C(=O)[O-])C(C)C	ZINC000394127013	545087888	/nfs/dbraw/zinc/08/78/88/545087888.db2.gz	IIVKJNWDAZGOBP-SNVBAGLBSA-N	-1	0	258.318	0.845	20	30		CCEDRM
C=CCN(CC(=O)[O-])S(=O)(=O)C[C@H](C)COCC	ZINC000563081984	327903891	/nfs/dbraw/zinc/90/38/91/327903891.db2.gz	UJICVLLKZTYFJU-SNVBAGLBSA-N	-1	0	279.358	0.561	20	30		CCEDRM
C=C[C@H](CCC(=O)[O-])NS(=O)(=O)N(C)[C@H](C)CC#N	ZINC000571645732	328190080	/nfs/dbraw/zinc/19/00/80/328190080.db2.gz	ITMVSACMBGSARP-NXEZZACHSA-N	-1	0	289.357	0.474	20	30		CCEDRM
C=CCCCS(=O)(=O)N1CSC[C@H]1C(=O)[O-]	ZINC000291943719	328194849	/nfs/dbraw/zinc/19/48/49/328194849.db2.gz	YLPAHYHGFMWTAG-QMMMGPOBSA-N	-1	0	265.356	0.742	20	30		CCEDRM
CCN(CC#N)S(=O)(=O)c1cc(C(=O)[O-])c(O)cc1C	ZINC000273694439	328205624	/nfs/dbraw/zinc/20/56/24/328205624.db2.gz	MPOGVMHYNHJNHU-UHFFFAOYSA-N	-1	0	298.320	0.933	20	30		CCEDRM
C=CCN=c1[n-]nc(S[C@H]2CCN(C)C2=O)s1	ZINC000340845654	328400603	/nfs/dbraw/zinc/40/06/03/328400603.db2.gz	KWVFFQDRAHJQGZ-ZETCQYMHSA-N	-1	0	270.383	0.881	20	30		CCEDRM
C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)[C@@H]1CC[C@@H](C(=O)[O-])O1	ZINC000281499924	328501786	/nfs/dbraw/zinc/50/17/86/328501786.db2.gz	FMEKXQWLZYMZCW-RHYQMDGZSA-N	-1	0	283.324	0.716	20	30		CCEDRM
C=C(C)[C@H]1OCC[C@H]1C(=O)NC[C@H](OC)C(=O)[O-]	ZINC000569490059	327185022	/nfs/dbraw/zinc/18/50/22/327185022.db2.gz	XUAYWIFNGKCDTP-KXUCPTDWSA-N	-1	0	257.286	0.183	20	30		CCEDRM
CC1(C#N)CCN(C(=O)C(=O)NCCCC(=O)[O-])CC1	ZINC000566241029	327256516	/nfs/dbraw/zinc/25/65/16/327256516.db2.gz	QJBGUKLIFLPXEA-UHFFFAOYSA-N	-1	0	281.312	0.120	20	30		CCEDRM
C=CCOC[C@@H](NC(=O)NCc1cc(CC)no1)C(=O)[O-]	ZINC000562457228	327482645	/nfs/dbraw/zinc/48/26/45/327482645.db2.gz	DKXPSTSKWZYDSV-LLVKDONJSA-N	-1	0	297.311	0.692	20	30		CCEDRM
C=CCOC[C@H](NC(=O)NC[C@]1(C)CCOC1)C(=O)[O-]	ZINC000562459799	327482689	/nfs/dbraw/zinc/48/26/89/327482689.db2.gz	RYXJPJITPVMLHP-GWCFXTLKSA-N	-1	0	286.328	0.368	20	30		CCEDRM
C=CCCS(=O)(=O)N(CCC(=O)[O-])C[C@H]1CCCO1	ZINC000570157919	327572663	/nfs/dbraw/zinc/57/26/63/327572663.db2.gz	GONWSTNEDPITNK-LLVKDONJSA-N	-1	0	291.369	0.848	20	30		CCEDRM
C=C[C@@H]1OCC[C@H]1CNS(=O)(=O)c1c(C)onc1N	ZINC000582544746	329104673	/nfs/dbraw/zinc/10/46/73/329104673.db2.gz	KEXXBVROYQDVTI-IUCAKERBSA-N	-1	0	287.341	0.265	20	30		CCEDRM
C=CCCn1cc(C(=O)N(CC)CC(=O)[O-])nn1	ZINC000425252350	329650949	/nfs/dbraw/zinc/65/09/49/329650949.db2.gz	ZFJFUTWZYPEGTP-UHFFFAOYSA-N	-1	0	252.274	0.401	20	30		CCEDRM
C=CCCC[C@@H](C)NC(=O)C(=O)NCCCC(=O)[O-]	ZINC000420551949	329777876	/nfs/dbraw/zinc/77/78/76/329777876.db2.gz	GSOBJGBUALLVSQ-SNVBAGLBSA-N	-1	0	270.329	0.828	20	30		CCEDRM
C=CCNC(=O)c1ccc(N2CC[C@@H](C(=O)[O-])C2)nc1	ZINC000262065232	329999318	/nfs/dbraw/zinc/99/93/18/329999318.db2.gz	AVHMKIRMAROJFD-LLVKDONJSA-N	-1	0	275.308	0.908	20	30		CCEDRM
C[C@@H](CN(C)S(=O)(=O)CC1(C#N)CC1)C(=O)[O-]	ZINC000262494417	330017662	/nfs/dbraw/zinc/01/76/62/330017662.db2.gz	XYGCOMQDDURWBK-QMMMGPOBSA-N	-1	0	260.315	0.272	20	30		CCEDRM
C=CCC[C@H](NC(=O)CS(=O)(=O)CCC)C(=O)[O-]	ZINC000262786302	330031274	/nfs/dbraw/zinc/03/12/74/330031274.db2.gz	BMRJNBFDYOEBBN-VIFPVBQESA-N	-1	0	277.342	0.347	20	30		CCEDRM
C=CCOC[C@@H](NC(=O)CCc1ccoc1)C(=O)[O-]	ZINC000262914083	330036958	/nfs/dbraw/zinc/03/69/58/330036958.db2.gz	FQKLTOGGYFMUQJ-LLVKDONJSA-N	-1	0	267.281	0.984	20	30		CCEDRM
C=CCOC[C@H](NC(=O)COc1ccccc1F)C(=O)[O-]	ZINC000262993053	330038182	/nfs/dbraw/zinc/03/81/82/330038182.db2.gz	LOFBEBAJLYICTO-NSHDSACASA-N	-1	0	297.282	0.977	20	30		CCEDRM
C=CCOC[C@H](NC(=O)COCC(F)(F)F)C(=O)[O-]	ZINC000263031528	330039742	/nfs/dbraw/zinc/03/97/42/330039742.db2.gz	OPMCIQZAAZGHBM-ZETCQYMHSA-N	-1	0	285.218	0.337	20	30		CCEDRM
C=CCOC[C@H](NC(=O)C[C@H]1CCCO1)C(=O)[O-]	ZINC000263064379	330041700	/nfs/dbraw/zinc/04/17/00/330041700.db2.gz	QVRWDSRFCMAHEJ-ZJUUUORDSA-N	-1	0	257.286	0.328	20	30		CCEDRM
C=CCOC[C@@H](NC(=O)[C@@]1(C)CC1(F)F)C(=O)[O-]	ZINC000263294035	330051760	/nfs/dbraw/zinc/05/17/60/330051760.db2.gz	ZFBFUVJQANVHKK-GMSGAONNSA-N	-1	0	263.240	0.804	20	30		CCEDRM
C#C[C@H](NC(=O)N1CC[C@](C)(C(=O)[O-])C1)[C@@H]1CCCO1	ZINC000263341236	330052704	/nfs/dbraw/zinc/05/27/04/330052704.db2.gz	FKGGNFGTDRPLSK-MJVIPROJSA-N	-1	0	280.324	0.673	20	30		CCEDRM
C=CCCCN(C)C(=O)C(=O)N1CC[C@H](C(=O)[O-])C1	ZINC000422834863	330156909	/nfs/dbraw/zinc/15/69/09/330156909.db2.gz	OJBCLMUXZAFGSB-JTQLQIEISA-N	-1	0	268.313	0.344	20	30		CCEDRM
C=C(C)CN(C)C(=O)C(=O)N1CCC[C@H](C(=O)[O-])C1	ZINC000422863241	330158164	/nfs/dbraw/zinc/15/81/64/330158164.db2.gz	RJYAWPGEFZUGMI-JTQLQIEISA-N	-1	0	268.313	0.344	20	30		CCEDRM
C[C@@H]1CN(S(=O)(=O)N(C)CCC#N)CC[C@H]1C(=O)[O-]	ZINC000527484461	330249185	/nfs/dbraw/zinc/24/91/85/330249185.db2.gz	BNWVJCUMFMFPSG-NXEZZACHSA-N	-1	0	289.357	0.119	20	30		CCEDRM
C=CCCn1cc(C(=O)N2CCCC[C@@H]2C(=O)[O-])nn1	ZINC000424223591	330330133	/nfs/dbraw/zinc/33/01/33/330330133.db2.gz	IDFZFMLBSAPPIY-LLVKDONJSA-N	-1	0	278.312	0.934	20	30		CCEDRM
N#C[C@H]1CC[C@@H](NC(=O)C(=O)N2CCC[C@@H](C(=O)[O-])C2)C1	ZINC000424501613	330359967	/nfs/dbraw/zinc/35/99/67/330359967.db2.gz	FMRPQVLGFIJHPZ-HBNTYKKESA-N	-1	0	293.323	0.118	20	30		CCEDRM
C=CCn1c(=N)[n-]nc1SCc1ccnc(OC)n1	ZINC000450795631	331000064	/nfs/dbraw/zinc/00/00/64/331000064.db2.gz	UKMDTYRLPZYSPZ-UHFFFAOYSA-N	-1	0	278.341	0.968	20	30		CCEDRM
C#CCN(CC)C(=O)c1c[nH]c2nc(=O)[n-]c(=O)c-2c1	ZINC000490574130	332092486	/nfs/dbraw/zinc/09/24/86/332092486.db2.gz	FNDOXZKQXCBOOS-UHFFFAOYSA-N	-1	0	272.264	0.531	20	30		CCEDRM
Cn1nccc1/C=C\C(=O)[N-]S(=O)(=O)CCCC#N	ZINC000492367481	332394393	/nfs/dbraw/zinc/39/43/93/332394393.db2.gz	PPIIHAAMMUVRBP-PLNGDYQASA-N	-1	0	282.325	0.183	20	30		CCEDRM
C=CCn1c(=N)[n-]nc1SCc1oncc1C(=O)OC	ZINC000505656243	332748276	/nfs/dbraw/zinc/74/82/76/332748276.db2.gz	BLLPLRZVDPMNJS-UHFFFAOYSA-N	-1	0	295.324	0.944	20	30		CCEDRM
CO[C@@H](C)c1nc(=NC(=O)NC[C@H](C)C#N)s[n-]1	ZINC000521118374	333111589	/nfs/dbraw/zinc/11/15/89/333111589.db2.gz	RDQXNYACRFGZLL-RQJHMYQMSA-N	-1	0	269.330	0.949	20	30		CCEDRM
C=C(C)CS(=O)(=O)N1C[C@H](C)O[C@H](C)[C@H]1C(=O)[O-]	ZINC000575926864	335132136	/nfs/dbraw/zinc/13/21/36/335132136.db2.gz	LLTYVWOSNKIYQO-AEJSXWLSSA-N	-1	0	277.342	0.455	20	30		CCEDRM
COC(=O)c1cnc(S(=O)(=O)CCC(C)(C)C#N)[n-]1	ZINC000576098740	335153004	/nfs/dbraw/zinc/15/30/04/335153004.db2.gz	ODFDLBIACBEUFZ-UHFFFAOYSA-N	-1	0	285.325	0.910	20	30		CCEDRM
C[C@@H](CCCNS(=O)(=O)CC1(C#N)CC1)C(=O)[O-]	ZINC000547896661	334128905	/nfs/dbraw/zinc/12/89/05/334128905.db2.gz	LDTFHGSDTIATJX-VIFPVBQESA-N	-1	0	274.342	0.710	20	30		CCEDRM
N#CC1(CS(=O)(=O)N[C@@H](C(=O)[O-])C2CC2)CC1	ZINC000547899434	334129028	/nfs/dbraw/zinc/12/90/28/334129028.db2.gz	WFLOFHBKRWOKMS-MRVPVSSYSA-N	-1	0	258.299	0.073	20	30		CCEDRM
C=CCN(CC(=O)[O-])S(=O)(=O)[C@@H](C)CCOC	ZINC000547905622	334129176	/nfs/dbraw/zinc/12/91/76/334129176.db2.gz	YJVCCUXFTJPHGV-VIFPVBQESA-N	-1	0	265.331	0.314	20	30		CCEDRM
C=CCN(CC(=O)[O-])S(=O)(=O)c1cncn1CC	ZINC000547903098	334129181	/nfs/dbraw/zinc/12/91/81/334129181.db2.gz	RRNNKFXFSXAKJY-UHFFFAOYSA-N	-1	0	273.314	0.164	20	30		CCEDRM
N#CC1(CS(=O)(=O)N[C@@H](C(=O)[O-])C2CCC2)CC1	ZINC000547939866	334129940	/nfs/dbraw/zinc/12/99/40/334129940.db2.gz	NHUJOUDGQVSAHZ-SECBINFHSA-N	-1	0	272.326	0.463	20	30		CCEDRM
CN(CCC#N)S(=O)(=O)Nc1cccc(C(=O)[O-])c1O	ZINC000548196611	334146314	/nfs/dbraw/zinc/14/63/14/334146314.db2.gz	CEJYIQUUWKCVJA-UHFFFAOYSA-N	-1	0	299.308	0.593	20	30		CCEDRM
CN(CCC#N)S(=O)(=O)N[C@@H](CC(C)(C)C)C(=O)[O-]	ZINC000548555104	334162534	/nfs/dbraw/zinc/16/25/34/334162534.db2.gz	SDDWFFKLIBYNHN-VIFPVBQESA-N	-1	0	291.373	0.556	20	30		CCEDRM
C=CCN(CC(=O)[O-])S(=O)(=O)c1ccccc1OC	ZINC000092464083	334419287	/nfs/dbraw/zinc/41/92/87/334419287.db2.gz	ROKIEBSZSLHTSL-UHFFFAOYSA-N	-1	0	285.321	0.957	20	30		CCEDRM
C=C(C)[C@H]1OCC[C@H]1C(=O)N=c1cc(C(=O)OCC)[n-][nH]1	ZINC000567052482	334676970	/nfs/dbraw/zinc/67/69/70/334676970.db2.gz	VHOSXMXZXNPHFC-BXKDBHETSA-N	-1	0	293.323	0.928	20	30		CCEDRM
C=CCC[C@H](NS(=O)(=O)c1c(C)n[nH]c1C)C(=O)[O-]	ZINC000316486564	334822134	/nfs/dbraw/zinc/82/21/34/334822134.db2.gz	QASRDYBRQFSOGO-VIFPVBQESA-N	-1	0	287.341	0.724	20	30		CCEDRM
C=CCC[C@H](NC(=O)[C@H]1CCCS1(=O)=O)C(=O)[O-]	ZINC000568412897	334823895	/nfs/dbraw/zinc/82/38/95/334823895.db2.gz	MUWOGJZJJQSACL-DTWKUNHWSA-N	-1	0	275.326	0.099	20	30		CCEDRM
C=CCOC[C@@H](NC(=O)NC[C@H](C)SC)C(=O)[O-]	ZINC000577342581	335340640	/nfs/dbraw/zinc/34/06/40/335340640.db2.gz	UFMCOLLOJHPZGC-DTWKUNHWSA-N	-1	0	276.358	0.693	20	30		CCEDRM
CC(C)(C#N)CS(=O)(=O)[N-]C(=O)C[C@@H]1CCOC1	ZINC000776137741	582053286	/nfs/dbraw/zinc/05/32/86/582053286.db2.gz	BJDLKBJCRAFVSO-VIFPVBQESA-N	-1	0	274.342	0.409	20	30		CCEDRM
Cc1ncc(C(=O)N=c2[nH][n-]c(C3CC3)c2C#N)c(N)n1	ZINC000581449291	336079600	/nfs/dbraw/zinc/07/96/00/336079600.db2.gz	LLRDTZDRDXSTGT-UHFFFAOYSA-N	-1	0	283.295	0.344	20	30		CCEDRM
C[C@@H](CN(C)C(=O)c1c[nH]c(C#N)c1)c1nnn[n-]1	ZINC000358400715	533726090	/nfs/dbraw/zinc/72/60/90/533726090.db2.gz	ZNUDNTAPZLHZTO-ZETCQYMHSA-N	-1	0	259.273	0.275	20	30		CCEDRM
CC(C)n1cc(C#N)c(=NC(=O)C(=O)N(C)CC(F)F)[n-]1	ZINC000359241663	519931613	/nfs/dbraw/zinc/93/16/13/519931613.db2.gz	HEXBEWJKCXNWBW-UHFFFAOYSA-N	-1	0	299.281	0.420	20	30		CCEDRM
N#Cc1cc(NCc2n[nH]c(=O)[n-]2)ccc1[N+](=O)[O-]	ZINC000361706888	534778681	/nfs/dbraw/zinc/77/86/81/534778681.db2.gz	CVJSRVITMKJULX-UHFFFAOYSA-N	-1	0	260.213	0.902	20	30		CCEDRM
C[C@H](NS(=O)(=O)c1cccc(Cl)c1C#N)C(=O)[O-]	ZINC000340455064	525508397	/nfs/dbraw/zinc/50/83/97/525508397.db2.gz	QVJSVHFALAFVCZ-LURJTMIESA-N	-1	0	288.712	0.963	20	30		CCEDRM
C=C[C@@](C)(O)CC(=O)N=c1nc(COC)[n-]s1	ZINC000355590532	527542851	/nfs/dbraw/zinc/54/28/51/527542851.db2.gz	VNKDWBRODTZXBZ-SNVBAGLBSA-N	-1	0	257.315	0.372	20	30		CCEDRM
C=CCOC[C@H](NC(=O)[C@H]1CO[C@@H](C)C1)C(=O)[O-]	ZINC000668290687	545171457	/nfs/dbraw/zinc/17/14/57/545171457.db2.gz	VTSLPQXJPINJMC-AEJSXWLSSA-N	-1	0	257.286	0.183	20	30		CCEDRM
CCN1CCCC[C@H]1C(=O)N=c1[nH][n-]c(C)c1C#N	ZINC000357249695	535495456	/nfs/dbraw/zinc/49/54/56/535495456.db2.gz	XQLHPKAYRBVSNU-NSHDSACASA-N	-1	0	261.329	0.825	20	30		CCEDRM
CCC[C@H](NS(=O)(=O)c1cnc(C)c(C#N)c1)C(=O)[O-]	ZINC000261760949	535706353	/nfs/dbraw/zinc/70/63/53/535706353.db2.gz	NVTBOFMMBRXJKN-NSHDSACASA-N	-1	0	297.336	0.793	20	30		CCEDRM
COc1cc(C)cnc1C(=O)N=c1[nH][n-]c(C)c1C#N	ZINC000357245734	536679772	/nfs/dbraw/zinc/67/97/72/536679772.db2.gz	QRXWDYHTEJPGEX-UHFFFAOYSA-N	-1	0	271.280	0.976	20	30		CCEDRM
C=CCS(=O)(=O)[N-]C(=O)Cc1ccc(F)cn1	ZINC000788202260	581226903	/nfs/dbraw/zinc/22/69/03/581226903.db2.gz	CXSFAGIEACMLQN-UHFFFAOYSA-N	-1	0	258.274	0.395	20	30		CCEDRM
C#CCCCCCC(=O)[N-]S(=O)(=O)N(C)CCOC	ZINC000780431790	581228102	/nfs/dbraw/zinc/22/81/02/581228102.db2.gz	ZIEBQIFVNQXRPM-UHFFFAOYSA-N	-1	0	290.385	0.509	20	30		CCEDRM
N#CC1(CS(=O)(=O)NC/C=C/C(=O)[O-])CCCC1	ZINC000788449881	581112006	/nfs/dbraw/zinc/11/20/06/581112006.db2.gz	YZILQPXROCENLM-ONEGZZNKSA-N	-1	0	272.326	0.631	20	30		CCEDRM
C[C@@H](Oc1ccc(C#N)cc1)C(=O)NC1CN(C(=O)[O-])C1	ZINC000739048312	581147100	/nfs/dbraw/zinc/14/71/00/581147100.db2.gz	KRBQLMWCOMPFRT-SECBINFHSA-N	-1	0	289.291	0.804	20	30		CCEDRM
C=CCS(=O)(=O)[N-]C(=O)[C@@H]1CC(=O)c2ccccc21	ZINC000789405235	581147873	/nfs/dbraw/zinc/14/78/73/581147873.db2.gz	JRNVGGFDHPGJIF-LLVKDONJSA-N	-1	0	279.317	0.989	20	30		CCEDRM
CC[C@H](NC(=O)[O-])C(=O)N[C@@]1(C#N)CCSC1	ZINC000739531119	581160386	/nfs/dbraw/zinc/16/03/86/581160386.db2.gz	XZSDKCKUWABESY-OIBJUYFYSA-N	-1	0	257.315	0.548	20	30		CCEDRM
N#CCN(CC(=O)[O-])C(=O)Cc1cc2ccccc2[nH]c1=O	ZINC000739078068	581172249	/nfs/dbraw/zinc/17/22/49/581172249.db2.gz	AAKKUWNXPGDSQB-UHFFFAOYSA-N	-1	0	299.286	0.920	20	30		CCEDRM
CCO[C@H](C)C(=O)[N-]S(=O)(=O)CC1(C#N)CCCC1	ZINC000779320814	581180780	/nfs/dbraw/zinc/18/07/80/581180780.db2.gz	DHQVXHQAHIAKMK-SNVBAGLBSA-N	-1	0	288.369	0.941	20	30		CCEDRM
O=C([O-])Cn1cc(C=NNc2ccc3n[nH]cc3c2)nn1	ZINC000779818123	581209067	/nfs/dbraw/zinc/20/90/67/581209067.db2.gz	IWEGDKHWYCATTC-UHFFFAOYSA-N	-1	0	285.267	0.685	20	30		CCEDRM
C=CCOCCCC(=O)N1CC(n2cc(C(=O)[O-])nn2)C1	ZINC000780317290	581224694	/nfs/dbraw/zinc/22/46/94/581224694.db2.gz	NPAQNTQOVZJUFI-UHFFFAOYSA-N	-1	0	294.311	0.342	20	30		CCEDRM
N#CCOC(=O)[C@@H]1CCCN1c1ccc(-c2nn[nH]n2)cc1	ZINC000737695747	581232386	/nfs/dbraw/zinc/23/23/86/581232386.db2.gz	MBLRYRTWKJEQIF-LBPRGKRZSA-N	-1	0	298.306	0.902	20	30		CCEDRM
Cc1cc(C)n([C@@H](C)CC(=O)N(CC#N)CC(=O)[O-])n1	ZINC000738371245	581278174	/nfs/dbraw/zinc/27/81/74/581278174.db2.gz	GMUAQIFDRPBFHM-NSHDSACASA-N	-1	0	278.312	0.888	20	30		CCEDRM
CC[C@@H](NN=C1CCC[C@H]1S(C)(=O)=O)C(=O)[O-]	ZINC000793072679	581283131	/nfs/dbraw/zinc/28/31/31/581283131.db2.gz	UZMGKUPUMKXKIQ-VXNVDRBHSA-N	-1	0	262.331	0.392	20	30		CCEDRM
CC[C@H](NN=Cc1cnc(N(C)C)s1)C(=O)[O-]	ZINC000793082369	581283690	/nfs/dbraw/zinc/28/36/90/581283690.db2.gz	WVQWTJZCEWSWRD-QMMMGPOBSA-N	-1	0	256.331	0.996	20	30		CCEDRM
COCCN(CCC#N)C(=O)C1CCN(C(=O)[O-])CC1	ZINC000738066218	581284390	/nfs/dbraw/zinc/28/43/90/581284390.db2.gz	WPKTXJNDJIILAO-UHFFFAOYSA-N	-1	0	283.328	0.765	20	30		CCEDRM
COCC1(C(=O)[N-]S(=O)(=O)CC(C)(C)C#N)CCC1	ZINC000793189540	581287440	/nfs/dbraw/zinc/28/74/40/581287440.db2.gz	IPRAUBXGYHIOPF-UHFFFAOYSA-N	-1	0	288.369	0.799	20	30		CCEDRM
CC[C@H](C)OCC(=O)[N-]S(=O)(=O)CC1(C#N)CC1	ZINC000793195208	581287809	/nfs/dbraw/zinc/28/78/09/581287809.db2.gz	AESGDZDCBGLKLA-VIFPVBQESA-N	-1	0	274.342	0.551	20	30		CCEDRM
COCCN(CC(=O)[O-])C(=O)c1ccc(C=NOC)cc1	ZINC000737775293	581312100	/nfs/dbraw/zinc/31/21/00/581312100.db2.gz	LZQFHIFEGAHFNN-UHFFFAOYSA-N	-1	0	294.307	0.840	20	30		CCEDRM
N#CCNC(=O)CN1CCCC[C@H]1[C@H]1CCCN1C(=O)[O-]	ZINC000740305328	581322425	/nfs/dbraw/zinc/32/24/25/581322425.db2.gz	LUSJVLZMTYFOBI-NWDGAFQWSA-N	-1	0	294.355	0.623	20	30		CCEDRM
COCCN(CC(=O)[O-])C(=O)c1ccccc1OCC#N	ZINC000737778508	581322883	/nfs/dbraw/zinc/32/28/83/581322883.db2.gz	IMWHNHPPNFWKBY-UHFFFAOYSA-N	-1	0	292.291	0.762	20	30		CCEDRM
N#CC1CCN(C(=O)[C@@H]2COCCN2C(=O)[O-])CC1	ZINC000740309726	581323797	/nfs/dbraw/zinc/32/37/97/581323797.db2.gz	MYQRYHNRXVGMRT-JTQLQIEISA-N	-1	0	267.285	0.127	20	30		CCEDRM
C#CCCN1CCN(C(=O)[C@H](CCC)NC(=O)[O-])CC1	ZINC000738457278	581331492	/nfs/dbraw/zinc/33/14/92/581331492.db2.gz	LNJZILYLXYIERJ-LBPRGKRZSA-N	-1	0	281.356	0.590	20	30		CCEDRM
C#CCN1CCN(C(=O)[C@@H](NC(=O)[O-])[C@@H](C)CC)CC1	ZINC000738460737	581333393	/nfs/dbraw/zinc/33/33/93/581333393.db2.gz	NGUCNAFAJKVFPA-RYUDHWBXSA-N	-1	0	281.356	0.446	20	30		CCEDRM
C[C@@H]1C[C@@H](Cn2ccc(C=NO)nc2=O)CCO1	ZINC000783027099	581334214	/nfs/dbraw/zinc/33/42/14/581334214.db2.gz	SLYPDQABQMUDMA-ZJUUUORDSA-N	-1	0	251.286	0.867	20	30		CCEDRM
C#Cc1ccc(C(=O)N(C)CCCNC(=O)[O-])nc1	ZINC000738470355	581343691	/nfs/dbraw/zinc/34/36/91/581343691.db2.gz	OHTOWWMSNIPJEH-UHFFFAOYSA-N	-1	0	261.281	0.793	20	30		CCEDRM
CCOCCC(=O)OCc1cc(=O)n2[n-]cc(C#N)c2n1	ZINC000783440626	581346992	/nfs/dbraw/zinc/34/69/92/581346992.db2.gz	KECGUGKRRDKQLM-UHFFFAOYSA-N	-1	0	290.279	0.776	20	30		CCEDRM
O=C([O-])c1ccc(C=NN2C(=O)CNC2=O)c(Cl)c1	ZINC000783865435	581366447	/nfs/dbraw/zinc/36/64/47/581366447.db2.gz	YVOFKBGVFFSWDC-UHFFFAOYSA-N	-1	0	281.655	0.924	20	30		CCEDRM
COCCN(CCC(=O)[O-])C(=O)CSCC#N	ZINC000737785652	581368002	/nfs/dbraw/zinc/36/80/02/581368002.db2.gz	DPGGFDYVWZIMOB-UHFFFAOYSA-N	-1	0	260.315	0.193	20	30		CCEDRM
CCOC1CC(C=Nn2c(=O)c(C)n[n-]c2=S)C1	ZINC000794863815	581389425	/nfs/dbraw/zinc/38/94/25/581389425.db2.gz	JQIYGEAOFITCKJ-UHFFFAOYSA-N	-1	0	268.342	0.884	20	30		CCEDRM
CCO[N-]C(=O)C(=O)Nc1ccccc1O[C@H](C)C#N	ZINC000785357302	581405978	/nfs/dbraw/zinc/40/59/78/581405978.db2.gz	DIMKSASDYMMXJY-SECBINFHSA-N	-1	0	277.280	0.984	20	30		CCEDRM
CCO[N-]C(=O)C(=O)Nc1ccc(F)cc1OCC#N	ZINC000785358443	581406273	/nfs/dbraw/zinc/40/62/73/581406273.db2.gz	MAWHTCCGJBRKFC-UHFFFAOYSA-N	-1	0	281.243	0.734	20	30		CCEDRM
C#CCOc1cc(F)ccc1NC(=O)C(=O)[N-]OC	ZINC000785369473	581406850	/nfs/dbraw/zinc/40/68/50/581406850.db2.gz	XVMNQPVTMGIFSY-UHFFFAOYSA-N	-1	0	266.228	0.454	20	30		CCEDRM
N#Cc1cc(C(=O)[N-]S(=O)(=O)CC2CCC2)ccn1	ZINC000796786104	581450659	/nfs/dbraw/zinc/45/06/59/581450659.db2.gz	GLKXKQNAOXDXNO-UHFFFAOYSA-N	-1	0	279.321	0.813	20	30		CCEDRM
C=CCS(=O)(=O)[N-]C(=O)C[C@H]1CCC(=O)[C@@H]1C	ZINC000796794159	581450821	/nfs/dbraw/zinc/45/08/21/581450821.db2.gz	YLIKCDBWKDPSCL-RKDXNWHRSA-N	-1	0	259.327	0.624	20	30		CCEDRM
Cn1ccc(CCC(=O)C(C#N)=C([O-])c2nccn2C)n1	ZINC000796979873	581456862	/nfs/dbraw/zinc/45/68/62/581456862.db2.gz	CSHXOSDPPUREFR-LLVKDONJSA-N	-1	0	285.307	0.678	20	30		CCEDRM
C=CCCCC(=O)[N-]S(=O)(=O)[C@@H](C)C(=O)OC	ZINC000797299645	581464371	/nfs/dbraw/zinc/46/43/71/581464371.db2.gz	RAAVXPQNXNKINS-QMMMGPOBSA-N	-1	0	263.315	0.350	20	30		CCEDRM
C[C@@H]1CN(C(=O)C2(C#N)CCOCC2)CCN1C(=O)[O-]	ZINC000739120752	581508013	/nfs/dbraw/zinc/50/80/13/581508013.db2.gz	JEERITKYRVAWQH-SNVBAGLBSA-N	-1	0	281.312	0.517	20	30		CCEDRM
N#Cc1ccc(OCC(=O)NCC(=O)[O-])cc1F	ZINC000739129330	581509110	/nfs/dbraw/zinc/50/91/10/581509110.db2.gz	UURKFAXMZRXISD-UHFFFAOYSA-N	-1	0	252.201	0.277	20	30		CCEDRM
CON=Cc1ccc(C(=O)OCc2nn(C)c(=O)[n-]2)cc1	ZINC000765387585	581510626	/nfs/dbraw/zinc/51/06/26/581510626.db2.gz	WGFQPZWAXKPVES-UHFFFAOYSA-N	-1	0	290.279	0.446	20	30		CCEDRM
N#Cc1cccc(OCCn2cnc(C(=O)[O-])n2)c1	ZINC000739140624	581510855	/nfs/dbraw/zinc/51/08/55/581510855.db2.gz	VVSQKLQMWJYHIR-UHFFFAOYSA-N	-1	0	258.237	0.927	20	30		CCEDRM
N#Cc1cnn(CCOC(=O)CCSCC(=O)[O-])c1N	ZINC000739145744	581511581	/nfs/dbraw/zinc/51/15/81/581511581.db2.gz	VVURILRDUMVKLL-UHFFFAOYSA-N	-1	0	298.324	0.088	20	30		CCEDRM
CCN(CC#N)C(=O)[C@H](CCSC)NC(=O)[O-]	ZINC000739386343	581544529	/nfs/dbraw/zinc/54/45/29/581544529.db2.gz	ZNOULADNUZDQSZ-QMMMGPOBSA-N	-1	0	259.331	0.748	20	30		CCEDRM
C#CCOCCNC(=O)c1ccc(-c2nc(=O)o[n-]2)cc1	ZINC000753519903	581545806	/nfs/dbraw/zinc/54/58/06/581545806.db2.gz	CHAKNWRCDJEFTH-UHFFFAOYSA-N	-1	0	287.275	0.410	20	30		CCEDRM
CCN(CCC#N)C(=O)CN1C[C@H](C)N(C(=O)[O-])[C@@H](C)C1	ZINC000739416082	581549267	/nfs/dbraw/zinc/54/92/67/581549267.db2.gz	XGLCDCQZIFNPJJ-RYUDHWBXSA-N	-1	0	296.371	0.821	20	30		CCEDRM
CCN(CCC#N)C(=O)CN1CC[C@H](NC(=O)[O-])C1	ZINC000739414662	581549455	/nfs/dbraw/zinc/54/94/55/581549455.db2.gz	ITYUFGDGQNIZEB-JTQLQIEISA-N	-1	0	268.317	0.090	20	30		CCEDRM
CC[C@H](NC(=O)[O-])C(=O)NCCNc1ncccc1C#N	ZINC000739531422	581567159	/nfs/dbraw/zinc/56/71/59/581567159.db2.gz	PPQOTOQKUVBARK-JTQLQIEISA-N	-1	0	291.311	0.528	20	30		CCEDRM
CN(C(=O)[O-])[C@@H]1CCCN(C(=O)C2(C#N)CCOCC2)C1	ZINC000739577306	581575018	/nfs/dbraw/zinc/57/50/18/581575018.db2.gz	WOSQTIXDTWMDJC-LLVKDONJSA-N	-1	0	295.339	0.908	20	30		CCEDRM
CN(C)C(=S)NN=C1CCC[C@H]1CNC(=O)[O-]	ZINC000739601454	581578762	/nfs/dbraw/zinc/57/87/62/581578762.db2.gz	FAZYKKSLWGKNRG-ZETCQYMHSA-N	-1	0	258.347	0.846	20	30		CCEDRM
CN(C[C@H]1CCN(S(=O)(=O)CCCC#N)C1)C(=O)[O-]	ZINC000739665322	581589222	/nfs/dbraw/zinc/58/92/22/581589222.db2.gz	RNMOFLUQLPZIHC-SNVBAGLBSA-N	-1	0	289.357	0.552	20	30		CCEDRM
CN(C(=O)COC(=O)[C@@H]1CCN(C(=O)[O-])C1)C(C)(C)C#N	ZINC000739571894	581591971	/nfs/dbraw/zinc/59/19/71/581591971.db2.gz	JDFKHXCGJPKTHR-SECBINFHSA-N	-1	0	297.311	0.290	20	30		CCEDRM
CC(=NNc1nnc(C)c(=O)[n-]1)c1cc(C(N)=O)n(C)c1	ZINC000767032819	581592813	/nfs/dbraw/zinc/59/28/13/581592813.db2.gz	NNKUTUGZPBTXJP-UHFFFAOYSA-N	-1	0	289.299	0.159	20	30		CCEDRM
C#CCCS(=O)(=O)[N-]C(=O)c1cc(OC)ccc1OC	ZINC000788067492	581610496	/nfs/dbraw/zinc/61/04/96/581610496.db2.gz	FANHPCNBRVFHBU-UHFFFAOYSA-N	-1	0	297.332	0.787	20	30		CCEDRM
CN(CC#N)C(=O)c1csc(CNC(=O)[O-])n1	ZINC000739618018	581616703	/nfs/dbraw/zinc/61/67/03/581616703.db2.gz	ULIDYMVYXHPUHC-UHFFFAOYSA-N	-1	0	254.271	0.506	20	30		CCEDRM
C=CCOCC(=O)[N-]S(=O)(=O)c1ccccc1	ZINC000729884394	581617500	/nfs/dbraw/zinc/61/75/00/581617500.db2.gz	KXRDEZZOJTWNKX-UHFFFAOYSA-N	-1	0	255.295	0.694	20	30		CCEDRM
C=CCOCC(=O)[N-]S(=O)(=O)c1ccc(C(C)=O)cc1	ZINC000729887226	581618164	/nfs/dbraw/zinc/61/81/64/581618164.db2.gz	PUGODOGZWRTLAM-UHFFFAOYSA-N	-1	0	297.332	0.897	20	30		CCEDRM
C=CCOCC(=O)[N-]S(=O)(=O)c1ccc(C#N)cc1	ZINC000729886571	581618205	/nfs/dbraw/zinc/61/82/05/581618205.db2.gz	JEEMSFFBWJLVQA-UHFFFAOYSA-N	-1	0	280.305	0.566	20	30		CCEDRM
C=CCNC(=O)C(C#N)=C([O-])c1ccc2nnn(C)c2c1	ZINC000755602424	581648302	/nfs/dbraw/zinc/64/83/02/581648302.db2.gz	DNTBUAVNVMTXCV-SNVBAGLBSA-N	-1	0	283.291	0.593	20	30		CCEDRM
Cc1nn(CCC#N)c(C)c1CCC(=O)NCC(=O)[O-]	ZINC000740251244	581651579	/nfs/dbraw/zinc/65/15/79/581651579.db2.gz	DPAFSEBVJUJEAF-UHFFFAOYSA-N	-1	0	278.312	0.547	20	30		CCEDRM
CC#CCS(=O)(=O)[N-]C(=O)c1cccc(N(C)C)c1	ZINC000788072859	581658425	/nfs/dbraw/zinc/65/84/25/581658425.db2.gz	XRNXAGUDAWHJKD-UHFFFAOYSA-N	-1	0	280.349	0.836	20	30		CCEDRM
N#CCCCCNC(=O)N[C@@H]1CCN(C(=O)[O-])C1	ZINC000740306417	581663092	/nfs/dbraw/zinc/66/30/92/581663092.db2.gz	GKGWIKOLDJMOIN-SECBINFHSA-N	-1	0	254.290	0.732	20	30		CCEDRM
N#CCCCS(=O)(=O)NCCN(C(=O)[O-])C1CC1	ZINC000740309183	581663437	/nfs/dbraw/zinc/66/34/37/581663437.db2.gz	WZUQJELVBQUVHI-UHFFFAOYSA-N	-1	0	275.330	0.352	20	30		CCEDRM
N#CC1(C(=O)N2CC[C@@H](NC(=O)[O-])C2)CCOCC1	ZINC000740308694	581663481	/nfs/dbraw/zinc/66/34/81/581663481.db2.gz	AQZULTXLMDXQTK-SECBINFHSA-N	-1	0	267.285	0.175	20	30		CCEDRM
N#C[C@@H]1CN(C(=O)[C@@H]2CCC[C@H](NC(=O)[O-])C2)CCO1	ZINC000740309670	581663895	/nfs/dbraw/zinc/66/38/95/581663895.db2.gz	LHLXVALHKAYLKC-OUAUKWLOSA-N	-1	0	281.312	0.564	20	30		CCEDRM
N#Cc1cc(C#N)c(SCCNC(=O)[O-])nc1N	ZINC000740310778	581664016	/nfs/dbraw/zinc/66/40/16/581664016.db2.gz	JRSFYWMLBQHRSM-UHFFFAOYSA-N	-1	0	263.282	0.767	20	30		CCEDRM
N#CC1(NC(=O)CN2CC[C@H](NC(=O)[O-])C2)CCCCC1	ZINC000740309501	581664087	/nfs/dbraw/zinc/66/40/87/581664087.db2.gz	KDDWJZDCKYRURV-NSHDSACASA-N	-1	0	294.355	0.671	20	30		CCEDRM
N#CCn1cc(NC(=O)[C@@H]2CCCCN2C(=O)[O-])cn1	ZINC000740311938	581664737	/nfs/dbraw/zinc/66/47/37/581664737.db2.gz	WMTNKTHNCGEOMZ-JTQLQIEISA-N	-1	0	277.284	0.878	20	30		CCEDRM
N#Cc1ccccc1COC(=O)[C@@H]1C[C@@H](O)CN1C(=O)[O-]	ZINC000740323078	581666058	/nfs/dbraw/zinc/66/60/58/581666058.db2.gz	HPXBNIISCMPETJ-NEPJUHHUSA-N	-1	0	290.275	0.715	20	30		CCEDRM
C=C(C)[C@@H](CC(=O)[N-]S(=O)(=O)N(C)CC)OCC	ZINC000756567800	581672008	/nfs/dbraw/zinc/67/20/08/581672008.db2.gz	MUAXMMOPLRRWNG-SNVBAGLBSA-N	-1	0	278.374	0.670	20	30		CCEDRM
O=C([O-])N1C[C@H](O)C[C@@H]1C(=O)NCC#Cc1ccccc1	ZINC000740403525	581676883	/nfs/dbraw/zinc/67/68/83/581676883.db2.gz	CSSIGBDZQPSLBK-CHWSQXEVSA-N	-1	0	288.303	0.268	20	30		CCEDRM
COC(=O)CCC(C)N=Nc1nc2[nH][nH]cc-2c(=O)n1	ZINC000756888292	581684102	/nfs/dbraw/zinc/68/41/02/581684102.db2.gz	AQCAMFDEOYGDEF-UHFFFAOYSA-N	-1	0	278.272	0.173	20	30		CCEDRM
C#CCNC(=O)CN(C)[C@@H](C(=O)[O-])c1ccccc1	ZINC000736078566	581686068	/nfs/dbraw/zinc/68/60/68/581686068.db2.gz	BUJIVUCWAYDPKM-CYBMUJFWSA-N	-1	0	260.293	0.494	20	30		CCEDRM
C=CCNC(=O)C(=O)Nc1ccc(CNC(=O)[O-])cc1	ZINC000736106348	581696711	/nfs/dbraw/zinc/69/67/11/581696711.db2.gz	APAFZPRINQUCBL-UHFFFAOYSA-N	-1	0	277.280	0.695	20	30		CCEDRM
C#Cc1cccc(NC(=O)C(=O)NCCCC(=O)[O-])c1	ZINC000736091488	581701203	/nfs/dbraw/zinc/70/12/03/581701203.db2.gz	WKPCLAVZKLBHFC-UHFFFAOYSA-N	-1	0	274.276	0.587	20	30		CCEDRM
C=CCCCC(=O)[N-]S(=O)(=O)N(C)CCOC	ZINC000757326238	581701300	/nfs/dbraw/zinc/70/13/00/581701300.db2.gz	VCIDEAUYPYBLHR-UHFFFAOYSA-N	-1	0	264.347	0.282	20	30		CCEDRM
CC(=O)Nc1cccc(C(=O)N(CC#N)CC(=O)[O-])c1	ZINC000736165779	581710986	/nfs/dbraw/zinc/71/09/86/581710986.db2.gz	QVGCCMZSOCIAOV-UHFFFAOYSA-N	-1	0	275.264	0.695	20	30		CCEDRM
CC(=O)c1ccc(C(=O)N(CC#N)CC(=O)[O-])cc1	ZINC000736185104	581712106	/nfs/dbraw/zinc/71/21/06/581712106.db2.gz	CFVNSCWWVLTAMN-UHFFFAOYSA-N	-1	0	260.249	0.940	20	30		CCEDRM
C[C@](C#N)(NC(=O)COC(=O)CCCNC(=O)[O-])C1CC1	ZINC000736204086	581715357	/nfs/dbraw/zinc/71/53/57/581715357.db2.gz	XQOKUCJNKWKECT-CYBMUJFWSA-N	-1	0	297.311	0.386	20	30		CCEDRM
N#CC1(NC(=O)Cn2[n-]cc3c(=O)ncnc2-3)CCCC1	ZINC000730547567	581719965	/nfs/dbraw/zinc/71/99/65/581719965.db2.gz	VVOPDJSTDCMXHZ-UHFFFAOYSA-N	-1	0	286.295	0.024	20	30		CCEDRM
CCCC[C@@H](ON=C(C)C)C(=O)[N-]OCC(N)=O	ZINC000758453727	581747424	/nfs/dbraw/zinc/74/74/24/581747424.db2.gz	HPZNYMHKDYZTBA-SECBINFHSA-N	-1	0	259.306	0.491	20	30		CCEDRM
C#CCCCNC(=O)C(C)(C)[N-]C(=O)C(F)(F)F	ZINC000758503958	581751312	/nfs/dbraw/zinc/75/13/12/581751312.db2.gz	YKLIOVCUJAKMDB-UHFFFAOYSA-N	-1	0	264.247	0.973	20	30		CCEDRM
O=C([O-])COc1ccccc1C=NN1C(=O)CNC1=O	ZINC000770615048	581756448	/nfs/dbraw/zinc/75/64/48/581756448.db2.gz	KXPNETZBMAZMHM-UHFFFAOYSA-N	-1	0	277.236	0.036	20	30		CCEDRM
C=CCS(=O)(=O)[N-]C(=O)CCC(=O)c1ccccn1	ZINC000770897569	581776754	/nfs/dbraw/zinc/77/67/54/581776754.db2.gz	MQPJDWPECGTAHX-UHFFFAOYSA-N	-1	0	282.321	0.677	20	30		CCEDRM
N#CCSCC(=O)[N-]S(=O)(=O)CC1(C#N)CCC1	ZINC000771076018	581789756	/nfs/dbraw/zinc/78/97/56/581789756.db2.gz	KXSATNCSROXWNJ-UHFFFAOYSA-N	-1	0	287.366	0.383	20	30		CCEDRM
C[C@]1(C(=O)[N-]S(=O)(=O)CC2(C#N)CCC2)CCOC1	ZINC000771077917	581790444	/nfs/dbraw/zinc/79/04/44/581790444.db2.gz	WJIPJGPKBHTBSV-NSHDSACASA-N	-1	0	286.353	0.553	20	30		CCEDRM
C#CCCCC(=O)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])nc1	ZINC000759559543	581807353	/nfs/dbraw/zinc/80/73/53/581807353.db2.gz	SPXHTJWTKBOILL-UHFFFAOYSA-N	-1	0	297.292	0.598	20	30		CCEDRM
COCCn1cc(C=NNc2nnc(C)c(=O)[n-]2)cn1	ZINC000743427048	581811663	/nfs/dbraw/zinc/81/16/63/581811663.db2.gz	NJLNYDPLPSBBSJ-UHFFFAOYSA-N	-1	0	277.288	0.175	20	30		CCEDRM
N#CCOc1ccc(CNC(=O)c2cc(=O)[nH][n-]2)cc1	ZINC000732283781	581816253	/nfs/dbraw/zinc/81/62/53/581816253.db2.gz	DMXGPDXQLQVJPM-UHFFFAOYSA-N	-1	0	272.264	0.081	20	30		CCEDRM
CNC(=O)C1(C(=O)Nc2cc(C#N)ccc2[O-])CC1	ZINC000759718396	581816973	/nfs/dbraw/zinc/81/69/73/581816973.db2.gz	VDWIPVZFOHNLKB-UHFFFAOYSA-N	-1	0	259.265	0.729	20	30		CCEDRM
CCCCCNC(=O)C(C#N)=C([O-])c1nnn(C)c1C	ZINC000744021676	581829603	/nfs/dbraw/zinc/82/96/03/581829603.db2.gz	CAHBSFDEDOTIAB-JTQLQIEISA-N	-1	0	277.328	0.752	20	30		CCEDRM
N#Cc1cccc(CS(=O)(=O)[N-]C(=O)C2=COCC2)c1	ZINC000744087024	581831418	/nfs/dbraw/zinc/83/14/18/581831418.db2.gz	MTYMRSDDODRMSA-UHFFFAOYSA-N	-1	0	292.316	0.808	20	30		CCEDRM
C#CCOc1ccc(C(=O)[N-]S(=O)(=O)CC)cc1	ZINC000744126406	581832343	/nfs/dbraw/zinc/83/23/43/581832343.db2.gz	CWOMKFXQFOQFRV-UHFFFAOYSA-N	-1	0	267.306	0.778	20	30		CCEDRM
CC(C)(CNC(=O)[O-])NC(=O)c1ccc(C#N)nc1	ZINC000738751647	581847685	/nfs/dbraw/zinc/84/76/85/581847685.db2.gz	JEJDIRSOVOFYGD-UHFFFAOYSA-N	-1	0	262.269	0.729	20	30		CCEDRM
CC(C)(CNC(=O)[O-])NS(=O)(=O)c1ccc(C#N)cc1	ZINC000738751784	581848221	/nfs/dbraw/zinc/84/82/21/581848221.db2.gz	FMNYQJORPSRXTP-UHFFFAOYSA-N	-1	0	297.336	0.883	20	30		CCEDRM
CC[C@@H](C)[C@@H](NC(=O)COC(=O)C1(C#N)CCC1)C(=O)[O-]	ZINC000736883535	581863181	/nfs/dbraw/zinc/86/31/81/581863181.db2.gz	JEHHTHYLRLBILU-MWLCHTKSSA-N	-1	0	296.323	0.839	20	30		CCEDRM
CC[C@H](C)[C@@H](NC(=O)CN(CC)CC#N)C(=O)[O-]	ZINC000736880687	581863971	/nfs/dbraw/zinc/86/39/71/581863971.db2.gz	ZFBRBGUCYIEAPL-GXSJLCMTSA-N	-1	0	255.318	0.447	20	30		CCEDRM
CCC[C@H](C)N1C[C@H](C(=O)N(CC#N)CC(=O)[O-])CC1=O	ZINC000736964759	581874130	/nfs/dbraw/zinc/87/41/30/581874130.db2.gz	IJRAWWCFQUKISD-WDEREUQCSA-N	-1	0	295.339	0.460	20	30		CCEDRM
C=CCS(=O)(=O)[N-]C(=O)CC[C@@H]1CCCCO1	ZINC000772721332	581886722	/nfs/dbraw/zinc/88/67/22/581886722.db2.gz	LZIJCXREGHRNCT-JTQLQIEISA-N	-1	0	261.343	0.968	20	30		CCEDRM
CCCc1noc(CCCC(=O)N(CC#N)CC(=O)[O-])n1	ZINC000737046683	581891227	/nfs/dbraw/zinc/89/12/27/581891227.db2.gz	HFKQJJWYHJZVID-UHFFFAOYSA-N	-1	0	294.311	0.782	20	30		CCEDRM
C=CCN(C(=O)Cn1[n-]cc2c(=O)ncnc1-2)C1CC1	ZINC000772895530	581897118	/nfs/dbraw/zinc/89/71/18/581897118.db2.gz	LAWKMKOQWRUANS-UHFFFAOYSA-N	-1	0	273.296	0.248	20	30		CCEDRM
C#CCC(C)(C)C(=O)N1CCO[C@H](c2nnn[n-]2)C1	ZINC000768032164	581907660	/nfs/dbraw/zinc/90/76/60/581907660.db2.gz	WULYXIYLRMTRAS-VIFPVBQESA-N	-1	0	263.301	0.149	20	30		CCEDRM
C=CCCC(=O)COC(=O)Cn1[n-]cc2c(=O)ncnc1-2	ZINC000761405700	581908821	/nfs/dbraw/zinc/90/88/21/581908821.db2.gz	VNXVFQNVJZDKEL-UHFFFAOYSA-N	-1	0	290.279	0.150	20	30		CCEDRM
CC(C)NC(=O)C(C#N)=C([O-])c1ccnc(N(C)C)c1	ZINC000773977660	581950597	/nfs/dbraw/zinc/95/05/97/581950597.db2.gz	PCXDLNHVMCBSHU-LLVKDONJSA-N	-1	0	274.324	0.995	20	30		CCEDRM
CN(CC(=O)Nc1ccc(C#N)c(C#N)c1)C(=O)[O-]	ZINC000737394306	581952338	/nfs/dbraw/zinc/95/23/38/581952338.db2.gz	CZYDXTGJWRVWOE-UHFFFAOYSA-N	-1	0	258.237	0.978	20	30		CCEDRM
N#CCCCS(=O)(=O)[N-]C(=O)c1nccs1	ZINC000774175146	581963219	/nfs/dbraw/zinc/96/32/19/581963219.db2.gz	YCHMHJGGBUSRED-UHFFFAOYSA-N	-1	0	259.312	0.506	20	30		CCEDRM
N#Cc1ccc(OCC(=O)[N-]S(=O)(=O)C2CCC2)cc1	ZINC000774302851	581969426	/nfs/dbraw/zinc/96/94/26/581969426.db2.gz	YKHBXDQZNIUZKA-UHFFFAOYSA-N	-1	0	294.332	0.936	20	30		CCEDRM
C=CCS(=O)(=O)[N-]C(=O)CCc1cscn1	ZINC000763034870	581979402	/nfs/dbraw/zinc/97/94/02/581979402.db2.gz	ZVUXVEJTNLQNLG-UHFFFAOYSA-N	-1	0	260.340	0.708	20	30		CCEDRM
N#Cc1cccc(OCC(=O)OCc2n[nH]c(=O)[n-]2)c1	ZINC000774932562	582003594	/nfs/dbraw/zinc/00/35/94/582003594.db2.gz	NQEKFJXRUOJJOT-UHFFFAOYSA-N	-1	0	274.236	0.504	20	30		CCEDRM
Cn1ccnc1C([O-])=C(C#N)C(=O)[C@@H]1CCc2n[nH]cc2C1	ZINC000764044296	582028728	/nfs/dbraw/zinc/02/87/28/582028728.db2.gz	OPZUVBWFSIMIHH-KOLCDFICSA-N	-1	0	297.318	0.840	20	30		CCEDRM
C=CCS(=O)(=O)[N-]C(=O)[C@@H]1CCc2n[nH]cc2C1	ZINC000764044668	582029042	/nfs/dbraw/zinc/02/90/42/582029042.db2.gz	OLXBPTMEZDHSGH-MRVPVSSYSA-N	-1	0	269.326	0.147	20	30		CCEDRM
Cc1cc([C@@H](C#N)C(=O)CCNC(=O)[O-])nc(C)n1	ZINC000738350809	582038459	/nfs/dbraw/zinc/03/84/59/582038459.db2.gz	BSGJXKLRIVPQOT-SECBINFHSA-N	-1	0	262.269	0.927	20	30		CCEDRM
N#Cc1c(Cl)nsc1N1CCO[C@H](C(=O)[O-])C1	ZINC000738426240	582048464	/nfs/dbraw/zinc/04/84/64/582048464.db2.gz	WPWQZVHVCAKCJQ-LURJTMIESA-N	-1	0	273.701	0.958	20	30		CCEDRM
N#Cc1ccc([C@H](C(N)=O)N2CCC(C(=O)[O-])CC2)cc1	ZINC000738431418	582048820	/nfs/dbraw/zinc/04/88/20/582048820.db2.gz	YVLMGNVBKOUDIW-CYBMUJFWSA-N	-1	0	287.319	0.881	20	30		CCEDRM
N#Cc1ccc(C(=O)N2CCCN(C(=O)[O-])CC2)cn1	ZINC000738429869	582048987	/nfs/dbraw/zinc/04/89/87/582048987.db2.gz	BBEOVTCJQTYGCD-UHFFFAOYSA-N	-1	0	274.280	0.779	20	30		CCEDRM
N#Cc1ccc(C(=O)NCC(=O)NCCCC(=O)[O-])cc1	ZINC000738430158	582049042	/nfs/dbraw/zinc/04/90/42/582049042.db2.gz	GLRHKGUGBPKXKI-UHFFFAOYSA-N	-1	0	289.291	0.269	20	30		CCEDRM
N#CCCCS(=O)(=O)[N-]C(=O)c1cncc(F)c1	ZINC000776116306	582052399	/nfs/dbraw/zinc/05/23/99/582052399.db2.gz	OGNLNDXPMVGAHJ-UHFFFAOYSA-N	-1	0	271.273	0.584	20	30		CCEDRM
N#CCCCS(=O)(=O)[N-]C(=O)c1ccc([N+](=O)[O-])[nH]1	ZINC000776122965	582052685	/nfs/dbraw/zinc/05/26/85/582052685.db2.gz	IHYNAORZOBIRLN-UHFFFAOYSA-N	-1	0	286.269	0.286	20	30		CCEDRM
C#CCN1CCN(C(=O)[C@](C)(CCC)NC(=O)[O-])CC1	ZINC000738459369	582053214	/nfs/dbraw/zinc/05/32/14/582053214.db2.gz	AOISOWFYLVQOHR-AWEZNQCLSA-N	-1	0	281.356	0.590	20	30		CCEDRM
COc1ncccc1C(=O)[N-]S(=O)(=O)CC(C)(C)C#N	ZINC000776137999	582053318	/nfs/dbraw/zinc/05/33/18/582053318.db2.gz	IYKPLCVRRVRVKG-UHFFFAOYSA-N	-1	0	297.336	0.700	20	30		CCEDRM
C#Cc1ccc(C(=O)NCC[C@H](C)NC(=O)[O-])cn1	ZINC000738466695	582053929	/nfs/dbraw/zinc/05/39/29/582053929.db2.gz	FTEIBXNMHBUKCQ-VIFPVBQESA-N	-1	0	261.281	0.839	20	30		CCEDRM
COC[C@@H](C)CC(=O)[N-]S(=O)(=O)CC(C)(C)C#N	ZINC000776143558	582054004	/nfs/dbraw/zinc/05/40/04/582054004.db2.gz	HUQMVVHVYNHCOV-VIFPVBQESA-N	-1	0	276.358	0.655	20	30		CCEDRM
C=C(C)CN(CC)C(=O)CN(C)[C@@H](C)CNC(=O)[O-]	ZINC000738471114	582054376	/nfs/dbraw/zinc/05/43/76/582054376.db2.gz	POLNEAIKPMNKQW-NSHDSACASA-N	-1	0	271.361	0.999	20	30		CCEDRM
C[C@@H](OCC1CC1)C(=O)[N-]S(=O)(=O)CC(C)(C)C#N	ZINC000776144763	582054486	/nfs/dbraw/zinc/05/44/86/582054486.db2.gz	UWHTWEYDBNCKIV-SECBINFHSA-N	-1	0	288.369	0.797	20	30		CCEDRM
CC(C)(C#N)CS(=O)(=O)[N-]C(=O)C1=COCCC1	ZINC000776143779	582054535	/nfs/dbraw/zinc/05/45/35/582054535.db2.gz	JIBKDWGBVZFUIS-UHFFFAOYSA-N	-1	0	272.326	0.676	20	30		CCEDRM
CC[C@H]1CC[C@H](C(=O)[N-]S(=O)(=O)CC(C)(C)C#N)O1	ZINC000776143618	582054537	/nfs/dbraw/zinc/05/45/37/582054537.db2.gz	IWXCKFZQWYIJCT-VHSXEESVSA-N	-1	0	288.369	0.940	20	30		CCEDRM
N#Cc1ccc(C(=O)[N-]S(=O)(=O)N2CCCC2)s1	ZINC000750690019	582056232	/nfs/dbraw/zinc/05/62/32/582056232.db2.gz	AKIAGSDTIUIPSA-UHFFFAOYSA-N	-1	0	285.350	0.690	20	30		CCEDRM
C#Cc1ccc(C(=O)N2CCC[C@@H](c3nnn[n-]3)C2)cn1	ZINC000765109434	582089671	/nfs/dbraw/zinc/08/96/71/582089671.db2.gz	KMKJHYZGSRZGSB-LLVKDONJSA-N	-1	0	282.307	0.596	20	30		CCEDRM
C[C@@H](NC(=O)C(=O)Nc1ccc(C#N)c(Cl)c1)C(=O)[O-]	ZINC000738952887	582093113	/nfs/dbraw/zinc/09/31/13/582093113.db2.gz	WEDULIIIMYSGCS-ZCFIWIBFSA-N	-1	0	295.682	0.739	20	30		CCEDRM
N#C[C@@H]1CN(C(=O)CCCNC(=O)[O-])CCN1C1CC1	ZINC000739069925	582100520	/nfs/dbraw/zinc/10/05/20/582100520.db2.gz	VCBZGEXMPYNBPI-LLVKDONJSA-N	-1	0	280.328	0.233	20	30		CCEDRM
N#CC1(NC(=O)c2cccc(OCC(=O)[O-])c2)CC1	ZINC000739066466	582100582	/nfs/dbraw/zinc/10/05/82/582100582.db2.gz	MPZZLLSEROCVGT-UHFFFAOYSA-N	-1	0	260.249	0.936	20	30		CCEDRM
N#C[C@@H](C(=O)CCNC(=O)[O-])C(=O)NC1CCCC1	ZINC000739073500	582101065	/nfs/dbraw/zinc/10/10/65/582101065.db2.gz	CUVWOOOAKZJLSV-VIFPVBQESA-N	-1	0	267.285	0.412	20	30		CCEDRM
N#C[C@@H](C(=O)CCNC(=O)[O-])C(=O)NCc1ccccc1	ZINC000739074457	582101215	/nfs/dbraw/zinc/10/12/15/582101215.db2.gz	JPFWYZBOKAQEIK-NSHDSACASA-N	-1	0	289.291	0.669	20	30		CCEDRM
N#CCN(CC(=O)[O-])S(=O)(=O)Cc1ccccc1F	ZINC000739086454	582101858	/nfs/dbraw/zinc/10/18/58/582101858.db2.gz	QYNSZFJNLGBORR-UHFFFAOYSA-N	-1	0	286.284	0.566	20	30		CCEDRM
N#CCNC(=O)CN(CC(=O)[O-])Cc1ccc(Cl)cc1	ZINC000739086113	582101863	/nfs/dbraw/zinc/10/18/63/582101863.db2.gz	OVIVOUCEHZWWQL-UHFFFAOYSA-N	-1	0	295.726	0.866	20	30		CCEDRM
N#CCN(CC(=O)[O-])S(=O)(=O)c1ccc(F)c(C#N)c1	ZINC000739085960	582101869	/nfs/dbraw/zinc/10/18/69/582101869.db2.gz	MHBJELOWYKAUCD-UHFFFAOYSA-N	-1	0	297.267	0.296	20	30		CCEDRM
COc1cccc(C([O-])=C(C#N)C(=O)NC2CC2)n1	ZINC000752161789	582101942	/nfs/dbraw/zinc/10/19/42/582101942.db2.gz	VTPLRPBQHYOCOG-VIFPVBQESA-N	-1	0	259.265	0.691	20	30		CCEDRM
N#CCN(CC(=O)[O-])C(=O)c1cccc2cn[nH]c21	ZINC000739088588	582102162	/nfs/dbraw/zinc/10/21/62/582102162.db2.gz	WZUNDLWARLWYIJ-UHFFFAOYSA-N	-1	0	258.237	0.613	20	30		CCEDRM
N#CCN1CCC[C@@H](CNC(=O)CCCNC(=O)[O-])C1	ZINC000739087104	582102169	/nfs/dbraw/zinc/10/21/69/582102169.db2.gz	VBNPWXHPTZPOPP-NSHDSACASA-N	-1	0	282.344	0.386	20	30		CCEDRM
O=C([O-])Cn1cc(CN=Nc2ncccc2Cl)nn1	ZINC000768481482	582107243	/nfs/dbraw/zinc/10/72/43/582107243.db2.gz	AYOHHKPBPJLBMA-UHFFFAOYSA-N	-1	0	280.675	0.857	20	30		CCEDRM
Cc1ncsc1C(=O)N1CCN(C(=O)[O-])C[C@H]1C#N	ZINC000830829138	603594202	/nfs/dbraw/zinc/59/42/02/603594202.db2.gz	HEAJRCNDYOTWPQ-MRVPVSSYSA-N	-1	0	280.309	0.780	20	30		CCEDRM
CCS(=O)(CC)=NS(=O)(=O)[N-]CCC#N	ZINC000867201937	615356605	/nfs/dbraw/zinc/35/66/05/615356605.db2.gz	PLRPUEGMVLDYSE-UHFFFAOYSA-N	-1	0	253.349	0.242	20	30		CCEDRM
COc1ccc(CN2CCO[C@H](C(=O)[O-])C2)cc1C#N	ZINC000087825173	597366518	/nfs/dbraw/zinc/36/65/18/597366518.db2.gz	FPGWDLAYXREVTB-ZDUSSCGKSA-N	-1	0	276.292	0.852	20	30		CCEDRM
C[C@H](C(=O)[O-])N(C)C(=O)CNc1ccc(C#N)cc1	ZINC000817753319	597465376	/nfs/dbraw/zinc/46/53/76/597465376.db2.gz	NFTGPAMRLGLOQV-SECBINFHSA-N	-1	0	261.281	0.902	20	30		CCEDRM
COc1cc(C(C)=NNC2=NCCN2)cc([N+](=O)[O-])c1[O-]	ZINC000841661709	617173564	/nfs/dbraw/zinc/17/35/64/617173564.db2.gz	REFKVOORVHXMCJ-UHFFFAOYSA-N	-1	0	293.283	0.582	20	30		CCEDRM
C[C@](C#N)(CC(=O)[O-])C(=O)N1CC[C@H]([C@@H]2CCOC2)C1	ZINC000819811689	597603394	/nfs/dbraw/zinc/60/33/94/597603394.db2.gz	UNBGHYQVWPMJFR-MISXGVKJSA-N	-1	0	280.324	0.876	20	30		CCEDRM
C[C@@H]1C[C@H](NC(=O)[C@](C)(C#N)CC(=O)[O-])CCO1	ZINC000820228886	597607914	/nfs/dbraw/zinc/60/79/14/597607914.db2.gz	WPYKSBXMPCWFFS-LNLATYFQSA-N	-1	0	254.286	0.675	20	30		CCEDRM
Cc1cc(NC(=O)COC(=O)[C@@](C)(C#N)CC(=O)[O-])no1	ZINC000821013566	597623057	/nfs/dbraw/zinc/62/30/57/597623057.db2.gz	AYDIOHRRLKJWPL-GFCCVEGCSA-N	-1	0	295.251	0.469	20	30		CCEDRM
C[C@@](C#N)(CC(=O)[O-])C(=O)NCCCN1CCCC1=O	ZINC000819835443	597628257	/nfs/dbraw/zinc/62/82/57/597628257.db2.gz	USIHPUCELYLLFG-ZDUSSCGKSA-N	-1	0	281.312	0.120	20	30		CCEDRM
C[C@H](NC(=O)[C@@](C)(C#N)CC(=O)[O-])c1nnc2n1CCC2	ZINC000820113939	597632146	/nfs/dbraw/zinc/63/21/46/597632146.db2.gz	IVEGGBMOHVVXSD-ISVAXAHUSA-N	-1	0	291.311	0.406	20	30		CCEDRM
C[C@](C#N)(CC(=O)[O-])C(=O)N1CCCSCC1	ZINC000819812100	597634306	/nfs/dbraw/zinc/63/43/06/597634306.db2.gz	YUIUCSMGDNDVBY-LLVKDONJSA-N	-1	0	256.327	0.956	20	30		CCEDRM
C[C@](C#N)(CC(=O)[O-])C(=O)NCC(=O)OCC1CC1	ZINC000819832632	597642673	/nfs/dbraw/zinc/64/26/73/597642673.db2.gz	CDFBUXUZPKUDFF-GFCCVEGCSA-N	-1	0	268.269	0.060	20	30		CCEDRM
C[C@@H](O)CC(C)(C)CNC(=O)[C@](C)(C#N)CC(=O)[O-]	ZINC000820162144	597650367	/nfs/dbraw/zinc/65/03/67/597650367.db2.gz	ZFXWVNABQPACKC-RNCFNFMXSA-N	-1	0	270.329	0.904	20	30		CCEDRM
C[C@@H](CNC(=O)[C@@](C)(C#N)CC(=O)[O-])C[C@H](C)O	ZINC000820161545	597651386	/nfs/dbraw/zinc/65/13/86/597651386.db2.gz	QPICPOPGDTVSEB-VDDIYKPWSA-N	-1	0	256.302	0.514	20	30		CCEDRM
O=C([O-])CCNN=Cc1ccc(C(=O)NC2CC2)cc1	ZINC000821524617	597739760	/nfs/dbraw/zinc/73/97/60/597739760.db2.gz	MECRDTAFHFLXSJ-UHFFFAOYSA-N	-1	0	275.308	0.977	20	30		CCEDRM
Cn1cc(C=NNCCC(=O)[O-])c(-c2ccncc2)n1	ZINC000821286999	597741564	/nfs/dbraw/zinc/74/15/64/597741564.db2.gz	APANNXVZHLKZNP-UHFFFAOYSA-N	-1	0	273.296	0.880	20	30		CCEDRM
O=C([O-])CNC(=O)CON=C1CCOc2ccccc21	ZINC000821532264	597761049	/nfs/dbraw/zinc/76/10/49/597761049.db2.gz	IDRAYPDDILIXQG-UHFFFAOYSA-N	-1	0	278.264	0.391	20	30		CCEDRM
Cc1onc(CC(=O)N(C)CCC(=O)[O-])c1C#N	ZINC000821256946	598220576	/nfs/dbraw/zinc/22/05/76/598220576.db2.gz	DPHOECZMYWOIMH-UHFFFAOYSA-N	-1	0	251.242	0.330	20	30		CCEDRM
C[C@@](C#N)(CC(=O)[O-])C(=O)NCC(=O)NCc1ccco1	ZINC000819835977	598222882	/nfs/dbraw/zinc/22/28/82/598222882.db2.gz	YZGCOEHTRMXHSV-ZDUSSCGKSA-N	-1	0	293.279	0.017	20	30		CCEDRM
C[C@@](C#N)(CC(=O)[O-])C(=O)NC[C@H]1CCCCO1	ZINC000819833449	598225278	/nfs/dbraw/zinc/22/52/78/598225278.db2.gz	HBDGLEVHUWDJOK-SKDRFNHKSA-N	-1	0	254.286	0.676	20	30		CCEDRM
Cc1cc(CNC(=O)[C@](C)(C#N)CC(=O)[O-])on1	ZINC000820976892	598225351	/nfs/dbraw/zinc/22/53/51/598225351.db2.gz	VFXPVOGWIBGWAW-NSHDSACASA-N	-1	0	251.242	0.604	20	30		CCEDRM
Cc1nnc2n1C[C@H](NC(=O)[C@@](C)(C#N)CC(=O)[O-])CC2	ZINC000821224996	598226177	/nfs/dbraw/zinc/22/61/77/598226177.db2.gz	PONRNPQVPHIJAC-NOZJJQNGSA-N	-1	0	291.311	0.022	20	30		CCEDRM
Cn1cc([C@H]2CCN(C(=O)[C@](C)(C#N)CC(=O)[O-])C2)cn1	ZINC000821287535	598228092	/nfs/dbraw/zinc/22/80/92/598228092.db2.gz	OYXZTLXCAKHVIS-HZMBPMFUSA-N	-1	0	290.323	0.741	20	30		CCEDRM
C[C@H]1CSCCN1C(=O)[C@](C)(C#N)CC(=O)[O-]	ZINC000820251893	598228172	/nfs/dbraw/zinc/22/81/72/598228172.db2.gz	PTGMPBJMWUBXJB-KWQFWETISA-N	-1	0	256.327	0.955	20	30		CCEDRM
C[C@@](C#N)(CC(=O)[O-])C(=O)NC[C@]1(C)CCCO1	ZINC000820214687	598230111	/nfs/dbraw/zinc/23/01/11/598230111.db2.gz	CWRSVYGUPSSDCP-RYUDHWBXSA-N	-1	0	254.286	0.676	20	30		CCEDRM
C#CCO[C@@H](C)C(=O)NCc1nc(C(=O)[O-])cs1	ZINC000909259470	612996793	/nfs/dbraw/zinc/99/67/93/612996793.db2.gz	IFHCMHYFRBQBLD-ZETCQYMHSA-N	-1	0	268.294	0.496	20	30		CCEDRM
C#CCO[C@H](C)C(=O)[N-]S(=O)(=O)c1ccsc1	ZINC000835229394	613002258	/nfs/dbraw/zinc/00/22/58/613002258.db2.gz	SSZGSPCFYKPUPN-MRVPVSSYSA-N	-1	0	273.335	0.591	20	30		CCEDRM
C=C(Br)CNC(=O)N1CCO[C@@H](C(=O)[O-])C1	ZINC000168360782	600037889	/nfs/dbraw/zinc/03/78/89/600037889.db2.gz	ZUIWKUIBOVKPNE-SSDOTTSWSA-N	-1	0	293.117	0.390	20	30		CCEDRM
C#CCNC(=O)NC1C[C@H]2CC[C@@H](C1)N2C(=O)[O-]	ZINC000823456997	612946592	/nfs/dbraw/zinc/94/65/92/612946592.db2.gz	TZXMXSWLMWVFGS-PBINXNQUSA-N	-1	0	251.286	0.592	20	30		CCEDRM
C#CCNC(=O)NC[C@@H]1[C@@H](C)OC(C)(C)N1C(=O)[O-]	ZINC000823455206	612946815	/nfs/dbraw/zinc/94/68/15/612946815.db2.gz	ASNMGLASBWHXEE-RKDXNWHRSA-N	-1	0	269.301	0.422	20	30		CCEDRM
C#CCN1CCN(C(=O)c2ccc(C(=O)[O-])nc2)CC1	ZINC000383829098	600592298	/nfs/dbraw/zinc/59/22/98/600592298.db2.gz	MPTKCSOLHNFCRB-UHFFFAOYSA-N	-1	0	273.292	0.171	20	30		CCEDRM
C#CCNC(=O)N[C@H]1CCCC[C@@H]1CNC(=O)[O-]	ZINC000823455955	612947387	/nfs/dbraw/zinc/94/73/87/612947387.db2.gz	IDYPQVPXEPZKGV-ZJUUUORDSA-N	-1	0	253.302	0.745	20	30		CCEDRM
N#CCCCCNS(=O)(=O)c1c[nH]c(C(=O)[O-])c1	ZINC000079866045	600739691	/nfs/dbraw/zinc/73/96/91/600739691.db2.gz	ZWGZAJRPUKIUFA-UHFFFAOYSA-N	-1	0	271.298	0.685	20	30		CCEDRM
CCOc1ccc(S(=O)(=O)N(CC#N)CC(=O)[O-])cc1	ZINC000586144930	600762917	/nfs/dbraw/zinc/76/29/17/600762917.db2.gz	CQRKRRBHPAQAMF-UHFFFAOYSA-N	-1	0	298.320	0.684	20	30		CCEDRM
C[C@H](CC(=O)N(CC#N)CC(=O)[O-])NC(=O)OC(C)(C)C	ZINC000827218115	600891022	/nfs/dbraw/zinc/89/10/22/600891022.db2.gz	NPMUFRPRCAJTNN-SECBINFHSA-N	-1	0	299.327	0.726	20	30		CCEDRM
N#CCN1CCC(NC(=O)[C@@H]2CCC[C@@H](C(=O)[O-])C2)CC1	ZINC000833066928	600940103	/nfs/dbraw/zinc/94/01/03/600940103.db2.gz	LETZQISLHKKWFR-VXGBXAGGSA-N	-1	0	293.367	0.982	20	30		CCEDRM
Cc1csc2nc(CN(CC#N)CC(=O)[O-])cc(=O)n12	ZINC000832989139	601004178	/nfs/dbraw/zinc/00/41/78/601004178.db2.gz	BCHMLOCZQLTXEP-UHFFFAOYSA-N	-1	0	292.320	0.475	20	30		CCEDRM
N#CCN(CC(=O)[O-])Cc1nccn1CC(F)(F)F	ZINC000833066731	601005525	/nfs/dbraw/zinc/00/55/25/601005525.db2.gz	GPTLAIGSJHVFHS-UHFFFAOYSA-N	-1	0	276.218	0.856	20	30		CCEDRM
N#Cc1ccc([C@H](C(=O)[O-])N2CCn3cnnc3C2)cc1	ZINC000833070718	601114222	/nfs/dbraw/zinc/11/42/22/601114222.db2.gz	AHBPBKUYNWVNFX-CYBMUJFWSA-N	-1	0	283.291	0.791	20	30		CCEDRM
N#CCCN(C(=O)Cn1cc(C(=O)[O-])nn1)c1ccccc1	ZINC000316848313	601280320	/nfs/dbraw/zinc/28/03/20/601280320.db2.gz	RPTVJZKNYHPNSO-UHFFFAOYSA-N	-1	0	299.290	0.923	20	30		CCEDRM
N#Cc1c[nH]c(C(=O)N2CCSC[C@H]2CC(=O)[O-])c1	ZINC000833068376	601451823	/nfs/dbraw/zinc/45/18/23/601451823.db2.gz	VIPDEOWKLNCKTG-SECBINFHSA-N	-1	0	279.321	0.919	20	30		CCEDRM
C=CCN(CC=C)C(=O)CN1CCO[C@H](CC(=O)[O-])C1	ZINC000091295721	601457523	/nfs/dbraw/zinc/45/75/23/601457523.db2.gz	DXRMIGIPJIPYIH-GFCCVEGCSA-N	-1	0	282.340	0.363	20	30		CCEDRM
N#Cc1ccccc1OCC(=O)N[C@H](C(=O)[O-])C1CC1	ZINC000054503375	601590409	/nfs/dbraw/zinc/59/04/09/601590409.db2.gz	SMOSVYCFTBYZHW-ZDUSSCGKSA-N	-1	0	274.276	0.916	20	30		CCEDRM
N#Cc1cccc(C(=O)N2CCO[C@@H](CC(=O)[O-])C2)c1	ZINC000091292589	601668813	/nfs/dbraw/zinc/66/88/13/601668813.db2.gz	VPLGWVWRDMVFCS-LBPRGKRZSA-N	-1	0	274.276	0.874	20	30		CCEDRM
C#CCSCCNC(=O)C(C)(C)CNC(=O)[O-]	ZINC000823466982	613015494	/nfs/dbraw/zinc/01/54/94/613015494.db2.gz	OBORQRAFQRFMGP-UHFFFAOYSA-N	-1	0	258.343	0.763	20	30		CCEDRM
N#Cc1ccsc1C(=O)N1CCO[C@H](CC(=O)[O-])C1	ZINC000833076471	601741207	/nfs/dbraw/zinc/74/12/07/601741207.db2.gz	GZAXCXWZMKKECN-SECBINFHSA-N	-1	0	280.305	0.935	20	30		CCEDRM
C[C@H](CS(=O)(=O)Oc1cccc(C#N)c1)C(=O)[O-]	ZINC000827572102	601771639	/nfs/dbraw/zinc/77/16/39/601771639.db2.gz	YZRDFWJNBAXZCS-MRVPVSSYSA-N	-1	0	269.278	0.988	20	30		CCEDRM
C[C@H](CS(=O)(=O)N(CCC#N)CCC#N)C(=O)[O-]	ZINC000827534440	601791910	/nfs/dbraw/zinc/79/19/10/601791910.db2.gz	XJIGDOLHOOFWJO-SECBINFHSA-N	-1	0	273.314	0.166	20	30		CCEDRM
O=C([O-])c1cc(C=NNC(=S)NC[C@@H]2CCCO2)c[nH]1	ZINC000814726702	601795923	/nfs/dbraw/zinc/79/59/23/601795923.db2.gz	HKWPGSAKQBLFNT-VIFPVBQESA-N	-1	0	296.352	0.690	20	30		CCEDRM
N#CCN(CC(=O)[O-])C(=O)CCOC1CCOCC1	ZINC000833065917	601804832	/nfs/dbraw/zinc/80/48/32/601804832.db2.gz	KSTFAGDOAAJFJA-UHFFFAOYSA-N	-1	0	270.285	0.009	20	30		CCEDRM
C=C[C@H](C)NS(=O)(=O)N1CCC(C(=O)[O-])CC1	ZINC000159718406	601805713	/nfs/dbraw/zinc/80/57/13/601805713.db2.gz	PXHVBOCFOKVQHG-QMMMGPOBSA-N	-1	0	262.331	0.192	20	30		CCEDRM
C[C@H](CC(=O)[O-])C(=O)O[C@H](C)C(=O)N(C)CCC#N	ZINC000827325088	602270752	/nfs/dbraw/zinc/27/07/52/602270752.db2.gz	OWKIYDHSIZOUCP-RKDXNWHRSA-N	-1	0	270.285	0.401	20	30		CCEDRM
CN(CCCC(=O)NC[C@@H]1CCCN(CC#N)C1)C(=O)[O-]	ZINC000739668947	603059005	/nfs/dbraw/zinc/05/90/05/603059005.db2.gz	CGAFPWWFUXIRMR-LBPRGKRZSA-N	-1	0	296.371	0.728	20	30		CCEDRM
C#CCNC(=O)[C@H](C)OC(=O)Cc1ccccc1C(=O)[O-]	ZINC000833365491	612950864	/nfs/dbraw/zinc/95/08/64/612950864.db2.gz	KTTBBRVWIOYZJA-JTQLQIEISA-N	-1	0	289.287	0.608	20	30		CCEDRM
N#CCCn1ccc(NC(=O)NCCNC(=O)[O-])n1	ZINC000831097723	603335938	/nfs/dbraw/zinc/33/59/38/603335938.db2.gz	RRQDLAMLMROZGV-UHFFFAOYSA-N	-1	0	266.261	0.186	20	30		CCEDRM
C#CCNC(=O)[C@H](C)OC(=O)[C@H](CC(C)C)NC(=O)[O-]	ZINC000823455286	612951162	/nfs/dbraw/zinc/95/11/62/612951162.db2.gz	BRUFEGJAEBUDEN-UWVGGRQHSA-N	-1	0	284.312	0.350	20	30		CCEDRM
N#C[C@@H]1CN(C(=O)[O-])CCN1C(=O)c1cn2ccccc2n1	ZINC000831092538	603597323	/nfs/dbraw/zinc/59/73/23/603597323.db2.gz	WMXDSGCITHFEHI-SNVBAGLBSA-N	-1	0	299.290	0.662	20	30		CCEDRM
N#C[C@H]1CN(C(=O)[O-])CCN1Cc1nnsc1Cl	ZINC000831092082	603726450	/nfs/dbraw/zinc/72/64/50/603726450.db2.gz	PKNMYQOEDLNJIG-LURJTMIESA-N	-1	0	287.732	0.879	20	30		CCEDRM
N#Cc1csc(C(=O)NC2CN(C(=O)[O-])C2)c1	ZINC000831162054	603800727	/nfs/dbraw/zinc/80/07/27/603800727.db2.gz	VKPKYOQXJCZZLA-UHFFFAOYSA-N	-1	0	251.267	0.712	20	30		CCEDRM
N#Cc1c[nH]c(C(=O)N[C@@H](CNC(=O)[O-])C2CC2)c1	ZINC000831114992	603907547	/nfs/dbraw/zinc/90/75/47/603907547.db2.gz	XHAZVRCJBDYHHB-JTQLQIEISA-N	-1	0	262.269	0.662	20	30		CCEDRM
Cc1ccncc1C(=O)N1CCN(C(=O)[O-])C[C@H]1C#N	ZINC000830611932	604067399	/nfs/dbraw/zinc/06/73/99/604067399.db2.gz	QNBJJZXSVGQMMJ-SNVBAGLBSA-N	-1	0	274.280	0.718	20	30		CCEDRM
N#CC1(NC(=O)CC2(NC(=O)[O-])CCC2)CCOCC1	ZINC000831071145	604176551	/nfs/dbraw/zinc/17/65/51/604176551.db2.gz	ZBVXDMPMLNTBSM-UHFFFAOYSA-N	-1	0	281.312	0.756	20	30		CCEDRM
N#C[C@@H]1CN(C(=O)N[C@H]2CCC[C@H]2CNC(=O)[O-])CCO1	ZINC000831075491	604183977	/nfs/dbraw/zinc/18/39/77/604183977.db2.gz	AEEJVEXEVVESAE-AXFHLTTASA-N	-1	0	296.327	0.357	20	30		CCEDRM
C[C@H](CN(C)C(=O)[O-])C(=O)[C@H](C#N)C(=O)N1CCCC1	ZINC000824825096	604251417	/nfs/dbraw/zinc/25/14/17/604251417.db2.gz	QHCSTSCXTFXQLH-ZJUUUORDSA-N	-1	0	281.312	0.564	20	30		CCEDRM
C[C@@H](OC(=O)c1ccc(CC#N)cc1)C(=O)NCC(=O)[O-]	ZINC000833532413	604721359	/nfs/dbraw/zinc/72/13/59/604721359.db2.gz	QCGBJDLXRMRQAM-SECBINFHSA-N	-1	0	290.275	0.499	20	30		CCEDRM
C[C@@H](CC(=O)[O-])C(=O)OC1CCN(CC#N)CC1	ZINC000827333301	604732357	/nfs/dbraw/zinc/73/23/57/604732357.db2.gz	KGZMKJMXSZUEHD-VIFPVBQESA-N	-1	0	254.286	0.628	20	30		CCEDRM
N#Cc1ccc(C(=O)NC2CN(C(=O)[O-])C2)s1	ZINC000831122319	604753907	/nfs/dbraw/zinc/75/39/07/604753907.db2.gz	DGHVVLHCOJGTSN-UHFFFAOYSA-N	-1	0	251.267	0.712	20	30		CCEDRM
C#CCNC(=S)NC1(c2cccc(-c3nn[nH]n3)c2)CC1	ZINC000823850499	612953512	/nfs/dbraw/zinc/95/35/12/612953512.db2.gz	PKKGKOAYWHPROD-UHFFFAOYSA-N	-1	0	298.375	0.953	20	30		CCEDRM
C#CC[C@@H](NC(=O)c1ncccc1N(C)C)C(=O)[O-]	ZINC000910049964	613042373	/nfs/dbraw/zinc/04/23/73/613042373.db2.gz	BBEFPBKFAOELPZ-SECBINFHSA-N	-1	0	261.281	0.354	20	30		CCEDRM
O=C([O-])N1CC(N=Nc2nccc(N3CCOCC3)n2)C1	ZINC000831837943	604935965	/nfs/dbraw/zinc/93/59/65/604935965.db2.gz	NISFPYGZJZXYHI-UHFFFAOYSA-N	-1	0	292.299	0.075	20	30		CCEDRM
C#CCCCCC(=O)N1CCC([C@@H](O)C(=O)[O-])CC1	ZINC000833362983	605014652	/nfs/dbraw/zinc/01/46/52/605014652.db2.gz	UXOLAKKCBNCJRC-CYBMUJFWSA-N	-1	0	267.325	0.864	20	30		CCEDRM
C[C@@H](CN(C)c1ccc(S(N)(=O)=O)cc1C#N)C(=O)[O-]	ZINC000833516178	605036047	/nfs/dbraw/zinc/03/60/47/605036047.db2.gz	GQOLKWMSNXGQEE-QMMMGPOBSA-N	-1	0	297.336	0.363	20	30		CCEDRM
C#CCCCNC(=O)NCC1(C(=O)[O-])CCOCC1	ZINC000229853687	605088014	/nfs/dbraw/zinc/08/80/14/605088014.db2.gz	YUIIUDDJTDJNBW-UHFFFAOYSA-N	-1	0	268.313	0.580	20	30		CCEDRM
N#Cc1cnn(C(=O)CO[C@H]2CCCN(C(=O)[O-])C2)c1N	ZINC000831161875	605279805	/nfs/dbraw/zinc/27/98/05/605279805.db2.gz	OUHJXIQLKYCMIW-VIFPVBQESA-N	-1	0	293.283	0.136	20	30		CCEDRM
COc1ccc(S(=O)(=O)NCCCC#N)cc1C(=O)[O-]	ZINC000054137538	605406100	/nfs/dbraw/zinc/40/61/00/605406100.db2.gz	QWTVEEGUUFVFIM-UHFFFAOYSA-N	-1	0	298.320	0.975	20	30		CCEDRM
N#CCCCNS(=O)(=O)c1ccc(C(=O)[O-])nc1	ZINC000833760204	605408106	/nfs/dbraw/zinc/40/81/06/605408106.db2.gz	KLQPECMXLYOHOZ-UHFFFAOYSA-N	-1	0	269.282	0.362	20	30		CCEDRM
N#CCN(CC#N)C(=O)C[C@H]1CSCCN1C(=O)[O-]	ZINC000831097211	605429712	/nfs/dbraw/zinc/42/97/12/605429712.db2.gz	FOIUOTTVFSMTKL-VIFPVBQESA-N	-1	0	282.325	0.348	20	30		CCEDRM
N#CCCNC(=O)COC(=O)CC[C@H]1CCN(C(=O)[O-])C1	ZINC000833965974	605429818	/nfs/dbraw/zinc/42/98/18/605429818.db2.gz	XDWYWUPAHBJQJU-JTQLQIEISA-N	-1	0	297.311	0.340	20	30		CCEDRM
Cc1cc(NC(=O)[C@@H](C)NC(=O)[O-])nn1CCC#N	ZINC000833900631	605446679	/nfs/dbraw/zinc/44/66/79/605446679.db2.gz	ULOGBFKDXJLGJT-MRVPVSSYSA-N	-1	0	265.273	0.700	20	30		CCEDRM
N#C[C@@H]1CN(C(=O)[O-])C[C@H]1NC[C@@H](O)c1ccccc1	ZINC000833968766	605673158	/nfs/dbraw/zinc/67/31/58/605673158.db2.gz	XUXFFJMYVWYUMJ-JHJVBQTASA-N	-1	0	275.308	0.812	20	30		CCEDRM
N#C[C@@H]1CN(C(=O)[O-])CCN1S(=O)(=O)CCC1CC1	ZINC000833966010	605700805	/nfs/dbraw/zinc/70/08/05/605700805.db2.gz	GKRXMZWFCMAQHV-SNVBAGLBSA-N	-1	0	287.341	0.304	20	30		CCEDRM
Cc1nnc(NCC2CN(C(=O)[O-])C2)c(C#N)c1C	ZINC000833926404	605729428	/nfs/dbraw/zinc/72/94/28/605729428.db2.gz	NBYOPNOOWANNRK-UHFFFAOYSA-N	-1	0	261.285	0.987	20	30		CCEDRM
N#CCCCCNC(=O)NCC1CN(C(=O)[O-])C1	ZINC000833969538	605733495	/nfs/dbraw/zinc/73/34/95/605733495.db2.gz	VETWEVGIAZNSHW-UHFFFAOYSA-N	-1	0	254.290	0.589	20	30		CCEDRM
N#C[C@H]1CN(C(=O)[O-])CCN1C(=O)Cc1ccncc1	ZINC000833965665	605734854	/nfs/dbraw/zinc/73/48/54/605734854.db2.gz	CQBALWMPSBXZSD-NSHDSACASA-N	-1	0	274.280	0.338	20	30		CCEDRM
N#Cc1cccc(OCC(=O)NCC2CN(C(=O)[O-])C2)c1	ZINC000833976173	605752444	/nfs/dbraw/zinc/75/24/44/605752444.db2.gz	IZNQGYVEFVIFEH-UHFFFAOYSA-N	-1	0	289.291	0.663	20	30		CCEDRM
O=C([O-])N[C@@H]1CCCC1N=Nc1ncnc2[nH]cnc21	ZINC000834169128	605858753	/nfs/dbraw/zinc/85/87/53/605858753.db2.gz	LCCRPGKWCOWJAR-ZCFIWIBFSA-N	-1	0	275.272	0.941	20	30		CCEDRM
N#C[C@H]1CSCCN1C(=O)[C@@]1(F)CCN(C(=O)[O-])C1	ZINC000833966083	605978609	/nfs/dbraw/zinc/97/86/09/605978609.db2.gz	HLDMIHLRUUNOAS-GZMMTYOYSA-N	-1	0	287.316	0.546	20	30		CCEDRM
N#Cc1cc(C(=O)N2CCC[C@@H]2CNC(=O)[O-])c[nH]1	ZINC000833970849	606089517	/nfs/dbraw/zinc/08/95/17/606089517.db2.gz	UWVJNVUGEYGYBE-SNVBAGLBSA-N	-1	0	262.269	0.759	20	30		CCEDRM
N#Cc1cc(C(=O)N[C@@H]2CCCN(C(=O)[O-])C2)c[nH]1	ZINC000833969909	606089581	/nfs/dbraw/zinc/08/95/81/606089581.db2.gz	HIUPARBUQPXGGU-SECBINFHSA-N	-1	0	262.269	0.759	20	30		CCEDRM
C#CCCS(=O)(=O)[N-]C(=O)[C@]1(C)CCCOC1	ZINC000810781787	613053467	/nfs/dbraw/zinc/05/34/67/613053467.db2.gz	DHUWOWUXJOTUKE-LLVKDONJSA-N	-1	0	259.327	0.272	20	30		CCEDRM
C#CCCS(=O)(=O)NCc1nc(C(F)(F)F)no1	ZINC000808306380	613054656	/nfs/dbraw/zinc/05/46/56/613054656.db2.gz	VZCZLSDOELLCMX-UHFFFAOYSA-N	-1	0	283.231	0.531	20	30		CCEDRM
C#CC[C@H](NC(=O)c1c(C)[nH]nc1C(F)(F)F)C(=O)[O-]	ZINC000910050036	613069991	/nfs/dbraw/zinc/06/99/91/613069991.db2.gz	CJDGGPGVBFSIMI-LURJTMIESA-N	-1	0	289.213	0.943	20	30		CCEDRM
Cc1ccncc1Cn1c(N)nc(-c2nnn[n-]2)c1C#N	ZINC000826315224	609174466	/nfs/dbraw/zinc/17/44/66/609174466.db2.gz	CLOYZYAKBMRFKB-UHFFFAOYSA-N	-1	0	281.283	0.269	20	30		CCEDRM
N#CCCCCn1c(N)nc(-c2nnn[n-]2)c1C#N	ZINC000826381307	609174815	/nfs/dbraw/zinc/17/48/15/609174815.db2.gz	GNMVVBHEIQQWHS-UHFFFAOYSA-N	-1	0	257.261	0.211	20	30		CCEDRM
C#C[C@@H](NC(=O)NCCCCC(=O)[O-])[C@@H]1CCCO1	ZINC000840988731	613095563	/nfs/dbraw/zinc/09/55/63/613095563.db2.gz	LSCLRXJSKKNUDY-MNOVXSKESA-N	-1	0	268.313	0.721	20	30		CCEDRM
C#CCN(CC#CC)C(=O)NC[C@H](C)CNC(=O)[O-]	ZINC000833787199	613099676	/nfs/dbraw/zinc/09/96/76/613099676.db2.gz	IYZVOYAFUQHUCK-NSHDSACASA-N	-1	0	265.313	0.558	20	30		CCEDRM
C#CC1(O)CN(Cc2ncc(Br)cc2[O-])C1	ZINC000898147186	612961247	/nfs/dbraw/zinc/96/12/47/612961247.db2.gz	MATZCPFHDGDELY-UHFFFAOYSA-N	-1	0	283.125	0.730	20	30		CCEDRM
C=CC1(S(=O)(=O)[N-]C(=O)Cc2cscn2)CC1	ZINC000870839874	613450750	/nfs/dbraw/zinc/45/07/50/613450750.db2.gz	ZANVXGZYWWUJEQ-UHFFFAOYSA-N	-1	0	272.351	0.850	20	30		CCEDRM
C=CCOC[C@H](NC(=O)[C@H](C)[C@@H](O)CC)C(=O)[O-]	ZINC000909770888	613882513	/nfs/dbraw/zinc/88/25/13/613882513.db2.gz	MJFHBESBLSUBIJ-UTLUCORTSA-N	-1	0	259.302	0.165	20	30		CCEDRM
CC(C)N(C)S(=O)(=O)N1CCC[C@@H](C#CC(=O)[O-])C1	ZINC000899930214	614269022	/nfs/dbraw/zinc/26/90/22/614269022.db2.gz	PEXGPHVOPTZGJJ-NSHDSACASA-N	-1	0	288.369	0.371	20	30		CCEDRM
CC(C)(C)C(=O)C(=O)N1CCN(C(=O)[O-])C[C@H]1C#N	ZINC000823748748	614316676	/nfs/dbraw/zinc/31/66/76/614316676.db2.gz	CUUJHXWKJQBATC-MRVPVSSYSA-N	-1	0	267.285	0.316	20	30		CCEDRM
C[C@@H](C#N)OC(=O)CN(C[C@H]1CCCO1)C(=O)[O-]	ZINC000823647747	617296636	/nfs/dbraw/zinc/29/66/36/617296636.db2.gz	NHILDGKSSVONMN-DTWKUNHWSA-N	-1	0	256.258	0.601	20	30		CCEDRM
C#CC1(NC(=O)NCC(=O)[N-]OCC)CCCC1	ZINC000883764305	612949569	/nfs/dbraw/zinc/94/95/69/612949569.db2.gz	WYFNFDGWEDOENV-UHFFFAOYSA-N	-1	0	253.302	0.299	20	30		CCEDRM
C#CCC(C)(C)C(=O)[N-]S(=O)(=O)C[C@@H](C)OC	ZINC000810722076	612965704	/nfs/dbraw/zinc/96/57/04/612965704.db2.gz	JXNSHIQYUYGWSW-SECBINFHSA-N	-1	0	261.343	0.517	20	30		CCEDRM
C#CCCCC(=O)N[C@](C)(Cn1cccn1)C(=O)[O-]	ZINC000908266043	612975291	/nfs/dbraw/zinc/97/52/91/612975291.db2.gz	YPJAVJOUJQCLQW-CYBMUJFWSA-N	-1	0	263.297	0.646	20	30		CCEDRM
C#CCCCCC(=O)N1CCC[C@H](O)[C@H]1C(=O)[O-]	ZINC000911634376	612975396	/nfs/dbraw/zinc/97/53/96/612975396.db2.gz	IARNZSSHSIDIDN-JQWIXIFHSA-N	-1	0	253.298	0.617	20	30		CCEDRM
C#CCCCCNC(=O)[C@@H]1C[C@H](O)CN1C(=O)[O-]	ZINC000823440654	612978236	/nfs/dbraw/zinc/97/82/36/612978236.db2.gz	CZUHTOBPPGYXEF-UWVGGRQHSA-N	-1	0	254.286	0.019	20	30		CCEDRM
C#CCCCCNC(=O)[C@H]1C[C@H](O)CN1C(=O)[O-]	ZINC000823440655	612978324	/nfs/dbraw/zinc/97/83/24/612978324.db2.gz	CZUHTOBPPGYXEF-VHSXEESVSA-N	-1	0	254.286	0.019	20	30		CCEDRM
C#CCOCCC(=O)N1CC[C@@H](OC)C[C@H]1C(=O)[O-]	ZINC000833364890	612978458	/nfs/dbraw/zinc/97/84/58/612978458.db2.gz	YTOHPVQZGYZMAS-MNOVXSKESA-N	-1	0	269.297	0.117	20	30		CCEDRM
C#CCOCCC(=O)[N-]S(=O)(=O)CC1CCC1	ZINC000119186433	612980114	/nfs/dbraw/zinc/98/01/14/612980114.db2.gz	BUKQDHABHIXPMB-UHFFFAOYSA-N	-1	0	259.327	0.272	20	30		CCEDRM
C#CCOCCC(=O)N[C@H](C(=O)[O-])c1cccc(O)c1	ZINC000833364159	612980571	/nfs/dbraw/zinc/98/05/71/612980571.db2.gz	KLWVWCGPXRSWPA-ZDUSSCGKSA-N	-1	0	277.276	0.674	20	30		CCEDRM
C#CCO[N-]C(=O)[C@@]1(C2CCCC2)CCNC1=O	ZINC000862184235	612992661	/nfs/dbraw/zinc/99/26/61/612992661.db2.gz	CNYWQEDFOILCEW-CYBMUJFWSA-N	-1	0	250.298	0.364	20	30		CCEDRM
C#CCO[N-]C(=O)[C@H](C)n1nnnc1C(C)(C)C	ZINC000812785774	612993043	/nfs/dbraw/zinc/99/30/43/612993043.db2.gz	JMYFWFQYZVMOGK-QMMMGPOBSA-N	-1	0	251.290	0.213	20	30		CCEDRM
C#CCO[N-]C(=O)[C@H]1CCN(Cc2ccccc2)C1=O	ZINC000825137272	612993127	/nfs/dbraw/zinc/99/31/27/612993127.db2.gz	LOCKRBZCHSNOKY-CYBMUJFWSA-N	-1	0	272.304	0.716	20	30		CCEDRM
C#CCCN1CC(N(CC)C(=O)c2n[nH]c(C)c2[O-])C1	ZINC000949900725	612993305	/nfs/dbraw/zinc/99/33/05/612993305.db2.gz	ORJGIYMCDZDMOZ-UHFFFAOYSA-N	-1	0	276.340	0.593	20	30		CCEDRM
C#CCO[N-]C(=O)c1ccc(=O)n(Cc2ccccc2)n1	ZINC000812782256	612993506	/nfs/dbraw/zinc/99/35/06/612993506.db2.gz	UQDXSIPWMBDRNB-UHFFFAOYSA-N	-1	0	283.287	0.586	20	30		CCEDRM
C#CCO[C@@H](C)C(=O)N1CC(F)(F)C[C@H]1C(=O)[O-]	ZINC000910435384	612994264	/nfs/dbraw/zinc/99/42/64/612994264.db2.gz	JQVMVRWLMVUJPC-YUMQZZPRSA-N	-1	0	261.224	0.346	20	30		CCEDRM
C#CCO[C@@H](C)C(=O)N1CCSC[C@H]1CC(=O)[O-]	ZINC000909011027	612995232	/nfs/dbraw/zinc/99/52/32/612995232.db2.gz	MQXJFHIPVSFLOE-VHSXEESVSA-N	-1	0	271.338	0.443	20	30		CCEDRM
C#CCO[C@@H](C)C(=O)N1C[C@@H]2CCC[C@]2(C(=O)[O-])C1	ZINC000910420280	612995639	/nfs/dbraw/zinc/99/56/39/612995639.db2.gz	WWIKRCKOWNDJRN-MJVIPROJSA-N	-1	0	265.309	0.738	20	30		CCEDRM
C#CCO[C@@H](C)C(=O)N[C@H](Cc1ccncc1)C(=O)[O-]	ZINC000911427776	612997358	/nfs/dbraw/zinc/99/73/58/612997358.db2.gz	SCGWBBJEZCMSKM-CMPLNLGQSA-N	-1	0	276.292	0.232	20	30		CCEDRM
C#CCO[C@H](C)C(=O)N(CC(=O)[O-])C1CCCC1	ZINC000910061699	612999020	/nfs/dbraw/zinc/99/90/20/612999020.db2.gz	QZONATBHBTXKLT-SNVBAGLBSA-N	-1	0	253.298	0.881	20	30		CCEDRM
C#CCO[C@H](C)C(=O)NC[C@@H](Oc1ccccc1)C(=O)[O-]	ZINC000910484737	613001446	/nfs/dbraw/zinc/00/14/46/613001446.db2.gz	HMQJWZSVFSYAJW-DGCLKSJQSA-N	-1	0	291.303	0.673	20	30		CCEDRM
C#CCO[C@H](C)C(=O)[N-]S(=O)(=O)C[C@@H](C)CCC	ZINC000835156856	613002045	/nfs/dbraw/zinc/00/20/45/613002045.db2.gz	RLEHKCBRFVQIEK-WDEREUQCSA-N	-1	0	275.370	0.907	20	30		CCEDRM
C#CCO[C@H](C)C(=O)N[C@@H](C(=O)[O-])c1cccnc1	ZINC000910992045	613002459	/nfs/dbraw/zinc/00/24/59/613002459.db2.gz	MUYGQGYLGUUJIU-MWLCHTKSSA-N	-1	0	262.265	0.362	20	30		CCEDRM
C#CCO[C@H](C)C(=O)N[C@H](C(=O)[O-])[C@@H]1CCCOC1	ZINC000909538728	613002915	/nfs/dbraw/zinc/00/29/15/613002915.db2.gz	MWTCFPYOYBLEKC-MXWKQRLJSA-N	-1	0	269.297	0.021	20	30		CCEDRM
C#CC[C@@H](CO)NC(=O)c1ccc(C(=O)[O-])s1	ZINC000911395870	613028907	/nfs/dbraw/zinc/02/89/07/613028907.db2.gz	WFRJHSVWSDPGFD-ZETCQYMHSA-N	-1	0	253.279	0.560	20	30		CCEDRM
C#CC[C@@H](NC(=O)[C@@H]1CCCCN1C(=O)CCC)C(=O)[O-]	ZINC000910052733	613040824	/nfs/dbraw/zinc/04/08/24/613040824.db2.gz	HQJJEZIIELMSHB-NEPJUHHUSA-N	-1	0	294.351	0.760	20	30		CCEDRM
C#CC[C@@H](NC(=O)[C@@](C)(O)CCc1ccccc1)C(=O)[O-]	ZINC000910050894	613041072	/nfs/dbraw/zinc/04/10/72/613041072.db2.gz	PPZOUFHMECXJIJ-CJNGLKHVSA-N	-1	0	289.331	0.963	20	30		CCEDRM
C#CC[C@@H](NC(=O)[C@H]1CCc2cnn(C)c2C1)C(=O)[O-]	ZINC000910050075	613041253	/nfs/dbraw/zinc/04/12/53/613041253.db2.gz	DZXZFORDAABASC-GXSJLCMTSA-N	-1	0	275.308	0.118	20	30		CCEDRM
C#CC[C@@H](NC(=O)[C@H]1CCn2ccnc2C1)C(=O)[O-]	ZINC000910047985	613041338	/nfs/dbraw/zinc/04/13/38/613041338.db2.gz	BGPIBXCALBKMBA-VHSXEESVSA-N	-1	0	261.281	0.038	20	30		CCEDRM
C#CC[C@@H](NC(=O)[C@H]1CCCc2n[nH]cc21)C(=O)[O-]	ZINC000910048533	613041342	/nfs/dbraw/zinc/04/13/42/613041342.db2.gz	MEKOSPRATSDUQC-GZMMTYOYSA-N	-1	0	261.281	0.422	20	30		CCEDRM
C#CC[C@@H](NC(=O)c1cc(OCC(F)F)ccn1)C(=O)[O-]	ZINC000910048748	613041700	/nfs/dbraw/zinc/04/17/00/613041700.db2.gz	NUIFSJSYYPJAHF-SECBINFHSA-N	-1	0	298.245	0.932	20	30		CCEDRM
C#CC[C@@H]1CCCN(C(=O)[C@H]2CC[C@@H](C(=O)[O-])O2)C1	ZINC000851615398	613044778	/nfs/dbraw/zinc/04/47/78/613044778.db2.gz	DFVPSOACEGSXIW-UTUOFQBUSA-N	-1	0	265.309	0.881	20	30		CCEDRM
C#CC[C@@H]1CCN(C(=O)CSc2n[nH]c(=O)[n-]2)C1	ZINC000862572196	613045474	/nfs/dbraw/zinc/04/54/74/613045474.db2.gz	BAXQLTHMAIPGFO-MRVPVSSYSA-N	-1	0	266.326	0.474	20	30		CCEDRM
C#CCCNC(=O)C(=O)Nc1ccccc1CC(=O)[O-]	ZINC000817668738	613046947	/nfs/dbraw/zinc/04/69/47/613046947.db2.gz	WJJRMRDKCITFIY-UHFFFAOYSA-N	-1	0	274.276	0.392	20	30		CCEDRM
C#CC[C@H](CCOC)NC(=O)CSc1n[nH]c(=O)[n-]1	ZINC000863783425	613049713	/nfs/dbraw/zinc/04/97/13/613049713.db2.gz	OBONNLQFYDGGIR-MRVPVSSYSA-N	-1	0	284.341	0.147	20	30		CCEDRM
C#CCCOc1ccc(C(=O)NCC(=O)[N-]OC)cc1	ZINC000832749301	613050908	/nfs/dbraw/zinc/05/09/08/613050908.db2.gz	SEHBHHRZBLCAGD-UHFFFAOYSA-N	-1	0	276.292	0.496	20	30		CCEDRM
C#CCCS(=O)(=O)[N-]C(=O)C1(CC=C)CCOCC1	ZINC000820896562	613052505	/nfs/dbraw/zinc/05/25/05/613052505.db2.gz	VEDVEUFLHKNKGT-UHFFFAOYSA-N	-1	0	285.365	0.829	20	30		CCEDRM
C#CCCS(=O)(=O)[N-]C(=O)C1(C)CCOCC1	ZINC000810783083	613052593	/nfs/dbraw/zinc/05/25/93/613052593.db2.gz	FALVBNHZAURTLJ-UHFFFAOYSA-N	-1	0	259.327	0.272	20	30		CCEDRM
C#CCCS(=O)(=O)[N-]C(=O)C1C[C@H]2CCC[C@@H](C1)C2=O	ZINC000810780149	613052721	/nfs/dbraw/zinc/05/27/21/613052721.db2.gz	QQIHGFJZMAZFCG-FOSCPWQOSA-N	-1	0	297.376	0.851	20	30		CCEDRM
C#CCCS(=O)(=O)[N-]C(=O)CN(C)c1ccccc1	ZINC000810784564	613052742	/nfs/dbraw/zinc/05/27/42/613052742.db2.gz	JZDHVTZKVNACMB-UHFFFAOYSA-N	-1	0	280.349	0.592	20	30		CCEDRM
C#CCCS(=O)(=O)[N-]C(=O)Cc1cn2c(n1)CCCC2	ZINC000845545394	613052964	/nfs/dbraw/zinc/05/29/64/613052964.db2.gz	QYGAOUIAPJWEBK-UHFFFAOYSA-N	-1	0	295.364	0.231	20	30		CCEDRM
C#CCCS(=O)(=O)[N-]C(=O)[C@@H](OC)C1CCC1	ZINC000850999647	613053130	/nfs/dbraw/zinc/05/31/30/613053130.db2.gz	HXUMUJYCRNSLAT-JTQLQIEISA-N	-1	0	259.327	0.271	20	30		CCEDRM
C#CCCS(=O)(=O)[N-]C(=O)c1cc(C(C)C)n[nH]1	ZINC000791110695	613053374	/nfs/dbraw/zinc/05/33/74/613053374.db2.gz	HISBOBYXVJVOFU-UHFFFAOYSA-N	-1	0	269.326	0.616	20	30		CCEDRM
C#CCCS(=O)(=O)[N-]C(=O)[C@H]1Cc2cccc(C)c2O1	ZINC000835370959	613053386	/nfs/dbraw/zinc/05/33/86/613053386.db2.gz	BVCGZIQAWCUFMR-GFCCVEGCSA-N	-1	0	293.344	0.768	20	30		CCEDRM
C#CCCS(=O)(=O)[N-]C(=O)c1cc2n(n1)CCCC2	ZINC000835371169	613053669	/nfs/dbraw/zinc/05/36/69/613053669.db2.gz	GNRFSSBQRBGTJP-UHFFFAOYSA-N	-1	0	281.337	0.302	20	30		CCEDRM
C#CCCS(=O)(=O)[N-]C(=O)c1cnn(C(C)C)c1	ZINC000810780702	613053779	/nfs/dbraw/zinc/05/37/79/613053779.db2.gz	NGFDSRHAVCPPDP-UHFFFAOYSA-N	-1	0	269.326	0.547	20	30		CCEDRM
C#CC[C@H](CO)NC(=O)c1cc(F)cc(F)c1[O-]	ZINC000936064243	613057506	/nfs/dbraw/zinc/05/75/06/613057506.db2.gz	ZNOKTUPFNSCBHJ-MRVPVSSYSA-N	-1	0	255.220	0.784	20	30		CCEDRM
C#CC[C@H](CO)[N-]S(=O)(=O)N=[S@@](C)(=O)C(C)(C)C	ZINC000882340735	613059166	/nfs/dbraw/zinc/05/91/66/613059166.db2.gz	PTYVLVGDOVYYQD-XLFHBGCDSA-N	-1	0	296.414	0.101	20	30		CCEDRM
COc1ccccc1CC(=O)[N-]S(=O)(=O)CCC#N	ZINC000821582592	617314263	/nfs/dbraw/zinc/31/42/63/617314263.db2.gz	RDFJNABUFPIQCI-UHFFFAOYSA-N	-1	0	282.321	0.597	20	30		CCEDRM
C#CCN(C(=O)CNC(=O)CNC(=O)[O-])C1CCCCC1	ZINC000833787650	613065810	/nfs/dbraw/zinc/06/58/10/613065810.db2.gz	WQFVIZSOARHJCN-UHFFFAOYSA-N	-1	0	295.339	0.165	20	30		CCEDRM
C#CC[C@H](NC(=O)CN(C)c1ccccc1)C(=O)[O-]	ZINC000910051957	613067831	/nfs/dbraw/zinc/06/78/31/613067831.db2.gz	JYZXGZCIROPBFG-LBPRGKRZSA-N	-1	0	260.293	0.716	20	30		CCEDRM
C#CC[C@H](NC(=O)CCc1scnc1C)C(=O)[O-]	ZINC000910050662	613067880	/nfs/dbraw/zinc/06/78/80/613067880.db2.gz	MZXJKWGHJBJQKI-VIFPVBQESA-N	-1	0	266.322	0.977	20	30		CCEDRM
C#CC[C@H](NC(=O)Cc1c(CC)nn(C)c1CC)C(=O)[O-]	ZINC000910050047	613068024	/nfs/dbraw/zinc/06/80/24/613068024.db2.gz	CVNSWYIBWDNNAL-LBPRGKRZSA-N	-1	0	291.351	0.680	20	30		CCEDRM
C#CC[C@H](NC(=O)C[C@@H](OC)C(F)(F)F)C(=O)[O-]	ZINC000910046556	613068134	/nfs/dbraw/zinc/06/81/34/613068134.db2.gz	SDAVKRSUHFHDHA-NKWVEPMBSA-N	-1	0	267.203	0.547	20	30		CCEDRM
C#CC[C@H](NC(=O)[C@@H](C)OC[C@H]1CCCO1)C(=O)[O-]	ZINC000910052628	613068474	/nfs/dbraw/zinc/06/84/74/613068474.db2.gz	DBGLONKCHPJCPP-MXWKQRLJSA-N	-1	0	269.297	0.163	20	30		CCEDRM
C#CC[C@H](NC(=O)c1cc(C(F)(F)F)nn1C)C(=O)[O-]	ZINC000910049112	613069929	/nfs/dbraw/zinc/06/99/29/613069929.db2.gz	SQZLPFPLMJDPEN-LURJTMIESA-N	-1	0	289.213	0.645	20	30		CCEDRM
C#C[C@@H](C)NS(=O)(=O)N=S1(=O)CCCC1	ZINC000820796891	613082431	/nfs/dbraw/zinc/08/24/31/613082431.db2.gz	XITTXFTZJRTLQP-MRVPVSSYSA-N	-1	0	250.345	0.104	20	30		CCEDRM
C#CCN(CC#C)CC(=O)N[C@@H](C(=O)[O-])[C@H](C)CC	ZINC000825608852	613098985	/nfs/dbraw/zinc/09/89/85/613098985.db2.gz	MQUKSIZSWZATAW-DGCLKSJQSA-N	-1	0	264.325	0.170	20	30		CCEDRM
C#CCN(CC#CC)C(=O)[C@@]1(F)CCN(C(=O)[O-])C1	ZINC000823450744	613100237	/nfs/dbraw/zinc/10/02/37/613100237.db2.gz	IDERLOLFSIACFA-CYBMUJFWSA-N	-1	0	266.272	0.564	20	30		CCEDRM
C#C[C@@H]1CCCCN1C(=O)NCC(=O)[N-]OCC	ZINC000895570141	613101562	/nfs/dbraw/zinc/10/15/62/613101562.db2.gz	DLAIOPGCYUKKAL-SNVBAGLBSA-N	-1	0	253.302	0.251	20	30		CCEDRM
C#C[C@H](C)NS(=O)(=O)c1cc(C(=O)OC)ccn1	ZINC000915042362	613118887	/nfs/dbraw/zinc/11/88/87/613118887.db2.gz	WRZXMJKOHHNDMT-QMMMGPOBSA-N	-1	0	268.294	0.168	20	30		CCEDRM
C#C[C@H](CCC)NC(=O)CCCn1c(=O)[n-][nH]c1=O	ZINC000907711909	613122395	/nfs/dbraw/zinc/12/23/95/613122395.db2.gz	DWLWMZNRZBAXNI-SECBINFHSA-N	-1	0	266.301	0.388	20	30		CCEDRM
C#C[C@H](NC(=O)NCC1(C(=O)[O-])CCC1)[C@@H]1CCCO1	ZINC000851652719	613138970	/nfs/dbraw/zinc/13/89/70/613138970.db2.gz	XQMGZMPXLPFQLM-QWRGUYRKSA-N	-1	0	280.324	0.721	20	30		CCEDRM
C#Cc1ccc(C(=O)N2CC[C@@](F)(C(=O)[O-])C2)cn1	ZINC000825636881	613173500	/nfs/dbraw/zinc/17/35/00/613173500.db2.gz	WDMLDEJCCOYIGF-ZDUSSCGKSA-N	-1	0	262.240	0.702	20	30		CCEDRM
C#Cc1ccc(C(=O)N2CC[C@](OC)(C(=O)[O-])C2)cc1	ZINC000910222985	613174866	/nfs/dbraw/zinc/17/48/66/613174866.db2.gz	SDEFAWYPJXAQNX-OAHLLOKOSA-N	-1	0	273.288	0.984	20	30		CCEDRM
C=C(Br)CNC(=O)CCc1nnn[n-]1	ZINC000865024134	613236209	/nfs/dbraw/zinc/23/62/09/613236209.db2.gz	YQNCYUZBOTVJHG-UHFFFAOYSA-N	-1	0	260.095	0.157	20	30		CCEDRM
C#Cc1ccc(C(=O)N[C@]2(C(=O)[O-])CCSC2)nc1	ZINC000833368328	613192823	/nfs/dbraw/zinc/19/28/23/613192823.db2.gz	LKXGFLMDIHDBKC-CYBMUJFWSA-N	-1	0	276.317	0.753	20	30		CCEDRM
C#CCN1CCC[C@H]1C(=O)N[C@@H](CC(=O)[O-])C(F)(F)F	ZINC000911157137	613200782	/nfs/dbraw/zinc/20/07/82/613200782.db2.gz	JFCWJIVWHGGCQB-IUCAKERBSA-N	-1	0	292.257	0.606	20	30		CCEDRM
C#Cc1cccc(NC(=O)C(=O)N[C@@H](C)C(=O)[O-])c1	ZINC000817675207	613202790	/nfs/dbraw/zinc/20/27/90/613202790.db2.gz	AUAPKWNRYIIWDH-QMMMGPOBSA-N	-1	0	260.249	0.196	20	30		CCEDRM
C#CCN1CCC[C@H]1C(=O)Nc1cncc(C(=O)[O-])c1	ZINC000833364325	613203321	/nfs/dbraw/zinc/20/33/21/613203321.db2.gz	JMBLYHIWZJSTKA-LBPRGKRZSA-N	-1	0	273.292	0.816	20	30		CCEDRM
C#CCN1CCN(C(=O)[C@H](C(=O)[O-])C(C)C)CC1	ZINC000911150005	613207514	/nfs/dbraw/zinc/20/75/14/613207514.db2.gz	CQBJPWKGMPRISR-LLVKDONJSA-N	-1	0	252.314	0.121	20	30		CCEDRM
C=C(C)C(C)(C)C(=O)N1CCC(O)(c2nnn[n-]2)CC1	ZINC000907939999	613240265	/nfs/dbraw/zinc/24/02/65/613240265.db2.gz	HKELMUOIDOCTIF-UHFFFAOYSA-N	-1	0	279.344	0.612	20	30		CCEDRM
C/C(=C/c1cccnc1)C(=O)[N-]S(=O)(=O)CCC#N	ZINC000847707293	613245490	/nfs/dbraw/zinc/24/54/90/613245490.db2.gz	HOIMVTOIXCWDCX-NTMALXAHSA-N	-1	0	279.321	0.845	20	30		CCEDRM
C/C(=C/c1ccncc1)C(=O)[N-]S(=O)(=O)CCC#N	ZINC000847706825	613247993	/nfs/dbraw/zinc/24/79/93/613247993.db2.gz	AIXPTBRDZZOQSD-KTKRTIGZSA-N	-1	0	279.321	0.845	20	30		CCEDRM
C#CCNC(=O)COC(=O)[C@@H]1CCC[C@H](NC(=O)[O-])C1	ZINC000823455224	613332112	/nfs/dbraw/zinc/33/21/12/613332112.db2.gz	AXWOVMVJECTILQ-ZJUUUORDSA-N	-1	0	282.296	0.105	20	30		CCEDRM
C=C(C)COCCNC(=O)C(C)(C)CNC(=O)[O-]	ZINC000823480504	613351956	/nfs/dbraw/zinc/35/19/56/613351956.db2.gz	DZOQQZNQHFDOCC-UHFFFAOYSA-N	-1	0	258.318	0.989	20	30		CCEDRM
C=C(C)COCCNC(=O)[C@@H]1COCCN1C(=O)[O-]	ZINC000823480587	613352194	/nfs/dbraw/zinc/35/21/94/613352194.db2.gz	HRUJKPMGIUENCK-JTQLQIEISA-N	-1	0	272.301	0.074	20	30		CCEDRM
C=C(C)CO[N-]C(=O)C(=O)Nc1cn(C)c(=O)cc1C	ZINC000846145947	613352330	/nfs/dbraw/zinc/35/23/30/613352330.db2.gz	JELXUEZIFPWJQF-UHFFFAOYSA-N	-1	0	279.296	0.256	20	30		CCEDRM
C=C(C)CO[N-]C(=O)C(=O)Nc1c(C)cnn1C	ZINC000850476823	613352365	/nfs/dbraw/zinc/35/23/65/613352365.db2.gz	QLYJETLFBHLKDD-UHFFFAOYSA-N	-1	0	252.274	0.291	20	30		CCEDRM
C=C(C)CO[N-]C(=O)CN1C(=O)N[C@](C)(C2CC2)C1=O	ZINC000846538583	613352557	/nfs/dbraw/zinc/35/25/57/613352557.db2.gz	VVGRVTDXSFLURT-CYBMUJFWSA-N	-1	0	281.312	0.331	20	30		CCEDRM
C=C(C)CS(=O)(=O)N1C[C@H]2COCC[C@@]2(C(=O)[O-])C1	ZINC000830058592	613354159	/nfs/dbraw/zinc/35/41/59/613354159.db2.gz	WNCIRPPCDWWNNU-CMPLNLGQSA-N	-1	0	289.353	0.315	20	30		CCEDRM
C=C(C)C[C@@H](NC(=O)CCn1ccnc1)C(=O)[O-]	ZINC000910295493	613355760	/nfs/dbraw/zinc/35/57/60/613355760.db2.gz	WLXXDVOLDDXNHO-SNVBAGLBSA-N	-1	0	251.286	0.809	20	30		CCEDRM
C=C(C)C[C@@H](NC(=O)COC1CCOCC1)C(=O)[O-]	ZINC000910291048	613355792	/nfs/dbraw/zinc/35/57/92/613355792.db2.gz	CCXAVRJILQJJKI-LLVKDONJSA-N	-1	0	271.313	0.718	20	30		CCEDRM
C=C(C)C[C@H](NC(=O)CCn1ccnc1)C(=O)[O-]	ZINC000910295492	613358659	/nfs/dbraw/zinc/35/86/59/613358659.db2.gz	WLXXDVOLDDXNHO-JTQLQIEISA-N	-1	0	251.286	0.809	20	30		CCEDRM
C=C(C)C[C@H](NC(=O)N[C@H]1CO[C@H](C)C1)C(=O)[O-]	ZINC000909037211	613358755	/nfs/dbraw/zinc/35/87/55/613358755.db2.gz	DIMZABJKMSRGFL-BBBLOLIVSA-N	-1	0	256.302	0.882	20	30		CCEDRM
C=C(C)C[C@H](NC(=O)NC[C@]1(OC)CCOC1)C(=O)[O-]	ZINC000909190381	613358841	/nfs/dbraw/zinc/35/88/41/613358841.db2.gz	ODAQDOQOCPIFQS-GXFFZTMASA-N	-1	0	286.328	0.511	20	30		CCEDRM
C=C(C)C[C@H](NC(=O)[C@@H]1CC[C@H]1C(=O)[O-])C(=O)OC	ZINC000902320278	613358922	/nfs/dbraw/zinc/35/89/22/613358922.db2.gz	AAFGBJJIRWQAHA-BBBLOLIVSA-N	-1	0	269.297	0.721	20	30		CCEDRM
C=C(C)[C@@H]1OCC[C@H]1CNC(=O)[C@@H]1C[C@H]1C(=O)[O-]	ZINC000907737090	613362151	/nfs/dbraw/zinc/36/21/51/613362151.db2.gz	NDZKZBLLIOKUEW-ZDCRXTMVSA-N	-1	0	253.298	0.805	20	30		CCEDRM
C=C(C)[C@H]1OCC[C@@H]1CNC(=O)N[C@@H](COC)C(=O)[O-]	ZINC000905538222	613362826	/nfs/dbraw/zinc/36/28/26/613362826.db2.gz	OTNNBIDWRGEVKM-OUAUKWLOSA-N	-1	0	286.328	0.366	20	30		CCEDRM
C=C(CC)Cn1cnc2c(cnn2CC(=O)[O-])c1=O	ZINC000833370101	613363352	/nfs/dbraw/zinc/36/33/52/613363352.db2.gz	KPKMMQPPHOTRMB-UHFFFAOYSA-N	-1	0	262.269	0.644	20	30		CCEDRM
C=C(Cl)C[C@H](NC(=O)CCCS(C)(=O)=O)C(=O)[O-]	ZINC000864183383	613390563	/nfs/dbraw/zinc/39/05/63/613390563.db2.gz	JNXDVYYJERSULQ-QMMMGPOBSA-N	-1	0	297.760	0.523	20	30		CCEDRM
C=CC[C@@H](CO)CNc1cc(C)nc2nc(C(=O)[O-])nn21	ZINC000833371776	613403059	/nfs/dbraw/zinc/40/30/59/613403059.db2.gz	WBOKVLINXZQVOT-SECBINFHSA-N	-1	0	291.311	0.727	20	30		CCEDRM
C=CC[C@@H](CO)[N-]S(=O)(=O)N=[S@@](C)(=O)C(C)(C)C	ZINC000872472849	613405091	/nfs/dbraw/zinc/40/50/91/613405091.db2.gz	VABVCAKKVCZRRE-XYZCENFISA-N	-1	0	298.430	0.654	20	30		CCEDRM
C=CCn1c(C)nnc1Sc1c(C)[n-][nH]c1=O	ZINC000915817148	613423965	/nfs/dbraw/zinc/42/39/65/613423965.db2.gz	ZKOOWKFNZHNGEO-MRVPVSSYSA-N	-1	0	251.315	0.739	20	30		CCEDRM
C=CCn1cc(C(=O)N2CC[C@@H](C(=O)[O-])C[C@H]2C)nn1	ZINC000923152974	613426128	/nfs/dbraw/zinc/42/61/28/613426128.db2.gz	LNAIIMZLUKILOH-NXEZZACHSA-N	-1	0	278.312	0.789	20	30		CCEDRM
C=CCn1cc(CNC(=O)[C@H]2CCCC[C@H]2C(=O)[O-])nn1	ZINC000909851470	613435009	/nfs/dbraw/zinc/43/50/09/613435009.db2.gz	UMHRUKWIDHVAEV-NWDGAFQWSA-N	-1	0	292.339	0.971	20	30		CCEDRM
C=CCn1cc(CNC(=O)[C@H](CC)C(=O)[O-])nn1	ZINC000909850948	613435106	/nfs/dbraw/zinc/43/51/06/613435106.db2.gz	JLKSDIVHPHVBEV-VIFPVBQESA-N	-1	0	252.274	0.191	20	30		CCEDRM
C=C[C@@H](C)O[N-]C(=O)C(=O)Nc1cnn(CCF)c1	ZINC000861898675	613443214	/nfs/dbraw/zinc/44/32/14/613443214.db2.gz	JHNZIBKNSQQVPT-MRVPVSSYSA-N	-1	0	270.264	0.413	20	30		CCEDRM
C=C[C@@H](C)O[N-]C(=O)C(=O)Nc1ccc(OC)nc1OC	ZINC000846155220	613443316	/nfs/dbraw/zinc/44/33/16/613443316.db2.gz	PEMMFTYQWBRASC-MRVPVSSYSA-N	-1	0	295.295	0.660	20	30		CCEDRM
C=C[C@@H](C)O[N-]C(=O)CNS(=O)(=O)c1cccs1	ZINC000846551618	613443558	/nfs/dbraw/zinc/44/35/58/613443558.db2.gz	WNZYETGPOKTQBJ-MRVPVSSYSA-N	-1	0	290.366	0.649	20	30		CCEDRM
C=C[C@@H](C)ONC(=O)Cc1c(C)[nH]c2ccnn2c1=O	ZINC000846544578	613443690	/nfs/dbraw/zinc/44/36/90/613443690.db2.gz	HPWZRBLVWNOQES-MRVPVSSYSA-N	-1	0	276.296	0.496	20	30		CCEDRM
C=C[C@@H](C)O[N-]C(=O)[C@H](C)S(=O)(=O)C1CCOCC1	ZINC000846547204	613447213	/nfs/dbraw/zinc/44/72/13/613447213.db2.gz	IOTQJHGQGZAPQV-ZJUUUORDSA-N	-1	0	291.369	0.591	20	30		CCEDRM
C=C[C@@H](C)O[N-]C(=O)[C@@H](OC)C(=O)OC(C)(C)C	ZINC000869153782	613447278	/nfs/dbraw/zinc/44/72/78/613447278.db2.gz	GHGMMBWYTLQVPP-RKDXNWHRSA-N	-1	0	259.302	0.965	20	30		CCEDRM
C=CC(C)(C)CCNC(=O)C(=O)NC[C@@H](CC)C(=O)[O-]	ZINC000927954072	613447600	/nfs/dbraw/zinc/44/76/00/613447600.db2.gz	PHRXWNVUSGCCFH-SNVBAGLBSA-N	-1	0	284.356	0.932	20	30		CCEDRM
C=CC1(S(=O)(=O)[N-]C(=O)CCOCCCOC)CC1	ZINC000870838741	613450460	/nfs/dbraw/zinc/45/04/60/613450460.db2.gz	LCKIRSAREMTTPY-UHFFFAOYSA-N	-1	0	291.369	0.594	20	30		CCEDRM
C=CC1(S(=O)(=O)[N-]C(=O)Cn2cc(C3CC3)cn2)CC1	ZINC000870838482	613450867	/nfs/dbraw/zinc/45/08/67/613450867.db2.gz	BEISVKMOIRFJAI-UHFFFAOYSA-N	-1	0	295.364	0.925	20	30		CCEDRM
C=CC1(S(=O)(=O)[N-]C(=O)Cc2c(C)noc2C)CC1	ZINC000870832222	613450878	/nfs/dbraw/zinc/45/08/78/613450878.db2.gz	XVWOWINFFDFIDR-UHFFFAOYSA-N	-1	0	284.337	0.999	20	30		CCEDRM
C=CC1(S(=O)(=O)[N-]C(=O)[C@H]2CO[C@@H](C)C2)CC1	ZINC000870836223	613452018	/nfs/dbraw/zinc/45/20/18/613452018.db2.gz	UFPKZWPZZAYJGX-DTWKUNHWSA-N	-1	0	259.327	0.576	20	30		CCEDRM
C=CCC1(C(=O)Nn2c(=O)[n-][nH]c2=O)CCCC1	ZINC000854613300	613456919	/nfs/dbraw/zinc/45/69/19/613456919.db2.gz	WUNUCDRRMQHGKB-UHFFFAOYSA-N	-1	0	252.274	0.896	20	30		CCEDRM
C=CCC1(C(=O)[O-])CN(S(=O)(=O)c2ccoc2)C1	ZINC000906007041	613457035	/nfs/dbraw/zinc/45/70/35/613457035.db2.gz	RLFALVDTJBEPST-UHFFFAOYSA-N	-1	0	271.294	0.931	20	30		CCEDRM
C=CCC1(C(=O)[O-])CN(S(=O)(=O)CCCC#N)C1	ZINC000906007013	613457085	/nfs/dbraw/zinc/45/70/85/613457085.db2.gz	PTVNSOBXUGLBJM-UHFFFAOYSA-N	-1	0	272.326	0.583	20	30		CCEDRM
C=CCC1(S(=O)(=O)[N-]C(=O)COCCC)CC1	ZINC000810982438	613460741	/nfs/dbraw/zinc/46/07/41/613460741.db2.gz	QUXZUBYZMHAEGX-UHFFFAOYSA-N	-1	0	261.343	0.968	20	30		CCEDRM
C=CCC1(S(=O)(=O)[N-]C(=O)Cc2cnn(C)c2)CC1	ZINC000810985573	613460876	/nfs/dbraw/zinc/46/08/76/613460876.db2.gz	AZKTYNROIATUQT-UHFFFAOYSA-N	-1	0	283.353	0.517	20	30		CCEDRM
C=CCC1(S(=O)(=O)[N-]C(=O)c2cn(C)nc2C)CC1	ZINC000810986554	613461150	/nfs/dbraw/zinc/46/11/50/613461150.db2.gz	DWVPPBOPJNOKKJ-UHFFFAOYSA-N	-1	0	283.353	0.897	20	30		CCEDRM
C=C[C@@H]1OCCC[C@H]1[N-]S(=O)(=O)N=S(C)(C)=O	ZINC000867355763	613461389	/nfs/dbraw/zinc/46/13/89/613461389.db2.gz	GYOHMNRCCKUNBR-BDAKNGLRSA-N	-1	0	282.387	0.282	20	30		CCEDRM
C=CCC1(S(=O)(=O)[N-]C(=O)[C@]2(C)CCOC2)CC1	ZINC000810986381	613461471	/nfs/dbraw/zinc/46/14/71/613461471.db2.gz	XPPJEROHFHQVLB-LLVKDONJSA-N	-1	0	273.354	0.968	20	30		CCEDRM
C=CCCC(=O)[N-]S(=O)(=O)c1cnc(OC)nc1	ZINC000893779401	613463071	/nfs/dbraw/zinc/46/30/71/613463071.db2.gz	ZEIUVKUASSOZCA-UHFFFAOYSA-N	-1	0	271.298	0.256	20	30		CCEDRM
C=C[C@@H]1OCC[C@H]1C(=O)[N-]S(=O)(=O)CC(F)(F)F	ZINC000835186738	613465787	/nfs/dbraw/zinc/46/57/87/613465787.db2.gz	UEJYTUYLCJMXBG-RQJHMYQMSA-N	-1	0	287.259	0.586	20	30		CCEDRM
C=CCCC[C@H](NC(=O)CCn1cncn1)C(=O)[O-]	ZINC000910917943	613473393	/nfs/dbraw/zinc/47/33/93/613473393.db2.gz	GHQAGPRHDNOESM-JTQLQIEISA-N	-1	0	266.301	0.594	20	30		CCEDRM
C=CCCC[C@H](NS(=O)(=O)N(C)CC1CC1)C(=O)[O-]	ZINC000903058908	613474926	/nfs/dbraw/zinc/47/49/26/613474926.db2.gz	KPNUBWIYJJENAU-NSHDSACASA-N	-1	0	290.385	0.972	20	30		CCEDRM
C=C[C@H](C)O[N-]C(=O)C(=O)Nc1ccnc(OC)n1	ZINC000846156051	613483731	/nfs/dbraw/zinc/48/37/31/613483731.db2.gz	JZNPDRQVUORSHL-ZETCQYMHSA-N	-1	0	266.257	0.046	20	30		CCEDRM
C=C[C@H](C)O[N-]C(=O)C(=O)Nc1c(C)c(C)nn1C	ZINC000846154052	613483804	/nfs/dbraw/zinc/48/38/04/613483804.db2.gz	NDULPUIINKLNLA-ZETCQYMHSA-N	-1	0	266.301	0.598	20	30		CCEDRM
C=C[C@H](C)O[N-]C(=O)CN1C(=O)N[C@](C)(C2CC2)C1=O	ZINC000846544275	613484085	/nfs/dbraw/zinc/48/40/85/613484085.db2.gz	VXWCDCCWTQPHNT-ISVAXAHUSA-N	-1	0	281.312	0.329	20	30		CCEDRM
C=C[C@H](C)O[N-]C(=O)CNS(=O)(=O)c1ccc(C)cc1	ZINC000846541425	613484190	/nfs/dbraw/zinc/48/41/90/613484190.db2.gz	GYPYZTJJZUHKRF-NSHDSACASA-N	-1	0	298.364	0.896	20	30		CCEDRM
C=C[C@H](C)O[N-]C(=O)CN(C)C(=O)[C@H](C)n1cccn1	ZINC000846550771	613484268	/nfs/dbraw/zinc/48/42/68/613484268.db2.gz	REQVESGQRCGYOR-QWRGUYRKSA-N	-1	0	280.328	0.525	20	30		CCEDRM
C=C[C@H](C)O[N-]C(=O)CN1C(=O)[C@H]2CCCC[C@@H]2C1=O	ZINC000846541635	613484273	/nfs/dbraw/zinc/48/42/73/613484273.db2.gz	JTEKHEITXAQWPO-DCAQKATOSA-N	-1	0	280.324	0.784	20	30		CCEDRM
C=C[C@H](C)ONC(=O)Cc1cc(=O)n(CC(C)C)[n-]1	ZINC000824033517	613484531	/nfs/dbraw/zinc/48/45/31/613484531.db2.gz	NUDZAOFVUPDFGB-JTQLQIEISA-N	-1	0	267.329	0.997	20	30		CCEDRM
C=C[C@H](C)O[N-]C(=O)[C@@H]1C[C@H](O)CN1c1ccncn1	ZINC000824232514	613488319	/nfs/dbraw/zinc/48/83/19/613488319.db2.gz	JSWIBYUMPWXIAW-DCAQKATOSA-N	-1	0	278.312	0.039	20	30		CCEDRM
C=C[C@H](C)O[N-]C(=O)[C@@](C)(O)Cn1c(C)cccc1=O	ZINC000846553324	613488357	/nfs/dbraw/zinc/48/83/57/613488357.db2.gz	APPSSWHBBBBEJV-FZMZJTMJSA-N	-1	0	280.324	0.530	20	30		CCEDRM
C=C[C@H](O)C(=O)N(C)[C@@H](Cc1ccccc1)C(=O)[O-]	ZINC000909640931	613493543	/nfs/dbraw/zinc/49/35/43/613493543.db2.gz	RWPZFQSLSCZJAI-RYUDHWBXSA-N	-1	0	263.293	0.688	20	30		CCEDRM
C=C[C@H](O)C(=O)N1CC[C@](C(=O)[O-])(C(F)(F)F)C1	ZINC000909764629	613494889	/nfs/dbraw/zinc/49/48/89/613494889.db2.gz	YTZKLPIXBZVQNF-RCOVLWMOSA-N	-1	0	267.203	0.399	20	30		CCEDRM
C=C[C@](C)(O)C(=O)NC[C@@H](Oc1ccccc1)C(=O)[O-]	ZINC000910484734	613507865	/nfs/dbraw/zinc/50/78/65/613507865.db2.gz	HLESDAXLPAKEIE-RISCZKNCSA-N	-1	0	279.292	0.572	20	30		CCEDRM
C=C[C@](C)(O)CC(=O)N[C@@H](c1nnn[n-]1)c1ccccc1	ZINC000810189207	613509875	/nfs/dbraw/zinc/50/98/75/613509875.db2.gz	MKBGHPZEKVIRCD-OCCSQVGLSA-N	-1	0	287.323	0.732	20	30		CCEDRM
CC#CCCNC(=O)N[C@H](C[C@H]1CCCO1)C(=O)[O-]	ZINC000909031505	613522778	/nfs/dbraw/zinc/52/27/78/613522778.db2.gz	KXNKUSPCNNIQON-GHMZBOCLSA-N	-1	0	268.313	0.721	20	30		CCEDRM
CC#CCN1C(=O)N[C@]2(CCCC[C@@H]2CNC(=O)[O-])C1=O	ZINC000823521983	613525034	/nfs/dbraw/zinc/52/50/34/613525034.db2.gz	OTCAYZYTKPRPAI-YGRLFVJLSA-N	-1	0	293.323	0.758	20	30		CCEDRM
C=CCCOCC(=O)N[C@H]1C[C@@H](C(=O)[O-])[C@@H]2C[C@@H]21	ZINC000923200108	613573310	/nfs/dbraw/zinc/57/33/10/613573310.db2.gz	VKESCMFBCZSQGY-YTWAJWBKSA-N	-1	0	253.298	0.805	20	30		CCEDRM
C=CCCO[N-]C(=O)CS(=O)(=O)N(CC)CC	ZINC000856032690	613576634	/nfs/dbraw/zinc/57/66/34/613576634.db2.gz	SOKBOUZUHFDFKA-UHFFFAOYSA-N	-1	0	264.347	0.282	20	30		CCEDRM
C=CCCO[N-]C(=O)CNS(=O)(=O)CCCC	ZINC000856034960	613576779	/nfs/dbraw/zinc/57/67/79/613576779.db2.gz	YRJACHNRBXKHAE-UHFFFAOYSA-N	-1	0	264.347	0.330	20	30		CCEDRM
C=CCCO[N-]C(=O)[C@H](CCSC)NC(N)=O	ZINC000862217763	613577305	/nfs/dbraw/zinc/57/73/05/613577305.db2.gz	RDYWCTICXLXYFI-QMMMGPOBSA-N	-1	0	261.347	0.400	20	30		CCEDRM
C=CCCS(=O)(=O)N1CCO[C@H]([C@@H](C)NC(=O)[O-])C1	ZINC000823500858	613580626	/nfs/dbraw/zinc/58/06/26/613580626.db2.gz	MLQSRBVGEVCBMV-ZJUUUORDSA-N	-1	0	292.357	0.249	20	30		CCEDRM
C=CCC[C@@H](NC(=O)[C@@H](OC)c1cnn(C)c1)C(=O)[O-]	ZINC000909715310	613585153	/nfs/dbraw/zinc/58/51/53/613585153.db2.gz	LNERIVSWGVMMDR-MNOVXSKESA-N	-1	0	281.312	0.643	20	30		CCEDRM
C=CCC[C@H](NC(=O)CCc1cncn1C)C(=O)[O-]	ZINC000909714660	613589452	/nfs/dbraw/zinc/58/94/52/613589452.db2.gz	ZDPWTMTXXAJGCY-NSHDSACASA-N	-1	0	265.313	0.888	20	30		CCEDRM
C=CCC[C@H](NC(=O)/C=C(/C)CN1CCOCC1)C(=O)[O-]	ZINC000909713790	613589496	/nfs/dbraw/zinc/58/94/96/613589496.db2.gz	SAJWWDZZIAZWEF-UKVQZPPCSA-N	-1	0	296.367	0.801	20	30		CCEDRM
C=CCC[C@H](NC(=O)[C@H](O)CCSC)C(=O)[O-]	ZINC000909717708	613589937	/nfs/dbraw/zinc/58/99/37/613589937.db2.gz	KKLYMDQKLBLRPP-DTWKUNHWSA-N	-1	0	261.343	0.636	20	30		CCEDRM
C=CCC[C@H](NC(=O)[C@H](O)C1CCOCC1)C(=O)[O-]	ZINC000909714650	613590121	/nfs/dbraw/zinc/59/01/21/613590121.db2.gz	YYQPCXOSESNUTG-WDEREUQCSA-N	-1	0	271.313	0.310	20	30		CCEDRM
C=CCC[C@H](NC(=O)c1nnn(C)c1C)C(=O)[O-]	ZINC000909712172	613590292	/nfs/dbraw/zinc/59/02/92/613590292.db2.gz	ILINWYYPOSBPNA-QMMMGPOBSA-N	-1	0	252.274	0.273	20	30		CCEDRM
C=CCCn1cc(C(=O)NC(C)(C)CC(=O)[O-])nn1	ZINC000819924286	613594438	/nfs/dbraw/zinc/59/44/38/613594438.db2.gz	LCYHSMUZZNDEFB-UHFFFAOYSA-N	-1	0	266.301	0.837	20	30		CCEDRM
C=CCN(C(=O)C(=O)N1C[C@H](C)C[C@H](C(=O)[O-])C1)C(C)C	ZINC000817895620	613601621	/nfs/dbraw/zinc/60/16/21/613601621.db2.gz	WLDCBIMHUJPAGA-NEPJUHHUSA-N	-1	0	296.367	0.979	20	30		CCEDRM
C=CCN(C(=O)c1c[nH]c(-c2nn[nH]n2)c1)C1CC1	ZINC000823903945	613607398	/nfs/dbraw/zinc/60/73/98/613607398.db2.gz	OHUCOXIUNMLZTG-UHFFFAOYSA-N	-1	0	258.285	0.985	20	30		CCEDRM
CC#CCS(=O)(=O)[N-]C(=O)[C@@H](OC)[C@H](C)CC	ZINC000810769714	613646758	/nfs/dbraw/zinc/64/67/58/613646758.db2.gz	DJMHGFZXBQWXNB-ZJUUUORDSA-N	-1	0	261.343	0.517	20	30		CCEDRM
C=CCN(CC(=O)[O-])C(=O)Cc1nc(CC)c[nH]1	ZINC000909514912	613642393	/nfs/dbraw/zinc/64/23/93/613642393.db2.gz	DIRSDQBTYFWCPS-UHFFFAOYSA-N	-1	0	251.286	0.614	20	30		CCEDRM
C=CCN(CC(=O)[O-])C(=O)N[C@H]1CCO[C@]2(CCOC2)C1	ZINC000908700720	613643335	/nfs/dbraw/zinc/64/33/35/613643335.db2.gz	XGRYYKFEMFULKL-SMDDNHRTSA-N	-1	0	298.339	0.607	20	30		CCEDRM
CC#CCS(=O)(=O)[N-]C(=O)[C@@H](C)CCCOC	ZINC000810772756	613646141	/nfs/dbraw/zinc/64/61/41/613646141.db2.gz	DMCZPLZWUDJINL-JTQLQIEISA-N	-1	0	261.343	0.518	20	30		CCEDRM
CC#CCS(=O)(=O)[N-]C(=O)[C@@H]1O[C@@H](C)C[C@@H]1C	ZINC000810776920	613646640	/nfs/dbraw/zinc/64/66/40/613646640.db2.gz	NENXVCQZOLUIEL-LPEHRKFASA-N	-1	0	259.327	0.269	20	30		CCEDRM
CC#CCS(=O)(=O)[N-]C(=O)[C@H]1CCC[C@@H](OC)C1	ZINC000816056482	613647102	/nfs/dbraw/zinc/64/71/02/613647102.db2.gz	UQQFCTCXOAYCGP-WDEREUQCSA-N	-1	0	273.354	0.661	20	30		CCEDRM
CC#CCS(=O)(=O)[N-]C(=O)c1cc(C)cc(C)n1	ZINC000810772683	613647437	/nfs/dbraw/zinc/64/74/37/613647437.db2.gz	AMYFGWXVIMRQGI-UHFFFAOYSA-N	-1	0	266.322	0.781	20	30		CCEDRM
CC#CCS(=O)(=O)[N-]C(=O)c1cc(F)ccc1OC	ZINC000798202439	613647576	/nfs/dbraw/zinc/64/75/76/613647576.db2.gz	DUKDXYRUEIWAAJ-UHFFFAOYSA-N	-1	0	285.296	0.917	20	30		CCEDRM
CC#CCS(=O)(=O)[N-]C(=O)c1cc(Cl)n(C)n1	ZINC000835372033	613647649	/nfs/dbraw/zinc/64/76/49/613647649.db2.gz	OTKDDNALWWTIKY-UHFFFAOYSA-N	-1	0	275.717	0.156	20	30		CCEDRM
CC#CCS(=O)(=O)[N-]C(=O)c1cnn(C(C)C)c1C	ZINC000810772728	613648021	/nfs/dbraw/zinc/64/80/21/613648021.db2.gz	CCKFITUPOJIXCO-UHFFFAOYSA-N	-1	0	283.353	0.855	20	30		CCEDRM
CC#CCS(=O)(=O)[N-]C(=O)c1cnn2c1C[C@H](C)CC2	ZINC000842781106	613648032	/nfs/dbraw/zinc/64/80/32/613648032.db2.gz	ZBUJFPRTOWPQNP-SNVBAGLBSA-N	-1	0	295.364	0.548	20	30		CCEDRM
C=CCN1C(=O)C(=O)N(C[C@H]2CC(C(=O)[O-])=C(C)O2)C1=O	ZINC000833377511	613652300	/nfs/dbraw/zinc/65/23/00/613652300.db2.gz	ZRADXGGPZWQHTI-MRVPVSSYSA-N	-1	0	294.263	0.111	20	30		CCEDRM
CC#CC[C@H](NC(=O)OC[C@H]1CCCO1)C(=O)[O-]	ZINC000926462837	613652957	/nfs/dbraw/zinc/65/29/57/613652957.db2.gz	DGYILNFLZNAKJO-ZJUUUORDSA-N	-1	0	255.270	0.758	20	30		CCEDRM
CC(N=Nc1cncc(Cl)n1)c1cn(CC(=O)[O-])nn1	ZINC000825809293	613657023	/nfs/dbraw/zinc/65/70/23/613657023.db2.gz	RYTMOYOWMCCRLY-UHFFFAOYSA-N	-1	0	295.690	0.642	20	30		CCEDRM
CC(=NN[C@H]1CCO[C@H](C)C1)c1cn(CC(=O)[O-])nn1	ZINC000833386727	613657155	/nfs/dbraw/zinc/65/71/55/613657155.db2.gz	WDDKHFQLBKJSQV-SCZZXKLOSA-N	-1	0	281.316	0.244	20	30		CCEDRM
CC(=O)N(C)CC(=O)O[C@@H](C(=O)[O-])c1cccc(C#N)c1	ZINC000825819755	613701974	/nfs/dbraw/zinc/70/19/74/613701974.db2.gz	XGYDAWLLCUJMMI-CYBMUJFWSA-N	-1	0	290.275	0.705	20	30		CCEDRM
C=CCNC(=O)C(C#N)=C([O-])c1cnn(CC)c1C	ZINC000870139427	613852995	/nfs/dbraw/zinc/85/29/95/613852995.db2.gz	ANKNTKBYYCPUHA-JTQLQIEISA-N	-1	0	260.297	0.836	20	30		CCEDRM
C=CCNC(=O)C(C#N)=C([O-])c1cnc2n1CCC2	ZINC000850760197	613854880	/nfs/dbraw/zinc/85/48/80/613854880.db2.gz	XAGSWHDHPGSLFH-SECBINFHSA-N	-1	0	258.281	0.454	20	30		CCEDRM
C=CCNC(=O)C(C#N)=C([O-])c1c[nH]c(C(=O)OC)c1	ZINC000815908757	613854976	/nfs/dbraw/zinc/85/49/76/613854976.db2.gz	ILGRHNOXKMPKFB-SECBINFHSA-N	-1	0	275.264	0.426	20	30		CCEDRM
C=CCNC(=O)[C@H](C)OC(=O)C1(NC(=O)[O-])CC1	ZINC000823507117	613855472	/nfs/dbraw/zinc/85/54/72/613855472.db2.gz	SMYCTVAZKFMKCY-ZETCQYMHSA-N	-1	0	256.258	0.021	20	30		CCEDRM
C=CCOCC(=O)[N-]S(=O)(=O)c1cnccc1C	ZINC000842397188	613879364	/nfs/dbraw/zinc/87/93/64/613879364.db2.gz	FXMNCHJDRSQJPS-UHFFFAOYSA-N	-1	0	270.310	0.398	20	30		CCEDRM
C=CCOCC(=O)N[C@@H](C[C@H]1CCCO1)C(=O)[O-]	ZINC000910589168	613879397	/nfs/dbraw/zinc/87/93/97/613879397.db2.gz	BRRSTJWVJLPCIH-ZJUUUORDSA-N	-1	0	257.286	0.328	20	30		CCEDRM
C=CCOCC(=O)NCc1ncc(C(=O)[O-])s1	ZINC000910816019	613879409	/nfs/dbraw/zinc/87/94/09/613879409.db2.gz	HCQJIMGXJPYYMP-UHFFFAOYSA-N	-1	0	256.283	0.660	20	30		CCEDRM
C=CCOCC(=O)N[C@H](CC(=O)[O-])c1ccncc1	ZINC000911658228	613879533	/nfs/dbraw/zinc/87/95/33/613879533.db2.gz	IMEJALLDDSSJJZ-LLVKDONJSA-N	-1	0	264.281	0.916	20	30		CCEDRM
C=CCOCCCC(=O)NCCCc1c[nH][nH]c1=O	ZINC000898734082	613879722	/nfs/dbraw/zinc/87/97/22/613879722.db2.gz	WBOKMPKBTCVGEQ-NSHDSACASA-N	-1	0	267.329	0.597	20	30		CCEDRM
C=CCOC[C@@H](NC(=O)NCC1CCOCC1)C(=O)[O-]	ZINC000908686052	613881693	/nfs/dbraw/zinc/88/16/93/613881693.db2.gz	JWMDAXJMGFXFAA-LLVKDONJSA-N	-1	0	286.328	0.368	20	30		CCEDRM
C=CCOC[C@@H](NC(=O)[C@@H]1CCC(C)(C)O1)C(=O)[O-]	ZINC000909765848	613881749	/nfs/dbraw/zinc/88/17/49/613881749.db2.gz	GECAKZDVBOKNMT-ZJUUUORDSA-N	-1	0	271.313	0.716	20	30		CCEDRM
C=CCOC[C@H](NC(=O)NC[C@@H]1CCO[C@H]1C=C)C(=O)[O-]	ZINC000909237631	613882356	/nfs/dbraw/zinc/88/23/56/613882356.db2.gz	HUMJAVSIZWUXHQ-SRVKXCTJSA-N	-1	0	298.339	0.533	20	30		CCEDRM
C=CCOC[C@H](NC(=O)[C@@H]1CCc2nccn2C1)C(=O)[O-]	ZINC000909769934	613882556	/nfs/dbraw/zinc/88/25/56/613882556.db2.gz	CTEZPPBEIXXBEC-MNOVXSKESA-N	-1	0	293.323	0.218	20	30		CCEDRM
C=CCOC[C@H](NC(=O)c1ccnn1CC)C(=O)[O-]	ZINC000909771582	613882719	/nfs/dbraw/zinc/88/27/19/613882719.db2.gz	ONMLVYRDWXTAFL-VIFPVBQESA-N	-1	0	267.285	0.289	20	30		CCEDRM
C=CCO[N-]C(=O)[C@H]1CS[C@]2(C)CCC(=O)N12	ZINC000837043052	613884585	/nfs/dbraw/zinc/88/45/85/613884585.db2.gz	JZCNATXIJIJYTG-LDYMZIIASA-N	-1	0	256.327	0.674	20	30		CCEDRM
C=CCS(=O)(=O)[N-]C(=O)CCC(C)(C)[N+](=O)[O-]	ZINC000835254248	613886131	/nfs/dbraw/zinc/88/61/31/613886131.db2.gz	VCZINXQOSJFMMW-UHFFFAOYSA-N	-1	0	264.303	0.454	20	30		CCEDRM
C=CCS(=O)(=O)[N-]C(=O)c1cn(C)nc1C1CC1	ZINC000810642910	613886367	/nfs/dbraw/zinc/88/63/67/613886367.db2.gz	DCDTYNOMMXFWPV-UHFFFAOYSA-N	-1	0	269.326	0.543	20	30		CCEDRM
CC(C)(C)[C@H](O)CNC(=O)[C@@](C)(C#N)CC(=O)[O-]	ZINC000819833941	614039288	/nfs/dbraw/zinc/03/92/88/614039288.db2.gz	KQKLJHDQDMGCTE-PRHODGIISA-N	-1	0	256.302	0.514	20	30		CCEDRM
CC(C)[C@@H](F)C(=O)N1CC(n2cc(C#N)c(=O)[n-]c2=O)C1	ZINC000863934540	614106984	/nfs/dbraw/zinc/10/69/84/614106984.db2.gz	KOGOBEWVDHGJHQ-SNVBAGLBSA-N	-1	0	294.286	0.198	20	30		CCEDRM
CC(C)[C@H](C#N)NC(=O)[C@@H]1CN(C(=O)[O-])CCO1	ZINC000824054679	614187292	/nfs/dbraw/zinc/18/72/92/614187292.db2.gz	BOKRMVGUOHQWCK-IUCAKERBSA-N	-1	0	255.274	0.030	20	30		CCEDRM
CC(C)(C#N)CS(=O)(=O)[N-]C(=O)Cc1cscn1	ZINC000853113845	614287103	/nfs/dbraw/zinc/28/71/03/614287103.db2.gz	GFWFTVRWEOMIMG-UHFFFAOYSA-N	-1	0	287.366	0.681	20	30		CCEDRM
CC(C)(C(=O)[N-]S(C)(=O)=O)c1ccc(C#N)cc1	ZINC000870112025	614300505	/nfs/dbraw/zinc/30/05/05/614300505.db2.gz	ZMEGFRSKYWPQQM-UHFFFAOYSA-N	-1	0	266.322	0.912	20	30		CCEDRM
CC(C[C@@H]1CCCN1C(=O)[O-])=NNS(C)(=O)=O	ZINC000824759856	614382371	/nfs/dbraw/zinc/38/23/71/614382371.db2.gz	QMBZYJYBRHLKJC-QMMMGPOBSA-N	-1	0	263.319	0.444	20	30		CCEDRM
CCCn1cc(C(C)=NN[C@H](CC)C(=O)[O-])nn1	ZINC000905468869	614524913	/nfs/dbraw/zinc/52/49/13/614524913.db2.gz	AVHQSBYYVKWOMZ-SECBINFHSA-N	-1	0	253.306	0.865	20	30		CCEDRM
CCC(O)(CC)CNC(=O)[C@@](C)(C#N)CC(=O)[O-]	ZINC000820285050	614590632	/nfs/dbraw/zinc/59/06/32/614590632.db2.gz	NNHSBKPASWITQR-LLVKDONJSA-N	-1	0	256.302	0.658	20	30		CCEDRM
CCC1(O)CCN(C(=O)[C@@](C)(C#N)CC(=O)[O-])CC1	ZINC000820291084	614708542	/nfs/dbraw/zinc/70/85/42/614708542.db2.gz	YTTMEZOEDVGGGV-GFCCVEGCSA-N	-1	0	268.313	0.754	20	30		CCEDRM
CCN(CC#N)C(=O)C[C@H]1CSCCN1C(=O)[O-]	ZINC000826992775	614923208	/nfs/dbraw/zinc/92/32/08/614923208.db2.gz	UIIFJNLUQBVIBM-VIFPVBQESA-N	-1	0	271.342	0.844	20	30		CCEDRM
CCCS(=O)(=O)CC(=O)[N-]Oc1cccc(C#N)c1	ZINC000870692592	614958357	/nfs/dbraw/zinc/95/83/57/614958357.db2.gz	HHETYABDBWEBKH-UHFFFAOYSA-N	-1	0	282.321	0.793	20	30		CCEDRM
CC1CC(C#N)(C(=O)NCC2(C(=O)[O-])CCOCC2)C1	ZINC000833590334	615011188	/nfs/dbraw/zinc/01/11/88/615011188.db2.gz	APQSMELJSXHZEF-UHFFFAOYSA-N	-1	0	280.324	0.924	20	30		CCEDRM
CCC[C@@](C)(O)CNC(=O)[C@](C)(C#N)CC(=O)[O-]	ZINC000820303791	615030564	/nfs/dbraw/zinc/03/05/64/615030564.db2.gz	KOCRNGJSNRAMSV-NWDGAFQWSA-N	-1	0	256.302	0.658	20	30		CCEDRM
CCN(C[C@H](C)C#N)C(=O)CN1CC[C@H](N(C)C(=O)[O-])C1	ZINC000827020550	615064584	/nfs/dbraw/zinc/06/45/84/615064584.db2.gz	WQHXFUSPQLRFNJ-NEPJUHHUSA-N	-1	0	296.371	0.679	20	30		CCEDRM
CCN(C[C@H]1CCOC1)C(=O)[C@](C)(C#N)CC(=O)[O-]	ZINC000820343949	615067402	/nfs/dbraw/zinc/06/74/02/615067402.db2.gz	DFPCPKFSUYNKLI-MFKMUULPSA-N	-1	0	268.313	0.876	20	30		CCEDRM
CCOC1(C(=O)[N-]S(=O)(=O)CCCC#N)CCC1	ZINC000850926271	615206543	/nfs/dbraw/zinc/20/65/43/615206543.db2.gz	JQYJEXORJZIDTN-UHFFFAOYSA-N	-1	0	274.342	0.695	20	30		CCEDRM
CCOCCC1(C(=O)[N-]S(=O)(=O)CCC#N)CCC1	ZINC000835410138	615237348	/nfs/dbraw/zinc/23/73/48/615237348.db2.gz	DSEVRXDTMCKJJG-UHFFFAOYSA-N	-1	0	288.369	0.943	20	30		CCEDRM
CCO[N-]C(=O)CNC(=O)C#Cc1ccc(CC)cc1	ZINC000846490714	615356257	/nfs/dbraw/zinc/35/62/57/615356257.db2.gz	JTIBGOPNPFPKBO-UHFFFAOYSA-N	-1	0	274.320	0.784	20	30		CCEDRM
CCO[N-]C(=O)CNC(=O)c1cc(C#N)ccc1F	ZINC000855023572	615370780	/nfs/dbraw/zinc/37/07/80/615370780.db2.gz	DIVSJUUTFSBQSF-UHFFFAOYSA-N	-1	0	265.244	0.495	20	30		CCEDRM
CCO[N-]C(=O)CNS(=O)(=O)CC1(C#N)CCCC1	ZINC000846003783	615375568	/nfs/dbraw/zinc/37/55/68/615375568.db2.gz	OCRZPSQFOXTJHP-UHFFFAOYSA-N	-1	0	289.357	0.057	20	30		CCEDRM
CC[C@@H](CC#N)NS(=O)(=O)N=S(C)(C)=O	ZINC000867108293	615470694	/nfs/dbraw/zinc/47/06/94/615470694.db2.gz	LVJDBEFOBCNAEI-ZETCQYMHSA-N	-1	0	253.349	0.241	20	30		CCEDRM
CC[C@@H](CCO)CNC(=O)[C@](C)(C#N)CC(=O)[O-]	ZINC000820278301	615471705	/nfs/dbraw/zinc/47/17/05/615471705.db2.gz	MBDVXYIKISIVGU-CABZTGNLSA-N	-1	0	256.302	0.516	20	30		CCEDRM
CC[C@@H](CNS(=O)(=O)CC1(CC#N)CC1)C(=O)[O-]	ZINC000844784996	615484480	/nfs/dbraw/zinc/48/44/80/615484480.db2.gz	LEHVOFZDGBVXHW-VIFPVBQESA-N	-1	0	274.342	0.710	20	30		CCEDRM
CC[C@@H](NN=C(C)C[C@H]1CCCC(=O)N1)C(=O)[O-]	ZINC000841641808	615536295	/nfs/dbraw/zinc/53/62/95/615536295.db2.gz	AEUROINCFMBQHG-NXEZZACHSA-N	-1	0	255.318	0.874	20	30		CCEDRM
CC[C@@H]1CN(C(=O)[C@@](C)(C#N)CC(=O)[O-])C[C@H]1O	ZINC000820297290	615560272	/nfs/dbraw/zinc/56/02/72/615560272.db2.gz	SCVFSLMODIJTEN-KBVBSXBZSA-N	-1	0	254.286	0.220	20	30		CCEDRM
CCn1nc(C)c(C(=O)[C@H](C#N)C(=O)Nc2ccccn2)n1	ZINC000815915418	615650581	/nfs/dbraw/zinc/65/05/81/615650581.db2.gz	OCZSPURSMCVVGB-JTQLQIEISA-N	-1	0	298.306	0.963	20	30		CCEDRM
CC[C@H](C)CO[N-]C(=O)C(=O)Nc1cccc(C#N)n1	ZINC000832446911	615662936	/nfs/dbraw/zinc/66/29/36/615662936.db2.gz	PZBDODXIZGLERQ-VIFPVBQESA-N	-1	0	276.296	0.986	20	30		CCEDRM
CCc1nc(C)c(CC(=O)N[C@H]2CCN(O)C2=O)c(C)n1	ZINC000820120188	615736013	/nfs/dbraw/zinc/73/60/13/615736013.db2.gz	LHPYPTZDPLWIRE-NSHDSACASA-N	-1	0	292.339	0.305	20	30		CCEDRM
CCC1N=NC(=S)N1N=Cc1cc(C(=O)[O-])nn1C	ZINC000901134504	615817891	/nfs/dbraw/zinc/81/78/91/615817891.db2.gz	XMDPMYOTWVWMQQ-UHFFFAOYSA-N	-1	0	280.313	0.443	20	30		CCEDRM
CN(C(=O)Nc1nn(C)cc1C#N)[C@@H]1CCN(C(=O)[O-])C1	ZINC000827816038	615842898	/nfs/dbraw/zinc/84/28/98/615842898.db2.gz	KGMOQQMQARLZCD-SECBINFHSA-N	-1	0	292.299	0.508	20	30		CCEDRM
CCc1oc(C=Nn2c(=O)[n-][nH]c2=O)cc1C(=O)OC	ZINC000814231358	615870862	/nfs/dbraw/zinc/87/08/62/615870862.db2.gz	UUMQTTFDCMBJJW-UHFFFAOYSA-N	-1	0	280.240	0.514	20	30		CCEDRM
CC[C@](C)(CC(=O)[O-])NS(=O)(=O)c1ccc(C#N)nc1	ZINC000828672885	615943920	/nfs/dbraw/zinc/94/39/20/615943920.db2.gz	XLJDQAGPZMLDRY-GFCCVEGCSA-N	-1	0	297.336	0.875	20	30		CCEDRM
CN(C)C(=O)C1CCN(C(=O)[C@@](C)(C#N)CC(=O)[O-])CC1	ZINC000820524408	615948057	/nfs/dbraw/zinc/94/80/57/615948057.db2.gz	WUGSBRVZRRRJCE-CQSZACIVSA-N	-1	0	295.339	0.318	20	30		CCEDRM
CN(C)C(=O)CN[C@H](C(=O)[O-])c1cccc(C#N)c1	ZINC000830551545	615971890	/nfs/dbraw/zinc/97/18/90/615971890.db2.gz	AIPKKIUGCQUUAH-LBPRGKRZSA-N	-1	0	261.281	0.362	20	30		CCEDRM
CCn1cc(NC(=O)[C@](C)(C#N)CC(=O)[O-])cn1	ZINC000820511431	616006849	/nfs/dbraw/zinc/00/68/49/616006849.db2.gz	LCLHOOPCZDYBSX-NSHDSACASA-N	-1	0	250.258	0.846	20	30		CCEDRM
CCn1ccc(C([O-])=C(C#N)C(=O)N2CCCC2)n1	ZINC000842680838	616025038	/nfs/dbraw/zinc/02/50/38/616025038.db2.gz	BGICYHQVUNZFII-SNVBAGLBSA-N	-1	0	260.297	0.848	20	30		CCEDRM
CN(CC(=O)N(CCC#N)CC(F)(F)F)C(=O)[O-]	ZINC000828089916	616042376	/nfs/dbraw/zinc/04/23/76/616042376.db2.gz	HWASLNJHQLUVHB-UHFFFAOYSA-N	-1	0	267.207	0.901	20	30		CCEDRM
CN(CC(C)(C)CNC(=O)[O-])C(=O)CSCC#N	ZINC000828137826	616051104	/nfs/dbraw/zinc/05/11/04/616051104.db2.gz	NSOKQSKTHXXAGU-UHFFFAOYSA-N	-1	0	273.358	0.995	20	30		CCEDRM
CN(CCC#N)S(=O)(=O)NC1(C(=O)[O-])CCCCC1	ZINC000818413272	616068035	/nfs/dbraw/zinc/06/80/35/616068035.db2.gz	IBQGHSZDLDYWLK-UHFFFAOYSA-N	-1	0	289.357	0.454	20	30		CCEDRM
CN(CCC(=O)[O-])C(=O)[C@@H](O)c1ccc(C#N)cc1	ZINC000820580102	616068992	/nfs/dbraw/zinc/06/89/92/616068992.db2.gz	TVFYQDZCLIHSOP-LBPRGKRZSA-N	-1	0	262.265	0.525	20	30		CCEDRM
CN(Cc1cc[nH]n1)C(=O)[C@@](C)(C#N)CC(=O)[O-]	ZINC000820602243	616165335	/nfs/dbraw/zinc/16/53/35/616165335.db2.gz	RARBKUNAGYHLSC-LLVKDONJSA-N	-1	0	250.258	0.373	20	30		CCEDRM
CN1C[C@@H](C(=O)Nc2cc(C#N)ccc2[O-])NC1=O	ZINC000831271063	616278909	/nfs/dbraw/zinc/27/89/09/616278909.db2.gz	CQHBRESWPPBAOS-VIFPVBQESA-N	-1	0	260.253	0.226	20	30		CCEDRM
COC(=O)/C(C)=C/Cn1cc(C(=O)[O-])cc(C#N)c1=O	ZINC000831052888	616293626	/nfs/dbraw/zinc/29/36/26/616293626.db2.gz	DUQVMYCIUKGKNT-FPYGCLRLSA-N	-1	0	276.248	0.537	20	30		CCEDRM
COC1(C(=O)[N-]S(=O)(=O)CC(C)(C)C#N)CC1	ZINC000842752098	616424141	/nfs/dbraw/zinc/42/41/41/616424141.db2.gz	GXOSIRPZWCDHQC-UHFFFAOYSA-N	-1	0	260.315	0.161	20	30		CCEDRM
CN1CCc2cc(C=Nn3c(=O)[n-][nH]c3=O)ccc21	ZINC000814233155	616461229	/nfs/dbraw/zinc/46/12/29/616461229.db2.gz	DBISDFYOPOMSFC-UHFFFAOYSA-N	-1	0	259.269	0.564	20	30		CCEDRM
COCCOC1CCN(C(=O)[C@@](C)(C#N)CC(=O)[O-])CC1	ZINC000820733135	616523693	/nfs/dbraw/zinc/52/36/93/616523693.db2.gz	QONTUBQDHDWNMA-CQSZACIVSA-N	-1	0	298.339	0.645	20	30		CCEDRM
COCCS(=O)(=O)[N-]C(=O)c1cccc(C#N)c1	ZINC000111992928	616610595	/nfs/dbraw/zinc/61/05/95/616610595.db2.gz	QZAXXGPXOWQALH-UHFFFAOYSA-N	-1	0	268.294	0.264	20	30		CCEDRM
COC(=O)[C@H]1CCN(CC2(C#N)CC2)[C@@H](C(=O)[O-])C1	ZINC000833706044	616664220	/nfs/dbraw/zinc/66/42/20/616664220.db2.gz	FGZSSHKXZPGWSP-VHSXEESVSA-N	-1	0	266.297	0.628	20	30		CCEDRM
CNC(=O)C(C#N)=C([O-])c1cc(OC)c(OC)c(OC)c1	ZINC000917002693	616776795	/nfs/dbraw/zinc/77/67/95/616776795.db2.gz	SDWNSBUFVHIUDC-VIFPVBQESA-N	-1	0	292.291	0.781	20	30		CCEDRM
CNC(=O)C(C#N)=C([O-])c1ccc(Cn2cncn2)cc1	ZINC000917002386	616776852	/nfs/dbraw/zinc/77/68/52/616776852.db2.gz	JBCXEBMFCNTLRB-LBPRGKRZSA-N	-1	0	283.291	0.395	20	30		CCEDRM
CNC(=O)C(C#N)=C([O-])c1cn2c(n1)C[C@H](C)CC2	ZINC000870154382	616777984	/nfs/dbraw/zinc/77/79/84/616777984.db2.gz	KKPXOXSMGNHBFN-BDAKNGLRSA-N	-1	0	260.297	0.534	20	30		CCEDRM
COC[C@](C)(C#N)NC(=O)[C@H]1CC12CCN(C(=O)[O-])CC2	ZINC000833881835	616817208	/nfs/dbraw/zinc/81/72/08/616817208.db2.gz	DNXICNBUHBBRAC-MFKMUULPSA-N	-1	0	295.339	0.811	20	30		CCEDRM
CNC(=O)C(C#N)=C([O-])c1ccc2c(c1)NC(=O)CS2	ZINC000917001887	616839273	/nfs/dbraw/zinc/83/92/73/616839273.db2.gz	GILFJQHDKSVUOB-MRVPVSSYSA-N	-1	0	289.316	0.799	20	30		CCEDRM
CO[C@@H]1C[C@H](NC(=O)[C@](C)(C#N)CC(=O)[O-])C1(C)C	ZINC000820702788	616871741	/nfs/dbraw/zinc/87/17/41/616871741.db2.gz	FVEKZQSJLGXUNR-RWEMILLDSA-N	-1	0	268.313	0.921	20	30		CCEDRM
COC(=O)c1ccc(CNC(=O)[C@](C)(C#N)CC(=O)[O-])o1	ZINC000820685297	616903310	/nfs/dbraw/zinc/90/33/10/616903310.db2.gz	NWHBYDMYDCGJAS-ZDUSSCGKSA-N	-1	0	294.263	0.687	20	30		CCEDRM
CNC(=S)NN=Cc1cc(-c2nn[nH]n2)cs1	ZINC000821636493	616931916	/nfs/dbraw/zinc/93/19/16/616931916.db2.gz	SFCCPPZRIIBPLU-UHFFFAOYSA-N	-1	0	267.343	0.356	20	30		CCEDRM
COCCN(C)c1ccc(C=Nn2c(=O)[n-][nH]c2=O)cn1	ZINC000814233932	616972550	/nfs/dbraw/zinc/97/25/50/616972550.db2.gz	MXSAQKWBYCUPLU-UHFFFAOYSA-N	-1	0	292.299	0.049	20	30		CCEDRM
COCCN(CCC#N)C(=O)[C@@H](C)CN(C)C(=O)[O-]	ZINC000828979638	616991777	/nfs/dbraw/zinc/99/17/77/616991777.db2.gz	KPAVDQNOJFEERW-JTQLQIEISA-N	-1	0	271.317	0.621	20	30		CCEDRM
COCCN(CCC#N)C(=O)[C@@H]1CC[C@H](NC(=O)[O-])C1	ZINC000828979588	616991865	/nfs/dbraw/zinc/99/18/65/616991865.db2.gz	INMVALMOGIEJDA-MNOVXSKESA-N	-1	0	283.328	0.811	20	30		CCEDRM
CO[C@H](C(=O)[O-])C(=O)N[C@@H]1Cc2ccc(C#N)cc2C1	ZINC000902545780	616994549	/nfs/dbraw/zinc/99/45/49/616994549.db2.gz	LLBMCZLBIVVSOI-NEPJUHHUSA-N	-1	0	274.276	0.241	20	30		CCEDRM
COCCN(CCC(=O)[O-])c1ccnc(C#N)n1	ZINC000900978978	616997233	/nfs/dbraw/zinc/99/72/33/616997233.db2.gz	VPGMIRHCAUBPIY-UHFFFAOYSA-N	-1	0	250.258	0.276	20	30		CCEDRM
COC[C@@](C)(CC(=O)[O-])NC(=O)c1c[nH]c(C#N)c1	ZINC000833720393	617012860	/nfs/dbraw/zinc/01/28/60/617012860.db2.gz	AFEHWMADFIZXAN-GFCCVEGCSA-N	-1	0	265.269	0.496	20	30		CCEDRM
COCCN(CCNC(=O)NC[C@@H](C)C#N)C(=O)[O-]	ZINC000833886683	617015992	/nfs/dbraw/zinc/01/59/92/617015992.db2.gz	VVFMUZJKGIXTOY-VIFPVBQESA-N	-1	0	272.305	0.072	20	30		CCEDRM
CO[C@H](C)CS(=O)(=O)[N-]C(=O)CCCCCC#N	ZINC000805930464	617076024	/nfs/dbraw/zinc/07/60/24/617076024.db2.gz	OVUIPFTZVZDRFL-SNVBAGLBSA-N	-1	0	276.358	0.941	20	30		CCEDRM
CO[C@H]1CC[C@@H](C(=O)[N-]S(=O)(=O)CC2(C#N)CC2)C1	ZINC000850940311	617101937	/nfs/dbraw/zinc/10/19/37/617101937.db2.gz	LFACZHWEMWYAAQ-ZJUUUORDSA-N	-1	0	286.353	0.551	20	30		CCEDRM
CO[C@H]1CC[C@H](C(=O)[N-]S(=O)(=O)CC(C)(C)C#N)C1	ZINC000850930145	617104553	/nfs/dbraw/zinc/10/45/53/617104553.db2.gz	QMBSCHDZPLQTBT-UWVGGRQHSA-N	-1	0	288.369	0.797	20	30		CCEDRM
CO[N-]C(=O)CNC(=O)C(C)(C)c1ccc(C#N)cc1	ZINC000832741134	617109678	/nfs/dbraw/zinc/10/96/78/617109678.db2.gz	LOITVOMCOWHMOD-UHFFFAOYSA-N	-1	0	275.308	0.630	20	30		CCEDRM
CO[N-]C(=O)CNC(=O)N(C)[C@@H](C)c1cccc(C#N)c1	ZINC000927218022	617111171	/nfs/dbraw/zinc/11/11/71/617111171.db2.gz	LHOONKIRJHZMPW-JTQLQIEISA-N	-1	0	290.323	0.938	20	30		CCEDRM
CO[N-]C(=O)CNC(=O)N1Cc2cccc(C#N)c2C1	ZINC000927217756	617112124	/nfs/dbraw/zinc/11/21/24/617112124.db2.gz	HKPLBOFKMGDKKH-UHFFFAOYSA-N	-1	0	274.280	0.261	20	30		CCEDRM
CO[C@@H](C(=O)[N-]S(=O)(=O)CC(C)(C)C#N)C1CCC1	ZINC000850930835	617126505	/nfs/dbraw/zinc/12/65/05/617126505.db2.gz	XSMKUIJXGBRBKY-SNVBAGLBSA-N	-1	0	288.369	0.797	20	30		CCEDRM
CO[C@@H](C)CCC(=O)[N-]S(=O)(=O)CCCC#N	ZINC000183372017	625398974	/nfs/dbraw/zinc/39/89/74/625398974.db2.gz	DNCGKNYNWDHSSB-VIFPVBQESA-N	-1	0	262.331	0.551	20	30		CCEDRM
C[C@@H](C#N)NC(=O)Cn1c(=O)c2ccccc2[n-]c1=S	ZINC000194725208	625597199	/nfs/dbraw/zinc/59/71/99/625597199.db2.gz	GJGBXJBKXNUNJD-QMMMGPOBSA-N	-1	0	288.332	0.713	20	30		CCEDRM
C#CCSCCNC(=O)N[C@@H](CCC)C(=O)[O-]	ZINC000227420395	622966197	/nfs/dbraw/zinc/96/61/97/622966197.db2.gz	ITNSINKTMQDABJ-VIFPVBQESA-N	-1	0	258.343	0.905	20	30		CCEDRM
N#Cc1cccc(CS(=O)(=O)NC/C=C\C(=O)[O-])c1	ZINC000311852342	623806962	/nfs/dbraw/zinc/80/69/62/623806962.db2.gz	PCIILCQIWMOPNG-DJWKRKHSSA-N	-1	0	280.305	0.618	20	30		CCEDRM
COC(=O)COc1cccc(C(=O)[N-]S(C)(=O)=O)c1	ZINC000048761583	624787087	/nfs/dbraw/zinc/78/70/87/624787087.db2.gz	CQJZXXWQUNIWBA-UHFFFAOYSA-N	-1	0	287.293	0.503	20	30		CCEDRM
CC(=O)N[C@@H](C(=O)[N-]S(=O)(=O)C(C)C)C(C)C	ZINC000049417669	624792210	/nfs/dbraw/zinc/79/22/10/624792210.db2.gz	FBOUIFYXQGSSHE-SECBINFHSA-N	-1	0	264.347	0.842	20	30		CCEDRM
CCOCCC(=O)[N-]S(=O)(=O)N1CCCC1	ZINC000083765605	624807002	/nfs/dbraw/zinc/80/70/02/624807002.db2.gz	GJRBMBXFFQIMTG-UHFFFAOYSA-N	-1	0	250.320	0.710	20	30		CCEDRM
C=CCN(CC=C)C(=O)c1cn(CC(=O)[O-])nn1	ZINC000090717864	624830409	/nfs/dbraw/zinc/83/04/09/624830409.db2.gz	XTMMYDWJRYRFCK-UHFFFAOYSA-N	-1	0	250.258	0.177	20	30		CCEDRM
C#CCN(CC(=O)[O-])S(=O)(=O)c1cccc(C)c1F	ZINC000313214580	625757553	/nfs/dbraw/zinc/75/75/53/625757553.db2.gz	ZVQLDXMNQYVVPF-UHFFFAOYSA-N	-1	0	285.296	0.843	20	30		CCEDRM
CC(C)OCCCNC(=O)C(C#N)=C([O-])c1cnn(C)c1	ZINC000125485692	625884213	/nfs/dbraw/zinc/88/42/13/625884213.db2.gz	CCKMJEUNTNESSW-GFCCVEGCSA-N	-1	0	292.339	0.674	20	30		CCEDRM
CC#CC[C@H](NS(=O)(=O)CC1(F)CC1)C(=O)[O-]	ZINC000903835162	634663404	/nfs/dbraw/zinc/66/34/04/634663404.db2.gz	ZCLVQCBHIFFAFW-QMMMGPOBSA-N	-1	0	263.290	0.275	20	30		CCEDRM
N#Cc1ccc(F)c(CNC(=O)[C@@H]2CC[C@H](C(=O)[O-])O2)c1	ZINC000905129917	634804736	/nfs/dbraw/zinc/80/47/36/634804736.db2.gz	ZTKMGEVJKQINLX-NWDGAFQWSA-N	-1	0	292.266	0.946	20	30		CCEDRM
C[C@H](C(=O)[O-])N(C)S(=O)(=O)Cc1ccccc1C#N	ZINC000054053328	631253371	/nfs/dbraw/zinc/25/33/71/631253371.db2.gz	NLZDGMVVFVMLTK-SECBINFHSA-N	-1	0	282.321	0.793	20	30		CCEDRM
CS(=O)(=O)[N-]C(=O)CCNC(=O)C=Cc1ccco1	ZINC000048486934	631723113	/nfs/dbraw/zinc/72/31/13/631723113.db2.gz	IKUFJCCCKCNJLZ-SNAWJCMRSA-N	-1	0	286.309	0.715	20	30		CCEDRM
C=CCCCNS(=O)(=O)c1c[nH]c(C(=O)[O-])c1	ZINC000303983827	632493016	/nfs/dbraw/zinc/49/30/16/632493016.db2.gz	CANZQAZXIKEKHM-UHFFFAOYSA-N	-1	0	258.299	0.957	20	30		CCEDRM
C=CC(C)(C)C(=O)N1CC(NC(=O)c2[nH]nc(C)c2[O-])C1	ZINC000990854103	634055862	/nfs/dbraw/zinc/05/58/62/634055862.db2.gz	LDJQILYYIRYTRH-UHFFFAOYSA-N	-1	0	292.339	0.577	20	30		CCEDRM
Cn1ncc(C#N)c1N1C[C@@H](C(=O)[O-])[C@H](C2CC2)C1	ZINC000900987089	634137844	/nfs/dbraw/zinc/13/78/44/634137844.db2.gz	KXHBGQXMHOCHGE-WDEREUQCSA-N	-1	0	260.297	0.839	20	30		CCEDRM
C[C@@H](CO)NN=Cc1ncc(Br)cc1O	ZINC000901194643	634205190	/nfs/dbraw/zinc/20/51/90/634205190.db2.gz	NGTLWGNKGUXBDS-LURJTMIESA-N	-1	0	274.118	0.854	20	30		CCEDRM
Cn1nc(C(=O)[O-])cc1C=NNC1CCOCC1	ZINC000901197620	634206145	/nfs/dbraw/zinc/20/61/45/634206145.db2.gz	CYUVERSHEBPUAV-UHFFFAOYSA-N	-1	0	252.274	0.221	20	30		CCEDRM
Cn1cc(C(=O)[O-])cc1C=NN1CCCNC1=O	ZINC000901215044	634209733	/nfs/dbraw/zinc/20/97/33/634209733.db2.gz	HTIYEQXQWFQJTK-UHFFFAOYSA-N	-1	0	250.258	0.473	20	30		CCEDRM
Cn1ncc(C(=O)[O-])c1/C=C1/S/C(=N/C2CC2)NC1=O	ZINC000901540422	634257799	/nfs/dbraw/zinc/25/77/99/634257799.db2.gz	VKBYANSQBZLMEL-RUDMXATFSA-N	-1	0	292.320	0.841	20	30		CCEDRM
N#CC[C@@H]([N-]S(=O)(=O)C[C@@H]1CCCO1)C(F)(F)F	ZINC000901771963	634275825	/nfs/dbraw/zinc/27/58/25/634275825.db2.gz	IPZMEHHYMMCEDJ-JGVFFNPUSA-N	-1	0	286.275	0.929	20	30		CCEDRM
N#CC1CN(S(=O)(=O)c2csc(C(=O)[O-])c2)C1	ZINC000906999563	635060665	/nfs/dbraw/zinc/06/06/65/635060665.db2.gz	VHJXJQGUTKFDAJ-UHFFFAOYSA-N	-1	0	272.307	0.590	20	30		CCEDRM
O=C([O-])C1CCC(CC(=O)NCC#CCO)CC1	ZINC000911402206	636254993	/nfs/dbraw/zinc/25/49/93/636254993.db2.gz	UGDNLYTWMDGAJV-UHFFFAOYSA-N	-1	0	253.298	0.379	20	30		CCEDRM
C=CCN(CC(=O)[O-])C(=O)[C@H]1CCCCS1(=O)=O	ZINC000167964352	636985972	/nfs/dbraw/zinc/98/59/72/636985972.db2.gz	OEWLSHGSPUHVSB-SECBINFHSA-N	-1	0	275.326	0.053	20	30		CCEDRM
C#CCSCCNC(=O)N(C)C(C)(C)C(=O)[O-]	ZINC000231960459	637237229	/nfs/dbraw/zinc/23/72/29/637237229.db2.gz	HRBADDNUPWMLNP-UHFFFAOYSA-N	-1	0	258.343	0.857	20	30		CCEDRM
Cn1cc([N+](=O)[O-])cc1C([O-])=C(C#N)C(=O)N1CCCC1	ZINC000916871962	637930035	/nfs/dbraw/zinc/93/00/35/637930035.db2.gz	WQGUVTAVJQLLMP-JTQLQIEISA-N	-1	0	290.279	0.878	20	30		CCEDRM
O=C1[N-]C(=O)C(=NNc2cc(Cl)ccc2F)C(=O)N1	ZINC000921205339	638162686	/nfs/dbraw/zinc/16/26/86/638162686.db2.gz	QQMDABHMZLCSPU-UHFFFAOYSA-N	-1	0	284.634	0.613	20	30		CCEDRM
Cc1nc(CC(=O)[N-]S(=O)(=O)CCCC#N)cs1	ZINC000181260651	638326663	/nfs/dbraw/zinc/32/66/63/638326663.db2.gz	PHXSPWVICPRFCS-UHFFFAOYSA-N	-1	0	287.366	0.744	20	30		CCEDRM
N#CCCCS(=O)(=O)[N-]C(=O)c1cccc([N+](=O)[O-])c1	ZINC000181298423	638335040	/nfs/dbraw/zinc/33/50/40/638335040.db2.gz	VMGKNNWXSKDYMY-UHFFFAOYSA-N	-1	0	297.292	0.958	20	30		CCEDRM
Cn1cc(S(=O)(=O)[N-]C(=O)c2cccn2C)cn1	ZINC000069642319	638398458	/nfs/dbraw/zinc/39/84/58/638398458.db2.gz	KKQSIZGTRBNIPP-UHFFFAOYSA-N	-1	0	268.298	0.452	20	30		CCEDRM
COCCCNC(=O)C(C#N)=C([O-])c1ccco1	ZINC000124944529	639778426	/nfs/dbraw/zinc/77/84/26/639778426.db2.gz	OZXKZFSPTQHKKA-VIFPVBQESA-N	-1	0	250.254	0.755	20	30		CCEDRM
COC[C@@H](C)S(=O)(=O)[N-]C(=O)c1cccn1C	ZINC000073839133	639836529	/nfs/dbraw/zinc/83/65/29/639836529.db2.gz	MMFICXZJEJLSNG-MRVPVSSYSA-N	-1	0	260.315	0.694	20	30		CCEDRM
Cc1c(C(=O)[N-]S(=O)(=O)CC(C)(C)C#N)ccn1C	ZINC000798849291	640531792	/nfs/dbraw/zinc/53/17/92/640531792.db2.gz	ZEMTXSYODLUSOD-UHFFFAOYSA-N	-1	0	283.353	0.943	20	30		CCEDRM
Cc1ccc(C(=O)NCCc2nc(=O)o[n-]2)cc1C#N	ZINC000799730979	640592942	/nfs/dbraw/zinc/59/29/42/640592942.db2.gz	IXQCQRSBNSJGOC-UHFFFAOYSA-N	-1	0	272.264	0.516	20	30		CCEDRM
N#CCCCS(=O)(=O)[N-]C(=O)COc1ccsc1	ZINC000800403050	640611606	/nfs/dbraw/zinc/61/16/06/640611606.db2.gz	FOUPYTQHPMVSIO-UHFFFAOYSA-N	-1	0	288.350	0.877	20	30		CCEDRM
N#CCCCS(=O)(=O)[N-]C(=O)[C@H]1C[C@@H]1C(F)F	ZINC000802126749	640687461	/nfs/dbraw/zinc/68/74/61/640687461.db2.gz	POESZOYUACMJQE-BQBZGAKWSA-N	-1	0	266.269	0.637	20	30		CCEDRM
O=C([O-])COc1ccccc1CN=Nc1nc[nH]n1	ZINC000807998635	640844869	/nfs/dbraw/zinc/84/48/69/640844869.db2.gz	NHZSKSTTYXYBSK-UHFFFAOYSA-N	-1	0	261.241	0.714	20	30		CCEDRM
O=C1Nc2ccc([N+](=O)[O-])cc2C1=N[N-]c1nc[nH]n1	ZINC000807997502	640844908	/nfs/dbraw/zinc/84/49/08/640844908.db2.gz	NTODKVQAVLSKGZ-UHFFFAOYSA-N	-1	0	273.212	0.481	20	30		CCEDRM
C#CCCCC(=O)[N-]S(=O)(=O)c1cncc(C#N)c1	ZINC000813979589	641051652	/nfs/dbraw/zinc/05/16/52/641051652.db2.gz	UNHBKHDWCBWGID-UHFFFAOYSA-N	-1	0	277.305	0.562	20	30		CCEDRM
Cn1c2ccc(C=Nn3c(=O)[n-][nH]c3=O)cc2oc1=O	ZINC000814231543	641061397	/nfs/dbraw/zinc/06/13/97/641061397.db2.gz	IFMSRKONUPCYNF-UHFFFAOYSA-N	-1	0	275.224	0.016	20	30		CCEDRM
Cc1nn(C)c2ncc(C=Nn3c(=O)[n-][nH]c3=O)cc12	ZINC000814233048	641062349	/nfs/dbraw/zinc/06/23/49/641062349.db2.gz	YPEGUTSQDSMENQ-UHFFFAOYSA-N	-1	0	273.256	0.162	20	30		CCEDRM
N#Cc1cscc1C(=O)OCc1n[nH]c(=O)[n-]1	ZINC000814612238	641071817	/nfs/dbraw/zinc/07/18/17/641071817.db2.gz	HTBUXUNBJORFDH-UHFFFAOYSA-N	-1	0	250.239	0.800	20	30		CCEDRM
Cc1nnc(NN=C2CCCc3nc(N)ncc32)[n-]c1=O	ZINC000814734426	641075723	/nfs/dbraw/zinc/07/57/23/641075723.db2.gz	CAFUBHNUBSVZMU-UHFFFAOYSA-N	-1	0	286.299	0.410	20	30		CCEDRM
C[C@H]1C(=NNCCS(C)(=O)=O)CC[C@H]1CC(=O)[O-]	ZINC000814849525	641078239	/nfs/dbraw/zinc/07/82/39/641078239.db2.gz	ZDPXNNJAIYWILH-BDAKNGLRSA-N	-1	0	276.358	0.497	20	30		CCEDRM
O=C([O-])c1cccc(C=NN2C(=O)CNC2=O)c1Cl	ZINC000814892512	641080437	/nfs/dbraw/zinc/08/04/37/641080437.db2.gz	HGRXYXPWVBOLHK-UHFFFAOYSA-N	-1	0	281.655	0.924	20	30		CCEDRM
O=C([O-])CNN=Cc1ccc(-n2cncn2)c(F)c1	ZINC000814959722	641084777	/nfs/dbraw/zinc/08/47/77/641084777.db2.gz	AMJZJSJNVFAKSS-UHFFFAOYSA-N	-1	0	263.232	0.415	20	30		CCEDRM
N#CC1(CC(=O)[N-]S(=O)(=O)CC2CCC2)CC1	ZINC000815994208	641135516	/nfs/dbraw/zinc/13/55/16/641135516.db2.gz	RQFFPSAHLPYSGS-UHFFFAOYSA-N	-1	0	256.327	0.926	20	30		CCEDRM
O=C(N[C@H]1CCN(O)C1=O)C1SCCCS1	ZINC000820131770	641464246	/nfs/dbraw/zinc/46/42/46/641464246.db2.gz	LJFVTAOMRDEGSQ-LURJTMIESA-N	-1	0	262.356	0.289	20	30		CCEDRM
C[C@@H](CC(=O)[N-]S(=O)(=O)CCC#N)n1cccn1	ZINC000821047843	641558334	/nfs/dbraw/zinc/55/83/34/641558334.db2.gz	WVWCJOPFTPHHIY-VIFPVBQESA-N	-1	0	270.314	0.194	20	30		CCEDRM
Cn1cc(C(=O)[N-]S(=O)(=O)CCC#N)c(C(C)(C)C)n1	ZINC000821583769	641611184	/nfs/dbraw/zinc/61/11/84/641611184.db2.gz	HFJKAIOUYUPHSO-UHFFFAOYSA-N	-1	0	298.368	0.691	20	30		CCEDRM
Cc1ccc(CC(=O)[N-]S(=O)(=O)CCC#N)s1	ZINC000821582820	641611535	/nfs/dbraw/zinc/61/15/35/641611535.db2.gz	YMSZMBQYEYOLHC-UHFFFAOYSA-N	-1	0	272.351	0.959	20	30		CCEDRM
Cc1c(C(=O)[N-]S(=O)(=O)CCC#N)cnn1CC(C)C	ZINC000821584328	641611754	/nfs/dbraw/zinc/61/17/54/641611754.db2.gz	YSWOSRQUNXPBHL-UHFFFAOYSA-N	-1	0	298.368	0.821	20	30		CCEDRM
C[C@@H](CC#N)N(C)C(=O)CN1CCC(NC(=O)[O-])CC1	ZINC000824543646	641830904	/nfs/dbraw/zinc/83/09/04/641830904.db2.gz	KBNJRMCMHIEGNX-JTQLQIEISA-N	-1	0	282.344	0.479	20	30		CCEDRM
Cc1n[nH]c(C(=O)N[C@@H]2CC23CCN(CC#N)CC3)c1[O-]	ZINC001016577770	650745601	/nfs/dbraw/zinc/74/56/01/650745601.db2.gz	ZQHBSHGUGNTOKF-SNVBAGLBSA-N	-1	0	289.339	0.532	20	30		CCEDRM
C[C@H](CO)NN=C1CCC[C@@H]1[C@@H]1COCCN1C(=O)[O-]	ZINC000833810055	642543067	/nfs/dbraw/zinc/54/30/67/642543067.db2.gz	UUPLFFDCIJISAD-SCVCMEIPSA-N	-1	0	285.344	0.492	20	30		CCEDRM
Cc1ccn2ncc(C(=O)[N-]S(=O)(=O)CCC#N)c2c1	ZINC000835410663	642660538	/nfs/dbraw/zinc/66/05/38/642660538.db2.gz	YATAXTWKWUWUDP-UHFFFAOYSA-N	-1	0	292.320	0.616	20	30		CCEDRM
C[C@H](O)CN(C)N=Cc1cc([N+](=O)[O-])ccc1[O-]	ZINC000841651565	642827064	/nfs/dbraw/zinc/82/70/64/642827064.db2.gz	HILCWSGSRGXMFC-QMMMGPOBSA-N	-1	0	253.258	0.947	20	30		CCEDRM
N#Cc1c[n-]c(=O)n(CC(F)(F)C(F)F)c1=O	ZINC000842614882	642918327	/nfs/dbraw/zinc/91/83/27/642918327.db2.gz	LOSNCOXZJJDUIA-UHFFFAOYSA-N	-1	0	251.139	0.309	20	30		CCEDRM
O=C(C#CC1CC1)N1CCC[C@@H](c2n[nH]c(=O)[n-]2)C1	ZINC000843879320	643123412	/nfs/dbraw/zinc/12/34/12/643123412.db2.gz	XJKBIDTZTBNYCL-SNVBAGLBSA-N	-1	0	260.297	0.630	20	30		CCEDRM
C#CC[C@H]1CCCN(C(=O)c2n[nH]c(=O)[n-]c2=O)C1	ZINC000843998936	643139901	/nfs/dbraw/zinc/13/99/01/643139901.db2.gz	JPTFUJYLMUKEEA-QMMMGPOBSA-N	-1	0	262.269	0.158	20	30		CCEDRM
C[C@@H](CCNS(=O)(=O)CC1(CC#N)CC1)C(=O)[O-]	ZINC000844784543	643248497	/nfs/dbraw/zinc/24/84/97/643248497.db2.gz	GCBSOSZCEHOKCW-VIFPVBQESA-N	-1	0	274.342	0.710	20	30		CCEDRM
N#CCCS(=O)(=O)[N-]C(=O)[C@@H]1C[C@H]1C1CCC1	ZINC000845559497	643328494	/nfs/dbraw/zinc/32/84/94/643328494.db2.gz	DQSCTNIMLQRBPW-VHSXEESVSA-N	-1	0	256.327	0.782	20	30		CCEDRM
N#Cc1ccc(C2(NC(=O)c3cc(=O)[nH][n-]3)CCC2)cc1	ZINC000848317517	643622590	/nfs/dbraw/zinc/62/25/90/643622590.db2.gz	WZEPWOKFGSQFGT-UHFFFAOYSA-N	-1	0	282.303	0.930	20	30		CCEDRM
Cn1ncc(C(=O)[O-])c1C=NOC[C@@H]1CCOC1	ZINC000848409269	643633061	/nfs/dbraw/zinc/63/30/61/643633061.db2.gz	RKQPHRJZUQXFFG-MRVPVSSYSA-N	-1	0	253.258	0.505	20	30		CCEDRM
N#CC1(CC(=O)[N-]S(=O)(=O)CC2CC2)CCOCC1	ZINC000850839680	643817390	/nfs/dbraw/zinc/81/73/90/643817390.db2.gz	VJQOVGMUSGBZEA-UHFFFAOYSA-N	-1	0	286.353	0.553	20	30		CCEDRM
C[C@@H](CC#N)C(=O)[N-]S(=O)(=O)c1cnn(CC2CC2)c1	ZINC000850971922	643825248	/nfs/dbraw/zinc/82/52/48/643825248.db2.gz	DVBVBOHPCWVCKB-VIFPVBQESA-N	-1	0	296.352	0.648	20	30		CCEDRM
C[C@@H]1Cc2cc(C(=O)[N-]S(=O)(=O)CCC#N)ccc2O1	ZINC000851016391	643826306	/nfs/dbraw/zinc/82/63/06/643826306.db2.gz	SXCIGMCVZWRCLJ-SECBINFHSA-N	-1	0	294.332	0.983	20	30		CCEDRM
C[C@H]1CN=C(NN=C2C(=O)Nc3cc([O-])c(Cl)cc32)N1	ZINC000853330213	644098990	/nfs/dbraw/zinc/09/89/90/644098990.db2.gz	KOMIGNLNPGGUMB-YFKPBYRVSA-N	-1	0	293.714	0.639	20	30		CCEDRM
C#C[C@@](C)(CC)NC(=O)c1c[n-]n2c1nccc2=O	ZINC000854704009	644252563	/nfs/dbraw/zinc/25/25/63/644252563.db2.gz	JCSXBUIFNPLMAB-ZDUSSCGKSA-N	-1	0	258.281	0.554	20	30		CCEDRM
N#Cc1ccc(CC(=O)NOCCN2CCCC2=O)cc1	ZINC000856038739	644382438	/nfs/dbraw/zinc/38/24/38/644382438.db2.gz	HRROBBTUBHIVSP-UHFFFAOYSA-N	-1	0	287.319	0.771	20	30		CCEDRM
N#Cc1nc(NC(=O)[C@@H]2CCc3nc[nH]c3C2)[n-]c1C#N	ZINC000856920271	644443054	/nfs/dbraw/zinc/44/30/54/644443054.db2.gz	RYDRJDSZANVBFR-SSDOTTSWSA-N	-1	0	281.279	0.620	20	30		CCEDRM
N#CC(C(=O)NC1CC1)=C([O-])c1cccc(-n2cncn2)c1	ZINC000115904501	644594967	/nfs/dbraw/zinc/59/49/67/644594967.db2.gz	CXXIZMCDTSTHQT-CYBMUJFWSA-N	-1	0	295.302	0.868	20	30		CCEDRM
C[C@H](C#N)OC(=O)c1ccc([N-]S(C)(=O)=O)nc1	ZINC000859921748	644745409	/nfs/dbraw/zinc/74/54/09/644745409.db2.gz	DOAOTQSNXUAALB-SSDOTTSWSA-N	-1	0	269.282	0.522	20	30		CCEDRM
N#Cc1ccc(CC(=O)[N-]S(=O)(=O)CC2CC2)cn1	ZINC000860543743	644808830	/nfs/dbraw/zinc/80/88/30/644808830.db2.gz	CFRJVNOGWJYDCT-UHFFFAOYSA-N	-1	0	279.321	0.352	20	30		CCEDRM
N#CCCS(=O)(=O)[N-]C(=O)c1cnn(C2CC2)c1	ZINC000860753339	644826130	/nfs/dbraw/zinc/82/61/30/644826130.db2.gz	WDDHRCWULBQHMQ-UHFFFAOYSA-N	-1	0	268.298	0.191	20	30		CCEDRM
C[C@@H](CC(=O)[N-]S(=O)(=O)CCC#N)c1ccncc1	ZINC000860751258	644826822	/nfs/dbraw/zinc/82/68/22/644826822.db2.gz	AGVIYWMGESHBED-JTQLQIEISA-N	-1	0	281.337	0.935	20	30		CCEDRM
O=C([O-])c1ccccc1C=NN[C@H]1CCCS(=O)(=O)C1	ZINC000863127864	645061626	/nfs/dbraw/zinc/06/16/26/645061626.db2.gz	AABVMWRSRCBJRB-NSHDSACASA-N	-1	0	296.348	0.886	20	30		CCEDRM
O=C(N[C@@H]1CCCN(O)C1=O)c1[nH]ncc1C(F)(F)F	ZINC000868562520	645786916	/nfs/dbraw/zinc/78/69/16/645786916.db2.gz	GTGXAZGIDOKWNI-ZCFIWIBFSA-N	-1	0	292.217	0.539	20	30		CCEDRM
O=C(N[C@H]1CCCN(O)C1=O)c1ncc2n1CCCC2	ZINC000868562506	645787167	/nfs/dbraw/zinc/78/71/67/645787167.db2.gz	GKCCIQRFDDJBHH-JTQLQIEISA-N	-1	0	278.312	0.329	20	30		CCEDRM
C[C@@H]1C[C@H](C(=O)[N-]S(=O)(=O)CC(C)(C)C#N)[C@H](C)O1	ZINC000870270142	645977096	/nfs/dbraw/zinc/97/70/96/645977096.db2.gz	ASSZTPOSURUAGR-UTLUCORTSA-N	-1	0	288.369	0.796	20	30		CCEDRM
N#C[C@@H]1CN(C(=O)c2cccc(F)c2[O-])CCO1	ZINC000932148910	649053468	/nfs/dbraw/zinc/05/34/68/649053468.db2.gz	KRVOVYJBHVOQFY-MRVPVSSYSA-N	-1	0	250.229	0.896	20	30		CCEDRM
C=CCN(CC(=O)[O-])C(=O)c1c([N+](=O)[O-])cnn1C	ZINC000191264923	649470776	/nfs/dbraw/zinc/47/07/76/649470776.db2.gz	UTAWHBOVWQLQBD-UHFFFAOYSA-N	-1	0	268.229	0.041	20	30		CCEDRM
COCCNC(=O)C(C#N)=C([O-])c1cccc(F)c1	ZINC000193411977	649537319	/nfs/dbraw/zinc/53/73/19/649537319.db2.gz	JAMZWMDVEVJZHA-NSHDSACASA-N	-1	0	264.256	0.911	20	30		CCEDRM
C=CCN(CC(=O)[O-])C(=O)c1cccnc1OC	ZINC000092461840	649723918	/nfs/dbraw/zinc/72/39/18/649723918.db2.gz	VLXQJLNLNOKQNU-UHFFFAOYSA-N	-1	0	250.254	0.803	20	30		CCEDRM
C=CCN(CC(=O)[O-])C(=O)Cn1nc(C)cc1C	ZINC000092463645	649724254	/nfs/dbraw/zinc/72/42/54/649724254.db2.gz	HTNOCZQYTSWZEJ-UHFFFAOYSA-N	-1	0	251.286	0.599	20	30		CCEDRM
COCc1ccc(C(=O)[N-]S(=O)(=O)c2cnn(C)c2)o1	ZINC000097465464	649837161	/nfs/dbraw/zinc/83/71/61/649837161.db2.gz	FTCRJJHESYEIPW-UHFFFAOYSA-N	-1	0	299.308	0.853	20	30		CCEDRM
Cn1c([O-])c(C(=O)/C=C\c2cccs2)c(=O)n(C)c1=O	ZINC000097492240	649837555	/nfs/dbraw/zinc/83/75/55/649837555.db2.gz	ZKNBABGDVNXXMM-WAYWQWQTSA-N	-1	0	292.316	0.747	20	30		CCEDRM
C=CCCCC(=O)N1CCS(=O)(=O)C[C@@H]1C(=O)[O-]	ZINC001588458875	958466766	/nfs/dbraw/zinc/46/67/66/958466766.db2.gz	WKQGNZKBUSZQPH-SECBINFHSA-N	-1	0	275.326	0.053	20	30		CCEDRM
C#CC[C@@H](NC(=O)c1cc(Br)c[nH]1)C(=O)[O-]	ZINC000127382006	958610965	/nfs/dbraw/zinc/61/09/65/958610965.db2.gz	ZHXCBWXSXVDDQN-SSDOTTSWSA-N	-1	0	285.097	0.984	20	30		CCEDRM
C#C[C@@H](Oc1ncc(C(=O)OC)[n-]1)C(=O)OCC	ZINC001230282259	805590834	/nfs/dbraw/zinc/59/08/34/805590834.db2.gz	SSPROZNDWDXTGN-MRVPVSSYSA-N	-1	0	252.226	0.140	20	30		CCEDRM
C#C[C@@H](C)NC(=O)N1CC[C@@](COC)(C(=O)[O-])C1	ZINC000394101110	968212911	/nfs/dbraw/zinc/21/29/11/968212911.db2.gz	USFIPHQCXFQSAQ-BXKDBHETSA-N	-1	0	254.286	0.141	20	30		CCEDRM
C#CCN1CC[NH+](Cc2ccc(C(=O)[O-])cc2O)CC1	ZINC001231454665	805805514	/nfs/dbraw/zinc/80/55/14/805805514.db2.gz	HSXMFFCIGGHYFL-UHFFFAOYSA-N	-1	0	274.320	0.841	20	30		CCEDRM
COC(=O)[C@H]1CN(C)CCN1Cc1ccc(C#N)cc1O	ZINC001233387495	806052482	/nfs/dbraw/zinc/05/24/82/806052482.db2.gz	LHPAGBODMFDAGX-CYBMUJFWSA-N	-1	0	289.335	0.553	20	30		CCEDRM
C=C[C@@H](CCCCCC)Oc1c([O-])c(=O)c(=O)c(=O)c1=O	ZINC001234378974	806235685	/nfs/dbraw/zinc/23/56/85/806235685.db2.gz	POLFUHPKDDVKPC-VIFPVBQESA-N	-1	0	294.303	0.612	20	30		CCEDRM
N#Cc1ccc2nc(=O)[n-]c(O[C@@H]3CCOC3=O)c2c1	ZINC001234515938	806265448	/nfs/dbraw/zinc/26/54/48/806265448.db2.gz	NSPUXCKVTIFUSN-SNVBAGLBSA-N	-1	0	271.232	0.901	20	30		CCEDRM
CN1CCO[C@@H](COc2ccccc2C=N[O-])C1=O	ZINC001234820235	806305649	/nfs/dbraw/zinc/30/56/49/806305649.db2.gz	SMJQYNJWPAFPEQ-LBPRGKRZSA-N	-1	0	264.281	0.731	20	30		CCEDRM
C#CCCCNC(=O)N[C@H]1CCCCN(CC(=O)[O-])C1=O	ZINC001121901754	799088373	/nfs/dbraw/zinc/08/83/73/799088373.db2.gz	UBZPBUQICRWJQT-NSHDSACASA-N	-1	0	295.339	0.165	20	30		CCEDRM
COCCNC(=O)C(C#N)=C([O-])c1cncc(Cl)c1	ZINC001122449172	799237386	/nfs/dbraw/zinc/23/73/86/799237386.db2.gz	QQIIJNVRJWVFTI-JTQLQIEISA-N	-1	0	281.699	0.820	20	30		CCEDRM
COCc1nocc1C([O-])=C(C#N)C(=O)c1nccn1C	ZINC001122653734	799280990	/nfs/dbraw/zinc/28/09/90/799280990.db2.gz	TXEIUCBPFDRQLT-QMMMGPOBSA-N	-1	0	288.263	0.760	20	30		CCEDRM
Cn1ccnc1C([O-])=C(C#N)C(=O)[C@@H]1CC1(F)F	ZINC001122812895	799298164	/nfs/dbraw/zinc/29/81/64/799298164.db2.gz	DYQSPNTZEFHNFC-BQBZGAKWSA-N	-1	0	253.208	0.967	20	30		CCEDRM
N#Cc1cc(NC(=O)CCC(N)=O)c([O-])cc1F	ZINC001142953963	800179754	/nfs/dbraw/zinc/17/97/54/800179754.db2.gz	WPKHVGPPRJMQOK-UHFFFAOYSA-N	-1	0	251.217	0.607	20	30		CCEDRM
N#C[C@H](NC(=O)c1c[n-]n2c1nccc2=O)C1CCCC1	ZINC001153356929	800625978	/nfs/dbraw/zinc/62/59/78/800625978.db2.gz	IDRLLEKKQNHWGG-NSHDSACASA-N	-1	0	285.307	0.835	20	30		CCEDRM
COC(=O)c1cc(C#N)cnc1N[C@H]1SC(=O)[N-]C1=O	ZINC001155844617	801065998	/nfs/dbraw/zinc/06/59/98/801065998.db2.gz	QDLJCPCGTQNHRR-VIFPVBQESA-N	-1	0	292.276	0.461	20	30		CCEDRM
N#CCc1cnc(N[C@@H]2CO[N-]C2=O)c(Cl)c1	ZINC001156697713	801216097	/nfs/dbraw/zinc/21/60/97/801216097.db2.gz	XRTAZMPUSPRTIH-MRVPVSSYSA-N	-1	0	252.661	0.643	20	30		CCEDRM
COC(=O)n1ncc(C#N)c1[N-]c1ncc(C#N)c(OC)n1	ZINC001158964603	801729748	/nfs/dbraw/zinc/72/97/48/801729748.db2.gz	CHIPYJUWFHPZIU-UHFFFAOYSA-N	-1	0	299.250	0.783	20	30		CCEDRM
C=CCS(=O)(=O)N[C@H](C(=O)OC)c1ccccn1	ZINC001259933314	808808909	/nfs/dbraw/zinc/80/89/09/808808909.db2.gz	UOGDODBTPOYGKW-JTQLQIEISA-N	-1	0	270.310	0.401	20	30		CCEDRM
CC#CCS(=O)(=O)[N-]C(=O)c1ccc(OCC)nc1	ZINC001261205307	808926339	/nfs/dbraw/zinc/92/63/39/808926339.db2.gz	WPOIFLDNFNFSPJ-UHFFFAOYSA-N	-1	0	282.321	0.563	20	30		CCEDRM
CC(=O)[N-]S(=O)(=O)c1ccc(N2CC(C)(C#N)C2)nc1	ZINC001163953858	802640841	/nfs/dbraw/zinc/64/08/41/802640841.db2.gz	FVUUVLYDFBLAEB-UHFFFAOYSA-N	-1	0	294.336	0.256	20	30		CCEDRM
N#Cc1c[n-]c(=O)n(Cc2cccc(F)c2F)c1=O	ZINC001166382465	802903439	/nfs/dbraw/zinc/90/34/39/802903439.db2.gz	CGZSYRUJBLCWKP-UHFFFAOYSA-N	-1	0	263.203	0.735	20	30		CCEDRM
N#Cc1cc([N-]S(=O)(=O)c2cncc(N)c2)ccn1	ZINC001206607181	803275331	/nfs/dbraw/zinc/27/53/31/803275331.db2.gz	NEJCCEDJFAYQOC-UHFFFAOYSA-N	-1	0	275.293	0.153	20	30		CCEDRM
COc1ccc(N=C(NO)c2nonc2N)cc1C(=O)[O-]	ZINC001209896926	803633898	/nfs/dbraw/zinc/63/38/98/803633898.db2.gz	NPANVKCOYGPXIL-UHFFFAOYSA-N	-1	0	293.239	0.416	20	30		CCEDRM
C=CCOC[C@H](CS(=O)(=O)[O-])OCCCOC	ZINC001211347178	803676565	/nfs/dbraw/zinc/67/65/65/803676565.db2.gz	SBACVGGSLRGSKQ-SNVBAGLBSA-N	-1	0	268.331	0.499	20	30		CCEDRM
C=CCC[C@@H](NC(=O)CCn1ccnn1)C(=O)[O-]	ZINC000315878384	804653402	/nfs/dbraw/zinc/65/34/02/804653402.db2.gz	KATSBIWGPQWGEU-SECBINFHSA-N	-1	0	252.274	0.204	20	30		CCEDRM
C=CCOC[C@@H](CS(=O)(=O)[O-])OCc1cnccn1	ZINC001222475048	804903230	/nfs/dbraw/zinc/90/32/30/804903230.db2.gz	MNWYWQGDTQKIKL-NSHDSACASA-N	-1	0	288.325	0.452	20	30		CCEDRM
C=CCOC[C@H](CS(=O)(=O)[O-])OCC1CCOCC1	ZINC001222639892	804922009	/nfs/dbraw/zinc/92/20/09/804922009.db2.gz	QYRFBBUCUMUOGA-GFCCVEGCSA-N	-1	0	294.369	0.889	20	30		CCEDRM
COc1cc(C#N)ccc1OC(=O)[C@@H](O)CC(=O)[O-]	ZINC001225194049	805113591	/nfs/dbraw/zinc/11/35/91/805113591.db2.gz	UDUBOYYGUXGVQR-QMMMGPOBSA-N	-1	0	265.221	0.308	20	30		CCEDRM
N#Cc1ccc(OC(=O)[C@H](O)CCC(=O)[O-])cc1F	ZINC001225352834	805122561	/nfs/dbraw/zinc/12/25/61/805122561.db2.gz	CVSIMVYZQHBAHF-SNVBAGLBSA-N	-1	0	267.212	0.828	20	30		CCEDRM
C=C[C@@H](C#CC(C)(C)C)Oc1c([O-])c(=O)c(=O)c1=O	ZINC001225830458	805166951	/nfs/dbraw/zinc/16/69/51/805166951.db2.gz	JJKYHNFKHWZXQP-QMMMGPOBSA-N	-1	0	262.261	0.331	20	30		CCEDRM
CC(=O)N1CCC[C@@H](Oc2nccc(/C=N/O)n2)C1	ZINC001226253146	805211070	/nfs/dbraw/zinc/21/10/70/805211070.db2.gz	FIVHDVQLGNSGCB-LLUUXILJSA-N	-1	0	264.285	0.674	20	30		CCEDRM
COC(=O)[C@H]1C[C@@H](Oc2nccc(/C=N/O)n2)C1	ZINC001226254279	805211460	/nfs/dbraw/zinc/21/14/60/805211460.db2.gz	UFRNJVRVDJBPNF-ICHOKVIASA-N	-1	0	251.242	0.615	20	30		CCEDRM
C#CC(C#C)Oc1nc[n-]c(=O)c1Br	ZINC001226721383	805271370	/nfs/dbraw/zinc/27/13/70/805271370.db2.gz	HZVSNMKGOGGBIP-UHFFFAOYSA-N	-1	0	253.055	0.959	20	30		CCEDRM
CC(=O)c1cc(C#N)ccc1OC(=O)[C@H](O)CCC(=O)[O-]	ZINC001226974905	805301303	/nfs/dbraw/zinc/30/13/03/805301303.db2.gz	KZWOQNKPZADJOR-LLVKDONJSA-N	-1	0	291.259	0.892	20	30		CCEDRM
C[C@@H](C#C[Si](C)(C)C)Oc1nc(=O)[n-]c(=O)[nH]1	ZINC001227571681	805367058	/nfs/dbraw/zinc/36/70/58/805367058.db2.gz	XVKKTYQYYYCQRY-ZETCQYMHSA-N	-1	0	253.334	0.931	20	30		CCEDRM
Cc1nnc(=S)[n-]c1OC1CN(CCC#N)C1	ZINC001227601195	805368977	/nfs/dbraw/zinc/36/89/77/805368977.db2.gz	IMOBYCUUCUWZSQ-UHFFFAOYSA-N	-1	0	251.315	0.445	20	30		CCEDRM
C=C[C@H](Oc1[n-]c(=O)nc2ncsc21)C(=O)OC	ZINC001227609101	805370161	/nfs/dbraw/zinc/37/01/61/805370161.db2.gz	FONREPDTRPFCOM-YFKPBYRVSA-N	-1	0	267.266	0.898	20	30		CCEDRM
N#CCN1CC[C@H](Oc2[n-]c(=O)nc3ncsc32)C1	ZINC001227608772	805370580	/nfs/dbraw/zinc/37/05/80/805370580.db2.gz	CUHLQKZXPIRGTI-ZETCQYMHSA-N	-1	0	277.309	0.769	20	30		CCEDRM
N#Cc1cc(F)c(OC(=O)[C@H](O)CCC(=O)[O-])c(F)c1	ZINC001228076199	805413268	/nfs/dbraw/zinc/41/32/68/805413268.db2.gz	IQDHSZMMXREQPT-SECBINFHSA-N	-1	0	285.202	0.968	20	30		CCEDRM
CCOC(=O)C[C@@H](CC#N)Oc1nnc(C(=O)OC)[n-]1	ZINC001228308944	805433306	/nfs/dbraw/zinc/43/33/06/805433306.db2.gz	PQQGVVQNQQETRS-SSDOTTSWSA-N	-1	0	282.256	0.206	20	30		CCEDRM
N#Cc1cccc(-c2cc(=O)n(C(=O)c3nc[nH]n3)[n-]2)c1	ZINC001245937652	807101622	/nfs/dbraw/zinc/10/16/22/807101622.db2.gz	RJMIBFHTNGGRMV-UHFFFAOYSA-N	-1	0	280.247	0.934	20	30		CCEDRM
N#Cc1ccc(C[N-]S(=O)(=O)C(F)(F)F)cn1	ZINC001252401218	807819454	/nfs/dbraw/zinc/81/94/54/807819454.db2.gz	NLRNOMSNLAAQLP-UHFFFAOYSA-N	-1	0	265.216	0.892	20	30		CCEDRM
C#CCCCc1cn(CCOCCOCCC(=O)[O-])nn1	ZINC001254089407	808179399	/nfs/dbraw/zinc/17/93/99/808179399.db2.gz	ZBUSXZFLARYTHX-UHFFFAOYSA-N	-1	0	295.339	0.742	20	30		CCEDRM
C=CC[C@H](NC(=O)[C@@H]1C[C@@H]1c1cnn(C)c1)C(=O)[O-]	ZINC001256560765	808533719	/nfs/dbraw/zinc/53/37/19/808533719.db2.gz	UEAQSBPVNNZRNZ-MXWKQRLJSA-N	-1	0	263.297	0.669	20	30		CCEDRM
[NH3+]CCC[N@H+](C[C@H](S)OP(=O)([O-])[O-])C1CCCC1	ZINC001257349436	808611372	/nfs/dbraw/zinc/61/13/72/808611372.db2.gz	NWKCSQSEWHMWLR-JTQLQIEISA-N	-1	0	298.345	0.945	20	30		CCEDRM
N#Cc1ccc(S(=O)(=O)Nc2c([O-])nc[nH]c2=O)cc1	ZINC001258045869	808651692	/nfs/dbraw/zinc/65/16/92/808651692.db2.gz	ZWUVKVUJYGYERH-UHFFFAOYSA-N	-1	0	292.276	0.560	20	30		CCEDRM
Cc1noc(C)c1S(=O)(=O)[N-]c1c(C#N)ncn1C	ZINC001258531583	808693434	/nfs/dbraw/zinc/69/34/34/808693434.db2.gz	SBVFAVJZPQBRKL-UHFFFAOYSA-N	-1	0	281.297	0.697	20	30		CCEDRM
Cn1cnc(S(=O)(=O)[N-]c2ccc(C#N)cc2O)c1	ZINC001259000084	808711824	/nfs/dbraw/zinc/71/18/24/808711824.db2.gz	IBHPRZRVKWBZJV-UHFFFAOYSA-N	-1	0	278.293	0.798	20	30		CCEDRM
C=CCS(=O)(=O)[N-]c1nc(F)ccc1C(N)=O	ZINC001259923490	808805396	/nfs/dbraw/zinc/80/53/96/808805396.db2.gz	MLPQUOHDJALLOP-UHFFFAOYSA-N	-1	0	259.262	0.247	20	30		CCEDRM
C[C@@H](C#N)NS(=O)(=O)c1ccc(O)c(C(=O)[O-])c1	ZINC001260402536	808859799	/nfs/dbraw/zinc/85/97/99/808859799.db2.gz	NNKUUNSAKVZKDP-LURJTMIESA-N	-1	0	270.266	0.281	20	30		CCEDRM
Cc1nc(S(=O)(=O)[N-]c2cc(F)cnc2C#N)cn1C	ZINC001260543024	808863224	/nfs/dbraw/zinc/86/32/24/808863224.db2.gz	BOUSBHXNUDDRPD-UHFFFAOYSA-N	-1	0	295.299	0.935	20	30		CCEDRM
C=C1CC=C(F)C=C1NS(=O)(=O)CS(C)(=O)=O	ZINC001260596997	808872653	/nfs/dbraw/zinc/87/26/53/808872653.db2.gz	XTNKMCVHALVDKA-UHFFFAOYSA-N	-1	0	281.330	0.605	20	30		CCEDRM
Cc1nnc([S-])n(N=Cc2nc(C#N)cs2)c1=O	ZINC001261235621	808932356	/nfs/dbraw/zinc/93/23/56/808932356.db2.gz	BEYLSXRNACXZHP-UHFFFAOYSA-N	-1	0	278.322	0.446	20	30		CCEDRM
C=CCOC[C@H](CS(=O)(=O)[O-])OCCOC(C)=O	ZINC001224577640	815279740	/nfs/dbraw/zinc/27/97/40/815279740.db2.gz	KDPJKXFYICJNEM-SNVBAGLBSA-N	-1	0	282.314	0.025	20	30		CCEDRM
C=CCn1c(-c2cc(=O)[nH][n-]2)nnc1N(C)CCC1CC1	ZINC001262969900	809424999	/nfs/dbraw/zinc/42/49/99/809424999.db2.gz	UHMCXKMEBABPGA-UHFFFAOYSA-N	-1	0	288.355	0.924	20	30		CCEDRM
C#CCOCCNC(=O)N1CCC[C@@H](CCC(=O)[O-])C1	ZINC001263063638	809429792	/nfs/dbraw/zinc/42/97/92/809429792.db2.gz	ZOBMRKRSKQLFSD-LBPRGKRZSA-N	-1	0	282.340	0.923	20	30		CCEDRM
C#CCOCCNC(=O)N1CCC[C@H](CCC(=O)[O-])C1	ZINC001263063637	809430557	/nfs/dbraw/zinc/43/05/57/809430557.db2.gz	ZOBMRKRSKQLFSD-GFCCVEGCSA-N	-1	0	282.340	0.923	20	30		CCEDRM
CNC(=O)c1cccc(C([O-])=C(C#N)C(=O)NC(C)C)n1	ZINC001263291514	809503642	/nfs/dbraw/zinc/50/36/42/809503642.db2.gz	ZIPNEFNWDJFCOF-VIFPVBQESA-N	-1	0	288.307	0.288	20	30		CCEDRM
C=CCNC(=O)C(C#N)=C([O-])c1conc1COC	ZINC001263295279	809504392	/nfs/dbraw/zinc/50/43/92/809504392.db2.gz	UCIYCNREOJDHAO-MRVPVSSYSA-N	-1	0	263.253	0.446	20	30		CCEDRM
N#Cc1ccc(S(=O)(=O)N[C@H]2CC=C(C(=O)[O-])C2)cn1	ZINC000694944268	811534892	/nfs/dbraw/zinc/53/48/92/811534892.db2.gz	QOPMLJIVTGDMAA-VIFPVBQESA-N	-1	0	293.304	0.405	20	30		CCEDRM
N#Cc1cncc(S(=O)(=O)N[C@H]2CC=C(C(=O)[O-])C2)c1	ZINC000694945538	811536146	/nfs/dbraw/zinc/53/61/46/811536146.db2.gz	ZGOYKZMBXWYDPK-JTQLQIEISA-N	-1	0	293.304	0.405	20	30		CCEDRM
CCOC(=O)[C@@H](C#C[Si](C)(C)C)Oc1nncc(=O)[n-]1	ZINC001226167593	813905030	/nfs/dbraw/zinc/90/50/30/813905030.db2.gz	HCNNWXXAHSFPRX-SECBINFHSA-N	-1	0	295.371	0.769	20	30		CCEDRM
Cc1[nH]nc(C(=O)N2CC[C@@H]([C@H](C)NCC#N)C2)c1[O-]	ZINC001271482578	814459706	/nfs/dbraw/zinc/45/97/06/814459706.db2.gz	OYIXHTWCHUOOIF-WCBMZHEXSA-N	-1	0	277.328	0.388	20	30		CCEDRM
C=C(C)C(=O)OCCNc1ccc(C(=O)[O-])nn1	ZINC001168071255	814541824	/nfs/dbraw/zinc/54/18/24/814541824.db2.gz	VBSCQUIVHNQSHO-UHFFFAOYSA-N	-1	0	251.242	0.706	20	30		CCEDRM
C=CCN1CC[C@@]2(CCN(C(=O)c3cc(=O)[nH][n-]3)C2)C1=O	ZINC001272282831	816252117	/nfs/dbraw/zinc/25/21/17/816252117.db2.gz	KUVKHEAOSFSKHY-AWEZNQCLSA-N	-1	0	290.323	0.366	20	30		CCEDRM
CO[C@@H](C)c1nc(=NC(=O)NCCC#N)s[n-]1	ZINC000350653748	816342721	/nfs/dbraw/zinc/34/27/21/816342721.db2.gz	PLMSTNOMTLRGRP-LURJTMIESA-N	-1	0	255.303	0.703	20	30		CCEDRM
CCn1ccnc1C(C#N)=C([O-])c1nnn(C)c1C	ZINC001123337588	816922524	/nfs/dbraw/zinc/92/25/24/816922524.db2.gz	IHDCQQZRHJLXSJ-VIFPVBQESA-N	-1	0	258.285	0.830	20	30		CCEDRM
N#CCCNC(=O)N=c1nc2cc(Cl)ccn2[n-]1	ZINC000353523646	817392235	/nfs/dbraw/zinc/39/22/35/817392235.db2.gz	PZHUBVLVHMBBFJ-UHFFFAOYSA-N	-1	0	264.676	0.840	20	30		CCEDRM
C=CCCS(=O)(=O)NCc1nc(CC(=O)[O-])cs1	ZINC000710580721	819855879	/nfs/dbraw/zinc/85/58/79/819855879.db2.gz	PQAQFJZQZCBDGG-UHFFFAOYSA-N	-1	0	290.366	0.766	20	30		CCEDRM
C=CC[C@@H]1CCCN(C(=O)C(=O)N[C@H]2C[C@@H](C(=O)[O-])C2)C1	ZINC001119399080	821287803	/nfs/dbraw/zinc/28/78/03/821287803.db2.gz	TWRFXLRXFXUYBF-UTUOFQBUSA-N	-1	0	294.351	0.781	20	30		CCEDRM
C#CC[C@H](NC(=O)[C@H](C)Cc1c(C)nn(C)c1C)C(=O)[O-]	ZINC000820352855	821441477	/nfs/dbraw/zinc/44/14/77/821441477.db2.gz	NDYBACRAZMFDDY-RNCFNFMXSA-N	-1	0	291.351	0.808	20	30		CCEDRM
O=C(CCC(=O)C1=CC=C[CH]1)NC[C@H]1CCC(=O)N1	ZINC001184245072	844187542	/nfs/dbraw/zinc/18/75/42/844187542.db2.gz	YXZKSKIVSSITSO-LLVKDONJSA-N	-1	0	261.301	0.431	20	30		CCEDRM
CC(=O)NC[C@@H](C)CNC(=O)CCC(=O)C1=CC=C[CH]1	ZINC001184246722	844189100	/nfs/dbraw/zinc/18/91/00/844189100.db2.gz	YSCNPLHVLLTXBY-LLVKDONJSA-N	-1	0	277.344	0.925	20	30		CCEDRM
C[C@@H](Nc1ccc(C#N)cn1)[C@H](C)NC(=O)c1cn[nH]n1	ZINC001113356488	837094397	/nfs/dbraw/zinc/09/43/97/837094397.db2.gz	IHONLDZPTALZAU-BDAKNGLRSA-N	-1	0	285.311	0.690	20	30		CCEDRM
C[C@H](NC(=O)c1cn[nH]n1)[C@H](C)Nc1nccnc1C#N	ZINC001113356275	837095422	/nfs/dbraw/zinc/09/54/22/837095422.db2.gz	DMXZZFLLKKITKQ-YUMQZZPRSA-N	-1	0	286.299	0.085	20	30		CCEDRM
N#Cc1c(N)nn(C([O-])=CC(=O)C(F)(F)F)c1N	ZINC001184460288	844249170	/nfs/dbraw/zinc/24/91/70/844249170.db2.gz	KPYLAKWPBYDSHK-UHFFFAOYSA-N	-1	0	261.163	0.081	20	30		CCEDRM
CC1(C#N)CN(C(=O)c2[nH]c(=O)ccc2Cl)C1	ZINC001184797879	844288538	/nfs/dbraw/zinc/28/85/38/844288538.db2.gz	CSRKNHDTKQJFES-UHFFFAOYSA-N	-1	0	251.673	0.852	20	30		CCEDRM
C#Cc1nccnc1[N-]S(=O)(=O)c1cnc(Cl)nc1	ZINC001185005651	844321047	/nfs/dbraw/zinc/32/10/47/844321047.db2.gz	JPWXWXDCOGJXCJ-UHFFFAOYSA-N	-1	0	295.711	0.702	20	30		CCEDRM
N#CC1(CC(=O)[N-]S(=O)(=O)Cc2ccccn2)CC1	ZINC000816059537	839224771	/nfs/dbraw/zinc/22/47/71/839224771.db2.gz	JHMWADSEWJTHTG-UHFFFAOYSA-N	-1	0	279.321	0.721	20	30		CCEDRM
O=C(/C=C/C(=O)c1ccccc1)NCS(=O)(=O)[O-]	ZINC001144713921	840122401	/nfs/dbraw/zinc/12/24/01/840122401.db2.gz	DBGKORBTJRKPRB-VOTSOKGWSA-N	-1	0	269.278	0.387	20	30		CCEDRM
C#CCO[N-]C(=O)[C@H]1Cc2cc(F)ccc2NC1=O	ZINC001147032483	840475608	/nfs/dbraw/zinc/47/56/08/840475608.db2.gz	BAQYSXDTFKQSBJ-JTQLQIEISA-N	-1	0	262.240	0.618	20	30		CCEDRM
N#Cc1cc(NC(=O)c2cc(=O)[nH]c(=O)[nH]2)c([O-])cc1F	ZINC001147697050	840664900	/nfs/dbraw/zinc/66/49/00/840664900.db2.gz	BQGKJQFSMVETOV-UHFFFAOYSA-N	-1	0	290.210	0.856	20	30		CCEDRM
NC(=O)c1ccc(C(N)=NC(=O)c2cccc(O)c2[O-])cc1	ZINC001148224866	840765777	/nfs/dbraw/zinc/76/57/77/840765777.db2.gz	XVKHDKFPTSDGIZ-UHFFFAOYSA-N	-1	0	299.286	0.742	20	30		CCEDRM
C=C[C@@](C)(O)CC(=O)N[C@@H](CCSC)c1nnn[n-]1	ZINC001148261358	840772854	/nfs/dbraw/zinc/77/28/54/840772854.db2.gz	RVHDNPVUPCJSOX-GZMMTYOYSA-N	-1	0	285.373	0.437	20	30		CCEDRM
CCN(C(=O)CCCn1c(=O)[n-][nH]c1=O)[C@H](C)C#N	ZINC001148811457	840893997	/nfs/dbraw/zinc/89/39/97/840893997.db2.gz	LMJSXUVEJDUDFH-MRVPVSSYSA-N	-1	0	267.289	0.230	20	30		CCEDRM
CC[C@H](C)[C@H](NS(=O)(=O)c1ccco1)C(=O)NO	ZINC001186886803	844611104	/nfs/dbraw/zinc/61/11/04/844611104.db2.gz	NGYGCTBQXNQLMZ-CBAPKCEASA-N	-1	0	276.314	0.478	20	30		CCEDRM
Cn1cc([N-]S(=O)(=O)c2ccco2)c(C#N)n1	ZINC001186820366	844606590	/nfs/dbraw/zinc/60/65/90/844606590.db2.gz	PLCYQMQCGAUYGL-UHFFFAOYSA-N	-1	0	252.255	0.686	20	30		CCEDRM
C=CCOC[C@@H](CS(=O)(=O)[O-])OCCCC(=O)OC	ZINC001206216500	842158538	/nfs/dbraw/zinc/15/85/38/842158538.db2.gz	NHPQCPZDYMPHKF-JTQLQIEISA-N	-1	0	296.341	0.415	20	30		CCEDRM
N#Cc1ccc2c(c1)CCN(C(=O)Cc1nnn[n-]1)C2	ZINC001176840268	842425045	/nfs/dbraw/zinc/42/50/45/842425045.db2.gz	NNUWQTYCYNXECY-UHFFFAOYSA-N	-1	0	268.280	0.199	20	30		CCEDRM
C[C@@H](C#N)C(=O)Nc1ccc2c(c1)S(=O)(=O)[N-]C2=O	ZINC001179895508	843070336	/nfs/dbraw/zinc/07/03/36/843070336.db2.gz	SAVXOGQSRBRSLF-LURJTMIESA-N	-1	0	279.277	0.217	20	30		CCEDRM
C[C@H](C(=O)NCc1nnn[n-]1)c1ccc(C#N)cc1	ZINC001182797758	843915695	/nfs/dbraw/zinc/91/56/95/843915695.db2.gz	GIAWVIVLYRFFQJ-QMMMGPOBSA-N	-1	0	256.269	0.491	20	30		CCEDRM
N#Cc1c(N)nn(C(=O)c2ncc(C(F)(F)F)[n-]2)c1N	ZINC001188280216	844862946	/nfs/dbraw/zinc/86/29/46/844862946.db2.gz	BJVXKWDLZQFVJU-UHFFFAOYSA-N	-1	0	285.189	0.350	20	30		CCEDRM
N#Cc1ccnnc1[N-]S(=O)(=O)c1ccoc1	ZINC001188579517	844925307	/nfs/dbraw/zinc/92/53/07/844925307.db2.gz	DCKABKVXSYTMAQ-UHFFFAOYSA-N	-1	0	250.239	0.742	20	30		CCEDRM
N#Cc1cccc(C(=O)n2[n-]c3ccnc(=O)c-3c2N)c1F	ZINC001190555164	845425756	/nfs/dbraw/zinc/42/57/56/845425756.db2.gz	RPMMAUHIPNEYCS-UHFFFAOYSA-N	-1	0	297.249	0.958	20	30		CCEDRM
COc1nonc1[N-]S(=O)(=O)c1cc(C#N)ccc1F	ZINC001190616615	845437719	/nfs/dbraw/zinc/43/77/19/845437719.db2.gz	ZRELJEMGYITMSP-UHFFFAOYSA-N	-1	0	298.255	0.890	20	30		CCEDRM
Cn1ncc([N-]S(=O)(=O)c2ccncc2)c1C#N	ZINC001190860577	845528323	/nfs/dbraw/zinc/52/83/23/845528323.db2.gz	SVGRRAZGNPPTHO-UHFFFAOYSA-N	-1	0	263.282	0.488	20	30		CCEDRM
N#Cc1ccc(C(=O)NCCCC[P@](=O)([O-])O)o1	ZINC001192692088	845893772	/nfs/dbraw/zinc/89/37/72/845893772.db2.gz	PXXZJLQBSWUHNY-UHFFFAOYSA-N	-1	0	272.197	0.839	20	30		CCEDRM
N#C[C@H]1CNCCN1C(=O)c1ccc([O-])c(F)c1F	ZINC001192833555	845917903	/nfs/dbraw/zinc/91/79/03/845917903.db2.gz	XJAJKEWQCQPJPK-ZETCQYMHSA-N	-1	0	267.235	0.608	20	30		CCEDRM
COC(=O)c1cc(Cl)ncc1[N-]S(=O)(=O)CC#N	ZINC001192938771	845941710	/nfs/dbraw/zinc/94/17/10/845941710.db2.gz	GVUYZRRETPLOFX-UHFFFAOYSA-N	-1	0	289.700	0.787	20	30		CCEDRM
N#CCS(=O)(=O)[N-]c1sc2c(c1C(N)=O)CCC2	ZINC001192935351	845941863	/nfs/dbraw/zinc/94/18/63/845941863.db2.gz	OZUOXUJRSPONQQ-UHFFFAOYSA-N	-1	0	285.350	0.601	20	30		CCEDRM
CCOc1cc(C(N)=O)ccc1[N-]S(=O)(=O)CC#N	ZINC001192972101	845957635	/nfs/dbraw/zinc/95/76/35/845957635.db2.gz	KPDCVMUSVXFURP-UHFFFAOYSA-N	-1	0	283.309	0.449	20	30		CCEDRM
N#CCS(=O)(=O)[N-]c1cc(Cl)ccc1C(N)=O	ZINC001192978957	845961195	/nfs/dbraw/zinc/96/11/95/845961195.db2.gz	QEWGEFNNNBOZNP-UHFFFAOYSA-N	-1	0	273.701	0.704	20	30		CCEDRM
CCOC(=O)c1cnc([N-]S(=O)(=O)[C@@H](C)C#N)cn1	ZINC001193104018	845978398	/nfs/dbraw/zinc/97/83/98/845978398.db2.gz	CUZORULMKYNJMC-ZETCQYMHSA-N	-1	0	284.297	0.307	20	30		CCEDRM
C[C@@H](C#N)S(=O)(=O)[N-]c1cc(=O)[nH]c(C2CC2)n1	ZINC001193105175	845978800	/nfs/dbraw/zinc/97/88/00/845978800.db2.gz	RQEFPGGIPOYFCP-LURJTMIESA-N	-1	0	268.298	0.713	20	30		CCEDRM
CCOC(=O)c1ncc([N-]S(=O)(=O)[C@@H](C)C#N)cn1	ZINC001193111416	845980790	/nfs/dbraw/zinc/98/07/90/845980790.db2.gz	GNQVARIYCRVFGS-ZETCQYMHSA-N	-1	0	284.297	0.307	20	30		CCEDRM
N#Cc1ncc([N-]S(=O)(=O)C[C@@H]2CCCO2)cn1	ZINC001193209012	846019397	/nfs/dbraw/zinc/01/93/97/846019397.db2.gz	YLDXPSHDXWDOAH-VIFPVBQESA-N	-1	0	268.298	0.269	20	30		CCEDRM
N#Cc1cc(C(=O)N2CC[C@@H](C(N)=O)C2)ccc1[O-]	ZINC001193504299	846101589	/nfs/dbraw/zinc/10/15/89/846101589.db2.gz	QBQPSELDUORPOW-SECBINFHSA-N	-1	0	259.265	0.211	20	30		CCEDRM
COc1ccnc(C(=N)NC(=O)c2ccc([O-])c(C#N)c2)n1	ZINC001193516001	846103138	/nfs/dbraw/zinc/10/31/38/846103138.db2.gz	XIDYORHWJUXGPO-UHFFFAOYSA-N	-1	0	297.274	0.818	20	30		CCEDRM
N#Cc1cc(C(=O)n2cc(F)c(=O)nc2N)ccc1[O-]	ZINC001193512959	846103284	/nfs/dbraw/zinc/10/32/84/846103284.db2.gz	VZUYRGIAIGZVBI-UHFFFAOYSA-N	-1	0	274.211	0.473	20	30		CCEDRM
C#Cc1cc([N-]S(=O)(=O)c2nccn2C)ccn1	ZINC001193554717	846117078	/nfs/dbraw/zinc/11/70/78/846117078.db2.gz	DJUWVSZBCGXBOU-UHFFFAOYSA-N	-1	0	262.294	0.019	20	30		CCEDRM
Cn1[n-]c(C(=O)N(O)C(=N)c2ccccc2N)cc1=O	ZINC001194202037	846240472	/nfs/dbraw/zinc/24/04/72/846240472.db2.gz	UGGBRAHLZIXJLR-UHFFFAOYSA-N	-1	0	275.268	0.565	20	30		CCEDRM
C#CCCNS(=O)(=O)c1cc(C(=O)[O-])c(F)cc1F	ZINC001195258575	846487738	/nfs/dbraw/zinc/48/77/38/846487738.db2.gz	QNUCDUBSUIFGPO-UHFFFAOYSA-N	-1	0	289.259	0.965	20	30		CCEDRM
C=CC[C@@H](NC(=O)[C@@H]1COc2ccccc2O1)C(=O)[O-]	ZINC000159537159	846573026	/nfs/dbraw/zinc/57/30/26/846573026.db2.gz	KFNBGTZUJYMCRI-SKDRFNHKSA-N	-1	0	277.276	0.972	20	30		CCEDRM
CC1(C)C(=O)NC[C@@H]1NC(=O)c1ccc(C#N)cc1[O-]	ZINC001195769134	846615003	/nfs/dbraw/zinc/61/50/03/846615003.db2.gz	WLMYTLDHCFJFGH-NSHDSACASA-N	-1	0	273.292	0.518	20	30		CCEDRM
N#C[C@H]1CN(C(=O)c2cc(Cl)ncc2[O-])CCO1	ZINC001196396553	846740894	/nfs/dbraw/zinc/74/08/94/846740894.db2.gz	VAFXJQHNGIBXOF-ZETCQYMHSA-N	-1	0	267.672	0.805	20	30		CCEDRM
COC(=O)CNC(=S)Nc1cc(C#N)ccc1[O-]	ZINC001197190254	846853535	/nfs/dbraw/zinc/85/35/35/846853535.db2.gz	JIYIRADTWZPYHU-UHFFFAOYSA-N	-1	0	265.294	0.723	20	30		CCEDRM
N#Cc1ncc([N-]S(=O)(=O)Cc2ccccn2)cn1	ZINC001197782230	846962215	/nfs/dbraw/zinc/96/22/15/846962215.db2.gz	ITHHYEVFUKKXOP-UHFFFAOYSA-N	-1	0	275.293	0.685	20	30		CCEDRM
COC(=O)CCCS(=O)(=O)[N-]c1onc(C)c1C#N	ZINC001201903718	847830546	/nfs/dbraw/zinc/83/05/46/847830546.db2.gz	VUCLXTMNEFUFJK-UHFFFAOYSA-N	-1	0	287.297	0.550	20	30		CCEDRM
N#Cc1cc(C(=O)N2Cc3n[nH]c(C(N)=O)c3C2)ccc1[O-]	ZINC001276156093	848942072	/nfs/dbraw/zinc/94/20/72/848942072.db2.gz	NWHDURZOACTXCW-UHFFFAOYSA-N	-1	0	297.274	0.242	20	30		CCEDRM
N#Cc1cc(C(=O)NC23CC(C(N)=O)(C2)C3)ccc1[O-]	ZINC001276156597	848942098	/nfs/dbraw/zinc/94/20/98/848942098.db2.gz	VLGQCUDEEJYFIN-UHFFFAOYSA-N	-1	0	271.276	0.402	20	30		CCEDRM
N#Cc1cc(C(=O)N2C[C@@H]3CC[C@H](C2)[C@H]3C(N)=O)ccc1[O-]	ZINC001276156579	848942395	/nfs/dbraw/zinc/94/23/95/848942395.db2.gz	UVEKKRRQTXBSGF-GNXNZQSNSA-N	-1	0	299.330	0.847	20	30		CCEDRM
C=C[C@@H](O)CNc1ccc2c(c1)S(=O)(=O)[N-]C2=O	ZINC001253592253	849583207	/nfs/dbraw/zinc/58/32/07/849583207.db2.gz	KZVUUGTVNBEEPZ-MRVPVSSYSA-N	-1	0	268.294	0.078	20	30		CCEDRM
C#CCN1CC(N(C)C(=O)c2n[n-]c3ccccc3c2=O)C1	ZINC001043988832	850980025	/nfs/dbraw/zinc/98/00/25/850980025.db2.gz	VOCLSDJRBNYSDD-UHFFFAOYSA-N	-1	0	296.330	0.725	20	30		CCEDRM
CCOC(=O)c1c(C)oc([N-]S(N)(=O)=O)c1C#N	ZINC001260074337	851972665	/nfs/dbraw/zinc/97/26/65/851972665.db2.gz	HQLYGYJKNRBGKS-UHFFFAOYSA-N	-1	0	273.270	0.252	20	30		CCEDRM
C#C[C@H](CCC)NC(=O)C1(C(=O)[O-])CCOCC1	ZINC000689305212	852470051	/nfs/dbraw/zinc/47/00/51/852470051.db2.gz	YLPKHZFZKOJADT-SNVBAGLBSA-N	-1	0	253.298	0.786	20	30		CCEDRM
C#CC[C@@H](NC(=O)Cc1ccc(OC)c(OC)c1)C(=O)[O-]	ZINC000149667594	853995265	/nfs/dbraw/zinc/99/52/65/853995265.db2.gz	NSIFQFJTHYYDJT-LLVKDONJSA-N	-1	0	291.303	0.839	20	30		CCEDRM
C#CC[C@H](NC(=O)c1sc(C)nc1C)C(=O)[O-]	ZINC000149798474	853998702	/nfs/dbraw/zinc/99/87/02/853998702.db2.gz	KHTXMJWJLAPSNN-QMMMGPOBSA-N	-1	0	252.295	0.966	20	30		CCEDRM
C#CC[C@@H](NC(=O)[C@H]1COc2ccccc2C1)C(=O)[O-]	ZINC000149853385	854003370	/nfs/dbraw/zinc/00/33/70/854003370.db2.gz	ZIBKDEQOAHBCJV-VXGBXAGGSA-N	-1	0	273.288	0.830	20	30		CCEDRM
C#CC[C@H](NC(=O)[C@@H]1COc2ccccc2O1)C(=O)[O-]	ZINC000149933093	854008666	/nfs/dbraw/zinc/00/86/66/854008666.db2.gz	ABRJJMQZGGFYMC-CABZTGNLSA-N	-1	0	275.260	0.419	20	30		CCEDRM
N#CCCCCS(=O)(=O)N[C@H](C(=O)[O-])[C@H]1CCOC1	ZINC001116684484	855813180	/nfs/dbraw/zinc/81/31/80/855813180.db2.gz	FDNDFAWKOHBDQX-UWVGGRQHSA-N	-1	0	290.341	0.089	20	30		CCEDRM
C[C@H](C#N)CN(C)C(=O)c1c[n-]n2c1nccc2=O	ZINC001117764350	856073092	/nfs/dbraw/zinc/07/30/92/856073092.db2.gz	ZENHCAYNJZAVSB-MRVPVSSYSA-N	-1	0	259.269	0.254	20	30		CCEDRM
C=CC[C@H](CC)NC(=O)C(=O)NCCCCC(=O)[O-]	ZINC001119331505	856636921	/nfs/dbraw/zinc/63/69/21/856636921.db2.gz	BJHREPIWPFMBNV-JTQLQIEISA-N	-1	0	270.329	0.828	20	30		CCEDRM
C=CCOC[C@H](NCc1ncc(Cl)n1C)C(=O)[O-]	ZINC001119536900	856726319	/nfs/dbraw/zinc/72/63/19/856726319.db2.gz	TXIHWAVZLDHQHA-QMMMGPOBSA-N	-1	0	273.720	0.819	20	30		CCEDRM
C=CCO[C@@H]1CCN(C(=O)c2cc(C(=O)[O-])on2)C1	ZINC001119580937	856752657	/nfs/dbraw/zinc/75/26/57/856752657.db2.gz	RWDNYBAFYTYALC-MRVPVSSYSA-N	-1	0	266.253	0.790	20	30		CCEDRM
C#CCN1CCN(C(=O)c2ccc(/C=C\C(=O)[O-])o2)CC1	ZINC001119586647	856757776	/nfs/dbraw/zinc/75/77/76/856757776.db2.gz	MZYHAZQKTDZDCA-XQRVVYSFSA-N	-1	0	288.303	0.768	20	30		CCEDRM
CN(C)S(=O)(=O)[N-]C(=O)/C=C\c1ccccc1C#N	ZINC001324034850	912638590	/nfs/dbraw/zinc/63/85/90/912638590.db2.gz	SRMGXLZCCVDGIQ-FPLPWBNLSA-N	-1	0	279.321	0.494	20	30		CCEDRM
CC#CCS(=O)(=O)[N-]C(=O)c1cc(CC)n(C)n1	ZINC001324191891	912713274	/nfs/dbraw/zinc/71/32/74/912713274.db2.gz	CUQOQQHANNBQFD-UHFFFAOYSA-N	-1	0	269.326	0.065	20	30		CCEDRM
C#CC[C@@H](NC(=O)C(=O)[N-]OCCOC)c1ccccc1	ZINC001324533235	912895115	/nfs/dbraw/zinc/89/51/15/912895115.db2.gz	RIZQOGICACMPOJ-CYBMUJFWSA-N	-1	0	290.319	0.561	20	30		CCEDRM
N#Cc1cccc(C#N)c1N1CCO[C@H](C(=O)[O-])C1	ZINC001325341053	913354528	/nfs/dbraw/zinc/35/45/28/913354528.db2.gz	DAFCISPKMDTNNV-NSHDSACASA-N	-1	0	257.249	0.720	20	30		CCEDRM
Cc1[nH]nc(C(=O)N2C[C@H](C)[C@H](CNCC#N)C2)c1[O-]	ZINC001325504149	913441149	/nfs/dbraw/zinc/44/11/49/913441149.db2.gz	BFQQABLLLMHQDI-WCBMZHEXSA-N	-1	0	277.328	0.245	20	30		CCEDRM
Cc1[nH]nc(C(=O)N2C[C@@H](C)[C@@H](CNCC#N)C2)c1[O-]	ZINC001325504148	913441215	/nfs/dbraw/zinc/44/12/15/913441215.db2.gz	BFQQABLLLMHQDI-SCZZXKLOSA-N	-1	0	277.328	0.245	20	30		CCEDRM
CNC(=O)C(C#N)=C([O-])c1cnn2ccc(C)nc12	ZINC001341768328	892597365	/nfs/dbraw/zinc/59/73/65/892597365.db2.gz	KALGRUFZHWUHNY-QMMMGPOBSA-N	-1	0	257.253	0.106	20	30		CCEDRM
N#CCCCC(=O)[N-]S(=O)(=O)C[C@@H]1CCOC1	ZINC001326030369	913707037	/nfs/dbraw/zinc/70/70/37/913707037.db2.gz	AGYULCSTHQWEQH-SECBINFHSA-N	-1	0	260.315	0.163	20	30		CCEDRM
CO[N-]C(=O)C(=O)Nc1nn(C(C)(C)C)cc1C#N	ZINC001326117090	913754057	/nfs/dbraw/zinc/75/40/57/913754057.db2.gz	OBUZMVVZUPEUAJ-UHFFFAOYSA-N	-1	0	265.273	0.126	20	30		CCEDRM
N#Cc1cccc(O)c1OC(=O)[C@@H](O)CC(=O)[O-]	ZINC001226520529	893946247	/nfs/dbraw/zinc/94/62/47/893946247.db2.gz	PKBKXPBWKIJGPB-QMMMGPOBSA-N	-1	0	251.194	0.005	20	30		CCEDRM
C=CCC1(C(=O)[N-]S(=O)(=O)N(C)C)CCOCC1	ZINC001326634915	914066195	/nfs/dbraw/zinc/06/61/95/914066195.db2.gz	WLMAOVIRABXSRT-UHFFFAOYSA-N	-1	0	276.358	0.282	20	30		CCEDRM
CCOC(=O)c1cnoc1[N-]S(=O)(=O)[C@@H](C)C#N	ZINC001193106689	900031954	/nfs/dbraw/zinc/03/19/54/900031954.db2.gz	VJTCNQLZLSCPEO-LURJTMIESA-N	-1	0	273.270	0.505	20	30		CCEDRM
CCOC(=O)c1nnsc1[N-]S(=O)(=O)[C@@H](C)C#N	ZINC001193106432	900032024	/nfs/dbraw/zinc/03/20/24/900032024.db2.gz	FVNULPLGEPTMKE-YFKPBYRVSA-N	-1	0	290.326	0.369	20	30		CCEDRM
C[C@H](C#N)S(=O)(=O)[N-]c1cnccc1N1CCOCC1	ZINC001193110649	900033361	/nfs/dbraw/zinc/03/33/61/900033361.db2.gz	AFWOAWVHQXTAKI-SNVBAGLBSA-N	-1	0	296.352	0.572	20	30		CCEDRM
C[C@H](C#N)S(=O)(=O)[N-]c1ncccc1N(C)C	ZINC001193110829	900034427	/nfs/dbraw/zinc/03/44/27/900034427.db2.gz	CACCJOSMJNNZLF-MRVPVSSYSA-N	-1	0	254.315	0.801	20	30		CCEDRM
CO[N-]C(=O)CNC(=O)Nc1ccc(C#N)cc1OC	ZINC001310513058	901294893	/nfs/dbraw/zinc/29/48/93/901294893.db2.gz	AAFLKMPWJUHOGX-UHFFFAOYSA-N	-1	0	278.268	0.366	20	30		CCEDRM
N#CC[C@H](C(=O)NCc1nc(=O)o[n-]1)c1ccccc1	ZINC001411948746	901350691	/nfs/dbraw/zinc/35/06/91/901350691.db2.gz	HWCVVCKBGDVMIC-JTQLQIEISA-N	-1	0	272.264	0.677	20	30		CCEDRM
CC[C@H]1CCN(C(=O)Cn2cc(C#N)c(=O)[n-]c2=O)[C@H]1C	ZINC001412039030	901423156	/nfs/dbraw/zinc/42/31/56/901423156.db2.gz	ATJIRIQPSBQLGU-UWVGGRQHSA-N	-1	0	290.323	0.468	20	30		CCEDRM
CON1CCC(NC(=O)c2[n-]c(=O)c(C#N)cc2C)CC1	ZINC001412246639	901591057	/nfs/dbraw/zinc/59/10/57/901591057.db2.gz	HAJIQDGJHOYFHF-UHFFFAOYSA-N	-1	0	290.323	0.723	20	30		CCEDRM
CCOC(=O)CN(C)C(=O)c1[n-]c(=O)c(C#N)cc1C	ZINC001412478001	901753159	/nfs/dbraw/zinc/75/31/59/901753159.db2.gz	GXDCTDJNWPBHDN-UHFFFAOYSA-N	-1	0	277.280	0.602	20	30		CCEDRM
CN(C(=O)c1c[n-]n2c1nccc2=O)C1(C#N)CCC1	ZINC001412472330	901753614	/nfs/dbraw/zinc/75/36/14/901753614.db2.gz	OYYQMCNMYDRBGB-UHFFFAOYSA-N	-1	0	271.280	0.541	20	30		CCEDRM
CC[C@H](CC#N)NC(=O)c1ccc(-c2nn[nH]n2)cn1	ZINC001412797924	902133212	/nfs/dbraw/zinc/13/32/12/902133212.db2.gz	SZVZIBYIBJLBQZ-SECBINFHSA-N	-1	0	271.284	0.684	20	30		CCEDRM
C[C@@H]1C[C@@H](Nc2[n-]c(=O)n(C)c(=O)c2C#N)c2nccn21	ZINC001412886947	902331044	/nfs/dbraw/zinc/33/10/44/902331044.db2.gz	YIMBNVJSAQDFGS-VXNVDRBHSA-N	-1	0	286.295	0.260	20	30		CCEDRM
Cc1cc(C#N)c(=O)[n-]c1C(=O)N[C@@H](C)C(=O)NC(C)C	ZINC001413109547	902714765	/nfs/dbraw/zinc/71/47/65/902714765.db2.gz	SJIRTEWTWUOQRX-VIFPVBQESA-N	-1	0	290.323	0.610	20	30		CCEDRM
CCn1cc(CNC(=O)c2[n-]c(=O)c(C#N)cc2C)nn1	ZINC001413241769	902810670	/nfs/dbraw/zinc/81/06/70/902810670.db2.gz	BEEKKJWQCVWKHW-UHFFFAOYSA-N	-1	0	286.295	0.509	20	30		CCEDRM
N#CCc1ccccc1S(=O)(=O)[N-]N1CCCNC1=O	ZINC001413317840	902867924	/nfs/dbraw/zinc/86/79/24/902867924.db2.gz	MOWAMBMUSNZWOE-UHFFFAOYSA-N	-1	0	294.336	0.361	20	30		CCEDRM
C=CCOC[C@@H](CS(=O)(=O)[O-])OCC(C)(C)O	ZINC001206046198	903797290	/nfs/dbraw/zinc/79/72/90/903797290.db2.gz	UAIHGFWHZBGIOZ-VIFPVBQESA-N	-1	0	268.331	0.233	20	30		CCEDRM
C#CCO[C@@H](C)C(=O)NCc1cc(C(=O)[O-])c(C)o1	ZINC001332163838	904063468	/nfs/dbraw/zinc/06/34/68/904063468.db2.gz	DZOQZJRXYWYFLH-VIFPVBQESA-N	-1	0	265.265	0.941	20	30		CCEDRM
CC(C)C1(CNc2[n-]c(=O)n(C)c(=O)c2C#N)CC1	ZINC001337066461	921175544	/nfs/dbraw/zinc/17/55/44/921175544.db2.gz	HELSWKBYSDISPR-UHFFFAOYSA-N	-1	0	262.313	0.793	20	30		CCEDRM
C[C@H](CC#N)N(C)C(=O)CCCn1c(=O)[n-][nH]c1=O	ZINC001293071490	906399517	/nfs/dbraw/zinc/39/95/17/906399517.db2.gz	IYBXAEJMFHJKPW-MRVPVSSYSA-N	-1	0	267.289	0.230	20	30		CCEDRM
C=C(C)C[C@@H](NC(=O)C1CCS(=O)(=O)CC1)C(=O)[O-]	ZINC001335434161	906793225	/nfs/dbraw/zinc/79/32/25/906793225.db2.gz	UPSSDTAENDXILQ-SNVBAGLBSA-N	-1	0	289.353	0.347	20	30		CCEDRM
O=C(NCC#CCO)c1cc([O-])cc([N+](=O)[O-])c1	ZINC001297017673	906993100	/nfs/dbraw/zinc/99/31/00/906993100.db2.gz	ZWSJKDHTKLPTPY-UHFFFAOYSA-N	-1	0	250.210	0.026	20	30		CCEDRM
C=C[C@H]1CCCCN1C(=O)Cn1c(=O)[n-][nH]c1=O	ZINC001297230656	907042748	/nfs/dbraw/zinc/04/27/48/907042748.db2.gz	HCGMIBGCLJPYEC-QMMMGPOBSA-N	-1	0	252.274	0.256	20	30		CCEDRM
C[C@H]1CCCC[C@@H]1Nc1[n-]c(=O)n(C)c(=O)c1C#N	ZINC001337760415	921291821	/nfs/dbraw/zinc/29/18/21/921291821.db2.gz	UJHFNEWPMNVCHT-WPRPVWTQSA-N	-1	0	262.313	0.936	20	30		CCEDRM
C=C1CCC(C(=O)[N-]S(=O)(=O)CCOC)CC1	ZINC001337995548	921333414	/nfs/dbraw/zinc/33/34/14/921333414.db2.gz	WYCCSNBIRCNKDW-UHFFFAOYSA-N	-1	0	261.343	0.825	20	30		CCEDRM
Cc1nnc([S-])n(N=Cc2cccc(O)c2O)c1=O	ZINC001317785392	909493822	/nfs/dbraw/zinc/49/38/22/909493822.db2.gz	ALZZLJAHKGVRHQ-UHFFFAOYSA-N	-1	0	278.293	0.529	20	30		CCEDRM
COC(=O)c1cc(C=Nn2c(=O)c(C)n[n-]c2=S)c[nH]1	ZINC001319077417	909977722	/nfs/dbraw/zinc/97/77/22/909977722.db2.gz	HSKMKWAQETYBAY-UHFFFAOYSA-N	-1	0	293.308	0.232	20	30		CCEDRM
CC1(C#N)CCN(C(=O)CCCn2c(=O)[n-][nH]c2=O)CC1	ZINC001417692860	921540090	/nfs/dbraw/zinc/54/00/90/921540090.db2.gz	VATDYXWKKZWDCF-UHFFFAOYSA-N	-1	0	293.327	0.622	20	30		CCEDRM
N#CCCN(CC1CC1)C(=O)c1n[nH]c(=O)[n-]c1=O	ZINC001319630952	910236280	/nfs/dbraw/zinc/23/62/80/910236280.db2.gz	MLMKNEKRSWGJBN-UHFFFAOYSA-N	-1	0	263.257	0.049	20	30		CCEDRM
C=CCS(=O)(=O)[N-]C(=O)c1cc([N+](=O)[O-])ccc1NC	ZINC001319883887	910332495	/nfs/dbraw/zinc/33/24/95/910332495.db2.gz	OPSIYYGBNMUGCM-UHFFFAOYSA-N	-1	0	299.308	0.882	20	30		CCEDRM
C=CC[C@H](NC(=O)NCCCO[C@H]1CCOC1)C(=O)[O-]	ZINC001321109991	911092611	/nfs/dbraw/zinc/09/26/11/911092611.db2.gz	JQUITLBXGJCXAW-QWRGUYRKSA-N	-1	0	286.328	0.511	20	30		CCEDRM
C=CCCO[C@H](C)C(=O)[N-]S(=O)(=O)N(CC)CC	ZINC001321163185	911130384	/nfs/dbraw/zinc/13/03/84/911130384.db2.gz	SEANFVKLAVWNDU-SNVBAGLBSA-N	-1	0	278.374	0.670	20	30		CCEDRM
C=CC[C@H](NC(=O)c1ccc(C(N)=O)s1)C(=O)[O-]	ZINC001322600848	911876093	/nfs/dbraw/zinc/87/60/93/911876093.db2.gz	JPEKFENGNNYMJB-LURJTMIESA-N	-1	0	268.294	0.606	20	30		CCEDRM
C=CCN(CC(=O)[O-])C(=O)CCCCN1CCOCC1	ZINC001339524610	921750279	/nfs/dbraw/zinc/75/02/79/921750279.db2.gz	ZPQNEXIQBBDWAP-UHFFFAOYSA-N	-1	0	284.356	0.588	20	30		CCEDRM
N#CCCCCNC(=O)c1c[n-]n2c1nccc2=O	ZINC001328628512	915317890	/nfs/dbraw/zinc/31/78/90/915317890.db2.gz	QRFUCOSRXOIPTF-UHFFFAOYSA-N	-1	0	259.269	0.446	20	30		CCEDRM
C=C[C@](C)(O)C(=O)N[C@H]1CCOC2(CC(C(=O)[O-])C2)C1	ZINC001339568285	921762359	/nfs/dbraw/zinc/76/23/59/921762359.db2.gz	NKMVPRBFKHWYKZ-DZRVJSAWSA-N	-1	0	283.324	0.452	20	30		CCEDRM
C#CCN1CCN(C(=O)c2cc(C(=O)[O-])cnc2C)CC1	ZINC001339583364	921766148	/nfs/dbraw/zinc/76/61/48/921766148.db2.gz	FEWLFFVQLBQXCY-UHFFFAOYSA-N	-1	0	287.319	0.479	20	30		CCEDRM
N#Cc1ccc(CNC(=O)CCCc2nnn[n-]2)cc1F	ZINC001418019629	921767243	/nfs/dbraw/zinc/76/72/43/921767243.db2.gz	VJINGKWNEUFBTK-UHFFFAOYSA-N	-1	0	288.286	0.850	20	30		CCEDRM
C=CC[C@H](NC(=O)[C@H]1COCCN1C1CCCC1)C(=O)[O-]	ZINC001329213969	915748452	/nfs/dbraw/zinc/74/84/52/915748452.db2.gz	CGMLSXRWYPUADW-QWHCGFSZSA-N	-1	0	296.367	0.775	20	30		CCEDRM
C=CCn1c(-c2cc(=O)[nH][n-]2)nnc1N(C)CCCC	ZINC001339709660	921804648	/nfs/dbraw/zinc/80/46/48/921804648.db2.gz	HXUVBSKCNAWNNM-UHFFFAOYSA-N	-1	0	276.344	0.924	20	30		CCEDRM
C=CCOC[C@@H](NC(=O)c1cncnc1C)C(=O)[O-]	ZINC001330256091	916510538	/nfs/dbraw/zinc/51/05/38/916510538.db2.gz	YRQBMNQUCVSUKC-SNVBAGLBSA-N	-1	0	265.269	0.171	20	30		CCEDRM
C=CCCN(C)C(=O)C(=O)N[C@H]1C[C@H](C(=O)[O-])C1	ZINC001331536705	917404966	/nfs/dbraw/zinc/40/49/66/917404966.db2.gz	WRGUODMGAPTPJO-KYZUINATSA-N	-1	0	254.286	0.000	20	30		CCEDRM
C=C[C@@H](COC)[N-]S(=O)(=O)c1occc1C(=O)OC	ZINC001331988094	917784225	/nfs/dbraw/zinc/78/42/25/917784225.db2.gz	YYKUAKHOBYBMLC-QMMMGPOBSA-N	-1	0	289.309	0.546	20	30		CCEDRM
C=CC[C@@H](NC(=O)N[C@@H](C)c1ccn(C)n1)C(=O)[O-]	ZINC001332490663	918213818	/nfs/dbraw/zinc/21/38/18/918213818.db2.gz	XWOHLNFZTKXGTN-WCBMZHEXSA-N	-1	0	266.301	0.810	20	30		CCEDRM
C#CC[C@H](COC)NC(=O)C(=O)[N-]OCc1ccccc1	ZINC001333169578	918706279	/nfs/dbraw/zinc/70/62/79/918706279.db2.gz	OALBASCEAMTBIV-CYBMUJFWSA-N	-1	0	290.319	0.389	20	30		CCEDRM
C=C(C)CN(CC)C(=O)C(=O)NCCCCC(=O)[O-]	ZINC001333331153	918807615	/nfs/dbraw/zinc/80/76/15/918807615.db2.gz	PPDQKLJWKHSQCX-UHFFFAOYSA-N	-1	0	270.329	0.782	20	30		CCEDRM
C#CCCCC(=O)[N-]S(=O)(=O)CC[C@@H]1CCCO1	ZINC001333697174	919103362	/nfs/dbraw/zinc/10/33/62/919103362.db2.gz	FSXBKHHMKVORQX-NSHDSACASA-N	-1	0	273.354	0.805	20	30		CCEDRM
COC(=O)Cc1ccccc1Cn1c(=O)[n-]cc(C#N)c1=O	ZINC001413927452	919198776	/nfs/dbraw/zinc/19/87/76/919198776.db2.gz	DSWUBIPPZQIEQA-UHFFFAOYSA-N	-1	0	299.286	0.172	20	30		CCEDRM
C#CCCc1cc(=O)n(C2CCS(=O)(=O)CC2)[n-]1	ZINC001333841301	919203188	/nfs/dbraw/zinc/20/31/88/919203188.db2.gz	OJYDAZNUYRCVFH-UHFFFAOYSA-N	-1	0	268.338	0.565	20	30		CCEDRM
C=CC(C)(C)CCNC(=O)C(=O)[N-]OC[C@H]1CCOC1	ZINC001336556528	920836742	/nfs/dbraw/zinc/83/67/42/920836742.db2.gz	LIZOGAPMPGDUPM-NSHDSACASA-N	-1	0	284.356	0.789	20	30		CCEDRM
Cn1c(=O)[n-]c(N[C@@H]2C[C@H]3CCC[C@@H]32)c(C#N)c1=O	ZINC001336741189	920972662	/nfs/dbraw/zinc/97/26/62/920972662.db2.gz	XEGACPKXSVRKKE-KHQFGBGNSA-N	-1	0	260.297	0.546	20	30		CCEDRM
C#C[C@@H](C)N(C)c1nnc(-c2cc(=O)n(C)[n-]2)n1C	ZINC001339841014	921847483	/nfs/dbraw/zinc/84/74/83/921847483.db2.gz	TVUWAPDSKBWZJM-MRVPVSSYSA-N	-1	0	260.301	0.379	20	30		CCEDRM
CCOC(=O)c1cc(C(=O)[N-]c2n[nH]cc2C#N)on1	ZINC001418146312	921855726	/nfs/dbraw/zinc/85/57/26/921855726.db2.gz	ZENYWSHQUWAPRU-UHFFFAOYSA-N	-1	0	275.224	0.698	20	30		CCEDRM
C[C@@H](c1cccc(C#N)c1)N(C)C(=O)c1n[nH]c(=O)[n-]c1=O	ZINC001418142720	921858299	/nfs/dbraw/zinc/85/82/99/921858299.db2.gz	MLJXXHDWNRBFDJ-QMMMGPOBSA-N	-1	0	299.290	0.988	20	30		CCEDRM
COc1cc(C([O-])=C(C#N)C(=O)NC2CC2)nn1C	ZINC001343464468	923329331	/nfs/dbraw/zinc/32/93/31/923329331.db2.gz	YOPRWTKRWNJYTN-QMMMGPOBSA-N	-1	0	262.269	0.030	20	30		CCEDRM
C=CCNC(=O)C(C#N)=C([O-])c1cc2n(n1)CCCC2	ZINC001343510158	923356797	/nfs/dbraw/zinc/35/67/97/923356797.db2.gz	OMRLCMDWNPNDLH-LLVKDONJSA-N	-1	0	272.308	0.844	20	30		CCEDRM
Cn1cc(C(=O)[O-])cc1C=NNCCCN1CCOCC1	ZINC001345054435	923777762	/nfs/dbraw/zinc/77/77/62/923777762.db2.gz	NTVWOQMXJXEUFO-UHFFFAOYSA-N	-1	0	294.355	0.369	20	30		CCEDRM
Cn1ccnc1C(=O)C(C#N)=C([O-])c1c2c(nn1C)CCC2	ZINC001345063423	923781126	/nfs/dbraw/zinc/78/11/26/923781126.db2.gz	YJXCXPZYRRMFHU-JTQLQIEISA-N	-1	0	297.318	0.848	20	30		CCEDRM
C=CC[C@H](NS(=O)(=O)c1ccc(N(C)C)nc1)C(=O)[O-]	ZINC001345781484	923976789	/nfs/dbraw/zinc/97/67/89/923976789.db2.gz	RZQDGSBSKYAZBK-JTQLQIEISA-N	-1	0	299.352	0.455	20	30		CCEDRM
C=CCNC(=O)C(C#N)=C([O-])c1cn(C)nc1OC	ZINC001346239454	924127767	/nfs/dbraw/zinc/12/77/67/924127767.db2.gz	KMDNDMNXXUMZHQ-MRVPVSSYSA-N	-1	0	262.269	0.053	20	30		CCEDRM
C=C(C)[C@H]1OCC[C@H]1CNC(=O)c1c[n-]ncc1=O	ZINC001347060561	924360901	/nfs/dbraw/zinc/36/09/01/924360901.db2.gz	MEWWBCRUSSWSLS-JOYOIKCWSA-N	-1	0	263.297	0.893	20	30		CCEDRM
C=C(C)[C@H]1OCC[C@@H]1CNC(=O)c1c[n-]ncc1=O	ZINC001347060558	924361698	/nfs/dbraw/zinc/36/16/98/924361698.db2.gz	MEWWBCRUSSWSLS-BXKDBHETSA-N	-1	0	263.297	0.893	20	30		CCEDRM
C=CCCC(C)(C)CNC(=O)C(=O)NCCC(=O)[O-]	ZINC001349947718	925103891	/nfs/dbraw/zinc/10/38/91/925103891.db2.gz	RPHFOAUSUCAUHQ-UHFFFAOYSA-N	-1	0	270.329	0.686	20	30		CCEDRM
C=CCCO[C@H](C)C(=O)NC[C@H](C(=O)[O-])[C@H]1CCOC1	ZINC001349983993	925109200	/nfs/dbraw/zinc/10/92/00/925109200.db2.gz	AWOUVDMDPHXYLJ-WOPDTQHZSA-N	-1	0	285.340	0.821	20	30		CCEDRM
N#C[C@@]1(C(=O)NC2CC(CC(=O)[O-])C2)CCCOC1	ZINC001350903230	925307625	/nfs/dbraw/zinc/30/76/25/925307625.db2.gz	MQUYBNMJKQWPFY-ZPPKWKGLSA-N	-1	0	266.297	0.676	20	30		CCEDRM
C=CCO[C@H]1CCN(C(=O)[C@H]2CC[C@@H](C(=O)[O-])O2)C1	ZINC001351729409	925462965	/nfs/dbraw/zinc/46/29/65/925462965.db2.gz	NYEODNHNGLJDFH-AXFHLTTASA-N	-1	0	269.297	0.422	20	30		CCEDRM
C=CCn1c(-c2cc(=O)[nH][n-]2)nnc1N1CCC(C)CC1	ZINC001351851759	925484956	/nfs/dbraw/zinc/48/49/56/925484956.db2.gz	MCABFJLTPPQOOE-UHFFFAOYSA-N	-1	0	288.355	0.924	20	30		CCEDRM
C=CC[C@@H](NC(=O)NCc1cn(C)cn1)C(=O)[O-]	ZINC001355415114	926256412	/nfs/dbraw/zinc/25/64/12/926256412.db2.gz	AGNVYVLOXCRRPT-SECBINFHSA-N	-1	0	252.274	0.249	20	30		CCEDRM
CCc1cc(C([O-])=C(C#N)C(=O)N2CCCC2)nn1C	ZINC001356058454	926338986	/nfs/dbraw/zinc/33/89/86/926338986.db2.gz	BPHXEZPJMRETKQ-NSHDSACASA-N	-1	0	274.324	0.927	20	30		CCEDRM
C=CCOC[C@H](NCc1c(Cl)cnn1C)C(=O)[O-]	ZINC001356114412	926346455	/nfs/dbraw/zinc/34/64/55/926346455.db2.gz	UYENUGATYFGFPR-VIFPVBQESA-N	-1	0	273.720	0.819	20	30		CCEDRM
C=CC[C@@H](NC(=O)CCn1ccccc1=O)C(=O)[O-]	ZINC000150259686	926948268	/nfs/dbraw/zinc/94/82/68/926948268.db2.gz	VDOMYIYZVMXGFJ-SNVBAGLBSA-N	-1	0	264.281	0.384	20	30		CCEDRM
Cc1cc(C#N)c(=O)[n-]c1C(=O)N1CCNC(=O)C[C@@H]1C	ZINC001362152262	927668790	/nfs/dbraw/zinc/66/87/90/927668790.db2.gz	YBVWTHIYTSETHU-VIFPVBQESA-N	-1	0	288.307	0.318	20	30		CCEDRM
CC[C@H]1CCC[C@@H]1NC(=O)Cn1cc(C#N)c(=O)[n-]c1=O	ZINC001362226598	927748937	/nfs/dbraw/zinc/74/89/37/927748937.db2.gz	RVBXAXDCPIQNRQ-ONGXEEELSA-N	-1	0	290.323	0.515	20	30		CCEDRM
Cc1cc(C#N)c(=O)[n-]c1C(=O)N[C@@H]1C(=O)NCC[C@H]1C	ZINC001362434251	928014811	/nfs/dbraw/zinc/01/48/11/928014811.db2.gz	GPATUEKTGZFHNH-XCBNKYQSSA-N	-1	0	288.307	0.222	20	30		CCEDRM
Cc1cc(C#N)c(=O)[n-]c1C(=O)N1CCc2[nH]cnc2C1	ZINC001362500603	928103984	/nfs/dbraw/zinc/10/39/84/928103984.db2.gz	AGOAWMXOPHRSSY-UHFFFAOYSA-N	-1	0	283.291	0.889	20	30		CCEDRM
CS[C@@H](C)CNC(=O)CCn1cc(C#N)c(=O)[n-]c1=O	ZINC001362545740	928159458	/nfs/dbraw/zinc/15/94/58/928159458.db2.gz	WOCYIYNEMUYMPL-QMMMGPOBSA-N	-1	0	296.352	0.078	20	30		CCEDRM
N#Cc1ccc(C(=O)N2CC[C@H](O)[C@H](CO)C2)cc1O	ZINC001362595029	928223778	/nfs/dbraw/zinc/22/37/78/928223778.db2.gz	ZZZQREPHDUAONR-RYUDHWBXSA-N	-1	0	276.292	0.079	20	30		CCEDRM
CNc1ccc(C#N)cc1NC(=O)Cn1c(=O)[n-][nH]c1=O	ZINC001362727546	928416565	/nfs/dbraw/zinc/41/65/65/928416565.db2.gz	KEBKGKFSNIGGDR-UHFFFAOYSA-N	-1	0	288.267	0.241	20	30		CCEDRM
CN(Cc1nc(=O)o[n-]1)C(=O)c1sccc1CC#N	ZINC001363141847	928913714	/nfs/dbraw/zinc/91/37/14/928913714.db2.gz	PPYZZIRGLPUXNU-UHFFFAOYSA-N	-1	0	278.293	0.763	20	30		CCEDRM
Cc1cc(=O)[nH]c(N2CC[C@H](NC(=O)C(C)(C)C#N)C2)n1	ZINC001363398163	929183591	/nfs/dbraw/zinc/18/35/91/929183591.db2.gz	ATCIYQQUCFYFGP-JTQLQIEISA-N	-1	0	289.339	0.735	20	30		CCEDRM
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C[C@H]1CNc2c(C(=O)Nc3nc(C#N)c(C#N)[n-]3)cnn2C1	ZINC001363644540	929449571	/nfs/dbraw/zinc/44/95/71/929449571.db2.gz	QYJQLUYBOKRQCV-ZETCQYMHSA-N	-1	0	296.294	0.663	20	30		CCEDRM
Cc1nc(CNc2[n-]c(=O)n(C)c(=O)c2C#N)oc1C	ZINC001363739145	929536798	/nfs/dbraw/zinc/53/67/98/929536798.db2.gz	ARJRYUAUXBRHBW-UHFFFAOYSA-N	-1	0	275.268	0.162	20	30		CCEDRM
C[C@H]1CN(Cc2cc(=O)n3[n-]cc(C#N)c3n2)CCC1=O	ZINC001363788800	929575657	/nfs/dbraw/zinc/57/56/57/929575657.db2.gz	HGGOZVSKPVKZJQ-VIFPVBQESA-N	-1	0	285.307	0.717	20	30		CCEDRM
C[C@H]1CCC[C@@](C#N)(NC(=O)Cn2c(=O)[n-][nH]c2=O)C1	ZINC001444614272	929915309	/nfs/dbraw/zinc/91/53/09/929915309.db2.gz	UQGGCDONJNLSKH-QPUJVOFHSA-N	-1	0	279.300	0.278	20	30		CCEDRM
Cc1ncc(NC(=O)Cn2cc(C#N)c(=O)[n-]c2=O)s1	ZINC001446548267	930435651	/nfs/dbraw/zinc/43/56/51/930435651.db2.gz	BSFQNZAMDFSUBQ-UHFFFAOYSA-N	-1	0	291.292	0.224	20	30		CCEDRM
N#Cc1sccc1C(=O)NCCc1nc(=O)o[n-]1	ZINC001448631007	930930678	/nfs/dbraw/zinc/93/06/78/930930678.db2.gz	RNIKJWLTBUPVEU-UHFFFAOYSA-N	-1	0	264.266	0.269	20	30		CCEDRM
N#C[C@H](CO)NC(=O)c1cc(Cl)cc([N+](=O)[O-])c1[O-]	ZINC001449520419	931150561	/nfs/dbraw/zinc/15/05/61/931150561.db2.gz	NOEMOIXUONBGIK-ZCFIWIBFSA-N	-1	0	285.643	0.568	20	30		CCEDRM
CN(CC(=O)[O-])C(=O)[C@@H](C#N)Cc1ccc(C#N)cc1	ZINC001610908465	970785139	/nfs/dbraw/zinc/78/51/39/970785139.db2.gz	ONPUCSVOMWQUTJ-GFCCVEGCSA-N	-1	0	271.276	0.784	20	30		CCEDRM
COC(=O)[C@@]1(C)CCCN(C(=O)[C@](C)(C#N)CC(=O)[O-])C1	ZINC001610964949	970812357	/nfs/dbraw/zinc/81/23/57/970812357.db2.gz	NCTIROVFHFXRRA-KBPBESRZSA-N	-1	0	296.323	0.793	20	30		CCEDRM
N#CCCCCS(=O)(=O)N[C@H]1CCC[C@H]1C(=O)[O-]	ZINC001601065924	970927372	/nfs/dbraw/zinc/92/73/72/970927372.db2.gz	WAEHGPZQZYBROA-ZJUUUORDSA-N	-1	0	274.342	0.853	20	30		CCEDRM
C#C[C@H](NC(=O)N(C)CCC(=O)[O-])C1CCOCC1	ZINC001602672268	971236126	/nfs/dbraw/zinc/23/61/26/971236126.db2.gz	IYRJYHYUCCRRRM-NSHDSACASA-N	-1	0	268.313	0.531	20	30		CCEDRM
C#CCC1(OC(=O)[C@H]2CCCN(CC(=O)[O-])C2=O)CCC1	ZINC001602675524	971250753	/nfs/dbraw/zinc/25/07/53/971250753.db2.gz	YFMQNAJHLQYNMJ-NSHDSACASA-N	-1	0	293.319	0.799	20	30		CCEDRM
C#C[C@H]1CCCN(CN2C[C@H](C(=O)[O-])CC2=O)C1	ZINC001602675356	971247660	/nfs/dbraw/zinc/24/76/60/971247660.db2.gz	RUVLQVJXNMEGKG-WDEREUQCSA-N	-1	0	250.298	0.222	20	30		CCEDRM
C#CCN(CC(=O)[O-])C(=O)C[C@H](OCC)C(=C)C	ZINC001602682314	971267786	/nfs/dbraw/zinc/26/77/86/971267786.db2.gz	MRBHZASKKMWTNL-NSHDSACASA-N	-1	0	253.298	0.904	20	30		CCEDRM
C#CCN(CC(=O)[O-])C(=O)CCc1cn(C)nc1C	ZINC001602682371	971268728	/nfs/dbraw/zinc/26/87/28/971268728.db2.gz	OKDVHOTZDLFTGW-UHFFFAOYSA-N	-1	0	263.297	0.208	20	30		CCEDRM
C#CCN(CC(=O)[O-])C(=O)[C@H]1CCCCN1C(=O)CC	ZINC001602682663	971269837	/nfs/dbraw/zinc/26/98/37/971269837.db2.gz	SAZKMQXVJKUYQP-LLVKDONJSA-N	-1	0	280.324	0.324	20	30		CCEDRM
C#CCN(CC(=O)[O-])C(=O)CSCc1ccncc1	ZINC001602683920	971276791	/nfs/dbraw/zinc/27/67/91/971276791.db2.gz	MCCFMAUVDWVBGN-UHFFFAOYSA-N	-1	0	278.333	0.861	20	30		CCEDRM
C#CCN(CC(=O)[O-])C(=O)Cc1cccc(OCC#N)c1	ZINC001602684282	971280211	/nfs/dbraw/zinc/28/02/11/971280211.db2.gz	UGGKTTAHMJZLIC-UHFFFAOYSA-N	-1	0	286.287	0.678	20	30		CCEDRM
C#CCN(CC(=O)[O-])C(=O)c1cc([N+](=O)[O-])cnc1C	ZINC001602691170	971293321	/nfs/dbraw/zinc/29/33/21/971293321.db2.gz	ADXXLXGJKCPCCX-UHFFFAOYSA-N	-1	0	277.236	0.458	20	30		CCEDRM
C#CCN(CC(=O)[O-])C(=O)c1c2ccccc2nn1C	ZINC001602691286	971294320	/nfs/dbraw/zinc/29/43/20/971294320.db2.gz	FIECDVBUUUORLO-UHFFFAOYSA-N	-1	0	271.276	0.733	20	30		CCEDRM
C#CCN(CC(=O)[O-])C(=O)c1ccccc1[S@](=O)CC	ZINC001602692100	971300698	/nfs/dbraw/zinc/30/06/98/971300698.db2.gz	FNFMHBRYAWPIGH-HXUWFJFHSA-N	-1	0	293.344	0.974	20	30		CCEDRM
C#CCn1ccc(CN(CCOC)[C@@H](C)C(=O)[O-])n1	ZINC001602704526	971335171	/nfs/dbraw/zinc/33/51/71/971335171.db2.gz	JSNBLERQNYWXBL-NSHDSACASA-N	-1	0	265.313	0.438	20	30		CCEDRM
C=C(C)COCCn1nnnc1N1CC[C@H](C(=O)[O-])C1	ZINC001602709747	971347526	/nfs/dbraw/zinc/34/75/26/971347526.db2.gz	JKZIAUJVDZSOQG-JTQLQIEISA-N	-1	0	281.316	0.177	20	30		CCEDRM
C=CCONC(=O)NC[C@H]1CCC2(CC(C(=O)[O-])C2)O1	ZINC001602728866	971397721	/nfs/dbraw/zinc/39/77/21/971397721.db2.gz	LFJYALWITWNMGR-RUETXSTFSA-N	-1	0	284.312	0.816	20	30		CCEDRM
CC#CCCNc1cnc(C#N)c(-c2nnn[n-]2)n1	ZINC001573358661	947668105	/nfs/dbraw/zinc/66/81/05/947668105.db2.gz	OLICVIBHGZEHFX-UHFFFAOYSA-N	-1	0	254.257	0.354	20	30		CCEDRM
CC#CC[C@H](CO)NC(=O)[C@@]1(C(=O)[O-])CC=CCC1	ZINC001602735162	971416701	/nfs/dbraw/zinc/41/67/01/971416701.db2.gz	UOJYNLCQIDAVCD-BXUZGUMPSA-N	-1	0	265.309	0.688	20	30		CCEDRM
C[C@](C#N)(CC(=O)[O-])C(=O)N1CCC[C@@H](CO)CC1	ZINC001602778260	971511549	/nfs/dbraw/zinc/51/15/49/971511549.db2.gz	FCCJALHSZKQEQG-ZWNOBZJWSA-N	-1	0	268.313	0.612	20	30		CCEDRM
C[C@](C#N)(CC(=O)[O-])C(=O)OCC(=O)[C@H]1CCOC1	ZINC001602782561	971529568	/nfs/dbraw/zinc/52/95/68/971529568.db2.gz	WBBNXNSPKVGAMC-QPUJVOFHSA-N	-1	0	269.253	0.140	20	30		CCEDRM
C#CCN(CC(=O)[O-])C(=O)[C@H]1CC(=O)N(CC(C)C)C1	ZINC000092477860	949147076	/nfs/dbraw/zinc/14/70/76/949147076.db2.gz	GXONAQVQRCZECL-NSHDSACASA-N	-1	0	280.324	0.037	20	30		CCEDRM
C#CCN(CC(=O)[O-])C(=O)COc1ccccc1OC	ZINC000092478040	949147173	/nfs/dbraw/zinc/14/71/73/949147173.db2.gz	LMUFBBLGHMPJRX-UHFFFAOYSA-N	-1	0	277.276	0.620	20	30		CCEDRM
C#CCN(CC(=O)[O-])[C@H](C)C(=O)NC(CC)CC	ZINC000092482343	949155203	/nfs/dbraw/zinc/15/52/03/949155203.db2.gz	AMBJLPBTDUQKIJ-SNVBAGLBSA-N	-1	0	254.330	0.700	20	30		CCEDRM
C#CCN(CC(=O)[O-])CC(=O)N1CCC[C@@H](C)C1	ZINC000092483285	949157236	/nfs/dbraw/zinc/15/72/36/949157236.db2.gz	OLASMLRQAMOQBZ-LLVKDONJSA-N	-1	0	252.314	0.265	20	30		CCEDRM
C#CCN(CC(=O)[O-])C(=O)N[C@@H]1CCC[C@H]1OC	ZINC000092491324	949158712	/nfs/dbraw/zinc/15/87/12/949158712.db2.gz	FNQPPBDKWRSBOW-NXEZZACHSA-N	-1	0	254.286	0.283	20	30		CCEDRM
C#CCN(CC(=O)[O-])C(=O)c1cc(F)ccc1O	ZINC000128536658	949276813	/nfs/dbraw/zinc/27/68/13/949276813.db2.gz	SLURSBQMSUMWEW-UHFFFAOYSA-N	-1	0	251.213	0.691	20	30		CCEDRM
CN(C(=O)[C@@H]1CC(C(=O)[O-])=NO1)c1cccc(C#N)c1	ZINC000230759941	949713224	/nfs/dbraw/zinc/71/32/24/949713224.db2.gz	BBIPLVZNIWXRNW-NSHDSACASA-N	-1	0	273.248	0.751	20	30		CCEDRM
C=C(Br)CNC(=O)[C@@H]1CC(C(=O)[O-])=NO1	ZINC000230763037	949724923	/nfs/dbraw/zinc/72/49/23/949724923.db2.gz	ICAQZZSHIJLDPB-LURJTMIESA-N	-1	0	277.074	0.241	20	30		CCEDRM
CCN(C[C@@H](C)OC)C(=O)[C@](C)(C#N)CC(=O)[O-]	ZINC001589719692	950404349	/nfs/dbraw/zinc/40/43/49/950404349.db2.gz	GTZYKHBLNWLIRG-SKDRFNHKSA-N	-1	0	256.302	0.874	20	30		CCEDRM
CCN(C[C@H](C)C#N)C(=O)CN1CCC[C@]1(C)C(=O)[O-]	ZINC001589720444	950415959	/nfs/dbraw/zinc/41/59/59/950415959.db2.gz	POORNBOIQYODOS-BXUZGUMPSA-N	-1	0	281.356	0.934	20	30		CCEDRM
CCOc1cc(C#N)ccc1OC(=O)[C@@H](OC)C(=O)[O-]	ZINC001592009702	951294055	/nfs/dbraw/zinc/29/40/55/951294055.db2.gz	VYBOMJCVXNHXJM-NSHDSACASA-N	-1	0	279.248	0.962	20	30		CCEDRM
O=C([O-])CCCC(=O)NCC#C[C@H]1CCCCO1	ZINC001595025629	951349166	/nfs/dbraw/zinc/34/91/66/951349166.db2.gz	HWVQTSPESWPTJW-LLVKDONJSA-N	-1	0	253.298	0.930	20	30		CCEDRM
C[C@H]1CCN(Cn2cccc(C#N)c2=O)C[C@@H]1C(=O)[O-]	ZINC001589356061	954144676	/nfs/dbraw/zinc/14/46/76/954144676.db2.gz	YUGGJGRBKNMYFO-JQWIXIFHSA-N	-1	0	275.308	0.720	20	30		CCEDRM
CC[C@H](C(=O)[O-])N(C)CC(=O)N[C@](C)(C#N)C1CC1	ZINC001589440615	954706644	/nfs/dbraw/zinc/70/66/44/954706644.db2.gz	AMXWOXUHNFDIGO-ZWNOBZJWSA-N	-1	0	267.329	0.590	20	30		CCEDRM
CC[C@@](C)(C#N)C(=O)N[C@H]1CCCCN(CC(=O)[O-])C1=O	ZINC001589447914	954781234	/nfs/dbraw/zinc/78/12/34/954781234.db2.gz	RGSQBVCRUBVKRE-HZMBPMFUSA-N	-1	0	295.339	0.508	20	30		CCEDRM
COC(=O)[C@@]1(C)CN(C(=O)[C@@](C)(C#N)CC(=O)[O-])C[C@@H]1C	ZINC001593862594	955557041	/nfs/dbraw/zinc/55/70/41/955557041.db2.gz	NMMGKYIVWVQFEP-FZZIBODNSA-N	-1	0	296.323	0.649	20	30		CCEDRM
Cn1cc([C@H]2C[C@H](C(=O)[O-])CN(CCC#N)C2)cn1	ZINC001594538146	955598807	/nfs/dbraw/zinc/59/88/07/955598807.db2.gz	QPRVNHIKOLIQMC-QWRGUYRKSA-N	-1	0	262.313	0.824	20	30		CCEDRM
CO[C@H](C(=O)[O-])C(=O)N(C)c1ccc(C#N)cc1F	ZINC001593900939	955867516	/nfs/dbraw/zinc/86/75/16/955867516.db2.gz	PTDQMSOAUMIWIG-JTQLQIEISA-N	-1	0	266.228	0.760	20	30		CCEDRM
C[C@H](NC(=O)[C@@H]1CC(C(=O)[O-])=NO1)c1ccc(C#N)cc1	ZINC001589091318	955941932	/nfs/dbraw/zinc/94/19/32/955941932.db2.gz	BHSMRZAUSCSJMR-UFBFGSQYSA-N	-1	0	287.275	0.965	20	30		CCEDRM
CO[C@@H](C(=O)[O-])C(=O)NCc1ccc(C)c(C#N)c1	ZINC001593907837	955945132	/nfs/dbraw/zinc/94/51/32/955945132.db2.gz	AACLVDOKVDJSGE-LLVKDONJSA-N	-1	0	262.265	0.583	20	30		CCEDRM
Cn1nccc1[C@@H](NC(=O)c1cscc1C#N)C(=O)[O-]	ZINC001594590521	956055562	/nfs/dbraw/zinc/05/55/62/956055562.db2.gz	QYXJZOZNPONRFT-SNVBAGLBSA-N	-1	0	290.304	0.909	20	30		CCEDRM
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C[C@@](O)(CNC(=O)CCc1ccc(C#N)cc1)C(=O)[O-]	ZINC001589139645	956261211	/nfs/dbraw/zinc/26/12/11/956261211.db2.gz	YNBAYBKSCJGVQJ-CQSZACIVSA-N	-1	0	276.292	0.443	20	30		CCEDRM
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C[C@H](CN(C)C(=O)C(=O)N1CCC(C)(C#N)CC1)C(=O)[O-]	ZINC001603144770	972240483	/nfs/dbraw/zinc/24/04/83/972240483.db2.gz	FRGHJOURLNTHRP-SNVBAGLBSA-N	-1	0	295.339	0.318	20	30		CCEDRM
Cc1cc(C#N)cc(NC(=O)C(=O)NCC(=O)[O-])c1	ZINC001594274058	957701399	/nfs/dbraw/zinc/70/13/99/957701399.db2.gz	NRAHCIBILSWRFR-UHFFFAOYSA-N	-1	0	261.237	0.006	20	30		CCEDRM
COCCN(CCC#N)C(=O)c1cccc(C(=O)[O-])n1	ZINC000071232711	957709393	/nfs/dbraw/zinc/70/93/93/957709393.db2.gz	IAQABJRUEOJPAC-UHFFFAOYSA-N	-1	0	277.280	0.782	20	30		CCEDRM
COc1cc(C#N)ccc1C(=O)NCCOCC(=O)[O-]	ZINC001594049287	957964764	/nfs/dbraw/zinc/96/47/64/957964764.db2.gz	MOKPXWLFXCYVEM-UHFFFAOYSA-N	-1	0	278.264	0.398	20	30		CCEDRM
C#C[C@H]1CCCCN1C(=O)C(=O)NC[C@@H](CC)C(=O)[O-]	ZINC001588385983	957974615	/nfs/dbraw/zinc/97/46/15/957974615.db2.gz	MLAVVAUWQCIJKK-MNOVXSKESA-N	-1	0	280.324	0.228	20	30		CCEDRM
C#C[C@@H](NC(=O)N1CCO[C@@](COC)(C(=O)[O-])C1)C(C)C	ZINC001588387013	957984007	/nfs/dbraw/zinc/98/40/07/957984007.db2.gz	XCOMGRHEQJCHNU-RISCZKNCSA-N	-1	0	298.339	0.156	20	30		CCEDRM
C#CCC(C)(C)C(=O)N1C[C@H]2COC[C@@]2(C(=O)[O-])C1	ZINC001588388813	958001495	/nfs/dbraw/zinc/00/14/95/958001495.db2.gz	HDTNDVOJXLCNMP-HZMBPMFUSA-N	-1	0	265.309	0.596	20	30		CCEDRM
C#CC[C@@H](COC)OC(=O)c1ccc(C(=O)[O-])nc1	ZINC001588388924	958001829	/nfs/dbraw/zinc/00/18/29/958001829.db2.gz	ILZTXCITJMPOMQ-JTQLQIEISA-N	-1	0	263.249	0.975	20	30		CCEDRM
C#CC[C@@H](CCOC)NC(=O)N1CCC(C(=O)[O-])CC1	ZINC001588388913	958001909	/nfs/dbraw/zinc/00/19/09/958001909.db2.gz	IJLKESKBMDVEAD-LBPRGKRZSA-N	-1	0	282.340	0.921	20	30		CCEDRM
C#CCC[C@H](C)OC(=O)c1cccn(CC(=O)[O-])c1=O	ZINC001588391243	958020689	/nfs/dbraw/zinc/02/06/89/958020689.db2.gz	DIBBAYJILXXAQB-JTQLQIEISA-N	-1	0	277.276	0.892	20	30		CCEDRM
C#CCCC[C@H](C)OC(=O)c1cn(CC(=O)[O-])nn1	ZINC001588391621	958025346	/nfs/dbraw/zinc/02/53/46/958025346.db2.gz	KHGGDEGJHKDOIX-VIFPVBQESA-N	-1	0	265.269	0.712	20	30		CCEDRM
C#CCC[C@H](O)CNC(=O)/C=C\c1ccc(C(=O)[O-])o1	ZINC001588391744	958026502	/nfs/dbraw/zinc/02/65/02/958026502.db2.gz	NAWFGYKIEMAQBO-ZEBCKKTISA-N	-1	0	277.276	0.882	20	30		CCEDRM
C#CCC1(NC(=O)[C@@H]2CC[C@H]2C(=O)[O-])CCOCC1	ZINC001588392121	958030504	/nfs/dbraw/zinc/03/05/04/958030504.db2.gz	SRKQGIKDAHREGV-GHMZBOCLSA-N	-1	0	265.309	0.786	20	30		CCEDRM
C#CC[C@H]1NC(=O)N(CC(CC)(CC)C(=O)[O-])C1=O	ZINC001588392377	958032495	/nfs/dbraw/zinc/03/24/95/958032495.db2.gz	YOXSDXGIJPSDAK-SECBINFHSA-N	-1	0	266.297	0.821	20	30		CCEDRM
C#CCN(CC(=O)[O-])C(=O)[C@H](C)OC[C@H]1CCCCO1	ZINC001588397321	958053783	/nfs/dbraw/zinc/05/37/83/958053783.db2.gz	DLUHHJXUZPVDFQ-NWDGAFQWSA-N	-1	0	283.324	0.507	20	30		CCEDRM
C#CCN(CC(=O)[O-])C(=O)[C@@H](C)OC[C@@H]1CCCCO1	ZINC001588397320	958054889	/nfs/dbraw/zinc/05/48/89/958054889.db2.gz	DLUHHJXUZPVDFQ-NEPJUHHUSA-N	-1	0	283.324	0.507	20	30		CCEDRM
C#CCN(CC(=O)[O-])C(=O)[C@@H]1CC(=O)N([C@@H](C)CCC)C1	ZINC001588398669	958068315	/nfs/dbraw/zinc/06/83/15/958068315.db2.gz	BCPQWGSPPQDZSE-NWDGAFQWSA-N	-1	0	294.351	0.570	20	30		CCEDRM
C#CCN(CC(=O)[O-])C(=O)[C@H]1CC(=O)N([C@@H](C)CCC)C1	ZINC001588398672	958068331	/nfs/dbraw/zinc/06/83/31/958068331.db2.gz	BCPQWGSPPQDZSE-RYUDHWBXSA-N	-1	0	294.351	0.570	20	30		CCEDRM
C#CCN(CC(=O)[O-])C(=O)N[C@H](C#C)C1CCOCC1	ZINC001588406773	958096835	/nfs/dbraw/zinc/09/68/35/958096835.db2.gz	DYDMACPMGGUGNI-GFCCVEGCSA-N	-1	0	278.308	0.144	20	30		CCEDRM
C#CCN(CC(=O)[O-])C(=O)NCc1ccc([C@@H](C)O)cc1	ZINC001588408820	958117809	/nfs/dbraw/zinc/11/78/09/958117809.db2.gz	GYSUUXXQODWLQU-LLVKDONJSA-N	-1	0	290.319	0.969	20	30		CCEDRM
C=CCn1cc(CNCc2cc(C(=O)[O-])nn2C)nn1	ZINC001352203785	958123455	/nfs/dbraw/zinc/12/34/55/958123455.db2.gz	LWNCJHPEPAOQNH-UHFFFAOYSA-N	-1	0	276.300	0.186	20	30		CCEDRM
C#CCN(CC(=O)[O-])C(=O)[C@@H](O)Cc1ccccc1	ZINC001588417614	958176366	/nfs/dbraw/zinc/17/63/66/958176366.db2.gz	ZEOLZGCPGAZEIO-LBPRGKRZSA-N	-1	0	261.277	0.136	20	30		CCEDRM
C#CCN(CC(=O)[O-])C(=O)c1cncc2nc[nH]c21	ZINC001588418428	958179586	/nfs/dbraw/zinc/17/95/86/958179586.db2.gz	FUNHXBQEKKFLRS-UHFFFAOYSA-N	-1	0	258.237	0.118	20	30		CCEDRM
C#CCN(CC(=O)[O-])C(=O)c1sccc1CC#N	ZINC001588418536	958180775	/nfs/dbraw/zinc/18/07/75/958180775.db2.gz	KXPHHGFMPWYVAM-UHFFFAOYSA-N	-1	0	262.290	0.974	20	30		CCEDRM
C#CCN(CC(=O)[O-])C(=O)c1scnc1CC	ZINC001588418640	958182645	/nfs/dbraw/zinc/18/26/45/958182645.db2.gz	PABYJCZLLYBTFA-UHFFFAOYSA-N	-1	0	252.295	0.866	20	30		CCEDRM
C#CCN(CC(=O)[O-])C(=O)c1conc1C(C)C	ZINC001588418929	958188202	/nfs/dbraw/zinc/18/82/02/958188202.db2.gz	WKWXDKTWTKZNCX-UHFFFAOYSA-N	-1	0	250.254	0.958	20	30		CCEDRM
C#CCN(CC(=O)[O-])[C@@H]1C[C@@H]2CCCC[C@@H]2NC1=O	ZINC001588419678	958194466	/nfs/dbraw/zinc/19/44/66/958194466.db2.gz	ASQLPIRDRNGCJC-SDDRHHMPSA-N	-1	0	264.325	0.454	20	30		CCEDRM
C#CCN(CC(=O)[O-])Cc1c(C)cnn1COC	ZINC001588423654	958207076	/nfs/dbraw/zinc/20/70/76/958207076.db2.gz	BMWDPIHGGQWHGV-UHFFFAOYSA-N	-1	0	251.286	0.315	20	30		CCEDRM
C#CCN(CC(=O)[O-])c1nnc(-c2cscn2)n1CC	ZINC001588426450	958229551	/nfs/dbraw/zinc/22/95/51/958229551.db2.gz	KGMLKHNFYXDYFK-UHFFFAOYSA-N	-1	0	291.336	0.946	20	30		CCEDRM
C#CCN(CC(=O)[O-])S(=O)(=O)c1ccc(F)nc1F	ZINC001588426693	958232744	/nfs/dbraw/zinc/23/27/44/958232744.db2.gz	YJDFJMFSJZAXTP-UHFFFAOYSA-N	-1	0	290.247	0.068	20	30		CCEDRM
C#CCN(CC(=O)[O-])c1nnnn1[C@H]1COC2(CCC2)C1	ZINC001588426776	958233276	/nfs/dbraw/zinc/23/32/76/958233276.db2.gz	BMWGNGOAAFRYRE-SNVBAGLBSA-N	-1	0	291.311	0.081	20	30		CCEDRM
C#CCN(CC(=O)[O-])c1nnc([C@H]2CCOC2)n1CC	ZINC001588426932	958237055	/nfs/dbraw/zinc/23/70/55/958237055.db2.gz	HIGYOIQYCKFUCC-JTQLQIEISA-N	-1	0	278.312	0.326	20	30		CCEDRM
C#CCN(CC(=O)[O-])c1nnc(C2(O)CC2)n1CC(=C)C	ZINC001588427215	958241353	/nfs/dbraw/zinc/24/13/53/958241353.db2.gz	QSEKTIKJGYQOHH-UHFFFAOYSA-N	-1	0	290.323	0.360	20	30		CCEDRM
C#CCN1CCC[C@@H](NC(=O)[C@]2(C(=O)[O-])C[C@H]2C)C1	ZINC001588429809	958249790	/nfs/dbraw/zinc/24/97/90/958249790.db2.gz	DHLUXBBXLJGNCE-GYSYKLTISA-N	-1	0	264.325	0.311	20	30		CCEDRM
C#CCN1CCC[C@@H](NC(=O)N2CC[C@@](C)(C(=O)[O-])C2)C1	ZINC001588430937	958261328	/nfs/dbraw/zinc/26/13/28/958261328.db2.gz	QRPUELFOMVYZRF-IUODEOHRSA-N	-1	0	293.367	0.590	20	30		CCEDRM
C#CCNC(=O)[C@@H](C)OC(=O)[C@H](C(=O)[O-])C(C)(C)C	ZINC001588431331	958268111	/nfs/dbraw/zinc/26/81/11/958268111.db2.gz	WJIRZTLUSOYRCV-BDAKNGLRSA-N	-1	0	269.297	0.414	20	30		CCEDRM
C#Cc1ccc(CN2CCO[C@](COC)(C(=O)[O-])C2)cc1	ZINC001588439265	958315317	/nfs/dbraw/zinc/31/53/17/958315317.db2.gz	PUKZOUZPTIZQRO-MRXNPFEDSA-N	-1	0	289.331	0.970	20	30		CCEDRM
C#Cc1cccc(N(C)[C@H]2CCN(CC(=O)[O-])C2=O)c1	ZINC001588439330	958316900	/nfs/dbraw/zinc/31/69/00/958316900.db2.gz	SYVMZSUROSTBPM-ZDUSSCGKSA-N	-1	0	272.304	0.790	20	30		CCEDRM
C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)[C@@H](OC)C(=O)[O-]	ZINC001588440997	958332837	/nfs/dbraw/zinc/33/28/37/958332837.db2.gz	BEGJDIGUKPRYJK-KXUCPTDWSA-N	-1	0	257.286	0.183	20	30		CCEDRM
C=C(C)C[C@H](CO)NC(=O)N[C@H]1CC[C@@H](C(=O)[O-])C1	ZINC001588442077	958341492	/nfs/dbraw/zinc/34/14/92/958341492.db2.gz	OMDCMITUMYBRGJ-OUAUKWLOSA-N	-1	0	270.329	0.866	20	30		CCEDRM
C=CC(C)(C)NC(=O)N[C@@H]1CCCCN(CC(=O)[O-])C1=O	ZINC001588450473	958394589	/nfs/dbraw/zinc/39/45/89/958394589.db2.gz	MWDBGIFHPUVKDS-SNVBAGLBSA-N	-1	0	297.355	0.716	20	30		CCEDRM
C=C[C@@](C)(O)CC(=O)Nc1cnn(C(C)(C)C(=O)[O-])c1	ZINC001588450957	958403070	/nfs/dbraw/zinc/40/30/70/958403070.db2.gz	IRJLOPUGDQLFME-CYBMUJFWSA-N	-1	0	281.312	0.968	20	30		CCEDRM
C=C[C@H](COC)NC(=O)NCC1(C(=O)[O-])CCC1	ZINC001588451280	958409275	/nfs/dbraw/zinc/40/92/75/958409275.db2.gz	RIVKSPCJOXFSSD-SECBINFHSA-N	-1	0	256.302	0.742	20	30		CCEDRM
C#CCNC(=O)CN1CC[C@](C(=O)[O-])(C(F)(F)F)C1	ZINC000111242677	958416420	/nfs/dbraw/zinc/41/64/20/958416420.db2.gz	DTIAGESNNAFSLD-JTQLQIEISA-N	-1	0	278.230	0.075	20	30		CCEDRM
C=C[C@H](OC(=O)C1(C(=O)[O-])CCC1)C(=O)OCC	ZINC001588452160	958419190	/nfs/dbraw/zinc/41/91/90/958419190.db2.gz	KLACFBFZFCCAHI-QMMMGPOBSA-N	-1	0	256.254	0.902	20	30		CCEDRM
C=CC[C@H](CO)NC(=O)Nc1ccn(C(C)(C)C(=O)[O-])n1	ZINC001588452668	958424880	/nfs/dbraw/zinc/42/48/80/958424880.db2.gz	HDNYOOIMLQXGFZ-SECBINFHSA-N	-1	0	296.327	0.761	20	30		CCEDRM
C=CCCOCCNC(=O)[C@](C)(C#N)CC(=O)[O-]	ZINC001588460772	958479577	/nfs/dbraw/zinc/47/95/77/958479577.db2.gz	WIOGIGVXGWUQNC-LBPRGKRZSA-N	-1	0	254.286	0.700	20	30		CCEDRM
C=CCOC[C@H]1NC(=O)N(C2CCC(C(=O)[O-])CC2)C1=O	ZINC001588465084	958496170	/nfs/dbraw/zinc/49/61/70/958496170.db2.gz	HHBVPDGRUWDLGQ-VQXHTEKXSA-N	-1	0	296.323	0.753	20	30		CCEDRM
C=CCOC[C@@H]1NC(=O)N(C[C@@H](C(=O)[O-])C(C)C)C1=O	ZINC001588465222	958497627	/nfs/dbraw/zinc/49/76/27/958497627.db2.gz	RCRICFNKBLDAEA-ZJUUUORDSA-N	-1	0	284.312	0.466	20	30		CCEDRM
C=CCCn1cc(C(=O)Nc2n[nH]cc2C(=O)[O-])nn1	ZINC001573328466	958500051	/nfs/dbraw/zinc/50/00/51/958500051.db2.gz	IOVRCBGKDWVGGS-UHFFFAOYSA-N	-1	0	276.256	0.528	20	30		CCEDRM
C#CCNC(=O)[C@H](C)N1CCc2c(cccc2C(=O)[O-])C1	ZINC000124546541	958535287	/nfs/dbraw/zinc/53/52/87/958535287.db2.gz	BKLCHVKUSFAZHN-NSHDSACASA-N	-1	0	286.331	0.881	20	30		CCEDRM
C=CCn1c([C@@H](C)O)nnc1N1CC[C@](C)(C(=O)[O-])C1	ZINC001588474133	958553395	/nfs/dbraw/zinc/55/33/95/958553395.db2.gz	DJEHWWGAEHLCPA-RNCFNFMXSA-N	-1	0	280.328	0.818	20	30		CCEDRM
C=C[C@@H]1OCC[C@H]1C(=O)Nc1n[nH]cc1C(=O)[O-]	ZINC001588478633	958570444	/nfs/dbraw/zinc/57/04/44/958570444.db2.gz	TVUGFEFRJLTYBW-SVRRBLITSA-N	-1	0	251.242	0.638	20	30		CCEDRM
N#Cc1cccc(NCCOCC(=O)[O-])c1[N+](=O)[O-]	ZINC000125793396	958570962	/nfs/dbraw/zinc/57/09/62/958570962.db2.gz	GMUXIBDYABJNFZ-UHFFFAOYSA-N	-1	0	265.225	0.980	20	30		CCEDRM
CC#CCCNC(=O)[C@H]1CO[C@H](CCC(=O)[O-])C1	ZINC001588478826	958574087	/nfs/dbraw/zinc/57/40/87/958574087.db2.gz	MDMJRGXIGIKEAQ-GHMZBOCLSA-N	-1	0	253.298	0.786	20	30		CCEDRM
CC#CC[C@H](CO)NC(=O)c1coc(/C=C\C(=O)[O-])c1	ZINC001588479028	958576443	/nfs/dbraw/zinc/57/64/43/958576443.db2.gz	UKFZVQQCVUQPHN-ISALQUGTSA-N	-1	0	277.276	0.882	20	30		CCEDRM
CC(N=Nc1ncccc1C(=O)[O-])c1cnnn1C	ZINC001588485905	958608574	/nfs/dbraw/zinc/60/85/74/958608574.db2.gz	PCFPDOZHSOYUNG-UHFFFAOYSA-N	-1	0	260.257	0.744	20	30		CCEDRM
N#Cc1ncccc1NCCn1cc(C(=O)[O-])nn1	ZINC000129775772	958719040	/nfs/dbraw/zinc/71/90/40/958719040.db2.gz	AOLZTURBYVTRLK-UHFFFAOYSA-N	-1	0	258.241	0.355	20	30		CCEDRM
C[C@@](C#N)(CC(=O)[O-])C(=O)N1CC([C@H]2CCOC2)C1	ZINC001588535884	958932123	/nfs/dbraw/zinc/93/21/23/958932123.db2.gz	RSLVQZUBRRCOFE-ZANVPECISA-N	-1	0	266.297	0.486	20	30		CCEDRM
C[C@](C#N)(CC(=O)[O-])C(=O)N(CCO)CC1CC1	ZINC001588536211	958933797	/nfs/dbraw/zinc/93/37/97/958933797.db2.gz	UUKSXQITOFMXLM-GFCCVEGCSA-N	-1	0	254.286	0.222	20	30		CCEDRM
C[C@@](C#N)(CC(=O)[O-])C(=O)N1CC[C@@](O)(C(F)F)C1	ZINC001588536796	958935821	/nfs/dbraw/zinc/93/58/21/958935821.db2.gz	ZOOUULGTJBUAAV-QWRGUYRKSA-N	-1	0	276.239	0.219	20	30		CCEDRM
CC(C)(CC(=O)[O-])NC(=O)CNc1ccc(C#N)cn1	ZINC001573467727	958941288	/nfs/dbraw/zinc/94/12/88/958941288.db2.gz	RONARWKGOVYENR-UHFFFAOYSA-N	-1	0	276.296	0.735	20	30		CCEDRM
C[C@@](C#N)(CC(=O)[O-])C(=O)N[C@H]1CCc2cncn2C1	ZINC001588538493	958941457	/nfs/dbraw/zinc/94/14/57/958941457.db2.gz	IUCLVVZJDVJIJS-ZANVPECISA-N	-1	0	276.296	0.319	20	30		CCEDRM
C[C@H](C#N)C(=O)Nc1cnn(C(C)(C)C(=O)[O-])c1	ZINC001588543346	958978371	/nfs/dbraw/zinc/97/83/71/958978371.db2.gz	KYSPBXQZDNQQTL-SSDOTTSWSA-N	-1	0	250.258	0.801	20	30		CCEDRM
C#CC[C@@H](NC(=O)COc1ccc(F)cc1F)C(=O)[O-]	ZINC000149627196	959021305	/nfs/dbraw/zinc/02/13/05/959021305.db2.gz	LPKAMFCUCKISIU-SNVBAGLBSA-N	-1	0	283.230	0.936	20	30		CCEDRM
COC[C@@H](NC(=O)[C@H](C)Oc1ccc(C#N)cc1)C(=O)[O-]	ZINC000158368166	959090066	/nfs/dbraw/zinc/09/00/66/959090066.db2.gz	ZUGFSVGGSGLPCO-JOYOIKCWSA-N	-1	0	292.291	0.541	20	30		CCEDRM
C#CC[C@H](NC(=O)c1cccc(F)c1N)C(=O)[O-]	ZINC000161429624	959185261	/nfs/dbraw/zinc/18/52/61/959185261.db2.gz	HUIMJJATEMRMDE-VIFPVBQESA-N	-1	0	250.229	0.614	20	30		CCEDRM
C[C@@H](CC#N)C(=O)N1C[C@H]2COC[C@@]2(C(=O)[O-])C1	ZINC001573575997	959328984	/nfs/dbraw/zinc/32/89/84/959328984.db2.gz	IKUABGSGHHTIRO-AUTRQRHGSA-N	-1	0	252.270	0.096	20	30		CCEDRM
CC(C)(C)[C@@H](C#N)NC(=O)[C@H]1CCCN(CC(=O)[O-])C1=O	ZINC001588630958	959607392	/nfs/dbraw/zinc/60/73/92/959607392.db2.gz	UFOVIHCJPAOQCC-NXEZZACHSA-N	-1	0	295.339	0.364	20	30		CCEDRM
C[C@]1(C#N)CN(C(=O)[C@@H]2CC[C@H]2C(=O)[O-])CCO1	ZINC001573645681	959639004	/nfs/dbraw/zinc/63/90/04/959639004.db2.gz	JPGCMBLEGLAJIV-LNLATYFQSA-N	-1	0	252.270	0.238	20	30		CCEDRM
Cc1c(C(=O)N[C@@H](C(=O)[O-])C(C)C)cnn1CCC#N	ZINC001594256664	959653424	/nfs/dbraw/zinc/65/34/24/959653424.db2.gz	IRJWFUJEHUZECK-LLVKDONJSA-N	-1	0	278.312	0.944	20	30		CCEDRM
Cc1c(CN(C)C(=O)[C@@](C)(C#N)CC(=O)[O-])cnn1C	ZINC001594262095	959703680	/nfs/dbraw/zinc/70/36/80/959703680.db2.gz	UETSMCNADQWTGS-CYBMUJFWSA-N	-1	0	278.312	0.692	20	30		CCEDRM
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CCC(CC)(NS(=O)(=O)c1cccnc1C#N)C(=O)[O-]	ZINC000232854114	960302077	/nfs/dbraw/zinc/30/20/77/960302077.db2.gz	HQAYPSKKFBZQKT-UHFFFAOYSA-N	-1	0	297.336	0.875	20	30		CCEDRM
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CC[C@@H](NC(=O)[C@](C)(C#N)CC(=O)[O-])c1noc(C)n1	ZINC001573808356	960862629	/nfs/dbraw/zinc/86/26/29/960862629.db2.gz	CDNWIORUNFVZRF-PELKAZGASA-N	-1	0	280.284	0.950	20	30		CCEDRM
CCN(C[C@H](C)C#N)C(=O)CN1[C@H](C)CC[C@@H]1C(=O)[O-]	ZINC001573874976	961237413	/nfs/dbraw/zinc/23/74/13/961237413.db2.gz	AKZKWIWFEZORTE-IJLUTSLNSA-N	-1	0	281.356	0.932	20	30		CCEDRM
Cc1csc(NC(=O)c2cn(CC(=O)[O-])nn2)c1C#N	ZINC001574415437	961311206	/nfs/dbraw/zinc/31/12/06/961311206.db2.gz	BNGWBOMDAPPXAV-UHFFFAOYSA-N	-1	0	291.292	0.857	20	30		CCEDRM
Cc1onc(CC(=O)Nc2n[nH]cc2C(=O)[O-])c1C#N	ZINC001574446491	961450469	/nfs/dbraw/zinc/45/04/69/961450469.db2.gz	NWHDYOAZAXDMMH-UHFFFAOYSA-N	-1	0	275.224	0.457	20	30		CCEDRM
Cn1cc(C#N)c(NC(=O)[C@@H]2CO[C@@H](CCC(=O)[O-])C2)n1	ZINC001574449082	961462439	/nfs/dbraw/zinc/46/24/39/961462439.db2.gz	HLPZFQNKCHCBIG-WPRPVWTQSA-N	-1	0	292.295	0.500	20	30		CCEDRM
CC(C)[C@@H](C(=O)[O-])C(=O)NCC1CCN(CC#N)CC1	ZINC001588805122	961473128	/nfs/dbraw/zinc/47/31/28/961473128.db2.gz	OXUSTOIVRGQYOV-GFCCVEGCSA-N	-1	0	281.356	0.695	20	30		CCEDRM
Cn1nc(C(=O)[O-])cc1C(=O)Nc1cccc(CC#N)n1	ZINC001574466518	961572377	/nfs/dbraw/zinc/57/23/77/961572377.db2.gz	AESAOZDEVQMXLB-UHFFFAOYSA-N	-1	0	285.263	0.832	20	30		CCEDRM
CC(C)[C@@H](CNC(=O)N1CCO[C@@](C)(C#N)C1)C(=O)[O-]	ZINC001588822588	961637676	/nfs/dbraw/zinc/63/76/76/961637676.db2.gz	CIKFBBQKWWCEIS-MFKMUULPSA-N	-1	0	283.328	0.667	20	30		CCEDRM
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CC(C)CCN(CCC#N)[C@H]1CCN(CC(=O)[O-])C1=O	ZINC001588868018	962036476	/nfs/dbraw/zinc/03/64/76/962036476.db2.gz	SJAWYGLBEHKKJF-LBPRGKRZSA-N	-1	0	281.356	0.934	20	30		CCEDRM
CC(C)[C@@H](C#N)NC(=O)c1cc(C(=O)[O-])nn1C	ZINC001588943078	962549590	/nfs/dbraw/zinc/54/95/90/962549590.db2.gz	NMOXAYAMAURLMX-MRVPVSSYSA-N	-1	0	250.258	0.396	20	30		CCEDRM
C#C[C@H]1CCCCN1S(=O)(=O)c1n[nH]c(C)c1C(=O)[O-]	ZINC001573302165	962646051	/nfs/dbraw/zinc/64/60/51/962646051.db2.gz	KLHKYCGZFBORCL-VIFPVBQESA-N	-1	0	297.336	0.593	20	30		CCEDRM
C#CC[C@H]1CCCN(S(=O)(=O)c2n[nH]cc2C(=O)[O-])C1	ZINC001573302393	962651490	/nfs/dbraw/zinc/65/14/90/962651490.db2.gz	BDGZFDPVZFMJJD-VIFPVBQESA-N	-1	0	297.336	0.532	20	30		CCEDRM
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C#CC[C@@H](NS(=O)(=O)c1c(C)cccc1F)C(=O)[O-]	ZINC000275038697	962815782	/nfs/dbraw/zinc/81/57/82/962815782.db2.gz	QUZCTZKLTDPWAF-SNVBAGLBSA-N	-1	0	285.296	0.889	20	30		CCEDRM
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C=C(CCC(=O)[O-])C(=O)N[C@H](CC1CC1)C(=O)OC	ZINC001573332781	962842903	/nfs/dbraw/zinc/84/29/03/962842903.db2.gz	OWUDVQWTSDHSOX-SNVBAGLBSA-N	-1	0	269.297	0.865	20	30		CCEDRM
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C=C[C@@H]1OCC[C@H]1C(=O)NC1(CC(=O)[O-])CCOCC1	ZINC001573379779	963109734	/nfs/dbraw/zinc/10/97/34/963109734.db2.gz	WMPOQJNVZRAZPC-MNOVXSKESA-N	-1	0	283.324	0.718	20	30		CCEDRM
C#CCNS(=O)(=O)c1ccc(C(=O)[O-])c(F)c1	ZINC000304366300	963138119	/nfs/dbraw/zinc/13/81/19/963138119.db2.gz	FJWFDKNHWUBHJT-UHFFFAOYSA-N	-1	0	257.242	0.435	20	30		CCEDRM
CSC1([C@H](C#N)N(C)C(=O)[C@H]2C[C@H]2C(=O)[O-])CC1	ZINC001570992212	963157930	/nfs/dbraw/zinc/15/79/30/963157930.db2.gz	GNBMGYRPDRMUJQ-YIZRAAEISA-N	-1	0	268.338	0.953	20	30		CCEDRM
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Cc1ncc(S(=O)(=O)N(C)C(C)(C)C(=O)[O-])cc1C#N	ZINC000312698796	963586331	/nfs/dbraw/zinc/58/63/31/963586331.db2.gz	FXTSDVOUIASFLM-UHFFFAOYSA-N	-1	0	297.336	0.745	20	30		CCEDRM
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N#CC[C@@H](NC(=O)[C@@]1(C(=O)[O-])CCCO1)C(F)(F)F	ZINC001605581737	973861183	/nfs/dbraw/zinc/86/11/83/973861183.db2.gz	KEPKFZCEOSEEFR-HZGVNTEJSA-N	-1	0	280.202	0.581	20	30		CCEDRM
N#CCNC(=O)CNC(=O)C1(C(=O)[O-])CCCCCC1	ZINC001605585798	973877843	/nfs/dbraw/zinc/87/78/43/973877843.db2.gz	IFVCLHQMGOIAPT-UHFFFAOYSA-N	-1	0	281.312	0.168	20	30		CCEDRM
N#Cc1ccc(C(=O)N2CCO[C@@H](C(=O)[O-])C2)c(F)c1	ZINC001605597483	973898907	/nfs/dbraw/zinc/89/89/07/973898907.db2.gz	UQLKSRJHTXWIMN-LLVKDONJSA-N	-1	0	278.239	0.623	20	30		CCEDRM
N#Cc1ccc(CNC(=O)[C@]2(C(=O)[O-])CCCO2)cc1F	ZINC001605601825	973907402	/nfs/dbraw/zinc/90/74/02/973907402.db2.gz	FQOROSIGDOBCFD-AWEZNQCLSA-N	-1	0	292.266	0.947	20	30		CCEDRM
N#C[C@H]1CN(C(=O)N[C@@H]2CCC[C@H]2CC(=O)[O-])CCO1	ZINC000405837202	973908234	/nfs/dbraw/zinc/90/82/34/973908234.db2.gz	CZMIFIBLGVZUPN-GARJFASQSA-N	-1	0	281.312	0.564	20	30		CCEDRM
COc1ccncc1CNC(=O)[C@@](C)(C#N)CC(=O)[O-]	ZINC001604899084	974159550	/nfs/dbraw/zinc/15/95/50/974159550.db2.gz	WGLBCOIQOFZCIM-CYBMUJFWSA-N	-1	0	277.280	0.711	20	30		CCEDRM
C[C@H](CC#N)C(=O)N(CC(=O)[O-])C1CCOCC1	ZINC001592210135	977251858	/nfs/dbraw/zinc/25/18/58/977251858.db2.gz	AIAAGRKXOUMTNR-SECBINFHSA-N	-1	0	254.286	0.628	20	30		CCEDRM
C[C@H](CC#N)NS(=O)(=O)[C@H]1CCCC[C@H]1C(=O)[O-]	ZINC001592222582	977409093	/nfs/dbraw/zinc/40/90/93/977409093.db2.gz	ZBNJUVNSXQJZDR-BBBLOLIVSA-N	-1	0	274.342	0.851	20	30		CCEDRM
C[C@H](CC(=O)[O-])C(=O)O[C@@H](C)C(=O)NC1(C#N)CCC1	ZINC001592367046	977869140	/nfs/dbraw/zinc/86/91/40/977869140.db2.gz	IDMGHJVOXAVDPW-BDAKNGLRSA-N	-1	0	282.296	0.591	20	30		CCEDRM
C[C@@H](CC(=O)[O-])CC(=O)NCC1(C#N)CCOCC1	ZINC001592385328	977927396	/nfs/dbraw/zinc/92/73/96/977927396.db2.gz	NTVMLPMGGNMJLB-SNVBAGLBSA-N	-1	0	268.313	0.924	20	30		CCEDRM
C[C@@H](CC=NN=C1NS(=O)(=O)c2ccccc21)C(=O)[O-]	ZINC001592470992	978227842	/nfs/dbraw/zinc/22/78/42/978227842.db2.gz	PBPIMPIJBAWFCE-QMMMGPOBSA-N	-1	0	295.320	0.822	20	30		CCEDRM
C[C@H](C#N)C(=O)N(C)C[C@H](C)Nc1ncc(C(=O)[O-])cn1	ZINC001592564039	978456723	/nfs/dbraw/zinc/45/67/23/978456723.db2.gz	PYCMPXIIDIENGR-BDAKNGLRSA-N	-1	0	291.311	0.593	20	30		CCEDRM
C[C@@H](C#N)C(=O)N(C)C[C@H](C)Nc1ncc(C(=O)[O-])cn1	ZINC001592564041	978456874	/nfs/dbraw/zinc/45/68/74/978456874.db2.gz	PYCMPXIIDIENGR-IUCAKERBSA-N	-1	0	291.311	0.593	20	30		CCEDRM
C[C@H](CNC(=O)OC(C)(C)C)C(=O)N(CC#N)CC(=O)[O-]	ZINC001592685577	979121117	/nfs/dbraw/zinc/12/11/17/979121117.db2.gz	PHQISUVHCMBVNC-SECBINFHSA-N	-1	0	299.327	0.584	20	30		CCEDRM
C[C@H](CNc1ccc(C(=O)[O-])nc1C#N)S(C)(=O)=O	ZINC001592730418	979248491	/nfs/dbraw/zinc/24/84/91/979248491.db2.gz	UPOPZVQWIYPRCN-SSDOTTSWSA-N	-1	0	283.309	0.496	20	30		CCEDRM
CC[C@@](C)(C#N)C(=O)O[C@@H](C)C(=O)NCC(=O)[O-]	ZINC001594778358	981775520	/nfs/dbraw/zinc/77/55/20/981775520.db2.gz	POHPWKFEMSBHEA-CPCISQLKSA-N	-1	0	256.258	0.059	20	30		CCEDRM
CC[C@H](C)[C@H](NC(=O)CN1CCO[C@@](C)(C#N)C1)C(=O)[O-]	ZINC001594892648	982298376	/nfs/dbraw/zinc/29/83/76/982298376.db2.gz	CHHLMCXQIOFGOR-JKOKRWQUSA-N	-1	0	297.355	0.216	20	30		CCEDRM
CCCN1C[C@H](C(=O)N(CC#N)CCC(=O)[O-])CC1=O	ZINC001595897261	982946445	/nfs/dbraw/zinc/94/64/45/982946445.db2.gz	XSFIHGSBKZSQEM-SNVBAGLBSA-N	-1	0	281.312	0.072	20	30		CCEDRM
N#C[C@@H](CCc1ccccc1)C(=O)N[C@H](CO)C(=O)[O-]	ZINC001574242876	983201734	/nfs/dbraw/zinc/20/17/34/983201734.db2.gz	ZOKNOOJLLOJEQA-VXGBXAGGSA-N	-1	0	276.292	0.321	20	30		CCEDRM
C#C[C@H](C)N(C)S(=O)(=O)C1CCC(C(=O)[O-])CC1	ZINC001588368864	983308826	/nfs/dbraw/zinc/30/88/26/983308826.db2.gz	UWBMRSHPCLMYSH-WHXUTIOJSA-N	-1	0	273.354	0.913	20	30		CCEDRM
C#C[C@H](CC)NS(=O)(=O)CC1(C(=O)[O-])CCCC1	ZINC001588369543	983314723	/nfs/dbraw/zinc/31/47/23/983314723.db2.gz	PDKNCSWCCFRFPR-SNVBAGLBSA-N	-1	0	273.354	0.963	20	30		CCEDRM
C#C[C@@H](CC)NS(=O)(=O)c1cccnc1C(=O)[O-]	ZINC001588369741	983316769	/nfs/dbraw/zinc/31/67/69/983316769.db2.gz	VAZYSUMCMXXKDA-QMMMGPOBSA-N	-1	0	268.294	0.470	20	30		CCEDRM
C#C[C@H](NC(=O)NC/C=C(\C)C(=O)[O-])[C@@H]1CCCO1	ZINC001588372104	983327818	/nfs/dbraw/zinc/32/78/18/983327818.db2.gz	DDLZUKIEZFMONV-PRZVWEGYSA-N	-1	0	266.297	0.497	20	30		CCEDRM
C#C[C@H](NC(=O)Nc1c(C(=O)[O-])cnn1C)[C@H]1CCCO1	ZINC001588374088	983341014	/nfs/dbraw/zinc/34/10/14/983341014.db2.gz	OFZWYMJAXMLBRM-VHSXEESVSA-N	-1	0	292.295	0.421	20	30		CCEDRM
C#CC1(O)CCN(C(=O)Nc2ccc(C(=O)[O-])nc2)CC1	ZINC001588379290	983363613	/nfs/dbraw/zinc/36/36/13/983363613.db2.gz	BUDBUVWPUBYGCH-UHFFFAOYSA-N	-1	0	289.291	0.772	20	30		CCEDRM
C#CC1(NS(=O)(=O)[C@H]2C[C@@H](C(=O)[O-])C2)CCCC1	ZINC001588379558	983364773	/nfs/dbraw/zinc/36/47/73/983364773.db2.gz	LJWJLCLURHGVMT-AOOOYVTPSA-N	-1	0	271.338	0.715	20	30		CCEDRM
C#C[C@@H]1COCCN1CC(=O)Nc1ccccc1C(=O)[O-]	ZINC001588383473	983381173	/nfs/dbraw/zinc/38/11/73/983381173.db2.gz	ARNXGSWPDHLDFY-LLVKDONJSA-N	-1	0	288.303	0.657	20	30		CCEDRM
C#CCC(C)(C)C(=O)N1C[C@H](O)C[C@H](C(=O)[O-])C1	ZINC001588383784	983384766	/nfs/dbraw/zinc/38/47/66/983384766.db2.gz	KKTULJIASCRCNL-VHSXEESVSA-N	-1	0	253.298	0.330	20	30		CCEDRM
C#CCC(CC#C)C(=O)N[C@H](Cc1cncs1)C(=O)[O-]	ZINC001588389757	983388253	/nfs/dbraw/zinc/38/82/53/983388253.db2.gz	AHCZUSAQSIBHLQ-GFCCVEGCSA-N	-1	0	290.344	0.918	20	30		CCEDRM
C#C[C@@H]1COCCN1C(=O)[C@H]1CCC[C@H](C(=O)[O-])C1	ZINC001588384224	983388266	/nfs/dbraw/zinc/38/82/66/983388266.db2.gz	ZOQZWNJQVQCQPV-SDDRHHMPSA-N	-1	0	265.309	0.738	20	30		CCEDRM
C#CC[C@@H](COC)NC(=O)NCc1cc(C(=O)[O-])co1	ZINC001588395220	983404962	/nfs/dbraw/zinc/40/49/62/983404962.db2.gz	QKRWFVMDMYMCAK-JTQLQIEISA-N	-1	0	280.280	0.815	20	30		CCEDRM
C#CC[C@H](NC(=O)CCc1nnc(C(F)F)o1)C(=O)[O-]	ZINC001588405248	983420896	/nfs/dbraw/zinc/42/08/96/983420896.db2.gz	LCNSVXOBSYBKRB-LURJTMIESA-N	-1	0	287.222	0.533	20	30		CCEDRM
C#CC[C@@H](NC(=O)[C@@H](CC1CCC1)NC(C)=O)C(=O)[O-]	ZINC001588406848	983426470	/nfs/dbraw/zinc/42/64/70/983426470.db2.gz	AVTLQUXRSJLAPV-VXGBXAGGSA-N	-1	0	280.324	0.274	20	30		CCEDRM
C#CC[C@H](NC(=O)CCCC(=O)C1CC1)C(=O)[O-]	ZINC001588406946	983426658	/nfs/dbraw/zinc/42/66/58/983426658.db2.gz	UIBQOLJPYUGFSI-JTQLQIEISA-N	-1	0	251.282	0.729	20	30		CCEDRM
C#CC[C@@H](NC(=O)Cc1ccc(C=O)cc1)C(=O)[O-]	ZINC001588406965	983426817	/nfs/dbraw/zinc/42/68/17/983426817.db2.gz	CBIKMSCMIXNMRQ-GFCCVEGCSA-N	-1	0	259.261	0.634	20	30		CCEDRM
C#CC[C@@H](NC(=O)c1cnc2ccccn21)C(=O)[O-]	ZINC001588416542	983437246	/nfs/dbraw/zinc/43/72/46/983437246.db2.gz	PBJWYFGISIRHFY-SECBINFHSA-N	-1	0	257.249	0.541	20	30		CCEDRM
C#CC[C@H](NC(=O)c1cnc(C(C)=O)s1)C(=O)[O-]	ZINC001588417041	983438335	/nfs/dbraw/zinc/43/83/35/983438335.db2.gz	VPNAVIINCJAPRT-ZETCQYMHSA-N	-1	0	266.278	0.552	20	30		CCEDRM
C#CC[C@H]1CCN(C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)[O-])C1	ZINC001588434545	983471051	/nfs/dbraw/zinc/47/10/51/983471051.db2.gz	MXYGASUOUIINHQ-DCAQKATOSA-N	-1	0	295.339	0.019	20	30		CCEDRM
C#CCC[C@H](O)CNC(=O)N[C@H]1C[C@H]2C[C@@H](C(=O)[O-])C[C@H]21	ZINC001588435036	983474373	/nfs/dbraw/zinc/47/43/73/983474373.db2.gz	AHMSLUWFQJKLSE-LBELIVKGSA-N	-1	0	294.351	0.559	20	30		CCEDRM
C#CCCNS(=O)(=O)[C@@H]1CCCC[C@@H]1C(=O)[O-]	ZINC001588453782	983477529	/nfs/dbraw/zinc/47/75/29/983477529.db2.gz	SWCZVSSREPKHEL-VHSXEESVSA-N	-1	0	259.327	0.573	20	30		CCEDRM
C#CCCS(=O)(=O)N[C@H]1C[C@H]2C[C@@H](C(=O)[O-])C[C@H]21	ZINC001588458207	983482998	/nfs/dbraw/zinc/48/29/98/983482998.db2.gz	KVPCCVDIVCDCCL-DBIOUOCHSA-N	-1	0	271.338	0.428	20	30		CCEDRM
C#CCCn1nnnc1N1CC[C@@H](C(=O)[O-])[C@@H](C)C1	ZINC001588459139	983484563	/nfs/dbraw/zinc/48/45/63/983484563.db2.gz	ZUPKCEPJLKHDKB-VHSXEESVSA-N	-1	0	263.301	0.243	20	30		CCEDRM
C#CCN(C)C(=O)C(=O)Nc1ccc(F)c(C(=O)[O-])c1F	ZINC001588461638	983490747	/nfs/dbraw/zinc/49/07/47/983490747.db2.gz	WEADOCWBZLQVJT-UHFFFAOYSA-N	-1	0	296.229	0.693	20	30		CCEDRM
C#CCN(C)C(=O)C(=O)Nc1cc(C)cc(C(=O)[O-])c1	ZINC001588461703	983490910	/nfs/dbraw/zinc/49/09/10/983490910.db2.gz	XUVLBKFTSNIGCM-UHFFFAOYSA-N	-1	0	274.276	0.723	20	30		CCEDRM
C#CCN(CC(=O)N[C@@H](CC)C(=O)[O-])C(=O)OC(C)(C)C	ZINC001588465706	983496276	/nfs/dbraw/zinc/49/62/76/983496276.db2.gz	CULQZOQFVMUFQS-JTQLQIEISA-N	-1	0	298.339	0.836	20	30		CCEDRM
C#CCN1CCC[C@@H](NC(=O)NC/C=C(/C)C(=O)[O-])C1	ZINC001588477178	983514497	/nfs/dbraw/zinc/51/44/97/983514497.db2.gz	VXBPLOAGXFLKFA-HUMZTAOYSA-N	-1	0	279.340	0.414	20	30		CCEDRM
C#CCNC(=S)NCc1cc(C(=O)[O-])c(C)o1	ZINC001588485476	983525408	/nfs/dbraw/zinc/52/54/08/983525408.db2.gz	RHGBKEPUDGUBAK-UHFFFAOYSA-N	-1	0	252.295	0.884	20	30		CCEDRM
C#CCO[C@H](C)C(=O)OCC(=O)c1cc(C(=O)[O-])[nH]c1C	ZINC001588490831	983534471	/nfs/dbraw/zinc/53/44/71/983534471.db2.gz	ZLWCYUULMBIVEB-SECBINFHSA-N	-1	0	293.275	0.786	20	30		CCEDRM
C#CCSCC(=O)N(C)[C@H](COC1CCC1)C(=O)[O-]	ZINC001588504508	983547910	/nfs/dbraw/zinc/54/79/10/983547910.db2.gz	CFFUTNDMPSXKPP-LLVKDONJSA-N	-1	0	285.365	0.834	20	30		CCEDRM
CCN([C@@H](C)C#N)S(=O)(=O)c1csnc1C(=O)[O-]	ZINC001596178798	983548719	/nfs/dbraw/zinc/54/87/19/983548719.db2.gz	UJJJHDJTXCEDGQ-LURJTMIESA-N	-1	0	289.338	0.764	20	30		CCEDRM
C#CCSCC(=O)N(CCC(=O)[O-])C[C@@H]1CCCO1	ZINC001588505209	983550132	/nfs/dbraw/zinc/55/01/32/983550132.db2.gz	YKCJKQZVGMMDID-NSHDSACASA-N	-1	0	285.365	0.835	20	30		CCEDRM
C#CCSCC(=O)Nc1c(C(=O)[O-])c(C)nn1C	ZINC001588506321	983551485	/nfs/dbraw/zinc/55/14/85/983551485.db2.gz	PMJLAZNOPGSPCA-UHFFFAOYSA-N	-1	0	267.310	0.732	20	30		CCEDRM
C#CCn1cc(CNc2ncnc(C(=O)[O-])c2OC)cn1	ZINC001588510111	983554790	/nfs/dbraw/zinc/55/47/90/983554790.db2.gz	ZTVRQCKDRITZSB-UHFFFAOYSA-N	-1	0	287.279	0.625	20	30		CCEDRM
C#Cc1ccc(C(=O)N2CCOC[C@@H]2CC(=O)[O-])cn1	ZINC001588510615	983556167	/nfs/dbraw/zinc/55/61/67/983556167.db2.gz	FVAGLUONPHEUFX-LBPRGKRZSA-N	-1	0	274.276	0.379	20	30		CCEDRM
C#C[C@H]1CC[C@H](NC(=O)C(=O)NC[C@H]2C[C@H]2C(=O)[O-])CC1	ZINC001588510791	983557219	/nfs/dbraw/zinc/55/72/19/983557219.db2.gz	LUVQHBLUBYXGMD-DDHJBXDOSA-N	-1	0	292.335	0.132	20	30		CCEDRM
C#Cc1ccc(C(=O)N[C@H](CCC(=O)[O-])C(=O)OC)cn1	ZINC001588516722	983561808	/nfs/dbraw/zinc/56/18/08/983561808.db2.gz	YIFDUXFBCSLKEB-LLVKDONJSA-N	-1	0	290.275	0.199	20	30		CCEDRM
C#Cc1ccc(N2CC[C@@]3(CC(C(=O)[O-])=NO3)C2)nc1	ZINC001588516862	983562642	/nfs/dbraw/zinc/56/26/42/983562642.db2.gz	FMFIHIOBLBFZOA-CQSZACIVSA-N	-1	0	271.276	0.873	20	30		CCEDRM
C#Cc1ccc(NC(=O)C(=O)NC[C@H]2C[C@H]2C(=O)[O-])cc1	ZINC001588517060	983563218	/nfs/dbraw/zinc/56/32/18/983563218.db2.gz	JDEFDBXUNLDJJA-ZYHUDNBSSA-N	-1	0	286.287	0.443	20	30		CCEDRM
C#Cc1cncc(C(=O)N(CC#N)CCC(=O)[O-])c1	ZINC001588529293	983580799	/nfs/dbraw/zinc/58/07/99/983580799.db2.gz	VOLXMEJZTIUXDZ-UHFFFAOYSA-N	-1	0	257.249	0.503	20	30		CCEDRM
CCN(CC#N)CC(=O)N1CCC(C(=O)[O-])CC1	ZINC001596200179	983584149	/nfs/dbraw/zinc/58/41/49/983584149.db2.gz	MPICKVPDYUPNBL-UHFFFAOYSA-N	-1	0	253.302	0.155	20	30		CCEDRM
C=C(C)C[C@H](CO)NC(=O)c1cc(C(=O)[O-])nn1C	ZINC001588537800	983602149	/nfs/dbraw/zinc/60/21/49/983602149.db2.gz	YLKTZDMJNDWIBT-MRVPVSSYSA-N	-1	0	267.285	0.175	20	30		CCEDRM
C=C(C)C[C@H](NC(=O)C1=C[S@@](=O)CCC1)C(=O)[O-]	ZINC001588537809	983602250	/nfs/dbraw/zinc/60/22/50/983602250.db2.gz	YRBDPBRIMGXDLH-YPMLDQLKSA-N	-1	0	271.338	0.948	20	30		CCEDRM
C=C(C)C[C@@H](NC(=O)C[C@@H]1CCC(=O)N1)C(=O)[O-]	ZINC001588540372	983603543	/nfs/dbraw/zinc/60/35/43/983603543.db2.gz	DUTYPSKQMZSKSY-DTWKUNHWSA-N	-1	0	254.286	0.191	20	30		CCEDRM
C=C(C)C[C@@H](NC(=O)C[C@H]1CCCS1(=O)=O)C(=O)[O-]	ZINC001588540436	983603874	/nfs/dbraw/zinc/60/38/74/983603874.db2.gz	GIHQEMHHSGEPOJ-NXEZZACHSA-N	-1	0	289.353	0.489	20	30		CCEDRM
C=C(C)C[C@H](NC(=O)CCSc1nnnn1C)C(=O)[O-]	ZINC001588540663	983604515	/nfs/dbraw/zinc/60/45/15/983604515.db2.gz	JTQOPPYOJITUNY-QMMMGPOBSA-N	-1	0	299.356	0.228	20	30		CCEDRM
C=C(C)C[C@@H](NC(=O)CCN1CCOCC1)C(=O)[O-]	ZINC001588540676	983604776	/nfs/dbraw/zinc/60/47/76/983604776.db2.gz	KGPBXJXYFOVPRO-LLVKDONJSA-N	-1	0	270.329	0.244	20	30		CCEDRM
C=C(C)C[C@@H](NC(=O)CSCC(C)=O)C(=O)[O-]	ZINC001588542245	983608011	/nfs/dbraw/zinc/60/80/11/983608011.db2.gz	DRCREDFQBSZTFN-SECBINFHSA-N	-1	0	259.327	0.844	20	30		CCEDRM
C=C(C)C[C@@H](NC(C)=O)C(=O)N1C[C@H]2[C@H](C(=O)[O-])[C@H]2C1	ZINC001588546790	983617098	/nfs/dbraw/zinc/61/70/98/983617098.db2.gz	CSVORACBMJNEKS-KXNHARMFSA-N	-1	0	280.324	0.246	20	30		CCEDRM
C=C(C)C[C@H](NC(C)=O)C(=O)N1CC[C@H](C(=O)[O-])C1	ZINC001588547014	983617880	/nfs/dbraw/zinc/61/78/80/983617880.db2.gz	GVYDOESLPQTNED-QWRGUYRKSA-N	-1	0	268.313	0.390	20	30		CCEDRM
CCN(C[C@H](C)C#N)C(=O)CN1CCC[C@@H](C(=O)[O-])C1=O	ZINC001596229965	983623006	/nfs/dbraw/zinc/62/30/06/983623006.db2.gz	OVFDQOFNCVYVGN-GHMZBOCLSA-N	-1	0	295.339	0.318	20	30		CCEDRM
C=C(C)C[C@H](NC(=O)c1cccc(=O)[nH]1)C(=O)[O-]	ZINC001588548764	983625226	/nfs/dbraw/zinc/62/52/26/983625226.db2.gz	TVCBNGRVAAWPMJ-VIFPVBQESA-N	-1	0	250.254	0.936	20	30		CCEDRM
CCN(C[C@@H](C)C#N)Cn1nc(C(=O)[O-])cc1C(=O)OC	ZINC001596230966	983625403	/nfs/dbraw/zinc/62/54/03/983625403.db2.gz	DWFUFAUUERQOJH-VIFPVBQESA-N	-1	0	294.311	0.807	20	30		CCEDRM
C=C(C)C[C@H](NC(C)=O)C(=O)N[C@@H](C)/C=C\C(=O)[O-]	ZINC001588548939	983625926	/nfs/dbraw/zinc/62/59/26/983625926.db2.gz	ZJKDYDBXZGVDGN-GHBVZUKASA-N	-1	0	268.313	0.603	20	30		CCEDRM
C=C(C)C[C@H](NS(=O)(=O)CCCC(=O)[O-])C(=O)OC	ZINC001588553181	983627684	/nfs/dbraw/zinc/62/76/84/983627684.db2.gz	ITKBNWCVHZXQFH-VIFPVBQESA-N	-1	0	293.341	0.278	20	30		CCEDRM
C=C(C)C[C@@H](NS(=O)(=O)CCCOC(C)=O)C(=O)[O-]	ZINC001588553797	983628956	/nfs/dbraw/zinc/62/89/56/983628956.db2.gz	SRWHJQOYHQNIJW-SNVBAGLBSA-N	-1	0	293.341	0.278	20	30		CCEDRM
C=C(C)C[C@H](NS(=O)(=O)c1c(C)noc1C)C(=O)[O-]	ZINC001588555819	983637368	/nfs/dbraw/zinc/63/73/68/983637368.db2.gz	TYXWVJJGZZCJTQ-VIFPVBQESA-N	-1	0	288.325	0.989	20	30		CCEDRM
C=C(C)CCn1nnnc1N1CC[C@@H](C(=O)[O-])C1	ZINC001588561613	983642315	/nfs/dbraw/zinc/64/23/15/983642315.db2.gz	QIOTVDYXNZHULY-SECBINFHSA-N	-1	0	251.290	0.550	20	30		CCEDRM
C=C(C)CN1CC(N(C)C(=O)[C@H]2C[C@H]2C(=O)[O-])C1	ZINC001588585116	983662749	/nfs/dbraw/zinc/66/27/49/983662749.db2.gz	JQLVGUWFGYTZIA-WDEREUQCSA-N	-1	0	252.314	0.426	20	30		CCEDRM
C=C(CC)Cn1nnnc1N1CC[C@@](C)(C(=O)[O-])C1	ZINC001588607117	983699717	/nfs/dbraw/zinc/69/97/17/983699717.db2.gz	TWVVNQFZGPTAIT-GFCCVEGCSA-N	-1	0	265.317	0.940	20	30		CCEDRM
C=C(CCC(=O)[O-])C(=O)N1CC(=O)N[C@H]2CCCC[C@H]21	ZINC001588612322	983702692	/nfs/dbraw/zinc/70/26/92/983702692.db2.gz	MVVCRUMRGXMAGR-WDEREUQCSA-N	-1	0	280.324	0.677	20	30		CCEDRM
C=C(CCC(=O)[O-])C(=O)N1CCO[C@@H]([C@H](C)O)C1	ZINC001588615283	983711041	/nfs/dbraw/zinc/71/10/41/983711041.db2.gz	PIGZUERRZZUHBP-VHSXEESVSA-N	-1	0	257.286	0.016	20	30		CCEDRM
C=C(CCC(=O)[O-])C(=O)N1CCNC(=O)[C@@H]1C(C)C	ZINC001588615535	983712487	/nfs/dbraw/zinc/71/24/87/983712487.db2.gz	XQFRAIUEBVHPCL-NSHDSACASA-N	-1	0	268.313	0.390	20	30		CCEDRM
C=C(CCC(=O)[O-])C(=O)N[C@H](C)C(=O)N[C@@H](C)CC	ZINC001588619058	983714655	/nfs/dbraw/zinc/71/46/55/983714655.db2.gz	JMZUMVRDTDWDAK-VHSXEESVSA-N	-1	0	270.329	0.827	20	30		CCEDRM
C=C(CCC(=O)[O-])C(=O)N1CCOC[C@@H]1c1noc(C)n1	ZINC001588619285	983715893	/nfs/dbraw/zinc/71/58/93/983715893.db2.gz	PVDBCHBWYXLHTR-SNVBAGLBSA-N	-1	0	295.295	0.699	20	30		CCEDRM
C=C(CCC(=O)[O-])C(=O)N[C@@H](C)c1noc(C)n1	ZINC001588621704	983720522	/nfs/dbraw/zinc/72/05/22/983720522.db2.gz	IMRSAGYATQOIQP-ZETCQYMHSA-N	-1	0	253.258	0.976	20	30		CCEDRM
C=C(CCC(=O)[O-])C(=O)N[C@@H](C)c1nnc2n1CCC2	ZINC001588621950	983721360	/nfs/dbraw/zinc/72/13/60/983721360.db2.gz	MQHHAZXSNGWRBP-VIFPVBQESA-N	-1	0	278.312	0.823	20	30		CCEDRM
C=C(CCC(=O)[O-])C(=O)N[C@@]1(C#N)CCSC1	ZINC001588621942	983721453	/nfs/dbraw/zinc/72/14/53/983721453.db2.gz	MMXZYOABPQSZHW-LLVKDONJSA-N	-1	0	254.311	0.923	20	30		CCEDRM
CCN(CCC#N)C(=O)CN1C[C@@H](OC)C[C@]1(C)C(=O)[O-]	ZINC001596299375	983723278	/nfs/dbraw/zinc/72/32/78/983723278.db2.gz	DWQIBUAAPCSIFY-SMDDNHRTSA-N	-1	0	297.355	0.313	20	30		CCEDRM
C=C(CCC(=O)[O-])C(=O)NCC(=O)OCC1CC1	ZINC001588622975	983725980	/nfs/dbraw/zinc/72/59/80/983725980.db2.gz	HYAJCVPBMULNIR-UHFFFAOYSA-N	-1	0	255.270	0.477	20	30		CCEDRM
C=C(CCC(=O)[O-])C(=O)N[C@H]1CCN(C(=O)CC)C1	ZINC001588623595	983729095	/nfs/dbraw/zinc/72/90/95/983729095.db2.gz	TYCZFLDJAJBZQL-JTQLQIEISA-N	-1	0	268.313	0.535	20	30		CCEDRM
C=C(CCC(=O)[O-])C(=O)NC[C@H]1CC(=O)N(CC)C1	ZINC001588624857	983735357	/nfs/dbraw/zinc/73/53/57/983735357.db2.gz	YTXKJVWWBWIRPH-SNVBAGLBSA-N	-1	0	268.313	0.392	20	30		CCEDRM
C=C(CCC(=O)[O-])C(=O)NCc1nnnn1CC1CC1	ZINC001588630293	983742874	/nfs/dbraw/zinc/74/28/74/983742874.db2.gz	HSUSVNIUGRUQRL-UHFFFAOYSA-N	-1	0	279.300	0.120	20	30		CCEDRM
C=C(CO)C(=O)N1C[C@@H](c2ccc(O)cc2)[C@H](C(=O)[O-])C1	ZINC001588637580	983760443	/nfs/dbraw/zinc/76/04/43/983760443.db2.gz	QLLPFMSCTJYBJG-QWHCGFSZSA-N	-1	0	291.303	0.567	20	30		CCEDRM
CCN(CCO)N=C1CCCn2nc(C(=O)[O-])cc21	ZINC001596340823	983789559	/nfs/dbraw/zinc/78/95/59/983789559.db2.gz	PJUFOSATMLAPGR-UHFFFAOYSA-N	-1	0	266.301	0.393	20	30		CCEDRM
C=C[C@H](C(=O)[O-])N1CCN(CC(=O)N[C@H](C)CC)CC1	ZINC001588668920	983807258	/nfs/dbraw/zinc/80/72/58/983807258.db2.gz	CQDGSZXNGPUSAC-VXGBXAGGSA-N	-1	0	283.372	0.158	20	30		CCEDRM
C=C[C@@H](C(=O)[O-])N1CCO[C@H](C(=O)OC(C)(C)C)C1	ZINC001588669706	983814030	/nfs/dbraw/zinc/81/40/30/983814030.db2.gz	NTLHWFCACPIXKF-UWVGGRQHSA-N	-1	0	271.313	0.668	20	30		CCEDRM
C=CC(C)(C)NC(=O)CN1CCC[C@H](C(=O)[O-])C1=O	ZINC001588681584	983840603	/nfs/dbraw/zinc/84/06/03/983840603.db2.gz	ZKCVBYCVTZIFRC-VIFPVBQESA-N	-1	0	268.313	0.390	20	30		CCEDRM
C=C[C@@](C)(O)CC(=O)N(C)[C@@H](COC1CCC1)C(=O)[O-]	ZINC001588684706	983863468	/nfs/dbraw/zinc/86/34/68/983863468.db2.gz	WVPGFVZGQQVKDB-SMDDNHRTSA-N	-1	0	285.340	0.794	20	30		CCEDRM
C=C[C@H](CC)OC(=O)CN1CCC[C@@H](C(=O)[O-])C1=O	ZINC001588692457	983881684	/nfs/dbraw/zinc/88/16/84/983881684.db2.gz	BYUHEEIEZHXNKY-NXEZZACHSA-N	-1	0	269.297	0.817	20	30		CCEDRM
C=C[C@@H](COC)NC(=O)c1cc(C(=O)[O-])nn1C	ZINC001588692750	983886233	/nfs/dbraw/zinc/88/62/33/983886233.db2.gz	JFTOTNHCZIZHJC-ZETCQYMHSA-N	-1	0	253.258	0.049	20	30		CCEDRM
C=C[C@H](COC)NS(=O)(=O)c1scnc1C(=O)[O-]	ZINC001588693096	983889934	/nfs/dbraw/zinc/88/99/34/983889934.db2.gz	RDTCKMUCXQTDMN-ZCFIWIBFSA-N	-1	0	292.338	0.321	20	30		CCEDRM
C=C[C@H](COC)NC(=O)Nc1cc(C(=O)[O-])nn1C	ZINC001588693113	983890979	/nfs/dbraw/zinc/89/09/79/983890979.db2.gz	RJUGKKSHMQLTKJ-SSDOTTSWSA-N	-1	0	268.273	0.441	20	30		CCEDRM
C=C[C@H](COC)NS(=O)(=O)C1CCC(C(=O)[O-])CC1	ZINC001588693473	983894512	/nfs/dbraw/zinc/89/45/12/983894512.db2.gz	ZGKVILZVOROXOM-HSOILSAZSA-N	-1	0	291.369	0.750	20	30		CCEDRM
C=C[C@@H](O)c1nnc(N2CC[C@@](F)(C(=O)[O-])C2)n1C	ZINC001588705820	983928219	/nfs/dbraw/zinc/92/82/19/983928219.db2.gz	POULUITYRZZKQF-HQJQHLMTSA-N	-1	0	270.264	0.038	20	30		CCEDRM
C=C[C@H](O)c1nnc(N2CC[C@](F)(C(=O)[O-])C2)n1C	ZINC001588705822	983928338	/nfs/dbraw/zinc/92/83/38/983928338.db2.gz	POULUITYRZZKQF-WRWORJQWSA-N	-1	0	270.264	0.038	20	30		CCEDRM
C=C[C@@H](OC(=O)[C@H](C)Sc1nncn1C)C(=O)[O-]	ZINC001588706199	983930334	/nfs/dbraw/zinc/93/03/34/983930334.db2.gz	WLKWORPOTBEAAW-NKWVEPMBSA-N	-1	0	271.298	0.478	20	30		CCEDRM
C=C[C@@H](OC(=O)/C=C\COC1CCOCC1)C(=O)[O-]	ZINC001588710721	983934263	/nfs/dbraw/zinc/93/42/63/983934263.db2.gz	IBUMJNOLLJCVJD-DLRQAJBASA-N	-1	0	270.281	0.921	20	30		CCEDRM
C=C[C@H](OC(=O)c1cn(C[C@H]2CCOC2)nn1)C(=O)[O-]	ZINC001588711590	983938740	/nfs/dbraw/zinc/93/87/40/983938740.db2.gz	BKRQZGUMLHCFOH-SCZZXKLOSA-N	-1	0	281.268	0.111	20	30		CCEDRM
C=C[C@H](OC(=O)c1cn(CC2(C)COC2)nn1)C(=O)[O-]	ZINC001588712848	983946415	/nfs/dbraw/zinc/94/64/15/983946415.db2.gz	OBNFOJAVOPGFSY-VIFPVBQESA-N	-1	0	281.268	0.111	20	30		CCEDRM
C=C[C@H](OC(=O)c1ccc(C(=O)[O-])[nH]1)C(=O)OCC	ZINC001588712838	983946515	/nfs/dbraw/zinc/94/65/15/983946515.db2.gz	OABUKFZTBIFDEL-VIFPVBQESA-N	-1	0	267.237	0.987	20	30		CCEDRM
C=CC[C@@H](C(=O)[O-])N1CC[C@H](C)S(=O)(=O)CC1	ZINC001588730169	983996289	/nfs/dbraw/zinc/99/62/89/983996289.db2.gz	WVMYAGNSFPRXAQ-UWVGGRQHSA-N	-1	0	261.343	0.525	20	30		CCEDRM
C=CC[C@@H](C)NC(=O)CN1CCC[C@@H](C(=O)[O-])C1=O	ZINC001588736956	984028269	/nfs/dbraw/zinc/02/82/69/984028269.db2.gz	ZYNYACUWBVLOFF-NXEZZACHSA-N	-1	0	268.313	0.390	20	30		CCEDRM
C=CC[C@H](N[C@H](C[C@@H]1CCCO1)C(=O)OC)C(=O)[O-]	ZINC001588746776	984060381	/nfs/dbraw/zinc/06/03/81/984060381.db2.gz	WCJZCBHLQYJJLS-GARJFASQSA-N	-1	0	271.313	0.716	20	30		CCEDRM
C=CC[C@H](OC(=O)CCc1cnn(C)c1)C(=O)[O-]	ZINC001588753337	984084965	/nfs/dbraw/zinc/08/49/65/984084965.db2.gz	FXSBIQGXMLUXKS-JTQLQIEISA-N	-1	0	252.270	0.925	20	30		CCEDRM
C=CC[C@H](OC(=O)c1c[nH]c(C(=O)OC)c1)C(=O)[O-]	ZINC001588756592	984098462	/nfs/dbraw/zinc/09/84/62/984098462.db2.gz	MAVBDKVGYMAILP-VIFPVBQESA-N	-1	0	267.237	0.987	20	30		CCEDRM
C=CC[C@@H](OC(=O)c1c(C)nn(C)c1OC)C(=O)[O-]	ZINC001588757102	984101457	/nfs/dbraw/zinc/10/14/57/984101457.db2.gz	VJJHPEHXPWVKLH-MRVPVSSYSA-N	-1	0	268.269	0.923	20	30		CCEDRM
C=CCC1(C(=O)N2C[C@H](O)C[C@@H](C(=O)[O-])C2)CCOCC1	ZINC001588762667	984116799	/nfs/dbraw/zinc/11/67/99/984116799.db2.gz	LGTYIZZRAITWAY-VXGBXAGGSA-N	-1	0	297.351	0.653	20	30		CCEDRM
C=CCC1(O)CN(C(=O)C23CC(C(=O)[O-])(C2)C3)C1	ZINC001588770984	984136951	/nfs/dbraw/zinc/13/69/51/984136951.db2.gz	KVEQUGIUQZGUIC-UHFFFAOYSA-N	-1	0	251.282	0.391	20	30		CCEDRM
C=CC[C@@H]1CCN(C(=O)C(=O)NC[C@H]2C[C@H]2C(=O)[O-])C1	ZINC001588772700	984144566	/nfs/dbraw/zinc/14/45/66/984144566.db2.gz	MEADHHMCSPKZBK-GMTAPVOTSA-N	-1	0	280.324	0.248	20	30		CCEDRM
C=CCCNC(=O)C(=O)Nc1cnn(C(C)(C)C(=O)[O-])c1	ZINC001588807640	984260660	/nfs/dbraw/zinc/26/06/60/984260660.db2.gz	PMDDLIQIJLNPBL-UHFFFAOYSA-N	-1	0	294.311	0.334	20	30		CCEDRM
C=CCN(CCC#N)C(=O)Cn1cc(C(=O)[O-])cn1	ZINC001588826481	984303727	/nfs/dbraw/zinc/30/37/27/984303727.db2.gz	FLIAEHGJSFUXBG-UHFFFAOYSA-N	-1	0	262.269	0.510	20	30		CCEDRM
C=CCN(CCC#N)S(=O)(=O)CC1(C(=O)[O-])CCC1	ZINC001588826641	984305187	/nfs/dbraw/zinc/30/51/87/984305187.db2.gz	OEENCYUXVWARSM-UHFFFAOYSA-N	-1	0	286.353	0.973	20	30		CCEDRM
C=CCN1CC[C@@H](SC[C@H](NC(C)=O)C(=O)[O-])C1=O	ZINC001588839901	984351558	/nfs/dbraw/zinc/35/15/58/984351558.db2.gz	XRTWWFOFQNJZOM-VHSXEESVSA-N	-1	0	286.353	0.096	20	30		CCEDRM
C=CCNC(=O)CNC(=O)N[C@H]1C[C@H]2C[C@H](C(=O)[O-])C[C@H]21	ZINC001588844321	984357457	/nfs/dbraw/zinc/35/74/57/984357457.db2.gz	GZMJGBGGLVFIPR-YTWAJWBKSA-N	-1	0	295.339	0.087	20	30		CCEDRM
C=CCNS(=O)(=O)c1ccc(OC)cc1C(=O)[O-]	ZINC001588847515	984364457	/nfs/dbraw/zinc/36/44/57/984364457.db2.gz	BOVUZFYYBBQQIA-UHFFFAOYSA-N	-1	0	271.294	0.858	20	30		CCEDRM
C=CCOC[C@@H](NC(=O)/C=C\C1CCOCC1)C(=O)[O-]	ZINC001588853839	984386887	/nfs/dbraw/zinc/38/68/87/984386887.db2.gz	JLYJWURHEWMZMI-VSQXVHSFSA-N	-1	0	283.324	0.741	20	30		CCEDRM
C=CCOC[C@@H](NC(=O)[C@@H](C)n1cccc1)C(=O)[O-]	ZINC001588855441	984392543	/nfs/dbraw/zinc/39/25/43/984392543.db2.gz	GWOMJBUZSLKYRF-GHMZBOCLSA-N	-1	0	266.297	0.821	20	30		CCEDRM
C=CCOC[C@@H](NC(=O)[C@@H]1CC12CCC2)C(=O)[O-]	ZINC001588856026	984396731	/nfs/dbraw/zinc/39/67/31/984396731.db2.gz	UOWQRHXLEIQYPE-VHSXEESVSA-N	-1	0	253.298	0.949	20	30		CCEDRM
C=CCOC[C@@H](NC(=O)c1[nH]cnc1CC)C(=O)[O-]	ZINC001588856098	984397097	/nfs/dbraw/zinc/39/70/97/984397097.db2.gz	CHDBWKUYHOQISK-SECBINFHSA-N	-1	0	267.285	0.358	20	30		CCEDRM
C=CCOC[C@H](NC(=O)c1nccn1C(C)C)C(=O)[O-]	ZINC001588860063	984410072	/nfs/dbraw/zinc/41/00/72/984410072.db2.gz	HQLIRAGPERDADX-JTQLQIEISA-N	-1	0	281.312	0.850	20	30		CCEDRM
C=CCOC[C@@H](NC(=O)c1ncc(C#N)cc1C)C(=O)[O-]	ZINC001588860211	984411781	/nfs/dbraw/zinc/41/17/81/984411781.db2.gz	MJEJEZWWAIERRI-LLVKDONJSA-N	-1	0	289.291	0.647	20	30		CCEDRM
C=CCOC[C@H](NS(=O)(=O)c1ccccn1)C(=O)[O-]	ZINC001588866253	984423868	/nfs/dbraw/zinc/42/38/68/984423868.db2.gz	CNUJRLUYZAYKBT-VIFPVBQESA-N	-1	0	286.309	0.016	20	30		CCEDRM
C=CCn1cc(C(=O)N[C@H](CCF)C(=O)[O-])nn1	ZINC001588909891	984545762	/nfs/dbraw/zinc/54/57/62/984545762.db2.gz	CWMIJEDLCNMYRE-SSDOTTSWSA-N	-1	0	256.237	0.007	20	30		CCEDRM
C=CCn1nnnc1N(C[C@H](C)C(=O)[O-])C1CC1	ZINC001588913086	984554514	/nfs/dbraw/zinc/55/45/14/984554514.db2.gz	XFUYVCSRPPISSE-QMMMGPOBSA-N	-1	0	251.290	0.549	20	30		CCEDRM
C=C[C@@H]1OCCC[C@H]1NC(=O)N1CCO[C@@H](CC(=O)[O-])C1	ZINC001588914481	984558465	/nfs/dbraw/zinc/55/84/65/984558465.db2.gz	YFIUCLFZZQAKQD-TUAOUCFPSA-N	-1	0	298.339	0.605	20	30		CCEDRM
C=C[C@@H]1OCC[C@H]1C(=O)N1CC[C@@H](OC)C[C@H]1C(=O)[O-]	ZINC001588917315	984566503	/nfs/dbraw/zinc/56/65/03/984566503.db2.gz	WBCFJKWHJZJGMO-WYUUTHIRSA-N	-1	0	283.324	0.668	20	30		CCEDRM
C=C[C@@H]1OCC[C@H]1CNC(=O)N1CCO[C@@H](CC(=O)[O-])C1	ZINC001588917997	984568625	/nfs/dbraw/zinc/56/86/25/984568625.db2.gz	OPJULFPDJXEURR-SRVKXCTJSA-N	-1	0	298.339	0.463	20	30		CCEDRM
C=C[C@H](CO)NCC(=O)Nc1cccc(C(=O)[O-])c1	ZINC001588919341	984571170	/nfs/dbraw/zinc/57/11/70/984571170.db2.gz	IFSQDUPRYRMTKN-SNVBAGLBSA-N	-1	0	264.281	0.460	20	30		CCEDRM
CC#CCCCC(=O)N1CC(NC(=O)[C@H]2C[C@H]2C(=O)[O-])C1	ZINC001588924722	984582646	/nfs/dbraw/zinc/58/26/46/984582646.db2.gz	CCKUCCQGTDBRDM-NWDGAFQWSA-N	-1	0	292.335	0.228	20	30		CCEDRM
CC#CCCN1C[C@@H](C(=O)[O-])CC[C@@H]1C(=O)OC	ZINC001588927153	984597229	/nfs/dbraw/zinc/59/72/29/984597229.db2.gz	OYIIQOGEUVRFIZ-WDEREUQCSA-N	-1	0	253.298	0.738	20	30		CCEDRM
CC#CCn1nnnc1N1CCC[C@H](CCC(=O)[O-])C1	ZINC001588932562	984609349	/nfs/dbraw/zinc/60/93/49/984609349.db2.gz	YKFYFKHRNOOVDV-LLVKDONJSA-N	-1	0	277.328	0.778	20	30		CCEDRM
CCOC1CC2(C[C@H]2C(=O)N(CC#N)CC(=O)[O-])C1	ZINC001596847653	985561710	/nfs/dbraw/zinc/56/17/10/985561710.db2.gz	YDLBDWRMZFYEKW-QUNCOHTASA-N	-1	0	266.297	0.628	20	30		CCEDRM
Cc1c(C#N)cccc1C(=O)NC[C@@H](O)CC(=O)[O-]	ZINC001599973055	986041796	/nfs/dbraw/zinc/04/17/96/986041796.db2.gz	GDMXSEJWMBEGHY-JTQLQIEISA-N	-1	0	262.265	0.432	20	30		CCEDRM
Cc1c(C(=O)N2CC(C(=O)[O-])C2)cnn1CCC#N	ZINC001599975930	986090650	/nfs/dbraw/zinc/09/06/50/986090650.db2.gz	YSYDKLKLJFGFMH-UHFFFAOYSA-N	-1	0	262.269	0.262	20	30		CCEDRM
C[C@@H](C#N)CN(C)S(=O)(=O)C1(C(=O)[O-])CCC1	ZINC001589331036	986182971	/nfs/dbraw/zinc/18/29/71/986182971.db2.gz	YUWLQVICGBFVNA-QMMMGPOBSA-N	-1	0	260.315	0.415	20	30		CCEDRM
C[C@@H](C#N)N(C(=O)[C@H]1C[C@@H](C)[C@H](C(=O)[O-])O1)C1CC1	ZINC001589331378	986185515	/nfs/dbraw/zinc/18/55/15/986185515.db2.gz	CMJLQLBXIAPMAP-JZSSXWJLSA-N	-1	0	266.297	0.768	20	30		CCEDRM
Cc1c(C(=O)N[C@H](C)CC(=O)[O-])cnn1CCC#N	ZINC001599982716	986186269	/nfs/dbraw/zinc/18/62/69/986186269.db2.gz	SWTRVOIBDKKXQL-MRVPVSSYSA-N	-1	0	264.285	0.698	20	30		CCEDRM
C[C@@H](C#N)N(C(=O)CN1CCC[C@@H](C(=O)[O-])C1=O)C1CC1	ZINC001589331589	986188715	/nfs/dbraw/zinc/18/87/15/986188715.db2.gz	IWPJUMFLPXLIIK-GXSJLCMTSA-N	-1	0	293.323	0.213	20	30		CCEDRM
CCOP(=O)(OCC)[C@@H](O)CN(CC#N)CC(=O)[O-]	ZINC001596974835	986208720	/nfs/dbraw/zinc/20/87/20/986208720.db2.gz	WCVZJOJZIIZHIM-SNVBAGLBSA-N	-1	0	294.244	0.481	20	30		CCEDRM
C[C@@H](C(=O)N1CCC(C(=O)[O-])CC1)N1CCC[C@@H](C#N)C1	ZINC001589349391	986300442	/nfs/dbraw/zinc/30/04/42/986300442.db2.gz	GSKNIMKHIFHBJM-RYUDHWBXSA-N	-1	0	293.367	0.934	20	30		CCEDRM
C[C@H]1CN(c2ccc(C(=O)[O-])nc2C#N)CC[S@](=O)C1	ZINC001594568763	986374179	/nfs/dbraw/zinc/37/41/79/986374179.db2.gz	MJYRCBAKFISMJA-LXGOIASLSA-N	-1	0	293.348	0.856	20	30		CCEDRM
C[C@H]1CN(c2cnc(C(=O)[O-])cn2)C[C@H](C)N1CC#N	ZINC001594583915	986453041	/nfs/dbraw/zinc/45/30/41/986453041.db2.gz	UOOYLVFNZBNQLP-UWVGGRQHSA-N	-1	0	275.312	0.597	20	30		CCEDRM
CC[C@H](C#N)C(=O)N1CCC2(CC(C(=O)[O-])=NO2)CC1	ZINC001594722640	987214723	/nfs/dbraw/zinc/21/47/23/987214723.db2.gz	RUEJTCNYMSPBNL-SECBINFHSA-N	-1	0	279.296	0.758	20	30		CCEDRM
CC[C@H](C#N)C(=O)NCC1(CC(=O)[O-])CCOCC1	ZINC001594722652	987214766	/nfs/dbraw/zinc/21/47/66/987214766.db2.gz	SBEYSKVDPXUJFX-SNVBAGLBSA-N	-1	0	268.313	0.924	20	30		CCEDRM
CC[C@@H](C#N)OC(=O)Cn1cccc(C(=O)[O-])c1=O	ZINC001594725004	987225255	/nfs/dbraw/zinc/22/52/55/987225255.db2.gz	IAPCFMZFEYGPIN-QMMMGPOBSA-N	-1	0	264.237	0.392	20	30		CCEDRM
CC[C@H](C#N)N(CC)C(=O)[C@@H]1CC[C@H](C(=O)[O-])O1	ZINC001594724999	987225260	/nfs/dbraw/zinc/22/52/60/987225260.db2.gz	HVRPSKQQZUSMLI-KXUCPTDWSA-N	-1	0	254.286	0.769	20	30		CCEDRM
CC(C)(C#N)CC(=O)N[C@](C)(Cn1cccn1)C(=O)[O-]	ZINC001589553679	987292582	/nfs/dbraw/zinc/29/25/82/987292582.db2.gz	GDRBJXHATXSQOH-CYBMUJFWSA-N	-1	0	278.312	0.782	20	30		CCEDRM
CC(C)(C)[C@H](C#N)NS(=O)(=O)c1cncc(C(=O)[O-])c1	ZINC001589700164	987790292	/nfs/dbraw/zinc/79/02/92/987790292.db2.gz	VHJICBIAYWEWOI-JTQLQIEISA-N	-1	0	297.336	0.996	20	30		CCEDRM
C[C@@H](C#N)NS(=O)(=O)c1ccc(C2(C(=O)[O-])CC2)cc1	ZINC001599830249	988661572	/nfs/dbraw/zinc/66/15/72/988661572.db2.gz	JEZVBSWBMFXFBQ-VIFPVBQESA-N	-1	0	294.332	0.993	20	30		CCEDRM
C[C@@H]1CN(C(=O)c2ccc(C#N)cc2)C[C@@H](C(=O)[O-])O1	ZINC001599863050	989201438	/nfs/dbraw/zinc/20/14/38/989201438.db2.gz	HJPFQVJURUTJBJ-SKDRFNHKSA-N	-1	0	274.276	0.872	20	30		CCEDRM
CC(C)(C)OC(=O)N[C@H](CCC(=O)[O-])C(=O)NCC#N	ZINC001590117308	989321188	/nfs/dbraw/zinc/32/11/88/989321188.db2.gz	LBKBZOYTWDETKB-MRVPVSSYSA-N	-1	0	285.300	0.384	20	30		CCEDRM
C[C@@H]1CN(c2nnc([C@@H]3C[C@H]3C#N)n2C)C[C@@H](C(=O)[O-])O1	ZINC001599869559	989326991	/nfs/dbraw/zinc/32/69/91/989326991.db2.gz	GBHPLCGTDNDZIF-RGOKHQFPSA-N	-1	0	291.311	0.120	20	30		CCEDRM
CCc1oc(C=NNC(=S)NC)cc1C(=O)[O-]	ZINC001597792991	989339765	/nfs/dbraw/zinc/33/97/65/989339765.db2.gz	PDVVZGGUVWXFHH-UHFFFAOYSA-N	-1	0	255.299	0.968	20	30		CCEDRM
CCn1ncnc1Cn1cc(C(=O)[O-])cc(C#N)c1=O	ZINC001597972545	990022998	/nfs/dbraw/zinc/02/29/98/990022998.db2.gz	AENUZLPMTQRPGZ-UHFFFAOYSA-N	-1	0	273.252	0.078	20	30		CCEDRM
CN(C(C)(C)C(=O)[O-])S(=O)(=O)CC1(C#N)CCC1	ZINC001598106951	990491124	/nfs/dbraw/zinc/49/11/24/990491124.db2.gz	ZCZYZAASAVOKBP-UHFFFAOYSA-N	-1	0	274.342	0.805	20	30		CCEDRM
CC(C)(NC(=O)NCCC#N)c1cc(C(=O)[O-])on1	ZINC001590849327	990730831	/nfs/dbraw/zinc/73/08/31/990730831.db2.gz	UCWPUKKIPDOCQB-UHFFFAOYSA-N	-1	0	266.257	0.821	20	30		CCEDRM
CN(CC#N)C1CCN(C(=O)[C@@H]2C[C@@H]2C(=O)[O-])CC1	ZINC001598376405	991566102	/nfs/dbraw/zinc/56/61/02/991566102.db2.gz	SSKAQUFZKABWPG-MNOVXSKESA-N	-1	0	265.313	0.153	20	30		CCEDRM
CN(CC(=O)NCC#N)c1ccc(OCC(=O)[O-])cc1	ZINC001598392635	991648765	/nfs/dbraw/zinc/64/87/65/991648765.db2.gz	UBPBQNQYQCSAJU-UHFFFAOYSA-N	-1	0	277.280	0.226	20	30		CCEDRM
CN(C[C@H](O)c1cccc(C#N)c1)C(=O)C1(C(=O)[O-])CC1	ZINC001598437271	991843019	/nfs/dbraw/zinc/84/30/19/991843019.db2.gz	PONYXDKYGAECMR-LBPRGKRZSA-N	-1	0	288.303	0.915	20	30		CCEDRM
CN(C[C@@H]1COCCO1)c1ccc(C(=O)[O-])nc1C#N	ZINC001598466525	991971062	/nfs/dbraw/zinc/97/10/62/991971062.db2.gz	BRNLUXNXTHMLLH-SECBINFHSA-N	-1	0	277.280	0.503	20	30		CCEDRM
CS(=O)(=O)[C@H]1C[C@]1(CNc1ccc(C#N)cn1)C(=O)[O-]	ZINC001599764041	992160310	/nfs/dbraw/zinc/16/03/10/992160310.db2.gz	ZUQBFZGCVLCROO-JOYOIKCWSA-N	-1	0	295.320	0.253	20	30		CCEDRM
C[C@@](O)(CNc1c(C#N)nnc2ccccc21)C(=O)[O-]	ZINC001593416851	995201255	/nfs/dbraw/zinc/20/12/55/995201255.db2.gz	HTFHPJHWZGAIGP-CYBMUJFWSA-N	-1	0	272.264	0.749	20	30		CCEDRM
COC(=O)C1(C#N)CCN(C(=O)[C@@H](C)CC(=O)[O-])CC1	ZINC001598715947	995409331	/nfs/dbraw/zinc/40/93/31/995409331.db2.gz	RVCNFHZMXWVFEU-VIFPVBQESA-N	-1	0	282.296	0.403	20	30		CCEDRM
CC(C)[C@@](C)(C#N)NC(=O)[C@@H](C)OC(=O)C1(C(=O)[O-])CC1	ZINC001593490175	995453325	/nfs/dbraw/zinc/45/33/25/995453325.db2.gz	ATWMZWBSGIEQTD-NOZJJQNGSA-N	-1	0	296.323	0.837	20	30		CCEDRM
C[C@@H](OC(=O)Cc1ccc(C#N)nc1)C(=O)C(=O)[O-]	ZINC001593534845	995592123	/nfs/dbraw/zinc/59/21/23/995592123.db2.gz	JEEYTYHMYUKSRO-SSDOTTSWSA-N	-1	0	262.221	0.081	20	30		CCEDRM
C[C@@H](OC(=O)c1cc(C#N)cs1)C(=O)C(=O)[O-]	ZINC001593552712	995631607	/nfs/dbraw/zinc/63/16/07/995631607.db2.gz	GHXKCGOJXAHLQB-RXMQYKEDSA-N	-1	0	253.235	0.819	20	30		CCEDRM
COC(=O)[C@@H]1C[C@H](C(=O)[O-])CCN1Cc1ccc(C#N)o1	ZINC001598758714	995752402	/nfs/dbraw/zinc/75/24/02/995752402.db2.gz	LYHDVQPONHJBPZ-SKDRFNHKSA-N	-1	0	292.291	0.989	20	30		CCEDRM
C[C@@H](Oc1ccc(C#N)cc1)C(=O)N[C@@H](CF)C(=O)[O-]	ZINC001593611491	995808132	/nfs/dbraw/zinc/80/81/32/995808132.db2.gz	CIBVNEJWXXTTRS-KCJUWKMLSA-N	-1	0	280.255	0.864	20	30		CCEDRM
C[C@H](Sc1ccccc1C(=O)N[C@@H](C#N)CO)C(=O)[O-]	ZINC001593668673	996065708	/nfs/dbraw/zinc/06/57/08/996065708.db2.gz	HJSWURRMEYYGGO-IUCAKERBSA-N	-1	0	294.332	0.866	20	30		CCEDRM
COC(=O)[C@@H]1CCN(c2ccc(C(=O)[O-])nc2C#N)C1	ZINC001598801392	996141314	/nfs/dbraw/zinc/14/13/14/996141314.db2.gz	YLDYHMPRLMHVFS-MRVPVSSYSA-N	-1	0	275.264	0.651	20	30		CCEDRM
COC(=O)CCN(CC#N)C[C@@H]1[C@H](C(=O)[O-])C1(F)F	ZINC001598855675	996636304	/nfs/dbraw/zinc/63/63/04/996636304.db2.gz	XOXNUMCYRVDUDL-VXNVDRBHSA-N	-1	0	276.239	0.341	20	30		CCEDRM
COC(=O)CN(CC(=O)[O-])Cc1ccnc(C#N)c1	ZINC001598861889	996681619	/nfs/dbraw/zinc/68/16/19/996681619.db2.gz	RILLQDLJYASJON-UHFFFAOYSA-N	-1	0	263.253	0.013	20	30		CCEDRM
COC[C@@H](NC(=O)c1sccc1C#N)C(=O)[O-]	ZINC001599174642	996817990	/nfs/dbraw/zinc/81/79/90/996817990.db2.gz	WICHUAMQQNIHRK-SSDOTTSWSA-N	-1	0	254.267	0.449	20	30		CCEDRM
CC1(C)OCC[C@@H]1NC(=O)N1CCC(C#N)(C(=O)[O-])CC1	ZINC001593981785	997206520	/nfs/dbraw/zinc/20/65/20/997206520.db2.gz	NPMSHRXLIZUCMG-JTQLQIEISA-N	-1	0	295.339	0.954	20	30		CCEDRM
COCCCNN=Cc1c(C)nn(CCC(=O)[O-])c1C	ZINC001599227655	997788128	/nfs/dbraw/zinc/78/81/28/997788128.db2.gz	YOGUSEDOOOYEQK-UHFFFAOYSA-N	-1	0	282.344	0.935	20	30		CCEDRM
COCCN(CC#N)C(=O)c1ccnc(C(=O)[O-])c1	ZINC001599230949	997851761	/nfs/dbraw/zinc/85/17/61/997851761.db2.gz	IBPOOTQSVXKWOS-UHFFFAOYSA-N	-1	0	263.253	0.392	20	30		CCEDRM
COCCN(CC#N)C(=O)CCSCC(=O)[O-]	ZINC001599231200	997858401	/nfs/dbraw/zinc/85/84/01/997858401.db2.gz	PLEXDXSUVDQGAV-UHFFFAOYSA-N	-1	0	260.315	0.193	20	30		CCEDRM
COCC#CC(=O)N(C)c1ccc(OCC(=O)[O-])cc1	ZINC001599139066	998096021	/nfs/dbraw/zinc/09/60/21/998096021.db2.gz	RWMOEPYLRKSQPS-UHFFFAOYSA-N	-1	0	277.276	0.763	20	30		CCEDRM
COCCOC1CN(c2ccc(C(=O)[O-])nc2C#N)C1	ZINC001599250208	998215632	/nfs/dbraw/zinc/21/56/32/998215632.db2.gz	VWZFXASUZQCIHC-UHFFFAOYSA-N	-1	0	277.280	0.503	20	30		CCEDRM
COC[C@](C)(CC(=O)[O-])NC(=O)c1ncc(C#N)cc1C	ZINC001599149469	998270239	/nfs/dbraw/zinc/27/02/39/998270239.db2.gz	ZJEQRGPJCGFSNB-AWEZNQCLSA-N	-1	0	291.307	0.871	20	30		CCEDRM
COC[C@](C)(NCC(=O)N[C@](C)(C#N)C(C)C)C(=O)[O-]	ZINC001599154337	998344102	/nfs/dbraw/zinc/34/41/02/998344102.db2.gz	KWIZFQRXENKZCT-OLZOCXBDSA-N	-1	0	285.344	0.120	20	30		CCEDRM
C[C@@H]1[C@@H](C(=O)[O-])CCN1C(=O)c1cc(C#N)ccn1	ZINC001594158644	998586837	/nfs/dbraw/zinc/58/68/37/998586837.db2.gz	KUSSRIHZPMHNKM-SCZZXKLOSA-N	-1	0	259.265	0.888	20	30		CCEDRM
COC[C@H](NC(=O)Cc1ccccc1CC#N)C(=O)[O-]	ZINC001599169527	998591859	/nfs/dbraw/zinc/59/18/59/998591859.db2.gz	CVVGTOIUBRBIJN-LBPRGKRZSA-N	-1	0	276.292	0.511	20	30		CCEDRM
C[C@H]1[C@@H](C(=O)[O-])CCN1C(=O)c1cccc(C#CCO)c1	ZINC001594159731	998594195	/nfs/dbraw/zinc/59/41/95/998594195.db2.gz	UXJYCTVNGWOCRT-FZMZJTMJSA-N	-1	0	287.315	0.966	20	30		CCEDRM
COC(=O)c1cccc(C(=O)N(CC#N)CCC(=O)[O-])n1	ZINC001598991101	998738185	/nfs/dbraw/zinc/73/81/85/998738185.db2.gz	BKKLAACFZUOAGM-UHFFFAOYSA-N	-1	0	291.263	0.309	20	30		CCEDRM
CC1CCC(NC(=O)CN(CC#N)CCC(=O)[O-])CC1	ZINC001594313648	999205722	/nfs/dbraw/zinc/20/57/22/999205722.db2.gz	LMVROUAEMYLONG-UHFFFAOYSA-N	-1	0	281.356	0.982	20	30		CCEDRM
CCC[C@H](NC(=O)Cc1ccc(C#N)nc1)c1nnn[n-]1	ZINC000599652286	361773499	/nfs/dbraw/zinc/77/34/99/361773499.db2.gz	LGHQRIZRDDPFSZ-NSHDSACASA-N	-1	0	285.311	0.666	20	30		CCEDRM
CN(C)C(=O)[C@@H]1CCCN1C(=O)c1cc(O)cc(C#N)c1	ZINC000600375968	361936405	/nfs/dbraw/zinc/93/64/05/361936405.db2.gz	OVOAKHZBRCPPLT-ZDUSSCGKSA-N	-1	0	287.319	0.957	20	30		CCEDRM
N#Cc1c[n-]c(=O)n(Cc2ccccc2OC2CC2)c1=O	ZINC000600556970	362008739	/nfs/dbraw/zinc/00/87/39/362008739.db2.gz	OGDLHSKUEQDYNF-UHFFFAOYSA-N	-1	0	283.287	0.998	20	30		CCEDRM
Cc1nc(NC[C@]2(C(=O)[O-])CCCOC2)ccc1C#N	ZINC000600942812	362095320	/nfs/dbraw/zinc/09/53/20/362095320.db2.gz	IWGVCRXNONEHKC-CQSZACIVSA-N	-1	0	275.308	0.977	20	30		CCEDRM
C=C(C)C[C@H](NC(=O)c1c([N+](=O)[O-])cnn1C)C(=O)[O-]	ZINC000600872004	362084513	/nfs/dbraw/zinc/08/45/13/362084513.db2.gz	GRYJLBVJRNTIAQ-ZETCQYMHSA-N	-1	0	282.256	0.478	20	30		CCEDRM
C#CCO[C@@H](C)C(=O)N[C@H](CCC)c1nnn[n-]1	ZINC000295076681	199333742	/nfs/dbraw/zinc/33/37/42/199333742.db2.gz	WKNFYLOPFSYNAL-DTWKUNHWSA-N	-1	0	251.290	0.195	20	30		CCEDRM
Cc1[n-][nH]c(=NC(=O)c2ccc(CN(C)C)nc2)c1C#N	ZINC000601678066	362351318	/nfs/dbraw/zinc/35/13/18/362351318.db2.gz	BSHJRKIRCUXRSA-UHFFFAOYSA-N	-1	0	284.323	0.721	20	30		CCEDRM
Cc1ncc2n1C[C@H](C(=O)N=c1[nH][n-]c(C)c1C#N)CC2	ZINC000601679652	362352552	/nfs/dbraw/zinc/35/25/52/362352552.db2.gz	MOCYPTIBEDUSHB-SNVBAGLBSA-N	-1	0	284.323	0.718	20	30		CCEDRM
Cc1cc(C)n([C@@H](C)C(=O)N=c2[nH][n-]cc2C#N)n1	ZINC000601638989	362335601	/nfs/dbraw/zinc/33/56/01/362335601.db2.gz	FWCXUROHQLEOJG-VIFPVBQESA-N	-1	0	258.285	0.716	20	30		CCEDRM
COC(C)(C)c1nc(=NC(=O)[C@@H](C)C#N)s[n-]1	ZINC000601797274	362395388	/nfs/dbraw/zinc/39/53/88/362395388.db2.gz	SYERRJKXEVAVKS-LURJTMIESA-N	-1	0	254.315	0.940	20	30		CCEDRM
C[C@H]1CCCN(C(=O)CCn2cc(C#N)c(=O)[n-]c2=O)C1	ZINC000602028103	362463554	/nfs/dbraw/zinc/46/35/54/362463554.db2.gz	ZASWTAWDAMIXAQ-JTQLQIEISA-N	-1	0	290.323	0.469	20	30		CCEDRM
C[C@H]1CCN(C(=O)Cn2cc(C#N)c(=O)[n-]c2=O)[C@H]1C	ZINC000602117454	362498579	/nfs/dbraw/zinc/49/85/79/362498579.db2.gz	QTRADHUMBPABOY-IUCAKERBSA-N	-1	0	276.296	0.077	20	30		CCEDRM
CN(CCC1CC1)C(=O)Cn1cc(C#N)c(=O)[n-]c1=O	ZINC000602129572	362508131	/nfs/dbraw/zinc/50/81/31/362508131.db2.gz	QFCMXYFGFVAZAY-UHFFFAOYSA-N	-1	0	276.296	0.079	20	30		CCEDRM
N#Cc1c[n-][nH]c1=NC(=O)[C@H]1CCN1C1CCCC1	ZINC000602162778	362535718	/nfs/dbraw/zinc/53/57/18/362535718.db2.gz	FRUNTPYXZWQTKF-LLVKDONJSA-N	-1	0	259.313	0.659	20	30		CCEDRM
N#Cc1cc([N+](=O)[O-])cnc1NCc1n[nH]c(=O)[n-]1	ZINC000342198170	137087720	/nfs/dbraw/zinc/08/77/20/137087720.db2.gz	HLBHLKNQXOMKQG-UHFFFAOYSA-N	-1	0	261.201	0.297	20	30		CCEDRM
Cn1cc(C#N)c(=NC(=O)NCC[C@@H]2CC2(F)F)[n-]1	ZINC000602886609	362866186	/nfs/dbraw/zinc/86/61/86/362866186.db2.gz	KEIRVHZJLFNSPQ-MRVPVSSYSA-N	-1	0	269.255	0.880	20	30		CCEDRM
Cc1nc(C(=O)N2CC[C@@H](C(=O)[O-])C2)ccc1C#N	ZINC000062117810	348665421	/nfs/dbraw/zinc/66/54/21/348665421.db2.gz	RZJSHCDKTDXWBH-SNVBAGLBSA-N	-1	0	259.265	0.808	20	30		CCEDRM
C[C@H](OC[C@@H]1CCCO1)C(=O)Nc1nc(C#N)c(C#N)[n-]1	ZINC000069127819	348832328	/nfs/dbraw/zinc/83/23/28/348832328.db2.gz	WHPFLQIFPGQNBP-IUCAKERBSA-N	-1	0	289.295	0.676	20	30		CCEDRM
CCn1cnc(S(=O)(=O)[N-]c2ccc(C#N)cn2)c1	ZINC000081685116	349279576	/nfs/dbraw/zinc/27/95/76/349279576.db2.gz	NWLJDHARZXPYTF-UHFFFAOYSA-N	-1	0	277.309	0.970	20	30		CCEDRM
Cn1nnc([N-]S(=O)(=O)c2ccc(C#N)c(Cl)c2)n1	ZINC000126607981	350150163	/nfs/dbraw/zinc/15/01/63/350150163.db2.gz	KIFXOZIXPJEJMO-UHFFFAOYSA-N	-1	0	298.715	0.536	20	30		CCEDRM
N#Cc1cccc(C(=O)NC2(C(=O)[O-])CCOCC2)c1	ZINC000131762524	350286133	/nfs/dbraw/zinc/28/61/33/350286133.db2.gz	ODDXFMPGMZSOKT-UHFFFAOYSA-N	-1	0	274.276	0.922	20	30		CCEDRM
C[C@@H](NS(=O)(=O)c1ccccc1C#N)[C@H](C)C(=O)[O-]	ZINC000133253091	350330119	/nfs/dbraw/zinc/33/01/19/350330119.db2.gz	VMUPMZPWCNYGNU-DTWKUNHWSA-N	-1	0	282.321	0.946	20	30		CCEDRM
C[C@@H](CNS(=O)(=O)c1ccc(C#N)c(F)c1)C(=O)[O-]	ZINC000291950216	198115007	/nfs/dbraw/zinc/11/50/07/198115007.db2.gz	ZSOPFGBYKCRVAH-ZETCQYMHSA-N	-1	0	286.284	0.696	20	30		CCEDRM
C[C@@H](NS(=O)(=O)c1ccc(C#N)nc1)[C@H](C)C(=O)[O-]	ZINC000228698932	352080750	/nfs/dbraw/zinc/08/07/50/352080750.db2.gz	BBFBSUHUUCOYBJ-JGVFFNPUSA-N	-1	0	283.309	0.341	20	30		CCEDRM
N#Cc1ccc(S(=O)(=O)N2CC[C@@H](CC(=O)[O-])C2)cn1	ZINC000228698237	352080808	/nfs/dbraw/zinc/08/08/08/352080808.db2.gz	LUGXBTIJYCPDCY-VIFPVBQESA-N	-1	0	295.320	0.439	20	30		CCEDRM
C=CC[C@H](NS(=O)(=O)c1ccc2c(c1)OCO2)C(=O)[O-]	ZINC000274896189	353170996	/nfs/dbraw/zinc/17/09/96/353170996.db2.gz	HEKRSWCXWCZRNL-VIFPVBQESA-N	-1	0	299.304	0.723	20	30		CCEDRM
CC(C)n1cc(S(=O)(=O)[N-]c2c(C#N)cnn2C)cn1	ZINC000156284701	188253396	/nfs/dbraw/zinc/25/33/96/188253396.db2.gz	KYTYBXVQQCPXGK-UHFFFAOYSA-N	-1	0	294.340	0.870	20	30		CCEDRM
N#Cc1ccc(NC(=O)C(=O)N2CCC[C@@H]2C(=O)[O-])cc1	ZINC000422665022	234844436	/nfs/dbraw/zinc/84/44/36/234844436.db2.gz	UNIFQPCLEIYOLM-LLVKDONJSA-N	-1	0	287.275	0.572	20	30		CCEDRM
CCS(=O)(=O)[N-]c1nc2n(c1C#N)CCS2	ZINC000424217110	235182473	/nfs/dbraw/zinc/18/24/73/235182473.db2.gz	XBXLXNODDCOYHO-UHFFFAOYSA-N	-1	0	258.328	0.622	20	30		CCEDRM
C[C@@H](C(=O)N=c1cc(C(F)(F)F)[n-][nH]1)n1cnc(C#N)n1	ZINC000336972493	355236394	/nfs/dbraw/zinc/23/63/94/355236394.db2.gz	QQKIVSYXWAPVFG-YFKPBYRVSA-N	-1	0	299.216	0.513	20	30		CCEDRM
C=CC[C@H](CO)CNC(=O)N=c1[n-]nc(OC)s1	ZINC000338481735	355357599	/nfs/dbraw/zinc/35/75/99/355357599.db2.gz	AXRSGLIELYYSMK-ZETCQYMHSA-N	-1	0	272.330	0.275	20	30		CCEDRM
N#Cc1ccc(NC(=O)NCc2n[nH]c(=O)[n-]2)cc1F	ZINC000353542331	356248010	/nfs/dbraw/zinc/24/80/10/356248010.db2.gz	WBWXZCWDBCRGNJ-UHFFFAOYSA-N	-1	0	276.231	0.843	20	30		CCEDRM
N#CC[C@@H](CC(=O)NCc1nnn[n-]1)c1ccccc1	ZINC000619435991	366252107	/nfs/dbraw/zinc/25/21/07/366252107.db2.gz	YZZCRJMKMMBIFC-NSHDSACASA-N	-1	0	270.296	0.903	20	30		CCEDRM
N#Cc1ccc(NCC(=O)NCCc2n[n-]c(=N)o2)cc1	ZINC000355021619	356552038	/nfs/dbraw/zinc/55/20/38/356552038.db2.gz	KGMQPKGOMSIBNV-UHFFFAOYSA-N	-1	0	286.295	0.125	20	30		CCEDRM
C=CCSCCNC(=O)N=c1ccc(C(=O)OC)n[n-]1	ZINC000619629452	366304877	/nfs/dbraw/zinc/30/48/77/366304877.db2.gz	JWQLRGMZAQVBRO-UHFFFAOYSA-N	-1	0	296.352	0.726	20	30		CCEDRM
CNC(=O)C1(C(=O)N=c2[nH][n-]c(C3CC3)c2C#N)CC1	ZINC000359715126	356877141	/nfs/dbraw/zinc/87/71/41/356877141.db2.gz	IYJNRXXWGHFFQH-UHFFFAOYSA-N	-1	0	273.296	0.045	20	30		CCEDRM
N#Cc1c(C2CC2)[n-][nH]c1=NC(=O)c1ccc[nH]c1=O	ZINC000359716864	356877350	/nfs/dbraw/zinc/87/73/50/356877350.db2.gz	LZRJEVMTNDQPMX-UHFFFAOYSA-N	-1	0	269.264	0.934	20	30		CCEDRM
N#Cc1c(C2CC2)[n-][nH]c1=NC(=O)c1ccc(C(N)=O)nc1	ZINC000359728557	356880117	/nfs/dbraw/zinc/88/01/17/356880117.db2.gz	XTSUPQRXDIOKTN-UHFFFAOYSA-N	-1	0	296.290	0.327	20	30		CCEDRM
N#Cc1ccc(C(=O)NCCCc2n[nH]c(=O)[n-]2)cn1	ZINC000359520381	356837445	/nfs/dbraw/zinc/83/74/45/356837445.db2.gz	DNTPLAAXWYAECP-UHFFFAOYSA-N	-1	0	272.268	0.140	20	30		CCEDRM
C[C@H](C(=O)NCc1n[nH]c(=O)[n-]1)c1cccc(C#N)c1	ZINC000360319135	356991440	/nfs/dbraw/zinc/99/14/40/356991440.db2.gz	WWPWSVFQJBWWSK-QMMMGPOBSA-N	-1	0	271.280	0.802	20	30		CCEDRM
CN(C)c1ccc(CNC(=O)N=c2[n-]n(C)cc2C#N)cn1	ZINC000610527856	363572365	/nfs/dbraw/zinc/57/23/65/363572365.db2.gz	SBOGIWZDBZQLTL-UHFFFAOYSA-N	-1	0	299.338	0.496	20	30		CCEDRM
CC(C)C[C@@H](CCO)CNC(=O)N=c1[n-]n(C)cc1C#N	ZINC000610562446	363576391	/nfs/dbraw/zinc/57/63/91/363576391.db2.gz	UGNKSTLALVRCGU-LLVKDONJSA-N	-1	0	293.371	0.880	20	30		CCEDRM
C=CCSCCNC(=O)N=c1[n-]n(C)cc1C#N	ZINC000610562535	363576438	/nfs/dbraw/zinc/57/64/38/363576438.db2.gz	XCHMNPINHPVLDN-UHFFFAOYSA-N	-1	0	265.342	0.754	20	30		CCEDRM
Cc1ccccc1[C@@H](CO)NC(=O)N=c1[n-]n(C)cc1C#N	ZINC000610564236	363579768	/nfs/dbraw/zinc/57/97/68/363579768.db2.gz	GOAOEVXZEUBIHO-CYBMUJFWSA-N	-1	0	299.334	0.877	20	30		CCEDRM
Cc1[n-][nH]c(=NC(=O)[C@H]2CCCc3nn(C)cc32)c1C#N	ZINC000377269261	357559944	/nfs/dbraw/zinc/55/99/44/357559944.db2.gz	DZZMEKQFISNOTN-VIFPVBQESA-N	-1	0	284.323	0.804	20	30		CCEDRM
N#Cc1c[n-][nH]c1=NC(=O)c1cnc2ccccc2n1	ZINC000610620680	363587415	/nfs/dbraw/zinc/58/74/15/363587415.db2.gz	ZNAOZNNQYDXLBQ-UHFFFAOYSA-N	-1	0	264.248	0.899	20	30		CCEDRM
Cn1cc(C#N)c(=NC(=O)N2C[C@@H]3CCC[C@H]3C2)[n-]1	ZINC000610698536	363599994	/nfs/dbraw/zinc/59/99/94/363599994.db2.gz	REPUDNIVGIGLHC-UWVGGRQHSA-N	-1	0	259.313	0.977	20	30		CCEDRM
CCn1cc(S(=O)(=O)[N-]c2ncc(C#N)s2)cn1	ZINC000610725235	363604643	/nfs/dbraw/zinc/60/46/43/363604643.db2.gz	PALJAUGTMIZNMS-UHFFFAOYSA-N	-1	0	283.338	0.454	20	30		CCEDRM
C[C@@H](CCC(=O)[O-])CNS(=O)(=O)N(C)[C@@H](C)CC#N	ZINC000563227177	358557042	/nfs/dbraw/zinc/55/70/42/358557042.db2.gz	TVEXMTXOCVCHNR-UWVGGRQHSA-N	-1	0	291.373	0.556	20	30		CCEDRM
CC[C@H](CCNS(=O)(=O)CCCC#N)C(=O)[O-]	ZINC000572339020	358928497	/nfs/dbraw/zinc/92/84/97/358928497.db2.gz	JPLVDVPAYZYYGQ-SECBINFHSA-N	-1	0	262.331	0.710	20	30		CCEDRM
C=CCN=c1[n-]nc(SCc2cn[nH]n2)s1	ZINC000574128831	359030133	/nfs/dbraw/zinc/03/01/33/359030133.db2.gz	NXXLONSSORRFEH-UHFFFAOYSA-N	-1	0	254.344	0.968	20	30		CCEDRM
Cn1cc(C#N)c(=NC(=O)N2CC[C@@H]([C@H]3CCOC3)C2)[n-]1	ZINC000611007140	363647964	/nfs/dbraw/zinc/64/79/64/363647964.db2.gz	MVGGKGAKIVIRAB-MNOVXSKESA-N	-1	0	289.339	0.604	20	30		CCEDRM
N#Cc1c(C2CC2)[n-][nH]c1=NC(=O)C1(C(=O)NC2CC2)CC1	ZINC000588767530	359336156	/nfs/dbraw/zinc/33/61/56/359336156.db2.gz	JAXPYNVRYVWQBJ-UHFFFAOYSA-N	-1	0	299.334	0.578	20	30		CCEDRM
Cn1cc([N-]S(=O)(=O)c2ccc(C#N)cc2F)nn1	ZINC000589652725	359395945	/nfs/dbraw/zinc/39/59/45/359395945.db2.gz	YGAWNLOARQAAMO-UHFFFAOYSA-N	-1	0	281.272	0.627	20	30		CCEDRM
C=CCC[C@@H](CO)NC(=O)NC[C@@H](C(=O)[O-])C(C)C	ZINC000655897226	412685790	/nfs/dbraw/zinc/68/57/90/412685790.db2.gz	UUXXPWQDLFLDSO-WDEREUQCSA-N	-1	0	272.345	0.970	20	30		CCEDRM
Cn1cc(C#N)c(=NC(=O)N[C@@H](C2CC2)C(C)(C)CO)[n-]1	ZINC000590957460	359542489	/nfs/dbraw/zinc/54/24/89/359542489.db2.gz	MEGNNUYQWCWPFL-NSHDSACASA-N	-1	0	291.355	0.632	20	30		CCEDRM
Cn1cnc(=NC(=O)N[C@H]2CCc3cc(C#N)ccc32)[n-]1	ZINC000590839323	359528995	/nfs/dbraw/zinc/52/89/95/359528995.db2.gz	ROOWNCQWYITRLF-LBPRGKRZSA-N	-1	0	282.307	0.918	20	30		CCEDRM
C=CCC[C@@H](CO)NC(=O)N=c1ccc(C(=O)OC)n[n-]1	ZINC000590834184	359529346	/nfs/dbraw/zinc/52/93/46/359529346.db2.gz	XOZBQNFTZZPTSX-VIFPVBQESA-N	-1	0	294.311	0.134	20	30		CCEDRM
CC#CC[C@H](NS(=O)(=O)c1cccc(N)c1)C(=O)[O-]	ZINC000274945449	192853951	/nfs/dbraw/zinc/85/39/51/192853951.db2.gz	FRLISINXKRJHGF-NSHDSACASA-N	-1	0	282.321	0.414	20	30		CCEDRM
C[C@@H](CN(C)C(=O)C(=O)N1CCC[C@@](C)(C#N)C1)C(=O)[O-]	ZINC000591568470	359599899	/nfs/dbraw/zinc/59/98/99/359599899.db2.gz	HJFSABILOCRHNJ-HZMBPMFUSA-N	-1	0	295.339	0.318	20	30		CCEDRM
CC(C)(CCNC(=O)C(=O)N1CC[C@](F)(C#N)C1)C(=O)[O-]	ZINC000591692088	359640979	/nfs/dbraw/zinc/64/09/79/359640979.db2.gz	TVDMCFKGHCSJOI-ZDUSSCGKSA-N	-1	0	299.302	0.068	20	30		CCEDRM
N#Cc1ccc(S(=O)(=O)[N-]C(=O)/C=C/C2CC2)cn1	ZINC000492662915	237257057	/nfs/dbraw/zinc/25/70/57/237257057.db2.gz	MPQFAXMZFHGZRC-ZZXKWVIFSA-N	-1	0	277.305	0.724	20	30		CCEDRM
N#C[C@H]1CC[C@@H](NC(=O)C(=O)N[C@H]2CC[C@@H](C(=O)[O-])C2)C1	ZINC000592214986	359801074	/nfs/dbraw/zinc/80/10/74/359801074.db2.gz	GVUAKEQQWKLTED-ZDCRXTMVSA-N	-1	0	293.323	0.164	20	30		CCEDRM
CCOC(=O)C[C@@H](C)CNC(=O)N=c1[n-]n(C)cc1C#N	ZINC000611169527	363668962	/nfs/dbraw/zinc/66/89/62/363668962.db2.gz	QVHDBLYCTOGOSC-SECBINFHSA-N	-1	0	293.327	0.424	20	30		CCEDRM
Cc1c(C#N)c(=NC(=O)c2ccnc(N(C)C)c2)[n-]n1C	ZINC000592647090	359908295	/nfs/dbraw/zinc/90/82/95/359908295.db2.gz	PLSYMSNSMVITSL-UHFFFAOYSA-N	-1	0	284.323	0.735	20	30		CCEDRM
Cc1c(C#N)c(=NC(=O)[C@H]2CCc3ncncc3C2)[n-]n1C	ZINC000592649311	359909276	/nfs/dbraw/zinc/90/92/76/359909276.db2.gz	BZLAOPROFWFDBS-JTQLQIEISA-N	-1	0	296.334	0.556	20	30		CCEDRM
N#CC1(CC(=O)N2CCC[C@H](c3n[nH]c(=O)[n-]3)C2)CC1	ZINC000592796964	359940251	/nfs/dbraw/zinc/94/02/51/359940251.db2.gz	SXYCLXGSIXKWMG-VIFPVBQESA-N	-1	0	275.312	0.910	20	30		CCEDRM
N#CC[C@@]1(O)CCN(C(=O)c2cc([N+](=O)[O-])ccc2[O-])C1	ZINC000592848462	359954539	/nfs/dbraw/zinc/95/45/39/359954539.db2.gz	XKPAESBRXXRSGI-CYBMUJFWSA-N	-1	0	291.263	0.791	20	30		CCEDRM
CC[C@H](C(=O)[O-])N(C)S(=O)(=O)N(CC)CCC#N	ZINC000593220730	360052477	/nfs/dbraw/zinc/05/24/77/360052477.db2.gz	UDFMVXGQYLIRLR-SECBINFHSA-N	-1	0	277.346	0.262	20	30		CCEDRM
C[C@H](C#N)CN(C)S(=O)(=O)N1CCC[C@@H]1CC(=O)[O-]	ZINC000593269900	360058574	/nfs/dbraw/zinc/05/85/74/360058574.db2.gz	SYHZXZJATPMTNX-NXEZZACHSA-N	-1	0	289.357	0.262	20	30		CCEDRM
N#Cc1sccc1S(=O)(=O)N1CC[C@H]1C(=O)[O-]	ZINC000593270611	360058786	/nfs/dbraw/zinc/05/87/86/360058786.db2.gz	OBVKVFZUNUVAFU-LURJTMIESA-N	-1	0	272.307	0.467	20	30		CCEDRM
C[C@@H](C(=O)[O-])C1(NS(=O)(=O)CC2(C#N)CC2)CC1	ZINC000593272843	360059607	/nfs/dbraw/zinc/05/96/07/360059607.db2.gz	CPUNKMIBQBOVRY-QMMMGPOBSA-N	-1	0	272.326	0.463	20	30		CCEDRM
C=CCCn1cc(C[S@](=O)[C@@H](C)C(=O)[O-])nn1	ZINC000593931872	360219596	/nfs/dbraw/zinc/21/95/96/360219596.db2.gz	NQIAJSMIQBHAGJ-QPFGOUBPSA-N	-1	0	257.315	0.576	20	30		CCEDRM
C[C@@H](CNS(=O)(=O)CC(C)(C)CC#N)C(=O)[O-]	ZINC000593945260	360221357	/nfs/dbraw/zinc/22/13/57/360221357.db2.gz	PLJCCGCLUOHQRF-QMMMGPOBSA-N	-1	0	262.331	0.566	20	30		CCEDRM
CC[C@@H](CSC)NC(=O)N=c1[n-]n(C)cc1C#N	ZINC000611388943	363712138	/nfs/dbraw/zinc/71/21/38/363712138.db2.gz	ZNIFGQFEWRYACV-VIFPVBQESA-N	-1	0	267.358	0.977	20	30		CCEDRM
N#CCCCCS(=O)(=O)N[C@@H](CCF)C(=O)[O-]	ZINC000594573612	360332754	/nfs/dbraw/zinc/33/27/54/360332754.db2.gz	OPMUUMSSPRUKQA-QMMMGPOBSA-N	-1	0	266.294	0.412	20	30		CCEDRM
Cc1cccc(NC(=O)C(=O)NC[C@@H](C)C(=O)[O-])c1C#N	ZINC000594528519	360326074	/nfs/dbraw/zinc/32/60/74/360326074.db2.gz	UHZSUENNSJUKPB-SECBINFHSA-N	-1	0	289.291	0.642	20	30		CCEDRM
CC#CC[C@H](NS(=O)(=O)CC1CCCC1)C(=O)[O-]	ZINC000275040066	192888188	/nfs/dbraw/zinc/88/81/88/192888188.db2.gz	QYULCQYQZIGWQQ-NSHDSACASA-N	-1	0	273.354	0.963	20	30		CCEDRM
CO[C@H](CS(=O)(=O)N[C@H](C#N)C(C)C)[C@@H]1CCOC1	ZINC000594723929	360368592	/nfs/dbraw/zinc/36/85/92/360368592.db2.gz	REISTGDAPZDRQH-IJLUTSLNSA-N	-1	0	290.385	0.505	20	30		CCEDRM
N#Cc1ncccc1N1C[C@@H]2COC[C@]2(C(=O)[O-])C1	ZINC000595971293	360745170	/nfs/dbraw/zinc/74/51/70/360745170.db2.gz	DBFNDRYYPIMCHY-NOZJJQNGSA-N	-1	0	259.265	0.491	20	30		CCEDRM
N#Cc1cnc(N[C@@H]2C[C@H](C(=O)[O-])C[C@H]2O)c(F)c1	ZINC000595978087	360753643	/nfs/dbraw/zinc/75/36/43/360753643.db2.gz	KCWDWPCZBPHMMV-FXBDTBDDSA-N	-1	0	265.244	0.728	20	30		CCEDRM
Cc1cc(=NC(=O)c2cc(=O)n(C)[n-]2)[nH]n1CCC#N	ZINC000597459904	361103281	/nfs/dbraw/zinc/10/32/81/361103281.db2.gz	JCIVTTKCSPMNJH-UHFFFAOYSA-N	-1	0	274.284	0.219	20	30		CCEDRM
C=CCCSCCNC(=O)c1n[nH]c(=O)[n-]c1=O	ZINC000597968950	361295558	/nfs/dbraw/zinc/29/55/58/361295558.db2.gz	ROIGWRQZIKXXGM-UHFFFAOYSA-N	-1	0	270.314	0.322	20	30		CCEDRM
C[C@H](C#N)N(C(=O)CSc1n[nH]c(=O)[n-]1)C1CC1	ZINC000598137918	361341890	/nfs/dbraw/zinc/34/18/90/361341890.db2.gz	PGEQDNRHNQAIIU-ZCFIWIBFSA-N	-1	0	267.314	0.505	20	30		CCEDRM
CN=c1[n-]nc(CC(=O)N2CC[C@@](C)(C#N)C2)s1	ZINC000598418847	361409526	/nfs/dbraw/zinc/40/95/26/361409526.db2.gz	YOPYFFNLDXLVDS-NSHDSACASA-N	-1	0	265.342	0.306	20	30		CCEDRM
CO[C@H]1CC[C@@H](C(=O)Nc2nc(C#N)c(C#N)[n-]2)C1	ZINC000598662131	361474546	/nfs/dbraw/zinc/47/45/46/361474546.db2.gz	PSZBSNPULDXKBY-SFYZADRCSA-N	-1	0	259.269	0.907	20	30		CCEDRM
CC(=O)N[C@H](CCC(C)C)C(=O)N=c1[nH][n-]c(C)c1C#N	ZINC000598702523	361491298	/nfs/dbraw/zinc/49/12/98/361491298.db2.gz	ZRNDJVQJCKQOQF-GFCCVEGCSA-N	-1	0	291.355	0.891	20	30		CCEDRM
CCC[C@@H](C#N)NC(=O)c1ccc([N-]S(C)(=O)=O)nc1	ZINC000599234012	361617833	/nfs/dbraw/zinc/61/78/33/361617833.db2.gz	DJVMXDDLUFMJMS-JTQLQIEISA-N	-1	0	296.352	0.875	20	30		CCEDRM
CN(CCNS(=O)(=O)c1ccc(C#N)o1)CC(F)F	ZINC000599519879	361726172	/nfs/dbraw/zinc/72/61/72/361726172.db2.gz	WHQCQNIVQRGMFK-UHFFFAOYSA-N	-1	0	293.295	0.626	20	30		CCEDRM
C=CCN(C(=O)c1cc(S(N)(=O)=O)ccc1[O-])C1CC1	ZINC000613238858	364175528	/nfs/dbraw/zinc/17/55/28/364175528.db2.gz	FHSOEBISCUPIHE-UHFFFAOYSA-N	-1	0	296.348	0.830	20	30		CCEDRM
C=C(C)CN(CC)C(=O)C(=O)NC[C@H](C(=O)[O-])C(C)C	ZINC000656014861	412733139	/nfs/dbraw/zinc/73/31/39/412733139.db2.gz	WXURLPRHKXVSIT-NSHDSACASA-N	-1	0	284.356	0.884	20	30		CCEDRM
N#Cc1cncnc1N1CCC[C@H](c2n[nH]c(=O)[n-]2)C1	ZINC000564890057	291311029	/nfs/dbraw/zinc/31/10/29/291311029.db2.gz	MSOACVPWZDZSGY-QMMMGPOBSA-N	-1	0	271.284	0.556	20	30		CCEDRM
C=C(C)[C@H]1OCC[C@@H]1CNC(=O)c1cc(=O)n(C)[n-]1	ZINC000614373943	364587870	/nfs/dbraw/zinc/58/78/70/364587870.db2.gz	WIRCQTPKTBXUNK-BXKDBHETSA-N	-1	0	265.313	0.837	20	30		CCEDRM
CC[C@]1(CO)CCCN(C(=O)N=c2[n-]n(C)cc2C#N)C1	ZINC000614688608	364698460	/nfs/dbraw/zinc/69/84/60/364698460.db2.gz	UFIRIRIEZYHMTJ-AWEZNQCLSA-N	-1	0	291.355	0.730	20	30		CCEDRM
CO[C@H]1CN(C(=O)N=c2[n-]n(C)cc2C#N)CC[C@H]1C	ZINC000615253050	364896236	/nfs/dbraw/zinc/89/62/36/364896236.db2.gz	GOMORELRLOOLDZ-KOLCDFICSA-N	-1	0	277.328	0.602	20	30		CCEDRM
C=CCN(CC(=O)[O-])S(=O)(=O)N(C)CCC	ZINC000275382491	193017224	/nfs/dbraw/zinc/01/72/24/193017224.db2.gz	XRZOZKITJUIOPK-UHFFFAOYSA-N	-1	0	250.320	0.146	20	30		CCEDRM
COc1n[n-]c(=NC(=O)c2cc(C#N)cn2C)s1	ZINC000616030182	365160624	/nfs/dbraw/zinc/16/06/24/365160624.db2.gz	WQVXYGQNIFZOLX-UHFFFAOYSA-N	-1	0	263.282	0.431	20	30		CCEDRM
C=C(CC)CNC(=O)c1cc(S(N)(=O)=O)ccc1[O-]	ZINC000616114737	365181601	/nfs/dbraw/zinc/18/16/01/365181601.db2.gz	CXBWQWSOOHVUSP-UHFFFAOYSA-N	-1	0	284.337	0.736	20	30		CCEDRM
Cc1cccc([N-]S(=O)(=O)c2cnnn2C)c1C#N	ZINC000616169953	365201388	/nfs/dbraw/zinc/20/13/88/365201388.db2.gz	QGYCDGRRGKJREF-UHFFFAOYSA-N	-1	0	277.309	0.796	20	30		CCEDRM
Cc1ccc(C#N)cc1S(=O)(=O)[N-]N1CCCNC1=O	ZINC000275853337	193147502	/nfs/dbraw/zinc/14/75/02/193147502.db2.gz	HJRSHOMNISAAAA-UHFFFAOYSA-N	-1	0	294.336	0.475	20	30		CCEDRM
C=CC[C@H]1CCN(C(=O)C(=O)NCC2(C(=O)[O-])CCC2)C1	ZINC000627280600	368943040	/nfs/dbraw/zinc/94/30/40/368943040.db2.gz	KWJOFAORYXBAHJ-NSHDSACASA-N	-1	0	294.351	0.782	20	30		CCEDRM
C=CC[C@@H]1CC[N@@H+]([C@H]2CCN(CC(=O)[O-])C2=O)C1	ZINC000629500104	369684383	/nfs/dbraw/zinc/68/43/83/369684383.db2.gz	VRYTXRGKMIHOPG-MNOVXSKESA-N	-1	0	252.314	0.570	20	30		CCEDRM
C=CC[C@@H]1CCN(C(=O)C(=O)N2CC[C@@H](C(=O)[O-])C2)C1	ZINC000629778514	369773844	/nfs/dbraw/zinc/77/38/44/369773844.db2.gz	BKCVLYNYXMBFGB-GHMZBOCLSA-N	-1	0	280.324	0.344	20	30		CCEDRM
C=CCN(C(=O)C(=O)N1CC[C@@H](C(=O)[O-])[C@@H](C)C1)C1CC1	ZINC000629776948	369773856	/nfs/dbraw/zinc/77/38/56/369773856.db2.gz	ZPLUORXAOAIWEA-CMPLNLGQSA-N	-1	0	294.351	0.733	20	30		CCEDRM
C=CCOC[C@@H](NC(=O)Cc1c(C)noc1C)C(=O)[O-]	ZINC000630186778	369995796	/nfs/dbraw/zinc/99/57/96/369995796.db2.gz	YBQDSUWBLQSALY-LLVKDONJSA-N	-1	0	282.296	0.606	20	30		CCEDRM
C=C(C)C[C@H](NC(=O)Cc1nnn(C(C)(C)C)n1)C(=O)[O-]	ZINC000630322840	370047075	/nfs/dbraw/zinc/04/70/75/370047075.db2.gz	WQUXLYBBRFJIAG-VIFPVBQESA-N	-1	0	295.343	0.506	20	30		CCEDRM
C=C(C)[C@@H]1OCC[C@H]1CNC(=O)c1cc(C(=O)[O-])nn1C	ZINC000630303156	370037305	/nfs/dbraw/zinc/03/73/05/370037305.db2.gz	QMMUTOWVMXYDGV-CABZTGNLSA-N	-1	0	293.323	0.829	20	30		CCEDRM
C=C[C@H]1CCCCN1C(=O)Cn1cc(C(=O)[O-])nn1	ZINC000630302598	370037599	/nfs/dbraw/zinc/03/75/99/370037599.db2.gz	YMIVSYSPQZOEHJ-VIFPVBQESA-N	-1	0	264.285	0.543	20	30		CCEDRM
C=CCC[C@H](NC(=O)Cn1ccccc1=O)C(=O)[O-]	ZINC000630181370	369994334	/nfs/dbraw/zinc/99/43/34/369994334.db2.gz	INIPPYMPSSXKAC-JTQLQIEISA-N	-1	0	264.281	0.384	20	30		CCEDRM
C=C(C)C[C@H](NS(=O)(=O)C[C@H]1CCOC1)C(=O)[O-]	ZINC000630437721	370115719	/nfs/dbraw/zinc/11/57/19/370115719.db2.gz	HNWOKVJJAYMEJR-UWVGGRQHSA-N	-1	0	277.342	0.362	20	30		CCEDRM
C=C(C)C[C@H](NS(=O)(=O)N1CC[C@@H](C)C1)C(=O)[O-]	ZINC000630438682	370117430	/nfs/dbraw/zinc/11/74/30/370117430.db2.gz	WKUCSPSOMWRJEG-ZJUUUORDSA-N	-1	0	276.358	0.582	20	30		CCEDRM
C=CCn1c(-c2nnn(C)c2C)n[n-]c1=Nc1cnn(C)c1	ZINC000634341301	372018266	/nfs/dbraw/zinc/01/82/66/372018266.db2.gz	RYQDHIICKDIXPV-UHFFFAOYSA-N	-1	0	299.342	0.467	20	30		CCEDRM
C=CCCS(=O)(=O)N1C[C@@H](C)[C@](C)(C(=O)[O-])C1	ZINC000634654187	372126526	/nfs/dbraw/zinc/12/65/26/372126526.db2.gz	ZTJAQSZMDGAALC-MWLCHTKSSA-N	-1	0	261.343	0.935	20	30		CCEDRM
C=C(C)COCCNC(=O)C[C@@]1(C(=O)[O-])CCOC1	ZINC000634909737	372290391	/nfs/dbraw/zinc/29/03/91/372290391.db2.gz	MAPWAARPTGFOGK-ZDUSSCGKSA-N	-1	0	271.313	0.577	20	30		CCEDRM
C=CCCn1cc(CN[C@@](C)(COC)C(=O)[O-])nn1	ZINC000656566841	412829301	/nfs/dbraw/zinc/82/93/01/412829301.db2.gz	XBIHUWLFTXUGRZ-LBPRGKRZSA-N	-1	0	268.317	0.434	20	30		CCEDRM
C=C(C)COCCNC(=O)N[C@@]1(C(=O)[O-])CCSC1	ZINC000574628368	335034800	/nfs/dbraw/zinc/03/48/00/335034800.db2.gz	NEPZTFLBKVCMMP-LBPRGKRZSA-N	-1	0	288.369	0.839	20	30		CCEDRM
C=CCOCCCNS(=O)(=O)c1c[nH]c(C(=O)[O-])c1	ZINC000656722520	412847200	/nfs/dbraw/zinc/84/72/00/412847200.db2.gz	DBISFYFRKVWMHR-UHFFFAOYSA-N	-1	0	288.325	0.584	20	30		CCEDRM
C[C@@H]1CN(C(=O)N=c2[n-]n(C)cc2C#N)C[C@@H](C)C1=O	ZINC000639772682	376004517	/nfs/dbraw/zinc/00/45/17/376004517.db2.gz	LMTBASSCEOXKNZ-RKDXNWHRSA-N	-1	0	275.312	0.402	20	30		CCEDRM
C=C(C)CS(=O)(=O)NCc1ccoc1C(=O)[O-]	ZINC000656725897	412848360	/nfs/dbraw/zinc/84/83/60/412848360.db2.gz	SWCDTPMXKHWGKJ-UHFFFAOYSA-N	-1	0	259.283	0.973	20	30		CCEDRM
COc1ccc(=NC(=O)N[C@@H]2CCCOC2)[n-]n1	ZINC000329074867	295064038	/nfs/dbraw/zinc/06/40/38/295064038.db2.gz	BOLZLHVUPOCANH-MRVPVSSYSA-N	-1	0	252.274	0.412	20	30		CCEDRM
CC[C@H]1CCCCN1C(=O)Cn1c(=O)[n-]cc(C#N)c1=O	ZINC000517565403	249223595	/nfs/dbraw/zinc/22/35/95/249223595.db2.gz	BOKCJXOVNZSGIT-NSHDSACASA-N	-1	0	290.323	0.199	20	30		CCEDRM
C#CCO[N-]C(=O)[C@@H]1CSCN1C(=O)CCCC	ZINC000291164391	388918319	/nfs/dbraw/zinc/91/83/19/388918319.db2.gz	CUXABGWGSAUURT-JTQLQIEISA-N	-1	0	270.354	0.759	20	30		CCEDRM
CO[C@H](C)c1nc(=NC(=O)CSCC#N)s[n-]1	ZINC000338015687	389072750	/nfs/dbraw/zinc/07/27/50/389072750.db2.gz	FGIKSPGCVPMFQQ-ZCFIWIBFSA-N	-1	0	272.355	0.863	20	30		CCEDRM
C=CC[C@@H](CO)NC(=O)c1ccc(-c2nc(=O)o[n-]2)cc1	ZINC000337047542	389038875	/nfs/dbraw/zinc/03/88/75/389038875.db2.gz	HBSCZTVCCKDBCK-NSHDSACASA-N	-1	0	289.291	0.697	20	30		CCEDRM
N#Cc1c(Cl)cccc1S(=O)(=O)NCC(=O)[O-]	ZINC000340453708	389159465	/nfs/dbraw/zinc/15/94/65/389159465.db2.gz	GXERRKZBLHUQJI-UHFFFAOYSA-N	-1	0	274.685	0.575	20	30		CCEDRM
N#Cc1c([N+](=O)[O-])cccc1S(=O)(=O)NCCC(=O)[O-]	ZINC000340457474	389160159	/nfs/dbraw/zinc/16/01/59/389160159.db2.gz	XEBCDPLSROZNTJ-UHFFFAOYSA-N	-1	0	299.264	0.219	20	30		CCEDRM
Cc1ncc(CNS(=O)(=O)CC2(C#N)CC2)c(=O)[nH]1	ZINC000361809463	389224916	/nfs/dbraw/zinc/22/49/16/389224916.db2.gz	OQRYXAXWEWKJIZ-UHFFFAOYSA-N	-1	0	282.325	0.214	20	30		CCEDRM
COC(=O)N(C)CCCC(=O)Nc1nc(C#N)c(C#N)[n-]1	ZINC000264232129	389314235	/nfs/dbraw/zinc/31/42/35/389314235.db2.gz	MRNXUNALQQKNEL-UHFFFAOYSA-N	-1	0	290.283	0.570	20	30		CCEDRM
C[C@H]1CCCN(S(=O)(=O)CC2(C#N)CC2)[C@@H]1C(=O)[O-]	ZINC000331901736	389315429	/nfs/dbraw/zinc/31/54/29/389315429.db2.gz	BZLIWPPJEBLGMJ-UWVGGRQHSA-N	-1	0	286.353	0.805	20	30		CCEDRM
N#CCN(C(=O)c1c[nH]c2nc(=O)[n-]c(=O)c-2c1)C1CC1	ZINC000344434600	389281482	/nfs/dbraw/zinc/28/14/82/389281482.db2.gz	ZUJVIXSPJUYQKO-UHFFFAOYSA-N	-1	0	285.263	0.564	20	30		CCEDRM
C[C@H]1C[C@H](C(=O)Nc2nc(C#N)c(C#N)[n-]2)CCO1	ZINC000345274748	389296832	/nfs/dbraw/zinc/29/68/32/389296832.db2.gz	VPKMWJSZHBESPA-JGVFFNPUSA-N	-1	0	259.269	0.907	20	30		CCEDRM
C=CC[C@H](NS(=O)(=O)c1c(C)nn(C)c1C)C(=O)[O-]	ZINC000161287487	389405377	/nfs/dbraw/zinc/40/53/77/389405377.db2.gz	XTZZTZGMMKOJDP-VIFPVBQESA-N	-1	0	287.341	0.345	20	30		CCEDRM
N#Cc1cncc(S(=O)(=O)[N-]C(=O)C2CCC2)c1	ZINC000408485655	389366474	/nfs/dbraw/zinc/36/64/74/389366474.db2.gz	HKIPRMAXLQNVAZ-UHFFFAOYSA-N	-1	0	265.294	0.558	20	30		CCEDRM
N#C[C@H]1CN(C(=O)c2ccc([O-])c([N+](=O)[O-])c2)CCO1	ZINC000164552811	389435056	/nfs/dbraw/zinc/43/50/56/389435056.db2.gz	HKCJOCDBOGUINB-VIFPVBQESA-N	-1	0	277.236	0.665	20	30		CCEDRM
CC[C@](NS(=O)(=O)CC1(C#N)CC1)(C(N)=O)C(C)C	ZINC000166415072	389441100	/nfs/dbraw/zinc/44/11/00/389441100.db2.gz	RBKQNIGWMBFIFY-GFCCVEGCSA-N	-1	0	287.385	0.500	20	30		CCEDRM
C=CCOCCCC(=O)N[C@@H](CCOC)C(=O)[O-]	ZINC000281747951	389623637	/nfs/dbraw/zinc/62/36/37/389623637.db2.gz	VNJIVKCXBMVLDX-JTQLQIEISA-N	-1	0	259.302	0.575	20	30		CCEDRM
CC[C@H](C#N)S(=O)(=O)[N-]c1ccc(F)cc1C(N)=O	ZINC000416944468	389782937	/nfs/dbraw/zinc/78/29/37/389782937.db2.gz	VIHANEPRFRDURB-MRVPVSSYSA-N	-1	0	285.300	0.968	20	30		CCEDRM
C=CCCO[C@@H](C)C(=O)N(C)C[C@@H](C)c1nnn[n-]1	ZINC000352472556	389816119	/nfs/dbraw/zinc/81/61/19/389816119.db2.gz	GVMWIVUIQXMPEN-ZJUUUORDSA-N	-1	0	267.333	0.743	20	30		CCEDRM
N#Cc1ccc(C(=O)NC2(c3nnn[n-]3)CCCC2)cc1O	ZINC000442666759	389854593	/nfs/dbraw/zinc/85/45/93/389854593.db2.gz	SPEFLZRNLRAABC-UHFFFAOYSA-N	-1	0	298.306	0.976	20	30		CCEDRM
Cc1[n-][nH]c(=NC(=O)c2ccc3c(c2)NC(=O)CO3)c1C#N	ZINC000431455424	389860071	/nfs/dbraw/zinc/86/00/71/389860071.db2.gz	HZUCFKSHIJQYGM-UHFFFAOYSA-N	-1	0	297.274	0.595	20	30		CCEDRM
C=CCS(=O)(=O)[N-]C(=O)/C=C/c1cncc(OC)c1	ZINC000492410161	390118096	/nfs/dbraw/zinc/11/80/96/390118096.db2.gz	WGKFLUIAESVACG-SNAWJCMRSA-N	-1	0	282.321	0.735	20	30		CCEDRM
C#CCCS(=O)(=O)[N-]C(=O)/C=C/c1ccc(C)nc1	ZINC000493120698	390118991	/nfs/dbraw/zinc/11/89/91/390118991.db2.gz	JDZTUWARVPRCCB-BQYQJAHWSA-N	-1	0	278.333	0.873	20	30		CCEDRM
C#CCCS(=O)(=O)[N-]C(=O)/C=C\c1cnc(C)s1	ZINC000493313359	390123113	/nfs/dbraw/zinc/12/31/13/390123113.db2.gz	AUUVERJUASCZRK-WAYWQWQTSA-N	-1	0	284.362	0.934	20	30		CCEDRM
C=C(C)CS(=O)(=O)N[C@@H](C(=O)[O-])[C@H](O)CCC	ZINC000578993240	390132090	/nfs/dbraw/zinc/13/20/90/390132090.db2.gz	UHIQSFUQKYKQNK-RKDXNWHRSA-N	-1	0	265.331	0.096	20	30		CCEDRM
Cc1c(C#N)c(=NC(=O)[C@@H]2CCC(=O)C[C@@H]2C)[n-]n1C	ZINC000648434303	390372259	/nfs/dbraw/zinc/37/22/59/390372259.db2.gz	FXDNXTGYZBLZRN-GZMMTYOYSA-N	-1	0	274.324	0.966	20	30		CCEDRM
C=C(C)CO[N-]C(=O)CNC(=O)OCC(F)(F)F	ZINC000496937744	390388879	/nfs/dbraw/zinc/38/88/79/390388879.db2.gz	LUNRHGQZKMRWAA-UHFFFAOYSA-N	-1	0	270.207	0.899	20	30		CCEDRM
C=CCC[C@@H](NS(=O)(=O)c1cncn1CC)C(=O)[O-]	ZINC000562321233	390488260	/nfs/dbraw/zinc/48/82/60/390488260.db2.gz	YSABORZEICLYGQ-SECBINFHSA-N	-1	0	287.341	0.601	20	30		CCEDRM
C=CCN(CC(=O)[O-])S(=O)(=O)[C@@H]1CCO[C@H]1C	ZINC000518764959	390493703	/nfs/dbraw/zinc/49/37/03/390493703.db2.gz	DWFDRIFZXGTAGF-DTWKUNHWSA-N	-1	0	263.315	0.066	20	30		CCEDRM
C=CCC[C@H](NS(=O)(=O)[C@H]1CCO[C@H]1C)C(=O)[O-]	ZINC000646044639	390583106	/nfs/dbraw/zinc/58/31/06/390583106.db2.gz	NGKPBSJACDZWGG-GUBZILKMSA-N	-1	0	277.342	0.503	20	30		CCEDRM
C=CCn1cc(CN=c2[n-]nc(C(F)F)o2)nn1	ZINC000520800413	390589738	/nfs/dbraw/zinc/58/97/38/390589738.db2.gz	RKESJPYSBNYQIK-UHFFFAOYSA-N	-1	0	256.216	0.819	20	30		CCEDRM
C=CCN=c1[n-]nc(S[C@@H]2CON(CC)C2=O)s1	ZINC000565942654	390560429	/nfs/dbraw/zinc/56/04/29/390560429.db2.gz	YKRLHPLWSRPYEC-SSDOTTSWSA-N	-1	0	286.382	0.812	20	30		CCEDRM
C=CCOC[C@H](NC(=O)C1(CF)CCC1)C(=O)[O-]	ZINC000566070819	390574336	/nfs/dbraw/zinc/57/43/36/390574336.db2.gz	QUPFHUQVHIQJTH-VIFPVBQESA-N	-1	0	259.277	0.898	20	30		CCEDRM
C=CCOCCNC(=O)N1CC[C@H](C)[C@H](C(=O)[O-])C1	ZINC000646154743	390620151	/nfs/dbraw/zinc/62/01/51/390620151.db2.gz	CRLQTZARADEZIF-WDEREUQCSA-N	-1	0	270.329	0.941	20	30		CCEDRM
C=C[C@@H]1OCC[C@H]1NC(=O)N[C@H]1CC[C@@H](C(=O)[O-])C1	ZINC000646160472	390621045	/nfs/dbraw/zinc/62/10/45/390621045.db2.gz	PYJUNCBELLULRG-YTWAJWBKSA-N	-1	0	268.313	0.882	20	30		CCEDRM
C=CC[C@@H](CO)NC(=O)NCC1(C(=O)[O-])CCOCC1	ZINC000646167741	390622363	/nfs/dbraw/zinc/62/23/63/390622363.db2.gz	ACASHEPSPOCPBD-JTQLQIEISA-N	-1	0	286.328	0.104	20	30		CCEDRM
C=CCCCS(=O)(=O)N1CCC[C@]1(COC)C(=O)[O-]	ZINC000643971476	390611890	/nfs/dbraw/zinc/61/18/90/390611890.db2.gz	UFBARWCRRWTIEG-LBPRGKRZSA-N	-1	0	291.369	0.848	20	30		CCEDRM
C=CCN(CC(=O)[O-])S(=O)(=O)N(CC)C[C@H](C)C#N	ZINC000569728089	390716562	/nfs/dbraw/zinc/71/65/62/390716562.db2.gz	UFIGDJFTMHAWTR-SNVBAGLBSA-N	-1	0	289.357	0.285	20	30		CCEDRM
C[C@@H](C#N)CN(C)S(=O)(=O)NCCCCCC(=O)[O-]	ZINC000570805814	390719134	/nfs/dbraw/zinc/71/91/34/390719134.db2.gz	NYAZTSHEOMCVGH-JTQLQIEISA-N	-1	0	291.373	0.557	20	30		CCEDRM
N#Cc1ccc(S(=O)(=O)[N-]CC(F)(F)CN)o1	ZINC000572424234	390783299	/nfs/dbraw/zinc/78/32/99/390783299.db2.gz	AGAYXAMUWHNUOO-UHFFFAOYSA-N	-1	0	265.241	0.024	20	30		CCEDRM
CCC(C#N)(CC)C(=O)[N-]S(=O)(=O)c1cn(C)nc1C	ZINC000529018755	390787472	/nfs/dbraw/zinc/78/74/72/390787472.db2.gz	QFAVEFMMGCNWIF-UHFFFAOYSA-N	-1	0	298.368	0.863	20	30		CCEDRM
COc1ccc(=NC(=O)N[C@@H]2CCO[C@H]2C2CC2)[n-]n1	ZINC000329107040	533252501	/nfs/dbraw/zinc/25/25/01/533252501.db2.gz	FFADIJWARMXDDQ-SKDRFNHKSA-N	-1	0	278.312	0.801	20	30		CCEDRM
C[C@@H](C#N)CN(C)S(=O)(=O)N[C@H](C(=O)[O-])C1CCC1	ZINC000578657494	390897113	/nfs/dbraw/zinc/89/71/13/390897113.db2.gz	NVPFTMDCAMDZNA-WPRPVWTQSA-N	-1	0	289.357	0.166	20	30		CCEDRM
N#Cc1cncc(N2CCC(c3n[nH]c(=O)[n-]3)CC2)n1	ZINC000578863203	390904971	/nfs/dbraw/zinc/90/49/71/390904971.db2.gz	ICIVYNSLMJMFSR-UHFFFAOYSA-N	-1	0	271.284	0.556	20	30		CCEDRM
C[C@H](CC#N)N(C)S(=O)(=O)NCCCCC(=O)[O-]	ZINC000578873462	390905335	/nfs/dbraw/zinc/90/53/35/390905335.db2.gz	UZERVORHJLJRIG-SECBINFHSA-N	-1	0	277.346	0.310	20	30		CCEDRM
CC(C)N([C@H](C)C(=O)[O-])S(=O)(=O)N(C)[C@@H](C)CC#N	ZINC000578898268	390906967	/nfs/dbraw/zinc/90/69/67/390906967.db2.gz	SNXQCVXTGZJKEV-VHSXEESVSA-N	-1	0	291.373	0.649	20	30		CCEDRM
N#Cc1cncc(S(=O)(=O)N2CCC[C@@H]2C(=O)[O-])c1	ZINC000261645570	131159009	/nfs/dbraw/zinc/15/90/09/131159009.db2.gz	XNNMQWHPTVCVPX-SNVBAGLBSA-N	-1	0	281.293	0.191	20	30		CCEDRM
CC(C)C[C@@H](NS(=O)(=O)c1cncc(C#N)c1)C(=O)[O-]	ZINC000261854217	131173590	/nfs/dbraw/zinc/17/35/90/131173590.db2.gz	WZYIWXHIZKMUBM-LLVKDONJSA-N	-1	0	297.336	0.731	20	30		CCEDRM
C=CCCO[C@@H](C)C(=O)N[C@]1(C(=O)[O-])CCOC1	ZINC000262197091	131199826	/nfs/dbraw/zinc/19/98/26/131199826.db2.gz	ZMGHJBQQGFRBIC-JOYOIKCWSA-N	-1	0	257.286	0.328	20	30		CCEDRM
C=CCCO[C@@H](C)C(=O)N1CC[C@@](COC)(C(=O)[O-])C1	ZINC000263019295	131279004	/nfs/dbraw/zinc/27/90/04/131279004.db2.gz	NSZSETPFVFDCNL-SMDDNHRTSA-N	-1	0	285.340	0.917	20	30		CCEDRM
C=C[C@H](CCC(=O)[O-])NS(=O)(=O)[C@H]1CCO[C@H]1C	ZINC000650421391	397718078	/nfs/dbraw/zinc/71/80/78/397718078.db2.gz	BAGQMXMJHMQICY-AEJSXWLSSA-N	-1	0	277.342	0.503	20	30		CCEDRM
C=CCCS(=O)(=O)NC[C@H](CC1CC1)C(=O)[O-]	ZINC000650430912	397718982	/nfs/dbraw/zinc/71/89/82/397718982.db2.gz	BBEWOJWIWJHINZ-JTQLQIEISA-N	-1	0	261.343	0.983	20	30		CCEDRM
C=C(C)C(C)(C)C(=O)N=c1ccc(C(=O)NC)n[n-]1	ZINC000650819143	397768925	/nfs/dbraw/zinc/76/89/25/397768925.db2.gz	JJNFRYRAFVVUIE-UHFFFAOYSA-N	-1	0	262.313	0.799	20	30		CCEDRM
C=CCN=c1[n-]nc(SCC(=O)c2cn(C)nn2)s1	ZINC000651177022	397847233	/nfs/dbraw/zinc/84/72/33/397847233.db2.gz	GLXBVURMVKAGRU-UHFFFAOYSA-N	-1	0	296.381	0.661	20	30		CCEDRM
Cc1cc(C#N)cnc1C(=O)N1CCC[C@@H](c2nnn[n-]2)C1	ZINC000551903385	286134220	/nfs/dbraw/zinc/13/42/20/286134220.db2.gz	QRBLLRDJHDBAAO-LLVKDONJSA-N	-1	0	297.322	0.795	20	30		CCEDRM
C=CCN(C(=O)[C@@H]1CC[C@@H](C(=O)[O-])O1)[C@@H](C)COC	ZINC000659192703	413336131	/nfs/dbraw/zinc/33/61/31/413336131.db2.gz	OMMHRGUPZNDXMT-DCAQKATOSA-N	-1	0	271.313	0.668	20	30		CCEDRM
C=CCOCCCNC(=O)C1(C(=O)[O-])CCOCC1	ZINC000659190702	413336356	/nfs/dbraw/zinc/33/63/56/413336356.db2.gz	BYKUJIWHUZBWKG-UHFFFAOYSA-N	-1	0	271.313	0.577	20	30		CCEDRM
C=CCn1cc(C(=O)N[C@H]2C[C@H](C(=O)[O-])C2)nn1	ZINC000659241117	413351224	/nfs/dbraw/zinc/35/12/24/413351224.db2.gz	LPRNUVLSALDBRB-ZKCHVHJHSA-N	-1	0	250.258	0.057	20	30		CCEDRM
C=C(C)CNC(=O)NCC1(C(=O)[O-])CCOCC1	ZINC000122869256	411708919	/nfs/dbraw/zinc/70/89/19/411708919.db2.gz	PFKJGJPIDBGWNQ-UHFFFAOYSA-N	-1	0	256.302	0.743	20	30		CCEDRM
CC(C)[C@H](NS(=O)(=O)c1ccccc1C#N)C(=O)[O-]	ZINC000020012709	170969015	/nfs/dbraw/zinc/96/90/15/170969015.db2.gz	NIPVUJBJTUKPAB-NSHDSACASA-N	-1	0	282.321	0.946	20	30		CCEDRM
CC(C)[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)[O-]	ZINC000020565877	171254397	/nfs/dbraw/zinc/25/43/97/171254397.db2.gz	CFLDCNYEHXVHTP-LLVKDONJSA-N	-1	0	282.321	0.946	20	30		CCEDRM
N#CCCNS(=O)(=O)c1ccc(F)c(C(=O)[O-])c1	ZINC000021948772	171338772	/nfs/dbraw/zinc/33/87/72/171338772.db2.gz	FQUNINYXEIDDRO-UHFFFAOYSA-N	-1	0	272.257	0.716	20	30		CCEDRM
CCN(CC(=O)[O-])C(=O)COc1ccccc1C#N	ZINC000038016390	173990310	/nfs/dbraw/zinc/99/03/10/173990310.db2.gz	BNWXAEKLMSOHRT-UHFFFAOYSA-N	-1	0	262.265	0.870	20	30		CCEDRM
C=CCOCC(=O)Nc1cnn(C(C)(C)C(=O)[O-])c1	ZINC000663127255	414998782	/nfs/dbraw/zinc/99/87/82/414998782.db2.gz	IJMIZOLFYREALT-UHFFFAOYSA-N	-1	0	267.285	0.844	20	30		CCEDRM
C=CCOCCNC(=O)NC[C@@H](C(=O)[O-])C1CCC1	ZINC000665308972	415593762	/nfs/dbraw/zinc/59/37/62/415593762.db2.gz	JEHXHZMMPCDVLU-LLVKDONJSA-N	-1	0	270.329	0.989	20	30		CCEDRM
O=C(N=c1cn[n-]s1)NCC1(CO)CCOCC1	ZINC000330258285	228083325	/nfs/dbraw/zinc/08/33/25/228083325.db2.gz	MIEUHEBASZXMHO-UHFFFAOYSA-N	-1	0	272.330	0.653	20	30		CCEDRM
C=CCOCCNS(=O)(=O)c1ccc(C(=O)[O-])cc1	ZINC000302381902	544981624	/nfs/dbraw/zinc/98/16/24/544981624.db2.gz	MASWAZRJGKVMLM-UHFFFAOYSA-N	-1	0	285.321	0.866	20	30		CCEDRM
C[C@](C#N)(NC(=O)CSc1n[nH]c(=O)[n-]1)C1CC1	ZINC000187645723	260042853	/nfs/dbraw/zinc/04/28/53/260042853.db2.gz	FOXHHHGBXDNRLB-SNVBAGLBSA-N	-1	0	267.314	0.411	20	30		CCEDRM
C=C(C)[C@H](CC(=O)N1CCO[C@H](c2nnn[n-]2)C1)OCC	ZINC000363443602	260260788	/nfs/dbraw/zinc/26/07/88/260260788.db2.gz	XDJJDPSJJLQZJG-QWRGUYRKSA-N	-1	0	295.343	0.471	20	30		CCEDRM
C=CCN(CC(=O)[O-])S(=O)(=O)N(C)[C@@H](C)CC#N	ZINC000518383285	260393590	/nfs/dbraw/zinc/39/35/90/260393590.db2.gz	ITTMLTAWVZXWNE-VIFPVBQESA-N	-1	0	275.330	0.038	20	30		CCEDRM
C#CCN(C)C(=O)c1cc(C)c2c(=O)[n-]c(=O)nc-2[nH]1	ZINC000491240919	261386193	/nfs/dbraw/zinc/38/61/93/261386193.db2.gz	DXGYYROZSIDFNK-UHFFFAOYSA-N	-1	0	272.264	0.450	20	30		CCEDRM
C[C@@H]1CCCN1S(=O)(=O)Nc1ccn(CCC#N)n1	ZINC000185250318	262303917	/nfs/dbraw/zinc/30/39/17/262303917.db2.gz	WMXFEDCPMPSDSM-SNVBAGLBSA-N	-1	0	283.357	0.938	20	30		CCEDRM
N#CCc1ccc(C(=O)N2CCOC[C@H]2C(=O)[O-])cc1	ZINC000262051682	262761767	/nfs/dbraw/zinc/76/17/67/262761767.db2.gz	AIBOJDUROVJVJW-LBPRGKRZSA-N	-1	0	274.276	0.678	20	30		CCEDRM
COC[C@](C)(C#N)NC(=O)c1cc([N+](=O)[O-])ccc1[O-]	ZINC000272354370	263003479	/nfs/dbraw/zinc/00/34/79/263003479.db2.gz	DEGKHGFHKMVXDA-LBPRGKRZSA-N	-1	0	279.252	0.959	20	30		CCEDRM
C[C@H](CN(C)C(=O)C1(C#N)CCCC1)c1nnn[n-]1	ZINC000273590694	263018223	/nfs/dbraw/zinc/01/82/23/263018223.db2.gz	SQHUGKYAMZQVRX-SECBINFHSA-N	-1	0	262.317	0.846	20	30		CCEDRM
CC(C)(C#N)C(=O)Nc1ccc(-n2nn[n-]c2=O)cc1	ZINC000276558172	263037313	/nfs/dbraw/zinc/03/73/13/263037313.db2.gz	GZKGNBYEWJRAGQ-UHFFFAOYSA-N	-1	0	272.268	0.444	20	30		CCEDRM
N#CCc1ccc(C(=O)NCc2n[nH]c(=O)[n-]2)cc1	ZINC000340201832	263091403	/nfs/dbraw/zinc/09/14/03/263091403.db2.gz	PFKJZUHLYLTXKY-UHFFFAOYSA-N	-1	0	257.253	0.506	20	30		CCEDRM
CO/N=C/C(=O)[N-]OC[C@@H](C)NC(=O)OC(C)(C)C	ZINC000289492867	263110680	/nfs/dbraw/zinc/11/06/80/263110680.db2.gz	RXNOUSOXQHXAAE-OPYOOOJUSA-N	-1	0	275.305	0.580	20	30		CCEDRM
CC(C)C[C@H](NS(=O)(=O)N(C)CCC#N)C(=O)[O-]	ZINC000340538824	263191597	/nfs/dbraw/zinc/19/15/97/263191597.db2.gz	WGNKJDRBBQCMOP-VIFPVBQESA-N	-1	0	277.346	0.166	20	30		CCEDRM
CCCc1nc(=NC(=O)N[C@H](C)C(=O)NCC)s[n-]1	ZINC000330866026	264057881	/nfs/dbraw/zinc/05/78/81/264057881.db2.gz	VBPSRRBQNWVPKM-SSDOTTSWSA-N	-1	0	285.373	0.763	20	30		CCEDRM
N#CCN1CCN(C(=O)c2cc([O-])ccc2[N+](=O)[O-])CC1	ZINC000330938713	264081839	/nfs/dbraw/zinc/08/18/39/264081839.db2.gz	BPDIDXDHOCVLFU-UHFFFAOYSA-N	-1	0	290.279	0.582	20	30		CCEDRM
C[C@@H](CCS(C)(=O)=O)NC(=O)N=c1cn[n-]s1	ZINC000331138776	264135895	/nfs/dbraw/zinc/13/58/95/264135895.db2.gz	DNJVUXHIWUSPPT-LURJTMIESA-N	-1	0	278.359	0.687	20	30		CCEDRM
C#CC[C@@H](NS(=O)(=O)Cc1ccc(F)cc1)C(=O)[O-]	ZINC000161252641	264280395	/nfs/dbraw/zinc/28/03/95/264280395.db2.gz	TYISBXYQJFDGMO-LLVKDONJSA-N	-1	0	285.296	0.722	20	30		CCEDRM
CC[C@H](C)NC(=O)N1CC(n2cc(C#N)c(=O)[n-]c2=O)C1	ZINC000527642283	267204706	/nfs/dbraw/zinc/20/47/06/267204706.db2.gz	ZAAIRNDWGOGCCX-QMMMGPOBSA-N	-1	0	291.311	0.185	20	30		CCEDRM
Cn1cccc1C(=O)C(=O)N=c1[nH][n-]c(C2CC2)c1C#N	ZINC000359724066	545080796	/nfs/dbraw/zinc/08/07/96/545080796.db2.gz	LGKDYLVLXAYTMF-UHFFFAOYSA-N	-1	0	283.291	0.741	20	30		CCEDRM
C=CCCS(=O)(=O)[N-]c1n[nH]c(C)c1C(N)=O	ZINC000185612925	277836495	/nfs/dbraw/zinc/83/64/95/277836495.db2.gz	JMXHSODBCVHSKF-UHFFFAOYSA-N	-1	0	258.303	0.135	20	30		CCEDRM
Cc1ncc2n1CC[C@H](C(=O)Nc1nc(C#N)c(C#N)[n-]1)C2	ZINC000352609960	293625166	/nfs/dbraw/zinc/62/51/66/293625166.db2.gz	MLVVGSXAZYHEBM-VIFPVBQESA-N	-1	0	295.306	0.859	20	30		CCEDRM
N#Cc1nc(NC(=O)c2ccc(C#N)nc2)[n-]c1C#N	ZINC000360511910	303216771	/nfs/dbraw/zinc/21/67/71/303216771.db2.gz	PCTXZTZIIJLKRK-UHFFFAOYSA-N	-1	0	263.220	0.672	20	30		CCEDRM
C=CCNC(=O)CNC(=O)NCC(CC)(CC)C(=O)[O-]	ZINC000393818890	327878683	/nfs/dbraw/zinc/87/86/83/327878683.db2.gz	PDSOWZUNHAKYJF-UHFFFAOYSA-N	-1	0	285.344	0.479	20	30		CCEDRM
C[C@H](C#N)CN(C)S(=O)(=O)N(C)CCCC(=O)[O-]	ZINC000563539445	328073376	/nfs/dbraw/zinc/07/33/76/328073376.db2.gz	RNTZREDUZSNVHF-SECBINFHSA-N	-1	0	277.346	0.119	20	30		CCEDRM
C=CCn1cc(CNC(=O)[C@@H](C(=O)[O-])C(C)C)nn1	ZINC000571326414	328107680	/nfs/dbraw/zinc/10/76/80/328107680.db2.gz	FNFRGSOLWWJOEF-JTQLQIEISA-N	-1	0	266.301	0.437	20	30		CCEDRM
N#CC(C(=O)NC1CCCC1)=C([O-])c1cccnn1	ZINC000528923105	328235936	/nfs/dbraw/zinc/23/59/36/328235936.db2.gz	DKTICPVBGNFXBP-SNVBAGLBSA-N	-1	0	258.281	0.858	20	30		CCEDRM
C#CCO[N-]C(=O)[C@H]1CCCN1C(=O)OCC(F)(F)F	ZINC000291017866	328261925	/nfs/dbraw/zinc/26/19/25/328261925.db2.gz	CBEAPRIKOBPYBT-MRVPVSSYSA-N	-1	0	294.229	0.831	20	30		CCEDRM
CN(CCC#N)S(=O)(=O)N[C@@H](C(=O)[O-])c1ccccc1	ZINC000340452276	328279352	/nfs/dbraw/zinc/27/93/52/328279352.db2.gz	YUXZRYPBJZXUAR-LLVKDONJSA-N	-1	0	297.336	0.492	20	30		CCEDRM
C=CCC[C@H](NC(=O)C1=NN(C)C(=O)CC1)C(=O)[O-]	ZINC000262955915	326977645	/nfs/dbraw/zinc/97/76/45/326977645.db2.gz	RCTROLJGELINLL-VIFPVBQESA-N	-1	0	267.285	0.130	20	30		CCEDRM
CC#CC[C@H](NS(=O)(=O)CCOCC1CC1)C(=O)[O-]	ZINC000564855090	327021400	/nfs/dbraw/zinc/02/14/00/327021400.db2.gz	CRAPIGSENJJZIB-NSHDSACASA-N	-1	0	289.353	0.199	20	30		CCEDRM
C=C(C)[C@@H]1OCC[C@H]1CNc1ncc(C(=O)[O-])cn1	ZINC000582125173	327311147	/nfs/dbraw/zinc/31/11/47/327311147.db2.gz	IYXYRQGMBHIYRU-ONGXEEELSA-N	-1	0	263.297	0.990	20	30		CCEDRM
N#CCCCS(=O)(=O)N1CCc2occc2[C@H]1C(=O)[O-]	ZINC000530141500	328690504	/nfs/dbraw/zinc/69/05/04/328690504.db2.gz	YTHKKGNUMMJDCZ-NSHDSACASA-N	-1	0	298.320	0.897	20	30		CCEDRM
CC[C@H](CNS(=O)(=O)N(C)C[C@@H](C)C#N)CC(=O)[O-]	ZINC000582245063	328846202	/nfs/dbraw/zinc/84/62/02/328846202.db2.gz	XLSKLJUMFLMBFI-UWVGGRQHSA-N	-1	0	291.373	0.413	20	30		CCEDRM
C[C@@H](CCNS(=O)(=O)c1ccc(C#N)nc1)CC(=O)[O-]	ZINC000392916311	329065688	/nfs/dbraw/zinc/06/56/88/329065688.db2.gz	HKZNKYFHSYXVKE-VIFPVBQESA-N	-1	0	297.336	0.732	20	30		CCEDRM
N#C[C@@H]1COCCN1Cc1nc(=O)c2sccc2[n-]1	ZINC000174849121	329164005	/nfs/dbraw/zinc/16/40/05/329164005.db2.gz	FTMGLIWNBQRVEN-MRVPVSSYSA-N	-1	0	276.321	0.709	20	30		CCEDRM
C=C[C@@H](CCC(=O)[O-])NS(=O)(=O)c1c(C)n[nH]c1C	ZINC000583009088	329301881	/nfs/dbraw/zinc/30/18/81/329301881.db2.gz	GSTFYFNDIUSQPV-VIFPVBQESA-N	-1	0	287.341	0.724	20	30		CCEDRM
C=C(C)CS(=O)(=O)N1CCO[C@@H](CC(=O)[O-])C1	ZINC000583750858	329472827	/nfs/dbraw/zinc/47/28/27/329472827.db2.gz	QHTDGBGQXXDTFT-VIFPVBQESA-N	-1	0	263.315	0.068	20	30		CCEDRM
C[C@H](C#N)NC(=O)c1cc(F)ccc1[N-]S(C)(=O)=O	ZINC000125714496	329586365	/nfs/dbraw/zinc/58/63/65/329586365.db2.gz	SEBHARAXUMXBMW-SSDOTTSWSA-N	-1	0	285.300	0.839	20	30		CCEDRM
CN(CC(=O)[O-])S(=O)(=O)CC1(C#N)CCCCC1	ZINC000261772810	329982799	/nfs/dbraw/zinc/98/27/99/329982799.db2.gz	MVSUXGZVAXWUBL-UHFFFAOYSA-N	-1	0	274.342	0.807	20	30		CCEDRM
CCC[C@H](NS(=O)(=O)CC1(C#N)CC1)C(=O)[O-]	ZINC000262348761	330007474	/nfs/dbraw/zinc/00/74/74/330007474.db2.gz	ARCDVTLWXSFOHI-QMMMGPOBSA-N	-1	0	260.315	0.463	20	30		CCEDRM
C=CCOC[C@H](NC(=O)c1cc(C(C)C)nn1C)C(=O)[O-]	ZINC000262909453	330036689	/nfs/dbraw/zinc/03/66/89/330036689.db2.gz	FHAODEJPPLXVIP-NSHDSACASA-N	-1	0	295.339	0.929	20	30		CCEDRM
C=CCOC[C@H](NC(=O)c1ncccc1C)C(=O)[O-]	ZINC000263086706	330042890	/nfs/dbraw/zinc/04/28/90/330042890.db2.gz	SJYCSRPOOSRROZ-JTQLQIEISA-N	-1	0	264.281	0.776	20	30		CCEDRM
C#C[C@H](NC(=O)N1CCC[C@@H](C(=O)[O-])C1)[C@H]1CCCO1	ZINC000263323071	330052145	/nfs/dbraw/zinc/05/21/45/330052145.db2.gz	AUZSTCSLNRXGSY-GRYCIOLGSA-N	-1	0	280.324	0.673	20	30		CCEDRM
C=CCOc1cccnc1C(=O)NC[C@](C)(O)C(=O)[O-]	ZINC000263446396	330056266	/nfs/dbraw/zinc/05/62/66/330056266.db2.gz	QZLNNXIYJADHOC-ZDUSSCGKSA-N	-1	0	280.280	0.212	20	30		CCEDRM
CC#CCN(C)C(=O)C(=O)N1C[C@H](C)C[C@H](C(=O)[O-])C1	ZINC000422947170	330162074	/nfs/dbraw/zinc/16/20/74/330162074.db2.gz	PYGAHAFPDBFEPY-MNOVXSKESA-N	-1	0	280.324	0.037	20	30		CCEDRM
C=CC[C@H](CO)NC(=O)NCCC(C)(C)C(=O)[O-]	ZINC000424408534	330350346	/nfs/dbraw/zinc/35/03/46/330350346.db2.gz	VRNJTGWADOVTED-SECBINFHSA-N	-1	0	258.318	0.724	20	30		CCEDRM
O=C(NCC#CCO)c1cc(F)cc(Cl)c1[O-]	ZINC000436528811	330679282	/nfs/dbraw/zinc/67/92/82/330679282.db2.gz	IZUHIIODLMXBAF-UHFFFAOYSA-N	-1	0	257.648	0.910	20	30		CCEDRM
COC(=O)CN(CC#N)C(=O)c1cc([N+](=O)[O-])ccc1[O-]	ZINC000436669186	330682583	/nfs/dbraw/zinc/68/25/83/330682583.db2.gz	HTZHXUNDSGWQCN-UHFFFAOYSA-N	-1	0	293.235	0.439	20	30		CCEDRM
C#C[C@@H](CC)NC(=O)N=c1[n-]n(C)cc1C(=O)OCC	ZINC000491148493	332156922	/nfs/dbraw/zinc/15/69/22/332156922.db2.gz	WDNDNKOUTMOOQI-VIFPVBQESA-N	-1	0	278.312	0.552	20	30		CCEDRM
C#CCN(CC#CC)S(=O)(=O)c1cc(C(=O)[O-])co1	ZINC000491415568	332207601	/nfs/dbraw/zinc/20/76/01/332207601.db2.gz	HOAMUHHBMGUNHK-UHFFFAOYSA-N	-1	0	281.289	0.625	20	30		CCEDRM
C#CCn1ccnc1C=NN=c1ccc(-n2ccnc2)n[n-]1	ZINC000491813336	332365002	/nfs/dbraw/zinc/36/50/02/332365002.db2.gz	AMDGPWKWOXKHJP-UHFFFAOYSA-N	-1	0	292.306	0.360	20	30		CCEDRM
Cn1nccc1/C=C/C(=O)[N-]S(=O)(=O)CC(C)(C)C#N	ZINC000492343957	332393511	/nfs/dbraw/zinc/39/35/11/332393511.db2.gz	OLEKOKWHUVKJRP-SNAWJCMRSA-N	-1	0	296.352	0.429	20	30		CCEDRM
C#CCCS(=O)(=O)[N-]C(=O)/C=C\c1cnccc1C	ZINC000493213854	332430764	/nfs/dbraw/zinc/43/07/64/332430764.db2.gz	DZPKVLZICNUMAI-WAYWQWQTSA-N	-1	0	278.333	0.873	20	30		CCEDRM
C=CCN(C)C(=O)C(=O)N1CC[C@@H](C)[C@@H](C(=O)[O-])C1	ZINC000575749049	335111730	/nfs/dbraw/zinc/11/17/30/335111730.db2.gz	KOYBQSUGOCTUDV-ZJUUUORDSA-N	-1	0	268.313	0.200	20	30		CCEDRM
C=CCN(C)S(=O)(=O)c1ccc2c(c1)C[C@H](C(=O)[O-])O2	ZINC000516968108	333088309	/nfs/dbraw/zinc/08/83/09/333088309.db2.gz	CVHNHCNYJLWONU-GFCCVEGCSA-N	-1	0	297.332	0.881	20	30		CCEDRM
C#CCN(CC#C)S(=O)(=O)c1csc(C(=O)[O-])c1	ZINC000185039013	333134570	/nfs/dbraw/zinc/13/45/70/333134570.db2.gz	UNNBFIUNSGASFJ-UHFFFAOYSA-N	-1	0	283.330	0.703	20	30		CCEDRM
Cn1cc(S(=O)(=O)NCC(C)(C)CC#N)cc1C(=O)[O-]	ZINC000315770983	333383696	/nfs/dbraw/zinc/38/36/96/333383696.db2.gz	JTWBUDXOFIJPQR-UHFFFAOYSA-N	-1	0	299.352	0.941	20	30		CCEDRM
C=CCCS(=O)(=O)N[C@@H](CC(=O)[O-])C1CCOCC1	ZINC000547936998	334130036	/nfs/dbraw/zinc/13/00/36/334130036.db2.gz	WLXVWYUAOKKHQR-NSHDSACASA-N	-1	0	291.369	0.752	20	30		CCEDRM
C[C@@](CO)(CNS(=O)(=O)CCCCC#N)CC(=O)[O-]	ZINC000548028341	334135555	/nfs/dbraw/zinc/13/55/55/334135555.db2.gz	WPNWGSWRGPYXIC-NSHDSACASA-N	-1	0	292.357	0.073	20	30		CCEDRM
N#CCCCS(=O)(=O)NCC1(C(=O)[O-])CCCC1	ZINC000548217510	334146725	/nfs/dbraw/zinc/14/67/25/334146725.db2.gz	CCTOHVPZBQUVFG-UHFFFAOYSA-N	-1	0	274.342	0.855	20	30		CCEDRM
C=CCN(CC(=O)[O-])S(=O)(=O)c1ccc(C#N)cc1F	ZINC000548243450	334146931	/nfs/dbraw/zinc/14/69/31/334146931.db2.gz	XXPNEUXYNDHJMN-UHFFFAOYSA-N	-1	0	298.295	0.959	20	30		CCEDRM
N#CC1(CS(=O)(=O)N2C[C@H]3CCC[C@@]3(C(=O)[O-])C2)CC1	ZINC000548250845	334147208	/nfs/dbraw/zinc/14/72/08/334147208.db2.gz	WCLLLPGURIJUMI-ZWNOBZJWSA-N	-1	0	298.364	0.807	20	30		CCEDRM
COCCN([C@@H](C)C(=O)[O-])S(=O)(=O)CC1(C#N)CC1	ZINC000548577694	334162901	/nfs/dbraw/zinc/16/29/01/334162901.db2.gz	IBIDYNXWBIZSNA-VIFPVBQESA-N	-1	0	290.341	0.041	20	30		CCEDRM
C=CCCS(=O)(=O)N[C@H](C(=O)[O-])[C@@H](O)CCC	ZINC000548595210	334163194	/nfs/dbraw/zinc/16/31/94/334163194.db2.gz	NQMXWCGIXFUENI-IUCAKERBSA-N	-1	0	265.331	0.096	20	30		CCEDRM
C=CCC[C@@H](NS(=O)(=O)c1c(C)cnn1C)C(=O)[O-]	ZINC000551995858	334271509	/nfs/dbraw/zinc/27/15/09/334271509.db2.gz	VBJRVKQTHUALRN-SECBINFHSA-N	-1	0	287.341	0.426	20	30		CCEDRM
C[C@@H]1[C@@H](C(=O)[O-])CCN1S(=O)(=O)CC1(C#N)CC1	ZINC000554677972	334445884	/nfs/dbraw/zinc/44/58/84/334445884.db2.gz	VLZRJMMSZWPGLY-BDAKNGLRSA-N	-1	0	272.326	0.415	20	30		CCEDRM
C=CCC[C@H](NS(=O)(=O)Cc1cc(C)no1)C(=O)[O-]	ZINC000566061502	334619172	/nfs/dbraw/zinc/61/91/72/334619172.db2.gz	TWDONMIOINQCRR-JTQLQIEISA-N	-1	0	288.325	0.822	20	30		CCEDRM
C=C(C)[C@H]1OCC[C@H]1CNc1ccc(C(=O)[O-])nn1	ZINC000566799756	334664763	/nfs/dbraw/zinc/66/47/63/334664763.db2.gz	LVGNJQYKIHCKFZ-JOYOIKCWSA-N	-1	0	263.297	0.990	20	30		CCEDRM
C=CCC[C@@H](NS(=O)(=O)c1c(C)n[nH]c1C)C(=O)[O-]	ZINC000316486562	334822053	/nfs/dbraw/zinc/82/20/53/334822053.db2.gz	QASRDYBRQFSOGO-SECBINFHSA-N	-1	0	287.341	0.724	20	30		CCEDRM
C[C@@H](C(=O)[O-])[C@H](C)NS(=O)(=O)N(C)[C@@H](C)CC#N	ZINC000581073772	336004449	/nfs/dbraw/zinc/00/44/49/336004449.db2.gz	JAUBNOKAIYIFGF-YIZRAAEISA-N	-1	0	277.346	0.164	20	30		CCEDRM
C[C@H](CC#N)N(C)S(=O)(=O)N[C@@H](C)[C@@H](C)C(=O)[O-]	ZINC000581073767	336004456	/nfs/dbraw/zinc/00/44/56/336004456.db2.gz	JAUBNOKAIYIFGF-HLTSFMKQSA-N	-1	0	277.346	0.164	20	30		CCEDRM
Cc1ncc(S(=O)(=O)NC2(C(=O)[O-])CC2)cc1C#N	ZINC000382214646	336084604	/nfs/dbraw/zinc/08/46/04/336084604.db2.gz	PNMGSTUKQRMBMX-UHFFFAOYSA-N	-1	0	281.293	0.157	20	30		CCEDRM
N#Cc1ccccc1S(=O)(=O)N1CC[C@H]1C(=O)[O-]	ZINC000384662013	336128652	/nfs/dbraw/zinc/12/86/52/336128652.db2.gz	UVWZTIDGRQIWKE-VIFPVBQESA-N	-1	0	266.278	0.406	20	30		CCEDRM
C[C@@H](Sc1n[nH]c(=O)[n-]1)C(=O)NC1(C#N)CCC1	ZINC000331577518	534019021	/nfs/dbraw/zinc/01/90/21/534019021.db2.gz	LCCYVEPTKSNJND-ZCFIWIBFSA-N	-1	0	267.314	0.553	20	30		CCEDRM
CC(=O)N1CC[C@H](NC(=O)N=c2[n-]nc(C)s2)C1	ZINC000329958073	526656152	/nfs/dbraw/zinc/65/61/52/526656152.db2.gz	QKBVZAYXOKGPFM-QMMMGPOBSA-N	-1	0	269.330	0.215	20	30		CCEDRM
C=CCOCCCSc1n[n-]c2nc(=O)c(C)nn21	ZINC000356063230	526763615	/nfs/dbraw/zinc/76/36/15/526763615.db2.gz	SEXNICBOYCMHHH-UHFFFAOYSA-N	-1	0	281.341	0.806	20	30		CCEDRM
C=CCOC[C@H](NC(=O)[C@H](OC)[C@H](C)CC)C(=O)[O-]	ZINC000668289988	545171407	/nfs/dbraw/zinc/17/14/07/545171407.db2.gz	IAECUQOLXNSVSR-OUAUKWLOSA-N	-1	0	273.329	0.820	20	30		CCEDRM
CC(C)Oc1ccc(=NC(=O)NC[C@@H]2COCCO2)[n-]n1	ZINC000329019685	528131263	/nfs/dbraw/zinc/13/12/63/528131263.db2.gz	HKENQBABWCNGHQ-SNVBAGLBSA-N	-1	0	296.327	0.427	20	30		CCEDRM
CCC[C@H](NC(=O)c1cc(C#N)[nH]c1C)c1nnn[n-]1	ZINC000450119579	528202100	/nfs/dbraw/zinc/20/21/00/528202100.db2.gz	CYTYYPOQPKNSPB-JTQLQIEISA-N	-1	0	273.300	0.979	20	30		CCEDRM
CC(C)(NC(=O)Cc1c(F)cccc1C#N)c1nnn[n-]1	ZINC000353482099	535222613	/nfs/dbraw/zinc/22/26/13/535222613.db2.gz	LGOFECCWNKSMPG-UHFFFAOYSA-N	-1	0	288.286	0.804	20	30		CCEDRM
C=CC[C@@H](NS(=O)(=O)C[C@H]1CCCCO1)C(=O)[O-]	ZINC000681557880	545456141	/nfs/dbraw/zinc/45/61/41/545456141.db2.gz	JQXRGONNYCJIND-NXEZZACHSA-N	-1	0	277.342	0.504	20	30		CCEDRM
C=CC[C@H](NS(=O)(=O)N1CC[C@@H](C)C1)C(=O)[O-]	ZINC000681558711	545456216	/nfs/dbraw/zinc/45/62/16/545456216.db2.gz	VSMWIRVXRVHINY-BDAKNGLRSA-N	-1	0	262.331	0.192	20	30		CCEDRM
C=CCC[C@H](NS(=O)(=O)N(C)CC1CC1)C(=O)[O-]	ZINC000681579400	545456806	/nfs/dbraw/zinc/45/68/06/545456806.db2.gz	NBTGIKDGPKADDM-JTQLQIEISA-N	-1	0	276.358	0.582	20	30		CCEDRM
N#Cc1ccc(S(=O)(=O)NC/C=C/C(=O)[O-])cc1	ZINC000305881091	649886819	/nfs/dbraw/zinc/88/68/19/649886819.db2.gz	AWWYUPLLAHBXFF-OWOJBTEDSA-N	-1	0	266.278	0.477	20	30		CCEDRM
C#CCCS(=O)(=O)[N-]C(=O)[C@H](C)OCC1CC1	ZINC000791108028	581207594	/nfs/dbraw/zinc/20/75/94/581207594.db2.gz	JMJLJHFNPZDSQC-VIFPVBQESA-N	-1	0	259.327	0.271	20	30		CCEDRM
CC(=NOCC(N)=O)c1cc(C(=O)[O-])ccc1C	ZINC000788437053	581110961	/nfs/dbraw/zinc/11/09/61/581110961.db2.gz	LPRRWMPFYHNDHR-UHFFFAOYSA-N	-1	0	250.254	0.919	20	30		CCEDRM
CNC(=O)C(C#N)=C([O-])c1cc(C(C)=O)c(C)nc1C	ZINC000777298082	581112248	/nfs/dbraw/zinc/11/22/48/581112248.db2.gz	VBAGUCCLPWVXKQ-LBPRGKRZSA-N	-1	0	273.292	0.970	20	30		CCEDRM
C=CCS(=O)(=O)[N-]C(=O)Cc1cccc([N+](=O)[O-])c1	ZINC000777351840	581113351	/nfs/dbraw/zinc/11/33/51/581113351.db2.gz	PJGJDSUBONSEAC-UHFFFAOYSA-N	-1	0	284.293	0.769	20	30		CCEDRM
C=CCS(=O)(=O)[N-]C(=O)c1ccn(CC(F)F)n1	ZINC000789460567	581149779	/nfs/dbraw/zinc/14/97/79/581149779.db2.gz	PNKRHOSFVDOGBI-UHFFFAOYSA-N	-1	0	279.268	0.394	20	30		CCEDRM
C=CC[C@@H](C(=O)[N-]S(=O)(=O)CC(N)=O)c1ccccc1	ZINC000778724697	581164737	/nfs/dbraw/zinc/16/47/37/581164737.db2.gz	NNLQFKZKPFCKDT-LLVKDONJSA-N	-1	0	296.348	0.278	20	30		CCEDRM
N#CCN(CC(=O)[O-])C(=O)/C=C\C1CCOCC1	ZINC000739078043	581172308	/nfs/dbraw/zinc/17/23/08/581172308.db2.gz	XDWMQZNWHRBGAI-UPHRSURJSA-N	-1	0	252.270	0.406	20	30		CCEDRM
N#Cc1ccc([C@@H](C(=O)[O-])N2CCS(=O)CC2)cc1	ZINC000739104295	581178936	/nfs/dbraw/zinc/17/89/36/581178936.db2.gz	FNVCXCOGGFWRMU-LBPRGKRZSA-N	-1	0	278.333	0.748	20	30		CCEDRM
C[C@H](CNC(=O)[O-])N(C)S(=O)(=O)CCCC#N	ZINC000738939824	581207491	/nfs/dbraw/zinc/20/74/91/581207491.db2.gz	GZVPBOLEKNMEMC-MRVPVSSYSA-N	-1	0	263.319	0.208	20	30		CCEDRM
C=CCS(=O)(=O)[N-]C(=O)Cn1c(C)nc2ccccc21	ZINC000780464644	581229439	/nfs/dbraw/zinc/22/94/39/581229439.db2.gz	OIMSUSUTQIPJJS-UHFFFAOYSA-N	-1	0	293.348	0.977	20	30		CCEDRM
C=CCNC(=O)C(C#N)=C([O-])c1cn(C(C)(C)C)nn1	ZINC000791770793	581233469	/nfs/dbraw/zinc/23/34/69/581233469.db2.gz	FQIDIUOYCXJJCS-SECBINFHSA-N	-1	0	275.312	0.658	20	30		CCEDRM
COCCN(CCC#N)C(=O)[C@H]1CCCN(C(=O)[O-])C1	ZINC000738064008	581281230	/nfs/dbraw/zinc/28/12/30/581281230.db2.gz	FHLJPKHXHAKCMJ-NSHDSACASA-N	-1	0	283.328	0.765	20	30		CCEDRM
CC[C@H](NN=Cc1cn(C(C)(C)C)nn1)C(=O)[O-]	ZINC000793073121	581283493	/nfs/dbraw/zinc/28/34/93/581283493.db2.gz	YRPLTLBWAWHVEH-VIFPVBQESA-N	-1	0	253.306	0.820	20	30		CCEDRM
CC[C@H](NN=C(C)c1cccc(S(N)(=O)=O)c1)C(=O)[O-]	ZINC000793073998	581283724	/nfs/dbraw/zinc/28/37/24/581283724.db2.gz	ZBVFBZKFJPGDCS-NSHDSACASA-N	-1	0	299.352	0.511	20	30		CCEDRM
N#Cc1c[n-]n2c1nc(COC(=O)C1CC1)cc2=O	ZINC000782024566	581285653	/nfs/dbraw/zinc/28/56/53/581285653.db2.gz	PWERXILKDCQAQI-UHFFFAOYSA-N	-1	0	258.237	0.760	20	30		CCEDRM
N#CC1(CS(=O)(=O)[N-]C(=O)C[C@H]2CCCOC2)CC1	ZINC000793195995	581287756	/nfs/dbraw/zinc/28/77/56/581287756.db2.gz	DZGOQUOVNHJRPD-SNVBAGLBSA-N	-1	0	286.353	0.553	20	30		CCEDRM
CC[C@@H](C)OCC(=O)[N-]S(=O)(=O)CC1(C#N)CC1	ZINC000793195205	581287795	/nfs/dbraw/zinc/28/77/95/581287795.db2.gz	AESGDZDCBGLKLA-SECBINFHSA-N	-1	0	274.342	0.551	20	30		CCEDRM
Cc1c(C(=O)[N-]S(=O)(=O)CC2(C#N)CC2)ccn1C	ZINC000793195886	581287822	/nfs/dbraw/zinc/28/78/22/581287822.db2.gz	OYLWWEAKRITFKZ-UHFFFAOYSA-N	-1	0	281.337	0.697	20	30		CCEDRM
N#CC1(C(=O)N2CCC[C@@H](NC(=O)[O-])C2)CCOCC1	ZINC000738420950	581314162	/nfs/dbraw/zinc/31/41/62/581314162.db2.gz	AARXQKXYUBSRBS-SNVBAGLBSA-N	-1	0	281.312	0.565	20	30		CCEDRM
CO[C@@H](C)CCC(=O)[N-]S(=O)(=O)CC(C)(C)C#N	ZINC000782631774	581316120	/nfs/dbraw/zinc/31/61/20/581316120.db2.gz	OIHNWTCLKNWLOU-VIFPVBQESA-N	-1	0	276.358	0.797	20	30		CCEDRM
Cc1nc(S(=O)(=O)[N-]c2cnn(CC#N)c2)c[nH]1	ZINC000727359942	581317154	/nfs/dbraw/zinc/31/71/54/581317154.db2.gz	VGESZTZVSRQFRD-UHFFFAOYSA-N	-1	0	266.286	0.239	20	30		CCEDRM
COCCN(CC(=O)[O-])CC(=O)N[C@@](C)(C#N)C(C)C	ZINC000737777715	581321007	/nfs/dbraw/zinc/32/10/07/581321007.db2.gz	MJMJRFQCAXVUOP-ZDUSSCGKSA-N	-1	0	285.344	0.074	20	30		CCEDRM
COCCN(CC(=O)[O-])CC(=O)N[C@](C)(C#N)C(C)C	ZINC000737777713	581321259	/nfs/dbraw/zinc/32/12/59/581321259.db2.gz	MJMJRFQCAXVUOP-CYBMUJFWSA-N	-1	0	285.344	0.074	20	30		CCEDRM
N#CC1(C(=O)NC[C@H]2CCCN2C(=O)[O-])CCC1	ZINC000740309679	581323525	/nfs/dbraw/zinc/32/35/25/581323525.db2.gz	LPTSGLHQNMOBCU-SECBINFHSA-N	-1	0	251.286	0.939	20	30		CCEDRM
C#CCCN1CCN(C(=O)[C@@H]2CCCCN2C(=O)[O-])CC1	ZINC000738456691	581330728	/nfs/dbraw/zinc/33/07/28/581330728.db2.gz	ADNYWAOQTQWJTR-ZDUSSCGKSA-N	-1	0	293.367	0.686	20	30		CCEDRM
C=C[C@@](C)(CCOC)C(=O)[N-]S(=O)(=O)[C@H](C)COC	ZINC000783098124	581335624	/nfs/dbraw/zinc/33/56/24/581335624.db2.gz	NEINHAHXZGKKIN-PWSUYJOCSA-N	-1	0	293.385	0.696	20	30		CCEDRM
CSCCO[N-]C(=O)CNc1ccc(C#N)cn1	ZINC000794187685	581352931	/nfs/dbraw/zinc/35/29/31/581352931.db2.gz	HAPFNCJFROSHIU-UHFFFAOYSA-N	-1	0	266.326	0.776	20	30		CCEDRM
C=CCN(CC(=O)OCC)C(=O)CN(C)C(=O)[O-]	ZINC000738490070	581360111	/nfs/dbraw/zinc/36/01/11/581360111.db2.gz	LUEMADLINPHZMG-UHFFFAOYSA-N	-1	0	258.274	0.174	20	30		CCEDRM
O=C([O-])Cn1cc(/C=C\C(=O)c2ccnc(F)c2)nn1	ZINC000794721315	581385264	/nfs/dbraw/zinc/38/52/64/581385264.db2.gz	JPKNXPGFHVQSOT-UPHRSURJSA-N	-1	0	276.227	0.793	20	30		CCEDRM
CCNc1nc(NCC)[n-]c(=NN=C2C(=O)OC[C@@H]2C)n1	ZINC000794863075	581389586	/nfs/dbraw/zinc/38/95/86/581389586.db2.gz	CRBUMTVBTFFXAK-ZETCQYMHSA-N	-1	0	293.331	0.696	20	30		CCEDRM
C[C@H](Oc1ccc(C=NN2CN=NC2=O)cc1)C(=O)[O-]	ZINC000794922190	581390932	/nfs/dbraw/zinc/39/09/32/581390932.db2.gz	ORIYJSSZZUKKIW-QMMMGPOBSA-N	-1	0	276.252	0.718	20	30		CCEDRM
COC[C@@H](C#N)OC(=O)c1ccccc1[N-]S(C)(=O)=O	ZINC000785074595	581401004	/nfs/dbraw/zinc/40/10/04/581401004.db2.gz	GXOKJHATURXTJU-SECBINFHSA-N	-1	0	298.320	0.753	20	30		CCEDRM
C=C(C)[C@H]1OCC[C@H]1C(=O)[N-]S(=O)(=O)c1cccnc1	ZINC000786274068	581436219	/nfs/dbraw/zinc/43/62/19/581436219.db2.gz	VVERLUWMGDBSLL-VXGBXAGGSA-N	-1	0	296.348	0.868	20	30		CCEDRM
CC(C)(C#N)CC(=O)[N-]S(=O)(=O)[C@H]1CCCOC1	ZINC000786484891	581442401	/nfs/dbraw/zinc/44/24/01/581442401.db2.gz	PXJUBYPPEXKEGJ-VIFPVBQESA-N	-1	0	274.342	0.551	20	30		CCEDRM
CC(C)(C#N)CC(=O)[N-]S(=O)(=O)[C@@H]1CCCOC1	ZINC000786484890	581442564	/nfs/dbraw/zinc/44/25/64/581442564.db2.gz	PXJUBYPPEXKEGJ-SECBINFHSA-N	-1	0	274.342	0.551	20	30		CCEDRM
COC[C@@H](C)S(=O)(=O)[N-]C(=O)c1ccnc(C#N)c1	ZINC000796713384	581448824	/nfs/dbraw/zinc/44/88/24/581448824.db2.gz	QSPMHSQYGXYVJK-MRVPVSSYSA-N	-1	0	283.309	0.048	20	30		CCEDRM
N#Cc1cc(C(=O)[N-]S(=O)(=O)C[C@@H]2CCOC2)ccn1	ZINC000796802893	581451141	/nfs/dbraw/zinc/45/11/41/581451141.db2.gz	JVQDNFNASDWKNP-SECBINFHSA-N	-1	0	295.320	0.049	20	30		CCEDRM
C=CCC(C)(C)C(=O)[N-]S(=O)(=O)CCCC(=O)OC	ZINC000796883680	581453761	/nfs/dbraw/zinc/45/37/61/581453761.db2.gz	STAIHCPWORNTCU-UHFFFAOYSA-N	-1	0	291.369	0.988	20	30		CCEDRM
C[C@H](Oc1ccc(C#N)cc1)C(=O)[N-]OCCO	ZINC000787293923	581465652	/nfs/dbraw/zinc/46/56/52/581465652.db2.gz	QXCZCUHJDYXYSU-VIFPVBQESA-N	-1	0	250.254	0.366	20	30		CCEDRM
C[C@@H]1CN(C(=O)c2ccc(C#N)cn2)CCN1C(=O)[O-]	ZINC000739166748	581515286	/nfs/dbraw/zinc/51/52/86/581515286.db2.gz	MVPQTFQBSVCVMP-SECBINFHSA-N	-1	0	274.280	0.778	20	30		CCEDRM
CC(C)[C@@](C)(C#N)NC(=O)CN1CCN(C(=O)[O-])[C@H](C)C1	ZINC000739177956	581517515	/nfs/dbraw/zinc/51/75/15/581517515.db2.gz	YEGXNMHSDLXOBL-BXUZGUMPSA-N	-1	0	296.371	0.725	20	30		CCEDRM
C=CCNC(=O)C(C#N)=C([O-])c1ccc2nncn2c1	ZINC000733678541	581518052	/nfs/dbraw/zinc/51/80/52/581518052.db2.gz	CTUGMUKVKMONFO-JTQLQIEISA-N	-1	0	269.264	0.354	20	30		CCEDRM
C=CCCOCC(=O)[N-]S(=O)(=O)[C@H](C)COC	ZINC000733719078	581521010	/nfs/dbraw/zinc/52/10/10/581521010.db2.gz	HFGUNYSVJYBTCR-SECBINFHSA-N	-1	0	265.331	0.060	20	30		CCEDRM
CC[C@@](C)(C#N)NC(=O)CN(C[C@@H]1CCCO1)C(=O)[O-]	ZINC000739212847	581524291	/nfs/dbraw/zinc/52/42/91/581524291.db2.gz	GIHZFWZVTRGCCD-GWCFXTLKSA-N	-1	0	283.328	0.954	20	30		CCEDRM
O=C([O-])c1ccc2c(C=NN3CCOCC3)[nH]nc2c1	ZINC000765549243	581524967	/nfs/dbraw/zinc/52/49/67/581524967.db2.gz	SOGUECBTTLLOHG-UHFFFAOYSA-N	-1	0	274.280	0.927	20	30		CCEDRM
CCC[C@H](NC(=O)[O-])C(=O)OCCn1ncc(C#N)c1N	ZINC000739329217	581537477	/nfs/dbraw/zinc/53/74/77/581537477.db2.gz	MCNCHHAHCWYHGS-VIFPVBQESA-N	-1	0	295.299	0.316	20	30		CCEDRM
CCN(C[C@@H](C)C#N)C(=O)CN1CCN(C(=O)[O-])C[C@@H]1C	ZINC000739402175	581546950	/nfs/dbraw/zinc/54/69/50/581546950.db2.gz	CTZFYHYDYBIFNJ-RYUDHWBXSA-N	-1	0	296.371	0.679	20	30		CCEDRM
CC[C@H](NC(=O)[O-])C(=O)N1CCN(C2CC2)[C@@H](C#N)C1	ZINC000739524307	581564917	/nfs/dbraw/zinc/56/49/17/581564917.db2.gz	FQDJFCJHSIZFSF-QWRGUYRKSA-N	-1	0	280.328	0.231	20	30		CCEDRM
CC[C@H](NC(=O)[O-])C(=O)NC1CCN(CC#N)CC1	ZINC000739529684	581566171	/nfs/dbraw/zinc/56/61/71/581566171.db2.gz	IDWVUAAKDDSXSB-JTQLQIEISA-N	-1	0	268.317	0.137	20	30		CCEDRM
N#CC(C(=O)NC1CC1)=C([O-])c1ccc(C#N)nc1	ZINC000734706678	581582215	/nfs/dbraw/zinc/58/22/15/581582215.db2.gz	RBJICNUNPPDNKZ-NSHDSACASA-N	-1	0	254.249	0.554	20	30		CCEDRM
CN(CCNS(=O)(=O)c1cccc(C#N)c1)C(=O)[O-]	ZINC000739701515	581597146	/nfs/dbraw/zinc/59/71/46/581597146.db2.gz	RDFHOLMQTFKWDU-UHFFFAOYSA-N	-1	0	283.309	0.446	20	30		CCEDRM
N#Cc1ccccc1CS(=O)(=O)[N-]C(=O)c1cocn1	ZINC000729885567	581618693	/nfs/dbraw/zinc/61/86/93/581618693.db2.gz	AZRCSGYLKLLGFO-UHFFFAOYSA-N	-1	0	291.288	0.806	20	30		CCEDRM
C=CCOCC(=O)[N-]S(=O)(=O)c1c(C)noc1C	ZINC000729887667	581618700	/nfs/dbraw/zinc/61/87/00/581618700.db2.gz	ZLMZVBZVOOHBQR-UHFFFAOYSA-N	-1	0	274.298	0.299	20	30		CCEDRM
N#C[C@@H]1CN(C(=O)N[C@H]2CCCCN(C(=O)[O-])C2)CCO1	ZINC000740306275	581662964	/nfs/dbraw/zinc/66/29/64/581662964.db2.gz	DPIOSKHSSTZMPO-WDEREUQCSA-N	-1	0	296.327	0.453	20	30		CCEDRM
N#C[C@@H]1CN(C(=O)c2ccc(CNC(=O)[O-])cc2)CCO1	ZINC000740306807	581662969	/nfs/dbraw/zinc/66/29/69/581662969.db2.gz	KYSBPCMBGVMTJW-GFCCVEGCSA-N	-1	0	289.291	0.819	20	30		CCEDRM
N#CC1(NC(=O)CN(C[C@H]2CCCO2)C(=O)[O-])CC1	ZINC000740309690	581663950	/nfs/dbraw/zinc/66/39/50/581663950.db2.gz	LXISEVLAYZIGOG-SECBINFHSA-N	-1	0	267.285	0.318	20	30		CCEDRM
N#CCc1ccc(NC(=O)COCCNC(=O)[O-])cc1	ZINC000740310972	581664033	/nfs/dbraw/zinc/66/40/33/581664033.db2.gz	PSNLKIZEZWEYRI-UHFFFAOYSA-N	-1	0	277.280	0.975	20	30		CCEDRM
N#Cc1cnn(CCOC(=O)[C@@H]2CCCN2C(=O)[O-])c1N	ZINC000740322353	581664996	/nfs/dbraw/zinc/66/49/96/581664996.db2.gz	CBJBGXQYGDLKDR-VIFPVBQESA-N	-1	0	293.283	0.023	20	30		CCEDRM
N#Cc1cccc(CNC(=O)COCCNC(=O)[O-])c1	ZINC000740320153	581665295	/nfs/dbraw/zinc/66/52/95/581665295.db2.gz	IKVQRBPTYBCKPX-UHFFFAOYSA-N	-1	0	277.280	0.459	20	30		CCEDRM
C#CCNC(=O)COC(=O)c1ccccc1NC(=O)[O-]	ZINC000736076806	581694692	/nfs/dbraw/zinc/69/46/92/581694692.db2.gz	VBUYVPATZZYDBD-UHFFFAOYSA-N	-1	0	276.248	0.683	20	30		CCEDRM
CC(=O)Nc1nc(C(=O)N(CC#N)CC(=O)[O-])cs1	ZINC000736169700	581710834	/nfs/dbraw/zinc/71/08/34/581710834.db2.gz	TVXIYOSYQWKWEI-UHFFFAOYSA-N	-1	0	282.281	0.152	20	30		CCEDRM
C[C@](C#N)(NC(=O)CN1CCC[C@H]1C(=O)[O-])C1CC1	ZINC000736203671	581715284	/nfs/dbraw/zinc/71/52/84/581715284.db2.gz	VNXRWJMXLTWCPX-GXFFZTMASA-N	-1	0	265.313	0.344	20	30		CCEDRM
CC(C)(C#N)CS(=O)(=O)[N-]C(=O)C[C@H]1CCOC1	ZINC000753997808	581716630	/nfs/dbraw/zinc/71/66/30/581716630.db2.gz	BJDLKBJCRAFVSO-SECBINFHSA-N	-1	0	274.342	0.409	20	30		CCEDRM
CC#CCOC(=O)[C@@H](NS(C)(=O)=O)C(C)(C)C	ZINC000770114373	581730638	/nfs/dbraw/zinc/73/06/38/581730638.db2.gz	YRTZMJJGFPTWQR-SECBINFHSA-N	-1	0	261.343	0.517	20	30		CCEDRM
CC(C)(NC(=O)CNc1ccc(C#N)cc1)C(=O)[O-]	ZINC000736324450	581741028	/nfs/dbraw/zinc/74/10/28/581741028.db2.gz	PRIKCLISESZWQD-UHFFFAOYSA-N	-1	0	261.281	0.950	20	30		CCEDRM
CCC[C@@H](C)C(=O)Nc1nc(C#N)c(-c2nn[nH]n2)[n-]1	ZINC000736418796	581763624	/nfs/dbraw/zinc/76/36/24/581763624.db2.gz	HEQQUHJGNYHJGB-ZCFIWIBFSA-N	-1	0	274.288	0.836	20	30		CCEDRM
COC(=O)NCCC(=O)C(C#N)=C([O-])c1nccn1C	ZINC000770862468	581775346	/nfs/dbraw/zinc/77/53/46/581775346.db2.gz	NBRYEOUDYXPFSW-QMMMGPOBSA-N	-1	0	278.268	0.058	20	30		CCEDRM
CC(C)NC(=O)CN[C@@H](C(=O)[O-])c1ccc(C#N)cc1	ZINC000736476616	581775561	/nfs/dbraw/zinc/77/55/61/581775561.db2.gz	MZOCIMLHIONPDW-CYBMUJFWSA-N	-1	0	275.308	0.798	20	30		CCEDRM
Cn1ccnc1C([O-])=C(C#N)C(=O)CCn1ccccc1=O	ZINC000770861492	581775740	/nfs/dbraw/zinc/77/57/40/581775740.db2.gz	FZKIQBYJANYADN-LLVKDONJSA-N	-1	0	298.302	0.564	20	30		CCEDRM
CC(C)NC(=O)CN[C@H](C(=O)[O-])c1ccc(C#N)cc1	ZINC000736476617	581775820	/nfs/dbraw/zinc/77/58/20/581775820.db2.gz	MZOCIMLHIONPDW-ZDUSSCGKSA-N	-1	0	275.308	0.798	20	30		CCEDRM
CO[C@@H](C(=O)[N-]S(=O)(=O)CCCC#N)C(C)C	ZINC000770908313	581777634	/nfs/dbraw/zinc/77/76/34/581777634.db2.gz	FWDYMZOVTYOABI-SECBINFHSA-N	-1	0	262.331	0.407	20	30		CCEDRM
CCCCOCC(=O)[N-]S(=O)(=O)CC1(C#N)CCC1	ZINC000771078164	581790220	/nfs/dbraw/zinc/79/02/20/581790220.db2.gz	QYTAOWDGUXXTHZ-UHFFFAOYSA-N	-1	0	288.369	0.943	20	30		CCEDRM
NC(=O)CON=Cc1ccc(OC(F)(F)C(=O)[O-])cc1	ZINC000771577833	581809867	/nfs/dbraw/zinc/80/98/67/581809867.db2.gz	HMGDJHXVACGSGK-UHFFFAOYSA-N	-1	0	288.206	0.579	20	30		CCEDRM
CC(=NOCC(N)=O)c1ccc([O-])c([N+](=O)[O-])c1	ZINC000771579538	581810786	/nfs/dbraw/zinc/81/07/86/581810786.db2.gz	YVWCXYOJLGYDBG-UHFFFAOYSA-N	-1	0	253.214	0.526	20	30		CCEDRM
C#CCCCC(=O)[N-]S(=O)(=O)[C@H]1CCCOC1	ZINC000759633960	581812596	/nfs/dbraw/zinc/81/25/96/581812596.db2.gz	XSGVFKVZTUJCNB-JTQLQIEISA-N	-1	0	259.327	0.415	20	30		CCEDRM
CN1C(=O)CC[C@@H]1C(=O)Nc1cc(C#N)ccc1[O-]	ZINC000771633374	581814099	/nfs/dbraw/zinc/81/40/99/581814099.db2.gz	YYWUHOFFNBWEQQ-SNVBAGLBSA-N	-1	0	259.265	0.823	20	30		CCEDRM
Cc1c(C([O-])=C(C#N)C(=O)NCc2ccccc2)nnn1C	ZINC000744027290	581830430	/nfs/dbraw/zinc/83/04/30/581830430.db2.gz	OXQMJHAGPWLQGO-LBPRGKRZSA-N	-1	0	297.318	0.762	20	30		CCEDRM
CC(C)(CCC(=O)[C@H](C#N)C(=O)NC1CC1)NC(=O)[O-]	ZINC000738738423	581831102	/nfs/dbraw/zinc/83/11/02/581831102.db2.gz	GAHVBIXNFAYACW-VIFPVBQESA-N	-1	0	281.312	0.800	20	30		CCEDRM
COCCNC(=O)C(C#N)=C([O-])c1cc(C(=O)OC)co1	ZINC000760197259	581848827	/nfs/dbraw/zinc/84/88/27/581848827.db2.gz	GHKLMZKWVGVLMV-SECBINFHSA-N	-1	0	294.263	0.151	20	30		CCEDRM
C=CCS(=O)(=O)[N-]C(=O)c1cnn2ccccc12	ZINC000772713417	581885342	/nfs/dbraw/zinc/88/53/42/581885342.db2.gz	QAQAJRXYFHZLRK-UHFFFAOYSA-N	-1	0	265.294	0.580	20	30		CCEDRM
C=CCS(=O)(=O)[N-]C(=O)c1cnc2c(c1)c(C)nn2C	ZINC000772712581	581885376	/nfs/dbraw/zinc/88/53/76/581885376.db2.gz	DCTHRDFJYZUAKQ-UHFFFAOYSA-N	-1	0	294.336	0.522	20	30		CCEDRM
CC(C)c1nccnc1N=NCc1cn(CC(=O)[O-])nn1	ZINC000773085115	581908024	/nfs/dbraw/zinc/90/80/24/581908024.db2.gz	DNYXLPQCTVTBQD-UHFFFAOYSA-N	-1	0	289.299	0.722	20	30		CCEDRM
N#Cc1ccc2c(c1)NC(=O)/C2=C\c1cn(CC(=O)[O-])nn1	ZINC000773159958	581911436	/nfs/dbraw/zinc/91/14/36/581911436.db2.gz	IXQQEQSIVMTHAE-WCIBSUBMSA-N	-1	0	295.258	0.727	20	30		CCEDRM
C=CCN(CC(=O)[O-])C(=O)c1cccc(OC)n1	ZINC000762020438	581928325	/nfs/dbraw/zinc/92/83/25/581928325.db2.gz	IKTANNAJLKTLFY-UHFFFAOYSA-N	-1	0	250.254	0.803	20	30		CCEDRM
C=CCN(CC(=O)[O-])C(=O)[C@H](C)OCCOCC	ZINC000762049174	581929666	/nfs/dbraw/zinc/92/96/66/581929666.db2.gz	AVKWUOYDQODUPZ-JTQLQIEISA-N	-1	0	259.302	0.527	20	30		CCEDRM
N#CC(C(=O)NC1CC1)=C([O-])c1cccc(-n2cccn2)n1	ZINC000737317312	581944751	/nfs/dbraw/zinc/94/47/51/581944751.db2.gz	VZGMMHCVIACNSN-NSHDSACASA-N	-1	0	295.302	0.868	20	30		CCEDRM
CN(C)c1cc(C([O-])=C(C#N)C(=O)NC2CC2)ccn1	ZINC000773980368	581950948	/nfs/dbraw/zinc/95/09/48/581950948.db2.gz	SDRCGCHQPBGSAA-LLVKDONJSA-N	-1	0	272.308	0.749	20	30		CCEDRM
CN(CC(=O)NCCC#N)[C@@H](C(=O)[O-])c1ccccc1	ZINC000737395126	581952555	/nfs/dbraw/zinc/95/25/55/581952555.db2.gz	TUFBJKGYNZXSGV-CYBMUJFWSA-N	-1	0	275.308	0.774	20	30		CCEDRM
CN(CCCC(=O)NC1(C#N)CCOCC1)C(=O)[O-]	ZINC000737421300	581955780	/nfs/dbraw/zinc/95/57/80/581955780.db2.gz	FVBCPALCMYCKOX-UHFFFAOYSA-N	-1	0	269.301	0.565	20	30		CCEDRM
CN(CCS(C)(=O)=O)[C@@H](C(=O)[O-])c1ccc(C#N)cc1	ZINC000737449177	581960091	/nfs/dbraw/zinc/96/00/91/581960091.db2.gz	NKJGDLICIOVPSM-GFCCVEGCSA-N	-1	0	296.348	0.660	20	30		CCEDRM
COC(=O)[C@H](CC(=O)[O-])NC(=O)Cc1ccc(C#N)cc1	ZINC000737567130	581981133	/nfs/dbraw/zinc/98/11/33/581981133.db2.gz	OVQYQEXWVUHBGC-NSHDSACASA-N	-1	0	290.275	0.233	20	30		CCEDRM
COc1nccnc1[N-]N=C1C(=O)Nc2cc(O)ccc21	ZINC000763413114	581998151	/nfs/dbraw/zinc/99/81/51/581998151.db2.gz	XRQRNWIQOXWIST-UHFFFAOYSA-N	-1	0	285.263	0.959	20	30		CCEDRM
COCCN(CC(=O)[O-])C(=O)c1ccc(C#N)nc1	ZINC000737775300	581999659	/nfs/dbraw/zinc/99/96/59/581999659.db2.gz	NRXHOXVBOROSHT-UHFFFAOYSA-N	-1	0	263.253	0.126	20	30		CCEDRM
N#Cc1ccccc1OCCN1CCO[C@@H](C(=O)[O-])C1	ZINC000738436126	582049680	/nfs/dbraw/zinc/04/96/80/582049680.db2.gz	ZCPGUZMQGMKSEF-CYBMUJFWSA-N	-1	0	276.292	0.722	20	30		CCEDRM
Cc1nn(C)c(C)c1CC(=O)[N-]S(=O)(=O)CCCC#N	ZINC000776116018	582052194	/nfs/dbraw/zinc/05/21/94/582052194.db2.gz	FSHBVUIZMZSXBS-UHFFFAOYSA-N	-1	0	298.368	0.329	20	30		CCEDRM
C#CCN(CC#CC)C(=O)CN(CCOC)C(=O)[O-]	ZINC000738457500	582052534	/nfs/dbraw/zinc/05/25/34/582052534.db2.gz	PLHBYJNSVPDQEW-UHFFFAOYSA-N	-1	0	266.297	0.098	20	30		CCEDRM
N#CCCCS(=O)(=O)[N-]C(=O)c1cccc2c1OCO2	ZINC000776121090	582052819	/nfs/dbraw/zinc/05/28/19/582052819.db2.gz	DKJIUXTWGOBVMU-UHFFFAOYSA-N	-1	0	296.304	0.779	20	30		CCEDRM
CCc1c(C(=O)[N-]S(=O)(=O)CCCC#N)cnn1C	ZINC000776124139	582052843	/nfs/dbraw/zinc/05/28/43/582052843.db2.gz	ZEPBLUUNWNLGOO-UHFFFAOYSA-N	-1	0	284.341	0.346	20	30		CCEDRM
C#CCNC(=O)[C@@H](C)OC(=O)CCC(C)(C)NC(=O)[O-]	ZINC000738460335	582053257	/nfs/dbraw/zinc/05/32/57/582053257.db2.gz	JNVQDQNRMVMHTK-SECBINFHSA-N	-1	0	284.312	0.494	20	30		CCEDRM
Cn1cc(C#N)cc1C(=O)[N-]S(=O)(=O)CC(C)(C)C#N	ZINC000776137638	582053335	/nfs/dbraw/zinc/05/33/35/582053335.db2.gz	SHVJJLYUFYVJAL-UHFFFAOYSA-N	-1	0	294.336	0.506	20	30		CCEDRM
CCC1(C(=O)[N-]S(=O)(=O)CC(C)(C)C#N)COC1	ZINC000776138941	582053511	/nfs/dbraw/zinc/05/35/11/582053511.db2.gz	SBGTVULLJDFEKI-UHFFFAOYSA-N	-1	0	274.342	0.409	20	30		CCEDRM
Cc1nn(C)cc1C(=O)[N-]S(=O)(=O)CC(C)(C)C#N	ZINC000776140902	582053968	/nfs/dbraw/zinc/05/39/68/582053968.db2.gz	PUPJDWGIPBVAIR-UHFFFAOYSA-N	-1	0	284.341	0.338	20	30		CCEDRM
C=CCOCC(=O)N[C@@H]1CCC[C@H]1CNC(=O)[O-]	ZINC000738492312	582055888	/nfs/dbraw/zinc/05/58/88/582055888.db2.gz	UDFYOOQXHWHIMS-VHSXEESVSA-N	-1	0	256.302	0.742	20	30		CCEDRM
CC(C)N(C)S(=O)(=O)[N-]C(=O)c1ccc(C#N)s1	ZINC000750703220	582056241	/nfs/dbraw/zinc/05/62/41/582056241.db2.gz	SFTAWWHQSIPCBB-UHFFFAOYSA-N	-1	0	287.366	0.935	20	30		CCEDRM
C[C@@H](C#N)OC(=O)c1csc(CNC(=O)[O-])n1	ZINC000738602690	582064895	/nfs/dbraw/zinc/06/48/95/582064895.db2.gz	NHARUMVPZPMNKG-YFKPBYRVSA-N	-1	0	255.255	0.980	20	30		CCEDRM
C#C[C@@H](NC(=O)c1ccc(C(=O)[O-])nc1)[C@H]1CCCO1	ZINC000776403917	582072000	/nfs/dbraw/zinc/07/20/00/582072000.db2.gz	HFQDCNSWWZRJLA-ZYHUDNBSSA-N	-1	0	274.276	0.690	20	30		CCEDRM
CC(C)[C@@H](C#N)N1CCN(C(=O)[C@@H](C)NC(=O)[O-])CC1	ZINC000738761543	582074352	/nfs/dbraw/zinc/07/43/52/582074352.db2.gz	KEZTXKSWPFBMQC-GHMZBOCLSA-N	-1	0	282.344	0.335	20	30		CCEDRM
Cc1nc(C(=O)N(CC#N)CC(=O)[O-])nn1-c1ccccc1	ZINC000738839643	582082113	/nfs/dbraw/zinc/08/21/13/582082113.db2.gz	PUEJWANQKYPCAF-UHFFFAOYSA-N	-1	0	299.290	0.626	20	30		CCEDRM
C[C@H](CCNC(=O)c1ccc(C#N)cn1)NC(=O)[O-]	ZINC000738902635	582087321	/nfs/dbraw/zinc/08/73/21/582087321.db2.gz	DFNAJPOKKARFKC-MRVPVSSYSA-N	-1	0	262.269	0.729	20	30		CCEDRM
O=C([O-])c1ccc(C=NNC2CCS(=O)(=O)CC2)cc1	ZINC000776794401	582091293	/nfs/dbraw/zinc/09/12/93/582091293.db2.gz	APIUTCGNCQPJMZ-UHFFFAOYSA-N	-1	0	296.348	0.886	20	30		CCEDRM
N#C[C@@]1(NC(=O)CCSCC(=O)[O-])CCSC1	ZINC000739066549	582100547	/nfs/dbraw/zinc/10/05/47/582100547.db2.gz	OMMLMBDOYGSQJM-JTQLQIEISA-N	-1	0	274.367	0.710	20	30		CCEDRM
N#CCCN(CCC#N)C(=O)CCSCC(=O)[O-]	ZINC000739071975	582100895	/nfs/dbraw/zinc/10/08/95/582100895.db2.gz	BRIQBJYKUFIPJF-UHFFFAOYSA-N	-1	0	269.326	0.850	20	30		CCEDRM
N#CCN(CC(=O)[O-])C(=O)c1cc(Br)c[nH]1	ZINC000739078550	582101635	/nfs/dbraw/zinc/10/16/35/582101635.db2.gz	JLIIMCKYVNSANO-UHFFFAOYSA-N	-1	0	286.085	0.828	20	30		CCEDRM
N#CCN(CC(=O)[O-])C(=O)c1ccc(Cn2cccn2)cc1	ZINC000739088608	582102145	/nfs/dbraw/zinc/10/21/45/582102145.db2.gz	XGRFCGPILMUNTA-UHFFFAOYSA-N	-1	0	298.302	0.982	20	30		CCEDRM
N#CCN(CC(=O)[O-])C(=O)c1cnn(-c2ccccc2)c1	ZINC000739088598	582102195	/nfs/dbraw/zinc/10/21/95/582102195.db2.gz	XDSCHVPDTYXBJC-UHFFFAOYSA-N	-1	0	284.275	0.923	20	30		CCEDRM
O=C([O-])Cn1cc(C=NNCc2ccc(F)c(F)c2)nn1	ZINC000768481646	582107374	/nfs/dbraw/zinc/10/73/74/582107374.db2.gz	CSRTXSWKTMOWJA-UHFFFAOYSA-N	-1	0	295.249	0.765	20	30		CCEDRM
C=C(Br)CNC(=O)[C@H](C)NC(=O)[O-]	ZINC000833368056	613238002	/nfs/dbraw/zinc/23/80/02/613238002.db2.gz	ZUJKSMDWRYLREY-YFKPBYRVSA-N	-1	0	251.080	0.667	20	30		CCEDRM
C#CCCCNC(=O)N1CCO[C@H]([C@@H](C)NC(=O)[O-])C1	ZINC000823444973	612981382	/nfs/dbraw/zinc/98/13/82/612981382.db2.gz	SANBGINFZIJAQA-MNOVXSKESA-N	-1	0	283.328	0.466	20	30		CCEDRM
CCN([C@@H](C)C(=O)[O-])S(=O)(=O)CC1(CC#N)CC1	ZINC000899564930	615077173	/nfs/dbraw/zinc/07/71/73/615077173.db2.gz	TXBXMGPQAOUGPW-VIFPVBQESA-N	-1	0	274.342	0.805	20	30		CCEDRM
N#Cc1ccc(NCCNC(=O)NCCCC(=O)[O-])nc1	ZINC000819100554	597286291	/nfs/dbraw/zinc/28/62/91/597286291.db2.gz	PIECHUVTYGSKFR-UHFFFAOYSA-N	-1	0	291.311	0.529	20	30		CCEDRM
C[C@H](NC(=O)C(=O)Nc1ccc(F)cc1C#N)C(=O)[O-]	ZINC000818017702	597323534	/nfs/dbraw/zinc/32/35/34/597323534.db2.gz	DIZQQTXGTCGPHL-LURJTMIESA-N	-1	0	279.227	0.225	20	30		CCEDRM
C[C@@H](C(=O)[O-])N(C)CC(=O)Nc1cccc(C#N)c1	ZINC000054070822	597472869	/nfs/dbraw/zinc/47/28/69/597472869.db2.gz	FAFHUDWBTLPQKQ-VIFPVBQESA-N	-1	0	261.281	0.902	20	30		CCEDRM
C[C@H](C(=O)[O-])N(C)CC(=O)NC1(C#N)CCCCC1	ZINC000817772267	597473356	/nfs/dbraw/zinc/47/33/56/597473356.db2.gz	PGKJUBMZPNDIJT-SNVBAGLBSA-N	-1	0	267.329	0.734	20	30		CCEDRM
C[C@H](NC(=O)C(=O)Nc1cccc(C#N)c1)C(=O)[O-]	ZINC000818022747	597516457	/nfs/dbraw/zinc/51/64/57/597516457.db2.gz	NUBLTNIWMYRRCY-ZETCQYMHSA-N	-1	0	261.237	0.086	20	30		CCEDRM
C[C@H](NC(=O)[C@](C)(C#N)CC(=O)[O-])[C@H]1CCCOC1	ZINC000820113888	597611457	/nfs/dbraw/zinc/61/14/57/597611457.db2.gz	HXFOIHXIZUELIF-KWBADKCTSA-N	-1	0	268.313	0.922	20	30		CCEDRM
Cn1ccc(C(=O)COC(=O)[C@](C)(C#N)CC(=O)[O-])c1	ZINC000821297689	597614871	/nfs/dbraw/zinc/61/48/71/597614871.db2.gz	FLVYMVMVWVPHIP-ZDUSSCGKSA-N	-1	0	278.264	0.756	20	30		CCEDRM
C[C@@](C#N)(CC(=O)[O-])C(=O)OCCn1ccnc1	ZINC000819875535	597618615	/nfs/dbraw/zinc/61/86/15/597618615.db2.gz	YKMLASLLKNASHL-NSHDSACASA-N	-1	0	251.242	0.431	20	30		CCEDRM
C[C@](C#N)(CC(=O)[O-])C(=O)OCC(=O)C1CCC1	ZINC000819865510	597621513	/nfs/dbraw/zinc/62/15/13/597621513.db2.gz	MDAZHSFSGHCOAK-GFCCVEGCSA-N	-1	0	253.254	0.903	20	30		CCEDRM
C[C@H](OC(=O)[C@@](C)(C#N)CC(=O)[O-])C(=O)NC1CC1	ZINC000820160903	597625121	/nfs/dbraw/zinc/62/51/21/597625121.db2.gz	KNJOCPNUGTVMIG-JVXZTZIISA-N	-1	0	268.269	0.201	20	30		CCEDRM
C[C@](C#N)(CC(=O)[O-])C(=O)NCc1nnc2n1CCCC2	ZINC000819847702	597636228	/nfs/dbraw/zinc/63/62/28/597636228.db2.gz	OEHNINBHICUHRR-CYBMUJFWSA-N	-1	0	291.311	0.235	20	30		CCEDRM
C[C@@](C#N)(CC(=O)[O-])C(=O)N[C@H]1CCc2n[nH]cc2C1	ZINC000819833311	597646779	/nfs/dbraw/zinc/64/67/79/597646779.db2.gz	FTMLOLKFEHLIKY-ZANVPECISA-N	-1	0	276.296	0.388	20	30		CCEDRM
Cc1cc(CNC(=O)[C@@](C)(C#N)CC(=O)[O-])[nH]n1	ZINC000820976871	597647474	/nfs/dbraw/zinc/64/74/74/597647474.db2.gz	UPHGMYSKLHGKBZ-LLVKDONJSA-N	-1	0	250.258	0.339	20	30		CCEDRM
C[C@H](CC[S@](C)=O)NC(=O)[C@](C)(C#N)CC(=O)[O-]	ZINC000820095706	597651455	/nfs/dbraw/zinc/65/14/55/597651455.db2.gz	MVAXFSRIEQQDJX-URUSGVHJSA-N	-1	0	274.342	0.264	20	30		CCEDRM
C[C@](C#N)(CC(=O)[O-])C(=O)NC[C@@H]1CCCC[C@H]1O	ZINC000819834849	597652763	/nfs/dbraw/zinc/65/27/63/597652763.db2.gz	PLSICBKIPAUSAO-OPQQBVKSSA-N	-1	0	268.313	0.658	20	30		CCEDRM
C[C@@](C#N)(CC(=O)[O-])C(=O)NCCc1ccc(CO)cc1	ZINC000819843161	597662691	/nfs/dbraw/zinc/66/26/91/597662691.db2.gz	YUDXXAOJWPXEBM-HNNXBMFYSA-N	-1	0	290.319	0.842	20	30		CCEDRM
C[C@H](C(=O)[O-])N(C)C(=O)[C@H](O)c1ccc(C#N)cc1	ZINC000819889145	597667498	/nfs/dbraw/zinc/66/74/98/597667498.db2.gz	LRAGALBYIPWPSG-LDYMZIIASA-N	-1	0	262.265	0.523	20	30		CCEDRM
Cc1cc(C)n(C2CN(C(=O)[C@](C)(C#N)CC(=O)[O-])C2)n1	ZINC000820972450	597667930	/nfs/dbraw/zinc/66/79/30/597667930.db2.gz	MZDQIDZCWAVUMM-AWEZNQCLSA-N	-1	0	290.323	0.888	20	30		CCEDRM
CN(C[C@H](O)C(F)(F)F)C(=O)[C@](C)(C#N)CC(=O)[O-]	ZINC000820574305	597671021	/nfs/dbraw/zinc/67/10/21/597671021.db2.gz	OLONKYDEJLPJGN-RCOVLWMOSA-N	-1	0	282.218	0.373	20	30		CCEDRM
C=C(Br)CN(CCNC(C)=O)[C@H](C)C(=O)[O-]	ZINC000819705752	597677064	/nfs/dbraw/zinc/67/70/64/597677064.db2.gz	DDCWCFAQVWJTGG-MRVPVSSYSA-N	-1	0	293.161	0.806	20	30		CCEDRM
C[C@](C#N)(CC(=O)[O-])C(=O)NCC[C@H]1CCOC1	ZINC000819835892	597816892	/nfs/dbraw/zinc/81/68/92/597816892.db2.gz	YLISYMRHPMHGJK-JOYOIKCWSA-N	-1	0	254.286	0.534	20	30		CCEDRM
C#CCNC(=O)[C@@H](C)OC(=O)c1cccc(C(=O)[O-])c1	ZINC000819701079	598144812	/nfs/dbraw/zinc/14/48/12/598144812.db2.gz	ZYLVEGDSFBDNHI-SECBINFHSA-N	-1	0	275.260	0.680	20	30		CCEDRM
N#CCc1ccccc1CC(=O)N1CCO[C@H](C(=O)[O-])C1	ZINC000821324884	598197961	/nfs/dbraw/zinc/19/79/61/598197961.db2.gz	VYDFQOSJZCDCKM-ZDUSSCGKSA-N	-1	0	288.303	0.607	20	30		CCEDRM
C[C@](C#N)(CC(=O)[O-])C(=O)Nc1cccc(C(N)=O)c1	ZINC000819855350	598222383	/nfs/dbraw/zinc/22/23/83/598222383.db2.gz	BDTAUHFKSMWDQO-CYBMUJFWSA-N	-1	0	275.264	0.729	20	30		CCEDRM
C#CCO[C@@H](C)C(=O)N[C@@](C)(CC(=O)[O-])C1CC1	ZINC000910320465	612997193	/nfs/dbraw/zinc/99/71/93/612997193.db2.gz	ZEZSYESTVMJOKA-ZANVPECISA-N	-1	0	253.298	0.784	20	30		CCEDRM
C#CCO[C@H](C)C(=O)N[C@H](C[C@@H]1CCCO1)C(=O)[O-]	ZINC000910590747	613003353	/nfs/dbraw/zinc/00/33/53/613003353.db2.gz	IYELKSGSNZLHEA-OUAUKWLOSA-N	-1	0	269.297	0.163	20	30		CCEDRM
Cc1nnc(N2CCO[C@@H](C(=O)[O-])C2)c(C#N)c1C	ZINC000123156185	599959158	/nfs/dbraw/zinc/95/91/58/599959158.db2.gz	NHBIJKBPCOGXQM-SNVBAGLBSA-N	-1	0	262.269	0.255	20	30		CCEDRM
N#C[C@@H]1CN(S(=O)(=O)c2ccccc2C(=O)[O-])CCO1	ZINC000093932744	599981007	/nfs/dbraw/zinc/98/10/07/599981007.db2.gz	PHODSKIYPWBWTO-SECBINFHSA-N	-1	0	296.304	0.298	20	30		CCEDRM
C#CCNC(=O)N[C@H]1CCCC[C@H]1CNC(=O)[O-]	ZINC000823455951	612947380	/nfs/dbraw/zinc/94/73/80/612947380.db2.gz	IDYPQVPXEPZKGV-UWVGGRQHSA-N	-1	0	253.302	0.745	20	30		CCEDRM
N#C[C@@H]1CN(C(=O)[C@H]2CCC[C@@H](C(=O)[O-])C2)CCO1	ZINC000093937579	600935859	/nfs/dbraw/zinc/93/58/59/600935859.db2.gz	IAROISOEQUDDTE-HBNTYKKESA-N	-1	0	266.297	0.628	20	30		CCEDRM
N#CCN(CC(=O)[O-])C[C@H]1CN(c2ccccc2)C(=O)O1	ZINC000833067620	601003729	/nfs/dbraw/zinc/00/37/29/601003729.db2.gz	WOTNJELIXOTRFA-LBPRGKRZSA-N	-1	0	289.291	0.922	20	30		CCEDRM
C[C@@H]1CCCCN1C(=O)CN(CC#N)CC(=O)[O-]	ZINC000828251318	601226466	/nfs/dbraw/zinc/22/64/66/601226466.db2.gz	GSMRQHWRUQLGGV-SNVBAGLBSA-N	-1	0	253.302	0.298	20	30		CCEDRM
N#CCN(CC(=O)[O-])C[C@@H](O)c1ccc(F)cc1	ZINC000833067090	601226950	/nfs/dbraw/zinc/22/69/50/601226950.db2.gz	OUYUFYBBRMSHTN-LLVKDONJSA-N	-1	0	252.245	0.769	20	30		CCEDRM
Cc1cccc(OC[C@@H](O)CN(CC#N)CC(=O)[O-])c1	ZINC000832972076	601242385	/nfs/dbraw/zinc/24/23/85/601242385.db2.gz	IJOVKEGIBQDDNT-LBPRGKRZSA-N	-1	0	278.308	0.645	20	30		CCEDRM
N#CCN(CC(=O)[O-])CC(=O)Nc1ccc(O)cc1	ZINC000833067541	601242398	/nfs/dbraw/zinc/24/23/98/601242398.db2.gz	VFRXDKKICWVCEQ-UHFFFAOYSA-N	-1	0	263.253	0.241	20	30		CCEDRM
N#CCN1CCN(C(=O)c2ccnc(C(=O)[O-])c2)CC1	ZINC000833066782	601289063	/nfs/dbraw/zinc/28/90/63/601289063.db2.gz	HRVHDHTZYQKMOA-UHFFFAOYSA-N	-1	0	274.280	0.061	20	30		CCEDRM
CCN(CCC#N)CC(=O)Nc1nc(CC(=O)[O-])cs1	ZINC000829697153	601376552	/nfs/dbraw/zinc/37/65/52/601376552.db2.gz	AYKJEYGMUNFVKW-UHFFFAOYSA-N	-1	0	296.352	0.944	20	30		CCEDRM
N#Cc1cc([N+](=O)[O-])cnc1N1CC[C@](F)(C(=O)[O-])C1	ZINC000833070380	601379377	/nfs/dbraw/zinc/37/93/77/601379377.db2.gz	BVABFMPIJRHFFE-LLVKDONJSA-N	-1	0	280.215	0.864	20	30		CCEDRM
N#CCNC(=O)CNc1cc(C(=O)[O-])ccc1F	ZINC000833067730	601390640	/nfs/dbraw/zinc/39/06/40/601390640.db2.gz	ZJXLRPKDMIMJMT-UHFFFAOYSA-N	-1	0	251.217	0.576	20	30		CCEDRM
N#CCNC(=O)CNc1ccc(CCC(=O)[O-])cc1	ZINC000833067728	601391543	/nfs/dbraw/zinc/39/15/43/601391543.db2.gz	ZGYWUYGRWRDDQQ-UHFFFAOYSA-N	-1	0	261.281	0.755	20	30		CCEDRM
C[C@@](C#N)(NC(=O)CN(CC(=O)[O-])C1CC1)C1CC1	ZINC000825967406	601461770	/nfs/dbraw/zinc/46/17/70/601461770.db2.gz	WDKGAFIOQYOWII-ZDUSSCGKSA-N	-1	0	265.313	0.344	20	30		CCEDRM
N#Cc1ccccc1/C=C/C(=O)N1CCOC[C@H]1C(=O)[O-]	ZINC000833075920	601609747	/nfs/dbraw/zinc/60/97/47/601609747.db2.gz	YWPMANZZWOYOHP-GFUIURDCSA-N	-1	0	286.287	0.883	20	30		CCEDRM
COC[C@@](C)(NC(=O)c1ccc(C#N)cn1)C(=O)[O-]	ZINC000328515445	601696184	/nfs/dbraw/zinc/69/61/84/601696184.db2.gz	DOLOXZOSPFTCEE-GFCCVEGCSA-N	-1	0	263.253	0.173	20	30		CCEDRM
COC[C@](C)(NC(=O)c1ccc(C#N)cn1)C(=O)[O-]	ZINC000328515446	601696209	/nfs/dbraw/zinc/69/62/09/601696209.db2.gz	DOLOXZOSPFTCEE-LBPRGKRZSA-N	-1	0	263.253	0.173	20	30		CCEDRM
N#Cc1ccccc1/C=C\C(=O)N[C@]1(C(=O)[O-])CCOC1	ZINC000833075293	601725630	/nfs/dbraw/zinc/72/56/30/601725630.db2.gz	PTQMIKBJPFZXEU-IYKSTZQJSA-N	-1	0	286.287	0.931	20	30		CCEDRM
C#CCSCCNC(=O)N1CCO[C@@H](CC(=O)[O-])C1	ZINC000231959165	601777014	/nfs/dbraw/zinc/77/70/14/601777014.db2.gz	FNHSPOOSTDHZMK-JTQLQIEISA-N	-1	0	286.353	0.238	20	30		CCEDRM
CC(C)[C@](C)(C#N)NC(=O)[C@H](C)OC(=O)CN(C)C(=O)[O-]	ZINC000739040594	602206524	/nfs/dbraw/zinc/20/65/24/602206524.db2.gz	CRQRVEQVAAGGFB-ZANVPECISA-N	-1	0	299.327	0.582	20	30		CCEDRM
C=C(C)COCCNC(=O)NCC(C)(C)C(=O)[O-]	ZINC000164165564	602347462	/nfs/dbraw/zinc/34/74/62/602347462.db2.gz	SDUOPWGKWMJBTR-UHFFFAOYSA-N	-1	0	258.318	0.989	20	30		CCEDRM
C[C@@H](CC#N)NC(=O)CN(C[C@@H]1CCCO1)C(=O)[O-]	ZINC000738895643	602870113	/nfs/dbraw/zinc/87/01/13/602870113.db2.gz	XYDPDQRFVQKVLT-UWVGGRQHSA-N	-1	0	269.301	0.564	20	30		CCEDRM
C[C@H](CC(=O)N1CCN(C2CC2)[C@H](C#N)C1)NC(=O)[O-]	ZINC000824592158	602918827	/nfs/dbraw/zinc/91/88/27/602918827.db2.gz	SQUAIMVQZXROHR-MWLCHTKSSA-N	-1	0	280.328	0.231	20	30		CCEDRM
N#Cc1ccc(S(=O)(=O)NC2CN(C(=O)[O-])C2)c(F)c1	ZINC000831142388	603119202	/nfs/dbraw/zinc/11/92/02/603119202.db2.gz	XFRHENCMRBQWTP-UHFFFAOYSA-N	-1	0	299.283	0.338	20	30		CCEDRM
C[C@@H]1CN(S(=O)(=O)CCCC#N)CCN1C(=O)[O-]	ZINC000826069146	603121706	/nfs/dbraw/zinc/12/17/06/603121706.db2.gz	TWHSBJWHAJVZPT-SECBINFHSA-N	-1	0	275.330	0.304	20	30		CCEDRM
N#C[C@]1(NC(=O)[C@H]2CC[C@H](NC(=O)[O-])C2)CCSC1	ZINC000831071181	603476540	/nfs/dbraw/zinc/47/65/40/603476540.db2.gz	ZUBHUMHGXUJYQO-HOTUBEGUSA-N	-1	0	283.353	0.938	20	30		CCEDRM
N#C[C@@H](OC(=O)[C@@]1(F)CCN(C(=O)[O-])C1)C1CC1	ZINC000831070018	603498128	/nfs/dbraw/zinc/49/81/28/603498128.db2.gz	CAUVABDQBWQYBJ-LDYMZIIASA-N	-1	0	256.233	0.924	20	30		CCEDRM
N#Cc1cnn(C(=O)C[C@H]2CCCN2C(=O)[O-])c1N	ZINC000831161599	603520131	/nfs/dbraw/zinc/52/01/31/603520131.db2.gz	GCAPKGCMQYPLAQ-MRVPVSSYSA-N	-1	0	263.257	0.510	20	30		CCEDRM
N#CCCN(CC(F)(F)F)C(=O)CCNC(=O)[O-]	ZINC000831097600	603550326	/nfs/dbraw/zinc/55/03/26/603550326.db2.gz	MEGVTGACDHEXFJ-UHFFFAOYSA-N	-1	0	267.207	0.949	20	30		CCEDRM
N#C[C@@H]1CN(C(=O)[O-])CCN1C(=O)CCc1cscn1	ZINC000831082550	603596758	/nfs/dbraw/zinc/59/67/58/603596758.db2.gz	NQXRAXDTOLFDLV-SNVBAGLBSA-N	-1	0	294.336	0.790	20	30		CCEDRM
Cn1cc(C#N)cc1C(=O)OCCCNC(=O)[O-]	ZINC000830989508	603674932	/nfs/dbraw/zinc/67/49/32/603674932.db2.gz	PHWNSGJQCIDFEQ-UHFFFAOYSA-N	-1	0	251.242	0.711	20	30		CCEDRM
C#CCNC(=O)[C@@H](C)ON=C(N)[C@H](CC(C)C)NC(=O)[O-]	ZINC000823455486	603779373	/nfs/dbraw/zinc/77/93/73/603779373.db2.gz	CVLKTWNEZOLRGR-ZJUUUORDSA-N	-1	0	298.343	0.305	20	30		CCEDRM
N#CCN(C(=O)[C@H]1CC[C@@H](NC(=O)[O-])C1)C1CC1	ZINC000831097246	603957830	/nfs/dbraw/zinc/95/78/30/603957830.db2.gz	GGVVVRIUHOUYFK-DTWKUNHWSA-N	-1	0	251.286	0.937	20	30		CCEDRM
N#C[C@H]1CN(C(=O)[O-])CCN1C(=O)CC[C@H]1CCOC1	ZINC000831082691	604071525	/nfs/dbraw/zinc/07/15/25/604071525.db2.gz	OPGZLGDGGOIORF-QWRGUYRKSA-N	-1	0	281.312	0.517	20	30		CCEDRM
N#C[C@H]1CN(C(=O)[O-])CCN1C(=O)[C@H]1[C@@H]2CCC[C@@H]21	ZINC000831077042	604083163	/nfs/dbraw/zinc/08/31/63/604083163.db2.gz	VWLIFZCYQBXISA-UKKRHICBSA-N	-1	0	263.297	0.747	20	30		CCEDRM
N#C[C@@H]1CN(C(=O)[O-])CCN1C(=O)CCOCC1CC1	ZINC000831082067	604084112	/nfs/dbraw/zinc/08/41/12/604084112.db2.gz	HJNFPPNEKKWKOQ-LLVKDONJSA-N	-1	0	281.312	0.517	20	30		CCEDRM
N#C[C@H]1CN(C(=O)[O-])CCN1C(=O)CCc1ccoc1	ZINC000831083092	604088696	/nfs/dbraw/zinc/08/86/96/604088696.db2.gz	VYNJVPWVSUFMHB-NSHDSACASA-N	-1	0	277.280	0.927	20	30		CCEDRM
N#C[C@@H]1CN(C(=O)N[C@@H]2CCC[C@@H]2CNC(=O)[O-])CCO1	ZINC000831075493	604184142	/nfs/dbraw/zinc/18/41/42/604184142.db2.gz	AEEJVEXEVVESAE-GMTAPVOTSA-N	-1	0	296.327	0.357	20	30		CCEDRM
N#Cc1ncn(CC(=O)Nc2cc(C(=O)[O-])ccc2F)n1	ZINC000833078602	604272940	/nfs/dbraw/zinc/27/29/40/604272940.db2.gz	LVSXKTWQRMNCCA-UHFFFAOYSA-N	-1	0	289.226	0.626	20	30		CCEDRM
C#CC1(O)CCN(S(=O)(=O)c2cc([O-])cc(F)c2)CC1	ZINC000917914767	612952825	/nfs/dbraw/zinc/95/28/25/612952825.db2.gz	YINUJPXKGVAYRV-UHFFFAOYSA-N	-1	0	299.323	0.680	20	30		CCEDRM
N#CCc1ccnc(NC(=O)[C@@H]2C[C@H](O)CN2C(=O)[O-])c1	ZINC000831109435	604554835	/nfs/dbraw/zinc/55/48/35/604554835.db2.gz	JDZULTJLBOAYMA-UWVGGRQHSA-N	-1	0	290.279	0.199	20	30		CCEDRM
C[C@H](NC(=O)[O-])[C@H]1CN(C[C@@H](C#N)CCC#N)CCO1	ZINC000825351867	604636621	/nfs/dbraw/zinc/63/66/21/604636621.db2.gz	QDYIZHUPFSQGOG-QJPTWQEYSA-N	-1	0	280.328	0.787	20	30		CCEDRM
C=CCCOCCNS(=O)(=O)C[C@@H](C)C(=O)[O-]	ZINC000833374960	604637240	/nfs/dbraw/zinc/63/72/40/604637240.db2.gz	PHBRPXSPINTMNM-SECBINFHSA-N	-1	0	265.331	0.219	20	30		CCEDRM
N#CC1(C(=O)OCCc2cn(CC(=O)[O-])nn2)CCC1	ZINC000833064988	604701280	/nfs/dbraw/zinc/70/12/80/604701280.db2.gz	PRZQLQCAFWQUNU-UHFFFAOYSA-N	-1	0	278.268	0.142	20	30		CCEDRM
C[C@H](NC(=O)[O-])[C@@H]1CN(C(=O)C2(C#N)CCCC2)CCO1	ZINC000825296110	604714112	/nfs/dbraw/zinc/71/41/12/604714112.db2.gz	ZEYTUMBBTWARSJ-QWRGUYRKSA-N	-1	0	295.339	0.954	20	30		CCEDRM
N#CCCN(CC1CC1)C(=O)C[C@@H]1CN(C(=O)[O-])CCO1	ZINC000831097376	604833179	/nfs/dbraw/zinc/83/31/79/604833179.db2.gz	IGSHIYUQQPZWER-GFCCVEGCSA-N	-1	0	295.339	0.908	20	30		CCEDRM
N#C[C@@H](NC(=O)C[C@@H]1CN(C(=O)[O-])CCO1)C1CC1	ZINC000831070917	604862298	/nfs/dbraw/zinc/86/22/98/604862298.db2.gz	UYACEDNLWKGRAJ-NXEZZACHSA-N	-1	0	267.285	0.174	20	30		CCEDRM
C#CC[C@@H]([N-]S(=O)(=O)C[C@H](OC)C(C)C)C(=O)OC	ZINC000827683488	613043055	/nfs/dbraw/zinc/04/30/55/613043055.db2.gz	INJJISUKIZZLEO-MNOVXSKESA-N	-1	0	291.369	0.142	20	30		CCEDRM
N#Cc1cc(COC(=O)[C@@H]2CN(C(=O)[O-])CCO2)ccn1	ZINC000831113841	605087505	/nfs/dbraw/zinc/08/75/05/605087505.db2.gz	GFOFAAYUBGJJJM-NSHDSACASA-N	-1	0	291.263	0.375	20	30		CCEDRM
N#CCCN(CC1CC1)CN1C[C@H](C(=O)[O-])CC1=O	ZINC000833760138	605173516	/nfs/dbraw/zinc/17/35/16/605173516.db2.gz	GRWJXVOZEHGIQW-LLVKDONJSA-N	-1	0	265.313	0.503	20	30		CCEDRM
N#Cc1ccc(C(=O)Cn2nnnc2CNC(=O)[O-])cc1	ZINC000831123000	605178653	/nfs/dbraw/zinc/17/86/53/605178653.db2.gz	YSJRXSHFAYDPIC-UHFFFAOYSA-N	-1	0	286.251	0.195	20	30		CCEDRM
N#Cc1ccccc1OCCn1nnnc1CNC(=O)[O-]	ZINC000831156682	605180377	/nfs/dbraw/zinc/18/03/77/605180377.db2.gz	GUYYZTPTICNUII-UHFFFAOYSA-N	-1	0	288.267	0.391	20	30		CCEDRM
CC(C)n1cnc(S(=O)(=O)N(CC#N)CC(=O)[O-])c1	ZINC000833513819	605203779	/nfs/dbraw/zinc/20/37/79/605203779.db2.gz	UMJVXVQEAJLAPG-UHFFFAOYSA-N	-1	0	286.313	0.063	20	30		CCEDRM
C=C(Br)CNC(=O)c1cnc(C(=O)[O-])cn1	ZINC000390216712	605562807	/nfs/dbraw/zinc/56/28/07/605562807.db2.gz	XLFYJLMSFSVMSR-UHFFFAOYSA-N	-1	0	286.085	0.813	20	30		CCEDRM
N#CCOc1cccc(CC(=O)NCCCNC(=O)[O-])c1	ZINC000833967724	605579350	/nfs/dbraw/zinc/57/93/50/605579350.db2.gz	TXRWOPRJKXFRQH-UHFFFAOYSA-N	-1	0	291.307	0.905	20	30		CCEDRM
CC(=NNc1ccncc1)c1cn(CC(=O)[O-])nn1	ZINC000833387229	605584572	/nfs/dbraw/zinc/58/45/72/605584572.db2.gz	WDNUHWFKIDUEPO-UHFFFAOYSA-N	-1	0	260.257	0.016	20	30		CCEDRM
N#CCN1CCC(OC(=O)C2CN(C(=O)[O-])C2)CC1	ZINC000833967535	605593613	/nfs/dbraw/zinc/59/36/13/605593613.db2.gz	RVRMMJOSTUVOOK-UHFFFAOYSA-N	-1	0	267.285	0.127	20	30		CCEDRM
Cn1cc(CCCN[C@H]2CN(C(=O)[O-])C[C@H]2C#N)cn1	ZINC000833946604	605684306	/nfs/dbraw/zinc/68/43/06/605684306.db2.gz	IVYKMZCTBNNESQ-NEPJUHHUSA-N	-1	0	277.328	0.444	20	30		CCEDRM
Cn1cc(C#N)c(NC(=O)NCC2CN(C(=O)[O-])C2)n1	ZINC000833946380	605764820	/nfs/dbraw/zinc/76/48/20/605764820.db2.gz	YNTZUKOLINZAQP-UHFFFAOYSA-N	-1	0	278.272	0.023	20	30		CCEDRM
N#Cc1ccc([C@H](O)C(=O)N2CC[C@@H](NC(=O)[O-])C2)cc1	ZINC000833972384	605847574	/nfs/dbraw/zinc/84/75/74/605847574.db2.gz	COOVQHCCSGMACO-NEPJUHHUSA-N	-1	0	289.291	0.460	20	30		CCEDRM
N#C[C@@H]1CSCCN1C(=O)CCCNC(=O)[O-]	ZINC000833966752	605978663	/nfs/dbraw/zinc/97/86/63/605978663.db2.gz	NIMFOIQNTVAERC-MRVPVSSYSA-N	-1	0	257.315	0.502	20	30		CCEDRM
Cn1cc(C#N)c(NC(=O)c2cnc(NC(=O)[O-])cn2)n1	ZINC000833945390	606028641	/nfs/dbraw/zinc/02/86/41/606028641.db2.gz	QAAHHWGWCZXXTN-UHFFFAOYSA-N	-1	0	287.239	0.424	20	30		CCEDRM
N#C[C@@H]1CN(C(=O)[O-])CCN1C(=O)[C@@H]1CCCCS1	ZINC000833967483	606032087	/nfs/dbraw/zinc/03/20/87/606032087.db2.gz	RFSHKKUWELDJNN-ZJUUUORDSA-N	-1	0	283.353	0.986	20	30		CCEDRM
N#C[C@H]1CN(C(=O)[C@@H](CC(F)F)NC(=O)[O-])CCO1	ZINC000833968891	606040175	/nfs/dbraw/zinc/04/01/75/606040175.db2.gz	YNWLKLCPHIXFAH-NKWVEPMBSA-N	-1	0	277.227	0.029	20	30		CCEDRM
N#CC1(NC(=O)COCCNC(=O)[O-])CCSCC1	ZINC000833963892	606073127	/nfs/dbraw/zinc/07/31/27/606073127.db2.gz	VUGUWHRTXHCXED-UHFFFAOYSA-N	-1	0	287.341	0.176	20	30		CCEDRM
N#C[C@H]1CSCCN1C(=O)CCOC1CN(C(=O)[O-])C1	ZINC000833967438	606101269	/nfs/dbraw/zinc/10/12/69/606101269.db2.gz	RARXWWJDGFWTCX-VIFPVBQESA-N	-1	0	299.352	0.223	20	30		CCEDRM
Cc1[nH]ccc1C(=O)Nc1nc(C#N)c(-c2nn[nH]n2)[n-]1	ZINC000822010302	606128413	/nfs/dbraw/zinc/12/84/13/606128413.db2.gz	XATRJBARCXQVEB-UHFFFAOYSA-N	-1	0	283.255	0.350	20	30		CCEDRM
N#C[C@@H]1CCC[C@H]1Nc1nccnc1-c1nnn[n-]1	ZINC000822806383	606242310	/nfs/dbraw/zinc/24/23/10/606242310.db2.gz	MDDSZKINYZDIBJ-JGVFFNPUSA-N	-1	0	256.273	0.761	20	30		CCEDRM
C#CCCS(=O)(=O)[N-]C(=O)[C@H]1CCC[C@@H](OC)C1	ZINC000816056046	613053341	/nfs/dbraw/zinc/05/33/41/613053341.db2.gz	BTTFFAAKNGNFJN-WDEREUQCSA-N	-1	0	273.354	0.661	20	30		CCEDRM
C#CC[C@H](NC(=O)C[C@@H](O)c1cccc(F)c1)C(=O)[O-]	ZINC000910054000	613068139	/nfs/dbraw/zinc/06/81/39/613068139.db2.gz	HBGZFYYSFJMHHE-NWDGAFQWSA-N	-1	0	279.267	0.842	20	30		CCEDRM
C#CCN(C)C(=O)C(=O)N1CCC[C@](CC)(C(=O)[O-])C1	ZINC000926411316	613071008	/nfs/dbraw/zinc/07/10/08/613071008.db2.gz	YZQMOPAPBXRUSB-AWEZNQCLSA-N	-1	0	280.324	0.181	20	30		CCEDRM
C#CC[C@H](NC(=O)c1ocnc1C(F)(F)F)C(=O)[O-]	ZINC000910049284	613070880	/nfs/dbraw/zinc/07/08/80/613070880.db2.gz	VACCQIXDDZQQHJ-YFKPBYRVSA-N	-1	0	276.170	0.900	20	30		CCEDRM
N#Cc1c(-c2nnn[n-]2)nc(N)n1CCc1cccnc1	ZINC000826382506	609174806	/nfs/dbraw/zinc/17/48/06/609174806.db2.gz	HSLLJKBZMCIHMK-UHFFFAOYSA-N	-1	0	281.283	0.155	20	30		CCEDRM
C#CCN(CC(=O)[O-])S(=O)(=O)N1CCC(CC)CC1	ZINC000849219558	613103478	/nfs/dbraw/zinc/10/34/78/613103478.db2.gz	QAYPZNVAABURLU-UHFFFAOYSA-N	-1	0	288.369	0.373	20	30		CCEDRM
Cc1ccnc(-n2cnc(-c3nnn[n-]3)n2)c1C#N	ZINC000826308497	609524695	/nfs/dbraw/zinc/52/46/95/609524695.db2.gz	BZCNYACKJCRIGM-UHFFFAOYSA-N	-1	0	253.229	0.023	20	30		CCEDRM
C=C(Cl)C[C@H](NC(=O)N[C@@H]1COC[C@H]1C)C(=O)[O-]	ZINC000905608614	613390730	/nfs/dbraw/zinc/39/07/30/613390730.db2.gz	QSZBZRSWEXVZMI-BWVDBABLSA-N	-1	0	276.720	0.916	20	30		CCEDRM
C#CCC1(NC(=O)CSc2n[nH]c(=O)[n-]2)CCC1	ZINC000886796040	612968861	/nfs/dbraw/zinc/96/88/61/612968861.db2.gz	NLMOPMQQRNMZFE-UHFFFAOYSA-N	-1	0	266.326	0.665	20	30		CCEDRM
CC(C)(C)[S@@](C)(=O)=NS(=O)(=O)[N-]CC#N	ZINC000906061227	614044697	/nfs/dbraw/zinc/04/46/97/614044697.db2.gz	OZIFOXCHXGVQAE-CQSZACIVSA-N	-1	0	253.349	0.241	20	30		CCEDRM
CC(C)CCS(=O)(=O)N1CCN(C(=O)[O-])C[C@@H]1C#N	ZINC000824245484	614057442	/nfs/dbraw/zinc/05/74/42/614057442.db2.gz	SSZVRHSYOWTLEN-JTQLQIEISA-N	-1	0	289.357	0.550	20	30		CCEDRM
CC(C)[C@@H](C#N)NC(=O)[C@]1(F)CCN(C(=O)[O-])C1	ZINC000824058402	614072149	/nfs/dbraw/zinc/07/21/49/614072149.db2.gz	ZXNYONJFOKAFGJ-KCJUWKMLSA-N	-1	0	257.265	0.743	20	30		CCEDRM
CC(C)(O)CO[N-]C(=O)C1(C#N)CCSCC1	ZINC000935689310	614195111	/nfs/dbraw/zinc/19/51/11/614195111.db2.gz	LBIPNUKNYOXXBT-UHFFFAOYSA-N	-1	0	258.343	0.842	20	30		CCEDRM
C#CCCCCCC(=O)Nc1n[nH]c(CC(=O)[O-])n1	ZINC000833362091	612976366	/nfs/dbraw/zinc/97/63/66/612976366.db2.gz	YXISXJJQBZSLGI-UHFFFAOYSA-N	-1	0	264.285	0.954	20	30		CCEDRM
COc1ccc(C(=O)[N-]S(=O)(=O)CC2(C#N)CC2)cn1	ZINC000793211737	617231091	/nfs/dbraw/zinc/23/10/91/617231091.db2.gz	DYFZTJRVNCAQDZ-UHFFFAOYSA-N	-1	0	295.320	0.454	20	30		CCEDRM
COc1ccc(C(=O)[N-]S(=O)(=O)CCC#N)cc1OC	ZINC000821583690	617230999	/nfs/dbraw/zinc/23/09/99/617230999.db2.gz	DGFKMZPMPFSMET-UHFFFAOYSA-N	-1	0	298.320	0.677	20	30		CCEDRM
COc1ccc(C=Nn2c(=O)[n-][nH]c2=O)c(OC)c1OC	ZINC000814231925	617238513	/nfs/dbraw/zinc/23/85/13/617238513.db2.gz	IKSFEPVUDKMQEV-UHFFFAOYSA-N	-1	0	294.267	0.597	20	30		CCEDRM
COc1ccc(C(=O)[O-])cc1C=NNC1=NC[C@@H](C)N1	ZINC000901216116	617235426	/nfs/dbraw/zinc/23/54/26/617235426.db2.gz	OSYWRRWNVBTMSD-MRVPVSSYSA-N	-1	0	276.296	0.665	20	30		CCEDRM
CSC[C@@H](C)C(=O)N1CCN(C(=O)[O-])C[C@@H]1C#N	ZINC000829716638	617247756	/nfs/dbraw/zinc/24/77/56/617247756.db2.gz	LSCAICGFOOWEQX-BDAKNGLRSA-N	-1	0	271.342	0.700	20	30		CCEDRM
CSC[C@H](NC(=O)COc1ccc(C#N)cc1)C(=O)[O-]	ZINC000910886864	617254402	/nfs/dbraw/zinc/25/44/02/617254402.db2.gz	BTXCFTYDNNWZRK-NSHDSACASA-N	-1	0	294.332	0.869	20	30		CCEDRM
COc1ccc(F)c(C(=O)N[C@H]2CCN(O)C2=O)c1OC	ZINC000820174903	617264045	/nfs/dbraw/zinc/26/40/45/617264045.db2.gz	ODMYIUNSIQTHNZ-QMMMGPOBSA-N	-1	0	298.270	0.563	20	30		CCEDRM
CS[C@@H](C)C(=O)[N-]S(=O)(=O)c1cncc(C#N)c1	ZINC000813983147	617265218	/nfs/dbraw/zinc/26/52/18/617265218.db2.gz	JTBLAPXQAHTZBN-ZETCQYMHSA-N	-1	0	285.350	0.510	20	30		CCEDRM
C#CCCCC(=O)N1CCSC[C@H]1c1nnn[n-]1	ZINC000907480911	612974650	/nfs/dbraw/zinc/97/46/50/612974650.db2.gz	XEFWLLNLNRDSHI-VIFPVBQESA-N	-1	0	265.342	0.620	20	30		CCEDRM
C#CCCCCNC(=O)C(=O)N1CC[C@@H](C(=O)[O-])[C@@H](C)C1	ZINC000861715164	612977189	/nfs/dbraw/zinc/97/71/89/612977189.db2.gz	JSCJHBOLAQOQSL-NWDGAFQWSA-N	-1	0	294.351	0.475	20	30		CCEDRM
C#CCOCCC(=O)N(C)c1nc(CC(=O)[O-])cs1	ZINC000833363989	612977485	/nfs/dbraw/zinc/97/74/85/612977485.db2.gz	HADPABHMXYSBFH-UHFFFAOYSA-N	-1	0	282.321	0.773	20	30		CCEDRM
C#CCOCCC(=O)[N-]S(=O)(=O)c1ccc(F)cn1	ZINC000836041833	612980119	/nfs/dbraw/zinc/98/01/19/612980119.db2.gz	LHISOMHLKSVYPT-UHFFFAOYSA-N	-1	0	286.284	0.066	20	30		CCEDRM
C#CCOCCC(=O)[N-]S(=O)(=O)[C@H]1COC(C)(C)C1	ZINC000861141381	612980212	/nfs/dbraw/zinc/98/02/12/612980212.db2.gz	ZNMPLKSVVZOHEC-SNVBAGLBSA-N	-1	0	289.353	0.040	20	30		CCEDRM
C#CCCCNC(=O)CC1(C(=O)[O-])CCOCC1	ZINC000911401390	612980993	/nfs/dbraw/zinc/98/09/93/612980993.db2.gz	IIBZMDWLYLXOBE-UHFFFAOYSA-N	-1	0	253.298	0.788	20	30		CCEDRM
C#CCCCNC(=O)N[C@H](C(=O)[O-])[C@H]1CCCOC1	ZINC000909027473	612982291	/nfs/dbraw/zinc/98/22/91/612982291.db2.gz	KXTJPHPKDSTTTA-QWRGUYRKSA-N	-1	0	268.313	0.579	20	30		CCEDRM
C#CCO[N-]C(=O)CN1C(=O)CSc2ccccc21	ZINC000812783292	612992005	/nfs/dbraw/zinc/99/20/05/612992005.db2.gz	IEFYDVDEJFBELL-UHFFFAOYSA-N	-1	0	276.317	0.806	20	30		CCEDRM
C#CCO[N-]C(=O)Cn1c2ccccc2n(CC)c1=O	ZINC000812785563	612992317	/nfs/dbraw/zinc/99/23/17/612992317.db2.gz	WRPJPCYTRZZGGY-UHFFFAOYSA-N	-1	0	273.292	0.504	20	30		CCEDRM
C#CCO[N-]C(=O)[C@@H]1CN(C)C(=O)c2ccccc21	ZINC000812784439	612992771	/nfs/dbraw/zinc/99/27/71/612992771.db2.gz	OBBFATHCPRTOBJ-GFCCVEGCSA-N	-1	0	258.277	0.537	20	30		CCEDRM
C#CCO[N-]C(=O)[C@](C)(C#N)CC(=O)OC(C)(C)C	ZINC000812784262	612993201	/nfs/dbraw/zinc/99/32/01/612993201.db2.gz	FHERFBDKVKSRDR-ZDUSSCGKSA-N	-1	0	266.297	0.929	20	30		CCEDRM
C#CCO[N-]C(=O)c1ccc(=O)n(-c2ccccc2)n1	ZINC000812783415	612993314	/nfs/dbraw/zinc/99/33/14/612993314.db2.gz	OFHCIULXGXBINV-UHFFFAOYSA-N	-1	0	269.260	0.527	20	30		CCEDRM
C#CCO[C@@H](C)C(=O)N(CCC(=O)[O-])C[C@@H]1CCCO1	ZINC000908988283	612994088	/nfs/dbraw/zinc/99/40/88/612994088.db2.gz	OBCLNQYJGGYDNI-RYUDHWBXSA-N	-1	0	283.324	0.507	20	30		CCEDRM
C#CCO[C@@H](C)C(=O)[N-]S(=O)(=O)C1(C(F)F)CC1	ZINC000861160746	612996812	/nfs/dbraw/zinc/99/68/12/612996812.db2.gz	RVTCYRJTABWTLB-ZETCQYMHSA-N	-1	0	281.280	0.268	20	30		CCEDRM
C#CCO[C@@H](C)C(=O)N[C@H](CC(=C)Cl)C(=O)[O-]	ZINC000910269474	612997353	/nfs/dbraw/zinc/99/73/53/612997353.db2.gz	BQJBMRGSVIRTKX-DTWKUNHWSA-N	-1	0	259.689	0.737	20	30		CCEDRM
C#CCO[C@H](C)C(=O)N(CCC(=O)[O-])Cc1ccncc1	ZINC000911525191	612998872	/nfs/dbraw/zinc/99/88/72/612998872.db2.gz	PYZMZDHICLQVRR-GFCCVEGCSA-N	-1	0	290.319	0.923	20	30		CCEDRM
C#CCO[C@H](C)C(=O)N1CCSC[C@H]1CC(=O)[O-]	ZINC000909011025	613000200	/nfs/dbraw/zinc/00/02/00/613000200.db2.gz	MQXJFHIPVSFLOE-NXEZZACHSA-N	-1	0	271.338	0.443	20	30		CCEDRM
C#CCO[C@H](C)C(=O)[N-]S(=O)(=O)c1ccc(OC)cc1	ZINC000835038057	613002152	/nfs/dbraw/zinc/00/21/52/613002152.db2.gz	RWXZVDRQILOGRT-SNVBAGLBSA-N	-1	0	297.332	0.538	20	30		CCEDRM
C#CCO[C@H](C)C(=O)N[C@@H](c1nnn[n-]1)c1ccccc1	ZINC000913437828	613003239	/nfs/dbraw/zinc/00/32/39/613003239.db2.gz	OMVHBGAAKUFUHY-ZYHUDNBSSA-N	-1	0	285.307	0.444	20	30		CCEDRM
C#CCOc1ccc(CN2CCO[C@@H](C(=O)[O-])C2)cc1	ZINC000819706275	613006018	/nfs/dbraw/zinc/00/60/18/613006018.db2.gz	SKDMCEGZJBMGLG-CQSZACIVSA-N	-1	0	275.304	0.984	20	30		CCEDRM
C#CCOc1ccc(NC(=O)C(=O)[N-]OCC)cc1	ZINC000134741135	613006991	/nfs/dbraw/zinc/00/69/91/613006991.db2.gz	MXITXYNSCPGGLE-UHFFFAOYSA-N	-1	0	262.265	0.705	20	30		CCEDRM
C#CC[C@@H](CO)NC(=O)c1cc(F)c([O-])c(F)c1	ZINC000820055086	613028915	/nfs/dbraw/zinc/02/89/15/613028915.db2.gz	UWGMCKKUHKCXJY-QMMMGPOBSA-N	-1	0	255.220	0.784	20	30		CCEDRM
C#CC[C@@H](NC(=O)C1(c2ccccn2)CC1)C(=O)[O-]	ZINC000910047914	613039434	/nfs/dbraw/zinc/03/94/34/613039434.db2.gz	ACRZZABSAWOCNJ-SNVBAGLBSA-N	-1	0	258.277	0.706	20	30		CCEDRM
C#CC[C@@H](NC(=O)COc1ccsc1)C(=O)[O-]	ZINC000910051733	613040065	/nfs/dbraw/zinc/04/00/65/613040065.db2.gz	ZPBAISHJSHPJQJ-SECBINFHSA-N	-1	0	253.279	0.720	20	30		CCEDRM
C#CC[C@@H](NC(=O)CSC(F)(F)F)C(=O)[O-]	ZINC000910052585	613040138	/nfs/dbraw/zinc/04/01/38/613040138.db2.gz	CAZUJYYWOCRLFJ-RXMQYKEDSA-N	-1	0	255.217	0.832	20	30		CCEDRM
C#CC[C@@H](NC(=O)Cc1nn(C)c2ccccc12)C(=O)[O-]	ZINC000910045397	613040361	/nfs/dbraw/zinc/04/03/61/613040361.db2.gz	CLOQQJRDCHOCMO-LLVKDONJSA-N	-1	0	285.303	0.709	20	30		CCEDRM
C#CC[C@@H](NC(=O)[C@@H]1CCO[C@H]1C1CC1)C(=O)[O-]	ZINC000910048576	613040734	/nfs/dbraw/zinc/04/07/34/613040734.db2.gz	MUACJDKFIWHPMV-MXWKQRLJSA-N	-1	0	251.282	0.394	20	30		CCEDRM
C#CC[C@@H](NC(=O)[C@]1(O)CCCC(C)(C)C1)C(=O)[O-]	ZINC000910048120	613041615	/nfs/dbraw/zinc/04/16/15/613041615.db2.gz	DUWFAMKPMDCMCQ-YGRLFVJLSA-N	-1	0	267.325	0.910	20	30		CCEDRM
C#CC[C@@H](NC(=O)c1ccn(C(C)(C)C)n1)C(=O)[O-]	ZINC000910046101	613042046	/nfs/dbraw/zinc/04/20/46/613042046.db2.gz	LQRLNYRLHGZHHP-SNVBAGLBSA-N	-1	0	263.297	0.844	20	30		CCEDRM
C#CC[C@@H](NC(=O)c1cn2c(n1)CC[C@@H](C)C2)C(=O)[O-]	ZINC000910049918	613042220	/nfs/dbraw/zinc/04/22/20/613042220.db2.gz	ACSYZJOVLDSXBB-NXEZZACHSA-N	-1	0	275.308	0.672	20	30		CCEDRM
C#CC[C@@H](NC(=O)c1cnn(CCOC)c1C)C(=O)[O-]	ZINC000910048098	613042483	/nfs/dbraw/zinc/04/24/83/613042483.db2.gz	DJQUWWWHXLXHNA-LLVKDONJSA-N	-1	0	279.296	0.044	20	30		CCEDRM
C#CC[C@@H](NC(=O)c1snnc1C1CC1)C(=O)[O-]	ZINC000910050611	613042730	/nfs/dbraw/zinc/04/27/30/613042730.db2.gz	MBUCQARANVESAX-SSDOTTSWSA-N	-1	0	265.294	0.622	20	30		CCEDRM
C#CC[C@H](CO)NC(=O)CC1CCC(C(=O)[O-])CC1	ZINC000911395081	613053186	/nfs/dbraw/zinc/05/31/86/613053186.db2.gz	KJHFTESPRDCVDQ-HTAVTVPLSA-N	-1	0	267.325	0.768	20	30		CCEDRM
C#CCCS(=O)(=O)[N-]C(=O)[C@H]1OCCc2ccccc21	ZINC000810783772	613053321	/nfs/dbraw/zinc/05/33/21/613053321.db2.gz	DRBFLFQORGOWTQ-ZDUSSCGKSA-N	-1	0	293.344	0.770	20	30		CCEDRM
C#CCCS(=O)(=O)[N-]C(=O)c1cc(-c2ccoc2)n[nH]1	ZINC000810784015	613053325	/nfs/dbraw/zinc/05/33/25/613053325.db2.gz	OQWQXSOSWOLPTI-UHFFFAOYSA-N	-1	0	293.304	0.753	20	30		CCEDRM
C#CCCS(=O)(=O)[N-]C(=O)c1ccc([N+](=O)[O-])cc1	ZINC000810786410	613053611	/nfs/dbraw/zinc/05/36/11/613053611.db2.gz	HWHZAYHDUSEHGC-UHFFFAOYSA-N	-1	0	282.277	0.678	20	30		CCEDRM
C#CCCS(=O)(=O)[N-]C(=O)c1ncccc1OCC=C	ZINC000810781820	613053933	/nfs/dbraw/zinc/05/39/33/613053933.db2.gz	VKMQNJBZWZIQCR-UHFFFAOYSA-N	-1	0	294.332	0.729	20	30		CCEDRM
C#CCN(C(=O)CC1(C(=O)[O-])CCOCC1)C1CC1	ZINC000911408106	613065389	/nfs/dbraw/zinc/06/53/89/613065389.db2.gz	SKRFSNJANPIKCQ-UHFFFAOYSA-N	-1	0	265.309	0.882	20	30		CCEDRM
C#CC[C@H](Cc1ccccc1)NC(=O)c1cc(=O)[nH][n-]1	ZINC000804459055	613067142	/nfs/dbraw/zinc/06/71/42/613067142.db2.gz	QNFOOGOPZUCQMM-GFCCVEGCSA-N	-1	0	269.304	0.613	20	30		CCEDRM
C#CC[C@H](NC(=O)[C@H](C)c1c(C)noc1C)C(=O)[O-]	ZINC000910054964	613069334	/nfs/dbraw/zinc/06/93/34/613069334.db2.gz	VCGJVVZHANALGU-XCBNKYQSSA-N	-1	0	264.281	0.988	20	30		CCEDRM
C#CC[C@H](NC(=O)[C@H]1C[C@H]1c1cnn(C)c1)C(=O)[O-]	ZINC000910052635	613069680	/nfs/dbraw/zinc/06/96/80/613069680.db2.gz	DGYVGAJDEIYMJI-DCAQKATOSA-N	-1	0	261.281	0.116	20	30		CCEDRM
C#CC[C@H](NC(=O)[C@@]12CCO[C@H]1CCCC2)C(=O)[O-]	ZINC000910052340	613069778	/nfs/dbraw/zinc/06/97/78/613069778.db2.gz	UPNVVKYHINITEA-MJVIPROJSA-N	-1	0	265.309	0.928	20	30		CCEDRM
C#CC[C@H](NC(=O)c1cccc(C(=O)N(C)C)c1)C(=O)[O-]	ZINC000910053092	613070344	/nfs/dbraw/zinc/07/03/44/613070344.db2.gz	ATGQZOLAJTVBNB-LBPRGKRZSA-N	-1	0	288.303	0.595	20	30		CCEDRM
C#CC[C@H](NC(=O)c1cnc(C(F)(F)F)nc1)C(=O)[O-]	ZINC000910045482	613070360	/nfs/dbraw/zinc/07/03/60/613070360.db2.gz	DWQFLOHNXUYUIC-ZETCQYMHSA-N	-1	0	287.197	0.702	20	30		CCEDRM
C#CC[C@H](NC(=O)c1cccc2c1CCOC2)C(=O)[O-]	ZINC000923090941	613070378	/nfs/dbraw/zinc/07/03/78/613070378.db2.gz	USPKPPWIWYFGED-ZDUSSCGKSA-N	-1	0	273.288	0.966	20	30		CCEDRM
C#CC[C@H](OC(=O)CN1CCN(C(=O)[O-])CC1=O)C1CC1	ZINC000823440960	613071419	/nfs/dbraw/zinc/07/14/19/613071419.db2.gz	NWXREWVKJLNURM-NSHDSACASA-N	-1	0	294.307	0.154	20	30		CCEDRM
C#C[C@@H](C)N(C)C(=O)CC[C@@H]1C[C@H](C(=O)[O-])CO1	ZINC000911384890	613079158	/nfs/dbraw/zinc/07/91/58/613079158.db2.gz	JHCDRPFDWALGMV-OUAUKWLOSA-N	-1	0	253.298	0.736	20	30		CCEDRM
C#C[C@@H](CO)NC(=O)CCc1ccccc1C(=O)[O-]	ZINC000911612087	613086441	/nfs/dbraw/zinc/08/64/41/613086441.db2.gz	QVUYONKSRAIHAS-NSHDSACASA-N	-1	0	261.277	0.428	20	30		CCEDRM
C#C[C@@H](NC(=O)CCCCC(=O)[O-])[C@@H]1CCCO1	ZINC000911578830	613092019	/nfs/dbraw/zinc/09/20/19/613092019.db2.gz	KZRDQODPGAVHCV-MNOVXSKESA-N	-1	0	253.298	0.928	20	30		CCEDRM
C#C[C@@H](NC(=O)CCCC(=O)[O-])C1CCOCC1	ZINC000911794698	613092086	/nfs/dbraw/zinc/09/20/86/613092086.db2.gz	ZYZNSINZOXXVSP-LLVKDONJSA-N	-1	0	253.298	0.786	20	30		CCEDRM
C#C[C@@H](NC(=O)c1cc(S(N)(=O)=O)ccc1[O-])C(C)C	ZINC000847118397	613098914	/nfs/dbraw/zinc/09/89/14/613098914.db2.gz	VVHGPLKHQKTVOP-LLVKDONJSA-N	-1	0	296.348	0.427	20	30		CCEDRM
C#CCN(CC#C)C(=O)c1csc(CNC(=O)[O-])n1	ZINC000823451443	613099071	/nfs/dbraw/zinc/09/90/71/613099071.db2.gz	VGOGUSQHLSIZKT-UHFFFAOYSA-N	-1	0	277.305	0.619	20	30		CCEDRM
C#C[C@@H](NC(=O)c1n[nH]c(=O)[n-]c1=O)C(C)(C)C	ZINC000813776933	613099626	/nfs/dbraw/zinc/09/96/26/613099626.db2.gz	FOPHWKJQOGBZEV-ZCFIWIBFSA-N	-1	0	250.258	0.061	20	30		CCEDRM
C#CCN(CC(=O)[O-])S(=O)(=O)c1cc(C2CC2)nn1C	ZINC000899929698	613103596	/nfs/dbraw/zinc/10/35/96/613103596.db2.gz	IXSPLFSJZONFKS-UHFFFAOYSA-N	-1	0	297.336	0.006	20	30		CCEDRM
C#C[C@@H]1COCCN1C(=O)NCCCCC(=O)[O-]	ZINC000840992904	613109652	/nfs/dbraw/zinc/10/96/52/613109652.db2.gz	VGZGNCJFYGXFRW-SNVBAGLBSA-N	-1	0	254.286	0.285	20	30		CCEDRM
C#C[C@H](NC(=O)CC1(C(=O)[O-])CCOCC1)[C@@H]1CCCO1	ZINC000911581285	613132680	/nfs/dbraw/zinc/13/26/80/613132680.db2.gz	XFHOTLUVBWRWTQ-RYUDHWBXSA-N	-1	0	295.335	0.555	20	30		CCEDRM
C#C[C@H](NC(=O)C12CC(C(=O)[O-])(C1)C2)[C@@H]1CCCO1	ZINC000911580928	613132723	/nfs/dbraw/zinc/13/27/23/613132723.db2.gz	VFBBMMLQIFQWKA-MBFGLIKCSA-N	-1	0	263.293	0.538	20	30		CCEDRM
C#C[C@H](NC(=O)c1ccnc(C(=O)[O-])c1)C1CCOCC1	ZINC000911789118	613149271	/nfs/dbraw/zinc/14/92/71/613149271.db2.gz	GGUKRODCTCGHHV-LBPRGKRZSA-N	-1	0	288.303	0.938	20	30		CCEDRM
C#C[C@H]1CCCN(C(=O)[C@H]2C[C@@H](C)[C@H](C(=O)[O-])O2)C1	ZINC000911408536	613158298	/nfs/dbraw/zinc/15/82/98/613158298.db2.gz	CCIOPHKXOQKODA-WRWGMCAJSA-N	-1	0	265.309	0.736	20	30		CCEDRM
C#Cc1ccc(C(=O)N(C)[C@@H]2CCN(C(=O)[O-])C2)cn1	ZINC000823466518	613166013	/nfs/dbraw/zinc/16/60/13/613166013.db2.gz	CIQYXMSVTWLPAF-GFCCVEGCSA-N	-1	0	273.292	0.887	20	30		CCEDRM
C#Cc1ccc(C(=O)N2CCC(O)(C(=O)[O-])CC2)nc1	ZINC000833368018	613167937	/nfs/dbraw/zinc/16/79/37/613167937.db2.gz	DBZPYXVGVLDPKK-UHFFFAOYSA-N	-1	0	274.276	0.115	20	30		CCEDRM
C#Cc1ccc(C(=O)N2C[C@@H](C)[C@H](C(=O)[O-])C2)cn1	ZINC000825636324	613175241	/nfs/dbraw/zinc/17/52/41/613175241.db2.gz	HRKHPQIPEQEREK-BXKDBHETSA-N	-1	0	258.277	0.856	20	30		CCEDRM
C#Cc1ccc(S(=O)(=O)[N-]N2CCCC2=O)cc1	ZINC000907310356	613197984	/nfs/dbraw/zinc/19/79/84/613197984.db2.gz	KOWRBIFHQHRVKK-UHFFFAOYSA-N	-1	0	264.306	0.484	20	30		CCEDRM
C#Cc1cccc(NC(=O)C(=O)N[C@@H](C(=O)[O-])C(C)C)c1	ZINC000817675262	613202496	/nfs/dbraw/zinc/20/24/96/613202496.db2.gz	HQQNTYXHHHVZPN-GFCCVEGCSA-N	-1	0	288.303	0.832	20	30		CCEDRM
C#CCN1CCN(C(=O)C(C)(C)CCC(=O)[O-])CC1	ZINC000911149951	613204318	/nfs/dbraw/zinc/20/43/18/613204318.db2.gz	BEWOTLPLUQVEQI-UHFFFAOYSA-N	-1	0	266.341	0.655	20	30		CCEDRM
C#CCN1CCN(C(=O)CC2(NC(=O)[O-])CCC2)CC1	ZINC000823451397	613204825	/nfs/dbraw/zinc/20/48/25/613204825.db2.gz	TZELVYKHNJITIF-UHFFFAOYSA-N	-1	0	279.340	0.344	20	30		CCEDRM
C#Cc1ccccc1CC(=O)[N-]S(=O)(=O)[C@@H](C)COC	ZINC000810584554	613206900	/nfs/dbraw/zinc/20/69/00/613206900.db2.gz	DOFKRJXSDBJGHY-NSHDSACASA-N	-1	0	295.360	0.691	20	30		CCEDRM
C=C(C)C(C)(C)C(=O)NCCn1cc(C(=O)[O-])nn1	ZINC000909816629	613244564	/nfs/dbraw/zinc/24/45/64/613244564.db2.gz	GXQZMOFOKCNRDC-UHFFFAOYSA-N	-1	0	266.301	0.695	20	30		CCEDRM
C=C(C)CN(CC)C(=O)CN1CC[C@@H](OC)C[C@H]1C(=O)[O-]	ZINC000833369142	613292761	/nfs/dbraw/zinc/29/27/61/613292761.db2.gz	HCYQFGAPAQYBTR-OLZOCXBDSA-N	-1	0	298.383	0.975	20	30		CCEDRM
C=C(C)CN(CC)C(=O)COC(=O)CC1CN(C(=O)[O-])C1	ZINC000823473840	613293446	/nfs/dbraw/zinc/29/34/46/613293446.db2.gz	IEDOGRGAGUQRDQ-UHFFFAOYSA-N	-1	0	298.339	0.954	20	30		CCEDRM
C#CCNC(=O)C1CCN(C(=O)[C@H](C)CC(=O)[O-])CC1	ZINC000825618348	613323089	/nfs/dbraw/zinc/32/30/89/613323089.db2.gz	AQFPVZRATWFRPB-SNVBAGLBSA-N	-1	0	280.324	0.085	20	30		CCEDRM
C#CCNC(=O)COC(=O)Cc1cccc(C(=O)[O-])c1	ZINC000833365944	613331843	/nfs/dbraw/zinc/33/18/43/613331843.db2.gz	YFHNVIFIDSXOCC-UHFFFAOYSA-N	-1	0	275.260	0.220	20	30		CCEDRM
C=C(C)COCCNC(=O)N(C)[C@H](C)CNC(=O)[O-]	ZINC000823480437	613351948	/nfs/dbraw/zinc/35/19/48/613351948.db2.gz	CEVGXXUKKZHJIV-SNVBAGLBSA-N	-1	0	273.333	0.877	20	30		CCEDRM
C=C(C)CO[N-]C(=O)C(=O)Nc1c2c(nn1C)CCC2	ZINC000846145404	613352373	/nfs/dbraw/zinc/35/23/73/613352373.db2.gz	BQNOANRGSGFSDZ-UHFFFAOYSA-N	-1	0	278.312	0.471	20	30		CCEDRM
C=C(C)CO[N-]C(=O)C(=O)Nc1c(C)noc1C	ZINC000846149951	613352375	/nfs/dbraw/zinc/35/23/75/613352375.db2.gz	VXDYYOCODOAJEH-UHFFFAOYSA-N	-1	0	253.258	0.854	20	30		CCEDRM
C=C(C)CO[N-]C(=O)[C@@H](C)N1C(=O)NC2(CCCC2)C1=O	ZINC000846539883	613353646	/nfs/dbraw/zinc/35/36/46/613353646.db2.gz	PEBQKZIBVCYLOH-SNVBAGLBSA-N	-1	0	295.339	0.863	20	30		CCEDRM
C=C(C)CO[N-]C(=O)[C@H](C)n1cnc2c1ncnc2N	ZINC000855026876	613353802	/nfs/dbraw/zinc/35/38/02/613353802.db2.gz	RLJPTCDBDPJIDN-QMMMGPOBSA-N	-1	0	276.300	0.593	20	30		CCEDRM
C=C(C)CO[N-]C(=O)[C@H](O)[C@H](O)c1nc2ccccc2[nH]1	ZINC000846534774	613353840	/nfs/dbraw/zinc/35/38/40/613353840.db2.gz	AZNLDJNRGOAORW-NWDGAFQWSA-N	-1	0	291.307	0.581	20	30		CCEDRM
C=C(C)C[C@@H](C)C(=O)[N-]S(=O)(=O)C[C@@H](COC)OC	ZINC000853205957	613354388	/nfs/dbraw/zinc/35/43/88/613354388.db2.gz	LTJJADKXPWHRPL-GHMZBOCLSA-N	-1	0	293.385	0.696	20	30		CCEDRM
C=C(C)C[C@@H](NC(=O)CCc1cnccn1)C(=O)[O-]	ZINC000910291652	613355770	/nfs/dbraw/zinc/35/57/70/613355770.db2.gz	LCNWNDSYQYXNIE-LLVKDONJSA-N	-1	0	263.297	0.945	20	30		CCEDRM
C=C(C)C[C@@H](NC(C)=O)C(=O)[N-]OCCSC	ZINC000834826265	613356472	/nfs/dbraw/zinc/35/64/72/613356472.db2.gz	NNWSJTSYRKLANT-SNVBAGLBSA-N	-1	0	260.359	0.868	20	30		CCEDRM
C=C(C)C[C@@H](NC(C)=O)C(=O)[N-]OC(C)(C)CO	ZINC000854754150	613356492	/nfs/dbraw/zinc/35/64/92/613356492.db2.gz	ODQHINDGKICNTA-SNVBAGLBSA-N	-1	0	258.318	0.276	20	30		CCEDRM
C=C(C)C[C@@H](NS(=O)(=O)c1ccns1)C(=O)OC	ZINC000885334708	613356921	/nfs/dbraw/zinc/35/69/21/613356921.db2.gz	DBYVDSGWAOPAJF-MRVPVSSYSA-N	-1	0	290.366	0.929	20	30		CCEDRM
C=C(C)C[C@H](NS(=O)(=O)[C@@H](C)COC)C(=O)OCC	ZINC000882645338	613360003	/nfs/dbraw/zinc/36/00/03/613360003.db2.gz	ZONBPDKOBRYXAO-QWRGUYRKSA-N	-1	0	293.385	0.839	20	30		CCEDRM
C=C(C)[C@H](CC(=O)N[C@H](COC)C(=O)[O-])OCC	ZINC000833366795	613362215	/nfs/dbraw/zinc/36/22/15/613362215.db2.gz	DFWPCDOGGLCKGW-ZJUUUORDSA-N	-1	0	259.302	0.574	20	30		CCEDRM
C=C(C)[C@H]1OCC[C@H]1C(=O)N1C[C@@H](C)O[C@H](C(=O)[O-])C1	ZINC000910229986	613362901	/nfs/dbraw/zinc/36/29/01/613362901.db2.gz	UNAWLFVZMAOJRH-WISYIIOYSA-N	-1	0	283.324	0.668	20	30		CCEDRM
C=C(Cl)C[C@@H](NC(=O)Cc1ccnn1C)C(=O)[O-]	ZINC000864187874	613388454	/nfs/dbraw/zinc/38/84/54/613388454.db2.gz	DACTZKANYUSKNW-SECBINFHSA-N	-1	0	271.704	0.675	20	30		CCEDRM
C=C(Cl)C[C@@H](NC(=O)CCn1ccccc1=O)C(=O)[O-]	ZINC000864184619	613388455	/nfs/dbraw/zinc/38/84/55/613388455.db2.gz	OZAWDHQYHDFDIK-SNVBAGLBSA-N	-1	0	298.726	0.950	20	30		CCEDRM
C=C(Cl)C[C@@H](NC(=O)COC1CCOCC1)C(=O)[O-]	ZINC000910267768	613388525	/nfs/dbraw/zinc/38/85/25/613388525.db2.gz	UVRHLUNJHVRDPH-SNVBAGLBSA-N	-1	0	291.731	0.894	20	30		CCEDRM
C=C(Cl)C[C@@H](NC(=O)c1ccc(=O)n(C)c1)C(=O)[O-]	ZINC000864184914	613388666	/nfs/dbraw/zinc/38/86/66/613388666.db2.gz	YZFOYYKZUSCFDS-SECBINFHSA-N	-1	0	284.699	0.711	20	30		CCEDRM
C=C(Cl)C[C@@H](NS(=O)(=O)CCCOC)C(=O)[O-]	ZINC000863419620	613388698	/nfs/dbraw/zinc/38/86/98/613388698.db2.gz	DOCVCSSKRCHSFT-MRVPVSSYSA-N	-1	0	285.749	0.538	20	30		CCEDRM
C=C(Cl)C[C@@H](NC(=O)[C@H]1CN(CC)CCO1)C(=O)[O-]	ZINC000910268386	613388748	/nfs/dbraw/zinc/38/87/48/613388748.db2.gz	YEBOMFOYEYKTLC-NXEZZACHSA-N	-1	0	290.747	0.419	20	30		CCEDRM
C=C(Cl)C[C@H](NC(=O)CNC(=O)CCC)C(=O)[O-]	ZINC000864185642	613390521	/nfs/dbraw/zinc/39/05/21/613390521.db2.gz	YGKYQGCKGKUDOS-QMMMGPOBSA-N	-1	0	276.720	0.615	20	30		CCEDRM
C=C(Cl)C[C@H](NC(=O)[C@H]1[C@@H]2COC[C@@H]21)C(=O)[O-]	ZINC000864186281	613390762	/nfs/dbraw/zinc/39/07/62/613390762.db2.gz	LYVFMVXBBSLTKJ-UYXSQOIJSA-N	-1	0	259.689	0.591	20	30		CCEDRM
C=C1CC(C)(C(=O)NC[C@@H]2CCO[C@@H]2C(=O)[O-])C1	ZINC000910346569	613395387	/nfs/dbraw/zinc/39/53/87/613395387.db2.gz	KRFIGUCYDZPMIW-UWVGGRQHSA-N	-1	0	253.298	0.949	20	30		CCEDRM
COc1cnc(F)c(C(=O)[N-]S(=O)(=O)CCC#N)c1	ZINC000847708539	617332106	/nfs/dbraw/zinc/33/21/06/617332106.db2.gz	WUFUPHQINXCNTC-UHFFFAOYSA-N	-1	0	287.272	0.203	20	30		CCEDRM
C=CC[C@@H](C)NC(=O)c1cccn(CC(=O)[O-])c1=O	ZINC000901726026	613400546	/nfs/dbraw/zinc/40/05/46/613400546.db2.gz	YNGWUDGRHNHCOG-SECBINFHSA-N	-1	0	264.281	0.627	20	30		CCEDRM
C=C1CCC(C(=O)N2CCC(O)(c3nnn[n-]3)CC2)CC1	ZINC000907942885	613404170	/nfs/dbraw/zinc/40/41/70/613404170.db2.gz	CPRYGOGNCUGRFM-UHFFFAOYSA-N	-1	0	291.355	0.756	20	30		CCEDRM
C=C1CN(C(=O)Cc2c(C)nc(-c3ncccn3)[n-]c2=O)C1	ZINC000898694332	613415506	/nfs/dbraw/zinc/41/55/06/613415506.db2.gz	FGZAAVMLLHLZTG-UHFFFAOYSA-N	-1	0	297.318	0.889	20	30		CCEDRM
C=CC[C@H]1CCCN(C(=O)N=c2nn[n-]n2CC)C1	ZINC000888323335	613421236	/nfs/dbraw/zinc/42/12/36/613421236.db2.gz	WMEQYTPKGSJUTD-JTQLQIEISA-N	-1	0	264.333	0.935	20	30		CCEDRM
C=CCn1cc(C(=O)N2CC[C@@]3(C(=O)[O-])CCC[C@@H]23)nn1	ZINC000872765866	613426814	/nfs/dbraw/zinc/42/68/14/613426814.db2.gz	GZHSQMLQQLEFPN-RISCZKNCSA-N	-1	0	290.323	0.934	20	30		CCEDRM
C=CCn1cc(C(=O)N2C[C@@H](CC)[C@](F)(C(=O)[O-])C2)nn1	ZINC000910547305	613427276	/nfs/dbraw/zinc/42/72/76/613427276.db2.gz	WCXNYMPPDNBJSQ-RNCFNFMXSA-N	-1	0	296.302	0.739	20	30		CCEDRM
C=CCn1cc(C(=O)[N-]S(=O)(=O)CC(C)(C)C)nn1	ZINC000842714664	613429401	/nfs/dbraw/zinc/42/94/01/613429401.db2.gz	DCRLTTBELODVFR-UHFFFAOYSA-N	-1	0	286.357	0.570	20	30		CCEDRM
C=CCn1cc(C(=O)[N-]S(=O)(=O)C2CCC2)nn1	ZINC000842774140	613429406	/nfs/dbraw/zinc/42/94/06/613429406.db2.gz	PTNXMXKZUKTQGM-UHFFFAOYSA-N	-1	0	270.314	0.076	20	30		CCEDRM
C=CCn1cc(C(=O)[N-]S(=O)(=O)C(CC)CC)nn1	ZINC000842717467	613429594	/nfs/dbraw/zinc/42/95/94/613429594.db2.gz	VDAYYVGXJGKEDT-UHFFFAOYSA-N	-1	0	286.357	0.712	20	30		CCEDRM
C=CCn1cc(C(=O)N[C@H]2CC[C@H]2C(=O)[O-])nn1	ZINC000923140668	613431266	/nfs/dbraw/zinc/43/12/66/613431266.db2.gz	YOAMRHRIPMNTAS-SFYZADRCSA-N	-1	0	250.258	0.057	20	30		CCEDRM
C=C[C@@H](C)NS(=O)(=O)c1cccc(F)c1-c1nn[nH]n1	ZINC000823882670	613442826	/nfs/dbraw/zinc/44/28/26/613442826.db2.gz	BLJMWRAMTYLHQA-SSDOTTSWSA-N	-1	0	297.315	0.859	20	30		CCEDRM
C=C[C@@H](C)O[N-]C(=O)C(=O)Nc1ccn(CCF)n1	ZINC000873935084	613443199	/nfs/dbraw/zinc/44/31/99/613443199.db2.gz	ZHWMOBIANMBRSL-MRVPVSSYSA-N	-1	0	270.264	0.413	20	30		CCEDRM
C=C[C@@H](CC)CC(=O)N1CC(n2cc(C(=O)[O-])nn2)C1	ZINC000907629431	613447582	/nfs/dbraw/zinc/44/75/82/613447582.db2.gz	QTCYKMPTIGVPJU-VIFPVBQESA-N	-1	0	278.312	0.962	20	30		CCEDRM
C=CC1(S(=O)(=O)[N-]C(=O)/C=C/[C@@H]2CCOC2)CC1	ZINC000870837358	613449824	/nfs/dbraw/zinc/44/98/24/613449824.db2.gz	IZSZWGNQOMEBHM-HMDXOVGESA-N	-1	0	271.338	0.744	20	30		CCEDRM
C=CC1(S(=O)(=O)[N-]C(=O)CCCCOC)CC1	ZINC000870832784	613450352	/nfs/dbraw/zinc/45/03/52/613450352.db2.gz	QJOMRFUSZBTMID-UHFFFAOYSA-N	-1	0	261.343	0.968	20	30		CCEDRM
C=CC1(S(=O)(=O)[N-]C(=O)CCCC(C)=O)CC1	ZINC000870836151	613450401	/nfs/dbraw/zinc/45/04/01/613450401.db2.gz	SKFRGYMAURHMOM-UHFFFAOYSA-N	-1	0	259.327	0.910	20	30		CCEDRM
C=CC1(S(=O)(=O)[N-]C(=O)[C@@H]2C[C@@H](C)CO2)CC1	ZINC000893305405	613451161	/nfs/dbraw/zinc/45/11/61/613451161.db2.gz	QIORUHHGQCLICV-BDAKNGLRSA-N	-1	0	259.327	0.576	20	30		CCEDRM
C=CC1(S(=O)(=O)[N-]C(=O)c2c(C)nn(C)c2OC)CC1	ZINC000870832981	613451989	/nfs/dbraw/zinc/45/19/89/613451989.db2.gz	UQOCSSHPZWCSLL-UHFFFAOYSA-N	-1	0	299.352	0.515	20	30		CCEDRM
C=CC1(S(=O)(=O)[N-]C(=O)c2conc2C)CC1	ZINC000870839759	613452346	/nfs/dbraw/zinc/45/23/46/613452346.db2.gz	VKYNYQZYQPGJCM-UHFFFAOYSA-N	-1	0	256.283	0.761	20	30		CCEDRM
C=C[C@@H](O)C(=O)N[C@@H]1CCSC2(CC(C(=O)[O-])C2)C1	ZINC000908175090	613452634	/nfs/dbraw/zinc/45/26/34/613452634.db2.gz	YBPBQSGSDGOIHR-LIVJGEBJSA-N	-1	0	285.365	0.779	20	30		CCEDRM
C=CCC(CC=C)C(=O)N[C@H](C)C(=O)N[C@@H](C)C(=O)[O-]	ZINC000910750812	613453604	/nfs/dbraw/zinc/45/36/04/613453604.db2.gz	MSJSTXINDDLNEX-ZJUUUORDSA-N	-1	0	282.340	0.849	20	30		CCEDRM
C=CCC(F)(F)C(=O)[N-]S(=O)(=O)C[C@H]1CCOC1	ZINC000815997813	613455197	/nfs/dbraw/zinc/45/51/97/613455197.db2.gz	XSVVEYSNRVLSJT-QMMMGPOBSA-N	-1	0	283.296	0.680	20	30		CCEDRM
C=CCC1(C(=O)[O-])CN(S(=O)(=O)[C@@H]2CCO[C@H]2C)C1	ZINC000906006895	613456986	/nfs/dbraw/zinc/45/69/86/613456986.db2.gz	LWUSURAGRDUSNM-VHSXEESVSA-N	-1	0	289.353	0.456	20	30		CCEDRM
C=CCC1(O)CCN(C(=O)c2n[nH]c(C)c2[O-])CC1	ZINC000899589976	613459151	/nfs/dbraw/zinc/45/91/51/613459151.db2.gz	KQRJZIIKONLJFC-UHFFFAOYSA-N	-1	0	265.313	0.967	20	30		CCEDRM
C=CCC1(S(=O)(=O)[N-]C(=O)[C@@H](CC)NC(C)=O)CC1	ZINC000870368610	613461432	/nfs/dbraw/zinc/46/14/32/613461432.db2.gz	FXJJJQVVOOVYGF-SNVBAGLBSA-N	-1	0	288.369	0.456	20	30		CCEDRM
C=CCC1(S(=O)(=O)[N-]C(=O)c2cc(OC)n(C)n2)CC1	ZINC000810985011	613461475	/nfs/dbraw/zinc/46/14/75/613461475.db2.gz	UOVOACARZSKELT-UHFFFAOYSA-N	-1	0	299.352	0.597	20	30		CCEDRM
C=C[C@@H]1OCC[C@H]1C(=O)[N-]S(=O)(=O)[C@@H](C)COC	ZINC000835160765	613466332	/nfs/dbraw/zinc/46/63/32/613466332.db2.gz	BFRGLYVRFJZQTI-AEJSXWLSSA-N	-1	0	277.342	0.058	20	30		CCEDRM
C=CCCC[C@@H](NS(=O)(=O)C[C@@H](C)OC)C(=O)[O-]	ZINC000903059042	613471422	/nfs/dbraw/zinc/47/14/22/613471422.db2.gz	LEXCYHWEPWDHMX-NXEZZACHSA-N	-1	0	279.358	0.750	20	30		CCEDRM
C=CCCC[C@H](NC(=O)CCCn1cncn1)C(=O)[O-]	ZINC000910914123	613473315	/nfs/dbraw/zinc/47/33/15/613473315.db2.gz	IDJANCDRGOOXSS-NSHDSACASA-N	-1	0	280.328	0.984	20	30		CCEDRM
C=CCCC[C@H](NC(=O)[C@@]1(C)C[C@H](O)CN1C)C(=O)[O-]	ZINC000910927474	613473569	/nfs/dbraw/zinc/47/35/69/613473569.db2.gz	ZNTHZBVNYXXHHD-COPLHBTASA-N	-1	0	284.356	0.367	20	30		CCEDRM
C=CCCC[C@H](NC(=O)[C@@H](OC)[C@@H]1CCOC1)C(=O)[O-]	ZINC000910926386	613473957	/nfs/dbraw/zinc/47/39/57/613473957.db2.gz	SEMJOUWQZFIQGC-WOPDTQHZSA-N	-1	0	285.340	0.964	20	30		CCEDRM
C=CCCC[C@H](NS(=O)(=O)N(CC)CC)C(=O)[O-]	ZINC000903059243	613474723	/nfs/dbraw/zinc/47/47/23/613474723.db2.gz	NKPCUYCOSITWJO-JTQLQIEISA-N	-1	0	278.374	0.972	20	30		CCEDRM
C=CCCC[C@H](NS(=O)(=O)N(C)C1CC1)C(=O)[O-]	ZINC000903058442	613474773	/nfs/dbraw/zinc/47/47/73/613474773.db2.gz	HCBHFGQRIOFJON-JTQLQIEISA-N	-1	0	276.358	0.725	20	30		CCEDRM
C=C[C@@](C)(CCOC)C(=O)N1CCO[C@@H](CC(=O)[O-])C1	ZINC000909270870	613476555	/nfs/dbraw/zinc/47/65/55/613476555.db2.gz	ZINYWJLQFNUCCL-FZMZJTMJSA-N	-1	0	285.340	0.917	20	30		CCEDRM
C=C[C@H](C)O[N-]C(=O)C(=O)Nc1cc(OC)ncn1	ZINC000846155503	613483683	/nfs/dbraw/zinc/48/36/83/613483683.db2.gz	XPCOGRMGANTSFJ-ZETCQYMHSA-N	-1	0	266.257	0.046	20	30		CCEDRM
C=C[C@H](O)C(=O)N1CCc2c(F)ccc(C(=O)[O-])c2C1	ZINC000910207115	613494854	/nfs/dbraw/zinc/49/48/54/613494854.db2.gz	FOHOMMPBYLFGAR-LBPRGKRZSA-N	-1	0	279.267	0.956	20	30		CCEDRM
C=C[C@H](O)C(=O)N1CC[C@](C)([N-]C(=O)C(F)(F)F)C1	ZINC000830796223	613494903	/nfs/dbraw/zinc/49/49/03/613494903.db2.gz	YAUQXZZUVVWBPT-XVKPBYJWSA-N	-1	0	280.246	0.203	20	30		CCEDRM
C=C[C@](C)(CCOC)C(=O)[N-]OCCN1CCCC1=O	ZINC000856042570	613505513	/nfs/dbraw/zinc/50/55/13/613505513.db2.gz	AXCXIJWDUQEQNZ-CQSZACIVSA-N	-1	0	284.356	0.885	20	30		CCEDRM
C=C[C@](C)(O)C(=O)N1CC[C@@](C(=O)[O-])(C(F)(F)F)C1	ZINC000909764099	613506638	/nfs/dbraw/zinc/50/66/38/613506638.db2.gz	WXTUYSAWRYDBGY-VHSXEESVSA-N	-1	0	281.230	0.789	20	30		CCEDRM
CC#CCCCC(=O)[N-]S(=O)(=O)C1(COC)CC1	ZINC000811152966	613520326	/nfs/dbraw/zinc/52/03/26/613520326.db2.gz	SQIRGXQGUVHOTA-UHFFFAOYSA-N	-1	0	273.354	0.805	20	30		CCEDRM
C=CCCOCC(=O)N1CCC([C@H](O)C(=O)[O-])CC1	ZINC000833374067	613571369	/nfs/dbraw/zinc/57/13/69/613571369.db2.gz	QEOAXOUCXJPKNN-LBPRGKRZSA-N	-1	0	271.313	0.263	20	30		CCEDRM
C=CCCOCC(=O)N[C@@H](C[C@H]1CCCO1)C(=O)[O-]	ZINC000910583881	613572791	/nfs/dbraw/zinc/57/27/91/613572791.db2.gz	DAELQFICTMMQGU-MNOVXSKESA-N	-1	0	271.313	0.718	20	30		CCEDRM
C=CCCO[N-]C(=O)CN(C)C(=O)[C@H](C)n1cccn1	ZINC000856030471	613576224	/nfs/dbraw/zinc/57/62/24/613576224.db2.gz	FNLVNWMWPZUVIA-NSHDSACASA-N	-1	0	280.328	0.526	20	30		CCEDRM
C=CCCO[N-]C(=O)Cn1c2ccccc2n(C)c1=O	ZINC000856029436	613576616	/nfs/dbraw/zinc/57/66/16/613576616.db2.gz	NLTVGWIPPZEYTQ-UHFFFAOYSA-N	-1	0	275.308	0.964	20	30		CCEDRM
C=CCCO[N-]C(=O)CN1C(=O)[C@H]2CCCC[C@@H]2C1=O	ZINC000856028082	613576862	/nfs/dbraw/zinc/57/68/62/613576862.db2.gz	AFJTXTRSUSKIDU-QWRGUYRKSA-N	-1	0	280.324	0.786	20	30		CCEDRM
C=CCCO[N-]C(=O)[C@@H]1CSCN1C(=O)CC	ZINC000856031043	613577260	/nfs/dbraw/zinc/57/72/60/613577260.db2.gz	CBSILKSYUOWCFX-VIFPVBQESA-N	-1	0	258.343	0.922	20	30		CCEDRM
C=CCCO[C@@H](C)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)[O-]	ZINC000833373872	613578569	/nfs/dbraw/zinc/57/85/69/613578569.db2.gz	HHGGWCDULSTJQX-ONGXEEELSA-N	-1	0	281.312	0.503	20	30		CCEDRM
C=CCCS(=O)(=O)N[C@@]1(CC(=O)[O-])CCCOC1	ZINC000819107322	613581717	/nfs/dbraw/zinc/58/17/17/613581717.db2.gz	HTIHEKWJMPDNLN-LLVKDONJSA-N	-1	0	277.342	0.506	20	30		CCEDRM
C=CCC[C@H](CO)NS(=O)(=O)N=[S@@](C)(=O)CC	ZINC000867368363	613589584	/nfs/dbraw/zinc/58/95/84/613589584.db2.gz	QRSQXMCZFXPXAT-ABKXIKBNSA-N	-1	0	284.403	0.266	20	30		CCEDRM
C=CCC[C@H](NC(=O)[C@@]1(C#N)CCCOC1)C(=O)[O-]	ZINC000923083856	613590030	/nfs/dbraw/zinc/59/00/30/613590030.db2.gz	SWAZZKQZLZMLBB-GXFFZTMASA-N	-1	0	266.297	0.842	20	30		CCEDRM
C=CCC[C@H](NC(=O)Cn1nccc1C)C(=O)[O-]	ZINC000909711505	613590146	/nfs/dbraw/zinc/59/01/46/613590146.db2.gz	CDTYAXAJQULDOP-JTQLQIEISA-N	-1	0	251.286	0.727	20	30		CCEDRM
C=CCC[C@H](NC(=O)c1nn(CC)nc1C)C(=O)[O-]	ZINC000909712164	613590345	/nfs/dbraw/zinc/59/03/45/613590345.db2.gz	IHBNCXKSRRWQMP-VIFPVBQESA-N	-1	0	266.301	0.756	20	30		CCEDRM
C=CCCn1cc(C(=O)N2CCC[C@@H]3C[C@@]32C(=O)[O-])nn1	ZINC000923146776	613593208	/nfs/dbraw/zinc/59/32/08/613593208.db2.gz	IRCBJJJFMNRMQZ-YGRLFVJLSA-N	-1	0	290.323	0.934	20	30		CCEDRM
C=CCCn1cc(C(=O)[N-]S(=O)(=O)CCC)nn1	ZINC000820085583	613594877	/nfs/dbraw/zinc/59/48/77/613594877.db2.gz	RNZNMQVMORDIRW-UHFFFAOYSA-N	-1	0	272.330	0.324	20	30		CCEDRM
C=CCN(C(=O)C(=O)N1CC[C@@H](C(=O)[O-])[C@H](C)C1)C(C)C	ZINC000863748243	613601803	/nfs/dbraw/zinc/60/18/03/613601803.db2.gz	NONWFVNHANJCDW-VXGBXAGGSA-N	-1	0	296.367	0.979	20	30		CCEDRM
C=CCN(CC(=O)[O-])C(=O)CCc1ccc(=O)[nH]c1	ZINC000909516632	613641844	/nfs/dbraw/zinc/64/18/44/613641844.db2.gz	LFYHAVFBAKWJLU-UHFFFAOYSA-N	-1	0	264.281	0.819	20	30		CCEDRM
C=CCN(CC(=O)[O-])C(=O)CS(=O)(=O)CCCC	ZINC000907634183	613641857	/nfs/dbraw/zinc/64/18/57/613641857.db2.gz	NOEDCTPNBVSDCL-UHFFFAOYSA-N	-1	0	277.342	0.301	20	30		CCEDRM
C=CCN(CC(=O)[O-])C(=O)NCCOC[C@@H]1CCOC1	ZINC000908946111	613642512	/nfs/dbraw/zinc/64/25/12/613642512.db2.gz	JEJLKQIJASCOON-LLVKDONJSA-N	-1	0	286.328	0.322	20	30		CCEDRM
C=CCN(CC(=O)[O-])C(=O)[C@H]1CCc2c[nH]nc2C1	ZINC000909514177	613643041	/nfs/dbraw/zinc/64/30/41/613643041.db2.gz	CCKWXTCOEMHEOR-VIFPVBQESA-N	-1	0	263.297	0.614	20	30		CCEDRM
C=CCN(CC(=O)[O-])C(=O)Nc1cc(OC)nn1C	ZINC000887384294	613643172	/nfs/dbraw/zinc/64/31/72/613643172.db2.gz	ZELABGOAXBNARC-UHFFFAOYSA-N	-1	0	268.273	0.533	20	30		CCEDRM
C=CCN(CC(=O)[O-])C(=O)N[C@H](C)c1ccnn1C	ZINC000864553325	613643241	/nfs/dbraw/zinc/64/32/41/613643241.db2.gz	NWJKEKJJNLOQBW-SECBINFHSA-N	-1	0	266.301	0.763	20	30		CCEDRM
C=CCN(CC(=O)[O-])C(=O)[C@H](O)c1cccc(OC)c1	ZINC000909515542	613643256	/nfs/dbraw/zinc/64/32/56/613643256.db2.gz	XRXKIVFOHJUBFD-CYBMUJFWSA-N	-1	0	279.292	0.828	20	30		CCEDRM
C=CCN(CC(=O)[O-])C(=O)[C@@H]1CCc2nnn(C)c2C1	ZINC000909516640	613643291	/nfs/dbraw/zinc/64/32/91/613643291.db2.gz	LLEOAFYUKIFQSH-SECBINFHSA-N	-1	0	278.312	0.019	20	30		CCEDRM
C=CCN(CC(=O)[O-])C(=O)c1cc2n(n1)CCCC2	ZINC000909515483	613643632	/nfs/dbraw/zinc/64/36/32/613643632.db2.gz	UPJMIUWHUIYQDC-UHFFFAOYSA-N	-1	0	263.297	0.932	20	30		CCEDRM
C=CCN(CC(=O)[O-])c1nc(C)nc2c1cnn2C	ZINC000910402493	613644132	/nfs/dbraw/zinc/64/41/32/613644132.db2.gz	ODMUNURLHNGGHL-UHFFFAOYSA-N	-1	0	261.285	0.749	20	30		CCEDRM
CC#CCN[C@H](C(N)=O)c1ccc(-c2nn[nH]n2)cc1	ZINC000823943076	613645209	/nfs/dbraw/zinc/64/52/09/613645209.db2.gz	MLMANSLZTXODDY-NSHDSACASA-N	-1	0	270.296	0.006	20	30		CCEDRM
CC#CCS(=O)(=O)[N-]C(=O)COCCc1ccccc1	ZINC000810771737	613645937	/nfs/dbraw/zinc/64/59/37/613645937.db2.gz	OAOUBRSRXJCDGL-UHFFFAOYSA-N	-1	0	295.360	0.715	20	30		CCEDRM
CC#CCS(=O)(=O)[N-]C(=O)Cc1cccc([N+](=O)[O-])c1	ZINC000810771127	613646138	/nfs/dbraw/zinc/64/61/38/613646138.db2.gz	GOYDBLDMKYQVSW-UHFFFAOYSA-N	-1	0	296.304	0.607	20	30		CCEDRM
CC#CCS(=O)(=O)[N-]C(=O)[C@@H]1C[C@H]1C1CCC1	ZINC000845545953	613646645	/nfs/dbraw/zinc/64/66/45/613646645.db2.gz	UEVXWAVQEGXGMH-WDEREUQCSA-N	-1	0	255.339	0.892	20	30		CCEDRM
CC#CCS(=O)(=O)[N-]C(=O)[C@@H](OCC)C(C)C	ZINC000860720636	613646673	/nfs/dbraw/zinc/64/66/73/613646673.db2.gz	IWUHTHFVFJHTEL-JTQLQIEISA-N	-1	0	261.343	0.517	20	30		CCEDRM
CC#CCS(=O)(=O)[N-]C(=O)c1ccc([N+](=O)[O-])[nH]1	ZINC000810774218	613647376	/nfs/dbraw/zinc/64/73/76/613647376.db2.gz	FOTJWHRQFPMPQC-UHFFFAOYSA-N	-1	0	271.254	0.006	20	30		CCEDRM
CC#CCS(=O)(=O)[N-]C(=O)c1cc(C)[nH]c1C	ZINC000810774563	613647592	/nfs/dbraw/zinc/64/75/92/613647592.db2.gz	KDYSJWBPBYUAJU-UHFFFAOYSA-N	-1	0	254.311	0.714	20	30		CCEDRM
C=CCN(CN1C[C@@H](NC(=O)[O-])CC1=O)C(C)C	ZINC000833788336	613651352	/nfs/dbraw/zinc/65/13/52/613651352.db2.gz	VHHYYMZTQYUVRJ-JTQLQIEISA-N	-1	0	255.318	0.709	20	30		CCEDRM
CC(=NNCC(N)=O)c1cccc(O[C@@H](C)C(=O)[O-])c1	ZINC000814904052	613655259	/nfs/dbraw/zinc/65/52/59/613655259.db2.gz	OVFRYGLKFWKKKB-VIFPVBQESA-N	-1	0	279.296	0.337	20	30		CCEDRM
C=CCNC(=O)C(=O)Nc1ccc(F)cc1C(=O)[O-]	ZINC000833377417	613845051	/nfs/dbraw/zinc/84/50/51/613845051.db2.gz	WDTNIXPANDCYFN-UHFFFAOYSA-N	-1	0	266.228	0.765	20	30		CCEDRM
C=CCNC(=O)CN1CC[C@H]2CC[C@@H](C1)N2C(=O)[O-]	ZINC000823506847	613846002	/nfs/dbraw/zinc/84/60/02/613846002.db2.gz	OCCWGTFEKOXYLY-MNOVXSKESA-N	-1	0	267.329	0.505	20	30		CCEDRM
C=CCNC(=O)C(C#N)=C([O-])c1ccc(C(N)=O)cc1	ZINC000916917334	613852880	/nfs/dbraw/zinc/85/28/80/613852880.db2.gz	ISEDHACLXYMYIA-NSHDSACASA-N	-1	0	271.276	0.410	20	30		CCEDRM
C=CCNC(=O)C(C#N)=C([O-])c1ccc(NC(N)=O)cc1	ZINC000916918657	613852933	/nfs/dbraw/zinc/85/29/33/613852933.db2.gz	OTWNKIFVPRMYNN-NSHDSACASA-N	-1	0	286.291	0.802	20	30		CCEDRM
C=CCNC(=O)C(C#N)=C([O-])c1csc(NC(C)=O)n1	ZINC000916918894	613853041	/nfs/dbraw/zinc/85/30/41/613853041.db2.gz	XDSJQYMAYHKION-QMMMGPOBSA-N	-1	0	292.320	0.726	20	30		CCEDRM
C=CCOCC(=O)N1CCC[C@H](n2cc(C(=O)[O-])nn2)C1	ZINC000909856816	613879067	/nfs/dbraw/zinc/87/90/67/613879067.db2.gz	SYBDVWWTPLMWGS-JTQLQIEISA-N	-1	0	294.311	0.342	20	30		CCEDRM
C=CCOCC(=O)O[C@H]1CN(C(=O)[O-])CCC1=O	ZINC000823516403	613879595	/nfs/dbraw/zinc/87/95/95/613879595.db2.gz	JHQGZMXUYQPLRP-VIFPVBQESA-N	-1	0	257.242	0.054	20	30		CCEDRM
C=CCOC[C@@H](NC(=O)[C@@H](OC)C(C)C)C(=O)[O-]	ZINC000909771313	613881777	/nfs/dbraw/zinc/88/17/77/613881777.db2.gz	MQQZSTYUSNPMKD-ZJUUUORDSA-N	-1	0	259.302	0.429	20	30		CCEDRM
C=CCOC[C@@H](NC(=O)c1ccncc1C)C(=O)[O-]	ZINC000909769922	613881857	/nfs/dbraw/zinc/88/18/57/613881857.db2.gz	COSUSFPSPIYRQY-LLVKDONJSA-N	-1	0	264.281	0.776	20	30		CCEDRM
C=CCOC[C@@H](NC(=O)c1ccn(C)c1)C(=O)[O-]	ZINC000909772897	613881935	/nfs/dbraw/zinc/88/19/35/613881935.db2.gz	XSVIENCRYAHUCH-SNVBAGLBSA-N	-1	0	252.270	0.411	20	30		CCEDRM
C=CCOC[C@H](NC(=O)N[C@@H]1C[C@H]2C[C@H]2C1)C(=O)[O-]	ZINC000909171451	613882421	/nfs/dbraw/zinc/88/24/21/613882421.db2.gz	OQABEOKJSOWDRO-VLEAKVRGSA-N	-1	0	268.313	0.740	20	30		CCEDRM
C=CCOC[C@H](NC(=O)[C@@H](O)Cc1ccccc1)C(=O)[O-]	ZINC000909769171	613882465	/nfs/dbraw/zinc/88/24/65/613882465.db2.gz	BLRKNDMEYRIEFW-STQMWFEESA-N	-1	0	293.319	0.362	20	30		CCEDRM
C=CCO[N-]C(=O)[C@H]1CS[C@@]2(C)CCC(=O)N12	ZINC000837043049	613884481	/nfs/dbraw/zinc/88/44/81/613884481.db2.gz	JZCNATXIJIJYTG-KCJUWKMLSA-N	-1	0	256.327	0.674	20	30		CCEDRM
C=CCO[N-]C(=O)[C@]1(c2ccccc2)CNC(=O)C1	ZINC000854852456	613884489	/nfs/dbraw/zinc/88/44/89/613884489.db2.gz	OAKOZSXNUVVRCV-AWEZNQCLSA-N	-1	0	260.293	0.678	20	30		CCEDRM
C=CCS(=O)(=O)[N-]C(=O)[C@H](C)Cn1ccc(C)n1	ZINC000870256575	613886204	/nfs/dbraw/zinc/88/62/04/613886204.db2.gz	JFDKBMNAZOXRRP-SECBINFHSA-N	-1	0	271.342	0.460	20	30		CCEDRM
C=CCS(=O)(=O)[N-]C(=O)[C@]1(C)COc2ccccc2O1	ZINC000860631248	613886244	/nfs/dbraw/zinc/88/62/44/613886244.db2.gz	PXYLKOORTMDMQZ-ZDUSSCGKSA-N	-1	0	297.332	0.849	20	30		CCEDRM
C=CCS(=O)(=O)[N-]C(=O)c1ccnn1C(F)F	ZINC000850913008	613886344	/nfs/dbraw/zinc/88/63/44/613886344.db2.gz	JIIJDUCLFORLGE-UHFFFAOYSA-N	-1	0	265.241	0.524	20	30		CCEDRM
C=CCS(=O)(=O)[N-]C(=O)c1cccc(C(=O)NC)c1	ZINC000132749077	613886374	/nfs/dbraw/zinc/88/63/74/613886374.db2.gz	XFHBTNNMFGNMFD-UHFFFAOYSA-N	-1	0	282.321	0.292	20	30		CCEDRM
CC(C)NC(=O)[C@@H](C#N)C(=O)[C@H](C)CN(C)C(=O)[O-]	ZINC000824370007	613930747	/nfs/dbraw/zinc/93/07/47/613930747.db2.gz	YDHUASMAHFVIKZ-BDAKNGLRSA-N	-1	0	269.301	0.466	20	30		CCEDRM
CC(C)NC(=O)[C@H](C#N)C(=O)[C@@H](C)CN(C)C(=O)[O-]	ZINC000824370008	613933723	/nfs/dbraw/zinc/93/37/23/613933723.db2.gz	YDHUASMAHFVIKZ-DTWKUNHWSA-N	-1	0	269.301	0.466	20	30		CCEDRM
CC(C)NC(=O)[C@H](C#N)C(=O)CC1(NC(=O)[O-])CCC1	ZINC000824369546	613933811	/nfs/dbraw/zinc/93/38/11/613933811.db2.gz	SJYXIYKUHKLZFS-SECBINFHSA-N	-1	0	281.312	0.800	20	30		CCEDRM
CC(C)(C)OCCNC(=O)[C@](C)(C#N)CC(=O)[O-]	ZINC000819927842	614011422	/nfs/dbraw/zinc/01/14/22/614011422.db2.gz	WAZXDRFLAIYFLH-LBPRGKRZSA-N	-1	0	256.302	0.922	20	30		CCEDRM
CC(C)OCCCNC(=O)C(C#N)=C([O-])c1cn(C)nn1	ZINC000808978074	614012642	/nfs/dbraw/zinc/01/26/42/614012642.db2.gz	FLUIFHPPLYZDFE-JTQLQIEISA-N	-1	0	293.327	0.069	20	30		CCEDRM
CC(C)OCCO[N-]C(=O)C(=O)Nc1cccc(C#N)c1	ZINC000813059024	614018155	/nfs/dbraw/zinc/01/81/55/614018155.db2.gz	RTHLSFKZLMAGKT-UHFFFAOYSA-N	-1	0	291.307	0.970	20	30		CCEDRM
CC(C)Oc1ccc(C(=O)[N-]S(=O)(=O)CCC#N)nc1	ZINC000835408604	614055599	/nfs/dbraw/zinc/05/55/99/614055599.db2.gz	KERFLYOXHWHXSO-UHFFFAOYSA-N	-1	0	297.336	0.842	20	30		CCEDRM
CC(C)CCO[C@@H](C)C(=O)[N-]S(=O)(=O)CCC#N	ZINC000835410958	614056515	/nfs/dbraw/zinc/05/65/15/614056515.db2.gz	HRPRWCIRVIOZJB-JTQLQIEISA-N	-1	0	276.358	0.797	20	30		CCEDRM
CC(C)(CNC(=O)[O-])C(=O)NCC1CCN(CC#N)CC1	ZINC000823955353	614102278	/nfs/dbraw/zinc/10/22/78/614102278.db2.gz	CSSAJESFVOYRMX-UHFFFAOYSA-N	-1	0	296.371	0.632	20	30		CCEDRM
CC(C)(CNC(=O)[C@H](O)c1ccc(C#N)cc1)C(=O)[O-]	ZINC000833458394	614106856	/nfs/dbraw/zinc/10/68/56/614106856.db2.gz	RSPYKMPURZOBMA-LLVKDONJSA-N	-1	0	276.292	0.819	20	30		CCEDRM
CC(C)(CNC(=O)c1cc(C#N)c[nH]1)NC(=O)[O-]	ZINC000823997395	614108073	/nfs/dbraw/zinc/10/80/73/614108073.db2.gz	NZKKTKUJVDGQAG-UHFFFAOYSA-N	-1	0	250.258	0.662	20	30		CCEDRM
CC(C)CNC(=O)[C@H](C)OC(=O)[C@](C)(C#N)CC(=O)[O-]	ZINC000819976805	614142554	/nfs/dbraw/zinc/14/25/54/614142554.db2.gz	GBNNJGHDTXDKOJ-ZANVPECISA-N	-1	0	284.312	0.695	20	30		CCEDRM
CC(C)(O)CO[N-]C(=O)COc1cccc(C#N)c1	ZINC000839740860	614195450	/nfs/dbraw/zinc/19/54/50/614195450.db2.gz	JIGBBRNKBKVAPO-UHFFFAOYSA-N	-1	0	264.281	0.756	20	30		CCEDRM
CC(=O)Nc1ccsc1C=Nn1c(=O)[n-][nH]c1=O	ZINC000814231285	614209132	/nfs/dbraw/zinc/20/91/32/614209132.db2.gz	BPKSAYMICHOLEU-UHFFFAOYSA-N	-1	0	267.270	0.591	20	30		CCEDRM
CC(C)C[C@H](C#N)NC(=O)C[C@H]1CN(C(=O)[O-])CCO1	ZINC000824170879	614210101	/nfs/dbraw/zinc/21/01/01/614210101.db2.gz	UDABRHHDJJCASB-MNOVXSKESA-N	-1	0	283.328	0.810	20	30		CCEDRM
CC(=O)O[C@@H]1CCCN(C(=O)[C@](C)(C#N)CC(=O)[O-])C1	ZINC000819796762	614227968	/nfs/dbraw/zinc/22/79/68/614227968.db2.gz	JWQSNNPOFYCQGX-MFKMUULPSA-N	-1	0	282.296	0.545	20	30		CCEDRM
CC(C)Cn1[n-]c(CC(=O)N2CCOC[C@H]2C#N)cc1=O	ZINC000933558852	614235737	/nfs/dbraw/zinc/23/57/37/614235737.db2.gz	HUYIKZLMVIJURZ-GFCCVEGCSA-N	-1	0	292.339	0.126	20	30		CCEDRM
CC(C)[C@H](N[C@@H](C(=O)[O-])c1cccc(C#N)c1)C(N)=O	ZINC000826715810	614251029	/nfs/dbraw/zinc/25/10/29/614251029.db2.gz	GOZVEECMNDQQNH-NWDGAFQWSA-N	-1	0	275.308	0.783	20	30		CCEDRM
CC(C)(C#N)CC(=O)[N-]S(=O)(=O)[C@@H]1COC(C)(C)C1	ZINC000861138202	614285154	/nfs/dbraw/zinc/28/51/54/614285154.db2.gz	ATRFKFIGYGBACE-VIFPVBQESA-N	-1	0	288.369	0.940	20	30		CCEDRM
CC(C)c1cc(C(=O)N2CCN(C(=O)[O-])C[C@@H]2C#N)[nH]n1	ZINC000824453784	614298383	/nfs/dbraw/zinc/29/83/83/614298383.db2.gz	WETZGPPPHBUFRR-VIFPVBQESA-N	-1	0	291.311	0.861	20	30		CCEDRM
CC(C)(C(=O)NCc1nnn[n-]1)c1ccc(C#N)cc1	ZINC000860839552	614298712	/nfs/dbraw/zinc/29/87/12/614298712.db2.gz	ZAPHAEGVLDFLEE-UHFFFAOYSA-N	-1	0	270.296	0.665	20	30		CCEDRM
CCCn1nccc1/C=C/C(=O)c1cnc([O-])n(C)c1=O	ZINC000853004237	614545115	/nfs/dbraw/zinc/54/51/15/614545115.db2.gz	BNUXBXILHURPSX-SNAWJCMRSA-N	-1	0	288.307	0.989	20	30		CCEDRM
CCC1(C(=O)[N-]S(=O)(=O)CC2(C#N)CC2)COC1	ZINC000793203721	614662628	/nfs/dbraw/zinc/66/26/28/614662628.db2.gz	BXQWXYHPJGHRRL-UHFFFAOYSA-N	-1	0	272.326	0.163	20	30		CCEDRM
C[C@@](C#N)(CC(=O)[O-])C(=O)NCCN1CCOCC1(C)C	ZINC000819832223	614718963	/nfs/dbraw/zinc/71/89/63/614718963.db2.gz	AKMNHEJXUPAULG-AWEZNQCLSA-N	-1	0	297.355	0.218	20	30		CCEDRM
CCCNC(=O)[C@H](C)OC(=O)[C@@](C)(C#N)CC(=O)[O-]	ZINC000820321091	614873095	/nfs/dbraw/zinc/87/30/95/614873095.db2.gz	GVAQUSRAAMSEIX-QPUJVOFHSA-N	-1	0	270.285	0.449	20	30		CCEDRM
CCCCCCNC(=O)C(C#N)=C([O-])c1cn(C)nn1	ZINC000808978008	614912292	/nfs/dbraw/zinc/91/22/92/614912292.db2.gz	DLIUALPPKDPWNW-SNVBAGLBSA-N	-1	0	277.328	0.834	20	30		CCEDRM
CC1=CC(=O)C(=C([O-])C=Cc2cn(C)cn2)C(=O)O1	ZINC000800792689	614968400	/nfs/dbraw/zinc/96/84/00/614968400.db2.gz	WCVSCZZQOIHNQK-VSQXVHSFSA-N	-1	0	260.249	0.648	20	30		CCEDRM
CC1CC(C#N)(C(=O)N2CC[C@H](NC(=O)[O-])C2)C1	ZINC000825779166	615011176	/nfs/dbraw/zinc/01/11/76/615011176.db2.gz	WINZMOCVCYKSPZ-XEVUQIKYSA-N	-1	0	251.286	0.795	20	30		CCEDRM
CCN(CCC#N)C(=O)CN(CC(=O)[O-])C1CCOCC1	ZINC000829692328	615021207	/nfs/dbraw/zinc/02/12/07/615021207.db2.gz	GRDIJHCGBFAPSG-UHFFFAOYSA-N	-1	0	297.355	0.314	20	30		CCEDRM
CCN(CCC#N)C(=O)C[C@@H]1CN(C(=O)[O-])CCO1	ZINC000827112010	615023096	/nfs/dbraw/zinc/02/30/96/615023096.db2.gz	VBDCOICBFBATBE-SNVBAGLBSA-N	-1	0	269.301	0.517	20	30		CCEDRM
CCNC(=O)CN[C@H](C(=O)[O-])c1cccc(C#N)c1	ZINC000829790615	615050446	/nfs/dbraw/zinc/05/04/46/615050446.db2.gz	XNLDLNSYAAUWKB-LBPRGKRZSA-N	-1	0	261.281	0.410	20	30		CCEDRM
CCN(Cc1ccccc1)C(=O)CN(CC#N)CC(=O)[O-]	ZINC000829723040	615068265	/nfs/dbraw/zinc/06/82/65/615068265.db2.gz	YCPGKOYPNCGQDR-UHFFFAOYSA-N	-1	0	289.335	0.945	20	30		CCEDRM
CCNc1ccc(C#N)cc1NCC(=O)NCC(=O)[O-]	ZINC000820360889	615139638	/nfs/dbraw/zinc/13/96/38/615139638.db2.gz	JLQXXLIDENEXKV-UHFFFAOYSA-N	-1	0	276.296	0.603	20	30		CCEDRM
CCOC(=O)/C=C\Cn1cc(C(=O)[O-])cc(C#N)c1=O	ZINC000829837501	615148098	/nfs/dbraw/zinc/14/80/98/615148098.db2.gz	HINFMHIXRRRYKP-ARJAWSKDSA-N	-1	0	276.248	0.537	20	30		CCEDRM
CCOC(=O)C(C)(C)CC(=O)[N-]S(=O)(=O)CCC#N	ZINC000835410709	615150057	/nfs/dbraw/zinc/15/00/57/615150057.db2.gz	ZHBLLQYKYNWRNI-UHFFFAOYSA-N	-1	0	290.341	0.325	20	30		CCEDRM
CCN1CCO[C@H](C(=O)[N-]Oc2cccc(C#N)c2)C1	ZINC000870692354	615183583	/nfs/dbraw/zinc/18/35/83/615183583.db2.gz	BBDWSOROYCWRTR-ZDUSSCGKSA-N	-1	0	275.308	0.689	20	30		CCEDRM
CCOCCC(=O)[N-]S(=O)(=O)c1cncc(C#N)c1	ZINC000813980715	615236094	/nfs/dbraw/zinc/23/60/94/615236094.db2.gz	KQGXLZNXLJMCPU-UHFFFAOYSA-N	-1	0	283.309	0.185	20	30		CCEDRM
CCOCCO[C@H](C)C(=O)N1CCN(C(=O)[O-])C[C@@H]1C#N	ZINC000827405226	615293706	/nfs/dbraw/zinc/29/37/06/615293706.db2.gz	MFBPNYHEQRTCSM-MNOVXSKESA-N	-1	0	299.327	0.142	20	30		CCEDRM
CCOCCS(=O)(=O)[N-]C(=O)CC1(C#N)CC1	ZINC000815945113	615296494	/nfs/dbraw/zinc/29/64/94/615296494.db2.gz	VRTHHLHKXPLTMR-UHFFFAOYSA-N	-1	0	260.315	0.163	20	30		CCEDRM
CCOCCS(=O)(=O)[N-]C(=O)c1ccc(C)c(C#N)c1	ZINC000799610193	615297203	/nfs/dbraw/zinc/29/72/03/615297203.db2.gz	WZOOYIFUYDAEQY-UHFFFAOYSA-N	-1	0	296.348	0.963	20	30		CCEDRM
CCS(=O)(=O)[N-]C(=O)c1cc(C)c(C#N)cn1	ZINC000838804462	615340065	/nfs/dbraw/zinc/34/00/65/615340065.db2.gz	WVBJIBKBZSQPNC-UHFFFAOYSA-N	-1	0	253.283	0.341	20	30		CCEDRM
CCO[N-]C(=O)CNC(=O)N[C@@H]1CC[C@H](C#N)C1	ZINC000845536748	615365967	/nfs/dbraw/zinc/36/59/67/615365967.db2.gz	PZVPBGAQXJXZSC-DTWKUNHWSA-N	-1	0	254.290	0.046	20	30		CCEDRM
CCO[N-]C(=O)CNC(=O)Nc1ccc(C#N)cc1	ZINC000844484178	615367248	/nfs/dbraw/zinc/36/72/48/615367248.db2.gz	SGMFNWBFXLKMSW-UHFFFAOYSA-N	-1	0	262.269	0.747	20	30		CCEDRM
CCOC(=O)c1c(C)[nH]c(C=Nn2c(=O)[n-][nH]c2=O)c1C	ZINC000814232132	615397465	/nfs/dbraw/zinc/39/74/65/615397465.db2.gz	WKKTVJJIMIUYKE-UHFFFAOYSA-N	-1	0	293.283	0.693	20	30		CCEDRM
CCO[C@@H]1C[C@@H]1C(=O)N1CCN(C(=O)[O-])C[C@H]1C#N	ZINC000827389584	615438296	/nfs/dbraw/zinc/43/82/96/615438296.db2.gz	URBAIRTXSIDJPA-KXUCPTDWSA-N	-1	0	267.285	0.126	20	30		CCEDRM
CCOc1ccc(O)c(/C=N\CC(=O)[N-]OC)c1	ZINC000899227007	615511779	/nfs/dbraw/zinc/51/17/79/615511779.db2.gz	CQASEVNCJSMKQG-QPEQYQDCSA-N	-1	0	252.270	0.887	20	30		CCEDRM
CC[C@H](C#N)NS(=O)(=O)c1csnc1C(=O)[O-]	ZINC000833636263	615599940	/nfs/dbraw/zinc/59/99/40/615599940.db2.gz	MWGMLVHGKLDVIZ-RXMQYKEDSA-N	-1	0	275.311	0.422	20	30		CCEDRM
CC[C@H](C)NC(=O)[C@H](C)OC(=O)[C@@](C)(C#N)CC(=O)[O-]	ZINC000820266579	615679244	/nfs/dbraw/zinc/67/92/44/615679244.db2.gz	MIWZPGPCIBJYFH-MWODSPESSA-N	-1	0	284.312	0.837	20	30		CCEDRM
CCc1nnc2n1CCN(C(=O)[C@@](C)(C#N)CC(=O)[O-])C2	ZINC000820504100	615820360	/nfs/dbraw/zinc/82/03/60/615820360.db2.gz	UIEXJICFXDDIDG-CYBMUJFWSA-N	-1	0	291.311	0.187	20	30		CCEDRM
CN(C(=O)[O-])[C@@H]1CCN(CC(=O)N[C@@](C)(C#N)C2CC2)C1	ZINC000827881502	615844393	/nfs/dbraw/zinc/84/43/93/615844393.db2.gz	FBBUDRULTFJESY-RISCZKNCSA-N	-1	0	294.355	0.479	20	30		CCEDRM
CN(C(=O)[C@@H]1CN(C(=O)[O-])CCO1)c1cccc(C#N)c1	ZINC000827747620	615862910	/nfs/dbraw/zinc/86/29/10/615862910.db2.gz	ZSBLKISDXFUPOB-LBPRGKRZSA-N	-1	0	289.291	0.900	20	30		CCEDRM
CCn1cc(/C=C\C(=O)c2cnc([O-])n(C)c2=O)c(C)n1	ZINC000899364098	615929997	/nfs/dbraw/zinc/92/99/97/615929997.db2.gz	XFPOHHSFDZDXIK-WAYWQWQTSA-N	-1	0	288.307	0.907	20	30		CCEDRM
CC[S@](C)(=O)=NS(=O)(=O)[N-][C@H](C#N)C(C)(C)C	ZINC000906059925	616022645	/nfs/dbraw/zinc/02/26/45/616022645.db2.gz	CPUMLUKKYUQJHM-BCTVWOGZSA-N	-1	0	281.403	0.877	20	30		CCEDRM
CN(CC(=O)[N-]S(=O)(=O)CCC#N)c1ccccc1	ZINC000835409110	616048367	/nfs/dbraw/zinc/04/83/67/616048367.db2.gz	RPWYSRFFZGBVLN-UHFFFAOYSA-N	-1	0	281.337	0.482	20	30		CCEDRM
CN(CCC#N)C(=O)C[C@@H]1CN(C(=O)[O-])CCO1	ZINC000828273374	616067561	/nfs/dbraw/zinc/06/75/61/616067561.db2.gz	MUZLLLRBVQTVNL-SECBINFHSA-N	-1	0	255.274	0.127	20	30		CCEDRM
CN(CCNC(=O)[C@](C)(C#N)CC(=O)[O-])CC(F)(F)F	ZINC000820597188	616095453	/nfs/dbraw/zinc/09/54/53/616095453.db2.gz	HHJCABLGFGULAZ-JTQLQIEISA-N	-1	0	295.261	0.601	20	30		CCEDRM
CN(Cc1nc(=O)o[n-]1)c1nc(Cl)c(C#N)s1	ZINC000882510575	616102375	/nfs/dbraw/zinc/10/23/75/616102375.db2.gz	DXMYABZVKWHXOG-UHFFFAOYSA-N	-1	0	271.689	0.981	20	30		CCEDRM
CN([C@H](C(=O)[O-])c1ccc(C#N)cc1)[C@H]1CCNC1=O	ZINC000833690689	616118056	/nfs/dbraw/zinc/11/80/56/616118056.db2.gz	AVBHJLYDGUTBIN-RYUDHWBXSA-N	-1	0	273.292	0.504	20	30		CCEDRM
CN([C@H]1C[C@@H](C(=O)[O-])C1)S(=O)(=O)CC(C)(C)C#N	ZINC000905998439	616118065	/nfs/dbraw/zinc/11/80/65/616118065.db2.gz	XSVXPAPUMNWMGX-DTORHVGOSA-N	-1	0	274.342	0.661	20	30		CCEDRM
CN(C[C@@H]1CCCN1C(=O)CSCC#N)C(=O)[O-]	ZINC000828191071	616136220	/nfs/dbraw/zinc/13/62/20/616136220.db2.gz	BPSFBLSCGHLXOC-VIFPVBQESA-N	-1	0	271.342	0.844	20	30		CCEDRM
CN(C[C@@H]1CCOC1)C(=O)[C@@](C)(C#N)CC(=O)[O-]	ZINC000820579879	616144229	/nfs/dbraw/zinc/14/42/29/616144229.db2.gz	LXWFSVCWAHLKBN-JOYOIKCWSA-N	-1	0	254.286	0.486	20	30		CCEDRM
CN1CCN([C@H](C(=O)[O-])c2cccc(C#N)c2)CC1=O	ZINC000830949447	616246685	/nfs/dbraw/zinc/24/66/85/616246685.db2.gz	FAIVYCVIPVGCKX-ZDUSSCGKSA-N	-1	0	273.292	0.458	20	30		CCEDRM
COC(C)(C)CCS(=O)(=O)[N-]C(=O)[C@@H](C)CC#N	ZINC000850989443	616293352	/nfs/dbraw/zinc/29/33/52/616293352.db2.gz	BFYRXYXBVXIUGV-VIFPVBQESA-N	-1	0	276.358	0.797	20	30		CCEDRM
COCCNC(=O)C(C#N)=C([O-])c1ccc(F)s1	ZINC000850758194	616496551	/nfs/dbraw/zinc/49/65/51/616496551.db2.gz	ZWTXCGCVCXLBOF-SSDOTTSWSA-N	-1	0	270.285	0.972	20	30		CCEDRM
COCCO[N-]C(=O)C(=O)Nc1ccc(C#N)c(F)c1	ZINC000810408018	616572756	/nfs/dbraw/zinc/57/27/56/616572756.db2.gz	RQUYQVAVYDOXLY-UHFFFAOYSA-N	-1	0	281.243	0.330	20	30		CCEDRM
COC(=O)[C@H](C)CC=Nn1c(=O)c(C)n[n-]c1=S	ZINC000814213838	616573350	/nfs/dbraw/zinc/57/33/50/616573350.db2.gz	VMQFBHRGIALISB-ZCFIWIBFSA-N	-1	0	270.314	0.269	20	30		CCEDRM
COC(=O)[C@H](C)CN(C)C(=O)[C@](C)(C#N)CC(=O)[O-]	ZINC000820653404	616574484	/nfs/dbraw/zinc/57/44/84/616574484.db2.gz	HLQXEFOXYWCGAS-PELKAZGASA-N	-1	0	270.285	0.258	20	30		CCEDRM
COC(=O)CS(=O)(=O)[N-]C(=O)c1ccc(C)c(C#N)c1	ZINC000838800039	616621933	/nfs/dbraw/zinc/62/19/33/616621933.db2.gz	MIBVMAAJGKCNNT-UHFFFAOYSA-N	-1	0	296.304	0.099	20	30		CCEDRM
COC[C@H](C)S(=O)(=O)[N-]C(=O)c1cc(C)c(C#N)cn1	ZINC000838802602	616630442	/nfs/dbraw/zinc/63/04/42/616630442.db2.gz	NLRLODNJBJSGBL-VIFPVBQESA-N	-1	0	297.336	0.356	20	30		CCEDRM
COC[C@H](NC(=O)[C@]1(C#N)CC12CCCC2)C(=O)[O-]	ZINC000923077472	616713288	/nfs/dbraw/zinc/71/32/88/616713288.db2.gz	RORLSAATOBJWJE-TVQRCGJNSA-N	-1	0	266.297	0.676	20	30		CCEDRM
COCC(COC)NN=Cc1ccc(O)c(C(=O)[O-])c1	ZINC000863194885	616736785	/nfs/dbraw/zinc/73/67/85/616736785.db2.gz	UNCNWVVVOLAOGJ-UHFFFAOYSA-N	-1	0	282.296	0.675	20	30		CCEDRM
CNC(=O)C(C#N)=C([O-])c1ccnn1CC1CCC1	ZINC000870155627	616778148	/nfs/dbraw/zinc/77/81/48/616778148.db2.gz	XPQUXQNQQGJDLU-JTQLQIEISA-N	-1	0	260.297	0.752	20	30		CCEDRM
CNC(=O)C(C#N)=C([O-])c1cn2c(n1)C[C@@H](C)CC2	ZINC000870154383	616839340	/nfs/dbraw/zinc/83/93/40/616839340.db2.gz	KKPXOXSMGNHBFN-DTWKUNHWSA-N	-1	0	260.297	0.534	20	30		CCEDRM
CNC(=O)C(C#N)=C([O-])c1cncc(N2CCCC2)n1	ZINC000870152696	616839485	/nfs/dbraw/zinc/83/94/85/616839485.db2.gz	CTQJOQDZBOXPNR-SECBINFHSA-N	-1	0	273.296	0.145	20	30		CCEDRM
COC(=O)c1ccc(C(=O)N(CC#N)CC(=O)[O-])s1	ZINC000737678390	616879010	/nfs/dbraw/zinc/87/90/10/616879010.db2.gz	QHNTUHJCKOYCIC-UHFFFAOYSA-N	-1	0	282.277	0.585	20	30		CCEDRM
COCCCNC(=O)C(C#N)=C([O-])c1cscn1	ZINC000103329633	616902083	/nfs/dbraw/zinc/90/20/83/616902083.db2.gz	MTQKIMNJOUHTMO-MRVPVSSYSA-N	-1	0	267.310	0.618	20	30		CCEDRM
COCCCNC(=O)C(C#N)=C([O-])c1ccc(OC)o1	ZINC000847621497	616902234	/nfs/dbraw/zinc/90/22/34/616902234.db2.gz	MSUQWKWJKSPDDI-SECBINFHSA-N	-1	0	280.280	0.763	20	30		CCEDRM
COCc1cncc(C(=O)[N-]S(=O)(=O)CCC#N)c1	ZINC000851016583	616915288	/nfs/dbraw/zinc/91/52/88/616915288.db2.gz	XYSVPWHEAKUXSJ-UHFFFAOYSA-N	-1	0	283.309	0.201	20	30		CCEDRM
CO[C@@]1(C(=O)[O-])CCN(C(=O)C2(C#N)CC(C)C2)C1	ZINC000923099308	616922037	/nfs/dbraw/zinc/92/20/37/616922037.db2.gz	XKDHHSONYSRAEW-LDUAJXOISA-N	-1	0	266.297	0.628	20	30		CCEDRM
COCCCOc1cccc(C=Nn2c(=O)[n-][nH]c2=O)c1	ZINC000814233502	616926647	/nfs/dbraw/zinc/92/66/47/616926647.db2.gz	SVGGJQKVISYTLU-UHFFFAOYSA-N	-1	0	292.295	0.987	20	30		CCEDRM
CNC(=S)NN=C(C)c1ccc(-c2nn[nH]n2)c(F)c1	ZINC000826073581	616930726	/nfs/dbraw/zinc/93/07/26/616930726.db2.gz	XZKMCWLSAGXAKW-UHFFFAOYSA-N	-1	0	293.331	0.824	20	30		CCEDRM
COCc1nc(CN(CC#N)CC(=O)[O-])cs1	ZINC000831827240	616934084	/nfs/dbraw/zinc/93/40/84/616934084.db2.gz	SNNYRRNHIUHGLZ-UHFFFAOYSA-N	-1	0	255.299	0.700	20	30		CCEDRM
COC(=O)[C@@H](C)[C@@H](C)S(=O)(=O)[N-]C(=O)CCCC#N	ZINC000813085573	616952066	/nfs/dbraw/zinc/95/20/66/616952066.db2.gz	LICNWGPSGKAQKJ-DTWKUNHWSA-N	-1	0	290.341	0.324	20	30		CCEDRM
COCCN(CC(=O)[O-])C(=O)c1c[nH]c(C#N)c1	ZINC000820719284	616982246	/nfs/dbraw/zinc/98/22/46/616982246.db2.gz	SNNLGGCTDIQGCL-UHFFFAOYSA-N	-1	0	251.242	0.060	20	30		CCEDRM
COC[C@@](C)(O)C(=O)O[C@@H](C(=O)[O-])c1ccc(C#N)cc1	ZINC000831638058	617028186	/nfs/dbraw/zinc/02/81/86/617028186.db2.gz	QFTIFZSVSWQZLK-BXUZGUMPSA-N	-1	0	293.275	0.625	20	30		CCEDRM
CO[C@H](C)CC(=O)N1CCN(C(=O)[O-])C[C@@H]1C#N	ZINC000828825221	617049953	/nfs/dbraw/zinc/04/99/53/617049953.db2.gz	YOVQLSVSMPKSQV-BDAKNGLRSA-N	-1	0	255.274	0.126	20	30		CCEDRM
CON=C(C(=O)[N-]OCCSC)c1csc(N)n1	ZINC000822594545	617102852	/nfs/dbraw/zinc/10/28/52/617102852.db2.gz	YMCAPEKAIYUUDG-UHFFFAOYSA-N	-1	0	290.370	0.487	20	30		CCEDRM
COc1cc(C#N)ccc1Cn1cnc(-c2nnn[n-]2)n1	ZINC000826177191	617152714	/nfs/dbraw/zinc/15/27/14/617152714.db2.gz	WAASHRYOSOJVKG-UHFFFAOYSA-N	-1	0	282.267	0.387	20	30		CCEDRM
CO[C@@H](CC(C)C)C(=O)[N-]S(=O)(=O)CCC#N	ZINC000842353083	617162194	/nfs/dbraw/zinc/16/21/94/617162194.db2.gz	GBVIOFSKBMXWHD-VIFPVBQESA-N	-1	0	262.331	0.407	20	30		CCEDRM
CO[C@@H]1CCCC[C@@H]1C(=O)[N-]S(=O)(=O)CCC#N	ZINC000835409710	617171602	/nfs/dbraw/zinc/17/16/02/617171602.db2.gz	KEFFQWGZOJLPTN-VHSXEESVSA-N	-1	0	274.342	0.551	20	30		CCEDRM
C#CCCCCNC(=O)N[C@@](CC)(COC)C(=O)[O-]	ZINC000328546841	623886208	/nfs/dbraw/zinc/88/62/08/623886208.db2.gz	ODEDEOKFKLNSCS-ZDUSSCGKSA-N	-1	0	270.329	0.969	20	30		CCEDRM
Cc1[nH]nc(C(=O)N2CC[C@@H](N(C)CC#N)C2)c1[O-]	ZINC000971362227	624840790	/nfs/dbraw/zinc/84/07/90/624840790.db2.gz	VMHMMFSBLVBNQI-SECBINFHSA-N	-1	0	263.301	0.094	20	30		CCEDRM
C[C@@H]1CN(S(=O)(=O)CC2(C#N)CC2)C[C@H]1CC(=O)[O-]	ZINC000903873798	634673914	/nfs/dbraw/zinc/67/39/14/634673914.db2.gz	XXTBNRVHHLVQHL-NXEZZACHSA-N	-1	0	286.353	0.663	20	30		CCEDRM
N#CC1(CS(=O)(=O)N2CCCC[C@H]2CC(=O)[O-])CC1	ZINC000905190577	634813892	/nfs/dbraw/zinc/81/38/92/634813892.db2.gz	WHFWTLNJGMIGNF-JTQLQIEISA-N	-1	0	286.353	0.949	20	30		CCEDRM
C#CC[C@H](NC(=O)[C@H](OC)c1ccccc1)C(=O)[O-]	ZINC000059983056	631931955	/nfs/dbraw/zinc/93/19/55/631931955.db2.gz	AJTJZNBMKFOCJK-NWDGAFQWSA-N	-1	0	261.277	0.967	20	30		CCEDRM
CS(=O)(=O)[N-]C(=O)[C@H]1CC(=O)N(Cc2ccco2)C1	ZINC000042280018	633898668	/nfs/dbraw/zinc/89/86/68/633898668.db2.gz	PMQSCCRHAAKRSZ-QMMMGPOBSA-N	-1	0	286.309	0.544	20	30		CCEDRM
N#CCCCCS(=O)(=O)N1CCC[C@@H](C#CC(=O)[O-])C1	ZINC000899929645	633924683	/nfs/dbraw/zinc/92/46/83/633924683.db2.gz	HJLDBJCSRMEPDU-LBPRGKRZSA-N	-1	0	298.364	0.810	20	30		CCEDRM
N#Cc1nccnc1N1C[C@@H](C(=O)[O-])[C@H](C2CC2)C1	ZINC000900400238	634011371	/nfs/dbraw/zinc/01/13/71/634011371.db2.gz	KKGPGVMHHUEPKO-VHSXEESVSA-N	-1	0	258.281	0.895	20	30		CCEDRM
O=c1[n-][nH]c(=O)n1N=Cc1nccc2c1CCCC2	ZINC000905469654	634869455	/nfs/dbraw/zinc/86/94/55/634869455.db2.gz	IVSMXFCIEZMLEM-UHFFFAOYSA-N	-1	0	259.269	0.845	20	30		CCEDRM
C[C@@H]1CCN(S(=O)(=O)CC(C)(C)C#N)[C@@H]1C(=O)[O-]	ZINC000905992812	634945558	/nfs/dbraw/zinc/94/55/58/634945558.db2.gz	WZZWTSHTUHBCFU-BDAKNGLRSA-N	-1	0	274.342	0.661	20	30		CCEDRM
N#CCCCS(=O)(=O)N1CC2CCC1(C(=O)[O-])CC2	ZINC000906001236	634947470	/nfs/dbraw/zinc/94/74/70/634947470.db2.gz	YEEAQRCDVKYKNC-UHFFFAOYSA-N	-1	0	286.353	0.949	20	30		CCEDRM
Cc1ccc(S(=O)(=O)N2CC(C#N)C2)cc1C(=O)[O-]	ZINC000906995979	635060087	/nfs/dbraw/zinc/06/00/87/635060087.db2.gz	ASJBCXIZQNTAOL-UHFFFAOYSA-N	-1	0	280.305	0.837	20	30		CCEDRM
C#CCCCC(=O)N[C@@H](C(=O)[O-])C1CCOCC1	ZINC000910015622	635671853	/nfs/dbraw/zinc/67/18/53/635671853.db2.gz	NBDCUZVYIFOMBS-GFCCVEGCSA-N	-1	0	253.298	0.786	20	30		CCEDRM
C=C[C@@](C)(O)C(=O)Nc1ncc(CC(=O)[O-])s1	ZINC000910675300	635820689	/nfs/dbraw/zinc/82/06/89/635820689.db2.gz	QDRJDOXYXBPCRU-SNVBAGLBSA-N	-1	0	256.283	0.646	20	30		CCEDRM
C#C[C@@H](NC(=O)c1ccnc(C(=O)[O-])c1)C1CCOCC1	ZINC000911789117	636383027	/nfs/dbraw/zinc/38/30/27/636383027.db2.gz	GGUKRODCTCGHHV-GFCCVEGCSA-N	-1	0	288.303	0.938	20	30		CCEDRM
C=C(C)COCCNC(=O)N[C@@H](CCOC)C(=O)[O-]	ZINC000164156398	636862168	/nfs/dbraw/zinc/86/21/68/636862168.db2.gz	RALNEMXXZKVACI-JTQLQIEISA-N	-1	0	274.317	0.368	20	30		CCEDRM
C#CCN(C)C(=O)NCC1(C(=O)[O-])CCOCC1	ZINC000164735449	636881781	/nfs/dbraw/zinc/88/17/81/636881781.db2.gz	BGSDJLPNHCDOGO-UHFFFAOYSA-N	-1	0	254.286	0.142	20	30		CCEDRM
C[C@@H](C#N)CNC(=O)c1n[n-]c2ccccc2c1=O	ZINC000172381004	637172073	/nfs/dbraw/zinc/17/20/73/637172073.db2.gz	KNNOMGXGXOXQEV-QMMMGPOBSA-N	-1	0	256.265	0.813	20	30		CCEDRM
CC[C@H](C#N)NC(=O)c1n[n-]c2ccccc2c1=O	ZINC000172378419	637172150	/nfs/dbraw/zinc/17/21/50/637172150.db2.gz	TVPZTRDYXGCDIQ-MRVPVSSYSA-N	-1	0	256.265	0.955	20	30		CCEDRM
Cc1cc2ncc(C([O-])=C(C#N)C(=O)NC3CC3)c(C)n2n1	ZINC000916926596	637932420	/nfs/dbraw/zinc/93/24/20/637932420.db2.gz	MFCCJGBPJYBKNV-LLVKDONJSA-N	-1	0	297.318	0.947	20	30		CCEDRM
N#Cc1c[n-]c(=O)n(C[C@H]2CC[C@H](C(F)(F)F)O2)c1=O	ZINC000917859043	637992032	/nfs/dbraw/zinc/99/20/32/637992032.db2.gz	MGFLKSMFGRFJTI-HTQZYQBOSA-N	-1	0	289.213	0.518	20	30		CCEDRM
C=CCCO[C@H](C)C(=O)N[C@@H](C(=O)[O-])[C@@H]1CCCOC1	ZINC000262845247	638066218	/nfs/dbraw/zinc/06/62/18/638066218.db2.gz	SOYBGCXSERRMAT-IJLUTSLNSA-N	-1	0	285.340	0.964	20	30		CCEDRM
Cc1cc(Cl)ccc1NN=C1C(=O)[N-]C(=O)NC1=O	ZINC000921202547	638162032	/nfs/dbraw/zinc/16/20/32/638162032.db2.gz	YXFOJGPSXFQSBK-UHFFFAOYSA-N	-1	0	280.671	0.782	20	30		CCEDRM
C[C@H](C(=O)Nc1cc(C#N)ccc1[O-])N1CCN(C)CC1	ZINC000179740274	638241820	/nfs/dbraw/zinc/24/18/20/638241820.db2.gz	MUBMFTKZGJKRNU-LLVKDONJSA-N	-1	0	288.351	0.838	20	30		CCEDRM
Cc1n[nH]c(C(=O)NCC2=CCN(CC#N)CC2)c1[O-]	ZINC001000586652	639127657	/nfs/dbraw/zinc/12/76/57/639127657.db2.gz	DWGYPRQCZKTISI-UHFFFAOYSA-N	-1	0	275.312	0.309	20	30		CCEDRM
N#C[C@]1(C(=O)N2CC[C@@](F)(C(=O)[O-])C2)CCCOC1	ZINC000923067394	640014363	/nfs/dbraw/zinc/01/43/63/640014363.db2.gz	URYGXKAKOOPQKA-NEPJUHHUSA-N	-1	0	270.260	0.332	20	30		CCEDRM
C[C@H](NC(=O)[C@@]1(C#N)CCCOC1)[C@H](C)C(=O)[O-]	ZINC000923077758	640015047	/nfs/dbraw/zinc/01/50/47/640015047.db2.gz	YUQXPMZZNVSYSB-HOTUBEGUSA-N	-1	0	254.286	0.532	20	30		CCEDRM
N#C[C@]1(C(=O)NCC2(C(=O)[O-])CC2)CCCOC1	ZINC000923077467	640015192	/nfs/dbraw/zinc/01/51/92/640015192.db2.gz	RLLKQJNMTZVWOW-GFCCVEGCSA-N	-1	0	252.270	0.288	20	30		CCEDRM
N#C[C@@]1(C(=O)N2CCSC[C@H](C(=O)[O-])C2)CCCOC1	ZINC000923101370	640021975	/nfs/dbraw/zinc/02/19/75/640021975.db2.gz	ICCYFCZTNLOTTP-MFKMUULPSA-N	-1	0	298.364	0.583	20	30		CCEDRM
N#CC1(C(=O)NC[C@@]2(C(=O)[O-])CCCOC2)CCC1	ZINC000923099869	640022449	/nfs/dbraw/zinc/02/24/49/640022449.db2.gz	HFNGKCLHCGYDTK-ZDUSSCGKSA-N	-1	0	266.297	0.678	20	30		CCEDRM
COc1ncc[nH]c1=NNC1=CC(=O)N2CCC[C@H]12	ZINC000799485475	640576545	/nfs/dbraw/zinc/57/65/45/640576545.db2.gz	UAVAPCGYGIRRBQ-SECBINFHSA-N	-1	0	261.285	0.648	20	30		CCEDRM
Cc1ccc(C(=O)[N-]S(=O)(=O)[C@H]2CCOC2)cc1C#N	ZINC000799610509	640587873	/nfs/dbraw/zinc/58/78/73/640587873.db2.gz	DJCDLTKRFOYLSQ-LBPRGKRZSA-N	-1	0	294.332	0.715	20	30		CCEDRM
C=C1CC(C)(C(=O)N[C@H]2CCN(Cc3n[nH]c(=O)[n-]3)C2)C1	ZINC001015677328	650606706	/nfs/dbraw/zinc/60/67/06/650606706.db2.gz	VEXJCAVNFCMLEP-JTQLQIEISA-N	-1	0	291.355	0.557	20	30		CCEDRM
N#Cc1nc(NC(=O)[C@@H]2CCCC23OCCO3)[n-]c1C#N	ZINC000806433815	640783752	/nfs/dbraw/zinc/78/37/52/640783752.db2.gz	SFZSVKUUVJNEGM-QMMMGPOBSA-N	-1	0	287.279	0.635	20	30		CCEDRM
O=C([O-])Cn1cc(C=NNCC2CCCC2)nn1	ZINC000808005628	640844794	/nfs/dbraw/zinc/84/47/94/640844794.db2.gz	IGLWNAJSMPPVMN-UHFFFAOYSA-N	-1	0	251.290	0.476	20	30		CCEDRM
N#CCCCS(=O)(=O)[N-]C(=O)c1cnn(CCF)c1	ZINC000808997022	640884059	/nfs/dbraw/zinc/88/40/59/640884059.db2.gz	PFNZIDNEFONNDM-UHFFFAOYSA-N	-1	0	288.304	0.216	20	30		CCEDRM
N#CC(C(=O)N1CCCC1)=C([O-])c1nnc2ccccc2n1	ZINC000810526244	640936649	/nfs/dbraw/zinc/93/66/49/640936649.db2.gz	AKMXDOCFCLDEBQ-JTQLQIEISA-N	-1	0	295.302	0.970	20	30		CCEDRM
CC#CCS(=O)(=O)[N-]C(=O)c1cn(C(C)(C)C)nn1	ZINC000810769996	640948743	/nfs/dbraw/zinc/94/87/43/640948743.db2.gz	GCPUOAWWARQZCB-UHFFFAOYSA-N	-1	0	284.341	0.116	20	30		CCEDRM
CC#CCS(=O)(=O)[N-]C(=O)c1ncccc1C	ZINC000810774503	640949565	/nfs/dbraw/zinc/94/95/65/640949565.db2.gz	JBLZQQJLYZTTRI-UHFFFAOYSA-N	-1	0	252.295	0.473	20	30		CCEDRM
N#Cc1ccc2[nH]cc(C=Nn3c(=O)[n-][nH]c3=O)c2c1	ZINC000814231018	641061283	/nfs/dbraw/zinc/06/12/83/641061283.db2.gz	HSVFZKOLQQVLRP-UHFFFAOYSA-N	-1	0	268.236	0.924	20	30		CCEDRM
O=c1[n-][nH]c(=O)n1N=Cc1ccc(-n2cccn2)cc1	ZINC000814231745	641062537	/nfs/dbraw/zinc/06/25/37/641062537.db2.gz	MQICILKEBIXMIW-UHFFFAOYSA-N	-1	0	270.252	0.757	20	30		CCEDRM
C[C@H]1CC(N=Nc2ccc(C(N)=O)nn2)CC[C@@H]1C(=O)[O-]	ZINC000814869640	641079971	/nfs/dbraw/zinc/07/99/71/641079971.db2.gz	AQSDLQWYBLQDJK-CBAPKCEASA-N	-1	0	291.311	0.864	20	30		CCEDRM
O=c1[n-][nH]c(=O)n1N=Cc1nc2c(s1)CCCC2	ZINC000814940416	641083375	/nfs/dbraw/zinc/08/33/75/641083375.db2.gz	WMSASEKHOYYTAK-UHFFFAOYSA-N	-1	0	265.298	0.907	20	30		CCEDRM
COCC(=NNCC(=O)[O-])c1cccc([N+](=O)[O-])c1	ZINC000814958802	641084937	/nfs/dbraw/zinc/08/49/37/641084937.db2.gz	SLMWHJXRQPFFNV-UHFFFAOYSA-N	-1	0	267.241	0.620	20	30		CCEDRM
C[C@H](O)CNN=Cc1ccc(OCC(=O)[O-])cc1	ZINC000814962376	641085821	/nfs/dbraw/zinc/08/58/21/641085821.db2.gz	ITCRRRIEOYXYDL-VIFPVBQESA-N	-1	0	252.270	0.454	20	30		CCEDRM
C[C@@H](O)CNN=Cc1ccc(OCC(=O)[O-])cc1	ZINC000814962375	641086066	/nfs/dbraw/zinc/08/60/66/641086066.db2.gz	ITCRRRIEOYXYDL-SECBINFHSA-N	-1	0	252.270	0.454	20	30		CCEDRM
Cn1nncc1NN=Cc1ccc(OCC(=O)[O-])cc1	ZINC000814981694	641087661	/nfs/dbraw/zinc/08/76/61/641087661.db2.gz	NNXPZECFNZXOQX-UHFFFAOYSA-N	-1	0	275.268	0.725	20	30		CCEDRM
N#CC1(CC(=O)[N-]S(=O)(=O)C[C@@H]2CCCCO2)CC1	ZINC000815932529	641130978	/nfs/dbraw/zinc/13/09/78/641130978.db2.gz	JLSNZSLOPVQWJR-JTQLQIEISA-N	-1	0	286.353	0.695	20	30		CCEDRM
O=C(N[C@@H]1CCN(O)C1=O)[C@H]1CCc2ccccc2O1	ZINC000820131547	641464834	/nfs/dbraw/zinc/46/48/34/641464834.db2.gz	JKLGLUMCYRCFDQ-ZYHUDNBSSA-N	-1	0	276.292	0.487	20	30		CCEDRM
O=C(N[C@@H]1CCN(O)C1=O)[C@@H]1CC12CCSCC2	ZINC000820138221	641469268	/nfs/dbraw/zinc/46/92/68/641469268.db2.gz	XULZQOPNQKVJHM-DTWKUNHWSA-N	-1	0	270.354	0.626	20	30		CCEDRM
O=C(N[C@H]1CCN(O)C1=O)c1cc(F)c([O-])c(Cl)c1	ZINC000820143309	641469965	/nfs/dbraw/zinc/46/99/65/641469965.db2.gz	GDUPCHXMSLBQCY-QMMMGPOBSA-N	-1	0	288.662	0.905	20	30		CCEDRM
N#CCCS(=O)(=O)[N-]C(=O)c1ccccc1F	ZINC000821583961	641611142	/nfs/dbraw/zinc/61/11/42/641611142.db2.gz	MZOFXZHNHCDVTR-UHFFFAOYSA-N	-1	0	256.258	0.799	20	30		CCEDRM
C#C[C@@H](CCC)NC(=O)c1cccc(-n2[n-]nnc2=N)c1	ZINC000822396000	641664378	/nfs/dbraw/zinc/66/43/78/641664378.db2.gz	HUDYGZXYXSTPCD-NSHDSACASA-N	-1	0	284.323	0.607	20	30		CCEDRM
N#C[C@@H](NC(=O)c1cc(S(N)(=O)=O)ccc1[O-])C1CC1	ZINC000826931380	641968063	/nfs/dbraw/zinc/96/80/63/641968063.db2.gz	HGFUMICKQWQQDI-SNVBAGLBSA-N	-1	0	295.320	0.072	20	30		CCEDRM
Cn1[n-]c(C(=O)N[C@H]2Cc3ccc(C#N)cc3C2)cc1=O	ZINC000829485815	642166836	/nfs/dbraw/zinc/16/68/36/642166836.db2.gz	KFMXWWSYJHLOGO-LBPRGKRZSA-N	-1	0	282.303	0.895	20	30		CCEDRM
Cc1[nH]c(C#N)cc1C(=O)[N-]S(=O)(=O)CC1CC1	ZINC000835159574	642651301	/nfs/dbraw/zinc/65/13/01/642651301.db2.gz	ZGERKLSHCFTDFV-UHFFFAOYSA-N	-1	0	267.310	0.664	20	30		CCEDRM
Cc1ccc(-c2nn(C)cc2C=NNCC(=O)[O-])o1	ZINC000842534150	642909751	/nfs/dbraw/zinc/90/97/51/642909751.db2.gz	VXXCCOYRUQVHDL-UHFFFAOYSA-N	-1	0	262.269	0.997	20	30		CCEDRM
N#CCc1ccc(CNC(=O)COCC(=O)[O-])cc1	ZINC000843335790	643032996	/nfs/dbraw/zinc/03/29/96/643032996.db2.gz	PKNTWXXQGVWPJU-UHFFFAOYSA-N	-1	0	262.265	0.470	20	30		CCEDRM
N#Cc1ccc(C(=O)N2CCC[C@@H](c3n[nH]c(=O)[n-]3)C2)o1	ZINC000843878574	643122787	/nfs/dbraw/zinc/12/27/87/643122787.db2.gz	OALYQCBCXIZUQT-MRVPVSSYSA-N	-1	0	287.279	0.995	20	30		CCEDRM
Cn1cc(CS(=O)(=O)[N-]C(=O)CCCCCC#N)cn1	ZINC000847847586	643560886	/nfs/dbraw/zinc/56/08/86/643560886.db2.gz	MRSPEUYPAVNGAJ-UHFFFAOYSA-N	-1	0	298.368	0.840	20	30		CCEDRM
C[C@@H](CNC(=O)NCCNc1ccc(C#N)cn1)C(=O)[O-]	ZINC000848575800	643653680	/nfs/dbraw/zinc/65/36/80/643653680.db2.gz	BNMKHPXAUFLMOG-VIFPVBQESA-N	-1	0	291.311	0.385	20	30		CCEDRM
N#CC(C(=O)NC1CCCC1)=C([O-])c1cn(C2CC2)nn1	ZINC000860478679	644804780	/nfs/dbraw/zinc/80/47/80/644804780.db2.gz	ZLOHNIVOHZEAIV-LLVKDONJSA-N	-1	0	287.323	0.994	20	30		CCEDRM
N#Cc1ccc(CC(=O)[N-]S(=O)(=O)CCCF)cn1	ZINC000860582871	644813623	/nfs/dbraw/zinc/81/36/23/644813623.db2.gz	YTYRCSJDFOMGDE-UHFFFAOYSA-N	-1	0	285.300	0.301	20	30		CCEDRM
Cn1ccnc1C([O-])=C(C#N)C(=O)COCC(F)F	ZINC000860613009	644816160	/nfs/dbraw/zinc/81/61/60/644816160.db2.gz	QHUITOALBGHREH-SSDOTTSWSA-N	-1	0	271.223	0.593	20	30		CCEDRM
N#C[C@H](NC(=O)c1n[n-]c2ccccc2c1=O)C1CC1	ZINC000118337345	644889954	/nfs/dbraw/zinc/88/99/54/644889954.db2.gz	JIKAGHQRMBSPBU-NSHDSACASA-N	-1	0	268.276	0.955	20	30		CCEDRM
C[C@@H](CC#N)NS(=O)(=O)N=S1(=O)CCCC1	ZINC000866673888	645568202	/nfs/dbraw/zinc/56/82/02/645568202.db2.gz	KWDAVUHPWWUGJV-QMMMGPOBSA-N	-1	0	265.360	0.385	20	30		CCEDRM
N#CC(C(=O)N1CCCC1)=C([O-])c1cnc2nccn2c1	ZINC000870132553	645963826	/nfs/dbraw/zinc/96/38/26/645963826.db2.gz	IGQMLGPZBPSFTO-NSHDSACASA-N	-1	0	283.291	0.674	20	30		CCEDRM
N#Cc1cccc(O[N-]C(=O)[C@H]2CCC(=O)NC2)c1	ZINC000870692872	646018003	/nfs/dbraw/zinc/01/80/03/646018003.db2.gz	PWAPLOALRVLCFF-JTQLQIEISA-N	-1	0	259.265	0.494	20	30		CCEDRM
Cc1sc(C(=O)[O-])cc1S(=O)(=O)N1CC(C#N)C1	ZINC000871967231	646200626	/nfs/dbraw/zinc/20/06/26/646200626.db2.gz	HFILXROGJGMLQF-UHFFFAOYSA-N	-1	0	286.334	0.899	20	30		CCEDRM
Cc1nnc(N=NCCCOCC(F)F)[n-]c1=O	ZINC000872331285	646249198	/nfs/dbraw/zinc/24/91/98/646249198.db2.gz	BQNVPXCAOQTCKE-UHFFFAOYSA-N	-1	0	261.232	0.955	20	30		CCEDRM
O=C([N-]C[C@H](O)C(F)(F)C(F)(F)F)C(F)F	ZINC000882560148	647419308	/nfs/dbraw/zinc/41/93/08/647419308.db2.gz	JGFDLPGCWZLFLI-REOHCLBHSA-N	-1	0	257.105	0.926	20	30		CCEDRM
Cc1ncc(CO)c(C=NCCN2CCNC2=O)c1O	ZINC000887272432	648086955	/nfs/dbraw/zinc/08/69/55/648086955.db2.gz	NFEBMICKVVJHHU-AUWJEWJLSA-N	-1	0	278.312	0.032	20	30		CCEDRM
CC[C@H](C#N)NC(=O)Cc1cc(=O)n(CC(C)C)[n-]1	ZINC000931330294	648979095	/nfs/dbraw/zinc/97/90/95/648979095.db2.gz	FCLAVQAROAWAQJ-SNVBAGLBSA-N	-1	0	264.329	0.793	20	30		CCEDRM
CS(=O)(=O)[N-]C(=O)c1ccc(NC(N)=O)cc1	ZINC000042279189	649287747	/nfs/dbraw/zinc/28/77/47/649287747.db2.gz	ZTNRSHGPZXVNSK-UHFFFAOYSA-N	-1	0	257.271	0.441	20	30		CCEDRM
C[S@](=O)c1ccc(C(=O)[N-]S(C)(=O)=O)cc1	ZINC000042279130	649287901	/nfs/dbraw/zinc/28/79/01/649287901.db2.gz	PHXOLHTVYPRCGC-OAHLLOKOSA-N	-1	0	261.324	0.688	20	30		CCEDRM
CS(=O)(=O)[N-]C(=O)COc1ccc(C#N)cc1	ZINC000048478969	649322374	/nfs/dbraw/zinc/32/23/74/649322374.db2.gz	LAZFSDSKHMVQER-UHFFFAOYSA-N	-1	0	254.267	0.853	20	30		CCEDRM
C=CCN(CC(=O)[O-])C(=O)CNC(=O)Cc1ccccc1	ZINC000191269573	649471057	/nfs/dbraw/zinc/47/10/57/649471057.db2.gz	KDDAAFLJZZNCRT-UHFFFAOYSA-N	-1	0	290.319	0.445	20	30		CCEDRM
C=CCCC(=O)[N-]S(=O)(=O)c1ccc(OC)nc1	ZINC000191542178	649481738	/nfs/dbraw/zinc/48/17/38/649481738.db2.gz	PSKOZNZZCMCPNX-UHFFFAOYSA-N	-1	0	270.310	0.861	20	30		CCEDRM
COCCNC(=O)C(C#N)=C([O-])c1ccc(C)o1	ZINC000193421349	649537778	/nfs/dbraw/zinc/53/77/78/649537778.db2.gz	FWPZGOSSGQXWHW-SECBINFHSA-N	-1	0	250.254	0.673	20	30		CCEDRM
COCCCNC(=O)C(C#N)=C([O-])c1cnc(C)s1	ZINC000194678677	649584475	/nfs/dbraw/zinc/58/44/75/649584475.db2.gz	NACTYDZRUWZPNI-SECBINFHSA-N	-1	0	281.337	0.927	20	30		CCEDRM
C=C(Cl)CN1CCCN(C(=O)CNC(=O)[O-])CC1	ZINC001573339897	962897214	/nfs/dbraw/zinc/89/72/14/962897214.db2.gz	YWUKWSBGQNEFIH-UHFFFAOYSA-N	-1	0	275.736	0.541	20	30		CCEDRM
C#CCCCC(=O)N[C@H](CC1OCCO1)C(=O)[O-]	ZINC001588435500	964023396	/nfs/dbraw/zinc/02/33/96/964023396.db2.gz	SNEZXJHQGDQMLW-SECBINFHSA-N	-1	0	255.270	0.122	20	30		CCEDRM
C=C(C)C(=O)Nc1ccc(OC(=O)[C@@H](O)CC(=O)[O-])cc1	ZINC001231315657	805775623	/nfs/dbraw/zinc/77/56/23/805775623.db2.gz	VYCBZDJWJZCSJK-NSHDSACASA-N	-1	0	293.275	0.942	20	30		CCEDRM
C=CCOC(=O)c1ccc(OC(=O)[C@H](O)CC(=O)[O-])cc1	ZINC001231303802	805773777	/nfs/dbraw/zinc/77/37/77/805773777.db2.gz	XNNCTPXOIBQCKG-LLVKDONJSA-N	-1	0	294.259	0.770	20	30		CCEDRM
C[C@H]1C(=O)N(C)CCN1Cc1cc(C#N)ccc1[O-]	ZINC001232677583	805969959	/nfs/dbraw/zinc/96/99/59/805969959.db2.gz	FNFUJHMKSUSDMX-JTQLQIEISA-N	-1	0	259.309	0.926	20	30		CCEDRM
Cc1cc(Cl)c(C#N)c(N[C@@H]2CO[N-]C2=O)n1	ZINC001167511026	791497478	/nfs/dbraw/zinc/49/74/78/791497478.db2.gz	NHCIDGBTHYTRHR-MRVPVSSYSA-N	-1	0	252.661	0.757	20	30		CCEDRM
Cn1ncc(Cl)c1/C=C\C(=O)c1cnc([O-])n(C)c1=O	ZINC000588535243	791599782	/nfs/dbraw/zinc/59/97/82/791599782.db2.gz	YAGONJRUNCNLPM-ARJAWSKDSA-N	-1	0	294.698	0.769	20	30		CCEDRM
C=C(C)C(=O)NCCCNc1cccc(S(=O)(=O)[O-])n1	ZINC001167666589	793233588	/nfs/dbraw/zinc/23/35/88/793233588.db2.gz	SYQARFKSLISRTA-UHFFFAOYSA-N	-1	0	299.352	0.823	20	30		CCEDRM
C=C(C)C[C@@H](CO)NC(=O)NC[C@@H](C(=O)[O-])C(C)C	ZINC001121918305	799093598	/nfs/dbraw/zinc/09/35/98/799093598.db2.gz	FNIZIHMHEPAFIY-WDEREUQCSA-N	-1	0	272.345	0.970	20	30		CCEDRM
Cn1nc(C([O-])=C(C#N)C(=O)NC2CC2)c2c1CCCC2	ZINC001122451772	799237464	/nfs/dbraw/zinc/23/74/64/799237464.db2.gz	CXCZHRKJHFOOOB-LLVKDONJSA-N	-1	0	286.335	0.900	20	30		CCEDRM
CCCn1cc(C([O-])=C(C#N)C(=O)NC2CC2)nn1	ZINC001122499971	799250500	/nfs/dbraw/zinc/25/05/00/799250500.db2.gz	QUKZYCPCUWSEAC-VIFPVBQESA-N	-1	0	261.285	0.289	20	30		CCEDRM
N#CC(C(=O)NC1CC1)=C([O-])c1cnn(C(F)F)c1	ZINC001122516049	799254409	/nfs/dbraw/zinc/25/44/09/799254409.db2.gz	RTKUAHGHUJFYAS-QMMMGPOBSA-N	-1	0	268.223	0.879	20	30		CCEDRM
COCCNC(=O)C(C#N)=C([O-])c1cnn(C2CCC2)c1	ZINC001122541645	799259508	/nfs/dbraw/zinc/25/95/08/799259508.db2.gz	YHBRQWLUKAGEIC-LBPRGKRZSA-N	-1	0	290.323	0.693	20	30		CCEDRM
Cn1ccnc1C([O-])=C(C#N)C(=O)CSCC#N	ZINC001122631829	799277730	/nfs/dbraw/zinc/27/77/30/799277730.db2.gz	KFYGOUGYVQQAOV-QMMMGPOBSA-N	-1	0	262.294	0.568	20	30		CCEDRM
CC(C)(C#N)C(=O)NC[C@@H](C(=O)[O-])[C@H]1CCOC1	ZINC001123297342	799385185	/nfs/dbraw/zinc/38/51/85/799385185.db2.gz	NVCSZAUCFCLSNP-DTWKUNHWSA-N	-1	0	254.286	0.390	20	30		CCEDRM
C#Cc1ccc(C(=O)N2CCC[C@@H](Cc3nnn[n-]3)C2)nc1	ZINC001123915398	799503548	/nfs/dbraw/zinc/50/35/48/799503548.db2.gz	VITFRXVQHCHVLS-LBPRGKRZSA-N	-1	0	296.334	0.671	20	30		CCEDRM
C=C[C@](C)(O)C(=O)N(Cc1nnn[n-]1)CC(C)C	ZINC001153810718	800669764	/nfs/dbraw/zinc/66/97/64/800669764.db2.gz	CTTTZULGEGYGLO-NSHDSACASA-N	-1	0	253.306	0.121	20	30		CCEDRM
N#Cc1ccc2[n-]c(C(=O)n3cc(N)c(N)n3)cc(=O)c2c1	ZINC001154552249	800798750	/nfs/dbraw/zinc/79/87/50/800798750.db2.gz	OPKUVQLUYNDBBL-UHFFFAOYSA-N	-1	0	294.274	0.449	20	30		CCEDRM
N#Cc1ccc2[nH]c(C(=O)NCc3nnn[n-]3)cc2c1	ZINC001156461415	801170435	/nfs/dbraw/zinc/17/04/35/801170435.db2.gz	MMHMYGQHJQYBHN-UHFFFAOYSA-N	-1	0	267.252	0.483	20	30		CCEDRM
CC[C@H](C)[C@H]([N-]S(=O)(=O)C(F)(F)F)C(=O)NO	ZINC001252406864	807818555	/nfs/dbraw/zinc/81/85/55/807818555.db2.gz	NTGOPPSCJSFNDB-WHFBIAKZSA-N	-1	0	278.252	0.346	20	30		CCEDRM
N#Cc1c[n-]c(=O)n(CCCOc2ccccc2)c1=O	ZINC001166383046	802903896	/nfs/dbraw/zinc/90/38/96/802903896.db2.gz	IPVALOQXDVRGEX-UHFFFAOYSA-N	-1	0	271.276	0.877	20	30		CCEDRM
C=CCOCCCNS(=O)(=O)[C@H]1CC[C@H]1C(=O)[O-]	ZINC001465111196	804113791	/nfs/dbraw/zinc/11/37/91/804113791.db2.gz	AQAIEKBQVWRQDM-ZJUUUORDSA-N	-1	0	277.342	0.362	20	30		CCEDRM
C=CCOCCNS(=O)(=O)[C@@H]1CCCC[C@@H]1C(=O)[O-]	ZINC001465114183	804139296	/nfs/dbraw/zinc/13/92/96/804139296.db2.gz	DIXGGDUJVJBRBJ-WDEREUQCSA-N	-1	0	291.369	0.752	20	30		CCEDRM
C=CCC[C@H](NS(=O)(=O)c1c[nH]c(C)n1)C(=O)[O-]	ZINC000315683566	804639490	/nfs/dbraw/zinc/63/94/90/804639490.db2.gz	BQOLWTGOYFKZID-QMMMGPOBSA-N	-1	0	273.314	0.416	20	30		CCEDRM
C=CCC[C@@H](NC(=O)CCn1ccnc1)C(=O)[O-]	ZINC000316257645	804682437	/nfs/dbraw/zinc/68/24/37/804682437.db2.gz	FUWFTVPDCHCIKI-SNVBAGLBSA-N	-1	0	251.286	0.809	20	30		CCEDRM
C=CCOC[C@@H](CS(=O)(=O)[O-])OCc1cnco1	ZINC001223170748	804957542	/nfs/dbraw/zinc/95/75/42/804957542.db2.gz	WXQCRUMLCZBETJ-JTQLQIEISA-N	-1	0	277.298	0.650	20	30		CCEDRM
C=CCOC[C@H](CS(=O)(=O)[O-])OC[C@H]1CCOC1	ZINC001224483274	805041793	/nfs/dbraw/zinc/04/17/93/805041793.db2.gz	YTVJSRCYEBETBT-WDEREUQCSA-N	-1	0	280.342	0.499	20	30		CCEDRM
C=C(C)C(=O)OC[C@@H](C)Oc1nc(C(=O)OC)cc(=O)[n-]1	ZINC001225734949	805156471	/nfs/dbraw/zinc/15/64/71/805156471.db2.gz	QMSBSRAMIRWKIZ-MRVPVSSYSA-N	-1	0	296.279	0.855	20	30		CCEDRM
Cc1cc(C)c(C#N)c(OC(=O)[C@H](O)CCC(=O)[O-])n1	ZINC001226089468	805192428	/nfs/dbraw/zinc/19/24/28/805192428.db2.gz	AGXNQJAAHKJCNL-SNVBAGLBSA-N	-1	0	278.264	0.701	20	30		CCEDRM
Cc1cc(=O)[n-]c(O[C@@H]2CCN(CC#N)C2)c1C#N	ZINC001226223598	805206730	/nfs/dbraw/zinc/20/67/30/805206730.db2.gz	RWRMSMUKFTXUKT-SNVBAGLBSA-N	-1	0	258.281	0.944	20	30		CCEDRM
Cc1cc(=O)[n-]c(OC[C@@H]2COC(=O)O2)c1C#N	ZINC001226220806	805207500	/nfs/dbraw/zinc/20/75/00/805207500.db2.gz	BSZJAJUHBOKOGQ-SSDOTTSWSA-N	-1	0	250.210	0.882	20	30		CCEDRM
CC(=O)N1CC[C@@H](Oc2nccc(/C=N/O)n2)C1	ZINC001226254284	805211293	/nfs/dbraw/zinc/21/12/93/805211293.db2.gz	UHWJJPQPJAMKDJ-KUKWCLJQSA-N	-1	0	250.258	0.284	20	30		CCEDRM
C#C[C@H](CC)Oc1nc(=O)[n-]c(C(=O)OC)c1[N+](=O)[O-]	ZINC001226653468	805262369	/nfs/dbraw/zinc/26/23/69/805262369.db2.gz	VNMAOINDGGOTOR-ZCFIWIBFSA-N	-1	0	281.224	0.668	20	30		CCEDRM
C=C[C@H](Oc1nc2ncnc-2c(S)[n-]1)C(=O)OC	ZINC001226787257	805281810	/nfs/dbraw/zinc/28/18/10/805281810.db2.gz	WYYNIRCMMQYDMM-YFKPBYRVSA-N	-1	0	266.282	0.748	20	30		CCEDRM
C=C[C@@H](CC)Oc1[n-]c(=O)nc2c(=O)[n-]c(=O)[nH]c21	ZINC001226887131	805290322	/nfs/dbraw/zinc/29/03/22/805290322.db2.gz	BESSXZBKTRQUDL-YFKPBYRVSA-N	-1	0	264.241	0.880	20	30		CCEDRM
C#CC(C#C)Oc1[nH]c(=O)nc2nc(Br)[n-]c21	ZINC001227598524	805370737	/nfs/dbraw/zinc/37/07/37/805370737.db2.gz	YFPCAAKMFALJNE-UHFFFAOYSA-N	-1	0	293.080	0.835	20	30		CCEDRM
CC[C@@H](C#CC(=O)OC)Oc1[n-]c(=O)nc2cc[nH]c21	ZINC001227810929	805392402	/nfs/dbraw/zinc/39/24/02/805392402.db2.gz	ZBDYINQSDKPANE-QMMMGPOBSA-N	-1	0	275.264	0.997	20	30		CCEDRM
C#C[C@H](Oc1[n-]c(=O)nc2cccnc21)C(=O)OCC	ZINC001228005490	805407103	/nfs/dbraw/zinc/40/71/03/805407103.db2.gz	SMDIMHSZWMEMOO-VIFPVBQESA-N	-1	0	273.248	0.674	20	30		CCEDRM
N#Cc1ccc(OC(=O)[C@@H](O)CC(=O)[O-])c(C#N)c1	ZINC001229035096	805498530	/nfs/dbraw/zinc/49/85/30/805498530.db2.gz	AVNSTYAOYXNGAL-VIFPVBQESA-N	-1	0	260.205	0.171	20	30		CCEDRM
CCOC(=O)[C@H](C#C[Si](C)(C)C)Oc1ncnc(=O)[n-]1	ZINC001229608580	805544104	/nfs/dbraw/zinc/54/41/04/805544104.db2.gz	BSHBSHPJSJIOMC-VIFPVBQESA-N	-1	0	295.371	0.769	20	30		CCEDRM
CCOC(=O)[C@@H](C#C[Si](C)(C)C)Oc1ncnc(=O)[n-]1	ZINC001229608569	805544477	/nfs/dbraw/zinc/54/44/77/805544477.db2.gz	BSHBSHPJSJIOMC-SECBINFHSA-N	-1	0	295.371	0.769	20	30		CCEDRM
Cc1nc(C#N)c(C#N)nc1-c1cnn(CC(=O)[O-])c1	ZINC001242183917	806995749	/nfs/dbraw/zinc/99/57/49/806995749.db2.gz	CPVNAZCETRJOJF-UHFFFAOYSA-N	-1	0	268.236	0.476	20	30		CCEDRM
N#Cc1ccc(-c2cc(=O)n(C(=O)C(N)=O)[n-]2)cc1	ZINC001245932391	807101500	/nfs/dbraw/zinc/10/15/00/807101500.db2.gz	GKLCJBZSCFKBGT-UHFFFAOYSA-N	-1	0	256.221	0.253	20	30		CCEDRM
N#Cc1cnc([N-]S(=O)(=O)C(F)(F)F)cn1	ZINC001252266978	807800351	/nfs/dbraw/zinc/80/03/51/807800351.db2.gz	HHRGIRQKWCQHAC-UHFFFAOYSA-N	-1	0	252.177	0.610	20	30		CCEDRM
C=CCC[C@H](O)CN[C@@H](CCC(=O)[O-])C(=O)OC	ZINC001252615827	807920786	/nfs/dbraw/zinc/92/07/86/807920786.db2.gz	GRXNWJQWFJDLFE-UWVGGRQHSA-N	-1	0	259.302	0.310	20	30		CCEDRM
CCCS(=O)(=O)[N-]c1ncnc(OC)c1C#N	ZINC001253634819	808100352	/nfs/dbraw/zinc/10/03/52/808100352.db2.gz	WTUYUVPORGEWHF-UHFFFAOYSA-N	-1	0	256.287	0.509	20	30		CCEDRM
C[C@@H]1COC(=O)C1=NN=c1[n-]ncc(N)c1Cl	ZINC001257405706	808614824	/nfs/dbraw/zinc/61/48/24/808614824.db2.gz	UGWLMEUVMKGHKP-SCSAIBSYSA-N	-1	0	255.665	0.673	20	30		CCEDRM
C#Cc1ccc([N-]S(=O)(=O)CC(=O)OC)cc1F	ZINC001259027119	808724412	/nfs/dbraw/zinc/72/44/12/808724412.db2.gz	MXCRFCKLURCGMU-UHFFFAOYSA-N	-1	0	271.269	0.722	20	30		CCEDRM
N#Cc1cccc(S(=O)(=O)N[C@H]2SC(=O)[N-]C2=O)c1	ZINC001259126609	808733631	/nfs/dbraw/zinc/73/36/31/808733631.db2.gz	ZYASOWUWCQBDNL-VIFPVBQESA-N	-1	0	297.317	0.146	20	30		CCEDRM
Cn1cc(S(=O)(=O)[N-]c2ncccc2C#N)cn1	ZINC001259820500	808776221	/nfs/dbraw/zinc/77/62/21/808776221.db2.gz	ZERXYGJEYKNPFX-UHFFFAOYSA-N	-1	0	263.282	0.488	20	30		CCEDRM
CS(=O)(=O)CS(=O)(=O)[N-]c1ccc(C#N)cc1C#N	ZINC001260593637	808871809	/nfs/dbraw/zinc/87/18/09/808871809.db2.gz	WOROKLUGRUSWFX-UHFFFAOYSA-N	-1	0	299.333	0.174	20	30		CCEDRM
C=CCCC(=O)N1CCN([C@@]2(C(=O)[O-])CCOC2)CC1	ZINC001261843373	809106138	/nfs/dbraw/zinc/10/61/38/809106138.db2.gz	DPQNQHBEWBTJCP-AWEZNQCLSA-N	-1	0	282.340	0.341	20	30		CCEDRM
C=CCO[C@@H]1CCN(S(=O)(=O)c2ncc[n-]2)C1	ZINC001261854860	809111607	/nfs/dbraw/zinc/11/16/07/809111607.db2.gz	YARRLUSVQVXRDL-SECBINFHSA-N	-1	0	257.315	0.375	20	30		CCEDRM
CC[C@H]1OC(C)=C(OCCS(=O)(=O)[O-])C1=O	ZINC001224572338	815274846	/nfs/dbraw/zinc/27/48/46/815274846.db2.gz	SLFTZADQXKJXMF-SSDOTTSWSA-N	-1	0	250.272	0.500	20	30		CCEDRM
CCN(CC)C(=S)Sc1[n-]c(=O)n(C)c(=O)c1C#N	ZINC001262675911	809391174	/nfs/dbraw/zinc/39/11/74/809391174.db2.gz	FZIHNQLQYQFREI-UHFFFAOYSA-N	-1	0	298.393	0.664	20	30		CCEDRM
Cc1nn(C)c(C)c1CC(=O)C(C#N)=C([O-])c1nccn1C	ZINC001263377663	809513965	/nfs/dbraw/zinc/51/39/65/809513965.db2.gz	IRGFNWXGBKPBSX-LBPRGKRZSA-N	-1	0	299.334	0.905	20	30		CCEDRM
Cc1cc(C#N)ccc1S(=O)(=O)NC/C=C/C(=O)[O-]	ZINC000382202205	809545746	/nfs/dbraw/zinc/54/57/46/809545746.db2.gz	QMYNEQLQYFNOBX-NSCUHMNNSA-N	-1	0	280.305	0.786	20	30		CCEDRM
C=C(C)c1ccc(N[C@@H]2C(=O)N(S(=O)(=O)[O-])[C@H]2C)nc1	ZINC001167857499	812316802	/nfs/dbraw/zinc/31/68/02/812316802.db2.gz	DNUJKZPCFXIZCW-KWQFWETISA-N	-1	0	297.336	0.929	20	30		CCEDRM
Cc1cc(C(=O)NCCC#N)[nH]c2nc(=O)[n-]c(=O)c1-2	ZINC000427611596	813611862	/nfs/dbraw/zinc/61/18/62/813611862.db2.gz	GVUVPADEGCKWPK-UHFFFAOYSA-N	-1	0	273.252	0.388	20	30		CCEDRM
C#CC(C#C)Oc1[n-]c(=O)ncc1Br	ZINC001227138654	814290122	/nfs/dbraw/zinc/29/01/22/814290122.db2.gz	SFUCOWISFCHOGP-UHFFFAOYSA-N	-1	0	253.055	0.959	20	30		CCEDRM
Cc1[nH]nc(C(=O)N2CC[C@H]([C@@H](C)NCC#N)C2)c1[O-]	ZINC001271482576	814459806	/nfs/dbraw/zinc/45/98/06/814459806.db2.gz	OYIXHTWCHUOOIF-SCZZXKLOSA-N	-1	0	277.328	0.388	20	30		CCEDRM
C=CCCC(=O)NC[C@@H](C)N(C)C(=O)c1n[nH]c(C)c1[O-]	ZINC001280439512	814743957	/nfs/dbraw/zinc/74/39/57/814743957.db2.gz	OPHDDKWTPINLSC-SECBINFHSA-N	-1	0	294.355	0.967	20	30		CCEDRM
Cn1c(=O)[n-]c(N[C@@H]2CC[C@@H]3C[C@@H]3C2)c(C#N)c1=O	ZINC001120857645	816245275	/nfs/dbraw/zinc/24/52/75/816245275.db2.gz	JJWFCFWFIPHLER-IWSPIJDZSA-N	-1	0	260.297	0.546	20	30		CCEDRM
C=C1CC(C)(C(=O)NC2CN(Cc3n[nH]c(=O)[n-]3)C2)C1	ZINC001030924380	816441182	/nfs/dbraw/zinc/44/11/82/816441182.db2.gz	PIQUWJVMWMNTFC-UHFFFAOYSA-N	-1	0	277.328	0.167	20	30		CCEDRM
C[C@H](CS(C)(=O)=O)C(=O)Nc1cc(C#N)ccc1[O-]	ZINC000176407472	816471651	/nfs/dbraw/zinc/47/16/51/816471651.db2.gz	OTZBLPYDCDDMRY-MRVPVSSYSA-N	-1	0	282.321	0.883	20	30		CCEDRM
CC#CCN1CC(NC(=O)c2ccc3oc(=O)nc-3[n-]2)C1	ZINC001031251242	816891979	/nfs/dbraw/zinc/89/19/79/816891979.db2.gz	GWAHAIZGJGPALP-UHFFFAOYSA-N	-1	0	286.291	0.366	20	30		CCEDRM
C=CCOC[C@@H](NC(=O)[C@H]1CCOC(C)(C)C1)C(=O)[O-]	ZINC001123380099	816946026	/nfs/dbraw/zinc/94/60/26/816946026.db2.gz	KVOKRPHKQOOTJS-WDEREUQCSA-N	-1	0	285.340	0.964	20	30		CCEDRM
C=CCN(CC(=O)[O-])C(=O)N[C@@H]1CO[C@H](C2CC2)C1	ZINC000691258783	817580164	/nfs/dbraw/zinc/58/01/64/817580164.db2.gz	YTRHJMCBFWSETC-QWRGUYRKSA-N	-1	0	268.313	0.836	20	30		CCEDRM
CC#CCCNC(=O)N1C[C@@H](OC)C[C@]1(C)C(=O)[O-]	ZINC000702729864	819169328	/nfs/dbraw/zinc/16/93/28/819169328.db2.gz	WPFKGYZACKZMPB-GXFFZTMASA-N	-1	0	268.313	0.673	20	30		CCEDRM
N#CCCN1CC(Oc2nc(=O)[n-]c(Cl)c2[N+](=O)[O-])C1	ZINC001231075799	821488732	/nfs/dbraw/zinc/48/87/32/821488732.db2.gz	HKCIQQKSANSCKR-UHFFFAOYSA-N	-1	0	299.674	0.720	20	30		CCEDRM
C#C[C@H](Oc1[n-]c(C)cc(=O)c1[N+](=O)[O-])C(=O)OCC	ZINC001231264868	821515495	/nfs/dbraw/zinc/51/54/95/821515495.db2.gz	VIJRYZATMYPALY-VIFPVBQESA-N	-1	0	280.236	0.948	20	30		CCEDRM
Cn1ncc(Br)c1C=NNCC(=O)[O-]	ZINC000378809763	821597948	/nfs/dbraw/zinc/59/79/48/821597948.db2.gz	ZKSKZNWEJUSFPO-UHFFFAOYSA-N	-1	0	261.079	0.191	20	30		CCEDRM
N#CC1(CS(=O)(=O)[N-]C(=O)CCC2CC2)CC1	ZINC000793196444	837402203	/nfs/dbraw/zinc/40/22/03/837402203.db2.gz	JXGJOQOJDYQKKF-UHFFFAOYSA-N	-1	0	256.327	0.926	20	30		CCEDRM
C[C@@H]1C[C@@H](C(=O)[N-]S(=O)(=O)CC2(C#N)CC2)CO1	ZINC000793203946	837407012	/nfs/dbraw/zinc/40/70/12/837407012.db2.gz	HWTJRGBVQRYLQZ-RKDXNWHRSA-N	-1	0	272.326	0.161	20	30		CCEDRM
N#CC1(CS(=O)(=O)[N-]C(=O)[C@H]2C[C@H]2C2CC2)CC1	ZINC000793203774	837407358	/nfs/dbraw/zinc/40/73/58/837407358.db2.gz	GYIHVCRBXAJLLL-UWVGGRQHSA-N	-1	0	268.338	0.782	20	30		CCEDRM
C=CC[C@@H](Nc1ccc(C(=O)[O-])nn1)C(=O)OC	ZINC001169837011	836455648	/nfs/dbraw/zinc/45/56/48/836455648.db2.gz	UTQGJWVNARNCOA-MRVPVSSYSA-N	-1	0	251.242	0.704	20	30		CCEDRM
O=C(CCC(=O)N1CC(N2CC(F)C2)C1)C1=CC=C[CH]1	ZINC001184242112	844186507	/nfs/dbraw/zinc/18/65/07/844186507.db2.gz	YUSVFUATQKFZBO-UHFFFAOYSA-N	-1	0	277.319	0.901	20	30		CCEDRM
COC(=O)[C@H](CS)NC(=O)CCC(=O)C1=CC=C[CH]1	ZINC001184244588	844187574	/nfs/dbraw/zinc/18/75/74/844187574.db2.gz	RVBZUWRXNYCVSX-JTQLQIEISA-N	-1	0	282.341	0.624	20	30		CCEDRM
CC1(C)C(=O)NC[C@@H]1NC(=O)CCC(=O)C1=CC=C[CH]1	ZINC001184247525	844188604	/nfs/dbraw/zinc/18/86/04/844188604.db2.gz	SGTBFQVZYPKYDL-LBPRGKRZSA-N	-1	0	275.328	0.677	20	30		CCEDRM
O=C(CCC(=O)C1=CC=C[CH]1)NC[C@H]1CNC(=O)C1	ZINC001184246051	844188850	/nfs/dbraw/zinc/18/88/50/844188850.db2.gz	IZKJDYCNLQKCOR-JTQLQIEISA-N	-1	0	261.301	0.288	20	30		CCEDRM
O=C(CCC(=O)C1=CC=C[CH]1)N[C@H]1CCCNC(=O)C1	ZINC001184247109	844188894	/nfs/dbraw/zinc/18/88/94/844188894.db2.gz	GRJXTFVXLVHFAC-LBPRGKRZSA-N	-1	0	275.328	0.821	20	30		CCEDRM
Cc1cc(NC(=O)CCC(=O)C2=CC=C[CH]2)n(N)c(=O)c1	ZINC001184246659	844189120	/nfs/dbraw/zinc/18/91/20/844189120.db2.gz	YEXAIUHIPATODC-UHFFFAOYSA-N	-1	0	286.311	0.859	20	30		CCEDRM
C=C(C)CCC(=O)N1CCN(Cc2n[nH]c(=O)[n-]2)CC1	ZINC001112901561	836958585	/nfs/dbraw/zinc/95/85/85/836958585.db2.gz	UCOSAYOOMDTMGG-UHFFFAOYSA-N	-1	0	279.344	0.511	20	30		CCEDRM
O=C(C#Cc1cccs1)N1CCO[C@@H](c2nnn[n-]2)C1	ZINC001136655779	839695802	/nfs/dbraw/zinc/69/58/02/839695802.db2.gz	HHOHPBCJXKTSKV-SNVBAGLBSA-N	-1	0	289.320	0.213	20	30		CCEDRM
O=C1[N-]S(=O)(=O)c2cc(NCCCS)ccc21	ZINC001171002405	839698009	/nfs/dbraw/zinc/69/80/09/839698009.db2.gz	LQSCNPHUJWJRDM-UHFFFAOYSA-N	-1	0	272.351	0.851	20	30		CCEDRM
N#Cc1cccc(O[N-]C(=O)[C@@H]2CCOC(=O)N2)c1	ZINC001171256277	840213073	/nfs/dbraw/zinc/21/30/73/840213073.db2.gz	UQFCMNJZQBQZBH-JTQLQIEISA-N	-1	0	261.237	0.467	20	30		CCEDRM
N=C(c1nonc1N)N(O)C(=O)c1ccc([O-])c(F)c1	ZINC001186202767	844519492	/nfs/dbraw/zinc/51/94/92/844519492.db2.gz	XFQDYLNXRHLTLO-UHFFFAOYSA-N	-1	0	281.203	0.353	20	30		CCEDRM
N#C[C@H]1CN(C(=O)c2cc(=O)n(-c3ccccc3)[n-]2)CCO1	ZINC001147883800	840713940	/nfs/dbraw/zinc/71/39/40/840713940.db2.gz	JRBNQKMXEHBGOJ-LBPRGKRZSA-N	-1	0	298.302	0.530	20	30		CCEDRM
CO[C@@H](C(=O)[O-])C(=O)N1Cc2cccc(C#N)c2C1	ZINC000713223164	841124274	/nfs/dbraw/zinc/12/42/74/841124274.db2.gz	CWFBYQDGUONSPG-LLVKDONJSA-N	-1	0	260.249	0.500	20	30		CCEDRM
C=CCn1cc([N-]S(=O)(=O)c2cncc(N)c2)cn1	ZINC001176545716	842380793	/nfs/dbraw/zinc/38/07/93/842380793.db2.gz	JKRMNZLPYZMRHL-UHFFFAOYSA-N	-1	0	279.325	0.847	20	30		CCEDRM
N#Cc1n[nH]cc1NC(=O)C(F)(F)C(F)(F)C(=O)[O-]	ZINC001180171170	843115673	/nfs/dbraw/zinc/11/56/73/843115673.db2.gz	RUZGTJSKRDOXNN-UHFFFAOYSA-N	-1	0	280.137	0.575	20	30		CCEDRM
N#Cc1cc(NC(=O)[C@@H]2COCCO2)c([O-])cc1F	ZINC001181003150	843366878	/nfs/dbraw/zinc/36/68/78/843366878.db2.gz	VZRJTUULBFUGOH-NSHDSACASA-N	-1	0	266.228	0.757	20	30		CCEDRM
COc1cc2[n-]cc(C(=O)NO)c(=O)c2c(OC)c1	ZINC001182280950	843764323	/nfs/dbraw/zinc/76/43/23/843764323.db2.gz	JUTKSEOJMDXWCS-UHFFFAOYSA-N	-1	0	264.237	0.664	20	30		CCEDRM
CC(C)(C)C#CC(=O)N1CC[C@@H]([NH2+]Cc2n[nH]c(=O)[n-]2)C1	ZINC001182450282	843827515	/nfs/dbraw/zinc/82/75/15/843827515.db2.gz	QQJLANGUSDOXPU-SNVBAGLBSA-N	-1	0	291.355	0.250	20	30		CCEDRM
Cc1oncc1S(=O)(=O)[N-]c1ncn(C)c1C#N	ZINC001187338084	844699680	/nfs/dbraw/zinc/69/96/80/844699680.db2.gz	QWRMUQQSQOLJPK-UHFFFAOYSA-N	-1	0	267.270	0.389	20	30		CCEDRM
COC(=O)CCS(=O)(=O)[N-]c1c(C)ccnc1C#N	ZINC001188360446	844883599	/nfs/dbraw/zinc/88/35/99/844883599.db2.gz	PPVADANBDMREBA-UHFFFAOYSA-N	-1	0	283.309	0.567	20	30		CCEDRM
N#Cc1c[n-]c(=O)n(Cc2cc(F)ccc2F)c1=O	ZINC001189573483	845170835	/nfs/dbraw/zinc/17/08/35/845170835.db2.gz	ARAJFHAAFKQHSN-UHFFFAOYSA-N	-1	0	263.203	0.735	20	30		CCEDRM
Cn1ncc(C#N)c1[N-]S(=O)(=O)c1ncc(F)cc1F	ZINC001190141184	845329625	/nfs/dbraw/zinc/32/96/25/845329625.db2.gz	JHOCYICAYJDAIC-UHFFFAOYSA-N	-1	0	299.262	0.766	20	30		CCEDRM
N#Cc1ccnnc1[N-]S(=O)(=O)c1ncc(F)cc1F	ZINC001190142260	845330273	/nfs/dbraw/zinc/33/02/73/845330273.db2.gz	OVJJMVNXRPQBKE-UHFFFAOYSA-N	-1	0	297.246	0.822	20	30		CCEDRM
CC[C@H](C#N)[N-]S(=O)(=O)c1ncc(F)cc1F	ZINC001190204979	845365724	/nfs/dbraw/zinc/36/57/24/845365724.db2.gz	FRKMQLBXLRMAQS-SSDOTTSWSA-N	-1	0	261.253	0.940	20	30		CCEDRM
COc1cc(C(=O)N[C@@H](C#N)C(N)=O)cc(Cl)c1O	ZINC001191155931	845597771	/nfs/dbraw/zinc/59/77/71/845597771.db2.gz	QNSVZVNBKRPUIM-ZETCQYMHSA-N	-1	0	283.671	0.161	20	30		CCEDRM
C#CC1CCN(S(=O)(=O)c2cc(C(=O)OC)[nH]n2)CC1	ZINC001191718560	845715721	/nfs/dbraw/zinc/71/57/21/845715721.db2.gz	BLOMIRTURIZURO-UHFFFAOYSA-N	-1	0	297.336	0.230	20	30		CCEDRM
Cc1ncc(C(=O)n2[n-]c3ccnc(=O)c-3c2N)cc1C#N	ZINC001192300957	845812574	/nfs/dbraw/zinc/81/25/74/845812574.db2.gz	AEQOJKCEMXUWAJ-UHFFFAOYSA-N	-1	0	294.274	0.522	20	30		CCEDRM
CCOC(=O)[C@@H](C#N)NC(=O)c1ccc(F)c(F)c1[O-]	ZINC001192812042	845915081	/nfs/dbraw/zinc/91/50/81/845915081.db2.gz	ZUYICRZBSSCHIO-MRVPVSSYSA-N	-1	0	284.218	0.855	20	30		CCEDRM
COC(=O)c1ccc(Cl)nc1[N-]S(=O)(=O)CC#N	ZINC001192935539	845942085	/nfs/dbraw/zinc/94/20/85/845942085.db2.gz	WVGOZCQISWYFDH-UHFFFAOYSA-N	-1	0	289.700	0.787	20	30		CCEDRM
Cn1cc([N-]S(=O)(=O)CC#N)c(C(F)(F)F)n1	ZINC001192939362	845943380	/nfs/dbraw/zinc/94/33/80/845943380.db2.gz	NRZRSAXSSMMZAS-UHFFFAOYSA-N	-1	0	268.220	0.704	20	30		CCEDRM
COC(=O)c1cccc([N-]S(=O)(=O)CC#N)c1F	ZINC001192982527	845943733	/nfs/dbraw/zinc/94/37/33/845943733.db2.gz	ROEXYNOQCZWHOD-UHFFFAOYSA-N	-1	0	272.257	0.878	20	30		CCEDRM
N#CCS(=O)(=O)[N-]c1ccccc1C(=O)NC1CC1	ZINC001192978848	845961528	/nfs/dbraw/zinc/96/15/28/845961528.db2.gz	JONBKFUWFGAXAT-UHFFFAOYSA-N	-1	0	279.321	0.844	20	30		CCEDRM
COc1ccc(CO)cc1[N-]S(=O)(=O)CC#N	ZINC001192980134	845962470	/nfs/dbraw/zinc/96/24/70/845962470.db2.gz	CIQIPEFTTUHDKG-UHFFFAOYSA-N	-1	0	256.283	0.453	20	30		CCEDRM
C[C@H](C#N)S(=O)(=O)[N-]c1cc(Cl)cnc1C(N)=O	ZINC001193105145	845978202	/nfs/dbraw/zinc/97/82/02/845978202.db2.gz	REMDZXIFDWYTNJ-RXMQYKEDSA-N	-1	0	288.716	0.488	20	30		CCEDRM
C[C@H](C#N)S(=O)(=O)[N-]c1cnn2cccnc12	ZINC001193105217	845978418	/nfs/dbraw/zinc/97/84/18/845978418.db2.gz	SRCXZELCJCKZDN-SSDOTTSWSA-N	-1	0	251.271	0.383	20	30		CCEDRM
C[C@H](C#N)S(=O)(=O)[N-]c1cccnc1N1CCOCC1	ZINC001193104007	845978521	/nfs/dbraw/zinc/97/85/21/845978521.db2.gz	CPYUOUSZFLYNEQ-SNVBAGLBSA-N	-1	0	296.352	0.572	20	30		CCEDRM
CCCc1nn(C)c(C(N)=O)c1[N-]S(=O)(=O)[C@@H](C)C#N	ZINC001193104445	845978555	/nfs/dbraw/zinc/97/85/55/845978555.db2.gz	INNRISDIBIDJEX-ZETCQYMHSA-N	-1	0	299.356	0.125	20	30		CCEDRM
COc1ncnc(OC)c1[N-]S(=O)(=O)[C@@H](C)C#N	ZINC001193104434	845978678	/nfs/dbraw/zinc/97/86/78/845978678.db2.gz	IJTKFKHRYCOTFP-LURJTMIESA-N	-1	0	272.286	0.148	20	30		CCEDRM
C[C@H](C#N)S(=O)(=O)[N-]c1nccnc1Br	ZINC001193104642	845979498	/nfs/dbraw/zinc/97/94/98/845979498.db2.gz	LPIOYKRKDSJRKC-RXMQYKEDSA-N	-1	0	291.130	0.893	20	30		CCEDRM
Cc1ccnc(C#N)c1[N-]S(=O)(=O)[C@H](C)C#N	ZINC001193111657	845981184	/nfs/dbraw/zinc/98/11/84/845981184.db2.gz	KDICMRATHLJYSD-MRVPVSSYSA-N	-1	0	250.283	0.915	20	30		CCEDRM
C[C@@H](C#N)S(=O)(=O)[N-]c1cccc2c1NC(=O)NC2	ZINC001193158967	846008058	/nfs/dbraw/zinc/00/80/58/846008058.db2.gz	XLEBAPUPVSKVNK-ZETCQYMHSA-N	-1	0	280.309	0.975	20	30		CCEDRM
COC(=O)[C@](C)([N-]S(=O)(=O)[C@@H](C)C#N)C(F)(F)F	ZINC001193186539	846029207	/nfs/dbraw/zinc/02/92/07/846029207.db2.gz	YUQHWSOBDIKYGY-FSPLSTOPSA-N	-1	0	288.247	0.312	20	30		CCEDRM
N#Cc1cc(C(=O)NC[C@@H]2CNC(=O)C2)ccc1[O-]	ZINC001193515763	846102574	/nfs/dbraw/zinc/10/25/74/846102574.db2.gz	RPMRQCJBYZEUJO-QMMMGPOBSA-N	-1	0	259.265	0.130	20	30		CCEDRM
CC(=O)NC[C@@H](C)CNC(=O)c1ccc([O-])c(C#N)c1	ZINC001193515768	846103130	/nfs/dbraw/zinc/10/31/30/846103130.db2.gz	RRSLWNWTOGYAJV-SECBINFHSA-N	-1	0	275.308	0.766	20	30		CCEDRM
Cn1ccnc1S(=O)(=O)[N-]c1cc(C#N)ccn1	ZINC001193549871	846115135	/nfs/dbraw/zinc/11/51/35/846115135.db2.gz	KVWLYPJFNZLXNP-UHFFFAOYSA-N	-1	0	263.282	0.488	20	30		CCEDRM
Cc1nc(C#N)c([N-]S(=O)(=O)c2nccn2C)o1	ZINC001193557238	846118091	/nfs/dbraw/zinc/11/80/91/846118091.db2.gz	MONOGJJNUBNHKB-UHFFFAOYSA-N	-1	0	267.270	0.389	20	30		CCEDRM
CCOC(=O)[C@H](C#N)NC(=O)c1cc(O)c([O-])c(Cl)c1	ZINC001193633987	846131183	/nfs/dbraw/zinc/13/11/83/846131183.db2.gz	NNTSSBBJUHXTSI-QMMMGPOBSA-N	-1	0	298.682	0.936	20	30		CCEDRM
C#CC[C@@H](NC(=O)C[C@H]1CC(C)(C)CO1)C(=O)[O-]	ZINC000716948406	846443490	/nfs/dbraw/zinc/44/34/90/846443490.db2.gz	SFWKCACIALLAPU-VHSXEESVSA-N	-1	0	253.298	0.784	20	30		CCEDRM
N#Cc1ccc(C(=O)N2CC(N3CC(F)C3)C2)c([O-])c1	ZINC001195733160	846604172	/nfs/dbraw/zinc/60/41/72/846604172.db2.gz	BPEGQHJDEAJYOB-UHFFFAOYSA-N	-1	0	275.283	0.742	20	30		CCEDRM
CN1CCN(C(=O)c2ccc(C#N)cc2[O-])CC1=O	ZINC001195733781	846604745	/nfs/dbraw/zinc/60/47/45/846604745.db2.gz	VXRBVIGHGLAJKA-UHFFFAOYSA-N	-1	0	259.265	0.178	20	30		CCEDRM
N#Cc1ccc(C(=O)N[C@H]2C=CS(=O)(=O)C2)c([O-])c1	ZINC001195764659	846614179	/nfs/dbraw/zinc/61/41/79/846614179.db2.gz	NROWBIRCVOAXTC-VIFPVBQESA-N	-1	0	278.289	0.304	20	30		CCEDRM
N#Cc1ccc(C(=O)N[C@H]2CCCNC(=O)C2)c([O-])c1	ZINC001195768676	846615356	/nfs/dbraw/zinc/61/53/56/846615356.db2.gz	PLPZWXSWJZGDLJ-JTQLQIEISA-N	-1	0	273.292	0.662	20	30		CCEDRM
C=C(C)CCC(=O)N1CCCN(Cc2n[nH]c(=O)[n-]2)CC1	ZINC001196018471	846670251	/nfs/dbraw/zinc/67/02/51/846670251.db2.gz	VVVUQAXQHUOWCB-UHFFFAOYSA-N	-1	0	293.371	0.901	20	30		CCEDRM
N#Cc1cc(NC(=O)c2snnc2CO)c([O-])cc1F	ZINC001196362486	846743907	/nfs/dbraw/zinc/74/39/07/846743907.db2.gz	RGAGRMXXJAJJQZ-UHFFFAOYSA-N	-1	0	294.267	0.999	20	30		CCEDRM
C=CCn1cnc2c1ncnc2[N-]S(=O)(=O)C=C	ZINC001198574350	847127941	/nfs/dbraw/zinc/12/79/41/847127941.db2.gz	XUSOBCUXHIWPPZ-UHFFFAOYSA-N	-1	0	265.298	0.898	20	30		CCEDRM
C=CCOC[C@@H](CS(=O)(=O)[O-])OC[C@H](C)C(=O)OC	ZINC001205944940	847893472	/nfs/dbraw/zinc/89/34/72/847893472.db2.gz	KRHJIEXGWFQYHH-UWVGGRQHSA-N	-1	0	296.341	0.271	20	30		CCEDRM
C=CC[C@H]([N-]S(=O)(=O)CC(F)(F)F)C(=O)OC	ZINC001253229677	848162847	/nfs/dbraw/zinc/16/28/47/848162847.db2.gz	VORFODDERXYWCF-LURJTMIESA-N	-1	0	275.248	0.586	20	30		CCEDRM
C=CCN(CC(=O)[O-])C(=O)NC[C@H](OC)C(C)C	ZINC000382018758	850445586	/nfs/dbraw/zinc/44/55/86/850445586.db2.gz	NLPBAAZNKRUYCC-JTQLQIEISA-N	-1	0	258.318	0.940	20	30		CCEDRM
CNC(=O)C(C#N)=C([O-])c1ccc2c(c1)CCC(=O)N2	ZINC000133335344	853835402	/nfs/dbraw/zinc/83/54/02/853835402.db2.gz	OYSMTQMAFVQNEO-JTQLQIEISA-N	-1	0	271.276	0.640	20	30		CCEDRM
C#CC[C@H](NC(=O)c1cc(C(C)=O)cn1C)C(=O)[O-]	ZINC000149572500	853987125	/nfs/dbraw/zinc/98/71/25/853987125.db2.gz	NIVUUIXYJAQRKZ-JTQLQIEISA-N	-1	0	262.265	0.434	20	30		CCEDRM
C#CC[C@@H](NC(=O)CC[C@@H]1CCCCO1)C(=O)[O-]	ZINC000149715808	853994256	/nfs/dbraw/zinc/99/42/56/853994256.db2.gz	ZGQGUZUCRLEKSV-WDEREUQCSA-N	-1	0	253.298	0.928	20	30		CCEDRM
C#CC[C@@H](NC(=O)[C@H](C)NC(=O)C(C)(C)C)C(=O)[O-]	ZINC000149760866	853996110	/nfs/dbraw/zinc/99/61/10/853996110.db2.gz	UWLQHBXFSGKPKE-DTWKUNHWSA-N	-1	0	268.313	0.130	20	30		CCEDRM
C#CC[C@H](NC(=O)Cc1ccccc1OC)C(=O)[O-]	ZINC000149774977	853996835	/nfs/dbraw/zinc/99/68/35/853996835.db2.gz	IXJUIABLZQHYNL-NSHDSACASA-N	-1	0	261.277	0.830	20	30		CCEDRM
CSc1[n-]c(=O)c(C(=O)NC[C@H](C)O)cc1C#N	ZINC001116489725	855775095	/nfs/dbraw/zinc/77/50/95/855775095.db2.gz	UJJHTNBLYWCEOW-LURJTMIESA-N	-1	0	267.310	0.491	20	30		CCEDRM
C=CCC[C@@H](NC(=O)CCN1CC[NH+](CC)CC1)C(=O)[O-]	ZINC001119580287	856752740	/nfs/dbraw/zinc/75/27/40/856752740.db2.gz	KNFQNDRQRZVDAZ-CYBMUJFWSA-N	-1	0	297.399	0.550	20	30		CCEDRM
C=CCCC[C@H](NC(=O)[C@@H](C)N1CCN(C)CC1)C(=O)[O-]	ZINC001119586322	856757607	/nfs/dbraw/zinc/75/76/07/856757607.db2.gz	FBOPQAPCCUEHEN-OLZOCXBDSA-N	-1	0	297.399	0.548	20	30		CCEDRM
C=CCC1(S(=O)(=O)[N-]C(=O)[C@]2(F)CCOC2)CC1	ZINC001323923979	912588256	/nfs/dbraw/zinc/58/82/56/912588256.db2.gz	QOCNQIBCPNGTCB-NSHDSACASA-N	-1	0	277.317	0.670	20	30		CCEDRM
C=CC[C@@H](CC)NC(=O)C(=O)[N-]OC[C@@H]1CCOC1	ZINC001324711127	912990001	/nfs/dbraw/zinc/99/00/01/912990001.db2.gz	QCJATRKTBSAZMR-GHMZBOCLSA-N	-1	0	270.329	0.542	20	30		CCEDRM
C=CCO[N-]C(=O)[C@@H](NC(=O)OC(C)(C)C)C(C)(C)O	ZINC001324950268	913114827	/nfs/dbraw/zinc/11/48/27/913114827.db2.gz	OPMGTQRGVVLDDD-SECBINFHSA-N	-1	0	288.344	0.884	20	30		CCEDRM
N#CC[C@@H](Oc1c([O-])c(=O)c(=O)c1=O)c1ccccc1	ZINC001225830984	893696397	/nfs/dbraw/zinc/69/63/97/893696397.db2.gz	OOPQQBWAIXMCAL-SECBINFHSA-N	-1	0	271.228	0.382	20	30		CCEDRM
Cn1c(=O)[n-]c(NC[C@H](O)CC(C)(C)C)c(C#N)c1=O	ZINC001364177182	893990321	/nfs/dbraw/zinc/99/03/21/893990321.db2.gz	PNLZRQYBFROXOV-MRVPVSSYSA-N	-1	0	280.328	0.154	20	30		CCEDRM
C=CCn1cc(C(=O)N2CC[C@@H](OC)C[C@H]2C(=O)[O-])nn1	ZINC001327496197	914572202	/nfs/dbraw/zinc/57/22/02/914572202.db2.gz	PRNLCPLPFGLXDA-KOLCDFICSA-N	-1	0	294.311	0.168	20	30		CCEDRM
COC[C@@H](NC(=O)c1sccc1C#N)c1nnn[n-]1	ZINC001412613447	901870487	/nfs/dbraw/zinc/87/04/87/901870487.db2.gz	UPAYBNSKRAGBDY-SSDOTTSWSA-N	-1	0	278.297	0.250	20	30		CCEDRM
Cc1cc(C#N)c(=O)[n-]c1C(=O)N(C)CC1(O)CCC1	ZINC001412798362	902132740	/nfs/dbraw/zinc/13/27/40/902132740.db2.gz	RIUPTUPNUZIMEW-UHFFFAOYSA-N	-1	0	275.308	0.954	20	30		CCEDRM
CC[C@H](Nc1[n-]c(=O)n(C)c(=O)c1C#N)c1noc(C)n1	ZINC001412872740	902322039	/nfs/dbraw/zinc/32/20/39/902322039.db2.gz	SZWNDMGLYJQNRQ-QMMMGPOBSA-N	-1	0	290.283	0.200	20	30		CCEDRM
COc1cc(Oc2[n-]c(=O)n(C)c(=O)c2C#N)ccc1C#N	ZINC001412880498	902329499	/nfs/dbraw/zinc/32/94/99/902329499.db2.gz	GEDUDKZKHNULOJ-UHFFFAOYSA-N	-1	0	298.258	0.618	20	30		CCEDRM
Cn1c(=O)[n-]c(Sc2cccc(O)c2)c(C#N)c1=O	ZINC001412879754	902333740	/nfs/dbraw/zinc/33/37/40/902333740.db2.gz	HQARLGLASBSISY-UHFFFAOYSA-N	-1	0	275.289	0.802	20	30		CCEDRM
CO[C@]1(C(=O)Nc2nc(C#N)c(C#N)[n-]2)CCSC1	ZINC001413191793	902771524	/nfs/dbraw/zinc/77/15/24/902771524.db2.gz	GJJDUOFJSOCMAS-LLVKDONJSA-N	-1	0	277.309	0.614	20	30		CCEDRM
N#Cc1cc(C(=O)N2CCC(c3nnn[n-]3)CC2)c[nH]1	ZINC001413430979	902948532	/nfs/dbraw/zinc/94/85/32/902948532.db2.gz	YVPMPKBCNVDQKA-UHFFFAOYSA-N	-1	0	271.284	0.419	20	30		CCEDRM
Cc1nnc([S-])n(N=Cc2ccc([N+](=O)[O-])o2)c1=O	ZINC001337253430	921225432	/nfs/dbraw/zinc/22/54/32/921225432.db2.gz	UZEYTYIIBYFFSG-UHFFFAOYSA-N	-1	0	281.253	0.619	20	30		CCEDRM
COCc1nc(N2CCO[C@@H](C#N)C2)cc(=O)[nH]1	ZINC001334935703	906480753	/nfs/dbraw/zinc/48/07/53/906480753.db2.gz	LBBBITABGVTLGS-QMMMGPOBSA-N	-1	0	250.258	0.057	20	30		CCEDRM
C=C(C)C[C@H](NC(=O)C1CCS(=O)(=O)CC1)C(=O)[O-]	ZINC001335434159	906792484	/nfs/dbraw/zinc/79/24/84/906792484.db2.gz	UPSSDTAENDXILQ-JTQLQIEISA-N	-1	0	289.353	0.347	20	30		CCEDRM
C#CC1(O)CN(c2nc(Cl)c(C(=O)[O-])s2)C1	ZINC001588382033	983368175	/nfs/dbraw/zinc/36/81/75/983368175.db2.gz	DIAWKZMRVRBSJE-UHFFFAOYSA-N	-1	0	258.686	0.679	20	30		CCEDRM
Cn1c(=O)[n-]c(NCC2=CCCCC2)c(C#N)c1=O	ZINC001337892860	921302235	/nfs/dbraw/zinc/30/22/35/921302235.db2.gz	CBJVULAWSFYAHZ-UHFFFAOYSA-N	-1	0	260.297	0.858	20	30		CCEDRM
COC(C)(C)CCNc1[n-]c(=O)n(C)c(=O)c1C#N	ZINC001336705829	907968234	/nfs/dbraw/zinc/96/82/34/907968234.db2.gz	OPCSHPPVNSWPCT-UHFFFAOYSA-N	-1	0	266.301	0.172	20	30		CCEDRM
C[C@H]1CCC[C@@H]1NC(=O)CCn1cc(C#N)c(=O)[n-]c1=O	ZINC001417639533	921485196	/nfs/dbraw/zinc/48/51/96/921485196.db2.gz	DOZBSNGUFUJBMW-ONGXEEELSA-N	-1	0	290.323	0.515	20	30		CCEDRM
N#CCC1(CNC(=O)CCCn2c(=O)[n-][nH]c2=O)CC1	ZINC001417733344	921583898	/nfs/dbraw/zinc/58/38/98/921583898.db2.gz	PQDMRWPZSNSMFV-UHFFFAOYSA-N	-1	0	279.300	0.280	20	30		CCEDRM
C#CCCNC(=O)Cc1c(C)nc(-c2ncccn2)[n-]c1=O	ZINC001339017556	921627818	/nfs/dbraw/zinc/62/78/18/921627818.db2.gz	NMXBHGABUDFCTE-UHFFFAOYSA-N	-1	0	297.318	0.630	20	30		CCEDRM
CNC(=O)C[C@@H](C)NC(=O)c1[n-]c(=O)c(C#N)cc1C	ZINC001417869544	921652729	/nfs/dbraw/zinc/65/27/29/921652729.db2.gz	OXTLUQSWXQQGEX-MRVPVSSYSA-N	-1	0	276.296	0.222	20	30		CCEDRM
CCn1ncn([N-]C(=O)c2c(F)cc(C#N)cc2F)c1=O	ZINC001417884366	921678884	/nfs/dbraw/zinc/67/88/84/921678884.db2.gz	VEQIZPZEADXULC-UHFFFAOYSA-N	-1	0	293.233	0.598	20	30		CCEDRM
C=CC[C@H](NC(=O)c1ccc(S(C)(=O)=O)o1)C(=O)[O-]	ZINC001322598889	911878190	/nfs/dbraw/zinc/87/81/90/911878190.db2.gz	HUEGENQFPPSVEY-ZETCQYMHSA-N	-1	0	287.293	0.442	20	30		CCEDRM
C=CC[C@H](NC(=O)[C@@H](O)c1cccnc1)C(=O)[O-]	ZINC001339523981	921749220	/nfs/dbraw/zinc/74/92/20/921749220.db2.gz	NXFCVQMXJLMWOE-UWVGGRQHSA-N	-1	0	250.254	0.261	20	30		CCEDRM
C=CCn1c(Cc2nn[nH]n2)nnc1N1CC[C@H](C)[C@@H]1C	ZINC001339569425	921762160	/nfs/dbraw/zinc/76/21/60/921762160.db2.gz	BCDNPGRFHKGITP-UWVGGRQHSA-N	-1	0	288.359	0.803	20	30		CCEDRM
C=CCn1c(Cc2nn[nH]n2)nnc1N1CC[C@H](C)[C@H]1C	ZINC001339569426	921762365	/nfs/dbraw/zinc/76/23/65/921762365.db2.gz	BCDNPGRFHKGITP-VHSXEESVSA-N	-1	0	288.359	0.803	20	30		CCEDRM
C=CC[C@@H](NC(=O)[C@@H]1OCCO[C@@H]1C(F)(F)F)C(=O)[O-]	ZINC001329215800	915753755	/nfs/dbraw/zinc/75/37/55/915753755.db2.gz	QGESXFHMPCMHRV-PRJMDXOYSA-N	-1	0	297.229	0.478	20	30		CCEDRM
C=CCn1c(-c2cc(=O)[nH][n-]2)nnc1N1CCC(=C)CC1	ZINC001339710847	921803776	/nfs/dbraw/zinc/80/37/76/921803776.db2.gz	VBHRTFFGNCTYSV-UHFFFAOYSA-N	-1	0	286.339	0.845	20	30		CCEDRM
C=CC[C@H](NC(=O)N[C@H](C)c1ccnn1C)C(=O)[O-]	ZINC001329686389	916124989	/nfs/dbraw/zinc/12/49/89/916124989.db2.gz	UWUFDQPVSKICQW-BDAKNGLRSA-N	-1	0	266.301	0.810	20	30		CCEDRM
N#Cc1ccc(NC(=O)C(=O)[N-]OCC2CC2)nc1	ZINC001330395849	916607090	/nfs/dbraw/zinc/60/70/90/916607090.db2.gz	ARGAEWAZGLQGFJ-UHFFFAOYSA-N	-1	0	260.253	0.350	20	30		CCEDRM
N#C[C@@]1(C(=O)[N-]OC2CCOCC2)CCCOC1	ZINC001330418164	916620783	/nfs/dbraw/zinc/62/07/83/916620783.db2.gz	NMDINTRTQBHLAO-LBPRGKRZSA-N	-1	0	254.286	0.534	20	30		CCEDRM
C=C[C@@H](COC)NC(=O)N1CCC[C@H]1CC(=O)[O-]	ZINC001588692424	983881795	/nfs/dbraw/zinc/88/17/95/983881795.db2.gz	BNAPDHMNCFOIKM-UWVGGRQHSA-N	-1	0	256.302	0.836	20	30		CCEDRM
C=CC[C@H](NC(=O)[C@@H]1CCc2nnn(C)c2C1)C(=O)[O-]	ZINC001332136357	917896257	/nfs/dbraw/zinc/89/62/57/917896257.db2.gz	NZRAOWGXWAGFPO-SCZZXKLOSA-N	-1	0	278.312	0.066	20	30		CCEDRM
C#CC[C@@H](NC(=O)[C@H](C)N(C)CC(F)(F)F)C(=O)[O-]	ZINC001332149982	917908792	/nfs/dbraw/zinc/90/87/92/917908792.db2.gz	QDCSQJDRIIMUGU-JGVFFNPUSA-N	-1	0	280.246	0.462	20	30		CCEDRM
C#CCSCC(=O)[N-]S(=O)(=O)Cc1cccnc1	ZINC001332574059	918286587	/nfs/dbraw/zinc/28/65/87/918286587.db2.gz	RBRXPXOWSFOFJT-UHFFFAOYSA-N	-1	0	284.362	0.394	20	30		CCEDRM
C=C[C@@H](C)O[N-]C(=O)CNS(=O)(=O)c1ccccc1	ZINC001332712341	918400213	/nfs/dbraw/zinc/40/02/13/918400213.db2.gz	UGIWGMCYIYJEEH-SNVBAGLBSA-N	-1	0	284.337	0.587	20	30		CCEDRM
C=CC[C@@H](NC(=O)Cn1cc(Cl)cn1)C(=O)[O-]	ZINC001333333168	918810848	/nfs/dbraw/zinc/81/08/48/918810848.db2.gz	YYDCFYBAKPEQNC-MRVPVSSYSA-N	-1	0	257.677	0.682	20	30		CCEDRM
C=CCOC[C@H](NC(=O)c1ccnc(OC)c1)C(=O)[O-]	ZINC001333334880	918813005	/nfs/dbraw/zinc/81/30/05/918813005.db2.gz	MANHLQOKUHBYQI-JTQLQIEISA-N	-1	0	280.280	0.476	20	30		CCEDRM
C=CCO[C@@H]1CCN(C(=O)N[C@H]2C[C@@H](C(=O)[O-])C2)C1	ZINC001335992145	920551776	/nfs/dbraw/zinc/55/17/76/920551776.db2.gz	BPESNIPCADEFKC-OUAUKWLOSA-N	-1	0	268.313	0.836	20	30		CCEDRM
C=C(C)CO[N-]C(=O)[C@@H](O)CNC(=O)OC(C)(C)C	ZINC001336009850	920561044	/nfs/dbraw/zinc/56/10/44/920561044.db2.gz	JGGFKKKVGIOIMQ-VIFPVBQESA-N	-1	0	274.317	0.496	20	30		CCEDRM
C=CCNC(=O)C(C#N)=C([O-])c1nnn(C(C)(C)C)n1	ZINC001341842297	922693283	/nfs/dbraw/zinc/69/32/83/922693283.db2.gz	QETRQZXPUMRKOE-MRVPVSSYSA-N	-1	0	276.300	0.053	20	30		CCEDRM
CNC(=O)C(C#N)=C([O-])c1cc(C(F)F)n(C)n1	ZINC001342762593	923082735	/nfs/dbraw/zinc/08/27/35/923082735.db2.gz	WRRXXAGNJLFZGW-RXMQYKEDSA-N	-1	0	256.212	0.426	20	30		CCEDRM
C=C(C)Cn1c(-c2cc(=O)[nH][n-]2)nnc1N(CC)CC	ZINC001342912726	923132800	/nfs/dbraw/zinc/13/28/00/923132800.db2.gz	XKTWLLQLJYEYLI-UHFFFAOYSA-N	-1	0	276.344	0.924	20	30		CCEDRM
Cc1cc(C#N)c(=O)[n-]c1C(=O)NC[C@H](C)c1ncon1	ZINC001420018793	923241460	/nfs/dbraw/zinc/24/14/60/923241460.db2.gz	WEIBHMACYIAFNC-QMMMGPOBSA-N	-1	0	287.279	0.884	20	30		CCEDRM
CNC(=O)C(C#N)=C([O-])c1cccc2c1COCC2	ZINC001343401558	923301650	/nfs/dbraw/zinc/30/16/50/923301650.db2.gz	LJBRIQWKILAAFX-NSHDSACASA-N	-1	0	258.277	0.828	20	30		CCEDRM
CNC(=O)C(C#N)=C([O-])c1cc(C)n(C2CCOCC2)n1	ZINC001343500637	923353184	/nfs/dbraw/zinc/35/31/84/923353184.db2.gz	KKQINVJPWJOIKF-LLVKDONJSA-N	-1	0	290.323	0.612	20	30		CCEDRM
CCn1nc(C([O-])=C(C#N)C(=O)NC)cc1C1CC1	ZINC001343538739	923366788	/nfs/dbraw/zinc/36/67/88/923366788.db2.gz	KUERLTWSBIEDEQ-VIFPVBQESA-N	-1	0	260.297	0.849	20	30		CCEDRM
CC(C)NC(=O)C(C#N)=C([O-])c1cnn2c1CCC2	ZINC001343598281	923387641	/nfs/dbraw/zinc/38/76/41/923387641.db2.gz	BLUQMRISPBKXRV-SECBINFHSA-N	-1	0	260.297	0.676	20	30		CCEDRM
Cn1ccnc1C([O-])=C(C#N)C(=O)[C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@H]12	ZINC001343616035	923392420	/nfs/dbraw/zinc/39/24/20/923392420.db2.gz	AALQPYIIBZUZOU-FWXRFIIYSA-N	-1	0	285.303	0.735	20	30		CCEDRM
N#Cc1cccc(NC(=O)C(=O)[N-]OCC2CC2)n1	ZINC001345812904	923986706	/nfs/dbraw/zinc/98/67/06/923986706.db2.gz	QPAYEXCUDULHPA-UHFFFAOYSA-N	-1	0	260.253	0.350	20	30		CCEDRM
Cn1ccnc1C([O-])=C(C#N)C(=O)[C@@]1(F)CCOC1	ZINC001347202468	924397375	/nfs/dbraw/zinc/39/73/75/924397375.db2.gz	CFPFMOPDFAURNQ-QPUJVOFHSA-N	-1	0	265.244	0.440	20	30		CCEDRM
C#CCOc1ccc(C(=O)N2CC[C@@H](c3nnn[n-]3)C2)cc1	ZINC001350233727	925150988	/nfs/dbraw/zinc/15/09/88/925150988.db2.gz	GXFOQKZHSMIXML-GFCCVEGCSA-N	-1	0	297.318	0.841	20	30		CCEDRM
N#CC1(CC(=O)N2CC[C@H](C(=O)[O-])C2)CCOCC1	ZINC001350353562	925177938	/nfs/dbraw/zinc/17/79/38/925177938.db2.gz	IAYIJDWZUKKDLP-JTQLQIEISA-N	-1	0	266.297	0.630	20	30		CCEDRM
C=CC[C@@H](NC(=O)NCCO[C@H]1CCOC1)C(=O)[O-]	ZINC001351010961	925335794	/nfs/dbraw/zinc/33/57/94/925335794.db2.gz	QOYJQJQNQYNFPI-VHSXEESVSA-N	-1	0	272.301	0.120	20	30		CCEDRM
C=CCN(c1nc2c(nc([O-])n(C)c2=O)[nH]1)C1CC1	ZINC001354150027	926027858	/nfs/dbraw/zinc/02/78/58/926027858.db2.gz	BKTZQWMPTGFRAZ-UHFFFAOYSA-N	-1	0	261.285	0.517	20	30		CCEDRM
C=CCNC(=O)C(C#N)=C([O-])c1cnn(CCOC)c1C	ZINC001356131986	926347514	/nfs/dbraw/zinc/34/75/14/926347514.db2.gz	UGUAJPMYLPDEHC-LLVKDONJSA-N	-1	0	290.323	0.463	20	30		CCEDRM
Cn1ccnc1C([O-])=C(C#N)C(=O)CCc1ccncn1	ZINC001357639806	926574591	/nfs/dbraw/zinc/57/45/91/926574591.db2.gz	QOPNTAHQPBEYGA-NSHDSACASA-N	-1	0	283.291	0.734	20	30		CCEDRM
C=C[C@@H](C)O[N-]C(=O)[C@H]1CC(c2cnn(C)c2)=NO1	ZINC001358353059	926678845	/nfs/dbraw/zinc/67/88/45/926678845.db2.gz	HATILUOLSJBZIW-LDYMZIIASA-N	-1	0	264.285	0.535	20	30		CCEDRM
CC(C)(C)c1coc(Cn2c(=O)[n-]cc(C#N)c2=O)n1	ZINC001421406150	926732798	/nfs/dbraw/zinc/73/27/98/926732798.db2.gz	ARMFULVURHADFZ-UHFFFAOYSA-N	-1	0	274.280	0.742	20	30		CCEDRM
C=CC[C@@H](NC(=O)COc1cc(C)on1)C(=O)[O-]	ZINC000150089374	926947104	/nfs/dbraw/zinc/94/71/04/926947104.db2.gz	IMGLMNAMETXBLV-MRVPVSSYSA-N	-1	0	254.242	0.507	20	30		CCEDRM
CC[C@H](C)C[C@H](CO)Nc1[n-]c(=O)n(C)c(=O)c1C#N	ZINC001413893705	926949682	/nfs/dbraw/zinc/94/96/82/926949682.db2.gz	NPECIYUMXJKTGT-DTWKUNHWSA-N	-1	0	280.328	0.154	20	30		CCEDRM
C=CC[C@H](NC(=O)[C@@H]1CS[C@]2(C)CCC(=O)N12)C(=O)[O-]	ZINC000150338324	926949909	/nfs/dbraw/zinc/94/99/09/926949909.db2.gz	MFPWCTJLIVJJED-MWODSPESSA-N	-1	0	298.364	0.586	20	30		CCEDRM
CN(Cc1ccco1)C(=O)Cn1cc(C#N)c(=O)[n-]c1=O	ZINC001361587232	927173302	/nfs/dbraw/zinc/17/33/02/927173302.db2.gz	XZFGDYWXTHMTTF-UHFFFAOYSA-N	-1	0	288.263	0.072	20	30		CCEDRM
CCN(C[C@@H](C)C#N)C(=O)CCCn1c(=O)[n-][nH]c1=O	ZINC001361658006	927229160	/nfs/dbraw/zinc/22/91/60/927229160.db2.gz	RCRZDTFLVUCDFS-VIFPVBQESA-N	-1	0	281.316	0.478	20	30		CCEDRM
CC1(C)CCC[C@@H]1NC(=O)Cn1cc(C#N)c(=O)[n-]c1=O	ZINC001362048984	927556457	/nfs/dbraw/zinc/55/64/57/927556457.db2.gz	PNHYMAHRHCAQQC-JTQLQIEISA-N	-1	0	290.323	0.515	20	30		CCEDRM
Cc1cc(C#N)c(=O)[n-]c1C(=O)NCCc1cnn(C)c1	ZINC001362062024	927573746	/nfs/dbraw/zinc/57/37/46/927573746.db2.gz	GPBXRQXZPKRJOD-UHFFFAOYSA-N	-1	0	285.307	0.673	20	30		CCEDRM
CS[C@H](CO)[C@@H](C)NC(=O)c1[n-]c(=O)c(C#N)cc1C	ZINC001362194994	927717694	/nfs/dbraw/zinc/71/76/94/927717694.db2.gz	FPNUPEVMPJVTPJ-PSASIEDQSA-N	-1	0	295.364	0.810	20	30		CCEDRM
Cc1cc(C#N)c(=O)[n-]c1C(=O)N1CCSC[C@H]1CO	ZINC001362271629	927806545	/nfs/dbraw/zinc/80/65/45/927806545.db2.gz	WGSMJULHVGOPFK-SNVBAGLBSA-N	-1	0	293.348	0.517	20	30		CCEDRM
N#CCc1cccc(NC(=O)c2n[nH]c(=O)[n-]c2=O)c1	ZINC001362452314	928038649	/nfs/dbraw/zinc/03/86/49/928038649.db2.gz	SSSUHJGQQDJWJS-UHFFFAOYSA-N	-1	0	271.236	0.601	20	30		CCEDRM
COc1n[nH]c(NC(=O)c2[n-]c(=O)c(C#N)cc2C)n1	ZINC001362488317	928090334	/nfs/dbraw/zinc/09/03/34/928090334.db2.gz	ONMLPRITMHONPJ-UHFFFAOYSA-N	-1	0	274.240	0.346	20	30		CCEDRM
Cc1cc(C#N)c(=O)[n-]c1C(=O)N[C@@H]1CCc2c[nH]nc2C1	ZINC001362567543	928186409	/nfs/dbraw/zinc/18/64/09/928186409.db2.gz	LAYZEGJLEKZIEN-LLVKDONJSA-N	-1	0	297.318	0.978	20	30		CCEDRM
Cc1cc(C#N)c(=O)[n-]c1C(=O)N[C@@H]1CCN(C)C(=O)C1	ZINC001362663707	928323812	/nfs/dbraw/zinc/32/38/12/928323812.db2.gz	GMYICXIRGMNCCK-SNVBAGLBSA-N	-1	0	288.307	0.318	20	30		CCEDRM
Cc1cc(C#N)c(=O)[n-]c1C(=O)N1CCc2nccnc2C1	ZINC001362699108	928377163	/nfs/dbraw/zinc/37/71/63/928377163.db2.gz	BCWZBARBJXADLB-UHFFFAOYSA-N	-1	0	295.302	0.956	20	30		CCEDRM
CCC[C@@H](O)[C@@H](CO)NC(=O)c1[n-]c(=O)c(C#N)cc1C	ZINC001362841065	928558548	/nfs/dbraw/zinc/55/85/48/928558548.db2.gz	XJIAOWHJTZUXBE-GHMZBOCLSA-N	-1	0	293.323	0.219	20	30		CCEDRM
N#Cc1nc(NC(=O)Cc2ccccc2CO)[n-]c1C#N	ZINC001362862579	928585346	/nfs/dbraw/zinc/58/53/46/928585346.db2.gz	ALARGDQSLDKZQE-UHFFFAOYSA-N	-1	0	281.275	0.827	20	30		CCEDRM
N#Cc1ccc(F)c(C(=O)[N-]n2ccc(=O)[nH]c2=O)c1	ZINC001363174877	928944333	/nfs/dbraw/zinc/94/43/33/928944333.db2.gz	STLACGKFWABUDD-UHFFFAOYSA-N	-1	0	274.211	0.344	20	30		CCEDRM
N#Cc1ccc([C@H](C(N)=O)N2CC[C@@H](c3nn[nH]n3)C2)cc1	ZINC001363812877	929602037	/nfs/dbraw/zinc/60/20/37/929602037.db2.gz	CITICXUCIHXTIR-VXGBXAGGSA-N	-1	0	297.322	0.087	20	30		CCEDRM
COCCN(CC(=O)[O-])C(=O)c1cnccc1C#N	ZINC001611009432	970845970	/nfs/dbraw/zinc/84/59/70/970845970.db2.gz	FGUZTFKOURQWRQ-UHFFFAOYSA-N	-1	0	263.253	0.126	20	30		CCEDRM
Cc1nsc(NC(=O)NC[C@@](C)(O)C(=O)[O-])c1C#N	ZINC001611266037	970959324	/nfs/dbraw/zinc/95/93/24/970959324.db2.gz	APWGETDKDBHTHD-SNVBAGLBSA-N	-1	0	284.297	0.280	20	30		CCEDRM
C#C[C@H](NC(=O)C1(C(=O)[O-])CC=CC1)C1CCOCC1	ZINC001602671697	971235229	/nfs/dbraw/zinc/23/52/29/971235229.db2.gz	FFZZNICCUWYORF-LBPRGKRZSA-N	-1	0	277.320	0.952	20	30		CCEDRM
C#C[C@H](NC(=O)[C@@H]1CC[C@H]1C(=O)[O-])[C@@H]1CCCO1	ZINC001602673584	971239956	/nfs/dbraw/zinc/23/99/56/971239956.db2.gz	WMUOVFDOIYSNHZ-ZNSHCXBVSA-N	-1	0	251.282	0.394	20	30		CCEDRM
C#C[C@@H]1COCCN1C(=O)Nc1cncc(C(=O)[O-])c1	ZINC001602675210	971246544	/nfs/dbraw/zinc/24/65/44/971246544.db2.gz	MOCUBKAFVCWZDV-LLVKDONJSA-N	-1	0	275.264	0.646	20	30		CCEDRM
C#CC[C@H](COC)NC(=O)[C@]1(C(=O)[O-])CC=CCC1	ZINC001602675422	971248751	/nfs/dbraw/zinc/24/87/51/971248751.db2.gz	VJLLSYKEGZGVRX-RISCZKNCSA-N	-1	0	265.309	0.952	20	30		CCEDRM
C#CC[C@@H](COC)NC(=O)C1(CC(=O)[O-])CCC1	ZINC001602675548	971250655	/nfs/dbraw/zinc/25/06/55/971250655.db2.gz	ZLEKXPVFCOSCSF-JTQLQIEISA-N	-1	0	253.298	0.786	20	30		CCEDRM
C#CCCOC(=O)N(CCNC(C)=O)[C@@H](C)C(=O)[O-]	ZINC001602675668	971251574	/nfs/dbraw/zinc/25/15/74/971251574.db2.gz	HXDLZZAHKXBPIZ-VIFPVBQESA-N	-1	0	270.285	0.058	20	30		CCEDRM
C#CCN(CC(=O)[O-])C(=O)/C=C\c1cnccc1C	ZINC001602681917	971264585	/nfs/dbraw/zinc/26/45/85/971264585.db2.gz	BXARPTDCSICSOG-PLNGDYQASA-N	-1	0	258.277	0.950	20	30		CCEDRM
C#CCN(CC(=O)[O-])C(=O)Nc1c(OC)ccnc1OC	ZINC001602688544	971291789	/nfs/dbraw/zinc/29/17/89/971291789.db2.gz	PFIQPFDQDRTXJI-UHFFFAOYSA-N	-1	0	293.279	0.651	20	30		CCEDRM
C#CCN(CC(=O)[O-])C(=O)c1sccc1-n1ccnn1	ZINC001602692293	971301783	/nfs/dbraw/zinc/30/17/83/971301783.db2.gz	KEPIPLYOEKEZKM-UHFFFAOYSA-N	-1	0	290.304	0.489	20	30		CCEDRM
C#CCN(CC(=O)[O-])C(=O)[C@@H]1C[C@H]1c1cccnc1	ZINC001602691539	971296583	/nfs/dbraw/zinc/29/65/83/971296583.db2.gz	MSHJDFMLAABMPM-NWDGAFQWSA-N	-1	0	258.277	0.732	20	30		CCEDRM
C#CCN(CC(=O)[O-])[C@@H]1CCCN(C(C)C)C1=O	ZINC001602695339	971306403	/nfs/dbraw/zinc/30/64/03/971306403.db2.gz	CWTWMGWEOUQDFK-LLVKDONJSA-N	-1	0	252.314	0.406	20	30		CCEDRM
C#CCN(CC(=O)[O-])Cc1ccc(C(=O)OCC)cn1	ZINC001602695788	971312579	/nfs/dbraw/zinc/31/25/79/971312579.db2.gz	SPKYAQULOJXFIC-UHFFFAOYSA-N	-1	0	276.292	0.778	20	30		CCEDRM
C#CCSCC(=O)N1CC[C@H](C)[C@@H](C(=O)[O-])C1	ZINC001602704764	971337454	/nfs/dbraw/zinc/33/74/54/971337454.db2.gz	RWAYDFWDVABACA-UWVGGRQHSA-N	-1	0	255.339	0.922	20	30		CCEDRM
C#CCn1ccc(CN(CC)C(=O)[C@@](C)(OC)C(=O)[O-])n1	ZINC001602704828	971338333	/nfs/dbraw/zinc/33/83/33/971338333.db2.gz	WIDJJZUZXWFDNF-CQSZACIVSA-N	-1	0	293.323	0.355	20	30		CCEDRM
C#Cc1ccc(COC(=O)c2cc(C(=O)[O-])nn2C)nc1	ZINC001602704829	971338360	/nfs/dbraw/zinc/33/83/60/971338360.db2.gz	WJIRLSJNFIPBNV-UHFFFAOYSA-N	-1	0	285.259	0.852	20	30		CCEDRM
C#Cc1cccc(N(C)C(=O)[C@H]2CC(C(=O)[O-])=NO2)c1	ZINC001602706990	971340525	/nfs/dbraw/zinc/34/05/25/971340525.db2.gz	GWDILDCESCOAQN-GFCCVEGCSA-N	-1	0	272.260	0.860	20	30		CCEDRM
C=C(C)C[C@H](NC(C)=O)C(=O)N(CCC)CC(=O)[O-]	ZINC001602710220	971350091	/nfs/dbraw/zinc/35/00/91/971350091.db2.gz	QGNVWIAZMHDMFP-NSHDSACASA-N	-1	0	270.329	0.781	20	30		CCEDRM
C=C(CCC(=O)OC)C(=O)NCCCCC(=O)[O-]	ZINC001602712432	971356480	/nfs/dbraw/zinc/35/64/80/971356480.db2.gz	QJJUVOKTMGTVBN-UHFFFAOYSA-N	-1	0	257.286	0.867	20	30		CCEDRM
C=C1CC(C)(C(=O)N2C[C@@H]3COC[C@]3(C(=O)[O-])C2)C1	ZINC001602712649	971357413	/nfs/dbraw/zinc/35/74/13/971357413.db2.gz	WIJISDKUQLXMKQ-QMTHXVAHSA-N	-1	0	265.309	0.902	20	30		CCEDRM
C=C[C@@H](OC(=O)c1ccc(C(=O)[O-])nc1)C(=O)OC	ZINC001602717128	971363663	/nfs/dbraw/zinc/36/36/63/971363663.db2.gz	ADLHFYBMFCBTQU-SECBINFHSA-N	-1	0	265.221	0.664	20	30		CCEDRM
C=C[C@H](OC(=O)C1(CC(=O)[O-])CCC1)C(=O)OC	ZINC001602717314	971366059	/nfs/dbraw/zinc/36/60/59/971366059.db2.gz	IBPOVWGPZDWSAL-QMMMGPOBSA-N	-1	0	256.254	0.902	20	30		CCEDRM
C=CCC[C@H](CO)NC(=O)[C@@H]1CO[C@H](CCC(=O)[O-])C1	ZINC001602719261	971383694	/nfs/dbraw/zinc/38/36/94/971383694.db2.gz	ZNQDDRJRKLRUOQ-QJPTWQEYSA-N	-1	0	285.340	0.700	20	30		CCEDRM
C=CCNC(=O)c1ccccc1NC(=O)[C@@H](OC)C(=O)[O-]	ZINC001602723154	971394384	/nfs/dbraw/zinc/39/43/84/971394384.db2.gz	PUFGKUYOGKBXJL-LLVKDONJSA-N	-1	0	292.291	0.641	20	30		CCEDRM
C=CCO[C@@H]1CCN(C(=O)[C@@](C)(OC)C(=O)[O-])C1	ZINC001602723248	971395459	/nfs/dbraw/zinc/39/54/59/971395459.db2.gz	XHFRQBIATOBMKV-BXKDBHETSA-N	-1	0	257.286	0.280	20	30		CCEDRM
C=C[C@H](CO)NC(=O)NC[C@H](C(=O)[O-])C1CCC1	ZINC001602730810	971409361	/nfs/dbraw/zinc/40/93/61/971409361.db2.gz	CNHRGAIBDAPJRD-ZJUUUORDSA-N	-1	0	256.302	0.333	20	30		CCEDRM
CC(=NN[C@@H](C)c1ccncc1)c1cn(CC(=O)[O-])nn1	ZINC001602737109	971428918	/nfs/dbraw/zinc/42/89/18/971428918.db2.gz	HYPMAUKAYVYEAL-VIFPVBQESA-N	-1	0	288.311	0.833	20	30		CCEDRM
C[C@](C#N)(CC(=O)[O-])C(=O)N1CC2(C1)CCCO2	ZINC001602779461	971516095	/nfs/dbraw/zinc/51/60/95/971516095.db2.gz	ZNPGNDPLTJGXKW-LLVKDONJSA-N	-1	0	252.270	0.382	20	30		CCEDRM
C[C@](C#N)(CC(=O)[O-])C(=O)N[C@@H]1Cc2cccc(O)c2C1	ZINC001602780545	971518926	/nfs/dbraw/zinc/51/89/26/971518926.db2.gz	ISLSXRKZBYSSBE-MEBBXXQBSA-N	-1	0	288.303	0.980	20	30		CCEDRM
C#CCN(CC(=O)[O-])C(=O)[C@H]1COc2ccccc2O1	ZINC000092476582	949143959	/nfs/dbraw/zinc/14/39/59/949143959.db2.gz	YEEXOWAVZCQMFS-GFCCVEGCSA-N	-1	0	275.260	0.373	20	30		CCEDRM
C#CCN(CC(=O)[O-])C(=O)c1cc2ccccc2oc1=O	ZINC000092476987	949144258	/nfs/dbraw/zinc/14/42/58/949144258.db2.gz	ATZLKOURNNGXRK-UHFFFAOYSA-N	-1	0	285.255	0.953	20	30		CCEDRM
C#CCN(CC(=O)[O-])C(=O)COc1ccc(OC)cc1	ZINC000092478418	949150305	/nfs/dbraw/zinc/15/03/05/949150305.db2.gz	XWERNAOOFSSFNY-UHFFFAOYSA-N	-1	0	277.276	0.620	20	30		CCEDRM
C#CCN(CC(=O)[O-])C(=O)c1ccc(C#N)c(C)n1	ZINC000092479042	949152456	/nfs/dbraw/zinc/15/24/56/949152456.db2.gz	XINTWCFZSCLZBJ-UHFFFAOYSA-N	-1	0	257.249	0.422	20	30		CCEDRM
O=C([O-])c1cccc(C(=O)N[C@H]2CCN(O)C2=O)c1	ZINC001595240274	949442119	/nfs/dbraw/zinc/44/21/19/949442119.db2.gz	HIPIDQIELIPBET-VIFPVBQESA-N	-1	0	264.237	0.105	20	30		CCEDRM
CCN(C(=O)C(=O)Nc1cccc(C#N)n1)[C@H](C)C(=O)[O-]	ZINC001589697411	950182391	/nfs/dbraw/zinc/18/23/91/950182391.db2.gz	SIUOZUZKECZCSG-MRVPVSSYSA-N	-1	0	290.279	0.213	20	30		CCEDRM
CCN(C[C@H](C)C#N)C(=O)CN(CC)[C@H](C)C(=O)[O-]	ZINC001589719344	950401942	/nfs/dbraw/zinc/40/19/42/950401942.db2.gz	DCRQRXHKXXYBAX-GHMZBOCLSA-N	-1	0	269.345	0.790	20	30		CCEDRM
CCN1CCC[C@H](NC(=O)[C@@](C)(C#N)CC(=O)[O-])C1=O	ZINC001589744901	950671931	/nfs/dbraw/zinc/67/19/31/950671931.db2.gz	JUAZNENYGNNANU-TVQRCGJNSA-N	-1	0	281.312	0.118	20	30		CCEDRM
CCOC(=O)N1CC[C@@H](NC(=O)[C@@](C)(C#N)CC(=O)[O-])C1	ZINC001590873186	951005064	/nfs/dbraw/zinc/00/50/64/951005064.db2.gz	KIUNVEXIGDEBCG-NOZJJQNGSA-N	-1	0	297.311	0.338	20	30		CCEDRM
CCOC(=O)[C@@H]1CC[C@H](NC(=O)[C@](C)(C#N)CC(=O)[O-])C1	ZINC001590958596	951029547	/nfs/dbraw/zinc/02/95/47/951029547.db2.gz	PBOQZOJKIWVYMJ-BFVZDQMLSA-N	-1	0	296.323	0.839	20	30		CCEDRM
C[C@H](C(=O)N1C[C@@H](C(=O)[O-])CC[C@H]1C)n1cnc(C#N)n1	ZINC001589300608	953691079	/nfs/dbraw/zinc/69/10/79/953691079.db2.gz	YOTDWWPNBBKBMT-BBBLOLIVSA-N	-1	0	291.311	0.422	20	30		CCEDRM
CCn1nnc(C)c1COC(=O)[C@@](C)(C#N)CC(=O)[O-]	ZINC001593674317	953900619	/nfs/dbraw/zinc/90/06/19/953900619.db2.gz	NKMBEUBKRNKSIR-GFCCVEGCSA-N	-1	0	280.284	0.654	20	30		CCEDRM
CC[C@](C)(C#N)NC(=O)[C@H]1CCCN(CC(=O)[O-])C1=O	ZINC001589448013	954782658	/nfs/dbraw/zinc/78/26/58/954782658.db2.gz	VIMNQOOZBCOUCI-NOZJJQNGSA-N	-1	0	281.312	0.118	20	30		CCEDRM
COC(=O)C1(C#N)CCN(C(=O)CCCC(=O)[O-])CC1	ZINC001593812717	954963126	/nfs/dbraw/zinc/96/31/26/954963126.db2.gz	JTMQVNTUOFFELC-UHFFFAOYSA-N	-1	0	282.296	0.547	20	30		CCEDRM
COC(=O)C1(C)CN(C(=O)[C@@](C)(C#N)CC(=O)[O-])C1	ZINC001593814164	954982072	/nfs/dbraw/zinc/98/20/72/954982072.db2.gz	YVLVVQJXZWYFAO-LLVKDONJSA-N	-1	0	268.269	0.012	20	30		CCEDRM
CC[C@@H](CNC(=O)C(=O)N1CCC(CC#N)CC1)C(=O)[O-]	ZINC001589519319	955087654	/nfs/dbraw/zinc/08/76/54/955087654.db2.gz	QVOCODYAHZPZIL-NSHDSACASA-N	-1	0	295.339	0.366	20	30		CCEDRM
Cc1onc(CC(=O)NC[C@H](C)C(=O)[O-])c1C#N	ZINC001594510125	955377005	/nfs/dbraw/zinc/37/70/05/955377005.db2.gz	CMWGUVDYXBOSRI-LURJTMIESA-N	-1	0	251.242	0.234	20	30		CCEDRM
C[C@H](CCC#N)CN1CCS(=O)(=O)C[C@H]1C(=O)[O-]	ZINC001589012859	955396087	/nfs/dbraw/zinc/39/60/87/955396087.db2.gz	KIWNRIICZHKOAP-ZJUUUORDSA-N	-1	0	274.342	0.110	20	30		CCEDRM
Cn1nc(C(=O)[O-])cc1C(=O)N1CCSC[C@H]1C#N	ZINC001594563598	955815888	/nfs/dbraw/zinc/81/58/88/955815888.db2.gz	HOCCXMOQPYRZAH-SSDOTTSWSA-N	-1	0	280.309	0.199	20	30		CCEDRM
CO[C@H](C(=O)[O-])C(=O)NCc1ccc(C#N)s1	ZINC001593909260	955958687	/nfs/dbraw/zinc/95/86/87/955958687.db2.gz	UDEWZNURCBBASX-QMMMGPOBSA-N	-1	0	254.267	0.336	20	30		CCEDRM
N#CC1(CC(=O)Nc2ccn(CC(=O)[O-])n2)CCOCC1	ZINC001594604107	956160155	/nfs/dbraw/zinc/16/01/55/956160155.db2.gz	OUCBHZFSKFDSOO-UHFFFAOYSA-N	-1	0	292.295	0.617	20	30		CCEDRM
N#CC1(CNC(=O)C2(C(=O)[O-])CCOCC2)CCOCC1	ZINC001594604435	956162663	/nfs/dbraw/zinc/16/26/63/956162663.db2.gz	USQDPSSSTUJVKK-UHFFFAOYSA-N	-1	0	296.323	0.304	20	30		CCEDRM
N#CC[C@H]1CCCN(C(=O)C(=O)N[C@H]2C[C@@H](C(=O)[O-])C2)C1	ZINC001594605483	956166978	/nfs/dbraw/zinc/16/69/78/956166978.db2.gz	DJYTXCQUHQLLON-MXWKQRLJSA-N	-1	0	293.323	0.118	20	30		CCEDRM
N#C[C@H]1COCCN1C(=O)c1coc(/C=C\C(=O)[O-])c1	ZINC001594606368	956181205	/nfs/dbraw/zinc/18/12/05/956181205.db2.gz	VYFZLOXEMGKIKZ-SYBPUXJVSA-N	-1	0	276.248	0.742	20	30		CCEDRM
N#CCNC(=O)CN[C@H](C(=O)[O-])c1ccc(F)cc1	ZINC001594609472	956191597	/nfs/dbraw/zinc/19/15/97/956191597.db2.gz	AJMYANDBFJYLHJ-NSHDSACASA-N	-1	0	265.244	0.181	20	30		CCEDRM
C[C@@](O)(CNC(=O)C1(C#N)CCCCC1)C(=O)[O-]	ZINC001589137932	956240951	/nfs/dbraw/zinc/24/09/51/956240951.db2.gz	CXURYIPGNWXFHL-LLVKDONJSA-N	-1	0	254.286	0.412	20	30		CCEDRM
N#Cc1ccc(N2C[C@H](C(=O)OCC(=O)[O-])CC2=O)cc1	ZINC001594621941	956288590	/nfs/dbraw/zinc/28/85/90/956288590.db2.gz	VFAQNVNSUATLDZ-SNVBAGLBSA-N	-1	0	288.259	0.539	20	30		CCEDRM
N#Cc1ccc(OCC(=O)NCC(=O)[O-])cc1Cl	ZINC001594623556	956297479	/nfs/dbraw/zinc/29/74/79/956297479.db2.gz	AIHMCBLLHVEQTK-UHFFFAOYSA-N	-1	0	268.656	0.791	20	30		CCEDRM
C[C@@H](OC(=O)CCC(=O)[O-])C(=O)N(C)CCC#N	ZINC001589155628	956371650	/nfs/dbraw/zinc/37/16/50/956371650.db2.gz	KAZLRKYMAFRHHX-MRVPVSSYSA-N	-1	0	256.258	0.155	20	30		CCEDRM
O=C([O-])c1ccc(/C=C\C(=O)N[C@@H]2CCN(O)C2=O)o1	ZINC001594670690	956615967	/nfs/dbraw/zinc/61/59/67/956615967.db2.gz	SCDPWXXBRVXLCR-DLRBJTRDSA-N	-1	0	280.236	0.097	20	30		CCEDRM
COCCN(CCC(=O)[O-])C(=O)NCC1(C#N)CCC1	ZINC001594004648	956951792	/nfs/dbraw/zinc/95/17/92/956951792.db2.gz	CCJCPOYFKVFLBN-UHFFFAOYSA-N	-1	0	283.328	0.813	20	30		CCEDRM
Cc1cc(C(=O)[O-])cc(C(=O)N2CCN(CC#N)CC2)c1	ZINC001594285051	957771108	/nfs/dbraw/zinc/77/11/08/957771108.db2.gz	UCCGYNGOJDWJLD-UHFFFAOYSA-N	-1	0	287.319	0.975	20	30		CCEDRM
CON(C(=O)c1cc(O)cc(C#N)c1)[C@@H](C)C(=O)[O-]	ZINC001594034136	957792854	/nfs/dbraw/zinc/79/28/54/957792854.db2.gz	KPKQPPSUWLDIFH-ZETCQYMHSA-N	-1	0	264.237	0.741	20	30		CCEDRM
C#C[C@@H]1CCCN(C(=O)C(=O)N(C)C[C@H](C)C(=O)[O-])C1	ZINC001588385550	957971372	/nfs/dbraw/zinc/97/13/72/957971372.db2.gz	GPMREMHXBIETJE-WDEREUQCSA-N	-1	0	280.324	0.037	20	30		CCEDRM
C#C[C@H](NC(=O)N[C@H]1CC[C@@H](C(=O)[O-])C1)C1CCOCC1	ZINC001588385393	957971927	/nfs/dbraw/zinc/97/19/27/957971927.db2.gz	FOKUXPGDRCUKFZ-AGIUHOORSA-N	-1	0	294.351	0.967	20	30		CCEDRM
C#C[C@H](NC(=O)N1CCC[C@@H](C(=O)[O-])C1)C1CCOCC1	ZINC001588386404	957978244	/nfs/dbraw/zinc/97/82/44/957978244.db2.gz	QWBJCKVTEMFSTC-OLZOCXBDSA-N	-1	0	294.351	0.921	20	30		CCEDRM
C#C[C@H](CO)NC(=O)Nc1cccc(CC(=O)[O-])c1	ZINC001588387425	957988757	/nfs/dbraw/zinc/98/87/57/957988757.db2.gz	JPQIKIOIHGCMAW-SNVBAGLBSA-N	-1	0	262.265	0.429	20	30		CCEDRM
C#C[C@H](C)N(C)C(=O)C(=O)Nc1ccccc1CC(=O)[O-]	ZINC001588388765	958000307	/nfs/dbraw/zinc/00/03/07/958000307.db2.gz	ZQEMPQUAASTMOK-JTQLQIEISA-N	-1	0	288.303	0.732	20	30		CCEDRM
C#CC[C@@H](CO)NC(=O)NC[C@H](C(=O)[O-])C(C)C	ZINC001588389060	958004592	/nfs/dbraw/zinc/00/45/92/958004592.db2.gz	LNQKFEZKOQEXST-UWVGGRQHSA-N	-1	0	256.302	0.027	20	30		CCEDRM
C#CCCCn1nnnc1N1CCC(C)(C(=O)[O-])CC1	ZINC001588390822	958015791	/nfs/dbraw/zinc/01/57/91/958015791.db2.gz	LOWUBVKOYQWOBE-UHFFFAOYSA-N	-1	0	277.328	0.778	20	30		CCEDRM
C#CCN(CC#N)C(=O)c1coc(/C=C/C(=O)[O-])c1	ZINC001588394963	958036917	/nfs/dbraw/zinc/03/69/17/958036917.db2.gz	HHFCAXGCQYWCAH-ONEGZZNKSA-N	-1	0	258.233	0.976	20	30		CCEDRM
C#CCN(C(=O)[C@H]1CO[C@H](CCC(=O)[O-])C1)C1CSC1	ZINC001588395660	958042697	/nfs/dbraw/zinc/04/26/97/958042697.db2.gz	KBMQFMAIRRFKBS-ZYHUDNBSSA-N	-1	0	297.376	0.834	20	30		CCEDRM
C#CCN(CC(=O)[O-])C(=O)[C@@H]1CC(c2cccnc2)=NO1	ZINC001588399730	958075558	/nfs/dbraw/zinc/07/55/58/958075558.db2.gz	OHTXEWWXPVYNKK-LBPRGKRZSA-N	-1	0	287.275	0.121	20	30		CCEDRM
C#CCN(CC(=O)[O-])C(=O)C1CCN(C(=O)OC)CC1	ZINC001588399863	958075572	/nfs/dbraw/zinc/07/55/72/958075572.db2.gz	PTZWJKSNHGMUAB-UHFFFAOYSA-N	-1	0	282.296	0.011	20	30		CCEDRM
C#CCN(CC(=O)[O-])C(=O)COc1ccccc1C=O	ZINC001588406693	958096793	/nfs/dbraw/zinc/09/67/93/958096793.db2.gz	CSVCHAQJTAPDKG-UHFFFAOYSA-N	-1	0	275.260	0.424	20	30		CCEDRM
C#CCN(CC(=O)[O-])C(=O)Cc1c[nH]c2ncccc12	ZINC001588407395	958099304	/nfs/dbraw/zinc/09/93/04/958099304.db2.gz	LUPPEZXDTHLVPJ-UHFFFAOYSA-N	-1	0	271.276	0.652	20	30		CCEDRM
C#CCN(CC(=O)[O-])C(=O)Cc1ccc(O)c(F)c1	ZINC001588407880	958104597	/nfs/dbraw/zinc/10/45/97/958104597.db2.gz	XZSGUKLQFSQKDD-UHFFFAOYSA-N	-1	0	265.240	0.620	20	30		CCEDRM
C#CCN(CC(=O)[O-])C(=O)NCc1cccc(OC)n1	ZINC001588409513	958128231	/nfs/dbraw/zinc/12/82/31/958128231.db2.gz	YJRVSUQOBVJWCO-UHFFFAOYSA-N	-1	0	277.280	0.320	20	30		CCEDRM
C#CCN(CC(=O)[O-])C(=O)N[C@@H]1C[N@H+](C2CC2)C[C@H]1C	ZINC001588410140	958135517	/nfs/dbraw/zinc/13/55/17/958135517.db2.gz	PLEULUOQXTTYFA-ZYHUDNBSSA-N	-1	0	279.340	0.199	20	30		CCEDRM
C#CCN(CC(=O)[O-])C(=O)NC1CC2(C1)CO[C@H](C)C2	ZINC001588410700	958141896	/nfs/dbraw/zinc/14/18/96/958141896.db2.gz	YVWDMOZXFFCBIH-CDWSIMAYSA-N	-1	0	280.324	0.673	20	30		CCEDRM
C#CCN(CC(=O)[O-])C(=O)Nc1cnc(N(C)C)nc1	ZINC001588412712	958153376	/nfs/dbraw/zinc/15/33/76/958153376.db2.gz	IHRVMZHVQXFHJA-UHFFFAOYSA-N	-1	0	277.284	0.094	20	30		CCEDRM
C#CCN(CC(=O)[O-])C(=O)Nc1ccc(N)c([N+](=O)[O-])c1	ZINC001588413074	958156303	/nfs/dbraw/zinc/15/63/03/958156303.db2.gz	QYSSLLNYAYNERJ-UHFFFAOYSA-N	-1	0	292.251	0.729	20	30		CCEDRM
C#CCN(CC(=O)[O-])C(=O)c1ccc(/C=C/C(=O)OC)o1	ZINC001588416259	958162879	/nfs/dbraw/zinc/16/28/79/958162879.db2.gz	KTRFZFYVIXUWDA-FNORWQNLSA-N	-1	0	291.259	0.626	20	30		CCEDRM
C#CCN(CC(=O)[O-])C(=O)c1cc(C(F)(F)F)nn1C	ZINC001588417214	958167115	/nfs/dbraw/zinc/16/71/15/958167115.db2.gz	BRDWVOFGWSRUDS-UHFFFAOYSA-N	-1	0	289.213	0.599	20	30		CCEDRM
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C#CCN(CC(=O)[O-])C(=O)c1[nH]ncc1C(F)(F)F	ZINC001588417595	958176082	/nfs/dbraw/zinc/17/60/82/958176082.db2.gz	YCYWAZPQVDIGTH-UHFFFAOYSA-N	-1	0	275.186	0.589	20	30		CCEDRM
C#CCN(CC(=O)[O-])C(=O)c1cncnc1C(C)C	ZINC001588418421	958179217	/nfs/dbraw/zinc/17/92/17/958179217.db2.gz	FMTHWWGORZABDK-UHFFFAOYSA-N	-1	0	261.281	0.760	20	30		CCEDRM
C#CCN(CC(=O)[O-])C(=O)c1ccccc1OCC#N	ZINC001588418696	958183421	/nfs/dbraw/zinc/18/34/21/958183421.db2.gz	DNAZSMXNRZXLDU-UHFFFAOYSA-N	-1	0	272.260	0.749	20	30		CCEDRM
C#CCN(CC(=O)[O-])C(=O)c1nc(Cl)cs1	ZINC001588418847	958187300	/nfs/dbraw/zinc/18/73/00/958187300.db2.gz	UXBFNVQIGXXNOV-UHFFFAOYSA-N	-1	0	258.686	0.957	20	30		CCEDRM
C#CCN(CC(=O)[O-])C(=O)c1cccn(C2CC2)c1=O	ZINC001588419090	958191241	/nfs/dbraw/zinc/19/12/41/958191241.db2.gz	QFSMWURGWYJPCD-UHFFFAOYSA-N	-1	0	274.276	0.343	20	30		CCEDRM
C#CCN(CC(=O)[O-])C(=O)c1cccnc1N(C)C	ZINC001588419148	958193039	/nfs/dbraw/zinc/19/30/39/958193039.db2.gz	UAEILNPUHPZROI-UHFFFAOYSA-N	-1	0	261.281	0.308	20	30		CCEDRM
C#CCN(CC(=O)[O-])C[C@H]1CCC[C@@]2(CCOC2)O1	ZINC001588423631	958205019	/nfs/dbraw/zinc/20/50/19/958205019.db2.gz	AAIJWKLZQWHOQY-OCCSQVGLSA-N	-1	0	267.325	0.734	20	30		CCEDRM
C[C@H](NC(=O)[C@@](C)(C#N)CC(=O)[O-])c1nnnn1C1CC1	ZINC001603216249	972330205	/nfs/dbraw/zinc/33/02/05/972330205.db2.gz	PEZPENGRJODETQ-JVXZTZIISA-N	-1	0	292.299	0.190	20	30		CCEDRM
C#CCN1CCC[C@H](NC(=O)N[C@@H](C)CC(=O)[O-])C1	ZINC001588429854	958251026	/nfs/dbraw/zinc/25/10/26/958251026.db2.gz	FJZGBJVHMUSGRU-QWRGUYRKSA-N	-1	0	267.329	0.246	20	30		CCEDRM
C#CCN1CCCN(C(=O)[C@H](C(=O)[O-])C2CC2)CC1	ZINC001588430164	958252144	/nfs/dbraw/zinc/25/21/44/958252144.db2.gz	IVLWJRMVOLQKHH-GFCCVEGCSA-N	-1	0	264.325	0.265	20	30		CCEDRM
C#CCNC(=O)[C@@H](C)OC(=O)[C@H](C(=O)[O-])C(C)C	ZINC001588430215	958253079	/nfs/dbraw/zinc/25/30/79/958253079.db2.gz	JWTYDLZDDHNBEV-BDAKNGLRSA-N	-1	0	255.270	0.024	20	30		CCEDRM
C#CCNC(=O)[C@H](C)OC(=O)[C@@H](C(=O)[O-])C(C)C	ZINC001588430218	958253453	/nfs/dbraw/zinc/25/34/53/958253453.db2.gz	JWTYDLZDDHNBEV-DTWKUNHWSA-N	-1	0	255.270	0.024	20	30		CCEDRM
C#CCOCCC(=O)N1C[C@@H](C(=O)[O-])CC[C@@H]1C	ZINC001588431675	958272012	/nfs/dbraw/zinc/27/20/12/958272012.db2.gz	UWOXHNHCQFDIDU-QWRGUYRKSA-N	-1	0	253.298	0.738	20	30		CCEDRM
C#CCOCCC(=O)N[C@@H](Cc1ccncc1)C(=O)[O-]	ZINC001588431731	958274407	/nfs/dbraw/zinc/27/44/07/958274407.db2.gz	VTBXWKBCEPSZOA-LBPRGKRZSA-N	-1	0	276.292	0.233	20	30		CCEDRM
C#CCn1cc(CNC(=O)c2ccc(C(=O)[O-])nc2)cn1	ZINC001588434199	958305227	/nfs/dbraw/zinc/30/52/27/958305227.db2.gz	ZZJKQSBMZIPKIH-UHFFFAOYSA-N	-1	0	284.275	0.540	20	30		CCEDRM
C=C(C)[C@@H]1OCC[C@H]1CNC(=O)[C@](C)(OC)C(=O)[O-]	ZINC001588441072	958334282	/nfs/dbraw/zinc/33/42/82/958334282.db2.gz	FGMVNGLMRFCCQU-KWBADKCTSA-N	-1	0	271.313	0.574	20	30		CCEDRM
C=C(C)[C@@H](CC(=O)N1C[C@H]2COC[C@@]2(C(=O)[O-])C1)OCC	ZINC001588441764	958339388	/nfs/dbraw/zinc/33/93/88/958339388.db2.gz	LGVCBRYLNCKBAR-ZOWXZIJZSA-N	-1	0	297.351	0.917	20	30		CCEDRM
C=C(CCC(=O)OC)C(=O)N1CC[C@](COC)(C(=O)[O-])C1	ZINC001588444701	958364532	/nfs/dbraw/zinc/36/45/32/958364532.db2.gz	OKZJMRDUQGZWFB-AWEZNQCLSA-N	-1	0	299.323	0.446	20	30		CCEDRM
C=C[C@@](C)(CCOC)C(=O)Nc1ncn(CC(=O)[O-])n1	ZINC001588450799	958400265	/nfs/dbraw/zinc/40/02/65/958400265.db2.gz	CNQJILQJEZWMOC-LBPRGKRZSA-N	-1	0	282.300	0.530	20	30		CCEDRM
C=C[C@@H](COC)NC(=O)N1CCC[C@@H](C(=O)[O-])C1	ZINC001588451073	958404771	/nfs/dbraw/zinc/40/47/71/958404771.db2.gz	LLEMHGHEDNMXNH-ZJUUUORDSA-N	-1	0	256.302	0.694	20	30		CCEDRM
C=C[C@H](COC)NC(=O)c1cnc(C(=O)[O-])cn1	ZINC001588452233	958420627	/nfs/dbraw/zinc/42/06/27/958420627.db2.gz	LQLDHSFDBXQVSQ-SSDOTTSWSA-N	-1	0	251.242	0.106	20	30		CCEDRM
C=CC[C@@H](C)NC(=O)N[C@H]1CCCCN(CC(=O)[O-])C1=O	ZINC001588452766	958427633	/nfs/dbraw/zinc/42/76/33/958427633.db2.gz	JLQSHBXZEICELO-MNOVXSKESA-N	-1	0	297.355	0.716	20	30		CCEDRM
C=CCC(F)(F)C(=O)Nc1ncn(CC(=O)[O-])n1	ZINC001588453212	958433759	/nfs/dbraw/zinc/43/37/59/958433759.db2.gz	SAIGPZZHCSSESX-UHFFFAOYSA-N	-1	0	260.200	0.513	20	30		CCEDRM
C=CCC(F)(F)C(=O)N[C@H](C(=O)[O-])c1ccnn1C	ZINC001588453274	958434576	/nfs/dbraw/zinc/43/45/76/958434576.db2.gz	UCJLBZBEYSTXID-QMMMGPOBSA-N	-1	0	273.239	0.873	20	30		CCEDRM
C=C[C@H](O)c1nnc(N2CC[C@H](C(=O)[O-])C2)n1CCOC	ZINC001588453376	958436132	/nfs/dbraw/zinc/43/61/32/958436132.db2.gz	YCGQYHQDUJBMCK-UWVGGRQHSA-N	-1	0	296.327	0.055	20	30		CCEDRM
C=CC[C@@H](CO)NC(=O)NC1CCC(C(=O)[O-])CC1	ZINC001588453391	958436638	/nfs/dbraw/zinc/43/66/38/958436638.db2.gz	WKCIQFGIJMXIJR-ILDUYXDCSA-N	-1	0	270.329	0.866	20	30		CCEDRM
C=CC[C@H](CO)NC(=O)[C@H]1CO[C@@H](CCC(=O)[O-])C1	ZINC001588453500	958439966	/nfs/dbraw/zinc/43/99/66/958439966.db2.gz	ZDNJGUXFWYWNEC-MXWKQRLJSA-N	-1	0	271.313	0.310	20	30		CCEDRM
C=CC[C@@H]1CCN1C(=O)C(=O)Nc1cccnc1C(=O)[O-]	ZINC001588456918	958440022	/nfs/dbraw/zinc/44/00/22/958440022.db2.gz	AAVCARPKWTYLFD-SECBINFHSA-N	-1	0	289.291	0.895	20	30		CCEDRM
C=CCN(CCC#N)[C@H]1CCN(CC(=O)[O-])C1=O	ZINC001588463350	958483428	/nfs/dbraw/zinc/48/34/28/958483428.db2.gz	NNVMMFAUFMUGIU-JTQLQIEISA-N	-1	0	251.286	0.074	20	30		CCEDRM
C=CCN1CC[C@H](N(C)C(=O)C2(CC(=O)[O-])CCC2)C1=O	ZINC001588463947	958486877	/nfs/dbraw/zinc/48/68/77/958486877.db2.gz	CIOBLMILCUROIT-NSHDSACASA-N	-1	0	294.351	0.877	20	30		CCEDRM
C=CCN(CCc1ccco1)C(=O)[C@@H](OC)C(=O)[O-]	ZINC001588464545	958492937	/nfs/dbraw/zinc/49/29/37/958492937.db2.gz	ZSZUTJLCOZHCHJ-LLVKDONJSA-N	-1	0	267.281	0.936	20	30		CCEDRM
C=CCO[C@H]1CCN(CN2C[C@H](C(=O)[O-])CC2=O)C1	ZINC001588465160	958498146	/nfs/dbraw/zinc/49/81/46/958498146.db2.gz	NQHDXLIFHFGZLG-MNOVXSKESA-N	-1	0	268.313	0.154	20	30		CCEDRM
C=CC[C@H](CO)CNC(=O)c1cc(C(=O)[O-])n[nH]1	ZINC001573330008	958515462	/nfs/dbraw/zinc/51/54/62/958515462.db2.gz	RPVQNYLTRHGHQG-ZETCQYMHSA-N	-1	0	253.258	0.022	20	30		CCEDRM
C=C[C@@H]1OCC[C@H]1NC(=O)c1ccc(C(=O)[O-])nc1	ZINC001573340602	958538348	/nfs/dbraw/zinc/53/83/48/958538348.db2.gz	UOGHZILQHWRNSE-KOLCDFICSA-N	-1	0	262.265	0.853	20	30		CCEDRM
C=CCCC(=O)N1CCS(=O)(=O)C[C@H]1CC(=O)[O-]	ZINC000124623511	958540399	/nfs/dbraw/zinc/54/03/99/958540399.db2.gz	YFXJQPXMOFWZPB-SECBINFHSA-N	-1	0	275.326	0.053	20	30		CCEDRM
CC#CC[C@H](CO)NC(=O)NCCCCCC(=O)[O-]	ZINC001588478450	958566921	/nfs/dbraw/zinc/56/69/21/958566921.db2.gz	AFHWEPKVYTXMGX-LLVKDONJSA-N	-1	0	270.329	0.705	20	30		CCEDRM
C=C[C@@H]1OCC[C@H]1C(=O)N1CCC[C@@H](C(=O)[O-])C1	ZINC001588478548	958568757	/nfs/dbraw/zinc/56/87/57/958568757.db2.gz	NWZYNKJNYWTIRP-MXWKQRLJSA-N	-1	0	253.298	0.901	20	30		CCEDRM
CC#CC[C@H](CO)NC(=O)/C=C\c1ccc(C(=O)[O-])o1	ZINC001588478906	958575183	/nfs/dbraw/zinc/57/51/83/958575183.db2.gz	PAPSRAYYNGXRPA-BJPMOSCESA-N	-1	0	277.276	0.882	20	30		CCEDRM
CC#CCCCC(=O)N1C[C@@H]2COC[C@]2(C(=O)[O-])C1	ZINC001588479067	958577823	/nfs/dbraw/zinc/57/78/23/958577823.db2.gz	VYEXTOCKHADZDF-BXUZGUMPSA-N	-1	0	265.309	0.740	20	30		CCEDRM
CC(=O)c1cnccc1NC(=O)[C@@](C)(C#N)CC(=O)[O-]	ZINC001573359605	958585319	/nfs/dbraw/zinc/58/53/19/958585319.db2.gz	FAYWDVIPLOBPNZ-CYBMUJFWSA-N	-1	0	275.264	0.649	20	30		CCEDRM
C[C@@](C#N)(CC(=O)[O-])C(=O)N[C@H]1CCC2(C1)OCCO2	ZINC001573364225	958612700	/nfs/dbraw/zinc/61/27/00/958612700.db2.gz	OGMSXYINNURLQC-CABZTGNLSA-N	-1	0	282.296	0.403	20	30		CCEDRM
C[C@](C#N)(CC(=O)[O-])C(=O)N[C@@H]1C[C@H]2CC[C@@H]1O2	ZINC001573365801	958623918	/nfs/dbraw/zinc/62/39/18/958623918.db2.gz	XDCGNHANALZWST-KZFFXBSXSA-N	-1	0	252.270	0.427	20	30		CCEDRM
N#C[C@@H]1CN(C(=O)c2ccc(C(=O)[O-])o2)CCO1	ZINC000132820958	958803768	/nfs/dbraw/zinc/80/37/68/958803768.db2.gz	NYNKKKILMMGDBY-SSDOTTSWSA-N	-1	0	250.210	0.342	20	30		CCEDRM
CC(C)(CC#N)CNC(=O)c1cc(C(=O)[O-])n[nH]1	ZINC001573467471	958937258	/nfs/dbraw/zinc/93/72/58/958937258.db2.gz	CYIXWLGGRJYOKA-UHFFFAOYSA-N	-1	0	250.258	0.778	20	30		CCEDRM
C[C@](C#N)(CC(=O)[O-])C(=O)N[C@@H]1COC2(CCC2)C1	ZINC001588538863	958945489	/nfs/dbraw/zinc/94/54/89/958945489.db2.gz	ORNRVOIBKQJCDE-JOYOIKCWSA-N	-1	0	266.297	0.819	20	30		CCEDRM
C[C@H](C#N)CN(C)S(=O)(=O)N1[C@H](C)CC[C@@H]1C(=O)[O-]	ZINC001588543731	958983961	/nfs/dbraw/zinc/98/39/61/958983961.db2.gz	QOIFDZBUISROCG-OPRDCNLKSA-N	-1	0	289.357	0.260	20	30		CCEDRM
C#CC[C@@H](NC(=O)c1cn2c(cccc2C)n1)C(=O)[O-]	ZINC000149634458	959021417	/nfs/dbraw/zinc/02/14/17/959021417.db2.gz	AZKKIFNNZSPJGK-SNVBAGLBSA-N	-1	0	271.276	0.849	20	30		CCEDRM
CC(C)[C@H](CNC(=O)Nc1nn(C)cc1C#N)C(=O)[O-]	ZINC001573499209	959047857	/nfs/dbraw/zinc/04/78/57/959047857.db2.gz	ROUPQQDXYVCYFO-VIFPVBQESA-N	-1	0	279.300	0.770	20	30		CCEDRM
C[C@@](C#N)(CC(=O)[O-])C(=O)NC[C@@H]1CN(C2CC2)C(=O)O1	ZINC001588557096	959064337	/nfs/dbraw/zinc/06/43/37/959064337.db2.gz	FUMXYKRYFCHTCG-RNCFNFMXSA-N	-1	0	295.295	0.090	20	30		CCEDRM
C[C@@](C#N)(CC(=O)[O-])C(=O)NCCOC1CCOCC1	ZINC001588557217	959066730	/nfs/dbraw/zinc/06/67/30/959066730.db2.gz	GRQCPXGOZJXIQN-ZDUSSCGKSA-N	-1	0	284.312	0.303	20	30		CCEDRM
C#CC[C@H](NS(=O)(=O)c1ccc(CC#N)cc1)C(=O)[O-]	ZINC000159590398	959121453	/nfs/dbraw/zinc/12/14/53/959121453.db2.gz	PGPVPCAHRJSHKX-LBPRGKRZSA-N	-1	0	292.316	0.507	20	30		CCEDRM
Cc1cncc(CCNC(=O)[C@@](C)(C#N)CC(=O)[O-])n1	ZINC001594433826	959206562	/nfs/dbraw/zinc/20/65/62/959206562.db2.gz	UTVOJWGLXNURJX-CYBMUJFWSA-N	-1	0	276.296	0.448	20	30		CCEDRM
COC(=O)CC[C@@H](NC(=O)C#Cc1ccccc1)C(=O)[O-]	ZINC000168725042	959385543	/nfs/dbraw/zinc/38/55/43/959385543.db2.gz	DWFXMXSRZYIZBA-GFCCVEGCSA-N	-1	0	289.287	0.561	20	30		CCEDRM
CC(C)(C)[C@@H](C#N)NC(=O)c1cc(C(=O)[O-])n[nH]1	ZINC001588630883	959607170	/nfs/dbraw/zinc/60/71/70/959607170.db2.gz	MSKQERAGMPNJFJ-MRVPVSSYSA-N	-1	0	250.258	0.776	20	30		CCEDRM
C[C@](C#N)(CC(=O)[O-])C(=O)N1CCO[C@](C)(C#N)C1	ZINC001573643838	959629310	/nfs/dbraw/zinc/62/93/10/959629310.db2.gz	SMQNQLHYCDRIMN-VXGBXAGGSA-N	-1	0	265.269	0.132	20	30		CCEDRM
COCCN(CC(=O)[O-])c1nc(C)cc(C#N)n1	ZINC000231892879	960213164	/nfs/dbraw/zinc/21/31/64/960213164.db2.gz	ZIBLFXKXUMEUNP-UHFFFAOYSA-N	-1	0	250.258	0.194	20	30		CCEDRM
CCN(CC(=O)[O-])S(=O)(=O)c1cccnc1C#N	ZINC000233428261	960319971	/nfs/dbraw/zinc/31/99/71/960319971.db2.gz	IVVYGXUSZDTMIV-UHFFFAOYSA-N	-1	0	269.282	0.048	20	30		CCEDRM
N#C[C@H]1CC[C@@H](NS(=O)(=O)N2CCC[C@H]2C(=O)[O-])C1	ZINC001574240782	960462391	/nfs/dbraw/zinc/46/23/91/960462391.db2.gz	ADCCTTXJJTZLDL-AEJSXWLSSA-N	-1	0	287.341	0.062	20	30		CCEDRM
C[C@](CO)(NC(=O)[C@@H]1C[C@H]1c1cccc(C#N)c1)C(=O)[O-]	ZINC001571034237	960498395	/nfs/dbraw/zinc/49/83/95/960498395.db2.gz	BADNYBWGFQOXEG-YWPYICTPSA-N	-1	0	288.303	0.614	20	30		CCEDRM
N#Cc1ccc(S(=O)(=O)N2CC[C@@H](C(=O)[O-])C2)nc1	ZINC001574249814	960504576	/nfs/dbraw/zinc/50/45/76/960504576.db2.gz	MSDQSGLABJXHES-SECBINFHSA-N	-1	0	281.293	0.048	20	30		CCEDRM
C[C@@H]1CN(C(=O)Nc2nn(C)cc2C#N)CC[C@H]1C(=O)[O-]	ZINC001573750039	960548785	/nfs/dbraw/zinc/54/87/85/960548785.db2.gz	UQRNJRWMLRPMHA-PSASIEDQSA-N	-1	0	291.311	0.866	20	30		CCEDRM
N#Cc1ccc(C(=O)N[C@@H](Cc2cncs2)C(=O)[O-])[nH]1	ZINC001571039457	960560018	/nfs/dbraw/zinc/56/00/18/960560018.db2.gz	YASJEFDBXYUOSG-JTQLQIEISA-N	-1	0	290.304	0.769	20	30		CCEDRM
C[C@@H](O)[C@H](NC(=O)c1cccc(SCC#N)c1)C(=O)[O-]	ZINC001571050505	960666658	/nfs/dbraw/zinc/66/66/58/960666658.db2.gz	DGRMPNUNJCYVQI-KCJUWKMLSA-N	-1	0	294.332	0.866	20	30		CCEDRM
CC[C@@H](CNC(=O)N1CC[C@@](O)(CC#N)C1)C(=O)[O-]	ZINC001573798922	960807027	/nfs/dbraw/zinc/80/70/27/960807027.db2.gz	FVXLBBJVIAACQQ-CABZTGNLSA-N	-1	0	269.301	0.157	20	30		CCEDRM
CCC[C@H](CCO)CNC(=O)[C@](C)(C#N)CC(=O)[O-]	ZINC001573836406	961056247	/nfs/dbraw/zinc/05/62/47/961056247.db2.gz	SJKKQXRDHZODJS-MFKMUULPSA-N	-1	0	270.329	0.906	20	30		CCEDRM
Cn1c(C#N)ccc1C(=O)Nc1n[nH]cc1C(=O)[O-]	ZINC001574449589	961466412	/nfs/dbraw/zinc/46/64/12/961466412.db2.gz	PKETUKXNDLGEMY-UHFFFAOYSA-N	-1	0	259.225	0.570	20	30		CCEDRM
Cn1nc(C(=O)[O-])cc1C(=O)OCc1ccc(C#N)cn1	ZINC001574467243	961582415	/nfs/dbraw/zinc/58/24/15/961582415.db2.gz	ZEEYKHYPTRPKDN-UHFFFAOYSA-N	-1	0	286.247	0.742	20	30		CCEDRM
N#CCn1cc(NC(=O)[C@H]2CO[C@@H](CCC(=O)[O-])C2)cn1	ZINC001574479568	961650888	/nfs/dbraw/zinc/65/08/88/961650888.db2.gz	JYBIWYPKKXURNZ-KOLCDFICSA-N	-1	0	292.295	0.615	20	30		CCEDRM
N#CCc1cccc(NC(=O)N[C@]2(C(=O)[O-])CCOC2)n1	ZINC001574479617	961652169	/nfs/dbraw/zinc/65/21/69/961652169.db2.gz	MAKYKCFWNUXEBI-CYBMUJFWSA-N	-1	0	290.279	0.513	20	30		CCEDRM
N#Cc1cc(C(=O)N[C@@H](Cc2ccncc2)C(=O)[O-])co1	ZINC001574479921	961654198	/nfs/dbraw/zinc/65/41/98/961654198.db2.gz	QNLOEDPELSMBDD-LBPRGKRZSA-N	-1	0	285.259	0.972	20	30		CCEDRM
N#CCC1(CS(=O)(=O)N[C@H]2CCC[C@H]2C(=O)[O-])CC1	ZINC001574480983	961667826	/nfs/dbraw/zinc/66/78/26/961667826.db2.gz	RZQQZIHOLFIIRQ-ZJUUUORDSA-N	-1	0	286.353	0.853	20	30		CCEDRM
N#Cc1cc(F)cc(NC(=O)c2cn(CC(=O)[O-])nn2)c1	ZINC001574485984	961679992	/nfs/dbraw/zinc/67/99/92/961679992.db2.gz	OCOYZKCPKYIXQK-UHFFFAOYSA-N	-1	0	289.226	0.626	20	30		CCEDRM
N#Cc1ccc(N2C[C@@H](C(=O)NCC(=O)[O-])CC2=O)cc1	ZINC001574487674	961686820	/nfs/dbraw/zinc/68/68/20/961686820.db2.gz	FIGCPIAHIJFNSA-JTQLQIEISA-N	-1	0	287.275	0.112	20	30		CCEDRM
CC(C)C[C@H](C#N)NC(=O)c1cc(C(=O)[O-])nn1C	ZINC001588846061	961870627	/nfs/dbraw/zinc/87/06/27/961870627.db2.gz	XOWYICXKUFRPLQ-MRVPVSSYSA-N	-1	0	264.285	0.786	20	30		CCEDRM
CC(C)C[C@@H](CNC(=O)[C@H](C)n1cnc(C#N)n1)C(=O)[O-]	ZINC001588847119	961894305	/nfs/dbraw/zinc/89/43/05/961894305.db2.gz	BIDNPWXAKISLOD-UWVGGRQHSA-N	-1	0	293.327	0.574	20	30		CCEDRM
COC(=O)c1cc(NC(=O)[C@](C)(C#N)CC(=O)[O-])on1	ZINC001574083085	962302734	/nfs/dbraw/zinc/30/27/34/962302734.db2.gz	GAQHPRRITBAMRW-NSHDSACASA-N	-1	0	281.224	0.404	20	30		CCEDRM
COC(=O)c1nccc(NC(=O)[C@@](C)(C#N)CC(=O)[O-])n1	ZINC001574097909	962382582	/nfs/dbraw/zinc/38/25/82/962382582.db2.gz	UWFSAEBYVDCRNT-GFCCVEGCSA-N	-1	0	292.251	0.206	20	30		CCEDRM
CC(C)NC(=O)[C@@H](C)NC(=O)[C@@](C)(C#N)CC(=O)[O-]	ZINC001588923399	962415582	/nfs/dbraw/zinc/41/55/82/962415582.db2.gz	XAFKMFLTLIPMLI-PRHODGIISA-N	-1	0	269.301	0.020	20	30		CCEDRM
CC(C)OC(=O)COC(=O)[C@@](C)(C#N)CC(=O)[O-]	ZINC001588927706	962433886	/nfs/dbraw/zinc/43/38/86/962433886.db2.gz	CIPNFSLLJLEWET-LLVKDONJSA-N	-1	0	257.242	0.486	20	30		CCEDRM
C#CC[C@H](NC(=O)c1cc([N+](=O)[O-])c(F)cc1N)C(=O)[O-]	ZINC001573302358	962649521	/nfs/dbraw/zinc/64/95/21/962649521.db2.gz	ASLCURYFLYMOBA-VIFPVBQESA-N	-1	0	295.226	0.522	20	30		CCEDRM
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C#CCN1CCC[C@H](NC(=O)C(=C)CCC(=O)[O-])C1	ZINC001573311436	962703065	/nfs/dbraw/zinc/70/30/65/962703065.db2.gz	QCEYVTYTCGZEQR-LBPRGKRZSA-N	-1	0	264.325	0.621	20	30		CCEDRM
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C=C(Cl)CN(C)CCN(C)C(=O)[C@@H]1C[C@@H]1C(=O)[O-]	ZINC001573338436	962873378	/nfs/dbraw/zinc/87/33/78/962873378.db2.gz	AWMGDPRSFPJLTB-ZJUUUORDSA-N	-1	0	274.748	0.850	20	30		CCEDRM
C=C(CCC(=O)OC)C(=O)N1CCC(C#N)(C(=O)[O-])CC1	ZINC001573338978	962883642	/nfs/dbraw/zinc/88/36/42/962883642.db2.gz	LJAPMUMTKXENNG-UHFFFAOYSA-N	-1	0	294.307	0.713	20	30		CCEDRM
C=C(Cl)CN1C[C@@H]2CCN(C(=O)CNC(=O)[O-])[C@@H]2C1	ZINC001573343386	962904099	/nfs/dbraw/zinc/90/40/99/962904099.db2.gz	DEQGZNSDFLAXPN-VHSXEESVSA-N	-1	0	287.747	0.539	20	30		CCEDRM
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Cc1cc(N2CCO[C@H](CC(=O)[O-])C2)cc(C#N)n1	ZINC000308265362	963266103	/nfs/dbraw/zinc/26/61/03/963266103.db2.gz	WOMWGYIZDKNAOO-GFCCVEGCSA-N	-1	0	261.281	0.942	20	30		CCEDRM
Cc1cc(N2CCO[C@@H](CC(=O)[O-])C2)cc(C#N)n1	ZINC000308265364	963266422	/nfs/dbraw/zinc/26/64/22/963266422.db2.gz	WOMWGYIZDKNAOO-LBPRGKRZSA-N	-1	0	261.281	0.942	20	30		CCEDRM
C#CCC[C@@H](O)CNc1ccc(C(=O)[O-])nc1C#N	ZINC001588435336	964020293	/nfs/dbraw/zinc/02/02/93/964020293.db2.gz	LXDYUWINWINCNM-SECBINFHSA-N	-1	0	259.265	0.838	20	30		CCEDRM
C#CCC[C@H](O)CNC(=O)N[C@H]1C[C@@H]2C[C@]2(C(=O)[O-])C1	ZINC001588435358	964020967	/nfs/dbraw/zinc/02/09/67/964020967.db2.gz	NBTQKICWKCQESN-ZHPDPMBESA-N	-1	0	280.324	0.313	20	30		CCEDRM
C#CCCCC(=O)N1CC(N(C)C(=O)[C@@H]2C[C@@H]2C(=O)[O-])C1	ZINC001588435703	964025011	/nfs/dbraw/zinc/02/50/11/964025011.db2.gz	XKDZGRSFAXSVGK-NEPJUHHUSA-N	-1	0	292.335	0.180	20	30		CCEDRM
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C#CCCCc1nnc(N2C[C@H](C)O[C@H](C(=O)[O-])C2)n1C	ZINC001588446875	964080686	/nfs/dbraw/zinc/08/06/86/964080686.db2.gz	MNEAXOKSKNXVEW-QWRGUYRKSA-N	-1	0	292.339	0.449	20	30		CCEDRM
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CC(C)N(CC(=O)[O-])C(=O)CNc1ccc(C#N)cn1	ZINC001573519712	969815844	/nfs/dbraw/zinc/81/58/44/969815844.db2.gz	SIXGBPOHOGJRSD-UHFFFAOYSA-N	-1	0	276.296	0.687	20	30		CCEDRM
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CC(C)OC(=O)[C@H](C)NC(=O)[C@](C)(C#N)CC(=O)[O-]	ZINC001609828463	970549602	/nfs/dbraw/zinc/54/96/02/970549602.db2.gz	ZYHJSWXHXVKLGT-UFBFGSQYSA-N	-1	0	270.285	0.447	20	30		CCEDRM
C[C@@](C#N)(CC(=O)[O-])C(=O)NCC1(C)OCCCO1	ZINC001610054316	970649999	/nfs/dbraw/zinc/64/99/99/970649999.db2.gz	VFNHZWQVPABIDK-NSHDSACASA-N	-1	0	270.285	0.260	20	30		CCEDRM
CC1(C)C[C@@]1(C#N)NC(=O)[C@@H]1CC(C(=O)[O-])=NO1	ZINC001603322059	972648332	/nfs/dbraw/zinc/64/83/32/972648332.db2.gz	GDZRAAXGNQSBDP-CPCISQLKSA-N	-1	0	251.242	0.024	20	30		CCEDRM
C[C@H](NC(=O)[C@](C)(C#N)CC(=O)[O-])c1cnccn1	ZINC001605041046	972650461	/nfs/dbraw/zinc/65/04/61/972650461.db2.gz	KNAGVSCNYLJXSO-UFBFGSQYSA-N	-1	0	262.269	0.658	20	30		CCEDRM
CO[C@H](C(=O)[O-])C(=O)N[C@@H]1CCc2cc(C#N)ccc21	ZINC001604423894	973203022	/nfs/dbraw/zinc/20/30/22/973203022.db2.gz	JLUUNZNPDCELKS-NEPJUHHUSA-N	-1	0	274.276	0.761	20	30		CCEDRM
CO[C@@H](C(=O)[O-])C(=O)OCc1cc(F)ccc1C#N	ZINC001604444993	973256407	/nfs/dbraw/zinc/25/64/07/973256407.db2.gz	GLHGPBMVKBZANN-JTQLQIEISA-N	-1	0	267.212	0.840	20	30		CCEDRM
CO[C@H](C(=O)[O-])C(=O)OCC#Cc1cccc(F)c1F	ZINC001604446322	973265331	/nfs/dbraw/zinc/26/53/31/973265331.db2.gz	RDFOMDVIRHUXFU-LLVKDONJSA-N	-1	0	284.214	0.959	20	30		CCEDRM
Cc1cnn(CCOC(=O)[C@](C)(C#N)CC(=O)[O-])c1	ZINC001605381944	973348063	/nfs/dbraw/zinc/34/80/63/973348063.db2.gz	JWMTYDKELQVWTE-LBPRGKRZSA-N	-1	0	265.269	0.739	20	30		CCEDRM
CC[C@@](C)(C#N)C(=O)NCCOCCOCC(=O)[O-]	ZINC001603504536	973478361	/nfs/dbraw/zinc/47/83/61/973478361.db2.gz	AWONQGNCYZMPFN-LBPRGKRZSA-N	-1	0	272.301	0.160	20	30		CCEDRM
N#Cc1ccc(F)cc1CN1C[C@H](O)C[C@H](C(=O)[O-])C1	ZINC000401924614	973538071	/nfs/dbraw/zinc/53/80/71/973538071.db2.gz	QIJVBVNZCSHXDF-WCQYABFASA-N	-1	0	278.283	0.965	20	30		CCEDRM
C=CC[C@H](CC)NC(=O)N1C[C@H](O)C[C@H](C(=O)[O-])C1	ZINC000401972515	973578547	/nfs/dbraw/zinc/57/85/47/973578547.db2.gz	OKDAPKOAZNAJKJ-GARJFASQSA-N	-1	0	270.329	0.818	20	30		CCEDRM
COCC1(C2CC2)CN(C(=O)[C@](C)(C#N)CC(=O)[O-])C1	ZINC001604567284	973643388	/nfs/dbraw/zinc/64/33/88/973643388.db2.gz	RNQXXCMVABSPSP-ZDUSSCGKSA-N	-1	0	280.324	0.876	20	30		CCEDRM
COCC[C@](C)(C#N)NC(=O)c1ccc(C(=O)[O-])cn1	ZINC001604573631	973651967	/nfs/dbraw/zinc/65/19/67/973651967.db2.gz	JMDYUAXKFNXOLD-CYBMUJFWSA-N	-1	0	277.280	0.828	20	30		CCEDRM
N#C[C@@H]1COCCN1C(=O)/C=C\c1ccc(C(=O)[O-])o1	ZINC001605581742	973861394	/nfs/dbraw/zinc/86/13/94/973861394.db2.gz	KOSRFUYUCMSLGK-FIFYQCSRSA-N	-1	0	276.248	0.742	20	30		CCEDRM
N#CCOc1cccc(NC(=O)[C@@H]2CC(C(=O)[O-])=NO2)c1	ZINC001605601198	973900665	/nfs/dbraw/zinc/90/06/65/973900665.db2.gz	ACSACZNWQNEUHG-NSHDSACASA-N	-1	0	289.247	0.757	20	30		CCEDRM
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CCCC[C@H](ON=C(C)C)C(=O)NC[C@](C)(O)C(=O)[O-]	ZINC001603640133	973979219	/nfs/dbraw/zinc/97/92/19/973979219.db2.gz	AOTGYMHHFONCQC-GWCFXTLKSA-N	-1	0	288.344	0.909	20	30		CCEDRM
CC(C)OC[C@H](C(=O)[O-])N(C)CCO[C@H](C)C#N	ZINC001591712816	975612040	/nfs/dbraw/zinc/61/20/40/975612040.db2.gz	YNNSTORPXOQEBB-GHMZBOCLSA-N	-1	0	258.318	0.725	20	30		CCEDRM
CC(C)[C@H](NC(=O)CN(CC#N)C1CC1)C(=O)[O-]	ZINC001591866250	976166784	/nfs/dbraw/zinc/16/67/84/976166784.db2.gz	DNGATPVUQZCANC-NSHDSACASA-N	-1	0	253.302	0.200	20	30		CCEDRM
CC(C)[C@H](NC(=O)CON=C[C@H]1CCCO1)C(=O)[O-]	ZINC001591875988	976223757	/nfs/dbraw/zinc/22/37/57/976223757.db2.gz	FYBFTBDISNHXLM-KOLCDFICSA-N	-1	0	272.301	0.393	20	30		CCEDRM
C[C@H](CS(=O)(=O)N([C@@H](C)C#N)C1CC1)C(=O)[O-]	ZINC001592788593	979429007	/nfs/dbraw/zinc/42/90/07/979429007.db2.gz	SLXOPBLFNRXSER-SFYZADRCSA-N	-1	0	260.315	0.413	20	30		CCEDRM
CC[C@](COC)(NC(=O)CC1(C#N)CCOCC1)C(=O)[O-]	ZINC001595187427	979843769	/nfs/dbraw/zinc/84/37/69/979843769.db2.gz	LXNLMXLXZDEIBC-CQSZACIVSA-N	-1	0	298.339	0.693	20	30		CCEDRM
CC[C@](COC)(NCC(=O)N[C@](C)(C#N)C(C)C)C(=O)[O-]	ZINC001595195809	979917539	/nfs/dbraw/zinc/91/75/39/979917539.db2.gz	ZGBHSYRKYDVIKD-ZIAGYGMSSA-N	-1	0	299.371	0.510	20	30		CCEDRM
CC[C@H](OC(=O)[C@H](C)n1cnc(C#N)n1)[C@@H](C)C(=O)[O-]	ZINC001595338715	980608355	/nfs/dbraw/zinc/60/83/55/980608355.db2.gz	YUDHOJMPHGNKQJ-VGMNWLOBSA-N	-1	0	280.284	0.753	20	30		CCEDRM
CCC[C@](C)(NC(=O)[C@@H](C)n1cnc(C#N)n1)C(=O)[O-]	ZINC001595547173	981417816	/nfs/dbraw/zinc/41/78/16/981417816.db2.gz	XHXLAQJVOOENLH-PELKAZGASA-N	-1	0	279.300	0.470	20	30		CCEDRM
C#C[C@H](C)N(C)CC(=O)N[C@H](C(=O)[O-])[C@H](C)CC	ZINC001588368668	983308005	/nfs/dbraw/zinc/30/80/05/983308005.db2.gz	QMJFZVPZCFWPPL-SCVCMEIPSA-N	-1	0	254.330	0.555	20	30		CCEDRM
C#C[C@H](C)NC(=O)N1C[C@@H](C(=O)[O-])[C@H](C2CC2)C1	ZINC001588369037	983310279	/nfs/dbraw/zinc/31/02/79/983310279.db2.gz	YQGIHHCDSDCLOD-INTQDDNPSA-N	-1	0	250.298	0.760	20	30		CCEDRM
C#C[C@H](CO)NC(=O)Nc1cc(C(=O)[O-])c(F)cc1F	ZINC001588371211	983325934	/nfs/dbraw/zinc/32/59/34/983325934.db2.gz	YVYSYGLZTROKSS-ZCFIWIBFSA-N	-1	0	284.218	0.779	20	30		CCEDRM
C#C[C@H](NC(=O)c1ccc(C(=O)[O-])[nH]1)[C@@H]1CCCO1	ZINC001588376355	983351528	/nfs/dbraw/zinc/35/15/28/983351528.db2.gz	DCEBSOQHHNSYMO-KWQFWETISA-N	-1	0	262.265	0.624	20	30		CCEDRM
C#C[C@H](NS(=O)(=O)c1cc(C(=O)[O-])[nH]n1)C(C)C	ZINC001588376690	983353502	/nfs/dbraw/zinc/35/35/02/983353502.db2.gz	GDNHQNCHYPSPJR-ZETCQYMHSA-N	-1	0	271.298	0.044	20	30		CCEDRM
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C#CC[C@H](NC(=O)c1ccc2nc[nH]c2n1)C(=O)[O-]	ZINC001588417196	983439155	/nfs/dbraw/zinc/43/91/55/983439155.db2.gz	ZTAXIYGYVIMCED-VIFPVBQESA-N	-1	0	258.237	0.164	20	30		CCEDRM
C#CC[C@H](NC(=O)c1cnn(C)c1Cl)C(=O)[O-]	ZINC001588422189	983445020	/nfs/dbraw/zinc/44/50/20/983445020.db2.gz	STSSSXSYDRHYBW-ZETCQYMHSA-N	-1	0	255.661	0.280	20	30		CCEDRM
C#CC[C@@H](NC(=O)c1cnn(C)c1Cl)C(=O)[O-]	ZINC001588422188	983445203	/nfs/dbraw/zinc/44/52/03/983445203.db2.gz	STSSSXSYDRHYBW-SSDOTTSWSA-N	-1	0	255.661	0.280	20	30		CCEDRM
C#CCC1(NS(=O)(=O)CC(C)(C)C(=O)[O-])CCC1	ZINC001588427832	983458388	/nfs/dbraw/zinc/45/83/88/983458388.db2.gz	NPZYBNMWWTXORF-UHFFFAOYSA-N	-1	0	273.354	0.963	20	30		CCEDRM
C#CC[C@H]1CCN(C(=O)Nc2cc(C(=O)[O-])n(C)n2)C1	ZINC001588433572	983468244	/nfs/dbraw/zinc/46/82/44/983468244.db2.gz	AQHNUUHSBZVWPM-VIFPVBQESA-N	-1	0	276.296	0.995	20	30		CCEDRM
C#CC[C@@H]1CCCN(S(=O)(=O)c2cc(C(=O)[O-])no2)C1	ZINC001588433764	983468549	/nfs/dbraw/zinc/46/85/49/983468549.db2.gz	CJOJIXXMEGYONS-SECBINFHSA-N	-1	0	298.320	0.797	20	30		CCEDRM
C#CC[C@H]1CCN(S(=O)(=O)CC(C)(C)C(=O)[O-])C1	ZINC001588434893	983473530	/nfs/dbraw/zinc/47/35/30/983473530.db2.gz	XHHGPFRSWXCJAW-JTQLQIEISA-N	-1	0	273.354	0.772	20	30		CCEDRM
C#CCCOc1ccc(CN2CC(O)(C(=O)[O-])C2)cc1	ZINC001588457547	983482149	/nfs/dbraw/zinc/48/21/49/983482149.db2.gz	CTDDWZNLCUKKTE-UHFFFAOYSA-N	-1	0	275.304	0.720	20	30		CCEDRM
C#CCCS(=O)(=O)N[C@H]1C[C@H]2C[C@H](C(=O)[O-])C[C@H]21	ZINC001588458209	983482929	/nfs/dbraw/zinc/48/29/29/983482929.db2.gz	KVPCCVDIVCDCCL-YTWAJWBKSA-N	-1	0	271.338	0.428	20	30		CCEDRM
C#CCN(C)C(=O)Nc1nc2n(c1C(=O)[O-])CCC2	ZINC001588461215	983489066	/nfs/dbraw/zinc/48/90/66/983489066.db2.gz	HJDDDJJUKQQVBZ-UHFFFAOYSA-N	-1	0	262.269	0.624	20	30		CCEDRM
C#CCN1CCCN(C(=O)C(=C)CCC(=O)[O-])CC1	ZINC001588477374	983516046	/nfs/dbraw/zinc/51/60/46/983516046.db2.gz	ONMMFRQMHXDTIO-UHFFFAOYSA-N	-1	0	264.325	0.575	20	30		CCEDRM
CCN(C(=O)[C@@H]1C[C@H](C)[C@@H](C(=O)[O-])O1)[C@H](C)C#N	ZINC001596156982	983517143	/nfs/dbraw/zinc/51/71/43/983517143.db2.gz	SFOCNCZLOQMVSS-JXUBOQSCSA-N	-1	0	254.286	0.625	20	30		CCEDRM
C#CCNC(=O)CN1CCC(c2cc(C(=O)[O-])on2)CC1	ZINC001588483950	983522266	/nfs/dbraw/zinc/52/22/66/983522266.db2.gz	NDXUIHUODHVZOH-UHFFFAOYSA-N	-1	0	291.307	0.302	20	30		CCEDRM
C#CCOCCC(=O)Nc1cc(C(=O)[O-])n(C)n1	ZINC001588489752	983529152	/nfs/dbraw/zinc/52/91/52/983529152.db2.gz	LWNYXVMVBHXLQL-UHFFFAOYSA-N	-1	0	251.242	0.097	20	30		CCEDRM
C#CCOCCC(=O)N[C@@](CC)(COC)C(=O)[O-]	ZINC001588489902	983529417	/nfs/dbraw/zinc/52/94/17/983529417.db2.gz	OJCUDDRIQKEAOO-LBPRGKRZSA-N	-1	0	257.286	0.022	20	30		CCEDRM
C#CCOCCNC(=O)N[C@H]1CC[C@@H](CC(=O)[O-])C1	ZINC001588491012	983535098	/nfs/dbraw/zinc/53/50/98/983535098.db2.gz	BQFQBTKTXHCTAS-MNOVXSKESA-N	-1	0	268.313	0.579	20	30		CCEDRM
C#CCSCC(=O)N1CCN([C@@H](C)CC(=O)[O-])CC1	ZINC001588504873	983549236	/nfs/dbraw/zinc/54/92/36/983549236.db2.gz	OASZFRBIPYPJKZ-NSHDSACASA-N	-1	0	284.381	0.360	20	30		CCEDRM
C#CCn1ccc(CN(C/C=C(/C)C(=O)[O-])CCOC)n1	ZINC001588509423	983552969	/nfs/dbraw/zinc/55/29/69/983552969.db2.gz	DEIPBMAZBXBERC-ACAGNQJTSA-N	-1	0	291.351	0.996	20	30		CCEDRM
C#Cc1cccc(CN2C(=O)N[C@H]([C@@H]3C[C@H]3C(=O)[O-])C2=O)c1	ZINC001588518209	983568655	/nfs/dbraw/zinc/56/86/55/983568655.db2.gz	WCQQSCKHIWAZRS-JHJVBQTASA-N	-1	0	298.298	0.809	20	30		CCEDRM
C=C(C)[C@H](CC(=O)NCCn1cc(C(=O)[O-])nn1)OCC	ZINC001588529606	983581771	/nfs/dbraw/zinc/58/17/71/983581771.db2.gz	BFKIVLNOGPCQME-NSHDSACASA-N	-1	0	296.327	0.464	20	30		CCEDRM
C=C(C)C[C@@H](NC(=O)[C@@H]1CCN(C)C(=O)C1)C(=O)[O-]	ZINC001588540164	983602995	/nfs/dbraw/zinc/60/29/95/983602995.db2.gz	BGCYDAUJGDRISL-NXEZZACHSA-N	-1	0	268.313	0.390	20	30		CCEDRM
C=C(C)C[C@@H](NC(C)=O)C(=O)O[C@@H](C)CC(=O)[O-]	ZINC001588546697	983616390	/nfs/dbraw/zinc/61/63/90/983616390.db2.gz	AHBLEDIKZFXZEK-WCBMZHEXSA-N	-1	0	257.286	0.864	20	30		CCEDRM
C=C(C)C[C@H](NC(=O)c1cnc2nccn2c1)C(=O)[O-]	ZINC001588547422	983619948	/nfs/dbraw/zinc/61/99/48/983619948.db2.gz	BMEWQMAUVHJKHT-JTQLQIEISA-N	-1	0	274.280	0.879	20	30		CCEDRM
CCN(C[C@@H](C)C#N)C(=O)CN1C[C@@H](C)O[C@H](C(=O)[O-])C1	ZINC001596230250	983624568	/nfs/dbraw/zinc/62/45/68/983624568.db2.gz	XXGZSAODRALWRM-TUAOUCFPSA-N	-1	0	297.355	0.168	20	30		CCEDRM
C=C(C)C[C@H](NC(=O)c1ccn2nccc2n1)C(=O)[O-]	ZINC001588548740	983625189	/nfs/dbraw/zinc/62/51/89/983625189.db2.gz	STZQYEDVZLXVTC-JTQLQIEISA-N	-1	0	274.280	0.879	20	30		CCEDRM
C=C(C)C[C@H](Nc1cc(=O)n(C)c(=O)[nH]1)C(=O)[O-]	ZINC001588555443	983635157	/nfs/dbraw/zinc/63/51/57/983635157.db2.gz	IVWMBZLTNMOLQS-ZETCQYMHSA-N	-1	0	253.258	0.317	20	30		CCEDRM
C=C(C)CN(Cc1ccc(CO)o1)C(=O)COCC(=O)[O-]	ZINC001588567929	983648516	/nfs/dbraw/zinc/64/85/16/983648516.db2.gz	WNIDDJSJZYQKPT-UHFFFAOYSA-N	-1	0	297.307	0.778	20	30		CCEDRM
C=C(C)CNC(=S)N1C[C@H](O)C[C@H](C(=O)[O-])C1	ZINC001588585648	983664039	/nfs/dbraw/zinc/66/40/39/983664039.db2.gz	RWZWGMMVXFDREC-DTWKUNHWSA-N	-1	0	258.343	0.204	20	30		CCEDRM
C=C(C)Cn1c(CO)nnc1N1CCO[C@H](CC(=O)[O-])C1	ZINC001588597755	983680655	/nfs/dbraw/zinc/68/06/55/983680655.db2.gz	KSXZFHMKIIMGGR-SNVBAGLBSA-N	-1	0	296.327	0.026	20	30		CCEDRM
C=C(C)Cn1c([C@H](C)O)nnc1N1CC[C@@](F)(C(=O)[O-])C1	ZINC001588599461	983690322	/nfs/dbraw/zinc/69/03/22/983690322.db2.gz	RCHATHBHKXVCPT-ZANVPECISA-N	-1	0	298.318	0.911	20	30		CCEDRM
C=C(CC(C)C)C(=O)N1C[C@H](C(=O)[O-])[C@@H](C(=O)OC)C1	ZINC001588605260	983691873	/nfs/dbraw/zinc/69/18/73/983691873.db2.gz	FRFAZLFQPHPGNM-QWRGUYRKSA-N	-1	0	283.324	0.921	20	30		CCEDRM
C=C(CC)CNC(=O)C(=O)NCC(C)(C)CC(=O)[O-]	ZINC001588605535	983693542	/nfs/dbraw/zinc/69/35/42/983693542.db2.gz	GGCAZSYQOZEHHA-UHFFFAOYSA-N	-1	0	270.329	0.686	20	30		CCEDRM
C=C(CCC(=O)[O-])C(=O)N(CCCC)CC(N)=O	ZINC001588612885	983704553	/nfs/dbraw/zinc/70/45/53/983704553.db2.gz	ZRSPDIUTNRSUQJ-UHFFFAOYSA-N	-1	0	256.302	0.521	20	30		CCEDRM
C=C(CCC(=O)[O-])C(=O)N1C[C@@H]2COC[C@H](C1)O2	ZINC001588614368	983707247	/nfs/dbraw/zinc/70/72/47/983707247.db2.gz	SDPLYLXTLFDTSJ-AOOOYVTPSA-N	-1	0	255.270	0.034	20	30		CCEDRM
C=C(CCC(=O)[O-])C(=O)N[C@H](C)CO[C@@H]1CCOC1	ZINC001588619267	983716004	/nfs/dbraw/zinc/71/60/04/983716004.db2.gz	PKUQAIKJUITFQG-GHMZBOCLSA-N	-1	0	271.313	0.718	20	30		CCEDRM
C=C(CCC(=O)[O-])C(=O)N[C@@](CC)(C(N)=O)C(C)C	ZINC001588621899	983721509	/nfs/dbraw/zinc/72/15/09/983721509.db2.gz	MBVUBOPRXBFSCA-CYBMUJFWSA-N	-1	0	270.329	0.814	20	30		CCEDRM
C=C(CCC(=O)[O-])C(=O)NCC1(C2(O)CCOCC2)CC1	ZINC001588622723	983724893	/nfs/dbraw/zinc/72/48/93/983724893.db2.gz	DGJAGESAJDALSC-UHFFFAOYSA-N	-1	0	297.351	0.845	20	30		CCEDRM
C=C(CCC(=O)[O-])C(=O)NC[C@@H](C)c1nncn1C	ZINC001588623003	983726011	/nfs/dbraw/zinc/72/60/11/983726011.db2.gz	JCVKBFYKKOYQJG-SECBINFHSA-N	-1	0	266.301	0.456	20	30		CCEDRM
C=C(Cl)CNS(=O)(=O)CC1(C(=O)[O-])CCC1	ZINC001588643714	983767347	/nfs/dbraw/zinc/76/73/47/983767347.db2.gz	SWWVTMIPMLNHTE-UHFFFAOYSA-N	-1	0	267.734	0.913	20	30		CCEDRM
C=C1CCN(S(=O)(=O)CC2(C(=O)[O-])CC2)CC1	ZINC001588650718	983773116	/nfs/dbraw/zinc/77/31/16/983773116.db2.gz	NCNKVEPBMOHAEV-UHFFFAOYSA-N	-1	0	259.327	0.833	20	30		CCEDRM
CCN(CCNc1ncc(C(=O)[O-])cn1)C(=O)[C@H](C)C#N	ZINC001596340897	983790114	/nfs/dbraw/zinc/79/01/14/983790114.db2.gz	LMJCTKQIDHHZKU-SECBINFHSA-N	-1	0	291.311	0.595	20	30		CCEDRM
C=C[C@H](C(=O)[O-])N1CCN(c2ccc(F)cn2)CC1	ZINC001588669751	983814373	/nfs/dbraw/zinc/81/43/73/983814373.db2.gz	OQZKKAYOTSVIOR-LLVKDONJSA-N	-1	0	265.288	0.982	20	30		CCEDRM
C=C[C@](C)(O)C(=O)N[C@@H]1CCCn2nc(C(=O)[O-])cc21	ZINC001588682675	983844700	/nfs/dbraw/zinc/84/47/00/983844700.db2.gz	PORNYWBZILFQFS-OQPBUACISA-N	-1	0	279.296	0.469	20	30		CCEDRM
C=C[C@](C)(O)CC(=O)N1C[C@H](C(=O)[O-])CC[C@@H]1C(=O)OC	ZINC001588684278	983857656	/nfs/dbraw/zinc/85/76/56/983857656.db2.gz	OEDHJBTUAZTHNS-RULNRJAQSA-N	-1	0	299.323	0.178	20	30		CCEDRM
C=C[C@](C)(O)CC(=O)N1CCSC[C@@H]1CC(=O)[O-]	ZINC001588684656	983862087	/nfs/dbraw/zinc/86/20/87/983862087.db2.gz	WFFMXBAYJRUGLC-CABZTGNLSA-N	-1	0	273.354	0.732	20	30		CCEDRM
C=C[C@@](C)(O)c1cn(Cc2nc(C(=O)[O-])co2)nn1	ZINC001588684801	983864250	/nfs/dbraw/zinc/86/42/50/983864250.db2.gz	YOQCKLDGRQLMRN-LLVKDONJSA-N	-1	0	264.241	0.406	20	30		CCEDRM
C=C[C@H](C)NS(=O)(=O)c1cnc(C)c(C(=O)[O-])c1	ZINC001588687279	983869248	/nfs/dbraw/zinc/86/92/48/983869248.db2.gz	MBJHJTHTVOMVSL-ZETCQYMHSA-N	-1	0	270.310	0.941	20	30		CCEDRM
C=C[C@H](COC)NC(=O)[C@H]1CC[C@@H](CCC(=O)[O-])O1	ZINC001588693190	983891955	/nfs/dbraw/zinc/89/19/55/983891955.db2.gz	SWECKYJUYDPTSN-OUAUKWLOSA-N	-1	0	271.313	0.716	20	30		CCEDRM
C=C[C@H](N[C@H](Cc1cncs1)C(=O)[O-])C(=O)OC	ZINC001588694897	983899919	/nfs/dbraw/zinc/89/99/19/983899919.db2.gz	FTQIBJQGITVKLP-DTWKUNHWSA-N	-1	0	270.310	0.456	20	30		CCEDRM
C=C[C@@H](O)C(=O)OCc1cc(C(=O)[O-])ccc1OC	ZINC001588704135	983922986	/nfs/dbraw/zinc/92/29/86/983922986.db2.gz	CDMCDMWRXRADMU-SNVBAGLBSA-N	-1	0	266.249	0.984	20	30		CCEDRM
C=C[C@@H](O)c1nnc(N2C[C@@H](C)[C@H](C(=O)[O-])C2)n1CC	ZINC001588704964	983925605	/nfs/dbraw/zinc/92/56/05/983925605.db2.gz	JEAGUUXZFPJIMO-OPRDCNLKSA-N	-1	0	280.328	0.674	20	30		CCEDRM
C=C[C@H](OC(=O)c1ccc(N2CCOCC2)nc1)C(=O)[O-]	ZINC001588711614	983938782	/nfs/dbraw/zinc/93/87/82/983938782.db2.gz	BZALZKAPYMNKCJ-NSHDSACASA-N	-1	0	292.291	0.714	20	30		CCEDRM
C=C[C@H](OC(=O)c1cc2n(n1)CCCC2=O)C(=O)[O-]	ZINC001588711822	983940299	/nfs/dbraw/zinc/94/02/99/983940299.db2.gz	DTZCCZNFQVICEV-JTQLQIEISA-N	-1	0	264.237	0.656	20	30		CCEDRM
C=C[C@@H](OC(=O)c1csc(C(=O)OC)n1)C(=O)[O-]	ZINC001588712881	983947136	/nfs/dbraw/zinc/94/71/36/983947136.db2.gz	OJMOSERABUPXQR-ZCFIWIBFSA-N	-1	0	271.250	0.726	20	30		CCEDRM
C=C[C@@H](OC(=O)c1c[nH]c(C(=O)OC)c1)C(=O)[O-]	ZINC001588713590	983949637	/nfs/dbraw/zinc/94/96/37/983949637.db2.gz	ZDWQXUJMAGUQFJ-MRVPVSSYSA-N	-1	0	253.210	0.597	20	30		CCEDRM
C=CC[C@H](C(=O)OC)N1CC[C@H](n2cc(C(=O)[O-])nn2)C1	ZINC001588731699	984011311	/nfs/dbraw/zinc/01/13/11/984011311.db2.gz	NILJIBWRAMUNQD-GXSJLCMTSA-N	-1	0	294.311	0.341	20	30		CCEDRM
C=CC[C@H](CC)NC(=O)C(=O)N1CC[C@@H](C(=O)[O-])[C@H]1C	ZINC001588735457	984018001	/nfs/dbraw/zinc/01/80/01/984018001.db2.gz	AERVKLVPIYPQMG-OUAUKWLOSA-N	-1	0	282.340	0.779	20	30		CCEDRM
C=CC[C@H](C)NC(=O)CN1CCC[C@H](C(=O)[O-])C1=O	ZINC001588736958	984027718	/nfs/dbraw/zinc/02/77/18/984027718.db2.gz	ZYNYACUWBVLOFF-UWVGGRQHSA-N	-1	0	268.313	0.390	20	30		CCEDRM
C=CC[C@H](CO)CNS(=O)(=O)c1occc1C(=O)[O-]	ZINC001588737949	984031516	/nfs/dbraw/zinc/03/15/16/984031516.db2.gz	XPUVKJJJRNRMNF-QMMMGPOBSA-N	-1	0	289.309	0.441	20	30		CCEDRM
C=CC[C@@H](CO)NC(=O)Cc1ccc(C(=O)[O-])cc1	ZINC001588744346	984042144	/nfs/dbraw/zinc/04/21/44/984042144.db2.gz	KBPHGVJPTQFAGL-LBPRGKRZSA-N	-1	0	263.293	0.981	20	30		CCEDRM
C=CC[C@H](NCc1cc(C(=O)[O-])no1)C(=O)OCC	ZINC001588749251	984064335	/nfs/dbraw/zinc/06/43/35/984064335.db2.gz	GXOKLODDORSLKD-VIFPVBQESA-N	-1	0	268.269	0.970	20	30		CCEDRM
C=CCC1(C(=O)NC[C@@]2(C(=O)[O-])CCOC2)CCOCC1	ZINC001588763627	984120042	/nfs/dbraw/zinc/12/00/42/984120042.db2.gz	UYFYIHZBFMREDE-HNNXBMFYSA-N	-1	0	297.351	0.967	20	30		CCEDRM
C=CCC1(C(=O)NCCC(=O)NCCC(=O)[O-])CCC1	ZINC001588765052	984125001	/nfs/dbraw/zinc/12/50/01/984125001.db2.gz	PDJACXWOOOBGSE-UHFFFAOYSA-N	-1	0	282.340	0.830	20	30		CCEDRM
C=CCC1(O)CCN(C(=O)NC[C@H](F)C(=O)[O-])CC1	ZINC001588769081	984132324	/nfs/dbraw/zinc/13/23/24/984132324.db2.gz	LHXSOIRLSBIPFO-VIFPVBQESA-N	-1	0	274.292	0.522	20	30		CCEDRM
C=CCCC[C@H](NC(=O)CNC(=O)OC)C(=O)[O-]	ZINC001588788796	984193161	/nfs/dbraw/zinc/19/31/61/984193161.db2.gz	OFTWOAIGYJPUBM-QMMMGPOBSA-N	-1	0	258.274	0.268	20	30		CCEDRM
C=CCCC[C@@H](NC(=O)CCN1CCCC1=O)C(=O)[O-]	ZINC001588788903	984194591	/nfs/dbraw/zinc/19/45/91/984194591.db2.gz	QRBNDRXOFZRRKA-LLVKDONJSA-N	-1	0	282.340	0.925	20	30		CCEDRM
C=CCCC[C@@H](NC(=O)[C@H]1C[C@H]1C(=O)OC)C(=O)[O-]	ZINC001588794053	984224075	/nfs/dbraw/zinc/22/40/75/984224075.db2.gz	JZLZFWRHIQSZAZ-IVZWLZJFSA-N	-1	0	269.297	0.721	20	30		CCEDRM
C=CCCC[C@@H](NC(=O)[C@@H]1CC[C@H](C(=O)OC)O1)C(=O)[O-]	ZINC001588794576	984228286	/nfs/dbraw/zinc/22/82/86/984228286.db2.gz	YTRIVPFTWZLOGS-OUAUKWLOSA-N	-1	0	299.323	0.633	20	30		CCEDRM
C=CCCC[C@H](NS(=O)(=O)C1COC1)C(=O)[O-]	ZINC001588797669	984230722	/nfs/dbraw/zinc/23/07/22/984230722.db2.gz	INXXOLAZXUFDLH-VIFPVBQESA-N	-1	0	263.315	0.114	20	30		CCEDRM
C=CCCO[C@@H](C)C(=O)N1C[C@H](C)O[C@H](C(=O)[O-])C1	ZINC001588808530	984262447	/nfs/dbraw/zinc/26/24/47/984262447.db2.gz	GYBHRTLGJRDEPK-DCAQKATOSA-N	-1	0	271.313	0.668	20	30		CCEDRM
C=CCCO[C@H](C)C(=O)N[C@@H](C(=O)[O-])c1ccn(C)n1	ZINC001588808520	984262510	/nfs/dbraw/zinc/26/25/10/984262510.db2.gz	FFUMICKPJRFUAN-MWLCHTKSSA-N	-1	0	281.312	0.643	20	30		CCEDRM
C=CCCOCC(=O)N[C@@H](Cc1cncs1)C(=O)[O-]	ZINC001588810228	984265895	/nfs/dbraw/zinc/26/58/95/984265895.db2.gz	FKHJRXQZTVAIIG-JTQLQIEISA-N	-1	0	284.337	0.848	20	30		CCEDRM
C=CCCn1cc([C@@H]2NC(=O)N(C)C(C)=C2C(=O)[O-])nn1	ZINC001588817362	984276140	/nfs/dbraw/zinc/27/61/40/984276140.db2.gz	IWZXQCOFEMQGFQ-NSHDSACASA-N	-1	0	291.311	0.909	20	30		CCEDRM
C=CCN(CCC#N)S(=O)(=O)[C@H]1CC[C@@H](C(=O)[O-])C1	ZINC001588826771	984306357	/nfs/dbraw/zinc/30/63/57/984306357.db2.gz	VZSHTRVYITXPJC-MNOVXSKESA-N	-1	0	286.353	0.971	20	30		CCEDRM
C=CCNC(=O)CN1CC[C@@H](c2ncc(C(=O)[O-])s2)C1	ZINC001588838292	984336512	/nfs/dbraw/zinc/33/65/12/984336512.db2.gz	DDVVJJIZEIHRTP-SECBINFHSA-N	-1	0	295.364	0.933	20	30		CCEDRM
C=CCNC(=O)[C@H](C)N1CCc2[nH]nc(C(=O)[O-])c2C1	ZINC001588838913	984342555	/nfs/dbraw/zinc/34/25/55/984342555.db2.gz	LXDUGYUFEWNLNM-QMMMGPOBSA-N	-1	0	278.312	0.157	20	30		CCEDRM
C=CCN1CCN(CN2CCSC[C@@H]2CC(=O)[O-])C1=O	ZINC001588838910	984342855	/nfs/dbraw/zinc/34/28/55/984342855.db2.gz	LSMWSOWXDQALKN-NSHDSACASA-N	-1	0	299.396	0.760	20	30		CCEDRM
C=CCN1CC[C@H](N2CC[C@]3(CC(C(=O)[O-])=NO3)C2)C1=O	ZINC001588839032	984343781	/nfs/dbraw/zinc/34/37/81/984343781.db2.gz	NGONJKXPVNUJKK-FZMZJTMJSA-N	-1	0	293.323	0.079	20	30		CCEDRM
C=CCN1CCN(CN2CCO[C@H](CC(=O)[O-])C2)C1=O	ZINC001588839129	984344396	/nfs/dbraw/zinc/34/43/96/984344396.db2.gz	OAPYBNQWYHYKLC-LLVKDONJSA-N	-1	0	283.328	0.043	20	30		CCEDRM
C=CCN1CC[C@@H](N(C)c2ccnc(C(=O)[O-])n2)C1=O	ZINC001588840021	984352477	/nfs/dbraw/zinc/35/24/77/984352477.db2.gz	ZGBTUBNAJIVVOZ-SECBINFHSA-N	-1	0	276.296	0.398	20	30		CCEDRM
C=CCOC[C@H](NC(=O)CCc1ccnc(C)n1)C(=O)[O-]	ZINC001588853577	984384432	/nfs/dbraw/zinc/38/44/32/984384432.db2.gz	AWYBYGMSHQJCBU-LBPRGKRZSA-N	-1	0	293.323	0.490	20	30		CCEDRM
C=CCOC[C@H](NC(=O)/C=C\C1CCOCC1)C(=O)[O-]	ZINC001588853837	984386647	/nfs/dbraw/zinc/38/66/47/984386647.db2.gz	JLYJWURHEWMZMI-MVZIDQBPSA-N	-1	0	283.324	0.741	20	30		CCEDRM
C=CCOC[C@@H](NC(=O)CCc1cscn1)C(=O)[O-]	ZINC001588854223	984389252	/nfs/dbraw/zinc/38/92/52/984389252.db2.gz	ROLZGAUIJDZAMZ-SNVBAGLBSA-N	-1	0	284.337	0.848	20	30		CCEDRM
C=CCOC[C@H](NC(=O)CCOCC(F)(F)F)C(=O)[O-]	ZINC001588854281	984389969	/nfs/dbraw/zinc/38/99/69/984389969.db2.gz	UKYTVMNWONENLZ-QMMMGPOBSA-N	-1	0	299.245	0.727	20	30		CCEDRM
C=CCOC[C@H](NC(=O)Cc1cc(C)no1)C(=O)[O-]	ZINC001588856976	984402398	/nfs/dbraw/zinc/40/23/98/984402398.db2.gz	UIBCEPKQEPPJSF-JTQLQIEISA-N	-1	0	268.269	0.298	20	30		CCEDRM
C=CCOC[C@@H](NC(=O)c1cc(O)cc(C#N)c1)C(=O)[O-]	ZINC001588859801	984408679	/nfs/dbraw/zinc/40/86/79/984408679.db2.gz	XJRPVPSTOQVNNZ-GFCCVEGCSA-N	-1	0	290.275	0.649	20	30		CCEDRM
C=CCOC[C@H](NC(=O)c1cn(C(C)C)nn1)C(=O)[O-]	ZINC001588860147	984411159	/nfs/dbraw/zinc/41/11/59/984411159.db2.gz	KIVVROOFTXDWSO-JTQLQIEISA-N	-1	0	282.300	0.245	20	30		CCEDRM
C=CCOCCN1CCN(C(=O)[C@H]2C[C@@H]2C(=O)[O-])CC1	ZINC001588869203	984438879	/nfs/dbraw/zinc/43/88/79/984438879.db2.gz	ZDXUYRYYOVYLKA-RYUDHWBXSA-N	-1	0	282.340	0.054	20	30		CCEDRM
C=CCn1c(CCC)nnc1N1CCO[C@@H](C(=O)[O-])C1	ZINC001588898455	984518916	/nfs/dbraw/zinc/51/89/16/984518916.db2.gz	YPEGADMTZLITMZ-SNVBAGLBSA-N	-1	0	280.328	0.706	20	30		CCEDRM
C=CCn1c(C[S@@](C)=O)nnc1N1CC[C@H](C(=O)[O-])C1	ZINC001588900679	984521858	/nfs/dbraw/zinc/52/18/58/984521858.db2.gz	KZLAZAFTNMTLIU-GWNMQOMSSA-N	-1	0	298.368	0.254	20	30		CCEDRM
C=CCn1c(COC)nnc1N1CC[C@H](C(=O)[O-])C1	ZINC001588901669	984524887	/nfs/dbraw/zinc/52/48/87/984524887.db2.gz	YPOOIYLIAJWLFF-VIFPVBQESA-N	-1	0	266.301	0.521	20	30		CCEDRM
C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)[O-]	ZINC001588916662	984562211	/nfs/dbraw/zinc/56/22/11/984562211.db2.gz	XZBCYOACLMCPJQ-VWYCJHECSA-N	-1	0	279.296	0.113	20	30		CCEDRM
C=C[C@@H]1OCC[C@H]1CNC(=O)c1cc(C(=O)[O-])on1	ZINC001588917859	984567552	/nfs/dbraw/zinc/56/75/52/984567552.db2.gz	FHRMRTKXXWSTEB-CBAPKCEASA-N	-1	0	266.253	0.694	20	30		CCEDRM
C=C[C@H](CO)NS(=O)(=O)Cc1ccccc1C(=O)[O-]	ZINC001588919825	984574613	/nfs/dbraw/zinc/57/46/13/984574613.db2.gz	QJHVPKDKMVGDDN-SNVBAGLBSA-N	-1	0	285.321	0.351	20	30		CCEDRM
C=C[C@H](CO)NC(=O)Nc1cccc(CC(=O)[O-])n1	ZINC001588920246	984576982	/nfs/dbraw/zinc/57/69/82/984576982.db2.gz	XGDGSBXJTBYXIC-MRVPVSSYSA-N	-1	0	265.269	0.377	20	30		CCEDRM
CC#CC[C@H](CO)NC(=O)Nc1c(C(=O)[O-])cnn1C	ZINC001588926216	984592026	/nfs/dbraw/zinc/59/20/26/984592026.db2.gz	NLGJQYJUMCCLAE-MRVPVSSYSA-N	-1	0	280.284	0.014	20	30		CCEDRM
CC#CC(=O)NC1(C(=O)[O-])CCC(C(=O)OC)CC1	ZINC001588926424	984593883	/nfs/dbraw/zinc/59/38/83/984593883.db2.gz	XDOJBRZKTMMUMB-UHFFFAOYSA-N	-1	0	267.281	0.313	20	30		CCEDRM
CC(=O)C1(C(=O)N2CCC(C#N)(C(=O)[O-])CC2)CC1	ZINC001589024333	985033320	/nfs/dbraw/zinc/03/33/20/985033320.db2.gz	KIVSWEZLPATWEY-UHFFFAOYSA-N	-1	0	264.281	0.573	20	30		CCEDRM
CCOC(=O)c1cnn(CC(=O)C2(C(=O)[O-])CC2)c1C#N	ZINC001596744832	985062660	/nfs/dbraw/zinc/06/26/60/985062660.db2.gz	XAZDGAXOFBJDGO-UHFFFAOYSA-N	-1	0	291.263	0.365	20	30		CCEDRM
C[C@@H]1CN(C(=O)N[C@H]2C[C@@H](C(=O)[O-])C2)C[C@@H](C)N1CC#N	ZINC001594475445	985485602	/nfs/dbraw/zinc/48/56/02/985485602.db2.gz	KYEFTFUOZXEAFG-KKOKHZNYSA-N	-1	0	294.355	0.477	20	30		CCEDRM
C[C@H]1CN(C(=O)c2cc(C(=O)[O-])no2)C[C@H](C)N1CC#N	ZINC001594490312	985601810	/nfs/dbraw/zinc/60/18/10/985601810.db2.gz	ZQMRFFJEGYUZJA-IUCAKERBSA-N	-1	0	292.295	0.431	20	30		CCEDRM
CC(=O)Nc1cccnc1C(=O)N(CC#N)CCC(=O)[O-]	ZINC001589217506	985718147	/nfs/dbraw/zinc/71/81/47/985718147.db2.gz	GPLUSNMEWWZKKG-UHFFFAOYSA-N	-1	0	290.279	0.480	20	30		CCEDRM
CCOC[C@H]1CN(c2ccc(C(=O)[O-])nc2C#N)CCO1	ZINC001596897619	985857037	/nfs/dbraw/zinc/85/70/37/985857037.db2.gz	WKDUULVWOLFMAT-SNVBAGLBSA-N	-1	0	291.307	0.893	20	30		CCEDRM
Cc1c(C#N)c(NC(=O)c2cc(C(=O)[O-])on2)nn1C	ZINC001599973381	986046973	/nfs/dbraw/zinc/04/69/73/986046973.db2.gz	QFWZNPJHDCAQPN-UHFFFAOYSA-N	-1	0	275.224	0.539	20	30		CCEDRM
C[C@@H](C#N)CN(C)C(=O)Nc1ccc(C(=O)[O-])nn1	ZINC001589329927	986168879	/nfs/dbraw/zinc/16/88/79/986168879.db2.gz	WJWFOHAQBWXQEE-ZETCQYMHSA-N	-1	0	263.257	0.798	20	30		CCEDRM
C[C@H](C#N)OCCn1cc(C(=O)[O-])cc([N+](=O)[O-])c1=O	ZINC001589331867	986193709	/nfs/dbraw/zinc/19/37/09/986193709.db2.gz	RHLZUJKQGVHYJC-SSDOTTSWSA-N	-1	0	281.224	0.383	20	30		CCEDRM
C[C@@H](C(=O)N[C@@H](CC1CC1)C(=O)[O-])n1cnc(C#N)n1	ZINC001589385948	986482416	/nfs/dbraw/zinc/48/24/16/986482416.db2.gz	QBCPSGRPUZLGQO-CBAPKCEASA-N	-1	0	277.284	0.080	20	30		CCEDRM
C[C@H](C(=O)NCc1cc(C(=O)[O-])co1)n1cnc(C#N)n1	ZINC001589413990	986624033	/nfs/dbraw/zinc/62/40/33/986624033.db2.gz	UIQDKCJLLQZANY-SSDOTTSWSA-N	-1	0	289.251	0.318	20	30		CCEDRM
CC[C@H](C#N)C(=O)N(CCC(=O)[O-])CC(OC)OC	ZINC001594722809	987216415	/nfs/dbraw/zinc/21/64/15/987216415.db2.gz	WCHAZHACOYUNCB-SECBINFHSA-N	-1	0	272.301	0.458	20	30		CCEDRM
CC[C@@H](C#N)NS(=O)(=O)c1cnc(C)c(C(=O)[O-])c1	ZINC001597282170	987352259	/nfs/dbraw/zinc/35/22/59/987352259.db2.gz	AREXHRDPHXONBC-QMMMGPOBSA-N	-1	0	283.309	0.669	20	30		CCEDRM
CC(C)(C)C#CC(=O)N1CCOC[C@@H]1CC(=O)[O-]	ZINC001589682083	987717747	/nfs/dbraw/zinc/71/77/47/987717747.db2.gz	PFXLPVAHQPARJM-JTQLQIEISA-N	-1	0	253.298	0.738	20	30		CCEDRM
CC(C)(C)[C@@H](C#N)OC(=O)CN1CCC[C@@H](C(=O)[O-])C1=O	ZINC001589700542	987792871	/nfs/dbraw/zinc/79/28/71/987792871.db2.gz	ZCJHSNUJAFMBGQ-NXEZZACHSA-N	-1	0	296.323	0.791	20	30		CCEDRM
CC(C)(C)OC(=O)N[C@@H](CCCC#N)C(=O)NCC(=O)[O-]	ZINC001590124413	989351232	/nfs/dbraw/zinc/35/12/32/989351232.db2.gz	MVIQFNDMUJKIMM-VIFPVBQESA-N	-1	0	299.327	0.774	20	30		CCEDRM
C[C@@H]1C[C@H](C(=O)N[C@H](C#N)C2CC2)O[C@H]1C(=O)[O-]	ZINC001599874058	989395084	/nfs/dbraw/zinc/39/50/84/989395084.db2.gz	RVJUXOITANBDEK-PEBGCTIMSA-N	-1	0	252.270	0.283	20	30		CCEDRM
CC(C)[C@H](C#N)N1CCN(c2cc(C(=O)[O-])ncn2)CC1	ZINC001590953031	991018064	/nfs/dbraw/zinc/01/80/64/991018064.db2.gz	NNIPKXGUQCZXKO-LBPRGKRZSA-N	-1	0	289.339	0.845	20	30		CCEDRM
COc1nc(N2CCN(CCC#N)CC2)ccc1C(=O)[O-]	ZINC001599730348	991700367	/nfs/dbraw/zinc/70/03/67/991700367.db2.gz	BQUCIDGLPRXORF-UHFFFAOYSA-N	-1	0	290.323	0.824	20	30		CCEDRM
CN(CC(C)(C)C#N)C(=O)NC[C@H]1C[C@H]1C(=O)[O-]	ZINC001598420467	991757562	/nfs/dbraw/zinc/75/75/62/991757562.db2.gz	ZHGFWPRRLARIFI-RKDXNWHRSA-N	-1	0	253.302	0.898	20	30		CCEDRM
CN(CN1C[C@@H](C(=O)[O-])OC1=O)[C@H]1CCC[C@H]1C#N	ZINC001598503367	992466043	/nfs/dbraw/zinc/46/60/43/992466043.db2.gz	HHULREUBRBFJLL-GUBZILKMSA-N	-1	0	267.285	0.473	20	30		CCEDRM
CNC(=O)[C@H]1CCC[C@H]1Nc1ccc(C(=O)[O-])nc1C#N	ZINC001598635887	994247166	/nfs/dbraw/zinc/24/71/66/994247166.db2.gz	PYKBECXDSBLEQU-DTWKUNHWSA-N	-1	0	288.307	0.978	20	30		CCEDRM
C[C@@](NS(=O)(=O)c1ccc(C#N)o1)(C(=O)[O-])C1CC1	ZINC001593333889	994907090	/nfs/dbraw/zinc/90/70/90/994907090.db2.gz	IOTNUGPVCWDOQC-NSHDSACASA-N	-1	0	284.293	0.683	20	30		CCEDRM
COC(=O)[C@@H]1CN(c2nc(C)ccc2C#N)C[C@@H]1C(=O)[O-]	ZINC001598830811	996434561	/nfs/dbraw/zinc/43/45/61/996434561.db2.gz	ZZTHLXWPCQCHNQ-WDEREUQCSA-N	-1	0	289.291	0.572	20	30		CCEDRM
COC(=O)[C@H]1CN(c2nc(C)ccc2C#N)C[C@@H]1C(=O)[O-]	ZINC001598830809	996434593	/nfs/dbraw/zinc/43/45/93/996434593.db2.gz	ZZTHLXWPCQCHNQ-QWRGUYRKSA-N	-1	0	289.291	0.572	20	30		CCEDRM
COC1([C@@H](C(=O)[O-])N2CC[C@](F)(C#N)C2)CCC1	ZINC001599083923	997061157	/nfs/dbraw/zinc/06/11/57/997061157.db2.gz	ZJYRLFMTLYPEAQ-KOLCDFICSA-N	-1	0	256.277	0.946	20	30		CCEDRM
COCC[C@@H](NC(=O)c1cc(C#N)c[nH]1)C(=O)[O-]	ZINC001599214366	997556329	/nfs/dbraw/zinc/55/63/29/997556329.db2.gz	JAAXAUMGCANFFU-MRVPVSSYSA-N	-1	0	251.242	0.106	20	30		CCEDRM
CON=CC(=O)N(C)c1ccc(OCC(=O)[O-])cc1	ZINC001599320460	997572046	/nfs/dbraw/zinc/57/20/46/997572046.db2.gz	PIQHZYPCZAMQLB-UHFFFAOYSA-N	-1	0	266.253	0.745	20	30		CCEDRM
CO[C@@H]1CCN(C(=O)C#CC2CC2)[C@H](C(=O)[O-])C1	ZINC001599116673	997666656	/nfs/dbraw/zinc/66/66/56/997666656.db2.gz	KEBMPODGMICXFP-MNOVXSKESA-N	-1	0	251.282	0.490	20	30		CCEDRM
CO[C@H]1CCN(C(=O)CSCC#N)[C@H](C(=O)[O-])C1	ZINC001599118967	997704757	/nfs/dbraw/zinc/70/47/57/997704757.db2.gz	IWSWLWBUEFIMNL-IUCAKERBSA-N	-1	0	272.326	0.334	20	30		CCEDRM
CO[C@H]1CN(C(=O)c2ccc(C#N)[nH]2)[C@](C)(C(=O)[O-])C1	ZINC001599128554	997896467	/nfs/dbraw/zinc/89/64/67/997896467.db2.gz	BIKOBXIPWIWGQZ-RNCFNFMXSA-N	-1	0	277.280	0.591	20	30		CCEDRM
COCCN(CCC#N)C[C@@H]1[C@H](C(=O)[O-])C1(F)F	ZINC001599235890	997946070	/nfs/dbraw/zinc/94/60/70/997946070.db2.gz	WCLIOZXIUNEGTM-RKDXNWHRSA-N	-1	0	262.256	0.814	20	30		CCEDRM
COc1cc(C#N)ccc1NC(=O)N1CC(O)(C(=O)[O-])C1	ZINC001599348531	998052073	/nfs/dbraw/zinc/05/20/73/998052073.db2.gz	ZXUBWHHXBZUZCM-UHFFFAOYSA-N	-1	0	291.263	0.230	20	30		CCEDRM
CO[C@H]1CN(c2ccc(C(=O)[O-])nc2C#N)CCO1	ZINC001599136600	998053932	/nfs/dbraw/zinc/05/39/32/998053932.db2.gz	LZFWGXJTTJKYGQ-LLVKDONJSA-N	-1	0	263.253	0.461	20	30		CCEDRM
COCC#CC(=O)N[C@H]1C[C@H]2C[C@H](C(=O)[O-])C[C@H]21	ZINC001599139060	998095229	/nfs/dbraw/zinc/09/52/29/998095229.db2.gz	RQNXQMWRXXWUQI-YTWAJWBKSA-N	-1	0	251.282	0.252	20	30		CCEDRM
COc1cc(C(=O)N2C[C@H]3[C@H](C(=O)[O-])[C@H]3C2)ccc1C#N	ZINC001599352152	998114305	/nfs/dbraw/zinc/11/43/05/998114305.db2.gz	MNGMZWWZNJVDAU-PJXYFTJBSA-N	-1	0	286.287	0.969	20	30		CCEDRM
COCC#CCOC(=O)c1csc(C(=O)[O-])n1	ZINC001599140880	998127847	/nfs/dbraw/zinc/12/78/47/998127847.db2.gz	GLNFTCIXFDBWQR-UHFFFAOYSA-N	-1	0	255.251	0.648	20	30		CCEDRM
COC[C@@](C)(C#N)NC(=O)Cc1cccc(C(=O)[O-])c1	ZINC001599143757	998176121	/nfs/dbraw/zinc/17/61/21/998176121.db2.gz	CFVHCCQIAJGHBN-CQSZACIVSA-N	-1	0	276.292	0.972	20	30		CCEDRM
COC(=O)c1ccc(CN(CC#N)CC(=O)[O-])nc1	ZINC001598972636	998546428	/nfs/dbraw/zinc/54/64/28/998546428.db2.gz	QWVVNKYOKRGGRN-UHFFFAOYSA-N	-1	0	263.253	0.278	20	30		CCEDRM
COC(=O)c1sccc1C(=O)N(CC#N)CCC(=O)[O-]	ZINC001599022127	998988766	/nfs/dbraw/zinc/98/87/66/998988766.db2.gz	SKJQKXDXHHFBHD-UHFFFAOYSA-N	-1	0	296.304	0.975	20	30		CCEDRM
C[C@@H](C(=O)N1CC[C@@H](C)C[C@@H]1C(=O)[O-])n1cnc(C#N)n1	ZINC001594396418	999493885	/nfs/dbraw/zinc/49/38/85/999493885.db2.gz	XYXUAMQHJZIXOI-KXUCPTDWSA-N	-1	0	291.311	0.422	20	30		CCEDRM
C[C@H]1CCn2ncc(C(=O)N(CC#N)CC(=O)[O-])c2C1	ZINC001594452540	999652942	/nfs/dbraw/zinc/65/29/42/999652942.db2.gz	SXRKPWIMELJQTP-VIFPVBQESA-N	-1	0	276.296	0.516	20	30		CCEDRM
Cc1ncc(S(=O)(=O)[N-]c2cc(CC#N)ccn2)n1C	ZINC000600667984	362028164	/nfs/dbraw/zinc/02/81/64/362028164.db2.gz	JZSXIFYOYDLLRE-UHFFFAOYSA-N	-1	0	291.336	0.990	20	30		CCEDRM
C=CCSCCNC(=O)c1cc(C(=O)[O-])nn1C	ZINC000600869193	362083290	/nfs/dbraw/zinc/08/32/90/362083290.db2.gz	LIILUJBNBYEFCH-UHFFFAOYSA-N	-1	0	269.326	0.767	20	30		CCEDRM
CC1(C)CN(S(=O)(=O)CCCC#N)[C@H]1C(=O)[O-]	ZINC000600892359	362089792	/nfs/dbraw/zinc/08/97/92/362089792.db2.gz	NFNFWDISVBTZCB-QMMMGPOBSA-N	-1	0	260.315	0.415	20	30		CCEDRM
CN(Cc1ccc(C#N)cc1)C(=O)CCc1nnn[n-]1	ZINC000600990902	362120600	/nfs/dbraw/zinc/12/06/00/362120600.db2.gz	INMSAQGLWYJEKK-UHFFFAOYSA-N	-1	0	270.296	0.663	20	30		CCEDRM
CCCC[C@@H](NS(=O)(=O)c1cncc(C#N)c1)C(=O)[O-]	ZINC000261691849	534937767	/nfs/dbraw/zinc/93/77/67/534937767.db2.gz	HRZCGCWREYXAIZ-LLVKDONJSA-N	-1	0	297.336	0.875	20	30		CCEDRM
CN([C@@H]1CCC[C@@H]1C#N)S(=O)(=O)c1ncc[n-]1	ZINC000601510679	362296566	/nfs/dbraw/zinc/29/65/66/362296566.db2.gz	ZCJRFTXXMLZUJD-RKDXNWHRSA-N	-1	0	254.315	0.722	20	30		CCEDRM
Cc1[n-][nH]c(=NC(=O)c2cnn3c2CCC3)c1C#N	ZINC000601678067	362351420	/nfs/dbraw/zinc/35/14/20/362351420.db2.gz	BTAOVUCHDJGATR-UHFFFAOYSA-N	-1	0	256.269	0.407	20	30		CCEDRM
C=CCn1cc(CNC(=O)[C@H](C)S[C@H](C)C(=O)[O-])nn1	ZINC000601998196	362452847	/nfs/dbraw/zinc/45/28/47/362452847.db2.gz	JKXAESCDIBCJRM-DTWKUNHWSA-N	-1	0	298.368	0.675	20	30		CCEDRM
Cc1c(C#N)c(=NC(=O)c2ncc3n2CCCC3)[n-]n1C	ZINC000602352450	362595498	/nfs/dbraw/zinc/59/54/98/362595498.db2.gz	MJXXKVJNFRCKBH-UHFFFAOYSA-N	-1	0	284.323	0.807	20	30		CCEDRM
C[C@@H]1C[C@@H](NC(=O)N=c2[n-]n(C)cc2C#N)[C@@H](C)O1	ZINC000602884171	362863424	/nfs/dbraw/zinc/86/34/24/362863424.db2.gz	VNTOYGDCPFIWKU-NQMVMOMDSA-N	-1	0	263.301	0.401	20	30		CCEDRM
C[C@@H]1C[C@@H](CO)CN(C(=O)N=c2[n-]n(C)cc2C#N)C1	ZINC000602888393	362866892	/nfs/dbraw/zinc/86/68/92/362866892.db2.gz	UKZDEZYRDPPXAC-NXEZZACHSA-N	-1	0	277.328	0.196	20	30		CCEDRM
CCO[C@@H]1CCN(C(=O)N=c2[n-]n(C)cc2C#N)C[C@H]1C	ZINC000602879978	362860555	/nfs/dbraw/zinc/86/05/55/362860555.db2.gz	IGPRBUWGKVBYET-ZYHUDNBSSA-N	-1	0	291.355	0.992	20	30		CCEDRM
Cc1cc(O)c(C(=O)[O-])cc1S(=O)(=O)NC[C@@H](C)C#N	ZINC000054156593	348544227	/nfs/dbraw/zinc/54/42/27/348544227.db2.gz	WXUYRXOEFYLSOC-ZETCQYMHSA-N	-1	0	298.320	0.837	20	30		CCEDRM
N#Cc1ccc(NC(=O)N[C@@]2(C(=O)[O-])CCOC2)cc1	ZINC000085854880	349336476	/nfs/dbraw/zinc/33/64/76/349336476.db2.gz	MIAWIGHZXKPTBQ-ZDUSSCGKSA-N	-1	0	275.264	0.923	20	30		CCEDRM
N#Cc1ccc(OCC(=O)N2CCOC[C@@H]2C(=O)[O-])cc1	ZINC000088375141	349365565	/nfs/dbraw/zinc/36/55/65/349365565.db2.gz	CJVNAGRPWVGPHB-GFCCVEGCSA-N	-1	0	290.275	0.249	20	30		CCEDRM
N#Cc1ccc(C(=O)[N-]S(=O)(=O)[C@H]2CCCOC2)cc1	ZINC000408409406	137882332	/nfs/dbraw/zinc/88/23/32/137882332.db2.gz	XPOITOSAGJSSPB-LBPRGKRZSA-N	-1	0	294.332	0.797	20	30		CCEDRM
CCC[C@@H](NC(=O)c1cc(C#N)c[nH]1)c1nnn[n-]1	ZINC000136648755	350425419	/nfs/dbraw/zinc/42/54/19/350425419.db2.gz	FBOBWGPSRSGCCA-MRVPVSSYSA-N	-1	0	259.273	0.671	20	30		CCEDRM
CC#CC[C@@H](NS(=O)(=O)c1cccs1)C(=O)[O-]	ZINC000274976957	353177170	/nfs/dbraw/zinc/17/71/70/353177170.db2.gz	JIEQZNIIZVYHLK-MRVPVSSYSA-N	-1	0	273.335	0.893	20	30		CCEDRM
C[C@H](CCNS(=O)(=O)c1ccc(C#N)o1)CC(=O)[O-]	ZINC000287657458	353659957	/nfs/dbraw/zinc/65/99/57/353659957.db2.gz	VIFDXABMELXYQS-MRVPVSSYSA-N	-1	0	286.309	0.930	20	30		CCEDRM
CCOC(=O)[C@H](NC(=O)Nc1ccc(C#N)cc1)C(=O)[O-]	ZINC000618939607	366129127	/nfs/dbraw/zinc/12/91/27/366129127.db2.gz	AYVGYXVSZUBUMM-SNVBAGLBSA-N	-1	0	291.263	0.696	20	30		CCEDRM
CO[C@H](C)CS(=O)(=O)[N-]c1n[nH]c(C2CC2)c1C#N	ZINC000295953990	353925752	/nfs/dbraw/zinc/92/57/52/353925752.db2.gz	MECXRHCGFGZPEX-SSDOTTSWSA-N	-1	0	284.341	0.935	20	30		CCEDRM
C=CCOCCNC(=O)N1CC[C@H](C(=O)[O-])[C@@H](C)C1	ZINC000302553772	354082581	/nfs/dbraw/zinc/08/25/81/354082581.db2.gz	WEGFXNSSOBCSDE-QWRGUYRKSA-N	-1	0	270.329	0.941	20	30		CCEDRM
C=CCCn1cc(CSc2n[nH]c(=O)[n-]2)nn1	ZINC000655499663	412600786	/nfs/dbraw/zinc/60/07/86/412600786.db2.gz	AHNWLTBKAYYTAP-UHFFFAOYSA-N	-1	0	252.303	0.970	20	30		CCEDRM
N#Cc1ccsc1C(=O)NC1(c2nnn[n-]2)CC1	ZINC000348277880	355901820	/nfs/dbraw/zinc/90/18/20/355901820.db2.gz	AKZUBBGTNYXTHE-UHFFFAOYSA-N	-1	0	260.282	0.552	20	30		CCEDRM
CCN(C[C@@H](C)C#N)S(=O)(=O)N[C@H](C)CCC(=O)[O-]	ZINC000573971623	334981834	/nfs/dbraw/zinc/98/18/34/334981834.db2.gz	AAVFJWLYRIUHDU-VHSXEESVSA-N	-1	0	291.373	0.556	20	30		CCEDRM
COC[C@H](NS(=O)(=O)c1cccc(CC#N)c1)C(=O)[O-]	ZINC000619470697	366264272	/nfs/dbraw/zinc/26/42/72/366264272.db2.gz	FRMNCCGAEMJQDJ-NSHDSACASA-N	-1	0	298.320	0.131	20	30		CCEDRM
N#Cc1cccc(-n2ccc(C(=O)NCc3nnn[n-]3)n2)c1	ZINC000619612832	366298940	/nfs/dbraw/zinc/29/89/40/366298940.db2.gz	CQNQEOKRERIWSR-UHFFFAOYSA-N	-1	0	294.278	0.187	20	30		CCEDRM
C=CCCO[C@@H](C)C(=O)N=c1ccc(C(=O)OC)n[n-]1	ZINC000619601526	366294424	/nfs/dbraw/zinc/29/44/24/366294424.db2.gz	VTGVEGKPTNWHAV-VIFPVBQESA-N	-1	0	279.296	0.605	20	30		CCEDRM
N#Cc1ccc(CCC(=O)NCc2nnn[n-]2)cc1	ZINC000609531931	363502424	/nfs/dbraw/zinc/50/24/24/363502424.db2.gz	BTGFVOWOLURNBO-UHFFFAOYSA-N	-1	0	256.269	0.320	20	30		CCEDRM
Cn1ccc(S(=O)(=O)[N-]c2ccn(CCC#N)n2)n1	ZINC000609793648	363517045	/nfs/dbraw/zinc/51/70/45/363517045.db2.gz	JMBCTQHVQLOFTK-UHFFFAOYSA-N	-1	0	280.313	0.331	20	30		CCEDRM
C[C@H](NC(=O)N=c1[n-]n(C)cc1C#N)C(=O)NC(C)(C)C	ZINC000610527988	363572796	/nfs/dbraw/zinc/57/27/96/363572796.db2.gz	DQJYRZQYANGQNW-QMMMGPOBSA-N	-1	0	292.343	0.138	20	30		CCEDRM
CCO[C@@H]1CCCN(C(=O)N=c2[n-]n(C)cc2C#N)C1	ZINC000610527790	363572884	/nfs/dbraw/zinc/57/28/84/363572884.db2.gz	JIJMQSHXUGEAMW-LLVKDONJSA-N	-1	0	277.328	0.746	20	30		CCEDRM
Cn1cc(C#N)c(=NC(=O)NCC(=O)OC(C)(C)C)[n-]1	ZINC000610565539	363578895	/nfs/dbraw/zinc/57/88/95/363578895.db2.gz	YLHOIOQCCHSVGL-UHFFFAOYSA-N	-1	0	279.300	0.177	20	30		CCEDRM
C[C@H](NC(=O)c1cnc([O-])n(C)c1=O)c1cccc(C#N)c1	ZINC000610585451	363581437	/nfs/dbraw/zinc/58/14/37/363581437.db2.gz	OEIRAOFLKFMQSS-VIFPVBQESA-N	-1	0	298.302	0.849	20	30		CCEDRM
N#Cc1c(C2CC2)[n-][nH]c1=NC(=O)[C@@H]1CCc2nccn2C1	ZINC000377138217	357542383	/nfs/dbraw/zinc/54/23/83/357542383.db2.gz	CJARNSIXWRKSLB-SNVBAGLBSA-N	-1	0	296.334	0.978	20	30		CCEDRM
C[C@@]12CCC(=O)N1[C@@H](C(=O)N=c1[nH][n-]cc1C#N)CS2	ZINC000610620429	363587002	/nfs/dbraw/zinc/58/70/02/363587002.db2.gz	CWCIYOQZAYMAIY-PRHODGIISA-N	-1	0	291.336	0.096	20	30		CCEDRM
C=CCOC[C@H](NC(=O)N[C@@H]1CCCOC1)C(=O)[O-]	ZINC000684730813	545728378	/nfs/dbraw/zinc/72/83/78/545728378.db2.gz	SXPWIMUOFRFHNT-ZJUUUORDSA-N	-1	0	272.301	0.120	20	30		CCEDRM
C=CCOC[C@@H](NC(=O)N[C@H]1CCCOC1)C(=O)[O-]	ZINC000684730812	545729211	/nfs/dbraw/zinc/72/92/11/545729211.db2.gz	SXPWIMUOFRFHNT-VHSXEESVSA-N	-1	0	272.301	0.120	20	30		CCEDRM
C[C@H](CCNS(=O)(=O)N(C)[C@H](C)CC#N)CC(=O)[O-]	ZINC000574457401	359039600	/nfs/dbraw/zinc/03/96/00/359039600.db2.gz	OIHYUJJGXPKYQF-NXEZZACHSA-N	-1	0	291.373	0.556	20	30		CCEDRM
Cn1cc(C#N)c(=NC(=O)N[C@H](CO)C(C)(C)C)[n-]1	ZINC000610923069	363631648	/nfs/dbraw/zinc/63/16/48/363631648.db2.gz	USYSIZYNIQAZKU-SECBINFHSA-N	-1	0	265.317	0.242	20	30		CCEDRM
C[C@@H](Oc1ccccc1C#N)C(=O)N=c1cc(C(N)=O)[n-][nH]1	ZINC000610872312	363623348	/nfs/dbraw/zinc/62/33/48/363623348.db2.gz	DZLCIUKOHLWXSI-MRVPVSSYSA-N	-1	0	299.290	0.208	20	30		CCEDRM
Cn1cc(C#N)c(=NC(=O)N2CCSC[C@@H]2CCO)[n-]1	ZINC000610876659	363625232	/nfs/dbraw/zinc/62/52/32/363625232.db2.gz	LLIOZUONDGMNIV-JTQLQIEISA-N	-1	0	295.368	0.045	20	30		CCEDRM
CC[C@@H](NC(=O)N=c1[n-]n(C)cc1C#N)[C@@H]1CCCO1	ZINC000611127429	363662365	/nfs/dbraw/zinc/66/23/65/363662365.db2.gz	DPVOMLQDILNVQY-MNOVXSKESA-N	-1	0	277.328	0.793	20	30		CCEDRM
C[C@H]1CCC[C@@]1(O)CNC(=O)N=c1[n-]n(C)cc1C#N	ZINC000590819465	359526947	/nfs/dbraw/zinc/52/69/47/359526947.db2.gz	KMYKZNDQSGVWEU-TVQRCGJNSA-N	-1	0	277.328	0.386	20	30		CCEDRM
CO[C@@H]([C@H](C)NC(=O)N=c1[n-]n(C)cc1C#N)C1CC1	ZINC000590819768	359527318	/nfs/dbraw/zinc/52/73/18/359527318.db2.gz	UWAPRXDZWYUAPQ-KWQFWETISA-N	-1	0	277.328	0.649	20	30		CCEDRM
CC#CC[C@@H](NS(=O)(=O)N1CCCCC1)C(=O)[O-]	ZINC000275024258	192881910	/nfs/dbraw/zinc/88/19/10/192881910.db2.gz	PDPYDRULERXDRU-SNVBAGLBSA-N	-1	0	274.342	0.173	20	30		CCEDRM
CCN(CCC#N)S(=O)(=O)N[C@@H]1CC[C@H](C(=O)[O-])C1	ZINC000592457310	359844019	/nfs/dbraw/zinc/84/40/19/359844019.db2.gz	FLJDZQMCBAFZLI-VHSXEESVSA-N	-1	0	289.357	0.310	20	30		CCEDRM
Cn1cc(C#N)c(=NC(=O)NCc2noc(C3CC3)n2)[n-]1	ZINC000611201534	363679722	/nfs/dbraw/zinc/67/97/22/363679722.db2.gz	QNSXLHHDKVWIPD-UHFFFAOYSA-N	-1	0	287.283	0.296	20	30		CCEDRM
Cn1cc(C#N)c(=NC(=O)N2CC[C@H](C3CC3)C2)[n-]1	ZINC000611201499	363680762	/nfs/dbraw/zinc/68/07/62/363680762.db2.gz	COAXTUHJCJUTEE-JTQLQIEISA-N	-1	0	259.313	0.977	20	30		CCEDRM
N#C[C@@H](NC(=O)c1n[nH]c(=O)[n-]c1=O)C1CCCCC1	ZINC000611220022	363685901	/nfs/dbraw/zinc/68/59/01/363685901.db2.gz	FFFMYCOCGZQONG-MRVPVSSYSA-N	-1	0	277.284	0.485	20	30		CCEDRM
Cc1c(C#N)c(=NC(=O)[C@H](C)OC[C@@H]2CCCO2)[n-]n1C	ZINC000592647329	359907897	/nfs/dbraw/zinc/90/78/97/359907897.db2.gz	TYCRTZQIUUYQBX-QWRGUYRKSA-N	-1	0	292.339	0.545	20	30		CCEDRM
Cc1cc(C(=O)N=c2[n-]n(C)c(C)c2C#N)nn1C	ZINC000592646900	359907939	/nfs/dbraw/zinc/90/79/39/359907939.db2.gz	SEEGKCTZANNPID-UHFFFAOYSA-N	-1	0	258.285	0.316	20	30		CCEDRM
C[C@H]1C[C@H](CNC(=O)N=c2[n-]n(C)cc2C#N)CCO1	ZINC000611303354	363704687	/nfs/dbraw/zinc/70/46/87/363704687.db2.gz	XUIRMNIIPUXGBN-VHSXEESVSA-N	-1	0	277.328	0.650	20	30		CCEDRM
CC[C@@H](C#N)C(=O)Nc1ccc([O-])c(S(=O)(=O)NC)c1	ZINC000593894559	360197268	/nfs/dbraw/zinc/19/72/68/360197268.db2.gz	QJJZPWVLPNXGTB-QMMMGPOBSA-N	-1	0	297.336	0.789	20	30		CCEDRM
C=CCCn1cc(C[S@@](=O)[C@H](CC)C(=O)[O-])nn1	ZINC000593931317	360219234	/nfs/dbraw/zinc/21/92/34/360219234.db2.gz	INQBQFKRHCKUTD-MLCYQJTMSA-N	-1	0	271.342	0.966	20	30		CCEDRM
CC(C)[C@@H](CNS(=O)(=O)CC1(C#N)CCC1)C(=O)[O-]	ZINC000593945877	360221511	/nfs/dbraw/zinc/22/15/11/360221511.db2.gz	ZZSUDRDWGFDBCK-SNVBAGLBSA-N	-1	0	288.369	0.956	20	30		CCEDRM
N#CCC1(CNC(=O)C[C@@]2(C(=O)[O-])CCOC2)CC1	ZINC000594659768	360356436	/nfs/dbraw/zinc/35/64/36/360356436.db2.gz	AJSZHAYSUUPFRQ-ZDUSSCGKSA-N	-1	0	266.297	0.678	20	30		CCEDRM
Cn1cc(C#N)c(=NC(=O)N2CCC(C)(C#N)CC2)[n-]1	ZINC000611557518	363737622	/nfs/dbraw/zinc/73/76/22/363737622.db2.gz	SAKVWKCVIHDCAT-UHFFFAOYSA-N	-1	0	272.312	0.871	20	30		CCEDRM
N#CC1(CNC(=O)N2CCO[C@@H](C(=O)[O-])C2)CCCCC1	ZINC000595261943	360464450	/nfs/dbraw/zinc/46/44/50/360464450.db2.gz	BQFSVCPYUJRORE-LLVKDONJSA-N	-1	0	295.339	0.955	20	30		CCEDRM
Cc1cc(C#N)nc(NC[C@H](C(=O)[O-])C2CCC2)n1	ZINC000595977974	360753815	/nfs/dbraw/zinc/75/38/15/360753815.db2.gz	QXLZTMYITHFLSN-NSHDSACASA-N	-1	0	260.297	0.991	20	30		CCEDRM
Cc1cc(N[C@@H]2C[C@H](C(=O)[O-])C[C@@H]2O)cc(C#N)n1	ZINC000595979829	360754956	/nfs/dbraw/zinc/75/49/56/360754956.db2.gz	VCRARLCLCFMPRJ-AXTRIDKLSA-N	-1	0	261.281	0.320	20	30		CCEDRM
N#CC1(CNC(=O)c2cc(S(N)(=O)=O)ccc2[O-])CC1	ZINC000597611249	361162187	/nfs/dbraw/zinc/16/21/87/361162187.db2.gz	XJGQVWWPIWFMNC-UHFFFAOYSA-N	-1	0	295.320	0.073	20	30		CCEDRM
Cn1c(C2CC2)n[n-]c1=NC(=O)c1ccc(C#N)[nH]1	ZINC000597898915	361279372	/nfs/dbraw/zinc/27/93/72/361279372.db2.gz	RRVSPXJWMYKOIS-UHFFFAOYSA-N	-1	0	256.269	0.566	20	30		CCEDRM
CN=c1[n-]nc(CC(=O)N2CC[C@](C)(C#N)C2)s1	ZINC000598418846	361409618	/nfs/dbraw/zinc/40/96/18/361409618.db2.gz	YOPYFFNLDXLVDS-LLVKDONJSA-N	-1	0	265.342	0.306	20	30		CCEDRM
C=C[C@@](C)(O)C(=O)Nc1ncc(C(=O)OCC)[n-]1	ZINC000598730176	361499564	/nfs/dbraw/zinc/49/95/64/361499564.db2.gz	ZVTQCLKMONSZHL-LLVKDONJSA-N	-1	0	253.258	0.462	20	30		CCEDRM
COC(=O)c1cc(S(=O)(=O)[N-]CC2(CC#N)CC2)on1	ZINC000599302428	361643084	/nfs/dbraw/zinc/64/30/84/361643084.db2.gz	JLULCKVQTAWIIJ-UHFFFAOYSA-N	-1	0	299.308	0.433	20	30		CCEDRM
C=CCN(C)C(=O)C(=O)NC[C@@H](C(=O)[O-])C(C)C	ZINC000656010793	412731835	/nfs/dbraw/zinc/73/18/35/412731835.db2.gz	QWJZHPZTDYGHJV-SECBINFHSA-N	-1	0	256.302	0.104	20	30		CCEDRM
Cc1nn(C)c(C)c1S(=O)(=O)[N-]c1ncc(C#N)s1	ZINC000614079692	364497298	/nfs/dbraw/zinc/49/72/98/364497298.db2.gz	CQTVWAIFHWWGJV-UHFFFAOYSA-N	-1	0	297.365	0.588	20	30		CCEDRM
N#CCCCS(=O)(=O)N1CCC[C@@H]1CC(=O)[O-]	ZINC000614382551	364589296	/nfs/dbraw/zinc/58/92/96/364589296.db2.gz	TUJZFBZXRNPXQB-SECBINFHSA-N	-1	0	260.315	0.559	20	30		CCEDRM
N#Cc1ccc(C(=O)NCc2nnn[n-]2)cc1Cl	ZINC000614623411	364682931	/nfs/dbraw/zinc/68/29/31/364682931.db2.gz	MXUQZZAWBUBQMO-UHFFFAOYSA-N	-1	0	262.660	0.655	20	30		CCEDRM
N#Cc1c[n-]c(=O)n(CC(=O)CC[C@@H]2CCCCO2)c1=O	ZINC000564962606	291327069	/nfs/dbraw/zinc/32/70/69/291327069.db2.gz	GKPVVCJODJBMOS-LBPRGKRZSA-N	-1	0	291.307	0.327	20	30		CCEDRM
Cn1cc(C#N)c(=NC(=O)N(CCO)C2CCC2)[n-]1	ZINC000615253039	364896230	/nfs/dbraw/zinc/89/62/30/364896230.db2.gz	CFPLDAWMPMWZLP-UHFFFAOYSA-N	-1	0	263.301	0.092	20	30		CCEDRM
CCN(C[C@@H](C)C#N)S(=O)(=O)c1cc(C(=O)[O-])n(C)c1	ZINC000037838152	260657623	/nfs/dbraw/zinc/65/76/23/260657623.db2.gz	VSMAOHYZRBMHAL-VIFPVBQESA-N	-1	0	299.352	0.894	20	30		CCEDRM
N#Cc1cc(O)cc(C(=O)NCCc2nnc3n2CCC3)c1	ZINC000616176636	365202424	/nfs/dbraw/zinc/20/24/24/365202424.db2.gz	NVSJVCFEQKCDOM-UHFFFAOYSA-N	-1	0	297.318	0.774	20	30		CCEDRM
N#Cc1c[n-]c(=O)n(Cc2ccc3c(c2)CCC3)c1=O	ZINC000335480852	212155412	/nfs/dbraw/zinc/15/54/12/212155412.db2.gz	XMAMZXJYGFXBTQ-UHFFFAOYSA-N	-1	0	267.288	0.945	20	30		CCEDRM
C=CC[C@@H](CO)CNS(=O)(=O)c1cc([O-])cc(F)c1	ZINC000632182471	370910923	/nfs/dbraw/zinc/91/09/23/370910923.db2.gz	KPTOHAACUNMVIE-SECBINFHSA-N	-1	0	289.328	0.994	20	30		CCEDRM
C=CCOC[C@@H](NC(=O)[C@@H](OCC)C1CC1)C(=O)[O-]	ZINC000630186002	369996175	/nfs/dbraw/zinc/99/61/75/369996175.db2.gz	JRARDMOHMMGFRL-MNOVXSKESA-N	-1	0	271.313	0.574	20	30		CCEDRM
C=C(C)C[C@@H](NC(=O)c1nnn(C(C)(C)C)n1)C(=O)[O-]	ZINC000630320750	370047015	/nfs/dbraw/zinc/04/70/15/370047015.db2.gz	BJKWMPKYVLTJMF-MRVPVSSYSA-N	-1	0	281.316	0.577	20	30		CCEDRM
C=C(C)C[C@H](NC(=O)COC[C@H]1CCCO1)C(=O)[O-]	ZINC000630325790	370047545	/nfs/dbraw/zinc/04/75/45/370047545.db2.gz	LRYMKAGONBUMAC-MNOVXSKESA-N	-1	0	271.313	0.718	20	30		CCEDRM
C=C(C)C[C@@H](NC(=O)[C@H]1CC(=O)N(C2CC2)C1)C(=O)[O-]	ZINC000630316330	370043774	/nfs/dbraw/zinc/04/37/74/370043774.db2.gz	BLUJGJLXNKNRDE-GXSJLCMTSA-N	-1	0	280.324	0.533	20	30		CCEDRM
C=CCC[C@@H](NC(=O)Cc1ccnn1C)C(=O)[O-]	ZINC000630181650	369993888	/nfs/dbraw/zinc/99/38/88/369993888.db2.gz	JZJTUKRBMRJNOH-SNVBAGLBSA-N	-1	0	251.286	0.498	20	30		CCEDRM
C=CCOC[C@@H](NC(=O)c1cncnc1C(C)C)C(=O)[O-]	ZINC000630185476	369994934	/nfs/dbraw/zinc/99/49/34/369994934.db2.gz	BZGGGFURFLLYSR-LLVKDONJSA-N	-1	0	293.323	0.986	20	30		CCEDRM
C=C(C)C[C@H](NS(=O)(=O)N1CCCCC1)C(=O)[O-]	ZINC000630438112	370115880	/nfs/dbraw/zinc/11/58/80/370115880.db2.gz	LYGCVVAWDXFOPC-JTQLQIEISA-N	-1	0	276.358	0.726	20	30		CCEDRM
C=C(C)C[C@H](NS(=O)(=O)[C@@H]1CCO[C@@H](C)C1)C(=O)[O-]	ZINC000630438450	370117258	/nfs/dbraw/zinc/11/72/58/370117258.db2.gz	QITRNXMWAZDDEU-AXFHLTTASA-N	-1	0	291.369	0.893	20	30		CCEDRM
C=C(C)C[C@@H](NC(=O)NCCCn1cccn1)C(=O)[O-]	ZINC000630467468	370127710	/nfs/dbraw/zinc/12/77/10/370127710.db2.gz	BMAWBLZWXKRMPV-LLVKDONJSA-N	-1	0	280.328	0.992	20	30		CCEDRM
C[C@@H](CC(=O)[O-])NS(=O)(=O)CC1(CC#N)CC1	ZINC000574403665	335014161	/nfs/dbraw/zinc/01/41/61/335014161.db2.gz	GJAASMJMEGITTI-QMMMGPOBSA-N	-1	0	260.315	0.463	20	30		CCEDRM
CC(=O)[C@@H]1C[C@H](C(=O)N=c2[nH][n-]cc2C#N)C1(C)C	ZINC000633453424	371550586	/nfs/dbraw/zinc/55/05/86/371550586.db2.gz	XZVFIGLGVPPLKN-VHSXEESVSA-N	-1	0	260.297	0.893	20	30		CCEDRM
CCC(=O)C(=O)N=c1nc(C(C)(C)OC)[n-]s1	ZINC000634147867	371910693	/nfs/dbraw/zinc/91/06/93/371910693.db2.gz	CEFGRBTUJNIAPV-LURJTMIESA-N	-1	0	257.315	0.327	20	30		CCEDRM
C=C[C@@H]1OCC[C@H]1NC(=O)N1CC[C@](COC)(C(=O)[O-])C1	ZINC000635517151	372579314	/nfs/dbraw/zinc/57/93/14/372579314.db2.gz	XHYGUNDLXQSMLI-SUNKGSAMSA-N	-1	0	298.339	0.463	20	30		CCEDRM
C=C(C)[C@@H]1OCC[C@H]1CNC(=O)CCCc1nnn[n-]1	ZINC000635890051	373060028	/nfs/dbraw/zinc/06/00/28/373060028.db2.gz	PYZXRNIGNRYDIS-GWCFXTLKSA-N	-1	0	279.344	0.620	20	30		CCEDRM
C=CCC[C@H](NC(=O)[C@@H](OC)[C@@H]1CCOC1)C(=O)[O-]	ZINC000656492058	412814270	/nfs/dbraw/zinc/81/42/70/412814270.db2.gz	UPGBSMZEMPZKFE-VWYCJHECSA-N	-1	0	271.313	0.574	20	30		CCEDRM
C=C(C)COCCNC(=O)N1CC2CC1(C(=O)[O-])C2	ZINC000656583038	412829847	/nfs/dbraw/zinc/82/98/47/412829847.db2.gz	WREZACHDXRBIMR-UHFFFAOYSA-N	-1	0	268.313	0.838	20	30		CCEDRM
COC(=O)c1cncc(C(=O)N=c2[nH][n-]c(C)c2C#N)c1	ZINC000517417894	249219224	/nfs/dbraw/zinc/21/92/24/249219224.db2.gz	QPXZPOUJBQWWHJ-UHFFFAOYSA-N	-1	0	285.263	0.446	20	30		CCEDRM
C=CCCC[C@H](C)NC(=O)C(=O)N1CCO[C@@H](C(=O)[O-])C1	ZINC000643162967	377721036	/nfs/dbraw/zinc/72/10/36/377721036.db2.gz	OHHQFCUIUGFAIG-WDEREUQCSA-N	-1	0	298.339	0.159	20	30		CCEDRM
C=CCN1C(=O)N=NC1SC[C@H](COC)OC	ZINC000657252083	412942662	/nfs/dbraw/zinc/94/26/62/412942662.db2.gz	RLBPSGYCIOMTOB-QMMMGPOBSA-N	-1	0	259.331	0.923	20	30		CCEDRM
C#CCOc1ccc(C(=O)N[C@](C)(COC)C(=O)[O-])cc1	ZINC000262202890	533185605	/nfs/dbraw/zinc/18/56/05/533185605.db2.gz	RBZRHXBUASMGFQ-OAHLLOKOSA-N	-1	0	291.303	0.918	20	30		CCEDRM
C=CCCC(=O)N1CCC[C@H](c2nc(=O)[nH][nH]2)C1	ZINC000282972915	388760953	/nfs/dbraw/zinc/76/09/53/388760953.db2.gz	SJRXFDNSKPHSNH-VIFPVBQESA-N	-1	0	250.302	0.770	20	30		CCEDRM
C#CCN(CC#C)S(=O)(=O)c1cc(C(=O)[O-])oc1C	ZINC000185040323	388783203	/nfs/dbraw/zinc/78/32/03/388783203.db2.gz	AHDDKMQYOSGCDP-UHFFFAOYSA-N	-1	0	281.289	0.543	20	30		CCEDRM
C[C@H](CN(C)S(=O)(=O)c1ccccc1C#N)C(=O)[O-]	ZINC000042703674	388866857	/nfs/dbraw/zinc/86/68/57/388866857.db2.gz	UUWCZNDRKRLJNX-SECBINFHSA-N	-1	0	282.321	0.899	20	30		CCEDRM
C[C@H](C#N)CN(C)S(=O)(=O)N1CCCC[C@@H]1C(=O)[O-]	ZINC000037838473	388848999	/nfs/dbraw/zinc/84/89/99/388848999.db2.gz	ULEREDQXMKQONX-NXEZZACHSA-N	-1	0	289.357	0.262	20	30		CCEDRM
CO[C@H](C)C(=O)[N-]S(=O)(=O)c1c(C)nn(C)c1C	ZINC000048761812	388902956	/nfs/dbraw/zinc/90/29/56/388902956.db2.gz	VKJIGXHHJZDBNI-MRVPVSSYSA-N	-1	0	275.330	0.717	20	30		CCEDRM
C#CCO[N-]C(=O)[C@@H]1CCCN1C(=O)Cc1ccccc1	ZINC000291317045	388919814	/nfs/dbraw/zinc/91/98/14/388919814.db2.gz	SFFAEBQHIIQNRR-AWEZNQCLSA-N	-1	0	286.331	0.901	20	30		CCEDRM
C=CCCCS(=O)(=O)N[C@@H](Cc1c[nH]cn1)C(=O)[O-]	ZINC000291833391	388939879	/nfs/dbraw/zinc/93/98/79/388939879.db2.gz	GOMAOBTXAUKAPB-JTQLQIEISA-N	-1	0	287.341	0.291	20	30		CCEDRM
COc1n[n-]c(=NC(=O)NCC2(CC#N)CC2)s1	ZINC000338526694	389113256	/nfs/dbraw/zinc/11/32/56/389113256.db2.gz	QGIZLEIQNFSAQZ-UHFFFAOYSA-N	-1	0	267.314	0.784	20	30		CCEDRM
N#CCc1cccc(C(=O)NCc2n[nH]c(=O)[n-]2)c1	ZINC000358352566	389149373	/nfs/dbraw/zinc/14/93/73/389149373.db2.gz	HVMUGFSBBUMDQG-UHFFFAOYSA-N	-1	0	257.253	0.506	20	30		CCEDRM
Cn1cccc(N=C([O-])[C@H]2CCc3nn[nH]c3C2)c1=O	ZINC000328788120	389138010	/nfs/dbraw/zinc/13/80/10/389138010.db2.gz	PEQIHRVUSDMHJN-QMMMGPOBSA-N	-1	0	273.296	0.897	20	30		CCEDRM
COC(=O)CN(CC#N)C(=O)c1c([O-])cccc1F	ZINC000128279331	389176236	/nfs/dbraw/zinc/17/62/36/389176236.db2.gz	QHSHVSHKELMBJB-UHFFFAOYSA-N	-1	0	266.228	0.670	20	30		CCEDRM
CCn1cc(C(=O)/C=C/c2cn(CC(=O)[O-])nn2)cn1	ZINC000134395090	389245194	/nfs/dbraw/zinc/24/51/94/389245194.db2.gz	DQVSKNJWSZMTOB-ONEGZZNKSA-N	-1	0	275.268	0.475	20	30		CCEDRM
CC(C)n1cc(C#N)c(=NC(=O)[C@H]2CCN(C)C(=O)C2)[n-]1	ZINC000330946717	389260450	/nfs/dbraw/zinc/26/04/50/389260450.db2.gz	HATBIGDPFQFJFJ-JTQLQIEISA-N	-1	0	289.339	0.564	20	30		CCEDRM
C[C@@H]1CCC[C@@](C#N)(NC(=O)c2cnc([O-])n(C)c2=O)C1	ZINC000267677154	389373321	/nfs/dbraw/zinc/37/33/21/389373321.db2.gz	LEUHZYMNUNVTCX-YMTOWFKASA-N	-1	0	290.323	0.688	20	30		CCEDRM
C=C[C@H](C)[N-]S(=O)(=O)c1scnc1C(=O)OC	ZINC000161816835	389409813	/nfs/dbraw/zinc/40/98/13/389409813.db2.gz	AEUAIAOAWXCJDP-LURJTMIESA-N	-1	0	276.339	0.783	20	30		CCEDRM
N#Cc1cncc(S(=O)(=O)[N-]C(=O)[C@H]2CCCCO2)c1	ZINC000408482773	389365530	/nfs/dbraw/zinc/36/55/30/389365530.db2.gz	AGGJPRVIKDJLHR-LLVKDONJSA-N	-1	0	295.320	0.327	20	30		CCEDRM
C=CC[C@@H](CO)NS(=O)(=O)Cc1cc(C)no1	ZINC000350019422	389478067	/nfs/dbraw/zinc/47/80/67/389478067.db2.gz	VJBKCRHCFLGZQZ-VIFPVBQESA-N	-1	0	260.315	0.339	20	30		CCEDRM
Cc1cc([N-]S(=O)(=O)c2c[nH]c(C)n2)nn1CCC#N	ZINC000271090362	389439186	/nfs/dbraw/zinc/43/91/86/389439186.db2.gz	URGNNXPKCVIQEF-UHFFFAOYSA-N	-1	0	294.340	0.938	20	30		CCEDRM
CC(C)[C@H](NC(=O)C(=O)Nc1ccc(C#N)cc1)C(=O)[O-]	ZINC000422661858	389451979	/nfs/dbraw/zinc/45/19/79/389451979.db2.gz	MRSVZBROJFHSFJ-NSHDSACASA-N	-1	0	289.291	0.722	20	30		CCEDRM
C#CCNC(=O)[C@@H](C#N)Cn1[n-]c(C(F)(F)F)cc1=O	ZINC000181292378	389684204	/nfs/dbraw/zinc/68/42/04/389684204.db2.gz	AEJXGFYLRRHNOA-ZETCQYMHSA-N	-1	0	286.213	0.497	20	30		CCEDRM
C=CCN(C)C(=O)c1cc(S(=O)(=O)N(C)C)ccc1[O-]	ZINC000428288604	389689894	/nfs/dbraw/zinc/68/98/94/389689894.db2.gz	QQZDGUOVEGFLLU-UHFFFAOYSA-N	-1	0	298.364	0.901	20	30		CCEDRM
N#CCN1CCN(C(=O)/C=C/c2cncc(O)c2)CC1	ZINC000182035535	389698393	/nfs/dbraw/zinc/69/83/93/389698393.db2.gz	QBWTYYBZSLPJAY-OWOJBTEDSA-N	-1	0	272.308	0.468	20	30		CCEDRM
N#CC1(CNC(=O)N=c2[n-]nc3ccccn32)CCC1	ZINC000416801125	389771075	/nfs/dbraw/zinc/77/10/75/389771075.db2.gz	GOVPMTKOXAIZFB-UHFFFAOYSA-N	-1	0	270.296	0.967	20	30		CCEDRM
N#Cc1ccc(C(=O)NCc2n[nH]c(=O)[n-]2)cc1O	ZINC000442646123	389852398	/nfs/dbraw/zinc/85/23/98/389852398.db2.gz	GPCOOWWAWRFJCI-UHFFFAOYSA-N	-1	0	259.225	0.018	20	30		CCEDRM
N#Cc1ccsc1C(=O)NCCc1nc(=O)o[n-]1	ZINC000447633907	389960501	/nfs/dbraw/zinc/96/05/01/389960501.db2.gz	IHOQJFGLGWFECY-UHFFFAOYSA-N	-1	0	264.266	0.269	20	30		CCEDRM
N#CCCn1ccc(=NC(=O)c2c([O-])cccc2O)[nH]1	ZINC000436649798	389981888	/nfs/dbraw/zinc/98/18/88/389981888.db2.gz	UCDWZKZTHIZSLI-UHFFFAOYSA-N	-1	0	272.264	0.882	20	30		CCEDRM
CCn1ncc(C#N)c1[N-]S(=O)(=O)c1ccnn1C	ZINC000438227634	390003758	/nfs/dbraw/zinc/00/37/58/390003758.db2.gz	RHTVMDMMWPZWHY-UHFFFAOYSA-N	-1	0	280.313	0.309	20	30		CCEDRM
C[C@@H](CC#N)NC(=O)C(=O)N=c1[n-]nc(C(C)(C)C)s1	ZINC000438872978	390011075	/nfs/dbraw/zinc/01/10/75/390011075.db2.gz	XINIXNLAQFVGFT-ZETCQYMHSA-N	-1	0	295.368	0.614	20	30		CCEDRM
C=C(CC)CNC(=O)C(=O)N1CC[C@](C)(C(=O)[O-])C1	ZINC000420576762	390013677	/nfs/dbraw/zinc/01/36/77/390013677.db2.gz	DLXMXGYGJGFWDB-ZDUSSCGKSA-N	-1	0	268.313	0.392	20	30		CCEDRM
N#Cc1nc(NC(=O)Cc2ccc(C(N)=O)cc2)[n-]c1C#N	ZINC000488360496	390093113	/nfs/dbraw/zinc/09/31/13/390093113.db2.gz	CTSUYPCCJGDOCN-UHFFFAOYSA-N	-1	0	294.274	0.433	20	30		CCEDRM
C=C[C@@H](CCC(=O)[O-])NS(=O)(=O)N(C)[C@@H](C)C1CC1	ZINC000579081378	390138761	/nfs/dbraw/zinc/13/87/61/390138761.db2.gz	NMLNUCSVSODVTH-ONGXEEELSA-N	-1	0	290.385	0.971	20	30		CCEDRM
C=CCn1cc(C(=O)N2CC[C@@H](C(=O)[O-])C2)nn1	ZINC000647727688	390148434	/nfs/dbraw/zinc/14/84/34/390148434.db2.gz	ZVIILCCCDPTCAX-MRVPVSSYSA-N	-1	0	250.258	0.011	20	30		CCEDRM
C[C@@H](CCCC(=O)[O-])NS(=O)(=O)N(C)[C@@H](C)CC#N	ZINC000580333683	390240557	/nfs/dbraw/zinc/24/05/57/390240557.db2.gz	XWXMNCYAUVZRIR-UWVGGRQHSA-N	-1	0	291.373	0.698	20	30		CCEDRM
C=CCC1(C(=O)NCCc2nc(=O)o[n-]2)CCOCC1	ZINC000644712888	390290863	/nfs/dbraw/zinc/29/08/63/390290863.db2.gz	YMSFOLUQXMFYDX-UHFFFAOYSA-N	-1	0	281.312	0.395	20	30		CCEDRM
C=CCC[C@@H](NS(=O)(=O)N(C)CC(C)C)C(=O)[O-]	ZINC000580401838	390243365	/nfs/dbraw/zinc/24/33/65/390243365.db2.gz	XBVOTIFOCAHPLI-SNVBAGLBSA-N	-1	0	278.374	0.828	20	30		CCEDRM
C[C@H]1CCC[C@H](C)N1C(=O)Cn1c(=O)[n-]cc(C#N)c1=O	ZINC000584350742	390338125	/nfs/dbraw/zinc/33/81/25/390338125.db2.gz	ZYZUMDSNFDJAMZ-UWVGGRQHSA-N	-1	0	290.323	0.198	20	30		CCEDRM
CN=c1[n-]nc(CC(=O)NCC2(CC#N)CC2)s1	ZINC000584448171	390345198	/nfs/dbraw/zinc/34/51/98/390345198.db2.gz	LJCWLYYBRLUUNO-UHFFFAOYSA-N	-1	0	265.342	0.354	20	30		CCEDRM
N#Cc1ccc(S(=O)(=O)N[C@H](C(=O)[O-])C2CC2)o1	ZINC000554533683	390431679	/nfs/dbraw/zinc/43/16/79/390431679.db2.gz	YVLLDUQWDPIXHG-VIFPVBQESA-N	-1	0	270.266	0.293	20	30		CCEDRM
C=CCOC[C@H](NC(=O)NC[C@H]1C[C@H]1C)C(=O)[O-]	ZINC000518469277	390493180	/nfs/dbraw/zinc/49/31/80/390493180.db2.gz	BHVYRTDCOQYRNM-BBBLOLIVSA-N	-1	0	256.302	0.597	20	30		CCEDRM
C=CCn1cc(C(=O)N2CCC[C@@]2(C)C(=O)[O-])nn1	ZINC000649249688	390537605	/nfs/dbraw/zinc/53/76/05/390537605.db2.gz	KCJRONMIEGIPMH-LBPRGKRZSA-N	-1	0	264.285	0.543	20	30		CCEDRM
C=CCC[C@H](NC(=O)[C@@H]1OC[C@@H]2COCC[C@@H]12)C(=O)[O-]	ZINC000565718767	390539462	/nfs/dbraw/zinc/53/94/62/390539462.db2.gz	PWPUSJIHEKKFCS-WHOHXGKFSA-N	-1	0	283.324	0.574	20	30		CCEDRM
CN=c1[n-]nc(CC(=O)N[C@@H]2CC[C@H](C#N)C2)s1	ZINC000572994509	390817201	/nfs/dbraw/zinc/81/72/01/390817201.db2.gz	UJQUAFJNDFTPSJ-JGVFFNPUSA-N	-1	0	265.342	0.353	20	30		CCEDRM
C=CC[C@@H](CC)NC(=O)C(=O)N[C@@H]1CC[C@H](C(=O)[O-])C1	ZINC000647583923	390843560	/nfs/dbraw/zinc/84/35/60/390843560.db2.gz	LNQSJOXYFPWSAQ-HBNTYKKESA-N	-1	0	282.340	0.827	20	30		CCEDRM
COc1ccc(=NC(=O)NCCC2(O)CCC2)[n-]n1	ZINC000329067124	533250706	/nfs/dbraw/zinc/25/07/06/533250706.db2.gz	WWYSKNYWPPPRQV-UHFFFAOYSA-N	-1	0	266.301	0.538	20	30		CCEDRM
N#Cc1cncc(S(=O)(=O)NCCCC(=O)[O-])c1	ZINC000261555901	131151518	/nfs/dbraw/zinc/15/15/18/131151518.db2.gz	BRMLGKRILPTVPF-UHFFFAOYSA-N	-1	0	269.282	0.096	20	30		CCEDRM
N#Cc1cncc(S(=O)(=O)N2CCC[C@@H](C(=O)[O-])C2)c1	ZINC000261662499	131160208	/nfs/dbraw/zinc/16/02/08/131160208.db2.gz	FGDLDVSOJXKGQC-SNVBAGLBSA-N	-1	0	295.320	0.439	20	30		CCEDRM
N#Cc1cncc(S(=O)(=O)N2CCC(C(=O)[O-])CC2)c1	ZINC000261841366	131172930	/nfs/dbraw/zinc/17/29/30/131172930.db2.gz	VUOXDDATWVWBIM-UHFFFAOYSA-N	-1	0	295.320	0.439	20	30		CCEDRM
C#CCOc1ccc(C(=O)N(CCOC)CC(=O)[O-])cc1	ZINC000262387825	131216824	/nfs/dbraw/zinc/21/68/24/131216824.db2.gz	IBOGQWQJUBLYFH-UHFFFAOYSA-N	-1	0	291.303	0.872	20	30		CCEDRM
N#Cc1ccc(OCC(=O)N[C@@H](CF)C(=O)[O-])cc1	ZINC000262963030	131276022	/nfs/dbraw/zinc/27/60/22/131276022.db2.gz	NZXOXPSELDYDQS-JTQLQIEISA-N	-1	0	266.228	0.476	20	30		CCEDRM
N#Cc1cccc(S(=O)(=O)N2CSC[C@@H]2C(=O)[O-])c1	ZINC000020551517	397374456	/nfs/dbraw/zinc/37/44/56/397374456.db2.gz	AOVZBRLJUDTOJA-SNVBAGLBSA-N	-1	0	298.345	0.706	20	30		CCEDRM
Cc1c([N-]S(=O)(=O)c2cncc(C#N)c2)cnn1C	ZINC000357151006	144065314	/nfs/dbraw/zinc/06/53/14/144065314.db2.gz	RPODBMZFQXVMCQ-UHFFFAOYSA-N	-1	0	277.309	0.796	20	30		CCEDRM
N#Cc1ccc(NCc2n[nH]c(=O)[n-]2)cc1[N+](=O)[O-]	ZINC000357539599	144099532	/nfs/dbraw/zinc/09/95/32/144099532.db2.gz	SOAOANQEKPCPRW-UHFFFAOYSA-N	-1	0	260.213	0.902	20	30		CCEDRM
COC(=O)c1ccc(S(=O)(=O)[N-]c2n[nH]cc2C#N)o1	ZINC000358524398	144158080	/nfs/dbraw/zinc/15/80/80/144158080.db2.gz	GQJCYUKDPDARHZ-UHFFFAOYSA-N	-1	0	296.264	0.462	20	30		CCEDRM
C=CCCCS(=O)(=O)N1C[C@@H](C)O[C@@H](C(=O)[O-])C1	ZINC000650446097	397720924	/nfs/dbraw/zinc/72/09/24/397720924.db2.gz	JAHLPIATHXMECM-NXEZZACHSA-N	-1	0	277.342	0.456	20	30		CCEDRM
C=CCOCCCC(=O)N=c1ccc(C(=O)NC)n[n-]1	ZINC000650816652	397765183	/nfs/dbraw/zinc/76/51/83/397765183.db2.gz	BWSAUVLYHOLBOW-UHFFFAOYSA-N	-1	0	278.312	0.179	20	30		CCEDRM
C=CCCO[C@@H](C)C(=O)N=c1ccc(C(=O)NC)n[n-]1	ZINC000650816268	397765359	/nfs/dbraw/zinc/76/53/59/397765359.db2.gz	PZZAIOIONIWTFZ-VIFPVBQESA-N	-1	0	278.312	0.178	20	30		CCEDRM
N#Cc1ccc(C(=O)NCCc2n[n-]c(=N)o2)cc1Cl	ZINC000552492453	286168267	/nfs/dbraw/zinc/16/82/67/286168267.db2.gz	JGBHFKHVPQBFNV-UHFFFAOYSA-N	-1	0	291.698	0.980	20	30		CCEDRM
C=CCOC[C@H](NC(=O)Cc1occc1C)C(=O)[O-]	ZINC000659156504	413319377	/nfs/dbraw/zinc/31/93/77/413319377.db2.gz	LQJQTJHXXWHIDY-JTQLQIEISA-N	-1	0	267.281	0.903	20	30		CCEDRM
C=CCCO[C@H](C)C(=O)N[C@@H]1CCO[C@@H]1C(=O)[O-]	ZINC000659172325	413328300	/nfs/dbraw/zinc/32/83/00/413328300.db2.gz	GHUDVDIPQNWGRM-BBBLOLIVSA-N	-1	0	257.286	0.326	20	30		CCEDRM
C=CCn1cc(C(=O)N[C@H]2CCC[C@]2(C)C(=O)[O-])nn1	ZINC000659243190	413353369	/nfs/dbraw/zinc/35/33/69/413353369.db2.gz	SXEVLJNKVSFCDL-GWCFXTLKSA-N	-1	0	278.312	0.837	20	30		CCEDRM
C=CC[C@H](CC)NC(=O)C(=O)N=c1ncn(C(C)C)[n-]1	ZINC000651770462	411933133	/nfs/dbraw/zinc/93/31/33/411933133.db2.gz	UVMAYOIYEZYCSQ-JTQLQIEISA-N	-1	0	279.344	0.690	20	30		CCEDRM
C=C[C@H](CCC(=O)[O-])NS(=O)(=O)c1cccnc1	ZINC000654787536	412438752	/nfs/dbraw/zinc/43/87/52/412438752.db2.gz	AONMWWFEOKEHID-SECBINFHSA-N	-1	0	270.310	0.779	20	30		CCEDRM
C=C[C@@H]1CCCCN1C(=O)C(=O)NCC1(C(=O)[O-])CCC1	ZINC000659667718	413764429	/nfs/dbraw/zinc/76/44/29/413764429.db2.gz	NASBCIPJBOFIOO-LLVKDONJSA-N	-1	0	294.351	0.925	20	30		CCEDRM
C=CCOCCNC(=O)N1CC[C@H](OC)C[C@@H]1C(=O)[O-]	ZINC000663265702	415030755	/nfs/dbraw/zinc/03/07/55/415030755.db2.gz	JDVQLDXAMMBNEM-WDEREUQCSA-N	-1	0	286.328	0.463	20	30		CCEDRM
C=C(CC)CNC(=O)C(=O)NC[C@@H](C(=O)[O-])C1CCC1	ZINC000663627606	415099463	/nfs/dbraw/zinc/09/94/63/415099463.db2.gz	JGWPIVZMFDVZJG-LLVKDONJSA-N	-1	0	282.340	0.686	20	30		CCEDRM
C=CCNC(=O)CN1Cc2ccccc2[C@@H](C(=O)[O-])C1	ZINC000087612286	544503661	/nfs/dbraw/zinc/50/36/61/544503661.db2.gz	UQQDLQYELSMREX-ZDUSSCGKSA-N	-1	0	274.320	0.973	20	30		CCEDRM
C=CCOCCNC(=O)NC1(C(=O)[O-])CCCC1	ZINC000302367924	544981899	/nfs/dbraw/zinc/98/18/99/544981899.db2.gz	KPLHLBSWZPBUFE-UHFFFAOYSA-N	-1	0	256.302	0.886	20	30		CCEDRM
CO[C@@H](C)C(=O)[N-]S(=O)(=O)c1c(C)nn(C)c1C	ZINC000048761815	260656490	/nfs/dbraw/zinc/65/64/90/260656490.db2.gz	VKJIGXHHJZDBNI-QMMMGPOBSA-N	-1	0	275.330	0.717	20	30		CCEDRM
CC[C@@H](C#N)S(=O)(=O)[N-]c1cccc(C(N)=O)c1	ZINC000229899662	261236236	/nfs/dbraw/zinc/23/62/36/261236236.db2.gz	VSNJVNSDMYKZTG-JTQLQIEISA-N	-1	0	267.310	0.829	20	30		CCEDRM
C#CCN(CC#CC)S(=O)(=O)c1csnc1C(=O)[O-]	ZINC000491451225	261597302	/nfs/dbraw/zinc/59/73/02/261597302.db2.gz	FBQJNEYOHGZSPA-UHFFFAOYSA-N	-1	0	298.345	0.489	20	30		CCEDRM
C=CC[C@H](CO)NC(=O)c1cc([O-])ccc1[N+](=O)[O-]	ZINC000354782236	262285712	/nfs/dbraw/zinc/28/57/12/262285712.db2.gz	DNIMDHVYLJGEIK-MRVPVSSYSA-N	-1	0	266.253	0.967	20	30		CCEDRM
N#CCCCS(=O)(=O)N[C@@H]1C=C[C@@H](C(=O)[O-])C1	ZINC000274926236	263031702	/nfs/dbraw/zinc/03/17/02/263031702.db2.gz	BPKKYNFZXLBSQQ-RKDXNWHRSA-N	-1	0	258.299	0.239	20	30		CCEDRM
N#CC1(CS(=O)(=O)N[C@@H]2C=C[C@H](C(=O)[O-])C2)CC1	ZINC000275054213	263032308	/nfs/dbraw/zinc/03/23/08/263032308.db2.gz	SUOQVAYNDQPRJS-DTWKUNHWSA-N	-1	0	270.310	0.239	20	30		CCEDRM
N#CCCCCS(=O)(=O)N[C@H]1C=C[C@@H](C(=O)[O-])C1	ZINC000275085086	263032535	/nfs/dbraw/zinc/03/25/35/263032535.db2.gz	ZLGHORXBHWDOKS-ZJUUUORDSA-N	-1	0	272.326	0.629	20	30		CCEDRM
N#CCCCS(=O)(=O)N(CC(=O)[O-])Cc1ccccn1	ZINC000275360862	263033148	/nfs/dbraw/zinc/03/31/48/263033148.db2.gz	UZCDFJBTUUNXKB-UHFFFAOYSA-N	-1	0	297.336	0.602	20	30		CCEDRM
CC[C@H](C)N(CC(=O)[O-])S(=O)(=O)N(C)C[C@@H](C)C#N	ZINC000417425596	264243324	/nfs/dbraw/zinc/24/33/24/264243324.db2.gz	ZBZBLIJKIQRONT-UWVGGRQHSA-N	-1	0	291.373	0.508	20	30		CCEDRM
N#CCc1ccc(C(=O)NC2(c3nnn[n-]3)CC2)cc1	ZINC000357061099	266240741	/nfs/dbraw/zinc/24/07/41/266240741.db2.gz	VUXOBUBCENUEEW-UHFFFAOYSA-N	-1	0	268.280	0.685	20	30		CCEDRM
C#C[C@H](CC)NC(=O)C(=O)N=c1[n-]n(C(C)C)cc1C#N	ZINC000491362552	266804080	/nfs/dbraw/zinc/80/40/80/266804080.db2.gz	SSRSNBQSZPMGCP-LLVKDONJSA-N	-1	0	287.323	0.224	20	30		CCEDRM
C=CCOCCNS(=O)(=O)c1ccc(CC(=O)[O-])cc1	ZINC000380443838	545084470	/nfs/dbraw/zinc/08/44/70/545084470.db2.gz	OJCRTBABIYHSPK-UHFFFAOYSA-N	-1	0	299.348	0.795	20	30		CCEDRM
N#Cc1nc(NC(=O)[C@@H]2[C@@H]3CCCO[C@H]23)[n-]c1C#N	ZINC000356340117	303216373	/nfs/dbraw/zinc/21/63/73/303216373.db2.gz	MIUPRWGEJRFDCZ-QUNWWBBNSA-N	-1	0	257.253	0.517	20	30		CCEDRM
C=CC[C@H](CO)Nc1ccc(C(=O)[O-])c(OC)n1	ZINC000570804913	327620437	/nfs/dbraw/zinc/62/04/37/327620437.db2.gz	GSGMNFBYFSDMCB-MRVPVSSYSA-N	-1	0	252.270	0.559	20	30		CCEDRM
N#CCCCS(=O)(=O)N[C@H](Cc1ccccc1)C(=O)[O-]	ZINC000261761005	328141260	/nfs/dbraw/zinc/14/12/60/328141260.db2.gz	XVGQMVZOMUDIGG-GFCCVEGCSA-N	-1	0	296.348	0.905	20	30		CCEDRM
N#C[C@@H]1COCCN1S(=O)(=O)c1cccc(C(=O)[O-])c1	ZINC000273804589	328206585	/nfs/dbraw/zinc/20/65/85/328206585.db2.gz	TVAYLEPGKUPVMF-SNVBAGLBSA-N	-1	0	296.304	0.298	20	30		CCEDRM
CC1(C#N)CN(C(=O)c2c[nH]c3nc(=O)[n-]c(=O)c-3c2)C1	ZINC000280609784	328235917	/nfs/dbraw/zinc/23/59/17/328235917.db2.gz	ZKEHMFOLTPIDFE-UHFFFAOYSA-N	-1	0	285.263	0.422	20	30		CCEDRM
C=CCN(CC(=O)[O-])S(=O)(=O)CCC1CCOCC1	ZINC000292563060	328537890	/nfs/dbraw/zinc/53/78/90/328537890.db2.gz	YCQPOKFHHWXQTN-UHFFFAOYSA-N	-1	0	291.369	0.706	20	30		CCEDRM
CC[C@@H]1[C@H](C(=O)[O-])CCN1S(=O)(=O)CC1(C#N)CC1	ZINC000558469005	327096346	/nfs/dbraw/zinc/09/63/46/327096346.db2.gz	MFGUWBXNSIOZJP-NXEZZACHSA-N	-1	0	286.353	0.805	20	30		CCEDRM
C=CCS(=O)(=O)[N-]C(=O)[C@H]1CCC[C@H](OC)C1	ZINC000408132862	327107254	/nfs/dbraw/zinc/10/72/54/327107254.db2.gz	MGVYNUYMAAZGJI-UWVGGRQHSA-N	-1	0	261.343	0.824	20	30		CCEDRM
CCc1n[n-]c(=NC(=O)NCC2(C#N)CC2)s1	ZINC000562397267	327478939	/nfs/dbraw/zinc/47/89/39/327478939.db2.gz	QHJUGBFYEHMDDR-UHFFFAOYSA-N	-1	0	251.315	0.948	20	30		CCEDRM
C=CCOc1cccc(NC(=O)N[C@@H](CO)C(=O)[O-])c1	ZINC000562434075	327480688	/nfs/dbraw/zinc/48/06/88/327480688.db2.gz	JFJYKKBCYNFALO-NSHDSACASA-N	-1	0	280.280	0.818	20	30		CCEDRM
C=CCOC[C@H](NC(=O)N[C@H](C)Cn1cccn1)C(=O)[O-]	ZINC000569771625	327546186	/nfs/dbraw/zinc/54/61/86/327546186.db2.gz	NMKPAJCVUNVAQZ-MNOVXSKESA-N	-1	0	296.327	0.227	20	30		CCEDRM
C=CC[C@@H](CC)NC(=O)N1CCOC[C@H]1C(=O)[O-]	ZINC000393761541	329089484	/nfs/dbraw/zinc/08/94/84/329089484.db2.gz	MYEDBOQMQJSHIK-ZJUUUORDSA-N	-1	0	256.302	0.836	20	30		CCEDRM
Cc1onc(N)c1S(=O)(=O)[N-]c1ccn(CCC#N)n1	ZINC000582549501	329105931	/nfs/dbraw/zinc/10/59/31/329105931.db2.gz	DKVOQTVOYATPDG-UHFFFAOYSA-N	-1	0	296.312	0.307	20	30		CCEDRM
CC#CC[C@@H](NS(=O)(=O)c1cn(CC)c(C)n1)C(=O)[O-]	ZINC000582565721	329112279	/nfs/dbraw/zinc/11/22/79/329112279.db2.gz	PMGVWVRXBJOWEE-SNVBAGLBSA-N	-1	0	299.352	0.356	20	30		CCEDRM
N#CC1(CS(=O)(=O)N2C[C@@H]3C[C@]3(C(=O)[O-])C2)CCCC1	ZINC000584502057	329503205	/nfs/dbraw/zinc/50/32/05/329503205.db2.gz	ICXGNXBIOGEWGG-GWCFXTLKSA-N	-1	0	298.364	0.807	20	30		CCEDRM
C=CCCn1cc(C(=O)N[C@]2(CC(=O)[O-])CCOC2)nn1	ZINC000425240201	329646943	/nfs/dbraw/zinc/64/69/43/329646943.db2.gz	LSOHHIYOELHICC-ZDUSSCGKSA-N	-1	0	294.311	0.218	20	30		CCEDRM
C=CCCn1cc(C(=O)NCC2(C(=O)[O-])CC2)nn1	ZINC000425241916	329647085	/nfs/dbraw/zinc/64/70/85/329647085.db2.gz	OCDLALPFQPQFTF-UHFFFAOYSA-N	-1	0	264.285	0.449	20	30		CCEDRM
C=CC[C@@H](CC)NC(=O)C(=O)N(C)C[C@@H](C)C(=O)[O-]	ZINC000420567884	329774755	/nfs/dbraw/zinc/77/47/55/329774755.db2.gz	UMSHARYLHHDFFY-NXEZZACHSA-N	-1	0	270.329	0.636	20	30		CCEDRM
N#CCCCS(=O)(=O)N1CCC[C@@H](C(=O)[O-])C1	ZINC000262340646	330006949	/nfs/dbraw/zinc/00/69/49/330006949.db2.gz	AGBHOIIVYAOCOX-SECBINFHSA-N	-1	0	260.315	0.417	20	30		CCEDRM
C=CCOC[C@@H](NC(=O)c1cc(C(C)C)nn1C)C(=O)[O-]	ZINC000262909452	330036696	/nfs/dbraw/zinc/03/66/96/330036696.db2.gz	FHAODEJPPLXVIP-LLVKDONJSA-N	-1	0	295.339	0.929	20	30		CCEDRM
C=CCOC[C@H](NC(=O)[C@]1(C)CCCOC1)C(=O)[O-]	ZINC000263082320	330042608	/nfs/dbraw/zinc/04/26/08/330042608.db2.gz	SBQIXEZQWUIOKU-GXFFZTMASA-N	-1	0	271.313	0.575	20	30		CCEDRM
C=CCOC[C@H](NC(=O)C1(COC)CCC1)C(=O)[O-]	ZINC000263142845	330045752	/nfs/dbraw/zinc/04/57/52/330045752.db2.gz	WTQRHAHOJIPOLS-JTQLQIEISA-N	-1	0	271.313	0.575	20	30		CCEDRM
C[C@@H]1[C@H](C(=O)[O-])CCCN1S(=O)(=O)CC1(C#N)CC1	ZINC000263245744	330050499	/nfs/dbraw/zinc/05/04/99/330050499.db2.gz	SEYXITOZUYBAKJ-NXEZZACHSA-N	-1	0	286.353	0.805	20	30		CCEDRM
CCN(CCC#N)S(=O)(=O)N1CCC[C@@H]1C(=O)[O-]	ZINC000263560030	330059579	/nfs/dbraw/zinc/05/95/79/330059579.db2.gz	QTCMENDKOVBKMI-SECBINFHSA-N	-1	0	275.330	0.016	20	30		CCEDRM
CC[C@H](C)[C@H](NS(=O)(=O)N(C)[C@@H](C)CC#N)C(=O)[O-]	ZINC000263569755	330062165	/nfs/dbraw/zinc/06/21/65/330062165.db2.gz	ZRFMNEYOWXTYKI-GUBZILKMSA-N	-1	0	291.373	0.554	20	30		CCEDRM
C=CC1CCN(C(=O)C(=O)N2CC[C@@H](C(=O)[O-])C2)CC1	ZINC000422819231	330156527	/nfs/dbraw/zinc/15/65/27/330156527.db2.gz	HUADCMZNIMTVLH-LLVKDONJSA-N	-1	0	280.324	0.344	20	30		CCEDRM
C=CCCCN(C)C(=O)C(=O)N1CC[C@](C)(C(=O)[O-])C1	ZINC000422839326	330157098	/nfs/dbraw/zinc/15/70/98/330157098.db2.gz	ZVYSWGAQEUXFOR-AWEZNQCLSA-N	-1	0	282.340	0.734	20	30		CCEDRM
C[C@H]1CN(S(=O)(=O)CCCC#N)CC[C@@H]1C(=O)[O-]	ZINC000527484131	330248956	/nfs/dbraw/zinc/24/89/56/330248956.db2.gz	HYSPHNMSJSLWOQ-UWVGGRQHSA-N	-1	0	274.342	0.663	20	30		CCEDRM
C[C@]1(C(=O)[O-])CCC[C@@H]1NS(=O)(=O)CC1(C#N)CC1	ZINC000548554216	330281138	/nfs/dbraw/zinc/28/11/38/330281138.db2.gz	MOJGWBXLVKIYQH-ONGXEEELSA-N	-1	0	286.353	0.853	20	30		CCEDRM
C=CCCn1cc(C(=O)NC2(C(=O)[O-])CCCC2)nn1	ZINC000424226191	330330294	/nfs/dbraw/zinc/33/02/94/330330294.db2.gz	OHJLIGHYVSDARE-UHFFFAOYSA-N	-1	0	278.312	0.981	20	30		CCEDRM
C[C@H]1CCCN(S(=O)(=O)N(C)CCC#N)[C@H]1C(=O)[O-]	ZINC000424366141	330347958	/nfs/dbraw/zinc/34/79/58/330347958.db2.gz	ILPWMMZNNHMTAK-VHSXEESVSA-N	-1	0	289.357	0.262	20	30		CCEDRM
CC(C)(CCNC(=O)C(=O)N[C@@H]1CC[C@H](C#N)C1)C(=O)[O-]	ZINC000424399281	330350192	/nfs/dbraw/zinc/35/01/92/330350192.db2.gz	CDOXLBRGSZGSIG-VHSXEESVSA-N	-1	0	295.339	0.412	20	30		CCEDRM
C=C(CC)CNC(=O)C(=O)NCCC(C)(C)C(=O)[O-]	ZINC000424491385	330357072	/nfs/dbraw/zinc/35/70/72/330357072.db2.gz	XPQWMKBONOVNIG-UHFFFAOYSA-N	-1	0	270.329	0.686	20	30		CCEDRM
Cc1nc(=NCC2CCN(CC#N)CC2)s[n-]1	ZINC000444826958	330826746	/nfs/dbraw/zinc/82/67/46/330826746.db2.gz	HDMCXXHMJHRJOJ-UHFFFAOYSA-N	-1	0	251.359	0.916	20	30		CCEDRM
COCCN(CC#N)C(=O)c1ccc([N+](=O)[O-])cc1[O-]	ZINC000457202285	331215436	/nfs/dbraw/zinc/21/54/36/331215436.db2.gz	INPFGHFTEWJROM-UHFFFAOYSA-N	-1	0	279.252	0.913	20	30		CCEDRM
C#CCN(C(=O)C(=O)Nc1ccccc1C(=O)[O-])C1CC1	ZINC000491726181	332309990	/nfs/dbraw/zinc/30/99/90/332309990.db2.gz	FPVWPZAEONCIEX-UHFFFAOYSA-N	-1	0	286.287	0.948	20	30		CCEDRM
C#C[C@H]1COCCN1C(=O)N=c1[n-]nc(C(F)F)s1	ZINC000491742519	332321014	/nfs/dbraw/zinc/32/10/14/332321014.db2.gz	SRQAREUIOVRWBH-LURJTMIESA-N	-1	0	288.279	0.764	20	30		CCEDRM
C#C[C@H](C)N(C)C(=O)N=c1[n-]n(C)cc1C(=O)OCC	ZINC000491769376	332336546	/nfs/dbraw/zinc/33/65/46/332336546.db2.gz	NBWNKUUDTPEDSI-VIFPVBQESA-N	-1	0	278.312	0.504	20	30		CCEDRM
C#CCN(CC#CC)S(=O)(=O)c1cc(C(=O)[O-])c(C)o1	ZINC000491790149	332352172	/nfs/dbraw/zinc/35/21/72/332352172.db2.gz	XNJFPCHHPIGRCJ-UHFFFAOYSA-N	-1	0	295.316	0.933	20	30		CCEDRM
C#CCCS(=O)(=O)[N-]C(=O)/C=C/c1cncc(F)c1	ZINC000492820094	332414950	/nfs/dbraw/zinc/41/49/50/332414950.db2.gz	AJSYGUCIIJUWGR-SNAWJCMRSA-N	-1	0	282.296	0.703	20	30		CCEDRM
Cc1cc(C(=O)N[C@@H](C#N)C2CC2)[nH]c2nc(=O)[n-]c(=O)c1-2	ZINC000174727588	333006457	/nfs/dbraw/zinc/00/64/57/333006457.db2.gz	PUOHKHLKKMZVSU-VIFPVBQESA-N	-1	0	299.290	0.364	20	30		CCEDRM
C[C@H]1[C@@H](C(=O)[O-])CCN1S(=O)(=O)CC1(CC#N)CC1	ZINC000575806857	335117372	/nfs/dbraw/zinc/11/73/72/335117372.db2.gz	VEZSLOTYLNEFIA-UWVGGRQHSA-N	-1	0	286.353	0.805	20	30		CCEDRM
C=CCCS(=O)(=O)N1C[C@H](C(=O)[O-])[C@]2(CCOC2)C1	ZINC000516841697	333083905	/nfs/dbraw/zinc/08/39/05/333083905.db2.gz	LQXJFOQGWKPXNK-ZYHUDNBSSA-N	-1	0	289.353	0.315	20	30		CCEDRM
CC(C)[C@H](C(=O)[O-])[C@@H](C)NS(=O)(=O)N(C)CCC#N	ZINC000521613051	333179890	/nfs/dbraw/zinc/17/98/90/333179890.db2.gz	QQQILZAKMXRWCI-ZJUUUORDSA-N	-1	0	291.373	0.412	20	30		CCEDRM
C=CCSCCNC(=O)N1C[C@H](OC)C[C@@H]1C(=O)[O-]	ZINC000231957352	333332297	/nfs/dbraw/zinc/33/22/97/333332297.db2.gz	QZPQRMKBCZHGDB-NXEZZACHSA-N	-1	0	288.369	0.789	20	30		CCEDRM
C=C[C@](C)(O)C(=O)N=c1nc(C2(C)CC2)[n-]s1	ZINC000529700809	333506127	/nfs/dbraw/zinc/50/61/27/333506127.db2.gz	LHVWINBOLBWTNJ-NSHDSACASA-N	-1	0	253.327	0.887	20	30		CCEDRM
CC#CC[C@@H](NS(=O)(=O)c1cncc(F)c1)C(=O)[O-]	ZINC000542861342	333845908	/nfs/dbraw/zinc/84/59/08/333845908.db2.gz	LTHCRKSYJBXINN-SNVBAGLBSA-N	-1	0	286.284	0.366	20	30		CCEDRM
CC#CC[C@@H](NS(=O)(=O)N(C)CC1CC1)C(=O)[O-]	ZINC000543788520	333898859	/nfs/dbraw/zinc/89/88/59/333898859.db2.gz	SEWPJOLTFQCYFR-SNVBAGLBSA-N	-1	0	274.342	0.029	20	30		CCEDRM
CCN(C[C@H](C)C(=O)[O-])S(=O)(=O)N(C)CCC#N	ZINC000547906719	334129238	/nfs/dbraw/zinc/12/92/38/334129238.db2.gz	UMZRGICQSKASPF-VIFPVBQESA-N	-1	0	277.346	0.119	20	30		CCEDRM
CC(C)(CNS(=O)(=O)CC1(C#N)CC1)C(=O)[O-]	ZINC000548218187	334146814	/nfs/dbraw/zinc/14/68/14/334146814.db2.gz	WBRCFZCKGFIXQF-UHFFFAOYSA-N	-1	0	260.315	0.320	20	30		CCEDRM
CN(CCC#N)S(=O)(=O)N(C)CC(C)(C)C(=O)[O-]	ZINC000548255485	334147349	/nfs/dbraw/zinc/14/73/49/334147349.db2.gz	LOCNPWVLDZJQJH-UHFFFAOYSA-N	-1	0	277.346	0.119	20	30		CCEDRM
C[C@H](CNS(=O)(=O)CC1(C#N)CCCC1)C(=O)[O-]	ZINC000548521523	334162047	/nfs/dbraw/zinc/16/20/47/334162047.db2.gz	PWTCOGYWSNFJBR-SECBINFHSA-N	-1	0	274.342	0.710	20	30		CCEDRM
CC(C)[C@@H](CNS(=O)(=O)N(C)CCC#N)C(=O)[O-]	ZINC000548588599	334162957	/nfs/dbraw/zinc/16/29/57/334162957.db2.gz	RZXVZJDKUUBCRE-SECBINFHSA-N	-1	0	277.346	0.023	20	30		CCEDRM
CC[C@@H]1[C@H](C(=O)[O-])CCN1S(=O)(=O)N(C)CCC#N	ZINC000554412613	334429330	/nfs/dbraw/zinc/42/93/30/334429330.db2.gz	FENSPHDBSUONFZ-NXEZZACHSA-N	-1	0	289.357	0.262	20	30		CCEDRM
C=C1CCN(S(=O)(=O)N2CCC[C@@H]2C(=O)[O-])CC1	ZINC000564920451	334528286	/nfs/dbraw/zinc/52/82/86/334528286.db2.gz	VYKAZGMLOVHGBO-SNVBAGLBSA-N	-1	0	274.342	0.432	20	30		CCEDRM
C=CCOC[C@H](NC(=O)Nc1nccs1)C(=O)[O-]	ZINC000567883080	334771646	/nfs/dbraw/zinc/77/16/46/334771646.db2.gz	KYDSOTMAMXAKCV-ZETCQYMHSA-N	-1	0	271.298	0.920	20	30		CCEDRM
C[C@H](CC#N)N(C)S(=O)(=O)NCC(C)(C)C(=O)[O-]	ZINC000568889235	334845537	/nfs/dbraw/zinc/84/55/37/334845537.db2.gz	PZCYSKGPHXUFQS-MRVPVSSYSA-N	-1	0	277.346	0.166	20	30		CCEDRM
C=C[C@@H](CCC(=O)[O-])NS(=O)(=O)c1cn(CC)cn1	ZINC000573080191	334906292	/nfs/dbraw/zinc/90/62/92/334906292.db2.gz	PPHKYHJVZOCIFL-VIFPVBQESA-N	-1	0	287.341	0.601	20	30		CCEDRM
CC(C)(C)c1nc(Cn2c(=O)[n-]cc(C#N)c2=O)no1	ZINC000577177847	335317105	/nfs/dbraw/zinc/31/71/05/335317105.db2.gz	HLHUKIWSYRZXDQ-UHFFFAOYSA-N	-1	0	275.268	0.137	20	30		CCEDRM
C=CCOC[C@@H](NS(=O)(=O)c1cccs1)C(=O)[O-]	ZINC000577726725	335392765	/nfs/dbraw/zinc/39/27/65/335392765.db2.gz	DMKLEPWUSQJYJH-MRVPVSSYSA-N	-1	0	291.350	0.682	20	30		CCEDRM
CC(C)N([C@H](C)C(=O)[O-])S(=O)(=O)N(C)[C@H](C)CC#N	ZINC000578898266	335687211	/nfs/dbraw/zinc/68/72/11/335687211.db2.gz	SNXQCVXTGZJKEV-NXEZZACHSA-N	-1	0	291.373	0.649	20	30		CCEDRM
C=CCOC[C@@H](NC(=O)NCCc1ccco1)C(=O)[O-]	ZINC000581363151	336061200	/nfs/dbraw/zinc/06/12/00/336061200.db2.gz	KUARXAZLNKZQAD-LLVKDONJSA-N	-1	0	282.296	0.777	20	30		CCEDRM
CCCC(=O)NCC(=O)Nc1nc(C#N)c(C#N)[n-]1	ZINC000340054326	519872820	/nfs/dbraw/zinc/87/28/20/519872820.db2.gz	JPOSAADKRRWRLV-UHFFFAOYSA-N	-1	0	260.257	0.008	20	30		CCEDRM
COCCS(=O)(=O)[N-]c1nn(C(C)C)cc1C#N	ZINC000164013714	521770163	/nfs/dbraw/zinc/77/01/63/521770163.db2.gz	JTBUXVWGLBRKLM-UHFFFAOYSA-N	-1	0	272.330	0.724	20	30		CCEDRM
C=CCC[C@H](NS(=O)(=O)CC1CCOCC1)C(=O)[O-]	ZINC000521354618	545101350	/nfs/dbraw/zinc/10/13/50/545101350.db2.gz	YNTMMCHKFGKMBH-NSHDSACASA-N	-1	0	291.369	0.752	20	30		CCEDRM
N#Cc1cnc(NCCCc2n[nH]c(=O)[n-]2)c([N+](=O)[O-])c1	ZINC000450367467	534826910	/nfs/dbraw/zinc/82/69/10/534826910.db2.gz	YNEMGHDKYIIDML-UHFFFAOYSA-N	-1	0	289.255	0.730	20	30		CCEDRM
CCN(C)S(=O)(=O)[N-]C(=O)/C=C\c1cccc(C#N)c1	ZINC000491911354	527852280	/nfs/dbraw/zinc/85/22/80/527852280.db2.gz	RODCXXQIOJUSMO-FPLPWBNLSA-N	-1	0	293.348	0.884	20	30		CCEDRM
CCN1CN(C(=O)N=c2nc(SC)[n-]s2)CC1=O	ZINC000330135500	527912163	/nfs/dbraw/zinc/91/21/63/527912163.db2.gz	SPIZTWWINOLZKV-UHFFFAOYSA-N	-1	0	287.370	0.927	20	30		CCEDRM
CCCC[C@@H](Nc1c(C#N)c(=O)n(C)c(=O)n1C)C(=O)[O-]	ZINC000263568048	534938679	/nfs/dbraw/zinc/93/86/79/534938679.db2.gz	YBGFFMWHHXBFAW-SECBINFHSA-N	-1	0	294.311	0.011	20	30		CCEDRM
C=CCCOCC(=O)N1CCO[C@H](CC(=O)[O-])C1	ZINC000678983579	545400755	/nfs/dbraw/zinc/40/07/55/545400755.db2.gz	RRLXFTZRJQWBQF-SNVBAGLBSA-N	-1	0	257.286	0.281	20	30		CCEDRM
C=CC[C@@H](NS(=O)(=O)N(C)CC1CC1)C(=O)[O-]	ZINC000681558178	545456123	/nfs/dbraw/zinc/45/61/23/545456123.db2.gz	OAERQNPBHGDOKG-SECBINFHSA-N	-1	0	262.331	0.192	20	30		CCEDRM
C=CCCOCC(=O)N[C@@H](C(=O)[O-])[C@@H]1CCCOC1	ZINC000683332964	545508267	/nfs/dbraw/zinc/50/82/67/545508267.db2.gz	BNSSYXXYZUCWNG-ZYHUDNBSSA-N	-1	0	271.313	0.575	20	30		CCEDRM
COCCCC(=O)[N-]S(=O)(=O)CC1(C#N)CCCC1	ZINC000779319679	581180381	/nfs/dbraw/zinc/18/03/81/581180381.db2.gz	JMXBETJAAAURNA-UHFFFAOYSA-N	-1	0	288.369	0.943	20	30		CCEDRM
C=CCOCC(=O)[N-]S(=O)(=O)CC1(C#N)CCCC1	ZINC000779314283	581180528	/nfs/dbraw/zinc/18/05/28/581180528.db2.gz	BLXMTQVWSLSXTO-UHFFFAOYSA-N	-1	0	286.353	0.719	20	30		CCEDRM
O=C([O-])c1ccc2c(C=NN[C@@H]3CCOC3)[nH]nc2c1	ZINC000788452735	581112019	/nfs/dbraw/zinc/11/20/19/581112019.db2.gz	SQECIQFUJDHTRX-SECBINFHSA-N	-1	0	274.280	0.974	20	30		CCEDRM
O=C([O-])c1cc(C=NN[C@@H]2CCS(=O)(=O)C2)ccc1O	ZINC000777420287	581114953	/nfs/dbraw/zinc/11/49/53/581114953.db2.gz	GRZBQESJJPXJEF-SECBINFHSA-N	-1	0	298.320	0.201	20	30		CCEDRM
N#CCN(CC(=O)[O-])C(=O)c1cccc(-n2cccn2)n1	ZINC000739085670	581175068	/nfs/dbraw/zinc/17/50/68/581175068.db2.gz	CGDWDDRYPJTUPF-UHFFFAOYSA-N	-1	0	285.263	0.318	20	30		CCEDRM
C#CCCS(=O)(=O)[N-]C(=O)[C@@H]1CC1(Cl)Cl	ZINC000791110510	581207767	/nfs/dbraw/zinc/20/77/67/581207767.db2.gz	DRUQQGVJXJVUIQ-LURJTMIESA-N	-1	0	270.137	0.650	20	30		CCEDRM
C[C@@H](NC(=O)c1ccc(-n2ncc(C#N)c2N)cc1)C(=O)[O-]	ZINC000737682640	581216526	/nfs/dbraw/zinc/21/65/26/581216526.db2.gz	BSIDWKGOLXEBJB-MRVPVSSYSA-N	-1	0	299.290	0.529	20	30		CCEDRM
CNC(=O)C(C#N)=C([O-])c1ccc(-c2ncn(C)n2)cc1	ZINC000780312299	581224689	/nfs/dbraw/zinc/22/46/89/581224689.db2.gz	JNTZNKDFBJJELI-NSHDSACASA-N	-1	0	283.291	0.551	20	30		CCEDRM
COCCN(CC(=O)NC1(C#N)CCCCC1)C(=O)[O-]	ZINC000739819440	581239570	/nfs/dbraw/zinc/23/95/70/581239570.db2.gz	QVEAITXZYRIMSS-UHFFFAOYSA-N	-1	0	283.328	0.955	20	30		CCEDRM
C[C@]1(C(=O)[N-]S(=O)(=O)CCCC#N)CCCOC1	ZINC000781470003	581269378	/nfs/dbraw/zinc/26/93/78/581269378.db2.gz	MXLYNTNTFOUVNZ-NSHDSACASA-N	-1	0	274.342	0.553	20	30		CCEDRM
CC[C@H](NN=Cc1ccc2c(c1)oc(=O)n2C)C(=O)[O-]	ZINC000793057856	581282756	/nfs/dbraw/zinc/28/27/56/581282756.db2.gz	QCHLTFYWERHJAW-VIFPVBQESA-N	-1	0	277.280	0.918	20	30		CCEDRM
CC[C@H](NN=Cc1ccc(OCC(N)=O)cc1)C(=O)[O-]	ZINC000793073984	581283585	/nfs/dbraw/zinc/28/35/85/581283585.db2.gz	YPWFJPIRCMSMNH-NSHDSACASA-N	-1	0	279.296	0.337	20	30		CCEDRM
CC(C)OCCCNC(=O)C(C#N)=C([O-])c1cnn(C)n1	ZINC000793123003	581284682	/nfs/dbraw/zinc/28/46/82/581284682.db2.gz	LCHJEMJZWQHLNX-SNVBAGLBSA-N	-1	0	293.327	0.069	20	30		CCEDRM
C=CCS(=O)(=O)[N-]C(=O)c1cnc(OCC2CC2)cn1	ZINC000793180060	581287055	/nfs/dbraw/zinc/28/70/55/581287055.db2.gz	YHAJIZVEUWVZLX-UHFFFAOYSA-N	-1	0	297.336	0.511	20	30		CCEDRM
C[C@@H]1C[C@H](C)[C@@H](C(=O)[N-]S(=O)(=O)CC2(C#N)CC2)O1	ZINC000793195275	581287777	/nfs/dbraw/zinc/28/77/77/581287777.db2.gz	IIKIDDKYFHGPPN-AEJSXWLSSA-N	-1	0	286.353	0.550	20	30		CCEDRM
CCCCO[C@H](C)C(=O)[N-]S(=O)(=O)CC1(C#N)CC1	ZINC000793202776	581288175	/nfs/dbraw/zinc/28/81/75/581288175.db2.gz	BNGPQBLSLLDJKS-SNVBAGLBSA-N	-1	0	288.369	0.941	20	30		CCEDRM
CS[C@H](C)C(=O)[N-]S(=O)(=O)CC1(C#N)CC1	ZINC000793203043	581288182	/nfs/dbraw/zinc/28/81/82/581288182.db2.gz	GEXWYXIZDKDYTD-SSDOTTSWSA-N	-1	0	262.356	0.488	20	30		CCEDRM
N#Cc1ccc([C@@H](C(N)=O)N2CCC[C@H](C(=O)[O-])C2)cc1	ZINC000738430721	581319089	/nfs/dbraw/zinc/31/90/89/581319089.db2.gz	NTTPEMJFYCIZTA-STQMWFEESA-N	-1	0	287.319	0.881	20	30		CCEDRM
N#Cc1cccc(NC(=O)[C@@H]2C[C@@H](O)CN2C(=O)[O-])c1	ZINC000740320120	581326001	/nfs/dbraw/zinc/32/60/01/581326001.db2.gz	HNJIQCZEUMPEJH-MNOVXSKESA-N	-1	0	275.264	0.610	20	30		CCEDRM
Cc1ncc(S(=O)(=O)[N-]c2cnnn2C)cc1C#N	ZINC000794040832	581332490	/nfs/dbraw/zinc/33/24/90/581332490.db2.gz	AIRPHBDJBIKSLO-UHFFFAOYSA-N	-1	0	278.297	0.191	20	30		CCEDRM
C#CCNC(=O)[C@H](C)N1C[C@@H](C)N(C(=O)[O-])[C@H](C)C1	ZINC000738462266	581334679	/nfs/dbraw/zinc/33/46/79/581334679.db2.gz	XWNBKPHWVWFZLL-MXWKQRLJSA-N	-1	0	267.329	0.197	20	30		CCEDRM
C=C(Br)CNC(=O)CN(CCOC)C(=O)[O-]	ZINC000738470067	581343742	/nfs/dbraw/zinc/34/37/42/581343742.db2.gz	HIMKXZLYSNJHEA-UHFFFAOYSA-N	-1	0	295.133	0.638	20	30		CCEDRM
C=CC[C@H](C)NC(=O)NCCCN1CCN(C(=O)[O-])CC1	ZINC000738487997	581357424	/nfs/dbraw/zinc/35/74/24/581357424.db2.gz	FEERCGXZJAARGP-LBPRGKRZSA-N	-1	0	298.387	0.936	20	30		CCEDRM
Cn1ccnc(NN=Cc2cc([O-])ccc2[N+](=O)[O-])c1=O	ZINC000751132465	581360129	/nfs/dbraw/zinc/36/01/29/581360129.db2.gz	COTRQTFCANFFDT-UHFFFAOYSA-N	-1	0	289.251	0.840	20	30		CCEDRM
CC[C@@H](C)CO[N-]C(=O)[C@H](C)n1cnc(C#N)n1	ZINC000794870470	581389838	/nfs/dbraw/zinc/38/98/38/581389838.db2.gz	MUAXSMGLAWPYRK-BDAKNGLRSA-N	-1	0	251.290	0.805	20	30		CCEDRM
COc1cc(S(=O)(=O)NCCC#N)cnc1Cl	ZINC000785282733	581404257	/nfs/dbraw/zinc/40/42/57/581404257.db2.gz	YPSZVMGJKYYZIM-UHFFFAOYSA-N	-1	0	275.717	0.936	20	30		CCEDRM
COCCNC(=O)C(C#N)=C([O-])c1nc(C2CC2)oc1C	ZINC000796791622	581450815	/nfs/dbraw/zinc/45/08/15/581450815.db2.gz	YGYKFBHBKHJIOL-SNVBAGLBSA-N	-1	0	291.307	0.946	20	30		CCEDRM
N#CC1(CS(=O)(=O)[N-]C(=O)c2cncs2)CCC1	ZINC000797096306	581459206	/nfs/dbraw/zinc/45/92/06/581459206.db2.gz	DYLCMFDABRIQCA-UHFFFAOYSA-N	-1	0	285.350	0.897	20	30		CCEDRM
C[C@H]1CN(C(=O)C2(C#N)CCOCC2)CC[C@H]1NC(=O)[O-]	ZINC000739118091	581507317	/nfs/dbraw/zinc/50/73/17/581507317.db2.gz	CEPDVIUNVXFVQB-WDEREUQCSA-N	-1	0	295.339	0.811	20	30		CCEDRM
N#Cc1cccnc1NCCNC(=O)[C@@H]1C[C@H]1C(=O)[O-]	ZINC000739142551	581510904	/nfs/dbraw/zinc/51/09/04/581510904.db2.gz	PHLQZKRTNIWSFI-NXEZZACHSA-N	-1	0	274.280	0.202	20	30		CCEDRM
N#Cc1ccccc1N1CCN(C(=O)[C@@H]2C[C@@H]2C(=O)[O-])CC1	ZINC000739147064	581511304	/nfs/dbraw/zinc/51/13/04/581511304.db2.gz	PWWOTCVHJNXNCK-OLZOCXBDSA-N	-1	0	299.330	0.928	20	30		CCEDRM
N#Cc1ccccc1OCCn1cnc(C(=O)[O-])n1	ZINC000739147428	581511509	/nfs/dbraw/zinc/51/15/09/581511509.db2.gz	UNUMGSRGZKLZNG-UHFFFAOYSA-N	-1	0	258.237	0.927	20	30		CCEDRM
COC[C@@H](C)S(=O)(=O)[N-]C(=O)Cc1ccc(C#N)cc1	ZINC000733719541	581520771	/nfs/dbraw/zinc/52/07/71/581520771.db2.gz	JICLMNRCBXRGIR-SNVBAGLBSA-N	-1	0	296.348	0.582	20	30		CCEDRM
Cc1ccnc(S(=O)(=O)[N-]C(=O)CSCC#N)c1	ZINC000733863248	581527059	/nfs/dbraw/zinc/52/70/59/581527059.db2.gz	VHUJRMRFQNSEJB-UHFFFAOYSA-N	-1	0	285.350	0.452	20	30		CCEDRM
CC(C)[C@@H](CNC(=O)N1CCO[C@H](C#N)C1)NC(=O)[O-]	ZINC000738782907	581541305	/nfs/dbraw/zinc/54/13/05/581541305.db2.gz	GGOHQVVCIUXUSX-NXEZZACHSA-N	-1	0	284.316	0.213	20	30		CCEDRM
CCN(C[C@H](C)C#N)C(=O)COCCNC(=O)[O-]	ZINC000739404469	581547521	/nfs/dbraw/zinc/54/75/21/581547521.db2.gz	XALLZOGFBHQFMP-SECBINFHSA-N	-1	0	257.290	0.279	20	30		CCEDRM
C[C@@H](C#N)CN(C)C(=O)NC[C@H]1CCCN1C(=O)[O-]	ZINC000738597301	581577241	/nfs/dbraw/zinc/57/72/41/581577241.db2.gz	QTOFGFUMGFAMMP-VHSXEESVSA-N	-1	0	268.317	0.930	20	30		CCEDRM
C=CC[C@@H](C)NC(=O)Cn1[n-]cc2c(=O)ncnc1-2	ZINC000735067643	581610834	/nfs/dbraw/zinc/61/08/34/581610834.db2.gz	MVLONPJHHHAYCH-MRVPVSSYSA-N	-1	0	261.285	0.152	20	30		CCEDRM
C=C(Cl)C[N-]S(=O)(=O)c1cn(CC)nc1[N+](=O)[O-]	ZINC000754803935	581610925	/nfs/dbraw/zinc/61/09/25/581610925.db2.gz	DDOXDNBGAINYNH-UHFFFAOYSA-N	-1	0	294.720	0.842	20	30		CCEDRM
CC#CCS(=O)(=O)[N-]C(=O)[C@H]1[C@@H]2CCCC[C@@H]21	ZINC000788071985	581650305	/nfs/dbraw/zinc/65/03/05/581650305.db2.gz	SFKMYMHHWIPAFQ-URLYPYJESA-N	-1	0	255.339	0.892	20	30		CCEDRM
Cc1nn(CCC#N)c(C)c1CCC(=O)N[C@H](C)C(=O)[O-]	ZINC000740254846	581652790	/nfs/dbraw/zinc/65/27/90/581652790.db2.gz	VDVBSYSOGRAJSP-SNVBAGLBSA-N	-1	0	292.339	0.936	20	30		CCEDRM
CC#CCS(=O)(=O)[N-]C(=O)Cc1c(CC)noc1CC	ZINC000788072277	581653317	/nfs/dbraw/zinc/65/33/17/581653317.db2.gz	UKKZNPYFFBGGJF-UHFFFAOYSA-N	-1	0	298.364	0.811	20	30		CCEDRM
N#C[C@H](C(=O)NC1CCCC1)C(=O)[C@@H]1CCN(C(=O)[O-])C1	ZINC000740303505	581661681	/nfs/dbraw/zinc/66/16/81/581661681.db2.gz	KCLZBNIBHLLTAI-KOLCDFICSA-N	-1	0	293.323	0.754	20	30		CCEDRM
N#CCNC(=O)[C@@H]1C[C@H]2CCCC[C@@H]2N1C(=O)[O-]	ZINC000740305910	581662892	/nfs/dbraw/zinc/66/28/92/581662892.db2.gz	WWCKBOYMBMBMSZ-UTLUCORTSA-N	-1	0	251.286	0.937	20	30		CCEDRM
N#Cc1ccccc1OCC(=O)N[C@H]1CCN(C(=O)[O-])C1	ZINC000740323799	581665793	/nfs/dbraw/zinc/66/57/93/581665793.db2.gz	RTYRVHCNAAAWOH-NSHDSACASA-N	-1	0	289.291	0.806	20	30		CCEDRM
N#Cc1cccc(NC(=O)[C@@H]2COCCN2C(=O)[O-])c1	ZINC000740323689	581666064	/nfs/dbraw/zinc/66/60/64/581666064.db2.gz	SQTBILSKNCABRH-NSHDSACASA-N	-1	0	275.264	0.876	20	30		CCEDRM
CC(C)NC(=O)C(C#N)=C([O-])c1ccc(-c2nn[nH]n2)nc1	ZINC000735881047	581669351	/nfs/dbraw/zinc/66/93/51/581669351.db2.gz	FYQHQEPEAGQWKC-SECBINFHSA-N	-1	0	299.294	0.109	20	30		CCEDRM
C#CCOCCC(=O)[N-]S(=O)(=O)c1ccc(C)cc1F	ZINC000756567542	581671976	/nfs/dbraw/zinc/67/19/76/581671976.db2.gz	SUESUAALURNJJI-UHFFFAOYSA-N	-1	0	299.323	0.979	20	30		CCEDRM
C#CCNC(=O)Nc1nnc(CCCC(=O)[O-])s1	ZINC000736075702	581694282	/nfs/dbraw/zinc/69/42/82/581694282.db2.gz	CEBKIRQDXMMSEI-UHFFFAOYSA-N	-1	0	268.298	0.700	20	30		CCEDRM
C#CCCNC(=O)C(=O)Nc1cc(C(=O)[O-])ccc1F	ZINC000736077057	581694491	/nfs/dbraw/zinc/69/44/91/581694491.db2.gz	LYLRXJYFYAEXQJ-UHFFFAOYSA-N	-1	0	278.239	0.602	20	30		CCEDRM
C#CCSCCNC(=O)N[C@@H]1CCCN(C(=O)[O-])C1	ZINC000736088063	581700418	/nfs/dbraw/zinc/70/04/18/581700418.db2.gz	RHRAWKDSTVEXBG-SNVBAGLBSA-N	-1	0	285.369	0.794	20	30		CCEDRM
C=CCCC(=O)N1CCCn2nc(C(=O)[O-])nc21	ZINC000736097298	581701770	/nfs/dbraw/zinc/70/17/70/581701770.db2.gz	DSRBWSKVSFRDIK-UHFFFAOYSA-N	-1	0	250.258	0.679	20	30		CCEDRM
Cc1nc2cc[n-]n2c(=O)c1CC(=O)OC[C@H](C)C#N	ZINC000770939316	581703880	/nfs/dbraw/zinc/70/38/80/581703880.db2.gz	ZEQZPUQGULSDFI-MRVPVSSYSA-N	-1	0	274.280	0.576	20	30		CCEDRM
CC(=O)c1ccc(S(=O)(=O)N(CC#N)CC(=O)[O-])cc1	ZINC000736192844	581712884	/nfs/dbraw/zinc/71/28/84/581712884.db2.gz	XSNSYOLGAHYZJR-UHFFFAOYSA-N	-1	0	296.304	0.488	20	30		CCEDRM
C[C@H](C(=O)N1CCC(C(=O)[O-])CC1)N(C)CC#N	ZINC000736198515	581713575	/nfs/dbraw/zinc/71/35/75/581713575.db2.gz	AUJZBCRXMNEODH-SECBINFHSA-N	-1	0	253.302	0.153	20	30		CCEDRM
C[C@@H](C#N)C(=O)NCc1cccc(OCC(=O)[O-])c1	ZINC000736203530	581714837	/nfs/dbraw/zinc/71/48/37/581714837.db2.gz	TWRBVGJZIBYICX-VIFPVBQESA-N	-1	0	262.265	0.926	20	30		CCEDRM
N#Cc1ccc(NC(=O)Cn2[n-]cc3c(=O)ncnc2-3)cc1	ZINC000730518234	581716641	/nfs/dbraw/zinc/71/66/41/581716641.db2.gz	IFXKBVZYIIYSON-UHFFFAOYSA-N	-1	0	294.274	0.582	20	30		CCEDRM
C=CCCO[C@@H](C)C(=O)[N-]S(=O)(=O)C[C@H]1CCOC1	ZINC000762138939	581724317	/nfs/dbraw/zinc/72/43/17/581724317.db2.gz	MGGIRLSLPYNFQJ-QWRGUYRKSA-N	-1	0	291.369	0.450	20	30		CCEDRM
Cc1csc(C(C#N)=C([O-])COC(=O)[C@H](O)C2CC2)n1	ZINC000730879383	581743161	/nfs/dbraw/zinc/74/31/61/581743161.db2.gz	QZSNMZSYIBISFC-MWLCHTKSSA-N	-1	0	294.332	0.942	20	30		CCEDRM
CC(C)(NC(=O)[O-])C(=O)Nc1cnn(CC#N)c1	ZINC000736334074	581744524	/nfs/dbraw/zinc/74/45/24/581744524.db2.gz	XIJZYGQZASNTJJ-UHFFFAOYSA-N	-1	0	251.246	0.391	20	30		CCEDRM
CO[C@H](C)CS(=O)(=O)[N-]C(=O)c1cc(C#N)cs1	ZINC000764209957	581767193	/nfs/dbraw/zinc/76/71/93/581767193.db2.gz	RUQQMAKUMGLBSA-SSDOTTSWSA-N	-1	0	288.350	0.714	20	30		CCEDRM
COCCOCCC(=O)C(C#N)=C([O-])c1nccn1C	ZINC000770872093	581775577	/nfs/dbraw/zinc/77/55/77/581775577.db2.gz	RIYAAKAPTVVXTI-JTQLQIEISA-N	-1	0	279.296	0.365	20	30		CCEDRM
C=CCS(=O)(=O)[N-]C(=O)CCc1cccc2c1OCO2	ZINC000770899331	581776747	/nfs/dbraw/zinc/77/67/47/581776747.db2.gz	SMOPKNXDCHKCHI-UHFFFAOYSA-N	-1	0	297.332	0.980	20	30		CCEDRM
CC(C)n1cnnc1SCC(=O)N(CC#N)CC(=O)[O-]	ZINC000736539182	581785534	/nfs/dbraw/zinc/78/55/34/581785534.db2.gz	AOTARJFWHIBUAR-UHFFFAOYSA-N	-1	0	297.340	0.388	20	30		CCEDRM
C#CCOCCC(=O)[N-]S(=O)(=O)CC1(C#N)CCC1	ZINC000771081675	581790290	/nfs/dbraw/zinc/79/02/90/581790290.db2.gz	ZSCBQKQDPBJGCN-UHFFFAOYSA-N	-1	0	284.337	0.166	20	30		CCEDRM
N#CC1(CS(=O)(=O)[N-]C(=O)[C@@H]2C[C@]23CCOC3)CCC1	ZINC000771081398	581790473	/nfs/dbraw/zinc/79/04/73/581790473.db2.gz	XEZMABFAJOCDJH-GWCFXTLKSA-N	-1	0	298.364	0.553	20	30		CCEDRM
C#CCCCC(=O)[N-]S(=O)(=O)c1cccnc1	ZINC000759394644	581796798	/nfs/dbraw/zinc/79/67/98/581796798.db2.gz	HYAAPRIHRUCFEB-UHFFFAOYSA-N	-1	0	252.295	0.690	20	30		CCEDRM
COc1cc(C(=O)[O-])ccc1OC[C@@H](O)CN(C)CC#N	ZINC000737869053	581804567	/nfs/dbraw/zinc/80/45/67/581804567.db2.gz	WXNZFIPTDKZLKC-NSHDSACASA-N	-1	0	294.307	0.588	20	30		CCEDRM
N#Cc1cnn(C(=O)c2ccc(-c3nc(=O)o[n-]3)cc2)c1N	ZINC000732277253	581814940	/nfs/dbraw/zinc/81/49/40/581814940.db2.gz	IHTPYGJSIJDJCI-UHFFFAOYSA-N	-1	0	296.246	0.369	20	30		CCEDRM
N#Cc1ccc([O-])c(NC(=O)[C@@H]2CCCN2C(N)=O)c1	ZINC000759720997	581818038	/nfs/dbraw/zinc/81/80/38/581818038.db2.gz	WSGAIKRVUHVWFO-JTQLQIEISA-N	-1	0	274.280	0.745	20	30		CCEDRM
CC(C)[C@](C)(C#N)NC(=O)[C@@H](C)OC(=O)CCNC(=O)[O-]	ZINC000736688069	581818259	/nfs/dbraw/zinc/81/82/59/581818259.db2.gz	MPIJUEGTWIBUAH-RNCFNFMXSA-N	-1	0	299.327	0.630	20	30		CCEDRM
Cn1nc(C([O-])=C(C#N)C(=O)NC2CC2)cc1C1CC1	ZINC000744030572	581830233	/nfs/dbraw/zinc/83/02/33/581830233.db2.gz	HWZOWFFURHBDRU-SNVBAGLBSA-N	-1	0	272.308	0.899	20	30		CCEDRM
CC(C)(CCC(=O)[C@@H](C#N)C(=O)NC1CC1)NC(=O)[O-]	ZINC000738738422	581831202	/nfs/dbraw/zinc/83/12/02/581831202.db2.gz	GAHVBIXNFAYACW-SECBINFHSA-N	-1	0	281.312	0.800	20	30		CCEDRM
CCN(C)S(=O)(=O)[N-]C(=O)c1cccc(C#N)c1	ZINC000744242220	581836606	/nfs/dbraw/zinc/83/66/06/581836606.db2.gz	WPWUHXIRNDDZLT-UHFFFAOYSA-N	-1	0	267.310	0.485	20	30		CCEDRM
CCS(=O)(=O)[N-]C(=O)COc1cccc(C#N)c1	ZINC000732606133	581837054	/nfs/dbraw/zinc/83/70/54/581837054.db2.gz	PDDYGMCGQKLPGR-UHFFFAOYSA-N	-1	0	268.294	0.403	20	30		CCEDRM
C=CCS(=O)(=O)[N-]C(=O)C(C)(C)c1cccnc1	ZINC000760252702	581851926	/nfs/dbraw/zinc/85/19/26/581851926.db2.gz	ZUEHSZROZOWADN-UHFFFAOYSA-N	-1	0	268.338	0.991	20	30		CCEDRM
COC[C@@H](C)C(=O)Nc1ccc(-c2nn[nH]n2)c(C#N)c1	ZINC000736969692	581876308	/nfs/dbraw/zinc/87/63/08/581876308.db2.gz	YAQMEGFRCUHWHP-MRVPVSSYSA-N	-1	0	286.295	0.959	20	30		CCEDRM
C=CCS(=O)(=O)[N-]C(=O)c1cc(C2CC2)n(C)n1	ZINC000772715082	581885478	/nfs/dbraw/zinc/88/54/78/581885478.db2.gz	FNMQTTDAOWDMCC-UHFFFAOYSA-N	-1	0	269.326	0.543	20	30		CCEDRM
C=CCS(=O)(=O)[N-]C(=O)c1ccc(CNC(N)=O)cc1	ZINC000772715774	581886195	/nfs/dbraw/zinc/88/61/95/581886195.db2.gz	RGNGSJSSBDVXAT-UHFFFAOYSA-N	-1	0	297.336	0.101	20	30		CCEDRM
C=CCS(=O)(=O)[N-]C(=O)c1ccc(Cn2cccn2)o1	ZINC000772720811	581886602	/nfs/dbraw/zinc/88/66/02/581886602.db2.gz	VVYSGLABAQZBQE-UHFFFAOYSA-N	-1	0	295.320	0.770	20	30		CCEDRM
C=CCS(=O)(=O)[N-]C(=O)c1nc(C)n2ccccc12	ZINC000772721587	581886682	/nfs/dbraw/zinc/88/66/82/581886682.db2.gz	SYBYPONBBUUACF-UHFFFAOYSA-N	-1	0	279.321	0.888	20	30		CCEDRM
COCCNC(=O)C(C#N)=C([O-])c1ccc2nccnc2c1	ZINC000761097956	581887894	/nfs/dbraw/zinc/88/78/94/581887894.db2.gz	DGOIJKDERGBTQE-LLVKDONJSA-N	-1	0	298.302	0.715	20	30		CCEDRM
C=CCS(=O)(=O)[N-]C(=O)[C@@H]1CCC(=O)c2cccn21	ZINC000789457528	581889779	/nfs/dbraw/zinc/88/97/79/581889779.db2.gz	ALEPZVZGMUOQCA-JTQLQIEISA-N	-1	0	282.321	0.638	20	30		CCEDRM
CCN(CC#N)CC(=O)N[C@@H](CC(C)C)C(=O)[O-]	ZINC000737067649	581895480	/nfs/dbraw/zinc/89/54/80/581895480.db2.gz	JZJYGXUDCDACPF-JTQLQIEISA-N	-1	0	255.318	0.447	20	30		CCEDRM
C=CCN(CC(=O)[O-])C(=O)c1cnn2cccnc12	ZINC000762068076	581929859	/nfs/dbraw/zinc/92/98/59/581929859.db2.gz	NBSJOKWLALYNTI-UHFFFAOYSA-N	-1	0	260.253	0.442	20	30		CCEDRM
CN(CC(=O)[O-])C(=O)Cc1ccc(OCC#N)cc1	ZINC000737401714	581952980	/nfs/dbraw/zinc/95/29/80/581952980.db2.gz	RPOCRWCQFADPSH-UHFFFAOYSA-N	-1	0	262.265	0.674	20	30		CCEDRM
C#CCCCCC(=O)Nc1n[n-]c(S(C)(=O)=O)n1	ZINC000774287005	581968861	/nfs/dbraw/zinc/96/88/61/581968861.db2.gz	KSIRZJRTTRBDKZ-UHFFFAOYSA-N	-1	0	270.314	0.340	20	30		CCEDRM
CN1CCN(N=Cc2cc(C(=O)[O-])ccc2O)CC1	ZINC000737528516	581972993	/nfs/dbraw/zinc/97/29/93/581972993.db2.gz	GEKZUKFQENOZDD-UHFFFAOYSA-N	-1	0	263.297	0.672	20	30		CCEDRM
N#Cc1ccc([O-])c(NC(=O)c2c[nH]c(C(N)=O)c2)c1	ZINC000748410167	581974132	/nfs/dbraw/zinc/97/41/32/581974132.db2.gz	CSWJFUSYBJPIHC-UHFFFAOYSA-N	-1	0	270.248	0.943	20	30		CCEDRM
C=CCS(=O)(=O)[N-]C(=O)c1ccc2c(c1)OCO2	ZINC000763034226	581979513	/nfs/dbraw/zinc/97/95/13/581979513.db2.gz	RTWVRHKVIIMXRB-UHFFFAOYSA-N	-1	0	269.278	0.661	20	30		CCEDRM
N#Cc1nc(NC(=O)C2(C(=O)NC3CC3)CC2)[n-]c1C#N	ZINC000749725627	582019422	/nfs/dbraw/zinc/01/94/22/582019422.db2.gz	NEAGTEKQRAYFJC-UHFFFAOYSA-N	-1	0	284.279	0.150	20	30		CCEDRM
N#Cc1cc(F)ccc1NC(=O)NOCC(N)=O	ZINC000775521665	582027360	/nfs/dbraw/zinc/02/73/60/582027360.db2.gz	XGODAGREKNVGKU-UHFFFAOYSA-N	-1	0	252.205	0.236	20	30		CCEDRM
N#Cc1ccc([C@@H](SCC(=O)[O-])C(N)=O)cc1	ZINC000738433076	582045264	/nfs/dbraw/zinc/04/52/64/582045264.db2.gz	WJINQRBFVSQCKC-SNVBAGLBSA-N	-1	0	250.279	0.902	20	30		CCEDRM
Cc1nn(C)cc1C(=O)[N-]S(=O)(=O)CCCC#N	ZINC000776118407	582052341	/nfs/dbraw/zinc/05/23/41/582052341.db2.gz	MCKHFQAUELZTAE-UHFFFAOYSA-N	-1	0	270.314	0.092	20	30		CCEDRM
CC(C)(C#N)CS(=O)(=O)[N-]C(=O)c1cc(C2CC2)n[nH]1	ZINC000776138513	582053455	/nfs/dbraw/zinc/05/34/55/582053455.db2.gz	NUSZGUDNDWPYJE-UHFFFAOYSA-N	-1	0	296.352	0.896	20	30		CCEDRM
Cc1cc(C(=O)[N-]S(=O)(=O)CC(C)(C)C#N)nn1C	ZINC000776135506	582053581	/nfs/dbraw/zinc/05/35/81/582053581.db2.gz	FCIGKXHMHVLOST-UHFFFAOYSA-N	-1	0	284.341	0.338	20	30		CCEDRM
C#CCSCCNC(=O)NCCN(CC)C(=O)[O-]	ZINC000738470871	582054429	/nfs/dbraw/zinc/05/44/29/582054429.db2.gz	SSSQEQFGBAEKKD-UHFFFAOYSA-N	-1	0	273.358	0.652	20	30		CCEDRM
O=C([O-])Cn1cc(/C=C/C(=O)c2ccncc2)nn1	ZINC000776188620	582057186	/nfs/dbraw/zinc/05/71/86/582057186.db2.gz	XTODMSPNTQDQLZ-OWOJBTEDSA-N	-1	0	258.237	0.654	20	30		CCEDRM
C[C@H](C#N)C(=O)N1CCC[C@H](CN(C)C(=O)[O-])C1	ZINC000738596000	582064397	/nfs/dbraw/zinc/06/43/97/582064397.db2.gz	DNOAGOZNZJQAMB-NXEZZACHSA-N	-1	0	253.302	0.994	20	30		CCEDRM
C[C@@H](C(=O)N(C)CCC#N)N1CCCN(C(=O)[O-])CC1	ZINC000738603047	582065026	/nfs/dbraw/zinc/06/50/26/582065026.db2.gz	ORMCWSZJRWJIPN-NSHDSACASA-N	-1	0	282.344	0.433	20	30		CCEDRM
CC(C)S(=O)(=O)NN=Cc1cc([O-])ccc1[N+](=O)[O-]	ZINC000751132966	582071117	/nfs/dbraw/zinc/07/11/17/582071117.db2.gz	KJSFJFGITQOWBN-UHFFFAOYSA-N	-1	0	287.297	0.962	20	30		CCEDRM
CC(C)[C@H](C#N)NC(=O)CN(C[C@H]1CCCO1)C(=O)[O-]	ZINC000738761887	582074175	/nfs/dbraw/zinc/07/41/75/582074175.db2.gz	NUMSKNJDMWPFET-MNOVXSKESA-N	-1	0	283.328	0.810	20	30		CCEDRM
C=CCN(CC(=O)[O-])S(=O)(=O)c1ccc(Cl)nc1	ZINC000776681230	582086877	/nfs/dbraw/zinc/08/68/77/582086877.db2.gz	LZFGOFPTGQYGEV-UHFFFAOYSA-N	-1	0	290.728	0.996	20	30		CCEDRM
Cc1nn(CCC(=O)[O-])c(C)c1C=NNC(=S)N(C)C	ZINC000738923447	582089474	/nfs/dbraw/zinc/08/94/74/582089474.db2.gz	WABDEOMBCAPKJW-UHFFFAOYSA-N	-1	0	297.384	0.745	20	30		CCEDRM
N#C[C@H]1CN(C(=O)CCCNC(=O)[O-])CCN1C1CC1	ZINC000739069927	582100550	/nfs/dbraw/zinc/10/05/50/582100550.db2.gz	VCBZGEXMPYNBPI-NSHDSACASA-N	-1	0	280.328	0.233	20	30		CCEDRM
N#CCCn1ccc(NC(=O)CCSCC(=O)[O-])n1	ZINC000739075903	582101337	/nfs/dbraw/zinc/10/13/37/582101337.db2.gz	PLAUXGJJYPPBKV-UHFFFAOYSA-N	-1	0	282.325	0.943	20	30		CCEDRM
N#CCN(CC(=O)[O-])C(=O)CNC(=O)CC1CCCC1	ZINC000739078271	582101416	/nfs/dbraw/zinc/10/14/16/582101416.db2.gz	CQWDCPFEKQHKFQ-UHFFFAOYSA-N	-1	0	281.312	0.120	20	30		CCEDRM
N#CCN(CC(=O)[O-])C(=O)[C@H]1CSCCS1	ZINC000739076627	582101567	/nfs/dbraw/zinc/10/15/67/582101567.db2.gz	BBXSDKONQIDVMT-SSDOTTSWSA-N	-1	0	260.340	0.272	20	30		CCEDRM
N#CCN(CC(=O)[O-])C(=O)c1cccc2c1OCCO2	ZINC000739086094	582101835	/nfs/dbraw/zinc/10/18/35/582101835.db2.gz	FWSXJTNHQRTSIW-UHFFFAOYSA-N	-1	0	276.248	0.508	20	30		CCEDRM
C[C@H]1CC(N=C([O-])CS(=O)(=O)C(C)(C)C)=NO1	ZINC000768488988	582107245	/nfs/dbraw/zinc/10/72/45/582107245.db2.gz	LYQIPKLUYHUOLX-ZETCQYMHSA-N	-1	0	262.331	0.438	20	30		CCEDRM
CC[C@H](C)[C@@](C)(O)CNC(=O)[C@](C)(C#N)CC(=O)[O-]	ZINC000820266104	615688681	/nfs/dbraw/zinc/68/86/81/615688681.db2.gz	AGAIGLVSZTYLJI-XDTLVQLUSA-N	-1	0	270.329	0.904	20	30		CCEDRM
N#C[C@@H](NC(=O)CN(CC1CC1)C(=O)[O-])C1CC1	ZINC000831071103	602895507	/nfs/dbraw/zinc/89/55/07/602895507.db2.gz	YGTQEEZRSHXXSW-SNVBAGLBSA-N	-1	0	251.286	0.795	20	30		CCEDRM
CC(C)C[C@H](NS(=O)(=O)CCCC#N)C(=O)[O-]	ZINC000261722195	597054466	/nfs/dbraw/zinc/05/44/66/597054466.db2.gz	RFFJOPXZZXBCOV-VIFPVBQESA-N	-1	0	262.331	0.709	20	30		CCEDRM
N#Cc1cccnc1NCCNC(=O)NCCC(=O)[O-]	ZINC000819111313	597227909	/nfs/dbraw/zinc/22/79/09/597227909.db2.gz	QYHKSBHGAINDKK-UHFFFAOYSA-N	-1	0	277.284	0.139	20	30		CCEDRM
C#CCOCCNC(=O)N1CC[C@@H](C)[C@@H](C(=O)[O-])C1	ZINC000831039469	612986492	/nfs/dbraw/zinc/98/64/92/612986492.db2.gz	YYPAJMARQRZJPS-MNOVXSKESA-N	-1	0	268.313	0.388	20	30		CCEDRM
N#CCN1CCC[C@@H](CNC(=O)CSCC(=O)[O-])C1	ZINC000819091028	597484372	/nfs/dbraw/zinc/48/43/72/597484372.db2.gz	OCSXFPJKQYUXFX-JTQLQIEISA-N	-1	0	285.369	0.156	20	30		CCEDRM
C[C@](C#N)(CC(=O)[O-])C(=O)OCC(=O)NCC1CCC1	ZINC000819865855	597616546	/nfs/dbraw/zinc/61/65/46/597616546.db2.gz	OWVXABTXAYXJAH-CYBMUJFWSA-N	-1	0	282.296	0.450	20	30		CCEDRM
C[C@H]1CCCCN1C(=O)COC(=O)[C@](C)(C#N)CC(=O)[O-]	ZINC000820235669	597622309	/nfs/dbraw/zinc/62/23/09/597622309.db2.gz	RRONJAAQLOMWIS-HZMBPMFUSA-N	-1	0	296.323	0.935	20	30		CCEDRM
C[C@@](C#N)(CC(=O)[O-])C(=O)NC[C@@H]1CCCN(CC#N)C1	ZINC000819834538	597649638	/nfs/dbraw/zinc/64/96/38/597649638.db2.gz	OHZVSOAYDVDATE-FZMZJTMJSA-N	-1	0	292.339	0.343	20	30		CCEDRM
Cc1ccc([C@@H](O)CNC(=O)[C@](C)(C#N)CC(=O)[O-])o1	ZINC000821069403	597650766	/nfs/dbraw/zinc/65/07/66/597650766.db2.gz	ABMIPXKMFZPFBC-ZANVPECISA-N	-1	0	280.280	0.742	20	30		CCEDRM
Cc1onc(CC(=O)NC2(C(=O)[O-])CCCC2)c1C#N	ZINC000821256918	598220273	/nfs/dbraw/zinc/22/02/73/598220273.db2.gz	CUEHUJOOSLBEBY-UHFFFAOYSA-N	-1	0	277.280	0.911	20	30		CCEDRM
Cc1onc(CC(=O)N[C@H](C(=O)[O-])C(C)C)c1C#N	ZINC000821258145	598220560	/nfs/dbraw/zinc/22/05/60/598220560.db2.gz	ZJRSUNCTPOTBSB-NSHDSACASA-N	-1	0	265.269	0.623	20	30		CCEDRM
C[C@@](C#N)(CC(=O)[O-])C(=O)NCCNC(=O)c1ccco1	ZINC000819842863	598223124	/nfs/dbraw/zinc/22/31/24/598223124.db2.gz	VWTFQTIUROEGTL-ZDUSSCGKSA-N	-1	0	293.279	0.130	20	30		CCEDRM
Cn1cc(CCCNC(=O)[C@@](C)(C#N)CC(=O)[O-])cn1	ZINC000821287072	598226427	/nfs/dbraw/zinc/22/64/27/598226427.db2.gz	DJXRQWBKOFHMTG-CYBMUJFWSA-N	-1	0	278.312	0.473	20	30		CCEDRM
C#CCO[N-]C(=O)[C@@H](CS(C)(=O)=O)c1ccccc1	ZINC000855606978	612992387	/nfs/dbraw/zinc/99/23/87/612992387.db2.gz	UGOKJVFNGIXDHZ-LBPRGKRZSA-N	-1	0	281.333	0.496	20	30		CCEDRM
C#CC(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)[O-]	ZINC000019440946	612945724	/nfs/dbraw/zinc/94/57/24/612945724.db2.gz	ADMHQDMFRJQDGB-GFCCVEGCSA-N	-1	0	256.261	0.913	20	30		CCEDRM
C#CC(C)(C)NC(=O)CO[C@H]1CCCN(C(=O)[O-])C1	ZINC000823441144	612945865	/nfs/dbraw/zinc/94/58/65/612945865.db2.gz	VKJNMVITTDDHTD-JTQLQIEISA-N	-1	0	268.313	0.673	20	30		CCEDRM
CN(C(C)(C)C(=O)[O-])S(=O)(=O)c1ccc(C#N)nc1	ZINC000228697470	599867830	/nfs/dbraw/zinc/86/78/30/599867830.db2.gz	NSCBZNNBHJQORS-UHFFFAOYSA-N	-1	0	283.309	0.437	20	30		CCEDRM
N#Cc1ccccc1OCC(=O)N1CCO[C@@H](C(=O)[O-])C1	ZINC000049864823	599948172	/nfs/dbraw/zinc/94/81/72/599948172.db2.gz	OSFCWQFRTJOJGF-GFCCVEGCSA-N	-1	0	290.275	0.249	20	30		CCEDRM
C#CCN1CCN(C(=O)c2cccc(C(=O)[O-])c2)CC1	ZINC000383707114	600086444	/nfs/dbraw/zinc/08/64/44/600086444.db2.gz	GXCVMCLPKQYJQG-UHFFFAOYSA-N	-1	0	272.304	0.776	20	30		CCEDRM
C#CCSCC(=O)N1CCC[C@@H](c2n[nH]c(=O)[n-]2)C1	ZINC000897677340	613009502	/nfs/dbraw/zinc/00/95/02/613009502.db2.gz	MIESSGQNPXAHAO-SECBINFHSA-N	-1	0	280.353	0.583	20	30		CCEDRM
N#Cc1c(CN2C[C@H](O)C[C@H]2C(=O)[O-])cn2ccccc12	ZINC000229089234	600141207	/nfs/dbraw/zinc/14/12/07/600141207.db2.gz	HCISQLAAFJPINR-RISCZKNCSA-N	-1	0	285.303	0.831	20	30		CCEDRM
C#CCN(CC)S(=O)(=O)c1n[nH]c(C)c1C(=O)[O-]	ZINC000164455537	600340765	/nfs/dbraw/zinc/34/07/65/600340765.db2.gz	SEXGKLDIIRWKAH-UHFFFAOYSA-N	-1	0	271.298	0.060	20	30		CCEDRM
C#CCN1CCN(C(=O)c2cccc(C(=O)[O-])n2)CC1	ZINC000383615806	600592263	/nfs/dbraw/zinc/59/22/63/600592263.db2.gz	BGWBZZGPKLXQJU-UHFFFAOYSA-N	-1	0	273.292	0.171	20	30		CCEDRM
C#CCCNS(=O)(=O)c1ccc(OCC(=O)[O-])cc1	ZINC000070246305	600652186	/nfs/dbraw/zinc/65/21/86/600652186.db2.gz	QOIXXNPSBKKYQV-UHFFFAOYSA-N	-1	0	283.305	0.452	20	30		CCEDRM
Cn1cc(C#N)c(NC(=O)N2CC[C@H](C(=O)[O-])C2)n1	ZINC000819063898	601137621	/nfs/dbraw/zinc/13/76/21/601137621.db2.gz	UTXJPWNLZPEGLB-ZETCQYMHSA-N	-1	0	263.257	0.230	20	30		CCEDRM
N#CCN(CCC(=O)Nc1cccc(C#N)c1)CC(=O)[O-]	ZINC000833067683	601226270	/nfs/dbraw/zinc/22/62/70/601226270.db2.gz	YMWIUFACLFPXSO-UHFFFAOYSA-N	-1	0	286.291	0.797	20	30		CCEDRM
C[C@H]1CCCN(C(=O)CN(CC#N)CC(=O)[O-])C1	ZINC000828258851	601241948	/nfs/dbraw/zinc/24/19/48/601241948.db2.gz	UOSXTJFHJMQFKY-JTQLQIEISA-N	-1	0	253.302	0.155	20	30		CCEDRM
N#CCN(CC(=O)[O-])C[C@H](O)COCc1ccccc1F	ZINC000833066927	601242333	/nfs/dbraw/zinc/24/23/33/601242333.db2.gz	LUXVZDZMBKDWRI-LBPRGKRZSA-N	-1	0	296.298	0.613	20	30		CCEDRM
N#Cc1ccc(C(=O)Nc2n[nH]c(CC(=O)[O-])n2)s1	ZINC000833071301	601285816	/nfs/dbraw/zinc/28/58/16/601285816.db2.gz	FKKDLYXHQPVURV-UHFFFAOYSA-N	-1	0	277.265	0.617	20	30		CCEDRM
CS(=O)(=O)CC(=O)O[C@@H](C(=O)[O-])c1cccc(C#N)c1	ZINC000832664479	601350309	/nfs/dbraw/zinc/35/03/09/601350309.db2.gz	BKLALTJJUHOFSB-LLVKDONJSA-N	-1	0	297.288	0.272	20	30		CCEDRM
C#CCN(CC#C)S(=O)(=O)Cc1ccc(C(=O)[O-])cc1	ZINC000688524873	601386991	/nfs/dbraw/zinc/38/69/91/601386991.db2.gz	BNHVIQIMJIGEQS-UHFFFAOYSA-N	-1	0	291.328	0.783	20	30		CCEDRM
C#CCN(CC#C)S(=O)(=O)c1ccsc1C(=O)[O-]	ZINC000688513167	601387056	/nfs/dbraw/zinc/38/70/56/601387056.db2.gz	KQLLWFJDHVEYOR-UHFFFAOYSA-N	-1	0	283.330	0.703	20	30		CCEDRM
C[C@](C#N)(NC(=O)CN(CC(=O)[O-])C1CC1)C1CC1	ZINC000825967405	601461794	/nfs/dbraw/zinc/46/17/94/601461794.db2.gz	WDKGAFIOQYOWII-CYBMUJFWSA-N	-1	0	265.313	0.344	20	30		CCEDRM
C=C(C)CN(CC)C(=O)CN(CC(=O)[O-])C1CC1	ZINC000037598178	601463806	/nfs/dbraw/zinc/46/38/06/601463806.db2.gz	ZNWSXGQDIANGPE-UHFFFAOYSA-N	-1	0	254.330	0.960	20	30		CCEDRM
N#Cc1c[nH]c(C(=O)N2CC[C@](F)(C(=O)[O-])C2)c1	ZINC000833068306	601525511	/nfs/dbraw/zinc/52/55/11/601525511.db2.gz	UFCNTWQKSGLVBQ-LLVKDONJSA-N	-1	0	251.217	0.525	20	30		CCEDRM
N#Cc1ccc(NC(=O)CN2CC[C@@](F)(C(=O)[O-])C2)cc1	ZINC000833073279	601555278	/nfs/dbraw/zinc/55/52/78/601555278.db2.gz	KNDRDFAVEQPGQT-AWEZNQCLSA-N	-1	0	291.282	0.995	20	30		CCEDRM
N#Cc1csc(C(=O)Nc2n[nH]c(CC(=O)[O-])n2)c1	ZINC000833079596	601689575	/nfs/dbraw/zinc/68/95/75/601689575.db2.gz	YCFDGKSDKRMPJT-UHFFFAOYSA-N	-1	0	277.265	0.617	20	30		CCEDRM
COC[C@@](C)(NC(=O)C#Cc1ccccc1)C(=O)[O-]	ZINC000328553432	601691107	/nfs/dbraw/zinc/69/11/07/601691107.db2.gz	WNSJJYQDJUJVLF-CQSZACIVSA-N	-1	0	261.277	0.644	20	30		CCEDRM
CCN(C[C@@H](C)C#N)S(=O)(=O)C[C@H](C)C(=O)[O-]	ZINC000829642895	601781336	/nfs/dbraw/zinc/78/13/36/601781336.db2.gz	PCKWDOVKMQVVEJ-IUCAKERBSA-N	-1	0	262.331	0.518	20	30		CCEDRM
N#Cc1ccc([C@H](O)CN2CCOC[C@H]2C(=O)[O-])cc1	ZINC000833072586	602048635	/nfs/dbraw/zinc/04/86/35/602048635.db2.gz	OGAKRBKYDBLRFZ-QWHCGFSZSA-N	-1	0	276.292	0.377	20	30		CCEDRM
N#CCc1ccnc(NC(=O)Cn2cc(C(=O)[O-])nn2)c1	ZINC000833069318	602108033	/nfs/dbraw/zinc/10/80/33/602108033.db2.gz	RRPQIBWIORXEFK-UHFFFAOYSA-N	-1	0	286.251	0.076	20	30		CCEDRM
C#CCSCCNC(=O)N[C@@]1(C(=O)[O-])CCSC1	ZINC000909052153	613017454	/nfs/dbraw/zinc/01/74/54/613017454.db2.gz	MCCHGQMTDXPUMH-NSHDSACASA-N	-1	0	288.394	0.612	20	30		CCEDRM
CN(CCNC(=O)CNc1ccc(C#N)cc1)C(=O)[O-]	ZINC000739691509	602339181	/nfs/dbraw/zinc/33/91/81/602339181.db2.gz	IGDVVDPTAKRSSV-UHFFFAOYSA-N	-1	0	276.296	0.696	20	30		CCEDRM
C[C@H](CNC(=O)C#Cc1ccc2c(c1)OCO2)C(=O)[O-]	ZINC000827461041	602350676	/nfs/dbraw/zinc/35/06/76/602350676.db2.gz	KQRAMZWXYXABJH-SECBINFHSA-N	-1	0	275.260	0.604	20	30		CCEDRM
Cc1ncc(CO)c(/C=N/[C@H]2CCN(C(=O)[O-])C2)c1O	ZINC000740232599	602457507	/nfs/dbraw/zinc/45/75/07/602457507.db2.gz	QHBIZISGBDYOPJ-XSFFOXFNSA-N	-1	0	279.296	0.759	20	30		CCEDRM
C#CCNC(=O)[C@H](C)OC(=O)CC1(NC(=O)[O-])CCC1	ZINC000823457335	612950652	/nfs/dbraw/zinc/95/06/52/612950652.db2.gz	YEBJFECDBZKPKH-VIFPVBQESA-N	-1	0	282.296	0.248	20	30		CCEDRM
CC(C)[C@](C)(CNC(=O)[O-])NS(=O)(=O)CCCC#N	ZINC000738768162	603083549	/nfs/dbraw/zinc/08/35/49/603083549.db2.gz	BREKXVPECVSXDF-NSHDSACASA-N	-1	0	291.373	0.892	20	30		CCEDRM
N#Cc1cc(S(N)(=O)=O)ccc1NCCCNC(=O)[O-]	ZINC000831118280	603187164	/nfs/dbraw/zinc/18/71/64/603187164.db2.gz	SMRKSLQBIGNCDJ-UHFFFAOYSA-N	-1	0	298.324	0.275	20	30		CCEDRM
C#CC[C@@H](CO)NC(=O)c1cccc(CC(=O)[O-])c1	ZINC000911395177	613029346	/nfs/dbraw/zinc/02/93/46/613029346.db2.gz	NHTVKMWGGVDMOP-LBPRGKRZSA-N	-1	0	261.277	0.428	20	30		CCEDRM
N#Cc1ccc(C(=O)N2CCN(C(=O)[O-])C[C@@H]2C#N)cc1	ZINC000831123024	603600938	/nfs/dbraw/zinc/60/09/38/603600938.db2.gz	ZDOXACATNQHIKV-LBPRGKRZSA-N	-1	0	284.275	0.886	20	30		CCEDRM
N#CCN1CCN(C(=O)C2(CNC(=O)[O-])CCCC2)CC1	ZINC000831102213	603679829	/nfs/dbraw/zinc/67/98/29/603679829.db2.gz	CFEAEXJCRNRXCU-UHFFFAOYSA-N	-1	0	294.355	0.482	20	30		CCEDRM
Cc1cnc(CN2CCN(C(=O)[O-])C[C@@H]2C#N)cn1	ZINC000830631001	603725344	/nfs/dbraw/zinc/72/53/44/603725344.db2.gz	XQQQNBKWZCNWDF-NSHDSACASA-N	-1	0	261.285	0.473	20	30		CCEDRM
N#CCN1CCC[C@@H](CNC(=O)[C@H]2CCN(C(=O)[O-])C2)C1	ZINC000831102769	603735361	/nfs/dbraw/zinc/73/53/61/603735361.db2.gz	UHQGEPMVXDRUPW-RYUDHWBXSA-N	-1	0	294.355	0.338	20	30		CCEDRM
N#Cc1c[nH]c(C(=O)N2CCC(NC(=O)[O-])CC2)c1	ZINC000831115070	603847193	/nfs/dbraw/zinc/84/71/93/603847193.db2.gz	YSKJWAYXNDBYRN-UHFFFAOYSA-N	-1	0	262.269	0.759	20	30		CCEDRM
N#Cc1c[nH]c(C(=O)N2CC[C@@H](CNC(=O)[O-])C2)c1	ZINC000831114770	603872415	/nfs/dbraw/zinc/87/24/15/603872415.db2.gz	UTDIWVJYIHNIOF-QMMMGPOBSA-N	-1	0	262.269	0.616	20	30		CCEDRM
N#C[C@@H]1CCC[C@@H]1NC(=O)[C@@]1(F)CCN(C(=O)[O-])C1	ZINC000831075760	603959097	/nfs/dbraw/zinc/95/90/97/603959097.db2.gz	CWTTVSFQJGAWKM-HOTUBEGUSA-N	-1	0	269.276	0.887	20	30		CCEDRM
C[C@H](CC(=O)OCC(=O)N(C)C(C)(C)C#N)NC(=O)[O-]	ZINC000824722339	603968694	/nfs/dbraw/zinc/96/86/94/603968694.db2.gz	WUJAPSPKDQVTFU-MRVPVSSYSA-N	-1	0	285.300	0.336	20	30		CCEDRM
C[C@H](C(=O)N1CCN(C(=O)[O-])C[C@H]1C#N)c1cccnc1	ZINC000823670306	604070576	/nfs/dbraw/zinc/07/05/76/604070576.db2.gz	UCUQBDLWUZBNFZ-CMPLNLGQSA-N	-1	0	288.307	0.899	20	30		CCEDRM
N#C[C@@H]1CN(C(=O)[O-])CCN1C(=O)[C@@H]1C[C@H]1C1CC1	ZINC000831076159	604071467	/nfs/dbraw/zinc/07/14/67/604071467.db2.gz	GWERNTVWBIOKAR-OUAUKWLOSA-N	-1	0	263.297	0.747	20	30		CCEDRM
Cc1cc(C(=O)N2CCN(C(=O)[O-])C[C@H]2C#N)n(C)n1	ZINC000829930308	604081625	/nfs/dbraw/zinc/08/16/25/604081625.db2.gz	OJRSMUPJSVZFPS-SECBINFHSA-N	-1	0	277.284	0.057	20	30		CCEDRM
N#C[C@@H]1CN(C(=O)[O-])CCN1C(=O)[C@@H]1CC12CCOCC2	ZINC000831075670	604083397	/nfs/dbraw/zinc/08/33/97/604083397.db2.gz	BRLSEUPLSCEEFZ-MNOVXSKESA-N	-1	0	293.323	0.517	20	30		CCEDRM
Cc1cccc(NC(=O)C(=O)NCCNC(=O)[O-])c1C#N	ZINC000830511979	604125506	/nfs/dbraw/zinc/12/55/06/604125506.db2.gz	OLTFRJSWLDXZHO-UHFFFAOYSA-N	-1	0	290.279	0.189	20	30		CCEDRM
Cc1noc(C)c1C(=O)N1CCN(C(=O)[O-])C[C@@H]1C#N	ZINC000830903446	604129392	/nfs/dbraw/zinc/12/93/92/604129392.db2.gz	BFQBAONHHHFMOF-VIFPVBQESA-N	-1	0	278.268	0.619	20	30		CCEDRM
N#C[C@@H]1CN(C(=O)[O-])CCN1C(=O)c1ccc(O)cc1O	ZINC000831087401	604155734	/nfs/dbraw/zinc/15/57/34/604155734.db2.gz	LMJOVCCASYHVFN-MRVPVSSYSA-N	-1	0	291.263	0.426	20	30		CCEDRM
N#C[C@H](C(=O)[C@H]1CC[C@@H](NC(=O)[O-])C1)C(=O)N1CCCC1	ZINC000831065952	604220278	/nfs/dbraw/zinc/22/02/78/604220278.db2.gz	UKBVGOLDTVDLKS-HBNTYKKESA-N	-1	0	293.323	0.754	20	30		CCEDRM
N#C[C@H](C(=O)NC1CC1)C(=O)[C@@H]1CC[C@H](NC(=O)[O-])C1	ZINC000831063981	604221843	/nfs/dbraw/zinc/22/18/43/604221843.db2.gz	AIQQCHYDQZMSMS-JEZHCXPESA-N	-1	0	279.296	0.410	20	30		CCEDRM
N#C[C@H](C(=O)CC1(NC(=O)[O-])CCC1)C(=O)N1CCCC1	ZINC000831066439	604252204	/nfs/dbraw/zinc/25/22/04/604252204.db2.gz	WZRQJUHOQMLJPZ-SNVBAGLBSA-N	-1	0	293.323	0.898	20	30		CCEDRM
N#C[C@H]1CN(C(=O)[O-])CCN1C(=O)[C@H]1CC12CCC2	ZINC000831076898	604373369	/nfs/dbraw/zinc/37/33/69/604373369.db2.gz	UKJVOLNMINHVFO-VHSXEESVSA-N	-1	0	263.297	0.891	20	30		CCEDRM
Cc1cc(NC(=O)Cn2cnc(C#N)n2)sc1C(=O)[O-]	ZINC000832894434	604376785	/nfs/dbraw/zinc/37/67/85/604376785.db2.gz	JURTVTVDFBLKAN-UHFFFAOYSA-N	-1	0	291.292	0.857	20	30		CCEDRM
C[C@@H](NC(=O)[O-])[C@@H]1CN(c2nccnc2C#N)CCO1	ZINC000825372747	604451957	/nfs/dbraw/zinc/45/19/57/604451957.db2.gz	QZIKZQOXCOIURT-SCZZXKLOSA-N	-1	0	277.284	0.210	20	30		CCEDRM
N#CCc1ccnc(NC(=O)[C@H]2COCCN2C(=O)[O-])c1	ZINC000831109367	604524040	/nfs/dbraw/zinc/52/40/40/604524040.db2.gz	GYMGLWRTPYSBIZ-SNVBAGLBSA-N	-1	0	290.279	0.465	20	30		CCEDRM
C[C@@H]1CN([C@H](C(=O)[O-])c2cccc(C#N)c2)C[C@H]1O	ZINC000833621781	604569213	/nfs/dbraw/zinc/56/92/13/604569213.db2.gz	JTEZLLYINHPMGV-WQAKAFBOSA-N	-1	0	260.293	0.997	20	30		CCEDRM
C[C@@H](NC(=O)[O-])[C@H]1CN(C(=O)C(C)(C)C#N)CCO1	ZINC000825295740	604701397	/nfs/dbraw/zinc/70/13/97/604701397.db2.gz	WMMCLGZBGZWQSA-RKDXNWHRSA-N	-1	0	269.301	0.420	20	30		CCEDRM
N#CCCCS(=O)(=O)N[C@]1(C(=O)[O-])CCSC1	ZINC000833760428	604703776	/nfs/dbraw/zinc/70/37/76/604703776.db2.gz	RPVJEXCFRRUMJP-SECBINFHSA-N	-1	0	278.355	0.170	20	30		CCEDRM
O=C([O-])NCCCNC(=O)C#Cc1ccc2c(c1)OCO2	ZINC000832613887	604856545	/nfs/dbraw/zinc/85/65/45/604856545.db2.gz	SMHROSXTQIFYEB-UHFFFAOYSA-N	-1	0	290.275	0.541	20	30		CCEDRM
N#C[C@H]1CN(C(=O)[O-])CCN1C(=O)[C@H]1CCSC1	ZINC000831076667	604868464	/nfs/dbraw/zinc/86/84/64/604868464.db2.gz	QRJUEJMRIHTQLI-IUCAKERBSA-N	-1	0	269.326	0.454	20	30		CCEDRM
C[C@H](NC(=O)[O-])C(=O)OCC(=O)Nc1cccc(C#N)c1	ZINC000833740711	604961116	/nfs/dbraw/zinc/96/11/16/604961116.db2.gz	RHSNQBNWOHFHIN-QMMMGPOBSA-N	-1	0	291.263	0.696	20	30		CCEDRM
CC#CCNC(=O)NCC1(C(=O)[O-])CCOCC1	ZINC000161154650	605089957	/nfs/dbraw/zinc/08/99/57/605089957.db2.gz	MQMCFLMTLIXVCL-UHFFFAOYSA-N	-1	0	254.286	0.190	20	30		CCEDRM
N#CCCN(CCC#N)CN1C[C@H](C(=O)[O-])CC1=O	ZINC000833760190	605169603	/nfs/dbraw/zinc/16/96/03/605169603.db2.gz	JVARCANSAPNTQF-SNVBAGLBSA-N	-1	0	264.285	0.006	20	30		CCEDRM
N#CCSCCCn1nnnc1CNC(=O)[O-]	ZINC000831109374	605180574	/nfs/dbraw/zinc/18/05/74/605180574.db2.gz	HEEJKGVBXMFNPU-UHFFFAOYSA-N	-1	0	256.291	0.088	20	30		CCEDRM
C[C@H](C#N)COC(=O)CN(C[C@H]1CCCO1)C(=O)[O-]	ZINC000823648890	605285419	/nfs/dbraw/zinc/28/54/19/605285419.db2.gz	YZQCUWSIOIFQJK-NXEZZACHSA-N	-1	0	270.285	0.848	20	30		CCEDRM
N#C[C@@H]1CN(C(=O)[O-])CCN1C(=O)c1ccc(F)cn1	ZINC000833966236	605334919	/nfs/dbraw/zinc/33/49/19/605334919.db2.gz	IQZBRSCACPGFFI-SECBINFHSA-N	-1	0	278.243	0.549	20	30		CCEDRM
N#CCCCNC(=O)NC1CCN(C(=O)[O-])CC1	ZINC000833969279	605380536	/nfs/dbraw/zinc/38/05/36/605380536.db2.gz	UJYRWEJFGDUVST-UHFFFAOYSA-N	-1	0	254.290	0.732	20	30		CCEDRM
N#CCCCCNC(=O)NC[C@H]1CCN(C(=O)[O-])C1	ZINC000833967617	605383420	/nfs/dbraw/zinc/38/34/20/605383420.db2.gz	GAVPECRCPXXANT-SNVBAGLBSA-N	-1	0	268.317	0.979	20	30		CCEDRM
C#CCOCCNS(=O)(=O)c1ccccc1C(=O)[O-]	ZINC000833366356	605420587	/nfs/dbraw/zinc/42/05/87/605420587.db2.gz	SOAPAZMJDOLTGX-UHFFFAOYSA-N	-1	0	283.305	0.313	20	30		CCEDRM
CC(C)(C)[C@H](C#N)NC(=O)c1cnc(C(=O)[O-])cn1	ZINC000833422676	605568259	/nfs/dbraw/zinc/56/82/59/605568259.db2.gz	GMTUBIAKDIVCBH-VIFPVBQESA-N	-1	0	262.269	0.843	20	30		CCEDRM
O=C([O-])N1CC(C(=O)NCC#Cc2ccccc2)C1	ZINC000834020731	605619053	/nfs/dbraw/zinc/61/90/53/605619053.db2.gz	XKNOZVVCMSZTFL-UHFFFAOYSA-N	-1	0	258.277	0.764	20	30		CCEDRM
Cc1onc(CC(=O)N2CCC[C@H]2CNC(=O)[O-])c1C#N	ZINC000833935729	605680219	/nfs/dbraw/zinc/68/02/19/605680219.db2.gz	IGAPEJVGFFTHFM-VIFPVBQESA-N	-1	0	292.295	0.656	20	30		CCEDRM
Cc1onc(CC(=O)N2CC[C@@H](NC(=O)[O-])C2)c1C#N	ZINC000833935763	605697920	/nfs/dbraw/zinc/69/79/20/605697920.db2.gz	IWQDZUBEBJQJMA-MRVPVSSYSA-N	-1	0	278.268	0.266	20	30		CCEDRM
Cc1onc(CC(=O)N2CCN(C(=O)[O-])C[C@@H]2C)c1C#N	ZINC000833934770	605699152	/nfs/dbraw/zinc/69/91/52/605699152.db2.gz	BJNGPEFOBNXXBL-QMMMGPOBSA-N	-1	0	292.295	0.608	20	30		CCEDRM
Cc1onc(CC(=O)N(C)CCN(C)C(=O)[O-])c1C#N	ZINC000833934839	605699943	/nfs/dbraw/zinc/69/99/43/605699943.db2.gz	CRPNZWSYGHWXST-UHFFFAOYSA-N	-1	0	280.284	0.465	20	30		CCEDRM
N#C[C@H](C(=O)CCCCNC(=O)[O-])C(=O)NC1CC1	ZINC000833961107	605909419	/nfs/dbraw/zinc/90/94/19/605909419.db2.gz	OHPFQOKSZIIURG-SECBINFHSA-N	-1	0	267.285	0.412	20	30		CCEDRM
N#CCC1CCN(C(=O)[C@@H]2C[C@@H](O)CN2C(=O)[O-])CC1	ZINC000833967858	605932526	/nfs/dbraw/zinc/93/25/26/605932526.db2.gz	HREFRLATUOREQP-MNOVXSKESA-N	-1	0	281.312	0.252	20	30		CCEDRM
N#C[C@H](NC(=O)[C@H](CC(F)F)NC(=O)[O-])C1CC1	ZINC000833960159	606041773	/nfs/dbraw/zinc/04/17/73/606041773.db2.gz	GNGGXQCYXMPJOU-BQBZGAKWSA-N	-1	0	261.228	0.696	20	30		CCEDRM
Cc1cccnc1C(=O)Nc1nc(C#N)c(-c2nn[nH]n2)[n-]1	ZINC000822369850	606129044	/nfs/dbraw/zinc/12/90/44/606129044.db2.gz	NPEQQKYFFANKQH-UHFFFAOYSA-N	-1	0	295.266	0.417	20	30		CCEDRM
C#CCCS(=O)(=O)[N-]C(=O)[C@@H](CC(C)C)NC(C)=O	ZINC000860721721	613052910	/nfs/dbraw/zinc/05/29/10/613052910.db2.gz	KPPOFBVRIWWHPD-LLVKDONJSA-N	-1	0	288.369	0.007	20	30		CCEDRM
C#CCCS(=O)(=O)[N-]C(=O)CSCC(F)(F)F	ZINC000810781613	613052921	/nfs/dbraw/zinc/05/29/21/613052921.db2.gz	FQMOKIACHZXYQK-UHFFFAOYSA-N	-1	0	289.300	0.751	20	30		CCEDRM
C#CCCS(=O)(=O)[N-]C(=O)[C@@H](CC(C)C)OC	ZINC000842347203	613052933	/nfs/dbraw/zinc/05/29/33/613052933.db2.gz	PDXWUWOEVPFGNI-SNVBAGLBSA-N	-1	0	261.343	0.517	20	30		CCEDRM
C#CCCS(=O)(=O)[N-]C(=O)CC[C@@H]1CCCCO1	ZINC000788070754	613052695	/nfs/dbraw/zinc/05/26/95/613052695.db2.gz	KTAMLBQFWGAJFN-NSHDSACASA-N	-1	0	273.354	0.805	20	30		CCEDRM
C#CCC[C@@H](O)CNC(=O)c1cc([O-])cc([N+](=O)[O-])c1	ZINC000799084205	613058595	/nfs/dbraw/zinc/05/85/95/613058595.db2.gz	WGNINPNRPMXPJS-LLVKDONJSA-N	-1	0	278.264	0.805	20	30		CCEDRM
N#Cc1cccc(OCCCn2cnc(-c3nnn[n-]3)n2)c1	ZINC000822837788	606867261	/nfs/dbraw/zinc/86/72/61/606867261.db2.gz	SUJKZIYSJVVADY-UHFFFAOYSA-N	-1	0	296.294	0.799	20	30		CCEDRM
C#CC[C@H](NC(=O)[C@@H](OCC)[C@@H]1CCOC1)C(=O)[O-]	ZINC000910049211	613068752	/nfs/dbraw/zinc/06/87/52/613068752.db2.gz	TXNBHWNMMOVWIW-VWYCJHECSA-N	-1	0	269.297	0.021	20	30		CCEDRM
C#C[C@@H](NC(=O)NCCC(C)(C)C(=O)[O-])[C@H]1CCCO1	ZINC000818623507	613095564	/nfs/dbraw/zinc/09/55/64/613095564.db2.gz	GUEIDFKCKPJVCR-GHMZBOCLSA-N	-1	0	282.340	0.967	20	30		CCEDRM
C#C[C@@H]1CCCCN1C(=O)CSc1n[nH]c(=O)[n-]1	ZINC000890653973	613101462	/nfs/dbraw/zinc/10/14/62/613101462.db2.gz	WLWPXJVUEASYMH-MRVPVSSYSA-N	-1	0	266.326	0.617	20	30		CCEDRM
C#CCN(CC)C(=O)C[C@H]1CSCCN1C(=O)[O-]	ZINC000823450690	613105578	/nfs/dbraw/zinc/10/55/78/613105578.db2.gz	GKIMQUZWKVTOHK-JTQLQIEISA-N	-1	0	270.354	0.954	20	30		CCEDRM
C=C(Cl)C[C@H](NS(=O)(=O)C[C@@H](C)COC)C(=O)[O-]	ZINC000871995582	613390921	/nfs/dbraw/zinc/39/09/21/613390921.db2.gz	BSYARGVRRSEJBH-CBAPKCEASA-N	-1	0	299.776	0.784	20	30		CCEDRM
C#CCC(C)(C)C(=O)[N-]S(=O)(=O)C[C@H](C)OC	ZINC000810722081	612965788	/nfs/dbraw/zinc/96/57/88/612965788.db2.gz	JXNSHIQYUYGWSW-VIFPVBQESA-N	-1	0	261.343	0.517	20	30		CCEDRM
C#CCC(C)(C)C(=O)[N-]S(=O)(=O)c1cnc(OC)nc1	ZINC000893773096	612965963	/nfs/dbraw/zinc/96/59/63/612965963.db2.gz	JWFRCJKXFPSJGU-UHFFFAOYSA-N	-1	0	297.336	0.340	20	30		CCEDRM
C#CCC(C)(C)C(=O)[N-]S(=O)(=O)c1cn(C)nc1C	ZINC000810880774	612966061	/nfs/dbraw/zinc/96/60/61/612966061.db2.gz	ROQNKGWNHISSFX-UHFFFAOYSA-N	-1	0	283.353	0.583	20	30		CCEDRM
CC(C)OC(=O)CNC(=O)[C@@](C)(C#N)CC(=O)[O-]	ZINC000820029812	613990920	/nfs/dbraw/zinc/99/09/20/613990920.db2.gz	OTFNDLNBUVMZMB-LLVKDONJSA-N	-1	0	256.258	0.059	20	30		CCEDRM
C#CCOCCC(=O)NC1(C(=O)[O-])CCSCC1	ZINC000833364265	612979019	/nfs/dbraw/zinc/97/90/19/612979019.db2.gz	NALRVZMOVODONJ-UHFFFAOYSA-N	-1	0	271.338	0.493	20	30		CCEDRM
COc1ccc(C(=O)[N-]S(=O)(=O)CCC#N)cc1	ZINC000821582290	617231089	/nfs/dbraw/zinc/23/10/89/617231089.db2.gz	IYAZZXKXTYTJRY-UHFFFAOYSA-N	-1	0	268.294	0.668	20	30		CCEDRM
CS[C@H](CO)[C@H](C)NC(=O)[C@](C)(C#N)CC(=O)[O-]	ZINC000820900420	617276977	/nfs/dbraw/zinc/27/69/77/617276977.db2.gz	VFLSNZHEUXLZOU-RNSXUZJQSA-N	-1	0	274.342	0.220	20	30		CCEDRM
COc1ccc(NCC(=O)NCCC#N)c(C(=O)[O-])c1	ZINC000832413439	617271703	/nfs/dbraw/zinc/27/17/03/617271703.db2.gz	XMLVZQWKBCOAOM-UHFFFAOYSA-N	-1	0	277.280	0.835	20	30		CCEDRM
C[C@@H](C#N)CN(C)C(=O)CO[C@H]1CCCN(C(=O)[O-])C1	ZINC000823647782	617295589	/nfs/dbraw/zinc/29/55/89/617295589.db2.gz	NTNNLQPWCVBYNC-QWRGUYRKSA-N	-1	0	283.328	0.763	20	30		CCEDRM
C[C@@H](C#N)OC(=O)C[C@H]1CSCCN1C(=O)[O-]	ZINC000823648457	617296782	/nfs/dbraw/zinc/29/67/82/617296782.db2.gz	SQFMKGXWGGZCMV-YUMQZZPRSA-N	-1	0	258.299	0.927	20	30		CCEDRM
C#CC1(O)CN(S(=O)(=O)c2ccc(C(=O)[O-])c(C)c2)C1	ZINC000907129015	612961803	/nfs/dbraw/zinc/96/18/03/612961803.db2.gz	VEQGNNPVECTRRD-UHFFFAOYSA-N	-1	0	295.316	0.062	20	30		CCEDRM
C#CCCCC(=O)NC[C@@]1(C(=O)[O-])CCCOC1	ZINC000910306222	612975055	/nfs/dbraw/zinc/97/50/55/612975055.db2.gz	OFGRFOWLPZIEGE-ZDUSSCGKSA-N	-1	0	253.298	0.788	20	30		CCEDRM
C#CCCCCC(=O)N1CCC[C@H](O)[C@@H]1C(=O)[O-]	ZINC000911634374	612975478	/nfs/dbraw/zinc/97/54/78/612975478.db2.gz	IARNZSSHSIDIDN-CMPLNLGQSA-N	-1	0	253.298	0.617	20	30		CCEDRM
C#CCCCCNC(=O)C[C@H]1CN(C(=O)[O-])CCO1	ZINC000823441246	612977457	/nfs/dbraw/zinc/97/74/57/612977457.db2.gz	YNWDFVDBJWUJII-NSHDSACASA-N	-1	0	268.313	0.675	20	30		CCEDRM
C#CCOCCC(=O)[N-]S(=O)(=O)c1ccsc1	ZINC000119019378	612980215	/nfs/dbraw/zinc/98/02/15/612980215.db2.gz	JKZOFXKQTMQKDS-UHFFFAOYSA-N	-1	0	273.335	0.593	20	30		CCEDRM
C#CCCCNC(=O)C(=O)[N-]OCc1ccccc1OC	ZINC000806918169	612980360	/nfs/dbraw/zinc/98/03/60/612980360.db2.gz	UUAQDNXHIGJSSV-UHFFFAOYSA-N	-1	0	290.319	0.773	20	30		CCEDRM
C#CCCCNC(=O)N1CCN(C(=O)[O-])C[C@H]1C	ZINC000823444372	612981465	/nfs/dbraw/zinc/98/14/65/612981465.db2.gz	HIVRVGFQRSXLMR-SNVBAGLBSA-N	-1	0	253.302	0.794	20	30		CCEDRM
C#CCCCNC(=O)N[C@H](C[C@@H]1CCCO1)C(=O)[O-]	ZINC000909026754	612982256	/nfs/dbraw/zinc/98/22/56/612982256.db2.gz	AQDQTZOBBOGRBJ-WDEREUQCSA-N	-1	0	268.313	0.721	20	30		CCEDRM
C#CCOCCNC(=O)NC[C@H](C(=O)[O-])C1CCC1	ZINC000854233977	612987354	/nfs/dbraw/zinc/98/73/54/612987354.db2.gz	RRJBADTWTVLMDX-NSHDSACASA-N	-1	0	268.313	0.436	20	30		CCEDRM
C#CCO[N-]C(=O)CNC(=O)Cc1cccc(F)c1	ZINC000812784978	612992073	/nfs/dbraw/zinc/99/20/73/612992073.db2.gz	BMEDQBJXLBXILX-UHFFFAOYSA-N	-1	0	264.256	0.165	20	30		CCEDRM
C#CCO[N-]C(=O)CNC(=O)c1cc(-c2ccccc2)on1	ZINC000812783223	612992090	/nfs/dbraw/zinc/99/20/90/612992090.db2.gz	DPTHWSPSMAUVQX-UHFFFAOYSA-N	-1	0	299.286	0.752	20	30		CCEDRM
C#CCO[N-]C(=O)[C@@H](C#N)Cc1ccc(C#N)cc1	ZINC000812787591	612992367	/nfs/dbraw/zinc/99/23/67/612992367.db2.gz	ZJVDWLMGRNQCTG-CYBMUJFWSA-N	-1	0	253.261	0.922	20	30		CCEDRM
C#CCO[N-]C(=O)[C@@H](Oc1ccccc1)C(C)(C)O	ZINC000855606252	612992402	/nfs/dbraw/zinc/99/24/02/612992402.db2.gz	FIOPZKAQLFQDBX-GFCCVEGCSA-N	-1	0	263.293	0.886	20	30		CCEDRM
C#CCO[N-]C(=O)[C@@H]1CCCN1CC(F)(F)F	ZINC000812786747	612992690	/nfs/dbraw/zinc/99/26/90/612992690.db2.gz	QRCYPAJDDHBKLC-QMMMGPOBSA-N	-1	0	250.220	0.694	20	30		CCEDRM
C#CCO[N-]C(=O)[C@@]12CC[C@@](C)(C(=O)O1)C2(C)C	ZINC000862183998	612992743	/nfs/dbraw/zinc/99/27/43/612992743.db2.gz	STLYFWALRCOLCL-QWHCGFSZSA-N	-1	0	251.282	0.789	20	30		CCEDRM
C#CCO[C@@H](C)C(=O)N(CCC(=O)[O-])CC(C)C	ZINC000908854620	612994003	/nfs/dbraw/zinc/99/40/03/612994003.db2.gz	LIJFQBYQQJMJPQ-NSHDSACASA-N	-1	0	255.314	0.984	20	30		CCEDRM
C#CCO[C@@H](C)C(=O)N1CC[C@H]2[C@@H](C1)[C@H]2C(=O)[O-]	ZINC000910852663	612995319	/nfs/dbraw/zinc/99/53/19/612995319.db2.gz	VDVSEYKMBFHZJB-MMWGEVLESA-N	-1	0	251.282	0.204	20	30		CCEDRM
C#CCO[C@H](C)C(=O)N(CC(=O)[O-])Cc1ccccc1O	ZINC000911487041	612998953	/nfs/dbraw/zinc/99/89/53/612998953.db2.gz	AYHUCHJGSDIIIQ-LLVKDONJSA-N	-1	0	291.303	0.844	20	30		CCEDRM
C#CCO[C@H](C)C(=O)NC1(CC(=O)[O-])CCOCC1	ZINC000909050976	613001000	/nfs/dbraw/zinc/00/10/00/613001000.db2.gz	SEBCZPZCNZUJKD-SNVBAGLBSA-N	-1	0	269.297	0.165	20	30		CCEDRM
C#CCO[C@H](C)C(=O)N1Cc2cc(C(=O)[O-])nn2C[C@H]1C	ZINC000908441054	613001031	/nfs/dbraw/zinc/00/10/31/613001031.db2.gz	YHWMZNJHBHDOTP-NXEZZACHSA-N	-1	0	291.307	0.350	20	30		CCEDRM
C#CCO[C@H](C)C(=O)N[C@H]1CCC[C@@]1(C)C(=O)[O-]	ZINC000909993553	613003401	/nfs/dbraw/zinc/00/34/01/613003401.db2.gz	OFBMPNFNWXEVIX-GBIKHYSHSA-N	-1	0	253.298	0.784	20	30		CCEDRM
C#CCO[C@H](C)C(=O)Nc1c(C)nn(CCC(=O)[O-])c1C	ZINC000910303367	613003661	/nfs/dbraw/zinc/00/36/61/613003661.db2.gz	PWKVBLYHLNAPIN-LLVKDONJSA-N	-1	0	293.323	0.951	20	30		CCEDRM
C#CCOc1ccc(C(=O)[N-]S(=O)(=O)CCC#N)cc1	ZINC000821582342	613005390	/nfs/dbraw/zinc/00/53/90/613005390.db2.gz	KHTUZCOJPZVSST-UHFFFAOYSA-N	-1	0	292.316	0.672	20	30		CCEDRM
C#CCOc1ccccc1CN1CCO[C@@H](C(=O)[O-])C1	ZINC000819706220	613007836	/nfs/dbraw/zinc/00/78/36/613007836.db2.gz	RDPGQBAKGGFTER-CQSZACIVSA-N	-1	0	275.304	0.984	20	30		CCEDRM
C#CCCN1CCN(C(=O)[C@H](CC(C)C)NC(=O)[O-])CC1	ZINC000823445345	613010126	/nfs/dbraw/zinc/01/01/26/613010126.db2.gz	XVZOXGJFEJVPFI-ZDUSSCGKSA-N	-1	0	295.383	0.836	20	30		CCEDRM
C#CC[C@@H](NC(=O)CC1CCN(OC)CC1)C(=O)[O-]	ZINC000910051758	613039560	/nfs/dbraw/zinc/03/95/60/613039560.db2.gz	ZXMIJVSERBAVKJ-LLVKDONJSA-N	-1	0	268.313	0.243	20	30		CCEDRM
C#CC[C@@H](NC(=O)COc1cccc(C(C)=O)c1)C(=O)[O-]	ZINC000910051951	613040063	/nfs/dbraw/zinc/04/00/63/613040063.db2.gz	JTFMOFNUSURIMV-CYBMUJFWSA-N	-1	0	289.287	0.861	20	30		CCEDRM
C#CC[C@@H](NC(=O)C[C@H](OC)C(F)(F)F)C(=O)[O-]	ZINC000910046558	613040109	/nfs/dbraw/zinc/04/01/09/613040109.db2.gz	SDAVKRSUHFHDHA-RQJHMYQMSA-N	-1	0	267.203	0.547	20	30		CCEDRM
C#CC[C@@H](NC(=O)[C@H](C)Oc1cccc(CO)c1)C(=O)[O-]	ZINC000910048262	613041053	/nfs/dbraw/zinc/04/10/53/613041053.db2.gz	HNPOIYKRKDHSSA-GXFFZTMASA-N	-1	0	291.303	0.539	20	30		CCEDRM
C#CC[C@@H](NC(=O)[C@H]1CCCN1c1nccs1)C(=O)[O-]	ZINC000910051748	613041325	/nfs/dbraw/zinc/04/13/25/613041325.db2.gz	ZUWUPSREENUCIF-NXEZZACHSA-N	-1	0	293.348	0.705	20	30		CCEDRM
C#CC[C@@H](NC(=O)c1c(CC)nn(C)c1Cl)C(=O)[O-]	ZINC000910046565	613041467	/nfs/dbraw/zinc/04/14/67/613041467.db2.gz	SGUOWLFSPXKHTC-MRVPVSSYSA-N	-1	0	283.715	0.842	20	30		CCEDRM
C#CC[C@@H](NC(=O)c1c(C)nsc1C)C(=O)[O-]	ZINC000910051695	613041634	/nfs/dbraw/zinc/04/16/34/613041634.db2.gz	YQVMGQKTZFFSJF-MRVPVSSYSA-N	-1	0	252.295	0.966	20	30		CCEDRM
C#CC[C@@H](NC(=O)c1ccc(C)nc1OCC)C(=O)[O-]	ZINC000910050690	613041732	/nfs/dbraw/zinc/04/17/32/613041732.db2.gz	NRXDKSJHBDWDDW-LLVKDONJSA-N	-1	0	276.292	0.995	20	30		CCEDRM
C#CC[C@@H](NC(=O)c1[nH]cnc1C(C)(C)C)C(=O)[O-]	ZINC000910050889	613042404	/nfs/dbraw/zinc/04/24/04/613042404.db2.gz	POCQXNULZNSLKY-MRVPVSSYSA-N	-1	0	263.297	0.914	20	30		CCEDRM
C#CC[C@@H](NC(=O)c1ocnc1C(F)F)C(=O)[O-]	ZINC000910049101	613042513	/nfs/dbraw/zinc/04/25/13/613042513.db2.gz	SHQVWHHLQPXMMC-RXMQYKEDSA-N	-1	0	258.180	0.819	20	30		CCEDRM
C#CCCNS(=O)(=O)N=[S@](C)(=O)C(C)(C)C	ZINC000872449203	613048016	/nfs/dbraw/zinc/04/80/16/613048016.db2.gz	LZEHYPCVOMZVFR-OAHLLOKOSA-N	-1	0	266.388	0.740	20	30		CCEDRM
C#CCCS(=O)(=O)[N-]C(=O)Cc1cnn2c1CCCC2	ZINC000870331648	613053068	/nfs/dbraw/zinc/05/30/68/613053068.db2.gz	NSVGGWNFQXUMAV-UHFFFAOYSA-N	-1	0	295.364	0.231	20	30		CCEDRM
C#CCCS(=O)(=O)[N-]C(=O)[C@H]1CCCC[C@H]1OC	ZINC000816056396	613053399	/nfs/dbraw/zinc/05/33/99/613053399.db2.gz	QUKQIMCMDBVEED-WDEREUQCSA-N	-1	0	273.354	0.661	20	30		CCEDRM
C#CCCS(=O)(=O)[N-]C(=O)c1ccc([N+](=O)[O-])c(C)c1	ZINC000810783610	613053566	/nfs/dbraw/zinc/05/35/66/613053566.db2.gz	XBFCLRNUJSJHRB-UHFFFAOYSA-N	-1	0	296.304	0.986	20	30		CCEDRM
C#CCCS(=O)(=O)[N-]C(=O)c1ccc(C#N)nc1	ZINC000810782748	613053601	/nfs/dbraw/zinc/05/36/01/613053601.db2.gz	UKKPLUDRUNAZOF-UHFFFAOYSA-N	-1	0	263.278	0.036	20	30		CCEDRM
C#CCCS(=O)(=O)[N-]C(=O)c1ccc(OC)nc1	ZINC000810786810	613053684	/nfs/dbraw/zinc/05/36/84/613053684.db2.gz	XVVYSSNVXXYXKF-UHFFFAOYSA-N	-1	0	268.294	0.173	20	30		CCEDRM
C#CCCS(=O)(=O)[N-]C(=O)c1ncc(C#N)cc1C	ZINC000816056268	613053962	/nfs/dbraw/zinc/05/39/62/613053962.db2.gz	LDTJXQIQJYKVGT-UHFFFAOYSA-N	-1	0	277.305	0.345	20	30		CCEDRM
C#CC[C@H](COC)[N-]S(=O)(=O)c1ncccc1[N+](=O)[O-]	ZINC000859429709	613066804	/nfs/dbraw/zinc/06/68/04/613066804.db2.gz	ZZZNNCDMQVTQDB-SECBINFHSA-N	-1	0	299.308	0.306	20	30		CCEDRM
C#CC[C@H](NC(=O)[C@@H]1OC[C@@H]2CCC[C@@H]21)C(=O)[O-]	ZINC000910048768	613069052	/nfs/dbraw/zinc/06/90/52/613069052.db2.gz	OIRKPVATFJIVBC-XWLWVQCSSA-N	-1	0	251.282	0.394	20	30		CCEDRM
C#CC[C@H](NC(=O)[C@@](C)(O)CCc1ccccc1)C(=O)[O-]	ZINC000910050893	613069276	/nfs/dbraw/zinc/06/92/76/613069276.db2.gz	PPZOUFHMECXJIJ-BBRMVZONSA-N	-1	0	289.331	0.963	20	30		CCEDRM
C#CC[C@H](NC(=O)c1cc(C2CC2)n(CC)n1)C(=O)[O-]	ZINC000910047941	613069911	/nfs/dbraw/zinc/06/99/11/613069911.db2.gz	AMJADIYRCQIAJZ-JTQLQIEISA-N	-1	0	275.308	0.987	20	30		CCEDRM
C#CCN(C(=O)c1cc(=O)n(C)[n-]1)C1CSC1	ZINC000912362347	613070027	/nfs/dbraw/zinc/07/00/27/613070027.db2.gz	MVNPVROVTZGMJC-UHFFFAOYSA-N	-1	0	251.311	0.317	20	30		CCEDRM
C#CC[C@H](NC(=O)c1ccn(C(C)(C)C)n1)C(=O)[O-]	ZINC000910046099	613070401	/nfs/dbraw/zinc/07/04/01/613070401.db2.gz	LQRLNYRLHGZHHP-JTQLQIEISA-N	-1	0	263.297	0.844	20	30		CCEDRM
C#CC[C@H](NC(=O)c1cnn(CCOCC)c1)C(=O)[O-]	ZINC000910046540	613070610	/nfs/dbraw/zinc/07/06/10/613070610.db2.gz	RSEPQGDVATXBNM-NSHDSACASA-N	-1	0	279.296	0.126	20	30		CCEDRM
C#C[C@@H](C)N(C)S(=O)(=O)c1c[nH]c(C(=O)[O-])c1	ZINC000871950598	613079837	/nfs/dbraw/zinc/07/98/37/613079837.db2.gz	HRMCQTAAYKUKQK-SSDOTTSWSA-N	-1	0	256.283	0.355	20	30		CCEDRM
C#C[C@@H](C)OC(=O)COc1ccc(-c2nn[nH]n2)cc1	ZINC000819688394	613082626	/nfs/dbraw/zinc/08/26/26/613082626.db2.gz	IEFNUBPWPNCASM-SECBINFHSA-N	-1	0	272.264	0.810	20	30		CCEDRM
C#C[C@@H](C)OC(=O)CN(C[C@H]1CCCO1)C(=O)[O-]	ZINC000823441043	613082644	/nfs/dbraw/zinc/08/26/44/613082644.db2.gz	QYRFARDIKGVHMN-NXEZZACHSA-N	-1	0	255.270	0.710	20	30		CCEDRM
C#C[C@@H](NC(=O)NCC1(C(=O)[O-])CCC1)[C@@H]1CCCO1	ZINC000851652718	613095209	/nfs/dbraw/zinc/09/52/09/613095209.db2.gz	XQMGZMPXLPFQLM-MNOVXSKESA-N	-1	0	280.324	0.721	20	30		CCEDRM
C#C[C@@H](NC(=O)c1ccc([N-]S(C)(=O)=O)nc1)C(C)C	ZINC000861511493	613099060	/nfs/dbraw/zinc/09/90/60/613099060.db2.gz	GWAQGFKBCVHONT-LLVKDONJSA-N	-1	0	295.364	0.841	20	30		CCEDRM
C#CCN(CC#N)C(=O)c1n[n-]c2ccccc2c1=O	ZINC000799088842	613101423	/nfs/dbraw/zinc/10/14/23/613101423.db2.gz	ZPOAOTSQSLMKHY-UHFFFAOYSA-N	-1	0	266.260	0.934	20	30		CCEDRM
C#CCN(CC)CC(=O)N[C@@H](C(=O)[O-])[C@@H](C)CC	ZINC000825614782	613106734	/nfs/dbraw/zinc/10/67/34/613106734.db2.gz	XXBYCDNIMANHOC-CMPLNLGQSA-N	-1	0	254.330	0.557	20	30		CCEDRM
C#C[C@H]1CCCN(C(=O)COCc2ocnc2C(=O)[O-])C1	ZINC000911408570	613156663	/nfs/dbraw/zinc/15/66/63/613156663.db2.gz	CVUJTRDQASBUDM-JTQLQIEISA-N	-1	0	292.291	0.761	20	30		CCEDRM
C#C[C@](C)(CC)NC(=O)c1ccc([N-]S(C)(=O)=O)nc1	ZINC000861858724	613164007	/nfs/dbraw/zinc/16/40/07/613164007.db2.gz	XNQNYOWQOPKUPC-CYBMUJFWSA-N	-1	0	295.364	0.985	20	30		CCEDRM
C#Cc1ccc(C(=O)N2C[C@H](C)[C@H](C(=O)[O-])C2)nc1	ZINC000825636886	613174764	/nfs/dbraw/zinc/17/47/64/613174764.db2.gz	WLRKYTPIZAVKSK-GXSJLCMTSA-N	-1	0	258.277	0.856	20	30		CCEDRM
C#Cc1cccc(NC(=O)C(=O)N(C)C[C@@H](C)C(=O)[O-])c1	ZINC000817890377	613201625	/nfs/dbraw/zinc/20/16/25/613201625.db2.gz	XFGXLFFFGUAYAZ-SNVBAGLBSA-N	-1	0	288.303	0.786	20	30		CCEDRM
C#Cc1cccc(NC(=O)C(=O)N[C@H]2C[C@@H](C(=O)[O-])C2)c1	ZINC000868220948	613203120	/nfs/dbraw/zinc/20/31/20/613203120.db2.gz	XOSZSHMVDYQLIH-KLPPZKSPSA-N	-1	0	286.287	0.586	20	30		CCEDRM
C#Cc1ccccc1CC(=O)NCCCc1n[nH]c(=O)[n-]1	ZINC000810462456	613206569	/nfs/dbraw/zinc/20/65/69/613206569.db2.gz	QZBQAJMQJUBNHR-UHFFFAOYSA-N	-1	0	284.319	0.783	20	30		CCEDRM
C#Cc1cncc(C(=O)N[C@@](C)(COC)CC(=O)[O-])c1	ZINC000909375467	613220700	/nfs/dbraw/zinc/22/07/00/613220700.db2.gz	WCFCODNEAYVAKI-CQSZACIVSA-N	-1	0	276.292	0.673	20	30		CCEDRM
C=C(Br)CNC(=O)c1cc(=O)n(C)[n-]1	ZINC000823962744	613238769	/nfs/dbraw/zinc/23/87/69/613238769.db2.gz	VXWRWEZDRTXZJI-UHFFFAOYSA-N	-1	0	260.091	0.764	20	30		CCEDRM
C=C(Br)CNC(=O)c1c[nH]c(-c2nn[nH]n2)c1	ZINC000823873672	613238631	/nfs/dbraw/zinc/23/86/31/613238631.db2.gz	OZFNIVBPIKACQF-UHFFFAOYSA-N	-1	0	297.116	0.833	20	30		CCEDRM
C=C(C)C(C)(C)C(=O)[N-]S(=O)(=O)CCCC(=O)OC	ZINC000820074728	613244638	/nfs/dbraw/zinc/24/46/38/613244638.db2.gz	RNYGWSYJYZCDSD-UHFFFAOYSA-N	-1	0	291.369	0.988	20	30		CCEDRM
C=C(C)C(C)(C)C(=O)[N-]S(=O)(=O)CC(=O)OC	ZINC000820048152	613244775	/nfs/dbraw/zinc/24/47/75/613244775.db2.gz	LYDNTPUHCCXXLE-UHFFFAOYSA-N	-1	0	263.315	0.208	20	30		CCEDRM
C=C(C)CN(CC)C(=O)CN1CCO[C@H](C(=O)[O-])C1	ZINC000043710788	613292868	/nfs/dbraw/zinc/29/28/68/613292868.db2.gz	CJTVDSIJULSSNJ-NSHDSACASA-N	-1	0	270.329	0.196	20	30		CCEDRM
C=C(C)CN(CC)C(=O)CN[C@]1(C(=O)[O-])CCOC1	ZINC000833369287	613293125	/nfs/dbraw/zinc/29/31/25/613293125.db2.gz	PEMMLOCCLSJYRP-CYBMUJFWSA-N	-1	0	270.329	0.244	20	30		CCEDRM
C=C(C)CN(CC)C(=O)COC(=O)[C@H](C)NC(=O)[O-]	ZINC000833369365	613293671	/nfs/dbraw/zinc/29/36/71/613293671.db2.gz	SSIAHFFBJOPHQP-VIFPVBQESA-N	-1	0	272.301	0.610	20	30		CCEDRM
C=C(C)CO[N-]C(=O)C(=O)Nc1cncc(OC)c1	ZINC000873933860	613352394	/nfs/dbraw/zinc/35/23/94/613352394.db2.gz	CSDPTWJCJFKBBF-UHFFFAOYSA-N	-1	0	265.269	0.653	20	30		CCEDRM
C=C(C)CO[N-]C(=O)CNC(=O)Cc1ccccc1	ZINC000846541240	613352480	/nfs/dbraw/zinc/35/24/80/613352480.db2.gz	REQJECRTWVUPGW-UHFFFAOYSA-N	-1	0	262.309	0.969	20	30		CCEDRM
C=C(C)CO[N-]C(=O)CN(C)S(=O)(=O)c1ccccc1	ZINC000846537718	613352482	/nfs/dbraw/zinc/35/24/82/613352482.db2.gz	JPAVVDTVJZMFSK-UHFFFAOYSA-N	-1	0	298.364	0.931	20	30		CCEDRM
C=C(C)CO[N-]C(=O)CN1C(=O)[C@@H]2CC=CC[C@@H]2C1=O	ZINC000846534639	613352560	/nfs/dbraw/zinc/35/25/60/613352560.db2.gz	VQYBFCNWRRNHJR-PHIMTYICSA-N	-1	0	278.308	0.562	20	30		CCEDRM
C=C(C)C[C@@H](NC(=O)Cn1ccnc1C)C(=O)[O-]	ZINC000910286457	613355802	/nfs/dbraw/zinc/35/58/02/613355802.db2.gz	IVCOECKPGQJOET-SNVBAGLBSA-N	-1	0	251.286	0.727	20	30		CCEDRM
C=C(C)C[C@@H](NC(=O)[C@@H](C)n1cncn1)C(=O)[O-]	ZINC000864188555	613355915	/nfs/dbraw/zinc/35/59/15/613355915.db2.gz	TYWKJBFCCAKTBF-RKDXNWHRSA-N	-1	0	252.274	0.375	20	30		CCEDRM
C=C(C)C[C@@H](NC(=O)[C@H]1CN(CC)CCO1)C(=O)[O-]	ZINC000910292252	613356076	/nfs/dbraw/zinc/35/60/76/613356076.db2.gz	NZYSQMKMSWBQFZ-GHMZBOCLSA-N	-1	0	270.329	0.243	20	30		CCEDRM
C=C(C)C[C@@H](NC(C)=O)C(=O)[N-]S(=O)(=O)CCCF	ZINC000850870942	613356419	/nfs/dbraw/zinc/35/64/19/613356419.db2.gz	KZAPYIGMNXIKIJ-SNVBAGLBSA-N	-1	0	294.348	0.263	20	30		CCEDRM
C=C(C)C[C@H](NC(=O)/C=C\c1cn(C)cn1)C(=O)[O-]	ZINC000923105673	613358617	/nfs/dbraw/zinc/35/86/17/613358617.db2.gz	VMAKFTKSKNETNP-WYGGZMRJSA-N	-1	0	263.297	0.969	20	30		CCEDRM
C=C(C)C[C@H](NC(=O)[C@@H]1CCn2ccnc2C1)C(=O)[O-]	ZINC000910291589	613358887	/nfs/dbraw/zinc/35/88/87/613358887.db2.gz	JYFCQPJHNKXGRN-MNOVXSKESA-N	-1	0	277.324	0.981	20	30		CCEDRM
C=C(C)C[C@H](NC(=O)[C@@H](OCC)[C@H]1CCOC1)C(=O)[O-]	ZINC000864188864	613358948	/nfs/dbraw/zinc/35/89/48/613358948.db2.gz	WSZLHNIKPOSFHG-SRVKXCTJSA-N	-1	0	285.340	0.964	20	30		CCEDRM
C=C(C)C[C@H](NC(C)=O)C(=O)[N-]S(=O)(=O)CCC	ZINC000850854258	613359454	/nfs/dbraw/zinc/35/94/54/613359454.db2.gz	ZLVKDRDHZPXFBL-JTQLQIEISA-N	-1	0	276.358	0.313	20	30		CCEDRM
C=C(C)C[C@H](NC(C)=O)C(=O)[N-]S(=O)(=O)C1(C)CC1	ZINC000851022297	613359463	/nfs/dbraw/zinc/35/94/63/613359463.db2.gz	BWPQSRSXQQDWSW-JTQLQIEISA-N	-1	0	288.369	0.456	20	30		CCEDRM
C=C(C)[C@H](CC(=O)N[C@](C)(COC)C(=O)[O-])OCC	ZINC000833366816	613362245	/nfs/dbraw/zinc/36/22/45/613362245.db2.gz	DLJGXCRQMXPFCN-GXFFZTMASA-N	-1	0	273.329	0.964	20	30		CCEDRM
C=C(C)[C@H](CC(=O)N1CCOC[C@@H]1c1nnn[n-]1)OCC	ZINC000913495969	613362280	/nfs/dbraw/zinc/36/22/80/613362280.db2.gz	QGQHCIJXYCIQAA-MNOVXSKESA-N	-1	0	295.343	0.471	20	30		CCEDRM
C=C(Cl)C[C@@H](NC(=O)COCCCOC)C(=O)[O-]	ZINC000910270046	613388425	/nfs/dbraw/zinc/38/84/25/613388425.db2.gz	GRXBLAJOLMDQOF-SECBINFHSA-N	-1	0	279.720	0.752	20	30		CCEDRM
C=C(Cl)C[C@@H](NC(=O)[C@@H](O)C1CCC1)C(=O)[O-]	ZINC000910265654	613388609	/nfs/dbraw/zinc/38/86/09/613388609.db2.gz	ITYOHBRCUQXXGX-BDAKNGLRSA-N	-1	0	261.705	0.859	20	30		CCEDRM
C=C(Cl)C[C@@H](NS(=O)(=O)N1CCCC1)C(=O)[O-]	ZINC000863420910	613388678	/nfs/dbraw/zinc/38/86/78/613388678.db2.gz	NWHNOCKRGLHZHA-MRVPVSSYSA-N	-1	0	282.749	0.512	20	30		CCEDRM
C=C(Cl)C[C@@H](NC(=O)c1nnn(C)c1C)C(=O)[O-]	ZINC000910267091	613388695	/nfs/dbraw/zinc/38/86/95/613388695.db2.gz	RNGXTSZLJISCRO-SSDOTTSWSA-N	-1	0	272.692	0.449	20	30		CCEDRM
C=C(Cl)C[C@@H](NC(=O)c1ccc(OC)nn1)C(=O)[O-]	ZINC000864185512	613388757	/nfs/dbraw/zinc/38/87/57/613388757.db2.gz	ZLYAMQBBRXUDGT-MRVPVSSYSA-N	-1	0	285.687	0.811	20	30		CCEDRM
C=C(Cl)C[C@H](NC(=O)CCn1ccnn1)C(=O)[O-]	ZINC000910270045	613390507	/nfs/dbraw/zinc/39/05/07/613390507.db2.gz	GRHYBVUNXDPORJ-QMMMGPOBSA-N	-1	0	272.692	0.380	20	30		CCEDRM
C=C(Cl)C[C@H](NC(=O)c1cc(=O)[nH][n-]1)C(=O)OCC	ZINC000870031350	613390592	/nfs/dbraw/zinc/39/05/92/613390592.db2.gz	NXWQPNDROKXOQX-QMMMGPOBSA-N	-1	0	287.703	0.053	20	30		CCEDRM
C=C(Cl)C[C@H](NC(=O)N[C@@H]1COC[C@@H]1C)C(=O)[O-]	ZINC000905608615	613390733	/nfs/dbraw/zinc/39/07/33/613390733.db2.gz	QSZBZRSWEXVZMI-CNUIFLNQSA-N	-1	0	276.720	0.916	20	30		CCEDRM
C=CCS(=O)(=O)[N-]C(=O)c1cnn2c1C[C@@H](C)CC2	ZINC000842747530	613394812	/nfs/dbraw/zinc/39/48/12/613394812.db2.gz	KCMBKQNEPWRILP-VIFPVBQESA-N	-1	0	283.353	0.711	20	30		CCEDRM
C=C1CCC(C(=O)[N-]S(=O)(=O)[C@H]2CCOC2)CC1	ZINC000892691984	613409450	/nfs/dbraw/zinc/40/94/50/613409450.db2.gz	QDDFMVSAUNDSSB-NSHDSACASA-N	-1	0	273.354	0.968	20	30		CCEDRM
C=CC[C@H](CC)NC(=O)C(=O)NC[C@H](CC)C(=O)[O-]	ZINC000927942772	613414663	/nfs/dbraw/zinc/41/46/63/613414663.db2.gz	ITNDNDCCVYHTBF-UWVGGRQHSA-N	-1	0	270.329	0.684	20	30		CCEDRM
C=C[C@@H](C)O[N-]C(=O)C(=O)Nc1cnc(CC)nc1	ZINC000846153216	613443253	/nfs/dbraw/zinc/44/32/53/613443253.db2.gz	HVIVKFHFWVEDNO-MRVPVSSYSA-N	-1	0	264.285	0.600	20	30		CCEDRM
C=CC(C)(C)CC(=O)NCCn1cc(C(=O)[O-])nn1	ZINC000909818233	613445660	/nfs/dbraw/zinc/44/56/60/613445660.db2.gz	NPDJRROOXZOAKJ-UHFFFAOYSA-N	-1	0	266.301	0.695	20	30		CCEDRM
C=C[C@@H](C)O[N-]C(=O)[C@H](C)Sc1nncn1C	ZINC000846551390	613447061	/nfs/dbraw/zinc/44/70/61/613447061.db2.gz	UOCHNMVAAXLSDL-SFYZADRCSA-N	-1	0	256.331	0.918	20	30		CCEDRM
C=CC1(S(=O)(=O)[N-]C(=O)[C@@H]2C[C@@H](C)O[C@H]2C)CC1	ZINC000870839890	613451302	/nfs/dbraw/zinc/45/13/02/613451302.db2.gz	ZRDLVPQKQTUCIP-KXUCPTDWSA-N	-1	0	273.354	0.965	20	30		CCEDRM
C=CC1(S(=O)(=O)[N-]C(=O)[C@H]2CSCCS2)CC1	ZINC000870835654	613451852	/nfs/dbraw/zinc/45/18/52/613451852.db2.gz	QFFAARRZPJYWBW-MRVPVSSYSA-N	-1	0	293.435	1.000	20	30		CCEDRM
C=CC1(S(=O)(=O)[N-]C(=O)c2coc(OCC)n2)CC1	ZINC000870836349	613452245	/nfs/dbraw/zinc/45/22/45/613452245.db2.gz	YPODZPASEASGGX-UHFFFAOYSA-N	-1	0	286.309	0.852	20	30		CCEDRM
C=CC1(S(=O)(=O)[N-]C(=O)c2cnc(N(C)C)cn2)CC1	ZINC000870838770	613452294	/nfs/dbraw/zinc/45/22/94/613452294.db2.gz	LXWOPAPPZKXOPH-UHFFFAOYSA-N	-1	0	296.352	0.321	20	30		CCEDRM
C=CC1CCN(C(=O)CCCn2c(=O)[n-][nH]c2=O)CC1	ZINC000906647964	613452315	/nfs/dbraw/zinc/45/23/15/613452315.db2.gz	ZOVFIUGZIUZGKS-UHFFFAOYSA-N	-1	0	280.328	0.894	20	30		CCEDRM
C=CCC(F)(F)C(=O)[N-]S(=O)(=O)C1(COC)CC1	ZINC000816090595	613455149	/nfs/dbraw/zinc/45/51/49/613455149.db2.gz	PZLVSQGBXDTVND-UHFFFAOYSA-N	-1	0	283.296	0.823	20	30		CCEDRM
C=CCC1(S(=O)(=O)[N-]C(=O)COC(C)C)CC1	ZINC000810981627	613460598	/nfs/dbraw/zinc/46/05/98/613460598.db2.gz	VAWOAMQJSNCLRB-UHFFFAOYSA-N	-1	0	261.343	0.966	20	30		CCEDRM
C=C[C@@H]1OCC[C@H]1C(=O)N1CCC(c2nnn[n-]2)CC1	ZINC000913746451	613462539	/nfs/dbraw/zinc/46/25/39/613462539.db2.gz	UOQNYLZTUBHCGR-MNOVXSKESA-N	-1	0	277.328	0.497	20	30		CCEDRM
C=CCCC(=O)N1CCN(C)C[C@H]1CNC(=O)[O-]	ZINC000823490455	613462590	/nfs/dbraw/zinc/46/25/90/613462590.db2.gz	CKEKOSWBMKAISF-SNVBAGLBSA-N	-1	0	255.318	0.363	20	30		CCEDRM
C=CCCC(=O)N1CCO[C@@H]([C@@H](C)NC(=O)[O-])C1	ZINC000823490923	613462650	/nfs/dbraw/zinc/46/26/50/613462650.db2.gz	NVPVFQQYORSBRU-NXEZZACHSA-N	-1	0	256.302	0.836	20	30		CCEDRM
C=CCCCC(=O)[N-]S(=O)(=O)c1cnn(C)c1C	ZINC000813953368	613464878	/nfs/dbraw/zinc/46/48/78/613464878.db2.gz	SHCHUOSUIOCGHK-UHFFFAOYSA-N	-1	0	271.342	0.890	20	30		CCEDRM
C=CCCC[C@@H](NC(=O)Cn1ccnc1)C(=O)[O-]	ZINC000910914362	613470595	/nfs/dbraw/zinc/47/05/95/613470595.db2.gz	GLFRTKOAJWTCOW-SNVBAGLBSA-N	-1	0	251.286	0.809	20	30		CCEDRM
C=C[C@@H]1OCC[C@H]1NC(=O)[C@@H]1[C@@H]2C=C[C@@H](C2)[C@@H]1C(=O)[O-]	ZINC000887297016	613471590	/nfs/dbraw/zinc/47/15/90/613471590.db2.gz	RCFJKLVQKPFCGX-PDWLFKFUSA-N	-1	0	277.320	0.969	20	30		CCEDRM
C=CCCC[C@H](NC(=O)CNC(=O)C1CC1)C(=O)[O-]	ZINC000910913774	613473498	/nfs/dbraw/zinc/47/34/98/613473498.db2.gz	CEKLTTLEGXGUDK-JTQLQIEISA-N	-1	0	268.313	0.438	20	30		CCEDRM
C=C[C@@](C)(O)C(=O)N[C@@H](Cc1ccc(F)cc1)C(=O)[O-]	ZINC000910925339	613478957	/nfs/dbraw/zinc/47/89/57/613478957.db2.gz	GMORAZPXSVEFGZ-SMDDNHRTSA-N	-1	0	281.283	0.875	20	30		CCEDRM
C=C[C@@](C)(O)C(=O)NCc1ccc(C(=O)[O-])s1	ZINC000909847720	613478981	/nfs/dbraw/zinc/47/89/81/613478981.db2.gz	MAXYSLSWWDVNTL-LLVKDONJSA-N	-1	0	255.295	1.000	20	30		CCEDRM
C=C[C@@](C)(O)C(=O)NCc1ncc(C(=O)[O-])s1	ZINC000910815577	613479104	/nfs/dbraw/zinc/47/91/04/613479104.db2.gz	DRTQUNOSFFNJHO-SNVBAGLBSA-N	-1	0	256.283	0.395	20	30		CCEDRM
C=C[C@H](C)O[N-]C(=O)C(=O)Nc1cc(C)nn1CC	ZINC000861898014	613483719	/nfs/dbraw/zinc/48/37/19/613483719.db2.gz	AMYKFUIQUONDRL-VIFPVBQESA-N	-1	0	266.301	0.772	20	30		CCEDRM
C=C[C@H](C)O[N-]C(=O)CN(C)C(=O)[C@@H](C)n1cccn1	ZINC000846550772	613484146	/nfs/dbraw/zinc/48/41/46/613484146.db2.gz	REQVESGQRCGYOR-WDEREUQCSA-N	-1	0	280.328	0.525	20	30		CCEDRM
C=C[C@H](C)O[N-]C(=O)CN(C)c1ncnc2nc[nH]c21	ZINC000846551399	613484276	/nfs/dbraw/zinc/48/42/76/613484276.db2.gz	UOFBUBGSIAICPM-QMMMGPOBSA-N	-1	0	276.300	0.411	20	30		CCEDRM
C=C[C@H](C)O[N-]C(=O)[C@@H]1CCCCN1S(C)(=O)=O	ZINC000846542941	613488338	/nfs/dbraw/zinc/48/83/38/613488338.db2.gz	JKEYMBNMJWNUOA-UWVGGRQHSA-N	-1	0	276.358	0.423	20	30		CCEDRM
C=C[C@H](O)C(=O)N1C[C@@H](c2ccccc2)[C@H](C(=O)[O-])C1	ZINC000909625019	613494919	/nfs/dbraw/zinc/49/49/19/613494919.db2.gz	WNDOLFPYIINXMS-XQQFMLRXSA-N	-1	0	275.304	0.860	20	30		CCEDRM
C=C[C@H](O)C(=O)N1CC[C@@](C(=O)[O-])(c2ccccc2)C1	ZINC000909858507	613494938	/nfs/dbraw/zinc/49/49/38/613494938.db2.gz	QNIXAYYQFKLIHR-WFASDCNBSA-N	-1	0	275.304	0.788	20	30		CCEDRM
C=C[C@H](O)C(=O)N[C@@]1(C(=O)[O-])C[C@@H](OCC)C1(C)C	ZINC000909603812	613496812	/nfs/dbraw/zinc/49/68/12/613496812.db2.gz	UWUZKPQIDIKKSX-IGJMFERPSA-N	-1	0	271.313	0.308	20	30		CCEDRM
C=C[C@H](O)C(=O)N[C@@H](Cc1cccc(OC)c1)C(=O)[O-]	ZINC000910211310	613497002	/nfs/dbraw/zinc/49/70/02/613497002.db2.gz	JKWYRFDPMVXEBX-RYUDHWBXSA-N	-1	0	279.292	0.354	20	30		CCEDRM
C=C[C@](C)(O)C(=O)NCCc1nc(C(=O)[O-])cs1	ZINC000909796024	613507133	/nfs/dbraw/zinc/50/71/33/613507133.db2.gz	LNJSCZBKTRUTAH-NSHDSACASA-N	-1	0	270.310	0.437	20	30		CCEDRM
C=C[C@](C)(O)C(=O)N1C[C@@H]2CCC[C@]2(C(=O)[O-])C1	ZINC000910419463	613507192	/nfs/dbraw/zinc/50/71/92/613507192.db2.gz	WHMBAOQALINJBM-XDTLVQLUSA-N	-1	0	253.298	0.637	20	30		CCEDRM
C=C[C@](C)(O)C(=O)NCc1nc(C)c(C(=O)[O-])s1	ZINC000909501447	613508154	/nfs/dbraw/zinc/50/81/54/613508154.db2.gz	GZLCEKBDVQANNC-NSHDSACASA-N	-1	0	270.310	0.703	20	30		CCEDRM
C=C[C@](C)(O)C(=O)N[C@H](C)c1ncc(C(=O)[O-])s1	ZINC000910153770	613508446	/nfs/dbraw/zinc/50/84/46/613508446.db2.gz	VFTDSXHKGUTDCA-KBUNVGBDSA-N	-1	0	270.310	0.956	20	30		CCEDRM
C=C[C@](C)(O)C(=O)N[C@H](Cc1ccccc1)C(=O)[O-]	ZINC000908583711	613508682	/nfs/dbraw/zinc/50/86/82/613508682.db2.gz	UWRJETXRHQTBJB-RISCZKNCSA-N	-1	0	263.293	0.736	20	30		CCEDRM
C=CCCOCC(=O)N1CC[C@H](C(=O)OC)C[C@@H]1C(=O)[O-]	ZINC000833373878	613571262	/nfs/dbraw/zinc/57/12/62/613571262.db2.gz	HLEQGOUFGPDGAT-WDEREUQCSA-N	-1	0	299.323	0.444	20	30		CCEDRM
C=CCCOCC(=O)N1CCSC[C@H]1c1nnn[n-]1	ZINC000907474445	613571657	/nfs/dbraw/zinc/57/16/57/613571657.db2.gz	KJDZPRYCCZDCBQ-VIFPVBQESA-N	-1	0	283.357	0.409	20	30		CCEDRM
C=CCCOCC(=O)N[C@@]1(CC(=O)[O-])CCCOC1	ZINC000823350056	613572856	/nfs/dbraw/zinc/57/28/56/613572856.db2.gz	ZUNUWQCAJIIGGI-CYBMUJFWSA-N	-1	0	271.313	0.719	20	30		CCEDRM
C=CCCO[N-]C(=O)COCc1nnc(C)s1	ZINC000856035971	613576625	/nfs/dbraw/zinc/57/66/25/613576625.db2.gz	PSSCKEZOXLPDLT-UHFFFAOYSA-N	-1	0	257.315	0.987	20	30		CCEDRM
C=CCCS(=O)(=O)N1CCN([C@@H](C)CC(=O)[O-])CC1	ZINC000825675998	613580744	/nfs/dbraw/zinc/58/07/44/613580744.db2.gz	NOQHGRBSZMUXCH-NSHDSACASA-N	-1	0	290.385	0.373	20	30		CCEDRM
C=CCCS(=O)(=O)N1CC[C@](F)(C(=O)[O-])C1	ZINC000825676042	613581209	/nfs/dbraw/zinc/58/12/09/613581209.db2.gz	PYMIBKRIFBKZJF-SECBINFHSA-N	-1	0	251.279	0.391	20	30		CCEDRM
C=CCCS(=O)(=O)NC[C@H](NC(=O)[O-])C(C)C	ZINC000823500510	613581524	/nfs/dbraw/zinc/58/15/24/613581524.db2.gz	FZNZCXSPBWDACF-VIFPVBQESA-N	-1	0	264.347	0.774	20	30		CCEDRM
C=CCC[C@H](NC(=O)NCCC(C)(C)O)C(=O)[O-]	ZINC000909066866	613589935	/nfs/dbraw/zinc/58/99/35/613589935.db2.gz	FQEMGLUKZHISKJ-VIFPVBQESA-N	-1	0	258.318	0.866	20	30		CCEDRM
C=CCC[C@H](NC(=O)c1cc2n(n1)CCO2)C(=O)[O-]	ZINC000909714449	613590581	/nfs/dbraw/zinc/59/05/81/613590581.db2.gz	WYNAGWMLZAULKH-QMMMGPOBSA-N	-1	0	265.269	0.425	20	30		CCEDRM
C=CCN(C)C(=O)COCc1ocnc1C(=O)[O-]	ZINC000909722062	613609183	/nfs/dbraw/zinc/60/91/83/613609183.db2.gz	PVECSGVZUBMEQK-UHFFFAOYSA-N	-1	0	254.242	0.534	20	30		CCEDRM
C=CCN(CC(=O)[O-])C(=O)[C@@H]1CCc2n[nH]cc2C1	ZINC000909515508	613643209	/nfs/dbraw/zinc/64/32/09/613643209.db2.gz	WAPGQDQZZHZYBP-SECBINFHSA-N	-1	0	263.297	0.614	20	30		CCEDRM
CC#CCNC(=O)[C@@H](O)c1ccc(-c2nn[nH]n2)cc1	ZINC000823936940	613644368	/nfs/dbraw/zinc/64/43/68/613644368.db2.gz	ALVVGMFNMMOVTP-NSHDSACASA-N	-1	0	271.280	0.040	20	30		CCEDRM
C=CCN(CC(=O)[O-])c1cc(NC[C@H](C)O)ncn1	ZINC000910395509	613644384	/nfs/dbraw/zinc/64/43/84/613644384.db2.gz	KTKVQJZUEGVBHT-VIFPVBQESA-N	-1	0	266.301	0.346	20	30		CCEDRM
C=CCN(CC(=O)[O-])c1cc(NC[C@@H](C)O)ncn1	ZINC000910395507	613644400	/nfs/dbraw/zinc/64/44/00/613644400.db2.gz	KTKVQJZUEGVBHT-SECBINFHSA-N	-1	0	266.301	0.346	20	30		CCEDRM
CC#CCN[C@H](C(=O)OC)c1ccc(-c2nn[nH]n2)cc1	ZINC000823943149	613645232	/nfs/dbraw/zinc/64/52/32/613645232.db2.gz	ORZHAKUUBKSDEK-LBPRGKRZSA-N	-1	0	285.307	0.694	20	30		CCEDRM
CC#CCS(=O)(=O)[N-]C(=O)/C=C\[C@H]1CCCO1	ZINC000820896110	613645611	/nfs/dbraw/zinc/64/56/11/613645611.db2.gz	PQRAEBCMAFRAKT-JYESYGNLSA-N	-1	0	257.311	0.191	20	30		CCEDRM
CC#CCS(=O)(=O)[N-]C(=O)CCn1cc(Cl)cn1	ZINC000810775602	613645841	/nfs/dbraw/zinc/64/58/41/613645841.db2.gz	MHYGRJAREWEMMF-UHFFFAOYSA-N	-1	0	289.744	0.396	20	30		CCEDRM
CC#CCS(=O)(=O)[N-]C(=O)CCCn1cccn1	ZINC000810774670	613645866	/nfs/dbraw/zinc/64/58/66/613645866.db2.gz	LZMCAOJLXFJDGA-UHFFFAOYSA-N	-1	0	269.326	0.133	20	30		CCEDRM
CC#CCS(=O)(=O)[N-]C(=O)CCc1nccs1	ZINC000810778355	613645891	/nfs/dbraw/zinc/64/58/91/613645891.db2.gz	UXPGANUQQVVPTC-UHFFFAOYSA-N	-1	0	272.351	0.545	20	30		CCEDRM
CC#CCS(=O)(=O)[N-]C(=O)CCc1cnn(C)c1C	ZINC000810776714	613645892	/nfs/dbraw/zinc/64/58/92/613645892.db2.gz	FMASMFWAKRYBMA-UHFFFAOYSA-N	-1	0	283.353	0.130	20	30		CCEDRM
CC#CCS(=O)(=O)[N-]C(=O)[C@@H](C)c1c(C)nn(C)c1C	ZINC000810774324	613646224	/nfs/dbraw/zinc/64/62/24/613646224.db2.gz	HGVSHQCPBNLMPY-VIFPVBQESA-N	-1	0	297.380	0.610	20	30		CCEDRM
CC#CCS(=O)(=O)[N-]C(=O)[C@@H]1C[C@]1(C)Br	ZINC000860720994	613646551	/nfs/dbraw/zinc/64/65/51/613646551.db2.gz	UOQXOCRALSNZSY-CBAPKCEASA-N	-1	0	294.170	0.629	20	30		CCEDRM
CC#CCS(=O)(=O)[N-]C(=O)c1cc(C(=O)OC)oc1C	ZINC000851000305	613647428	/nfs/dbraw/zinc/64/74/28/613647428.db2.gz	RLYDCTFBBMSOMK-UHFFFAOYSA-N	-1	0	299.304	0.458	20	30		CCEDRM
CC#CCS(=O)(=O)[N-]C(=O)c1ccc(C)nc1OCC	ZINC000810774376	613647636	/nfs/dbraw/zinc/64/76/36/613647636.db2.gz	YEYXAIDNENWPJP-UHFFFAOYSA-N	-1	0	296.348	0.872	20	30		CCEDRM
CC#CCS(=O)(=O)[N-]C(=O)c1conc1CC	ZINC000860720371	613648019	/nfs/dbraw/zinc/64/80/19/613648019.db2.gz	BTJFIVVFFJMZQC-UHFFFAOYSA-N	-1	0	256.283	0.320	20	30		CCEDRM
CC#CC[C@@H](CO)NC(=O)C(C)(C)[N-]C(=O)C(F)(F)F	ZINC000844111928	613648305	/nfs/dbraw/zinc/64/83/05/613648305.db2.gz	GMZXBBMVZJJGPF-QMMMGPOBSA-N	-1	0	294.273	0.334	20	30		CCEDRM
C=CCN(CN1C[C@@H]2CN(C(=O)[O-])CCN2C1=O)C(C)C	ZINC000823500261	613651200	/nfs/dbraw/zinc/65/12/00/613651200.db2.gz	DKTMOSDBQZOFKB-LBPRGKRZSA-N	-1	0	296.371	0.940	20	30		CCEDRM
C=CCN(Cc1c[nH]c(C(=O)[O-])c1)[C@@H]1CCS(=O)(=O)C1	ZINC000833374487	613651312	/nfs/dbraw/zinc/65/13/12/613651312.db2.gz	LTELZDNNGZIYQD-LLVKDONJSA-N	-1	0	298.364	0.888	20	30		CCEDRM
CC(=NNCC(N)=O)c1cccc(OCCCC(=O)[O-])c1	ZINC000814903954	613655024	/nfs/dbraw/zinc/65/50/24/613655024.db2.gz	JRRNKPBMXWMJKN-UHFFFAOYSA-N	-1	0	293.323	0.729	20	30		CCEDRM
CC(N=Nc1ncc(F)cn1)c1cn(CC(=O)[O-])nn1	ZINC000833386900	613657622	/nfs/dbraw/zinc/65/76/22/613657622.db2.gz	BGWFZYWTHVXCMQ-UHFFFAOYSA-N	-1	0	279.235	0.128	20	30		CCEDRM
C=CCNC(=O)COC(=O)[C@@H]1CCC[C@H](NC(=O)[O-])C1	ZINC000823507126	613848087	/nfs/dbraw/zinc/84/80/87/613848087.db2.gz	SQCALTIZWYNQEW-ZJUUUORDSA-N	-1	0	284.312	0.658	20	30		CCEDRM
C=CCNC(=O)COC(=O)c1cccc(C(=O)[O-])c1	ZINC000819719945	613848641	/nfs/dbraw/zinc/84/86/41/613848641.db2.gz	AAXZHBHWPBVYMV-UHFFFAOYSA-N	-1	0	263.249	0.844	20	30		CCEDRM
C=CCNC(=O)C(C#N)=C([O-])c1cnc2cc(C)nn2c1C	ZINC000916918909	613852981	/nfs/dbraw/zinc/85/29/81/613852981.db2.gz	XJCPYIZJAPFFPG-NSHDSACASA-N	-1	0	297.318	0.971	20	30		CCEDRM
C=CCNC(=O)C(C#N)=C([O-])c1ncn(-c2ccccc2)n1	ZINC000131215790	613855038	/nfs/dbraw/zinc/85/50/38/613855038.db2.gz	IVTAIBALRKWYPK-GFCCVEGCSA-N	-1	0	295.302	0.892	20	30		CCEDRM
C=CCNC(=O)[C@H](C)N1CCO[C@H]([C@H](C)NC(=O)[O-])C1	ZINC000823507476	613855314	/nfs/dbraw/zinc/85/53/14/613855314.db2.gz	YZOJGTZWCRPKJW-DCAQKATOSA-N	-1	0	285.344	0.034	20	30		CCEDRM
C=CCOCC(=O)N[C@@H](C(=O)[O-])[C@@H]1CCCOC1	ZINC000909547427	613879427	/nfs/dbraw/zinc/87/94/27/613879427.db2.gz	XMQZFYCLQIGWCF-MWLCHTKSSA-N	-1	0	257.286	0.185	20	30		CCEDRM
C=CCOCC(=O)NCc1ccc(C(=O)[O-])cn1	ZINC000911731460	613879395	/nfs/dbraw/zinc/87/93/95/613879395.db2.gz	BYHVWUHWGPQCAY-UHFFFAOYSA-N	-1	0	250.254	0.599	20	30		CCEDRM
C=CCOCC(=O)N[C@H](CC(F)(F)F)C(=O)[O-]	ZINC000909669212	613879541	/nfs/dbraw/zinc/87/95/41/613879541.db2.gz	PYDMQINGNDOQBS-ZCFIWIBFSA-N	-1	0	255.192	0.711	20	30		CCEDRM
C=CCOCCCC(=O)[N-]S(=O)(=O)C1(COC)CC1	ZINC000811150862	613879767	/nfs/dbraw/zinc/87/97/67/613879767.db2.gz	AJYKSTHXBAFOLV-UHFFFAOYSA-N	-1	0	291.369	0.594	20	30		CCEDRM
C=CCOCCNS(=O)(=O)C1(C(=O)[O-])CCC1	ZINC000905038542	613881111	/nfs/dbraw/zinc/88/11/11/613881111.db2.gz	YNSTVMRAOALBFP-UHFFFAOYSA-N	-1	0	263.315	0.116	20	30		CCEDRM
C=CCOC[C@@H](NC(=O)[C@H]1CCC(C)(C)O1)C(=O)[O-]	ZINC000909765845	613881757	/nfs/dbraw/zinc/88/17/57/613881757.db2.gz	GECAKZDVBOKNMT-NXEZZACHSA-N	-1	0	271.313	0.716	20	30		CCEDRM
C=CCOC[C@@H](NC(=O)[C@@H](CC(C)C)OC)C(=O)[O-]	ZINC000909772563	613881838	/nfs/dbraw/zinc/88/18/38/613881838.db2.gz	RYFPGUJQTCTRPN-GHMZBOCLSA-N	-1	0	273.329	0.820	20	30		CCEDRM
C=CCOC[C@@H](NS(=O)(=O)CCCC1CC1)C(=O)[O-]	ZINC000902985536	613882023	/nfs/dbraw/zinc/88/20/23/613882023.db2.gz	ZAPIQSSCSOEPSU-LLVKDONJSA-N	-1	0	291.369	0.752	20	30		CCEDRM
C=CCOC[C@H](NC(=O)/C=C\[C@H]1CCOC1)C(=O)[O-]	ZINC000909772952	613882228	/nfs/dbraw/zinc/88/22/28/613882228.db2.gz	YUGSNGCADHBKTL-WZQADMAKSA-N	-1	0	269.297	0.351	20	30		CCEDRM
C=CCOC[C@H](NC(=O)CC1(O)CCC1)C(=O)[O-]	ZINC000909769115	613882262	/nfs/dbraw/zinc/88/22/62/613882262.db2.gz	ALCYLJOBDDYHIX-VIFPVBQESA-N	-1	0	257.286	0.064	20	30		CCEDRM
C=CCOC[C@H](NC(=O)N[C@H]1COC2(CCC2)C1)C(=O)[O-]	ZINC000905572105	613882498	/nfs/dbraw/zinc/88/24/98/613882498.db2.gz	AYIUIUVNAWEFLJ-MNOVXSKESA-N	-1	0	298.339	0.653	20	30		CCEDRM
C=CCOC[C@H](NC(=O)[C@H](O)c1ccccc1)C(=O)[O-]	ZINC000909769147	613882515	/nfs/dbraw/zinc/88/25/15/613882515.db2.gz	BDZJNSCJHOMTJJ-NWDGAFQWSA-N	-1	0	279.292	0.492	20	30		CCEDRM
C=CCOC[C@H](NC(=O)[C@@H]1C[C@H](C)CO1)C(=O)[O-]	ZINC000909767402	613882615	/nfs/dbraw/zinc/88/26/15/613882615.db2.gz	NTALAGKMOLTGPF-GUBZILKMSA-N	-1	0	257.286	0.183	20	30		CCEDRM
C=CCO[N-]C(=O)C(=O)Nc1c(OC)ccnc1OC	ZINC000890314684	613883013	/nfs/dbraw/zinc/88/30/13/613883013.db2.gz	XXZBJEABVVKWGU-UHFFFAOYSA-N	-1	0	281.268	0.271	20	30		CCEDRM
C=CCO[N-]C(=O)CN1C(=O)[C@@H]2CCCC[C@@H]2C1=O	ZINC000837045188	613883140	/nfs/dbraw/zinc/88/31/40/613883140.db2.gz	ZUPDZCVYNJXLGB-AOOOYVTPSA-N	-1	0	266.297	0.395	20	30		CCEDRM
C=CCO[N-]C(=O)CN(C)S(=O)(=O)c1ccccc1	ZINC000837043917	613883202	/nfs/dbraw/zinc/88/32/02/613883202.db2.gz	HXURZXASKKQSSX-UHFFFAOYSA-N	-1	0	284.337	0.541	20	30		CCEDRM
C=CCS(=O)(=O)CCNC(=O)c1ccc(C(=O)[O-])cc1	ZINC000819720246	613885563	/nfs/dbraw/zinc/88/55/63/613885563.db2.gz	PYSGNDGYZWYMMM-UHFFFAOYSA-N	-1	0	297.332	0.715	20	30		CCEDRM
C=CCS(=O)(=O)[N-]C(=O)c1cc(C)c(C(=O)OC)o1	ZINC000860631624	613886280	/nfs/dbraw/zinc/88/62/80/613886280.db2.gz	YQRKYUMBVSLSIH-UHFFFAOYSA-N	-1	0	287.293	0.620	20	30		CCEDRM
C=CCS(=O)(=O)[N-]C(=O)c1cccc(OC)c1	ZINC000132758478	613886339	/nfs/dbraw/zinc/88/63/39/613886339.db2.gz	DQIHGOOFBJSAKI-UHFFFAOYSA-N	-1	0	255.295	0.941	20	30		CCEDRM
CC(C)C(=O)NCCCNC(=O)[C@@](C)(C#N)CC(=O)[O-]	ZINC000819955424	613908293	/nfs/dbraw/zinc/90/82/93/613908293.db2.gz	XVFLFICHYIUKSO-CYBMUJFWSA-N	-1	0	283.328	0.269	20	30		CCEDRM
CC(C)NC(=O)C(C#N)=C([O-])c1nnn(C(C)(C)C)n1	ZINC000850762283	613930857	/nfs/dbraw/zinc/93/08/57/613930857.db2.gz	WQZIZKZPVCVMFD-QMMMGPOBSA-N	-1	0	278.316	0.275	20	30		CCEDRM
CC(C)(CC(=O)OC1CCN(CC#N)CC1)NC(=O)[O-]	ZINC000823886382	614079836	/nfs/dbraw/zinc/07/98/36/614079836.db2.gz	RSWJAZSGNLJQJT-UHFFFAOYSA-N	-1	0	283.328	0.954	20	30		CCEDRM
CC(C)[C@@H](CNC(=O)c1cc(C#N)cn1C)NC(=O)[O-]	ZINC000824123033	614096953	/nfs/dbraw/zinc/09/69/53/614096953.db2.gz	MQMSWYNAAORUFZ-SNVBAGLBSA-N	-1	0	278.312	0.919	20	30		CCEDRM
CC(C)(CNC(=O)[O-])C(=O)NC[C@@H]1CCCN(CC#N)C1	ZINC000823957276	614102628	/nfs/dbraw/zinc/10/26/28/614102628.db2.gz	YRJIHYCLWQLIKK-NSHDSACASA-N	-1	0	296.371	0.632	20	30		CCEDRM
CC(C)(CNC(=O)c1ccc(C#N)nc1)NC(=O)[O-]	ZINC000824001293	614108303	/nfs/dbraw/zinc/10/83/03/614108303.db2.gz	DCZKJIOYIKAZPB-UHFFFAOYSA-N	-1	0	262.269	0.729	20	30		CCEDRM
CC(C)(C#N)C(=O)N1CCC([C@H](O)C(=O)[O-])CC1	ZINC000833408427	614284437	/nfs/dbraw/zinc/28/44/37/614284437.db2.gz	SHOKQKLUQDMJJO-VIFPVBQESA-N	-1	0	254.286	0.220	20	30		CCEDRM
CC(C)[C@](C)(C#N)NC(=O)CN1CCC[C@H]1CNC(=O)[O-]	ZINC000824057991	614285824	/nfs/dbraw/zinc/28/58/24/614285824.db2.gz	UOTKMPZCAOLUCX-FZMZJTMJSA-N	-1	0	296.371	0.773	20	30		CCEDRM
CC(C)(C#N)CS(=O)(=O)N1CSC[C@H]1C(=O)[O-]	ZINC000905986323	614286902	/nfs/dbraw/zinc/28/69/02/614286902.db2.gz	RZTUWBMLPQYBKZ-ZETCQYMHSA-N	-1	0	278.355	0.325	20	30		CCEDRM
CC(C)(C#N)CS(=O)(=O)[N-]C(=O)c1cnc2n1CCC2	ZINC000850930181	614287134	/nfs/dbraw/zinc/28/71/34/614287134.db2.gz	ROKKHQLRKBNCOM-UHFFFAOYSA-N	-1	0	296.352	0.439	20	30		CCEDRM
CC(C)(C#N)CS(=O)(=O)N[C@]1(C)CC(C)(C)OC1=O	ZINC000915920919	614288247	/nfs/dbraw/zinc/28/82/47/614288247.db2.gz	FZUDRQBDDREYIY-GFCCVEGCSA-N	-1	0	288.369	0.940	20	30		CCEDRM
CC(C)c1nc(CN2CCN(C(=O)[O-])C[C@H]2C#N)no1	ZINC000824488336	614320857	/nfs/dbraw/zinc/32/08/57/614320857.db2.gz	PFCPVKPKOBOZKY-SECBINFHSA-N	-1	0	279.300	0.881	20	30		CCEDRM
CCCCOCC(=O)N1CCN(C(=O)[O-])C[C@H]1C#N	ZINC000826842001	614444677	/nfs/dbraw/zinc/44/46/77/614444677.db2.gz	GORJQLAAKIKHPR-SNVBAGLBSA-N	-1	0	269.301	0.517	20	30		CCEDRM
CCCc1cc(C(=O)N2CCN(C(=O)[O-])C[C@H]2C#N)[nH]n1	ZINC000826950269	614464742	/nfs/dbraw/zinc/46/47/42/614464742.db2.gz	YKIVZZFAPLVZNV-SNVBAGLBSA-N	-1	0	291.311	0.690	20	30		CCEDRM
CCC(CC)[C@H](O)CNC(=O)[C@@](C)(C#N)CC(=O)[O-]	ZINC000820272894	614578711	/nfs/dbraw/zinc/57/87/11/614578711.db2.gz	NHQUKZSBTPTOQE-ZWNOBZJWSA-N	-1	0	270.329	0.904	20	30		CCEDRM
CC1(C)CO[C@H](CC(=O)[N-]S(=O)(=O)CCCC#N)C1	ZINC000892926926	614732292	/nfs/dbraw/zinc/73/22/92/614732292.db2.gz	ZYFGVDGGQULETC-SNVBAGLBSA-N	-1	0	288.369	0.941	20	30		CCEDRM
CCCNC(=O)COC(=O)[C@@](C)(C#N)CC(=O)[O-]	ZINC000820321352	614858598	/nfs/dbraw/zinc/85/85/98/614858598.db2.gz	YOCBNOPABLLSMV-LLVKDONJSA-N	-1	0	256.258	0.060	20	30		CCEDRM
CCCNC(=O)c1cccc(C([O-])=C(C#N)C(=O)NC)c1	ZINC000122320116	614875460	/nfs/dbraw/zinc/87/54/60/614875460.db2.gz	NJUZLWMUUQHHSK-LBPRGKRZSA-N	-1	0	287.319	0.895	20	30		CCEDRM
CCN(CC(=O)[O-])S(=O)(=O)c1ccc(C)cc1C#N	ZINC000871769255	614946739	/nfs/dbraw/zinc/94/67/39/614946739.db2.gz	HIZWYVPDMNIYEU-UHFFFAOYSA-N	-1	0	282.321	0.962	20	30		CCEDRM
CCN(CC(=O)OC1CCN(CC#N)CC1)C(=O)[O-]	ZINC000827014362	614949448	/nfs/dbraw/zinc/94/94/48/614949448.db2.gz	DHXBBAKXCPLYQN-UHFFFAOYSA-N	-1	0	269.301	0.517	20	30		CCEDRM
CCN(CC1CCN(CC(=O)NCC#N)CC1)C(=O)[O-]	ZINC000827092456	615020274	/nfs/dbraw/zinc/02/02/74/615020274.db2.gz	FLWYXPVBKLXMBS-UHFFFAOYSA-N	-1	0	282.344	0.338	20	30		CCEDRM
CCN(CCC#N)C(=O)CN(CC(=O)[O-])C(C)C	ZINC000820343978	615021135	/nfs/dbraw/zinc/02/11/35/615021135.db2.gz	GWHIMISBBCONFZ-UHFFFAOYSA-N	-1	0	255.318	0.544	20	30		CCEDRM
CCOC(=O)C[C@@H](C)NC(=O)[C@](C)(C#N)CC(=O)[O-]	ZINC000820364348	615203124	/nfs/dbraw/zinc/20/31/24/615203124.db2.gz	CRKITNBGZDXVFX-PELKAZGASA-N	-1	0	270.285	0.449	20	30		CCEDRM
CCN1C[C@@H](C(=O)[N-]Oc2cccc(C#N)c2)CC1=O	ZINC000870693904	615336181	/nfs/dbraw/zinc/33/61/81/615336181.db2.gz	YJKYLVMUZOEJRD-NSHDSACASA-N	-1	0	273.292	0.837	20	30		CCEDRM
CCO[N-]C(=O)CNC(=O)COc1ccc(C#N)cc1	ZINC000846499790	615357383	/nfs/dbraw/zinc/35/73/83/615357383.db2.gz	ZWVQHTUKCZEBHE-UHFFFAOYSA-N	-1	0	277.280	0.121	20	30		CCEDRM
CCO[N-]C(=O)CNC(=O)CNc1ccc(C#N)cc1	ZINC000846498804	615357562	/nfs/dbraw/zinc/35/75/62/615357562.db2.gz	SFAQNSCDASLUBR-UHFFFAOYSA-N	-1	0	276.296	0.154	20	30		CCEDRM
CC[C@@H](C#N)NS(=O)(=O)c1ccc(CC(=O)[O-])cc1	ZINC000833635886	615366222	/nfs/dbraw/zinc/36/62/22/615366222.db2.gz	BVGKLZLZSXFOCJ-JTQLQIEISA-N	-1	0	282.321	0.894	20	30		CCEDRM
CC[C@@H](CC#N)NS(=O)(=O)N=[S@@](C)(=O)CC	ZINC000867108301	615470663	/nfs/dbraw/zinc/47/06/63/615470663.db2.gz	MBNRUCZIICFAOK-AYVTZFPOSA-N	-1	0	267.376	0.631	20	30		CCEDRM
CCO[C@H]1C[C@@H]1C(=O)[N-]S(=O)(=O)CC1(C#N)CC1	ZINC000793205104	615495091	/nfs/dbraw/zinc/49/50/91/615495091.db2.gz	WLJDKYVAINXRRG-IUCAKERBSA-N	-1	0	272.326	0.161	20	30		CCEDRM
CC[C@@H](OC(=O)CCNC(=O)C1N=CC=CC1=O)C(=O)[O-]	ZINC000833646116	615543997	/nfs/dbraw/zinc/54/39/97/615543997.db2.gz	UCVVLCJQNHFDIV-JFJDQEMCSA-N	-1	0	296.279	0.309	20	30		CCEDRM
CC[C@H](C#N)NS(=O)(=O)c1ccc(C(=O)[O-])nc1	ZINC000833636413	615600039	/nfs/dbraw/zinc/60/00/39/615600039.db2.gz	QPZDHKMDACWBSN-SSDOTTSWSA-N	-1	0	269.282	0.360	20	30		CCEDRM
CCn1nc(C)c(C([O-])=C(C#N)c2ccncn2)n1	ZINC000816019068	615650605	/nfs/dbraw/zinc/65/06/05/615650605.db2.gz	YPYZFHAZCLLTCH-SECBINFHSA-N	-1	0	256.269	0.887	20	30		CCEDRM
CCn1nc(C)c(C([O-])=C(C#N)C(=O)NC(C)C)n1	ZINC000815910308	615650767	/nfs/dbraw/zinc/65/07/67/615650767.db2.gz	UPKVVFSEEODYKP-SECBINFHSA-N	-1	0	263.301	0.454	20	30		CCEDRM
CCc1cnc(Cn2c(N)nc(C#N)c2-c2nn[nH]n2)o1	ZINC000821499300	615708657	/nfs/dbraw/zinc/70/86/57/615708657.db2.gz	HYIDICQLSSYAHG-UHFFFAOYSA-N	-1	0	285.271	0.116	20	30		CCEDRM
CCn1ncn(N=Cc2cccc(OCC(=O)[O-])c2)c1=O	ZINC000814233926	615729525	/nfs/dbraw/zinc/72/95/25/615729525.db2.gz	BKLCWWVLZSPUIL-UHFFFAOYSA-N	-1	0	290.279	0.410	20	30		CCEDRM
CCc1nccn1[C@H](C)CC(=O)N[C@H]1CCN(O)C1=O	ZINC000820131487	615779443	/nfs/dbraw/zinc/77/94/43/615779443.db2.gz	ILPCANQSZOLZHS-ZJUUUORDSA-N	-1	0	280.328	0.503	20	30		CCEDRM
CC[C@H](NC(=O)[O-])C(=O)N1CCSC[C@H]1C#N	ZINC000833864515	615804619	/nfs/dbraw/zinc/80/46/19/615804619.db2.gz	OPPWKZSXXXYYRV-SFYZADRCSA-N	-1	0	257.315	0.500	20	30		CCEDRM
CC[C@H](NN=C1C(=O)Nc2cc(O)c(F)cc21)C(=O)[O-]	ZINC000834981316	615819912	/nfs/dbraw/zinc/81/99/12/615819912.db2.gz	MITPJBADGBPCBQ-ZETCQYMHSA-N	-1	0	281.243	0.640	20	30		CCEDRM
CCn1cc(C([O-])=C(C#N)C(=O)NCCOC)c(C)n1	ZINC000860470335	615962322	/nfs/dbraw/zinc/96/23/22/615962322.db2.gz	YXZSVDWMVCJZCG-JTQLQIEISA-N	-1	0	278.312	0.297	20	30		CCEDRM
CC[S@@](C)(=O)=NS(=O)(=O)[N-][C@]1(C#N)CC1(C)C	ZINC000906066133	616012713	/nfs/dbraw/zinc/01/27/13/616012713.db2.gz	GWJLDPBVYVGNEN-XXFAHNHDSA-N	-1	0	279.387	0.631	20	30		CCEDRM
CN(CC(=O)[O-])C(=O)[C@](C)(C#N)CC(=O)OC(C)(C)C	ZINC000820562634	616049764	/nfs/dbraw/zinc/04/97/64/616049764.db2.gz	NYBOHNJAUGFJMQ-ZDUSSCGKSA-N	-1	0	284.312	0.791	20	30		CCEDRM
CN1CCC[C@H](N[C@@H](C(=O)[O-])c2cccc(C#N)c2)C1=O	ZINC000830934304	616208502	/nfs/dbraw/zinc/20/85/02/616208502.db2.gz	DZJQVWOEYHUCKQ-QWHCGFSZSA-N	-1	0	287.319	0.894	20	30		CCEDRM
CN1CCCc2cc(C=Nn3c(=O)[n-][nH]c3=O)ccc21	ZINC000814232063	616219573	/nfs/dbraw/zinc/21/95/73/616219573.db2.gz	LJORZAPISKDSHL-UHFFFAOYSA-N	-1	0	273.296	0.954	20	30		CCEDRM
COC(=O)[C@@H]1CCC[C@H](C(=O)N(CC#N)CC(=O)[O-])C1	ZINC000831100936	616295392	/nfs/dbraw/zinc/29/53/92/616295392.db2.gz	SKJLVNOVSQWLPZ-VHSXEESVSA-N	-1	0	282.296	0.403	20	30		CCEDRM
COCCNC(=O)CN[C@H](C(=O)[O-])c1cccc(C#N)c1	ZINC000831753042	616487585	/nfs/dbraw/zinc/48/75/85/616487585.db2.gz	KZCRSNCQZNJXGF-ZDUSSCGKSA-N	-1	0	291.307	0.036	20	30		CCEDRM
COCCNC(=O)C(C#N)=C([O-])c1ccnc2ccncc21	ZINC000810529408	616496692	/nfs/dbraw/zinc/49/66/92/616496692.db2.gz	GCFNAFCFRYKYMY-LLVKDONJSA-N	-1	0	298.302	0.715	20	30		CCEDRM
COC1CC(C(=O)[N-]S(=O)(=O)CC2(C#N)CCC2)C1	ZINC000860669162	616498951	/nfs/dbraw/zinc/49/89/51/616498951.db2.gz	ASSWUFNISGPVBO-UHFFFAOYSA-N	-1	0	286.353	0.551	20	30		CCEDRM
COCC#CCN1c2ccccc2C([O-])=CS1(=O)=O	ZINC000902660073	616528092	/nfs/dbraw/zinc/52/80/92/616528092.db2.gz	FPUIINKJPBWYJO-UHFFFAOYSA-N	-1	0	279.317	0.669	20	30		CCEDRM
COC(=O)[C@H](CC(=O)[O-])NC(=O)c1cc(C#N)cs1	ZINC000831065641	616588765	/nfs/dbraw/zinc/58/87/65/616588765.db2.gz	FQJDNEVUEYHMFS-ZETCQYMHSA-N	-1	0	282.277	0.366	20	30		CCEDRM
COC[C@H](OC)C(=O)[N-]S(=O)(=O)c1cccc(C#N)c1	ZINC000850739422	616755209	/nfs/dbraw/zinc/75/52/09/616755209.db2.gz	JJFPGKRFKYORLS-NSHDSACASA-N	-1	0	298.320	0.025	20	30		CCEDRM
CNC(=O)C(C#N)=C([O-])c1ccc2c(c1)NC(=O)CS2	ZINC000917001913	616777971	/nfs/dbraw/zinc/77/79/71/616777971.db2.gz	GILFJQHDKSVUOB-QMMMGPOBSA-N	-1	0	289.316	0.799	20	30		CCEDRM
COC[C@](C)(C#N)NC(=O)CN(CC1CC1)C(=O)[O-]	ZINC000828885613	616816433	/nfs/dbraw/zinc/81/64/33/616816433.db2.gz	JJTZIGRWGKFIOU-LBPRGKRZSA-N	-1	0	269.301	0.421	20	30		CCEDRM
COC[C@](C)(C#N)NC(=O)c1ccnc(C(=O)[O-])c1	ZINC000831540834	616817189	/nfs/dbraw/zinc/81/71/89/616817189.db2.gz	FFGMUUVADXPTPL-LBPRGKRZSA-N	-1	0	263.253	0.438	20	30		CCEDRM
COC[C@@H](C)NC(=S)NN=Cc1ccc(C(=O)[O-])nc1	ZINC000901138760	616827515	/nfs/dbraw/zinc/82/75/15/616827515.db2.gz	SWJSKTBKOBHBBM-MRVPVSSYSA-N	-1	0	296.352	0.613	20	30		CCEDRM
COCCC(=O)Cn1cc(C(=O)[O-])cc(C#N)c1=O	ZINC000831671490	616827638	/nfs/dbraw/zinc/82/76/38/616827638.db2.gz	XUIHQNUWQPQRJL-UHFFFAOYSA-N	-1	0	264.237	0.024	20	30		CCEDRM
COC[C@](C)(NC(=O)Cc1noc(C)c1C#N)C(=O)[O-]	ZINC000833720784	616828713	/nfs/dbraw/zinc/82/87/13/616828713.db2.gz	GNBLWANGAMFGBN-LBPRGKRZSA-N	-1	0	281.268	0.003	20	30		CCEDRM
COC[C@@H](C)[C@@H](C)C(=O)[N-]S(=O)(=O)CC(C)(C)C#N	ZINC000813081540	616840855	/nfs/dbraw/zinc/84/08/55/616840855.db2.gz	ORPKELANTRQBLC-NXEZZACHSA-N	-1	0	290.385	0.901	20	30		CCEDRM
COCCCNC(=O)C(C#N)=C([O-])c1cc(OC)ccn1	ZINC000842681836	616898460	/nfs/dbraw/zinc/89/84/60/616898460.db2.gz	UHJSIVKVMHFVLB-NSHDSACASA-N	-1	0	291.307	0.565	20	30		CCEDRM
COCCCNC(=S)NN=Cc1c[nH]c(C(=O)[O-])c1	ZINC000814735047	616906024	/nfs/dbraw/zinc/90/60/24/616906024.db2.gz	ZVQQAHPWIACSJB-UHFFFAOYSA-N	-1	0	284.341	0.547	20	30		CCEDRM
COCc1noc(COC(=O)[C@@](C)(C#N)CC(=O)[O-])n1	ZINC000820749765	616979729	/nfs/dbraw/zinc/97/97/29/616979729.db2.gz	ZCQOXMYUSFQIBG-LLVKDONJSA-N	-1	0	283.240	0.264	20	30		CCEDRM
COCCN(CC(=O)[O-])C(=O)Cc1ccccc1CC#N	ZINC000820718702	616980669	/nfs/dbraw/zinc/98/06/69/616980669.db2.gz	AJVVFUKLEBGJQR-UHFFFAOYSA-N	-1	0	290.319	0.855	20	30		CCEDRM
COC[C@@](C)(C#N)NC(=O)c1cccc(C(=O)[O-])n1	ZINC000831541295	617012209	/nfs/dbraw/zinc/01/22/09/617012209.db2.gz	RQPROJLENCXFTK-GFCCVEGCSA-N	-1	0	263.253	0.438	20	30		CCEDRM
COC[C@@](C)(NC(=O)NCC#Cc1ccccc1)C(=O)[O-]	ZINC000908768393	617021680	/nfs/dbraw/zinc/02/16/80/617021680.db2.gz	IJXFQXYLJLTGCQ-OAHLLOKOSA-N	-1	0	290.319	0.827	20	30		CCEDRM
N#Cc1c(F)cccc1S(=O)(=O)NC1(C(=O)[O-])CC1	ZINC000203648369	625557111	/nfs/dbraw/zinc/55/71/11/625557111.db2.gz	KFRRSQSITRGWTF-UHFFFAOYSA-N	-1	0	284.268	0.593	20	30		CCEDRM
CC(=O)c1cc(C(=O)[N-]S(=O)(=O)N2CCCC2)n(C)c1	ZINC000052793505	623061009	/nfs/dbraw/zinc/06/10/09/623061009.db2.gz	HELISZADTVLBLQ-UHFFFAOYSA-N	-1	0	299.352	0.873	20	30		CCEDRM
N#Cc1cc(O)cc(C(=O)N2CC[C@@H](O)[C@@H](F)C2)c1	ZINC000890693194	624563649	/nfs/dbraw/zinc/56/36/49/624563649.db2.gz	ZYNIGLYGFFHCDW-NWDGAFQWSA-N	-1	0	264.256	0.809	20	30		CCEDRM
CC(C)(C)[C@@H](C(=O)[O-])C(=O)N1CCN(CCC#N)CC1	ZINC000902489177	634397427	/nfs/dbraw/zinc/39/74/27/634397427.db2.gz	LBLZBJQYGPQNPO-LLVKDONJSA-N	-1	0	281.356	0.791	20	30		CCEDRM
CON=Cc1ccc(C(=O)[N-]S(C)(=O)=O)cc1	ZINC000255428552	625017571	/nfs/dbraw/zinc/01/75/71/625017571.db2.gz	CRDHNXAEUHSBRV-UHFFFAOYSA-N	-1	0	256.283	0.356	20	30		CCEDRM
CSc1ccc(CNC(=O)COCC(=O)[O-])cc1C#N	ZINC000902731881	634447657	/nfs/dbraw/zinc/44/76/57/634447657.db2.gz	RTGKMIAVVKJTPM-UHFFFAOYSA-N	-1	0	294.332	0.998	20	30		CCEDRM
CC#CC[C@H](NS(=O)(=O)CC1(F)CCC1)C(=O)[O-]	ZINC000903832657	634662170	/nfs/dbraw/zinc/66/21/70/634662170.db2.gz	CJAZHZIWKZRCJN-VIFPVBQESA-N	-1	0	277.317	0.665	20	30		CCEDRM
C#CCO[C@@H](C)C(=O)[N-]S(=O)(=O)CCCC(C)(F)F	ZINC000893802814	631462499	/nfs/dbraw/zinc/46/24/99/631462499.db2.gz	XRAZAUZEUCEVKA-VIFPVBQESA-N	-1	0	297.323	0.906	20	30		CCEDRM
C#CCCOC(=O)c1coc(S(=O)(=O)NC)c1	ZINC000165716222	631934298	/nfs/dbraw/zinc/93/42/98/631934298.db2.gz	RXNUVJNRZRPXOE-UHFFFAOYSA-N	-1	0	257.267	0.368	20	30		CCEDRM
COc1cncc(CN[C@@H]2CCCN(O)C2=O)c1	ZINC000895158353	631992606	/nfs/dbraw/zinc/99/26/06/631992606.db2.gz	YTJQXIGXFKCGLI-LLVKDONJSA-N	-1	0	251.286	0.560	20	30		CCEDRM
Cc1ccc(S(=O)(=O)N(C)[C@H](C)C(=O)[O-])c(C#N)c1	ZINC000871635890	632665926	/nfs/dbraw/zinc/66/59/26/632665926.db2.gz	AABXWSIFJCHOJO-SECBINFHSA-N	-1	0	282.321	0.960	20	30		CCEDRM
C#CC[N@@H+]1CC[C@]2(NC(=O)c3[nH]nc(C)c3[O-])CCC[C@H]12	ZINC000990264348	633499205	/nfs/dbraw/zinc/49/92/05/633499205.db2.gz	GGWMWLPSYMYNNI-XHDPSFHLSA-N	-1	0	288.351	0.784	20	30		CCEDRM
C=C1CN(C(=O)C(C)(C)[N-]C(=O)C(F)(F)F)C1	ZINC000898700590	633649494	/nfs/dbraw/zinc/64/94/94/633649494.db2.gz	BZMXOITYIHLKEY-UHFFFAOYSA-N	-1	0	250.220	0.842	20	30		CCEDRM
Cc1ccc(C#N)nc1N1C[C@@H]2COC[C@]2(C(=O)[O-])C1	ZINC000900961537	634134720	/nfs/dbraw/zinc/13/47/20/634134720.db2.gz	HBOVBAISDIKPLK-QMTHXVAHSA-N	-1	0	273.292	0.799	20	30		CCEDRM
C[C@@H]1Cc2cc(C=Nn3c(=O)[n-][nH]c3=O)ccc2O1	ZINC000901245472	634214582	/nfs/dbraw/zinc/21/45/82/634214582.db2.gz	IQLFFLMSKGMWEZ-SSDOTTSWSA-N	-1	0	260.253	0.895	20	30		CCEDRM
N#CCc1ccsc1C(=O)NCCOCC(=O)[O-]	ZINC000902285375	634352052	/nfs/dbraw/zinc/35/20/52/634352052.db2.gz	FEHCCGUOZIZSQG-UHFFFAOYSA-N	-1	0	268.294	0.645	20	30		CCEDRM
N#CC1(CC(=O)N2CCSC[C@H]2c2nnn[n-]2)CC1	ZINC000907481328	635142884	/nfs/dbraw/zinc/14/28/84/635142884.db2.gz	VTVSUXOQUOXWGP-QMMMGPOBSA-N	-1	0	278.341	0.510	20	30		CCEDRM
C#Cc1cncc(C(=O)N2C[C@@H](F)C[C@H]2C(=O)[O-])c1	ZINC000910440682	635766510	/nfs/dbraw/zinc/76/65/10/635766510.db2.gz	FGYCKHMIKAHJTR-QWRGUYRKSA-N	-1	0	262.240	0.700	20	30		CCEDRM
CC#CCN(C)C(=O)CCCn1ccc(C(=O)[O-])n1	ZINC000911701918	636355373	/nfs/dbraw/zinc/35/53/73/636355373.db2.gz	BPRDKWJLSPDOIP-UHFFFAOYSA-N	-1	0	263.297	0.843	20	30		CCEDRM
COCCNC(=O)C(C#N)=C([O-])c1ccc(F)cc1	ZINC000193410728	637736463	/nfs/dbraw/zinc/73/64/63/637736463.db2.gz	LGMJYMREPCXDME-LLVKDONJSA-N	-1	0	264.256	0.911	20	30		CCEDRM
C#CCOCCC(=O)Nc1cc(C(=O)OCC)n[nH]1	ZINC000183288297	638540610	/nfs/dbraw/zinc/54/06/10/638540610.db2.gz	RVQMKOPNQPQZEE-UHFFFAOYSA-N	-1	0	265.269	0.565	20	30		CCEDRM
Cc1n[nH]c(C(=O)N[C@@H]2CCN(CC#N)C[C@@H]2C)c1[O-]	ZINC000941960312	638590468	/nfs/dbraw/zinc/59/04/68/638590468.db2.gz	VIIUPOXJJWLSGF-WCBMZHEXSA-N	-1	0	277.328	0.388	20	30		CCEDRM
Cc1ncc(Cl)c(C(=O)N[C@H]2CCN(O)C2=O)n1	ZINC000820156834	638865372	/nfs/dbraw/zinc/86/53/72/638865372.db2.gz	OMFZTUAMRGIDNM-ZETCQYMHSA-N	-1	0	270.676	0.158	20	30		CCEDRM
N#C[C@]1(C(=O)NC[C@H](CC2CC2)C(=O)[O-])CCCOC1	ZINC000923086376	640018824	/nfs/dbraw/zinc/01/88/24/640018824.db2.gz	KZRIGZUGCAHILN-SMDDNHRTSA-N	-1	0	280.324	0.924	20	30		CCEDRM
N#C[C@@]1(C(=O)N2CCSC[C@@H](C(=O)[O-])C2)CCCOC1	ZINC000923101368	640022435	/nfs/dbraw/zinc/02/24/35/640022435.db2.gz	ICCYFCZTNLOTTP-GWCFXTLKSA-N	-1	0	298.364	0.583	20	30		CCEDRM
C#CCCCC(=O)[N-]S(=O)(=O)c1ccc2n[nH]nc2c1	ZINC000838915655	640278782	/nfs/dbraw/zinc/27/87/82/640278782.db2.gz	WIKWHCALSSRTJT-UHFFFAOYSA-N	-1	0	292.320	0.566	20	30		CCEDRM
CC#CCS(=O)(=O)[N-]C(=O)c1cn(C)nc1C1CC1	ZINC000810777105	640447306	/nfs/dbraw/zinc/44/73/06/640447306.db2.gz	ABXHETSVBBZTBX-UHFFFAOYSA-N	-1	0	281.337	0.380	20	30		CCEDRM
C#CCCCC(=O)[N-]S(=O)(=O)[C@H](C)[C@@H](C)C(=O)OC	ZINC000802162889	640688037	/nfs/dbraw/zinc/68/80/37/640688037.db2.gz	DETLCMILVFMYLZ-NXEZZACHSA-N	-1	0	289.353	0.434	20	30		CCEDRM
COc1cc[nH]c(=N[N-]S(=O)(=O)c2ccc(C#N)o2)n1	ZINC000808075676	640847239	/nfs/dbraw/zinc/84/72/39/640847239.db2.gz	WQKGIOUOZDHKBM-UHFFFAOYSA-N	-1	0	295.280	0.255	20	30		CCEDRM
O=c1[n-][nH]c(=O)n1N=Cc1ncccc1C(F)(F)F	ZINC000814231332	641061353	/nfs/dbraw/zinc/06/13/53/641061353.db2.gz	CXXBRVDKKZYSJU-UHFFFAOYSA-N	-1	0	273.174	0.985	20	30		CCEDRM
Cc1cc(C=Nn2c(=O)[n-][nH]c2=O)cnc1Cl	ZINC000814231518	641061456	/nfs/dbraw/zinc/06/14/56/641061456.db2.gz	HUHQBQITRIQVOQ-UHFFFAOYSA-N	-1	0	253.649	0.928	20	30		CCEDRM
Cc1c(C)c(O)c(C=Nn2c(=O)[n-][nH]c2=O)c(C)c1O	ZINC000814232791	641061923	/nfs/dbraw/zinc/06/19/23/641061923.db2.gz	MIEFMQCQZRECAS-UHFFFAOYSA-N	-1	0	278.268	0.908	20	30		CCEDRM
Cc1ccc(C=Nn2c(=O)[n-][nH]c2=O)cc1[N+](=O)[O-]	ZINC000814233148	641062051	/nfs/dbraw/zinc/06/20/51/641062051.db2.gz	CUXCLEBLNOSHPC-UHFFFAOYSA-N	-1	0	263.213	0.788	20	30		CCEDRM
Cc1nn(CC(=O)OC(C)C)c(C)c1C=NNCC(=O)[O-]	ZINC000814959214	641084336	/nfs/dbraw/zinc/08/43/36/641084336.db2.gz	UNYIWHZKQAOZIW-UHFFFAOYSA-N	-1	0	296.327	0.460	20	30		CCEDRM
C[C@@H](O)CNN=Cc1ccccc1OCC(=O)[O-]	ZINC000814961647	641086148	/nfs/dbraw/zinc/08/61/48/641086148.db2.gz	OTGYABFBHLRKPA-SECBINFHSA-N	-1	0	252.270	0.454	20	30		CCEDRM
N#CC1(CC(=O)[N-]S(=O)(=O)[C@@H]2CCCOC2)CC1	ZINC000816009778	641136188	/nfs/dbraw/zinc/13/61/88/641136188.db2.gz	MLWVCOBOWVLSLT-SECBINFHSA-N	-1	0	272.326	0.305	20	30		CCEDRM
N#CC1(CC(=O)[N-]S(=O)(=O)c2ncccc2F)CC1	ZINC000816043510	641138275	/nfs/dbraw/zinc/13/82/75/641138275.db2.gz	WQNGRFKHMQDALA-UHFFFAOYSA-N	-1	0	283.284	0.719	20	30		CCEDRM
C[C@@]1(C(=O)N[C@@H]2CCN(O)C2=O)CCc2ccccc21	ZINC000820131529	641464893	/nfs/dbraw/zinc/46/48/93/641464893.db2.gz	JGJCMKUMZMKNPM-IUODEOHRSA-N	-1	0	274.320	0.997	20	30		CCEDRM
Cc1nn(C)c(C)c1CCC(=O)[N-]S(=O)(=O)CCC#N	ZINC000821582478	641610108	/nfs/dbraw/zinc/61/01/08/641610108.db2.gz	OLSHEAIAPJQVNT-UHFFFAOYSA-N	-1	0	298.368	0.329	20	30		CCEDRM
Cc1c(C(=O)[N-]S(=O)(=O)CCC#N)cccc1[N+](=O)[O-]	ZINC000821583918	641611334	/nfs/dbraw/zinc/61/13/34/641611334.db2.gz	LIKBCTSLEUUPQT-UHFFFAOYSA-N	-1	0	297.292	0.877	20	30		CCEDRM
Cc1[nH]cnc1C=Nn1c(C)cc(C)c(-c2nnn[n-]2)c1=O	ZINC000826265054	641922203	/nfs/dbraw/zinc/92/22/03/641922203.db2.gz	KSNZETVNMDRWIB-UHFFFAOYSA-N	-1	0	298.310	0.559	20	30		CCEDRM
N#Cc1c(-c2nnn[n-]2)ncn1Cc1ccccc1C#N	ZINC000826387447	641933280	/nfs/dbraw/zinc/93/32/80/641933280.db2.gz	VSPONUKQRNAVIT-UHFFFAOYSA-N	-1	0	276.263	0.855	20	30		CCEDRM
C#C[C@H](NC(=O)c1ccc2oc(=O)nc-2[n-]1)[C@@H]1CCCO1	ZINC000832416815	642478007	/nfs/dbraw/zinc/47/80/07/642478007.db2.gz	AJYTXUDNZUEBRS-WPRPVWTQSA-N	-1	0	287.275	0.839	20	30		CCEDRM
C#CCO[C@@H](C)C(=O)[N-]S(=O)(=O)c1ccc(OC)cc1	ZINC000835038056	642646242	/nfs/dbraw/zinc/64/62/42/642646242.db2.gz	RWXZVDRQILOGRT-JTQLQIEISA-N	-1	0	297.332	0.538	20	30		CCEDRM
C#CCO[C@@H](C)C(=O)[N-]S(=O)(=O)c1cc(C)ccn1	ZINC000835161488	642650811	/nfs/dbraw/zinc/65/08/11/642650811.db2.gz	QZVJYZONNZEAEZ-JTQLQIEISA-N	-1	0	282.321	0.233	20	30		CCEDRM
C#CCO[C@@H](C)C(=O)[N-]S(=O)(=O)C[C@@H](C)CCC	ZINC000835156853	642650857	/nfs/dbraw/zinc/65/08/57/642650857.db2.gz	RLEHKCBRFVQIEK-QWRGUYRKSA-N	-1	0	275.370	0.907	20	30		CCEDRM
C[C@@H](O)CN(C)N=Cc1ccc([O-])c([N+](=O)[O-])c1	ZINC000841655297	642827085	/nfs/dbraw/zinc/82/70/85/642827085.db2.gz	WWRBNYRDDXJBET-MRVPVSSYSA-N	-1	0	253.258	0.947	20	30		CCEDRM
CC#CCS(=O)(=O)[N-]C(=O)c1cnc(C(C)=O)s1	ZINC000842347141	642892554	/nfs/dbraw/zinc/89/25/54/642892554.db2.gz	OIZWLNWNPPUNIA-UHFFFAOYSA-N	-1	0	286.334	0.429	20	30		CCEDRM
C[C@H](CO)N(C)N=Cc1cc([N+](=O)[O-])ccc1[O-]	ZINC000842545072	642910433	/nfs/dbraw/zinc/91/04/33/642910433.db2.gz	OBRFINLPAZLLIM-MRVPVSSYSA-N	-1	0	253.258	0.947	20	30		CCEDRM
CC#CCN1C[C@H]2CC[C@@H](C1)N2C(=O)c1n[nH]c(C)c1[O-]	ZINC001017479856	650804821	/nfs/dbraw/zinc/80/48/21/650804821.db2.gz	FRVNJBLECJLJLD-TXEJJXNPSA-N	-1	0	288.351	0.736	20	30		CCEDRM
N#Cc1ccc(C(=O)N2CCC[C@H](c3n[nH]c(=O)[n-]3)C2)o1	ZINC000843878575	643122265	/nfs/dbraw/zinc/12/22/65/643122265.db2.gz	OALYQCBCXIZUQT-QMMMGPOBSA-N	-1	0	287.279	0.995	20	30		CCEDRM
C#CC[C@H]1CCCN(C(=O)c2c[n-]n3c2nccc3=O)C1	ZINC000844004600	643142279	/nfs/dbraw/zinc/14/22/79/643142279.db2.gz	CWAMIRJLYFNFRR-NSHDSACASA-N	-1	0	284.319	0.898	20	30		CCEDRM
C[C@H](CCNS(=O)(=O)N(C)[C@H](C)CC#N)C(=O)[O-]	ZINC000844785787	643248381	/nfs/dbraw/zinc/24/83/81/643248381.db2.gz	NDWXUKGAMBNMML-RKDXNWHRSA-N	-1	0	277.346	0.166	20	30		CCEDRM
C[C@H](CC(=O)[N-]S(=O)(=O)CC(C)(C)C#N)n1ccnc1	ZINC000845500764	643323305	/nfs/dbraw/zinc/32/33/05/643323305.db2.gz	BLFWWHQOOAPDBR-SNVBAGLBSA-N	-1	0	298.368	0.830	20	30		CCEDRM
N#CC(C(=O)N1CCCC1)=C([O-])c1cnc2n1CCC2	ZINC000850752084	643811132	/nfs/dbraw/zinc/81/11/32/643811132.db2.gz	KQPGVBMTLBGKLR-SNVBAGLBSA-N	-1	0	272.308	0.774	20	30		CCEDRM
N#CC(C(=O)NC1CC1)=C([O-])c1cnc2n1CCC2	ZINC000850759851	643811369	/nfs/dbraw/zinc/81/13/69/643811369.db2.gz	RQTQMFGFRDEHJP-VIFPVBQESA-N	-1	0	258.281	0.430	20	30		CCEDRM
Cn1ccnc1C([O-])=C(C#N)C(=O)[C@H]1[C@@H]2COC[C@@H]21	ZINC000850898861	643820577	/nfs/dbraw/zinc/82/05/77/643820577.db2.gz	MOJOHGBTZWBPSY-IMSYWVGJSA-N	-1	0	259.265	0.204	20	30		CCEDRM
CS(=O)(=O)CCNN=Cc1ccc(C(=O)[O-])c(F)c1	ZINC000853308149	644096815	/nfs/dbraw/zinc/09/68/15/644096815.db2.gz	YLHXINSGEURBGV-UHFFFAOYSA-N	-1	0	288.300	0.492	20	30		CCEDRM
C[C@]1([N-]C(=O)C(F)(F)F)CCN(c2cc(C#N)ncn2)C1	ZINC000866282484	645513359	/nfs/dbraw/zinc/51/33/59/645513359.db2.gz	KROPYYJMNHRVKX-NSHDSACASA-N	-1	0	299.256	0.996	20	30		CCEDRM
N#CCc1ccsc1C(=O)N1CCO[C@H](C(=O)[O-])C1	ZINC000868436315	645767375	/nfs/dbraw/zinc/76/73/75/645767375.db2.gz	OLQZHDRZUVXYKQ-VIFPVBQESA-N	-1	0	280.305	0.740	20	30		CCEDRM
N#Cc1cccc(O[N-]C(=O)[C@@H]2CCCS2(=O)=O)c1	ZINC000870690263	646017691	/nfs/dbraw/zinc/01/76/91/646017691.db2.gz	LJRBVAHDYDMJSB-NSHDSACASA-N	-1	0	280.305	0.545	20	30		CCEDRM
Cc1cccc(C#N)c1S(=O)(=O)N1CC(C(=O)[O-])C1	ZINC000871768301	646178973	/nfs/dbraw/zinc/17/89/73/646178973.db2.gz	PLMWMUDAKQFMOU-UHFFFAOYSA-N	-1	0	280.305	0.572	20	30		CCEDRM
N#CCN(C1CC1)S(=O)(=O)c1cccc(CC(=O)[O-])c1	ZINC000871840458	646191742	/nfs/dbraw/zinc/19/17/42/646191742.db2.gz	GIMFGMJKZGUWFA-UHFFFAOYSA-N	-1	0	294.332	0.990	20	30		CCEDRM
N#CCCn1[n-]c2c(c1=O)CN(Cc1ccccc1)C2=O	ZINC000871942036	646196550	/nfs/dbraw/zinc/19/65/50/646196550.db2.gz	MRPOABPNMUMILZ-GFCCVEGCSA-N	-1	0	282.303	0.757	20	30		CCEDRM
O=c1cn[nH]c(=S)n1N=Cc1ccnn1CC1CCC1	ZINC000872371960	646251805	/nfs/dbraw/zinc/25/18/05/646251805.db2.gz	RRBLVOWTGMZYIM-UHFFFAOYSA-N	-1	0	290.352	0.806	20	30		CCEDRM
Cn1cc(S(=O)(=O)[N-]C(=O)CC2CCC2)cc1C(N)=O	ZINC000076762365	649394342	/nfs/dbraw/zinc/39/43/42/649394342.db2.gz	WDQSIUZELKOPAD-UHFFFAOYSA-N	-1	0	299.352	0.959	20	30		CCEDRM
CC(C)n1cc(C(=O)[N-]S(=O)(=O)CCCC#N)cn1	ZINC000191617409	649484767	/nfs/dbraw/zinc/48/47/67/649484767.db2.gz	YTINZFQILRCPSQ-UHFFFAOYSA-N	-1	0	284.341	0.827	20	30		CCEDRM
COCCNC(=O)C(C#N)=C([O-])c1cccs1	ZINC000193412074	649537285	/nfs/dbraw/zinc/53/72/85/649537285.db2.gz	JBNIWJMXDNUCBQ-MRVPVSSYSA-N	-1	0	252.295	0.833	20	30		CCEDRM
COCCNC(=O)C(C#N)=C([O-])c1ccc(C)n1C	ZINC000193422905	649537620	/nfs/dbraw/zinc/53/76/20/649537620.db2.gz	RWCJSTYZSIJHGW-JTQLQIEISA-N	-1	0	263.297	0.419	20	30		CCEDRM
COCCNC(=O)C(C#N)=C([O-])c1cnn(C(C)(C)C)c1	ZINC000193427166	649538306	/nfs/dbraw/zinc/53/83/06/649538306.db2.gz	RUQPIHZAASYGIE-LLVKDONJSA-N	-1	0	292.339	0.723	20	30		CCEDRM
C=CCN(CC(=O)[O-])C(=O)[C@H](C)NC(=O)C(C)(C)C	ZINC000092461844	649723812	/nfs/dbraw/zinc/72/38/12/649723812.db2.gz	DEQPFQZEGMSFQD-VIFPVBQESA-N	-1	0	270.329	0.636	20	30		CCEDRM
C#CCN(CC#CC)S(=O)(=O)c1occc1C(=O)[O-]	ZINC000723236392	791181905	/nfs/dbraw/zinc/18/19/05/791181905.db2.gz	OIVWUNCVSDPEFW-UHFFFAOYSA-N	-1	0	281.289	0.625	20	30		CCEDRM
C#CC[N@H+](C)CCCNC(=O)[C@@H]1CC[C@@H]1C(=O)[O-]	ZINC000397028895	790623758	/nfs/dbraw/zinc/62/37/58/790623758.db2.gz	AKMKVUTVPSFCGW-MNOVXSKESA-N	-1	0	252.314	0.169	20	30		CCEDRM
C=C[C@H](Oc1nc(=O)[n-]c(Cl)c1[N+](=O)[O-])C(=O)OC	ZINC001231077512	805726043	/nfs/dbraw/zinc/72/60/43/805726043.db2.gz	WJMHHCWTRMRLLT-BYPYZUCNSA-N	-1	0	289.631	0.850	20	30		CCEDRM
N#C[C@@H]1COCCN1Cc1ccccc1OCC(=O)[O-]	ZINC001231794147	805856297	/nfs/dbraw/zinc/85/62/97/805856297.db2.gz	VTNZYQLVJCLUBW-GFCCVEGCSA-N	-1	0	276.292	0.874	20	30		CCEDRM
COc1cc(C(=O)[O-])cc(-n2nc(N)c(C#N)c2N)c1	ZINC001213586801	791310972	/nfs/dbraw/zinc/31/09/72/791310972.db2.gz	NUOVDMFLIPGORE-UHFFFAOYSA-N	-1	0	273.252	0.615	20	30		CCEDRM
Cc1cccc(OCC(=O)[N-]S(=O)(=O)CCC#N)c1	ZINC000835412209	791705957	/nfs/dbraw/zinc/70/59/57/791705957.db2.gz	CKTDVPDHKXQZIW-UHFFFAOYSA-N	-1	0	282.321	0.734	20	30		CCEDRM
N#Cc1nc2cc(OC(=O)[C@@H](O)CC(=O)[O-])ccc2s1	ZINC001233698009	806108784	/nfs/dbraw/zinc/10/87/84/806108784.db2.gz	LZLOSXSOFFMKGV-QMMMGPOBSA-N	-1	0	292.272	0.909	20	30		CCEDRM
CCC[C@@H](C)N(C)c1[n-]c(=O)n(C)c(=O)c1C#N	ZINC001120803880	798940717	/nfs/dbraw/zinc/94/07/17/798940717.db2.gz	AHLQAGBJQWQBLZ-MRVPVSSYSA-N	-1	0	250.302	0.570	20	30		CCEDRM
CCCC1(CNc2[n-]c(=O)n(C)c(=O)c2C#N)CC1	ZINC001120908918	798959701	/nfs/dbraw/zinc/95/97/01/798959701.db2.gz	AZELJZBBWIKNAT-UHFFFAOYSA-N	-1	0	262.313	0.937	20	30		CCEDRM
C=CCn1c(-c2cc(=O)[nH][n-]2)nnc1N1CC[C@H](C)[C@H]1C	ZINC001121561373	799057371	/nfs/dbraw/zinc/05/73/71/799057371.db2.gz	AYVWBFLZMDUPDJ-VHSXEESVSA-N	-1	0	288.355	0.923	20	30		CCEDRM
C=CCn1c(-c2noc(=O)[nH]2)nnc1N1CCC[C@@H]1C	ZINC001121579087	799058536	/nfs/dbraw/zinc/05/85/36/799058536.db2.gz	MKXQPFXREOPPKT-QMMMGPOBSA-N	-1	0	276.300	0.796	20	30		CCEDRM
CC(=O)c1cncc(C([O-])=C(C#N)C(=O)NC2CC2)c1	ZINC001122428304	799232904	/nfs/dbraw/zinc/23/29/04/799232904.db2.gz	WSGGFPXBKFJJBW-LBPRGKRZSA-N	-1	0	271.276	0.885	20	30		CCEDRM
C=CCCn1cc(C([O-])=C(C#N)C(=O)NC2CC2)nn1	ZINC001122512824	799254535	/nfs/dbraw/zinc/25/45/35/799254535.db2.gz	ODDFZLZUPANLNU-JTQLQIEISA-N	-1	0	273.296	0.455	20	30		CCEDRM
CNC(=O)C(C#N)=C([O-])c1cccc(N2CCOC2=O)c1	ZINC001122625048	799277877	/nfs/dbraw/zinc/27/78/77/799277877.db2.gz	LGOXFDWOTCYTAJ-LLVKDONJSA-N	-1	0	287.275	0.712	20	30		CCEDRM
C#Cc1cncc(C(=O)NC[C@H](C(=O)[O-])[C@H]2CCOC2)c1	ZINC001123295818	799385910	/nfs/dbraw/zinc/38/59/10/799385910.db2.gz	GPGXNMJJZOIPLW-AAEUAGOBSA-N	-1	0	288.303	0.530	20	30		CCEDRM
C=CCCOCC(=O)NC[C@@H](C(=O)[O-])[C@@H]1CCOC1	ZINC001123400365	799406160	/nfs/dbraw/zinc/40/61/60/799406160.db2.gz	VVULHSHSOQITLJ-GHMZBOCLSA-N	-1	0	271.313	0.433	20	30		CCEDRM
C=C(CC)C(=O)N1CCSC[C@H]1c1nnn[n-]1	ZINC001123790228	799475059	/nfs/dbraw/zinc/47/50/59/799475059.db2.gz	QYSLTTSIGDQHQY-QMMMGPOBSA-N	-1	0	253.331	0.782	20	30		CCEDRM
CC(C)(C#N)CC(=O)N1CCC[C@H](c2nnn[n-]2)C1	ZINC001137730207	799684765	/nfs/dbraw/zinc/68/47/65/799684765.db2.gz	CMRPQBSFVOQUPA-VIFPVBQESA-N	-1	0	262.317	0.846	20	30		CCEDRM
C=C[C@@H]1OCC[C@H]1NC(=O)[C@@](C)(C#N)CC(=O)[O-]	ZINC001588478744	969884331	/nfs/dbraw/zinc/88/43/31/969884331.db2.gz	VGDFMOFHLKZSFQ-VDDIYKPWSA-N	-1	0	252.270	0.451	20	30		CCEDRM
N#C[C@H]1COCCN1C(=O)c1c[n-]c2cccnc2c1=O	ZINC001153855450	800679127	/nfs/dbraw/zinc/67/91/27/800679127.db2.gz	CBRIDRTZBKHCJT-VIFPVBQESA-N	-1	0	284.275	0.288	20	30		CCEDRM
N#Cc1cc(C(F)(F)N[C@@H]2CO[N-]C2=O)cnc1Cl	ZINC001156690893	801212757	/nfs/dbraw/zinc/21/27/57/801212757.db2.gz	HSRIPXCMRIOKSS-SSDOTTSWSA-N	-1	0	288.641	0.676	20	30		CCEDRM
N#Cc1nc(Cl)ccc1C(F)(F)N[C@@H]1CO[N-]C1=O	ZINC001156690982	801212789	/nfs/dbraw/zinc/21/27/89/801212789.db2.gz	IMRHICINWJVIHG-SSDOTTSWSA-N	-1	0	288.641	0.676	20	30		CCEDRM
Cc1nc(N[C@@H]2C(=O)N(S(=O)(=O)[O-])[C@H]2C)ccc1C#N	ZINC001157070219	801293571	/nfs/dbraw/zinc/29/35/71/801293571.db2.gz	BPSBFNGVVRMBSP-XVKPBYJWSA-N	-1	0	296.308	0.076	20	30		CCEDRM
CCOC(=O)CN(CCC#N)c1nccnc1CC(=O)[O-]	ZINC001157161636	801316413	/nfs/dbraw/zinc/31/64/13/801316413.db2.gz	NLSYTVYDGXPPGL-UHFFFAOYSA-N	-1	0	292.295	0.387	20	30		CCEDRM
Cc1cc(C#N)c(=O)[n-]c1C(=O)N[C@@H](C)C(C)(C)O	ZINC001158873106	801718465	/nfs/dbraw/zinc/71/84/65/801718465.db2.gz	BQYYJWYGXFYGDS-QMMMGPOBSA-N	-1	0	263.297	0.857	20	30		CCEDRM
COC(=O)n1ncc(C#N)c1[N-]c1ccc(F)c[n+]1[O-]	ZINC001158964679	801729224	/nfs/dbraw/zinc/72/92/24/801729224.db2.gz	GBXLRUFEDKQDLF-UHFFFAOYSA-N	-1	0	277.215	0.885	20	30		CCEDRM
C#CCCCNc1ccc2c(c1)S(=O)(=O)[N-]C2=O	ZINC001162448640	802341061	/nfs/dbraw/zinc/34/10/61/802341061.db2.gz	GFMKBWIYUDRACK-UHFFFAOYSA-N	-1	0	264.306	0.944	20	30		CCEDRM
C=CCS(=O)(=O)[N-]c1c(CCC)nn(C)c1C(N)=O	ZINC001259922513	808804243	/nfs/dbraw/zinc/80/42/43/808804243.db2.gz	MALXFHRXMSWJEH-UHFFFAOYSA-N	-1	0	286.357	0.399	20	30		CCEDRM
C=CCS(=O)(=O)N[C@H](C(=O)OC(C)(C)C)[C@@H](C)O	ZINC001259934011	808809233	/nfs/dbraw/zinc/80/92/33/808809233.db2.gz	BRVAMPDYNKXBSX-BDAKNGLRSA-N	-1	0	279.358	0.183	20	30		CCEDRM
N#CCOc1ccc(N[C@H]2SC(=O)[N-]C2=O)nc1	ZINC001163666304	802587605	/nfs/dbraw/zinc/58/76/05/802587605.db2.gz	SBJFJGDPOWEXHU-VIFPVBQESA-N	-1	0	264.266	0.705	20	30		CCEDRM
COC(=O)c1ccc(N[C@@H]2SC(=O)[N-]C2=O)c(C#N)n1	ZINC001163673200	802589211	/nfs/dbraw/zinc/58/92/11/802589211.db2.gz	WLEXSSMUTPRNCF-SECBINFHSA-N	-1	0	292.276	0.461	20	30		CCEDRM
N#Cc1ccnnc1NCC[N-]C(=O)C(F)(F)F	ZINC001164238338	802694257	/nfs/dbraw/zinc/69/42/57/802694257.db2.gz	UFPRQOJZEAYMMA-UHFFFAOYSA-N	-1	0	259.191	0.439	20	30		CCEDRM
N#Cc1cccc(-c2noc(-c3c[nH]c(=O)c(=O)[n-]3)n2)c1	ZINC001213928029	803706505	/nfs/dbraw/zinc/70/65/05/803706505.db2.gz	NSZIJHSGZCHPFP-UHFFFAOYSA-N	-1	0	281.231	0.652	20	30		CCEDRM
CN1C[C@@H]2CN(C(=O)CCC(=O)C3=CC=C[CH]3)C[C@H](C1)O2	ZINC001272093403	814972513	/nfs/dbraw/zinc/97/25/13/814972513.db2.gz	HJEWEDUPWDMDGF-OKILXGFUSA-N	-1	0	289.355	0.578	20	30		CCEDRM
N#Cc1ccc([N-]S(=O)(=O)c2ncc[nH]2)cc1C#N	ZINC000311712631	804280680	/nfs/dbraw/zinc/28/06/80/804280680.db2.gz	NWMVABOWVQNZAS-UHFFFAOYSA-N	-1	0	273.277	0.954	20	30		CCEDRM
C=CCC[C@H](NC(=O)CCn1ccnn1)C(=O)[O-]	ZINC000315878389	804652905	/nfs/dbraw/zinc/65/29/05/804652905.db2.gz	KATSBIWGPQWGEU-VIFPVBQESA-N	-1	0	252.274	0.204	20	30		CCEDRM
C=CCOC[C@H](CS(=O)(=O)[O-])OCc1ncccn1	ZINC001222261663	804887928	/nfs/dbraw/zinc/88/79/28/804887928.db2.gz	FIERJKUGGMFMHB-SNVBAGLBSA-N	-1	0	288.325	0.452	20	30		CCEDRM
C=CCOC[C@@H](CS(=O)(=O)[O-])OCCOCOC	ZINC001224819009	805081161	/nfs/dbraw/zinc/08/11/61/805081161.db2.gz	FUCLGIVAGZUAEI-JTQLQIEISA-N	-1	0	284.330	0.083	20	30		CCEDRM
COc1ccnc(OC(=O)[C@H](O)CCC(=O)[O-])c1C#N	ZINC001225566171	805141333	/nfs/dbraw/zinc/14/13/33/805141333.db2.gz	LMEKAMIUDDDQFK-MRVPVSSYSA-N	-1	0	280.236	0.093	20	30		CCEDRM
C=CC[C@@H](CCCC)Oc1c([O-])c(=O)c(=O)c1=O	ZINC001225829871	805167392	/nfs/dbraw/zinc/16/73/92/805167392.db2.gz	BZJWFNIOOPCTME-QMMMGPOBSA-N	-1	0	252.266	0.862	20	30		CCEDRM
N#C[C@H](Oc1c([O-])c(=O)c(=O)c1=O)c1cccc(F)c1	ZINC001225832683	805168177	/nfs/dbraw/zinc/16/81/77/805168177.db2.gz	ODTWMDHMTGIXOP-QMMMGPOBSA-N	-1	0	275.191	0.131	20	30		CCEDRM
N#C[C@@H](Oc1c([O-])c(=O)c(=O)c1=O)c1ccccc1F	ZINC001225831758	805168345	/nfs/dbraw/zinc/16/83/45/805168345.db2.gz	CCPRWHMXSGINFG-MRVPVSSYSA-N	-1	0	275.191	0.131	20	30		CCEDRM
COC(=O)C[C@H](Oc1[n-]c(=O)cc(C)c1C#N)C(=O)OC	ZINC001226222024	805207182	/nfs/dbraw/zinc/20/71/82/805207182.db2.gz	SKCJRWJFUZVBEV-VIFPVBQESA-N	-1	0	294.263	0.451	20	30		CCEDRM
CCOC(=O)C[C@@H](CC#N)Oc1ccc(=O)[nH]n1	ZINC001227095770	805322072	/nfs/dbraw/zinc/32/20/72/805322072.db2.gz	VHIIWTZVLAILTQ-MRVPVSSYSA-N	-1	0	251.242	0.796	20	30		CCEDRM
C=C[C@H](CC(=O)OC(C)(C)C)Oc1nc(=O)[n-]c(=O)[nH]1	ZINC001227566595	805365254	/nfs/dbraw/zinc/36/52/54/805365254.db2.gz	ILFQRKDXWHQWNC-SSDOTTSWSA-N	-1	0	283.284	0.948	20	30		CCEDRM
C#C[C@@H](Oc1[n-]ncc(=O)c1Cl)C(=O)OCC	ZINC001228389692	805442783	/nfs/dbraw/zinc/44/27/83/805442783.db2.gz	FDBPKMBYOPHVMF-SSDOTTSWSA-N	-1	0	256.645	0.779	20	30		CCEDRM
CC[C@H](C#CC(=O)OC)Oc1nc(OC)cc(=O)[n-]1	ZINC001228918014	805489016	/nfs/dbraw/zinc/48/90/16/805489016.db2.gz	JSKGHMSZJBKNRN-MRVPVSSYSA-N	-1	0	266.253	0.525	20	30		CCEDRM
CN1[C@@H]2C[C@@H](Oc3[nH]c(=O)[n-]c(=O)c3F)C[C@H]1[C@@H]1O[C@@H]12	ZINC001229124832	805505817	/nfs/dbraw/zinc/50/58/17/805505817.db2.gz	ONEYSPWWDCOYPK-GIBIQBGMSA-N	-1	0	283.259	0.018	20	30		CCEDRM
CCS(=O)(=O)[N-]c1c(C#N)cnn1-c1ccccn1	ZINC001253277558	808041772	/nfs/dbraw/zinc/04/17/72/808041772.db2.gz	MCWTZYAKXXTLLY-UHFFFAOYSA-N	-1	0	277.309	0.901	20	30		CCEDRM
N#Cc1ccccc1C=CC(=O)NCc1nc(=O)o[n-]1	ZINC001254033745	808169226	/nfs/dbraw/zinc/16/92/26/808169226.db2.gz	WWWNSIFMHVKETB-WAYWQWQTSA-N	-1	0	270.248	0.564	20	30		CCEDRM
Cc1noc(C)c1S(=O)(=O)[N-]c1cnc(C#N)nc1	ZINC001258531334	808693269	/nfs/dbraw/zinc/69/32/69/808693269.db2.gz	PMAXKYGCPNGXMT-UHFFFAOYSA-N	-1	0	279.281	0.754	20	30		CCEDRM
Cn1cnc(S(=O)(=O)[N-]c2c(C#N)cccc2C#N)c1	ZINC001258999179	808712311	/nfs/dbraw/zinc/71/23/11/808712311.db2.gz	RJPPPOKBFGAHHM-UHFFFAOYSA-N	-1	0	287.304	0.964	20	30		CCEDRM
COC(=O)CS(=O)(=O)[N-]c1c(F)cc(F)cc1C#N	ZINC001259025816	808722837	/nfs/dbraw/zinc/72/28/37/808722837.db2.gz	BDSZRYRIIRYQDZ-UHFFFAOYSA-N	-1	0	290.247	0.751	20	30		CCEDRM
N#Cc1cccc(S(=O)(=O)NCC[P@](=O)([O-])O)c1	ZINC001259126680	808733877	/nfs/dbraw/zinc/73/38/77/808733877.db2.gz	DENCGWOHOIIBKS-UHFFFAOYSA-N	-1	0	290.237	0.014	20	30		CCEDRM
Cn1cnc([N-]S(=O)(=O)c2ccccn2)c1C#N	ZINC001259282906	808748477	/nfs/dbraw/zinc/74/84/77/808748477.db2.gz	NIKAAHOIONVZNU-UHFFFAOYSA-N	-1	0	263.282	0.488	20	30		CCEDRM
Cn1cc(S(=O)(=O)[N-]c2ccc(O)c(C#N)c2)cn1	ZINC001259826628	808779532	/nfs/dbraw/zinc/77/95/32/808779532.db2.gz	DXTZHMWRPZUSCC-UHFFFAOYSA-N	-1	0	278.293	0.798	20	30		CCEDRM
CCn1cc(S(=O)(=O)[N-]c2cccc(C#N)n2)cn1	ZINC001259832768	808782686	/nfs/dbraw/zinc/78/26/86/808782686.db2.gz	XKHJZMKMNLXMPM-UHFFFAOYSA-N	-1	0	277.309	0.970	20	30		CCEDRM
C[C@@H]1CCN(c2[n-]c(=O)n(C)c(=O)c2C#N)C[C@@H]1F	ZINC001262690158	809396721	/nfs/dbraw/zinc/39/67/21/809396721.db2.gz	UBZZEUNMVDESDO-APPZFPTMSA-N	-1	0	266.276	0.130	20	30		CCEDRM
C=CCN(C)c1nnc(-c2nn[nH]n2)n1C[C@H]1CCCO1	ZINC001263431912	809519088	/nfs/dbraw/zinc/51/90/88/809519088.db2.gz	QSPIYDAZPLKNHY-SECBINFHSA-N	-1	0	290.331	0.259	20	30		CCEDRM
C=C[C@@](C)(CCOC)C(=O)N1CC[C@H](c2nnn[n-]2)C1	ZINC001263886443	809599618	/nfs/dbraw/zinc/59/96/18/809599618.db2.gz	KCZTYTCQSJKPND-GWCFXTLKSA-N	-1	0	279.344	0.744	20	30		CCEDRM
CCCN(CCNC(=O)C#CC1CC1)Cc1n[nH]c(=O)[n-]1	ZINC001267312672	811138347	/nfs/dbraw/zinc/13/83/47/811138347.db2.gz	KCCIMWXXZBKUAF-UHFFFAOYSA-N	-1	0	291.355	0.252	20	30		CCEDRM
Cc1ccnc(C#N)c1N[C@@H]1C(=O)N(S(=O)(=O)[O-])[C@H]1C	ZINC001167861548	812326020	/nfs/dbraw/zinc/32/60/20/812326020.db2.gz	LIEVBRRGQKSIEA-XVKPBYJWSA-N	-1	0	296.308	0.076	20	30		CCEDRM
C=C[C@@H](CC)CC(=O)NCC1CN(Cc2n[nH]c(=O)[n-]2)C1	ZINC001268867926	813124370	/nfs/dbraw/zinc/12/43/70/813124370.db2.gz	WRWPPRYTAVENDI-JTQLQIEISA-N	-1	0	293.371	0.661	20	30		CCEDRM
Cc1[nH]nc(C(=O)N2C[C@H]3CC[C@@H](C2)N3CC#N)c1[O-]	ZINC001029273432	814032796	/nfs/dbraw/zinc/03/27/96/814032796.db2.gz	AZFHWKHECKTOOT-AOOOYVTPSA-N	-1	0	275.312	0.236	20	30		CCEDRM
Cc1[nH]nc(C(=O)N2C[C@H]3CCN(CC#N)C[C@H]3C2)c1[O-]	ZINC001087936206	814278238	/nfs/dbraw/zinc/27/82/38/814278238.db2.gz	HUPBQGWANHAVNJ-MNOVXSKESA-N	-1	0	289.339	0.341	20	30		CCEDRM
C#CCN1CC[C@@]2(CCCN2C(=O)c2ccncc2[O-])C1=O	ZINC001271402693	814405186	/nfs/dbraw/zinc/40/51/86/814405186.db2.gz	PRNDKEKCYTYYKP-INIZCTEOSA-N	-1	0	299.330	0.628	20	30		CCEDRM
C=C(C)C(=O)OCCNc1cccc(S(=O)(=O)[O-])n1	ZINC001168070343	814539532	/nfs/dbraw/zinc/53/95/32/814539532.db2.gz	KNQNMWYFEFEHHB-UHFFFAOYSA-N	-1	0	286.309	0.860	20	30		CCEDRM
N#Cc1cc(NC(=N)SCCS(=O)(=O)[O-])ncn1	ZINC001168088674	814612995	/nfs/dbraw/zinc/61/29/95/814612995.db2.gz	JGWOYTFLAQIATI-UHFFFAOYSA-N	-1	0	287.326	0.316	20	30		CCEDRM
C=CCN1CC(NC(=O)c2n[n-]c3ccccc3c2=O)C1	ZINC001031035529	816590559	/nfs/dbraw/zinc/59/05/59/816590559.db2.gz	VQKHTKJYEMASNY-UHFFFAOYSA-N	-1	0	284.319	0.935	20	30		CCEDRM
CNC(=O)C(C#N)=C([O-])c1ccc([N+](=O)[O-])c(C)c1	ZINC000133198524	818232528	/nfs/dbraw/zinc/23/25/28/818232528.db2.gz	ULZBANJYCKSRMG-VIFPVBQESA-N	-1	0	261.237	0.972	20	30		CCEDRM
C=CC[C@@H](NC(=O)[C@@H]1CCc2ncncc2C1)C(=O)[O-]	ZINC001118219303	820110259	/nfs/dbraw/zinc/11/02/59/820110259.db2.gz	VOLRAEQEYSUDDK-BXKDBHETSA-N	-1	0	275.308	0.727	20	30		CCEDRM
COc1nc(N[C@@H]2SC(=O)[N-]C2=O)ccc1C#N	ZINC001163662627	820167037	/nfs/dbraw/zinc/16/70/37/820167037.db2.gz	QDROAMYRBUQDLA-SECBINFHSA-N	-1	0	264.266	0.683	20	30		CCEDRM
C=CC[C@H](NC(=O)[C@@H](OC)[C@@H]1CCOC1)C(=O)[O-]	ZINC001118544681	820612735	/nfs/dbraw/zinc/61/27/35/820612735.db2.gz	JBTTWJRUZDOGIE-UTLUCORTSA-N	-1	0	257.286	0.183	20	30		CCEDRM
CS(=O)(=O)[N-]c1ccc(C(=O)N[C@H](C#N)C2CC2)cn1	ZINC001118821776	820925231	/nfs/dbraw/zinc/92/52/31/820925231.db2.gz	OJNNAIJTVRSHBF-SNVBAGLBSA-N	-1	0	294.336	0.485	20	30		CCEDRM
C#CC[C@H](NC(=O)[C@H](NC(C)=O)C1CCCC1)C(=O)[O-]	ZINC000820352952	821441473	/nfs/dbraw/zinc/44/14/73/821441473.db2.gz	UEGMHIZVNJRQKA-NWDGAFQWSA-N	-1	0	280.324	0.274	20	30		CCEDRM
Cc1ncc(C(=O)[N-]S(=O)(=O)CC2(C#N)CC2)s1	ZINC000793205132	837407165	/nfs/dbraw/zinc/40/71/65/837407165.db2.gz	WYAUMBSLYRWDSE-UHFFFAOYSA-N	-1	0	285.350	0.815	20	30		CCEDRM
N#CC1(CS(=O)(=O)[N-]C(=O)[C@@H]2[C@@H]3CCCO[C@H]23)CC1	ZINC000793203609	837407581	/nfs/dbraw/zinc/40/75/81/837407581.db2.gz	FELGDRZIRHMNBQ-AEJSXWLSSA-N	-1	0	284.337	0.161	20	30		CCEDRM
CC(C)[C@H](NC(=O)COC(=O)CSCC#N)C(=O)[O-]	ZINC001591878760	976235872	/nfs/dbraw/zinc/23/58/72/976235872.db2.gz	NJCQYNVXTVIYJT-JTQLQIEISA-N	-1	0	288.325	0.012	20	30		CCEDRM
O=C(CCC(=O)C1=CC=C[CH]1)NCCn1ccnn1	ZINC001184240579	844186418	/nfs/dbraw/zinc/18/64/18/844186418.db2.gz	HODICDIQBCVNMR-UHFFFAOYSA-N	-1	0	259.289	0.444	20	30		CCEDRM
O=C(CCC(=O)C1=CC=C[CH]1)NC1(CO)CCOCC1	ZINC001184244163	844187770	/nfs/dbraw/zinc/18/77/70/844187770.db2.gz	NFVAQWZIGJITTG-UHFFFAOYSA-N	-1	0	278.328	0.694	20	30		CCEDRM
C[C@@H](NC(=O)c1cn[nH]n1)[C@@H](C)Nc1ccc(C#N)nc1	ZINC001113356267	837095035	/nfs/dbraw/zinc/09/50/35/837095035.db2.gz	DJUXLTAJBLQLBY-RKDXNWHRSA-N	-1	0	285.311	0.690	20	30		CCEDRM
Cn1ncc([N-]S(=O)(=O)c2cnc(Cl)nc2)c1C#N	ZINC001185004591	844320432	/nfs/dbraw/zinc/32/04/32/844320432.db2.gz	SHTNSNYCYVKLLE-UHFFFAOYSA-N	-1	0	298.715	0.536	20	30		CCEDRM
C=CCCc1ccc(C(=O)NCS(=O)(=O)[O-])c(=O)[nH]1	ZINC001185362805	844402728	/nfs/dbraw/zinc/40/27/28/844402728.db2.gz	NEBOXGIFXPQMQK-UHFFFAOYSA-N	-1	0	286.309	0.481	20	30		CCEDRM
N=C(c1nonc1N)N(O)C(=O)C[C@H](O)c1ccccc1	ZINC001185789264	844459381	/nfs/dbraw/zinc/45/93/81/844459381.db2.gz	AMDLKVHKDMAXAQ-QMMMGPOBSA-N	-1	0	291.267	0.319	20	30		CCEDRM
C=CC1CCN(C(=O)c2n[nH]c(=O)[n-]c2=O)CC1	ZINC001136784244	839762248	/nfs/dbraw/zinc/76/22/48/839762248.db2.gz	LNANIEXMZCDIPK-UHFFFAOYSA-N	-1	0	250.258	0.321	20	30		CCEDRM
N#Cc1cccc(O[N-]C(=O)[C@H]2CCCN(C(N)=O)C2)c1	ZINC001171247068	840191632	/nfs/dbraw/zinc/19/16/32/840191632.db2.gz	MRWGLBJOFIYXHK-NSHDSACASA-N	-1	0	288.307	0.759	20	30		CCEDRM
COc1nn(C)cc1C(=O)N(O)C(=N)c1ccccc1N	ZINC001147025702	840468723	/nfs/dbraw/zinc/46/87/23/840468723.db2.gz	WMLYBCUVGXJEGZ-UHFFFAOYSA-N	-1	0	289.295	0.868	20	30		CCEDRM
N#Cc1nn(-c2cc(C(=O)[O-])cc([N+](=O)[O-])c2)cc1N	ZINC001176672274	842399354	/nfs/dbraw/zinc/39/93/54/842399354.db2.gz	HZNSXDHQMNPROG-UHFFFAOYSA-N	-1	0	273.208	0.933	20	30		CCEDRM
CNc1ccc(C#N)cc1NC(=O)Cn1nn[n-]c1=S	ZINC001177740967	842664985	/nfs/dbraw/zinc/66/49/85/842664985.db2.gz	MWCKYTUCAVZWPN-UHFFFAOYSA-N	-1	0	289.324	0.514	20	30		CCEDRM
CCOC(=O)c1cnc(NC(=O)C#Cc2ccccn2)[n-]1	ZINC001177798299	842679443	/nfs/dbraw/zinc/67/94/43/842679443.db2.gz	AOENWBAXOLQNLJ-UHFFFAOYSA-N	-1	0	284.275	0.972	20	30		CCEDRM
Cn1cnc(CC(=O)N(O)C(=N)c2ccccc2N)c1	ZINC001177852829	842696130	/nfs/dbraw/zinc/69/61/30/842696130.db2.gz	ZGNCKMGHSZYIAB-UHFFFAOYSA-N	-1	0	273.296	0.788	20	30		CCEDRM
O=C(C#Cc1ccc(F)cc1F)N[C@H]1SC(=O)[N-]C1=O	ZINC001178574111	842883594	/nfs/dbraw/zinc/88/35/94/842883594.db2.gz	ROPMFUKAAMQWBZ-NSHDSACASA-N	-1	0	296.254	0.742	20	30		CCEDRM
N=C(c1nonc1N)N([O-])C(=O)[C@H](F)c1ccccc1	ZINC001180141512	843105928	/nfs/dbraw/zinc/10/59/28/843105928.db2.gz	YDAWQRRKQOZYJC-SSDOTTSWSA-N	-1	0	279.231	0.906	20	30		CCEDRM
N=C(c1ccccc1N)N(O)C(=O)C1=NNC(=O)CC1	ZINC001180258398	843133659	/nfs/dbraw/zinc/13/36/59/843133659.db2.gz	COTPIEKQOOHYJQ-UHFFFAOYSA-N	-1	0	275.268	0.078	20	30		CCEDRM
N#Cc1cccc(CCC(=O)NCc2n[nH]c(=O)[n-]2)c1	ZINC001182341231	843775003	/nfs/dbraw/zinc/77/50/03/843775003.db2.gz	HYVAOOQPHLBNQS-UHFFFAOYSA-N	-1	0	271.280	0.631	20	30		CCEDRM
Cc1ccnc(C#N)c1[N-]S(=O)(=O)c1c[nH]cn1	ZINC001187738929	844760101	/nfs/dbraw/zinc/76/01/01/844760101.db2.gz	XBJQBOFIEYWTFK-UHFFFAOYSA-N	-1	0	263.282	0.786	20	30		CCEDRM
N#Cc1cnc2ccnn2c1[N-]S(=O)(=O)C1CCC1	ZINC001188105269	844826282	/nfs/dbraw/zinc/82/62/82/844826282.db2.gz	SVQTYSPPSXARQM-UHFFFAOYSA-N	-1	0	277.309	0.895	20	30		CCEDRM
COC(=O)CCS(=O)(=O)[N-]c1cccc(OC)c1C#N	ZINC001188387824	844877009	/nfs/dbraw/zinc/87/70/09/844877009.db2.gz	BINZRCCPKNIGGX-UHFFFAOYSA-N	-1	0	298.320	0.872	20	30		CCEDRM
N#Cc1cnc([N-]S(=O)(=O)c2ccoc2)cn1	ZINC001188569501	844908882	/nfs/dbraw/zinc/90/88/82/844908882.db2.gz	OBPLPUZXNVQCBF-UHFFFAOYSA-N	-1	0	250.239	0.742	20	30		CCEDRM
N#Cc1ccccc1OCCNS(=O)(=O)c1ncc[n-]1	ZINC001190755700	845472039	/nfs/dbraw/zinc/47/20/39/845472039.db2.gz	YBJCZPXLIBANHD-UHFFFAOYSA-N	-1	0	292.320	0.639	20	30		CCEDRM
C#C[C@@H](CO)NS(=O)(=O)c1cc(Cl)cnc1Cl	ZINC001190722709	845476924	/nfs/dbraw/zinc/47/69/24/845476924.db2.gz	HGCRNAKERIPSBO-ZETCQYMHSA-N	-1	0	295.147	0.661	20	30		CCEDRM
CCc1nc2ccc([N-]S(=O)(=O)CC#N)cn2n1	ZINC001192951161	845932987	/nfs/dbraw/zinc/93/29/87/845932987.db2.gz	IRLRMRCPXCZXKJ-UHFFFAOYSA-N	-1	0	265.298	0.557	20	30		CCEDRM
CN1CCc2c([N-]S(=O)(=O)CC#N)cccc2C1=O	ZINC001192985550	845944731	/nfs/dbraw/zinc/94/47/31/845944731.db2.gz	GKXQEYJSSYRDIM-UHFFFAOYSA-N	-1	0	279.321	0.580	20	30		CCEDRM
COC(=O)c1ccc(O)cc1[N-]S(=O)(=O)CC#N	ZINC001192985734	845944808	/nfs/dbraw/zinc/94/48/08/845944808.db2.gz	LRIWYJLXJILNAH-UHFFFAOYSA-N	-1	0	270.266	0.444	20	30		CCEDRM
N#CCS(=O)(=O)[N-]c1ccc(F)cc1C(N)=O	ZINC001192978970	845961446	/nfs/dbraw/zinc/96/14/46/845961446.db2.gz	QXWYJSSOBGZIRT-UHFFFAOYSA-N	-1	0	257.246	0.190	20	30		CCEDRM
COC(=O)c1cccc(F)c1[N-]S(=O)(=O)CC#N	ZINC001192978831	845961552	/nfs/dbraw/zinc/96/15/52/845961552.db2.gz	IPVMTDKZPIQGSG-UHFFFAOYSA-N	-1	0	272.257	0.878	20	30		CCEDRM
C#Cc1nccnc1[N-]S(=O)(=O)C(C)(C)C(=O)OCC	ZINC001193017153	845969040	/nfs/dbraw/zinc/96/90/40/845969040.db2.gz	QXNPSOLCVYGERY-UHFFFAOYSA-N	-1	0	297.336	0.541	20	30		CCEDRM
COC(=O)c1ccncc1[N-]S(=O)(=O)[C@@H](C)C#N	ZINC001193104094	845979130	/nfs/dbraw/zinc/97/91/30/845979130.db2.gz	FUJAPVVGCQAZRY-ZETCQYMHSA-N	-1	0	269.282	0.522	20	30		CCEDRM
C[C@@H](C#N)S(=O)(=O)[N-]c1cnc(Br)nc1	ZINC001193104629	845979407	/nfs/dbraw/zinc/97/94/07/845979407.db2.gz	LLMIBZOLNMFVMT-YFKPBYRVSA-N	-1	0	291.130	0.893	20	30		CCEDRM
C[C@@H](C#N)S(=O)(=O)[N-]c1ccnn1Br	ZINC001193112404	845980965	/nfs/dbraw/zinc/98/09/65/845980965.db2.gz	SSRHCINHAFKZQK-YFKPBYRVSA-N	-1	0	279.119	0.695	20	30		CCEDRM
COC(=O)c1ccc(OC)nc1[N-]S(=O)(=O)[C@H](C)C#N	ZINC001193112228	845981224	/nfs/dbraw/zinc/98/12/24/845981224.db2.gz	PEAXOBXPMYKXKC-SSDOTTSWSA-N	-1	0	299.308	0.531	20	30		CCEDRM
C[C@@H](C#N)S(=O)(=O)[N-]c1cccc(C(N)=O)c1F	ZINC001193162223	846009765	/nfs/dbraw/zinc/00/97/65/846009765.db2.gz	WOHOGAWAIHYYKE-LURJTMIESA-N	-1	0	271.273	0.578	20	30		CCEDRM
C#Cc1nccnc1[N-]S(=O)(=O)C[C@@H]1CCCO1	ZINC001193204958	846018681	/nfs/dbraw/zinc/01/86/81/846018681.db2.gz	ASOXLLSQSKSGGI-VIFPVBQESA-N	-1	0	267.310	0.379	20	30		CCEDRM
COC(=O)[C@](C)([N-]S(=O)(=O)[C@H](C)C#N)C(F)(F)F	ZINC001193186541	846029069	/nfs/dbraw/zinc/02/90/69/846029069.db2.gz	YUQHWSOBDIKYGY-VDTYLAMSSA-N	-1	0	288.247	0.312	20	30		CCEDRM
N#Cc1cc(C(=O)N(O)C(=N)c2nonc2N)ccc1[O-]	ZINC001193495166	846093472	/nfs/dbraw/zinc/09/34/72/846093472.db2.gz	ZFIXIKGNQMOBDL-UHFFFAOYSA-N	-1	0	288.223	0.086	20	30		CCEDRM
N#Cc1cc(C(=O)N2CCN(CCF)CC2)ccc1[O-]	ZINC001193505479	846101933	/nfs/dbraw/zinc/10/19/33/846101933.db2.gz	ZCQSEBHNRZKRDY-UHFFFAOYSA-N	-1	0	277.299	0.991	20	30		CCEDRM
COc1ccnc(C(=O)Nc2cn(C)nc2C#N)c1[O-]	ZINC001193524814	846105610	/nfs/dbraw/zinc/10/56/10/846105610.db2.gz	MAHZTHKMCZUJCK-UHFFFAOYSA-N	-1	0	273.252	0.653	20	30		CCEDRM
N#Cc1cccc(C(=O)N2CCNCC(F)(F)C2)c1[O-]	ZINC001193642777	846135697	/nfs/dbraw/zinc/13/56/97/846135697.db2.gz	PJWOYMNWIHCQKE-UHFFFAOYSA-N	-1	0	281.262	0.945	20	30		CCEDRM
N#Cc1cccc(C(=O)NC2CC(CO)(CO)C2)c1[O-]	ZINC001193657873	846140286	/nfs/dbraw/zinc/14/02/86/846140286.db2.gz	JTRRTHJOZSYCSH-UHFFFAOYSA-N	-1	0	276.292	0.127	20	30		CCEDRM
CCOC(=O)NC(=S)[N-]c1c(C#N)cnn1C(=O)OC	ZINC001195504936	846556691	/nfs/dbraw/zinc/55/66/91/846556691.db2.gz	YBRMHPZCUGMKGI-UHFFFAOYSA-N	-1	0	297.296	0.812	20	30		CCEDRM
Cc1noc(NC(=O)c2ccc(C#N)cc2[O-])c1C(N)=O	ZINC001195733164	846603726	/nfs/dbraw/zinc/60/37/26/846603726.db2.gz	BUCMLXDSBHYQHV-UHFFFAOYSA-N	-1	0	286.247	0.912	20	30		CCEDRM
N#Cc1ccc(C(=O)N2CCCNC(=O)C2)c([O-])c1	ZINC001195741781	846619301	/nfs/dbraw/zinc/61/93/01/846619301.db2.gz	ZCRGPVAWRJGHJB-UHFFFAOYSA-N	-1	0	259.265	0.226	20	30		CCEDRM
N#Cc1ccc(C(=O)N2CCS(=O)(=O)CC2)c([O-])c1	ZINC001195741744	846619535	/nfs/dbraw/zinc/61/95/35/846619535.db2.gz	YBEPYWPXQGVMIE-UHFFFAOYSA-N	-1	0	280.305	0.134	20	30		CCEDRM
CCOC(=O)[C@H](C#N)NC(=O)c1cc(Cl)ncc1[O-]	ZINC001196401218	846743112	/nfs/dbraw/zinc/74/31/12/846743112.db2.gz	WEUIOKGRGPESKJ-ZETCQYMHSA-N	-1	0	283.671	0.626	20	30		CCEDRM
C#Cc1cnc([N-]S(=O)(=O)c2ccc(C)nc2)c(C#C)n1	ZINC001198276626	847077619	/nfs/dbraw/zinc/07/76/19/847077619.db2.gz	SCYUSOFJJISFBS-UHFFFAOYSA-N	-1	0	298.327	0.943	20	30		CCEDRM
C[C@H](C#N)NS(=O)(=O)c1ccccc1C(=O)[O-]	ZINC001198811061	847177266	/nfs/dbraw/zinc/17/72/66/847177266.db2.gz	VRXRBDWPSFNPCJ-SSDOTTSWSA-N	-1	0	254.267	0.575	20	30		CCEDRM
C=C[C@@H](CO)NS(=O)(=O)c1cc(C(=O)[O-])ccc1F	ZINC000717437925	848371128	/nfs/dbraw/zinc/37/11/28/848371128.db2.gz	SJIBMZBDYOVGRG-QMMMGPOBSA-N	-1	0	289.284	0.349	20	30		CCEDRM
N#Cc1cc(C(=O)N2CC[C@@H]3C[C@@]32C(N)=O)ccc1[O-]	ZINC001276156609	848942419	/nfs/dbraw/zinc/94/24/19/848942419.db2.gz	VVLLQGSWMCDKLB-YGRLFVJLSA-N	-1	0	271.276	0.354	20	30		CCEDRM
C=C(C)CN1CC[C@H]1CNC(=O)c1[nH]nc(C)c1[O-]	ZINC001038161144	849802365	/nfs/dbraw/zinc/80/23/65/849802365.db2.gz	LDGNWHUXEDCEMI-JTQLQIEISA-N	-1	0	264.329	0.804	20	30		CCEDRM
O=C([O-])CNN=Cc1ncc(Br)s1	ZINC000382104459	850619678	/nfs/dbraw/zinc/61/96/78/850619678.db2.gz	HVAGMZONUKXWHN-UHFFFAOYSA-N	-1	0	264.104	0.914	20	30		CCEDRM
COC(=O)CS(=O)(=O)[N-]c1c(C#N)cccc1C#N	ZINC001259024351	850849625	/nfs/dbraw/zinc/84/96/25/850849625.db2.gz	LRHHEEUKQOINRW-UHFFFAOYSA-N	-1	0	279.277	0.345	20	30		CCEDRM
CC(C)C[C@H](C#N)[N-]S(=O)(=O)N=S(C)(C)=O	ZINC000903102460	852138493	/nfs/dbraw/zinc/13/84/93/852138493.db2.gz	NXOBEXLDZINYEU-MRVPVSSYSA-N	-1	0	267.376	0.487	20	30		CCEDRM
Cc1[nH]nc(C(=O)N2CCC[C@H]3[C@H]2CCN3CC#N)c1[O-]	ZINC001049422957	852267812	/nfs/dbraw/zinc/26/78/12/852267812.db2.gz	PUPJPFFSKXHSSS-WDEREUQCSA-N	-1	0	289.339	0.626	20	30		CCEDRM
C#CC1CCN(C(=O)C2(C(=O)[O-])CCOCC2)CC1	ZINC000689367624	852512758	/nfs/dbraw/zinc/51/27/58/852512758.db2.gz	APHDWJWNLHDVMR-UHFFFAOYSA-N	-1	0	265.309	0.740	20	30		CCEDRM
N#Cc1cnccc1N1CCC[C@@H](NC(=O)c2cn[nH]n2)C1	ZINC001058268704	853808183	/nfs/dbraw/zinc/80/81/83/853808183.db2.gz	TVLMNDDDBVWCHA-LLVKDONJSA-N	-1	0	297.322	0.470	20	30		CCEDRM
C#CC[C@@H](NC(=O)[C@H](C)NC(=O)c1ccccc1)C(=O)[O-]	ZINC000149555364	853987221	/nfs/dbraw/zinc/98/72/21/853987221.db2.gz	RYFAYGUCIYJMOW-CMPLNLGQSA-N	-1	0	288.303	0.398	20	30		CCEDRM
C#CC[C@@H](NC(=O)Cc1cccc(OC)c1)C(=O)[O-]	ZINC000149831880	853999785	/nfs/dbraw/zinc/99/97/85/853999785.db2.gz	UNPBWRAIIHWOLA-GFCCVEGCSA-N	-1	0	261.277	0.830	20	30		CCEDRM
C#CC[C@H](NC(=O)[C@@H]1Cc2ccccc2O1)C(=O)[O-]	ZINC000149935519	854008372	/nfs/dbraw/zinc/00/83/72/854008372.db2.gz	BIADNVIVYFRBFJ-JQWIXIFHSA-N	-1	0	259.261	0.583	20	30		CCEDRM
C=CCNC(=O)CNC(=O)Cc1ccccc1C(=O)[O-]	ZINC000393822404	854134305	/nfs/dbraw/zinc/13/43/05/854134305.db2.gz	JHQFKNIGWDGTJN-UHFFFAOYSA-N	-1	0	276.292	0.346	20	30		CCEDRM
C=CC(C)(C)C(=O)[N-]S(=O)(=O)N(C)CC(=O)OCC	ZINC001119506517	856711224	/nfs/dbraw/zinc/71/12/24/856711224.db2.gz	OELJOBYXDZHJAC-UHFFFAOYSA-N	-1	0	292.357	0.055	20	30		CCEDRM
C#CC[C@@H](NC(=O)CCc1ccc(=O)[nH]c1)C(=O)[O-]	ZINC001119643755	856804046	/nfs/dbraw/zinc/80/40/46/856804046.db2.gz	FJDXQPGFJLSOFB-SNVBAGLBSA-N	-1	0	262.265	0.313	20	30		CCEDRM
C#CC[C@H](NC(=O)c1cnc(C)nc1C1CC1)C(=O)[O-]	ZINC001119645500	856805391	/nfs/dbraw/zinc/80/53/91/856805391.db2.gz	VCWJUBDREJZBEX-NSHDSACASA-N	-1	0	273.292	0.869	20	30		CCEDRM
C=CC[C@H](NC(=O)c1nn(CC)nc1C)C(=O)[O-]	ZINC001119645546	856805837	/nfs/dbraw/zinc/80/58/37/856805837.db2.gz	VPWRGNWAMZMNTI-QMMMGPOBSA-N	-1	0	252.274	0.366	20	30		CCEDRM
N#CCC1(CNC(=O)C(=O)[N-]OC2CCOCC2)CC1	ZINC001324172838	912707529	/nfs/dbraw/zinc/70/75/29/912707529.db2.gz	FHWUAOYGFLYYRL-UHFFFAOYSA-N	-1	0	281.312	0.023	20	30		CCEDRM
N#Cc1cccc(NC(=O)C(=O)[N-]OC[C@@H]2CCOC2)c1	ZINC001324447661	912851015	/nfs/dbraw/zinc/85/10/15/912851015.db2.gz	TYYMVEALCHVQAY-LLVKDONJSA-N	-1	0	289.291	0.581	20	30		CCEDRM
C=CC[C@@H](NC(=O)COC[C@H]1CCCO1)C(=O)[O-]	ZINC001325145199	913242473	/nfs/dbraw/zinc/24/24/73/913242473.db2.gz	XQSGCNSWQDBBKQ-NXEZZACHSA-N	-1	0	257.286	0.328	20	30		CCEDRM
CC[C@@H](C)[C@H](C(=O)[O-])N(CC#N)CCC(=O)OC	ZINC001594874807	982204946	/nfs/dbraw/zinc/20/49/46/982204946.db2.gz	FBQUSDXDDRKURQ-MWLCHTKSSA-N	-1	0	256.302	0.874	20	30		CCEDRM
C=CCOc1ccc(CC(=O)[N-]S(=O)(=O)N(C)C)cc1	ZINC001326636135	914067272	/nfs/dbraw/zinc/06/72/72/914067272.db2.gz	BQBWZCUXMXADKB-UHFFFAOYSA-N	-1	0	298.364	0.717	20	30		CCEDRM
CCOC(=O)c1scnc1[N-]S(=O)(=O)[C@H](C)C#N	ZINC001193106292	900031596	/nfs/dbraw/zinc/03/15/96/900031596.db2.gz	NWKIVYGWBCKCQY-ZCFIWIBFSA-N	-1	0	289.338	0.974	20	30		CCEDRM
COC(=O)CCCN(C)C(=O)c1[n-]c(=O)c(C#N)cc1C	ZINC001411647452	901179338	/nfs/dbraw/zinc/17/93/38/901179338.db2.gz	RFQUWGAKWZOYJY-UHFFFAOYSA-N	-1	0	291.307	0.993	20	30		CCEDRM
Cc1cc(C#N)c(=O)[n-]c1C(=O)N1CCC(CO)CC1	ZINC001411931644	901336801	/nfs/dbraw/zinc/33/68/01/901336801.db2.gz	XDTYULNJAKPJAP-UHFFFAOYSA-N	-1	0	275.308	0.812	20	30		CCEDRM
Cc1cc(C#N)c(=O)[n-]c1C(=O)N1CCS(=O)CC1	ZINC001412539091	901805437	/nfs/dbraw/zinc/80/54/37/901805437.db2.gz	ZNRLCQWJCBCHAH-UHFFFAOYSA-N	-1	0	279.321	0.172	20	30		CCEDRM
CCC(CC)(CCO)CNc1[n-]c(=O)n(C)c(=O)c1C#N	ZINC001458229269	901976939	/nfs/dbraw/zinc/97/69/39/901976939.db2.gz	OYLYAOCSQVJJKR-UHFFFAOYSA-N	-1	0	294.355	0.546	20	30		CCEDRM
Cc1cc(C#N)c(=O)[n-]c1C(=O)N(C)[C@@H]1CCC[C@H]1O	ZINC001413588777	903094634	/nfs/dbraw/zinc/09/46/34/903094634.db2.gz	BSKWWBWUDUIWAV-GHMZBOCLSA-N	-1	0	275.308	0.953	20	30		CCEDRM
C=C(C)CCC(=O)N1CC[C@](C)(NC(=O)c2cn[nH]n2)C1	ZINC001299559805	904054193	/nfs/dbraw/zinc/05/41/93/904054193.db2.gz	RBPBIZZGPBHPHT-AWEZNQCLSA-N	-1	0	291.355	0.882	20	30		CCEDRM
Cc1ccc(C#N)cc1NC(=O)CCc1nnn[n-]1	ZINC001294324249	906580216	/nfs/dbraw/zinc/58/02/16/906580216.db2.gz	DTYOACFXYZFELA-UHFFFAOYSA-N	-1	0	256.269	0.951	20	30		CCEDRM
C[C@@H](C#N)CN(C(=O)c1n[nH]c(=O)[n-]c1=O)C1CC1	ZINC001295824072	906810522	/nfs/dbraw/zinc/81/05/22/906810522.db2.gz	CROWAHPEYHYIFS-LURJTMIESA-N	-1	0	263.257	0.047	20	30		CCEDRM
C=CCO[C@H]1CCN(c2nc3c(nc([O-])n(C)c3=O)[nH]2)C1	ZINC001337831285	921296671	/nfs/dbraw/zinc/29/66/71/921296671.db2.gz	KYBVXSPCAABNEJ-QMMMGPOBSA-N	-1	0	291.311	0.144	20	30		CCEDRM
C=CCCOCC(=O)[N-]S(=O)(=O)C1CCOCC1	ZINC001318059190	909604265	/nfs/dbraw/zinc/60/42/65/909604265.db2.gz	PLGMAQMHDPLPHD-UHFFFAOYSA-N	-1	0	277.342	0.204	20	30		CCEDRM
N#CCCCS(=O)(=O)[N-]C(=O)C[C@H]1CCOC1	ZINC001320640518	910775053	/nfs/dbraw/zinc/77/50/53/910775053.db2.gz	RTYQVDSYMZWICQ-SECBINFHSA-N	-1	0	260.315	0.163	20	30		CCEDRM
C#CCCCC(=O)[N-]S(=O)(=O)C1CCOCC1	ZINC001339041651	921633809	/nfs/dbraw/zinc/63/38/09/921633809.db2.gz	VKSCDFIJIYBLCC-UHFFFAOYSA-N	-1	0	259.327	0.415	20	30		CCEDRM
C=CCO[C@H]1CCN(C(=O)c2cnc(C(=O)[O-])cn2)C1	ZINC001321202870	911160283	/nfs/dbraw/zinc/16/02/83/911160283.db2.gz	GEMJHMVNZBNQDC-VIFPVBQESA-N	-1	0	277.280	0.592	20	30		CCEDRM
C=CCOCCNC(=O)c1c(C(=O)[O-])cnn1C	ZINC001339153342	921667351	/nfs/dbraw/zinc/66/73/51/921667351.db2.gz	XHBFYKOUGIGGAM-UHFFFAOYSA-N	-1	0	253.258	0.051	20	30		CCEDRM
Cc1cc(C#N)c(=O)[n-]c1C(=O)NCC(C)(C)OCCO	ZINC001417888241	921685913	/nfs/dbraw/zinc/68/59/13/921685913.db2.gz	PDHWFBZPBTVYEG-UHFFFAOYSA-N	-1	0	293.323	0.485	20	30		CCEDRM
CC/C=C(/C)C(=O)N1CC(n2cc(C#N)c(=O)[n-]c2=O)C1	ZINC001339317431	921700254	/nfs/dbraw/zinc/70/02/54/921700254.db2.gz	YMLVLEGFYJWLGV-WTKPLQERSA-N	-1	0	288.307	0.560	20	30		CCEDRM
C=CCSCCNC(=O)C(=O)N[C@H]1C[C@@H](C(=O)[O-])C1	ZINC001331492978	917371143	/nfs/dbraw/zinc/37/11/43/917371143.db2.gz	NLSOFIGGWGHQBR-DTORHVGOSA-N	-1	0	286.353	0.001	20	30		CCEDRM
C=C(C)C[C@H](NC(=O)C[C@H]1CCS(=O)(=O)C1)C(=O)[O-]	ZINC001331897697	917700381	/nfs/dbraw/zinc/70/03/81/917700381.db2.gz	YTGBTHRMWOKQFX-ZJUUUORDSA-N	-1	0	289.353	0.347	20	30		CCEDRM
N#CCSCC(=O)[N-]S(=O)(=O)CC[C@H]1CCCO1	ZINC001331980479	917777870	/nfs/dbraw/zinc/77/78/70/917777870.db2.gz	ZZIJCKVGVKUTKE-SECBINFHSA-N	-1	0	292.382	0.258	20	30		CCEDRM
C=CCC(F)(F)C(=O)N1CCC(O)(c2nnn[n-]2)CC1	ZINC001332124431	917878701	/nfs/dbraw/zinc/87/87/01/917878701.db2.gz	OTNFJGNMIIECGU-UHFFFAOYSA-N	-1	0	287.270	0.221	20	30		CCEDRM
C=CCOC[C@H](NCc1cn(C2CCC2)nn1)C(=O)[O-]	ZINC001332424573	918150692	/nfs/dbraw/zinc/15/06/92/918150692.db2.gz	YRQUNEXDHYUKJS-LBPRGKRZSA-N	-1	0	280.328	0.749	20	30		CCEDRM
C=CC[C@@H](NC(=O)N[C@H](C)c1ccn(C)n1)C(=O)[O-]	ZINC001332490659	918213158	/nfs/dbraw/zinc/21/31/58/918213158.db2.gz	XWOHLNFZTKXGTN-PSASIEDQSA-N	-1	0	266.301	0.810	20	30		CCEDRM
C=CC[C@@H](NC(=O)[C@H]1CCc2nccn2C1)C(=O)[O-]	ZINC001332613866	918311798	/nfs/dbraw/zinc/31/17/98/918311798.db2.gz	OMXYVMNXGIEJJE-VHSXEESVSA-N	-1	0	263.297	0.591	20	30		CCEDRM
C#CC[C@@H](NC(=O)[C@@H]1CCCN(CC(F)F)C1)C(=O)[O-]	ZINC001334202526	919422574	/nfs/dbraw/zinc/42/25/74/919422574.db2.gz	NHTUEEIGNCEXBC-NXEZZACHSA-N	-1	0	288.294	0.556	20	30		CCEDRM
C#CCCN1CCN(C(=O)C[C@H](C)CC(=O)[O-])CC1	ZINC001334217399	919435764	/nfs/dbraw/zinc/43/57/64/919435764.db2.gz	FDUWETNEHUZNTB-LBPRGKRZSA-N	-1	0	266.341	0.655	20	30		CCEDRM
C=CCOC[C@H](NCc1cn(CCC)nn1)C(=O)[O-]	ZINC001334777516	919759714	/nfs/dbraw/zinc/75/97/14/919759714.db2.gz	SEPLOPQDGHWTJY-NSHDSACASA-N	-1	0	268.317	0.434	20	30		CCEDRM
C#CC[C@H](NC(=O)c1cccc(C[S@](C)=O)c1)C(=O)[O-]	ZINC001334998505	919888626	/nfs/dbraw/zinc/88/86/26/919888626.db2.gz	RMUURWBBCOKTTM-YUNKPMOVSA-N	-1	0	293.344	0.771	20	30		CCEDRM
C=CC[C@H]1CCCC[C@H]1NC(=O)C(=O)NCC(=O)[N-]OC	ZINC001335142982	919980562	/nfs/dbraw/zinc/98/05/62/919980562.db2.gz	GWXGANIIUFDHKS-WDEREUQCSA-N	-1	0	297.355	0.031	20	30		CCEDRM
C[C@@H]1C[C@H](C)CN(c2[n-]c(=O)n(C)c(=O)c2C#N)C1	ZINC001336433825	920773212	/nfs/dbraw/zinc/77/32/12/920773212.db2.gz	WNZROIWZXRVWGC-DTORHVGOSA-N	-1	0	262.313	0.428	20	30		CCEDRM
C#C[C@H]1CC[C@H](NC(=O)C(=O)[N-]OC[C@H]2CCOC2)CC1	ZINC001336692529	920932580	/nfs/dbraw/zinc/93/25/80/920932580.db2.gz	RKOCXWYYFWCZOK-AVGNSLFASA-N	-1	0	294.351	0.379	20	30		CCEDRM
C=CC[C@H](NC(=O)CCC(=O)NC1CCCC1)C(=O)[O-]	ZINC001339863023	921857378	/nfs/dbraw/zinc/85/73/78/921857378.db2.gz	XNOKXSYLVUHGKI-NSHDSACASA-N	-1	0	282.340	0.971	20	30		CCEDRM
COc1cc(NC(=O)c2[n-]c(=O)c(C#N)cc2C)[nH]n1	ZINC001418463322	922150699	/nfs/dbraw/zinc/15/06/99/922150699.db2.gz	GUINVTSYYXQFTN-UHFFFAOYSA-N	-1	0	273.252	0.951	20	30		CCEDRM
C#CC[C@@H]1CCN(C(=O)N[C@H]2C[C@@H](C(=O)[O-])C2)C1	ZINC001341325341	922426310	/nfs/dbraw/zinc/42/63/10/922426310.db2.gz	JEEOGJRFKVXMEM-MXWKQRLJSA-N	-1	0	250.298	0.904	20	30		CCEDRM
CN(C)C(=O)c1ccc(C([O-])=C(C#N)C(=O)NC2CC2)cc1	ZINC001342549860	922998997	/nfs/dbraw/zinc/99/89/97/922998997.db2.gz	WLSSAVUBGGOYOH-ZDUSSCGKSA-N	-1	0	299.330	0.989	20	30		CCEDRM
COc1cc(C([O-])=C(C#N)C(=O)N2CCCC2)nn1C	ZINC001342595645	923015801	/nfs/dbraw/zinc/01/58/01/923015801.db2.gz	NJBGQSAYVBYGSO-SECBINFHSA-N	-1	0	276.296	0.374	20	30		CCEDRM
C#CC[C@@H]1CCN(C(=O)N[C@H]2C[C@H](C(=O)[O-])C2)C1	ZINC001343133335	923212046	/nfs/dbraw/zinc/21/20/46/923212046.db2.gz	JEEOGJRFKVXMEM-GMTAPVOTSA-N	-1	0	250.298	0.904	20	30		CCEDRM
Cn1ccnc1C(=O)C(C#N)=C([O-])c1coc(C(N)=O)c1	ZINC001343349795	923279707	/nfs/dbraw/zinc/27/97/07/923279707.db2.gz	IHBPDMJIUYSKIA-QMMMGPOBSA-N	-1	0	286.247	0.317	20	30		CCEDRM
Cn1ccnc1C(=O)C(C#N)=C([O-])c1coc(C(N)=O)c1	ZINC001343349794	923280345	/nfs/dbraw/zinc/28/03/45/923280345.db2.gz	IHBPDMJIUYSKIA-MRVPVSSYSA-N	-1	0	286.247	0.317	20	30		CCEDRM
CNC(=O)C(C#N)=C([O-])c1ccc(OCC2CC2)nc1	ZINC001343355729	923283149	/nfs/dbraw/zinc/28/31/49/923283149.db2.gz	UNERMINXHAIYOH-NSHDSACASA-N	-1	0	273.292	0.939	20	30		CCEDRM
C#CCO[N-]C(=O)CNC(=O)c1cc(Cl)ccn1	ZINC001343635091	923399377	/nfs/dbraw/zinc/39/93/77/923399377.db2.gz	MJGZCTPARUZGKO-UHFFFAOYSA-N	-1	0	267.672	0.146	20	30		CCEDRM
C=C(C)CCC(=O)N[C@H](C)C(=O)N[C@H](C)C(=O)[O-]	ZINC001345769243	923972774	/nfs/dbraw/zinc/97/27/74/923972774.db2.gz	PTGZJGMOMNVENA-RKDXNWHRSA-N	-1	0	256.302	0.437	20	30		CCEDRM
C=CCn1cc(C(=O)N[C@@H]2CCC[C@H]2CC(=O)[O-])nn1	ZINC001345797964	923981669	/nfs/dbraw/zinc/98/16/69/923981669.db2.gz	RLIGPNPYHYCZEC-VHSXEESVSA-N	-1	0	278.312	0.837	20	30		CCEDRM
C=CC[C@@H](NC(=O)c1ncn(C(C)(C)C)n1)C(=O)[O-]	ZINC001346104211	924073491	/nfs/dbraw/zinc/07/34/91/924073491.db2.gz	RUMMSWDLJKDYEQ-MRVPVSSYSA-N	-1	0	266.301	0.792	20	30		CCEDRM
C=C(C)Cn1c(-c2cc(=O)[nH][n-]2)nnc1N(C)OC	ZINC001346516556	924247955	/nfs/dbraw/zinc/24/79/55/924247955.db2.gz	RZQLTPMKNWZPMV-UHFFFAOYSA-N	-1	0	264.289	0.076	20	30		CCEDRM
C=C(C)CN(C)c1nnc(-c2nn[nH]n2)n1CC1CC1	ZINC001346666019	924287060	/nfs/dbraw/zinc/28/70/60/924287060.db2.gz	LMGMUYBKIZIGGB-UHFFFAOYSA-N	-1	0	274.332	0.881	20	30		CCEDRM
C=CCCC(=O)N[C@@H](C(=O)[O-])[C@H](O)c1ccncc1	ZINC001347562331	924480569	/nfs/dbraw/zinc/48/05/69/924480569.db2.gz	KHRKFRJBABWADZ-VXGBXAGGSA-N	-1	0	264.281	0.651	20	30		CCEDRM
C=C(C)[C@@H]1OCC[C@H]1CNC(=O)C(=O)[N-]OCC(C)C	ZINC001347567113	924481730	/nfs/dbraw/zinc/48/17/30/924481730.db2.gz	GFQQSBSCDKHZKT-RYUDHWBXSA-N	-1	0	284.356	0.788	20	30		CCEDRM
C=CC[C@H](NC(=O)[C@@H]1CCc2cnc(C)n2C1)C(=O)[O-]	ZINC001348489822	924704856	/nfs/dbraw/zinc/70/48/56/924704856.db2.gz	DMZKJSHDLPYZED-PWSUYJOCSA-N	-1	0	277.324	0.899	20	30		CCEDRM
C=C(C)CO[N-]C(=O)[C@@H](NC(=O)OC(C)(C)C)[C@@H](C)O	ZINC001348771436	924799711	/nfs/dbraw/zinc/79/97/11/924799711.db2.gz	UWVGLJTUARNZRE-ZJUUUORDSA-N	-1	0	288.344	0.884	20	30		CCEDRM
C#CCCCNC(=O)C(=O)NCc1ccccc1C(=O)[O-]	ZINC001349938067	925099601	/nfs/dbraw/zinc/09/96/01/925099601.db2.gz	RIGAIHNSWNBFJZ-UHFFFAOYSA-N	-1	0	288.303	0.531	20	30		CCEDRM
C=CC[C@H](NC(=O)[C@@H]1C[C@H]1c1cncn1C)C(=O)[O-]	ZINC001350768050	925274369	/nfs/dbraw/zinc/27/43/69/925274369.db2.gz	IZLPFZNRLDSAQC-BBBLOLIVSA-N	-1	0	263.297	0.669	20	30		CCEDRM
C#CCO[N-]C(=O)c1cn(CCOC)c(C)cc1=O	ZINC001351044445	925350169	/nfs/dbraw/zinc/35/01/69/925350169.db2.gz	NOLBGYUAQNLVQT-UHFFFAOYSA-N	-1	0	264.281	0.098	20	30		CCEDRM
COC(=O)[C@@H]1CCN1C(=O)c1[n-]c(=O)c(C#N)cc1C	ZINC001472088882	925959455	/nfs/dbraw/zinc/95/94/55/925959455.db2.gz	ZUDNMSPYWHHCMX-VIFPVBQESA-N	-1	0	275.264	0.355	20	30		CCEDRM
CC(C)(C(=O)[O-])C(=O)N1CCN(CCC#N)CC1	ZINC001353924462	925964785	/nfs/dbraw/zinc/96/47/85/925964785.db2.gz	ACPGDCLBZBXLAU-UHFFFAOYSA-N	-1	0	253.302	0.155	20	30		CCEDRM
C#CCN(CC1CC1)C(=O)Cn1ccc(C(=O)[O-])n1	ZINC001354083154	926010659	/nfs/dbraw/zinc/01/06/59/926010659.db2.gz	MUWCLAVHFWIKBY-UHFFFAOYSA-N	-1	0	261.281	0.453	20	30		CCEDRM
N#CC(C(=O)NC1CC1)=C([O-])c1ccc(C(N)=O)s1	ZINC001356004262	926333606	/nfs/dbraw/zinc/33/36/06/926333606.db2.gz	ZNYRWCBUYQLBFJ-SSDOTTSWSA-N	-1	0	277.305	0.448	20	30		CCEDRM
CNC(=O)C(C#N)=C([O-])c1ccc(OC)nc1Cl	ZINC001356318417	926368412	/nfs/dbraw/zinc/36/84/12/926368412.db2.gz	UHDVLLICJHFQCF-SSDOTTSWSA-N	-1	0	267.672	0.812	20	30		CCEDRM
C[C@H]1CN(Cc2cc(=O)n3[n-]cc(C#N)c3n2)CCO1	ZINC001413998933	926792304	/nfs/dbraw/zinc/79/23/04/926792304.db2.gz	DOTZWYNOPWGEMN-VIFPVBQESA-N	-1	0	273.296	0.527	20	30		CCEDRM
Cc1cc(C#N)c(=O)[n-]c1C(=O)N(C)CC(=O)NC(C)C	ZINC001361603574	927185583	/nfs/dbraw/zinc/18/55/83/927185583.db2.gz	WDTZUAYVUTTYMK-UHFFFAOYSA-N	-1	0	290.323	0.564	20	30		CCEDRM
Cc1cc(C#N)c(=O)[n-]c1C(=O)NCCn1cccn1	ZINC001361677704	927240910	/nfs/dbraw/zinc/24/09/10/927240910.db2.gz	JQWSIGFJUFMVSI-UHFFFAOYSA-N	-1	0	271.280	0.594	20	30		CCEDRM
N#CCCN(Cc1cccnc1)C(=O)CCCc1nnn[n-]1	ZINC001361928162	927455218	/nfs/dbraw/zinc/45/52/18/927455218.db2.gz	RRKBKGVJDACBIH-UHFFFAOYSA-N	-1	0	299.338	0.860	20	30		CCEDRM
Cc1cc(C#N)c(=O)[n-]c1C(=O)N1CCC[C@@H](CO)C1	ZINC001362044949	927551003	/nfs/dbraw/zinc/55/10/03/927551003.db2.gz	SBTVKDCFOJMQFP-SNVBAGLBSA-N	-1	0	275.308	0.812	20	30		CCEDRM
Cc1cc(C#N)c(=O)[n-]c1C(=O)N[C@H](CCO)C1CC1	ZINC001362140042	927658894	/nfs/dbraw/zinc/65/88/94/927658894.db2.gz	RYRLUTJZMMCYNF-LLVKDONJSA-N	-1	0	275.308	0.858	20	30		CCEDRM
Cc1cc(C#N)c(=O)[n-]c1C(=O)N1CC(F)(F)C[C@H]1CO	ZINC001362359266	927920641	/nfs/dbraw/zinc/92/06/41/927920641.db2.gz	XELWNJFJOBFTOI-VIFPVBQESA-N	-1	0	297.261	0.809	20	30		CCEDRM
N#Cc1ccc(CNC(=O)CCCc2nnn[n-]2)nc1	ZINC001362515252	928121152	/nfs/dbraw/zinc/12/11/52/928121152.db2.gz	LPWPSHVNYRMCIG-UHFFFAOYSA-N	-1	0	271.284	0.105	20	30		CCEDRM
CCn1ncn([N-]C(=O)c2ncc(C#N)cc2Cl)c1=O	ZINC001362656997	928314532	/nfs/dbraw/zinc/31/45/32/928314532.db2.gz	QIMWYEHDDRRPHP-UHFFFAOYSA-N	-1	0	292.686	0.369	20	30		CCEDRM
Cc1cc(C#N)c(=O)[n-]c1C(=O)NC[C@H]1CC[C@@H](O)C1	ZINC001362787183	928488723	/nfs/dbraw/zinc/48/87/23/928488723.db2.gz	RXGHHCODTJAZIR-GXSJLCMTSA-N	-1	0	275.308	0.858	20	30		CCEDRM
Cc1cc(C#N)c(=O)[n-]c1C(=O)N1CCC[C@@H]1C(N)=O	ZINC001362826230	928539603	/nfs/dbraw/zinc/53/96/03/928539603.db2.gz	PHYUDCKQRRFVDM-SECBINFHSA-N	-1	0	274.280	0.057	20	30		CCEDRM
N#Cc1nc(NC(=O)[C@H]2CCc3nncn3CC2)[n-]c1C#N	ZINC001362864335	928587542	/nfs/dbraw/zinc/58/75/42/928587542.db2.gz	MLVLLEIBAZIXAZ-QMMMGPOBSA-N	-1	0	296.294	0.336	20	30		CCEDRM
CC[C@H](CNC(=O)c1[n-]c(=O)c(C#N)cc1C)C(=O)OC	ZINC001362945651	928683269	/nfs/dbraw/zinc/68/32/69/928683269.db2.gz	GAIWOBWVPDXSIQ-SECBINFHSA-N	-1	0	291.307	0.896	20	30		CCEDRM
N#CCC1(CNC(=O)c2cccc(-n3[n-]nnc3=N)c2)CC1	ZINC001363110679	928880489	/nfs/dbraw/zinc/88/04/89/928880489.db2.gz	MOWYIBCUYFDGDK-UHFFFAOYSA-N	-1	0	297.322	0.499	20	30		CCEDRM
CN1C(=O)CCC[C@@H]1C(=O)Nc1nc(C#N)c(C#N)[n-]1	ZINC001363156288	928929409	/nfs/dbraw/zinc/92/94/09/928929409.db2.gz	JOMBINSJRAIGKN-SECBINFHSA-N	-1	0	272.268	0.102	20	30		CCEDRM
Cc1ccc(C)c(C(=O)Cn2c(=O)[n-]cc(C#N)c2=O)c1	ZINC001363184256	928954847	/nfs/dbraw/zinc/95/48/47/928954847.db2.gz	IYYCVWHXXDZYEN-UHFFFAOYSA-N	-1	0	283.287	0.908	20	30		CCEDRM
C[C@@H]1OCCN(Cc2cc(=O)n3[n-]cc(C#N)c3n2)[C@H]1C	ZINC001363214709	928984677	/nfs/dbraw/zinc/98/46/77/928984677.db2.gz	BVRDBLPOVDEOCR-UWVGGRQHSA-N	-1	0	287.323	0.916	20	30		CCEDRM
Cc1cc(C#N)c(=O)[n-]c1C(=O)N1CC[C@@]2(O)C[C@H]2C1	ZINC001363253474	929029823	/nfs/dbraw/zinc/02/98/23/929029823.db2.gz	CLKPVWMHPWQVPI-IINYFYTJSA-N	-1	0	273.292	0.564	20	30		CCEDRM
N#Cc1ccc(CNC(=O)Cn2c(=O)[n-][nH]c2=O)cc1F	ZINC001363442230	929235569	/nfs/dbraw/zinc/23/55/69/929235569.db2.gz	QCRHPQPHRLJUAF-UHFFFAOYSA-N	-1	0	291.242	0.016	20	30		CCEDRM
N#Cc1cn(CCNC(=O)[C@]23C[C@H]2CCC3)c(=O)[n-]c1=O	ZINC001363481489	929286188	/nfs/dbraw/zinc/28/61/88/929286188.db2.gz	GGWHLYWWRDLJBF-QMTHXVAHSA-N	-1	0	288.307	0.127	20	30		CCEDRM
Cc1cc(F)c(C#N)cc1NC(=O)c1n[nH]c(=O)[n-]c1=O	ZINC001363559501	929363686	/nfs/dbraw/zinc/36/36/86/929363686.db2.gz	NZZXCFUBKLEOAU-UHFFFAOYSA-N	-1	0	289.226	0.854	20	30		CCEDRM
CC(C)CC[C@H](CO)Nc1[n-]c(=O)n(C)c(=O)c1C#N	ZINC001363740520	929536924	/nfs/dbraw/zinc/53/69/24/929536924.db2.gz	CIWNNTPUKUBMIN-SECBINFHSA-N	-1	0	280.328	0.154	20	30		CCEDRM
C=CCO[N-]C(=O)CNC(=O)c1ccc(F)cc1	ZINC001449661626	931176499	/nfs/dbraw/zinc/17/64/99/931176499.db2.gz	YOMDRMICJZGSNY-UHFFFAOYSA-N	-1	0	252.245	0.789	20	30		CCEDRM
CNc1ccc(C#N)cc1NC(=O)[C@H]1CC(C(=O)[O-])=NO1	ZINC001610960147	970808699	/nfs/dbraw/zinc/80/86/99/970808699.db2.gz	CKXBWCDEEPCFME-LLVKDONJSA-N	-1	0	288.263	0.768	20	30		CCEDRM
O=C([O-])[C@]1(NC(=O)c2cccc(C#CCO)c2)CCOC1	ZINC001601431306	970996659	/nfs/dbraw/zinc/99/66/59/970996659.db2.gz	OEDIZPSEIGLCAQ-HNNXBMFYSA-N	-1	0	289.287	0.004	20	30		CCEDRM
C#C[C@H](CC)NC(=O)C(=O)Nc1ccccc1CC(=O)[O-]	ZINC001602672430	971237147	/nfs/dbraw/zinc/23/71/47/971237147.db2.gz	MNTGJPYBAUIMBA-LLVKDONJSA-N	-1	0	288.303	0.780	20	30		CCEDRM
C#C[C@H](NC(=O)C(=O)Nc1cncc(C(=O)[O-])c1)C(C)C	ZINC001602673598	971241883	/nfs/dbraw/zinc/24/18/83/971241883.db2.gz	XBMKXCSBQPHUHH-NSHDSACASA-N	-1	0	289.291	0.492	20	30		CCEDRM
C#CCC1(O)CCN(C(=O)C2(C(=O)[O-])CC=CC2)CC1	ZINC001602674717	971242557	/nfs/dbraw/zinc/24/25/57/971242557.db2.gz	AYRWVHAVLVGHQN-UHFFFAOYSA-N	-1	0	277.320	0.784	20	30		CCEDRM
C#CC[C@@H](CO)NC(=O)NCCCCCC(=O)[O-]	ZINC001602674767	971243750	/nfs/dbraw/zinc/24/37/50/971243750.db2.gz	CQKADARKPYMQHI-JTQLQIEISA-N	-1	0	256.302	0.315	20	30		CCEDRM
C#CC[C@@H](NC(=O)C(CC)(CC)C(=O)[O-])C(=O)OC	ZINC001602675223	971246589	/nfs/dbraw/zinc/24/65/89/971246589.db2.gz	NCVKXWKFMXWKIO-SECBINFHSA-N	-1	0	269.297	0.559	20	30		CCEDRM
C#CCCCNC(=O)C(=O)Nc1cccnc1C(=O)[O-]	ZINC001602675752	971253086	/nfs/dbraw/zinc/25/30/86/971253086.db2.gz	NYZWVXRZVRYWSC-UHFFFAOYSA-N	-1	0	275.264	0.248	20	30		CCEDRM
C#CCN(CC(=O)[O-])C(=O)C(=O)Nc1cccc(C)c1F	ZINC001602679832	971262260	/nfs/dbraw/zinc/26/22/60/971262260.db2.gz	WLNQARBMSRISRF-UHFFFAOYSA-N	-1	0	292.266	0.619	20	30		CCEDRM
C#CCN(CC(=O)[O-])C(=O)/C=C/C1(C)CCOCC1	ZINC001602682048	971264228	/nfs/dbraw/zinc/26/42/28/971264228.db2.gz	DQGCFOBSMZZJDV-SNAWJCMRSA-N	-1	0	265.309	0.906	20	30		CCEDRM
C#CCN(CC(=O)[O-])C(=O)c1ccccc1[S@@](=O)CC	ZINC001602692099	971300767	/nfs/dbraw/zinc/30/07/67/971300767.db2.gz	FNFMHBRYAWPIGH-FQEVSTJZSA-N	-1	0	293.344	0.974	20	30		CCEDRM
C#CCN(CC(=O)[O-])c1nnc([C@@H]2C[C@@H]2C)n1CCOC	ZINC001602701165	971327844	/nfs/dbraw/zinc/32/78/44/971327844.db2.gz	ZMXPJQNTVZRUIU-WDEREUQCSA-N	-1	0	292.339	0.572	20	30		CCEDRM
C=C(C)[C@H](CO)n1cc([N+](=O)[O-])c(-c2nnn[n-]2)n1	ZINC001573300677	947117859	/nfs/dbraw/zinc/11/78/59/947117859.db2.gz	SBOTZBHRGZZBDO-ZETCQYMHSA-N	-1	0	265.233	0.081	20	30		CCEDRM
C#Cc1ccccc1CC(=O)N[C@H](C(=O)[O-])c1ccnn1C	ZINC001602707239	971342890	/nfs/dbraw/zinc/34/28/90/971342890.db2.gz	NAMMVKQNBGROCB-HNNXBMFYSA-N	-1	0	297.314	0.886	20	30		CCEDRM
C=C(CCC(=O)OC)C(=O)N(CC)[C@@H](C)C(=O)[O-]	ZINC001602712012	971353241	/nfs/dbraw/zinc/35/32/41/971353241.db2.gz	FSJKNVCWHKMACC-VIFPVBQESA-N	-1	0	257.286	0.817	20	30		CCEDRM
C=C1CCC(C(=O)O[C@@H]2CCN(CC(=O)[O-])C2=O)CC1	ZINC001602712974	971359118	/nfs/dbraw/zinc/35/91/18/971359118.db2.gz	DQFPQSANLZZZNZ-LLVKDONJSA-N	-1	0	281.308	0.962	20	30		CCEDRM
C=CC[C@H](C=C)OC(=O)c1cn(CC(=O)[O-])nn1	ZINC001602718925	971379288	/nfs/dbraw/zinc/37/92/88/971379288.db2.gz	ZEXKETVNMVWPJN-QMMMGPOBSA-N	-1	0	251.242	0.650	20	30		CCEDRM
C=CCCO[C@H](C)C(=O)N[C@@H](CCC(=O)OC)C(=O)[O-]	ZINC001602722080	971387258	/nfs/dbraw/zinc/38/72/58/971387258.db2.gz	WJOLYWMQEZSSJQ-ZJUUUORDSA-N	-1	0	287.312	0.490	20	30		CCEDRM
C=CCOCCCn1nnnc1N1CC[C@](C)(C(=O)[O-])C1	ZINC001602728884	971397128	/nfs/dbraw/zinc/39/71/28/971397128.db2.gz	MTQGYQAJNOAINC-ZDUSSCGKSA-N	-1	0	295.343	0.567	20	30		CCEDRM
CC#CC(=O)N1C[C@H](C(=O)[O-])C2(CC(C(=O)OC)C2)C1	ZINC001602734978	971415062	/nfs/dbraw/zinc/41/50/62/971415062.db2.gz	GRXVHARSBDJXGC-OPASDULOSA-N	-1	0	279.292	0.122	20	30		CCEDRM
C=C[C@@H]1OCC[C@H]1NC(=O)[C@@H]1CO[C@H](CCC(=O)[O-])C1	ZINC001602731178	971412302	/nfs/dbraw/zinc/41/23/02/971412302.db2.gz	WVXKAWBRQUGEMT-QCNOEVLYSA-N	-1	0	283.324	0.716	20	30		CCEDRM
C[C@](C#N)(CC(=O)[O-])C(=O)N[C@H]1CC12CC(O)C2	ZINC001602780484	971518908	/nfs/dbraw/zinc/51/89/08/971518908.db2.gz	HWOVAHXXFVZGNP-UWPZTALVSA-N	-1	0	252.270	0.021	20	30		CCEDRM
CC[C@@]1(C(=O)[O-])CCCN(C(=O)NCC#CCO)C1	ZINC001589596067	949145484	/nfs/dbraw/zinc/14/54/84/949145484.db2.gz	IRFZPFUZRNUFHT-CYBMUJFWSA-N	-1	0	268.313	0.269	20	30		CCEDRM
C#CCN(CC(=O)[O-])CC(=O)N1CCC[C@H](C)C1	ZINC000092483288	949157127	/nfs/dbraw/zinc/15/71/27/949157127.db2.gz	OLASMLRQAMOQBZ-NSHDSACASA-N	-1	0	252.314	0.265	20	30		CCEDRM
C#C[C@@H](CCC)NC(=O)N1CCO[C@@H](C(=O)[O-])C1	ZINC000230017012	949668389	/nfs/dbraw/zinc/66/83/89/949668389.db2.gz	FPMZQJOKISPNKM-VHSXEESVSA-N	-1	0	254.286	0.283	20	30		CCEDRM
CCN(C[C@H](C)C#N)C(=O)[C@H]1CC(C(=O)[O-])=NO1	ZINC000230758483	949707259	/nfs/dbraw/zinc/70/72/59/949707259.db2.gz	YITUVIDIFGHPRZ-VXNVDRBHSA-N	-1	0	253.258	0.224	20	30		CCEDRM
CCN(C[C@H](C)C#N)C(=O)COC(=O)[C@@H](C)C(=O)[O-]	ZINC001589720083	950409957	/nfs/dbraw/zinc/40/99/57/950409957.db2.gz	MJLWLSYUTGESRZ-BDAKNGLRSA-N	-1	0	270.285	0.258	20	30		CCEDRM
CCN(CCC#N)C(=O)CN(CC(=O)[O-])C1CCC1	ZINC001589730442	950499550	/nfs/dbraw/zinc/49/95/50/950499550.db2.gz	YRHVUJQSHCYRQV-UHFFFAOYSA-N	-1	0	267.329	0.688	20	30		CCEDRM
C#CCN(CC(=O)[O-])C(=O)N[C@H](C)c1cnn(C)c1	ZINC000311897357	950747837	/nfs/dbraw/zinc/74/78/37/950747837.db2.gz	XLJCIQIAAISZMR-SECBINFHSA-N	-1	0	264.285	0.211	20	30		CCEDRM
N#C[C@@H]1CN(C(=O)N[C@H]2CC[C@@H](CC(=O)[O-])C2)CCO1	ZINC000380894313	971723951	/nfs/dbraw/zinc/72/39/51/971723951.db2.gz	MCHKVEYAJPYCLQ-OUAUKWLOSA-N	-1	0	281.312	0.564	20	30		CCEDRM
CCO[C@@H]1CC(=NNCCC(=O)[O-])[C@H]1n1cccn1	ZINC001591998376	951277388	/nfs/dbraw/zinc/27/73/88/951277388.db2.gz	PSGBIBRSYHASHB-ZYHUDNBSSA-N	-1	0	266.301	0.653	20	30		CCEDRM
C[C@]1(C#N)CN(C(=O)C2(CC(=O)[O-])CCC2)CCO1	ZINC001603290228	972543569	/nfs/dbraw/zinc/54/35/69/972543569.db2.gz	GHKRJNSNXWPTFY-LBPRGKRZSA-N	-1	0	266.297	0.772	20	30		CCEDRM
C#C[C@@](C)(CC)NS(=O)(=O)c1cc(C(=O)[O-])n(C)c1	ZINC000384161335	971913288	/nfs/dbraw/zinc/91/32/88/971913288.db2.gz	KAJUWCGQPGAERM-LBPRGKRZSA-N	-1	0	284.337	0.804	20	30		CCEDRM
O=C([O-])c1cc(NC(=O)c2cccc(C#CCO)c2)[nH]n1	ZINC001594800590	953735730	/nfs/dbraw/zinc/73/57/30/953735730.db2.gz	YJXVSIQMDXVEHK-UHFFFAOYSA-N	-1	0	285.259	0.704	20	30		CCEDRM
O=C([O-])c1ccnc(NC(=O)N[C@H]2CCCN(O)C2=O)c1	ZINC001594802187	953748410	/nfs/dbraw/zinc/74/84/10/953748410.db2.gz	NEYROLMFKMJKFL-QMMMGPOBSA-N	-1	0	294.267	0.282	20	30		CCEDRM
CCn1nncc1COC(=O)[C@@](C)(C#N)CC(=O)[O-]	ZINC001593674319	953901448	/nfs/dbraw/zinc/90/14/48/953901448.db2.gz	NKYSKORREGFYKQ-LLVKDONJSA-N	-1	0	266.257	0.346	20	30		CCEDRM
CCC(CC)(C(=O)[O-])C(=O)N1CCN(C(=O)CC#N)CC1	ZINC001589471935	954930082	/nfs/dbraw/zinc/93/00/82/954930082.db2.gz	SIYBBWOUHJWWOC-UHFFFAOYSA-N	-1	0	295.339	0.462	20	30		CCEDRM
COC(=O)C1=CC[C@H](NC(=O)[C@@](C)(C#N)CC(=O)[O-])C1	ZINC001593816527	955006047	/nfs/dbraw/zinc/00/60/47/955006047.db2.gz	QCPXXQXATQIZDN-TVQRCGJNSA-N	-1	0	280.280	0.369	20	30		CCEDRM
CC[C@@H](CNC(=O)C#Cc1ccc2c(c1)OCO2)C(=O)[O-]	ZINC001589515090	955063855	/nfs/dbraw/zinc/06/38/55/955063855.db2.gz	SXYOHPWSGNFRBC-NSHDSACASA-N	-1	0	289.287	0.994	20	30		CCEDRM
C[C@@H](CN(C)C(=O)CNc1ccc(C#N)cn1)C(=O)[O-]	ZINC001589020776	955468518	/nfs/dbraw/zinc/46/85/18/955468518.db2.gz	JYXRZOLZNMITJK-VIFPVBQESA-N	-1	0	276.296	0.544	20	30		CCEDRM
Cn1c(=O)oc2cc(C=NNCCC(=O)[O-])ccc21	ZINC001594525139	955495769	/nfs/dbraw/zinc/49/57/69/955495769.db2.gz	VVZQYWPVIVIXIN-UHFFFAOYSA-N	-1	0	263.253	0.530	20	30		CCEDRM
C[C@@H](CN(C)C(=O)c1cccc(C#CCO)c1)C(=O)[O-]	ZINC001589031553	955524695	/nfs/dbraw/zinc/52/46/95/955524695.db2.gz	QWYMLXHQXPARBR-NSHDSACASA-N	-1	0	275.304	0.823	20	30		CCEDRM
Cn1nc(C(=O)[O-])cc1C(=O)O[C@@H]1CC[C@@H](C#N)C1	ZINC001594567234	955851035	/nfs/dbraw/zinc/85/10/35/955851035.db2.gz	IJRYOOJARZRFPH-HTQZYQBOSA-N	-1	0	263.253	0.967	20	30		CCEDRM
CO[C@@H](C(=O)[O-])C(=O)[C@@H](C#N)c1nc2ccccc2n1C	ZINC001593901415	955872360	/nfs/dbraw/zinc/87/23/60/955872360.db2.gz	ZSDAXBBPDCJCPK-PRHODGIISA-N	-1	0	287.275	0.849	20	30		CCEDRM
N#CC1(COC(=O)c2cnc(C(=O)[O-])cn2)CCOCC1	ZINC001594602325	956146023	/nfs/dbraw/zinc/14/60/23/956146023.db2.gz	LXTVHMZNAGCKSG-UHFFFAOYSA-N	-1	0	291.263	0.652	20	30		CCEDRM
N#CC1(NC(=O)c2cccn(CC(=O)[O-])c2=O)CCCC1	ZINC001594603145	956153561	/nfs/dbraw/zinc/15/35/61/956153561.db2.gz	ZCDXPLQFAOJEIR-UHFFFAOYSA-N	-1	0	289.291	0.499	20	30		CCEDRM
N#CC1(CNC(=O)C2(C(=O)[O-])CCOCC2)CCC1	ZINC001594603822	956157614	/nfs/dbraw/zinc/15/76/14/956157614.db2.gz	JJZCUFHVGSUKKY-UHFFFAOYSA-N	-1	0	266.297	0.678	20	30		CCEDRM
CO[C@@](C)(C(=O)[O-])C(=O)Nc1n[nH]c(C2CC2)c1C#N	ZINC001593929755	956159672	/nfs/dbraw/zinc/15/96/72/956159672.db2.gz	FMCBTCXOZBEUII-GFCCVEGCSA-N	-1	0	278.268	0.587	20	30		CCEDRM
N#CC1(COC(=O)[C@@H]2CO[C@@H](CCC(=O)[O-])C2)COC1	ZINC001594604355	956161702	/nfs/dbraw/zinc/16/17/02/956161702.db2.gz	RQLJRGNDKNHZII-UWVGGRQHSA-N	-1	0	283.280	0.340	20	30		CCEDRM
N#C[C@H]1CCCN(C(=O)C(=O)NCC2(C(=O)[O-])CCC2)C1	ZINC001594605458	956166640	/nfs/dbraw/zinc/16/66/40/956166640.db2.gz	DWRDAMLBRZHXLR-SNVBAGLBSA-N	-1	0	293.323	0.120	20	30		CCEDRM
N#CCC1(CNC(=O)C(=O)N2CCC[C@H](C(=O)[O-])C2)CC1	ZINC001594605430	956166959	/nfs/dbraw/zinc/16/69/59/956166959.db2.gz	BSFDEEDZBQPRAF-JTQLQIEISA-N	-1	0	293.323	0.120	20	30		CCEDRM
N#C[C@@H]1COCCN1C(=O)[C@H]1CO[C@@H](CCC(=O)[O-])C1	ZINC001594606099	956177521	/nfs/dbraw/zinc/17/75/21/956177521.db2.gz	QCPTTYFGIYBHKW-MXWKQRLJSA-N	-1	0	282.296	0.007	20	30		CCEDRM
N#C[C@@H]1CC[C@@H](OC(=O)c2cccn(CC(=O)[O-])c2=O)C1	ZINC001594606522	956183826	/nfs/dbraw/zinc/18/38/26/956183826.db2.gz	YTGSHHHSWNPGOJ-NXEZZACHSA-N	-1	0	290.275	0.782	20	30		CCEDRM
N#CCN1CCC[C@H](CNC(=O)C2(C(=O)[O-])CC=CC2)C1	ZINC001594609837	956195500	/nfs/dbraw/zinc/19/55/00/956195500.db2.gz	LYTFXXMXOHQISO-GFCCVEGCSA-N	-1	0	291.351	0.759	20	30		CCEDRM
N#CCNC(=O)COC(=O)C1(C(=O)[O-])CCCCCC1	ZINC001594609991	956197269	/nfs/dbraw/zinc/19/72/69/956197269.db2.gz	NVYCBLYXXDQTPF-UHFFFAOYSA-N	-1	0	282.296	0.595	20	30		CCEDRM
N#CCCNC(=O)COC(=O)C1(C(=O)[O-])CCCCCC1	ZINC001594610473	956203588	/nfs/dbraw/zinc/20/35/88/956203588.db2.gz	VPPLYEMHFPKFTF-UHFFFAOYSA-N	-1	0	296.323	0.985	20	30		CCEDRM
N#C[C@H]1CC[C@@H](NC(=O)C2(C(=O)[O-])CCOCC2)C1	ZINC001594611892	956222160	/nfs/dbraw/zinc/22/21/60/956222160.db2.gz	KFUZKMFGKLQIBT-VHSXEESVSA-N	-1	0	266.297	0.676	20	30		CCEDRM
N#Cc1cc(Cl)nc(N2CCO[C@H](C(=O)[O-])C2)c1	ZINC001594617112	956246350	/nfs/dbraw/zinc/24/63/50/956246350.db2.gz	YFPVKXDGALSHEG-QMMMGPOBSA-N	-1	0	267.672	0.896	20	30		CCEDRM
N#Cc1ccc2c(c1)N(C(=O)[C@H]1CC[C@H]1C(=O)[O-])CC(=O)N2	ZINC001594627834	956326494	/nfs/dbraw/zinc/32/64/94/956326494.db2.gz	XEIJFBPXQLBJCY-VHSXEESVSA-N	-1	0	299.286	0.954	20	30		CCEDRM
N#Cc1cccc2c1CCN2C(=O)[C@H]1CC(C(=O)[O-])=NO1	ZINC001594628863	956337345	/nfs/dbraw/zinc/33/73/45/956337345.db2.gz	SNLSHAUGCWXAGS-GFCCVEGCSA-N	-1	0	285.259	0.677	20	30		CCEDRM
N#Cc1cnn2cc(CNc3cnn(CC(=O)[O-])c3)cnc12	ZINC001594634697	956363960	/nfs/dbraw/zinc/36/39/60/956363960.db2.gz	NZTYOHFACJOEHG-UHFFFAOYSA-N	-1	0	297.278	0.494	20	30		CCEDRM
N#Cc1ncccc1N[C@@H]1CCCCN(CC(=O)[O-])C1=O	ZINC001594635493	956369297	/nfs/dbraw/zinc/36/92/97/956369297.db2.gz	OCSQJOVZTRMDBH-LLVKDONJSA-N	-1	0	288.307	0.831	20	30		CCEDRM
C[C@@H](OC(=O)C(C)(C)C(=O)[O-])C(=O)N(C)CCC#N	ZINC001589159454	956396136	/nfs/dbraw/zinc/39/61/36/956396136.db2.gz	UVUSYPKGRLPHQZ-MRVPVSSYSA-N	-1	0	270.285	0.401	20	30		CCEDRM
COC[C@@H](C#N)OC(=O)[C@H](C(=O)[O-])C1CCCC1	ZINC001593952710	956407490	/nfs/dbraw/zinc/40/74/90/956407490.db2.gz	BGMCAISRAQNAEZ-ZJUUUORDSA-N	-1	0	255.270	0.959	20	30		CCEDRM
COC[C@@H](NC(=O)[C@](C)(C#N)CC(=O)[O-])C1CCOCC1	ZINC001593956520	956432937	/nfs/dbraw/zinc/43/29/37/956432937.db2.gz	APFZOKWZNFBZML-RISCZKNCSA-N	-1	0	298.339	0.549	20	30		CCEDRM
COC[C@@]1(C(=O)[O-])CCN(C(=O)c2coc(C#N)c2)C1	ZINC001593966770	956556668	/nfs/dbraw/zinc/55/66/68/956556668.db2.gz	AUGIWSRHZQUMFO-CYBMUJFWSA-N	-1	0	278.264	0.715	20	30		CCEDRM
C[C@@H](CC(=O)[O-])NC(=O)CNc1ccc(C#N)cc1	ZINC001603124720	972209179	/nfs/dbraw/zinc/20/91/79/972209179.db2.gz	NDGSMXTURPZTKE-VIFPVBQESA-N	-1	0	261.281	0.950	20	30		CCEDRM
COC[C@@]1(C)CN(C(=O)[C@](C)(C#N)CC(=O)[O-])CCO1	ZINC001593986752	956797839	/nfs/dbraw/zinc/79/78/39/956797839.db2.gz	JSGLLLLHGLXYIK-QWHCGFSZSA-N	-1	0	284.312	0.255	20	30		CCEDRM
COCCN(CCC(=O)[O-])C(=O)c1cc(C#N)[nH]c1C	ZINC001594006892	956979463	/nfs/dbraw/zinc/97/94/63/956979463.db2.gz	PDGUIGYMKIKKCX-UHFFFAOYSA-N	-1	0	279.296	0.758	20	30		CCEDRM
COCCN(CCC(=O)[O-])C(=O)c1ccc(C#N)c(C)n1	ZINC001594008259	956984726	/nfs/dbraw/zinc/98/47/26/956984726.db2.gz	QALOTMZPUOEJCS-UHFFFAOYSA-N	-1	0	291.307	0.825	20	30		CCEDRM
C=CCNC(=O)NC(=O)CN(CC(=O)[O-])[C@@H](C)CC	ZINC000037599315	957316260	/nfs/dbraw/zinc/31/62/60/957316260.db2.gz	ODXLFGSJRKDHOS-VIFPVBQESA-N	-1	0	271.317	0.183	20	30		CCEDRM
C#CC(C)(C)NS(=O)(=O)c1c[nH]c(C(=O)[O-])c1	ZINC000070118968	957660308	/nfs/dbraw/zinc/66/03/08/957660308.db2.gz	RKODBUNWHUQURE-UHFFFAOYSA-N	-1	0	256.283	0.403	20	30		CCEDRM
N#Cc1ccc(CN2CCNC(=O)[C@@H]2CC(=O)[O-])c(F)c1	ZINC000071248448	957712885	/nfs/dbraw/zinc/71/28/85/957712885.db2.gz	KEMXAZMASMXLMK-LBPRGKRZSA-N	-1	0	291.282	0.472	20	30		CCEDRM
CON(C(=O)c1cc(O)cc(C#N)c1)[C@H](C)C(=O)[O-]	ZINC001594034129	957793312	/nfs/dbraw/zinc/79/33/12/957793312.db2.gz	KPKQPPSUWLDIFH-SSDOTTSWSA-N	-1	0	264.237	0.741	20	30		CCEDRM
C#C[C@H]1CCCCN1C(=O)C(=O)NCCCCCC(=O)[O-]	ZINC001588385366	957969931	/nfs/dbraw/zinc/96/99/31/957969931.db2.gz	FKXKICOTQIRETJ-LBPRGKRZSA-N	-1	0	294.351	0.762	20	30		CCEDRM
C#CC[C@@H](CO)NC(=O)Nc1cncc(C(=O)[O-])c1	ZINC001588388462	957995387	/nfs/dbraw/zinc/99/53/87/957995387.db2.gz	AMLXXVLSFPTEJE-VIFPVBQESA-N	-1	0	263.253	0.286	20	30		CCEDRM
C#CC[C@H](COC)OC(=O)c1cnc(C(=O)[O-])cn1	ZINC001588389276	958006222	/nfs/dbraw/zinc/00/62/22/958006222.db2.gz	QHALQJIMVZOMNN-MRVPVSSYSA-N	-1	0	264.237	0.370	20	30		CCEDRM
C#CCC[C@H](O)CNC(=O)[C@H]1CO[C@H](CCC(=O)[O-])C1	ZINC001588391388	958022843	/nfs/dbraw/zinc/02/28/43/958022843.db2.gz	GXJQVYJIFCROJN-GRYCIOLGSA-N	-1	0	283.324	0.147	20	30		CCEDRM
C=C(Cl)CN1CCS(=O)(=O)C[C@H]1CC(=O)[O-]	ZINC000087616670	958023367	/nfs/dbraw/zinc/02/33/67/958023367.db2.gz	WENVDPFQWMKAIA-MRVPVSSYSA-N	-1	0	267.734	0.313	20	30		CCEDRM
C#CCC[C@@H](O)CNC(=O)NC[C@H](C(=O)[O-])C1CCC1	ZINC001588392379	958033833	/nfs/dbraw/zinc/03/38/33/958033833.db2.gz	YQPZHJDQRRGOBQ-NEPJUHHUSA-N	-1	0	282.340	0.561	20	30		CCEDRM
C#CCN(CC(=O)[O-])C(=O)C(=O)Nc1cc(C)ccc1C	ZINC001588394461	958035330	/nfs/dbraw/zinc/03/53/30/958035330.db2.gz	DSGMCPJORNYERD-UHFFFAOYSA-N	-1	0	288.303	0.788	20	30		CCEDRM
C#CCN(C(=O)C(=O)N1CCC[C@@H](CC(=O)[O-])C1)C(C)C	ZINC001588395275	958039317	/nfs/dbraw/zinc/03/93/17/958039317.db2.gz	FCVOENDEXVBHAH-LBPRGKRZSA-N	-1	0	294.351	0.570	20	30		CCEDRM
C#CCN(CC(=O)[O-])C(=O)[C@H](c1ccccc1)N(C)C	ZINC001588397351	958056448	/nfs/dbraw/zinc/05/64/48/958056448.db2.gz	FVRHNHKAJKJOKS-AWEZNQCLSA-N	-1	0	274.320	0.836	20	30		CCEDRM
C#CCN(CC(=O)[O-])C(=O)CCC(C)(C)C(C)=O	ZINC001588402040	958087640	/nfs/dbraw/zinc/08/76/40/958087640.db2.gz	JTUDEDOJKYGPKA-UHFFFAOYSA-N	-1	0	253.298	0.928	20	30		CCEDRM
C#CCN(CC(=O)[O-])C(=O)CN1CSCCSC1	ZINC001588402338	958089958	/nfs/dbraw/zinc/08/99/58/958089958.db2.gz	RQDDVHYWJYPZDW-UHFFFAOYSA-N	-1	0	288.394	0.230	20	30		CCEDRM
C#CCN(CC(=O)[O-])C(=O)C[C@H]1CCOC[C@H]1OCC	ZINC001588402650	958094230	/nfs/dbraw/zinc/09/42/30/958094230.db2.gz	ZGBLGYUQHWUSQI-VXGBXAGGSA-N	-1	0	283.324	0.365	20	30		CCEDRM
C#CCN(CC(=O)[O-])C(=O)Cc1ccc(C(=O)OC)cc1	ZINC001588407648	958101193	/nfs/dbraw/zinc/10/11/93/958101193.db2.gz	SPAOYBDZVNHROH-UHFFFAOYSA-N	-1	0	289.287	0.562	20	30		CCEDRM
C#CCN(CC(=O)[O-])C(=O)NC[C@@H]1CCO[C@@H]1C(=C)C	ZINC001588408699	958116650	/nfs/dbraw/zinc/11/66/50/958116650.db2.gz	ZKSKNASKJWNWEX-WCQYABFASA-N	-1	0	280.324	0.697	20	30		CCEDRM
C#CCN(CC(=O)[O-])C(=O)NCc1ccc(C#N)s1	ZINC001588409106	958123127	/nfs/dbraw/zinc/12/31/27/958123127.db2.gz	RGOXMWZQQMSAED-UHFFFAOYSA-N	-1	0	277.305	0.849	20	30		CCEDRM
C#CCN(CC(=O)[O-])C(=O)N[C@H]1CCN(CC(F)F)C1	ZINC001588410151	958135698	/nfs/dbraw/zinc/13/56/98/958135698.db2.gz	POYMVJCNDPVPKW-VIFPVBQESA-N	-1	0	289.282	0.055	20	30		CCEDRM
C#CCN(CC(=O)[O-])C(=O)N[C@H]1CCC2(C1)OCCO2	ZINC001588410527	958140451	/nfs/dbraw/zinc/14/04/51/958140451.db2.gz	WQIYCOOERAJDEC-JTQLQIEISA-N	-1	0	282.296	0.011	20	30		CCEDRM
C#CCN(CC(=O)[O-])C(=O)Nc1cccc(OC)n1	ZINC001588412342	958150247	/nfs/dbraw/zinc/15/02/47/958150247.db2.gz	BLKUCFHONDHJRS-UHFFFAOYSA-N	-1	0	263.253	0.642	20	30		CCEDRM
C[C@@H](CC(=O)[O-])NS(=O)(=O)c1ccc(CC#N)cc1	ZINC000092130681	958157820	/nfs/dbraw/zinc/15/78/20/958157820.db2.gz	ZQMGEFKDGKQFSQ-VIFPVBQESA-N	-1	0	282.321	0.894	20	30		CCEDRM
C#CCN(CC(=O)[O-])C(=O)c1ccc(C)nc1NC	ZINC001588415851	958159135	/nfs/dbraw/zinc/15/91/35/958159135.db2.gz	BLPGQFPGYYRLMC-UHFFFAOYSA-N	-1	0	261.281	0.592	20	30		CCEDRM
C#CCN(CC(=O)[O-])C(=O)c1ccc(Cn2ccnn2)o1	ZINC001588416272	958163110	/nfs/dbraw/zinc/16/31/10/958163110.db2.gz	KXJFDDRKIGFEAR-UHFFFAOYSA-N	-1	0	288.263	0.079	20	30		CCEDRM
C#CCN(CC(=O)[O-])C(=O)c1c(C)coc1CC(=O)OC	ZINC001588417244	958169659	/nfs/dbraw/zinc/16/96/59/958169659.db2.gz	DKTFGLCABPGCCZ-UHFFFAOYSA-N	-1	0	293.275	0.464	20	30		CCEDRM
C#CCN(CC(=O)[O-])C(=O)[C@H]1CC[C@@H](CCC(=O)OC)O1	ZINC001588417410	958172861	/nfs/dbraw/zinc/17/28/61/958172861.db2.gz	MYMWDNYCYUETIQ-WDEREUQCSA-N	-1	0	297.307	0.034	20	30		CCEDRM
C#CCN(CC(=O)[O-])C(=O)c1cn(CCC=C)nn1	ZINC001588418363	958177231	/nfs/dbraw/zinc/17/72/31/958177231.db2.gz	CEPHAKSXIVWBIX-UHFFFAOYSA-N	-1	0	262.269	0.014	20	30		CCEDRM
C#CCN(CC(=O)[O-])C(=O)c1cnn(CC(F)(F)F)c1	ZINC001588418357	958177294	/nfs/dbraw/zinc/17/72/94/958177294.db2.gz	BZWRBHNIRCICJU-UHFFFAOYSA-N	-1	0	289.213	0.605	20	30		CCEDRM
C[C@H]1[C@H](C(=O)[O-])CCN1C(=O)c1ccc(C#N)cn1	ZINC000092917150	958182787	/nfs/dbraw/zinc/18/27/87/958182787.db2.gz	BOJDBESAWMQCBE-WCBMZHEXSA-N	-1	0	259.265	0.888	20	30		CCEDRM
C#CCN(CC(=O)[O-])[C@@H]1CCC2(C[C@H]1F)OCCO2	ZINC001588419923	958196212	/nfs/dbraw/zinc/19/62/12/958196212.db2.gz	IBEAACVXKFJSQU-GHMZBOCLSA-N	-1	0	271.288	0.640	20	30		CCEDRM
C#CCN(CC(=O)[O-])[C@@H](C(=O)OC)c1cccc(OC)c1	ZINC001588420355	958203951	/nfs/dbraw/zinc/20/39/51/958203951.db2.gz	XEXMLCXFGRGGSB-CQSZACIVSA-N	-1	0	291.303	0.929	20	30		CCEDRM
C#CCN(CC(=O)[O-])Cc1ccc(C(=O)N(C)C)[nH]1	ZINC001588424688	958219900	/nfs/dbraw/zinc/21/99/00/958219900.db2.gz	VYBPDWRRORYQCB-UHFFFAOYSA-N	-1	0	263.297	0.236	20	30		CCEDRM
C#CCN(CC(=O)[O-])Cc1c2c(nn1C)CCSC2	ZINC001588424654	958219920	/nfs/dbraw/zinc/21/99/20/958219920.db2.gz	VKWGVJMGSQSTAF-UHFFFAOYSA-N	-1	0	279.365	0.729	20	30		CCEDRM
C#CCN(CC(=O)[O-])Cc1cn(-c2ccccc2)nn1	ZINC001588425192	958222862	/nfs/dbraw/zinc/22/28/62/958222862.db2.gz	IBKHACKTKFXYQO-UHFFFAOYSA-N	-1	0	270.292	0.787	20	30		CCEDRM
C#CCN(CC(=O)[O-])Cc1cnnn1-c1ccccc1	ZINC001588425455	958225529	/nfs/dbraw/zinc/22/55/29/958225529.db2.gz	SBWUCINJKSDNHC-UHFFFAOYSA-N	-1	0	270.292	0.787	20	30		CCEDRM
C#CCN(CC(=O)[O-])Cc1ncc(COC)s1	ZINC001588425473	958225922	/nfs/dbraw/zinc/22/59/22/958225922.db2.gz	UEWOBVIJSLWZOB-UHFFFAOYSA-N	-1	0	254.311	0.809	20	30		CCEDRM
C#CCN(CC(=O)[O-])c1nnc(CN2CCCC2)n1CC	ZINC001588427326	958244372	/nfs/dbraw/zinc/24/43/72/958244372.db2.gz	UHAXYGAQVBPHDN-UHFFFAOYSA-N	-1	0	291.355	0.418	20	30		CCEDRM
C#CCNC(=O)[C@@H](C)OC(=O)[C@@H](C(=O)[O-])C(C)C	ZINC001588430222	958252353	/nfs/dbraw/zinc/25/23/53/958252353.db2.gz	JWTYDLZDDHNBEV-RKDXNWHRSA-N	-1	0	255.270	0.024	20	30		CCEDRM
C#CCO[C@H](C)C(=O)N1CCC(C)(C(=O)[O-])CC1	ZINC001588430907	958261376	/nfs/dbraw/zinc/26/13/76/958261376.db2.gz	IFXMOHIEQRVVGH-SNVBAGLBSA-N	-1	0	253.298	0.738	20	30		CCEDRM
C#CCn1ccc(CN(CC)C(=O)N[C@H](C)CC(=O)[O-])n1	ZINC001588434193	958304934	/nfs/dbraw/zinc/30/49/34/958304934.db2.gz	ZVSZJPBEAKVIOD-LLVKDONJSA-N	-1	0	292.339	0.911	20	30		CCEDRM
C=CCNC(=O)CN1CC[C@@](C(=O)[O-])(C(F)(F)F)C1	ZINC000104196440	958363179	/nfs/dbraw/zinc/36/31/79/958363179.db2.gz	GYCDUFZEHYDEGT-SNVBAGLBSA-N	-1	0	280.246	0.628	20	30		CCEDRM
C=CC(C)(C)Cn1nnnc1N1CC[C@@H](C(=O)[O-])C1	ZINC001588450281	958387959	/nfs/dbraw/zinc/38/79/59/958387959.db2.gz	CDSXLFMLFDBJFN-SECBINFHSA-N	-1	0	265.317	0.796	20	30		CCEDRM
C=CC[C@H](CC)NC(=O)[C@@H]1CCCN(CC(=O)[O-])C1=O	ZINC001588453475	958439364	/nfs/dbraw/zinc/43/93/64/958439364.db2.gz	XZOHHOXKHRBCCC-QWRGUYRKSA-N	-1	0	282.340	0.781	20	30		CCEDRM
C=CCCONC(=O)[C@@H]1CO[C@H](CCC(=O)[O-])C1	ZINC001588460387	958474863	/nfs/dbraw/zinc/47/48/63/958474863.db2.gz	DBKFFOMJVUQPDH-VHSXEESVSA-N	-1	0	257.286	0.880	20	30		CCEDRM
C=CCN(C(=O)C(=O)N(C)C[C@@H](C)C(=O)[O-])C(C)C	ZINC001588460487	958476370	/nfs/dbraw/zinc/47/63/70/958476370.db2.gz	KMRQNEZPFLFPHM-SNVBAGLBSA-N	-1	0	270.329	0.589	20	30		CCEDRM
COc1ccc(OC)c2c1NC(=O)C2=NNCCC(=O)[O-]	ZINC001594109610	958503342	/nfs/dbraw/zinc/50/33/42/958503342.db2.gz	SPEVVVVXIGCECO-UHFFFAOYSA-N	-1	0	293.279	0.424	20	30		CCEDRM
C=CCOCCNC(=O)C(=O)Nc1cncc(C(=O)[O-])c1	ZINC001588466296	958510337	/nfs/dbraw/zinc/51/03/37/958510337.db2.gz	IHFDYKNGUVQOLB-UHFFFAOYSA-N	-1	0	293.279	0.037	20	30		CCEDRM
C=CCn1c([C@H](O)C=C)nnc1N1CCC[C@@H](C(=O)[O-])C1	ZINC001588470049	958521530	/nfs/dbraw/zinc/52/15/30/958521530.db2.gz	AETUKEDFCHCUND-GHMZBOCLSA-N	-1	0	292.339	0.985	20	30		CCEDRM
C=CCn1c(C[C@@H](C)O)nnc1N1CCC[C@@H](C(=O)[O-])C1	ZINC001588471567	958535004	/nfs/dbraw/zinc/53/50/04/958535004.db2.gz	BBKSGHJPGMNKQZ-GHMZBOCLSA-N	-1	0	294.355	0.688	20	30		CCEDRM
C=CCn1nnnc1N1CCC(CCC(=O)[O-])CC1	ZINC001588474753	958558841	/nfs/dbraw/zinc/55/88/41/958558841.db2.gz	OWMSPNVADNLDEQ-UHFFFAOYSA-N	-1	0	265.317	0.940	20	30		CCEDRM
CC#CCCNC(=O)[C@@H]1CO[C@@H](CCC(=O)[O-])C1	ZINC001588478829	958573887	/nfs/dbraw/zinc/57/38/87/958573887.db2.gz	MDMJRGXIGIKEAQ-QWRGUYRKSA-N	-1	0	253.298	0.786	20	30		CCEDRM
C[C@@](C#N)(CC(=O)[O-])C(=O)N=S1(=O)CCOCC1	ZINC001573359855	958588366	/nfs/dbraw/zinc/58/83/66/958588366.db2.gz	KWTYCFUXSXJNSN-JTQLQIEISA-N	-1	0	274.298	0.016	20	30		CCEDRM
C[C@H](C(=O)N1[C@H](C)CCC[C@@H]1C(=O)[O-])n1cnc(C#N)n1	ZINC001573363108	958605144	/nfs/dbraw/zinc/60/51/44/958605144.db2.gz	HWMUQXFILZWMTH-OPRDCNLKSA-N	-1	0	291.311	0.565	20	30		CCEDRM
C[C@](C#N)(CC(=O)[O-])C(=O)NCC1(CF)CCOCC1	ZINC001573365558	958622466	/nfs/dbraw/zinc/62/24/66/958622466.db2.gz	WEZDTEWUIGLMMI-GFCCVEGCSA-N	-1	0	286.303	0.873	20	30		CCEDRM
N#C[C@@H]1CN(C(=O)Nc2ccc(C(=O)[O-])nc2)CCO1	ZINC000128676986	958676979	/nfs/dbraw/zinc/67/69/79/958676979.db2.gz	BGFOKSNJUZMTIT-SECBINFHSA-N	-1	0	276.252	0.536	20	30		CCEDRM
C[C@@](C#N)(CC(=O)[O-])C(=O)N1CCN(C(=O)C2CC2)C1	ZINC001588537895	958935176	/nfs/dbraw/zinc/93/51/76/958935176.db2.gz	AFSZSDRVMRFHNI-ZDUSSCGKSA-N	-1	0	279.296	0.029	20	30		CCEDRM
C[C@H](C#N)CNC(=O)N1C[C@@H](C)C[C@H](C(=O)[O-])C1	ZINC001588542666	958972033	/nfs/dbraw/zinc/97/20/33/958972033.db2.gz	BODVXELJJLFNPP-AEJSXWLSSA-N	-1	0	253.302	0.898	20	30		CCEDRM
C[C@@H](C#N)CN(CN1C[C@H](C(=O)[O-])CC1=O)C1CC1	ZINC001588542904	958974794	/nfs/dbraw/zinc/97/47/94/958974794.db2.gz	FOYKSYOSUUMJFV-VHSXEESVSA-N	-1	0	265.313	0.501	20	30		CCEDRM
C[C@@H](C(=O)NC[C@H](C(=O)[O-])C1CCC1)n1cnc(C#N)n1	ZINC001588554693	959047603	/nfs/dbraw/zinc/04/76/03/959047603.db2.gz	UCWDLORRAQDYJD-WPRPVWTQSA-N	-1	0	291.311	0.328	20	30		CCEDRM
CC(C)C[C@@H](C(N)=O)N(C)C(=O)[C@@](C)(C#N)CC(=O)[O-]	ZINC001573524401	959137785	/nfs/dbraw/zinc/13/77/85/959137785.db2.gz	FGZHCFYAUSRDAT-TVQRCGJNSA-N	-1	0	283.328	0.349	20	30		CCEDRM
C[C@@H](NC(=O)C(=O)Nc1ccc(OCC#N)cc1)C(=O)[O-]	ZINC001594199736	959236276	/nfs/dbraw/zinc/23/62/76/959236276.db2.gz	KVVSOLDZXVXTNQ-MRVPVSSYSA-N	-1	0	291.263	0.117	20	30		CCEDRM
C[C@@H]1C[C@@]1(C(=O)[O-])C(=O)N1CCN(C2CC2)[C@H](C#N)C1	ZINC001594223450	959399427	/nfs/dbraw/zinc/39/94/27/959399427.db2.gz	FFCGDIZRANOGHY-UDZFHETQSA-N	-1	0	277.324	0.296	20	30		CCEDRM
C[C@H](NC(=O)[C@](C)(C#N)CC(=O)[O-])c1ncc[nH]1	ZINC001594232980	959483937	/nfs/dbraw/zinc/48/39/37/959483937.db2.gz	MFCCTVFDCBFWKU-CPCISQLKSA-N	-1	0	250.258	0.591	20	30		CCEDRM
CC(C)(C#N)CCCN1CCS(=O)(=O)C[C@H]1C(=O)[O-]	ZINC001588607160	959484842	/nfs/dbraw/zinc/48/48/42/959484842.db2.gz	PXEJARFHVOSATA-JTQLQIEISA-N	-1	0	288.369	0.500	20	30		CCEDRM
CC(C)(C#N)CNC(=O)[C@@H]1CO[C@H](CCC(=O)[O-])C1	ZINC001588607873	959497273	/nfs/dbraw/zinc/49/72/73/959497273.db2.gz	WTPAWIKXJOGZDA-VHSXEESVSA-N	-1	0	268.313	0.922	20	30		CCEDRM
C#C[C@H](CCC)NC(=O)NCCn1cc(C(=O)[O-])nn1	ZINC000230019281	960109072	/nfs/dbraw/zinc/10/90/72/960109072.db2.gz	BUWPDWKQGYGQBM-SECBINFHSA-N	-1	0	279.300	0.077	20	30		CCEDRM
COc1ncc(NC(=O)[C@](C)(C#N)CC(=O)[O-])cc1C#N	ZINC001574244115	960478106	/nfs/dbraw/zinc/47/81/06/960478106.db2.gz	CPKXGSCVGRZHCW-ZDUSSCGKSA-N	-1	0	288.263	0.905	20	30		CCEDRM
N#Cc1ccc(NCC(=O)N2CCCC[C@H]2C(=O)[O-])nc1	ZINC001574249158	960500720	/nfs/dbraw/zinc/50/07/20/960500720.db2.gz	GBHWUYTYUYPFML-NSHDSACASA-N	-1	0	288.307	0.831	20	30		CCEDRM
N#Cc1cccc(S(=O)(=O)NCCC(=O)[O-])c1Cl	ZINC001574249996	960507516	/nfs/dbraw/zinc/50/75/16/960507516.db2.gz	QFIZTCTYXYBDNX-UHFFFAOYSA-N	-1	0	288.712	0.965	20	30		CCEDRM
N#Cc1ccc(S(=O)(=O)N2CCC(C(=O)[O-])CC2)nc1	ZINC001574250207	960507532	/nfs/dbraw/zinc/50/75/32/960507532.db2.gz	VMTXYPAKLRNKPX-UHFFFAOYSA-N	-1	0	295.320	0.439	20	30		CCEDRM
C[C@@](O)(CNC(=O)c1cccc(SCC#N)c1)C(=O)[O-]	ZINC001571050542	960667990	/nfs/dbraw/zinc/66/79/90/960667990.db2.gz	FWLKAHXRVCAWDM-CYBMUJFWSA-N	-1	0	294.332	0.868	20	30		CCEDRM
Cc1c(C#N)c(NC(=O)[C@H]2CC[C@H]2C(=O)[O-])nn1C	ZINC001574299080	960721481	/nfs/dbraw/zinc/72/14/81/960721481.db2.gz	WYCBOYWPYBULMT-JGVFFNPUSA-N	-1	0	262.269	0.650	20	30		CCEDRM
N#CCc1ccc(C(=O)N[C@H](Cc2c[nH]cn2)C(=O)[O-])cc1	ZINC001571065888	960820692	/nfs/dbraw/zinc/82/06/92/960820692.db2.gz	CIQUHZJIZVQQIT-CYBMUJFWSA-N	-1	0	298.302	0.901	20	30		CCEDRM
N#Cc1c(-c2ccccc2)nnn1CC(=O)NCCC(=O)[O-]	ZINC001571065959	960822940	/nfs/dbraw/zinc/82/29/40/960822940.db2.gz	ARTFXGTWNCVBOM-UHFFFAOYSA-N	-1	0	299.290	0.408	20	30		CCEDRM
CC[N@H+](Cc1cc(=O)n2[n-]cc(C#N)c2n1)[C@H](C)C(=O)[O-]	ZINC001573881540	961280981	/nfs/dbraw/zinc/28/09/81/961280981.db2.gz	PVVVCSKNDQRWBS-MRVPVSSYSA-N	-1	0	289.295	0.602	20	30		CCEDRM
Cc1[nH]nc(NC(=O)c2cc(C(=O)[O-])nn2C)c1C#N	ZINC001574416103	961316547	/nfs/dbraw/zinc/31/65/47/961316547.db2.gz	RTEQJNRLJLSSPF-UHFFFAOYSA-N	-1	0	274.240	0.274	20	30		CCEDRM
CCOC(=O)CC[C@H](C)NC(=O)[C@@](C)(C#N)CC(=O)[O-]	ZINC001573894215	961370229	/nfs/dbraw/zinc/37/02/29/961370229.db2.gz	AMQLUUVVAQMLPK-TVQRCGJNSA-N	-1	0	284.312	0.839	20	30		CCEDRM
Cn1cc(C#N)c(NC(=O)N[C@H]2C[C@H](C(=O)[O-])C2)n1	ZINC001574449584	961467153	/nfs/dbraw/zinc/46/71/53/961467153.db2.gz	MNSWPTRJDHGEOW-FKQCQYRASA-N	-1	0	263.257	0.276	20	30		CCEDRM
CCOC(OCC)[C@H](C)NC(=O)[C@](C)(C#N)CC(=O)[O-]	ZINC001573908676	961471786	/nfs/dbraw/zinc/47/17/86/961471786.db2.gz	SIQYNSBAULCNSL-ZANVPECISA-N	-1	0	286.328	0.895	20	30		CCEDRM
N#CCOc1ccc(NC(=O)[C@@H]2CC(C(=O)[O-])=NO2)cc1	ZINC001574480276	961660276	/nfs/dbraw/zinc/66/02/76/961660276.db2.gz	DDGGMLQFYGOPOW-NSHDSACASA-N	-1	0	289.247	0.757	20	30		CCEDRM
N#CC1(CNC(=O)c2cn(CC(=O)[O-])nn2)CCCCC1	ZINC001574480318	961660337	/nfs/dbraw/zinc/66/03/37/961660337.db2.gz	FETKOCUCUCJITR-UHFFFAOYSA-N	-1	0	291.311	0.567	20	30		CCEDRM
N#C[C@@H]1CN(C(=O)[C@@H]2CC[C@H]2C(=O)[O-])CCN1C1CC1	ZINC001574480602	961665530	/nfs/dbraw/zinc/66/55/30/961665530.db2.gz	NABXAQAGBUWSGT-IJLUTSLNSA-N	-1	0	277.324	0.296	20	30		CCEDRM
N#Cc1cccc(C(=O)N2C[C@H]3COC[C@@]3(C(=O)[O-])C2)c1	ZINC001574489753	961706792	/nfs/dbraw/zinc/70/67/92/961706792.db2.gz	NVODFPCWKNTCJP-WFASDCNBSA-N	-1	0	286.287	0.731	20	30		CCEDRM
CN(C(=O)[C@@](C)(C#N)CC(=O)[O-])[C@@H]1CCC[C@H]1O	ZINC001573980301	961768203	/nfs/dbraw/zinc/76/82/03/961768203.db2.gz	SKEHWBHCSDCENK-KBVBSXBZSA-N	-1	0	254.286	0.363	20	30		CCEDRM
CN(C(=O)c1cn(CC(=O)[O-])nn1)[C@@H]1CCC[C@@H]1C#N	ZINC001573982567	961773393	/nfs/dbraw/zinc/77/33/93/961773393.db2.gz	ABBJHRNWBPKZGO-PSASIEDQSA-N	-1	0	277.284	0.127	20	30		CCEDRM
CC(C)C1(O)CN(C(=O)[C@](C)(C#N)CC(=O)[O-])C1	ZINC001588839076	961781965	/nfs/dbraw/zinc/78/19/65/961781965.db2.gz	RCPIHNINIOXGLH-NSHDSACASA-N	-1	0	254.286	0.220	20	30		CCEDRM
CC(C)Cn1ncnc1COC(=O)[C@@](C)(C#N)CC(=O)[O-]	ZINC001588912225	962324712	/nfs/dbraw/zinc/32/47/12/962324712.db2.gz	FWTYOVGMJVCKCU-CYBMUJFWSA-N	-1	0	294.311	0.982	20	30		CCEDRM
C#CCCCCCC(=O)NC1CN(C(=O)CNC(=O)[O-])C1	ZINC001573301407	962626179	/nfs/dbraw/zinc/62/61/79/962626179.db2.gz	AGQZYOKGAVEDSS-UHFFFAOYSA-N	-1	0	295.339	0.165	20	30		CCEDRM
C#C[C@@H](CO)NC(=O)Nc1ccc(C(=O)[O-])cc1F	ZINC001573302569	962656879	/nfs/dbraw/zinc/65/68/79/962656879.db2.gz	OCSOYEGYMWFZFH-QMMMGPOBSA-N	-1	0	266.228	0.640	20	30		CCEDRM
C#CC[C@H](NC(=O)c1cc(F)cc(F)c1N)C(=O)[O-]	ZINC001573303207	962673459	/nfs/dbraw/zinc/67/34/59/962673459.db2.gz	LSUXWAMNNSUYKJ-VIFPVBQESA-N	-1	0	268.219	0.753	20	30		CCEDRM
C#CCCCC(=O)N(C)C[C@@H]1CCN1C(=O)CNC(=O)[O-]	ZINC001573303441	962677480	/nfs/dbraw/zinc/67/74/80/962677480.db2.gz	NSYRPGAQXDQSGR-NSHDSACASA-N	-1	0	295.339	0.117	20	30		CCEDRM
C=C(C)C[C@@H](NC(=O)c1[nH]c(=O)[nH]c(=O)c1OC)C(=O)[O-]	ZINC001573321691	962760276	/nfs/dbraw/zinc/76/02/76/962760276.db2.gz	PWARRZUYZRIXSB-ZCFIWIBFSA-N	-1	0	297.267	0.046	20	30		CCEDRM
C[C@@H](CC#N)NC(=O)C(=O)Nc1ccccc1C(=O)[O-]	ZINC001588987691	962763378	/nfs/dbraw/zinc/76/33/78/962763378.db2.gz	BBRLAKLMIVJFAI-QMMMGPOBSA-N	-1	0	275.264	0.742	20	30		CCEDRM
C=C(C)C[C@@H](NC(=O)Cc1ccc(C(N)=O)nc1)C(=O)[O-]	ZINC001573322213	962766973	/nfs/dbraw/zinc/76/69/73/962766973.db2.gz	VUYLVKGYVKMQPZ-LLVKDONJSA-N	-1	0	291.307	0.259	20	30		CCEDRM
C[C@H](CC#N)NC(=O)[C@H]1CO[C@H](CCC(=O)[O-])C1	ZINC001588988127	962775500	/nfs/dbraw/zinc/77/55/00/962775500.db2.gz	UFYJVSRSTNWTJJ-OPRDCNLKSA-N	-1	0	254.286	0.675	20	30		CCEDRM
C[C@@H](CC#N)C(=O)N[C@@H](Cc1ccncc1)C(=O)[O-]	ZINC001588988246	962777288	/nfs/dbraw/zinc/77/72/88/962777288.db2.gz	XZDFUKKFNBNMJR-ONGXEEELSA-N	-1	0	261.281	0.743	20	30		CCEDRM
C=CCC[C@H]1CCCN1C(=O)Cn1cc(C(=O)[O-])nn1	ZINC001517414295	962788628	/nfs/dbraw/zinc/78/86/28/962788628.db2.gz	GORGCDAHTSTFMU-JTQLQIEISA-N	-1	0	278.312	0.934	20	30		CCEDRM
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@H]1CC[C@H]1C(=O)[O-]	ZINC001573325985	962800916	/nfs/dbraw/zinc/80/09/16/962800916.db2.gz	QAHNWHUBDRIYAM-RCWTZXSCSA-N	-1	0	253.298	0.947	20	30		CCEDRM
C=C(CCC(=O)[O-])C(=O)NCc1cc(=O)cc[nH]1	ZINC001573331870	962818420	/nfs/dbraw/zinc/81/84/20/962818420.db2.gz	ARCAJTDDDCKDTE-UHFFFAOYSA-N	-1	0	250.254	0.412	20	30		CCEDRM
C=C(CCC(=O)[O-])C(=O)N1CC[C@@H](CN2CCCC2=O)C1	ZINC001573332002	962822686	/nfs/dbraw/zinc/82/26/86/962822686.db2.gz	GPZIDLVBKBXQBS-LBPRGKRZSA-N	-1	0	294.351	0.878	20	30		CCEDRM
C=C(Cl)CN1CC[C@@H](NC(=O)CNC(=O)[O-])C[C@H]1C	ZINC001573338456	962875161	/nfs/dbraw/zinc/87/51/61/962875161.db2.gz	BKMQENPIZVBUDQ-NXEZZACHSA-N	-1	0	289.763	0.976	20	30		CCEDRM
C=C(CCC(=O)OC)C(=O)NC(C)(C)CC(=O)[O-]	ZINC001573338452	962875318	/nfs/dbraw/zinc/87/53/18/962875318.db2.gz	BIIBSIYXYBYYFH-UHFFFAOYSA-N	-1	0	257.286	0.865	20	30		CCEDRM
C=C(Cl)CN(CC)CCNC(=O)[C@H]1C[C@H]1C(=O)[O-]	ZINC001573338686	962879991	/nfs/dbraw/zinc/87/99/91/962879991.db2.gz	GBGYKRBWLMYVMO-VHSXEESVSA-N	-1	0	274.748	0.898	20	30		CCEDRM
C=C(Cl)CN1CCC[C@H](CNC(=O)CNC(=O)[O-])C1	ZINC001573339344	962889360	/nfs/dbraw/zinc/88/93/60/962889360.db2.gz	QSGHAZBRYJSNIO-SNVBAGLBSA-N	-1	0	289.763	0.835	20	30		CCEDRM
C=C1CC(C)(C(=O)NC[C@@H](C)NC(=O)CNC(=O)[O-])C1	ZINC001573343694	962907447	/nfs/dbraw/zinc/90/74/47/962907447.db2.gz	IRAGEGCHQJHRQG-SECBINFHSA-N	-1	0	283.328	0.231	20	30		CCEDRM
C=C1CC(C)(C(=O)NC[C@@]2(C(=O)[O-])CCOC2)C1	ZINC001573343861	962909171	/nfs/dbraw/zinc/90/91/71/962909171.db2.gz	KGLWRVUJZAQCKM-ZDUSSCGKSA-N	-1	0	253.298	0.950	20	30		CCEDRM
C=C[C@@](C)(CC)C(=O)N[C@@H](CC1OCCO1)C(=O)[O-]	ZINC001573346607	962940865	/nfs/dbraw/zinc/94/08/65/962940865.db2.gz	DSEKIKFETWBBHP-ZANVPECISA-N	-1	0	271.313	0.921	20	30		CCEDRM
CC[C@@H](CNC(=O)Nc1nn(C)cc1C#N)C(=O)[O-]	ZINC001570985478	963120109	/nfs/dbraw/zinc/12/01/09/963120109.db2.gz	ZCOOBVWSOADDDP-ZETCQYMHSA-N	-1	0	265.273	0.524	20	30		CCEDRM
C[C@H]1CN(C(=O)CSCC#N)CC[C@H]1C(=O)[O-]	ZINC000304445091	963145006	/nfs/dbraw/zinc/14/50/06/963145006.db2.gz	WGFBFUWGZNAMSU-DTWKUNHWSA-N	-1	0	256.327	0.812	20	30		CCEDRM
N#Cc1ccc(N2CC(c3cc(C(=O)[O-])n[nH]3)C2)nn1	ZINC001570995642	963179517	/nfs/dbraw/zinc/17/95/17/963179517.db2.gz	XHFYDMQYRXHONO-UHFFFAOYSA-N	-1	0	270.252	0.373	20	30		CCEDRM
Cc1cc(NC(=O)NC[C@H](O)CC(=O)[O-])ncc1C#N	ZINC001571008571	963262399	/nfs/dbraw/zinc/26/23/99/963262399.db2.gz	KSKCEOGYIQBBPN-SECBINFHSA-N	-1	0	278.268	0.219	20	30		CCEDRM
C=C[C@@H](C(=O)[O-])[N@@H+]1CCC[C@H](CS(C)(=O)=O)C1	ZINC000310104723	963381902	/nfs/dbraw/zinc/38/19/02/963381902.db2.gz	COQWPRYLFGSEMF-UWVGGRQHSA-N	-1	0	261.343	0.382	20	30		CCEDRM
C=C(Cl)Cn1nnnc1N1CCC(C(=O)[O-])CC1	ZINC001588445356	964065216	/nfs/dbraw/zinc/06/52/16/964065216.db2.gz	GLEYNWHIWAEOBR-UHFFFAOYSA-N	-1	0	271.708	0.727	20	30		CCEDRM
C#CCCCS(=O)(=O)NCc1cc(C(=O)[O-])co1	ZINC001588446246	964070028	/nfs/dbraw/zinc/07/00/28/964070028.db2.gz	BIXCYXAERQUOPJ-UHFFFAOYSA-N	-1	0	271.294	0.811	20	30		CCEDRM
C#CCN(CC(=O)[O-])C(=O)N[C@H]1CSC[C@@H]1C	ZINC000397864280	968260381	/nfs/dbraw/zinc/26/03/81/968260381.db2.gz	ZHVQHBCPKNOKBC-IUCAKERBSA-N	-1	0	256.327	0.467	20	30		CCEDRM
C[C@@](C#N)(CC(=O)[O-])C(=O)OCC(=O)[C@@H]1CCCOC1	ZINC001609693054	970453421	/nfs/dbraw/zinc/45/34/21/970453421.db2.gz	RFCNAWZPRUSOSI-RNCFNFMXSA-N	-1	0	283.280	0.530	20	30		CCEDRM
C[C@@](C#N)(CC(=O)[O-])C(=O)OCc1csnn1	ZINC001609696253	970456354	/nfs/dbraw/zinc/45/63/54/970456354.db2.gz	GJWCWNPJZXIMJE-VIFPVBQESA-N	-1	0	255.255	0.586	20	30		CCEDRM
C[C@H](CC(=O)[O-])NC(=O)C(=O)Nc1cccc(CC#N)c1	ZINC001609865371	970557611	/nfs/dbraw/zinc/55/76/11/970557611.db2.gz	XDDNHIMCUIDZAV-SECBINFHSA-N	-1	0	289.291	0.671	20	30		CCEDRM
C=CCC[C@H](CO)NS(=O)(=O)c1ccc(C(=O)[O-])o1	ZINC000320144081	970619902	/nfs/dbraw/zinc/61/99/02/970619902.db2.gz	MJQTXCPTPHVWKA-MRVPVSSYSA-N	-1	0	289.309	0.583	20	30		CCEDRM
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C[C@H](OC(=O)[C@@H](C)C(=O)[O-])C(=O)NC1(C#N)CCC1	ZINC001609982693	970629968	/nfs/dbraw/zinc/62/99/68/970629968.db2.gz	JJSMNFXWDVNTTA-YUMQZZPRSA-N	-1	0	268.269	0.201	20	30		CCEDRM
CC[C@H](NC(=O)[C@](C)(C#N)CC(=O)[O-])[C@H](O)C(C)C	ZINC001610132631	970678764	/nfs/dbraw/zinc/67/87/64/970678764.db2.gz	BOVLRHHJPNDXQZ-NDMJEZRESA-N	-1	0	270.329	0.903	20	30		CCEDRM
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CC1(C)C[C@@]1(C(=O)[O-])C(=O)OCC(=O)NCCC#N	ZINC001603323910	972663950	/nfs/dbraw/zinc/66/39/50/972663950.db2.gz	MZGKNODLVDHMRW-GFCCVEGCSA-N	-1	0	268.269	0.060	20	30		CCEDRM
CO[C@H](C(=O)[O-])C(=O)OCc1cc(F)ccc1C#N	ZINC001604444994	973256483	/nfs/dbraw/zinc/25/64/83/973256483.db2.gz	GLHGPBMVKBZANN-SNVBAGLBSA-N	-1	0	267.212	0.840	20	30		CCEDRM
COCC#CC(=O)N[C@@H](C(=O)[O-])c1ccc(F)cc1	ZINC001604505012	973432384	/nfs/dbraw/zinc/43/23/84/973432384.db2.gz	MPOGZEWNPFCFQV-GFCCVEGCSA-N	-1	0	265.240	0.717	20	30		CCEDRM
CC[C@H](CC#N)OC(=O)[C@H]1CCCN(CC(=O)[O-])C1=O	ZINC001603515871	973524370	/nfs/dbraw/zinc/52/43/70/973524370.db2.gz	IODWFRHGEWJFCT-ZJUUUORDSA-N	-1	0	282.296	0.545	20	30		CCEDRM
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C=C(C)C[C@H](C)C(=O)OCC(=O)NCCC(=O)[O-]	ZINC001588535677	983590237	/nfs/dbraw/zinc/59/02/37/983590237.db2.gz	KIQOHSJHQOOLMI-VIFPVBQESA-N	-1	0	257.286	0.723	20	30		CCEDRM
C=C(C)C[C@@H](NC(=O)[C@@H]1CC[C@H](C(=O)OC)O1)C(=O)[O-]	ZINC001588542887	983610069	/nfs/dbraw/zinc/61/00/69/983610069.db2.gz	AJSBZBHEAHAYSX-KXUCPTDWSA-N	-1	0	285.296	0.243	20	30		CCEDRM
CCN(CC(=O)[O-])CC(=O)N[C@@](C)(C#N)C1CC1	ZINC001596222581	983615208	/nfs/dbraw/zinc/61/52/08/983615208.db2.gz	WWKFZGCABPVANH-LBPRGKRZSA-N	-1	0	253.302	0.201	20	30		CCEDRM
C=C(C)C[C@H](NC(C)=O)C(=O)N1CC[C@@H](C(=O)[O-])[C@H]1C	ZINC001588548963	983625973	/nfs/dbraw/zinc/62/59/73/983625973.db2.gz	ZXXIGCPLZFJZIB-JLLWLGSASA-N	-1	0	282.340	0.779	20	30		CCEDRM
C=C(C)CCC(=O)NC[C@]1(C(=O)[O-])C[C@@H]1S(C)(=O)=O	ZINC001588554559	983631074	/nfs/dbraw/zinc/63/10/74/983631074.db2.gz	JGYBDPYMGCYZJI-JOYOIKCWSA-N	-1	0	289.353	0.347	20	30		CCEDRM
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C=C(CCC(=O)[O-])C(=O)N1CC(=O)Nc2cnccc21	ZINC001588611982	983701489	/nfs/dbraw/zinc/70/14/89/983701489.db2.gz	DOHPCYQXFCCMJE-UHFFFAOYSA-N	-1	0	275.264	0.788	20	30		CCEDRM
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C=CC[C@@H](CO)CNS(=O)(=O)CC(C)(C)C(=O)[O-]	ZINC001588737899	984030551	/nfs/dbraw/zinc/03/05/51/984030551.db2.gz	UWLBHPJVASGWGT-SECBINFHSA-N	-1	0	279.358	0.201	20	30		CCEDRM
C=CC[C@H](N[C@H](C[C@H]1CCCO1)C(=O)OC)C(=O)[O-]	ZINC001588746778	984060073	/nfs/dbraw/zinc/06/00/73/984060073.db2.gz	WCJZCBHLQYJJLS-OUAUKWLOSA-N	-1	0	271.313	0.716	20	30		CCEDRM
C=CC[C@@H](Nc1ccc(N2CCNC(=O)C2)nc1)C(=O)[O-]	ZINC001588750871	984074476	/nfs/dbraw/zinc/07/44/76/984074476.db2.gz	HFYMMGNBDQLWBI-LLVKDONJSA-N	-1	0	290.323	0.459	20	30		CCEDRM
C=CC[C@H](OC(=O)[C@@H](C)CS(C)(=O)=O)C(=O)[O-]	ZINC001588752362	984080956	/nfs/dbraw/zinc/08/09/56/984080956.db2.gz	WJMRFCPCZFLNFZ-YUMQZZPRSA-N	-1	0	264.299	0.240	20	30		CCEDRM
C=CC[C@@H](OC(=O)CCc1ccncn1)C(=O)[O-]	ZINC001588753108	984083056	/nfs/dbraw/zinc/08/30/56/984083056.db2.gz	AMGHJQQLNLCBEY-SNVBAGLBSA-N	-1	0	250.254	0.982	20	30		CCEDRM
C=CC[C@@H](OC(=O)C1(n2cnnn2)CCCCC1)C(=O)[O-]	ZINC001588753688	984088111	/nfs/dbraw/zinc/08/81/11/984088111.db2.gz	LRXCPEFZIHDAFG-SNVBAGLBSA-N	-1	0	294.311	0.905	20	30		CCEDRM
C=CCC1(O)CCN(S(=O)(=O)C[C@@H](C)C(=O)[O-])CC1	ZINC001588769143	984132252	/nfs/dbraw/zinc/13/22/52/984132252.db2.gz	NAHPSJMXSHQRKO-SNVBAGLBSA-N	-1	0	291.369	0.440	20	30		CCEDRM
C=CC[C@H]1NC(=O)N(CC(C)(C)CC(=O)[O-])C1=O	ZINC001588773633	984148326	/nfs/dbraw/zinc/14/83/26/984148326.db2.gz	CEAPTOWEMPZBMC-MRVPVSSYSA-N	-1	0	254.286	0.984	20	30		CCEDRM
C=CCCC(=O)NC[C@@H](CC)Nc1ccnc(C(=O)[O-])n1	ZINC001588773760	984149303	/nfs/dbraw/zinc/14/93/03/984149303.db2.gz	IMKGVKCTLHXEBF-SNVBAGLBSA-N	-1	0	292.339	0.870	20	30		CCEDRM
C=CCCC(=O)O[C@@H]1CCCN(CCC(=O)[O-])C1=O	ZINC001588776802	984153683	/nfs/dbraw/zinc/15/36/83/984153683.db2.gz	HFVYKYSBCBJEAQ-SNVBAGLBSA-N	-1	0	269.297	0.962	20	30		CCEDRM
C=CCCC(=O)NC[C@H]1C[C@H](NC(=O)[C@H]2C[C@@H]2C(=O)[O-])C1	ZINC001588776863	984154034	/nfs/dbraw/zinc/15/40/34/984154034.db2.gz	LAMAQPYBGKHEIW-BJDJZHNGSA-N	-1	0	294.351	0.684	20	30		CCEDRM
C=CCCC[C@@H](NC(=O)[C@@H](C)CS(C)(=O)=O)C(=O)[O-]	ZINC001588787706	984187712	/nfs/dbraw/zinc/18/77/12/984187712.db2.gz	XXUDSNDJCFFHLB-VHSXEESVSA-N	-1	0	291.369	0.593	20	30		CCEDRM
C=CCCC[C@@H](NC(=O)[C@H]1CCCNC1=O)C(=O)[O-]	ZINC001588790616	984207057	/nfs/dbraw/zinc/20/70/57/984207057.db2.gz	ZWGBMMYGFGYRNF-VHSXEESVSA-N	-1	0	268.313	0.438	20	30		CCEDRM
C=CCN(C(=O)NCCC(=O)NCCC(=O)[O-])C(C)C	ZINC001588820781	984286271	/nfs/dbraw/zinc/28/62/71/984286271.db2.gz	RMYPISKARAZFAS-UHFFFAOYSA-N	-1	0	285.344	0.573	20	30		CCEDRM
C=CCN1CC[C@H](N(C)Cc2c[nH]c(C(=O)[O-])c2)C1=O	ZINC001588838647	984340083	/nfs/dbraw/zinc/34/00/83/984340083.db2.gz	HVFHXEYQCPYFIY-LBPRGKRZSA-N	-1	0	277.324	0.932	20	30		CCEDRM
C=CCNC(=O)C(=O)Nc1ccc(C(=O)[O-])c(OC)c1	ZINC001588838966	984343579	/nfs/dbraw/zinc/34/35/79/984343579.db2.gz	NAENAHUDXUAGPQ-UHFFFAOYSA-N	-1	0	278.264	0.634	20	30		CCEDRM
C=CCOCC(=O)N1[C@@H]2C[C@@H](C(=O)[O-])O[C@H]2CC[C@H]1C	ZINC001588849946	984377104	/nfs/dbraw/zinc/37/71/04/984377104.db2.gz	QAHVGZUSRWUSMK-WYUUTHIRSA-N	-1	0	283.324	0.811	20	30		CCEDRM
C=CCOC[C@@H](NC(=O)CCCCC#N)C(=O)[O-]	ZINC001588854237	984389359	/nfs/dbraw/zinc/38/93/59/984389359.db2.gz	SHWNVWXBIKICJY-SNVBAGLBSA-N	-1	0	254.286	0.842	20	30		CCEDRM
C=CCOC[C@@H](NC(=O)[C@H]1CCc2nc[nH]c2C1)C(=O)[O-]	ZINC001588855906	984395313	/nfs/dbraw/zinc/39/53/13/984395313.db2.gz	QZWIIIOPOQIBPE-JOYOIKCWSA-N	-1	0	293.323	0.287	20	30		CCEDRM
C=CCOC[C@@H](NC(=O)Cc1ccc(C#N)cc1)C(=O)[O-]	ZINC001588856070	984396435	/nfs/dbraw/zinc/39/64/35/984396435.db2.gz	AZQMIBASWGPZPY-CYBMUJFWSA-N	-1	0	288.303	0.873	20	30		CCEDRM
C=CCOC[C@@H](NC(=O)[C@H](CC)N1CCCC1=O)C(=O)[O-]	ZINC001588856453	984400534	/nfs/dbraw/zinc/40/05/34/984400534.db2.gz	ZOROYPCHSPWLQK-MNOVXSKESA-N	-1	0	298.339	0.159	20	30		CCEDRM
C=CCOC[C@H](NC(=O)c1cc(C=O)oc1C)C(=O)[O-]	ZINC001588859468	984405892	/nfs/dbraw/zinc/40/58/92/984405892.db2.gz	MKXASMHFVIFNEH-NSHDSACASA-N	-1	0	281.264	0.786	20	30		CCEDRM
C=CCOC[C@@H](NC(=O)c1n[nH]c2c1CCC2)C(=O)[O-]	ZINC001588860246	984411796	/nfs/dbraw/zinc/41/17/96/984411796.db2.gz	NNNCZVGISVAVOH-SNVBAGLBSA-N	-1	0	279.296	0.284	20	30		CCEDRM
C=CCOCCCNC(=O)C(=O)N1CCC[C@@H]1CC(=O)[O-]	ZINC001588866300	984424132	/nfs/dbraw/zinc/42/41/32/984424132.db2.gz	FACIGTARWNUWTB-LLVKDONJSA-N	-1	0	298.339	0.161	20	30		CCEDRM
C=CCOCCn1nnnc1N1CC[C@@](C)(C(=O)[O-])C1	ZINC001588868716	984434722	/nfs/dbraw/zinc/43/47/22/984434722.db2.gz	SSBUIVCOPKYGAJ-GFCCVEGCSA-N	-1	0	281.316	0.177	20	30		CCEDRM
C=CCOCCN1C(=O)[C@@H]2CC[C@H](C(=O)[O-])CN2C1=O	ZINC001588869102	984438249	/nfs/dbraw/zinc/43/82/49/984438249.db2.gz	RPGOBCYHAYZHTP-UWVGGRQHSA-N	-1	0	282.296	0.316	20	30		CCEDRM
C=CCn1cc(C(=O)OC[C@@H](CC)C(=O)[O-])nn1	ZINC001588909454	984544241	/nfs/dbraw/zinc/54/42/41/984544241.db2.gz	VGWSUVOHTACJKQ-MRVPVSSYSA-N	-1	0	253.258	0.732	20	30		CCEDRM
C=CCn1nnnc1N1CCC2(C[C@H]2C(=O)[O-])CC1	ZINC001588912540	984551574	/nfs/dbraw/zinc/55/15/74/984551574.db2.gz	JQMDDUVZAQVBIW-VIFPVBQESA-N	-1	0	263.301	0.550	20	30		CCEDRM
C=C[C@@H]1OCC[C@H]1C(=O)Nc1c[nH]nc1C(=O)[O-]	ZINC001588916498	984560941	/nfs/dbraw/zinc/56/09/41/984560941.db2.gz	PNXQIFQDCLGQMY-SVRRBLITSA-N	-1	0	251.242	0.638	20	30		CCEDRM
C=C[C@@H]1OCC[C@H]1C(=O)N[C@H]1C[C@@H](C(=O)[O-])[C@@H]2C[C@@H]21	ZINC001588916504	984561242	/nfs/dbraw/zinc/56/12/42/984561242.db2.gz	PRIMHKLFKJERAC-ZSOJELSESA-N	-1	0	265.309	0.803	20	30		CCEDRM
C=C[C@@H]1OCC[C@H]1C(=O)N[C@H](C[C@@H]1CCCO1)C(=O)[O-]	ZINC001588916898	984564564	/nfs/dbraw/zinc/56/45/64/984564564.db2.gz	JTAWODZVXQUKIS-QCNOEVLYSA-N	-1	0	283.324	0.716	20	30		CCEDRM
CC#CC(=O)N1CC[C@H](C(=O)[O-])C[C@H]1[C@@H]1CCCO1	ZINC001588926335	984593255	/nfs/dbraw/zinc/59/32/55/984593255.db2.gz	SFCMIGXFNFWRSM-SRVKXCTJSA-N	-1	0	265.309	0.881	20	30		CCEDRM
CC#CCN(C)C(=O)C(=O)Nc1ccc(F)cc1C(=O)[O-]	ZINC001588930949	984600419	/nfs/dbraw/zinc/60/04/19/984600419.db2.gz	GOBCIIWZMDYIOM-UHFFFAOYSA-N	-1	0	292.266	0.944	20	30		CCEDRM
CC#CCN(C)S(=O)(=O)[C@H]1CCCC[C@@H]1C(=O)[O-]	ZINC001588931516	984603545	/nfs/dbraw/zinc/60/35/45/984603545.db2.gz	YGKCEZXKVQOCOO-QWRGUYRKSA-N	-1	0	273.354	0.915	20	30		CCEDRM
CCOC(=O)c1cc(C(=O)N(CC#N)CCC(=O)[O-])on1	ZINC001596700348	984870041	/nfs/dbraw/zinc/87/00/41/984870041.db2.gz	KMIYXFLLNSQJGA-UHFFFAOYSA-N	-1	0	295.251	0.292	20	30		CCEDRM
CC(=NNCCC(F)(F)F)c1cn(CC(=O)[O-])nn1	ZINC001589017064	985000739	/nfs/dbraw/zinc/00/07/39/985000739.db2.gz	VIDBQOSTEQDOCV-UHFFFAOYSA-N	-1	0	279.222	0.629	20	30		CCEDRM
C[C@H]1CN(C(=O)CCCCC#N)C[C@@H](C(=O)[O-])O1	ZINC001599916030	985057226	/nfs/dbraw/zinc/05/72/26/985057226.db2.gz	DTXZKIOWGHPRFN-UWVGGRQHSA-N	-1	0	254.286	0.771	20	30		CCEDRM
C[C@H]1CN(C(=O)c2cc(C#N)cs2)C[C@@H](C(=O)[O-])O1	ZINC001599923829	985174071	/nfs/dbraw/zinc/17/40/71/985174071.db2.gz	DREDERBCTNBLBP-CBAPKCEASA-N	-1	0	280.305	0.934	20	30		CCEDRM
CC(=O)N[C@@](C)(C(=O)N(CC#N)CCC(=O)[O-])C(C)C	ZINC001589103633	985321181	/nfs/dbraw/zinc/32/11/81/985321181.db2.gz	IVKLQNKMPMRWNY-CYBMUJFWSA-N	-1	0	283.328	0.364	20	30		CCEDRM
CC(=O)N[C@@H]1CCN(Cc2cccc(C(=O)[O-])c2C#N)C1	ZINC001589121545	985395718	/nfs/dbraw/zinc/39/57/18/985395718.db2.gz	ZWVIBWRZTCZBNJ-GFCCVEGCSA-N	-1	0	287.319	0.967	20	30		CCEDRM
CC(=O)N[C@@H](CSC[C@H](C#N)CCC#N)C(=O)[O-]	ZINC001589157649	985492976	/nfs/dbraw/zinc/49/29/76/985492976.db2.gz	RPHUEBDZMWRXDX-UWVGGRQHSA-N	-1	0	269.326	0.752	20	30		CCEDRM
CCOC[C@@H](C(=O)[O-])N(C)CC(=O)N[C@](C)(C#N)C(C)C	ZINC001596877487	985735825	/nfs/dbraw/zinc/73/58/25/985735825.db2.gz	OGKRJUVTVXZOCV-SMDDNHRTSA-N	-1	0	299.371	0.462	20	30		CCEDRM
C[C@](C#N)(NC(=O)Cn1nc(C(=O)[O-])nc1Cl)C1CC1	ZINC001589323675	986148905	/nfs/dbraw/zinc/14/89/05/986148905.db2.gz	JTAZUHOCCKQEFY-LLVKDONJSA-N	-1	0	297.702	0.438	20	30		CCEDRM
C[C@H](C#N)CN(C)C(=O)Nc1ccc(C(=O)[O-])nn1	ZINC001589329926	986168884	/nfs/dbraw/zinc/16/88/84/986168884.db2.gz	WJWFOHAQBWXQEE-SSDOTTSWSA-N	-1	0	263.257	0.798	20	30		CCEDRM
C[C@@H](C#N)N(C1CC1)S(=O)(=O)[C@H]1CC[C@@H](C(=O)[O-])C1	ZINC001589332138	986197997	/nfs/dbraw/zinc/19/79/97/986197997.db2.gz	ZAJXWIGKKCLRQZ-NGZCFLSTSA-N	-1	0	286.353	0.946	20	30		CCEDRM
CC[C@H](C#N)C(=O)N1CC[C@@H](OC)C[C@H]1C(=O)[O-]	ZINC001594721750	987205068	/nfs/dbraw/zinc/20/50/68/987205068.db2.gz	BTAZBXSJGDAJAN-BBBLOLIVSA-N	-1	0	254.286	0.627	20	30		CCEDRM
C[C@@H](C(=O)OC1CC(CC(=O)[O-])C1)n1cnc(C#N)n1	ZINC001589544006	987263032	/nfs/dbraw/zinc/26/30/32/987263032.db2.gz	UMPAWZWLEVRNAX-UEJVZZJDSA-N	-1	0	278.268	0.507	20	30		CCEDRM
CC(C)(C#N)CNC(=O)N1CCSC[C@@H](C(=O)[O-])C1	ZINC001589554598	987301409	/nfs/dbraw/zinc/30/14/09/987301409.db2.gz	GILQZAAAVRIKTM-VIFPVBQESA-N	-1	0	285.369	0.995	20	30		CCEDRM
CC(C)(C(=O)N[C@@H](CO)C(=O)[O-])c1cc(F)cc(C#N)c1	ZINC001589574727	987348450	/nfs/dbraw/zinc/34/84/50/987348450.db2.gz	HUYSBYBMGNGUQW-NSHDSACASA-N	-1	0	294.282	0.537	20	30		CCEDRM
CC(C)(C)[C@@H](C#N)NS(=O)(=O)c1cncc(C(=O)[O-])c1	ZINC001589700165	987789985	/nfs/dbraw/zinc/78/99/85/987789985.db2.gz	VHJICBIAYWEWOI-SNVBAGLBSA-N	-1	0	297.336	0.996	20	30		CCEDRM
CC(C)(C)N1CCC[C@@H](C(=O)N(CC#N)CC(=O)[O-])C1=O	ZINC001589818384	988272720	/nfs/dbraw/zinc/27/27/20/988272720.db2.gz	QMOUGCDNAUQQHS-JTQLQIEISA-N	-1	0	295.339	0.460	20	30		CCEDRM
CC(C)(C)OC(=O)N1C[C@H](NC(=O)CC(=O)[O-])[C@@H](C#N)C1	ZINC001589910075	988642836	/nfs/dbraw/zinc/64/28/36/988642836.db2.gz	VBERCQWNLVGZNK-IUCAKERBSA-N	-1	0	297.311	0.336	20	30		CCEDRM
C[C@@H](O)[C@H](NC(=O)c1sccc1CC#N)C(=O)[O-]	ZINC001599846016	988932525	/nfs/dbraw/zinc/93/25/25/988932525.db2.gz	PINZTHFAGDZMNY-SVRRBLITSA-N	-1	0	268.294	0.378	20	30		CCEDRM
CCn1c([C@@H]2C[C@@H]2C#N)nnc1N1CCO[C@@H](C(=O)[O-])C1	ZINC001597844716	989558352	/nfs/dbraw/zinc/55/83/52/989558352.db2.gz	QLJWDCITNGZUKD-OPRDCNLKSA-N	-1	0	291.311	0.215	20	30		CCEDRM
CN(C(=O)[C@H]1CC[C@@H](C(=O)[O-])O1)[C@H]1CCC[C@H]1C#N	ZINC001598072018	990367942	/nfs/dbraw/zinc/36/79/42/990367942.db2.gz	FAVYEEUNKJOFOL-MMWGEVLESA-N	-1	0	266.297	0.769	20	30		CCEDRM
CN(C)C[C@@](C)(C#N)NC(=O)CCc1ocnc1C(=O)[O-]	ZINC001598199540	990808235	/nfs/dbraw/zinc/80/82/35/990808235.db2.gz	KAFWRBHKUFFGAF-CYBMUJFWSA-N	-1	0	294.311	0.265	20	30		CCEDRM
COc1ccnc(N2CCC(C#N)(C(=O)[O-])CC2)n1	ZINC001599721337	991544305	/nfs/dbraw/zinc/54/43/05/991544305.db2.gz	GVMHVGGFWNUVRB-UHFFFAOYSA-N	-1	0	262.269	0.680	20	30		CCEDRM
CN(CC(=O)[O-])C(=O)CCN1CCC[C@H](C#N)C1	ZINC001598404669	991713028	/nfs/dbraw/zinc/71/30/28/991713028.db2.gz	JUESVFMNZVYBNQ-SNVBAGLBSA-N	-1	0	253.302	0.155	20	30		CCEDRM
CC(C)C[C@H](C(=O)N(CC#N)CC(=O)[O-])n1ccnc1	ZINC001591118179	991781206	/nfs/dbraw/zinc/78/12/06/991781206.db2.gz	NHSHIWZYUGLXPJ-LLVKDONJSA-N	-1	0	278.312	0.907	20	30		CCEDRM
CC(C)C[C@H](NC(=O)COc1cccnc1C#N)C(=O)[O-]	ZINC001591174207	991969248	/nfs/dbraw/zinc/96/92/48/991969248.db2.gz	XFAROYAULDKXOH-JTQLQIEISA-N	-1	0	291.307	0.948	20	30		CCEDRM
CC(C)C[C@@H](NC(=O)Cn1cc(C#N)ccc1=O)C(=O)[O-]	ZINC001591178118	991973993	/nfs/dbraw/zinc/97/39/93/991973993.db2.gz	MYKBCGYZLJBWDE-LLVKDONJSA-N	-1	0	291.307	0.335	20	30		CCEDRM
CN(CCC#N)C[C@@H](O)CNc1ccc(CC(=O)[O-])cc1	ZINC001598468780	991991660	/nfs/dbraw/zinc/99/16/60/991991660.db2.gz	KBBPYIQJBDUHDG-AWEZNQCLSA-N	-1	0	291.351	0.932	20	30		CCEDRM
CN(CCc1cccc(C#N)c1)C(=O)[C@@H]([NH3+])CCC(=O)[O-]	ZINC001598500191	992424535	/nfs/dbraw/zinc/42/45/35/992424535.db2.gz	KGNLAYRSCLCOHH-ZDUSSCGKSA-N	-1	0	289.335	0.751	20	30		CCEDRM
CNC(=O)[C@H]1CCCN(c2ccc(C(=O)[O-])nc2C#N)C1	ZINC001598638604	994281161	/nfs/dbraw/zinc/28/11/61/994281161.db2.gz	CDLDVSJEVFCWRQ-VIFPVBQESA-N	-1	0	288.307	0.614	20	30		CCEDRM
CNC(=O)[C@H]1CCN(c2ccc(C(=O)[O-])nc2C#N)C1	ZINC001598639182	994289777	/nfs/dbraw/zinc/28/97/77/994289777.db2.gz	RMMJIBOVUXHYER-QMMMGPOBSA-N	-1	0	274.280	0.224	20	30		CCEDRM
CNC(=O)CC(=O)OCc1cccc(C(=O)[O-])c1C#N	ZINC001598639341	994292217	/nfs/dbraw/zinc/29/22/17/994292217.db2.gz	HQPCKZPYHVYHOB-UHFFFAOYSA-N	-1	0	276.248	0.436	20	30		CCEDRM
C[C@@](NCC(=O)NCC#N)(C(=O)[O-])c1ccc(F)cc1	ZINC001593230756	994366160	/nfs/dbraw/zinc/36/61/60/994366160.db2.gz	LEKIFGXPUZUPPZ-ZDUSSCGKSA-N	-1	0	279.271	0.355	20	30		CCEDRM
COC(=O)[C@H](CC(=O)[O-])NC(=O)C#Cc1cccs1	ZINC001598691078	995067128	/nfs/dbraw/zinc/06/71/28/995067128.db2.gz	FBIYMSBTXCAPFC-VIFPVBQESA-N	-1	0	281.289	0.232	20	30		CCEDRM
C[C@@]1(C#N)CCCN(C(=O)NC[C@H]2CCO[C@H]2C(=O)[O-])C1	ZINC001593740884	996358916	/nfs/dbraw/zinc/35/89/16/996358916.db2.gz	XBOQQAJOFPWAEV-GYSYKLTISA-N	-1	0	295.339	0.811	20	30		CCEDRM
COC(=O)/C=C(\C)Cn1cc(C(=O)[O-])cc(C#N)c1=O	ZINC001598830442	996430665	/nfs/dbraw/zinc/43/06/65/996430665.db2.gz	IRHODBWFHJXINO-FPYGCLRLSA-N	-1	0	276.248	0.537	20	30		CCEDRM
COC(=O)C[C@@H](NC(=O)C#Cc1cccs1)C(=O)[O-]	ZINC001598838908	996508815	/nfs/dbraw/zinc/50/88/15/996508815.db2.gz	SZYCOKSBNGBYLC-SECBINFHSA-N	-1	0	281.289	0.232	20	30		CCEDRM
COC(=O)CN(CC(=O)[O-])C(=O)c1ccc(C#N)cc1C	ZINC001598860742	996672382	/nfs/dbraw/zinc/67/23/82/996672382.db2.gz	JPXSIRHHSGKFIE-UHFFFAOYSA-N	-1	0	290.275	0.567	20	30		CCEDRM
COC[C@@H](NC(=O)c1cccc(C#N)c1C)C(=O)[O-]	ZINC001599173946	996805331	/nfs/dbraw/zinc/80/53/31/996805331.db2.gz	FZEYDMROEOZLQP-LLVKDONJSA-N	-1	0	262.265	0.696	20	30		CCEDRM
COC[C@@H](NC(=O)[C@@H]1C[C@H]1c1cccc(C#N)c1)C(=O)[O-]	ZINC001599173935	996805660	/nfs/dbraw/zinc/80/56/60/996805660.db2.gz	LPGYUAMJLFAJRG-YNEHKIRRSA-N	-1	0	288.303	0.878	20	30		CCEDRM
COC(=O)[C@@H](CCC(=O)[O-])NC(=O)C#Cc1ccccc1	ZINC001598891305	996998361	/nfs/dbraw/zinc/99/83/61/996998361.db2.gz	GVDPVYROLLLKEL-GFCCVEGCSA-N	-1	0	289.287	0.561	20	30		CCEDRM
COC[C@H](OC(=O)c1cc(C#N)[nH]c1C)C(=O)[O-]	ZINC001599185082	997011947	/nfs/dbraw/zinc/01/19/47/997011947.db2.gz	UVKYNBSBKWAOMR-VIFPVBQESA-N	-1	0	252.226	0.451	20	30		CCEDRM
COC[C@@]1(C(=O)[O-])CCCN1C(=O)c1c[nH]c(C#N)c1	ZINC001599189960	997104219	/nfs/dbraw/zinc/10/42/19/997104219.db2.gz	FBBYBBUYTCKNSZ-CYBMUJFWSA-N	-1	0	277.280	0.592	20	30		CCEDRM
CON=CC(=O)N[C@](C)(CC(=O)[O-])c1ccccn1	ZINC001599320006	997563909	/nfs/dbraw/zinc/56/39/09/997563909.db2.gz	KLNRCVPJULXWGR-GFCCVEGCSA-N	-1	0	265.269	0.520	20	30		CCEDRM
COCC[C@H](NC(=O)CNc1ccc(C#N)cc1)C(=O)[O-]	ZINC001599215167	997569803	/nfs/dbraw/zinc/56/98/03/997569803.db2.gz	QFNXOJHTGIECBI-LBPRGKRZSA-N	-1	0	291.307	0.576	20	30		CCEDRM
COCC[C@H](NC(=O)c1ccc(C=NOC)cc1)C(=O)[O-]	ZINC001599215883	997581971	/nfs/dbraw/zinc/58/19/71/997581971.db2.gz	CDLILXLDULEIGZ-LBPRGKRZSA-N	-1	0	294.307	0.886	20	30		CCEDRM
COCC[C@H](NC(=O)c1sccc1C#N)C(=O)[O-]	ZINC001599219401	997639056	/nfs/dbraw/zinc/63/90/56/997639056.db2.gz	YBZVIUOAQOISRG-QMMMGPOBSA-N	-1	0	268.294	0.839	20	30		CCEDRM
COc1ccc(C=O)cc1C(=O)N(CC#N)CCC(=O)[O-]	ZINC001599541975	997858786	/nfs/dbraw/zinc/85/87/86/997858786.db2.gz	BRTXHXHMCWJTSM-UHFFFAOYSA-N	-1	0	290.275	0.948	20	30		CCEDRM
COCC#CC(=O)NCc1ccc(C(=O)[O-])s1	ZINC001599139831	998109124	/nfs/dbraw/zinc/10/91/24/998109124.db2.gz	YVABMAQAAZSUFM-UHFFFAOYSA-N	-1	0	253.279	0.712	20	30		CCEDRM
COCC#CCN(C)[C@H](COC1CCC1)C(=O)[O-]	ZINC001599139897	998110781	/nfs/dbraw/zinc/11/07/81/998110781.db2.gz	ZSJHVAVKFGFSHV-GFCCVEGCSA-N	-1	0	255.314	0.590	20	30		CCEDRM
COC[C@](C)(CC(=O)[O-])NC(=O)c1ccc(C#N)o1	ZINC001599147072	998231913	/nfs/dbraw/zinc/23/19/13/998231913.db2.gz	CPBNCDQOGVSKDJ-LBPRGKRZSA-N	-1	0	266.253	0.761	20	30		CCEDRM
C[C@@H]1[C@@H](C(=O)[O-])CCN1C(=O)C(=O)N1CC[C@@](C)(C#N)C1	ZINC001594137190	998387581	/nfs/dbraw/zinc/38/75/81/998387581.db2.gz	CDLYHLMBOVONOO-BFVZDQMLSA-N	-1	0	293.323	0.070	20	30		CCEDRM
C[C@@H]1[C@@H](C(=O)[O-])CCN1C(=O)CNc1ccc(C#N)cn1	ZINC001594147700	998498895	/nfs/dbraw/zinc/49/88/95/998498895.db2.gz	UXVMMELBAOFZHJ-KOLCDFICSA-N	-1	0	288.307	0.687	20	30		CCEDRM
COC[C@@H](NC(=O)c1ccc(C)c(C#N)c1)C(=O)[O-]	ZINC001599172412	998625499	/nfs/dbraw/zinc/62/54/99/998625499.db2.gz	YKBMTGDYTRVUNE-LLVKDONJSA-N	-1	0	262.265	0.696	20	30		CCEDRM
C[C@@H]1[C@H](C(=O)[O-])CCN1S(=O)(=O)c1ccc(C#N)cn1	ZINC001594170122	998652974	/nfs/dbraw/zinc/65/29/74/998652974.db2.gz	BHUDGDGPOGHJOE-PSASIEDQSA-N	-1	0	295.320	0.437	20	30		CCEDRM
CC1CC(C#N)(C(=O)NC[C@@]2(C(=O)[O-])CCOC2)C1	ZINC001594200405	998773901	/nfs/dbraw/zinc/77/39/01/998773901.db2.gz	ICSKZDAWSOEUJD-YHECAPGISA-N	-1	0	266.297	0.534	20	30		CCEDRM
COC(=O)c1coc([C@H](C)N(CC#N)CCC(=O)[O-])n1	ZINC001599014828	998929626	/nfs/dbraw/zinc/92/96/26/998929626.db2.gz	VSVZFZMNEHABTF-QMMMGPOBSA-N	-1	0	281.268	0.822	20	30		CCEDRM
C[C@H]1C[C@@H](NC(=O)N2CCC(C#N)(C(=O)[O-])CC2)CO1	ZINC001594253141	998974193	/nfs/dbraw/zinc/97/41/93/998974193.db2.gz	MOXRTMPGOXATBK-VHSXEESVSA-N	-1	0	281.312	0.564	20	30		CCEDRM
CO[C@H](C(=O)N(CC#N)CCC(=O)[O-])C1CCC1	ZINC001599024474	999006716	/nfs/dbraw/zinc/00/67/16/999006716.db2.gz	IBVSORNDCQXQNM-NSHDSACASA-N	-1	0	254.286	0.628	20	30		CCEDRM
CO[C@@H](CN(CC#N)CCC(=O)[O-])[C@@H]1CCOC1	ZINC001599046259	999152615	/nfs/dbraw/zinc/15/26/15/999152615.db2.gz	CXSRPRLXOQJTMA-MNOVXSKESA-N	-1	0	256.302	0.338	20	30		CCEDRM
C[C@@H](CC#N)N(C)S(=O)(=O)N1CCC[C@@H](C(=O)[O-])C1	ZINC000220926551	260150499	/nfs/dbraw/zinc/15/04/99/260150499.db2.gz	JNHYDKQYFYYHCQ-VHSXEESVSA-N	-1	0	289.357	0.262	20	30		CCEDRM
N#Cc1ccc(CNC(=O)c2nc(=O)[nH][n-]2)c(F)c1	ZINC000105653645	349722742	/nfs/dbraw/zinc/72/27/42/349722742.db2.gz	IUFJBMLAQRXPOR-UHFFFAOYSA-N	-1	0	261.216	0.039	20	30		CCEDRM
Cc1cc(N2CCC(O)(C(=O)[O-])CC2)c(C#N)cn1	ZINC000600676442	362030811	/nfs/dbraw/zinc/03/08/11/362030811.db2.gz	WEOQYBDINXPWKF-UHFFFAOYSA-N	-1	0	261.281	0.678	20	30		CCEDRM
C[S@@](=O)C1(C(=O)[O-])CCN(c2ccc(C#N)nc2)CC1	ZINC000600678391	362032571	/nfs/dbraw/zinc/03/25/71/362032571.db2.gz	PLUCOTOLUSVACI-HXUWFJFHSA-N	-1	0	293.348	0.755	20	30		CCEDRM
C[C@H](C#N)CN(C)C(=O)C(=O)N1CC[C@@H](C(=O)[O-])[C@@H](C)C1	ZINC000600799777	362061572	/nfs/dbraw/zinc/06/15/72/362061572.db2.gz	YDURGIMDCYUUAH-OUAUKWLOSA-N	-1	0	295.339	0.174	20	30		CCEDRM
C[C@H](C(=O)N=c1[nH][n-]cc1C#N)N1[C@H](C)CC[C@H]1C	ZINC000601641063	362337287	/nfs/dbraw/zinc/33/72/87/362337287.db2.gz	NBVAIVGRHLRAGH-OPRDCNLKSA-N	-1	0	261.329	0.903	20	30		CCEDRM
C=CCOCCNC(=O)[C@@H](C)S[C@H](C)C(=O)[O-]	ZINC000601988856	362451557	/nfs/dbraw/zinc/45/15/57/362451557.db2.gz	ANCZXKDQENVAJL-RKDXNWHRSA-N	-1	0	261.343	0.900	20	30		CCEDRM
N#Cc1cn(CC(=O)N2CCCCCC2)c(=O)[n-]c1=O	ZINC000602031366	362464117	/nfs/dbraw/zinc/46/41/17/362464117.db2.gz	SYNPAQFMQYJQGX-UHFFFAOYSA-N	-1	0	276.296	0.223	20	30		CCEDRM
CC(C)[C@H](C)N(C)C(=O)CCn1cc(C#N)c(=O)[n-]c1=O	ZINC000602052576	362467970	/nfs/dbraw/zinc/46/79/70/362467970.db2.gz	JYFFCYAKSUFIIE-JTQLQIEISA-N	-1	0	292.339	0.714	20	30		CCEDRM
CC[C@H](C)CN(C)C(=O)Cn1cc(C#N)c(=O)[n-]c1=O	ZINC000602095251	362483453	/nfs/dbraw/zinc/48/34/53/362483453.db2.gz	ADUKQMYUFWNVIU-VIFPVBQESA-N	-1	0	278.312	0.325	20	30		CCEDRM
C[C@@H]1CCN(C(=O)Cn2cc(C#N)c(=O)[n-]c2=O)[C@H]1C	ZINC000602117451	362499402	/nfs/dbraw/zinc/49/94/02/362499402.db2.gz	QTRADHUMBPABOY-BDAKNGLRSA-N	-1	0	276.296	0.077	20	30		CCEDRM
C[C@@H]1CC[C@H](C)N1C(=O)CCn1cc(C#N)c(=O)[n-]c1=O	ZINC000602118435	362500265	/nfs/dbraw/zinc/50/02/65/362500265.db2.gz	MIVQOLQJJPSNHU-AOOOYVTPSA-N	-1	0	290.323	0.610	20	30		CCEDRM
CC[C@@H]1CC[C@@H](C)N1C(=O)Cn1cc(C#N)c(=O)[n-]c1=O	ZINC000602132598	362511213	/nfs/dbraw/zinc/51/12/13/362511213.db2.gz	YDRNUZNKMORXKD-MWLCHTKSSA-N	-1	0	290.323	0.610	20	30		CCEDRM
N#Cc1cn(CCC(=O)N(C2CC2)C2CC2)c(=O)[n-]c1=O	ZINC000602189623	362549036	/nfs/dbraw/zinc/54/90/36/362549036.db2.gz	JCQXFVIRHRJNPR-UHFFFAOYSA-N	-1	0	288.307	0.364	20	30		CCEDRM
N#Cc1cccc2c1CCN2C(=O)CCCc1nnn[n-]1	ZINC000602166796	362538410	/nfs/dbraw/zinc/53/84/10/362538410.db2.gz	JVZBQXMXOIXNSC-UHFFFAOYSA-N	-1	0	282.307	0.983	20	30		CCEDRM
Cn1ccc([N-]S(=O)(=O)c2ccc(C#N)o2)n1	ZINC000259934199	137006074	/nfs/dbraw/zinc/00/60/74/137006074.db2.gz	BJCOVAWMZQAWPB-UHFFFAOYSA-N	-1	0	252.255	0.686	20	30		CCEDRM
N#Cc1ccc(OCC(=O)N2CC[C@](F)(C(=O)[O-])C2)cc1	ZINC000262880554	137055133	/nfs/dbraw/zinc/05/51/33/137055133.db2.gz	YYQAYUPOAKKDMM-CQSZACIVSA-N	-1	0	292.266	0.962	20	30		CCEDRM
C[C@H]1C[C@@H](C(=O)[O-])CN(S(=O)(=O)c2ccc(C#N)o2)C1	ZINC000263282148	137062592	/nfs/dbraw/zinc/06/25/92/137062592.db2.gz	XLEGQIAKPVNSTB-DTWKUNHWSA-N	-1	0	298.320	0.883	20	30		CCEDRM
N#Cc1ccc(S(=O)(=O)[N-]c2nncs2)o1	ZINC000342465970	137095377	/nfs/dbraw/zinc/09/53/77/137095377.db2.gz	OSNUCEGDLURQSZ-UHFFFAOYSA-N	-1	0	256.268	0.804	20	30		CCEDRM
Cn1cc(C#N)c(=NC(=O)N2CCO[C@H](C(F)F)CC2)[n-]1	ZINC000602881968	362861282	/nfs/dbraw/zinc/86/12/82/362861282.db2.gz	MTBCJWFZEMVJGO-VIFPVBQESA-N	-1	0	299.281	0.602	20	30		CCEDRM
Cn1cc(C#N)c(=NC(=O)NCCO[C@H]2CC2(F)F)[n-]1	ZINC000602884410	362862512	/nfs/dbraw/zinc/86/25/12/362862512.db2.gz	BNUOCVYDPGOKCM-QMMMGPOBSA-N	-1	0	285.254	0.259	20	30		CCEDRM
Cn1cc(C#N)c(=NC(=O)N2CCC[C@H](CCO)CC2)[n-]1	ZINC000602886688	362866450	/nfs/dbraw/zinc/86/64/50/362866450.db2.gz	MKGGPAFLHQHAMI-NSHDSACASA-N	-1	0	291.355	0.730	20	30		CCEDRM
N#Cc1ccc(C(=O)NC2(c3nnn[n-]3)CCCC2)cn1	ZINC000346320260	137278903	/nfs/dbraw/zinc/27/89/03/137278903.db2.gz	FXBJWYGIRTULOQ-UHFFFAOYSA-N	-1	0	283.295	0.666	20	30		CCEDRM
COC(=O)NCC(=O)[N-]S(=O)(=O)c1cccnc1	ZINC000048533260	348413342	/nfs/dbraw/zinc/41/33/42/348413342.db2.gz	BKSINEZFIMVUIO-UHFFFAOYSA-N	-1	0	273.270	0.083	20	30		CCEDRM
COc1ccc(S(=O)(=O)NC[C@@H](C)C#N)cc1C(=O)[O-]	ZINC000054156603	348543637	/nfs/dbraw/zinc/54/36/37/348543637.db2.gz	RWGKUDQWPAVDNC-QMMMGPOBSA-N	-1	0	298.320	0.831	20	30		CCEDRM
C[C@H](C#N)CNS(=O)(=O)c1cc(C(=O)[O-])n(C)c1	ZINC000054156488	348544006	/nfs/dbraw/zinc/54/40/06/348544006.db2.gz	RWHNZRMVMCVBPQ-SSDOTTSWSA-N	-1	0	271.298	0.161	20	30		CCEDRM
COc1ccc(C(=O)[O-])cc1S(=O)(=O)NC[C@H](C)C#N	ZINC000054156554	348544259	/nfs/dbraw/zinc/54/42/59/348544259.db2.gz	XXPFPVOROSNHMU-MRVPVSSYSA-N	-1	0	298.320	0.831	20	30		CCEDRM
N#Cc1cc(S(=O)(=O)N[C@@H](C(=O)[O-])C2CC2)ccc1F	ZINC000071238914	348905681	/nfs/dbraw/zinc/90/56/81/348905681.db2.gz	HKMDXKLJHYWVPB-LLVKDONJSA-N	-1	0	298.295	0.839	20	30		CCEDRM
C[C@](O)(CNC(=O)Nc1ccc(F)c(C#N)c1)C(=O)[O-]	ZINC000090278742	349431246	/nfs/dbraw/zinc/43/12/46/349431246.db2.gz	HRJRLRZRZNNGGI-LBPRGKRZSA-N	-1	0	281.243	0.654	20	30		CCEDRM
N#Cc1c[nH]c(C(=O)N2CCC(c3n[nH]c(=O)[n-]3)CC2)c1	ZINC000538831509	290889735	/nfs/dbraw/zinc/88/97/35/290889735.db2.gz	GEGGBXVTQWWNIN-UHFFFAOYSA-N	-1	0	286.295	0.730	20	30		CCEDRM
Cc1cc(C#N)ccc1S(=O)(=O)[N-]c1nnn(C)n1	ZINC000235734981	352187878	/nfs/dbraw/zinc/18/78/78/352187878.db2.gz	DYNVNZIYLCJFHP-UHFFFAOYSA-N	-1	0	278.297	0.191	20	30		CCEDRM
N#Cc1ccc(S(=O)(=O)N2CSC[C@@H]2C(=O)[O-])cc1	ZINC000019986501	303198379	/nfs/dbraw/zinc/19/83/79/303198379.db2.gz	MINSYCVHUYNBQM-SNVBAGLBSA-N	-1	0	298.345	0.706	20	30		CCEDRM
N#Cc1nc(NC(=O)[C@H]2C[C@@]23CCOC3)[n-]c1C#N	ZINC000368128951	303216747	/nfs/dbraw/zinc/21/67/47/303216747.db2.gz	LNGPOILKELZPGN-JMCQJSRRSA-N	-1	0	257.253	0.518	20	30		CCEDRM
CCC[C@@H](NC(=O)[O-])C(=O)Nc1cnn(CC#N)c1	ZINC000739325394	581109853	/nfs/dbraw/zinc/10/98/53/581109853.db2.gz	JLDZGXFPVPDWTP-SECBINFHSA-N	-1	0	265.273	0.781	20	30		CCEDRM
Cc1nnc(SCc2nc(=O)[n-][nH]2)c(C#N)c1C	ZINC000272686012	353085374	/nfs/dbraw/zinc/08/53/74/353085374.db2.gz	BPHWVUMZQHHGPS-UHFFFAOYSA-N	-1	0	262.298	0.669	20	30		CCEDRM
CC#CC[C@H](NS(=O)(=O)c1ccco1)C(=O)[O-]	ZINC000277344013	353238129	/nfs/dbraw/zinc/23/81/29/353238129.db2.gz	WQFAITSZIUANBW-QMMMGPOBSA-N	-1	0	257.267	0.425	20	30		CCEDRM
Cn1nccc1S(=O)(=O)[N-]c1n[nH]c(C2CC2)c1C#N	ZINC000277104248	353223455	/nfs/dbraw/zinc/22/34/55/353223455.db2.gz	VWLNLFJFQJVLHU-UHFFFAOYSA-N	-1	0	292.324	0.693	20	30		CCEDRM
CC[C@@](C)(CNS(=O)(=O)c1ccc(C#N)o1)C(=O)[O-]	ZINC000287639857	353659499	/nfs/dbraw/zinc/65/94/99/353659499.db2.gz	UKQOVHMYUYXBTL-NSHDSACASA-N	-1	0	286.309	0.930	20	30		CCEDRM
CCOC(=O)[C@@H](NC(=O)Nc1ccc(C#N)cc1)C(=O)[O-]	ZINC000618939606	366128949	/nfs/dbraw/zinc/12/89/49/366128949.db2.gz	AYVGYXVSZUBUMM-JTQLQIEISA-N	-1	0	291.263	0.696	20	30		CCEDRM
COC[C@@H](NC(=O)N=c1[n-]n(C)cc1C#N)[C@H]1CCCO1	ZINC000618994219	366140253	/nfs/dbraw/zinc/14/02/53/366140253.db2.gz	MPUXCTCAUFBASH-GHMZBOCLSA-N	-1	0	293.327	0.029	20	30		CCEDRM
CCn1cn[n-]c1=NC(=O)c1ncc(C#N)cc1C	ZINC000556862269	291014993	/nfs/dbraw/zinc/01/49/93/291014993.db2.gz	LNARHWDRXOOYML-UHFFFAOYSA-N	-1	0	256.269	0.547	20	30		CCEDRM
N#Cc1cncc(S(=O)(=O)[N-]c2cncnc2)c1	ZINC000336790183	355163044	/nfs/dbraw/zinc/16/30/44/355163044.db2.gz	KWYSTZVBJKIANQ-UHFFFAOYSA-N	-1	0	261.266	0.544	20	30		CCEDRM
C[C@@H]1CCN(S(=O)(=O)c2ccc(C#N)o2)[C@@H]1C(=O)[O-]	ZINC000558474077	291057382	/nfs/dbraw/zinc/05/73/82/291057382.db2.gz	JTCWSTJAXOFBRD-XCBNKYQSSA-N	-1	0	284.293	0.635	20	30		CCEDRM
C[C@H](C(=O)N=c1cc(C(F)(F)F)[n-][nH]1)n1cnc(C#N)n1	ZINC000336972492	355236521	/nfs/dbraw/zinc/23/65/21/355236521.db2.gz	QQKIVSYXWAPVFG-RXMQYKEDSA-N	-1	0	299.216	0.513	20	30		CCEDRM
CN(CC(=O)[O-])S(=O)(=O)c1cccc(Cl)c1C#N	ZINC000340177415	355516252	/nfs/dbraw/zinc/51/62/52/355516252.db2.gz	OMMMHCVENHVRIC-UHFFFAOYSA-N	-1	0	288.712	0.917	20	30		CCEDRM
N#Cc1ccc(C(=O)N=c2[n-]ncn2-c2cccnc2)[nH]1	ZINC000360600115	138002636	/nfs/dbraw/zinc/00/26/36/138002636.db2.gz	STUYKEHVXSILBX-UHFFFAOYSA-N	-1	0	279.263	0.536	20	30		CCEDRM
Cc1ccc(C#N)cc1NC(=O)c1n[nH]c(=O)[n-]c1=O	ZINC000619438500	366252682	/nfs/dbraw/zinc/25/26/82/366252682.db2.gz	YVMKZHOBRKTLRO-UHFFFAOYSA-N	-1	0	271.236	0.715	20	30		CCEDRM
CN(CC(=O)[O-])S(=O)(=O)c1cccc(CC#N)c1	ZINC000619470886	366264667	/nfs/dbraw/zinc/26/46/67/366264667.db2.gz	JZOUBXIGFGIXDU-UHFFFAOYSA-N	-1	0	268.294	0.458	20	30		CCEDRM
CCc1ccnc(CNC(=O)N=c2[n-]n(C)cc2C#N)c1	ZINC000619556396	366280803	/nfs/dbraw/zinc/28/08/03/366280803.db2.gz	YUTFAPQOCUPCDI-UHFFFAOYSA-N	-1	0	284.323	0.993	20	30		CCEDRM
CO[C@H]1CCCC[C@@H]1NC(=O)N=c1[n-]n(C)cc1C#N	ZINC000619662414	366315849	/nfs/dbraw/zinc/31/58/49/366315849.db2.gz	WBVHREPVIGHBMI-QWRGUYRKSA-N	-1	0	277.328	0.793	20	30		CCEDRM
C=C[C@@H](Sc1n[n-]c(=NCCOC)s1)C(=O)OC	ZINC000619686986	366321189	/nfs/dbraw/zinc/32/11/89/366321189.db2.gz	FZSINNLKLZMHED-SSDOTTSWSA-N	-1	0	289.382	0.838	20	30		CCEDRM
CCn1cn[n-]c1=NC(=O)c1cccc(F)c1C#N	ZINC000356075963	356698223	/nfs/dbraw/zinc/69/82/23/356698223.db2.gz	ZYNLPCUJRKRVLR-UHFFFAOYSA-N	-1	0	259.244	0.983	20	30		CCEDRM
CCSCCCNC(=O)N=c1[n-]n(C)cc1C#N	ZINC000619727564	366343859	/nfs/dbraw/zinc/34/38/59/366343859.db2.gz	HZKFTCRPAWSFSF-UHFFFAOYSA-N	-1	0	267.358	0.978	20	30		CCEDRM
C[C@H]1[C@H](C(=O)Nc2nc(C#N)c(C#N)[n-]2)C1(F)F	ZINC000359826329	356904145	/nfs/dbraw/zinc/90/41/45/356904145.db2.gz	JRLRYVFGBJWDAN-MHTLYPKNSA-N	-1	0	251.196	0.993	20	30		CCEDRM
C[C@H](O)C[C@H](C)CNC(=O)N=c1[n-]n(C)cc1C#N	ZINC000610562326	363575991	/nfs/dbraw/zinc/57/59/91/363575991.db2.gz	OTMZISGIYHRRLH-IUCAKERBSA-N	-1	0	265.317	0.242	20	30		CCEDRM
Cc1nn(C)c(C)c1CNC(=O)N=c1[n-]n(C)cc1C#N	ZINC000610564118	363578647	/nfs/dbraw/zinc/57/86/47/363578647.db2.gz	LUGNIYCZLORVKP-UHFFFAOYSA-N	-1	0	287.327	0.386	20	30		CCEDRM
C=CCOC[C@H](NC(=O)NCc1ccnc(C)n1)C(=O)[O-]	ZINC000684726978	545728852	/nfs/dbraw/zinc/72/88/52/545728852.db2.gz	TUMNYLSSWRCCGN-NSHDSACASA-N	-1	0	294.311	0.240	20	30		CCEDRM
CC#CCS(=O)(=O)[N-]C(=O)/C=C\c1ccc(C)nc1	ZINC000493003535	358304762	/nfs/dbraw/zinc/30/47/62/358304762.db2.gz	ICKRAARCOKTEQJ-FPLPWBNLSA-N	-1	0	278.333	0.873	20	30		CCEDRM
N#CCCn1ccc(=NC(=O)NCCCC(=O)[O-])[nH]1	ZINC000563145929	358556705	/nfs/dbraw/zinc/55/67/05/358556705.db2.gz	GROFBXIDNHVYNA-UHFFFAOYSA-N	-1	0	265.273	0.205	20	30		CCEDRM
CCN(C[C@@H](C)C#N)S(=O)(=O)NCC1(C(=O)[O-])CC1	ZINC000563227098	358557096	/nfs/dbraw/zinc/55/70/96/358557096.db2.gz	VUWAHASABURGAG-VIFPVBQESA-N	-1	0	289.357	0.167	20	30		CCEDRM
Cc1noc(C[N-]S(=O)(=O)c2ccc(C#N)cc2F)n1	ZINC000562501796	291156165	/nfs/dbraw/zinc/15/61/65/291156165.db2.gz	GFMULMHWBKJAGW-UHFFFAOYSA-N	-1	0	296.283	0.867	20	30		CCEDRM
C=C[C@@H]1OCC[C@H]1CNC(=O)NC[C@H](C)C(=O)[O-]	ZINC000655880671	412675669	/nfs/dbraw/zinc/67/56/69/412675669.db2.gz	XCRCLEQDLRXCIR-GUBZILKMSA-N	-1	0	256.302	0.597	20	30		CCEDRM
C=CCCCS(=O)(=O)N[C@@H](C(=O)[O-])c1ccnn1C	ZINC000573110868	358939638	/nfs/dbraw/zinc/93/96/38/358939638.db2.gz	HPEMHCCMDINSER-SNVBAGLBSA-N	-1	0	287.341	0.431	20	30		CCEDRM
C=CCC[C@H](NC(=O)COC[C@H]1CCCO1)C(=O)[O-]	ZINC000573671918	358987859	/nfs/dbraw/zinc/98/78/59/358987859.db2.gz	PTCWCFONHISRDC-MNOVXSKESA-N	-1	0	271.313	0.718	20	30		CCEDRM
C=CCCS(=O)(=O)N1CC[C@@H](C)[C@H](C(=O)[O-])C1	ZINC000573967382	359016630	/nfs/dbraw/zinc/01/66/30/359016630.db2.gz	VVYAFKSDAPSCME-NXEZZACHSA-N	-1	0	261.343	0.935	20	30		CCEDRM
N#CCn1c(C(=O)NCc2n[n-]c(=N)o2)cc2ccccc21	ZINC000586808938	359293554	/nfs/dbraw/zinc/29/35/54/359293554.db2.gz	YGZQIKFYWBOGGY-UHFFFAOYSA-N	-1	0	296.290	0.890	20	30		CCEDRM
CN(Cc1n[n-]c(=O)o1)C(=O)c1cccc(C#N)c1	ZINC000588849415	359341156	/nfs/dbraw/zinc/34/11/56/359341156.db2.gz	MYTUPHMBDKEQMF-UHFFFAOYSA-N	-1	0	258.237	0.919	20	30		CCEDRM
C[C@H](NC(=O)c1cccs1)C(=O)N=c1[nH][n-]cc1C#N	ZINC000589820457	359402866	/nfs/dbraw/zinc/40/28/66/359402866.db2.gz	QDCUPEPNEZSVOP-ZETCQYMHSA-N	-1	0	289.320	0.522	20	30		CCEDRM
N#Cc1c(N2CCO[C@@H](C(=O)[O-])C2)nc2ccccn21	ZINC000591325366	359577885	/nfs/dbraw/zinc/57/78/85/359577885.db2.gz	IOCJGANWCGNMKN-SNVBAGLBSA-N	-1	0	272.264	0.496	20	30		CCEDRM
CO[C@@H](C)c1nc(Cn2c(=O)[n-]cc(C#N)c2=O)cs1	ZINC000592354428	359823839	/nfs/dbraw/zinc/82/38/39/359823839.db2.gz	ZLTHDFZIOVDVKS-ZETCQYMHSA-N	-1	0	292.320	0.620	20	30		CCEDRM
C[C@@H]1CCC[C@](C#N)(NC(=O)c2n[nH]c(=O)[n-]c2=O)C1	ZINC000611219924	363685458	/nfs/dbraw/zinc/68/54/58/363685458.db2.gz	UYUTUZGKXCHVOR-KRTXAFLBSA-N	-1	0	277.284	0.485	20	30		CCEDRM
CN(Cc1cccc(C#N)c1)C(=O)c1n[nH]c(=O)[n-]c1=O	ZINC000611219006	363685517	/nfs/dbraw/zinc/68/55/17/363685517.db2.gz	RPGAAKYCOYZQRL-UHFFFAOYSA-N	-1	0	285.263	0.427	20	30		CCEDRM
CC[C@@H]1CC[C@@H](C(=O)N=c2[n-]n(C)c(C)c2C#N)O1	ZINC000592655075	359910705	/nfs/dbraw/zinc/91/07/05/359910705.db2.gz	VLFLMJDVFCVOMO-KOLCDFICSA-N	-1	0	262.313	0.918	20	30		CCEDRM
N#CC1(CS(=O)(=O)N(CC(=O)[O-])CC2CC2)CCC1	ZINC000593222708	360052724	/nfs/dbraw/zinc/05/27/24/360052724.db2.gz	RVGKXKBKHQERFZ-UHFFFAOYSA-N	-1	0	286.353	0.807	20	30		CCEDRM
CC(C)n1cnc([N-]S(=O)(=O)c2cncc(C#N)c2)n1	ZINC000593283580	360060938	/nfs/dbraw/zinc/06/09/38/360060938.db2.gz	IZAOYOOYFQMXRZ-UHFFFAOYSA-N	-1	0	292.324	0.926	20	30		CCEDRM
CN(C[C@H](O)C(F)(F)F)C(=O)N=c1[n-]n(C)cc1C#N	ZINC000611388905	363712336	/nfs/dbraw/zinc/71/23/36/363712336.db2.gz	ROFCXMCXKWVIRX-ZETCQYMHSA-N	-1	0	291.233	0.101	20	30		CCEDRM
CC(C)[C@@H](CNC(=O)NCC1(C#N)CC1)C(=O)[O-]	ZINC000594527263	360326601	/nfs/dbraw/zinc/32/66/01/360326601.db2.gz	BZCXQJPYHWIVDV-SECBINFHSA-N	-1	0	253.302	0.946	20	30		CCEDRM
CC(C)[C@H](CNC(=O)N1CC[C@](F)(C#N)C1)C(=O)[O-]	ZINC000594538822	360327504	/nfs/dbraw/zinc/32/75/04/360327504.db2.gz	UZKFSUQPZNDWMB-CABZTGNLSA-N	-1	0	271.292	0.990	20	30		CCEDRM
CC[C@H](CC#N)[N-]S(=O)(=O)c1ncccc1[N+](=O)[O-]	ZINC000594768101	360379601	/nfs/dbraw/zinc/37/96/01/360379601.db2.gz	JFDZAGNBTVNRBK-MRVPVSSYSA-N	-1	0	284.297	0.960	20	30		CCEDRM
CSCCN(CC(=O)[O-])S(=O)(=O)CC1(C#N)CC1	ZINC000594671159	360358831	/nfs/dbraw/zinc/35/88/31/360358831.db2.gz	UIFRPYCEVAHXEM-UHFFFAOYSA-N	-1	0	292.382	0.370	20	30		CCEDRM
N#Cc1ccc(CCN2CCN(C(=O)C(=O)[O-])CC2)cc1	ZINC000595876456	360688311	/nfs/dbraw/zinc/68/83/11/360688311.db2.gz	CIZGKEJHVQJJIF-UHFFFAOYSA-N	-1	0	287.319	0.330	20	30		CCEDRM
COC(=O)c1ccc(NC[C@H](C)C(=O)[O-])c(C#N)n1	ZINC000595968661	360742880	/nfs/dbraw/zinc/74/28/80/360742880.db2.gz	KFMFEQPTNQVNDF-ZETCQYMHSA-N	-1	0	263.253	0.872	20	30		CCEDRM
Cc1cc(N[C@@H]2C[C@@H](C(=O)[O-])C[C@@H]2O)cc(C#N)n1	ZINC000595979832	360754663	/nfs/dbraw/zinc/75/46/63/360754663.db2.gz	VCRARLCLCFMPRJ-FXAINCCUSA-N	-1	0	261.281	0.320	20	30		CCEDRM
CC(C)(C(=O)[O-])n1cc(Nc2ncncc2C#N)cn1	ZINC000595978453	360754914	/nfs/dbraw/zinc/75/49/14/360754914.db2.gz	MTTKQHYJTCDZRC-UHFFFAOYSA-N	-1	0	272.268	0.530	20	30		CCEDRM
N#Cc1cc(N2C[C@@H]3COC[C@]3(C(=O)[O-])C2)ccn1	ZINC000595967090	360741542	/nfs/dbraw/zinc/74/15/42/360741542.db2.gz	DCNNJNLUVGVNSP-NOZJJQNGSA-N	-1	0	259.265	0.491	20	30		CCEDRM
N#Cc1ccc(S(=O)(=O)N2CC3(CCC3)[C@H]2C(=O)[O-])o1	ZINC000596035790	360780306	/nfs/dbraw/zinc/78/03/06/360780306.db2.gz	WOYVXKNKRFOERX-SNVBAGLBSA-N	-1	0	296.304	0.779	20	30		CCEDRM
C[C@@H]1[C@H]2C[C@]1(C(=O)[O-])N(S(=O)(=O)CC1(CC#N)CC1)C2	ZINC000596036673	360780339	/nfs/dbraw/zinc/78/03/39/360780339.db2.gz	ANPSLNXVNXLGBT-NRUUGDAUSA-N	-1	0	298.364	0.805	20	30		CCEDRM
CCC[C@H](C#N)NC(=O)c1cc(S(N)(=O)=O)ccc1[O-]	ZINC000597040177	360999784	/nfs/dbraw/zinc/99/97/84/360999784.db2.gz	SOBGCCLEAXYMKG-MRVPVSSYSA-N	-1	0	297.336	0.462	20	30		CCEDRM
C[C@@H](CC#N)C(=O)N1CCC(c2n[nH]c(=O)[n-]2)CC1	ZINC000597598924	361155486	/nfs/dbraw/zinc/15/54/86/361155486.db2.gz	AULZSTOVOPBKDF-QMMMGPOBSA-N	-1	0	263.301	0.766	20	30		CCEDRM
CCc1nnc(NCc2n[nH]c(=O)[n-]2)c(C#N)c1CC	ZINC000301623429	201101012	/nfs/dbraw/zinc/10/10/12/201101012.db2.gz	FLEMTAZLFSDHBT-UHFFFAOYSA-N	-1	0	273.300	0.497	20	30		CCEDRM
N#Cc1ccccc1CN1CCS(=O)(=O)C[C@@H]1C(=O)[O-]	ZINC000598680065	361479902	/nfs/dbraw/zinc/47/99/02/361479902.db2.gz	SBDSOYHSIYITQN-GFCCVEGCSA-N	-1	0	294.332	0.242	20	30		CCEDRM
CCOCCn1cc(C(=O)N=c2[nH][n-]c(C)c2C#N)cn1	ZINC000598701125	361490053	/nfs/dbraw/zinc/49/00/53/361490053.db2.gz	QRZSVYZQMBPILX-UHFFFAOYSA-N	-1	0	288.311	0.497	20	30		CCEDRM
CN1CCOc2ccc(C(=O)N=c3[nH][n-]cc3C#N)cc21	ZINC000598911758	361530834	/nfs/dbraw/zinc/53/08/34/361530834.db2.gz	PBQKYTJLAGBUID-UHFFFAOYSA-N	-1	0	283.291	0.784	20	30		CCEDRM
C[C@H](CC#N)NC(=O)c1ccc([N-]S(C)(=O)=O)nc1	ZINC000599221024	361614564	/nfs/dbraw/zinc/61/45/64/361614564.db2.gz	JYHMBSDEOCABHS-MRVPVSSYSA-N	-1	0	282.325	0.485	20	30		CCEDRM
Cc1nnc([C@H](C)NC(=O)N=c2[n-]n(C)cc2C#N)s1	ZINC000612752047	364008116	/nfs/dbraw/zinc/00/81/16/364008116.db2.gz	OPHPLUAVDJCBOA-LURJTMIESA-N	-1	0	291.340	0.756	20	30		CCEDRM
CN(C)c1n[nH]c([N-]S(=O)(=O)c2ccc(C#N)o2)n1	ZINC000342676364	216467352	/nfs/dbraw/zinc/46/73/52/216467352.db2.gz	YAPOVIXCDRIVOM-UHFFFAOYSA-N	-1	0	282.285	0.136	20	30		CCEDRM
N#CCCCS(=O)(=O)N1CCC[C@H]1CC(=O)[O-]	ZINC000614382554	364589338	/nfs/dbraw/zinc/58/93/38/364589338.db2.gz	TUJZFBZXRNPXQB-VIFPVBQESA-N	-1	0	260.315	0.559	20	30		CCEDRM
N#Cc1ccc(C2(C(=O)NCc3nnn[n-]3)CC2)cc1	ZINC000614832081	364738527	/nfs/dbraw/zinc/73/85/27/364738527.db2.gz	RUQOJIQYLMKPGW-UHFFFAOYSA-N	-1	0	268.280	0.419	20	30		CCEDRM
C=C(C)CCNC(=O)c1cc(S(N)(=O)=O)ccc1[O-]	ZINC000615826866	365099674	/nfs/dbraw/zinc/09/96/74/365099674.db2.gz	QSAHGOYEYMBGPY-UHFFFAOYSA-N	-1	0	284.337	0.736	20	30		CCEDRM
N#Cc1c(F)cccc1S([O-])=CC(=O)N1CCOCC1	ZINC000565231995	291364100	/nfs/dbraw/zinc/36/41/00/291364100.db2.gz	PBJDGJHUXYSYOI-HXUWFJFHSA-N	-1	0	296.323	0.664	20	30		CCEDRM
C[C@@H](NC(=O)[C@H](C)Oc1ccccc1C#N)C(=O)[O-]	ZINC000037434455	296099662	/nfs/dbraw/zinc/09/96/62/296099662.db2.gz	PZIGDGNVGOTRII-BDAKNGLRSA-N	-1	0	262.265	0.915	20	30		CCEDRM
C=CCCS(=O)(=O)N1C[C@@H](OC)C[C@@]1(C)C(=O)[O-]	ZINC000629307216	369627043	/nfs/dbraw/zinc/62/70/43/369627043.db2.gz	BZBYXUVFBXHLOU-ONGXEEELSA-N	-1	0	277.342	0.456	20	30		CCEDRM
C=C(C)CN(CC)C(=O)C(=O)N1CC[C@@H](C(=O)[O-])[C@@H](C)C1	ZINC000629773677	369772724	/nfs/dbraw/zinc/77/27/24/369772724.db2.gz	QPBXBQCFBFQYKR-NWDGAFQWSA-N	-1	0	296.367	0.980	20	30		CCEDRM
CC#CCN(C)C(=O)C(=O)N1CC[C@H](C(=O)[O-])[C@@H](C)C1	ZINC000629781665	369774097	/nfs/dbraw/zinc/77/40/97/369774097.db2.gz	QTSDPBUQSWOHGZ-QWRGUYRKSA-N	-1	0	280.324	0.037	20	30		CCEDRM
C=CCOC[C@H](NC(=O)c1ocnc1C(F)F)C(=O)[O-]	ZINC000630187559	369997117	/nfs/dbraw/zinc/99/71/17/369997117.db2.gz	QOPPIIYDSPEOGO-LURJTMIESA-N	-1	0	290.222	0.998	20	30		CCEDRM
C=CCOCCNC(=O)[C@H]1C[C@@H](C)[C@H](C(=O)[O-])O1	ZINC000630210605	370009807	/nfs/dbraw/zinc/00/98/07/370009807.db2.gz	DASVABDORKXSTI-OPRDCNLKSA-N	-1	0	257.286	0.183	20	30		CCEDRM
C=CCOC[C@@H](NC(=O)Cc1c(C)nn(C)c1C)C(=O)[O-]	ZINC000630185481	369995166	/nfs/dbraw/zinc/99/51/66/369995166.db2.gz	CADMFNQUIXOIHV-GFCCVEGCSA-N	-1	0	295.339	0.351	20	30		CCEDRM
C=CCCS(=O)(=O)NC[C@@]1(C(=O)[O-])CCCOC1	ZINC000630433845	370113592	/nfs/dbraw/zinc/11/35/92/370113592.db2.gz	YTMDIMRWIGJVAV-NSHDSACASA-N	-1	0	277.342	0.363	20	30		CCEDRM
C=C(C)C[C@H](NS(=O)(=O)N(C)[C@@H](C)C1CC1)C(=O)[O-]	ZINC000630437876	370115899	/nfs/dbraw/zinc/11/58/99/370115899.db2.gz	HUROHKRIBPGBIU-ONGXEEELSA-N	-1	0	290.385	0.971	20	30		CCEDRM
C=C(C)C[C@H](NS(=O)(=O)N(CC)CC1CC1)C(=O)[O-]	ZINC000630437296	370116066	/nfs/dbraw/zinc/11/60/66/370116066.db2.gz	BOYGMBSWFXJARI-NSHDSACASA-N	-1	0	290.385	0.972	20	30		CCEDRM
C=C(C)C[C@@H](NS(=O)(=O)N(C)CCC)C(=O)[O-]	ZINC000630438632	370117342	/nfs/dbraw/zinc/11/73/42/370117342.db2.gz	UQXVRHVHIPOKSE-SECBINFHSA-N	-1	0	264.347	0.582	20	30		CCEDRM
C=C(C)C[C@H](NS(=O)(=O)[C@H]1CCO[C@@H](C)C1)C(=O)[O-]	ZINC000630438451	370117351	/nfs/dbraw/zinc/11/73/51/370117351.db2.gz	QITRNXMWAZDDEU-DCAQKATOSA-N	-1	0	291.369	0.893	20	30		CCEDRM
C=C(C)C[C@@H](NS(=O)(=O)CCCF)C(=O)[O-]	ZINC000630438333	370117451	/nfs/dbraw/zinc/11/74/51/370117451.db2.gz	OLMAOJIYYMFTLN-MRVPVSSYSA-N	-1	0	253.295	0.685	20	30		CCEDRM
COc1cncc(S(=O)(=O)[N-]c2c(C#N)cnn2C)c1	ZINC000337273359	213975595	/nfs/dbraw/zinc/97/55/95/213975595.db2.gz	CPHLFMLVUUSSRY-UHFFFAOYSA-N	-1	0	293.308	0.496	20	30		CCEDRM
C=CCCn1cc(CN2C[C@H](OC)C[C@@]2(C)C(=O)[O-])nn1	ZINC000634695198	372141075	/nfs/dbraw/zinc/14/10/75/372141075.db2.gz	QJAWWEQMGPBPPE-OCCSQVGLSA-N	-1	0	294.355	0.918	20	30		CCEDRM
C=C(C)C[C@@H](NS(=O)(=O)C[C@@H](C)COC)C(=O)[O-]	ZINC000634654773	372127400	/nfs/dbraw/zinc/12/74/00/372127400.db2.gz	UBTXLJOPTGJLRV-VHSXEESVSA-N	-1	0	279.358	0.608	20	30		CCEDRM
N#Cc1nc(NC(=O)COC[C@H]2CCCO2)[n-]c1C#N	ZINC000049493303	284508331	/nfs/dbraw/zinc/50/83/31/284508331.db2.gz	YDTAHQMMRVLFTF-MRVPVSSYSA-N	-1	0	275.268	0.287	20	30		CCEDRM
C=CCN1CC[C@@H](N2CCC(c3n[n-]c(=N)o3)CC2)C1=O	ZINC000639724190	375954140	/nfs/dbraw/zinc/95/41/40/375954140.db2.gz	KAXSOFQMUILKSC-LLVKDONJSA-N	-1	0	291.355	0.448	20	30		CCEDRM
C=C(C)CS(=O)(=O)N[C@@](C)(CCF)C(=O)[O-]	ZINC000656722709	412847289	/nfs/dbraw/zinc/84/72/89/412847289.db2.gz	AUYMPPZGXPKORX-VIFPVBQESA-N	-1	0	253.295	0.685	20	30		CCEDRM
COCCNC(=O)C(C#N)=C([O-])c1cnc(C)nc1C	ZINC000777302839	581112304	/nfs/dbraw/zinc/11/23/04/581112304.db2.gz	RYMDEWUQBXJDLY-JTQLQIEISA-N	-1	0	276.296	0.179	20	30		CCEDRM
C[C@@H](C(=O)[O-])[C@H](C)NS(=O)(=O)c1cccc(C#N)c1	ZINC000133164014	284831319	/nfs/dbraw/zinc/83/13/19/284831319.db2.gz	BDSPWSYENDRZTJ-BDAKNGLRSA-N	-1	0	282.321	0.946	20	30		CCEDRM
CC[C@]1(C)NC(=O)N([N-]C(=O)c2cc(C#N)oc2C)C1=O	ZINC000281178320	195137046	/nfs/dbraw/zinc/13/70/46/195137046.db2.gz	DVPHNXRWNBBJCF-ZDUSSCGKSA-N	-1	0	290.279	0.825	20	30		CCEDRM
C#C[C@H](C)NC(=O)c1ccccc1[N-]S(C)(=O)=O	ZINC000185368653	388801342	/nfs/dbraw/zinc/80/13/42/388801342.db2.gz	JIGFWKUGSVWCFJ-VIFPVBQESA-N	-1	0	266.322	0.810	20	30		CCEDRM
CC#CC(=O)N1CCC(c2nc(C(=O)OCC)n[nH]2)CC1	ZINC000283848276	388771065	/nfs/dbraw/zinc/77/10/65/388771065.db2.gz	VJDCWMKHBATLQR-UHFFFAOYSA-N	-1	0	290.323	0.711	20	30		CCEDRM
CSc1nn(CC(=O)NC2(C#N)CCCCC2)c(=O)[n-]1	ZINC000188174202	388917312	/nfs/dbraw/zinc/91/73/12/388917312.db2.gz	AWOWIYUYUADJJO-UHFFFAOYSA-N	-1	0	295.368	0.636	20	30		CCEDRM
C=CCN=c1[n-]nc(S[C@H](CC)C(N)=O)s1	ZINC000336739073	389017970	/nfs/dbraw/zinc/01/79/70/389017970.db2.gz	OTVMVQYAOJMYQR-ZCFIWIBFSA-N	-1	0	258.372	0.914	20	30		CCEDRM
Cc1c(C#N)cccc1C(=O)NCCc1nc(=N)[n-]o1	ZINC000338225329	389093918	/nfs/dbraw/zinc/09/39/18/389093918.db2.gz	KQPMMTZZKOXTML-UHFFFAOYSA-N	-1	0	271.280	0.635	20	30		CCEDRM
CS(=O)(=O)[N-]c1ccccc1C(=O)NCC#N	ZINC000339922217	389140844	/nfs/dbraw/zinc/14/08/44/389140844.db2.gz	FWZGIDQESFXWET-UHFFFAOYSA-N	-1	0	253.283	0.311	20	30		CCEDRM
CN(C)c1n[nH]c(NC(=O)c2ccc(C#N)c([O-])c2)n1	ZINC000340975650	389173105	/nfs/dbraw/zinc/17/31/05/389173105.db2.gz	GOTXZTPHGMSPFZ-UHFFFAOYSA-N	-1	0	272.268	0.700	20	30		CCEDRM
N#CC1(CS(=O)(=O)N[C@@H]2CCO[C@H]2C2CC2)CC1	ZINC000329597930	389174459	/nfs/dbraw/zinc/17/44/59/389174459.db2.gz	CVOKFJDNLGOMCW-MNOVXSKESA-N	-1	0	270.354	0.777	20	30		CCEDRM
CC(C)Oc1ccc(=NC(=O)NC[C@@H](C)O)[n-]n1	ZINC000330581011	389243589	/nfs/dbraw/zinc/24/35/89/389243589.db2.gz	UESDANUTNJBPPT-MRVPVSSYSA-N	-1	0	254.290	0.392	20	30		CCEDRM
Cc1nsc(NCCc2nc(=N)[n-]o2)c1C#N	ZINC000342293655	389207599	/nfs/dbraw/zinc/20/75/99/389207599.db2.gz	MENAGZLTFQNOSP-UHFFFAOYSA-N	-1	0	250.287	0.773	20	30		CCEDRM
C[C@H](CO)C[N-]S(=O)(=O)c1c(F)cc(C#N)cc1F	ZINC000159728898	389372678	/nfs/dbraw/zinc/37/26/78/389372678.db2.gz	OPVJNECPLYCFLH-ZETCQYMHSA-N	-1	0	290.291	0.743	20	30		CCEDRM
N#CC1(C(=O)NC2(c3nnn[n-]3)CC2)CCCCC1	ZINC000348295693	389373537	/nfs/dbraw/zinc/37/35/37/389373537.db2.gz	YSBXAYZCVDTBLA-UHFFFAOYSA-N	-1	0	260.301	0.779	20	30		CCEDRM
CC(C)[C@@](C)(C#N)NC(=O)CSc1n[nH]c(=O)[n-]1	ZINC000187642940	260043018	/nfs/dbraw/zinc/04/30/18/260043018.db2.gz	MKKFAPJUKCMZEV-SNVBAGLBSA-N	-1	0	269.330	0.657	20	30		CCEDRM
C=CCS(=O)(=O)[N-]C(=O)[C@@H]1CCO[C@H](CC)C1	ZINC000408396702	389346327	/nfs/dbraw/zinc/34/63/27/389346327.db2.gz	UVGGEYAYGZFEGM-NXEZZACHSA-N	-1	0	261.343	0.824	20	30		CCEDRM
C=CCS(=O)(=O)[N-]C(=O)[C@@H]1CCC(=O)C[C@H]1C	ZINC000408475579	389362047	/nfs/dbraw/zinc/36/20/47/389362047.db2.gz	FWLXPUVXCAUTOQ-PSASIEDQSA-N	-1	0	259.327	0.624	20	30		CCEDRM
C=CCN1C(=O)N=NC1S[C@@H](C)C(=O)NC(=O)NCC	ZINC000348143257	389365801	/nfs/dbraw/zinc/36/58/01/389365801.db2.gz	LOBZHTVZCOZLMR-ZETCQYMHSA-N	-1	0	299.356	0.496	20	30		CCEDRM
C=CCCCNS(=O)(=O)c1cc(C(=O)[O-])n(C)c1	ZINC000280449047	389599861	/nfs/dbraw/zinc/59/98/61/389599861.db2.gz	KNZGOAMRXFGKST-UHFFFAOYSA-N	-1	0	272.326	0.968	20	30		CCEDRM
C=CC[C@H](CC)NC(=O)N=c1ncn(CC(=O)OCC)[n-]1	ZINC000425699814	389655607	/nfs/dbraw/zinc/65/56/07/389655607.db2.gz	AIYRRWFDHJXDJE-JTQLQIEISA-N	-1	0	295.343	0.739	20	30		CCEDRM
C=CCCCS(=O)(=O)Nc1nc2nc(C)cc(=O)n2[n-]1	ZINC000427775651	389683077	/nfs/dbraw/zinc/68/30/77/389683077.db2.gz	GRRSXGPNMPPCLA-UHFFFAOYSA-N	-1	0	297.340	0.434	20	30		CCEDRM
Cc1c(/C=C/C(=O)[N-]S(=O)(=O)CCCC#N)cnn1C	ZINC000181256582	389683678	/nfs/dbraw/zinc/68/36/78/389683678.db2.gz	WCXYFUWKTQXLAM-AATRIKPKSA-N	-1	0	296.352	0.492	20	30		CCEDRM
Cc1ncc(S(=O)(=O)NC[C@H](C)C(=O)[O-])cc1C#N	ZINC000388358230	389769432	/nfs/dbraw/zinc/76/94/32/389769432.db2.gz	DJLLNPGPCOMZIQ-ZETCQYMHSA-N	-1	0	283.309	0.261	20	30		CCEDRM
N#Cc1ccc(CNC(=O)[C@@H]2CC[C@H](C(=O)[O-])O2)cc1F	ZINC000404042208	389810071	/nfs/dbraw/zinc/81/00/71/389810071.db2.gz	AORIXZJEBCSTGU-NWDGAFQWSA-N	-1	0	292.266	0.946	20	30		CCEDRM
CCC[C@H](NC(=O)c1c[nH]c(C#N)c1)c1nnn[n-]1	ZINC000352443047	389811886	/nfs/dbraw/zinc/81/18/86/389811886.db2.gz	CHUCNARNGARYDM-VIFPVBQESA-N	-1	0	259.273	0.671	20	30		CCEDRM
C[C@@H](CN(C)C(=O)c1ccc(C#N)c(O)c1)c1nnn[n-]1	ZINC000442814760	389864192	/nfs/dbraw/zinc/86/41/92/389864192.db2.gz	VLKBTRKPTOSLLU-QMMMGPOBSA-N	-1	0	286.295	0.653	20	30		CCEDRM
N#Cc1ccc(C(=O)NC2(c3nnn[n-]3)CCCC2)[nH]1	ZINC000443746164	389884180	/nfs/dbraw/zinc/88/41/80/389884180.db2.gz	IJJJJMCZCHIELH-UHFFFAOYSA-N	-1	0	271.284	0.599	20	30		CCEDRM
O=C(NCC#CCO)c1ccc([N+](=O)[O-])cc1[O-]	ZINC000436527736	389978889	/nfs/dbraw/zinc/97/88/89/389978889.db2.gz	DZAOFTIBIRHAMD-UHFFFAOYSA-N	-1	0	250.210	0.026	20	30		CCEDRM
N#C[C@@]1(NC(=O)c2ccc([N+](=O)[O-])cc2[O-])CCOC1	ZINC000436936425	389987581	/nfs/dbraw/zinc/98/75/81/389987581.db2.gz	FPXYMNVKVSZLBW-LBPRGKRZSA-N	-1	0	277.236	0.713	20	30		CCEDRM
C=C(C)[C@@H]1OCC[C@H]1CNC(=O)Cc1n[n-]c(=NC)s1	ZINC000437526633	389993928	/nfs/dbraw/zinc/99/39/28/389993928.db2.gz	SABRUCSRMUXDQA-CABZTGNLSA-N	-1	0	296.396	0.642	20	30		CCEDRM
C=CCCCNC(=O)C(=O)N1C[C@@H]2CCC[C@@]2(C(=O)[O-])C1	ZINC000420571256	390013467	/nfs/dbraw/zinc/01/34/67/390013467.db2.gz	XRIUWZYCUOLUCV-XHDPSFHLSA-N	-1	0	294.351	0.782	20	30		CCEDRM
C=CCS(=O)(=O)[N-]C(=O)CCCN(C)C(=O)OC	ZINC000494487987	390177186	/nfs/dbraw/zinc/17/71/86/390177186.db2.gz	WQOPONUGFRFOQB-UHFFFAOYSA-N	-1	0	278.330	0.097	20	30		CCEDRM
C=CC[C@@H](CO)CNC(=O)N=c1ncn(C(C)(C)C)[n-]1	ZINC000542436691	390260806	/nfs/dbraw/zinc/26/08/06/390260806.db2.gz	TXVYVUCUJNJILY-SNVBAGLBSA-N	-1	0	281.360	0.761	20	30		CCEDRM
C=CCOC[C@H](NC(=O)[C@H](CC)OCC)C(=O)[O-]	ZINC000519585197	390512458	/nfs/dbraw/zinc/51/24/58/390512458.db2.gz	QBESMDVQVSEBLU-UWVGGRQHSA-N	-1	0	259.302	0.574	20	30		CCEDRM
C=CCn1cc(C(=O)NC2(CC(=O)[O-])CCC2)nn1	ZINC000649244429	390535115	/nfs/dbraw/zinc/53/51/15/390535115.db2.gz	FJIQWKMKCRSDQA-UHFFFAOYSA-N	-1	0	264.285	0.591	20	30		CCEDRM
C=CCn1cc(C(=O)NC[C@H](CCC)C(=O)[O-])nn1	ZINC000649251317	390538340	/nfs/dbraw/zinc/53/83/40/390538340.db2.gz	VKVKEFGINOKZTI-VIFPVBQESA-N	-1	0	266.301	0.695	20	30		CCEDRM
C=CC[C@@H](CO)CNC(=O)N[C@@H]1CC[C@H](C(=O)[O-])C1	ZINC000646176554	390624401	/nfs/dbraw/zinc/62/44/01/390624401.db2.gz	CSBKNVOWZIMSRP-OUAUKWLOSA-N	-1	0	270.329	0.724	20	30		CCEDRM
C=CCOc1ccc(C(=O)N=c2[n-]nc3nc[nH]n32)cc1	ZINC000646264732	390653182	/nfs/dbraw/zinc/65/31/82/390653182.db2.gz	CGAMOUTZRXGTRW-UHFFFAOYSA-N	-1	0	284.279	0.691	20	30		CCEDRM
C=C(C)CS(=O)(=O)N1C[C@@H](C(=O)[O-])[C@@]2(CCOC2)C1	ZINC000567506152	390702302	/nfs/dbraw/zinc/70/23/02/390702302.db2.gz	FNLLHPARTDTISD-JQWIXIFHSA-N	-1	0	289.353	0.315	20	30		CCEDRM
N#CC1(CS(=O)(=O)NC[C@@H](CC(=O)[O-])C(F)F)CC1	ZINC000569737162	390716464	/nfs/dbraw/zinc/71/64/64/390716464.db2.gz	VRKZMVYWTBSHFO-SSDOTTSWSA-N	-1	0	296.295	0.566	20	30		CCEDRM
CC#CC[C@H](CO)NC(=O)N=c1ncn(C(C)(C)C)[n-]1	ZINC000646353980	390670451	/nfs/dbraw/zinc/67/04/51/390670451.db2.gz	FUSBQIDQFXCVLQ-SNVBAGLBSA-N	-1	0	279.344	0.351	20	30		CCEDRM
C=C(C)CS(=O)(=O)N1C[C@@H](C(=O)[O-])[C@]2(CCOC2)C1	ZINC000567506151	390702173	/nfs/dbraw/zinc/70/21/73/390702173.db2.gz	FNLLHPARTDTISD-CMPLNLGQSA-N	-1	0	289.353	0.315	20	30		CCEDRM
N#Cc1c[n-]c(=O)n(CC(=O)CCC2CCCC2)c1=O	ZINC000647140425	390779214	/nfs/dbraw/zinc/77/92/14/390779214.db2.gz	HITSAMKCNNYOHL-UHFFFAOYSA-N	-1	0	275.308	0.948	20	30		CCEDRM
C[C@@H]1C[C@@H](C)CN(S(=O)(=O)[N-]c2nn(C)cc2C#N)C1	ZINC000531780776	390878338	/nfs/dbraw/zinc/87/83/38/390878338.db2.gz	LTHPWCRRTNPEJV-NXEZZACHSA-N	-1	0	297.384	0.926	20	30		CCEDRM
C=CCCN(C)C(=O)C(=O)N1CC[C@@H](C)[C@H](C(=O)[O-])C1	ZINC000647504529	390825496	/nfs/dbraw/zinc/82/54/96/390825496.db2.gz	AFYFOMMGSLQHDT-GHMZBOCLSA-N	-1	0	282.340	0.590	20	30		CCEDRM
C=CCCN(C)C(=O)C(=O)N1CC[C@@H](C)[C@@H](C(=O)[O-])C1	ZINC000647504530	390825638	/nfs/dbraw/zinc/82/56/38/390825638.db2.gz	AFYFOMMGSLQHDT-MNOVXSKESA-N	-1	0	282.340	0.590	20	30		CCEDRM
COc1ccc(=NC(=O)NC[C@H]2CCCOC2)[n-]n1	ZINC000329103302	533253223	/nfs/dbraw/zinc/25/32/23/533253223.db2.gz	DENRBBIXOZSZEV-SECBINFHSA-N	-1	0	266.301	0.660	20	30		CCEDRM
C[C@H](CN(C)S(=O)(=O)c1ccc(C#N)o1)C(=O)[O-]	ZINC000262309410	131210329	/nfs/dbraw/zinc/21/03/29/131210329.db2.gz	NHDQCUKPENXUGF-SSDOTTSWSA-N	-1	0	272.282	0.492	20	30		CCEDRM
C#Cc1cccc(NC(=O)CNC(=O)[C@H]2C[C@@H]2C(=O)[O-])c1	ZINC000262651175	131247070	/nfs/dbraw/zinc/24/70/70/131247070.db2.gz	RXBYGZLCJCMGMS-RYUDHWBXSA-N	-1	0	286.287	0.443	20	30		CCEDRM
C=CCCO[C@@H](C)C(=O)N1CCO[C@@H](CC(=O)[O-])C1	ZINC000262804211	131262822	/nfs/dbraw/zinc/26/28/22/131262822.db2.gz	PNGRQCQVUVGBMC-QWRGUYRKSA-N	-1	0	271.313	0.670	20	30		CCEDRM
CCO[N-]C(=O)[C@H](C)NS(=O)(=O)c1ccc(C#N)cc1	ZINC000268749239	132060452	/nfs/dbraw/zinc/06/04/52/132060452.db2.gz	UNCDRABLPYPRAU-VIFPVBQESA-N	-1	0	297.336	0.293	20	30		CCEDRM
Cc1[n-][nH]c(=NC(=O)c2ccc3nncn3c2)c1C#N	ZINC000357233428	144071353	/nfs/dbraw/zinc/07/13/53/144071353.db2.gz	PXDVHOFVQRXFRS-UHFFFAOYSA-N	-1	0	267.252	0.307	20	30		CCEDRM
COc1cc([N-]S(=O)(=O)c2cncc(C#N)c2)ncn1	ZINC000357372477	144085939	/nfs/dbraw/zinc/08/59/39/144085939.db2.gz	PMWOKJYPTFKRRB-UHFFFAOYSA-N	-1	0	291.292	0.553	20	30		CCEDRM
CC(C)n1cc(C#N)c(=NC(=O)C(=O)NC[C@@H]2C[C@H]2C)[n-]1	ZINC000359064422	144192986	/nfs/dbraw/zinc/19/29/86/144192986.db2.gz	VHJFZKRGGPPVJU-ZJUUUORDSA-N	-1	0	289.339	0.468	20	30		CCEDRM
COC[C@@H](C(=O)[O-])N(C)S(=O)(=O)c1ccccc1C#N	ZINC000547904460	285987241	/nfs/dbraw/zinc/98/72/41/285987241.db2.gz	YKDZTZOLHQGHSD-JTQLQIEISA-N	-1	0	298.320	0.278	20	30		CCEDRM
C=CCN(C(=O)c1cnc(C(=O)[O-])cn1)[C@H](C)COC	ZINC000659193962	413336718	/nfs/dbraw/zinc/33/67/18/413336718.db2.gz	YRILOXOOKLGUKX-SECBINFHSA-N	-1	0	279.296	0.838	20	30		CCEDRM
C=CCN(C(=O)[C@@H]1CC[C@H](C(=O)[O-])O1)[C@H](C)COC	ZINC000659192708	413337511	/nfs/dbraw/zinc/33/75/11/413337511.db2.gz	OMMHRGUPZNDXMT-OUAUKWLOSA-N	-1	0	271.313	0.668	20	30		CCEDRM
COCCN(CC(=O)[O-])C(=O)c1ccc(C#N)c(C)n1	ZINC000049606361	292453358	/nfs/dbraw/zinc/45/33/58/292453358.db2.gz	IYNBUMQKMKTKLV-UHFFFAOYSA-N	-1	0	277.280	0.435	20	30		CCEDRM
C=CCNC(=O)NCc1ccc(S(=O)(=O)NC)s1	ZINC000060908752	411685406	/nfs/dbraw/zinc/68/54/06/411685406.db2.gz	VEEAJXZJYVXWHF-UHFFFAOYSA-N	-1	0	289.382	0.641	20	30		CCEDRM
C=CCn1cc(C(=O)NC[C@@H](CC2CC2)C(=O)[O-])nn1	ZINC000652098100	411986839	/nfs/dbraw/zinc/98/68/39/411986839.db2.gz	GYRSKAJCZVZXMV-SNVBAGLBSA-N	-1	0	278.312	0.695	20	30		CCEDRM
C=CCn1cc(C(=O)NC2(CC(=O)[O-])CC2)nn1	ZINC000652120229	411990521	/nfs/dbraw/zinc/99/05/21/411990521.db2.gz	AGJDNJFMEPNAQN-UHFFFAOYSA-N	-1	0	250.258	0.201	20	30		CCEDRM
N#Cc1ccc(C(=O)N2C[C@H](O)C[C@H]2C(=O)[O-])cc1	ZINC000022220013	171377502	/nfs/dbraw/zinc/37/75/02/171377502.db2.gz	CUHQFNLFCMGGLQ-MNOVXSKESA-N	-1	0	260.249	0.218	20	30		CCEDRM
C=CCOC[C@@H](NC(=O)c1cc(CCC)n[nH]1)C(=O)[O-]	ZINC000653658088	412330544	/nfs/dbraw/zinc/33/05/44/412330544.db2.gz	VQLKTXORQOJOFK-LLVKDONJSA-N	-1	0	281.312	0.748	20	30		CCEDRM
C=CCOC[C@H](NC(=O)[C@@H](C)OCC1CC1)C(=O)[O-]	ZINC000653658532	412330925	/nfs/dbraw/zinc/33/09/25/412330925.db2.gz	KOJPYFWZHFNMNX-KOLCDFICSA-N	-1	0	271.313	0.574	20	30		CCEDRM
C=C(C)[C@@H]1OCC[C@H]1CNC(=O)N1CCOC[C@H]1C(=O)[O-]	ZINC000654820092	412442164	/nfs/dbraw/zinc/44/21/64/412442164.db2.gz	SWNGHQHYONNHRF-SRVKXCTJSA-N	-1	0	298.339	0.463	20	30		CCEDRM
CC[C@@H](NC(=O)COc1ccccc1C#N)C(=O)[O-]	ZINC000035096408	171975107	/nfs/dbraw/zinc/97/51/07/171975107.db2.gz	VHLZBGBEBDBBKU-SNVBAGLBSA-N	-1	0	262.265	0.916	20	30		CCEDRM
C=CCC[C@@H](CO)NC(=O)NCC1(C(=O)[O-])CCC1	ZINC000659425655	413489124	/nfs/dbraw/zinc/48/91/24/413489124.db2.gz	KPOFTIKPDAKWTP-JTQLQIEISA-N	-1	0	270.329	0.868	20	30		CCEDRM
C=CCCCCCNC(=O)c1cnc([O-])n(C)c1=O	ZINC000575137087	335071550	/nfs/dbraw/zinc/07/15/50/335071550.db2.gz	QJGVYFIKEVHBAV-UHFFFAOYSA-N	-1	0	265.313	0.962	20	30		CCEDRM
C=C[C@@H]1OCC[C@H]1CNC(=O)[C@H](C(=O)[O-])C1CC1	ZINC000663057301	414968178	/nfs/dbraw/zinc/96/81/78/414968178.db2.gz	QWVHQUUFNYOJMX-GARJFASQSA-N	-1	0	253.298	0.805	20	30		CCEDRM
C=CCCS(=O)(=O)N1CC2(CCOCC2)[C@H]1C(=O)[O-]	ZINC000663289082	415038077	/nfs/dbraw/zinc/03/80/77/415038077.db2.gz	QGNWIDGNWRLAAI-SNVBAGLBSA-N	-1	0	289.353	0.458	20	30		CCEDRM
Cn1cc(N=C([O-])[C@H]2CCSC2)c(=O)n(C)c1=O	ZINC000329992886	228009257	/nfs/dbraw/zinc/00/92/57/228009257.db2.gz	KVPGLPCEBQFTMY-ZETCQYMHSA-N	-1	0	269.326	0.425	20	30		CCEDRM
O=C(N=c1[n-]nc(C(F)F)s1)N[C@H]1[C@@H]2COC[C@@H]21	ZINC000330346391	228162022	/nfs/dbraw/zinc/16/20/22/228162022.db2.gz	GMEMVDYLUBLSFX-SCDXWVJYSA-N	-1	0	276.268	0.868	20	30		CCEDRM
C=C(C)COCCNC(=O)[C@@H]1CC[C@@H](C(=O)[O-])O1	ZINC000222835113	544825141	/nfs/dbraw/zinc/82/51/41/544825141.db2.gz	RPZZXIFJFJMXBO-UWVGGRQHSA-N	-1	0	257.286	0.328	20	30		CCEDRM
NC(=O)[C@H]1CC[C@H](C/N=C/c2cc([N+](=O)[O-])ccc2[O-])O1	ZINC000159838836	261195469	/nfs/dbraw/zinc/19/54/69/261195469.db2.gz	PASGJSFKHHUFQA-TXMWFUAZSA-N	-1	0	293.279	0.752	20	30		CCEDRM
C=CCO[N-]C(=O)C1=NO[C@H](CNC(=O)OC(C)(C)C)C1	ZINC000497210627	262107140	/nfs/dbraw/zinc/10/71/40/262107140.db2.gz	PHXJUQHAONYNGY-VIFPVBQESA-N	-1	0	299.327	0.890	20	30		CCEDRM
O=C1CN(CC/N=C/c2cc([N+](=O)[O-])ccc2[O-])CCN1	ZINC000272684024	263008106	/nfs/dbraw/zinc/00/81/06/263008106.db2.gz	ZZQVMQHDHDGGRI-RIYZIHGNSA-N	-1	0	292.295	0.151	20	30		CCEDRM
CC[C@@H](C#N)[N-]S(=O)(=O)c1scnc1C(=O)OC	ZINC000275021543	263032087	/nfs/dbraw/zinc/03/20/87/263032087.db2.gz	MPCIZXXVACFFOB-LURJTMIESA-N	-1	0	289.338	0.510	20	30		CCEDRM
Cc1cc(C(=O)N2CC(C)(C#N)C2)[nH]c2nc(=O)[n-]c(=O)c1-2	ZINC000281787744	263071995	/nfs/dbraw/zinc/07/19/95/263071995.db2.gz	LVRCZGHQZTURDK-UHFFFAOYSA-N	-1	0	299.290	0.730	20	30		CCEDRM
C=CCCC[C@@H](C)NC(=O)C(=O)N=c1nc(C)n(C)[n-]1	ZINC000340165527	263082321	/nfs/dbraw/zinc/08/23/21/263082321.db2.gz	UNGAYJZXQXCIKE-SECBINFHSA-N	-1	0	279.344	0.345	20	30		CCEDRM
C=CCCCS(=O)(=O)N[C@H](CC(F)F)C(=O)[O-]	ZINC000291814855	263125760	/nfs/dbraw/zinc/12/57/60/263125760.db2.gz	DHRQKMVZAJEUFU-SSDOTTSWSA-N	-1	0	271.285	0.980	20	30		CCEDRM
C=CCCS(=O)(=O)[N-]c1ccn(CCOC)n1	ZINC000120155557	263281179	/nfs/dbraw/zinc/28/11/79/263281179.db2.gz	NYAZVWBQKNHYMJ-UHFFFAOYSA-N	-1	0	259.331	0.847	20	30		CCEDRM
CN(C(=O)c1c[nH]c2nc(=O)[n-]c(=O)c-2c1)C1(C#N)CCC1	ZINC000342100235	263386713	/nfs/dbraw/zinc/38/67/13/263386713.db2.gz	VCASJQNBCFJUTQ-UHFFFAOYSA-N	-1	0	299.290	0.954	20	30		CCEDRM
CSc1nc(=NC(=O)NC[C@H]2COCCO2)s[n-]1	ZINC000331075373	264114948	/nfs/dbraw/zinc/11/49/48/264114948.db2.gz	UXWCHWFLKCUGRX-LURJTMIESA-N	-1	0	290.370	0.423	20	30		CCEDRM
CN(CCCC(=O)[O-])S(=O)(=O)CC1(CC#N)CC1	ZINC000417424482	264239422	/nfs/dbraw/zinc/23/94/22/264239422.db2.gz	UXIVHHVSCNUZLE-UHFFFAOYSA-N	-1	0	274.342	0.807	20	30		CCEDRM
C=CC[C@H](NS(=O)(=O)N1CCCC[C@@H]1C)C(=O)[O-]	ZINC000161282014	264279477	/nfs/dbraw/zinc/27/94/77/264279477.db2.gz	FHHRSHZUDNCCIQ-UWVGGRQHSA-N	-1	0	276.358	0.725	20	30		CCEDRM
C=CC[C@@H](NS(=O)(=O)N1CCCCC1)C(=O)[O-]	ZINC000161293236	264279830	/nfs/dbraw/zinc/27/98/30/264279830.db2.gz	XJYWPCUEBYIUIU-SECBINFHSA-N	-1	0	262.331	0.336	20	30		CCEDRM
C=CCCS(=O)(=O)N[C@@H](COC(C)(C)C)C(=O)[O-]	ZINC000285038787	264543464	/nfs/dbraw/zinc/54/34/64/264543464.db2.gz	IYEMFDBCSARLEQ-VIFPVBQESA-N	-1	0	279.358	0.750	20	30		CCEDRM
C=CCOc1cccnc1C(=O)NC1(c2nnn[n-]2)CC1	ZINC000357094149	266246878	/nfs/dbraw/zinc/24/68/78/266246878.db2.gz	HGYVRBNDBRDJFA-UHFFFAOYSA-N	-1	0	286.295	0.579	20	30		CCEDRM
N#Cc1cc2c(nc1NCCc1nc(=N)[n-]o1)CCC2	ZINC000531253384	268194742	/nfs/dbraw/zinc/19/47/42/268194742.db2.gz	SQHFARGEQKMONQ-UHFFFAOYSA-N	-1	0	270.296	0.892	20	30		CCEDRM
COC[C@H](NC(=O)[C@@H](C)Oc1ccccc1C#N)C(=O)[O-]	ZINC000158318703	293141713	/nfs/dbraw/zinc/14/17/13/293141713.db2.gz	FZYGCLMNJOFCMM-KOLCDFICSA-N	-1	0	292.291	0.541	20	30		CCEDRM
C=CC[C@@H](CC)NC(=O)N1CCO[C@H](C(=O)[O-])C1	ZINC000393769053	545087789	/nfs/dbraw/zinc/08/77/89/545087789.db2.gz	WDJUNNVOXJXJCN-ZJUUUORDSA-N	-1	0	256.302	0.836	20	30		CCEDRM
Cc1cc(=NC(=O)N2CCO[C@H](C#N)C2)[n-]nc1C	ZINC000343562406	301046220	/nfs/dbraw/zinc/04/62/20/301046220.db2.gz	SFRPFPGNZZJPRV-SNVBAGLBSA-N	-1	0	261.285	0.272	20	30		CCEDRM
Cc1cn2ccnc(C(=O)Nc3nc(C#N)c(C#N)[n-]3)c2n1	ZINC000432403337	302327823	/nfs/dbraw/zinc/32/78/23/302327823.db2.gz	RRPNQYDOMUHNEW-UHFFFAOYSA-N	-1	0	292.262	0.756	20	30		CCEDRM
N#CC1(c2ccc(C(=O)NCc3n[n-]c(=N)o3)cc2)CC1	ZINC000354845189	303146962	/nfs/dbraw/zinc/14/69/62/303146962.db2.gz	XOCNDFASNIYBFW-UHFFFAOYSA-N	-1	0	283.291	0.967	20	30		CCEDRM
N#Cc1nc(NC(=O)[C@@H]2[C@H]3CCCO[C@H]32)[n-]c1C#N	ZINC000356340110	303216413	/nfs/dbraw/zinc/21/64/13/303216413.db2.gz	MIUPRWGEJRFDCZ-BDODKLCJSA-N	-1	0	257.253	0.517	20	30		CCEDRM
N#Cc1nc(NC(=O)[C@H]2CCCCS2(=O)=O)[n-]c1C#N	ZINC000361387040	303216426	/nfs/dbraw/zinc/21/64/26/303216426.db2.gz	SDMTVYXEKSQRLM-SECBINFHSA-N	-1	0	293.308	0.059	20	30		CCEDRM
CC[C@@H](C(=O)[O-])N(C)S(=O)(=O)CCCCC#N	ZINC000580144252	327709107	/nfs/dbraw/zinc/70/91/07/327709107.db2.gz	GGQHDZYZXCEDFP-VIFPVBQESA-N	-1	0	262.331	0.805	20	30		CCEDRM
C[C@H](CCNS(=O)(=O)c1ccc(C#N)nc1)CC(=O)[O-]	ZINC000392916302	329065737	/nfs/dbraw/zinc/06/57/37/329065737.db2.gz	HKZNKYFHSYXVKE-SECBINFHSA-N	-1	0	297.336	0.732	20	30		CCEDRM
N#CCCCS(=O)(=O)NCc1ccc(C(=O)[O-])o1	ZINC000274949557	328213976	/nfs/dbraw/zinc/21/39/76/328213976.db2.gz	GCJCQJPTKLJDTG-UHFFFAOYSA-N	-1	0	272.282	0.701	20	30		CCEDRM
N#CCCCS(=O)(=O)N[C@@H](C(=O)[O-])c1ccc(O)cc1	ZINC000275191608	328214362	/nfs/dbraw/zinc/21/43/62/328214362.db2.gz	FQCTWPSYMULXTM-LLVKDONJSA-N	-1	0	298.320	0.741	20	30		CCEDRM
N#CCCCS(=O)(=O)N[C@@H](CC(F)(F)F)C(=O)[O-]	ZINC000275191663	328214366	/nfs/dbraw/zinc/21/43/66/328214366.db2.gz	FSDLNKXXEIIZJU-LURJTMIESA-N	-1	0	288.247	0.615	20	30		CCEDRM
C=CCCS(=O)(=O)N1CC[C@H](C(=O)[O-])C(F)(F)C1	ZINC000289549896	328527292	/nfs/dbraw/zinc/52/72/92/328527292.db2.gz	CYHRBQMQHXEMDD-MRVPVSSYSA-N	-1	0	283.296	0.934	20	30		CCEDRM
C=CCC[C@H](CO)NS(=O)(=O)[N-]CC(F)(F)F	ZINC000320814498	328552537	/nfs/dbraw/zinc/55/25/37/328552537.db2.gz	XOAMQWLUBZWXOQ-SSDOTTSWSA-N	-1	0	276.280	0.300	20	30		CCEDRM
CC(C)[C@H](CC(=O)[O-])NS(=O)(=O)N(C)[C@H](C)CC#N	ZINC000584294672	327224950	/nfs/dbraw/zinc/22/49/50/327224950.db2.gz	BWEBYZFIDPMOKJ-ZJUUUORDSA-N	-1	0	291.373	0.554	20	30		CCEDRM
C=CCN=c1[n-]nc(SCc2cn(C)nn2)s1	ZINC000536449919	327239703	/nfs/dbraw/zinc/23/97/03/327239703.db2.gz	NHLRGRKQCZNRAM-UHFFFAOYSA-N	-1	0	268.371	0.979	20	30		CCEDRM
C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)N[C@H](CF)C(=O)[O-]	ZINC000583425666	327356827	/nfs/dbraw/zinc/35/68/27/327356827.db2.gz	ZLQHRQSFGKAXIB-BBBLOLIVSA-N	-1	0	274.292	0.690	20	30		CCEDRM
C=CCCS(=O)(=O)N1CCOC[C@H]1CC(=O)[O-]	ZINC000368413190	328937856	/nfs/dbraw/zinc/93/78/56/328937856.db2.gz	VIYONXJCWAGFSA-SECBINFHSA-N	-1	0	263.315	0.068	20	30		CCEDRM
C=CCOC[C@H](NS(=O)(=O)CC1CCCC1)C(=O)[O-]	ZINC000582723890	329130849	/nfs/dbraw/zinc/13/08/49/329130849.db2.gz	RLAZLOSUAIPAJB-NSHDSACASA-N	-1	0	291.369	0.752	20	30		CCEDRM
COc1ccc(=NC(=O)N[C@@H]2CC[C@H](C#N)C2)[n-]n1	ZINC000425659313	329600575	/nfs/dbraw/zinc/60/05/75/329600575.db2.gz	DLQUXVPZZPJVGB-DTWKUNHWSA-N	-1	0	261.285	0.721	20	30		CCEDRM
N#CCCNS(=O)(=O)c1ccc(OCC(=O)[O-])cc1	ZINC000054156411	329669025	/nfs/dbraw/zinc/66/90/25/329669025.db2.gz	DSSXFXWIZXLTHU-UHFFFAOYSA-N	-1	0	284.293	0.342	20	30		CCEDRM
C=CCCOCCNC(=O)C(=O)N1CCC[C@H](C(=O)[O-])C1	ZINC000420563216	329774773	/nfs/dbraw/zinc/77/47/73/329774773.db2.gz	OPKLEEJDMXMQGF-NSHDSACASA-N	-1	0	298.339	0.019	20	30		CCEDRM
C=C(C)CS(=O)(=O)N[C@@H](CC(F)(F)F)C(=O)[O-]	ZINC000572361028	330001803	/nfs/dbraw/zinc/00/18/03/330001803.db2.gz	ZCXYMZZBIQTVPK-LURJTMIESA-N	-1	0	275.248	0.888	20	30		CCEDRM
CC(C)C[C@@H](CNS(=O)(=O)CCCC#N)C(=O)[O-]	ZINC000262498620	330017735	/nfs/dbraw/zinc/01/77/35/330017735.db2.gz	XKDRYUGTNQHCPI-JTQLQIEISA-N	-1	0	276.358	0.956	20	30		CCEDRM
C=CCOC[C@H](NC(=O)c1ccc(C)n1C)C(=O)[O-]	ZINC000262912576	330036748	/nfs/dbraw/zinc/03/67/48/330036748.db2.gz	FNLWYKBZLWGFSO-JTQLQIEISA-N	-1	0	266.297	0.719	20	30		CCEDRM
C=CCOC[C@H](NC(=O)c1cnn2c1CCCC2)C(=O)[O-]	ZINC000263080632	330042629	/nfs/dbraw/zinc/04/26/29/330042629.db2.gz	RYYUNWYDVCWVKF-NSHDSACASA-N	-1	0	293.323	0.605	20	30		CCEDRM
C=CCOC[C@H](NC(=O)[C@@]1(C)CCCO1)C(=O)[O-]	ZINC000263113262	330044302	/nfs/dbraw/zinc/04/43/02/330044302.db2.gz	UWNHCEKINBOVKJ-JOYOIKCWSA-N	-1	0	257.286	0.328	20	30		CCEDRM
C=CCOC[C@H](NC(=O)c1ccc(C)o1)C(=O)[O-]	ZINC000263145624	330045723	/nfs/dbraw/zinc/04/57/23/330045723.db2.gz	WYXBXHINUWAMAI-VIFPVBQESA-N	-1	0	253.254	0.974	20	30		CCEDRM
C=CCOC[C@@H](NC(=O)c1ccn(C(C)C)n1)C(=O)[O-]	ZINC000263154476	330046256	/nfs/dbraw/zinc/04/62/56/330046256.db2.gz	XQGYIPHPKUNQLP-LLVKDONJSA-N	-1	0	281.312	0.850	20	30		CCEDRM
C=CCOc1cccnc1C(=O)NC[C@@H](OC)C(=O)[O-]	ZINC000263156071	330046359	/nfs/dbraw/zinc/04/63/59/330046359.db2.gz	XSHFUJMIRHDOIF-SNVBAGLBSA-N	-1	0	280.280	0.476	20	30		CCEDRM
C#C[C@@H]1COCCN1C(=O)NC1CCC(C(=O)[O-])CC1	ZINC000263452981	330056456	/nfs/dbraw/zinc/05/64/56/330056456.db2.gz	GQZLHLTYHDXPAP-HTAVTVPLSA-N	-1	0	280.324	0.673	20	30		CCEDRM
C[C@H](CN(C)S(=O)(=O)CC1(CC#N)CC1)C(=O)[O-]	ZINC000263509370	330058433	/nfs/dbraw/zinc/05/84/33/330058433.db2.gz	XBAQDWZVRZTFNJ-SECBINFHSA-N	-1	0	274.342	0.663	20	30		CCEDRM
CCN(CCC#N)S(=O)(=O)N[C@@H](CC(C)C)C(=O)[O-]	ZINC000263548496	330059452	/nfs/dbraw/zinc/05/94/52/330059452.db2.gz	IWZGEOZCHONZTP-JTQLQIEISA-N	-1	0	291.373	0.556	20	30		CCEDRM
CC(C)C[C@H](NS(=O)(=O)N(C)C[C@H](C)C#N)C(=O)[O-]	ZINC000263569304	330062160	/nfs/dbraw/zinc/06/21/60/330062160.db2.gz	ZHKSDPMYAWRPTQ-ZJUUUORDSA-N	-1	0	291.373	0.412	20	30		CCEDRM
C=CC[C@H](C)NS(=O)(=O)c1cnn(CC(=O)[O-])c1	ZINC000162554496	330068071	/nfs/dbraw/zinc/06/80/71/330068071.db2.gz	KUGQWLYBDHJLDJ-QMMMGPOBSA-N	-1	0	273.314	0.211	20	30		CCEDRM
C[C@H]1C[C@H](C(=O)[O-])CN(S(=O)(=O)N(C)CCC#N)C1	ZINC000422555261	330149115	/nfs/dbraw/zinc/14/91/15/330149115.db2.gz	OQSFIWSZRPRHDT-UWVGGRQHSA-N	-1	0	289.357	0.119	20	30		CCEDRM
C=C(C)CN(CC)C(=O)C(=O)N(C)C[C@H](C)C(=O)[O-]	ZINC000422707307	330151073	/nfs/dbraw/zinc/15/10/73/330151073.db2.gz	HHIYOMSXRPPOGU-JTQLQIEISA-N	-1	0	270.329	0.590	20	30		CCEDRM
C=CCCCN(C)C(=O)C(=O)N1C[C@H](C(=O)[O-])C[C@H](C)C1	ZINC000422837498	330156792	/nfs/dbraw/zinc/15/67/92/330156792.db2.gz	USVVZMKITBIVLH-NWDGAFQWSA-N	-1	0	296.367	0.980	20	30		CCEDRM
C=C[C@H]1CCCCN1C(=O)C(=O)N(C)CCCC(=O)[O-]	ZINC000422904305	330159365	/nfs/dbraw/zinc/15/93/65/330159365.db2.gz	GSUPPXHRCQDYTM-NSHDSACASA-N	-1	0	282.340	0.877	20	30		CCEDRM
C#C[C@@H]1COCCN1C(=O)N=c1cc(C)c(C)n[n-]1	ZINC000491339261	332193137	/nfs/dbraw/zinc/19/31/37/332193137.db2.gz	OTFMKNFZMWAFEF-LLVKDONJSA-N	-1	0	260.297	0.381	20	30		CCEDRM
C#CCN(C)C(=O)Cc1c(C)nc(-c2ncccn2)[n-]c1=O	ZINC000491820222	332369930	/nfs/dbraw/zinc/36/99/30/332369930.db2.gz	QOLNPVNTZJMUOG-UHFFFAOYSA-N	-1	0	297.318	0.582	20	30		CCEDRM
C=CCOC[C@@H](NC(=O)N[C@@H](C)CCOC)C(=O)[O-]	ZINC000575448578	335104589	/nfs/dbraw/zinc/10/45/89/335104589.db2.gz	SVVUMCVEYNIGRK-VHSXEESVSA-N	-1	0	274.317	0.366	20	30		CCEDRM
C#CCO[N-]C(=O)[C@H](C)N(C)C(=O)OC(C)(C)C	ZINC000496467114	332550458	/nfs/dbraw/zinc/55/04/58/332550458.db2.gz	DEZJGALVVMVMFV-VIFPVBQESA-N	-1	0	256.302	0.923	20	30		CCEDRM
CON=CC(=O)[N-]OC[C@@H](C)NC(=O)OC(C)(C)C	ZINC000496876684	332563056	/nfs/dbraw/zinc/56/30/56/332563056.db2.gz	RXNOUSOXQHXAAE-MRVPVSSYSA-N	-1	0	275.305	0.580	20	30		CCEDRM
C=CCOC[C@H](NS(=O)(=O)CCCCF)C(=O)[O-]	ZINC000516864691	333084703	/nfs/dbraw/zinc/08/47/03/333084703.db2.gz	DHFXGVUMKZMJIJ-VIFPVBQESA-N	-1	0	283.321	0.311	20	30		CCEDRM
CC1(C(=O)[O-])CCN(S(=O)(=O)CC2(C#N)CC2)CC1	ZINC000547915864	334129401	/nfs/dbraw/zinc/12/94/01/334129401.db2.gz	MVFVEZDOOFKOBO-UHFFFAOYSA-N	-1	0	286.353	0.807	20	30		CCEDRM
N#CC1(CS(=O)(=O)N2C[C@@H]3CCC[C@@H]3[C@@H]2C(=O)[O-])CC1	ZINC000548028001	334135634	/nfs/dbraw/zinc/13/56/34/334135634.db2.gz	KVENTBSFQYNVRU-GARJFASQSA-N	-1	0	298.364	0.805	20	30		CCEDRM
COCCN(CC(=O)[O-])S(=O)(=O)CCCCC#N	ZINC000548570923	334162644	/nfs/dbraw/zinc/16/26/44/334162644.db2.gz	ZGPDEFHQUCRJBQ-UHFFFAOYSA-N	-1	0	278.330	0.043	20	30		CCEDRM
N#CCCCS(=O)(=O)N[C@@H](Cc1ccco1)C(=O)[O-]	ZINC000548553661	334162482	/nfs/dbraw/zinc/16/24/82/334162482.db2.gz	IHWJDGJZLVTFMQ-JTQLQIEISA-N	-1	0	286.309	0.498	20	30		CCEDRM
C=CCCS(=O)(=O)N[C@H](C(=O)[O-])[C@@H](C)C1CC1	ZINC000548867644	334177694	/nfs/dbraw/zinc/17/76/94/334177694.db2.gz	QVBOJWNIMCPZKI-WPRPVWTQSA-N	-1	0	261.343	0.981	20	30		CCEDRM
C=CCC[C@H](NS(=O)(=O)c1c(C)cnn1C)C(=O)[O-]	ZINC000551995859	334271556	/nfs/dbraw/zinc/27/15/56/334271556.db2.gz	VBJRVKQTHUALRN-VIFPVBQESA-N	-1	0	287.341	0.426	20	30		CCEDRM
C=CCOC[C@H](NC(=O)NC[C@@H]1CCCCO1)C(=O)[O-]	ZINC000567372268	334710014	/nfs/dbraw/zinc/71/00/14/334710014.db2.gz	LRCLQZRLPSQHQE-QWRGUYRKSA-N	-1	0	286.328	0.511	20	30		CCEDRM
C[C@H](CNS(=O)(=O)CC1(CC#N)CC1)C(=O)[O-]	ZINC000568635260	334833897	/nfs/dbraw/zinc/83/38/97/334833897.db2.gz	SUZWDGZCKMVGNO-MRVPVSSYSA-N	-1	0	260.315	0.320	20	30		CCEDRM
C[C@@H](Sc1n[n-]c(=N)n1C)C(=O)NC1(C#N)CCC1	ZINC000569120096	334856685	/nfs/dbraw/zinc/85/66/85/334856685.db2.gz	ZLNYERJAYQKIPH-SSDOTTSWSA-N	-1	0	280.357	0.271	20	30		CCEDRM
N#CC1(CNC(=O)N=c2nc3ccccn3[n-]2)CCC1	ZINC000576963696	335270999	/nfs/dbraw/zinc/27/09/99/335270999.db2.gz	AJHYXKIREIVWNE-UHFFFAOYSA-N	-1	0	270.296	0.967	20	30		CCEDRM
C[C@@H]1CCCC[C@H]1NC(=O)Cn1c(=O)[n-]cc(C#N)c1=O	ZINC000577396589	335348084	/nfs/dbraw/zinc/34/80/84/335348084.db2.gz	ZSDWCGDQUGWWCO-MWLCHTKSSA-N	-1	0	290.323	0.103	20	30		CCEDRM
C=CCOC[C@@H](NS(=O)(=O)CCC1CC1)C(=O)[O-]	ZINC000578320291	335607116	/nfs/dbraw/zinc/60/71/16/335607116.db2.gz	MQGRRYLCURFOGT-SNVBAGLBSA-N	-1	0	277.342	0.362	20	30		CCEDRM
N#CCC1(CNC(=O)[C@@H]2CC[C@@H](C(=O)[O-])O2)CC1	ZINC000362335236	335855393	/nfs/dbraw/zinc/85/53/93/335855393.db2.gz	RAIXQNYEMTYPEX-IUCAKERBSA-N	-1	0	252.270	0.429	20	30		CCEDRM
C[C@H](CCCC(=O)[O-])NS(=O)(=O)CC1(C#N)CC1	ZINC000579904989	335920665	/nfs/dbraw/zinc/92/06/65/335920665.db2.gz	GODRMGQQBXLHPG-SECBINFHSA-N	-1	0	274.342	0.853	20	30		CCEDRM
N#CCCCCS(=O)(=O)NC[C@H](CC(=O)[O-])C(F)F	ZINC000581751377	336142265	/nfs/dbraw/zinc/14/22/65/336142265.db2.gz	WWTBGVFKVPNOLR-QMMMGPOBSA-N	-1	0	298.311	0.956	20	30		CCEDRM
C[C@@H](CN(C)S(=O)(=O)c1ccccc1C#N)C(=O)[O-]	ZINC000042703671	533747678	/nfs/dbraw/zinc/74/76/78/533747678.db2.gz	UUWCZNDRKRLJNX-VIFPVBQESA-N	-1	0	282.321	0.899	20	30		CCEDRM
C=C[C@@H](C)NC(=O)C(=O)N=c1ncn(C(C)(C)C)[n-]1	ZINC000344572130	527395632	/nfs/dbraw/zinc/39/56/32/527395632.db2.gz	WUEXCLNIKIKGGT-MRVPVSSYSA-N	-1	0	265.317	0.084	20	30		CCEDRM
C=C[C@@H](CO)[N-]S(=O)(=O)c1c(F)cccc1F	ZINC000349798510	527440689	/nfs/dbraw/zinc/44/06/89/527440689.db2.gz	IOCSCJGDCPEBRN-ZETCQYMHSA-N	-1	0	263.265	0.790	20	30		CCEDRM
C=C[C@H](CO)NC(=O)N=c1ncn(C(C)(C)C)[n-]1	ZINC000350518309	527583928	/nfs/dbraw/zinc/58/39/28/527583928.db2.gz	ZOQUZUCOWOHUFO-MRVPVSSYSA-N	-1	0	253.306	0.123	20	30		CCEDRM
CC(C)[C@@H](NC(=O)C(=O)Nc1ccc(C#N)cc1)C(=O)[O-]	ZINC000422661822	528539337	/nfs/dbraw/zinc/53/93/37/528539337.db2.gz	MRSVZBROJFHSFJ-LLVKDONJSA-N	-1	0	289.291	0.722	20	30		CCEDRM
C=CCCOCC(=O)N[C@@](C)(COC)CC(=O)[O-]	ZINC000678987861	545400832	/nfs/dbraw/zinc/40/08/32/545400832.db2.gz	FEETYCPLVPEMDX-GFCCVEGCSA-N	-1	0	259.302	0.575	20	30		CCEDRM
C=CC[C@@H](NS(=O)(=O)[C@H](C)CCOC)C(=O)[O-]	ZINC000681559068	545456269	/nfs/dbraw/zinc/45/62/69/545456269.db2.gz	ZKIKQCGDODAZPO-RKDXNWHRSA-N	-1	0	265.331	0.360	20	30		CCEDRM
NC(=O)CON=C1CC[C@H](C(=O)[O-])c2ccccc21	ZINC000789036303	581131508	/nfs/dbraw/zinc/13/15/08/581131508.db2.gz	BRWZQAMMJQNERX-JTQLQIEISA-N	-1	0	262.265	0.855	20	30		CCEDRM
CCC[C@H](NC(=O)[O-])C(=O)NC1CCN(CC#N)CC1	ZINC000739313935	581107193	/nfs/dbraw/zinc/10/71/93/581107193.db2.gz	PPXZSNRSIFPPCH-NSHDSACASA-N	-1	0	282.344	0.527	20	30		CCEDRM
COc1ccc(C=NN[C@H]2CCOC2)c(OCC(=O)[O-])c1	ZINC000788449508	581111817	/nfs/dbraw/zinc/11/18/17/581111817.db2.gz	ZONPHRGKASESGO-NSHDSACASA-N	-1	0	294.307	0.871	20	30		CCEDRM
C[C@@H]1OC(=O)N[C@@H]1C(=O)Nc1cc(C#N)ccc1[O-]	ZINC000788662821	581120897	/nfs/dbraw/zinc/12/08/97/581120897.db2.gz	ZRNDNLZGOAPAPK-WKEGUHRASA-N	-1	0	261.237	0.699	20	30		CCEDRM
N#CC1(NC(=O)COC(=O)[C@H]2C[C@H]2C(=O)[O-])CCCCC1	ZINC000739066912	581164752	/nfs/dbraw/zinc/16/47/52/581164752.db2.gz	UXIXAMJHHREYLF-ZJUUUORDSA-N	-1	0	294.307	0.593	20	30		CCEDRM
C=CCCC(=O)[N-]S(=O)(=O)c1c(C)nn(C)c1OC	ZINC000778842703	581167796	/nfs/dbraw/zinc/16/77/96/581167796.db2.gz	GQXNYRHHJVTTCT-UHFFFAOYSA-N	-1	0	287.341	0.508	20	30		CCEDRM
N#CCN(CC(=O)[O-])C(=O)c1cc2c(s1)CCOC2	ZINC000739079388	581172750	/nfs/dbraw/zinc/17/27/50/581172750.db2.gz	WRKPISCUKSFQRC-UHFFFAOYSA-N	-1	0	280.305	0.871	20	30		CCEDRM
CN(C(=O)[O-])C1CCN(CC(=O)NCCC#N)CC1	ZINC000737938634	581181238	/nfs/dbraw/zinc/18/12/38/581181238.db2.gz	FJMFKZVAKOIBTC-UHFFFAOYSA-N	-1	0	268.317	0.090	20	30		CCEDRM
CC#CCS(=O)(=O)[N-]C(=O)CCc1ccco1	ZINC000791105947	581207732	/nfs/dbraw/zinc/20/77/32/581207732.db2.gz	FYPMKABQMAYJOD-UHFFFAOYSA-N	-1	0	255.295	0.682	20	30		CCEDRM
C=CCNC(=O)C(C#N)=C([O-])c1cncc(OC)n1	ZINC000791770280	581233510	/nfs/dbraw/zinc/23/35/10/581233510.db2.gz	BHDMPDFDJBEYEW-QMMMGPOBSA-N	-1	0	260.253	0.110	20	30		CCEDRM
Cn1cc(C#N)cc1C(=O)[N-]S(=O)(=O)[C@@H]1CCCOC1	ZINC000780618085	581236855	/nfs/dbraw/zinc/23/68/55/581236855.db2.gz	WFURRSIUFMIIQQ-SNVBAGLBSA-N	-1	0	297.336	0.135	20	30		CCEDRM
Cc1nc(NC(=O)CCC(=O)[O-])n(-c2ccc(C#N)cc2)n1	ZINC000738360830	581272239	/nfs/dbraw/zinc/27/22/39/581272239.db2.gz	MZQQUPLTOVDGSA-UHFFFAOYSA-N	-1	0	299.290	0.673	20	30		CCEDRM
N#Cc1cccc(CS(=O)(=O)NC2(C(=O)[O-])CC2)c1	ZINC000201950609	581274275	/nfs/dbraw/zinc/27/42/75/581274275.db2.gz	UIWQOUQENHUZTR-UHFFFAOYSA-N	-1	0	280.305	0.595	20	30		CCEDRM
CC[C@@H](NN=C(C)c1cc(C(N)=O)n(C)c1)C(=O)[O-]	ZINC000793054548	581282198	/nfs/dbraw/zinc/28/21/98/581282198.db2.gz	GSIGWYKOMTZJSY-SECBINFHSA-N	-1	0	266.301	0.301	20	30		CCEDRM
CC[C@H](NN=C(COC)C1CCOCC1)C(=O)[O-]	ZINC000793056565	581282856	/nfs/dbraw/zinc/28/28/56/581282856.db2.gz	VZZMIVUIZCVMNI-JTQLQIEISA-N	-1	0	258.318	0.868	20	30		CCEDRM
CC[C@@H](NN=Cc1cc(C(=O)OC)co1)C(=O)[O-]	ZINC000793077887	581283738	/nfs/dbraw/zinc/28/37/38/581283738.db2.gz	JFTKMEMJWQDGHA-SECBINFHSA-N	-1	0	254.242	0.853	20	30		CCEDRM
Cc1cc(C(=O)[N-]S(=O)(=O)CC(C)(C)C#N)ccn1	ZINC000793188724	581287383	/nfs/dbraw/zinc/28/73/83/581287383.db2.gz	DJXGRIGMFXFRBK-UHFFFAOYSA-N	-1	0	281.337	0.999	20	30		CCEDRM
CCOCC1(C(=O)[N-]S(=O)(=O)CC2(C#N)CC2)CC1	ZINC000793194320	581287747	/nfs/dbraw/zinc/28/77/47/581287747.db2.gz	IITVGSWIPAZVCB-UHFFFAOYSA-N	-1	0	286.353	0.553	20	30		CCEDRM
CNC(=S)NN=Cc1ccc(O[C@H](C)C(=O)[O-])cc1	ZINC000794863038	581312931	/nfs/dbraw/zinc/31/29/31/581312931.db2.gz	YOMVQKHOMRFSJL-MRVPVSSYSA-N	-1	0	281.337	0.966	20	30		CCEDRM
N#C[C@@H]1CN(C(=O)NC[C@@H]2CCCN2C(=O)[O-])CCO1	ZINC000740306718	581323232	/nfs/dbraw/zinc/32/32/32/581323232.db2.gz	KGHTZPSUPYDAPP-VHSXEESVSA-N	-1	0	282.300	0.063	20	30		CCEDRM
C#CCCN1CCN(C(=O)[C@@H](NC(=O)[O-])[C@@H](C)CC)CC1	ZINC000738456934	581330897	/nfs/dbraw/zinc/33/08/97/581330897.db2.gz	GOWUGBLPBOZMCU-STQMWFEESA-N	-1	0	295.383	0.836	20	30		CCEDRM
C[C@H]1C[C@@H](Cn2ccc(C=NO)nc2=O)CCO1	ZINC000783027095	581334326	/nfs/dbraw/zinc/33/43/26/581334326.db2.gz	SLYPDQABQMUDMA-UWVGGRQHSA-N	-1	0	251.286	0.867	20	30		CCEDRM
N#CC(C(=O)N1CCCC1)=C([O-])c1cnc2n[nH]nc2c1	ZINC000783068609	581335447	/nfs/dbraw/zinc/33/54/47/581335447.db2.gz	FCPMCJQZJUTNJF-VIFPVBQESA-N	-1	0	284.279	0.298	20	30		CCEDRM
C=C(Br)CNC(=O)[C@H]1C[C@H](O)CN1C(=O)[O-]	ZINC000738470691	581344302	/nfs/dbraw/zinc/34/43/02/581344302.db2.gz	LXFLBHMOHWPMQL-NKWVEPMBSA-N	-1	0	293.117	0.124	20	30		CCEDRM
N#Cc1nc(NC(=O)c2cscn2)[n-]c1-c1nn[nH]n1	ZINC000737706446	581352623	/nfs/dbraw/zinc/35/26/23/581352623.db2.gz	XSIGWTONVLLHGN-UHFFFAOYSA-N	-1	0	287.268	0.170	20	30		CCEDRM
C=CCOCC(=O)N1CC[C@@H](CN(C)C(=O)[O-])C1	ZINC000738491113	581360373	/nfs/dbraw/zinc/36/03/73/581360373.db2.gz	IAMJGYZLEVJSOC-JTQLQIEISA-N	-1	0	256.302	0.647	20	30		CCEDRM
C=CCNC(=O)C[N@@H+](CCC)[C@@H]1CCN(C(=O)[O-])C1	ZINC000738496003	581362606	/nfs/dbraw/zinc/36/26/06/581362606.db2.gz	TVLIIEPTSZNBBV-LLVKDONJSA-N	-1	0	269.345	0.753	20	30		CCEDRM
CNC(=O)C(C#N)=C([O-])c1cccc(C(=O)NC2CC2)c1	ZINC000784492477	581386256	/nfs/dbraw/zinc/38/62/56/581386256.db2.gz	MVBNILLKJODURR-GFCCVEGCSA-N	-1	0	285.303	0.647	20	30		CCEDRM
C[C@H](Oc1ccc(C=NN2CC(=O)NC2=O)cc1)C(=O)[O-]	ZINC000794887344	581389899	/nfs/dbraw/zinc/38/98/99/581389899.db2.gz	UMWXKNVUQRMXIS-QMMMGPOBSA-N	-1	0	291.263	0.424	20	30		CCEDRM
C=C[C@@](C)(CC)C(=O)N1CCO[C@H](c2nnn[n-]2)C1	ZINC000785411114	581408490	/nfs/dbraw/zinc/40/84/90/581408490.db2.gz	IIGFATOLBUMORP-CABZTGNLSA-N	-1	0	265.317	0.702	20	30		CCEDRM
CC[C@@](C)(C#N)C(=O)N1CCO[C@H](c2nnn[n-]2)C1	ZINC000796264210	581435436	/nfs/dbraw/zinc/43/54/36/581435436.db2.gz	JQFNMOZQOVVXRT-KWQFWETISA-N	-1	0	264.289	0.039	20	30		CCEDRM
N#Cc1cc(C(=O)[N-]S(=O)(=O)CCCF)ccn1	ZINC000796743560	581449534	/nfs/dbraw/zinc/44/95/34/581449534.db2.gz	MBXOOWGFMXPYJS-UHFFFAOYSA-N	-1	0	271.273	0.372	20	30		CCEDRM
C=C[C@](C)(CCOC)C(=O)[N-]S(=O)(=O)c1cc[nH]n1	ZINC000796877902	581453143	/nfs/dbraw/zinc/45/31/43/581453143.db2.gz	IZMPRUYNJWVKNO-LLVKDONJSA-N	-1	0	287.341	0.443	20	30		CCEDRM
CCn1cc(S(=O)(=O)[N-]C(=O)c2ccc(C#N)o2)cn1	ZINC000796954825	581456165	/nfs/dbraw/zinc/45/61/65/581456165.db2.gz	ZKGZKQUSFCWYEA-UHFFFAOYSA-N	-1	0	294.292	0.486	20	30		CCEDRM
N#CC1(CS(=O)(=O)[N-]C(=O)c2cncs2)CC1	ZINC000797059827	581458521	/nfs/dbraw/zinc/45/85/21/581458521.db2.gz	BPXDBBJNJWDXCL-UHFFFAOYSA-N	-1	0	271.323	0.506	20	30		CCEDRM
N#Cc1ccc(C(=O)[N-]S(=O)(=O)C[C@H]2CCCOC2)o1	ZINC000797248005	581462713	/nfs/dbraw/zinc/46/27/13/581462713.db2.gz	MLODUUZQFCTMBR-VIFPVBQESA-N	-1	0	298.320	0.637	20	30		CCEDRM
N#Cc1ccc(CNC(=O)Cn2cnc(C(=O)[O-])n2)cc1	ZINC000739117146	581507469	/nfs/dbraw/zinc/50/74/69/581507469.db2.gz	AIBOOJXEJNSMQZ-UHFFFAOYSA-N	-1	0	285.263	0.164	20	30		CCEDRM
C[C@@H]1CN(C(=O)C2(C#N)CCC2)CCN1C(=O)[O-]	ZINC000739120553	581507909	/nfs/dbraw/zinc/50/79/09/581507909.db2.gz	IGXANJAAKURIKQ-SECBINFHSA-N	-1	0	251.286	0.891	20	30		CCEDRM
N#Cc1ccsc1NC(=O)COC(=O)[C@@H]1C[C@H]1C(=O)[O-]	ZINC000739142592	581511101	/nfs/dbraw/zinc/51/11/01/581511101.db2.gz	QBKUALHBVFAIQT-HTQZYQBOSA-N	-1	0	294.288	0.822	20	30		CCEDRM
N#Cc1ccccc1OCCn1nc(C(=O)[O-])ccc1=O	ZINC000739147013	581511626	/nfs/dbraw/zinc/51/16/26/581511626.db2.gz	OOQIRDWHMCOJDL-UHFFFAOYSA-N	-1	0	285.259	0.892	20	30		CCEDRM
C[C@@H]1OC(C)(C)N(C(=O)[O-])[C@@H]1C(=O)N(C)CCC#N	ZINC000739196153	581521397	/nfs/dbraw/zinc/52/13/97/581521397.db2.gz	DPVHHTALJZXARE-IUCAKERBSA-N	-1	0	269.301	0.862	20	30		CCEDRM
CC(C)[C@@H](CNC(=O)C1(C#N)CCOCC1)NC(=O)[O-]	ZINC000738780461	581525052	/nfs/dbraw/zinc/52/50/52/581525052.db2.gz	ZJYVHYSEGLNSMC-SNVBAGLBSA-N	-1	0	283.328	0.715	20	30		CCEDRM
C=CCCOCC(=O)[N-]S(=O)(=O)c1cc(C)ccn1	ZINC000733866721	581527363	/nfs/dbraw/zinc/52/73/63/581527363.db2.gz	LLPRDVKOGSNKBO-UHFFFAOYSA-N	-1	0	284.337	0.788	20	30		CCEDRM
COc1ncc(C([O-])=C(C#N)C(=O)NC(C)C)cn1	ZINC000734080528	581542827	/nfs/dbraw/zinc/54/28/27/581542827.db2.gz	UWVKVCXJWQYRRK-SECBINFHSA-N	-1	0	262.269	0.332	20	30		CCEDRM
CCN(CC#N)C(=O)[C@@H](CCSC)NC(=O)[O-]	ZINC000739386342	581544623	/nfs/dbraw/zinc/54/46/23/581544623.db2.gz	ZNOULADNUZDQSZ-MRVPVSSYSA-N	-1	0	259.331	0.748	20	30		CCEDRM
Cn1cccc1C(=O)[N-]S(=O)(=O)CC1(C#N)CC1	ZINC000753945614	581566226	/nfs/dbraw/zinc/56/62/26/581566226.db2.gz	RTHGUKLENZGPRP-UHFFFAOYSA-N	-1	0	267.310	0.388	20	30		CCEDRM
O=c1cn[nH]c(=S)n1N=Cc1ccc([O-])c([N+](=O)[O-])c1	ZINC000766479454	581568606	/nfs/dbraw/zinc/56/86/06/581568606.db2.gz	YOFSWUYYMDZQLD-UHFFFAOYSA-N	-1	0	293.264	0.423	20	30		CCEDRM
C[C@@H](C#N)CN(C)C(=O)NC[C@@H]1CCCN1C(=O)[O-]	ZINC000738597300	581577132	/nfs/dbraw/zinc/57/71/32/581577132.db2.gz	QTOFGFUMGFAMMP-UWVGGRQHSA-N	-1	0	268.317	0.930	20	30		CCEDRM
CN(CC(=O)[C@H](C#N)C(=O)NC1CCCC1)C(=O)[O-]	ZINC000739617102	581581239	/nfs/dbraw/zinc/58/12/39/581581239.db2.gz	MGLBZMXXMVQDDK-VIFPVBQESA-N	-1	0	267.285	0.364	20	30		CCEDRM
CN(CC(=O)[C@H](C#N)C(=O)NC1CCCCC1)C(=O)[O-]	ZINC000739616088	581581509	/nfs/dbraw/zinc/58/15/09/581581509.db2.gz	AJYOTZWZDHDLRG-JTQLQIEISA-N	-1	0	281.312	0.754	20	30		CCEDRM
CN(C[C@H]1CCN(C(=O)C2(C#N)CCOCC2)C1)C(=O)[O-]	ZINC000739640474	581585520	/nfs/dbraw/zinc/58/55/20/581585520.db2.gz	GUVRUVHGEADVGZ-LLVKDONJSA-N	-1	0	295.339	0.765	20	30		CCEDRM
COC1(C(=O)NC[C@@H](C)C#N)CCN(C(=O)[O-])CC1	ZINC000739798970	581618174	/nfs/dbraw/zinc/61/81/74/581618174.db2.gz	MGGSIIHEVQHQIQ-VIFPVBQESA-N	-1	0	269.301	0.421	20	30		CCEDRM
C=CCOCC(=O)[N-]S(=O)(=O)c1ccc(OC)cc1	ZINC000729887467	581618512	/nfs/dbraw/zinc/61/85/12/581618512.db2.gz	WKMMXFYDRNEPDT-UHFFFAOYSA-N	-1	0	285.321	0.703	20	30		CCEDRM
CS(=O)(=O)CCNN=C1CCC(NC(=O)[O-])CC1	ZINC000739984152	581641245	/nfs/dbraw/zinc/64/12/45/581641245.db2.gz	ODUINCWLOYXADL-UHFFFAOYSA-N	-1	0	277.346	0.187	20	30		CCEDRM
CCn1cc(S(=O)(=O)[N-]c2cnn(CC#N)c2)nc1C	ZINC000768040175	581641671	/nfs/dbraw/zinc/64/16/71/581641671.db2.gz	LDSBVKXPFDEDLF-UHFFFAOYSA-N	-1	0	294.340	0.732	20	30		CCEDRM
CSCC[C@H](NC(=O)[O-])C(=O)N1CCO[C@@H](C#N)C1	ZINC000740013465	581644897	/nfs/dbraw/zinc/64/48/97/581644897.db2.gz	OUOGSPZWORLLNK-IUCAKERBSA-N	-1	0	287.341	0.127	20	30		CCEDRM
Cc1nn(C[C@H]2CCN(C(=O)[O-])C2)c(=O)c(C#N)c1C	ZINC000740254183	581652713	/nfs/dbraw/zinc/65/27/13/581652713.db2.gz	UNWQUBVGDLALRU-JTQLQIEISA-N	-1	0	276.296	0.732	20	30		CCEDRM
CNC(=O)C(C#N)=C([O-])c1ccc2c(c1)C(C)(C)C(=O)N2	ZINC000768764372	581654377	/nfs/dbraw/zinc/65/43/77/581654377.db2.gz	COQLNHXFRHWLFZ-VIFPVBQESA-N	-1	0	285.303	0.985	20	30		CCEDRM
N#CCN1CCC(NC(=O)[C@@H]2CCC[C@@H]2NC(=O)[O-])CC1	ZINC000740305528	581662423	/nfs/dbraw/zinc/66/24/23/581662423.db2.gz	NMRMFFNCORSQBA-NEPJUHHUSA-N	-1	0	294.355	0.527	20	30		CCEDRM
N#CCOc1ccc(CC(=O)NCCCNC(=O)[O-])cc1	ZINC000740305644	581663003	/nfs/dbraw/zinc/66/30/03/581663003.db2.gz	RCOQVQABRXMEOK-UHFFFAOYSA-N	-1	0	291.307	0.905	20	30		CCEDRM
N#C[C@H]1CN(C(=O)[C@H](NC(=O)[O-])c2ccccc2)CCO1	ZINC000740306138	581663021	/nfs/dbraw/zinc/66/30/21/581663021.db2.gz	CYKAYVIBNQHMNR-NWDGAFQWSA-N	-1	0	289.291	0.746	20	30		CCEDRM
N#C[C@@H]1CN(C(=O)c2csc(CNC(=O)[O-])n2)CCO1	ZINC000740307152	581663506	/nfs/dbraw/zinc/66/35/06/581663506.db2.gz	OULZLQIMMJTLDB-SSDOTTSWSA-N	-1	0	296.308	0.275	20	30		CCEDRM
N#C[C@H]1CN(C(=O)C2(NC(=O)[O-])CCCC2)CCO1	ZINC000740310718	581663996	/nfs/dbraw/zinc/66/39/96/581663996.db2.gz	WGHDOXJGMYMGAE-VIFPVBQESA-N	-1	0	267.285	0.318	20	30		CCEDRM
N#CC1(NC(=O)[C@@H]2CCN(C(=O)[O-])C2)CCOCC1	ZINC000740309931	581664027	/nfs/dbraw/zinc/66/40/27/581664027.db2.gz	PRURJFCKJAYWRK-SECBINFHSA-N	-1	0	267.285	0.175	20	30		CCEDRM
N#Cc1ccc([C@H](N[C@@H]2CCN(C(=O)[O-])C2)C(N)=O)cc1	ZINC000740312305	581664690	/nfs/dbraw/zinc/66/46/90/581664690.db2.gz	DLLMZXHYYRZYCJ-NEPJUHHUSA-N	-1	0	288.307	0.427	20	30		CCEDRM
N#Cc1ccccc1S(=O)(=O)NCCCNC(=O)[O-]	ZINC000740321900	581665315	/nfs/dbraw/zinc/66/53/15/581665315.db2.gz	KHAFULBSZXRJAC-UHFFFAOYSA-N	-1	0	283.309	0.494	20	30		CCEDRM
N#Cc1cccc(S(=O)(=O)NCCCNC(=O)[O-])c1	ZINC000740322787	581666052	/nfs/dbraw/zinc/66/60/52/581666052.db2.gz	HTNIOBIXQKKUOP-UHFFFAOYSA-N	-1	0	283.309	0.494	20	30		CCEDRM
N#Cc1ccccc1OCC(=O)N1CC[C@@H](NC(=O)[O-])C1	ZINC000740323380	581666071	/nfs/dbraw/zinc/66/60/71/581666071.db2.gz	LLZWWZIUXKWREZ-LLVKDONJSA-N	-1	0	289.291	0.806	20	30		CCEDRM
C=C(C)[C@@H](CC(=O)[N-]S(=O)(=O)[C@H]1CCOC1)OCC	ZINC000756565154	581671883	/nfs/dbraw/zinc/67/18/83/581671883.db2.gz	SRBHLAMVULHGMS-WDEREUQCSA-N	-1	0	291.369	0.593	20	30		CCEDRM
C#CCN1CCC[C@H]1C(=O)NC1CCN(C(=O)[O-])CC1	ZINC000736078646	581686211	/nfs/dbraw/zinc/68/62/11/581686211.db2.gz	CWVRDANJXIZJBV-LBPRGKRZSA-N	-1	0	279.340	0.343	20	30		CCEDRM
CNC(=O)C(C#N)=C([O-])c1ccnc(-n2cccn2)c1	ZINC000740534019	581693233	/nfs/dbraw/zinc/69/32/33/581693233.db2.gz	BCXUWLLRINTQOK-JTQLQIEISA-N	-1	0	269.264	0.336	20	30		CCEDRM
C=CCCCN(C)Cn1nc(C(=O)[O-])ccc1=O	ZINC000736102461	581696387	/nfs/dbraw/zinc/69/63/87/581696387.db2.gz	IRCOMHXUNSDLFZ-UHFFFAOYSA-N	-1	0	251.286	0.797	20	30		CCEDRM
C=CCN(CC=C)C(=O)[C@H](C)OC(=O)[C@H]1C[C@H]1C(=O)[O-]	ZINC000736108475	581698520	/nfs/dbraw/zinc/69/85/20/581698520.db2.gz	UVUJZYIKNWEEHL-AXFHLTTASA-N	-1	0	281.308	0.839	20	30		CCEDRM
C=CCOCC(=O)OCC(=O)N1CCC(C(=O)[O-])CC1	ZINC000736109649	581702938	/nfs/dbraw/zinc/70/29/38/581702938.db2.gz	VFAHNJPIMRFZKG-UHFFFAOYSA-N	-1	0	285.296	0.055	20	30		CCEDRM
N#Cc1ccc(CNN=Cc2cn(CC(=O)[O-])nn2)cc1	ZINC000769822018	581709131	/nfs/dbraw/zinc/70/91/31/581709131.db2.gz	FUUMEDDEMFFNKG-UHFFFAOYSA-N	-1	0	284.279	0.358	20	30		CCEDRM
CCn1nccc1S(=O)(=O)[N-]c1cnn(CC#N)c1	ZINC000769865125	581711622	/nfs/dbraw/zinc/71/16/22/581711622.db2.gz	LDVZDZROVJMFBO-UHFFFAOYSA-N	-1	0	280.313	0.424	20	30		CCEDRM
CC(C)C[C@H](C#N)NC(=O)Cn1[n-]cc2c(=O)ncnc1-2	ZINC000730542644	581719451	/nfs/dbraw/zinc/71/94/51/581719451.db2.gz	XXSROXIIUZAFLF-SECBINFHSA-N	-1	0	288.311	0.126	20	30		CCEDRM
COCCOCC(=O)O[C@@H](C(=O)[O-])c1ccc(C#N)cc1	ZINC000737810969	581740169	/nfs/dbraw/zinc/74/01/69/581740169.db2.gz	BMNOTONSMACRGI-CYBMUJFWSA-N	-1	0	293.275	0.890	20	30		CCEDRM
CC(C)CCO[C@@H](C)C(=O)N(CC#N)CC(=O)[O-]	ZINC000736432224	581765137	/nfs/dbraw/zinc/76/51/37/581765137.db2.gz	STKFWVMSWXTXGO-JTQLQIEISA-N	-1	0	256.302	0.874	20	30		CCEDRM
Cn1ccnc1C([O-])=C(C#N)C(=O)[C@H]1CCCOC1	ZINC000770869434	581775421	/nfs/dbraw/zinc/77/54/21/581775421.db2.gz	WMVYZAUCHMJJRO-VHSXEESVSA-N	-1	0	261.281	0.738	20	30		CCEDRM
Cn1ccc(C([O-])=C(C#N)C(=O)c2nccn2C)c1	ZINC000770876479	581776137	/nfs/dbraw/zinc/77/61/37/581776137.db2.gz	LVOLKZKEIITHKK-SNVBAGLBSA-N	-1	0	256.265	0.964	20	30		CCEDRM
N#Cc1cccc(C(=O)N2CCO[C@H](c3nnn[n-]3)C2)c1	ZINC000731854138	581783082	/nfs/dbraw/zinc/78/30/82/581783082.db2.gz	SRFJNDFPRDFFGE-NSHDSACASA-N	-1	0	284.279	0.285	20	30		CCEDRM
C[C@@H]1C[C@H]1C(=O)[N-]S(=O)(=O)CC1(C#N)CCC1	ZINC000771077400	581789685	/nfs/dbraw/zinc/78/96/85/581789685.db2.gz	PARKHMXGEHCLRJ-RKDXNWHRSA-N	-1	0	256.327	0.782	20	30		CCEDRM
CCC1(C(=O)[N-]S(=O)(=O)CC2(C#N)CCC2)COC1	ZINC000771080270	581790216	/nfs/dbraw/zinc/79/02/16/581790216.db2.gz	QFHIFTWTXFXKTN-UHFFFAOYSA-N	-1	0	286.353	0.553	20	30		CCEDRM
N#CC1(CS(=O)(=O)[N-]C(=O)C2CCOCC2)CCC1	ZINC000771079511	581790407	/nfs/dbraw/zinc/79/04/07/581790407.db2.gz	MIWWQIUHYWMPET-UHFFFAOYSA-N	-1	0	286.353	0.553	20	30		CCEDRM
C[C@](NS(=O)(=O)CCCCC#N)(C(=O)[O-])C1CC1	ZINC000736664683	581813512	/nfs/dbraw/zinc/81/35/12/581813512.db2.gz	QPSCLCWAOJAFCM-LLVKDONJSA-N	-1	0	274.342	0.853	20	30		CCEDRM
N#Cc1ccc([O-])c(NC(=O)[C@@H]2CCCN(C(N)=O)C2)c1	ZINC000759714368	581817234	/nfs/dbraw/zinc/81/72/34/581817234.db2.gz	YGQRMNHAPWZKKJ-SNVBAGLBSA-N	-1	0	288.307	0.993	20	30		CCEDRM
CC(C)(CC(=O)N1CCO[C@H](C#N)C1)NC(=O)[O-]	ZINC000738733001	581828777	/nfs/dbraw/zinc/82/87/77/581828777.db2.gz	OLKWEIGEWTTWSD-MRVPVSSYSA-N	-1	0	255.274	0.174	20	30		CCEDRM
N#CCC1(COC(=O)Cn2[n-]cc3c(=O)ncnc2-3)CC1	ZINC000744278389	581837754	/nfs/dbraw/zinc/83/77/54/581837754.db2.gz	CFPLDHUGDJKTTJ-UHFFFAOYSA-N	-1	0	287.279	0.308	20	30		CCEDRM
CC(C)[C@](C)(C#N)NC(=O)CN1CC[C@H](CNC(=O)[O-])C1	ZINC000738761635	581856037	/nfs/dbraw/zinc/85/60/37/581856037.db2.gz	AHXFSCMSDHJQCK-RISCZKNCSA-N	-1	0	296.371	0.630	20	30		CCEDRM
C=CCS(=O)(=O)[N-]C(=O)Cc1cccc(OC)c1	ZINC000772713038	581884842	/nfs/dbraw/zinc/88/48/42/581884842.db2.gz	NEXXTCFSFVXFMC-UHFFFAOYSA-N	-1	0	269.322	0.870	20	30		CCEDRM
C=CCS(=O)(=O)[N-]C(=O)C(C)(C)C(=O)OCC	ZINC000772711432	581884882	/nfs/dbraw/zinc/88/48/82/581884882.db2.gz	ZIGWNRPNNAXRQA-UHFFFAOYSA-N	-1	0	263.315	0.208	20	30		CCEDRM
C=CCS(=O)(=O)[N-]C(=O)CNC(=O)Nc1ccccc1	ZINC000772712300	581885469	/nfs/dbraw/zinc/88/54/69/581885469.db2.gz	CGGXIIWBIKWHOH-UHFFFAOYSA-N	-1	0	297.336	0.440	20	30		CCEDRM
C=CCS(=O)(=O)[N-]C(=O)[C@H](C)OC[C@H]1CCCO1	ZINC000772712947	581885574	/nfs/dbraw/zinc/88/55/74/581885574.db2.gz	GFBWQCYIPLCACR-VHSXEESVSA-N	-1	0	277.342	0.203	20	30		CCEDRM
C=CCS(=O)(=O)[N-]C(=O)[C@H](C)Oc1ccc(C#N)cc1	ZINC000772722792	581886797	/nfs/dbraw/zinc/88/67/97/581886797.db2.gz	FDEWBEZPIOEFAT-JTQLQIEISA-N	-1	0	294.332	0.958	20	30		CCEDRM
C=CCCO[C@@H](C)C(=O)NCCc1n[n-]c(=S)o1	ZINC000773108207	581909045	/nfs/dbraw/zinc/90/90/45/581909045.db2.gz	ZCYWXXYFYDVORR-QMMMGPOBSA-N	-1	0	271.342	0.998	20	30		CCEDRM
COc1cc(F)ccc1NN=Cc1cn(CC(=O)[O-])nn1	ZINC000761884288	581925095	/nfs/dbraw/zinc/92/50/95/581925095.db2.gz	CVMAUNLFVAMHQW-UHFFFAOYSA-N	-1	0	293.258	0.956	20	30		CCEDRM
C=CCN(CC(=O)[O-])C(=O)CCCC(=O)NCCC	ZINC000762052973	581930008	/nfs/dbraw/zinc/93/00/08/581930008.db2.gz	PVSGGRBNHLPRJK-UHFFFAOYSA-N	-1	0	270.329	0.782	20	30		CCEDRM
C#Cc1ccc(C(=O)N2CCCN(C(=O)[O-])CC2)nc1	ZINC000737496543	581965332	/nfs/dbraw/zinc/96/53/32/581965332.db2.gz	ZLPBSZJKMGVEFV-UHFFFAOYSA-N	-1	0	273.292	0.889	20	30		CCEDRM
O=C1Nc2c(cc([N+](=O)[O-])cc2F)C1=NN1CCOCC1	ZINC000774309709	581969808	/nfs/dbraw/zinc/96/98/08/581969808.db2.gz	IUVPOYRAQFPCDY-UHFFFAOYSA-N	-1	0	294.242	0.722	20	30		CCEDRM
CC(CS(C)(=O)=O)N=Nc1ccc(C(=O)[O-])cn1	ZINC000763377237	581996094	/nfs/dbraw/zinc/99/60/94/581996094.db2.gz	MXKCUTLKBKEKRD-UHFFFAOYSA-N	-1	0	271.298	0.612	20	30		CCEDRM
CON=Cc1ccc(C(=O)N2CCO[C@H](C(=O)[O-])C2)cc1	ZINC000737839794	582001943	/nfs/dbraw/zinc/00/19/43/582001943.db2.gz	NJTHLUMVYUVJGR-LBPRGKRZSA-N	-1	0	292.291	0.593	20	30		CCEDRM
C[C@@H](C#N)NC(=O)c1ccc2c(c1)[n-]c(=S)n(C)c2=O	ZINC000749588201	582013870	/nfs/dbraw/zinc/01/38/70/582013870.db2.gz	IGTJZLYWMYFYGK-ZETCQYMHSA-N	-1	0	288.332	0.864	20	30		CCEDRM
C=CCOc1cccnc1C(=O)[N-]S(=O)(=O)CC	ZINC000775240078	582015998	/nfs/dbraw/zinc/01/59/98/582015998.db2.gz	KBLQCKMELNUGAW-UHFFFAOYSA-N	-1	0	270.310	0.726	20	30		CCEDRM
COc1ccc(O[C@H](C)C(=O)N(CC#N)CC(=O)[O-])cc1	ZINC000738045125	582018410	/nfs/dbraw/zinc/01/84/10/582018410.db2.gz	XXDYTTFIEZYGHB-SNVBAGLBSA-N	-1	0	292.291	0.899	20	30		CCEDRM
Cc1cn2ccnc(C([O-])=C(C#N)C(=O)NC3CC3)c2n1	ZINC000763931626	582021217	/nfs/dbraw/zinc/02/12/17/582021217.db2.gz	QHQNWQVMZDDIHF-SNVBAGLBSA-N	-1	0	283.291	0.639	20	30		CCEDRM
COc1cccc(CC(=O)N(CC#N)CC(=O)[O-])c1	ZINC000738096559	582022473	/nfs/dbraw/zinc/02/24/73/582022473.db2.gz	PUSJTWHMIXMEDO-UHFFFAOYSA-N	-1	0	262.265	0.674	20	30		CCEDRM
C[C@@H](CO)NN=Cc1cccc(O[C@@H](C)C(=O)[O-])c1	ZINC000749815067	582023204	/nfs/dbraw/zinc/02/32/04/582023204.db2.gz	FHKDCOBMGYQCDZ-UWVGGRQHSA-N	-1	0	266.297	0.843	20	30		CCEDRM
N#Cc1ccc(CCC(=O)N2CCO[C@H](C(=O)[O-])C2)cc1	ZINC000738432270	582048990	/nfs/dbraw/zinc/04/89/90/582048990.db2.gz	GGQGMRRQSHQJOO-ZDUSSCGKSA-N	-1	0	288.303	0.803	20	30		CCEDRM
N#Cc1cnccc1NC(=O)[C@@H]1CCCN(C(=O)[O-])C1	ZINC000738434900	582049030	/nfs/dbraw/zinc/04/90/30/582049030.db2.gz	GIBSAWBZGXMNMV-SECBINFHSA-N	-1	0	274.280	0.704	20	30		CCEDRM
CC[C@@H]1CC[C@@H](C(=O)[N-]S(=O)(=O)CCCC#N)O1	ZINC000776122988	582052782	/nfs/dbraw/zinc/05/27/82/582052782.db2.gz	VXGCDXFOVIHFOA-ZJUUUORDSA-N	-1	0	274.342	0.694	20	30		CCEDRM
CC(C)OCCC(=O)[N-]S(=O)(=O)CC(C)(C)C#N	ZINC000776136182	582053414	/nfs/dbraw/zinc/05/34/14/582053414.db2.gz	KBQJKTVUOILAQP-UHFFFAOYSA-N	-1	0	276.358	0.797	20	30		CCEDRM
CCOCCC(=O)[N-]S(=O)(=O)CC(C)(C)C#N	ZINC000776135124	582053507	/nfs/dbraw/zinc/05/35/07/582053507.db2.gz	BFWCDQFMLKAEJO-UHFFFAOYSA-N	-1	0	262.331	0.409	20	30		CCEDRM
C#CCNC(=O)NCC1(NC(=O)[O-])CCCCC1	ZINC000738463557	582053845	/nfs/dbraw/zinc/05/38/45/582053845.db2.gz	VSEBFSTWRKTESJ-UHFFFAOYSA-N	-1	0	253.302	0.889	20	30		CCEDRM
C#CCSCCNC(=O)CC(C)(C)NC(=O)[O-]	ZINC000738468950	582054229	/nfs/dbraw/zinc/05/42/29/582054229.db2.gz	CJWQKXGJXPOXOX-UHFFFAOYSA-N	-1	0	258.343	0.905	20	30		CCEDRM
C#CCSCCNC(=O)N1CCN(C(=O)[O-])C[C@H]1C	ZINC000738470953	582054243	/nfs/dbraw/zinc/05/42/43/582054243.db2.gz	UIRREXWHEUOALB-SNVBAGLBSA-N	-1	0	285.369	0.747	20	30		CCEDRM
C#CCSCCNC(=O)NC[C@H]1CCCN1C(=O)[O-]	ZINC000738469790	582054364	/nfs/dbraw/zinc/05/43/64/582054364.db2.gz	GOPZNIXRXCKUMT-SNVBAGLBSA-N	-1	0	285.369	0.794	20	30		CCEDRM
COc1cccc(C(=O)[N-]S(=O)(=O)CC(C)(C)C#N)n1	ZINC000776144086	582054597	/nfs/dbraw/zinc/05/45/97/582054597.db2.gz	LNINMPCDTLIKLM-UHFFFAOYSA-N	-1	0	297.336	0.700	20	30		CCEDRM
C=CCOCC(=O)N1CCC[C@@H](N(C)C(=O)[O-])C1	ZINC000738490509	582055636	/nfs/dbraw/zinc/05/56/36/582055636.db2.gz	BLSRWYGJWJCNIR-SNVBAGLBSA-N	-1	0	256.302	0.790	20	30		CCEDRM
C=CCNC(=O)c1ccc(NCCNC(=O)[O-])nc1	ZINC000738495333	582055935	/nfs/dbraw/zinc/05/59/35/582055935.db2.gz	LAHCRFUTDNFKLS-UHFFFAOYSA-N	-1	0	264.285	0.677	20	30		CCEDRM
C=CCNC(=O)c1ccc(N2CC[C@H](NC(=O)[O-])C2)nc1	ZINC000738494963	582056045	/nfs/dbraw/zinc/05/60/45/582056045.db2.gz	GZEOBXSJJIXJOQ-NSHDSACASA-N	-1	0	290.323	0.844	20	30		CCEDRM
C=CCSCCNC(=O)NCCN(C)C(=O)[O-]	ZINC000738506104	582057122	/nfs/dbraw/zinc/05/71/22/582057122.db2.gz	YSVOYBIAHJCUKA-UHFFFAOYSA-N	-1	0	261.347	0.815	20	30		CCEDRM
C[C@@H](C#N)OC(=O)C(C)(C)N1CCN(C(=O)[O-])CC1	ZINC000738602532	582065067	/nfs/dbraw/zinc/06/50/67/582065067.db2.gz	MVIULZNBUUOUAP-VIFPVBQESA-N	-1	0	269.301	0.516	20	30		CCEDRM
CC(C)(C#N)CS(=O)(=O)[N-]C(=O)[C@H]1C[C@]12CCOC2	ZINC000764791456	582069101	/nfs/dbraw/zinc/06/91/01/582069101.db2.gz	VQGWQKOKPRFNHN-SKDRFNHKSA-N	-1	0	286.353	0.409	20	30		CCEDRM
N#CCCCS(=O)(=O)[N-]C(=O)[C@@H]1C[C@]12CCOC2	ZINC000764791892	582069222	/nfs/dbraw/zinc/06/92/22/582069222.db2.gz	WWEJGOWVJWPQEA-ONGXEEELSA-N	-1	0	272.326	0.163	20	30		CCEDRM
CC(C)[C@@H](C#N)N1CCN(C(=O)[C@H](C)NC(=O)[O-])CC1	ZINC000738761549	582074458	/nfs/dbraw/zinc/07/44/58/582074458.db2.gz	KEZTXKSWPFBMQC-WDEREUQCSA-N	-1	0	282.344	0.335	20	30		CCEDRM
N#C[C@]1(NC(=O)CCSCC(=O)[O-])CCSC1	ZINC000739066550	582100588	/nfs/dbraw/zinc/10/05/88/582100588.db2.gz	OMMLMBDOYGSQJM-SNVBAGLBSA-N	-1	0	274.367	0.710	20	30		CCEDRM
N#C[C@@H](C(=O)CCNC(=O)[O-])C(=O)Nc1ccccc1	ZINC000739076068	582101164	/nfs/dbraw/zinc/10/11/64/582101164.db2.gz	YFZFHZNFSUUQSY-JTQLQIEISA-N	-1	0	275.264	0.992	20	30		CCEDRM
N#CCN(CC(=O)[O-])C(=O)C[C@H]1OC(=O)c2ccccc21	ZINC000739077171	582101404	/nfs/dbraw/zinc/10/14/04/582101404.db2.gz	JUMMTRQUMOMUQX-LLVKDONJSA-N	-1	0	288.259	0.725	20	30		CCEDRM
N#CCN(CC(=O)[O-])C(=O)CC[C@@H]1CCCCO1	ZINC000739077100	582101536	/nfs/dbraw/zinc/10/15/36/582101536.db2.gz	HOZJDGSORTZZKB-JTQLQIEISA-N	-1	0	254.286	0.772	20	30		CCEDRM
N#CCN(CC(=O)[O-])C(=O)CCNC(=O)C1CCCCC1	ZINC000739077423	582101556	/nfs/dbraw/zinc/10/15/56/582101556.db2.gz	OLJZQWMSHBGESG-UHFFFAOYSA-N	-1	0	295.339	0.510	20	30		CCEDRM
N#CCNC(=O)COC(=O)CCc1ccc(C(=O)[O-])cc1	ZINC000739085074	582101843	/nfs/dbraw/zinc/10/18/43/582101843.db2.gz	BTGWQKXNGDYSRF-UHFFFAOYSA-N	-1	0	290.275	0.500	20	30		CCEDRM
N#CCN(CC(=O)[O-])C(=O)c1ccc2c(c1)OCC(=O)N2	ZINC000739087495	582102072	/nfs/dbraw/zinc/10/20/72/582102072.db2.gz	MRQWEHZDEKJRDM-UHFFFAOYSA-N	-1	0	289.247	0.068	20	30		CCEDRM
C=C(C)CS(=O)(=O)N1CC[C@H]2[C@@H](C(=O)[O-])[C@H]2C1	ZINC000871775028	613354018	/nfs/dbraw/zinc/35/40/18/613354018.db2.gz	DXPLYJJTMLUDHT-KXUCPTDWSA-N	-1	0	259.327	0.545	20	30		CCEDRM
C#CCCCNC(=O)N(CCC)[C@H](COC)C(=O)[O-]	ZINC000909027492	612981173	/nfs/dbraw/zinc/98/11/73/612981173.db2.gz	LMNCWTYXMXLCCE-LLVKDONJSA-N	-1	0	270.329	0.921	20	30		CCEDRM
N#Cc1cccnc1NCCNC(=O)NCCCC(=O)[O-]	ZINC000819111235	597287837	/nfs/dbraw/zinc/28/78/37/597287837.db2.gz	OTCQYOHGMTUUIR-UHFFFAOYSA-N	-1	0	291.311	0.529	20	30		CCEDRM
N#C[C@@H]1CN(C(=O)NCc2ccc(C(=O)[O-])cc2)CCO1	ZINC000093937391	597299539	/nfs/dbraw/zinc/29/95/39/597299539.db2.gz	TVGLTMBRTYEWCX-GFCCVEGCSA-N	-1	0	289.291	0.819	20	30		CCEDRM
C#CCOCCNC(=O)N1CC[C@@H](C)[C@H](C(=O)[O-])C1	ZINC000831039468	612986404	/nfs/dbraw/zinc/98/64/04/612986404.db2.gz	YYPAJMARQRZJPS-GHMZBOCLSA-N	-1	0	268.313	0.388	20	30		CCEDRM
C[C@H](NC(=O)Cc1cccc(OCC#N)c1)C(=O)[O-]	ZINC000820121847	597454759	/nfs/dbraw/zinc/45/47/59/597454759.db2.gz	DKNIKRRLWILYHF-VIFPVBQESA-N	-1	0	262.265	0.721	20	30		CCEDRM
C[C@H](C(=O)[O-])N(C)CC(=O)N[C@@](C)(C#N)C1CC1	ZINC000817772224	597471541	/nfs/dbraw/zinc/47/15/41/597471541.db2.gz	MOVMAKQYDJDCQX-PELKAZGASA-N	-1	0	253.302	0.200	20	30		CCEDRM
C[C@H](C(=O)[O-])N(C)CC(=O)Nc1sccc1C#N	ZINC000054070656	597474441	/nfs/dbraw/zinc/47/44/41/597474441.db2.gz	RLCAUBJQAHCIFB-SSDOTTSWSA-N	-1	0	267.310	0.963	20	30		CCEDRM
COc1ccc(C#N)cc1NC(=O)C(=O)N[C@@H](C)C(=O)[O-]	ZINC000818576599	597519268	/nfs/dbraw/zinc/51/92/68/597519268.db2.gz	OLUJDEJKTWLZPA-ZETCQYMHSA-N	-1	0	291.263	0.095	20	30		CCEDRM
CN(C)c1ncc(NC(=O)[C@@](C)(C#N)CC(=O)[O-])cn1	ZINC000820554104	597603751	/nfs/dbraw/zinc/60/37/51/597603751.db2.gz	DLESRZQTZVVZHG-GFCCVEGCSA-N	-1	0	277.284	0.486	20	30		CCEDRM
C[C@@](C#N)(CC(=O)[O-])C(=O)OCC[C@H]1CCOC1=O	ZINC000819865425	597622882	/nfs/dbraw/zinc/62/28/82/597622882.db2.gz	LDEJUWQWWOTEJS-PELKAZGASA-N	-1	0	269.253	0.487	20	30		CCEDRM
C[C@H](CNC(=O)[C@@](C)(C#N)CC(=O)[O-])CN1CCOCC1	ZINC000820095964	597648685	/nfs/dbraw/zinc/64/86/85/597648685.db2.gz	XRVFQYGFTMRSHY-BXUZGUMPSA-N	-1	0	297.355	0.075	20	30		CCEDRM
O=C([O-])CCNN=Cc1cccc2c1OCCO2	ZINC000821524466	597742528	/nfs/dbraw/zinc/74/25/28/597742528.db2.gz	JWGLVMRKHNJQGI-UHFFFAOYSA-N	-1	0	250.254	0.856	20	30		CCEDRM
O=C([O-])CCNN=C1CCOc2cc3c(cc21)OCO3	ZINC000821524863	597743888	/nfs/dbraw/zinc/74/38/88/597743888.db2.gz	IDJDJEVJQHXZMU-UHFFFAOYSA-N	-1	0	278.264	0.966	20	30		CCEDRM
N#Cc1ccc(Cl)cc1OCC(=O)NCC(=O)[O-]	ZINC000821336122	597758098	/nfs/dbraw/zinc/75/80/98/597758098.db2.gz	LWLOODMICREROY-UHFFFAOYSA-N	-1	0	268.656	0.791	20	30		CCEDRM
N#Cc1ccc(-c2ccn(CC(=O)NCC(=O)[O-])n2)cc1	ZINC000821330147	597761701	/nfs/dbraw/zinc/76/17/01/597761701.db2.gz	WHYUSMDMRCAOTJ-UHFFFAOYSA-N	-1	0	284.275	0.623	20	30		CCEDRM
C#CCOCCNC(=O)c1cc([O-])ccc1[N+](=O)[O-]	ZINC000803103097	612988706	/nfs/dbraw/zinc/98/87/06/612988706.db2.gz	QBXDGGTUWCEDIX-UHFFFAOYSA-N	-1	0	264.237	0.680	20	30		CCEDRM
C[C@H](NC(=O)[C@](C)(C#N)CC(=O)[O-])[C@@H]1CCCO1	ZINC000820113796	598223595	/nfs/dbraw/zinc/22/35/95/598223595.db2.gz	GRNBATUIVRRGPU-AUTRQRHGSA-N	-1	0	254.286	0.675	20	30		CCEDRM
C[C@@](C#N)(CC(=O)[O-])C(=O)NC[C@@H]1CCCCO1	ZINC000819833445	598225227	/nfs/dbraw/zinc/22/52/27/598225227.db2.gz	HBDGLEVHUWDJOK-CABZTGNLSA-N	-1	0	254.286	0.676	20	30		CCEDRM
C[C@@](C#N)(CC(=O)[O-])C(=O)N1CCN2CCCC[C@@H]2C1	ZINC000819821025	598225405	/nfs/dbraw/zinc/22/54/05/598225405.db2.gz	CBKUHCVQOPLGON-RISCZKNCSA-N	-1	0	279.340	0.688	20	30		CCEDRM
C[C@](C#N)(CC(=O)[O-])C(=O)N1CCN2CCCC[C@@H]2C1	ZINC000819821020	598225421	/nfs/dbraw/zinc/22/54/21/598225421.db2.gz	CBKUHCVQOPLGON-BXUZGUMPSA-N	-1	0	279.340	0.688	20	30		CCEDRM
Cc1noc(C)c1CCNC(=O)[C@](C)(C#N)CC(=O)[O-]	ZINC000821235271	598227100	/nfs/dbraw/zinc/22/71/00/598227100.db2.gz	CPBRWYQMOOGCPB-ZDUSSCGKSA-N	-1	0	279.296	0.955	20	30		CCEDRM
C[C@@](C#N)(CC(=O)[O-])C(=O)N[C@@H]1CCCn2ncnc21	ZINC000819823286	598229705	/nfs/dbraw/zinc/22/97/05/598229705.db2.gz	SPIFWAOZXWHCKF-PELKAZGASA-N	-1	0	277.284	0.234	20	30		CCEDRM
C[C@@](C#N)(CC(=O)[O-])C(=O)NCCCO[C@H]1CCOC1	ZINC000819834861	598230016	/nfs/dbraw/zinc/23/00/16/598230016.db2.gz	POXYSYHFYMOPMV-GWCFXTLKSA-N	-1	0	284.312	0.303	20	30		CCEDRM
C#CCOCCOC(=O)[C@@H]1CSCN1C(=O)[O-]	ZINC000823463412	612990701	/nfs/dbraw/zinc/99/07/01/612990701.db2.gz	PADNODNJELICAW-QMMMGPOBSA-N	-1	0	259.283	0.232	20	30		CCEDRM
C#CCO[N-]C(=O)[C@@]1(C)C[C@H](O)CN1C(=O)OC(C)(C)C	ZINC000912450378	612992727	/nfs/dbraw/zinc/99/27/27/612992727.db2.gz	PXFCDYRWHOAJPA-IINYFYTJSA-N	-1	0	298.339	0.428	20	30		CCEDRM
C[C@H](C(=O)Nc1nc(C#N)c(-c2nn[nH]n2)[n-]1)c1ccco1	ZINC000819877470	599312623	/nfs/dbraw/zinc/31/26/23/599312623.db2.gz	WHWQNRLJXJJNRK-LURJTMIESA-N	-1	0	298.266	0.797	20	30		CCEDRM
N#Cc1nc(NC(=O)CC2CCC2)[n-]c1-c1nn[nH]n1	ZINC000822815726	599315151	/nfs/dbraw/zinc/31/51/51/599315151.db2.gz	ZAVBGLPIAXOELX-UHFFFAOYSA-N	-1	0	272.272	0.590	20	30		CCEDRM
N#CCN(CC(=O)[O-])C[C@H](O)c1ccccc1F	ZINC000833067032	601226971	/nfs/dbraw/zinc/22/69/71/601226971.db2.gz	NYTQXEWCSZMHNW-NSHDSACASA-N	-1	0	252.245	0.769	20	30		CCEDRM
N#Cc1cccc(CNC(=O)Cn2cc(C(=O)[O-])nn2)c1	ZINC000090717034	599768665	/nfs/dbraw/zinc/76/86/65/599768665.db2.gz	YQUFZFAOYISIKM-UHFFFAOYSA-N	-1	0	285.263	0.164	20	30		CCEDRM
C#CCCN1CCN(C(=O)C2(C(=O)[O-])CCCC2)CC1	ZINC000911252439	613008939	/nfs/dbraw/zinc/00/89/39/613008939.db2.gz	NQZWTEGLDGEVFF-UHFFFAOYSA-N	-1	0	278.352	0.799	20	30		CCEDRM
N#Cc1ccccc1CN1CCNC(=O)[C@H]1CC(=O)[O-]	ZINC000071246483	599982809	/nfs/dbraw/zinc/98/28/09/599982809.db2.gz	NGSOZVIAXFXWRH-GFCCVEGCSA-N	-1	0	273.292	0.333	20	30		CCEDRM
O=C([O-])c1ccc(Cn2ccc(C=NO)nc2=O)o1	ZINC000740140579	600207641	/nfs/dbraw/zinc/20/76/41/600207641.db2.gz	LKLTUQFIPSOLBI-UHFFFAOYSA-N	-1	0	263.209	0.391	20	30		CCEDRM
C#CCCNS(=O)(=O)c1ccc(C(=O)[O-])s1	ZINC000069769010	600652227	/nfs/dbraw/zinc/65/22/27/600652227.db2.gz	QQFUFKHSBJCJJP-UHFFFAOYSA-N	-1	0	259.308	0.748	20	30		CCEDRM
N#CCN(CC(=O)[O-])Cc1cc(=O)n2ccsc2n1	ZINC000833067646	601003888	/nfs/dbraw/zinc/00/38/88/601003888.db2.gz	WWSKUWFTYJJTGN-UHFFFAOYSA-N	-1	0	278.293	0.166	20	30		CCEDRM
N#CCN(CC(=O)[O-])CC(=O)Nc1cccc(C#N)c1	ZINC000833067254	601004558	/nfs/dbraw/zinc/00/45/58/601004558.db2.gz	RTUVSGUCOCXBQI-UHFFFAOYSA-N	-1	0	272.264	0.407	20	30		CCEDRM
N#Cc1cc(F)ccc1NC(=O)C(=O)NCCCC(=O)[O-]	ZINC000819095738	601362155	/nfs/dbraw/zinc/36/21/55/601362155.db2.gz	JBJCKYTYPLQULY-UHFFFAOYSA-N	-1	0	293.254	0.617	20	30		CCEDRM
N#CCNC(=O)CNc1ccc(CNC(=O)[O-])cc1	ZINC000833066764	601391711	/nfs/dbraw/zinc/39/17/11/601391711.db2.gz	HCLVMAANNDYTAN-UHFFFAOYSA-N	-1	0	262.269	0.506	20	30		CCEDRM
N#CCC[C@@H](C#N)CN1CCO[C@@H](CC(=O)[O-])C1	ZINC000833063191	601458019	/nfs/dbraw/zinc/45/80/19/601458019.db2.gz	UAJGNSXDCUUIGD-QWRGUYRKSA-N	-1	0	251.286	0.605	20	30		CCEDRM
N#CCC[C@H](C#N)CN1CCO[C@H](CC(=O)[O-])C1	ZINC000833063186	601458088	/nfs/dbraw/zinc/45/80/88/601458088.db2.gz	UAJGNSXDCUUIGD-GHMZBOCLSA-N	-1	0	251.286	0.605	20	30		CCEDRM
N#C[C@@H]1CCC[C@H]1NS(=O)(=O)c1ccc(C(=O)[O-])o1	ZINC000061890056	601476660	/nfs/dbraw/zinc/47/66/60/601476660.db2.gz	URSJOFUFHJGBJV-JGVFFNPUSA-N	-1	0	284.293	0.948	20	30		CCEDRM
N#Cc1ccc(C(=O)N[C@H](CC(=O)[O-])C2CC2)nc1	ZINC000135249559	601521506	/nfs/dbraw/zinc/52/15/06/601521506.db2.gz	WIOWWFGIRFNOGF-LLVKDONJSA-N	-1	0	259.265	0.936	20	30		CCEDRM
N#CCNC(=O)CN1CCc2ccccc2[C@@H]1C(=O)[O-]	ZINC000043594145	601547243	/nfs/dbraw/zinc/54/72/43/601547243.db2.gz	LYHFSLWGBZOMJJ-CYBMUJFWSA-N	-1	0	273.292	0.310	20	30		CCEDRM
C[C@H]1CN(S(=O)(=O)CCCCC#N)C[C@H]1C(=O)[O-]	ZINC000828472238	601588748	/nfs/dbraw/zinc/58/87/48/601588748.db2.gz	PMJVTQPOFBPREA-VHSXEESVSA-N	-1	0	274.342	0.663	20	30		CCEDRM
N#Cc1ccc(C(=O)N2CCO[C@H](CC(=O)[O-])C2)nc1	ZINC000091292508	601668981	/nfs/dbraw/zinc/66/89/81/601668981.db2.gz	PEIFLAQKIBSCJZ-SNVBAGLBSA-N	-1	0	275.264	0.269	20	30		CCEDRM
N#CCN(CC(=O)[O-])C(=O)c1c(F)cc(C#N)cc1F	ZINC000833065834	601680091	/nfs/dbraw/zinc/68/00/91/601680091.db2.gz	ISKHKJPHWWAZKH-UHFFFAOYSA-N	-1	0	279.202	0.887	20	30		CCEDRM
CC1N=NC(=S)N1N=Cc1c[nH]c(C(=O)[O-])c1	ZINC000814723558	601796133	/nfs/dbraw/zinc/79/61/33/601796133.db2.gz	IDBBKSBYGOJIGY-UHFFFAOYSA-N	-1	0	251.271	0.784	20	30		CCEDRM
C=C[C@H](C)NS(=O)(=O)c1cc(C(=O)[O-])n(C)c1	ZINC000159720109	601805886	/nfs/dbraw/zinc/80/58/86/601805886.db2.gz	NBAUCDPSXNSMMK-ZETCQYMHSA-N	-1	0	258.299	0.576	20	30		CCEDRM
C[C@]1(C(=O)[O-])CCN(C(=O)c2ccc(C#N)cn2)C1	ZINC000111280972	602018250	/nfs/dbraw/zinc/01/82/50/602018250.db2.gz	SRVLYWNKAVKTKQ-ZDUSSCGKSA-N	-1	0	259.265	0.890	20	30		CCEDRM
C#CCSCCNC(=O)N1C[C@@H]2COC[C@]2(C(=O)[O-])C1	ZINC000851649933	613016592	/nfs/dbraw/zinc/01/65/92/613016592.db2.gz	ZKNIEJQCMGYWNT-ZWNOBZJWSA-N	-1	0	298.364	0.095	20	30		CCEDRM
N#Cc1cc(CN2CCO[C@H](C(=O)[O-])C2)ccc1F	ZINC000236440006	602235078	/nfs/dbraw/zinc/23/50/78/602235078.db2.gz	XHEOFOMVUZKVAG-LBPRGKRZSA-N	-1	0	264.256	0.983	20	30		CCEDRM
N#Cc1cc(CN2CCOC[C@H]2C(=O)[O-])ccc1F	ZINC000236452959	602237594	/nfs/dbraw/zinc/23/75/94/602237594.db2.gz	MWJCQMNRZNKWIH-LBPRGKRZSA-N	-1	0	264.256	0.983	20	30		CCEDRM
C=C(C)COCCNC(=O)N1C[C@H](C)[C@H](C(=O)[O-])C1	ZINC000164129708	602346433	/nfs/dbraw/zinc/34/64/33/602346433.db2.gz	CVEOZQWQDWQPCF-WDEREUQCSA-N	-1	0	270.329	0.941	20	30		CCEDRM
C#CC1(NC(=O)C[C@]2(C(=O)[O-])CCOC2)CCCC1	ZINC000887316034	612949635	/nfs/dbraw/zinc/94/96/35/612949635.db2.gz	IRCPKYKXRVWRPN-CYBMUJFWSA-N	-1	0	265.309	0.930	20	30		CCEDRM
C[C@@H](CC#N)NC(=O)CN(C[C@H]1CCCO1)C(=O)[O-]	ZINC000738895644	602869939	/nfs/dbraw/zinc/86/99/39/602869939.db2.gz	XYDPDQRFVQKVLT-VHSXEESVSA-N	-1	0	269.301	0.564	20	30		CCEDRM
CCC[C@H](C#N)NC(=O)CN(C[C@@H]1CCCO1)C(=O)[O-]	ZINC000739281647	602875263	/nfs/dbraw/zinc/87/52/63/602875263.db2.gz	AJHZVBNCDNUIHX-MNOVXSKESA-N	-1	0	283.328	0.954	20	30		CCEDRM
N#Cc1ccc(F)c(CNC(=O)COCCNC(=O)[O-])c1	ZINC000831132344	603021104	/nfs/dbraw/zinc/02/11/04/603021104.db2.gz	VCZSLPUUNKZFQY-UHFFFAOYSA-N	-1	0	295.270	0.598	20	30		CCEDRM
C[C@H](C#N)CN(C)C(=O)CN(CC1CC1)C(=O)[O-]	ZINC000823646698	603388858	/nfs/dbraw/zinc/38/88/58/603388858.db2.gz	FWCKETZYUFPQSM-SECBINFHSA-N	-1	0	253.302	0.994	20	30		CCEDRM
N#C[C@H]1CN(C(=O)[O-])CCN1C(=O)c1ccncc1	ZINC000831092342	603590005	/nfs/dbraw/zinc/59/00/05/603590005.db2.gz	ULUIBZLMDJBNMD-JTQLQIEISA-N	-1	0	260.253	0.410	20	30		CCEDRM
Cc1ccc(C(=O)N2CCN(C(=O)[O-])C[C@@H]2C#N)cn1	ZINC000830192765	603592261	/nfs/dbraw/zinc/59/22/61/603592261.db2.gz	OOGMOBZIEUIBEW-NSHDSACASA-N	-1	0	274.280	0.718	20	30		CCEDRM
Cc1nn(C)cc1C(=O)N1CCN(C(=O)[O-])C[C@@H]1C#N	ZINC000830865887	603598139	/nfs/dbraw/zinc/59/81/39/603598139.db2.gz	QHWGEEQDBCQJCS-VIFPVBQESA-N	-1	0	277.284	0.057	20	30		CCEDRM
N#Cc1cccc(C(=O)N2CCN(C(=O)[O-])C[C@H]2C#N)c1	ZINC000831146548	603600841	/nfs/dbraw/zinc/60/08/41/603600841.db2.gz	UHPBEEIJQMOYEL-GFCCVEGCSA-N	-1	0	284.275	0.886	20	30		CCEDRM
N#CCN1CCN(C(=O)[C@@H]2CCC[C@@H]2NC(=O)[O-])CC1	ZINC000831102630	603626503	/nfs/dbraw/zinc/62/65/03/603626503.db2.gz	PKIMDVRCBYZBOQ-MNOVXSKESA-N	-1	0	280.328	0.090	20	30		CCEDRM
C[C@H]1CCCN(CC(=O)NCCC#N)[C@@H]1CNC(=O)[O-]	ZINC000825923909	603729501	/nfs/dbraw/zinc/72/95/01/603729501.db2.gz	AGXFCPSFMRYJDZ-WDEREUQCSA-N	-1	0	282.344	0.384	20	30		CCEDRM
C[C@@H](NC(=O)C(=O)Nc1ccc(C#N)cc1)C(=O)[O-]	ZINC000818017720	617182174	/nfs/dbraw/zinc/18/21/74/617182174.db2.gz	FBBZDANUMZVBLW-SSDOTTSWSA-N	-1	0	261.237	0.086	20	30		CCEDRM
C#CCNC(=O)c1ccc(N(C)[C@@H](CC)C(=O)[O-])nc1	ZINC000844929370	612951963	/nfs/dbraw/zinc/95/19/63/612951963.db2.gz	IDAKQSWLBFJBEV-NSHDSACASA-N	-1	0	275.308	0.744	20	30		CCEDRM
N#C[C@@H]1CN(C(=O)[O-])CCN1C(=O)c1ccccc1O	ZINC000831091440	604155763	/nfs/dbraw/zinc/15/57/63/604155763.db2.gz	DZMKZJHUJVKACE-SECBINFHSA-N	-1	0	275.264	0.720	20	30		CCEDRM
C[C@@H](CN(C)C(=O)[O-])C(=O)N1CCN(C2CC2)[C@@H](C#N)C1	ZINC000824839801	604167372	/nfs/dbraw/zinc/16/73/72/604167372.db2.gz	GXUWMHDVIVOIMN-JQWIXIFHSA-N	-1	0	294.355	0.431	20	30		CCEDRM
N#Cc1c(Cn2cnccc2=O)cccc1C(=O)[O-]	ZINC000833761205	604553251	/nfs/dbraw/zinc/55/32/51/604553251.db2.gz	PZVVHPRULKLYOM-UHFFFAOYSA-N	-1	0	255.233	0.861	20	30		CCEDRM
C=C(COC(=O)C1(NC(=O)[O-])CC1)C(=O)OCC	ZINC000823480747	604760374	/nfs/dbraw/zinc/76/03/74/604760374.db2.gz	MZCYIEIELDRGKQ-UHFFFAOYSA-N	-1	0	257.242	0.449	20	30		CCEDRM
C[C@H](C(N)=O)N(C)Cc1cccc(C(=O)[O-])c1C#N	ZINC000833407080	604972479	/nfs/dbraw/zinc/97/24/79/604972479.db2.gz	IKIVBFUQVOUFMN-MRVPVSSYSA-N	-1	0	261.281	0.562	20	30		CCEDRM
C[C@H](C(=O)[O-])n1cccc1C=NN[C@H]1CCS(=O)(=O)C1	ZINC000833406052	605038070	/nfs/dbraw/zinc/03/80/70/605038070.db2.gz	KWFJCWKGQYQZOJ-ZJUUUORDSA-N	-1	0	299.352	0.244	20	30		CCEDRM
C#CCNS(=O)(=O)c1cc(F)cc(C(=O)[O-])c1	ZINC000833364825	605197332	/nfs/dbraw/zinc/19/73/32/605197332.db2.gz	XKTJUDIOFMDJGM-UHFFFAOYSA-N	-1	0	257.242	0.435	20	30		CCEDRM
C=CC[C@@H](CO)CNC(=O)CCCN(C)C(=O)[O-]	ZINC000833370613	605201655	/nfs/dbraw/zinc/20/16/55/605201655.db2.gz	MEJWRLAMPNRZNV-SNVBAGLBSA-N	-1	0	258.318	0.677	20	30		CCEDRM
N#CCN1CCC(OC(=O)[C@@]2(F)CCN(C(=O)[O-])C2)CC1	ZINC000831102513	605269687	/nfs/dbraw/zinc/26/96/87/605269687.db2.gz	LZGFPEQOJBPCJR-CYBMUJFWSA-N	-1	0	299.302	0.610	20	30		CCEDRM
N#CCN1CCC(OC(=O)[C@@H]2CC[C@@H](NC(=O)[O-])C2)CC1	ZINC000831102242	605269717	/nfs/dbraw/zinc/26/97/17/605269717.db2.gz	DBBBVJQYCPQWAV-GHMZBOCLSA-N	-1	0	295.339	0.954	20	30		CCEDRM
N#CCN1CCC(OC(=O)[C@@H]2CCN(C(=O)[O-])C2)CC1	ZINC000831102576	605269834	/nfs/dbraw/zinc/26/98/34/605269834.db2.gz	NSWZAPKFDDPKIB-SNVBAGLBSA-N	-1	0	281.312	0.517	20	30		CCEDRM
N#CCNC(=O)COC(=O)CN(C(=O)[O-])c1ccccc1	ZINC000831102424	605312050	/nfs/dbraw/zinc/31/20/50/605312050.db2.gz	JKQQLOIKPRDTAS-UHFFFAOYSA-N	-1	0	291.263	0.354	20	30		CCEDRM
C[C@H](C#N)OC(=O)CO[C@H]1CCCN(C(=O)[O-])C1	ZINC000823646402	605336045	/nfs/dbraw/zinc/33/60/45/605336045.db2.gz	BEJYNDWUVXIRGO-BDAKNGLRSA-N	-1	0	256.258	0.601	20	30		CCEDRM
O=C([O-])NCc1nnnn1CC#Cc1ccc(F)cc1	ZINC000832739097	605341532	/nfs/dbraw/zinc/34/15/32/605341532.db2.gz	RRSRCFHOYHHKPM-UHFFFAOYSA-N	-1	0	275.243	0.632	20	30		CCEDRM
C#CCNS(=O)(=O)c1cc(C(=O)[O-])oc1CC	ZINC000833364875	605421603	/nfs/dbraw/zinc/42/16/03/605421603.db2.gz	YPRHJPVYDKESQG-UHFFFAOYSA-N	-1	0	257.267	0.452	20	30		CCEDRM
Cn1cc(C#N)cc1C(=O)N[C@H]1CCCN(C(=O)[O-])C1	ZINC000830990106	605624481	/nfs/dbraw/zinc/62/44/81/605624481.db2.gz	ZZOIRGFPFRZMLU-JTQLQIEISA-N	-1	0	276.296	0.769	20	30		CCEDRM
Cc1onc(CC(=O)NC[C@@H]2CCCN2C(=O)[O-])c1C#N	ZINC000833937321	605695355	/nfs/dbraw/zinc/69/53/55/605695355.db2.gz	WZADFNLMILSLMT-VIFPVBQESA-N	-1	0	292.295	0.656	20	30		CCEDRM
Cc1onc(CC(=O)N(C)[C@@H](C)CNC(=O)[O-])c1C#N	ZINC000833935749	605695758	/nfs/dbraw/zinc/69/57/58/605695758.db2.gz	ITHQMFBFPQIJNT-ZETCQYMHSA-N	-1	0	280.284	0.512	20	30		CCEDRM
Cn1ccnc(N=NC2CCC[C@H]2NC(=O)[O-])c1=O	ZINC000833952709	605860282	/nfs/dbraw/zinc/86/02/82/605860282.db2.gz	PEXYPOCEEJVXRU-SSDOTTSWSA-N	-1	0	265.273	0.368	20	30		CCEDRM
C#CCCNS(=O)(=O)c1cc(F)ccc1C(=O)[O-]	ZINC000833365460	613048109	/nfs/dbraw/zinc/04/81/09/613048109.db2.gz	ROJDHESQFWHYGT-UHFFFAOYSA-N	-1	0	271.269	0.826	20	30		CCEDRM
N#Cc1ccnc(N2CC[C@H](NC(=O)[O-])C2)c1[N+](=O)[O-]	ZINC000831157503	605905718	/nfs/dbraw/zinc/90/57/18/605905718.db2.gz	YCGLMKDIPXPHIU-QMMMGPOBSA-N	-1	0	277.240	0.708	20	30		CCEDRM
N#CCC1CCN(C(=O)[C@@H]2CN(C(=O)[O-])CCO2)CC1	ZINC000833969170	605933340	/nfs/dbraw/zinc/93/33/40/605933340.db2.gz	SJKYCTQCAVHLOV-NSHDSACASA-N	-1	0	281.312	0.517	20	30		CCEDRM
N#CC1(COC(=O)C2(CNC(=O)[O-])CCOCC2)CC1	ZINC000833964885	605948209	/nfs/dbraw/zinc/94/82/09/605948209.db2.gz	SQHLYJHIKJCHBI-UHFFFAOYSA-N	-1	0	282.296	0.898	20	30		CCEDRM
N#C[C@@H](NC(=O)[C@H](CC(F)F)NC(=O)[O-])C1CC1	ZINC000833960163	606041677	/nfs/dbraw/zinc/04/16/77/606041677.db2.gz	GNGGXQCYXMPJOU-NKWVEPMBSA-N	-1	0	261.228	0.696	20	30		CCEDRM
C#CCCS(=O)(=O)[N-]C(=O)C(C)(C)c1cnn(C)c1	ZINC000810780766	613052602	/nfs/dbraw/zinc/05/26/02/613052602.db2.gz	QBHSHNCNILWURH-UHFFFAOYSA-N	-1	0	283.353	0.167	20	30		CCEDRM
C#CCCS(=O)(=O)[N-]C(=O)c1cc(F)ccc1OC	ZINC000798202739	613053540	/nfs/dbraw/zinc/05/35/40/613053540.db2.gz	LKKCATZSUFUWOI-UHFFFAOYSA-N	-1	0	285.296	0.917	20	30		CCEDRM
C#CCCS(=O)(=O)[N-]C(=O)C[C@H]1CSCCS1	ZINC000810779533	613053016	/nfs/dbraw/zinc/05/30/16/613053016.db2.gz	QZWYKXMRKXABSE-VIFPVBQESA-N	-1	0	293.435	0.694	20	30		CCEDRM
COCC(N=Nc1oc(C)nc1-c1nnn[n-]1)C1CC1	ZINC000821679938	606637012	/nfs/dbraw/zinc/63/70/12/606637012.db2.gz	SFMQVSLANJFTNJ-UHFFFAOYSA-N	-1	0	277.288	0.987	20	30		CCEDRM
C#CC[C@H](CO)NC(=O)c1ccccc1CCC(=O)[O-]	ZINC000911395485	613057813	/nfs/dbraw/zinc/05/78/13/613057813.db2.gz	RBYYIHUWFWSIQN-GFCCVEGCSA-N	-1	0	275.304	0.818	20	30		CCEDRM
N#CC(C(=O)N1CCCC1)=C([O-])c1ccc(-c2nn[nH]n2)[nH]1	ZINC000826379459	607776786	/nfs/dbraw/zinc/77/67/86/607776786.db2.gz	SDKBFSMBTYEKMH-QMMMGPOBSA-N	-1	0	299.294	0.140	20	30		CCEDRM
N#CCc1ccc(Cn2cnc(-c3nnn[n-]3)n2)cc1	ZINC000826382828	609486875	/nfs/dbraw/zinc/48/68/75/609486875.db2.gz	XAGXVKMBXLHOTH-UHFFFAOYSA-N	-1	0	266.268	0.573	20	30		CCEDRM
C#CCN(CC)S(=O)(=O)c1cc(C(=O)[O-])n(C)c1	ZINC000108921105	613106755	/nfs/dbraw/zinc/10/67/55/613106755.db2.gz	CKSCKHATHXVPDU-UHFFFAOYSA-N	-1	0	270.310	0.367	20	30		CCEDRM
CC#CCS(=O)(=O)[N-]C(=O)[C@@H](CC(C)C)NC(C)=O	ZINC000860720877	613646107	/nfs/dbraw/zinc/64/61/07/613646107.db2.gz	QIFOTRCJGUWYAO-LLVKDONJSA-N	-1	0	288.369	0.007	20	30		CCEDRM
CC(C)(Oc1ccc(C#N)cc1)C(=O)[N-]S(C)(=O)=O	ZINC000129848089	614223758	/nfs/dbraw/zinc/22/37/58/614223758.db2.gz	LWKZPHARKSEMDP-UHFFFAOYSA-N	-1	0	282.321	0.791	20	30		CCEDRM
C#CCOCCC(=O)N1CCSC[C@@H]1CC(=O)[O-]	ZINC000833363835	612978476	/nfs/dbraw/zinc/97/84/76/612978476.db2.gz	BQINQIOYEDUZQW-JTQLQIEISA-N	-1	0	271.338	0.445	20	30		CCEDRM
COc1ccc(C(=O)[N-]S(=O)(=O)CCC#N)c(F)c1	ZINC000821583599	617231035	/nfs/dbraw/zinc/23/10/35/617231035.db2.gz	AWQROLROVOUTOH-UHFFFAOYSA-N	-1	0	286.284	0.808	20	30		CCEDRM
CSCCO[N-]C(=O)[C@H](C)n1cnc(C#N)n1	ZINC000799004493	617239200	/nfs/dbraw/zinc/23/92/00/617239200.db2.gz	DEVVHOUYHJPMIK-ZETCQYMHSA-N	-1	0	255.303	0.122	20	30		CCEDRM
C[C@@H](C#N)C(=O)Nc1cc(C(=O)[O-])cc(S(C)(=O)=O)c1	ZINC000825967694	617295406	/nfs/dbraw/zinc/29/54/06/617295406.db2.gz	YVGRKNPQOVBSFA-ZETCQYMHSA-N	-1	0	296.304	0.886	20	30		CCEDRM
C[C@@H](C#N)CN(C)C(=O)C[C@@H]1CN(C(=O)[O-])CCO1	ZINC000823648087	617295582	/nfs/dbraw/zinc/29/55/82/617295582.db2.gz	PRUOBMWPMAPIQE-VHSXEESVSA-N	-1	0	269.301	0.373	20	30		CCEDRM
COc1cccc(C=Nn2c(=O)[n-][nH]c2=O)c1F	ZINC000814232848	617295236	/nfs/dbraw/zinc/29/52/36/617295236.db2.gz	OJMMBZWQVHLHFS-UHFFFAOYSA-N	-1	0	252.205	0.719	20	30		CCEDRM
C#CCNC(=O)c1ccc(NC[C@@H](C)C(=O)[O-])nc1	ZINC000848638260	612952465	/nfs/dbraw/zinc/95/24/65/612952465.db2.gz	RFXNCUJDTGHHHQ-SECBINFHSA-N	-1	0	261.281	0.577	20	30		CCEDRM
C#CCNC(=S)N1CCC2(C[C@@H]2C(=O)[O-])CC1	ZINC000833365862	612953012	/nfs/dbraw/zinc/95/30/12/612953012.db2.gz	VDHXESBGVGABOK-SECBINFHSA-N	-1	0	252.339	0.681	20	30		CCEDRM
C#CCC(C)(C)C(=O)[N-]S(=O)(=O)CCC(=O)OC	ZINC000842358510	612965682	/nfs/dbraw/zinc/96/56/82/612965682.db2.gz	UNTYVNRSYFOSOS-UHFFFAOYSA-N	-1	0	275.326	0.045	20	30		CCEDRM
C#CCCCCC(=O)N1CCOC[C@H]1c1nnn[n-]1	ZINC000913494735	612975356	/nfs/dbraw/zinc/97/53/56/612975356.db2.gz	CMVUCLPGWDDFMW-JTQLQIEISA-N	-1	0	263.301	0.293	20	30		CCEDRM
C#CCCCCNC(=O)N1CCN(C(=O)[O-])CC1	ZINC000823440777	612977540	/nfs/dbraw/zinc/97/75/40/612977540.db2.gz	IHGXJZGSMNYOLB-UHFFFAOYSA-N	-1	0	253.302	0.795	20	30		CCEDRM
C#CCOCCNC(=O)[C@H]1C[C@]1(C(=O)[O-])C(C)C	ZINC000899782477	612988574	/nfs/dbraw/zinc/98/85/74/612988574.db2.gz	VGLUSGAWDOVPTL-MFKMUULPSA-N	-1	0	253.298	0.499	20	30		CCEDRM
C#CCCN(c1cccc(-c2nn[nH]n2)c1)S(C)(=O)=O	ZINC000823844790	612989922	/nfs/dbraw/zinc/98/99/22/612989922.db2.gz	ISVIYPSMQZDLDM-UHFFFAOYSA-N	-1	0	291.336	0.656	20	30		CCEDRM
C#CCO[N-]C(=O)CNc1ccc(S(C)(=O)=O)cc1	ZINC000824483476	612992003	/nfs/dbraw/zinc/99/20/03/612992003.db2.gz	DFOTZKUMVKPDEH-UHFFFAOYSA-N	-1	0	282.321	0.183	20	30		CCEDRM
C#CCO[N-]C(=O)COc1ccc2c(c1)CCC(=O)N2	ZINC000812785866	612992173	/nfs/dbraw/zinc/99/21/73/612992173.db2.gz	ODCVGKWWHDPYBQ-UHFFFAOYSA-N	-1	0	274.276	0.631	20	30		CCEDRM
C#CCO[N-]C(=O)[C@H](C)NC(=O)c1[nH]nc2ccccc21	ZINC000812786359	612992898	/nfs/dbraw/zinc/99/28/98/612992898.db2.gz	HWPDVIZDKOQEFB-VIFPVBQESA-N	-1	0	286.291	0.362	20	30		CCEDRM
C#CCO[N-]C(=O)[C@]1(C)CN(C(=O)OC(C)(C)C)CCO1	ZINC000869252136	612993199	/nfs/dbraw/zinc/99/31/99/612993199.db2.gz	DRUBXRPTHJCHIA-AWEZNQCLSA-N	-1	0	298.339	0.693	20	30		CCEDRM
C#CCO[C@@H](C)C(=O)N(CCC(=O)[O-])CC1CC1	ZINC000908874692	612994010	/nfs/dbraw/zinc/99/40/10/612994010.db2.gz	AUULJUABTMXHJQ-JTQLQIEISA-N	-1	0	253.298	0.738	20	30		CCEDRM
C#CCO[C@@H](C)C(=O)N1CCCCC[C@@H]1C(=O)[O-]	ZINC000910044226	612994300	/nfs/dbraw/zinc/99/43/00/612994300.db2.gz	IYDCAPRMMFHWLQ-WDEREUQCSA-N	-1	0	253.298	0.881	20	30		CCEDRM
C#CCO[C@@H](C)C(=O)N1CC[C@@](C(=O)[O-])(C(F)(F)F)C1	ZINC000909770293	612995336	/nfs/dbraw/zinc/99/53/36/612995336.db2.gz	ZHIVFQAMHURXBD-GZMMTYOYSA-N	-1	0	293.241	0.890	20	30		CCEDRM
C#CCO[C@@H](C)C(=O)N[C@@](C)(CC(=O)[O-])c1ccccn1	ZINC000911616134	612997350	/nfs/dbraw/zinc/99/73/50/612997350.db2.gz	JOGIDLWHDJSDJW-NHYWBVRUSA-N	-1	0	290.319	0.926	20	30		CCEDRM
C#CCO[C@@H](C)C(=O)N[C@](C)(CC(=O)[O-])c1ccncc1	ZINC000911622410	612997676	/nfs/dbraw/zinc/99/76/76/612997676.db2.gz	BQRWUADDPYUKPD-XHDPSFHLSA-N	-1	0	290.319	0.926	20	30		CCEDRM
C#CCO[C@H](C)C(=O)N[C@](C)(CC(=O)[O-])c1ccccn1	ZINC000911616133	613003550	/nfs/dbraw/zinc/00/35/50/613003550.db2.gz	JOGIDLWHDJSDJW-IAQYHMDHSA-N	-1	0	290.319	0.926	20	30		CCEDRM
C#CC[C@@H](CO)NC(=O)CCc1ccc(C(=O)[O-])cc1	ZINC000911395434	613023719	/nfs/dbraw/zinc/02/37/19/613023719.db2.gz	PAWGYOVBIZPUQD-ZDUSSCGKSA-N	-1	0	275.304	0.818	20	30		CCEDRM
C#CC[C@@H](NC(=O)/C=C\C1CCOCC1)C(=O)[O-]	ZINC000910054526	613039162	/nfs/dbraw/zinc/03/91/62/613039162.db2.gz	PIKFLISYQZSODH-DOGVGXBMSA-N	-1	0	251.282	0.562	20	30		CCEDRM
C#CC[C@@H](Cc1ccccc1)NC(=O)c1n[nH]c(=O)[n-]c1=O	ZINC000804455600	613039169	/nfs/dbraw/zinc/03/91/69/613039169.db2.gz	JDTUEZQOEXAQBQ-NSHDSACASA-N	-1	0	298.302	0.647	20	30		CCEDRM
C#CC[C@@H](NC(=O)C1(COC)CCCC1)C(=O)[O-]	ZINC000910050664	613039552	/nfs/dbraw/zinc/03/95/52/613039552.db2.gz	NAMWIBFYDJCRHE-SNVBAGLBSA-N	-1	0	253.298	0.786	20	30		CCEDRM
C#CC[C@@H](NC(=O)CCCn1ccnc1C)C(=O)[O-]	ZINC000910050983	613039820	/nfs/dbraw/zinc/03/98/20/613039820.db2.gz	COXBBPNRYPCVAG-LLVKDONJSA-N	-1	0	263.297	0.564	20	30		CCEDRM
C#CC[C@@H](NC(=O)[C@@H](C)c1c(C)nn(C)c1C)C(=O)[O-]	ZINC000910053517	613040451	/nfs/dbraw/zinc/04/04/51/613040451.db2.gz	BAZWATVCHPXDQC-GZMMTYOYSA-N	-1	0	277.324	0.733	20	30		CCEDRM
C#CC[C@@H](NC(=O)[C@@H]1CCc2nccn2C1)C(=O)[O-]	ZINC000910048040	613040760	/nfs/dbraw/zinc/04/07/60/613040760.db2.gz	CBOSAQXZOYOLIO-NXEZZACHSA-N	-1	0	261.281	0.038	20	30		CCEDRM
C#CC[C@@H](NC(=O)c1ccnc(N2CCCC2)n1)C(=O)[O-]	ZINC000910049039	613042077	/nfs/dbraw/zinc/04/20/77/613042077.db2.gz	RNGAMDBYZDASOA-LLVKDONJSA-N	-1	0	288.307	0.283	20	30		CCEDRM
C#CC[C@@H](NC(=O)c1nc(C)sc1C)C(=O)[O-]	ZINC000910051408	613042542	/nfs/dbraw/zinc/04/25/42/613042542.db2.gz	UPZDKFYIBIUYNO-MRVPVSSYSA-N	-1	0	252.295	0.966	20	30		CCEDRM
C#CCc1c(C)[n-]n(-c2nccc(N3CCOCC3)n2)c1=O	ZINC000899351419	613043275	/nfs/dbraw/zinc/04/32/75/613043275.db2.gz	JQFQRSMLIISIGA-LBPRGKRZSA-N	-1	0	299.334	0.675	20	30		CCEDRM
C#CC[C@@H]1CCCN(C(=O)CCCn2c(=O)[n-][nH]c2=O)C1	ZINC000911515459	613044116	/nfs/dbraw/zinc/04/41/16/613044116.db2.gz	IAYYLMKMLYSECJ-LLVKDONJSA-N	-1	0	292.339	0.731	20	30		CCEDRM
C#CCCNC(=O)C(=O)Nc1cc(OC)ccc1C(=O)[O-]	ZINC000833365591	613046823	/nfs/dbraw/zinc/04/68/23/613046823.db2.gz	VHXDDWANBWEEKY-UHFFFAOYSA-N	-1	0	290.275	0.471	20	30		CCEDRM
COc1ccccc1-n1nccc1C=NNCC(=O)[O-]	ZINC000814958604	617312484	/nfs/dbraw/zinc/31/24/84/617312484.db2.gz	FOYGCJPIWSVXPE-UHFFFAOYSA-N	-1	0	274.280	0.889	20	30		CCEDRM
C#CCCNC(=O)[C@H](O)c1ccc(-c2nn[nH]n2)cc1	ZINC000823844580	613047761	/nfs/dbraw/zinc/04/77/61/613047761.db2.gz	BTNAQSFOIJEWON-LLVKDONJSA-N	-1	0	271.280	0.040	20	30		CCEDRM
C#CCCS(=O)(=O)[N-]C(=O)[C@H]1CC[C@H](CC)O1	ZINC000810782250	613053391	/nfs/dbraw/zinc/05/33/91/613053391.db2.gz	JMCNELMJRKHGAY-VHSXEESVSA-N	-1	0	259.327	0.413	20	30		CCEDRM
C#CC[C@H](NC(=O)C1(c2cc(C)no2)CC1)C(=O)[O-]	ZINC000910051717	613067407	/nfs/dbraw/zinc/06/74/07/613067407.db2.gz	ZDIIRBNAYOGGDL-VIFPVBQESA-N	-1	0	262.265	0.607	20	30		CCEDRM
C#CC[C@H](Cc1ccccc1)NC(=O)c1n[nH]c(=O)[n-]c1=O	ZINC000804455598	613067423	/nfs/dbraw/zinc/06/74/23/613067423.db2.gz	JDTUEZQOEXAQBQ-LLVKDONJSA-N	-1	0	298.302	0.647	20	30		CCEDRM
C#CC[C@H]([N-]C(=O)C(F)(F)C(F)F)C(=O)OC	ZINC000837945319	613067497	/nfs/dbraw/zinc/06/74/97/613067497.db2.gz	ZVTDGSNJZUTYEM-YFKPBYRVSA-N	-1	0	255.167	0.568	20	30		CCEDRM
C#CC[C@H](NC(=O)Cc1cccc(COC)c1)C(=O)[O-]	ZINC000910047089	613068359	/nfs/dbraw/zinc/06/83/59/613068359.db2.gz	YCSPTCGGCBXKOZ-ZDUSSCGKSA-N	-1	0	275.304	0.968	20	30		CCEDRM
C#CC[C@H](NC(=O)[C@H]1CCc2cnn(C)c2C1)C(=O)[O-]	ZINC000910050078	613069755	/nfs/dbraw/zinc/06/97/55/613069755.db2.gz	DZXZFORDAABASC-ONGXEEELSA-N	-1	0	275.308	0.118	20	30		CCEDRM
C#CC[C@H](NC(=O)c1cc(CO)c(C)o1)C(=O)[O-]	ZINC000910049931	613069904	/nfs/dbraw/zinc/06/99/04/613069904.db2.gz	AMRXGGPGEGLUOE-VIFPVBQESA-N	-1	0	251.238	0.287	20	30		CCEDRM
C#CC[C@H](NC(=O)c1cc(C(C)C)nn1C)C(=O)[O-]	ZINC000910055129	613070030	/nfs/dbraw/zinc/07/00/30/613070030.db2.gz	XXFJIKDFZZBUHA-VIFPVBQESA-N	-1	0	263.297	0.750	20	30		CCEDRM
C#CC[C@H](NC(=O)c1c(Cl)cnn1CC)C(=O)[O-]	ZINC000910045968	613070041	/nfs/dbraw/zinc/07/00/41/613070041.db2.gz	IQPZGEWHECKJAT-QMMMGPOBSA-N	-1	0	269.688	0.763	20	30		CCEDRM
C#CCN(C(=O)c1ccc([N-]S(C)(=O)=O)nc1)C1CC1	ZINC000860839904	613070042	/nfs/dbraw/zinc/07/00/42/613070042.db2.gz	HWOIKBVMLZRSMK-UHFFFAOYSA-N	-1	0	293.348	0.691	20	30		CCEDRM
C#CC[C@H](NC(=O)c1ccccc1OCCOC)C(=O)[O-]	ZINC000910053387	613070367	/nfs/dbraw/zinc/07/03/67/613070367.db2.gz	SIPNTRTWTXAPRA-LBPRGKRZSA-N	-1	0	291.303	0.918	20	30		CCEDRM
C#CC[C@H](NC(=O)c1cncc(COC)c1)C(=O)[O-]	ZINC000910046373	613070668	/nfs/dbraw/zinc/07/06/68/613070668.db2.gz	NLRCDUISDSNILB-NSHDSACASA-N	-1	0	262.265	0.434	20	30		CCEDRM
C#CCN(C)C(=O)[C@@H]1CC(C(=O)[O-])=NN1c1ccccc1	ZINC000911151716	613072006	/nfs/dbraw/zinc/07/20/06/613072006.db2.gz	PXQSRKATGGLNDK-ZDUSSCGKSA-N	-1	0	285.303	0.798	20	30		CCEDRM
C#C[C@@H](C)N(C)C(=O)CCCn1ccc(C(=O)[O-])n1	ZINC000911384928	613078899	/nfs/dbraw/zinc/07/88/99/613078899.db2.gz	LGWXFHGCTHMMDF-SNVBAGLBSA-N	-1	0	263.297	0.842	20	30		CCEDRM
C#C[C@@H](C)NS(=O)(=O)c1cccc(CC(=O)[O-])c1	ZINC000871951037	613082359	/nfs/dbraw/zinc/08/23/59/613082359.db2.gz	ILSYNFWBALRNFS-SECBINFHSA-N	-1	0	267.306	0.614	20	30		CCEDRM
C#C[C@@H](C)[N-]S(=O)(=O)c1occc1C(=O)OC	ZINC000867198106	613082601	/nfs/dbraw/zinc/08/26/01/613082601.db2.gz	FFXIBIWUPSWCIE-SSDOTTSWSA-N	-1	0	257.267	0.366	20	30		CCEDRM
C#CCN(CC#CC)C(=O)NC[C@H](NC(=O)[O-])C(C)C	ZINC000823450819	613099781	/nfs/dbraw/zinc/09/97/81/613099781.db2.gz	JUVYJLDIRCITMP-LBPRGKRZSA-N	-1	0	279.340	0.947	20	30		CCEDRM
C#CCN(CC#CC)C(=O)[C@@H]1CC[C@H](NC(=O)[O-])C1	ZINC000823451393	613100027	/nfs/dbraw/zinc/10/00/27/613100027.db2.gz	TWLFDFLAABSBQZ-NEPJUHHUSA-N	-1	0	262.309	0.908	20	30		CCEDRM
C#CCN(CC)C(=O)CCOC1CN(C(=O)[O-])C1	ZINC000833787339	613105312	/nfs/dbraw/zinc/10/53/12/613105312.db2.gz	LQMVMBBLEXJRJR-UHFFFAOYSA-N	-1	0	254.286	0.237	20	30		CCEDRM
C#C[C@H]1CC[C@H](NC(=O)N=c2nn[n-]n2CC)CC1	ZINC000888319833	613108083	/nfs/dbraw/zinc/10/80/83/613108083.db2.gz	OCGXEGLFXHNVFK-MGCOHNPYSA-N	-1	0	262.317	0.428	20	30		CCEDRM
C#C[C@H](C)NS(=O)(=O)c1ccc(OC)c(CC(=O)[O-])c1	ZINC000871951923	613118867	/nfs/dbraw/zinc/11/88/67/613118867.db2.gz	SDOPSJVLAWHEER-VIFPVBQESA-N	-1	0	297.332	0.622	20	30		CCEDRM
C#C[C@H](C)NS(=O)(=O)N=[S@](C)(=O)C(C)(C)C	ZINC000872480740	613119022	/nfs/dbraw/zinc/11/90/22/613119022.db2.gz	XKGBLGKAVSJFOE-VXJOIVPMSA-N	-1	0	266.388	0.739	20	30		CCEDRM
C#C[C@H](CO)NC(=O)c1ccccc1[N-]S(=O)(=O)CC	ZINC000854769504	613129946	/nfs/dbraw/zinc/12/99/46/613129946.db2.gz	NKJLGDIWSUBWPI-SNVBAGLBSA-N	-1	0	296.348	0.172	20	30		CCEDRM
C#C[C@H](NC(=O)[C@H](C(=O)[O-])C(C)C)C1CCOCC1	ZINC000911791765	613146772	/nfs/dbraw/zinc/14/67/72/613146772.db2.gz	OMDCXGNYNOOSBK-NWDGAFQWSA-N	-1	0	267.325	0.888	20	30		CCEDRM
C#C[C@H](NC(=O)[C@H](C(=O)[O-])C(C)C)[C@H]1CCCO1	ZINC000911579190	613146823	/nfs/dbraw/zinc/14/68/23/613146823.db2.gz	NYBSLTNATGKALA-HBNTYKKESA-N	-1	0	253.298	0.640	20	30		CCEDRM
C#C[C@H](NC(=O)c1csc(C(=O)[O-])n1)C1CCOCC1	ZINC000911793581	613149927	/nfs/dbraw/zinc/14/99/27/613149927.db2.gz	WJRWSXWTRUFYJH-VIFPVBQESA-N	-1	0	294.332	1.000	20	30		CCEDRM
C#Cc1ccc(C(=O)N2CCO[C@H](CC(=O)[O-])C2)cn1	ZINC000825636964	613171171	/nfs/dbraw/zinc/17/11/71/613171171.db2.gz	YALTWYCIZXRLMM-GFCCVEGCSA-N	-1	0	274.276	0.379	20	30		CCEDRM
C#Cc1ccc(C(=O)N2CCO[C@H](c3nnn[n-]3)C2)cc1	ZINC000900626512	613171198	/nfs/dbraw/zinc/17/11/98/613171198.db2.gz	SCKZRAPCXPJWRL-LBPRGKRZSA-N	-1	0	283.291	0.395	20	30		CCEDRM
C#Cc1ccc(C(=O)N2CC[C@](C)(C(=O)[O-])C2)nc1	ZINC000825636986	613174747	/nfs/dbraw/zinc/17/47/47/613174747.db2.gz	ZFBRPLBNPDROBM-AWEZNQCLSA-N	-1	0	258.277	1.000	20	30		CCEDRM
C#CCN1CCC[C@@H](NC(=O)c2[nH]nc(C)c2[O-])C1	ZINC000923564648	613174874	/nfs/dbraw/zinc/17/48/74/613174874.db2.gz	ATXMOTSEBQZHHB-SNVBAGLBSA-N	-1	0	262.313	0.251	20	30		CCEDRM
C#Cc1ccc(C(=O)N2C[C@H](C)[C@@H](C(=O)[O-])C2)cn1	ZINC000825636326	613176088	/nfs/dbraw/zinc/17/60/88/613176088.db2.gz	HRKHPQIPEQEREK-CABZTGNLSA-N	-1	0	258.277	0.856	20	30		CCEDRM
C#Cc1ccc(C(=O)N2C[C@H](C)[C@@H](C(=O)[O-])C2)nc1	ZINC000825636891	613176110	/nfs/dbraw/zinc/17/61/10/613176110.db2.gz	WLRKYTPIZAVKSK-ONGXEEELSA-N	-1	0	258.277	0.856	20	30		CCEDRM
C#CCN1CCC[C@H]1C(=O)N[C@@H](CCC)C(=O)[O-]	ZINC000833364008	613200907	/nfs/dbraw/zinc/20/09/07/613200907.db2.gz	COKHARZRGMGJPP-QWRGUYRKSA-N	-1	0	252.314	0.454	20	30		CCEDRM
C#Cc1cncc(C(=O)N2CCC[C@@]2(COC)C(=O)[O-])c1	ZINC000909937956	613213243	/nfs/dbraw/zinc/21/32/43/613213243.db2.gz	NJSZWQGIZJBLJW-OAHLLOKOSA-N	-1	0	288.303	0.769	20	30		CCEDRM
C#Cc1cncc(C(=O)N2CCOC[C@H]2CC(=O)[O-])c1	ZINC000909617052	613213523	/nfs/dbraw/zinc/21/35/23/613213523.db2.gz	PJHOJTJDEKHVHD-GFCCVEGCSA-N	-1	0	274.276	0.379	20	30		CCEDRM
C#Cc1cncc(C(=O)N2CC[C@@H](C(=O)[O-])[C@H]2C)c1	ZINC000909810138	613214344	/nfs/dbraw/zinc/21/43/44/613214344.db2.gz	VOLYQJLCAWRPSE-BXKDBHETSA-N	-1	0	258.277	0.998	20	30		CCEDRM
C#CCNC(=O)CN(C)Cc1nc(=O)c2sccc2[n-]1	ZINC000131769730	613327732	/nfs/dbraw/zinc/32/77/32/613327732.db2.gz	JWOMXZISGPFKEM-UHFFFAOYSA-N	-1	0	290.348	0.166	20	30		CCEDRM
C#CCNC(=O)COC(=O)[C@@H]1CCC[C@H](C(=O)[O-])C1	ZINC000825620124	613331924	/nfs/dbraw/zinc/33/19/24/613331924.db2.gz	WLSVWLLYNCZHBL-VHSXEESVSA-N	-1	0	267.281	0.170	20	30		CCEDRM
C=C(C)COCCNC(=O)CC1CN(C(=O)[O-])C1	ZINC000823480654	613351946	/nfs/dbraw/zinc/35/19/46/613351946.db2.gz	KBHCSUVKSOBXDU-UHFFFAOYSA-N	-1	0	256.302	0.695	20	30		CCEDRM
C=C(C)CO[N-]C(=O)C(=O)Nc1cc(C)nn1CC	ZINC000861899644	613352329	/nfs/dbraw/zinc/35/23/29/613352329.db2.gz	UUWDLTPMVUXFQT-UHFFFAOYSA-N	-1	0	266.301	0.774	20	30		CCEDRM
C=C(C)CS(=O)(=O)N1CCC[C@@H](C#CC(=O)[O-])C1	ZINC000899926496	613354028	/nfs/dbraw/zinc/35/40/28/613354028.db2.gz	MKORVKJYBUQUDV-NSHDSACASA-N	-1	0	271.338	0.692	20	30		CCEDRM
C=C(C)CS(=O)(=O)N[C@@H](COC(C)C)C(=O)[O-]	ZINC000863416233	613354225	/nfs/dbraw/zinc/35/42/25/613354225.db2.gz	FSFJLVTYAADZLG-VIFPVBQESA-N	-1	0	265.331	0.360	20	30		CCEDRM
C=C(C)C[C@@H](NC(=O)Nc1cnn(C)c1)C(=O)[O-]	ZINC000908648279	613355810	/nfs/dbraw/zinc/35/58/10/613355810.db2.gz	AAERGGLNKMKFHZ-SECBINFHSA-N	-1	0	252.274	0.961	20	30		CCEDRM
C=C(C)C[C@@H](NC(=O)[C@@H]1CCc2cncn2C1)C(=O)[O-]	ZINC000910294365	613356028	/nfs/dbraw/zinc/35/60/28/613356028.db2.gz	QDHSMCYJVLPTSJ-ZYHUDNBSSA-N	-1	0	277.324	0.981	20	30		CCEDRM
C=C(C)C[C@H](NC(=O)c1cnnn1CC)C(=O)[O-]	ZINC000910290987	613359224	/nfs/dbraw/zinc/35/92/24/613359224.db2.gz	AYKOEBJENMRJAQ-QMMMGPOBSA-N	-1	0	252.274	0.447	20	30		CCEDRM
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CC(C)(C(=O)[O-])C1	ZINC000910061390	613360811	/nfs/dbraw/zinc/36/08/11/613360811.db2.gz	JBUCCKMCVMFSPQ-UWVGGRQHSA-N	-1	0	253.298	0.901	20	30		CCEDRM
C=C(CC)CN1c2c(cnn2C)C([O-])=CS1(=O)=O	ZINC000902833443	613363233	/nfs/dbraw/zinc/36/32/33/613363233.db2.gz	BUHCONBZBILJMZ-UHFFFAOYSA-N	-1	0	269.326	0.719	20	30		CCEDRM
C=C(Cl)C[C@@H](NC(=O)CS(=O)(=O)CCC)C(=O)[O-]	ZINC000864185546	613388445	/nfs/dbraw/zinc/38/84/45/613388445.db2.gz	WRTKJNYXKLAJIS-MRVPVSSYSA-N	-1	0	297.760	0.523	20	30		CCEDRM
C=C(Cl)C[C@@H](NC(=O)CCCC(=O)N(C)C)C(=O)[O-]	ZINC000864185213	613388500	/nfs/dbraw/zinc/38/85/00/613388500.db2.gz	WGZQELZFSCICHC-SECBINFHSA-N	-1	0	290.747	0.957	20	30		CCEDRM
C=C(Cl)C[C@@H](NC(=O)Cn1nccc1C)C(=O)[O-]	ZINC000910265728	613388568	/nfs/dbraw/zinc/38/85/68/613388568.db2.gz	JKPLNZBBCNYCNN-SECBINFHSA-N	-1	0	271.704	0.904	20	30		CCEDRM
C=C(Cl)C[C@H](NC(=O)[C@@H]1CCS(=O)(=O)C1)C(=O)[O-]	ZINC000864184248	613390632	/nfs/dbraw/zinc/39/06/32/613390632.db2.gz	LOVXRFVFNSMWRL-SFYZADRCSA-N	-1	0	295.744	0.133	20	30		CCEDRM
C=C(Cl)C[C@H](NC(=O)[C@@H](OC)[C@@H]1CCOC1)C(=O)[O-]	ZINC000864186592	613390653	/nfs/dbraw/zinc/39/06/53/613390653.db2.gz	SOWMEKYWQJDBEX-UTLUCORTSA-N	-1	0	291.731	0.750	20	30		CCEDRM
C=C(Cl)C[C@H](NC(=O)[C@@H](O)c1cccnc1)C(=O)[O-]	ZINC000910264803	613390657	/nfs/dbraw/zinc/39/06/57/613390657.db2.gz	DQQKVCZTYSERLX-UWVGGRQHSA-N	-1	0	284.699	0.827	20	30		CCEDRM
C=C(Cl)C[C@H](NC(=O)[C@@H](C)C(=O)[O-])C(=O)OCC	ZINC000902267787	613390721	/nfs/dbraw/zinc/39/07/21/613390721.db2.gz	JISNONZMWFOBQZ-SFYZADRCSA-N	-1	0	277.704	0.898	20	30		CCEDRM
C=C(Cl)C[C@H](NS(=O)(=O)CCCCOC)C(=O)[O-]	ZINC000863421480	613390796	/nfs/dbraw/zinc/39/07/96/613390796.db2.gz	YMBQNEKQESCEPG-VIFPVBQESA-N	-1	0	299.776	0.928	20	30		CCEDRM
C=CC[C@@H](CO)CNS(=O)(=O)N=S1(=O)CCCC1	ZINC000867057713	613403132	/nfs/dbraw/zinc/40/31/32/613403132.db2.gz	ZBLXYIUXWYGBOD-SNVBAGLBSA-N	-1	0	296.414	0.267	20	30		CCEDRM
C=C1CCC(C(=O)N2CCO[C@@H](c3nnn[n-]3)C2)CC1	ZINC000900625999	613405554	/nfs/dbraw/zinc/40/55/54/613405554.db2.gz	PDGXOOKJCOBMRR-LLVKDONJSA-N	-1	0	277.328	0.846	20	30		CCEDRM
C=C1CCC(C(=O)[N-]S(=O)(=O)N2CCOCC2)CC1	ZINC000892744844	613409610	/nfs/dbraw/zinc/40/96/10/613409610.db2.gz	OFVJOUOLEUYZJC-UHFFFAOYSA-N	-1	0	288.369	0.426	20	30		CCEDRM
C=CC[C@H](CO)CNc1cc(C)nc2nc(C(=O)[O-])nn21	ZINC000833371778	613416278	/nfs/dbraw/zinc/41/62/78/613416278.db2.gz	WBOKVLINXZQVOT-VIFPVBQESA-N	-1	0	291.311	0.727	20	30		CCEDRM
C=C1[C@H](C(=O)[N-]OCC2CC2)[C@@H]1C(=O)[N-]OCC1CC1	ZINC000908383762	613418358	/nfs/dbraw/zinc/41/83/58/613418358.db2.gz	UXPWWZVXSDVROK-TXEJJXNPSA-N	-1	0	280.324	0.704	20	30		CCEDRM
C=CC(C)(C)C(=O)N1CC[C@H](N(C)Cc2n[nH]c(=O)[n-]2)C1	ZINC000972082465	613439448	/nfs/dbraw/zinc/43/94/48/613439448.db2.gz	OCWQRSXOZNWOGT-JTQLQIEISA-N	-1	0	293.371	0.755	20	30		CCEDRM
C=C[C@@H](C)O[N-]C(=O)CNC(=O)Cc1ccc(O)cc1	ZINC000846548521	613443595	/nfs/dbraw/zinc/44/35/95/613443595.db2.gz	KDTQZSJKNRRZAY-SNVBAGLBSA-N	-1	0	278.308	0.673	20	30		CCEDRM
C=CC(C)(C)C(=O)[N-]S(=O)(=O)c1ccc2n[nH]nc2c1	ZINC000838913432	613444438	/nfs/dbraw/zinc/44/44/38/613444438.db2.gz	RNAJIRSELVMJHO-UHFFFAOYSA-N	-1	0	294.336	0.975	20	30		CCEDRM
C=CC(C)(C)CC(=O)[N-]S(=O)(=O)C(COC)COC	ZINC000893227963	613446106	/nfs/dbraw/zinc/44/61/06/613446106.db2.gz	SWFNSTQHIWWUOV-UHFFFAOYSA-N	-1	0	293.385	0.696	20	30		CCEDRM
C=C[C@@H](C)O[N-]C(=O)[C@H](c1cncn1C)N(C)C	ZINC000846555633	613447078	/nfs/dbraw/zinc/44/70/78/613447078.db2.gz	TXKXQRXGHIVHFY-KOLCDFICSA-N	-1	0	252.318	0.645	20	30		CCEDRM
C=CC1(CC(=O)NCC(=O)NCC(=O)[O-])CCCCC1	ZINC000907746315	613449759	/nfs/dbraw/zinc/44/97/59/613449759.db2.gz	FOSXGLWOCVPZHI-UHFFFAOYSA-N	-1	0	282.340	0.830	20	30		CCEDRM
C=CC1(S(=O)(=O)[N-]C(=O)[C@@H](CC)NC(C)=O)CC1	ZINC000870839633	613450759	/nfs/dbraw/zinc/45/07/59/613450759.db2.gz	PXDWDIJDZCSLBD-SECBINFHSA-N	-1	0	274.342	0.066	20	30		CCEDRM
C=C[C@@H](O)C(=O)NC[C@@H](Cc1ccccc1OC)C(=O)[O-]	ZINC000909386330	613451839	/nfs/dbraw/zinc/45/18/39/613451839.db2.gz	WQGMTWCDXZQAPO-VXGBXAGGSA-N	-1	0	293.319	0.602	20	30		CCEDRM
C=CC1CCN(C(=O)C(=O)NCCCCC(=O)[O-])CC1	ZINC000817115905	613452199	/nfs/dbraw/zinc/45/21/99/613452199.db2.gz	QVADNWHZNLUUCE-UHFFFAOYSA-N	-1	0	282.340	0.782	20	30		CCEDRM
C=CC1(S(=O)(=O)[N-]C(=O)c2cncc(F)c2)CC1	ZINC000870834140	613452356	/nfs/dbraw/zinc/45/23/56/613452356.db2.gz	PGDLLJPIIQJZRJ-UHFFFAOYSA-N	-1	0	270.285	0.999	20	30		CCEDRM
C=CCC(F)(F)C(=O)N1CCO[C@H](c2nnn[n-]2)C1	ZINC000815519642	613454760	/nfs/dbraw/zinc/45/47/60/613454760.db2.gz	DJMMDGDHKYGDDD-ZETCQYMHSA-N	-1	0	273.243	0.311	20	30		CCEDRM
C=CCC1(C(=O)NCC(=O)NCC(=O)[O-])CCC1	ZINC000910334950	613456585	/nfs/dbraw/zinc/45/65/85/613456585.db2.gz	WCKDBWPCYUKUMZ-UHFFFAOYSA-N	-1	0	254.286	0.050	20	30		CCEDRM
C=CCC1(C(=O)[O-])CN(S(=O)(=O)c2c(C)cnn2C)C1	ZINC000906007072	613456940	/nfs/dbraw/zinc/45/69/40/613456940.db2.gz	TXDVUVNGOUCAEX-UHFFFAOYSA-N	-1	0	299.352	0.380	20	30		CCEDRM
C=CCC1(S(=O)(=O)[N-]C(=O)CNC(=O)CCC)CC1	ZINC000810982034	613460885	/nfs/dbraw/zinc/46/08/85/613460885.db2.gz	KHNRYYILDFLOHW-UHFFFAOYSA-N	-1	0	288.369	0.457	20	30		CCEDRM
C=CCC1(S(=O)(=O)[N-]C(=O)c2cnn(C)c2)CC1	ZINC000810987063	613461177	/nfs/dbraw/zinc/46/11/77/613461177.db2.gz	WZJACBLUZNBXDK-UHFFFAOYSA-N	-1	0	269.326	0.588	20	30		CCEDRM
C=CCC1(S(=O)(=O)[N-]C(=O)c2ccc(C(N)=O)o2)CC1	ZINC000810982093	613461208	/nfs/dbraw/zinc/46/12/08/613461208.db2.gz	YGHZCFOEOWLNHM-UHFFFAOYSA-N	-1	0	298.320	0.547	20	30		CCEDRM
C=CCC1(S(=O)(=O)[N-]C(=O)[C@@H](OC)C2CC2)CC1	ZINC000810979621	613461435	/nfs/dbraw/zinc/46/14/35/613461435.db2.gz	GDSCNSPOKSIUCZ-JTQLQIEISA-N	-1	0	273.354	0.966	20	30		CCEDRM
C=CCCCC(=O)[N-]S(=O)(=O)C(COC)COC	ZINC000851501451	613464722	/nfs/dbraw/zinc/46/47/22/613464722.db2.gz	VUIRXUJTFUUCSF-UHFFFAOYSA-N	-1	0	279.358	0.450	20	30		CCEDRM
C=CCCCC(=O)[N-]S(=O)(=O)CCC(=O)OC	ZINC000842357078	613464850	/nfs/dbraw/zinc/46/48/50/613464850.db2.gz	SMUWPVMSXQMNNM-UHFFFAOYSA-N	-1	0	263.315	0.352	20	30		CCEDRM
C=C[C@@H]1OCC[C@H]1C(=O)[N-]S(=O)(=O)C1(C=C)CC1	ZINC000870837634	613465675	/nfs/dbraw/zinc/46/56/75/613465675.db2.gz	SNEWQTLKFZIVEY-ZJUUUORDSA-N	-1	0	271.338	0.742	20	30		CCEDRM
C=C[C@@H]1OCC[C@H]1C(=O)[N-]S(=O)(=O)N(C)CCC	ZINC000835221794	613465765	/nfs/dbraw/zinc/46/57/65/613465765.db2.gz	ZEANJVUYMINXGS-ZJUUUORDSA-N	-1	0	276.358	0.280	20	30		CCEDRM
C=C[C@@H]1OCC[C@H]1C(=O)[N-]S(=O)(=O)[C@H](C)COC	ZINC000835160766	613466253	/nfs/dbraw/zinc/46/62/53/613466253.db2.gz	BFRGLYVRFJZQTI-BBBLOLIVSA-N	-1	0	277.342	0.058	20	30		CCEDRM
C=CCCCS(=O)(=O)N1CC[C@H]2[C@@H](C(=O)[O-])[C@H]2C1	ZINC000871775385	613468733	/nfs/dbraw/zinc/46/87/33/613468733.db2.gz	HJCCOOWNBPHKQW-OUAUKWLOSA-N	-1	0	273.354	0.935	20	30		CCEDRM
C=C[C@@H]1OCC[C@H]1CNC(=O)N(C)[C@H](C)C(=O)[O-]	ZINC000909238024	613468825	/nfs/dbraw/zinc/46/88/25/613468825.db2.gz	MPRVWZDIZITMSU-UTLUCORTSA-N	-1	0	256.302	0.692	20	30		CCEDRM
C=CCCCS(=O)(=O)[N-]c1nc2n(c1C#N)CCOC2	ZINC000903691044	613469586	/nfs/dbraw/zinc/46/95/86/613469586.db2.gz	CPLLBBJUPCCCSB-UHFFFAOYSA-N	-1	0	296.352	0.993	20	30		CCEDRM
C=CCCCS(=O)(=O)N[C@H]1CCO[C@](C)(C(=O)[O-])C1	ZINC000906007517	613469592	/nfs/dbraw/zinc/46/95/92/613469592.db2.gz	AIPNWOVVKPWRQD-JQWIXIFHSA-N	-1	0	291.369	0.894	20	30		CCEDRM
C=C[C@@H]1OCC[C@H]1CNC(=O)[C@@H]1CC[C@H]1C(=O)[O-]	ZINC000901681156	613469668	/nfs/dbraw/zinc/46/96/68/613469668.db2.gz	BSFUNZQDBNPMQR-ZDCRXTMVSA-N	-1	0	253.298	0.805	20	30		CCEDRM
C=CCCC[C@H](NC(=O)C1(N2CCOCC2)CC1)C(=O)[O-]	ZINC000910927453	613472920	/nfs/dbraw/zinc/47/29/20/613472920.db2.gz	YTDDAAKEOVVLLW-LBPRGKRZSA-N	-1	0	296.367	0.777	20	30		CCEDRM
C=CCCC[C@H](NC(=O)[C@H]1COCCO1)C(=O)[O-]	ZINC000910915167	613474255	/nfs/dbraw/zinc/47/42/55/613474255.db2.gz	VYLIHAXFURPQIT-VHSXEESVSA-N	-1	0	257.286	0.328	20	30		CCEDRM
C=C[C@@](C)(O)C(=O)NC[C@@H](Oc1ccccc1)C(=O)[O-]	ZINC000910484733	613478639	/nfs/dbraw/zinc/47/86/39/613478639.db2.gz	HLESDAXLPAKEIE-BXUZGUMPSA-N	-1	0	279.292	0.572	20	30		CCEDRM
C=C[C@@](C)(O)C(=O)NCc1nc(C)c(C(=O)[O-])s1	ZINC000909501446	613478971	/nfs/dbraw/zinc/47/89/71/613478971.db2.gz	GZLCEKBDVQANNC-LLVKDONJSA-N	-1	0	270.310	0.703	20	30		CCEDRM
C=C[C@@](C)(O)C(=O)N[C@@H](Cc1ccccc1)C(=O)[O-]	ZINC000908583712	613479146	/nfs/dbraw/zinc/47/91/46/613479146.db2.gz	UWRJETXRHQTBJB-SMDDNHRTSA-N	-1	0	263.293	0.736	20	30		CCEDRM
C=C[C@H](C)NC(=O)C(=O)Nc1cccc(OCC(=O)[O-])c1	ZINC000825653302	613482592	/nfs/dbraw/zinc/48/25/92/613482592.db2.gz	JESRHJNNOWWGMU-VIFPVBQESA-N	-1	0	292.291	0.779	20	30		CCEDRM
C=C[C@H](C)O[N-]C(=O)C(=O)Nc1c(C)cnn1C	ZINC000850476885	613483649	/nfs/dbraw/zinc/48/36/49/613483649.db2.gz	RDNOTWAKWCEFII-QMMMGPOBSA-N	-1	0	252.274	0.289	20	30		CCEDRM
C=C[C@H](C)O[N-]C(=O)C1(N2CCOCC2)CCC1	ZINC000846547343	613483710	/nfs/dbraw/zinc/48/37/10/613483710.db2.gz	DJWZTDXNGOVTQO-NSHDSACASA-N	-1	0	254.330	0.864	20	30		CCEDRM
C=C[C@H](C)O[N-]C(=O)C(=O)Nc1cc(N(C)C)ncn1	ZINC000846155594	613483712	/nfs/dbraw/zinc/48/37/12/613483712.db2.gz	HVFSGCVSFDIEPG-QMMMGPOBSA-N	-1	0	279.300	0.103	20	30		CCEDRM
C=C[C@H](C)O[N-]C(=O)CNC(=O)c1ccoc1C	ZINC000846550421	613484147	/nfs/dbraw/zinc/48/41/47/613484147.db2.gz	SGEURHQSHCXOEQ-QMMMGPOBSA-N	-1	0	252.270	0.940	20	30		CCEDRM
C=C[C@H](C)O[N-]C(=O)Cc1nc(C2CC2)nn1C	ZINC000846553432	613484706	/nfs/dbraw/zinc/48/47/06/613484706.db2.gz	ARXWBGKYQDMHIU-QMMMGPOBSA-N	-1	0	250.302	0.857	20	30		CCEDRM
C=C[C@H](CC)CC(=O)N1CC(n2cc(C(=O)[O-])nn2)C1	ZINC000907629429	613489178	/nfs/dbraw/zinc/48/91/78/613489178.db2.gz	QTCYKMPTIGVPJU-SECBINFHSA-N	-1	0	278.312	0.962	20	30		CCEDRM
C=C[C@H](O)C(=O)NC[C@@H](SCC(=O)[O-])C(F)(F)F	ZINC000910352852	613495719	/nfs/dbraw/zinc/49/57/19/613495719.db2.gz	XNNDCEBKXIAQNQ-NTSWFWBYSA-N	-1	0	287.259	0.398	20	30		CCEDRM
C=C[C@H](O)C(=O)N[C@H](C(=O)[O-])c1ccc2c(c1)CCO2	ZINC000909795010	613497419	/nfs/dbraw/zinc/49/74/19/613497419.db2.gz	SSSWOGAFKHFYHT-JQWIXIFHSA-N	-1	0	277.276	0.410	20	30		CCEDRM
C=C[C@](C)(CC)C(=O)N1CCC(O)(c2nnn[n-]2)CC1	ZINC000907944008	613501682	/nfs/dbraw/zinc/50/16/82/613501682.db2.gz	PVIIBFUAJUDCEC-GFCCVEGCSA-N	-1	0	279.344	0.612	20	30		CCEDRM
C=C[C@](C)(O)C(=O)[N-]OC[C@@H](C)NC(=O)OC(C)(C)C	ZINC000857165745	613508253	/nfs/dbraw/zinc/50/82/53/613508253.db2.gz	AFXHMZNLPQNDOR-RNCFNFMXSA-N	-1	0	288.344	0.884	20	30		CCEDRM
C=CCCOC(=O)Cc1c(C)nc2cc[n-]n2c1=O	ZINC000103801687	613569847	/nfs/dbraw/zinc/56/98/47/613569847.db2.gz	XWTZFAVMWVUYOI-UHFFFAOYSA-N	-1	0	261.281	0.993	20	30		CCEDRM
C=CCCO[N-]C(=O)C1(C(=O)OCC)CCOCC1	ZINC000856035653	613576287	/nfs/dbraw/zinc/57/62/87/613576287.db2.gz	GUVUCGRVQFEIBK-UHFFFAOYSA-N	-1	0	271.313	0.970	20	30		CCEDRM
C=CCCO[N-]C(=O)[C@H](NS(=O)(=O)C1CC1)C(C)C	ZINC000856035560	613577291	/nfs/dbraw/zinc/57/72/91/613577291.db2.gz	CVAUWPQIAFOHGO-LLVKDONJSA-N	-1	0	290.385	0.717	20	30		CCEDRM
C=CCCS(=O)(=O)N1CCC[C@@H]1CNC(=O)[O-]	ZINC000823500225	613580682	/nfs/dbraw/zinc/58/06/82/613580682.db2.gz	CKIVSIPUBRHJGR-SECBINFHSA-N	-1	0	262.331	0.624	20	30		CCEDRM
C=CCCS(=O)(=O)N1CCC(N(C)C(=O)[O-])CC1	ZINC000823500621	613580721	/nfs/dbraw/zinc/58/07/21/613580721.db2.gz	INILVFFDDVNFGA-UHFFFAOYSA-N	-1	0	276.358	0.967	20	30		CCEDRM
C=CCCS(=O)(=O)N[C@H]1C[C@H]2C[C@@H](C(=O)[O-])C[C@H]21	ZINC000903542742	613582299	/nfs/dbraw/zinc/58/22/99/613582299.db2.gz	KSIBKUGZEYICJF-DBIOUOCHSA-N	-1	0	273.354	0.981	20	30		CCEDRM
C=CCC[C@@H](NC(=O)C1(O)CCSCC1)C(=O)[O-]	ZINC000909711543	613584417	/nfs/dbraw/zinc/58/44/17/613584417.db2.gz	CRPHXSPKKXIUJB-SECBINFHSA-N	-1	0	273.354	0.780	20	30		CCEDRM
C=CCC[C@@H](NC(=O)NCCO[C@H]1CCOC1)C(=O)[O-]	ZINC000929017493	613584923	/nfs/dbraw/zinc/58/49/23/613584923.db2.gz	UZXDQBVHNCTMMB-WDEREUQCSA-N	-1	0	286.328	0.511	20	30		CCEDRM
C=CCC[C@@H](NC(=O)[C@@]1(O)CCSC1)C(=O)[O-]	ZINC000909715321	613584978	/nfs/dbraw/zinc/58/49/78/613584978.db2.gz	LQTYBEMIBBQCAA-LDYMZIIASA-N	-1	0	259.327	0.390	20	30		CCEDRM
C=CCC[C@@H](NC(=O)c1nn(CC)nc1C)C(=O)[O-]	ZINC000909712163	613585814	/nfs/dbraw/zinc/58/58/14/613585814.db2.gz	IHBNCXKSRRWQMP-SECBINFHSA-N	-1	0	266.301	0.756	20	30		CCEDRM
C=CCC[C@H](NC(=O)C1CCN(OC)CC1)C(=O)[O-]	ZINC000909713046	613589589	/nfs/dbraw/zinc/58/95/89/613589589.db2.gz	DMDGNYUPXVQBBJ-NSHDSACASA-N	-1	0	270.329	0.795	20	30		CCEDRM
C=CCC[C@H](NS(=O)(=O)CC(C)(C)OC)C(=O)[O-]	ZINC000844783962	613590600	/nfs/dbraw/zinc/59/06/00/613590600.db2.gz	BMTHEWYNWCSYFP-VIFPVBQESA-N	-1	0	279.358	0.750	20	30		CCEDRM
C=CCCn1cc(C(=O)N2CC(C)(C(=O)[O-])C2)nn1	ZINC000910060236	613593303	/nfs/dbraw/zinc/59/33/03/613593303.db2.gz	SBGLLLOKMYFIAG-UHFFFAOYSA-N	-1	0	264.285	0.401	20	30		CCEDRM
C=CCCn1cc(C(=O)NC[C@H]2C[C@H]2C(=O)[O-])nn1	ZINC000910612911	613594924	/nfs/dbraw/zinc/59/49/24/613594924.db2.gz	PJTLYIVJUSRFDU-RKDXNWHRSA-N	-1	0	264.285	0.305	20	30		CCEDRM
C=CCN(C(=O)C(=O)N1CCC[C@H](C(=O)[O-])C1)C(C)C	ZINC000817892470	613602043	/nfs/dbraw/zinc/60/20/43/613602043.db2.gz	AEWMFMQCCWOFPZ-NSHDSACASA-N	-1	0	282.340	0.733	20	30		CCEDRM
C=CCN(CC(=O)[O-])C(=O)NOC[C@H]1CCOC1	ZINC000909248810	613642674	/nfs/dbraw/zinc/64/26/74/613642674.db2.gz	LPQVLLQMICFEQW-VIFPVBQESA-N	-1	0	258.274	0.237	20	30		CCEDRM
C=CCN(CC(=O)[O-])C(=O)NCc1ccc(N(C)C)nc1	ZINC000908809805	613642678	/nfs/dbraw/zinc/64/26/78/613642678.db2.gz	ZVJZBFRYJPADIS-UHFFFAOYSA-N	-1	0	292.339	0.930	20	30		CCEDRM
C=CCN(CC(=O)[O-])C(=O)NCc1cccc(N(C)C)n1	ZINC000909119100	613642790	/nfs/dbraw/zinc/64/27/90/613642790.db2.gz	IEFSZXCRPUFFBV-UHFFFAOYSA-N	-1	0	292.339	0.930	20	30		CCEDRM
C=CCN(CC(=O)[O-])C(=O)[C@@H]1OC[C@@H]2CCC[C@@H]21	ZINC000909516938	613643045	/nfs/dbraw/zinc/64/30/45/613643045.db2.gz	UOUVKJCZLKCQFI-JBLDHEPKSA-N	-1	0	253.298	0.901	20	30		CCEDRM
C=CCN(CC(=O)[O-])C(=O)[C@H](OC)[C@H]1CCOC1	ZINC000851603304	613643368	/nfs/dbraw/zinc/64/33/68/613643368.db2.gz	NVGQEYNURNJPFD-GXSJLCMTSA-N	-1	0	257.286	0.137	20	30		CCEDRM
C=CCN(CC(=O)[O-])C(=O)[C@H]1CCc2cnn(C)c2C1	ZINC000909515805	613643667	/nfs/dbraw/zinc/64/36/67/613643667.db2.gz	GSICNZYVAKHDRR-JTQLQIEISA-N	-1	0	277.324	0.624	20	30		CCEDRM
C=CCN(CC(=O)[O-])S(=O)(=O)c1cnn(C2CCC2)c1	ZINC000926475126	613644379	/nfs/dbraw/zinc/64/43/79/613644379.db2.gz	XYRKKPPQCFHMBN-UHFFFAOYSA-N	-1	0	299.352	0.869	20	30		CCEDRM
CC#CCOC(=O)CO[C@@H]1CCCN(C(=O)[O-])C1	ZINC000823522026	613645305	/nfs/dbraw/zinc/64/53/05/613645305.db2.gz	PVNLZACEVPXRPM-SNVBAGLBSA-N	-1	0	255.270	0.712	20	30		CCEDRM
CC#CCS(=O)(=O)[N-]C(=O)COC(C)(C)CC	ZINC000838870544	613645913	/nfs/dbraw/zinc/64/59/13/613645913.db2.gz	BTTFZLJMYKUXDB-UHFFFAOYSA-N	-1	0	261.343	0.661	20	30		CCEDRM
CC#CCS(=O)(=O)[N-]C(=O)C[C@@H](C)n1ccc(C)n1	ZINC000850999242	613646128	/nfs/dbraw/zinc/64/61/28/613646128.db2.gz	BLVJOAPSBRQYDC-LLVKDONJSA-N	-1	0	283.353	0.612	20	30		CCEDRM
CC#CCS(=O)(=O)[N-]C(=O)C[C@@H](C)[C@@H]1CCCO1	ZINC000851000748	613646163	/nfs/dbraw/zinc/64/61/63/613646163.db2.gz	YYXDKCHGLAYRBO-MNOVXSKESA-N	-1	0	273.354	0.661	20	30		CCEDRM
CC#CCS(=O)(=O)[N-]C(=O)[C@@H]1CCO[C@H](CC)C1	ZINC000810777805	613646823	/nfs/dbraw/zinc/64/68/23/613646823.db2.gz	PZZNXSFUFOVMMF-GHMZBOCLSA-N	-1	0	273.354	0.661	20	30		CCEDRM
CC#CCS(=O)(=O)[N-]C(=O)[C@@]1(C)CC1(F)F	ZINC000817733029	613646929	/nfs/dbraw/zinc/64/69/29/613646929.db2.gz	SFXMMTSYGBIWKC-MRVPVSSYSA-N	-1	0	251.254	0.501	20	30		CCEDRM
CC#CCS(=O)(=O)[N-]C(=O)c1cc(=O)[nH]c(C2CC2)c1	ZINC000810777434	613647365	/nfs/dbraw/zinc/64/73/65/613647365.db2.gz	GXFGSKUCODMJAV-UHFFFAOYSA-N	-1	0	294.332	0.748	20	30		CCEDRM
CC#CCS(=O)(=O)[N-]C(=O)c1cc(OC)cnc1F	ZINC000847700009	613647588	/nfs/dbraw/zinc/64/75/88/613647588.db2.gz	YNTYWFKPPMYJRS-UHFFFAOYSA-N	-1	0	286.284	0.312	20	30		CCEDRM
CC#CCS(=O)(=O)[N-]C(=O)c1cc(C)[nH]c(=O)c1	ZINC000810775661	613647633	/nfs/dbraw/zinc/64/76/33/613647633.db2.gz	OXLZUMBPVVRWKR-UHFFFAOYSA-N	-1	0	268.294	0.179	20	30		CCEDRM
C=CCN(Cn1nc(C(=O)[O-])cc1C(=O)OC)C1CC1	ZINC000833376263	613651970	/nfs/dbraw/zinc/65/19/70/613651970.db2.gz	PSJFXGQOPXQIKW-UHFFFAOYSA-N	-1	0	279.296	0.976	20	30		CCEDRM
C=CCN1C(=O)C(=O)N(C[C@@H]2CC(C(=O)[O-])=C(C)O2)C1=O	ZINC000833377512	613652159	/nfs/dbraw/zinc/65/21/59/613652159.db2.gz	ZRADXGGPZWQHTI-QMMMGPOBSA-N	-1	0	294.263	0.111	20	30		CCEDRM
CC(=NNCC(=O)[O-])c1cc(S(N)(=O)=O)c(C)cc1C	ZINC000814958769	613654505	/nfs/dbraw/zinc/65/45/05/613654505.db2.gz	QCZGYFQOPYSOHC-UHFFFAOYSA-N	-1	0	299.352	0.349	20	30		CCEDRM
CC(=O)NC1CCN(C(=O)[C@@](C)(C#N)CC(=O)[O-])CC1	ZINC000819737326	613702059	/nfs/dbraw/zinc/70/20/59/613702059.db2.gz	QIIPMCSNACFFQJ-CYBMUJFWSA-N	-1	0	281.312	0.118	20	30		CCEDRM
C=CCN1CCN(C(=O)c2ccc3oc(=O)nc-3[n-]2)CC1	ZINC000957314837	613716927	/nfs/dbraw/zinc/71/69/27/613716927.db2.gz	QKGFWPTYAOCQJN-UHFFFAOYSA-N	-1	0	288.307	0.872	20	30		CCEDRM
C=CCNC(=O)N1C[C@H](C(=O)[O-])C[C@@H](c2cnn(C)c2)C1	ZINC000864345476	613849220	/nfs/dbraw/zinc/84/92/20/613849220.db2.gz	XYBISBVTPGYBIR-GHMZBOCLSA-N	-1	0	292.339	0.806	20	30		CCEDRM
C=CCNC(=O)N1CCO[C@H]([C@@H](C)NC(=O)[O-])C1	ZINC000823506324	613849304	/nfs/dbraw/zinc/84/93/04/613849304.db2.gz	GNFQGJGEFKSRTE-BDAKNGLRSA-N	-1	0	257.290	0.239	20	30		CCEDRM
C=CCNC(=O)[C@@H](C)OC(=O)[C@]1(F)CCN(C(=O)[O-])C1	ZINC000823506274	613854268	/nfs/dbraw/zinc/85/42/68/613854268.db2.gz	FNSYXCOCIIHVJO-PELKAZGASA-N	-1	0	288.275	0.312	20	30		CCEDRM
C=CCNC(=S)N1CCC([C@H](O)C(=O)[O-])CC1	ZINC000833376698	613856469	/nfs/dbraw/zinc/85/64/69/613856469.db2.gz	PCFUTIUZUKGHCO-VIFPVBQESA-N	-1	0	258.343	0.204	20	30		CCEDRM
C=CCOCCCC(=O)[N-]S(=O)(=O)CC#CC	ZINC000810772324	613879829	/nfs/dbraw/zinc/87/98/29/613879829.db2.gz	YNZXPKQWBLSQCL-UHFFFAOYSA-N	-1	0	259.327	0.439	20	30		CCEDRM
C=CCOCC(=O)N1CCO[C@@H]([C@H](C)NC(=O)[O-])C1	ZINC000823516801	613879183	/nfs/dbraw/zinc/87/91/83/613879183.db2.gz	WAZHLGQQDUHUAU-VHSXEESVSA-N	-1	0	272.301	0.073	20	30		CCEDRM
C=CCOCC(=O)N1C[C@@H](OC)C[C@@]1(C)C(=O)[O-]	ZINC000910264621	613879330	/nfs/dbraw/zinc/87/93/30/613879330.db2.gz	OZBUOCOPJGTLAT-CABZTGNLSA-N	-1	0	257.286	0.280	20	30		CCEDRM
C=CCOCC(=O)N[C@@H](C(=O)[O-])c1cccc(O)c1	ZINC000833376215	613879354	/nfs/dbraw/zinc/87/93/54/613879354.db2.gz	YADZUVDTVCARSF-GFCCVEGCSA-N	-1	0	265.265	0.837	20	30		CCEDRM
C=CCOCC(=O)[N-]S(=O)(=O)[C@@H]1C[C@@H]2CC[C@H]1C2	ZINC000835744768	613879453	/nfs/dbraw/zinc/87/94/53/613879453.db2.gz	OEPPEZKUBNCNEH-OUAUKWLOSA-N	-1	0	273.354	0.824	20	30		CCEDRM
C=CCOCC(=O)N[C@](C)(Cn1cccn1)C(=O)[O-]	ZINC000908264140	613879545	/nfs/dbraw/zinc/87/95/45/613879545.db2.gz	LLIIUNHHAYSFJQ-GFCCVEGCSA-N	-1	0	267.285	0.045	20	30		CCEDRM
C=CCOCCCC(=O)[N-]S(=O)(=O)N(C)CCC	ZINC000153731078	613879828	/nfs/dbraw/zinc/87/98/28/613879828.db2.gz	RSSUEBFPNYBCFF-UHFFFAOYSA-N	-1	0	278.374	0.672	20	30		CCEDRM
C=CCOCCCC(=O)NCCCc1c[nH][nH]c1=O	ZINC000898734081	613879835	/nfs/dbraw/zinc/87/98/35/613879835.db2.gz	WBOKMPKBTCVGEQ-LLVKDONJSA-N	-1	0	267.329	0.597	20	30		CCEDRM
C=CCOCCNC(=O)C(=O)Nc1ccc(C(=O)[O-])cc1	ZINC000833376189	613880656	/nfs/dbraw/zinc/88/06/56/613880656.db2.gz	WNVBGGFWUPRSMS-UHFFFAOYSA-N	-1	0	292.291	0.642	20	30		CCEDRM
C=CCOCCNC(=O)N[C@H](CSC)C(=O)[O-]	ZINC000905539618	613881005	/nfs/dbraw/zinc/88/10/05/613881005.db2.gz	SAYJFABIOCQRMU-MRVPVSSYSA-N	-1	0	262.331	0.304	20	30		CCEDRM
C=CCOC[C@@H](NC(=O)C1(C)CCC(=O)CC1)C(=O)[O-]	ZINC000909772938	613881526	/nfs/dbraw/zinc/88/15/26/613881526.db2.gz	YPYHBLXPPBVIBZ-LLVKDONJSA-N	-1	0	283.324	0.908	20	30		CCEDRM
C=CCOC[C@@H](NC(=O)Cc1ccncc1C)C(=O)[O-]	ZINC000909765841	613881633	/nfs/dbraw/zinc/88/16/33/613881633.db2.gz	GDBJKODVTNQTHR-GFCCVEGCSA-N	-1	0	278.308	0.705	20	30		CCEDRM
C=CCOC[C@@H](NC(=O)[C@@]1(C)CCOC1)C(=O)[O-]	ZINC000909772893	613881809	/nfs/dbraw/zinc/88/18/09/613881809.db2.gz	XRDPIWUKKMBQEV-SKDRFNHKSA-N	-1	0	257.286	0.185	20	30		CCEDRM
C=CCOC[C@H]([N-]C(=O)C(F)(F)F)C(=O)OC	ZINC000797761592	613882214	/nfs/dbraw/zinc/88/22/14/613882214.db2.gz	HOWLFXHWJJAZOK-LURJTMIESA-N	-1	0	255.192	0.409	20	30		CCEDRM
C=CCOC[C@H](NC(=O)N[C@@H]1CCCSC1)C(=O)[O-]	ZINC000797727943	613882409	/nfs/dbraw/zinc/88/24/09/613882409.db2.gz	VCBGFAKIGUZIFJ-ZJUUUORDSA-N	-1	0	288.369	0.837	20	30		CCEDRM
C=CCO[N-]C(=O)COCCNC(=O)OC(C)(C)C	ZINC000837046230	613883198	/nfs/dbraw/zinc/88/31/98/613883198.db2.gz	HLQMTXKTIYCBPN-UHFFFAOYSA-N	-1	0	274.317	0.762	20	30		CCEDRM
C=CCO[N-]C(=O)CNC(=O)c1ccc(OC)c(OC)c1	ZINC000837045406	613883205	/nfs/dbraw/zinc/88/32/05/613883205.db2.gz	UWMQCPMREMJODA-UHFFFAOYSA-N	-1	0	294.307	0.667	20	30		CCEDRM
C=CCO[N-]C(=O)CN1C(=S)N=NC1CCC	ZINC000837046597	613883214	/nfs/dbraw/zinc/88/32/14/613883214.db2.gz	OLWHNLZCSDOBRR-UHFFFAOYSA-N	-1	0	256.331	0.753	20	30		CCEDRM
C=CCO[N-]C(=O)[C@H](C)N1C(=O)[C@H]2CCCC[C@@H]2C1=O	ZINC000837044549	613884502	/nfs/dbraw/zinc/88/45/02/613884502.db2.gz	OJTNLVJNKKUYMW-DCAQKATOSA-N	-1	0	280.324	0.784	20	30		CCEDRM
C=CCO[N-]C(=O)[C@H]1COc2ccc(O)cc2O1	ZINC000868764242	613884527	/nfs/dbraw/zinc/88/45/27/613884527.db2.gz	YPKDOPAKVVHKQV-LLVKDONJSA-N	-1	0	251.238	0.766	20	30		CCEDRM
C=CCS(=O)(=O)[N-]C(=O)C[C@@H](OC)C(F)(F)F	ZINC000845499710	613886167	/nfs/dbraw/zinc/88/61/67/613886167.db2.gz	WDJQSWBBWQHHMC-ZCFIWIBFSA-N	-1	0	275.248	0.586	20	30		CCEDRM
C=CCS(=O)(=O)[N-]C(=O)[C@@H](OCC)[C@H]1CCOC1	ZINC000870256557	613886190	/nfs/dbraw/zinc/88/61/90/613886190.db2.gz	IVMFYFNNJJMVCC-UWVGGRQHSA-N	-1	0	277.342	0.060	20	30		CCEDRM
C=CCS(=O)(=O)[N-]C(=O)[C@H](CCC(C)C)NC(C)=O	ZINC000850913988	613886225	/nfs/dbraw/zinc/88/62/25/613886225.db2.gz	YFCZHIBMWBASJM-NSHDSACASA-N	-1	0	290.385	0.559	20	30		CCEDRM
C=CCS(=O)(=O)[N-]C(=O)[C@H](C)N(C)CC(F)(F)F	ZINC000798846638	613886247	/nfs/dbraw/zinc/88/62/47/613886247.db2.gz	QPBPQLIZXQTOLJ-ZETCQYMHSA-N	-1	0	288.291	0.501	20	30		CCEDRM
C=CCS(=O)(=O)[N-]C(=O)c1cnn(C(C)(C)C)c1	ZINC000132733371	613886301	/nfs/dbraw/zinc/88/63/01/613886301.db2.gz	XWATWAIRODAMEM-UHFFFAOYSA-N	-1	0	271.342	0.884	20	30		CCEDRM
C=CCS(=O)(=O)[N-]C(=O)c1c(C)nn2cccnc12	ZINC000132779799	613886326	/nfs/dbraw/zinc/88/63/26/613886326.db2.gz	HIFKBWPXGFTOEQ-UHFFFAOYSA-N	-1	0	280.309	0.283	20	30		CCEDRM
CC(C)NC(=O)C(C#N)=C([O-])c1cn(C2CCC2)nn1	ZINC000842690100	613934343	/nfs/dbraw/zinc/93/43/43/613934343.db2.gz	NUKZRANBIRWZHI-SNVBAGLBSA-N	-1	0	275.312	0.850	20	30		CCEDRM
CC(C)OCCCNC(=O)C(C#N)=C([O-])c1cnnn1C	ZINC000798815221	614013035	/nfs/dbraw/zinc/01/30/35/614013035.db2.gz	LNLISIJNXVCKIY-SNVBAGLBSA-N	-1	0	293.327	0.069	20	30		CCEDRM
CC(C)(C)[C@H](C#N)NC(=O)C[C@H]1CN(C(=O)[O-])CCO1	ZINC000823755383	614032194	/nfs/dbraw/zinc/03/21/94/614032194.db2.gz	ZKSYXHHXGUHVQN-UWVGGRQHSA-N	-1	0	283.328	0.810	20	30		CCEDRM
CC(C)OC[C@H](C(=O)[O-])N(C)S(=O)(=O)CCCC#N	ZINC000827022069	614033075	/nfs/dbraw/zinc/03/30/75/614033075.db2.gz	RETGTYOBDKTHDZ-SNVBAGLBSA-N	-1	0	292.357	0.430	20	30		CCEDRM
CC(C)(C)[C@H](NC(=O)[O-])C(=O)OCC(=O)NCCC#N	ZINC000823854942	614035202	/nfs/dbraw/zinc/03/52/02/614035202.db2.gz	YVFTYMNRVMMOCH-SECBINFHSA-N	-1	0	285.300	0.242	20	30		CCEDRM
CC(C)SCC(=O)N1CCN(C(=O)[O-])C[C@H]1C#N	ZINC000824431851	614070112	/nfs/dbraw/zinc/07/01/12/614070112.db2.gz	UBZXFNFOHOYKPZ-SECBINFHSA-N	-1	0	271.342	0.842	20	30		CCEDRM
CC(C)[C@@H](CO)O[N-]C(=O)[C@H](O)c1ccc(C#N)cc1	ZINC000836891837	614104862	/nfs/dbraw/zinc/10/48/62/614104862.db2.gz	OYLDMIFYEMFHQK-CHWSQXEVSA-N	-1	0	278.308	0.656	20	30		CCEDRM
CC(C)C[C@@H](C#N)NC(=O)[C@H]1CN(C(=O)[O-])CCO1	ZINC000824170152	614179862	/nfs/dbraw/zinc/17/98/62/614179862.db2.gz	GIMFNGYAIQEZBE-VHSXEESVSA-N	-1	0	269.301	0.420	20	30		CCEDRM
CC(C)[C@H](CO)O[N-]C(=O)[C@]1(C#N)CCCOC1	ZINC000868728648	614214865	/nfs/dbraw/zinc/21/48/65/614214865.db2.gz	ZYAKYZPTNVMKPT-JQWIXIFHSA-N	-1	0	256.302	0.371	20	30		CCEDRM
CC(C)N(CC(=O)[O-])C(=O)Cc1ccc(C#N)nc1	ZINC000901554295	614287026	/nfs/dbraw/zinc/28/70/26/614287026.db2.gz	GVFWLPZJYRQNFK-UHFFFAOYSA-N	-1	0	261.281	0.817	20	30		CCEDRM
CC(C)(C#N)CS(=O)(=O)[N-]C(=O)[C@H]1C[C@@H]1C(F)F	ZINC000802127620	614287487	/nfs/dbraw/zinc/28/74/87/614287487.db2.gz	RUDLXEVWJSFCKD-BQBZGAKWSA-N	-1	0	280.296	0.883	20	30		CCEDRM
CC(C)N(CC(=O)[O-])CC(=O)N[C@](C)(C#N)C1CC1	ZINC000820009398	614288214	/nfs/dbraw/zinc/28/82/14/614288214.db2.gz	AFPMVQYFWPKIRU-CYBMUJFWSA-N	-1	0	267.329	0.590	20	30		CCEDRM
CC(C)c1cc(C(=O)[N-]S(=O)(=O)CCC#N)[nH]n1	ZINC000821582405	614302441	/nfs/dbraw/zinc/30/24/41/614302441.db2.gz	MIEARPGGCSQVPL-UHFFFAOYSA-N	-1	0	270.314	0.506	20	30		CCEDRM
CC(C)(C)C(=O)NCCC(=O)[N-]S(C)(=O)=O	ZINC000042280073	614342181	/nfs/dbraw/zinc/34/21/81/614342181.db2.gz	QWIFLHRLOSOXBW-UHFFFAOYSA-N	-1	0	250.320	0.455	20	30		CCEDRM
CC(C)c1nnc(CN(CC#N)CC(=O)[O-])n1C	ZINC000827168325	614333466	/nfs/dbraw/zinc/33/34/66/614333466.db2.gz	AKHBTNMKDOSYNX-UHFFFAOYSA-N	-1	0	251.290	0.349	20	30		CCEDRM
CC(C)N1C[C@@H](NC(=O)[C@](C)(C#N)CC(=O)[O-])CC1=O	ZINC000820025100	614394887	/nfs/dbraw/zinc/39/48/87/614394887.db2.gz	RAQPPWAMMLRIFP-ZANVPECISA-N	-1	0	281.312	0.116	20	30		CCEDRM
CC1CCN(CC(=O)N[C@H]2CCCN(O)C2=O)CC1	ZINC000816757348	614434973	/nfs/dbraw/zinc/43/49/73/614434973.db2.gz	QNYPVRCLHZNHPZ-NSHDSACASA-N	-1	0	269.345	0.215	20	30		CCEDRM
CCCCO[C@@H](C)C(=O)N1CCN(C(=O)[O-])C[C@H]1C#N	ZINC000826842854	614453562	/nfs/dbraw/zinc/45/35/62/614453562.db2.gz	YCANLGBTXAXWDZ-WDEREUQCSA-N	-1	0	283.328	0.906	20	30		CCEDRM
CCC[N@H+](C)CC(=O)N1CCN(C(=O)[O-])C[C@@H]1C#N	ZINC000826893649	614514536	/nfs/dbraw/zinc/51/45/36/614514536.db2.gz	XKPIBSNZKKZIRJ-JTQLQIEISA-N	-1	0	268.317	0.043	20	30		CCEDRM
C[C@@](C#N)(CC(=O)[O-])C(=O)N1CCC(C)(O)CC1	ZINC000820214975	614930808	/nfs/dbraw/zinc/93/08/08/614930808.db2.gz	NKMCGINTBUUHIV-NSHDSACASA-N	-1	0	254.286	0.364	20	30		CCEDRM
CCC[C@@H](C#N)NC(=O)CO[C@@H]1CCCN(C(=O)[O-])C1	ZINC000826705612	614971132	/nfs/dbraw/zinc/97/11/32/614971132.db2.gz	DYNGTZPRFYCFGH-WDEREUQCSA-N	-1	0	283.328	0.954	20	30		CCEDRM
CCN(CC)C(=O)[C@H](C)OC(=O)[C@](C)(C#N)CC(=O)[O-]	ZINC000820338718	614986103	/nfs/dbraw/zinc/98/61/03/614986103.db2.gz	PLLZPPJQEVQHML-ZANVPECISA-N	-1	0	284.312	0.791	20	30		CCEDRM
CCN(C[C@H](C)C#N)C(=O)CN(C)[C@H]1CCN(C(=O)[O-])C1	ZINC000827020506	615064449	/nfs/dbraw/zinc/06/44/49/615064449.db2.gz	VYCSTEIZSLHJPD-NEPJUHHUSA-N	-1	0	296.371	0.679	20	30		CCEDRM
CCOC(=O)C(C)(C)CC(=O)N[C@H]1CCN(O)C1=O	ZINC000820137737	615150386	/nfs/dbraw/zinc/15/03/86/615150386.db2.gz	QWCQRZJCMFSAMW-QMMMGPOBSA-N	-1	0	272.301	0.072	20	30		CCEDRM
CCOC(=O)CCCN1CCN(C(=O)[O-])C[C@@H]1C#N	ZINC000827305232	615172674	/nfs/dbraw/zinc/17/26/74/615172674.db2.gz	FAYNZBGTWKYPCK-JTQLQIEISA-N	-1	0	269.301	0.517	20	30		CCEDRM
CCO[N-]C(=O)CNC(=O)c1cc(C#N)oc1C	ZINC000846490221	615370724	/nfs/dbraw/zinc/37/07/24/615370724.db2.gz	HJZLJMLIDZYZBX-UHFFFAOYSA-N	-1	0	251.242	0.257	20	30		CCEDRM
CC[C@@H](C)NC(=O)CCNC(=O)[C@](C)(C#N)CC(=O)[O-]	ZINC000820266768	615458453	/nfs/dbraw/zinc/45/84/53/615458453.db2.gz	QQCMWYHKZPRAGG-RNCFNFMXSA-N	-1	0	283.328	0.412	20	30		CCEDRM
CC[C@@H](C)S(=O)(=O)[N-]C(=O)c1ccc(C#N)n1C	ZINC000835295908	615464594	/nfs/dbraw/zinc/46/45/94/615464594.db2.gz	NKZPLXNMCGVBMP-MRVPVSSYSA-N	-1	0	269.326	0.755	20	30		CCEDRM
CC[C@@H](CCO)CNC(=O)[C@@](C)(C#N)CC(=O)[O-]	ZINC000820278302	615471746	/nfs/dbraw/zinc/47/17/46/615471746.db2.gz	MBDVXYIKISIVGU-JOYOIKCWSA-N	-1	0	256.302	0.516	20	30		CCEDRM
CCO[C@H](C(=O)[N-]S(=O)(=O)CCC#N)C(C)C	ZINC000860752001	615471827	/nfs/dbraw/zinc/47/18/27/615471827.db2.gz	JGWMJMZPKLDKDV-VIFPVBQESA-N	-1	0	262.331	0.407	20	30		CCEDRM
CC[C@@H](CS(=O)(=O)[N-]c1nn(C)c(C)c1C#N)OC	ZINC000886412647	615495107	/nfs/dbraw/zinc/49/51/07/615495107.db2.gz	NMBWDTJLHMYPNJ-VIFPVBQESA-N	-1	0	286.357	0.767	20	30		CCEDRM
CC[C@@H](CS(=O)(=O)[N-]c1c(C#N)c(C)nn1C)OC	ZINC000903173705	615495192	/nfs/dbraw/zinc/49/51/92/615495192.db2.gz	UNXTWCAJXJMTCU-VIFPVBQESA-N	-1	0	286.357	0.767	20	30		CCEDRM
CCOc1nnc(CN2CCN(C(=O)[O-])C[C@@H]2C#N)s1	ZINC000827472545	615527176	/nfs/dbraw/zinc/52/71/76/615527176.db2.gz	VQASZLFKHIWOIJ-QMMMGPOBSA-N	-1	0	297.340	0.625	20	30		CCEDRM
CC[C@@H](NN=C1C(=O)Nc2cc(OC)c(F)cc21)C(=O)[O-]	ZINC000834981234	615536166	/nfs/dbraw/zinc/53/61/66/615536166.db2.gz	KLDMMLCSOKFTRO-MRVPVSSYSA-N	-1	0	295.270	0.943	20	30		CCEDRM
CC[C@@H](NN=C(C)c1cnc2ncccn12)C(=O)[O-]	ZINC000905470660	615536170	/nfs/dbraw/zinc/53/61/70/615536170.db2.gz	WDVPCERCGNLRBR-SECBINFHSA-N	-1	0	261.285	0.906	20	30		CCEDRM
CC[C@@H]1C[C@H]1C(=O)[N-]S(=O)(=O)CC1(C#N)CC1	ZINC000835294839	615576707	/nfs/dbraw/zinc/57/67/07/615576707.db2.gz	OQDDONQEZTZSTK-RKDXNWHRSA-N	-1	0	256.327	0.782	20	30		CCEDRM
CCc1ccc(CC(=O)[N-]S(=O)(=O)CCCC#N)nc1	ZINC000892926712	615672164	/nfs/dbraw/zinc/67/21/64/615672164.db2.gz	WVDIRIAVCOWLAL-UHFFFAOYSA-N	-1	0	295.364	0.936	20	30		CCEDRM
CC[C@H](C)[C@@H](NC(=O)CN(C)[C@@H](C)CC#N)C(=O)[O-]	ZINC000828709751	615684697	/nfs/dbraw/zinc/68/46/97/615684697.db2.gz	SWEQIUMOSUCSTK-JBLDHEPKSA-N	-1	0	269.345	0.836	20	30		CCEDRM
CC[C@H](C)[C@H](NC(=O)Nc1nn(C)cc1C#N)C(=O)[O-]	ZINC000820449163	615694248	/nfs/dbraw/zinc/69/42/48/615694248.db2.gz	LARAMFMWPNCXPS-CBAPKCEASA-N	-1	0	279.300	0.913	20	30		CCEDRM
CCc1nc(C=Nn2c(=O)[n-][nH]c2=O)c2ccccn12	ZINC000814233273	615738374	/nfs/dbraw/zinc/73/83/74/615738374.db2.gz	IYKFOGUZOFGPBJ-UHFFFAOYSA-N	-1	0	272.268	0.782	20	30		CCEDRM
CCc1nc(CN2CCN(C(=O)[O-])C[C@H]2C#N)no1	ZINC000827631002	615742369	/nfs/dbraw/zinc/74/23/69/615742369.db2.gz	CGVHDTCDINWTFV-MRVPVSSYSA-N	-1	0	265.273	0.320	20	30		CCEDRM
CC[C@H](NN=C1CCC2(CS(=O)(=O)C2)CC1)C(=O)[O-]	ZINC000901246270	615819902	/nfs/dbraw/zinc/81/99/02/615819902.db2.gz	MXTXSZWXIJGOHJ-JTQLQIEISA-N	-1	0	288.369	0.784	20	30		CCEDRM
CN(C(=O)[O-])[C@@H]1CCN(C(=O)C2(C#N)CCOCC2)C1	ZINC000827835888	615843251	/nfs/dbraw/zinc/84/32/51/615843251.db2.gz	SIJSXDXXWRFDGK-SNVBAGLBSA-N	-1	0	281.312	0.517	20	30		CCEDRM
CCn1cc(NC(=O)[C@@](C)(C#N)CC(=O)[O-])ccc1=O	ZINC000820511484	616006466	/nfs/dbraw/zinc/00/64/66/616006466.db2.gz	UDOLLVZDFPRJNI-CYBMUJFWSA-N	-1	0	277.280	0.811	20	30		CCEDRM
CN(C)c1ccc2c(c1)NC(=O)C2=N[N-]c1nc[nH]n1	ZINC000807997016	616020097	/nfs/dbraw/zinc/02/00/97/616020097.db2.gz	PTNATQFLMNOZJX-UHFFFAOYSA-N	-1	0	271.284	0.639	20	30		CCEDRM
CN(C)c1cnc(C([O-])=C(C#N)C(=O)N2CCCC2)cn1	ZINC000847621156	616031961	/nfs/dbraw/zinc/03/19/61/616031961.db2.gz	IEFZLNFJOKVGGC-SNVBAGLBSA-N	-1	0	287.323	0.487	20	30		CCEDRM
CCn1ccc(NC(=O)N[C@@H]2CCCN(O)C2=O)n1	ZINC000880094961	616033899	/nfs/dbraw/zinc/03/38/99/616033899.db2.gz	SVMCKKAQHOGHKS-MRVPVSSYSA-N	-1	0	267.289	0.405	20	30		CCEDRM
CN(C)c1ncccc1CNC(=O)[C@@](C)(C#N)CC(=O)[O-]	ZINC000820554340	616037338	/nfs/dbraw/zinc/03/73/38/616037338.db2.gz	MXQCDXLZTUQKDE-CQSZACIVSA-N	-1	0	290.323	0.768	20	30		CCEDRM
CN(Cc1ccon1)C(=O)[C@@](C)(C#N)CC(=O)[O-]	ZINC000820607475	616087354	/nfs/dbraw/zinc/08/73/54/616087354.db2.gz	GHVOLCKAWDQGGF-LLVKDONJSA-N	-1	0	251.242	0.638	20	30		CCEDRM
CN([C@@H]1CCN(C(=O)[O-])C1)S(=O)(=O)CCCC#N	ZINC000828086040	616114713	/nfs/dbraw/zinc/11/47/13/616114713.db2.gz	OEMBAOBVVXVSLG-SECBINFHSA-N	-1	0	275.330	0.304	20	30		CCEDRM
COC(=O)[C@@H](c1cccc(C#N)c1)N(C)CC(=O)[O-]	ZINC000820653522	616276772	/nfs/dbraw/zinc/27/67/72/616276772.db2.gz	LFDDPAYQQAVPBH-GFCCVEGCSA-N	-1	0	262.265	0.789	20	30		CCEDRM
COCCOCCS(=O)(=O)[N-]C(=O)CCCCC#N	ZINC000847665337	616555032	/nfs/dbraw/zinc/55/50/32/616555032.db2.gz	RTGBLOFIHBYSDP-UHFFFAOYSA-N	-1	0	292.357	0.179	20	30		CCEDRM
COC(=O)[C@H](OC(=O)c1cn[nH]n1)c1cccc(C#N)c1	ZINC000805604018	616643571	/nfs/dbraw/zinc/64/35/71/616643571.db2.gz	SUKQXVWAGPVDCO-LLVKDONJSA-N	-1	0	286.247	0.747	20	30		CCEDRM
COC[C@](C)(C#N)NC(=O)[C@H]1CCC[C@@H](NC(=O)[O-])C1	ZINC000828885830	616817266	/nfs/dbraw/zinc/81/72/66/616817266.db2.gz	OXJDXRZXQWBFPM-CWSCBRNRSA-N	-1	0	283.328	0.858	20	30		CCEDRM
COC(=O)c1cc(C([O-])=C(C#N)C(=O)NC(C)C)c[nH]1	ZINC000815909659	616834794	/nfs/dbraw/zinc/83/47/94/616834794.db2.gz	FNEJYUXPGWXMBE-VIFPVBQESA-N	-1	0	277.280	0.648	20	30		CCEDRM
COC[C@@H](C)Oc1ccc(C=Nn2c(=O)[n-][nH]c2=O)cc1	ZINC000853349465	616836980	/nfs/dbraw/zinc/83/69/80/616836980.db2.gz	ZAJZRXVXPZBBOC-SECBINFHSA-N	-1	0	292.295	0.985	20	30		CCEDRM
CNC(=O)[C@H](C#N)C(=O)[C@@H]1CCC[C@@H](NC(=O)[O-])C1	ZINC000828520985	616838708	/nfs/dbraw/zinc/83/87/08/616838708.db2.gz	RRRKWSCWXJBHPN-IWSPIJDZSA-N	-1	0	267.285	0.268	20	30		CCEDRM
COCCC1(C(=O)[N-]S(=O)(=O)CCC#N)CC1	ZINC000821582836	616839833	/nfs/dbraw/zinc/83/98/33/616839833.db2.gz	ZBQCQVVEUAAEIP-UHFFFAOYSA-N	-1	0	260.315	0.163	20	30		CCEDRM
COC(=O)c1ccc(C(=O)[N-]S(C)(=O)=O)cc1	ZINC000042279020	616873389	/nfs/dbraw/zinc/87/33/89/616873389.db2.gz	HBCNSRSHFHPWAD-UHFFFAOYSA-N	-1	0	257.267	0.737	20	30		CCEDRM
COC[C@@H](NC(=O)C1(C#N)CCSCC1)C(=O)[O-]	ZINC000907648535	616879909	/nfs/dbraw/zinc/87/99/09/616879909.db2.gz	GNVUQSDZABXSBY-MRVPVSSYSA-N	-1	0	272.326	0.239	20	30		CCEDRM
COCCCNC(=O)C(C#N)=C([O-])c1ccc(OC)nc1	ZINC000916871017	616902374	/nfs/dbraw/zinc/90/23/74/616902374.db2.gz	PUDLEJIMPIJBPF-LLVKDONJSA-N	-1	0	291.307	0.565	20	30		CCEDRM
COC(=O)[C@@H](CC(=O)[O-])NC(=O)c1ccc(C#N)s1	ZINC000831066957	616953415	/nfs/dbraw/zinc/95/34/15/616953415.db2.gz	LZAZWEBDOOPOIS-SSDOTTSWSA-N	-1	0	282.277	0.366	20	30		CCEDRM
COCCN(CCC#N)C(=O)[C@H]1CC[C@H](NC(=O)[O-])C1	ZINC000828979589	616992186	/nfs/dbraw/zinc/99/21/86/616992186.db2.gz	INMVALMOGIEJDA-QWRGUYRKSA-N	-1	0	283.328	0.811	20	30		CCEDRM
COCCN(CCC#N)C[C@H]1CCN(C(=O)[O-])C1	ZINC000828980085	616993130	/nfs/dbraw/zinc/99/31/30/616993130.db2.gz	SBQPVNNMKVTVIN-LLVKDONJSA-N	-1	0	255.318	0.848	20	30		CCEDRM
COC[C@@](C)(C#N)NC(=O)c1[nH]c(C)c(C(=O)[O-])c1C	ZINC000831540907	617011164	/nfs/dbraw/zinc/01/11/64/617011164.db2.gz	HTXYHULXDYJUPN-CYBMUJFWSA-N	-1	0	279.296	0.988	20	30		CCEDRM
COC[C@@](C)(C#N)NC(=O)CC(C)(C)NC(=O)[O-]	ZINC000828885953	617011227	/nfs/dbraw/zinc/01/12/27/617011227.db2.gz	QSZXISIZGOKTCU-LLVKDONJSA-N	-1	0	257.290	0.468	20	30		CCEDRM
COC[C@@](C)(NC(=O)Cc1cccc(C#N)c1)C(=O)[O-]	ZINC000831613612	617020737	/nfs/dbraw/zinc/02/07/37/617020737.db2.gz	YSXDNIJTZQXSFV-CQSZACIVSA-N	-1	0	276.292	0.707	20	30		CCEDRM
COC[C@@](C)(NC(=O)c1cc(C#N)c[nH]1)C(=O)[O-]	ZINC000831612486	617022700	/nfs/dbraw/zinc/02/27/00/617022700.db2.gz	BRGVNZLDZJBDRQ-LLVKDONJSA-N	-1	0	251.242	0.106	20	30		CCEDRM
COC[C@@]1(C(=O)[O-])CCCN(C(=O)C(C)(C)C#N)C1	ZINC000923080768	617035761	/nfs/dbraw/zinc/03/57/61/617035761.db2.gz	IRVGKCAQZZLFCE-CYBMUJFWSA-N	-1	0	268.313	0.876	20	30		CCEDRM
COC[C@H](C#N)OC(=O)[C@@H]1CC[C@H](NC(=O)[O-])C1	ZINC000833881717	617047280	/nfs/dbraw/zinc/04/72/80/617047280.db2.gz	CEKMFUGGVDBUFO-VGMNWLOBSA-N	-1	0	256.258	0.504	20	30		CCEDRM
CO[C@H]1CC[C@@H](C(=O)[N-]S(=O)(=O)CCCC#N)C1	ZINC000850927057	617102061	/nfs/dbraw/zinc/10/20/61/617102061.db2.gz	YEGVZZHFOUQTFW-ZJUUUORDSA-N	-1	0	274.342	0.551	20	30		CCEDRM
CON=CC(=O)Nc1ccc(-c2nc(=O)o[n-]2)cc1	ZINC000809666072	617106203	/nfs/dbraw/zinc/10/62/03/617106203.db2.gz	MHRQCXYQYSOIPN-UHFFFAOYSA-N	-1	0	262.225	0.601	20	30		CCEDRM
CO[N-]C(=O)C(=O)Nc1ccc(Br)c(C#N)c1	ZINC000815614376	617107009	/nfs/dbraw/zinc/10/70/09/617107009.db2.gz	PFDMXAKWDKDMQB-UHFFFAOYSA-N	-1	0	298.096	0.937	20	30		CCEDRM
CO[C@@H](C)CS(=O)(=O)[N-]c1ccncc1C#N	ZINC000903149747	617159258	/nfs/dbraw/zinc/15/92/58/617159258.db2.gz	FBLHMQBKGRSTNK-QMMMGPOBSA-N	-1	0	255.299	0.152	20	30		CCEDRM
CO[C@@H](C)c1noc(COC(=O)[C@](C)(C#N)CC(=O)[O-])n1	ZINC000820697047	617161076	/nfs/dbraw/zinc/16/10/76/617161076.db2.gz	RATNPIJQSLFMNE-MADCSZMMSA-N	-1	0	297.267	0.825	20	30		CCEDRM
CC[C@@H](CNS(=O)(=O)c1cncc(C#N)c1)C(=O)[O-]	ZINC000311965201	625300372	/nfs/dbraw/zinc/30/03/72/625300372.db2.gz	LXARXGCDGIYSOV-VIFPVBQESA-N	-1	0	283.309	0.342	20	30		CCEDRM
C[C@H](O)CN(C)N=Cc1ccc(O)c(C(=O)[O-])c1	ZINC000841650713	625326631	/nfs/dbraw/zinc/32/66/31/625326631.db2.gz	OVFWSLFIXYPNLT-QMMMGPOBSA-N	-1	0	252.270	0.737	20	30		CCEDRM
CC(C)c1cc(C(=O)[N-]S(=O)(=O)CCCC#N)nn1C	ZINC000181273095	625370013	/nfs/dbraw/zinc/37/00/13/625370013.db2.gz	CMYBLMSVADPHLJ-UHFFFAOYSA-N	-1	0	298.368	0.907	20	30		CCEDRM
C#C[C@@H](C)NS(=O)(=O)c1c(C)oc(C)c1C(=O)[O-]	ZINC000158967247	623063516	/nfs/dbraw/zinc/06/35/16/623063516.db2.gz	UBGBGGDAWRJWES-ZCFIWIBFSA-N	-1	0	271.294	0.895	20	30		CCEDRM
C[C@H]1CO[C@H](C(=O)[N-]S(=O)(=O)c2ccc(C#N)cc2)C1	ZINC000892413827	623184842	/nfs/dbraw/zinc/18/48/42/623184842.db2.gz	ITLKPSVAJPKBJK-SKDRFNHKSA-N	-1	0	294.332	0.788	20	30		CCEDRM
N#CCCNS(=O)(=O)c1ccc(C(=O)[O-])cc1F	ZINC000092114687	623497956	/nfs/dbraw/zinc/49/79/56/623497956.db2.gz	HEJZMXUIMFTFSE-UHFFFAOYSA-N	-1	0	272.257	0.716	20	30		CCEDRM
C=CCN(CC(=O)[O-])C(=O)N[C@H](C)c1cn[nH]c1	ZINC000229753493	623561666	/nfs/dbraw/zinc/56/16/66/623561666.db2.gz	KYIGFKGGTUBLAF-MRVPVSSYSA-N	-1	0	252.274	0.753	20	30		CCEDRM
CCOCCCNC(=O)C(C#N)=C([O-])c1cnn(C)c1C	ZINC000124281832	625675524	/nfs/dbraw/zinc/67/55/24/625675524.db2.gz	DWRSZYJNWAHBKS-NSHDSACASA-N	-1	0	292.339	0.594	20	30		CCEDRM
N#CCCCS(=O)(=O)[N-]C(=O)[C@@H]1OC[C@@H]2CCC[C@@H]21	ZINC000892924608	623865009	/nfs/dbraw/zinc/86/50/09/623865009.db2.gz	AFZGFRBZYKPWGU-GARJFASQSA-N	-1	0	286.353	0.551	20	30		CCEDRM
N#CCNC(=O)CNC(=O)c1cccc(Cl)c1[O-]	ZINC000804820919	624639978	/nfs/dbraw/zinc/63/99/78/624639978.db2.gz	SMDFNOCISXFUIG-UHFFFAOYSA-N	-1	0	267.672	0.415	20	30		CCEDRM
CNC(=O)C(C#N)=C([O-])c1nnn(-c2ccc(C)cc2)c1C	ZINC000125681910	630861621	/nfs/dbraw/zinc/86/16/21/630861621.db2.gz	YBYCEBNUSXZONW-LBPRGKRZSA-N	-1	0	297.318	0.953	20	30		CCEDRM
N#CCCNS(=O)(=O)c1ccc(CC(=O)[O-])cc1	ZINC000054156422	631629903	/nfs/dbraw/zinc/62/99/03/631629903.db2.gz	AHPIMNDYQJOJFW-UHFFFAOYSA-N	-1	0	268.294	0.506	20	30		CCEDRM
CC#CC[C@H](CO)N=c1nn[n-]n1Cc1ccccc1	ZINC000894366658	631732064	/nfs/dbraw/zinc/73/20/64/631732064.db2.gz	NAORIUHTPBJRNO-CYBMUJFWSA-N	-1	0	271.324	0.330	20	30		CCEDRM
C#C[C@H](C)NC(=O)c1ccc2c(c1)[n-]c(=S)[nH]c2=O	ZINC000186326020	631966046	/nfs/dbraw/zinc/96/60/46/631966046.db2.gz	GGOVMGYQJOHACO-ZETCQYMHSA-N	-1	0	273.317	0.963	20	30		CCEDRM
CC1(S(=O)(=O)N2CCC[C@H](C#CC(=O)[O-])C2)CC1	ZINC000899925407	633923418	/nfs/dbraw/zinc/92/34/18/633923418.db2.gz	CQMDLPOUDUMMMB-SNVBAGLBSA-N	-1	0	271.338	0.669	20	30		CCEDRM
N#C[C@@H]1CCCN(C(=O)CNC(=O)c2ccc(O)cc2)C1	ZINC000900632131	634059455	/nfs/dbraw/zinc/05/94/55/634059455.db2.gz	IEIVUJLKZHFGCV-NSHDSACASA-N	-1	0	287.319	0.884	20	30		CCEDRM
Cc1ccc(C=NNCCS(C)(=O)=O)cc1C(=O)[O-]	ZINC000901196821	634206353	/nfs/dbraw/zinc/20/63/53/634206353.db2.gz	SKILZLBTCGNOJN-UHFFFAOYSA-N	-1	0	284.337	0.661	20	30		CCEDRM
CC(C)OCCNN=Cc1cc(C(=O)[O-])nn1C	ZINC000901216315	634209902	/nfs/dbraw/zinc/20/99/02/634209902.db2.gz	XRAHMBRPFRWHEA-UHFFFAOYSA-N	-1	0	254.290	0.467	20	30		CCEDRM
O=C([O-])Cn1cc(C=NNC2CCC(F)(F)CC2)nn1	ZINC000901341875	634231042	/nfs/dbraw/zinc/23/10/42/634231042.db2.gz	QWKRBPNGZIGJEH-UHFFFAOYSA-N	-1	0	287.270	0.864	20	30		CCEDRM
C[C@H](C(=O)[O-])C1CN(S(=O)(=O)CC(C)(C)C#N)C1	ZINC000905993549	634945277	/nfs/dbraw/zinc/94/52/77/634945277.db2.gz	FYVZCFFRETVCBP-QMMMGPOBSA-N	-1	0	274.342	0.518	20	30		CCEDRM
N#C[C@]1(C(=O)N[C@@H](CC(=O)[O-])C2CC2)CCCOC1	ZINC000907583676	635158469	/nfs/dbraw/zinc/15/84/69/635158469.db2.gz	CJZNTLSWWCYYQO-GXFFZTMASA-N	-1	0	266.297	0.676	20	30		CCEDRM
C#Cc1cncc(C(=O)N2C[C@@H](C)O[C@@H](C(=O)[O-])C2)c1	ZINC000909897803	635639486	/nfs/dbraw/zinc/63/94/86/635639486.db2.gz	YHEVCYHEXLUYAE-BXKDBHETSA-N	-1	0	274.276	0.377	20	30		CCEDRM
N#Cc1ccc(OCC(=O)N2CC([C@H](F)C(=O)[O-])C2)cc1	ZINC000910136314	635690947	/nfs/dbraw/zinc/69/09/47/635690947.db2.gz	LNQZYZKSKRQILJ-ZDUSSCGKSA-N	-1	0	292.266	0.818	20	30		CCEDRM
CC#CCN1CC[C@@H](NC(=O)c2[nH]nc(C)c2[O-])C1	ZINC001010643379	650245898	/nfs/dbraw/zinc/24/58/98/650245898.db2.gz	UXGHAJFMKCRNAM-SNVBAGLBSA-N	-1	0	262.313	0.251	20	30		CCEDRM
C=CC[C@H](CO)CNC(=O)C12CC(C(=O)[O-])(C1)C2	ZINC000911652045	636334689	/nfs/dbraw/zinc/33/46/89/636334689.db2.gz	XWFCUJAISLOTCH-ALXWSUNGSA-N	-1	0	253.298	0.542	20	30		CCEDRM
C#CCOCCC(=O)[N-]S(=O)(=O)C[C@H](C)CCC	ZINC000166485909	636926943	/nfs/dbraw/zinc/92/69/43/636926943.db2.gz	JGDRJPPORJYCPK-LLVKDONJSA-N	-1	0	275.370	0.909	20	30		CCEDRM
C#CCSCCNC(=O)[C@H]1CC[C@@H](C(=O)[O-])O1	ZINC000231937159	637235836	/nfs/dbraw/zinc/23/58/36/637235836.db2.gz	DRACMMYFGLSVNU-BDAKNGLRSA-N	-1	0	257.311	0.101	20	30		CCEDRM
Cc1n[nH]c(C(=O)N[C@H]2CCCN(CC#N)[C@@H]2C)c1[O-]	ZINC000993221148	637749528	/nfs/dbraw/zinc/74/95/28/637749528.db2.gz	LGZGYCDOQCSNPO-ZJUUUORDSA-N	-1	0	277.328	0.530	20	30		CCEDRM
Cc1cc([O-])cc2c1C(=O)C(=NN1CCN(C)CC1)O2	ZINC000915933808	637881119	/nfs/dbraw/zinc/88/11/19/637881119.db2.gz	JWBRALFJJCXYBU-UHFFFAOYSA-N	-1	0	275.308	0.837	20	30		CCEDRM
O=[N+]([O-])c1cc(C=NN[C@H]2CCS(=O)(=O)C2)ccc1[O-]	ZINC000916239791	637893944	/nfs/dbraw/zinc/89/39/44/637893944.db2.gz	LNSBBCUHSVASOU-VIFPVBQESA-N	-1	0	299.308	0.411	20	30		CCEDRM
O=C([O-])COc1ccc(C=NN2CCOCC2)cc1	ZINC000916289631	637895574	/nfs/dbraw/zinc/89/55/74/637895574.db2.gz	KGODGAIFCOIFNH-UHFFFAOYSA-N	-1	0	264.281	0.816	20	30		CCEDRM
COC(=O)N[C@@H](CC(C)C)C(=O)[N-]S(C)(=O)=O	ZINC000064666229	638205720	/nfs/dbraw/zinc/20/57/20/638205720.db2.gz	HZXFTNATCWEDLC-ZETCQYMHSA-N	-1	0	266.319	0.673	20	30		CCEDRM
COc1cccc(CC(=O)[N-]S(=O)(=O)CCCC#N)c1	ZINC000181300035	638334509	/nfs/dbraw/zinc/33/45/09/638334509.db2.gz	ZDSFGDVXZBCWJU-UHFFFAOYSA-N	-1	0	296.348	0.987	20	30		CCEDRM
C[C@@H](CC(=O)[O-])NS(=O)(=O)c1cccc(F)c1C#N	ZINC000070393962	638483251	/nfs/dbraw/zinc/48/32/51/638483251.db2.gz	XLGRZMBJNIUKSB-ZETCQYMHSA-N	-1	0	286.284	0.839	20	30		CCEDRM
C#CCSCCNC(=O)N(CC=C)CC(=O)[O-]	ZINC000231959576	638779451	/nfs/dbraw/zinc/77/94/51/638779451.db2.gz	XNFWUWNACJPYEP-UHFFFAOYSA-N	-1	0	256.327	0.635	20	30		CCEDRM
C[C@@H]1CN(C(=O)[C@@]2(C#N)CCCOC2)CC[C@@H]1C(=O)[O-]	ZINC000923084902	640019148	/nfs/dbraw/zinc/01/91/48/640019148.db2.gz	NCUWYPXMWXVGPX-UHIISALHSA-N	-1	0	280.324	0.876	20	30		CCEDRM
C[C@@]1(C(=O)[O-])CN(C(=O)[C@]2(C#N)CCCOC2)CCO1	ZINC000923102583	640022159	/nfs/dbraw/zinc/02/21/59/640022159.db2.gz	XPQREQOLECWTHJ-STQMWFEESA-N	-1	0	282.296	0.009	20	30		CCEDRM
N#CCCCCCC(=O)[N-]S(=O)(=O)N1CCOCC1	ZINC000805887877	640439297	/nfs/dbraw/zinc/43/92/97/640439297.db2.gz	JOARKGHVYKJQOL-UHFFFAOYSA-N	-1	0	289.357	0.154	20	30		CCEDRM
N#CCCCCS(=O)(=O)N[C@H](CC1CC1)C(=O)[O-]	ZINC000806640737	640795019	/nfs/dbraw/zinc/79/50/19/640795019.db2.gz	VDSLJJJUVJWSNQ-SNVBAGLBSA-N	-1	0	274.342	0.853	20	30		CCEDRM
Cn1nncc1CNC(=O)c1cc(O)cc(C#N)c1	ZINC000811530970	640979971	/nfs/dbraw/zinc/97/99/71/640979971.db2.gz	WGGIXCHMEACNJL-UHFFFAOYSA-N	-1	0	257.253	0.322	20	30		CCEDRM
N#Cc1cncc(S(=O)(=O)[N-]C(=O)c2cscn2)c1	ZINC000813980400	641051258	/nfs/dbraw/zinc/05/12/58/641051258.db2.gz	DPJMTKKLSVNXEC-UHFFFAOYSA-N	-1	0	294.317	0.528	20	30		CCEDRM
Cc1ncoc1C(=O)[N-]S(=O)(=O)c1cncc(C#N)c1	ZINC000813982356	641051549	/nfs/dbraw/zinc/05/15/49/641051549.db2.gz	XBKMTKDPALVXSF-UHFFFAOYSA-N	-1	0	292.276	0.368	20	30		CCEDRM
O=C1[N-]C(=O)C(=NNCc2ccccc2Cl)C(=O)N1	ZINC000814218743	641059741	/nfs/dbraw/zinc/05/97/41/641059741.db2.gz	GZERXMWZLQEXDS-UHFFFAOYSA-N	-1	0	280.671	0.152	20	30		CCEDRM
O=c1[n-][nH]c(=O)n1N=Cc1ccc(O)c(Cl)c1	ZINC000814232559	641062095	/nfs/dbraw/zinc/06/20/95/641062095.db2.gz	BWWLFNAYKUSKTG-UHFFFAOYSA-N	-1	0	254.633	0.931	20	30		CCEDRM
O=c1[n-][nH]c(=O)n1N=Cc1cn2cccc(F)c2n1	ZINC000814233618	641062236	/nfs/dbraw/zinc/06/22/36/641062236.db2.gz	YYDNYTJUBKORJP-UHFFFAOYSA-N	-1	0	262.204	0.358	20	30		CCEDRM
Cn1ncc(Br)c1C=Nn1c(=O)[n-][nH]c1=O	ZINC000814234471	641062240	/nfs/dbraw/zinc/06/22/40/641062240.db2.gz	YSILLESMUYLMPJ-UHFFFAOYSA-N	-1	0	287.077	0.068	20	30		CCEDRM
O=c1[n-][nH]c(=O)n1N=Cc1c[nH]c(-c2ccccc2)n1	ZINC000814233496	641062337	/nfs/dbraw/zinc/06/23/37/641062337.db2.gz	SKSQQAKMNURPPU-UHFFFAOYSA-N	-1	0	270.252	0.962	20	30		CCEDRM
Cc1cc2c(c(F)c1)NC(=O)C2=NNCC(=O)[O-]	ZINC000814960844	641084730	/nfs/dbraw/zinc/08/47/30/641084730.db2.gz	WLIICMGQFDRWBR-UHFFFAOYSA-N	-1	0	251.217	0.465	20	30		CCEDRM
Cc1nn(C)c(OCC(F)(F)F)c1C=NNCC(=O)[O-]	ZINC000814960118	641085027	/nfs/dbraw/zinc/08/50/27/641085027.db2.gz	LHRDHWDOFCUZJH-UHFFFAOYSA-N	-1	0	294.233	0.678	20	30		CCEDRM
O=C(N[C@H]1CCN(O)C1=O)[C@H]1CCc2ccccc2O1	ZINC000820131542	641464007	/nfs/dbraw/zinc/46/40/07/641464007.db2.gz	JKLGLUMCYRCFDQ-CMPLNLGQSA-N	-1	0	276.292	0.487	20	30		CCEDRM
N#Cc1ccccc1C=CC(=O)Nn1c(=O)[n-][nH]c1=O	ZINC000820291334	641494372	/nfs/dbraw/zinc/49/43/72/641494372.db2.gz	FMLCIWMCZVMVSE-WAYWQWQTSA-N	-1	0	271.236	0.344	20	30		CCEDRM
O=C(N[C@@H]1CCCN(O)C1=O)c1cc(F)c([O-])c(F)c1	ZINC000820471056	641507876	/nfs/dbraw/zinc/50/78/76/641507876.db2.gz	LYZWDGGYKCGTPN-SECBINFHSA-N	-1	0	286.234	0.780	20	30		CCEDRM
Cc1nc(C)c(/C=C/C(=O)c2cnc([O-])n(C)c2=O)o1	ZINC000821039122	641558428	/nfs/dbraw/zinc/55/84/28/641558428.db2.gz	PKHPSQBXSNINDX-SNAWJCMRSA-N	-1	0	275.264	0.987	20	30		CCEDRM
N#CC[C@]1(O)CCN(CC(=O)[N-]OCc2ccccc2)C1	ZINC000829991048	642214940	/nfs/dbraw/zinc/21/49/40/642214940.db2.gz	CBLZQJUBEPMBFS-HNNXBMFYSA-N	-1	0	289.335	0.585	20	30		CCEDRM
C[C@H](CS(=O)(=O)N1CCC(CC#N)CC1)C(=O)[O-]	ZINC000833520324	642538254	/nfs/dbraw/zinc/53/82/54/642538254.db2.gz	TURKHJKZPPIQNN-SECBINFHSA-N	-1	0	274.342	0.663	20	30		CCEDRM
N#Cc1cccc(S(=O)(=O)[N-]C(=O)[C@H]2CCC(=O)C2)c1	ZINC000842676822	642931659	/nfs/dbraw/zinc/93/16/59/642931659.db2.gz	NFGQMVBHKANCFO-JTQLQIEISA-N	-1	0	292.316	0.732	20	30		CCEDRM
NC(=O)[C@H]1C[C@@H](/N=C/c2cc([N+](=O)[O-])ccc2[O-])C1	ZINC000844272164	643194651	/nfs/dbraw/zinc/19/46/51/643194651.db2.gz	VUVULYPRMDELEH-KGHCOLEYSA-N	-1	0	263.253	0.983	20	30		CCEDRM
N#CCCS(=O)(=O)[N-]C(=O)[C@@H]1C[C@@H]2C=C[C@H]1CC2	ZINC000845560971	643328671	/nfs/dbraw/zinc/32/86/71/643328671.db2.gz	POASZFVDCHCBSI-OUAUKWLOSA-N	-1	0	268.338	0.948	20	30		CCEDRM
Cc1nn(C)c(C)c1S(=O)(=O)[N-]C(=O)[C@H](C)CC#N	ZINC000850736488	643810069	/nfs/dbraw/zinc/81/00/69/643810069.db2.gz	IFRLYBIJTXAKEF-SSDOTTSWSA-N	-1	0	284.341	0.392	20	30		CCEDRM
N#CCCCS(=O)(=O)[N-]C(=O)c1ncccc1F	ZINC000850926480	643822947	/nfs/dbraw/zinc/82/29/47/643822947.db2.gz	NAZGUBSQIZDDFO-UHFFFAOYSA-N	-1	0	271.273	0.584	20	30		CCEDRM
N#Cc1cncc(S(=O)(=O)[N-]C(=O)C2CC3(CC3)C2)c1	ZINC000851041890	643828961	/nfs/dbraw/zinc/82/89/61/643828961.db2.gz	YDBWNNQPAWNAGI-UHFFFAOYSA-N	-1	0	291.332	0.948	20	30		CCEDRM
N#Cc1nc(F)ccc1O[C@H]1CCN(CC(=O)[O-])C1=O	ZINC000853002470	644067317	/nfs/dbraw/zinc/06/73/17/644067317.db2.gz	NEKCNBZOXLGZPW-VIFPVBQESA-N	-1	0	279.227	0.157	20	30		CCEDRM
COC[C@@H](C#N)OC(=O)C(C)(C)[N-]C(=O)C(F)(F)F	ZINC000857067795	644460631	/nfs/dbraw/zinc/46/06/31/644460631.db2.gz	RHRMDGSHZQJTSG-ZCFIWIBFSA-N	-1	0	282.218	0.525	20	30		CCEDRM
C[C@H]1C(N=NC2=NCC(=O)N2)CC[C@H](C(=O)[O-])C1(C)C	ZINC000863177264	645066863	/nfs/dbraw/zinc/06/68/63/645066863.db2.gz	LPEWHLBIDWQOKW-JGVFFNPUSA-N	-1	0	280.328	0.575	20	30		CCEDRM
C[C@]1([N-]C(=O)C(F)(F)F)CCN(c2ccc(C#N)nn2)C1	ZINC000866281903	645512648	/nfs/dbraw/zinc/51/26/48/645512648.db2.gz	CPODPDKGAHQVEO-NSHDSACASA-N	-1	0	299.256	0.996	20	30		CCEDRM
Cn1ccnc1C([O-])=C(C#N)C(=O)COCC1CC1	ZINC000122863507	645940712	/nfs/dbraw/zinc/94/07/12/645940712.db2.gz	JMNLFDYAYHYTLH-SNVBAGLBSA-N	-1	0	261.281	0.738	20	30		CCEDRM
N#Cc1cccc(O[N-]C(=O)[C@@H]2CCNC(=O)C2)c1	ZINC000870691202	646017932	/nfs/dbraw/zinc/01/79/32/646017932.db2.gz	HCTROWODHSNQKQ-SNVBAGLBSA-N	-1	0	259.265	0.494	20	30		CCEDRM
N#Cc1ccc(Cn2cc(C[N-]C(=O)C(F)(F)F)nn2)o1	ZINC000881302836	647300604	/nfs/dbraw/zinc/30/06/04/647300604.db2.gz	KECHUTCPOBNIDX-UHFFFAOYSA-N	-1	0	299.212	0.970	20	30		CCEDRM
C#CCC1(NC(=O)c2cccc(-n3[n-]nnc3=N)c2)CCC1	ZINC000886802373	648015004	/nfs/dbraw/zinc/01/50/04/648015004.db2.gz	IJAGYQFIPYDVJC-UHFFFAOYSA-N	-1	0	296.334	0.751	20	30		CCEDRM
N#CCCCCS(=O)(=O)N1CCC[C@@H]2C[C@@]21C(=O)[O-]	ZINC000926608068	648512632	/nfs/dbraw/zinc/51/26/32/648512632.db2.gz	GRSORTPKMRVUDT-PWSUYJOCSA-N	-1	0	286.353	0.949	20	30		CCEDRM
N#CCN1CCN(C(=O)c2cccc(F)c2[O-])CC1	ZINC000933236174	649114705	/nfs/dbraw/zinc/11/47/05/649114705.db2.gz	GATOTQPWRQQOLR-UHFFFAOYSA-N	-1	0	263.272	0.813	20	30		CCEDRM
CC(C)CCn1cc(C([O-])=C(C#N)C(=O)NC2CC2)nn1	ZINC000158735436	649309577	/nfs/dbraw/zinc/30/95/77/649309577.db2.gz	HLMLOINLMGLUIC-NSHDSACASA-N	-1	0	289.339	0.925	20	30		CCEDRM
CC(C)(C)n1cc(C(=O)[N-]S(=O)(=O)CCCC#N)nn1	ZINC000192279812	649503321	/nfs/dbraw/zinc/50/33/21/649503321.db2.gz	KUJMBNAUZHAVPN-UHFFFAOYSA-N	-1	0	299.356	0.396	20	30		CCEDRM
C=CCN(CC(=O)[O-])C(=O)NC[C@@]1(C)CCCO1	ZINC000094807789	649748617	/nfs/dbraw/zinc/74/86/17/649748617.db2.gz	OJWRPKVESKWGAT-GFCCVEGCSA-N	-1	0	256.302	0.838	20	30		CCEDRM
CC(C)(NS(=O)(=O)c1ccc(C#N)s1)C(=O)[O-]	ZINC000230324133	960144709	/nfs/dbraw/zinc/14/47/09/960144709.db2.gz	MCJJHPQEPONWEC-UHFFFAOYSA-N	-1	0	274.323	0.761	20	30		CCEDRM
C[C@H](O)c1ccc(NC(=N[O-])c2nonc2N)cc1	ZINC001210640736	790933349	/nfs/dbraw/zinc/93/33/49/790933349.db2.gz	RZYURAYKSAGFEU-LURJTMIESA-N	-1	0	263.257	0.953	20	30		CCEDRM
N#CCN1CC[C@H](Oc2nc(=O)[n-]c(Cl)c2[N+](=O)[O-])C1	ZINC001231071823	805724300	/nfs/dbraw/zinc/72/43/00/805724300.db2.gz	MJTBCRZPJPVRQW-LURJTMIESA-N	-1	0	299.674	0.720	20	30		CCEDRM
C=C[C@@H]1O[C@H](Oc2n[nH]c(=O)[n-]2)[C@H]2OC(C)(C)O[C@@H]12	ZINC001231302062	805773731	/nfs/dbraw/zinc/77/37/31/805773731.db2.gz	DHMZPCPTSYRHIW-DKXJUACHSA-N	-1	0	269.257	0.320	20	30		CCEDRM
N#Cc1cccc2c(N[C@@H]3CO[N-]C3=O)nc(Cl)nc12	ZINC001167510899	791496486	/nfs/dbraw/zinc/49/64/86/791496486.db2.gz	GUCUTIHFZIRDFP-MRVPVSSYSA-N	-1	0	289.682	0.419	20	30		CCEDRM
N#Cc1ccc2cc(N[C@@H]3CO[N-]C3=O)ccc2n1	ZINC001167522665	791509326	/nfs/dbraw/zinc/50/93/26/791509326.db2.gz	NFVDWLNRDXUVCY-GFCCVEGCSA-N	-1	0	254.249	0.948	20	30		CCEDRM
COC(=O)c1n[n-]c(C(=O)OC)c1OC1CC(C#N)C1	ZINC001234191290	806200598	/nfs/dbraw/zinc/20/05/98/806200598.db2.gz	YKBVFWWGZHAIND-UHFFFAOYSA-N	-1	0	279.252	0.664	20	30		CCEDRM
C=C(C)C(=O)NCCCNc1ccc(C(=O)[O-])nn1	ZINC001167667171	793235062	/nfs/dbraw/zinc/23/50/62/793235062.db2.gz	HMFCLKOJPVQOSM-UHFFFAOYSA-N	-1	0	264.285	0.669	20	30		CCEDRM
C#CC(C#C)OC1=C([O-])C(C(=O)OC)N=C1C(=O)OC	ZINC001234353843	806230625	/nfs/dbraw/zinc/23/06/25/806230625.db2.gz	DBMLOZOKCSRBGA-UHFFFAOYSA-N	-1	0	277.232	0.307	20	30		CCEDRM
C=CC[C@H](CCCC)Oc1c([O-])c(=O)c(=O)c(=O)c1=O	ZINC001234379486	806235826	/nfs/dbraw/zinc/23/58/26/806235826.db2.gz	VLAXMUKXDOWWLZ-MRVPVSSYSA-N	-1	0	280.276	0.222	20	30		CCEDRM
CC[C@@H](C)CN(C)c1[n-]c(=O)n(C)c(=O)c1C#N	ZINC001120897078	798956732	/nfs/dbraw/zinc/95/67/32/798956732.db2.gz	ZEVRVEVBBRTDRS-MRVPVSSYSA-N	-1	0	250.302	0.428	20	30		CCEDRM
CCc1nc(C)c(C([O-])=C(C#N)C(=O)NCCOC)o1	ZINC001122422025	799230670	/nfs/dbraw/zinc/23/06/70/799230670.db2.gz	VYIZNSGSLLAHJC-SECBINFHSA-N	-1	0	279.296	0.631	20	30		CCEDRM
Cn1ccnc1C([O-])=C(C#N)C(=O)C[C@@H]1CCOC1	ZINC001122715117	799288579	/nfs/dbraw/zinc/28/85/79/799288579.db2.gz	XNACCUFKXJPVHS-UWVGGRQHSA-N	-1	0	261.281	0.738	20	30		CCEDRM
Cc1cc(O)cc(=O)n1CC(=O)[N-]Oc1cccc(C#N)c1	ZINC001151432064	800424573	/nfs/dbraw/zinc/42/45/73/800424573.db2.gz	PKKQBFZSEGBOOM-UHFFFAOYSA-N	-1	0	299.286	0.844	20	30		CCEDRM
N#Cc1cnc(Cl)nc1N[C@@H]1SC(=O)[N-]C1=O	ZINC001155836854	801062696	/nfs/dbraw/zinc/06/26/96/801062696.db2.gz	HSACQEVHMOXISG-ZCFIWIBFSA-N	-1	0	269.673	0.145	20	30		CCEDRM
Cc1nc(C#N)cc(NCC[N-]C(=O)C(F)(F)F)n1	ZINC001156205177	801129027	/nfs/dbraw/zinc/12/90/27/801129027.db2.gz	NMFHWAAHNKZAEN-UHFFFAOYSA-N	-1	0	273.218	0.747	20	30		CCEDRM
N#Cc1c[nH]c2c1cccc2C(=O)NCS(=O)(=O)[O-]	ZINC001157173602	801318486	/nfs/dbraw/zinc/31/84/86/801318486.db2.gz	GIUDKXKAKXTHBG-UHFFFAOYSA-N	-1	0	279.277	0.615	20	30		CCEDRM
N#Cc1nc(Cl)c([N-]c2nccnc2CN)nc1C#N	ZINC001160245807	801922388	/nfs/dbraw/zinc/92/23/88/801922388.db2.gz	LENMQSKDACAHAI-UHFFFAOYSA-N	-1	0	286.686	0.866	20	30		CCEDRM
COc1cc(C#N)nc(NCC(=O)CCC(=O)[O-])c1	ZINC001160874001	802038009	/nfs/dbraw/zinc/03/80/09/802038009.db2.gz	FNSFCVYKNQINMF-UHFFFAOYSA-N	-1	0	263.253	0.808	20	30		CCEDRM
N#Cc1ccc([N-]S(=O)(=O)c2cn[nH]c2)c(C#N)c1	ZINC001260962045	808892990	/nfs/dbraw/zinc/89/29/90/808892990.db2.gz	HGCRMXPIDMKEMK-UHFFFAOYSA-N	-1	0	273.277	0.954	20	30		CCEDRM
C=CCOC[C@H](CS(=O)(=O)[O-])Oc1ncccc1N	ZINC001218300525	803946130	/nfs/dbraw/zinc/94/61/30/803946130.db2.gz	WZQPYVVGDYIMDJ-SECBINFHSA-N	-1	0	288.325	0.502	20	30		CCEDRM
C=C[C@@H]1OCC[C@H]1CNS(=O)(=O)[C@H]1CC[C@H]1C(=O)[O-]	ZINC001465113646	804134095	/nfs/dbraw/zinc/13/40/95/804134095.db2.gz	XPCVIZZEOVYXEN-VLEAKVRGSA-N	-1	0	289.353	0.360	20	30		CCEDRM
CO[N-]C(=O)CNC(=O)Nc1ccc(OC)c(C#N)c1	ZINC001219840846	804431353	/nfs/dbraw/zinc/43/13/53/804431353.db2.gz	NPDYTSKLPXKKIN-UHFFFAOYSA-N	-1	0	278.268	0.366	20	30		CCEDRM
C=CCC[C@H](NC(=O)NCc1ccnn1C)C(=O)[O-]	ZINC000315951520	804659272	/nfs/dbraw/zinc/65/92/72/804659272.db2.gz	VCYBWPIFFFDONX-JTQLQIEISA-N	-1	0	266.301	0.639	20	30		CCEDRM
C=CCOC[C@H](CS(=O)(=O)[O-])OCCC(OC)OC	ZINC001224340658	805027829	/nfs/dbraw/zinc/02/78/29/805027829.db2.gz	BWKLOGAULURSMY-SNVBAGLBSA-N	-1	0	298.357	0.471	20	30		CCEDRM
C[C@H](OCC(=O)ON1C(=O)CCC1=O)C1=CC=C[CH]1	ZINC001224529350	805045779	/nfs/dbraw/zinc/04/57/79/805045779.db2.gz	PZEMSDYXRCAOIS-VIFPVBQESA-N	-1	0	264.257	0.699	20	30		CCEDRM
C=CCOC[C@@H](CS(=O)(=O)[O-])Oc1ccncc1	ZINC001225291220	805120469	/nfs/dbraw/zinc/12/04/69/805120469.db2.gz	PQFBAMNLTHAPIG-NSHDSACASA-N	-1	0	273.310	0.919	20	30		CCEDRM
C=CCOC[C@H](CS(=O)(=O)[O-])Oc1ccc(C#N)nc1	ZINC001225500837	805135764	/nfs/dbraw/zinc/13/57/64/805135764.db2.gz	ZJNFULRNCOQTDY-GFCCVEGCSA-N	-1	0	298.320	0.791	20	30		CCEDRM
C=CCOC[C@H](CS(=O)(=O)[O-])Oc1cccnc1C#N	ZINC001225673613	805150733	/nfs/dbraw/zinc/15/07/33/805150733.db2.gz	VLWAUCXULUNENL-SNVBAGLBSA-N	-1	0	298.320	0.791	20	30		CCEDRM
COC(=O)c1cc(=O)[n-]c(O[C@@H]2C=CC(=O)C2)n1	ZINC001225729868	805155006	/nfs/dbraw/zinc/15/50/06/805155006.db2.gz	DQPNTWOZJXWNDM-SSDOTTSWSA-N	-1	0	250.210	0.245	20	30		CCEDRM
C[C@@H](CC(C)(C)S)Oc1c([O-])c(=O)c(=O)c1=O	ZINC001225831527	805168474	/nfs/dbraw/zinc/16/84/74/805168474.db2.gz	WUJLYEMDTNFODI-YFKPBYRVSA-N	-1	0	258.295	0.214	20	30		CCEDRM
Cc1nc(O[C@@H]2C[C@@H]3[C@H]4O[C@H]4[C@H](C2)N3C)c(F)c(=O)[n-]1	ZINC001226423887	805228829	/nfs/dbraw/zinc/22/88/29/805228829.db2.gz	MHDVMPYAZLLFPA-ZTEPNEHBSA-N	-1	0	281.287	0.621	20	30		CCEDRM
N#Cc1cncc(OC(=O)[C@H](O)CCC(=O)[O-])c1	ZINC001226684883	805264685	/nfs/dbraw/zinc/26/46/85/805264685.db2.gz	OPXQPCBJTGZHEY-SECBINFHSA-N	-1	0	250.210	0.084	20	30		CCEDRM
CC[C@@H](C#CC(=O)OC)Oc1[n-]c(=O)nc2cnncc21	ZINC001226692340	805266451	/nfs/dbraw/zinc/26/64/51/805266451.db2.gz	NLXCEZDSNFFOSE-QMMMGPOBSA-N	-1	0	288.263	0.459	20	30		CCEDRM
CC[C@@H](C#CC(=O)OC)Oc1nc2ncnc-2c(S)[n-]1	ZINC001226786407	805281755	/nfs/dbraw/zinc/28/17/55/805281755.db2.gz	QLMWRDQEMNPLKN-ZETCQYMHSA-N	-1	0	292.320	0.975	20	30		CCEDRM
C#C[C@H](Oc1[n-]c(=O)nc2c(=O)[n-]c(=O)[nH]c12)C(C)C	ZINC001226886787	805290568	/nfs/dbraw/zinc/29/05/68/805290568.db2.gz	SLRLSQNUPYGKLK-LURJTMIESA-N	-1	0	276.252	0.573	20	30		CCEDRM
C=CCOC[C@H](CS(=O)(=O)[O-])Oc1nccs1	ZINC001227040374	805313075	/nfs/dbraw/zinc/31/30/75/805313075.db2.gz	PQQBBACQPXVARK-MRVPVSSYSA-N	-1	0	279.339	0.981	20	30		CCEDRM
C=CCOC[C@@H](CS(=O)(=O)[O-])Oc1ccc(=O)[nH]n1	ZINC001227092483	805321838	/nfs/dbraw/zinc/32/18/38/805321838.db2.gz	ALHKEHQQFCEGOE-QMMMGPOBSA-N	-1	0	290.297	0.020	20	30		CCEDRM
C[C@H]1OCc2c1[n-]c(=O)nc2OC1CN(CCC#N)C1	ZINC001227716665	805383985	/nfs/dbraw/zinc/38/39/85/805383985.db2.gz	UOWWEIOWUJQBIX-MRVPVSSYSA-N	-1	0	276.296	0.750	20	30		CCEDRM
CC[C@@H](C#CC(=O)OC)Oc1c[n-]c(C(=O)OC)cc1=O	ZINC001227787194	805389066	/nfs/dbraw/zinc/38/90/66/805389066.db2.gz	ZDRHYVKBKPXITP-VIFPVBQESA-N	-1	0	293.275	0.495	20	30		CCEDRM
N#CCN1CC[C@@H](Oc2[n-]c(=O)nc3cc[nH]c32)C1	ZINC001227810077	805392730	/nfs/dbraw/zinc/39/27/30/805392730.db2.gz	SLGHDXQFPCNKHM-MRVPVSSYSA-N	-1	0	259.269	0.640	20	30		CCEDRM
C=CCOC[C@@H](CS(=O)(=O)[O-])Oc1ccc(O)cn1	ZINC001228034873	805409492	/nfs/dbraw/zinc/40/94/92/805409492.db2.gz	LVHGAMNIUKXHTB-JTQLQIEISA-N	-1	0	289.309	0.625	20	30		CCEDRM
C=C(C)C(=O)OC[C@H](C)Oc1nnc(C(=O)OC)[n-]1	ZINC001228310721	805435373	/nfs/dbraw/zinc/43/53/73/805435373.db2.gz	HDYPZOPPNAZDBJ-ZETCQYMHSA-N	-1	0	269.257	0.478	20	30		CCEDRM
C=C[C@@H]1O[C@@H](Oc2nc(O)cc(=O)[n-]2)[C@H]2OC(C)(C)O[C@@H]12	ZINC001228390237	805442915	/nfs/dbraw/zinc/44/29/15/805442915.db2.gz	FHRYGPBTQLXDNH-JGBZZBSPSA-N	-1	0	296.279	0.698	20	30		CCEDRM
C=C[C@@H]1O[C@H](Oc2cnnc(=S)[n-]2)[C@H]2OC(C)(C)O[C@@H]12	ZINC001228636741	805461879	/nfs/dbraw/zinc/46/18/79/805461879.db2.gz	QRDHWOOWHJHOBX-MIBSWOBISA-N	-1	0	297.336	0.970	20	30		CCEDRM
N#Cc1ccc(=O)[n-]c1O[C@@H]1[C@H]2C[C@@H]3C(=O)O[C@@H]1[C@H]3C2	ZINC001228898088	805488557	/nfs/dbraw/zinc/48/85/57/805488557.db2.gz	BTPMBOKWZRQKRN-ACJPCYBHSA-N	-1	0	272.260	0.988	20	30		CCEDRM
N#CCCN1CC(Oc2cc(O)cc([O-])c2[N+](=O)[O-])C1	ZINC001228972709	805494586	/nfs/dbraw/zinc/49/45/86/805494586.db2.gz	CSLRJPGJHMDQHV-UHFFFAOYSA-N	-1	0	279.252	0.983	20	30		CCEDRM
N#Cc1cccc(OC(=O)[C@@H](O)CC(=O)[O-])c1[N+](=O)[O-]	ZINC001229598778	805542853	/nfs/dbraw/zinc/54/28/53/805542853.db2.gz	WCTNTBCMQFYZFZ-ZETCQYMHSA-N	-1	0	280.192	0.207	20	30		CCEDRM
C=CCNC(=O)c1ccc(-c2cnn(CC(=O)[O-])c2)nc1	ZINC001242183126	806995260	/nfs/dbraw/zinc/99/52/60/806995260.db2.gz	GJJKAEWWSGGTEE-UHFFFAOYSA-N	-1	0	286.291	0.946	20	30		CCEDRM
COc1cccc([N-]S(=O)(=O)N(C)C)c1C#N	ZINC001251094252	807663971	/nfs/dbraw/zinc/66/39/71/807663971.db2.gz	LGACAQYABREQSL-UHFFFAOYSA-N	-1	0	255.299	0.785	20	30		CCEDRM
COC(=O)n1ncc(C#N)c1[N-]S(=O)(=O)C(F)(F)F	ZINC001252385863	807817176	/nfs/dbraw/zinc/81/71/76/807817176.db2.gz	DUMZSWLXWGPATN-UHFFFAOYSA-N	-1	0	298.202	0.631	20	30		CCEDRM
CCOC(=O)[C@@H](C#N)[N-]S(=O)(=O)Cc1ccccc1	ZINC001252917760	807985891	/nfs/dbraw/zinc/98/58/91/807985891.db2.gz	KNEDPKSZYFKFJT-LLVKDONJSA-N	-1	0	282.321	0.561	20	30		CCEDRM
Nc1nonc1C(=N[O-])Nc1ccc2nc(N)ncc2c1	ZINC001213107510	815205248	/nfs/dbraw/zinc/20/52/48/815205248.db2.gz	ZRGBRDRIHSJURU-UHFFFAOYSA-N	-1	0	286.255	0.425	20	30		CCEDRM
Cn1cnc(S(=O)(=O)[N-]c2oncc2C#N)c1	ZINC001258993330	808708710	/nfs/dbraw/zinc/70/87/10/808708710.db2.gz	PSHLYALECYASIE-UHFFFAOYSA-N	-1	0	253.243	0.081	20	30		CCEDRM
COC(=O)CS(=O)(=O)[N-]c1nc(C)c(C#N)cc1C#N	ZINC001259019129	808719201	/nfs/dbraw/zinc/71/92/01/808719201.db2.gz	UPILREDJWKALLJ-UHFFFAOYSA-N	-1	0	294.292	0.048	20	30		CCEDRM
CCOC(=O)[C@@H](C#N)[N-]S(=O)(=O)CCc1ccccc1	ZINC001259741412	808768174	/nfs/dbraw/zinc/76/81/74/808768174.db2.gz	WNWQRVPMZNUSQH-GFCCVEGCSA-N	-1	0	296.348	0.604	20	30		CCEDRM
O=C([O-])c1ccc(S(=O)(=O)NCCCS)cc1	ZINC001260231624	808857413	/nfs/dbraw/zinc/85/74/13/808857413.db2.gz	UEFJHGXECDMJAW-UHFFFAOYSA-N	-1	0	275.351	0.983	20	30		CCEDRM
Cc1cnc([N-]S(=O)(=O)CS(C)(=O)=O)c(C#N)c1	ZINC001260584672	808867143	/nfs/dbraw/zinc/86/71/43/808867143.db2.gz	RVWCAEUSQWAFKR-UHFFFAOYSA-N	-1	0	289.338	0.006	20	30		CCEDRM
CC(C)C[C@](C)(C#N)NS(=O)(=O)CS(C)(=O)=O	ZINC001260597630	808873328	/nfs/dbraw/zinc/87/33/28/808873328.db2.gz	BYNFFINXBZQVDQ-SECBINFHSA-N	-1	0	282.387	0.236	20	30		CCEDRM
N#Cc1cc([N-]S(=O)(=O)c2cn[nH]c2)ccc1O	ZINC001260960868	808892267	/nfs/dbraw/zinc/89/22/67/808892267.db2.gz	SVMXQMAIGVKFGB-UHFFFAOYSA-N	-1	0	264.266	0.788	20	30		CCEDRM
Cc1n[nH]c(C)c1S(=O)(=O)[N-]c1cn(C)nc1C#N	ZINC001261023661	808898098	/nfs/dbraw/zinc/89/80/98/808898098.db2.gz	DPXNLPVLLJKQNM-UHFFFAOYSA-N	-1	0	280.313	0.433	20	30		CCEDRM
C=C[C@H](C)O[N-]C(=O)C(=O)Nc1ncn(C(C)C)n1	ZINC001261514797	809004870	/nfs/dbraw/zinc/00/48/70/809004870.db2.gz	MXZWGDKVJYQXTF-QMMMGPOBSA-N	-1	0	267.289	0.420	20	30		CCEDRM
C#CCCCNC(=O)C(=O)N1CCC[C@](CC)(C(=O)[O-])C1	ZINC001262543561	809333965	/nfs/dbraw/zinc/33/39/65/809333965.db2.gz	DWJYLGYCNQYMMV-HNNXBMFYSA-N	-1	0	294.351	0.619	20	30		CCEDRM
C=CCCC(=O)N[C@H]1CCN(Cc2n[nH]c(=O)[n-]2)[C@@H]1C	ZINC001264693358	809673207	/nfs/dbraw/zinc/67/32/07/809673207.db2.gz	JHNSTGQCNBXPNV-ZJUUUORDSA-N	-1	0	279.344	0.556	20	30		CCEDRM
C=C[C@@H]1O[C@@H](OCC[P@@](=O)([O-])O)[C@H]2OC(C)(C)O[C@@H]12	ZINC001224602892	815319617	/nfs/dbraw/zinc/31/96/17/815319617.db2.gz	UCSBZCKPQFUVMI-AATLWQCWSA-N	-1	0	294.240	0.612	20	30		CCEDRM
C[C@]1(C#N)CCN(C(=O)N[C@H]2C[C@@H](C(=O)[O-])C2)C1	ZINC000694558814	811477843	/nfs/dbraw/zinc/47/78/43/811477843.db2.gz	COPBWDKFZSNZTE-VDDIYKPWSA-N	-1	0	251.286	0.795	20	30		CCEDRM
C=CC(C)(C)C(=O)N(C)CCN(C)Cc1n[nH]c(=O)[n-]1	ZINC001268244886	812410854	/nfs/dbraw/zinc/41/08/54/812410854.db2.gz	IMQWXAGYTDFXNE-UHFFFAOYSA-N	-1	0	281.360	0.613	20	30		CCEDRM
CC#CC[N@@H+]1C[C@@H]2CCN(C(=O)c3ncccc3[O-])[C@@H]2C1	ZINC001075718723	813575071	/nfs/dbraw/zinc/57/50/71/813575071.db2.gz	BMGNZSMINWKNCY-QWHCGFSZSA-N	-1	0	285.347	0.957	20	30		CCEDRM
CN(C)S(=O)(=O)c1ccc([O-])c(C(=O)NCCC#N)c1	ZINC000427606671	813608935	/nfs/dbraw/zinc/60/89/35/813608935.db2.gz	MQSKWLUAXHZDRL-UHFFFAOYSA-N	-1	0	297.336	0.286	20	30		CCEDRM
C#CC[C@@H](NC(=O)c1c(Cl)cnn1C)C(=O)[O-]	ZINC000696503117	813965566	/nfs/dbraw/zinc/96/55/66/813965566.db2.gz	KWUWDCLZLGMBAK-SSDOTTSWSA-N	-1	0	255.661	0.280	20	30		CCEDRM
N#Cc1cccc(O)c1OC(=O)[C@H](O)CCC(=O)[O-]	ZINC001226521032	814031494	/nfs/dbraw/zinc/03/14/94/814031494.db2.gz	YYFWLZHRFHAAIH-SECBINFHSA-N	-1	0	265.221	0.395	20	30		CCEDRM
N#CCCNC(=O)c1ccc(-c2nc(=O)o[n-]2)cc1	ZINC000429453942	814138063	/nfs/dbraw/zinc/13/80/63/814138063.db2.gz	SCYYPKWNSGCNKE-UHFFFAOYSA-N	-1	0	258.237	0.673	20	30		CCEDRM
N#CCN1CC[C@H](Oc2[n-]ncc(=O)c2Cl)C1	ZINC001228387883	814687347	/nfs/dbraw/zinc/68/73/47/814687347.db2.gz	RPSOUXDZQIUVKI-ZETCQYMHSA-N	-1	0	254.677	0.812	20	30		CCEDRM
C=C(C)CCC(=O)N(C)CCN(C)Cc1n[nH]c(=O)[n-]1	ZINC001272028138	814756423	/nfs/dbraw/zinc/75/64/23/814756423.db2.gz	RGUZPUUDGZURJV-UHFFFAOYSA-N	-1	0	281.360	0.757	20	30		CCEDRM
N#CC(C(=O)NC1CC1)=C([O-])c1ccc(N)c([N+](=O)[O-])c1	ZINC000129345906	815592373	/nfs/dbraw/zinc/59/23/73/815592373.db2.gz	ROWPQPIPZBOKMA-VIFPVBQESA-N	-1	0	288.263	0.778	20	30		CCEDRM
CNC(=O)C(C#N)=C([O-])c1ccc(OC)c(OC)c1	ZINC000133200010	818231893	/nfs/dbraw/zinc/23/18/93/818231893.db2.gz	ZWWBRKTWYALNPK-VIFPVBQESA-N	-1	0	262.265	0.772	20	30		CCEDRM
CNC(=O)C(C#N)=C([O-])c1cn(-c2ccc(C)cc2)nn1	ZINC000133550236	818686172	/nfs/dbraw/zinc/68/61/72/818686172.db2.gz	RYOZXURGGCYRDQ-NSHDSACASA-N	-1	0	283.291	0.644	20	30		CCEDRM
C=CCN1CCO[C@@H](CNC(=O)c2[nH]nc(C)c2[O-])C1	ZINC001035337074	819478880	/nfs/dbraw/zinc/47/88/80/819478880.db2.gz	PMTXGXXDYOYSQI-JTQLQIEISA-N	-1	0	280.328	0.040	20	30		CCEDRM
CC#CCN1CC[C@@H]2CN(C(=O)c3n[nH]c(C)c3[O-])[C@@H]2C1	ZINC001084284112	821261475	/nfs/dbraw/zinc/26/14/75/821261475.db2.gz	XHYAFLBLRNIXES-VXGBXAGGSA-N	-1	0	288.351	0.593	20	30		CCEDRM
CC(=NNS(C)(=O)=O)c1csc(C(=O)[O-])c1	ZINC000378758771	821596483	/nfs/dbraw/zinc/59/64/83/821596483.db2.gz	ZPQJQAXHWXVNID-UHFFFAOYSA-N	-1	0	262.312	0.720	20	30		CCEDRM
C=CCN1CC[C@@H]1CN(C)C(=O)c1n[nH]c(C)c1[O-]	ZINC001085550113	821786295	/nfs/dbraw/zinc/78/62/95/821786295.db2.gz	LLGYQFDYIRHJNX-SNVBAGLBSA-N	-1	0	264.329	0.756	20	30		CCEDRM
C[C@]1(C(=O)[N-]S(=O)(=O)CC2(C#N)CC2)CCOC1	ZINC000793198279	837404554	/nfs/dbraw/zinc/40/45/54/837404554.db2.gz	XCCAJKXDYWQAOP-JTQLQIEISA-N	-1	0	272.326	0.163	20	30		CCEDRM
Cc1cccnc1C(=O)[N-]S(=O)(=O)CC1(C#N)CC1	ZINC000793204980	837406987	/nfs/dbraw/zinc/40/69/87/837406987.db2.gz	RNENHLTYFXNIIK-UHFFFAOYSA-N	-1	0	279.321	0.753	20	30		CCEDRM
N#CC1(CS(=O)(=O)[N-]C(=O)[C@@H]2C[C@@H]2C2CC2)CC1	ZINC000793203771	837407273	/nfs/dbraw/zinc/40/72/73/837407273.db2.gz	GYIHVCRBXAJLLL-NXEZZACHSA-N	-1	0	268.338	0.782	20	30		CCEDRM
COC(=O)n1ncc(C#N)c1[N-]c1ncnc(Cl)n1	ZINC001169961076	836489543	/nfs/dbraw/zinc/48/95/43/836489543.db2.gz	GLTWKKQNYAGEAI-UHFFFAOYSA-N	-1	0	279.647	0.951	20	30		CCEDRM
CC(=O)N1C[C@@H]2C[C@]2(NC(=O)CCC(=O)C2=CC=C[CH]2)C1	ZINC001184245097	844187387	/nfs/dbraw/zinc/18/73/87/844187387.db2.gz	ZMAPZAYBYKNECK-BBRMVZONSA-N	-1	0	287.339	0.773	20	30		CCEDRM
O=C(CCC(=O)N1CCN2C(=O)CC[C@@H]2C1)C1=CC=C[CH]1	ZINC001184244143	844187477	/nfs/dbraw/zinc/18/74/77/844187477.db2.gz	QIRLRTXVWMKEOB-CYBMUJFWSA-N	-1	0	287.339	0.869	20	30		CCEDRM
CN1C(=O)CC[C@H]1C(=O)Nc1cc(C#N)c(F)cc1[O-]	ZINC001184308988	844199024	/nfs/dbraw/zinc/19/90/24/844199024.db2.gz	MZZOOSQHKRNKKC-JTQLQIEISA-N	-1	0	277.255	0.962	20	30		CCEDRM
Cc1n[nH]c(C(=O)N[C@H](C)CCCCNCC#N)c1[O-]	ZINC001170193227	837252601	/nfs/dbraw/zinc/25/26/01/837252601.db2.gz	XUOHFGJBIJQOHG-SECBINFHSA-N	-1	0	279.344	0.826	20	30		CCEDRM
CCOC(=O)[C@H](C#N)NC(=O)c1nc(SC)ncc1[O-]	ZINC001185188143	844358468	/nfs/dbraw/zinc/35/84/68/844358468.db2.gz	TWWGIWAWILMFLF-LURJTMIESA-N	-1	0	296.308	0.089	20	30		CCEDRM
COC(=O)n1ncc(C#N)c1[N-]S(=O)(=O)c1ccco1	ZINC001186876812	844610105	/nfs/dbraw/zinc/61/01/05/844610105.db2.gz	HUOSOXLKMBYORL-UHFFFAOYSA-N	-1	0	296.264	0.763	20	30		CCEDRM
N#C[C@H](Cc1cccs1)C(=O)NCS(=O)(=O)[O-]	ZINC001177915263	842707128	/nfs/dbraw/zinc/70/71/28/842707128.db2.gz	LMIMFBRGDKQZDQ-ZETCQYMHSA-N	-1	0	274.323	0.392	20	30		CCEDRM
C=CC[C@H](NC(=O)[C@@H]1CC(=O)N(C2CC2)C1)C(=O)[O-]	ZINC000150145437	842995436	/nfs/dbraw/zinc/99/54/36/842995436.db2.gz	RRHZCVKQLVKJQV-SCZZXKLOSA-N	-1	0	266.297	0.143	20	30		CCEDRM
N#Cc1cc(CC(=O)NCc2nnn[n-]2)ccc1F	ZINC001181196201	843421568	/nfs/dbraw/zinc/42/15/68/843421568.db2.gz	ZKEIAFYTMSZDMO-UHFFFAOYSA-N	-1	0	260.232	0.069	20	30		CCEDRM
N#Cc1cc(CC(=O)N[C@@H]2SC(=O)[N-]C2=O)ccc1F	ZINC001181195239	843422152	/nfs/dbraw/zinc/42/21/52/843422152.db2.gz	BCKSBJLULKUHHG-LLVKDONJSA-N	-1	0	293.279	0.665	20	30		CCEDRM
COC(=O)CCS(=O)(=O)[N-]c1ccc(C#N)cc1C#N	ZINC001188395613	844879105	/nfs/dbraw/zinc/87/91/05/844879105.db2.gz	ZBGXGSZQNBXHFG-UHFFFAOYSA-N	-1	0	293.304	0.735	20	30		CCEDRM
O=C(NCCCS)c1ccccc1S(=O)(=O)[O-]	ZINC001189704510	845195156	/nfs/dbraw/zinc/19/51/56/845195156.db2.gz	ZIVCWBTYDGKGRG-UHFFFAOYSA-N	-1	0	275.351	0.983	20	30		CCEDRM
C#Cc1cnc([N-]S(=O)(=O)CCCF)c(C#C)n1	ZINC001189869981	845236987	/nfs/dbraw/zinc/23/69/87/845236987.db2.gz	KVAXIFMADGTHHK-UHFFFAOYSA-N	-1	0	267.285	0.541	20	30		CCEDRM
COc1nc(S(=O)(=O)NCCCC#N)ccc1F	ZINC001190117652	845338794	/nfs/dbraw/zinc/33/87/94/845338794.db2.gz	DZMPYCKTXLGBIT-UHFFFAOYSA-N	-1	0	273.289	0.811	20	30		CCEDRM
C=CCC1(S(=O)(=O)[N-]c2c(C(N)=O)c(C)nn2C)CC1	ZINC001190766354	845492284	/nfs/dbraw/zinc/49/22/84/845492284.db2.gz	RGDZQWCASWPMGM-UHFFFAOYSA-N	-1	0	298.368	0.678	20	30		CCEDRM
COc1cc(C#N)ccc1C(=O)NCC(=O)CCC(=O)[O-]	ZINC001192272913	845811962	/nfs/dbraw/zinc/81/19/62/845811962.db2.gz	MGTXOVBXFKNJRZ-UHFFFAOYSA-N	-1	0	290.275	0.731	20	30		CCEDRM
N#Cc1c(N)nn(C(=O)c2ccc(F)c(F)c2[O-])c1N	ZINC001192796657	845911245	/nfs/dbraw/zinc/91/12/45/845911245.db2.gz	FRPSXVMFBNGDCS-UHFFFAOYSA-N	-1	0	279.206	0.591	20	30		CCEDRM
CCOC(=O)c1ccncc1[N-]S(=O)(=O)CC#N	ZINC001192934722	845940231	/nfs/dbraw/zinc/94/02/31/845940231.db2.gz	DKPVYKBMQSRMSN-UHFFFAOYSA-N	-1	0	269.282	0.524	20	30		CCEDRM
Cc1cc2ncc(C)c([N-]S(=O)(=O)CC#N)n2n1	ZINC001192934744	845940456	/nfs/dbraw/zinc/94/04/56/845940456.db2.gz	DRSNQOJDWCZKEE-UHFFFAOYSA-N	-1	0	265.298	0.611	20	30		CCEDRM
CCOC(=O)c1ccc([N-]S(=O)(=O)CC#N)cn1	ZINC001192938984	845943157	/nfs/dbraw/zinc/94/31/57/845943157.db2.gz	JUXIRUPMSFCTRJ-UHFFFAOYSA-N	-1	0	269.282	0.524	20	30		CCEDRM
N#CCS(=O)(=O)[N-]c1cccc2snnc21	ZINC001192982027	845943447	/nfs/dbraw/zinc/94/34/47/845943447.db2.gz	CSJISFWYTRDFHI-UHFFFAOYSA-N	-1	0	254.296	0.957	20	30		CCEDRM
N#CCS(=O)(=O)NCC(=O)c1ccc(F)cc1	ZINC001192987789	845947012	/nfs/dbraw/zinc/94/70/12/845947012.db2.gz	GQLAYKJSPUNBJP-UHFFFAOYSA-N	-1	0	256.258	0.451	20	30		CCEDRM
Cn1cc2cccc([N-]S(=O)(=O)CC#N)c2n1	ZINC001192979016	845960974	/nfs/dbraw/zinc/96/09/74/845960974.db2.gz	UEKVIIBJGDMHJX-UHFFFAOYSA-N	-1	0	250.283	0.839	20	30		CCEDRM
CNC(=O)c1ccc(F)c([N-]S(=O)(=O)CC#N)c1	ZINC001192980125	845962457	/nfs/dbraw/zinc/96/24/57/845962457.db2.gz	BYYWMCVGORUPAI-UHFFFAOYSA-N	-1	0	271.273	0.451	20	30		CCEDRM
Cc1csc([N-]S(=O)(=O)[C@@H](C)C#N)c1C(N)=O	ZINC001193104694	845978381	/nfs/dbraw/zinc/97/83/81/845978381.db2.gz	MBVRUOAIODAMTO-LURJTMIESA-N	-1	0	273.339	0.809	20	30		CCEDRM
C[C@@H](C#N)S(=O)(=O)[N-]c1cnn2c1OCCC2	ZINC001193112280	845980485	/nfs/dbraw/zinc/98/04/85/845980485.db2.gz	QATHILDRTWUCSY-ZETCQYMHSA-N	-1	0	256.287	0.319	20	30		CCEDRM
CNC(=O)c1ccc(F)c([N-]S(=O)(=O)[C@H](C)C#N)c1	ZINC001193151795	846005900	/nfs/dbraw/zinc/00/59/00/846005900.db2.gz	UFKMEPYOLZMWBN-SSDOTTSWSA-N	-1	0	285.300	0.839	20	30		CCEDRM
COc1ccc([N-]S(=O)(=O)[C@H](C)C#N)c(C(N)=O)c1	ZINC001193151439	846006357	/nfs/dbraw/zinc/00/63/57/846006357.db2.gz	PZYMUOSWERLIBA-SSDOTTSWSA-N	-1	0	283.309	0.448	20	30		CCEDRM
COC(=O)c1cc(C#N)cc([N-]S(=O)(=O)[C@@H](C)C#N)c1	ZINC001193157222	846007929	/nfs/dbraw/zinc/00/79/29/846007929.db2.gz	BZQCVHDWYMSDPE-QMMMGPOBSA-N	-1	0	293.304	0.999	20	30		CCEDRM
CCOC(=O)C1=C([N-]S(=O)(=O)[C@H](C)C#N)[C@H](C)OC1	ZINC001193168999	846011496	/nfs/dbraw/zinc/01/14/96/846011496.db2.gz	PSPNNRYIIFPWHH-SFYZADRCSA-N	-1	0	288.325	0.054	20	30		CCEDRM
COC(=O)[C@H]([N-]S(=O)(=O)[C@H](C)C#N)c1ccccn1	ZINC001193168860	846011796	/nfs/dbraw/zinc/01/17/96/846011796.db2.gz	MWSXCLZQEHCYAK-PSASIEDQSA-N	-1	0	283.309	0.127	20	30		CCEDRM
CO[C@@H]1COCC[C@H]1NC(=O)c1ccc([O-])c(C#N)c1	ZINC001193515764	846103245	/nfs/dbraw/zinc/10/32/45/846103245.db2.gz	RPWHVLPJBALAIU-DGCLKSJQSA-N	-1	0	276.292	0.798	20	30		CCEDRM
N#Cc1cccc(C(=O)NCCn2ccnc2)c1[O-]	ZINC001193635234	846131495	/nfs/dbraw/zinc/13/14/95/846131495.db2.gz	QTGJBCPYHONRTF-UHFFFAOYSA-N	-1	0	256.265	0.890	20	30		CCEDRM
COC(=O)[C@]1(F)CCN(C(=O)c2cccc(C#N)c2[O-])C1	ZINC001193642694	846135109	/nfs/dbraw/zinc/13/51/09/846135109.db2.gz	NJHKXWSYDVYCID-AWEZNQCLSA-N	-1	0	292.266	0.991	20	30		CCEDRM
C#Cc1cnc([N-]S(=O)(=O)c2ccccc2N)c(C#C)n1	ZINC001193895796	846178385	/nfs/dbraw/zinc/17/83/85/846178385.db2.gz	LNFIECDJWDUTHP-UHFFFAOYSA-N	-1	0	298.327	0.822	20	30		CCEDRM
C=CCOC(=O)Nc1ccc2c(c1)S(=O)(=O)[N-]C2=O	ZINC001194320030	846263683	/nfs/dbraw/zinc/26/36/83/846263683.db2.gz	OTDJCYQZAMXXFR-UHFFFAOYSA-N	-1	0	282.277	0.853	20	30		CCEDRM
C#Cc1cnc(NC(=O)c2cc(C(=O)OC)[n-]n2)c(C#C)n1	ZINC001194282261	846264025	/nfs/dbraw/zinc/26/40/25/846264025.db2.gz	FZSFLDDVCQLATK-UHFFFAOYSA-N	-1	0	295.258	0.201	20	30		CCEDRM
COC(=O)n1ncc(C#N)c1[N-]C(=O)c1nc(C)co1	ZINC001195763392	846611647	/nfs/dbraw/zinc/61/16/47/846611647.db2.gz	DSPOZOKUPQHAHX-UHFFFAOYSA-N	-1	0	275.224	0.918	20	30		CCEDRM
COC(=O)CNC(=S)Nc1ccc(C#N)cc1O	ZINC001197193875	846868845	/nfs/dbraw/zinc/86/88/45/846868845.db2.gz	AHQKTDJDQBJSTN-UHFFFAOYSA-N	-1	0	265.294	0.723	20	30		CCEDRM
Cc1nc(C#N)cnc1[N-]S(=O)(=O)Cc1cccnc1	ZINC001197423489	846909005	/nfs/dbraw/zinc/90/90/05/846909005.db2.gz	ZJYPZVXSJWVDPP-UHFFFAOYSA-N	-1	0	289.320	0.994	20	30		CCEDRM
C#Cc1ccc([N-]S(=O)(=O)c2cnc(C)n2C)cn1	ZINC001198364660	847094892	/nfs/dbraw/zinc/09/48/92/847094892.db2.gz	YZWBXRGRXMCAIY-UHFFFAOYSA-N	-1	0	276.321	0.906	20	30		CCEDRM
C#CCOC[C@@H](O)CNc1cc(=O)[n-]c(Cl)n1	ZINC001251825657	847151962	/nfs/dbraw/zinc/15/19/62/847151962.db2.gz	ACSXMYZDMWKKBU-ZETCQYMHSA-N	-1	0	257.677	0.258	20	30		CCEDRM
N=C(c1nonc1N)N(O)C(=O)c1cc2cccn2cn1	ZINC001201368713	847769723	/nfs/dbraw/zinc/76/97/23/847769723.db2.gz	LPPQQTDXCHCPGG-UHFFFAOYSA-N	-1	0	287.239	0.156	20	30		CCEDRM
C=CCOCCCNC(=O)N(CC=C)CC(=O)[O-]	ZINC000691812046	847984135	/nfs/dbraw/zinc/98/41/35/847984135.db2.gz	POYDTMZXHMRGGZ-UHFFFAOYSA-N	-1	0	256.302	0.861	20	30		CCEDRM
C=C[C@@H](CO)NS(=O)(=O)c1cccnc1Cl	ZINC000718134307	848578203	/nfs/dbraw/zinc/57/82/03/848578203.db2.gz	PHFWOFFXSVSHDV-ZETCQYMHSA-N	-1	0	262.718	0.560	20	30		CCEDRM
Cc1n[nH]c(C(=O)N[C@H]2CCCC[C@H]2CNCC#N)c1[O-]	ZINC001275757878	848811076	/nfs/dbraw/zinc/81/10/76/848811076.db2.gz	RXHSXQZPOKPBAM-QWRGUYRKSA-N	-1	0	291.355	0.826	20	30		CCEDRM
CC#CCCNC(=O)N[C@H](Cc1cncs1)C(=O)[O-]	ZINC000719003851	849286356	/nfs/dbraw/zinc/28/63/56/849286356.db2.gz	JHVZYAULKNAECU-SNVBAGLBSA-N	-1	0	281.337	0.851	20	30		CCEDRM
C#CCCCCNC(=O)N1CC[C@@](COC)(C(=O)[O-])C1	ZINC000383837146	853301819	/nfs/dbraw/zinc/30/18/19/853301819.db2.gz	LAGHRYNTTJQPMQ-CQSZACIVSA-N	-1	0	282.340	0.923	20	30		CCEDRM
N#Cc1ccc(N2CCC[C@@H](NC(=O)c3cn[nH]n3)C2)nc1	ZINC001058268400	853808178	/nfs/dbraw/zinc/80/81/78/853808178.db2.gz	JDWGWVFOBPSBMB-LLVKDONJSA-N	-1	0	297.322	0.470	20	30		CCEDRM
CNC(=O)C(C#N)=C([O-])c1ccc2c(c1)CCC(=O)N2	ZINC000133335540	853834491	/nfs/dbraw/zinc/83/44/91/853834491.db2.gz	OYSMTQMAFVQNEO-SNVBAGLBSA-N	-1	0	271.276	0.640	20	30		CCEDRM
C#CC[C@@H](NC(=O)COc1ccc(OC)cc1)C(=O)[O-]	ZINC000149575736	853989307	/nfs/dbraw/zinc/98/93/07/853989307.db2.gz	VBCZQHAALWFLML-GFCCVEGCSA-N	-1	0	277.276	0.667	20	30		CCEDRM
C#CC[C@@H](NC(=O)Cc1ccc(OC)cc1)C(=O)[O-]	ZINC000149667218	853993975	/nfs/dbraw/zinc/99/39/75/853993975.db2.gz	UOJFXZCRNWEDAF-GFCCVEGCSA-N	-1	0	261.277	0.830	20	30		CCEDRM
C#CC[C@@H](NC(=O)CSc1nncn1C(C)C)C(=O)[O-]	ZINC000149908369	854008339	/nfs/dbraw/zinc/00/83/39/854008339.db2.gz	CMRVHNCXJHBSCL-SECBINFHSA-N	-1	0	296.352	0.544	20	30		CCEDRM
C#CCOc1ccc(C(=O)[N-]S(=O)(=O)N(C)C)cc1	ZINC001116160748	855725094	/nfs/dbraw/zinc/72/50/94/855725094.db2.gz	CVYJUQZPDQWNKM-UHFFFAOYSA-N	-1	0	282.321	0.235	20	30		CCEDRM
Cn1ncc2c1nc(N=NC1CCC(O)CC1)[n-]c2=O	ZINC001116771035	855830678	/nfs/dbraw/zinc/83/06/78/855830678.db2.gz	BKPLUTIDUMMZLR-UHFFFAOYSA-N	-1	0	276.300	0.772	20	30		CCEDRM
C=CC[C@H](NC(=O)c1cnn2ccc(C)nc12)C(=O)[O-]	ZINC001116922552	855867954	/nfs/dbraw/zinc/86/79/54/855867954.db2.gz	UUKGTJYZYHUNNR-JTQLQIEISA-N	-1	0	274.280	0.797	20	30		CCEDRM
C=C[C@H](COC)NC(=O)C(=O)[N-]OC1CCCCC1	ZINC001117543496	856009355	/nfs/dbraw/zinc/00/93/55/856009355.db2.gz	GTBFQEVUWYWUEP-SNVBAGLBSA-N	-1	0	270.329	0.684	20	30		CCEDRM
CC(C)O[N-]C(=O)CNS(=O)(=O)c1cccc(C#N)c1	ZINC001117769835	856075527	/nfs/dbraw/zinc/07/55/27/856075527.db2.gz	GXHQJRNTFIBTKN-UHFFFAOYSA-N	-1	0	297.336	0.293	20	30		CCEDRM
N#C[C@H]1CC[C@@H](NC(=O)C(=O)[N-]OC2CCOCC2)C1	ZINC001118119762	856168024	/nfs/dbraw/zinc/16/80/24/856168024.db2.gz	QYIMTLOSZSWZDQ-VHSXEESVSA-N	-1	0	281.312	0.022	20	30		CCEDRM
C=CCO[C@H]1CCN(C(=O)NC[C@H](C)C(=O)[O-])C1	ZINC001118326525	856263476	/nfs/dbraw/zinc/26/34/76/856263476.db2.gz	VVQWTLNRNXTIAA-UWVGGRQHSA-N	-1	0	256.302	0.694	20	30		CCEDRM
C#CCO[N-]C(=O)[C@@H]1CC(=O)N(C)c2ccccc21	ZINC001118786909	856442584	/nfs/dbraw/zinc/44/25/84/856442584.db2.gz	QFQHRGQLUQTYOY-LLVKDONJSA-N	-1	0	258.277	0.818	20	30		CCEDRM
C=CCO[C@@H]1CCN(C(=O)C(=O)NCCCCC(=O)[O-])C1	ZINC001119335076	856638937	/nfs/dbraw/zinc/63/89/37/856638937.db2.gz	CKADYYBFJLJDKU-LLVKDONJSA-N	-1	0	298.339	0.161	20	30		CCEDRM
C=C(C)C[C@H](NC(=O)c1cc(CN(C)C)on1)C(=O)[O-]	ZINC001119644741	856805461	/nfs/dbraw/zinc/80/54/61/856805461.db2.gz	HFVGJQSKDHOMPE-NSHDSACASA-N	-1	0	281.312	0.885	20	30		CCEDRM
C=CC[C@H](NC(=O)CN1CCCCCCC1=O)C(=O)[O-]	ZINC001325143708	913242166	/nfs/dbraw/zinc/24/21/66/913242166.db2.gz	MHLXTULEHAKFGM-NSHDSACASA-N	-1	0	282.340	0.925	20	30		CCEDRM
C#C[C@@H]1CCCCN1C(=O)c1cccc(-n2[n-]nnc2=N)c1	ZINC000890657516	891446405	/nfs/dbraw/zinc/44/64/05/891446405.db2.gz	SFVPQDIEEJRZJU-GFCCVEGCSA-N	-1	0	296.334	0.703	20	30		CCEDRM
CC(C)c1ocnc1Cn1c(=O)[n-]cc(C#N)c1=O	ZINC001328379472	915153622	/nfs/dbraw/zinc/15/36/22/915153622.db2.gz	YVGVIUPOCREAJU-UHFFFAOYSA-N	-1	0	260.253	0.568	20	30		CCEDRM
C=C[C@@](C)(CC)C(=O)N[C@H]1CCN(Cc2n[nH]c(=O)[n-]2)C1	ZINC001481692763	893022499	/nfs/dbraw/zinc/02/24/99/893022499.db2.gz	QTRONJXIPPVLAM-HZMBPMFUSA-N	-1	0	293.371	0.803	20	30		CCEDRM
N#Cc1cccc(NC(=O)C(=O)[N-]OC2CCC2)n1	ZINC001326077246	913738862	/nfs/dbraw/zinc/73/88/62/913738862.db2.gz	JPXTYNNZFBBWTM-UHFFFAOYSA-N	-1	0	260.253	0.492	20	30		CCEDRM
Cn1c(=O)[n-]c(NC[C@@H](O)CC(C)(C)C)c(C#N)c1=O	ZINC001364177195	893990360	/nfs/dbraw/zinc/99/03/60/893990360.db2.gz	PNLZRQYBFROXOV-QMMMGPOBSA-N	-1	0	280.328	0.154	20	30		CCEDRM
C=C(C)CO[N-]C(=O)C1(S(C)(=O)=O)CCOCC1	ZINC001326572552	914026663	/nfs/dbraw/zinc/02/66/63/914026663.db2.gz	GWBBLBJCCDNWLA-UHFFFAOYSA-N	-1	0	277.342	0.204	20	30		CCEDRM
CCO[N-]C(=O)CNC(=O)Nc1ccc(OCC#N)cc1	ZINC001326706248	914111572	/nfs/dbraw/zinc/11/15/72/914111572.db2.gz	CWOSECDCALJAJI-UHFFFAOYSA-N	-1	0	292.295	0.778	20	30		CCEDRM
CC[C@@H](C)[C@@](C)(O)CNc1[n-]c(=O)n(C)c(=O)c1C#N	ZINC001364532061	898162525	/nfs/dbraw/zinc/16/25/25/898162525.db2.gz	JOBVMLNEPNMJTN-OQPBUACISA-N	-1	0	280.328	0.154	20	30		CCEDRM
C[C@@H](C#N)S(=O)(=O)[N-]c1nnc(C(F)(F)F)n1C	ZINC001193106617	900031853	/nfs/dbraw/zinc/03/18/53/900031853.db2.gz	UHWRKDBPHXWHKJ-BYPYZUCNSA-N	-1	0	283.235	0.488	20	30		CCEDRM
Cn1nccc1CCC(=O)[N-]S(=O)(=O)CCCC#N	ZINC001320691556	900939053	/nfs/dbraw/zinc/93/90/53/900939053.db2.gz	BNOXSNUYTXRJPZ-UHFFFAOYSA-N	-1	0	284.341	0.102	20	30		CCEDRM
C=CC[C@H](NC(=O)NCC1(OC)CCOCC1)C(=O)[O-]	ZINC001321584100	900979998	/nfs/dbraw/zinc/97/99/98/900979998.db2.gz	XEBDJPUIXGGZJV-JTQLQIEISA-N	-1	0	286.328	0.511	20	30		CCEDRM
COC(=O)C1(C#N)CCN(C(=O)c2c[n-]ncc2=O)CC1	ZINC001412112024	901472715	/nfs/dbraw/zinc/47/27/15/901472715.db2.gz	GRGUBOLKFLBKQV-UHFFFAOYSA-N	-1	0	290.279	0.101	20	30		CCEDRM
N#Cc1nc(NC(=O)[C@@H]2Cc3cccnc3C2)[n-]c1C#N	ZINC001412294483	901624587	/nfs/dbraw/zinc/62/45/87/901624587.db2.gz	UNEUBIPOSQPPEB-SECBINFHSA-N	-1	0	278.275	0.902	20	30		CCEDRM
CC[C@@H](NC(=O)Cn1cc(C#N)c(=O)[n-]c1=O)C1CC1	ZINC001412339755	901651740	/nfs/dbraw/zinc/65/17/40/901651740.db2.gz	JEMSSGKKECYUAD-SNVBAGLBSA-N	-1	0	276.296	0.125	20	30		CCEDRM
CCC1(C(=O)NCCn2cc(C#N)c(=O)[n-]c2=O)CCC1	ZINC001412375298	901671972	/nfs/dbraw/zinc/67/19/72/901671972.db2.gz	SSGTUNYFDPKEBX-UHFFFAOYSA-N	-1	0	290.323	0.517	20	30		CCEDRM
N#CCOc1cccc(NC(=O)CCc2nnn[n-]2)c1	ZINC001412429403	901714916	/nfs/dbraw/zinc/71/49/16/901714916.db2.gz	LMEITEHLLONVOE-UHFFFAOYSA-N	-1	0	272.268	0.673	20	30		CCEDRM
CN(CCc1cccc(C#N)c1)C(=O)c1n[nH]c(=O)[n-]1	ZINC001412866141	902313707	/nfs/dbraw/zinc/31/37/07/902313707.db2.gz	NSCWIUASJHMZIP-UHFFFAOYSA-N	-1	0	271.280	0.697	20	30		CCEDRM
N#Cc1c[n-]c(=O)n(CC(=O)c2ccc(F)c(F)c2)c1=O	ZINC001412920155	902360653	/nfs/dbraw/zinc/36/06/53/902360653.db2.gz	GECFEETWUZARMT-UHFFFAOYSA-N	-1	0	291.213	0.569	20	30		CCEDRM
N#Cc1cn(CC(=O)N[C@H]2CCC[C@H](F)C2)c(=O)[n-]c1=O	ZINC001413176418	902760528	/nfs/dbraw/zinc/76/05/28/902760528.db2.gz	DNEDXENVICSCTQ-UWVGGRQHSA-N	-1	0	294.286	0.217	20	30		CCEDRM
C=CCCC[C@@H](NC(=O)Cc1cc[nH]n1)C(=O)[O-]	ZINC001332645057	904546112	/nfs/dbraw/zinc/54/61/12/904546112.db2.gz	AAXDYARHIRHCJB-SNVBAGLBSA-N	-1	0	251.286	0.878	20	30		CCEDRM
CC[C@@H](C)CCNc1[n-]c(=O)n(C)c(=O)c1C#N	ZINC001339769016	921822982	/nfs/dbraw/zinc/82/29/82/921822982.db2.gz	DJVLMSBEUNEGTL-MRVPVSSYSA-N	-1	0	250.302	0.793	20	30		CCEDRM
CON(CC(C)(C)C)c1[n-]c(=O)n(C)c(=O)c1C#N	ZINC001337160018	921204314	/nfs/dbraw/zinc/20/43/14/921204314.db2.gz	LKTAIUHODLHAGT-UHFFFAOYSA-N	-1	0	266.301	0.359	20	30		CCEDRM
CCOC(C)(C)CNc1[n-]c(=O)n(C)c(=O)c1C#N	ZINC001337843626	921298168	/nfs/dbraw/zinc/29/81/68/921298168.db2.gz	AZTDFJGBJICNSX-UHFFFAOYSA-N	-1	0	266.301	0.172	20	30		CCEDRM
O=C(N[C@H]1CCN(O)C1=O)c1cccc2ccc(=O)[nH]c21	ZINC001298424561	907240535	/nfs/dbraw/zinc/24/05/35/907240535.db2.gz	FLVTZHQRKAPVEJ-JTQLQIEISA-N	-1	0	287.275	0.660	20	30		CCEDRM
C=CC[C@@H]([N-]S(=O)(=O)N=S(C)(C)=O)C(=O)OCC	ZINC001309390754	908461801	/nfs/dbraw/zinc/46/18/01/908461801.db2.gz	MXJDZTLZONVJMP-MRVPVSSYSA-N	-1	0	298.386	0.056	20	30		CCEDRM
C[C@@]1(C#N)CCCN(C(=O)c2n[nH]c(=O)[n-]c2=O)C1	ZINC001320075087	910451879	/nfs/dbraw/zinc/45/18/79/910451879.db2.gz	XHQPMFDQTFILEU-NSHDSACASA-N	-1	0	263.257	0.049	20	30		CCEDRM
C=CCCO[C@@H](C)C(=O)[N-]S(=O)(=O)C(F)F	ZINC001320299408	910592499	/nfs/dbraw/zinc/59/24/99/910592499.db2.gz	QBQODDLDBJSICV-LURJTMIESA-N	-1	0	257.258	0.636	20	30		CCEDRM
N#Cc1ccc(NC(=O)C(=O)[N-]OC[C@@H]2CCOC2)cc1	ZINC001320670735	910788314	/nfs/dbraw/zinc/78/83/14/910788314.db2.gz	NYMTWQUAPKVCDK-LLVKDONJSA-N	-1	0	289.291	0.581	20	30		CCEDRM
CCC(CC)(NC(=O)c1ccc(C#N)n1C)c1nnn[n-]1	ZINC001417774644	921605922	/nfs/dbraw/zinc/60/59/22/921605922.db2.gz	OIJSHNFUCFJKCE-UHFFFAOYSA-N	-1	0	287.327	0.855	20	30		CCEDRM
C=CC[C@@H](NC(=O)NCCCc1nc(C)no1)C(=O)[O-]	ZINC001321110535	911095735	/nfs/dbraw/zinc/09/57/35/911095735.db2.gz	NBSRPYFBEAYPAN-SECBINFHSA-N	-1	0	282.300	0.639	20	30		CCEDRM
Cc1nnc([S-])n(N=Cc2ccnn2C(C)C)c1=O	ZINC001322447063	911805873	/nfs/dbraw/zinc/80/58/73/911805873.db2.gz	VLZKTRSFJHOKTF-UHFFFAOYSA-N	-1	0	278.341	0.895	20	30		CCEDRM
C=CC[C@@H](NC(=O)c1ccc(S(C)(=O)=O)o1)C(=O)[O-]	ZINC001322598888	911878657	/nfs/dbraw/zinc/87/86/57/911878657.db2.gz	HUEGENQFPPSVEY-SSDOTTSWSA-N	-1	0	287.293	0.442	20	30		CCEDRM
C=CC[C@H](NC(=O)[C@H]1CCc2cncn2C1)C(=O)[O-]	ZINC001339523087	921747463	/nfs/dbraw/zinc/74/74/63/921747463.db2.gz	GSJUCVFHEGZWTH-ONGXEEELSA-N	-1	0	263.297	0.591	20	30		CCEDRM
C#C[C@@H]([N-]S(=O)(=O)c1nn(C)cc1[N+](=O)[O-])C(C)C	ZINC001328750135	915409635	/nfs/dbraw/zinc/40/96/35/915409635.db2.gz	XKJPSNQJIIPFMW-MRVPVSSYSA-N	-1	0	286.313	0.264	20	30		CCEDRM
CCC[C@H](OCC)C(=O)[N-]S(=O)(=O)CCCC#N	ZINC001328931985	915527014	/nfs/dbraw/zinc/52/70/14/915527014.db2.gz	JCPPIRBUBDHQFE-JTQLQIEISA-N	-1	0	276.358	0.941	20	30		CCEDRM
C[C@@H]1CN(C(=O)C(=O)NCCCCC#N)CC[C@@H]1C(=O)[O-]	ZINC001329063062	915637737	/nfs/dbraw/zinc/63/77/37/915637737.db2.gz	UFTRFHYPYYLQNU-MNOVXSKESA-N	-1	0	295.339	0.366	20	30		CCEDRM
CC1=CC(=O)C(=C([O-])C=Cc2cn(C)nn2)C(=O)O1	ZINC001329400657	915883169	/nfs/dbraw/zinc/88/31/69/915883169.db2.gz	XGNWJZFAWJDBLG-DLRQAJBASA-N	-1	0	261.237	0.043	20	30		CCEDRM
C=CC1(S(=O)(=O)[N-]C(=O)CCc2ncccn2)CC1	ZINC001329652200	916099345	/nfs/dbraw/zinc/09/93/45/916099345.db2.gz	SQEVQDAXSRNJDV-UHFFFAOYSA-N	-1	0	281.337	0.574	20	30		CCEDRM
C=CC1(S(=O)(=O)[N-]C(=O)[C@@]2(F)CCOC2)CC1	ZINC001330036315	916370793	/nfs/dbraw/zinc/37/07/93/916370793.db2.gz	VGTQNLGNYBBFQO-SNVBAGLBSA-N	-1	0	263.290	0.280	20	30		CCEDRM
C=C[C@@H]1OCC[C@H]1CNC(=O)C(=O)NCCCCC(=O)[O-]	ZINC001331305813	917251654	/nfs/dbraw/zinc/25/16/54/917251654.db2.gz	FMRPMUNXHYDNBG-QWRGUYRKSA-N	-1	0	298.339	0.065	20	30		CCEDRM
C#CCSCC(=O)[N-]S(=O)(=O)c1ccc(C)nc1	ZINC001331917841	917715880	/nfs/dbraw/zinc/71/58/80/917715880.db2.gz	NJGCAQZBZWCXPT-UHFFFAOYSA-N	-1	0	284.362	0.561	20	30		CCEDRM
C=CC[C@@H](NC(=O)c1cc(CO)c(C)o1)C(=O)[O-]	ZINC001332137296	917896671	/nfs/dbraw/zinc/89/66/71/917896671.db2.gz	VDRYHVSXAREGLT-SECBINFHSA-N	-1	0	253.254	0.839	20	30		CCEDRM
C=CC[C@@H](NC(=O)[C@@H](O)c1cccc(OC)c1)C(=O)[O-]	ZINC001332136868	917897034	/nfs/dbraw/zinc/89/70/34/917897034.db2.gz	RTQPCBRPBICLLO-NEPJUHHUSA-N	-1	0	279.292	0.874	20	30		CCEDRM
Cc1n[nH]c(C(=O)N[C@@H]2CC[C@H](CNCC#N)C2)c1[O-]	ZINC001332253162	917993822	/nfs/dbraw/zinc/99/38/22/917993822.db2.gz	KVHHAJVJPKZETF-VHSXEESVSA-N	-1	0	277.328	0.435	20	30		CCEDRM
C=CCC(F)(F)C(=O)N1CCC[C@H](O)[C@@H]1C(=O)[O-]	ZINC001588743046	984035942	/nfs/dbraw/zinc/03/59/42/984035942.db2.gz	QITPYZUGLCGPNL-JGVFFNPUSA-N	-1	0	263.240	0.634	20	30		CCEDRM
C=CC[C@H](NC(=O)[C@H]1CCc2nc[nH]c2C1)C(=O)[O-]	ZINC001332614530	918311932	/nfs/dbraw/zinc/31/19/32/918311932.db2.gz	YRMVOGIXRVBYJN-WPRPVWTQSA-N	-1	0	263.297	0.660	20	30		CCEDRM
C#CCSCC(=O)[N-]S(=O)(=O)CC[C@H]1CCCO1	ZINC001333698768	919107212	/nfs/dbraw/zinc/10/72/12/919107212.db2.gz	QJVAXJSPVRDPOK-SNVBAGLBSA-N	-1	0	291.394	0.368	20	30		CCEDRM
CCCCN(O)C(=O)CNS(=O)(=O)c1ccccc1	ZINC001334070840	919352617	/nfs/dbraw/zinc/35/26/17/919352617.db2.gz	JVJONERVRSWWJA-UHFFFAOYSA-N	-1	0	286.353	0.983	20	30		CCEDRM
C#CC[C@@H](NC(=O)c1cccc(C[S@@](C)=O)c1)C(=O)[O-]	ZINC001334998503	919887879	/nfs/dbraw/zinc/88/78/79/919887879.db2.gz	RMUURWBBCOKTTM-MPBGBICISA-N	-1	0	293.344	0.771	20	30		CCEDRM
Cc1cccc(C#N)c1S(=O)(=O)[N-]N1CCCNC1=O	ZINC001414246746	920261781	/nfs/dbraw/zinc/26/17/81/920261781.db2.gz	JUFCTQJAPBHTGM-UHFFFAOYSA-N	-1	0	294.336	0.475	20	30		CCEDRM
N#CCn1c(C(=O)NCc2nc(=O)o[n-]2)cc2ccccc21	ZINC001336474969	920791628	/nfs/dbraw/zinc/79/16/28/920791628.db2.gz	KJFBNDZVXNFADQ-UHFFFAOYSA-N	-1	0	297.274	0.771	20	30		CCEDRM
Cn1c(=O)[n-]c(NC[C@]2(C)CC2(C)C)c(C#N)c1=O	ZINC001336714294	920946603	/nfs/dbraw/zinc/94/66/03/920946603.db2.gz	JIDDUPKPOIAYCQ-ZDUSSCGKSA-N	-1	0	262.313	0.793	20	30		CCEDRM
CC(C)=CC(=O)N1CC(n2cc(C#N)c(=O)[n-]c2=O)C1	ZINC001336789895	921013979	/nfs/dbraw/zinc/01/39/79/921013979.db2.gz	PTQHDFOJBWOGLY-UHFFFAOYSA-N	-1	0	274.280	0.170	20	30		CCEDRM
CC#CCCNC(=O)N[C@@H]1CCCCN(CC(=O)[O-])C1=O	ZINC001339853316	921854197	/nfs/dbraw/zinc/85/41/97/921854197.db2.gz	FZDXXWVSKQRROX-LLVKDONJSA-N	-1	0	295.339	0.165	20	30		CCEDRM
C=CC[C@@H](NC(=O)[C@@H]1CCCN1C(=O)CCC)C(=O)[O-]	ZINC001339864650	921860299	/nfs/dbraw/zinc/86/02/99/921860299.db2.gz	CYWVNNPTJHRVFU-MNOVXSKESA-N	-1	0	282.340	0.923	20	30		CCEDRM
CN(Cc1nc(=O)o[n-]1)C(=O)c1ccc(C#N)c(O)c1	ZINC001418188349	921882330	/nfs/dbraw/zinc/88/23/30/921882330.db2.gz	NBBRNJIFTIZIFZ-UHFFFAOYSA-N	-1	0	274.236	0.212	20	30		CCEDRM
CC[C@H](C)CCC(=O)NCCn1cc(C#N)c(=O)[n-]c1=O	ZINC001418535869	922231132	/nfs/dbraw/zinc/23/11/32/922231132.db2.gz	DTSVOLBHIAMTCU-JTQLQIEISA-N	-1	0	292.339	0.763	20	30		CCEDRM
C#C[C@H](C)N(C)c1nnc(-c2c[n-]n(CC)c2=O)n1C	ZINC001341788467	922671875	/nfs/dbraw/zinc/67/18/75/922671875.db2.gz	GUCZVWZOOIVZRQ-VIFPVBQESA-N	-1	0	274.328	0.862	20	30		CCEDRM
Cn1ccnc1C([O-])=C(C#N)C(=O)CCc1cnccn1	ZINC001342679106	923051139	/nfs/dbraw/zinc/05/11/39/923051139.db2.gz	APBUJTICNBOKOX-LLVKDONJSA-N	-1	0	283.291	0.734	20	30		CCEDRM
CNC(=O)C(C#N)=C([O-])c1cc(Br)n(C)n1	ZINC001342761017	923082958	/nfs/dbraw/zinc/08/29/58/923082958.db2.gz	JPUJFYADZPNXFW-RXMQYKEDSA-N	-1	0	285.101	0.251	20	30		CCEDRM
C#CCN(CC#C)c1nnc(-c2cc(=O)[nH][n-]2)n1CC(C)C	ZINC001342796177	923089951	/nfs/dbraw/zinc/08/99/51/923089951.db2.gz	URUILNQOXAFHAU-UHFFFAOYSA-N	-1	0	298.350	0.231	20	30		CCEDRM
Cn1ccnc1C([O-])=C(C#N)C(=O)CC1(C)COC1	ZINC001342895270	923126161	/nfs/dbraw/zinc/12/61/61/923126161.db2.gz	OTWAYGXJMPVVGL-SECBINFHSA-N	-1	0	261.281	0.738	20	30		CCEDRM
C=CCNC(=O)C(C#N)=C([O-])c1cc(C2CC2)nn1C	ZINC001343510580	923357908	/nfs/dbraw/zinc/35/79/08/923357908.db2.gz	RCEAPOPZVOMEJW-SNVBAGLBSA-N	-1	0	272.308	0.922	20	30		CCEDRM
Cc1nn(C)c2ncc(C([O-])=C(C#N)C(=O)NC3CC3)cc12	ZINC001344541519	923631460	/nfs/dbraw/zinc/63/14/60/923631460.db2.gz	MPCRWDKQHOYLCW-LBPRGKRZSA-N	-1	0	297.318	0.878	20	30		CCEDRM
COc1cncc(C([O-])=C(C#N)c2ccncn2)n1	ZINC001344623501	923655172	/nfs/dbraw/zinc/65/51/72/923655172.db2.gz	ZXXWOHVMXUSSBR-QMMMGPOBSA-N	-1	0	255.237	0.765	20	30		CCEDRM
C=CCNC(=O)C(C#N)=C([O-])c1cn(C)nc1CC	ZINC001346053045	924055496	/nfs/dbraw/zinc/05/54/96/924055496.db2.gz	BDVBNPVUPCGBFM-VIFPVBQESA-N	-1	0	260.297	0.607	20	30		CCEDRM
Cn1c(=O)[n-]c(N[C@@H](c2ncccn2)C2CC2)c(C#N)c1=O	ZINC001421269655	924250362	/nfs/dbraw/zinc/25/03/62/924250362.db2.gz	WHPZVFBAOGSNGX-SNVBAGLBSA-N	-1	0	298.306	0.298	20	30		CCEDRM
C=CCO[N-]C(=O)Cc1n[nH]c(C2CCOCC2)n1	ZINC001347673507	924508396	/nfs/dbraw/zinc/50/83/96/924508396.db2.gz	BYLWCXKVRDCADN-UHFFFAOYSA-N	-1	0	266.301	0.475	20	30		CCEDRM
C=CCn1cc(C(=O)N(C)C(C)(C)CC(=O)[O-])nn1	ZINC001347928828	924560820	/nfs/dbraw/zinc/56/08/20/924560820.db2.gz	MPPCRDXBHRDLQO-UHFFFAOYSA-N	-1	0	266.301	0.789	20	30		CCEDRM
C=C(C)CO[N-]C(=O)Cn1nc2n(c1=O)CCCCC2	ZINC001349645037	925011054	/nfs/dbraw/zinc/01/10/54/925011054.db2.gz	SKLOQDFVPOBEBH-UHFFFAOYSA-N	-1	0	280.328	0.395	20	30		CCEDRM
C#CCOc1ccc(C(=O)N2CC[C@H](c3nnn[n-]3)C2)cc1	ZINC001350233730	925152266	/nfs/dbraw/zinc/15/22/66/925152266.db2.gz	GXFOQKZHSMIXML-LBPRGKRZSA-N	-1	0	297.318	0.841	20	30		CCEDRM
C=CC[C@H](NC(=O)[C@H]1CCn2cncc2C1)C(=O)[O-]	ZINC001350768391	925275595	/nfs/dbraw/zinc/27/55/95/925275595.db2.gz	LSBNMNVXWWUQNS-ONGXEEELSA-N	-1	0	263.297	0.591	20	30		CCEDRM
C#CC[C@H](NC(=O)CCc1cn(C)nc1C)C(=O)[O-]	ZINC001350779148	925275923	/nfs/dbraw/zinc/27/59/23/925275923.db2.gz	XRBUGZHPFFYACX-NSHDSACASA-N	-1	0	263.297	0.254	20	30		CCEDRM
C=CC[C@H](NC(=O)c1ncccc1N(C)C)C(=O)[O-]	ZINC001354047348	925996253	/nfs/dbraw/zinc/99/62/53/925996253.db2.gz	NQLUJKQCHTVBMX-VIFPVBQESA-N	-1	0	263.297	0.907	20	30		CCEDRM
C=CCO[C@@H]1CCN(C(=O)C(=O)NC[C@@H](CC)C(=O)[O-])C1	ZINC001354271256	926065865	/nfs/dbraw/zinc/06/58/65/926065865.db2.gz	WELCPDISAJPBIF-GHMZBOCLSA-N	-1	0	298.339	0.017	20	30		CCEDRM
C=CCNC(=O)C(C#N)=C([O-])c1cn(C)nc1COC	ZINC001356264373	926363456	/nfs/dbraw/zinc/36/34/56/926363456.db2.gz	ADMJDKYDIAUUSG-SECBINFHSA-N	-1	0	276.296	0.191	20	30		CCEDRM
C=CC[C@@H](NC(=O)[C@H](C)NC(=O)C(C)(C)C)C(=O)[O-]	ZINC000150213261	926947515	/nfs/dbraw/zinc/94/75/15/926947515.db2.gz	NJRPVOMTQKSCJV-DTWKUNHWSA-N	-1	0	270.329	0.683	20	30		CCEDRM
C=CC[C@H](NC(=O)c1cc(C(C)=O)c[nH]1)C(=O)[O-]	ZINC000150068524	926948341	/nfs/dbraw/zinc/94/83/41/926948341.db2.gz	SXERKPICZTZRIY-VIFPVBQESA-N	-1	0	250.254	0.976	20	30		CCEDRM
C=CC[C@H](NC(=O)c1ccc(OC)nc1)C(=O)[O-]	ZINC000150313311	926950651	/nfs/dbraw/zinc/95/06/51/926950651.db2.gz	BZZJZYVDAZPBIC-VIFPVBQESA-N	-1	0	250.254	0.849	20	30		CCEDRM
N#Cc1cn(CC(=O)Nc2cccc(F)c2)c(=O)[n-]c1=O	ZINC001361854744	927390746	/nfs/dbraw/zinc/39/07/46/927390746.db2.gz	LEOFLBJVVRUOCS-UHFFFAOYSA-N	-1	0	288.238	0.598	20	30		CCEDRM
C[C@H](NC(=O)c1n[nH]c(=O)[n-]c1=O)c1ccc(C#N)cc1	ZINC001362071906	927584498	/nfs/dbraw/zinc/58/44/98/927584498.db2.gz	GYRBYAYRTCSAFV-ZETCQYMHSA-N	-1	0	285.263	0.645	20	30		CCEDRM
CCCC1(CNC(=O)Cn2cc(C#N)c(=O)[n-]c2=O)CC1	ZINC001362134895	927649977	/nfs/dbraw/zinc/64/99/77/927649977.db2.gz	QZIAQEWPYSSWIN-UHFFFAOYSA-N	-1	0	290.323	0.517	20	30		CCEDRM
CC[S@@](=O)CCNC(=O)c1[n-]c(=O)c(C#N)cc1C	ZINC001362161201	927680840	/nfs/dbraw/zinc/68/08/40/927680840.db2.gz	NSIUUOYCIDDQJE-LJQANCHMSA-N	-1	0	281.337	0.466	20	30		CCEDRM
CC[C@]1(O)CCN(C(=O)c2[n-]c(=O)c(C#N)cc2C)C1	ZINC001362412575	927983617	/nfs/dbraw/zinc/98/36/17/927983617.db2.gz	XOOCZYDXKQUKKS-AWEZNQCLSA-N	-1	0	275.308	0.954	20	30		CCEDRM
Cc1cc(C#N)c(=O)[n-]c1C(=O)N[C@](C)(C(N)=O)C(C)C	ZINC001362431481	928011140	/nfs/dbraw/zinc/01/11/40/928011140.db2.gz	LDLFODPSFBCQDM-AWEZNQCLSA-N	-1	0	290.323	0.597	20	30		CCEDRM
Cc1cc(C#N)c(=O)[n-]c1C(=O)N1CC[C@@H](CO)[C@@H]1C	ZINC001362585740	928214000	/nfs/dbraw/zinc/21/40/00/928214000.db2.gz	UOWRKPRVIKLLSE-UWVGGRQHSA-N	-1	0	275.308	0.810	20	30		CCEDRM
CN(Cc1nc(=O)o[n-]1)C(=O)C1(C#N)CCSCC1	ZINC001362605550	928239244	/nfs/dbraw/zinc/23/92/44/928239244.db2.gz	MROJFUMPJCVCON-UHFFFAOYSA-N	-1	0	282.325	0.358	20	30		CCEDRM
Cc1cc(C#N)c(=O)[n-]c1C(=O)N[C@@H](C)C1(CO)CC1	ZINC001362663353	928324060	/nfs/dbraw/zinc/32/40/60/928324060.db2.gz	ZESUBINCSKNRTQ-VIFPVBQESA-N	-1	0	275.308	0.858	20	30		CCEDRM
CN(C)c1cccnc1C(=O)Nc1nc(C#N)c(C#N)[n-]1	ZINC001362969266	928710184	/nfs/dbraw/zinc/71/01/84/928710184.db2.gz	JNJFSLVQAQSWMS-UHFFFAOYSA-N	-1	0	281.279	0.866	20	30		CCEDRM
Cc1cc(C#N)c(=O)[n-]c1C(=O)N1CC[C@](O)(C(F)F)C1	ZINC001362996624	928742310	/nfs/dbraw/zinc/74/23/10/928742310.db2.gz	KAVKMKWUSBPQOO-CYBMUJFWSA-N	-1	0	297.261	0.809	20	30		CCEDRM
Cc1cc(C#N)c(=O)[n-]c1C(=O)NCc1cn(C)nn1	ZINC001363015357	928765826	/nfs/dbraw/zinc/76/58/26/928765826.db2.gz	HLTQHJTZJYUWDP-UHFFFAOYSA-N	-1	0	272.268	0.026	20	30		CCEDRM
N#Cc1nc(NC(=O)C2(O)CCSCC2)[n-]c1C#N	ZINC001363152318	928923852	/nfs/dbraw/zinc/92/38/52/928923852.db2.gz	LBSPUUDLNRPSEE-UHFFFAOYSA-N	-1	0	277.309	0.350	20	30		CCEDRM
Cc1oc(C#N)cc1C(=O)N1CC[C@H](c2nnn[n-]2)C1	ZINC001363215965	928984360	/nfs/dbraw/zinc/98/43/60/928984360.db2.gz	FJFVJSCKHOAKPQ-QMMMGPOBSA-N	-1	0	272.268	0.603	20	30		CCEDRM
Cc1cc(C#N)c(=O)[n-]c1C(=O)NC[C@H](O)[C@@H]1CCCO1	ZINC001363256055	929035495	/nfs/dbraw/zinc/03/54/95/929035495.db2.gz	PEFJAUMXORBJPE-QWRGUYRKSA-N	-1	0	291.307	0.237	20	30		CCEDRM
Cc1cc(C#N)c(=O)[n-]c1C(=O)NC[C@@H](O)[C@H]1CCCO1	ZINC001363256053	929036186	/nfs/dbraw/zinc/03/61/86/929036186.db2.gz	PEFJAUMXORBJPE-GHMZBOCLSA-N	-1	0	291.307	0.237	20	30		CCEDRM
N#Cc1ccc(C(=O)N2CCC[C@H](Cc3nnn[n-]3)C2)[nH]1	ZINC001363432956	929223668	/nfs/dbraw/zinc/22/36/68/929223668.db2.gz	JIDADSQSDGUGRF-SECBINFHSA-N	-1	0	285.311	0.494	20	30		CCEDRM
N#Cc1cccc2c1CCN2C(=O)c1n[nH]c(=O)[n-]c1=O	ZINC001363449064	929247466	/nfs/dbraw/zinc/24/74/66/929247466.db2.gz	PAAOOLHZQSUUNO-UHFFFAOYSA-N	-1	0	283.247	0.357	20	30		CCEDRM
N#Cc1ccc(C(=O)N2CCC(c3nnn[n-]3)CC2)[nH]1	ZINC001363518252	929320238	/nfs/dbraw/zinc/32/02/38/929320238.db2.gz	DUVFBFZPHMFGGS-UHFFFAOYSA-N	-1	0	271.284	0.419	20	30		CCEDRM
CN(C)c1cncc(Nc2[n-]c(=O)n(C)c(=O)c2C#N)c1	ZINC001363746600	929540156	/nfs/dbraw/zinc/54/01/56/929540156.db2.gz	YUPZTMIHRZXDSO-UHFFFAOYSA-N	-1	0	286.295	0.150	20	30		CCEDRM
N#CCSc1ccccc1C(=O)Nn1c(=O)[n-][nH]c1=O	ZINC001450463698	931292709	/nfs/dbraw/zinc/29/27/09/931292709.db2.gz	CVTMIAMVGZOAEO-UHFFFAOYSA-N	-1	0	291.292	0.689	20	30		CCEDRM
COCCC(=NNCCC(=O)[O-])C1CCOCC1	ZINC001611000422	970843917	/nfs/dbraw/zinc/84/39/17/970843917.db2.gz	NYZBAVVPWZKSNA-UHFFFAOYSA-N	-1	0	258.318	0.870	20	30		CCEDRM
COCCN(CC(=O)[O-])Cc1c(C#N)cccc1[N+](=O)[O-]	ZINC001611009451	970845935	/nfs/dbraw/zinc/84/59/35/970845935.db2.gz	GFCQVPFBGVEGNW-UHFFFAOYSA-N	-1	0	293.279	0.999	20	30		CCEDRM
Cn1c(CCCCC#N)nnc1N1CC[C@@H](C(=O)[O-])C1	ZINC001600912213	970879300	/nfs/dbraw/zinc/87/93/00/970879300.db2.gz	OBAUEEVIMQAOBX-SNVBAGLBSA-N	-1	0	277.328	0.962	20	30		CCEDRM
C#CC[C@@H](NC(=O)[C@]1(C(=O)[O-])CC1(C)C)C(=O)OC	ZINC001602675109	971245559	/nfs/dbraw/zinc/24/55/59/971245559.db2.gz	KWFFPQGECIHYNI-OQPBUACISA-N	-1	0	267.281	0.168	20	30		CCEDRM
C#CC[C@H](NC(=O)C(CC)(CC)C(=O)[O-])C(=O)OC	ZINC001602675224	971246677	/nfs/dbraw/zinc/24/66/77/971246677.db2.gz	NCVKXWKFMXWKIO-VIFPVBQESA-N	-1	0	269.297	0.559	20	30		CCEDRM
C#CC[C@H](NC(=O)C1(C(=O)[O-])CCCCC1)C(=O)OC	ZINC001602675405	971248949	/nfs/dbraw/zinc/24/89/49/971248949.db2.gz	UTEKREXGTARJAP-JTQLQIEISA-N	-1	0	281.308	0.703	20	30		CCEDRM
C#CCN(CC(=O)[O-])C(=O)C(=O)Nc1cnc(C)c(C)c1	ZINC001602679209	971259280	/nfs/dbraw/zinc/25/92/80/971259280.db2.gz	LEAJTCBGXKKBGN-UHFFFAOYSA-N	-1	0	289.291	0.183	20	30		CCEDRM
C#CCN(CC(=O)[O-])C(=O)[C@@](C)(O)CCc1ccccc1	ZINC001602679319	971259330	/nfs/dbraw/zinc/25/93/30/971259330.db2.gz	NUTHHYLHUYOSNO-INIZCTEOSA-N	-1	0	289.331	0.917	20	30		CCEDRM
C#CCN(CC(=O)[O-])C(=O)CCCC(=O)C1CC1	ZINC001602682157	971265482	/nfs/dbraw/zinc/26/54/82/971265482.db2.gz	HKSBAIBIDNCSCA-UHFFFAOYSA-N	-1	0	251.282	0.682	20	30		CCEDRM
C#CCN(CC(=O)[O-])C(=O)c1c(CC)nn(C)c1Cl	ZINC001602691423	971295399	/nfs/dbraw/zinc/29/53/99/971295399.db2.gz	JCJDTTSCSUHYDY-UHFFFAOYSA-N	-1	0	283.715	0.796	20	30		CCEDRM
C#CCN(CC(=O)[O-])C(=O)c1cn2ccnc2s1	ZINC001602692588	971304272	/nfs/dbraw/zinc/30/42/72/971304272.db2.gz	UQEOSONDYBPYOD-UHFFFAOYSA-N	-1	0	263.278	0.556	20	30		CCEDRM
C#CCOCCOC(=O)C1(CC(=O)[O-])CCOCC1	ZINC001602702089	971330525	/nfs/dbraw/zinc/33/05/25/971330525.db2.gz	HUEJFXFQZCMISS-UHFFFAOYSA-N	-1	0	270.281	0.451	20	30		CCEDRM
C#Cc1ccc(NC(=O)[C@H]2CC(C(=O)[O-])=NO2)cc1	ZINC001602707108	971341467	/nfs/dbraw/zinc/34/14/67/971341467.db2.gz	JUTMCTLNBDPKML-LLVKDONJSA-N	-1	0	258.233	0.836	20	30		CCEDRM
C=C1CC(c2noc(-c3cn(CC(=O)[O-])nn3)n2)C1	ZINC001602712097	971353164	/nfs/dbraw/zinc/35/31/64/971353164.db2.gz	GNRFGWWVOYHBME-UHFFFAOYSA-N	-1	0	261.241	0.846	20	30		CCEDRM
C=C(CCC(=O)OC)C(=O)NC1(C(=O)[O-])CCOCC1	ZINC001602712005	971353401	/nfs/dbraw/zinc/35/34/01/971353401.db2.gz	FJTYHKRDIWCCSX-UHFFFAOYSA-N	-1	0	285.296	0.246	20	30		CCEDRM
C=C(CO)C(=O)N[C@H]1C[C@@H](C(=O)[O-])c2ccccc21	ZINC001602712465	971356421	/nfs/dbraw/zinc/35/64/21/971356421.db2.gz	RSWPOGWGSPPVPZ-NEPJUHHUSA-N	-1	0	261.277	0.964	20	30		CCEDRM
C=C1CCC(C(=O)NCCOCCOCC(=O)[O-])CC1	ZINC001602713289	971363583	/nfs/dbraw/zinc/36/35/83/971363583.db2.gz	XTZKHZFFDZTFLU-UHFFFAOYSA-N	-1	0	285.340	0.967	20	30		CCEDRM
C=C[C@H](C)OC(=O)C1(C(=O)[O-])CCS(=O)(=O)CC1	ZINC001602717704	971371167	/nfs/dbraw/zinc/37/11/67/971371167.db2.gz	YMNWUDCVYVSULJ-QMMMGPOBSA-N	-1	0	276.310	0.384	20	30		CCEDRM
C=CCN1CC[C@@H](OC(=O)[C@@H](C(=O)[O-])C(C)C)C1=O	ZINC001602723041	971392125	/nfs/dbraw/zinc/39/21/25/971392125.db2.gz	JIZMBMNAJYAYRZ-NXEZZACHSA-N	-1	0	269.297	0.673	20	30		CCEDRM
C=CCNC(=O)[C@@H](C)OC(=O)C1(CC(=O)[O-])CCC1	ZINC001602723211	971395453	/nfs/dbraw/zinc/39/54/53/971395453.db2.gz	WCPVBJKVXAAHPG-SECBINFHSA-N	-1	0	269.297	0.865	20	30		CCEDRM
C=CCOCCCn1nnnc1N1CC[C@@](C)(C(=O)[O-])C1	ZINC001602728883	971397195	/nfs/dbraw/zinc/39/71/95/971397195.db2.gz	MTQGYQAJNOAINC-CYBMUJFWSA-N	-1	0	295.343	0.567	20	30		CCEDRM
C=CCn1c(N2CCC[C@H](C(=O)[O-])C2)nnc1C(C)(C)O	ZINC001602729853	971402826	/nfs/dbraw/zinc/40/28/26/971402826.db2.gz	JAJSDDFAAWBOPD-JTQLQIEISA-N	-1	0	294.355	0.993	20	30		CCEDRM
C[C@@](C#N)(CC(=O)[O-])C(=O)N1CCC(F)(F)[C@H](CO)C1	ZINC001602779158	971514554	/nfs/dbraw/zinc/51/45/54/971514554.db2.gz	SFDHRSWUHGJHGZ-KWQFWETISA-N	-1	0	290.266	0.467	20	30		CCEDRM
N#Cc1cc(NC(=O)c2cn(CC(=O)[O-])nn2)ccc1F	ZINC000090719462	949131352	/nfs/dbraw/zinc/13/13/52/949131352.db2.gz	QUYLFWFUKOCADU-UHFFFAOYSA-N	-1	0	289.226	0.626	20	30		CCEDRM
C#CCN(CC(=O)[O-])C(=O)[C@H]1Oc2ccccc2O[C@@H]1C	ZINC000092478461	949150291	/nfs/dbraw/zinc/15/02/91/949150291.db2.gz	KLPKCFYMHSUHJL-YGRLFVJLSA-N	-1	0	289.287	0.761	20	30		CCEDRM
C#CCN(CC(=O)[O-])C(=O)N[C@@H](C)Cn1cccn1	ZINC000092490934	949158665	/nfs/dbraw/zinc/15/86/65/949158665.db2.gz	LNTZKWOYIJCCFD-JTQLQIEISA-N	-1	0	264.285	0.001	20	30		CCEDRM
C#CCN(CC(=O)[O-])C(=O)NCc1cc(C)on1	ZINC000092491217	949160408	/nfs/dbraw/zinc/16/04/08/949160408.db2.gz	KHONZNRJGKWFJR-UHFFFAOYSA-N	-1	0	251.242	0.212	20	30		CCEDRM
CCC[C@@H](C#N)NC(=O)c1cccn(CC(=O)[O-])c1=O	ZINC001589630995	949538522	/nfs/dbraw/zinc/53/85/22/949538522.db2.gz	VQMHTYWAUJHPHK-VIFPVBQESA-N	-1	0	277.280	0.355	20	30		CCEDRM
C#CCN(CC(=O)[O-])C(=O)c1cnc(Cl)cn1	ZINC000230069223	949671118	/nfs/dbraw/zinc/67/11/18/949671118.db2.gz	IQBDBFTXTNKGHG-UHFFFAOYSA-N	-1	0	253.645	0.290	20	30		CCEDRM
C#CCN(CC(=O)[O-])C(=O)N[C@H]1CCC(F)(F)C1	ZINC000310980304	950721392	/nfs/dbraw/zinc/72/13/92/950721392.db2.gz	QXNZGRYQUQNBGS-QMMMGPOBSA-N	-1	0	260.240	0.904	20	30		CCEDRM
O=C([O-])CC[C@H]1CCCCN1C(=O)NCC#CCO	ZINC001595011622	951247557	/nfs/dbraw/zinc/24/75/57/951247557.db2.gz	SMOBWDFJBDLAEF-LLVKDONJSA-N	-1	0	268.313	0.411	20	30		CCEDRM
O=C([O-])CCN(C(=O)C#CC1CC1)C1CCOCC1	ZINC001595053383	951482289	/nfs/dbraw/zinc/48/22/89/951482289.db2.gz	NIKGONCUJGYREH-UHFFFAOYSA-N	-1	0	265.309	0.882	20	30		CCEDRM
C#C[C@@](C)(CC)NS(=O)(=O)c1n[nH]cc1C(=O)[O-]	ZINC000384137679	971912497	/nfs/dbraw/zinc/91/24/97/971912497.db2.gz	CJIBDZLORSWUIE-JTQLQIEISA-N	-1	0	271.298	0.188	20	30		CCEDRM
CCc1ccc(C#CC(=O)N2CCOC[C@@H]2C(=O)[O-])cc1	ZINC001593633771	953595756	/nfs/dbraw/zinc/59/57/56/953595756.db2.gz	NRGWYMPHXWXBPZ-CQSZACIVSA-N	-1	0	287.315	0.913	20	30		CCEDRM
CC(C)[C@@H](C(=O)[O-])C(=O)OCC(=O)N[C@@](C)(C#N)C1CC1	ZINC001602970224	971967849	/nfs/dbraw/zinc/96/78/49/971967849.db2.gz	JWLOQVASENOLIE-FZMZJTMJSA-N	-1	0	296.323	0.695	20	30		CCEDRM
CC(C)[C@@H](C(=O)[O-])C(=O)OCC(=O)N[C@](C)(C#N)C1CC1	ZINC001602970226	971968157	/nfs/dbraw/zinc/96/81/57/971968157.db2.gz	JWLOQVASENOLIE-SMDDNHRTSA-N	-1	0	296.323	0.695	20	30		CCEDRM
C[C@@H]1CCN(C(=O)C2(C#N)CCOCC2)C[C@@H]1C(=O)[O-]	ZINC001589336489	953997146	/nfs/dbraw/zinc/99/71/46/953997146.db2.gz	MIKWCBPCCFCPEM-MNOVXSKESA-N	-1	0	280.324	0.876	20	30		CCEDRM
CC(C)[C@](C)(C#N)NC(=O)CN1[C@@H](C)CC[C@H]1C(=O)[O-]	ZINC001602974421	971982981	/nfs/dbraw/zinc/98/29/81/971982981.db2.gz	HVKQTEACHUKCMM-MJVIPROJSA-N	-1	0	281.356	0.978	20	30		CCEDRM
CN(C)c1cc(C#N)cc(C(=O)OCC(=O)C(=O)[O-])c1	ZINC001593709307	954175476	/nfs/dbraw/zinc/17/54/76/954175476.db2.gz	NMBNPQHKKMBGRI-UHFFFAOYSA-N	-1	0	276.248	0.435	20	30		CCEDRM
CC[C@H](C(=O)[O-])N(C)CC(=O)N(CC)CCC#N	ZINC001589441066	954716630	/nfs/dbraw/zinc/71/66/30/954716630.db2.gz	QJSHCAKQBOBNGJ-SNVBAGLBSA-N	-1	0	255.318	0.544	20	30		CCEDRM
CC[C@@](C)(C#N)NC(=O)[C@H]1CCCN(CC(=O)[O-])C1=O	ZINC001589448014	954782706	/nfs/dbraw/zinc/78/27/06/954782706.db2.gz	VIMNQOOZBCOUCI-RNCFNFMXSA-N	-1	0	281.312	0.118	20	30		CCEDRM
CCC(CC)(C(=O)[O-])C(=O)OCC(=O)NCC#N	ZINC001589480928	954970188	/nfs/dbraw/zinc/97/01/88/954970188.db2.gz	AUWWMBJBNHEGBS-UHFFFAOYSA-N	-1	0	256.258	0.060	20	30		CCEDRM
CC[C@@H](CNC(=O)N1CCO[C@@](C)(C#N)C1)C(=O)[O-]	ZINC001589528986	955140160	/nfs/dbraw/zinc/14/01/60/955140160.db2.gz	OXMPTAPCOIBGPC-CABZTGNLSA-N	-1	0	269.301	0.421	20	30		CCEDRM
Cc1onc(CC(=O)N2CC[C@H](C)[C@@H](C(=O)[O-])C2)c1C#N	ZINC001594510219	955381267	/nfs/dbraw/zinc/38/12/67/955381267.db2.gz	JJXDKLFXRATDJV-KWQFWETISA-N	-1	0	291.307	0.966	20	30		CCEDRM
Cn1c(-c2ccnc(C#N)c2)nnc1N1CC[C@H](C(=O)[O-])C1	ZINC001594515069	955410577	/nfs/dbraw/zinc/41/05/77/955410577.db2.gz	CZEFOVOHELHYDD-JTQLQIEISA-N	-1	0	298.306	0.660	20	30		CCEDRM
Cn1c(Cl)cnc1C(C#N)C(=O)COCC(=O)[O-]	ZINC001594519789	955450125	/nfs/dbraw/zinc/45/01/25/955450125.db2.gz	DPPARWPGWNWBEL-ZCFIWIBFSA-N	-1	0	271.660	0.351	20	30		CCEDRM
Cn1c(C#N)ccc1C(=O)N1CCC[C@@]1(C)C(=O)[O-]	ZINC001594524320	955492292	/nfs/dbraw/zinc/49/22/92/955492292.db2.gz	JBCZBZHLHOPLGC-ZDUSSCGKSA-N	-1	0	261.281	0.976	20	30		CCEDRM
Cn1c(C#N)ccc1C(=O)N[C@@H](Cc1ccncc1)C(=O)[O-]	ZINC001594524384	955494283	/nfs/dbraw/zinc/49/42/83/955494283.db2.gz	NPDWOLBIOVBHHB-LBPRGKRZSA-N	-1	0	298.302	0.717	20	30		CCEDRM
Cn1cc(C#N)cc1C(=O)N1C[C@@H]2COC[C@]2(C(=O)[O-])C1	ZINC001594525531	955499053	/nfs/dbraw/zinc/49/90/53/955499053.db2.gz	HKJYJEKNQMSERL-QMTHXVAHSA-N	-1	0	289.291	0.070	20	30		CCEDRM
Cn1nc(C(=O)[O-])cc1C(=O)OC1CCN(CC#N)CC1	ZINC001594567248	955850266	/nfs/dbraw/zinc/85/02/66/955850266.db2.gz	INVHJFYDYAZRJQ-UHFFFAOYSA-N	-1	0	292.295	0.263	20	30		CCEDRM
CO[C@H](C(=O)[O-])C(=O)Nc1nc2c(cc1C#N)CCCC2	ZINC001593915051	956013914	/nfs/dbraw/zinc/01/39/14/956013914.db2.gz	KZPCYXNRJKSMRE-NSHDSACASA-N	-1	0	289.291	0.870	20	30		CCEDRM
N#CC1(C(=O)Nc2ncn(CC(=O)[O-])n2)CCSCC1	ZINC001594603307	956154808	/nfs/dbraw/zinc/15/48/08/956154808.db2.gz	ABTLRQBAKAXKIS-UHFFFAOYSA-N	-1	0	295.324	0.338	20	30		CCEDRM
N#CC1(CNC(=O)[C@@H]2CCCN(CC(=O)[O-])C2=O)CCC1	ZINC001594604400	956161649	/nfs/dbraw/zinc/16/16/49/956161649.db2.gz	SONNHVBKICTNJJ-JTQLQIEISA-N	-1	0	293.323	0.120	20	30		CCEDRM
N#CC1(CC(=O)N[C@@]2(C(=O)[O-])CCOC2)CCOCC1	ZINC001594604619	956164099	/nfs/dbraw/zinc/16/40/99/956164099.db2.gz	ZFBCIHGPNKJJFZ-ZDUSSCGKSA-N	-1	0	282.296	0.057	20	30		CCEDRM
N#CC[C@@H](NC(=O)NCCC(=O)[O-])C(F)(F)F	ZINC001594605402	956164971	/nfs/dbraw/zinc/16/49/71/956164971.db2.gz	BLGHYCRALXSEKU-RXMQYKEDSA-N	-1	0	253.180	0.605	20	30		CCEDRM
N#C[C@@H]1CCCN(C(=O)C(=O)NCCCCCC(=O)[O-])C1	ZINC001594606514	956183880	/nfs/dbraw/zinc/18/38/80/956183880.db2.gz	YPIFKRMNSIDRKK-NSHDSACASA-N	-1	0	295.339	0.510	20	30		CCEDRM
N#CCC1(O)CN(C(=O)/C=C\c2ccc(C(=O)[O-])o2)C1	ZINC001594606575	956184921	/nfs/dbraw/zinc/18/49/21/956184921.db2.gz	VYHCPSJHZJMHDA-RQOWECAXSA-N	-1	0	276.248	0.478	20	30		CCEDRM
N#CCN1CCC(OC(=O)[C@H]2CC[C@H]2C(=O)[O-])CC1	ZINC001594609829	956195839	/nfs/dbraw/zinc/19/58/39/956195839.db2.gz	LUESQFCZDVPJRY-MNOVXSKESA-N	-1	0	266.297	0.628	20	30		CCEDRM
N#CCN1CCC(CNC(=O)[C@H]2CC[C@@H](C(=O)[O-])C2)CC1	ZINC001594610436	956203462	/nfs/dbraw/zinc/20/34/62/956203462.db2.gz	ZMIJXYGDWYCKHN-QWHCGFSZSA-N	-1	0	293.367	0.839	20	30		CCEDRM
N#CCN(C(=O)[C@H]1CO[C@H](CCC(=O)[O-])C1)C1CC1	ZINC001594610575	956205467	/nfs/dbraw/zinc/20/54/67/956205467.db2.gz	YHSGSHVNVLMASR-MWLCHTKSSA-N	-1	0	266.297	0.771	20	30		CCEDRM
N#CCc1ccccc1CC(=O)NCCOCC(=O)[O-]	ZINC001594611034	956210021	/nfs/dbraw/zinc/21/00/21/956210021.db2.gz	LPVJVRPOCCQDJV-UHFFFAOYSA-N	-1	0	276.292	0.513	20	30		CCEDRM
CO[C@@H]([C@H](C)NC(=O)[C@](C)(C#N)CC(=O)[O-])C1CC1	ZINC001593938413	956248128	/nfs/dbraw/zinc/24/81/28/956248128.db2.gz	MZRDFJFECUHXPK-QWRKXWFKSA-N	-1	0	268.313	0.921	20	30		CCEDRM
N#Cc1ccc(O[C@@H]2CCN(C(=O)CCC(=O)[O-])C2)nc1	ZINC001594624243	956302917	/nfs/dbraw/zinc/30/29/17/956302917.db2.gz	VFOMEZQIZOIOKA-LLVKDONJSA-N	-1	0	289.291	0.798	20	30		CCEDRM
N#Cc1ccc(OCCNC(=O)CCC(=O)[O-])cc1	ZINC001594624269	956303936	/nfs/dbraw/zinc/30/39/36/956303936.db2.gz	WQPKLDUFBCKGMV-UHFFFAOYSA-N	-1	0	262.265	0.918	20	30		CCEDRM
N#Cc1ccc(S(=O)(=O)N[C@H]2CC[C@@H](C(=O)[O-])C2)nc1	ZINC001594627804	956324688	/nfs/dbraw/zinc/32/46/88/956324688.db2.gz	WNKJDTFMACSMLR-ZJUUUORDSA-N	-1	0	295.320	0.485	20	30		CCEDRM
N#Cc1cccc2c1CCN2CC(=O)NCC(=O)[O-]	ZINC001594628695	956334696	/nfs/dbraw/zinc/33/46/96/956334696.db2.gz	LIAVRNYJSFDTRO-UHFFFAOYSA-N	-1	0	259.265	0.122	20	30		CCEDRM
N#Cc1ccccc1C=CC(=O)OCC(=O)C(=O)[O-]	ZINC001594628822	956337041	/nfs/dbraw/zinc/33/70/41/956337041.db2.gz	QWUCTFUQBOCAJS-AATRIKPKSA-N	-1	0	259.217	0.768	20	30		CCEDRM
N#Cc1cnn(C(=O)c2cccc(OCC(=O)[O-])c2)c1N	ZINC001594634969	956365473	/nfs/dbraw/zinc/36/54/73/956365473.db2.gz	TVJWNECZSRYDBG-UHFFFAOYSA-N	-1	0	286.247	0.489	20	30		CCEDRM
CO[C@@H]1CCN(C(=O)[C@](C)(C#N)CC(=O)[O-])C[C@@H]1C	ZINC001593950338	956373902	/nfs/dbraw/zinc/37/39/02/956373902.db2.gz	VSKVNZIGCFMHIP-CWSCBRNRSA-N	-1	0	268.313	0.874	20	30		CCEDRM
COC[C@]1(C(=O)[O-])CCN(C(=O)[C@@]2(C#N)CCCOC2)C1	ZINC001593959526	956473135	/nfs/dbraw/zinc/47/31/35/956473135.db2.gz	AZTHWXXIVXVSBO-KGLIPLIRSA-N	-1	0	296.323	0.256	20	30		CCEDRM
C[C@]1(C#N)CCN(C(=O)NCCOCCOCC(=O)[O-])C1	ZINC001589181838	956529603	/nfs/dbraw/zinc/52/96/03/956529603.db2.gz	RGLJMQMURBPNAP-CYBMUJFWSA-N	-1	0	299.327	0.049	20	30		CCEDRM
C[C@@]1(C#N)CN(CC2(O)CCC(C(=O)[O-])CC2)CCO1	ZINC001589182305	956535088	/nfs/dbraw/zinc/53/50/88/956535088.db2.gz	ZCLIGABFKFJYDS-HRDQMINSSA-N	-1	0	282.340	0.607	20	30		CCEDRM
COC[C@]1(C(=O)[O-])CCN(C(=O)c2ccc(C#N)[nH]2)C1	ZINC001593966042	956538408	/nfs/dbraw/zinc/53/84/08/956538408.db2.gz	VEJBJNBKEYJQIB-ZDUSSCGKSA-N	-1	0	277.280	0.450	20	30		CCEDRM
CC1(C)CCCN(C(=O)COCC(=O)[O-])[C@@H]1C#N	ZINC001589226058	956795398	/nfs/dbraw/zinc/79/53/98/956795398.db2.gz	WFNOYZWWFDFYCH-SECBINFHSA-N	-1	0	254.286	0.628	20	30		CCEDRM
C[C@@H]1C(=O)N(N=Cc2cccn2CC(=O)[O-])C(=O)N1C	ZINC001589259383	957025387	/nfs/dbraw/zinc/02/53/87/957025387.db2.gz	PYRWWHFPAWRQBK-MRVPVSSYSA-N	-1	0	278.268	0.189	20	30		CCEDRM
C#CCNS(=O)(=O)c1c(C)oc(C)c1C(=O)[O-]	ZINC000036732427	957233815	/nfs/dbraw/zinc/23/38/15/957233815.db2.gz	PJALLVAQPUGQPJ-UHFFFAOYSA-N	-1	0	257.267	0.506	20	30		CCEDRM
N#CCCNC(=O)CN1CCCCC[C@@H]1C(=O)[O-]	ZINC000080992581	957776610	/nfs/dbraw/zinc/77/66/10/957776610.db2.gz	HROOUHDSTVCCMB-SNVBAGLBSA-N	-1	0	253.302	0.345	20	30		CCEDRM
C#C[C@@H](NC(=O)N[C@H]1CC[C@@H](C(=O)[O-])C1)C1CCOCC1	ZINC001588385395	957972086	/nfs/dbraw/zinc/97/20/86/957972086.db2.gz	FOKUXPGDRCUKFZ-FRRDWIJNSA-N	-1	0	294.351	0.967	20	30		CCEDRM
C#C[C@H](CC)NC(=O)N[C@H]1CCCCN(CC(=O)[O-])C1=O	ZINC001588387160	957985933	/nfs/dbraw/zinc/98/59/33/957985933.db2.gz	GMIHLZANGCJNCO-MNOVXSKESA-N	-1	0	295.339	0.163	20	30		CCEDRM
C#C[C@H](NC(=O)[C@@]1(C(=O)[O-])CC1(C)C)[C@H]1CCCO1	ZINC001588387391	957987294	/nfs/dbraw/zinc/98/72/94/957987294.db2.gz	IUIUHJQEDWHCAY-IMSIIYSGSA-N	-1	0	265.309	0.784	20	30		CCEDRM
C#CC[C@H](CO)NC(=O)NCc1ccccc1C(=O)[O-]	ZINC001588389107	958004144	/nfs/dbraw/zinc/00/41/44/958004144.db2.gz	NDGZYEOKHNCYJZ-LLVKDONJSA-N	-1	0	276.292	0.568	20	30		CCEDRM
C#CC[C@H](CCOC)NC(=O)C1(CC(=O)[O-])CCOCC1	ZINC001588389266	958005797	/nfs/dbraw/zinc/00/57/97/958005797.db2.gz	QGFRSJHTYUPYLQ-GFCCVEGCSA-N	-1	0	297.351	0.803	20	30		CCEDRM
C#CCCCC(=O)Nc1nc2n(c1C(=O)[O-])CCOC2	ZINC001588391125	958018525	/nfs/dbraw/zinc/01/85/25/958018525.db2.gz	AZDPHQSYGYZPCE-UHFFFAOYSA-N	-1	0	277.280	0.854	20	30		CCEDRM
C#CCC1(O)CCN(Cc2cc(C(=O)[O-])nn2C)CC1	ZINC001588391453	958024337	/nfs/dbraw/zinc/02/43/37/958024337.db2.gz	HJNMEZLYGCYYET-UHFFFAOYSA-N	-1	0	277.324	0.469	20	30		CCEDRM
C#CCN(CC#C)C(=O)C(=O)Nc1ccccc1CC(=O)[O-]	ZINC001588396162	958048465	/nfs/dbraw/zinc/04/84/65/958048465.db2.gz	WDEYWHQVRSXTRT-UHFFFAOYSA-N	-1	0	298.298	0.347	20	30		CCEDRM
C#CCN(C(=O)C(=O)N1CC[C@@H](C)[C@H](C(=O)[O-])C1)C(C)C	ZINC001588396485	958049143	/nfs/dbraw/zinc/04/91/43/958049143.db2.gz	SNFNDVHHFCZQSE-VXGBXAGGSA-N	-1	0	294.351	0.426	20	30		CCEDRM
C#CCCNC(=O)C(=O)Nc1cccc(CCC(=O)[O-])c1	ZINC001588396650	958050861	/nfs/dbraw/zinc/05/08/61/958050861.db2.gz	XEKJCWJLBXQIQI-UHFFFAOYSA-N	-1	0	288.303	0.782	20	30		CCEDRM
C#CCN(CC(=O)[O-])C(=O)N[C@@H](C)Cc1cc(C)n[nH]1	ZINC001588407721	958103611	/nfs/dbraw/zinc/10/36/11/958103611.db2.gz	VBQVJNZBXYODLY-VIFPVBQESA-N	-1	0	278.312	0.379	20	30		CCEDRM
C#CCN(CC(=O)[O-])C(=O)NCCC(O)(CC)CC	ZINC001588408545	958113511	/nfs/dbraw/zinc/11/35/11/958113511.db2.gz	RHUOJHPLGCUUHR-UHFFFAOYSA-N	-1	0	270.329	0.657	20	30		CCEDRM
C[C@H](CNS(=O)(=O)c1ccc(CC#N)cc1)C(=O)[O-]	ZINC000092130817	958160264	/nfs/dbraw/zinc/16/02/64/958160264.db2.gz	ASVKQHDFCAOCDH-SECBINFHSA-N	-1	0	282.321	0.752	20	30		CCEDRM
C#CCN(CC(=O)[O-])C(=O)c1ccc(-n2ccnn2)cc1	ZINC001588416204	958163539	/nfs/dbraw/zinc/16/35/39/958163539.db2.gz	JJFCZESAENPRKY-UHFFFAOYSA-N	-1	0	284.275	0.427	20	30		CCEDRM
C#CCN(CC(=O)[O-])C(=O)c1cc2c(cc1O)OCO2	ZINC001588416727	958165589	/nfs/dbraw/zinc/16/55/89/958165589.db2.gz	SRCWJOLCZJYZOK-UHFFFAOYSA-N	-1	0	277.232	0.281	20	30		CCEDRM
C#CCN(CC(=O)[O-])C(=O)c1cc(F)cc(C)c1N	ZINC001588416977	958167503	/nfs/dbraw/zinc/16/75/03/958167503.db2.gz	ZXENODANVGLAOA-UHFFFAOYSA-N	-1	0	264.256	0.876	20	30		CCEDRM
C#CCN(CC(=O)[O-])C(=O)[C@@H]1C[C@H]1c1ccncc1	ZINC001588417441	958172921	/nfs/dbraw/zinc/17/29/21/958172921.db2.gz	OQNYOGJROHGWOF-NWDGAFQWSA-N	-1	0	258.277	0.732	20	30		CCEDRM
C#CCN(CC(=O)[O-])C[C@H](O)c1ccc(F)cc1	ZINC001588424734	958218728	/nfs/dbraw/zinc/21/87/28/958218728.db2.gz	XBTXXWAJZUEDML-LBPRGKRZSA-N	-1	0	251.257	0.879	20	30		CCEDRM
CN(Cc1cccc(C#N)c1)C(=O)NCCOCC(=O)[O-]	ZINC000093230094	958240008	/nfs/dbraw/zinc/24/00/08/958240008.db2.gz	BCHPINAVZMTHKG-UHFFFAOYSA-N	-1	0	291.307	0.801	20	30		CCEDRM
C#CCOCCC(=O)OCC1(C(=O)[O-])CCOCC1	ZINC001588430845	958263021	/nfs/dbraw/zinc/26/30/21/958263021.db2.gz	HIWKXQUQQBOEMT-UHFFFAOYSA-N	-1	0	270.281	0.451	20	30		CCEDRM
C#CCN1CCCN(C(=O)[C@@H](C(=O)[O-])C(C)C)CC1	ZINC001588431259	958266452	/nfs/dbraw/zinc/26/64/52/958266452.db2.gz	VKZHLJHXNGPQBL-LBPRGKRZSA-N	-1	0	266.341	0.511	20	30		CCEDRM
C=C(Br)CNC(=O)[C@@]1(C(=O)[O-])CCCO1	ZINC001588439774	958322549	/nfs/dbraw/zinc/32/25/49/958322549.db2.gz	RUEHTAADMAMILV-SECBINFHSA-N	-1	0	278.102	0.645	20	30		CCEDRM
C=C(C)C[C@H](CO)NC(=O)C1(C(=O)[O-])CC=CC1	ZINC001588441067	958333730	/nfs/dbraw/zinc/33/37/30/958333730.db2.gz	DRDKXVZRJYVRLU-SNVBAGLBSA-N	-1	0	253.298	0.851	20	30		CCEDRM
C=C(C)[C@H](CC(=O)N1C[C@H]2COC[C@@]2(C(=O)[O-])C1)OCC	ZINC001588441760	958340540	/nfs/dbraw/zinc/34/05/40/958340540.db2.gz	LGVCBRYLNCKBAR-HUBLWGQQSA-N	-1	0	297.351	0.917	20	30		CCEDRM
C=C(C)Cn1c(CO)nnc1N1CC[C@@H](C)[C@@H](C(=O)[O-])C1	ZINC001588442207	958342569	/nfs/dbraw/zinc/34/25/69/958342569.db2.gz	GXGABNQTGCULRG-MNOVXSKESA-N	-1	0	294.355	0.894	20	30		CCEDRM
C=C(C)CN(C)C(=O)C(=O)N1CC[C@@H](C)[C@@H](C(=O)[O-])C1	ZINC001588442704	958348141	/nfs/dbraw/zinc/34/81/41/958348141.db2.gz	VJOHDLYUUJVSBG-MNOVXSKESA-N	-1	0	282.340	0.590	20	30		CCEDRM
C=C(COC(=O)C1(C(=O)[O-])CCC1)C(=O)OCC	ZINC001588445407	958372085	/nfs/dbraw/zinc/37/20/85/958372085.db2.gz	IKNSTNBVTNBQPF-UHFFFAOYSA-N	-1	0	256.254	0.904	20	30		CCEDRM
C=C[C@H](COC)NC(=O)N1CCC[C@H](C(=O)[O-])C1	ZINC001588451072	958405161	/nfs/dbraw/zinc/40/51/61/958405161.db2.gz	LLEMHGHEDNMXNH-VHSXEESVSA-N	-1	0	256.302	0.694	20	30		CCEDRM
C=C[C@H](O)c1nnc(N2CC[C@@H](C(=O)[O-])C2)n1CC1CC1	ZINC001588452419	958422417	/nfs/dbraw/zinc/42/24/17/958422417.db2.gz	OWMJZYLNUBENGY-MNOVXSKESA-N	-1	0	292.339	0.818	20	30		CCEDRM
C=CC[C@H](CO)NC(=O)c1cccc(OCC(=O)[O-])c1	ZINC001588453209	958432844	/nfs/dbraw/zinc/43/28/44/958432844.db2.gz	RXXBGDAAGOHRBV-LLVKDONJSA-N	-1	0	279.292	0.817	20	30		CCEDRM
C=CC[C@@H]1CCN1C(=O)c1cccn(CC(=O)[O-])c1=O	ZINC001588457304	958448278	/nfs/dbraw/zinc/44/82/78/958448278.db2.gz	TYESZRMQPAYCQF-SNVBAGLBSA-N	-1	0	276.292	0.724	20	30		CCEDRM
C=CCC[C@H]1CCCN1C(=O)c1cn(CC(=O)[O-])nn1	ZINC001588458097	958459177	/nfs/dbraw/zinc/45/91/77/958459177.db2.gz	KCUKAEKOSQVIGS-JTQLQIEISA-N	-1	0	278.312	0.934	20	30		CCEDRM
C=CCCn1cc(C[N@H+]2C[C@@H]3COC[C@]3(C(=O)[O-])C2)nn1	ZINC001588460528	958475970	/nfs/dbraw/zinc/47/59/70/958475970.db2.gz	NNZNVJKHVVHGCH-BXUZGUMPSA-N	-1	0	292.339	0.387	20	30		CCEDRM
C=CCO[C@@H]1CCN(CN2C[C@H](C(=O)[O-])CC2=O)C1	ZINC001588465159	958498483	/nfs/dbraw/zinc/49/84/83/958498483.db2.gz	NQHDXLIFHFGZLG-GHMZBOCLSA-N	-1	0	268.313	0.154	20	30		CCEDRM
C=CCNC(=S)N1CC[C@@](COC)(C(=O)[O-])C1	ZINC001588465343	958501239	/nfs/dbraw/zinc/50/12/39/958501239.db2.gz	DIYZTYKPLCQTKR-LLVKDONJSA-N	-1	0	258.343	0.470	20	30		CCEDRM
C=CCS(=O)(=O)CCNC(=O)C(CC)(CC)C(=O)[O-]	ZINC001573336968	958520478	/nfs/dbraw/zinc/52/04/78/958520478.db2.gz	IFDUHHIYVNXBAC-UHFFFAOYSA-N	-1	0	291.369	0.594	20	30		CCEDRM
C=C[C@@H]1OCC[C@H]1Cn1nnnc1N1CC[C@@H](C(=O)[O-])C1	ZINC001588478306	958563526	/nfs/dbraw/zinc/56/35/26/958563526.db2.gz	DQLRKGMDUJBWKU-AXFHLTTASA-N	-1	0	293.327	0.175	20	30		CCEDRM
C=C[C@H](CO)NC(=O)C(=O)Nc1ccc(C(=O)[O-])c(C)c1	ZINC001588478266	958563639	/nfs/dbraw/zinc/56/36/39/958563639.db2.gz	AZXIPKDJJIPQAS-SECBINFHSA-N	-1	0	292.291	0.295	20	30		CCEDRM
Cc1ccc(NCCNC(=O)[C@@](C)(C#N)CC(=O)[O-])nc1	ZINC001594373438	958564917	/nfs/dbraw/zinc/56/49/17/958564917.db2.gz	AULWWAOQXNSBDX-CQSZACIVSA-N	-1	0	290.323	0.923	20	30		CCEDRM
C[C@](C#N)(CC(=O)[O-])C(=O)NCCC[C@@H]1CCOC1=O	ZINC001573364728	958617437	/nfs/dbraw/zinc/61/74/37/958617437.db2.gz	QNJJVXFBHSTDQS-NOZJJQNGSA-N	-1	0	282.296	0.450	20	30		CCEDRM
C[C@](C#N)(CC(=O)[O-])C(=O)N[C@@H]1C[C@@H]2CC[C@H]1O2	ZINC001573365791	958624044	/nfs/dbraw/zinc/62/40/44/958624044.db2.gz	XDCGNHANALZWST-FNOROQBZSA-N	-1	0	252.270	0.427	20	30		CCEDRM
C[C@@](C#N)(CC(=O)[O-])C(=O)N1CC[C@H](N2CCCC2=O)C1	ZINC001588534970	958926379	/nfs/dbraw/zinc/92/63/79/958926379.db2.gz	LKJAMSCHKSYJBH-HZMBPMFUSA-N	-1	0	293.323	0.214	20	30		CCEDRM
C[C@](C#N)(CC(=O)[O-])C(=O)N1CC[C@](O)(C(F)F)C1	ZINC001588536791	958935322	/nfs/dbraw/zinc/93/53/22/958935322.db2.gz	ZOOUULGTJBUAAV-GHMZBOCLSA-N	-1	0	276.239	0.219	20	30		CCEDRM
C[C@](C#N)(CC(=O)[O-])C(=O)N1CCO[C@@H](CF)C1	ZINC001588538322	958940892	/nfs/dbraw/zinc/94/08/92/958940892.db2.gz	HENNXXWEBAFNHI-GZMMTYOYSA-N	-1	0	258.249	0.188	20	30		CCEDRM
C[C@@](C#N)(CC(=O)[O-])C(=O)N1CCC[C@@H](O)CC1	ZINC001588538842	958946419	/nfs/dbraw/zinc/94/64/19/958946419.db2.gz	OHRQJXFXQQAETH-SKDRFNHKSA-N	-1	0	254.286	0.364	20	30		CCEDRM
C[C@](C#N)(CC(=O)[O-])C(=O)OCC[C@@H]1CCOC1	ZINC001588539830	958953104	/nfs/dbraw/zinc/95/31/04/958953104.db2.gz	BHPKJKQJBRKNPC-JOYOIKCWSA-N	-1	0	255.270	0.961	20	30		CCEDRM
C#CC[C@H](NC(=O)c1csc(NC(C)=O)n1)C(=O)[O-]	ZINC000149677189	959022492	/nfs/dbraw/zinc/02/24/92/959022492.db2.gz	JNTNTMYWNCTHCU-ZETCQYMHSA-N	-1	0	281.293	0.308	20	30		CCEDRM
C#CC[C@H](NC(=O)c1ccc2c(c1)OCO2)C(=O)[O-]	ZINC000149931264	959030786	/nfs/dbraw/zinc/03/07/86/959030786.db2.gz	NTPWQLQKXKKFAO-VIFPVBQESA-N	-1	0	261.233	0.622	20	30		CCEDRM
C#CC[C@H](NC(=O)c1ccc(Cl)nc1)C(=O)[O-]	ZINC000149901799	959031123	/nfs/dbraw/zinc/03/11/23/959031123.db2.gz	LRBPXJSIACMLHY-QMMMGPOBSA-N	-1	0	252.657	0.941	20	30		CCEDRM
C[C@@](C#N)(CC(=O)[O-])C(=O)NCCOCC(F)F	ZINC001588556463	959056531	/nfs/dbraw/zinc/05/65/31/959056531.db2.gz	DTWZDAURHSJZDK-JTQLQIEISA-N	-1	0	264.228	0.389	20	30		CCEDRM
CC(C)C[C@@H](NC(=O)CNc1ccc(C#N)cn1)C(=O)[O-]	ZINC001573529726	959160785	/nfs/dbraw/zinc/16/07/85/959160785.db2.gz	YZRSJURZJSDLSA-LLVKDONJSA-N	-1	0	290.323	0.981	20	30		CCEDRM
C[C@H](C(=O)[O-])N(C(=O)c1cc(C#N)cn1C)C1CC1	ZINC001588588999	959328873	/nfs/dbraw/zinc/32/88/73/959328873.db2.gz	AFNOUEVBGBODHW-MRVPVSSYSA-N	-1	0	261.281	0.974	20	30		CCEDRM
C[C@@H]1C[C@H](O)CN(C(=O)[C@@](C)(C#N)CC(=O)[O-])C1	ZINC001594229748	959460693	/nfs/dbraw/zinc/46/06/93/959460693.db2.gz	SHJOESVRXVWHCO-VDDIYKPWSA-N	-1	0	254.286	0.220	20	30		CCEDRM
CC(C)(C#N)NC(=O)[C@H]1CO[C@H](CCC(=O)[O-])C1	ZINC001588607853	959497410	/nfs/dbraw/zinc/49/74/10/959497410.db2.gz	VXPOKSBTUAPIAJ-RKDXNWHRSA-N	-1	0	254.286	0.675	20	30		CCEDRM
Cc1[nH]c(C#N)cc1C(=O)O[C@@H]1CCN(CC(=O)[O-])C1=O	ZINC001594248027	959597770	/nfs/dbraw/zinc/59/77/70/959597770.db2.gz	UWTUDZCPXFWZKM-SNVBAGLBSA-N	-1	0	291.263	0.037	20	30		CCEDRM
C[C@]1(C#N)CCCN(C(=O)[C@@H]2CC(C(=O)[O-])=NO2)C1	ZINC001573643362	959627043	/nfs/dbraw/zinc/62/70/43/959627043.db2.gz	OGXRXFZQKVFCHL-JOYOIKCWSA-N	-1	0	265.269	0.368	20	30		CCEDRM
Cc1nnc(CNC(=O)[C@@](C)(C#N)CC(=O)[O-])n1C1CC1	ZINC001594491274	959712108	/nfs/dbraw/zinc/71/21/08/959712108.db2.gz	OUKFLZUOFDKPGC-CYBMUJFWSA-N	-1	0	291.311	0.542	20	30		CCEDRM
CCC[N@H+](CC(=O)[O-])Cc1cc(=O)n2[n-]cc(C#N)c2n1	ZINC001573752297	960556435	/nfs/dbraw/zinc/55/64/35/960556435.db2.gz	GUYIVTNXGAHJHC-UHFFFAOYSA-N	-1	0	289.295	0.603	20	30		CCEDRM
C#CCCCCC(=O)N[C@H](Cc1c[nH]cn1)C(=O)[O-]	ZINC000236440702	960604737	/nfs/dbraw/zinc/60/47/37/960604737.db2.gz	GIERMYMCFLAFQX-LLVKDONJSA-N	-1	0	263.297	0.715	20	30		CCEDRM
CC[C@H](CC#N)NC(=O)c1cccn(CC(=O)[O-])c1=O	ZINC001573775991	960677503	/nfs/dbraw/zinc/67/75/03/960677503.db2.gz	GTNPKKPWHKKMSD-SECBINFHSA-N	-1	0	277.280	0.355	20	30		CCEDRM
N#Cc1c[n-]n2c1nc(C[N@@H+]1C[C@H]3[C@H](C(=O)[O-])[C@H]3C1)cc2=O	ZINC001571066842	960839232	/nfs/dbraw/zinc/83/92/32/960839232.db2.gz	LQLZTKGVERMCGA-IAZYJMLFSA-N	-1	0	299.290	0.069	20	30		CCEDRM
C=CCO[C@@H]1CCN(S(=O)(=O)CCCC(=O)[O-])C1	ZINC001326326164	961082661	/nfs/dbraw/zinc/08/26/61/961082661.db2.gz	QYBOOZCEYZAGIS-SNVBAGLBSA-N	-1	0	277.342	0.458	20	30		CCEDRM
CC(C)[C@@H](C(=O)[O-])C(=O)NCCNc1ncccc1C#N	ZINC001588804750	961469034	/nfs/dbraw/zinc/46/90/34/961469034.db2.gz	IZINOWCYLUBECQ-LLVKDONJSA-N	-1	0	290.323	0.838	20	30		CCEDRM
Cn1nc(C(=O)[O-])cc1C(=O)N(CCC#N)CCC#N	ZINC001574462612	961548355	/nfs/dbraw/zinc/54/83/55/961548355.db2.gz	WRBDBZLBKQWAFD-UHFFFAOYSA-N	-1	0	275.268	0.388	20	30		CCEDRM
Cn1cnc(CCNC(=O)[C@@](C)(C#N)CC(=O)[O-])c1	ZINC001574462623	961548902	/nfs/dbraw/zinc/54/89/02/961548902.db2.gz	FQOKIBNWOCIERO-GFCCVEGCSA-N	-1	0	264.285	0.083	20	30		CCEDRM
Cn1nccc1[C@@H](NCc1cc(C#N)ccn1)C(=O)[O-]	ZINC001574472554	961609962	/nfs/dbraw/zinc/60/99/62/961609962.db2.gz	NJGHQDYUWPOZIX-GFCCVEGCSA-N	-1	0	271.280	0.602	20	30		CCEDRM
N#Cc1c(NC(=O)CCCC(=O)[O-])nc2n1CCOC2	ZINC001574480174	961658663	/nfs/dbraw/zinc/65/86/63/961658663.db2.gz	XVHRROVEURXRAS-UHFFFAOYSA-N	-1	0	278.268	0.478	20	30		CCEDRM
N#Cc1cc(NC(=O)N[C@]2(C(=O)[O-])CCOC2)ccn1	ZINC001574485849	961680198	/nfs/dbraw/zinc/68/01/98/961680198.db2.gz	KUXFLKSKNGSBID-GFCCVEGCSA-N	-1	0	276.252	0.318	20	30		CCEDRM
N#Cc1cccnc1N1C[C@H]2COC[C@@]2(C(=O)[O-])C1	ZINC001574493122	961718849	/nfs/dbraw/zinc/71/88/49/961718849.db2.gz	KEBHSSJBGPNXGY-GWCFXTLKSA-N	-1	0	259.265	0.491	20	30		CCEDRM
CN(CCC(=O)[O-])S(=O)(=O)c1ccc(C#N)cn1	ZINC001574005030	961892446	/nfs/dbraw/zinc/89/24/46/961892446.db2.gz	VNQUPGUAPSOADK-UHFFFAOYSA-N	-1	0	269.282	0.048	20	30		CCEDRM
COC(=O)CCN(CC(=O)[O-])C(=O)c1coc(C#N)c1	ZINC001574056896	962196782	/nfs/dbraw/zinc/19/67/82/962196782.db2.gz	VHJQLVWNSFOKDJ-UHFFFAOYSA-N	-1	0	280.236	0.241	20	30		CCEDRM
COC(=O)C[C@H](C)NC(=O)[C@](C)(C#N)CC(=O)[O-]	ZINC001574069393	962240555	/nfs/dbraw/zinc/24/05/55/962240555.db2.gz	AUMCXADRWKRYCE-CPCISQLKSA-N	-1	0	256.258	0.059	20	30		CCEDRM
COCC[C@](C)(C#N)NC(=O)[C@@H]1CC[C@H]1C(=O)[O-]	ZINC001574142925	962595381	/nfs/dbraw/zinc/59/53/81/962595381.db2.gz	JIYHYPSIEUYXFW-KBVBSXBZSA-N	-1	0	254.286	0.532	20	30		CCEDRM
C#CC[C@H](NC(=O)[C@H](C)Cc1c(C)n[nH]c1C)C(=O)[O-]	ZINC001573301768	962636159	/nfs/dbraw/zinc/63/61/59/962636159.db2.gz	FFHUTGQKOCEISA-PELKAZGASA-N	-1	0	277.324	0.798	20	30		CCEDRM
C#CCN(C1CC1)S(=O)(=O)[C@H]1CC[C@@H](C(=O)[O-])C1	ZINC001573302524	962655444	/nfs/dbraw/zinc/65/54/44/962655444.db2.gz	XPVPXZDDWZRBEN-KOLCDFICSA-N	-1	0	271.338	0.667	20	30		CCEDRM
C#CCC[C@H](O)CNC(=O)Nc1cc(C(=O)[O-])nn1C	ZINC001573302952	962666594	/nfs/dbraw/zinc/66/65/94/962666594.db2.gz	IBSXYMGWWBVTBH-QMMMGPOBSA-N	-1	0	280.284	0.014	20	30		CCEDRM
C#CCCCC(=O)N1CCC[C@@H](NC(=O)CNC(=O)[O-])C1	ZINC001573303284	962673920	/nfs/dbraw/zinc/67/39/20/962673920.db2.gz	NFMNDRXGZAPUSV-LLVKDONJSA-N	-1	0	295.339	0.165	20	30		CCEDRM
C=C(C)CCN1CC(NC(=O)[C@@H]2C[C@@H]2C(=O)[O-])C1	ZINC001573324558	962786690	/nfs/dbraw/zinc/78/66/90/962786690.db2.gz	UXEONNGMJSTKEJ-MNOVXSKESA-N	-1	0	252.314	0.474	20	30		CCEDRM
C#CCN1CCCN(C(=O)[C@H]2CC[C@H]2C(=O)[O-])CC1	ZINC001573327131	962807623	/nfs/dbraw/zinc/80/76/23/962807623.db2.gz	FIBBHQWAQHTCHZ-NWDGAFQWSA-N	-1	0	264.325	0.265	20	30		CCEDRM
C=C(CCC(=O)[O-])C(=O)N1CCC[C@@H](c2nnc[nH]2)C1	ZINC001573331778	962816956	/nfs/dbraw/zinc/81/69/56/962816956.db2.gz	AMTBFVPQRMIBNP-SNVBAGLBSA-N	-1	0	278.312	0.932	20	30		CCEDRM
C=C(CCC(=O)[O-])C(=O)N[C@H]1CN(c2ccccc2)C1=O	ZINC001573331936	962819793	/nfs/dbraw/zinc/81/97/93/962819793.db2.gz	BGGHIAYFPYJQHE-LBPRGKRZSA-N	-1	0	288.303	0.939	20	30		CCEDRM
C=C(CCC(=O)[O-])C(=O)NCCCN1CCOCC1	ZINC001573332294	962829547	/nfs/dbraw/zinc/82/95/47/962829547.db2.gz	GTRNGOXISBPUEO-UHFFFAOYSA-N	-1	0	270.329	0.246	20	30		CCEDRM
C=C(CCC(=O)[O-])C(=O)NC1CCS(=O)(=O)CC1	ZINC001573332550	962837465	/nfs/dbraw/zinc/83/74/65/962837465.db2.gz	LJHZBQHRKFDCQK-UHFFFAOYSA-N	-1	0	275.326	0.101	20	30		CCEDRM
C=C(CCC(=O)[O-])C(=O)NCC1(S(C)(=O)=O)CCC1	ZINC001573332746	962840851	/nfs/dbraw/zinc/84/08/51/962840851.db2.gz	OHCZUSCPQXGMBV-UHFFFAOYSA-N	-1	0	289.353	0.491	20	30		CCEDRM
C=C(CCC(=O)[O-])C(=O)N1CCCC2(C1)OCCO2	ZINC001573332765	962842405	/nfs/dbraw/zinc/84/24/05/962842405.db2.gz	RNTXYDVCNGBOGZ-UHFFFAOYSA-N	-1	0	269.297	0.773	20	30		CCEDRM
Cc1nn(C)c(NC(=O)c2ccc(C(=O)[O-])cn2)c1C#N	ZINC001574197629	962882929	/nfs/dbraw/zinc/88/29/29/962882929.db2.gz	CGPRKLSBEMBGME-UHFFFAOYSA-N	-1	0	285.263	0.946	20	30		CCEDRM
C=C(Cl)CN1CC[C@H]1CN(C)C(=O)CNC(=O)[O-]	ZINC001573338878	962883262	/nfs/dbraw/zinc/88/32/62/962883262.db2.gz	JUWDTXWQMQJUSD-VIFPVBQESA-N	-1	0	275.736	0.539	20	30		CCEDRM
C=CCC(C)(C)C(=O)N1CC[C@@H]1CNC(=O)CNC(=O)[O-]	ZINC001573351240	962976241	/nfs/dbraw/zinc/97/62/41/962976241.db2.gz	RDPAKXOJMKXVNL-SNVBAGLBSA-N	-1	0	297.355	0.573	20	30		CCEDRM
CC(=O)N[C@@H](CSc1ncccc1C#N)C(=O)[O-]	ZINC000300448447	963010296	/nfs/dbraw/zinc/01/02/96/963010296.db2.gz	RWMYNLFPLIMCPK-VIFPVBQESA-N	-1	0	265.294	0.635	20	30		CCEDRM
Cc1nc(C#N)c(C#N)n1Cc1cnc(C(=O)[O-])cn1	ZINC001570988955	963130715	/nfs/dbraw/zinc/13/07/15/963130715.db2.gz	AALXXFPIUOWJLP-UHFFFAOYSA-N	-1	0	268.236	0.471	20	30		CCEDRM
N#C[C@@H]1CN(C(=O)[C@H]2CC[C@@H](CCC(=O)[O-])O2)CCO1	ZINC001571019290	963328822	/nfs/dbraw/zinc/32/88/22/963328822.db2.gz	TXWRZQNOMYUCEU-HBNTYKKESA-N	-1	0	282.296	0.150	20	30		CCEDRM
C#CCN(CC#N)S(=O)(=O)Cc1ccc(C(=O)[O-])cc1	ZINC000312155569	963539202	/nfs/dbraw/zinc/53/92/02/963539202.db2.gz	CEIGHASJPAKKIO-UHFFFAOYSA-N	-1	0	292.316	0.673	20	30		CCEDRM
CC(C)(CC#N)CNS(=O)(=O)CCCC(=O)[O-]	ZINC000315496934	963909102	/nfs/dbraw/zinc/90/91/02/963909102.db2.gz	XQPNLKLXCOADQC-UHFFFAOYSA-N	-1	0	262.331	0.710	20	30		CCEDRM
C#CCCCNC(=O)C(=O)N1CCC(CC(=O)[O-])CC1	ZINC001588446618	964076029	/nfs/dbraw/zinc/07/60/29/964076029.db2.gz	SVLJMZPGQXMJCU-UHFFFAOYSA-N	-1	0	280.324	0.229	20	30		CCEDRM
N#Cc1ncccc1S(=O)(=O)N1CCC[C@H]1C(=O)[O-]	ZINC000236434766	967774662	/nfs/dbraw/zinc/77/46/62/967774662.db2.gz	ZENAXHJVVOAPRX-VIFPVBQESA-N	-1	0	281.293	0.191	20	30		CCEDRM
C#C[C@H](NC(=O)N[C@@H](C)CC(=O)[O-])[C@H]1CCCO1	ZINC001609623775	970422400	/nfs/dbraw/zinc/42/24/00/970422400.db2.gz	BESDMVJTMNBSTN-LPEHRKFASA-N	-1	0	254.286	0.330	20	30		CCEDRM
C[C@](C#N)(CC(=O)[O-])C(=O)N1CCC(C)(CO)CC1	ZINC001610053504	970646766	/nfs/dbraw/zinc/64/67/66/970646766.db2.gz	BRYJDAITJBHGBG-CYBMUJFWSA-N	-1	0	268.313	0.612	20	30		CCEDRM
CC1(C)C[C@]1(C(=O)[O-])C(=O)OCC(=O)NCCC#N	ZINC001603323911	972664095	/nfs/dbraw/zinc/66/40/95/972664095.db2.gz	MZGKNODLVDHMRW-LBPRGKRZSA-N	-1	0	268.269	0.060	20	30		CCEDRM
Cc1c(C(=O)N[C@H]2C[C@@H](C(=O)[O-])C2)cnn1CCC#N	ZINC001605076112	972702762	/nfs/dbraw/zinc/70/27/62/972702762.db2.gz	BIYGOLAMAFGMLZ-AOOOYVTPSA-N	-1	0	276.296	0.698	20	30		CCEDRM
N#CCc1ccc(NC(=O)NC[C@@H](O)CC(=O)[O-])cc1	ZINC000398346884	973124311	/nfs/dbraw/zinc/12/43/11/973124311.db2.gz	UYDALUSLYUYSTL-NSHDSACASA-N	-1	0	277.280	0.710	20	30		CCEDRM
CO[C@@H](C(=O)[O-])C(=O)Nc1n[nH]c2cc(C#N)c(C)cc21	ZINC001604440548	973240116	/nfs/dbraw/zinc/24/01/16/973240116.db2.gz	DGMRTODNBRGOKV-SNVBAGLBSA-N	-1	0	288.263	0.781	20	30		CCEDRM
C[C@@H]1CN(C(=O)NCCCC(=O)[O-])C[C@H](C)N1CC#N	ZINC001603450531	973254319	/nfs/dbraw/zinc/25/43/19/973254319.db2.gz	YNIVUAKGGFISAF-PHIMTYICSA-N	-1	0	282.344	0.479	20	30		CCEDRM
Cc1[nH]nc(NC(=O)[C@@H](C(=O)[O-])C(C)C)c1C#N	ZINC001605388028	973356504	/nfs/dbraw/zinc/35/65/04/973356504.db2.gz	BCTDYJRHCWEZKP-QMMMGPOBSA-N	-1	0	250.258	0.885	20	30		CCEDRM
Cc1cc(C)c(C#N)c(N2C[C@H](O)C[C@H](C(=O)[O-])C2)n1	ZINC000401879129	973487087	/nfs/dbraw/zinc/48/70/87/973487087.db2.gz	HANJLMFOPPLSNK-WDEREUQCSA-N	-1	0	275.308	0.842	20	30		CCEDRM
Cc1ccnc(N2C[C@@H](O)C[C@H](C(=O)[O-])C2)c1C#N	ZINC000401968045	973573861	/nfs/dbraw/zinc/57/38/61/973573861.db2.gz	HQGIEVDQPOHMMH-UWVGGRQHSA-N	-1	0	261.281	0.534	20	30		CCEDRM
N#C[C@]1(C(=O)N[C@H]2CCC[C@H]2C(=O)[O-])CCCOC1	ZINC001605576723	973850990	/nfs/dbraw/zinc/85/09/90/973850990.db2.gz	SODMEWHGUMYWMH-GBIKHYSHSA-N	-1	0	266.297	0.676	20	30		CCEDRM
N#CC1(COC(=O)[C@@H]2CCCN(CC(=O)[O-])C2=O)CC1	ZINC001605582649	973865976	/nfs/dbraw/zinc/86/59/76/973865976.db2.gz	AWSDOPGLGUGGGN-SECBINFHSA-N	-1	0	280.280	0.157	20	30		CCEDRM
N#CC1(CNC(=O)N[C@H]2C[C@@H](C(=O)[O-])C2)CCC1	ZINC001605582894	973868572	/nfs/dbraw/zinc/86/85/72/973868572.db2.gz	IROOJTLCCRZZQG-DTORHVGOSA-N	-1	0	251.286	0.843	20	30		CCEDRM
N#CCN(C(=O)c1cn(CC(=O)[O-])nn1)c1ccccc1	ZINC001605585565	973877616	/nfs/dbraw/zinc/87/76/16/973877616.db2.gz	GASCXZKQXKXGJK-UHFFFAOYSA-N	-1	0	285.263	0.533	20	30		CCEDRM
N#CCN1CCN(C(=O)CCCCC(=O)[O-])CC1	ZINC001605585879	973879343	/nfs/dbraw/zinc/87/93/43/973879343.db2.gz	KXFRFVOAPPRUQT-UHFFFAOYSA-N	-1	0	253.302	0.299	20	30		CCEDRM
N#Cc1c(NC(=O)CCCCC(=O)[O-])nc2n1CCOC2	ZINC001605590367	973883045	/nfs/dbraw/zinc/88/30/45/973883045.db2.gz	BSJXIZNOZHXUAA-UHFFFAOYSA-N	-1	0	292.295	0.868	20	30		CCEDRM
N#CCn1cc(NC(=O)c2ccc(C(=O)[O-])nc2)cn1	ZINC001605601263	973901533	/nfs/dbraw/zinc/90/15/33/973901533.db2.gz	GJEZTMQZWRMBRN-UHFFFAOYSA-N	-1	0	271.236	0.752	20	30		CCEDRM
N#Cc1ccc(CNC(=O)[C@]2(C(=O)[O-])CCCO2)s1	ZINC001605601965	973909230	/nfs/dbraw/zinc/90/92/30/973909230.db2.gz	HYZUAZKWSPQDQW-LBPRGKRZSA-N	-1	0	280.305	0.870	20	30		CCEDRM
N#Cc1cnc(C(=O)N[C@@]2(C(=O)[O-])CCOC2)c(Cl)c1	ZINC001605622878	973945294	/nfs/dbraw/zinc/94/52/94/973945294.db2.gz	GSVHBWHGAFUPLD-LBPRGKRZSA-N	-1	0	295.682	0.580	20	30		CCEDRM
N#CC1(CS(=O)(=O)N2CCSC[C@@H]2C(=O)[O-])CC1	ZINC000417449726	973953506	/nfs/dbraw/zinc/95/35/06/973953506.db2.gz	AJJTUAJDOOYNSK-MRVPVSSYSA-N	-1	0	290.366	0.122	20	30		CCEDRM
N#Cc1cncnc1NC[C@@H]1CCC2(CC(C(=O)[O-])C2)O1	ZINC001605626446	973954131	/nfs/dbraw/zinc/95/41/31/973954131.db2.gz	JLKWRXSOLSSMSE-ZQDGQSPWSA-N	-1	0	288.307	0.594	20	30		CCEDRM
C=CCCCS(=O)(=O)N1CCSC[C@H]1C(=O)[O-]	ZINC000417474960	973957228	/nfs/dbraw/zinc/95/72/28/973957228.db2.gz	OLTVIVMYECMXHV-VIFPVBQESA-N	-1	0	279.383	0.784	20	30		CCEDRM
CCCN1C[C@H](CNC(=O)[C@](C)(C#N)CC(=O)[O-])CC1=O	ZINC001603672532	974050200	/nfs/dbraw/zinc/05/02/00/974050200.db2.gz	JOFVLWDZUHECTC-HZMBPMFUSA-N	-1	0	295.339	0.366	20	30		CCEDRM
CCc1nc([C@@H](C)OC(=O)[C@](C)(C#N)CC(=O)[O-])n[nH]1	ZINC001603980830	974478890	/nfs/dbraw/zinc/47/88/90/974478890.db2.gz	QVFVDRKSYDILJW-KRTXAFLBSA-N	-1	0	280.284	0.976	20	30		CCEDRM
CC(C)OC[C@@H](O)Cn1cc(C(=O)[O-])cc(C#N)c1=O	ZINC001591718603	975629390	/nfs/dbraw/zinc/62/93/90/975629390.db2.gz	RBGVQAONSGWCLR-NSHDSACASA-N	-1	0	280.280	0.204	20	30		CCEDRM
N#Cc1ccc(S(=O)(=O)N[C@H]2C[C@@H](C(=O)[O-])C2)cc1	ZINC000693419882	976628420	/nfs/dbraw/zinc/62/84/20/976628420.db2.gz	ZJFLQJWPVKZSME-AOOOYVTPSA-N	-1	0	280.305	0.700	20	30		CCEDRM
C[C@H](CC(=O)[O-])S(=O)(=O)Cc1cc(C#N)ccn1	ZINC001592421019	978031820	/nfs/dbraw/zinc/03/18/20/978031820.db2.gz	PJZIKASWUMPWPR-MRVPVSSYSA-N	-1	0	268.294	0.731	20	30		CCEDRM
CC[C@@H](C(=O)[O-])C(=O)O[C@H](C)C(=O)NC1(C#N)CCC1	ZINC001594766609	981723500	/nfs/dbraw/zinc/72/35/00/981723500.db2.gz	YTHYPMJALOFXOT-BDAKNGLRSA-N	-1	0	282.296	0.591	20	30		CCEDRM
CC[C@](C)(C#N)C(=O)N[C@H](CC1OCCO1)C(=O)[O-]	ZINC001594778143	981772583	/nfs/dbraw/zinc/77/25/83/981772583.db2.gz	IZWZLTVPOGLWCB-PRHODGIISA-N	-1	0	270.285	0.259	20	30		CCEDRM
CCCC[C@@H](ON=C(C)C)C(=O)N[C@](C)(CO)C(=O)[O-]	ZINC001595652867	982038190	/nfs/dbraw/zinc/03/81/90/982038190.db2.gz	YDOSJSPZVSYUDT-ZWNOBZJWSA-N	-1	0	288.344	0.909	20	30		CCEDRM
CCCCCNC(=O)[C@H](C#N)C(=O)[C@@H]1CC[C@H](C(=O)[O-])O1	ZINC001595716731	982324811	/nfs/dbraw/zinc/32/48/11/982324811.db2.gz	JKXPHVUKEYBKDD-OUAUKWLOSA-N	-1	0	296.323	0.634	20	30		CCEDRM
Cc1nc(C#N)c(C#N)n1Cc1cc(C(=O)[O-])no1	ZINC001574182502	983183852	/nfs/dbraw/zinc/18/38/52/983183852.db2.gz	NZISKWRLVXICSJ-UHFFFAOYSA-N	-1	0	257.209	0.669	20	30		CCEDRM
N#CCn1cc(NC(=O)c2cc(C(=O)[O-])no2)cn1	ZINC001574242055	983200717	/nfs/dbraw/zinc/20/07/17/983200717.db2.gz	VOEVPROTGHJYHN-UHFFFAOYSA-N	-1	0	261.197	0.345	20	30		CCEDRM
C#CC(C)(C)N(C)S(=O)(=O)CC1(C(=O)[O-])CC1	ZINC001588367426	983298761	/nfs/dbraw/zinc/29/87/61/983298761.db2.gz	SUTUTTZULALLDF-UHFFFAOYSA-N	-1	0	259.327	0.525	20	30		CCEDRM
C#C[C@H](C)NC(=O)C(=O)Nc1cc(C)cc(C(=O)[O-])c1	ZINC001588367703	983301221	/nfs/dbraw/zinc/30/12/21/983301221.db2.gz	ALBQMAMJCRRFCE-VIFPVBQESA-N	-1	0	274.276	0.770	20	30		CCEDRM
C#C[C@H](C)NC(=O)C(=O)Nc1cc(C(=O)[O-])ccc1C	ZINC001588367963	983302539	/nfs/dbraw/zinc/30/25/39/983302539.db2.gz	DXQYWPMOUBVFFK-VIFPVBQESA-N	-1	0	274.276	0.770	20	30		CCEDRM
C#C[C@H](C)NC(=O)C(=O)Nc1ccc(CC(=O)[O-])cc1	ZINC001588367978	983303000	/nfs/dbraw/zinc/30/30/00/983303000.db2.gz	FFAYDBZABDWJTL-VIFPVBQESA-N	-1	0	274.276	0.390	20	30		CCEDRM
C#C[C@H](C)N(C)S(=O)(=O)[C@@H]1CCCC[C@@H]1C(=O)[O-]	ZINC001588368495	983306484	/nfs/dbraw/zinc/30/64/84/983306484.db2.gz	OBOHORBZLYMPEK-GARJFASQSA-N	-1	0	273.354	0.913	20	30		CCEDRM
C#C[C@H](C)N(C)S(=O)(=O)c1cnc(C)c(C(=O)[O-])c1	ZINC001588368935	983308900	/nfs/dbraw/zinc/30/89/00/983308900.db2.gz	VZYODRNEGISZQU-QMMMGPOBSA-N	-1	0	282.321	0.730	20	30		CCEDRM
C#C[C@@H](NC(=O)N1C[C@H]2[C@H](C(=O)[O-])[C@H]2C1)C(C)C	ZINC001588372751	983333677	/nfs/dbraw/zinc/33/36/77/983333677.db2.gz	SAJRPTSEUXIEMH-YTWAJWBKSA-N	-1	0	250.298	0.616	20	30		CCEDRM
C#C[C@@H](NC(=O)NC[C@H]1C[C@H]1C(=O)[O-])C1CCOCC1	ZINC001588373956	983340460	/nfs/dbraw/zinc/34/04/60/983340460.db2.gz	MGXCLRLCJHZAND-IJLUTSLNSA-N	-1	0	280.324	0.435	20	30		CCEDRM
C#C[C@H](NCc1cc(C(=O)[O-])no1)[C@@H]1CCCO1	ZINC001588377083	983355083	/nfs/dbraw/zinc/35/50/83/983355083.db2.gz	IUYFXFXFUBSUDF-ONGXEEELSA-N	-1	0	250.254	0.643	20	30		CCEDRM
C#C[C@H](NS(=O)(=O)c1n[nH]c(C)c1C(=O)[O-])C(C)C	ZINC001588377718	983358724	/nfs/dbraw/zinc/35/87/24/983358724.db2.gz	QCAYHUSSSSYXSK-QMMMGPOBSA-N	-1	0	285.325	0.352	20	30		CCEDRM
C#CC1(O)CN(C(=O)Cc2cccc(C(=O)[O-])c2)C1	ZINC001588379711	983365382	/nfs/dbraw/zinc/36/53/82/983365382.db2.gz	PLKKFKNGWYHMLD-UHFFFAOYSA-N	-1	0	259.261	0.134	20	30		CCEDRM
C#C[C@H]1CCCCN1C(=O)C(=O)NCC(C)(C)CC(=O)[O-]	ZINC001588381889	983367771	/nfs/dbraw/zinc/36/77/71/983367771.db2.gz	CCICKRJJDRGRAG-NSHDSACASA-N	-1	0	294.351	0.618	20	30		CCEDRM
C#CC[C@H](COC)NC(=O)NCC1(C(=O)[O-])CCOCC1	ZINC001588395101	983404377	/nfs/dbraw/zinc/40/43/77/983404377.db2.gz	POAOPFJUYJHCBD-LLVKDONJSA-N	-1	0	298.339	0.205	20	30		CCEDRM
C#CC[C@@H](NC(=O)[C@H]1CC(=O)N(C(C)(C)C)C1)C(=O)[O-]	ZINC001588398072	983410445	/nfs/dbraw/zinc/41/04/45/983410445.db2.gz	CBWWWHDGRHIJLT-VHSXEESVSA-N	-1	0	280.324	0.226	20	30		CCEDRM
C#CC[C@@H](NC(=O)C12CCC(OC)(CC1)CC2=O)C(=O)[O-]	ZINC001588398122	983411114	/nfs/dbraw/zinc/41/11/14/983411114.db2.gz	DDLIXWMOMCOSHG-SFNBMPIDSA-N	-1	0	293.319	0.498	20	30		CCEDRM
C#CC[C@@H](NC(=O)CNC(=O)CC1CCCC1)C(=O)[O-]	ZINC001588404703	983418920	/nfs/dbraw/zinc/41/89/20/983418920.db2.gz	GVYNHIKMATXOSV-LLVKDONJSA-N	-1	0	280.324	0.276	20	30		CCEDRM
C#CC[C@H](NC(=O)CSc1cccc[n+]1[O-])C(=O)[O-]	ZINC001588405724	983422507	/nfs/dbraw/zinc/42/25/07/983422507.db2.gz	SLJSGAXCSQRLEA-VIFPVBQESA-N	-1	0	280.305	0.005	20	30		CCEDRM
C#CC[C@@H](NC(=O)/C=C/c1cncc(C)c1)C(=O)[O-]	ZINC001588405905	983423519	/nfs/dbraw/zinc/42/35/19/983423519.db2.gz	KHBTZBNEJVWWKW-BTDICHCPSA-N	-1	0	258.277	0.996	20	30		CCEDRM
C#CC[C@H](NC(=O)[C@@H]1CCC[C@H](OC)C1)C(=O)[O-]	ZINC001588406465	983425458	/nfs/dbraw/zinc/42/54/58/983425458.db2.gz	QRYMZUFTXSJXSM-VWYCJHECSA-N	-1	0	253.298	0.784	20	30		CCEDRM
C#CC[C@@H](NC(=O)c1c[nH]nc1-c1ccccn1)C(=O)[O-]	ZINC001588413560	983431002	/nfs/dbraw/zinc/43/10/02/983431002.db2.gz	BAXDZETTYBSBPX-LLVKDONJSA-N	-1	0	284.275	0.678	20	30		CCEDRM
C#CC[C@H](NC(=O)c1cc(C(=O)OC)ccn1)C(=O)[O-]	ZINC001588414382	983433782	/nfs/dbraw/zinc/43/37/82/983433782.db2.gz	SCXKXNHORFBDKA-VIFPVBQESA-N	-1	0	276.248	0.075	20	30		CCEDRM
C#CC[C@H](NC(=O)c1cn(-c2ccc(C)cc2)nn1)C(=O)[O-]	ZINC001588416232	983436360	/nfs/dbraw/zinc/43/63/60/983436360.db2.gz	LBLSRWDEBQZJBK-LBPRGKRZSA-N	-1	0	298.302	0.782	20	30		CCEDRM
C#CC[C@@H](NC(=O)c1cccc([S@](C)=O)c1)C(=O)[O-]	ZINC001588416851	983437478	/nfs/dbraw/zinc/43/74/78/983437478.db2.gz	RPWUJEKMPWDFCF-WYRIXSBYSA-N	-1	0	279.317	0.630	20	30		CCEDRM
C#CC[C@H](NC(=O)c1cnc(SC)[nH]c1=O)C(=O)[O-]	ZINC001588417037	983438261	/nfs/dbraw/zinc/43/82/61/983438261.db2.gz	VOEGUNBXYPJBPF-ZETCQYMHSA-N	-1	0	281.293	0.110	20	30		CCEDRM
C#CC[C@@H](NS(=O)(=O)CCOCC1CCC1)C(=O)[O-]	ZINC001588424045	983454602	/nfs/dbraw/zinc/45/46/02/983454602.db2.gz	RIWVYLCKRRAXQU-LLVKDONJSA-N	-1	0	289.353	0.199	20	30		CCEDRM
C#CCC1(C(=O)N2CC(O)(C(=O)[O-])C2)CCCCC1	ZINC001588428318	983461310	/nfs/dbraw/zinc/46/13/10/983461310.db2.gz	KAPLWPQGAAFIEQ-UHFFFAOYSA-N	-1	0	265.309	0.618	20	30		CCEDRM
C#CCC1(C(=O)NC[C@H](O)CC(=O)[O-])CCCCC1	ZINC001588428558	983462610	/nfs/dbraw/zinc/46/26/10/983462610.db2.gz	SMYBIGHHJICBHY-LLVKDONJSA-N	-1	0	267.325	0.912	20	30		CCEDRM
C#CC[C@@H]1CCCN(C(=O)C(=O)NCCCC(=O)[O-])C1	ZINC001588431807	983465778	/nfs/dbraw/zinc/46/57/78/983465778.db2.gz	NVROAEVJZUGJAC-LLVKDONJSA-N	-1	0	280.324	0.229	20	30		CCEDRM
C#CCN(C(=O)C(=O)N[C@H]1CC[C@@H](C(=O)[O-])C1)C(C)C	ZINC001588459053	983484023	/nfs/dbraw/zinc/48/40/23/983484023.db2.gz	XAFVRHUWIWLWDC-MNOVXSKESA-N	-1	0	280.324	0.226	20	30		CCEDRM
C#CCN(C)C(=O)N[C@H]1C[C@H]2C[C@@H](C(=O)[O-])C[C@H]21	ZINC001588461079	983488517	/nfs/dbraw/zinc/48/85/17/983488517.db2.gz	FJMSLGPVFIGRFS-DBIOUOCHSA-N	-1	0	250.298	0.760	20	30		CCEDRM
C#CCN(C)C(=O)C(=O)Nc1cc(C(=O)[O-])ccc1F	ZINC001588461477	983489965	/nfs/dbraw/zinc/48/99/65/983489965.db2.gz	QXPRVKTZNZURAC-UHFFFAOYSA-N	-1	0	278.239	0.554	20	30		CCEDRM
C#CCN(C)C(=O)C(=O)Nc1ccc(C(=O)[O-])c(F)c1	ZINC001588461723	983490936	/nfs/dbraw/zinc/49/09/36/983490936.db2.gz	ZBPSEXYJLHTGER-UHFFFAOYSA-N	-1	0	278.239	0.554	20	30		CCEDRM
C#CCNC(=O)C1CCN(Cc2cc(C(=O)[O-])no2)CC1	ZINC001588479453	983519563	/nfs/dbraw/zinc/51/95/63/983519563.db2.gz	ORTIELCJGQIDFZ-UHFFFAOYSA-N	-1	0	291.307	0.334	20	30		CCEDRM
C#CCNC(=O)CCn1nnc(-c2ccc(C(=O)[O-])cc2)n1	ZINC001588484285	983523642	/nfs/dbraw/zinc/52/36/42/983523642.db2.gz	ZDJNOVSBASLFAZ-UHFFFAOYSA-N	-1	0	299.290	0.178	20	30		CCEDRM
C#CCOCCC(=O)O[C@H]1C=CC[C@@H](C(=O)[O-])C1	ZINC001588489757	983529115	/nfs/dbraw/zinc/52/91/15/983529115.db2.gz	MBQQRKPNGOFIKZ-MNOVXSKESA-N	-1	0	252.266	0.989	20	30		CCEDRM
C#CCO[C@@H](C)C(=O)N1C[C@H](C)[C@@](C)(C(=O)[O-])C1	ZINC001588490550	983533079	/nfs/dbraw/zinc/53/30/79/983533079.db2.gz	PBRSNNFJWOEJGY-KWBADKCTSA-N	-1	0	253.298	0.594	20	30		CCEDRM
C#CCO[C@@H](C)C(=O)N[C@H]1CCCC[C@H]1C(=O)[O-]	ZINC001588490652	983533294	/nfs/dbraw/zinc/53/32/94/983533294.db2.gz	SYOHTIUKGDDYMC-AXFHLTTASA-N	-1	0	253.298	0.784	20	30		CCEDRM
C#CCO[C@@H](C)C(=O)Nc1cc(C(=O)[O-])n(C)c1	ZINC001588490664	983533327	/nfs/dbraw/zinc/53/33/27/983533327.db2.gz	ULPAWZDKHAQPLH-QMMMGPOBSA-N	-1	0	250.254	0.700	20	30		CCEDRM
C#CCSCC(=O)N1CCSC[C@H]1CC(=O)[O-]	ZINC001588504827	983548859	/nfs/dbraw/zinc/54/88/59/983548859.db2.gz	MZAIRJASAKUHCR-SECBINFHSA-N	-1	0	273.379	0.772	20	30		CCEDRM
C#Cc1ccc(C(=O)N[C@H](Cn2ccnc2)C(=O)[O-])cc1	ZINC001588510651	983556597	/nfs/dbraw/zinc/55/65/97/983556597.db2.gz	GVBMHYINRNZOPX-CYBMUJFWSA-N	-1	0	283.287	0.748	20	30		CCEDRM
C#Cc1ccc(C(=O)N2CC(F)(F)C[C@@H]2C(=O)[O-])cn1	ZINC001588511045	983558367	/nfs/dbraw/zinc/55/83/67/983558367.db2.gz	OSYUSJYHQYEHDN-SNVBAGLBSA-N	-1	0	280.230	0.997	20	30		CCEDRM
C#Cc1ccc(S(=O)(=O)NC(C)(C)C(=O)[O-])cc1	ZINC001588517554	983565362	/nfs/dbraw/zinc/56/53/62/983565362.db2.gz	CWYBTUBEEWOJJQ-UHFFFAOYSA-N	-1	0	267.306	0.809	20	30		CCEDRM
C#Cc1cncc(C(=O)N[C@H](CC2OCCO2)C(=O)[O-])c1	ZINC001588528708	983577790	/nfs/dbraw/zinc/57/77/90/983577790.db2.gz	DZVJRVSDKGTZBF-LLVKDONJSA-N	-1	0	290.275	0.009	20	30		CCEDRM
C#Cc1cncc(C(=O)N[C@@H](CC2OCCO2)C(=O)[O-])c1	ZINC001588528709	983577925	/nfs/dbraw/zinc/57/79/25/983577925.db2.gz	DZVJRVSDKGTZBF-NSHDSACASA-N	-1	0	290.275	0.009	20	30		CCEDRM
C#Cc1cncc(C(=O)Nc2nc(C(=O)[O-])ns2)c1	ZINC001588529342	983581086	/nfs/dbraw/zinc/58/10/86/983581086.db2.gz	VPUANFIVPUTTOV-UHFFFAOYSA-N	-1	0	274.261	0.865	20	30		CCEDRM
C=C(C)[C@@H](CC(=O)N1CC(O)(C(=O)[O-])C1)OCC	ZINC001588529877	983582759	/nfs/dbraw/zinc/58/27/59/983582759.db2.gz	KBWHVYSHDBIKJS-SECBINFHSA-N	-1	0	257.286	0.016	20	30		CCEDRM
C=C(C)C(C)(C)C(=O)N1C[C@H](C(=O)[O-])[C@@H](C(=O)OC)C1	ZINC001588530123	983583476	/nfs/dbraw/zinc/58/34/76/983583476.db2.gz	QYIOLROWNHLCFC-UWVGGRQHSA-N	-1	0	283.324	0.921	20	30		CCEDRM
C=C(C)[C@H](CO)n1cc(CCC(=O)CC(=O)[O-])nn1	ZINC001588536037	983592020	/nfs/dbraw/zinc/59/20/20/983592020.db2.gz	TVUXFGTWIZMWET-NSHDSACASA-N	-1	0	267.285	0.364	20	30		CCEDRM
C=C(C)C[C@@H](NC(=O)/C=C/c1ccc(C(N)=O)o1)C(=O)[O-]	ZINC001588541111	983606362	/nfs/dbraw/zinc/60/63/62/983606362.db2.gz	SIEORVPRIMYGIM-DFVUYQKZSA-N	-1	0	292.291	0.927	20	30		CCEDRM
C=C(C)C[C@H](NC(=O)[C@H]1CC[C@H]1C(=O)OC)C(=O)[O-]	ZINC001588544065	983613139	/nfs/dbraw/zinc/61/31/39/983613139.db2.gz	TVQYNZKXOBDEFO-AEJSXWLSSA-N	-1	0	269.297	0.721	20	30		CCEDRM
C=C(C)C[C@@H](NC(=O)c1cnc(N)c([N+](=O)[O-])c1)C(=O)[O-]	ZINC001588547343	983619522	/nfs/dbraw/zinc/61/95/22/983619522.db2.gz	AFVYJWNGYOQVKF-MRVPVSSYSA-N	-1	0	294.267	0.721	20	30		CCEDRM
C=C(C)C[C@H](NC(=O)c1cnn2c1NCCC2)C(=O)[O-]	ZINC001588548179	983623072	/nfs/dbraw/zinc/62/30/72/983623072.db2.gz	MOHKZSJYJDRWRS-JTQLQIEISA-N	-1	0	278.312	0.848	20	30		CCEDRM
C=C(C)C[C@H](NC(=O)c1cnn2ncccc12)C(=O)[O-]	ZINC001588548229	983623461	/nfs/dbraw/zinc/62/34/61/983623461.db2.gz	ONELZPCIDMTBJK-JTQLQIEISA-N	-1	0	274.280	0.879	20	30		CCEDRM
C=C(C)C[C@@H](NC(C)=O)C(=O)OCC(=O)C1(C(=O)[O-])CC1	ZINC001588548991	983626143	/nfs/dbraw/zinc/62/61/43/983626143.db2.gz	ZZLHDOBYGVFESG-SNVBAGLBSA-N	-1	0	297.307	0.434	20	30		CCEDRM
C=C(C)CCC(=O)NC[C@H](C)Nc1ccnc(C(=O)[O-])n1	ZINC001588554983	983632646	/nfs/dbraw/zinc/63/26/46/983632646.db2.gz	WKIPJSUXKGJHAB-JTQLQIEISA-N	-1	0	292.339	0.870	20	30		CCEDRM
C=C(C)C[C@H](NS(=O)(=O)c1ccc(N)cc1)C(=O)[O-]	ZINC001588555791	983637486	/nfs/dbraw/zinc/63/74/86/983637486.db2.gz	SAUCGPUJBUBSKT-NSHDSACASA-N	-1	0	284.337	0.967	20	30		CCEDRM
C=C(C)CN(CC)C(=O)CN1CCC[C@@H](O)[C@@H]1C(=O)[O-]	ZINC001588563360	983645103	/nfs/dbraw/zinc/64/51/03/983645103.db2.gz	RUYDCSKHDAAHDS-DGCLKSJQSA-N	-1	0	284.356	0.321	20	30		CCEDRM
C=C(C)COCCNC(=O)C(=O)N1CCC[C@H]1CC(=O)[O-]	ZINC001588569786	983649889	/nfs/dbraw/zinc/64/98/89/983649889.db2.gz	KNAPGVSHRXTXAN-NSHDSACASA-N	-1	0	298.339	0.161	20	30		CCEDRM
C=C(C)Cn1c([C@@H](C)CO)nnc1N1CC[C@@H](C(=O)[O-])C1	ZINC001588589600	983667725	/nfs/dbraw/zinc/66/77/25/983667725.db2.gz	QZEAJANGDORUIN-WDEREUQCSA-N	-1	0	294.355	0.861	20	30		CCEDRM
C=C(C)Cn1nnnc1N(C)[C@H]1C[C@@H](C(=O)[O-])C1	ZINC001588599217	983688695	/nfs/dbraw/zinc/68/86/95/983688695.db2.gz	IUAOVVOOENYMCP-DTORHVGOSA-N	-1	0	251.290	0.549	20	30		CCEDRM
C=C(CCC(=O)[O-])C(=O)N(C)[C@H](C)CN1CCOCC1	ZINC001588606608	983697778	/nfs/dbraw/zinc/69/77/78/983697778.db2.gz	AXHSACHZYUFMKY-GFCCVEGCSA-N	-1	0	284.356	0.587	20	30		CCEDRM
C=C(CCC(=O)[O-])C(=O)N(C)C(C)(C)CN1CCOCC1	ZINC001588607067	983699792	/nfs/dbraw/zinc/69/97/92/983699792.db2.gz	RGWSFTLHMAQHKR-UHFFFAOYSA-N	-1	0	298.383	0.977	20	30		CCEDRM
C=C(CCC(=O)[O-])C(=O)N1CCC(F)(F)[C@H](CO)C1	ZINC001588613687	983704879	/nfs/dbraw/zinc/70/48/79/983704879.db2.gz	BZQLTJFYWJPOPY-VIFPVBQESA-N	-1	0	277.267	0.884	20	30		CCEDRM
C=C(CCC(=O)[O-])C(=O)N1CC[C@@]2(CNC(=O)C2)C1	ZINC001588613889	983705532	/nfs/dbraw/zinc/70/55/32/983705532.db2.gz	GSAMAWOLKMFPFO-CYBMUJFWSA-N	-1	0	266.297	0.146	20	30		CCEDRM
C=C(CCC(=O)[O-])C(=O)N1CC[C@H](C)S(=O)(=O)CC1	ZINC001588613937	983705604	/nfs/dbraw/zinc/70/56/04/983705604.db2.gz	HNSDDBYDGFBMRN-JTQLQIEISA-N	-1	0	289.353	0.443	20	30		CCEDRM
C=C(CCC(=O)[O-])C(=O)N[C@](C)(C(=O)OC)C1CC1	ZINC001588618895	983713729	/nfs/dbraw/zinc/71/37/29/983713729.db2.gz	DQNGVGUZDBFCPT-ZDUSSCGKSA-N	-1	0	269.297	0.865	20	30		CCEDRM
C=C(CCC(=O)[O-])C(=O)N[C@@H]1C[C@@H](OCC)[C@@H]1OC	ZINC001588621825	983721084	/nfs/dbraw/zinc/72/10/84/983721084.db2.gz	KPMPGIZXHUHJOZ-CKYFFXLPSA-N	-1	0	271.313	0.716	20	30		CCEDRM
C=C(CCC(=O)[O-])C(=O)N[C@H](CO)C[C@H]1CCCO1	ZINC001588621909	983721316	/nfs/dbraw/zinc/72/13/16/983721316.db2.gz	MDSCERXXVNOOQI-WDEREUQCSA-N	-1	0	271.313	0.454	20	30		CCEDRM
C=C(CCC(=O)[O-])C(=O)N[C@H](CC(N)=O)C1CCOCC1	ZINC001588622234	983722574	/nfs/dbraw/zinc/72/25/74/983722574.db2.gz	SDVYNOQKUZRZSH-LLVKDONJSA-N	-1	0	298.339	0.194	20	30		CCEDRM
CCN(CCC#N)C(=O)C[N@@H+]1CCSC[C@H](C(=O)[O-])C1	ZINC001596299484	983724224	/nfs/dbraw/zinc/72/42/24/983724224.db2.gz	KDQYPFRCRYZROJ-LLVKDONJSA-N	-1	0	299.396	0.498	20	30		CCEDRM
C=C(CCC(=O)[O-])C(=O)N[C@H]1CCN(C(C)(C)C)C1=O	ZINC001588622946	983726104	/nfs/dbraw/zinc/72/61/04/983726104.db2.gz	HFLHXJNVNWPCMG-JTQLQIEISA-N	-1	0	282.340	0.923	20	30		CCEDRM
C=C(CCC(=O)[O-])C(=O)N[C@@H]1CCS(=O)(=O)[C@@H](C)C1	ZINC001588623172	983727131	/nfs/dbraw/zinc/72/71/31/983727131.db2.gz	KROUTDGDPGIQAW-VHSXEESVSA-N	-1	0	289.353	0.489	20	30		CCEDRM
C=C(CCC(=O)[O-])C(=O)N[C@@H](CCSC)C(N)=O	ZINC001588630394	983743367	/nfs/dbraw/zinc/74/33/67/983743367.db2.gz	KAEGBMMXRGJQFT-QMMMGPOBSA-N	-1	0	274.342	0.131	20	30		CCEDRM
C=C(CCC(=O)OC)C(=O)N[C@H]1C[C@@H](C(=O)[O-])[C@@H]2C[C@@H]21	ZINC001588633834	983751225	/nfs/dbraw/zinc/75/12/25/983751225.db2.gz	SCORBCAAMNRTKU-YTWAJWBKSA-N	-1	0	281.308	0.721	20	30		CCEDRM
C=C[C@@](C)(O)C(=O)N(C)Cc1ccc(C(=O)[O-])cn1	ZINC001588683129	983846382	/nfs/dbraw/zinc/84/63/82/983846382.db2.gz	VFKQVASMFQZRHB-CYBMUJFWSA-N	-1	0	264.281	0.675	20	30		CCEDRM
C=C[C@@](C)(O)c1cn(C[C@@H]2CC(C(=O)[O-])=C(C)O2)nn1	ZINC001588684251	983857014	/nfs/dbraw/zinc/85/70/14/983857014.db2.gz	NUVXMWNOIRDVDJ-TVQRCGJNSA-N	-1	0	279.296	0.819	20	30		CCEDRM
C=C[C@@](C)(O)CC(=O)N1C[C@H](C)O[C@H](C(=O)[O-])C1	ZINC001588684432	983859477	/nfs/dbraw/zinc/85/94/77/983859477.db2.gz	QRWDEAAMEUUDMW-HOTUBEGUSA-N	-1	0	257.286	0.014	20	30		CCEDRM
C=C[C@@H](COC)NC(=O)N(C)[C@H]1C[C@@H](C(=O)[O-])C1	ZINC001588693024	983889289	/nfs/dbraw/zinc/88/92/89/983889289.db2.gz	PFUFVAAKLJDLMA-LPEHRKFASA-N	-1	0	256.302	0.692	20	30		CCEDRM
C=C[C@H](COC)NS(=O)(=O)c1cncc(C(=O)[O-])c1	ZINC001588693339	983893255	/nfs/dbraw/zinc/89/32/55/983893255.db2.gz	WSBMNPOMOIBUJA-SECBINFHSA-N	-1	0	286.309	0.259	20	30		CCEDRM
C=C[C@@H](NCC(=O)NCCc1ccccc1)C(=O)[O-]	ZINC001588694305	983895973	/nfs/dbraw/zinc/89/59/73/983895973.db2.gz	AGYDYTSAHMNROJ-GFCCVEGCSA-N	-1	0	262.309	0.574	20	30		CCEDRM
C=C[C@@H](N[C@@H]1Cc2ccccc2N(C)C1=O)C(=O)[O-]	ZINC001588696406	983903042	/nfs/dbraw/zinc/90/30/42/983903042.db2.gz	NOYKNAGUOBGVIU-GHMZBOCLSA-N	-1	0	260.293	0.803	20	30		CCEDRM
C=C[C@H](OC(=O)[C@H](C(C)C)N1CCCC1=O)C(=O)[O-]	ZINC001588703915	983922652	/nfs/dbraw/zinc/92/26/52/983922652.db2.gz	AYIXEBLGKBYJOS-ONGXEEELSA-N	-1	0	269.297	0.816	20	30		CCEDRM
C=C[C@@H](O)C(=O)Nc1cc(C)c(C(=O)[O-])c(C)n1	ZINC001588705354	983927048	/nfs/dbraw/zinc/92/70/48/983927048.db2.gz	LYSDQTPUVUKTQA-MRVPVSSYSA-N	-1	0	250.254	0.882	20	30		CCEDRM
C=C[C@H](O)C(=O)Nc1cc(OC)c(OC)cc1C(=O)[O-]	ZINC001588705794	983927906	/nfs/dbraw/zinc/92/79/06/983927906.db2.gz	PEHJMRHYCOPSEE-VIFPVBQESA-N	-1	0	281.264	0.887	20	30		CCEDRM
C=C[C@H](OC(=O)CC[C@@H]1C[C@H](C(=O)OC)CO1)C(=O)[O-]	ZINC001588710706	983933839	/nfs/dbraw/zinc/93/38/39/983933839.db2.gz	HXLVXDAGEABRCF-AEJSXWLSSA-N	-1	0	286.280	0.527	20	30		CCEDRM
C=C[C@@H](OC(=O)c1cc(OC(F)F)n(C)n1)C(=O)[O-]	ZINC001588711496	983937946	/nfs/dbraw/zinc/93/79/46/983937946.db2.gz	AQCRXERUDHZTPU-ZCFIWIBFSA-N	-1	0	276.195	0.818	20	30		CCEDRM
C=C[C@@H](OC(=O)CN1CCN(C2CC2)C1=O)C(=O)[O-]	ZINC001588712401	983943667	/nfs/dbraw/zinc/94/36/67/983943667.db2.gz	VTCZDPQYQIJIEM-SECBINFHSA-N	-1	0	268.269	0.069	20	30		CCEDRM
CCN1C[C@H](CNc2ccc(C(=O)[O-])nc2C#N)CC1=O	ZINC001596397894	983949214	/nfs/dbraw/zinc/94/92/14/983949214.db2.gz	PCUYCKWRJCSRNZ-VIFPVBQESA-N	-1	0	288.307	0.932	20	30		CCEDRM
C=CC[C@H](C(=O)[O-])N1CCO[C@](C)(C(=O)OCC)C1	ZINC001588731059	984005043	/nfs/dbraw/zinc/00/50/43/984005043.db2.gz	CKAOGOUYRUOSID-MFKMUULPSA-N	-1	0	271.313	0.670	20	30		CCEDRM
C=CC[C@@H](C(=O)[O-])N1CCO[C@@H](Cn2ccnn2)C1	ZINC001588731600	984009041	/nfs/dbraw/zinc/00/90/41/984009041.db2.gz	LCTGOKASNLINNI-MNOVXSKESA-N	-1	0	266.301	0.008	20	30		CCEDRM
C=CC[C@@H](CO)CNC(=O)Cc1ccc(C(=O)[O-])nc1	ZINC001588737972	984031053	/nfs/dbraw/zinc/03/10/53/984031053.db2.gz	ZEKLDJAVJRHURT-LLVKDONJSA-N	-1	0	278.308	0.623	20	30		CCEDRM
C=CC[C@@H](CO)NC(=O)N[C@@H]1CC=C(C(=O)[O-])C1	ZINC001588743749	984039452	/nfs/dbraw/zinc/03/94/52/984039452.db2.gz	CKEIBSMSOIPPFE-ZJUUUORDSA-N	-1	0	254.286	0.396	20	30		CCEDRM
C=CC[C@@H](CO)NC(=O)Nc1nn(C)cc1C(=O)[O-]	ZINC001588745232	984050254	/nfs/dbraw/zinc/05/02/54/984050254.db2.gz	WETZBGBWFRWICT-ZETCQYMHSA-N	-1	0	268.273	0.177	20	30		CCEDRM
C=CC[C@@H](Nc1ccc(OCC(N)=O)cc1)C(=O)[O-]	ZINC001588750884	984074498	/nfs/dbraw/zinc/07/44/98/984074498.db2.gz	HKAUQLDCPVOVSN-LLVKDONJSA-N	-1	0	264.281	0.992	20	30		CCEDRM
C=CCCC(=O)N[C@H]1CCN(c2ccnc(C(=O)[O-])n2)C1	ZINC001588773586	984148285	/nfs/dbraw/zinc/14/82/85/984148285.db2.gz	AKHXDBNAQOBDHQ-JTQLQIEISA-N	-1	0	290.323	0.836	20	30		CCEDRM
C=CCC[C@@H](NCc1cn(CC(=O)[O-])nn1)C(=O)OCC	ZINC001588778632	984161793	/nfs/dbraw/zinc/16/17/93/984161793.db2.gz	HMUXWZCTFHHUCR-LLVKDONJSA-N	-1	0	296.327	0.350	20	30		CCEDRM
C=CCCC[C@@H](NC(=O)[C@H](C)n1cnc(C#N)n1)C(=O)[O-]	ZINC001588785381	984180088	/nfs/dbraw/zinc/18/00/88/984180088.db2.gz	GCTQXKVOMBHUJI-VHSXEESVSA-N	-1	0	291.311	0.636	20	30		CCEDRM
C=CCCC[C@@H](NC(=O)C[C@H](N)C(F)F)C(=O)[O-]	ZINC001588789637	984199779	/nfs/dbraw/zinc/19/97/79/984199779.db2.gz	GWVRRRCNFRGCIR-JGVFFNPUSA-N	-1	0	264.272	0.895	20	30		CCEDRM
C=CCCN(C)C(=O)C(=O)N[C@H]1CC=C(C(=O)[O-])C1	ZINC001588806016	984257259	/nfs/dbraw/zinc/25/72/59/984257259.db2.gz	YLPANSVAJAUICS-JTQLQIEISA-N	-1	0	266.297	0.311	20	30		CCEDRM
C=CCCn1cc(CNc2cc(C(=O)[O-])ncn2)nn1	ZINC001588819785	984279416	/nfs/dbraw/zinc/27/94/16/984279416.db2.gz	BVKRZLBTGXSCIT-UHFFFAOYSA-N	-1	0	274.284	0.955	20	30		CCEDRM
C=CCN(CCC#N)S(=O)(=O)c1cc(C(=O)[O-])cn1C	ZINC001588826423	984303625	/nfs/dbraw/zinc/30/36/25/984303625.db2.gz	DBQRMWWWGGXXLS-UHFFFAOYSA-N	-1	0	297.336	0.814	20	30		CCEDRM
C=CCN(CCOC)C(=O)C(=O)NC1CC(CC(=O)[O-])C1	ZINC001588828950	984310190	/nfs/dbraw/zinc/31/01/90/984310190.db2.gz	UZNWAJOBFXCCMT-UHFFFAOYSA-N	-1	0	298.339	0.017	20	30		CCEDRM
C=CCN1CC[C@H](N(C)Cc2cccc(C(=O)[O-])n2)C1=O	ZINC001588839435	984347278	/nfs/dbraw/zinc/34/72/78/984347278.db2.gz	RHUVPXHHLGWETD-ZDUSSCGKSA-N	-1	0	289.335	0.999	20	30		CCEDRM
C=CCNC(=O)CNC(=O)C12CCC(C(=O)[O-])(CC1)C2	ZINC001588844228	984356706	/nfs/dbraw/zinc/35/67/06/984356706.db2.gz	FUGHVQLYWBZBEK-UHFFFAOYSA-N	-1	0	280.324	0.440	20	30		CCEDRM
C=CCOC[C@@H](NC(=O)C[C@@H]1CCOC1)C(=O)[O-]	ZINC001588854127	984388857	/nfs/dbraw/zinc/38/88/57/984388857.db2.gz	PCDBVEZIUXYZJZ-VHSXEESVSA-N	-1	0	257.286	0.185	20	30		CCEDRM
C=CCOC[C@H](NC(=O)CCc1cncs1)C(=O)[O-]	ZINC001588854372	984390417	/nfs/dbraw/zinc/39/04/17/984390417.db2.gz	YFOHMOOHLQTPER-JTQLQIEISA-N	-1	0	284.337	0.848	20	30		CCEDRM
C=CCOC[C@H](NC(=O)[C@H](C)n1cccc1)C(=O)[O-]	ZINC001588855443	984392812	/nfs/dbraw/zinc/39/28/12/984392812.db2.gz	GWOMJBUZSLKYRF-QWRGUYRKSA-N	-1	0	266.297	0.821	20	30		CCEDRM
C=CCOC[C@H](NC(=O)C1(Br)CC1)C(=O)[O-]	ZINC001588855652	984394652	/nfs/dbraw/zinc/39/46/52/984394652.db2.gz	NJLFGXQLGPGFEL-ZETCQYMHSA-N	-1	0	292.129	0.686	20	30		CCEDRM
C=CCOC[C@@H](NC(=O)c1csc(=O)[nH]1)C(=O)[O-]	ZINC001588860046	984410054	/nfs/dbraw/zinc/41/00/54/984410054.db2.gz	HAXSFQJTGSXCOT-ZCFIWIBFSA-N	-1	0	272.282	0.234	20	30		CCEDRM
C=CCOC[C@H](NC(=O)c1cncc2[nH]cnc21)C(=O)[O-]	ZINC001588860057	984410125	/nfs/dbraw/zinc/41/01/25/984410125.db2.gz	HMYFUFICHKLIAM-JTQLQIEISA-N	-1	0	290.279	0.344	20	30		CCEDRM
C=CCOC[C@@H](NC(=O)c1cncc2[nH]cnc21)C(=O)[O-]	ZINC001588860058	984410176	/nfs/dbraw/zinc/41/01/76/984410176.db2.gz	HMYFUFICHKLIAM-SNVBAGLBSA-N	-1	0	290.279	0.344	20	30		CCEDRM
C=CCOC[C@H](NS(=O)(=O)CC1CC(C)C1)C(=O)[O-]	ZINC001588867015	984429403	/nfs/dbraw/zinc/42/94/03/984429403.db2.gz	TTZKTZRLFQNKQX-ILDUYXDCSA-N	-1	0	291.369	0.608	20	30		CCEDRM
C=CCOC[C@H](NCc1nccnc1OC)C(=O)[O-]	ZINC001588867018	984429533	/nfs/dbraw/zinc/42/95/33/984429533.db2.gz	TUGNLVLPGRGNLC-JTQLQIEISA-N	-1	0	267.285	0.231	20	30		CCEDRM
C=CCOc1ccc(CC(=O)N[C@H](C(=O)[O-])[C@@H](C)O)cc1	ZINC001588873783	984445840	/nfs/dbraw/zinc/44/58/40/984445840.db2.gz	LTEQCFYSYOUKHX-YGRLFVJLSA-N	-1	0	293.319	0.744	20	30		CCEDRM
C=CCS(=O)(=O)CCNC(=O)C(=C)CCC(=O)[O-]	ZINC001588879206	984457374	/nfs/dbraw/zinc/45/73/74/984457374.db2.gz	VTDSCOUWUZPSDI-UHFFFAOYSA-N	-1	0	275.326	0.124	20	30		CCEDRM
C=CCn1cc(CNC(=O)c2c[nH]c(C(=O)[O-])c2)nn1	ZINC001588908963	984541233	/nfs/dbraw/zinc/54/12/33/984541233.db2.gz	BZOXGQWTEHZERJ-UHFFFAOYSA-N	-1	0	275.268	0.420	20	30		CCEDRM
C=CCn1cc(CNC(=O)c2ccc(C(=O)[O-])nc2)nn1	ZINC001588909323	984543655	/nfs/dbraw/zinc/54/36/55/984543655.db2.gz	PFGINEZATGQUSK-UHFFFAOYSA-N	-1	0	287.279	0.487	20	30		CCEDRM
C=C[C@@H]1OCC[C@H]1C(=O)N1CCC[C@@H](O)[C@H]1C(=O)[O-]	ZINC001588917374	984566831	/nfs/dbraw/zinc/56/68/31/984566831.db2.gz	XWJSRGUYEYCRFK-ZNSHCXBVSA-N	-1	0	269.297	0.014	20	30		CCEDRM
C=C[C@@H]1OCC[C@H]1CNC(=O)N1C[C@@H](O)C[C@H](C(=O)[O-])C1	ZINC001588917809	984567588	/nfs/dbraw/zinc/56/75/88/984567588.db2.gz	ARUGEASTXJONFD-BJDJZHNGSA-N	-1	0	298.339	0.055	20	30		CCEDRM
C=C[C@H](CO)NS(=O)(=O)c1ccc(C)cc1C(=O)[O-]	ZINC001588919424	984572294	/nfs/dbraw/zinc/57/22/94/984572294.db2.gz	LHQNHVVNJOXMKC-SECBINFHSA-N	-1	0	285.321	0.518	20	30		CCEDRM
CC#CC[C@@H](CO)NC(=O)NC/C=C(\C)C(=O)[O-]	ZINC001588926467	984594421	/nfs/dbraw/zinc/59/44/21/984594421.db2.gz	YZNCFAVWQOKLGI-ZKXNXJMVSA-N	-1	0	254.286	0.091	20	30		CCEDRM
CC#CCCNC(=O)C(=O)NC[C@H](CC(=O)[O-])C1CC1	ZINC001588927376	984598656	/nfs/dbraw/zinc/59/86/56/984598656.db2.gz	UZNNHJVVKBTDDX-NSHDSACASA-N	-1	0	280.324	0.133	20	30		CCEDRM
CC#CCNC(=O)C(=O)Nc1cc(C(=O)[O-])ccc1C	ZINC001588931533	984603601	/nfs/dbraw/zinc/60/36/01/984603601.db2.gz	ZDZLFDYLFGCTHY-UHFFFAOYSA-N	-1	0	274.276	0.771	20	30		CCEDRM
CCO[C@H]1C[C@@](NCC(=O)NCCC#N)(C(=O)[O-])C1(C)C	ZINC001596833733	985471023	/nfs/dbraw/zinc/47/10/23/985471023.db2.gz	PXHBCGNEQOFEKZ-IINYFYTJSA-N	-1	0	297.355	0.264	20	30		CCEDRM
Cc1[nH]c(C(=O)n2ncc(C#N)c2N)c(C)c1C(=O)[O-]	ZINC001599959448	985754121	/nfs/dbraw/zinc/75/41/21/985754121.db2.gz	BSONTQCEBKQCAK-UHFFFAOYSA-N	-1	0	273.252	0.669	20	30		CCEDRM
C[C@@H](C#N)CN(C)C(=O)C(=O)Nc1ccccc1C(=O)[O-]	ZINC001589328679	986158812	/nfs/dbraw/zinc/15/88/12/986158812.db2.gz	GLTSIZFFLMWEEX-VIFPVBQESA-N	-1	0	289.291	0.941	20	30		CCEDRM
C[C@@H](C#N)C(=O)N[C@@H](Cc1ccccc1O)C(=O)[O-]	ZINC001589328960	986159767	/nfs/dbraw/zinc/15/97/67/986159767.db2.gz	HCXADXYHDMHFOV-WPRPVWTQSA-N	-1	0	262.265	0.664	20	30		CCEDRM
C[C@H](C#N)CNC(=O)C(=O)Nc1ccc(C(=O)[O-])c(F)c1	ZINC001589330361	986171366	/nfs/dbraw/zinc/17/13/66/986171366.db2.gz	BGNZRYJYVGMTON-SSDOTTSWSA-N	-1	0	293.254	0.738	20	30		CCEDRM
C[C@H](C#N)OCCn1cc(CC(C)(C)C(=O)[O-])nn1	ZINC001589331312	986184446	/nfs/dbraw/zinc/18/44/46/986184446.db2.gz	AOJDMWLWURGNTK-SECBINFHSA-N	-1	0	266.301	0.860	20	30		CCEDRM
C[C@H](C(=O)N1CCC(C(=O)[O-])CC1)N1CC[C@](C)(C#N)C1	ZINC001589349062	986298799	/nfs/dbraw/zinc/29/87/99/986298799.db2.gz	DRHADBUQYMUQKA-IAQYHMDHSA-N	-1	0	293.367	0.934	20	30		CCEDRM
C[C@@H]1CN(c2cnc(C(=O)[O-])cn2)C[C@@H](C)N1CC#N	ZINC001594583914	986452989	/nfs/dbraw/zinc/45/29/89/986452989.db2.gz	UOOYLVFNZBNQLP-NXEZZACHSA-N	-1	0	275.312	0.597	20	30		CCEDRM
CC[C@H](C#N)C(=O)N[C@@H](CCC1OCCO1)C(=O)[O-]	ZINC001594722960	987218348	/nfs/dbraw/zinc/21/83/48/987218348.db2.gz	YDMKPSSPPKFNFW-BDAKNGLRSA-N	-1	0	270.285	0.259	20	30		CCEDRM
CC[C@H](C#N)N(CC)C(=O)c1cc(C(=O)[O-])nn1C	ZINC001594725097	987226128	/nfs/dbraw/zinc/22/61/28/987226128.db2.gz	LCHCPYDHLRMVJR-MRVPVSSYSA-N	-1	0	264.285	0.883	20	30		CCEDRM
CC[S@@](=O)CC(=O)O[C@H](C(=O)[O-])c1cccc(C#N)c1	ZINC001597248788	987230040	/nfs/dbraw/zinc/23/00/40/987230040.db2.gz	CTYFOYLZWMFHJN-FKIZINRSSA-N	-1	0	295.316	0.996	20	30		CCEDRM
CC(C)(C#N)CC(=O)NC1(C(=O)[O-])CC(CO)C1	ZINC001589553577	987291470	/nfs/dbraw/zinc/29/14/70/987291470.db2.gz	DYIVVTGSXPLYDI-UHFFFAOYSA-N	-1	0	254.286	0.268	20	30		CCEDRM
CC(C)(C#N)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)[O-]	ZINC001589554228	987299652	/nfs/dbraw/zinc/29/96/52/987299652.db2.gz	YRVSLOQHPZAPQH-QMMMGPOBSA-N	-1	0	250.258	0.071	20	30		CCEDRM
CC(C)(C#N)CN1C(=O)[C@H]2CC[C@@H](C(=O)[O-])CN2C1=O	ZINC001589554619	987302139	/nfs/dbraw/zinc/30/21/39/987302139.db2.gz	GQNCELOMKOWRQL-RKDXNWHRSA-N	-1	0	279.296	0.664	20	30		CCEDRM
CC(C)(C#N)CCCOC(=O)Cn1cc(C(=O)[O-])nn1	ZINC001589554888	987304074	/nfs/dbraw/zinc/30/40/74/987304074.db2.gz	UAWVLZIHNMOYGF-UHFFFAOYSA-N	-1	0	280.284	0.849	20	30		CCEDRM
CC(C)(C)C#CC(=O)NC[C@H](C(=O)[O-])[C@@H]1CCOC1	ZINC001589684567	987722794	/nfs/dbraw/zinc/72/27/94/987722794.db2.gz	JRLLQBJYOOZRAW-MNOVXSKESA-N	-1	0	267.325	0.889	20	30		CCEDRM
CCc1ccc(C#CC(=O)N2CC[C@](O)(C(=O)[O-])C2)cc1	ZINC001597495099	988041746	/nfs/dbraw/zinc/04/17/46/988041746.db2.gz	QYRPEBNELRIVPV-MRXNPFEDSA-N	-1	0	287.315	0.649	20	30		CCEDRM
CCc1nc(C#N)cc(N2CCC(O)(C(=O)[O-])CC2)n1	ZINC001597644554	988652711	/nfs/dbraw/zinc/65/27/11/988652711.db2.gz	AGPYLXWCPOUJQG-UHFFFAOYSA-N	-1	0	276.296	0.327	20	30		CCEDRM
CN(C(=O)Cn1ccc(C(=O)[O-])n1)[C@@H]1CCC[C@H]1C#N	ZINC001598041326	990274943	/nfs/dbraw/zinc/27/49/43/990274943.db2.gz	NAOQLSKQXJTGET-GXSJLCMTSA-N	-1	0	276.296	0.732	20	30		CCEDRM
CN(C)C[C@](C)(C#N)NC(=O)/C=C\c1cc(C(=O)[O-])co1	ZINC001598199987	990810795	/nfs/dbraw/zinc/81/07/95/990810795.db2.gz	VPDUGBDFQVQBES-WSNITJDQSA-N	-1	0	291.307	0.951	20	30		CCEDRM
CN(C)C[C@@](C)(C#N)NC(=O)/C=C/c1ccc(C(=O)[O-])o1	ZINC001598200107	990811880	/nfs/dbraw/zinc/81/18/80/990811880.db2.gz	YYJYFMJKOBNNJK-HZRUHFOJSA-N	-1	0	291.307	0.951	20	30		CCEDRM
CN(C)c1ncc(CN2CCC(C#N)(C(=O)[O-])CC2)n1C	ZINC001598353947	991461794	/nfs/dbraw/zinc/46/17/94/991461794.db2.gz	OZYPEAZKGFHJRT-UHFFFAOYSA-N	-1	0	291.355	0.676	20	30		CCEDRM
CC(C)C1(C(=O)N(CC#N)CCC(=O)[O-])COC1	ZINC001591058617	991475352	/nfs/dbraw/zinc/47/53/52/991475352.db2.gz	RMIMAHLYUMTPLO-UHFFFAOYSA-N	-1	0	254.286	0.486	20	30		CCEDRM
COc1ccncc1Cn1cc(C(=O)[O-])cc(C#N)c1=O	ZINC001599722081	991556489	/nfs/dbraw/zinc/55/64/89/991556489.db2.gz	VKLADTWJMDAYAQ-UHFFFAOYSA-N	-1	0	285.259	0.870	20	30		CCEDRM
CN(CC(C)(C)C#N)S(=O)(=O)c1c[nH]c(C(=O)[O-])c1	ZINC001598419454	991752993	/nfs/dbraw/zinc/75/29/93/991752993.db2.gz	HPKUJLZSCFEKIB-UHFFFAOYSA-N	-1	0	285.325	0.883	20	30		CCEDRM
CC(C)C[C@H](C#N)NC(=O)Cn1cccc(C(=O)[O-])c1=O	ZINC001591117913	991778942	/nfs/dbraw/zinc/77/89/42/991778942.db2.gz	IIJPSKBMGNMFTF-SNVBAGLBSA-N	-1	0	291.307	0.601	20	30		CCEDRM
CS[C@H](C)C(=O)N1CCC(C#N)(C(=O)[O-])CC1	ZINC001599782007	992376330	/nfs/dbraw/zinc/37/63/30/992376330.db2.gz	DEWODXLMXMJRTQ-MRVPVSSYSA-N	-1	0	256.327	0.955	20	30		CCEDRM
CN1CN([C@@H](C(=O)[O-])c2cccc(C#N)c2)CC1=O	ZINC001598628080	994130542	/nfs/dbraw/zinc/13/05/42/994130542.db2.gz	KHLSROQFFCXESX-GFCCVEGCSA-N	-1	0	259.265	0.415	20	30		CCEDRM
COc1cccc([C@@H](C(=O)[O-])N(C)CC(=O)NCC#N)c1	ZINC001599648083	994454686	/nfs/dbraw/zinc/45/46/86/994454686.db2.gz	YTGJWSHWXHQGGF-ZDUSSCGKSA-N	-1	0	291.307	0.392	20	30		CCEDRM
COc1cccc(/C=N\CCOCC(=O)[O-])c1O	ZINC001599666499	994738042	/nfs/dbraw/zinc/73/80/42/994738042.db2.gz	XYVJCGDPVRFEOT-QPEQYQDCSA-N	-1	0	253.254	0.921	20	30		CCEDRM
C[C@H](OC(=O)C(C)(C)CC(=O)[O-])C(=O)NC1(C#N)CCC1	ZINC001593483468	995437391	/nfs/dbraw/zinc/43/73/91/995437391.db2.gz	ZZIBOUBJZRNXHI-VIFPVBQESA-N	-1	0	296.323	0.981	20	30		CCEDRM
COC(=O)[C@@H]1CC[C@H](C(=O)[O-])CN1Cc1ccc(C#N)o1	ZINC001598779073	995963602	/nfs/dbraw/zinc/96/36/02/995963602.db2.gz	QFNDSFLOKZGOCR-CABZTGNLSA-N	-1	0	292.291	0.989	20	30		CCEDRM
C[C@@H](Sc1ccccc1C(=O)N[C@@H](C#N)CO)C(=O)[O-]	ZINC001593668671	996065892	/nfs/dbraw/zinc/06/58/92/996065892.db2.gz	HJSWURRMEYYGGO-BDAKNGLRSA-N	-1	0	294.332	0.866	20	30		CCEDRM
C[C@@]1(C#N)CCN(C(=O)NC[C@H]2C[C@H]2C(=O)[O-])C1	ZINC001593742865	996363090	/nfs/dbraw/zinc/36/30/90/996363090.db2.gz	HJRSTVHAFRTXTA-LNLATYFQSA-N	-1	0	251.286	0.652	20	30		CCEDRM
COC(=O)[C@@H]1CN(c2cccnc2C#N)C[C@H]1C(=O)[O-]	ZINC001598826548	996389039	/nfs/dbraw/zinc/38/90/39/996389039.db2.gz	IZMNTEZEPQDJNR-RKDXNWHRSA-N	-1	0	275.264	0.263	20	30		CCEDRM
COC(=O)CCN(CC#N)[C@@H](C)c1nc(C(=O)[O-])co1	ZINC001598855513	996635267	/nfs/dbraw/zinc/63/52/67/996635267.db2.gz	UKGKFNYGKGWHRC-QMMMGPOBSA-N	-1	0	281.268	0.822	20	30		CCEDRM
CC1(C)C[C@]1(C#N)NC(=O)CN1CCC[C@@H](C(=O)[O-])C1=O	ZINC001593864101	996665435	/nfs/dbraw/zinc/66/54/35/996665435.db2.gz	QTEDPJVICGUUEX-YMTOWFKASA-N	-1	0	293.323	0.118	20	30		CCEDRM
CC1(C)C[C@@]1(C#N)NC(=O)Cn1cccc(C(=O)[O-])c1=O	ZINC001593864292	996665680	/nfs/dbraw/zinc/66/56/80/996665680.db2.gz	RDGZSWPCVIJVJD-AWEZNQCLSA-N	-1	0	289.291	0.355	20	30		CCEDRM
COC(=O)CN(CC#N)C(=O)/C=C\c1ccc(C(=O)[O-])o1	ZINC001598861346	996677385	/nfs/dbraw/zinc/67/73/85/996677385.db2.gz	VPCCSNMITYCGGU-HYXAFXHYSA-N	-1	0	292.247	0.516	20	30		CCEDRM
COC[C@H](NC(=O)c1ccccc1CC#N)C(=O)[O-]	ZINC001599174006	996806590	/nfs/dbraw/zinc/80/65/90/996806590.db2.gz	HMBIGQDBFHFQDF-NSHDSACASA-N	-1	0	262.265	0.582	20	30		CCEDRM
CO[C@]1(C(=O)[O-])CCN(C(=O)NCC(C)(C)C#N)C1	ZINC001599073946	996825244	/nfs/dbraw/zinc/82/52/44/996825244.db2.gz	ZWLKCCHJSFSNMT-GFCCVEGCSA-N	-1	0	269.301	0.421	20	30		CCEDRM
COC(=O)[C@@H](F)CNc1ccc(C(=O)[O-])nc1C#N	ZINC001598893878	997042454	/nfs/dbraw/zinc/04/24/54/997042454.db2.gz	BRIGRJLHTJTRPG-LURJTMIESA-N	-1	0	267.216	0.574	20	30		CCEDRM
CON=CC(=O)N[C@@H](CC(=O)[O-])c1ccncc1	ZINC001599319797	997561068	/nfs/dbraw/zinc/56/10/68/997561068.db2.gz	HCPNCFLEYXLKKW-VIFPVBQESA-N	-1	0	251.242	0.346	20	30		CCEDRM
CO[C@H]1CCN(C(=O)c2ccc(C#N)[nH]2)[C@H](C(=O)[O-])C1	ZINC001599119245	997708846	/nfs/dbraw/zinc/70/88/46/997708846.db2.gz	BEVYZQLTSLWLHW-ONGXEEELSA-N	-1	0	277.280	0.591	20	30		CCEDRM
COc1c(NC2CCN(CC#N)CC2)ncnc1C(=O)[O-]	ZINC001599343162	997955787	/nfs/dbraw/zinc/95/57/87/997955787.db2.gz	LCWLDABYOZDPLK-UHFFFAOYSA-N	-1	0	291.311	0.583	20	30		CCEDRM
COc1cc(C#N)ccc1C(=O)N1CCO[C@H](C(=O)[O-])C1	ZINC001599349614	998070757	/nfs/dbraw/zinc/07/07/57/998070757.db2.gz	XYTRAVDTUSTFCP-LBPRGKRZSA-N	-1	0	290.275	0.492	20	30		CCEDRM
COCC#CC(=O)NCc1ccc(C(=O)[O-])cc1F	ZINC001599138766	998090153	/nfs/dbraw/zinc/09/01/53/998090153.db2.gz	OZMICVDLWLUTBO-UHFFFAOYSA-N	-1	0	265.240	0.790	20	30		CCEDRM
COCC#CC(=O)N[C@H]1C[C@H]2C[C@@H](C(=O)[O-])C[C@H]21	ZINC001599139059	998095848	/nfs/dbraw/zinc/09/58/48/998095848.db2.gz	RQNXQMWRXXWUQI-DBIOUOCHSA-N	-1	0	251.282	0.252	20	30		CCEDRM
COC[C@@](C)(C#N)NC(=O)c1csc(C(=O)[O-])n1	ZINC001599143971	998180538	/nfs/dbraw/zinc/18/05/38/998180538.db2.gz	OCWJTHFSOFSTLZ-SNVBAGLBSA-N	-1	0	269.282	0.500	20	30		CCEDRM
CC1=NO[C@@H](C(=O)N2CCC(C#N)(C(=O)[O-])CC2)C1	ZINC001594113217	998222144	/nfs/dbraw/zinc/22/21/44/998222144.db2.gz	DWXRVMWBZTVRDM-SECBINFHSA-N	-1	0	265.269	0.368	20	30		CCEDRM
COC[C@@H](NC(=O)C#Cc1cccs1)C(=O)[O-]	ZINC001599168557	998578020	/nfs/dbraw/zinc/57/80/20/998578020.db2.gz	BDBRVHDNVWTGBE-SECBINFHSA-N	-1	0	253.279	0.315	20	30		CCEDRM
COC[C@H](NC(=O)C(=O)/C=C\c1ccc(F)cc1)C(=O)[O-]	ZINC001599169710	998594104	/nfs/dbraw/zinc/59/41/04/998594104.db2.gz	NHZZHTDNIUIXJF-IBHLPDHGSA-N	-1	0	295.266	0.624	20	30		CCEDRM
COC[C@@H](NC(=O)C(=O)/C=C\c1ccc(F)cc1)C(=O)[O-]	ZINC001599169711	998594388	/nfs/dbraw/zinc/59/43/88/998594388.db2.gz	NHZZHTDNIUIXJF-MEQVVJDKSA-N	-1	0	295.266	0.624	20	30		CCEDRM
COC(CN(CCC(=O)[O-])C(=O)CCCC#N)OC	ZINC001599046929	999157156	/nfs/dbraw/zinc/15/71/56/999157156.db2.gz	OYIFFHZFGPSUKP-UHFFFAOYSA-N	-1	0	272.301	0.602	20	30		CCEDRM
CC(C)Cc1cc(=NC(=O)N=c2[n-]n(C)cc2C#N)[nH][nH]1	ZINC000617277125	365588525	/nfs/dbraw/zinc/58/85/25/365588525.db2.gz	OOVCMQMGMLBQHY-UHFFFAOYSA-N	-1	0	287.327	0.701	20	30		CCEDRM
CSc1[n-]c(=O)c(C(=O)N[C@H]2CCOC2)cc1C#N	ZINC000337619020	214183452	/nfs/dbraw/zinc/18/34/52/214183452.db2.gz	PRBBKQLDKITXIG-QMMMGPOBSA-N	-1	0	279.321	0.899	20	30		CCEDRM
C[C@@H](C(=O)[O-])N(C)S(=O)(=O)c1ccccc1CC#N	ZINC000600941021	362095388	/nfs/dbraw/zinc/09/53/88/362095388.db2.gz	UJLIAUHNMAGTRO-VIFPVBQESA-N	-1	0	282.321	0.846	20	30		CCEDRM
CN(CCC(=O)[O-])S(=O)(=O)c1ccccc1CC#N	ZINC000600940977	362095634	/nfs/dbraw/zinc/09/56/34/362095634.db2.gz	SNFFOZSXIQZWGG-UHFFFAOYSA-N	-1	0	282.321	0.848	20	30		CCEDRM
C#CCCNC(=O)CN(C[C@@H]1CCCO1)C(=O)[O-]	ZINC000738456878	581331113	/nfs/dbraw/zinc/33/11/13/581331113.db2.gz	DEQPFRPABVZXGF-JTQLQIEISA-N	-1	0	254.286	0.285	20	30		CCEDRM
CN=c1[n-]nc(CC(=O)NCC#Cc2ccccc2)s1	ZINC000352846969	529834566	/nfs/dbraw/zinc/83/45/66/529834566.db2.gz	UJNWVXRLJQPCPJ-UHFFFAOYSA-N	-1	0	286.360	0.712	20	30		CCEDRM
N#Cc1cccc2c1CCN2C(=O)CCc1nnn[n-]1	ZINC000601640032	362335679	/nfs/dbraw/zinc/33/56/79/362335679.db2.gz	LQCWIZGCHKDEHH-UHFFFAOYSA-N	-1	0	268.280	0.593	20	30		CCEDRM
Cc1ncc2n1C[C@H](C(=O)N=c1[nH][n-]cc1C#N)CC2	ZINC000601638327	362336038	/nfs/dbraw/zinc/33/60/38/362336038.db2.gz	HAJAPWBWAKZPJL-SECBINFHSA-N	-1	0	270.296	0.409	20	30		CCEDRM
CN(C(=O)c1cnc([O-])n(C)c1=O)[C@H]1CCC[C@H]1C#N	ZINC000601817719	362400203	/nfs/dbraw/zinc/40/02/03/362400203.db2.gz	VTLBVRRCVOKMNV-WPRPVWTQSA-N	-1	0	276.296	0.250	20	30		CCEDRM
COCC(COC)n1[n-]c(C)c(CCC#N)c1=O	ZINC000601956078	362437964	/nfs/dbraw/zinc/43/79/64/362437964.db2.gz	XRIZCXFSRIYVFE-LLVKDONJSA-N	-1	0	253.302	0.786	20	30		CCEDRM
Cn1cc(C#N)c([N-]S(=O)(=O)CCOCC2CCC2)n1	ZINC000601977068	362447754	/nfs/dbraw/zinc/44/77/54/362447754.db2.gz	KJIBQUBWERIBOI-UHFFFAOYSA-N	-1	0	298.368	0.850	20	30		CCEDRM
CCCCN(C)C(=O)CCn1cc(C#N)c(=O)[n-]c1=O	ZINC000602046420	362466524	/nfs/dbraw/zinc/46/65/24/362466524.db2.gz	MDIBNCQYTWHTFL-UHFFFAOYSA-N	-1	0	278.312	0.469	20	30		CCEDRM
CC(C)[C@H](C)N(C)C(=O)Cn1cc(C#N)c(=O)[n-]c1=O	ZINC000602053960	362469088	/nfs/dbraw/zinc/46/90/88/362469088.db2.gz	ZAAWGSOLJRVKGZ-VIFPVBQESA-N	-1	0	278.312	0.323	20	30		CCEDRM
C[C@H]1C[C@H](C)N(C(=O)CCn2cc(C#N)c(=O)[n-]c2=O)C1	ZINC000602113082	362496195	/nfs/dbraw/zinc/49/61/95/362496195.db2.gz	UCDHDHYUPDYXQJ-UWVGGRQHSA-N	-1	0	290.323	0.468	20	30		CCEDRM
CC[C@@H]1[C@@H](C)CCN1C(=O)Cn1cc(C#N)c(=O)[n-]c1=O	ZINC000602136695	362515979	/nfs/dbraw/zinc/51/59/79/362515979.db2.gz	BBSSWSXUIZKTGL-GXSJLCMTSA-N	-1	0	290.323	0.468	20	30		CCEDRM
C[C@@H]1C[C@H](C)N1C(=O)CCn1cc(C#N)c(=O)[n-]c1=O	ZINC000602143148	362521858	/nfs/dbraw/zinc/52/18/58/362521858.db2.gz	IZLWSMDCQDYSCT-DTORHVGOSA-N	-1	0	276.296	0.220	20	30		CCEDRM
Cc1[n-][nH]c(=NC(=O)[C@@H]2CCN2C2CCCC2)c1C#N	ZINC000602189218	362548887	/nfs/dbraw/zinc/54/88/87/362548887.db2.gz	NCDMJCFXPDDCCE-LBPRGKRZSA-N	-1	0	273.340	0.967	20	30		CCEDRM
C[C@@H]1[C@H](C)CN(C(=O)Cn2cc(C#N)c(=O)[n-]c2=O)[C@H]1C	ZINC000602165282	362537316	/nfs/dbraw/zinc/53/73/16/362537316.db2.gz	QZBREWZMWCZTNI-BBBLOLIVSA-N	-1	0	290.323	0.323	20	30		CCEDRM
Cc1c(C#N)c(=NC(=O)[C@@H]2C[C@H](C)O[C@H]2C)[n-]n1C	ZINC000602347560	362593697	/nfs/dbraw/zinc/59/36/97/362593697.db2.gz	HZGIDGCMVGCDFI-UJNFCWOMSA-N	-1	0	262.313	0.774	20	30		CCEDRM
C[C@@H](OC[C@H]1CCCO1)C(=O)Nc1nc(C#N)c(C#N)[n-]1	ZINC000069127828	136775356	/nfs/dbraw/zinc/77/53/56/136775356.db2.gz	WHPFLQIFPGQNBP-RKDXNWHRSA-N	-1	0	289.295	0.676	20	30		CCEDRM
Cc1ncc(S(=O)(=O)N2CCC[C@H]2C(=O)[O-])cc1C#N	ZINC000261869050	137023510	/nfs/dbraw/zinc/02/35/10/137023510.db2.gz	YVHVCROEQPADIG-NSHDSACASA-N	-1	0	295.320	0.499	20	30		CCEDRM
N#Cc1cccc(CCNC(=O)NCCC(=O)[O-])c1	ZINC000263390972	137065054	/nfs/dbraw/zinc/06/50/54/137065054.db2.gz	QMNCAXGKQIDYDJ-UHFFFAOYSA-N	-1	0	261.281	0.875	20	30		CCEDRM
COc1cc([N-]S(=O)(=O)c2ccc(C#N)o2)ncn1	ZINC000342466567	137095591	/nfs/dbraw/zinc/09/55/91/137095591.db2.gz	SAIJSFOBZAJODO-UHFFFAOYSA-N	-1	0	280.265	0.751	20	30		CCEDRM
CSc1n[nH]c([N-]S(=O)(=O)c2ccc(C#N)o2)n1	ZINC000342466961	137096025	/nfs/dbraw/zinc/09/60/25/137096025.db2.gz	UJWOTMVCSKNICC-UHFFFAOYSA-N	-1	0	285.310	0.792	20	30		CCEDRM
CCc1cc(C(=O)Nc2nc(C#N)c(C#N)[n-]2)n[nH]1	ZINC000029667201	348113980	/nfs/dbraw/zinc/11/39/80/348113980.db2.gz	YJUCZFSJJWSJDQ-UHFFFAOYSA-N	-1	0	255.241	0.691	20	30		CCEDRM
C[C@H](O)[C@H](NC(=O)Nc1cccc(C#N)c1)C(=O)[O-]	ZINC000037010005	348178737	/nfs/dbraw/zinc/17/87/37/348178737.db2.gz	GMYNTJBPYUKBKI-XVKPBYJWSA-N	-1	0	263.253	0.514	20	30		CCEDRM
C[C@@H]1CN(C(=O)N=c2[n-]n(C)cc2C#N)C[C@@H](C)C1O	ZINC000602884538	362862541	/nfs/dbraw/zinc/86/25/41/362862541.db2.gz	BWOFLECMCLMBKD-RKDXNWHRSA-N	-1	0	277.328	0.194	20	30		CCEDRM
Cn1cc(C#N)c(=NC(=O)N[C@]23C[C@H]2COC3(C)C)[n-]1	ZINC000602885710	362863915	/nfs/dbraw/zinc/86/39/15/362863915.db2.gz	ZDSVISRCKAJMKP-TVQRCGJNSA-N	-1	0	275.312	0.403	20	30		CCEDRM
Cn1cc(C#N)c(=NC(=O)N2CCO[C@@](C)(C(F)F)C2)[n-]1	ZINC000602887776	362867111	/nfs/dbraw/zinc/86/71/11/362867111.db2.gz	SJMNRCQTFUKJGD-GFCCVEGCSA-N	-1	0	299.281	0.602	20	30		CCEDRM
N#Cc1nc(NC(=O)C[C@@H]2CCCC(=O)N2)[n-]c1C#N	ZINC000347915034	137363920	/nfs/dbraw/zinc/36/39/20/137363920.db2.gz	SIJPICUZTRKIMA-ZETCQYMHSA-N	-1	0	272.268	0.150	20	30		CCEDRM
C[C@H](CNS(=O)(=O)c1ccc(C#N)cc1)C(=O)[O-]	ZINC000054333732	348551011	/nfs/dbraw/zinc/55/10/11/348551011.db2.gz	UZHNDMODNZMYQD-MRVPVSSYSA-N	-1	0	268.294	0.557	20	30		CCEDRM
O=C(Nc1nc(O)c[nH]1)c1c([O-])cc(F)cc1F	ZINC000057326777	348606996	/nfs/dbraw/zinc/60/69/96/348606996.db2.gz	LSYLLLIUFZIIEH-UHFFFAOYSA-N	-1	0	255.180	0.461	20	30		CCEDRM
N#Cc1ccc(NC(=O)N2CCOC[C@H]2C(=O)[O-])cc1	ZINC000088376440	349365616	/nfs/dbraw/zinc/36/56/16/349365616.db2.gz	YQOGZMYOSUPYKG-NSHDSACASA-N	-1	0	275.264	0.876	20	30		CCEDRM
CSc1[n-]c(=O)c(C(=O)N[C@@]2(C)CCOC2)cc1C#N	ZINC000127824526	350178720	/nfs/dbraw/zinc/17/87/20/350178720.db2.gz	PRRBQNNNKCAZPQ-ZDUSSCGKSA-N	-1	0	293.348	0.877	20	30		CCEDRM
C=CC[C@@H](C)NS(=O)(=O)N1CCC(C(=O)[O-])CC1	ZINC000133607569	350339840	/nfs/dbraw/zinc/33/98/40/350339840.db2.gz	GDOBXRQZRQRFAI-SECBINFHSA-N	-1	0	276.358	0.582	20	30		CCEDRM
CC#CCN1[N-]S(=O)(=O)c2ccccc2C1=O	ZINC000172908950	351017437	/nfs/dbraw/zinc/01/74/37/351017437.db2.gz	XCWGXKDTIZNJQD-UHFFFAOYSA-N	-1	0	250.279	0.359	20	30		CCEDRM
C=CC[C@H](CO)NC(=O)c1ccccc1[N-]S(C)(=O)=O	ZINC000185865706	351462837	/nfs/dbraw/zinc/46/28/37/351462837.db2.gz	IGYYFMYGPRVORT-SNVBAGLBSA-N	-1	0	298.364	0.725	20	30		CCEDRM
N#Cc1ccc(OCCNC(=O)NCCC(=O)[O-])cc1	ZINC000414620904	233664783	/nfs/dbraw/zinc/66/47/83/233664783.db2.gz	FOZKUJRYCRHCIA-UHFFFAOYSA-N	-1	0	277.280	0.711	20	30		CCEDRM
C=CCCOCCNC(=O)[C@H]1CC[C@H](C(=O)[O-])O1	ZINC000226257487	352021526	/nfs/dbraw/zinc/02/15/26/352021526.db2.gz	WZRPEQNBLCNBMU-NXEZZACHSA-N	-1	0	257.286	0.328	20	30		CCEDRM
CN(Cc1ccccc1)C(=O)Cn1cc(C#N)c(=O)[n-]c1=O	ZINC000603919116	363172446	/nfs/dbraw/zinc/17/24/46/363172446.db2.gz	SDZCZETYSRQDMK-UHFFFAOYSA-N	-1	0	298.302	0.479	20	30		CCEDRM
C=CCNC(=O)c1ccc(N(C)[C@@H](C)C(=O)[O-])nc1	ZINC000262068733	352575631	/nfs/dbraw/zinc/57/56/31/352575631.db2.gz	BTSKIGXJOKHSSV-VIFPVBQESA-N	-1	0	263.297	0.907	20	30		CCEDRM
N#Cc1cccc(S(=O)(=O)NCC2(C(=O)[O-])CC2)c1	ZINC000138946095	187905010	/nfs/dbraw/zinc/90/50/10/187905010.db2.gz	UBHIPCWGULCUTR-UHFFFAOYSA-N	-1	0	280.305	0.701	20	30		CCEDRM
C=CCN(CC(=O)[O-])S(=O)(=O)c1ccnn1CC	ZINC000275261033	353200258	/nfs/dbraw/zinc/20/02/58/353200258.db2.gz	IUUBFEZHJMRCGW-UHFFFAOYSA-N	-1	0	273.314	0.164	20	30		CCEDRM
C[C@H](CCCCO)NS(=O)(=O)c1ccc(C#N)o1	ZINC000295179525	199390769	/nfs/dbraw/zinc/39/07/69/199390769.db2.gz	AGARUJZGPMWXDK-SECBINFHSA-N	-1	0	272.326	0.981	20	30		CCEDRM
CN(CCCC(=O)[O-])S(=O)(=O)c1cncc(C#N)c1	ZINC000290621588	353738573	/nfs/dbraw/zinc/73/85/73/353738573.db2.gz	KLAQXYXEGOYNLY-UHFFFAOYSA-N	-1	0	283.309	0.439	20	30		CCEDRM
C=CCOCCNC(=O)N1CCC[C@H](C(=O)[O-])C1	ZINC000306054190	354170939	/nfs/dbraw/zinc/17/09/39/354170939.db2.gz	UFUAHWQNQIXJCG-JTQLQIEISA-N	-1	0	256.302	0.695	20	30		CCEDRM
CCOC(=O)[C@@H](C)[C@@H](C)NC(=O)N=c1[n-]n(C)cc1C#N	ZINC000619203981	366216369	/nfs/dbraw/zinc/21/63/69/366216369.db2.gz	MSEUQIGLPUXKSG-DTWKUNHWSA-N	-1	0	293.327	0.423	20	30		CCEDRM
CC(C)(CCNS(=O)(=O)c1ccc(C#N)nc1)C(=O)[O-]	ZINC000336833226	355207157	/nfs/dbraw/zinc/20/71/57/355207157.db2.gz	GJMVRNZIEQDEMX-UHFFFAOYSA-N	-1	0	297.336	0.732	20	30		CCEDRM
CC(C)(CCNS(=O)(=O)c1cncc(C#N)c1)C(=O)[O-]	ZINC000336844358	355214244	/nfs/dbraw/zinc/21/42/44/355214244.db2.gz	ZFWMXLMMLDVKSS-UHFFFAOYSA-N	-1	0	297.336	0.732	20	30		CCEDRM
Cc1cc(C(=O)N(CC#N)C2CC2)[nH]c2nc(=O)[n-]c(=O)c1-2	ZINC000344123169	355785174	/nfs/dbraw/zinc/78/51/74/355785174.db2.gz	JIHLWNJGIJEBNM-UHFFFAOYSA-N	-1	0	299.290	0.873	20	30		CCEDRM
N#Cc1ccc(Cl)c(C(=O)NCc2n[nH]c(=O)[n-]2)c1	ZINC000353657981	356266834	/nfs/dbraw/zinc/26/68/34/356266834.db2.gz	VOEYYHQSUYNYRI-UHFFFAOYSA-N	-1	0	277.671	0.965	20	30		CCEDRM
Cn1cc([N-]S(=O)(=O)c2ccc(C#N)o2)cn1	ZINC000361129918	138022970	/nfs/dbraw/zinc/02/29/70/138022970.db2.gz	FPGFNIRKTXVXNC-UHFFFAOYSA-N	-1	0	252.255	0.686	20	30		CCEDRM
COc1ccc(C(=O)N=c2[n-]n(C)cc2C#N)nc1	ZINC000361920406	138038499	/nfs/dbraw/zinc/03/84/99/138038499.db2.gz	XNTDUCHJPXPWAA-UHFFFAOYSA-N	-1	0	257.253	0.370	20	30		CCEDRM
C[C@@H](CC(=O)[O-])NS(=O)(=O)c1cccc(CC#N)c1	ZINC000619470136	366264987	/nfs/dbraw/zinc/26/49/87/366264987.db2.gz	NELMCUWPTPKZRO-VIFPVBQESA-N	-1	0	282.321	0.894	20	30		CCEDRM
CC(C)n1ccc(=NC(=O)N=c2[n-]n(C)cc2C#N)[nH]1	ZINC000619536898	366277621	/nfs/dbraw/zinc/27/76/21/366277621.db2.gz	BNGHHFZEPGBFFB-UHFFFAOYSA-N	-1	0	273.300	0.557	20	30		CCEDRM
COC(=O)c1ccc(=NC(=O)Cc2ccc(C#N)cc2)[n-]n1	ZINC000619603410	366295423	/nfs/dbraw/zinc/29/54/23/366295423.db2.gz	YIDLPVITMJFDNP-UHFFFAOYSA-N	-1	0	296.286	0.738	20	30		CCEDRM
CC[C@@H]1CN(C(=O)N=c2[n-]n(C)cc2C#N)C[C@H](C)O1	ZINC000610562702	363577803	/nfs/dbraw/zinc/57/78/03/363577803.db2.gz	CPEGYVTZLNBKDQ-GXSJLCMTSA-N	-1	0	277.328	0.745	20	30		CCEDRM
Cn1cc(C#N)c(=NC(=O)NC[C@H](O)C2CCCCC2)[n-]1	ZINC000610562349	363576488	/nfs/dbraw/zinc/57/64/88/363576488.db2.gz	PIRQXXUHJSLTLQ-LBPRGKRZSA-N	-1	0	291.355	0.776	20	30		CCEDRM
C[C@@H]1CN(C(=O)N=c2[n-]n(C)cc2C#N)CC(C)(C)O1	ZINC000610564203	363579331	/nfs/dbraw/zinc/57/93/31/363579331.db2.gz	GCRUCSQTTLTXQO-SECBINFHSA-N	-1	0	277.328	0.745	20	30		CCEDRM
Cn1cc(C#N)c(=NC(=O)NCC(=O)Nc2ccccc2)[n-]1	ZINC000610562755	363578264	/nfs/dbraw/zinc/57/82/64/363578264.db2.gz	FLVRTCNSXNNROY-UHFFFAOYSA-N	-1	0	298.306	0.474	20	30		CCEDRM
CN(Cc1nccs1)C(=O)N=c1[n-]n(C)cc1C#N	ZINC000610563892	363578317	/nfs/dbraw/zinc/57/83/17/363578317.db2.gz	BHQWCPZSCMSDJJ-UHFFFAOYSA-N	-1	0	276.325	0.834	20	30		CCEDRM
Cn1cc(C#N)c(=NC(=O)NCCCCn2ccnc2)[n-]1	ZINC000610564147	363578952	/nfs/dbraw/zinc/57/89/52/363578952.db2.gz	DWRNOUICZOCAAY-UHFFFAOYSA-N	-1	0	287.327	0.512	20	30		CCEDRM
Cn1cc(C#N)c(=NC(=O)NC[C@@H]2CCC[C@H](O)C2)[n-]1	ZINC000610564303	363579789	/nfs/dbraw/zinc/57/97/89/363579789.db2.gz	HEGWPQDNLSPYHJ-KOLCDFICSA-N	-1	0	277.328	0.386	20	30		CCEDRM
C[C@@]12CCC(=O)N1[C@H](C(=O)N=c1[nH][n-]cc1C#N)CS2	ZINC000610620430	363586981	/nfs/dbraw/zinc/58/69/81/363586981.db2.gz	CWCIYOQZAYMAIY-QPUJVOFHSA-N	-1	0	291.336	0.096	20	30		CCEDRM
CCOC(=O)[C@H](C)CNC(=O)N=c1[n-]n(C)cc1C#N	ZINC000610634395	363589509	/nfs/dbraw/zinc/58/95/09/363589509.db2.gz	JZMAPZLQTOGJCF-MRVPVSSYSA-N	-1	0	279.300	0.034	20	30		CCEDRM
C=CCOC[C@@H](NC(=O)NCCc1nccs1)C(=O)[O-]	ZINC000684726843	545728862	/nfs/dbraw/zinc/72/88/62/545728862.db2.gz	SIVLHHXNNQVNLV-SECBINFHSA-N	-1	0	299.352	0.641	20	30		CCEDRM
N#Cc1ccc(CNC(=O)C(=O)NCCCC(=O)[O-])cc1	ZINC000567887825	358605773	/nfs/dbraw/zinc/60/57/73/358605773.db2.gz	SEVJSHLRIJSSJC-UHFFFAOYSA-N	-1	0	289.291	0.155	20	30		CCEDRM
COc1cncnc1[N-]S(=O)(=O)c1ccc(C#N)o1	ZINC000570097927	358823880	/nfs/dbraw/zinc/82/38/80/358823880.db2.gz	LQLZVBVTYLOAFK-UHFFFAOYSA-N	-1	0	280.265	0.751	20	30		CCEDRM
C[NH+](C)CCOCCNC(=O)c1cc(O)cc(C#N)c1	ZINC000589196516	359368057	/nfs/dbraw/zinc/36/80/57/359368057.db2.gz	LOVWGGGUCGKMBV-UHFFFAOYSA-N	-1	0	277.324	0.572	20	30		CCEDRM
N#Cc1ccc(S(=O)(=O)N2CCC[C@H]2CC(=O)[O-])o1	ZINC000588316670	359321737	/nfs/dbraw/zinc/32/17/37/359321737.db2.gz	WKEBWNHKYGCXCX-QMMMGPOBSA-N	-1	0	284.293	0.779	20	30		CCEDRM
CCN1C[C@H](C(=O)N=c2[nH][n-]c(C3CC3)c2C#N)CC1=O	ZINC000588766346	359336036	/nfs/dbraw/zinc/33/60/36/359336036.db2.gz	AJNZFRKOWBIHEW-SECBINFHSA-N	-1	0	287.323	0.388	20	30		CCEDRM
Cn1cc(C#N)c(=NC(=O)N2CC(C)(C)[C@@H]3COC[C@@H]32)[n-]1	ZINC000590822377	359527002	/nfs/dbraw/zinc/52/70/02/359527002.db2.gz	SXVYARBCPVMQDI-MNOVXSKESA-N	-1	0	289.339	0.602	20	30		CCEDRM
Cn1cc(C#N)c(=NC(=O)NC[C@]2(O)CCCC2(C)C)[n-]1	ZINC000590819749	359527520	/nfs/dbraw/zinc/52/75/20/359527520.db2.gz	UHRFXRCXZNWEQA-CQSZACIVSA-N	-1	0	291.355	0.776	20	30		CCEDRM
CC[C@H]1CC[C@@H](C(=O)[O-])N1S(=O)(=O)N(C)CCC#N	ZINC000592448258	359842891	/nfs/dbraw/zinc/84/28/91/359842891.db2.gz	NAJXPFZHTKDIKS-UWVGGRQHSA-N	-1	0	289.357	0.404	20	30		CCEDRM
CC[C@H](NC(=O)C(=O)Nc1cccc(C#N)c1C)C(=O)[O-]	ZINC000592425268	359836107	/nfs/dbraw/zinc/83/61/07/359836107.db2.gz	ZKHGEQNVJUVFHY-JTQLQIEISA-N	-1	0	289.291	0.785	20	30		CCEDRM
N#Cc1ccc(C(=O)N2CCC[C@@H](c3nnn[n-]3)C2)cn1	ZINC000611215213	363684203	/nfs/dbraw/zinc/68/42/03/363684203.db2.gz	YJQIJBPVMOLZJB-SNVBAGLBSA-N	-1	0	283.295	0.486	20	30		CCEDRM
Cc1c(C#N)c(=NC(=O)[C@H]2CCO[C@@H](C)C2)[n-]n1C	ZINC000592655006	359910338	/nfs/dbraw/zinc/91/03/38/359910338.db2.gz	UUZMXJXJFHOONI-WPRPVWTQSA-N	-1	0	262.313	0.776	20	30		CCEDRM
Cc1c(C(C)C)[nH][nH]c1=NC(=O)[C@H](C)n1cnc(C#N)n1	ZINC000592949593	359993028	/nfs/dbraw/zinc/99/30/28/359993028.db2.gz	KNYFBGPWLIBZDZ-VIFPVBQESA-N	-1	0	287.327	0.926	20	30		CCEDRM
C[C@H](CC#N)N(C)S(=O)(=O)NC1([C@@H](C)C(=O)[O-])CC1	ZINC000593272767	360058730	/nfs/dbraw/zinc/05/87/30/360058730.db2.gz	BTYNZBBGLOJFEU-BDAKNGLRSA-N	-1	0	289.357	0.308	20	30		CCEDRM
CC[C@@H](C#N)C(=O)N1CCC(c2n[nH]c(=O)[n-]2)CC1	ZINC000593672313	360132541	/nfs/dbraw/zinc/13/25/41/360132541.db2.gz	AWFDTRBKAGJNBF-QMMMGPOBSA-N	-1	0	263.301	0.766	20	30		CCEDRM
N#CCCCCS(=O)(=O)N[C@H](CCF)C(=O)[O-]	ZINC000594573611	360333101	/nfs/dbraw/zinc/33/31/01/360333101.db2.gz	OPMUUMSSPRUKQA-MRVPVSSYSA-N	-1	0	266.294	0.412	20	30		CCEDRM
Cc1cccc(NC(=O)C(=O)NC[C@H](C)C(=O)[O-])c1C#N	ZINC000594528520	360325946	/nfs/dbraw/zinc/32/59/46/360325946.db2.gz	UHZSUENNSJUKPB-VIFPVBQESA-N	-1	0	289.291	0.642	20	30		CCEDRM
N#CCC1(CNC(=O)C[C@]2(C(=O)[O-])CCOC2)CC1	ZINC000594659767	360355728	/nfs/dbraw/zinc/35/57/28/360355728.db2.gz	AJSZHAYSUUPFRQ-CYBMUJFWSA-N	-1	0	266.297	0.678	20	30		CCEDRM
CN(CC(=O)N[C@@](C)(C#N)C1CC1)Cc1n[n-]c(=O)o1	ZINC000595552261	360577298	/nfs/dbraw/zinc/57/72/98/360577298.db2.gz	RMSBGHNQTWLJQV-LBPRGKRZSA-N	-1	0	279.300	0.015	20	30		CCEDRM
Cc1cc(C#N)nc(N[C@@H]2C[C@H](C(=O)[O-])C[C@@H]2O)n1	ZINC000595978404	360754650	/nfs/dbraw/zinc/75/46/50/360754650.db2.gz	LOKIIZYFNXFCAM-SFGNSQDASA-N	-1	0	262.269	0.293	20	30		CCEDRM
N#Cc1nc(N[C@@H]2C[C@@H](C(=O)[O-])C[C@@H]2O)sc1Cl	ZINC000595979356	360754799	/nfs/dbraw/zinc/75/47/99/360754799.db2.gz	SZUXVSSRALCNNF-XAHCXIQSSA-N	-1	0	287.728	0.726	20	30		CCEDRM
N#Cc1cc2c(nc1N1C[C@@H]3COC[C@]3(C(=O)[O-])C1)CCC2	ZINC000595967493	360741427	/nfs/dbraw/zinc/74/14/27/360741427.db2.gz	IHWONQZUILTNHH-MLGOLLRUSA-N	-1	0	299.330	0.979	20	30		CCEDRM
Cn1[nH]c([C@H]2CCCN2c2ncc(C#N)cc2F)nc1=N	ZINC000596252807	360854176	/nfs/dbraw/zinc/85/41/76/360854176.db2.gz	SELGDFPSCMPYNU-SNVBAGLBSA-N	-1	0	287.302	0.975	20	30		CCEDRM
C=CCCNC(=O)N=c1ccc(C(=O)OC)n[n-]1	ZINC000596890801	360974701	/nfs/dbraw/zinc/97/47/01/360974701.db2.gz	OHEWDCBWBTZPAM-UHFFFAOYSA-N	-1	0	250.258	0.383	20	30		CCEDRM
CC[C@@H](C(=O)[O-])N(C)S(=O)(=O)c1ccc(C#N)o1	ZINC000563829712	291253645	/nfs/dbraw/zinc/25/36/45/291253645.db2.gz	FPWBGUFXPMIRES-QMMMGPOBSA-N	-1	0	272.282	0.635	20	30		CCEDRM
CSc1[n-]c(=O)c(C(=O)N2CCOC2)cc1C#N	ZINC000597721276	361211414	/nfs/dbraw/zinc/21/14/14/361211414.db2.gz	OEEUOMQFILVBOC-UHFFFAOYSA-N	-1	0	265.294	0.811	20	30		CCEDRM
Cn1c(C2CC2)n[n-]c1=NC(=O)c1cc(C#N)ccn1	ZINC000597898704	361280165	/nfs/dbraw/zinc/28/01/65/361280165.db2.gz	OGUFUVZTOYSHKK-UHFFFAOYSA-N	-1	0	268.280	0.633	20	30		CCEDRM
Cn1cc(C#N)c(=NC(=O)N2CCC[C@H](OC(F)F)C2)[n-]1	ZINC000611596540	363748036	/nfs/dbraw/zinc/74/80/36/363748036.db2.gz	WKEHXHRXTDZBAK-VIFPVBQESA-N	-1	0	299.281	0.949	20	30		CCEDRM
CCN(C(=O)c1c[nH]c2nc(=O)[n-]c(=O)c-2c1)[C@@H](C)C#N	ZINC000598352143	361393856	/nfs/dbraw/zinc/39/38/56/361393856.db2.gz	HFFKYYDZUZMPNN-ZETCQYMHSA-N	-1	0	287.279	0.810	20	30		CCEDRM
CCN(C(=O)CSc1n[nH]c(=O)[n-]1)[C@@H](C)C#N	ZINC000598361899	361397095	/nfs/dbraw/zinc/39/70/95/361397095.db2.gz	RXBJKHPZMPLHLJ-LURJTMIESA-N	-1	0	255.303	0.363	20	30		CCEDRM
C=CC[C@@H](C)[N-]S(=O)(=O)c1cc(C(=O)OC)no1	ZINC000599234258	361617890	/nfs/dbraw/zinc/61/78/90/361617890.db2.gz	GTZPEKBPTLFPCC-SSDOTTSWSA-N	-1	0	274.298	0.704	20	30		CCEDRM
C=CC[C@H](CC)NC(=O)C(=O)NC[C@@H](C(=O)[O-])C(C)C	ZINC000655986510	412725193	/nfs/dbraw/zinc/72/51/93/412725193.db2.gz	FQNFXKFZFNRREC-WDEREUQCSA-N	-1	0	284.356	0.930	20	30		CCEDRM
C=C(C)CC[N-]S(=O)(=O)c1nn(C)cc1[N+](=O)[O-]	ZINC000599316383	361649673	/nfs/dbraw/zinc/64/96/73/361649673.db2.gz	GSPUNEQJADYBKL-UHFFFAOYSA-N	-1	0	274.302	0.573	20	30		CCEDRM
C=C(CC)CNC(=O)C(=O)NC[C@@H](C(=O)[O-])C(C)C	ZINC000655996710	412727074	/nfs/dbraw/zinc/72/70/74/412727074.db2.gz	WEDZJNAAOFCZSK-SNVBAGLBSA-N	-1	0	270.329	0.542	20	30		CCEDRM
C=CCN(CC=C)C(=O)C(=O)NC[C@H](C)C(=O)[O-]	ZINC000656004850	412730058	/nfs/dbraw/zinc/73/00/58/412730058.db2.gz	SKOWDVKZKUPFEZ-VIFPVBQESA-N	-1	0	254.286	0.024	20	30		CCEDRM
N#Cc1cnc(C(=O)NCc2nnn[n-]2)c(Cl)c1	ZINC000613150411	364131498	/nfs/dbraw/zinc/13/14/98/364131498.db2.gz	HORDJJZPTDACKV-UHFFFAOYSA-N	-1	0	263.648	0.050	20	30		CCEDRM
Cn1cc(C#N)c(=NC(=O)NC[C@@H]2CCC(C)(C)O2)[n-]1	ZINC000614688615	364698304	/nfs/dbraw/zinc/69/83/04/364698304.db2.gz	UYHFZDSJJMUNBI-JTQLQIEISA-N	-1	0	277.328	0.793	20	30		CCEDRM
CO[C@H]1CN(C(=O)N=c2[n-]n(C)cc2C#N)CC[C@@H]1C	ZINC000615253052	364896490	/nfs/dbraw/zinc/89/64/90/364896490.db2.gz	GOMORELRLOOLDZ-ONGXEEELSA-N	-1	0	277.328	0.602	20	30		CCEDRM
C=CCCCNC(=O)C(=O)N1CC[C@H](C(=O)[O-])[C@@H](C)C1	ZINC000627273297	368940509	/nfs/dbraw/zinc/94/05/09/368940509.db2.gz	CEEGLKQBCZKTRO-QWRGUYRKSA-N	-1	0	282.340	0.638	20	30		CCEDRM
CC(C)n1cc(C#N)c([N-]S(=O)(=O)c2ccnn2C)n1	ZINC000330955763	203418041	/nfs/dbraw/zinc/41/80/41/203418041.db2.gz	MXJVZIBXWZIWJG-UHFFFAOYSA-N	-1	0	294.340	0.870	20	30		CCEDRM
C=CCOC[C@H](NC(=O)c1cocc1C)C(=O)[O-]	ZINC000630185793	369996157	/nfs/dbraw/zinc/99/61/57/369996157.db2.gz	GXKQMPUAWSPJLG-JTQLQIEISA-N	-1	0	253.254	0.974	20	30		CCEDRM
C=CCOC[C@H](NC(=O)COCC(F)F)C(=O)[O-]	ZINC000630186210	369996278	/nfs/dbraw/zinc/99/62/78/369996278.db2.gz	LPUALJXGICOTOY-ZETCQYMHSA-N	-1	0	267.228	0.040	20	30		CCEDRM
C=C(C)C[C@H](NC(=O)COCC(F)F)C(=O)[O-]	ZINC000630321730	370046786	/nfs/dbraw/zinc/04/67/86/370046786.db2.gz	MDPIUVGNXGCGSS-ZETCQYMHSA-N	-1	0	251.229	0.804	20	30		CCEDRM
C=C(C)C[C@@H](NC(=O)C(=O)c1c(C)nn(C)c1C)C(=O)[O-]	ZINC000630317347	370044796	/nfs/dbraw/zinc/04/47/96/370044796.db2.gz	PAHSASVJGOLQAS-SNVBAGLBSA-N	-1	0	293.323	0.755	20	30		CCEDRM
C=CCC[C@H](NC(=O)COc1cccnc1)C(=O)[O-]	ZINC000630181654	369994233	/nfs/dbraw/zinc/99/42/33/369994233.db2.gz	KCJKMORQLUWHGX-NSHDSACASA-N	-1	0	264.281	0.996	20	30		CCEDRM
C=CCOCCCC(=O)NC[C@]1(C(=O)[O-])CCCOC1	ZINC000630340748	370052460	/nfs/dbraw/zinc/05/24/60/370052460.db2.gz	NLSXLISJZMOZSP-CQSZACIVSA-N	-1	0	285.340	0.967	20	30		CCEDRM
CC(=O)N[C@H](C)C(=O)N=c1[nH][n-]c(C2CC2)c1C#N	ZINC000331744060	204114269	/nfs/dbraw/zinc/11/42/69/204114269.db2.gz	CBAWXFKBFCZVLE-ZCFIWIBFSA-N	-1	0	261.285	0.044	20	30		CCEDRM
C=CCCNC(=O)N1CC[C@H](OC)C[C@@H]1C(=O)[O-]	ZINC000656588308	412831131	/nfs/dbraw/zinc/83/11/31/412831131.db2.gz	IWOIWSUGPRLMBG-VHSXEESVSA-N	-1	0	256.302	0.836	20	30		CCEDRM
N#Cc1nc(NC(=O)COC[C@@H]2CCCO2)[n-]c1C#N	ZINC000049493305	284508470	/nfs/dbraw/zinc/50/84/70/284508470.db2.gz	YDTAHQMMRVLFTF-QMMMGPOBSA-N	-1	0	275.268	0.287	20	30		CCEDRM
C=CCOCCCNC(=O)N1CCSC[C@@H]1C(=O)[O-]	ZINC000656595883	412833430	/nfs/dbraw/zinc/83/34/30/412833430.db2.gz	SSZFIIHDFHOPGU-SNVBAGLBSA-N	-1	0	288.369	0.791	20	30		CCEDRM
C=CC[C@@H](CC)NC(=O)N=c1ccc(C(=O)NC)n[n-]1	ZINC000640337382	376330978	/nfs/dbraw/zinc/33/09/78/376330978.db2.gz	NCHGJDXQTUOTPC-SECBINFHSA-N	-1	0	277.328	0.734	20	30		CCEDRM
C=CC[C@H](CO)NC(=O)N=c1[n-]nc([C@@H]2CCCO2)s1	ZINC000640735197	376516582	/nfs/dbraw/zinc/51/65/82/376516582.db2.gz	ZYWPUIQRXQAMQE-BDAKNGLRSA-N	-1	0	298.368	0.870	20	30		CCEDRM
CNC(=O)C(C#N)=C([O-])c1ccnc(OCCOC)c1	ZINC000777304465	581112282	/nfs/dbraw/zinc/11/22/82/581112282.db2.gz	SWKCPXJLZRQIPG-SNVBAGLBSA-N	-1	0	277.280	0.175	20	30		CCEDRM
C=CCCO[C@@H](C)C(=O)[N-]S(=O)(=O)[C@H]1CCOC1	ZINC000733724658	581521753	/nfs/dbraw/zinc/52/17/53/581521753.db2.gz	WKVWLTPHFORQLW-UWVGGRQHSA-N	-1	0	277.342	0.203	20	30		CCEDRM
CO[C@@H](C)CS(=O)(=O)[N-]c1cccc(C#N)n1	ZINC000570569700	291765921	/nfs/dbraw/zinc/76/59/21/291765921.db2.gz	ABEHCQNYTBMVCP-QMMMGPOBSA-N	-1	0	255.299	0.730	20	30		CCEDRM
CO[C@H](C)CS(=O)(=O)[N-]c1cccc(C#N)n1	ZINC000570569698	291765924	/nfs/dbraw/zinc/76/59/24/291765924.db2.gz	ABEHCQNYTBMVCP-MRVPVSSYSA-N	-1	0	255.299	0.730	20	30		CCEDRM
CC[C@@H](CC#N)NC(=O)c1c[nH]c2nc(=O)[n-]c(=O)c-2c1	ZINC000183911674	388764382	/nfs/dbraw/zinc/76/43/82/388764382.db2.gz	UIANTXGTLWFNQP-QMMMGPOBSA-N	-1	0	287.279	0.033	20	30		CCEDRM
C=CCN(CC(=O)[O-])S(=O)(=O)C[C@H]1CCCO1	ZINC000092463950	389028229	/nfs/dbraw/zinc/02/82/29/389028229.db2.gz	XRBLXBOPXKVVHT-SECBINFHSA-N	-1	0	263.315	0.068	20	30		CCEDRM
COc1ccc(S(=O)(=O)[N-]c2n[nH]c(C)c2C#N)cn1	ZINC000193035741	389059970	/nfs/dbraw/zinc/05/99/70/389059970.db2.gz	ZLLUPNHSPXZTSB-UHFFFAOYSA-N	-1	0	293.308	0.794	20	30		CCEDRM
C[C@@H](C#N)CN(C(=O)c1cnc([O-])n(C)c1=O)C1CC1	ZINC000338382959	389111363	/nfs/dbraw/zinc/11/13/63/389111363.db2.gz	OMTOBJFMZIVCDD-QMMMGPOBSA-N	-1	0	276.296	0.250	20	30		CCEDRM
Cc1nc(S(=O)(=O)[N-]c2ccn(CCC#N)n2)cn1C	ZINC000117741063	389136427	/nfs/dbraw/zinc/13/64/27/389136427.db2.gz	NLWRAEUZMUTONM-UHFFFAOYSA-N	-1	0	294.340	0.640	20	30		CCEDRM
Cn1cc2c(n1)CCC[C@H]2C(=O)N=c1[n-]n(C)cc1C#N	ZINC000329761771	389197472	/nfs/dbraw/zinc/19/74/72/389197472.db2.gz	RWMVIVAPVBQQHE-SNVBAGLBSA-N	-1	0	284.323	0.506	20	30		CCEDRM
CC(=O)N1CC[C@@H](NC(=O)N=c2[n-]nc(C)s2)C1	ZINC000329958072	389214642	/nfs/dbraw/zinc/21/46/42/389214642.db2.gz	QKBVZAYXOKGPFM-MRVPVSSYSA-N	-1	0	269.330	0.215	20	30		CCEDRM
CN1CC[C@@H](/N=C/c2cc([N+](=O)[O-])ccc2[O-])C1=O	ZINC000150942117	389275083	/nfs/dbraw/zinc/27/50/83/389275083.db2.gz	QMANKNOBGVJAQC-SRMXYGTFSA-N	-1	0	263.253	0.950	20	30		CCEDRM
N#Cc1ccc(S(=O)(=O)N[C@@H]2C=C[C@H](C(=O)[O-])C2)cn1	ZINC000159668382	389370765	/nfs/dbraw/zinc/37/07/65/389370765.db2.gz	LMYVZWQKAVQEJD-DTWKUNHWSA-N	-1	0	293.304	0.261	20	30		CCEDRM
C[C@@H](CCC(=O)[O-])NS(=O)(=O)c1ccc(C#N)nc1	ZINC000159657295	389370768	/nfs/dbraw/zinc/37/07/68/389370768.db2.gz	RXQUEJZXOXTRIJ-QMMMGPOBSA-N	-1	0	283.309	0.485	20	30		CCEDRM
CC(C)N(CCC(=O)[O-])S(=O)(=O)c1ccc(C#N)nc1	ZINC000159680626	389371356	/nfs/dbraw/zinc/37/13/56/389371356.db2.gz	MJJVNJNICCPGNB-UHFFFAOYSA-N	-1	0	297.336	0.827	20	30		CCEDRM
COC(=O)c1cnc(S(=O)(=O)CCCCC#N)[n-]1	ZINC000350177243	389496138	/nfs/dbraw/zinc/49/61/38/389496138.db2.gz	QJCZLMHBLIWMIA-UHFFFAOYSA-N	-1	0	271.298	0.664	20	30		CCEDRM
C=C(C)[C@H]1OCC[C@H]1CNC(=O)CSc1n[nH]c(=O)[n-]1	ZINC000281260754	389611876	/nfs/dbraw/zinc/61/18/76/389611876.db2.gz	GJIUGVRGOGOJHV-WCBMZHEXSA-N	-1	0	298.368	0.288	20	30		CCEDRM
C=CCCn1cc(C(=O)N2CC[C@@H](C(=O)[O-])[C@H]2C)nn1	ZINC000425248961	389642690	/nfs/dbraw/zinc/64/26/90/389642690.db2.gz	CUZMIYQDOAUPIE-NXEZZACHSA-N	-1	0	278.312	0.789	20	30		CCEDRM
C=CCCn1cc(C(=O)N[C@@]2(C(=O)[O-])CCSC2)nn1	ZINC000425237076	389643079	/nfs/dbraw/zinc/64/30/79/389643079.db2.gz	GNPWSIWLOBMROR-LBPRGKRZSA-N	-1	0	296.352	0.544	20	30		CCEDRM
C=CCCn1cc(C(=O)N2C[C@@H](OC)C[C@H]2C(=O)[O-])nn1	ZINC000425239766	389643264	/nfs/dbraw/zinc/64/32/64/389643264.db2.gz	KXFNNROWRZVYRG-ONGXEEELSA-N	-1	0	294.311	0.168	20	30		CCEDRM
Cn1ncc(C#N)c1[N-]S(=O)(=O)c1ccoc1	ZINC000351303481	389573380	/nfs/dbraw/zinc/57/33/80/389573380.db2.gz	LXGGFGXGRAZTCX-UHFFFAOYSA-N	-1	0	252.255	0.686	20	30		CCEDRM
N#Cc1ccc(/C=C/c2cn(CC(=O)[O-])nn2)nc1	ZINC000179407296	389656332	/nfs/dbraw/zinc/65/63/32/389656332.db2.gz	WFOANZJNPKWWPT-ONEGZZNKSA-N	-1	0	255.237	0.800	20	30		CCEDRM
N#Cc1cc(F)c(C(=O)NCc2n[nH]c(=O)[n-]2)c(F)c1	ZINC000392721316	389774806	/nfs/dbraw/zinc/77/48/06/389774806.db2.gz	OWURUBMHPHYJFA-UHFFFAOYSA-N	-1	0	279.206	0.590	20	30		CCEDRM
CC#CCCNC(=O)C(=O)N=c1nc(C(C)(C)C)[n-]s1	ZINC000440720938	390043334	/nfs/dbraw/zinc/04/33/34/390043334.db2.gz	BBYVSCSGZABGMA-UHFFFAOYSA-N	-1	0	294.380	0.726	20	30		CCEDRM
C=CC[C@@H](CO)NC(=O)N=c1ccc(C(F)(F)F)n[n-]1	ZINC000471944731	390080146	/nfs/dbraw/zinc/08/01/46/390080146.db2.gz	SJRMKLPPEAAFLM-ZETCQYMHSA-N	-1	0	290.245	0.976	20	30		CCEDRM
C=CCC[C@H](NS(=O)(=O)c1ccn(C)n1)C(=O)[O-]	ZINC000578984850	390131160	/nfs/dbraw/zinc/13/11/60/390131160.db2.gz	LWLFOJKWNSIKPL-QMMMGPOBSA-N	-1	0	273.314	0.118	20	30		CCEDRM
C=CCn1cc(C(=O)N(C)C[C@@H](C)C(=O)[O-])nn1	ZINC000647743107	390156370	/nfs/dbraw/zinc/15/63/70/390156370.db2.gz	YIAYUYBOHUBPNA-MRVPVSSYSA-N	-1	0	252.274	0.257	20	30		CCEDRM
CCN(CC(=O)[O-])S(=O)(=O)c1ccc(C#N)cc1OC	ZINC000547910660	390408027	/nfs/dbraw/zinc/40/80/27/390408027.db2.gz	RCMHGIQCDVUMNV-UHFFFAOYSA-N	-1	0	298.320	0.662	20	30		CCEDRM
C=CCn1cc(C(=O)N[C@H](CCC)c2nnn[n-]2)nn1	ZINC000648815505	390415438	/nfs/dbraw/zinc/41/54/38/390415438.db2.gz	TYEIFTQLUYYUBM-MRVPVSSYSA-N	-1	0	276.304	0.248	20	30		CCEDRM
Cc1c(C#N)c(=NC(=O)[C@H]2CCC(=O)c3cccn32)[n-]n1C	ZINC000648434307	390372531	/nfs/dbraw/zinc/37/25/31/390372531.db2.gz	FYDDEWCEFPFGDF-GFCCVEGCSA-N	-1	0	297.318	0.980	20	30		CCEDRM
C=CCOC[C@H](NC(=O)NCc1cc(CC)no1)C(=O)[O-]	ZINC000562457229	390490001	/nfs/dbraw/zinc/49/00/01/390490001.db2.gz	DKXPSTSKWZYDSV-NSHDSACASA-N	-1	0	297.311	0.692	20	30		CCEDRM
C=C[C@@](C)(O)CC(=O)N1CCC[C@H](c2n[nH]c(=O)[n-]2)C1	ZINC000565308108	390501340	/nfs/dbraw/zinc/50/13/40/390501340.db2.gz	TWHUFABHZQBTKM-TVQRCGJNSA-N	-1	0	280.328	0.543	20	30		CCEDRM
C=C(C)[C@H]1OCC[C@H]1C(=O)N1CCC[C@@H](c2nnn[n-]2)C1	ZINC000514769500	390468912	/nfs/dbraw/zinc/46/89/12/390468912.db2.gz	AGUYRSBAQBLECO-IJLUTSLNSA-N	-1	0	291.355	0.887	20	30		CCEDRM
C[C@H](CC#N)N(C)S(=O)(=O)N1CC[C@@H](CC(=O)[O-])C1	ZINC000519662850	390527104	/nfs/dbraw/zinc/52/71/04/390527104.db2.gz	ZTWUIIUZECJRPC-ZJUUUORDSA-N	-1	0	289.357	0.262	20	30		CCEDRM
C=CCn1cc(C(=O)N[C@@]2(C(=O)[O-])CCSC2)nn1	ZINC000649246113	390536202	/nfs/dbraw/zinc/53/62/02/390536202.db2.gz	NTZSCPVEBCJOEH-NSHDSACASA-N	-1	0	282.325	0.154	20	30		CCEDRM
C=CCn1cc(C(=O)N2CCCC[C@H]2CC(=O)[O-])nn1	ZINC000649248124	390536618	/nfs/dbraw/zinc/53/66/18/390536618.db2.gz	YMPRHZPAHWGVIR-JTQLQIEISA-N	-1	0	278.312	0.934	20	30		CCEDRM
C=CCn1cc(C(=O)N2CC[C@H](C)C[C@H]2C(=O)[O-])nn1	ZINC000649251004	390538447	/nfs/dbraw/zinc/53/84/47/390538447.db2.gz	FEBJEKQYZRMNGT-ONGXEEELSA-N	-1	0	278.312	0.789	20	30		CCEDRM
C=C(C)CS(=O)(=O)NC1(C(=O)[O-])CCSCC1	ZINC000646028139	390575293	/nfs/dbraw/zinc/57/52/93/390575293.db2.gz	MNAVKWJMNDRYGR-UHFFFAOYSA-N	-1	0	279.383	0.832	20	30		CCEDRM
C=CCCS(=O)(=O)N[C@]1(C(=O)[O-])CCSC1	ZINC000566183850	390593045	/nfs/dbraw/zinc/59/30/45/390593045.db2.gz	JOJQSIRJZDMADR-SECBINFHSA-N	-1	0	265.356	0.442	20	30		CCEDRM
C=C[C@H](CCC(=O)[O-])NS(=O)(=O)CCOCC1CC1	ZINC000570676631	390719152	/nfs/dbraw/zinc/71/91/52/390719152.db2.gz	SHCZXYWEAGUYJU-LLVKDONJSA-N	-1	0	291.369	0.752	20	30		CCEDRM
C=C[C@H](CCC(=O)[O-])NS(=O)(=O)N1CCC(C)CC1	ZINC000567345997	390693911	/nfs/dbraw/zinc/69/39/11/390693911.db2.gz	GECBVGGLMVQOBM-LLVKDONJSA-N	-1	0	290.385	0.972	20	30		CCEDRM
C=CCC(C)(C)CNC(=O)c1n[nH]c(=O)[n-]c1=O	ZINC000647120983	390777356	/nfs/dbraw/zinc/77/73/56/390777356.db2.gz	TYRXPMFVKZJALP-UHFFFAOYSA-N	-1	0	252.274	0.615	20	30		CCEDRM
CC(C)(C)C(=O)N1CC(n2cc(C#N)c(=O)[n-]c2=O)C1	ZINC000530267329	390875789	/nfs/dbraw/zinc/87/57/89/390875789.db2.gz	PRMSTGJEPVLWJS-UHFFFAOYSA-N	-1	0	276.296	0.250	20	30		CCEDRM
CC1CC(C#N)(C(=O)Nc2n[n-]c(S(C)(=O)=O)n2)C1	ZINC000532266083	390878749	/nfs/dbraw/zinc/87/87/49/390878749.db2.gz	PDGVGYFYHBVWMV-UHFFFAOYSA-N	-1	0	283.313	0.087	20	30		CCEDRM
COc1ccc(=NC(=O)N2CC(NC(=O)C3CC3)C2)[n-]n1	ZINC000329122174	533252361	/nfs/dbraw/zinc/25/23/61/533252361.db2.gz	KTXSEDKGUJWGKV-UHFFFAOYSA-N	-1	0	291.311	0.490	20	30		CCEDRM
C=CCOCCCC(=O)N1C[C@@H](C)O[C@H](C(=O)[O-])C1	ZINC000262287334	131208098	/nfs/dbraw/zinc/20/80/98/131208098.db2.gz	ZTNBWSFKVJKOCY-MNOVXSKESA-N	-1	0	271.313	0.670	20	30		CCEDRM
N#Cc1ccc(S(=O)(=O)NCCCC(=O)[O-])cc1F	ZINC000263059916	131280675	/nfs/dbraw/zinc/28/06/75/131280675.db2.gz	HLZVSVQEVXYWSV-UHFFFAOYSA-N	-1	0	286.284	0.840	20	30		CCEDRM
COc1cc(C#N)ccc1OCC(=O)N(C)[C@@H](C)C(=O)[O-]	ZINC000263341447	131290666	/nfs/dbraw/zinc/29/06/66/131290666.db2.gz	XRPIFPNAJMCYPT-VIFPVBQESA-N	-1	0	292.291	0.877	20	30		CCEDRM
COCc1n[n-]c(=NCCCc2[nH]nc(N)c2C#N)s1	ZINC000357027402	144051878	/nfs/dbraw/zinc/05/18/78/144051878.db2.gz	LOHHAGSIWDSOEL-UHFFFAOYSA-N	-1	0	293.356	0.158	20	30		CCEDRM
Cc1[n-][nH]c(=NC(=O)c2c[nH]c(=O)c([N+](=O)[O-])c2)c1C#N	ZINC000357227053	144070719	/nfs/dbraw/zinc/07/07/19/144070719.db2.gz	FUYLCHBVZSFBCU-UHFFFAOYSA-N	-1	0	288.223	0.273	20	30		CCEDRM
CN(C)c1ccc(S(=O)(=O)[N-]c2n[nH]cc2C#N)cn1	ZINC000357385175	144087072	/nfs/dbraw/zinc/08/70/72/144087072.db2.gz	IPYKHUBKWZTOHO-UHFFFAOYSA-N	-1	0	292.324	0.543	20	30		CCEDRM
Cc1oc(C#N)cc1C(=O)[N-]S(=O)(=O)[C@H]1CCCOC1	ZINC000408483190	144475790	/nfs/dbraw/zinc/47/57/90/144475790.db2.gz	BEZKPGRBEUAXCJ-JTQLQIEISA-N	-1	0	298.320	0.698	20	30		CCEDRM
CO[C@H](CNS(=O)(=O)c1cccc(C)c1C#N)C(=O)[O-]	ZINC000548540464	286046822	/nfs/dbraw/zinc/04/68/22/286046822.db2.gz	ONYWCUSRRVALET-SNVBAGLBSA-N	-1	0	298.320	0.245	20	30		CCEDRM
C=CCOC[C@H](NC(=O)[C@@]12C[C@@H]1COC2(C)C)C(=O)[O-]	ZINC000659156820	413317989	/nfs/dbraw/zinc/31/79/89/413317989.db2.gz	OSKLSMUBRPHDLY-ISTVAULSSA-N	-1	0	283.324	0.574	20	30		CCEDRM
C[C@H](NS(=O)(=O)Cc1ccccc1C#N)C(=O)[O-]	ZINC000021813891	171331230	/nfs/dbraw/zinc/33/12/30/171331230.db2.gz	KMGUIWWXINKEBV-QMMMGPOBSA-N	-1	0	268.294	0.451	20	30		CCEDRM
N#CCCNS(=O)(=O)c1ccc(/C=C/C(=O)[O-])cc1	ZINC000021949315	171338706	/nfs/dbraw/zinc/33/87/06/171338706.db2.gz	KAYJCKIMGBDAJW-QPJJXVBHSA-N	-1	0	280.305	0.976	20	30		CCEDRM
C=CCOC[C@H](NC(=O)c1cc(OC)ccn1)C(=O)[O-]	ZINC000653659043	412332346	/nfs/dbraw/zinc/33/23/46/412332346.db2.gz	BBSQXZUAWNGSMF-NSHDSACASA-N	-1	0	280.280	0.476	20	30		CCEDRM
C=CCOCCNC(=O)N[C@@]1(C(=O)[O-])CCSC1	ZINC000654814002	412440527	/nfs/dbraw/zinc/44/05/27/412440527.db2.gz	OIQUEMNJATXLJG-NSHDSACASA-N	-1	0	274.342	0.449	20	30		CCEDRM
CC[C@H](NC(=O)COc1ccc(C#N)cc1)C(=O)[O-]	ZINC000035096454	171975061	/nfs/dbraw/zinc/97/50/61/171975061.db2.gz	WSUDXHZSZXNGAZ-NSHDSACASA-N	-1	0	262.265	0.916	20	30		CCEDRM
C=CCCn1cc(C(=O)N(CC)[C@@H](C)C(=O)[O-])nn1	ZINC000659771370	413865970	/nfs/dbraw/zinc/86/59/70/413865970.db2.gz	UOSHQKKQZSNMDY-VIFPVBQESA-N	-1	0	266.301	0.789	20	30		CCEDRM
C=CC[C@@H]1CCCN(C(=O)C(=O)N(C)C[C@H](C)C(=O)[O-])C1	ZINC000662914700	414888768	/nfs/dbraw/zinc/88/87/68/414888768.db2.gz	UFQASQYUAPPZKQ-NWDGAFQWSA-N	-1	0	296.367	0.980	20	30		CCEDRM
C=CCCOCC(=O)NC1(C(=O)[O-])CCOCC1	ZINC000663142400	415006122	/nfs/dbraw/zinc/00/61/22/415006122.db2.gz	GVOJJFXMGSEFEP-UHFFFAOYSA-N	-1	0	257.286	0.329	20	30		CCEDRM
C=CCn1cc(C(=O)NC[C@@H](C(=O)[O-])C2CCC2)nn1	ZINC000663153957	415011347	/nfs/dbraw/zinc/01/13/47/415011347.db2.gz	QRDIOAHNICXFAZ-SNVBAGLBSA-N	-1	0	278.312	0.695	20	30		CCEDRM
C=CCOCCNC(=O)C[C@]1(C(=O)[O-])CCSC1	ZINC000663229414	415022174	/nfs/dbraw/zinc/02/21/74/415022174.db2.gz	NVMPWIPGJYSBLD-GFCCVEGCSA-N	-1	0	273.354	0.903	20	30		CCEDRM
C=CCOCCNC(=O)N[C@H](C(=O)[O-])[C@@H]1CCCOC1	ZINC000663267040	415030785	/nfs/dbraw/zinc/03/07/85/415030785.db2.gz	WQUZLZDXPUSMIU-MNOVXSKESA-N	-1	0	286.328	0.368	20	30		CCEDRM
C=CCCS(=O)(=O)N1C[C@@H]2C[C@@]1(C(=O)[O-])[C@@H]2C	ZINC000663292255	415040115	/nfs/dbraw/zinc/04/01/15/415040115.db2.gz	SULFLCOYKKHFFY-YWVKMMECSA-N	-1	0	259.327	0.687	20	30		CCEDRM
C=CC[C@H](CO)NC(=O)NC[C@H](C(=O)[O-])C1CCC1	ZINC000665319943	415598969	/nfs/dbraw/zinc/59/89/69/415598969.db2.gz	BTHYCBLFVKZFGZ-MNOVXSKESA-N	-1	0	270.329	0.724	20	30		CCEDRM
C[C@H](Sc1n[n-]c(=N)s1)C(=O)NC1(C#N)CCC1	ZINC000331663843	228117819	/nfs/dbraw/zinc/11/78/19/228117819.db2.gz	YUWLMWPEZPEQTI-LURJTMIESA-N	-1	0	283.382	0.994	20	30		CCEDRM
C=CCNS(=O)(=O)c1cc(C(=O)[O-])n(CC)c1	ZINC000036864123	544421005	/nfs/dbraw/zinc/42/10/05/544421005.db2.gz	XXVUTNXTIIRCBM-UHFFFAOYSA-N	-1	0	258.299	0.671	20	30		CCEDRM
C=CCCNS(=O)(=O)N1CCC(C(=O)[O-])CC1	ZINC000159091668	544692599	/nfs/dbraw/zinc/69/25/99/544692599.db2.gz	DVRJOAZOOJSBNZ-UHFFFAOYSA-N	-1	0	262.331	0.194	20	30		CCEDRM
C=CCCCNC(=O)C(=O)N=c1ncn(C(C)(C)C)[n-]1	ZINC000448376929	261134691	/nfs/dbraw/zinc/13/46/91/261134691.db2.gz	RDMWFAIOUSMANW-UHFFFAOYSA-N	-1	0	279.344	0.476	20	30		CCEDRM
C[C@@H]1CCC[C@@](C#N)(NC(=O)CSc2n[nH]c(=O)[n-]2)C1	ZINC000185676605	262065689	/nfs/dbraw/zinc/06/56/89/262065689.db2.gz	FRXMPUBNAQOTPJ-PRHODGIISA-N	-1	0	295.368	0.779	20	30		CCEDRM
CC[C@]1(C(=O)[O-])CCCN1S(=O)(=O)CCCC#N	ZINC000365287998	262358120	/nfs/dbraw/zinc/35/81/20/262358120.db2.gz	HYZVAOGPWBBBLA-LLVKDONJSA-N	-1	0	274.342	0.949	20	30		CCEDRM
CC1(C)CCCN(C(=O)CSc2n[nH]c(=O)[n-]2)[C@H]1C#N	ZINC000277504156	263041398	/nfs/dbraw/zinc/04/13/98/263041398.db2.gz	KMTFHVGDTLSCNP-QMMMGPOBSA-N	-1	0	295.368	0.731	20	30		CCEDRM
CCc1nn(C)cc1C(=O)NCc1n[nH]c(=O)[n-]1	ZINC000330630665	264000153	/nfs/dbraw/zinc/00/01/53/264000153.db2.gz	DJEIJTYDEZWORB-UHFFFAOYSA-N	-1	0	250.262	0.311	20	30		CCEDRM
N#CCN(C(=O)CSc1n[nH]c(=O)[n-]1)C1CCCC1	ZINC000331172086	264146604	/nfs/dbraw/zinc/14/66/04/264146604.db2.gz	ZTSKWYCWYSKMJX-UHFFFAOYSA-N	-1	0	281.341	0.897	20	30		CCEDRM
C#CCO[N-]C(=O)[C@H]1CCCCN1C(=O)CCC	ZINC000291233653	264816229	/nfs/dbraw/zinc/81/62/29/264816229.db2.gz	KOWIACSITBRKGV-LLVKDONJSA-N	-1	0	252.314	0.849	20	30		CCEDRM
N#CCCn1ccc(=NC(=O)c2ccc([N+](=O)[O-])[n-]2)[nH]1	ZINC000344435632	265061641	/nfs/dbraw/zinc/06/16/41/265061641.db2.gz	NVMOQHCHYPRNIJ-UHFFFAOYSA-N	-1	0	274.240	0.707	20	30		CCEDRM
Cc1cnn(C)c1S(=O)(=O)[N-]c1ccn(CCC#N)n1	ZINC000349975882	265219428	/nfs/dbraw/zinc/21/94/28/265219428.db2.gz	STCMOXYGVCRBAZ-UHFFFAOYSA-N	-1	0	294.340	0.640	20	30		CCEDRM
C[C@@H](C#N)CNC(=O)c1c[nH]c2nc(=O)[n-]c(=O)c-2c1	ZINC000518947405	265240116	/nfs/dbraw/zinc/24/01/16/265240116.db2.gz	DYYBULQYFXNEGB-LURJTMIESA-N	-1	0	273.252	0.325	20	30		CCEDRM
C=CCOCC(=O)Nc1ccc(-n2nn[n-]c2=O)cc1	ZINC000356995566	266227517	/nfs/dbraw/zinc/22/75/17/266227517.db2.gz	JCRWTGCRLNRAGR-UHFFFAOYSA-N	-1	0	275.268	0.509	20	30		CCEDRM
O=C([O-])Cn1cc(/C=C2/Oc3cc(O)ccc3C2=O)nn1	ZINC000368680470	267197550	/nfs/dbraw/zinc/19/75/50/267197550.db2.gz	MVYBXULRCQUMBP-QDEBKDIKSA-N	-1	0	287.231	0.685	20	30		CCEDRM
C=C[C@@H]1OCC[C@H]1CNC(=O)CSc1n[nH]c(=O)[n-]1	ZINC000562997697	327739832	/nfs/dbraw/zinc/73/98/32/327739832.db2.gz	HXTDJPYDVXASBO-YUMQZZPRSA-N	-1	0	284.341	0.310	20	30		CCEDRM
CN(CCC#N)S(=O)(=O)N1CCC[C@]1(C)C(=O)[O-]	ZINC000526061018	327891783	/nfs/dbraw/zinc/89/17/83/327891783.db2.gz	VZXIQUURYIEDQE-SNVBAGLBSA-N	-1	0	275.330	0.016	20	30		CCEDRM
Cc1cc(=NC(=O)NCCCC(=O)[O-])[nH]n1CCC#N	ZINC000563624435	328078200	/nfs/dbraw/zinc/07/82/00/328078200.db2.gz	NTODXZHXHGDXJT-UHFFFAOYSA-N	-1	0	279.300	0.513	20	30		CCEDRM
C=CCCCS(=O)(=O)N(C)[C@@H](COC)C(=O)[O-]	ZINC000571499301	328128678	/nfs/dbraw/zinc/12/86/78/328128678.db2.gz	FWOQMBHJRGOQNG-VIFPVBQESA-N	-1	0	265.331	0.314	20	30		CCEDRM
C#CCN(CC#N)C(=O)C(C)(C)[N-]C(=O)C(F)(F)F	ZINC000281482568	328239841	/nfs/dbraw/zinc/23/98/41/328239841.db2.gz	HUWPZLOVOPLQNN-UHFFFAOYSA-N	-1	0	275.230	0.429	20	30		CCEDRM
C=CCCCS(=O)(=O)N1CCOC[C@@H]1C(=O)[O-]	ZINC000291843953	328535577	/nfs/dbraw/zinc/53/55/77/328535577.db2.gz	HTUXZJMXFAYULN-SECBINFHSA-N	-1	0	263.315	0.068	20	30		CCEDRM
N#C[C@@H]1N(Cc2n[nH]c(=O)[n-]2)CCC[C@]12CCCCO2	ZINC000569433970	327176567	/nfs/dbraw/zinc/17/65/67/327176567.db2.gz	WNKFDTCEADDPMH-GXFFZTMASA-N	-1	0	277.328	0.938	20	30		CCEDRM
C=CCN(CC(=O)[O-])S(=O)(=O)N1C[C@H](C)C[C@H](C)C1	ZINC000092463778	327208833	/nfs/dbraw/zinc/20/88/33/327208833.db2.gz	LZLUVABMWUSUEI-PHIMTYICSA-N	-1	0	290.385	0.782	20	30		CCEDRM
C=C(C)COCCNC(=O)N(CC(=O)[O-])C1CC1	ZINC000166869604	328673248	/nfs/dbraw/zinc/67/32/48/328673248.db2.gz	BBSLWGVFEZPBLA-UHFFFAOYSA-N	-1	0	256.302	0.838	20	30		CCEDRM
C=CC[C@@H](CC)NC(=O)N1CCOC[C@@H]1C(=O)[O-]	ZINC000393761538	329089551	/nfs/dbraw/zinc/08/95/51/329089551.db2.gz	MYEDBOQMQJSHIK-NXEZZACHSA-N	-1	0	256.302	0.836	20	30		CCEDRM
C=CCOCCCC(=O)N1C[C@@H](OC)C[C@@H]1C(=O)[O-]	ZINC000262171097	330001293	/nfs/dbraw/zinc/00/12/93/330001293.db2.gz	QLUMBSOBGVMGTB-WDEREUQCSA-N	-1	0	271.313	0.670	20	30		CCEDRM
N#CC1(CS(=O)(=O)N2CCC(C(=O)[O-])CC2)CC1	ZINC000262350990	330007482	/nfs/dbraw/zinc/00/74/82/330007482.db2.gz	BAESRSBCTUQJDB-UHFFFAOYSA-N	-1	0	272.326	0.417	20	30		CCEDRM
C=CCOC[C@@H](NC(=O)c1ccc2c(c1)OCO2)C(=O)[O-]	ZINC000262879979	330036070	/nfs/dbraw/zinc/03/60/70/330036070.db2.gz	CBEDDQPJNZMTDM-SNVBAGLBSA-N	-1	0	293.275	0.801	20	30		CCEDRM
C=CCOC[C@@H](NC(=O)[C@H](C)CSC)C(=O)[O-]	ZINC000262903597	330036718	/nfs/dbraw/zinc/03/67/18/330036718.db2.gz	DWKGDICIONYCBA-RKDXNWHRSA-N	-1	0	261.343	0.758	20	30		CCEDRM
C=CCC[C@@H](NC(=O)CCCNC(=O)C1CC1)C(=O)[O-]	ZINC000262919238	330036984	/nfs/dbraw/zinc/03/69/84/330036984.db2.gz	NWDQJBRAWWLOMC-LLVKDONJSA-N	-1	0	282.340	0.828	20	30		CCEDRM
C=CCOC[C@H](NC(=O)C[C@@H](C)SC)C(=O)[O-]	ZINC000262996423	330038187	/nfs/dbraw/zinc/03/81/87/330038187.db2.gz	LWKJDRWXLXLESO-BDAKNGLRSA-N	-1	0	261.343	0.900	20	30		CCEDRM
C=CCOc1cccnc1C(=O)N[C@H](CF)C(=O)[O-]	ZINC000263056944	330041269	/nfs/dbraw/zinc/04/12/69/330041269.db2.gz	WXPWWGWFBYGKTR-MRVPVSSYSA-N	-1	0	268.244	0.799	20	30		CCEDRM
C=CCOC[C@@H](NC(=O)c1cnn2c1CCCC2)C(=O)[O-]	ZINC000263080631	330042655	/nfs/dbraw/zinc/04/26/55/330042655.db2.gz	RYYUNWYDVCWVKF-LLVKDONJSA-N	-1	0	293.323	0.605	20	30		CCEDRM
C#C[C@H](NC(=O)N1C[C@H](C)C[C@H](C(=O)[O-])C1)[C@H]1CCCO1	ZINC000263132655	330043536	/nfs/dbraw/zinc/04/35/36/330043536.db2.gz	CZTQOWNAGYOSJH-MROQNXINSA-N	-1	0	294.351	0.919	20	30		CCEDRM
C=CCCS(=O)(=O)N1C[C@H](C)C[C@H](C(=O)[O-])C1	ZINC000263253271	330050804	/nfs/dbraw/zinc/05/08/04/330050804.db2.gz	TUCWMOTZQQBYMU-ZJUUUORDSA-N	-1	0	261.343	0.935	20	30		CCEDRM
C#C[C@H](NC(=O)N(C)C[C@@H](C)C(=O)[O-])[C@H]1CCCO1	ZINC000263376092	330053427	/nfs/dbraw/zinc/05/34/27/330053427.db2.gz	OGZZRALZFBPSBS-OUAUKWLOSA-N	-1	0	268.313	0.529	20	30		CCEDRM
C#C[C@H](NC(=O)N1CC[C@@H](C(=O)[O-])C1)[C@H]1CCCO1	ZINC000263407437	330053971	/nfs/dbraw/zinc/05/39/71/330053971.db2.gz	UCKXIYXBUCMACJ-OUAUKWLOSA-N	-1	0	266.297	0.283	20	30		CCEDRM
C#CCNC(=O)c1ccc(N2CCC[C@@H]2C(=O)[O-])nc1	ZINC000263448486	330056503	/nfs/dbraw/zinc/05/65/03/330056503.db2.gz	ZKRYXGAUTRDRAC-LLVKDONJSA-N	-1	0	273.292	0.498	20	30		CCEDRM
CCN(CCC#N)S(=O)(=O)N[C@H](C(=O)[O-])C(C)C	ZINC000263542708	330059158	/nfs/dbraw/zinc/05/91/58/330059158.db2.gz	DWCPFEDRZBSWRR-VIFPVBQESA-N	-1	0	277.346	0.166	20	30		CCEDRM
C=CC1CCN(C(=O)C(=O)N(C)C[C@H](C)C(=O)[O-])CC1	ZINC000422823126	330156543	/nfs/dbraw/zinc/15/65/43/330156543.db2.gz	LGKISKWXFGQKSZ-JTQLQIEISA-N	-1	0	282.340	0.590	20	30		CCEDRM
C=C[C@@H]1CCCCN1C(=O)C(=O)N1CC[C@@H](C(=O)[O-])C1	ZINC000422909722	330159904	/nfs/dbraw/zinc/15/99/04/330159904.db2.gz	OWJFAGHJHPRIJE-GHMZBOCLSA-N	-1	0	280.324	0.487	20	30		CCEDRM
C=CCOC[C@H](NC(=O)[C@@H]1O[C@@H](C)C[C@@H]1C)C(=O)[O-]	ZINC000515487483	330478470	/nfs/dbraw/zinc/47/84/70/330478470.db2.gz	VOVUPNUETFMGSQ-XWLWVQCSSA-N	-1	0	271.313	0.572	20	30		CCEDRM
C#C[C@H]1COCCN1C(=O)c1cccc([O-])c1[N+](=O)[O-]	ZINC000491647721	332264282	/nfs/dbraw/zinc/26/42/82/332264282.db2.gz	ZEFYLGIYVNNJCV-VIFPVBQESA-N	-1	0	276.248	0.775	20	30		CCEDRM
C#CCn1ccnc1C=NNc1[n-]cnc2ncnc1-2	ZINC000491652404	332265221	/nfs/dbraw/zinc/26/52/21/332265221.db2.gz	AXNFKKVTXPNIMM-UHFFFAOYSA-N	-1	0	266.268	0.629	20	30		CCEDRM
N#CCCS(=O)(=O)[N-]C(=O)/C=C/c1cncc(F)c1	ZINC000493079547	332425622	/nfs/dbraw/zinc/42/56/22/332425622.db2.gz	DFFHUJFLTMUKSB-NSCUHMNNSA-N	-1	0	283.284	0.594	20	30		CCEDRM
CC[C@H](CCNS(=O)(=O)N(C)[C@@H](C)CC#N)C(=O)[O-]	ZINC000516575181	332601592	/nfs/dbraw/zinc/60/15/92/332601592.db2.gz	YJNYVZZNAHUEGW-VHSXEESVSA-N	-1	0	291.373	0.556	20	30		CCEDRM
C=C(C)CS(=O)(=O)NC1(CC(=O)[O-])CCOCC1	ZINC000575865701	335125488	/nfs/dbraw/zinc/12/54/88/335125488.db2.gz	OYBBHIDPZFRUTR-UHFFFAOYSA-N	-1	0	277.342	0.506	20	30		CCEDRM
C=CCC[C@@H](NC(=O)/C=C\c1ccnn1C)C(=O)[O-]	ZINC000316508926	333397378	/nfs/dbraw/zinc/39/73/78/333397378.db2.gz	SUVFDXZQTYHHFT-JMEBYUIHSA-N	-1	0	263.297	0.969	20	30		CCEDRM
C=CCSCCNS(=O)(=O)N1CCC[C@H]1C(=O)[O-]	ZINC000576036582	335144024	/nfs/dbraw/zinc/14/40/24/335144024.db2.gz	YNNKQHNZJNKWMY-VIFPVBQESA-N	-1	0	294.398	0.289	20	30		CCEDRM
C=C(C)CS(=O)(=O)N1CCN(C(C)(C)C(=O)[O-])CC1	ZINC000530140496	333525428	/nfs/dbraw/zinc/52/54/28/333525428.db2.gz	FYLWLZUANFLSQD-UHFFFAOYSA-N	-1	0	290.385	0.373	20	30		CCEDRM
C[C@@H](CCCC(=O)[O-])NS(=O)(=O)N(C)CCC#N	ZINC000547889083	334129027	/nfs/dbraw/zinc/12/90/27/334129027.db2.gz	PJAIKSHZUVLECO-VIFPVBQESA-N	-1	0	277.346	0.310	20	30		CCEDRM
C[C@H]1SC[C@H](C(=O)[O-])N1S(=O)(=O)CC1(C#N)CC1	ZINC000547892352	334129054	/nfs/dbraw/zinc/12/90/54/334129054.db2.gz	UHODKILTWUHQGJ-HTQZYQBOSA-N	-1	0	290.366	0.468	20	30		CCEDRM
C[C@H]1SC[C@H](C(=O)[O-])N1S(=O)(=O)CCCC#N	ZINC000548218783	334146740	/nfs/dbraw/zinc/14/67/40/334146740.db2.gz	DKFIPMIGXKAGSK-HTQZYQBOSA-N	-1	0	278.355	0.468	20	30		CCEDRM
CSCC[C@H](NS(=O)(=O)CCCC#N)C(=O)[O-]	ZINC000548572521	334162693	/nfs/dbraw/zinc/16/26/93/334162693.db2.gz	ODDZNLOEHSCFNU-QMMMGPOBSA-N	-1	0	280.371	0.416	20	30		CCEDRM
C[C@H](CCC(=O)[O-])NS(=O)(=O)CCCCC#N	ZINC000548594896	334163281	/nfs/dbraw/zinc/16/32/81/334163281.db2.gz	LMUGFYAHLQQBIE-SECBINFHSA-N	-1	0	262.331	0.853	20	30		CCEDRM
Cc1nc(=NC(=O)NCc2ccc(CC#N)cc2)[n-]n1C	ZINC000568628659	334833454	/nfs/dbraw/zinc/83/34/54/334833454.db2.gz	ZAUWXSBZKGBBSK-UHFFFAOYSA-N	-1	0	284.323	0.933	20	30		CCEDRM
N#Cc1c[n-]c(=O)n(CCCO[C@@H]2CCCCO2)c1=O	ZINC000573247685	334921335	/nfs/dbraw/zinc/92/13/35/334921335.db2.gz	FPGKTRJVIXKTLL-LLVKDONJSA-N	-1	0	279.296	0.342	20	30		CCEDRM
CC[C@H](CCNS(=O)(=O)CC1(C#N)CC1)C(=O)[O-]	ZINC000576713629	335238821	/nfs/dbraw/zinc/23/88/21/335238821.db2.gz	JZKOACHIJHQJKM-SECBINFHSA-N	-1	0	274.342	0.710	20	30		CCEDRM
C=CCCn1cc(C(=O)NC(C)(C)c2nnn[n-]2)nn1	ZINC000576862460	335256733	/nfs/dbraw/zinc/25/67/33/335256733.db2.gz	BXXDOBRRJNOAKE-UHFFFAOYSA-N	-1	0	276.304	0.032	20	30		CCEDRM
COc1c(C)cnc(Cn2c(=O)[n-]cc(C#N)c2=O)c1C	ZINC000576990195	335274715	/nfs/dbraw/zinc/27/47/15/335274715.db2.gz	QKUKBOFJJBWHTB-UHFFFAOYSA-N	-1	0	286.291	0.477	20	30		CCEDRM
C[C@@H](CC#N)N(C)S(=O)(=O)NC1(C(=O)[O-])CCCC1	ZINC000577164098	335312896	/nfs/dbraw/zinc/31/28/96/335312896.db2.gz	JDSZKAXGXFWUBU-VIFPVBQESA-N	-1	0	289.357	0.452	20	30		CCEDRM
N#CCCC1CCN(C(=O)C(=O)NCCCC(=O)[O-])CC1	ZINC000577610697	335377766	/nfs/dbraw/zinc/37/77/66/335377766.db2.gz	RNIXBPMZEOCGGI-UHFFFAOYSA-N	-1	0	295.339	0.510	20	30		CCEDRM
C=CCC[C@@H](NS(=O)(=O)c1ccn(C)n1)C(=O)[O-]	ZINC000578984845	335695760	/nfs/dbraw/zinc/69/57/60/335695760.db2.gz	LWLFOJKWNSIKPL-MRVPVSSYSA-N	-1	0	273.314	0.118	20	30		CCEDRM
N#Cc1c(C2CC2)[n-][nH]c1=NC(=O)c1c[nH]nc1[N+](=O)[O-]	ZINC000579276597	335730805	/nfs/dbraw/zinc/73/08/05/335730805.db2.gz	TXTGUVJQJKVPDJ-UHFFFAOYSA-N	-1	0	287.239	0.464	20	30		CCEDRM
O=C(N=c1cn[n-]s1)N1CCOC[C@@H]1[C@H]1CCC[C@@H]1O	ZINC000329032545	534331217	/nfs/dbraw/zinc/33/12/17/534331217.db2.gz	LTZCBWMELIDVLA-BBBLOLIVSA-N	-1	0	298.368	0.945	20	30		CCEDRM
COCC[C@@H](NC(=O)c1ccc(C#N)c(C)n1)C(=O)[O-]	ZINC000052784221	521851517	/nfs/dbraw/zinc/85/15/17/521851517.db2.gz	SBXZEUAYRYVPRP-LLVKDONJSA-N	-1	0	277.280	0.481	20	30		CCEDRM
CN(C)c1ncc([N-]S(=O)(=O)c2ccc(C#N)o2)cn1	ZINC000340945983	522355546	/nfs/dbraw/zinc/35/55/46/522355546.db2.gz	DTSSUGGGUQTYJF-UHFFFAOYSA-N	-1	0	293.308	0.808	20	30		CCEDRM
Cn1cccc(N/C([O-])=N/[C@H]2CCn3ccnc3C2)c1=O	ZINC000330236208	534779427	/nfs/dbraw/zinc/77/94/27/534779427.db2.gz	HFYRWQFAAWTNRS-JTQLQIEISA-N	-1	0	287.323	0.923	20	30		CCEDRM
CCCC(=O)N1CCC[C@H]1C(=O)NCc1n[nH]c(=O)[n-]1	ZINC000330044707	527905663	/nfs/dbraw/zinc/90/56/63/527905663.db2.gz	HSXCMVXXXOROMU-QMMMGPOBSA-N	-1	0	281.316	0.758	20	30		CCEDRM
CC(C)Oc1ccc(=NC(=O)NC[C@H]2COCCO2)[n-]n1	ZINC000329019684	528130700	/nfs/dbraw/zinc/13/07/00/528130700.db2.gz	HKENQBABWCNGHQ-JTQLQIEISA-N	-1	0	296.327	0.427	20	30		CCEDRM
C=CC[C@H](NS(=O)(=O)[C@@H](C)CCOC)C(=O)[O-]	ZINC000681559067	545456175	/nfs/dbraw/zinc/45/61/75/545456175.db2.gz	ZKIKQCGDODAZPO-IUCAKERBSA-N	-1	0	265.331	0.360	20	30		CCEDRM
C=CC[C@@H](NS(=O)(=O)CC[C@@H]1CCCO1)C(=O)[O-]	ZINC000681559019	545456260	/nfs/dbraw/zinc/45/62/60/545456260.db2.gz	XUHXQTFUXHSJIS-VHSXEESVSA-N	-1	0	277.342	0.504	20	30		CCEDRM
C[C@@H](NC(=O)[O-])[C@@H]1CCCCN1CC(=O)NCC#N	ZINC000739008202	581123648	/nfs/dbraw/zinc/12/36/48/581123648.db2.gz	IJZGEYDNYYQWPI-ZJUUUORDSA-N	-1	0	268.317	0.137	20	30		CCEDRM
C=CCS(=O)(=O)[N-]C(=O)Cc1cnn(CC)c1	ZINC000781527218	581271121	/nfs/dbraw/zinc/27/11/21/581271121.db2.gz	RYIHAZRKDQPGPI-UHFFFAOYSA-N	-1	0	257.315	0.078	20	30		CCEDRM
CNC(=O)C(C#N)=C([O-])c1ccnc(OCCOC)c1	ZINC000777304464	581112499	/nfs/dbraw/zinc/11/24/99/581112499.db2.gz	SWKCPXJLZRQIPG-JTQLQIEISA-N	-1	0	277.280	0.175	20	30		CCEDRM
C[C@@H]1CN=C(NN=Cc2cc([N+](=O)[O-])ccc2[O-])N1	ZINC000779803048	581114200	/nfs/dbraw/zinc/11/42/00/581114200.db2.gz	MVUNLATVKLRKMF-SSDOTTSWSA-N	-1	0	263.257	0.572	20	30		CCEDRM
Cn1cc(-c2cncc(C(=O)N(CC#N)CC(=O)[O-])c2)cn1	ZINC000739015616	581129594	/nfs/dbraw/zinc/12/95/94/581129594.db2.gz	MZYATYXSIXIVRA-UHFFFAOYSA-N	-1	0	299.290	0.532	20	30		CCEDRM
CC(C)(C#N)CS(=O)(=O)[N-]C(=O)[C@@]1(C)CCCO1	ZINC000776147230	581180867	/nfs/dbraw/zinc/18/08/67/581180867.db2.gz	XPNHVIDGNSJRCH-LLVKDONJSA-N	-1	0	274.342	0.551	20	30		CCEDRM
N#CCCCS(=O)(=O)[N-]C(=O)[C@@H]1[C@H]2CCCO[C@H]21	ZINC000780473996	581229971	/nfs/dbraw/zinc/22/99/71/581229971.db2.gz	PBHLZYRWLYPZMF-OPRDCNLKSA-N	-1	0	272.326	0.161	20	30		CCEDRM
C#CCCCCC(=O)[N-]S(=O)(=O)[C@@H]1CCCOC1	ZINC000780623140	581237493	/nfs/dbraw/zinc/23/74/93/581237493.db2.gz	FBYYVOVOIKQWQC-LLVKDONJSA-N	-1	0	273.354	0.805	20	30		CCEDRM
C=CCCOCC(=O)[N-]S(=O)(=O)c1ncccc1F	ZINC000791943672	581241552	/nfs/dbraw/zinc/24/15/52/581241552.db2.gz	POEHGKHDJBEDDP-UHFFFAOYSA-N	-1	0	288.300	0.618	20	30		CCEDRM
CC(C)(C)n1cc(C([O-])=C(C#N)C(=O)N2CCCC2)nn1	ZINC000791769325	581268075	/nfs/dbraw/zinc/26/80/75/581268075.db2.gz	LMDJMRVRPPACBB-JTQLQIEISA-N	-1	0	289.339	0.978	20	30		CCEDRM
CC[C@@H](NN=C1C(=O)Nc2ccc(F)cc21)C(=O)[O-]	ZINC000793055650	581282359	/nfs/dbraw/zinc/28/23/59/581282359.db2.gz	AYQQQZFJXIENQI-MRVPVSSYSA-N	-1	0	265.244	0.935	20	30		CCEDRM
CC[C@H](NN=C1C(=O)Nc2ccc([N+](=O)[O-])cc21)C(=O)[O-]	ZINC000793059107	581282816	/nfs/dbraw/zinc/28/28/16/581282816.db2.gz	YNLSUKBBGVQLFD-QMMMGPOBSA-N	-1	0	292.251	0.704	20	30		CCEDRM
CC[C@@H](NN=Cc1ccc(O)c(O)c1O)C(=O)[O-]	ZINC000793071744	581283313	/nfs/dbraw/zinc/28/33/13/581283313.db2.gz	GRZRWIODPVXFAF-SSDOTTSWSA-N	-1	0	254.242	0.590	20	30		CCEDRM
C[C@H](NN=Cc1cn(CC(=O)[O-])nn1)C(C)(C)C	ZINC000793111490	581284711	/nfs/dbraw/zinc/28/47/11/581284711.db2.gz	IEINZFVUCLAIBC-QMMMGPOBSA-N	-1	0	253.306	0.721	20	30		CCEDRM
CCOCC(=O)OCc1cc(=O)n2[n-]cc(C#N)c2n1	ZINC000782052210	581286286	/nfs/dbraw/zinc/28/62/86/581286286.db2.gz	JVKOMUNCMAZBKO-UHFFFAOYSA-N	-1	0	276.252	0.386	20	30		CCEDRM
N#CCCCS(=O)(=O)NC[C@H]1CCCN1C(=O)[O-]	ZINC000740308330	581323207	/nfs/dbraw/zinc/32/32/07/581323207.db2.gz	XPCVAUFVOGLCSY-SECBINFHSA-N	-1	0	275.330	0.352	20	30		CCEDRM
N#CCn1cc(NC(=O)[C@H]2CCC[C@@H]2NC(=O)[O-])cn1	ZINC000740310865	581323659	/nfs/dbraw/zinc/32/36/59/581323659.db2.gz	KOWLGNZYEXDUMJ-UWVGGRQHSA-N	-1	0	277.284	0.781	20	30		CCEDRM
C#CC(C)(C)NC(=O)CN(C[C@H]1CCCO1)C(=O)[O-]	ZINC000738457605	581331523	/nfs/dbraw/zinc/33/15/23/581331523.db2.gz	QLRSMWZZROGYBB-SNVBAGLBSA-N	-1	0	268.313	0.673	20	30		CCEDRM
C#CCN(CC)C(=O)NCCN(C(=O)[O-])C1CC1	ZINC000738462302	581333713	/nfs/dbraw/zinc/33/37/13/581333713.db2.gz	YOZACOODNJMGSI-UHFFFAOYSA-N	-1	0	253.302	0.794	20	30		CCEDRM
CO[C@H](C)C(=O)OCc1cc(=O)n2[n-]cc(C#N)c2n1	ZINC000783094645	581335671	/nfs/dbraw/zinc/33/56/71/581335671.db2.gz	CDEDPKIOEPALTG-SSDOTTSWSA-N	-1	0	276.252	0.385	20	30		CCEDRM
C#Cc1cccc(NC(=O)[C@@H]2C[C@@H](O)CN2C(=O)[O-])c1	ZINC000738468045	581341989	/nfs/dbraw/zinc/34/19/89/581341989.db2.gz	RMNDBOPZXMWJGC-NEPJUHHUSA-N	-1	0	274.276	0.720	20	30		CCEDRM
C#Cc1ccc(C(=O)N2CCC(NC(=O)[O-])CC2)cn1	ZINC000738470724	581344359	/nfs/dbraw/zinc/34/43/59/581344359.db2.gz	RRXAMDZIDPOBOS-UHFFFAOYSA-N	-1	0	273.292	0.935	20	30		CCEDRM
C=CCCCN(C)C(=O)[C@H]1COCCN1C(=O)[O-]	ZINC000738492250	581360862	/nfs/dbraw/zinc/36/08/62/581360862.db2.gz	CKZRVTBWKGQFIJ-SNVBAGLBSA-N	-1	0	256.302	0.790	20	30		CCEDRM
C=CCCO[C@H](C)C(=O)N1CC[C@@H](NC(=O)[O-])C1	ZINC000738493457	581361507	/nfs/dbraw/zinc/36/15/07/581361507.db2.gz	NZKKYDOACZSXDM-NXEZZACHSA-N	-1	0	256.302	0.836	20	30		CCEDRM
C=CCNC(=O)NC(=O)[C@@H](C)N1CCN(C(=O)[O-])[C@H](C)C1	ZINC000738494323	581361556	/nfs/dbraw/zinc/36/15/56/581361556.db2.gz	AJZIAMBQPVAUSZ-NXEZZACHSA-N	-1	0	298.343	0.071	20	30		CCEDRM
COc1cc(C=NN[C@@H](C)CO)ccc1OCCC(=O)[O-]	ZINC000783855079	581365816	/nfs/dbraw/zinc/36/58/16/581365816.db2.gz	GHQIGIHXSCXNSM-JTQLQIEISA-N	-1	0	296.323	0.853	20	30		CCEDRM
C[C@H]1C[C@H](C(=O)[N-]S(=O)(=O)CCCC#N)CO1	ZINC000784539596	581387387	/nfs/dbraw/zinc/38/73/87/581387387.db2.gz	GCJXWAXHASJCDB-IUCAKERBSA-N	-1	0	260.315	0.161	20	30		CCEDRM
C[C@@H]1C[C@H](C(=O)[N-]S(=O)(=O)CCCC#N)CO1	ZINC000784539594	581387557	/nfs/dbraw/zinc/38/75/57/581387557.db2.gz	GCJXWAXHASJCDB-BDAKNGLRSA-N	-1	0	260.315	0.161	20	30		CCEDRM
N#CCc1cccc(S(=O)(=O)NC/C=C\C(=O)[O-])c1	ZINC000794906407	581390434	/nfs/dbraw/zinc/39/04/34/581390434.db2.gz	JZXYRXOFPLYGLS-DJWKRKHSSA-N	-1	0	280.305	0.672	20	30		CCEDRM
C[C@@H](Oc1ccc(C=NOCC(N)=O)cc1)C(=O)[O-]	ZINC000794921103	581390944	/nfs/dbraw/zinc/39/09/44/581390944.db2.gz	BFAFLTLYSKZQIO-MRVPVSSYSA-N	-1	0	266.253	0.374	20	30		CCEDRM
N#Cc1cc(C(=O)[N-]S(=O)(=O)C[C@H]2CCCO2)ccn1	ZINC000796827772	581451666	/nfs/dbraw/zinc/45/16/66/581451666.db2.gz	JISDEMCCEJXJEB-LLVKDONJSA-N	-1	0	295.320	0.192	20	30		CCEDRM
N#CCc1cccc(C(=O)[N-]S(=O)(=O)c2cc[nH]n2)c1	ZINC000796869237	581452632	/nfs/dbraw/zinc/45/26/32/581452632.db2.gz	PQKJFBFNCUYSDV-UHFFFAOYSA-N	-1	0	290.304	0.594	20	30		CCEDRM
C[C@@H]1CN(C(=O)C2(C#N)CCOCC2)C[C@@H](C)N1C(=O)[O-]	ZINC000739125137	581508279	/nfs/dbraw/zinc/50/82/79/581508279.db2.gz	RPUMEYSABCBTMV-GHMZBOCLSA-N	-1	0	295.339	0.906	20	30		CCEDRM
C[C@H]1CN(C(=O)CSCC#N)C[C@H](C)N1C(=O)[O-]	ZINC000739133791	581510064	/nfs/dbraw/zinc/51/00/64/581510064.db2.gz	IRZSSYLMROZCCM-IUCAKERBSA-N	-1	0	271.342	0.842	20	30		CCEDRM
N#Cc1cccnc1NCCNC(=O)[C@H]1C[C@@H]1C(=O)[O-]	ZINC000739142554	581510825	/nfs/dbraw/zinc/51/08/25/581510825.db2.gz	PHLQZKRTNIWSFI-UWVGGRQHSA-N	-1	0	274.280	0.202	20	30		CCEDRM
N#Cc1csc(C(=O)N2CCO[C@@H](c3nnn[n-]3)C2)c1	ZINC000752625834	581511093	/nfs/dbraw/zinc/51/10/93/581511093.db2.gz	IFWCGIFZGGRHCZ-MRVPVSSYSA-N	-1	0	290.308	0.347	20	30		CCEDRM
C=CCCO[C@@H](C)C(=O)[N-]S(=O)(=O)[C@@H](C)COC	ZINC000733716254	581519042	/nfs/dbraw/zinc/51/90/42/581519042.db2.gz	PNFMKVYSOAZBCV-UWVGGRQHSA-N	-1	0	279.358	0.449	20	30		CCEDRM
C[C@@H]1CN(S(=O)(=O)CCCC#N)CC[C@@H]1NC(=O)[O-]	ZINC000739188556	581519867	/nfs/dbraw/zinc/51/98/67/581519867.db2.gz	GBGFAYFLUIEKBS-ZJUUUORDSA-N	-1	0	289.357	0.598	20	30		CCEDRM
CC[C@H](C#N)NC(=O)c1csc(CNC(=O)[O-])n1	ZINC000739208905	581523027	/nfs/dbraw/zinc/52/30/27/581523027.db2.gz	MFJNREXMYSWZJL-ZCFIWIBFSA-N	-1	0	268.298	0.943	20	30		CCEDRM
Cn1nccc1S(=O)(=O)[N-]C(=O)c1ccc(C#N)cc1	ZINC000765648216	581531205	/nfs/dbraw/zinc/53/12/05/581531205.db2.gz	DDRULNAPEKWACE-UHFFFAOYSA-N	-1	0	290.304	0.410	20	30		CCEDRM
C=CCOCCCC(=O)[N-]S(=O)(=O)c1ccnn1C	ZINC000765663212	581532324	/nfs/dbraw/zinc/53/23/24/581532324.db2.gz	RDUSPNBOOLUPCS-UHFFFAOYSA-N	-1	0	287.341	0.208	20	30		CCEDRM
COc1ncc(C([O-])=C(C#N)C(=O)NC(C)C)cn1	ZINC000734080529	581542906	/nfs/dbraw/zinc/54/29/06/581542906.db2.gz	UWVKVCXJWQYRRK-VIFPVBQESA-N	-1	0	262.269	0.332	20	30		CCEDRM
CC[C@H](NC(=O)[O-])C(=O)N(CCC#N)CCC#N	ZINC000739521773	581565029	/nfs/dbraw/zinc/56/50/29/581565029.db2.gz	UFKIUHCRWDZMMV-VIFPVBQESA-N	-1	0	252.274	0.689	20	30		CCEDRM
CN(C[C@H]1CCN(c2nccnc2C#N)C1)C(=O)[O-]	ZINC000739663977	581589382	/nfs/dbraw/zinc/58/93/82/581589382.db2.gz	OTIQWUUNSLETFA-SECBINFHSA-N	-1	0	261.285	0.784	20	30		CCEDRM
CN(CCCNC(=O)[O-])S(=O)(=O)c1ccc(C#N)cc1	ZINC000739678287	581591480	/nfs/dbraw/zinc/59/14/80/581591480.db2.gz	CKZUZKUPDZIUBF-UHFFFAOYSA-N	-1	0	297.336	0.836	20	30		CCEDRM
COC(=O)CN(CC#N)C(=O)CCC(C)(C)NC(=O)[O-]	ZINC000739759719	581611674	/nfs/dbraw/zinc/61/16/74/581611674.db2.gz	CRVZLUMSJRBNIQ-UHFFFAOYSA-N	-1	0	285.300	0.338	20	30		CCEDRM
C=CCOCC(=O)OCC(=O)NC(=O)c1ccccc1	ZINC000729766730	581614119	/nfs/dbraw/zinc/61/41/19/581614119.db2.gz	WEIWCFYXPGBQMK-UHFFFAOYSA-N	-1	0	277.276	0.689	20	30		CCEDRM
C=CCOCC(=O)[N-]S(=O)(=O)c1cccc(C#N)c1	ZINC000729886625	581618713	/nfs/dbraw/zinc/61/87/13/581618713.db2.gz	HNKYPLRNGXSUCQ-UHFFFAOYSA-N	-1	0	280.305	0.566	20	30		CCEDRM
COCCN(CC(=O)N(C)[C@@H](C)CC#N)C(=O)[O-]	ZINC000739811340	581622142	/nfs/dbraw/zinc/62/21/42/581622142.db2.gz	ATNODLIEKPYPEG-VIFPVBQESA-N	-1	0	257.290	0.373	20	30		CCEDRM
C#Cc1ccc(C(=O)N[C@@H](CCC)c2nnn[n-]2)cn1	ZINC000735389359	581642407	/nfs/dbraw/zinc/64/24/07/581642407.db2.gz	ARPWKEQGVKMGIA-NSHDSACASA-N	-1	0	270.296	0.847	20	30		CCEDRM
Cn1nnc2ccc(C([O-])=C(C#N)C(=O)N3CCCC3)cc21	ZINC000755600787	581648643	/nfs/dbraw/zinc/64/86/43/581648643.db2.gz	UEMRHIPPZQSASN-NSHDSACASA-N	-1	0	297.318	0.913	20	30		CCEDRM
C#CCCS(=O)(=O)[N-]C(=O)[C@H]1CCO[C@@H](C)C1	ZINC000788072590	581657949	/nfs/dbraw/zinc/65/79/49/581657949.db2.gz	WKYZTYMCULOHKT-UWVGGRQHSA-N	-1	0	259.327	0.271	20	30		CCEDRM
O=C([O-])Cn1cc(/C=C2\Oc3cc(O)ccc3C2=O)nn1	ZINC000768848231	581659047	/nfs/dbraw/zinc/65/90/47/581659047.db2.gz	MVYBXULRCQUMBP-JYOAFUTRSA-N	-1	0	287.231	0.685	20	30		CCEDRM
N#CCCCCNC(=O)N1CC[C@@H](CNC(=O)[O-])C1	ZINC000740306123	581662993	/nfs/dbraw/zinc/66/29/93/581662993.db2.gz	CHAKGVIBIIQMKW-JTQLQIEISA-N	-1	0	268.317	0.979	20	30		CCEDRM
N#C[C@@H]1COCCN1C(=O)CC1CCN(C(=O)[O-])CC1	ZINC000740308180	581663365	/nfs/dbraw/zinc/66/33/65/581663365.db2.gz	XCSAJNDFAHWYEM-LLVKDONJSA-N	-1	0	281.312	0.517	20	30		CCEDRM
N#CCN(C(=O)COCCNC(=O)[O-])C1CCCC1	ZINC000740309097	581663544	/nfs/dbraw/zinc/66/35/44/581663544.db2.gz	VXLBKMIOZKPUQO-UHFFFAOYSA-N	-1	0	269.301	0.565	20	30		CCEDRM
N#CCSCC(=O)N[C@H]1CCC[C@@H]1CNC(=O)[O-]	ZINC000740310104	581663883	/nfs/dbraw/zinc/66/38/83/581663883.db2.gz	FQILATVCYGPCPN-BDAKNGLRSA-N	-1	0	271.342	0.796	20	30		CCEDRM
N#C[C@H]1CN(C(=O)[C@H]2CCN(C(=O)[O-])C2)CCN1C1CC1	ZINC000740309713	581663959	/nfs/dbraw/zinc/66/39/59/581663959.db2.gz	MIHHHAOKULWBOL-JQWIXIFHSA-N	-1	0	292.339	0.185	20	30		CCEDRM
N#CC1CCN(C(=O)NCCCNC(=O)[O-])CC1	ZINC000740310296	581663992	/nfs/dbraw/zinc/66/39/92/581663992.db2.gz	RSQVXHZXUBJAEL-UHFFFAOYSA-N	-1	0	254.290	0.589	20	30		CCEDRM
N#Cc1ccc([C@@H](C(N)=O)N2CC[C@@H](NC(=O)[O-])C2)cc1	ZINC000740313576	581664483	/nfs/dbraw/zinc/66/44/83/581664483.db2.gz	USYIQZLUSBLVNY-NEPJUHHUSA-N	-1	0	288.307	0.427	20	30		CCEDRM
N#Cc1cccc(CS(=O)(=O)NCCNC(=O)[O-])c1	ZINC000740320454	581665053	/nfs/dbraw/zinc/66/50/53/581665053.db2.gz	QVJMMAJPNNEKMS-UHFFFAOYSA-N	-1	0	283.309	0.245	20	30		CCEDRM
C=CCCO[C@H](C)C(=O)N1CCCn2nc(C(=O)[O-])nc21	ZINC000736102288	581696088	/nfs/dbraw/zinc/69/60/88/581696088.db2.gz	FTVHPOFLNWNDPV-SECBINFHSA-N	-1	0	294.311	0.694	20	30		CCEDRM
CC(=O)NCCCCCC(=O)N(CC#N)CC(=O)[O-]	ZINC000736148165	581708300	/nfs/dbraw/zinc/70/83/00/581708300.db2.gz	MYXCCZGBUDSOMS-UHFFFAOYSA-N	-1	0	269.301	0.120	20	30		CCEDRM
C[C@](C#N)(NC(=O)COC(=O)[C@@H]1C[C@H]1C(=O)[O-])C1CC1	ZINC000736201067	581714106	/nfs/dbraw/zinc/71/41/06/581714106.db2.gz	FZWKJVSVBFTYRW-JRKPZEMJSA-N	-1	0	280.280	0.059	20	30		CCEDRM
C[C@H](C#N)CN(C)C(=O)Nc1ccn(CC(=O)[O-])n1	ZINC000736203867	581714996	/nfs/dbraw/zinc/71/49/96/581714996.db2.gz	WFDNYSZPYIKIJB-MRVPVSSYSA-N	-1	0	265.273	0.591	20	30		CCEDRM
CC(C)(C)n1cc(C(=O)C(=O)N(CC#N)CC(=O)[O-])cn1	ZINC000736305238	581734950	/nfs/dbraw/zinc/73/49/50/581734950.db2.gz	FVIRWKRCGQKWBZ-UHFFFAOYSA-N	-1	0	292.295	0.258	20	30		CCEDRM
Cc1c(C(=O)[N-]S(=O)(=O)CC2(C#N)CCC2)cnn1C	ZINC000771079633	581743242	/nfs/dbraw/zinc/74/32/42/581743242.db2.gz	VJYSXHQXAOFHDZ-UHFFFAOYSA-N	-1	0	296.352	0.482	20	30		CCEDRM
CC(C)[C@](C)(C#N)NC(=O)COC(=O)[C@H]1C[C@H]1C(=O)[O-]	ZINC000736348972	581748645	/nfs/dbraw/zinc/74/86/45/581748645.db2.gz	FBOPTYBGWPTGBB-ZDMBXUJBSA-N	-1	0	282.296	0.305	20	30		CCEDRM
CC(C)[C@H](NC(=O)[O-])C(=O)OCC(=O)N(C)C(C)(C)C#N	ZINC000736382409	581756811	/nfs/dbraw/zinc/75/68/11/581756811.db2.gz	OJNKNQMWVNSYIT-JTQLQIEISA-N	-1	0	299.327	0.582	20	30		CCEDRM
O=C([O-])Cn1cc(/C=C\C(=O)c2cccc(O)c2)nn1	ZINC000759075351	581781729	/nfs/dbraw/zinc/78/17/29/581781729.db2.gz	LFJUSYCVMGAPHI-PLNGDYQASA-N	-1	0	273.248	0.964	20	30		CCEDRM
COC[C@@H](C)CC(=O)[N-]S(=O)(=O)CC1(C#N)CCC1	ZINC000771075045	581789707	/nfs/dbraw/zinc/78/97/07/581789707.db2.gz	GNAITNVQGOFKQQ-JTQLQIEISA-N	-1	0	288.369	0.799	20	30		CCEDRM
C[C@@]1(C(=O)[N-]S(=O)(=O)CC2(C#N)CCC2)CCOC1	ZINC000771077915	581790276	/nfs/dbraw/zinc/79/02/76/581790276.db2.gz	WJIPJGPKBHTBSV-LLVKDONJSA-N	-1	0	286.353	0.553	20	30		CCEDRM
C[C@H](C(=O)Nc1cc(C#N)ccc1[O-])N1C(=O)CCC1=O	ZINC000759720355	581818091	/nfs/dbraw/zinc/81/80/91/581818091.db2.gz	AOUUUFZJNCXSRR-MRVPVSSYSA-N	-1	0	287.275	0.740	20	30		CCEDRM
CCC(=O)N1CCC[C@H](C(=O)N(CC#N)CC(=O)[O-])C1	ZINC000736836824	581850241	/nfs/dbraw/zinc/85/02/41/581850241.db2.gz	TUPIBVRDESNPKN-JTQLQIEISA-N	-1	0	281.312	0.072	20	30		CCEDRM
CC[C@H](C)[C@@H](NC(=O)CN(CC#N)C1CC1)C(=O)[O-]	ZINC000736880833	581863903	/nfs/dbraw/zinc/86/39/03/581863903.db2.gz	ZRMSHPCVJCGZDA-JOYOIKCWSA-N	-1	0	267.329	0.590	20	30		CCEDRM
C=CCS(=O)(=O)[N-]C(=O)CCc1ccccn1	ZINC000772718159	581886142	/nfs/dbraw/zinc/88/61/42/581886142.db2.gz	YIBRKGHQSNDMGS-UHFFFAOYSA-N	-1	0	254.311	0.646	20	30		CCEDRM
C=CCS(=O)(=O)[N-]C(=O)Cc1ccc(C#N)cc1	ZINC000772721086	581886685	/nfs/dbraw/zinc/88/66/85/581886685.db2.gz	CPNKXKFSTSVHOW-UHFFFAOYSA-N	-1	0	264.306	0.733	20	30		CCEDRM
C=CCS(=O)(=O)[N-]C(=O)CN1CCc2ccccc21	ZINC000772720592	581886836	/nfs/dbraw/zinc/88/68/36/581886836.db2.gz	PCJMBPMATKBPHD-UHFFFAOYSA-N	-1	0	280.349	0.681	20	30		CCEDRM
Cc1cc(C)n(CCn2c(N)nc(-c3nnn[n-]3)c2C#N)n1	ZINC000737257739	581927654	/nfs/dbraw/zinc/92/76/54/581927654.db2.gz	ZEFBODJXVQXLEB-UHFFFAOYSA-N	-1	0	298.314	0.031	20	30		CCEDRM
C=CCN(CC(=O)[O-])C(=O)[C@H]1CSCN1C(C)=O	ZINC000762069954	581930248	/nfs/dbraw/zinc/93/02/48/581930248.db2.gz	ZXJHMHGGXDLDGK-SECBINFHSA-N	-1	0	272.326	0.007	20	30		CCEDRM
CCOCCO[N-]C(=O)C(=O)Nc1cccc(C)c1C#N	ZINC000773633731	581936744	/nfs/dbraw/zinc/93/67/44/581936744.db2.gz	OZUAHUNCGDEEJM-UHFFFAOYSA-N	-1	0	291.307	0.890	20	30		CCEDRM
CC#CC[C@H](NS(=O)(=O)CCC(C)C)C(=O)[O-]	ZINC000274966841	581936951	/nfs/dbraw/zinc/93/69/51/581936951.db2.gz	IHDWIAQIANHDHP-JTQLQIEISA-N	-1	0	261.343	0.819	20	30		CCEDRM
CC#CC[C@H](NS(=O)(=O)CC1CCOCC1)C(=O)[O-]	ZINC000275085077	581937364	/nfs/dbraw/zinc/93/73/64/581937364.db2.gz	ZLBJYHWGHJKFQC-NSHDSACASA-N	-1	0	289.353	0.199	20	30		CCEDRM
C[C@@H]1COCC[C@H]1C(=O)[N-]S(=O)(=O)CC(C)(C)C#N	ZINC000774174079	581963085	/nfs/dbraw/zinc/96/30/85/581963085.db2.gz	NXPKEOWNBQCHDV-NXEZZACHSA-N	-1	0	288.369	0.655	20	30		CCEDRM
C[C@@H]1COCC[C@@H]1C(=O)[N-]S(=O)(=O)CC(C)(C)C#N	ZINC000774174083	581963271	/nfs/dbraw/zinc/96/32/71/581963271.db2.gz	NXPKEOWNBQCHDV-ZJUUUORDSA-N	-1	0	288.369	0.655	20	30		CCEDRM
N#Cc1ccc(C(=O)[N-]S(=O)(=O)C2CCC2)cn1	ZINC000774292837	581969025	/nfs/dbraw/zinc/96/90/25/581969025.db2.gz	MIXXTWYXHKCXEB-UHFFFAOYSA-N	-1	0	265.294	0.565	20	30		CCEDRM
C=CCn1nnn(CN(CC(=O)[O-])C2CC2)c1=S	ZINC000737537196	581975816	/nfs/dbraw/zinc/97/58/16/581975816.db2.gz	LWCRNGWSVVSOGV-UHFFFAOYSA-N	-1	0	269.330	0.502	20	30		CCEDRM
COC(=O)[C@@H](CC(=O)[O-])NC(=O)Cc1ccc(C#N)cc1	ZINC000737567125	581980886	/nfs/dbraw/zinc/98/08/86/581980886.db2.gz	OVQYQEXWVUHBGC-LLVKDONJSA-N	-1	0	290.275	0.233	20	30		CCEDRM
N#CCc1cccc(C(=O)OCc2n[nH]c(=O)[n-]2)c1	ZINC000774922632	582002960	/nfs/dbraw/zinc/00/29/60/582002960.db2.gz	BJMNVDGDJHKBBV-UHFFFAOYSA-N	-1	0	258.237	0.933	20	30		CCEDRM
CCOCCO[N-]C(=O)CNc1ccc(C#N)cn1	ZINC000775235300	582015308	/nfs/dbraw/zinc/01/53/08/582015308.db2.gz	LYCFFPAONAZPBN-UHFFFAOYSA-N	-1	0	264.285	0.449	20	30		CCEDRM
CN(C)c1ccnc(C(=O)Nc2nc(C#N)c(C#N)[n-]2)c1	ZINC000749724014	582019440	/nfs/dbraw/zinc/01/94/40/582019440.db2.gz	AJJOIEAKXNJZEI-UHFFFAOYSA-N	-1	0	281.279	0.866	20	30		CCEDRM
COC(C)(C)CCS(=O)(=O)[N-]C(=O)CSCC#N	ZINC000764336806	582042631	/nfs/dbraw/zinc/04/26/31/582042631.db2.gz	SWACVBWYJHIZRE-UHFFFAOYSA-N	-1	0	294.398	0.504	20	30		CCEDRM
N#C[C@H]1CN(C(=O)NC2CCN(C(=O)[O-])CC2)CCO1	ZINC000738421543	582047675	/nfs/dbraw/zinc/04/76/75/582047675.db2.gz	FPSHNPUSGOGEAG-JTQLQIEISA-N	-1	0	282.300	0.063	20	30		CCEDRM
N#Cc1ccc(C(=O)N2CCC[C@@H](C(=O)[O-])C2)cn1	ZINC000738431093	582048875	/nfs/dbraw/zinc/04/88/75/582048875.db2.gz	SSMMYTOBQMRREY-SNVBAGLBSA-N	-1	0	259.265	0.890	20	30		CCEDRM
N#Cc1cnn(-c2ccc(C(=O)NCC(=O)[O-])cc2)c1N	ZINC000738435574	582049465	/nfs/dbraw/zinc/04/94/65/582049465.db2.gz	PIYFJLNSIRFECY-UHFFFAOYSA-N	-1	0	285.263	0.141	20	30		CCEDRM
Cc1cc(C)n(CCC(=O)[N-]S(=O)(=O)CCCC#N)n1	ZINC000776116258	582052320	/nfs/dbraw/zinc/05/23/20/582052320.db2.gz	NFPUAXRULVLVLG-UHFFFAOYSA-N	-1	0	298.368	0.640	20	30		CCEDRM
C#CCCN1CCN(C(=O)[C@H]2CCN(C(=O)[O-])C2)CC1	ZINC000738456904	582052523	/nfs/dbraw/zinc/05/25/23/582052523.db2.gz	FFJGHGXMYZYWEL-LBPRGKRZSA-N	-1	0	279.340	0.154	20	30		CCEDRM
C#CCN1CCC[C@H]1C(=O)NC[C@@H]1CCCN1C(=O)[O-]	ZINC000738461473	582053064	/nfs/dbraw/zinc/05/30/64/582053064.db2.gz	SORVNBUBLBEUCK-RYUDHWBXSA-N	-1	0	279.340	0.343	20	30		CCEDRM
CCCn1cc(C(=O)[N-]S(=O)(=O)CC(C)(C)C#N)nn1	ZINC000776138197	582053565	/nfs/dbraw/zinc/05/35/65/582053565.db2.gz	GAYPGHJKAVAPOW-UHFFFAOYSA-N	-1	0	299.356	0.297	20	30		CCEDRM
CCCc1cc(C(=O)[N-]S(=O)(=O)CC(C)(C)C#N)[nH]n1	ZINC000776140516	582054118	/nfs/dbraw/zinc/05/41/18/582054118.db2.gz	AJIRJSGSUMNDPC-UHFFFAOYSA-N	-1	0	298.368	0.972	20	30		CCEDRM
C#Cc1ccc(C(=O)NCCCN(C)C(=O)[O-])nc1	ZINC000738468438	582054204	/nfs/dbraw/zinc/05/42/04/582054204.db2.gz	VZLANRFCSQOKRH-UHFFFAOYSA-N	-1	0	261.281	0.793	20	30		CCEDRM
C=CCN(CC=C)C(=O)COC(=O)[C@H]1CCN(C(=O)[O-])C1	ZINC000738489908	582055296	/nfs/dbraw/zinc/05/52/96/582055296.db2.gz	KWTCLVRTXGRUEF-NSHDSACASA-N	-1	0	296.323	0.730	20	30		CCEDRM
C=CCNC(=O)[C@H](C)OC(=O)[C@@H]1CCCN1C(=O)[O-]	ZINC000738494417	582055840	/nfs/dbraw/zinc/05/58/40/582055840.db2.gz	CBFYOVXDBQPRAE-IUCAKERBSA-N	-1	0	270.285	0.363	20	30		CCEDRM
C=CCOCC(=O)N1CCCC[C@H]1CNC(=O)[O-]	ZINC000738491178	582055855	/nfs/dbraw/zinc/05/58/55/582055855.db2.gz	IUXVHZCITQWPND-JTQLQIEISA-N	-1	0	256.302	0.838	20	30		CCEDRM
N#Cc1ccccc1S(=O)(=O)[N-]c1cnn(CCO)c1	ZINC000751272420	582074472	/nfs/dbraw/zinc/07/44/72/582074472.db2.gz	VIGJTWXQCYITRG-UHFFFAOYSA-N	-1	0	292.320	0.548	20	30		CCEDRM
C[C@H]1C[C@H](C(=O)[N-]S(=O)(=O)CC(C)(C)C#N)CCO1	ZINC000776561747	582077949	/nfs/dbraw/zinc/07/79/49/582077949.db2.gz	WXBTZMRXFNXRQM-VHSXEESVSA-N	-1	0	288.369	0.797	20	30		CCEDRM
Cc1nc(C(=O)N(CC#N)CC(=O)[O-])c2ccccn12	ZINC000738839664	582082201	/nfs/dbraw/zinc/08/22/01/582082201.db2.gz	RECDYSFGNONELR-UHFFFAOYSA-N	-1	0	272.264	0.693	20	30		CCEDRM
C#Cc1cccc(N(C)C(=O)c2cnc([O-])n(C)c2=O)c1	ZINC000751579427	582086373	/nfs/dbraw/zinc/08/63/73/582086373.db2.gz	MUZQJMYQSROKBY-UHFFFAOYSA-N	-1	0	283.287	0.744	20	30		CCEDRM
N#C[C@H](C(=O)[C@@H]1C[C@H]1C(=O)[O-])C(=O)N1CCCC1	ZINC000739073258	582100762	/nfs/dbraw/zinc/10/07/62/582100762.db2.gz	CCKVHDHQKRJXKN-IWSPIJDZSA-N	-1	0	250.254	0.038	20	30		CCEDRM
N#C[C@H](C(=O)[C@H]1C[C@H]1C(=O)[O-])c1nnc2n1CCCCC2	ZINC000739074977	582101309	/nfs/dbraw/zinc/10/13/09/582101309.db2.gz	ORUOCJGQBYFLIK-IVZWLZJFSA-N	-1	0	288.307	0.901	20	30		CCEDRM
N#CCN(CC(=O)[O-])S(=O)(=O)c1ccc([N+](=O)[O-])cc1	ZINC000739084971	582101800	/nfs/dbraw/zinc/10/18/00/582101800.db2.gz	ALSLWHOYJCVITF-UHFFFAOYSA-N	-1	0	299.264	0.194	20	30		CCEDRM
N#CCN1CCC(NC(=O)N2CC[C@@H](C(=O)[O-])C2)CC1	ZINC000739086459	582101873	/nfs/dbraw/zinc/10/18/73/582101873.db2.gz	RAMKGCHZYVVNCL-SNVBAGLBSA-N	-1	0	280.328	0.090	20	30		CCEDRM
N#CCc1cccc(C(=O)Nc2n[nH]c(CC(=O)[O-])n2)c1	ZINC000739090938	582102118	/nfs/dbraw/zinc/10/21/18/582102118.db2.gz	AVVRTVKFNJVKDO-UHFFFAOYSA-N	-1	0	285.263	0.750	20	30		CCEDRM
O=C([O-])Cn1cc(C=NN=c2[nH]c3ccccc3[nH]2)nn1	ZINC000768476184	582107112	/nfs/dbraw/zinc/10/71/12/582107112.db2.gz	IRCSOFJKQCGTME-UHFFFAOYSA-N	-1	0	285.267	0.685	20	30		CCEDRM
CC(C)C1N=NC(=S)N1N=Cc1cn(CC(=O)[O-])nn1	ZINC000768476342	582107116	/nfs/dbraw/zinc/10/71/16/582107116.db2.gz	MSTUMRHTSMTSAS-UHFFFAOYSA-N	-1	0	295.328	0.249	20	30		CCEDRM
O=C([O-])Cn1cc(CN=Nc2ncccc2[N+](=O)[O-])nn1	ZINC000768486241	582107300	/nfs/dbraw/zinc/10/73/00/582107300.db2.gz	YVJUEYKRFGUGOS-UHFFFAOYSA-N	-1	0	291.227	0.112	20	30		CCEDRM
C=C(C)CS(=O)(=O)N1CCC[C@](OC)(C(=O)[O-])C1	ZINC000871773524	613354045	/nfs/dbraw/zinc/35/40/45/613354045.db2.gz	XUJSCWJFMPCFEF-LLVKDONJSA-N	-1	0	277.342	0.458	20	30		CCEDRM
C#CCCCNC(=O)N(C)[C@@H](COC(C)C)C(=O)[O-]	ZINC000909026776	612981180	/nfs/dbraw/zinc/98/11/80/612981180.db2.gz	BJFKGDRQYSDAAW-NSHDSACASA-N	-1	0	270.329	0.919	20	30		CCEDRM
Cc1cc(OCC(=O)[O-])ccc1NCC(=O)NCC#N	ZINC000832902200	601391466	/nfs/dbraw/zinc/39/14/66/601391466.db2.gz	GQEVWNJYCRRHSN-UHFFFAOYSA-N	-1	0	277.280	0.510	20	30		CCEDRM
CC[C@H](C)[C@@H](NC(=O)CN(CC)CCC#N)C(=O)[O-]	ZINC000828707238	615684686	/nfs/dbraw/zinc/68/46/86/615684686.db2.gz	DVOUJWCKLASCQY-CMPLNLGQSA-N	-1	0	269.345	0.837	20	30		CCEDRM
COC[C@H](C#N)OC(=O)[C@]1(F)CCN(C(=O)[O-])C1	ZINC000833882014	617046965	/nfs/dbraw/zinc/04/69/65/617046965.db2.gz	HXNTWECUYVGTRP-XVKPBYJWSA-N	-1	0	260.221	0.160	20	30		CCEDRM
C#CCCCS(=O)(=O)[N-]c1ncc2c(n1)COC2	ZINC000872006121	612985535	/nfs/dbraw/zinc/98/55/35/612985535.db2.gz	OLONATVBVAYWBU-UHFFFAOYSA-N	-1	0	267.310	0.662	20	30		CCEDRM
N#Cc1ccsc1NC(=O)CN1CC[C@H](C(=O)[O-])C1	ZINC000062134582	597534493	/nfs/dbraw/zinc/53/44/93/597534493.db2.gz	JVOMGHGFYQDCDU-VIFPVBQESA-N	-1	0	279.321	0.965	20	30		CCEDRM
Cc1cc(NC(=O)[C@](C)(C#N)CC(=O)[O-])nn1C	ZINC000821008378	597603962	/nfs/dbraw/zinc/60/39/62/597603962.db2.gz	CIWQMKSEIXNCJG-NSHDSACASA-N	-1	0	250.258	0.672	20	30		CCEDRM
C[C@](C#N)(CC(=O)[O-])C(=O)Nc1ccc2nncn2c1	ZINC000819857329	597607989	/nfs/dbraw/zinc/60/79/89/597607989.db2.gz	VPHDOTQFHPOBRI-GFCCVEGCSA-N	-1	0	273.252	0.672	20	30		CCEDRM
Cc1ccnc(COC(=O)[C@@](C)(C#N)CC(=O)[O-])n1	ZINC000821131342	597621516	/nfs/dbraw/zinc/62/15/16/597621516.db2.gz	YSDQFQQSADPKCO-GFCCVEGCSA-N	-1	0	263.253	0.833	20	30		CCEDRM
C[C@H]1CCCCN1C(=O)COC(=O)[C@@](C)(C#N)CC(=O)[O-]	ZINC000820235674	597622409	/nfs/dbraw/zinc/62/24/09/597622409.db2.gz	RRONJAAQLOMWIS-IINYFYTJSA-N	-1	0	296.323	0.935	20	30		CCEDRM
C[C@@](C#N)(CC(=O)[O-])C(=O)NCC[C@@H]1CCCO1	ZINC000819834769	597631538	/nfs/dbraw/zinc/63/15/38/597631538.db2.gz	OZUWNRGWRQNAEB-CABZTGNLSA-N	-1	0	254.286	0.676	20	30		CCEDRM
Cn1nccc1CNC(=O)[C@](C)(C#N)CC(=O)[O-]	ZINC000821315032	597634262	/nfs/dbraw/zinc/63/42/62/597634262.db2.gz	GUWIKVANAVWTKN-NSHDSACASA-N	-1	0	250.258	0.041	20	30		CCEDRM
Cc1nccn1CCCNC(=O)[C@](C)(C#N)CC(=O)[O-]	ZINC000821197174	597636866	/nfs/dbraw/zinc/63/68/66/597636866.db2.gz	ZQOKODOLRDGBEE-ZDUSSCGKSA-N	-1	0	278.312	0.702	20	30		CCEDRM
C[C@@](C#N)(CC(=O)[O-])C(=O)N1CCC[C@@H]1Cn1cccn1	ZINC000819811522	597644020	/nfs/dbraw/zinc/64/40/20/597644020.db2.gz	QFNLHQYFTSZVJB-RISCZKNCSA-N	-1	0	290.323	0.879	20	30		CCEDRM
C[C@](C#N)(CC(=O)[O-])C(=O)NCc1cccc(CO)c1	ZINC000819843158	597644499	/nfs/dbraw/zinc/64/44/99/597644499.db2.gz	YPBRQVGGICUHRS-CQSZACIVSA-N	-1	0	276.292	0.800	20	30		CCEDRM
C[C@@H](O)CC(C)(C)CNC(=O)[C@@](C)(C#N)CC(=O)[O-]	ZINC000820162143	597650294	/nfs/dbraw/zinc/65/02/94/597650294.db2.gz	ZFXWVNABQPACKC-NOZJJQNGSA-N	-1	0	270.329	0.904	20	30		CCEDRM
C[C@@](C#N)(CC(=O)[O-])C(=O)N[C@H]1CCCc2c[nH]nc21	ZINC000819824131	597656531	/nfs/dbraw/zinc/65/65/31/597656531.db2.gz	XUILXRIUXWBZPT-ZANVPECISA-N	-1	0	276.296	0.908	20	30		CCEDRM
C[C@@](C#N)(CC(=O)[O-])C(=O)NC[C@@H]1CCCn2ccnc21	ZINC000819836040	597658913	/nfs/dbraw/zinc/65/89/13/597658913.db2.gz	ZWOURKBEEGTJNG-HZMBPMFUSA-N	-1	0	290.323	0.881	20	30		CCEDRM
C[C@@](C#N)(CC(=O)[O-])C(=O)N[C@H]1CC[C@H](O)CC1	ZINC000819846860	597669091	/nfs/dbraw/zinc/66/90/91/597669091.db2.gz	HHNMPVKTHVBHGZ-AUTRQRHGSA-N	-1	0	254.286	0.411	20	30		CCEDRM
Cc1cc2c(c(F)c1)NC(=O)C2=NNCCC(=O)[O-]	ZINC000820980635	597740298	/nfs/dbraw/zinc/74/02/98/597740298.db2.gz	ULPJDEUBCHHLNM-UHFFFAOYSA-N	-1	0	265.244	0.855	20	30		CCEDRM
O=C([O-])CCNN=Cc1nccn1CC(F)(F)F	ZINC000821524521	597742721	/nfs/dbraw/zinc/74/27/21/597742721.db2.gz	LJZNRMVVMIICDQ-UHFFFAOYSA-N	-1	0	264.207	0.844	20	30		CCEDRM
Cn1ccnc(N=NCc2cccc(C(=O)[O-])c2)c1=O	ZINC000814863547	598201473	/nfs/dbraw/zinc/20/14/73/598201473.db2.gz	RZUGYASYYHFTGO-UHFFFAOYSA-N	-1	0	272.264	0.925	20	30		CCEDRM
C[C@@](C#N)(CC(=O)[O-])C(=O)NCCOC1CCC1	ZINC000819842519	598228981	/nfs/dbraw/zinc/22/89/81/598228981.db2.gz	RCOAUJICIZHCAZ-LBPRGKRZSA-N	-1	0	254.286	0.676	20	30		CCEDRM
C#CCO[N-]C(=O)[C@@H](C)N1C(=O)[C@@H]2CCCC[C@@H]2C1=O	ZINC000812784988	612992436	/nfs/dbraw/zinc/99/24/36/612992436.db2.gz	BQLGVGVVZNXQRA-MXWKQRLJSA-N	-1	0	278.308	0.231	20	30		CCEDRM
N#Cc1ccc(C(=O)N2CCC(C(=O)[O-])CC2)nc1	ZINC000111280688	599740496	/nfs/dbraw/zinc/74/04/96/599740496.db2.gz	DICRGFWDOHLMHD-UHFFFAOYSA-N	-1	0	259.265	0.890	20	30		CCEDRM
C#CC(C)(C)NC(=O)C[C@H]1CN(C(=O)[O-])CCO1	ZINC000823440980	612945878	/nfs/dbraw/zinc/94/58/78/612945878.db2.gz	OMAXSYPTYPDOHJ-VIFPVBQESA-N	-1	0	254.286	0.283	20	30		CCEDRM
N#Cc1ccc(CNC(=O)N2CCO[C@@H](C(=O)[O-])C2)cc1	ZINC000051354859	600034142	/nfs/dbraw/zinc/03/41/42/600034142.db2.gz	XJOGXBIXKVMFEZ-GFCCVEGCSA-N	-1	0	289.291	0.553	20	30		CCEDRM
N#CCSCC(=O)NCc1ccc(C(=O)[O-])o1	ZINC000094554678	600479104	/nfs/dbraw/zinc/47/91/04/600479104.db2.gz	KXQCSXIXQBISGS-UHFFFAOYSA-N	-1	0	254.267	0.851	20	30		CCEDRM
N#Cc1cccc(Cn2nc(C(=O)[O-])ccc2=O)c1	ZINC000229615015	600518597	/nfs/dbraw/zinc/51/85/97/600518597.db2.gz	BUYWRZKLRBQFTB-UHFFFAOYSA-N	-1	0	255.233	0.861	20	30		CCEDRM
N#CCCN(CCC#N)S(=O)(=O)CCCC(=O)[O-]	ZINC000037225828	600577004	/nfs/dbraw/zinc/57/70/04/600577004.db2.gz	HJVGQBKROMKCHQ-UHFFFAOYSA-N	-1	0	273.314	0.310	20	30		CCEDRM
C#CCNC(=O)Nc1nc(CCC(=O)[O-])cs1	ZINC000825620276	612947505	/nfs/dbraw/zinc/94/75/05/612947505.db2.gz	ZFCZNKORSKQUPD-UHFFFAOYSA-N	-1	0	253.283	0.915	20	30		CCEDRM
N#C[C@@H]1CN(CC(=O)Nc2ccccc2C(=O)[O-])CCO1	ZINC000833063532	601003030	/nfs/dbraw/zinc/00/30/30/601003030.db2.gz	YJMPNLYYWQXPRF-SNVBAGLBSA-N	-1	0	289.291	0.548	20	30		CCEDRM
N#CCN(CC(=O)[O-])CC(=O)NCc1cccc(C#N)c1	ZINC000833066576	601003270	/nfs/dbraw/zinc/00/32/70/601003270.db2.gz	CWRYQZOJGSAUQE-UHFFFAOYSA-N	-1	0	286.291	0.085	20	30		CCEDRM
N#C[C@H]1COCCN1C(=O)c1ccc(OCC(=O)[O-])cc1	ZINC000833062924	601439881	/nfs/dbraw/zinc/43/98/81/601439881.db2.gz	RHMGSRXNDUXDKV-NSHDSACASA-N	-1	0	290.275	0.515	20	30		CCEDRM
COc1cc(C)cnc1C(=O)[N-]S(=O)(=O)CCC#N	ZINC000835408330	617177434	/nfs/dbraw/zinc/17/74/34/617177434.db2.gz	HRQAHUOREFUXIX-UHFFFAOYSA-N	-1	0	283.309	0.372	20	30		CCEDRM
N#Cc1c[nH]c(C(=O)N2CC[C@@](F)(C(=O)[O-])C2)c1	ZINC000833068309	601525473	/nfs/dbraw/zinc/52/54/73/601525473.db2.gz	UFCNTWQKSGLVBQ-NSHDSACASA-N	-1	0	251.217	0.525	20	30		CCEDRM
C[C@H]1CN(S(=O)(=O)CCCC#N)C[C@@H]1C(=O)[O-]	ZINC000828469924	601589063	/nfs/dbraw/zinc/58/90/63/601589063.db2.gz	DBCJOPFPSXAMAT-IUCAKERBSA-N	-1	0	260.315	0.272	20	30		CCEDRM
C[C@H]1CN(C(=O)c2ccc(C#N)cn2)C[C@H]1C(=O)[O-]	ZINC000104211918	601692397	/nfs/dbraw/zinc/69/23/97/601692397.db2.gz	RSRBUCOROINXDZ-WCBMZHEXSA-N	-1	0	259.265	0.746	20	30		CCEDRM
C#CCNC(=O)[C@@H](C)OC(=O)Cc1ccccc1C(=O)[O-]	ZINC000833365493	612948758	/nfs/dbraw/zinc/94/87/58/612948758.db2.gz	KTTBBRVWIOYZJA-SNVBAGLBSA-N	-1	0	289.287	0.608	20	30		CCEDRM
C[C@H](CS(=O)(=O)NCc1ccc(C#N)cc1)C(=O)[O-]	ZINC000827562592	601776680	/nfs/dbraw/zinc/77/66/80/601776680.db2.gz	CAARJWKCPNCYFN-SECBINFHSA-N	-1	0	282.321	0.698	20	30		CCEDRM
CC(C)CN(CCC#N)S(=O)(=O)C[C@H](C)C(=O)[O-]	ZINC000826870855	601787007	/nfs/dbraw/zinc/78/70/07/601787007.db2.gz	COFIAQPSNRGTSF-JTQLQIEISA-N	-1	0	276.358	0.909	20	30		CCEDRM
Cc1nn(Cc2noc(CCCC(=O)[O-])n2)c(N)c1C#N	ZINC000833020986	602126980	/nfs/dbraw/zinc/12/69/80/602126980.db2.gz	DPHZUPICPILYBR-UHFFFAOYSA-N	-1	0	290.283	0.484	20	30		CCEDRM
C#CCSCCNC(=O)N[C@]1(C(=O)[O-])CCSC1	ZINC000909052152	613017566	/nfs/dbraw/zinc/01/75/66/613017566.db2.gz	MCCHGQMTDXPUMH-LLVKDONJSA-N	-1	0	288.394	0.612	20	30		CCEDRM
CN(CCNC(=O)NCC#Cc1ccccc1)C(=O)[O-]	ZINC000739692994	602438415	/nfs/dbraw/zinc/43/84/15/602438415.db2.gz	FJNAGTZFIAKKIB-UHFFFAOYSA-N	-1	0	275.308	0.947	20	30		CCEDRM
Cc1cc(C(C#N)C(=O)CN(C)C(=O)[O-])nc(C)n1	ZINC000740059744	602622605	/nfs/dbraw/zinc/62/26/05/602622605.db2.gz	JUQLCDPODWZUSV-VIFPVBQESA-N	-1	0	262.269	0.880	20	30		CCEDRM
COc1cc(C=Nn2c(=O)[n-][nH]c2=O)c([N+](=O)[O-])cc1O	ZINC000814233651	617179519	/nfs/dbraw/zinc/17/95/19/617179519.db2.gz	ANLXVRCSPRHPNZ-UHFFFAOYSA-N	-1	0	295.211	0.194	20	30		CCEDRM
N#C[C@@H](NC(=O)C[C@@H]1CCCN1C(=O)[O-])C1CC1	ZINC000831070885	602895683	/nfs/dbraw/zinc/89/56/83/602895683.db2.gz	UKCQRWCTMMOOHS-VHSXEESVSA-N	-1	0	251.286	0.937	20	30		CCEDRM
C#CCNC(=O)[C@H](C)OC(=O)[C@@H]1CCC[C@@H](NC(=O)[O-])C1	ZINC000823455562	612951034	/nfs/dbraw/zinc/95/10/34/612951034.db2.gz	DWIDVQDESHFFDO-HBNTYKKESA-N	-1	0	296.323	0.494	20	30		CCEDRM
C[C@H]1CN(c2nccnc2C#N)CC[C@@H]1NC(=O)[O-]	ZINC000739195289	603403548	/nfs/dbraw/zinc/40/35/48/603403548.db2.gz	BZYXPFCLQQXYPU-IUCAKERBSA-N	-1	0	261.285	0.831	20	30		CCEDRM
Cn1cc(C#N)cc1C(=O)N[C@H](CNC(=O)[O-])C1CC1	ZINC000830984770	603519352	/nfs/dbraw/zinc/51/93/52/603519352.db2.gz	HPLJYJMKUMPJPA-SNVBAGLBSA-N	-1	0	276.296	0.673	20	30		CCEDRM
N#C[C@H]1CN(C(=O)[O-])CCN1C(=O)c1cc(C2CC2)n[nH]1	ZINC000831088162	603589796	/nfs/dbraw/zinc/58/97/96/603589796.db2.gz	ZBMZWQVZYRPZDW-VIFPVBQESA-N	-1	0	289.295	0.615	20	30		CCEDRM
N#Cc1ccc(C(=O)N2CCN(C(=O)[O-])C[C@@H]2C#N)nc1	ZINC000831122468	603598996	/nfs/dbraw/zinc/59/89/96/603598996.db2.gz	IOTZANAZDMLKFZ-JTQLQIEISA-N	-1	0	285.263	0.281	20	30		CCEDRM
CCN(CCC#N)CN1C[C@H]2CN(C(=O)[O-])CCN2C1=O	ZINC000827111738	603599955	/nfs/dbraw/zinc/59/99/55/603599955.db2.gz	RLHMXOOAQLOVDJ-LLVKDONJSA-N	-1	0	295.343	0.279	20	30		CCEDRM
C[C@H](C#N)NC(=O)[C@@H]1[C@H](C)OC(C)(C)N1C(=O)[O-]	ZINC000823647428	603699647	/nfs/dbraw/zinc/69/96/47/603699647.db2.gz	LGCCJUAPUGZDJQ-CSMHCCOUSA-N	-1	0	255.274	0.518	20	30		CCEDRM
N#Cc1c[nH]c(C(=O)O[C@@H]2CN(C(=O)[O-])CCC2=O)c1	ZINC000831114397	603800992	/nfs/dbraw/zinc/80/09/92/603800992.db2.gz	MZJZOYXPNADCEE-SNVBAGLBSA-N	-1	0	277.236	0.365	20	30		CCEDRM
N#CC1(NC(=O)CC2CN(C(=O)[O-])C2)CCOCC1	ZINC000831070976	603804089	/nfs/dbraw/zinc/80/40/89/603804089.db2.gz	WCUZQMRNKXKDPX-UHFFFAOYSA-N	-1	0	267.285	0.175	20	30		CCEDRM
N#Cc1cnn(C(=O)[C@@]2(F)CCN(C(=O)[O-])C2)c1N	ZINC000831161649	603862693	/nfs/dbraw/zinc/86/26/93/603862693.db2.gz	HPRPZOZQDCZFNE-SNVBAGLBSA-N	-1	0	267.220	0.069	20	30		CCEDRM
C[C@]1(C(=O)N2CCO[C@H](C#N)C2)CCN(C(=O)[O-])C1	ZINC000825657634	603929966	/nfs/dbraw/zinc/92/99/66/603929966.db2.gz	VCHBWLXFWGKQNH-SKDRFNHKSA-N	-1	0	267.285	0.127	20	30		CCEDRM
N#C[C@H]1CCC[C@@H]1NC(=O)CC1CN(C(=O)[O-])C1	ZINC000831077323	604030153	/nfs/dbraw/zinc/03/01/53/604030153.db2.gz	ZDVLVGXBZAHTOA-ZJUUUORDSA-N	-1	0	251.286	0.795	20	30		CCEDRM
N#Cc1ccccc1Cn1nnnc1CNC(=O)[O-]	ZINC000831152851	604032886	/nfs/dbraw/zinc/03/28/86/604032886.db2.gz	PJRSSQWMQBEWPF-UHFFFAOYSA-N	-1	0	258.241	0.361	20	30		CCEDRM
N#C[C@H](NC(=O)COCCNC(=O)[O-])C1CCCCC1	ZINC000831070486	604060447	/nfs/dbraw/zinc/06/04/47/604060447.db2.gz	LSXXAFSBPUBHNH-NSHDSACASA-N	-1	0	283.328	0.859	20	30		CCEDRM
N#C[C@H]1CN(C(=O)[O-])CCN1C(=O)CC1(O)CCCCC1	ZINC000831076502	604074178	/nfs/dbraw/zinc/07/41/78/604074178.db2.gz	NVDFSJBGIMEGGK-NSHDSACASA-N	-1	0	295.339	0.786	20	30		CCEDRM
N#C[C@@H]1CN(C(=O)[O-])CCN1C(=O)C(F)(F)C(F)F	ZINC000831076618	604080092	/nfs/dbraw/zinc/08/00/92/604080092.db2.gz	PRWZNCMCCWHNNZ-RXMQYKEDSA-N	-1	0	283.181	0.601	20	30		CCEDRM
N#C[C@@H]1CN(C(=O)[O-])CCN1C(=O)c1ccc(F)nc1	ZINC000831087531	604082587	/nfs/dbraw/zinc/08/25/87/604082587.db2.gz	MTXLCECBPPYQSY-SECBINFHSA-N	-1	0	278.243	0.549	20	30		CCEDRM
C#CCNC(=O)CNc1ccc2c(c1)CN(C(=O)[O-])CC2	ZINC000823456688	604214530	/nfs/dbraw/zinc/21/45/30/604214530.db2.gz	PFPTYKJWVCPNOP-UHFFFAOYSA-N	-1	0	287.319	0.884	20	30		CCEDRM
C[C@H](NC(=O)[O-])[C@@H]1CN(C[C@@H](C#N)CCC#N)CCO1	ZINC000825351873	604636267	/nfs/dbraw/zinc/63/62/67/604636267.db2.gz	QDYIZHUPFSQGOG-TUAOUCFPSA-N	-1	0	280.328	0.787	20	30		CCEDRM
N#CCN1CCC(OC(=O)[C@@H]2C[C@H]2C(=O)[O-])CC1	ZINC000833067791	604733927	/nfs/dbraw/zinc/73/39/27/604733927.db2.gz	ZZJLEZPHXZABCS-NXEZZACHSA-N	-1	0	252.270	0.238	20	30		CCEDRM
N#CC1(NC(=O)C[C@H]2CN(C(=O)[O-])CCO2)CCC1	ZINC000831070932	604776813	/nfs/dbraw/zinc/77/68/13/604776813.db2.gz	VFJWGTNYSVYBHU-VIFPVBQESA-N	-1	0	267.285	0.318	20	30		CCEDRM
CC(=NN=C(C)c1cnccn1)c1cn(CC(=O)[O-])nn1	ZINC000825798669	604786559	/nfs/dbraw/zinc/78/65/59/604786559.db2.gz	RKWMCUIDQZPPPO-UHFFFAOYSA-N	-1	0	287.283	0.386	20	30		CCEDRM
C[C@H](CC#N)N(C)C(=O)C[C@H]1CN(C(=O)[O-])CCO1	ZINC000824543478	604831969	/nfs/dbraw/zinc/83/19/69/604831969.db2.gz	ILIFWXSFCWYSMS-ZJUUUORDSA-N	-1	0	269.301	0.516	20	30		CCEDRM
C[C@@H](CC#N)N(C)CCc1cn(CC(=O)[O-])nn1	ZINC000833516418	604918531	/nfs/dbraw/zinc/91/85/31/604918531.db2.gz	VWLRXTYVLUYYON-VIFPVBQESA-N	-1	0	251.290	0.139	20	30		CCEDRM
C#CCNS(=O)(=O)Cc1ccccc1C(=O)[O-]	ZINC000833365914	605013812	/nfs/dbraw/zinc/01/38/12/605013812.db2.gz	XFEUIQGNTJGQOL-UHFFFAOYSA-N	-1	0	253.279	0.437	20	30		CCEDRM
C[C@@H](C(=O)[O-])n1cccc1C=NNCCS(C)(=O)=O	ZINC000833405350	605039655	/nfs/dbraw/zinc/03/96/55/605039655.db2.gz	DRMISYOAQKCPCI-VIFPVBQESA-N	-1	0	287.341	0.102	20	30		CCEDRM
CC(C)[C@@H](C#N)OC(=O)C[C@@H]1CN(C(=O)[O-])CCO1	ZINC000824056232	605070041	/nfs/dbraw/zinc/07/00/41/605070041.db2.gz	KPGDSCDOLHPNFV-NXEZZACHSA-N	-1	0	270.285	0.847	20	30		CCEDRM
N#CCN1CCC(OC(=O)[C@H]2CSCN2C(=O)[O-])CC1	ZINC000831102834	605269650	/nfs/dbraw/zinc/26/96/50/605269650.db2.gz	WAFISFYTBMHIST-SNVBAGLBSA-N	-1	0	299.352	0.570	20	30		CCEDRM
N#CCN1CCC(OC(=O)CCNC(=O)[O-])CC1	ZINC000831102539	605269758	/nfs/dbraw/zinc/26/97/58/605269758.db2.gz	MSCVXSBJLBSIIR-UHFFFAOYSA-N	-1	0	255.274	0.175	20	30		CCEDRM
C[C@@H](C#N)CNC(=O)C[C@H]1CSCCN1C(=O)[O-]	ZINC000823647786	605319057	/nfs/dbraw/zinc/31/90/57/605319057.db2.gz	NTVDBTZGHLMGQI-IUCAKERBSA-N	-1	0	271.342	0.748	20	30		CCEDRM
C#CCOCCNS(=O)(=O)c1ccc(C(=O)[O-])s1	ZINC000833366027	605417913	/nfs/dbraw/zinc/41/79/13/605417913.db2.gz	BXGWLOFSXMYERG-UHFFFAOYSA-N	-1	0	289.334	0.374	20	30		CCEDRM
N#Cc1cc(COC(=O)[C@H]2COCCN2C(=O)[O-])ccn1	ZINC000833970503	605652988	/nfs/dbraw/zinc/65/29/88/605652988.db2.gz	OVAGEHPRZWLPQZ-LLVKDONJSA-N	-1	0	291.263	0.375	20	30		CCEDRM
N#CCNC(=O)[C@H]1c2ccccc2CCN1C(=O)[O-]	ZINC000831102591	605682387	/nfs/dbraw/zinc/68/23/87/605682387.db2.gz	OELAKBNSOQQBHK-LLVKDONJSA-N	-1	0	259.265	0.904	20	30		CCEDRM
N#C[C@H]1CN(C(=O)CCCCNC(=O)[O-])CCO1	ZINC000833967562	605894543	/nfs/dbraw/zinc/89/45/43/605894543.db2.gz	RKILNYQKFLTGEG-VIFPVBQESA-N	-1	0	255.274	0.175	20	30		CCEDRM
N#CC1(C(=O)NC[C@@H](NC(=O)[O-])C2CC2)CCC1	ZINC000833964295	605913928	/nfs/dbraw/zinc/91/39/28/605913928.db2.gz	FEZUWRXJQJFLSQ-SECBINFHSA-N	-1	0	251.286	0.843	20	30		CCEDRM
N#C[C@@H]1COCCN1C(=O)[C@@H]1CC12CCN(C(=O)[O-])CC2	ZINC000833967203	605935823	/nfs/dbraw/zinc/93/58/23/605935823.db2.gz	QGQNBXJNVLHTKJ-MNOVXSKESA-N	-1	0	293.323	0.517	20	30		CCEDRM
N#C[C@@H]1CSCCN1C(=O)[C@H]1CC[C@H](NC(=O)[O-])C1	ZINC000833966310	605972855	/nfs/dbraw/zinc/97/28/55/605972855.db2.gz	KALJCLARFPNOST-LPEHRKFASA-N	-1	0	283.353	0.890	20	30		CCEDRM
N#C[C@H]1CSCCN1C(=O)[C@H](CC(F)F)NC(=O)[O-]	ZINC000833967370	605978636	/nfs/dbraw/zinc/97/86/36/605978636.db2.gz	QWGJJOOGXSQPHN-BQBZGAKWSA-N	-1	0	293.295	0.745	20	30		CCEDRM
N#C[C@@H](C(=O)CN(C(=O)[O-])C1CC1)C(=O)NC1CCCC1	ZINC000833960639	605982829	/nfs/dbraw/zinc/98/28/29/605982829.db2.gz	KFFXEIWGQIDIAU-NSHDSACASA-N	-1	0	293.323	0.896	20	30		CCEDRM
N#C[C@H]1CCC[C@H]1NC(=O)CN(C(=O)[O-])C1CC1	ZINC000833964055	605985038	/nfs/dbraw/zinc/98/50/38/605985038.db2.gz	YQXUEQFHGJYZSR-PSASIEDQSA-N	-1	0	251.286	0.937	20	30		CCEDRM
N#C[C@H]1CN(C(=O)[O-])CCN1C(=O)c1ccn(C(F)F)n1	ZINC000833965685	605997594	/nfs/dbraw/zinc/99/75/94/605997594.db2.gz	DCQVPCOUPIRAQT-ZETCQYMHSA-N	-1	0	299.237	0.606	20	30		CCEDRM
N#C[C@H]1CCC[C@H]1NC(=O)c1cnc(NC(=O)[O-])cn1	ZINC000833963949	606058498	/nfs/dbraw/zinc/05/84/98/606058498.db2.gz	XJFPPQZKVVKOEU-HTQZYQBOSA-N	-1	0	275.268	0.989	20	30		CCEDRM
C#CCCS(=O)(=O)[N-]C(=O)/C=C\[C@H]1CCCO1	ZINC000820894506	613052614	/nfs/dbraw/zinc/05/26/14/613052614.db2.gz	AOBYHJPKVFHOKQ-JYESYGNLSA-N	-1	0	257.311	0.191	20	30		CCEDRM
C#CCCS(=O)(=O)[N-]C(=O)c1ncccc1CC	ZINC000810779165	613053924	/nfs/dbraw/zinc/05/39/24/613053924.db2.gz	BHBSDTZPERDRFZ-UHFFFAOYSA-N	-1	0	266.322	0.727	20	30		CCEDRM
C#C[C@@H](C)N(C)C(=O)NCc1nc(C(F)(F)F)n[nH]1	ZINC000812201732	613079210	/nfs/dbraw/zinc/07/92/10/613079210.db2.gz	VZDYDGLHSVMAME-ZCFIWIBFSA-N	-1	0	275.234	0.987	20	30		CCEDRM
C#CCN(CC#C)C(=O)CCC(C)(C)NC(=O)[O-]	ZINC000823451407	613098504	/nfs/dbraw/zinc/09/85/04/613098504.db2.gz	UDIYGJNQSYNXOX-UHFFFAOYSA-N	-1	0	250.298	0.908	20	30		CCEDRM
CS(C)(=O)=NS(=O)(=O)[N-]CC1(C#N)CCC1	ZINC000867416165	617197540	/nfs/dbraw/zinc/19/75/40/617197540.db2.gz	PHGCESOTUPLIEX-UHFFFAOYSA-N	-1	0	265.360	0.242	20	30		CCEDRM
C#CCN(CC#CC)C(=O)NCCN(C(=O)[O-])C1CC1	ZINC000823451683	613099733	/nfs/dbraw/zinc/09/97/33/613099733.db2.gz	ZRLPACDMLOPVPY-UHFFFAOYSA-N	-1	0	277.324	0.797	20	30		CCEDRM
C#C[C@@H]1CCCN(C(=O)c2cc(C(=O)[O-])nn2C)C1	ZINC000911408167	613105557	/nfs/dbraw/zinc/10/55/57/613105557.db2.gz	AVKYANRASWEVFF-SECBINFHSA-N	-1	0	261.281	0.604	20	30		CCEDRM
COc1cc(O)c(C=Nn2c(=O)[n-][nH]c2=O)cc1OC	ZINC000814231638	617207405	/nfs/dbraw/zinc/20/74/05/617207405.db2.gz	KKXYEICTLLIZPA-UHFFFAOYSA-N	-1	0	280.240	0.294	20	30		CCEDRM
C#CCC(C)(C)C(=O)[N-]S(=O)(=O)N1CCCCC1	ZINC000810548244	612965966	/nfs/dbraw/zinc/96/59/66/612965966.db2.gz	UPPMGLXRQDFYCO-UHFFFAOYSA-N	-1	0	272.370	0.883	20	30		CCEDRM
C#CCCCCCC(=O)[N-]S(=O)(=O)CC(=O)OCC	ZINC000838847681	612976176	/nfs/dbraw/zinc/97/61/76/612976176.db2.gz	ZOPCEXGZBOXVHF-UHFFFAOYSA-N	-1	0	289.353	0.579	20	30		CCEDRM
C#CCOCCC(=O)N[C@@H](CCSC)c1nnn[n-]1	ZINC000912861560	612980264	/nfs/dbraw/zinc/98/02/64/612980264.db2.gz	PXGCMSZIUKTHRQ-VIFPVBQESA-N	-1	0	283.357	0.150	20	30		CCEDRM
C[C@@H](C(=O)N(C)CCC#N)N1CC[C@H](N(C)C(=O)[O-])C1	ZINC000823653604	617300500	/nfs/dbraw/zinc/30/05/00/617300500.db2.gz	CGYGZYZIYWBSSN-QWRGUYRKSA-N	-1	0	282.344	0.431	20	30		CCEDRM
C#CCCCCNC(=O)[C@@H]1C[C@@H](O)CN1C(=O)[O-]	ZINC000823440656	612978140	/nfs/dbraw/zinc/97/81/40/612978140.db2.gz	CZUHTOBPPGYXEF-ZJUUUORDSA-N	-1	0	254.286	0.019	20	30		CCEDRM
C#CCCCNC(=O)NCCN(C(=O)[O-])C1CC1	ZINC000823444541	612981651	/nfs/dbraw/zinc/98/16/51/612981651.db2.gz	LXKDSWQEHXUKRE-UHFFFAOYSA-N	-1	0	253.302	0.841	20	30		CCEDRM
C#CCOCCN=c1nn[n-]n1Cc1ccc(OC)cc1	ZINC000865675213	612985058	/nfs/dbraw/zinc/98/50/58/612985058.db2.gz	VZIRGBWBZFKQFZ-UHFFFAOYSA-N	-1	0	287.323	0.214	20	30		CCEDRM
C#CCOCCNC(=O)N1CC[C@@H](C(=O)[O-])[C@H](C)C1	ZINC000861455793	612986205	/nfs/dbraw/zinc/98/62/05/612986205.db2.gz	TVCHMVURLHMUOM-GHMZBOCLSA-N	-1	0	268.313	0.388	20	30		CCEDRM
C#CCOCCNC(=O)[C@H](C)S[C@H](C)C(=O)[O-]	ZINC000872857334	612988670	/nfs/dbraw/zinc/98/86/70/612988670.db2.gz	PHCKHQSDMQQYIE-DTWKUNHWSA-N	-1	0	259.327	0.347	20	30		CCEDRM
C#CCO[N-]C(=O)C1(C(=O)OC(C)(C)C)CCOCC1	ZINC000912450271	612991838	/nfs/dbraw/zinc/99/18/38/612991838.db2.gz	LEBAEFFADZZHMZ-UHFFFAOYSA-N	-1	0	283.324	0.806	20	30		CCEDRM
C#CCO[N-]C(=O)C(=O)NCCCc1ccccc1	ZINC000812783405	612991939	/nfs/dbraw/zinc/99/19/39/612991939.db2.gz	NMGSRCSRLCSNHE-UHFFFAOYSA-N	-1	0	260.293	0.416	20	30		CCEDRM
C#CCO[N-]C(=O)CN(C)c1ccccc1[N+](=O)[O-]	ZINC000812782464	612992060	/nfs/dbraw/zinc/99/20/60/612992060.db2.gz	ZTFTWWXPUTVOAK-UHFFFAOYSA-N	-1	0	263.253	0.712	20	30		CCEDRM
C#CCO[N-]C(=O)CSc1nnnn1CC(F)(F)F	ZINC000855602594	612992212	/nfs/dbraw/zinc/99/22/12/612992212.db2.gz	CZUJFFAPYWIRJK-UHFFFAOYSA-N	-1	0	295.246	0.009	20	30		CCEDRM
C#CCO[N-]C(=O)[C@@H](O)[C@H](C)c1ccccc1F	ZINC000869254532	612992283	/nfs/dbraw/zinc/99/22/83/612992283.db2.gz	QNOCSHFBPVIVKJ-SKDRFNHKSA-N	-1	0	251.257	0.971	20	30		CCEDRM
C#CCO[N-]C(=O)[C@@H](CC)Nc1c([N+](=O)[O-])c(C)nn1C	ZINC000812782104	612992528	/nfs/dbraw/zinc/99/25/28/612992528.db2.gz	MIXQBGOZTRHNNO-SECBINFHSA-N	-1	0	295.299	0.508	20	30		CCEDRM
C#CCO[N-]C(=O)[C@H](C)N1C(=O)[C@@H]2CCCC[C@H]2C1=O	ZINC000812784986	612993118	/nfs/dbraw/zinc/99/31/18/612993118.db2.gz	BQLGVGVVZNXQRA-HBNTYKKESA-N	-1	0	278.308	0.231	20	30		CCEDRM
C#CCO[N-]C(=O)[C@H](Cc1ccccc1)n1nnnc1C	ZINC000855603516	612993124	/nfs/dbraw/zinc/99/31/24/612993124.db2.gz	QFVNYBUBUDNCGE-ZDUSSCGKSA-N	-1	0	285.307	0.446	20	30		CCEDRM
C#CCO[N-]C(=O)c1c[nH]c2cc(OC)ccc2c1=O	ZINC000812786410	612993306	/nfs/dbraw/zinc/99/33/06/612993306.db2.gz	JFNXXZZUYSTYKL-UHFFFAOYSA-N	-1	0	272.260	0.831	20	30		CCEDRM
C#CCO[C@@H](C)C(=O)N1CCSC[C@H](C(=O)[O-])C1	ZINC000910147014	612995391	/nfs/dbraw/zinc/99/53/91/612995391.db2.gz	IJMNLDMFLYUNNY-VHSXEESVSA-N	-1	0	271.338	0.301	20	30		CCEDRM
C#CCO[C@@H](C)C(=O)N1C[C@@H](C(=O)[O-])[C@H](C2CC2)C1	ZINC000909902666	612995563	/nfs/dbraw/zinc/99/55/63/612995563.db2.gz	JFWFPKZFQJFZAP-ZMLRMANQSA-N	-1	0	265.309	0.594	20	30		CCEDRM
C#CCO[C@H](C)C(=O)NC[C@@H](CC(C)C)C(=O)[O-]	ZINC000909292466	613001520	/nfs/dbraw/zinc/00/15/20/613001520.db2.gz	VQFAFZVZTCEPHE-GHMZBOCLSA-N	-1	0	255.314	0.888	20	30		CCEDRM
C#CCO[C@H](C)C(=O)N[C@@H](C[C@@H]1CCCO1)C(=O)[O-]	ZINC000910590748	613002479	/nfs/dbraw/zinc/00/24/79/613002479.db2.gz	IYELKSGSNZLHEA-VWYCJHECSA-N	-1	0	269.297	0.163	20	30		CCEDRM
C#CCO[C@H](C)C(=O)N[C@H](c1nnn[n-]1)c1ccccc1	ZINC000913437827	613002509	/nfs/dbraw/zinc/00/25/09/613002509.db2.gz	OMVHBGAAKUFUHY-PWSUYJOCSA-N	-1	0	285.307	0.444	20	30		CCEDRM
C#CCO[C@H](C)C(=O)N[C@H](C[C@H]1CCCO1)C(=O)[O-]	ZINC000910590745	613003325	/nfs/dbraw/zinc/00/33/25/613003325.db2.gz	IYELKSGSNZLHEA-GMTAPVOTSA-N	-1	0	269.297	0.163	20	30		CCEDRM
C#CCO[C@H](C)C(=O)Nc1nc(CC(=O)[O-])cs1	ZINC000908582040	613003897	/nfs/dbraw/zinc/00/38/97/613003897.db2.gz	ONSVMBUAACFIGB-SSDOTTSWSA-N	-1	0	268.294	0.747	20	30		CCEDRM
C#CC[C@@H](CCOC)NC(=O)c1[nH]nc(C)c1[O-]	ZINC000863783745	613022368	/nfs/dbraw/zinc/02/23/68/613022368.db2.gz	AFLOBWKINQHPTF-VIFPVBQESA-N	-1	0	251.286	0.582	20	30		CCEDRM
C#CC[C@@H](CO)NC(=O)c1c(F)ccc(O)c1O	ZINC000857262099	613028669	/nfs/dbraw/zinc/02/86/69/613028669.db2.gz	BCKADVCPNRYLRS-ZETCQYMHSA-N	-1	0	253.229	0.351	20	30		CCEDRM
C#CC[C@@H](NC(=O)[C@@H]1C[C@H]1C1CCOCC1)C(=O)[O-]	ZINC000910048005	613040999	/nfs/dbraw/zinc/04/09/99/613040999.db2.gz	BQADUKJIACMGRT-QJPTWQEYSA-N	-1	0	265.309	0.642	20	30		CCEDRM
C#CC[C@@H](NC(=O)[C@H](OCC)C1CCOCC1)C(=O)[O-]	ZINC000910049013	613041252	/nfs/dbraw/zinc/04/12/52/613041252.db2.gz	QZNBWMNOLNAFBY-VXGBXAGGSA-N	-1	0	283.324	0.411	20	30		CCEDRM
C#CC[C@@H](NC(=O)[C@H]1Cc2cc(F)ccc2O1)C(=O)[O-]	ZINC000910055141	613041546	/nfs/dbraw/zinc/04/15/46/613041546.db2.gz	YGGMGCVVLYSMTN-ZYHUDNBSSA-N	-1	0	277.251	0.722	20	30		CCEDRM
C#CC[C@@H](NC(=O)c1c(C)ccnc1OCC)C(=O)[O-]	ZINC000910050836	613041558	/nfs/dbraw/zinc/04/15/58/613041558.db2.gz	OPZDEYBGHROMRC-SNVBAGLBSA-N	-1	0	276.292	0.995	20	30		CCEDRM
C#CC[C@@H](NC(=O)c1ccnn1CC1CCC1)C(=O)[O-]	ZINC000910049525	613041943	/nfs/dbraw/zinc/04/19/43/613041943.db2.gz	WLUPQILHRATBLA-LLVKDONJSA-N	-1	0	275.308	0.890	20	30		CCEDRM
C#CC[C@@H](NC(=O)c1cnn2c1C[C@@H](C)CC2)C(=O)[O-]	ZINC000910045741	613042429	/nfs/dbraw/zinc/04/24/29/613042429.db2.gz	GFENHCGEHSDBRZ-GXSJLCMTSA-N	-1	0	275.308	0.672	20	30		CCEDRM
C#CCCS(=O)(=O)[N-]C(=O)CCc1ccco1	ZINC000791111556	613052723	/nfs/dbraw/zinc/05/27/23/613052723.db2.gz	UGCPWFYODMKHJB-UHFFFAOYSA-N	-1	0	255.295	0.682	20	30		CCEDRM
C#CCCS(=O)(=O)[N-]C(=O)[C@@H]1C[C@H](C)O[C@H]1C	ZINC000870331739	613053117	/nfs/dbraw/zinc/05/31/17/613053117.db2.gz	PDVFYXJJUOJHEX-LPEHRKFASA-N	-1	0	259.327	0.269	20	30		CCEDRM
C#CCCS(=O)(=O)[N-]C(=O)[C@@H]1Cc2cccc(C)c2O1	ZINC000835370965	613053118	/nfs/dbraw/zinc/05/31/18/613053118.db2.gz	BVCGZIQAWCUFMR-LBPRGKRZSA-N	-1	0	293.344	0.768	20	30		CCEDRM
C#CCCS(=O)(=O)[N-]C(=O)[C@@H]1CCC(=O)c2cccn21	ZINC000810784421	613053141	/nfs/dbraw/zinc/05/31/41/613053141.db2.gz	DYDQTXVMJPNHDQ-NSHDSACASA-N	-1	0	294.332	0.475	20	30		CCEDRM
C#CCCS(=O)(=O)[N-]C(=O)[C@H](C)Oc1ccccn1	ZINC000835371149	613053400	/nfs/dbraw/zinc/05/34/00/613053400.db2.gz	FYHUCYGTQJDZTG-JTQLQIEISA-N	-1	0	282.321	0.318	20	30		CCEDRM
C#CCCS(=O)(=O)[N-]C(=O)c1c(Cl)cnn1CC	ZINC000857022371	613053408	/nfs/dbraw/zinc/05/34/08/613053408.db2.gz	ASYPJZGRPCWSCF-UHFFFAOYSA-N	-1	0	289.744	0.639	20	30		CCEDRM
C#CCCS(=O)(=O)[N-]C(=O)c1cc(C(C)(C)C)nn1C	ZINC000788071610	613053436	/nfs/dbraw/zinc/05/34/36/613053436.db2.gz	QDNOPISRNAAHIK-UHFFFAOYSA-N	-1	0	297.380	0.801	20	30		CCEDRM
C#CCCS(=O)(=O)[N-]C(=O)c1cccc(OC)c1F	ZINC000791111473	613053512	/nfs/dbraw/zinc/05/35/12/613053512.db2.gz	SNGWJROHBJIBFB-UHFFFAOYSA-N	-1	0	285.296	0.917	20	30		CCEDRM
C#CCCS(=O)(=O)[N-]C(=O)c1ccnn1CC(C)C	ZINC000842780881	613053733	/nfs/dbraw/zinc/05/37/33/613053733.db2.gz	UCMPYRRUVRFBGS-UHFFFAOYSA-N	-1	0	283.353	0.622	20	30		CCEDRM
C#CCCS(=O)(=O)[N-]C(=O)c1cncc(OC)c1C	ZINC000870330198	613053745	/nfs/dbraw/zinc/05/37/45/613053745.db2.gz	AIXDHCOSBWKQIS-UHFFFAOYSA-N	-1	0	282.321	0.482	20	30		CCEDRM
C#CCCS(=O)(=O)[N-]C(=O)c1ccccc1F	ZINC000791111753	613053893	/nfs/dbraw/zinc/05/38/93/613053893.db2.gz	XXOFFFPELNBFTE-UHFFFAOYSA-N	-1	0	255.270	0.909	20	30		CCEDRM
C#CCCS(=O)(=O)[N-]C(=O)c1nc2c(s1)CCC2	ZINC000842345194	613053941	/nfs/dbraw/zinc/05/39/41/613053941.db2.gz	CQANGGVJZWSLJG-UHFFFAOYSA-N	-1	0	284.362	0.715	20	30		CCEDRM
C#CC[C@H](CO)NC(=O)c1n[n-]c2ccccc2c1=O	ZINC000816671075	613058311	/nfs/dbraw/zinc/05/83/11/613058311.db2.gz	MVVAUEQGIAFPJJ-SECBINFHSA-N	-1	0	271.276	0.449	20	30		CCEDRM
C#CCC[C@H](O)CNC(=O)c1ccc([N+](=O)[O-])c([O-])c1	ZINC000799076073	613063484	/nfs/dbraw/zinc/06/34/84/613063484.db2.gz	QUQPCIVNXYULOG-JTQLQIEISA-N	-1	0	278.264	0.805	20	30		CCEDRM
C#CC[C@H](NC(=O)/C=C\C1CCOCC1)C(=O)[O-]	ZINC000910054528	613067417	/nfs/dbraw/zinc/06/74/17/613067417.db2.gz	PIKFLISYQZSODH-WYGGZMRJSA-N	-1	0	251.282	0.562	20	30		CCEDRM
C#CC[C@H](NC(=O)/C=C/C1(C)CCOCC1)C(=O)[O-]	ZINC000910050326	613067480	/nfs/dbraw/zinc/06/74/80/613067480.db2.gz	HYPXIELCSKIBAF-QRGHLMKCSA-N	-1	0	265.309	0.952	20	30		CCEDRM
C#CC[C@H](NC(=O)[C@H]1CCc2n[nH]cc2C1)C(=O)[O-]	ZINC000910050125	613069800	/nfs/dbraw/zinc/06/98/00/613069800.db2.gz	FQTKTNPKISJDTN-KWQFWETISA-N	-1	0	261.281	0.107	20	30		CCEDRM
C#CCN(C(=O)c1c[n-]n2c1nccc2=O)C(C)C	ZINC000928624735	613070491	/nfs/dbraw/zinc/07/04/91/613070491.db2.gz	LIGRGIMSJUQKQE-UHFFFAOYSA-N	-1	0	258.281	0.506	20	30		CCEDRM
C#CC[C@H](NC(=O)c1cnc2n1CCCC2)C(=O)[O-]	ZINC000910049050	613070608	/nfs/dbraw/zinc/07/06/08/613070608.db2.gz	RXIQZQKBVMPANU-VIFPVBQESA-N	-1	0	261.281	0.426	20	30		CCEDRM
C#CC[C@H](NC(=O)c1cncnc1C1CC1)C(=O)[O-]	ZINC000910050878	613070642	/nfs/dbraw/zinc/07/06/42/613070642.db2.gz	PHGZQLBQGOQGJH-JTQLQIEISA-N	-1	0	259.265	0.560	20	30		CCEDRM
C#CC[C@H](NC(=O)c1scnc1COC)C(=O)[O-]	ZINC000910049941	613070869	/nfs/dbraw/zinc/07/08/69/613070869.db2.gz	AOURGFVCKGDTRG-ZETCQYMHSA-N	-1	0	268.294	0.496	20	30		CCEDRM
C#CC[C@H]([N-]S(=O)(=O)C[C@@]1(C)CC1(F)F)C(=O)OC	ZINC000882251129	613071108	/nfs/dbraw/zinc/07/11/08/613071108.db2.gz	GGHKYHNMQCCZJN-WCBMZHEXSA-N	-1	0	295.307	0.516	20	30		CCEDRM
C#CC[C@H]1CCCN(C(=O)Cn2cc(C(=O)[O-])cn2)C1	ZINC000864156857	613072079	/nfs/dbraw/zinc/07/20/79/613072079.db2.gz	RZXWOKITQXJAOG-NSHDSACASA-N	-1	0	275.308	0.843	20	30		CCEDRM
C#C[C@@H](C)NC(=O)N1CCC[C@H](c2n[nH]c(=O)[n-]2)C1	ZINC000923218662	613080483	/nfs/dbraw/zinc/08/04/83/613080483.db2.gz	WONWVUHJVHCZQR-BDAKNGLRSA-N	-1	0	263.301	0.421	20	30		CCEDRM
C#C[C@@H](C)OC(=O)c1cn(C2CCN(C(=O)[O-])CC2)nn1	ZINC000823440574	613082593	/nfs/dbraw/zinc/08/25/93/613082593.db2.gz	AAZJOAMHPSDHGL-SECBINFHSA-N	-1	0	292.295	0.772	20	30		CCEDRM
C#C[C@@H](NC(=O)C12CC(C(=O)[O-])(C1)C2)C1CCOCC1	ZINC000911794681	613091609	/nfs/dbraw/zinc/09/16/09/613091609.db2.gz	ZRBHQAONIODKSB-VCANKDNSSA-N	-1	0	277.320	0.786	20	30		CCEDRM
C#C[C@@H](NC(=O)c1cc(C(=O)[O-])co1)[C@H]1CCCO1	ZINC000911577938	613098708	/nfs/dbraw/zinc/09/87/08/613098708.db2.gz	GDBXITAZIDDDKX-NXEZZACHSA-N	-1	0	263.249	0.888	20	30		CCEDRM
C#C[C@@H](NC(=O)c1c[n-]n2c1nccc2=O)C(C)C	ZINC000857212860	613099411	/nfs/dbraw/zinc/09/94/11/613099411.db2.gz	ZASKFJBCIXWBGY-SNVBAGLBSA-N	-1	0	258.281	0.410	20	30		CCEDRM
C#CCN(CC#CC)C(=O)[C@@H]1[C@@H]2C=C[C@@H](C2)[C@@H]1C(=O)[O-]	ZINC000887306507	613100267	/nfs/dbraw/zinc/10/02/67/613100267.db2.gz	UJIGSLNEOODAQL-RQJABVFESA-N	-1	0	271.316	0.994	20	30		CCEDRM
C#CCN(CC#CC)S(=O)(=O)CC1(CC(=O)[O-])CC1	ZINC000825614077	613100482	/nfs/dbraw/zinc/10/04/82/613100482.db2.gz	DALYSTVUCYIAOI-UHFFFAOYSA-N	-1	0	283.349	0.530	20	30		CCEDRM
C#CCN(CC(=O)[O-])S(=O)(=O)CCc1cccc(F)c1	ZINC000926488170	613103640	/nfs/dbraw/zinc/10/36/40/613103640.db2.gz	VZBCCBXLUAXQCH-UHFFFAOYSA-N	-1	0	299.323	0.718	20	30		CCEDRM
C#CCN(CC(=O)[O-])S(=O)(=O)c1ccccc1CC	ZINC000849219092	613103946	/nfs/dbraw/zinc/10/39/46/613103946.db2.gz	GSKZGJFWQNMXTL-UHFFFAOYSA-N	-1	0	281.333	0.958	20	30		CCEDRM
C#CCN(CC)S(=O)(=O)c1csnc1C(=O)[O-]	ZINC000825614415	613107302	/nfs/dbraw/zinc/10/73/02/613107302.db2.gz	NNDNTMZXHQVAFT-UHFFFAOYSA-N	-1	0	274.323	0.485	20	30		CCEDRM
C#C[C@H]1CC[C@H](NC(=O)CCCc2nnn[n-]2)CC1	ZINC000874859219	613107369	/nfs/dbraw/zinc/10/73/69/613107369.db2.gz	ILTMFLIZUCTQRE-XYPYZODXSA-N	-1	0	261.329	0.831	20	30		CCEDRM
C#C[C@H](C)NS(=O)(=O)N=S(=O)(CC)CC	ZINC000867199153	613118962	/nfs/dbraw/zinc/11/89/62/613118962.db2.gz	VLZLYADAPNRTID-QMMMGPOBSA-N	-1	0	252.361	0.350	20	30		CCEDRM
C#C[C@H](NC(=O)NCC(=O)[N-]OCC)c1ccccc1	ZINC000845537834	613139174	/nfs/dbraw/zinc/13/91/74/613139174.db2.gz	ZYWWJHCBRSZZJF-LBPRGKRZSA-N	-1	0	275.308	0.728	20	30		CCEDRM
C#C[C@H](NS(=O)(=O)c1cc([O-])cc(F)c1)[C@@H]1CCCO1	ZINC000867125820	613152300	/nfs/dbraw/zinc/15/23/00/613152300.db2.gz	ZHZPLJHPOXMQAR-STQMWFEESA-N	-1	0	299.323	0.990	20	30		CCEDRM
C#CCN1CCC[C@H]1C(=O)N[C@H](CCC)C(=O)[O-]	ZINC000833364007	613202096	/nfs/dbraw/zinc/20/20/96/613202096.db2.gz	COKHARZRGMGJPP-MNOVXSKESA-N	-1	0	252.314	0.454	20	30		CCEDRM
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C=CCCO[C@@H](C)C(=O)N1CCC[C@@H]1C(=O)NCC(=O)[O-]	ZINC000910762335	613577747	/nfs/dbraw/zinc/57/77/47/613577747.db2.gz	RVBGMURCWKRFHR-WDEREUQCSA-N	-1	0	298.339	0.159	20	30		CCEDRM
C=CCCS(=O)(=O)NC[C@H]1CCCN(C(=O)[O-])C1	ZINC000823500371	613581522	/nfs/dbraw/zinc/58/15/22/613581522.db2.gz	DOGBGQYYYPXSPZ-SNVBAGLBSA-N	-1	0	276.358	0.872	20	30		CCEDRM
C=CCCSCCNC(=O)N=c1nn[n-]n1CC	ZINC000888322697	613582612	/nfs/dbraw/zinc/58/26/12/613582612.db2.gz	LEBOYOXKTHQJFS-UHFFFAOYSA-N	-1	0	270.362	0.546	20	30		CCEDRM
C=CCC[C@@H](NC(=O)/C=C(\C)CN1CCOCC1)C(=O)[O-]	ZINC000909713789	613584481	/nfs/dbraw/zinc/58/44/81/613584481.db2.gz	SAJWWDZZIAZWEF-RSKUSDAESA-N	-1	0	296.367	0.801	20	30		CCEDRM
C=CCC[C@H](NC(=O)C1(O)CCSCC1)C(=O)[O-]	ZINC000909711606	613589520	/nfs/dbraw/zinc/58/95/20/613589520.db2.gz	CRPHXSPKKXIUJB-VIFPVBQESA-N	-1	0	273.354	0.780	20	30		CCEDRM
C=CCC[C@H](NC(=O)[C@H]1C[C@@]12CCOC2)C(=O)[O-]	ZINC000909715579	613589934	/nfs/dbraw/zinc/58/99/34/613589934.db2.gz	NAXIZYNPAMUPOF-GBIKHYSHSA-N	-1	0	253.298	0.949	20	30		CCEDRM
C=CCC[C@H](NC(=O)c1cn(CCC)nn1)C(=O)[O-]	ZINC000909713545	613590585	/nfs/dbraw/zinc/59/05/85/613590585.db2.gz	RJAAUZYKXMNYER-VIFPVBQESA-N	-1	0	266.301	0.837	20	30		CCEDRM
C=CCCn1cc(C(=O)N2CC[C@](F)(C(=O)[O-])C2)nn1	ZINC000819925250	613593983	/nfs/dbraw/zinc/59/39/83/613593983.db2.gz	VJDDDMPSYBINKL-GFCCVEGCSA-N	-1	0	282.275	0.493	20	30		CCEDRM
C=CCN(C(=O)C(=O)NCCCC(=O)[O-])C(C)C	ZINC000843260427	613602752	/nfs/dbraw/zinc/60/27/52/613602752.db2.gz	XQZUGCXHBFVTOQ-UHFFFAOYSA-N	-1	0	256.302	0.390	20	30		CCEDRM
C=CCN(C(=O)CCCn1c(=O)[n-][nH]c1=O)C1CC1	ZINC000907212090	613604468	/nfs/dbraw/zinc/60/44/68/613604468.db2.gz	PSCRXCXZKITXFX-UHFFFAOYSA-N	-1	0	266.301	0.647	20	30		CCEDRM
C=CCN(C(=O)Cn1ccc(C(=O)[O-])n1)[C@@H](C)COC	ZINC000909952923	613605464	/nfs/dbraw/zinc/60/54/64/613605464.db2.gz	BWUGWLWLAYHWNV-JTQLQIEISA-N	-1	0	281.312	0.631	20	30		CCEDRM
CC#CCS(=O)(=O)[N-]C(=O)[C@@H](C)[C@@H](C)COC	ZINC000813094404	613646268	/nfs/dbraw/zinc/64/62/68/613646268.db2.gz	LDPSKJCDGFRHCM-UWVGGRQHSA-N	-1	0	261.343	0.374	20	30		CCEDRM
C=CCN(CC(=O)[O-])C(=O)NCCn1cnnc1CC	ZINC000797729644	613642457	/nfs/dbraw/zinc/64/24/57/613642457.db2.gz	RQPYCDGWBZLGCW-UHFFFAOYSA-N	-1	0	281.316	0.123	20	30		CCEDRM
C=CCN(CC(=O)[O-])C(=O)NC[C@@H](C)CN1CCOCC1	ZINC000908913285	613642485	/nfs/dbraw/zinc/64/24/85/613642485.db2.gz	HAEZKBDNSVHZLD-GFCCVEGCSA-N	-1	0	299.371	0.237	20	30		CCEDRM
C=CCN(CC(=O)[O-])C(=O)C[C@@H]1CCOC[C@H]1OCC	ZINC000864136345	613642754	/nfs/dbraw/zinc/64/27/54/613642754.db2.gz	XKMNZJHATQQHGI-NWDGAFQWSA-N	-1	0	285.340	0.917	20	30		CCEDRM
C=CCN(CC(=O)[O-])C(=O)[C@H](O)c1cccnc1	ZINC000909515460	613643058	/nfs/dbraw/zinc/64/30/58/613643058.db2.gz	SUTZLRMOTWUUCH-LLVKDONJSA-N	-1	0	250.254	0.214	20	30		CCEDRM
C=CCN(CC(=O)[O-])C(=O)[C@@H](OC)[C@H]1CCOC1	ZINC000851603307	613643279	/nfs/dbraw/zinc/64/32/79/613643279.db2.gz	NVGQEYNURNJPFD-ONGXEEELSA-N	-1	0	257.286	0.137	20	30		CCEDRM
C=CCN(CC(=O)OCC)C(=O)[C@H](C)CC(=O)[O-]	ZINC000825676121	613644812	/nfs/dbraw/zinc/64/48/12/613644812.db2.gz	VONXXWXBFOVJHS-SECBINFHSA-N	-1	0	257.286	0.675	20	30		CCEDRM
CC#CCS(=O)(=O)[N-]C(=O)C[C@H](C)n1nc(C)cc1C	ZINC000810771156	613646129	/nfs/dbraw/zinc/64/61/29/613646129.db2.gz	HEPZEKAUDCHFIR-LBPRGKRZSA-N	-1	0	297.380	0.920	20	30		CCEDRM
CC#CCS(=O)(=O)[N-]C(=O)Cc1ccc2c(c1)OCO2	ZINC000788070913	613646285	/nfs/dbraw/zinc/64/62/85/613646285.db2.gz	MTDBVNPAIWTSIS-UHFFFAOYSA-N	-1	0	295.316	0.427	20	30		CCEDRM
CC#CCS(=O)(=O)[N-]C(=O)[C@H](C)Cn1ccc(C)n1	ZINC000870332136	613647036	/nfs/dbraw/zinc/64/70/36/613647036.db2.gz	SJQOMYRIFQVMCW-SNVBAGLBSA-N	-1	0	283.353	0.297	20	30		CCEDRM
CC#CCS(=O)(=O)[N-]C(=O)c1cc(CC)n[nH]1	ZINC000810778504	613647409	/nfs/dbraw/zinc/64/74/09/613647409.db2.gz	BCEWVSVBXVNSPL-UHFFFAOYSA-N	-1	0	255.299	0.055	20	30		CCEDRM
CC#CCS(=O)(=O)[N-]C(=O)c1cc(C)c(C#N)cn1	ZINC000838871125	613647488	/nfs/dbraw/zinc/64/74/88/613647488.db2.gz	KWLTYSWNCJERDA-UHFFFAOYSA-N	-1	0	277.305	0.345	20	30		CCEDRM
CC#CCS(=O)(=O)[N-]C(=O)c1cc(Cl)cn1C	ZINC000810776555	613647589	/nfs/dbraw/zinc/64/75/89/613647589.db2.gz	XZGPBTDCQHTVHN-UHFFFAOYSA-N	-1	0	274.729	0.761	20	30		CCEDRM
CC#CCS(=O)(=O)[N-]C(=O)c1ccc([S@](C)=O)cc1	ZINC000810775169	613647796	/nfs/dbraw/zinc/64/77/96/613647796.db2.gz	VXAHHVQDWAVIFJ-SFHVURJKSA-N	-1	0	299.373	0.507	20	30		CCEDRM
C=CCN(CC=C)C(=O)[C@@H](C)OC(=O)[C@H](C)NC(=O)[O-]	ZINC000833375422	613648572	/nfs/dbraw/zinc/64/85/72/613648572.db2.gz	WMFDCWTYTUMNPP-VHSXEESVSA-N	-1	0	284.312	0.775	20	30		CCEDRM
CC#CC[C@@H](NS(=O)(=O)CC1(F)CC1)C(=O)[O-]	ZINC000903835161	613650472	/nfs/dbraw/zinc/65/04/72/613650472.db2.gz	ZCLVQCBHIFFAFW-MRVPVSSYSA-N	-1	0	263.290	0.275	20	30		CCEDRM
CC(N=Nc1ccncc1Cl)c1cn(CC(=O)[O-])nn1	ZINC000825808880	613653258	/nfs/dbraw/zinc/65/32/58/613653258.db2.gz	IIYDEINXIKZWIR-UHFFFAOYSA-N	-1	0	294.702	0.669	20	30		CCEDRM
CC(=NNC1=NCCN1)c1cc([N+](=O)[O-])ccc1[O-]	ZINC000841661438	613653893	/nfs/dbraw/zinc/65/38/93/613653893.db2.gz	PFQFWXWTRUKPPB-UHFFFAOYSA-N	-1	0	263.257	0.573	20	30		CCEDRM
CC(=NNCC(=O)[O-])c1ccccc1-n1ccnn1	ZINC000814959770	613654319	/nfs/dbraw/zinc/65/43/19/613654319.db2.gz	AXAQMKBSBBAVQX-UHFFFAOYSA-N	-1	0	259.269	0.666	20	30		CCEDRM
CC(=NNCC(=O)[O-])c1nnn(-c2ccccc2)c1C	ZINC000814958520	613654322	/nfs/dbraw/zinc/65/43/22/613654322.db2.gz	YUCVIEOLXXZEPX-UHFFFAOYSA-N	-1	0	273.296	0.974	20	30		CCEDRM
CC(=NNCC(=O)[O-])c1ccc2c(c1)OCCO2	ZINC000814958632	613654588	/nfs/dbraw/zinc/65/45/88/613654588.db2.gz	HUSZBTJHYSLVFX-UHFFFAOYSA-N	-1	0	250.254	0.856	20	30		CCEDRM
CC(=NNCCC(=O)[O-])c1ccc2c(c1)CC(=O)N2	ZINC000819726638	613655145	/nfs/dbraw/zinc/65/51/45/613655145.db2.gz	MJVSWETWUJFKGE-UHFFFAOYSA-N	-1	0	261.281	0.970	20	30		CCEDRM
CC(=O)NCCCOC(=O)[C@](C)(C#N)CC(=O)[O-]	ZINC000819744470	613730685	/nfs/dbraw/zinc/73/06/85/613730685.db2.gz	NUAHCHUKHUQSJO-NSHDSACASA-N	-1	0	256.258	0.060	20	30		CCEDRM
C=CCNC(=O)[C@H](C)OC(=O)[C@@]1(C)CCN(C(=O)[O-])C1	ZINC000823506331	613855612	/nfs/dbraw/zinc/85/56/12/613855612.db2.gz	GNGNSNZUZBRZQP-ZANVPECISA-N	-1	0	284.312	0.610	20	30		CCEDRM
C=CCNC(=O)[C@H](C)OC(=O)[C@@](C)(C#N)CC(=O)[O-]	ZINC000819720445	613855641	/nfs/dbraw/zinc/85/56/41/613855641.db2.gz	ZBTIFIHBEZVCRK-QPUJVOFHSA-N	-1	0	268.269	0.225	20	30		CCEDRM
C=CCOCC(=O)N1CCC(n2cc(C(=O)[O-])nn2)CC1	ZINC000909985986	613879107	/nfs/dbraw/zinc/87/91/07/613879107.db2.gz	WAKOEBLSJFTHJZ-UHFFFAOYSA-N	-1	0	294.311	0.342	20	30		CCEDRM
C=CCOCC(=O)NC1(C(=O)OC)CCC(C(=O)[O-])CC1	ZINC000833375510	613879316	/nfs/dbraw/zinc/87/93/16/613879316.db2.gz	BPXRNAXFHHYSHB-UHFFFAOYSA-N	-1	0	299.323	0.492	20	30		CCEDRM
C=CCOCC(=O)N[C@@H](CC1CCOCC1)C(=O)[O-]	ZINC000910456474	613879410	/nfs/dbraw/zinc/87/94/10/613879410.db2.gz	BQTWTHHJZKVOIC-NSHDSACASA-N	-1	0	271.313	0.575	20	30		CCEDRM
C=CCOCCNc1nccc(-c2nn[nH]n2)c1[N+](=O)[O-]	ZINC000823932108	613881213	/nfs/dbraw/zinc/88/12/13/613881213.db2.gz	OREBEVKJHNYCDK-UHFFFAOYSA-N	-1	0	291.271	0.784	20	30		CCEDRM
C=CCOCSc1n[n-]c2nc(=O)c(C)nn21	ZINC000865355124	613881553	/nfs/dbraw/zinc/88/15/53/613881553.db2.gz	AMFBLRLNUTYLFN-UHFFFAOYSA-N	-1	0	253.287	0.373	20	30		CCEDRM
C=CCOC[C@@H](NC(=O)C[C@@H](O)CC(C)(C)C)C(=O)[O-]	ZINC000909770295	613881720	/nfs/dbraw/zinc/88/17/20/613881720.db2.gz	DZQMYAFWUOZIOT-GHMZBOCLSA-N	-1	0	287.356	0.946	20	30		CCEDRM
C=CCOC[C@@H](NC(=O)[C@@H](CC)SC)C(=O)[O-]	ZINC000909765185	613881839	/nfs/dbraw/zinc/88/18/39/613881839.db2.gz	ACXOWLLNOXIPLF-RKDXNWHRSA-N	-1	0	261.343	0.900	20	30		CCEDRM
C=CCOC[C@H](NC(=O)CC(C)(C)COC)C(=O)[O-]	ZINC000909769674	613882243	/nfs/dbraw/zinc/88/22/43/613882243.db2.gz	AZELXMOIEFFTBX-JTQLQIEISA-N	-1	0	273.329	0.821	20	30		CCEDRM
C=CCOC[C@H](NC(=O)Cn1ccnc1C(C)C)C(=O)[O-]	ZINC000909771331	613882344	/nfs/dbraw/zinc/88/23/44/613882344.db2.gz	NFERGZXXCDJXBR-NSHDSACASA-N	-1	0	295.339	0.779	20	30		CCEDRM
C=CCOC[C@H](NC(=O)[C@@H]1CCSC1)C(=O)[O-]	ZINC000909771766	613882431	/nfs/dbraw/zinc/88/24/31/613882431.db2.gz	PSRMLVBBXJBOKG-BDAKNGLRSA-N	-1	0	259.327	0.512	20	30		CCEDRM
C=CCOC[C@H](NC(=O)[C@@]1(C)CCCCO1)C(=O)[O-]	ZINC000909771794	613882563	/nfs/dbraw/zinc/88/25/63/613882563.db2.gz	QHTDDTMSBJPXEX-GXFFZTMASA-N	-1	0	271.313	0.718	20	30		CCEDRM
C=CCOC[C@H](NC(=O)[C@H]1[C@H](OCC)[C@H]1C)C(=O)[O-]	ZINC000909765823	613882595	/nfs/dbraw/zinc/88/25/95/613882595.db2.gz	FRJFOMXXMFKECR-UKKRHICBSA-N	-1	0	271.313	0.429	20	30		CCEDRM
C=CCOC[C@H](NC(=O)c1cccc(CO)c1)C(=O)[O-]	ZINC000909769121	613882634	/nfs/dbraw/zinc/88/26/34/613882634.db2.gz	ANLNDVHYZSYDQW-LBPRGKRZSA-N	-1	0	279.292	0.565	20	30		CCEDRM
C=CCO[N-]C(=O)[C@@H](C(C)C)N1CCCS1(=O)=O	ZINC000837048738	613884362	/nfs/dbraw/zinc/88/43/62/613884362.db2.gz	XTFXYUDLMQLFMN-SNVBAGLBSA-N	-1	0	276.358	0.280	20	30		CCEDRM
C=CCO[N-]C(=O)[C@H]1COCCN1C1CCCC1	ZINC000837048184	613884543	/nfs/dbraw/zinc/88/45/43/613884543.db2.gz	MIMMZLRJDDMKHA-GFCCVEGCSA-N	-1	0	254.330	0.864	20	30		CCEDRM
C=CCOc1ccccc1CNC(=O)[C@H](OC)C(=O)[O-]	ZINC000901873641	613884875	/nfs/dbraw/zinc/88/48/75/613884875.db2.gz	SZZKVTXDMOMFQE-LBPRGKRZSA-N	-1	0	279.292	0.967	20	30		CCEDRM
C=CCS(=O)(=O)[N-]C(=O)C[C@H]1COc2ccccc2O1	ZINC000835254675	613886113	/nfs/dbraw/zinc/88/61/13/613886113.db2.gz	YSWCXMIIWBTARB-JTQLQIEISA-N	-1	0	297.332	0.849	20	30		CCEDRM
C=CCS(=O)(=O)[N-]C(=O)C[C@@H]1CCOC[C@H]1OCC	ZINC000870256584	613886147	/nfs/dbraw/zinc/88/61/47/613886147.db2.gz	JGRQXJPQUNJARC-WDEREUQCSA-N	-1	0	291.369	0.450	20	30		CCEDRM
C=CCS(=O)(=O)[N-]C(=O)c1ccc2c(c1)CCO2	ZINC000132762611	613886283	/nfs/dbraw/zinc/88/62/83/613886283.db2.gz	YHCINKUOLADLQR-UHFFFAOYSA-N	-1	0	267.306	0.867	20	30		CCEDRM
C=CCS(=O)(=O)[N-]C(=O)c1cccc(C#N)n1	ZINC000810642688	613886289	/nfs/dbraw/zinc/88/62/89/613886289.db2.gz	BOSQNCVNDJZNNL-UHFFFAOYSA-N	-1	0	251.267	0.199	20	30		CCEDRM
C=CCS(=O)(=O)[N-]C(=O)c1cncc(OC)c1C	ZINC000870259290	613886352	/nfs/dbraw/zinc/88/63/52/613886352.db2.gz	QDJLGOOZPBKFHJ-UHFFFAOYSA-N	-1	0	270.310	0.644	20	30		CCEDRM
CC(C)OCC(=O)[N-]S(=O)(=O)c1cncc(C#N)c1	ZINC000813983149	614007011	/nfs/dbraw/zinc/00/70/11/614007011.db2.gz	JUIUMXLLSJQPBP-UHFFFAOYSA-N	-1	0	283.309	0.183	20	30		CCEDRM
CC(C)(C)O[C@@H]1C[C@H]1C(=O)N[C@@H]1CCCN(O)C1=O	ZINC000854648196	614015669	/nfs/dbraw/zinc/01/56/69/614015669.db2.gz	AAUXGWRUAXIQFQ-OPRDCNLKSA-N	-1	0	270.329	0.686	20	30		CCEDRM
CC(C)OC[C@@H](C(=O)[O-])N(C)C(=O)c1ccc(C#N)cn1	ZINC000827006788	614025512	/nfs/dbraw/zinc/02/55/12/614025512.db2.gz	PCZYGAKEZMRXNF-LBPRGKRZSA-N	-1	0	291.307	0.903	20	30		CCEDRM
CC(C)[C@@](C)(C#N)NC(=O)CN1CC[C@@](F)(C(=O)[O-])C1	ZINC000826676096	614180106	/nfs/dbraw/zinc/18/01/06/614180106.db2.gz	CKMKEKVIKJZPEK-OLZOCXBDSA-N	-1	0	285.319	0.539	20	30		CCEDRM
CC(C)C[C@H](NC(=O)CNC(=O)C(C)(C)C#N)C(=O)[O-]	ZINC000833490921	614218761	/nfs/dbraw/zinc/21/87/61/614218761.db2.gz	FFRQBRHDDRSSHZ-VIFPVBQESA-N	-1	0	283.328	0.268	20	30		CCEDRM
CC(C)Cn1[n-]c(CC(=O)N[C@H](C)CC#N)cc1=O	ZINC000931155840	614237126	/nfs/dbraw/zinc/23/71/26/614237126.db2.gz	YYLGFCWPNDZUJA-SNVBAGLBSA-N	-1	0	264.329	0.793	20	30		CCEDRM
CC(C)Cn1ncnc1CN(CC#N)CC(=O)[O-]	ZINC000833495847	614245622	/nfs/dbraw/zinc/24/56/22/614245622.db2.gz	ZIBWVFOQSVCPBA-UHFFFAOYSA-N	-1	0	251.290	0.344	20	30		CCEDRM
CCC(C)(C)OCC(=O)[N-]S(=O)(=O)CCCC#N	ZINC000838850010	614506239	/nfs/dbraw/zinc/50/62/39/614506239.db2.gz	IXADJFDWRRSOEW-UHFFFAOYSA-N	-1	0	276.358	0.941	20	30		CCEDRM
CCCn1cc(C=CC([O-])=C2C(=O)C=C(C)OC2=O)nn1	ZINC000865214525	614511171	/nfs/dbraw/zinc/51/11/71/614511171.db2.gz	UDMGMRSPARZKIR-ZFDPJTLLSA-N	-1	0	289.291	0.916	20	30		CCEDRM
CCC(CC)[C@@H](O)CNC(=O)[C@](C)(C#N)CC(=O)[O-]	ZINC000820272889	614577545	/nfs/dbraw/zinc/57/75/45/614577545.db2.gz	NHQUKZSBTPTOQE-GWCFXTLKSA-N	-1	0	270.329	0.904	20	30		CCEDRM
CCCC(=O)N1CCC[C@@H](C(=O)N[C@H]2CCN(O)C2=O)C1	ZINC000816694661	614751863	/nfs/dbraw/zinc/75/18/63/614751863.db2.gz	KUORBRKLYFCRTC-MNOVXSKESA-N	-1	0	297.355	0.131	20	30		CCEDRM
CC1(C)C[C@H](S(=O)(=O)[N-]C(=O)c2ccc(C#N)o2)CO1	ZINC000861139114	614782213	/nfs/dbraw/zinc/78/22/13/614782213.db2.gz	PGWLCYOIVAEFPT-VIFPVBQESA-N	-1	0	298.320	0.778	20	30		CCEDRM
CCN(CC#N)C(=O)C[C@H]1CN(C(=O)[O-])CCO1	ZINC000826992842	614923031	/nfs/dbraw/zinc/92/30/31/614923031.db2.gz	VOCXZGUGHHZJRA-VIFPVBQESA-N	-1	0	255.274	0.127	20	30		CCEDRM
CCCCCNC(=O)C(C#N)=C([O-])c1cnnn1CC	ZINC000815905390	614924431	/nfs/dbraw/zinc/92/44/31/614924431.db2.gz	LOXBKVMMDYYEOU-SNVBAGLBSA-N	-1	0	277.328	0.927	20	30		CCEDRM
CCCCCNC(=O)C(C#N)=C([O-])c1ncn(C)n1	ZINC000810528095	614924519	/nfs/dbraw/zinc/92/45/19/614924519.db2.gz	QMWITMIFWPALLT-SECBINFHSA-N	-1	0	263.301	0.444	20	30		CCEDRM
CC1=C(C(=O)[O-])C[C@H](Cn2c(N)nc(C#N)c2C#N)O1	ZINC000833579411	614961170	/nfs/dbraw/zinc/96/11/70/614961170.db2.gz	BTIRXBZCGMDQSQ-SSDOTTSWSA-N	-1	0	273.252	0.356	20	30		CCEDRM
CCC[C@@H](NC(=O)[O-])C(=O)NC[C@H]1CCCN(CC#N)C1	ZINC000826752421	614991479	/nfs/dbraw/zinc/99/14/79/614991479.db2.gz	URCIUHWNNWQIHH-VXGBXAGGSA-N	-1	0	296.371	0.774	20	30		CCEDRM
CCN(CCC#N)C(=O)CN1CCCC[C@H]1C(=O)[O-]	ZINC000820344012	615021046	/nfs/dbraw/zinc/02/10/46/615021046.db2.gz	KLPHQELHEABERV-NSHDSACASA-N	-1	0	267.329	0.688	20	30		CCEDRM
CCN(CCO)N=Cc1ccccc1OCC(=O)[O-]	ZINC000842535114	615055176	/nfs/dbraw/zinc/05/51/76/615055176.db2.gz	FCNPBPFNXVVTPL-UHFFFAOYSA-N	-1	0	266.297	0.798	20	30		CCEDRM
CCN(CCO)N=Cc1ccc(C(=O)[O-])c(O)c1	ZINC000901257004	615055268	/nfs/dbraw/zinc/05/52/68/615055268.db2.gz	DBOBTVAPHRGEBP-UHFFFAOYSA-N	-1	0	252.270	0.739	20	30		CCEDRM
CCN(C[C@@H](C)C#N)C(=O)CN(C)[C@@H](C)C(=O)[O-]	ZINC000818193587	615061617	/nfs/dbraw/zinc/06/16/17/615061617.db2.gz	BOGBDFPIPWHDJG-UWVGGRQHSA-N	-1	0	255.318	0.399	20	30		CCEDRM
CCN(C[C@@H](C)C#N)C(=O)COC(=O)C1(NC(=O)[O-])CC1	ZINC000827020468	615061758	/nfs/dbraw/zinc/06/17/58/615061758.db2.gz	UZFUNHHZCCJOAD-VIFPVBQESA-N	-1	0	297.311	0.338	20	30		CCEDRM
CCN(C[C@@H]1CCOC1)C(=O)[C@](C)(C#N)CC(=O)[O-]	ZINC000820343945	615064030	/nfs/dbraw/zinc/06/40/30/615064030.db2.gz	DFPCPKFSUYNKLI-GWCFXTLKSA-N	-1	0	268.313	0.876	20	30		CCEDRM
CCN(C[C@H](C)C#N)C(=O)[C@@](C)(C#N)CC(=O)[O-]	ZINC000820332727	615064878	/nfs/dbraw/zinc/06/48/78/615064878.db2.gz	GSRQFCLIEUAPCE-BXKDBHETSA-N	-1	0	251.286	0.999	20	30		CCEDRM
CCOC(=O)c1ccc(CN[C@H]2CCCN(O)C2=O)o1	ZINC000895161014	615182462	/nfs/dbraw/zinc/18/24/62/615182462.db2.gz	CRAMJIZEHWGPGM-JTQLQIEISA-N	-1	0	282.296	0.926	20	30		CCEDRM
CCOCCCNC(=O)C(C#N)=C([O-])c1cnn(CC)n1	ZINC000815904853	615244523	/nfs/dbraw/zinc/24/45/23/615244523.db2.gz	RXLQKWFZUSHETA-JTQLQIEISA-N	-1	0	293.327	0.163	20	30		CCEDRM
CCOCCCNC(=O)C(C#N)=C([O-])c1ccn(CC)n1	ZINC000842681977	615245533	/nfs/dbraw/zinc/24/55/33/615245533.db2.gz	WAHUVZOZGSFWEC-LLVKDONJSA-N	-1	0	292.339	0.768	20	30		CCEDRM
CCOCCCNC(=O)C(C#N)=C([O-])c1cn(C)nc1C	ZINC000113651614	615245772	/nfs/dbraw/zinc/24/57/72/615245772.db2.gz	KKRPGYRCKFZMGZ-LLVKDONJSA-N	-1	0	292.339	0.594	20	30		CCEDRM
CCOC[C@@H](C(=O)[O-])N(C)S(=O)(=O)CCCCC#N	ZINC000829978945	615304318	/nfs/dbraw/zinc/30/43/18/615304318.db2.gz	UGJHZJKRMJFSTK-JTQLQIEISA-N	-1	0	292.357	0.432	20	30		CCEDRM
CCO[N-]C(=O)CNC(=O)C1(c2ccc(C#N)cc2)CC1	ZINC000846490379	615356710	/nfs/dbraw/zinc/35/67/10/615356710.db2.gz	JDOLEJLYJXUHCN-UHFFFAOYSA-N	-1	0	287.319	0.774	20	30		CCEDRM
CCO[N-]C(=O)CNC(=O)[C@@H](C)Oc1ccc(C#N)cc1	ZINC000846496530	615368048	/nfs/dbraw/zinc/36/80/48/615368048.db2.gz	CXGKMOPMLDEWTO-SNVBAGLBSA-N	-1	0	291.307	0.509	20	30		CCEDRM
CCO[N-]C(=O)CNc1nnc(CC)c(CC)c1C#N	ZINC000845714325	615377177	/nfs/dbraw/zinc/37/71/77/615377177.db2.gz	UALAHAPRUXSQRQ-UHFFFAOYSA-N	-1	0	277.328	0.953	20	30		CCEDRM
CCOC(=O)c1cc(C=Nn2c(=O)[n-][nH]c2=O)[nH]c1C	ZINC000814231156	615401970	/nfs/dbraw/zinc/40/19/70/615401970.db2.gz	NTVPPTTWEYRMDP-UHFFFAOYSA-N	-1	0	279.256	0.385	20	30		CCEDRM
CCO[C@H](C)C(=O)[N-]S(=O)(=O)c1cncc(C#N)c1	ZINC000813981515	615477103	/nfs/dbraw/zinc/47/71/03/615477103.db2.gz	DEBQGOSFTHDADZ-MRVPVSSYSA-N	-1	0	283.309	0.183	20	30		CCEDRM
CC[C@@H](NN=C1CCCc2nc(N)ncc21)C(=O)[O-]	ZINC000814937817	615536159	/nfs/dbraw/zinc/53/61/59/615536159.db2.gz	PSCCILZJWAXIOA-MRVPVSSYSA-N	-1	0	263.301	0.552	20	30		CCEDRM
CC[C@@H](NN=C1C(=O)Nc2c1ccc(O)c2F)C(=O)[O-]	ZINC000841642346	615536268	/nfs/dbraw/zinc/53/62/68/615536268.db2.gz	OEDQGHUNHLQRPT-ZCFIWIBFSA-N	-1	0	281.243	0.640	20	30		CCEDRM
CCc1ncc(CN[C@H]2CCCN(O)C2=O)cn1	ZINC000895159598	615774633	/nfs/dbraw/zinc/77/46/33/615774633.db2.gz	WFBSAXCRKGKGOE-JTQLQIEISA-N	-1	0	250.302	0.509	20	30		CCEDRM
CC[C@H](NN=Cc1cn(C2CCC2)nn1)C(=O)[O-]	ZINC000853348157	615819775	/nfs/dbraw/zinc/81/97/75/615819775.db2.gz	BMTDWGSGESEVIC-JTQLQIEISA-N	-1	0	251.290	0.790	20	30		CCEDRM
CC[C@H](NN=Cc1cnc2n1CCOC2)C(=O)[O-]	ZINC000905470443	615819966	/nfs/dbraw/zinc/81/99/66/615819966.db2.gz	QUMDUUPEKWETOH-VIFPVBQESA-N	-1	0	252.274	0.200	20	30		CCEDRM
CCc1noc(C)c1C(=O)N[C@H]1CCN(O)C1=O	ZINC000820163118	615832048	/nfs/dbraw/zinc/83/20/48/615832048.db2.gz	NIRNOIFQXADMJD-QMMMGPOBSA-N	-1	0	253.258	0.265	20	30		CCEDRM
CN(C(=O)[O-])[C@@H]1CCN(C(=O)c2ccc(C#N)nc2)C1	ZINC000827871984	615844060	/nfs/dbraw/zinc/84/40/60/615844060.db2.gz	VHRWYARDJMSWPX-LLVKDONJSA-N	-1	0	274.280	0.778	20	30		CCEDRM
CCn1[n-]nnc1=NC(=O)N1CCC[C@H](CC#N)C1	ZINC000888322714	615911425	/nfs/dbraw/zinc/91/14/25/615911425.db2.gz	LLXJZLGGWMHSPH-SECBINFHSA-N	-1	0	263.305	0.272	20	30		CCEDRM
CCn1[n-]nnc1=NC(=O)c1ccc(CC#N)cc1	ZINC000891339364	615916870	/nfs/dbraw/zinc/91/68/70/615916870.db2.gz	HKHDHMATZDLCSC-UHFFFAOYSA-N	-1	0	256.269	0.433	20	30		CCEDRM
CN(C)C[C@@](C)(C#N)[N-]C(=O)C(F)(F)C(F)F	ZINC000844529141	615935012	/nfs/dbraw/zinc/93/50/12/615935012.db2.gz	OEAVWXJCTQYVLN-MRVPVSSYSA-N	-1	0	255.215	0.847	20	30		CCEDRM
CC[C@](C)(C#N)C(=O)N1CC[C@@](OC)(C(=O)[O-])C1	ZINC000923098701	615942107	/nfs/dbraw/zinc/94/21/07/615942107.db2.gz	NZCUPDVFLOCJGH-NEPJUHHUSA-N	-1	0	254.286	0.628	20	30		CCEDRM
CCn1cc(C([O-])=C(C#N)C(=O)NCCCOC)c(C)n1	ZINC000860461855	615962498	/nfs/dbraw/zinc/96/24/98/615962498.db2.gz	NQXKQRVBLBDBLW-LLVKDONJSA-N	-1	0	292.339	0.687	20	30		CCEDRM
CC[C@](C)(OC)C(=O)[N-]S(=O)(=O)c1cncc(C#N)c1	ZINC000813981005	615964433	/nfs/dbraw/zinc/96/44/33/615964433.db2.gz	QUZNVKCOFGTIFZ-LBPRGKRZSA-N	-1	0	297.336	0.573	20	30		CCEDRM
CN(CCC(=O)[O-])S(=O)(=O)N(CCC#N)CC1CC1	ZINC000830726964	616069126	/nfs/dbraw/zinc/06/91/26/616069126.db2.gz	BFLILQJXNDHXAA-UHFFFAOYSA-N	-1	0	289.357	0.263	20	30		CCEDRM
CN(CCOCC1CC1)C(=O)[C@](C)(C#N)CC(=O)[O-]	ZINC000820597341	616115102	/nfs/dbraw/zinc/11/51/02/616115102.db2.gz	KENHOJKCYKCYKE-ZDUSSCGKSA-N	-1	0	268.313	0.876	20	30		CCEDRM
CN(Cc1cc(C#N)cs1)C(=O)CCc1nnn[n-]1	ZINC000887965578	616164242	/nfs/dbraw/zinc/16/42/42/616164242.db2.gz	IXIGZZWXXNJHMO-UHFFFAOYSA-N	-1	0	276.325	0.724	20	30		CCEDRM
COC(=O)C(C)(C)CCN=Nc1nnc(C)c(=O)[n-]1	ZINC000814734403	616334805	/nfs/dbraw/zinc/33/48/05/616334805.db2.gz	BGPDHDMHFKFDRH-UHFFFAOYSA-N	-1	0	267.289	0.873	20	30		CCEDRM
COC(=O)[C@@H]1C[C@@H]1C/N=C\c1c(CO)cnc(C)c1O	ZINC000887272880	616436218	/nfs/dbraw/zinc/43/62/18/616436218.db2.gz	XSVHLNWMBONEIZ-OGVRWZAQSA-N	-1	0	278.308	0.816	20	30		CCEDRM
COCCNC(=O)C(C#N)=C([O-])c1cc(F)ncc1C	ZINC000892490971	616496517	/nfs/dbraw/zinc/49/65/17/616496517.db2.gz	AJELTNMJPCOZIE-SNVBAGLBSA-N	-1	0	279.271	0.614	20	30		CCEDRM
COCCNC(=O)C(C#N)=C([O-])c1ccnn1C(F)F	ZINC000850757360	616496567	/nfs/dbraw/zinc/49/65/67/616496567.db2.gz	JOICDLKVFCFONT-SSDOTTSWSA-N	-1	0	286.238	0.363	20	30		CCEDRM
COCC#CCOC(=O)c1ccc([N-]S(C)(=O)=O)nc1	ZINC000859924676	616529618	/nfs/dbraw/zinc/52/96/18/616529618.db2.gz	WFLPOMPKNIGGFX-UHFFFAOYSA-N	-1	0	298.320	0.260	20	30		CCEDRM
COC(=O)CCCN1CCN(C(=O)[O-])C[C@H]1C#N	ZINC000828669953	616530331	/nfs/dbraw/zinc/53/03/31/616530331.db2.gz	ABSXZBWGVNYSLK-SECBINFHSA-N	-1	0	255.274	0.127	20	30		CCEDRM
COC(=O)CCCS(=O)(=O)[N-]C(=O)CCCC#N	ZINC000813068140	616541584	/nfs/dbraw/zinc/54/15/84/616541584.db2.gz	HZJBTRMQARUNRA-UHFFFAOYSA-N	-1	0	276.314	0.079	20	30		CCEDRM
COC[C@H](OC)C(=O)[N-]Oc1cccc(C#N)c1	ZINC000870689394	616755284	/nfs/dbraw/zinc/75/52/84/616755284.db2.gz	BRQAJZFRDRNWFD-NSHDSACASA-N	-1	0	250.254	0.630	20	30		CCEDRM
CNC(=O)C(C#N)=C([O-])c1cc(C)nc2cc(C)nn21	ZINC000917431915	616776803	/nfs/dbraw/zinc/77/68/03/616776803.db2.gz	WTANSZFEFUNGFQ-VIFPVBQESA-N	-1	0	271.280	0.415	20	30		CCEDRM
COC[C@](C)(C#N)NC(=O)CC1(NC(=O)[O-])CCC1	ZINC000828886724	616816246	/nfs/dbraw/zinc/81/62/46/616816246.db2.gz	WOBVXKIHRMPRSX-NSHDSACASA-N	-1	0	269.301	0.612	20	30		CCEDRM
COC[C@](C)(NC(=O)c1cc(C#N)cn1C)C(=O)[O-]	ZINC000831612473	616831406	/nfs/dbraw/zinc/83/14/06/616831406.db2.gz	AOKLVMAUAXKDGS-LBPRGKRZSA-N	-1	0	265.269	0.116	20	30		CCEDRM
COC(=O)c1cc(C([O-])=C(C#N)C(=O)N2CCCC2)c[nH]1	ZINC000815904885	616835056	/nfs/dbraw/zinc/83/50/56/616835056.db2.gz	SKPGMLNHPDZEKY-SNVBAGLBSA-N	-1	0	289.291	0.746	20	30		CCEDRM
CNC(=O)C(C#N)=C([O-])c1ccc(-c2nn[nH]n2)cc1C	ZINC000826050930	616839359	/nfs/dbraw/zinc/83/93/59/616839359.db2.gz	IIRRFQZVJRKISZ-SNVBAGLBSA-N	-1	0	284.279	0.244	20	30		CCEDRM
COCCC1(CNC(=O)[C@](C)(C#N)CC(=O)[O-])CC1	ZINC000820715344	616845581	/nfs/dbraw/zinc/84/55/81/616845581.db2.gz	UJYHISULAWAUEL-LBPRGKRZSA-N	-1	0	268.313	0.924	20	30		CCEDRM
COC[C@@H](NC(=O)[C@@](C)(C#N)CC(=O)[O-])C(C)C	ZINC000820710580	616893067	/nfs/dbraw/zinc/89/30/67/616893067.db2.gz	POKUGJDZYFCDNS-BXKDBHETSA-N	-1	0	256.302	0.778	20	30		CCEDRM
CO[C@@](C)(C(=O)[O-])C(=O)N[C@H]1Cc2ccc(C#N)cc2C1	ZINC000902545984	616900770	/nfs/dbraw/zinc/90/07/70/616900770.db2.gz	OMEZMCHSXJOZLK-SWLSCSKDSA-N	-1	0	288.303	0.631	20	30		CCEDRM
COCc1cccc(C(=O)[N-]S(=O)(=O)CCC#N)c1	ZINC000821582162	616901218	/nfs/dbraw/zinc/90/12/18/616901218.db2.gz	FMORAQIIRFCZOK-UHFFFAOYSA-N	-1	0	282.321	0.806	20	30		CCEDRM
COCCCNC(=S)NN=C1CC(C(=O)[O-])C1	ZINC000814734736	616904951	/nfs/dbraw/zinc/90/49/51/616904951.db2.gz	RWMCNPAFGITNAF-UHFFFAOYSA-N	-1	0	259.331	0.338	20	30		CCEDRM
COCc1cncc(C(=O)N[C@H]2CCCN(O)C2=O)c1	ZINC000848134634	616915110	/nfs/dbraw/zinc/91/51/10/616915110.db2.gz	CDXBANFEZKHEQT-NSHDSACASA-N	-1	0	279.296	0.338	20	30		CCEDRM
COC(=O)c1ccc2[nH]cc(C=NNCC(=O)[O-])c2c1	ZINC000814958635	616922236	/nfs/dbraw/zinc/92/22/36/616922236.db2.gz	HXLODQFUDBTFFP-UHFFFAOYSA-N	-1	0	275.264	0.963	20	30		CCEDRM
COC(=O)[C@@H](C)CCN=Nc1nnc(C)c(=O)[n-]1	ZINC000814215814	616936826	/nfs/dbraw/zinc/93/68/26/616936826.db2.gz	VBPDQYOGMPWWMP-LURJTMIESA-N	-1	0	253.262	0.483	20	30		CCEDRM
COC(=O)[C@@H](C)CC=Nn1c(=O)c(C)n[n-]c1=S	ZINC000814213834	616936932	/nfs/dbraw/zinc/93/69/32/616936932.db2.gz	VMQFBHRGIALISB-LURJTMIESA-N	-1	0	270.314	0.269	20	30		CCEDRM
COC(=O)c1ccoc1CN1CCN(C(=O)[O-])C[C@H]1C#N	ZINC000828804823	616951233	/nfs/dbraw/zinc/95/12/33/616951233.db2.gz	RTICKVBSVVGYJX-SECBINFHSA-N	-1	0	293.279	0.754	20	30		CCEDRM
CO[C@H](C)C(C)N=Nc1oc(C)nc1-c1nnn[n-]1	ZINC000821673967	617049173	/nfs/dbraw/zinc/04/91/73/617049173.db2.gz	PTAWIPDGTVFPFY-ZCFIWIBFSA-N	-1	0	265.277	0.986	20	30		CCEDRM
CO[C@H](C)CC(=O)[N-]S(=O)(=O)c1cncc(C#N)c1	ZINC000813984017	617051526	/nfs/dbraw/zinc/05/15/26/617051526.db2.gz	MCLIDKKKKCJPJH-MRVPVSSYSA-N	-1	0	283.309	0.183	20	30		CCEDRM
CO[C@H]1CCCN(C(=O)[C@@](C)(C#N)CC(=O)[O-])C1	ZINC000820702932	617095400	/nfs/dbraw/zinc/09/54/00/617095400.db2.gz	JWYRBJBIRAVVCQ-JOYOIKCWSA-N	-1	0	254.286	0.628	20	30		CCEDRM
CO[N-]C(=O)CNC(=O)[C@@H](C)Cc1ccc(C#N)cc1	ZINC000832746304	617115158	/nfs/dbraw/zinc/11/51/58/617115158.db2.gz	YMZUEMUXNRCNEJ-JTQLQIEISA-N	-1	0	275.308	0.531	20	30		CCEDRM
CO[C@@H](C(=O)[O-])C(=O)N(C)CCc1cccc(C#N)c1	ZINC000902408896	617127999	/nfs/dbraw/zinc/12/79/99/617127999.db2.gz	HEVOSDDKQGAJRW-GFCCVEGCSA-N	-1	0	276.292	0.659	20	30		CCEDRM
CO[C@@H](C)CS(=O)(=O)[N-]C(=O)c1ncc(C#N)cc1C	ZINC000816049255	617159458	/nfs/dbraw/zinc/15/94/58/617159458.db2.gz	BBOLQLORSTUBEC-VIFPVBQESA-N	-1	0	297.336	0.356	20	30		CCEDRM
Cc1cncc(C(=O)/C=C/c2cn(CC(=O)[O-])nn2)c1	ZINC000184767178	625410044	/nfs/dbraw/zinc/41/00/44/625410044.db2.gz	FMHIFOXSFDGSNP-NSCUHMNNSA-N	-1	0	272.264	0.962	20	30		CCEDRM
CNC(=O)C(C#N)=C([O-])c1cc(C)cc([N+](=O)[O-])c1	ZINC000121787304	622691437	/nfs/dbraw/zinc/69/14/37/622691437.db2.gz	XFVSXZMHWWKNCY-JTQLQIEISA-N	-1	0	261.237	0.972	20	30		CCEDRM
C=CCCOCCNC(=O)N[C@H](C(=O)[O-])C(C)C	ZINC000227476288	622967980	/nfs/dbraw/zinc/96/79/80/622967980.db2.gz	ZPGYCRYNWOXTRJ-JTQLQIEISA-N	-1	0	258.318	0.988	20	30		CCEDRM
Cc1n[nH]c(C(=O)NC[C@@H]2CCCN(CC#N)C2)c1[O-]	ZINC001023314956	622996712	/nfs/dbraw/zinc/99/67/12/622996712.db2.gz	RHBPTWNRNIKNSE-JTQLQIEISA-N	-1	0	277.328	0.389	20	30		CCEDRM
Cc1n[nH]c(C(=O)N[C@H]2CCN(CC#N)[C@H](C)C2)c1[O-]	ZINC000947205217	623217269	/nfs/dbraw/zinc/21/72/69/623217269.db2.gz	NQDBCQFVPXECGF-SCZZXKLOSA-N	-1	0	277.328	0.530	20	30		CCEDRM
N#Cc1cccc(CS(=O)(=O)[N-]C(=O)COC2CC2)c1	ZINC000892664588	623640680	/nfs/dbraw/zinc/64/06/80/623640680.db2.gz	WGAJIBWURKNHSR-UHFFFAOYSA-N	-1	0	294.332	0.683	20	30		CCEDRM
CCOCCCNC(=O)C(C#N)=C([O-])c1cccn1C	ZINC000124207386	625667603	/nfs/dbraw/zinc/66/76/03/625667603.db2.gz	OBASFJKBIVIIOE-LLVKDONJSA-N	-1	0	277.324	0.890	20	30		CCEDRM
NC(=O)NCc1ccc(S(=O)(=O)[N-]C(=O)C2CC2)cc1	ZINC000049461657	624462081	/nfs/dbraw/zinc/46/20/81/624462081.db2.gz	DKWBNXJYSDNLAQ-UHFFFAOYSA-N	-1	0	297.336	0.910	20	30		CCEDRM
C[C@H](NC(=O)c1cccs1)C(=O)[N-]S(C)(=O)=O	ZINC000042279614	624479851	/nfs/dbraw/zinc/47/98/51/624479851.db2.gz	HVMIOLWQRGLRME-LURJTMIESA-N	-1	0	276.339	0.783	20	30		CCEDRM
COCCOc1cccc(C(=O)[N-]S(C)(=O)=O)c1	ZINC000049004004	624789311	/nfs/dbraw/zinc/78/93/11/624789311.db2.gz	FNTZFYINNJJMBL-UHFFFAOYSA-N	-1	0	273.310	0.976	20	30		CCEDRM
C=CCN(CC(=O)[O-])C(=O)c1ccc(CNC(N)=O)cc1	ZINC000092462932	624851574	/nfs/dbraw/zinc/85/15/74/624851574.db2.gz	JOWXVLPDVVFAHU-UHFFFAOYSA-N	-1	0	291.307	0.568	20	30		CCEDRM
N#Cc1c([N-]S(=O)(=O)CCC2CC2)nc2n1CCOC2	ZINC000903691040	634627047	/nfs/dbraw/zinc/62/70/47/634627047.db2.gz	CKBFGWPKSJNZNT-UHFFFAOYSA-N	-1	0	296.352	0.827	20	30		CCEDRM
C#CCN(C)S(=O)(=O)c1ccc(C(=O)[O-])cc1OC	ZINC000223779773	631294463	/nfs/dbraw/zinc/29/44/63/631294463.db2.gz	SJUOPXQHDLYEQT-UHFFFAOYSA-N	-1	0	283.305	0.647	20	30		CCEDRM
N#Cc1ccc(S(=O)(=O)N(CC(=O)[O-])C2CC2)s1	ZINC000230323821	631519850	/nfs/dbraw/zinc/51/98/50/631519850.db2.gz	WRBRKWRWMXUPAR-UHFFFAOYSA-N	-1	0	286.334	0.857	20	30		CCEDRM
C[C@H]1C[C@H]1C(=O)[N-]S(=O)(=O)c1cc(C(N)=O)n(C)c1	ZINC000048518741	631729404	/nfs/dbraw/zinc/72/94/04/631729404.db2.gz	VXPQZKUCVAGFJI-POYBYMJQSA-N	-1	0	285.325	0.425	20	30		CCEDRM
Cc1ccc(S(=O)(=O)N(C)[C@@H](C)C(=O)[O-])c(C#N)c1	ZINC000871635891	632665136	/nfs/dbraw/zinc/66/51/36/632665136.db2.gz	AABXWSIFJCHOJO-VIFPVBQESA-N	-1	0	282.321	0.960	20	30		CCEDRM
Cc1nc(C#N)cc(N2C[C@@H]3COC[C@]3(C(=O)[O-])C2)n1	ZINC000900962760	634135487	/nfs/dbraw/zinc/13/54/87/634135487.db2.gz	RAXVANVQMRJPNA-NOZJJQNGSA-N	-1	0	274.280	0.194	20	30		CCEDRM
C[C@@H]1CN=C(NN=Cc2cc(C(=O)[O-])ccc2N(C)C)N1	ZINC000901216196	634209842	/nfs/dbraw/zinc/20/98/42/634209842.db2.gz	PAEVHJNFCDAZPX-SECBINFHSA-N	-1	0	289.339	0.722	20	30		CCEDRM
N#Cc1ccc(CC(=O)N2CCC[C@@H]2C(=O)[O-])cn1	ZINC000901441703	634247763	/nfs/dbraw/zinc/24/77/63/634247763.db2.gz	DHLZBJRDLXKODW-LLVKDONJSA-N	-1	0	259.265	0.571	20	30		CCEDRM
C[C@H]1SC[C@H](C(=O)[O-])N1S(=O)(=O)CC(C)(C)C#N	ZINC000905985153	634943579	/nfs/dbraw/zinc/94/35/79/634943579.db2.gz	DVLGMOZGXKWGMR-HTQZYQBOSA-N	-1	0	292.382	0.714	20	30		CCEDRM
CC(C)(C#N)CS(=O)(=O)N1CC2(CCC2)[C@@H]1C(=O)[O-]	ZINC000905998089	634946180	/nfs/dbraw/zinc/94/61/80/634946180.db2.gz	SUKYATBQVUAXTL-VIFPVBQESA-N	-1	0	286.353	0.805	20	30		CCEDRM
C#CCCCCC(=O)N1CCC[C@@H](O)[C@H]1C(=O)[O-]	ZINC000911634378	636324204	/nfs/dbraw/zinc/32/42/04/636324204.db2.gz	IARNZSSHSIDIDN-PWSUYJOCSA-N	-1	0	253.298	0.617	20	30		CCEDRM
C=CC[C@H](CO)CNC(=O)CC1(C(=O)[O-])CCOCC1	ZINC000911650496	636333441	/nfs/dbraw/zinc/33/34/41/636333441.db2.gz	BLFAIHZUQXHZJY-NSHDSACASA-N	-1	0	285.340	0.559	20	30		CCEDRM
C=CCSCCNC(=O)N1C[C@H](O)C[C@@H]1C(=O)[O-]	ZINC000227387612	637024259	/nfs/dbraw/zinc/02/42/59/637024259.db2.gz	KUXIRMBTSTVXEN-RKDXNWHRSA-N	-1	0	274.342	0.135	20	30		CCEDRM
C#CCSCCNC(=O)NC1(C(=O)[O-])CCC1	ZINC000231959222	637235944	/nfs/dbraw/zinc/23/59/44/637235944.db2.gz	WPSGSKOOXVSKIN-UHFFFAOYSA-N	-1	0	256.327	0.659	20	30		CCEDRM
COCCCNC(=O)C(C#N)=C([O-])c1scnc1C	ZINC000173939102	637237292	/nfs/dbraw/zinc/23/72/92/637237292.db2.gz	KWOFVRSKQZCGLA-VIFPVBQESA-N	-1	0	281.337	0.927	20	30		CCEDRM
C[C@H](CO)N(C)N=Cc1ccc(OCC(=O)[O-])cc1	ZINC000842545250	637353327	/nfs/dbraw/zinc/35/33/27/637353327.db2.gz	RMMOVNSESOSDGO-SNVBAGLBSA-N	-1	0	266.297	0.797	20	30		CCEDRM
COCCNC(=O)C(C#N)=C([O-])c1occc1C	ZINC000193422830	637735774	/nfs/dbraw/zinc/73/57/74/637735774.db2.gz	XDPVBRZGAYZNNS-SECBINFHSA-N	-1	0	250.254	0.673	20	30		CCEDRM
COCCNC(=O)C(C#N)=C([O-])c1occc1C	ZINC000193422847	637735815	/nfs/dbraw/zinc/73/58/15/637735815.db2.gz	XDPVBRZGAYZNNS-VIFPVBQESA-N	-1	0	250.254	0.673	20	30		CCEDRM
O=C([O-])c1ccc(C=NN[C@@H]2CCS(=O)(=O)C2)cc1	ZINC000916239150	637892722	/nfs/dbraw/zinc/89/27/22/637892722.db2.gz	OGZMEBCOEJTFGD-LLVKDONJSA-N	-1	0	282.321	0.495	20	30		CCEDRM
Cn1cc([N+](=O)[O-])cc1C([O-])=C(C#N)C(=O)N1CCCC1	ZINC000916871963	637930543	/nfs/dbraw/zinc/93/05/43/637930543.db2.gz	WQGUVTAVJQLLMP-SNVBAGLBSA-N	-1	0	290.279	0.878	20	30		CCEDRM
N#CCCCS(=O)(=O)[N-]C(=O)CCn1cccn1	ZINC000181282322	638328969	/nfs/dbraw/zinc/32/89/69/638328969.db2.gz	SAYIHDJSRGTXMX-UHFFFAOYSA-N	-1	0	270.314	0.023	20	30		CCEDRM
CCO[C@@H]1C[C@@H]1C(=O)[N-]S(=O)(=O)c1cnn(C)c1	ZINC000069642996	638398175	/nfs/dbraw/zinc/39/81/75/638398175.db2.gz	WSGFQGDEVHAIAU-DTWKUNHWSA-N	-1	0	273.314	0.490	20	30		CCEDRM
Cc1nscc1C(=O)[N-]S(=O)(=O)CCCC#N	ZINC000184616644	638700018	/nfs/dbraw/zinc/70/00/18/638700018.db2.gz	RIEXBUHOSRUWDY-UHFFFAOYSA-N	-1	0	273.339	0.815	20	30		CCEDRM
N#C[C@]1(C(=O)N[C@H]2CC=C(C(=O)[O-])C2)CCCOC1	ZINC000923098121	640021114	/nfs/dbraw/zinc/02/11/14/640021114.db2.gz	GETHRTMJIYGHDU-GXFFZTMASA-N	-1	0	264.281	0.596	20	30		CCEDRM
Cc1cc(C(=O)[N-]S(=O)(=O)CC(C)C)ncc1C#N	ZINC000838797008	640271608	/nfs/dbraw/zinc/27/16/08/640271608.db2.gz	OTPWUUIVOTZQKP-UHFFFAOYSA-N	-1	0	281.337	0.977	20	30		CCEDRM
C=CCCOCC[N-]S(=O)(=O)N=S(=O)(CC)CC	ZINC000867017064	640353872	/nfs/dbraw/zinc/35/38/72/640353872.db2.gz	CTBACDQCZZLROB-UHFFFAOYSA-N	-1	0	298.430	0.921	20	30		CCEDRM
C#CCCS(=O)(=O)[N-]C(=O)c1sccc1OC	ZINC000791111205	640445814	/nfs/dbraw/zinc/44/58/14/640445814.db2.gz	QDRHRLQPSLCNPL-UHFFFAOYSA-N	-1	0	273.335	0.840	20	30		CCEDRM
Cc1oc(C#N)cc1C(=O)[N-]S(=O)(=O)C[C@@H]1CCOC1	ZINC000797955617	640471542	/nfs/dbraw/zinc/47/15/42/640471542.db2.gz	VEJSRIGMIZWVTD-SECBINFHSA-N	-1	0	298.320	0.556	20	30		CCEDRM
Cn1nncc1C([O-])=C(C#N)C(=O)NC1CCCCC1	ZINC000798816296	640528599	/nfs/dbraw/zinc/52/85/99/640528599.db2.gz	JFIXMQUUVUSTDK-SNVBAGLBSA-N	-1	0	275.312	0.586	20	30		CCEDRM
C[C@H]1CN=C(NN=Cc2cn(CC(=O)[O-])c3ccccc23)N1	ZINC000799884437	640598834	/nfs/dbraw/zinc/59/88/34/640598834.db2.gz	NDZKVRFFXXNFHI-JTQLQIEISA-N	-1	0	299.334	0.997	20	30		CCEDRM
CC#CCS(=O)(=O)[N-]C(=O)c1ccnc(Cl)c1	ZINC000810772120	640948464	/nfs/dbraw/zinc/94/84/64/640948464.db2.gz	URAAKEUZWHCBTD-UHFFFAOYSA-N	-1	0	272.713	0.818	20	30		CCEDRM
CC#CCS(=O)(=O)[N-]C(=O)C(C)(C)c1cccnc1	ZINC000810771965	640948618	/nfs/dbraw/zinc/94/86/18/640948618.db2.gz	YVCSXMMWDLCCNH-UHFFFAOYSA-N	-1	0	280.349	0.829	20	30		CCEDRM
CC#CCS(=O)(=O)[N-]C(=O)c1occ2c1CCOC2	ZINC000810775688	640949278	/nfs/dbraw/zinc/94/92/78/640949278.db2.gz	QAMWDWUAHQILBI-UHFFFAOYSA-N	-1	0	283.305	0.435	20	30		CCEDRM
CC#CCS(=O)(=O)[N-]C(=O)c1occ2c1CCC2	ZINC000810776518	640949357	/nfs/dbraw/zinc/94/93/57/640949357.db2.gz	WRXLMCFEVBDHGB-UHFFFAOYSA-N	-1	0	267.306	0.851	20	30		CCEDRM
CC#CCS(=O)(=O)[N-]C(=O)c1oc(C)cc1C	ZINC000810775788	640949380	/nfs/dbraw/zinc/94/93/80/640949380.db2.gz	UIZPRBHOXTXMIE-UHFFFAOYSA-N	-1	0	255.295	0.979	20	30		CCEDRM
CC#CCS(=O)(=O)[N-]C(=O)c1ccoc1CC	ZINC000810776998	640949481	/nfs/dbraw/zinc/94/94/81/640949481.db2.gz	QRJIMBWGXCCTSP-UHFFFAOYSA-N	-1	0	255.295	0.925	20	30		CCEDRM
Cc1nnc(NN=Cc2cnc(N(C)C)n2C)[n-]c1=O	ZINC000811632347	640982887	/nfs/dbraw/zinc/98/28/87/640982887.db2.gz	LQZLKGZZNLSLSB-UHFFFAOYSA-N	-1	0	276.304	0.131	20	30		CCEDRM
N#Cc1cncc(S(=O)(=O)[N-]C(=O)CC2CCC2)c1	ZINC000813983249	641051875	/nfs/dbraw/zinc/05/18/75/641051875.db2.gz	NOFIFIIIRMJCBC-UHFFFAOYSA-N	-1	0	279.321	0.948	20	30		CCEDRM
O=c1[n-][nH]c(=O)n1N=Cc1cc(Cl)ccc1O	ZINC000814232391	641062571	/nfs/dbraw/zinc/06/25/71/641062571.db2.gz	UYXPLZROPYYVPD-UHFFFAOYSA-N	-1	0	254.633	0.931	20	30		CCEDRM
O=C([O-])CNN=C1C(=O)Nc2ccc(Br)cc21	ZINC000814958821	641084466	/nfs/dbraw/zinc/08/44/66/641084466.db2.gz	UWCWPDTZFYBXAF-UHFFFAOYSA-N	-1	0	298.096	0.780	20	30		CCEDRM
C[C@H](O)CNN=Cc1cccc(OCCC(=O)[O-])c1	ZINC000814960680	641084968	/nfs/dbraw/zinc/08/49/68/641084968.db2.gz	BEOZPXBMGDOUQE-JTQLQIEISA-N	-1	0	266.297	0.844	20	30		CCEDRM
Cc1cc(C#N)cnc1C(=O)[N-]S(=O)(=O)[C@@H]1CCOC1	ZINC000815948450	641132134	/nfs/dbraw/zinc/13/21/34/641132134.db2.gz	KIXKKQFIXSNQDE-SNVBAGLBSA-N	-1	0	295.320	0.110	20	30		CCEDRM
N#Cc1cncc(S(=O)(=O)[N-]C(=O)CC2(C#N)CC2)c1	ZINC000816095055	641141792	/nfs/dbraw/zinc/14/17/92/641141792.db2.gz	OBKLTHUCGUCXJI-UHFFFAOYSA-N	-1	0	290.304	0.452	20	30		CCEDRM
O=C([O-])COc1ccc(C=NN[C@@H]2CCC[C@H]2O)cc1	ZINC000817332574	641254305	/nfs/dbraw/zinc/25/43/05/641254305.db2.gz	RFDOYLSAQPMASY-CHWSQXEVSA-N	-1	0	278.308	0.987	20	30		CCEDRM
O=C(N[C@@H]1CCCN(O)C1=O)c1ccc([O-])c([N+](=O)[O-])c1	ZINC000820482539	641510742	/nfs/dbraw/zinc/51/07/42/641510742.db2.gz	MMVLEVLJBQIMAF-MRVPVSSYSA-N	-1	0	295.251	0.410	20	30		CCEDRM
N#CCCS(=O)(=O)[N-]C(=O)c1n[nH]c2c1CCCCC2	ZINC000821582500	641610457	/nfs/dbraw/zinc/61/04/57/641610457.db2.gz	OWJMWPBSYWFQFK-UHFFFAOYSA-N	-1	0	296.352	0.652	20	30		CCEDRM
N#CCCS(=O)(=O)[N-]C(=O)CC[C@@H]1CCCCO1	ZINC000821584276	641611220	/nfs/dbraw/zinc/61/12/20/641611220.db2.gz	XEIIPMWNFJEFEJ-JTQLQIEISA-N	-1	0	274.342	0.695	20	30		CCEDRM
NC(=O)CON=C1CCC[C@H]1[C@H]1COCCN1C(=O)[O-]	ZINC000833984899	642544706	/nfs/dbraw/zinc/54/47/06/642544706.db2.gz	KRRFNNYAEUIDLK-PSASIEDQSA-N	-1	0	285.300	0.023	20	30		CCEDRM
CO[C@@H](C=Nn1c(=O)[n-][nH]c1=O)Cc1ccccc1	ZINC000834982244	642644673	/nfs/dbraw/zinc/64/46/73/642644673.db2.gz	SQFBOEUOMZADCP-SNVBAGLBSA-N	-1	0	262.269	0.781	20	30		CCEDRM
N#CCCS(=O)(=O)[N-]C(=O)c1ccc(Cl)o1	ZINC000835411069	642660921	/nfs/dbraw/zinc/66/09/21/642660921.db2.gz	DLAPWNAZJGPQKR-UHFFFAOYSA-N	-1	0	262.674	0.906	20	30		CCEDRM
Cc1cccc2c1O[C@@H](C(=O)[N-]S(=O)(=O)CCC#N)C2	ZINC000835409139	642660969	/nfs/dbraw/zinc/66/09/69/642660969.db2.gz	CXKLXPWLIFARNG-LLVKDONJSA-N	-1	0	294.332	0.658	20	30		CCEDRM
CC#CCS(=O)(=O)[N-]C(=O)c1cn(C2CCC2)nn1	ZINC000842780338	642950915	/nfs/dbraw/zinc/95/09/15/642950915.db2.gz	LDSVQRHEBZNOPB-UHFFFAOYSA-N	-1	0	282.325	0.086	20	30		CCEDRM
Cc1ccn([C@@H](C)CC(=O)[N-]S(=O)(=O)CCCC#N)n1	ZINC000850926353	643822914	/nfs/dbraw/zinc/82/29/14/643822914.db2.gz	LTFDERRJFAMHDU-NSHDSACASA-N	-1	0	298.368	0.892	20	30		CCEDRM
N#CCCS(=O)(=O)[N-]C(=O)c1ccnn1C(F)F	ZINC000851015911	643826242	/nfs/dbraw/zinc/82/62/42/643826242.db2.gz	JKLXAPIVTLFGBF-UHFFFAOYSA-N	-1	0	278.240	0.251	20	30		CCEDRM
Cc1cc(C#N)cnc1C(=O)[N-]S(=O)(=O)CC(F)F	ZINC000851363083	643843011	/nfs/dbraw/zinc/84/30/11/643843011.db2.gz	BGPMUCXRCUOQQL-UHFFFAOYSA-N	-1	0	289.263	0.586	20	30		CCEDRM
N#C[C@]1(C(=O)Nn2c(=O)[n-][nH]c2=O)CC12CCCC2	ZINC000854609317	644232889	/nfs/dbraw/zinc/23/28/89/644232889.db2.gz	OFGGXJWUQIQCDL-NSHDSACASA-N	-1	0	263.257	0.233	20	30		CCEDRM
C[C@H]1CC(=Nn2ccc(=O)[nH]c2=O)CC[C@@H]1C(=O)[O-]	ZINC000863182313	645067970	/nfs/dbraw/zinc/06/79/70/645067970.db2.gz	HMFMZOJHLLUUFG-CBAPKCEASA-N	-1	0	265.269	0.674	20	30		CCEDRM
N#CCN[C@H]1CCN(C(=O)c2ccc3oc(=O)nc-3[n-]2)C1	ZINC001019648897	650995951	/nfs/dbraw/zinc/99/59/51/650995951.db2.gz	FAANZVLBMRDEKS-QMMMGPOBSA-N	-1	0	287.279	0.256	20	30		CCEDRM
N#CC(C(=O)NC1CC1)=C([O-])c1cnn(CC2CC2)c1	ZINC000870142289	645964765	/nfs/dbraw/zinc/96/47/65/645964765.db2.gz	IGTUZPUFLQVFKR-LBPRGKRZSA-N	-1	0	272.308	0.894	20	30		CCEDRM
C[C@H](CS(C)(=O)=O)C(=O)[N-]Oc1cccc(C#N)c1	ZINC000870693018	646017857	/nfs/dbraw/zinc/01/78/57/646017857.db2.gz	VOTPFWCZIMSLBN-SECBINFHSA-N	-1	0	282.321	0.649	20	30		CCEDRM
N#Cc1ccc2c(c1)C[C@@H](NC(=O)N1CC(C(=O)[O-])C1)C2	ZINC000874420871	646458611	/nfs/dbraw/zinc/45/86/11/646458611.db2.gz	VGJZHGMMKUKXOB-ZDUSSCGKSA-N	-1	0	285.303	0.751	20	30		CCEDRM
N#CC(C(=O)NC1CC1)=C([O-])c1ccc(-n2ccnn2)cc1	ZINC000127863185	647078816	/nfs/dbraw/zinc/07/88/16/647078816.db2.gz	ZFJQDDUGFLJLMD-ZDUSSCGKSA-N	-1	0	295.302	0.868	20	30		CCEDRM
O=C(C#Cc1ccccc1)N1CCC[C@H](c2nnn[n-]2)C1	ZINC000129376968	647362681	/nfs/dbraw/zinc/36/26/81/647362681.db2.gz	XMJBRDSXMGNYQI-ZDUSSCGKSA-N	-1	0	281.319	0.957	20	30		CCEDRM
CSc1ccc(CN=c2nn[n-]n2C)cc1C#N	ZINC000884643528	647778516	/nfs/dbraw/zinc/77/85/16/647778516.db2.gz	JZINWQBHBKPCAX-UHFFFAOYSA-N	-1	0	260.326	0.838	20	30		CCEDRM
N#CCC1CN(S(=O)(=O)c2ccc(CC(=O)[O-])cc2)C1	ZINC000926565381	648509507	/nfs/dbraw/zinc/50/95/07/648509507.db2.gz	QXEDYYVLWQWTAI-UHFFFAOYSA-N	-1	0	294.332	0.848	20	30		CCEDRM
COc1ccc(C(=O)[O-])cc1S(=O)(=O)NCCC#N	ZINC000047948711	649316445	/nfs/dbraw/zinc/31/64/45/649316445.db2.gz	YPEWOEVJQWVUNY-UHFFFAOYSA-N	-1	0	284.293	0.585	20	30		CCEDRM
O=C(CCn1cccn1)[N-]S(=O)(=O)N1CCCC1	ZINC000048869446	649327771	/nfs/dbraw/zinc/32/77/71/649327771.db2.gz	TXOBULYYATZILF-UHFFFAOYSA-N	-1	0	272.330	0.570	20	30		CCEDRM
C#CCOc1ccccc1NC(=O)C(=O)[N-]OCC	ZINC000188098369	649340930	/nfs/dbraw/zinc/34/09/30/649340930.db2.gz	PJTBPKGZSGPGMA-UHFFFAOYSA-N	-1	0	262.265	0.705	20	30		CCEDRM
C=CCN(CC(=O)[O-])C(=O)c1cccc(C(=O)NC)c1	ZINC000191249925	649469998	/nfs/dbraw/zinc/46/99/98/649469998.db2.gz	HLNNLGHKSQXSQU-UHFFFAOYSA-N	-1	0	276.292	0.759	20	30		CCEDRM
C=CCN(CC(=O)[O-])C(=O)c1nnc2ccccc2c1O	ZINC000191260585	649470967	/nfs/dbraw/zinc/47/09/67/649470967.db2.gz	LZTCDMIOAUANQD-UHFFFAOYSA-N	-1	0	287.275	0.636	20	30		CCEDRM
C=CCN(CC(=O)[O-])C(=O)c1nc2nc(C)cc(C)n2n1	ZINC000092462503	649723931	/nfs/dbraw/zinc/72/39/31/649723931.db2.gz	SOKNNVTXLQJVAK-UHFFFAOYSA-N	-1	0	289.295	0.454	20	30		CCEDRM
C=CCCCNS(=O)(=O)c1n[nH]cc1C(=O)[O-]	ZINC000304261802	963133636	/nfs/dbraw/zinc/13/36/36/963133636.db2.gz	TZDOFBWCUSBSRH-UHFFFAOYSA-N	-1	0	259.287	0.352	20	30		CCEDRM
N#Cc1ccccc1CS(=O)(=O)N[C@H]1C[C@H](C(=O)[O-])C1	ZINC000693017357	790641301	/nfs/dbraw/zinc/64/13/01/790641301.db2.gz	LLGWPPPFMLKQGC-HAQNSBGRSA-N	-1	0	294.332	0.841	20	30		CCEDRM
C=CCC1(C(=O)[O-])CN(S(=O)(=O)c2cnn(C)c2C)C1	ZINC000722898796	791022881	/nfs/dbraw/zinc/02/28/81/791022881.db2.gz	WIWQWJIUTHQFBG-UHFFFAOYSA-N	-1	0	299.352	0.380	20	30		CCEDRM
C=CCc1ccnc(N[C@@H]2CO[N-]C2=O)c1C(OC)OC	ZINC001167511101	791497864	/nfs/dbraw/zinc/49/78/64/791497864.db2.gz	QDMOLIZKNDSPPY-SNVBAGLBSA-N	-1	0	293.323	0.943	20	30		CCEDRM
C#C[C@H](Oc1n[n-]c(=O)cc1Cl)C(=O)OCC	ZINC001233588038	806088648	/nfs/dbraw/zinc/08/86/48/806088648.db2.gz	AHDUNSYOGGAEPO-ZETCQYMHSA-N	-1	0	256.645	0.779	20	30		CCEDRM
N#Cc1cc(OC(=O)[C@H](O)CC(=O)[O-])ccc1Cl	ZINC001233920106	806146978	/nfs/dbraw/zinc/14/69/78/806146978.db2.gz	BMLHIISWHVYEDM-SECBINFHSA-N	-1	0	269.640	0.953	20	30		CCEDRM
N#Cc1ccc2nc(=O)[n-]c(OC3CS(=O)(=O)C3)c2c1	ZINC001234530893	806267735	/nfs/dbraw/zinc/26/77/35/806267735.db2.gz	ODQOUOMWNYXFFS-UHFFFAOYSA-N	-1	0	291.288	0.383	20	30		CCEDRM
C#C[C@H]1CCCN(C(=O)NCC2(C(=O)[O-])CCOCC2)C1	ZINC001121899811	799087578	/nfs/dbraw/zinc/08/75/78/799087578.db2.gz	JALVYUBZLBDDPZ-LBPRGKRZSA-N	-1	0	294.351	0.923	20	30		CCEDRM
CNC(=O)C(C#N)=C([O-])c1ccc(OC(F)F)nc1	ZINC001122556328	799262707	/nfs/dbraw/zinc/26/27/07/799262707.db2.gz	NDWFPUPQUSSFEU-SSDOTTSWSA-N	-1	0	269.207	0.751	20	30		CCEDRM
CCc1cc(C(=O)C(C#N)=C([O-])c2nccn2C)nn1C	ZINC001122721592	799289573	/nfs/dbraw/zinc/28/95/73/799289573.db2.gz	PEVTZJGZRGOFNK-SNVBAGLBSA-N	-1	0	285.307	0.921	20	30		CCEDRM
CC(C)(C#N)C(=O)NC[C@@H](C(=O)[O-])[C@@H]1CCOC1	ZINC001123297345	799384621	/nfs/dbraw/zinc/38/46/21/799384621.db2.gz	NVCSZAUCFCLSNP-RKDXNWHRSA-N	-1	0	254.286	0.390	20	30		CCEDRM
N#Cc1cc(NC(=O)CN2CCCC2=O)c([O-])cc1F	ZINC001143248421	800216966	/nfs/dbraw/zinc/21/69/66/800216966.db2.gz	UGBJNYRQHCFLOI-UHFFFAOYSA-N	-1	0	277.255	0.964	20	30		CCEDRM
CC[C@](C)(C#N)NC(=O)CCn1cc(C#N)c(=O)[n-]c1=O	ZINC001143322549	800231123	/nfs/dbraw/zinc/23/11/23/800231123.db2.gz	QYCBCKZLLXETOX-CYBMUJFWSA-N	-1	0	289.295	0.019	20	30		CCEDRM
CN(C(=O)c1cc(F)c(C#N)c(F)c1)c1nnn[n-]1	ZINC001149220087	800237060	/nfs/dbraw/zinc/23/70/60/800237060.db2.gz	PVKAPHPGKCHXGC-UHFFFAOYSA-N	-1	0	264.195	0.626	20	30		CCEDRM
COc1ccnc(N[C@H]2SC(=O)[N-]C2=O)c1C#N	ZINC001155836881	801062171	/nfs/dbraw/zinc/06/21/71/801062171.db2.gz	IBFCAJYYJJVWRN-VIFPVBQESA-N	-1	0	264.266	0.683	20	30		CCEDRM
N#Cc1cc([N+](=O)[O-])cnc1N[C@@H]1SC(=O)[N-]C1=O	ZINC001155841247	801063935	/nfs/dbraw/zinc/06/39/35/801063935.db2.gz	DQRHJRLOXZYYAY-MRVPVSSYSA-N	-1	0	279.237	0.582	20	30		CCEDRM
N#Cc1cc(C(F)(F)N[C@@H]2CO[N-]C2=O)cc(Cl)n1	ZINC001156690667	801212015	/nfs/dbraw/zinc/21/20/15/801212015.db2.gz	GWVMVWWZBMARMZ-SSDOTTSWSA-N	-1	0	288.641	0.676	20	30		CCEDRM
C#CC1(O)CN(C(=O)c2cc(Cl)cc([N+](=O)[O-])c2[O-])C1	ZINC001158398297	801636034	/nfs/dbraw/zinc/63/60/34/801636034.db2.gz	NRRGCZUVOYOMCN-UHFFFAOYSA-N	-1	0	296.666	0.774	20	30		CCEDRM
C=CC(C)(C)NC(=O)c1cc(S(N)(=O)=O)ccc1[O-]	ZINC001158858896	801715089	/nfs/dbraw/zinc/71/50/89/801715089.db2.gz	LPEIIWQYDCRAQU-UHFFFAOYSA-N	-1	0	284.337	0.734	20	30		CCEDRM
N#Cc1cc(F)cnc1NCC(=O)CCC(=O)[O-]	ZINC001160874274	802038460	/nfs/dbraw/zinc/03/84/60/802038460.db2.gz	QPCANSSNIGCAJE-UHFFFAOYSA-N	-1	0	251.217	0.938	20	30		CCEDRM
C=CCS(=O)(=O)[N-]c1ncn(C)c2ncnc1-2	ZINC001259921083	808804507	/nfs/dbraw/zinc/80/45/07/808804507.db2.gz	FOXOVTQKEFTGOU-UHFFFAOYSA-N	-1	0	253.287	0.243	20	30		CCEDRM
C#CCO[N-]C(=O)CNC(=O)Nc1cccc(C)c1	ZINC001166327371	802899816	/nfs/dbraw/zinc/89/98/16/802899816.db2.gz	FIKYXWKUISDMCN-UHFFFAOYSA-N	-1	0	261.281	0.798	20	30		CCEDRM
C#CCN(C)S(=O)(=O)c1ccccc1C(=O)[O-]	ZINC000164450106	803311820	/nfs/dbraw/zinc/31/18/20/803311820.db2.gz	PPKXOELPAONESD-UHFFFAOYSA-N	-1	0	253.279	0.639	20	30		CCEDRM
C[C@@H](C#N)S(=O)(=O)[N-]c1cnc(Br)cn1	ZINC000088474359	803478712	/nfs/dbraw/zinc/47/87/12/803478712.db2.gz	JROKKZBNIFVAQV-YFKPBYRVSA-N	-1	0	291.130	0.893	20	30		CCEDRM
N#C[C@@H]1CNCCN1C(=O)c1cc(F)c(F)c([O-])c1F	ZINC000091750057	803682082	/nfs/dbraw/zinc/68/20/82/803682082.db2.gz	KWYSRVCVVIWRDW-ZCFIWIBFSA-N	-1	0	285.225	0.747	20	30		CCEDRM
N#Cc1cc(F)cc(-c2noc(-c3c[nH]c(=O)c(=O)[n-]3)n2)c1	ZINC001213928447	803705614	/nfs/dbraw/zinc/70/56/14/803705614.db2.gz	XREOCAUIIVZWKJ-UHFFFAOYSA-N	-1	0	299.221	0.791	20	30		CCEDRM
C=C[C@@H](CC(=O)OC(C)(C)C)Oc1c([O-])c(=O)c(=O)c1=O	ZINC001225833719	805168016	/nfs/dbraw/zinc/16/80/16/805168016.db2.gz	NFMSTMZTXUAWMF-ZETCQYMHSA-N	-1	0	296.275	0.014	20	30		CCEDRM
C[C@H](O)C(=O)Oc1[n-]c(=O)cc(C(F)(F)F)c1C#N	ZINC001226064819	805190271	/nfs/dbraw/zinc/19/02/71/805190271.db2.gz	QSFXRHDHJPEYGY-BYPYZUCNSA-N	-1	0	276.170	0.964	20	30		CCEDRM
Cc1cc(=O)[n-]c(OC[C@@H]2OCCN(C)C2=O)c1C#N	ZINC001226222768	805207158	/nfs/dbraw/zinc/20/71/58/805207158.db2.gz	HDTFTZMLAAOHBF-JTQLQIEISA-N	-1	0	277.280	0.203	20	30		CCEDRM
C#C[C@H]1CCC[C@@H]1Oc1[n-]c(=O)nc2c(=O)[n-]c(=O)[nH]c12	ZINC001226886839	805291251	/nfs/dbraw/zinc/29/12/51/805291251.db2.gz	UNUVKRKMELRYHR-BQBZGAKWSA-N	-1	0	288.263	0.717	20	30		CCEDRM
COc1nc(O[C@H]2CCN(CC#N)C2)cc(=O)[n-]1	ZINC001227000102	805307130	/nfs/dbraw/zinc/30/71/30/805307130.db2.gz	DYGOGFOFICTVQR-QMMMGPOBSA-N	-1	0	250.258	0.167	20	30		CCEDRM
N#Cc1ccc([N+](=O)[O-])c(OC(=O)[C@H](O)CC(=O)[O-])c1	ZINC001229189428	805510284	/nfs/dbraw/zinc/51/02/84/805510284.db2.gz	UPVPPYQFUTZPFX-MRVPVSSYSA-N	-1	0	280.192	0.207	20	30		CCEDRM
C=CCOC[C@H](CS(=O)(=O)[O-])Oc1cccc(=O)[nH]1	ZINC001229366077	805525014	/nfs/dbraw/zinc/52/50/14/805525014.db2.gz	NVAQXILUZHVMOK-SECBINFHSA-N	-1	0	289.309	0.625	20	30		CCEDRM
CCc1nc(C#N)cc(-c2cnn(CC(=O)[O-])c2)n1	ZINC001242184116	806995988	/nfs/dbraw/zinc/99/59/88/806995988.db2.gz	JJLDSEILECGVJH-UHFFFAOYSA-N	-1	0	257.253	0.859	20	30		CCEDRM
C=CCN1CCC[C@@H]([N-]S(=O)(=O)C(F)(F)F)C1=O	ZINC001252390003	807818353	/nfs/dbraw/zinc/81/83/53/807818353.db2.gz	GWUUWGDURFCXFQ-SSDOTTSWSA-N	-1	0	286.275	0.603	20	30		CCEDRM
C#Cc1nc(Br)cnc1[N-]S(C)(=O)=O	ZINC001252635376	807924699	/nfs/dbraw/zinc/92/46/99/807924699.db2.gz	NESQZUDIIQOPOD-UHFFFAOYSA-N	-1	0	276.115	0.592	20	30		CCEDRM
C=C(C)C(=O)OCc1cn(CCCC(=O)[O-])nn1	ZINC001254086807	808179311	/nfs/dbraw/zinc/17/93/11/808179311.db2.gz	YBZKLNQIHGAKHH-UHFFFAOYSA-N	-1	0	253.258	0.762	20	30		CCEDRM
Cc1ncc(C#N)cc1[N-]S(=O)(=O)c1cnn(C)c1	ZINC001259821432	808777469	/nfs/dbraw/zinc/77/74/69/808777469.db2.gz	YPYJXZUMZRHHSX-UHFFFAOYSA-N	-1	0	277.309	0.796	20	30		CCEDRM
C=CCS(=O)(=O)[N-]c1cccc(F)c1C(N)=O	ZINC001259930560	808808166	/nfs/dbraw/zinc/80/81/66/808808166.db2.gz	ROJGREYZPYKJTK-UHFFFAOYSA-N	-1	0	258.274	0.852	20	30		CCEDRM
CS(=O)(=O)CS(=O)(=O)[N-]c1ccsc1C#N	ZINC001260584601	808868900	/nfs/dbraw/zinc/86/89/00/808868900.db2.gz	OHTYIAVMBATOOC-UHFFFAOYSA-N	-1	0	280.352	0.364	20	30		CCEDRM
C=CCC1(C(=O)N2CCC(O)(C(=O)[O-])CC2)CCOCC1	ZINC001262175162	809221485	/nfs/dbraw/zinc/22/14/85/809221485.db2.gz	XDEHBMOEWQWTAT-UHFFFAOYSA-N	-1	0	297.351	0.797	20	30		CCEDRM
CC(C)CN(c1[n-]c(=O)n(C)c(=O)c1C#N)C1CC1	ZINC001262678079	809392241	/nfs/dbraw/zinc/39/22/41/809392241.db2.gz	OELSXZNLUJUYAA-UHFFFAOYSA-N	-1	0	262.313	0.570	20	30		CCEDRM
CCn1ncc(C(=O)C(C#N)=C([O-])c2nccn2C)n1	ZINC001263382586	809514922	/nfs/dbraw/zinc/51/49/22/809514922.db2.gz	BHLNUVRXTZOWKG-MRVPVSSYSA-N	-1	0	272.268	0.237	20	30		CCEDRM
CCC1=C(OCC[P@@](=O)([O-])O)C(=O)[C@@H](C)O1	ZINC001224606089	815321324	/nfs/dbraw/zinc/32/13/24/815321324.db2.gz	LYHBEFDZQHAOOK-ZCFIWIBFSA-N	-1	0	250.187	0.790	20	30		CCEDRM
CC[C@H](C#CC(=O)OC)OCC[P@@](=O)([O-])O	ZINC001224603510	815319634	/nfs/dbraw/zinc/31/96/34/815319634.db2.gz	ZKQVKAQTXLPRIX-MRVPVSSYSA-N	-1	0	250.187	0.136	20	30		CCEDRM
C=CCNC(=O)CNC(=O)[C@@H]1CCC[C@@H](C(=O)[O-])C1	ZINC000393823517	811478262	/nfs/dbraw/zinc/47/82/62/811478262.db2.gz	LCEAYZFWPNMPSA-NXEZZACHSA-N	-1	0	268.313	0.296	20	30		CCEDRM
C#C[C@@H](NS(=O)(=O)c1cc(C(=O)[O-])n(C)c1)C(C)C	ZINC000302296778	813044267	/nfs/dbraw/zinc/04/42/67/813044267.db2.gz	GXDKIDZVJRDGBE-SNVBAGLBSA-N	-1	0	284.337	0.659	20	30		CCEDRM
C#CCC[N@H+]1C[C@@H]2CCN(C(=O)c3n[nH]c(C)c3[O-])[C@@H]2C1	ZINC001075692371	813330168	/nfs/dbraw/zinc/33/01/68/813330168.db2.gz	WAFXDIQFZGWKOL-NWDGAFQWSA-N	-1	0	288.351	0.593	20	30		CCEDRM
C=C[C@H](CC(=O)OC(C)(C)C)Oc1c([O-])c(=O)c1=O	ZINC001226603972	814059331	/nfs/dbraw/zinc/05/93/31/814059331.db2.gz	YWUUQNFEZUOBIV-SSDOTTSWSA-N	-1	0	268.265	0.653	20	30		CCEDRM
C#C[C@H](Oc1c[n-]c(C(=O)OC)cc1=O)C(=O)OCC	ZINC001227786480	814509903	/nfs/dbraw/zinc/50/99/03/814509903.db2.gz	SDQPFLQTIWXGLK-JTQLQIEISA-N	-1	0	279.248	0.105	20	30		CCEDRM
C=CC[C@@H]1CCN(C(=O)c2cn(CC(=O)[O-])nn2)C1	ZINC000703622830	819302871	/nfs/dbraw/zinc/30/28/71/819302871.db2.gz	OLYBVNVYJUNSHW-SECBINFHSA-N	-1	0	264.285	0.401	20	30		CCEDRM
N#Cc1ccc(CC(=O)NCCOCC(=O)[O-])cc1	ZINC000704621484	819392221	/nfs/dbraw/zinc/39/22/21/819392221.db2.gz	BFEHVFIRAHOWNG-UHFFFAOYSA-N	-1	0	262.265	0.318	20	30		CCEDRM
CSCCNC(=S)NN=C1CC(C(=O)[O-])C1	ZINC000378664644	821592805	/nfs/dbraw/zinc/59/28/05/821592805.db2.gz	FHXIMUCEGKVQLJ-UHFFFAOYSA-N	-1	0	261.372	0.664	20	30		CCEDRM
N#CC1(CS(=O)(=O)[N-]C(=O)C2CC(F)(F)C2)CC1	ZINC000793201663	837399348	/nfs/dbraw/zinc/39/93/48/837399348.db2.gz	PZWNXCSZCNJSDK-UHFFFAOYSA-N	-1	0	278.280	0.781	20	30		CCEDRM
Cc1ncc(C(=O)[N-]S(=O)(=O)CC2(C#N)CC2)c(C)n1	ZINC000793196974	837403220	/nfs/dbraw/zinc/40/32/20/837403220.db2.gz	LLMFISAMPCLNLO-UHFFFAOYSA-N	-1	0	294.336	0.457	20	30		CCEDRM
C=C[C@@H](CO)Nc1ccc2c(c1)S(=O)(=O)[N-]C2=O	ZINC001169784022	836444832	/nfs/dbraw/zinc/44/48/32/836444832.db2.gz	LAEUCZDOWWWYCJ-ZETCQYMHSA-N	-1	0	268.294	0.078	20	30		CCEDRM
CN(C(=O)[C@H](CC#N)c1ccccc1)c1nnn[n-]1	ZINC001131169109	838012080	/nfs/dbraw/zinc/01/20/80/838012080.db2.gz	AKDPVUANAFBQDY-SNVBAGLBSA-N	-1	0	256.269	0.860	20	30		CCEDRM
CC#CCS(=O)(=O)[N-]C(=O)c1ccnn1C(C)C	ZINC000810778227	838406091	/nfs/dbraw/zinc/40/60/91/838406091.db2.gz	PZMWOHRIYRQDHI-UHFFFAOYSA-N	-1	0	269.326	0.547	20	30		CCEDRM
N#CCCCC(=O)[N-]S(=O)(=O)C[C@H]1CCCOC1	ZINC000813098822	838675650	/nfs/dbraw/zinc/67/56/50/838675650.db2.gz	SUIBUUNXBMHPTO-JTQLQIEISA-N	-1	0	274.342	0.553	20	30		CCEDRM
CN(Cc1ccccc1O)c1[n-]c(=O)n(C)c(=O)c1C#N	ZINC001185838423	844465034	/nfs/dbraw/zinc/46/50/34/844465034.db2.gz	HTXHWXQMMXQZJD-UHFFFAOYSA-N	-1	0	286.291	0.287	20	30		CCEDRM
CO[C@H]1CCC[C@@H]1C(=O)Nc1nc(C#N)c(C#N)[n-]1	ZINC001143815085	839882954	/nfs/dbraw/zinc/88/29/54/839882954.db2.gz	MGRQAPYTIFSEDU-XVKPBYJWSA-N	-1	0	259.269	0.907	20	30		CCEDRM
C=CCC(C)(C)C(=O)N[C@@H]1C(=O)N(S(=O)(=O)[O-])[C@H]1C	ZINC001144076771	839929378	/nfs/dbraw/zinc/92/93/78/839929378.db2.gz	NCOYOLQUFGNRLW-YUMQZZPRSA-N	-1	0	290.341	0.107	20	30		CCEDRM
C#CCO[N-]C(=O)[C@@H]1Cc2cc(F)ccc2NC1=O	ZINC001147032485	840475112	/nfs/dbraw/zinc/47/51/12/840475112.db2.gz	BAQYSXDTFKQSBJ-SNVBAGLBSA-N	-1	0	262.240	0.618	20	30		CCEDRM
Cc1ncc(CO)c(C(=O)NC2=CC(=O)CCC2)c1[O-]	ZINC001147842785	840696719	/nfs/dbraw/zinc/69/67/19/840696719.db2.gz	NCIUWLIMQOVTDL-UHFFFAOYSA-N	-1	0	276.292	0.955	20	30		CCEDRM
N#Cc1cnc2ccnn2c1[N-]S(=O)(=O)c1ccco1	ZINC001186811614	844605006	/nfs/dbraw/zinc/60/50/06/844605006.db2.gz	CWWYVKAMULVHJE-UHFFFAOYSA-N	-1	0	289.276	0.995	20	30		CCEDRM
C#Cc1cc(NC(=O)C(F)(F)C(F)(F)C(=O)[O-])ccn1	ZINC001180171546	843115555	/nfs/dbraw/zinc/11/55/55/843115555.db2.gz	WQIJLGPIKJTVGQ-UHFFFAOYSA-N	-1	0	290.172	0.779	20	30		CCEDRM
CCOCCS(=O)(=O)[N-]c1cc(C#N)ccn1	ZINC001187237109	844674332	/nfs/dbraw/zinc/67/43/32/844674332.db2.gz	DYTXNZBHFCNXKG-UHFFFAOYSA-N	-1	0	255.299	0.731	20	30		CCEDRM
CCOCCS(=O)(=O)[N-]c1onc(C)c1C#N	ZINC001187238048	844676132	/nfs/dbraw/zinc/67/61/32/844676132.db2.gz	PPVCPZJCWDQXJN-UHFFFAOYSA-N	-1	0	259.287	0.633	20	30		CCEDRM
COC(=O)CCS(=O)(=O)[N-]c1ccc(OC)cc1C#N	ZINC001188380851	844876767	/nfs/dbraw/zinc/87/67/67/844876767.db2.gz	IQCUUFGSGDTUNA-UHFFFAOYSA-N	-1	0	298.320	0.872	20	30		CCEDRM
O=S(=O)([N-]CCS)c1ncc(F)cc1F	ZINC001190190121	845347675	/nfs/dbraw/zinc/34/76/75/845347675.db2.gz	QTWKHMVVVURRIN-UHFFFAOYSA-N	-1	0	254.283	0.568	20	30		CCEDRM
Cc1nc(C[N-]S(=O)(=O)c2cc(C#N)ccc2F)no1	ZINC001190610905	845446865	/nfs/dbraw/zinc/44/68/65/845446865.db2.gz	FYCGKNRTBKKVOP-UHFFFAOYSA-N	-1	0	296.283	0.867	20	30		CCEDRM
N#CCS(=O)(=O)[N-]c1nc2ncccc2cc1C#N	ZINC001192934780	845940511	/nfs/dbraw/zinc/94/05/11/845940511.db2.gz	FYUCGSUIMMQBCN-UHFFFAOYSA-N	-1	0	273.277	0.767	20	30		CCEDRM
COc1ccc(C(N)=O)c([N-]S(=O)(=O)CC#N)c1	ZINC001192982537	845943867	/nfs/dbraw/zinc/94/38/67/845943867.db2.gz	RQEPIHFOFBDWQN-UHFFFAOYSA-N	-1	0	269.282	0.059	20	30		CCEDRM
COc1cc(CO)cc([N-]S(=O)(=O)CC#N)c1	ZINC001192985975	845945265	/nfs/dbraw/zinc/94/52/65/845945265.db2.gz	RHAOMBRQPLSFST-UHFFFAOYSA-N	-1	0	256.283	0.453	20	30		CCEDRM
COC(=O)[C@@H]([N-]S(=O)(=O)CC#N)c1cccc(F)c1	ZINC001192993752	845948122	/nfs/dbraw/zinc/94/81/22/845948122.db2.gz	FNOCUXQBLVGRKY-JTQLQIEISA-N	-1	0	286.284	0.483	20	30		CCEDRM
COC(=O)c1cc(C#N)cc(C)c1[N-]S(=O)(=O)CC#N	ZINC001192988891	845948624	/nfs/dbraw/zinc/94/86/24/845948624.db2.gz	RUWVFIYFCLLKIN-UHFFFAOYSA-N	-1	0	293.304	0.919	20	30		CCEDRM
N#CCS(=O)(=O)Nc1cccc(S(=O)(=O)[O-])c1	ZINC001192972079	845957428	/nfs/dbraw/zinc/95/74/28/845957428.db2.gz	JGXYLXIFNKMGTR-UHFFFAOYSA-N	-1	0	276.295	0.199	20	30		CCEDRM
CC(=O)Nc1ccccc1[N-]S(=O)(=O)CC#N	ZINC001192979012	845961288	/nfs/dbraw/zinc/96/12/88/845961288.db2.gz	TZYREJCTWKLGRY-UHFFFAOYSA-N	-1	0	253.283	0.910	20	30		CCEDRM
C[C@H](C#N)S(=O)(=O)[N-]c1nn(C)c2ncccc12	ZINC001193104327	845978495	/nfs/dbraw/zinc/97/84/95/845978495.db2.gz	HPLNFSVZXSETBU-SSDOTTSWSA-N	-1	0	265.298	0.622	20	30		CCEDRM
C[C@H](C#N)S(=O)(=O)[N-]c1ncccc1CCO	ZINC001193110835	845980468	/nfs/dbraw/zinc/98/04/68/845980468.db2.gz	CAGFWTRZJWWFAY-MRVPVSSYSA-N	-1	0	255.299	0.270	20	30		CCEDRM
COC(=O)Cc1ccc(O)c([N-]S(=O)(=O)[C@H](C)C#N)c1	ZINC001193145729	846004895	/nfs/dbraw/zinc/00/48/95/846004895.db2.gz	AJIGWMSALMTNLT-MRVPVSSYSA-N	-1	0	298.320	0.761	20	30		CCEDRM
C[C@@H](C#N)S(=O)(=O)Nc1ccc(S(=O)(=O)[O-])cc1	ZINC001193151523	846006497	/nfs/dbraw/zinc/00/64/97/846006497.db2.gz	RQIVBCSPRIXDDF-ZETCQYMHSA-N	-1	0	290.322	0.587	20	30		CCEDRM
C[C@H](C#N)S(=O)(=O)[N-]c1ccc(CO)c(F)c1	ZINC001193160902	846009947	/nfs/dbraw/zinc/00/99/47/846009947.db2.gz	KJRBCLYZPNECGR-SSDOTTSWSA-N	-1	0	258.274	0.972	20	30		CCEDRM
CCCCCOC(=O)CNS(=O)(=O)[C@H](C)C#N	ZINC001193194921	846013062	/nfs/dbraw/zinc/01/30/62/846013062.db2.gz	WPEBEFOFNMVFKX-SECBINFHSA-N	-1	0	262.331	0.551	20	30		CCEDRM
N#Cc1cnn2c1ncc(C#N)c2NC(=O)c1cc(=O)[nH][n-]1	ZINC001193461579	846082954	/nfs/dbraw/zinc/08/29/54/846082954.db2.gz	PPHBECRIIASBRC-UHFFFAOYSA-N	-1	0	294.234	0.154	20	30		CCEDRM
C[C@H]1CN(C)C(=O)CN1C(=O)c1ccc([O-])c(C#N)c1	ZINC001193503652	846099941	/nfs/dbraw/zinc/09/99/41/846099941.db2.gz	BQCGCVSMPMZDEC-VIFPVBQESA-N	-1	0	273.292	0.567	20	30		CCEDRM
CN1CCO[C@@H](CNC(=O)c2ccc([O-])c(C#N)c2)C1	ZINC001193512547	846103277	/nfs/dbraw/zinc/10/32/77/846103277.db2.gz	OQGABEQCAZCSGG-LBPRGKRZSA-N	-1	0	275.308	0.324	20	30		CCEDRM
Cc1cnc(NC(=O)c2ccc([O-])c(C#N)c2)c(=O)[nH]1	ZINC001193518870	846103486	/nfs/dbraw/zinc/10/34/86/846103486.db2.gz	JFNDFOVXLONMAW-UHFFFAOYSA-N	-1	0	270.248	0.908	20	30		CCEDRM
Cn1ccnc1S(=O)(=O)[N-]c1cccc(C#N)n1	ZINC001193557344	846118757	/nfs/dbraw/zinc/11/87/57/846118757.db2.gz	PXFKRAREDSBSIT-UHFFFAOYSA-N	-1	0	263.282	0.488	20	30		CCEDRM
N#Cc1cccc(C(=O)N2CC(N3CC(F)C3)C2)c1[O-]	ZINC001193634926	846131832	/nfs/dbraw/zinc/13/18/32/846131832.db2.gz	MKZCFMQPZKEMTF-UHFFFAOYSA-N	-1	0	275.283	0.742	20	30		CCEDRM
N#Cc1cccc(C(=O)N2CCOC[C@@H]2C#N)c1[O-]	ZINC001193646382	846138905	/nfs/dbraw/zinc/13/89/05/846138905.db2.gz	IPLMCCPPQURUGX-JTQLQIEISA-N	-1	0	257.249	0.628	20	30		CCEDRM
N#Cc1cccc(C(=O)NC[C@H]2CNC(=O)O2)c1[O-]	ZINC001193660038	846140206	/nfs/dbraw/zinc/14/02/06/846140206.db2.gz	RYZOCYLGIGOIHP-QMMMGPOBSA-N	-1	0	261.237	0.102	20	30		CCEDRM
N#Cc1cccc(C(=O)NC2CN(C3COC3)C2)c1[O-]	ZINC001193659012	846140516	/nfs/dbraw/zinc/14/05/16/846140516.db2.gz	IULJAHQFVMRFPH-UHFFFAOYSA-N	-1	0	273.292	0.077	20	30		CCEDRM
C#Cc1nccnc1[N-]S(=O)(=O)c1ccccc1N	ZINC001193893010	846176072	/nfs/dbraw/zinc/17/60/72/846176072.db2.gz	NRFTUHNUHWIYMA-UHFFFAOYSA-N	-1	0	274.305	0.841	20	30		CCEDRM
COC(=O)c1cc(C(=O)Nc2[nH]ccc2C#N)n[n-]1	ZINC001194284142	846266882	/nfs/dbraw/zinc/26/68/82/846266882.db2.gz	SJWJHFJTRXLHDK-UHFFFAOYSA-N	-1	0	259.225	0.648	20	30		CCEDRM
N#Cc1ccc(C(=O)N2CCNC[C@@H]2C#N)c([O-])c1	ZINC001195740344	846619131	/nfs/dbraw/zinc/61/91/31/846619131.db2.gz	DCONBBKEEYTIRC-JTQLQIEISA-N	-1	0	256.265	0.201	20	30		CCEDRM
C#Cc1ccccc1[N-]S(=O)(=O)CC(=O)OCC	ZINC001195975200	846657030	/nfs/dbraw/zinc/65/70/30/846657030.db2.gz	XGLFWDVLUMQTSL-UHFFFAOYSA-N	-1	0	267.306	0.973	20	30		CCEDRM
CCOC(=O)CS(=O)(=O)[N-]c1c(O)cccc1C#N	ZINC001195974769	846657070	/nfs/dbraw/zinc/65/70/70/846657070.db2.gz	KOKASCNQIQVYJO-UHFFFAOYSA-N	-1	0	284.293	0.569	20	30		CCEDRM
N#Cc1cccnc1C(=O)n1[n-]c2ccnc(=O)c-2c1N	ZINC001196563352	846767753	/nfs/dbraw/zinc/76/77/53/846767753.db2.gz	FBVSHROCZSELEC-UHFFFAOYSA-N	-1	0	280.247	0.214	20	30		CCEDRM
N#Cc1ccc(-c2ccc(C(=O)N[C@@H]3CO[N-]C3=O)o2)cc1	ZINC001197401385	846901171	/nfs/dbraw/zinc/90/11/71/846901171.db2.gz	LZNLJTFKSMJZNP-LLVKDONJSA-N	-1	0	297.270	0.978	20	30		CCEDRM
C#Cc1nccnc1[N-]S(=O)(=O)c1cc(C)ccn1	ZINC001197964053	847010703	/nfs/dbraw/zinc/01/07/03/847010703.db2.gz	YYZAQSXKDDHDMV-UHFFFAOYSA-N	-1	0	274.305	0.962	20	30		CCEDRM
Cc1ccc(S(=O)(=O)[N-]c2ccnc(C#N)c2)cn1	ZINC001198273221	847084444	/nfs/dbraw/zinc/08/44/44/847084444.db2.gz	VTBVSVXWPLANQA-UHFFFAOYSA-N	-1	0	274.305	0.879	20	30		CCEDRM
Cc1nc(C#N)c([N-]S(=O)(=O)c2cnc(C)n2C)o1	ZINC001198356230	847102271	/nfs/dbraw/zinc/10/22/71/847102271.db2.gz	NWDGKNXSKPHKJQ-UHFFFAOYSA-N	-1	0	281.297	0.697	20	30		CCEDRM
C=CCNC(=S)N[C@@H](CCC(=O)[O-])C(=O)OC	ZINC001200297012	847600909	/nfs/dbraw/zinc/60/09/09/847600909.db2.gz	BMRCBFRIXOUCEK-ZETCQYMHSA-N	-1	0	260.315	0.043	20	30		CCEDRM
COC(=O)CCCS(=O)(=O)[N-]c1cc(C)cnc1C#N	ZINC001201904938	847830820	/nfs/dbraw/zinc/83/08/20/847830820.db2.gz	AUEFOUCMFNBSEM-UHFFFAOYSA-N	-1	0	297.336	0.957	20	30		CCEDRM
C=CC[C@H](NC(=O)NCc1nccn1C)C(=O)[O-]	ZINC000161891156	847883786	/nfs/dbraw/zinc/88/37/86/847883786.db2.gz	DUNWVGQMITZWTQ-QMMMGPOBSA-N	-1	0	252.274	0.249	20	30		CCEDRM
C=C[C@@H](CO)NS(=O)(=O)c1ccc(CCC(=O)[O-])cc1	ZINC000717438459	848371378	/nfs/dbraw/zinc/37/13/78/848371378.db2.gz	ZARFZTJVHNBAKS-NSHDSACASA-N	-1	0	299.348	0.529	20	30		CCEDRM
CN1C[C@@H]2COC[C@H](C1)N2C(=O)c1ccc([O-])c(C#N)c1	ZINC001275707857	848796637	/nfs/dbraw/zinc/79/66/37/848796637.db2.gz	AZUUAKSIFUMFQM-BETUJISGSA-N	-1	0	287.319	0.419	20	30		CCEDRM
Cc1[nH]nc(C(=O)N2CC[C@@]3(CCN(CC#N)C3)C2)c1[O-]	ZINC001041208944	850402467	/nfs/dbraw/zinc/40/24/67/850402467.db2.gz	YCTHWQNQYRBPGQ-CQSZACIVSA-N	-1	0	289.339	0.485	20	30		CCEDRM
N#Cc1cnc([N-]S(=O)(=O)c2ccccn2)cn1	ZINC001259281236	851106146	/nfs/dbraw/zinc/10/61/46/851106146.db2.gz	QHLDBMPPBBSKAJ-UHFFFAOYSA-N	-1	0	261.266	0.544	20	30		CCEDRM
C=CCS(=O)(=O)[N-]c1ccc(Cl)nc1C(N)=O	ZINC001259922235	851645358	/nfs/dbraw/zinc/64/53/58/851645358.db2.gz	UQDIERHBIQZNRH-UHFFFAOYSA-N	-1	0	275.717	0.762	20	30		CCEDRM
Cc1ccc([N-]S(=O)(=O)CS(C)(=O)=O)c(C#N)c1	ZINC001260590801	852127137	/nfs/dbraw/zinc/12/71/37/852127137.db2.gz	ICSFXKWDNFXGGC-UHFFFAOYSA-N	-1	0	288.350	0.611	20	30		CCEDRM
C#CCC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1[nH]nc(C)c1[O-])C2	ZINC001096960161	852471117	/nfs/dbraw/zinc/47/11/17/852471117.db2.gz	DRNGSNHZTKHMLH-UTUOFQBUSA-N	-1	0	288.351	0.782	20	30		CCEDRM
N#Cc1cn(CCC(=O)N[C@@H]2C=CCCC2)c(=O)[n-]c1=O	ZINC001137373044	853145613	/nfs/dbraw/zinc/14/56/13/853145613.db2.gz	NVHBBUUVONEJKN-LLVKDONJSA-N	-1	0	288.307	0.436	20	30		CCEDRM
C#CC[N@@H+](C)CCCNC(=O)N([C@H](C)C(=O)[O-])C1CC1	ZINC000383442697	853859296	/nfs/dbraw/zinc/85/92/96/853859296.db2.gz	YQSZTCKOQBQPNL-LLVKDONJSA-N	-1	0	281.356	0.589	20	30		CCEDRM
C#CC[C@H](NC(=O)CCCCCNC(C)=O)C(=O)[O-]	ZINC000149566522	853986909	/nfs/dbraw/zinc/98/69/09/853986909.db2.gz	YHANAHZAIRLRMB-NSHDSACASA-N	-1	0	268.313	0.276	20	30		CCEDRM
C#CC[C@H](NC(=O)[C@H](C)NC(=O)c1ccccc1)C(=O)[O-]	ZINC000149554961	853986985	/nfs/dbraw/zinc/98/69/85/853986985.db2.gz	RYFAYGUCIYJMOW-JQWIXIFHSA-N	-1	0	288.303	0.398	20	30		CCEDRM
C#CC[C@@H](NC(=O)CCNC(=O)c1cccs1)C(=O)[O-]	ZINC000149581280	853989321	/nfs/dbraw/zinc/98/93/21/853989321.db2.gz	OVGMBZWVXSZNLD-SECBINFHSA-N	-1	0	294.332	0.461	20	30		CCEDRM
C#CC[C@H](NC(=O)Cc1c(C)noc1C)C(=O)[O-]	ZINC000149864565	854004485	/nfs/dbraw/zinc/00/44/85/854004485.db2.gz	RWPIMDGIWYXJKA-JTQLQIEISA-N	-1	0	250.254	0.427	20	30		CCEDRM
C#CCN(CC(=O)[O-])S(=O)(=O)Cc1ccccc1F	ZINC000396562466	854367613	/nfs/dbraw/zinc/36/76/13/854367613.db2.gz	YQWSTGADIQXVQO-UHFFFAOYSA-N	-1	0	285.296	0.675	20	30		CCEDRM
C=CCC[C@@H](NS(=O)(=O)[C@@H](C)COC)C(=O)[O-]	ZINC000399668568	854520940	/nfs/dbraw/zinc/52/09/40/854520940.db2.gz	QWJJXQGQHAKCDC-DTWKUNHWSA-N	-1	0	265.331	0.360	20	30		CCEDRM
CC1=CC(=O)C(=C([O-])C=Cc2cnnn2C)C(=O)O1	ZINC001116219148	855732578	/nfs/dbraw/zinc/73/25/78/855732578.db2.gz	CHZVEZNCYJTBLG-PGLGOXFNSA-N	-1	0	261.237	0.043	20	30		CCEDRM
N#CCSCC(=O)N1CCSC[C@@H]1c1nnn[n-]1	ZINC001116744880	855824937	/nfs/dbraw/zinc/82/49/37/855824937.db2.gz	WNAQWLKCWWTBBO-SSDOTTSWSA-N	-1	0	284.370	0.073	20	30		CCEDRM
O=C([O-])c1csc(C=Nn2c(=O)cn[nH]c2=S)c1	ZINC001116795391	855837737	/nfs/dbraw/zinc/83/77/37/855837737.db2.gz	GJZGVJWXEQVWRW-UHFFFAOYSA-N	-1	0	282.306	0.569	20	30		CCEDRM
N#CCCCS(=O)(=O)[N-]C(=O)CCc1cnccn1	ZINC001116880428	855856473	/nfs/dbraw/zinc/85/64/73/855856473.db2.gz	HMJWMYMOTKBIFL-UHFFFAOYSA-N	-1	0	282.325	0.159	20	30		CCEDRM
C=CC[C@H](NC(=O)[C@@H](C)OCCOCC)C(=O)[O-]	ZINC001116906168	855862637	/nfs/dbraw/zinc/86/26/37/855862637.db2.gz	GJZXBIHLLWKMGH-ZJUUUORDSA-N	-1	0	259.302	0.574	20	30		CCEDRM
N#CCCCCNC(=O)C(=O)[N-]OCCC(F)(F)F	ZINC001117266164	855934330	/nfs/dbraw/zinc/93/43/30/855934330.db2.gz	JAGLIXSLZNQXGU-UHFFFAOYSA-N	-1	0	281.234	0.797	20	30		CCEDRM
Cn1[n-]c(C(=O)NCC2CCN(CC#N)CC2)cc1=O	ZINC001118692028	856396505	/nfs/dbraw/zinc/39/65/05/856396505.db2.gz	KRQRYCKOSUDGFP-UHFFFAOYSA-N	-1	0	277.328	0.091	20	30		CCEDRM
CN(C)c1ncc(CN[C@H]2CCCN(O)C2=O)s1	ZINC001119450745	856689093	/nfs/dbraw/zinc/68/90/93/856689093.db2.gz	XEACWORWBYCBSQ-VIFPVBQESA-N	-1	0	270.358	0.679	20	30		CCEDRM
CC#CCS(=O)(=O)[N-]C(=O)c1cncc(C(C)=O)c1	ZINC001119487096	856704101	/nfs/dbraw/zinc/70/41/01/856704101.db2.gz	HHACEBNDCXKKGV-UHFFFAOYSA-N	-1	0	280.305	0.367	20	30		CCEDRM
N#CCn1cc(NC(=O)C(=O)[N-]OCCC2CC2)cn1	ZINC001324531709	912891377	/nfs/dbraw/zinc/89/13/77/912891377.db2.gz	DMDDAUWZWNDQTO-UHFFFAOYSA-N	-1	0	277.284	0.193	20	30		CCEDRM
C=CCOc1cccnc1C(=O)[N-]S(=O)(=O)N(C)C	ZINC001324888525	913083791	/nfs/dbraw/zinc/08/37/91/913083791.db2.gz	XLIZIEFDCAVCHP-UHFFFAOYSA-N	-1	0	285.325	0.183	20	30		CCEDRM
C=CCN(CC(=O)[O-])C(=O)NCc1cnc(C)o1	ZINC000397858737	891557754	/nfs/dbraw/zinc/55/77/54/891557754.db2.gz	CJFKHNHZFRIGJE-UHFFFAOYSA-N	-1	0	253.258	0.765	20	30		CCEDRM
C=CCC(C)(C)C(=O)N[C@H]1CCN(Cc2n[nH]c(=O)[n-]2)C1	ZINC001481694177	893014288	/nfs/dbraw/zinc/01/42/88/893014288.db2.gz	TXRKQONAXSXIAP-JTQLQIEISA-N	-1	0	293.371	0.803	20	30		CCEDRM
Cc1cc(C#N)c(=O)[n-]c1C(=O)NCC1OCCCO1	ZINC001362505266	893583866	/nfs/dbraw/zinc/58/38/66/893583866.db2.gz	SAIWZDNFRLSYGS-UHFFFAOYSA-N	-1	0	277.280	0.460	20	30		CCEDRM
N#CCNCC=CCNC(=O)c1n[n-]c2ccccc2c1=O	ZINC001483066383	894871489	/nfs/dbraw/zinc/87/14/89/894871489.db2.gz	VHXUIKOTWKUVOR-ARJAWSKDSA-N	-1	0	297.318	0.735	20	30		CCEDRM
Cc1nnsc1C(=O)Nc1nc(C#N)c(C#N)[n-]1	ZINC001326393452	913928803	/nfs/dbraw/zinc/92/88/03/913928803.db2.gz	IFKQLENELPJQFW-UHFFFAOYSA-N	-1	0	259.254	0.565	20	30		CCEDRM
C=C(C)CO[N-]C(=O)C(=O)Nc1cc[nH]c1C(=O)OCC	ZINC001326484006	913980790	/nfs/dbraw/zinc/98/07/90/913980790.db2.gz	MIOFPNFAXPSURL-UHFFFAOYSA-N	-1	0	295.295	0.754	20	30		CCEDRM
C=CCOC[C@@H](CS(=O)(=O)[O-])O[C@H](C)C(C)=O	ZINC001205239838	897717906	/nfs/dbraw/zinc/71/79/06/897717906.db2.gz	FUOLOTQFUOOJHS-ZJUUUORDSA-N	-1	0	266.315	0.440	20	30		CCEDRM
C=C[C@H](C)O[N-]C(=O)C(=O)Nc1ccc(=O)n(CC)c1	ZINC001326800702	914186686	/nfs/dbraw/zinc/18/66/86/914186686.db2.gz	NHYPVHXFNLAPNG-VIFPVBQESA-N	-1	0	279.296	0.429	20	30		CCEDRM
C=CC[C@H](NC(=O)c1ccc([N+](=O)[O-])cn1)C(=O)[O-]	ZINC001327013363	914311384	/nfs/dbraw/zinc/31/13/84/914311384.db2.gz	KOPUFZJCMQIAEX-VIFPVBQESA-N	-1	0	265.225	0.749	20	30		CCEDRM
Cc1n[nH]c(C(=O)N[C@H](C)CCNC(=O)[C@H](C)C#N)c1[O-]	ZINC001397852176	914410264	/nfs/dbraw/zinc/41/02/64/914410264.db2.gz	HNQIQZJKYLRDMU-HTQZYQBOSA-N	-1	0	293.327	0.208	20	30		CCEDRM
Cc1cc(C#N)c(=O)[n-]c1C(=O)NCc1cccc(=O)[nH]1	ZINC001411955227	901357370	/nfs/dbraw/zinc/35/73/70/901357370.db2.gz	SFJOJYCSQBIEPA-UHFFFAOYSA-N	-1	0	284.275	0.998	20	30		CCEDRM
CN=[S@@](C)(=O)CCNC(=O)c1[n-]c(=O)c(C#N)cc1C	ZINC001412382137	901677335	/nfs/dbraw/zinc/67/73/35/901677335.db2.gz	WVKURYFTPYZYQU-FQEVSTJZSA-N	-1	0	296.352	0.425	20	30		CCEDRM
N#Cc1cccc(C(=O)N2CCC3(C[C@H]3C(N)=O)CC2)c1[O-]	ZINC001276215949	901974454	/nfs/dbraw/zinc/97/44/54/901974454.db2.gz	SOQQSZWJHZWTGE-LBPRGKRZSA-N	-1	0	299.330	0.991	20	30		CCEDRM
N#CCC1CCN(C(=O)c2c[n-]n3c2nccc3=O)CC1	ZINC001412819772	902146010	/nfs/dbraw/zinc/14/60/10/902146010.db2.gz	YONIYVVPJZUSMK-UHFFFAOYSA-N	-1	0	285.307	0.788	20	30		CCEDRM
Cc1cc(C#N)c(=O)[n-]c1C(=O)N1CC(C(C)(C)O)C1	ZINC001412843628	902293849	/nfs/dbraw/zinc/29/38/49/902293849.db2.gz	LEROZQJPWAVJFV-UHFFFAOYSA-N	-1	0	275.308	0.810	20	30		CCEDRM
C=C(C)CO[N-]C(=O)C(=O)Nc1ccnn1[C@H]1CCOC1	ZINC001337374173	921243044	/nfs/dbraw/zinc/24/30/44/921243044.db2.gz	CUNBXFBKRJIHCZ-JTQLQIEISA-N	-1	0	294.311	0.407	20	30		CCEDRM
Cn1c(=O)[n-]c(N2C[C@@H]3[C@H](C2)C3(C)C)c(C#N)c1=O	ZINC001337788487	921293097	/nfs/dbraw/zinc/29/30/97/921293097.db2.gz	QMVJBFMUUJAUQL-DTORHVGOSA-N	-1	0	260.297	0.037	20	30		CCEDRM
C#C[C@@H](C)N(C)c1nnc(-c2cc(=O)[nH]c(C)n2)n1C	ZINC001337964375	921326815	/nfs/dbraw/zinc/32/68/15/921326815.db2.gz	FLPNXJABFWJROH-MRVPVSSYSA-N	-1	0	272.312	0.744	20	30		CCEDRM
CC(C)C(=O)N[C@@H](CO)C(=O)[N-]Oc1cccc(C#N)c1	ZINC001302373351	908018441	/nfs/dbraw/zinc/01/84/41/908018441.db2.gz	FZJDAOOZPCQLAF-LBPRGKRZSA-N	-1	0	291.307	0.101	20	30		CCEDRM
Cc1cc(C)n(CC(=O)[N-]Oc2cccc(C#N)c2)c(=O)n1	ZINC001302373700	908018994	/nfs/dbraw/zinc/01/89/94/908018994.db2.gz	KSGRWLDPDTZNGR-UHFFFAOYSA-N	-1	0	298.302	0.842	20	30		CCEDRM
CC(C)(C)C#CC(=O)N[C@@H]1CCN(Cc2n[nH]c(=O)[n-]2)C1	ZINC001318330736	909709180	/nfs/dbraw/zinc/70/91/80/909709180.db2.gz	DFOKHUSMGHFFMX-SNVBAGLBSA-N	-1	0	291.355	0.250	20	30		CCEDRM
Cc1nnc([S-])n(N=Cc2cnc3ncccn23)c1=O	ZINC001319490393	910177560	/nfs/dbraw/zinc/17/75/60/910177560.db2.gz	PYKVHNONWRACNW-UHFFFAOYSA-N	-1	0	287.308	0.160	20	30		CCEDRM
C=CCn1c(-c2cc(=O)[nH][n-]2)nnc1N(C)C[C@H](C)C#N	ZINC001338945750	921608188	/nfs/dbraw/zinc/60/81/88/921608188.db2.gz	BFXGBBPOIDVDHT-SECBINFHSA-N	-1	0	287.327	0.284	20	30		CCEDRM
C=CC[C@@H](NC(=O)[C@@H](NC(C)=O)C1CCCC1)C(=O)[O-]	ZINC001321202807	911159424	/nfs/dbraw/zinc/15/94/24/911159424.db2.gz	DXNUMFZXZSILMD-NEPJUHHUSA-N	-1	0	282.340	0.827	20	30		CCEDRM
C=CC[C@@H](NC(=O)c1cccn(C)c1=O)C(=O)[O-]	ZINC001321206116	911161581	/nfs/dbraw/zinc/16/15/81/911161581.db2.gz	GHYWAXXPWVHDJR-SECBINFHSA-N	-1	0	250.254	0.144	20	30		CCEDRM
Cc1nocc1C(=O)[N-]S(=O)(=O)CCCC#N	ZINC001329013303	915589369	/nfs/dbraw/zinc/58/93/69/915589369.db2.gz	TXPPZSKHABCXQR-UHFFFAOYSA-N	-1	0	257.271	0.346	20	30		CCEDRM
CC1=CC(=O)C(=C([O-])C=Cc2cn(C)nn2)C(=O)O1	ZINC001329400658	915882987	/nfs/dbraw/zinc/88/29/87/915882987.db2.gz	XGNWJZFAWJDBLG-PGLGOXFNSA-N	-1	0	261.237	0.043	20	30		CCEDRM
C=CCN1CC[C@H]([N@@H+]2CCC[C@H](C(=O)[O-])C2)C1=O	ZINC001330797526	916878491	/nfs/dbraw/zinc/87/84/91/916878491.db2.gz	UOEXRTGBEWXDNI-QWRGUYRKSA-N	-1	0	252.314	0.570	20	30		CCEDRM
C#CCSCC(=O)[N-]S(=O)(=O)c1cnccc1C	ZINC001331493798	917372724	/nfs/dbraw/zinc/37/27/24/917372724.db2.gz	KAIMXNVDSIDHNO-UHFFFAOYSA-N	-1	0	284.362	0.561	20	30		CCEDRM
C#CC[C@@H](CCOC)NC(=O)C(=O)[N-]OCC(C)C	ZINC001331530245	917397903	/nfs/dbraw/zinc/39/79/03/917397903.db2.gz	YNGNQPUKNUSYJF-NSHDSACASA-N	-1	0	270.329	0.235	20	30		CCEDRM
N#Cc1ccc(CC(=O)NCCc2n[n-]c(=S)o2)cn1	ZINC001331708318	917535807	/nfs/dbraw/zinc/53/58/07/917535807.db2.gz	JOLKCLGUDOEBBM-UHFFFAOYSA-N	-1	0	289.320	0.526	20	30		CCEDRM
CC#CCS(=O)(=O)[N-]C(=O)[C@@H]1OC[C@@H]2CCC[C@@H]21	ZINC001331924844	917722213	/nfs/dbraw/zinc/72/22/13/917722213.db2.gz	MILRMJLVOGTJKN-GARJFASQSA-N	-1	0	271.338	0.271	20	30		CCEDRM
C=CCC[C@@H](NC(=O)c1c(C)cnn1C)C(=O)[O-]	ZINC001332172373	917932045	/nfs/dbraw/zinc/93/20/45/917932045.db2.gz	NDBFUOULHIGCHS-SECBINFHSA-N	-1	0	251.286	0.878	20	30		CCEDRM
N#Cc1cccc2c1CN(CC(=O)NCC(=O)[O-])C2	ZINC001332540615	918266629	/nfs/dbraw/zinc/26/66/29/918266629.db2.gz	XFJDDASGMFHFNP-UHFFFAOYSA-N	-1	0	259.265	0.075	20	30		CCEDRM
C=CC[C@H](NC(=O)[C@H]1CCc2nnc(C)n2C1)C(=O)[O-]	ZINC001332613615	918312380	/nfs/dbraw/zinc/31/23/80/918312380.db2.gz	LBZSEUVETJHOPR-UWVGGRQHSA-N	-1	0	278.312	0.294	20	30		CCEDRM
O=C([O-])Cn1cc(C=NNC2CCSCC2)nn1	ZINC001333654286	919076078	/nfs/dbraw/zinc/07/60/78/919076078.db2.gz	MAWAHCSHGRIDQE-UHFFFAOYSA-N	-1	0	269.330	0.182	20	30		CCEDRM
C=CCC[C@@H](NCc1nnn(C(C)(C)C)n1)C(=O)[O-]	ZINC001334776972	919760784	/nfs/dbraw/zinc/76/07/84/919760784.db2.gz	MXGLZZOJGARYNY-SECBINFHSA-N	-1	0	267.333	0.937	20	30		CCEDRM
C=CC[C@H](NC(=O)Cc1nc(CC)c[nH]1)C(=O)[O-]	ZINC001334980826	919880987	/nfs/dbraw/zinc/88/09/87/919880987.db2.gz	MBXPNMXREQBBKI-VIFPVBQESA-N	-1	0	251.286	0.660	20	30		CCEDRM
C=CC[C@H](NC(=O)c1cn(C)nc1OC)C(=O)[O-]	ZINC001334981363	919881518	/nfs/dbraw/zinc/88/15/18/919881518.db2.gz	UUOPEZRZCCCOMT-QMMMGPOBSA-N	-1	0	253.258	0.188	20	30		CCEDRM
C=CCC1(C(=O)NC[C@H]2CCO[C@H]2C(=O)[O-])CCOCC1	ZINC001335429542	920188881	/nfs/dbraw/zinc/18/88/81/920188881.db2.gz	CPLPJMFRKXTCLO-VXGBXAGGSA-N	-1	0	297.351	0.965	20	30		CCEDRM
CC(C)[C@@H]1CCN(c2[n-]c(=O)n(C)c(=O)c2C#N)C1	ZINC001336544914	920824812	/nfs/dbraw/zinc/82/48/12/920824812.db2.gz	JLQZKVWWBSDFFU-SECBINFHSA-N	-1	0	262.313	0.428	20	30		CCEDRM
C=CCOCCNC(=O)N1C[C@@H](C(=O)[O-])[C@H](C2CC2)C1	ZINC001336871379	921070433	/nfs/dbraw/zinc/07/04/33/921070433.db2.gz	IFUXUUUNDDBYBQ-NWDGAFQWSA-N	-1	0	282.340	0.941	20	30		CCEDRM
C=CC[C@H]1CCCN(c2nnc(-c3cc(=O)[nH][n-]3)n2C)C1	ZINC001339749382	921815350	/nfs/dbraw/zinc/81/53/50/921815350.db2.gz	VZSVZMGKYBYDGU-JTQLQIEISA-N	-1	0	288.355	0.832	20	30		CCEDRM
CC1(C)OC[C@H]2C[C@]21C(=O)Nc1nc(C#N)c(C#N)[n-]1	ZINC001418240273	921953213	/nfs/dbraw/zinc/95/32/13/921953213.db2.gz	ZXGMHSDGNLNYGC-FUXBKTLASA-N	-1	0	271.280	0.907	20	30		CCEDRM
C=C[C@H](CO)NC(=O)N[C@@H](C)[C@@H]1C[C@H](C(=O)[O-])C1(C)C	ZINC001340567186	922125864	/nfs/dbraw/zinc/12/58/64/922125864.db2.gz	QVPYPYRAKSEXQK-ZRUFSTJUSA-N	-1	0	284.356	0.968	20	30		CCEDRM
N#Cc1ccc2c(c1)C[C@@H](NC(=O)c1c[n-]ncc1=O)C2	ZINC001418996556	922555481	/nfs/dbraw/zinc/55/54/81/922555481.db2.gz	CHKHNJWGGOLLOA-LBPRGKRZSA-N	-1	0	280.287	0.951	20	30		CCEDRM
C=C(C)Cn1c(-c2nn[nH]n2)nnc1N1CC(C)(OC)C1	ZINC001342533538	922993858	/nfs/dbraw/zinc/99/38/58/922993858.db2.gz	TZVCORFGBLBGGP-UHFFFAOYSA-N	-1	0	290.331	0.259	20	30		CCEDRM
N#CC(C(=O)NC1CC1)=C([O-])c1cnn2c1OCCC2	ZINC001342613025	923022142	/nfs/dbraw/zinc/02/21/42/923022142.db2.gz	YIUGGGIMJYZFQE-SECBINFHSA-N	-1	0	274.280	0.267	20	30		CCEDRM
CC(C)(/C=C\Cl)NC(=O)Cn1cc(C#N)c(=O)[n-]c1=O	ZINC001419808758	923107056	/nfs/dbraw/zinc/10/70/56/923107056.db2.gz	WSBUWULHLUMQCA-ARJAWSKDSA-N	-1	0	296.714	0.468	20	30		CCEDRM
C#CCN(C)c1nnc(-c2cc(=O)[nH][n-]2)n1CC(C)C	ZINC001343541249	923366032	/nfs/dbraw/zinc/36/60/32/923366032.db2.gz	OTDHVRABWLPZQS-UHFFFAOYSA-N	-1	0	274.328	0.228	20	30		CCEDRM
COc1nn(C)cc1C([O-])=C(C#N)c1nccn1C	ZINC001343705467	923433348	/nfs/dbraw/zinc/43/33/48/923433348.db2.gz	RLMQRKXXHQYLIW-QMMMGPOBSA-N	-1	0	259.269	0.652	20	30		CCEDRM
O=C([O-])c1cc(C=NNCCCN2CCOCC2)c[nH]1	ZINC001343883205	923489913	/nfs/dbraw/zinc/48/99/13/923489913.db2.gz	XCRGFLNNRDUHKD-UHFFFAOYSA-N	-1	0	280.328	0.359	20	30		CCEDRM
Cn1nncc1C([O-])=C(C#N)c1ncc(Cl)n1C	ZINC001345642859	923937137	/nfs/dbraw/zinc/93/71/37/923937137.db2.gz	MPSYOLHLSAMTDD-LURJTMIESA-N	-1	0	264.676	0.692	20	30		CCEDRM
Cn1nncc1C([O-])=C(C#N)c1ncc(Cl)n1C	ZINC001345642860	923938274	/nfs/dbraw/zinc/93/82/74/923938274.db2.gz	MPSYOLHLSAMTDD-ZCFIWIBFSA-N	-1	0	264.676	0.692	20	30		CCEDRM
C=CCNC(=O)C(C#N)=C([O-])c1cnn2ccncc12	ZINC001346076128	924064512	/nfs/dbraw/zinc/06/45/12/924064512.db2.gz	ALXVWLYAVOBORD-VIFPVBQESA-N	-1	0	269.264	0.354	20	30		CCEDRM
Cc1ncccc1CCNc1[n-]c(=O)n(C)c(=O)c1C#N	ZINC001421290675	924259657	/nfs/dbraw/zinc/25/96/57/924259657.db2.gz	JQXZLXAXLSWSCP-UHFFFAOYSA-N	-1	0	285.307	0.303	20	30		CCEDRM
C#CC[C@@H](NC(=O)[C@@H]1C[C@H]1c1ccncc1)C(=O)[O-]	ZINC001349943739	925101747	/nfs/dbraw/zinc/10/17/47/925101747.db2.gz	MJHYYTJAOGULOX-QJPTWQEYSA-N	-1	0	258.277	0.778	20	30		CCEDRM
C#CCN1CCC[C@H]1C(=O)Nc1ncc(CC(=O)[O-])s1	ZINC001350789045	925280694	/nfs/dbraw/zinc/28/06/94/925280694.db2.gz	OCXRXOQKIXWRGT-JTQLQIEISA-N	-1	0	293.348	0.806	20	30		CCEDRM
C=CC[C@H](NC(=O)NCCO[C@@H]1CCOC1)C(=O)[O-]	ZINC001351010962	925335761	/nfs/dbraw/zinc/33/57/61/925335761.db2.gz	QOYJQJQNQYNFPI-ZJUUUORDSA-N	-1	0	272.301	0.120	20	30		CCEDRM
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CC[C@H](c2nnn[n-]2)C1	ZINC001352583946	925603213	/nfs/dbraw/zinc/60/32/13/925603213.db2.gz	GRTNQHMRPZGYQD-DCAQKATOSA-N	-1	0	277.328	0.497	20	30		CCEDRM
N#CCCCC(=O)N1CCC[C@@H](Cc2nnn[n-]2)C1	ZINC001352793897	925643429	/nfs/dbraw/zinc/64/34/29/925643429.db2.gz	OLKMFZHZPIQARZ-JTQLQIEISA-N	-1	0	262.317	0.675	20	30		CCEDRM
C=CC[C@H](NC(=O)C[C@@H](C)n1cccn1)C(=O)[O-]	ZINC001354047096	925995618	/nfs/dbraw/zinc/99/56/18/925995618.db2.gz	LROZLMWPFJZXKS-ZJUUUORDSA-N	-1	0	251.286	0.980	20	30		CCEDRM
Cn1c(=O)[n-]c(NCCCC2CCOCC2)c(C#N)c1=O	ZINC001354205317	926039626	/nfs/dbraw/zinc/03/96/26/926039626.db2.gz	YSXFHCFRCGWIAK-UHFFFAOYSA-N	-1	0	292.339	0.564	20	30		CCEDRM
C=CCn1c(-c2cc(=O)[nH][n-]2)nnc1N(C)[C@@H](C)CC#N	ZINC001356038375	926337216	/nfs/dbraw/zinc/33/72/16/926337216.db2.gz	OBHDFBGTHVFTSW-VIFPVBQESA-N	-1	0	287.327	0.426	20	30		CCEDRM
C#C[C@@H]1CCCN(c2nnc(-c3cc(=O)[nH][n-]3)n2CC=C)C1	ZINC001356038896	926337990	/nfs/dbraw/zinc/33/79/90/926337990.db2.gz	YEWGGNWSRMTLNW-LLVKDONJSA-N	-1	0	298.350	0.538	20	30		CCEDRM
CC(C)OCCCNC(=O)C(C#N)=C([O-])c1ccn(C)n1	ZINC001356220279	926354859	/nfs/dbraw/zinc/35/48/59/926354859.db2.gz	FUEPNHUUFRRIIX-LLVKDONJSA-N	-1	0	292.339	0.674	20	30		CCEDRM
C=CC[C@H](NC(=O)[C@@H]1CCCN1c1ncccn1)C(=O)[O-]	ZINC000150338348	926950547	/nfs/dbraw/zinc/95/05/47/926950547.db2.gz	VIONOXZTJABLRG-QWRGUYRKSA-N	-1	0	290.323	0.591	20	30		CCEDRM
COCCN(CCC#N)C(=O)c1[n-]c(=O)c(C#N)cc1C	ZINC001361909765	927440397	/nfs/dbraw/zinc/44/03/97/927440397.db2.gz	YJNSEARVURBIGO-UHFFFAOYSA-N	-1	0	288.307	0.970	20	30		CCEDRM
Cc1cc(C#N)c(=O)[n-]c1C(=O)NCC(=O)OCC1CC1	ZINC001361983190	927496300	/nfs/dbraw/zinc/49/63/00/927496300.db2.gz	RRIIJRAFBVDABE-UHFFFAOYSA-N	-1	0	289.291	0.650	20	30		CCEDRM
N#CC1(CNC(=O)c2ccc(-n3[nH]c(=O)[n-]c3=O)cc2)CC1	ZINC001362446616	928031742	/nfs/dbraw/zinc/03/17/42/928031742.db2.gz	GTNICORUSLYDJC-UHFFFAOYSA-N	-1	0	299.290	0.300	20	30		CCEDRM
COCC[C@@H](COC)NC(=O)c1[n-]c(=O)c(C#N)cc1C	ZINC001362521994	928131422	/nfs/dbraw/zinc/13/14/22/928131422.db2.gz	YAGCQGSCPJXFFN-NSHDSACASA-N	-1	0	293.323	0.749	20	30		CCEDRM
Cc1cc(C(=O)Nn2c(=O)[n-][nH]c2=O)cc(C)c1C#N	ZINC001362653261	928309589	/nfs/dbraw/zinc/30/95/89/928309589.db2.gz	FVOSSTSZCVVWPF-UHFFFAOYSA-N	-1	0	273.252	0.562	20	30		CCEDRM
Cc1cc(C#N)c(=O)[n-]c1C(=O)N1C[C@H](O)CC[C@H]1C	ZINC001362653926	928310875	/nfs/dbraw/zinc/31/08/75/928310875.db2.gz	VQLYBRGMMRZRBU-MWLCHTKSSA-N	-1	0	275.308	0.953	20	30		CCEDRM
CN(CC(C)(C)C#N)C(=O)c1cccc(-n2[n-]nnc2=N)c1	ZINC001362749414	928444013	/nfs/dbraw/zinc/44/40/13/928444013.db2.gz	OFFBYAYQAABZMG-UHFFFAOYSA-N	-1	0	299.338	0.697	20	30		CCEDRM
Cc1cc(C#N)c(=O)[n-]c1C(=O)N1CCO[C@H]([C@@H](C)O)C1	ZINC001363028894	928780108	/nfs/dbraw/zinc/78/01/08/928780108.db2.gz	JOHLIYNUAKOELV-KOLCDFICSA-N	-1	0	291.307	0.189	20	30		CCEDRM
CC[C@@H](C)[C@H](C)C(=O)NCCn1cc(C#N)c(=O)[n-]c1=O	ZINC001363127966	928899065	/nfs/dbraw/zinc/89/90/65/928899065.db2.gz	JVYTVRQMARJQPR-ZJUUUORDSA-N	-1	0	292.339	0.619	20	30		CCEDRM
Cc1noc(C)c1[C@@H](C)Nc1[n-]c(=O)n(C)c(=O)c1C#N	ZINC001363147125	928919710	/nfs/dbraw/zinc/91/97/10/928919710.db2.gz	BKWJKSHEZHAODP-ZCFIWIBFSA-N	-1	0	289.295	0.723	20	30		CCEDRM
Cn1c(=O)[n-]c(NCC2(CCO)CCCC2)c(C#N)c1=O	ZINC001363148583	928921291	/nfs/dbraw/zinc/92/12/91/928921291.db2.gz	JKXIJDXDYUOQJK-UHFFFAOYSA-N	-1	0	292.339	0.300	20	30		CCEDRM
COc1ccc(Cn2c(=O)[n-]cc(C#N)c2=O)cc1C	ZINC001363184150	928954973	/nfs/dbraw/zinc/95/49/73/928954973.db2.gz	IEONCUBLANZKEX-UHFFFAOYSA-N	-1	0	271.276	0.774	20	30		CCEDRM
COC[C@@H](NC(=O)c1cc(C#N)ccc1C)c1nnn[n-]1	ZINC001363408096	929192240	/nfs/dbraw/zinc/19/22/40/929192240.db2.gz	BHNMJEUGXIMNCQ-LLVKDONJSA-N	-1	0	286.295	0.497	20	30		CCEDRM
N#Cc1cccc2c1CN(C(=O)c1n[nH]c(=O)[n-]c1=O)C2	ZINC001363468477	929272825	/nfs/dbraw/zinc/27/28/25/929272825.db2.gz	JKQYRRMLPQNTQJ-UHFFFAOYSA-N	-1	0	283.247	0.310	20	30		CCEDRM
N#Cc1cn(CCNC(=O)CC2CCC2)c(=O)[n-]c1=O	ZINC001363481177	929286714	/nfs/dbraw/zinc/28/67/14/929286714.db2.gz	FJBDCJZZGSILCY-UHFFFAOYSA-N	-1	0	276.296	0.127	20	30		CCEDRM
C[C@H](NC(=O)[C@H](C)n1cnc(C#N)n1)c1nn(C)cc1[O-]	ZINC001363664282	929467078	/nfs/dbraw/zinc/46/70/78/929467078.db2.gz	JWUQMSUSFSJLAM-YUMQZZPRSA-N	-1	0	289.299	0.027	20	30		CCEDRM
N#Cc1ccc([C@@H](C(N)=O)N2CC[C@@H](c3nn[nH]n3)C2)cc1	ZINC001363812770	929602282	/nfs/dbraw/zinc/60/22/82/929602282.db2.gz	CITICXUCIHXTIR-NEPJUHHUSA-N	-1	0	297.322	0.087	20	30		CCEDRM
C[C@@H]1CCC[C@](C#N)(NC(=O)Cn2c(=O)[n-][nH]c2=O)C1	ZINC001444614242	929915017	/nfs/dbraw/zinc/91/50/17/929915017.db2.gz	UQGGCDONJNLSKH-PELKAZGASA-N	-1	0	279.300	0.278	20	30		CCEDRM
N#Cc1cn(CC(=O)Nc2ccc(O)cc2)c(=O)[n-]c1=O	ZINC001445714075	930225808	/nfs/dbraw/zinc/22/58/08/930225808.db2.gz	BKLJGZQXNAJKPO-UHFFFAOYSA-N	-1	0	286.247	0.165	20	30		CCEDRM
N#C[C@@]1(C(=O)NCc2nc(=O)o[n-]2)CC12CCCC2	ZINC001446621539	930450944	/nfs/dbraw/zinc/45/09/44/930450944.db2.gz	WYMLEMVAZUYNCU-GFCCVEGCSA-N	-1	0	262.269	0.453	20	30		CCEDRM
Cc1nnc([C@@H](C)NC(=O)c2[n-]c(=O)c(C#N)cc2C)[nH]1	ZINC001449099547	931068715	/nfs/dbraw/zinc/06/87/15/931068715.db2.gz	BPHHUOWMKUEETL-SSDOTTSWSA-N	-1	0	286.295	0.885	20	30		CCEDRM
C#CC[C@@H](NC(=O)c1ccc2oc(=O)nc-2[n-]1)C(=O)OC	ZINC001451181521	931394626	/nfs/dbraw/zinc/39/46/26/931394626.db2.gz	PQHZLLILUXZNIH-MRVPVSSYSA-N	-1	0	289.247	0.223	20	30		CCEDRM
CN(CC(=O)[O-])c1cc(N)c([N+](=O)[O-])c(C#N)c1	ZINC001610916123	970786434	/nfs/dbraw/zinc/78/64/34/970786434.db2.gz	AHJUAZLWFYFDLV-UHFFFAOYSA-N	-1	0	250.214	0.569	20	30		CCEDRM
Cc1nn(CCC#N)c(C)c1CCC(=O)N(C)CC(=O)[O-]	ZINC001600783772	970863761	/nfs/dbraw/zinc/86/37/61/970863761.db2.gz	ZRYANCDEQLRVTG-UHFFFAOYSA-N	-1	0	292.339	0.889	20	30		CCEDRM
N#C[C@H]1CCCN(C(=O)c2cnc(C(=O)[O-])cn2)C1	ZINC001601059792	970926245	/nfs/dbraw/zinc/92/62/45/970926245.db2.gz	NKIUTBUFVZCBCY-MRVPVSSYSA-N	-1	0	260.253	0.551	20	30		CCEDRM
C#CCC[C@H](O)CNC(=O)[C@@]1(C(=O)[O-])CC=CCC1	ZINC001602675239	971246559	/nfs/dbraw/zinc/24/65/59/971246559.db2.gz	NOBYFOQIZPTTAF-SMDDNHRTSA-N	-1	0	265.309	0.688	20	30		CCEDRM
C#CCN(CC(=O)[O-])C(=O)C(=O)Nc1cccc(C)c1C#N	ZINC001602679912	971263195	/nfs/dbraw/zinc/26/31/95/971263195.db2.gz	ZKPGHEFVYJDALZ-UHFFFAOYSA-N	-1	0	299.286	0.352	20	30		CCEDRM
C#CCN(CC(=O)[O-])C(=O)[C@@H]1CCCC[C@H]1OC	ZINC001602681984	971264331	/nfs/dbraw/zinc/26/43/31/971264331.db2.gz	CLDXRRXEBZTXSI-GHMZBOCLSA-N	-1	0	253.298	0.738	20	30		CCEDRM
C#CCN(CC(=O)[O-])C(=O)NC1CC(CC(=O)OC)C1	ZINC001602684353	971280835	/nfs/dbraw/zinc/28/08/35/971280835.db2.gz	XLQBDASXARFRQG-UHFFFAOYSA-N	-1	0	282.296	0.058	20	30		CCEDRM
C#CCN(CC(=O)[O-])C(=O)NC[C@H]1CCOC[C@@H]1C	ZINC001602686096	971285127	/nfs/dbraw/zinc/28/51/27/971285127.db2.gz	QDFAEMMWHGQFPP-WDEREUQCSA-N	-1	0	268.313	0.388	20	30		CCEDRM
C#CCN(CC(=O)[O-])C(=O)[C@@H](CC)NC(=O)OC(C)(C)C	ZINC001602688698	971292388	/nfs/dbraw/zinc/29/23/88/971292388.db2.gz	UFEJQSRKYQFKKN-SNVBAGLBSA-N	-1	0	298.339	0.836	20	30		CCEDRM
C#CCN(CC(=O)[O-])C(=O)Nc1ccc(-n2ccnn2)cc1	ZINC001602688827	971292703	/nfs/dbraw/zinc/29/27/03/971292703.db2.gz	XFIXKEHDCFTABL-UHFFFAOYSA-N	-1	0	299.290	0.819	20	30		CCEDRM
C#CCN(CC(=O)[O-])C(=O)c1c2c(nn1C)CCC2	ZINC001602691575	971296624	/nfs/dbraw/zinc/29/66/24/971296624.db2.gz	NAJKADJWDBXKEQ-UHFFFAOYSA-N	-1	0	261.281	0.069	20	30		CCEDRM
C#CCN(CC(=O)[O-])C(=O)c1c(C)[nH]c(C(=O)OC)c1C	ZINC001602691696	971297574	/nfs/dbraw/zinc/29/75/74/971297574.db2.gz	UBMCJLQDPKNKFK-UHFFFAOYSA-N	-1	0	292.291	0.578	20	30		CCEDRM
C#CCN(CC(=O)[O-])C(=O)c1ccc2n[nH]c(=S)n2c1	ZINC001602692068	971299497	/nfs/dbraw/zinc/29/94/97/971299497.db2.gz	DHFAPVMKFCFFFF-UHFFFAOYSA-N	-1	0	290.304	0.178	20	30		CCEDRM
C#CCN(CC(=O)[O-])C(=S)NCc1ccon1	ZINC001602692069	971299536	/nfs/dbraw/zinc/29/95/36/971299536.db2.gz	DIFHMNVSSDIRAE-UHFFFAOYSA-N	-1	0	253.283	0.069	20	30		CCEDRM
C#CCN(CC(=O)[O-])C(=O)c1ncccc1OCC=C	ZINC001602692256	971300672	/nfs/dbraw/zinc/30/06/72/971300672.db2.gz	INCRRHWSWQMNNG-UHFFFAOYSA-N	-1	0	274.276	0.806	20	30		CCEDRM
C#CCN(CC(=O)[O-])C(=O)c1cn2ccc(C)cc2n1	ZINC001602692713	971304988	/nfs/dbraw/zinc/30/49/88/971304988.db2.gz	WNXMRANNCUEGRF-UHFFFAOYSA-N	-1	0	271.276	0.803	20	30		CCEDRM
C#CCN(CC(=O)[O-])c1nnc(-c2ncc(C)o2)n1CC	ZINC001602699664	971318114	/nfs/dbraw/zinc/31/81/14/971318114.db2.gz	YICNQGYKNUTQHQ-UHFFFAOYSA-N	-1	0	289.295	0.786	20	30		CCEDRM
C#CCSCCNC(=O)[C@@H]1CO[C@H](CCC(=O)[O-])C1	ZINC001602704761	971337420	/nfs/dbraw/zinc/33/74/20/971337420.db2.gz	RSNOPVIWUPGCRJ-WDEREUQCSA-N	-1	0	285.365	0.739	20	30		CCEDRM
C#Cc1cncc(C(=O)N2C[C@@H]3COC[C@]3(C(=O)[O-])C2)c1	ZINC001602706861	971339187	/nfs/dbraw/zinc/33/91/87/971339187.db2.gz	DJYBYYJXZUOKQW-IUODEOHRSA-N	-1	0	286.287	0.236	20	30		CCEDRM
C=C(C)C[C@@H](C)C(=O)N1CCS(=O)(=O)C[C@@H]1C(=O)[O-]	ZINC001602706834	971339517	/nfs/dbraw/zinc/33/95/17/971339517.db2.gz	BSTMGBRIYAJMHZ-NXEZZACHSA-N	-1	0	289.353	0.299	20	30		CCEDRM
C#Cc1ccc(NC(=O)[C@@H]2CC(C(=O)[O-])=NO2)cc1	ZINC001602707109	971341636	/nfs/dbraw/zinc/34/16/36/971341636.db2.gz	JUTMCTLNBDPKML-NSHDSACASA-N	-1	0	258.233	0.836	20	30		CCEDRM
C=C(C)Cn1c(CO)nnc1N1CC[C@H](C(=O)[O-])[C@@H](C)C1	ZINC001602711924	971352001	/nfs/dbraw/zinc/35/20/01/971352001.db2.gz	BEVPPEINAHLAPM-QWRGUYRKSA-N	-1	0	294.355	0.894	20	30		CCEDRM
C=CC[C@H](NC(=O)[C@](C)(OC)C(=O)[O-])C(=O)OCC	ZINC001602718376	971374398	/nfs/dbraw/zinc/37/43/98/971374398.db2.gz	KXSLLOHVHVEWLQ-UFBFGSQYSA-N	-1	0	273.285	0.100	20	30		CCEDRM
C=CCNC(=O)CNC(=O)Nc1ccnc(C(=O)[O-])c1	ZINC001602722972	971391899	/nfs/dbraw/zinc/39/18/99/971391899.db2.gz	DKAGNCKGEHUSLE-UHFFFAOYSA-N	-1	0	278.268	0.204	20	30		CCEDRM
COC[C@@](C)(NCC(=O)Nc1sccc1C#N)C(=O)[O-]	ZINC000328574209	971509893	/nfs/dbraw/zinc/50/98/93/971509893.db2.gz	WPLABKXTZSYFHY-GFCCVEGCSA-N	-1	0	297.336	0.638	20	30		CCEDRM
C[C@](C#N)(CC(=O)[O-])C(=O)Nc1cc(C#N)ccn1	ZINC001602782075	971527719	/nfs/dbraw/zinc/52/77/19/971527719.db2.gz	PEGPKPVPNFOXSP-GFCCVEGCSA-N	-1	0	258.237	0.896	20	30		CCEDRM
N#Cc1ccc(N2CCOC[C@@H]2C(=O)[O-])c([N+](=O)[O-])c1	ZINC000088377260	949102339	/nfs/dbraw/zinc/10/23/39/949102339.db2.gz	HIDOARFURQCUHL-LLVKDONJSA-N	-1	0	277.236	0.756	20	30		CCEDRM
C#CCN(CC(=O)[O-])C(=O)[C@H](C)NC(=O)C(C)(C)C	ZINC000092476743	949144440	/nfs/dbraw/zinc/14/44/40/949144440.db2.gz	RBPPKPLSOFRGQP-VIFPVBQESA-N	-1	0	268.313	0.084	20	30		CCEDRM
C#CCN(CC(=O)[O-])C(=O)Cn1cnc2ccccc21	ZINC000092477381	949146730	/nfs/dbraw/zinc/14/67/30/949146730.db2.gz	HPLQISRKWNULPZ-UHFFFAOYSA-N	-1	0	271.276	0.583	20	30		CCEDRM
C#CCN(CC(=O)[O-])C(=O)c1ccc2c(c1)OCO2	ZINC000092479136	949151985	/nfs/dbraw/zinc/15/19/85/949151985.db2.gz	RUNPMOBCJRCOQY-UHFFFAOYSA-N	-1	0	261.233	0.575	20	30		CCEDRM
N#CCNC(=O)CN1CC[C@@H](C(=O)[O-])c2ccccc21	ZINC000167294747	949458622	/nfs/dbraw/zinc/45/86/22/949458622.db2.gz	AVNUPZHRYQKTHF-LLVKDONJSA-N	-1	0	273.292	0.705	20	30		CCEDRM
N#Cc1cc(NC(=O)[C@@H]2CC(C(=O)[O-])=NO2)ccc1F	ZINC000230759558	949710755	/nfs/dbraw/zinc/71/07/55/949710755.db2.gz	JVIZVQRKHXFGNF-JTQLQIEISA-N	-1	0	277.211	0.865	20	30		CCEDRM
CCN(C[C@H](C)C#N)C(=O)CN([C@@H](C)C(=O)[O-])C1CC1	ZINC001589720605	950418647	/nfs/dbraw/zinc/41/86/47/950418647.db2.gz	SMPQOJDGBFBZJG-MNOVXSKESA-N	-1	0	281.356	0.932	20	30		CCEDRM
CCN(CCC#N)C(=O)CN1CCC[C@@H](C)[C@@H]1C(=O)[O-]	ZINC001589729898	950488986	/nfs/dbraw/zinc/48/89/86/950488986.db2.gz	GNVAHOAOJDDLAD-DGCLKSJQSA-N	-1	0	281.356	0.934	20	30		CCEDRM
C#C[C@H](CC)NS(=O)(=O)c1cc(C(=O)[O-])ccn1	ZINC000381165328	971743305	/nfs/dbraw/zinc/74/33/05/971743305.db2.gz	UEVPADFJNIVYOP-SECBINFHSA-N	-1	0	268.294	0.470	20	30		CCEDRM
CC(C)[C@@H](C(=O)[O-])C(=O)N1CC[C@@](O)(CC#N)C1	ZINC001602960341	971945420	/nfs/dbraw/zinc/94/54/20/971945420.db2.gz	BSFIJAUTMKCEQR-SKDRFNHKSA-N	-1	0	254.286	0.220	20	30		CCEDRM
C[C@@H]1CCC(=O)CN1C(=O)[C@](C)(C#N)CC(=O)[O-]	ZINC001589300479	953689876	/nfs/dbraw/zinc/68/98/76/953689876.db2.gz	WNHWWTBJTKAZRC-PELKAZGASA-N	-1	0	252.270	0.571	20	30		CCEDRM
CCn1c([C@@H]2C[C@H]2C#N)nnc1N1CC[C@@H](C(=O)[O-])C1	ZINC001593661291	953806154	/nfs/dbraw/zinc/80/61/54/953806154.db2.gz	WASGXAUCLIFXFF-KXUCPTDWSA-N	-1	0	275.312	0.836	20	30		CCEDRM
CN(CCC#N)S(=O)(=O)N1CCCC[C@@H]1CC(=O)[O-]	ZINC001593728811	954304128	/nfs/dbraw/zinc/30/41/28/954304128.db2.gz	OUPAILXUAJIMIZ-SNVBAGLBSA-N	-1	0	289.357	0.406	20	30		CCEDRM
CN(CCC(=O)[O-])C(=O)C(=O)Nc1cccc(CC#N)c1	ZINC001593733102	954327160	/nfs/dbraw/zinc/32/71/60/954327160.db2.gz	RGBSDVMQNHBEIW-UHFFFAOYSA-N	-1	0	289.291	0.624	20	30		CCEDRM
C[C@@H]1CN(c2cnc(C#N)c(C#N)n2)CC[C@H]1C(=O)[O-]	ZINC001589402932	954455568	/nfs/dbraw/zinc/45/55/68/954455568.db2.gz	RITYHVGSTWWPIJ-RKDXNWHRSA-N	-1	0	271.280	0.767	20	30		CCEDRM
CC[C@H](C(=O)[O-])N(C)C(=O)c1cccc(C#CCO)c1	ZINC001589437105	954688728	/nfs/dbraw/zinc/68/87/28/954688728.db2.gz	ADAONNKSOABTKA-CYBMUJFWSA-N	-1	0	275.304	0.966	20	30		CCEDRM
CC[C@H](CNC(=O)C(=O)N1CCC(CC#N)CC1)C(=O)[O-]	ZINC001589519318	955087791	/nfs/dbraw/zinc/08/77/91/955087791.db2.gz	QVOCODYAHZPZIL-LLVKDONJSA-N	-1	0	295.339	0.366	20	30		CCEDRM
Cn1nc(C(=O)[O-])cc1/C=C/C(=O)c1ncccn1	ZINC001594566680	955848742	/nfs/dbraw/zinc/84/87/42/955848742.db2.gz	CTSVXPFAIGHKGL-ONEGZZNKSA-N	-1	0	258.237	0.804	20	30		CCEDRM
Cn1nc(C(=O)[O-])cc1C(=O)O[C@H]1CC[C@H](C#N)C1	ZINC001594567237	955850665	/nfs/dbraw/zinc/85/06/65/955850665.db2.gz	IJRYOOJARZRFPH-YUMQZZPRSA-N	-1	0	263.253	0.967	20	30		CCEDRM
CO[C@H](C(=O)[O-])C(=O)NCCC#C[Si](C)(C)C	ZINC001593907658	955943285	/nfs/dbraw/zinc/94/32/85/955943285.db2.gz	LMLVTVGSGCSZNM-VIFPVBQESA-N	-1	0	257.362	0.473	20	30		CCEDRM
CO[C@@H](C(=O)[O-])C(=O)NCc1ccc(C#N)s1	ZINC001593909259	955958168	/nfs/dbraw/zinc/95/81/68/955958168.db2.gz	UDEWZNURCBBASX-MRVPVSSYSA-N	-1	0	254.267	0.336	20	30		CCEDRM
CO[C@H](C(=O)[O-])C(=O)Nc1n[nH]c(C2CC2)c1C#N	ZINC001593911255	955966506	/nfs/dbraw/zinc/96/65/06/955966506.db2.gz	JHBANEPHRAOBJD-QMMMGPOBSA-N	-1	0	264.241	0.197	20	30		CCEDRM
Cn1nccc1CCOC(=O)[C@](C)(C#N)CC(=O)[O-]	ZINC001594596624	956097305	/nfs/dbraw/zinc/09/73/05/956097305.db2.gz	GJFBKHFHGJIBDB-LBPRGKRZSA-N	-1	0	265.269	0.510	20	30		CCEDRM
N#C[C@@]1(F)CCN(C(=O)c2ccc(C(=O)[O-])nc2)C1	ZINC001594601573	956136300	/nfs/dbraw/zinc/13/63/00/956136300.db2.gz	DHKBKKMSBBSGRK-LBPRGKRZSA-N	-1	0	263.228	0.858	20	30		CCEDRM
N#C[C@]1(C(=O)OCC(=O)C(=O)[O-])CC12CCCC2	ZINC001594604379	956161518	/nfs/dbraw/zinc/16/15/18/956161518.db2.gz	RXPURRSXMUUTBL-LBPRGKRZSA-N	-1	0	251.238	0.657	20	30		CCEDRM
N#CCC1CCN(C(=O)c2cnc(C(=O)[O-])cn2)CC1	ZINC001594606596	956185073	/nfs/dbraw/zinc/18/50/73/956185073.db2.gz	WUNLKGNAAIGFJP-UHFFFAOYSA-N	-1	0	274.280	0.941	20	30		CCEDRM
N#Cc1cc(C(=O)NC2(C(=O)[O-])CCOCC2)c[nH]1	ZINC001594614567	956231872	/nfs/dbraw/zinc/23/18/72/956231872.db2.gz	ZPGXGFKOHAAVFN-UHFFFAOYSA-N	-1	0	263.253	0.250	20	30		CCEDRM
C[C@](O)(CNC(=O)C(=O)/C=C\c1ccc(F)cc1)C(=O)[O-]	ZINC001589138708	956252229	/nfs/dbraw/zinc/25/22/29/956252229.db2.gz	SXMBYGKHRXOKCD-ZBKLQPJUSA-N	-1	0	295.266	0.360	20	30		CCEDRM
N#Cc1ccc(F)c(CNC(=O)[C@]2(C(=O)[O-])CCCO2)c1	ZINC001594619824	956271817	/nfs/dbraw/zinc/27/18/17/956271817.db2.gz	QYRISARTBKYWKX-AWEZNQCLSA-N	-1	0	292.266	0.947	20	30		CCEDRM
N#Cc1ccncc1C(=O)N1C[C@H]2COC[C@@]2(C(=O)[O-])C1	ZINC001594631370	956340327	/nfs/dbraw/zinc/34/03/27/956340327.db2.gz	CJDKRFMTSVHXID-HZMBPMFUSA-N	-1	0	287.275	0.126	20	30		CCEDRM
COC[C@]1(C(=O)[O-])CCN(C(=O)CC(C)(C)C#N)C1	ZINC001593961568	956488571	/nfs/dbraw/zinc/48/85/71/956488571.db2.gz	HXHKSYQADVBWBS-ZDUSSCGKSA-N	-1	0	268.313	0.876	20	30		CCEDRM
CC1(C#N)CCN(C(=O)[C@@H]2CC(C(=O)[O-])=NO2)CC1	ZINC001589181427	956522940	/nfs/dbraw/zinc/52/29/40/956522940.db2.gz	IFCVAHBJLAEOKL-VIFPVBQESA-N	-1	0	265.269	0.368	20	30		CCEDRM
COC[C@]1(C(=O)[O-])CCN(C(=O)c2cnccc2C#N)C1	ZINC001593968045	956580578	/nfs/dbraw/zinc/58/05/78/956580578.db2.gz	NHYOIKQCFCXKSL-AWEZNQCLSA-N	-1	0	289.291	0.517	20	30		CCEDRM
COC[C@@]1(C(=O)[O-])CN(C(=O)C2(C#N)CCCC2)CCO1	ZINC001593969722	956594522	/nfs/dbraw/zinc/59/45/22/956594522.db2.gz	CLUJQSRZQLHTHZ-CQSZACIVSA-N	-1	0	296.323	0.399	20	30		CCEDRM
C[C@]1(C(=O)[O-])CCN(C(=O)NCc2ccc(C#N)cn2)C1	ZINC001589192632	956600679	/nfs/dbraw/zinc/60/06/79/956600679.db2.gz	KPIBYYHXEXFRPS-AWEZNQCLSA-N	-1	0	288.307	0.959	20	30		CCEDRM
C[C@@](C#N)(CC(=O)[O-])C(=O)N[C@@H]1COC(C)(C)C1	ZINC001589210961	956686847	/nfs/dbraw/zinc/68/68/47/956686847.db2.gz	AUFCVRGOPDBYFH-UFBFGSQYSA-N	-1	0	254.286	0.675	20	30		CCEDRM
CC1(C)C[C@@]1(C(=O)[O-])C(=O)OCC1(CC#N)COC1	ZINC001589218579	956746156	/nfs/dbraw/zinc/74/61/56/956746156.db2.gz	SMSSMPVRVXMCQX-CYBMUJFWSA-N	-1	0	267.281	0.961	20	30		CCEDRM
COC[C@]1(C)CN(C(=O)[C@@](C)(C#N)CC(=O)[O-])CCO1	ZINC001593986751	956797998	/nfs/dbraw/zinc/79/79/98/956797998.db2.gz	JSGLLLLHGLXYIK-OLZOCXBDSA-N	-1	0	284.312	0.255	20	30		CCEDRM
C#CCNS(=O)(=O)c1ccc(OC)cc1CC(=O)[O-]	ZINC000036889127	957243867	/nfs/dbraw/zinc/24/38/67/957243867.db2.gz	ZXBPUSWDPXBUSS-UHFFFAOYSA-N	-1	0	283.305	0.234	20	30		CCEDRM
COCC[C@@H](NC(=O)COc1ccccc1C#N)C(=O)[O-]	ZINC000052784763	957512052	/nfs/dbraw/zinc/51/20/52/957512052.db2.gz	DLQZRPKBQWZONR-LLVKDONJSA-N	-1	0	292.291	0.543	20	30		CCEDRM
C=CCN(CC=C)CC(=O)N1CCC(C(=O)[O-])CC1	ZINC000054262991	957527297	/nfs/dbraw/zinc/52/72/97/957527297.db2.gz	KCTZZGSZYLQLFB-UHFFFAOYSA-N	-1	0	266.341	0.984	20	30		CCEDRM
C#CC1(F)CN(C(=O)[C@@]2(C(=O)[O-])CC=CCC2)C1	ZINC001588385951	957974725	/nfs/dbraw/zinc/97/47/25/957974725.db2.gz	MBHRMSNTACWKAB-CYBMUJFWSA-N	-1	0	251.257	0.981	20	30		CCEDRM
C#C[C@H](NC(=O)[C@H](OC)C(=O)[O-])c1ccc(F)cc1	ZINC001588387404	957987322	/nfs/dbraw/zinc/98/73/22/957987322.db2.gz	IZVBXGHXZZDRDX-QWRGUYRKSA-N	-1	0	265.240	0.716	20	30		CCEDRM
C#C[C@H](NC(=O)[C@@H](OC)C(=O)[O-])c1ccc(F)cc1	ZINC001588387405	957987719	/nfs/dbraw/zinc/98/77/19/957987719.db2.gz	IZVBXGHXZZDRDX-WDEREUQCSA-N	-1	0	265.240	0.716	20	30		CCEDRM
C#C[C@H](CC)NC(=O)N1C[C@@H]2COC[C@]2(C(=O)[O-])C1	ZINC001588388213	957991543	/nfs/dbraw/zinc/99/15/43/957991543.db2.gz	QEDBRXFRCGPLPS-GIPNMCIBSA-N	-1	0	266.297	0.141	20	30		CCEDRM
C#CC[C@H](NC(=O)C1(C(=O)[O-])CCSCC1)C(=O)OC	ZINC001588388992	958002545	/nfs/dbraw/zinc/00/25/45/958002545.db2.gz	JKWWUNPBYXESOF-VIFPVBQESA-N	-1	0	299.348	0.266	20	30		CCEDRM
C#CCN(CC(=O)[O-])C(=O)[C@@H](C)c1ncccc1F	ZINC001588397466	958057517	/nfs/dbraw/zinc/05/75/17/958057517.db2.gz	JHQXHLLABLWPIE-VIFPVBQESA-N	-1	0	264.256	0.871	20	30		CCEDRM
C#CCN(CC(=O)[O-])C(=O)[C@@H]1C[C@]1(C)Br	ZINC001588399528	958074094	/nfs/dbraw/zinc/07/40/94/958074094.db2.gz	LYBLTDVNLRIIKU-XVKPBYJWSA-N	-1	0	274.114	0.706	20	30		CCEDRM
C#CCN(CC(=O)[O-])C(=O)[C@H]1CC(c2cccnc2)=NO1	ZINC001588399729	958075972	/nfs/dbraw/zinc/07/59/72/958075972.db2.gz	OHTXEWWXPVYNKK-GFCCVEGCSA-N	-1	0	287.275	0.121	20	30		CCEDRM
C#CCN(CC(=O)[O-])C(=O)/C=C\c1ccncc1C	ZINC001588400203	958079427	/nfs/dbraw/zinc/07/94/27/958079427.db2.gz	STABGQLKJTYGFB-PLNGDYQASA-N	-1	0	258.277	0.950	20	30		CCEDRM
C#CCN(CC(=O)[O-])C(=O)C[C@H]1CCC(=O)[C@H]1C	ZINC001588402661	958094910	/nfs/dbraw/zinc/09/49/10/958094910.db2.gz	ZQFJYHKBRRTUQW-VHSXEESVSA-N	-1	0	251.282	0.538	20	30		CCEDRM
C#CCN(CC(=O)[O-])C(=O)NCC[C@@H]1CCO[C@@H](C)C1	ZINC001588408692	958116457	/nfs/dbraw/zinc/11/64/57/958116457.db2.gz	ZDSSAYGTEDGNSB-NWDGAFQWSA-N	-1	0	282.340	0.921	20	30		CCEDRM
C#CCN(CC(=O)[O-])C(=O)N[C@@H](c1cnn(C)c1)C(C)C	ZINC001588409269	958124446	/nfs/dbraw/zinc/12/44/46/958124446.db2.gz	DFISPNLWBIBHQB-CYBMUJFWSA-N	-1	0	292.339	0.847	20	30		CCEDRM
C#CCN(CC(=O)[O-])C(=O)N[C@H]1CCS[C@H](C)C1	ZINC001588410045	958134391	/nfs/dbraw/zinc/13/43/91/958134391.db2.gz	OEJQQTVXBLHFAH-ZJUUUORDSA-N	-1	0	270.354	1.000	20	30		CCEDRM
C#CCN(CC(=O)[O-])C(=O)N[C@@H]1CCC2(C1)OCCO2	ZINC001588410529	958140953	/nfs/dbraw/zinc/14/09/53/958140953.db2.gz	WQIYCOOERAJDEC-SNVBAGLBSA-N	-1	0	282.296	0.011	20	30		CCEDRM
C#CCN(CC(=O)[O-])C(=O)N[C@@H]1CCC[C@H]1OCC	ZINC001588410927	958142377	/nfs/dbraw/zinc/14/23/77/958142377.db2.gz	AABXEKVWHBHHLK-GHMZBOCLSA-N	-1	0	268.313	0.673	20	30		CCEDRM
N#CCc1ccc(S(=O)(=O)NCC(=O)[O-])cc1	ZINC000092130600	958158339	/nfs/dbraw/zinc/15/83/39/958158339.db2.gz	XGNRSKWRVPENKS-UHFFFAOYSA-N	-1	0	254.267	0.116	20	30		CCEDRM
N#CCc1ccc(S(=O)(=O)N2CC[C@H](C(=O)[O-])C2)cc1	ZINC000092130851	958159686	/nfs/dbraw/zinc/15/96/86/958159686.db2.gz	BYRUIBMFHUNWMW-NSHDSACASA-N	-1	0	294.332	0.848	20	30		CCEDRM
N#CCc1ccc(S(=O)(=O)N[C@@H](C(=O)[O-])C2CC2)cc1	ZINC000092130823	958159710	/nfs/dbraw/zinc/15/97/10/958159710.db2.gz	HRMXVHBIHWOTOS-GFCCVEGCSA-N	-1	0	294.332	0.894	20	30		CCEDRM
C#CCN(CC(=O)[O-])C(=O)c1ccc(Cn2cncn2)cc1	ZINC001588415925	958160111	/nfs/dbraw/zinc/16/01/11/958160111.db2.gz	DDKNYDKLRSBOSU-UHFFFAOYSA-N	-1	0	298.302	0.486	20	30		CCEDRM
C#CCN(CC(=O)[O-])C(=O)[C@@H]1CCO[C@H]1c1ccncc1	ZINC001588417349	958170569	/nfs/dbraw/zinc/17/05/69/958170569.db2.gz	JUVHNOWFFZLGHZ-OCCSQVGLSA-N	-1	0	288.303	0.706	20	30		CCEDRM
C#CCN(CC(=O)[O-])C(=O)c1cc(C)c(F)cc1N	ZINC001588417313	958170771	/nfs/dbraw/zinc/17/07/71/958170771.db2.gz	HVBOMYYUMDXVSD-UHFFFAOYSA-N	-1	0	264.256	0.876	20	30		CCEDRM
C#CCN(CC(=O)[O-])C(=O)c1cc(=O)[nH]c(C2CC2)c1	ZINC001588417405	958172197	/nfs/dbraw/zinc/17/21/97/958172197.db2.gz	MNABTEPQLXBBSY-UHFFFAOYSA-N	-1	0	274.276	0.825	20	30		CCEDRM
C#CCN(CC(=O)[O-])C(=O)c1cnn(C)c1C1CC1	ZINC001588418473	958178949	/nfs/dbraw/zinc/17/89/49/958178949.db2.gz	HSLLJIXPBAHUIZ-UHFFFAOYSA-N	-1	0	261.281	0.458	20	30		CCEDRM
C#CCN(CC(=O)[O-])C[C@H]1[C@H](C(=O)OC)C1(F)F	ZINC001588423738	958206236	/nfs/dbraw/zinc/20/62/36/958206236.db2.gz	DOMZFSHPUBNFBZ-IONNQARKSA-N	-1	0	261.224	0.061	20	30		CCEDRM
C#CCN(CC(=O)[O-])c1nnc(-c2oc(C)nc2C)n1C	ZINC001588426888	958235155	/nfs/dbraw/zinc/23/51/55/958235155.db2.gz	FQUCBKGANGCRLD-UHFFFAOYSA-N	-1	0	289.295	0.611	20	30		CCEDRM
C#CCN(CC(=O)[O-])c1nnc([C@H](C)CO)n1CC1CC1	ZINC001588426989	958236422	/nfs/dbraw/zinc/23/64/22/958236422.db2.gz	JHDSMXUVYVUBIH-SNVBAGLBSA-N	-1	0	292.339	0.308	20	30		CCEDRM
C#CCOCCNC(=O)Nc1cc(C(=O)[O-])ccn1	ZINC001588431780	958274519	/nfs/dbraw/zinc/27/45/19/958274519.db2.gz	XKSYCWJYPQPBQK-UHFFFAOYSA-N	-1	0	263.253	0.551	20	30		CCEDRM
C#Cc1ccc(C(=O)N(CCC(=O)OC)CC(=O)[O-])cc1	ZINC001588433835	958300438	/nfs/dbraw/zinc/30/04/38/958300438.db2.gz	VOMOBKAHFBPNSV-UHFFFAOYSA-N	-1	0	289.287	0.758	20	30		CCEDRM
C#Cc1ccc(C(=O)Nc2c[nH]nc2C(=O)[O-])cn1	ZINC001588438771	958304500	/nfs/dbraw/zinc/30/45/00/958304500.db2.gz	AMQGIAGDROHHIA-UHFFFAOYSA-N	-1	0	256.221	0.737	20	30		CCEDRM
C#Cc1ccc(C(=O)N[C@@H](CCC(=O)OC)C(=O)[O-])cn1	ZINC001588439105	958311671	/nfs/dbraw/zinc/31/16/71/958311671.db2.gz	NTTPEENWAYECDQ-NSHDSACASA-N	-1	0	290.275	0.199	20	30		CCEDRM
C=C(C)CN(CC)C(=O)COC(=O)[C@H](C)C(=O)[O-]	ZINC001588439961	958325835	/nfs/dbraw/zinc/32/58/35/958325835.db2.gz	JMQIBQWKKVSQNN-SECBINFHSA-N	-1	0	257.286	0.675	20	30		CCEDRM
C=C(C)CN(Cc1ccc(CO)o1)C(=O)[C@@H](OC)C(=O)[O-]	ZINC001588440196	958329583	/nfs/dbraw/zinc/32/95/83/958329583.db2.gz	PMZSJTDWHSXKFC-GFCCVEGCSA-N	-1	0	297.307	0.776	20	30		CCEDRM
C=C(C)CCn1nnnc1N1CC[C@](COC)(C(=O)[O-])C1	ZINC001588441276	958335133	/nfs/dbraw/zinc/33/51/33/958335133.db2.gz	IFBDUUSRCUPXRZ-ZDUSSCGKSA-N	-1	0	295.343	0.567	20	30		CCEDRM
C=C(CC(C)C)C(=O)N1CCS(=O)(=O)C[C@@H]1C(=O)[O-]	ZINC001588444461	958360511	/nfs/dbraw/zinc/36/05/11/958360511.db2.gz	CZESTGPWWJAZTF-SNVBAGLBSA-N	-1	0	289.353	0.299	20	30		CCEDRM
C=C[C@@H](C)ONC(=O)N[C@@H]1CCCCN(CC(=O)[O-])C1=O	ZINC001588450729	958399435	/nfs/dbraw/zinc/39/94/35/958399435.db2.gz	AONSZNIJKDLOLA-NXEZZACHSA-N	-1	0	299.327	0.257	20	30		CCEDRM
C=C[C@](C)(O)CC(=O)N1CC[C@@](COC)(C(=O)[O-])C1	ZINC001588450989	958403387	/nfs/dbraw/zinc/40/33/87/958403387.db2.gz	JIWNFYIIRAXZBK-QWHCGFSZSA-N	-1	0	271.313	0.263	20	30		CCEDRM
C=C[C@H](COC)NC(=O)N1CCC(C(=O)[O-])CC1	ZINC001588451299	958409140	/nfs/dbraw/zinc/40/91/40/958409140.db2.gz	ROYJZDXMENMJII-SNVBAGLBSA-N	-1	0	256.302	0.694	20	30		CCEDRM
C=CC[C@@H](CO)NC(=O)c1cccc(OCC(=O)[O-])c1	ZINC001588453210	958433793	/nfs/dbraw/zinc/43/37/93/958433793.db2.gz	RXXBGDAAGOHRBV-NSHDSACASA-N	-1	0	279.292	0.817	20	30		CCEDRM
C=CC[C@H](NC(=O)[C@]1(C(=O)[O-])C[C@H]1C)C(=O)OCC	ZINC001588457997	958456742	/nfs/dbraw/zinc/45/67/42/958456742.db2.gz	OGVMHTBZGSZGOM-ZDMBXUJBSA-N	-1	0	269.297	0.721	20	30		CCEDRM
C=CCCONC(=O)[C@@H]1CO[C@@H](CCC(=O)[O-])C1	ZINC001588460386	958474432	/nfs/dbraw/zinc/47/44/32/958474432.db2.gz	DBKFFOMJVUQPDH-UWVGGRQHSA-N	-1	0	257.286	0.880	20	30		CCEDRM
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C=CCN(C)C(=O)C(=O)NCc1cccc(C(=O)[O-])c1	ZINC001588463248	958482888	/nfs/dbraw/zinc/48/28/88/958482888.db2.gz	HXTRARRUQYNGCF-UHFFFAOYSA-N	-1	0	276.292	0.645	20	30		CCEDRM
C=CCOCCCC(=O)N1C[C@H]2COC[C@@]2(C(=O)[O-])C1	ZINC001588465227	958497860	/nfs/dbraw/zinc/49/78/60/958497860.db2.gz	RHCYAHQTCNZKDC-FZMZJTMJSA-N	-1	0	283.324	0.529	20	30		CCEDRM
C=CCNC(=O)COC(=O)C1(CC(=O)[O-])CCOCC1	ZINC001588465360	958501603	/nfs/dbraw/zinc/50/16/03/958501603.db2.gz	FRCFMAPZMUCFNV-UHFFFAOYSA-N	-1	0	285.296	0.103	20	30		CCEDRM
C=CCO[C@H]1CCN(C(=O)[C@]2(C(=O)[O-])C[C@H]2C)C1	ZINC001573337460	958523834	/nfs/dbraw/zinc/52/38/34/958523834.db2.gz	NSEFXMDCDIEMSO-NRUUGDAUSA-N	-1	0	253.298	0.901	20	30		CCEDRM
C#CCNC(=O)[C@@H](C)N1CCc2c(cccc2C(=O)[O-])C1	ZINC000124546753	958534026	/nfs/dbraw/zinc/53/40/26/958534026.db2.gz	BKLCHVKUSFAZHN-LLVKDONJSA-N	-1	0	286.331	0.881	20	30		CCEDRM
C=CCn1c(C[C@@H](C)O)nnc1N1CC[C@](C)(C(=O)[O-])C1	ZINC001588472122	958540093	/nfs/dbraw/zinc/54/00/93/958540093.db2.gz	JPOJEJRGUOHADP-YGRLFVJLSA-N	-1	0	294.355	0.688	20	30		CCEDRM
CC#CC(=O)NC[C@H]1CCC2(CC(C(=O)[O-])C2)O1	ZINC001588478651	958569822	/nfs/dbraw/zinc/56/98/22/958569822.db2.gz	GEPIAIVHBTWHFN-RUETXSTFSA-N	-1	0	251.282	0.538	20	30		CCEDRM
C[C@](C#N)(CC(=O)[O-])C(=O)N=S1(=O)CCOCC1	ZINC001573359856	958588717	/nfs/dbraw/zinc/58/87/17/958588717.db2.gz	KWTYCFUXSXJNSN-SNVBAGLBSA-N	-1	0	274.298	0.016	20	30		CCEDRM
C[C@](C#N)(CC(=O)[O-])C(=O)N1CC[C@@H]2OCC[C@@H]2C1	ZINC001573359817	958588767	/nfs/dbraw/zinc/58/87/67/958588767.db2.gz	JHJIBMFHMMTRDG-GBIKHYSHSA-N	-1	0	266.297	0.628	20	30		CCEDRM
C[C@@H](C#N)CN(C(=O)[C@@H]1CC(C(=O)[O-])=NO1)C1CC1	ZINC001573362727	958601633	/nfs/dbraw/zinc/60/16/33/958601633.db2.gz	FFJZVTREWDBNPM-XVKPBYJWSA-N	-1	0	265.269	0.367	20	30		CCEDRM
CC(=NNCCC(=O)[O-])c1ccc2[nH]c(=O)c(=O)[nH]c2c1	ZINC001588486084	958610026	/nfs/dbraw/zinc/61/00/26/958610026.db2.gz	QRNFTEFPIWAYES-UHFFFAOYSA-N	-1	0	290.279	0.005	20	30		CCEDRM
COc1ncc(NC(=O)[C@@](C)(OC)C(=O)[O-])cc1C#N	ZINC001594160335	958876376	/nfs/dbraw/zinc/87/63/76/958876376.db2.gz	BDZADHWJCCSHNB-GFCCVEGCSA-N	-1	0	279.252	0.390	20	30		CCEDRM
Cc1cccc(NC(=O)[C@@H](C#N)C(=O)COCC(=O)[O-])c1	ZINC001594405533	958903437	/nfs/dbraw/zinc/90/34/37/958903437.db2.gz	LOLBTJNWRGVWJX-NSHDSACASA-N	-1	0	290.275	0.744	20	30		CCEDRM
C[C@@](C#N)(CC(=O)[O-])C(=O)N1CCC2(CCNC2=O)CC1	ZINC001588534448	958921236	/nfs/dbraw/zinc/92/12/36/958921236.db2.gz	GTAWBKMPUCYYPS-ZDUSSCGKSA-N	-1	0	293.323	0.120	20	30		CCEDRM
C[C@](C#N)(CC(=O)[O-])C(=O)N1CC[C@@H](N2CCOC2=O)C1	ZINC001588534918	958925004	/nfs/dbraw/zinc/92/50/04/958925004.db2.gz	KZKSUDVWZZNMDY-NOZJJQNGSA-N	-1	0	295.295	0.044	20	30		CCEDRM
C#CC[C@@H](NC(=O)c1cccc([N+](=O)[O-])c1OC)C(=O)[O-]	ZINC000137537688	958933183	/nfs/dbraw/zinc/93/31/83/958933183.db2.gz	HMQDSLQDQQPFPB-SECBINFHSA-N	-1	0	292.247	0.810	20	30		CCEDRM
C[C@@](C#N)(CC(=O)[O-])C(=O)N1CCO[C@@H](C(=O)C2CC2)C1	ZINC001588538588	958942777	/nfs/dbraw/zinc/94/27/77/958942777.db2.gz	KTQHJZPFDPCUGW-YGRLFVJLSA-N	-1	0	294.307	0.197	20	30		CCEDRM
C[C@H](C#N)OCCn1cc(CN2CCC[C@H]2C(=O)[O-])nn1	ZINC001588542931	958974020	/nfs/dbraw/zinc/97/40/20/958974020.db2.gz	FPNDJWPXSCAFSL-PWSUYJOCSA-N	-1	0	293.327	0.256	20	30		CCEDRM
C[C@@H](C#N)CNC(=O)C1(C(=O)[O-])CCSCC1	ZINC001588544077	958986961	/nfs/dbraw/zinc/98/69/61/958986961.db2.gz	YRXKNGNYDPINTP-QMMMGPOBSA-N	-1	0	256.327	0.860	20	30		CCEDRM
C[C@](C#N)(NC(=O)CN1CCC[C@@]1(C)C(=O)[O-])C1CC1	ZINC001588543999	958987162	/nfs/dbraw/zinc/98/71/62/958987162.db2.gz	XLBQLRIIIQQIRQ-KGLIPLIRSA-N	-1	0	279.340	0.734	20	30		CCEDRM
C[C@@H](C(=O)N(C)CCCC(=O)[O-])n1cnc(C#N)n1	ZINC001588544942	958988415	/nfs/dbraw/zinc/98/84/15/958988415.db2.gz	CICURTITERUGAF-QMMMGPOBSA-N	-1	0	265.273	0.034	20	30		CCEDRM
C#CC[C@H](NC(=O)c1cnn(-c2ccccc2)n1)C(=O)[O-]	ZINC000149673270	959021482	/nfs/dbraw/zinc/02/14/82/959021482.db2.gz	SROKKRGHBSKCBD-NSHDSACASA-N	-1	0	284.275	0.474	20	30		CCEDRM
C#CC[C@H](NC(=O)COc1ccccc1C#N)C(=O)[O-]	ZINC000149858370	959029227	/nfs/dbraw/zinc/02/92/27/959029227.db2.gz	XYRFVAQSDGEGNW-NSHDSACASA-N	-1	0	272.260	0.530	20	30		CCEDRM
C#CC[C@H](NS(=O)(=O)c1cc(F)cc(F)c1)C(=O)[O-]	ZINC000161250228	959177992	/nfs/dbraw/zinc/17/79/92/959177992.db2.gz	SFFRXLCRVIZQNX-JTQLQIEISA-N	-1	0	289.259	0.720	20	30		CCEDRM
C[C@@H]1CC[C@H](O)CN1C(=O)[C@](C)(C#N)CC(=O)[O-]	ZINC001594220467	959368595	/nfs/dbraw/zinc/36/85/95/959368595.db2.gz	RUPSHMABFVSTAR-PTRXPTGYSA-N	-1	0	254.286	0.363	20	30		CCEDRM
C[C@]1(C#N)CCCN(C(=O)c2cn(CC(=O)[O-])nn2)C1	ZINC001573641258	959612955	/nfs/dbraw/zinc/61/29/55/959612955.db2.gz	BKAHCDVUDZNUJO-GFCCVEGCSA-N	-1	0	277.284	0.129	20	30		CCEDRM
C[C@]1(C#N)CCCN(C(=O)[C@H]2CC(C(=O)[O-])=NO2)C1	ZINC001573643350	959627193	/nfs/dbraw/zinc/62/71/93/959627193.db2.gz	OGXRXFZQKVFCHL-BXKDBHETSA-N	-1	0	265.269	0.368	20	30		CCEDRM
Cc1nn(C)cc1CNC(=O)[C@](C)(C#N)CC(=O)[O-]	ZINC001594484482	959657438	/nfs/dbraw/zinc/65/74/38/959657438.db2.gz	OOXGNMVHHBADCI-LBPRGKRZSA-N	-1	0	264.285	0.349	20	30		CCEDRM
COc1cc(C(=O)[O-])ccc1S(=O)(=O)NC[C@@H](C)C#N	ZINC000223706746	959840072	/nfs/dbraw/zinc/84/00/72/959840072.db2.gz	IAEQKLLTNPYEBZ-QMMMGPOBSA-N	-1	0	298.320	0.831	20	30		CCEDRM
C[C@H]1CCC[C@](C#N)(NC(=O)c2cn(CC(=O)[O-])nn2)C1	ZINC001573716664	959875189	/nfs/dbraw/zinc/87/51/89/959875189.db2.gz	WBOPLLVXYUHZFP-ZANVPECISA-N	-1	0	291.311	0.565	20	30		CCEDRM
C[C@H](OC(=O)[C@@](C)(C#N)CC(=O)[O-])C(=O)N1CCCCC1	ZINC001603268234	972463827	/nfs/dbraw/zinc/46/38/27/972463827.db2.gz	GPJCDAWNCRNAOQ-IINYFYTJSA-N	-1	0	296.323	0.935	20	30		CCEDRM
N#CCCNC(=O)CN1CCc2ccc(C(=O)[O-])cc21	ZINC000228537451	960024735	/nfs/dbraw/zinc/02/47/35/960024735.db2.gz	GMKNVCCWBDVBNV-UHFFFAOYSA-N	-1	0	273.292	0.777	20	30		CCEDRM
CC(C)(CC(=O)[O-])NS(=O)(=O)c1cccnc1C#N	ZINC000232518373	960279029	/nfs/dbraw/zinc/27/90/29/960279029.db2.gz	FCYYRBINOCUYSC-UHFFFAOYSA-N	-1	0	283.309	0.485	20	30		CCEDRM
CCN(C[C@@H](C)C#N)S(=O)(=O)c1cc(C(=O)[O-])[nH]n1	ZINC001571030037	960475513	/nfs/dbraw/zinc/47/55/13/960475513.db2.gz	LZGPCMKXBIHYHP-ZETCQYMHSA-N	-1	0	286.313	0.278	20	30		CCEDRM
N#Cc1csc(CNC(=O)N2CCO[C@@H](C(=O)[O-])C2)n1	ZINC001574248031	960495326	/nfs/dbraw/zinc/49/53/26/960495326.db2.gz	ACMWZDFIRCRQJJ-MRVPVSSYSA-N	-1	0	296.308	0.010	20	30		CCEDRM
C[S@](=O)[C@@H]1CC[C@H](NC(=O)[C@@](C)(C#N)CC(=O)[O-])C1	ZINC001574250912	960516567	/nfs/dbraw/zinc/51/65/67/960516567.db2.gz	SMBNDDRIXTXBNQ-ZSGILYGOSA-N	-1	0	286.353	0.407	20	30		CCEDRM
CCC(C#N)(CC)C(=O)Nc1ncn(CC(=O)[O-])n1	ZINC001573757913	960575206	/nfs/dbraw/zinc/57/52/06/960575206.db2.gz	DRVUGOZFNFYLRB-UHFFFAOYSA-N	-1	0	265.273	0.631	20	30		CCEDRM
N#Cc1cnc(N2CC[C@@H](C(=O)[O-])C2)c([N+](=O)[O-])c1	ZINC000236434986	960596905	/nfs/dbraw/zinc/59/69/05/960596905.db2.gz	TXXSDEUKVAJNEX-MRVPVSSYSA-N	-1	0	262.225	0.772	20	30		CCEDRM
CC[C@@](C)(C#N)C(=O)N1C[C@H]2COC[C@@]2(C(=O)[O-])C1	ZINC001573767625	960628057	/nfs/dbraw/zinc/62/80/57/960628057.db2.gz	DWNYOEKYSHRGQK-XDTLVQLUSA-N	-1	0	266.297	0.486	20	30		CCEDRM
CC[C@H](CNC(=O)CNc1ccc(C#N)cn1)C(=O)[O-]	ZINC001573795974	960776295	/nfs/dbraw/zinc/77/62/95/960776295.db2.gz	SFNLZSNHJMYKOG-SNVBAGLBSA-N	-1	0	276.296	0.592	20	30		CCEDRM
Cc1cc(NC(=O)c2cc(C(=O)[O-])n[nH]2)n(CCC#N)n1	ZINC001574341030	960937338	/nfs/dbraw/zinc/93/73/38/960937338.db2.gz	FMQRXQZONREWRG-UHFFFAOYSA-N	-1	0	288.267	0.779	20	30		CCEDRM
Cc1nc(C#N)cc(Nc2cnn(CC(=O)[O-])c2)n1	ZINC001574418734	961340028	/nfs/dbraw/zinc/34/00/28/961340028.db2.gz	UAZIMQBMCMXKBN-UHFFFAOYSA-N	-1	0	258.241	0.681	20	30		CCEDRM
Cc1ncc(NC(=O)[C@](C)(C#N)CC(=O)[O-])cc1C(N)=O	ZINC001574429023	961379737	/nfs/dbraw/zinc/37/97/37/961379737.db2.gz	JKYAJDNFSYNGAR-ZDUSSCGKSA-N	-1	0	290.279	0.432	20	30		CCEDRM
N#CCc1ccnc(NC(=O)N[C@]2(C(=O)[O-])CCOC2)c1	ZINC001574479807	961652954	/nfs/dbraw/zinc/65/29/54/961652954.db2.gz	OAJYUZQLWOJUOA-CYBMUJFWSA-N	-1	0	290.279	0.513	20	30		CCEDRM
N#CC1(NC(=O)[C@@H]2CC[C@H]2C(=O)[O-])CCOCC1	ZINC001574480074	961656164	/nfs/dbraw/zinc/65/61/64/961656164.db2.gz	BFPXVZOQAPEBTP-RKDXNWHRSA-N	-1	0	252.270	0.286	20	30		CCEDRM
N#CC1(CNC(=O)c2cc(C(=O)[O-])n[nH]2)CCCC1	ZINC001574480073	961656777	/nfs/dbraw/zinc/65/67/77/961656777.db2.gz	BDPJUZQVEMYKGI-UHFFFAOYSA-N	-1	0	262.269	0.922	20	30		CCEDRM
N#Cc1cc(CNC(=O)[C@@H]2CC[C@H]2C(=O)[O-])ccn1	ZINC001574485632	961678241	/nfs/dbraw/zinc/67/82/41/961678241.db2.gz	JBRPUZJLRRROLR-GHMZBOCLSA-N	-1	0	259.265	0.680	20	30		CCEDRM
N#Cc1cc(NC(=O)N[C@@]2(C(=O)[O-])CCOC2)ccn1	ZINC001574485850	961679524	/nfs/dbraw/zinc/67/95/24/961679524.db2.gz	KUXFLKSKNGSBID-LBPRGKRZSA-N	-1	0	276.252	0.318	20	30		CCEDRM
N#Cc1ccc(S(=O)(=O)N[C@H]2C[C@@H](C(=O)[O-])C2)nc1	ZINC001574489468	961704950	/nfs/dbraw/zinc/70/49/50/961704950.db2.gz	JCOVMQJFRUJANC-DTORHVGOSA-N	-1	0	281.293	0.095	20	30		CCEDRM
N#Cc1ccncc1C(=O)N[C@H]1CCC[C@H]1C(=O)[O-]	ZINC001574492804	961712368	/nfs/dbraw/zinc/71/23/68/961712368.db2.gz	BJWHEJXVIDXEGH-KOLCDFICSA-N	-1	0	259.265	0.936	20	30		CCEDRM
N#Cc1cnn(C(=O)[C@@H]2CO[C@@H](CCC(=O)[O-])C2)c1N	ZINC001574493529	961721161	/nfs/dbraw/zinc/72/11/61/961721161.db2.gz	MZEPJJZTXLCGQS-CBAPKCEASA-N	-1	0	278.268	0.247	20	30		CCEDRM
CCn1cncc(NC(=O)[C@@](C)(C#N)CC(=O)[O-])c1=O	ZINC001573972209	961741997	/nfs/dbraw/zinc/74/19/97/961741997.db2.gz	NZKSPMKDNNBVPW-GFCCVEGCSA-N	-1	0	278.268	0.206	20	30		CCEDRM
N#CCCNC(=O)N1C[C@@H](C(=O)[O-])[C@H](C2CC2)C1	ZINC001335561034	961936540	/nfs/dbraw/zinc/93/65/40/961936540.db2.gz	XDJYBRPSAOAVAH-VHSXEESVSA-N	-1	0	251.286	0.652	20	30		CCEDRM
C#CC1(NC(=O)NC[C@H]2C[C@H]2C(=O)[O-])CCCC1	ZINC001573302306	962650343	/nfs/dbraw/zinc/65/03/43/962650343.db2.gz	LLVSHOQWAPONRA-NXEZZACHSA-N	-1	0	250.298	0.952	20	30		CCEDRM
C#CC[C@H](NC(=O)C[C@@H]1CCOC[C@@H]1OC)C(=O)[O-]	ZINC001573303564	962678308	/nfs/dbraw/zinc/67/83/08/962678308.db2.gz	ZXOFZYIFLPNYPM-DCAQKATOSA-N	-1	0	269.297	0.021	20	30		CCEDRM
C=C(Br)CN1CCS(=O)(=O)C[C@H]1C(=O)[O-]	ZINC001573313648	962734607	/nfs/dbraw/zinc/73/46/07/962734607.db2.gz	NTKZINUXJCBTPP-ZETCQYMHSA-N	-1	0	298.158	0.079	20	30		CCEDRM
C=C(C)C[C@@H](CO)NC(=O)NC[C@H]1CCO[C@H]1C(=O)[O-]	ZINC001573322062	962765701	/nfs/dbraw/zinc/76/57/01/962765701.db2.gz	UWANNUXYJAHGAM-OUAUKWLOSA-N	-1	0	286.328	0.102	20	30		CCEDRM
C=CCC[C@@H]1CCCN1C(=O)Cn1cc(C(=O)[O-])nn1	ZINC001517414298	962789364	/nfs/dbraw/zinc/78/93/64/962789364.db2.gz	GORGCDAHTSTFMU-SNVBAGLBSA-N	-1	0	278.312	0.934	20	30		CCEDRM
C=C(C)CCC(=O)N(C)C[C@H](C)NC(=O)CNC(=O)[O-]	ZINC001573324783	962791081	/nfs/dbraw/zinc/79/10/81/962791081.db2.gz	YFWWKOAIOAOJQA-JTQLQIEISA-N	-1	0	285.344	0.573	20	30		CCEDRM
COc1cc(CCNC(=O)[C@@](C)(C#N)CC(=O)[O-])ccn1	ZINC001574181542	962811709	/nfs/dbraw/zinc/81/17/09/962811709.db2.gz	BYDRNTXVWQNUPG-CQSZACIVSA-N	-1	0	291.307	0.753	20	30		CCEDRM
C=C(CCC(=O)[O-])C(=O)N1CCO[C@@]2(CCO[C@H]2C)C1	ZINC001573332189	962828301	/nfs/dbraw/zinc/82/83/01/962828301.db2.gz	KGRUJUOWQAXLHH-FZMZJTMJSA-N	-1	0	283.324	0.814	20	30		CCEDRM
COc1cc(NC(=O)[C@@](C)(C#N)CC(=O)[O-])n(C)n1	ZINC001574186072	962834894	/nfs/dbraw/zinc/83/48/94/962834894.db2.gz	JIIHSZUVPPEERS-LLVKDONJSA-N	-1	0	266.257	0.372	20	30		CCEDRM
C=C(Cl)CN1C[C@H](NC(=O)CNC(=O)[O-])C(C)(C)C1	ZINC001573339432	962891347	/nfs/dbraw/zinc/89/13/47/962891347.db2.gz	SMOKSFIQFKIVKO-VIFPVBQESA-N	-1	0	289.763	0.833	20	30		CCEDRM
C=C(Cl)CN(C)C[C@H](C)NC(=O)CNC(=O)[O-]	ZINC001573339831	962896926	/nfs/dbraw/zinc/89/69/26/962896926.db2.gz	YGCBGXGCDCBINU-QMMMGPOBSA-N	-1	0	263.725	0.443	20	30		CCEDRM
C=CCCC(=O)N1CC[C@H](NC(=O)CNC(=O)[O-])[C@H]1C	ZINC001573352744	962991142	/nfs/dbraw/zinc/99/11/42/962991142.db2.gz	JCTCAWDUOXLCPD-ZJUUUORDSA-N	-1	0	283.328	0.326	20	30		CCEDRM
C=CCCCC(=O)N[C@@H]1CN(C(=O)CNC(=O)[O-])C[C@@H]1C	ZINC001573358321	963025861	/nfs/dbraw/zinc/02/58/61/963025861.db2.gz	YJAYOUVRTJSOBB-WDEREUQCSA-N	-1	0	297.355	0.573	20	30		CCEDRM
C#CC[C@@H](NC(=O)c1cncc(Cl)c1)C(=O)[O-]	ZINC000307859850	963235278	/nfs/dbraw/zinc/23/52/78/963235278.db2.gz	ULGHWEMNXKCNFM-SECBINFHSA-N	-1	0	252.657	0.941	20	30		CCEDRM
C[C@@H](C(=O)N[C@H]1CC[C@@H](C(=O)[O-])C1)n1cnc(C#N)n1	ZINC001571005861	963246892	/nfs/dbraw/zinc/24/68/92/963246892.db2.gz	FQCHHFCUKKIBOK-YIZRAAEISA-N	-1	0	277.284	0.080	20	30		CCEDRM
COC(=O)[C@H]1C[C@@H](C(=O)[O-])CCN1C(=O)[C@@H]1C[C@@H]1C#N	ZINC001571013488	963299077	/nfs/dbraw/zinc/29/90/77/963299077.db2.gz	JSFFYAVLVSEELL-SGIHWFKDSA-N	-1	0	280.280	0.011	20	30		CCEDRM
C=CCCCNC(=O)N1CCO[C@@H](CC(=O)[O-])C1	ZINC000310705406	963426460	/nfs/dbraw/zinc/42/64/60/963426460.db2.gz	HTWWXPBFDPQBJF-JTQLQIEISA-N	-1	0	256.302	0.838	20	30		CCEDRM
C=CCC(C)(C)CNS(=O)(=O)c1n[nH]cc1C(=O)[O-]	ZINC000311869823	963518172	/nfs/dbraw/zinc/51/81/72/963518172.db2.gz	LNMCZRHBBGLMHT-UHFFFAOYSA-N	-1	0	287.341	0.989	20	30		CCEDRM
C#CCC[C@@H](O)CNC(=O)Nc1cccc(C(=O)[O-])n1	ZINC001588435427	964022692	/nfs/dbraw/zinc/02/26/92/964022692.db2.gz	PSAPVHHRWYECRG-SECBINFHSA-N	-1	0	277.280	0.676	20	30		CCEDRM
C#CCCCC(=O)O[C@@H]1CCN(CCC(=O)[O-])C1=O	ZINC001588440450	964037902	/nfs/dbraw/zinc/03/79/02/964037902.db2.gz	UUNCWQRFVUBYEV-SNVBAGLBSA-N	-1	0	267.281	0.409	20	30		CCEDRM
C#CCCCC(=O)O[C@@H]1COC[C@H]1n1cc(C(=O)[O-])nn1	ZINC001588440407	964038283	/nfs/dbraw/zinc/03/82/83/964038283.db2.gz	SRYMVAODGHLESZ-GHMZBOCLSA-N	-1	0	293.279	0.263	20	30		CCEDRM
C=C(C)C[C@H](NC(C)=O)C(=O)NCCCC(=O)[O-]	ZINC001588441862	964053484	/nfs/dbraw/zinc/05/34/84/964053484.db2.gz	MMQAQZXLVBBBDS-JTQLQIEISA-N	-1	0	256.302	0.438	20	30		CCEDRM
N#CCNC(=O)CN1Cc2ccccc2[C@@H](C(=O)[O-])C1	ZINC000087612287	967583501	/nfs/dbraw/zinc/58/35/01/967583501.db2.gz	FHGQJFDKVVSRON-LBPRGKRZSA-N	-1	0	273.292	0.310	20	30		CCEDRM
C=C(C)CN(CC)C(=O)c1cn(CC(=O)[O-])nn1	ZINC000090718082	967591023	/nfs/dbraw/zinc/59/10/23/967591023.db2.gz	QNEFMIQGTXSABE-UHFFFAOYSA-N	-1	0	252.274	0.401	20	30		CCEDRM
C#CCN(CC(=O)[O-])C(=O)COc1ccccc1C	ZINC000092478243	967595942	/nfs/dbraw/zinc/59/59/42/967595942.db2.gz	YGYJEOJZNJHWLU-UHFFFAOYSA-N	-1	0	261.277	0.920	20	30		CCEDRM
C=CCN(C(=O)c1cn(CC(=O)[O-])nn1)C(C)C	ZINC000165789422	967671258	/nfs/dbraw/zinc/67/12/58/967671258.db2.gz	GDSYTWMMEHHFDB-UHFFFAOYSA-N	-1	0	252.274	0.399	20	30		CCEDRM
C[C@](C#N)(CC(=O)[O-])C(=O)N[C@@H]1C[C@@H](O)C1(C)C	ZINC001609691407	970448277	/nfs/dbraw/zinc/44/82/77/970448277.db2.gz	NLZJEIHEBLYAPY-DNSOKLHBSA-N	-1	0	254.286	0.267	20	30		CCEDRM
C=CCC[C@@H](CO)NS(=O)(=O)c1ccc(C(=O)[O-])o1	ZINC000320144083	970619883	/nfs/dbraw/zinc/61/98/83/970619883.db2.gz	MJQTXCPTPHVWKA-QMMMGPOBSA-N	-1	0	289.309	0.583	20	30		CCEDRM
C=CC[C@H](CC)NS(=O)(=O)N1CCC(C(=O)[O-])CC1	ZINC000393783936	972640550	/nfs/dbraw/zinc/64/05/50/972640550.db2.gz	YDCFYNIULMVOSG-NSHDSACASA-N	-1	0	290.385	0.972	20	30		CCEDRM
Cc1cc(C#N)cnc1C(=O)N[C@H]1C[C@@H](C(=O)[O-])C1	ZINC001605102370	972760588	/nfs/dbraw/zinc/76/05/88/972760588.db2.gz	YJJXELHENQVAHT-AOOOYVTPSA-N	-1	0	259.265	0.855	20	30		CCEDRM
C=C(C)CCNS(=O)(=O)N(C)CCC(=O)[O-]	ZINC000395258424	972783628	/nfs/dbraw/zinc/78/36/28/972783628.db2.gz	BNOHNSMFQOYETE-UHFFFAOYSA-N	-1	0	250.320	0.194	20	30		CCEDRM
C[C@@H]1C[C@H](C(=O)[O-])CN(C(=O)C(=O)NCCCCC#N)C1	ZINC001603355906	972808003	/nfs/dbraw/zinc/80/80/03/972808003.db2.gz	YCPFTTBJQLKITC-MNOVXSKESA-N	-1	0	295.339	0.366	20	30		CCEDRM
C#CC[C@@H](NS(=O)(=O)Cc1ccccc1F)C(=O)[O-]	ZINC000396559139	972916706	/nfs/dbraw/zinc/91/67/06/972916706.db2.gz	WXZFJNOQHGCMLZ-LLVKDONJSA-N	-1	0	285.296	0.722	20	30		CCEDRM
O=C([O-])/C=C/c1cc(C(=O)N[C@@H]2CCN(O)C2=O)co1	ZINC001606064019	973196773	/nfs/dbraw/zinc/19/67/73/973196773.db2.gz	XBGXSJIRPYPDDH-GPYPMJJRSA-N	-1	0	280.236	0.097	20	30		CCEDRM
CO[C@H](C(=O)[O-])C(=O)Oc1ccc(C#N)cc1F	ZINC001604445674	973260255	/nfs/dbraw/zinc/26/02/55/973260255.db2.gz	LINIUEHDXGEXJQ-SECBINFHSA-N	-1	0	253.185	0.702	20	30		CCEDRM
O=C([O-])CCC(=O)NCc1ccc(C(=O)NO)cc1	ZINC001606098729	973275322	/nfs/dbraw/zinc/27/53/22/973275322.db2.gz	DATOWCMCHFNSGW-UHFFFAOYSA-N	-1	0	266.253	0.287	20	30		CCEDRM
CO[C@](C)(C(=O)[O-])C(=O)OCc1ccnc(C#N)c1	ZINC001604472989	973361734	/nfs/dbraw/zinc/36/17/34/973361734.db2.gz	NJDDJDCWTLYUBP-GFCCVEGCSA-N	-1	0	264.237	0.486	20	30		CCEDRM
C#CCCCCNC(=O)N1C[C@H](O)C[C@H](C(=O)[O-])C1	ZINC000401833012	973431158	/nfs/dbraw/zinc/43/11/58/973431158.db2.gz	JOGXXXABTNBGMN-WDEREUQCSA-N	-1	0	268.313	0.267	20	30		CCEDRM
CC[C@@H](C(=O)[O-])N(C)CC(=O)N[C@@](C)(C#N)C(C)C	ZINC001603498743	973462709	/nfs/dbraw/zinc/46/27/09/973462709.db2.gz	XNJBLIPKFMEVJN-GWCFXTLKSA-N	-1	0	269.345	0.836	20	30		CCEDRM
CC[C@](C)(C#N)C(=O)NCCOCCOCC(=O)[O-]	ZINC001603504535	973478385	/nfs/dbraw/zinc/47/83/85/973478385.db2.gz	AWONQGNCYZMPFN-GFCCVEGCSA-N	-1	0	272.301	0.160	20	30		CCEDRM
Cc1onc(CC(=O)N[C@H]2CC[C@@H](C(=O)[O-])C2)c1C#N	ZINC001605459899	973550109	/nfs/dbraw/zinc/55/01/09/973550109.db2.gz	BTZUPSDZXLBHJR-BDAKNGLRSA-N	-1	0	277.280	0.767	20	30		CCEDRM
Cn1cc(C#N)c(NC(=O)c2cnc(C(=O)[O-])cn2)n1	ZINC001605476496	973590144	/nfs/dbraw/zinc/59/01/44/973590144.db2.gz	BJYCDBQEWGPIAV-UHFFFAOYSA-N	-1	0	272.224	0.032	20	30		CCEDRM
N#CCC1(CNS(=O)(=O)c2ccc(C(=O)[O-])o2)CC1	ZINC000404134562	973705492	/nfs/dbraw/zinc/70/54/92/973705492.db2.gz	VGIUKCXQIUXQTE-UHFFFAOYSA-N	-1	0	284.293	0.950	20	30		CCEDRM
COCc1cc(C#N)ccc1N1CCO[C@@H](C(=O)[O-])C1	ZINC001604640791	973772875	/nfs/dbraw/zinc/77/28/75/973772875.db2.gz	NSDHGVQKZASTJM-CYBMUJFWSA-N	-1	0	276.292	0.994	20	30		CCEDRM
CON=CC(=O)NC[C@@H]1CCC2(CC(C(=O)[O-])C2)O1	ZINC001604661741	973837557	/nfs/dbraw/zinc/83/75/57/973837557.db2.gz	PUWUYAJPVOEMDC-XEVUQIKYSA-N	-1	0	270.285	0.147	20	30		CCEDRM
N#CC1(CC(=O)NC2(CC(=O)[O-])CCOCC2)CC1	ZINC001605575757	973840363	/nfs/dbraw/zinc/84/03/63/973840363.db2.gz	DNYQGONTWJWHSX-UHFFFAOYSA-N	-1	0	266.297	0.820	20	30		CCEDRM
N#CC(C(=O)COCC(=O)[O-])c1nc2ccccc2[nH]1	ZINC001605576168	973845361	/nfs/dbraw/zinc/84/53/61/973845361.db2.gz	KOZKLKXOCLUUAD-MRVPVSSYSA-N	-1	0	273.248	0.840	20	30		CCEDRM
N#C[C@H](NC(=O)[C@H]1CO[C@@H](CCC(=O)[O-])C1)C1CC1	ZINC001605577327	973857265	/nfs/dbraw/zinc/85/72/65/973857265.db2.gz	ZMKVGRDEHCPRIF-VWYCJHECSA-N	-1	0	266.297	0.675	20	30		CCEDRM
COc1ccc(CCNC(=O)[C@@](C)(C#N)CC(=O)[O-])cn1	ZINC001604781904	974012930	/nfs/dbraw/zinc/01/29/30/974012930.db2.gz	NCOAVTLWKYUNEI-CQSZACIVSA-N	-1	0	291.307	0.753	20	30		CCEDRM
CCOC(=O)c1nc(NC(=O)[C@](C)(C#N)CC(=O)[O-])c[nH]1	ZINC001603819815	974306554	/nfs/dbraw/zinc/30/65/54/974306554.db2.gz	ZKPZBMBFNXEQNF-LBPRGKRZSA-N	-1	0	294.267	0.529	20	30		CCEDRM
CN(C(=O)[C@](C)(C#N)CC(=O)[O-])c1ccn(C)n1	ZINC001604025106	974549376	/nfs/dbraw/zinc/54/93/76/974549376.db2.gz	REKPFCYTTKRFFK-NSHDSACASA-N	-1	0	250.258	0.387	20	30		CCEDRM
CC(C)c1nc(C(=O)N(CC#N)CCC(=O)[O-])c[nH]1	ZINC001592008161	976673817	/nfs/dbraw/zinc/67/38/17/976673817.db2.gz	DXAJQXWMDXIRQV-UHFFFAOYSA-N	-1	0	264.285	0.974	20	30		CCEDRM
CC(C)n1ncnc1Cn1cc(C(=O)[O-])cc(C#N)c1=O	ZINC001592171870	977076186	/nfs/dbraw/zinc/07/61/86/977076186.db2.gz	RJKRALGTBRNPJU-UHFFFAOYSA-N	-1	0	287.279	0.639	20	30		CCEDRM
C[C@@H](CC#N)C(=O)N1CCC[C@H](n2cc(C(=O)[O-])nn2)C1	ZINC001592210741	977256248	/nfs/dbraw/zinc/25/62/48/977256248.db2.gz	GKBYVKCPOLPSBH-UWVGGRQHSA-N	-1	0	291.311	0.690	20	30		CCEDRM
C[C@H](CC#N)NS(=O)(=O)[C@@H]1CCCC[C@H]1C(=O)[O-]	ZINC001592222590	977409454	/nfs/dbraw/zinc/40/94/54/977409454.db2.gz	ZBNJUVNSXQJZDR-OPRDCNLKSA-N	-1	0	274.342	0.851	20	30		CCEDRM
C[C@H](CN(C)C(=O)C1CC2(C1)C[NH2+]C[C@H]2C#N)C(=O)[O-]	ZINC001592570005	978466578	/nfs/dbraw/zinc/46/65/78/978466578.db2.gz	UIDSJMKGWCSXHB-FQYCYVTBSA-N	-1	0	279.340	0.305	20	30		CCEDRM
CC[C@@H](CC#N)NS(=O)(=O)c1occc1C(=O)[O-]	ZINC001595030620	979169086	/nfs/dbraw/zinc/16/90/86/979169086.db2.gz	UFEVSIAJMGMYFN-ZETCQYMHSA-N	-1	0	272.282	0.948	20	30		CCEDRM
CC[C@@H](CC#N)NS(=O)(=O)CC(C)(C)C(=O)[O-]	ZINC001595030816	979170169	/nfs/dbraw/zinc/17/01/69/979170169.db2.gz	WQLDCDOBYNGHSZ-QMMMGPOBSA-N	-1	0	262.331	0.709	20	30		CCEDRM
CC[C@H](CNC(=O)[C@@H](C)C#N)Nc1ncc(C(=O)[O-])cn1	ZINC001595135058	979571002	/nfs/dbraw/zinc/57/10/02/979571002.db2.gz	ISGLCWAZFXACCY-WCBMZHEXSA-N	-1	0	291.311	0.641	20	30		CCEDRM
CC[C@@](COC)(NC(=O)c1cccc(C#N)n1)C(=O)[O-]	ZINC001595193069	979883244	/nfs/dbraw/zinc/88/32/44/979883244.db2.gz	BOHDZTHSFVQQQG-ZDUSSCGKSA-N	-1	0	277.280	0.563	20	30		CCEDRM
C[C@@H](NC(=O)N1CC(O)(C(=O)[O-])C1)c1ccc(C#N)cc1	ZINC001593049890	980339281	/nfs/dbraw/zinc/33/92/81/980339281.db2.gz	BGMXSGVPIQSBHK-SECBINFHSA-N	-1	0	289.291	0.460	20	30		CCEDRM
CC[C@H](C)N(CC(=O)[O-])C(=O)[C@@H](C)n1cnc(C#N)n1	ZINC001594967793	982730212	/nfs/dbraw/zinc/73/02/12/982730212.db2.gz	BPQIOHFMRBPTEC-DTWKUNHWSA-N	-1	0	279.300	0.422	20	30		CCEDRM
C#C[C@@H](C)N(C)S(=O)(=O)c1cccnc1C(=O)[O-]	ZINC001588367885	983301742	/nfs/dbraw/zinc/30/17/42/983301742.db2.gz	CBMLZNUXOGKSQQ-MRVPVSSYSA-N	-1	0	268.294	0.422	20	30		CCEDRM
C#C[C@@H](CC)NC(=O)N[C@H]1C[C@@H]2C[C@]2(C(=O)[O-])C1	ZINC001588369214	983312022	/nfs/dbraw/zinc/31/20/22/983312022.db2.gz	FVAXFXXIVYOJFS-QYTUQVAYSA-N	-1	0	250.298	0.951	20	30		CCEDRM
C#C[C@@H](CC)NC(=O)C(=O)Nc1ccc(F)cc1C(=O)[O-]	ZINC001588369472	983314211	/nfs/dbraw/zinc/31/42/11/983314211.db2.gz	MWDNVFNSCYXESK-VIFPVBQESA-N	-1	0	292.266	0.990	20	30		CCEDRM
C#C[C@H](N[C@@H](C(=O)[O-])c1cccnc1)[C@H]1CCCO1	ZINC001588376701	983353211	/nfs/dbraw/zinc/35/32/11/983353211.db2.gz	GFBRHWZMKWCSMV-YNEHKIRRSA-N	-1	0	260.293	0.978	20	30		CCEDRM
C#C[C@@H]1CCCCN1C(=O)c1cc(C(=O)[O-])nn1C	ZINC001588382108	983368790	/nfs/dbraw/zinc/36/87/90/983368790.db2.gz	GQCBDYTYMPFZSY-SECBINFHSA-N	-1	0	261.281	0.746	20	30		CCEDRM
C#CC1(O)CN(Cc2ccccc2O[C@H](C)C(=O)[O-])C1	ZINC001588382289	983369666	/nfs/dbraw/zinc/36/96/66/983369666.db2.gz	LUFUQCAORXRDNA-LLVKDONJSA-N	-1	0	275.304	0.718	20	30		CCEDRM
C#CC1CCN(Cn2nc(C(=O)[O-])cc2C(=O)OC)CC1	ZINC001588382515	983372136	/nfs/dbraw/zinc/37/21/36/983372136.db2.gz	AVEXXKOMCOSKEB-UHFFFAOYSA-N	-1	0	291.307	0.671	20	30		CCEDRM
C#C[C@H]1CCCN(C(=O)Cn2cccc(C(=O)[O-])c2=O)C1	ZINC001588382781	983374336	/nfs/dbraw/zinc/37/43/36/983374336.db2.gz	IQQSKRHYJPDPQK-NSHDSACASA-N	-1	0	288.303	0.418	20	30		CCEDRM
C#CC1CCN(C(=O)C(=O)N[C@H]2CC[C@@H](C(=O)[O-])C2)CC1	ZINC001588383123	983377203	/nfs/dbraw/zinc/37/72/03/983377203.db2.gz	OBWJYWRIFPAKIX-NEPJUHHUSA-N	-1	0	292.335	0.228	20	30		CCEDRM
C#CCC(CC#C)C(=O)OCCc1cn(CC(=O)[O-])nn1	ZINC001588390286	983393005	/nfs/dbraw/zinc/39/30/05/983393005.db2.gz	PZELQBJNFCQDMY-UHFFFAOYSA-N	-1	0	289.291	0.111	20	30		CCEDRM
C#CC[C@H](COC)NC(=O)Nc1cccc(CC(=O)[O-])n1	ZINC001588393680	983399783	/nfs/dbraw/zinc/39/97/83/983399783.db2.gz	FIMFUVFCYLVGSQ-LLVKDONJSA-N	-1	0	291.307	0.869	20	30		CCEDRM
C#CC[C@@H](CCOC)NC(=O)CCSCC(=O)[O-]	ZINC001588396554	983408870	/nfs/dbraw/zinc/40/88/70/983408870.db2.gz	XPJPLWXQCDKSBE-JTQLQIEISA-N	-1	0	273.354	0.739	20	30		CCEDRM
C#CC[C@@H](NC(=O)[C@H](NC(=O)OCC)C(C)C)C(=O)[O-]	ZINC001588398032	983410537	/nfs/dbraw/zinc/41/05/37/983410537.db2.gz	BGOOQSJSDBGYNQ-NXEZZACHSA-N	-1	0	284.312	0.350	20	30		CCEDRM
C#CC[C@H](NC(=O)CN1C(=C)c2ccccc2C1=O)C(=O)[O-]	ZINC001588404365	983417411	/nfs/dbraw/zinc/41/74/11/983417411.db2.gz	AMOVVGJHEVFKIR-ZDUSSCGKSA-N	-1	0	298.298	0.706	20	30		CCEDRM
C#CC[C@@H](NC(=O)CCc1ccc(C(N)=O)cc1)C(=O)[O-]	ZINC001588404701	983418896	/nfs/dbraw/zinc/41/88/96/983418896.db2.gz	GUPFGITWTBFALR-GFCCVEGCSA-N	-1	0	288.303	0.311	20	30		CCEDRM
C#CC[C@@H](NC(=O)C[C@H]1NC(=O)c2ccccc21)C(=O)[O-]	ZINC001588405985	983423474	/nfs/dbraw/zinc/42/34/74/983423474.db2.gz	LCDKEQWLWIMZEQ-VXGBXAGGSA-N	-1	0	286.287	0.454	20	30		CCEDRM
C#CC[C@H](NC(=O)CCCCC(=O)[O-])C(=O)OC	ZINC001588407109	983427283	/nfs/dbraw/zinc/42/72/83/983427283.db2.gz	WOZKCCHVJMZNKI-VIFPVBQESA-N	-1	0	255.270	0.313	20	30		CCEDRM
C#CC[C@H](NC(=O)/C=C\CN(C)CC(F)(F)F)C(=O)[O-]	ZINC001588407295	983428040	/nfs/dbraw/zinc/42/80/40/983428040.db2.gz	YJCBKRWYLGMTPN-RNEXMXFGSA-N	-1	0	292.257	0.629	20	30		CCEDRM
C#CC[C@@H](NC(=O)[C@H]1CC[C@@H](CCC(=O)OC)O1)C(=O)[O-]	ZINC001588407412	983428182	/nfs/dbraw/zinc/42/81/82/983428182.db2.gz	HMOHYEWAINBXLC-HBNTYKKESA-N	-1	0	297.307	0.080	20	30		CCEDRM
C#CC[C@H](NC(=O)[C@H]1CC[C@@H](C(=O)OCC)C1)C(=O)[O-]	ZINC001588407530	983428744	/nfs/dbraw/zinc/42/87/44/983428744.db2.gz	JOOCCJAOSSTYMF-AXFHLTTASA-N	-1	0	281.308	0.559	20	30		CCEDRM
C#CC[C@H](NC(=O)c1cccc2c1OCO2)C(=O)[O-]	ZINC001588417183	983439157	/nfs/dbraw/zinc/43/91/57/983439157.db2.gz	ZOYVFOZJOISDKB-VIFPVBQESA-N	-1	0	261.233	0.622	20	30		CCEDRM
C#CC[C@@H](NC(=O)c1oc(C(=O)[O-])cc1C)C(=O)OC	ZINC001588422282	983445581	/nfs/dbraw/zinc/44/55/81/983445581.db2.gz	VRFOAVWJTURRON-MRVPVSSYSA-N	-1	0	279.248	0.581	20	30		CCEDRM
C#CCC[C@@H](O)CNC(=O)N[C@H]1CC[C@@H](CC(=O)[O-])C1	ZINC001588435134	983474832	/nfs/dbraw/zinc/47/48/32/983474832.db2.gz	DKCZRMROSBVPMO-GRYCIOLGSA-N	-1	0	282.340	0.703	20	30		CCEDRM
C#CCN(C)C(=O)NCc1cc(C(=O)[O-])c(C)n1C	ZINC001588461446	983489750	/nfs/dbraw/zinc/48/97/50/983489750.db2.gz	PSJXBHRCDFHIMP-UHFFFAOYSA-N	-1	0	263.297	0.806	20	30		CCEDRM
C#CCN(C1CC1)S(=O)(=O)CC1(C(=O)[O-])CCC1	ZINC001588463782	983492284	/nfs/dbraw/zinc/49/22/84/983492284.db2.gz	KQEOUEFUUCNMQK-UHFFFAOYSA-N	-1	0	271.338	0.669	20	30		CCEDRM
C#CCNC(=O)[C@H](C)OC(=O)c1[nH]c(C)c(C(=O)[O-])c1C	ZINC001588479351	983519123	/nfs/dbraw/zinc/51/91/23/983519123.db2.gz	KFKKVPXJXYFAOL-VIFPVBQESA-N	-1	0	292.291	0.624	20	30		CCEDRM
C#CCO[C@@H](C)C(=O)OCC(=O)c1cc(C(=O)[O-])co1	ZINC001588490552	983533049	/nfs/dbraw/zinc/53/30/49/983533049.db2.gz	PDUJHKWAJNMWFY-QMMMGPOBSA-N	-1	0	280.232	0.742	20	30		CCEDRM
C#CCO[C@H](C)C(=O)N1CCC2(CC(C(=O)[O-])=NO2)CC1	ZINC001588490712	983533796	/nfs/dbraw/zinc/53/37/96/983533796.db2.gz	WBCXXEVXAHHCLM-SNVBAGLBSA-N	-1	0	294.307	0.247	20	30		CCEDRM
C#CCO[C@H](C)C(=O)N1CC[C@@H](C(=O)[O-])[C@@H](C)C1	ZINC001588490828	983534501	/nfs/dbraw/zinc/53/45/01/983534501.db2.gz	ZKCZTTFYOAYZEP-HBNTYKKESA-N	-1	0	253.298	0.594	20	30		CCEDRM
C#CCOCCNC(=O)c1ccsc1C(=O)[O-]	ZINC001588491540	983536589	/nfs/dbraw/zinc/53/65/89/983536589.db2.gz	OWBXGJWSZQQNBN-UHFFFAOYSA-N	-1	0	253.279	0.826	20	30		CCEDRM
C#C[C@H]1CC[C@H](NS(=O)(=O)N(C)CCC(=O)[O-])CC1	ZINC001588510807	983557212	/nfs/dbraw/zinc/55/72/12/983557212.db2.gz	MMVIQGGWPAKDOS-XYPYZODXSA-N	-1	0	288.369	0.419	20	30		CCEDRM
C#Cc1ccc(C(=O)N[C@@](C)(Cn2cccn2)C(=O)[O-])nc1	ZINC001588510858	983557675	/nfs/dbraw/zinc/55/76/75/983557675.db2.gz	MOGMMJUODIXPKP-HNNXBMFYSA-N	-1	0	298.302	0.533	20	30		CCEDRM
C#Cc1ccc(S(=O)(=O)N[C@](C)(COC)C(=O)[O-])cc1	ZINC001588517679	983566170	/nfs/dbraw/zinc/56/61/70/983566170.db2.gz	DZTUEEJTWPCKOJ-CYBMUJFWSA-N	-1	0	297.332	0.436	20	30		CCEDRM
C#Cc1ccc(S(=O)(=O)NC[C@H]2C[C@H]2C(=O)[O-])cc1	ZINC001588518162	983568254	/nfs/dbraw/zinc/56/82/54/983568254.db2.gz	SSKOOODOENUEJJ-ZYHUDNBSSA-N	-1	0	279.317	0.667	20	30		CCEDRM
C#Cc1cnc(N2CC[C@@]3(CC(C(=O)[O-])=NO3)C2)nc1	ZINC001588529201	983580309	/nfs/dbraw/zinc/58/03/09/983580309.db2.gz	SJQOCAFLUOPMKB-CYBMUJFWSA-N	-1	0	272.264	0.268	20	30		CCEDRM
C=C(C)C[C@@H](C)C(=O)N(CCN1CCOCC1)CC(=O)[O-]	ZINC001588535174	983588313	/nfs/dbraw/zinc/58/83/13/983588313.db2.gz	FVJPHACWAJIDDS-CYBMUJFWSA-N	-1	0	298.383	0.834	20	30		CCEDRM
C=C(C)C[C@H](NC(=O)c1c[nH]c(C(=O)OC)c1)C(=O)[O-]	ZINC001588544164	983613376	/nfs/dbraw/zinc/61/33/76/983613376.db2.gz	VNKSVESYAOGLDC-VIFPVBQESA-N	-1	0	280.280	0.951	20	30		CCEDRM
C=C(C)C[C@@H](NC(=O)c1cn(C)ccc1=O)C(=O)[O-]	ZINC001588549109	983626326	/nfs/dbraw/zinc/62/63/26/983626326.db2.gz	XQAVPKLNDZZAJN-SNVBAGLBSA-N	-1	0	264.281	0.535	20	30		CCEDRM
C=C(C)CCC(=O)N[C@H](Cc1c[nH]cn1)C(=O)[O-]	ZINC001588554377	983630740	/nfs/dbraw/zinc/63/07/40/983630740.db2.gz	GPJDUFWGSXMLDA-SNVBAGLBSA-N	-1	0	251.286	0.878	20	30		CCEDRM
C=C(C)C[C@@H]1NC(=O)N(C/C=C(/C)C(=O)[O-])C1=O	ZINC001588554937	983632644	/nfs/dbraw/zinc/63/26/44/983632644.db2.gz	VFFSBTIAQORBMU-OTOXVQDCSA-N	-1	0	252.270	0.904	20	30		CCEDRM
C=C(C)CONC(=O)NC[C@H]1CCO[C@H]1C(=O)[O-]	ZINC001588573247	983651811	/nfs/dbraw/zinc/65/18/11/983651811.db2.gz	GFVJPKVNZZKQEF-RKDXNWHRSA-N	-1	0	258.274	0.283	20	30		CCEDRM
C=C(C)CS(=O)(=O)N[C@H](C(=O)[O-])c1ccn(C)n1	ZINC001588577415	983656617	/nfs/dbraw/zinc/65/66/17/983656617.db2.gz	VRQFKISEEQSJLC-VIFPVBQESA-N	-1	0	273.314	0.041	20	30		CCEDRM
C=C(C)Cn1nnnc1N1CCC[C@]1(COC)C(=O)[O-]	ZINC001588599193	983688613	/nfs/dbraw/zinc/68/86/13/983688613.db2.gz	IBZOWDBCZKAJJH-LBPRGKRZSA-N	-1	0	281.316	0.319	20	30		CCEDRM
C=C(C)Cn1nnnc1N(C[C@H](C)C(=O)[O-])C1CC1	ZINC001588599454	983690198	/nfs/dbraw/zinc/69/01/98/983690198.db2.gz	QQNUKGQEOCSGQM-VIFPVBQESA-N	-1	0	265.317	0.939	20	30		CCEDRM
C=C(CCC(=O)[O-])C(=O)N1[C@H](C)C(=O)N[C@@H](C)[C@@H]1C	ZINC001588612715	983703811	/nfs/dbraw/zinc/70/38/11/983703811.db2.gz	WMAFKOPREKALQV-LPEHRKFASA-N	-1	0	268.313	0.531	20	30		CCEDRM
C=C(CCC(=O)[O-])C(=O)N1CC[N@@H+](CC)C[C@@H]1C	ZINC001588615014	983709282	/nfs/dbraw/zinc/70/92/82/983709282.db2.gz	HJZDNLATFIZUJK-NSHDSACASA-N	-1	0	254.330	0.960	20	30		CCEDRM
C=C(CCC(=O)[O-])C(=O)N1CCN(C(C)=O)CC1(C)C	ZINC001588615477	983712355	/nfs/dbraw/zinc/71/23/55/983712355.db2.gz	VXCMTLSRBISNHS-UHFFFAOYSA-N	-1	0	282.340	0.877	20	30		CCEDRM
C=C(CCC(=O)[O-])C(=O)NC(C)(C)c1cn(C)nn1	ZINC001588619343	983716312	/nfs/dbraw/zinc/71/63/12/983716312.db2.gz	QWORBZUFGYZIRS-UHFFFAOYSA-N	-1	0	266.301	0.587	20	30		CCEDRM
C=C(CCC(=O)[O-])C(=O)N1CCOC[C@@H]1CCOC	ZINC001588619518	983716972	/nfs/dbraw/zinc/71/69/72/983716972.db2.gz	WMMKDAJSIOTXPC-NSHDSACASA-N	-1	0	271.313	0.671	20	30		CCEDRM
C=C(CCC(=O)[O-])C(=O)NC1(CO)CCOCC1	ZINC001588621462	983719200	/nfs/dbraw/zinc/71/92/00/983719200.db2.gz	DSZBVFMLXVBPIJ-UHFFFAOYSA-N	-1	0	257.286	0.065	20	30		CCEDRM
C=C(CCC(=O)[O-])C(=O)N[C@@]1(CC(=O)OC)CCCOC1	ZINC001588622156	983722254	/nfs/dbraw/zinc/72/22/54/983722254.db2.gz	QGHQOLGLTTYLKT-CQSZACIVSA-N	-1	0	299.323	0.636	20	30		CCEDRM
CCN(CCC#N)S(=O)(=O)NC1CC(CC(=O)[O-])C1	ZINC001596300406	983729778	/nfs/dbraw/zinc/72/97/78/983729778.db2.gz	ZDJCSSARRCTTQB-UHFFFAOYSA-N	-1	0	289.357	0.310	20	30		CCEDRM
C=C(CCC(=O)[O-])C(=O)NC[C@H](O)COCC(C)C	ZINC001588623845	983730151	/nfs/dbraw/zinc/73/01/51/983730151.db2.gz	YXOWSJODFKBVPS-NSHDSACASA-N	-1	0	273.329	0.557	20	30		CCEDRM
C=C(CCC(=O)[O-])C(=O)NC[C@H]1CCCCS1(=O)=O	ZINC001588624762	983734905	/nfs/dbraw/zinc/73/49/05/983734905.db2.gz	VXSVKGNFZBZVQX-SNVBAGLBSA-N	-1	0	289.353	0.491	20	30		CCEDRM
C=C(CCC(=O)[O-])C(=O)NCCSCC(=O)OC	ZINC001588624867	983735377	/nfs/dbraw/zinc/73/53/77/983735377.db2.gz	ZBVDKWRPNHRCFL-UHFFFAOYSA-N	-1	0	275.326	0.430	20	30		CCEDRM
C=C(COC(=O)Cn1ccc(C(=O)[O-])n1)C(=O)OCC	ZINC001588637438	983760390	/nfs/dbraw/zinc/76/03/90/983760390.db2.gz	OSGZCBKQEBLCEW-UHFFFAOYSA-N	-1	0	282.252	0.244	20	30		CCEDRM
C=C[C@H](C(=O)[O-])[N@H+]1C[C@H](C)O[C@]2(CCO[C@@H]2C)C1	ZINC001588663960	983797788	/nfs/dbraw/zinc/79/77/88/983797788.db2.gz	MIHVHFUBTNGGOI-SBFPOUOMSA-N	-1	0	255.314	0.894	20	30		CCEDRM
C=C[C@@H](C(=O)[O-])N1CCN(CC(=O)N[C@@H](C)CC)CC1	ZINC001588668919	983807358	/nfs/dbraw/zinc/80/73/58/983807358.db2.gz	CQDGSZXNGPUSAC-RYUDHWBXSA-N	-1	0	283.372	0.158	20	30		CCEDRM
C=C[C@H](C(=O)[O-])N1CCN(C2=NC[C@H](C)S2)CC1	ZINC001588669823	983815625	/nfs/dbraw/zinc/81/56/25/983815625.db2.gz	QNQKSWWAKCVZSU-VHSXEESVSA-N	-1	0	269.370	0.735	20	30		CCEDRM
C=C[C@@](C)(O)CC(=O)NCCc1ncc(C(=O)[O-])s1	ZINC001588683748	983850308	/nfs/dbraw/zinc/85/03/08/983850308.db2.gz	DEMLTELAUUFJNU-GFCCVEGCSA-N	-1	0	284.337	0.827	20	30		CCEDRM
C=C[C@](C)(O)CC(=O)N1C[C@@H](C(=O)OC)CC[C@@H]1C(=O)[O-]	ZINC001588684042	983854832	/nfs/dbraw/zinc/85/48/32/983854832.db2.gz	JNXYTTBSWYJYKL-RBZYPMLTSA-N	-1	0	299.323	0.178	20	30		CCEDRM
C=C[C@](C)(O)CC(=O)N[C@H](CCC1OCCO1)C(=O)[O-]	ZINC001588684386	983858943	/nfs/dbraw/zinc/85/89/43/983858943.db2.gz	PSDMQBITAMGHFY-RNCFNFMXSA-N	-1	0	287.312	0.036	20	30		CCEDRM
C=C[C@@](C)(O)CC(=O)N[C@H](CCC1OCCO1)C(=O)[O-]	ZINC001588684385	983858965	/nfs/dbraw/zinc/85/89/65/983858965.db2.gz	PSDMQBITAMGHFY-NOZJJQNGSA-N	-1	0	287.312	0.036	20	30		CCEDRM
C=C[C@@](C)(O)CC(=O)N(C)[C@H](COC1CCC1)C(=O)[O-]	ZINC001588684703	983863144	/nfs/dbraw/zinc/86/31/44/983863144.db2.gz	WVPGFVZGQQVKDB-BXUZGUMPSA-N	-1	0	285.340	0.794	20	30		CCEDRM
C=C[C@](C)(O)CC(=O)N1CC[C@H](C(=O)[O-])C[C@H]1C(=O)OC	ZINC001588684774	983864241	/nfs/dbraw/zinc/86/42/41/983864241.db2.gz	YAGSPQKOWAGCSS-BHDSKKPTSA-N	-1	0	299.323	0.178	20	30		CCEDRM
C=C[C@](C)(O)CC(=O)N1CC[C@@H](C(=O)[O-])C[C@@H]1C(=O)OC	ZINC001588684776	983864275	/nfs/dbraw/zinc/86/42/75/983864275.db2.gz	YAGSPQKOWAGCSS-RULNRJAQSA-N	-1	0	299.323	0.178	20	30		CCEDRM
C=C[C@H](CC)CC(=O)N1CCS(=O)(=O)C[C@@H]1C(=O)[O-]	ZINC001588691379	983880800	/nfs/dbraw/zinc/88/08/00/983880800.db2.gz	ZJRUYZATLGYOHG-NXEZZACHSA-N	-1	0	289.353	0.299	20	30		CCEDRM
C=C[C@H](COC)NC(=O)N[C@H]1CC[C@@H](C(=O)[O-])C1	ZINC001588692561	983883523	/nfs/dbraw/zinc/88/35/23/983883523.db2.gz	DTNHWCQBBOMIIW-BBBLOLIVSA-N	-1	0	256.302	0.740	20	30		CCEDRM
C=C[C@@H](COC)NC(=O)N1C[C@H]2[C@H](C(=O)[O-])[C@H]2C1	ZINC001588692783	983885966	/nfs/dbraw/zinc/88/59/66/983885966.db2.gz	JXGWFQPXIIJJED-AXTSPUMRSA-N	-1	0	254.286	0.159	20	30		CCEDRM
C=C[C@@H](N[C@@H]1CCN(c2cc(C)nn2C)C1=O)C(=O)[O-]	ZINC001588696549	983902939	/nfs/dbraw/zinc/90/29/39/983902939.db2.gz	OWNNVHAAQPRLNS-NXEZZACHSA-N	-1	0	278.312	0.063	20	30		CCEDRM
C=C[C@H](OC(=O)C1=NN(CC(C)C)C(=O)CC1)C(=O)[O-]	ZINC001588706073	983929342	/nfs/dbraw/zinc/92/93/42/983929342.db2.gz	UABHTQJPPJKAQO-JTQLQIEISA-N	-1	0	282.296	0.803	20	30		CCEDRM
C=C[C@@H](OC(=O)c1cn(C(C)(C)C)nn1)C(=O)[O-]	ZINC001588711816	983939938	/nfs/dbraw/zinc/93/99/38/983939938.db2.gz	DQFKXSOISYLXJP-MRVPVSSYSA-N	-1	0	253.258	0.829	20	30		CCEDRM
C=C[C@H](OC(=O)c1cnn(CCOC)c1)C(=O)[O-]	ZINC001588712148	983942218	/nfs/dbraw/zinc/94/22/18/983942218.db2.gz	HOYGNROUCYRTBQ-VIFPVBQESA-N	-1	0	254.242	0.326	20	30		CCEDRM
C=CCC(F)(F)C(=O)N1CCC[C@@H](O)[C@@H]1C(=O)[O-]	ZINC001588743044	984035963	/nfs/dbraw/zinc/03/59/63/984035963.db2.gz	QITPYZUGLCGPNL-HTQZYQBOSA-N	-1	0	263.240	0.634	20	30		CCEDRM
C=CC[C@H](N[C@@H](C)c1nnnn1C1CC1)C(=O)[O-]	ZINC001588745536	984052852	/nfs/dbraw/zinc/05/28/52/984052852.db2.gz	KINJHYLBRPBSKK-CBAPKCEASA-N	-1	0	251.290	0.688	20	30		CCEDRM
C=CC[C@@H](OC(=O)[C@@]1(C)CCC(=O)NC1)C(=O)[O-]	ZINC001588752112	984079704	/nfs/dbraw/zinc/07/97/04/984079704.db2.gz	UNKPWNGUWPQLGL-PELKAZGASA-N	-1	0	255.270	0.475	20	30		CCEDRM
C=CC[C@H](OC(=O)CCc1ncccn1)C(=O)[O-]	ZINC001588753166	984083088	/nfs/dbraw/zinc/08/30/88/984083088.db2.gz	BGXOTDZMKIVMLA-VIFPVBQESA-N	-1	0	250.254	0.982	20	30		CCEDRM
C=CC[C@@H](OC(=O)Cn1ccc(C)cc1=O)C(=O)[O-]	ZINC001588757313	984102515	/nfs/dbraw/zinc/10/25/15/984102515.db2.gz	XZEKHWAVVIEDKI-SNVBAGLBSA-N	-1	0	265.265	0.729	20	30		CCEDRM
C=CC[C@H](Sc1nnc(C)n1CC(N)=O)C(=O)[O-]	ZINC001588762920	984117290	/nfs/dbraw/zinc/11/72/90/984117290.db2.gz	NGFPOTNKURJSLF-ZETCQYMHSA-N	-1	0	270.314	0.193	20	30		CCEDRM
C=CC[C@H]1CCN(C(=O)C(=O)NC[C@H]2C[C@H]2C(=O)[O-])C1	ZINC001588772702	984144615	/nfs/dbraw/zinc/14/46/15/984144615.db2.gz	MEADHHMCSPKZBK-HBNTYKKESA-N	-1	0	280.324	0.248	20	30		CCEDRM
C=CCCC(=O)NCC[C@H](C)Nc1ccnc(C(=O)[O-])n1	ZINC001588773631	984148426	/nfs/dbraw/zinc/14/84/26/984148426.db2.gz	BXWBIDRFACQXHN-JTQLQIEISA-N	-1	0	292.339	0.870	20	30		CCEDRM
C=CCC[C@@H](O)Cn1cc(CN2CCC[C@H]2C(=O)[O-])nn1	ZINC001588778781	984163207	/nfs/dbraw/zinc/16/32/07/984163207.db2.gz	LXNQPOCTNVVZLM-OLZOCXBDSA-N	-1	0	294.355	0.654	20	30		CCEDRM
C=CCCC[C@H](NC(=O)[C@@H](O)CC(=O)OCC)C(=O)[O-]	ZINC001588784953	984179189	/nfs/dbraw/zinc/17/91/89/984179189.db2.gz	DOHAPFROHFMRRZ-UWVGGRQHSA-N	-1	0	287.312	0.226	20	30		CCEDRM
C=CCCC[C@@H](NC(=O)c1cc(=O)cc[nH]1)C(=O)[O-]	ZINC001588792912	984214196	/nfs/dbraw/zinc/21/41/96/984214196.db2.gz	PQDMFUOGZWAETL-SNVBAGLBSA-N	-1	0	264.281	0.914	20	30		CCEDRM
C=CCCC[C@@H](NC(=O)c1cnc(C)nc1N)C(=O)[O-]	ZINC001588793706	984221163	/nfs/dbraw/zinc/22/11/63/984221163.db2.gz	XUQGFSXLUYQSFT-SNVBAGLBSA-N	-1	0	278.312	0.907	20	30		CCEDRM
C=CCCCNC(=O)C(=O)N1CCC[C@@H]1CC(=O)[O-]	ZINC001588801246	984244730	/nfs/dbraw/zinc/24/47/30/984244730.db2.gz	BTBNTZBFSSUASR-SNVBAGLBSA-N	-1	0	268.313	0.535	20	30		CCEDRM
C=CCCO[C@H](C)C(=O)N[C@@H](CC1OCCO1)C(=O)[O-]	ZINC001588808838	984263600	/nfs/dbraw/zinc/26/36/00/984263600.db2.gz	OAJPTEOFRQSVPA-ZJUUUORDSA-N	-1	0	287.312	0.300	20	30		CCEDRM
C=CCCOCC(=O)NCc1ccnc(C(=O)[O-])c1	ZINC001588810246	984265715	/nfs/dbraw/zinc/26/57/15/984265715.db2.gz	FZGXFZJVVOGNGQ-UHFFFAOYSA-N	-1	0	264.281	0.989	20	30		CCEDRM
C=CCCS(=O)(=O)NCC1(CC(=O)[O-])CCOCC1	ZINC001588813333	984269791	/nfs/dbraw/zinc/26/97/91/984269791.db2.gz	NHBKHHRQFIJHKR-UHFFFAOYSA-N	-1	0	291.369	0.753	20	30		CCEDRM
C=CCCOCCn1nnnc1N1C[C@@H](C)[C@H](C(=O)[O-])C1	ZINC001588813596	984270280	/nfs/dbraw/zinc/27/02/80/984270280.db2.gz	WTFFUYJONBBUEI-GHMZBOCLSA-N	-1	0	295.343	0.423	20	30		CCEDRM
C=CCCn1cc(C(=O)O[C@H](C)C(=O)C(=O)[O-])nn1	ZINC001588817579	984276452	/nfs/dbraw/zinc/27/64/52/984276452.db2.gz	OBPNQTBEVJWDEU-SSDOTTSWSA-N	-1	0	267.241	0.053	20	30		CCEDRM
C=CCCn1cc(C(=O)Nc2cc(C(=O)[O-])nn2C)nn1	ZINC001588817961	984278395	/nfs/dbraw/zinc/27/83/95/984278395.db2.gz	YRFAEWOQHHZDLA-UHFFFAOYSA-N	-1	0	290.283	0.538	20	30		CCEDRM
C=CCN(C)C(=O)C(=O)N1CCC[C@H](CCC(=O)[O-])C1	ZINC001588822303	984288553	/nfs/dbraw/zinc/28/85/53/984288553.db2.gz	FRSFTIWQLXYNCK-LLVKDONJSA-N	-1	0	282.340	0.734	20	30		CCEDRM
C=CCN(CC=C)C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)[O-]	ZINC001588825138	984298024	/nfs/dbraw/zinc/29/80/24/984298024.db2.gz	BIHKWFNGCZKPEU-UWVGGRQHSA-N	-1	0	283.328	0.348	20	30		CCEDRM
C=CCN1CC[C@@H](N(C)[C@H](C(=O)[O-])c2cccnc2)C1=O	ZINC001588838405	984337324	/nfs/dbraw/zinc/33/73/24/984337324.db2.gz	DKBWMRGSMZUGKT-OLZOCXBDSA-N	-1	0	289.335	0.926	20	30		CCEDRM
C=CCNC(=O)C[N@H+]1[C@H](C)C[C@@H](C(=O)[O-])C[C@@H]1C	ZINC001588838723	984339864	/nfs/dbraw/zinc/33/98/64/984339864.db2.gz	IEGBVGPTVFFPJB-JGPRNRPPSA-N	-1	0	254.330	0.862	20	30		CCEDRM
C=CCN1CC[C@H](N(C)c2ncc(C(=O)[O-])cn2)C1=O	ZINC001588838976	984343459	/nfs/dbraw/zinc/34/34/59/984343459.db2.gz	MLYRVBZSXMCMCK-JTQLQIEISA-N	-1	0	276.296	0.398	20	30		CCEDRM
C=CCNC(=O)[C@@H](C#N)C(=O)[C@H]1C[C@@H](C(=O)[O-])C1	ZINC001588839216	984345412	/nfs/dbraw/zinc/34/54/12/984345412.db2.gz	OXWWHZOSVABOGM-YIZRAAEISA-N	-1	0	250.254	0.108	20	30		CCEDRM
C=CCN1CC[C@H](OC(=O)c2cc(C(=O)[O-])co2)C1=O	ZINC001588839221	984345465	/nfs/dbraw/zinc/34/54/65/984345465.db2.gz	OYVRTVBGVNYTKG-VIFPVBQESA-N	-1	0	279.248	0.922	20	30		CCEDRM
C=CCN1CC[C@H](N2C[C@@H](F)C[C@H]2C(=O)[O-])C1=O	ZINC001588839734	984349390	/nfs/dbraw/zinc/34/93/90/984349390.db2.gz	VUPQQEMEWVEAMD-GUBZILKMSA-N	-1	0	256.277	0.270	20	30		CCEDRM
C=CCNC(=O)Cc1noc(-c2cccc(C(=O)[O-])n2)n1	ZINC001588844631	984359251	/nfs/dbraw/zinc/35/92/51/984359251.db2.gz	NGPGWHJRQOWBNR-UHFFFAOYSA-N	-1	0	288.263	0.675	20	30		CCEDRM
C=CCNc1nc(C(=O)O[C@H](C)C(=O)C(=O)[O-])cs1	ZINC001588849467	984371333	/nfs/dbraw/zinc/37/13/33/984371333.db2.gz	SKECHHMMEYKOII-ZCFIWIBFSA-N	-1	0	284.293	0.940	20	30		CCEDRM
C=CCO[C@H]1CCN(c2ncnc(C(=O)[O-])c2OC)C1	ZINC001588849776	984375488	/nfs/dbraw/zinc/37/54/88/984375488.db2.gz	JFGWAQFSCHGONU-VIFPVBQESA-N	-1	0	279.296	0.965	20	30		CCEDRM
C=CCOCC(=O)O[C@@H]1CCCN(CCC(=O)[O-])C1=O	ZINC001588851195	984383926	/nfs/dbraw/zinc/38/39/26/984383926.db2.gz	YHSYMQZBGQMOTF-SNVBAGLBSA-N	-1	0	285.296	0.198	20	30		CCEDRM
C=CCOCC(=O)NC[C@@H](Cc1ccncc1)C(=O)[O-]	ZINC001588851203	984383888	/nfs/dbraw/zinc/38/38/88/984383888.db2.gz	YWEVIXMTAOSLSO-GFCCVEGCSA-N	-1	0	278.308	0.644	20	30		CCEDRM
C=CCOC[C@@H](NC(=O)[C@H](CC(=C)C)NC(C)=O)C(=O)[O-]	ZINC001588855578	984393728	/nfs/dbraw/zinc/39/37/28/984393728.db2.gz	LVXNYJSIZSDRAN-NWDGAFQWSA-N	-1	0	298.339	0.229	20	30		CCEDRM
C=CCOC[C@H](NC(=O)c1snnc1CC)C(=O)[O-]	ZINC001588860222	984411779	/nfs/dbraw/zinc/41/17/79/984411779.db2.gz	MPBWKGOZUDWWBT-QMMMGPOBSA-N	-1	0	285.325	0.486	20	30		CCEDRM
C=CCOC[C@H](NC(=O)c1cnc2cccnn21)C(=O)[O-]	ZINC001588860484	984413141	/nfs/dbraw/zinc/41/31/41/984413141.db2.gz	VZEDFJKQWRZAFA-VIFPVBQESA-N	-1	0	290.279	0.115	20	30		CCEDRM
C=CCONC(=O)N1CC[C@H](n2cc(C(=O)[O-])nn2)C1	ZINC001588868590	984433801	/nfs/dbraw/zinc/43/38/01/984433801.db2.gz	LXLZLKRNCCDYML-QMMMGPOBSA-N	-1	0	281.272	0.050	20	30		CCEDRM
C=CCS(=O)(=O)CCNC(=O)CCCCC(=O)[O-]	ZINC001588878827	984455658	/nfs/dbraw/zinc/45/56/58/984455658.db2.gz	KRLNYGSWTVRHTG-UHFFFAOYSA-N	-1	0	277.342	0.348	20	30		CCEDRM
C=CCn1c([C@H]2CC=NO2)nnc1N1CC[C@H](C(=O)[O-])C1	ZINC001588896099	984499127	/nfs/dbraw/zinc/49/91/27/984499127.db2.gz	GFKCSNXSUMDZSB-VHSXEESVSA-N	-1	0	291.311	0.822	20	30		CCEDRM
C=C[C@@H]1OCC[C@H]1C(=O)N1CC[C@H](OC)C[C@@H]1C(=O)[O-]	ZINC001588917313	984566215	/nfs/dbraw/zinc/56/62/15/984566215.db2.gz	WBCFJKWHJZJGMO-QCNOEVLYSA-N	-1	0	283.324	0.668	20	30		CCEDRM
C=C[C@@H]1OCC[C@H]1NC(=O)[C@H]1CC[C@@H](C(=O)[O-])O1	ZINC001588919655	984573560	/nfs/dbraw/zinc/57/35/60/984573560.db2.gz	HAOHAKSYFHWHRU-RGOKHQFPSA-N	-1	0	255.270	0.078	20	30		CCEDRM
CC#CC[C@H](CO)NC(=O)Nc1nn(C)cc1C(=O)[O-]	ZINC001588926474	984594474	/nfs/dbraw/zinc/59/44/74/984594474.db2.gz	ZMZSKKLBJWZFEZ-MRVPVSSYSA-N	-1	0	280.284	0.014	20	30		CCEDRM
CC#CCCCC(=O)O[C@H]1C[C@@H](C(=O)[O-])N(C)C1	ZINC001588926880	984594508	/nfs/dbraw/zinc/59/45/08/984594508.db2.gz	BDQRVUYRRBZDMG-QWRGUYRKSA-N	-1	0	253.298	0.881	20	30		CCEDRM
CC#CCNC(=O)C(=O)Nc1ccc(F)cc1C(=O)[O-]	ZINC001588932429	984608304	/nfs/dbraw/zinc/60/83/04/984608304.db2.gz	VCRLVGJGGOILGL-UHFFFAOYSA-N	-1	0	278.239	0.602	20	30		CCEDRM
C[C@H](NC(=O)[C@H](C)Nc1ccc(C#N)cc1)C(=O)[O-]	ZINC001599900406	984811080	/nfs/dbraw/zinc/81/10/80/984811080.db2.gz	PDKBFCUKXNMSHS-IUCAKERBSA-N	-1	0	261.281	0.948	20	30		CCEDRM
C/C(=C/COC(=O)[C@H](C)n1cnc(C#N)n1)C(=O)[O-]	ZINC001588987463	984903619	/nfs/dbraw/zinc/90/36/19/984903619.db2.gz	UKDWWYNSLHHPEH-PFPYCLJUSA-N	-1	0	264.241	0.285	20	30		CCEDRM
CCOC(=O)c1cnn(CC2(C(=O)[O-])CC2)c1C#N	ZINC001596743760	985057566	/nfs/dbraw/zinc/05/75/66/985057566.db2.gz	KBRHCHLYFDAMIK-UHFFFAOYSA-N	-1	0	263.253	0.796	20	30		CCEDRM
Cc1[nH]c(C#N)cc1C(=O)Nc1c[nH]nc1C(=O)[O-]	ZINC001599942539	985472089	/nfs/dbraw/zinc/47/20/89/985472089.db2.gz	OFSGBFLOWPDHKC-UHFFFAOYSA-N	-1	0	259.225	0.868	20	30		CCEDRM
Cc1[nH]c(C(=O)[O-])cc1C(=O)Cn1cccc(C#N)c1=O	ZINC001599962208	985807936	/nfs/dbraw/zinc/80/79/36/985807936.db2.gz	ZVYXZFSQDIAIKT-UHFFFAOYSA-N	-1	0	285.259	0.938	20	30		CCEDRM
Cc1c(C#N)cccc1C(=O)N1CCC[C@@H](O)[C@H]1C(=O)[O-]	ZINC001599973458	986048994	/nfs/dbraw/zinc/04/89/94/986048994.db2.gz	UPADQEKMWMAKEH-OLZOCXBDSA-N	-1	0	288.303	0.917	20	30		CCEDRM
C[C@H](C#N)C(=O)N[C@H]1CCOC2(CC(C(=O)[O-])C2)C1	ZINC001589328393	986156783	/nfs/dbraw/zinc/15/67/83/986156783.db2.gz	AVOFTNRXSATGSY-PSHCNPEKSA-N	-1	0	266.297	0.675	20	30		CCEDRM
C[C@@H](C#N)CNC(=O)NC[C@@H](CC(=O)[O-])C1CC1	ZINC001589330752	986178518	/nfs/dbraw/zinc/17/85/18/986178518.db2.gz	PGAMLHIRTJNTQE-WCBMZHEXSA-N	-1	0	253.302	0.946	20	30		CCEDRM
C[C@@H](C#N)CNS(=O)(=O)c1cccc(F)c1C(=O)[O-]	ZINC001589331018	986181532	/nfs/dbraw/zinc/18/15/32/986181532.db2.gz	YKVDMWWDGHQUGQ-ZETCQYMHSA-N	-1	0	286.284	0.962	20	30		CCEDRM
C[C@H](C#N)CNC(=O)Nc1cc(C(=O)[O-])n(C)n1	ZINC001589330990	986181654	/nfs/dbraw/zinc/18/16/54/986181654.db2.gz	XZNUIHYNZBYSJR-ZCFIWIBFSA-N	-1	0	251.246	0.399	20	30		CCEDRM
C[C@H](C#N)N(C)S(=O)(=O)c1cc(C(=O)[O-])cs1	ZINC001589331770	986191179	/nfs/dbraw/zinc/19/11/79/986191179.db2.gz	NZJPSEHFWNHRFV-ZCFIWIBFSA-N	-1	0	274.323	0.979	20	30		CCEDRM
C[C@@H](C#N)OCCOC(=O)Cn1cc(C(=O)[O-])cn1	ZINC001589331975	986194505	/nfs/dbraw/zinc/19/45/05/986194505.db2.gz	UYORVSAEXPHAAO-QMMMGPOBSA-N	-1	0	267.241	0.053	20	30		CCEDRM
Cc1c(C(=O)[O-])cc(C=NN[C@H]2CCS(=O)(=O)C2)n1C	ZINC001599984125	986207412	/nfs/dbraw/zinc/20/74/12/986207412.db2.gz	BFAQZEISIHTJMB-VIFPVBQESA-N	-1	0	299.352	0.142	20	30		CCEDRM
C[C@@H](C(=O)NC1(CC(=O)[O-])CCCC1)n1cnc(C#N)n1	ZINC001589390909	986507013	/nfs/dbraw/zinc/50/70/13/986507013.db2.gz	JQFADTNNLVWUIJ-VIFPVBQESA-N	-1	0	291.311	0.614	20	30		CCEDRM
C[C@@H](C(=O)NCC(=O)[O-])N1CCC[C@H](CC#N)C1	ZINC001589396655	986524480	/nfs/dbraw/zinc/52/44/80/986524480.db2.gz	IYGRSLFYEFUVIH-VHSXEESVSA-N	-1	0	253.302	0.201	20	30		CCEDRM
CCOc1cnc(C(=O)N(CC#N)CCC(=O)[O-])cn1	ZINC001597186002	987053996	/nfs/dbraw/zinc/05/39/96/987053996.db2.gz	LFEBFEBXZMWFHT-UHFFFAOYSA-N	-1	0	278.268	0.316	20	30		CCEDRM
CC[C@@H](C#N)N(CC)C(=O)c1cc(C(=O)[O-])nn1C	ZINC001594725098	987226682	/nfs/dbraw/zinc/22/66/82/987226682.db2.gz	LCHCPYDHLRMVJR-QMMMGPOBSA-N	-1	0	264.285	0.883	20	30		CCEDRM
CC(C)(C#N)CC(=O)N1CCO[C@H](CC(=O)[O-])C1	ZINC001589553673	987292173	/nfs/dbraw/zinc/29/21/73/987292173.db2.gz	GBDVEVFSXFAQMU-SECBINFHSA-N	-1	0	254.286	0.628	20	30		CCEDRM
CC(C)(C#N)CS(=O)(=O)NC1(CC(=O)[O-])CC1	ZINC001589557943	987307515	/nfs/dbraw/zinc/30/75/15/987307515.db2.gz	JEYBDYCZAXPMLL-UHFFFAOYSA-N	-1	0	260.315	0.463	20	30		CCEDRM
CC(C)(C(=O)[O-])[C@H]1CCCN(C(=O)NCC#CCO)C1	ZINC001589609834	987455684	/nfs/dbraw/zinc/45/56/84/987455684.db2.gz	LEKOMXVLMDWBLB-NSHDSACASA-N	-1	0	282.340	0.515	20	30		CCEDRM
C[C@@H]1CN(C(=O)NCC2(C#N)CCCC2)C[C@@H](C(=O)[O-])O1	ZINC001599857032	989105453	/nfs/dbraw/zinc/10/54/53/989105453.db2.gz	ZOWLFVHXGFFOIA-MNOVXSKESA-N	-1	0	295.339	0.954	20	30		CCEDRM
CC(C)(CC#N)CS(=O)(=O)N[C@@H](C(=O)[O-])C1CC1	ZINC001590616642	990292744	/nfs/dbraw/zinc/29/27/44/990292744.db2.gz	IKXWYMKGZYHWQA-SECBINFHSA-N	-1	0	274.342	0.709	20	30		CCEDRM
CN(C(=O)[C@@H]1C[C@@H]1C#N)[C@H](COC1CCC1)C(=O)[O-]	ZINC001598066947	990355405	/nfs/dbraw/zinc/35/54/05/990355405.db2.gz	NZHPHSIKPOLECW-FBIMIBRVSA-N	-1	0	266.297	0.627	20	30		CCEDRM
CC(C)(CS(=O)(=O)N[C@@H]1CC[C@H](C#N)C1)C(=O)[O-]	ZINC001590820338	990655175	/nfs/dbraw/zinc/65/51/75/990655175.db2.gz	SUXUSWMFXMWVQJ-DTWKUNHWSA-N	-1	0	274.342	0.709	20	30		CCEDRM
CN(C)c1ccc(C(=O)N(CC#N)CCC(=O)[O-])cn1	ZINC001598308095	991279834	/nfs/dbraw/zinc/27/98/34/991279834.db2.gz	XNEUJBRWYSDJDF-UHFFFAOYSA-N	-1	0	276.296	0.588	20	30		CCEDRM
COc1cnc(F)c(C(=O)N(CC#N)CCC(=O)[O-])c1	ZINC001599725036	991605190	/nfs/dbraw/zinc/60/51/90/991605190.db2.gz	SKKFAFPYAQOJKD-UHFFFAOYSA-N	-1	0	281.243	0.670	20	30		CCEDRM
CN(CCC#N)[C@H]1CCCN(CCC(=O)[O-])C1=O	ZINC001598468583	991989309	/nfs/dbraw/zinc/98/93/09/991989309.db2.gz	HWKMYAUTZXOBDE-JTQLQIEISA-N	-1	0	253.302	0.298	20	30		CCEDRM
CSC1([C@@H](C#N)N(C)C(=O)[C@H]2CC[C@@H](C(=O)[O-])O2)CC1	ZINC001599783122	992391119	/nfs/dbraw/zinc/39/11/19/992391119.db2.gz	DMFFHVNOWVBHEH-KXUCPTDWSA-N	-1	0	298.364	0.865	20	30		CCEDRM
CN(Cc1ccc(C#N)cc1)Cn1cnc(C(=O)[O-])n1	ZINC001598509245	992548341	/nfs/dbraw/zinc/54/83/41/992548341.db2.gz	LCADVNPJKZTKMG-UHFFFAOYSA-N	-1	0	271.280	0.937	20	30		CCEDRM
CN(Cc1cn(C)nn1)c1ccc(C(=O)[O-])nc1C#N	ZINC001598533535	992818350	/nfs/dbraw/zinc/81/83/50/992818350.db2.gz	QCFGFWDHFXENSZ-UHFFFAOYSA-N	-1	0	272.268	0.416	20	30		CCEDRM
CNC(=O)[C@@H](C#N)C(=O)Cc1ccc(C(=O)[O-])cc1	ZINC001598631157	994174442	/nfs/dbraw/zinc/17/44/42/994174442.db2.gz	ZTQQHGNETBJLSF-JTQLQIEISA-N	-1	0	260.249	0.382	20	30		CCEDRM
C[C@H](NCC(=O)NCCC#N)c1ncc(C(=O)[O-])s1	ZINC001593230745	994365882	/nfs/dbraw/zinc/36/58/82/994365882.db2.gz	LCZJAMZZAUZCDY-ZETCQYMHSA-N	-1	0	282.325	0.522	20	30		CCEDRM
COc1cccc(NC(=O)CN(CC#N)CCC(=O)[O-])c1	ZINC001599679078	994948467	/nfs/dbraw/zinc/94/84/67/994948467.db2.gz	RUWYLJFTEQUNSN-UHFFFAOYSA-N	-1	0	291.307	0.934	20	30		CCEDRM
COC(=O)[C@@H](C)CN(C)c1ccc(C(=O)[O-])nc1C#N	ZINC001598689318	995039489	/nfs/dbraw/zinc/03/94/89/995039489.db2.gz	MBKPDXDOKHWTFU-QMMMGPOBSA-N	-1	0	277.280	0.897	20	30		CCEDRM
C[C@@](O)(CNc1c(C#N)cccc1[N+](=O)[O-])C(=O)[O-]	ZINC001593417283	995204681	/nfs/dbraw/zinc/20/46/81/995204681.db2.gz	QUUBQUTUSMLBHR-LLVKDONJSA-N	-1	0	265.225	0.714	20	30		CCEDRM
COC(=O)C1(NC(=O)CCCC#N)CCC(C(=O)[O-])CC1	ZINC001598721937	995489941	/nfs/dbraw/zinc/48/99/41/995489941.db2.gz	IHUFVDGISXMYSK-UHFFFAOYSA-N	-1	0	296.323	0.983	20	30		CCEDRM
C[C@@]1(C#N)CCCN(Cn2nc(C(=O)[O-])ccc2=O)C1	ZINC001593742705	996361995	/nfs/dbraw/zinc/36/19/95/996361995.db2.gz	DJIQFLJNNLHASG-ZDUSSCGKSA-N	-1	0	276.296	0.525	20	30		CCEDRM
C[C@]1(C#N)CCCN([C@@H]2CCN(CCC(=O)[O-])C2=O)C1	ZINC001593743080	996365023	/nfs/dbraw/zinc/36/50/23/996365023.db2.gz	OWEMPKHATADZIJ-BXUZGUMPSA-N	-1	0	279.340	0.688	20	30		CCEDRM
C[C@@]1(C#N)CN(C(=O)C23CC(C(=O)[O-])(C2)C3)CCO1	ZINC001593743324	996367217	/nfs/dbraw/zinc/36/72/17/996367217.db2.gz	NGBPLRDCGQCOPP-PNESKVBLSA-N	-1	0	264.281	0.382	20	30		CCEDRM
C[C@@]1(C#N)CN(C(=O)CCSCC(=O)[O-])CCO1	ZINC001593743348	996367472	/nfs/dbraw/zinc/36/74/72/996367472.db2.gz	ORFSFJKORFMJGN-LLVKDONJSA-N	-1	0	272.326	0.335	20	30		CCEDRM
COC(=O)[C@@H]1CN(c2nc(C#N)ccc2C)C[C@H]1C(=O)[O-]	ZINC001598826157	996385168	/nfs/dbraw/zinc/38/51/68/996385168.db2.gz	GPHFJDGOLPYNKS-GHMZBOCLSA-N	-1	0	289.291	0.572	20	30		CCEDRM
CC1(C)C[C@@]1(C#N)NC(=O)[C@H]1CC[C@@H](C(=O)[O-])O1	ZINC001593863594	996663744	/nfs/dbraw/zinc/66/37/44/996663744.db2.gz	KOEVUDNKRSCXGF-LWINAJNOSA-N	-1	0	252.270	0.427	20	30		CCEDRM
COC(=O)CN(CC#N)C(=O)c1oc(C(=O)[O-])cc1C	ZINC001598860738	996672456	/nfs/dbraw/zinc/67/24/56/996672456.db2.gz	GEKHTPLPIVYUGK-UHFFFAOYSA-N	-1	0	280.236	0.425	20	30		CCEDRM
CO[C@H]1CCN(C(=O)C#CC(C)C)[C@@H](C(=O)[O-])C1	ZINC001599117009	997671492	/nfs/dbraw/zinc/67/14/92/997671492.db2.gz	ULBFDVAABCFHEP-WDEREUQCSA-N	-1	0	253.298	0.736	20	30		CCEDRM
COCCN(CC#N)C(=O)[C@H]1CCC[C@H](C(=O)[O-])C1	ZINC001599230853	997850516	/nfs/dbraw/zinc/85/05/16/997850516.db2.gz	DCOOESPJUQQYNP-QWRGUYRKSA-N	-1	0	268.313	0.876	20	30		CCEDRM
COCCN(CC#N)C(=O)[C@H]1CCCC[C@H]1C(=O)[O-]	ZINC001599230830	997850836	/nfs/dbraw/zinc/85/08/36/997850836.db2.gz	CLOSYLPEWYCYDV-WDEREUQCSA-N	-1	0	268.313	0.876	20	30		CCEDRM
CO[C@@H]1CN(C(=O)[C@H](C)CC#N)[C@](C)(C(=O)[O-])C1	ZINC001599129489	997915165	/nfs/dbraw/zinc/91/51/65/997915165.db2.gz	FGVNKYXCLDBGCT-PTRXPTGYSA-N	-1	0	254.286	0.627	20	30		CCEDRM
CO[C@@H]1CN(C(=O)c2cc(C#N)[nH]c2C)[C@@](C)(C(=O)[O-])C1	ZINC001599129923	997922798	/nfs/dbraw/zinc/92/27/98/997922798.db2.gz	JWEZWHQGVCJDBJ-IINYFYTJSA-N	-1	0	291.307	0.899	20	30		CCEDRM
COc1cc(C(=O)NC[C@H](F)C(=O)[O-])ccc1C#N	ZINC001599353572	998139129	/nfs/dbraw/zinc/13/91/29/998139129.db2.gz	DUUBYVGCOJEDGK-VIFPVBQESA-N	-1	0	266.228	0.719	20	30		CCEDRM
COC[C@@](C)(CC(=O)[O-])NC(=O)c1cc(C#N)[nH]c1C	ZINC001599148082	998246670	/nfs/dbraw/zinc/24/66/70/998246670.db2.gz	XYYBBWYFLUXABR-CYBMUJFWSA-N	-1	0	279.296	0.804	20	30		CCEDRM
COC[C@](C)(CC(=O)[O-])NC(=O)c1cc(C#N)[nH]c1C	ZINC001599148084	998246939	/nfs/dbraw/zinc/24/69/39/998246939.db2.gz	XYYBBWYFLUXABR-ZDUSSCGKSA-N	-1	0	279.296	0.804	20	30		CCEDRM
COCC(COC)N[C@H](C(=O)[O-])c1cccc(C#N)c1	ZINC001599166563	998551379	/nfs/dbraw/zinc/55/13/79/998551379.db2.gz	OVZSZZYPKSQHTB-ZDUSSCGKSA-N	-1	0	278.308	0.935	20	30		CCEDRM
COC(=O)c1ccc(/C=C/C(=O)N(CC#N)CC(=O)[O-])o1	ZINC001598973998	998569269	/nfs/dbraw/zinc/56/92/69/998569269.db2.gz	NPGYFRCWSKRENK-HWKANZROSA-N	-1	0	292.247	0.516	20	30		CCEDRM
C=CCN(C(=O)Cc1n[n-]c(=NC)s1)[C@H](C)COC	ZINC000617582927	365687652	/nfs/dbraw/zinc/68/76/52/365687652.db2.gz	YHNDOTCVQQQNRS-SECBINFHSA-N	-1	0	284.385	0.594	20	30		CCEDRM
C[C@H](C#N)CN(C)S(=O)(=O)N(C)[C@H]1C[C@@H](C(=O)[O-])C1	ZINC000600657935	362027220	/nfs/dbraw/zinc/02/72/20/362027220.db2.gz	MRLUAYSRIOOVFK-BBBLOLIVSA-N	-1	0	289.357	0.118	20	30		CCEDRM
C=C(C)C[C@H](NC(=O)CCn1cc([N+](=O)[O-])cn1)C(=O)[O-]	ZINC000600872134	362083794	/nfs/dbraw/zinc/08/37/94/362083794.db2.gz	HXLCOYCPJQMJNZ-JTQLQIEISA-N	-1	0	296.283	0.717	20	30		CCEDRM
CCN(C(=O)Cn1cc(C#N)c(=O)[n-]c1=O)C1CCCC1	ZINC000602070784	362472398	/nfs/dbraw/zinc/47/23/98/362472398.db2.gz	GNKSWHLQLFXUIX-UHFFFAOYSA-N	-1	0	290.323	0.612	20	30		CCEDRM
C=CCC[C@@H](NC(=O)COC[C@@H]1CCCO1)C(=O)[O-]	ZINC000573671920	334956325	/nfs/dbraw/zinc/95/63/25/334956325.db2.gz	PTCWCFONHISRDC-WDEREUQCSA-N	-1	0	271.313	0.718	20	30		CCEDRM
C[C@@H]1C[C@H](C)CN1C(=O)CCn1cc(C#N)c(=O)[n-]c1=O	ZINC000602113083	362496501	/nfs/dbraw/zinc/49/65/01/362496501.db2.gz	UCDHDHYUPDYXQJ-VHSXEESVSA-N	-1	0	290.323	0.468	20	30		CCEDRM
C[C@@H]1C[C@@H](C)N(C(=O)CCn2cc(C#N)c(=O)[n-]c2=O)C1	ZINC000602113081	362496823	/nfs/dbraw/zinc/49/68/23/362496823.db2.gz	UCDHDHYUPDYXQJ-NXEZZACHSA-N	-1	0	290.323	0.468	20	30		CCEDRM
CC#CC[C@H](NS(=O)(=O)CCCCF)C(=O)[O-]	ZINC000287589566	264626302	/nfs/dbraw/zinc/62/63/02/264626302.db2.gz	QGUSQHBDEPGWHZ-VIFPVBQESA-N	-1	0	265.306	0.522	20	30		CCEDRM
CC1(F)CCN(C(=O)Cn2cc(C#N)c(=O)[n-]c2=O)CC1	ZINC000602194377	362551248	/nfs/dbraw/zinc/55/12/48/362551248.db2.gz	FLKQPHGGXGKDAD-UHFFFAOYSA-N	-1	0	294.286	0.171	20	30		CCEDRM
N#Cc1cn(CCC(=O)N2CC[C@H]2C2CC2)c(=O)[n-]c1=O	ZINC000602159089	362533066	/nfs/dbraw/zinc/53/30/66/362533066.db2.gz	XBEMJDSEFCOSCH-NSHDSACASA-N	-1	0	288.307	0.222	20	30		CCEDRM
N#Cc1cn(CC(=O)N2CCC23CCCC3)c(=O)[n-]c1=O	ZINC000602169890	362539389	/nfs/dbraw/zinc/53/93/89/362539389.db2.gz	BDVXYMUHQGXEHC-UHFFFAOYSA-N	-1	0	288.307	0.366	20	30		CCEDRM
CC[C@@H](C)N(CC)C(=O)CCn1cc(C#N)c(=O)[n-]c1=O	ZINC000602178201	362544504	/nfs/dbraw/zinc/54/45/04/362544504.db2.gz	LKAQCFKKZOFHCE-SNVBAGLBSA-N	-1	0	292.339	0.858	20	30		CCEDRM
Cc1ncc(S(=O)(=O)N[C@@H](C(=O)[O-])C(C)C)cc1C#N	ZINC000261789495	137019910	/nfs/dbraw/zinc/01/99/10/137019910.db2.gz	QJCKQONSBKLULD-LLVKDONJSA-N	-1	0	297.336	0.649	20	30		CCEDRM
N#Cc1ccc(S(=O)(=O)[N-]c2ccnc3ncnn32)o1	ZINC000342454602	137094972	/nfs/dbraw/zinc/09/49/72/137094972.db2.gz	UWGMTWQUICSYAG-UHFFFAOYSA-N	-1	0	290.264	0.390	20	30		CCEDRM
Cc1nc(=NC(=O)c2cccc(F)c2C#N)[n-]n1C	ZINC000344532399	137199341	/nfs/dbraw/zinc/19/93/41/137199341.db2.gz	NMTGAPCSKSOOAI-UHFFFAOYSA-N	-1	0	259.244	0.809	20	30		CCEDRM
C[C@H](Oc1ccc(C#N)cc1)C(=O)N(C)CC(=O)[O-]	ZINC000036966332	348175886	/nfs/dbraw/zinc/17/58/86/348175886.db2.gz	IMOAUMCAHFFDJP-VIFPVBQESA-N	-1	0	262.265	0.869	20	30		CCEDRM
CCN(CC(=O)[O-])S(=O)(=O)c1ccc(C#N)cc1	ZINC000038017182	348224054	/nfs/dbraw/zinc/22/40/54/348224054.db2.gz	XZPKSBRENAJIAY-UHFFFAOYSA-N	-1	0	268.294	0.653	20	30		CCEDRM
CCN(CC(=O)[O-])S(=O)(=O)c1cccc(C#N)c1	ZINC000038017198	348224402	/nfs/dbraw/zinc/22/44/02/348224402.db2.gz	DYLFJCZQLFFZSG-UHFFFAOYSA-N	-1	0	268.294	0.653	20	30		CCEDRM
C=C[C@@H]1OCC[C@H]1NC(=O)N=c1[n-]n(C)cc1C#N	ZINC000602882295	362861593	/nfs/dbraw/zinc/86/15/93/362861593.db2.gz	UNMQAZWFISZDKP-ZJUUUORDSA-N	-1	0	261.285	0.179	20	30		CCEDRM
CN(C(=O)N=c1[n-]n(C)cc1C#N)[C@H]1CC[C@H](O)CC1	ZINC000602884154	362862401	/nfs/dbraw/zinc/86/24/01/362862401.db2.gz	VISUQQUWEFMGNT-XYPYZODXSA-N	-1	0	277.328	0.481	20	30		CCEDRM
Cn1cc(C#N)c(=NC(=O)N2CCC[C@H](CC#N)C2)[n-]1	ZINC000602884738	362863187	/nfs/dbraw/zinc/86/31/87/362863187.db2.gz	CLDRQPDUDUEXAI-SNVBAGLBSA-N	-1	0	272.312	0.871	20	30		CCEDRM
CC[C@]1(O)CCCN(C(=O)N=c2[n-]n(C)cc2C#N)C1	ZINC000602885016	362863397	/nfs/dbraw/zinc/86/33/97/362863397.db2.gz	YBRVTGZAHZSWOK-ZDUSSCGKSA-N	-1	0	277.328	0.482	20	30		CCEDRM
C[C@H]1CCC[C@H](CNC(=O)N=c2[n-]n(C)cc2C#N)O1	ZINC000602885942	362865053	/nfs/dbraw/zinc/86/50/53/362865053.db2.gz	GSFWEVMOONVJRG-GXSJLCMTSA-N	-1	0	277.328	0.793	20	30		CCEDRM
C[C@H]1SCC[C@H]1NC(=O)N=c1[n-]n(C)cc1C#N	ZINC000602889676	362867316	/nfs/dbraw/zinc/86/73/16/362867316.db2.gz	ZDNUXNYHPSWCEJ-VXNVDRBHSA-N	-1	0	265.342	0.729	20	30		CCEDRM
Cn1cc(C#N)c(=NC(=O)NC2(CF)CCOCC2)[n-]1	ZINC000602879432	362859196	/nfs/dbraw/zinc/85/91/96/362859196.db2.gz	DJWHCIGKCCKINB-UHFFFAOYSA-N	-1	0	281.291	0.354	20	30		CCEDRM
C[C@@H]1[C@H](O)CCCN1C(=O)N=c1[n-]n(C)cc1C#N	ZINC000602878754	362859361	/nfs/dbraw/zinc/85/93/61/362859361.db2.gz	AAQZJMXQHBUMMH-PSASIEDQSA-N	-1	0	263.301	0.091	20	30		CCEDRM
O=C([N-]S(=O)(=O)c1cccnc1)[C@@H]1COCCO1	ZINC000048533047	348413715	/nfs/dbraw/zinc/41/37/15/348413715.db2.gz	YEKOWEYQRNLVHP-VIFPVBQESA-N	-1	0	272.282	0.142	20	30		CCEDRM
N#Cc1ccc(N2CCO[C@H](C(=O)[O-])C2)c(F)c1	ZINC000049871661	348461089	/nfs/dbraw/zinc/46/10/89/348461089.db2.gz	IYNFDRCBSIFYCY-NSHDSACASA-N	-1	0	250.229	0.987	20	30		CCEDRM
N#Cc1ccc(S(=O)(=O)N[C@@H](C(=O)[O-])C2CC2)cc1	ZINC000054504677	348558778	/nfs/dbraw/zinc/55/87/78/348558778.db2.gz	WWPBZBCEWHKORQ-LLVKDONJSA-N	-1	0	280.305	0.700	20	30		CCEDRM
COCCN(CCC#N)S(=O)(=O)c1ccccc1[O-]	ZINC000127930150	350181722	/nfs/dbraw/zinc/18/17/22/350181722.db2.gz	QRNARVXWIQLQJI-UHFFFAOYSA-N	-1	0	284.337	0.943	20	30		CCEDRM
C=CCN(C)C(=O)c1cc(C)c2c(=O)[n-]c(=O)nc-2[nH]1	ZINC000161705826	350727795	/nfs/dbraw/zinc/72/77/95/350727795.db2.gz	UNTPELRUFXGDBQ-UHFFFAOYSA-N	-1	0	274.280	0.590	20	30		CCEDRM
C=C(C)COCCNC(=O)N[C@@H](C(=O)[O-])C1CC1	ZINC000164124092	350777307	/nfs/dbraw/zinc/77/73/07/350777307.db2.gz	ODGCEBQJQXLXQH-SNVBAGLBSA-N	-1	0	256.302	0.742	20	30		CCEDRM
C=CCSCCNS(=O)(=O)c1cn(C)c(C)n1	ZINC000170734194	350855497	/nfs/dbraw/zinc/85/54/97/350855497.db2.gz	ZPIZFXGMYGBCJB-UHFFFAOYSA-N	-1	0	275.399	0.926	20	30		CCEDRM
N#Cc1ccc(S(=O)(=O)N[C@H](C(=O)[O-])C2CC2)s1	ZINC000230324496	352111925	/nfs/dbraw/zinc/11/19/25/352111925.db2.gz	VOWQVSGKYUULIJ-VIFPVBQESA-N	-1	0	286.334	0.761	20	30		CCEDRM
CN(C(=O)CCn1cc(C#N)c(=O)[n-]c1=O)c1ccccc1	ZINC000603918779	363170940	/nfs/dbraw/zinc/17/09/40/363170940.db2.gz	IBTFSQOEVVAGLL-UHFFFAOYSA-N	-1	0	298.302	0.874	20	30		CCEDRM
CC(C)[C@](C)(C#N)NC(=O)[C@H](C)Sc1n[n-]c(=N)n1C	ZINC000603496802	363140323	/nfs/dbraw/zinc/14/03/23/363140323.db2.gz	BZKRLJMXFYZAOR-UFBFGSQYSA-N	-1	0	296.400	0.763	20	30		CCEDRM
C[C@@H](CNS(=O)(=O)c1ccc(F)cc1C#N)C(=O)[O-]	ZINC000274959523	353175691	/nfs/dbraw/zinc/17/56/91/353175691.db2.gz	UWFFBQQZLPIYPX-ZETCQYMHSA-N	-1	0	286.284	0.696	20	30		CCEDRM
CC#CC[C@H](NS(=O)(=O)c1c(C)n[nH]c1C)C(=O)[O-]	ZINC000275018970	353179478	/nfs/dbraw/zinc/17/94/78/353179478.db2.gz	ONDXFABLKDCLQT-VIFPVBQESA-N	-1	0	285.325	0.171	20	30		CCEDRM
C[C@H]1[C@@H](C(=O)[O-])CCN1S(=O)(=O)c1ccc(C#N)o1	ZINC000287419904	353645193	/nfs/dbraw/zinc/64/51/93/353645193.db2.gz	FWZVLMPKUKSYTD-CBAPKCEASA-N	-1	0	284.293	0.635	20	30		CCEDRM
C[C@H](CCNS(=O)(=O)c1cncc(C#N)c1)CC(=O)[O-]	ZINC000290734766	353745914	/nfs/dbraw/zinc/74/59/14/353745914.db2.gz	WMXNDUDWBUFDBU-SECBINFHSA-N	-1	0	297.336	0.732	20	30		CCEDRM
CC(C)(CNS(=O)(=O)c1cncc(C#N)c1)CC(=O)[O-]	ZINC000290744792	353746781	/nfs/dbraw/zinc/74/67/81/353746781.db2.gz	XNMZDZFILGUEBK-UHFFFAOYSA-N	-1	0	297.336	0.732	20	30		CCEDRM
Cn1cc(C#N)c(=NC(=O)N2CCO[C@H](C(C)(C)C)C2)[n-]1	ZINC000619203987	366216297	/nfs/dbraw/zinc/21/62/97/366216297.db2.gz	NILHZLYRBFNTDS-NSHDSACASA-N	-1	0	291.355	0.992	20	30		CCEDRM
Cn1cc(C#N)c(=NC(=O)NCc2ncccc2O)[n-]1	ZINC000619320188	366235506	/nfs/dbraw/zinc/23/55/06/366235506.db2.gz	RAJYPGVSSCHOFY-UHFFFAOYSA-N	-1	0	272.268	0.136	20	30		CCEDRM
C[C@H]1CN(C(=O)N=c2[n-]n(C)cc2C#N)C[C@@H](C2CC2)O1	ZINC000619320232	366235899	/nfs/dbraw/zinc/23/58/99/366235899.db2.gz	VDYJNPLXLQKXSJ-CABZTGNLSA-N	-1	0	289.339	0.745	20	30		CCEDRM
Cn1cc(C#N)c(=NC(=O)N2CC([C@@H]3CCOC3)C2)[n-]1	ZINC000619320239	366235668	/nfs/dbraw/zinc/23/56/68/366235668.db2.gz	XQGVWXRGRUFZEB-SECBINFHSA-N	-1	0	275.312	0.214	20	30		CCEDRM
COc1cncc(S(=O)(=O)[N-]c2ccc(C#N)cn2)c1	ZINC000337313225	355299283	/nfs/dbraw/zinc/29/92/83/355299283.db2.gz	WAYPVOUKJCXTRG-UHFFFAOYSA-N	-1	0	290.304	0.580	20	30		CCEDRM
Cc1cc(C#N)ccc1C(=O)NCc1n[n-]c(=N)o1	ZINC000354838452	356510573	/nfs/dbraw/zinc/51/05/73/356510573.db2.gz	DCSKGHSDLPSEBM-UHFFFAOYSA-N	-1	0	257.253	0.592	20	30		CCEDRM
COC(=O)c1ccc(=NC(=O)N2CC[C@](F)(C#N)C2)[n-]n1	ZINC000619636292	366307748	/nfs/dbraw/zinc/30/77/48/366307748.db2.gz	IQDMWWKCCGREHM-LBPRGKRZSA-N	-1	0	293.258	0.155	20	30		CCEDRM
N#CCN1CCC(NC(=O)N=c2[n-]ncs2)CC1	ZINC000609335230	363489647	/nfs/dbraw/zinc/48/96/47/363489647.db2.gz	DIXIVZGPVSWXNQ-UHFFFAOYSA-N	-1	0	266.330	0.069	20	30		CCEDRM
Cc1ccc(C#N)cc1S(=O)(=O)[N-]c1cn(C)nn1	ZINC000359481751	356830017	/nfs/dbraw/zinc/83/00/17/356830017.db2.gz	NFGXOYSWVYDSAH-UHFFFAOYSA-N	-1	0	277.309	0.796	20	30		CCEDRM
Cn1cc(C(=O)N=c2[nH][n-]c(C3CC3)c2C#N)ccc1=O	ZINC000359726154	356879928	/nfs/dbraw/zinc/87/99/28/356879928.db2.gz	PYAGKQAYPIMZBO-UHFFFAOYSA-N	-1	0	283.291	0.532	20	30		CCEDRM
CC(C)C[C@@H](CO)NC(=O)N=c1[n-]n(C)cc1C#N	ZINC000610528045	363572390	/nfs/dbraw/zinc/57/23/90/363572390.db2.gz	IPZSICVWEGLDIO-JTQLQIEISA-N	-1	0	265.317	0.242	20	30		CCEDRM
CC(C)C[C@H](CO)NC(=O)N=c1[n-]n(C)cc1C#N	ZINC000610528046	363572791	/nfs/dbraw/zinc/57/27/91/363572791.db2.gz	IPZSICVWEGLDIO-SNVBAGLBSA-N	-1	0	265.317	0.242	20	30		CCEDRM
Cn1cc(C#N)c(=NC(=O)NCc2cccnc2)[n-]1	ZINC000610528196	363572913	/nfs/dbraw/zinc/57/29/13/363572913.db2.gz	VKHHPZYBETXQKS-UHFFFAOYSA-N	-1	0	256.269	0.430	20	30		CCEDRM
Cn1cc(C#N)c(=NC(=O)NCCNc2ccccn2)[n-]1	ZINC000610560825	363575192	/nfs/dbraw/zinc/57/51/92/363575192.db2.gz	KZYVXMTVPQELQN-UHFFFAOYSA-N	-1	0	285.311	0.342	20	30		CCEDRM
N#Cc1cncc(S(=O)(=O)[N-]C(=O)[C@@H]2CCCCO2)c1	ZINC000408482774	358109786	/nfs/dbraw/zinc/10/97/86/358109786.db2.gz	AGGJPRVIKDJLHR-NSHDSACASA-N	-1	0	295.320	0.327	20	30		CCEDRM
C[C@@H](C[C@@H]1CCOC1)NC(=O)N=c1[n-]n(C)cc1C#N	ZINC000610744168	363606923	/nfs/dbraw/zinc/60/69/23/363606923.db2.gz	CUMSXKDMBFBJSM-UWVGGRQHSA-N	-1	0	277.328	0.650	20	30		CCEDRM
C[C@@H]1CCN(S(=O)(=O)c2ccc(C#N)o2)C[C@H]1C(=O)[O-]	ZINC000573120255	358940272	/nfs/dbraw/zinc/94/02/72/358940272.db2.gz	JYGRYGHXGDJJMG-PSASIEDQSA-N	-1	0	298.320	0.883	20	30		CCEDRM
Cn1cc(C#N)c(=NC(=O)c2c3c(nn2C)CCCC3)[n-]1	ZINC000610893866	363628507	/nfs/dbraw/zinc/62/85/07/363628507.db2.gz	NVJAVRZQNPUNGC-UHFFFAOYSA-N	-1	0	284.323	0.578	20	30		CCEDRM
COCCC1(C)CN(C(=O)N=c2[n-]n(C)cc2C#N)C1	ZINC000589002817	359355264	/nfs/dbraw/zinc/35/52/64/359355264.db2.gz	XRCYRWDHOQUKEM-UHFFFAOYSA-N	-1	0	277.328	0.604	20	30		CCEDRM
Cn1cc(C#N)c(=NC(=O)NC[C@H]2CCCSC2)[n-]1	ZINC000588259692	359319960	/nfs/dbraw/zinc/31/99/60/359319960.db2.gz	GAWIABYAGAUAQQ-SECBINFHSA-N	-1	0	279.369	0.978	20	30		CCEDRM
N#Cc1c(C2CC2)[n-][nH]c1=NC(=O)[C@@H]1CCC(=O)NC1	ZINC000588770129	359335738	/nfs/dbraw/zinc/33/57/38/359335738.db2.gz	YPWBZHGGYBIUCB-MRVPVSSYSA-N	-1	0	273.296	0.045	20	30		CCEDRM
Cn1cc(C#N)c(=NC(=O)NCCc2cscn2)[n-]1	ZINC000611095462	363659197	/nfs/dbraw/zinc/65/91/97/363659197.db2.gz	GQLFPXYQBIJVMU-UHFFFAOYSA-N	-1	0	276.325	0.534	20	30		CCEDRM
COCc1nc(=NC(=O)c2cccc(C#N)n2)s[n-]1	ZINC000589487441	359386833	/nfs/dbraw/zinc/38/68/33/359386833.db2.gz	VBSHBRQAGPLOPG-UHFFFAOYSA-N	-1	0	275.293	0.625	20	30		CCEDRM
Cn1cc(C#N)c(=NC(=O)N2CC[C@@H](c3nccn3C)C2)[n-]1	ZINC000611127449	363662526	/nfs/dbraw/zinc/66/25/26/363662526.db2.gz	JLVMPSYWBIYENV-SNVBAGLBSA-N	-1	0	299.338	0.469	20	30		CCEDRM
CC#CC[C@@H](CO)N=c1[n-]c(C(=O)OCC)cs1	ZINC000591998692	359724239	/nfs/dbraw/zinc/72/42/39/359724239.db2.gz	HUMCLLQQMPODNQ-VIFPVBQESA-N	-1	0	268.338	0.928	20	30		CCEDRM
CO[C@@H](CS(=O)(=O)[N-]c1ncc(C#N)s1)C1CC1	ZINC000592382077	359829502	/nfs/dbraw/zinc/82/95/02/359829502.db2.gz	HOLCDUGDGNHSRT-VIFPVBQESA-N	-1	0	287.366	0.603	20	30		CCEDRM
Cc1c(C#N)c(=NC(=O)c2nnn(C(C)C)c2C)[n-]n1C	ZINC000592648208	359907907	/nfs/dbraw/zinc/90/79/07/359907907.db2.gz	CXLNMLCIIPQAHS-UHFFFAOYSA-N	-1	0	287.327	0.755	20	30		CCEDRM
Cc1cc(C(=O)N=c2[n-]n(C)c(C)c2C#N)n(C)n1	ZINC000592646343	359908209	/nfs/dbraw/zinc/90/82/09/359908209.db2.gz	LZRFYWSVAQYFPX-UHFFFAOYSA-N	-1	0	258.285	0.316	20	30		CCEDRM
Cc1c(C#N)c(=NC(=O)[C@@H]2CCO[C@H](C)C2)[n-]n1C	ZINC000592654997	359910374	/nfs/dbraw/zinc/91/03/74/359910374.db2.gz	UUZMXJXJFHOONI-PSASIEDQSA-N	-1	0	262.313	0.776	20	30		CCEDRM
N#CC[C@@]1(O)CCN(C(=O)c2cc([O-])cc([N+](=O)[O-])c2)C1	ZINC000592846040	359952657	/nfs/dbraw/zinc/95/26/57/359952657.db2.gz	OHCYKKUNFDKMJQ-CYBMUJFWSA-N	-1	0	291.263	0.791	20	30		CCEDRM
N#Cc1sccc1S(=O)(=O)NCC1(C(=O)[O-])CC1	ZINC000593271848	360058731	/nfs/dbraw/zinc/05/87/31/360058731.db2.gz	VSNATNPFDCLRQS-UHFFFAOYSA-N	-1	0	286.334	0.763	20	30		CCEDRM
C=CCOC[C@@H](NC(=O)NCC[C@H]1CC1(F)F)C(=O)[O-]	ZINC000621248843	366679678	/nfs/dbraw/zinc/67/96/78/366679678.db2.gz	ACUPJQNAOSAWDV-DTWKUNHWSA-N	-1	0	292.282	0.987	20	30		CCEDRM
N#Cc1sccc1S(=O)(=O)N[C@@H](CCF)C(=O)[O-]	ZINC000594572803	360332734	/nfs/dbraw/zinc/33/27/34/360332734.db2.gz	CLEKAKXPSFLBKA-LURJTMIESA-N	-1	0	292.313	0.711	20	30		CCEDRM
CO[C@@](C)(C(=O)[O-])C(=O)N1Cc2cccc(C#N)c2C1	ZINC000594749129	360376088	/nfs/dbraw/zinc/37/60/88/360376088.db2.gz	PTOZYTMJQVZXSC-CQSZACIVSA-N	-1	0	274.276	0.890	20	30		CCEDRM
C[C@@H](C#N)C[N-]S(=O)(=O)c1ncccc1[N+](=O)[O-]	ZINC000594756461	360377331	/nfs/dbraw/zinc/37/73/31/360377331.db2.gz	GSCMAVBNEPHVSJ-ZETCQYMHSA-N	-1	0	270.270	0.428	20	30		CCEDRM
C=CCCS(=O)(=O)N(CCSC)CC(=O)[O-]	ZINC000594670808	360358766	/nfs/dbraw/zinc/35/87/66/360358766.db2.gz	NAJNNDWZCGWIPX-UHFFFAOYSA-N	-1	0	267.372	0.642	20	30		CCEDRM
N#C[C@@]1(F)CCN(C(=O)NCC2(C(=O)[O-])CCC2)C1	ZINC000595261294	360464326	/nfs/dbraw/zinc/46/43/26/360464326.db2.gz	PDIAOMXLGWRCKB-LBPRGKRZSA-N	-1	0	269.276	0.888	20	30		CCEDRM
C[C@H](C#N)N(Cc1cc(=O)n2[n-]ccc2n1)C1CC1	ZINC000595712204	360626755	/nfs/dbraw/zinc/62/67/55/360626755.db2.gz	HXDRZLISXOGTNB-SECBINFHSA-N	-1	0	257.297	0.899	20	30		CCEDRM
Cc1nc(N2C[C@@H]3COC[C@]3(C(=O)[O-])C2)ccc1C#N	ZINC000595972773	360746481	/nfs/dbraw/zinc/74/64/81/360746481.db2.gz	NIHWYYWRKJCONU-BXUZGUMPSA-N	-1	0	273.292	0.799	20	30		CCEDRM
Cc1nsc(N[C@@H]2C[C@H](C(=O)[O-])C[C@@H]2O)c1C#N	ZINC000595978769	360754830	/nfs/dbraw/zinc/75/48/30/360754830.db2.gz	OIOWIDQZSQLUMP-ZQARSLAVSA-N	-1	0	267.310	0.959	20	30		CCEDRM
N#CCCCCC(=O)N=c1ccn(CC(=O)[O-])[nH]1	ZINC000595999419	360771252	/nfs/dbraw/zinc/77/12/52/360771252.db2.gz	LQWOETRKYIULNC-UHFFFAOYSA-N	-1	0	250.258	0.412	20	30		CCEDRM
N#Cc1nc(N2CCO[C@@H](C(=O)[O-])C2)sc1Cl	ZINC000595966105	360741656	/nfs/dbraw/zinc/74/16/56/360741656.db2.gz	MGVZFXDYXWVXQI-ZCFIWIBFSA-N	-1	0	273.701	0.958	20	30		CCEDRM
Cc1[n-][nH]c(=NC(=O)[C@@H]2CCc3nc[nH]c3C2)c1C#N	ZINC000598698943	361489896	/nfs/dbraw/zinc/48/98/96/361489896.db2.gz	FMPAKUFJQCZYJP-MRVPVSSYSA-N	-1	0	270.296	0.478	20	30		CCEDRM
C=CCCC[N-]S(=O)(=O)c1nn(C)cc1[N+](=O)[O-]	ZINC000599292557	361637890	/nfs/dbraw/zinc/63/78/90/361637890.db2.gz	GIOLZOXVMDNFKG-UHFFFAOYSA-N	-1	0	274.302	0.573	20	30		CCEDRM
Cc1nn(C)cc1S(=O)(=O)[N-]c1c(C#N)cnn1C	ZINC000342554220	216397720	/nfs/dbraw/zinc/39/77/20/216397720.db2.gz	GPJNUGLHHXJZEA-UHFFFAOYSA-N	-1	0	280.313	0.135	20	30		CCEDRM
N#Cc1cnc([N-]S(=O)(=O)CCC2CC2)s1	ZINC000613015449	364088511	/nfs/dbraw/zinc/08/85/11/364088511.db2.gz	VEAWLRRUHLAZJB-UHFFFAOYSA-N	-1	0	257.340	0.978	20	30		CCEDRM
Cn1cc(C#N)c(=NC(=O)N[C@H]2CCO[C@@H](C3CC3)C2)[n-]1	ZINC000613205030	364157154	/nfs/dbraw/zinc/15/71/54/364157154.db2.gz	LPFDTMKFHOMXAW-NWDGAFQWSA-N	-1	0	289.339	0.793	20	30		CCEDRM
Cn1cc(C#N)c(=NC(=O)N2CC[C@](F)(C#N)C2)[n-]1	ZINC000615538497	364996001	/nfs/dbraw/zinc/99/60/01/364996001.db2.gz	JJHWAZOGISPXIL-NSHDSACASA-N	-1	0	262.248	0.183	20	30		CCEDRM
C=CCCS(=O)(=O)N(CC(=O)[O-])Cc1ccccn1	ZINC000275358877	193010074	/nfs/dbraw/zinc/01/00/74/193010074.db2.gz	USAYEYWHVMNYRF-UHFFFAOYSA-N	-1	0	284.337	0.874	20	30		CCEDRM
CCO[N-]C(=O)C(=O)Nc1cc(C#N)ccc1OC	ZINC000276132784	193221712	/nfs/dbraw/zinc/22/17/12/193221712.db2.gz	MYURZKZEVVROBS-UHFFFAOYSA-N	-1	0	263.253	0.573	20	30		CCEDRM
C=C(C)CS(=O)(=O)N1CC(F)(F)C[C@@H]1C(=O)[O-]	ZINC000629305795	369627023	/nfs/dbraw/zinc/62/70/23/369627023.db2.gz	WZCRFGYSSCCDRG-SSDOTTSWSA-N	-1	0	269.269	0.687	20	30		CCEDRM
C=CCN(C)C(=O)C(=O)N1CC[C@@H](C(=O)[O-])[C@H](C)C1	ZINC000629771527	369771912	/nfs/dbraw/zinc/77/19/12/369771912.db2.gz	HBAHKAMAPLXAIG-NXEZZACHSA-N	-1	0	268.313	0.200	20	30		CCEDRM
C=CC[C@@H]1CCN(C(=O)C(=O)N(C)C[C@H](C)C(=O)[O-])C1	ZINC000629780659	369774058	/nfs/dbraw/zinc/77/40/58/369774058.db2.gz	SYVSXYFFGILZLT-WDEREUQCSA-N	-1	0	282.340	0.590	20	30		CCEDRM
C=C(C)C[C@H](NC(=O)CCn1ccccc1=O)C(=O)[O-]	ZINC000630323887	370047036	/nfs/dbraw/zinc/04/70/36/370047036.db2.gz	BCBDWZQZJYUYNF-NSHDSACASA-N	-1	0	278.308	0.774	20	30		CCEDRM
C=C(C)C[C@H](NC(=O)[C@H](OC)[C@H]1CCOC1)C(=O)[O-]	ZINC000630321101	370047042	/nfs/dbraw/zinc/04/70/42/370047042.db2.gz	FLDCOUQBVAZINM-GARJFASQSA-N	-1	0	271.313	0.574	20	30		CCEDRM
C=CCCOCCNC(=O)[C@H]1C[C@@H](C)[C@H](C(=O)[O-])O1	ZINC000630171979	369986330	/nfs/dbraw/zinc/98/63/30/369986330.db2.gz	YQPJMYVSWAYTBF-GMTAPVOTSA-N	-1	0	271.313	0.574	20	30		CCEDRM
C=C(C)C[C@H](NS(=O)(=O)N(CC)CC)C(=O)[O-]	ZINC000630437819	370115894	/nfs/dbraw/zinc/11/58/94/370115894.db2.gz	LOPKLFZNASCZAP-VIFPVBQESA-N	-1	0	264.347	0.582	20	30		CCEDRM
C=C(C)C[C@H](NS(=O)(=O)N(C)CC(C)C)C(=O)[O-]	ZINC000630438736	370117477	/nfs/dbraw/zinc/11/74/77/370117477.db2.gz	XVUAOLTZUGGPPD-JTQLQIEISA-N	-1	0	278.374	0.828	20	30		CCEDRM
C=CCOC[C@@H](NC(=O)NCC1CC=CC1)C(=O)[O-]	ZINC000630485235	370131403	/nfs/dbraw/zinc/13/14/03/370131403.db2.gz	BEZHDVKVEOCHQR-LLVKDONJSA-N	-1	0	268.313	0.908	20	30		CCEDRM
C=C(C)C[C@H](NS(=O)(=O)C[C@H](OC)C1CC1)C(=O)[O-]	ZINC000634654664	372126687	/nfs/dbraw/zinc/12/66/87/372126687.db2.gz	PPSOQSZTJQJBBO-QWRGUYRKSA-N	-1	0	291.369	0.750	20	30		CCEDRM
C=CCCS(=O)(=O)N1CC2(C)CC1(C(=O)[O-])C2	ZINC000656522345	412815909	/nfs/dbraw/zinc/81/59/09/412815909.db2.gz	BKWSANLNSGQSLM-UHFFFAOYSA-N	-1	0	259.327	0.831	20	30		CCEDRM
C=CCN1CC[C@H](N2CCC(c3n[n-]c(=N)o3)CC2)C1=O	ZINC000639724191	375953705	/nfs/dbraw/zinc/95/37/05/375953705.db2.gz	KAXSOFQMUILKSC-NSHDSACASA-N	-1	0	291.355	0.448	20	30		CCEDRM
C=CCOCCCNS(=O)(=O)CCCC(=O)[O-]	ZINC000656722442	412847303	/nfs/dbraw/zinc/84/73/03/412847303.db2.gz	CDRYCEUNYBTCIS-UHFFFAOYSA-N	-1	0	265.331	0.363	20	30		CCEDRM
C=CCCCN(C)C(=O)N=c1ccc(C(=O)NC)n[n-]1	ZINC000640325577	376318606	/nfs/dbraw/zinc/31/86/06/376318606.db2.gz	VVUTZWSOTQGLIB-UHFFFAOYSA-N	-1	0	277.328	0.688	20	30		CCEDRM
C=CCC[C@H](CO)NS(=O)(=O)c1ccccc1[O-]	ZINC000657006653	412873162	/nfs/dbraw/zinc/87/31/62/412873162.db2.gz	VDIBDQNBEDIWGB-SNVBAGLBSA-N	-1	0	271.338	0.998	20	30		CCEDRM
C=CCCS(=O)(=O)N1CC[C@@H](C(=O)[O-])C(F)(F)C1	ZINC000289549901	388871225	/nfs/dbraw/zinc/87/12/25/388871225.db2.gz	CYHRBQMQHXEMDD-QMMMGPOBSA-N	-1	0	283.296	0.934	20	30		CCEDRM
Cc1cc(C#N)nc(N2CCC[C@H](c3n[n-]c(=O)o3)C2)n1	ZINC000291012712	388916643	/nfs/dbraw/zinc/91/66/43/388916643.db2.gz	WLCIDQAFXMMHTI-VIFPVBQESA-N	-1	0	286.295	0.717	20	30		CCEDRM
C=CCN(CC(=O)[O-])S(=O)(=O)N(C)CCCC	ZINC000092464063	389028712	/nfs/dbraw/zinc/02/87/12/389028712.db2.gz	HJWNGHOJQXYQJC-UHFFFAOYSA-N	-1	0	264.347	0.536	20	30		CCEDRM
N#Cc1ccccc1S(=O)(=O)NC1(C(=O)[O-])CC1	ZINC000201850561	389129470	/nfs/dbraw/zinc/12/94/70/389129470.db2.gz	FZWKBWAESWPOKN-UHFFFAOYSA-N	-1	0	266.278	0.454	20	30		CCEDRM
CO[C@H](C)CS(=O)(=O)[N-]c1ccn(CCC#N)n1	ZINC000330414418	389226715	/nfs/dbraw/zinc/22/67/15/389226715.db2.gz	MVRXZNYRNUTYSO-SECBINFHSA-N	-1	0	272.330	0.573	20	30		CCEDRM
C[C@H](C(=O)[O-])N(C)S(=O)(=O)CCC(C)(C)C#N	ZINC000263543814	389300200	/nfs/dbraw/zinc/30/02/00/389300200.db2.gz	FLZYYMABJAXKLB-MRVPVSSYSA-N	-1	0	262.331	0.661	20	30		CCEDRM
C=C[C@@H](C)NC(=O)C(=O)N=c1ncn(C2CCCCC2)[n-]1	ZINC000348795108	389391920	/nfs/dbraw/zinc/39/19/20/389391920.db2.gz	BVIVEIIWLYVMCN-SNVBAGLBSA-N	-1	0	291.355	0.834	20	30		CCEDRM
CC(C)(C)c1nc(=NC(=O)NCC(=O)NCC#N)s[n-]1	ZINC000349281130	389410739	/nfs/dbraw/zinc/41/07/39/389410739.db2.gz	HWJFQUCGNFGKCJ-UHFFFAOYSA-N	-1	0	296.356	0.019	20	30		CCEDRM
C=CCn1c(SCCCC(=O)NC(N)=O)n[nH]c1=O	ZINC000348144138	389366031	/nfs/dbraw/zinc/36/60/31/389366031.db2.gz	OCSNVMLNCLPZCG-UHFFFAOYSA-N	-1	0	285.329	0.237	20	30		CCEDRM
N#Cc1cc(S(=O)(=O)NCC2(C(=O)[O-])CC2)ccc1F	ZINC000166995352	389443867	/nfs/dbraw/zinc/44/38/67/389443867.db2.gz	IZWIERJMRYLRHJ-UHFFFAOYSA-N	-1	0	298.295	0.840	20	30		CCEDRM
CC#CC[C@@H](NS(=O)(=O)N1CCCC[C@H]1C)C(=O)[O-]	ZINC000275085932	389509291	/nfs/dbraw/zinc/50/92/91/389509291.db2.gz	ZRIOZAVIJDAKBP-GHMZBOCLSA-N	-1	0	288.369	0.562	20	30		CCEDRM
C=C[C@](C)(CC)C(=O)N1CCN2C(=O)NC(=O)[C@@H]2C1	ZINC000336171286	389627019	/nfs/dbraw/zinc/62/70/19/389627019.db2.gz	ZNSJXVGFSVMFCO-TVQRCGJNSA-N	-1	0	265.313	0.351	20	30		CCEDRM
COc1cccc(S([O-])=CC(=O)NCC#N)c1	ZINC000424631862	389627308	/nfs/dbraw/zinc/62/73/08/389627308.db2.gz	SMWREOKDUPTBSS-KRWDZBQOSA-N	-1	0	252.295	0.443	20	30		CCEDRM
C=CCCn1cc(C(=O)N[C@@](C)(COC)C(=O)[O-])nn1	ZINC000425246735	389643117	/nfs/dbraw/zinc/64/31/17/389643117.db2.gz	WRABMCJRYAANIK-LBPRGKRZSA-N	-1	0	282.300	0.074	20	30		CCEDRM
C=CCCn1cc(C(=O)N[C@@H](C)CCC(=O)[O-])nn1	ZINC000425239174	389643279	/nfs/dbraw/zinc/64/32/79/389643279.db2.gz	KGJPCFSSFRRCSS-VIFPVBQESA-N	-1	0	266.301	0.837	20	30		CCEDRM
C=CCn1cc(CN=c2nc(CC)[n-]s2)nn1	ZINC000425264927	389643338	/nfs/dbraw/zinc/64/33/38/389643338.db2.gz	RTZZPHSBINTLCC-UHFFFAOYSA-N	-1	0	250.331	0.912	20	30		CCEDRM
C=C[C@@](C)(CCOC)C(=O)NCCc1nc(=O)o[n-]1	ZINC000280085926	389597868	/nfs/dbraw/zinc/59/78/68/389597868.db2.gz	LBYDXXVDRBLBCU-LBPRGKRZSA-N	-1	0	269.301	0.250	20	30		CCEDRM
N#Cc1cccnc1/C=C/c1cn(CC(=O)[O-])nn1	ZINC000352020505	389737135	/nfs/dbraw/zinc/73/71/35/389737135.db2.gz	ISKPHZISQUCQIS-ONEGZZNKSA-N	-1	0	255.237	0.800	20	30		CCEDRM
C=CCOCC(=O)N=c1cc(-c2nccn2C)[n-][nH]1	ZINC000435715377	389961820	/nfs/dbraw/zinc/96/18/20/389961820.db2.gz	AQKBLDKXAMSIJO-UHFFFAOYSA-N	-1	0	261.285	0.373	20	30		CCEDRM
C#CCCS(=O)(=O)[N-]C(=O)/C=C\c1cncc(F)c1	ZINC000492820092	390118507	/nfs/dbraw/zinc/11/85/07/390118507.db2.gz	AJSYGUCIIJUWGR-PLNGDYQASA-N	-1	0	282.296	0.703	20	30		CCEDRM
Cc1ccc(/C=C/C(=O)[N-]S(=O)(=O)CCC#N)o1	ZINC000493435807	390125624	/nfs/dbraw/zinc/12/56/24/390125624.db2.gz	URIOHIDXODEREN-AATRIKPKSA-N	-1	0	268.294	0.961	20	30		CCEDRM
N#Cc1ccc(S(=O)(=O)N2CC[C@H](C(=O)[O-])C2)c(F)c1	ZINC000536294341	390159757	/nfs/dbraw/zinc/15/97/57/390159757.db2.gz	MDTWXZBSZDAPQW-VIFPVBQESA-N	-1	0	298.295	0.793	20	30		CCEDRM
Cc1nc(C(=O)N2CCC[C@@H](c3nnn[n-]3)C2)ccc1C#N	ZINC000539324564	390203675	/nfs/dbraw/zinc/20/36/75/390203675.db2.gz	PYGXJZATAYRPQV-LLVKDONJSA-N	-1	0	297.322	0.795	20	30		CCEDRM
N#Cc1c[nH]c(C(=O)N2CCC[C@H](c3nnn[n-]3)C2)c1	ZINC000539324031	390204017	/nfs/dbraw/zinc/20/40/17/390204017.db2.gz	FNBGQRIQQFYNDV-VIFPVBQESA-N	-1	0	271.284	0.419	20	30		CCEDRM
C=CCOCC(=O)N1CCC[C@@H](c2nnn[n-]2)C1	ZINC000540424493	390220062	/nfs/dbraw/zinc/22/00/62/390220062.db2.gz	KREJJBCAWSMELC-SECBINFHSA-N	-1	0	251.290	0.108	20	30		CCEDRM
C=CCCCS(=O)(=O)N1CC([C@@H](C)C(=O)[O-])C1	ZINC000562373677	390488660	/nfs/dbraw/zinc/48/86/60/390488660.db2.gz	VHFYYWATCGYRSB-SECBINFHSA-N	-1	0	261.343	0.935	20	30		CCEDRM
C=CCCn1cc(C(=O)NC[C@@H](CC)C(=O)[O-])nn1	ZINC000649264992	390541287	/nfs/dbraw/zinc/54/12/87/390541287.db2.gz	NLXPQYDXWOVQJO-SECBINFHSA-N	-1	0	266.301	0.695	20	30		CCEDRM
C=C(C)CN(C)S(=O)(=O)c1cncc(C(=O)[O-])c1	ZINC000645986694	390559432	/nfs/dbraw/zinc/55/94/32/390559432.db2.gz	CZSTUZADEYAHDA-UHFFFAOYSA-N	-1	0	270.310	0.976	20	30		CCEDRM
C=CCOC[C@@H](NC(=O)N[C@@H](C)Cn1cccn1)C(=O)[O-]	ZINC000569771627	390716528	/nfs/dbraw/zinc/71/65/28/390716528.db2.gz	NMKPAJCVUNVAQZ-WDEREUQCSA-N	-1	0	296.327	0.227	20	30		CCEDRM
C=CCN(C(=O)C(=O)N1CC[C@@H](C)[C@H](C(=O)[O-])C1)C1CC1	ZINC000567270689	390685874	/nfs/dbraw/zinc/68/58/74/390685874.db2.gz	KDPVGWBJHJNYQC-ZYHUDNBSSA-N	-1	0	294.351	0.733	20	30		CCEDRM
CO[C@@H](CS(=O)(=O)[N-]c1cc(C)c(C#N)cn1)C1CC1	ZINC000567291204	390692076	/nfs/dbraw/zinc/69/20/76/390692076.db2.gz	UILCNSHJVLJBFH-LBPRGKRZSA-N	-1	0	295.364	0.850	20	30		CCEDRM
C=C[C@@H](O)C(=O)N(C)Cc1nc(=O)c2sccc2[n-]1	ZINC000646615676	390700499	/nfs/dbraw/zinc/70/04/99/390700499.db2.gz	BDKPBUHSJIUXHQ-MRVPVSSYSA-N	-1	0	279.321	0.902	20	30		CCEDRM
C=CCCCNC(=O)C(=O)N1CCC(C)(C(=O)[O-])CC1	ZINC000647586666	390843808	/nfs/dbraw/zinc/84/38/08/390843808.db2.gz	GKWOFCYACXUSGK-UHFFFAOYSA-N	-1	0	282.340	0.782	20	30		CCEDRM
COC(=O)[C@H](CF)[N-]S(=O)(=O)CCCCC#N	ZINC000344950607	533268861	/nfs/dbraw/zinc/26/88/61/533268861.db2.gz	DMLKMMBUOVIFMY-QMMMGPOBSA-N	-1	0	266.294	0.111	20	30		CCEDRM
CCN(CC(=O)[O-])C(=O)COc1ccc(C#N)cc1OC	ZINC000262386840	131216939	/nfs/dbraw/zinc/21/69/39/131216939.db2.gz	HZBSCEWXXBXHBP-UHFFFAOYSA-N	-1	0	292.291	0.879	20	30		CCEDRM
Cc1[n-][nH]c(=NC(=O)c2cnn(C3CC3)c2)c1C#N	ZINC000530265310	285585625	/nfs/dbraw/zinc/58/56/25/285585625.db2.gz	CQXAFDKLLSTFCY-UHFFFAOYSA-N	-1	0	256.269	0.795	20	30		CCEDRM
Cc1ccc(C#N)cc1S(=O)(=O)NC1(C(=O)[O-])CC1	ZINC000203660265	397430227	/nfs/dbraw/zinc/43/02/27/397430227.db2.gz	CSIBECLJXDTWCN-UHFFFAOYSA-N	-1	0	280.305	0.762	20	30		CCEDRM
Cc1[n-][nH]c(=NC(=O)c2ccnc3c2ncn3C)c1C#N	ZINC000357251684	144074238	/nfs/dbraw/zinc/07/42/38/144074238.db2.gz	FHIDPUWAOZQAIH-UHFFFAOYSA-N	-1	0	281.279	0.546	20	30		CCEDRM
Cc1[n-][nH]c(=NC(=O)c2ccc3n[nH]c(=O)n3c2)c1C#N	ZINC000357258413	144075414	/nfs/dbraw/zinc/07/54/14/144075414.db2.gz	NWBORHYZYAINDO-UHFFFAOYSA-N	-1	0	283.251	0.012	20	30		CCEDRM
C=C[C@H](CCC(=O)[O-])NS(=O)(=O)[C@H]1CCO[C@@H](C)C1	ZINC000650421426	397717967	/nfs/dbraw/zinc/71/79/67/397717967.db2.gz	DFPHJMQJKYGTSZ-AXFHLTTASA-N	-1	0	291.369	0.893	20	30		CCEDRM
N#CCSCC(=O)O[C@@H]1CCCN(C(=O)[O-])C1	ZINC000740310215	581663897	/nfs/dbraw/zinc/66/38/97/581663897.db2.gz	HPABHIBFYMHXRY-MRVPVSSYSA-N	-1	0	258.299	0.929	20	30		CCEDRM
CN(C)c1cc(C#N)cc(C(=O)NC2(c3nnn[n-]3)CC2)c1	ZINC000551905151	286134694	/nfs/dbraw/zinc/13/46/94/286134694.db2.gz	XJSKIKPKXOIVIQ-UHFFFAOYSA-N	-1	0	297.322	0.556	20	30		CCEDRM
C=C(C)CNC(=O)C(=O)Nc1ccn(C(C)(C)C(=O)[O-])n1	ZINC000659060269	413270068	/nfs/dbraw/zinc/27/00/68/413270068.db2.gz	XZRMTYMNKOJGGO-UHFFFAOYSA-N	-1	0	294.311	0.334	20	30		CCEDRM
C=CCOC[C@H](NC(=O)Cn1cc(C2CC2)cn1)C(=O)[O-]	ZINC000659156864	413319134	/nfs/dbraw/zinc/31/91/34/413319134.db2.gz	PADXSNOKXVTUQM-LBPRGKRZSA-N	-1	0	293.323	0.533	20	30		CCEDRM
C=CC[C@H]1CCCN(C(=O)Cn2cc(C(=O)[O-])nn2)C1	ZINC000659169519	413324598	/nfs/dbraw/zinc/32/45/98/413324598.db2.gz	DOCAZZGHUVUBDW-JTQLQIEISA-N	-1	0	278.312	0.791	20	30		CCEDRM
C=CCn1cc(C(=O)NC[C@H](CC(=O)[O-])C2CC2)nn1	ZINC000659205611	413340040	/nfs/dbraw/zinc/34/00/40/413340040.db2.gz	ATZNOXHPWONWMP-JTQLQIEISA-N	-1	0	278.312	0.695	20	30		CCEDRM
C=CCCOCC(=O)N1C[C@@H](C)O[C@@H](C(=O)[O-])C1	ZINC000652113299	411988907	/nfs/dbraw/zinc/98/89/07/411988907.db2.gz	JOIMMBPSGHPQLE-NXEZZACHSA-N	-1	0	257.286	0.280	20	30		CCEDRM
C[C@H](O)[C@H](NC(=O)Nc1ccc(C#N)cc1)C(=O)[O-]	ZINC000022170537	171367756	/nfs/dbraw/zinc/36/77/56/171367756.db2.gz	VINXXJGQAZPKGF-XVKPBYJWSA-N	-1	0	263.253	0.514	20	30		CCEDRM
C=CCCCN(C)C(=O)C(=O)NCC1(C(=O)[O-])CCC1	ZINC000659669568	413762629	/nfs/dbraw/zinc/76/26/29/413762629.db2.gz	UOWUMDGIOWEZKV-UHFFFAOYSA-N	-1	0	282.340	0.782	20	30		CCEDRM
C[C@H](NS(=O)(=O)c1cc(Cl)ccc1C#N)C(=O)[O-]	ZINC000037418976	173196483	/nfs/dbraw/zinc/19/64/83/173196483.db2.gz	NUDBDGLCYKQKIS-LURJTMIESA-N	-1	0	288.712	0.963	20	30		CCEDRM
N#CCCNS(=O)(=O)c1csc(C(=O)[O-])c1	ZINC000082486110	260186742	/nfs/dbraw/zinc/18/67/42/260186742.db2.gz	TZPRNSNNMXNUAU-UHFFFAOYSA-N	-1	0	260.296	0.638	20	30		CCEDRM
C#C[C@H](NC(=O)N=c1nc2nc(C)cc(C)n2[n-]1)C(C)C	ZINC000491191833	261366457	/nfs/dbraw/zinc/36/64/57/261366457.db2.gz	IIKATCHZXHKIIE-NSHDSACASA-N	-1	0	286.339	0.942	20	30		CCEDRM
N#CCCCS(=O)(=O)NCc1cc(C(=O)[O-])co1	ZINC000277210690	263040319	/nfs/dbraw/zinc/04/03/19/263040319.db2.gz	ZAALYOZUEAUVCT-UHFFFAOYSA-N	-1	0	272.282	0.701	20	30		CCEDRM
CC[C@H](C#N)NC(=O)C(C)(C)[N-]C(=O)C(F)(F)F	ZINC000277669979	263042870	/nfs/dbraw/zinc/04/28/70/263042870.db2.gz	OXIVHQQKYCMNBV-ZCFIWIBFSA-N	-1	0	265.235	0.862	20	30		CCEDRM
C=CC(C)(C)CNC(=O)c1cnc([O-])n(C)c1=O	ZINC000452774079	263146077	/nfs/dbraw/zinc/14/60/77/263146077.db2.gz	KBAWBGZLNJAGTR-UHFFFAOYSA-N	-1	0	251.286	0.428	20	30		CCEDRM
C=CC[C@@H](CO)CNC(=O)N=c1[n-]nc(C)s1	ZINC000340917812	263314389	/nfs/dbraw/zinc/31/43/89/263314389.db2.gz	PCMMTDZWSBBHOC-MRVPVSSYSA-N	-1	0	256.331	0.575	20	30		CCEDRM
CCSc1n[n-]c(=NC(=O)NCC(=O)N(C)C)s1	ZINC000330791225	264038787	/nfs/dbraw/zinc/03/87/87/264038787.db2.gz	BGLPDICSAUROQD-UHFFFAOYSA-N	-1	0	289.386	0.486	20	30		CCEDRM
CCCN(CC(=O)[O-])S(=O)(=O)CC1(C#N)CCC1	ZINC000417437875	264262065	/nfs/dbraw/zinc/26/20/65/264262065.db2.gz	IHPKEYZDMLKFDJ-UHFFFAOYSA-N	-1	0	274.342	0.807	20	30		CCEDRM
C=C[C@](C)(O)CC(=O)Nc1ccc(-n2nn[n-]c2=O)cc1	ZINC000355972938	266051718	/nfs/dbraw/zinc/05/17/18/266051718.db2.gz	OKNNIYQJVCYLIT-ZDUSSCGKSA-N	-1	0	289.295	0.634	20	30		CCEDRM
CC(C)(C)CC(=O)N1CC(n2cc(C#N)c(=O)[n-]c2=O)C1	ZINC000530266488	269584316	/nfs/dbraw/zinc/58/43/16/269584316.db2.gz	KDOJTORPQNSQFR-UHFFFAOYSA-N	-1	0	290.323	0.640	20	30		CCEDRM
C=C[C@@H](CO)[N-]S(=O)(=O)c1c(F)cccc1[N+](=O)[O-]	ZINC000349786088	275750247	/nfs/dbraw/zinc/75/02/47/275750247.db2.gz	WTIDHHBPRWRCTI-ZETCQYMHSA-N	-1	0	290.272	0.559	20	30		CCEDRM
Cn1cc(C#N)c(=NC(=O)[C@H]2CCc3cnn(C)c3C2)[n-]1	ZINC000408194859	294201016	/nfs/dbraw/zinc/20/10/16/294201016.db2.gz	ZRAURNHINDTOKE-VIFPVBQESA-N	-1	0	284.323	0.191	20	30		CCEDRM
N#Cc1cc(N2CC[C@@H](C(=O)[O-])C2)cc(N)c1[N+](=O)[O-]	ZINC000263508241	303185015	/nfs/dbraw/zinc/18/50/15/303185015.db2.gz	MNQJGMPYTSKGEM-SSDOTTSWSA-N	-1	0	276.252	0.960	20	30		CCEDRM
N#Cc1ccc(S(=O)(=O)N2CSC[C@H]2C(=O)[O-])o1	ZINC000287714931	303198394	/nfs/dbraw/zinc/19/83/94/303198394.db2.gz	YGALBEKDVIACBR-ZETCQYMHSA-N	-1	0	288.306	0.299	20	30		CCEDRM
C[C@@H]1CCN(S(=O)(=O)CC2(C#N)CC2)C[C@@H]1C(=O)[O-]	ZINC000581192553	327863081	/nfs/dbraw/zinc/86/30/81/327863081.db2.gz	QVNFRZNAQWBPPV-ZJUUUORDSA-N	-1	0	286.353	0.663	20	30		CCEDRM
C[C@H](CC#N)N(C)S(=O)(=O)N[C@H](C(=O)[O-])C1CCC1	ZINC000563224475	327981497	/nfs/dbraw/zinc/98/14/97/327981497.db2.gz	AUKHYRIXNFMHLH-SCZZXKLOSA-N	-1	0	289.357	0.308	20	30		CCEDRM
C=CCCOCCNS(=O)(=O)c1cn(CC)cn1	ZINC000339779273	328068325	/nfs/dbraw/zinc/06/83/25/328068325.db2.gz	LUZKKLPUGYBFQK-UHFFFAOYSA-N	-1	0	273.358	0.774	20	30		CCEDRM
COCC[C@H](NC(=O)C1(C#N)CCCC1)C(=O)[O-]	ZINC000262343281	328149567	/nfs/dbraw/zinc/14/95/67/328149567.db2.gz	XLJKMUOWQYKCMV-VIFPVBQESA-N	-1	0	254.286	0.676	20	30		CCEDRM
CCOC(=O)c1[nH]c(=O)n(-c2ccc(CC#N)cc2)c1[O-]	ZINC000278070394	328223027	/nfs/dbraw/zinc/22/30/27/328223027.db2.gz	NGLQMNAHKWYIKM-LLVKDONJSA-N	-1	0	287.275	0.741	20	30		CCEDRM
C=C(C)COCCNC(=O)N(C)C[C@@H](C)C(=O)[O-]	ZINC000164156275	328301913	/nfs/dbraw/zinc/30/19/13/328301913.db2.gz	BWKNWNUAKRDHFR-SNVBAGLBSA-N	-1	0	258.318	0.941	20	30		CCEDRM
C=CCOC[C@@H](NS(=O)(=O)c1ccsc1)C(=O)[O-]	ZINC000569336682	327030692	/nfs/dbraw/zinc/03/06/92/327030692.db2.gz	JAEHIHYGDWTIHB-SECBINFHSA-N	-1	0	291.350	0.682	20	30		CCEDRM
C=CCOC[C@H](NC(=O)N[C@H]1CC[C@@H](OC)C1)C(=O)[O-]	ZINC000584157221	327052176	/nfs/dbraw/zinc/05/21/76/327052176.db2.gz	BVCARUIERXAKOH-AXFHLTTASA-N	-1	0	286.328	0.509	20	30		CCEDRM
CCN(C[C@@H](C)C#N)S(=O)(=O)N[C@@H](C(=O)[O-])C1CC1	ZINC000569249943	327074318	/nfs/dbraw/zinc/07/43/18/327074318.db2.gz	VHNOGYHJDYEEBS-WCBMZHEXSA-N	-1	0	289.357	0.166	20	30		CCEDRM
C=C(C)CS(=O)(=O)N[C@@H](C(=O)[O-])[C@H](C)C1CC1	ZINC000569367643	327167390	/nfs/dbraw/zinc/16/73/90/327167390.db2.gz	JWOBHGCOOOLXHT-PSASIEDQSA-N	-1	0	261.343	0.981	20	30		CCEDRM
C=CCOCC(=O)N1CCC[C@H](c2n[nH]c(=O)[n-]2)C1	ZINC000574280077	327307752	/nfs/dbraw/zinc/30/77/52/327307752.db2.gz	FAVUWGDNBPMMDZ-VIFPVBQESA-N	-1	0	266.301	0.419	20	30		CCEDRM
C=C(C)[C@H]1OCC[C@@H]1CNc1ncc(C(=O)[O-])cn1	ZINC000582125172	327311062	/nfs/dbraw/zinc/31/10/62/327311062.db2.gz	IYXYRQGMBHIYRU-MWLCHTKSSA-N	-1	0	263.297	0.990	20	30		CCEDRM
Cn1[n-]nnc1=N[C@H]1CCCc2cc(C#N)ccc21	ZINC000582231511	328825625	/nfs/dbraw/zinc/82/56/25/328825625.db2.gz	DWXFYKOUJWFRFM-LBPRGKRZSA-N	-1	0	254.297	0.993	20	30		CCEDRM
C[C@@]1(C(=O)[O-])CCCN(S(=O)(=O)CCCC#N)C1	ZINC000368413100	328937866	/nfs/dbraw/zinc/93/78/66/328937866.db2.gz	UTTXCSMXSJNDLK-LLVKDONJSA-N	-1	0	274.342	0.807	20	30		CCEDRM
C=C(C)CS(=O)(=O)N1CC[C@@H](C)[C@@H](C(=O)[O-])C1	ZINC000572121722	329946391	/nfs/dbraw/zinc/94/63/91/329946391.db2.gz	NXRNFDGORBJKPR-ZJUUUORDSA-N	-1	0	261.343	0.935	20	30		CCEDRM
Cc1cc(C)n2[n-]c(=NC(=O)NCC3(C#N)CCC3)nc2n1	ZINC000572226329	329955668	/nfs/dbraw/zinc/95/56/68/329955668.db2.gz	ZVJQTCXNJJVAFH-UHFFFAOYSA-N	-1	0	299.338	0.978	20	30		CCEDRM
C=CCOC[C@H](NC(=O)[C@H]1[C@@H]2CCC[C@@H]21)C(=O)[O-]	ZINC000263186322	330048226	/nfs/dbraw/zinc/04/82/26/330048226.db2.gz	ZYHQULFYDUCLOE-ZRUFSTJUSA-N	-1	0	253.298	0.805	20	30		CCEDRM
C[C@@H]1CN(S(=O)(=O)CC2(CC#N)CC2)C[C@H]1C(=O)[O-]	ZINC000263199639	330048838	/nfs/dbraw/zinc/04/88/38/330048838.db2.gz	XATMNQBFLKGQSE-NXEZZACHSA-N	-1	0	286.353	0.663	20	30		CCEDRM
C=CCCO[C@@H](C)C(=O)N1CCOC[C@@H]1CC(=O)[O-]	ZINC000263272939	330051436	/nfs/dbraw/zinc/05/14/36/330051436.db2.gz	ILRFVUAPRBKLLW-QWRGUYRKSA-N	-1	0	271.313	0.670	20	30		CCEDRM
C=CCOc1cccnc1C(=O)NC[C@@](C)(O)C(=O)[O-]	ZINC000263446395	330056330	/nfs/dbraw/zinc/05/63/30/330056330.db2.gz	QZLNNXIYJADHOC-CYBMUJFWSA-N	-1	0	280.280	0.212	20	30		CCEDRM
C=CCCOCCNC(=O)[C@H](C)O[C@H](C)C(=O)[O-]	ZINC000421808604	330084985	/nfs/dbraw/zinc/08/49/85/330084985.db2.gz	SDVRAMWRZKIOHU-VHSXEESVSA-N	-1	0	259.302	0.574	20	30		CCEDRM
C=C[C@@H]1OCC[C@H]1CNC(=O)N=c1[n-]nc(C)s1	ZINC000580421553	330128991	/nfs/dbraw/zinc/12/89/91/330128991.db2.gz	BGZGHAWQKWIUEK-IUCAKERBSA-N	-1	0	268.342	0.981	20	30		CCEDRM
C=C[C@H]1CCCCN1C(=O)C(=O)N(C)CCC(=O)[O-]	ZINC000422911867	330160127	/nfs/dbraw/zinc/16/01/27/330160127.db2.gz	UPWKXVJHFGKXBP-JTQLQIEISA-N	-1	0	268.313	0.487	20	30		CCEDRM
C=C[C@H](C)[C@@H](NC(=O)c1noc2c1COCC2)C(=O)[O-]	ZINC000527595243	330264910	/nfs/dbraw/zinc/26/49/10/330264910.db2.gz	PIXYRKZJIKPJEF-OIBJUYFYSA-N	-1	0	280.280	0.752	20	30		CCEDRM
C=CCC1(C(=O)NC[C@@](C)(O)C(=O)[O-])CCOCC1	ZINC000424229414	330330763	/nfs/dbraw/zinc/33/07/63/330330763.db2.gz	XBZRMYSUDPDJHA-GFCCVEGCSA-N	-1	0	271.313	0.311	20	30		CCEDRM
C[C@H](CC#N)N(C)S(=O)(=O)NCCC(C)(C)C(=O)[O-]	ZINC000424390158	330349976	/nfs/dbraw/zinc/34/99/76/330349976.db2.gz	JNRSLYJXYSHGSF-SECBINFHSA-N	-1	0	291.373	0.556	20	30		CCEDRM
C=CCOC[C@H](NC(=O)NCC=C(C)C)C(=O)[O-]	ZINC000515040722	330469518	/nfs/dbraw/zinc/46/95/18/330469518.db2.gz	NSBYIFWLJMEHSZ-JTQLQIEISA-N	-1	0	256.302	0.908	20	30		CCEDRM
C#CCN(CC#N)C(=O)c1cc([N+](=O)[O-])ccc1[O-]	ZINC000490983704	332135568	/nfs/dbraw/zinc/13/55/68/332135568.db2.gz	BEDGLRAQCXPRLI-UHFFFAOYSA-N	-1	0	259.221	0.899	20	30		CCEDRM
C#C[C@H](CCC)NC(=O)N=c1[n-]nc(OC)s1	ZINC000491095680	332148771	/nfs/dbraw/zinc/14/87/71/332148771.db2.gz	MJQQKHJPHLMHOH-SSDOTTSWSA-N	-1	0	254.315	0.892	20	30		CCEDRM
C#C[C@H](NC(=O)C(=O)N=c1ncn(C(C)(C)C)[n-]1)C(C)C	ZINC000491325646	332189710	/nfs/dbraw/zinc/18/97/10/332189710.db2.gz	FNESTUMKXCMCJF-JTQLQIEISA-N	-1	0	291.355	0.168	20	30		CCEDRM
C#C[C@H]1COCCN1C(=O)N=c1[n-]nc2ccccn21	ZINC000491701914	332296279	/nfs/dbraw/zinc/29/62/79/332296279.db2.gz	XIWHRQHCYCXCDH-JTQLQIEISA-N	-1	0	271.280	0.017	20	30		CCEDRM
C#C[C@@H]1COCCN1C(=O)c1cc([N+](=O)[O-])ccc1[O-]	ZINC000491780279	332344823	/nfs/dbraw/zinc/34/48/23/332344823.db2.gz	KARANIKDQHAGOR-SECBINFHSA-N	-1	0	276.248	0.775	20	30		CCEDRM
C=CCS(=O)(=O)[N-]C(=O)/C=C\c1ccncc1	ZINC000492382776	332394983	/nfs/dbraw/zinc/39/49/83/332394983.db2.gz	ITSQZHKDNARTRS-ARJAWSKDSA-N	-1	0	252.295	0.727	20	30		CCEDRM
C#CCCS(=O)(=O)[N-]C(=O)/C=C/c1nccn1CC	ZINC000492975644	332420978	/nfs/dbraw/zinc/42/09/78/332420978.db2.gz	VUBCVCUJBSPRKQ-VOTSOKGWSA-N	-1	0	281.337	0.386	20	30		CCEDRM
C=CCOC[C@@H](NS(=O)(=O)c1ccoc1)C(=O)[O-]	ZINC000566066215	334619568	/nfs/dbraw/zinc/61/95/68/334619568.db2.gz	HHWMZZPKKOPBTG-SECBINFHSA-N	-1	0	275.282	0.214	20	30		CCEDRM
C#CCN(CC#C)S(=O)(=O)c1ccc(C(=O)[O-])cc1	ZINC000185038989	333134875	/nfs/dbraw/zinc/13/48/75/333134875.db2.gz	KGPPANVNCYPEOD-UHFFFAOYSA-N	-1	0	277.301	0.642	20	30		CCEDRM
CN=c1[n-]nc(CC(=O)N2CCC(CC#N)CC2)s1	ZINC000546157013	334016990	/nfs/dbraw/zinc/01/69/90/334016990.db2.gz	QZDJTJLWOYDYLF-UHFFFAOYSA-N	-1	0	279.369	0.696	20	30		CCEDRM
C[C@@H](CN(C)C(=O)C1(C#N)CC(C)C1)c1nnn[n-]1	ZINC000547811511	334120927	/nfs/dbraw/zinc/12/09/27/334120927.db2.gz	BLIJOWOIISMDOV-XEVUQIKYSA-N	-1	0	262.317	0.701	20	30		CCEDRM
C=CCN(CC(=O)[O-])S(=O)(=O)c1cccc(N)c1	ZINC000547906559	334129141	/nfs/dbraw/zinc/12/91/41/334129141.db2.gz	NJNZSZLZPUHLBL-UHFFFAOYSA-N	-1	0	270.310	0.530	20	30		CCEDRM
C[C@@H](CNS(=O)(=O)CC1(C#N)CCCC1)C(=O)[O-]	ZINC000548521524	334162128	/nfs/dbraw/zinc/16/21/28/334162128.db2.gz	PWTCOGYWSNFJBR-VIFPVBQESA-N	-1	0	274.342	0.710	20	30		CCEDRM
CC(C)N([C@@H](C)C(=O)[O-])S(=O)(=O)N(C)CCC#N	ZINC000548555757	334162572	/nfs/dbraw/zinc/16/25/72/334162572.db2.gz	BDDJACINPBJPED-VIFPVBQESA-N	-1	0	277.346	0.260	20	30		CCEDRM
N#CC1(C(=O)NC[C@@H](CC2CC2)C(=O)[O-])CCOCC1	ZINC000566073923	334620560	/nfs/dbraw/zinc/62/05/60/334620560.db2.gz	OURKMCCVIGGOIX-LLVKDONJSA-N	-1	0	280.324	0.924	20	30		CCEDRM
C=CCNc1ncc(C(=O)N2C[C@@H](C)[C@H](C(=O)[O-])C2)s1	ZINC000566736851	334662423	/nfs/dbraw/zinc/66/24/23/334662423.db2.gz	AUMKFSZHFRAKEK-RKDXNWHRSA-N	-1	0	295.364	0.956	20	30		CCEDRM
CCS(=O)(=O)[N-]c1ccccc1C(=O)NCC#CCO	ZINC000568917492	334846489	/nfs/dbraw/zinc/84/64/89/334846489.db2.gz	TZDGXWIYVJCMOZ-UHFFFAOYSA-N	-1	0	296.348	0.174	20	30		CCEDRM
C=CCCS(=O)(=O)N1C[C@@H](OC)C[C@@H]1CC(=O)[O-]	ZINC000576582595	335218731	/nfs/dbraw/zinc/21/87/31/335218731.db2.gz	VDQGDQUFEOHPCS-ZJUUUORDSA-N	-1	0	277.342	0.456	20	30		CCEDRM
C[C@H](CC#N)N(C)S(=O)(=O)N[C@@H](C)[C@H](C)C(=O)[O-]	ZINC000581073770	336004416	/nfs/dbraw/zinc/00/44/16/336004416.db2.gz	JAUBNOKAIYIFGF-VGMNWLOBSA-N	-1	0	277.346	0.164	20	30		CCEDRM
O=C(NCc1n[nH]c(=O)[n-]1)[C@H]1CC(=O)N(C2CCCC2)C1	ZINC000330039507	534777649	/nfs/dbraw/zinc/77/76/49/534777649.db2.gz	BWSLAIOSSOUIGL-QMMMGPOBSA-N	-1	0	293.327	0.758	20	30		CCEDRM
C=CCOCCCC(=O)N[C@@H](C(=O)[O-])C1CCOCC1	ZINC000668307588	545172377	/nfs/dbraw/zinc/17/23/77/545172377.db2.gz	ITBRHUQNNOVRJH-CYBMUJFWSA-N	-1	0	285.340	0.965	20	30		CCEDRM
C=CCN(CC(F)(F)F)C(=O)c1n[nH]c(=O)[n-]c1=O	ZINC000677948693	545378236	/nfs/dbraw/zinc/37/82/36/545378236.db2.gz	BKKWVWCPEILEGX-UHFFFAOYSA-N	-1	0	278.190	0.473	20	30		CCEDRM
C=CC[C@@H](NS(=O)(=O)c1cc(C)cnc1N)C(=O)[O-]	ZINC000681557783	545456138	/nfs/dbraw/zinc/45/61/38/545456138.db2.gz	FLYFKHDZJXCMCA-MRVPVSSYSA-N	-1	0	285.325	0.280	20	30		CCEDRM
Cc1ncc(CO)c(C=NNCCOC(C)C)c1O	ZINC000778554050	581159800	/nfs/dbraw/zinc/15/98/00/581159800.db2.gz	KFLPARFKENDBJA-UHFFFAOYSA-N	-1	0	267.329	0.936	20	30		CCEDRM
CNC(=O)C(C#N)=C([O-])c1ccc2c(c1)ncn2C	ZINC000777304179	581112428	/nfs/dbraw/zinc/11/24/28/581112428.db2.gz	MSJRXEPQFYGSJM-VIFPVBQESA-N	-1	0	256.265	0.642	20	30		CCEDRM
Cc1ncc(C(=O)[N-]S(=O)(=O)CC(C)(C)C#N)c(C)n1	ZINC000777342234	581113251	/nfs/dbraw/zinc/11/32/51/581113251.db2.gz	LZXGUBOKDBCBTH-UHFFFAOYSA-N	-1	0	296.352	0.703	20	30		CCEDRM
CCN(CC(=O)NCCNc1ncccc1C#N)C(=O)[O-]	ZINC000739392537	581128641	/nfs/dbraw/zinc/12/86/41/581128641.db2.gz	IQJVXIXPDDCEJW-UHFFFAOYSA-N	-1	0	291.311	0.481	20	30		CCEDRM
CCN(CC(=O)NCCNc1ccc(C#N)cn1)C(=O)[O-]	ZINC000739392655	581128656	/nfs/dbraw/zinc/12/86/56/581128656.db2.gz	LJNDBMRPBUCGGI-UHFFFAOYSA-N	-1	0	291.311	0.481	20	30		CCEDRM
CCN(CC(=O)OCC(=O)N[C@](C)(C#N)C(C)C)C(=O)[O-]	ZINC000739399024	581130594	/nfs/dbraw/zinc/13/05/94/581130594.db2.gz	KHFNLLFDAZCLNY-CYBMUJFWSA-N	-1	0	299.327	0.584	20	30		CCEDRM
CNC(=O)C(C#N)=C([O-])c1ccc(O[C@H]2CCOC2)cc1	ZINC000789406832	581147724	/nfs/dbraw/zinc/14/77/24/581147724.db2.gz	ZREMQEJUVDCUSV-STQMWFEESA-N	-1	0	288.303	0.923	20	30		CCEDRM
CC(C)(C)OCC(=O)[N-]S(=O)(=O)CC(C)(C)C#N	ZINC000778333886	581152931	/nfs/dbraw/zinc/15/29/31/581152931.db2.gz	GVPXLRXHTRERMO-UHFFFAOYSA-N	-1	0	276.358	0.797	20	30		CCEDRM
C#CCOc1ccccc1NC(=O)C(=O)[N-]OCCOC	ZINC000789825876	581158421	/nfs/dbraw/zinc/15/84/21/581158421.db2.gz	KGWGPHGYWWHMNT-UHFFFAOYSA-N	-1	0	292.291	0.331	20	30		CCEDRM
COCCO[N-]C(=O)C(=O)Nc1cccc(C)c1C#N	ZINC000789825347	581158424	/nfs/dbraw/zinc/15/84/24/581158424.db2.gz	FZLXYEZUAXCYSB-UHFFFAOYSA-N	-1	0	277.280	0.499	20	30		CCEDRM
Cn1nnc2cc(C(=O)N(CC#N)CC(=O)[O-])ccc21	ZINC000739062057	581162235	/nfs/dbraw/zinc/16/22/35/581162235.db2.gz	GXJOLBXUBPWIHL-UHFFFAOYSA-N	-1	0	273.252	0.019	20	30		CCEDRM
C#CCCS(=O)(=O)[N-]C(=O)[C@H]1CC1(Cl)Cl	ZINC000791110513	581207788	/nfs/dbraw/zinc/20/77/88/581207788.db2.gz	DRUQQGVJXJVUIQ-ZCFIWIBFSA-N	-1	0	270.137	0.650	20	30		CCEDRM
N#Cc1ccc(C(=O)[N-]S(=O)(=O)[C@H]2CCCOC2)cn1	ZINC000780616658	581236846	/nfs/dbraw/zinc/23/68/46/581236846.db2.gz	MBEQPPJANXTKNO-NSHDSACASA-N	-1	0	295.320	0.192	20	30		CCEDRM
C=CCCO[C@H](C)C(=O)[N-]S(=O)(=O)[C@@H]1CCCOC1	ZINC000780624355	581237395	/nfs/dbraw/zinc/23/73/95/581237395.db2.gz	NIBOHNAMVNHNHB-GHMZBOCLSA-N	-1	0	291.369	0.593	20	30		CCEDRM
C=CCOCCCC(=O)[N-]S(=O)(=O)[C@H]1CCCOC1	ZINC000780625262	581237512	/nfs/dbraw/zinc/23/75/12/581237512.db2.gz	YYEZIHOBPVSHTH-NSHDSACASA-N	-1	0	291.369	0.594	20	30		CCEDRM
Cc1c(Cl)c(C(=O)[O-])nn1CN1CCOC[C@H]1C#N	ZINC000738287097	581244099	/nfs/dbraw/zinc/24/40/99/581244099.db2.gz	ADVAMJYRJPBBGQ-MRVPVSSYSA-N	-1	0	284.703	0.725	20	30		CCEDRM
C=CCS(=O)(=O)[N-]C(=O)C(F)(F)C1CCOCC1	ZINC000791851284	581269950	/nfs/dbraw/zinc/26/99/50/581269950.db2.gz	BAGLNIYBZNFMBN-UHFFFAOYSA-N	-1	0	283.296	0.680	20	30		CCEDRM
CCOC(=O)c1cc(C=NNc2nnc(C)c(=O)[n-]2)on1	ZINC000792916688	581275893	/nfs/dbraw/zinc/27/58/93/581275893.db2.gz	ADJCIZITBSJIRI-UHFFFAOYSA-N	-1	0	292.255	0.496	20	30		CCEDRM
CC[C@H](NN=Cc1cc(C(=O)OC)ccc1O)C(=O)[O-]	ZINC000793078491	581283713	/nfs/dbraw/zinc/28/37/13/581283713.db2.gz	MVQLXCOARGJXMB-JTQLQIEISA-N	-1	0	280.280	0.966	20	30		CCEDRM
COCCNC(=O)C(C#N)=C([O-])c1ccnc(C)c1	ZINC000793125852	581285081	/nfs/dbraw/zinc/28/50/81/581285081.db2.gz	RBFZEGPOBLZWKU-NSHDSACASA-N	-1	0	261.281	0.475	20	30		CCEDRM
C=CCS(=O)(=O)[N-]C(=O)c1cccc([N+](=O)[O-])c1NC	ZINC000793176455	581286775	/nfs/dbraw/zinc/28/67/75/581286775.db2.gz	BYYUQHUWMHIERG-UHFFFAOYSA-N	-1	0	299.308	0.882	20	30		CCEDRM
C=CCS(=O)(=O)[N-]C(=O)C1(OCC)CCCC1	ZINC000793178959	581287211	/nfs/dbraw/zinc/28/72/11/581287211.db2.gz	PYWZHTJCUXZLJW-UHFFFAOYSA-N	-1	0	261.343	0.968	20	30		CCEDRM
N#CC1(CS(=O)(=O)[N-]C(=O)CCOCC(F)F)CC1	ZINC000793198560	581287444	/nfs/dbraw/zinc/28/74/44/581287444.db2.gz	ZQVSJEVUBROVQD-UHFFFAOYSA-N	-1	0	296.295	0.408	20	30		CCEDRM
C[C@H](C(=O)[N-]S(=O)(=O)CC1(C#N)CC1)C1CC1	ZINC000793195805	581287832	/nfs/dbraw/zinc/28/78/32/581287832.db2.gz	FZOWNKKAZMBWCV-QMMMGPOBSA-N	-1	0	256.327	0.782	20	30		CCEDRM
CO[C@H](C)CC(=O)[N-]S(=O)(=O)CC1(C#N)CC1	ZINC000793194964	581287848	/nfs/dbraw/zinc/28/78/48/581287848.db2.gz	BXWHWUWCJHXCLU-MRVPVSSYSA-N	-1	0	260.315	0.161	20	30		CCEDRM
C=C[C@](C)(CCOC)C(=O)OCc1n[nH]c(=O)[n-]1	ZINC000782449683	581304162	/nfs/dbraw/zinc/30/41/62/581304162.db2.gz	PUBKPTZOSYVDQB-LLVKDONJSA-N	-1	0	255.274	0.782	20	30		CCEDRM
Cc1nc(S(=O)(=O)[N-]c2cnn(CC#N)c2)cn1C	ZINC000727113162	581309007	/nfs/dbraw/zinc/30/90/07/581309007.db2.gz	PIBDVTHAYCEHAD-UHFFFAOYSA-N	-1	0	280.313	0.249	20	30		CCEDRM
C[C@@H](CO)NN=Cc1ccc(O[C@@H](C)C(=O)[O-])cc1	ZINC000794916111	581315007	/nfs/dbraw/zinc/31/50/07/581315007.db2.gz	RXURKTBYYNIIJO-UWVGGRQHSA-N	-1	0	266.297	0.843	20	30		CCEDRM
N#Cc1ccc(C(=O)NC2CCN(C(=O)[O-])CC2)nc1	ZINC000738429923	581318525	/nfs/dbraw/zinc/31/85/25/581318525.db2.gz	CVSWGNDYEXUNKC-UHFFFAOYSA-N	-1	0	274.280	0.825	20	30		CCEDRM
N#CCNC(=O)CN1CCCC[C@@H]1[C@H]1CCCN1C(=O)[O-]	ZINC000740305330	581322636	/nfs/dbraw/zinc/32/26/36/581322636.db2.gz	LUSJVLZMTYFOBI-VXGBXAGGSA-N	-1	0	294.355	0.623	20	30		CCEDRM
C#CCCNC(=O)C1=NN(c2ccccc2)[C@H](C(=O)[O-])C1	ZINC000738457217	581330812	/nfs/dbraw/zinc/33/08/12/581330812.db2.gz	KKDLEOROLFPWOI-ZDUSSCGKSA-N	-1	0	285.303	0.845	20	30		CCEDRM
C#CCSCCNC(=O)N(C)[C@H](C)CNC(=O)[O-]	ZINC000738471067	581344337	/nfs/dbraw/zinc/34/43/37/581344337.db2.gz	VWQJAVFSOAQVIL-SECBINFHSA-N	-1	0	273.358	0.650	20	30		CCEDRM
C=CCNC(=O)NC(=O)CN1CCC[C@@H](N(C)C(=O)[O-])C1	ZINC000738494306	581361570	/nfs/dbraw/zinc/36/15/70/581361570.db2.gz	ACYJWKHTXCVAPO-SNVBAGLBSA-N	-1	0	298.343	0.072	20	30		CCEDRM
N#Cc1ccc(C[C@H](C#N)C(=O)OCc2n[nH]c(=O)[n-]2)cc1	ZINC000795822581	581424041	/nfs/dbraw/zinc/42/40/41/581424041.db2.gz	DZFCUJGQXPJIRX-LLVKDONJSA-N	-1	0	297.274	0.808	20	30		CCEDRM
COCCNC(=O)C(C#N)=C([O-])c1ccnc(C#N)c1	ZINC000796634896	581446684	/nfs/dbraw/zinc/44/66/84/581446684.db2.gz	VTXCQIJGOYMHPB-NSHDSACASA-N	-1	0	272.264	0.038	20	30		CCEDRM
Cc1noc(C)c1S(=O)(=O)[N-]C(=O)c1ccc(C#N)o1	ZINC000796699306	581448543	/nfs/dbraw/zinc/44/85/43/581448543.db2.gz	KJFGSNWEYUXEPT-UHFFFAOYSA-N	-1	0	295.276	0.875	20	30		CCEDRM
COCCNC(=O)C(C#N)=C([O-])c1cncs1	ZINC000796749607	581449928	/nfs/dbraw/zinc/44/99/28/581449928.db2.gz	VXYNERIYLNXELR-ZETCQYMHSA-N	-1	0	253.283	0.228	20	30		CCEDRM
C=CCC(CC=C)C(=O)[N-]S(=O)(=O)c1cc[nH]n1	ZINC000796884644	581453787	/nfs/dbraw/zinc/45/37/87/581453787.db2.gz	UIMZFZAZNWRMGA-UHFFFAOYSA-N	-1	0	269.326	0.983	20	30		CCEDRM
N#Cc1ccc(NCCNC(=O)CCNC(=O)[O-])nc1	ZINC000739121886	581507872	/nfs/dbraw/zinc/50/78/72/581507872.db2.gz	XZCBJJUBPBKJJL-UHFFFAOYSA-N	-1	0	277.284	0.139	20	30		CCEDRM
N#Cc1ccc(OCCNC(=O)CNC(=O)[O-])cc1	ZINC000739128486	581509026	/nfs/dbraw/zinc/50/90/26/581509026.db2.gz	FSNLQFGEHNXGEF-UHFFFAOYSA-N	-1	0	263.253	0.321	20	30		CCEDRM
N#Cc1cccn(Cc2noc(CCCC(=O)[O-])n2)c1=O	ZINC000739142601	581511038	/nfs/dbraw/zinc/51/10/38/581511038.db2.gz	QCAAIHWMDOJQFI-UHFFFAOYSA-N	-1	0	288.263	0.559	20	30		CCEDRM
C[C@H]1CN(C(=O)CSCC#N)CC[C@H]1NC(=O)[O-]	ZINC000739138939	581511142	/nfs/dbraw/zinc/51/11/42/581511142.db2.gz	SDSCKRSFDUXRAU-DTWKUNHWSA-N	-1	0	271.342	0.748	20	30		CCEDRM
COCCCNC(=O)C(C#N)=C([O-])c1ccn(C(C)C)n1	ZINC000733678303	581518005	/nfs/dbraw/zinc/51/80/05/581518005.db2.gz	XBNNQIZJFGKZDA-NSHDSACASA-N	-1	0	292.339	0.939	20	30		CCEDRM
Cc1nnc2ccc(C([O-])=C(C#N)C(=O)NC(C)C)cn12	ZINC000733679426	581518054	/nfs/dbraw/zinc/51/80/54/581518054.db2.gz	HHRKXOBHWAPQFS-NSHDSACASA-N	-1	0	285.307	0.885	20	30		CCEDRM
C=CCCO[C@@H](C)C(=O)[N-]S(=O)(=O)[C@H](C)COC	ZINC000733716456	581519176	/nfs/dbraw/zinc/51/91/76/581519176.db2.gz	PNFMKVYSOAZBCV-ZJUUUORDSA-N	-1	0	279.358	0.449	20	30		CCEDRM
COC(=O)CN(CC#N)CC(=O)[N-]OCc1ccccc1	ZINC000765499318	581521317	/nfs/dbraw/zinc/52/13/17/581521317.db2.gz	HKYBMLMMFFUWDQ-UHFFFAOYSA-N	-1	0	291.307	0.233	20	30		CCEDRM
CCC[C@@](C)(NC(=O)[O-])C(=O)N1CCO[C@@H](C#N)C1	ZINC000739282845	581530933	/nfs/dbraw/zinc/53/09/33/581530933.db2.gz	DYJGBSUYWSWVRP-JOYOIKCWSA-N	-1	0	269.301	0.564	20	30		CCEDRM
COc1ccccc1CC(=O)N(CC#N)CC(=O)[O-]	ZINC000738124200	581543606	/nfs/dbraw/zinc/54/36/06/581543606.db2.gz	OEXOWFWYKPVPMC-UHFFFAOYSA-N	-1	0	262.265	0.674	20	30		CCEDRM
CCN(CC(=O)[C@@H](C#N)C(=O)N1CCCC1)C(=O)[O-]	ZINC000739384990	581544098	/nfs/dbraw/zinc/54/40/98/581544098.db2.gz	OAPPYSWXUPXDFM-SECBINFHSA-N	-1	0	267.285	0.318	20	30		CCEDRM
CCN(CCNC(=O)N(C)C[C@H](C)C#N)C(=O)[O-]	ZINC000739427439	581551399	/nfs/dbraw/zinc/55/13/99/581551399.db2.gz	ZNSDHBBTUXUEPY-SECBINFHSA-N	-1	0	256.306	0.787	20	30		CCEDRM
CC[C@H](NC(=O)[O-])C(=O)N1CCN([C@H](C#N)C(C)C)CC1	ZINC000739527440	581565650	/nfs/dbraw/zinc/56/56/50/581565650.db2.gz	YKNATDFZCLEWKI-NWDGAFQWSA-N	-1	0	296.371	0.725	20	30		CCEDRM
CN(CCN1CCN(C(=O)[O-])CC1)C[C@H](C#N)CCC#N	ZINC000739685722	581592953	/nfs/dbraw/zinc/59/29/53/581592953.db2.gz	WXUNDJHPIWZQDC-ZDUSSCGKSA-N	-1	0	293.371	0.657	20	30		CCEDRM
C#CCCS(=O)(=O)[N-]C(=O)[C@@H]1COc2ccccc2C1	ZINC000788067206	581610406	/nfs/dbraw/zinc/61/04/06/581610406.db2.gz	CZNKEXVTOODUQO-LBPRGKRZSA-N	-1	0	293.344	0.707	20	30		CCEDRM
C=CCOCC(=O)[N-]S(=O)(=O)Cc1ccc(C#N)cc1	ZINC000729885660	581618572	/nfs/dbraw/zinc/61/85/72/581618572.db2.gz	GAGRZQSUDKXRKK-UHFFFAOYSA-N	-1	0	294.332	0.707	20	30		CCEDRM
Cc1nnc([S-])n(N=Cc2cc(F)ccc2O)c1=O	ZINC000755510377	581643239	/nfs/dbraw/zinc/64/32/39/581643239.db2.gz	GHDZRQOJKJHXPQ-UHFFFAOYSA-N	-1	0	280.284	0.962	20	30		CCEDRM
CNC(=O)C(C#N)=C([O-])c1ccc2c(c1)C(C)(C)C(=O)N2	ZINC000768764371	581654627	/nfs/dbraw/zinc/65/46/27/581654627.db2.gz	COQLNHXFRHWLFZ-SECBINFHSA-N	-1	0	285.303	0.985	20	30		CCEDRM
N#C[C@H]1CN(C(=O)[C@@H](NC(=O)[O-])c2ccccc2)CCO1	ZINC000740306139	581662997	/nfs/dbraw/zinc/66/29/97/581662997.db2.gz	CYKAYVIBNQHMNR-RYUDHWBXSA-N	-1	0	289.291	0.746	20	30		CCEDRM
N#C[C@@H]1CN(C(=O)N[C@@H]2CCCCN(C(=O)[O-])C2)CCO1	ZINC000740306271	581663015	/nfs/dbraw/zinc/66/30/15/581663015.db2.gz	DPIOSKHSSTZMPO-GHMZBOCLSA-N	-1	0	296.327	0.453	20	30		CCEDRM
N#CCSCC(=O)O[C@H]1CCCN(C(=O)[O-])C1	ZINC000740310216	581663961	/nfs/dbraw/zinc/66/39/61/581663961.db2.gz	HPABHIBFYMHXRY-QMMMGPOBSA-N	-1	0	258.299	0.929	20	30		CCEDRM
N#CCSCC(=O)NC[C@H]1CCCN1C(=O)[O-]	ZINC000740310336	581663973	/nfs/dbraw/zinc/66/39/73/581663973.db2.gz	IJFWNKRTDRQWHY-MRVPVSSYSA-N	-1	0	257.315	0.502	20	30		CCEDRM
N#CC1(NC(=O)c2csc(CNC(=O)[O-])n2)CC1	ZINC000740309465	581663985	/nfs/dbraw/zinc/66/39/85/581663985.db2.gz	IFIVBDBGNOFRLI-UHFFFAOYSA-N	-1	0	266.282	0.697	20	30		CCEDRM
N#CCCN(CCC#N)C(=O)[C@@H]1CCN(C(=O)[O-])C1	ZINC000740309199	581663989	/nfs/dbraw/zinc/66/39/89/581663989.db2.gz	XKZCKXYFPJAUNV-SNVBAGLBSA-N	-1	0	264.285	0.642	20	30		CCEDRM
N#Cc1ccc(C(=O)NC[C@@H]2CCCN2C(=O)[O-])cn1	ZINC000740312333	581664361	/nfs/dbraw/zinc/66/43/61/581664361.db2.gz	DBSZVDZGBCWWNZ-NSHDSACASA-N	-1	0	274.280	0.825	20	30		CCEDRM
N#Cc1ccc(NC(=O)[C@@H]2CCN(C(=O)[O-])C2)nc1	ZINC000740314871	581664474	/nfs/dbraw/zinc/66/44/74/581664474.db2.gz	CWDFMHKOTDRJSZ-SECBINFHSA-N	-1	0	260.253	0.892	20	30		CCEDRM
CNC(=O)C(C#N)=C([O-])c1cccc(NC(=O)N(C)C)c1	ZINC000740534874	581692869	/nfs/dbraw/zinc/69/28/69/581692869.db2.gz	ISKHUIJUYBOJFZ-NSHDSACASA-N	-1	0	288.307	0.849	20	30		CCEDRM
C#CCCNC(=O)C(=O)Nc1ccc(F)c(C(=O)[O-])c1	ZINC000736076222	581694517	/nfs/dbraw/zinc/69/45/17/581694517.db2.gz	CICJPMRREBCQDY-UHFFFAOYSA-N	-1	0	278.239	0.602	20	30		CCEDRM
C#Cc1ccc(C(=O)Nc2n[nH]c(CC(=O)[O-])n2)cn1	ZINC000736092379	581701006	/nfs/dbraw/zinc/70/10/06/581701006.db2.gz	FXITXQRTONPRBD-UHFFFAOYSA-N	-1	0	271.236	0.060	20	30		CCEDRM
C#Cc1ccc(C(=O)N(CCOC)CCC(=O)[O-])nc1	ZINC000736093742	581701155	/nfs/dbraw/zinc/70/11/55/581701155.db2.gz	ZKYHBRWNBWPJAT-UHFFFAOYSA-N	-1	0	276.292	0.626	20	30		CCEDRM
C#Cc1ccc(C(=O)NC2CCN(C(=O)[O-])CC2)cn1	ZINC000736093077	581701222	/nfs/dbraw/zinc/70/12/22/581701222.db2.gz	QOMGUNBDOAXYEL-UHFFFAOYSA-N	-1	0	273.292	0.935	20	30		CCEDRM
N#Cc1ncn(CC(=O)[N-]OCc2ccc(F)cc2)n1	ZINC000757605867	581704126	/nfs/dbraw/zinc/70/41/26/581704126.db2.gz	WDCFTICPUNCRPV-UHFFFAOYSA-N	-1	0	275.243	0.537	20	30		CCEDRM
C[C@@H](OCC1CC1)C(=O)[N-]S(=O)(=O)CC1(C#N)CC1	ZINC000753946072	581713584	/nfs/dbraw/zinc/71/35/84/581713584.db2.gz	XTFNNUAONXWIOG-SECBINFHSA-N	-1	0	286.353	0.551	20	30		CCEDRM
Cc1nnc(N=NC2CCCC[C@@H]2S(C)(=O)=O)[n-]c1=O	ZINC000741458212	581754019	/nfs/dbraw/zinc/75/40/19/581754019.db2.gz	UACOJRUNIZSOJS-VIFPVBQESA-N	-1	0	299.356	0.641	20	30		CCEDRM
COCCOc1ccc(C(=O)N(CC#N)CC(=O)[O-])cc1	ZINC000737815210	581767423	/nfs/dbraw/zinc/76/74/23/581767423.db2.gz	ZRTHBDFIZJTMOE-UHFFFAOYSA-N	-1	0	292.291	0.762	20	30		CCEDRM
NC(=O)CNN=Cc1ccc(C(=O)[O-])cc1Cl	ZINC000758893030	581774212	/nfs/dbraw/zinc/77/42/12/581774212.db2.gz	RCWRHSBZXOLACC-UHFFFAOYSA-N	-1	0	255.661	0.447	20	30		CCEDRM
COC[C@H](C)CC(=O)C(C#N)=C([O-])c1nccn1C	ZINC000770871204	581775354	/nfs/dbraw/zinc/77/53/54/581775354.db2.gz	INMFLONHTOGEGT-ZJUUUORDSA-N	-1	0	263.297	0.984	20	30		CCEDRM
CCC(=O)N[C@@H](C)C(=O)C(C#N)=C([O-])c1nccn1C	ZINC000770861982	581775383	/nfs/dbraw/zinc/77/53/83/581775383.db2.gz	KZBRORQKPQWREC-DTWKUNHWSA-N	-1	0	276.296	0.226	20	30		CCEDRM
CCOC(=O)NCCC(=O)C(C#N)=C([O-])c1nccn1C	ZINC000770872246	581775547	/nfs/dbraw/zinc/77/55/47/581775547.db2.gz	YFQIDAUGVQCKMI-SECBINFHSA-N	-1	0	292.295	0.448	20	30		CCEDRM
CCc1nn(C)cc1C([O-])=C(C#N)C(=O)NC1CC1	ZINC000771260721	581797830	/nfs/dbraw/zinc/79/78/30/581797830.db2.gz	KPBCBPWBUXVJAE-VIFPVBQESA-N	-1	0	260.297	0.584	20	30		CCEDRM
N#Cc1ccsc1C(=O)N1CCO[C@@H](c2nnn[n-]2)C1	ZINC000732091730	581802771	/nfs/dbraw/zinc/80/27/71/581802771.db2.gz	OSDITKRPWCVHJF-MRVPVSSYSA-N	-1	0	290.308	0.347	20	30		CCEDRM
N#CCOc1ccccc1C(=O)NCc1nnn[n-]1	ZINC000732157959	581807133	/nfs/dbraw/zinc/80/71/33/581807133.db2.gz	MTNVHCFDCHOJAR-UHFFFAOYSA-N	-1	0	258.241	0.032	20	30		CCEDRM
CC(=NOCC(N)=O)c1cc(C(=O)[O-])ccc1O	ZINC000771574817	581809785	/nfs/dbraw/zinc/80/97/85/581809785.db2.gz	LXSSODZGPFDQAU-UHFFFAOYSA-N	-1	0	252.226	0.316	20	30		CCEDRM
C#CCCCC(=O)[N-]S(=O)(=O)C[C@@H]1CCOC1	ZINC000759612170	581811265	/nfs/dbraw/zinc/81/12/65/581811265.db2.gz	FMSYEPWROVLJAL-SNVBAGLBSA-N	-1	0	259.327	0.272	20	30		CCEDRM
CC(C)(CC(=O)OCCn1ncc(C#N)c1N)NC(=O)[O-]	ZINC000738737192	581830304	/nfs/dbraw/zinc/83/03/04/581830304.db2.gz	FXQWNBMRRANELV-UHFFFAOYSA-N	-1	0	295.299	0.316	20	30		CCEDRM
C=CCOCCCC(=O)[N-]S(=O)(=O)[C@@H](C)COC	ZINC000744136344	581832612	/nfs/dbraw/zinc/83/26/12/581832612.db2.gz	CLRGJXLADSTIMV-JTQLQIEISA-N	-1	0	279.358	0.450	20	30		CCEDRM
C=CCS(=O)(=O)[N-]C(=O)[C@@H](C)OC[C@H]1CCCCO1	ZINC000772713334	581842398	/nfs/dbraw/zinc/84/23/98/581842398.db2.gz	NXLHUTDMKZHQKW-GHMZBOCLSA-N	-1	0	291.369	0.593	20	30		CCEDRM
C=CCS(=O)(=O)[N-]C(=O)c1cccc2[nH]c(=O)oc21	ZINC000772721113	581886538	/nfs/dbraw/zinc/88/65/38/581886538.db2.gz	FGJOLUAZAIDKBH-UHFFFAOYSA-N	-1	0	282.277	0.779	20	30		CCEDRM
C=CCS(=O)(=O)[N-]C(=O)c1cnc2c(cnn2C)c1	ZINC000772722748	581886795	/nfs/dbraw/zinc/88/67/95/581886795.db2.gz	CAAAYGRQWIXQRG-UHFFFAOYSA-N	-1	0	280.309	0.214	20	30		CCEDRM
CS(=O)(=O)CCNN=Cc1ccccc1C(=O)[O-]	ZINC000733205905	581891272	/nfs/dbraw/zinc/89/12/72/581891272.db2.gz	QZFZEBXVLKWNAV-UHFFFAOYSA-N	-1	0	270.310	0.353	20	30		CCEDRM
C=CCOCCCC(=O)NCCc1n[n-]c(=S)o1	ZINC000773085696	581907980	/nfs/dbraw/zinc/90/79/80/581907980.db2.gz	GXFXMVUEFVSZLV-UHFFFAOYSA-N	-1	0	271.342	1.000	20	30		CCEDRM
C=CCN(CC(=O)[O-])C(=O)[C@@H](C)OC[C@H]1CCCO1	ZINC000762067102	581930022	/nfs/dbraw/zinc/93/00/22/581930022.db2.gz	IFCVNFXHFGQHHO-GHMZBOCLSA-N	-1	0	271.313	0.670	20	30		CCEDRM
N#Cc1ccc(C(=O)[N-]S(=O)(=O)C[C@H]2CCOC2)cn1	ZINC000762135450	581933064	/nfs/dbraw/zinc/93/30/64/581933064.db2.gz	BCOGUXNXBFECLO-VIFPVBQESA-N	-1	0	295.320	0.049	20	30		CCEDRM
CC#CC[C@@H](NS(=O)(=O)CCOC(C)C)C(=O)[O-]	ZINC000274980419	581937001	/nfs/dbraw/zinc/93/70/01/581937001.db2.gz	JOISCYBZRHTFLZ-SNVBAGLBSA-N	-1	0	277.342	0.197	20	30		CCEDRM
C#CCCCCC(=O)[N-]S(=O)(=O)[C@@H](C)COC	ZINC000773779564	581941870	/nfs/dbraw/zinc/94/18/70/581941870.db2.gz	KYXLFSKGWGWKDE-JTQLQIEISA-N	-1	0	261.343	0.661	20	30		CCEDRM
C#Cc1ccc(C(=O)N2CCCN(C(=O)[O-])CC2)cn1	ZINC000737496530	581965284	/nfs/dbraw/zinc/96/52/84/581965284.db2.gz	YVPDBNHLWFITKZ-UHFFFAOYSA-N	-1	0	273.292	0.889	20	30		CCEDRM
COC(=O)N(C)CC(=O)Nc1cc(C#N)ccc1[O-]	ZINC000748411083	581973989	/nfs/dbraw/zinc/97/39/89/581973989.db2.gz	WJNMFUFEWNKVDL-UHFFFAOYSA-N	-1	0	263.253	0.901	20	30		CCEDRM
C=CCS(=O)(=O)[N-]C(=O)c1ccc(OC)cc1OC	ZINC000763034218	581979408	/nfs/dbraw/zinc/97/94/08/581979408.db2.gz	RQBFIBOIVGHYEB-UHFFFAOYSA-N	-1	0	285.321	0.949	20	30		CCEDRM
COC(=O)CN(CC#N)C(=O)c1ccc(NC(=O)[O-])cc1	ZINC000737604226	581989390	/nfs/dbraw/zinc/98/93/90/581989390.db2.gz	IPQSPDXXVXHLCW-UHFFFAOYSA-N	-1	0	291.263	0.915	20	30		CCEDRM
C=CCCC(=O)[N-]S(=O)(=O)c1cnn(CC)c1	ZINC000749225912	582000115	/nfs/dbraw/zinc/00/01/15/582000115.db2.gz	FIBAFWTUDUNVGS-UHFFFAOYSA-N	-1	0	257.315	0.674	20	30		CCEDRM
C[C@H](C(=O)Nc1nc(C#N)c(C#N)[n-]1)N1CCSCC1	ZINC000763699874	582009900	/nfs/dbraw/zinc/00/99/00/582009900.db2.gz	FMMAOLXMUNQNNC-MRVPVSSYSA-N	-1	0	290.352	0.529	20	30		CCEDRM
N#Cc1ccc([C@H](O)C(=O)[N-]OC2CCOCC2)cc1	ZINC000775240819	582015846	/nfs/dbraw/zinc/01/58/46/582015846.db2.gz	KJTREEKEOICRPN-ZDUSSCGKSA-N	-1	0	276.292	0.818	20	30		CCEDRM
CC(C)NC(=O)C(C#N)=C([O-])c1cc2n(n1)CCCO2	ZINC000763934392	582021974	/nfs/dbraw/zinc/02/19/74/582021974.db2.gz	YZVLQAVMZYTUGS-SECBINFHSA-N	-1	0	276.296	0.513	20	30		CCEDRM
C[C@H](CO)NN=Cc1cccc(O[C@@H](C)C(=O)[O-])c1	ZINC000749815069	582023181	/nfs/dbraw/zinc/02/31/81/582023181.db2.gz	FHKDCOBMGYQCDZ-ZJUUUORDSA-N	-1	0	266.297	0.843	20	30		CCEDRM
CO[C@H](C)CS(=O)(=O)[N-]C(=O)c1ccc(C#N)nc1	ZINC000764205242	582035883	/nfs/dbraw/zinc/03/58/83/582035883.db2.gz	ALZWZGUDVMTAGU-MRVPVSSYSA-N	-1	0	283.309	0.048	20	30		CCEDRM
Cc1ccc(C(=O)[N-]S(=O)(=O)CCCC#N)nc1	ZINC000776122783	582052807	/nfs/dbraw/zinc/05/28/07/582052807.db2.gz	GVLICCMMEZZSIE-UHFFFAOYSA-N	-1	0	267.310	0.753	20	30		CCEDRM
C#CCN(CC)C(=O)NC[C@H](NC(=O)[O-])C(C)C	ZINC000738459800	582053071	/nfs/dbraw/zinc/05/30/71/582053071.db2.gz	DOITULSZLPDUMA-JTQLQIEISA-N	-1	0	255.318	0.943	20	30		CCEDRM
C#CCN1CCC[C@H]1C(=O)N[C@H]1CCC[C@@H]1CNC(=O)[O-]	ZINC000738459855	582053084	/nfs/dbraw/zinc/05/30/84/582053084.db2.gz	GLMFQKGHCMCXJX-AGIUHOORSA-N	-1	0	293.367	0.637	20	30		CCEDRM
C#CCSCCNC(=O)NCC[C@@H](C)NC(=O)[O-]	ZINC000738469472	582053270	/nfs/dbraw/zinc/05/32/70/582053270.db2.gz	FWWDQKISZKXHIQ-SECBINFHSA-N	-1	0	273.358	0.698	20	30		CCEDRM
Cc1cncc(C(=O)[N-]S(=O)(=O)CC(C)(C)C#N)c1	ZINC000776135829	582053276	/nfs/dbraw/zinc/05/32/76/582053276.db2.gz	HVHMDBUBOAQMRB-UHFFFAOYSA-N	-1	0	281.337	0.999	20	30		CCEDRM
C=CCCOCC(=O)[N-]S(=O)(=O)CC(C)(C)C#N	ZINC000776143586	582054044	/nfs/dbraw/zinc/05/40/44/582054044.db2.gz	RCTQRSKCYHEJDJ-UHFFFAOYSA-N	-1	0	274.342	0.575	20	30		CCEDRM
C=C(C)CN(CC)C(=O)COC(=O)CN(C)C(=O)[O-]	ZINC000738471130	582054410	/nfs/dbraw/zinc/05/44/10/582054410.db2.gz	QFFQEYIDONQQQH-UHFFFAOYSA-N	-1	0	272.301	0.564	20	30		CCEDRM
Cc1cc(C(=O)[N-]S(=O)(=O)CC(C)(C)C#N)n(C)n1	ZINC000776145639	582054590	/nfs/dbraw/zinc/05/45/90/582054590.db2.gz	DZHYSIPSPCYHDA-UHFFFAOYSA-N	-1	0	284.341	0.338	20	30		CCEDRM
CC(C)(C#N)CS(=O)(=O)[N-]C(=O)C[C@H]1CCCCO1	ZINC000776143665	582054633	/nfs/dbraw/zinc/05/46/33/582054633.db2.gz	JEPWMHUSSCXJNB-SNVBAGLBSA-N	-1	0	288.369	0.941	20	30		CCEDRM
C=CCNC(=S)N1CC[C@H](CN(C)C(=O)[O-])C1	ZINC000738491364	582055882	/nfs/dbraw/zinc/05/58/82/582055882.db2.gz	LHADRAMZDCHOOR-SECBINFHSA-N	-1	0	257.359	0.979	20	30		CCEDRM
C=CCNC(=O)c1ccc(N2CC[C@@H](NC(=O)[O-])C2)nc1	ZINC000738494962	582056143	/nfs/dbraw/zinc/05/61/43/582056143.db2.gz	GZEOBXSJJIXJOQ-LLVKDONJSA-N	-1	0	290.323	0.844	20	30		CCEDRM
C[C@H](C#N)CNC(=O)[C@H]1[C@@H](C)OC(C)(C)N1C(=O)[O-]	ZINC000738597929	582064862	/nfs/dbraw/zinc/06/48/62/582064862.db2.gz	WEBAHPINPFTONK-IWSPIJDZSA-N	-1	0	269.301	0.766	20	30		CCEDRM
CC(C)(CCC(=O)NC1CCN(CC#N)CC1)NC(=O)[O-]	ZINC000738741144	582072610	/nfs/dbraw/zinc/07/26/10/582072610.db2.gz	COLXDZRIYKLIKC-UHFFFAOYSA-N	-1	0	296.371	0.917	20	30		CCEDRM
C[C@H]1C[C@H](C(=O)[N-]S(=O)(=O)CCCC#N)CCO1	ZINC000776560870	582077940	/nfs/dbraw/zinc/07/79/40/582077940.db2.gz	UCLZGMDEKLHWRC-VHSXEESVSA-N	-1	0	274.342	0.551	20	30		CCEDRM
N#C[C@@H]1COCCN1C(=O)c1cccc(C(=O)[O-])c1	ZINC000739069441	582100506	/nfs/dbraw/zinc/10/05/06/582100506.db2.gz	QGWATUNCGSGNJJ-LLVKDONJSA-N	-1	0	260.249	0.749	20	30		CCEDRM
N#CCN(CC(=O)[O-])C(=O)CNC(=O)CCC1CCCC1	ZINC000739078426	582101414	/nfs/dbraw/zinc/10/14/14/582101414.db2.gz	GTVCEBKNMULDRF-UHFFFAOYSA-N	-1	0	295.339	0.510	20	30		CCEDRM
N#CCN(CC(=O)[O-])C(=O)Cc1ccccc1F	ZINC000739078112	582101486	/nfs/dbraw/zinc/10/14/86/582101486.db2.gz	AGNCRWAAZSAZLY-UHFFFAOYSA-N	-1	0	250.229	0.805	20	30		CCEDRM
N#CCN(CC(=O)[O-])C(=O)c1ccc(NC2CC2)nc1	ZINC000739085923	582101915	/nfs/dbraw/zinc/10/19/15/582101915.db2.gz	FLZFMLWRWRDTGS-UHFFFAOYSA-N	-1	0	274.280	0.706	20	30		CCEDRM
N#CCN(CC(=O)[O-])C(=O)c1cccc(-n2cccn2)c1	ZINC000739086658	582101918	/nfs/dbraw/zinc/10/19/18/582101918.db2.gz	HWYVGHWAWQAFML-UHFFFAOYSA-N	-1	0	284.275	0.923	20	30		CCEDRM
N#CCN(CC(=O)[O-])C(=O)c1ccc(Cl)nc1	ZINC000739087407	582102069	/nfs/dbraw/zinc/10/20/69/582102069.db2.gz	LGVGXXDLRAETSB-UHFFFAOYSA-N	-1	0	253.645	0.785	20	30		CCEDRM
N#Cc1ccc([C@H](OC(=O)C2(C(N)=O)CC2)C(=O)[O-])cc1	ZINC000739109117	582103005	/nfs/dbraw/zinc/10/30/05/582103005.db2.gz	KAEWUDNKTWXWPX-JTQLQIEISA-N	-1	0	288.259	0.493	20	30		CCEDRM
N#Cc1ccc([C@H](OC(=O)[C@@H]2C[C@@H]2C(=O)[O-])C(N)=O)cc1	ZINC000739110604	582103019	/nfs/dbraw/zinc/10/30/19/582103019.db2.gz	RPXMZJYYJADNBD-AXFHLTTASA-N	-1	0	288.259	0.349	20	30		CCEDRM
N#Cc1ccc([C@H](OC(=O)[C@@H]2COCCO2)C(=O)[O-])cc1	ZINC000739109508	582103154	/nfs/dbraw/zinc/10/31/54/582103154.db2.gz	LPJRYEQXMSSAAN-RYUDHWBXSA-N	-1	0	291.259	0.643	20	30		CCEDRM
CN1C(=O)CN(N=Cc2cc([O-])ccc2[N+](=O)[O-])C1=O	ZINC000768380183	582106073	/nfs/dbraw/zinc/10/60/73/582106073.db2.gz	OTFHZCNMVNLGNU-UHFFFAOYSA-N	-1	0	278.224	0.528	20	30		CCEDRM
O=C([O-])Cn1cc(CN=Nc2nncc3ccccc32)nn1	ZINC000768475723	582107216	/nfs/dbraw/zinc/10/72/16/582107216.db2.gz	APKYIJAYNZXGOK-UHFFFAOYSA-N	-1	0	297.278	0.752	20	30		CCEDRM
CCN(CCC(=O)[O-])C(=O)[C@@]1(C#N)CCCOC1	ZINC000923052103	615034504	/nfs/dbraw/zinc/03/45/04/615034504.db2.gz	MRLVLHZOYCRMQO-GFCCVEGCSA-N	-1	0	254.286	0.630	20	30		CCEDRM
CC[S@@](C)(=O)=NS(=O)(=O)[N-][C@@H](C#N)C(C)(C)C	ZINC000906059928	616011949	/nfs/dbraw/zinc/01/19/49/616011949.db2.gz	CPUMLUKKYUQJHM-ZKANADHPSA-N	-1	0	281.403	0.877	20	30		CCEDRM
C[C@H](NC(=O)C(=O)Nc1ccc(F)c(C#N)c1)C(=O)[O-]	ZINC000818017588	597517211	/nfs/dbraw/zinc/51/72/11/597517211.db2.gz	CVNJLCSWCRRLII-LURJTMIESA-N	-1	0	279.227	0.225	20	30		CCEDRM
C[C@](C#N)(CC(=O)[O-])C(=O)N[C@@H]1CCO[C@@]2(CCOC2)C1	ZINC000819833499	597607109	/nfs/dbraw/zinc/60/71/09/597607109.db2.gz	HKTQUAKMCBANHX-HONMWMINSA-N	-1	0	296.323	0.445	20	30		CCEDRM
C[C@@](C#N)(CC(=O)[O-])C(=O)N[C@H]1CCCOCC1	ZINC000819821207	597608570	/nfs/dbraw/zinc/60/85/70/597608570.db2.gz	DIVWTIPHPNPNQP-CABZTGNLSA-N	-1	0	254.286	0.676	20	30		CCEDRM
Cn1cc(C(=O)COC(=O)[C@](C)(C#N)CC(=O)[O-])cn1	ZINC000821277854	597617747	/nfs/dbraw/zinc/61/77/47/597617747.db2.gz	QWFWHRAGVHXGNG-LBPRGKRZSA-N	-1	0	279.252	0.151	20	30		CCEDRM
C[C@@](C#N)(CC(=O)[O-])C(=O)OCC(=O)NCc1ccco1	ZINC000819866565	597619903	/nfs/dbraw/zinc/61/99/03/597619903.db2.gz	YMJUBQFXNJXYMH-ZDUSSCGKSA-N	-1	0	294.263	0.444	20	30		CCEDRM
Cn1ccc(COC(=O)[C@](C)(C#N)CC(=O)[O-])cc1=O	ZINC000821304663	597621680	/nfs/dbraw/zinc/62/16/80/597621680.db2.gz	AMSAJQKRLGKXJM-ZDUSSCGKSA-N	-1	0	278.264	0.433	20	30		CCEDRM
C[C@@](C#N)(CC(=O)[O-])C(=O)OCc1nnc(C2CC2)o1	ZINC000819874102	597623509	/nfs/dbraw/zinc/62/35/09/597623509.db2.gz	HGYOYBHERJFKKX-LBPRGKRZSA-N	-1	0	279.252	0.995	20	30		CCEDRM
C[C@@H](OC(=O)[C@@](C)(C#N)CC(=O)[O-])C(=O)NC1CC1	ZINC000820160902	597625005	/nfs/dbraw/zinc/62/50/05/597625005.db2.gz	KNJOCPNUGTVMIG-JMCQJSRRSA-N	-1	0	268.269	0.201	20	30		CCEDRM
C[C@@](C#N)(CC(=O)[O-])C(=O)N1CCCSCC1	ZINC000819812101	597634330	/nfs/dbraw/zinc/63/43/30/597634330.db2.gz	YUIUCSMGDNDVBY-NSHDSACASA-N	-1	0	256.327	0.956	20	30		CCEDRM
C[C@H](O)C[C@H](C)CNC(=O)[C@](C)(C#N)CC(=O)[O-]	ZINC000820161540	597651551	/nfs/dbraw/zinc/65/15/51/597651551.db2.gz	QPICPOPGDTVSEB-AUTRQRHGSA-N	-1	0	256.302	0.514	20	30		CCEDRM
C[C@@](C#N)(CC(=O)[O-])C(=O)N1C[C@H]2CC[C@@H](C1)O2	ZINC000819810544	597652820	/nfs/dbraw/zinc/65/28/20/597652820.db2.gz	CFNPNBGVFNKYGZ-SBMIAAHKSA-N	-1	0	252.270	0.381	20	30		CCEDRM
C[C@](C#N)(CC(=O)[O-])C(=O)N[C@@H]1CCCC[C@@H]1O	ZINC000819822506	597656524	/nfs/dbraw/zinc/65/65/24/597656524.db2.gz	OEYANBNLSGWDES-VDDIYKPWSA-N	-1	0	254.286	0.411	20	30		CCEDRM
C[C@H](NC(=O)[C@@](C)(C#N)CC(=O)[O-])c1cn[nH]c1	ZINC000820115863	597660088	/nfs/dbraw/zinc/66/00/88/597660088.db2.gz	ZTHBXVHXYVXOOT-WRWORJQWSA-N	-1	0	250.258	0.591	20	30		CCEDRM
C[C@H](C(=O)[O-])N(C)C(=O)[C@@H](O)c1ccc(C#N)cc1	ZINC000819889143	597667960	/nfs/dbraw/zinc/66/79/60/597667960.db2.gz	LRAGALBYIPWPSG-KCJUWKMLSA-N	-1	0	262.265	0.523	20	30		CCEDRM
C[C@](C#N)(CC(=O)[O-])C(=O)N[C@H]1CC[C@H](O)CC1	ZINC000819846862	597668717	/nfs/dbraw/zinc/66/87/17/597668717.db2.gz	HHNMPVKTHVBHGZ-KBVBSXBZSA-N	-1	0	254.286	0.411	20	30		CCEDRM
N#Cc1ccc([C@@H](O)C(=O)N2CCC[C@@H]2C(=O)[O-])cc1	ZINC000821330226	597670385	/nfs/dbraw/zinc/67/03/85/597670385.db2.gz	WXISFIBVPFYPFS-VXGBXAGGSA-N	-1	0	274.276	0.667	20	30		CCEDRM
NC(=O)c1ccc(N=NCc2cccc(C(=O)[O-])c2)nn1	ZINC000814869745	598201502	/nfs/dbraw/zinc/20/15/02/598201502.db2.gz	CJZIWGHASYIGPO-UHFFFAOYSA-N	-1	0	285.263	0.720	20	30		CCEDRM
C[C@](C#N)(CC(=O)[O-])C(=O)NCc1ccc(C(N)=O)cc1	ZINC000819843085	598222326	/nfs/dbraw/zinc/22/23/26/598222326.db2.gz	XYQHDOKVXUJTDO-CQSZACIVSA-N	-1	0	289.291	0.406	20	30		CCEDRM
C[C@](C#N)(CC(=O)[O-])C(=O)Nc1ncc(C(N)=O)s1	ZINC000819865450	598223182	/nfs/dbraw/zinc/22/31/82/598223182.db2.gz	LFRDBNDIOCJYSK-SNVBAGLBSA-N	-1	0	282.281	0.185	20	30		CCEDRM
C[C@H](NC(=O)[C@@](C)(C#N)CC(=O)[O-])[C@H]1CCCO1	ZINC000820113802	598223620	/nfs/dbraw/zinc/22/36/20/598223620.db2.gz	GRNBATUIVRRGPU-YGOYTEALSA-N	-1	0	254.286	0.675	20	30		CCEDRM
C[C@@H]1CN(C(=O)[C@](C)(C#N)CC(=O)[O-])[C@@H](C)CO1	ZINC000820246059	598223760	/nfs/dbraw/zinc/22/37/60/598223760.db2.gz	RNOFGOJPZJIQSD-SBMIAAHKSA-N	-1	0	254.286	0.627	20	30		CCEDRM
C[C@@](C#N)(CC(=O)[O-])C(=O)NCC(=O)NC1CCCC1	ZINC000819832821	598225447	/nfs/dbraw/zinc/22/54/47/598225447.db2.gz	DEZIIVXVANUNDK-ZDUSSCGKSA-N	-1	0	281.312	0.166	20	30		CCEDRM
C[C@@](C#N)(CC(=O)[O-])C(=O)NCc1cscn1	ZINC000819848409	598225732	/nfs/dbraw/zinc/22/57/32/598225732.db2.gz	SKOZJQNOWMSLQI-JTQLQIEISA-N	-1	0	253.283	0.764	20	30		CCEDRM
C[C@H](NC(=O)[C@](C)(C#N)CC(=O)[O-])c1cnn(C)c1	ZINC000820114563	598228451	/nfs/dbraw/zinc/22/84/51/598228451.db2.gz	PKQLGHFEZQIPAF-UFBFGSQYSA-N	-1	0	264.285	0.602	20	30		CCEDRM
C[C@H](C[C@@H]1CCOC1)NC(=O)[C@](C)(C#N)CC(=O)[O-]	ZINC000820088489	598230290	/nfs/dbraw/zinc/23/02/90/598230290.db2.gz	AIXGGFSJCALNNQ-NRUUGDAUSA-N	-1	0	268.313	0.922	20	30		CCEDRM
C[C@@H](NC(=O)[C@](C)(C#N)CC(=O)[O-])C(=O)OC(C)(C)C	ZINC000820115545	598230463	/nfs/dbraw/zinc/23/04/63/598230463.db2.gz	XDSCMPUTFHDORN-OQPBUACISA-N	-1	0	284.312	0.837	20	30		CCEDRM
C[C@](C#N)(CC(=O)[O-])C(=O)N1CCOC2(CCOCC2)C1	ZINC000819822027	598230584	/nfs/dbraw/zinc/23/05/84/598230584.db2.gz	LHQFRCWTTHVNKT-CYBMUJFWSA-N	-1	0	296.323	0.399	20	30		CCEDRM
C#CCOCCOC(=O)c1ccc(CNC(=O)[O-])o1	ZINC000823463303	612991166	/nfs/dbraw/zinc/99/11/66/612991166.db2.gz	MAGFVLIMZJJISZ-UHFFFAOYSA-N	-1	0	267.237	0.854	20	30		CCEDRM
C[C@@H]1CCCC[C@H]1NC(=O)CN(CC#N)CC(=O)[O-]	ZINC000828252370	601004684	/nfs/dbraw/zinc/00/46/84/601004684.db2.gz	STKAFQMEDSCFCV-GHMZBOCLSA-N	-1	0	267.329	0.591	20	30		CCEDRM
C#CCO[C@@H](C)C(=O)NC[C@H](CC(C)C)C(=O)[O-]	ZINC000909292468	612996359	/nfs/dbraw/zinc/99/63/59/612996359.db2.gz	VQFAFZVZTCEPHE-QWRGUYRKSA-N	-1	0	255.314	0.888	20	30		CCEDRM
C#CC(=O)N[C@@H](CC(=O)[O-])c1ccc(OC)cc1OC	ZINC000833360127	612945661	/nfs/dbraw/zinc/94/56/61/612945661.db2.gz	DIDZKPONSKCYDF-NSHDSACASA-N	-1	0	277.276	0.969	20	30		CCEDRM
C#CC(C)(C)NC(=O)c1ccc([N-]S(C)(=O)=O)nc1	ZINC000859372928	612945953	/nfs/dbraw/zinc/94/59/53/612945953.db2.gz	JOUYMTXMZWMNDS-UHFFFAOYSA-N	-1	0	281.337	0.595	20	30		CCEDRM
N#C[C@@H]1CN(S(=O)(=O)c2ccc(C(=O)[O-])cc2)CCO1	ZINC000093932569	599981028	/nfs/dbraw/zinc/98/10/28/599981028.db2.gz	KZAMFRTUHRMRCK-SNVBAGLBSA-N	-1	0	296.304	0.298	20	30		CCEDRM
COCCN(CC(=O)[O-])CC(=O)Nc1sccc1C#N	ZINC000049607454	600394969	/nfs/dbraw/zinc/39/49/69/600394969.db2.gz	DMKWQOTWZBNDLY-UHFFFAOYSA-N	-1	0	297.336	0.591	20	30		CCEDRM
N#CCN(CC(=O)[O-])C(=O)c1cc(N)nc(Cl)c1	ZINC000739079132	600401608	/nfs/dbraw/zinc/40/16/08/600401608.db2.gz	RSQSCUBIGLTGNB-UHFFFAOYSA-N	-1	0	268.660	0.368	20	30		CCEDRM
C#CCNC(=O)N[C@@H]1CCCC[C@@H]1CNC(=O)[O-]	ZINC000823455948	612947049	/nfs/dbraw/zinc/94/70/49/612947049.db2.gz	IDYPQVPXEPZKGV-NXEZZACHSA-N	-1	0	253.302	0.745	20	30		CCEDRM
C#CCNC(=O)Nc1ccc(C(=O)[O-])c(C(=O)OC)c1	ZINC000825619862	612947303	/nfs/dbraw/zinc/94/73/03/612947303.db2.gz	QGSSEEHMDBLJHX-UHFFFAOYSA-N	-1	0	276.248	0.926	20	30		CCEDRM
CC(C)N(CCC#N)S(=O)(=O)CCCC(=O)[O-]	ZINC000036133570	600583458	/nfs/dbraw/zinc/58/34/58/600583458.db2.gz	YXNDFJNLPYVXHM-UHFFFAOYSA-N	-1	0	262.331	0.805	20	30		CCEDRM
C=CCNC(=O)NC(=O)CS[C@H](C)CC(=O)[O-]	ZINC000090098045	600589294	/nfs/dbraw/zinc/58/92/94/600589294.db2.gz	CHWJMIHPJCBHFJ-SSDOTTSWSA-N	-1	0	260.315	0.595	20	30		CCEDRM
Cc1cc(C#N)ccc1S(=O)(=O)N1CC[C@H](C(=O)[O-])C1	ZINC000179072173	600720529	/nfs/dbraw/zinc/72/05/29/600720529.db2.gz	DZDNPCMJWJGBKY-NSHDSACASA-N	-1	0	294.332	0.962	20	30		CCEDRM
N#Cc1ccc([C@H](NCc2nnnn2C2CC2)C(=O)[O-])cc1	ZINC000833070857	600759288	/nfs/dbraw/zinc/75/92/88/600759288.db2.gz	BFUAZXNEGWOOHL-ZDUSSCGKSA-N	-1	0	298.306	0.795	20	30		CCEDRM
C#CCN(CC#CC)S(=O)(=O)c1n[nH]c(C)c1C(=O)[O-]	ZINC000688492532	600777941	/nfs/dbraw/zinc/77/79/41/600777941.db2.gz	MMNWSIGKDNZEOJ-UHFFFAOYSA-N	-1	0	295.320	0.064	20	30		CCEDRM
N#C[C@@H]1CN(C(=O)[C@@H]2CCC[C@H](C(=O)[O-])C2)CCO1	ZINC000093937582	600935840	/nfs/dbraw/zinc/93/58/40/600935840.db2.gz	IAROISOEQUDDTE-OUAUKWLOSA-N	-1	0	266.297	0.628	20	30		CCEDRM
CC(C)(C#N)CCCN1CCNC(=O)[C@H]1CC(=O)[O-]	ZINC000087600114	601112362	/nfs/dbraw/zinc/11/23/62/601112362.db2.gz	SOWQMLHQULXBQZ-SNVBAGLBSA-N	-1	0	267.329	0.591	20	30		CCEDRM
C#CCSCC(=O)[N-]S(=O)(=O)C1(C=C)CC1	ZINC000893305479	613013225	/nfs/dbraw/zinc/01/32/25/613013225.db2.gz	RLRACTAHUSZYAJ-UHFFFAOYSA-N	-1	0	259.352	0.517	20	30		CCEDRM
Cc1oc(S(=O)(=O)N(CC#N)CC#N)cc1C(=O)[O-]	ZINC000833026167	601219933	/nfs/dbraw/zinc/21/99/33/601219933.db2.gz	BGKTYKRPOJCRPH-UHFFFAOYSA-N	-1	0	283.265	0.324	20	30		CCEDRM
N#CCN(CC(=O)[O-])Cc1cn(-c2ccccc2)nn1	ZINC000833067219	601226331	/nfs/dbraw/zinc/22/63/31/601226331.db2.gz	RCTSZWGDSHLUPC-UHFFFAOYSA-N	-1	0	271.280	0.677	20	30		CCEDRM
C[C@H]1CCCCN1C(=O)CN(CC#N)CC(=O)[O-]	ZINC000828251317	601226565	/nfs/dbraw/zinc/22/65/65/601226565.db2.gz	GSMRQHWRUQLGGV-JTQLQIEISA-N	-1	0	253.302	0.298	20	30		CCEDRM
C[C@@H]1CCCC[C@@H]1N(C)C(=O)CN(CC#N)CC(=O)[O-]	ZINC000828246058	601227229	/nfs/dbraw/zinc/22/72/29/601227229.db2.gz	QSFWZSNFEATHTJ-NEPJUHHUSA-N	-1	0	281.356	0.934	20	30		CCEDRM
Cc1cccc(C)c1OC[C@@H](O)CN(CC#N)CC(=O)[O-]	ZINC000832966057	601227524	/nfs/dbraw/zinc/22/75/24/601227524.db2.gz	PDASEFPEQHZFBE-ZDUSSCGKSA-N	-1	0	292.335	0.953	20	30		CCEDRM
C#CCN(CC#C)S(=O)(=O)c1ccc(C(=O)[O-])s1	ZINC000688514583	601387163	/nfs/dbraw/zinc/38/71/63/601387163.db2.gz	SLCOWNXSJQHZCB-UHFFFAOYSA-N	-1	0	283.330	0.703	20	30		CCEDRM
N#Cc1c[nH]c(C(=O)Nc2ccn(CC(=O)[O-])n2)c1	ZINC000833068474	601437417	/nfs/dbraw/zinc/43/74/17/601437417.db2.gz	YLHMFTMDKAIVRK-UHFFFAOYSA-N	-1	0	259.225	0.420	20	30		CCEDRM
N#C[C@@H]1CCC[C@@H]1NS(=O)(=O)c1c[nH]c(C(=O)[O-])c1	ZINC000061890073	601476671	/nfs/dbraw/zinc/47/66/71/601476671.db2.gz	BBVVPZKHEDGVCY-CBAPKCEASA-N	-1	0	283.309	0.683	20	30		CCEDRM
N#C[C@H]1CCC[C@H]1NS(=O)(=O)CCCC(=O)[O-]	ZINC000061890074	601476732	/nfs/dbraw/zinc/47/67/32/601476732.db2.gz	YQPIMCOPJSVNRS-RKDXNWHRSA-N	-1	0	260.315	0.463	20	30		CCEDRM
N#C[C@H]1CCC[C@@H]1NS(=O)(=O)CC1(CC(=O)[O-])CC1	ZINC000833063181	601520625	/nfs/dbraw/zinc/52/06/25/601520625.db2.gz	TXSZCIRKKUWDHM-ZJUUUORDSA-N	-1	0	286.353	0.853	20	30		CCEDRM
N#Cc1ccc([C@@H](C(N)=O)N2CC[C@@](F)(C(=O)[O-])C2)cc1	ZINC000833071150	601550823	/nfs/dbraw/zinc/55/08/23/601550823.db2.gz	DEJMLOCUTOVBLY-FZMZJTMJSA-N	-1	0	291.282	0.583	20	30		CCEDRM
N#Cc1ccc(NC(=O)CN2CC[C@](F)(C(=O)[O-])C2)cc1	ZINC000833073283	601555343	/nfs/dbraw/zinc/55/53/43/601555343.db2.gz	KNDRDFAVEQPGQT-CQSZACIVSA-N	-1	0	291.282	0.995	20	30		CCEDRM
O=C([O-])c1ccc(Cn2ccc(C=NO)nc2=O)cc1F	ZINC000833318359	601636913	/nfs/dbraw/zinc/63/69/13/601636913.db2.gz	ZHMXNIDLRNINGS-UHFFFAOYSA-N	-1	0	291.238	0.937	20	30		CCEDRM
Cn1cc(C#N)cc1C(=O)N1CC[C@](F)(C(=O)[O-])C1	ZINC000833040450	601659559	/nfs/dbraw/zinc/65/95/59/601659559.db2.gz	IDGVZNFEJYCSON-GFCCVEGCSA-N	-1	0	265.244	0.536	20	30		CCEDRM
C[C@H]1CN(C(=O)NC2CCN(CC#N)CC2)C[C@H]1C(=O)[O-]	ZINC000828348170	601660608	/nfs/dbraw/zinc/66/06/08/601660608.db2.gz	IEXCIKNQQATZBS-CMPLNLGQSA-N	-1	0	294.355	0.336	20	30		CCEDRM
C#CCCCCNC(=O)N1CCO[C@@H](CC(=O)[O-])C1	ZINC000229757764	602264602	/nfs/dbraw/zinc/26/46/02/602264602.db2.gz	CSJSIGJDUQBLGM-NSHDSACASA-N	-1	0	268.313	0.675	20	30		CCEDRM
Cn1cc(NC(=O)N2CCO[C@@H](C#N)C2)cc1C(=O)[O-]	ZINC000833048938	602379326	/nfs/dbraw/zinc/37/93/26/602379326.db2.gz	QMXKQDMLTPBZDB-VIFPVBQESA-N	-1	0	278.268	0.480	20	30		CCEDRM
CN(CCNC(=O)Cc1ccc(OCC#N)cc1)C(=O)[O-]	ZINC000739692233	602495926	/nfs/dbraw/zinc/49/59/26/602495926.db2.gz	OWQDNZIDOBVQEB-UHFFFAOYSA-N	-1	0	291.307	0.857	20	30		CCEDRM
C#CC1(NC(=O)[C@@H](C)O[C@H](C)C(=O)[O-])CCCC1	ZINC000887316193	612950250	/nfs/dbraw/zinc/95/02/50/612950250.db2.gz	LUOXMZJGMOELCT-NXEZZACHSA-N	-1	0	253.298	0.927	20	30		CCEDRM
N#Cc1ccc(C(=O)N2CCC[C@@H]2CNC(=O)[O-])nc1	ZINC000831122276	603131898	/nfs/dbraw/zinc/13/18/98/603131898.db2.gz	BYUFOCDBOPCOEP-SNVBAGLBSA-N	-1	0	274.280	0.825	20	30		CCEDRM
O=C(C#Cc1ccccc1)N[C@@H]1CCN(C(=O)[O-])C1	ZINC000831265759	603490384	/nfs/dbraw/zinc/49/03/84/603490384.db2.gz	SDXIUSNOBZQVLT-GFCCVEGCSA-N	-1	0	258.277	0.907	20	30		CCEDRM
Cn1cc(C#N)cc1C(=O)N1CCC[C@H](NC(=O)[O-])C1	ZINC000830984341	603504105	/nfs/dbraw/zinc/50/41/05/603504105.db2.gz	DBFDEHWGYXYPMU-JTQLQIEISA-N	-1	0	276.296	0.769	20	30		CCEDRM
Cn1cc(C#N)cc1C(=O)N[C@H]1CCN(C(=O)[O-])C1	ZINC000830989867	603516411	/nfs/dbraw/zinc/51/64/11/603516411.db2.gz	UXOXXXXVBYMHBN-VIFPVBQESA-N	-1	0	262.269	0.379	20	30		CCEDRM
Cc1occc1C(=O)N1CCN(C(=O)[O-])C[C@@H]1C#N	ZINC000830948759	603595010	/nfs/dbraw/zinc/59/50/10/603595010.db2.gz	PMWKFWBXZHWRSK-VIFPVBQESA-N	-1	0	263.253	0.916	20	30		CCEDRM
N#Cc1ccc(CNC(=O)NC2CN(C(=O)[O-])C2)c(F)c1	ZINC000831126680	603633588	/nfs/dbraw/zinc/63/35/88/603633588.db2.gz	OXMQLCWTFNTMJN-UHFFFAOYSA-N	-1	0	292.270	0.859	20	30		CCEDRM
N#C[C@@H]1CN(C(=O)C2(CNC(=O)[O-])CCCC2)CCO1	ZINC000831076787	603663076	/nfs/dbraw/zinc/66/30/76/603663076.db2.gz	SWXVYFQREIIHHB-SNVBAGLBSA-N	-1	0	281.312	0.565	20	30		CCEDRM
C[C@H](C#N)CN(C)C(=O)C(C)(C)N1CCN(C(=O)[O-])CC1	ZINC000823647811	603689164	/nfs/dbraw/zinc/68/91/64/603689164.db2.gz	OCXCRCFLWUYMOB-LLVKDONJSA-N	-1	0	296.371	0.679	20	30		CCEDRM
C[C@H](C#N)NC(=O)[C@H]1[C@@H](C)OC(C)(C)N1C(=O)[O-]	ZINC000823647427	603699887	/nfs/dbraw/zinc/69/98/87/603699887.db2.gz	LGCCJUAPUGZDJQ-BWZBUEFSSA-N	-1	0	255.274	0.518	20	30		CCEDRM
C[C@@H](NC(=O)C(=O)Nc1cc(C#N)ccc1Cl)C(=O)[O-]	ZINC000818018373	617182188	/nfs/dbraw/zinc/18/21/88/617182188.db2.gz	OZOJDFDVUUXQAG-ZCFIWIBFSA-N	-1	0	295.682	0.739	20	30		CCEDRM
C[C@H]1CN(C(=O)c2cc(C#N)c[nH]2)CCN1C(=O)[O-]	ZINC000826033624	603918937	/nfs/dbraw/zinc/91/89/37/603918937.db2.gz	AFOBPIGWVBJNBM-QMMMGPOBSA-N	-1	0	262.269	0.711	20	30		CCEDRM
C[C@@]1(C(=O)N2CCO[C@H](C#N)C2)CCN(C(=O)[O-])C1	ZINC000825657629	603929852	/nfs/dbraw/zinc/92/98/52/603929852.db2.gz	VCHBWLXFWGKQNH-BXKDBHETSA-N	-1	0	267.285	0.127	20	30		CCEDRM
N#C[C@H]1CN(C(=O)[O-])CCN1C(=O)c1cc([N+](=O)[O-])c[nH]1	ZINC000831086917	604069657	/nfs/dbraw/zinc/06/96/57/604069657.db2.gz	HOIJKZVTUCOXFW-QMMMGPOBSA-N	-1	0	293.239	0.251	20	30		CCEDRM
N#C[C@H]1CN(C(=O)[O-])CCN1C(=O)CC[C@@H]1CCOC1	ZINC000831082690	604071482	/nfs/dbraw/zinc/07/14/82/604071482.db2.gz	OPGZLGDGGOIORF-MNOVXSKESA-N	-1	0	281.312	0.517	20	30		CCEDRM
Cc1noc(C)c1CC(=O)N1CCN(C(=O)[O-])C[C@@H]1C#N	ZINC000830909929	604078653	/nfs/dbraw/zinc/07/86/53/604078653.db2.gz	ZGQJDUOUNJXEGA-JTQLQIEISA-N	-1	0	292.295	0.548	20	30		CCEDRM
N#Cc1c[nH]c(C(=O)N2CCN(C(=O)[O-])C[C@H]2C#N)c1	ZINC000831113373	604079366	/nfs/dbraw/zinc/07/93/66/604079366.db2.gz	BHKBKMPKORYLLA-SECBINFHSA-N	-1	0	273.252	0.214	20	30		CCEDRM
N#C[C@H]1CN(C(=O)[O-])CCN1C(=O)/C=C/c1cnccn1	ZINC000831076384	604080288	/nfs/dbraw/zinc/08/02/88/604080288.db2.gz	LMMWRQLBFPQILG-GXFZAYBSSA-N	-1	0	287.279	0.204	20	30		CCEDRM
C=C(COC(=O)CC1CN(C(=O)[O-])C1)C(=O)OCC	ZINC000823480664	604098399	/nfs/dbraw/zinc/09/83/99/604098399.db2.gz	KCNPQYBGGQKRLP-UHFFFAOYSA-N	-1	0	271.269	0.649	20	30		CCEDRM
C[C@]1(C(=O)N2CCN(C(=O)[O-])C[C@@H]2C#N)CCCO1	ZINC000825650608	604221278	/nfs/dbraw/zinc/22/12/78/604221278.db2.gz	NJUQCOFVZWROGI-JOYOIKCWSA-N	-1	0	267.285	0.270	20	30		CCEDRM
N#C[C@@H]1CCC[C@H]1NC(=O)[C@H]1CN(C(=O)[O-])CCO1	ZINC000831076857	604273346	/nfs/dbraw/zinc/27/33/46/604273346.db2.gz	UBYFLMWHFKLDJR-IVZWLZJFSA-N	-1	0	267.285	0.174	20	30		CCEDRM
CC(C)C[C@H](C#N)NS(=O)(=O)c1cc(C(=O)[O-])n(C)c1	ZINC000833474696	604540280	/nfs/dbraw/zinc/54/02/80/604540280.db2.gz	UKDHDMVJSJSILU-SECBINFHSA-N	-1	0	299.352	0.940	20	30		CCEDRM
O=C([O-])N1CC(NC(=O)NCC#Cc2ccccc2)C1	ZINC000831610968	604569850	/nfs/dbraw/zinc/56/98/50/604569850.db2.gz	ZGQXTTBMORMYDQ-UHFFFAOYSA-N	-1	0	273.292	0.700	20	30		CCEDRM
N#Cc1cccc(NC(=O)[C@@H]2CN(C(=O)[O-])CCO2)c1	ZINC000831152980	604643087	/nfs/dbraw/zinc/64/30/87/604643087.db2.gz	UCWNIZAISZIKCR-NSHDSACASA-N	-1	0	275.264	0.876	20	30		CCEDRM
C[C@@H](NC(=O)[O-])[C@H]1CN(C(=O)C2(C#N)CC(C)C2)CCO1	ZINC000825783293	604714621	/nfs/dbraw/zinc/71/46/21/604714621.db2.gz	FXIOWGGBEJIKSS-JXRVJTEKSA-N	-1	0	295.339	0.810	20	30		CCEDRM
C[C@@H](NC(=O)[O-])[C@H]1CN(C(=O)C2(C#N)CCC2)CCO1	ZINC000825292869	604736132	/nfs/dbraw/zinc/73/61/32/604736132.db2.gz	CTYUQPJJUBYKDI-NXEZZACHSA-N	-1	0	281.312	0.564	20	30		CCEDRM
C[C@@H](OC(=O)C1(NC(=O)[O-])CC1)C(=O)N(C)CCC#N	ZINC000825543670	604760203	/nfs/dbraw/zinc/76/02/03/604760203.db2.gz	GJIUKHSIUFMFTD-MRVPVSSYSA-N	-1	0	283.284	0.090	20	30		CCEDRM
CC#CCn1cc(-c2nnn[n-]2)c(=O)c2nc(C)ccc21	ZINC000823944147	607716916	/nfs/dbraw/zinc/71/69/16/607716916.db2.gz	YSKVFLVTHQTDMM-UHFFFAOYSA-N	-1	0	280.291	0.908	20	30		CCEDRM
N#C[C@@H]1CN(C(=O)[O-])CCN1C(=O)[C@@H]1CCSC1	ZINC000831076668	604868292	/nfs/dbraw/zinc/86/82/92/604868292.db2.gz	QRJUEJMRIHTQLI-RKDXNWHRSA-N	-1	0	269.326	0.454	20	30		CCEDRM
C[C@H](C(N)=O)N(C)[C@H](C(=O)[O-])c1ccc(C#N)cc1	ZINC000833408945	604972797	/nfs/dbraw/zinc/97/27/97/604972797.db2.gz	XWRNVTQGSNNBBD-KCJUWKMLSA-N	-1	0	261.281	0.490	20	30		CCEDRM
C[C@H](C(=O)[O-])n1cccc1C=NN1CC(=O)N(C)C1=O	ZINC000833407792	605041013	/nfs/dbraw/zinc/04/10/13/605041013.db2.gz	PSGSGGIJVGRGTB-MRVPVSSYSA-N	-1	0	278.268	0.362	20	30		CCEDRM
N#CCN1CCC(OC(=O)[C@H]2CCN(C(=O)[O-])C2)CC1	ZINC000831102575	605269724	/nfs/dbraw/zinc/26/97/24/605269724.db2.gz	NSWZAPKFDDPKIB-JTQLQIEISA-N	-1	0	281.312	0.517	20	30		CCEDRM
N#C[C@@H]1COCCN1C(=O)CC[C@@H]1CCCN1C(=O)[O-]	ZINC000833968755	605482030	/nfs/dbraw/zinc/48/20/30/605482030.db2.gz	XTFILJOABJSVMU-WDEREUQCSA-N	-1	0	281.312	0.660	20	30		CCEDRM
N#C[C@H]1CN(C(=O)[O-])CCN1C(=O)C1SCCS1	ZINC000833966076	605621789	/nfs/dbraw/zinc/62/17/89/605621789.db2.gz	HGEUYSYWOOACAV-ZETCQYMHSA-N	-1	0	287.366	0.507	20	30		CCEDRM
C[C@@H](CC#N)NC(=O)C[C@H]1CSCCN1C(=O)[O-]	ZINC000824544143	605636511	/nfs/dbraw/zinc/63/65/11/605636511.db2.gz	NBHKHLIBHZIGON-IUCAKERBSA-N	-1	0	271.342	0.890	20	30		CCEDRM
N#C[C@@H]1CN(C(=O)C[C@@H]2CSCCN2C(=O)[O-])CCO1	ZINC000831075713	605644709	/nfs/dbraw/zinc/64/47/09/605644709.db2.gz	CGVNUINSTGVPAI-NXEZZACHSA-N	-1	0	299.352	0.223	20	30		CCEDRM
N#C[C@@H]1CN(C(=O)[O-])C[C@H]1NC[C@H](O)C(F)(F)F	ZINC000833966314	605685595	/nfs/dbraw/zinc/68/55/95/605685595.db2.gz	KAPZJTUPKSJMCS-QYNIQEEDSA-N	-1	0	267.207	0.001	20	30		CCEDRM
N#CCSCc1nc([C@H]2COCCN2C(=O)[O-])no1	ZINC000833967314	605701608	/nfs/dbraw/zinc/70/16/08/605701608.db2.gz	JMPWEDRSMHJVST-SSDOTTSWSA-N	-1	0	284.297	0.878	20	30		CCEDRM
N#Cc1ccc(CNC(=O)NCC2CN(C(=O)[O-])C2)cc1	ZINC000833972280	605730482	/nfs/dbraw/zinc/73/04/82/605730482.db2.gz	YKURTOMUTZKHAT-UHFFFAOYSA-N	-1	0	288.307	0.967	20	30		CCEDRM
C[C@@H](OC(=O)c1cc(C(=O)[O-])no1)C(=O)N(C)CCC#N	ZINC000833532878	605827153	/nfs/dbraw/zinc/82/71/53/605827153.db2.gz	KQKPDAMYLMSGLB-SSDOTTSWSA-N	-1	0	295.251	0.290	20	30		CCEDRM
O=C([O-])N[C@H]1CCCC1=NNC(=S)NC1CC1	ZINC000834169810	605857164	/nfs/dbraw/zinc/85/71/64/605857164.db2.gz	OKBPSQDWSHLOHW-ZETCQYMHSA-N	-1	0	256.331	0.789	20	30		CCEDRM
N#CC1(C(=O)NC[C@H](NC(=O)[O-])C2CC2)CCC1	ZINC000833964296	605914053	/nfs/dbraw/zinc/91/40/53/605914053.db2.gz	FEZUWRXJQJFLSQ-VIFPVBQESA-N	-1	0	251.286	0.843	20	30		CCEDRM
N#C[C@]1(NC(=O)CCCCNC(=O)[O-])CCSC1	ZINC000833963646	605920363	/nfs/dbraw/zinc/92/03/63/605920363.db2.gz	PYXGQPKHERIJIJ-LLVKDONJSA-N	-1	0	271.342	0.940	20	30		CCEDRM
C#CCN(CC#CC)C(=O)c1cnc(NC(=O)[O-])cn1	ZINC000833787194	606025946	/nfs/dbraw/zinc/02/59/46/606025946.db2.gz	IVRILTGHSNDOLE-UHFFFAOYSA-N	-1	0	272.264	0.665	20	30		CCEDRM
N#Cc1nc(NC(=O)[C@@H]2C[C@@H]2C2CC2)[n-]c1-c1nn[nH]n1	ZINC000822815693	606286306	/nfs/dbraw/zinc/28/63/06/606286306.db2.gz	XMGOTPSJIBOZBB-RNFRBKRXSA-N	-1	0	284.283	0.446	20	30		CCEDRM
C#CCCS(=O)(=O)[N-]C(=O)COc1ccccc1OC	ZINC000810786497	613052945	/nfs/dbraw/zinc/05/29/45/613052945.db2.gz	LEGXSUGNJHRGDN-UHFFFAOYSA-N	-1	0	297.332	0.543	20	30		CCEDRM
C#CCCS(=O)(=O)[N-]C(=O)C[C@@H]1CC[C@@H]2C[C@@H]21	ZINC000835371739	613052956	/nfs/dbraw/zinc/05/29/56/613052956.db2.gz	LGAYQQUBNNXEDI-VWYCJHECSA-N	-1	0	255.339	0.892	20	30		CCEDRM
C#CCCS(=O)(=O)[N-]C(=O)CCc1cncs1	ZINC000816056208	613052711	/nfs/dbraw/zinc/05/27/11/613052711.db2.gz	JJJYGJAOYVGIQT-UHFFFAOYSA-N	-1	0	272.351	0.545	20	30		CCEDRM
C#CCCS(=O)(=O)[N-]C(=O)CC[C@H]1CC[C@@H](C)O1	ZINC000810781331	613052717	/nfs/dbraw/zinc/05/27/17/613052717.db2.gz	OQJXUBYEHDEYDQ-GHMZBOCLSA-N	-1	0	273.354	0.803	20	30		CCEDRM
C#CCCS(=O)(=O)[N-]C(=O)CC[C@@H](C)SC	ZINC000810782296	613052718	/nfs/dbraw/zinc/05/27/18/613052718.db2.gz	LFYDUHABTONPQF-SECBINFHSA-N	-1	0	263.384	0.987	20	30		CCEDRM
C#CCCS(=O)(=O)[N-]C(=O)[C@H](C)OCCCC	ZINC000810782722	613053462	/nfs/dbraw/zinc/05/34/62/613053462.db2.gz	TXNJMUGFALLPLY-JTQLQIEISA-N	-1	0	261.343	0.661	20	30		CCEDRM
C#CCCS(=O)(=O)[N-]C(=O)c1cc(Cl)n(C)n1	ZINC000835371142	613053510	/nfs/dbraw/zinc/05/35/10/613053510.db2.gz	FUOARMIZHRURMU-UHFFFAOYSA-N	-1	0	275.717	0.156	20	30		CCEDRM
N#Cc1c(-c2nnn[n-]2)nc(N)n1C/C(Cl)=C/Cl	ZINC000822814572	606867095	/nfs/dbraw/zinc/86/70/95/606867095.db2.gz	JKSSEGATBQNFHR-RJRFIUFISA-N	-1	0	285.098	0.836	20	30		CCEDRM
C#CC[C@H](NC(=O)CNC(=O)CCC(C)C)C(=O)[O-]	ZINC000910054918	613067816	/nfs/dbraw/zinc/06/78/16/613067816.db2.gz	UQHYNYHQKRICHF-JTQLQIEISA-N	-1	0	268.313	0.132	20	30		CCEDRM
C#CC[C@H](NC(=O)[C@@H](C)OC[C@H]1CCCCO1)C(=O)[O-]	ZINC000910052928	613068554	/nfs/dbraw/zinc/06/85/54/613068554.db2.gz	KLWSGPIVYBGBIV-UTUOFQBUSA-N	-1	0	283.324	0.553	20	30		CCEDRM
Cc1noc(C)c1CCn1c(N)nc(-c2nnn[n-]2)c1C#N	ZINC000826339028	607893260	/nfs/dbraw/zinc/89/32/60/607893260.db2.gz	OTCVUEUHOUOIIQ-UHFFFAOYSA-N	-1	0	299.298	0.365	20	30		CCEDRM
C#CCN(CC#CC)C(=O)NCCN(CC)C(=O)[O-]	ZINC000823451201	613099736	/nfs/dbraw/zinc/09/97/36/613099736.db2.gz	QAQNHFWQBZLKEU-UHFFFAOYSA-N	-1	0	265.313	0.654	20	30		CCEDRM
C=CCCS(=O)(=O)NCCN(CC)C(=O)[O-]	ZINC000823501478	613581025	/nfs/dbraw/zinc/58/10/25/613581025.db2.gz	XOAFSXHUDZGLKL-UHFFFAOYSA-N	-1	0	250.320	0.482	20	30		CCEDRM
C=CCOCC(=O)N1CC[C@@H](OC)C[C@@H]1C(=O)[O-]	ZINC000833375962	613879127	/nfs/dbraw/zinc/87/91/27/613879127.db2.gz	PMHUDTRSVFLMFM-NXEZZACHSA-N	-1	0	257.286	0.280	20	30		CCEDRM
CC(C)OCC(=O)N1CCN(C(=O)[O-])C[C@@H]1C#N	ZINC000824393038	614006399	/nfs/dbraw/zinc/00/63/99/614006399.db2.gz	FSEJAAAGHKOXEI-VIFPVBQESA-N	-1	0	255.274	0.126	20	30		CCEDRM
CC(C)OCCO[N-]C(=O)[C@@]1(C#N)CCCOC1	ZINC000868493953	614021016	/nfs/dbraw/zinc/02/10/16/614021016.db2.gz	ZRQHQKVZBZPLGV-GFCCVEGCSA-N	-1	0	256.302	0.780	20	30		CCEDRM
CC(C)[C@@H](C#N)NC(=O)[C@@]1(F)CCN(C(=O)[O-])C1	ZINC000824058404	614072247	/nfs/dbraw/zinc/07/22/47/614072247.db2.gz	ZXNYONJFOKAFGJ-LDYMZIIASA-N	-1	0	257.265	0.743	20	30		CCEDRM
CC(C)(CNS(=O)(=O)c1cccc(C#N)c1)NC(=O)[O-]	ZINC000824011366	614113137	/nfs/dbraw/zinc/11/31/37/614113137.db2.gz	JDRCGTDTATURHV-UHFFFAOYSA-N	-1	0	297.336	0.883	20	30		CCEDRM
CC(C)CS(=O)(=O)[N-]C(=O)Cc1ccc(C#N)nc1	ZINC000860514383	614178061	/nfs/dbraw/zinc/17/80/61/614178061.db2.gz	XWAMPWOXMRHYIN-UHFFFAOYSA-N	-1	0	281.337	0.598	20	30		CCEDRM
CC(C)N(C)S(=O)(=O)[N-]c1nn(C)cc1C#N	ZINC000134978951	614272296	/nfs/dbraw/zinc/27/22/96/614272296.db2.gz	IJVLRDWLJWXOTB-UHFFFAOYSA-N	-1	0	257.319	0.289	20	30		CCEDRM
CC(C)[N@H+](C)CC(=O)N1CCN(C(=O)[O-])C[C@@H]1C#N	ZINC000824330116	614252692	/nfs/dbraw/zinc/25/26/92/614252692.db2.gz	RYXSPBHLRFZIAO-JTQLQIEISA-N	-1	0	268.317	0.041	20	30		CCEDRM
COc1ccc(C(=O)[O-])cc1C=NNC[C@H](C)O	ZINC000901247695	617235303	/nfs/dbraw/zinc/23/53/03/617235303.db2.gz	KPLUHVQXCJYNNZ-QMMMGPOBSA-N	-1	0	252.270	0.698	20	30		CCEDRM
COc1ccc(C(=O)[N-]S(=O)(=O)CCCC#N)o1	ZINC000847675050	617231048	/nfs/dbraw/zinc/23/10/48/617231048.db2.gz	OXRFNPYNGNYOEG-UHFFFAOYSA-N	-1	0	272.282	0.652	20	30		CCEDRM
COc1ccc(C=NN(C)C[C@H](C)O)c(OCC(=O)[O-])c1	ZINC000841649704	617238289	/nfs/dbraw/zinc/23/82/89/617238289.db2.gz	AGYPMXDLVJCBOV-JTQLQIEISA-N	-1	0	296.323	0.805	20	30		CCEDRM
COc1ccc(C=Nn2c(=O)[n-][nH]c2=O)cc1O	ZINC000814233699	617238634	/nfs/dbraw/zinc/23/86/34/617238634.db2.gz	CSWOVSCDSKEQOH-UHFFFAOYSA-N	-1	0	250.214	0.286	20	30		CCEDRM
COc1ccc(Cn2cnc(-c3nnn[n-]3)n2)cc1C#N	ZINC000826208558	617263679	/nfs/dbraw/zinc/26/36/79/617263679.db2.gz	PYAMQBWIYRHYGB-UHFFFAOYSA-N	-1	0	282.267	0.387	20	30		CCEDRM
CS[C@H](C)CC(=O)Nc1nc(C#N)c(-c2nn[nH]n2)[n-]1	ZINC000826224706	617275640	/nfs/dbraw/zinc/27/56/40/617275640.db2.gz	KKGRYAWPARDRLX-RXMQYKEDSA-N	-1	0	292.328	0.542	20	30		CCEDRM
C#CCCCCCC(=O)Nc1nc(C#N)c(-c2nn[nH]n2)[n-]1	ZINC000823840667	612976207	/nfs/dbraw/zinc/97/62/07/612976207.db2.gz	AYYMCXXTRYNQDS-UHFFFAOYSA-N	-1	0	298.310	0.984	20	30		CCEDRM
C#CCCCCNC(=O)C(=O)NC[C@H](CC(C)C)C(=O)[O-]	ZINC000818657657	612977266	/nfs/dbraw/zinc/97/72/66/612977266.db2.gz	XFTIDIRZQYXIIE-LBPRGKRZSA-N	-1	0	296.367	0.769	20	30		CCEDRM
C#CCCCNC(=O)C(=O)NCCC(C)(C)C(=O)[O-]	ZINC000818657508	612979890	/nfs/dbraw/zinc/97/98/90/612979890.db2.gz	VGGBRSHYOAYNNX-UHFFFAOYSA-N	-1	0	268.313	0.133	20	30		CCEDRM
C#CCOCCNC(=O)Cc1cc(=O)n(CC(C)C)[n-]1	ZINC000935356334	612985615	/nfs/dbraw/zinc/98/56/15/612985615.db2.gz	DMUIINSDIQOFHY-UHFFFAOYSA-N	-1	0	279.340	0.141	20	30		CCEDRM
C#CCO[N-]C(=O)COCCNC(=O)c1ccccc1	ZINC000812784448	612992216	/nfs/dbraw/zinc/99/22/16/612992216.db2.gz	OQUUGGRZBHQGDU-UHFFFAOYSA-N	-1	0	276.292	0.114	20	30		CCEDRM
C#CCO[N-]C(=O)[C@H]1CC(C(=O)OC(C)(C)C)=NO1	ZINC000855606391	612992915	/nfs/dbraw/zinc/99/29/15/612992915.db2.gz	GVSHTWSYZRZFQO-SECBINFHSA-N	-1	0	268.269	0.154	20	30		CCEDRM
C#CCO[N-]C(=O)[C@H](C[C@H]1COCCO1)C(F)(F)F	ZINC000855605892	612993013	/nfs/dbraw/zinc/99/30/13/612993013.db2.gz	BFRNGFZYKUZZJO-IUCAKERBSA-N	-1	0	281.230	0.651	20	30		CCEDRM
C#CCO[N-]C(=O)[C@]1(C(=O)OC(C)(C)C)CCCO1	ZINC000912450101	612993197	/nfs/dbraw/zinc/99/31/97/612993197.db2.gz	GZDRKUQQZXRXKB-ZDUSSCGKSA-N	-1	0	269.297	0.558	20	30		CCEDRM
C#CCO[C@@H](C)C(=O)N(CCC(=O)[O-])Cc1cccnc1	ZINC000911272567	612993994	/nfs/dbraw/zinc/99/39/94/612993994.db2.gz	WRQRGTQPABSHSG-LBPRGKRZSA-N	-1	0	290.319	0.923	20	30		CCEDRM
C#CCO[C@@H](C)C(=O)N(CC(=O)[O-])Cc1ccccc1O	ZINC000911487064	612994060	/nfs/dbraw/zinc/99/40/60/612994060.db2.gz	AYHUCHJGSDIIIQ-NSHDSACASA-N	-1	0	291.303	0.844	20	30		CCEDRM
C#CCO[C@@H](C)C(=O)N1CCC[C@@H](c2n[nH]c(=O)[n-]2)C1	ZINC000843876880	612994477	/nfs/dbraw/zinc/99/44/77/612994477.db2.gz	ASCMJCBHOFEXDP-VHSXEESVSA-N	-1	0	278.312	0.255	20	30		CCEDRM
C#CCO[C@@H](C)C(=O)[N-]S(=O)(=O)c1cn(CC)c(C)n1	ZINC000835264475	612997137	/nfs/dbraw/zinc/99/71/37/612997137.db2.gz	INMVHGPFFFGADF-VIFPVBQESA-N	-1	0	299.352	0.055	20	30		CCEDRM
C#CCO[C@H](C)C(=O)N(C)[C@@H](CC(C)C)C(=O)[O-]	ZINC000909855759	612998961	/nfs/dbraw/zinc/99/89/61/612998961.db2.gz	TUJLGFIBGWXPSE-MNOVXSKESA-N	-1	0	255.314	0.982	20	30		CCEDRM
C#CCO[C@H](C)C(=O)N1CCC[C@H](c2n[nH]c(=O)[n-]2)C1	ZINC000843876881	612999675	/nfs/dbraw/zinc/99/96/75/612999675.db2.gz	ASCMJCBHOFEXDP-ZJUUUORDSA-N	-1	0	278.312	0.255	20	30		CCEDRM
C#CCO[C@H](C)C(=O)NC[C@@]1(C(=O)[O-])CCCOC1	ZINC000910306844	613001659	/nfs/dbraw/zinc/00/16/59/613001659.db2.gz	KFBGRIMDQKVSPD-MFKMUULPSA-N	-1	0	269.297	0.022	20	30		CCEDRM
C#CCO[C@H](C)C(=O)[N-]S(=O)(=O)C1(C(F)F)CC1	ZINC000861160745	613002132	/nfs/dbraw/zinc/00/21/32/613002132.db2.gz	RVTCYRJTABWTLB-SSDOTTSWSA-N	-1	0	281.280	0.268	20	30		CCEDRM
C#CCO[C@H](C)C(=O)N[C@@H](CC1CCOCC1)C(=O)[O-]	ZINC000910453456	613002316	/nfs/dbraw/zinc/00/23/16/613002316.db2.gz	NJHYILBUWCLIFF-PWSUYJOCSA-N	-1	0	283.324	0.411	20	30		CCEDRM
C#CCOc1ccccc1CNC(=O)CCc1nnn[n-]1	ZINC000865887558	613007672	/nfs/dbraw/zinc/00/76/72/613007672.db2.gz	RNJVJHQHVAOEMR-UHFFFAOYSA-N	-1	0	285.307	0.461	20	30		CCEDRM
C#CCCN1CCN(C(=O)CC2CN(C(=O)[O-])C2)CC1	ZINC000823445359	613008869	/nfs/dbraw/zinc/00/88/69/613008869.db2.gz	YDWSRFBRCHCTQH-UHFFFAOYSA-N	-1	0	279.340	0.154	20	30		CCEDRM
C#CCCN1CCN(C(=O)[C@@H](C)CC(=O)[O-])CC1	ZINC000825608936	613009713	/nfs/dbraw/zinc/00/97/13/613009713.db2.gz	OBQZRHPNTVSQKA-NSHDSACASA-N	-1	0	252.314	0.265	20	30		CCEDRM
C#CC[C@@H](NC(=O)C1(C#N)CCSCC1)C(=O)[O-]	ZINC000907719901	613039539	/nfs/dbraw/zinc/03/95/39/613039539.db2.gz	WLUFLDZJAIBKGO-SECBINFHSA-N	-1	0	266.322	0.616	20	30		CCEDRM
C#CC[C@@H](NC(=O)c1cnn(C)c1C1CC1)C(=O)[O-]	ZINC000910054133	613042195	/nfs/dbraw/zinc/04/21/95/613042195.db2.gz	LPUXUTIQHJRZHB-SNVBAGLBSA-N	-1	0	261.281	0.504	20	30		CCEDRM
C#CC[C@@H]1CCCN(C(=O)CSc2n[nH]c(=O)[n-]2)C1	ZINC000844004504	613044218	/nfs/dbraw/zinc/04/42/18/613044218.db2.gz	CCZFZVMIFZSTAA-SECBINFHSA-N	-1	0	280.353	0.864	20	30		CCEDRM
C#CC[C@@H]1CCCN(C(=O)c2cc(C(=O)[O-])nn2C)C1	ZINC000864157214	613044689	/nfs/dbraw/zinc/04/46/89/613044689.db2.gz	WXXXZGZDUSYCQN-SNVBAGLBSA-N	-1	0	275.308	0.994	20	30		CCEDRM
C#CCCNC(=O)N1CCC(OCCCNC(=O)[O-])CC1	ZINC000823445033	613047083	/nfs/dbraw/zinc/04/70/83/613047083.db2.gz	UWEULUBYRNFFGC-UHFFFAOYSA-N	-1	0	297.355	0.858	20	30		CCEDRM
C#CCCNC(=O)N1C[C@H](CNC(=O)[O-])C[C@H]1C	ZINC000833787172	613047385	/nfs/dbraw/zinc/04/73/85/613047385.db2.gz	IADGEIYDSCTFRK-ZJUUUORDSA-N	-1	0	253.302	0.697	20	30		CCEDRM
C#CCCNS(=O)(=O)c1nc[nH]c1Br	ZINC000866785137	613048096	/nfs/dbraw/zinc/04/80/96/613048096.db2.gz	QLUXXHMJMMRIJX-UHFFFAOYSA-N	-1	0	278.131	0.474	20	30		CCEDRM
C#CCCS(=O)(=O)[N-]C(=O)[C@H](C)C(C)(F)F	ZINC000816056186	613053129	/nfs/dbraw/zinc/05/31/29/613053129.db2.gz	IIGJQAWWCWTWGA-ZETCQYMHSA-N	-1	0	253.270	0.747	20	30		CCEDRM
C#CCCS(=O)(=O)[N-]C(=O)[C@@H]1CCOC[C@@H]1C	ZINC000810780085	613053261	/nfs/dbraw/zinc/05/32/61/613053261.db2.gz	MPDIYFLWXJQBMD-VHSXEESVSA-N	-1	0	259.327	0.128	20	30		CCEDRM
C#CCCS(=O)(=O)[N-]C(=O)c1ccc([S@@](C)=O)cc1	ZINC000810782588	613053629	/nfs/dbraw/zinc/05/36/29/613053629.db2.gz	SZFBXZMWBKSMFI-GOSISDBHSA-N	-1	0	299.373	0.507	20	30		CCEDRM
C#CCCS(=O)(=O)[N-]C(=O)c1cc(C)c(C)o1	ZINC000810782224	613053672	/nfs/dbraw/zinc/05/36/72/613053672.db2.gz	IOCRHNTXBLRBGU-UHFFFAOYSA-N	-1	0	255.295	0.979	20	30		CCEDRM
C#CC[C@H](NC(=O)[C@@H](C)c1c(C)noc1C)C(=O)[O-]	ZINC000910054965	613068575	/nfs/dbraw/zinc/06/85/75/613068575.db2.gz	VCGJVVZHANALGU-XVKPBYJWSA-N	-1	0	264.281	0.988	20	30		CCEDRM
C#CC[C@H](NC(=O)[C@H](OC)c1ccc(O)cc1)C(=O)[O-]	ZINC000910051403	613069523	/nfs/dbraw/zinc/06/95/23/613069523.db2.gz	ULAWSEXVKSXCHB-NWDGAFQWSA-N	-1	0	277.276	0.672	20	30		CCEDRM
C#CC[C@H](NC(=O)[C@H]1CCc2cccnc21)C(=O)[O-]	ZINC000910048986	613069663	/nfs/dbraw/zinc/06/96/63/613069663.db2.gz	QLCXYZRPJNIEHA-QWRGUYRKSA-N	-1	0	258.277	0.704	20	30		CCEDRM
C#CC[C@H](NC(=O)[C@H]1COc2cc(F)ccc2C1)C(=O)[O-]	ZINC000910048348	613069747	/nfs/dbraw/zinc/06/97/47/613069747.db2.gz	JHBZWIDGPXOLMP-PWSUYJOCSA-N	-1	0	291.278	0.970	20	30		CCEDRM
C#CC[C@H](NC(=O)c1cn(C)nc1C(F)(F)F)C(=O)[O-]	ZINC000910053017	613070347	/nfs/dbraw/zinc/07/03/47/613070347.db2.gz	MPPXCEAZPWMPJJ-ZETCQYMHSA-N	-1	0	289.213	0.645	20	30		CCEDRM
C#CC[C@H](NC(=O)c1cn(C(C)(C)C)nn1)C(=O)[O-]	ZINC000910051058	613070445	/nfs/dbraw/zinc/07/04/45/613070445.db2.gz	RHNRHTYSIFSWPZ-QMMMGPOBSA-N	-1	0	264.285	0.239	20	30		CCEDRM
C#CC[C@H](NC(=O)c1cnc(NC2CC2)s1)C(=O)[O-]	ZINC000910050590	613070570	/nfs/dbraw/zinc/07/05/70/613070570.db2.gz	LOYNGINOPZHQGW-QMMMGPOBSA-N	-1	0	279.321	0.924	20	30		CCEDRM
C#CC[C@H](NC(=O)c1cncc(OCCOC)c1)C(=O)[O-]	ZINC000910050602	613070651	/nfs/dbraw/zinc/07/06/51/613070651.db2.gz	LTUXWVFQOGRNGU-LBPRGKRZSA-N	-1	0	292.291	0.313	20	30		CCEDRM
C#C[C@@H](CO)NC(=O)c1ccccc1CCC(=O)[O-]	ZINC000911611440	613089851	/nfs/dbraw/zinc/08/98/51/613089851.db2.gz	LELFRFKFHJRNTN-NSHDSACASA-N	-1	0	261.277	0.428	20	30		CCEDRM
C#CCN(CC#C)C(=O)CN(C[C@@H]1CCCO1)C(=O)[O-]	ZINC000823451299	613098576	/nfs/dbraw/zinc/09/85/76/613098576.db2.gz	RXPWPLQJYCBFMF-LBPRGKRZSA-N	-1	0	278.308	0.240	20	30		CCEDRM
C#CCN(CC#C)C(=O)CO[C@H]1CCCN(C(=O)[O-])C1	ZINC000823451215	613098680	/nfs/dbraw/zinc/09/86/80/613098680.db2.gz	QIRUOJRWFFBTMU-LBPRGKRZSA-N	-1	0	278.308	0.240	20	30		CCEDRM
C#CCN(CC#CC)C(=O)CC[C@@H]1C[C@H](C(=O)[O-])CO1	ZINC000872708874	613099520	/nfs/dbraw/zinc/09/95/20/613099520.db2.gz	DWZARDUTNDJKLQ-QWHCGFSZSA-N	-1	0	277.320	0.741	20	30		CCEDRM
C#CCN(CC(=O)[O-])S(=O)(=O)CC(CC)CC	ZINC000849218905	613103586	/nfs/dbraw/zinc/10/35/86/613103586.db2.gz	BIVOJKOXALRWFO-UHFFFAOYSA-N	-1	0	261.343	0.772	20	30		CCEDRM
C#C[C@H](C)OC(=O)CN(C[C@@H]1CCCO1)C(=O)[O-]	ZINC000823441044	613119345	/nfs/dbraw/zinc/11/93/45/613119345.db2.gz	QYRFARDIKGVHMN-UWVGGRQHSA-N	-1	0	255.270	0.710	20	30		CCEDRM
C#C[C@H](NC(=O)c1cc(C(=O)[O-])cnc1C)[C@@H]1CCCO1	ZINC000911577612	613148407	/nfs/dbraw/zinc/14/84/07/613148407.db2.gz	DACKLLYLABFFJJ-STQMWFEESA-N	-1	0	288.303	0.999	20	30		CCEDRM
C#C[C@H]1COCCN1S(=O)(=O)c1cc(C(=O)[O-])oc1C	ZINC000871973517	613163326	/nfs/dbraw/zinc/16/33/26/613163326.db2.gz	YSUOCRNMBQXKQI-VIFPVBQESA-N	-1	0	299.304	0.309	20	30		CCEDRM
C#Cc1ccc(C(=O)N2CCO[C@H](CC(=O)[O-])C2)cc1	ZINC000909264600	613171068	/nfs/dbraw/zinc/17/10/68/613171068.db2.gz	HZFQMNQMFIALSW-CYBMUJFWSA-N	-1	0	273.288	0.984	20	30		CCEDRM
C#Cc1ccc(C(=O)N2CCO[C@@H](CC(=O)[O-])C2)cc1	ZINC000909264601	613171166	/nfs/dbraw/zinc/17/11/66/613171166.db2.gz	HZFQMNQMFIALSW-ZDUSSCGKSA-N	-1	0	273.288	0.984	20	30		CCEDRM
C#Cc1ccc(C(=O)N2C[C@H](C(=O)[O-])[C@H](C)C2)cn1	ZINC000825636329	613174738	/nfs/dbraw/zinc/17/47/38/613174738.db2.gz	HRKHPQIPEQEREK-SKDRFNHKSA-N	-1	0	258.277	0.856	20	30		CCEDRM
C#Cc1ccc(C(=O)N[C@@](C)(COC)C(=O)[O-])nc1	ZINC000825636828	613187996	/nfs/dbraw/zinc/18/79/96/613187996.db2.gz	UZBWJAOAMHBNNB-ZDUSSCGKSA-N	-1	0	262.265	0.282	20	30		CCEDRM
C#Cc1ccc(C(=O)N[C@]2(C(=O)[O-])CCOC2)cn1	ZINC000825636143	613192831	/nfs/dbraw/zinc/19/28/31/613192831.db2.gz	DASLRSUIWBWQSX-CYBMUJFWSA-N	-1	0	260.249	0.036	20	30		CCEDRM
C=C(C)C(C)(C)C(=O)N1CC(n2cc(C(=O)[O-])nn2)C1	ZINC000909504675	613239774	/nfs/dbraw/zinc/23/97/74/613239774.db2.gz	CUHUUEHWILRSHJ-UHFFFAOYSA-N	-1	0	278.312	0.962	20	30		CCEDRM
C/C(=C\c1cccnc1)C(=O)[N-]S(=O)(=O)CCC#N	ZINC000847707291	613264891	/nfs/dbraw/zinc/26/48/91/613264891.db2.gz	HOIMVTOIXCWDCX-CSKARUKUSA-N	-1	0	279.321	0.845	20	30		CCEDRM
C#CCNC(=O)CN1C[C@@H](CC(=O)[O-])c2ccccc21	ZINC000148090897	613330320	/nfs/dbraw/zinc/33/03/20/613330320.db2.gz	SFARIMOCDHUAME-LLVKDONJSA-N	-1	0	272.304	0.814	20	30		CCEDRM
C=C(C)CO[N-]C(=O)C(=O)Nc1cncnc1N(C)C	ZINC000846147258	613352370	/nfs/dbraw/zinc/35/23/70/613352370.db2.gz	UDFGGRNYEXYCRA-UHFFFAOYSA-N	-1	0	279.300	0.105	20	30		CCEDRM
C=C(C)CO[N-]C(=O)C(=O)Nc1cnn(C)c1C1CC1	ZINC000846146793	613352371	/nfs/dbraw/zinc/35/23/71/613352371.db2.gz	PWFGXWBTVGLUST-UHFFFAOYSA-N	-1	0	278.312	0.860	20	30		CCEDRM
C=C(C)CO[N-]C(=O)C1(N2CCOCC2)CCC1	ZINC000846535645	613352405	/nfs/dbraw/zinc/35/24/05/613352405.db2.gz	IDEHFVTZBBHZDD-UHFFFAOYSA-N	-1	0	254.330	0.865	20	30		CCEDRM
C=C(C)CO[N-]C(=O)[C@](C)(O)Cn1ccc(C)cc1=O	ZINC000846535107	613353935	/nfs/dbraw/zinc/35/39/35/613353935.db2.gz	PVRDVUGLMVPMKZ-CQSZACIVSA-N	-1	0	280.324	0.532	20	30		CCEDRM
C=C(C)C[C@@H](NC(=O)CCc1cn[nH]c1)C(=O)[O-]	ZINC000910293132	613355721	/nfs/dbraw/zinc/35/57/21/613355721.db2.gz	UTSKKFYJDDDGEH-SNVBAGLBSA-N	-1	0	251.286	0.878	20	30		CCEDRM
C=C(C)C[C@@H](NC(=O)c1cc2n(n1)CCC2)C(=O)[O-]	ZINC000910293216	613356141	/nfs/dbraw/zinc/35/61/41/613356141.db2.gz	VXFNCJHIFRRTFU-LLVKDONJSA-N	-1	0	263.297	0.979	20	30		CCEDRM
C=C(C)C[C@H](NC(=O)CSCC(=O)[O-])C(=O)OC	ZINC000902321847	613358662	/nfs/dbraw/zinc/35/86/62/613358662.db2.gz	MTOFJWWQPKQCEF-QMMMGPOBSA-N	-1	0	275.326	0.428	20	30		CCEDRM
C=C(C)C[C@H](NC(=O)Cc1cn(CC)nn1)C(=O)[O-]	ZINC000907742685	613358703	/nfs/dbraw/zinc/35/87/03/613358703.db2.gz	ASZUAQQWIPDHBJ-JTQLQIEISA-N	-1	0	266.301	0.376	20	30		CCEDRM
C=C(C)C[C@H](NC(=O)N[C@@H]1CO[C@H](C)C1)C(=O)[O-]	ZINC000909037213	613358771	/nfs/dbraw/zinc/35/87/71/613358771.db2.gz	DIMZABJKMSRGFL-UTLUCORTSA-N	-1	0	256.302	0.882	20	30		CCEDRM
C=C(C)C[C@H](NC(=O)Cn1nnc2c1CCCC2)C(=O)[O-]	ZINC000910293697	613358802	/nfs/dbraw/zinc/35/88/02/613358802.db2.gz	KNGNYRJHPKRUPV-NSHDSACASA-N	-1	0	292.339	0.693	20	30		CCEDRM
C=C(C)C[C@H](NC(=O)[C@H](C)N1CCSCC1)C(=O)[O-]	ZINC000910292741	613358895	/nfs/dbraw/zinc/35/88/95/613358895.db2.gz	IBKWNOBXQBYFHO-QWRGUYRKSA-N	-1	0	286.397	0.959	20	30		CCEDRM
C=C(C)C[C@H](NC(C)=O)C(=O)[N-]OCCCC(=O)OC	ZINC000888817927	613359399	/nfs/dbraw/zinc/35/93/99/613359399.db2.gz	MLKZELFVXLUDDI-NSHDSACASA-N	-1	0	286.328	0.458	20	30		CCEDRM
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CC([C@H](F)C(=O)[O-])C1	ZINC000910126134	613360978	/nfs/dbraw/zinc/36/09/78/613360978.db2.gz	VKJHELXNQGVABB-DCAQKATOSA-N	-1	0	271.288	0.849	20	30		CCEDRM
C=C(Cl)C[C@@H](NC(=O)NC[C@H](C)OC)C(=O)[O-]	ZINC000864527818	613388647	/nfs/dbraw/zinc/38/86/47/613388647.db2.gz	GXQLLLQBUVVZKQ-JGVFFNPUSA-N	-1	0	264.709	0.916	20	30		CCEDRM
C=C(Cl)C[C@H](NS(=O)(=O)C[C@H](C)OC)C(=O)[O-]	ZINC000871996697	613390929	/nfs/dbraw/zinc/39/09/29/613390929.db2.gz	SOWNXKXPAZZZRK-YUMQZZPRSA-N	-1	0	285.749	0.537	20	30		CCEDRM
C=CCSCCNC(=O)C[C@@H]1CN(C(=O)[O-])CCO1	ZINC000823516620	613395399	/nfs/dbraw/zinc/39/53/99/613395399.db2.gz	QBRKNEFJSPDLAV-SNVBAGLBSA-N	-1	0	288.369	0.791	20	30		CCEDRM
C=CC[C@@H](CO)CNS(=O)(=O)c1ccc(C(=O)[O-])o1	ZINC000833370108	613403244	/nfs/dbraw/zinc/40/32/44/613403244.db2.gz	IDXASHDPUHIFRR-MRVPVSSYSA-N	-1	0	289.309	0.441	20	30		CCEDRM
C=CCn1cc(C(=O)N[C@H]2CC=C(C(=O)[O-])C2)nn1	ZINC000864166343	613431051	/nfs/dbraw/zinc/43/10/51/613431051.db2.gz	NRIVHTXQAFVWJT-VIFPVBQESA-N	-1	0	262.269	0.367	20	30		CCEDRM
C=CCn1nnn(CN2CC[C@@](C)(C(=O)[O-])C2)c1=S	ZINC000825710763	613439273	/nfs/dbraw/zinc/43/92/73/613439273.db2.gz	ACJRTDBXDVBRFJ-LLVKDONJSA-N	-1	0	283.357	0.749	20	30		CCEDRM
C=CCn1nnn(CN2C[C@@H](C)[C@H](C(=O)[O-])C2)c1=S	ZINC000825711073	613440093	/nfs/dbraw/zinc/44/00/93/613440093.db2.gz	NNPWROBPMCHDTO-RKDXNWHRSA-N	-1	0	283.357	0.605	20	30		CCEDRM
C=C[C@@H](C)O[N-]C(=O)C(=O)Nc1cnn(CC)c1C	ZINC000873934178	613443347	/nfs/dbraw/zinc/44/33/47/613443347.db2.gz	HXCMYDRBJBCCBK-MRVPVSSYSA-N	-1	0	266.301	0.772	20	30		CCEDRM
C=C[C@@H](C)O[N-]C(=O)[C@](C)(O)Cn1ccccc1=O	ZINC000846555977	613447285	/nfs/dbraw/zinc/44/72/85/613447285.db2.gz	WEFGXOZZBQBWOX-ZWNOBZJWSA-N	-1	0	266.297	0.222	20	30		CCEDRM
C=C[C@@H](CCC(=O)[O-])NS(=O)(=O)C[C@@H]1CCOC1	ZINC000871741769	613448897	/nfs/dbraw/zinc/44/88/97/613448897.db2.gz	DLOMRXKRPJUQPY-ZJUUUORDSA-N	-1	0	277.342	0.362	20	30		CCEDRM
C=CC1(S(=O)(=O)[N-]C(=O)CN(C)C(=O)C2CC2)CC1	ZINC000870834315	613450343	/nfs/dbraw/zinc/45/03/43/613450343.db2.gz	VHGDPTPIUJOOSS-UHFFFAOYSA-N	-1	0	286.353	0.019	20	30		CCEDRM
C=CC1(S(=O)(=O)[N-]C(=O)CCc2cncnc2)CC1	ZINC000870837782	613450463	/nfs/dbraw/zinc/45/04/63/613450463.db2.gz	BGMSKAXCXVLPKO-UHFFFAOYSA-N	-1	0	281.337	0.574	20	30		CCEDRM
C=CC1(S(=O)(=O)[N-]C(=O)C2(C(=O)OC)CC2)CC1	ZINC000870835691	613450484	/nfs/dbraw/zinc/45/04/84/613450484.db2.gz	JGZCZVYHAWQSOJ-UHFFFAOYSA-N	-1	0	273.310	0.104	20	30		CCEDRM
C=CC1(S(=O)(=O)[N-]C(=O)c2cn(C3CC3)nn2)CC1	ZINC000870839783	613452198	/nfs/dbraw/zinc/45/21/98/613452198.db2.gz	WKABUIWEZVXEAS-UHFFFAOYSA-N	-1	0	282.325	0.391	20	30		CCEDRM
C=CC1(S(=O)(=O)[N-]C(=O)c2cscn2)CC1	ZINC000870832687	613452221	/nfs/dbraw/zinc/45/22/21/613452221.db2.gz	OETHPDMFJYLIOJ-UHFFFAOYSA-N	-1	0	258.324	0.921	20	30		CCEDRM
C=CC1(S(=O)(=O)[N-]C(=O)c2cnn(CC)c2C)CC1	ZINC000870840563	613452310	/nfs/dbraw/zinc/45/23/10/613452310.db2.gz	WVRPFRQTPQWPPC-UHFFFAOYSA-N	-1	0	283.353	0.990	20	30		CCEDRM
C=CCC1(C(=O)N[C@H](C)C(=O)N[C@H](C)C(=O)[O-])CCC1	ZINC000910744330	613457123	/nfs/dbraw/zinc/45/71/23/613457123.db2.gz	XRVXWRDDGXSHSQ-NXEZZACHSA-N	-1	0	282.340	0.827	20	30		CCEDRM
C=CCC1(C(=O)[O-])CN(S(=O)(=O)[C@H]2CCO[C@@H]2C)C1	ZINC000906006896	613457146	/nfs/dbraw/zinc/45/71/46/613457146.db2.gz	LWUSURAGRDUSNM-ZJUUUORDSA-N	-1	0	289.353	0.456	20	30		CCEDRM
C=CCC1(S(=O)(=O)[N-]C(=O)[C@H]2C[C@@]23CCOC3)CC1	ZINC000810980235	613461237	/nfs/dbraw/zinc/46/12/37/613461237.db2.gz	SDXCPKBONAXQRB-ZYHUDNBSSA-N	-1	0	285.365	0.968	20	30		CCEDRM
C=CCC1(S(=O)(=O)[N-]C(=O)[C@H](COC)OC)CC1	ZINC000851032510	613461265	/nfs/dbraw/zinc/46/12/65/613461265.db2.gz	RWKSAYSBHXOLNI-VIFPVBQESA-N	-1	0	277.342	0.203	20	30		CCEDRM
C=CCC1(S(=O)(=O)[N-]C(=O)c2cc[n+]([O-])cc2)CC1	ZINC000842798473	613461417	/nfs/dbraw/zinc/46/14/17/613461417.db2.gz	CCYRSTSSWHQQIQ-UHFFFAOYSA-N	-1	0	282.321	0.488	20	30		CCEDRM
C=CCC1(S(=O)(=O)[N-]C(=O)[C@@H]2C[C@H](C)CO2)CC1	ZINC000893035334	613461445	/nfs/dbraw/zinc/46/14/45/613461445.db2.gz	YMIJWHXUYIWCAJ-UWVGGRQHSA-N	-1	0	273.354	0.966	20	30		CCEDRM
C=CCC1(S(=O)(=O)[N-]C(=O)c2coc(C(N)=O)c2)CC1	ZINC000810985852	613461467	/nfs/dbraw/zinc/46/14/67/613461467.db2.gz	JJYLQBOESXQXET-UHFFFAOYSA-N	-1	0	298.320	0.547	20	30		CCEDRM
C=CCCC(=O)N1CC[C@@H](C(=O)[O-])C[C@H]1C(=O)OC	ZINC000833373389	613462321	/nfs/dbraw/zinc/46/23/21/613462321.db2.gz	NCMNGFCXSCSMJS-ZJUUUORDSA-N	-1	0	269.297	0.817	20	30		CCEDRM
C=CCCC[C@@H](N)C(=O)[N-]S(=O)(=O)[C@@H]1CCCOC1	ZINC000901038359	613469984	/nfs/dbraw/zinc/46/99/84/613469984.db2.gz	FDAVNSNJJNDGHW-GHMZBOCLSA-N	-1	0	290.385	0.295	20	30		CCEDRM
C=CCCC[C@H](NC(=O)[C@@]1(C)C[C@@H](O)CN1C)C(=O)[O-]	ZINC000910927477	613473719	/nfs/dbraw/zinc/47/37/19/613473719.db2.gz	ZNTHZBVNYXXHHD-UHIISALHSA-N	-1	0	284.356	0.367	20	30		CCEDRM
C=C[C@@](C)(O)C(=O)N1CCC(n2cc(C(=O)[O-])cn2)CC1	ZINC000909834400	613477165	/nfs/dbraw/zinc/47/71/65/613477165.db2.gz	VDXVMPKVUWOJAH-CQSZACIVSA-N	-1	0	293.323	0.682	20	30		CCEDRM
C=C[C@H](C)NC(=O)c1cn(C2CCN(C(=O)[O-])CC2)nn1	ZINC000823490640	613482946	/nfs/dbraw/zinc/48/29/46/613482946.db2.gz	IKUAHEWSHNUCTA-VIFPVBQESA-N	-1	0	293.327	0.897	20	30		CCEDRM
C=C[C@H](C)O[N-]C(=O)C(=O)Nc1c(C)noc1C	ZINC000846153213	613483718	/nfs/dbraw/zinc/48/37/18/613483718.db2.gz	FYKRIOQJBURQAN-LURJTMIESA-N	-1	0	253.258	0.852	20	30		CCEDRM
C=C[C@H](C)O[N-]C(=O)C(=O)Nc1ccc(OC)nc1	ZINC000846152062	613483758	/nfs/dbraw/zinc/48/37/58/613483758.db2.gz	MRSUKODBYOQQPC-QMMMGPOBSA-N	-1	0	265.269	0.651	20	30		CCEDRM
C=C[C@H](C)O[N-]C(=O)Cn1cccc(C(=O)OC)c1=O	ZINC000824034112	613484600	/nfs/dbraw/zinc/48/46/00/613484600.db2.gz	XNLQNXVKJVZHIB-VIFPVBQESA-N	-1	0	280.280	0.257	20	30		CCEDRM
C=C[C@H](O)C(=O)N1CCC[C@H](C(C)(C)C(=O)[O-])C1	ZINC000909494939	613494149	/nfs/dbraw/zinc/49/41/49/613494149.db2.gz	IPHIJNVLAYHAJC-UWVGGRQHSA-N	-1	0	255.314	0.883	20	30		CCEDRM
C=C[C@H](O)C(=O)N[C@H](CC(=O)[O-])Cc1ccccc1	ZINC000908241908	613497587	/nfs/dbraw/zinc/49/75/87/613497587.db2.gz	ZXKPESZBWBDXDD-RYUDHWBXSA-N	-1	0	263.293	0.736	20	30		CCEDRM
C=C[C@](C)(CC)C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)[O-]	ZINC000910282674	613505506	/nfs/dbraw/zinc/50/55/06/613505506.db2.gz	RCYZRFPXVBUXNV-MWODSPESSA-N	-1	0	270.329	0.683	20	30		CCEDRM
C=C[C@](C)(O)C(=O)NC[C@@H](Cc1ccccc1)C(=O)[O-]	ZINC000909182875	613507719	/nfs/dbraw/zinc/50/77/19/613507719.db2.gz	OOPMALKHPDKHFU-DOMZBBRYSA-N	-1	0	277.320	0.983	20	30		CCEDRM
CC#CCCNC(=O)N[C@H](C(=O)[O-])[C@H]1CCCOC1	ZINC000909031439	613522225	/nfs/dbraw/zinc/52/22/25/613522225.db2.gz	IUFGWTSWQHAHQY-QWRGUYRKSA-N	-1	0	268.313	0.579	20	30		CCEDRM
C=CCCO[C@H](C)C(=O)N1CC([C@@H](F)C(=O)[O-])C1	ZINC000910135591	613578867	/nfs/dbraw/zinc/57/88/67/613578867.db2.gz	VLLDLUCTNQVTGY-PSASIEDQSA-N	-1	0	259.277	0.849	20	30		CCEDRM
C=CCCS(=O)(=O)N1CCC[C@@H](CNC(=O)[O-])C1	ZINC000823501595	613580669	/nfs/dbraw/zinc/58/06/69/613580669.db2.gz	ZSPUNAQLDWCBGD-JTQLQIEISA-N	-1	0	276.358	0.872	20	30		CCEDRM
C=CCCNC(=O)N[C@H](C[C@H]1CCCO1)C(=O)[O-]	ZINC000905543685	613569166	/nfs/dbraw/zinc/56/91/66/613569166.db2.gz	MQUIHLAFFCXCDK-NXEZZACHSA-N	-1	0	256.302	0.884	20	30		CCEDRM
C=CCCOCC(=O)N1CCC[C@H](O)[C@@H]1C(=O)[O-]	ZINC000911638405	613571365	/nfs/dbraw/zinc/57/13/65/613571365.db2.gz	KSPIACFVEWZOTB-GXSJLCMTSA-N	-1	0	257.286	0.016	20	30		CCEDRM
C=CCCOCC(=O)N1Cc2cc(C(=O)[O-])nn2C[C@H]1C	ZINC000908432328	613572245	/nfs/dbraw/zinc/57/22/45/613572245.db2.gz	QUIRYDWRJLUZNH-SNVBAGLBSA-N	-1	0	293.323	0.905	20	30		CCEDRM
C=CCCOCC(=O)[N-]S(=O)(=O)C1(C=C)CC1	ZINC000870833875	613572773	/nfs/dbraw/zinc/57/27/73/613572773.db2.gz	ZSASGAWQOGUVBN-UHFFFAOYSA-N	-1	0	259.327	0.744	20	30		CCEDRM
C=CCCO[N-]C(=O)C1(S(C)(=O)=O)CCCC1	ZINC000856031061	613576212	/nfs/dbraw/zinc/57/62/12/613576212.db2.gz	CYDJEEHDDUTVSP-UHFFFAOYSA-N	-1	0	261.343	0.968	20	30		CCEDRM
C=CCCO[N-]C(=O)C(C)(C)S(=O)(=O)C1CC1	ZINC000856034281	613576230	/nfs/dbraw/zinc/57/62/30/613576230.db2.gz	DBOKAXZNKLOHQT-UHFFFAOYSA-N	-1	0	261.343	0.966	20	30		CCEDRM
C=CCCO[N-]C(=O)COCc1ocnc1C(=O)OC	ZINC000862217667	613576705	/nfs/dbraw/zinc/57/67/05/613576705.db2.gz	NIUWMWNHCDGCBA-UHFFFAOYSA-N	-1	0	284.268	0.602	20	30		CCEDRM
C=CCCO[N-]C(=O)CNS(=O)(=O)c1ccc(C)cc1	ZINC000856028514	613576737	/nfs/dbraw/zinc/57/67/37/613576737.db2.gz	VRPYTICSMURFGZ-UHFFFAOYSA-N	-1	0	298.364	0.897	20	30		CCEDRM
C=CCCO[C@H](C)C(=O)[N-]S(=O)(=O)CC#CC	ZINC000810777513	613579634	/nfs/dbraw/zinc/57/96/34/613579634.db2.gz	DJYMNRURXNYKMJ-SNVBAGLBSA-N	-1	0	259.327	0.437	20	30		CCEDRM
C=CCCS(=O)(=O)NC[C@H]1CCCN1C(=O)[O-]	ZINC000823501423	613581563	/nfs/dbraw/zinc/58/15/63/613581563.db2.gz	XDNOBKMMEMHOOB-SECBINFHSA-N	-1	0	262.331	0.624	20	30		CCEDRM
C=CCC[C@@H](NC(=O)c1cn(C)nc1OC)C(=O)[O-]	ZINC000909716150	613585123	/nfs/dbraw/zinc/58/51/23/613585123.db2.gz	PWAZWUSFDYIBMY-SECBINFHSA-N	-1	0	267.285	0.578	20	30		CCEDRM
C=CCC[C@H](NC(=O)CCCn1cncn1)C(=O)[O-]	ZINC000909712076	613589383	/nfs/dbraw/zinc/58/93/83/613589383.db2.gz	GYCDPGWBMHGVKH-JTQLQIEISA-N	-1	0	266.301	0.594	20	30		CCEDRM
C=CCC[C@H](NC(=O)C1(CO)CCOCC1)C(=O)[O-]	ZINC000909712121	613589463	/nfs/dbraw/zinc/58/94/63/613589463.db2.gz	HWWJSFSBAMPPGT-JTQLQIEISA-N	-1	0	271.313	0.311	20	30		CCEDRM
C=CCCn1cc(C(=O)N2CCO[C@@](C)(C(=O)[O-])C2)nn1	ZINC000910328700	613593353	/nfs/dbraw/zinc/59/33/53/613593353.db2.gz	WETXHJANBSGZEH-CYBMUJFWSA-N	-1	0	294.311	0.170	20	30		CCEDRM
C=CCCn1cc(C(=O)[N-]S(=O)(=O)CCCF)nn1	ZINC000820172524	613595117	/nfs/dbraw/zinc/59/51/17/613595117.db2.gz	CCQLMHMNOYRYLX-UHFFFAOYSA-N	-1	0	290.320	0.273	20	30		CCEDRM
C=CCN(C(=O)C(=O)N1CC[C@H](C)[C@@H](C(=O)[O-])C1)C(C)C	ZINC000843055176	613602010	/nfs/dbraw/zinc/60/20/10/613602010.db2.gz	FXVCVFOLPYZUFH-RYUDHWBXSA-N	-1	0	296.367	0.979	20	30		CCEDRM
C=CCN(C(=O)C(=O)NC[C@H](CC)C(=O)[O-])C1CC1	ZINC000927955276	613603296	/nfs/dbraw/zinc/60/32/96/613603296.db2.gz	AOCBKVWMANOIOF-VIFPVBQESA-N	-1	0	268.313	0.390	20	30		CCEDRM
C=CCN(C(=O)c1cc(-c2nn[nH]n2)cn1C)C1CC1	ZINC000823903495	613607415	/nfs/dbraw/zinc/60/74/15/613607415.db2.gz	BVIKKNYMUDEKKD-UHFFFAOYSA-N	-1	0	272.312	0.996	20	30		CCEDRM
C=CCN(CC(=O)[O-])C(=O)NC[C@H](C)CN1CCOCC1	ZINC000908913286	613642406	/nfs/dbraw/zinc/64/24/06/613642406.db2.gz	HAEZKBDNSVHZLD-LBPRGKRZSA-N	-1	0	299.371	0.237	20	30		CCEDRM
C=CCN(CC(=O)[O-])C(=O)NCc1nnc2n1CCCC2	ZINC000797710901	613642767	/nfs/dbraw/zinc/64/27/67/613642767.db2.gz	NXVYUYYPYKAPOK-UHFFFAOYSA-N	-1	0	293.327	0.397	20	30		CCEDRM
C=CCN(CC(=O)[O-])C(=O)NCCOC1CCOCC1	ZINC000929017517	613642779	/nfs/dbraw/zinc/64/27/79/613642779.db2.gz	VNEYGMVYLHKDHO-UHFFFAOYSA-N	-1	0	286.328	0.464	20	30		CCEDRM
C=CCN(CC(=O)[O-])C(=O)N[C@@H]1C[C@H](OCC)[C@H]1OC	ZINC000909197075	613643160	/nfs/dbraw/zinc/64/31/60/613643160.db2.gz	SMTYHVYOKHOJEY-SCVCMEIPSA-N	-1	0	286.328	0.461	20	30		CCEDRM
C=CCN(CC(=O)[O-])C(=O)[C@H](C)Oc1ccccn1	ZINC000909514084	613643281	/nfs/dbraw/zinc/64/32/81/613643281.db2.gz	BJVQDYRLGCDFDT-JTQLQIEISA-N	-1	0	264.281	0.948	20	30		CCEDRM
C=CCN(CC(=O)[O-])C(=O)[C@@H]1CCc2nc[nH]c2C1	ZINC000909516917	613643361	/nfs/dbraw/zinc/64/33/61/613643361.db2.gz	TWNLFVPLRVDDSS-SECBINFHSA-N	-1	0	263.297	0.614	20	30		CCEDRM
C=CCN(CC(=O)[O-])C(=O)c1cnc(OCC)cn1	ZINC000909513996	613643643	/nfs/dbraw/zinc/64/36/43/613643643.db2.gz	ALFUEJHTKDZLMG-UHFFFAOYSA-N	-1	0	265.269	0.588	20	30		CCEDRM
C=CCN(CC(=O)[O-])c1ccc(S(=O)(=O)NC)cn1	ZINC000910401466	613644217	/nfs/dbraw/zinc/64/42/17/613644217.db2.gz	HEOIQYQEWBJHRI-UHFFFAOYSA-N	-1	0	285.325	0.067	20	30		CCEDRM
CC#CCS(=O)(=O)[N-]C(=O)c1ccc(C#N)nc1	ZINC000810774533	613647448	/nfs/dbraw/zinc/64/74/48/613647448.db2.gz	JSMGVYRHOHCLCV-UHFFFAOYSA-N	-1	0	263.278	0.036	20	30		CCEDRM
CC#CCS(=O)(=O)[N-]C(=O)c1n[nH]c2c1CCCCC2	ZINC000798202463	613648056	/nfs/dbraw/zinc/64/80/56/613648056.db2.gz	FYRFCWWYUIKLKF-UHFFFAOYSA-N	-1	0	295.364	0.762	20	30		CCEDRM
C=CCN(Cn1nc(C(=O)OC)cc1C(=O)[O-])C1CC1	ZINC000833375842	613651955	/nfs/dbraw/zinc/65/19/55/613651955.db2.gz	HXIVNXFUQNQTPF-UHFFFAOYSA-N	-1	0	279.296	0.976	20	30		CCEDRM
CC(=NNCC(=O)[O-])c1ccc([S@@](C)=O)cc1	ZINC000814961123	613654537	/nfs/dbraw/zinc/65/45/37/613654537.db2.gz	XJITVOORHARPMP-QGZVFWFLSA-N	-1	0	254.311	0.822	20	30		CCEDRM
C=CCNC(=O)COC(=O)c1ccc(C(=O)[O-])cc1	ZINC000819719986	613848471	/nfs/dbraw/zinc/84/84/71/613848471.db2.gz	CLGYUNNPKFWEQQ-UHFFFAOYSA-N	-1	0	263.249	0.844	20	30		CCEDRM
C=CCNC(=O)C(C#N)=C([O-])c1cnn(C2CC2)c1	ZINC000860470984	613852889	/nfs/dbraw/zinc/85/28/89/613852889.db2.gz	BUHZHLALYSQMES-NSHDSACASA-N	-1	0	258.281	0.843	20	30		CCEDRM
C=CCNC(=O)C(C#N)=C([O-])c1cccc(C(N)=O)c1	ZINC000916920949	613854952	/nfs/dbraw/zinc/85/49/52/613854952.db2.gz	KGVUGNQFQAZMGA-LLVKDONJSA-N	-1	0	271.276	0.410	20	30		CCEDRM
C=CCNC(=O)[C@H](C)OC(=O)CC1CN(C(=O)[O-])C1	ZINC000823506064	613855449	/nfs/dbraw/zinc/85/54/49/613855449.db2.gz	CEPUZTUJQAXCOL-QMMMGPOBSA-N	-1	0	270.285	0.220	20	30		CCEDRM
C=CCNS(=O)(=O)c1cc(F)ccc1C(=O)[O-]	ZINC000833376592	613859975	/nfs/dbraw/zinc/85/99/75/613859975.db2.gz	IRKFFTGFAWULNH-UHFFFAOYSA-N	-1	0	259.258	0.988	20	30		CCEDRM
C=CCOCC(=O)N[C@@H](C)C1(C(=O)[O-])CCOCC1	ZINC000907912687	613879426	/nfs/dbraw/zinc/87/94/26/613879426.db2.gz	CDIFUHXUKGCIND-JTQLQIEISA-N	-1	0	271.313	0.575	20	30		CCEDRM
C=CCOCCCC(=O)N1CC[N@H+](CCC(=O)[O-])[C@@H](C)C1	ZINC000833375951	613879709	/nfs/dbraw/zinc/87/97/09/613879709.db2.gz	OWIXGGHVXBRUHQ-ZDUSSCGKSA-N	-1	0	298.383	0.977	20	30		CCEDRM
C=CCOC[C@@H](NC(=O)CCc1cnn(C)c1C)C(=O)[O-]	ZINC000909771713	613881694	/nfs/dbraw/zinc/88/16/94/613881694.db2.gz	PDOZGSRNEDJGGV-GFCCVEGCSA-N	-1	0	295.339	0.433	20	30		CCEDRM
C=CCOC[C@@H](NC(=O)c1ccnn1C1CCC1)C(=O)[O-]	ZINC000907669769	613881876	/nfs/dbraw/zinc/88/18/76/613881876.db2.gz	QYOFHKYXGBDUQG-LLVKDONJSA-N	-1	0	293.323	0.994	20	30		CCEDRM
C=CCOC[C@@H](NC(=O)[C@H]1CSCCS1)C(=O)[O-]	ZINC000909770727	613881898	/nfs/dbraw/zinc/88/18/98/613881898.db2.gz	KJRBMSSVELGGIC-RKDXNWHRSA-N	-1	0	291.394	0.607	20	30		CCEDRM
C=CCOC[C@@H](NC(=O)c1cnn(C(C)C)c1)C(=O)[O-]	ZINC000909771773	613881947	/nfs/dbraw/zinc/88/19/47/613881947.db2.gz	PULYOUHEYVVWFJ-LLVKDONJSA-N	-1	0	281.312	0.850	20	30		CCEDRM
C=CCOC[C@H](NC(=O)C1(C#N)CC(C)C1)C(=O)[O-]	ZINC000923078397	613882244	/nfs/dbraw/zinc/88/22/44/613882244.db2.gz	GYVAQMPYMCLJFV-QUNCOHTASA-N	-1	0	266.297	0.698	20	30		CCEDRM
C=CCOC[C@H](NC(=O)Cc1ccc(C)nc1)C(=O)[O-]	ZINC000864146377	613882336	/nfs/dbraw/zinc/88/23/36/613882336.db2.gz	UJQMHHLIIQHDPI-LBPRGKRZSA-N	-1	0	278.308	0.705	20	30		CCEDRM
C=CCOC[C@H](NC(=O)[C@H](C)Cc1cnn(C)c1)C(=O)[O-]	ZINC000909770905	613882544	/nfs/dbraw/zinc/88/25/44/613882544.db2.gz	MKOBKRZZNQUQSR-PWSUYJOCSA-N	-1	0	295.339	0.371	20	30		CCEDRM
C=CCOC[C@H](NC(=O)[C@@](C)(O)CCC)C(=O)[O-]	ZINC000909767609	613882553	/nfs/dbraw/zinc/88/25/53/613882553.db2.gz	QAMBYDZVLCHMLJ-CABZTGNLSA-N	-1	0	259.302	0.310	20	30		CCEDRM
C=CCOC[C@H](NC(=O)[C@H]1CC12CC(OCC)C2)C(=O)[O-]	ZINC000864146769	613882612	/nfs/dbraw/zinc/88/26/12/613882612.db2.gz	XUNRWMNXORTMLT-OOLXCHQQSA-N	-1	0	297.351	0.964	20	30		CCEDRM
C=CCOC[C@H](NC(=O)[C@H]1C[C@@]12CCOC2)C(=O)[O-]	ZINC000909769155	613882629	/nfs/dbraw/zinc/88/26/29/613882629.db2.gz	XPSGRRRZTLBCCS-GBIKHYSHSA-N	-1	0	269.297	0.185	20	30		CCEDRM
C=CCOC[C@H](NC(=O)[C@H]1CCc2nccn2C1)C(=O)[O-]	ZINC000909769936	613882706	/nfs/dbraw/zinc/88/27/06/613882706.db2.gz	CTEZPPBEIXXBEC-QWRGUYRKSA-N	-1	0	293.323	0.218	20	30		CCEDRM
C=CCOC[C@H](NC(=O)c1cnn(C2CCC2)c1)C(=O)[O-]	ZINC000907670232	613882740	/nfs/dbraw/zinc/88/27/40/613882740.db2.gz	XRYIVYMWVLQLBY-LBPRGKRZSA-N	-1	0	293.323	0.994	20	30		CCEDRM
C=CCO[N-]C(=O)Cc1c(Br)cnn1C	ZINC000880229056	613883207	/nfs/dbraw/zinc/88/32/07/613883207.db2.gz	QXHXMIIWLWBOHS-UHFFFAOYSA-N	-1	0	274.118	0.959	20	30		CCEDRM
C=CCO[N-]C(=O)[C@@H]1COCCN1CC(F)F	ZINC000837048125	613884369	/nfs/dbraw/zinc/88/43/69/613884369.db2.gz	KRHWPQUGZYBDLU-QMMMGPOBSA-N	-1	0	250.245	0.186	20	30		CCEDRM
C=CCO[N-]C(=O)[C@@](C)(O)CN1Cc2ccccc2C1=O	ZINC000837047989	613884466	/nfs/dbraw/zinc/88/44/66/613884466.db2.gz	IJSGBOMGYOQDQM-HNNXBMFYSA-N	-1	0	290.319	0.627	20	30		CCEDRM
C=CCO[N-]C(=O)[C@H](C)N1C(=O)[C@@H]2CCCC[C@H]2C1=O	ZINC000837044554	613884511	/nfs/dbraw/zinc/88/45/11/613884511.db2.gz	OJTNLVJNKKUYMW-HBNTYKKESA-N	-1	0	280.324	0.784	20	30		CCEDRM
C=CCO[N-]C(=O)[C@H]1OCCO[C@H]1C(F)(F)F	ZINC000868764246	613884596	/nfs/dbraw/zinc/88/45/96/613884596.db2.gz	YPKZVYFFGQKOBG-NKWVEPMBSA-N	-1	0	255.192	0.567	20	30		CCEDRM
C=CCOc1ccc(OCC(=O)NCC(=O)[O-])cc1	ZINC000819719950	613884731	/nfs/dbraw/zinc/88/47/31/613884731.db2.gz	AMYNCOMOLJTRCR-UHFFFAOYSA-N	-1	0	265.265	0.831	20	30		CCEDRM
C=CCS(=O)(=O)C=C([O-])c1cc(C(=O)OC)[nH]c1C	ZINC000906048005	613884896	/nfs/dbraw/zinc/88/48/96/613884896.db2.gz	OEBSAEZZNKHANO-UHFFFAOYSA-N	-1	0	285.321	0.893	20	30		CCEDRM
C=CCOc1cccnc1C(=O)[N-]S(=O)(=O)CCC#N	ZINC000835408947	613884980	/nfs/dbraw/zinc/88/49/80/613884980.db2.gz	PRKBJTYSYZOEPW-UHFFFAOYSA-N	-1	0	295.320	0.620	20	30		CCEDRM
C=CCS(=O)(=O)[N-]C(=O)C1CCN(C(=O)OC)CC1	ZINC000850913656	613886087	/nfs/dbraw/zinc/88/60/87/613886087.db2.gz	UDLWWANAXJVENX-UHFFFAOYSA-N	-1	0	290.341	0.097	20	30		CCEDRM
C=CCS(=O)(=O)[N-]C(=O)Cc1ccc(CC)cn1	ZINC000892882400	613886161	/nfs/dbraw/zinc/88/61/61/613886161.db2.gz	LGEDRODJUPYCDR-UHFFFAOYSA-N	-1	0	268.338	0.819	20	30		CCEDRM
CC(C)NC(=O)C(C#N)=C([O-])c1ccc2c(n1)OCCO2	ZINC000847626402	613930545	/nfs/dbraw/zinc/93/05/45/613930545.db2.gz	LZOWWTYNZLUSGK-VIFPVBQESA-N	-1	0	289.291	0.700	20	30		CCEDRM
CC(C)NC(=O)C(C#N)=C([O-])c1ccc2c(c1)nnn2C	ZINC000103799142	613934036	/nfs/dbraw/zinc/93/40/36/613934036.db2.gz	QXFSIFDUOKCTNU-SNVBAGLBSA-N	-1	0	285.307	0.815	20	30		CCEDRM
CC(C)(C)NC(=O)COC(=O)[C@](C)(C#N)CC(=O)[O-]	ZINC000819908457	613949094	/nfs/dbraw/zinc/94/90/94/613949094.db2.gz	DSHHKNZKCLHASR-LBPRGKRZSA-N	-1	0	270.285	0.449	20	30		CCEDRM
CC(C)(C)O[C@@H]1C[C@H]1C(=O)[N-]S(=O)(=O)CCC#N	ZINC000851016440	614015605	/nfs/dbraw/zinc/01/56/05/614015605.db2.gz	UUHQALIWWPUXOQ-RKDXNWHRSA-N	-1	0	274.342	0.550	20	30		CCEDRM
CC(C)(C)O[C@@H]1C[C@H]1C(=O)N[C@H]1CCN(O)C1=O	ZINC000820132996	614015749	/nfs/dbraw/zinc/01/57/49/614015749.db2.gz	UPRWXFGWRBBEOV-HRDYMLBCSA-N	-1	0	256.302	0.296	20	30		CCEDRM
CC(C)CC(=O)[N-]S(=O)(=O)c1cncc(C#N)c1	ZINC000813984518	614019744	/nfs/dbraw/zinc/01/97/44/614019744.db2.gz	UIUBJDSGRXOMKG-UHFFFAOYSA-N	-1	0	267.310	0.804	20	30		CCEDRM
CC(C)Oc1cncc(C(=O)N(CC#N)CC(=O)[O-])c1	ZINC000827062577	614057639	/nfs/dbraw/zinc/05/76/39/614057639.db2.gz	DWZAGQVUIMGHPK-UHFFFAOYSA-N	-1	0	277.280	0.919	20	30		CCEDRM
CC(C)(CC(=O)N1CCOC[C@@H]1C#N)NC(=O)[O-]	ZINC000823882366	614077201	/nfs/dbraw/zinc/07/72/01/614077201.db2.gz	SQZBUODCWYOBKH-QMMMGPOBSA-N	-1	0	255.274	0.174	20	30		CCEDRM
CC(C)(CC(=O)NCC1CCN(CC#N)CC1)NC(=O)[O-]	ZINC000823882262	614077949	/nfs/dbraw/zinc/07/79/49/614077949.db2.gz	SKZUBKLTSSXFNQ-UHFFFAOYSA-N	-1	0	296.371	0.774	20	30		CCEDRM
CC(C)(CNC(=O)N1CCN(C2CC2)[C@@H](C#N)C1)C(=O)[O-]	ZINC000826576545	614097627	/nfs/dbraw/zinc/09/76/27/614097627.db2.gz	KBJDQNLDFTXBOF-NSHDSACASA-N	-1	0	294.355	0.479	20	30		CCEDRM
CC(C)COCCC(=O)N[C@H]1CCCN(O)C1=O	ZINC000816757099	614162830	/nfs/dbraw/zinc/16/28/30/614162830.db2.gz	LTGIGXCQPCKREO-JTQLQIEISA-N	-1	0	258.318	0.546	20	30		CCEDRM
CC(C)[C@@](C)(C#N)NC(=O)CN(C)[C@@H]1CCN(C(=O)[O-])C1	ZINC000824057123	614180144	/nfs/dbraw/zinc/18/01/44/614180144.db2.gz	OWYZOXSGWXPMRV-BXUZGUMPSA-N	-1	0	296.371	0.725	20	30		CCEDRM
CC(C)[C@H](C#N)NC(=O)C[C@H]1CN(C(=O)[O-])CCO1	ZINC000824055315	614187186	/nfs/dbraw/zinc/18/71/86/614187186.db2.gz	GDGGXSMAXIVMLM-UWVGGRQHSA-N	-1	0	269.301	0.420	20	30		CCEDRM
CC(=O)Nc1ccc(C(=O)[N-]S(C)(=O)=O)cc1	ZINC000042279805	614198910	/nfs/dbraw/zinc/19/89/10/614198910.db2.gz	RKFGOOOWSZDBMT-UHFFFAOYSA-N	-1	0	256.283	0.909	20	30		CCEDRM
CC(=O)Nc1ccc(C(=O)[N-]S(=O)(=O)CCC#N)cc1	ZINC000821582383	614199669	/nfs/dbraw/zinc/19/96/69/614199669.db2.gz	LNTNLNBQOUFJCQ-UHFFFAOYSA-N	-1	0	295.320	0.618	20	30		CCEDRM
CC(C)Cn1cnc(S(=O)(=O)[N-]C(=O)[C@H](C)CC#N)c1	ZINC000850938456	614243916	/nfs/dbraw/zinc/24/39/16/614243916.db2.gz	UHVISVGXEMLSHV-SNVBAGLBSA-N	-1	0	298.368	0.894	20	30		CCEDRM
CC(C)[C@](C)(C#N)NC(=O)COC(=O)C1(NC(=O)[O-])CC1	ZINC000824055393	614286517	/nfs/dbraw/zinc/28/65/17/614286517.db2.gz	GSDSLLKXNXADIL-LBPRGKRZSA-N	-1	0	297.311	0.384	20	30		CCEDRM
CC(C)(C#N)CS(=O)(=O)[N-]CC(F)(F)CO	ZINC000914382372	614287396	/nfs/dbraw/zinc/28/73/96/614287396.db2.gz	GKBCKNNDGHHEPC-UHFFFAOYSA-N	-1	0	256.274	0.083	20	30		CCEDRM
CC(C[C@@H]1CCCN1C(=O)[O-])=NNCCS(C)(=O)=O	ZINC000824759223	614382102	/nfs/dbraw/zinc/38/21/02/614382102.db2.gz	JLHFSZOGSOMCTC-JTQLQIEISA-N	-1	0	291.373	0.529	20	30		CCEDRM
CC(Cl)(Cl)C(=O)[N-]S(=O)(=O)CCC#N	ZINC000835409089	614383127	/nfs/dbraw/zinc/38/31/27/614383127.db2.gz	RFCWPTHMKXCTTR-UHFFFAOYSA-N	-1	0	259.114	0.540	20	30		CCEDRM
CCC(C#N)(CC)C(=O)[N-]S(=O)(=O)C[C@H](C)OC	ZINC000860705276	614470243	/nfs/dbraw/zinc/47/02/43/614470243.db2.gz	FONDLKNHQPOAJA-VIFPVBQESA-N	-1	0	276.358	0.797	20	30		CCEDRM
CCN(C(=O)Cc1ccc(C#N)nc1)[C@@H](C)C(=O)[O-]	ZINC000902044717	614595818	/nfs/dbraw/zinc/59/58/18/614595818.db2.gz	ARFLSHZYGLTZDH-VIFPVBQESA-N	-1	0	261.281	0.817	20	30		CCEDRM
CCCCC[C@@H](C)NC(=O)Cn1c(=O)[n-]cc(C#N)c1=O	ZINC000842615090	614927613	/nfs/dbraw/zinc/92/76/13/614927613.db2.gz	GGUMKCGMMLDDBY-SNVBAGLBSA-N	-1	0	292.339	0.493	20	30		CCEDRM
CC1=C(C(=O)[O-])C[C@H](Cn2nc(C)c(C)c(C#N)c2=O)O1	ZINC000833580561	614961604	/nfs/dbraw/zinc/96/16/04/614961604.db2.gz	YTMPDUNUCZVFRX-SNVBAGLBSA-N	-1	0	289.291	0.879	20	30		CCEDRM
CCCS(=O)(=O)[N-]C(=O)Cc1ccc(C#N)nc1	ZINC000860558273	614965937	/nfs/dbraw/zinc/96/59/37/614965937.db2.gz	QUNINAGXZBEVMQ-UHFFFAOYSA-N	-1	0	267.310	0.352	20	30		CCEDRM
CCN(CCC#N)C(=O)CN(C)[C@@H]1CCN(C(=O)[O-])C1	ZINC000827112106	615021663	/nfs/dbraw/zinc/02/16/63/615021663.db2.gz	WIPJNAOADLBZST-LLVKDONJSA-N	-1	0	282.344	0.433	20	30		CCEDRM
CCN(CCC#N)C(=O)CN1CC[C@@](F)(C(=O)[O-])C1	ZINC000829692354	615022057	/nfs/dbraw/zinc/02/20/57/615022057.db2.gz	HMVMBXBIDLDMSB-LBPRGKRZSA-N	-1	0	271.292	0.247	20	30		CCEDRM
CCN(C[C@@H](C)C#N)C(=O)CN1CCO[C@@H](CC(=O)[O-])C1	ZINC000829642652	615061382	/nfs/dbraw/zinc/06/13/82/615061382.db2.gz	NSNRGOJDCCZITP-RYUDHWBXSA-N	-1	0	297.355	0.170	20	30		CCEDRM
CCOCCCNC(=O)C(C#N)=C([O-])c1cnn(CC)c1	ZINC000114617559	615244680	/nfs/dbraw/zinc/24/46/80/615244680.db2.gz	HKHFVGBHTIMLKR-LBPRGKRZSA-N	-1	0	292.339	0.768	20	30		CCEDRM
CCOCCS(=O)(=O)N1CCC(C#CC(=O)[O-])CC1	ZINC000844815227	615295961	/nfs/dbraw/zinc/29/59/61/615295961.db2.gz	GCDHIDNRRZPQBI-UHFFFAOYSA-N	-1	0	289.353	0.153	20	30		CCEDRM
CCO[N-]C(=O)CNC(=O)NCC1(C#N)CCCCC1	ZINC000852399514	615362719	/nfs/dbraw/zinc/36/27/19/615362719.db2.gz	KIFQCCHLSSTDFA-UHFFFAOYSA-N	-1	0	282.344	0.827	20	30		CCEDRM
CCO[C@@H]1C[C@H]1C(=O)[N-]S(=O)(=O)c1cncc(C#N)c1	ZINC000813984090	615451205	/nfs/dbraw/zinc/45/12/05/615451205.db2.gz	NQKYYCVAXRDIEB-GHMZBOCLSA-N	-1	0	295.320	0.183	20	30		CCEDRM
CC[C@@H](CNC(=O)CC1(C#N)CCOCC1)C(=O)[O-]	ZINC000902844245	615482519	/nfs/dbraw/zinc/48/25/19/615482519.db2.gz	GWDASPYEIXPYSD-JTQLQIEISA-N	-1	0	268.313	0.924	20	30		CCEDRM
CC[C@@H](CNS(=O)(=O)N(C)[C@H](C)CC#N)C(=O)[O-]	ZINC000844783840	615484526	/nfs/dbraw/zinc/48/45/26/615484526.db2.gz	GGMBEUZKQGXPBF-BDAKNGLRSA-N	-1	0	277.346	0.166	20	30		CCEDRM
CCc1c[nH]c(=O)c(C(=O)N[C@H]2CCCN(O)C2=O)c1	ZINC000854648849	615710838	/nfs/dbraw/zinc/71/08/38/615710838.db2.gz	LDUHEHQZPLNZRE-JTQLQIEISA-N	-1	0	279.296	0.460	20	30		CCEDRM
CCn1nccc1CN=Nc1oc(C)nc1-c1nnn[n-]1	ZINC000825806879	615724475	/nfs/dbraw/zinc/72/44/75/615724475.db2.gz	IILIBGFVPIVRLO-UHFFFAOYSA-N	-1	0	287.287	0.826	20	30		CCEDRM
CCc1ncc(C(=O)N[C@H]2CCCN(O)C2=O)s1	ZINC000848138049	615771826	/nfs/dbraw/zinc/77/18/26/615771826.db2.gz	JKOHYZVLPCPNPG-ZETCQYMHSA-N	-1	0	269.326	0.816	20	30		CCEDRM
CCc1nnc(-n2cnc(-c3nnn[n-]3)n2)c(C#N)c1CC	ZINC000821518559	615803332	/nfs/dbraw/zinc/80/33/32/615803332.db2.gz	ZNUCYSWGDKFNNX-UHFFFAOYSA-N	-1	0	296.298	0.234	20	30		CCEDRM
CC[C@H](NC(=O)[O-])C(=O)OCCNc1ncccc1C#N	ZINC000827544172	615805795	/nfs/dbraw/zinc/80/57/95/615805795.db2.gz	QFEQWFSXAMSCMZ-JTQLQIEISA-N	-1	0	292.295	0.955	20	30		CCEDRM
CCc1nnsc1C(=O)N1CCN(C(=O)[O-])C[C@@H]1C#N	ZINC000827663967	615823927	/nfs/dbraw/zinc/82/39/27/615823927.db2.gz	SZDYHIUTYCMQNK-ZETCQYMHSA-N	-1	0	295.324	0.428	20	30		CCEDRM
CN(C(=O)[O-])[C@@H]1CCN(C(=O)Nc2nn(C)cc2C#N)C1	ZINC000827865507	615843960	/nfs/dbraw/zinc/84/39/60/615843960.db2.gz	PHIZTLKNWCIJEX-SECBINFHSA-N	-1	0	292.299	0.508	20	30		CCEDRM
CN(C(=O)[O-])[C@H]1CCN(C(=O)CSCC#N)C1	ZINC000827840508	615845016	/nfs/dbraw/zinc/84/50/16/615845016.db2.gz	CJVGAUSHALHSBD-QMMMGPOBSA-N	-1	0	257.315	0.454	20	30		CCEDRM
CN(C)c1ncc(C=Nn2c(=O)[n-][nH]c2=O)s1	ZINC000814233783	616035482	/nfs/dbraw/zinc/03/54/82/616035482.db2.gz	HQHQDBZCMUMKFN-UHFFFAOYSA-N	-1	0	254.275	0.094	20	30		CCEDRM
CN(CCC(=O)[O-])C(=O)NC1CCN(CC#N)CC1	ZINC000818429199	616068703	/nfs/dbraw/zinc/06/87/03/616068703.db2.gz	VTJZYKISHJMGHP-UHFFFAOYSA-N	-1	0	268.317	0.090	20	30		CCEDRM
CN(CCCC(=O)OC1CCN(CC#N)CC1)C(=O)[O-]	ZINC000830768314	616072048	/nfs/dbraw/zinc/07/20/48/616072048.db2.gz	MGKXVBNIAAZFAK-UHFFFAOYSA-N	-1	0	283.328	0.908	20	30		CCEDRM
CN(CCCNC(=O)[O-])c1nccc(C#N)c1[N+](=O)[O-]	ZINC000828302505	616075069	/nfs/dbraw/zinc/07/50/69/616075069.db2.gz	PTPKXJBQMHXAOJ-UHFFFAOYSA-N	-1	0	279.256	0.955	20	30		CCEDRM
CN(CCNC(=O)c1cc(C#N)cn1C)C(=O)[O-]	ZINC000828330165	616095448	/nfs/dbraw/zinc/09/54/48/616095448.db2.gz	SUCPVXFSMHLFFG-UHFFFAOYSA-N	-1	0	250.258	0.236	20	30		CCEDRM
CN(Cc1nccn1C)C(=O)[C@@](C)(C#N)CC(=O)[O-]	ZINC000820607843	616106417	/nfs/dbraw/zinc/10/64/17/616106417.db2.gz	ZTAVNZONBRSPMK-GFCCVEGCSA-N	-1	0	264.285	0.383	20	30		CCEDRM
CN(C[C@H]1CCCN1C(=O)CSCC#N)C(=O)[O-]	ZINC000828191070	616152866	/nfs/dbraw/zinc/15/28/66/616152866.db2.gz	BPSFBLSCGHLXOC-SECBINFHSA-N	-1	0	271.342	0.844	20	30		CCEDRM
CN1CCC[C@H](N[C@H](C(=O)[O-])c2ccc(C#N)cc2)C1=O	ZINC000830935333	616208424	/nfs/dbraw/zinc/20/84/24/616208424.db2.gz	WFWBMLACQIJHCF-STQMWFEESA-N	-1	0	287.319	0.894	20	30		CCEDRM
COC(=O)[C@@H]1CCN(CC2(C#N)CC2)[C@H](C(=O)[O-])C1	ZINC000833706045	616304978	/nfs/dbraw/zinc/30/49/78/616304978.db2.gz	FGZSSHKXZPGWSP-ZJUUUORDSA-N	-1	0	266.297	0.628	20	30		CCEDRM
COC/C=C/C(=O)[N-]S(=O)(=O)CC1(C#N)CCC1	ZINC000870297265	616399585	/nfs/dbraw/zinc/39/95/85/616399585.db2.gz	LQNWXZDOLQHMBT-DUXPYHPUSA-N	-1	0	272.326	0.329	20	30		CCEDRM
COC1(CNC(=O)[C@@](C)(C#N)CC(=O)[O-])CCOCC1	ZINC000820702694	616452352	/nfs/dbraw/zinc/45/23/52/616452352.db2.gz	ACCXQOFNIXBCFJ-GFCCVEGCSA-N	-1	0	284.312	0.303	20	30		CCEDRM
COCCNC(=O)C(C#N)=C([O-])c1ccc(C)c(C)n1	ZINC000842288312	616496518	/nfs/dbraw/zinc/49/65/18/616496518.db2.gz	IJOVFJBDLRGSGC-LLVKDONJSA-N	-1	0	275.308	0.784	20	30		CCEDRM
COC(=O)CCCO[N-]C(=O)C1(C#N)CC(C)C1	ZINC000811562339	616537200	/nfs/dbraw/zinc/53/72/00/616537200.db2.gz	NMUASDRBAOCZHU-UHFFFAOYSA-N	-1	0	254.286	0.927	20	30		CCEDRM
COC(=O)[C@@]1(C)CCN(C(=O)[C@](C)(C#N)CC(=O)[O-])C1	ZINC000820653336	616542115	/nfs/dbraw/zinc/54/21/15/616542115.db2.gz	FFDNSHREDOKKLG-STQMWFEESA-N	-1	0	282.296	0.403	20	30		CCEDRM
COC(=O)CN(CC#N)CC1CCN(C(=O)[O-])CC1	ZINC000828683420	616587596	/nfs/dbraw/zinc/58/75/96/616587596.db2.gz	JPKNRCKVXLGTQS-UHFFFAOYSA-N	-1	0	269.301	0.375	20	30		CCEDRM
COC(=O)CN(CC#N)CCOc1cccc(C(=O)[O-])c1	ZINC000831163573	616588025	/nfs/dbraw/zinc/58/80/25/616588025.db2.gz	AAMMJDSTJXNWDB-UHFFFAOYSA-N	-1	0	292.291	0.762	20	30		CCEDRM
COCCOc1cccc(C=Nn2c(=O)[n-][nH]c2=O)c1	ZINC000814234392	616595693	/nfs/dbraw/zinc/59/56/93/616595693.db2.gz	WZYDKUFYYXIWSV-UHFFFAOYSA-N	-1	0	278.268	0.597	20	30		CCEDRM
COC(=O)COc1ccccc1C=NNCC(=O)[O-]	ZINC000901248243	616618691	/nfs/dbraw/zinc/61/86/91/616618691.db2.gz	UPHMMDHSFDTLOI-UHFFFAOYSA-N	-1	0	266.253	0.247	20	30		CCEDRM
COC[C@H](NC(=O)[C@](C)(C#N)CC(=O)[O-])C(C)C	ZINC000820710581	616713401	/nfs/dbraw/zinc/71/34/01/616713401.db2.gz	POKUGJDZYFCDNS-CABZTGNLSA-N	-1	0	256.302	0.778	20	30		CCEDRM
CNC(=O)C(C#N)=C([O-])c1nnc2ccccc2n1	ZINC000810534004	616777706	/nfs/dbraw/zinc/77/77/06/616777706.db2.gz	BWKLSXRTMVRLFA-ZETCQYMHSA-N	-1	0	255.237	0.093	20	30		CCEDRM
COC[C@](C)(C#N)NC(=O)c1ccc(C(=O)[O-])nc1	ZINC000831540655	616817325	/nfs/dbraw/zinc/81/73/25/616817325.db2.gz	AQOXRTSDCWCMOW-LBPRGKRZSA-N	-1	0	263.253	0.438	20	30		CCEDRM
COC[C@](C)(NC(=O)c1cc(C#N)c[nH]1)C(=O)[O-]	ZINC000831612487	616831445	/nfs/dbraw/zinc/83/14/45/616831445.db2.gz	BRGVNZLDZJBDRQ-NSHDSACASA-N	-1	0	251.242	0.106	20	30		CCEDRM
CNC(=O)C(C#N)=C([O-])c1ccc2c(c1)OCC(=O)N2	ZINC000917003271	616839300	/nfs/dbraw/zinc/83/93/00/616839300.db2.gz	ZHMHPJCWDCLKCN-MRVPVSSYSA-N	-1	0	273.248	0.086	20	30		CCEDRM
CNC(=O)C(C#N)=C([O-])c1nnn(-c2ccccc2)c1C	ZINC000918489402	616839671	/nfs/dbraw/zinc/83/96/71/616839671.db2.gz	LFRQTQLOGRPXMI-LLVKDONJSA-N	-1	0	283.291	0.644	20	30		CCEDRM
COCCCC(=O)[N-]S(=O)(=O)c1cncc(C#N)c1	ZINC000813983793	616855310	/nfs/dbraw/zinc/85/53/10/616855310.db2.gz	HGYZDJONABJXCR-UHFFFAOYSA-N	-1	0	283.309	0.185	20	30		CCEDRM
COCc1cc(C(=O)N2CCN(C(=O)[O-])C[C@@H]2C#N)no1	ZINC000829035152	616878717	/nfs/dbraw/zinc/87/87/17/616878717.db2.gz	DJWNXQUUOGDQFP-QMMMGPOBSA-N	-1	0	294.267	0.149	20	30		CCEDRM
COC(=O)c1ccc(C=Nn2c(=O)c(C)n[n-]c2=S)o1	ZINC000915945036	616891481	/nfs/dbraw/zinc/89/14/81/616891481.db2.gz	LFISPYHUCSFWQY-UHFFFAOYSA-N	-1	0	294.292	0.497	20	30		CCEDRM
COC[C@@H](NC(=O)[C@]1(C#N)CC2CCC1CC2)C(=O)[O-]	ZINC000923076719	616894551	/nfs/dbraw/zinc/89/45/51/616894551.db2.gz	GDGJQRAGNSJJGE-OTFCRSJLSA-N	-1	0	280.324	0.922	20	30		CCEDRM
COC[C@@H]1CCCN(C(=O)[C@@](C)(C#N)CC(=O)[O-])C1	ZINC000820715277	616940501	/nfs/dbraw/zinc/94/05/01/616940501.db2.gz	SFDGWGCVIZLYDH-ZWNOBZJWSA-N	-1	0	268.313	0.876	20	30		CCEDRM
COCCN(CC#N)CC(=O)[N-]OCc1ccccc1	ZINC000839083817	616974209	/nfs/dbraw/zinc/97/42/09/616974209.db2.gz	RAJYGGHJANECNZ-UHFFFAOYSA-N	-1	0	277.324	0.706	20	30		CCEDRM
COCCN(CC(=O)[O-])C(=O)[C@H](O)c1ccc(C#N)cc1	ZINC000820719237	616982263	/nfs/dbraw/zinc/98/22/63/616982263.db2.gz	RPWDOZLMRYOZLA-CYBMUJFWSA-N	-1	0	292.291	0.151	20	30		CCEDRM
COCCN(CC(=O)[O-])Cc1cnc2ccc(C#N)cn12	ZINC000820723491	616983648	/nfs/dbraw/zinc/98/36/48/616983648.db2.gz	KYQGTZADSUJFIC-UHFFFAOYSA-N	-1	0	288.307	0.739	20	30		CCEDRM
COCCN(CCC(=O)[O-])C(=O)c1cc(C#N)c[nH]1	ZINC000831725462	616996099	/nfs/dbraw/zinc/99/60/99/616996099.db2.gz	XZGWUVVYBSXBGS-UHFFFAOYSA-N	-1	0	265.269	0.450	20	30		CCEDRM
N#Cc1cccc(C(=O)[N-]S(=O)(=O)C2(Cl)CC2)n1	ZINC000893234790	625389881	/nfs/dbraw/zinc/38/98/81/625389881.db2.gz	LLYVDEYKYICFMA-UHFFFAOYSA-N	-1	0	285.712	0.742	20	30		CCEDRM
Cn1nccc1/C=C\C(=O)c1cnc([O-])n(C)c1=O	ZINC000255639545	623216293	/nfs/dbraw/zinc/21/62/93/623216293.db2.gz	BRPQYZIKWVCUAR-ARJAWSKDSA-N	-1	0	260.253	0.116	20	30		CCEDRM
Cc1n[nH]c(C(=O)NC[C@H]2CCCCN2CC#N)c1[O-]	ZINC001024396522	623311267	/nfs/dbraw/zinc/31/12/67/623311267.db2.gz	SFWQZVOJWLWOIJ-SNVBAGLBSA-N	-1	0	277.328	0.532	20	30		CCEDRM
C[C@H]1CO[C@H](C(=O)[N-]S(=O)(=O)CCCC#N)C1	ZINC000892925584	623865702	/nfs/dbraw/zinc/86/57/02/623865702.db2.gz	KMYQMPGHBIHABD-BDAKNGLRSA-N	-1	0	260.315	0.161	20	30		CCEDRM
O=C(CCCc1nnn[n-]1)NCC#C[C@@H]1CCCCO1	ZINC000891112507	624727318	/nfs/dbraw/zinc/72/73/18/624727318.db2.gz	KXYNHJGCBUUKCP-NSHDSACASA-N	-1	0	277.328	0.211	20	30		CCEDRM
Cn1ncc(C(=O)[O-])c1C(=O)N1CCC[C@@H](C#N)C1	ZINC000902832071	634470715	/nfs/dbraw/zinc/47/07/15/634470715.db2.gz	IUWBCRHTUJWYEF-QMMMGPOBSA-N	-1	0	262.269	0.494	20	30		CCEDRM
C=CCCCN(CC)C(=O)C(=O)N(C)C[C@H](C)C(=O)[O-]	ZINC000904946033	634773668	/nfs/dbraw/zinc/77/36/68/634773668.db2.gz	BYLVGMSCUDZALG-NSHDSACASA-N	-1	0	284.356	0.980	20	30		CCEDRM
Cc1nnc(NN=Cc2cc(CO)ccc2O)[n-]c1=O	ZINC000814734530	631599930	/nfs/dbraw/zinc/59/99/30/631599930.db2.gz	FFHXSFGVCQYUBS-UHFFFAOYSA-N	-1	0	275.268	0.530	20	30		CCEDRM
Cn1cc(S(=O)(=O)[N-]C(=O)C(C)(C)C)cc1C(N)=O	ZINC000048518734	631728297	/nfs/dbraw/zinc/72/82/97/631728297.db2.gz	RUPNUPWQNXTFCN-UHFFFAOYSA-N	-1	0	287.341	0.815	20	30		CCEDRM
N#Cc1cccc(S(=O)(=O)[N-]C(=O)[C@H]2COCCO2)c1	ZINC000048519536	631729448	/nfs/dbraw/zinc/72/94/48/631729448.db2.gz	LKIJGEVQVFBJOY-LLVKDONJSA-N	-1	0	296.304	0.619	20	30		CCEDRM
C#C[C@H](C)NS(=O)(=O)c1ccc(CC(=O)[O-])cc1	ZINC000122975700	631888052	/nfs/dbraw/zinc/88/80/52/631888052.db2.gz	OVRGQNHHHFTSHY-VIFPVBQESA-N	-1	0	267.306	0.614	20	30		CCEDRM
Cc1[nH]nc(C(=O)N2CCC(N(C)CC#N)CC2)c1[O-]	ZINC000985377124	632452775	/nfs/dbraw/zinc/45/27/75/632452775.db2.gz	NZNOEIRYDGGXAR-UHFFFAOYSA-N	-1	0	277.328	0.484	20	30		CCEDRM
Cc1ccc(F)c(O)c1C=NNCCS(C)(=O)=O	ZINC000901195658	634204784	/nfs/dbraw/zinc/20/47/84/634204784.db2.gz	GKSCASFOPKLZTB-UHFFFAOYSA-N	-1	0	274.317	0.808	20	30		CCEDRM
Cn1nc(C(=O)[O-])cc1C=NN[C@H]1CCOC(C)(C)C1	ZINC000901222874	634215004	/nfs/dbraw/zinc/21/50/04/634215004.db2.gz	UDICIBMMISKOFW-VIFPVBQESA-N	-1	0	280.328	0.999	20	30		CCEDRM
CC(C)(C#N)CS(=O)(=O)N1CCC(C#CC(=O)[O-])CC1	ZINC000905993026	634944867	/nfs/dbraw/zinc/94/48/67/634944867.db2.gz	LWZRSLIYMUQFQF-UHFFFAOYSA-N	-1	0	298.364	0.666	20	30		CCEDRM
N#Cc1ccccc1C(F)(F)C(=O)[N-]OCCO	ZINC000907482773	635141837	/nfs/dbraw/zinc/14/18/37/635141837.db2.gz	IUAHGPKNZNYOCO-UHFFFAOYSA-N	-1	0	256.208	0.690	20	30		CCEDRM
COCCS(=O)(=O)[N-]C(=O)c1cccc(CC#N)c1	ZINC000171801363	637146671	/nfs/dbraw/zinc/14/66/71/637146671.db2.gz	DUHNHINWDGBRDU-UHFFFAOYSA-N	-1	0	282.321	0.459	20	30		CCEDRM
COc1ccc([N+](=O)[O-])c(C(=O)[N-]S(C)(=O)=O)c1	ZINC000063234213	637207236	/nfs/dbraw/zinc/20/72/36/637207236.db2.gz	JPVOVUPRCAYIPN-UHFFFAOYSA-N	-1	0	274.254	0.868	20	30		CCEDRM
C#CCSCCNC(=O)N(CCC)CC(=O)[O-]	ZINC000231960440	637237042	/nfs/dbraw/zinc/23/70/42/637237042.db2.gz	MMBTWCMNJGLVGB-UHFFFAOYSA-N	-1	0	258.343	0.859	20	30		CCEDRM
CC(C)(C#N)CC(=O)N1CCC(c2nnn[n-]2)CC1	ZINC000913745166	637427261	/nfs/dbraw/zinc/42/72/61/637427261.db2.gz	RIQPWXXZMIHFOH-UHFFFAOYSA-N	-1	0	262.317	0.846	20	30		CCEDRM
N#Cc1ccc([O-])c(NC(=O)[C@@H]2CCNC(=O)C2)c1	ZINC000152083550	637464242	/nfs/dbraw/zinc/46/42/42/637464242.db2.gz	CUSKAMJWCFWKRW-SECBINFHSA-N	-1	0	259.265	0.729	20	30		CCEDRM
CC(C)Cn1cc(C(=O)[N-]S(=O)(=O)CCCC#N)cn1	ZINC000181803587	638421990	/nfs/dbraw/zinc/42/19/90/638421990.db2.gz	IZFQUEXFOQUVRL-UHFFFAOYSA-N	-1	0	298.368	0.902	20	30		CCEDRM
CO[C@@H](C)CC(=O)[N-]S(=O)(=O)c1ccc(C#N)cc1	ZINC000195490505	638783786	/nfs/dbraw/zinc/78/37/86/638783786.db2.gz	SZDUTEUQIRIVPB-VIFPVBQESA-N	-1	0	282.321	0.788	20	30		CCEDRM
C#Cc1cccc(NC(=O)CSc2n[nH]c(=O)[n-]2)c1	ZINC000186844354	639847294	/nfs/dbraw/zinc/84/72/94/639847294.db2.gz	VTHDDQWGORJRKC-UHFFFAOYSA-N	-1	0	274.305	0.810	20	30		CCEDRM
C[C@@H]1[C@@H](C(=O)[O-])CCN1C(=O)[C@]1(C#N)CCCOC1	ZINC000923083446	640017306	/nfs/dbraw/zinc/01/73/06/640017306.db2.gz	YRCYLMHOSVHFLY-NRUUGDAUSA-N	-1	0	266.297	0.628	20	30		CCEDRM
N#CC1(CS(=O)(=O)[N-]C(=O)COC(F)F)CCC1	ZINC000802769994	640703806	/nfs/dbraw/zinc/70/38/06/640703806.db2.gz	VBVWZQOLDNIDBH-UHFFFAOYSA-N	-1	0	282.268	0.365	20	30		CCEDRM
N#Cc1nc(NC(=O)Cc2ccncc2)[n-]c1C#N	ZINC000810083680	640923171	/nfs/dbraw/zinc/92/31/71/640923171.db2.gz	QOKNEWYPPGWGGN-UHFFFAOYSA-N	-1	0	252.237	0.729	20	30		CCEDRM
N#Cc1cncc(S(=O)(=O)[N-]C(=O)[C@@H]2CCSC2)c1	ZINC000813985247	641052042	/nfs/dbraw/zinc/05/20/42/641052042.db2.gz	SKZOTCHCJNPUGL-SECBINFHSA-N	-1	0	297.361	0.511	20	30		CCEDRM
O=C1[N-]C(=O)C(=NN=c2ccc3ccccc3[nH]2)C(=O)N1	ZINC000814212690	641059958	/nfs/dbraw/zinc/05/99/58/641059958.db2.gz	IPVHWRNMEXNUIO-UHFFFAOYSA-N	-1	0	283.247	0.369	20	30		CCEDRM
C[C@@H](NN=C1C(=O)[N-]C(=O)NC1=O)c1ccccc1	ZINC000814217950	641060060	/nfs/dbraw/zinc/06/00/60/641060060.db2.gz	BIOGJOPUKARBLV-SSDOTTSWSA-N	-1	0	260.253	0.059	20	30		CCEDRM
O=c1[n-][nH]c(=O)n1N=Cc1cc(C(F)(F)F)[nH]n1	ZINC000814230921	641061326	/nfs/dbraw/zinc/06/13/26/641061326.db2.gz	DINMVJPRPGFWDR-UHFFFAOYSA-N	-1	0	262.151	0.313	20	30		CCEDRM
O=c1[n-][nH]c(=O)n1N=Cc1ccnn1-c1ccccc1	ZINC000814231845	641061851	/nfs/dbraw/zinc/06/18/51/641061851.db2.gz	GHHHKTKMECSCLM-UHFFFAOYSA-N	-1	0	270.252	0.757	20	30		CCEDRM
COc1nc(N(C)C)sc1C=Nn1c(=O)[n-][nH]c1=O	ZINC000814232607	641062584	/nfs/dbraw/zinc/06/25/84/641062584.db2.gz	FACFDSSLASAZAQ-UHFFFAOYSA-N	-1	0	284.301	0.103	20	30		CCEDRM
NC(=O)CON=Cc1cccc(C(=O)[O-])c1Cl	ZINC000814893311	641081272	/nfs/dbraw/zinc/08/12/72/641081272.db2.gz	MBQPEQREFZFITP-UHFFFAOYSA-N	-1	0	256.645	0.874	20	30		CCEDRM
C[C@H]1C(=NNCC(N)=O)CC[C@@H](C(=O)[O-])C1(C)C	ZINC000814904088	641082039	/nfs/dbraw/zinc/08/20/39/641082039.db2.gz	QQUAIAHYVBQUEB-YUMQZZPRSA-N	-1	0	255.318	0.574	20	30		CCEDRM
COc1cccc2c1OCCC2=NNCC(=O)[O-]	ZINC000814958210	641084662	/nfs/dbraw/zinc/08/46/62/641084662.db2.gz	FFKCHKBJNSNHCB-UHFFFAOYSA-N	-1	0	250.254	0.856	20	30		CCEDRM
O=C(N[C@H]1CCN(O)C1=O)c1cc([O-])ccc1[N+](=O)[O-]	ZINC000816690629	641191624	/nfs/dbraw/zinc/19/16/24/641191624.db2.gz	XYGVJUPUYNGWGT-QMMMGPOBSA-N	-1	0	281.224	0.020	20	30		CCEDRM
O=C(N[C@@H]1CCCN(O)C1=O)c1ccc([N+](=O)[O-])c([O-])c1	ZINC000816754168	641208830	/nfs/dbraw/zinc/20/88/30/641208830.db2.gz	YGNAQVSDCIAXDF-MRVPVSSYSA-N	-1	0	295.251	0.410	20	30		CCEDRM
Cc1nsc(C)c1C(=O)N[C@H]1CCN(O)C1=O	ZINC000820138266	641469709	/nfs/dbraw/zinc/46/97/09/641469709.db2.gz	YBCLHOFAVWXACE-ZETCQYMHSA-N	-1	0	255.299	0.480	20	30		CCEDRM
Cn1c([O-])c(C(=O)/C=C\c2ccsc2)c(=O)n(C)c1=O	ZINC000821012101	641555277	/nfs/dbraw/zinc/55/52/77/641555277.db2.gz	CSILMJSXFQCZAO-ARJAWSKDSA-N	-1	0	292.316	0.747	20	30		CCEDRM
N#Cc1c(-c2nnn[n-]2)ncn1CC(=O)Nc1ccccc1	ZINC000826383216	641930345	/nfs/dbraw/zinc/93/03/45/641930345.db2.gz	PNJBGQRBRMUUMN-UHFFFAOYSA-N	-1	0	294.278	0.574	20	30		CCEDRM
C[C@H](CC(=O)[O-])C(=O)OCC(=O)N[C@@](C)(C#N)C1CC1	ZINC000827334613	641998702	/nfs/dbraw/zinc/99/87/02/641998702.db2.gz	TZVGHFVOFKFBCX-OQPBUACISA-N	-1	0	282.296	0.449	20	30		CCEDRM
C#CCO[C@@H](C)C(=O)[N-]S(=O)(=O)Cc1ccc(F)cc1	ZINC000835037276	642646457	/nfs/dbraw/zinc/64/64/57/642646457.db2.gz	UNGZPMQLJORBHV-JTQLQIEISA-N	-1	0	299.323	0.810	20	30		CCEDRM
N#CCSCC(=O)[N-]S(=O)(=O)[C@H]1C[C@@H]2CC[C@H]1C2	ZINC000835748683	642674083	/nfs/dbraw/zinc/67/40/83/642674083.db2.gz	UWXZMJUQMXMBAY-UTLUCORTSA-N	-1	0	288.394	0.878	20	30		CCEDRM
C[C@H](O)CN(C)N=Cc1ccccc1OCC(=O)[O-]	ZINC000841651334	642827682	/nfs/dbraw/zinc/82/76/82/642827682.db2.gz	FRGBJHBRMZDDDG-JTQLQIEISA-N	-1	0	266.297	0.797	20	30		CCEDRM
CC#CCS(=O)(=O)[N-]C(=O)C1SCCCS1	ZINC000842345553	642892437	/nfs/dbraw/zinc/89/24/37/642892437.db2.gz	GZVZRSGDSMKTKH-UHFFFAOYSA-N	-1	0	279.408	0.652	20	30		CCEDRM
N#Cc1ccc(S(=O)(=O)[N-]C(=O)[C@H]2CCC(=O)C2)cc1	ZINC000842675658	642930972	/nfs/dbraw/zinc/93/09/72/642930972.db2.gz	HPAOQABUKASWOK-JTQLQIEISA-N	-1	0	292.316	0.732	20	30		CCEDRM
N#CC1(CS(=O)(=O)[N-]C(=O)[C@@H]2CCC(=O)C2)CC1	ZINC000842755393	642945402	/nfs/dbraw/zinc/94/54/02/642945402.db2.gz	YPABIZFZMAOLPG-MRVPVSSYSA-N	-1	0	270.310	0.105	20	30		CCEDRM
CC#CCS(=O)(=O)[N-]C(=O)c1cccc(SC)n1	ZINC000842779832	642950419	/nfs/dbraw/zinc/95/04/19/642950419.db2.gz	ILHITRYOTWAJOA-UHFFFAOYSA-N	-1	0	284.362	0.886	20	30		CCEDRM
N#Cc1ccc(CS(=O)(=O)NC[C@@H](F)C(=O)[O-])cc1	ZINC000844800058	643249678	/nfs/dbraw/zinc/24/96/78/643249678.db2.gz	WCUFFLQKMLGZCJ-SNVBAGLBSA-N	-1	0	286.284	0.400	20	30		CCEDRM
N#Cc1ccc(S(=O)(=O)[N-]C(=O)[C@H]2[C@@H]3COC[C@@H]32)cc1	ZINC000850732859	643810483	/nfs/dbraw/zinc/81/04/83/643810483.db2.gz	GCLUXNXNAXQJGO-GDNZZTSVSA-N	-1	0	292.316	0.256	20	30		CCEDRM
C[C@H](CC#N)C(=O)[N-]S(=O)(=O)c1cccc(C#N)c1	ZINC000850739102	643811295	/nfs/dbraw/zinc/81/12/95/643811295.db2.gz	HEBQHPWWUPPGSW-SECBINFHSA-N	-1	0	277.305	0.913	20	30		CCEDRM
C[C@H](CC#N)C(=O)[N-]S(=O)(=O)CC1(C#N)CC1	ZINC000850940848	643823637	/nfs/dbraw/zinc/82/36/37/643823637.db2.gz	VUPUNYKZDDWAAG-MRVPVSSYSA-N	-1	0	255.299	0.286	20	30		CCEDRM
C[C@@H](CC#N)C(=O)[N-]S(=O)(=O)C[C@H]1CCCOC1	ZINC000851016900	643826576	/nfs/dbraw/zinc/82/65/76/643826576.db2.gz	JRZZJKJZCSZZFS-UWVGGRQHSA-N	-1	0	274.342	0.409	20	30		CCEDRM
Cc1ccncc1S(=O)(=O)[N-]C(=O)[C@@H](C)CC#N	ZINC000851088781	643832027	/nfs/dbraw/zinc/83/20/27/643832027.db2.gz	PJTOKXAUMMDYOJ-VIFPVBQESA-N	-1	0	267.310	0.745	20	30		CCEDRM
N#Cc1ccc(C(=O)[N-]S(=O)(=O)CC(F)F)s1	ZINC000851362407	643843338	/nfs/dbraw/zinc/84/33/38/643843338.db2.gz	ZTNVKSCXYTXQLF-UHFFFAOYSA-N	-1	0	280.277	0.944	20	30		CCEDRM
Cc1cc(=O)[n-]c(N=NCC2CCS(=O)(=O)CC2)n1	ZINC000853253895	644095205	/nfs/dbraw/zinc/09/52/05/644095205.db2.gz	IPPBRKOPMIKRSU-UHFFFAOYSA-N	-1	0	284.341	0.713	20	30		CCEDRM
C#CCCCC[N-]S(=O)(=O)c1cc(C(=O)OC)no1	ZINC000859062468	644663589	/nfs/dbraw/zinc/66/35/89/644663589.db2.gz	XYTHRDUJIILVMZ-UHFFFAOYSA-N	-1	0	286.309	0.543	20	30		CCEDRM
C[C@@H]1C[C@H](C(=O)[O-])CCC1=Nn1ccc(=O)[nH]c1=O	ZINC000863182347	645067687	/nfs/dbraw/zinc/06/76/87/645067687.db2.gz	ITGHVDPOMOGYPZ-HTQZYQBOSA-N	-1	0	265.269	0.674	20	30		CCEDRM
N#C[C@@]1(C(=O)[N-]O[C@@H]2CCCCO2)CCCOC1	ZINC000865080094	645320458	/nfs/dbraw/zinc/32/04/58/645320458.db2.gz	JAINHEWNQKFXJP-PWSUYJOCSA-N	-1	0	254.286	0.881	20	30		CCEDRM
Cn1cc(S(=O)(=O)[N-]C(=O)C2CCC2)cc1C(N)=O	ZINC000042345799	649287838	/nfs/dbraw/zinc/28/78/38/649287838.db2.gz	KMTIATBUOFIZSX-UHFFFAOYSA-N	-1	0	285.325	0.569	20	30		CCEDRM
Cn1nccc1C(=O)[N-]S(=O)(=O)c1ccc(C#N)cc1	ZINC000159633265	649323196	/nfs/dbraw/zinc/32/31/96/649323196.db2.gz	JYSKWLZOYYCTFO-UHFFFAOYSA-N	-1	0	290.304	0.410	20	30		CCEDRM
C=CCN(CC(=O)[O-])C(=O)Cn1c(=O)[nH]c2ccccc21	ZINC000191255644	649470652	/nfs/dbraw/zinc/47/06/52/649470652.db2.gz	NUHYTTMZWFHFQT-UHFFFAOYSA-N	-1	0	289.291	0.429	20	30		CCEDRM
C=CCN(CC(=O)[O-])C(=O)c1ccc(N)c([N+](=O)[O-])c1	ZINC000191260932	649471121	/nfs/dbraw/zinc/47/11/21/649471121.db2.gz	GTWJILQWDORRJO-UHFFFAOYSA-N	-1	0	279.252	0.890	20	30		CCEDRM
CCO[C@@H]1C[C@H]1C(=O)C(C#N)=C([O-])c1nccn1C	ZINC000245913380	649658813	/nfs/dbraw/zinc/65/88/13/649658813.db2.gz	DSTBENVJVFRYEM-KXUCPTDWSA-N	-1	0	261.281	0.737	20	30		CCEDRM
C=CCOC[C@@H](CS(=O)(=O)[O-])Oc1cccc(C#N)n1	ZINC001230044300	805578460	/nfs/dbraw/zinc/57/84/60/805578460.db2.gz	ZGFCYBWJPYLHAO-NSHDSACASA-N	-1	0	298.320	0.791	20	30		CCEDRM
C=C(Cl)CN(C)CCNC(=O)[C@H]1C[C@H]1C(=O)[O-]	ZINC001573338606	962876800	/nfs/dbraw/zinc/87/68/00/962876800.db2.gz	FDQMNRNJHNAXEV-DTWKUNHWSA-N	-1	0	260.721	0.508	20	30		CCEDRM
C=C(C)COCCNC(=O)N[C@H]1C[C@H](C(=O)[O-])C1	ZINC000693029871	790669304	/nfs/dbraw/zinc/66/93/04/790669304.db2.gz	JTADQUACDJAQFL-MGCOHNPYSA-N	-1	0	256.302	0.742	20	30		CCEDRM
CC(=O)N(C)C1CN(Cc2cc(C#N)ccc2[O-])C1	ZINC001232679681	805968749	/nfs/dbraw/zinc/96/87/49/805968749.db2.gz	QXRNWJJSFDUHCO-UHFFFAOYSA-N	-1	0	259.309	0.926	20	30		CCEDRM
CC(C)(C#N)C(=O)NC(=N)SCCS(=O)(=O)[O-]	ZINC001143403732	791292903	/nfs/dbraw/zinc/29/29/03/791292903.db2.gz	PYHDTFOTSHONJT-UHFFFAOYSA-N	-1	0	279.343	0.208	20	30		CCEDRM
N#Cc1ccc(CN2CC3(C2)CS(=O)C3)c(O)c1	ZINC001233384119	806053846	/nfs/dbraw/zinc/05/38/46/806053846.db2.gz	HNKCOWLOQZCOGT-UHFFFAOYSA-N	-1	0	262.334	0.828	20	30		CCEDRM
NC(=NC(=O)C(=O)[O-])c1ccc2cc(O)ccc2c1	ZINC001143422771	791466718	/nfs/dbraw/zinc/46/67/18/791466718.db2.gz	OAFOIVAKMZZJMK-UHFFFAOYSA-N	-1	0	258.233	0.862	20	30		CCEDRM
C#C[C@@H](Oc1n[n-]c(=O)cc1Cl)C(=O)OCC	ZINC001233588035	806087125	/nfs/dbraw/zinc/08/71/25/806087125.db2.gz	AHDUNSYOGGAEPO-SSDOTTSWSA-N	-1	0	256.645	0.779	20	30		CCEDRM
C=CCOC[C@H](CS(=O)(=O)[O-])Oc1nc(C)c[nH]1	ZINC001234092421	806182067	/nfs/dbraw/zinc/18/20/67/806182067.db2.gz	AXNBWMOFWGWKQP-SECBINFHSA-N	-1	0	276.314	0.556	20	30		CCEDRM
C#C[C@@H](CC)Oc1c(C(=O)OC)n[n-]c1C(=O)OC	ZINC001234191230	806201313	/nfs/dbraw/zinc/20/13/13/806201313.db2.gz	XYVHNNRHTXBJOK-ZETCQYMHSA-N	-1	0	266.253	0.774	20	30		CCEDRM
CCC(F)(F)CNc1[n-]c(=O)n(C)c(=O)c1C#N	ZINC001120867986	798951636	/nfs/dbraw/zinc/95/16/36/798951636.db2.gz	SOIZKMHCFKTCTN-UHFFFAOYSA-N	-1	0	258.228	0.402	20	30		CCEDRM
CN(C[Si](C)(C)C)c1[n-]c(=O)n(C)c(=O)c1C#N	ZINC001120875551	798953839	/nfs/dbraw/zinc/95/38/39/798953839.db2.gz	WEJQXQIMXXYMCF-UHFFFAOYSA-N	-1	0	266.377	0.259	20	30		CCEDRM
Cn1c(=O)[n-]c(N[C@@H]2CCCC[C@@H]2F)c(C#N)c1=O	ZINC001120951171	798967199	/nfs/dbraw/zinc/96/71/99/798967199.db2.gz	GAIQBBXNWPOPRL-DTWKUNHWSA-N	-1	0	266.276	0.638	20	30		CCEDRM
C=CCn1c(-c2cc(=O)n(C)[n-]2)nnc1N1CCOCC1	ZINC001121643169	799061820	/nfs/dbraw/zinc/06/18/20/799061820.db2.gz	BLDIOYOPGDZRQF-UHFFFAOYSA-N	-1	0	290.327	0.407	20	30		CCEDRM
N#CC(C(=O)NC1CCCC1)=C([O-])c1ccc(C(N)=O)o1	ZINC001122499962	799250652	/nfs/dbraw/zinc/25/06/52/799250652.db2.gz	QPXQOYQJSYBBAC-SECBINFHSA-N	-1	0	289.291	0.760	20	30		CCEDRM
COc1cncc(C([O-])=C(C#N)c2nccn2C)n1	ZINC001122517488	799255640	/nfs/dbraw/zinc/25/56/40/799255640.db2.gz	CNWOJNKIIPGWFL-MRVPVSSYSA-N	-1	0	257.253	0.709	20	30		CCEDRM
Cc1nc2ccnn2cc1C([O-])=C(C#N)C(=O)N1CCCC1	ZINC001122533426	799258042	/nfs/dbraw/zinc/25/80/42/799258042.db2.gz	LTQDCGMJTFVSTL-NSHDSACASA-N	-1	0	297.318	0.983	20	30		CCEDRM
Cn1ccnc1C([O-])=C(C#N)C(=O)COCc1ccncc1	ZINC001122727491	799291331	/nfs/dbraw/zinc/29/13/31/799291331.db2.gz	MKCCSHZJPPFOHB-GFCCVEGCSA-N	-1	0	298.302	0.923	20	30		CCEDRM
C=CCOC[C@@H](NC(=O)[C@@H]1CCOC(C)(C)C1)C(=O)[O-]	ZINC001123380096	799400977	/nfs/dbraw/zinc/40/09/77/799400977.db2.gz	KVOKRPHKQOOTJS-GHMZBOCLSA-N	-1	0	285.340	0.964	20	30		CCEDRM
Cc1cc(C)nc(-n2[n-]c(C(=O)N[C@@H](C)C#N)cc2=O)n1	ZINC001138235582	799712994	/nfs/dbraw/zinc/71/29/94/799712994.db2.gz	OGNWGFBZDSWOQL-VIFPVBQESA-N	-1	0	286.295	0.214	20	30		CCEDRM
Cc1cc(C#N)c(=O)[n-]c1C(=O)NCCNC(=O)C1CC1	ZINC001142392943	800120151	/nfs/dbraw/zinc/12/01/51/800120151.db2.gz	JOPVSVCTVNCEOR-UHFFFAOYSA-N	-1	0	288.307	0.223	20	30		CCEDRM
N#C[C@@H](NC(=O)c1cc2cccc(O)c2cc1O)C(N)=O	ZINC001149656002	800288646	/nfs/dbraw/zinc/28/86/46/800288646.db2.gz	BIWBFMDBCYTPIO-SNVBAGLBSA-N	-1	0	285.259	0.358	20	30		CCEDRM
COC(=O)NCCC(=O)NOc1cccc(C#N)c1	ZINC001151431782	800425317	/nfs/dbraw/zinc/42/53/17/800425317.db2.gz	IGWFVWSTLIKCNN-UHFFFAOYSA-N	-1	0	263.253	0.714	20	30		CCEDRM
NC(=NC(=O)c1nc2nc(Cl)ccc2[n-]1)c1ncc[nH]1	ZINC001155182587	800924444	/nfs/dbraw/zinc/92/44/44/800924444.db2.gz	JFAHLFCUAIKZKN-UHFFFAOYSA-N	-1	0	289.686	0.880	20	30		CCEDRM
N#Cc1c[nH]c2nc(N[C@@H]3SC(=O)[N-]C3=O)ncc12	ZINC001155842036	801063919	/nfs/dbraw/zinc/06/39/19/801063919.db2.gz	IXLRSMGRIBCWOE-MRVPVSSYSA-N	-1	0	274.265	0.551	20	30		CCEDRM
N#C[C@@H]1C[C@H](F)CN1c1nccnc1CC(=O)[O-]	ZINC001157479674	801395765	/nfs/dbraw/zinc/39/57/65/801395765.db2.gz	IWQYCNNDGNETEX-YUMQZZPRSA-N	-1	0	250.233	0.544	20	30		CCEDRM
N=C(Nc1nccnc1CC(=O)[O-])c1ccc(C(N)=O)cc1	ZINC001160083244	801906516	/nfs/dbraw/zinc/90/65/16/801906516.db2.gz	XDYOVMVRKZCNMH-UHFFFAOYSA-N	-1	0	299.290	0.240	20	30		CCEDRM
C=CCS(=O)(=O)[N-]c1cncnc1C(=O)OCC	ZINC001259922594	808804113	/nfs/dbraw/zinc/80/41/13/808804113.db2.gz	CTSXVQKEESKFLF-UHFFFAOYSA-N	-1	0	271.298	0.581	20	30		CCEDRM
C=C[C@@H]1C[C@]1([N-]S(=O)(=O)C(F)F)C(=O)OCC	ZINC001259961237	808825414	/nfs/dbraw/zinc/82/54/14/808825414.db2.gz	BRUJAWRDHNONLD-HZGVNTEJSA-N	-1	0	269.269	0.636	20	30		CCEDRM
CC(C)C[C@H]([N-]S(=O)(=O)C(F)F)C(=O)NO	ZINC001259965085	808828534	/nfs/dbraw/zinc/82/85/34/808828534.db2.gz	VEFSYVARGHNJQK-YFKPBYRVSA-N	-1	0	260.262	0.049	20	30		CCEDRM
N#Cc1cc(NCC[N-]C(=O)C(F)(F)F)ccn1	ZINC001164244089	802696385	/nfs/dbraw/zinc/69/63/85/802696385.db2.gz	UAPXQGGJKUGLEA-UHFFFAOYSA-N	-1	0	258.203	0.466	20	30		CCEDRM
C#CCCCCC(=O)NCC1(NCc2n[nH]c(=O)[n-]2)CC1	ZINC001269401453	813358678	/nfs/dbraw/zinc/35/86/78/813358678.db2.gz	CZADBEBGBGBKIB-UHFFFAOYSA-N	-1	0	291.355	0.442	20	30		CCEDRM
C[C@@H](C#N)S(=O)(=O)[N-]c1cccc2c1c(=O)[nH][nH]c2=O	ZINC000088475111	803479882	/nfs/dbraw/zinc/47/98/82/803479882.db2.gz	ITFBBJNDAYOERJ-LURJTMIESA-N	-1	0	294.292	0.282	20	30		CCEDRM
C=C1CCN(S(=O)(=O)[C@H]2CC[C@H]2C(=O)[O-])CC1	ZINC001465110109	804109043	/nfs/dbraw/zinc/10/90/43/804109043.db2.gz	KBBPTPSIFPDWEC-ZJUUUORDSA-N	-1	0	259.327	0.831	20	30		CCEDRM
C=CCO[C@H]1CCN(S(=O)(=O)[C@H]2CC[C@H]2C(=O)[O-])C1	ZINC001465110356	804110917	/nfs/dbraw/zinc/11/09/17/804110917.db2.gz	MQWXRNQFGOTFCL-AXFHLTTASA-N	-1	0	289.353	0.456	20	30		CCEDRM
N#Cc1ccc(COC(=O)[C@@H](O)CC(=O)[O-])s1	ZINC001223288708	804964292	/nfs/dbraw/zinc/96/42/92/804964292.db2.gz	MNEXRZRLVOHVCN-QMMMGPOBSA-N	-1	0	255.251	0.499	20	30		CCEDRM
C=CCOC[C@@H](CS(=O)(=O)[O-])Oc1cccc(N)n1	ZINC001225754716	805158623	/nfs/dbraw/zinc/15/86/23/805158623.db2.gz	BANQUIKJMVJKKQ-VIFPVBQESA-N	-1	0	288.325	0.502	20	30		CCEDRM
CCOC(=O)c1c[nH]c(=O)nc1O[C@H]1CCN(CC#N)C1	ZINC001225898915	805175425	/nfs/dbraw/zinc/17/54/25/805175425.db2.gz	FYRJYIKXFXUFTC-VIFPVBQESA-N	-1	0	292.295	0.336	20	30		CCEDRM
N#Cc1cc(F)c(=O)[n-]c1O[C@H]1CO[C@H]2OCC[C@@H]12	ZINC001226009140	805185639	/nfs/dbraw/zinc/18/56/39/805185639.db2.gz	SWYCIPMXDNNCJJ-QOSJWCAFSA-N	-1	0	266.228	0.938	20	30		CCEDRM
C#C[C@@H](Oc1[n-]c(=O)cc(C)c1C#N)C(=O)OCC	ZINC001226222672	805207977	/nfs/dbraw/zinc/20/79/77/805207977.db2.gz	GJFXQRHFEOKADC-SNVBAGLBSA-N	-1	0	260.249	0.911	20	30		CCEDRM
CC1(C)COC(=O)[C@@H]1Oc1nccc(/C=N/O)n1	ZINC001226252885	805211309	/nfs/dbraw/zinc/21/13/09/805211309.db2.gz	BEECXVSTZBJPFD-XEPABTDDSA-N	-1	0	251.242	0.615	20	30		CCEDRM
CC[C@H](C#CC(=O)OC)Oc1[n-]c(=O)nc2[nH]ccc21	ZINC001227272963	805338658	/nfs/dbraw/zinc/33/86/58/805338658.db2.gz	HAZRXZNDNILJLN-MRVPVSSYSA-N	-1	0	275.264	0.997	20	30		CCEDRM
COC(=O)c1cc(=O)c(OC2=C(C)O[C@H](C)C2=O)c[n-]1	ZINC001227784427	805389211	/nfs/dbraw/zinc/38/92/11/805389211.db2.gz	VFCBABODWHHPNF-ZCFIWIBFSA-N	-1	0	279.248	0.760	20	30		CCEDRM
CCC1=C(Oc2nnc(C(=O)OC)[n-]2)C(=O)[C@@H](C)O1	ZINC001228311638	805434555	/nfs/dbraw/zinc/43/45/55/805434555.db2.gz	MEJCDLRYULLSKH-RXMQYKEDSA-N	-1	0	267.241	0.580	20	30		CCEDRM
C=CCOC[C@H](CS(=O)(=O)[O-])Oc1nccn1C	ZINC001228316205	805436252	/nfs/dbraw/zinc/43/62/52/805436252.db2.gz	YPJZAXIGSYAGBO-SECBINFHSA-N	-1	0	276.314	0.258	20	30		CCEDRM
C=C[C@@H]1O[C@@H](Oc2cnnc(=S)[n-]2)[C@H]2OC(C)(C)O[C@@H]12	ZINC001228636735	805461328	/nfs/dbraw/zinc/46/13/28/805461328.db2.gz	QRDHWOOWHJHOBX-LKEDHPFLSA-N	-1	0	297.336	0.970	20	30		CCEDRM
C=C1O[C@@H](C)C(=O)C1Oc1[n-]c(=O)nc2ncn(C)c21	ZINC001228676545	805467132	/nfs/dbraw/zinc/46/71/32/805467132.db2.gz	JHORMRGMMPJRDA-YFKPBYRVSA-N	-1	0	276.252	0.667	20	30		CCEDRM
N#Cc1c[nH]c2nc(-c3cnn(CC(=O)[O-])c3)ncc12	ZINC001242181913	806993906	/nfs/dbraw/zinc/99/39/06/806993906.db2.gz	OAFHTRAUUKLAQE-UHFFFAOYSA-N	-1	0	268.236	0.778	20	30		CCEDRM
C=C(C)C(=O)NCCC[N-]S(=O)(=O)CC(F)(F)F	ZINC001253218165	808037415	/nfs/dbraw/zinc/03/74/15/808037415.db2.gz	OCLINTLNENDTSZ-UHFFFAOYSA-N	-1	0	288.291	0.551	20	30		CCEDRM
CCS(=O)(=O)[N-]c1nc(C)c(C#N)cc1C#N	ZINC001253276955	808042205	/nfs/dbraw/zinc/04/22/05/808042205.db2.gz	CBYIAGJOCOHVFD-UHFFFAOYSA-N	-1	0	250.283	0.895	20	30		CCEDRM
C#CC[S@](=O)Cc1cn(C(C)(C)CC(=O)[O-])nn1	ZINC001254094395	808180403	/nfs/dbraw/zinc/18/04/03/808180403.db2.gz	VCANHDJNGSRUKH-SFHVURJKSA-N	-1	0	269.326	0.370	20	30		CCEDRM
N#CCSCC(=O)[N-]S(=O)(=O)Cc1cccnc1	ZINC001254971891	808304775	/nfs/dbraw/zinc/30/47/75/808304775.db2.gz	TWZKBJXNTLAKII-UHFFFAOYSA-N	-1	0	285.350	0.284	20	30		CCEDRM
C=CC[C@@H](NC(=O)COc1c(C)nn(C)c1C)C(=O)[O-]	ZINC001256550999	808533020	/nfs/dbraw/zinc/53/30/20/808533020.db2.gz	MCRUMJUDAQDVQS-SNVBAGLBSA-N	-1	0	281.312	0.561	20	30		CCEDRM
COC(=O)CS(=O)(=O)[N-]c1cc(F)ccc1C#N	ZINC001259024693	808722756	/nfs/dbraw/zinc/72/27/56/808722756.db2.gz	DZFDBMOPVMHUOT-UHFFFAOYSA-N	-1	0	272.257	0.612	20	30		CCEDRM
COC(=O)n1ncc(C#N)c1[N-]S(=O)(=O)CC(C)C	ZINC001259888301	808793138	/nfs/dbraw/zinc/79/31/38/808793138.db2.gz	AGODKWKIFUXOQO-UHFFFAOYSA-N	-1	0	286.313	0.767	20	30		CCEDRM
Cn1ccc(S(=O)(=O)[N-]c2ccc(C#N)cc2C#N)n1	ZINC001259945084	808816567	/nfs/dbraw/zinc/81/65/67/808816567.db2.gz	IRIBQFURAFBJCU-UHFFFAOYSA-N	-1	0	287.304	0.964	20	30		CCEDRM
N#Cc1nc(Cl)c([N-]S(=O)(=O)C(F)F)nc1C#N	ZINC001259951385	808819280	/nfs/dbraw/zinc/81/92/80/808819280.db2.gz	WDTGNLUPSPCWPC-UHFFFAOYSA-N	-1	0	293.642	0.838	20	30		CCEDRM
COCCS(=O)(=O)[N-]c1cccc(OC)c1C#N	ZINC001259972212	808832536	/nfs/dbraw/zinc/83/25/36/808832536.db2.gz	VYRYLJDHYGEACL-UHFFFAOYSA-N	-1	0	270.310	0.955	20	30		CCEDRM
C[C@H](C#N)N(C)S(=O)(=O)c1ccc(O)c(C(=O)[O-])c1	ZINC001260397666	808859748	/nfs/dbraw/zinc/85/97/48/808859748.db2.gz	DPECCIXTLLRSQF-SSDOTTSWSA-N	-1	0	284.293	0.623	20	30		CCEDRM
CC[C@H](C#N)NS(=O)(=O)c1ccc(O)c(C(=O)[O-])c1	ZINC001260402563	808860319	/nfs/dbraw/zinc/86/03/19/808860319.db2.gz	OLPFZHMXPMPGEH-SSDOTTSWSA-N	-1	0	284.293	0.671	20	30		CCEDRM
N#CC1(NS(=O)(=O)c2ccc(O)c(C(=O)[O-])c2)CCC1	ZINC001260392415	808860361	/nfs/dbraw/zinc/86/03/61/808860361.db2.gz	SKGDHEHXGNRINB-UHFFFAOYSA-N	-1	0	296.304	0.815	20	30		CCEDRM
Cc1cnc([N-]S(=O)(=O)c2cn[nH]c2)c(C#N)c1	ZINC001260954097	808886233	/nfs/dbraw/zinc/88/62/33/808886233.db2.gz	CZTXQSIPRJIJQY-UHFFFAOYSA-N	-1	0	263.282	0.786	20	30		CCEDRM
Cc1coc([N-]S(=O)(=O)c2cn[nH]c2)c1C#N	ZINC001260955016	808888569	/nfs/dbraw/zinc/88/85/69/808888569.db2.gz	KAEHNFGJCFJOOK-UHFFFAOYSA-N	-1	0	252.255	0.984	20	30		CCEDRM
CCCO[N-]C(=O)C(=O)Nc1cc(C)n(CCC#N)n1	ZINC001261461811	808984676	/nfs/dbraw/zinc/98/46/76/808984676.db2.gz	YOHUJINGRKKUFF-UHFFFAOYSA-N	-1	0	279.300	0.502	20	30		CCEDRM
C#CCSCC(=O)[N-]S(=O)(=O)[C@@H]1C[C@@H]2CC[C@H]1C2	ZINC001262102661	809191621	/nfs/dbraw/zinc/19/16/21/809191621.db2.gz	SQDPBROIXLJTIX-OUAUKWLOSA-N	-1	0	287.406	0.987	20	30		CCEDRM
C=CCN(CC(=O)[O-])C(=O)c1cc(CN2CCCC2)on1	ZINC001262176843	809223066	/nfs/dbraw/zinc/22/30/66/809223066.db2.gz	BEKPMONXCPCDHE-UHFFFAOYSA-N	-1	0	293.323	0.983	20	30		CCEDRM
C=CC[C@H](NC(=O)CCc1cnn(C)c1C)C(=O)[O-]	ZINC001262177587	809223343	/nfs/dbraw/zinc/22/33/43/809223343.db2.gz	ZUMRELAVUUROLP-NSHDSACASA-N	-1	0	265.313	0.807	20	30		CCEDRM
CC[C@](C)(CNc1[n-]c(=O)n(C)c(=O)c1C#N)OC	ZINC001262698016	809398798	/nfs/dbraw/zinc/39/87/98/809398798.db2.gz	HLFJTQPSQXLARW-GFCCVEGCSA-N	-1	0	266.301	0.172	20	30		CCEDRM
CC#Cc1cncc(N[C@@H]2C(=O)N(S(=O)(=O)[O-])[C@H]2C)c1	ZINC001167860642	812321181	/nfs/dbraw/zinc/32/11/81/812321181.db2.gz	CAPSSORSIZGPKP-KWQFWETISA-N	-1	0	295.320	0.267	20	30		CCEDRM
C[C@@H](CNCC#N)NC(=O)c1ccc2oc(=O)nc-2[n-]1	ZINC001268711785	813028296	/nfs/dbraw/zinc/02/82/96/813028296.db2.gz	VANQHXPZIGYEKK-ZETCQYMHSA-N	-1	0	275.268	0.160	20	30		CCEDRM
N#CCN1CC[C@@H](Oc2n[n-]c(=O)cc2Br)C1	ZINC001226848800	814181421	/nfs/dbraw/zinc/18/14/21/814181421.db2.gz	HMFQVFUHVYPTHB-SSDOTTSWSA-N	-1	0	299.128	0.921	20	30		CCEDRM
N#Cc1cc(C#N)cc(OC(=O)[C@H](O)CC(=O)[O-])c1	ZINC001226896129	814203615	/nfs/dbraw/zinc/20/36/15/814203615.db2.gz	IXDDZIVASWLRPT-SNVBAGLBSA-N	-1	0	260.205	0.171	20	30		CCEDRM
C=CCOC[C@@H](CS(=O)(=O)[O-])OCC#CC1CC1	ZINC001224850190	815610785	/nfs/dbraw/zinc/61/07/85/815610785.db2.gz	LRJDLURSUNRYPA-LBPRGKRZSA-N	-1	0	274.338	0.875	20	30		CCEDRM
C=CCN1CC(NC(=O)Cc2cc(=O)n(CC(C)C)[n-]2)C1	ZINC001030624600	816159222	/nfs/dbraw/zinc/15/92/22/816159222.db2.gz	NJIHQXDFKMTLHC-UHFFFAOYSA-N	-1	0	292.383	0.361	20	30		CCEDRM
C=CCC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1n[nH]c(C)c1[O-]	ZINC001032358971	817983976	/nfs/dbraw/zinc/98/39/76/817983976.db2.gz	ORZOVQAKKLWVEZ-QWRGUYRKSA-N	-1	0	276.340	0.899	20	30		CCEDRM
CNC(=O)C(C#N)=C([O-])c1ccc(-n2cccn2)cc1	ZINC000133298346	818677688	/nfs/dbraw/zinc/67/76/88/818677688.db2.gz	CUGSCQXIXGJUFG-GFCCVEGCSA-N	-1	0	268.276	0.941	20	30		CCEDRM
C#CCCCNC(=O)N1C[C@H](OC)C[C@@]1(C)C(=O)[O-]	ZINC000702732149	819169338	/nfs/dbraw/zinc/16/93/38/819169338.db2.gz	PASSRVWYQCTIFU-MFKMUULPSA-N	-1	0	268.313	0.673	20	30		CCEDRM
Cc1[nH]nc(C(=O)N2CC[C@@H]3[C@H](CCN3CC#N)C2)c1[O-]	ZINC001036691595	820022483	/nfs/dbraw/zinc/02/24/83/820022483.db2.gz	RWUBWBCAADFYPA-GHMZBOCLSA-N	-1	0	289.339	0.484	20	30		CCEDRM
C=CC[C@@H](NC(=O)[C@H]1CCc2ncncc2C1)C(=O)[O-]	ZINC001118219305	820109495	/nfs/dbraw/zinc/10/94/95/820109495.db2.gz	VOLRAEQEYSUDDK-JOYOIKCWSA-N	-1	0	275.308	0.727	20	30		CCEDRM
O=c1[n-][nH]c(=O)n1N=Cc1cccc2c1CCOC2	ZINC001119298475	821090306	/nfs/dbraw/zinc/09/03/06/821090306.db2.gz	CRXFTUGXDKILMO-UHFFFAOYSA-N	-1	0	260.253	0.644	20	30		CCEDRM
C=C[C@@H]1CCCCN1Cc1cn(CC(=O)[O-])nn1	ZINC001119607257	821392196	/nfs/dbraw/zinc/39/21/96/821392196.db2.gz	VPXNPFPBUNYSFZ-LLVKDONJSA-N	-1	0	250.302	0.903	20	30		CCEDRM
C=CC[C@H](NC(=O)[C@H]1CCc2cnn(C)c2C1)C(=O)[O-]	ZINC001119645622	821408659	/nfs/dbraw/zinc/40/86/59/821408659.db2.gz	WPUIVZXWZXKUEF-ONGXEEELSA-N	-1	0	277.324	0.671	20	30		CCEDRM
O=C(CCC(=O)C1=CC=C[CH]1)Nc1c(O)nc[nH]c1=O	ZINC001184241410	844186248	/nfs/dbraw/zinc/18/62/48/844186248.db2.gz	SLLIVEZOGOUQLA-UHFFFAOYSA-N	-1	0	274.256	0.876	20	30		CCEDRM
O=C(CCC(=O)C1=CC=C[CH]1)N[C@@H]1CCS(=O)(=O)C1	ZINC001184244717	844187779	/nfs/dbraw/zinc/18/77/79/844187779.db2.gz	UCCITKSPCOVNSV-LLVKDONJSA-N	-1	0	282.341	0.339	20	30		CCEDRM
C=C[C@H](C)[C@@H](C)C(=O)N1CCN(Cc2n[nH]c(=O)[n-]2)CC1	ZINC001113229044	837063281	/nfs/dbraw/zinc/06/32/81/837063281.db2.gz	BQVLUFPRGPVDGM-WDEREUQCSA-N	-1	0	293.371	0.613	20	30		CCEDRM
C[C@H](NC(=O)c1cn[nH]n1)[C@H](C)Nc1ccc(C#N)nc1	ZINC001113356266	837094832	/nfs/dbraw/zinc/09/48/32/837094832.db2.gz	DJUXLTAJBLQLBY-IUCAKERBSA-N	-1	0	285.311	0.690	20	30		CCEDRM
C=CCC(C)(C)C(=O)N1CCN(Cc2n[nH]c(=O)[n-]2)CC1	ZINC001113388900	837107594	/nfs/dbraw/zinc/10/75/94/837107594.db2.gz	XPIMIXJGJXHPHP-UHFFFAOYSA-N	-1	0	293.371	0.757	20	30		CCEDRM
CO[N-]C(=O)CNC(=O)[C@H](CC#N)c1ccccc1	ZINC001134416830	838973642	/nfs/dbraw/zinc/97/36/42/838973642.db2.gz	BVBBXAISASTPGH-LLVKDONJSA-N	-1	0	261.281	0.478	20	30		CCEDRM
CCOC(=O)c1cnc(NC(=O)C#CCOC)[n-]1	ZINC001187122428	844654394	/nfs/dbraw/zinc/65/43/94/844654394.db2.gz	RPRPPCAKJLLIKN-UHFFFAOYSA-N	-1	0	251.242	0.175	20	30		CCEDRM
C=CCN(CC=C)C(=O)c1cccc(-n2[n-]nnc2=N)c1	ZINC001135409266	839242531	/nfs/dbraw/zinc/24/25/31/839242531.db2.gz	VUGMEBOLJZYODE-UHFFFAOYSA-N	-1	0	284.323	0.889	20	30		CCEDRM
CC(C)C[C@H](C#N)NC(=O)CCCc1nnn[n-]1	ZINC001136527824	839651002	/nfs/dbraw/zinc/65/10/02/839651002.db2.gz	KJWLIOBJLOCGAE-SECBINFHSA-N	-1	0	250.306	0.577	20	30		CCEDRM
N#Cc1c(F)ccnc1NCC(=O)CCC(=O)[O-]	ZINC001160874585	840248609	/nfs/dbraw/zinc/24/86/09/840248609.db2.gz	QERZTQHCIJXUAG-UHFFFAOYSA-N	-1	0	251.217	0.938	20	30		CCEDRM
C=CCOCCNC(=O)N1CC(F)(F)C[C@H]1C(=O)[O-]	ZINC000713576751	841145231	/nfs/dbraw/zinc/14/52/31/841145231.db2.gz	XDHWHBVQZJHYLR-QMMMGPOBSA-N	-1	0	278.255	0.693	20	30		CCEDRM
CNC(=O)c1ccc(NC(=N[O-])c2nonc2N)cc1	ZINC001174512435	842189848	/nfs/dbraw/zinc/18/98/48/842189848.db2.gz	XPAWRPJNNSCLBP-UHFFFAOYSA-N	-1	0	276.256	0.259	20	30		CCEDRM
N#Cc1c[nH]c2cc(NC(=O)Cc3nnn[n-]3)ccc12	ZINC001176845348	842445114	/nfs/dbraw/zinc/44/51/14/842445114.db2.gz	SINWXEHIAMWIRX-UHFFFAOYSA-N	-1	0	267.252	0.734	20	30		CCEDRM
COC(=O)[C@H](CS)NC(=O)C1(C(=O)[O-])CCCCC1	ZINC001180438393	843166954	/nfs/dbraw/zinc/16/69/54/843166954.db2.gz	GDNSJIPIOOARPP-QMMMGPOBSA-N	-1	0	289.353	0.609	20	30		CCEDRM
CCOCCS(=O)(=O)[N-]c1nc(C)c(C#N)cc1C#N	ZINC001187246335	844678345	/nfs/dbraw/zinc/67/83/45/844678345.db2.gz	NDPTXWSGMOIUDF-UHFFFAOYSA-N	-1	0	294.336	0.912	20	30		CCEDRM
N#Cc1cnc2ccnn2c1[N-]S(=O)(=O)c1c[nH]cn1	ZINC001187731984	844746161	/nfs/dbraw/zinc/74/61/61/844746161.db2.gz	SHFUDIFOBLIRFE-UHFFFAOYSA-N	-1	0	289.280	0.125	20	30		CCEDRM
N#Cc1cc([N-]S(=O)(=O)c2c[nH]cn2)ccc1O	ZINC001187760871	844768148	/nfs/dbraw/zinc/76/81/48/844768148.db2.gz	CGJIRIKYRDDIHP-UHFFFAOYSA-N	-1	0	264.266	0.788	20	30		CCEDRM
Cn1ncc(C#N)c1[N-]S(=O)(=O)c1nccs1	ZINC001187857574	844784280	/nfs/dbraw/zinc/78/42/80/844784280.db2.gz	LPUWUOMSHKZXNV-UHFFFAOYSA-N	-1	0	269.311	0.549	20	30		CCEDRM
N#CCCN1CCN(C(=O)c2ccncc2[O-])CC1	ZINC001188629222	844940137	/nfs/dbraw/zinc/94/01/37/844940137.db2.gz	DLCYTGBVANTXGD-UHFFFAOYSA-N	-1	0	260.297	0.459	20	30		CCEDRM
N#Cc1cncc([N-]S(=O)(=O)c2ncc(F)cc2F)n1	ZINC001190141152	845329502	/nfs/dbraw/zinc/32/95/02/845329502.db2.gz	HSPIJSXJNPEWQD-UHFFFAOYSA-N	-1	0	297.246	0.822	20	30		CCEDRM
C=C[C@@H](CO)[N-]S(=O)(=O)c1ncc(F)cc1F	ZINC001190207804	845367224	/nfs/dbraw/zinc/36/72/24/845367224.db2.gz	XMJJKABDBUSXKK-ZETCQYMHSA-N	-1	0	264.253	0.185	20	30		CCEDRM
N#Cc1ccc([N-]S(=O)(=O)c2ncc[nH]2)c(O)c1	ZINC001190731889	845481515	/nfs/dbraw/zinc/48/15/15/845481515.db2.gz	VATKDZZYJCMPBZ-UHFFFAOYSA-N	-1	0	264.266	0.788	20	30		CCEDRM
N#CNC(=NS(=O)(=O)c1ncc[n-]1)c1ccncc1	ZINC001190739932	845484236	/nfs/dbraw/zinc/48/42/36/845484236.db2.gz	SAFZBICCHKZBMB-UHFFFAOYSA-N	-1	0	276.281	0.011	20	30		CCEDRM
C[C@H](C#N)NS(=O)(=O)c1ccc(CCC(=O)[O-])cc1	ZINC001192158643	845795041	/nfs/dbraw/zinc/79/50/41/845795041.db2.gz	IISQDCGJPXRTJD-SECBINFHSA-N	-1	0	282.321	0.894	20	30		CCEDRM
COC(=O)c1ccc([O-])c(C(=O)N2CCO[C@H](C#N)C2)c1	ZINC001192386699	845833450	/nfs/dbraw/zinc/83/34/50/845833450.db2.gz	NAZCCFBLFDNLBH-SNVBAGLBSA-N	-1	0	290.275	0.543	20	30		CCEDRM
COC(=O)c1nc(Cl)ccc1[N-]S(=O)(=O)CC#N	ZINC001192944134	845931006	/nfs/dbraw/zinc/93/10/06/845931006.db2.gz	ZFVUURXLGXQEBA-UHFFFAOYSA-N	-1	0	289.700	0.787	20	30		CCEDRM
N#CCS(=O)(=O)[N-]c1c(Cl)nccc1C(N)=O	ZINC001192939049	845943844	/nfs/dbraw/zinc/94/38/44/845943844.db2.gz	KWZUOBGDWAIONY-UHFFFAOYSA-N	-1	0	274.689	0.099	20	30		CCEDRM
COC(=O)c1cc([N-]S(=O)(=O)CC#N)ccc1C#N	ZINC001192986077	845944935	/nfs/dbraw/zinc/94/49/35/845944935.db2.gz	UDJYBCNOTSVBKH-UHFFFAOYSA-N	-1	0	279.277	0.610	20	30		CCEDRM
N#CCS(=O)(=O)Nc1ccc(CN2CCOCC2)cc1	ZINC001192972341	845957619	/nfs/dbraw/zinc/95/76/19/845957619.db2.gz	TWRQMXFJAZVPLR-UHFFFAOYSA-N	-1	0	295.364	0.784	20	30		CCEDRM
COc1ccc(NC(C)=O)c([N-]S(=O)(=O)CC#N)c1	ZINC001192978700	845959190	/nfs/dbraw/zinc/95/91/90/845959190.db2.gz	AMHOMXPOOSGGSK-UHFFFAOYSA-N	-1	0	283.309	0.919	20	30		CCEDRM
COc1ccc(C#N)c([N-]S(=O)(=O)CC#N)c1	ZINC001192978905	845961455	/nfs/dbraw/zinc/96/14/55/845961455.db2.gz	NAHPTSJMIOIPSX-UHFFFAOYSA-N	-1	0	251.267	0.832	20	30		CCEDRM
COC(=O)c1ccc(OC)cc1[N-]S(=O)(=O)CC#N	ZINC001192980016	845962573	/nfs/dbraw/zinc/96/25/73/845962573.db2.gz	ANJNZMBHZMFODW-UHFFFAOYSA-N	-1	0	284.293	0.747	20	30		CCEDRM
C[C@@H](C#N)S(=O)(=O)[N-]c1cc2n(n1)CC(F)(F)CO2	ZINC001193111253	845981052	/nfs/dbraw/zinc/98/10/52/845981052.db2.gz	FABBBQJBWCXYNX-LURJTMIESA-N	-1	0	292.267	0.565	20	30		CCEDRM
C[C@@H](C#N)S(=O)(=O)[N-]c1cnn(C(F)F)c1	ZINC001193111239	845981345	/nfs/dbraw/zinc/98/13/45/845981345.db2.gz	DUIAAIRPHBYDPF-YFKPBYRVSA-N	-1	0	250.230	0.932	20	30		CCEDRM
COC(=O)c1ccc(OC)nc1[N-]S(=O)(=O)[C@@H](C)C#N	ZINC001193112230	845981583	/nfs/dbraw/zinc/98/15/83/845981583.db2.gz	PEAXOBXPMYKXKC-ZETCQYMHSA-N	-1	0	299.308	0.531	20	30		CCEDRM
CC(=O)c1cccc([N-]S(=O)(=O)[C@@H](C)C#N)n1	ZINC001193112759	845982422	/nfs/dbraw/zinc/98/24/22/845982422.db2.gz	VFORMMODABTGRU-ZETCQYMHSA-N	-1	0	253.283	0.938	20	30		CCEDRM
COC(=O)c1c(O)cccc1[N-]S(=O)(=O)[C@@H](C)C#N	ZINC001193148778	846005400	/nfs/dbraw/zinc/00/54/00/846005400.db2.gz	DZYVBVSCAMPHJS-ZETCQYMHSA-N	-1	0	284.293	0.833	20	30		CCEDRM
COc1ccc(C(N)=O)cc1[N-]S(=O)(=O)[C@H](C)C#N	ZINC001193151851	846006587	/nfs/dbraw/zinc/00/65/87/846006587.db2.gz	VDKAZTWEVACLOD-SSDOTTSWSA-N	-1	0	283.309	0.448	20	30		CCEDRM
C[C@@H](C#N)S(=O)(=O)[N-]c1ccc(O)cc1C#N	ZINC001193149398	846006683	/nfs/dbraw/zinc/00/66/83/846006683.db2.gz	NVBNEIHDZYMMFG-ZETCQYMHSA-N	-1	0	251.267	0.918	20	30		CCEDRM
C[C@@H](C#N)S(=O)(=O)[N-]c1ccc(CO)c(F)c1	ZINC001193160903	846009527	/nfs/dbraw/zinc/00/95/27/846009527.db2.gz	KJRBCLYZPNECGR-ZETCQYMHSA-N	-1	0	258.274	0.972	20	30		CCEDRM
COC(=O)[C@H]([N-]S(=O)(=O)[C@@H](C)C#N)c1ccccn1	ZINC001193168864	846011360	/nfs/dbraw/zinc/01/13/60/846011360.db2.gz	MWSXCLZQEHCYAK-WCBMZHEXSA-N	-1	0	283.309	0.127	20	30		CCEDRM
N#Cc1cccnc1[N-]S(=O)(=O)C[C@@H]1CCCO1	ZINC001193199559	846016613	/nfs/dbraw/zinc/01/66/13/846016613.db2.gz	QWVZSMBZVKKJKN-JTQLQIEISA-N	-1	0	267.310	0.874	20	30		CCEDRM
CCNC(=O)CN(C)C(=O)c1ccc([O-])c(C#N)c1	ZINC001193494839	846094009	/nfs/dbraw/zinc/09/40/09/846094009.db2.gz	PUCGIKSXPRLQAE-UHFFFAOYSA-N	-1	0	261.281	0.472	20	30		CCEDRM
COC(=O)[C@@]1(F)CCN(C(=O)c2ccc([O-])c(C#N)c2)C1	ZINC001193507397	846100889	/nfs/dbraw/zinc/10/08/89/846100889.db2.gz	VYMRTRXRYBEZFS-CQSZACIVSA-N	-1	0	292.266	0.991	20	30		CCEDRM
C[C@]1(CO)CN(C(=O)c2ccc([O-])c(C#N)c2)CC[C@@H]1O	ZINC001193505082	846101375	/nfs/dbraw/zinc/10/13/75/846101375.db2.gz	CJDBRVKBCKHUAP-DZGCQCFKSA-N	-1	0	290.319	0.469	20	30		CCEDRM
N#Cc1cc(C(=O)Nc2c[nH]c(=O)nc2N)ccc1[O-]	ZINC001193511956	846101449	/nfs/dbraw/zinc/10/14/49/846101449.db2.gz	HUFOQUVQNKQQFR-UHFFFAOYSA-N	-1	0	271.236	0.594	20	30		CCEDRM
N#Cc1cccc(C(=O)N2CC[C@H](CO)[C@@H](O)C2)c1[O-]	ZINC001193642334	846135181	/nfs/dbraw/zinc/13/51/81/846135181.db2.gz	DVVVNNUYJBHKPT-PWSUYJOCSA-N	-1	0	276.292	0.079	20	30		CCEDRM
COc1ccc(C#N)c(S(=O)(=O)[N-]c2cn(C)nn2)c1	ZINC001193644656	846135634	/nfs/dbraw/zinc/13/56/34/846135634.db2.gz	NFKZZFTVLBUQPG-UHFFFAOYSA-N	-1	0	293.308	0.496	20	30		CCEDRM
COC(=O)[C@H]1C[C@@H]1CNC(=O)c1cccc(C#N)c1[O-]	ZINC001193659357	846139407	/nfs/dbraw/zinc/13/94/07/846139407.db2.gz	LTLFJDFEABPUGK-KOLCDFICSA-N	-1	0	274.276	0.803	20	30		CCEDRM
Cc1nnc(CNC(=O)c2cccc(C#N)c2[O-])o1	ZINC001193659650	846139647	/nfs/dbraw/zinc/13/96/47/846139647.db2.gz	OZNWONYSSBANTG-UHFFFAOYSA-N	-1	0	258.237	0.885	20	30		CCEDRM
Cn1[n-]c(C(=O)NCc2ncc(C#N)s2)cc1=O	ZINC001194211876	846242013	/nfs/dbraw/zinc/24/20/13/846242013.db2.gz	XIJQVYQIDDZQRC-UHFFFAOYSA-N	-1	0	263.282	0.384	20	30		CCEDRM
O=C([O-])c1cc(S(=O)(=O)NCCS)c(F)cc1F	ZINC001195250172	846485522	/nfs/dbraw/zinc/48/55/22/846485522.db2.gz	VDFDWCTYMJPIOF-UHFFFAOYSA-N	-1	0	297.304	0.871	20	30		CCEDRM
C[C@H](C#N)NS(=O)(=O)c1cc(C(=O)[O-])c(F)cc1F	ZINC001195258890	846486818	/nfs/dbraw/zinc/48/68/18/846486818.db2.gz	SNJOYELUVWZBAL-RXMQYKEDSA-N	-1	0	290.247	0.853	20	30		CCEDRM
C=CC[C@@H](NC(=O)[C@H]1COc2ccccc2O1)C(=O)[O-]	ZINC000159537418	846573402	/nfs/dbraw/zinc/57/34/02/846573402.db2.gz	KFNBGTZUJYMCRI-BXKDBHETSA-N	-1	0	277.276	0.972	20	30		CCEDRM
N#Cc1ccc(C(=O)NC[C@H]2CNC(=O)C2)c([O-])c1	ZINC001195764947	846613313	/nfs/dbraw/zinc/61/33/13/846613313.db2.gz	UPHHXOXNTUPVMQ-SECBINFHSA-N	-1	0	259.265	0.130	20	30		CCEDRM
CCOC(=O)CS(=O)(=O)[N-]c1occ(C)c1C#N	ZINC001195941627	846645919	/nfs/dbraw/zinc/64/59/19/846645919.db2.gz	KJCJIDDVDXPCNZ-UHFFFAOYSA-N	-1	0	272.282	0.765	20	30		CCEDRM
CCOC(=O)CS(=O)(=O)[N-]c1cc(C#N)ccc1OC	ZINC001195975135	846656785	/nfs/dbraw/zinc/65/67/85/846656785.db2.gz	SYCZZSKEAQCQHP-UHFFFAOYSA-N	-1	0	298.320	0.872	20	30		CCEDRM
N#Cc1cccnc1C(=O)NCC(=O)CCC(=O)[O-]	ZINC001196562222	846778095	/nfs/dbraw/zinc/77/80/95/846778095.db2.gz	TUBVGWNLTHSRCA-UHFFFAOYSA-N	-1	0	261.237	0.117	20	30		CCEDRM
Cc1ncc(S(=O)(=O)[N-]c2oncc2C#N)n1C	ZINC001198355684	847102720	/nfs/dbraw/zinc/10/27/20/847102720.db2.gz	GDXMOVZJVQEEPV-UHFFFAOYSA-N	-1	0	267.270	0.389	20	30		CCEDRM
CO[N-]C(=O)CNC(=O)Nc1ccc(F)cc1OCC#N	ZINC001202016882	847843308	/nfs/dbraw/zinc/84/33/08/847843308.db2.gz	KWDTVSXYHDYGKN-UHFFFAOYSA-N	-1	0	296.258	0.527	20	30		CCEDRM
CN(C)C(=O)[C@@H]1CC12CN(C(=O)c1ccc([O-])c(C#N)c1)C2	ZINC001276155443	848940987	/nfs/dbraw/zinc/94/09/87/848940987.db2.gz	HQROXRCYCPEJRO-LBPRGKRZSA-N	-1	0	299.330	0.814	20	30		CCEDRM
N#Cc1cc(F)cc(S(=O)(=O)N2CC(C(=O)[O-])C2)c1	ZINC000718532854	849266607	/nfs/dbraw/zinc/26/66/07/849266607.db2.gz	MRQIUBAAWGHURZ-UHFFFAOYSA-N	-1	0	284.268	0.402	20	30		CCEDRM
CC1CC(C#N)(C(=O)N2CCC(c3nnn[n-]3)CC2)C1	ZINC000720452381	849464541	/nfs/dbraw/zinc/46/45/41/849464541.db2.gz	KNZOSHHXHPOTFF-UHFFFAOYSA-N	-1	0	274.328	0.846	20	30		CCEDRM
Cn1c(Cl)nc(Cl)c1C=NNCC(=O)[O-]	ZINC000382003076	850414473	/nfs/dbraw/zinc/41/44/73/850414473.db2.gz	KGBBGROLBLSACP-UHFFFAOYSA-N	-1	0	251.073	0.735	20	30		CCEDRM
C=CCN(CC(=O)[O-])C(=O)NC[C@@H](OC)C(C)C	ZINC000382018759	850444578	/nfs/dbraw/zinc/44/45/78/850444578.db2.gz	NLPBAAZNKRUYCC-SNVBAGLBSA-N	-1	0	258.318	0.940	20	30		CCEDRM
C[C@]1(C(=O)[O-])CCN(C(=O)Cc2ccc(C#N)nc2)C1	ZINC000901576229	851756197	/nfs/dbraw/zinc/75/61/97/851756197.db2.gz	YJJURHARDZOMSR-AWEZNQCLSA-N	-1	0	273.292	0.819	20	30		CCEDRM
COC(=O)C(F)(F)C[N-]S(=O)(=O)CC1(C#N)CC1	ZINC001364966731	895767745	/nfs/dbraw/zinc/76/77/45/895767745.db2.gz	LDIAZILUEHXPPG-UHFFFAOYSA-N	-1	0	282.268	0.018	20	30		CCEDRM
C#CC[C@@H](NC(=O)Cc1c(C)noc1C)C(=O)[O-]	ZINC000149864775	854004448	/nfs/dbraw/zinc/00/44/48/854004448.db2.gz	RWPIMDGIWYXJKA-SNVBAGLBSA-N	-1	0	250.254	0.427	20	30		CCEDRM
C#CC[C@@H](NC(=O)[C@@H]1CCCN1c1ncccn1)C(=O)[O-]	ZINC000149896490	854007024	/nfs/dbraw/zinc/00/70/24/854007024.db2.gz	IZIAXYZFPFAKIC-MNOVXSKESA-N	-1	0	288.307	0.038	20	30		CCEDRM
C#CC[C@H](NC(=O)[C@H]1Cc2ccccc2O1)C(=O)[O-]	ZINC000149935944	854007834	/nfs/dbraw/zinc/00/78/34/854007834.db2.gz	BIADNVIVYFRBFJ-CMPLNLGQSA-N	-1	0	259.261	0.583	20	30		CCEDRM
C#CC[C@H](NC(=O)Cc1ccc(NC(C)=O)cc1)C(=O)[O-]	ZINC000149958485	854009504	/nfs/dbraw/zinc/00/95/04/854009504.db2.gz	PMJFBSDMAJBQOS-ZDUSSCGKSA-N	-1	0	288.303	0.780	20	30		CCEDRM
N#CCCCS(=O)(=O)[N-]C(=O)/C=C/c1ccncn1	ZINC001116709944	855817580	/nfs/dbraw/zinc/81/75/80/855817580.db2.gz	NWJMGDIULWCDRL-ONEGZZNKSA-N	-1	0	280.309	0.240	20	30		CCEDRM
C=CCO[N-]C(=O)c1ccc(=O)n(CCCOC)n1	ZINC001118802919	856448840	/nfs/dbraw/zinc/44/88/40/856448840.db2.gz	NFBCTSKQSMWJMB-UHFFFAOYSA-N	-1	0	267.285	0.127	20	30		CCEDRM
C=CC1CCN(C(=O)C(=O)N[C@H]2C[C@@H](C(=O)[O-])C2)CC1	ZINC001119395978	856667069	/nfs/dbraw/zinc/66/70/69/856667069.db2.gz	ICCHMHBMFUTGEY-PHIMTYICSA-N	-1	0	280.324	0.390	20	30		CCEDRM
N#CC1(CS(=O)(=O)[N-]C(=O)c2ccccn2)CC1	ZINC001325736009	913551127	/nfs/dbraw/zinc/55/11/27/913551127.db2.gz	MXNYSNZLGHCJDT-UHFFFAOYSA-N	-1	0	265.294	0.445	20	30		CCEDRM
C=CCO[C@H]1CCN(C(=O)NCCCC(=O)[O-])C1	ZINC001326001330	913688170	/nfs/dbraw/zinc/68/81/70/913688170.db2.gz	HUYMUOGUFIDDBP-JTQLQIEISA-N	-1	0	256.302	0.838	20	30		CCEDRM
Cn1ncnc1C=Nn1c(=S)[n-]nc1C(F)(F)F	ZINC001326203819	913818839	/nfs/dbraw/zinc/81/88/39/913818839.db2.gz	JHVXOTKLFYTVBZ-UHFFFAOYSA-N	-1	0	277.235	0.596	20	30		CCEDRM
C=C(C)CO[N-]C(=O)C(=O)Nc1ccn(CCC#N)n1	ZINC001326484635	913982810	/nfs/dbraw/zinc/98/28/10/913982810.db2.gz	TXESCPBZQOYGSG-UHFFFAOYSA-N	-1	0	277.284	0.359	20	30		CCEDRM
C=CCN(CC(=O)[O-])C(=O)N[C@@H]1CO[C@@H](C2CC2)C1	ZINC000691258784	897280841	/nfs/dbraw/zinc/28/08/41/897280841.db2.gz	YTRHJMCBFWSETC-WDEREUQCSA-N	-1	0	268.313	0.836	20	30		CCEDRM
COC(=O)C1(C#N)CCN(C(=O)NCCCC(=O)[O-])CC1	ZINC001326805471	914191470	/nfs/dbraw/zinc/19/14/70/914191470.db2.gz	IBRXIPQZKIEOFO-UHFFFAOYSA-N	-1	0	297.311	0.340	20	30		CCEDRM
C=CC[C@H](NC(=O)NCc1nnn(C(C)(C)C)n1)C(=O)[O-]	ZINC001327052102	914336065	/nfs/dbraw/zinc/33/60/65/914336065.db2.gz	JANAUHKQUKHGMX-QMMMGPOBSA-N	-1	0	296.331	0.257	20	30		CCEDRM
CCOC(=O)c1ccnnc1[N-]S(=O)(=O)[C@@H](C)C#N	ZINC001193107111	900031634	/nfs/dbraw/zinc/03/16/34/900031634.db2.gz	OCJGOBYZZQFNPI-ZETCQYMHSA-N	-1	0	284.297	0.307	20	30		CCEDRM
C[C@@H](C#N)S(=O)(=O)[N-]c1cccnc1OC1COC1	ZINC001193106479	900031669	/nfs/dbraw/zinc/03/16/69/900031669.db2.gz	GKDGGEFPFMXPSA-QMMMGPOBSA-N	-1	0	283.309	0.513	20	30		CCEDRM
COC(=O)c1cc([N-]S(=O)(=O)[C@H](C)C#N)cn1C	ZINC001193107636	900033851	/nfs/dbraw/zinc/03/38/51/900033851.db2.gz	YXXNVHDCRVJRCR-SSDOTTSWSA-N	-1	0	271.298	0.465	20	30		CCEDRM
COC(=O)[C@H](CF)NC(=O)c1[n-]c(=O)c(C#N)cc1C	ZINC001412188978	901536777	/nfs/dbraw/zinc/53/67/77/901536777.db2.gz	QBFJYUZRYDYHLY-QMMMGPOBSA-N	-1	0	281.243	0.208	20	30		CCEDRM
CN(C)C(=O)[C@]12C[C@H]1CCN2C(=O)c1cccc(C#N)c1[O-]	ZINC001276214868	901974010	/nfs/dbraw/zinc/97/40/10/901974010.db2.gz	DAMLUKXIDXGPPR-BZNIZROVSA-N	-1	0	299.330	0.957	20	30		CCEDRM
Cc1cc(C#N)c(=O)[n-]c1C(=O)N[C@@H]1CC(C)(C)OC1=O	ZINC001412714837	901977310	/nfs/dbraw/zinc/97/73/10/901977310.db2.gz	KJMCQQLFGCZZDD-SECBINFHSA-N	-1	0	289.291	0.791	20	30		CCEDRM
Cc1ncsc1CCNc1[n-]c(=O)n(C)c(=O)c1C#N	ZINC001412879800	902333590	/nfs/dbraw/zinc/33/35/90/902333590.db2.gz	AVGQHVSTBGUDMJ-UHFFFAOYSA-N	-1	0	291.336	0.365	20	30		CCEDRM
CC[C@@H]1C[C@H]1CNC(=O)CCn1cc(C#N)c(=O)[n-]c1=O	ZINC001412963309	902396879	/nfs/dbraw/zinc/39/68/79/902396879.db2.gz	DEZLVIPKJWEQAR-ZJUUUORDSA-N	-1	0	290.323	0.373	20	30		CCEDRM
CC1(C)CC(NC(=O)Cn2cc(C#N)c(=O)[n-]c2=O)C1	ZINC001413310357	902863352	/nfs/dbraw/zinc/86/33/52/902863352.db2.gz	OZWDWNSIJITDQV-UHFFFAOYSA-N	-1	0	276.296	0.125	20	30		CCEDRM
N#Cc1cncc(CNC(=O)CCCc2nnn[n-]2)c1	ZINC001413615817	903121018	/nfs/dbraw/zinc/12/10/18/903121018.db2.gz	RKJGQJNOSTVWTI-UHFFFAOYSA-N	-1	0	271.284	0.105	20	30		CCEDRM
C=C(CCC(=O)OC)C(=O)NC(CC)(CC)c1nnn[n-]1	ZINC001297489870	907082551	/nfs/dbraw/zinc/08/25/51/907082551.db2.gz	VUQPGRBFXDCVAD-UHFFFAOYSA-N	-1	0	295.343	0.841	20	30		CCEDRM
Cn1c(=O)[n-]c(NC(C)(C)/C=C/Cl)c(C#N)c1=O	ZINC001338100282	921370618	/nfs/dbraw/zinc/37/06/18/921370618.db2.gz	YZXPDWWSFZHUEK-SNAWJCMRSA-N	-1	0	268.704	0.888	20	30		CCEDRM
C#CC[NH2+]Cc1cc(=O)[nH]c(CNC(=O)[C@H]2C[C@@H]2C)n1	ZINC001316714951	908694378	/nfs/dbraw/zinc/69/43/78/908694378.db2.gz	DVMOVXOZQGKAKS-ONGXEEELSA-N	-1	0	274.324	0.177	20	30		CCEDRM
Cc1noc(C)c1C=Nn1c(=O)c(C)n[n-]c1=S	ZINC001317773382	909484378	/nfs/dbraw/zinc/48/43/78/909484378.db2.gz	WZGGSBSGFTZOJQ-UHFFFAOYSA-N	-1	0	265.298	0.722	20	30		CCEDRM
Cc1cc(C#N)c(=O)[n-]c1C(=O)N1CCC[C@](C)(O)C1	ZINC001417681864	921528281	/nfs/dbraw/zinc/52/82/81/921528281.db2.gz	QPBRSWXDGFFSQB-AWEZNQCLSA-N	-1	0	275.308	0.954	20	30		CCEDRM
N#CCSc1cccc(C(=O)NCc2nc(=O)o[n-]2)c1	ZINC001417688380	921533026	/nfs/dbraw/zinc/53/30/26/921533026.db2.gz	PJOYSTNWTUSVHD-UHFFFAOYSA-N	-1	0	290.304	0.909	20	30		CCEDRM
N#CCc1cccc(C(=O)NCc2nc(=O)o[n-]2)c1	ZINC001319686052	910259379	/nfs/dbraw/zinc/25/93/79/910259379.db2.gz	GXWNEYQYVOSKSY-UHFFFAOYSA-N	-1	0	258.237	0.359	20	30		CCEDRM
N#C[C@@H](NC(=O)CSc1n[nH]c(=O)[n-]1)C1CC1	ZINC001320450906	910680068	/nfs/dbraw/zinc/68/00/68/910680068.db2.gz	WQKCTYAJYPATPD-ZCFIWIBFSA-N	-1	0	253.287	0.021	20	30		CCEDRM
C=CCn1c(-c2cc(=O)[nH][n-]2)nnc1N1C[C@@H](C)C[C@H]1C	ZINC001339053873	921637867	/nfs/dbraw/zinc/63/78/67/921637867.db2.gz	CKIMCNQNSGZPHL-VHSXEESVSA-N	-1	0	288.355	0.923	20	30		CCEDRM
C=CCNC(=O)Cc1c(C)nc(-c2ncccn2)[n-]c1=O	ZINC001321755155	911474157	/nfs/dbraw/zinc/47/41/57/911474157.db2.gz	BWCBFDKWUTXQIZ-UHFFFAOYSA-N	-1	0	285.307	0.792	20	30		CCEDRM
CC[C@@H](CC#N)NC(=O)c1c[n-]n2c1nccc2=O	ZINC001321827102	911514379	/nfs/dbraw/zinc/51/43/79/911514379.db2.gz	VVTIUFMHRLANKH-QMMMGPOBSA-N	-1	0	259.269	0.445	20	30		CCEDRM
CO[C@@H](C)C(=O)[N-]S(=O)(=O)c1ccccc1C#N	ZINC001321864665	911537425	/nfs/dbraw/zinc/53/74/25/911537425.db2.gz	BLDLGRCTIQTZLM-QMMMGPOBSA-N	-1	0	268.294	0.398	20	30		CCEDRM
N#CC1(CC(=O)NCc2nc(=O)o[n-]2)CCCCC1	ZINC001328470343	915219420	/nfs/dbraw/zinc/21/94/20/915219420.db2.gz	MJEADDZMNVACHG-UHFFFAOYSA-N	-1	0	264.285	0.843	20	30		CCEDRM
C=C[C@@H](C)O[N-]C(=O)C(=O)Nc1ccnnc1C	ZINC001328728455	915392382	/nfs/dbraw/zinc/39/23/82/915392382.db2.gz	QXZMPLZGNSQTEO-SSDOTTSWSA-N	-1	0	250.258	0.346	20	30		CCEDRM
C=CC[C@H](NC(=O)[C@@H]1OCCO[C@@H]1C(F)(F)F)C(=O)[O-]	ZINC001329215802	915751879	/nfs/dbraw/zinc/75/18/79/915751879.db2.gz	QGESXFHMPCMHRV-RNJXMRFFSA-N	-1	0	297.229	0.478	20	30		CCEDRM
CC#CCS(=O)(=O)[N-]C(=O)c1ccnc(OC)c1	ZINC001329999534	916346023	/nfs/dbraw/zinc/34/60/23/916346023.db2.gz	LPYVYEJLKRLMLR-UHFFFAOYSA-N	-1	0	268.294	0.173	20	30		CCEDRM
C=CCCS(=O)(=O)[N-][C@H](CCO)C(F)(F)F	ZINC001331688473	917513429	/nfs/dbraw/zinc/51/34/29/917513429.db2.gz	IPKFBEUKCCQRAK-SSDOTTSWSA-N	-1	0	261.265	0.795	20	30		CCEDRM
C=CC[C@H](NC(=O)Cc1ccc(OC)cn1)C(=O)[O-]	ZINC001332613340	918313306	/nfs/dbraw/zinc/31/33/06/918313306.db2.gz	FPRRDWJAGUITCA-NSHDSACASA-N	-1	0	264.281	0.778	20	30		CCEDRM
Cn1[n-]c(C(=O)N[C@]2(C#N)CCSC2)cc1=O	ZINC001333923165	919250972	/nfs/dbraw/zinc/25/09/72/919250972.db2.gz	MYMRQTJTZMYYBG-JTQLQIEISA-N	-1	0	252.299	0.255	20	30		CCEDRM
C=CCn1c(-c2cc(=O)[nH][n-]2)nnc1N(CC)CC1CC1	ZINC001340429846	922084180	/nfs/dbraw/zinc/08/41/80/922084180.db2.gz	NYJJKNZRTGORIG-UHFFFAOYSA-N	-1	0	288.355	0.924	20	30		CCEDRM
Cc1cc(C#N)c(=O)[n-]c1C(=O)N1CCn2nccc2C1	ZINC001418525238	922214487	/nfs/dbraw/zinc/21/44/87/922214487.db2.gz	BJWURKKOIYKWNE-UHFFFAOYSA-N	-1	0	283.291	0.820	20	30		CCEDRM
CNC(=O)C(C#N)=C([O-])c1ccnc(OC(F)F)c1	ZINC001341979521	922749852	/nfs/dbraw/zinc/74/98/52/922749852.db2.gz	FDGNJOIXEULEDK-SSDOTTSWSA-N	-1	0	269.207	0.751	20	30		CCEDRM
Cc1c(C([O-])=C(C#N)C(=O)N2CCCC2)nnn1C	ZINC001342578334	923008871	/nfs/dbraw/zinc/00/88/71/923008871.db2.gz	CPWKPNNICJGTAK-VIFPVBQESA-N	-1	0	261.285	0.068	20	30		CCEDRM
COC(=O)c1ccc(C([O-])=C(C#N)C(=O)NC2CC2)o1	ZINC001342578593	923009492	/nfs/dbraw/zinc/00/94/92/923009492.db2.gz	FVDLMMYZRMVYBU-QMMMGPOBSA-N	-1	0	276.248	0.667	20	30		CCEDRM
COc1cc(C([O-])=C(C#N)C(=O)NC(C)C)nn1C	ZINC001342596191	923016712	/nfs/dbraw/zinc/01/67/12/923016712.db2.gz	XKUJJLLUCURWPO-MRVPVSSYSA-N	-1	0	264.285	0.276	20	30		CCEDRM
Cc1cnn(C)c1C([O-])=C(C#N)C(=O)N1CCCC1	ZINC001342694981	923058389	/nfs/dbraw/zinc/05/83/89/923058389.db2.gz	DZSJJVBXUNOYHQ-JTQLQIEISA-N	-1	0	260.297	0.673	20	30		CCEDRM
Cn1ccnc1C([O-])=C(C#N)C(=O)[C@@H]1CCC(=O)C1	ZINC001343385172	923293904	/nfs/dbraw/zinc/29/39/04/923293904.db2.gz	JPELQDHPZJOTOU-SCZZXKLOSA-N	-1	0	259.265	0.681	20	30		CCEDRM
CCOCCCNC(=O)C(C#N)=C([O-])c1cncn1C	ZINC001343473772	923334440	/nfs/dbraw/zinc/33/44/40/923334440.db2.gz	NFJKWMOEFVHDLS-SNVBAGLBSA-N	-1	0	278.312	0.285	20	30		CCEDRM
CCn1nc(C)c(C([O-])=C(C#N)c2nccn2C)n1	ZINC001343717334	923441287	/nfs/dbraw/zinc/44/12/87/923441287.db2.gz	PEUSALUYQFLZTI-SECBINFHSA-N	-1	0	258.285	0.830	20	30		CCEDRM
CNC(=O)C(C#N)=C([O-])c1ccc([S@@](C)=O)cc1	ZINC001343982875	923522015	/nfs/dbraw/zinc/52/20/15/923522015.db2.gz	MPKINZUXOULKOT-MLCYQJTMSA-N	-1	0	264.306	0.492	20	30		CCEDRM
Cc1cc(C([O-])=C(C#N)C(=O)N2CCCC2)n(C)n1	ZINC001343989183	923522307	/nfs/dbraw/zinc/52/23/07/923522307.db2.gz	AYDXCCAZAACYRM-SNVBAGLBSA-N	-1	0	260.297	0.673	20	30		CCEDRM
Cn1c(Cl)cnc1C(C#N)=C([O-])[C@H]1CCC(=O)O1	ZINC001344863109	923714422	/nfs/dbraw/zinc/71/44/22/923714422.db2.gz	FLSSQPAEJYSZSQ-NKWVEPMBSA-N	-1	0	267.672	0.955	20	30		CCEDRM
N#CC(C(=O)NC1CC1)=C([O-])c1cnc2nccnc2c1	ZINC001346065401	924062424	/nfs/dbraw/zinc/06/24/24/924062424.db2.gz	SLOGZOWOAHLXHI-JTQLQIEISA-N	-1	0	281.275	0.626	20	30		CCEDRM
N#Cc1nc(NC(=O)c2cnn3ccncc23)[n-]c1C#N	ZINC001346378323	924179934	/nfs/dbraw/zinc/17/99/34/924179934.db2.gz	IZLZAFYFSPSJOA-UHFFFAOYSA-N	-1	0	278.235	0.448	20	30		CCEDRM
N#C[C@@H]1CSCCN1C(=O)c1c[n-]ncc1=O	ZINC001346959064	924338812	/nfs/dbraw/zinc/33/88/12/924338812.db2.gz	GHXXLJXKNQSSFS-SSDOTTSWSA-N	-1	0	250.283	0.263	20	30		CCEDRM
O=C(N[C@H]1CCN(O)C1=O)c1c(Cl)ccnc1F	ZINC001347089451	924368957	/nfs/dbraw/zinc/36/89/57/924368957.db2.gz	WACZVCAABZQRDN-LURJTMIESA-N	-1	0	273.651	0.594	20	30		CCEDRM
C=C(C)C[C@@H](NC(=O)CCCC(=O)[O-])C(=O)OC	ZINC001350620686	925240907	/nfs/dbraw/zinc/24/09/07/925240907.db2.gz	DVUJWJXUACCHFP-SECBINFHSA-N	-1	0	257.286	0.865	20	30		CCEDRM
C=CCC[C@@H](NC(=O)[C@@H](c1cncn1C)N(C)C)C(=O)[O-]	ZINC001350768400	925274861	/nfs/dbraw/zinc/27/48/61/925274861.db2.gz	LYGWYFRPQWPCMS-ZYHUDNBSSA-N	-1	0	294.355	0.558	20	30		CCEDRM
N#CC1(C(=O)N2CC([C@H](F)C(=O)[O-])C2)CCCC1	ZINC001350779054	925276634	/nfs/dbraw/zinc/27/66/34/925276634.db2.gz	WZDBORQGJSQAPL-VIFPVBQESA-N	-1	0	254.261	0.951	20	30		CCEDRM
C#CCN(CC1CC1)C(=O)Cn1cc(C(=O)[O-])cn1	ZINC001350800879	925282890	/nfs/dbraw/zinc/28/28/90/925282890.db2.gz	BUNUSQKFAPCKBU-UHFFFAOYSA-N	-1	0	261.281	0.453	20	30		CCEDRM
CCO[C@H](C(=O)[N-]S(=O)(=O)CCCC#N)C1CC1	ZINC001351511605	925429449	/nfs/dbraw/zinc/42/94/49/925429449.db2.gz	RSSWIACSRLMIHV-JTQLQIEISA-N	-1	0	274.342	0.551	20	30		CCEDRM
C=C(CC(C)C)C(=O)N1CCOC[C@H]1c1nnn[n-]1	ZINC001352486361	925585907	/nfs/dbraw/zinc/58/59/07/925585907.db2.gz	NXLQOIXGQHWXOX-JTQLQIEISA-N	-1	0	265.317	0.702	20	30		CCEDRM
C=C(C)C[C@H](NC(C)=O)C(=O)Nc1nc(C#N)c(C#N)[n-]1	ZINC001300045086	925594019	/nfs/dbraw/zinc/59/40/19/925594019.db2.gz	RZANGCZRIJROLP-VIFPVBQESA-N	-1	0	286.295	0.562	20	30		CCEDRM
C=C[C@H](C)O[N-]C(=O)CN1C(=O)c2ccccc2C1=O	ZINC001300211415	925742500	/nfs/dbraw/zinc/74/25/00/925742500.db2.gz	VBILAVXXZFKGKG-VIFPVBQESA-N	-1	0	274.276	0.905	20	30		CCEDRM
Cn1c(=O)[n-]c(NCCc2ccccc2)c(C#N)c1=O	ZINC001413868626	925933411	/nfs/dbraw/zinc/93/34/11/925933411.db2.gz	IZUUTRADKQUINO-UHFFFAOYSA-N	-1	0	270.292	0.600	20	30		CCEDRM
C=CCN(CC(=O)[O-])C(=O)c1cnn(C)c1OC	ZINC001354047421	925995917	/nfs/dbraw/zinc/99/59/17/925995917.db2.gz	PJUXGDULJPGBLC-UHFFFAOYSA-N	-1	0	253.258	0.142	20	30		CCEDRM
C=CC[C@H](NC(=O)CC1CCN(OC)CC1)C(=O)[O-]	ZINC001354047053	925996867	/nfs/dbraw/zinc/99/68/67/925996867.db2.gz	KRTITWOGGONGFT-NSHDSACASA-N	-1	0	270.329	0.795	20	30		CCEDRM
C=CCn1c(-c2cc(=O)[nH][n-]2)nnc1N1CC[C@H](CF)C1	ZINC001356038645	926337009	/nfs/dbraw/zinc/33/70/09/926337009.db2.gz	SUBQENPAQWRTAS-SECBINFHSA-N	-1	0	292.318	0.484	20	30		CCEDRM
C=CCNC(=O)C(C#N)=C([O-])c1cn(C)nc1COC	ZINC001356264374	926363643	/nfs/dbraw/zinc/36/36/43/926363643.db2.gz	ADMJDKYDIAUUSG-VIFPVBQESA-N	-1	0	276.296	0.191	20	30		CCEDRM
C=CCCCNC(=O)N[C@@H]1CCCCN(CC(=O)[O-])C1=O	ZINC001356631783	926414872	/nfs/dbraw/zinc/41/48/72/926414872.db2.gz	LWYFHNRVZVBUFL-LLVKDONJSA-N	-1	0	297.355	0.718	20	30		CCEDRM
CC[C@@H]1COCCN1Cc1cc(=O)n2[n-]cc(C#N)c2n1	ZINC001421520830	926786726	/nfs/dbraw/zinc/78/67/26/926786726.db2.gz	OLKFSZBRGNJCRR-GFCCVEGCSA-N	-1	0	287.323	0.917	20	30		CCEDRM
C=CC[C@H](NC(=O)[C@H]1CCCN1c1ncccn1)C(=O)[O-]	ZINC000150338350	926951127	/nfs/dbraw/zinc/95/11/27/926951127.db2.gz	VIONOXZTJABLRG-WDEREUQCSA-N	-1	0	290.323	0.591	20	30		CCEDRM
N#CCOc1cccc(NC(=O)Cn2c(=O)[n-][nH]c2=O)c1	ZINC001361935991	927461518	/nfs/dbraw/zinc/46/15/18/927461518.db2.gz	IUUZAJAFDAKMHH-UHFFFAOYSA-N	-1	0	289.251	0.230	20	30		CCEDRM
C[C@@H](C#N)CNC(=O)c1nc[n-]c(=O)c1Br	ZINC001362158902	927620692	/nfs/dbraw/zinc/62/06/92/927620692.db2.gz	HPOCRNNJQAQFIY-YFKPBYRVSA-N	-1	0	285.101	0.834	20	30		CCEDRM
Cc1cc(C#N)c(=O)[n-]c1C(=O)NCC[C@H](C)[S@@](C)=O	ZINC001362230723	927753173	/nfs/dbraw/zinc/75/31/73/927753173.db2.gz	VRUWLTKSVLEIGU-GWNMQOMSSA-N	-1	0	295.364	0.854	20	30		CCEDRM
CC[C@@]1(O)CCN(C(=O)c2[n-]c(=O)c(C#N)cc2C)C1	ZINC001362412583	927984297	/nfs/dbraw/zinc/98/42/97/927984297.db2.gz	XOOCZYDXKQUKKS-CQSZACIVSA-N	-1	0	275.308	0.954	20	30		CCEDRM
CC(C)[C@@H]1C[C@H]1CNC(=O)Cn1cc(C#N)c(=O)[n-]c1=O	ZINC001362458585	928043889	/nfs/dbraw/zinc/04/38/89/928043889.db2.gz	VAOHNKTUHSMTBY-ONGXEEELSA-N	-1	0	290.323	0.229	20	30		CCEDRM
CSc1[n-]c(=O)c(C(=O)NC2CC(=O)C2)cc1C#N	ZINC001362483770	928081161	/nfs/dbraw/zinc/08/11/61/928081161.db2.gz	QNWOAYDXBHFKCC-UHFFFAOYSA-N	-1	0	277.305	0.842	20	30		CCEDRM
Cc1cc(C#N)c(=O)[n-]c1C(=O)NC(C)(C)CC(N)=O	ZINC001362523579	928131835	/nfs/dbraw/zinc/13/18/35/928131835.db2.gz	GAXSKGLEOKUBQZ-UHFFFAOYSA-N	-1	0	276.296	0.351	20	30		CCEDRM
N#Cc1cn(CCNC(=O)Nc2ccccc2)c(=O)[n-]c1=O	ZINC001424403832	928177717	/nfs/dbraw/zinc/17/77/17/928177717.db2.gz	GCSPNPCEDNXHHH-UHFFFAOYSA-N	-1	0	299.290	0.642	20	30		CCEDRM
N#CCc1ccccc1CC(=O)Nn1c(=O)[n-][nH]c1=O	ZINC001362654118	928312071	/nfs/dbraw/zinc/31/20/71/928312071.db2.gz	HNRBOVLECAAFQD-UHFFFAOYSA-N	-1	0	273.252	0.068	20	30		CCEDRM
Cc1cc(C#N)c(=O)[n-]c1C(=O)N1CC[C@@](O)(CC#N)C1	ZINC001362831373	928545476	/nfs/dbraw/zinc/54/54/76/928545476.db2.gz	SDZBEVQSVIGPER-AWEZNQCLSA-N	-1	0	286.291	0.458	20	30		CCEDRM
Cc1oc(C(=O)Nc2nc(C#N)c(C#N)[n-]2)cc1CO	ZINC001362973079	928712241	/nfs/dbraw/zinc/71/22/41/928712241.db2.gz	VJKYJIZJGVJGMK-UHFFFAOYSA-N	-1	0	271.236	0.799	20	30		CCEDRM
Cc1ccoc1C(=O)NCCn1cc(C#N)c(=O)[n-]c1=O	ZINC001363004686	928749596	/nfs/dbraw/zinc/74/95/96/928749596.db2.gz	SWGDJJHUJUWBNV-UHFFFAOYSA-N	-1	0	288.263	0.152	20	30		CCEDRM
CC(C)C[C@H](C)C(=O)NCCn1cc(C#N)c(=O)[n-]c1=O	ZINC001363130302	928903204	/nfs/dbraw/zinc/90/32/04/928903204.db2.gz	VUYYHVUWBXUWFQ-JTQLQIEISA-N	-1	0	292.339	0.619	20	30		CCEDRM
N#Cc1cn(CC(=O)N[C@@H]2CC[C@@H]3C[C@@H]3C2)c(=O)[n-]c1=O	ZINC001363197274	928968027	/nfs/dbraw/zinc/96/80/27/928968027.db2.gz	AWTHJLWUQBHWLX-FXPVBKGRSA-N	-1	0	288.307	0.125	20	30		CCEDRM
C[C@H]1OCCN(Cc2cc(=O)n3[n-]cc(C#N)c3n2)[C@H]1C	ZINC001363214713	928984631	/nfs/dbraw/zinc/98/46/31/928984631.db2.gz	BVRDBLPOVDEOCR-VHSXEESVSA-N	-1	0	287.323	0.916	20	30		CCEDRM
Cc1cc(=O)[nH]c(N2CCC[C@H](NC(=O)CC#N)C2)n1	ZINC001363398248	929184337	/nfs/dbraw/zinc/18/43/37/929184337.db2.gz	IFDRMTBGKJUIOR-JTQLQIEISA-N	-1	0	275.312	0.489	20	30		CCEDRM
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CC(=NN[C@@H]1CCSC1)c1cn(CC(=O)[O-])nn1	ZINC001602737919	971433125	/nfs/dbraw/zinc/43/31/25/971433125.db2.gz	ZRACQNGFHRTOHH-MRVPVSSYSA-N	-1	0	269.330	0.182	20	30		CCEDRM
CC(C)(NC(=O)COc1ccccc1C#N)C(=O)[O-]	ZINC000040909794	948857488	/nfs/dbraw/zinc/85/74/88/948857488.db2.gz	XNZFMJJMKPFKKQ-UHFFFAOYSA-N	-1	0	262.265	0.916	20	30		CCEDRM
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CC(C)(C#N)CC(=O)Nc1cnn(CC(=O)[O-])c1	ZINC001602830377	971651542	/nfs/dbraw/zinc/65/15/42/971651542.db2.gz	OEGBFSVSWSQXMT-UHFFFAOYSA-N	-1	0	250.258	0.846	20	30		CCEDRM
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C[C@@H]1CN(C(=O)[C@]2(C(=O)[O-])CCCO2)C[C@@H](C)N1CC#N	ZINC001589374123	954234762	/nfs/dbraw/zinc/23/47/62/954234762.db2.gz	JCNBCSBZRFMVQJ-GYSYKLTISA-N	-1	0	295.339	0.065	20	30		CCEDRM
C/N=C1/NC(=O)/C(=C/c2cc(C(=O)[O-])nn2C)S1	ZINC001593797515	954818831	/nfs/dbraw/zinc/81/88/31/954818831.db2.gz	LWXBEIOXXMDIQK-DAXSKMNVSA-N	-1	0	266.282	0.308	20	30		CCEDRM
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CON(C(=O)c1cccc(C#CCO)c1)[C@@H](C)C(=O)[O-]	ZINC001594040188	957859737	/nfs/dbraw/zinc/85/97/37/957859737.db2.gz	UBIIJXJARPGLAG-JTQLQIEISA-N	-1	0	277.276	0.507	20	30		CCEDRM
C#CC1(F)CN(C(=O)Nc2ccn(C(C)(C)C(=O)[O-])n2)C1	ZINC001588375747	957967074	/nfs/dbraw/zinc/96/70/74/957967074.db2.gz	HICNMJIMRNWREM-UHFFFAOYSA-N	-1	0	294.286	0.892	20	30		CCEDRM
C#CC1(O)CCN(C(=O)[C@]2(C(=O)[O-])C[C@H]2C)CC1	ZINC001588387074	957983998	/nfs/dbraw/zinc/98/39/98/957983998.db2.gz	XVIYZKZPCLGDSA-RNCFNFMXSA-N	-1	0	251.282	0.084	20	30		CCEDRM
C#C[C@H](C)NC(=O)C(=O)Nc1ccccc1CC(=O)[O-]	ZINC001588387038	957984748	/nfs/dbraw/zinc/98/47/48/957984748.db2.gz	FGCWRPSNFGHCKI-VIFPVBQESA-N	-1	0	274.276	0.390	20	30		CCEDRM
C#CC[C@@H](COC)NC(=O)Nc1ccn(CC(=O)[O-])n1	ZINC001588389372	958007358	/nfs/dbraw/zinc/00/73/58/958007358.db2.gz	SYUKSKWJECNVIL-VIFPVBQESA-N	-1	0	280.284	0.128	20	30		CCEDRM
C#CC[C@H](CCOC)NC(=O)NC[C@H](C)C(=O)[O-]	ZINC001588389493	958008870	/nfs/dbraw/zinc/00/88/70/958008870.db2.gz	VSBZITUNKFPUNA-VHSXEESVSA-N	-1	0	256.302	0.435	20	30		CCEDRM
C#CCC1(O)CCN(C(=O)CSCC(=O)[O-])CC1	ZINC001588391499	958023725	/nfs/dbraw/zinc/02/37/25/958023725.db2.gz	ILJJCTMEFNAMOI-UHFFFAOYSA-N	-1	0	271.338	0.181	20	30		CCEDRM
C#CC[C@H]1CCCN(C(=O)C(=O)NC[C@H](C)C(=O)[O-])C1	ZINC001588391686	958026574	/nfs/dbraw/zinc/02/65/74/958026574.db2.gz	LSXZNEHBVNZAPG-QWRGUYRKSA-N	-1	0	280.324	0.085	20	30		CCEDRM
C#CC[C@H](OC(=O)c1cn(CC(=O)[O-])nn1)C(C)(C)C	ZINC001588391886	958028675	/nfs/dbraw/zinc/02/86/75/958028675.db2.gz	QVWBEJLOURKWMU-JTQLQIEISA-N	-1	0	279.296	0.958	20	30		CCEDRM
C#CCN(CC(=O)[O-])C(=O)C(=O)Nc1ccc(C#N)cc1	ZINC001588396175	958048420	/nfs/dbraw/zinc/04/84/20/958048420.db2.gz	WLRNHSVYTCFWAR-UHFFFAOYSA-N	-1	0	285.259	0.043	20	30		CCEDRM
C#CCN(C(=O)C(=O)N1CC[C@H](C)[C@@H](C(=O)[O-])C1)C(C)C	ZINC001588396481	958050441	/nfs/dbraw/zinc/05/04/41/958050441.db2.gz	SNFNDVHHFCZQSE-RYUDHWBXSA-N	-1	0	294.351	0.426	20	30		CCEDRM
C#CCN(CC(=O)[O-])C(=O)[C@@]1(O)CCCC(C)(C)C1	ZINC001588399151	958071418	/nfs/dbraw/zinc/07/14/18/958071418.db2.gz	GWODVQSHLKOARA-CQSZACIVSA-N	-1	0	267.325	0.864	20	30		CCEDRM
C#CCN(CC(=O)[O-])C(=O)C[C@H](C)CC(=O)OC	ZINC001588399744	958075642	/nfs/dbraw/zinc/07/56/42/958075642.db2.gz	OLOHVUKMLZLCHE-VIFPVBQESA-N	-1	0	255.270	0.122	20	30		CCEDRM
C#CCN(CC(=O)[O-])C(=O)CNC(=O)c1ccccc1C	ZINC001588402272	958090059	/nfs/dbraw/zinc/09/00/59/958090059.db2.gz	PJKLBXKBVBKPDN-UHFFFAOYSA-N	-1	0	288.303	0.271	20	30		CCEDRM
C#CCN(CC(=O)[O-])C(=O)Cc1cc(F)ccc1OC	ZINC001588407676	958102426	/nfs/dbraw/zinc/10/24/26/958102426.db2.gz	UFPARVMJKPDJRM-UHFFFAOYSA-N	-1	0	279.267	0.923	20	30		CCEDRM
C#CCN(CC(=O)[O-])C(=O)NCCCC(=O)OC(C)(C)C	ZINC001588408324	958107840	/nfs/dbraw/zinc/10/78/40/958107840.db2.gz	HRHVIUBRTFUXMD-UHFFFAOYSA-N	-1	0	298.339	0.838	20	30		CCEDRM
C#CCN(CC(=O)[O-])C(=O)N[C@@H]1C[C@@H]2CCC[C@H]12	ZINC001588409569	958128962	/nfs/dbraw/zinc/12/89/62/958128962.db2.gz	GTBWGYMLCUYORU-GARJFASQSA-N	-1	0	250.298	0.904	20	30		CCEDRM
C#CCN(CC(=O)[O-])C(=O)NC1CCC(O)(CC)CC1	ZINC001588409806	958132843	/nfs/dbraw/zinc/13/28/43/958132843.db2.gz	KREUZDRGJDJMNF-UHFFFAOYSA-N	-1	0	282.340	0.800	20	30		CCEDRM
C#CCN(CC(=O)[O-])C(=O)N[C@@H]1CCO[C@H](CC)C1	ZINC001588409928	958133576	/nfs/dbraw/zinc/13/35/76/958133576.db2.gz	MNEIWQFSBDGTQF-GHMZBOCLSA-N	-1	0	268.313	0.673	20	30		CCEDRM
C#CCN(CC(=O)[O-])C(=O)Nc1nc(C(C)C)no1	ZINC001588413205	958157969	/nfs/dbraw/zinc/15/79/69/958157969.db2.gz	VIHRGWJZRZQSFA-UHFFFAOYSA-N	-1	0	266.257	0.745	20	30		CCEDRM
C#CCN(CC(=O)[O-])C(=O)Nc1cncc(OC)c1	ZINC001588413355	958159690	/nfs/dbraw/zinc/15/96/90/958159690.db2.gz	ZUUVPUCWWDYDPD-UHFFFAOYSA-N	-1	0	263.253	0.642	20	30		CCEDRM
C#CCN(CC(=O)[O-])C(=S)Nc1cnn(CC)c1	ZINC001588420310	958203744	/nfs/dbraw/zinc/20/37/44/958203744.db2.gz	VGVZKNBERBQPDA-UHFFFAOYSA-N	-1	0	266.326	0.620	20	30		CCEDRM
C#CCN(CC(=O)[O-])S(=O)(=O)Cc1csc(C#N)c1	ZINC001588425392	958224947	/nfs/dbraw/zinc/22/49/47/958224947.db2.gz	QOVHGNYJWPSREF-UHFFFAOYSA-N	-1	0	298.345	0.469	20	30		CCEDRM
C#CCN(CC(=O)[O-])c1nnnn1[C@H]1CCOC(C)(C)C1	ZINC001588426873	958234944	/nfs/dbraw/zinc/23/49/44/958234944.db2.gz	FIBISCAWDOYZPE-JTQLQIEISA-N	-1	0	293.327	0.327	20	30		CCEDRM
C#CCN1CCN(C(=O)[C@@]2(C(=O)[O-])CC2(C)C)CC1	ZINC001588429682	958249079	/nfs/dbraw/zinc/24/90/79/958249079.db2.gz	ANJDHWJASRMDHD-CQSZACIVSA-N	-1	0	264.325	0.265	20	30		CCEDRM
C#CCOCCCOC(=O)c1cnc(C(=O)[O-])cn1	ZINC001588430608	958258609	/nfs/dbraw/zinc/25/86/09/958258609.db2.gz	DKZZUAROBBLOMC-UHFFFAOYSA-N	-1	0	264.237	0.372	20	30		CCEDRM
C#CCN1CCN(C(=O)[C@H](C(=O)[O-])C2CCCC2)CC1	ZINC001588430958	958263838	/nfs/dbraw/zinc/26/38/38/958263838.db2.gz	RFLFSQPBSAMLTP-CYBMUJFWSA-N	-1	0	278.352	0.655	20	30		CCEDRM
C#CCNC(=O)COC(=O)c1cccc(OCC(=O)[O-])c1	ZINC001588430978	958264251	/nfs/dbraw/zinc/26/42/51/958264251.db2.gz	RMGZPBMUNJXWLP-UHFFFAOYSA-N	-1	0	291.259	0.056	20	30		CCEDRM
C#CCOCCNC(=O)Nc1ccn(C(C)(C)C(=O)[O-])n1	ZINC001588430970	958264799	/nfs/dbraw/zinc/26/47/99/958264799.db2.gz	IVEPRNSSWJCBLM-UHFFFAOYSA-N	-1	0	294.311	0.474	20	30		CCEDRM
C#CCn1cc(CNC(=O)[C@](C)(C#N)CC(=O)[O-])cn1	ZINC001588433246	958294144	/nfs/dbraw/zinc/29/41/44/958294144.db2.gz	OATVIBZTIHLZDR-ZDUSSCGKSA-N	-1	0	274.280	0.137	20	30		CCEDRM
C#C[C@H]1CC[C@H](NC(=O)C(=O)N2CC[C@H](C(=O)[O-])C2)CC1	ZINC001588433257	958294194	/nfs/dbraw/zinc/29/41/94/958294194.db2.gz	OGVBKPREIQBYPZ-SRVKXCTJSA-N	-1	0	292.335	0.228	20	30		CCEDRM
C#C[C@H]1CC[C@H](NC(=O)C(=O)NC[C@@H](C)C(=O)[O-])CC1	ZINC001588433352	958295944	/nfs/dbraw/zinc/29/59/44/958295944.db2.gz	PCUUDEKCTSUMIO-GMTAPVOTSA-N	-1	0	280.324	0.132	20	30		CCEDRM
C#Cc1ccc(CNC(=O)[C@@]2(C(=O)[O-])CCCO2)cc1	ZINC001588438833	958306258	/nfs/dbraw/zinc/30/62/58/958306258.db2.gz	DFPWDVTWCDALAJ-OAHLLOKOSA-N	-1	0	273.288	0.918	20	30		CCEDRM
C=C(C)[C@@H](C)OC(=O)C1(C(=O)[O-])CCS(=O)(=O)CC1	ZINC001588438943	958308475	/nfs/dbraw/zinc/30/84/75/958308475.db2.gz	ABWZURLWCRQSRI-SECBINFHSA-N	-1	0	290.337	0.774	20	30		CCEDRM
C#Cc1cncc(C(=O)N2CC[C@@](COC)(C(=O)[O-])C2)c1	ZINC001588439172	958312470	/nfs/dbraw/zinc/31/24/70/958312470.db2.gz	HZCRUBXLCDTYFR-OAHLLOKOSA-N	-1	0	288.303	0.626	20	30		CCEDRM
C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)c1cc(C(=O)[O-])n[nH]1	ZINC001588443286	958352471	/nfs/dbraw/zinc/35/24/71/958352471.db2.gz	ZDSXJCJCQLOZLC-KCJUWKMLSA-N	-1	0	279.296	0.819	20	30		CCEDRM
C=C[C@](C)(O)CC(=O)N1CC[C@H](C(=O)[O-])[C@@H](C)C1	ZINC001588451137	958406308	/nfs/dbraw/zinc/40/63/08/958406308.db2.gz	NIORTOPRDQZBLR-KWBADKCTSA-N	-1	0	255.314	0.883	20	30		CCEDRM
C=C[C@@H]1CCCCN1C(=O)[C@H]1CC(C(=O)[O-])=NO1	ZINC001588451975	958417391	/nfs/dbraw/zinc/41/73/91/958417391.db2.gz	GOGOTZFLKUNVCU-PSASIEDQSA-N	-1	0	252.270	0.783	20	30		CCEDRM
C=C[C@H](O)c1nnc(N2CC[C@H](C(=O)[O-])C2)n1CC1CC1	ZINC001588452422	958422252	/nfs/dbraw/zinc/42/22/52/958422252.db2.gz	OWMJZYLNUBENGY-QWRGUYRKSA-N	-1	0	292.339	0.818	20	30		CCEDRM
C=CCC[C@@H]1CCCN1C(=O)c1cn(CC(=O)[O-])nn1	ZINC001588458099	958458539	/nfs/dbraw/zinc/45/85/39/958458539.db2.gz	KCUKAEKOSQVIGS-SNVBAGLBSA-N	-1	0	278.312	0.934	20	30		CCEDRM
C=CCCCNC(=O)C(=O)N1CCC(C(=O)[O-])CC1	ZINC001588459771	958470399	/nfs/dbraw/zinc/47/03/99/958470399.db2.gz	CLNNBRDBCLUYQI-UHFFFAOYSA-N	-1	0	268.313	0.392	20	30		CCEDRM
C=CCN(C(=O)C(=O)N(C)C[C@H](C)C(=O)[O-])C(C)C	ZINC001588460486	958476298	/nfs/dbraw/zinc/47/62/98/958476298.db2.gz	KMRQNEZPFLFPHM-JTQLQIEISA-N	-1	0	270.329	0.589	20	30		CCEDRM
C=CCN(C)C(=O)N[C@H]1CCCCN(CC(=O)[O-])C1=O	ZINC001588463191	958481350	/nfs/dbraw/zinc/48/13/50/958481350.db2.gz	ATVKQIHLTZJSOL-JTQLQIEISA-N	-1	0	283.328	0.280	20	30		CCEDRM
C=CCN1CC[C@@H](N(C)C(=O)[C@]2(C(=O)[O-])CC2(C)C)C1=O	ZINC001588464287	958489650	/nfs/dbraw/zinc/48/96/50/958489650.db2.gz	NDNHDHQOKZRQDM-BMIGLBTASA-N	-1	0	294.351	0.733	20	30		CCEDRM
C=CCN1CC[C@H](N(C)C(=O)[C@H]2CC[C@H]2C(=O)[O-])C1=O	ZINC001588464292	958491672	/nfs/dbraw/zinc/49/16/72/958491672.db2.gz	NFVWCQLDEWVEMW-AXFHLTTASA-N	-1	0	280.324	0.343	20	30		CCEDRM
C=CCOCc1nnc(N2CC[C@](C)(C(=O)[O-])C2)n1C	ZINC001588466428	958511171	/nfs/dbraw/zinc/51/11/71/958511171.db2.gz	PFELUQVYUDWHMZ-ZDUSSCGKSA-N	-1	0	280.328	0.819	20	30		CCEDRM
C=C(CCC(=O)OC)C(=O)N1[C@H](C)CC[C@@H]1C(=O)[O-]	ZINC001573329878	958513621	/nfs/dbraw/zinc/51/36/21/958513621.db2.gz	OSNIHZWSSCJMPL-NXEZZACHSA-N	-1	0	269.297	0.960	20	30		CCEDRM
C=C1CC(C)(C(=O)N[C@H]2CCCCN(CC(=O)[O-])C2=O)C1	ZINC001573330145	958516816	/nfs/dbraw/zinc/51/68/16/958516816.db2.gz	VCHZPHVQDIDWKD-NSHDSACASA-N	-1	0	294.351	0.925	20	30		CCEDRM
C=C[C@@H]1OCC[C@H]1C(=O)NCC1(C(=O)[O-])CCC1	ZINC001573336439	958518915	/nfs/dbraw/zinc/51/89/15/958518915.db2.gz	AIHBJISVXCYPRM-ZJUUUORDSA-N	-1	0	253.298	0.949	20	30		CCEDRM
C=C[C@@H]1OCCC[C@H]1NC(=O)N[C@H](C)CC(=O)[O-]	ZINC001588475069	958559897	/nfs/dbraw/zinc/55/98/97/958559897.db2.gz	VSEPNMHOBWKPEP-BBBLOLIVSA-N	-1	0	256.302	0.882	20	30		CCEDRM
CC#CC[C@H](CO)NC(=O)c1coc(/C=C/C(=O)[O-])c1	ZINC001588479029	958576819	/nfs/dbraw/zinc/57/68/19/958576819.db2.gz	UKFZVQQCVUQPHN-MVIFTORASA-N	-1	0	277.276	0.882	20	30		CCEDRM
C[C@@](C#N)(CC(=O)[O-])C(=O)N1C[C@@H]2CCC[C@]2(CO)C1	ZINC001573360737	958594105	/nfs/dbraw/zinc/59/41/05/958594105.db2.gz	YNNMDNVZYKIYGL-LEWSCRJBSA-N	-1	0	280.324	0.612	20	30		CCEDRM
CC(C)(C)CN(CCC#N)C(=O)c1cn(CC(=O)[O-])nn1	ZINC001573406510	958730660	/nfs/dbraw/zinc/73/06/60/958730660.db2.gz	YJMVZCIGACTQMN-UHFFFAOYSA-N	-1	0	293.327	0.765	20	30		CCEDRM
N#Cc1ncn(Cc2ccc(C(=O)[O-])cn2)c1C#N	ZINC000134159794	958831715	/nfs/dbraw/zinc/83/17/15/958831715.db2.gz	SKQSTIDQOOAKPL-UHFFFAOYSA-N	-1	0	253.221	0.768	20	30		CCEDRM
N#CCCCNS(=O)(=O)c1scnc1C(=O)[O-]	ZINC000134705419	958854606	/nfs/dbraw/zinc/85/46/06/958854606.db2.gz	PWOSVSBKFRGBAT-UHFFFAOYSA-N	-1	0	275.311	0.423	20	30		CCEDRM
C[C@@](C#N)(CC(=O)[O-])C(=O)N1CC[C@@H](Cn2ccnn2)C1	ZINC001588534864	958924814	/nfs/dbraw/zinc/92/48/14/958924814.db2.gz	KFUOUUOWPZLJBN-MFKMUULPSA-N	-1	0	291.311	0.131	20	30		CCEDRM
C[C@@](C#N)(CC(=O)[O-])C(=O)N1CCC2=C(CCC(=O)N2)C1	ZINC001588536364	958933404	/nfs/dbraw/zinc/93/34/04/958933404.db2.gz	WUDZFHPBPXAHIG-AWEZNQCLSA-N	-1	0	291.307	0.387	20	30		CCEDRM
C[C@@](C#N)(CC(=O)[O-])C(=O)OC[C@H]1CCC2(COC2)O1	ZINC001588540021	958957165	/nfs/dbraw/zinc/95/71/65/958957165.db2.gz	MKTPQONKSQMVQC-SKDRFNHKSA-N	-1	0	283.280	0.482	20	30		CCEDRM
C#CC[C@@H](NC(=O)c1cc(=O)c2ccccc2o1)C(=O)[O-]	ZINC000149937515	959032462	/nfs/dbraw/zinc/03/24/62/959032462.db2.gz	JBPREURBQPTZEF-SNVBAGLBSA-N	-1	0	285.255	0.999	20	30		CCEDRM
Cc1ccccc1Cn1c(=O)c(C#N)cn(CC(=O)[O-])c1=O	ZINC001594418263	959035247	/nfs/dbraw/zinc/03/52/47/959035247.db2.gz	PCIAKVKAULXHDV-UHFFFAOYSA-N	-1	0	299.286	0.323	20	30		CCEDRM
CSC[C@](C)(C#N)NC(=O)c1cc(C(=O)[O-])nn1C	ZINC001594185560	959120300	/nfs/dbraw/zinc/12/03/00/959120300.db2.gz	KXOIUTCKPLZWKL-NSHDSACASA-N	-1	0	282.325	0.493	20	30		CCEDRM
C#CC[C@@H](NS(=O)(=O)C1CCCCC1)C(=O)[O-]	ZINC000161267616	959180490	/nfs/dbraw/zinc/18/04/90/959180490.db2.gz	VRZCVSHVHOSOCY-SNVBAGLBSA-N	-1	0	259.327	0.715	20	30		CCEDRM
Cc1nc(C)n(C2CN(C(=O)[C@@](C)(C#N)CC(=O)[O-])C2)n1	ZINC001594450456	959366511	/nfs/dbraw/zinc/36/65/11/959366511.db2.gz	OUPMAOMUWOXUEH-CYBMUJFWSA-N	-1	0	291.311	0.283	20	30		CCEDRM
C[C@@H]1C[C@@]1(C(=O)[O-])C(=O)OCCOC1(C#N)CCOCC1	ZINC001594230575	959463858	/nfs/dbraw/zinc/46/38/58/959463858.db2.gz	BUKVXAGJKIUJDI-QMTHXVAHSA-N	-1	0	297.307	0.730	20	30		CCEDRM
C[C@@H](O)C(C)(C)CNC(=O)[C@@](C)(C#N)CC(=O)[O-]	ZINC001573634739	959583766	/nfs/dbraw/zinc/58/37/66/959583766.db2.gz	HOEADUJTQUWLGE-PRHODGIISA-N	-1	0	256.302	0.514	20	30		CCEDRM
C[C@@](O)(CNC(=O)Cc1cccc(OCC#N)c1)C(=O)[O-]	ZINC001603256656	972442301	/nfs/dbraw/zinc/44/23/01/972442301.db2.gz	CDVLGICAFHWVFW-CQSZACIVSA-N	-1	0	292.291	0.083	20	30		CCEDRM
C[C@@H]1CC[C@@H](C(=O)[O-])CN1c1cnc(C#N)c(C#N)n1	ZINC001573713054	959860626	/nfs/dbraw/zinc/86/06/26/959860626.db2.gz	WVJKUEMJCACCCD-RKDXNWHRSA-N	-1	0	271.280	0.909	20	30		CCEDRM
N#Cc1ccc(F)cc1CN1C[C@H](O)C[C@H]1C(=O)[O-]	ZINC000229088356	960057169	/nfs/dbraw/zinc/05/71/69/960057169.db2.gz	AVRLQTRGQLDKLF-NEPJUHHUSA-N	-1	0	264.256	0.717	20	30		CCEDRM
Cc1cc(C#N)nc(N2CCO[C@@H](CC(=O)[O-])C2)n1	ZINC000231894022	960214195	/nfs/dbraw/zinc/21/41/95/960214195.db2.gz	OARJZZIITDWEOV-JTQLQIEISA-N	-1	0	262.269	0.337	20	30		CCEDRM
N#Cc1ccc(S(=O)(=O)N2CC[C@H](C(=O)[O-])C2)nc1	ZINC001574249816	960505265	/nfs/dbraw/zinc/50/52/65/960505265.db2.gz	MSDQSGLABJXHES-VIFPVBQESA-N	-1	0	281.293	0.048	20	30		CCEDRM
N#Cc1cccc(C(=O)NC[C@@H](C(=O)[O-])[C@H]2CCOC2)n1	ZINC001571036237	960536229	/nfs/dbraw/zinc/53/62/29/960536229.db2.gz	WUMVJYNBSWGQEL-GXSJLCMTSA-N	-1	0	289.291	0.420	20	30		CCEDRM
C[C@]1(C#N)CN(C(=O)Nc2cccc(C(=O)[O-])n2)CCO1	ZINC001571036727	960545843	/nfs/dbraw/zinc/54/58/43/960545843.db2.gz	ZZPSVOPCDNIYFZ-ZDUSSCGKSA-N	-1	0	290.279	0.926	20	30		CCEDRM
C[C@@H](NC(=O)[C@@](C)(C#N)CC(=O)[O-])c1cnccn1	ZINC001574259500	960560675	/nfs/dbraw/zinc/56/06/75/960560675.db2.gz	KNAGVSCNYLJXSO-PRHODGIISA-N	-1	0	262.269	0.658	20	30		CCEDRM
CN(C(=O)c1cc(C#N)c[nH]1)[C@H](COC1CCC1)C(=O)[O-]	ZINC001571041131	960576356	/nfs/dbraw/zinc/57/63/56/960576356.db2.gz	BAVFQZSXPZTYHC-GFCCVEGCSA-N	-1	0	291.307	0.981	20	30		CCEDRM
N#Cc1ccc(NC(=O)COCC(=O)[O-])cc1C#N	ZINC000236435825	960596865	/nfs/dbraw/zinc/59/68/65/960596865.db2.gz	OEYVBOMITGYYBU-UHFFFAOYSA-N	-1	0	259.221	0.470	20	30		CCEDRM
C[C@@H](NC(=O)N1CCC(C#N)(C(=O)[O-])CC1)[C@H]1CCOC1	ZINC001571056232	960730729	/nfs/dbraw/zinc/73/07/29/960730729.db2.gz	RWONUEWOLWLMPF-MNOVXSKESA-N	-1	0	295.339	0.811	20	30		CCEDRM
C[C@H](NC(=O)[C@H](C)Nc1ncc(C#N)cc1Cl)C(=O)[O-]	ZINC001571062420	960792316	/nfs/dbraw/zinc/79/23/16/960792316.db2.gz	ZBZFWYSZTQMAPE-BQBZGAKWSA-N	-1	0	296.714	0.996	20	30		CCEDRM
COc1ccc(CN2C[C@H](O)C[C@H]2C(=O)[O-])cc1C#N	ZINC000253096840	961303767	/nfs/dbraw/zinc/30/37/67/961303767.db2.gz	QWEDYABYGSHDOB-NEPJUHHUSA-N	-1	0	276.292	0.587	20	30		CCEDRM
Cc1[nH]nc(NC(=O)C2(C(=O)[O-])CCOCC2)c1C#N	ZINC001574416175	961317399	/nfs/dbraw/zinc/31/73/99/961317399.db2.gz	UIBDEXXRVHETDP-UHFFFAOYSA-N	-1	0	278.268	0.410	20	30		CCEDRM
Cc1nn(CCC#N)c(C)c1OC(=O)COCC(=O)[O-]	ZINC001574434438	961394060	/nfs/dbraw/zinc/39/40/60/961394060.db2.gz	MOEVZXDKIQBOPZ-UHFFFAOYSA-N	-1	0	281.268	0.420	20	30		CCEDRM
N#CCn1cc(NC(=O)c2cc(C(=O)[O-])n[nH]2)cn1	ZINC001574479106	961647216	/nfs/dbraw/zinc/64/72/16/961647216.db2.gz	CTXUINMPSMSIEB-UHFFFAOYSA-N	-1	0	260.213	0.080	20	30		CCEDRM
N#C[C@]1(C(=O)Nc2cc(C(=O)[O-])n[nH]2)CCCOC1	ZINC001574480341	961662443	/nfs/dbraw/zinc/66/24/43/961662443.db2.gz	GQUZLNMYJZSBLX-LLVKDONJSA-N	-1	0	264.241	0.367	20	30		CCEDRM
N#Cc1ncn(CC(=O)NCc2ccccc2C(=O)[O-])n1	ZINC001574494195	961726377	/nfs/dbraw/zinc/72/63/77/961726377.db2.gz	YAKQVSHVNQGEFW-UHFFFAOYSA-N	-1	0	285.263	0.164	20	30		CCEDRM
COC(=O)CCN(CC(=O)[O-])C(=O)c1cc(C#N)[nH]c1C	ZINC001574055551	962176703	/nfs/dbraw/zinc/17/67/03/962176703.db2.gz	DQXVBKFXAOAPHU-UHFFFAOYSA-N	-1	0	293.279	0.285	20	30		CCEDRM
C#CCN(C(=O)CC[C@@H]1C[C@H](C(=O)[O-])CO1)C1CSC1	ZINC001573302181	962646611	/nfs/dbraw/zinc/64/66/11/962646611.db2.gz	RJYIJGPTHDFUFX-CMPLNLGQSA-N	-1	0	297.376	0.834	20	30		CCEDRM
C#C[C@H](NC(=O)c1cc(C(=O)[O-])on1)[C@H]1CCCO1	ZINC001573302539	962655193	/nfs/dbraw/zinc/65/51/93/962655193.db2.gz	NYKZMJOTLKMOTR-IONNQARKSA-N	-1	0	264.237	0.283	20	30		CCEDRM
C#CC[C@@H](NCc1ncc(C2OCCO2)s1)C(=O)[O-]	ZINC001573302681	962658568	/nfs/dbraw/zinc/65/85/68/962658568.db2.gz	DJYLIBOWKQXREP-MRVPVSSYSA-N	-1	0	282.321	0.755	20	30		CCEDRM
C#C[C@H]1COCCN1Cc1noc(CCCC(=O)[O-])n1	ZINC001573303120	962670245	/nfs/dbraw/zinc/67/02/45/962670245.db2.gz	VJHCJYSHWVMUSD-JTQLQIEISA-N	-1	0	279.296	0.311	20	30		CCEDRM
C#CCCCC(=O)N1C[C@@H](C)[C@@H](NC(=O)CNC(=O)[O-])C1	ZINC001573303945	962683346	/nfs/dbraw/zinc/68/33/46/962683346.db2.gz	VANMLAFWLXKPHU-MNOVXSKESA-N	-1	0	295.339	0.021	20	30		CCEDRM
C#CC[C@@H](NC(=O)c1ccc2[nH]cnc2c1F)C(=O)[O-]	ZINC001573304002	962685028	/nfs/dbraw/zinc/68/50/28/962685028.db2.gz	WKBYSSVWZXBIFR-SECBINFHSA-N	-1	0	275.239	0.908	20	30		CCEDRM
C#CCO[C@@H](C)C(=O)N(C)c1ncc(C(=O)[O-])s1	ZINC001573311230	962697400	/nfs/dbraw/zinc/69/74/00/962697400.db2.gz	KFANSGKLDCCDQD-ZETCQYMHSA-N	-1	0	268.294	0.842	20	30		CCEDRM
C=C(C)C[C@@H](NC(=O)COCc1nc(CC)no1)C(=O)[O-]	ZINC001573322073	962765581	/nfs/dbraw/zinc/76/55/81/962765581.db2.gz	UYEHZSZMOZHDGQ-SECBINFHSA-N	-1	0	297.311	0.684	20	30		CCEDRM
C=C(C)CCC(=O)NC1CN(C(=O)[C@H]2C[C@@H]2C(=O)[O-])C1	ZINC001573323447	962772474	/nfs/dbraw/zinc/77/24/74/962772474.db2.gz	BRGAPFHOAJOOSQ-QWRGUYRKSA-N	-1	0	280.324	0.390	20	30		CCEDRM
C=C(C)C[C@H](NC(C)=O)C(=O)NC[C@]1(C(=O)[O-])CCOC1	ZINC001573323419	962773240	/nfs/dbraw/zinc/77/32/40/962773240.db2.gz	BIYHKYGCPAERGG-SMDDNHRTSA-N	-1	0	298.339	0.065	20	30		CCEDRM
C=C(C)C[C@@H](NC(=O)COCC(=O)[O-])C(=O)OCC	ZINC001573328059	962808866	/nfs/dbraw/zinc/80/88/66/962808866.db2.gz	ZRNBAGNIDYVSHP-SECBINFHSA-N	-1	0	273.285	0.102	20	30		CCEDRM
C=C[C@@H](COC)NC(=O)N1C[C@@H](C(=O)[O-])[C@H](C2CC2)C1	ZINC001573329246	962812750	/nfs/dbraw/zinc/81/27/50/962812750.db2.gz	AYXJJSUUMZEBQJ-SDDRHHMPSA-N	-1	0	282.340	0.940	20	30		CCEDRM
C=C(CCC(=O)[O-])C(=O)N1CC[C@H](C2OCCO2)C1	ZINC001573331943	962820244	/nfs/dbraw/zinc/82/02/44/962820244.db2.gz	FDKPOOMPPVNLTB-JTQLQIEISA-N	-1	0	269.297	0.629	20	30		CCEDRM
C[C@@H](CC(=O)[O-])NC(=O)[C@@H](O)c1ccc(C#N)cc1	ZINC001588993955	962822428	/nfs/dbraw/zinc/82/24/28/962822428.db2.gz	XRRXLRURECXXIC-UFBFGSQYSA-N	-1	0	262.265	0.571	20	30		CCEDRM
C=C(CCC(=O)[O-])C(=O)N1CC[C@@H](O)C(F)(F)C1	ZINC001573332034	962823007	/nfs/dbraw/zinc/82/30/07/962823007.db2.gz	HDFDPOAPZHGUBO-MRVPVSSYSA-N	-1	0	263.240	0.636	20	30		CCEDRM
C=C(CCC(=O)[O-])C(=O)NCC[C@]1(O)CCCOC1	ZINC001573333311	962857098	/nfs/dbraw/zinc/85/70/98/962857098.db2.gz	YKSKOFKFLFVKHA-CYBMUJFWSA-N	-1	0	271.313	0.455	20	30		CCEDRM
C=C(Cl)CN1CC[C@H]1CNC(=O)CNC(=O)[O-]	ZINC001573338939	962883394	/nfs/dbraw/zinc/88/33/94/962883394.db2.gz	KYJJZQRCFXLFJA-QMMMGPOBSA-N	-1	0	261.709	0.197	20	30		CCEDRM
C=C(Cl)CN1CC[C@@H](N(C)C(=O)CNC(=O)[O-])C1	ZINC001573339838	962897493	/nfs/dbraw/zinc/89/74/93/962897493.db2.gz	YIUYPHDYAVHNNU-SECBINFHSA-N	-1	0	275.736	0.539	20	30		CCEDRM
C=C[C@@H](CC)CC(=O)NCC1CN(C(=O)CNC(=O)[O-])C1	ZINC001573347593	962950736	/nfs/dbraw/zinc/95/07/36/962950736.db2.gz	MQHRPMLPKBRSMX-JTQLQIEISA-N	-1	0	297.355	0.431	20	30		CCEDRM
C=CCCC(=O)NC1(CNC(=O)CNC(=O)[O-])CCCC1	ZINC001573352884	962994481	/nfs/dbraw/zinc/99/44/81/962994481.db2.gz	MDVAYCJZCKRSGU-UHFFFAOYSA-N	-1	0	297.355	0.765	20	30		CCEDRM
C=CCCCC(=O)NCCN(C)C(=O)[C@@H]1C[C@H]1C(=O)[O-]	ZINC001573356465	963007638	/nfs/dbraw/zinc/00/76/38/963007638.db2.gz	BYZWHJKBNHWOOF-GHMZBOCLSA-N	-1	0	282.340	0.638	20	30		CCEDRM
C=CCC[C@@H](CO)NC(=O)[C@H]1C[C@@H](C)[C@H](C(=O)[O-])O1	ZINC001573357714	963019873	/nfs/dbraw/zinc/01/98/73/963019873.db2.gz	REYZSXFWJVYOBI-LMLFDSFASA-N	-1	0	271.313	0.308	20	30		CCEDRM
C=CCCn1cc(CN2C[C@H](C)O[C@H](C(=O)[O-])C2)nn1	ZINC001573360363	963037048	/nfs/dbraw/zinc/03/70/48/963037048.db2.gz	MNTINUKCRJAHNU-JQWIXIFHSA-N	-1	0	280.328	0.528	20	30		CCEDRM
C[C@@H](c1ncc(C(=O)[O-])s1)N1CC(O)(CC#N)C1	ZINC001570990570	963153542	/nfs/dbraw/zinc/15/35/42/963153542.db2.gz	ZXYWDKNTOBZJMU-ZETCQYMHSA-N	-1	0	267.310	0.863	20	30		CCEDRM
N#Cc1ncc(NC2CCN(C(=O)[O-])CC2)nc1C#N	ZINC001570998585	963196151	/nfs/dbraw/zinc/19/61/51/963196151.db2.gz	GTOSNZXLFRUMLH-UHFFFAOYSA-N	-1	0	272.268	0.774	20	30		CCEDRM
N#Cc1cccc(C(=O)NC[C@@]2(C(=O)[O-])CCOC2)c1	ZINC001571001992	963220354	/nfs/dbraw/zinc/22/03/54/963220354.db2.gz	MMJDHROBMGHACM-AWEZNQCLSA-N	-1	0	274.276	0.779	20	30		CCEDRM
N#C[C@H]1COCCN1C(=O)CC[C@@H]1C[C@H](C(=O)[O-])CO1	ZINC001571018544	963321264	/nfs/dbraw/zinc/32/12/64/963321264.db2.gz	CDGCQPACHVMUMP-GARJFASQSA-N	-1	0	282.296	0.007	20	30		CCEDRM
C[C@H](NCc1nc(C#N)cs1)C(=O)N[C@@H](C)C(=O)[O-]	ZINC001571019048	963325852	/nfs/dbraw/zinc/32/58/52/963325852.db2.gz	OADBMHGESVNVRJ-BQBZGAKWSA-N	-1	0	282.325	0.082	20	30		CCEDRM
C=C(C)C[C@H](NC(C)=O)C(=O)N[C@H](C)CC(=O)[O-]	ZINC001588441499	964052233	/nfs/dbraw/zinc/05/22/33/964052233.db2.gz	JCMCJRYWFQNQCL-SCZZXKLOSA-N	-1	0	256.302	0.437	20	30		CCEDRM
C#CCN(CC(=O)[O-])C(=O)c1snnc1C(C)C	ZINC000092476934	967594322	/nfs/dbraw/zinc/59/43/22/967594322.db2.gz	CUDBKAGPKQFFFT-UHFFFAOYSA-N	-1	0	267.310	0.822	20	30		CCEDRM
C#CCN(CC(=O)[O-])CC(=O)Nc1ccc(C#N)cc1	ZINC000092484086	967597773	/nfs/dbraw/zinc/59/77/73/967597773.db2.gz	QXRSKIGOFJXYMB-UHFFFAOYSA-N	-1	0	271.276	0.517	20	30		CCEDRM
C#C[C@@H](C)NC(=O)N1CC[C@](COC)(C(=O)[O-])C1	ZINC000394101113	968212141	/nfs/dbraw/zinc/21/21/41/968212141.db2.gz	USFIPHQCXFQSAQ-SKDRFNHKSA-N	-1	0	254.286	0.141	20	30		CCEDRM
C#C[C@@H](C)NC(=O)C1=NN(c2ccccc2)[C@@H](C(=O)[O-])C1	ZINC001609623969	970424681	/nfs/dbraw/zinc/42/46/81/970424681.db2.gz	PSYBZVUKXRRULO-ZWNOBZJWSA-N	-1	0	285.303	0.844	20	30		CCEDRM
C[C@@H](C(=O)[O-])C(=O)OCC(=O)N(CC#N)c1ccccc1	ZINC001609706516	970483555	/nfs/dbraw/zinc/48/35/55/970483555.db2.gz	WLUYLYZBTOOVKH-JTQLQIEISA-N	-1	0	290.275	0.807	20	30		CCEDRM
C[C@](O)(CNC(=O)c1ccc(C2(C#N)CC2)cc1)C(=O)[O-]	ZINC001609784749	970526514	/nfs/dbraw/zinc/52/65/14/970526514.db2.gz	FDVXFWFMODZBOB-AWEZNQCLSA-N	-1	0	288.303	0.807	20	30		CCEDRM
C[C@@](O)(CNC(=O)C#Cc1cccs1)C(=O)[O-]	ZINC001609943327	970614388	/nfs/dbraw/zinc/61/43/88/970614388.db2.gz	UGMMHGLKSQYKFB-LLVKDONJSA-N	-1	0	253.279	0.051	20	30		CCEDRM
C[C@@](C#N)(CC(=O)[O-])C(=O)NCCC1(C)OCCO1	ZINC001610053926	970648422	/nfs/dbraw/zinc/64/84/22/970648422.db2.gz	NDAQBZDQRCPCPI-NSHDSACASA-N	-1	0	270.285	0.260	20	30		CCEDRM
C[C@@]1(C#N)CN(C(=O)C2(C(=O)[O-])CC=CC2)CCO1	ZINC001603290083	972542033	/nfs/dbraw/zinc/54/20/33/972542033.db2.gz	DLGHLAZXFDHWQM-GFCCVEGCSA-N	-1	0	264.281	0.548	20	30		CCEDRM
CN(CCCC(=O)[O-])c1cccc(S(N)(=O)=O)c1C#N	ZINC001604167657	972583372	/nfs/dbraw/zinc/58/33/72/972583372.db2.gz	XDFJVEMPUIZVRY-UHFFFAOYSA-N	-1	0	297.336	0.507	20	30		CCEDRM
COC(=O)c1coc(CNC(=O)[C@@](C)(C#N)CC(=O)[O-])c1	ZINC001604403491	973151846	/nfs/dbraw/zinc/15/18/46/973151846.db2.gz	QUFKXBMVXHQGLK-CYBMUJFWSA-N	-1	0	294.263	0.687	20	30		CCEDRM
CO[C@](C)(C(=O)[O-])C(=O)N1CCCc2nc(C#N)ccc21	ZINC001604451710	973284807	/nfs/dbraw/zinc/28/48/07/973284807.db2.gz	XVJWIYXRHILSNU-AWEZNQCLSA-N	-1	0	289.291	0.722	20	30		CCEDRM
COCC#CC(=O)NC[C@](C)(C(=O)[O-])c1ccccc1	ZINC001604505525	973435718	/nfs/dbraw/zinc/43/57/18/973435718.db2.gz	ZFQSDHVOVCHJJG-HNNXBMFYSA-N	-1	0	275.304	0.795	20	30		CCEDRM
O=C([O-])CCNC(=O)NCC#C[C@H]1CCCCO1	ZINC001606195473	973446313	/nfs/dbraw/zinc/44/63/13/973446313.db2.gz	PMLCJWXEKPBHFY-SNVBAGLBSA-N	-1	0	254.286	0.333	20	30		CCEDRM
Cc1nnc(NCCOCCOCC(=O)[O-])c(C#N)c1C	ZINC001605444827	973512282	/nfs/dbraw/zinc/51/22/82/973512282.db2.gz	XJRHSRWMHXJJMK-UHFFFAOYSA-N	-1	0	294.311	0.495	20	30		CCEDRM
C=C(Br)CN1C[C@H](C(=O)[O-])C[C@H](O)C1	ZINC000401910976	973524631	/nfs/dbraw/zinc/52/46/31/973524631.db2.gz	SYYLOWSOFPSLJK-SFYZADRCSA-N	-1	0	264.119	0.662	20	30		CCEDRM
N#Cc1ccc(F)cc1CN1C[C@@H](O)C[C@H](C(=O)[O-])C1	ZINC000401924610	973537881	/nfs/dbraw/zinc/53/78/81/973537881.db2.gz	QIJVBVNZCSHXDF-AAEUAGOBSA-N	-1	0	278.283	0.965	20	30		CCEDRM
Cc1oc(C#N)cc1C(=O)NC1(C(=O)[O-])CCOCC1	ZINC001605454902	973539235	/nfs/dbraw/zinc/53/92/35/973539235.db2.gz	OYXMHGMNGFIUPU-UHFFFAOYSA-N	-1	0	278.264	0.823	20	30		CCEDRM
Cc1nsc(NCCOCCOCC(=O)[O-])c1C#N	ZINC001605455326	973542907	/nfs/dbraw/zinc/54/29/07/973542907.db2.gz	JKIAQDRDYSOJIA-UHFFFAOYSA-N	-1	0	285.325	0.853	20	30		CCEDRM
N#Cc1c(F)cccc1N1C[C@H](O)C[C@@H](C(=O)[O-])C1	ZINC000401971140	973577613	/nfs/dbraw/zinc/57/76/13/973577613.db2.gz	MPXHCKMYDXYPHW-RKDXNWHRSA-N	-1	0	264.256	0.969	20	30		CCEDRM
N#CCC1(COC(=O)[C@@H]2CO[C@H](CCC(=O)[O-])C2)COC1	ZINC001605581490	973858572	/nfs/dbraw/zinc/85/85/72/973858572.db2.gz	AOSQXNQUEMGORV-WDEREUQCSA-N	-1	0	297.307	0.730	20	30		CCEDRM
N#Cc1ccc(NC(=O)N2CC[C@@H](C(=O)[O-])C2)nc1	ZINC001605612370	973925467	/nfs/dbraw/zinc/92/54/67/973925467.db2.gz	IULZHTPVVQTUAC-SECBINFHSA-N	-1	0	260.253	0.892	20	30		CCEDRM
CCC[C@H](C)[C@@H](CO)NC(=O)[C@](C)(C#N)CC(=O)[O-]	ZINC001603632864	973954987	/nfs/dbraw/zinc/95/49/87/973954987.db2.gz	NGAFMQVFWPTESE-CWSCBRNRSA-N	-1	0	270.329	0.904	20	30		CCEDRM
CC(C)n1cc(CN(CC#N)CCC(=O)[O-])nn1	ZINC001592126973	976953542	/nfs/dbraw/zinc/95/35/42/976953542.db2.gz	RBEXXCPZAUHNRU-UHFFFAOYSA-N	-1	0	251.290	0.659	20	30		CCEDRM
C[C@H](/C=C\C(=O)[O-])NC(=O)CC1(C#N)CCOCC1	ZINC001592189984	977122613	/nfs/dbraw/zinc/12/26/13/977122613.db2.gz	CDVUWORQWGAEBF-MXQLGCADSA-N	-1	0	266.297	0.842	20	30		CCEDRM
C[C@H](/C=C/C(=O)[O-])NS(=O)(=O)CC1(C#N)CC1	ZINC001592220375	977393189	/nfs/dbraw/zinc/39/31/89/977393189.db2.gz	XJVUKZORTBKEDU-UFUPEUMYSA-N	-1	0	258.299	0.239	20	30		CCEDRM
C[C@H](CC(=O)[O-])CC(=O)Nc1nn(C)cc1C#N	ZINC001592395704	977955200	/nfs/dbraw/zinc/95/52/00/977955200.db2.gz	NDSUFZWRDKPWRT-ZETCQYMHSA-N	-1	0	250.258	0.731	20	30		CCEDRM
C[C@H](CN(C)c1ccc(C(=O)[O-])nc1C#N)c1nn[nH]n1	ZINC001592588597	978513942	/nfs/dbraw/zinc/51/39/42/978513942.db2.gz	MWUWNSGSCBWEAK-SSDOTTSWSA-N	-1	0	287.283	0.404	20	30		CCEDRM
CC[C@H](CC#N)NS(=O)(=O)c1occc1C(=O)[O-]	ZINC001595030619	979169251	/nfs/dbraw/zinc/16/92/51/979169251.db2.gz	UFEVSIAJMGMYFN-SSDOTTSWSA-N	-1	0	272.282	0.948	20	30		CCEDRM
CC[C@H](CNC(=O)[C@H](C)C#N)Nc1ncc(C(=O)[O-])cn1	ZINC001595135051	979571391	/nfs/dbraw/zinc/57/13/91/979571391.db2.gz	ISGLCWAZFXACCY-PSASIEDQSA-N	-1	0	291.311	0.641	20	30		CCEDRM
CC[C@@](COC)(NC(=O)CC1(C#N)CCOCC1)C(=O)[O-]	ZINC001595187426	979843844	/nfs/dbraw/zinc/84/38/44/979843844.db2.gz	LXNLMXLXZDEIBC-AWEZNQCLSA-N	-1	0	298.339	0.693	20	30		CCEDRM
CC(F)(F)CCS(=O)(=O)N(CC#N)CCC(=O)[O-]	ZINC001592940179	980011977	/nfs/dbraw/zinc/01/19/77/980011977.db2.gz	ZZRQZEMTAVVPJV-UHFFFAOYSA-N	-1	0	284.284	0.662	20	30		CCEDRM
C[C@@H](NC(=O)CC(C)(C)C)C(=O)N(CC#N)CCC(=O)[O-]	ZINC001593011204	980245998	/nfs/dbraw/zinc/24/59/98/980245998.db2.gz	OGHSAUQMAJOICM-SNVBAGLBSA-N	-1	0	297.355	0.754	20	30		CCEDRM
CC/C=C\[C@H](OC(=O)[C@@H](C)n1cnc(C#N)n1)C(=O)[O-]	ZINC001595514701	981317134	/nfs/dbraw/zinc/31/71/34/981317134.db2.gz	MKXXHMXQVUKDIT-KHTCFXRASA-N	-1	0	278.268	0.673	20	30		CCEDRM
CC[C@@H](C(=O)[O-])C(=O)OCC(=O)N(CC)C[C@@H](C)C#N	ZINC001594764564	981709345	/nfs/dbraw/zinc/70/93/45/981709345.db2.gz	IHABVOCOGPEVGC-UWVGGRQHSA-N	-1	0	284.312	0.649	20	30		CCEDRM
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CC[C@H](C)NC(=O)[C@H](C)N(CC#N)CCC(=O)[O-]	ZINC001594988362	982834705	/nfs/dbraw/zinc/83/47/05/982834705.db2.gz	ZWDUFYRKCXGLHO-UWVGGRQHSA-N	-1	0	255.318	0.590	20	30		CCEDRM
C[C@@H](C(=O)NCCCCCC(=O)[O-])n1cnc(C#N)n1	ZINC001573591000	983067122	/nfs/dbraw/zinc/06/71/22/983067122.db2.gz	QPOQIKCPJAMYFL-VIFPVBQESA-N	-1	0	279.300	0.472	20	30		CCEDRM
C#C[C@H](C)NS(=O)(=O)CC1(C(=O)[O-])CCCCC1	ZINC001588368332	983305778	/nfs/dbraw/zinc/30/57/78/983305778.db2.gz	KLLFCWDPKSWRJD-JTQLQIEISA-N	-1	0	273.354	0.963	20	30		CCEDRM
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C#CC[C@H](NC(=O)[C@H]1CCC[C@@H](OC)C1)C(=O)[O-]	ZINC001588406462	983425454	/nfs/dbraw/zinc/42/54/54/983425454.db2.gz	QRYMZUFTXSJXSM-AXFHLTTASA-N	-1	0	253.298	0.784	20	30		CCEDRM
C#CC[C@@H](NC(=O)[C@H]1CC[C@@H](C(=O)OCC)C1)C(=O)[O-]	ZINC001588407532	983428756	/nfs/dbraw/zinc/42/87/56/983428756.db2.gz	JOOCCJAOSSTYMF-HBNTYKKESA-N	-1	0	281.308	0.559	20	30		CCEDRM
C#CC[C@@H](NC(=O)c1cc(Cn2cccn2)on1)C(=O)[O-]	ZINC001588414217	983433328	/nfs/dbraw/zinc/43/33/28/983433328.db2.gz	PJLQFWUUVBZEFW-SNVBAGLBSA-N	-1	0	288.263	0.126	20	30		CCEDRM
C#CC[C@@H](NC(=O)c1c(Cl)n[nH]c1CC)C(=O)[O-]	ZINC001588414406	983434183	/nfs/dbraw/zinc/43/41/83/983434183.db2.gz	SLARURYOJMSDSW-SSDOTTSWSA-N	-1	0	269.688	0.832	20	30		CCEDRM
C#CC[C@H](NC(=O)c1cnc(C2CC2)[nH]c1=O)C(=O)[O-]	ZINC001588415843	983435574	/nfs/dbraw/zinc/43/55/74/983435574.db2.gz	GLGCFHBYOHXFLL-VIFPVBQESA-N	-1	0	275.264	0.266	20	30		CCEDRM
C#CC[C@@H](NC(=O)c1cccc(C(=O)OC)n1)C(=O)[O-]	ZINC001588415938	983436005	/nfs/dbraw/zinc/43/60/05/983436005.db2.gz	ILNCOURVHJBTOQ-SECBINFHSA-N	-1	0	276.248	0.075	20	30		CCEDRM
C#CC[C@H](NC(=O)c1cccc(C(=O)NC)c1)C(=O)[O-]	ZINC001588417053	983438396	/nfs/dbraw/zinc/43/83/96/983438396.db2.gz	WAHWAGJAIOSZMV-NSHDSACASA-N	-1	0	274.276	0.253	20	30		CCEDRM
C#CC[C@H](NS(=O)(=O)C[C@@H]1CCC1(F)F)C(=O)[O-]	ZINC001588423262	983451792	/nfs/dbraw/zinc/45/17/92/983451792.db2.gz	BAOYNLADCPTZEN-YUMQZZPRSA-N	-1	0	281.280	0.428	20	30		CCEDRM
C#CCC1(O)CCN(C(=O)N[C@H]2C[C@@H](C(=O)[O-])C2)CC1	ZINC001588431504	983465106	/nfs/dbraw/zinc/46/51/06/983465106.db2.gz	JVMUYRHZYWPHHB-PHIMTYICSA-N	-1	0	280.324	0.409	20	30		CCEDRM
C#CC[C@@H]1CCN(S(=O)(=O)[C@H]2CC[C@@H](C(=O)[O-])C2)C1	ZINC001588433685	983468189	/nfs/dbraw/zinc/46/81/89/983468189.db2.gz	BTZCGEVOCYZZIZ-UTUOFQBUSA-N	-1	0	285.365	0.915	20	30		CCEDRM
C#CCCn1nnnc1N1C[C@@H](C)[C@H](CC(=O)[O-])C1	ZINC001588458364	983483237	/nfs/dbraw/zinc/48/32/37/983483237.db2.gz	NTDIEVWQEJWZOP-NXEZZACHSA-N	-1	0	263.301	0.243	20	30		CCEDRM
C#CCN(C)C(=O)C(=O)Nc1ccc(F)c(C(=O)[O-])c1	ZINC001588461337	983489332	/nfs/dbraw/zinc/48/93/32/983489332.db2.gz	LXPDGQYCWAZIHF-UHFFFAOYSA-N	-1	0	278.239	0.554	20	30		CCEDRM
C#CCN(CC#N)CC(=O)Nc1ccsc1C(=O)[O-]	ZINC001588464869	983495072	/nfs/dbraw/zinc/49/50/72/983495072.db2.gz	QUZDLXIZHWQZIU-UHFFFAOYSA-N	-1	0	277.305	0.844	20	30		CCEDRM
C#CCOCCC(=O)N[C@@](C)(CC(=O)[O-])c1cccnc1	ZINC001588489560	983528051	/nfs/dbraw/zinc/52/80/51/983528051.db2.gz	DJBUPVPDGGEFRM-HNNXBMFYSA-N	-1	0	290.319	0.928	20	30		CCEDRM
C#CCOCCC(=O)N1CCSC[C@H]1C(=O)[O-]	ZINC001588489661	983528733	/nfs/dbraw/zinc/52/87/33/983528733.db2.gz	IWAKMTDKVUWOFI-VIFPVBQESA-N	-1	0	257.311	0.055	20	30		CCEDRM
C#CCOCCC(=O)Nc1c(C)nn(CCC(=O)[O-])c1C	ZINC001588489972	983530202	/nfs/dbraw/zinc/53/02/02/983530202.db2.gz	PHOLHDKXDAEMSP-UHFFFAOYSA-N	-1	0	293.323	0.953	20	30		CCEDRM
C#CCO[C@@H](C)C(=O)NCc1ccnc(C(=O)[O-])c1	ZINC001588490558	983532916	/nfs/dbraw/zinc/53/29/16/983532916.db2.gz	PNGJNSGDDVYITE-VIFPVBQESA-N	-1	0	262.265	0.434	20	30		CCEDRM
C#CCOCCNS(=O)(=O)[C@H]1CCCC[C@@H]1C(=O)[O-]	ZINC001588490983	983534925	/nfs/dbraw/zinc/53/49/25/983534925.db2.gz	BBQPOMIPUISBMM-QWRGUYRKSA-N	-1	0	289.353	0.199	20	30		CCEDRM
C#CCSCC(=O)N[C@@H](C(=O)[O-])c1cccnc1	ZINC001588505189	983549878	/nfs/dbraw/zinc/54/98/78/983549878.db2.gz	YAWFHJDJYHNYTQ-LLVKDONJSA-N	-1	0	264.306	0.690	20	30		CCEDRM
C#CCSCC(=O)O[C@H](C)c1cn(CC(=O)[O-])nn1	ZINC001588506339	983551555	/nfs/dbraw/zinc/55/15/55/983551555.db2.gz	QGVUFGPSCCIZAL-MRVPVSSYSA-N	-1	0	283.309	0.333	20	30		CCEDRM
C=C(C)C[C@@H](CO)NC(=O)CCSCC(=O)[O-]	ZINC001588536856	983596281	/nfs/dbraw/zinc/59/62/81/983596281.db2.gz	UVHKGMINSPBISK-VIFPVBQESA-N	-1	0	261.343	0.638	20	30		CCEDRM
C=C(C)C[C@@H](CO)NC(=O)c1cc(C(=O)[O-])no1	ZINC001588537385	983599470	/nfs/dbraw/zinc/59/94/70/983599470.db2.gz	OHXDNUSGTLXPTI-ZETCQYMHSA-N	-1	0	254.242	0.430	20	30		CCEDRM
C=C(C)C[C@H](CO)NC(=O)Nc1nn(C)cc1C(=O)[O-]	ZINC001588537840	983602601	/nfs/dbraw/zinc/60/26/01/983602601.db2.gz	ZPUFSLIJSXLHHJ-MRVPVSSYSA-N	-1	0	282.300	0.567	20	30		CCEDRM
C=C(C)C[C@H](NC(=O)CCCNC(=O)OC)C(=O)[O-]	ZINC001588541141	983606401	/nfs/dbraw/zinc/60/64/01/983606401.db2.gz	SSIUJPMUIJSTGQ-VIFPVBQESA-N	-1	0	272.301	0.658	20	30		CCEDRM
C=C(C)C[C@H](NC(=O)CCCc1nnn[n-]1)C(=O)[O-]	ZINC001588541143	983606421	/nfs/dbraw/zinc/60/64/21/983606421.db2.gz	STGAXXSRUSQDSX-QMMMGPOBSA-N	-1	0	267.289	0.058	20	30		CCEDRM
C=C(C)C[C@H](NC(=O)CN1CCCCC(=O)C1=O)C(=O)[O-]	ZINC001588542793	983609634	/nfs/dbraw/zinc/60/96/34/983609634.db2.gz	RKFFOCGUGZZWGY-JTQLQIEISA-N	-1	0	296.323	0.104	20	30		CCEDRM
C=C(C)C[C@H](NC(=O)Cn1nnc2ccccc21)C(=O)[O-]	ZINC001588543511	983611619	/nfs/dbraw/zinc/61/16/19/983611619.db2.gz	JAEKEZMUBKRKAV-NSHDSACASA-N	-1	0	288.307	0.967	20	30		CCEDRM
C=C(C)C[C@@H](NC(=O)Cc1nnc(NC)s1)C(=O)[O-]	ZINC001588544273	983613896	/nfs/dbraw/zinc/61/38/96/983613896.db2.gz	ZTWNCHHOXVFIFT-SSDOTTSWSA-N	-1	0	284.341	0.658	20	30		CCEDRM
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C=C(CCC(=O)[O-])C(=O)N1CCc2ccnc(N)c2C1	ZINC001588618944	983713852	/nfs/dbraw/zinc/71/38/52/983713852.db2.gz	GCUGEQPMVVYQEU-UHFFFAOYSA-N	-1	0	275.308	0.970	20	30		CCEDRM
C=C(CCC(=O)[O-])C(=O)NC1CCC(C(=O)NC)CC1	ZINC001588621570	983720239	/nfs/dbraw/zinc/72/02/39/983720239.db2.gz	GUBILXAWMQBLBX-UHFFFAOYSA-N	-1	0	282.340	0.828	20	30		CCEDRM
C=C(CCC(=O)[O-])C(=O)NCC(C)(C)CS(C)(=O)=O	ZINC001588623195	983726964	/nfs/dbraw/zinc/72/69/64/983726964.db2.gz	LKLKRYNNANQFAC-UHFFFAOYSA-N	-1	0	291.369	0.594	20	30		CCEDRM
C=C(CCC(=O)[O-])C(=O)NCC1CCN(CC#N)CC1	ZINC001588624491	983732664	/nfs/dbraw/zinc/73/26/64/983732664.db2.gz	KUMRXHWSVZQECJ-UHFFFAOYSA-N	-1	0	279.340	0.759	20	30		CCEDRM
C=C(CCC(=O)OC)C(=O)N[C@](C)(C(=O)[O-])C1CC1	ZINC001588633608	983750321	/nfs/dbraw/zinc/75/03/21/983750321.db2.gz	PZLYRNVKIXLPSL-ZDUSSCGKSA-N	-1	0	269.297	0.865	20	30		CCEDRM
C=C(CO)C(=O)NC[C@H](Oc1ccc(F)cc1)C(=O)[O-]	ZINC001588637140	983759104	/nfs/dbraw/zinc/75/91/04/983759104.db2.gz	ILTHKTYNOZSMSH-NSHDSACASA-N	-1	0	283.255	0.322	20	30		CCEDRM
C=C[C@@H](C(=O)[O-])N1CCO[C@@H](C(=O)OC(C)(C)C)C1	ZINC001588669707	983814462	/nfs/dbraw/zinc/81/44/62/983814462.db2.gz	NTLHWFCACPIXKF-VHSXEESVSA-N	-1	0	271.313	0.668	20	30		CCEDRM
C=C[C@@H](C(=O)[O-])N1CCN(C2=NC[C@H](C)S2)CC1	ZINC001588669822	983815383	/nfs/dbraw/zinc/81/53/83/983815383.db2.gz	QNQKSWWAKCVZSU-UWVGGRQHSA-N	-1	0	269.370	0.735	20	30		CCEDRM
C=C[C@@](C)(O)CC(=O)NC1(C(=O)[O-])CCOCC1	ZINC001588684569	983861716	/nfs/dbraw/zinc/86/17/16/983861716.db2.gz	UBPAWDGNOXNVHS-LLVKDONJSA-N	-1	0	257.286	0.064	20	30		CCEDRM
C=C[C@H](O)C(=O)N1C[C@@H](c2ccc(O)cc2)[C@H](C(=O)[O-])C1	ZINC001588702054	983918265	/nfs/dbraw/zinc/91/82/65/983918265.db2.gz	HMEPHZMSLQVNDQ-XQQFMLRXSA-N	-1	0	291.303	0.566	20	30		CCEDRM
C=C[C@@H](O)C(=O)N(CCC(=O)[O-])CC(=O)OC(C)(C)C	ZINC001588702408	983920419	/nfs/dbraw/zinc/92/04/19/983920419.db2.gz	SELXFOQEJQJGKK-SECBINFHSA-N	-1	0	287.312	0.178	20	30		CCEDRM
C=CCC(C)(C)C(=O)N1C[C@H](C(=O)OC)[C@H](C(=O)[O-])C1	ZINC001588731932	984013810	/nfs/dbraw/zinc/01/38/10/984013810.db2.gz	QVCGUSOBPNWXKA-ZJUUUORDSA-N	-1	0	283.324	0.921	20	30		CCEDRM
C=CCC(F)(F)C(=O)OCC(=O)N[C@H](C(=O)[O-])C(C)C	ZINC001588742411	984032596	/nfs/dbraw/zinc/03/25/96/984032596.db2.gz	CHFKZLARQJUHCU-VIFPVBQESA-N	-1	0	293.266	0.966	20	30		CCEDRM
C=CC[C@@H](CO)NC(=O)c1cc(C(=O)[O-])cc([N+](=O)[O-])c1	ZINC001588744460	984042457	/nfs/dbraw/zinc/04/24/57/984042457.db2.gz	LWHBBIDWOKLXMF-JTQLQIEISA-N	-1	0	294.263	0.960	20	30		CCEDRM
C=CC[C@H](OC(=O)[C@@H](C)N1C(=O)CCC1=O)C(=O)[O-]	ZINC001588751949	984079058	/nfs/dbraw/zinc/07/90/58/984079058.db2.gz	RTRIPNWNWKWXSE-SFYZADRCSA-N	-1	0	269.253	0.096	20	30		CCEDRM
C=CCCCC(=O)O[C@@H]1CCN(CCC(=O)[O-])C1=O	ZINC001588782607	984173332	/nfs/dbraw/zinc/17/33/32/984173332.db2.gz	KKPZLHSRCCQZCP-SNVBAGLBSA-N	-1	0	269.297	0.962	20	30		CCEDRM
C=CCCC[C@H](NC(=O)CN(CC)C(=O)C=C)C(=O)[O-]	ZINC001588788606	984191735	/nfs/dbraw/zinc/19/17/35/984191735.db2.gz	IFLAMPQANKWLCS-NSHDSACASA-N	-1	0	282.340	0.947	20	30		CCEDRM
C=CCCC[C@H](NC(=O)[C@@H]1C[C@@H]1C(N)=O)C(=O)[O-]	ZINC001588794157	984224812	/nfs/dbraw/zinc/22/48/12/984224812.db2.gz	MVHQWRIICOBCSD-YIZRAAEISA-N	-1	0	254.286	0.034	20	30		CCEDRM
C=CCCCNC(=O)N1CC[C@H](n2cc(C(=O)[O-])nn2)C1	ZINC001588803646	984251156	/nfs/dbraw/zinc/25/11/56/984251156.db2.gz	ADDVYKVJOKRZRP-JTQLQIEISA-N	-1	0	293.327	0.899	20	30		CCEDRM
C=CCCON1C(=O)[C@H]2CC[C@@H](C(=O)[O-])CN2C1=O	ZINC001588813359	984269719	/nfs/dbraw/zinc/26/97/19/984269719.db2.gz	PTZYUIHVZHWJOP-RKDXNWHRSA-N	-1	0	268.269	0.622	20	30		CCEDRM
C=CCN(C(=O)NCCC(=O)NCCC(=O)[O-])C1CC1	ZINC001588820676	984285576	/nfs/dbraw/zinc/28/55/76/984285576.db2.gz	NTAFTCUUQALESN-UHFFFAOYSA-N	-1	0	283.328	0.327	20	30		CCEDRM
C=CCN(C)C(=O)C(=O)NCc1ccccc1CC(=O)[O-]	ZINC001588822882	984293006	/nfs/dbraw/zinc/29/30/06/984293006.db2.gz	VXCDQEBIAQKAHV-UHFFFAOYSA-N	-1	0	290.319	0.574	20	30		CCEDRM
C=CCN(CC(=O)N[C@H](C(=O)[O-])C(C)C)[C@@H](C)COC	ZINC001588823945	984294951	/nfs/dbraw/zinc/29/49/51/984294951.db2.gz	GDCRSBHSEHQZRG-AAEUAGOBSA-N	-1	0	286.372	0.735	20	30		CCEDRM
C=CCN1CC[C@@H](N(C)C(=O)[C@H](CC)C(=O)[O-])C1=O	ZINC001588836625	984328878	/nfs/dbraw/zinc/32/88/78/984328878.db2.gz	CURLHWXOLHHAMD-VHSXEESVSA-N	-1	0	268.313	0.343	20	30		CCEDRM
C=CCNC(=O)N[C@@H]1CCOC2(CC(C(=O)[O-])C2)C1	ZINC001588843634	984353122	/nfs/dbraw/zinc/35/31/22/984353122.db2.gz	CAVZVYALXLDNDC-RUETXSTFSA-N	-1	0	268.313	0.884	20	30		CCEDRM
C=CCOC[C@@H](NC(=O)C(=O)N1CCC[C@H](C)C1)C(=O)[O-]	ZINC001588851098	984383196	/nfs/dbraw/zinc/38/31/96/984383196.db2.gz	UFJJKRIMKYIWOP-WDEREUQCSA-N	-1	0	298.339	0.017	20	30		CCEDRM
C=CCOCC(=O)N[C@@H](C)CNc1ncc(C(=O)[O-])cn1	ZINC001588851208	984383833	/nfs/dbraw/zinc/38/38/33/984383833.db2.gz	ZDEMJNOTMKZBSP-VIFPVBQESA-N	-1	0	294.311	0.294	20	30		CCEDRM
C=CCOC[C@@H](NC(=O)CCc1cc(C)n[nH]1)C(=O)[O-]	ZINC001588854278	984389520	/nfs/dbraw/zinc/38/95/20/984389520.db2.gz	UJWRWAVBZNAGPS-LLVKDONJSA-N	-1	0	281.312	0.423	20	30		CCEDRM
C=CCOC[C@H](NC(=O)[C@@H]1CCN(C(=O)CC)C1)C(=O)[O-]	ZINC001588855959	984396032	/nfs/dbraw/zinc/39/60/32/984396032.db2.gz	SPCHPGYKQLGWHU-MNOVXSKESA-N	-1	0	298.339	0.017	20	30		CCEDRM
C=CCOC[C@H](NC(=O)c1ccnc(F)c1OC)C(=O)[O-]	ZINC001588859958	984409782	/nfs/dbraw/zinc/40/97/82/984409782.db2.gz	CVSVXPFOVZLKRZ-VIFPVBQESA-N	-1	0	298.270	0.615	20	30		CCEDRM
C=CCOC[C@H](NC(=O)c1cccc(C#N)c1)C(=O)[O-]	ZINC001588861698	984416018	/nfs/dbraw/zinc/41/60/18/984416018.db2.gz	KHFDLKRFUSBQOY-LBPRGKRZSA-N	-1	0	274.276	0.944	20	30		CCEDRM
C=CCOCCCC(=O)N(CC(=O)[O-])CC(=O)OC	ZINC001588866641	984426555	/nfs/dbraw/zinc/42/65/55/984426555.db2.gz	OJYUXURQJDACSO-UHFFFAOYSA-N	-1	0	273.285	0.055	20	30		CCEDRM
C=CCOCCCNC(=O)N1C[C@@H](C)O[C@H](C(=O)[O-])C1	ZINC001588866839	984428280	/nfs/dbraw/zinc/42/82/80/984428280.db2.gz	RFSDGILZYAHGTQ-MNOVXSKESA-N	-1	0	286.328	0.463	20	30		CCEDRM
C=CCOc1cccnc1C(=O)O[C@@H](C)C(=O)C(=O)[O-]	ZINC001588878906	984456148	/nfs/dbraw/zinc/45/61/48/984456148.db2.gz	NOBGGSPGRKAXSF-QMMMGPOBSA-N	-1	0	279.248	0.845	20	30		CCEDRM
C=CCn1cc(CNc2ncc(C(=O)[O-])cn2)nn1	ZINC001588909007	984540976	/nfs/dbraw/zinc/54/09/76/984540976.db2.gz	DVZSAXOGBUWJRQ-UHFFFAOYSA-N	-1	0	260.257	0.564	20	30		CCEDRM
C=C[C@@H]1OCC[C@H]1C(=O)Nc1cc(C(=O)[O-])nn1C	ZINC001588916381	984560045	/nfs/dbraw/zinc/56/00/45/984560045.db2.gz	JFKUIMYJJHAMOB-APPZFPTMSA-N	-1	0	265.269	0.648	20	30		CCEDRM
C=C[C@@H]1OCC[C@H]1C(=O)N[C@H](C[C@H]1CCCOC1)C(=O)[O-]	ZINC001588917008	984564714	/nfs/dbraw/zinc/56/47/14/984564714.db2.gz	KOGVCAMGGGEPHW-LPWJVIDDSA-N	-1	0	297.351	0.964	20	30		CCEDRM
CC#CC[C@H](CO)NC(=O)c1cc(C)c(C(=O)[O-])o1	ZINC001588926208	984592065	/nfs/dbraw/zinc/59/20/65/984592065.db2.gz	NIAILMXECQXIND-SECBINFHSA-N	-1	0	265.265	0.790	20	30		CCEDRM
CC#CCCNC(=O)C(=O)NCc1cc(C(=O)[O-])c(C)o1	ZINC001588927135	984597354	/nfs/dbraw/zinc/59/73/54/984597354.db2.gz	OJFANYFOGIZKGE-UHFFFAOYSA-N	-1	0	292.291	0.432	20	30		CCEDRM
CC#CCCN1C[C@H](C(=O)[O-])CC[C@@H]1C(=O)OC	ZINC001588927150	984597371	/nfs/dbraw/zinc/59/73/71/984597371.db2.gz	OYIIQOGEUVRFIZ-GHMZBOCLSA-N	-1	0	253.298	0.738	20	30		CCEDRM
CC#CCN(C)C(=O)C(=O)Nc1ccc(C(=O)[O-])cc1F	ZINC001588931107	984601178	/nfs/dbraw/zinc/60/11/78/984601178.db2.gz	KXUJVQUESPQPNH-UHFFFAOYSA-N	-1	0	292.266	0.944	20	30		CCEDRM
C/C(=C/c1ccccn1)C(=O)N(CC#N)CC(=O)[O-]	ZINC001589003485	984952948	/nfs/dbraw/zinc/95/29/48/984952948.db2.gz	BELRBCLVHVWFLL-NTMALXAHSA-N	-1	0	259.265	0.922	20	30		CCEDRM
C[C@H]1CN(C(=O)C2(C#N)CCC2)C[C@@H](C(=O)[O-])O1	ZINC001599911568	984991898	/nfs/dbraw/zinc/99/18/98/984991898.db2.gz	BPTSBPNAUWFFCL-IUCAKERBSA-N	-1	0	252.270	0.381	20	30		CCEDRM
CC(=NNC1CCSCC1)c1cn(CC(=O)[O-])nn1	ZINC001589016618	984996378	/nfs/dbraw/zinc/99/63/78/984996378.db2.gz	CZIWVVAFDVKNOO-UHFFFAOYSA-N	-1	0	283.357	0.572	20	30		CCEDRM
CC(=NN[C@@H]1CCS(=O)(=O)C1)c1cc(C(=O)[O-])co1	ZINC001589017089	985000867	/nfs/dbraw/zinc/00/08/67/985000867.db2.gz	WXVAVTLCGYZHRF-SECBINFHSA-N	-1	0	286.309	0.479	20	30		CCEDRM
CC(=O)NCCCNc1ccc(C(=O)[O-])nc1C#N	ZINC001589137643	985441303	/nfs/dbraw/zinc/44/13/03/985441303.db2.gz	LQPHTSFYHGEQNC-UHFFFAOYSA-N	-1	0	262.269	0.590	20	30		CCEDRM
Cc1[nH]c(C#N)cc1C(=O)N1CCOC[C@H]1C(=O)[O-]	ZINC001599942207	985468953	/nfs/dbraw/zinc/46/89/53/985468953.db2.gz	DNFZKRBXKPMHII-JTQLQIEISA-N	-1	0	263.253	0.120	20	30		CCEDRM
CCOC[C@@H]1CN(c2ccc(C(=O)[O-])nc2C#N)CCO1	ZINC001596897618	985857522	/nfs/dbraw/zinc/85/75/22/985857522.db2.gz	WKDUULVWOLFMAT-JTQLQIEISA-N	-1	0	291.307	0.893	20	30		CCEDRM
C[C@@](C#N)(NC(=O)CN1C[C@@H](F)C[C@H]1C(=O)[O-])C1CC1	ZINC001589323709	986149065	/nfs/dbraw/zinc/14/90/65/986149065.db2.gz	KQYDFFYXAYEXRQ-KWBADKCTSA-N	-1	0	283.303	0.292	20	30		CCEDRM
C[C@H](C#N)C(=O)N[C@H](Cc1ccccc1O)C(=O)[O-]	ZINC001589328949	986159668	/nfs/dbraw/zinc/15/96/68/986159668.db2.gz	HCXADXYHDMHFOV-PSASIEDQSA-N	-1	0	262.265	0.664	20	30		CCEDRM
C[C@@H](C#N)CN(C)CC(=O)NC1(C(=O)[O-])CCCCC1	ZINC001589329159	986162326	/nfs/dbraw/zinc/16/23/26/986162326.db2.gz	KBTXTVHVPGEYFS-NSHDSACASA-N	-1	0	281.356	0.982	20	30		CCEDRM
C[C@@H](C#N)N(C)S(=O)(=O)c1cccc(CC(=O)[O-])c1	ZINC001589331345	986183706	/nfs/dbraw/zinc/18/37/06/986183706.db2.gz	BKHNVOXBYMROGZ-VIFPVBQESA-N	-1	0	282.321	0.846	20	30		CCEDRM
C[C@@H](C(=O)N1CCC(C(=O)[O-])CC1)N1CC[C@@](C)(C#N)C1	ZINC001589349064	986297656	/nfs/dbraw/zinc/29/76/56/986297656.db2.gz	DRHADBUQYMUQKA-NHYWBVRUSA-N	-1	0	293.367	0.934	20	30		CCEDRM
C[C@H](C(=O)N[C@H](CC1CC1)C(=O)[O-])n1cnc(C#N)n1	ZINC001589385950	986482265	/nfs/dbraw/zinc/48/22/65/986482265.db2.gz	QBCPSGRPUZLGQO-VXNVDRBHSA-N	-1	0	277.284	0.080	20	30		CCEDRM
C[C@H](C(=O)O[C@@H]1CCCC[C@@H]1C(=O)[O-])n1cnc(C#N)n1	ZINC001589542691	987255072	/nfs/dbraw/zinc/25/50/72/987255072.db2.gz	FJBVOOPRYJWCOK-KXUCPTDWSA-N	-1	0	292.295	0.897	20	30		CCEDRM
CC(C)(C#N)NC(=O)[C@H]1CC[C@@H](CCC(=O)[O-])O1	ZINC001589558015	987308753	/nfs/dbraw/zinc/30/87/53/987308753.db2.gz	KNHXHNWWVAFZFG-DTWKUNHWSA-N	-1	0	254.286	0.817	20	30		CCEDRM
CC(C)(C)[C@H](C#N)NC(=O)CN1CCC[C@@H](C(=O)[O-])C1=O	ZINC001589699660	987786724	/nfs/dbraw/zinc/78/67/24/987786724.db2.gz	OZOHZLXZBHPIRO-ZJUUUORDSA-N	-1	0	295.339	0.364	20	30		CCEDRM
CSC[C@@](C)(C#N)NC(=O)CCSCC(=O)[O-]	ZINC001599790246	987995071	/nfs/dbraw/zinc/99/50/71/987995071.db2.gz	WAEPYEQCRJYAPF-SNVBAGLBSA-N	-1	0	276.383	0.956	20	30		CCEDRM
CSC[C@](C)(C#N)NC(=O)[C@H]1C[C@@H](C)[C@H](C(=O)[O-])O1	ZINC001599790321	987995739	/nfs/dbraw/zinc/99/57/39/987995739.db2.gz	XJMAGXGPUKJLLJ-HNBLOZHYSA-N	-1	0	286.353	0.626	20	30		CCEDRM
CSc1cccnc1C(=O)N(CC#N)CC(=O)[O-]	ZINC001599826085	988600509	/nfs/dbraw/zinc/60/05/09/988600509.db2.gz	VKVUQTSRWHCDNO-UHFFFAOYSA-N	-1	0	265.294	0.854	20	30		CCEDRM
C[C@@H](O)[C@H](NC(=O)C(=O)/C=C\c1ccc(F)cc1)C(=O)[O-]	ZINC001599843475	988891714	/nfs/dbraw/zinc/89/17/14/988891714.db2.gz	HLOZDVVQGRISPY-VASSXYMOSA-N	-1	0	295.266	0.358	20	30		CCEDRM
C[C@@H](O)[C@H](NC(=O)CC1(C#N)CCCCC1)C(=O)[O-]	ZINC001599844944	988916152	/nfs/dbraw/zinc/91/61/52/988916152.db2.gz	ZGFGZITVTXLTSC-KOLCDFICSA-N	-1	0	268.313	0.801	20	30		CCEDRM
C[C@@H]1C[C@H](C(=O)NCC#C[C@H]2CCCCO2)O[C@H]1C(=O)[O-]	ZINC001599874569	989401998	/nfs/dbraw/zinc/40/19/98/989401998.db2.gz	GMDVFLGZKRILSP-FDYHWXHSSA-N	-1	0	295.335	0.553	20	30		CCEDRM
CCn1cc(/C=C2/CCn3nc(C(=O)[O-])cc3C2=O)nn1	ZINC001597879538	989699260	/nfs/dbraw/zinc/69/92/60/989699260.db2.gz	AWTMTZDXCRVYQN-YVMONPNESA-N	-1	0	287.279	0.863	20	30		CCEDRM
CCn1nccc1C(=O)N(CC#N)CCC(=O)[O-]	ZINC001597962688	989994029	/nfs/dbraw/zinc/99/40/29/989994029.db2.gz	MDVAPGQBUZBKKX-UHFFFAOYSA-N	-1	0	250.258	0.343	20	30		CCEDRM
CN(C)C(=O)CON=Cc1ccc(C(=O)[O-])cc1	ZINC001598131077	990572197	/nfs/dbraw/zinc/57/21/97/990572197.db2.gz	UKEVWGNOUFKFDB-UHFFFAOYSA-N	-1	0	250.254	0.824	20	30		CCEDRM
CC(C)(CO)C(=O)N1CCC(C#N)(C(=O)[O-])CC1	ZINC001590780135	990592682	/nfs/dbraw/zinc/59/26/82/990592682.db2.gz	ODMFTIYIIOYHLS-UHFFFAOYSA-N	-1	0	254.286	0.222	20	30		CCEDRM
CC(C)C(=O)N1CCC[C@@H]1C(=O)N(CC#N)CCC(=O)[O-]	ZINC001590933443	990949071	/nfs/dbraw/zinc/94/90/71/990949071.db2.gz	KUJOVSDDZDWKJF-LLVKDONJSA-N	-1	0	295.339	0.460	20	30		CCEDRM
CC(C)[C@@](C)(C#N)NC(=O)Cn1nc(C(=O)[O-])nc1Cl	ZINC001590961138	991055615	/nfs/dbraw/zinc/05/56/15/991055615.db2.gz	LWKVLSSGAZBLEQ-LLVKDONJSA-N	-1	0	299.718	0.684	20	30		CCEDRM
COc1nc(C(=O)N(CC#N)CCC(=O)[O-])co1	ZINC001599728882	991676685	/nfs/dbraw/zinc/67/66/85/991676685.db2.gz	SFVOTTSIPYTCLS-UHFFFAOYSA-N	-1	0	253.214	0.124	20	30		CCEDRM
CC(C)C[C@H](OC(=O)[C@H](C)n1cnc(C#N)n1)C(=O)[O-]	ZINC001591188357	991994613	/nfs/dbraw/zinc/99/46/13/991994613.db2.gz	SKYNRSFJKQOMTD-IUCAKERBSA-N	-1	0	280.284	0.753	20	30		CCEDRM
CN(CCN(C)C(=O)[C@H]1C[C@H]1C(=O)[O-])C(=O)C#CC1CC1	ZINC001598486594	992214956	/nfs/dbraw/zinc/21/49/56/992214956.db2.gz	RSGKRVOIGXPCJQ-NWDGAFQWSA-N	-1	0	292.335	0.037	20	30		CCEDRM
CC(C)CN(CC(=O)[O-])CC(=O)NC1(C#N)CCC1	ZINC001591304918	992259485	/nfs/dbraw/zinc/25/94/85/992259485.db2.gz	RTVQXRVFWMGGAO-UHFFFAOYSA-N	-1	0	267.329	0.591	20	30		CCEDRM
CN(CCNC(=O)[C@H]1C[C@@H]1C(=O)[O-])c1ccc(C#N)cn1	ZINC001598489974	992272806	/nfs/dbraw/zinc/27/28/06/992272806.db2.gz	CODRTWSKRKJWDL-QWRGUYRKSA-N	-1	0	288.307	0.226	20	30		CCEDRM
CN(Cc1ccc(C#N)cc1)CN1C[C@@H](C(=O)[O-])OC1=O	ZINC001598509208	992546920	/nfs/dbraw/zinc/54/69/20/992546920.db2.gz	IADSUBUVWJPIDQ-LBPRGKRZSA-N	-1	0	289.291	0.853	20	30		CCEDRM
C[C@@H](OC(=O)[C@H]1CC[C@H]1C(=O)[O-])C(=O)N(C)CCC#N	ZINC001593563342	995651450	/nfs/dbraw/zinc/65/14/50/995651450.db2.gz	KDIFOVNLAPNYCN-BBBLOLIVSA-N	-1	0	282.296	0.401	20	30		CCEDRM
COC(=O)[C@@H]1CCN(C(=O)C#CC2CC2)[C@H](C(=O)[O-])C1	ZINC001598790454	996067746	/nfs/dbraw/zinc/06/77/46/996067746.db2.gz	PYZIXLKUMTZUNV-MNOVXSKESA-N	-1	0	279.292	0.265	20	30		CCEDRM
C[C@]1(C#N)CN(Cc2cncc(C(=O)[O-])c2)CCO1	ZINC001593743689	996370227	/nfs/dbraw/zinc/37/02/27/996370227.db2.gz	YWHDDJHZOJSWEB-ZDUSSCGKSA-N	-1	0	261.281	0.894	20	30		CCEDRM
COC(=O)[C@@H]1CN(c2ncccc2C#N)C[C@H]1C(=O)[O-]	ZINC001598825789	996380827	/nfs/dbraw/zinc/38/08/27/996380827.db2.gz	FAGPNHBJMNXNAK-NXEZZACHSA-N	-1	0	275.264	0.263	20	30		CCEDRM
COCc1cc(C#N)ccc1N1CC(O)(C(=O)[O-])C1	ZINC001599279291	996866405	/nfs/dbraw/zinc/86/64/05/996866405.db2.gz	QEAYYYNPKNUPON-UHFFFAOYSA-N	-1	0	262.265	0.340	20	30		CCEDRM
COC(=O)[C@@H](CCC(=O)[O-])NC(=O)c1csc(C#N)c1	ZINC001598893238	997030927	/nfs/dbraw/zinc/03/09/27/997030927.db2.gz	KPQUJHVSOFYDSR-SECBINFHSA-N	-1	0	296.304	0.756	20	30		CCEDRM
COc1cc(CN2CCC[C@@H](O)[C@H]2C(=O)[O-])ccc1C#N	ZINC001599406830	997322412	/nfs/dbraw/zinc/32/24/12/997322412.db2.gz	DEZRNRNKQHNLEE-OCCSQVGLSA-N	-1	0	290.319	0.977	20	30		CCEDRM
COCC[C@H](NC(=O)Cc1ccccc1CC#N)C(=O)[O-]	ZINC001599213357	997540769	/nfs/dbraw/zinc/54/07/69/997540769.db2.gz	UQRDJQZNHXDNNG-ZDUSSCGKSA-N	-1	0	290.319	0.901	20	30		CCEDRM
COCC[C@H](NC(=O)c1cc(C#N)oc1C)C(=O)[O-]	ZINC001599215334	997571952	/nfs/dbraw/zinc/57/19/52/997571952.db2.gz	SQYHOCCMGKKJLT-JTQLQIEISA-N	-1	0	266.253	0.679	20	30		CCEDRM
COC(=O)c1cc(C(=O)[O-])n(CN2CC[C@](C)(C#N)C2)n1	ZINC001598921502	997572876	/nfs/dbraw/zinc/57/28/76/997572876.db2.gz	FIRRTMLQIBNFNV-CYBMUJFWSA-N	-1	0	292.295	0.561	20	30		CCEDRM
CO[C@@H]1COC[C@@H]1N[C@@H](C(=O)[O-])c1cccc(C#N)c1	ZINC001599322415	997605107	/nfs/dbraw/zinc/60/51/07/997605107.db2.gz	PQCUEEWFQVYQGJ-YNEHKIRRSA-N	-1	0	276.292	0.687	20	30		CCEDRM
COC(=O)c1cc(C(=O)[O-])nn1CN([C@@H](C)C#N)C1CC1	ZINC001598924372	997627723	/nfs/dbraw/zinc/62/77/23/997627723.db2.gz	BYJGOUIXTOATFU-QMMMGPOBSA-N	-1	0	292.295	0.702	20	30		CCEDRM
CO[C@@H]1CCN(C(=O)c2cc(C#N)[nH]c2C)[C@@H](C(=O)[O-])C1	ZINC001599121532	997747237	/nfs/dbraw/zinc/74/72/37/997747237.db2.gz	WKMBPMPJQAWLOY-ZYHUDNBSSA-N	-1	0	291.307	0.899	20	30		CCEDRM
COCCCOC1CN(c2ccc(C(=O)[O-])nc2C#N)C1	ZINC001599227329	997783893	/nfs/dbraw/zinc/78/38/93/997783893.db2.gz	VAJUYNFIKOMLHQ-UHFFFAOYSA-N	-1	0	291.307	0.893	20	30		CCEDRM
COc1cc(C#N)ccc1S(=O)(=O)NC(C)(C)C(=O)[O-]	ZINC001599350380	998082808	/nfs/dbraw/zinc/08/28/08/998082808.db2.gz	OGTOLLMTOUNSJF-UHFFFAOYSA-N	-1	0	298.320	0.708	20	30		CCEDRM
COC[C@@](C)(C#N)NC(=O)c1ccc(C(=O)[O-])n1C	ZINC001599143826	998177502	/nfs/dbraw/zinc/17/75/02/998177502.db2.gz	HJPIWQYXNMIEGC-GFCCVEGCSA-N	-1	0	265.269	0.382	20	30		CCEDRM
COC[C@@H](C#N)OC(=O)c1cc(C(=O)[O-])oc1C	ZINC001599143855	998178655	/nfs/dbraw/zinc/17/86/55/998178655.db2.gz	INAWDMHEWRNZOS-SSDOTTSWSA-N	-1	0	253.210	0.982	20	30		CCEDRM
COC[C@@](C)(CC(=O)[O-])NC(=O)Cc1ccc(C#N)nc1	ZINC001599147180	998232451	/nfs/dbraw/zinc/23/24/51/998232451.db2.gz	PBSFYTILMKEFSY-CQSZACIVSA-N	-1	0	291.307	0.492	20	30		CCEDRM
COCC(COC)N[C@@H](C(=O)[O-])c1cccc(C#N)c1	ZINC001599166562	998551355	/nfs/dbraw/zinc/55/13/55/998551355.db2.gz	OVZSZZYPKSQHTB-CYBMUJFWSA-N	-1	0	278.308	0.935	20	30		CCEDRM
C[C@H]1[C@H](C(=O)[O-])CCN1C(=O)c1ccc(C#N)nc1	ZINC001594158221	998583565	/nfs/dbraw/zinc/58/35/65/998583565.db2.gz	FIACCGXFKGDAOT-GZMMTYOYSA-N	-1	0	259.265	0.888	20	30		CCEDRM
C[C@H]1[C@H](C(=O)[O-])CCN1C(=O)c1ccc(C#N)n1C	ZINC001594158563	998586249	/nfs/dbraw/zinc/58/62/49/998586249.db2.gz	IXTHTFIPLHPOCC-WCBMZHEXSA-N	-1	0	261.281	0.832	20	30		CCEDRM
COC[C@H](NC(=O)C(=O)/C=C/c1ccc(F)cc1)C(=O)[O-]	ZINC001599169713	998594525	/nfs/dbraw/zinc/59/45/25/998594525.db2.gz	NHZZHTDNIUIXJF-ZPMKCOPCSA-N	-1	0	295.266	0.624	20	30		CCEDRM
COC(=O)c1ccc(N2C[C@H]3[C@H](C(=O)[O-])[C@H]3C2)c(C#N)n1	ZINC001598977796	998621202	/nfs/dbraw/zinc/62/12/02/998621202.db2.gz	VJWAWULIYWIUQY-JDICNCQASA-N	-1	0	287.275	0.507	20	30		CCEDRM
CC1CC(CS(=O)(=O)N(CC#N)CCC(=O)[O-])C1	ZINC001594242627	998921344	/nfs/dbraw/zinc/92/13/44/998921344.db2.gz	IVHRCRIZCYSRCU-UHFFFAOYSA-N	-1	0	274.342	0.663	20	30		CCEDRM
C[C@@H]1C[C@@H](NC(=O)N2CCC(C#N)(C(=O)[O-])CC2)CO1	ZINC001594253136	998974320	/nfs/dbraw/zinc/97/43/20/998974320.db2.gz	MOXRTMPGOXATBK-NXEZZACHSA-N	-1	0	281.312	0.564	20	30		CCEDRM
CO[C@H](C)c1noc(CN(CC#N)CC(=O)[O-])n1	ZINC001599041898	999123497	/nfs/dbraw/zinc/12/34/97/999123497.db2.gz	GKHAVILPKGFCPI-SSDOTTSWSA-N	-1	0	254.246	0.187	20	30		CCEDRM
C[C@H](C(=O)N1CC[C@@H](C)C[C@H]1C(=O)[O-])n1cnc(C#N)n1	ZINC001594396414	999493905	/nfs/dbraw/zinc/49/39/05/999493905.db2.gz	XYXUAMQHJZIXOI-BBBLOLIVSA-N	-1	0	291.311	0.422	20	30		CCEDRM
C=CCC[C@H](NS(=O)(=O)c1cccn1C)C(=O)[O-]	ZINC000573304943	334925686	/nfs/dbraw/zinc/92/56/86/334925686.db2.gz	FWYKHYWHHJJLMM-VIFPVBQESA-N	-1	0	272.326	0.723	20	30		CCEDRM
CS(=O)(=O)[N-]c1ccc(C(=O)N2CC(C#N)C2)cn1	ZINC000599969311	361844305	/nfs/dbraw/zinc/84/43/05/361844305.db2.gz	XCGGYOBQLPNNNB-UHFFFAOYSA-N	-1	0	280.309	0.049	20	30		CCEDRM
N#Cc1cn(C2CN(C(=O)[C@H]3CC34CC4)C2)c(=O)[n-]c1=O	ZINC000600833255	362077029	/nfs/dbraw/zinc/07/70/29/362077029.db2.gz	CPQHVTATUAKVPW-SNVBAGLBSA-N	-1	0	286.291	0.004	20	30		CCEDRM
C=C(C)C[C@H](NC(=O)Cn1cc([N+](=O)[O-])cn1)C(=O)[O-]	ZINC000600871457	362084331	/nfs/dbraw/zinc/08/43/31/362084331.db2.gz	FLCZZJJRPKUEIS-VIFPVBQESA-N	-1	0	282.256	0.327	20	30		CCEDRM
CCC[C@H](NC(=O)[O-])C(=O)N[C@@]1(C#N)CCSC1	ZINC000739312874	581103680	/nfs/dbraw/zinc/10/36/80/581103680.db2.gz	NRZAAWROPCWEQC-GZMMTYOYSA-N	-1	0	271.342	0.938	20	30		CCEDRM
CC[C@@H](NS(=O)(=O)c1cncc(C#N)c1)C(=O)[O-]	ZINC000290424386	197704460	/nfs/dbraw/zinc/70/44/60/197704460.db2.gz	AMDNVCQMNAXVDR-SECBINFHSA-N	-1	0	269.282	0.095	20	30		CCEDRM
Cc1ncc2n1C[C@@H](C(=O)N=c1[nH][n-]cc1C#N)CC2	ZINC000601638332	362336066	/nfs/dbraw/zinc/33/60/66/362336066.db2.gz	HAJAPWBWAKZPJL-VIFPVBQESA-N	-1	0	270.296	0.409	20	30		CCEDRM
CN(C(=O)CCn1cc(C#N)c(=O)[n-]c1=O)C1CCCC1	ZINC000602058062	362469452	/nfs/dbraw/zinc/46/94/52/362469452.db2.gz	NYJOGBYLORXHNW-UHFFFAOYSA-N	-1	0	290.323	0.612	20	30		CCEDRM
C=C(C)CN(CC)C(=O)CCn1cc(C#N)c(=O)[n-]c1=O	ZINC000602057138	362469952	/nfs/dbraw/zinc/46/99/52/362469952.db2.gz	AMVVNKNFEUKHAM-UHFFFAOYSA-N	-1	0	290.323	0.635	20	30		CCEDRM
C=CCCCN(C)C(=O)Cn1cc(C#N)c(=O)[n-]c1=O	ZINC000602102413	362489804	/nfs/dbraw/zinc/48/98/04/362489804.db2.gz	IBVVKMFVTKRZHK-UHFFFAOYSA-N	-1	0	276.296	0.245	20	30		CCEDRM
C=CCC[C@H](NC(=O)COC[C@@H]1CCCO1)C(=O)[O-]	ZINC000573671919	334956319	/nfs/dbraw/zinc/95/63/19/334956319.db2.gz	PTCWCFONHISRDC-QWRGUYRKSA-N	-1	0	271.313	0.718	20	30		CCEDRM
Cn1cc(CN=c2[n-]nc3ccccn32)cc1C#N	ZINC000358399167	232095966	/nfs/dbraw/zinc/09/59/66/232095966.db2.gz	ZQWPJMGOMDKEBW-UHFFFAOYSA-N	-1	0	252.281	0.973	20	30		CCEDRM
N#Cc1ccc2c(c1)CCN2C(=O)CCCc1nnn[n-]1	ZINC000602162516	362536300	/nfs/dbraw/zinc/53/63/00/362536300.db2.gz	RBGDYLDJCFNVSG-UHFFFAOYSA-N	-1	0	282.307	0.983	20	30		CCEDRM
CCN(C[C@H](C)C(=O)[O-])S(=O)(=O)c1cncc(C#N)c1	ZINC000290757570	197807625	/nfs/dbraw/zinc/80/76/25/197807625.db2.gz	YYCHFUWTGDLWGY-VIFPVBQESA-N	-1	0	297.336	0.685	20	30		CCEDRM
N#Cc1ccc(CNC(=O)c2c[n-]n3c2nccc3=O)cc1	ZINC000339288486	215070552	/nfs/dbraw/zinc/07/05/52/215070552.db2.gz	WNHAYMRHLOQZQH-UHFFFAOYSA-N	-1	0	293.286	0.824	20	30		CCEDRM
N#Cc1cc(C(=O)N2CCC[C@@H](c3n[nH]c(=O)[n-]3)C2)c[nH]1	ZINC000339294278	215074503	/nfs/dbraw/zinc/07/45/03/215074503.db2.gz	SAZJEWHPIMUERV-MRVPVSSYSA-N	-1	0	286.295	0.730	20	30		CCEDRM
COCc1nc(=NC(=O)c2cc(C#N)cn2C)s[n-]1	ZINC000344057101	137175519	/nfs/dbraw/zinc/17/55/19/137175519.db2.gz	HMWFTFXKWDOYOB-UHFFFAOYSA-N	-1	0	277.309	0.569	20	30		CCEDRM
CC(C)[C@@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)[O-]	ZINC000021793483	348079988	/nfs/dbraw/zinc/07/99/88/348079988.db2.gz	NVEDXASLJUTGFD-LLVKDONJSA-N	-1	0	282.321	0.946	20	30		CCEDRM
N#Cc1cccc(CCNC(=O)[C@@H]2CC[C@@H](C(=O)[O-])O2)c1	ZINC000344542696	137200327	/nfs/dbraw/zinc/20/03/27/137200327.db2.gz	CFTNAWIRAQVCOC-STQMWFEESA-N	-1	0	288.303	0.849	20	30		CCEDRM
O=C(Nc1nn[nH]n1)c1cc([N+](=O)[O-])ccc1[O-]	ZINC000027635328	348101009	/nfs/dbraw/zinc/10/10/09/348101009.db2.gz	QYAYAEMWJUHHBK-UHFFFAOYSA-N	-1	0	250.174	0.450	20	30		CCEDRM
N#Cc1nc(NC(=O)CCCNC(=O)C2CC2)[n-]c1C#N	ZINC000030861281	348121379	/nfs/dbraw/zinc/12/13/79/348121379.db2.gz	RUIAVVQKQQLLGK-UHFFFAOYSA-N	-1	0	286.295	0.398	20	30		CCEDRM
Cn1cc(C#N)c(=NC(=O)N2CC3(C2)CCCO3)[n-]1	ZINC000602885059	362864797	/nfs/dbraw/zinc/86/47/97/362864797.db2.gz	YKCAUGOXYPGKGA-UHFFFAOYSA-N	-1	0	261.285	0.110	20	30		CCEDRM
CCO[C@@]1(C)C[C@H]1NC(=O)N=c1[n-]n(C)cc1C#N	ZINC000602881180	362860331	/nfs/dbraw/zinc/86/03/31/362860331.db2.gz	JNNYAXSOPWCIBI-SKDRFNHKSA-N	-1	0	263.301	0.403	20	30		CCEDRM
Cn1cc(C#N)c(=NC(=O)N[C@H]2CO[C@@H](C3CC3)C2)[n-]1	ZINC000602881147	362860543	/nfs/dbraw/zinc/86/05/43/362860543.db2.gz	IUZZEIQPKIEXKH-GHMZBOCLSA-N	-1	0	275.312	0.403	20	30		CCEDRM
CCO[C@H]1CCN(C(=O)N=c2[n-]n(C)cc2C#N)C[C@@H]1C	ZINC000602879976	362860619	/nfs/dbraw/zinc/86/06/19/362860619.db2.gz	IGPRBUWGKVBYET-JQWIXIFHSA-N	-1	0	291.355	0.992	20	30		CCEDRM
N#Cc1ccc(NC(=O)N2CCOC[C@@H]2C(=O)[O-])cc1	ZINC000088376438	349365785	/nfs/dbraw/zinc/36/57/85/349365785.db2.gz	YQOGZMYOSUPYKG-LLVKDONJSA-N	-1	0	275.264	0.876	20	30		CCEDRM
C=CCN(C)S(=O)(=O)c1scnc1C(=O)[O-]	ZINC000129347051	350212012	/nfs/dbraw/zinc/21/20/12/350212012.db2.gz	QWJQSLYATNFGDV-UHFFFAOYSA-N	-1	0	262.312	0.648	20	30		CCEDRM
CCn1cc(S(=O)(=O)[N-]c2c(C#N)cnn2C)cn1	ZINC000274719540	353156166	/nfs/dbraw/zinc/15/61/66/353156166.db2.gz	SBDUWEYVCBWTLX-UHFFFAOYSA-N	-1	0	280.313	0.309	20	30		CCEDRM
C=CCCS(=O)(=O)N[C@H](CC(F)(F)F)C(=O)[O-]	ZINC000275198481	353194527	/nfs/dbraw/zinc/19/45/27/353194527.db2.gz	GIURXTXXQAPTLW-ZCFIWIBFSA-N	-1	0	275.248	0.888	20	30		CCEDRM
O=C(N=c1cn[n-]s1)N[C@H]1CCCn2ncnc21	ZINC000330269966	354314520	/nfs/dbraw/zinc/31/45/20/354314520.db2.gz	SQSMWKQLNBYABT-LURJTMIESA-N	-1	0	265.302	0.991	20	30		CCEDRM
N#Cc1ccc(S(=O)(=O)[N-]c2nnc[nH]2)cc1F	ZINC000427787581	235379802	/nfs/dbraw/zinc/37/98/02/235379802.db2.gz	HGKGBBFCSLNDAC-UHFFFAOYSA-N	-1	0	267.245	0.616	20	30		CCEDRM
N#CCNC(=O)CNC(=O)c1cc(F)c(F)c([O-])c1F	ZINC000344184332	355789227	/nfs/dbraw/zinc/78/92/27/355789227.db2.gz	YRJHHXQCUHBBMI-UHFFFAOYSA-N	-1	0	287.197	0.179	20	30		CCEDRM
N#Cc1cccc(C(=O)NCCc2n[n-]c(=N)o2)c1	ZINC000348284653	355904259	/nfs/dbraw/zinc/90/42/59/355904259.db2.gz	VXFWMGDXNPXHAL-UHFFFAOYSA-N	-1	0	257.253	0.326	20	30		CCEDRM
Cn1cc([N-]S(=O)(=O)c2ccccc2C#N)nn1	ZINC000359466682	356826749	/nfs/dbraw/zinc/82/67/49/356826749.db2.gz	KAIQKKZTYFCDNG-UHFFFAOYSA-N	-1	0	263.282	0.488	20	30		CCEDRM
CC(C)(NC(=O)c1cccc(C#N)c1)c1nnn[n-]1	ZINC000359794875	356896049	/nfs/dbraw/zinc/89/60/49/356896049.db2.gz	USGYZQYEGCNJAL-UHFFFAOYSA-N	-1	0	256.269	0.736	20	30		CCEDRM
Cc1cc(CNC(=O)N=c2[n-]n(C)cc2C#N)no1	ZINC000610528011	363572822	/nfs/dbraw/zinc/57/28/22/363572822.db2.gz	GNCUGQZYZZNNPO-UHFFFAOYSA-N	-1	0	260.257	0.332	20	30		CCEDRM
Cn1cc(C#N)c(=NC(=O)NCCc2cccc(O)c2)[n-]1	ZINC000610565200	363579347	/nfs/dbraw/zinc/57/93/47/363579347.db2.gz	XJIANDXAZDMTCD-UHFFFAOYSA-N	-1	0	285.307	0.783	20	30		CCEDRM
CC[C@@H](CCC(=O)[O-])NS(=O)(=O)N(C)C[C@@H](C)C#N	ZINC000563226608	358557075	/nfs/dbraw/zinc/55/70/75/358557075.db2.gz	PBWJCCYZQCMSJH-UWVGGRQHSA-N	-1	0	291.373	0.556	20	30		CCEDRM
C=C[C@@H]1OCC[C@H]1CNC(=O)NC[C@@H](C)C(=O)[O-]	ZINC000655880672	412675892	/nfs/dbraw/zinc/67/58/92/412675892.db2.gz	XCRCLEQDLRXCIR-UTLUCORTSA-N	-1	0	256.302	0.597	20	30		CCEDRM
C[C@H](C#N)CN(C)S(=O)(=O)NC(C)(C)CC(=O)[O-]	ZINC000571688098	358925107	/nfs/dbraw/zinc/92/51/07/358925107.db2.gz	HTNRUTSXTKFBBX-MRVPVSSYSA-N	-1	0	277.346	0.166	20	30		CCEDRM
CCN(C[C@H](C)C#N)S(=O)(=O)NCCCC(=O)[O-]	ZINC000573921165	359012117	/nfs/dbraw/zinc/01/21/17/359012117.db2.gz	LOTCUJSUOYMMAQ-SECBINFHSA-N	-1	0	277.346	0.167	20	30		CCEDRM
N#CCC1(CS(=O)(=O)NCCCCC(=O)[O-])CC1	ZINC000580332846	359081749	/nfs/dbraw/zinc/08/17/49/359081749.db2.gz	GBKLHPVPRQKZCH-UHFFFAOYSA-N	-1	0	274.342	0.855	20	30		CCEDRM
C[C@@H](CC#N)N(C)S(=O)(=O)N1CC([C@H](C)C(=O)[O-])C1	ZINC000580776942	359093203	/nfs/dbraw/zinc/09/32/03/359093203.db2.gz	DUBLIHZXZZWUQT-IUCAKERBSA-N	-1	0	289.357	0.118	20	30		CCEDRM
Cc1nnc([C@H](C)NC(=O)N=c2[n-]n(C)cc2C#N)[nH]1	ZINC000588259901	359319760	/nfs/dbraw/zinc/31/97/60/359319760.db2.gz	QJDYWNRFEOZUFG-LURJTMIESA-N	-1	0	274.288	0.023	20	30		CCEDRM
CCOc1cnc(C(=O)N=c2[nH][n-]c(C)c2C#N)cn1	ZINC000588719605	359334333	/nfs/dbraw/zinc/33/43/33/359334333.db2.gz	QWGXYAWEGKKWCN-UHFFFAOYSA-N	-1	0	272.268	0.453	20	30		CCEDRM
N#CC1CN(C(=O)N=c2ncn(Cc3ccccc3)[n-]2)C1	ZINC000590109187	359424480	/nfs/dbraw/zinc/42/44/80/359424480.db2.gz	XKPFPQIXZMBBIZ-UHFFFAOYSA-N	-1	0	282.307	0.736	20	30		CCEDRM
C=C[C@@H]1OCC[C@H]1C(=O)N=c1ccc(C(=O)OC)n[n-]1	ZINC000590992474	359546309	/nfs/dbraw/zinc/54/63/09/359546309.db2.gz	UOIGQOIAZAMWAW-SCZZXKLOSA-N	-1	0	277.280	0.215	20	30		CCEDRM
N#Cc1ccc(/C=C/C(=O)NCCc2n[n-]c(=N)o2)cc1	ZINC000492933806	237348719	/nfs/dbraw/zinc/34/87/19/237348719.db2.gz	UWBIELLPISAPPC-AATRIKPKSA-N	-1	0	283.291	0.726	20	30		CCEDRM
CN1C(=O)CC[C@@H]1C(=O)N=c1[nH][n-]c(C2CC2)c1C#N	ZINC000329328781	202285953	/nfs/dbraw/zinc/28/59/53/202285953.db2.gz	XXEPXSQCSUROPU-SECBINFHSA-N	-1	0	273.296	0.140	20	30		CCEDRM
COC(=O)c1cc(C#N)c(=O)n(CCCC(=O)[O-])c1	ZINC000563147197	291199190	/nfs/dbraw/zinc/19/91/90/291199190.db2.gz	CYWDRCYERRALES-UHFFFAOYSA-N	-1	0	264.237	0.371	20	30		CCEDRM
N#CCCCNC(=O)NCC1(C(=O)[O-])CCOCC1	ZINC000592212121	359800802	/nfs/dbraw/zinc/80/08/02/359800802.db2.gz	OMUAYTNNIJOGKO-UHFFFAOYSA-N	-1	0	269.301	0.471	20	30		CCEDRM
CC[C@H](NC(=O)C(=O)Nc1cc(C#N)ccc1C)C(=O)[O-]	ZINC000592425018	359836205	/nfs/dbraw/zinc/83/62/05/359836205.db2.gz	QUDTUAFUOIFTHM-JTQLQIEISA-N	-1	0	289.291	0.785	20	30		CCEDRM
N#Cc1ccc(C(=O)N[C@H](c2nnn[n-]2)c2ccccc2)[nH]1	ZINC000611201589	363680084	/nfs/dbraw/zinc/68/00/84/363680084.db2.gz	NGXWDTINJAFGCE-LBPRGKRZSA-N	-1	0	293.290	0.919	20	30		CCEDRM
N#Cc1cccc(NC(=O)c2n[nH]c(=O)[n-]c2=O)c1	ZINC000611218757	363685324	/nfs/dbraw/zinc/68/53/24/363685324.db2.gz	UQLOAIUHOHVCCT-UHFFFAOYSA-N	-1	0	257.209	0.407	20	30		CCEDRM
Cn1cc(C#N)c(=NC(=O)N2CCC[C@@](C)(O)C2)[n-]1	ZINC000611228307	363687996	/nfs/dbraw/zinc/68/79/96/363687996.db2.gz	KGCREIAORFYUAY-GFCCVEGCSA-N	-1	0	263.301	0.092	20	30		CCEDRM
Cc1c(C#N)c(=NC(=O)c2ccnn2CC(F)F)[n-]n1C	ZINC000592651664	359908896	/nfs/dbraw/zinc/90/88/96/359908896.db2.gz	TXAQHZVIQZAYNZ-UHFFFAOYSA-N	-1	0	294.265	0.736	20	30		CCEDRM
COc1cc(C)cnc1C(=O)N=c1[n-]n(C)c(C)c1C#N	ZINC000592649170	359909339	/nfs/dbraw/zinc/90/93/39/359909339.db2.gz	JUSMPGAVAJZLAG-UHFFFAOYSA-N	-1	0	285.307	0.986	20	30		CCEDRM
CN(C)c1cccc(CNC(=O)N=c2[n-]n(C)cc2C#N)n1	ZINC000611245793	363697028	/nfs/dbraw/zinc/69/70/28/363697028.db2.gz	IWZMMHUWTAQNSV-UHFFFAOYSA-N	-1	0	299.338	0.496	20	30		CCEDRM
N#Cc1ccc(C(=O)N2CCC[C@@H](c3n[nH]c(=O)[n-]3)C2)[nH]1	ZINC000592796429	359939048	/nfs/dbraw/zinc/93/90/48/359939048.db2.gz	DEZYUHMBIXGUNB-MRVPVSSYSA-N	-1	0	286.295	0.730	20	30		CCEDRM
CC[C@@H](C(=O)[O-])N(C)S(=O)(=O)CC1(C#N)CCC1	ZINC000593220386	360052761	/nfs/dbraw/zinc/05/27/61/360052761.db2.gz	MQUGBXKPPQYKKZ-VIFPVBQESA-N	-1	0	274.342	0.805	20	30		CCEDRM
C[C@H](C#N)CN(C)S(=O)(=O)NCCCCC(=O)[O-]	ZINC000593254868	360056676	/nfs/dbraw/zinc/05/66/76/360056676.db2.gz	SRVZYQLBYMUXPM-SECBINFHSA-N	-1	0	277.346	0.167	20	30		CCEDRM
CC#CC[C@@H](NS(=O)(=O)N(CC)CC)C(=O)[O-]	ZINC000275051980	192895139	/nfs/dbraw/zinc/89/51/39/192895139.db2.gz	SLDLWEQVQVHURD-SECBINFHSA-N	-1	0	262.331	0.029	20	30		CCEDRM
C[C@@H](Nc1ncnc2c1cnn2CCC#N)C(=O)[O-]	ZINC000595968222	360742735	/nfs/dbraw/zinc/74/27/35/360742735.db2.gz	IRCHGBKZCVGEHK-SSDOTTSWSA-N	-1	0	260.257	0.625	20	30		CCEDRM
Cc1nsc(N[C@@H]2C[C@@H](C(=O)[O-])C[C@@H]2O)c1C#N	ZINC000595978768	360754261	/nfs/dbraw/zinc/75/42/61/360754261.db2.gz	OIOWIDQZSQLUMP-VDAHYXPESA-N	-1	0	267.310	0.959	20	30		CCEDRM
CC(C)C[C@H](CNC(=O)Cn1cnc(C#N)n1)CC(=O)[O-]	ZINC000596000977	360773275	/nfs/dbraw/zinc/77/32/75/360773275.db2.gz	XPOAYQFEOBKCOP-JTQLQIEISA-N	-1	0	293.327	0.403	20	30		CCEDRM
CC(C)(C#N)CCS(=O)(=O)c1n[n-]c(=N)n1C1CC1	ZINC000596021117	360776954	/nfs/dbraw/zinc/77/69/54/360776954.db2.gz	NRRIYXQVWMNQEQ-UHFFFAOYSA-N	-1	0	283.357	0.739	20	30		CCEDRM
CC(C)[C@H](C#N)N1CCN(C(=O)c2cc(=O)n(C)[n-]2)CC1	ZINC000597049771	361000861	/nfs/dbraw/zinc/00/08/61/361000861.db2.gz	PWUNOFASUVIQTH-LBPRGKRZSA-N	-1	0	291.355	0.432	20	30		CCEDRM
Cc1cn2c(n1)CN(C(=O)N=c1[n-]n(C)cc1C#N)CC2	ZINC000611820837	363789391	/nfs/dbraw/zinc/78/93/91/363789391.db2.gz	QEJFTTQXDGZSTE-UHFFFAOYSA-N	-1	0	285.311	0.266	20	30		CCEDRM
Cc1[nH]c(C#N)cc1C(=O)N(C)Cc1n[n-]c(=O)o1	ZINC000598746762	361508205	/nfs/dbraw/zinc/50/82/05/361508205.db2.gz	UZBBBPHSABYPBU-UHFFFAOYSA-N	-1	0	261.241	0.556	20	30		CCEDRM
CC[C@@H](CC#N)[N-]S(=O)(=O)c1cc(C(=O)OC)no1	ZINC000599276970	361628852	/nfs/dbraw/zinc/62/88/52/361628852.db2.gz	CRXQCKBKOITWRP-ZETCQYMHSA-N	-1	0	287.297	0.432	20	30		CCEDRM
C=CC[C@@H](CC)NC(=O)C(=O)NC[C@@H](C(=O)[O-])C(C)C	ZINC000655986505	412724327	/nfs/dbraw/zinc/72/43/27/412724327.db2.gz	FQNFXKFZFNRREC-GHMZBOCLSA-N	-1	0	284.356	0.930	20	30		CCEDRM
CS(=O)(=O)[N-]c1ccc(C(=O)NC2(C#N)CC2)cn1	ZINC000599510237	361722952	/nfs/dbraw/zinc/72/29/52/361722952.db2.gz	UYARTTSGBIQESH-UHFFFAOYSA-N	-1	0	280.309	0.239	20	30		CCEDRM
C[C@H]1OCC[C@@]1(C)NC(=O)N=c1[n-]n(C)cc1C#N	ZINC000612313485	363882849	/nfs/dbraw/zinc/88/28/49/363882849.db2.gz	KFSAADBCZPMZKD-PRHODGIISA-N	-1	0	263.301	0.403	20	30		CCEDRM
CN=c1[n-]nc(CC(=O)N[C@]2(C#N)CCSC2)s1	ZINC000612737429	364002809	/nfs/dbraw/zinc/00/28/09/364002809.db2.gz	GMWWCTGAMQLJRL-JTQLQIEISA-N	-1	0	283.382	0.060	20	30		CCEDRM
Cc1ncc(S(=O)(=O)N[C@H]2C[C@H](C(=O)[O-])C2)cc1C#N	ZINC000564856263	291307848	/nfs/dbraw/zinc/30/78/48/291307848.db2.gz	MYPLJSZJFNSVNJ-CZMCAQCFSA-N	-1	0	295.320	0.403	20	30		CCEDRM
C[C@@H]1CN(C(=O)N=c2[n-]n(C)cc2C#N)[C@H](C)[C@H](C)O1	ZINC000615025475	364822475	/nfs/dbraw/zinc/82/24/75/364822475.db2.gz	RGUJDGYGFSODBV-BBBLOLIVSA-N	-1	0	277.328	0.743	20	30		CCEDRM
C=C(C)[C@H]1OCC[C@H]1CNC(=O)N1CC(C(=O)[O-])C1	ZINC000621834273	366882019	/nfs/dbraw/zinc/88/20/19/366882019.db2.gz	FJXRPMCPETXNGK-GXSJLCMTSA-N	-1	0	268.313	0.694	20	30		CCEDRM
C=C(C)[C@H]1OCC[C@@H]1CNC(=O)N1CC(C(=O)[O-])C1	ZINC000621834275	366882171	/nfs/dbraw/zinc/88/21/71/366882171.db2.gz	FJXRPMCPETXNGK-MWLCHTKSSA-N	-1	0	268.313	0.694	20	30		CCEDRM
C=C(C)CNC(=O)c1ccc([N-]S(C)(=O)=O)nc1	ZINC000626518734	368571039	/nfs/dbraw/zinc/57/10/39/368571039.db2.gz	CIQVJPIXBDVQEC-UHFFFAOYSA-N	-1	0	269.326	0.759	20	30		CCEDRM
CCO[N-]C(=O)C(=O)Nc1cc(C#N)ccc1OCC	ZINC000276188938	193237448	/nfs/dbraw/zinc/23/74/48/193237448.db2.gz	UBYSLFQORLGSND-UHFFFAOYSA-N	-1	0	277.280	0.963	20	30		CCEDRM
C=CCCCS(=O)(=O)N1C[C@H](OC)C[C@@]1(C)C(=O)[O-]	ZINC000629307364	369628504	/nfs/dbraw/zinc/62/85/04/369628504.db2.gz	CVYBEKHHUUFNII-PWSUYJOCSA-N	-1	0	291.369	0.846	20	30		CCEDRM
C=C(C)CS(=O)(=O)N[C@@H](C[C@H]1CCCOC1)C(=O)[O-]	ZINC000629338557	369635073	/nfs/dbraw/zinc/63/50/73/369635073.db2.gz	PHBDDSPNIPMZNL-MNOVXSKESA-N	-1	0	291.369	0.752	20	30		CCEDRM
C=CCOC[C@@H](NC(=O)c1c[nH]cc1C)C(=O)[O-]	ZINC000630185785	369996056	/nfs/dbraw/zinc/99/60/56/369996056.db2.gz	GMPHKKMZJILLQX-SNVBAGLBSA-N	-1	0	252.270	0.709	20	30		CCEDRM
C=CCOC[C@H](NC(=O)[C@]12CCC[C@H]1OCC2)C(=O)[O-]	ZINC000630186990	369996167	/nfs/dbraw/zinc/99/61/67/369996167.db2.gz	GBYORCJIFKQRLS-WDMOLILDSA-N	-1	0	283.324	0.718	20	30		CCEDRM
C=CCOC[C@H](NC(=O)c1cnnc(C)c1)C(=O)[O-]	ZINC000630187573	369997398	/nfs/dbraw/zinc/99/73/98/369997398.db2.gz	QYPWOCOHEYREMX-JTQLQIEISA-N	-1	0	265.269	0.171	20	30		CCEDRM
C=C(C)C[C@@H](NC(=O)[C@H]1CCCS1(=O)=O)C(=O)[O-]	ZINC000630321803	370047076	/nfs/dbraw/zinc/04/70/76/370047076.db2.gz	NFXRWZAUVUQTRE-RKDXNWHRSA-N	-1	0	275.326	0.099	20	30		CCEDRM
C=C(C)C[C@@H](NC(=O)CS(=O)(=O)C(C)C)C(=O)[O-]	ZINC000630324713	370048156	/nfs/dbraw/zinc/04/81/56/370048156.db2.gz	GIYMDQYJDRXCKE-SECBINFHSA-N	-1	0	277.342	0.345	20	30		CCEDRM
C=CCOC[C@@H](NC(=O)CCc1cnn(C)c1)C(=O)[O-]	ZINC000630185549	369995024	/nfs/dbraw/zinc/99/50/24/369995024.db2.gz	CXMKUVKWQFLVGP-LLVKDONJSA-N	-1	0	281.312	0.125	20	30		CCEDRM
C=C(C)C[C@H](NS(=O)(=O)[C@@H](C)CCOC)C(=O)[O-]	ZINC000630437258	370116029	/nfs/dbraw/zinc/11/60/29/370116029.db2.gz	ABMDLXXMGCOOAF-UWVGGRQHSA-N	-1	0	279.358	0.750	20	30		CCEDRM
C=CCC1(NS(=O)(=O)c2ncc[n-]2)CCOCC1	ZINC000632555670	371138420	/nfs/dbraw/zinc/13/84/20/371138420.db2.gz	OUZNZNYTAFAEKP-UHFFFAOYSA-N	-1	0	271.342	0.813	20	30		CCEDRM
CC#CC[C@@H](CO)NS(=O)(=O)c1cc([O-])cc(F)c1	ZINC000632506166	371110466	/nfs/dbraw/zinc/11/04/66/371110466.db2.gz	SKCTWSREKJTOCY-JTQLQIEISA-N	-1	0	287.312	0.584	20	30		CCEDRM
C=CCN(C(=O)CCc1nnn[n-]1)[C@H](C)COC	ZINC000633612418	371629642	/nfs/dbraw/zinc/62/96/42/371629642.db2.gz	MTGGCRWFAUOIQA-SECBINFHSA-N	-1	0	253.306	0.182	20	30		CCEDRM
C=C[C@@H]1OCC[C@H]1NC(=O)[C@@H]1CCC[C@@H]1C(=O)[O-]	ZINC000634840634	372267456	/nfs/dbraw/zinc/26/74/56/372267456.db2.gz	QNARPAWHFRWORD-YTWAJWBKSA-N	-1	0	253.298	0.947	20	30		CCEDRM
C=CCn1cc(CNC(=O)[C@@](C)(CC)CC(=O)[O-])nn1	ZINC000634843929	372268710	/nfs/dbraw/zinc/26/87/10/372268710.db2.gz	ZDORJSBZROYBKI-ZDUSSCGKSA-N	-1	0	280.328	0.971	20	30		CCEDRM
C=CC[C@@H]1CCN(C(=O)NCCOCC(=O)[O-])C1	ZINC000635523721	372587453	/nfs/dbraw/zinc/58/74/53/372587453.db2.gz	QWFKPGGIOAPEOT-SNVBAGLBSA-N	-1	0	256.302	0.695	20	30		CCEDRM
Cc1nc([N-]S(=O)(=O)CCOCC2CC2)ccc1C#N	ZINC000517125318	249204014	/nfs/dbraw/zinc/20/40/14/249204014.db2.gz	LUCGPOZYUMLBRV-UHFFFAOYSA-N	-1	0	295.364	0.852	20	30		CCEDRM
CC#CCCNC(=O)C(=O)NCc1cccc(C(=O)[O-])c1	ZINC000643179386	377724428	/nfs/dbraw/zinc/72/44/28/377724428.db2.gz	BIHBEMFVIHMERP-UHFFFAOYSA-N	-1	0	288.303	0.531	20	30		CCEDRM
CC#CC[C@H](NS(=O)(=O)c1ccc(C)nc1)C(=O)[O-]	ZINC000518777847	261862390	/nfs/dbraw/zinc/86/23/90/261862390.db2.gz	AGGAXQPGNHKBJL-NSHDSACASA-N	-1	0	282.321	0.535	20	30		CCEDRM
N#Cc1cccc(CS(=O)(=O)N2CC[C@H]2C(=O)[O-])c1	ZINC000279165258	194312660	/nfs/dbraw/zinc/31/26/60/194312660.db2.gz	BLLCANODPUNZGP-NSHDSACASA-N	-1	0	280.305	0.547	20	30		CCEDRM
C#CCO[N-]C(=O)CN(CCOC)C(=O)OC(C)(C)C	ZINC000497213008	262110393	/nfs/dbraw/zinc/11/03/93/262110393.db2.gz	WQKILCVTZCZKGD-UHFFFAOYSA-N	-1	0	286.328	0.551	20	30		CCEDRM
CCN(CCCNS(=O)(=O)CCCC#N)C(=O)[O-]	ZINC000739421390	581550641	/nfs/dbraw/zinc/55/06/41/581550641.db2.gz	MIAHTEGPXOXCAR-UHFFFAOYSA-N	-1	0	277.346	0.600	20	30		CCEDRM
C#C[C@@H](NC(=O)c1cnc([O-])n(C)c1=O)C(C)(C)C	ZINC000288016065	388857640	/nfs/dbraw/zinc/85/76/40/388857640.db2.gz	BNWOIAUSRXBHER-SECBINFHSA-N	-1	0	263.297	0.264	20	30		CCEDRM
C#CCO[N-]C(=O)CNC(=O)c1cc(C)cc(C)c1	ZINC000291361014	388921086	/nfs/dbraw/zinc/92/10/86/388921086.db2.gz	YGDXKOBKMHOXES-UHFFFAOYSA-N	-1	0	260.293	0.714	20	30		CCEDRM
C#CCO[N-]C(=O)CS(=O)(=O)CCCc1ccccc1	ZINC000291353333	388921196	/nfs/dbraw/zinc/92/11/96/388921196.db2.gz	XMCAIWHSKQCSAN-UHFFFAOYSA-N	-1	0	295.360	0.715	20	30		CCEDRM
C#CCO[N-]C(=O)[C@H](C)NC(=O)c1cccc(C)c1	ZINC000291376872	388922224	/nfs/dbraw/zinc/92/22/24/388922224.db2.gz	ZVWPWUYFJIPSKZ-NSHDSACASA-N	-1	0	260.293	0.794	20	30		CCEDRM
C=CCCCS(=O)(=O)[N-]c1nn(C)cc1C#N	ZINC000291906602	388943259	/nfs/dbraw/zinc/94/32/59/388943259.db2.gz	RMRSMNIKFGETNQ-UHFFFAOYSA-N	-1	0	254.315	1.000	20	30		CCEDRM
CC(C)(C#N)C(=O)N1CCC[C@@H](c2n[nH]c(=O)[n-]2)C1	ZINC000339289695	389129623	/nfs/dbraw/zinc/12/96/23/389129623.db2.gz	GWARGVULSLQBCY-MRVPVSSYSA-N	-1	0	263.301	0.766	20	30		CCEDRM
C=CCCS(=O)(=O)Nc1ccc(S(N)(=O)=O)cc1	ZINC000122981958	389154592	/nfs/dbraw/zinc/15/45/92/389154592.db2.gz	PHIMRIGPMNFHFC-UHFFFAOYSA-N	-1	0	290.366	0.652	20	30		CCEDRM
C=CCCCC(=O)Nc1n[n-]c(S(C)(=O)=O)n1	ZINC000359079372	389166862	/nfs/dbraw/zinc/16/68/62/389166862.db2.gz	GARYYMUWEYRWLM-UHFFFAOYSA-N	-1	0	258.303	0.503	20	30		CCEDRM
Cn1cc(N=C([O-])C[C@H]2CCCC(=O)N2)c(=O)n(C)c1=O	ZINC000329612033	389176296	/nfs/dbraw/zinc/17/62/96/389176296.db2.gz	CJRJXPFGGKGVJI-MRVPVSSYSA-N	-1	0	294.311	0.571	20	30		CCEDRM
CC(C)Oc1ccc(=NC(=O)N[C@@H](C)CO)[n-]n1	ZINC000330587570	389244407	/nfs/dbraw/zinc/24/44/07/389244407.db2.gz	XEHKUUATCBPRRA-QMMMGPOBSA-N	-1	0	254.290	0.392	20	30		CCEDRM
O=C(NC1CC1)N[C@@H]1CCN(C(=O)c2csc(=O)[nH]2)C1	ZINC000329963156	389214678	/nfs/dbraw/zinc/21/46/78/389214678.db2.gz	TVKZPYVRHBLXFT-MRVPVSSYSA-N	-1	0	296.352	0.729	20	30		CCEDRM
C=CCS(=O)(=O)[N-]C(=O)[C@@H]1CC1(Cl)Cl	ZINC000132766313	389227308	/nfs/dbraw/zinc/22/73/08/389227308.db2.gz	HAJNWCBEDYJYAX-YFKPBYRVSA-N	-1	0	258.126	0.812	20	30		CCEDRM
C[C@@H](C(=O)[O-])[C@H](C)NS(=O)(=O)c1ccc(C#N)cc1	ZINC000133233259	389232607	/nfs/dbraw/zinc/23/26/07/389232607.db2.gz	MUVGFWBGFKKJQN-BDAKNGLRSA-N	-1	0	282.321	0.946	20	30		CCEDRM
N#CCN1CCN(C(=O)c2cc([O-])cc([N+](=O)[O-])c2)CC1	ZINC000331053119	389297939	/nfs/dbraw/zinc/29/79/39/389297939.db2.gz	JIRUMHBQALAPAO-UHFFFAOYSA-N	-1	0	290.279	0.582	20	30		CCEDRM
C[C@H]1C[C@H](C(=O)[N-]S(=O)(=O)c2cncc(C#N)c2)CO1	ZINC000408489606	389368017	/nfs/dbraw/zinc/36/80/17/389368017.db2.gz	UPHCBLOQRKRGQR-WPRPVWTQSA-N	-1	0	295.320	0.183	20	30		CCEDRM
N#Cc1ccc(S(=O)(=O)N[C@H]2C=C[C@H](C(=O)[O-])C2)cn1	ZINC000159668256	389370217	/nfs/dbraw/zinc/37/02/17/389370217.db2.gz	LMYVZWQKAVQEJD-IUCAKERBSA-N	-1	0	293.304	0.261	20	30		CCEDRM
CC(C)[C@H](CC(=O)[O-])NS(=O)(=O)c1ccc(C#N)nc1	ZINC000159659799	389370354	/nfs/dbraw/zinc/37/03/54/389370354.db2.gz	QJBXNDBUDOHESZ-NSHDSACASA-N	-1	0	297.336	0.731	20	30		CCEDRM
C=CCS(=O)(=O)[N-]C(=O)[C@H]1CCC(=O)[C@@H](C)C1	ZINC000408444455	389351481	/nfs/dbraw/zinc/35/14/81/389351481.db2.gz	UBAUJNLVRMYZSY-IUCAKERBSA-N	-1	0	259.327	0.624	20	30		CCEDRM
Cn1cc([N-]S(=O)(=O)c2ccc(C#N)nc2)cn1	ZINC000164980789	389438144	/nfs/dbraw/zinc/43/81/44/389438144.db2.gz	VQFLWQGEQTXYBD-UHFFFAOYSA-N	-1	0	263.282	0.488	20	30		CCEDRM
C=CCCS(=O)(=O)NCC1(C(=O)[O-])CCOCC1	ZINC000274919287	389507177	/nfs/dbraw/zinc/50/71/77/389507177.db2.gz	AULYURAZNXXEKA-UHFFFAOYSA-N	-1	0	277.342	0.363	20	30		CCEDRM
CC#CCCNC(=O)N=c1nc2nc(C)cc(C)n2[n-]1	ZINC000351624649	389638491	/nfs/dbraw/zinc/63/84/91/389638491.db2.gz	ZAIHDGFVZKTDFP-UHFFFAOYSA-N	-1	0	272.312	0.698	20	30		CCEDRM
N#Cc1ncn(CC(=O)N[C@@H](C(=O)[O-])c2ccccc2)n1	ZINC000178291271	389601745	/nfs/dbraw/zinc/60/17/45/389601745.db2.gz	UBZUDRRGGZQVFV-GFCCVEGCSA-N	-1	0	285.263	0.092	20	30		CCEDRM
CC(C)(C#N)CCCS(=O)(=O)c1n[nH]c(=O)[n-]1	ZINC000429904700	389774825	/nfs/dbraw/zinc/77/48/25/389774825.db2.gz	SYRCFZJYFRREMQ-UHFFFAOYSA-N	-1	0	258.303	0.614	20	30		CCEDRM
N#CCCCS(=O)(=O)N1C[C@@H]2CCC[C@H]2[C@@H]1C(=O)[O-]	ZINC000376273042	389732553	/nfs/dbraw/zinc/73/25/53/389732553.db2.gz	ARMZOSSAXTVPSL-HBNTYKKESA-N	-1	0	286.353	0.805	20	30		CCEDRM
C[C@H](C(=O)N=c1[n-]n(C)cc1C#N)C1CCOCC1	ZINC000408000634	389818426	/nfs/dbraw/zinc/81/84/26/389818426.db2.gz	FLTBOKIJMDIQJO-VIFPVBQESA-N	-1	0	262.313	0.715	20	30		CCEDRM
C=CCN=c1[n-]nc(SCC(=O)N2CCC2)s1	ZINC000352941781	389842932	/nfs/dbraw/zinc/84/29/32/389842932.db2.gz	QKIQMIRYMQRZSD-UHFFFAOYSA-N	-1	0	270.383	0.882	20	30		CCEDRM
CC(=O)N1CCC[C@H](C(=O)N=c2[nH][n-]c(C)c2C#N)C1	ZINC000431675742	389864175	/nfs/dbraw/zinc/86/41/75/389864175.db2.gz	ZKMONFNZDMXZRX-JTQLQIEISA-N	-1	0	275.312	0.209	20	30		CCEDRM
Cc1[n-][nH]c(=NC(=O)[C@H]2COc3ccccc3O2)c1C#N	ZINC000431679761	389864235	/nfs/dbraw/zinc/86/42/35/389864235.db2.gz	RTJGMEGYYPZBBI-GFCCVEGCSA-N	-1	0	284.275	0.790	20	30		CCEDRM
CC(C)c1ccc(C(=O)NCC(=O)NCC#N)c(O)c1	ZINC000436711575	389983783	/nfs/dbraw/zinc/98/37/83/389983783.db2.gz	AFJVDOOYMIXCSV-UHFFFAOYSA-N	-1	0	275.308	0.885	20	30		CCEDRM
N#Cc1ccc(C(=O)NCCCc2n[nH]c(=O)[n-]2)s1	ZINC000488972485	390097247	/nfs/dbraw/zinc/09/72/47/390097247.db2.gz	HNZKTBLGCCEMFD-UHFFFAOYSA-N	-1	0	277.309	0.806	20	30		CCEDRM
C#CCNC(=O)C1CCN(C(=O)NCCCC(=O)[O-])CC1	ZINC000491497392	390114143	/nfs/dbraw/zinc/11/41/43/390114143.db2.gz	XULRSJDKTSQEEJ-UHFFFAOYSA-N	-1	0	295.339	0.022	20	30		CCEDRM
C#C[C@H]1COCCN1C(=O)c1ccc([O-])c([N+](=O)[O-])c1	ZINC000491709389	390116310	/nfs/dbraw/zinc/11/63/10/390116310.db2.gz	WQRMHFJWOAICDB-JTQLQIEISA-N	-1	0	276.248	0.775	20	30		CCEDRM
C=C[C@@H]1OCC[C@H]1CNC(=O)N1CC[C@H](C(=O)[O-])C1	ZINC000579582125	390186542	/nfs/dbraw/zinc/18/65/42/390186542.db2.gz	MAXKIXITLYGZPC-DCAQKATOSA-N	-1	0	268.313	0.694	20	30		CCEDRM
C=CCn1cc(C(=O)N[C@H](C(=O)[O-])C(C)C)nn1	ZINC000647727100	390147619	/nfs/dbraw/zinc/14/76/19/390147619.db2.gz	IVVVWDZIYNZVER-VIFPVBQESA-N	-1	0	252.274	0.303	20	30		CCEDRM
C=CCS(=O)(=O)[N-]C(=O)CCCNC(=O)OCC	ZINC000494380427	390169425	/nfs/dbraw/zinc/16/94/25/390169425.db2.gz	HRPWKHWMXYLTEP-UHFFFAOYSA-N	-1	0	278.330	0.145	20	30		CCEDRM
C#CCO[N-]C(=O)[C@H]1CCO[C@H]1CNC(=O)OC(C)(C)C	ZINC000496081586	390295617	/nfs/dbraw/zinc/29/56/17/390295617.db2.gz	JPBUMYFJKFVDIK-QWRGUYRKSA-N	-1	0	298.339	0.597	20	30		CCEDRM
C=CCCOCC(=O)N1CCC[C@@H](c2n[nH]c(=O)[n-]2)C1	ZINC000648893719	390437460	/nfs/dbraw/zinc/43/74/60/390437460.db2.gz	VKORIQVQXGNLAL-SNVBAGLBSA-N	-1	0	280.328	0.809	20	30		CCEDRM
C=C[C@@H]1OCC[C@H]1C(=O)N[C@H](c1nnn[n-]1)c1ccccc1	ZINC000648894471	390437782	/nfs/dbraw/zinc/43/77/82/390437782.db2.gz	MKHVUUZNZSSAOC-AGIUHOORSA-N	-1	0	299.334	0.996	20	30		CCEDRM
C=C(C)[C@H]1OCC[C@@H]1CNC(=O)NC1(C(=O)[O-])CC1	ZINC000562975988	390492225	/nfs/dbraw/zinc/49/22/25/390492225.db2.gz	ZQIMVWNTUULLSJ-NXEZZACHSA-N	-1	0	268.313	0.884	20	30		CCEDRM
C=C(C)[C@H]1OCC[C@H]1C(=O)N=c1ccn(CC(=O)[O-])[nH]1	ZINC000565032579	390498941	/nfs/dbraw/zinc/49/89/41/390498941.db2.gz	HMBQNXIXSAACMP-BXKDBHETSA-N	-1	0	279.296	0.309	20	30		CCEDRM
N#CCC1(CS(=O)(=O)N[C@H](C(=O)[O-])C2CCC2)CC1	ZINC000515853745	390478173	/nfs/dbraw/zinc/47/81/73/390478173.db2.gz	JXKWGCPLMDVRJS-JTQLQIEISA-N	-1	0	286.353	0.853	20	30		CCEDRM
C=CCC[C@@H](NS(=O)(=O)CCCCOC)C(=O)[O-]	ZINC000565516217	390520637	/nfs/dbraw/zinc/52/06/37/390520637.db2.gz	OPBKBFKWSPNQKG-SNVBAGLBSA-N	-1	0	279.358	0.752	20	30		CCEDRM
C[C@H](CC#N)N(C)S(=O)(=O)N[C@@H](C)CCC(=O)[O-]	ZINC000519653893	390525135	/nfs/dbraw/zinc/52/51/35/390525135.db2.gz	OVMNAPQAGFBCRI-DTWKUNHWSA-N	-1	0	277.346	0.308	20	30		CCEDRM
C=CCn1cc(C(=O)N2CCC3(C[C@@H]3C(=O)[O-])CC2)nn1	ZINC000649240210	390533168	/nfs/dbraw/zinc/53/31/68/390533168.db2.gz	SUVYHNLEDSSLRV-SNVBAGLBSA-N	-1	0	290.323	0.791	20	30		CCEDRM
C=CCCn1cc(C(=O)NC[C@H](CC)C(=O)[O-])nn1	ZINC000649264993	390541104	/nfs/dbraw/zinc/54/11/04/390541104.db2.gz	NLXPQYDXWOVQJO-VIFPVBQESA-N	-1	0	266.301	0.695	20	30		CCEDRM
C=C(C)[C@H]1OCC[C@H]1CNC(=O)N[C@@H](C)C(=O)[O-]	ZINC000520352700	390568691	/nfs/dbraw/zinc/56/86/91/390568691.db2.gz	XMOICYNDNWZHIC-LPEHRKFASA-N	-1	0	256.302	0.740	20	30		CCEDRM
C=CCOCCNC(=O)N1CC[C@H](C)[C@@H](C(=O)[O-])C1	ZINC000646154742	390619813	/nfs/dbraw/zinc/61/98/13/390619813.db2.gz	CRLQTZARADEZIF-QWRGUYRKSA-N	-1	0	270.329	0.941	20	30		CCEDRM
CCN([C@@H](C)CC(=O)[O-])S(=O)(=O)N(C)[C@@H](C)CC#N	ZINC000566313712	390596498	/nfs/dbraw/zinc/59/64/98/390596498.db2.gz	MWCQRJDGOLHLQC-UWVGGRQHSA-N	-1	0	291.373	0.650	20	30		CCEDRM
CC[C@@H](CCC(=O)[O-])NS(=O)(=O)N(C)[C@H](C)CC#N	ZINC000566311914	390596765	/nfs/dbraw/zinc/59/67/65/390596765.db2.gz	LDYUBXUCYOJFAA-ZJUUUORDSA-N	-1	0	291.373	0.698	20	30		CCEDRM
CC(C)n1cc(C#N)c(=NC(=O)C(=O)N2CCC2(C)C)[n-]1	ZINC000525898131	390669426	/nfs/dbraw/zinc/66/94/26/390669426.db2.gz	NILYDOMNVCPALK-UHFFFAOYSA-N	-1	0	289.339	0.707	20	30		CCEDRM
C=C(C)CS(=O)(=O)N1C[C@@H](C)O[C@H](C(=O)[O-])C1	ZINC000530152874	390875522	/nfs/dbraw/zinc/87/55/22/390875522.db2.gz	ZDCINRCDGOBQQW-BDAKNGLRSA-N	-1	0	263.315	0.066	20	30		CCEDRM
C=C(C)COCCNC(=O)C(=O)N[C@@H]1CC[C@H](C(=O)[O-])C1	ZINC000647587510	390844285	/nfs/dbraw/zinc/84/42/85/390844285.db2.gz	MOFVUQPJWIANCW-WDEREUQCSA-N	-1	0	298.339	0.065	20	30		CCEDRM
C=CCN(C(=O)C(=O)N[C@H]1CC[C@@H](C(=O)[O-])C1)C1CC1	ZINC000647592329	390845197	/nfs/dbraw/zinc/84/51/97/390845197.db2.gz	AZBXERJTWNUVJY-ZJUUUORDSA-N	-1	0	280.324	0.533	20	30		CCEDRM
C=CCn1cc(C(=O)N2CCCC[C@H]2C(=O)[O-])nn1	ZINC000647598572	390848299	/nfs/dbraw/zinc/84/82/99/390848299.db2.gz	SBPINSVIKDTVMI-JTQLQIEISA-N	-1	0	264.285	0.543	20	30		CCEDRM
C[C@H](C#N)CN(C)S(=O)(=O)N[C@H](C(=O)[O-])C1CCC1	ZINC000578657492	390897323	/nfs/dbraw/zinc/89/73/23/390897323.db2.gz	NVPFTMDCAMDZNA-SCZZXKLOSA-N	-1	0	289.357	0.166	20	30		CCEDRM
Cc1cc(S(=O)(=O)NC2(C(=O)[O-])CC2)ccc1C#N	ZINC000235842464	130955435	/nfs/dbraw/zinc/95/54/35/130955435.db2.gz	YFGOLCKCTWTEMF-UHFFFAOYSA-N	-1	0	280.305	0.762	20	30		CCEDRM
Cc1[n-][nH]c(=NC(=O)c2cn3c(n2)CCCC3)c1C#N	ZINC000357164759	144066336	/nfs/dbraw/zinc/06/63/36/144066336.db2.gz	MZUWTPHCBOHZEL-UHFFFAOYSA-N	-1	0	270.296	0.797	20	30		CCEDRM
CCC(=O)N1CC[C@H](C(=O)N=c2[nH][n-]c(C)c2C#N)C1	ZINC000357263059	144076048	/nfs/dbraw/zinc/07/60/48/144076048.db2.gz	TUJDARXQKOUQNE-VIFPVBQESA-N	-1	0	275.312	0.209	20	30		CCEDRM
Cc1[n-][nH]c(=NC(=O)[C@H]2CC(=O)N(C(C)(C)C)C2)c1C#N	ZINC000357265398	144076185	/nfs/dbraw/zinc/07/61/85/144076185.db2.gz	WYLHSRPFGHMWLR-VIFPVBQESA-N	-1	0	289.339	0.597	20	30		CCEDRM
Cc1cn2ccnc(C(=O)N=c3[nH][n-]c(C)c3C#N)c2n1	ZINC000357266806	144076759	/nfs/dbraw/zinc/07/67/59/144076759.db2.gz	ZHCFVMNGNQZYAT-UHFFFAOYSA-N	-1	0	281.279	0.615	20	30		CCEDRM
CCn1nccc1[N-]S(=O)(=O)c1cncc(C#N)c1	ZINC000357395631	144087588	/nfs/dbraw/zinc/08/75/88/144087588.db2.gz	NEKKFGWJZBIODS-UHFFFAOYSA-N	-1	0	277.309	0.970	20	30		CCEDRM
CNC(=O)c1ccc(=NCc2ccc(C#N)c(OC)c2)[n-]n1	ZINC000357611039	144104501	/nfs/dbraw/zinc/10/45/01/144104501.db2.gz	UTXXCLNWQZMFRZ-UHFFFAOYSA-N	-1	0	297.318	0.750	20	30		CCEDRM
Cc1oc(C#N)cc1C(=O)NC(C)(C)c1nnn[n-]1	ZINC000435459441	397533276	/nfs/dbraw/zinc/53/32/76/397533276.db2.gz	NQCYUDQVSKRUHC-UHFFFAOYSA-N	-1	0	260.257	0.638	20	30		CCEDRM
N#Cc1cc(F)ccc1S(=O)(=O)N[C@@H](C(=O)[O-])C1CC1	ZINC000548222646	286017629	/nfs/dbraw/zinc/01/76/29/286017629.db2.gz	OKXAWRBFTSIEDC-LLVKDONJSA-N	-1	0	298.295	0.839	20	30		CCEDRM
C=CCOC[C@H](NC(=O)[C@@H]1C[C@H]1OC(C)(C)C)C(=O)[O-]	ZINC000659155422	413317961	/nfs/dbraw/zinc/31/79/61/413317961.db2.gz	DDVMWMGIEDVCSQ-OUAUKWLOSA-N	-1	0	285.340	0.962	20	30		CCEDRM
C=CCOC[C@H](NC(=O)c1c(Cl)cnn1C)C(=O)[O-]	ZINC000659155952	413318695	/nfs/dbraw/zinc/31/86/95/413318695.db2.gz	HBZXDOVNNUGYSD-QMMMGPOBSA-N	-1	0	287.703	0.459	20	30		CCEDRM
C=CCn1cc(C(=O)NC[C@H](CC2CC2)C(=O)[O-])nn1	ZINC000652098099	411986727	/nfs/dbraw/zinc/98/67/27/411986727.db2.gz	GYRSKAJCZVZXMV-JTQLQIEISA-N	-1	0	278.312	0.695	20	30		CCEDRM
C=CCNC(=O)CNC(=O)C(CC)(CC)C(=O)[O-]	ZINC000653286252	412281810	/nfs/dbraw/zinc/28/18/10/412281810.db2.gz	OCWPNRLTIIANMZ-UHFFFAOYSA-N	-1	0	256.302	0.296	20	30		CCEDRM
C=CC[C@@H]1CCCN(C(=O)C(=O)NCCCC(=O)[O-])C1	ZINC000659655525	413757346	/nfs/dbraw/zinc/75/73/46/413757346.db2.gz	KTUQAJHXVQLDES-LLVKDONJSA-N	-1	0	282.340	0.782	20	30		CCEDRM
C=CCCNC(=O)C(=O)NC1CCC(C(=O)[O-])CC1	ZINC000659659079	413758491	/nfs/dbraw/zinc/75/84/91/413758491.db2.gz	PHHXZEVPBGBMPZ-UHFFFAOYSA-N	-1	0	268.313	0.438	20	30		CCEDRM
C=CCCNC(=O)C(=O)N1CCC[C@H](C(=O)[O-])C1	ZINC000659665521	413764176	/nfs/dbraw/zinc/76/41/76/413764176.db2.gz	WKOHGLFCLDMQSA-VIFPVBQESA-N	-1	0	254.286	0.002	20	30		CCEDRM
CCN(C[C@@H](C)C#N)S(=O)(=O)CCCC(=O)[O-]	ZINC000037838158	173795222	/nfs/dbraw/zinc/79/52/22/173795222.db2.gz	AVDFJQHGRHHSCQ-VIFPVBQESA-N	-1	0	262.331	0.663	20	30		CCEDRM
C=CCCS(=O)(=O)N1CC2(CCC2)[C@H]1C(=O)[O-]	ZINC000663287245	415039061	/nfs/dbraw/zinc/03/90/61/415039061.db2.gz	HKKNYWJDMQJVMT-SECBINFHSA-N	-1	0	259.327	0.831	20	30		CCEDRM
CC#CCCNC(=O)C(=O)NC[C@@H](C(=O)[O-])C1CCC1	ZINC000663634965	415101168	/nfs/dbraw/zinc/10/11/68/415101168.db2.gz	IKJUXTANGXAQAS-LLVKDONJSA-N	-1	0	280.324	0.133	20	30		CCEDRM
CC(C)(NS(=O)(=O)c1ccc(F)c(C#N)c1)C(=O)[O-]	ZINC000071238623	176093976	/nfs/dbraw/zinc/09/39/76/176093976.db2.gz	XXYITHRPUNMHJK-UHFFFAOYSA-N	-1	0	286.284	0.839	20	30		CCEDRM
O=C(NC[C@@H]1CCCO1)c1cccn2c([O-])nnc12	ZINC000329074675	227283187	/nfs/dbraw/zinc/28/31/87/227283187.db2.gz	AAQLXTFWFODXOE-QMMMGPOBSA-N	-1	0	262.269	0.919	20	30		CCEDRM
CC(C)OCC(=O)[N-]S(=O)(=O)CC1(C#N)CCC1	ZINC000771073515	581789035	/nfs/dbraw/zinc/78/90/35/581789035.db2.gz	BJGVKJDADAMXBZ-UHFFFAOYSA-N	-1	0	274.342	0.551	20	30		CCEDRM
Cc1n[n-]c(=NC(=O)N[C@@H]2CC[S@@](=O)C2)s1	ZINC000329988477	228007826	/nfs/dbraw/zinc/00/78/26/228007826.db2.gz	HFYKLQJFOAXNGW-ADNUTGFCSA-N	-1	0	260.344	0.115	20	30		CCEDRM
Cn1cc([C@@H]2CN(C(=O)N=c3cn[n-]s3)CCO2)cn1	ZINC000330242245	228077230	/nfs/dbraw/zinc/07/72/30/228077230.db2.gz	GBUJTVXGAWBUKK-VIFPVBQESA-N	-1	0	294.340	0.891	20	30		CCEDRM
C#Cc1cccc([N-]S(=O)(=O)CC(=O)OC)c1	ZINC000042534093	544428168	/nfs/dbraw/zinc/42/81/68/544428168.db2.gz	CBGFBEPLLRSKAP-UHFFFAOYSA-N	-1	0	253.279	0.583	20	30		CCEDRM
Cn1cc(C#N)c(=NC(=O)NCc2ccc(N)nc2)[n-]1	ZINC000619795458	544610016	/nfs/dbraw/zinc/61/00/16/544610016.db2.gz	MDKBNPQHXBISSR-UHFFFAOYSA-N	-1	0	271.284	0.013	20	30		CCEDRM
C=CC[C@@H](NS(=O)(=O)N(CCC)CCC)C(=O)[O-]	ZINC000161297364	544705402	/nfs/dbraw/zinc/70/54/02/544705402.db2.gz	LQAMVBMXENQZLR-SNVBAGLBSA-N	-1	0	278.374	0.972	20	30		CCEDRM
C#CCN(CC#N)C(=O)c1c[nH]c2nc(=O)[n-]c(=O)c-2c1	ZINC000490983917	261279748	/nfs/dbraw/zinc/27/97/48/261279748.db2.gz	BYOJPOQPBBQDAQ-UHFFFAOYSA-N	-1	0	283.247	0.035	20	30		CCEDRM
C=CCC1(S(=O)(=O)[N-]C(=O)CCNC(=O)OC)CC1	ZINC000497246943	262122688	/nfs/dbraw/zinc/12/26/88/262122688.db2.gz	RKFYPCNDRCRTFZ-UHFFFAOYSA-N	-1	0	290.341	0.287	20	30		CCEDRM
C=CCN(CC=C)C(=O)Cn1nc(SC)[n-]c1=O	ZINC000188170719	262243669	/nfs/dbraw/zinc/24/36/69/262243669.db2.gz	CGKORYRVZRSZJC-UHFFFAOYSA-N	-1	0	268.342	0.494	20	30		CCEDRM
COC(=O)c1ccc(S(=O)(=O)N[C@@H](C)C#N)o1	ZINC000160684924	262298280	/nfs/dbraw/zinc/29/82/80/262298280.db2.gz	FYYWEKGXCSLPQN-LURJTMIESA-N	-1	0	258.255	0.257	20	30		CCEDRM
CCN(CC#N)C(=O)C(C)(C)[N-]C(=O)C(F)(F)F	ZINC000277165257	263039927	/nfs/dbraw/zinc/03/99/27/263039927.db2.gz	MCDOBGGMFAOAMB-UHFFFAOYSA-N	-1	0	265.235	0.816	20	30		CCEDRM
N#C[C@H]1COCCN1C(=O)c1cccc([O-])c1[N+](=O)[O-]	ZINC000281069809	263066252	/nfs/dbraw/zinc/06/62/52/263066252.db2.gz	ZQNBPYHNHCUTBE-QMMMGPOBSA-N	-1	0	277.236	0.665	20	30		CCEDRM
N#CCCCC(=O)Nc1ccc(-n2nn[n-]c2=O)cc1	ZINC000293222119	263138846	/nfs/dbraw/zinc/13/88/46/263138846.db2.gz	JNHXKIOJUIOHRD-UHFFFAOYSA-N	-1	0	272.268	0.588	20	30		CCEDRM
CSc1nc(=NC(=O)NC[C@@H]2COCCO2)s[n-]1	ZINC000331075374	264115068	/nfs/dbraw/zinc/11/50/68/264115068.db2.gz	UXWCHWFLKCUGRX-ZCFIWIBFSA-N	-1	0	290.370	0.423	20	30		CCEDRM
C[C@H](O)CN(C(=O)N=c1cn[n-]s1)[C@@H](C)CO	ZINC000331141714	264136633	/nfs/dbraw/zinc/13/66/33/264136633.db2.gz	FSIRKEGZTICZQP-BQBZGAKWSA-N	-1	0	260.319	0.147	20	30		CCEDRM
CC(C)[N@H+](C)CC/N=C(/[O-])c1cnc([O-])n(C)c1=O	ZINC000331252678	264181839	/nfs/dbraw/zinc/18/18/39/264181839.db2.gz	USYJYIQLUTXNEZ-UHFFFAOYSA-N	-1	0	268.317	0.131	20	30		CCEDRM
C=CCOC[C@@H](NC(=O)c1ccc(C#N)c(C)n1)C(=O)[O-]	ZINC000263149789	264247975	/nfs/dbraw/zinc/24/79/75/264247975.db2.gz	XGCVYCPLYHPQCK-GFCCVEGCSA-N	-1	0	289.291	0.647	20	30		CCEDRM
C=CCCCS(=O)(=O)NCC1(C(=O)[O-])CCOCC1	ZINC000291929244	264847826	/nfs/dbraw/zinc/84/78/26/264847826.db2.gz	WGIHEUVWJAQGIP-UHFFFAOYSA-N	-1	0	291.369	0.753	20	30		CCEDRM
CC[C@@H](C)CC(=O)N1CC(n2cc(C#N)c(=O)[n-]c2=O)C1	ZINC000530271065	267182664	/nfs/dbraw/zinc/18/26/64/267182664.db2.gz	BWLVGAPEWKLHQG-SECBINFHSA-N	-1	0	290.323	0.640	20	30		CCEDRM
CC#CC[C@@H](NS(=O)(=O)C[C@@H]1CCCCO1)C(=O)[O-]	ZINC000274933563	277928240	/nfs/dbraw/zinc/92/82/40/277928240.db2.gz	CVTLTWRUJHKKOF-WDEREUQCSA-N	-1	0	289.353	0.342	20	30		CCEDRM
CN1CCO[C@@H](C([O-])=Nc2cccn(C)c2=O)C1	ZINC000329876070	290076221	/nfs/dbraw/zinc/07/62/21/290076221.db2.gz	HKOHWVVQSXIGGH-SNVBAGLBSA-N	-1	0	251.286	0.304	20	30		CCEDRM
O=C(N=c1cn[n-]s1)N[C@@H]1CCCn2ncnc21	ZINC000330269967	303510807	/nfs/dbraw/zinc/51/08/07/303510807.db2.gz	SQSMWKQLNBYABT-ZCFIWIBFSA-N	-1	0	265.302	0.991	20	30		CCEDRM
C=CCN(CC(=O)[O-])S(=O)(=O)N(CCC)CCC	ZINC000092464022	328497541	/nfs/dbraw/zinc/49/75/41/328497541.db2.gz	WJBMVMRLGJJCQP-UHFFFAOYSA-N	-1	0	278.374	0.926	20	30		CCEDRM
C#CCO[N-]C(=O)CN1C(=O)CCc2ccccc21	ZINC000291013988	328532791	/nfs/dbraw/zinc/53/27/91/328532791.db2.gz	BMKFMYVNSBWYBW-UHFFFAOYSA-N	-1	0	258.277	0.647	20	30		CCEDRM
C=CCCCS(=O)(=O)N[C@@H](C(=O)[O-])[C@H]1CCOC1	ZINC000574822427	327383321	/nfs/dbraw/zinc/38/33/21/327383321.db2.gz	VNSYVWFQGAGROP-VHSXEESVSA-N	-1	0	277.342	0.362	20	30		CCEDRM
C=CCCCS(=O)(=O)N[C@H](COCC=C)C(=O)[O-]	ZINC000566853667	327479697	/nfs/dbraw/zinc/47/96/97/327479697.db2.gz	OVOPZTSFFMRZGY-SNVBAGLBSA-N	-1	0	277.342	0.528	20	30		CCEDRM
C=CC[C@@H](CC)N=c1ccc(C(=O)NCCO)n[n-]1	ZINC000357705260	328874974	/nfs/dbraw/zinc/87/49/74/328874974.db2.gz	NNYNLCNFUSJIIX-SNVBAGLBSA-N	-1	0	264.329	0.387	20	30		CCEDRM
N#Cc1ccc(S(=O)(=O)N[C@@H](C(=O)[O-])C2CCC2)cn1	ZINC000399223247	329449370	/nfs/dbraw/zinc/44/93/70/329449370.db2.gz	WAEQSVPPQAHANM-LLVKDONJSA-N	-1	0	295.320	0.485	20	30		CCEDRM
COCC[C@@H](NC(=O)c1ccc(CC#N)cc1)C(=O)[O-]	ZINC000262350679	330007487	/nfs/dbraw/zinc/00/74/87/330007487.db2.gz	YTQXNRZJRSMBQA-GFCCVEGCSA-N	-1	0	276.292	0.972	20	30		CCEDRM
CN(CCC(=O)[O-])S(=O)(=O)CC(C)(C)CC#N	ZINC000263555844	330059435	/nfs/dbraw/zinc/05/94/35/330059435.db2.gz	OEWMGXGKEYUCKO-UHFFFAOYSA-N	-1	0	262.331	0.663	20	30		CCEDRM
C=CCOC[C@H](NC(=O)C[C@@H]1CCCCO1)C(=O)[O-]	ZINC000262878814	330036077	/nfs/dbraw/zinc/03/60/77/330036077.db2.gz	BYLQOUXIGNBMTR-QWRGUYRKSA-N	-1	0	271.313	0.718	20	30		CCEDRM
C=CCOC[C@@H](NC(=O)C[C@H]1CCCO1)C(=O)[O-]	ZINC000263064376	330041687	/nfs/dbraw/zinc/04/16/87/330041687.db2.gz	QVRWDSRFCMAHEJ-NXEZZACHSA-N	-1	0	257.286	0.328	20	30		CCEDRM
C=CCOC[C@H](NC(=O)[C@@]1(C)CCCOC1)C(=O)[O-]	ZINC000263082319	330042592	/nfs/dbraw/zinc/04/25/92/330042592.db2.gz	SBQIXEZQWUIOKU-GWCFXTLKSA-N	-1	0	271.313	0.575	20	30		CCEDRM
C=CCCO[C@@H](C)C(=O)N1CCOC[C@H]1CC(=O)[O-]	ZINC000263272940	330051422	/nfs/dbraw/zinc/05/14/22/330051422.db2.gz	ILRFVUAPRBKLLW-WDEREUQCSA-N	-1	0	271.313	0.670	20	30		CCEDRM
C[C@@H](C#N)CN(C)S(=O)(=O)N1CC[C@@](C)(C(=O)[O-])C1	ZINC000263463466	330057044	/nfs/dbraw/zinc/05/70/44/330057044.db2.gz	FKCACYGFARMSFF-GXSJLCMTSA-N	-1	0	289.357	0.119	20	30		CCEDRM
CCC[C@H](NS(=O)(=O)CC1(CC#N)CC1)C(=O)[O-]	ZINC000263489569	330057695	/nfs/dbraw/zinc/05/76/95/330057695.db2.gz	ODGKZHXUTMWRDZ-VIFPVBQESA-N	-1	0	274.342	0.853	20	30		CCEDRM
CCN(CCC#N)S(=O)(=O)N[C@H](CC(C)C)C(=O)[O-]	ZINC000263548497	330059412	/nfs/dbraw/zinc/05/94/12/330059412.db2.gz	IWZGEOZCHONZTP-SNVBAGLBSA-N	-1	0	291.373	0.556	20	30		CCEDRM
C=CC1CCN(C(=O)C(=O)N(C)CCC(=O)[O-])CC1	ZINC000422816735	330156329	/nfs/dbraw/zinc/15/63/29/330156329.db2.gz	BDNIAKJLPWYOBW-UHFFFAOYSA-N	-1	0	268.313	0.344	20	30		CCEDRM
CC#CCN(C)C(=O)C(=O)N1C[C@H](C)C[C@@H](C(=O)[O-])C1	ZINC000422947169	330161989	/nfs/dbraw/zinc/16/19/89/330161989.db2.gz	PYGAHAFPDBFEPY-GHMZBOCLSA-N	-1	0	280.324	0.037	20	30		CCEDRM
C=C(C)C[C@H](C)C(=O)N1CC2N=NC(=O)N2C[C@H]1C(=O)[O-]	ZINC000424224875	330330304	/nfs/dbraw/zinc/33/03/04/330330304.db2.gz	BOIAZBMSGLHVJC-IUCAKERBSA-N	-1	0	294.311	0.381	20	30		CCEDRM
C=CCCn1cc(C(=O)NCCCCC(=O)[O-])nn1	ZINC000424226584	330330381	/nfs/dbraw/zinc/33/03/81/330330381.db2.gz	PAKRUCXKLBTLLD-UHFFFAOYSA-N	-1	0	266.301	0.839	20	30		CCEDRM
CC#CCN(C)C(=O)N=c1nc2nc(C)cc(C)n2[n-]1	ZINC000454254710	331142946	/nfs/dbraw/zinc/14/29/46/331142946.db2.gz	AZVISSNETSZHOF-UHFFFAOYSA-N	-1	0	272.312	0.650	20	30		CCEDRM
C#CCN(CC#N)S(=O)(=O)c1cc(F)cc(C(=O)[O-])c1	ZINC000490917214	332128854	/nfs/dbraw/zinc/12/88/54/332128854.db2.gz	WHKFNWBRDHVOKW-UHFFFAOYSA-N	-1	0	296.279	0.671	20	30		CCEDRM
C#C[C@@H](NC(=O)C(=O)N=c1ncn(C(C)(C)C)[n-]1)C(C)C	ZINC000491325647	332189688	/nfs/dbraw/zinc/18/96/88/332189688.db2.gz	FNESTUMKXCMCJF-SNVBAGLBSA-N	-1	0	291.355	0.168	20	30		CCEDRM
C#CCn1ccnc1C=NN=c1ccc(-n2cccn2)n[n-]1	ZINC000491636855	332257588	/nfs/dbraw/zinc/25/75/88/332257588.db2.gz	UCUAZGSDWMVKHL-UHFFFAOYSA-N	-1	0	292.306	0.360	20	30		CCEDRM
CC#CCS(=O)(=O)[N-]C(=O)/C=C/c1ncccc1C	ZINC000493744899	332452312	/nfs/dbraw/zinc/45/23/12/332452312.db2.gz	HPDNDQIEUNUQQZ-BQYQJAHWSA-N	-1	0	278.333	0.873	20	30		CCEDRM
CC(C)(C)OC(=O)NC1CC(=NNCC(=O)[O-])C1	ZINC000495652681	332525929	/nfs/dbraw/zinc/52/59/29/332525929.db2.gz	PSSYTGGRDAVOCM-UHFFFAOYSA-N	-1	0	257.290	0.704	20	30		CCEDRM
C#CCO[N-]C(=O)[C@@H]1CCO[C@@H]1CNC(=O)OC(C)(C)C	ZINC000496081584	332538095	/nfs/dbraw/zinc/53/80/95/332538095.db2.gz	JPBUMYFJKFVDIK-GHMZBOCLSA-N	-1	0	298.339	0.597	20	30		CCEDRM
CCC(C#N)(CC)C(=O)[N-]S(=O)(=O)c1cnn(C)c1	ZINC000528911989	333464213	/nfs/dbraw/zinc/46/42/13/333464213.db2.gz	GAEDVRTTWCVZJD-UHFFFAOYSA-N	-1	0	284.341	0.555	20	30		CCEDRM
C=CCC[C@H](NS(=O)(=O)[C@H]1CCO[C@@H](C)C1)C(=O)[O-]	ZINC000576105184	335154701	/nfs/dbraw/zinc/15/47/01/335154701.db2.gz	OITWUYHIWHUPON-DCAQKATOSA-N	-1	0	291.369	0.893	20	30		CCEDRM
C=CCOc1cccc(NC(=O)NCc2n[nH]c(=O)[n-]2)c1	ZINC000128912299	333726427	/nfs/dbraw/zinc/72/64/27/333726427.db2.gz	AOUSSKIDFXVXSL-UHFFFAOYSA-N	-1	0	289.295	0.985	20	30		CCEDRM
CC[C@@]1(C(=O)[O-])CCN(S(=O)(=O)CC2(C#N)CC2)C1	ZINC000547923737	334129294	/nfs/dbraw/zinc/12/92/94/334129294.db2.gz	FSPNZLBJNGFDLW-GFCCVEGCSA-N	-1	0	286.353	0.807	20	30		CCEDRM
C[C@@H]1CCN(S(=O)(=O)CCCCC#N)[C@@H]1C(=O)[O-]	ZINC000548575999	334162818	/nfs/dbraw/zinc/16/28/18/334162818.db2.gz	GEIQYIJDDYCTGO-ZJUUUORDSA-N	-1	0	274.342	0.805	20	30		CCEDRM
CCC[C@@H](O)[C@H](NS(=O)(=O)CCCCC#N)C(=O)[O-]	ZINC000548592333	334163170	/nfs/dbraw/zinc/16/31/70/334163170.db2.gz	CKZQWMUMOLRNIN-ZJUUUORDSA-N	-1	0	292.357	0.214	20	30		CCEDRM
N#CC1(CS(=O)(=O)NCC2(CC(=O)[O-])CCC2)CC1	ZINC000548589891	334163198	/nfs/dbraw/zinc/16/31/98/334163198.db2.gz	AQOIBKSRPGTCQY-UHFFFAOYSA-N	-1	0	286.353	0.855	20	30		CCEDRM
C[C@@H](CCC(=O)[O-])NS(=O)(=O)CCCCC#N	ZINC000548594897	334163277	/nfs/dbraw/zinc/16/32/77/334163277.db2.gz	LMUGFYAHLQQBIE-VIFPVBQESA-N	-1	0	262.331	0.853	20	30		CCEDRM
C=CCN(CC(=O)[O-])S(=O)(=O)c1ccccc1C#N	ZINC000092464049	334419205	/nfs/dbraw/zinc/41/92/05/334419205.db2.gz	RGEKXDFZGMCZBL-UHFFFAOYSA-N	-1	0	280.305	0.820	20	30		CCEDRM
CC(C)N(CCC(=O)[O-])S(=O)(=O)N(C)[C@H](C)CC#N	ZINC000565053989	334536653	/nfs/dbraw/zinc/53/66/53/334536653.db2.gz	HXLPOKNRTGCFEI-SNVBAGLBSA-N	-1	0	291.373	0.650	20	30		CCEDRM
C[C@@H](CC#N)N(C)S(=O)(=O)N[C@@H](CC(F)F)C(=O)[O-]	ZINC000565425063	334562492	/nfs/dbraw/zinc/56/24/92/334562492.db2.gz	BDERSIAJRWNXER-BQBZGAKWSA-N	-1	0	299.299	0.163	20	30		CCEDRM
C=CCOC[C@@H](NC(=O)C[C@H](C)n1ccnc1)C(=O)[O-]	ZINC000566345922	334643677	/nfs/dbraw/zinc/64/36/77/334643677.db2.gz	ZIWUNTVCEGJJAI-WDEREUQCSA-N	-1	0	281.312	0.606	20	30		CCEDRM
C=C(C)CS(=O)(=O)N[C@]1(C(=O)[O-])CCSC1	ZINC000569220136	334862080	/nfs/dbraw/zinc/86/20/80/334862080.db2.gz	NNMXAPFGNVPZIV-SECBINFHSA-N	-1	0	265.356	0.442	20	30		CCEDRM
N#CCC1(CS(=O)(=O)N[C@H]2C=C[C@@H](C(=O)[O-])C2)CC1	ZINC000577066759	335294834	/nfs/dbraw/zinc/29/48/34/335294834.db2.gz	NAAXJIJRDVDSIY-ZJUUUORDSA-N	-1	0	284.337	0.629	20	30		CCEDRM
N#CCC1(CS(=O)(=O)N[C@@H]2C=C[C@@H](C(=O)[O-])C2)CC1	ZINC000577066756	335294836	/nfs/dbraw/zinc/29/48/36/335294836.db2.gz	NAAXJIJRDVDSIY-NXEZZACHSA-N	-1	0	284.337	0.629	20	30		CCEDRM
N#CCCCCS(=O)(=O)N[C@@H](CC1CC1)C(=O)[O-]	ZINC000577595394	335375293	/nfs/dbraw/zinc/37/52/93/335375293.db2.gz	VDSLJJJUVJWSNQ-JTQLQIEISA-N	-1	0	274.342	0.853	20	30		CCEDRM
C=C(C)[C@H]1OCC[C@H]1C(=O)N[C@H]1C[C@H](C(=O)[O-])C1	ZINC000581023015	335998291	/nfs/dbraw/zinc/99/82/91/335998291.db2.gz	BVGRCHJFZWJCGK-GWOFURMSSA-N	-1	0	253.298	0.947	20	30		CCEDRM
Cc1ncc(S(=O)(=O)N[C@H](C)[C@H](C)C(=O)[O-])cc1C#N	ZINC000383816618	336118262	/nfs/dbraw/zinc/11/82/62/336118262.db2.gz	CWFCSHGGKQEMNZ-JGVFFNPUSA-N	-1	0	297.336	0.649	20	30		CCEDRM
C=C[C@@H]1OCC[C@H]1Nc1ccc(C(=O)[O-])c(OC)n1	ZINC000581946247	336174532	/nfs/dbraw/zinc/17/45/32/336174532.db2.gz	FHRCVANNWHRUGB-ZJUUUORDSA-N	-1	0	264.281	0.966	20	30		CCEDRM
Cc1nc([N-]S(=O)(=O)c2ccc(C#N)nc2)nn1C	ZINC000427635483	534493528	/nfs/dbraw/zinc/49/35/28/534493528.db2.gz	DLIXFNDJQWYHNI-UHFFFAOYSA-N	-1	0	278.297	0.191	20	30		CCEDRM
COCCN(CC(=O)[O-])S(=O)(=O)c1ccccc1C#N	ZINC000049607022	523667589	/nfs/dbraw/zinc/66/75/89/523667589.db2.gz	TURAUTKIVDNQII-UHFFFAOYSA-N	-1	0	298.320	0.280	20	30		CCEDRM
C[C@@H](CC#N)NS(=O)(=O)c1ccc(O)c(C(=O)[O-])c1	ZINC000050391991	524340994	/nfs/dbraw/zinc/34/09/94/524340994.db2.gz	MXQPLAUZNRHNNC-ZETCQYMHSA-N	-1	0	284.293	0.671	20	30		CCEDRM
CC(C)[C@@H](C(=O)NCc1n[nH]c(=O)[n-]1)N1CCCC1=O	ZINC000330045844	528335380	/nfs/dbraw/zinc/33/53/80/528335380.db2.gz	GNICFTUXZCIQBE-JTQLQIEISA-N	-1	0	281.316	0.614	20	30		CCEDRM
CC[C@H](C)[C@H](NS(=O)(=O)c1ccc(C#N)o1)C(=O)[O-]	ZINC000262308520	535979995	/nfs/dbraw/zinc/97/99/95/535979995.db2.gz	NDCIRGQMAZUEAN-XVKPBYJWSA-N	-1	0	286.309	0.929	20	30		CCEDRM
CN(C)c1cc([N-]S(=O)(=O)c2ccc(C#N)o2)ncn1	ZINC000357364498	536144981	/nfs/dbraw/zinc/14/49/81/536144981.db2.gz	AYQRTLRZJUKPTI-UHFFFAOYSA-N	-1	0	293.308	0.808	20	30		CCEDRM
COC[C@@H](C)[C@@H](C)C(=O)N=c1[n-]n(C)cc1C#N	ZINC000361919769	536570653	/nfs/dbraw/zinc/57/06/53/536570653.db2.gz	NXGCATLNCFQKPQ-RKDXNWHRSA-N	-1	0	250.302	0.571	20	30		CCEDRM
COC[C@H](C)[C@H](C)C(=O)N=c1[n-]n(C)cc1C#N	ZINC000361919768	536842718	/nfs/dbraw/zinc/84/27/18/536842718.db2.gz	NXGCATLNCFQKPQ-IUCAKERBSA-N	-1	0	250.302	0.571	20	30		CCEDRM
C=CCN1CC[C@@H](N(C)C(=O)c2n[nH]c(C)c2[O-])C1=O	ZINC000684988311	545779288	/nfs/dbraw/zinc/77/92/88/545779288.db2.gz	VHDBRGCFGOOQQD-SECBINFHSA-N	-1	0	278.312	0.283	20	30		CCEDRM
C[C@@H](NC(=O)[O-])C(=O)NCc1ccc(C#N)cc1F	ZINC000738995882	581117489	/nfs/dbraw/zinc/11/74/89/581117489.db2.gz	QJTSSKOSNXCCTL-SSDOTTSWSA-N	-1	0	265.244	0.970	20	30		CCEDRM
C[C@H]1CN=C(NN=Cc2ccc([O-])c([N+](=O)[O-])c2)N1	ZINC000779793200	581205435	/nfs/dbraw/zinc/20/54/35/581205435.db2.gz	XSSOWLRDJPSISP-ZETCQYMHSA-N	-1	0	263.257	0.572	20	30		CCEDRM
CN(CC#N)C(=O)c1ccc2c(c1)[n-]c(=S)n(C)c2=O	ZINC000725712538	581106682	/nfs/dbraw/zinc/10/66/82/581106682.db2.gz	BGARSKJPVXTMCP-UHFFFAOYSA-N	-1	0	288.332	0.818	20	30		CCEDRM
O=C([O-])COc1cccc(C=NN2CCCNC2=O)c1	ZINC000777898322	581138448	/nfs/dbraw/zinc/13/84/48/581138448.db2.gz	RTOUMMOEBLMQOK-UHFFFAOYSA-N	-1	0	277.280	0.899	20	30		CCEDRM
CSc1[n-]c(=O)c(C(=O)N[C@H](CO)C2CC2)cc1C#N	ZINC000778510642	581158607	/nfs/dbraw/zinc/15/86/07/581158607.db2.gz	LHSUIHOPFDHKEQ-SNVBAGLBSA-N	-1	0	293.348	0.881	20	30		CCEDRM
N#CCN(CC(=O)[O-])C(=O)C(=O)Nc1ccccc1	ZINC000739075702	581170497	/nfs/dbraw/zinc/17/04/97/581170497.db2.gz	MHEBTHXYXYZIJM-UHFFFAOYSA-N	-1	0	261.237	0.062	20	30		CCEDRM
N#CCN(CC(=O)[O-])C(=O)COC1CCCCC1	ZINC000739079542	581172746	/nfs/dbraw/zinc/17/27/46/581172746.db2.gz	YXFRGORGAFGNTF-UHFFFAOYSA-N	-1	0	254.286	0.772	20	30		CCEDRM
C[C@H]1CN(C(=O)[O-])CCN1S(=O)(=O)CCCC#N	ZINC000739153806	581184904	/nfs/dbraw/zinc/18/49/04/581184904.db2.gz	JTKHFEFMQAUMPP-VIFPVBQESA-N	-1	0	275.330	0.304	20	30		CCEDRM
C[C@@H]1CN(C(=O)c2ccc(C#N)nc2)CCN1C(=O)[O-]	ZINC000739164633	581187356	/nfs/dbraw/zinc/18/73/56/581187356.db2.gz	FJPKHTIJTFIBDJ-SECBINFHSA-N	-1	0	274.280	0.778	20	30		CCEDRM
C[C@@H](CNC(=O)[O-])N(C)C(=O)c1ccc(C#N)cn1	ZINC000738934618	581203595	/nfs/dbraw/zinc/20/35/95/581203595.db2.gz	QPPOZRHAANKQQU-QMMMGPOBSA-N	-1	0	262.269	0.681	20	30		CCEDRM
COC(=O)c1cc(OCC(=O)NCC#N)cc(C(=O)[O-])c1	ZINC000737675359	581217042	/nfs/dbraw/zinc/21/70/42/581217042.db2.gz	OLALKJMFLYROQG-UHFFFAOYSA-N	-1	0	292.247	0.190	20	30		CCEDRM
CSc1c(C([O-])=C(C#N)C(=O)NC(C)C)cnn1C	ZINC000791773116	581233482	/nfs/dbraw/zinc/23/34/82/581233482.db2.gz	HZAZLKGXUHHISF-MRVPVSSYSA-N	-1	0	280.353	0.989	20	30		CCEDRM
N#CCN1CCN(c2ccccc2-c2nn[nH]n2)CC1	ZINC000737697212	581239196	/nfs/dbraw/zinc/23/91/96/581239196.db2.gz	YIHUWACMHNSHSC-UHFFFAOYSA-N	-1	0	269.312	0.512	20	30		CCEDRM
Cc1noc(C)c1S(=O)(=O)[N-]c1cnn(CC#N)c1	ZINC000747408469	581242015	/nfs/dbraw/zinc/24/20/15/581242015.db2.gz	ZYYTYHHEZFHCFC-UHFFFAOYSA-N	-1	0	281.297	0.812	20	30		CCEDRM
C=CCOCCCC(=O)[N-]S(=O)(=O)C[C@H]1CCCO1	ZINC000781510158	581270938	/nfs/dbraw/zinc/27/09/38/581270938.db2.gz	HYWHLNAPRLIHOR-LLVKDONJSA-N	-1	0	291.369	0.594	20	30		CCEDRM
CC[C@H](NN=Cc1cnn(CCOC)c1)C(=O)[O-]	ZINC000793070504	581283161	/nfs/dbraw/zinc/28/31/61/581283161.db2.gz	BRHOGYDMBRRYGN-JTQLQIEISA-N	-1	0	254.290	0.316	20	30		CCEDRM
CC[C@@H](NN=C1CCCC[C@@H]1S(C)(=O)=O)C(=O)[O-]	ZINC000793058552	581283311	/nfs/dbraw/zinc/28/33/11/581283311.db2.gz	VOWKTDVUWNMLBL-SCZZXKLOSA-N	-1	0	276.358	0.782	20	30		CCEDRM
CC[C@H](NN=Cc1ccc2c(c1)NC(=O)CO2)C(=O)[O-]	ZINC000793077951	581283613	/nfs/dbraw/zinc/28/36/13/581283613.db2.gz	KLZPSJPICHNLTM-VIFPVBQESA-N	-1	0	277.280	0.804	20	30		CCEDRM
Cc1ccc(C#N)cc1NC(=O)C(=O)NCC(=O)[O-]	ZINC000740105206	581284168	/nfs/dbraw/zinc/28/41/68/581284168.db2.gz	GWCHUFQATAXWIZ-UHFFFAOYSA-N	-1	0	261.237	0.006	20	30		CCEDRM
Cn1ncc(C([O-])=C(C#N)C(=O)NC2CCCCC2)n1	ZINC000793122921	581284665	/nfs/dbraw/zinc/28/46/65/581284665.db2.gz	FPLRXDSVQLPRBN-JTQLQIEISA-N	-1	0	275.312	0.586	20	30		CCEDRM
CC(=O)c1ccc(C(=O)[N-]S(=O)(=O)CC2(C#N)CC2)o1	ZINC000793205765	581288483	/nfs/dbraw/zinc/28/84/83/581288483.db2.gz	PTCDQSCHPKTJII-UHFFFAOYSA-N	-1	0	296.304	0.846	20	30		CCEDRM
N#CC1(NS(=O)(=O)c2ccc(F)c(C(=O)[O-])c2)CC1	ZINC000738421611	581315155	/nfs/dbraw/zinc/31/51/55/581315155.db2.gz	GRMLLZWPLGYGCX-UHFFFAOYSA-N	-1	0	284.268	0.858	20	30		CCEDRM
N#CCSCC(=O)NCC[C@H]1CCN(C(=O)[O-])C1	ZINC000740310811	581323807	/nfs/dbraw/zinc/32/38/07/581323807.db2.gz	NRITZHRHPWQKOT-VIFPVBQESA-N	-1	0	271.342	0.749	20	30		CCEDRM
C=CCCCS(=O)(=O)N[C@H](C(=O)[O-])C1CCOCC1	ZINC000793969724	581324057	/nfs/dbraw/zinc/32/40/57/581324057.db2.gz	CZUIFCSFDOUGNB-NSHDSACASA-N	-1	0	291.369	0.752	20	30		CCEDRM
N#CC(C(=O)NC1CCCC1)=C([O-])c1cnc2n[nH]nc2c1	ZINC000783069983	581335492	/nfs/dbraw/zinc/33/54/92/581335492.db2.gz	PMQNECNQWXZMQI-JTQLQIEISA-N	-1	0	298.306	0.734	20	30		CCEDRM
C#CCSCCNC(=O)[C@H]1CCC[C@@H]1NC(=O)[O-]	ZINC000738470273	581343726	/nfs/dbraw/zinc/34/37/26/581343726.db2.gz	NPNWTSISBSWLGB-UWVGGRQHSA-N	-1	0	270.354	0.905	20	30		CCEDRM
C[C@H](Oc1ccc(C=NNS(C)(=O)=O)cc1)C(=O)[O-]	ZINC000794918109	581391059	/nfs/dbraw/zinc/39/10/59/581391059.db2.gz	OYLLALBZCRNAEK-QMMMGPOBSA-N	-1	0	286.309	0.422	20	30		CCEDRM
COc1ccc(S(=O)(=O)[N-]c2cnn(CC#N)c2)cn1	ZINC000795305597	581403751	/nfs/dbraw/zinc/40/37/51/581403751.db2.gz	MZDGYMZDKCEHLI-UHFFFAOYSA-N	-1	0	293.308	0.611	20	30		CCEDRM
CCO[N-]C(=O)C(=O)Nc1ccccc1O[C@@H](C)C#N	ZINC000785357303	581405918	/nfs/dbraw/zinc/40/59/18/581405918.db2.gz	DIMKSASDYMMXJY-VIFPVBQESA-N	-1	0	277.280	0.984	20	30		CCEDRM
COCCCNC(=O)C(C#N)=C([O-])c1cncs1	ZINC000796740014	581449389	/nfs/dbraw/zinc/44/93/89/581449389.db2.gz	IWFFWJGSJMHBEO-MRVPVSSYSA-N	-1	0	267.310	0.618	20	30		CCEDRM
C#CCCCCC(=O)[N-]S(=O)(=O)c1cc[nH]n1	ZINC000796868582	581452684	/nfs/dbraw/zinc/45/26/84/581452684.db2.gz	KNRYWVDXPFOWHY-UHFFFAOYSA-N	-1	0	255.299	0.408	20	30		CCEDRM
N#CCCCS(=O)(=O)N(CC(=O)[O-])Cc1ccncc1	ZINC000787932619	581482067	/nfs/dbraw/zinc/48/20/67/581482067.db2.gz	AZVKHZVZOHOUDY-UHFFFAOYSA-N	-1	0	297.336	0.602	20	30		CCEDRM
N#Cc1cccc(OCC(=O)OCCNC(=O)[O-])c1	ZINC000739140626	581510989	/nfs/dbraw/zinc/51/09/89/581510989.db2.gz	VXAXPHRDHFAEBS-UHFFFAOYSA-N	-1	0	264.237	0.748	20	30		CCEDRM
N#Cc1cccc(C(=O)[N-]S(=O)(=O)[C@@H]2CCOC2)c1	ZINC000733718869	581520758	/nfs/dbraw/zinc/52/07/58/581520758.db2.gz	ILDDHNTVAYSUMD-LLVKDONJSA-N	-1	0	280.305	0.407	20	30		CCEDRM
C#CCOCCNC(=O)c1n[n-]c2ccccc2c1=O	ZINC000753228500	581532277	/nfs/dbraw/zinc/53/22/77/581532277.db2.gz	SFWJPHUVWWCJNP-UHFFFAOYSA-N	-1	0	271.276	0.715	20	30		CCEDRM
C=CCOCC(=O)[N-]S(=O)(=O)c1cc(C#N)ccc1C	ZINC000734290966	581554459	/nfs/dbraw/zinc/55/44/59/581554459.db2.gz	CIHVPKZZMTVCPF-UHFFFAOYSA-N	-1	0	294.332	0.874	20	30		CCEDRM
CNC(=O)C(C#N)=C([O-])c1ccc2c(c1)nnn2C	ZINC000729186763	581557268	/nfs/dbraw/zinc/55/72/68/581557268.db2.gz	OPLIZHWGGWKWTI-QMMMGPOBSA-N	-1	0	257.253	0.037	20	30		CCEDRM
COc1cc(C#N)ccc1S(=O)(=O)[N-]C(=O)[C@@H](C)OC	ZINC000766974083	581591070	/nfs/dbraw/zinc/59/10/70/581591070.db2.gz	BOXGDNZTLUOBBC-MRVPVSSYSA-N	-1	0	298.320	0.407	20	30		CCEDRM
CN(CCCNS(=O)(=O)CCCCC#N)C(=O)[O-]	ZINC000739684179	581592708	/nfs/dbraw/zinc/59/27/08/581592708.db2.gz	IJZYOHMYCPQEII-UHFFFAOYSA-N	-1	0	277.346	0.600	20	30		CCEDRM
C=CCCOCC(=O)[N-]S(=O)(=O)c1ccccn1	ZINC000734963939	581599110	/nfs/dbraw/zinc/59/91/10/581599110.db2.gz	KNPWASBGKFCSKF-UHFFFAOYSA-N	-1	0	270.310	0.479	20	30		CCEDRM
CCOCCCNC(=O)C(C#N)=C([O-])c1cocn1	ZINC000729889417	581618751	/nfs/dbraw/zinc/61/87/51/581618751.db2.gz	POWOTJUYRBKQMK-SECBINFHSA-N	-1	0	265.269	0.540	20	30		CCEDRM
COCCNC(=O)C(C#N)=C([O-])c1ncoc1C	ZINC000729889993	581619004	/nfs/dbraw/zinc/61/90/04/581619004.db2.gz	VRFUGEWLEUGEQA-QMMMGPOBSA-N	-1	0	251.242	0.068	20	30		CCEDRM
CC(C)N(C)S(=O)(=O)[N-]C(=O)c1ccc(C#N)cc1	ZINC000729914784	581619750	/nfs/dbraw/zinc/61/97/50/581619750.db2.gz	LWVGQDXNSWEYFS-UHFFFAOYSA-N	-1	0	281.337	0.873	20	30		CCEDRM
C#Cc1ccc(C(=O)NC2(c3nnn[n-]3)CCC2)cn1	ZINC000735389365	581642273	/nfs/dbraw/zinc/64/22/73/581642273.db2.gz	AVJRFJKHZNMLFV-UHFFFAOYSA-N	-1	0	268.280	0.385	20	30		CCEDRM
CSCC[C@H](NC(=O)[O-])C(=O)N[C@@H](C)CC#N	ZINC000740013493	581644943	/nfs/dbraw/zinc/64/49/43/581644943.db2.gz	PSIAXNNEOVFPAX-YUMQZZPRSA-N	-1	0	259.331	0.794	20	30		CCEDRM
N#CCNC(=O)COC(=O)Cc1ccc(NC(=O)[O-])cc1	ZINC000740305549	581662209	/nfs/dbraw/zinc/66/22/09/581662209.db2.gz	OHIJWLJIEURGHH-UHFFFAOYSA-N	-1	0	291.263	0.502	20	30		CCEDRM
N#CCCCCS(=O)(=O)NCCN(C(=O)[O-])C1CC1	ZINC000740306649	581662845	/nfs/dbraw/zinc/66/28/45/581662845.db2.gz	HXPCIKPEDGOYOQ-UHFFFAOYSA-N	-1	0	289.357	0.742	20	30		CCEDRM
N#CCCn1ccc(NC(=O)[C@H]2CCN(C(=O)[O-])C2)n1	ZINC000740308958	581663398	/nfs/dbraw/zinc/66/33/98/581663398.db2.gz	RZMZVAGWIRKYQG-VIFPVBQESA-N	-1	0	277.284	0.735	20	30		CCEDRM
N#CCCCS(=O)(=O)N1CCCC[C@H]1CNC(=O)[O-]	ZINC000740308302	581663517	/nfs/dbraw/zinc/66/35/17/581663517.db2.gz	XILIIHBKZCOAJP-JTQLQIEISA-N	-1	0	289.357	0.742	20	30		CCEDRM
N#CC1(NC(=O)[C@@H]2CCC[C@@H](NC(=O)[O-])C2)CC1	ZINC000740310701	581664052	/nfs/dbraw/zinc/66/40/52/581664052.db2.gz	VRKIGZMUTRYYNI-RKDXNWHRSA-N	-1	0	251.286	0.985	20	30		CCEDRM
N#Cc1ccc(C(=O)NCCN(C(=O)[O-])C2CC2)cn1	ZINC000740314366	581664707	/nfs/dbraw/zinc/66/47/07/581664707.db2.gz	VMEGVPRHUZMNDG-UHFFFAOYSA-N	-1	0	274.280	0.825	20	30		CCEDRM
N#Cc1ccc(OCC(=O)N[C@@H]2CCN(C(=O)[O-])C2)cc1	ZINC000740319559	581665338	/nfs/dbraw/zinc/66/53/38/581665338.db2.gz	VHQVCOVODXPVPA-LLVKDONJSA-N	-1	0	289.291	0.806	20	30		CCEDRM
O=C([O-])N1CCOC[C@@H]1C(=O)NCC#Cc1ccccc1	ZINC000740403535	581677128	/nfs/dbraw/zinc/67/71/28/581677128.db2.gz	CTIIBGMICMOCOG-CYBMUJFWSA-N	-1	0	288.303	0.533	20	30		CCEDRM
C[C@@H](C#N)NC(=O)C1=NN(c2ccccc2)[C@H](C(=O)[O-])C1	ZINC000738605876	581687154	/nfs/dbraw/zinc/68/71/54/581687154.db2.gz	YYFLUBHZFBVLIU-CABZTGNLSA-N	-1	0	286.291	0.734	20	30		CCEDRM
C#CCN(Cc1ccc(C(=O)[O-])o1)[C@@H]1CCS(=O)(=O)C1	ZINC000736080354	581687952	/nfs/dbraw/zinc/68/79/52/581687952.db2.gz	UPPHTWZXWORZGE-SNVBAGLBSA-N	-1	0	297.332	0.600	20	30		CCEDRM
N#Cc1ccc2c(c1)N(C(=O)c1cc(=O)[nH][n-]1)CC2	ZINC000757918119	581714354	/nfs/dbraw/zinc/71/43/54/581714354.db2.gz	CVRQCKWCRVAPBQ-UHFFFAOYSA-N	-1	0	254.249	0.323	20	30		CCEDRM
C[C@@H](C#N)CN(C)C(=O)Nc1ccn(CC(=O)[O-])n1	ZINC000736203869	581715326	/nfs/dbraw/zinc/71/53/26/581715326.db2.gz	WFDNYSZPYIKIJB-QMMMGPOBSA-N	-1	0	265.273	0.591	20	30		CCEDRM
CC(C)[C@@H](C#N)N1CCN(C(=O)C(C)(C)NC(=O)[O-])CC1	ZINC000736347131	581746963	/nfs/dbraw/zinc/74/69/63/581746963.db2.gz	FFFLPRWNXDEBIT-LLVKDONJSA-N	-1	0	296.371	0.725	20	30		CCEDRM
C=CCC(CC=C)C(=O)[N-]S(=O)(=O)[C@@H]1CCOC1	ZINC000758525997	581753033	/nfs/dbraw/zinc/75/30/33/581753033.db2.gz	NYTPIVOAALTRFZ-LLVKDONJSA-N	-1	0	273.354	0.990	20	30		CCEDRM
O=C([O-])c1ccccc1C=NNc1nc2[nH][nH]cc-2c(=O)n1	ZINC000731157199	581755207	/nfs/dbraw/zinc/75/52/07/581755207.db2.gz	GTRGLSCIOSRRQK-UHFFFAOYSA-N	-1	0	298.262	0.576	20	30		CCEDRM
C=CCCCC(=O)[N-]S(=O)(=O)c1cnccn1	ZINC000758560469	581755844	/nfs/dbraw/zinc/75/58/44/581755844.db2.gz	HCRYZZCIGVCMMY-UHFFFAOYSA-N	-1	0	255.299	0.638	20	30		CCEDRM
O=C([O-])c1ccc2c(C=NN3C(=O)CNC3=O)[nH]nc2c1	ZINC000770616582	581756781	/nfs/dbraw/zinc/75/67/81/581756781.db2.gz	SSJFIPBBCIKACV-UHFFFAOYSA-N	-1	0	287.235	0.147	20	30		CCEDRM
Cn1ccnc1C([O-])=C(C#N)C(=O)[C@H]1CCCOC1	ZINC000770869433	581775301	/nfs/dbraw/zinc/77/53/01/581775301.db2.gz	WMVYZAUCHMJJRO-UWVGGRQHSA-N	-1	0	261.281	0.738	20	30		CCEDRM
CCC(=O)N[C@@H](C)C(=O)C(C#N)=C([O-])c1nccn1C	ZINC000770861983	581775607	/nfs/dbraw/zinc/77/56/07/581775607.db2.gz	KZBRORQKPQWREC-IUCAKERBSA-N	-1	0	276.296	0.226	20	30		CCEDRM
N#CC1(CS(=O)(=O)[N-]C(=O)COCC2CC2)CCC1	ZINC000771071804	581789264	/nfs/dbraw/zinc/78/92/64/581789264.db2.gz	OSHZRSFHXULALK-UHFFFAOYSA-N	-1	0	286.353	0.553	20	30		CCEDRM
CCOCCCC(=O)[N-]S(=O)(=O)CC1(C#N)CCC1	ZINC000771070515	581789291	/nfs/dbraw/zinc/78/92/91/581789291.db2.gz	FGHCWCQRLJTHAF-UHFFFAOYSA-N	-1	0	288.369	0.943	20	30		CCEDRM
CCO[C@@H]1C[C@H]1C(=O)[N-]S(=O)(=O)CC1(C#N)CCC1	ZINC000771074940	581789857	/nfs/dbraw/zinc/78/98/57/581789857.db2.gz	WJGVSRJVQMXXGO-NXEZZACHSA-N	-1	0	286.353	0.551	20	30		CCEDRM
N#CC1(CS(=O)(=O)[N-]C(=O)[C@H]2C[C@@]23CCOC3)CCC1	ZINC000771081404	581790331	/nfs/dbraw/zinc/79/03/31/581790331.db2.gz	XEZMABFAJOCDJH-ZWNOBZJWSA-N	-1	0	298.364	0.553	20	30		CCEDRM
N#CC1(CS(=O)(=O)[N-]C(=O)[C@@H]2[C@H]3CCCO[C@H]32)CCC1	ZINC000771077830	581790338	/nfs/dbraw/zinc/79/03/38/581790338.db2.gz	VPOCDFHLECIXGM-GMTAPVOTSA-N	-1	0	298.364	0.551	20	30		CCEDRM
CC(C)(CC(=O)N1CCO[C@@H](C#N)C1)NC(=O)[O-]	ZINC000738733002	581828752	/nfs/dbraw/zinc/82/87/52/581828752.db2.gz	OLKWEIGEWTTWSD-QMMMGPOBSA-N	-1	0	255.274	0.174	20	30		CCEDRM
C[C@@H]1Oc2ccccc2O[C@H]1C(=O)N(CC#N)CC(=O)[O-]	ZINC000736838432	581851292	/nfs/dbraw/zinc/85/12/92/581851292.db2.gz	SFWZJMAXQLJPBH-TVQRCGJNSA-N	-1	0	290.275	0.652	20	30		CCEDRM
C[C@@H](C#N)CNC(=O)C(C)(C)[N-]C(=O)C(F)(F)F	ZINC000760313541	581854353	/nfs/dbraw/zinc/85/43/53/581854353.db2.gz	BUNMMNMLVWQSDM-LURJTMIESA-N	-1	0	265.235	0.719	20	30		CCEDRM
CC(C)[C@@](C)(C#N)NC(=O)CN1CC[C@H](CNC(=O)[O-])C1	ZINC000738761633	581856360	/nfs/dbraw/zinc/85/63/60/581856360.db2.gz	AHXFSCMSDHJQCK-BXUZGUMPSA-N	-1	0	296.371	0.630	20	30		CCEDRM
CO[C@H](C)C(=O)[N-]S(=O)(=O)CC1(C#N)CCCCC1	ZINC000760400741	581857416	/nfs/dbraw/zinc/85/74/16/581857416.db2.gz	NVWZRGOWZFBVDR-SNVBAGLBSA-N	-1	0	288.369	0.941	20	30		CCEDRM
COCCNC(=O)C(C#N)=C([O-])c1scnc1Cl	ZINC000744936504	581858916	/nfs/dbraw/zinc/85/89/16/581858916.db2.gz	QYVJABCOGSUVKU-ZCFIWIBFSA-N	-1	0	287.728	0.882	20	30		CCEDRM
C=CCS(=O)(=O)[N-]C(=O)c1ccc(C#N)s1	ZINC000772712871	581885497	/nfs/dbraw/zinc/88/54/97/581885497.db2.gz	FIOJIFUZVICQDY-UHFFFAOYSA-N	-1	0	256.308	0.865	20	30		CCEDRM
C=CCS(=O)(=O)[N-]C(=O)COCc1ccc(OC)cc1	ZINC000772718623	581886115	/nfs/dbraw/zinc/88/61/15/581886115.db2.gz	SYGINGHSDTULBQ-UHFFFAOYSA-N	-1	0	299.348	0.844	20	30		CCEDRM
C=CCS(=O)(=O)[N-]C(=O)CSC[C@@H]1CCCCO1	ZINC000772718647	581886245	/nfs/dbraw/zinc/88/62/45/581886245.db2.gz	VHMYYWLLJGGESU-JTQLQIEISA-N	-1	0	293.410	0.921	20	30		CCEDRM
C=CCS(=O)(=O)[N-]C(=O)c1cc(C)nc2cc(C)nn21	ZINC000772720495	581886680	/nfs/dbraw/zinc/88/66/80/581886680.db2.gz	NKIRQPNRWNCYJT-UHFFFAOYSA-N	-1	0	294.336	0.592	20	30		CCEDRM
CCOC(=O)C[C@@H](O)C(=O)Nc1cc(C#N)ccc1[O-]	ZINC000774080438	581913026	/nfs/dbraw/zinc/91/30/26/581913026.db2.gz	GWQIDNDWLCMSHS-LLVKDONJSA-N	-1	0	278.264	0.516	20	30		CCEDRM
C=CCN(CC(=O)[O-])C(=O)[C@@H]1CSCN1C(C)=O	ZINC000762069955	581930386	/nfs/dbraw/zinc/93/03/86/581930386.db2.gz	ZXJHMHGGXDLDGK-VIFPVBQESA-N	-1	0	272.326	0.007	20	30		CCEDRM
COCc1nc(C(=O)N(CC#N)CC(=O)[O-])cs1	ZINC000737834543	581940014	/nfs/dbraw/zinc/94/00/14/581940014.db2.gz	GDFNYSCUSOPODO-UHFFFAOYSA-N	-1	0	269.282	0.340	20	30		CCEDRM
CN(C(=O)COC(=O)[C@@H]1C[C@@H]1C(=O)[O-])C(C)(C)C#N	ZINC000737322928	581944552	/nfs/dbraw/zinc/94/45/52/581944552.db2.gz	SAOZYZVHBLSLCL-JGVFFNPUSA-N	-1	0	268.269	0.011	20	30		CCEDRM
Cn1cc([C@@H](O)C(=O)Nc2cc(C#N)ccc2[O-])cn1	ZINC000774079454	581957314	/nfs/dbraw/zinc/95/73/14/581957314.db2.gz	BJYXPSYFPRNVSC-GFCCVEGCSA-N	-1	0	272.264	0.669	20	30		CCEDRM
CN(CCCC(=O)n1ncc(C#N)c1N)C(=O)[O-]	ZINC000737438370	581957924	/nfs/dbraw/zinc/95/79/24/581957924.db2.gz	NELCKQWITVACJZ-UHFFFAOYSA-N	-1	0	251.246	0.367	20	30		CCEDRM
CN([C@H](C(=O)[O-])c1ccc(C#N)cc1)[C@@H]1CCN(C)C1=O	ZINC000737515628	581970758	/nfs/dbraw/zinc/97/07/58/581970758.db2.gz	YWSXXDKFXUXZMB-OLZOCXBDSA-N	-1	0	287.319	0.846	20	30		CCEDRM
C#Cc1ccc(C(=O)NCCCc2n[nH]c(=O)[n-]2)cn1	ZINC000748383492	581972711	/nfs/dbraw/zinc/97/27/11/581972711.db2.gz	UMUOUZOHYQTAFT-UHFFFAOYSA-N	-1	0	271.280	0.249	20	30		CCEDRM
C=CCS(=O)(=O)[N-]C(=O)c1cn2ccccc2n1	ZINC000763034834	581979473	/nfs/dbraw/zinc/97/94/73/581979473.db2.gz	YZWYYOCYIDLLHP-UHFFFAOYSA-N	-1	0	265.294	0.580	20	30		CCEDRM
COC(=O)C[C@H](NC(=O)Cc1ccc(C#N)cc1)C(=O)[O-]	ZINC000737592068	581985203	/nfs/dbraw/zinc/98/52/03/581985203.db2.gz	PWKKHJNVWGOATC-NSHDSACASA-N	-1	0	290.275	0.233	20	30		CCEDRM
COC(=O)CN(CC(=O)[O-])C(=O)c1cccc(CC#N)c1	ZINC000737609002	581990850	/nfs/dbraw/zinc/99/08/50/581990850.db2.gz	SAWPHGLSYXXHME-UHFFFAOYSA-N	-1	0	290.275	0.452	20	30		CCEDRM
COC(=O)CN(CC(=O)[O-])Cc1ccc(F)cc1C#N	ZINC000737615170	581991883	/nfs/dbraw/zinc/99/18/83/581991883.db2.gz	IOAHYFYGLNMGAO-UHFFFAOYSA-N	-1	0	280.255	0.757	20	30		CCEDRM
C[C@H](Oc1ccccc1C#N)C(=O)OCc1n[nH]c(=O)[n-]1	ZINC000774920141	582002269	/nfs/dbraw/zinc/00/22/69/582002269.db2.gz	SVVABHHYUTYIAA-QMMMGPOBSA-N	-1	0	288.263	0.893	20	30		CCEDRM
N#Cc1csc(C(=O)OCc2n[nH]c(=O)[n-]2)c1	ZINC000774968581	582006752	/nfs/dbraw/zinc/00/67/52/582006752.db2.gz	UXHBCIYWSPLHQF-UHFFFAOYSA-N	-1	0	250.239	0.800	20	30		CCEDRM
C=CCS(=O)(=O)[N-]C(=O)c1cccc(C2OCCO2)c1	ZINC000775276500	582017259	/nfs/dbraw/zinc/01/72/59/582017259.db2.gz	TXMBIBYAAKVWJG-UHFFFAOYSA-N	-1	0	297.332	0.978	20	30		CCEDRM
Cc1cc([O-])cc2c1C(=O)C(=NNS(=O)(=O)C(C)C)O2	ZINC000749747506	582020454	/nfs/dbraw/zinc/02/04/54/582020454.db2.gz	HABYYPUCBRUVKJ-UHFFFAOYSA-N	-1	0	298.320	0.917	20	30		CCEDRM
COc1ccc([N+](=O)[O-])c(C(=O)N(CC#N)CC(=O)[O-])c1	ZINC000738068409	582020897	/nfs/dbraw/zinc/02/08/97/582020897.db2.gz	JXGARTPCJZAMIH-UHFFFAOYSA-N	-1	0	293.235	0.654	20	30		CCEDRM
COc1cc(C=NN[C@@H](C)CO)cc([N+](=O)[O-])c1[O-]	ZINC000749820642	582023836	/nfs/dbraw/zinc/02/38/36/582023836.db2.gz	HLYBYLFMOWKGCM-ZETCQYMHSA-N	-1	0	269.257	0.613	20	30		CCEDRM
COc1cc(C=NN[C@H](C)CO)cc([N+](=O)[O-])c1[O-]	ZINC000749820641	582023886	/nfs/dbraw/zinc/02/38/86/582023886.db2.gz	HLYBYLFMOWKGCM-SSDOTTSWSA-N	-1	0	269.257	0.613	20	30		CCEDRM
C=C(C)[C@H](CC(=O)[N-]S(=O)(=O)C[C@@H](C)OC)OCC	ZINC000764187762	582034303	/nfs/dbraw/zinc/03/43/03/582034303.db2.gz	SBMSVIKDHLWDQZ-MNOVXSKESA-N	-1	0	293.385	0.839	20	30		CCEDRM
N#Cc1ccccc1/C=C/C(=O)N1CCO[C@H](C(=O)[O-])C1	ZINC000738434108	582049016	/nfs/dbraw/zinc/04/90/16/582049016.db2.gz	RXAHIDXYRFYUEK-GFUIURDCSA-N	-1	0	286.287	0.883	20	30		CCEDRM
N#CCCCS(=O)(=O)[N-]C(=O)Cc1cccnc1	ZINC000776117543	582052412	/nfs/dbraw/zinc/05/24/12/582052412.db2.gz	TVCPNMJIENBEEA-UHFFFAOYSA-N	-1	0	267.310	0.374	20	30		CCEDRM
C#CCCNC(=O)N1CCC(CNC(=O)[O-])CC1	ZINC000738457454	582052603	/nfs/dbraw/zinc/05/26/03/582052603.db2.gz	OECOLKUBMGZGDU-UHFFFAOYSA-N	-1	0	253.302	0.699	20	30		CCEDRM
CC(C)CO[C@H](C)C(=O)[N-]S(=O)(=O)CCCC#N	ZINC000776122015	582052682	/nfs/dbraw/zinc/05/26/82/582052682.db2.gz	LFZOSECUWAMELA-SNVBAGLBSA-N	-1	0	276.358	0.797	20	30		CCEDRM
C#CCOC(=O)C1=NN(c2ccccc2)[C@H](C(=O)[O-])C1	ZINC000738463329	582053896	/nfs/dbraw/zinc/05/38/96/582053896.db2.gz	PZMQDFGWQQKGBU-LBPRGKRZSA-N	-1	0	272.260	0.882	20	30		CCEDRM
C=C(Br)CNC(=O)NCCN(C)C(=O)[O-]	ZINC000738470991	582054424	/nfs/dbraw/zinc/05/44/24/582054424.db2.gz	OIHATEQAGLXBPA-UHFFFAOYSA-N	-1	0	280.122	0.804	20	30		CCEDRM
C=CCNC(=O)COC(=O)CC(C)(C)NC(=O)[O-]	ZINC000738495192	582055581	/nfs/dbraw/zinc/05/55/81/582055581.db2.gz	JNGYJVQUBZXJOV-UHFFFAOYSA-N	-1	0	258.274	0.268	20	30		CCEDRM
C=C1CCN(C(=O)[C@H]2COCCN2C(=O)[O-])CC1	ZINC000738494688	582056193	/nfs/dbraw/zinc/05/61/93/582056193.db2.gz	UXLHMKUDFJNJLT-SNVBAGLBSA-N	-1	0	254.286	0.544	20	30		CCEDRM
C=CCNC(=O)CN1CCC[C@H](N(C)C(=O)[O-])C1	ZINC000738494347	582056209	/nfs/dbraw/zinc/05/62/09/582056209.db2.gz	AYXIITIUASDNHH-JTQLQIEISA-N	-1	0	255.318	0.363	20	30		CCEDRM
COc1cc(C=NNS(C)(=O)=O)cc([N+](=O)[O-])c1[O-]	ZINC000764708742	582063670	/nfs/dbraw/zinc/06/36/70/582063670.db2.gz	RIOQPAFDDHNJCC-UHFFFAOYSA-N	-1	0	289.269	0.192	20	30		CCEDRM
C[C@H](C#N)C(=O)N1CCC(CN(C)C(=O)[O-])CC1	ZINC000738596306	582064370	/nfs/dbraw/zinc/06/43/70/582064370.db2.gz	IEOIMZBJKUHGQQ-SECBINFHSA-N	-1	0	253.302	0.994	20	30		CCEDRM
C[C@@H](C#N)CNC(=O)c1csc(CNC(=O)[O-])n1	ZINC000738603598	582064931	/nfs/dbraw/zinc/06/49/31/582064931.db2.gz	QFBDVSSQUBISPI-LURJTMIESA-N	-1	0	268.298	0.800	20	30		CCEDRM
C[C@@H](C#N)CN(C)C(=O)N[C@@H]1CCN(C(=O)[O-])C1	ZINC000738597263	582065153	/nfs/dbraw/zinc/06/51/53/582065153.db2.gz	QDCPTTJBFSGGPJ-DTWKUNHWSA-N	-1	0	254.290	0.540	20	30		CCEDRM
Cc1cccn2cc(CC(=O)N(CC#N)CC(=O)[O-])nc12	ZINC000738785256	582076117	/nfs/dbraw/zinc/07/61/17/582076117.db2.gz	MODCOWFKJHVEGZ-UHFFFAOYSA-N	-1	0	286.291	0.622	20	30		CCEDRM
N#C[C@H]1COCCN1C(=O)c1ccc(C(=O)[O-])cc1	ZINC000739068600	582100523	/nfs/dbraw/zinc/10/05/23/582100523.db2.gz	GKGNFFMZUNKYGW-NSHDSACASA-N	-1	0	260.249	0.749	20	30		CCEDRM
N#CCN(CC(=O)[O-])C(=O)c1cc2ccccc2[nH]c1=O	ZINC000739085902	582101909	/nfs/dbraw/zinc/10/19/09/582101909.db2.gz	DVNQXEMDNFJMGG-UHFFFAOYSA-N	-1	0	285.259	0.991	20	30		CCEDRM
N#CCNC(=O)COC(=O)c1ccc(C(=O)[O-])s1	ZINC000739085452	582101916	/nfs/dbraw/zinc/10/19/16/582101916.db2.gz	HIVUHWYLRGXLEX-UHFFFAOYSA-N	-1	0	268.250	0.243	20	30		CCEDRM
C#CCCCNC(=O)NC[C@H]1CCCN1C(=O)[O-]	ZINC000823444991	612982157	/nfs/dbraw/zinc/98/21/57/612982157.db2.gz	SJKHOWJDAHOQRD-SNVBAGLBSA-N	-1	0	253.302	0.841	20	30		CCEDRM
C[C@](C#N)(CC(=O)[O-])C(=O)Nc1nc2ccccn2n1	ZINC000819865710	597608958	/nfs/dbraw/zinc/60/89/58/597608958.db2.gz	NTPAHMMBMYCLAH-GFCCVEGCSA-N	-1	0	273.252	0.672	20	30		CCEDRM
C[C@H](COC(=O)[C@@](C)(C#N)CC(=O)[O-])CS(C)(=O)=O	ZINC000820102050	597617353	/nfs/dbraw/zinc/61/73/53/597617353.db2.gz	NZBANXJAQSDORE-LDYMZIIASA-N	-1	0	291.325	0.215	20	30		CCEDRM
Cn1ccc(COC(=O)[C@@](C)(C#N)CC(=O)[O-])cc1=O	ZINC000821304662	597621706	/nfs/dbraw/zinc/62/17/06/597621706.db2.gz	AMSAJQKRLGKXJM-CYBMUJFWSA-N	-1	0	278.264	0.433	20	30		CCEDRM
C[C@@](C#N)(CC(=O)[O-])C(=O)NCC[C@H]1CCCO1	ZINC000819834773	597631395	/nfs/dbraw/zinc/63/13/95/597631395.db2.gz	OZUWNRGWRQNAEB-SKDRFNHKSA-N	-1	0	254.286	0.676	20	30		CCEDRM
C[C@](C#N)(CC(=O)[O-])C(=O)N1CCC[C@H](CO)C1	ZINC000819811242	597632666	/nfs/dbraw/zinc/63/26/66/597632666.db2.gz	MIEYPLMIKMPDRD-JOYOIKCWSA-N	-1	0	254.286	0.222	20	30		CCEDRM
C[C@H](Cn1ccnc1)NC(=O)[C@@](C)(C#N)CC(=O)[O-]	ZINC000820107554	597633441	/nfs/dbraw/zinc/63/34/41/597633441.db2.gz	MYRGJVXKDIRWHA-BXKDBHETSA-N	-1	0	264.285	0.392	20	30		CCEDRM
C[C@H](CNC(=O)[C@](C)(C#N)CC(=O)[O-])Cn1cccn1	ZINC000820095912	597634933	/nfs/dbraw/zinc/63/49/33/597634933.db2.gz	WKMBFAPWZNKYHD-MFKMUULPSA-N	-1	0	278.312	0.640	20	30		CCEDRM
C[C@@H](NC(=O)[C@](C)(C#N)CC(=O)[O-])C(=O)NC(C)(C)C	ZINC000820115477	597637647	/nfs/dbraw/zinc/63/76/47/597637647.db2.gz	WUFNMULUGJGFEN-OQPBUACISA-N	-1	0	283.328	0.410	20	30		CCEDRM
C[C@H](NC(=O)[C@@](C)(C#N)CC(=O)[O-])C(=O)NC(C)(C)C	ZINC000820115475	597637706	/nfs/dbraw/zinc/63/77/06/597637706.db2.gz	WUFNMULUGJGFEN-ISVAXAHUSA-N	-1	0	283.328	0.410	20	30		CCEDRM
Cc1n[nH]cc1CNC(=O)[C@](C)(C#N)CC(=O)[O-]	ZINC000821153763	597639158	/nfs/dbraw/zinc/63/91/58/597639158.db2.gz	ZMJCGZOOYBDIPK-NSHDSACASA-N	-1	0	250.258	0.339	20	30		CCEDRM
C[C@](C#N)(CC(=O)[O-])C(=O)N1CCC[C@@H](C2OCCO2)C1	ZINC000819811643	597642628	/nfs/dbraw/zinc/64/26/28/597642628.db2.gz	SSFHYOSGZWIZNM-QMTHXVAHSA-N	-1	0	296.323	0.602	20	30		CCEDRM
C[C@](C#N)(CC(=O)[O-])C(=O)N1CCC[C@H](n2cncn2)C1	ZINC000819811296	597643967	/nfs/dbraw/zinc/64/39/67/597643967.db2.gz	NAMXEKCSMWLDQC-GXFFZTMASA-N	-1	0	291.311	0.446	20	30		CCEDRM
C[C@](C#N)(CC(=O)[O-])C(=O)NCC1(O)CCCC1	ZINC000819832480	597649753	/nfs/dbraw/zinc/64/97/53/597649753.db2.gz	BOONAYMRLDPCQD-LLVKDONJSA-N	-1	0	254.286	0.412	20	30		CCEDRM
C[C@](C#N)(CC(=O)[O-])C(=O)NC[C@@H]1CCCC[C@@H]1O	ZINC000819834851	597652843	/nfs/dbraw/zinc/65/28/43/597652843.db2.gz	PLSICBKIPAUSAO-OUJBWJOFSA-N	-1	0	268.313	0.658	20	30		CCEDRM
C[C@](C#N)(CC(=O)[O-])C(=O)N[C@@H]1CCCc2c[nH]nc21	ZINC000819824128	597656672	/nfs/dbraw/zinc/65/66/72/597656672.db2.gz	XUILXRIUXWBZPT-NOZJJQNGSA-N	-1	0	276.296	0.908	20	30		CCEDRM
N#Cc1ccc(SCC(=O)NCC(=O)[O-])nc1	ZINC000821336176	597753506	/nfs/dbraw/zinc/75/35/06/597753506.db2.gz	SOEFCENBUYDLNX-UHFFFAOYSA-N	-1	0	251.267	0.246	20	30		CCEDRM
N#CCCNC(=O)COC(=O)c1ccc(C(=O)[O-])cc1	ZINC000821324857	598159167	/nfs/dbraw/zinc/15/91/67/598159167.db2.gz	TUKWXPGBLOTYIZ-UHFFFAOYSA-N	-1	0	276.248	0.571	20	30		CCEDRM
N#CCCn1ccc(NC(=O)N2CCC[C@H]2C(=O)[O-])n1	ZINC000821324849	598207045	/nfs/dbraw/zinc/20/70/45/598207045.db2.gz	SGICAYBQUFVOCS-VIFPVBQESA-N	-1	0	277.284	0.878	20	30		CCEDRM
C[C@H](NC(=O)[C@@](C)(C#N)CC(=O)[O-])c1cnn(C)c1	ZINC000820114562	598228351	/nfs/dbraw/zinc/22/83/51/598228351.db2.gz	PKQLGHFEZQIPAF-QPUJVOFHSA-N	-1	0	264.285	0.602	20	30		CCEDRM
C[C@H](NC(=O)[C@@](C)(C#N)CC(=O)[O-])C(=O)OC1CCCC1	ZINC000820919971	598229718	/nfs/dbraw/zinc/22/97/18/598229718.db2.gz	FJMPICCFEAYJLM-LKFCYVNXSA-N	-1	0	296.323	0.981	20	30		CCEDRM
C[C@H](C[C@H]1CCOC1)NC(=O)[C@](C)(C#N)CC(=O)[O-]	ZINC000820088486	598230310	/nfs/dbraw/zinc/23/03/10/598230310.db2.gz	AIXGGFSJCALNNQ-BREBYQMCSA-N	-1	0	268.313	0.922	20	30		CCEDRM
C#CCO[C@H](C)C(=O)N1CC[C@H]2[C@@H](C1)[C@H]2C(=O)[O-]	ZINC000910852664	613000517	/nfs/dbraw/zinc/00/05/17/613000517.db2.gz	VDVSEYKMBFHZJB-YTWAJWBKSA-N	-1	0	251.282	0.204	20	30		CCEDRM
C#CC(=O)N[C@H](CC(=O)[O-])c1ccc(OC)cc1OC	ZINC000833360126	612945726	/nfs/dbraw/zinc/94/57/26/612945726.db2.gz	DIDZKPONSKCYDF-LLVKDONJSA-N	-1	0	277.276	0.969	20	30		CCEDRM
N#C[C@H]1CN(S(=O)(=O)c2cccc(C(=O)[O-])c2)CCO1	ZINC000093932468	599981221	/nfs/dbraw/zinc/98/12/21/599981221.db2.gz	VIZWLRHSRYFZEM-JTQLQIEISA-N	-1	0	296.304	0.298	20	30		CCEDRM
C#CCNC(=O)N1CC[C@@](C)([N-]C(=O)C(F)(F)F)C1	ZINC000864428134	612946756	/nfs/dbraw/zinc/94/67/56/612946756.db2.gz	BRNQJJIUIDQFJP-SNVBAGLBSA-N	-1	0	277.246	0.472	20	30		CCEDRM
Cc1ccc(C#N)cc1S(=O)(=O)NCCC(=O)[O-]	ZINC000070430274	600517154	/nfs/dbraw/zinc/51/71/54/600517154.db2.gz	ZCPWEZCYBZRWCA-UHFFFAOYSA-N	-1	0	268.294	0.620	20	30		CCEDRM
N#CCN(CC(=O)[O-])S(=O)(=O)c1ccc(Cl)cc1	ZINC000586154832	600764007	/nfs/dbraw/zinc/76/40/07/600764007.db2.gz	IRZHWGUOJQTFBH-UHFFFAOYSA-N	-1	0	288.712	0.939	20	30		CCEDRM
N#CCN1CCC(NC(=O)[C@H]2CCC[C@H](C(=O)[O-])C2)CC1	ZINC000833066926	600940092	/nfs/dbraw/zinc/94/00/92/600940092.db2.gz	LETZQISLHKKWFR-RYUDHWBXSA-N	-1	0	293.367	0.982	20	30		CCEDRM
Cn1c(CN(CC#N)CC(=O)[O-])nc2ccccc21	ZINC000833038232	601004079	/nfs/dbraw/zinc/00/40/79/601004079.db2.gz	AARJDRODWMOKBZ-UHFFFAOYSA-N	-1	0	258.281	0.983	20	30		CCEDRM
N#CCN(CC(=O)[O-])CC(=O)NC1CCCCC1	ZINC000833065886	601004142	/nfs/dbraw/zinc/00/41/42/601004142.db2.gz	JDPVREZSVJKQDV-UHFFFAOYSA-N	-1	0	253.302	0.345	20	30		CCEDRM
C=CCNC(=O)CN1CCSC[C@@H]1CC(=O)[O-]	ZINC000091132107	601019220	/nfs/dbraw/zinc/01/92/20/601019220.db2.gz	PCHBDQUIAHNBTJ-VIFPVBQESA-N	-1	0	258.343	0.181	20	30		CCEDRM
N#C[C@H]1COCCN1CC(=O)Nc1ccsc1C(=O)[O-]	ZINC000833061819	601041873	/nfs/dbraw/zinc/04/18/73/601041873.db2.gz	HXLFBICYEOFULY-QMMMGPOBSA-N	-1	0	295.320	0.609	20	30		CCEDRM
COc1ccc(C(=O)[O-])cc1S(=O)(=O)N[C@@H](C)CC#N	ZINC000050391987	601229975	/nfs/dbraw/zinc/22/99/75/601229975.db2.gz	JCPITBCGBRNOOU-QMMMGPOBSA-N	-1	0	298.320	0.974	20	30		CCEDRM
Cc1ccccc1C(=O)NCC(=O)N(CC#N)CC(=O)[O-]	ZINC000832976545	601241714	/nfs/dbraw/zinc/24/17/14/601241714.db2.gz	QZUSJTRXQPGZOF-UHFFFAOYSA-N	-1	0	289.291	0.162	20	30		CCEDRM
Cn1cc(C#N)cc1C(=O)NC1(CC(=O)[O-])CCOCC1	ZINC000833041101	601270173	/nfs/dbraw/zinc/27/01/73/601270173.db2.gz	XQVZXILERPXLPO-UHFFFAOYSA-N	-1	0	291.307	0.650	20	30		CCEDRM
C[C@@H]1CCC[C@](C#N)(NC(=O)Cn2cc(C(=O)[O-])nn2)C1	ZINC000828232502	601287364	/nfs/dbraw/zinc/28/73/64/601287364.db2.gz	GNNQTALHVFZWEF-RNCFNFMXSA-N	-1	0	291.311	0.565	20	30		CCEDRM
C#CCSCCNC(=O)c1ccnc(C(=O)[O-])c1	ZINC000231965205	601289619	/nfs/dbraw/zinc/28/96/19/601289619.db2.gz	DITHTEAAPFLWLX-UHFFFAOYSA-N	-1	0	264.306	0.876	20	30		CCEDRM
C#CCNC(=O)COc1cc(C)sc1C(=O)[O-]	ZINC000070428878	601350823	/nfs/dbraw/zinc/35/08/23/601350823.db2.gz	BTJCCAMNSVUXEB-UHFFFAOYSA-N	-1	0	253.279	0.883	20	30		CCEDRM
N#CCCCCS(=O)(=O)N1CC[C@@](F)(C(=O)[O-])C1	ZINC000833065385	601390704	/nfs/dbraw/zinc/39/07/04/601390704.db2.gz	AAFMJXFSFSTOAR-JTQLQIEISA-N	-1	0	278.305	0.509	20	30		CCEDRM
Cn1cc(S(=O)(=O)N[C@H]2CCC[C@@H]2C#N)cc1C(=O)[O-]	ZINC000061890067	601477270	/nfs/dbraw/zinc/47/72/70/601477270.db2.gz	RIVUKJHGAQEKFO-SCZZXKLOSA-N	-1	0	297.336	0.694	20	30		CCEDRM
N#CC1(NC(=O)CN2CCOC[C@H]2C(=O)[O-])CCCCC1	ZINC000833063841	601561981	/nfs/dbraw/zinc/56/19/81/601561981.db2.gz	BGGYNBARLNYCSB-NSHDSACASA-N	-1	0	295.339	0.114	20	30		CCEDRM
C[C@@H]1CN(S(=O)(=O)CCCC#N)C[C@@H]1C(=O)[O-]	ZINC000828469919	601588992	/nfs/dbraw/zinc/58/89/92/601588992.db2.gz	DBCJOPFPSXAMAT-BDAKNGLRSA-N	-1	0	260.315	0.272	20	30		CCEDRM
N#Cc1ccccc1OCC(=O)N1CCOC[C@H]1C(=O)[O-]	ZINC000088374282	601606157	/nfs/dbraw/zinc/60/61/57/601606157.db2.gz	RQRDOXFTDXDOCV-NSHDSACASA-N	-1	0	290.275	0.249	20	30		CCEDRM
N#Cc1ccc(CC(=O)N2CCOC[C@H]2C(=O)[O-])cc1	ZINC000704666433	601606299	/nfs/dbraw/zinc/60/62/99/601606299.db2.gz	WXDCINCEFAEJHJ-LBPRGKRZSA-N	-1	0	274.276	0.413	20	30		CCEDRM
N#C[C@H]1COCCN1CC(=O)NC1(C(=O)[O-])CCCCC1	ZINC000833061589	601644268	/nfs/dbraw/zinc/64/42/68/601644268.db2.gz	DSRKUKOMFLVLLM-NSHDSACASA-N	-1	0	295.339	0.114	20	30		CCEDRM
N#Cc1ccc(C(=O)N[C@]2(C(=O)[O-])CCOC2)s1	ZINC000833070606	601722374	/nfs/dbraw/zinc/72/23/74/601722374.db2.gz	OAYVATCNOQAIBL-LLVKDONJSA-N	-1	0	266.278	0.593	20	30		CCEDRM
CCN(C[C@H](C)C#N)S(=O)(=O)C[C@@H](C)C(=O)[O-]	ZINC000829642896	601781388	/nfs/dbraw/zinc/78/13/88/601781388.db2.gz	PCKWDOVKMQVVEJ-RKDXNWHRSA-N	-1	0	262.331	0.518	20	30		CCEDRM
Cc1cc(S(=O)(=O)NCC#N)ccc1C(=O)[O-]	ZINC000304589473	602153888	/nfs/dbraw/zinc/15/38/88/602153888.db2.gz	PDIOFZJWYQDKIZ-UHFFFAOYSA-N	-1	0	254.267	0.495	20	30		CCEDRM
COc1cc(C=NN(C)[C@H](C)CO)c([N+](=O)[O-])cc1O	ZINC000842542784	617179137	/nfs/dbraw/zinc/17/91/37/617179137.db2.gz	CWGHXYIXONYNCM-MRVPVSSYSA-N	-1	0	283.284	0.956	20	30		CCEDRM
C=C(C)COCCNC(=O)N1C[C@H](C)[C@@H](C(=O)[O-])C1	ZINC000164129467	602346372	/nfs/dbraw/zinc/34/63/72/602346372.db2.gz	CVEOZQWQDWQPCF-QWRGUYRKSA-N	-1	0	270.329	0.941	20	30		CCEDRM
C#CCSCCNS(=O)(=O)N=[S@@](C)(=O)CC	ZINC000866853325	613018049	/nfs/dbraw/zinc/01/80/49/613018049.db2.gz	WKSPEACHJUJMCG-HNNXBMFYSA-N	-1	0	284.428	0.305	20	30		CCEDRM
C#CCSCCNS(=O)(=O)N=S(=O)(CC)CC	ZINC000866853154	613018113	/nfs/dbraw/zinc/01/81/13/613018113.db2.gz	RACTUZQPTQCNRQ-UHFFFAOYSA-N	-1	0	298.455	0.695	20	30		CCEDRM
COc1cc(C=Nn2c(=O)[n-][nH]c2=O)cc2c1OCCO2	ZINC000814231272	617179535	/nfs/dbraw/zinc/17/95/35/617179535.db2.gz	BHTUSWVWAQSVCH-UHFFFAOYSA-N	-1	0	292.251	0.351	20	30		CCEDRM
N#CCN(CC#N)C(=O)C[C@H]1CCCN1C(=O)[O-]	ZINC000831097747	602785604	/nfs/dbraw/zinc/78/56/04/602785604.db2.gz	SLXJDVWJWFFSMA-SECBINFHSA-N	-1	0	250.258	0.395	20	30		CCEDRM
N#CCN1CCC(NC(=O)C[C@H]2CCCN2C(=O)[O-])CC1	ZINC000831102323	602882654	/nfs/dbraw/zinc/88/26/54/602882654.db2.gz	GXMWIUIGHYPRIL-GFCCVEGCSA-N	-1	0	294.355	0.623	20	30		CCEDRM
C#CCNC(=O)[C@H](C)OC(=O)C1CCC(C(=O)[O-])CC1	ZINC000833365867	612950558	/nfs/dbraw/zinc/95/05/58/612950558.db2.gz	VHGXYZYOGUKHMM-WHXUTIOJSA-N	-1	0	281.308	0.559	20	30		CCEDRM
N#CCN1CCC(NC(=O)[C@@H]2CC[C@@H](NC(=O)[O-])C2)CC1	ZINC000831102780	603580490	/nfs/dbraw/zinc/58/04/90/603580490.db2.gz	UJYJIFFPMIURRR-ZYHUDNBSSA-N	-1	0	294.355	0.527	20	30		CCEDRM
CC(C)N(CCC#N)CN1CC2(CN(C(=O)[O-])C2)CC1=O	ZINC000824335756	603585515	/nfs/dbraw/zinc/58/55/15/603585515.db2.gz	GRJUNVOSAVFOAI-UHFFFAOYSA-N	-1	0	294.355	0.780	20	30		CCEDRM
N#C[C@H]1CN(C(=O)[O-])CCN1C(=O)/C=C/c1cccnc1	ZINC000831076422	603598183	/nfs/dbraw/zinc/59/81/83/603598183.db2.gz	METMRSOWCHJJEI-PCAWENJQSA-N	-1	0	286.291	0.809	20	30		CCEDRM
Cc1ccc(CC(=O)N2CCN(C(=O)[O-])C[C@H]2C#N)cn1	ZINC000830288676	603601655	/nfs/dbraw/zinc/60/16/55/603601655.db2.gz	MCLBQQATDZQLIP-GFCCVEGCSA-N	-1	0	288.307	0.647	20	30		CCEDRM
N#CCN1CCN(C(=O)[C@H]2CCC[C@@H]2NC(=O)[O-])CC1	ZINC000831102631	603626316	/nfs/dbraw/zinc/62/63/16/603626316.db2.gz	PKIMDVRCBYZBOQ-QWRGUYRKSA-N	-1	0	280.328	0.090	20	30		CCEDRM
N#CCN1CCN(C(=O)C2(NC(=O)[O-])CCCCC2)CC1	ZINC000831102297	603626620	/nfs/dbraw/zinc/62/66/20/603626620.db2.gz	GBSPLSVWIQOGFQ-UHFFFAOYSA-N	-1	0	294.355	0.625	20	30		CCEDRM
Cc1noc(C)c1CN1CCN(C(=O)[O-])C[C@@H]1C#N	ZINC000830914321	603725466	/nfs/dbraw/zinc/72/54/66/603725466.db2.gz	OYMHTILBUYWQDV-JTQLQIEISA-N	-1	0	264.285	0.979	20	30		CCEDRM
N#C[C@@H]1CN(C(=O)[O-])CCN1CC(=O)NC1CCCC1	ZINC000831092084	603726028	/nfs/dbraw/zinc/72/60/28/603726028.db2.gz	PMGXVEIQIUXYKH-LLVKDONJSA-N	-1	0	280.328	0.233	20	30		CCEDRM
C#CCNC(=O)[C@H](C)ON=C(N)[C@@H](CC(C)C)NC(=O)[O-]	ZINC000823455484	612952080	/nfs/dbraw/zinc/95/20/80/612952080.db2.gz	CVLKTWNEZOLRGR-VHSXEESVSA-N	-1	0	298.343	0.305	20	30		CCEDRM
N#C[C@H]1CN(C(=O)[O-])CCN1C(=O)c1ccc2n[nH]cc2c1	ZINC000831087386	604066617	/nfs/dbraw/zinc/06/66/17/604066617.db2.gz	LHDKKCLNYMMYHR-NSHDSACASA-N	-1	0	299.290	0.891	20	30		CCEDRM
Cc1cc(C(=O)N2CCN(C(=O)[O-])C[C@H]2C#N)c(C)[nH]1	ZINC000829929855	604081933	/nfs/dbraw/zinc/08/19/33/604081933.db2.gz	DIUKMWFANJHAJJ-SNVBAGLBSA-N	-1	0	276.296	0.960	20	30		CCEDRM
N#Cc1cc(COC(=O)COCCNC(=O)[O-])ccn1	ZINC000831114422	604125486	/nfs/dbraw/zinc/12/54/86/604125486.db2.gz	OELDDPVIUXEYRQ-UHFFFAOYSA-N	-1	0	279.252	0.281	20	30		CCEDRM
C[C@H](CN(C)C(=O)[O-])C(=O)N1CCN(C2CC2)[C@H](C#N)C1	ZINC000824839803	604167311	/nfs/dbraw/zinc/16/73/11/604167311.db2.gz	GXUWMHDVIVOIMN-ZYHUDNBSSA-N	-1	0	294.355	0.431	20	30		CCEDRM
N#C[C@@H]1CN(C(=O)N[C@H]2CCC[C@@H]2CNC(=O)[O-])CCO1	ZINC000831075496	604183864	/nfs/dbraw/zinc/18/38/64/604183864.db2.gz	AEEJVEXEVVESAE-MXWKQRLJSA-N	-1	0	296.327	0.357	20	30		CCEDRM
N#C[C@@H](C(=O)CC1(NC(=O)[O-])CCC1)C(=O)N1CCCC1	ZINC000831066436	604252142	/nfs/dbraw/zinc/25/21/42/604252142.db2.gz	WZRQJUHOQMLJPZ-JTQLQIEISA-N	-1	0	293.323	0.898	20	30		CCEDRM
N#C[C@@H]1CN(C(=O)[O-])CCN1C(=O)[C@H]1CC12CCC2	ZINC000831076896	604373339	/nfs/dbraw/zinc/37/33/39/604373339.db2.gz	UKJVOLNMINHVFO-NXEZZACHSA-N	-1	0	263.297	0.891	20	30		CCEDRM
C#CC[C@@H](NC(=O)COCC1CCCC1)C(=O)[O-]	ZINC000910051420	613039664	/nfs/dbraw/zinc/03/96/64/613039664.db2.gz	UXGCOTDDWDNXDQ-LLVKDONJSA-N	-1	0	253.298	0.786	20	30		CCEDRM
C[C@H](C#N)C(=O)N1CCO[C@H]([C@H](C)NC(=O)[O-])C1	ZINC000823646485	604676980	/nfs/dbraw/zinc/67/69/80/604676980.db2.gz	COCHZONMXCRKMD-VGMNWLOBSA-N	-1	0	255.274	0.030	20	30		CCEDRM
C#CC[C@@H](NC(=O)[C@@H]1CCn2ccnc2C1)C(=O)[O-]	ZINC000910047983	613040651	/nfs/dbraw/zinc/04/06/51/613040651.db2.gz	BGPIBXCALBKMBA-NXEZZACHSA-N	-1	0	261.281	0.038	20	30		CCEDRM
C[C@@H](C(N)=O)N(C)[C@@H](C(=O)[O-])c1cccc(C#N)c1	ZINC000833406666	604972035	/nfs/dbraw/zinc/97/20/35/604972035.db2.gz	DEIKILSNGKGTLG-GZMMTYOYSA-N	-1	0	261.281	0.490	20	30		CCEDRM
C[C@@H]1CC(=O)CC[C@H]1C(=O)N(CC#N)CC(=O)[O-]	ZINC000833587523	604998785	/nfs/dbraw/zinc/99/87/85/604998785.db2.gz	LFOOPNFJSJPBEC-PSASIEDQSA-N	-1	0	252.270	0.428	20	30		CCEDRM
N#Cc1ccccc1COC(=O)[C@@H]1CN(C(=O)[O-])CCO1	ZINC000831152969	605068622	/nfs/dbraw/zinc/06/86/22/605068622.db2.gz	TWVSMSRCKVNKIO-LBPRGKRZSA-N	-1	0	290.275	0.980	20	30		CCEDRM
N#CC1(OC(=O)[C@H]2CN(C(=O)[O-])CCO2)CCC1	ZINC000831075903	605087741	/nfs/dbraw/zinc/08/77/41/605087741.db2.gz	DNWLIVDDIOPNQF-MRVPVSSYSA-N	-1	0	254.242	0.355	20	30		CCEDRM
C=C[C@H](C)NC(=O)NCC1(C(=O)[O-])CCOCC1	ZINC000158859790	605088084	/nfs/dbraw/zinc/08/80/84/605088084.db2.gz	SCWLAAYVPAAWHD-VIFPVBQESA-N	-1	0	256.302	0.742	20	30		CCEDRM
CC(C)(CC(=O)[O-])CC(=O)N1CCO[C@H](C#N)C1	ZINC000093932417	605109562	/nfs/dbraw/zinc/10/95/62/605109562.db2.gz	ZRYUXOXSNBYDHO-SECBINFHSA-N	-1	0	254.286	0.628	20	30		CCEDRM
N#CCNC(=O)COC(=O)CCC1CCN(C(=O)[O-])CC1	ZINC000833966212	605326111	/nfs/dbraw/zinc/32/61/11/605326111.db2.gz	BYXSFQOIWFJASK-UHFFFAOYSA-N	-1	0	297.311	0.340	20	30		CCEDRM
O=C([O-])NCCCN=Nc1nccc(N2CCOCC2)n1	ZINC000832604992	605470332	/nfs/dbraw/zinc/47/03/32/605470332.db2.gz	GFNKQUYIUDJBBB-UHFFFAOYSA-N	-1	0	294.315	0.369	20	30		CCEDRM
C#CCCNC(=O)C(=O)Nc1ccc(C)cc1C(=O)[O-]	ZINC000833365452	613046760	/nfs/dbraw/zinc/04/67/60/613046760.db2.gz	RCLOURGTYAZBPT-UHFFFAOYSA-N	-1	0	274.276	0.771	20	30		CCEDRM
N#CCN1CCN(C[C@@H]2CCCN2C(=O)[O-])CC1	ZINC000833966221	605583323	/nfs/dbraw/zinc/58/33/23/605583323.db2.gz	CEMJLKCBIVBLSC-NSHDSACASA-N	-1	0	252.318	0.270	20	30		CCEDRM
N#C[C@@H]1CN(Cc2ccc(NC(=O)[O-])nc2)CCO1	ZINC000833967083	605590559	/nfs/dbraw/zinc/59/05/59/605590559.db2.gz	PPJDVQXVFUIYCH-SNVBAGLBSA-N	-1	0	262.269	0.896	20	30		CCEDRM
N#C[C@H]1COCCN1CCC1CCN(C(=O)[O-])CC1	ZINC000833968497	605605672	/nfs/dbraw/zinc/60/56/72/605605672.db2.gz	VSNUMEMATXEQSP-LBPRGKRZSA-N	-1	0	267.329	0.991	20	30		CCEDRM
C=CCOCCNS(=O)(=O)c1cc(C(=O)[O-])n(C)c1	ZINC000388736525	605614661	/nfs/dbraw/zinc/61/46/61/605614661.db2.gz	YFXGTQMHDOAFDZ-UHFFFAOYSA-N	-1	0	288.325	0.204	20	30		CCEDRM
C=CCOCCNC(=O)N1C[C@H](C(=O)[O-])[C@H](C)C1	ZINC000385492305	605634529	/nfs/dbraw/zinc/63/45/29/605634529.db2.gz	QKVSXAPAFOEFAK-ZJUUUORDSA-N	-1	0	256.302	0.551	20	30		CCEDRM
C[C@@H](NC(=O)[O-])[C@H]1CN(c2cnccc2C#N)CCO1	ZINC000833820521	605651425	/nfs/dbraw/zinc/65/14/25/605651425.db2.gz	RWUSCMWBEXJHGI-BXKDBHETSA-N	-1	0	276.296	0.815	20	30		CCEDRM
C[C@H](C#N)NC(=O)CO[C@@H]1CCCN(C(=O)[O-])C1	ZINC000823647135	605669049	/nfs/dbraw/zinc/66/90/49/605669049.db2.gz	JDHKEVBTRXUSQY-RKDXNWHRSA-N	-1	0	255.274	0.174	20	30		CCEDRM
N#C[C@@H]1CN(C(=O)[O-])C[C@H]1NC[C@@H](O)c1cccc(F)c1	ZINC000833966536	605685520	/nfs/dbraw/zinc/68/55/20/605685520.db2.gz	LSHNAQSIGHLIOZ-RAIGVLPGSA-N	-1	0	293.298	0.951	20	30		CCEDRM
Cc1onc(CC(=O)N(C)CCCNC(=O)[O-])c1C#N	ZINC000833935696	605693325	/nfs/dbraw/zinc/69/33/25/605693325.db2.gz	HTCLBTBYXDQUEL-UHFFFAOYSA-N	-1	0	280.284	0.513	20	30		CCEDRM
N#C[C@@H]1CN(C(=O)[O-])CCN1C(=O)[C@H]1CCCCO1	ZINC000831075692	605710284	/nfs/dbraw/zinc/71/02/84/605710284.db2.gz	BYOHABKXQSRCKB-NXEZZACHSA-N	-1	0	267.285	0.270	20	30		CCEDRM
C[C@H]1C[C@H](NC(=O)[O-])CCN1C(=O)CSCC#N	ZINC000825811094	605751658	/nfs/dbraw/zinc/75/16/58/605751658.db2.gz	ZIDWMSOULISWHC-DTWKUNHWSA-N	-1	0	271.342	0.890	20	30		CCEDRM
N#Cc1cccc(NC(=O)[C@@H](CC(N)=O)NC(=O)[O-])c1	ZINC000833977149	605767143	/nfs/dbraw/zinc/76/71/43/605767143.db2.gz	VUHMXJKAXXFTNW-SECBINFHSA-N	-1	0	276.252	0.008	20	30		CCEDRM
N#CCCCS(=O)(=O)NC[C@H](NC(=O)[O-])C1CC1	ZINC000833965353	605803721	/nfs/dbraw/zinc/80/37/21/605803721.db2.gz	KEUKBSMGOUDYGF-VIFPVBQESA-N	-1	0	275.330	0.256	20	30		CCEDRM
Cc1nnc(CN[C@@H]2CN(C(=O)[O-])C[C@H]2C#N)s1	ZINC000833927479	605809442	/nfs/dbraw/zinc/80/94/42/605809442.db2.gz	SYDFEIGXAPODFZ-HTQZYQBOSA-N	-1	0	267.314	0.438	20	30		CCEDRM
C[C@H](C#N)OC(=O)C[C@@H]1CSCCN1C(=O)[O-]	ZINC000823648454	605824838	/nfs/dbraw/zinc/82/48/38/605824838.db2.gz	SQFMKGXWGGZCMV-HTQZYQBOSA-N	-1	0	258.299	0.927	20	30		CCEDRM
N#Cc1ccc(C(=O)NC2CCN(C(=O)[O-])CC2)[nH]1	ZINC000833973657	605851389	/nfs/dbraw/zinc/85/13/89/605851389.db2.gz	QEFJZYQKXPYUPC-UHFFFAOYSA-N	-1	0	262.269	0.759	20	30		CCEDRM
N#Cc1ccc(C(=O)NCCN(C(=O)[O-])C2CC2)[nH]1	ZINC000833973391	605863690	/nfs/dbraw/zinc/86/36/90/605863690.db2.gz	OPIDCCTYFNHPPE-UHFFFAOYSA-N	-1	0	262.269	0.759	20	30		CCEDRM
N#C[C@H](C(=O)CCCCNC(=O)[O-])C(=O)N1CCCC1	ZINC000833962048	605909383	/nfs/dbraw/zinc/90/93/83/605909383.db2.gz	XCTLXNUUDDNDRU-SNVBAGLBSA-N	-1	0	281.312	0.756	20	30		CCEDRM
N#C[C@@H](C(=O)CCCCNC(=O)[O-])C(=O)NC1CC1	ZINC000833961110	605909422	/nfs/dbraw/zinc/90/94/22/605909422.db2.gz	OHPFQOKSZIIURG-VIFPVBQESA-N	-1	0	267.285	0.412	20	30		CCEDRM
C[C@@H](CNC(=O)[O-])CNC(=O)NCC(C)(C)C#N	ZINC000833806217	605916443	/nfs/dbraw/zinc/91/64/43/605916443.db2.gz	CWWYZCZUHPASCF-MRVPVSSYSA-N	-1	0	256.306	0.739	20	30		CCEDRM
N#C[C@H]1COCCN1C(=O)[C@H]1CC12CCN(C(=O)[O-])CC2	ZINC000833967212	605935845	/nfs/dbraw/zinc/93/58/45/605935845.db2.gz	QGQNBXJNVLHTKJ-WDEREUQCSA-N	-1	0	293.323	0.517	20	30		CCEDRM
Cn1ccnc(N=NC[C@H]2CCCN(C(=O)[O-])C2)c1=O	ZINC000833952696	606053507	/nfs/dbraw/zinc/05/35/07/606053507.db2.gz	PACIDSXHESAREP-SECBINFHSA-N	-1	0	279.300	0.568	20	30		CCEDRM
C#CCCS(=O)(=O)[N-]C(=O)c1c(C)nn(C)c1Cl	ZINC000810781227	613053307	/nfs/dbraw/zinc/05/33/07/613053307.db2.gz	KIUCERINFGUSNC-UHFFFAOYSA-N	-1	0	289.744	0.465	20	30		CCEDRM
C#CCCS(=O)(=O)[N-]C(=O)c1ccnc(Cl)c1	ZINC000810779688	613053713	/nfs/dbraw/zinc/05/37/13/613053713.db2.gz	XPJAMGKOPVHAKD-UHFFFAOYSA-N	-1	0	272.713	0.818	20	30		CCEDRM
C#CCCS(=O)(=O)[N-]C(=O)COc1ccsc1	ZINC000810781615	613053012	/nfs/dbraw/zinc/05/30/12/613053012.db2.gz	FVJFZWXSOMJDPF-UHFFFAOYSA-N	-1	0	273.335	0.596	20	30		CCEDRM
C#CC[C@H](CCOC)NS(=O)(=O)c1ncc[n-]1	ZINC000867568859	613053028	/nfs/dbraw/zinc/05/30/28/613053028.db2.gz	QJXPDNDVHNCXFT-SECBINFHSA-N	-1	0	257.315	0.116	20	30		CCEDRM
C#CC[C@H](NC(=O)[C@@H](Cc1ccccc1)OC)C(=O)[O-]	ZINC000910050153	613068592	/nfs/dbraw/zinc/06/85/92/613068592.db2.gz	GLYCIARQGDJZBA-QWHCGFSZSA-N	-1	0	275.304	0.837	20	30		CCEDRM
C=C(Cl)C[C@H](NC(=O)[C@@H]1CCCS1(=O)=O)C(=O)[O-]	ZINC000864186788	613390625	/nfs/dbraw/zinc/39/06/25/613390625.db2.gz	XOYROVDWXOZBQE-YUMQZZPRSA-N	-1	0	295.744	0.276	20	30		CCEDRM
C=C(Cl)C[C@H](NC(=O)[C@@H](O)C1CCC1)C(=O)[O-]	ZINC000910265661	613390705	/nfs/dbraw/zinc/39/07/05/613390705.db2.gz	ITYOHBRCUQXXGX-IUCAKERBSA-N	-1	0	261.705	0.859	20	30		CCEDRM
COc1cc(O)c(C=NNCCC(=O)[O-])cc1OC	ZINC000820774642	617207468	/nfs/dbraw/zinc/20/74/68/617207468.db2.gz	CKIRRDFZPFDTJI-UHFFFAOYSA-N	-1	0	268.269	0.808	20	30		CCEDRM
C=C[C@H](C)O[N-]C(=O)[C@H]1CCCCN1S(C)(=O)=O	ZINC000846542942	613488139	/nfs/dbraw/zinc/48/81/39/613488139.db2.gz	JKEYMBNMJWNUOA-VHSXEESVSA-N	-1	0	276.358	0.423	20	30		CCEDRM
CC(C)(C)[S@@](=O)CCNC(=O)[C@@](C)(C#N)CC(=O)[O-]	ZINC000819841933	614043704	/nfs/dbraw/zinc/04/37/04/614043704.db2.gz	HFYHDUFKNXWDEQ-BLVKFPJESA-N	-1	0	288.369	0.654	20	30		CCEDRM
CC(C)CN(CCC#N)C(=O)[C@@H]1CN(C(=O)[O-])CCO1	ZINC000824251582	614078898	/nfs/dbraw/zinc/07/88/98/614078898.db2.gz	KTBLVSGXHQEXPV-NSHDSACASA-N	-1	0	283.328	0.763	20	30		CCEDRM
CC(C)(CNS(=O)(=O)c1ccccc1C#N)NC(=O)[O-]	ZINC000824011335	614113320	/nfs/dbraw/zinc/11/33/20/614113320.db2.gz	HQKKLQXQAHUPLU-UHFFFAOYSA-N	-1	0	297.336	0.883	20	30		CCEDRM
C#CCCCC(=O)N1CC[C@@H](OC)C[C@@H]1C(=O)[O-]	ZINC000909981673	612974712	/nfs/dbraw/zinc/97/47/12/612974712.db2.gz	VUVQATJFQJDXQN-GHMZBOCLSA-N	-1	0	253.298	0.881	20	30		CCEDRM
CSc1cccnc1C(=O)N[C@H]1CCCN(O)C1=O	ZINC000848130025	617281372	/nfs/dbraw/zinc/28/13/72/617281372.db2.gz	FKUGCSKNKSSOAH-QMMMGPOBSA-N	-1	0	281.337	0.914	20	30		CCEDRM
CSc1cccnc1C(=O)N[C@@H]1CCN(O)C1=O	ZINC000820132088	617281396	/nfs/dbraw/zinc/28/13/96/617281396.db2.gz	MPAZQMWCGNFBDD-SSDOTTSWSA-N	-1	0	267.310	0.523	20	30		CCEDRM
C[C@@H](C(=O)N(C)CCC#N)N1CC[C@](F)(C(=O)[O-])C1	ZINC000825972213	617300515	/nfs/dbraw/zinc/30/05/15/617300515.db2.gz	MIZKMCLLVUHZBY-JOYOIKCWSA-N	-1	0	271.292	0.246	20	30		CCEDRM
C#CC(C)(C)NC(=O)C[C@@H]1CN(C(=O)[O-])CCO1	ZINC000823440979	612945946	/nfs/dbraw/zinc/94/59/46/612945946.db2.gz	OMAXSYPTYPDOHJ-SECBINFHSA-N	-1	0	254.286	0.283	20	30		CCEDRM
C#CCC1(C(=O)Nn2c(=O)[n-][nH]c2=O)CCCCC1	ZINC000854610447	612968367	/nfs/dbraw/zinc/96/83/67/612968367.db2.gz	DJESHXYPFDIKTJ-UHFFFAOYSA-N	-1	0	264.285	0.733	20	30		CCEDRM
C#CCCCCC(=O)N1C[C@@H](C)O[C@H](C(=O)[O-])C1	ZINC000910226994	612975399	/nfs/dbraw/zinc/97/53/99/612975399.db2.gz	AXLDRPDOBUDGRU-MNOVXSKESA-N	-1	0	253.298	0.881	20	30		CCEDRM
C#CCCCCNC(=O)N[C@@H](C(=O)[O-])c1ccn(C)n1	ZINC000797725253	612977910	/nfs/dbraw/zinc/97/79/10/612977910.db2.gz	WWOFEKPWOTUZDL-LLVKDONJSA-N	-1	0	278.312	0.649	20	30		CCEDRM
C#CCOCCC(=O)[N-]S(=O)(=O)CCCC(C)(F)F	ZINC000893805309	612980213	/nfs/dbraw/zinc/98/02/13/612980213.db2.gz	IHOFDHLDOBJJAD-UHFFFAOYSA-N	-1	0	297.323	0.908	20	30		CCEDRM
C#CCOCCC(=O)[N-]S(=O)(=O)C1(Cl)CC1	ZINC000893239383	612980216	/nfs/dbraw/zinc/98/02/16/612980216.db2.gz	GYNINTNWUQOVEJ-UHFFFAOYSA-N	-1	0	265.718	0.201	20	30		CCEDRM
C#CCCCNC(=O)C(=O)Nc1ccc(C(=O)[O-])c(F)c1	ZINC000825605861	612980943	/nfs/dbraw/zinc/98/09/43/612980943.db2.gz	UWOGWRSVAASINV-UHFFFAOYSA-N	-1	0	292.266	0.992	20	30		CCEDRM
C#CCCCNC(=O)N1CCN(C(=O)[O-])[C@H](C)C1	ZINC000823444518	612981555	/nfs/dbraw/zinc/98/15/55/612981555.db2.gz	LKJFJLVFXYKWGJ-SNVBAGLBSA-N	-1	0	253.302	0.794	20	30		CCEDRM
C#CCCCNC(=O)N1CC[C@H](OC)C[C@H]1C(=O)[O-]	ZINC000909027447	612981566	/nfs/dbraw/zinc/98/15/66/612981566.db2.gz	JQJUZVBERCOHGM-QWRGUYRKSA-N	-1	0	268.313	0.673	20	30		CCEDRM
C#CCCCNC(=O)N1C[C@@H]2COC[C@]2(C(=O)[O-])C1	ZINC000851650037	612981848	/nfs/dbraw/zinc/98/18/48/612981848.db2.gz	BLPWJUJPOGQZLA-ZWNOBZJWSA-N	-1	0	266.297	0.142	20	30		CCEDRM
C#CCCCNC(=O)N[C@H](C[C@@H]1CCCOC1)C(=O)[O-]	ZINC000909028703	612982192	/nfs/dbraw/zinc/98/21/92/612982192.db2.gz	VBKCXXNUIUYARX-NWDGAFQWSA-N	-1	0	282.340	0.969	20	30		CCEDRM
C#CCCCNC(=O)N[C@H](C[C@H]1CCCO1)C(=O)[O-]	ZINC000909026751	612982368	/nfs/dbraw/zinc/98/23/68/612982368.db2.gz	AQDQTZOBBOGRBJ-GHMZBOCLSA-N	-1	0	268.313	0.721	20	30		CCEDRM
C#CCOCCNC(=O)C(=O)Nc1sccc1C(=O)[O-]	ZINC000833366397	612985362	/nfs/dbraw/zinc/98/53/62/612985362.db2.gz	VFJMFNKJOQZZSS-UHFFFAOYSA-N	-1	0	296.304	0.151	20	30		CCEDRM
C#CCOCCNC(=O)N1CCC(CCC(=O)[O-])CC1	ZINC000851651664	612985779	/nfs/dbraw/zinc/98/57/79/612985779.db2.gz	PTGYBIQVJMLJJT-UHFFFAOYSA-N	-1	0	282.340	0.923	20	30		CCEDRM
C#CCOCCOC(=O)[C@@H]1CCCN(C(=O)[O-])C1	ZINC000823463873	612990625	/nfs/dbraw/zinc/99/06/25/612990625.db2.gz	XCXBSBIKWNWEOU-SNVBAGLBSA-N	-1	0	255.270	0.569	20	30		CCEDRM
C#CCO[N-]C(=O)CNC(=O)c1ccc(OC)cc1	ZINC000812782835	612992232	/nfs/dbraw/zinc/99/22/32/612992232.db2.gz	LCYUCXWYASIQRJ-UHFFFAOYSA-N	-1	0	262.265	0.106	20	30		CCEDRM
C#CCO[N-]C(=O)[C@]1(C)C[C@H](O)CN1C(=O)OC(C)(C)C	ZINC000912450377	612993177	/nfs/dbraw/zinc/99/31/77/612993177.db2.gz	PXFCDYRWHOAJPA-HZMBPMFUSA-N	-1	0	298.339	0.428	20	30		CCEDRM
C#CCONC(=O)c1ccc2c(c1)[n-]c(=S)n(C)c2=O	ZINC000812783476	612993377	/nfs/dbraw/zinc/99/33/77/612993377.db2.gz	QWCHRHVOILLGTF-UHFFFAOYSA-N	-1	0	289.316	0.517	20	30		CCEDRM
C#CCO[C@@H](C)C(=O)NCc1ncc(C(=O)[O-])s1	ZINC000910817134	612996684	/nfs/dbraw/zinc/99/66/84/612996684.db2.gz	SIHRJMOATCHMKP-ZETCQYMHSA-N	-1	0	268.294	0.496	20	30		CCEDRM
C#CCO[C@H](C)C(=O)N1C[C@H](OC)C[C@@]1(C)C(=O)[O-]	ZINC000910268454	613000986	/nfs/dbraw/zinc/00/09/86/613000986.db2.gz	WMAVHXCQUZHHPL-BREBYQMCSA-N	-1	0	269.297	0.115	20	30		CCEDRM
C#CCO[C@H](C)C(=O)NC[C@@H](CC(=O)[O-])C1CC1	ZINC000909969664	613001607	/nfs/dbraw/zinc/00/16/07/613001607.db2.gz	UEYHMFKRQWCHJP-MWLCHTKSSA-N	-1	0	253.298	0.642	20	30		CCEDRM
C#CCOc1ccc(NC(=O)C(=O)N[C@H](C)C(=O)[O-])cc1	ZINC000817675389	613007044	/nfs/dbraw/zinc/00/70/44/613007044.db2.gz	VVBOIWYBSGSRGP-SECBINFHSA-N	-1	0	290.275	0.226	20	30		CCEDRM
C#CCCN1CCN(C(=O)[C@H]2CC[C@@H](NC(=O)[O-])C2)CC1	ZINC000823444503	613010529	/nfs/dbraw/zinc/01/05/29/613010529.db2.gz	KUHMNAIQHCAUPM-QWHCGFSZSA-N	-1	0	293.367	0.590	20	30		CCEDRM
C#CC[C@@H](CO)NC(=O)C12CCC(C(=O)[O-])(CC1)C2	ZINC000911394674	613023358	/nfs/dbraw/zinc/02/33/58/613023358.db2.gz	CHNMIPMHEJMUHZ-FNBIGBAISA-N	-1	0	265.309	0.522	20	30		CCEDRM
C#CC[C@@H](NC(=O)C[C@@H]1Cc2ccccc2O1)C(=O)[O-]	ZINC000910049291	613040035	/nfs/dbraw/zinc/04/00/35/613040035.db2.gz	VDWFHFZKBVSVDF-NWDGAFQWSA-N	-1	0	273.288	0.973	20	30		CCEDRM
C#CC[C@@H](NC(=O)Cc1ccc2c(c1)OCCO2)C(=O)[O-]	ZINC000910053302	613040382	/nfs/dbraw/zinc/04/03/82/613040382.db2.gz	QPIHSZAOIHTGGC-LLVKDONJSA-N	-1	0	289.287	0.593	20	30		CCEDRM
C#CCCOc1ccc(C(=O)[N-]S(C)(=O)=O)cc1	ZINC000835031248	613050983	/nfs/dbraw/zinc/05/09/83/613050983.db2.gz	OEIRICCVXWXAHT-UHFFFAOYSA-N	-1	0	267.306	0.778	20	30		CCEDRM
C#CCCS(=O)(=O)[N-]C(=O)[C@@H]1CCC[C@H]2C[C@H]21	ZINC000850999778	613053125	/nfs/dbraw/zinc/05/31/25/613053125.db2.gz	IZEIHMWTXDPJFS-HBNTYKKESA-N	-1	0	255.339	0.892	20	30		CCEDRM
C#CCCS(=O)(=O)[N-]C(=O)[C@@H]1CCC(=O)[C@H](C)C1	ZINC000810779674	613053213	/nfs/dbraw/zinc/05/32/13/613053213.db2.gz	XCFJZSKHUMPOMJ-NXEZZACHSA-N	-1	0	271.338	0.461	20	30		CCEDRM
C#CCCS(=O)(=O)[N-]C(=O)c1cc(C)[nH]c(=O)c1	ZINC000810782831	613053659	/nfs/dbraw/zinc/05/36/59/613053659.db2.gz	YZUYTVOCDGYBHT-UHFFFAOYSA-N	-1	0	268.294	0.179	20	30		CCEDRM
C#CCCS(=O)(=O)[N-]C(=O)c1occ2c1CCC2	ZINC000810783237	613053950	/nfs/dbraw/zinc/05/39/50/613053950.db2.gz	JWTVWOHNNOLVCR-UHFFFAOYSA-N	-1	0	267.306	0.851	20	30		CCEDRM
C#CC[C@H](CO)NC(=O)c1ccc([N+](=O)[O-])c([O-])c1	ZINC000816670430	613057783	/nfs/dbraw/zinc/05/77/83/613057783.db2.gz	VPAQNKFFIXJIOB-SECBINFHSA-N	-1	0	264.237	0.414	20	30		CCEDRM
C#CCN(C(=O)COCCNC(=O)[O-])C1CCCC1	ZINC000823450657	613066235	/nfs/dbraw/zinc/06/62/35/613066235.db2.gz	FLPPPRCBEJIHDJ-UHFFFAOYSA-N	-1	0	268.313	0.675	20	30		CCEDRM
C#CC[C@H](NC(=O)Cc1cc(C2CC2)no1)C(=O)[O-]	ZINC000910049071	613068092	/nfs/dbraw/zinc/06/80/92/613068092.db2.gz	RZOQEUGOMOFRGT-JTQLQIEISA-N	-1	0	262.265	0.687	20	30		CCEDRM
C#CC[C@H](NC(=O)[C@@H](OCC)[C@H]1CCOC1)C(=O)[O-]	ZINC000910049208	613068695	/nfs/dbraw/zinc/06/86/95/613068695.db2.gz	TXNBHWNMMOVWIW-DCAQKATOSA-N	-1	0	269.297	0.021	20	30		CCEDRM
C#CC[C@H](NC(=O)[C@@](C)(C=C)CCOC)C(=O)[O-]	ZINC000910048193	613069102	/nfs/dbraw/zinc/06/91/02/613069102.db2.gz	GRIDYXNSWRCPDU-GWCFXTLKSA-N	-1	0	253.298	0.808	20	30		CCEDRM
C#CC[C@H](NC(=O)[C@@H]1CCc2nc[nH]c2C1)C(=O)[O-]	ZINC000910049052	613069105	/nfs/dbraw/zinc/06/91/05/613069105.db2.gz	RYOPHTFZAAGSHO-SCZZXKLOSA-N	-1	0	261.281	0.107	20	30		CCEDRM
C#CC[C@H](NC(=O)[C@H](OCC)C1CCOCC1)C(=O)[O-]	ZINC000910049011	613069380	/nfs/dbraw/zinc/06/93/80/613069380.db2.gz	QZNBWMNOLNAFBY-NWDGAFQWSA-N	-1	0	283.324	0.411	20	30		CCEDRM
C#CC[C@H](NC(=O)[C@H]1CCCCN1C(=O)CCC)C(=O)[O-]	ZINC000910052734	613069467	/nfs/dbraw/zinc/06/94/67/613069467.db2.gz	HQJJEZIIELMSHB-NWDGAFQWSA-N	-1	0	294.351	0.760	20	30		CCEDRM
C#CC[C@H](NC(=O)[C@H](O)C1CCCCC1)C(=O)[O-]	ZINC000910052301	613069491	/nfs/dbraw/zinc/06/94/91/613069491.db2.gz	SSGFMBPIUINSGN-WDEREUQCSA-N	-1	0	253.298	0.520	20	30		CCEDRM
C#CC[C@H](NC(=O)[C@H]1CCc2nccn2C1)C(=O)[O-]	ZINC000910048041	613069733	/nfs/dbraw/zinc/06/97/33/613069733.db2.gz	CBOSAQXZOYOLIO-UWVGGRQHSA-N	-1	0	261.281	0.038	20	30		CCEDRM
C#CCN(C(=O)c1ccc([N-]S(C)(=O)=O)nc1)C(C)C	ZINC000928622851	613069983	/nfs/dbraw/zinc/06/99/83/613069983.db2.gz	KKBKRXNBQBCFRL-UHFFFAOYSA-N	-1	0	295.364	0.937	20	30		CCEDRM
C#CC[C@H](NC(=O)c1ccnn1C1CCOCC1)C(=O)[O-]	ZINC000910050854	613070336	/nfs/dbraw/zinc/07/03/36/613070336.db2.gz	OVTQBFKCILBDSC-NSHDSACASA-N	-1	0	291.307	0.441	20	30		CCEDRM
C#C[C@@H](C)N(C)S(=O)(=O)c1cccc(CC(=O)[O-])c1	ZINC000871950930	613079790	/nfs/dbraw/zinc/07/97/90/613079790.db2.gz	KVIIUACADFPWPH-SNVBAGLBSA-N	-1	0	281.333	0.956	20	30		CCEDRM
C#C[C@@H](NC(=O)c1cc(C(=O)[O-])ccn1)[C@H]1CCCO1	ZINC000911577472	613098825	/nfs/dbraw/zinc/09/88/25/613098825.db2.gz	CJUJZLASIUVGFH-ZYHUDNBSSA-N	-1	0	274.276	0.690	20	30		CCEDRM
C#CCN(CC#C)S(=O)(=O)c1cccc(C)c1C(=O)[O-]	ZINC000825608616	613099361	/nfs/dbraw/zinc/09/93/61/613099361.db2.gz	GGELKEWPXPWIJK-UHFFFAOYSA-N	-1	0	291.328	0.950	20	30		CCEDRM
C#C[C@@H](NC(=O)c1csc(C(=O)[O-])n1)[C@H]1CCCO1	ZINC000911579746	613099428	/nfs/dbraw/zinc/09/94/28/613099428.db2.gz	PLFRDAITJBRRFY-VXNVDRBHSA-N	-1	0	280.305	0.752	20	30		CCEDRM
C#CCN(CC#CC)C(=O)[C@@H](C)O[C@H](C)C(=O)[O-]	ZINC000872935834	613100076	/nfs/dbraw/zinc/10/00/76/613100076.db2.gz	UDJUABLVBOVYNK-GHMZBOCLSA-N	-1	0	251.282	0.350	20	30		CCEDRM
C#C[C@@H](NS(=O)(=O)c1ncc[n-]1)C1CCOCC1	ZINC000867529310	613100693	/nfs/dbraw/zinc/10/06/93/613100693.db2.gz	GNAWZTQLUZGAHL-SNVBAGLBSA-N	-1	0	269.326	0.116	20	30		CCEDRM
C#CCN(CC(=O)[O-])S(=O)(=O)C[C@@H]1CCCC1(F)F	ZINC000849219078	613103598	/nfs/dbraw/zinc/10/35/98/613103598.db2.gz	NFDOBTUDWAKFTJ-VIFPVBQESA-N	-1	0	295.307	0.771	20	30		CCEDRM
C#CCN(CC)CC(=O)N[C@H](CC(C)C)C(=O)[O-]	ZINC000825614047	613106675	/nfs/dbraw/zinc/10/66/75/613106675.db2.gz	BRPXOULHRRPWFT-LLVKDONJSA-N	-1	0	254.330	0.557	20	30		CCEDRM
C#C[C@H](CO)NC(=O)[C@]1(C(=O)[O-])C[C@@H]1c1ccccc1	ZINC000907840405	613128882	/nfs/dbraw/zinc/12/88/82/613128882.db2.gz	BVUIVMAETICNRS-JMSVASOKSA-N	-1	0	273.288	0.355	20	30		CCEDRM
C#C[C@H](NC(=O)N1CC[C@H](C(=O)[O-])[C@@H](C)C1)[C@H]1CCCO1	ZINC000861455716	613137391	/nfs/dbraw/zinc/13/73/91/613137391.db2.gz	SJWHJVKDGVYHKI-ZDEQEGDKSA-N	-1	0	294.351	0.919	20	30		CCEDRM
C#C[C@H](NC(=O)NC[C@H](C)C(=O)[O-])[C@@H]1CCCO1	ZINC000848583300	613140888	/nfs/dbraw/zinc/14/08/88/613140888.db2.gz	WTNRFOBDVPKVKS-GUBZILKMSA-N	-1	0	254.286	0.187	20	30		CCEDRM
C#C[C@H]1COCCN1C(=O)c1ccc2oc(=O)nc-2[n-]1	ZINC000854917037	613162244	/nfs/dbraw/zinc/16/22/44/613162244.db2.gz	KVSDJNNVIXWPFK-QMMMGPOBSA-N	-1	0	273.248	0.403	20	30		CCEDRM
C#Cc1ccc(C(=O)N2CCC([C@H](O)C(=O)[O-])CC2)nc1	ZINC000833367928	613167992	/nfs/dbraw/zinc/16/79/92/613167992.db2.gz	BICDKTBSDVCYMS-ZDUSSCGKSA-N	-1	0	288.303	0.361	20	30		CCEDRM
C#Cc1ccc(C(=O)N2CCC[C@H](c3n[nH]c(=O)[n-]3)C2)nc1	ZINC000843878604	613169600	/nfs/dbraw/zinc/16/96/00/613169600.db2.gz	OJBZFQIQKAIVLV-NSHDSACASA-N	-1	0	297.318	0.906	20	30		CCEDRM
C#Cc1ccc(S(=O)(=O)NCC(=O)[N-]OCC)cc1	ZINC000907263865	613197406	/nfs/dbraw/zinc/19/74/06/613197406.db2.gz	BGHQVERDCTWVJZ-UHFFFAOYSA-N	-1	0	282.321	0.014	20	30		CCEDRM
C#CCN1CCN(C(=O)c2ccc(C(=O)[O-])c(F)c2)CC1	ZINC000825619085	613208349	/nfs/dbraw/zinc/20/83/49/613208349.db2.gz	JXMQRFLPHBOOIK-UHFFFAOYSA-N	-1	0	290.294	0.915	20	30		CCEDRM
C#CCN1CCN(C(=O)c2cncc(C(=O)[O-])c2)CC1	ZINC000833364181	613208881	/nfs/dbraw/zinc/20/88/81/613208881.db2.gz	GPKLEBGQJRORCT-UHFFFAOYSA-N	-1	0	273.292	0.171	20	30		CCEDRM
C#Cc1cncc(C(=O)N2C[C@@H](OC)C[C@@]2(C)C(=O)[O-])c1	ZINC000910261628	613215443	/nfs/dbraw/zinc/21/54/43/613215443.db2.gz	DVVXMBCMFPXIMX-WFASDCNBSA-N	-1	0	288.303	0.767	20	30		CCEDRM
C#CCN1CC[C@@H](C)[C@@H](NC(=O)c2[nH]nc(C)c2[O-])C1	ZINC000965911436	613217170	/nfs/dbraw/zinc/21/71/70/613217170.db2.gz	SUMLVEWFNGNDIQ-KOLCDFICSA-N	-1	0	276.340	0.497	20	30		CCEDRM
C#Cc1cncc(C(=O)N[C@H]2C[C@@H](C(=O)[O-])[C@@H]3C[C@@H]32)c1	ZINC000923193268	613222386	/nfs/dbraw/zinc/22/23/86/613222386.db2.gz	LGHHDFKMDOQILY-XQHKEYJVSA-N	-1	0	270.288	0.902	20	30		CCEDRM
C/C(=C\c1ccncc1)C(=O)[N-]S(=O)(=O)CCC#N	ZINC000847706827	613267018	/nfs/dbraw/zinc/26/70/18/613267018.db2.gz	AIXPTBRDZZOQSD-MDZDMXLPSA-N	-1	0	279.321	0.845	20	30		CCEDRM
C=C(C)CN(C)Cn1nc(C(=O)[O-])c2c(C)onc2c1=O	ZINC000833368742	613282584	/nfs/dbraw/zinc/28/25/84/613282584.db2.gz	SBGTUKBCTXRODX-UHFFFAOYSA-N	-1	0	292.295	0.857	20	30		CCEDRM
C#CCNC(=O)COC(=O)[C@@H]1CCC[C@@H](C(=O)[O-])C1	ZINC000825620122	613331920	/nfs/dbraw/zinc/33/19/20/613331920.db2.gz	WLSVWLLYNCZHBL-NXEZZACHSA-N	-1	0	267.281	0.170	20	30		CCEDRM
C=C(C)CO[N-]C(=O)Cc1nnn(C(C)(C)C)n1	ZINC000855026974	613352688	/nfs/dbraw/zinc/35/26/88/613352688.db2.gz	VDDJSSKOFMVUNN-UHFFFAOYSA-N	-1	0	253.306	0.595	20	30		CCEDRM
C=C(C)CO[N-]C(=O)[C@H](C)N1C(=O)NC2(CCCC2)C1=O	ZINC000846539880	613353829	/nfs/dbraw/zinc/35/38/29/613353829.db2.gz	PEBQKZIBVCYLOH-JTQLQIEISA-N	-1	0	295.339	0.863	20	30		CCEDRM
C=C(C)CO[N-]C(=O)[C@H]1CC(c2cn(C)nc2C)=NO1	ZINC000824028719	613353866	/nfs/dbraw/zinc/35/38/66/613353866.db2.gz	QNPAFGSQGUBSQN-GFCCVEGCSA-N	-1	0	278.312	0.845	20	30		CCEDRM
C=C(C)C[C@H](CO)NC(=O)Cc1cc(=O)n(CC(C)C)[n-]1	ZINC000829530140	613357308	/nfs/dbraw/zinc/35/73/08/613357308.db2.gz	OMOBHKGVDUGMKB-CYBMUJFWSA-N	-1	0	295.383	0.818	20	30		CCEDRM
C=C(C)C[C@H](NC(=O)NCCn1ccnc1)C(=O)[O-]	ZINC000908752203	613358773	/nfs/dbraw/zinc/35/87/73/613358773.db2.gz	CBBODMMZHBEFGY-JTQLQIEISA-N	-1	0	266.301	0.602	20	30		CCEDRM
C=C(C)C[C@H](NC(=O)NCc1cc(C)nn1C)C(=O)[O-]	ZINC000908961760	613358806	/nfs/dbraw/zinc/35/88/06/613358806.db2.gz	DYAUQLKLWICTJV-NSHDSACASA-N	-1	0	280.328	0.947	20	30		CCEDRM
C=C(C)C[C@H](NC(=O)[C@@H]1CCn2cncc2C1)C(=O)[O-]	ZINC000910291761	613358993	/nfs/dbraw/zinc/35/89/93/613358993.db2.gz	AUKCNQZFQQWCQM-PWSUYJOCSA-N	-1	0	277.324	0.981	20	30		CCEDRM
C=C(C)C[C@H](NC(=O)[C@H]1CCc2cncn2C1)C(=O)[O-]	ZINC000910294363	613359018	/nfs/dbraw/zinc/35/90/18/613359018.db2.gz	QDHSMCYJVLPTSJ-JQWIXIFHSA-N	-1	0	277.324	0.981	20	30		CCEDRM
C=C(C)C[C@H](NC(=O)c1cn(CCOC)nc1C)C(=O)[O-]	ZINC000910293507	613359217	/nfs/dbraw/zinc/35/92/17/613359217.db2.gz	JITQLRFXNBACMI-LBPRGKRZSA-N	-1	0	295.339	0.987	20	30		CCEDRM
C=C(C)[C@@H](CC(=O)N1CCNC(=O)[C@H]1CC(=O)[O-])OCC	ZINC000833366767	613360185	/nfs/dbraw/zinc/36/01/85/613360185.db2.gz	CVIGUWAAFPJOFR-GHMZBOCLSA-N	-1	0	298.339	0.159	20	30		CCEDRM
C=C(C)[C@@H](CC(=O)N(CCOC)CC(=O)[O-])OCC	ZINC000908849536	613360246	/nfs/dbraw/zinc/36/02/46/613360246.db2.gz	OTXYBAICGRACCX-LLVKDONJSA-N	-1	0	273.329	0.917	20	30		CCEDRM
C=C(C)[C@H](CC(=O)N[C@H](CCOC)C(=O)[O-])OCC	ZINC000909627975	613362276	/nfs/dbraw/zinc/36/22/76/613362276.db2.gz	WVQSSSIECXJWIK-MNOVXSKESA-N	-1	0	273.329	0.964	20	30		CCEDRM
C=C(C)[C@H]1OCC[C@H]1CNC(=O)N=c1nn[n-]n1CC	ZINC000888326667	613363108	/nfs/dbraw/zinc/36/31/08/613363108.db2.gz	CWYCXYXFLDOVCP-VHSXEESVSA-N	-1	0	280.332	0.218	20	30		CCEDRM
C=C(Cl)CNC(=O)N1CCO[C@H]([C@H](C)NC(=O)[O-])C1	ZINC000823486053	613383612	/nfs/dbraw/zinc/38/36/12/613383612.db2.gz	MYYUMQGABDEDKS-IUCAKERBSA-N	-1	0	291.735	0.805	20	30		CCEDRM
C=C(Cl)C[C@@H](NC(=O)CCn1cncn1)C(=O)[O-]	ZINC000864185667	613388397	/nfs/dbraw/zinc/38/83/97/613388397.db2.gz	YXHWREXWXCTYSL-MRVPVSSYSA-N	-1	0	272.692	0.380	20	30		CCEDRM
C=C(Cl)C[C@@H](NS(=O)(=O)C[C@@H]1CCOC1)C(=O)[O-]	ZINC000863420167	613388686	/nfs/dbraw/zinc/38/86/86/613388686.db2.gz	KRBLTBZDYIJCIQ-RKDXNWHRSA-N	-1	0	297.760	0.538	20	30		CCEDRM
C=C(Cl)C[C@H](NC(=O)[C@@H](OC)[C@H]1CCOC1)C(=O)[O-]	ZINC000864186589	613390659	/nfs/dbraw/zinc/39/06/59/613390659.db2.gz	SOWMEKYWQJDBEX-GUBZILKMSA-N	-1	0	291.731	0.750	20	30		CCEDRM
C=C(Cl)C[C@H](NC(=O)c1cnn2c1OCCC2)C(=O)[O-]	ZINC000910265225	613390775	/nfs/dbraw/zinc/39/07/75/613390775.db2.gz	GJWMTUBJEIJSDB-VIFPVBQESA-N	-1	0	299.714	0.991	20	30		CCEDRM
C=CCS(=O)(=O)[N-]C(=O)c1cnn(CCOC)c1C	ZINC000870259656	613394833	/nfs/dbraw/zinc/39/48/33/613394833.db2.gz	VOWKXOHAUHCBOC-UHFFFAOYSA-N	-1	0	287.341	0.084	20	30		CCEDRM
C=C1CCC(C(=O)NCC(=O)NCC(=O)[O-])CC1	ZINC000910333955	613407798	/nfs/dbraw/zinc/40/77/98/613407798.db2.gz	JXMGTMPHVUBWSA-UHFFFAOYSA-N	-1	0	254.286	0.050	20	30		CCEDRM
C=C1CCC(C(=O)N[C@@H](C)C(=O)N[C@H](C)C(=O)[O-])CC1	ZINC000910743997	613409325	/nfs/dbraw/zinc/40/93/25/613409325.db2.gz	SQIDUQHDCGTPFI-VHSXEESVSA-N	-1	0	282.340	0.827	20	30		CCEDRM
C=C1CCN(C(=O)[C@H]2CN(C(=O)[O-])CCO2)CC1	ZINC000823486486	613415012	/nfs/dbraw/zinc/41/50/12/613415012.db2.gz	XEHZWCAEUCNGGV-SNVBAGLBSA-N	-1	0	254.286	0.544	20	30		CCEDRM
C=CC[C@H](NC(=O)CCc1nnn[n-]1)c1ccncc1	ZINC000865892147	613418767	/nfs/dbraw/zinc/41/87/67/613418767.db2.gz	XWYYIWKVGMCBGT-NSHDSACASA-N	-1	0	272.312	0.961	20	30		CCEDRM
C=CCn1cc(C([O-])=C(C#N)C(=O)NC(C)C)nn1	ZINC000842690556	613433897	/nfs/dbraw/zinc/43/38/97/613433897.db2.gz	XSEWZGNTGFPITO-VIFPVBQESA-N	-1	0	261.285	0.311	20	30		CCEDRM
C=CCn1nnn(CN2C[C@H](C(=O)[O-])[C@H](C)C2)c1=S	ZINC000825711070	613439730	/nfs/dbraw/zinc/43/97/30/613439730.db2.gz	NNPWROBPMCHDTO-BDAKNGLRSA-N	-1	0	283.357	0.605	20	30		CCEDRM
C=C[C@@H](C)O[N-]C(=O)C(F)(F)C(=O)N1CCOCC1	ZINC000844780333	613443219	/nfs/dbraw/zinc/44/32/19/613443219.db2.gz	OVMYMHQFJMOSJL-MRVPVSSYSA-N	-1	0	278.255	0.103	20	30		CCEDRM
C=C[C@@H](C)ONC(=O)C[C@@H](O)CNC(=O)OC(C)(C)C	ZINC000869154818	613443512	/nfs/dbraw/zinc/44/35/12/613443512.db2.gz	ZBMOXDGASVBXEN-NXEZZACHSA-N	-1	0	288.344	0.884	20	30		CCEDRM
C=C[C@@H](C)O[N-]C(=O)Cn1nnc2c1CCCC2	ZINC000848246035	613443968	/nfs/dbraw/zinc/44/39/68/613443968.db2.gz	URWXDZBPWJVDQJ-SECBINFHSA-N	-1	0	250.302	0.779	20	30		CCEDRM
C=CC(C)(C)NS(=O)(=O)c1c[nH]c(C(=O)[O-])c1	ZINC000903556891	613449258	/nfs/dbraw/zinc/44/92/58/613449258.db2.gz	LDWGKULECPNEFW-UHFFFAOYSA-N	-1	0	258.299	0.956	20	30		CCEDRM
C=C[C@@H](O)C(=O)N(CCC(=O)[O-])Cc1ccncc1	ZINC000911524054	613449326	/nfs/dbraw/zinc/44/93/26/613449326.db2.gz	IPWUHDVCPGHAFY-LLVKDONJSA-N	-1	0	264.281	0.432	20	30		CCEDRM
C=CC1(S(=O)(=O)[N-]C(=O)C2(C(=O)OCC)CC2)CC1	ZINC000870835582	613450393	/nfs/dbraw/zinc/45/03/93/613450393.db2.gz	PXJBRCRFYKZANK-UHFFFAOYSA-N	-1	0	287.337	0.494	20	30		CCEDRM
C=CC1(S(=O)(=O)[N-]C(=O)Cc2cnn(C)c2C)CC1	ZINC000870837806	613450833	/nfs/dbraw/zinc/45/08/33/613450833.db2.gz	CGMUOGXJBVPEMN-UHFFFAOYSA-N	-1	0	283.353	0.436	20	30		CCEDRM
C=CC1(S(=O)(=O)[N-]C(=O)[C@@H](C)Cc2cnn(C)c2)CC1	ZINC000870837517	613450894	/nfs/dbraw/zinc/45/08/94/613450894.db2.gz	PCTFOTVVFDZDTR-JTQLQIEISA-N	-1	0	297.380	0.763	20	30		CCEDRM
C=CC1(S(=O)(=O)[N-]C(=O)c2ccn(C)n2)CC1	ZINC000870837978	613451948	/nfs/dbraw/zinc/45/19/48/613451948.db2.gz	HDAHNAAKSAKUGC-UHFFFAOYSA-N	-1	0	255.299	0.198	20	30		CCEDRM
C=CC1(S(=O)(=O)[N-]C(=O)c2noc3c2COCC3)CC1	ZINC000870839657	613452359	/nfs/dbraw/zinc/45/23/59/613452359.db2.gz	QSSFXKVKQLDLMJ-UHFFFAOYSA-N	-1	0	298.320	0.526	20	30		CCEDRM
C=CCC(CC=C)C(=O)[N-]S(=O)(=O)CCOC	ZINC000151512530	613453593	/nfs/dbraw/zinc/45/35/93/613453593.db2.gz	UQULBJBJTRCUDF-UHFFFAOYSA-N	-1	0	261.343	0.847	20	30		CCEDRM
C=CCC(F)(F)C(=O)[N-]S(=O)(=O)[C@H](C)COC	ZINC000815948567	613454950	/nfs/dbraw/zinc/45/49/50/613454950.db2.gz	NZCILWYJOXWLDJ-SSDOTTSWSA-N	-1	0	271.285	0.679	20	30		CCEDRM
C=CCC1(NC(=O)[C@@H](OC)C(=O)[O-])CCOCC1	ZINC000902060908	613457342	/nfs/dbraw/zinc/45/73/42/613457342.db2.gz	DMIMMSVRJIXHHN-SECBINFHSA-N	-1	0	257.286	0.328	20	30		CCEDRM
C=C[C@@H]1OCCC[C@H]1C(=O)N[C@H]1CC[C@H]1C(=O)[O-]	ZINC000923140454	613458841	/nfs/dbraw/zinc/45/88/41/613458841.db2.gz	WUFIIZSUFKJGFU-ZNSHCXBVSA-N	-1	0	253.298	0.947	20	30		CCEDRM
C=CCC1(S(=O)(=O)[N-]C(=O)c2cncc(OC)n2)CC1	ZINC000810983498	613461374	/nfs/dbraw/zinc/46/13/74/613461374.db2.gz	BYUQTKCREVKAKN-UHFFFAOYSA-N	-1	0	297.336	0.654	20	30		CCEDRM
C=C[C@@H]1OCCC[C@H]1[N-]S(=O)(=O)N=[S@@](C)(=O)CC	ZINC000867356851	613461399	/nfs/dbraw/zinc/46/13/99/613461399.db2.gz	XBJGKOXLEZFUSC-KEYDSSBGSA-N	-1	0	296.414	0.672	20	30		CCEDRM
C=CCCC(=O)N1CCO[C@H]([C@H](C)NC(=O)[O-])C1	ZINC000823490924	613462665	/nfs/dbraw/zinc/46/26/65/613462665.db2.gz	NVPVFQQYORSBRU-UWVGGRQHSA-N	-1	0	256.302	0.836	20	30		CCEDRM
C=CCCC(=O)[N-]S(=O)(=O)c1cc(C(=O)OC)co1	ZINC000845880318	613463089	/nfs/dbraw/zinc/46/30/89/613463089.db2.gz	NNBAXPBASNULNG-UHFFFAOYSA-N	-1	0	287.293	0.837	20	30		CCEDRM
C=C[C@@H]1OCC[C@H]1C(=O)[N-]S(=O)(=O)CC#CC	ZINC000835372045	613465742	/nfs/dbraw/zinc/46/57/42/613465742.db2.gz	OYSXFRBYPGKJLM-ZJUUUORDSA-N	-1	0	257.311	0.047	20	30		CCEDRM
C=CCCCNC(=O)C(=O)N1C[C@@H](C(=O)[O-])[C@H](C2CC2)C1	ZINC000911043020	613467308	/nfs/dbraw/zinc/46/73/08/613467308.db2.gz	RFFHIUVHHUWASB-NWDGAFQWSA-N	-1	0	294.351	0.638	20	30		CCEDRM
C=C[C@@H]1OCC[C@H]1CNC(=O)N1CCC[C@H]1C(=O)[O-]	ZINC000909240233	613468965	/nfs/dbraw/zinc/46/89/65/613468965.db2.gz	ZJVVLYCCPJVRAQ-DCAQKATOSA-N	-1	0	268.313	0.836	20	30		CCEDRM
C=C[C@@H]1OCC[C@H]1CNC(=O)N[C@H](CC)C(=O)[O-]	ZINC000909237725	613469839	/nfs/dbraw/zinc/46/98/39/613469839.db2.gz	KMHVBEGHWRZLBO-AEJSXWLSSA-N	-1	0	256.302	0.740	20	30		CCEDRM
C=CCCC[C@@H](NC(=O)Cc1c[nH]cn1)C(=O)[O-]	ZINC000910914037	613470692	/nfs/dbraw/zinc/47/06/92/613470692.db2.gz	BUZQRVPGPWHLEN-SNVBAGLBSA-N	-1	0	251.286	0.878	20	30		CCEDRM
C=CCCC[C@@H](NC(=O)[C@@H]1CN(CC)CCO1)C(=O)[O-]	ZINC000910916683	613470935	/nfs/dbraw/zinc/47/09/35/613470935.db2.gz	ICRAMMRPKGHION-NEPJUHHUSA-N	-1	0	284.356	0.633	20	30		CCEDRM
C=C[C@@](C)(CCOC)C(=O)NCCCc1c[nH][nH]c1=O	ZINC000912471058	613476867	/nfs/dbraw/zinc/47/68/67/613476867.db2.gz	MRSCPCAEZUPQJT-FZMZJTMJSA-N	-1	0	281.356	0.843	20	30		CCEDRM
C=C[C@H](C)NC(=O)CN(C[C@@H]1CCCO1)C(=O)[O-]	ZINC000823491592	613482545	/nfs/dbraw/zinc/48/25/45/613482545.db2.gz	XYVCKYWXNSKMLA-UWVGGRQHSA-N	-1	0	256.302	0.836	20	30		CCEDRM
C=C[C@H](C)O[N-]C(=O)C(=O)Nc1ccn(CC)n1	ZINC000850476826	613483745	/nfs/dbraw/zinc/48/37/45/613483745.db2.gz	QNBQBORGHTZWJK-QMMMGPOBSA-N	-1	0	252.274	0.464	20	30		CCEDRM
C=C[C@H](C)O[N-]C(=O)[C@@H]1CCCN1S(C)(=O)=O	ZINC000846542767	613488259	/nfs/dbraw/zinc/48/82/59/613488259.db2.gz	BSENWBUOOLAGLF-IUCAKERBSA-N	-1	0	262.331	0.033	20	30		CCEDRM
C=C[C@H](CC)CC(=O)N1CCOC[C@H]1c1nnn[n-]1	ZINC000827961457	613489109	/nfs/dbraw/zinc/48/91/09/613489109.db2.gz	OOXXUNGVBLHHDU-ZJUUUORDSA-N	-1	0	265.317	0.702	20	30		CCEDRM
C=C[C@H](O)C(=O)N[C@@H](CC(=O)[O-])c1cccs1	ZINC000908641689	613496892	/nfs/dbraw/zinc/49/68/92/613496892.db2.gz	KMOYFXXHWUACSE-YUMQZZPRSA-N	-1	0	255.295	0.927	20	30		CCEDRM
C=C[C@](C)(CC)C(=O)N1CCN(Cc2n[nH]c(=O)[n-]2)CC1	ZINC000950051219	613502914	/nfs/dbraw/zinc/50/29/14/613502914.db2.gz	IVJDZINULGQTCJ-CQSZACIVSA-N	-1	0	293.371	0.757	20	30		CCEDRM
C=C[C@](C)(O)C(=O)NCCc1cccc(C(=O)[O-])c1	ZINC000909462310	613507020	/nfs/dbraw/zinc/50/70/20/613507020.db2.gz	BYBUIXJMHOOXFP-AWEZNQCLSA-N	-1	0	263.293	0.981	20	30		CCEDRM
C=C[C@](C)(O)C(=O)N[C@@H](CC1(OC)CCC1)C(=O)[O-]	ZINC000909893474	613508109	/nfs/dbraw/zinc/50/81/09/613508109.db2.gz	IQVALQZRTDPKIF-CABZTGNLSA-N	-1	0	271.313	0.452	20	30		CCEDRM
C=C[C@](C)(O)C(=O)N[C@@H](C)c1ncc(C(=O)[O-])s1	ZINC000910153771	613508330	/nfs/dbraw/zinc/50/83/30/613508330.db2.gz	VFTDSXHKGUTDCA-KGFZYKRKSA-N	-1	0	270.310	0.956	20	30		CCEDRM
C=CCCNC(=O)C(=O)N1CC[C@](C)(C(=O)[O-])C1	ZINC000851683500	613568088	/nfs/dbraw/zinc/56/80/88/613568088.db2.gz	HUHOBYXEASBFEA-LBPRGKRZSA-N	-1	0	254.286	0.002	20	30		CCEDRM
C=CCCOCC(=O)NCCCc1c[nH][nH]c1=O	ZINC000898735052	613572276	/nfs/dbraw/zinc/57/22/76/613572276.db2.gz	RCVBRRHAZVNOKK-SNVBAGLBSA-N	-1	0	253.302	0.207	20	30		CCEDRM
C=CCCOCC(=O)N[C@H](CC(F)F)C(=O)[O-]	ZINC000833374282	613572955	/nfs/dbraw/zinc/57/29/55/613572955.db2.gz	XAOFCGATPHGYIU-SSDOTTSWSA-N	-1	0	251.229	0.804	20	30		CCEDRM
C=CCCO[N-]C(=O)COCC(=O)OC(C)(C)C	ZINC000856027512	613576608	/nfs/dbraw/zinc/57/66/08/613576608.db2.gz	PAFQSZISUULKOB-UHFFFAOYSA-N	-1	0	259.302	0.969	20	30		CCEDRM
C=CCCO[N-]C(=O)[C@@H](c1cncn1C)N(C)C	ZINC000856034615	613576846	/nfs/dbraw/zinc/57/68/46/613576846.db2.gz	JEGBNDLYSFGBFO-LLVKDONJSA-N	-1	0	252.318	0.647	20	30		CCEDRM
C=CCCO[N-]C(=O)[C@H](C)S(=O)(=O)C1CCOCC1	ZINC000856033135	613577010	/nfs/dbraw/zinc/57/70/10/613577010.db2.gz	YYAOQZPJFDWYFD-JTQLQIEISA-N	-1	0	291.369	0.593	20	30		CCEDRM
C=CCCO[C@H](C)C(=O)N1CCC([C@H](O)C(=O)[O-])CC1	ZINC000833373887	613579096	/nfs/dbraw/zinc/57/90/96/613579096.db2.gz	HYMYVARJQQOBSJ-PWSUYJOCSA-N	-1	0	285.340	0.652	20	30		CCEDRM
C=CCCO[C@H](C)C(=O)N[C@H](CSC)C(=O)[O-]	ZINC000910880606	613579528	/nfs/dbraw/zinc/57/95/28/613579528.db2.gz	FWUXTBSVRMLOIX-RKDXNWHRSA-N	-1	0	261.343	0.900	20	30		CCEDRM
C=CCCS(=O)(=O)N1CCC(C#CC(=O)[O-])CC1	ZINC000844820078	613580542	/nfs/dbraw/zinc/58/05/42/613580542.db2.gz	XRVQEKSZMWDVIY-UHFFFAOYSA-N	-1	0	271.338	0.692	20	30		CCEDRM
C=CCCS(=O)(=O)N1CCN(CCC(=O)[O-])C[C@@H]1C	ZINC000833375118	613580707	/nfs/dbraw/zinc/58/07/07/613580707.db2.gz	WUQNDZXYRCQZQG-NSHDSACASA-N	-1	0	290.385	0.373	20	30		CCEDRM
C=CCCS(=O)(=O)NCCCN(CC)C(=O)[O-]	ZINC000823500683	613581284	/nfs/dbraw/zinc/58/12/84/613581284.db2.gz	KBXXNZDLFHQAPO-UHFFFAOYSA-N	-1	0	264.347	0.872	20	30		CCEDRM
C=CCCS(=O)(=O)N[C@@H]1CCO[C@@](C)(C(=O)[O-])C1	ZINC000906007753	613581626	/nfs/dbraw/zinc/58/16/26/613581626.db2.gz	CADDSECYJVYNDC-MWLCHTKSSA-N	-1	0	277.342	0.504	20	30		CCEDRM
C=CCC[C@@H](CO)NC(=O)Cc1cc(=O)n(CC(C)C)[n-]1	ZINC000821969484	613583097	/nfs/dbraw/zinc/58/30/97/613583097.db2.gz	BHNOGCUYNFFLPP-LBPRGKRZSA-N	-1	0	295.383	0.818	20	30		CCEDRM
C=CCC[C@H](NC(=O)[C@@H](C)N1CCSCC1)C(=O)[O-]	ZINC000909713018	613590070	/nfs/dbraw/zinc/59/00/70/613590070.db2.gz	CWBGUKQIEIPBDG-MNOVXSKESA-N	-1	0	286.397	0.959	20	30		CCEDRM
C=CCC[C@H](NC(=O)c1cc2n(n1)CCC2)C(=O)[O-]	ZINC000909714461	613590357	/nfs/dbraw/zinc/59/03/57/613590357.db2.gz	XELJCJWTBFNTCM-JTQLQIEISA-N	-1	0	263.297	0.979	20	30		CCEDRM
C=CCCn1cc(C(=O)[N-]S(=O)(=O)CCCC#N)nn1	ZINC000820510971	613594963	/nfs/dbraw/zinc/59/49/63/613594963.db2.gz	YWQWEBUWUJXEMQ-UHFFFAOYSA-N	-1	0	297.340	0.218	20	30		CCEDRM
C=CCCn1cc(C(=O)[N-]S(=O)(=O)[C@@H](C)CC)nn1	ZINC000820601883	613594974	/nfs/dbraw/zinc/59/49/74/613594974.db2.gz	ZNCDKAHPFBWRTN-VIFPVBQESA-N	-1	0	286.357	0.712	20	30		CCEDRM
C=CCN(CC(=O)[O-])C(=O)C[C@@H]1CCCS(=O)(=O)C1	ZINC000909517021	613641824	/nfs/dbraw/zinc/64/18/24/613641824.db2.gz	XPUQKDYTPLBZSE-JTQLQIEISA-N	-1	0	289.353	0.301	20	30		CCEDRM
C=CCN(CC(=O)[O-])C(=O)CCc1cnn(C)c1C	ZINC000909515054	613641856	/nfs/dbraw/zinc/64/18/56/613641856.db2.gz	OABPJNOMMBHAQE-UHFFFAOYSA-N	-1	0	265.313	0.760	20	30		CCEDRM
C=CCN(CC(=O)[O-])C(=O)NC[C@@H]1CCO[C@H]1C=C	ZINC000909238183	613642429	/nfs/dbraw/zinc/64/24/29/613642429.db2.gz	OEFZRJLDAPXDGO-QWRGUYRKSA-N	-1	0	268.313	0.860	20	30		CCEDRM
C=CCN(CC(=O)[O-])C(=O)Cc1cn(C)nc1C	ZINC000909515133	613642453	/nfs/dbraw/zinc/64/24/53/613642453.db2.gz	QKJNMNRUQFBHHP-UHFFFAOYSA-N	-1	0	251.286	0.370	20	30		CCEDRM
C=CCN(CC(=O)[O-])C(=O)N[C@@H]1C[C@H]2CC[C@@H]1O2	ZINC000133048411	613643249	/nfs/dbraw/zinc/64/32/49/613643249.db2.gz	CHZKGYFDNJOCLL-BBBLOLIVSA-N	-1	0	254.286	0.589	20	30		CCEDRM
C=CCN(CC(=O)[O-])C(=O)c1c[nH]c(=O)cc1OC	ZINC000907633080	613643665	/nfs/dbraw/zinc/64/36/65/613643665.db2.gz	IQSDEOAJKDXLAS-UHFFFAOYSA-N	-1	0	266.253	0.509	20	30		CCEDRM
CC#CCNC(=O)C1=NN(c2ccccc2)[C@@H](C(=O)[O-])C1	ZINC000819720247	613643983	/nfs/dbraw/zinc/64/39/83/613643983.db2.gz	PZYXYSHFDUBQAJ-CYBMUJFWSA-N	-1	0	285.303	0.845	20	30		CCEDRM
CC#CCN[C@H](C(=O)OC)c1cccc(-c2nn[nH]n2)c1	ZINC000823942547	613645062	/nfs/dbraw/zinc/64/50/62/613645062.db2.gz	FWZXXJRUSONMLC-LBPRGKRZSA-N	-1	0	285.307	0.694	20	30		CCEDRM
CC#CCS(=O)(=O)[N-]C(=O)CCC1CCOCC1	ZINC000810771474	613645955	/nfs/dbraw/zinc/64/59/55/613645955.db2.gz	KXYDMHQQFWFTNB-UHFFFAOYSA-N	-1	0	273.354	0.663	20	30		CCEDRM
CC#CCS(=O)(=O)[N-]C(=O)Cc1ccc(F)cn1	ZINC000810776234	613646227	/nfs/dbraw/zinc/64/62/27/613646227.db2.gz	KWPVRIPPFZEOGF-UHFFFAOYSA-N	-1	0	270.285	0.233	20	30		CCEDRM
CC#CCS(=O)(=O)[N-]C(=O)[C@@H](OCC)C1CC1	ZINC000860721213	613646737	/nfs/dbraw/zinc/64/67/37/613646737.db2.gz	AMVMDZSWMIWQEQ-JTQLQIEISA-N	-1	0	259.327	0.271	20	30		CCEDRM
CC#CCS(=O)(=O)[N-]C(=O)c1cc(CC)c[nH]c1=O	ZINC000850999280	613647514	/nfs/dbraw/zinc/64/75/14/613647514.db2.gz	CAPGDKQPJQCIRL-UHFFFAOYSA-N	-1	0	282.321	0.433	20	30		CCEDRM
CC#CCS(=O)(=O)[N-]C(=O)c1cnn2c1CCCC2	ZINC000798202523	613648047	/nfs/dbraw/zinc/64/80/47/613648047.db2.gz	HMNJPBOEOQDLQG-UHFFFAOYSA-N	-1	0	281.337	0.302	20	30		CCEDRM
CC#CC[C@@H](NC(=O)OC1CCOCC1)C(=O)[O-]	ZINC000926463226	613650430	/nfs/dbraw/zinc/65/04/30/613650430.db2.gz	ISHGJRYTVXWKCC-SNVBAGLBSA-N	-1	0	255.270	0.758	20	30		CCEDRM
CC(=NNCC(=O)[O-])c1ccc(N2CCNC2=O)cc1	ZINC000814958778	613654453	/nfs/dbraw/zinc/65/44/53/613654453.db2.gz	QNUUTDNZCRDGFL-UHFFFAOYSA-N	-1	0	276.296	0.614	20	30		CCEDRM
CC(=NN[C@H](C)CO)c1ccc(-c2nn[nH]n2)cc1	ZINC000819772791	613656532	/nfs/dbraw/zinc/65/65/32/613656532.db2.gz	LSVBENLGCQSENR-MRVPVSSYSA-N	-1	0	260.301	0.561	20	30		CCEDRM
CC(=NNc1nnc(C)c(=O)[n-]1)c1cc(C)n(C)n1	ZINC000799869693	613657451	/nfs/dbraw/zinc/65/74/51/613657451.db2.gz	ZRVCAKGLPWOKRJ-UHFFFAOYSA-N	-1	0	261.289	0.764	20	30		CCEDRM
CC(=O)N1CCC(CNC(=O)[C@](C)(C#N)CC(=O)[O-])CC1	ZINC000819731239	613804416	/nfs/dbraw/zinc/80/44/16/613804416.db2.gz	FTUBSVIWMYVROT-AWEZNQCLSA-N	-1	0	295.339	0.366	20	30		CCEDRM
C=CCNC(=O)C(=O)Nc1ccc(C(=O)[O-])c(F)c1	ZINC000825687542	613844978	/nfs/dbraw/zinc/84/49/78/613844978.db2.gz	PHRNVYDFZSZWFL-UHFFFAOYSA-N	-1	0	266.228	0.765	20	30		CCEDRM
C=CCNC(=O)CNC(=O)[C@@H](CC(C)C)NC(=O)[O-]	ZINC000833376754	613846773	/nfs/dbraw/zinc/84/67/73/613846773.db2.gz	AQTACPIKIODNFW-SECBINFHSA-N	-1	0	271.317	0.087	20	30		CCEDRM
C=CCNC(=O)[C@H](C)OC(=O)C(C)(C)CNC(=O)[O-]	ZINC000823507121	613855431	/nfs/dbraw/zinc/85/54/31/613855431.db2.gz	SOKRYHLHHHMWFY-QMMMGPOBSA-N	-1	0	272.301	0.514	20	30		CCEDRM
C=CCOCC(=O)N(C1CC1)[C@@H]1CCN(C(=O)[O-])C1	ZINC000823516259	613879026	/nfs/dbraw/zinc/87/90/26/613879026.db2.gz	DHOUQYKMVJZGBB-LLVKDONJSA-N	-1	0	268.313	0.932	20	30		CCEDRM
C=CCOCC(=O)NCc1ccc(C(=O)[O-])nc1	ZINC000910981753	613879375	/nfs/dbraw/zinc/87/93/75/613879375.db2.gz	QPHASJFJNFVOED-UHFFFAOYSA-N	-1	0	250.254	0.599	20	30		CCEDRM
C=CCOCCCC(=O)NC[C@H]1CCO[C@H]1C(=O)[O-]	ZINC000864213931	613879763	/nfs/dbraw/zinc/87/97/63/613879763.db2.gz	HBHGEOFHUOWDIW-ZYHUDNBSSA-N	-1	0	271.313	0.575	20	30		CCEDRM
C=CCOCCNC(=O)[C@@H]1CO[C@@H](CCC(=O)[O-])C1	ZINC000902077213	613880964	/nfs/dbraw/zinc/88/09/64/613880964.db2.gz	MOSWCEJBJFWCAG-QWRGUYRKSA-N	-1	0	271.313	0.575	20	30		CCEDRM
C=CCOCCNc1ncc([N+](=O)[O-])cc1-c1nn[nH]n1	ZINC000823931864	613881160	/nfs/dbraw/zinc/88/11/60/613881160.db2.gz	IFKRQINRHZOAJG-UHFFFAOYSA-N	-1	0	291.271	0.784	20	30		CCEDRM
C=CCOC[C@@H](NC(=O)Cc1cc(CC)nn1C)C(=O)[O-]	ZINC000909766649	613881705	/nfs/dbraw/zinc/88/17/05/613881705.db2.gz	JQUSMNXZFXMHIQ-GFCCVEGCSA-N	-1	0	295.339	0.297	20	30		CCEDRM
C=CCOC[C@H](NC(=O)C1(c2cccnc2)CC1)C(=O)[O-]	ZINC000909770369	613882221	/nfs/dbraw/zinc/88/22/21/613882221.db2.gz	FZGCIDWNWKQWGV-LBPRGKRZSA-N	-1	0	290.319	0.885	20	30		CCEDRM
C=CCOC[C@H](NC(=O)NC/C=C\CC)C(=O)[O-]	ZINC000909037840	613882350	/nfs/dbraw/zinc/88/23/50/613882350.db2.gz	OOQXRXGSYFXWFG-OMMCCPJFSA-N	-1	0	256.302	0.908	20	30		CCEDRM
C=CCOC[C@H](NC(=O)COC(F)(F)F)C(=O)[O-]	ZINC000909767582	613882389	/nfs/dbraw/zinc/88/23/89/613882389.db2.gz	PTOOXNRPJJJLDQ-LURJTMIESA-N	-1	0	271.191	0.295	20	30		CCEDRM
C=CCOC[C@H](NC(=O)N[C@H]1C[C@H](OC)C1)C(=O)[O-]	ZINC000909163570	613882408	/nfs/dbraw/zinc/88/24/08/613882408.db2.gz	OYUFPMQMWBPMEK-GUBZILKMSA-N	-1	0	272.301	0.119	20	30		CCEDRM
C=CCO[N-]C(=O)C1(NC(=O)NCC)CCCC1	ZINC000837043516	613883143	/nfs/dbraw/zinc/88/31/43/613883143.db2.gz	CYLXGJMUXVGXAU-UHFFFAOYSA-N	-1	0	255.318	0.852	20	30		CCEDRM
C=CCO[N-]C(=O)COCc1ocnc1C(=O)OC	ZINC000861924267	613883201	/nfs/dbraw/zinc/88/32/01/613883201.db2.gz	OFNGPDCAKFPWDE-UHFFFAOYSA-N	-1	0	270.241	0.212	20	30		CCEDRM
C=CCO[N-]C(=O)[C@@H](O)Cc1cccc(OC)c1	ZINC000837047432	613884443	/nfs/dbraw/zinc/88/44/43/613884443.db2.gz	AJEDUYRRQLRKLH-LBPRGKRZSA-N	-1	0	251.282	0.832	20	30		CCEDRM
C=CCO[N-]C(=O)[C@H](C)Sc1nnnn1C1CC1	ZINC000837044198	613884534	/nfs/dbraw/zinc/88/45/34/613884534.db2.gz	JUIFSIWIXOFMOI-ZETCQYMHSA-N	-1	0	269.330	0.722	20	30		CCEDRM
C=CCO[N-]C(=O)[C@H](CO)NC(=O)Cc1ccc(F)cc1	ZINC000846247959	613884571	/nfs/dbraw/zinc/88/45/71/613884571.db2.gz	BDCVXCKSCRDZCH-LBPRGKRZSA-N	-1	0	296.298	0.079	20	30		CCEDRM
C=CCS(=O)(=O)CCNC(=O)c1ccnc(C(=O)[O-])c1	ZINC000833378664	613885517	/nfs/dbraw/zinc/88/55/17/613885517.db2.gz	SETDEDQJQPMXQL-UHFFFAOYSA-N	-1	0	298.320	0.110	20	30		CCEDRM
C=CCS(=O)(=O)[N-]C(=O)[C@@H](C)N(C)CC(F)(F)F	ZINC000798846636	613886215	/nfs/dbraw/zinc/88/62/15/613886215.db2.gz	QPBPQLIZXQTOLJ-SSDOTTSWSA-N	-1	0	288.291	0.501	20	30		CCEDRM
C=CCS(=O)(=O)[N-]C(=O)[C@@H]1CCCN1C(=O)C1CC1	ZINC000842745958	613886219	/nfs/dbraw/zinc/88/62/19/613886219.db2.gz	AEWCHHRWLBPDHN-JTQLQIEISA-N	-1	0	286.353	0.019	20	30		CCEDRM
CC(C)C[C@@H](C#N)NC(=O)c1cc(-c2nn[nH]n2)c[nH]1	ZINC000820051616	614179830	/nfs/dbraw/zinc/17/98/30/614179830.db2.gz	RKCDVDJBGQANGB-VIFPVBQESA-N	-1	0	273.300	0.863	20	30		CCEDRM
CC(C)C[C@@H](C#N)NC(=O)C[C@@H]1CN(C(=O)[O-])CCO1	ZINC000824170882	614179859	/nfs/dbraw/zinc/17/98/59/614179859.db2.gz	UDABRHHDJJCASB-WDEREUQCSA-N	-1	0	283.328	0.810	20	30		CCEDRM
CC(C)C[C@@H](C#N)NC(=O)COC1CN(C(=O)[O-])C1	ZINC000824170840	614180024	/nfs/dbraw/zinc/18/00/24/614180024.db2.gz	SRVGKAOITPZLBM-VIFPVBQESA-N	-1	0	269.301	0.420	20	30		CCEDRM
CC(C)[C@@](C)(C#N)NC(=O)CN1CCO[C@@H](CC(=O)[O-])C1	ZINC000826676832	614180113	/nfs/dbraw/zinc/18/01/13/614180113.db2.gz	KWWNGCXHHRPXEM-SMDDNHRTSA-N	-1	0	297.355	0.216	20	30		CCEDRM
CC(C)C[C@@H](C(=O)N[C@@H]1CCCN(O)C1=O)n1ccnc1	ZINC000823161652	614180621	/nfs/dbraw/zinc/18/06/21/614180621.db2.gz	SPJNPLQXNZACJP-NEPJUHHUSA-N	-1	0	294.355	0.967	20	30		CCEDRM
CC(C)[C@H](C#N)NC(=O)CN1CCC(NC(=O)[O-])CC1	ZINC000824057414	614187346	/nfs/dbraw/zinc/18/73/46/614187346.db2.gz	RCAUFJBVWYSAHK-NSHDSACASA-N	-1	0	282.344	0.383	20	30		CCEDRM
CC(=O)Nc1ccc(C=Nn2c(=O)[n-][nH]c2=O)cc1	ZINC000814230843	614200042	/nfs/dbraw/zinc/20/00/42/614200042.db2.gz	CGCCEQBUAUSAMB-UHFFFAOYSA-N	-1	0	261.241	0.530	20	30		CCEDRM
CC(C)N(C(=O)CN1CCN(C(=O)[O-])C[C@@H]1C#N)C(C)C	ZINC000824324220	614247143	/nfs/dbraw/zinc/24/71/43/614247143.db2.gz	ROBUSRUORUJLRD-LBPRGKRZSA-N	-1	0	296.371	0.820	20	30		CCEDRM
CC(C)(C#N)CNC(=O)C(=O)Nc1ccccc1C(=O)[O-]	ZINC000819901627	614285604	/nfs/dbraw/zinc/28/56/04/614285604.db2.gz	NKBSTUAGXLASBL-UHFFFAOYSA-N	-1	0	289.291	0.989	20	30		CCEDRM
CC(C[C@H](C)NC(=O)[O-])=NN1CC(=O)N(C)C1=O	ZINC000833801514	614382106	/nfs/dbraw/zinc/38/21/06/614382106.db2.gz	KPTGOXDSLIICHD-LURJTMIESA-N	-1	0	256.262	0.303	20	30		CCEDRM
CC1(C#N)CN(S(=O)(=O)c2ccc(C(=O)[O-])cc2)C1	ZINC000906963893	614422692	/nfs/dbraw/zinc/42/26/92/614422692.db2.gz	TWJJVFGLCKAGTM-UHFFFAOYSA-N	-1	0	280.305	0.919	20	30		CCEDRM
CCC(C#N)(CC)C(=O)[N-]S(=O)(=O)C[C@@H](C)OC	ZINC000860705275	614470227	/nfs/dbraw/zinc/47/02/27/614470227.db2.gz	FONDLKNHQPOAJA-SECBINFHSA-N	-1	0	276.358	0.797	20	30		CCEDRM
CC1(C)CN(C(=O)[O-])CCN1C(=O)CSCC#N	ZINC000825724533	614593061	/nfs/dbraw/zinc/59/30/61/614593061.db2.gz	LMCVXAKQTLFOMI-UHFFFAOYSA-N	-1	0	271.342	0.844	20	30		CCEDRM
C[C@@](C#N)(CC(=O)[O-])C(=O)N[C@@H]1CC(C)(C)OC1=O	ZINC000820205814	614744061	/nfs/dbraw/zinc/74/40/61/614744061.db2.gz	ABDBVMBTYQRZFO-KRTXAFLBSA-N	-1	0	268.269	0.201	20	30		CCEDRM
C[C@@](C#N)(CC(=O)[O-])C(=O)NCC1(C)CCOCC1	ZINC000820214947	614901619	/nfs/dbraw/zinc/90/16/19/614901619.db2.gz	KMZAFBMTJOZFQY-ZDUSSCGKSA-N	-1	0	268.313	0.924	20	30		CCEDRM
CCCCCCNC(=O)C(C#N)=C([O-])c1cn(C)nn1	ZINC000808978004	614912745	/nfs/dbraw/zinc/91/27/45/614912745.db2.gz	DLIUALPPKDPWNW-JTQLQIEISA-N	-1	0	277.328	0.834	20	30		CCEDRM
CC1(S(=O)(=O)[N-]C(=O)COc2cccc(C#N)c2)CC1	ZINC000806025190	614934870	/nfs/dbraw/zinc/93/48/70/614934870.db2.gz	CVDOSGPHDAKAFI-UHFFFAOYSA-N	-1	0	294.332	0.936	20	30		CCEDRM
CCCO[N-]C(=O)C(=NOCC(=O)OCC)c1cc[nH]n1	ZINC000844088110	614942136	/nfs/dbraw/zinc/94/21/36/614942136.db2.gz	OBOMLLSUBPLYSV-UHFFFAOYSA-N	-1	0	298.299	0.151	20	30		CCEDRM
CCN(CC(=O)N[C@@](C)(C#N)C1CC1)C1CN(C(=O)[O-])C1	ZINC000827001810	614942395	/nfs/dbraw/zinc/94/23/95/614942395.db2.gz	CYGQYPJTOFEWOX-AWEZNQCLSA-N	-1	0	294.355	0.479	20	30		CCEDRM
CCC[C@@H](C#N)NC(=O)[C@@]1(F)CCN(C(=O)[O-])C1	ZINC000826705914	614971312	/nfs/dbraw/zinc/97/13/12/614971312.db2.gz	JGWGAPWHDNMICU-GZMMTYOYSA-N	-1	0	257.265	0.887	20	30		CCEDRM
CCN(CC)C(=O)[C@@H](C)OC(=O)[C@](C)(C#N)CC(=O)[O-]	ZINC000820338716	614984392	/nfs/dbraw/zinc/98/43/92/614984392.db2.gz	PLLZPPJQEVQHML-RNCFNFMXSA-N	-1	0	284.312	0.791	20	30		CCEDRM
CCN(CC)c1ncc(C=Nn2c(=O)[n-][nH]c2=O)s1	ZINC000814233083	615013354	/nfs/dbraw/zinc/01/33/54/615013354.db2.gz	ABRRRMALKWWAPT-UHFFFAOYSA-N	-1	0	282.329	0.874	20	30		CCEDRM
CCC[C@H](NC(=O)[O-])C(=O)N1CCOC[C@H]1C#N	ZINC000826752628	615044667	/nfs/dbraw/zinc/04/46/67/615044667.db2.gz	YFNPZOXQGLYEEW-BDAKNGLRSA-N	-1	0	255.274	0.174	20	30		CCEDRM
CCN(CCNC(=O)Nc1nn(C)cc1C#N)C(=O)[O-]	ZINC000827146218	615050145	/nfs/dbraw/zinc/05/01/45/615050145.db2.gz	LXKBDJSGOIRHSV-UHFFFAOYSA-N	-1	0	280.288	0.413	20	30		CCEDRM
CCN(C[C@H](C)C#N)C(=O)CN1CC[C@@](F)(C(=O)[O-])C1	ZINC000829642710	615064609	/nfs/dbraw/zinc/06/46/09/615064609.db2.gz	ONFDTCVESANYCR-MFKMUULPSA-N	-1	0	285.319	0.493	20	30		CCEDRM
CCN(C[C@H](C)C#N)C(=O)COC(=O)[C@H](C)CC(=O)[O-]	ZINC000829642321	615064842	/nfs/dbraw/zinc/06/48/42/615064842.db2.gz	JBHLZMWIRMALEE-NXEZZACHSA-N	-1	0	284.312	0.649	20	30		CCEDRM
CCOC(=O)CN(CC)C(=O)[C@@](C)(C#N)CC(=O)[O-]	ZINC000820364810	615189271	/nfs/dbraw/zinc/18/92/71/615189271.db2.gz	YBQCWHJIRIRSIY-GFCCVEGCSA-N	-1	0	270.285	0.403	20	30		CCEDRM
CCS(=O)(=O)[N-]C(=O)c1ccc(C#N)c(OC)c1	ZINC000850836821	615340683	/nfs/dbraw/zinc/34/06/83/615340683.db2.gz	IPAUUXGKQQYRQX-UHFFFAOYSA-N	-1	0	268.294	0.646	20	30		CCEDRM
CCO[N-]C(=O)CNC(=O)N(C)CC(C)(C)C#N	ZINC000845531890	615358739	/nfs/dbraw/zinc/35/87/39/615358739.db2.gz	JQFSDYVVBAHTPZ-UHFFFAOYSA-N	-1	0	256.306	0.245	20	30		CCEDRM
CCO[N-]C(=O)CNC(=O)c1ccccc1OCC#N	ZINC000846498332	615372523	/nfs/dbraw/zinc/37/25/23/615372523.db2.gz	PRLFHBWFIYTRAJ-UHFFFAOYSA-N	-1	0	277.280	0.386	20	30		CCEDRM
CCO[N-]C(=O)CN[C@H](C(=O)OC)c1cccc(C#N)c1	ZINC000844632386	615376021	/nfs/dbraw/zinc/37/60/21/615376021.db2.gz	NQVLXWWSXVBUGY-ZDUSSCGKSA-N	-1	0	291.307	0.430	20	30		CCEDRM
CCO[C@@H](C)c1noc(CN(CC#N)CC(=O)[O-])n1	ZINC000829908515	615401363	/nfs/dbraw/zinc/40/13/63/615401363.db2.gz	ZGQIBXHASYXBEP-QMMMGPOBSA-N	-1	0	268.273	0.577	20	30		CCEDRM
CCOC(=O)c1cc(C=NNCC(=O)[O-])[nH]c1C	ZINC000814959755	615401985	/nfs/dbraw/zinc/40/19/85/615401985.db2.gz	BHNXLHKHEHAMSE-UHFFFAOYSA-N	-1	0	253.258	0.508	20	30		CCEDRM
CCO[C@H]1C[C@@H]1C(=O)[N-]S(=O)(=O)c1cncc(C#N)c1	ZINC000813984092	615495112	/nfs/dbraw/zinc/49/51/12/615495112.db2.gz	NQKYYCVAXRDIEB-QWRGUYRKSA-N	-1	0	295.320	0.183	20	30		CCEDRM
CCOc1cccc(/C=N/CC(=O)[N-]OC)c1O	ZINC000899227589	615512868	/nfs/dbraw/zinc/51/28/68/615512868.db2.gz	OFFFHZAKTFNVPU-NTUHNPAUSA-N	-1	0	252.270	0.887	20	30		CCEDRM
CCOc1cccnc1C(=O)N[C@H]1CCCN(O)C1=O	ZINC000816753749	615519498	/nfs/dbraw/zinc/51/94/98/615519498.db2.gz	OLNOZCDPFCRJKH-VIFPVBQESA-N	-1	0	279.296	0.590	20	30		CCEDRM
CCn1ncc(C([O-])=C(C#N)C(=O)NCCOC)c1C	ZINC000870139982	615694540	/nfs/dbraw/zinc/69/45/40/615694540.db2.gz	ZWUVPFKZTJPZSM-JTQLQIEISA-N	-1	0	278.312	0.297	20	30		CCEDRM
CC[C@H](CC#N)NS(=O)(=O)N=S1(=O)CCCC1	ZINC000867108195	615705032	/nfs/dbraw/zinc/70/50/32/615705032.db2.gz	JBBXBVARWXVMNP-SECBINFHSA-N	-1	0	279.387	0.775	20	30		CCEDRM
CCn1ncc(Cl)c1C([O-])=C(C#N)C(=O)NCCOC	ZINC000857010299	615713498	/nfs/dbraw/zinc/71/34/98/615713498.db2.gz	JZPXWWHAXOMKKG-QMMMGPOBSA-N	-1	0	298.730	0.641	20	30		CCEDRM
CC[C@H](O)CNN=Cc1cc([N+](=O)[O-])ccc1[O-]	ZINC000811657178	615830074	/nfs/dbraw/zinc/83/00/74/615830074.db2.gz	HGIOHJSQAURDOP-JTQLQIEISA-N	-1	0	253.258	0.995	20	30		CCEDRM
CN(C(=O)[O-])[C@H]1CCN(CC(=O)N[C@@](C)(C#N)C2CC2)C1	ZINC000827881501	615845968	/nfs/dbraw/zinc/84/59/68/615845968.db2.gz	FBBUDRULTFJESY-FZMZJTMJSA-N	-1	0	294.355	0.479	20	30		CCEDRM
CCn1c(C)nnc1COC(=O)[C@@](C)(C#N)CC(=O)[O-]	ZINC000820506767	615921756	/nfs/dbraw/zinc/92/17/56/615921756.db2.gz	NDOCQXZIGIYRBS-GFCCVEGCSA-N	-1	0	280.284	0.654	20	30		CCEDRM
CCn1cc(CN(C)C(=O)[C@](C)(C#N)CC(=O)[O-])cn1	ZINC000820511455	615982824	/nfs/dbraw/zinc/98/28/24/615982824.db2.gz	OZGLOWLXPDKJLE-ZDUSSCGKSA-N	-1	0	278.312	0.866	20	30		CCEDRM
CCn1ccc(=O)n(Cc2cccc(C(=O)[O-])c2C#N)c1=O	ZINC000833683786	616015436	/nfs/dbraw/zinc/01/54/36/616015436.db2.gz	YESDEYVNMDESFQ-UHFFFAOYSA-N	-1	0	299.286	0.648	20	30		CCEDRM
CN(C)c1cccc(CNC(=O)[C@](C)(C#N)CC(=O)[O-])n1	ZINC000820548089	616021562	/nfs/dbraw/zinc/02/15/62/616021562.db2.gz	XBIDYNDXERPXQX-AWEZNQCLSA-N	-1	0	290.323	0.768	20	30		CCEDRM
CN(CCC(=O)[O-])C(=O)COc1cccc(C#N)c1	ZINC000818423314	616068763	/nfs/dbraw/zinc/06/87/63/616068763.db2.gz	GWRRGYPYDUGQNR-UHFFFAOYSA-N	-1	0	262.265	0.870	20	30		CCEDRM
CN(CCCNC(=O)[O-])C(=O)Nc1ccn(CCC#N)n1	ZINC000828298073	616075083	/nfs/dbraw/zinc/07/50/83/616075083.db2.gz	MEXTXGNDQRIQAH-UHFFFAOYSA-N	-1	0	294.315	0.918	20	30		CCEDRM
CN(CCN(C)[C@H](C(N)=O)c1ccc(C#N)cc1)C(=O)[O-]	ZINC000833874068	616083890	/nfs/dbraw/zinc/08/38/90/616083890.db2.gz	XKEIKTIKRAVQFO-LBPRGKRZSA-N	-1	0	290.323	0.626	20	30		CCEDRM
CN(CCc1cccc(C#N)c1)C(=O)CCc1nnn[n-]1	ZINC000869484036	616124647	/nfs/dbraw/zinc/12/46/47/616124647.db2.gz	YKVHOQGWZUEBMW-UHFFFAOYSA-N	-1	0	284.323	0.705	20	30		CCEDRM
CN1CCN([C@H](C(=O)[O-])c2cccc(C#N)c2)CC1	ZINC000830950367	616246621	/nfs/dbraw/zinc/24/66/21/616246621.db2.gz	JRXHUJLAHLHQIL-ZDUSSCGKSA-N	-1	0	259.309	0.931	20	30		CCEDRM
COC(=O)/C(C)=C/COC(=O)[C@@](C)(C#N)CC(=O)[O-]	ZINC000820653358	616293663	/nfs/dbraw/zinc/29/36/63/616293663.db2.gz	FSUHRLMJEJJJST-WNPFHQFXSA-N	-1	0	269.253	0.653	20	30		CCEDRM
COC/C(C)=C\C(=O)[N-]S(=O)(=O)CC1(C#N)CC1	ZINC000845511713	616383133	/nfs/dbraw/zinc/38/31/33/616383133.db2.gz	RHCJEISFZUVJGP-UITAMQMPSA-N	-1	0	272.326	0.329	20	30		CCEDRM
COC(=O)[C@@H]1C[C@@H]1C(=O)[N-]Oc1cccc(C#N)c1	ZINC000870690531	616431676	/nfs/dbraw/zinc/43/16/76/616431676.db2.gz	QIADCXKYABVSKU-WDEREUQCSA-N	-1	0	260.249	0.777	20	30		CCEDRM
COCCNC(=O)C(C#N)=C([O-])c1cn(C(C)C)nc1C	ZINC000847623440	616496522	/nfs/dbraw/zinc/49/65/22/616496522.db2.gz	KLELNCIJRIRXDL-LLVKDONJSA-N	-1	0	292.339	0.858	20	30		CCEDRM
COC(=O)[C@@]1(F)CCN(C(=O)[C@@](C)(C#N)CC(=O)[O-])C1	ZINC000820654139	616548718	/nfs/dbraw/zinc/54/87/18/616548718.db2.gz	XTCCYCKKWULMEP-VXGBXAGGSA-N	-1	0	286.259	0.105	20	30		CCEDRM
COC(=O)CN(CC#N)Cc1occc1C(=O)[O-]	ZINC000831164304	616588429	/nfs/dbraw/zinc/58/84/29/616588429.db2.gz	KKFJLMBAOGMHJA-UHFFFAOYSA-N	-1	0	252.226	0.476	20	30		CCEDRM
COC(=O)CN(CC#N)Cc1ccc(C(=O)[O-])s1	ZINC000831164968	616588684	/nfs/dbraw/zinc/58/86/84/616588684.db2.gz	WRMNVBJOYVTQET-UHFFFAOYSA-N	-1	0	268.294	0.945	20	30		CCEDRM
COC[C@H](C)S(=O)(=O)[N-]C(=O)CCCCCC#N	ZINC000805881691	616629804	/nfs/dbraw/zinc/62/98/04/616629804.db2.gz	FUEPWPBNTIQJAA-JTQLQIEISA-N	-1	0	276.358	0.941	20	30		CCEDRM
COC[C@H](C)S(=O)(=O)[N-]C(=O)c1cc(C#N)oc1C	ZINC000797948623	616630274	/nfs/dbraw/zinc/63/02/74/616630274.db2.gz	BGZDVVVWPVDPKC-ZETCQYMHSA-N	-1	0	286.309	0.554	20	30		CCEDRM
COCC[C@H](NC(=O)C1(C#N)CC(C)C1)C(=O)[O-]	ZINC000923083147	616681469	/nfs/dbraw/zinc/68/14/69/616681469.db2.gz	ZAAZPYSALQGMKN-XEVUQIKYSA-N	-1	0	254.286	0.532	20	30		CCEDRM
COC[C@@H](C#N)OC(=O)[C@@]1(F)CCN(C(=O)[O-])C1	ZINC000833882011	616773667	/nfs/dbraw/zinc/77/36/67/616773667.db2.gz	HXNTWECUYVGTRP-GMSGAONNSA-N	-1	0	260.221	0.160	20	30		CCEDRM
COC[C@@H](C#N)OC(=O)C[C@H]1CCCN1C(=O)[O-]	ZINC000833881990	616773937	/nfs/dbraw/zinc/77/39/37/616773937.db2.gz	GWCNHVYNMGEFBL-RKDXNWHRSA-N	-1	0	256.258	0.601	20	30		CCEDRM
COC[C@@H](C#N)OC(=O)c1csc(CNC(=O)[O-])n1	ZINC000833882614	616774557	/nfs/dbraw/zinc/77/45/57/616774557.db2.gz	PJXFNPVSSGAIJO-ZCFIWIBFSA-N	-1	0	285.281	0.606	20	30		CCEDRM
COC[C@@H](C#N)OC(=O)[C@]1(F)CCN(C(=O)[O-])C1	ZINC000833882013	616774819	/nfs/dbraw/zinc/77/48/19/616774819.db2.gz	HXNTWECUYVGTRP-XCBNKYQSSA-N	-1	0	260.221	0.160	20	30		CCEDRM
CNC(=O)C(C#N)=C([O-])c1ccsc1COC	ZINC000870155056	616778033	/nfs/dbraw/zinc/77/80/33/616778033.db2.gz	SCUKUZPTTYVVPE-QMMMGPOBSA-N	-1	0	252.295	0.963	20	30		CCEDRM
CNC(=O)C(C#N)=C([O-])c1cnc2n1[C@@H](C)CCC2	ZINC000845444739	616778045	/nfs/dbraw/zinc/77/80/45/616778045.db2.gz	DXQXIGCQPHMMPJ-IUCAKERBSA-N	-1	0	260.297	0.849	20	30		CCEDRM
COC[C@](C)(C#N)NC(=O)CN(C(=O)[O-])C1CC1	ZINC000833883360	616816253	/nfs/dbraw/zinc/81/62/53/616816253.db2.gz	XNZUKOJQJMBZFU-NSHDSACASA-N	-1	0	255.274	0.174	20	30		CCEDRM
COC[C@](C)(C#N)NC(=O)[C@@H]1CC12CCN(C(=O)[O-])CC2	ZINC000833881833	616816706	/nfs/dbraw/zinc/81/67/06/616816706.db2.gz	DNXICNBUHBBRAC-GWCFXTLKSA-N	-1	0	295.339	0.811	20	30		CCEDRM
COC[C@](C)(NC(=O)[C@@H](O)c1ccc(C#N)cc1)C(=O)[O-]	ZINC000833720534	616830418	/nfs/dbraw/zinc/83/04/18/616830418.db2.gz	ATOWXHHVGDJUKY-FZMZJTMJSA-N	-1	0	292.291	0.198	20	30		CCEDRM
COC[C@@H](C)[C@H](C)C(=O)[N-]S(=O)(=O)CC1(C#N)CC1	ZINC000813084435	616842180	/nfs/dbraw/zinc/84/21/80/616842180.db2.gz	QJUKSGZGZZKNOM-ZJUUUORDSA-N	-1	0	288.369	0.655	20	30		CCEDRM
COC(=O)c1ccc(C=NNCCC(=O)[O-])cc1	ZINC000820680603	616890529	/nfs/dbraw/zinc/89/05/29/616890529.db2.gz	XNMGCKGPPOJWEG-UHFFFAOYSA-N	-1	0	250.254	0.871	20	30		CCEDRM
COCCCNC(=O)C(C#N)=C([O-])c1cnn(CCF)c1	ZINC000808979433	616898348	/nfs/dbraw/zinc/89/83/48/616898348.db2.gz	YYOBMUDIUZKLTQ-NSHDSACASA-N	-1	0	296.302	0.328	20	30		CCEDRM
COC(=O)c1ccc(CN(CC#N)CC(=O)[O-])cc1	ZINC000831379786	616898711	/nfs/dbraw/zinc/89/87/11/616898711.db2.gz	WJLITBMUPIOQRB-UHFFFAOYSA-N	-1	0	262.265	0.883	20	30		CCEDRM
COC(=O)c1ccc(O)c(C=NN2CCOC2=O)c1	ZINC000863162832	616918632	/nfs/dbraw/zinc/91/86/32/616918632.db2.gz	BVBZIZXRONZZQQ-UHFFFAOYSA-N	-1	0	264.237	0.965	20	30		CCEDRM
COCCN(CC(=O)N1CCC(CC#N)CC1)C(=O)[O-]	ZINC000833884766	616977707	/nfs/dbraw/zinc/97/77/07/616977707.db2.gz	UJWNEVKULUWCHU-UHFFFAOYSA-N	-1	0	283.328	0.765	20	30		CCEDRM
CO[C@H](C(=O)[N-]S(=O)(=O)CCC#N)C1CCCCC1	ZINC000851015725	616981721	/nfs/dbraw/zinc/98/17/21/616981721.db2.gz	ICAVLRVQESKQNT-NSHDSACASA-N	-1	0	288.369	0.941	20	30		CCEDRM
CO[C@H](C(=O)[N-]S(=O)(=O)CC1(C#N)CC1)C1CCC1	ZINC000850940300	616981800	/nfs/dbraw/zinc/98/18/00/616981800.db2.gz	KZVHPPXMBRLMLE-JTQLQIEISA-N	-1	0	286.353	0.551	20	30		CCEDRM
COCCN(CCC(=O)[O-])c1cc(C#N)ncn1	ZINC000900978539	616996893	/nfs/dbraw/zinc/99/68/93/616996893.db2.gz	LDDGCIDJHGIKSI-UHFFFAOYSA-N	-1	0	250.258	0.276	20	30		CCEDRM
COC[C@H](C#N)OC(=O)[C@@H]1CC[C@@H](NC(=O)[O-])C1	ZINC000833881715	617047185	/nfs/dbraw/zinc/04/71/85/617047185.db2.gz	CEKMFUGGVDBUFO-HLTSFMKQSA-N	-1	0	256.258	0.504	20	30		CCEDRM
COC[C@H](C)NC(=S)NN=Cc1cc(C(=O)[O-])cn1C	ZINC000901138427	617077824	/nfs/dbraw/zinc/07/78/24/617077824.db2.gz	OAWVATPNHSCCBF-QMMMGPOBSA-N	-1	0	298.368	0.556	20	30		CCEDRM
CO[N-]C(=O)CNc1nc2c(cc1C#N)CCCC2	ZINC000896196093	617118765	/nfs/dbraw/zinc/11/87/65/617118765.db2.gz	WKIRSBPJRWYGKQ-UHFFFAOYSA-N	-1	0	260.297	0.922	20	30		CCEDRM
CO[C@]1(C(=O)[N-]S(=O)(=O)CCCC#N)CCSC1	ZINC000892926728	617129751	/nfs/dbraw/zinc/12/97/51/617129751.db2.gz	XNCKTTVWLJNUAT-SNVBAGLBSA-N	-1	0	292.382	0.258	20	30		CCEDRM
C=CC[C@@H](CO)CN=c1nn[n-]n1Cc1ccccc1	ZINC000893096017	625318453	/nfs/dbraw/zinc/31/84/53/625318453.db2.gz	AAIMMTWQYBXJJW-CYBMUJFWSA-N	-1	0	273.340	0.740	20	30		CCEDRM
CNC(=O)C(C#N)=C([O-])c1cccc(C(=O)OC)c1	ZINC000103508197	625365094	/nfs/dbraw/zinc/36/50/94/625365094.db2.gz	NWPPIGJADOBYOX-JTQLQIEISA-N	-1	0	260.249	0.542	20	30		CCEDRM
CS[C@H](C)CC(=O)[N-]S(=O)(=O)CCCC#N	ZINC000181278393	625370020	/nfs/dbraw/zinc/37/00/20/625370020.db2.gz	ZNIWUKFXNNWDKC-MRVPVSSYSA-N	-1	0	264.372	0.878	20	30		CCEDRM
N#CCN[C@H]1C[C@@H](NC(=O)c2n[n-]c3ccccc3c2=O)C1	ZINC001022795039	622761338	/nfs/dbraw/zinc/76/13/38/622761338.db2.gz	JLAWQDCTAGIDGC-AOOOYVTPSA-N	-1	0	297.318	0.709	20	30		CCEDRM
Cn1cc(/C=C/C(=O)c2ccccc2[O-])c(=O)n(C)c1=O	ZINC000176953757	623210493	/nfs/dbraw/zinc/21/04/93/623210493.db2.gz	HYWUUBJZCARKLG-BQYQJAHWSA-N	-1	0	286.287	0.686	20	30		CCEDRM
C[C@H]1CO[C@@H](C(=O)[N-]S(=O)(=O)c2cccc(C#N)c2)C1	ZINC000892422466	623223409	/nfs/dbraw/zinc/22/34/09/623223409.db2.gz	UYVIJJFIJAELQB-BXKDBHETSA-N	-1	0	294.332	0.788	20	30		CCEDRM
COCCOCC(=O)Nc1cc(C#N)ccc1[O-]	ZINC000179739514	623346387	/nfs/dbraw/zinc/34/63/87/623346387.db2.gz	FJHGDJAHOOABTD-UHFFFAOYSA-N	-1	0	250.254	0.865	20	30		CCEDRM
CC(C)S(=O)(=O)[N-]C(=O)c1cnn2cccnc12	ZINC000049417866	624460647	/nfs/dbraw/zinc/46/06/47/624460647.db2.gz	AYBBDAQMRKBRAW-UHFFFAOYSA-N	-1	0	268.298	0.772	20	30		CCEDRM
Cn1ncc(C(=O)[N-]S(C)(=O)=O)c1-n1cccc1	ZINC000048480686	624784640	/nfs/dbraw/zinc/78/46/40/624784640.db2.gz	TWIFXLTYSJXCAJ-UHFFFAOYSA-N	-1	0	268.298	0.475	20	30		CCEDRM
C=CCN(CC(=O)[O-])C(=O)c1ccc(S(C)(=O)=O)cc1	ZINC000092463532	624851328	/nfs/dbraw/zinc/85/13/28/624851328.db2.gz	AAVSUKBSQHTEDB-UHFFFAOYSA-N	-1	0	297.332	0.803	20	30		CCEDRM
N#C[C@@H]1COCCN1C(=O)c1cccc(F)c1[O-]	ZINC000933559930	624891853	/nfs/dbraw/zinc/89/18/53/624891853.db2.gz	OPFJWQFIEQVYGF-MRVPVSSYSA-N	-1	0	250.229	0.896	20	30		CCEDRM
C=C(CC)CNS(=O)(=O)c1c[nH]c(C(=O)[O-])c1	ZINC000313490329	625826260	/nfs/dbraw/zinc/82/62/60/625826260.db2.gz	UVOCVKNCOJSOMG-UHFFFAOYSA-N	-1	0	258.299	0.957	20	30		CCEDRM
C#CCN1CCC[C@@H]1CNC(=O)c1[nH]nc(C)c1[O-]	ZINC001027829645	630955107	/nfs/dbraw/zinc/95/51/07/630955107.db2.gz	GGXNHHLTXXYWHE-SNVBAGLBSA-N	-1	0	262.313	0.251	20	30		CCEDRM
C[C@H](NN=C1C(=O)[N-]C(=O)NC1=O)c1ccccc1	ZINC000814217951	631594157	/nfs/dbraw/zinc/59/41/57/631594157.db2.gz	BIOGJOPUKARBLV-ZETCQYMHSA-N	-1	0	260.253	0.059	20	30		CCEDRM
C[C@H](Sc1nnnn1C1CC1)C(=O)[N-]S(C)(=O)=O	ZINC000048761633	631803014	/nfs/dbraw/zinc/80/30/14/631803014.db2.gz	LNUSNBJEXUJXEE-YFKPBYRVSA-N	-1	0	291.358	0.405	20	30		CCEDRM
C#CCCCC(=O)N[C@@H](C(=O)[O-])[C@@H]1CCCOC1	ZINC000909547681	632348045	/nfs/dbraw/zinc/34/80/45/632348045.db2.gz	YLMDDHMVLIXGCH-ZYHUDNBSSA-N	-1	0	253.298	0.786	20	30		CCEDRM
C=CCC[C@@H](NC(=O)C1=NN(C)C(=O)CC1)C(=O)[O-]	ZINC000262955914	632780048	/nfs/dbraw/zinc/78/00/48/632780048.db2.gz	RCTROLJGELINLL-SECBINFHSA-N	-1	0	267.285	0.130	20	30		CCEDRM
C=CCOC[C@H](NC(=O)c1cnn(CCC)c1)C(=O)[O-]	ZINC000263013810	632791628	/nfs/dbraw/zinc/79/16/28/632791628.db2.gz	NGVLZRLBAYIOHJ-NSHDSACASA-N	-1	0	281.312	0.679	20	30		CCEDRM
Cc1ccc(C(=O)NCc2n[nH]c(=O)[n-]2)cc1C#N	ZINC000799668799	632824031	/nfs/dbraw/zinc/82/40/31/632824031.db2.gz	GUUPVFLQIGGTPJ-UHFFFAOYSA-N	-1	0	257.253	0.620	20	30		CCEDRM
N#Cc1cc(N2C[C@@H](C(=O)[O-])[C@H](C3CC3)C2)ncn1	ZINC000900400371	634011781	/nfs/dbraw/zinc/01/17/81/634011781.db2.gz	MJWJDTYVZBHHGT-WDEREUQCSA-N	-1	0	258.281	0.895	20	30		CCEDRM
N#Cc1cc(N2CCO[C@H](C(=O)[O-])C2)nc(C2CC2)n1	ZINC000900940021	634131039	/nfs/dbraw/zinc/13/10/39/634131039.db2.gz	IVVFUUZUSPAKFL-JTQLQIEISA-N	-1	0	274.280	0.515	20	30		CCEDRM
Cn1nc(C(=O)[O-])cc1C=NO[C@H]1CCCCO1	ZINC000901205155	634208310	/nfs/dbraw/zinc/20/83/10/634208310.db2.gz	LZNHUECWWDDMHF-JTQLQIEISA-N	-1	0	253.258	0.995	20	30		CCEDRM
Cn1nc(C(=O)[O-])cc1C=NO[C@@H]1CCCCO1	ZINC000901205157	634208607	/nfs/dbraw/zinc/20/86/07/634208607.db2.gz	LZNHUECWWDDMHF-SNVBAGLBSA-N	-1	0	253.258	0.995	20	30		CCEDRM
N#CC1(C(=O)N2C[C@@H]3COC[C@]3(C(=O)[O-])C2)CC2(CC2)C1	ZINC000902060922	634307329	/nfs/dbraw/zinc/30/73/29/634307329.db2.gz	LGLWVIXCBDVQKV-MEBBXXQBSA-N	-1	0	290.319	0.630	20	30		CCEDRM
N#C[C@]1(C(=O)NCCOCC(=O)[O-])CC2CCC1CC2	ZINC000902298007	634360140	/nfs/dbraw/zinc/36/01/40/634360140.db2.gz	SWTVPKIFDWLTNY-QIMFLAQGSA-N	-1	0	280.324	0.924	20	30		CCEDRM
O=C([O-])[C@H]1C[C@@H](O)CN1C(=O)NCC#Cc1ccccc1	ZINC000908769348	635450993	/nfs/dbraw/zinc/45/09/93/635450993.db2.gz	WXVALUQGOMCXMN-CHWSQXEVSA-N	-1	0	288.303	0.268	20	30		CCEDRM
O=C([O-])[C@@]1(NC(=O)NCC#Cc2ccccc2)CCOC1	ZINC000908768175	635451251	/nfs/dbraw/zinc/45/12/51/635451251.db2.gz	GQEUCXVGHPAHQJ-OAHLLOKOSA-N	-1	0	288.303	0.581	20	30		CCEDRM
C=CC[C@H](CO)CNC(=O)C1(C(=O)[O-])CCCC1	ZINC000911651257	636333576	/nfs/dbraw/zinc/33/35/76/636333576.db2.gz	NXTILCYPVSVHJJ-JTQLQIEISA-N	-1	0	255.314	0.932	20	30		CCEDRM
C#CCN(C)S(=O)(=O)c1ccc(CC(=O)[O-])cc1	ZINC000164445367	636872291	/nfs/dbraw/zinc/87/22/91/636872291.db2.gz	ZAQUHOMEZFJKKY-UHFFFAOYSA-N	-1	0	267.306	0.567	20	30		CCEDRM
C#CCN(C)S(=O)(=O)c1ccc(OCC(=O)[O-])cc1	ZINC000164446047	636872909	/nfs/dbraw/zinc/87/29/09/636872909.db2.gz	ZTFLLJAKHVXYQT-UHFFFAOYSA-N	-1	0	283.305	0.404	20	30		CCEDRM
C#CCSCCNC(=O)N[C@@H](C(=O)[O-])C(C)C	ZINC000227419152	637025240	/nfs/dbraw/zinc/02/52/40/637025240.db2.gz	DGJAAGFQPSMYLV-SECBINFHSA-N	-1	0	258.343	0.761	20	30		CCEDRM
Cc1ccc(NN=C2C(=O)[N-]C(=O)NC2=O)cc1F	ZINC000921204735	638160119	/nfs/dbraw/zinc/16/01/19/638160119.db2.gz	OYWHVCPYJDTJOI-UHFFFAOYSA-N	-1	0	264.216	0.268	20	30		CCEDRM
Cn1cc(C#N)cc1C(=O)[N-]S(=O)(=O)CCCC#N	ZINC000181263022	638327233	/nfs/dbraw/zinc/32/72/33/638327233.db2.gz	LGIJUOYOKCCLDA-UHFFFAOYSA-N	-1	0	280.309	0.260	20	30		CCEDRM
CCO[C@H]1C[C@@H]1C(=O)[N-]S(=O)(=O)c1cnn(C)c1	ZINC000069642997	638398466	/nfs/dbraw/zinc/39/84/66/638398466.db2.gz	WSGFQGDEVHAIAU-IUCAKERBSA-N	-1	0	273.314	0.490	20	30		CCEDRM
C=CC[C@@H](CO)NC(=O)c1n[n-]c2ccccc2c1=O	ZINC000185813362	638787726	/nfs/dbraw/zinc/78/77/26/638787726.db2.gz	YICVBRKUAYQAPB-VIFPVBQESA-N	-1	0	273.292	0.590	20	30		CCEDRM
Cc1[nH]nc(C(=O)N2CCC[C@H](NCC#N)C2)c1[O-]	ZINC000998956385	638952356	/nfs/dbraw/zinc/95/23/56/638952356.db2.gz	VOYJYJFQDRIBEC-VIFPVBQESA-N	-1	0	263.301	0.142	20	30		CCEDRM
C[C@@H](CCC(=O)[O-])NC(=O)[C@@]1(C#N)CCCOC1	ZINC000923070809	640016347	/nfs/dbraw/zinc/01/63/47/640016347.db2.gz	XFTNOGUSOHMUHM-JOYOIKCWSA-N	-1	0	254.286	0.676	20	30		CCEDRM
N#C[C@]1(C(=O)NC2CC(C(=O)[O-])C2)CCCOC1	ZINC000923102661	640021992	/nfs/dbraw/zinc/02/19/92/640021992.db2.gz	YIVHNATTXOKFNJ-SHVIVCPWSA-N	-1	0	252.270	0.286	20	30		CCEDRM
N#C[C@@]1(C(=O)N[C@@H](CC(=O)[O-])C(F)(F)F)CCCOC1	ZINC000923112675	640024502	/nfs/dbraw/zinc/02/45/02/640024502.db2.gz	MVYNTZBEXPUKCR-XVKPBYJWSA-N	-1	0	294.229	0.829	20	30		CCEDRM
Cc1nnc([S-])n(N=Cc2cccc(C#N)c2)c1=O	ZINC000839391544	640315156	/nfs/dbraw/zinc/31/51/56/640315156.db2.gz	JYYFLNLASZMGNO-UHFFFAOYSA-N	-1	0	271.305	0.989	20	30		CCEDRM
N#CCCCCCC(=O)[N-]S(=O)(=O)c1cnccn1	ZINC000805894997	640439436	/nfs/dbraw/zinc/43/94/36/640439436.db2.gz	BIMMXGVUGYGLSP-UHFFFAOYSA-N	-1	0	282.325	0.756	20	30		CCEDRM
CC#CCS(=O)(=O)[N-]C(=O)c1cccc2c1OCCO2	ZINC000791110534	640444115	/nfs/dbraw/zinc/44/41/15/640444115.db2.gz	DXWOWDLXTGZLED-UHFFFAOYSA-N	-1	0	295.316	0.541	20	30		CCEDRM
Cc1oc(C#N)cc1C(=O)[N-]S(=O)(=O)c1ccnn1C	ZINC000797960574	640472178	/nfs/dbraw/zinc/47/21/78/640472178.db2.gz	WJOOKBCUSBRWTL-UHFFFAOYSA-N	-1	0	294.292	0.312	20	30		CCEDRM
CC#CCS(=O)(=O)[N-]C(=O)c1cn(C)nc1C(C)(C)C	ZINC000798202736	640485533	/nfs/dbraw/zinc/48/55/33/640485533.db2.gz	LGORBMZNQIPVMK-UHFFFAOYSA-N	-1	0	297.380	0.801	20	30		CCEDRM
N#CCCCS(=O)(=O)[N-]C(=O)c1coc(C2CC2)n1	ZINC000802126880	640687314	/nfs/dbraw/zinc/68/73/14/640687314.db2.gz	RARCTLLQAOLCTJ-UHFFFAOYSA-N	-1	0	283.309	0.915	20	30		CCEDRM
C[C@H](CCNS(=O)(=O)c1ccc(C#N)o1)C(=O)[O-]	ZINC000806634709	640793658	/nfs/dbraw/zinc/79/36/58/640793658.db2.gz	KUHOPORLNBAXCJ-SSDOTTSWSA-N	-1	0	272.282	0.540	20	30		CCEDRM
N#CCCCS(=O)(=O)[N-]C(=O)c1cccc(C#N)n1	ZINC000810656433	640944156	/nfs/dbraw/zinc/94/41/56/640944156.db2.gz	HACADHQQKUGQTK-UHFFFAOYSA-N	-1	0	278.293	0.317	20	30		CCEDRM
CC#CCS(=O)(=O)[N-]C(=O)c1ccnc2c1ncn2C	ZINC000810777956	640949332	/nfs/dbraw/zinc/94/93/32/640949332.db2.gz	RMLWNHWRXRQSOS-UHFFFAOYSA-N	-1	0	292.320	0.051	20	30		CCEDRM
N#CCCCC(=O)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])nc1	ZINC000813075435	641020680	/nfs/dbraw/zinc/02/06/80/641020680.db2.gz	YTINLTAZTZIAPK-UHFFFAOYSA-N	-1	0	298.280	0.489	20	30		CCEDRM
N#Cc1cncc(S(=O)(=O)[N-]C(=O)c2cncs2)c1	ZINC000813985464	641052102	/nfs/dbraw/zinc/05/21/02/641052102.db2.gz	AZHBSKMDCHSDTC-UHFFFAOYSA-N	-1	0	294.317	0.528	20	30		CCEDRM
Cc1nnc(NN=Cc2cnn(CC(F)F)c2)[n-]c1=O	ZINC000814215609	641060264	/nfs/dbraw/zinc/06/02/64/641060264.db2.gz	QSEBLYMAVZWQRZ-UHFFFAOYSA-N	-1	0	283.242	0.793	20	30		CCEDRM
O=c1[n-][nH]c(=O)n1N=Cc1ccc(Br)cn1	ZINC000814232757	641062074	/nfs/dbraw/zinc/06/20/74/641062074.db2.gz	KVQBTOYKWYQYMD-UHFFFAOYSA-N	-1	0	284.073	0.729	20	30		CCEDRM
N#CC1(CC(=O)[N-]S(=O)(=O)Cc2cccnc2)CC1	ZINC000816013368	641136273	/nfs/dbraw/zinc/13/62/73/641136273.db2.gz	MOSJTNHFASRMJL-UHFFFAOYSA-N	-1	0	279.321	0.721	20	30		CCEDRM
N#CC(C(=O)NC1CC1)=C([O-])c1cc2c(cn1)OCCO2	ZINC000819944622	641441469	/nfs/dbraw/zinc/44/14/69/641441469.db2.gz	OLIPLWCHBVKCGY-VIFPVBQESA-N	-1	0	287.275	0.454	20	30		CCEDRM
O=C(N[C@H]1CCN(O)C1=O)c1cccc(Cl)c1[O-]	ZINC000820150323	641474497	/nfs/dbraw/zinc/47/44/97/641474497.db2.gz	YHQIVAOVPPXPNQ-QMMMGPOBSA-N	-1	0	270.672	0.766	20	30		CCEDRM
Cc1nc(C)c(/C=C\C(=O)c2cnc([O-])n(C)c2=O)o1	ZINC000821039118	641558171	/nfs/dbraw/zinc/55/81/71/641558171.db2.gz	PKHPSQBXSNINDX-PLNGDYQASA-N	-1	0	275.264	0.987	20	30		CCEDRM
CSc1ccc(C(=O)[N-]S(=O)(=O)CCC#N)o1	ZINC000821582732	641611039	/nfs/dbraw/zinc/61/10/39/641611039.db2.gz	VUZKKCCLVZLRPA-UHFFFAOYSA-N	-1	0	274.323	0.975	20	30		CCEDRM
N#CCCS(=O)(=O)[N-]C(=O)Cc1cccs1	ZINC000821583830	641611171	/nfs/dbraw/zinc/61/11/71/641611171.db2.gz	IYKKBMJKXQXQQF-UHFFFAOYSA-N	-1	0	258.324	0.650	20	30		CCEDRM
C[C@@H](CN(C)C(=O)[O-])C(=O)N[C@]1(C#N)CCSC1	ZINC000824848327	641849135	/nfs/dbraw/zinc/84/91/35/641849135.db2.gz	NOQLNZURHFJIQL-KWQFWETISA-N	-1	0	271.342	0.748	20	30		CCEDRM
Cn1c(C#N)ccc1C(=O)[N-]S(=O)(=O)C1CCCC1	ZINC000835211169	642652964	/nfs/dbraw/zinc/65/29/64/642652964.db2.gz	BTPDNNWXTCIYAW-UHFFFAOYSA-N	-1	0	281.337	0.899	20	30		CCEDRM
C#CCO[C@@H](C)C(=O)[N-]S(=O)(=O)c1ccc(F)cn1	ZINC000836044091	642682979	/nfs/dbraw/zinc/68/29/79/642682979.db2.gz	OVDMGMZWOSTFMS-QMMMGPOBSA-N	-1	0	286.284	0.064	20	30		CCEDRM
C[S@](=O)(=NS(=O)(=O)[N-]CCC#N)c1ccccc1	ZINC000867201342	642715775	/nfs/dbraw/zinc/71/57/75/642715775.db2.gz	JCJWDXBAYVSDON-QGZVFWFLSA-N	-1	0	287.366	0.891	20	30		CCEDRM
N#CC1(CS(=O)(=O)NC[C@@H](F)C(=O)[O-])CCCCC1	ZINC000837295235	642735551	/nfs/dbraw/zinc/73/55/51/642735551.db2.gz	RDHXNSQHSKYWQR-SECBINFHSA-N	-1	0	292.332	0.803	20	30		CCEDRM
C[C@@H](O)CN(C)N=Cc1ccccc1OCC(=O)[O-]	ZINC000841651337	642827873	/nfs/dbraw/zinc/82/78/73/642827873.db2.gz	FRGBJHBRMZDDDG-SNVBAGLBSA-N	-1	0	266.297	0.797	20	30		CCEDRM
N#CCCS(=O)(=O)[N-]C(=O)[C@H]1CCc2ccccc2O1	ZINC000842354791	642893601	/nfs/dbraw/zinc/89/36/01/642893601.db2.gz	RWAMVBDDRJTHBJ-GFCCVEGCSA-N	-1	0	294.332	0.740	20	30		CCEDRM
C[C@H](C#N)CN(C)S(=O)(=O)N[C@H](CC1CC1)C(=O)[O-]	ZINC000844797075	643249394	/nfs/dbraw/zinc/24/93/94/643249394.db2.gz	AOWXHJZXOHMRGL-PSASIEDQSA-N	-1	0	289.357	0.166	20	30		CCEDRM
N#CCCCCC(=O)[N-]S(=O)(=O)[C@@H]1CCCOC1	ZINC000847676508	643545771	/nfs/dbraw/zinc/54/57/71/643545771.db2.gz	OEPBEDZAKNQXQD-SNVBAGLBSA-N	-1	0	274.342	0.695	20	30		CCEDRM
O=C([O-])Cn1cc(/C=C2/S/C(=N/C3CC3)NC2=O)nn1	ZINC000849252149	643721969	/nfs/dbraw/zinc/72/19/69/643721969.db2.gz	QQQZICGIEMYZJY-FPYGCLRLSA-N	-1	0	293.308	0.085	20	30		CCEDRM
C[C@@H](CC#N)C(=O)[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-]	ZINC000850730307	643810119	/nfs/dbraw/zinc/81/01/19/643810119.db2.gz	APARKIQJAKBXST-QMMMGPOBSA-N	-1	0	297.292	0.949	20	30		CCEDRM
C[C@@H](CC#N)C(=O)[N-]S(=O)(=O)c1ccccn1	ZINC000850847779	643818011	/nfs/dbraw/zinc/81/80/11/643818011.db2.gz	ITHKWZZDIRPAPN-QMMMGPOBSA-N	-1	0	253.283	0.436	20	30		CCEDRM
C[C@H](CC#N)C(=O)[N-]S(=O)(=O)CC(F)(F)F	ZINC000850865091	643819028	/nfs/dbraw/zinc/81/90/28/643819028.db2.gz	JYFOKCSMCIRSNE-RXMQYKEDSA-N	-1	0	258.221	0.544	20	30		CCEDRM
C[C@@H](CC#N)C(=O)[N-]S(=O)(=O)CC(C)(C)C#N	ZINC000850930910	643822594	/nfs/dbraw/zinc/82/25/94/643822594.db2.gz	ZSZYDEAAUSTJGJ-QMMMGPOBSA-N	-1	0	257.315	0.532	20	30		CCEDRM
N#CCCCS(=O)(=O)[N-]C(=O)c1cnc2n1CCC2	ZINC000850927076	643822786	/nfs/dbraw/zinc/82/27/86/643822786.db2.gz	YPBGBRLZRHYYPX-UHFFFAOYSA-N	-1	0	282.325	0.193	20	30		CCEDRM
N#CCCCS(=O)(=O)[N-]C(=O)c1ccnn1C(F)F	ZINC000850925658	643822994	/nfs/dbraw/zinc/82/29/94/643822994.db2.gz	AGDQKMXXLLFIRW-UHFFFAOYSA-N	-1	0	292.267	0.642	20	30		CCEDRM
N#Cc1cncc(S(=O)(=O)[N-]C(=O)CCCF)c1	ZINC000851041298	643828874	/nfs/dbraw/zinc/82/88/74/643828874.db2.gz	RNBAQSCCZXKTKG-UHFFFAOYSA-N	-1	0	271.273	0.508	20	30		CCEDRM
N#Cc1ccc(CC(=O)[N-]S(=O)(=O)CC(F)F)cc1	ZINC000851360451	643842438	/nfs/dbraw/zinc/84/24/38/643842438.db2.gz	VELLZAVKJOJFNT-UHFFFAOYSA-N	-1	0	288.275	0.812	20	30		CCEDRM
Cc1nnc([S-])n(N=Cc2ccnn2CC2CC2)c1=O	ZINC000853266547	644095130	/nfs/dbraw/zinc/09/51/30/644095130.db2.gz	JARMIGCOLXHJKK-UHFFFAOYSA-N	-1	0	290.352	0.724	20	30		CCEDRM
Cc1nnc(N=NCc2cc(C(=O)[O-])c(C)[nH]2)n1C	ZINC000853432063	644104521	/nfs/dbraw/zinc/10/45/21/644104521.db2.gz	NPXATLINTGDMEQ-UHFFFAOYSA-N	-1	0	262.273	0.904	20	30		CCEDRM
N#CCCS(=O)(=O)[N-]C(=O)Cn1ccc(C(F)F)n1	ZINC000860751295	644826378	/nfs/dbraw/zinc/82/63/78/644826378.db2.gz	BAGWDRWCHYWVNW-UHFFFAOYSA-N	-1	0	292.267	0.180	20	30		CCEDRM
CS(=O)(=O)[N-]c1ccccc1C(=O)OCC#N	ZINC000018263293	650966221	/nfs/dbraw/zinc/96/62/21/650966221.db2.gz	LDCRLXRUESOPMM-UHFFFAOYSA-N	-1	0	254.267	0.738	20	30		CCEDRM
O=C([O-])COc1ccc(C=NN2CCOC2=O)cc1	ZINC000863162625	645064714	/nfs/dbraw/zinc/06/47/14/645064714.db2.gz	RZFCEGMRILQJIL-UHFFFAOYSA-N	-1	0	264.237	0.936	20	30		CCEDRM
CC(=O)C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)[O-]	ZINC000863411442	645093202	/nfs/dbraw/zinc/09/32/02/645093202.db2.gz	YAXOJBYLXWVIEV-NSHDSACASA-N	-1	0	296.304	0.269	20	30		CCEDRM
N#CC1(CS(=O)(=O)N2CC3CC2(CCC(=O)[O-])C3)CC1	ZINC000864455646	645228560	/nfs/dbraw/zinc/22/85/60/645228560.db2.gz	WRVALEYGWKRRKB-UHFFFAOYSA-N	-1	0	298.364	0.949	20	30		CCEDRM
C[C@H](C(=O)[O-])C(=O)N[C@@H]1Cc2ccc(C#N)cc2C1	ZINC000868466449	645773145	/nfs/dbraw/zinc/77/31/45/645773145.db2.gz	UQCDMXRSRUGUFC-QPUJVOFHSA-N	-1	0	258.277	0.862	20	30		CCEDRM
N#CC(C(=O)NC1CC1)=C([O-])c1cncc(N2CCCC2)n1	ZINC000870142286	645964597	/nfs/dbraw/zinc/96/45/97/645964597.db2.gz	IDORLMVEVNGUIF-LLVKDONJSA-N	-1	0	299.334	0.678	20	30		CCEDRM
N#CCCS(=O)(=O)[N-]C(=O)C1(C(F)F)CCC1	ZINC000870351606	645984515	/nfs/dbraw/zinc/98/45/15/645984515.db2.gz	RWKYQGNWHVQHLN-UHFFFAOYSA-N	-1	0	266.269	0.781	20	30		CCEDRM
N#CCCn1[n-]c2c(c1=O)CN(Cc1ccccc1)C2=O	ZINC000871942037	646197022	/nfs/dbraw/zinc/19/70/22/646197022.db2.gz	MRPOABPNMUMILZ-LBPRGKRZSA-N	-1	0	282.303	0.757	20	30		CCEDRM
N#Cc1cn(CC(=O)N2CCC[C@@H](CF)C2)c(=O)[n-]c1=O	ZINC000881606785	647328460	/nfs/dbraw/zinc/32/84/60/647328460.db2.gz	YQEPEDXZWYGWSO-VIFPVBQESA-N	-1	0	294.286	0.029	20	30		CCEDRM
CCO[C@H](CC)C(=O)[N-]S(=O)(=O)c1cnn(C)c1	ZINC000049004377	649328999	/nfs/dbraw/zinc/32/89/99/649328999.db2.gz	QDRFCDPAMZKEJF-SECBINFHSA-N	-1	0	275.330	0.880	20	30		CCEDRM
C=CCN(CC(=O)[O-])C(=O)c1ccc2nncn2c1	ZINC000191254822	649470140	/nfs/dbraw/zinc/47/01/40/649470140.db2.gz	FXALAMZQELTANO-UHFFFAOYSA-N	-1	0	260.253	0.442	20	30		CCEDRM
COCCCNC(=O)C(C#N)=C([O-])c1ccc(C)n1C	ZINC000193361228	649534919	/nfs/dbraw/zinc/53/49/19/649534919.db2.gz	IYJROSRPRJSIAJ-LLVKDONJSA-N	-1	0	277.324	0.809	20	30		CCEDRM
C=CCN(CC(=O)[O-])C(=O)c1ccn(C)c(=O)c1	ZINC000092461889	649723775	/nfs/dbraw/zinc/72/37/75/649723775.db2.gz	JGSVSGXQFFQWLM-UHFFFAOYSA-N	-1	0	250.254	0.098	20	30		CCEDRM
C#CCC1(NC(=O)CCCC(=O)[O-])CCOCC1	ZINC001588391495	958023236	/nfs/dbraw/zinc/02/32/36/958023236.db2.gz	IIKDYAXLIARHLU-UHFFFAOYSA-N	-1	0	253.298	0.930	20	30		CCEDRM
C#C[C@@H](NC(=O)NCC(=O)[N-]OC)c1ccc(F)cc1	ZINC001230478618	805604159	/nfs/dbraw/zinc/60/41/59/805604159.db2.gz	KWIBZNPOCXJEKX-LLVKDONJSA-N	-1	0	279.271	0.477	20	30		CCEDRM
C#CC1CCN(C(=O)[C@H]2CC[C@@H](C(=O)[O-])O2)CC1	ZINC000692402585	791682952	/nfs/dbraw/zinc/68/29/52/791682952.db2.gz	WDIIFRBPPLGMKX-MNOVXSKESA-N	-1	0	251.282	0.490	20	30		CCEDRM
C#C[C@H](CC)Oc1c(C(=O)OC)n[n-]c1C(=O)OC	ZINC001234191229	806200962	/nfs/dbraw/zinc/20/09/62/806200962.db2.gz	XYVHNNRHTXBJOK-SSDOTTSWSA-N	-1	0	266.253	0.774	20	30		CCEDRM
C=C[C@H](Oc1c([O-])c(=O)c(=O)c(=O)c1=O)c1ccccc1	ZINC001234379407	806235163	/nfs/dbraw/zinc/23/51/63/806235163.db2.gz	TUINKALYCCDMTO-VIFPVBQESA-N	-1	0	286.239	0.015	20	30		CCEDRM
COc1cc(OC(=O)[C@@H](O)CC(=O)[O-])ccc1C#N	ZINC001234499039	806262063	/nfs/dbraw/zinc/26/20/63/806262063.db2.gz	KBHDETKKTWNJNM-VIFPVBQESA-N	-1	0	265.221	0.308	20	30		CCEDRM
N#Cc1c(OC(=O)[C@@H](O)CC(=O)[O-])cnc2ccccc21	ZINC001234854505	806309300	/nfs/dbraw/zinc/30/93/00/806309300.db2.gz	ITUKXVZTKNHHDT-NSHDSACASA-N	-1	0	286.243	0.847	20	30		CCEDRM
C=CCn1c(-c2cc(=O)[nH][n-]2)nnc1N1CC[C@H](C)[C@@H]1C	ZINC001121561372	799057725	/nfs/dbraw/zinc/05/77/25/799057725.db2.gz	AYVWBFLZMDUPDJ-UWVGGRQHSA-N	-1	0	288.355	0.923	20	30		CCEDRM
COCCNC(=O)C(C#N)=C([O-])c1ccsn1	ZINC001122541349	799259110	/nfs/dbraw/zinc/25/91/10/799259110.db2.gz	PXJWYHXMAMTDKR-ZETCQYMHSA-N	-1	0	253.283	0.228	20	30		CCEDRM
Cn1ccnc1C(=O)C(C#N)=C([O-])c1cncn1C	ZINC001122727291	799291324	/nfs/dbraw/zinc/29/13/24/799291324.db2.gz	DGGUNHQRWAPMAR-MRVPVSSYSA-N	-1	0	257.253	0.359	20	30		CCEDRM
N=C(c1ccccc1N)N(O)C(=O)C1(C(N)=O)CC1	ZINC001143167741	800202236	/nfs/dbraw/zinc/20/22/36/800202236.db2.gz	ZGUCYFNYZUGVKX-UHFFFAOYSA-N	-1	0	262.269	0.077	20	30		CCEDRM
C=C[C@H](O)C(=O)N[C@@H](Cc1ccccc1)c1n[nH]c(=O)[n-]1	ZINC001151368137	800419886	/nfs/dbraw/zinc/41/98/86/800419886.db2.gz	CPJYAVBIHJFPFI-QWRGUYRKSA-N	-1	0	288.307	0.457	20	30		CCEDRM
C=C[C@H](O)C(=O)N[C@H](Cc1ccccc1)c1n[nH]c(=O)[n-]1	ZINC001151368136	800420466	/nfs/dbraw/zinc/42/04/66/800420466.db2.gz	CPJYAVBIHJFPFI-MNOVXSKESA-N	-1	0	288.307	0.457	20	30		CCEDRM
C=CCCC(=O)NCCC[NH2+]Cc1n[nH]c(=O)[n-]1	ZINC001155586848	801017181	/nfs/dbraw/zinc/01/71/81/801017181.db2.gz	MPHPKZURUHSIRM-UHFFFAOYSA-N	-1	0	253.306	0.072	20	30		CCEDRM
CCC(CC)(NC(=O)[C@@H](C)CC#N)c1nnn[n-]1	ZINC001156920483	801264291	/nfs/dbraw/zinc/26/42/91/801264291.db2.gz	SKLVZHWDUUBOQY-QMMMGPOBSA-N	-1	0	250.306	0.881	20	30		CCEDRM
Cc1ncc(Nc2nnc(Cl)cc2C#N)c(=O)[nH]1	ZINC001162297495	802302947	/nfs/dbraw/zinc/30/29/47/802302947.db2.gz	DFUZFYOSTVLSJB-ZETCQYMHSA-N	-1	0	262.660	0.812	20	30		CCEDRM
COCCS(=O)(=O)[N-]c1nc2ncccc2cc1C#N	ZINC001259965772	808828219	/nfs/dbraw/zinc/82/82/19/808828219.db2.gz	NMEZQEBQKXGAMS-UHFFFAOYSA-N	-1	0	292.320	0.890	20	30		CCEDRM
C=C(C)COCCNS(=O)(=O)[C@H]1CCC[C@H]1C(=O)[O-]	ZINC001465107958	804094795	/nfs/dbraw/zinc/09/47/95/804094795.db2.gz	WESWQRMDLXNWLK-MNOVXSKESA-N	-1	0	291.369	0.752	20	30		CCEDRM
N#Cc1ccc(C(=O)N2Cc3n[nH]c(C(N)=O)c3C2)c([O-])c1	ZINC001276865096	804956609	/nfs/dbraw/zinc/95/66/09/804956609.db2.gz	QLTSJUVUCVVDHM-UHFFFAOYSA-N	-1	0	297.274	0.242	20	30		CCEDRM
N#Cc1cccc(OCCOC(=O)[C@H](O)CC(=O)[O-])c1	ZINC001224314312	805026087	/nfs/dbraw/zinc/02/60/87/805026087.db2.gz	SHRJIYLBYCMIIX-LLVKDONJSA-N	-1	0	279.248	0.316	20	30		CCEDRM
C=CCOC[C@@H](CS(=O)(=O)[O-])OCCC1OCCO1	ZINC001224499712	805041769	/nfs/dbraw/zinc/04/17/69/805041769.db2.gz	SMGFMHYEJSHQGA-JTQLQIEISA-N	-1	0	296.341	0.225	20	30		CCEDRM
CC(C)(C)OC(=O)N1C[C@@H](C#N)[C@H](OCC(=O)[O-])C1	ZINC001225022577	805101492	/nfs/dbraw/zinc/10/14/92/805101492.db2.gz	QRMDWQPBWREPJS-RKDXNWHRSA-N	-1	0	270.285	0.847	20	30		CCEDRM
C=CCOC[C@@H](CS(=O)(=O)[O-])Oc1nccc(C)n1	ZINC001225630084	805146484	/nfs/dbraw/zinc/14/64/84/805146484.db2.gz	FVNJGAVBXRIBMX-JTQLQIEISA-N	-1	0	288.325	0.623	20	30		CCEDRM
C=CCOC[C@@H](CS(=O)(=O)[O-])Oc1ccc(C)nn1	ZINC001225646667	805147657	/nfs/dbraw/zinc/14/76/57/805147657.db2.gz	ZXVPBPZZPOYBTM-JTQLQIEISA-N	-1	0	288.325	0.623	20	30		CCEDRM
C=C[C@H](CC(=O)OC(C)(C)C)Oc1c([O-])c(=O)c(=O)c1=O	ZINC001225833716	805168617	/nfs/dbraw/zinc/16/86/17/805168617.db2.gz	NFMSTMZTXUAWMF-SSDOTTSWSA-N	-1	0	296.275	0.014	20	30		CCEDRM
Cc1ccc(C#N)c(OC(=O)[C@H](O)CC(=O)[O-])n1	ZINC001225860679	805170743	/nfs/dbraw/zinc/17/07/43/805170743.db2.gz	PKOOSJSGABEIBT-MRVPVSSYSA-N	-1	0	250.210	0.003	20	30		CCEDRM
N#Cc1cccnc1N1CCC(Oc2c([O-])c(=O)c2=O)CC1	ZINC001226605632	805255476	/nfs/dbraw/zinc/25/54/76/805255476.db2.gz	ISXJVMISZLXALA-UHFFFAOYSA-N	-1	0	299.286	0.303	20	30		CCEDRM
N#CCCN1CC(Oc2[n-]c(=O)nc3nc[nH]c32)C1	ZINC001227070358	805318506	/nfs/dbraw/zinc/31/85/06/805318506.db2.gz	OVSCHJNMFNBAQS-UHFFFAOYSA-N	-1	0	260.257	0.035	20	30		CCEDRM
N#Cc1cc(Cl)ccc1OC(=O)[C@@H](O)CC(=O)[O-]	ZINC001227205661	805331332	/nfs/dbraw/zinc/33/13/32/805331332.db2.gz	PPLULWUBXHUVEI-QMMMGPOBSA-N	-1	0	269.640	0.953	20	30		CCEDRM
C=C[C@@H]1O[C@H](Oc2nc(=O)[n-]c(=O)[nH]2)[C@H]2OC(C)(C)O[C@@H]12	ZINC001227571891	805366848	/nfs/dbraw/zinc/36/68/48/805366848.db2.gz	ZJEHAIFDIDHTFZ-DKXJUACHSA-N	-1	0	297.267	0.093	20	30		CCEDRM
C=CCOC[C@H](CS(=O)(=O)[O-])Oc1cn[nH]c1	ZINC001228324332	805438299	/nfs/dbraw/zinc/43/82/99/805438299.db2.gz	FOGFMDOOGPOMEE-SECBINFHSA-N	-1	0	262.287	0.248	20	30		CCEDRM
CN1[C@@H]2C[C@@H](Oc3[n-]ncc(=O)c3Cl)C[C@H]1[C@@H]1O[C@@H]12	ZINC001228386354	805442457	/nfs/dbraw/zinc/44/24/57/805442457.db2.gz	AJMHKTYTFLMXPI-QBEQFSANSA-N	-1	0	283.715	0.827	20	30		CCEDRM
CC[C@@H](C#CC(=O)OC)Oc1nc(O)cc(=O)[n-]1	ZINC001228393215	805443676	/nfs/dbraw/zinc/44/36/76/805443676.db2.gz	XTVUCEVVWSDVCT-ZETCQYMHSA-N	-1	0	252.226	0.222	20	30		CCEDRM
N#Cc1ccc([N+](=O)[O-])cc1OC(=O)[C@H](O)CC(=O)[O-]	ZINC001228922646	805489142	/nfs/dbraw/zinc/48/91/42/805489142.db2.gz	HFNHARRLWDDERT-MRVPVSSYSA-N	-1	0	280.192	0.207	20	30		CCEDRM
N#Cc1cc(F)cc(OC(=O)[C@H](O)CCC(=O)[O-])c1	ZINC001229035613	805498525	/nfs/dbraw/zinc/49/85/25/805498525.db2.gz	YIMMNAWFTNCCOG-SNVBAGLBSA-N	-1	0	267.212	0.828	20	30		CCEDRM
C=C[C@](C)(O)CNc1ccc(S(=O)(=O)[N-]C(N)=O)cc1	ZINC001252567360	807912233	/nfs/dbraw/zinc/91/22/33/807912233.db2.gz	WHBQVQNWHMYSEC-LBPRGKRZSA-N	-1	0	299.352	0.393	20	30		CCEDRM
CCS(=O)(=O)[N-]c1c(C#N)cnc2ccnn21	ZINC001253276954	808041839	/nfs/dbraw/zinc/04/18/39/808041839.db2.gz	CBQAIVCKMJUIRN-UHFFFAOYSA-N	-1	0	251.271	0.363	20	30		CCEDRM
C=C[C@H](O)CNc1ccc(S(=O)(=O)[N-]C(N)=O)cc1	ZINC001253594910	808094482	/nfs/dbraw/zinc/09/44/82/808094482.db2.gz	ZOEWDSOLCITING-VIFPVBQESA-N	-1	0	285.325	0.002	20	30		CCEDRM
N#CCCCc1cn(CCOCCOCCC(=O)[O-])nn1	ZINC001254089399	808179207	/nfs/dbraw/zinc/17/92/07/808179207.db2.gz	YMNLJOICAJFLTF-UHFFFAOYSA-N	-1	0	296.327	0.632	20	30		CCEDRM
Cc1noc(C)c1S(=O)(=O)[N-]c1oncc1C#N	ZINC001258511217	808693527	/nfs/dbraw/zinc/69/35/27/808693527.db2.gz	MENOLAOZEGJXEP-UHFFFAOYSA-N	-1	0	268.254	0.952	20	30		CCEDRM
COC(=O)CS(=O)(=O)[N-]c1occ(C)c1C#N	ZINC001259020342	808720392	/nfs/dbraw/zinc/72/03/92/808720392.db2.gz	PROVATLNOXVOGL-UHFFFAOYSA-N	-1	0	258.255	0.374	20	30		CCEDRM
COC(=O)CS(=O)(=O)N[C@@](C)(C#N)CC(C)C	ZINC001259033223	808728517	/nfs/dbraw/zinc/72/85/17/808728517.db2.gz	GMSZHRNUKFLQDB-SNVBAGLBSA-N	-1	0	262.331	0.407	20	30		CCEDRM
COC(=O)[C@H](CS)NS(=O)(=O)CC1CCCCC1	ZINC001259621263	808765885	/nfs/dbraw/zinc/76/58/85/808765885.db2.gz	VJRODBUSIGKSCQ-JTQLQIEISA-N	-1	0	295.426	0.958	20	30		CCEDRM
C=CCS(=O)(=O)[N-]c1scnc1C(=O)OC	ZINC001259923315	808805121	/nfs/dbraw/zinc/80/51/21/808805121.db2.gz	CQTCPHBIIGCFAN-UHFFFAOYSA-N	-1	0	262.312	0.857	20	30		CCEDRM
C=CCS(=O)(=O)[N-]c1cc(C(=O)OCC)no1	ZINC001259924126	808805455	/nfs/dbraw/zinc/80/54/55/808805455.db2.gz	MEEBFDQGQFVJQY-UHFFFAOYSA-N	-1	0	260.271	0.779	20	30		CCEDRM
C#Cc1cc([N-]S(=O)(=O)c2ccn(C)n2)ccn1	ZINC001259937650	808812746	/nfs/dbraw/zinc/81/27/46/808812746.db2.gz	HWJLPUHUJZJQEN-UHFFFAOYSA-N	-1	0	262.294	0.019	20	30		CCEDRM
Cc1nc(C#N)cnc1[N-]S(=O)(=O)c1cn[nH]c1	ZINC001260954608	808887048	/nfs/dbraw/zinc/88/70/48/808887048.db2.gz	UALIQDZZRWIKJO-UHFFFAOYSA-N	-1	0	264.270	0.181	20	30		CCEDRM
C=CC1(S(=O)(=O)[N-]C(=O)COC(F)F)CC1	ZINC001261886120	809120073	/nfs/dbraw/zinc/12/00/73/809120073.db2.gz	UNBWHZIJNRKXSO-UHFFFAOYSA-N	-1	0	255.242	0.390	20	30		CCEDRM
C[C@H]1CCC[C@H](Nc2[n-]c(=O)n(C)c(=O)c2C#N)C1	ZINC001262678147	809392054	/nfs/dbraw/zinc/39/20/54/809392054.db2.gz	QATNWMQXBLZMNS-IUCAKERBSA-N	-1	0	262.313	0.936	20	30		CCEDRM
CNC(=O)C(C#N)=C([O-])c1cc(OC(F)F)n(C)n1	ZINC001263292478	809504106	/nfs/dbraw/zinc/50/41/06/809504106.db2.gz	HOLIPUJYLJHUMC-RXMQYKEDSA-N	-1	0	272.211	0.090	20	30		CCEDRM
CCCn1ncc(C([O-])=C(C#N)C(=O)NCCOC)c1C	ZINC001263305764	809506239	/nfs/dbraw/zinc/50/62/39/809506239.db2.gz	GVSXRHIWGCAFKC-LLVKDONJSA-N	-1	0	292.339	0.687	20	30		CCEDRM
C=C(C)CCC(=O)N1CC(n2cc(C(=O)[O-])nn2)C1	ZINC001263630753	809543608	/nfs/dbraw/zinc/54/36/08/809543608.db2.gz	WRGHREGMSSZHJP-UHFFFAOYSA-N	-1	0	264.285	0.716	20	30		CCEDRM
C=CCOC[C@@H](CS(=O)(=O)[O-])OCc1nnc(C)o1	ZINC001222251408	811870946	/nfs/dbraw/zinc/87/09/46/811870946.db2.gz	YSNUPCPWCBEDRY-VIFPVBQESA-N	-1	0	292.313	0.354	20	30		CCEDRM
C[C@@]1(C#N)CN(S(=O)(=O)c2ccccc2[O-])CCO1	ZINC000907499014	815537874	/nfs/dbraw/zinc/53/78/74/815537874.db2.gz	WIYXSCSNUXEIFI-GFCCVEGCSA-N	-1	0	282.321	0.695	20	30		CCEDRM
C=CCOC[C@H](CS(=O)(=O)[O-])OCCOC	ZINC001204969967	813934269	/nfs/dbraw/zinc/93/42/69/813934269.db2.gz	AGNMPRCECVRZRK-SECBINFHSA-N	-1	0	254.304	0.108	20	30		CCEDRM
C=C(Cl)CN1CC(NC(=O)c2c(C)nc[nH]c2=O)C1	ZINC001030819166	816316056	/nfs/dbraw/zinc/31/60/56/816316056.db2.gz	VSGNLEGCHCUIFM-UHFFFAOYSA-N	-1	0	282.731	0.657	20	30		CCEDRM
CCc1cc(C)c(C#N)c(OC(=O)[C@H](O)CC(=O)[O-])n1	ZINC001233554098	816335024	/nfs/dbraw/zinc/33/50/24/816335024.db2.gz	QFEKIPAAWILCCD-SNVBAGLBSA-N	-1	0	278.264	0.565	20	30		CCEDRM
N#Cc1nc(NC(=O)Cn2cc(Cl)cn2)[n-]c1C#N	ZINC000351262487	816664949	/nfs/dbraw/zinc/66/49/49/816664949.db2.gz	YMGLEAALPCFAMR-UHFFFAOYSA-N	-1	0	275.659	0.642	20	30		CCEDRM
Nc1nonc1C(=Nc1cc(F)cc(F)c1[O-])NO	ZINC001212477474	818182725	/nfs/dbraw/zinc/18/27/25/818182725.db2.gz	FXMOJEWQPAXFOD-UHFFFAOYSA-N	-1	0	271.183	0.693	20	30		CCEDRM
N#Cc1cc(F)c(F)cc1OC(=O)[C@H](O)CC(=O)[O-]	ZINC001229838435	818515537	/nfs/dbraw/zinc/51/55/37/818515537.db2.gz	QATWAYMONUGAPD-MRVPVSSYSA-N	-1	0	271.175	0.577	20	30		CCEDRM
C=CCC[C@H](NC(=O)Cc1ccn(C)n1)C(=O)[O-]	ZINC000710104020	819820941	/nfs/dbraw/zinc/82/09/41/819820941.db2.gz	UEPHPVNYBGWWEK-JTQLQIEISA-N	-1	0	251.286	0.498	20	30		CCEDRM
C#C[C@@](C)(CC)NC(=O)c1ccc(-c2nn[nH]n2)cn1	ZINC000822635813	821491897	/nfs/dbraw/zinc/49/18/97/821491897.db2.gz	QCEJPRSUENOLCN-ZDUSSCGKSA-N	-1	0	270.296	0.793	20	30		CCEDRM
N#CC1(CS(=O)(=O)[N-]C(=O)C2CC=CC2)CC1	ZINC000793204086	837407084	/nfs/dbraw/zinc/40/70/84/837407084.db2.gz	NTZFDMWCLPDCGI-UHFFFAOYSA-N	-1	0	254.311	0.702	20	30		CCEDRM
Cc1cccc(C(=O)[N-]S(=O)(=O)CC2(C#N)CC2)n1	ZINC000793203640	837407285	/nfs/dbraw/zinc/40/72/85/837407285.db2.gz	ARISYKMQZZVNIF-UHFFFAOYSA-N	-1	0	279.321	0.753	20	30		CCEDRM
N#CC1(CS(=O)(=O)[N-]C(=O)CCC(F)F)CC1	ZINC000793205250	837407303	/nfs/dbraw/zinc/40/73/03/837407303.db2.gz	UPAQKQZKNVGHPJ-UHFFFAOYSA-N	-1	0	266.269	0.781	20	30		CCEDRM
N#Cc1ncn(CCNC(=O)c2cccc(Cl)c2[O-])n1	ZINC000804621286	837549129	/nfs/dbraw/zinc/54/91/29/837549129.db2.gz	PLXUKWVZNMFHDG-UHFFFAOYSA-N	-1	0	291.698	0.939	20	30		CCEDRM
C[C@@H](NC(=O)c1cn[nH]n1)[C@H](C)Nc1cncc(C#N)n1	ZINC001113356505	837095984	/nfs/dbraw/zinc/09/59/84/837095984.db2.gz	IKRYGZLKNQBCRQ-JGVFFNPUSA-N	-1	0	286.299	0.085	20	30		CCEDRM
C[C@@H](NC(=O)c1cn[nH]n1)[C@@H](C)Nc1nccnc1C#N	ZINC001113356272	837097151	/nfs/dbraw/zinc/09/71/51/837097151.db2.gz	DMXZZFLLKKITKQ-HTQZYQBOSA-N	-1	0	286.299	0.085	20	30		CCEDRM
Cc1ccc(S(=O)(=O)N[C@@H](C)C#N)cc1C(=O)[O-]	ZINC001184721805	844277329	/nfs/dbraw/zinc/27/73/29/844277329.db2.gz	ZIHSZTDFCFPQBS-QMMMGPOBSA-N	-1	0	268.294	0.884	20	30		CCEDRM
N#Cc1ccc(NC(=O)N[C@H]2SC(=O)[N-]C2=O)cc1	ZINC001184763135	844283766	/nfs/dbraw/zinc/28/37/66/844283766.db2.gz	SFBLCQLEJPZABN-VIFPVBQESA-N	-1	0	276.277	0.989	20	30		CCEDRM
CSc1ncc([O-])c(C(=O)N=C(N)c2nccs2)n1	ZINC001185188130	844358524	/nfs/dbraw/zinc/35/85/24/844358524.db2.gz	SQDNZLXVPARVMG-UHFFFAOYSA-N	-1	0	295.349	0.906	20	30		CCEDRM
CO[N-]C(=O)CNC(=O)[C@@H](CC#N)c1ccccc1	ZINC001134416831	838974171	/nfs/dbraw/zinc/97/41/71/838974171.db2.gz	BVBBXAISASTPGH-NSHDSACASA-N	-1	0	261.281	0.478	20	30		CCEDRM
CCc1cc(C(=O)Nc2nc(C#N)c(C#N)[n-]2)n(C)n1	ZINC001143814481	839882417	/nfs/dbraw/zinc/88/24/17/839882417.db2.gz	FMWNNEKXJTVRID-UHFFFAOYSA-N	-1	0	269.268	0.701	20	30		CCEDRM
CCOCCS(=O)(=O)[N-]c1cnn(C)c1C#N	ZINC001187251039	844688740	/nfs/dbraw/zinc/68/87/40/844688740.db2.gz	YNZWLPSYHRYMDN-UHFFFAOYSA-N	-1	0	258.303	0.070	20	30		CCEDRM
N#C[C@@H]1CN(C(=O)c2cc(=O)n(-c3ccccc3)[n-]2)CCO1	ZINC001147883799	840714003	/nfs/dbraw/zinc/71/40/03/840714003.db2.gz	JRBNQKMXEHBGOJ-GFCCVEGCSA-N	-1	0	298.302	0.530	20	30		CCEDRM
C=C1C[C@H]2CC[C@@H](C1)N2C(=O)Cn1c(=O)[n-][nH]c1=O	ZINC001148505437	840824062	/nfs/dbraw/zinc/82/40/62/840824062.db2.gz	HZGJEGZTGZPFCP-DTORHVGOSA-N	-1	0	264.285	0.399	20	30		CCEDRM
C[C@H](C#N)c1cccc(C(=O)NCS(=O)(=O)[O-])c1	ZINC001148621991	840868602	/nfs/dbraw/zinc/86/86/02/840868602.db2.gz	IJUPXKXDIAQSJK-MRVPVSSYSA-N	-1	0	268.294	0.889	20	30		CCEDRM
CCN(C(=O)CCCn1c(=O)[n-][nH]c1=O)[C@@H](C)C#N	ZINC001148811458	840893395	/nfs/dbraw/zinc/89/33/95/840893395.db2.gz	LMJSXUVEJDUDFH-QMMMGPOBSA-N	-1	0	267.289	0.230	20	30		CCEDRM
N#Cc1ccc(NC(=O)Cc2nnn[n-]2)c2cccnc12	ZINC001176845253	842443946	/nfs/dbraw/zinc/44/39/46/842443946.db2.gz	QPOFZVYLXYODNV-UHFFFAOYSA-N	-1	0	279.263	0.801	20	30		CCEDRM
N#Cc1ccccc1OCCCNC(=O)Cc1nnn[n-]1	ZINC001176847173	842447379	/nfs/dbraw/zinc/44/73/79/842447379.db2.gz	KZSUSOBZOFAVBO-UHFFFAOYSA-N	-1	0	286.295	0.199	20	30		CCEDRM
N#Cc1cc(CC(=O)NCC(=O)CCC(=O)[O-])ccn1	ZINC001177672324	842648458	/nfs/dbraw/zinc/64/84/58/842648458.db2.gz	DRSZNCWIUDYQNZ-UHFFFAOYSA-N	-1	0	275.264	0.046	20	30		CCEDRM
N#Cc1ccccc1C1(C(=O)NCS(=O)(=O)[O-])CC1	ZINC001183293700	844000070	/nfs/dbraw/zinc/00/00/70/844000070.db2.gz	QGSPESUSMIBCOX-UHFFFAOYSA-N	-1	0	280.305	0.551	20	30		CCEDRM
CCOCCS(=O)(=O)[N-]c1cnc(C#N)nc1	ZINC001187246810	844679262	/nfs/dbraw/zinc/67/92/62/844679262.db2.gz	WTLLLAYBRKRXHH-UHFFFAOYSA-N	-1	0	256.287	0.126	20	30		CCEDRM
COC(=O)CCS(=O)(=O)Nc1ccc(O)c(C#N)c1	ZINC001188387859	844876858	/nfs/dbraw/zinc/87/68/58/844876858.db2.gz	DKHWJWLBRZCAJA-UHFFFAOYSA-N	-1	0	284.293	0.569	20	30		CCEDRM
C=C(C)Cc1ccc(C(=O)N[C@@H]2CO[N-]C2=O)cc1	ZINC001190231898	845360825	/nfs/dbraw/zinc/36/08/25/845360825.db2.gz	NTTUBNWFAYWCDV-GFCCVEGCSA-N	-1	0	260.293	0.965	20	30		CCEDRM
N#Cc1ccnnc1[N-]S(=O)(=O)c1ccncc1	ZINC001190859993	845527887	/nfs/dbraw/zinc/52/78/87/845527887.db2.gz	KOVAMEHYFHEHTM-UHFFFAOYSA-N	-1	0	261.266	0.544	20	30		CCEDRM
N#CCS(=O)(=O)[N-]c1cnc2cc(C3CC3)nn2c1	ZINC001192943068	845930520	/nfs/dbraw/zinc/93/05/20/845930520.db2.gz	IVYBQARVGJUARN-UHFFFAOYSA-N	-1	0	277.309	0.872	20	30		CCEDRM
COc1nc([N-]S(=O)(=O)CC#N)c(C)c(OC)n1	ZINC001192951431	845933003	/nfs/dbraw/zinc/93/30/03/845933003.db2.gz	KSOGKIIWHLOYHL-UHFFFAOYSA-N	-1	0	272.286	0.068	20	30		CCEDRM
COC(=O)[C@H]([N-]S(=O)(=O)CC#N)c1ccccc1OC	ZINC001193005244	845954428	/nfs/dbraw/zinc/95/44/28/845954428.db2.gz	PKFXGNCHZPFKCD-LLVKDONJSA-N	-1	0	298.320	0.352	20	30		CCEDRM
COC(=O)c1occc1[N-]S(=O)(=O)[C@H](C)C#N	ZINC001193105696	845978965	/nfs/dbraw/zinc/97/89/65/845978965.db2.gz	ZWJGKSYXVULBBX-ZCFIWIBFSA-N	-1	0	258.255	0.720	20	30		CCEDRM
N#C[C@@H](NC(=O)c1cc(Cl)nc(Cl)c1[O-])C(N)=O	ZINC001193101609	845977758	/nfs/dbraw/zinc/97/77/58/845977758.db2.gz	XGNGPPKWSYTGHO-SCSAIBSYSA-N	-1	0	289.078	0.201	20	30		CCEDRM
C[C@H](C#N)S(=O)(=O)[N-]c1cc2ccccn2n1	ZINC001193111218	845981045	/nfs/dbraw/zinc/98/10/45/845981045.db2.gz	DMPVTLJZKJHRBK-MRVPVSSYSA-N	-1	0	250.283	0.988	20	30		CCEDRM
C[C@@H](C#N)S(=O)(=O)Nc1cccc(S(=O)(=O)[O-])c1	ZINC001193139354	846003058	/nfs/dbraw/zinc/00/30/58/846003058.db2.gz	COIVFQANYAGMSI-ZETCQYMHSA-N	-1	0	290.322	0.587	20	30		CCEDRM
COC(=O)c1cccc(O)c1[N-]S(=O)(=O)[C@H](C)C#N	ZINC001193151798	846006782	/nfs/dbraw/zinc/00/67/82/846006782.db2.gz	UFMQOQJLHLUISD-SSDOTTSWSA-N	-1	0	284.293	0.833	20	30		CCEDRM
N#Cc1cnoc1[N-]S(=O)(=O)C[C@@H]1CCCO1	ZINC001193205913	846018350	/nfs/dbraw/zinc/01/83/50/846018350.db2.gz	MYIFLPZEVFSEFG-QMMMGPOBSA-N	-1	0	257.271	0.467	20	30		CCEDRM
Cn1cnc([N-]S(=O)(=O)C[C@H]2CCCO2)c1C#N	ZINC001193213703	846022325	/nfs/dbraw/zinc/02/23/25/846022325.db2.gz	NCEHWPVGGOJJAF-MRVPVSSYSA-N	-1	0	270.314	0.212	20	30		CCEDRM
CCOC(=O)[C@H]([N-]S(=O)(=O)[C@H](C)C#N)c1ccccn1	ZINC001193182968	846027231	/nfs/dbraw/zinc/02/72/31/846027231.db2.gz	UXXGZJYPTVBWNB-MWLCHTKSSA-N	-1	0	297.336	0.517	20	30		CCEDRM
N#Cc1cc(C(=O)Nc2c[nH]nc2C(N)=O)ccc1[O-]	ZINC001193499913	846082038	/nfs/dbraw/zinc/08/20/38/846082038.db2.gz	XODPPQMHQYLBIS-UHFFFAOYSA-N	-1	0	271.236	0.338	20	30		CCEDRM
COC(=O)C1(C#N)CCN(C(=O)c2cc(=O)[nH][n-]2)CC1	ZINC001193469040	846086554	/nfs/dbraw/zinc/08/65/54/846086554.db2.gz	KGQBBLZCPKGRPE-UHFFFAOYSA-N	-1	0	278.268	0.034	20	30		CCEDRM
N#CC1(NC(=O)c2cc(=O)[nH][n-]2)Cc2ccccc2C1	ZINC001193474515	846087814	/nfs/dbraw/zinc/08/78/14/846087814.db2.gz	DLAQYBFASNFROV-UHFFFAOYSA-N	-1	0	268.276	0.906	20	30		CCEDRM
CNC(=O)C1CCN(C(=O)c2ccc([O-])c(C#N)c2)CC1	ZINC001193494754	846093593	/nfs/dbraw/zinc/09/35/93/846093593.db2.gz	OEJDRPPDOIQCBZ-UHFFFAOYSA-N	-1	0	287.319	0.862	20	30		CCEDRM
Cn1cc(CCNC(=O)c2ccc([O-])c(C#N)c2)cn1	ZINC001193516009	846102522	/nfs/dbraw/zinc/10/25/22/846102522.db2.gz	XKCFYAFQQFTRAX-UHFFFAOYSA-N	-1	0	270.292	0.970	20	30		CCEDRM
CN1CCO[C@H](CNC(=O)c2ccc([O-])c(C#N)c2)C1	ZINC001193512544	846102867	/nfs/dbraw/zinc/10/28/67/846102867.db2.gz	OQGABEQCAZCSGG-GFCCVEGCSA-N	-1	0	275.308	0.324	20	30		CCEDRM
COC(=O)[C@H]1C[C@H]1CNC(=O)c1ccc([O-])c(C#N)c1	ZINC001193514161	846103261	/nfs/dbraw/zinc/10/32/61/846103261.db2.gz	CCUJCQPFFBWKLI-QWRGUYRKSA-N	-1	0	274.276	0.803	20	30		CCEDRM
CCOC(=O)[C@@H](C#N)NC(=O)c1ccc([O-])c(C#N)c1	ZINC001193514529	846103370	/nfs/dbraw/zinc/10/33/70/846103370.db2.gz	FOBCMHMILLWPCT-SNVBAGLBSA-N	-1	0	273.248	0.449	20	30		CCEDRM
CCN(CCC(N)=O)C(=O)c1ccc(C#N)cc1[O-]	ZINC001195741827	846619651	/nfs/dbraw/zinc/61/96/51/846619651.db2.gz	QLIIGQHYDVTPJG-UHFFFAOYSA-N	-1	0	261.281	0.601	20	30		CCEDRM
CCOC(=O)CS(=O)(=O)[N-]c1cc(F)cnc1C#N	ZINC001195941681	846645680	/nfs/dbraw/zinc/64/56/80/846645680.db2.gz	LNZKYLTVOKWCRC-UHFFFAOYSA-N	-1	0	287.272	0.397	20	30		CCEDRM
Cn1[n-]nnc1=NC(=S)Nc1ccccc1C#N	ZINC001196285364	846723958	/nfs/dbraw/zinc/72/39/58/846723958.db2.gz	MSPFBPGQEORRBC-UHFFFAOYSA-N	-1	0	259.298	0.313	20	30		CCEDRM
N#Cc1ccccc1NC(=S)N[C@@H]1CO[N-]C1=O	ZINC001196335912	846725055	/nfs/dbraw/zinc/72/50/55/846725055.db2.gz	GZXMBZZXBMQMGZ-SECBINFHSA-N	-1	0	262.294	0.275	20	30		CCEDRM
N#Cc1cncc([N-]S(=O)(=O)Cc2cccnc2)n1	ZINC001197421557	846909338	/nfs/dbraw/zinc/90/93/38/846909338.db2.gz	IOMORYFTGKFQLY-UHFFFAOYSA-N	-1	0	275.293	0.685	20	30		CCEDRM
C#Cc1nccnc1[N-]S(=O)(=O)Cc1ccccn1	ZINC001197782274	846962827	/nfs/dbraw/zinc/96/28/27/846962827.db2.gz	KQIGIHVDJWZBIL-UHFFFAOYSA-N	-1	0	274.305	0.795	20	30		CCEDRM
COC(=O)CCCS(=O)(=O)[N-]c1c(O)cccc1C#N	ZINC001201915958	847834703	/nfs/dbraw/zinc/83/47/03/847834703.db2.gz	TYYZUEHFYHVKJL-UHFFFAOYSA-N	-1	0	298.320	0.959	20	30		CCEDRM
N#Cc1ccc(N2CCC[C@H](NC(=O)c3cn[nH]n3)C2)cn1	ZINC001058268655	853808160	/nfs/dbraw/zinc/80/81/60/853808160.db2.gz	QYZVDZSEGLFDMW-NSHDSACASA-N	-1	0	297.322	0.470	20	30		CCEDRM
C#CC[C@@H](NC(=O)c1ccc(OC)cc1OC)C(=O)[O-]	ZINC000149777918	853995703	/nfs/dbraw/zinc/99/57/03/853995703.db2.gz	POACBFPKVGPZOU-LLVKDONJSA-N	-1	0	277.276	0.910	20	30		CCEDRM
C#CC[C@@H](NC(=O)CCc1c(C)noc1C)C(=O)[O-]	ZINC000149864356	854004361	/nfs/dbraw/zinc/00/43/61/854004361.db2.gz	FUWBLWOZVSJFMC-LLVKDONJSA-N	-1	0	264.281	0.817	20	30		CCEDRM
N#CCCCCS(=O)(=O)N[C@@H](C(=O)[O-])[C@H]1CCOC1	ZINC001116684485	855813627	/nfs/dbraw/zinc/81/36/27/855813627.db2.gz	FDNDFAWKOHBDQX-VHSXEESVSA-N	-1	0	290.341	0.089	20	30		CCEDRM
Nc1ccc(C=Nn2c(=O)[n-][nH]c2=O)cc1Cl	ZINC001117697388	856050287	/nfs/dbraw/zinc/05/02/87/856050287.db2.gz	CHPALFISURXFSK-UHFFFAOYSA-N	-1	0	253.649	0.807	20	30		CCEDRM
C[C@H](CC#N)C(=O)[N-]S(=O)(=O)C[C@@H]1CCOC1	ZINC001118542279	856332457	/nfs/dbraw/zinc/33/24/57/856332457.db2.gz	QJIYYRFJUCCXMR-RKDXNWHRSA-N	-1	0	260.315	0.019	20	30		CCEDRM
C=CCO[C@H]1CCN(C(=O)Cn2cc(C(=O)[O-])cn2)C1	ZINC001118973007	856514284	/nfs/dbraw/zinc/51/42/84/856514284.db2.gz	OPIXUABVCXRZNB-NSHDSACASA-N	-1	0	279.296	0.385	20	30		CCEDRM
C=CCOC[C@H](NCc1cc(C)n(C)n1)C(=O)[O-]	ZINC001119601493	856771007	/nfs/dbraw/zinc/77/10/07/856771007.db2.gz	FIYHIDUMEGJFKZ-NSHDSACASA-N	-1	0	253.302	0.474	20	30		CCEDRM
C=C[C@@](C)(O)CC(=O)NCc1nc(C)cc(=O)[nH]1	ZINC001119638024	856798490	/nfs/dbraw/zinc/79/84/90/856798490.db2.gz	FDQBEBSJBGNYLN-GFCCVEGCSA-N	-1	0	251.286	0.434	20	30		CCEDRM
C#CCO[C@H](C)C(=O)[N-]OC(C)(C)C(=O)OCC	ZINC001328066870	914940898	/nfs/dbraw/zinc/94/08/98/914940898.db2.gz	YSHICTTZHFSOFT-SECBINFHSA-N	-1	0	257.286	0.414	20	30		CCEDRM
C=C[C@H](CC)CC(=O)N(C)C1CN(Cc2n[nH]c(=O)[n-]2)C1	ZINC001323970463	912606185	/nfs/dbraw/zinc/60/61/85/912606185.db2.gz	UXIBXDROPRDCQT-SNVBAGLBSA-N	-1	0	293.371	0.755	20	30		CCEDRM
Cc1nocc1C=Nn1c(=O)c(C)n[n-]c1=S	ZINC001324473566	912862516	/nfs/dbraw/zinc/86/25/16/912862516.db2.gz	KKSDVCFLRZBEOR-UHFFFAOYSA-N	-1	0	251.271	0.414	20	30		CCEDRM
C=C[C@@H](C)O[N-]C(=O)C(=O)Nc1ncc(OC)cn1	ZINC001346208298	891473739	/nfs/dbraw/zinc/47/37/39/891473739.db2.gz	OVWDPVZYKQXTKT-SSDOTTSWSA-N	-1	0	266.257	0.046	20	30		CCEDRM
N#CCCCC(=O)[N-]S(=O)(=O)c1ccc(C(N)=O)cc1	ZINC001326032829	913707199	/nfs/dbraw/zinc/70/71/99/913707199.db2.gz	QTJUSJUJLMSNHS-UHFFFAOYSA-N	-1	0	295.320	0.284	20	30		CCEDRM
CCOCCO[N-]C(=O)C(=O)NCC1CCC(C#N)CC1	ZINC001326158266	913783986	/nfs/dbraw/zinc/78/39/86/913783986.db2.gz	PMXMXFUAHGBXMB-UHFFFAOYSA-N	-1	0	297.355	0.517	20	30		CCEDRM
C=CC[C@@H](NC(=O)c1c([N+](=O)[O-])c(C)nn1C)C(=O)[O-]	ZINC001327012374	914313336	/nfs/dbraw/zinc/31/33/36/914313336.db2.gz	AYHYNNWWIIUIRV-SSDOTTSWSA-N	-1	0	282.256	0.396	20	30		CCEDRM
Nc1nonc1C(=N[O-])Nc1ccc([N+](=O)[O-])cc1	ZINC001174475310	899945949	/nfs/dbraw/zinc/94/59/49/899945949.db2.gz	GRGJRHYIWBNQAC-UHFFFAOYSA-N	-1	0	264.201	0.808	20	30		CCEDRM
COC(=O)c1cccnc1[N-]S(=O)(=O)[C@@H](C)C#N	ZINC001193106232	900031873	/nfs/dbraw/zinc/03/18/73/900031873.db2.gz	NDQICELGNDASRK-ZETCQYMHSA-N	-1	0	269.282	0.522	20	30		CCEDRM
C=CS(=O)(=O)[N-]c1c(C#N)cnn1C(=O)OC	ZINC001198633833	900066611	/nfs/dbraw/zinc/06/66/11/900066611.db2.gz	ABVHVZJYQSUREL-UHFFFAOYSA-N	-1	0	256.243	0.254	20	30		CCEDRM
C=C(C)COCCNC(=O)C(=O)[N-]OCCC(F)(F)F	ZINC001327309684	914473855	/nfs/dbraw/zinc/47/38/55/914473855.db2.gz	YJRPUIWTGVVEMS-UHFFFAOYSA-N	-1	0	298.261	0.696	20	30		CCEDRM
COCCN(CCOC)C(=O)c1[n-]c(=O)c(C#N)cc1C	ZINC001412370432	901668690	/nfs/dbraw/zinc/66/86/90/901668690.db2.gz	BHBVXTVBBYMUQI-UHFFFAOYSA-N	-1	0	293.323	0.702	20	30		CCEDRM
COc1ncc(NC(=O)CCc2nnn[n-]2)cc1C#N	ZINC001412567580	901831507	/nfs/dbraw/zinc/83/15/07/901831507.db2.gz	ZUWXQFPMYOALEA-UHFFFAOYSA-N	-1	0	273.256	0.046	20	30		CCEDRM
N#Cc1ccc(C(=O)N2CCS(=O)(=O)CCO2)cc1[O-]	ZINC001412814848	902142696	/nfs/dbraw/zinc/14/26/96/902142696.db2.gz	PWEHWAMAGNEVDJ-UHFFFAOYSA-N	-1	0	296.304	0.066	20	30		CCEDRM
Cc1cc(C#N)c(=O)[n-]c1C(=O)N1C[C@H](O)C2(CC2)C1	ZINC001412874741	902322994	/nfs/dbraw/zinc/32/29/94/902322994.db2.gz	ZNUZMFCNTRBGOG-JTQLQIEISA-N	-1	0	273.292	0.564	20	30		CCEDRM
Cn1c(=O)[n-]c(NCC(C)(C)c2ccccn2)c(C#N)c1=O	ZINC001412885647	902332667	/nfs/dbraw/zinc/33/26/67/902332667.db2.gz	SGBJOPOOABJLHO-UHFFFAOYSA-N	-1	0	299.334	0.730	20	30		CCEDRM
CCC(CC)(NC(=O)c1cc(C#N)ccn1)c1nnn[n-]1	ZINC001412931432	902371298	/nfs/dbraw/zinc/37/12/98/902371298.db2.gz	CQMRVNFDNRMWRL-UHFFFAOYSA-N	-1	0	285.311	0.912	20	30		CCEDRM
Cn1c(C#N)ccc1C(=O)N1CC[C@H](c2nnn[n-]2)C1	ZINC001413466801	902972990	/nfs/dbraw/zinc/97/29/90/902972990.db2.gz	HJBDINLHKXMOFT-QMMMGPOBSA-N	-1	0	271.284	0.040	20	30		CCEDRM
CC(C)CN(Cc1nnn[n-]1)C(=O)c1ccc(C#N)cn1	ZINC001413507451	902998578	/nfs/dbraw/zinc/99/85/78/902998578.db2.gz	ZRBCUCJKJGQSLS-UHFFFAOYSA-N	-1	0	285.311	0.765	20	30		CCEDRM
C#CCO[C@H](C)C(=O)NCc1cc(C(=O)[O-])c(C)o1	ZINC001332163837	904064906	/nfs/dbraw/zinc/06/49/06/904064906.db2.gz	DZOQZJRXYWYFLH-SECBINFHSA-N	-1	0	265.265	0.941	20	30		CCEDRM
C[C@@H](CNC(=O)C#CC(C)(C)C)N(C)Cc1n[nH]c(=O)[n-]1	ZINC001282384741	904464140	/nfs/dbraw/zinc/46/41/40/904464140.db2.gz	QBSBTBNZXNPKRM-JTQLQIEISA-N	-1	0	293.371	0.496	20	30		CCEDRM
COC(=O)CN(C)C(=O)c1[n-]c(=O)c(C#N)cc1C	ZINC001290649208	906134419	/nfs/dbraw/zinc/13/44/19/906134419.db2.gz	OMZYZDXLHIGAMM-UHFFFAOYSA-N	-1	0	263.253	0.212	20	30		CCEDRM
N#CCCCS(=O)(=O)[N-]C(=O)c1cnn(C2CC2)c1	ZINC001335167793	906575723	/nfs/dbraw/zinc/57/57/23/906575723.db2.gz	AMHSWOQJXYVZFA-UHFFFAOYSA-N	-1	0	282.325	0.581	20	30		CCEDRM
C=CC(C)(C)C(=O)N[C@H](C)CNC(=O)c1[nH]nc(C)c1[O-]	ZINC001295462463	906741021	/nfs/dbraw/zinc/74/10/21/906741021.db2.gz	NLXJYHUKUSGMTD-MRVPVSSYSA-N	-1	0	294.355	0.870	20	30		CCEDRM
COC[C@@H](Nc1[n-]c(=O)n(C)c(=O)c1C#N)C(C)C	ZINC001337787854	921293075	/nfs/dbraw/zinc/29/30/75/921293075.db2.gz	KGBDKZLEWKRAJY-SECBINFHSA-N	-1	0	266.301	0.028	20	30		CCEDRM
C=C[C@@H]1CCCCN1c1nc2c(nc([O-])n(C)c2=O)[nH]1	ZINC001337854901	921298836	/nfs/dbraw/zinc/29/88/36/921298836.db2.gz	SLHVZTDDRLDMAZ-MRVPVSSYSA-N	-1	0	275.312	0.907	20	30		CCEDRM
O=C(N[C@H]1CCN(O)C1=O)c1cnnc(-c2ccccc2)c1	ZINC001298425980	907239496	/nfs/dbraw/zinc/23/94/96/907239496.db2.gz	MDKFDWKGBQXLHT-LBPRGKRZSA-N	-1	0	298.302	0.864	20	30		CCEDRM
O=C(C=Cc1ccc(F)cc1)C(=O)Nn1c(=O)[n-][nH]c1=O	ZINC001298668424	907297306	/nfs/dbraw/zinc/29/73/06/907297306.db2.gz	SCYLUHAXZNTBKU-ZZXKWVIFSA-N	-1	0	292.226	0.181	20	30		CCEDRM
Cn1c(=O)[n-]c(N[C@@H]2CCCC[C@H]2F)c(C#N)c1=O	ZINC001338007319	921337096	/nfs/dbraw/zinc/33/70/96/921337096.db2.gz	GAIQBBXNWPOPRL-RKDXNWHRSA-N	-1	0	266.276	0.638	20	30		CCEDRM
Cn1c(=O)[n-]c(NCc2cccs2)c(C#N)c1=O	ZINC001306912253	908273654	/nfs/dbraw/zinc/27/36/54/908273654.db2.gz	RGFXNGCNMXVPSB-UHFFFAOYSA-N	-1	0	262.294	0.619	20	30		CCEDRM
C=C[C@@H](C)ONC(=O)Nc1nc(CS(C)(=O)=O)no1	ZINC001310477997	908499303	/nfs/dbraw/zinc/49/93/03/908499303.db2.gz	LIDWXGYIAUJQOZ-ZCFIWIBFSA-N	-1	0	290.301	0.242	20	30		CCEDRM
N#Cc1cccc(C(=O)[N-]S(=O)(=O)C(F)F)c1	ZINC001317862638	909527081	/nfs/dbraw/zinc/52/70/81/909527081.db2.gz	DVIUJGIAJPVAOH-UHFFFAOYSA-N	-1	0	260.221	0.840	20	30		CCEDRM
Cc1cc(C#N)c(=O)[n-]c1C(=O)NC[C@]1(O)CCSC1	ZINC001417664356	921506746	/nfs/dbraw/zinc/50/67/46/921506746.db2.gz	SIGPVFGYOMXRJI-CYBMUJFWSA-N	-1	0	293.348	0.565	20	30		CCEDRM
N#Cc1cn(CCC(=O)N2CC3(CCC3)C2)c(=O)[n-]c1=O	ZINC001417671643	921518124	/nfs/dbraw/zinc/51/81/24/921518124.db2.gz	JFSKYLYMJJVZJY-UHFFFAOYSA-N	-1	0	288.307	0.223	20	30		CCEDRM
Cc1cc(C#N)c(=O)[n-]c1C(=O)N1CCC[C@@](C)(O)C1	ZINC001417681867	921530038	/nfs/dbraw/zinc/53/00/38/921530038.db2.gz	QPBRSWXDGFFSQB-CQSZACIVSA-N	-1	0	275.308	0.954	20	30		CCEDRM
C=CCn1c(-c2cc(=O)[nH][n-]2)nnc1N(C)C[C@@H](C)C#N	ZINC001338945753	921607792	/nfs/dbraw/zinc/60/77/92/921607792.db2.gz	BFXGBBPOIDVDHT-VIFPVBQESA-N	-1	0	287.327	0.284	20	30		CCEDRM
C=CC(C)(C)CC(=O)NCC=CCNCc1n[nH]c(=O)[n-]1	ZINC001321078146	911068376	/nfs/dbraw/zinc/06/83/76/911068376.db2.gz	PTTRGDQXZZTCDD-AATRIKPKSA-N	-1	0	293.371	0.875	20	30		CCEDRM
C=CCn1c(-c2cc(=O)[nH][n-]2)nnc1N1C[C@H](C)C[C@H]1C	ZINC001339053871	921639626	/nfs/dbraw/zinc/63/96/26/921639626.db2.gz	CKIMCNQNSGZPHL-NXEZZACHSA-N	-1	0	288.355	0.923	20	30		CCEDRM
C=C[C@@](C)(CC)C(=O)NCC=CCNCc1n[nH]c(=O)[n-]1	ZINC001321229913	911176693	/nfs/dbraw/zinc/17/66/93/911176693.db2.gz	APAXRKISCDYUJP-UZYOAWRESA-N	-1	0	293.371	0.875	20	30		CCEDRM
CCN(C(=O)[C@@H](C)C#N)[C@H]1CCN(Cc2n[nH]c(=O)[n-]2)C1	ZINC001391635790	911284746	/nfs/dbraw/zinc/28/47/46/911284746.db2.gz	IJZPOZURESSSHS-UWVGGRQHSA-N	-1	0	292.343	0.093	20	30		CCEDRM
C=CC[C@@H](NC(=O)CCOC[C@H]1CCCO1)C(=O)[O-]	ZINC001321658516	911426402	/nfs/dbraw/zinc/42/64/02/911426402.db2.gz	UPMWBLIQHYQVBN-GHMZBOCLSA-N	-1	0	271.313	0.718	20	30		CCEDRM
CSc1[n-]c(=O)c(C(=O)NCCCO)cc1C#N	ZINC001322614741	911885096	/nfs/dbraw/zinc/88/50/96/911885096.db2.gz	XXFVIDCOUVRDRQ-UHFFFAOYSA-N	-1	0	267.310	0.493	20	30		CCEDRM
C#CCOCCNC(=O)C(=O)[N-]OC1CCCCC1	ZINC001322967407	912043465	/nfs/dbraw/zinc/04/34/65/912043465.db2.gz	RYGQGVNBQFWJHW-UHFFFAOYSA-N	-1	0	268.313	0.133	20	30		CCEDRM
Cc1cc(C#N)cc(NC(=O)Cn2c(=O)[n-][nH]c2=O)c1	ZINC001417992731	921752756	/nfs/dbraw/zinc/75/27/56/921752756.db2.gz	ATSFURSKXMNHTM-UHFFFAOYSA-N	-1	0	273.252	0.508	20	30		CCEDRM
C=C[C@@H](C)O[N-]C(=O)C(=O)Nc1ccn(CCC#N)n1	ZINC001328727801	915387616	/nfs/dbraw/zinc/38/76/16/915387616.db2.gz	OSPPCFVKTAZLNW-SECBINFHSA-N	-1	0	277.284	0.358	20	30		CCEDRM
C=C[C@H](CO)NC(=O)NC[C@](C)(C(=O)[O-])c1ccccc1	ZINC001339733820	921809133	/nfs/dbraw/zinc/80/91/33/921809133.db2.gz	TZAALVDINVTKNL-DOMZBBRYSA-N	-1	0	292.335	0.875	20	30		CCEDRM
C=CC1(S(=O)(=O)[N-]C(=O)[C@]2(F)CCOC2)CC1	ZINC001330036312	916373731	/nfs/dbraw/zinc/37/37/31/916373731.db2.gz	VGTQNLGNYBBFQO-JTQLQIEISA-N	-1	0	263.290	0.280	20	30		CCEDRM
C[C@@H](C#N)C(=O)N[C@H]1CCCN(Cc2n[nH]c(=O)[n-]2)CC1	ZINC001402609251	917124647	/nfs/dbraw/zinc/12/46/47/917124647.db2.gz	SHURTHWJIWBBEG-UWVGGRQHSA-N	-1	0	292.343	0.141	20	30		CCEDRM
N#CC1(C(=O)N[C@@H]2CC=C(C(=O)[O-])C2)CCOCC1	ZINC001331818575	917637455	/nfs/dbraw/zinc/63/74/55/917637455.db2.gz	LFJJYVNEOJPHIZ-SNVBAGLBSA-N	-1	0	264.281	0.596	20	30		CCEDRM
C=CC[C@@H](NC(=O)[C@H](O)c1cccc(OC)c1)C(=O)[O-]	ZINC001332136872	917895154	/nfs/dbraw/zinc/89/51/54/917895154.db2.gz	RTQPCBRPBICLLO-VXGBXAGGSA-N	-1	0	279.292	0.874	20	30		CCEDRM
C=CC[C@H](NC(=O)NCc1ncccc1N(C)C)C(=O)[O-]	ZINC001332605539	918305904	/nfs/dbraw/zinc/30/59/04/918305904.db2.gz	BZHGQSSOLAKCGL-JTQLQIEISA-N	-1	0	292.339	0.976	20	30		CCEDRM
C=C[C@@H](C)O[N-]C(=O)C(=O)Nc1ncc(COC)s1	ZINC001332628871	918327728	/nfs/dbraw/zinc/32/77/28/918327728.db2.gz	WWNVFDRRVKTHOK-SSDOTTSWSA-N	-1	0	285.325	0.850	20	30		CCEDRM
Cc1cc(NC(=O)N[C@@H]2CCCN(O)C2=O)cc(C)n1	ZINC001333040283	918613659	/nfs/dbraw/zinc/61/36/59/918613659.db2.gz	WYSKOKOFMWHMRL-LLVKDONJSA-N	-1	0	278.312	0.622	20	30		CCEDRM
C=CC[C@H](NC(=O)NC[C@@H](OC)[C@@H]1CCOC1)C(=O)[O-]	ZINC001333146078	918685309	/nfs/dbraw/zinc/68/53/09/918685309.db2.gz	UHHMMESTKQMAHJ-OUAUKWLOSA-N	-1	0	286.328	0.366	20	30		CCEDRM
C=CC[C@@H](NCc1nc(C(N)=O)cs1)C(=O)[O-]	ZINC001588749348	984064906	/nfs/dbraw/zinc/06/49/06/984064906.db2.gz	ILUICIPQCGZJFZ-ZCFIWIBFSA-N	-1	0	255.299	0.361	20	30		CCEDRM
C=CC[C@@H](NC(=O)COCc1nccn1C)C(=O)[O-]	ZINC001333331656	918808688	/nfs/dbraw/zinc/80/86/88/918808688.db2.gz	DPTZOWUMRORPRE-SECBINFHSA-N	-1	0	267.285	0.082	20	30		CCEDRM
C=CC[C@H](NC(=O)COCc1ccnc(OC)c1)C(=O)[O-]	ZINC001333331805	918808797	/nfs/dbraw/zinc/80/87/97/918808797.db2.gz	JENOZGYEGLJQMN-NSHDSACASA-N	-1	0	294.307	0.752	20	30		CCEDRM
C=CC[C@H](NC(=O)c1cc(OC)ns1)C(=O)[O-]	ZINC001333331500	918809950	/nfs/dbraw/zinc/80/99/50/918809950.db2.gz	AQCWIIREBOUWSC-LURJTMIESA-N	-1	0	256.283	0.911	20	30		CCEDRM
C=C1CCC(C(=O)[N-]S(=O)(=O)[C@@H](C)C(=O)OC)CC1	ZINC001333627836	919055022	/nfs/dbraw/zinc/05/50/22/919055022.db2.gz	APTUNMKLDJQQGY-VIFPVBQESA-N	-1	0	289.353	0.740	20	30		CCEDRM
CCCCCOC1CN(c2[n-]c(=O)n(C)c(=O)c2C#N)C1	ZINC001336545986	920826769	/nfs/dbraw/zinc/82/67/69/920826769.db2.gz	PHXDRNQLANSPQT-UHFFFAOYSA-N	-1	0	292.339	0.341	20	30		CCEDRM
C[C@H](CCC1CC1)Nc1[n-]c(=O)n(C)c(=O)c1C#N	ZINC001336582776	920851013	/nfs/dbraw/zinc/85/10/13/920851013.db2.gz	GNSNMCLVSQPYCS-MRVPVSSYSA-N	-1	0	262.313	0.936	20	30		CCEDRM
C=C(C)[C@H]1OCC[C@H]1CNc1[n-]c(=O)n(C)c(=O)c1C#N	ZINC001336617509	920881107	/nfs/dbraw/zinc/88/11/07/920881107.db2.gz	UYTRSFPKZPPSSP-GXSJLCMTSA-N	-1	0	290.323	0.338	20	30		CCEDRM
C=C(C)[C@H]1OCC[C@@H]1CNc1[n-]c(=O)n(C)c(=O)c1C#N	ZINC001336617511	920881288	/nfs/dbraw/zinc/88/12/88/920881288.db2.gz	UYTRSFPKZPPSSP-MWLCHTKSSA-N	-1	0	290.323	0.338	20	30		CCEDRM
C#C[C@H]1CCCN(c2nc3c(nc([O-])n(C)c3=O)[nH]2)C1	ZINC001336683175	920925192	/nfs/dbraw/zinc/92/51/92/920925192.db2.gz	YQFRSKRNHSSUJB-QMMMGPOBSA-N	-1	0	273.296	0.212	20	30		CCEDRM
COCCNC(=O)C(C#N)=C([O-])c1occ(C)c1C	ZINC001341921395	922722685	/nfs/dbraw/zinc/72/26/85/922722685.db2.gz	SBKXAFJKRGFCQI-SNVBAGLBSA-N	-1	0	264.281	0.982	20	30		CCEDRM
N#CC(C(=O)NC1CC1)=C([O-])c1cn2c(n1)COCC2	ZINC001341956324	922736787	/nfs/dbraw/zinc/73/67/87/922736787.db2.gz	VZOLGOBMVCSCLS-SECBINFHSA-N	-1	0	274.280	0.014	20	30		CCEDRM
COC[C@@H](NC(=O)c1cccc(C#N)c1)c1nnn[n-]1	ZINC001419558680	922920225	/nfs/dbraw/zinc/92/02/25/922920225.db2.gz	XRGPSPJNNVGPKA-SNVBAGLBSA-N	-1	0	272.268	0.189	20	30		CCEDRM
COCCNC(=O)C(C#N)=C([O-])c1cccc(C#N)c1C	ZINC001342597590	923020388	/nfs/dbraw/zinc/02/03/88/923020388.db2.gz	MQEWVUGYSYHJCU-CYBMUJFWSA-N	-1	0	285.303	0.952	20	30		CCEDRM
Cc1cnn(C)c1C([O-])=C(C#N)C(=O)c1nccn1C	ZINC001342894690	923125901	/nfs/dbraw/zinc/12/59/01/923125901.db2.gz	KIWOJNPDXWJLJB-SECBINFHSA-N	-1	0	271.280	0.667	20	30		CCEDRM
COCCNC(=O)C(C#N)=C([O-])c1cc(C)nc(C)c1	ZINC001343486891	923345642	/nfs/dbraw/zinc/34/56/42/923345642.db2.gz	ALLKHZAANUIBRL-LBPRGKRZSA-N	-1	0	275.308	0.784	20	30		CCEDRM
C=CCNC(=O)C(C#N)=C([O-])c1cc(C(F)F)n(C)n1	ZINC001343590922	923384401	/nfs/dbraw/zinc/38/44/01/923384401.db2.gz	SLKOIQNCMMDIBK-SSDOTTSWSA-N	-1	0	282.250	0.982	20	30		CCEDRM
Cn1ccnc1C([O-])=C(C#N)C(=O)[C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@H]12	ZINC001343616039	923394588	/nfs/dbraw/zinc/39/45/88/923394588.db2.gz	AALQPYIIBZUZOU-VSQHNKFJSA-N	-1	0	285.303	0.735	20	30		CCEDRM
C=C(C)Cn1c(-c2cc(=O)[nH][n-]2)nnc1N(C)CCOC	ZINC001343689928	923423153	/nfs/dbraw/zinc/42/31/53/923423153.db2.gz	FNENNXXFAAADGZ-UHFFFAOYSA-N	-1	0	292.343	0.161	20	30		CCEDRM
Cn1c(Cl)cnc1C(C#N)=C([O-])[C@H]1CCC(=O)O1	ZINC001344863110	923714081	/nfs/dbraw/zinc/71/40/81/923714081.db2.gz	FLSSQPAEJYSZSQ-RNFRBKRXSA-N	-1	0	267.672	0.955	20	30		CCEDRM
N#Cc1cc(C(=O)NCc2nc(=O)o[n-]2)ccc1F	ZINC001345432206	923884548	/nfs/dbraw/zinc/88/45/48/923884548.db2.gz	HBMFHWLBWICBNX-UHFFFAOYSA-N	-1	0	262.200	0.304	20	30		CCEDRM
C=CCO[N-]C(=O)[C@@H](O)CNC(=O)OC(C)(C)C	ZINC001347115796	924376007	/nfs/dbraw/zinc/37/60/07/924376007.db2.gz	CCRNXTOUBVGRSZ-QMMMGPOBSA-N	-1	0	260.290	0.106	20	30		CCEDRM
CC(C)(C)S(=O)(=O)[N-]C(=O)c1ccc(C#N)nc1	ZINC001347698659	924515423	/nfs/dbraw/zinc/51/54/23/924515423.db2.gz	LXDWIAOEICGBTO-UHFFFAOYSA-N	-1	0	267.310	0.811	20	30		CCEDRM
C[C@H]1O[C@@H](C)[C@H](C)[C@@H]1C(=O)[N-]S(=O)(=O)CCCC#N	ZINC001348272687	924634892	/nfs/dbraw/zinc/63/48/92/924634892.db2.gz	XCEYTNMUQIDULV-MMWGEVLESA-N	-1	0	288.369	0.796	20	30		CCEDRM
C=C(C)C[C@H](NC(=O)[C@@H]1[C@H]2CCCO[C@H]21)C(=O)[O-]	ZINC001349944766	925101786	/nfs/dbraw/zinc/10/17/86/925101786.db2.gz	RIDWCIQUOAANBF-LMLFDSFASA-N	-1	0	253.298	0.947	20	30		CCEDRM
C=CCOCCCC(=O)N1CC[C@@H](c2nnn[n-]2)C1	ZINC001350236474	925152947	/nfs/dbraw/zinc/15/29/47/925152947.db2.gz	XWRXKSIGQNJNHL-SNVBAGLBSA-N	-1	0	265.317	0.498	20	30		CCEDRM
C=CCO[C@H]1CCN(C(=O)CCCc2nnn[n-]2)C1	ZINC001350294258	925163910	/nfs/dbraw/zinc/16/39/10/925163910.db2.gz	PJEHJDRMYBWHPJ-JTQLQIEISA-N	-1	0	265.317	0.326	20	30		CCEDRM
C=CC[C@@H](NC(=O)Cc1[nH]nc2c1CCCC2)C(=O)[O-]	ZINC001350769591	925274841	/nfs/dbraw/zinc/27/48/41/925274841.db2.gz	UKYWXVFLCBSVGK-LLVKDONJSA-N	-1	0	277.324	0.977	20	30		CCEDRM
C=C[C@H](COC)NS(=O)(=O)c1cccc(CC(=O)[O-])c1	ZINC001352079986	925519451	/nfs/dbraw/zinc/51/94/51/925519451.db2.gz	BUPOSXXIALSNOR-LLVKDONJSA-N	-1	0	299.348	0.793	20	30		CCEDRM
C#CCC[C@@H](O)CNC(=O)c1c(C)[nH]c(=O)[nH]c1=S	ZINC001352159977	925535015	/nfs/dbraw/zinc/53/50/15/925535015.db2.gz	PZLGNDXZCQHVCS-MRVPVSSYSA-N	-1	0	281.337	0.283	20	30		CCEDRM
N#CC[C@@H]1CCCN(C(=O)c2n[nH]c(=O)[n-]c2=O)C1	ZINC001300688444	926150759	/nfs/dbraw/zinc/15/07/59/926150759.db2.gz	BHHQINMGCYLNPY-ZETCQYMHSA-N	-1	0	263.257	0.049	20	30		CCEDRM
COC(=O)c1cc(C([O-])=C(C#N)C(=O)NC(C)C)on1	ZINC001356058607	926339863	/nfs/dbraw/zinc/33/98/63/926339863.db2.gz	FALJVNGVSTWJGG-ZETCQYMHSA-N	-1	0	279.252	0.308	20	30		CCEDRM
C#CC[C@@H]1CCN(C(=O)NCCOCCOCC(=O)[O-])C1	ZINC001357185519	926494240	/nfs/dbraw/zinc/49/42/40/926494240.db2.gz	XIWQGWHUNDHXFG-GFCCVEGCSA-N	-1	0	298.339	0.159	20	30		CCEDRM
COCCNC(=O)C(C#N)=C([O-])c1ccc([N+](=O)[O-])[nH]1	ZINC001357542139	926558944	/nfs/dbraw/zinc/55/89/44/926558944.db2.gz	FGJVPAPZXIJRRI-ZETCQYMHSA-N	-1	0	280.240	0.008	20	30		CCEDRM
N#Cc1c[n-]c(=O)n(Cc2cc(Br)no2)c1=O	ZINC001413928180	926925393	/nfs/dbraw/zinc/92/53/93/926925393.db2.gz	GFLLWSQKNUDAIC-UHFFFAOYSA-N	-1	0	297.068	0.207	20	30		CCEDRM
C=CC[C@H](NC(=O)c1ccc2n[nH]nc2c1)C(=O)[O-]	ZINC000150038001	926947687	/nfs/dbraw/zinc/94/76/87/926947687.db2.gz	HLCHEUXLDXIIKX-VIFPVBQESA-N	-1	0	260.253	0.717	20	30		CCEDRM
C=CC[C@@H](NC(=O)[C@@H](C)NC(=O)C(C)(C)C)C(=O)[O-]	ZINC000150213475	926948022	/nfs/dbraw/zinc/94/80/22/926948022.db2.gz	NJRPVOMTQKSCJV-RKDXNWHRSA-N	-1	0	270.329	0.683	20	30		CCEDRM
COCCn1[n-]nnc1=NC(=O)c1ccc(CC#N)cc1	ZINC001361636720	927209576	/nfs/dbraw/zinc/20/95/76/927209576.db2.gz	VOUBOTDIBGXFFL-UHFFFAOYSA-N	-1	0	286.295	0.060	20	30		CCEDRM
CCC(C)(C)NC(=O)CCn1cc(C#N)c(=O)[n-]c1=O	ZINC001361888687	927424414	/nfs/dbraw/zinc/42/44/14/927424414.db2.gz	POOHFTQANVQNSE-UHFFFAOYSA-N	-1	0	278.312	0.515	20	30		CCEDRM
N#Cc1cccc([C@@H]2C[C@H]2C(=O)NCc2nc(=O)o[n-]2)c1	ZINC001362271127	927804573	/nfs/dbraw/zinc/80/45/73/927804573.db2.gz	QFSMUZCAEKSNMR-WDEREUQCSA-N	-1	0	284.275	0.654	20	30		CCEDRM
Cc1nnc(NC(=O)c2[n-]c(=O)c(C#N)cc2C)n1C	ZINC001362344213	927901997	/nfs/dbraw/zinc/90/19/97/927901997.db2.gz	UIDRMYUTAYNLSM-UHFFFAOYSA-N	-1	0	272.268	0.657	20	30		CCEDRM
CSc1ncc(C(=O)N2CC(O)(CC#N)C2)c(=O)[nH]1	ZINC001362375628	927941335	/nfs/dbraw/zinc/94/13/35/927941335.db2.gz	OHXIAYPKNOZXCZ-UHFFFAOYSA-N	-1	0	280.309	0.005	20	30		CCEDRM
N#Cc1ccnc(C(=O)N2CCC[C@@H](c3nnn[n-]3)C2)c1	ZINC001362683931	928353427	/nfs/dbraw/zinc/35/34/27/928353427.db2.gz	BXYZNMLKJTUZIT-SNVBAGLBSA-N	-1	0	283.295	0.486	20	30		CCEDRM
Cc1cc(C(=O)N2CC[C@@H](c3nnn[n-]3)C2)ncc1C#N	ZINC001362819916	928530106	/nfs/dbraw/zinc/53/01/06/928530106.db2.gz	DXXKLIQMJHACEQ-SECBINFHSA-N	-1	0	283.295	0.405	20	30		CCEDRM
CC(C)[C@@]1(C)C[C@H]1NC(=O)Cn1cc(C#N)c(=O)[n-]c1=O	ZINC001362821278	928533786	/nfs/dbraw/zinc/53/37/86/928533786.db2.gz	YWGXFJFNIVTLLE-QMTHXVAHSA-N	-1	0	290.323	0.371	20	30		CCEDRM
Cc1nc(C(=O)N(C)Cc2nc(=O)o[n-]2)ccc1C#N	ZINC001362842533	928560332	/nfs/dbraw/zinc/56/03/32/928560332.db2.gz	XNWDJZHJEYBRCG-UHFFFAOYSA-N	-1	0	273.252	0.210	20	30		CCEDRM
Cc1cc(C(=O)N(C)Cc2nc(=O)o[n-]2)ncc1C#N	ZINC001362947536	928685459	/nfs/dbraw/zinc/68/54/59/928685459.db2.gz	DDETXEIMFWMWSC-UHFFFAOYSA-N	-1	0	273.252	0.210	20	30		CCEDRM
N#Cc1ccc([C@H](O)C(=O)NC2(c3nnn[n-]3)CCC2)cc1	ZINC001363822679	929616598	/nfs/dbraw/zinc/61/65/98/929616598.db2.gz	SFNZESCCGAFNBT-NSHDSACASA-N	-1	0	298.306	0.300	20	30		CCEDRM
C=C[C@H](COC)NC(=O)c1cccc(-c2nc(=O)o[n-]2)c1	ZINC001448103871	930817707	/nfs/dbraw/zinc/81/77/07/930817707.db2.gz	WXJBJFCHIRVZLV-LLVKDONJSA-N	-1	0	289.291	0.961	20	30		CCEDRM
CN(CCCCCO)C(=O)[C@@](C)(C#N)CC(=O)[O-]	ZINC001610935086	970794306	/nfs/dbraw/zinc/79/43/06/970794306.db2.gz	WIWIZIKCJCSUSE-GFCCVEGCSA-N	-1	0	256.302	0.612	20	30		CCEDRM
N#CCN1CCC(NC(=O)N[C@H]2C[C@@H](C(=O)[O-])C2)CC1	ZINC001601073085	970927588	/nfs/dbraw/zinc/92/75/88/970927588.db2.gz	AMAOXWMACATBSZ-JGZJWPJOSA-N	-1	0	280.328	0.137	20	30		CCEDRM
NC(=O)c1ccc(N=NCCCCC(=O)[O-])nn1	ZINC001611309465	970988326	/nfs/dbraw/zinc/98/83/26/970988326.db2.gz	VYCPYJYALYGNKR-UHFFFAOYSA-N	-1	0	251.246	0.228	20	30		CCEDRM
C#C[C@@H](NC(=O)N[C@@H](C)CC(=O)[O-])C1CCOCC1	ZINC001602671404	971234244	/nfs/dbraw/zinc/23/42/44/971234244.db2.gz	COBUILKFDZDZOT-GXSJLCMTSA-N	-1	0	268.313	0.577	20	30		CCEDRM
C#C[C@H](C)NC(=O)NC[C@@H]1CCC2(CC(C(=O)[O-])C2)O1	ZINC001602673633	971241545	/nfs/dbraw/zinc/24/15/45/971241545.db2.gz	YQSYFMBZZNLIBU-OZAVNUTGSA-N	-1	0	280.324	0.720	20	30		CCEDRM
C#C[C@@H]1CCCN(C(=O)C(=O)N2CC[C@](C)(C(=O)[O-])C2)C1	ZINC001602674991	971244758	/nfs/dbraw/zinc/24/47/58/971244758.db2.gz	IGBLKEXSAFSCOZ-ABAIWWIYSA-N	-1	0	292.335	0.181	20	30		CCEDRM
C#C[C@@H]1CCCN(CN2C[C@@H](C(=O)[O-])CC2=O)C1	ZINC001602675354	971247735	/nfs/dbraw/zinc/24/77/35/971247735.db2.gz	RUVLQVJXNMEGKG-MNOVXSKESA-N	-1	0	250.298	0.222	20	30		CCEDRM
C#CCN(CC(=O)[O-])C(=O)COc1cccc(OC)c1	ZINC001602683589	971274286	/nfs/dbraw/zinc/27/42/86/971274286.db2.gz	GNFBRUWJRXLMTN-UHFFFAOYSA-N	-1	0	277.276	0.620	20	30		CCEDRM
C#CCN(CC(=O)[O-])C(=O)Cc1c(C)nc(CC)nc1C	ZINC001602684046	971277699	/nfs/dbraw/zinc/27/76/99/971277699.db2.gz	OTTBOTHVJHXCRZ-UHFFFAOYSA-N	-1	0	289.335	0.745	20	30		CCEDRM
C#CCN(CC(=O)[O-])C(=O)NCc1nnc(C(C)C)[nH]1	ZINC001602686217	971286099	/nfs/dbraw/zinc/28/60/99/971286099.db2.gz	VUTMRLGAWRUWDU-UHFFFAOYSA-N	-1	0	279.300	0.158	20	30		CCEDRM
C=C(C)CONC(=O)c1ccc(-c2nn[nH]n2)c([O-])c1	ZINC001573294100	946976839	/nfs/dbraw/zinc/97/68/39/946976839.db2.gz	UMCCFLYBUPSNQT-UHFFFAOYSA-N	-1	0	275.268	0.810	20	30		CCEDRM
C#CCN(CC(=O)[O-])c1nnc([C@@H]2CCO[C@H]2C)n1C	ZINC001602700869	971322615	/nfs/dbraw/zinc/32/26/15/971322615.db2.gz	MECTUKZLPFTYKD-VHSXEESVSA-N	-1	0	278.312	0.232	20	30		CCEDRM
C#CCN(CC(=O)[O-])c1nnnn1Cc1csc(C)n1	ZINC001602700871	971322843	/nfs/dbraw/zinc/32/28/43/971322843.db2.gz	MGGBNKXRXJPPSI-UHFFFAOYSA-N	-1	0	292.324	0.011	20	30		CCEDRM
C#CCN1CCC[C@@H](NC(=O)NCCCC(=O)[O-])C1	ZINC001602702064	971328661	/nfs/dbraw/zinc/32/86/61/971328661.db2.gz	GIRPZDGKCQDHGA-LLVKDONJSA-N	-1	0	267.329	0.248	20	30		CCEDRM
C#Cc1cccc(CNC(=O)c2cn(CC(=O)[O-])nn2)c1	ZINC001602707102	971341882	/nfs/dbraw/zinc/34/18/82/971341882.db2.gz	JNDXFNMYLWPNTK-UHFFFAOYSA-N	-1	0	284.275	0.274	20	30		CCEDRM
C=C[C@H](O)c1nnc(N2CC[C@@](C)(C(=O)[O-])C2)n1CC	ZINC001602717132	971363452	/nfs/dbraw/zinc/36/34/52/971363452.db2.gz	AGFNMVKMRPEXPL-TVQRCGJNSA-N	-1	0	280.328	0.818	20	30		CCEDRM
CC(=O)NCCN(C(=O)CCCCCC#N)[C@H](C)C(=O)[O-]	ZINC001602752757	971458927	/nfs/dbraw/zinc/45/89/27/971458927.db2.gz	GEFOWSFTZZDGSK-LLVKDONJSA-N	-1	0	297.355	0.898	20	30		CCEDRM
C[C@](C#N)(CC(=O)[O-])C(=O)NCCc1cn[nH]c1	ZINC001602780688	971519982	/nfs/dbraw/zinc/51/99/82/971519982.db2.gz	LSVMAYGKSOOWKZ-LLVKDONJSA-N	-1	0	250.258	0.073	20	30		CCEDRM
CC[C@]1(C(=O)[O-])CCCN(C(=O)NCC#CCO)C1	ZINC001589596071	949145117	/nfs/dbraw/zinc/14/51/17/949145117.db2.gz	IRFZPFUZRNUFHT-ZDUSSCGKSA-N	-1	0	268.313	0.269	20	30		CCEDRM
C#CCN(CC(=O)[O-])C(=O)NC[C@@H]1CCCCO1	ZINC000092491166	949160578	/nfs/dbraw/zinc/16/05/78/949160578.db2.gz	LLLFBJVRXBRNDK-JTQLQIEISA-N	-1	0	254.286	0.285	20	30		CCEDRM
O=C([O-])c1cccc(C(=O)N[C@H]2CCCN(O)C2=O)c1	ZINC001595240705	949450118	/nfs/dbraw/zinc/45/01/18/949450118.db2.gz	UPODVXPSFNVLQP-JTQLQIEISA-N	-1	0	278.264	0.495	20	30		CCEDRM
CCC[C@@H](O)CCNC(=O)[C@@](C)(C#N)CC(=O)[O-]	ZINC001589634306	949591003	/nfs/dbraw/zinc/59/10/03/949591003.db2.gz	OOIYKUXEOGUSDG-BXKDBHETSA-N	-1	0	256.302	0.658	20	30		CCEDRM
N#Cc1ncccc1S(=O)(=O)N1CCC[C@@H](C(=O)[O-])C1	ZINC000236442309	949906290	/nfs/dbraw/zinc/90/62/90/949906290.db2.gz	NKNFPWVRUKCZRG-SECBINFHSA-N	-1	0	295.320	0.439	20	30		CCEDRM
CCN(C[C@@H](C)C#N)C(=O)[C@]1(C(=O)[O-])CCCO1	ZINC001589719381	950402051	/nfs/dbraw/zinc/40/20/51/950402051.db2.gz	FOWAOPGYWCRTAB-CABZTGNLSA-N	-1	0	254.286	0.628	20	30		CCEDRM
CCN1C[C@H](COC(=O)[C@@](C)(C#N)CC(=O)[O-])OC1=O	ZINC001589741828	950611169	/nfs/dbraw/zinc/61/11/69/950611169.db2.gz	FSEWMZYEGSBKQM-PRHODGIISA-N	-1	0	284.268	0.375	20	30		CCEDRM
O=C([O-])[C@H]1CCCN1C(=O)c1cccc(C#CCO)c1	ZINC001595201057	952310034	/nfs/dbraw/zinc/31/00/34/952310034.db2.gz	CLQYGYDUPMFTHZ-CYBMUJFWSA-N	-1	0	273.288	0.720	20	30		CCEDRM
C[C@H]1CC(NC(=O)C2(CC(=O)[O-])CCOCC2)=NO1	ZINC001589293675	953624264	/nfs/dbraw/zinc/62/42/64/953624264.db2.gz	PWNNQUULZKWOOO-QMMMGPOBSA-N	-1	0	270.285	0.496	20	30		CCEDRM
CN(C(=O)COC(=O)[C@@H]1CC[C@@H]1C(=O)[O-])C(C)(C)C#N	ZINC001593675926	953925691	/nfs/dbraw/zinc/92/56/91/953925691.db2.gz	HJPWFBXGTZRKBF-DTWKUNHWSA-N	-1	0	282.296	0.401	20	30		CCEDRM
C[C@H]1CCN(C(=O)C2(C#N)CCOCC2)C[C@@H]1C(=O)[O-]	ZINC001589336491	953997117	/nfs/dbraw/zinc/99/71/17/953997117.db2.gz	MIKWCBPCCFCPEM-QWRGUYRKSA-N	-1	0	280.324	0.876	20	30		CCEDRM
C[C@@H]1CN(C(=O)[C@](C)(C#N)CC(=O)[O-])C[C@H](C)[C@H]1O	ZINC001589366232	954197565	/nfs/dbraw/zinc/19/75/65/954197565.db2.gz	LBEIWLWDYPJOMS-JQEKQURRSA-N	-1	0	268.313	0.466	20	30		CCEDRM
CC[C@@H](C(=O)[O-])N(C)CC(=O)N[C@](C)(C#N)C1CC1	ZINC001589440613	954706786	/nfs/dbraw/zinc/70/67/86/954706786.db2.gz	AMXWOXUHNFDIGO-GXFFZTMASA-N	-1	0	267.329	0.590	20	30		CCEDRM
Cc1onc(CC(=O)Nc2ccn(CC(=O)[O-])n2)c1C#N	ZINC001594510392	955384201	/nfs/dbraw/zinc/38/42/01/955384201.db2.gz	UCPATBPHZYIDJS-UHFFFAOYSA-N	-1	0	289.251	0.317	20	30		CCEDRM
CO[C@H](C(=O)[O-])C(=O)N(C)Cc1ccc(C#N)cc1	ZINC001593900378	955862298	/nfs/dbraw/zinc/86/22/98/955862298.db2.gz	FMWNZYWUMYOPPJ-NSHDSACASA-N	-1	0	262.265	0.616	20	30		CCEDRM
Cn1nc(C(=O)[O-])cc1CN1CCN(C2CC2)[C@@H](C#N)C1	ZINC001594571540	955884641	/nfs/dbraw/zinc/88/46/41/955884641.db2.gz	UZOZOLSZSQHYET-LBPRGKRZSA-N	-1	0	289.339	0.290	20	30		CCEDRM
C[C@@H](NC(=O)[C@@](C)(C#N)CC(=O)[O-])c1ccnn1C	ZINC001589088446	955918816	/nfs/dbraw/zinc/91/88/16/955918816.db2.gz	WHJFHHGFWQNLLX-PRHODGIISA-N	-1	0	264.285	0.602	20	30		CCEDRM
N#C[C@@H](CO)NC(=O)C1(C(=O)[O-])CCCCCC1	ZINC001594601159	956131796	/nfs/dbraw/zinc/13/17/96/956131796.db2.gz	IWFUVOHNISQKAY-VIFPVBQESA-N	-1	0	254.286	0.412	20	30		CCEDRM
N#CC1(CS(=O)(=O)N[C@H]2C[C@@H](C(=O)[O-])C2)CC1	ZINC001594602257	956143871	/nfs/dbraw/zinc/14/38/71/956143871.db2.gz	LEDCTSKGVBNKGZ-OCAPTIKFSA-N	-1	0	258.299	0.073	20	30		CCEDRM
N#C[C@@H](C(=O)CCC(=O)[O-])C(=O)NCc1ccccc1	ZINC001594602708	956149457	/nfs/dbraw/zinc/14/94/57/956149457.db2.gz	YACYUZMZEJVJBY-NSHDSACASA-N	-1	0	274.276	0.876	20	30		CCEDRM
N#CC[C@@H]1CCCN(C(=O)[C@@H]2CC(C(=O)[O-])=NO2)C1	ZINC001594605588	956168924	/nfs/dbraw/zinc/16/89/24/956168924.db2.gz	FUQONGAKXFNUIG-WPRPVWTQSA-N	-1	0	265.269	0.368	20	30		CCEDRM
CO[C@](C)(C(=O)[O-])C(=O)OCC(=O)c1cccc(C#N)c1	ZINC001593930875	956178547	/nfs/dbraw/zinc/17/85/47/956178547.db2.gz	NHKKLRSSWZPWTP-CQSZACIVSA-N	-1	0	291.259	0.774	20	30		CCEDRM
N#C[C@H]1CN(C(=O)[C@@H](C(=O)[O-])C2CCCC2)CCO1	ZINC001594606255	956179957	/nfs/dbraw/zinc/17/99/57/956179957.db2.gz	TWWSBBWNNJVKFO-QWRGUYRKSA-N	-1	0	266.297	0.628	20	30		CCEDRM
N#C[C@@H]1CSCCN1C(=O)c1ccc(C(=O)[O-])nc1	ZINC001594606400	956182323	/nfs/dbraw/zinc/18/23/23/956182323.db2.gz	WJMVUGGVDBFKRF-SECBINFHSA-N	-1	0	277.305	0.861	20	30		CCEDRM
CO[C@@](C)(C(=O)[O-])C(=O)OCc1cncc(C#N)c1	ZINC001593933887	956209387	/nfs/dbraw/zinc/20/93/87/956209387.db2.gz	PVMFNJYMTPJYLA-LBPRGKRZSA-N	-1	0	264.237	0.486	20	30		CCEDRM
N#C[C@H]1C[C@H]1C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)[O-]	ZINC001594611841	956221779	/nfs/dbraw/zinc/22/17/79/956221779.db2.gz	IETFLLFRZLBAIK-JLLWLGSASA-N	-1	0	274.276	0.664	20	30		CCEDRM
N#Cc1cc(F)cc(OCC(=O)NCC(=O)[O-])c1	ZINC001594615505	956233589	/nfs/dbraw/zinc/23/35/89/956233589.db2.gz	AUZUXCJDQIATQX-UHFFFAOYSA-N	-1	0	252.201	0.277	20	30		CCEDRM
CO[C@H](COC(=O)[C@@](C)(C#N)CC(=O)[O-])C1CC1	ZINC001593941288	956275460	/nfs/dbraw/zinc/27/54/60/956275460.db2.gz	DCDAFNKIUWSLTL-BXKDBHETSA-N	-1	0	255.270	0.959	20	30		CCEDRM
N#Cc1ccc(NCC(=O)N2CC(C(=O)[O-])C2)cc1	ZINC001594622980	956294986	/nfs/dbraw/zinc/29/49/86/956294986.db2.gz	SJGXGMXNKCEERN-UHFFFAOYSA-N	-1	0	259.265	0.513	20	30		CCEDRM
N#Cc1cccc(CC(=O)NCCOCC(=O)[O-])c1	ZINC001594625126	956307495	/nfs/dbraw/zinc/30/74/95/956307495.db2.gz	DUIGFTCJGVIPKD-UHFFFAOYSA-N	-1	0	262.265	0.318	20	30		CCEDRM
N#Cc1cccc2[nH]cc(C(=O)N3CCO[C@H](C(=O)[O-])C3)c21	ZINC001594628563	956332836	/nfs/dbraw/zinc/33/28/36/956332836.db2.gz	CPHNOWOXDVSDIL-LBPRGKRZSA-N	-1	0	299.286	0.965	20	30		CCEDRM
N#Cc1c[nH]nc1NC(=O)c1cnc(C(=O)[O-])cn1	ZINC001594633076	956356939	/nfs/dbraw/zinc/35/69/39/956356939.db2.gz	MBQHLAAFBZNZEQ-UHFFFAOYSA-N	-1	0	258.197	0.022	20	30		CCEDRM
CO[C@@H]1CCN(C(=O)[C@](C)(C#N)CC(=O)[O-])C[C@H]1C	ZINC001593950337	956373986	/nfs/dbraw/zinc/37/39/86/956373986.db2.gz	VSKVNZIGCFMHIP-BREBYQMCSA-N	-1	0	268.313	0.874	20	30		CCEDRM
C[C@@]1(C#N)CCCN(C(=O)C(=O)N[C@H]2C[C@@H](C(=O)[O-])C2)C1	ZINC001589182700	956539792	/nfs/dbraw/zinc/53/97/92/956539792.db2.gz	OMUQRIPDEQMEDO-RBZYPMLTSA-N	-1	0	293.323	0.118	20	30		CCEDRM
C[C@]1(C(=O)[O-])CCN(C(=O)c2cccc(C#N)n2)C1	ZINC001589196806	956618505	/nfs/dbraw/zinc/61/85/05/956618505.db2.gz	YYTUYQBDDYMKQE-ZDUSSCGKSA-N	-1	0	259.265	0.890	20	30		CCEDRM
COCC[C@@](C)(C#N)NC(=O)[C@H]1CC[C@@H](C(=O)[O-])C1	ZINC001593989801	956824704	/nfs/dbraw/zinc/82/47/04/956824704.db2.gz	FWPSDABNZYBBAK-CWSCBRNRSA-N	-1	0	268.313	0.922	20	30		CCEDRM
Cc1cc(CNC(=O)[C@@](C)(C#N)CC(=O)[O-])n(C)n1	ZINC001594304228	957948361	/nfs/dbraw/zinc/94/83/61/957948361.db2.gz	LCSUYVHZALCRMO-GFCCVEGCSA-N	-1	0	264.285	0.349	20	30		CCEDRM
C#C[C@H](CC)NC(=O)C(=O)Nc1cccc(CC(=O)[O-])c1	ZINC001588369784	957965351	/nfs/dbraw/zinc/96/53/51/957965351.db2.gz	WMUIHRVRDXBMAZ-LLVKDONJSA-N	-1	0	288.303	0.780	20	30		CCEDRM
C#C[C@@H]1CCCCN1C(=O)C(=O)N1CCC[C@@H](C(=O)[O-])C1	ZINC001588385517	957971939	/nfs/dbraw/zinc/97/19/39/957971939.db2.gz	GLUSHMQDPTWCDV-VXGBXAGGSA-N	-1	0	292.335	0.324	20	30		CCEDRM
C#C[C@H](NCc1cc(C(=O)[O-])nn1C)[C@@H]1CCCO1	ZINC001588385734	957973029	/nfs/dbraw/zinc/97/30/29/957973029.db2.gz	HFLKCXJEXUTHSR-JQWIXIFHSA-N	-1	0	263.297	0.389	20	30		CCEDRM
C#CC1(O)CN(C(=O)N[C@@H](C)[C@@H]2C[C@H](C(=O)[O-])C2(C)C)C1	ZINC001588386422	957977845	/nfs/dbraw/zinc/97/78/45/957977845.db2.gz	RIKUOCGNOCKDGV-GARJFASQSA-N	-1	0	294.351	0.511	20	30		CCEDRM
C#CC(C)(C)NC(=O)Nc1ccn(CC(=O)[O-])n1	ZINC001588386487	957979171	/nfs/dbraw/zinc/97/91/71/957979171.db2.gz	BCOVXZGPDHNLOT-UHFFFAOYSA-N	-1	0	250.258	0.501	20	30		CCEDRM
C#CC1(NC(=O)NCCOCCOCC(=O)[O-])CCCC1	ZINC001588387083	957984188	/nfs/dbraw/zinc/98/41/88/957984188.db2.gz	YEZPSMWYQWFGIP-UHFFFAOYSA-N	-1	0	298.339	0.349	20	30		CCEDRM
C#C[C@@H](CC)NC(=O)N[C@H]1CCCCN(CC(=O)[O-])C1=O	ZINC001588387161	957986291	/nfs/dbraw/zinc/98/62/91/957986291.db2.gz	GMIHLZANGCJNCO-QWRGUYRKSA-N	-1	0	295.339	0.163	20	30		CCEDRM
C#CC[C@@H](CO)NC(=O)NCC(CC)(CC)C(=O)[O-]	ZINC001588388566	957996765	/nfs/dbraw/zinc/99/67/65/957996765.db2.gz	COSDDOAPSAGZEA-JTQLQIEISA-N	-1	0	270.329	0.561	20	30		CCEDRM
C#CC[C@H](CO)NC(=O)NC[C@@H](C(=O)[O-])C(C)C	ZINC001588389059	958003975	/nfs/dbraw/zinc/00/39/75/958003975.db2.gz	LNQKFEZKOQEXST-NXEZZACHSA-N	-1	0	256.302	0.027	20	30		CCEDRM
C#CCCCCC(=O)Nc1ncn(CC(=O)[O-])n1	ZINC001588390708	958012339	/nfs/dbraw/zinc/01/23/39/958012339.db2.gz	CYLXLEWESAKSDL-UHFFFAOYSA-N	-1	0	250.258	0.495	20	30		CCEDRM
C#CC[C@@H]1CCCN(C(=O)C(=O)NC[C@@H](C)C(=O)[O-])C1	ZINC001588391683	958027204	/nfs/dbraw/zinc/02/72/04/958027204.db2.gz	LSXZNEHBVNZAPG-GHMZBOCLSA-N	-1	0	280.324	0.085	20	30		CCEDRM
C#CCCCC(=O)N[C@@H](CCC(=O)OC)C(=O)[O-]	ZINC001588392386	958033601	/nfs/dbraw/zinc/03/36/01/958033601.db2.gz	YVSBCICXDSRZPY-VIFPVBQESA-N	-1	0	255.270	0.313	20	30		CCEDRM
C#CCN(CC(=O)[O-])C(=O)C(=O)Nc1ccc(C)cc1F	ZINC001588395108	958038371	/nfs/dbraw/zinc/03/83/71/958038371.db2.gz	JQGQMMAOFCGRCO-UHFFFAOYSA-N	-1	0	292.266	0.619	20	30		CCEDRM
C#CCN(CC(=O)[O-])C(=O)C1CCN(C(=O)OCC)CC1	ZINC001588399460	958072099	/nfs/dbraw/zinc/07/20/99/958072099.db2.gz	KWYZZAUQXSVXQB-UHFFFAOYSA-N	-1	0	296.323	0.401	20	30		CCEDRM
C#CCN(CC(=O)[O-])C(=O)/C=C\C1CCOCC1	ZINC001588399354	958072357	/nfs/dbraw/zinc/07/23/57/958072357.db2.gz	JHVNNHZTHNCFGJ-ARJAWSKDSA-N	-1	0	251.282	0.516	20	30		CCEDRM
C#CCN(CC(=O)[O-])C(=O)C1CCC(OC)CC1	ZINC001588400179	958078928	/nfs/dbraw/zinc/07/89/28/958078928.db2.gz	SGEZYUAMMXDIGL-UHFFFAOYSA-N	-1	0	253.298	0.738	20	30		CCEDRM
N#Cc1ccnc(NCCn2cc(C(=O)[O-])nn2)c1	ZINC000089696659	958081733	/nfs/dbraw/zinc/08/17/33/958081733.db2.gz	PCOAWFUFIZUYHH-UHFFFAOYSA-N	-1	0	258.241	0.355	20	30		CCEDRM
C#CCN(CC(=O)[O-])C(=O)C[C@@H]1Cc2ccccc2O1	ZINC001588402641	958092724	/nfs/dbraw/zinc/09/27/24/958092724.db2.gz	YZAPIAPMARKLGO-LBPRGKRZSA-N	-1	0	273.288	0.927	20	30		CCEDRM
C#CCN(CC(=O)[O-])C(=O)Cc1ccn(C(C)C)n1	ZINC001588406635	958095514	/nfs/dbraw/zinc/09/55/14/958095514.db2.gz	BPAFRALCBSUDHK-UHFFFAOYSA-N	-1	0	263.297	0.553	20	30		CCEDRM
COc1cc(NC(=O)[C@@H](OC)C(=O)[O-])c(F)cc1C#N	ZINC001594062805	958110017	/nfs/dbraw/zinc/11/00/17/958110017.db2.gz	GELXDMWITLPXNE-SNVBAGLBSA-N	-1	0	282.227	0.744	20	30		CCEDRM
C#CCN(CC(=O)[O-])C(=O)NCc1cccc(F)n1	ZINC001588408746	958116328	/nfs/dbraw/zinc/11/63/28/958116328.db2.gz	BSOYZXDCHKYWEG-UHFFFAOYSA-N	-1	0	265.244	0.450	20	30		CCEDRM
C#CCN(CC(=O)[O-])C(=O)NC[C@@H](CC(=O)OC)C1CC1	ZINC001588409092	958123276	/nfs/dbraw/zinc/12/32/76/958123276.db2.gz	BQQOLEUCWWVIID-LLVKDONJSA-N	-1	0	296.323	0.305	20	30		CCEDRM
C#CCNCC(=O)N1C[C@@H](C(=O)[O-])Oc2ccccc21	ZINC000092493083	958166479	/nfs/dbraw/zinc/16/64/79/958166479.db2.gz	BIDBCUAFWPIYAJ-LBPRGKRZSA-N	-1	0	274.276	0.088	20	30		CCEDRM
C#CCN(CC(=O)[O-])C(=O)c1cc(C)cn2ccnc12	ZINC001588417259	958168843	/nfs/dbraw/zinc/16/88/43/958168843.db2.gz	FDCSBKNPPYFFBV-UHFFFAOYSA-N	-1	0	271.276	0.803	20	30		CCEDRM
C#CCN(CC(=O)[O-])C(=O)c1sc(COC)nc1C	ZINC001588418393	958177064	/nfs/dbraw/zinc/17/70/64/958177064.db2.gz	DKAAYQRPDXIFQU-UHFFFAOYSA-N	-1	0	282.321	0.758	20	30		CCEDRM
C#CCN(CC(=O)[O-])C(=O)c1cn(C)nc1C(F)(F)F	ZINC001588418479	958179259	/nfs/dbraw/zinc/17/92/59/958179259.db2.gz	HZHXTJJXDFKEAT-UHFFFAOYSA-N	-1	0	289.213	0.599	20	30		CCEDRM
C#CCN(CC(=O)[O-])C(=O)c1cncc(OC)c1C	ZINC001588418453	958179522	/nfs/dbraw/zinc/17/95/22/958179522.db2.gz	GXWMPMZNFPNTDX-UHFFFAOYSA-N	-1	0	262.265	0.559	20	30		CCEDRM
C#CCN(CC(=O)[O-])C(=O)c1cnc2n1CCCC2	ZINC001588418551	958180783	/nfs/dbraw/zinc/18/07/83/958180783.db2.gz	LTZQPMSYVCPGKM-UHFFFAOYSA-N	-1	0	261.281	0.379	20	30		CCEDRM
C#CCN(CC(=O)[O-])C[C@@H]1CCC[C@]2(CCOC2)O1	ZINC001588423629	958204648	/nfs/dbraw/zinc/20/46/48/958204648.db2.gz	AAIJWKLZQWHOQY-GXTWGEPZSA-N	-1	0	267.325	0.734	20	30		CCEDRM
COc1ccc(C#N)cc1COC(=O)[C@@H](OC)C(=O)[O-]	ZINC001594074914	958209804	/nfs/dbraw/zinc/20/98/04/958209804.db2.gz	BWCNOSCLWOBHBC-NSHDSACASA-N	-1	0	279.248	0.710	20	30		CCEDRM
C#CCN(CC(=O)[O-])c1nnc(-c2cnoc2C)n1C	ZINC001588426487	958229201	/nfs/dbraw/zinc/22/92/01/958229201.db2.gz	MVEXCDOHQAALIZ-UHFFFAOYSA-N	-1	0	275.268	0.303	20	30		CCEDRM
C#CCN(CC(=O)[O-])c1nnc(Cc2ccncc2)n1C	ZINC001588426892	958235692	/nfs/dbraw/zinc/23/56/92/958235692.db2.gz	FTAZYANWYKMWOR-UHFFFAOYSA-N	-1	0	285.307	0.325	20	30		CCEDRM
C#CCN(CC(=O)[O-])c1nnc([C@@H](C)CO)n1CC1CC1	ZINC001588426988	958236618	/nfs/dbraw/zinc/23/66/18/958236618.db2.gz	JHDSMXUVYVUBIH-JTQLQIEISA-N	-1	0	292.339	0.308	20	30		CCEDRM
C#CCN(CC(=O)[O-])c1nnc(CC(F)F)n1CC	ZINC001588427247	958242661	/nfs/dbraw/zinc/24/26/61/958242661.db2.gz	RJMOJCMHPYXKMM-UHFFFAOYSA-N	-1	0	272.255	0.630	20	30		CCEDRM
C#CCN1CCC[C@@H](NC(=O)N2CC[C@](C)(C(=O)[O-])C2)C1	ZINC001588430935	958263281	/nfs/dbraw/zinc/26/32/81/958263281.db2.gz	QRPUELFOMVYZRF-DOMZBBRYSA-N	-1	0	293.367	0.590	20	30		CCEDRM
C#CCOCCN(C)C(=O)[C@@]1(C(=O)[O-])CC1(C)C	ZINC001588431004	958263613	/nfs/dbraw/zinc/26/36/13/958263613.db2.gz	JFJYHYCFEUMPTF-CYBMUJFWSA-N	-1	0	253.298	0.596	20	30		CCEDRM
C#CCOCCn1nnnc1N1CCC[C@@H](CC(=O)[O-])C1	ZINC001588431670	958272476	/nfs/dbraw/zinc/27/24/76/958272476.db2.gz	UMZFPWMYEYLVRN-NSHDSACASA-N	-1	0	293.327	0.014	20	30		CCEDRM
C#Cc1ccc(C(=O)N2CC[C@](COC)(C(=O)[O-])C2)cn1	ZINC001588432913	958289152	/nfs/dbraw/zinc/28/91/52/958289152.db2.gz	HHGISHFTZCAIOI-HNNXBMFYSA-N	-1	0	288.303	0.626	20	30		CCEDRM
C#CCSCCOC(=O)c1cccn(CC(=O)[O-])c1=O	ZINC001588432938	958289638	/nfs/dbraw/zinc/28/96/38/958289638.db2.gz	HYVUFHCDVLTFRK-UHFFFAOYSA-N	-1	0	295.316	0.456	20	30		CCEDRM
C#Cc1ccc(C(=O)N[C@H](C(=O)[O-])c2ccnn2C)nc1	ZINC001588433449	958297350	/nfs/dbraw/zinc/29/73/50/958297350.db2.gz	QSJWHEGIINIRRS-LBPRGKRZSA-N	-1	0	284.275	0.352	20	30		CCEDRM
C=C(C)[C@@H](CO)n1cc(CN2CCC(C(=O)[O-])CC2)nn1	ZINC001588441251	958335152	/nfs/dbraw/zinc/33/51/52/958335152.db2.gz	HXNYRCIUSNNLBJ-CYBMUJFWSA-N	-1	0	294.355	0.684	20	30		CCEDRM
C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)[C@@H]1CC(C(=O)[O-])=NO1	ZINC001588442992	958349437	/nfs/dbraw/zinc/34/94/37/958349437.db2.gz	WPGBRMZDVXLUEZ-MIMYLULJSA-N	-1	0	282.296	0.313	20	30		CCEDRM
C=C1CN(C(=O)N[C@H]2CCCCN(CC(=O)[O-])C2=O)C1	ZINC001588447049	958380548	/nfs/dbraw/zinc/38/05/48/958380548.db2.gz	IQSCELUYFYRNBK-JTQLQIEISA-N	-1	0	281.312	0.034	20	30		CCEDRM
N#CCSCC(=O)Nc1cccc(C(=O)[O-])n1	ZINC000110933448	958399840	/nfs/dbraw/zinc/39/98/40/958399840.db2.gz	GRRFAZHYHYUECP-UHFFFAOYSA-N	-1	0	251.267	0.975	20	30		CCEDRM
C=C[C@H](O)c1nnc(N2CCC(C(=O)[O-])CC2)n1CC	ZINC001588452289	958420571	/nfs/dbraw/zinc/42/05/71/958420571.db2.gz	MPIGBXONYOSPTO-JTQLQIEISA-N	-1	0	280.328	0.818	20	30		CCEDRM
C=CC[C@H](C)NC(=O)C1(C(=O)[O-])CCS(=O)(=O)CC1	ZINC001588452792	958427154	/nfs/dbraw/zinc/42/71/54/958427154.db2.gz	JSYBICYGJDBTMR-VIFPVBQESA-N	-1	0	289.353	0.347	20	30		CCEDRM
C=CCC1(NC(=O)[C@H]2CC(C(=O)[O-])=NO2)CCOCC1	ZINC001588457551	958451576	/nfs/dbraw/zinc/45/15/76/958451576.db2.gz	DTCFYAPJSLWPRY-SNVBAGLBSA-N	-1	0	282.296	0.457	20	30		CCEDRM
C=CCC1(O)CCN(C(=O)c2cc(C(=O)[O-])n[nH]2)CC1	ZINC001588458023	958456851	/nfs/dbraw/zinc/45/68/51/958456851.db2.gz	PCONQBPOAJTIEX-UHFFFAOYSA-N	-1	0	279.296	0.651	20	30		CCEDRM
Cn1cc(S(=O)(=O)NCC(C)(C)C#N)cc1C(=O)[O-]	ZINC000122199145	958474836	/nfs/dbraw/zinc/47/48/36/958474836.db2.gz	MYQJMGYZVKPLMX-UHFFFAOYSA-N	-1	0	285.325	0.551	20	30		CCEDRM
C#CCN(CC(=O)[O-])[C@H]1CCN(c2ccccc2)C1=O	ZINC001573320837	958478476	/nfs/dbraw/zinc/47/84/76/958478476.db2.gz	PAKKQYUHFHARSN-ZDUSSCGKSA-N	-1	0	272.304	0.812	20	30		CCEDRM
C=CCN(CN1C[C@@H](C(=O)[O-])CC1=O)[C@H](C)COC	ZINC001588464431	958491309	/nfs/dbraw/zinc/49/13/09/958491309.db2.gz	QPDMUGVMSWRILY-MNOVXSKESA-N	-1	0	270.329	0.400	20	30		CCEDRM
C=CCNC(=O)NC(=O)COC(=O)[C@@]1(C(=O)[O-])CC1(C)C	ZINC001588465503	958505038	/nfs/dbraw/zinc/50/50/38/958505038.db2.gz	NWSNBFMVXMBFEJ-ZDUSSCGKSA-N	-1	0	298.295	0.042	20	30		CCEDRM
C=CCN1CC[C@H](OC(=O)[C@@H](C(=O)[O-])C2CC2)C1=O	ZINC001588465652	958507198	/nfs/dbraw/zinc/50/71/98/958507198.db2.gz	VYXZHZUFJDGOTC-VHSXEESVSA-N	-1	0	267.281	0.427	20	30		CCEDRM
C=CCn1c([C@H](O)CC)nnc1N1CC[C@@H](C(=O)[O-])C1	ZINC001588470653	958529291	/nfs/dbraw/zinc/52/92/91/958529291.db2.gz	QQZBXTDIEKTLQJ-NXEZZACHSA-N	-1	0	280.328	0.818	20	30		CCEDRM
C=CCn1c(-c2cc[nH]n2)nnc1N1CC[C@@H](C(=O)[O-])C1	ZINC001588470971	958533466	/nfs/dbraw/zinc/53/34/66/958533466.db2.gz	YHPVKOQQHJPALR-SECBINFHSA-N	-1	0	288.311	0.765	20	30		CCEDRM
C=CCn1cc(CNC(=O)N[C@H]2C[C@H](C(=O)[O-])C2)nn1	ZINC001588474624	958557152	/nfs/dbraw/zinc/55/71/52/958557152.db2.gz	KXMOCOAQQJTVQS-KYZUINATSA-N	-1	0	279.300	0.127	20	30		CCEDRM
C=C[C@@H]1OCC[C@H]1C(=O)N[C@H]1CC[C@@H](C(=O)[O-])C1	ZINC001588478622	958569726	/nfs/dbraw/zinc/56/97/26/958569726.db2.gz	SBLMHASBGYNWPT-YTWAJWBKSA-N	-1	0	253.298	0.947	20	30		CCEDRM
C[C@](C#N)(CC(=O)[O-])C(=O)N1CC[C@H](c2cc(=O)[nH][nH]2)C1	ZINC001573360566	958592614	/nfs/dbraw/zinc/59/26/14/958592614.db2.gz	VXIXOWQMVNCZMN-ISVAXAHUSA-N	-1	0	292.295	0.436	20	30		CCEDRM
N#Cc1ccc(F)c(CN2C[C@@H](O)C[C@@H]2C(=O)[O-])c1	ZINC000132025935	958760479	/nfs/dbraw/zinc/76/04/79/958760479.db2.gz	SKYWOPMHGIVGLL-CMPLNLGQSA-N	-1	0	264.256	0.717	20	30		CCEDRM
C[C@](C#N)(CC(=O)[O-])C(=O)N1CC[C@@H]2NC(=O)CC[C@@H]2C1	ZINC001588535497	958929878	/nfs/dbraw/zinc/92/98/78/958929878.db2.gz	OPXTXHVNZNFMBB-ISTVAULSSA-N	-1	0	293.323	0.118	20	30		CCEDRM
C[C@@](C#N)(CC(=O)[O-])C(=O)N1CCO[C@H](CF)C1	ZINC001588538323	958941266	/nfs/dbraw/zinc/94/12/66/958941266.db2.gz	HENNXXWEBAFNHI-KCJUWKMLSA-N	-1	0	258.249	0.188	20	30		CCEDRM
C[C@@](C#N)(CC(=O)[O-])C(=O)N[C@@H]1CCn2cncc2C1	ZINC001588538817	958946616	/nfs/dbraw/zinc/94/66/16/958946616.db2.gz	OAHZXHGXMGVXKF-RNCFNFMXSA-N	-1	0	276.296	0.319	20	30		CCEDRM
C#CC[C@@H](NC(=O)c1cnc2onc(C)c2c1)C(=O)[O-]	ZINC000149859424	959029501	/nfs/dbraw/zinc/02/95/01/959029501.db2.gz	LFICTBXPLUDODP-SNVBAGLBSA-N	-1	0	273.248	0.738	20	30		CCEDRM
C#CC[C@@H](NS(=O)(=O)c1cc(C)ccc1OC)C(=O)[O-]	ZINC000159580059	959121975	/nfs/dbraw/zinc/12/19/75/959121975.db2.gz	XOCCRRMEFWJPKB-SNVBAGLBSA-N	-1	0	297.332	0.758	20	30		CCEDRM
Cc1nc(C(=O)Nc2ccn(CC(=O)[O-])n2)ccc1C#N	ZINC000178222441	959428542	/nfs/dbraw/zinc/42/85/42/959428542.db2.gz	OHNCTBGCVMOWDT-UHFFFAOYSA-N	-1	0	285.263	0.795	20	30		CCEDRM
Cc1[nH]c(C#N)cc1C(=O)OCCOCCC(=O)[O-]	ZINC001594247254	959587730	/nfs/dbraw/zinc/58/77/30/959587730.db2.gz	FDQZFCBBGLDRJL-UHFFFAOYSA-N	-1	0	266.253	0.843	20	30		CCEDRM
Cc1nnsc1CNC(=O)[C@](C)(C#N)CC(=O)[O-]	ZINC001594495296	959747117	/nfs/dbraw/zinc/74/71/17/959747117.db2.gz	NDIULCZANHERMW-JTQLQIEISA-N	-1	0	268.298	0.467	20	30		CCEDRM
C=CCN(CC=C)C(=O)CN1CCSC[C@@H]1C(=O)[O-]	ZINC000215358228	959751408	/nfs/dbraw/zinc/75/14/08/959751408.db2.gz	VITBEAINLWZZHV-LLVKDONJSA-N	-1	0	284.381	0.689	20	30		CCEDRM
N#Cc1cccc(CN2CCOC[C@H]2C(=O)[O-])c1F	ZINC000222395016	959814827	/nfs/dbraw/zinc/81/48/27/959814827.db2.gz	INLKXEJLUMLBSD-NSHDSACASA-N	-1	0	264.256	0.983	20	30		CCEDRM
N#CCSCC(=O)N1C[C@@H]2CCC[C@H]2[C@@H]1C(=O)[O-]	ZINC000228977607	960048620	/nfs/dbraw/zinc/04/86/20/960048620.db2.gz	SNXKFKQWGGFCPW-IQJOONFLSA-N	-1	0	268.338	0.955	20	30		CCEDRM
C=CCNC(=O)NC(=O)CN1CC[C@@H](C)C[C@@H]1C(=O)[O-]	ZINC000229301474	960073418	/nfs/dbraw/zinc/07/34/18/960073418.db2.gz	BTFHBUKRWNDNEQ-NXEZZACHSA-N	-1	0	283.328	0.183	20	30		CCEDRM
C=CCCOCCNC(=O)NCC1(C(=O)[O-])CC1	ZINC000231837249	960209081	/nfs/dbraw/zinc/20/90/81/960209081.db2.gz	YIMGYZZKOLXLAU-UHFFFAOYSA-N	-1	0	256.302	0.743	20	30		CCEDRM
COc1cc(CN2CCOC[C@H]2C(=O)[O-])ccc1C#N	ZINC000234987821	960380202	/nfs/dbraw/zinc/38/02/02/960380202.db2.gz	CCZNDDGEZLRNLD-LBPRGKRZSA-N	-1	0	276.292	0.852	20	30		CCEDRM
C[C@@H]1CN(S(=O)(=O)c2cccnc2C#N)C[C@H]1C(=O)[O-]	ZINC000235371334	960424204	/nfs/dbraw/zinc/42/42/04/960424204.db2.gz	ZNHWQRXCEMHPIR-RKDXNWHRSA-N	-1	0	295.320	0.294	20	30		CCEDRM
N#Cc1cccc(C(=O)N[C@H](C[C@@H]2CCCO2)C(=O)[O-])n1	ZINC001571035000	960518528	/nfs/dbraw/zinc/51/85/28/960518528.db2.gz	FWVYEUDQEIFYND-CMPLNLGQSA-N	-1	0	289.291	0.705	20	30		CCEDRM
N#Cc1ccc(CC(=O)NC[C@]2(C(=O)[O-])CCOC2)cn1	ZINC001571036498	960542060	/nfs/dbraw/zinc/54/20/60/960542060.db2.gz	ZJYBMMILDQDWRF-CQSZACIVSA-N	-1	0	289.291	0.103	20	30		CCEDRM
C[C@@H]1CC[C@@H](O)CN1C(=O)[C@@](C)(C#N)CC(=O)[O-]	ZINC001574268585	960605503	/nfs/dbraw/zinc/60/55/03/960605503.db2.gz	RUPSHMABFVSTAR-KBVBSXBZSA-N	-1	0	254.286	0.363	20	30		CCEDRM
CC(C)[C@@H](C(=O)[O-])C(=O)OCC(=O)N[C@](C)(C#N)C(C)C	ZINC001588813865	961542609	/nfs/dbraw/zinc/54/26/09/961542609.db2.gz	MFJNXYILSWTGSP-SMDDNHRTSA-N	-1	0	298.339	0.941	20	30		CCEDRM
CC(C)[C@H](C(=O)[O-])C(=O)OCC(=O)N[C@](C)(C#N)C(C)C	ZINC001588813862	961543366	/nfs/dbraw/zinc/54/33/66/961543366.db2.gz	MFJNXYILSWTGSP-BXUZGUMPSA-N	-1	0	298.339	0.941	20	30		CCEDRM
CC(C)[C@@H](CNC(=O)C(=O)N1CCC[C@@H](C#N)C1)C(=O)[O-]	ZINC001588815404	961568942	/nfs/dbraw/zinc/56/89/42/961568942.db2.gz	OYIVCCBZQANSCJ-WDEREUQCSA-N	-1	0	295.339	0.222	20	30		CCEDRM
N#CCn1cc(NC(=O)[C@H]2CO[C@H](CCC(=O)[O-])C2)cn1	ZINC001574479569	961650046	/nfs/dbraw/zinc/65/00/46/961650046.db2.gz	JYBIWYPKKXURNZ-MWLCHTKSSA-N	-1	0	292.295	0.615	20	30		CCEDRM
N#C[C@H]1C[C@H]1C(=O)NC[C@H]1CCC2(CC(C(=O)[O-])C2)O1	ZINC001574479950	961654479	/nfs/dbraw/zinc/65/44/79/961654479.db2.gz	RPZXJMGXZPVUJL-YEXWAHOLSA-N	-1	0	278.308	0.675	20	30		CCEDRM
N#CC1(NC(=O)c2cn(CC(=O)[O-])nn2)CCCCC1	ZINC001574480389	961661665	/nfs/dbraw/zinc/66/16/65/961661665.db2.gz	JAJUKTPYEIBIGX-UHFFFAOYSA-N	-1	0	277.284	0.319	20	30		CCEDRM
N#Cc1ccc(F)cc1N1CCOC[C@H]1C(=O)[O-]	ZINC001574487686	961689619	/nfs/dbraw/zinc/68/96/19/961689619.db2.gz	FLOIPUJCZIEUTH-NSHDSACASA-N	-1	0	250.229	0.987	20	30		CCEDRM
N#Cc1ccc(F)c(CNC(=O)[C@@H]2CC(C(=O)[O-])=NO2)c1	ZINC001574489062	961701504	/nfs/dbraw/zinc/70/15/04/961701504.db2.gz	XXDHGYSLTHCTOL-NSHDSACASA-N	-1	0	291.238	0.543	20	30		CCEDRM
N#Cc1cccc([C@@H](O)CN2CCOC[C@@H]2C(=O)[O-])c1	ZINC001574490063	961710201	/nfs/dbraw/zinc/71/02/01/961710201.db2.gz	TWZJBNWYLCXQHD-OLZOCXBDSA-N	-1	0	276.292	0.377	20	30		CCEDRM
N#Cc1csc(CNC(=O)[C@@H]2CC[C@H]2C(=O)[O-])n1	ZINC001574493860	961722582	/nfs/dbraw/zinc/72/25/82/961722582.db2.gz	SIZMGLVYWOMCAY-HTQZYQBOSA-N	-1	0	265.294	0.742	20	30		CCEDRM
C#CC[C@@H](COC)NC(=O)[C@H]1CC[C@@H](CCC(=O)[O-])O1	ZINC001573301924	962640159	/nfs/dbraw/zinc/64/01/59/962640159.db2.gz	HBRBXRUZLWEFPI-SDDRHHMPSA-N	-1	0	283.324	0.553	20	30		CCEDRM
C[C@@H](CC#N)N(C)S(=O)(=O)N([C@@H](C)C(=O)[O-])C1CC1	ZINC001588987712	962762821	/nfs/dbraw/zinc/76/28/21/962762821.db2.gz	BTHBQIIEILOFIY-IUCAKERBSA-N	-1	0	289.357	0.403	20	30		CCEDRM
C=C(C)CCC(=O)N1CC[C@H]1CNC(=O)CNC(=O)[O-]	ZINC001573324160	962781626	/nfs/dbraw/zinc/78/16/26/962781626.db2.gz	NNMZLBOUCRLFAC-JTQLQIEISA-N	-1	0	283.328	0.327	20	30		CCEDRM
C=C(CCC(=O)[O-])C(=O)N1CCC[C@@]1(C)C(=O)OC	ZINC001573332174	962825420	/nfs/dbraw/zinc/82/54/20/962825420.db2.gz	JUHDGXOVPRAJIO-ZDUSSCGKSA-N	-1	0	269.297	0.962	20	30		CCEDRM
CC[C@](C)(C#N)C(=O)NC[C@H](C(=O)[O-])[C@@H]1CCOC1	ZINC001520199338	962844028	/nfs/dbraw/zinc/84/40/28/962844028.db2.gz	KEBZHYQVURIKBB-GBIKHYSHSA-N	-1	0	268.313	0.780	20	30		CCEDRM
C[C@H](CC(=O)[O-])NC(=O)N1CCO[C@](C)(C#N)C1	ZINC001588997336	962861655	/nfs/dbraw/zinc/86/16/55/962861655.db2.gz	BKDYSWUPGJUYBX-LDYMZIIASA-N	-1	0	255.274	0.174	20	30		CCEDRM
C[C@@H](CC(=O)[O-])NC(=O)N1CCN(CCC#N)CC1	ZINC001588997537	962865078	/nfs/dbraw/zinc/86/50/78/962865078.db2.gz	DMVHYPNHTJOSCM-JTQLQIEISA-N	-1	0	268.317	0.090	20	30		CCEDRM
C=C(CO)C(=O)N(C)[C@H](COC1CCC1)C(=O)[O-]	ZINC001573338511	962875308	/nfs/dbraw/zinc/87/53/08/962875308.db2.gz	CWVNGHYRXPJNII-SNVBAGLBSA-N	-1	0	257.286	0.016	20	30		CCEDRM
C=C(Cl)CN1CCCN(C(=O)[C@H]2C[C@@H]2C(=O)[O-])CC1	ZINC001573338729	962879253	/nfs/dbraw/zinc/87/92/53/962879253.db2.gz	HGPREQPMSJWGEM-QWRGUYRKSA-N	-1	0	286.759	0.994	20	30		CCEDRM
C=C(Cl)CN1CC([C@@H](C)NC(=O)CNC(=O)[O-])C1	ZINC001573339073	962885455	/nfs/dbraw/zinc/88/54/55/962885455.db2.gz	NWBCYCIGALECEB-MRVPVSSYSA-N	-1	0	275.736	0.443	20	30		CCEDRM
C=C[C@@](C)(CC)C(=O)N[C@H](CC1OCCO1)C(=O)[O-]	ZINC001573346605	962940461	/nfs/dbraw/zinc/94/04/61/962940461.db2.gz	DSEKIKFETWBBHP-RNCFNFMXSA-N	-1	0	271.313	0.921	20	30		CCEDRM
Cc1[nH]c(C(=O)[O-])cc1C(=O)Cn1cc(C#N)cn1	ZINC001570980394	963085235	/nfs/dbraw/zinc/08/52/35/963085235.db2.gz	RLJTYTPYEZQWAV-UHFFFAOYSA-N	-1	0	258.237	0.972	20	30		CCEDRM
C=CCOC[C@@H](NCc1ccc(C(=O)[O-])n1C)C(=O)OC	ZINC001573369127	963092736	/nfs/dbraw/zinc/09/27/36/963092736.db2.gz	OXAANQMNCKDMMM-LLVKDONJSA-N	-1	0	296.323	0.557	20	30		CCEDRM
COC[C@](C)(NC(=O)c1cc(C#N)[nH]c1C)C(=O)[O-]	ZINC001570984431	963110573	/nfs/dbraw/zinc/11/05/73/963110573.db2.gz	CGFZQZDFPMJTCS-LBPRGKRZSA-N	-1	0	265.269	0.414	20	30		CCEDRM
N#C[C@H]1CC[C@@H](NC(=O)N2CCO[C@H](C(=O)[O-])C2)C1	ZINC001570989860	963143984	/nfs/dbraw/zinc/14/39/84/963143984.db2.gz	LEROBEMOLYTQMN-AEJSXWLSSA-N	-1	0	267.285	0.174	20	30		CCEDRM
N#C[C@H]1CC[C@@H](NS(=O)(=O)C2(C(=O)[O-])CCC2)C1	ZINC001570998345	963193282	/nfs/dbraw/zinc/19/32/82/963193282.db2.gz	BRLMVHROVWJDHX-DTWKUNHWSA-N	-1	0	272.326	0.605	20	30		CCEDRM
CCc1nc(C#N)cc(NC[C@]2(C(=O)[O-])CCOC2)n1	ZINC001571005772	963243334	/nfs/dbraw/zinc/24/33/34/963243334.db2.gz	ZLQOHVNDXAQJIE-CYBMUJFWSA-N	-1	0	276.296	0.814	20	30		CCEDRM
C#CC[C@H](NC(=O)/C=C\c1ccc(O)cc1)C(=O)[O-]	ZINC000311257109	963471329	/nfs/dbraw/zinc/47/13/29/963471329.db2.gz	DLXHBQDATTYGMY-PWWFUAJNSA-N	-1	0	259.261	0.998	20	30		CCEDRM
C#CCCCC(=O)OCCc1cn(CC(=O)[O-])nn1	ZINC001588439842	964030487	/nfs/dbraw/zinc/03/04/87/964030487.db2.gz	HQCAYUQAGLSICI-UHFFFAOYSA-N	-1	0	265.269	0.252	20	30		CCEDRM
N#Cc1ccc(F)c(CN2CCOC[C@H]2C(=O)[O-])c1	ZINC000088380270	967584393	/nfs/dbraw/zinc/58/43/93/967584393.db2.gz	KWFCNIODFAZEPP-LBPRGKRZSA-N	-1	0	264.256	0.983	20	30		CCEDRM
C#CCN(CC(=O)[O-])C(=O)COCc1ccccc1	ZINC000092477477	967594174	/nfs/dbraw/zinc/59/41/74/967594174.db2.gz	LXTBDKNUUAEULL-UHFFFAOYSA-N	-1	0	261.277	0.750	20	30		CCEDRM
C#CCN(CC(=O)[O-])C(=O)NCc1cccc([N+](=O)[O-])c1	ZINC000092491420	967597129	/nfs/dbraw/zinc/59/71/29/967597129.db2.gz	FOIQRIGNATUCFM-UHFFFAOYSA-N	-1	0	291.263	0.824	20	30		CCEDRM
COC[C@]1(C(=O)[O-])CCN(c2cc(C#N)nc(C)n2)C1	ZINC000308365261	967928090	/nfs/dbraw/zinc/92/80/90/967928090.db2.gz	NUONXHGBZDEWLU-ZDUSSCGKSA-N	-1	0	276.296	0.584	20	30		CCEDRM
O=C([O-])[C@@H]1CCC[C@@H]1NC(=O)NC[C@H]1CCCO1	ZINC000328581902	968053897	/nfs/dbraw/zinc/05/38/97/968053897.db2.gz	OMTGFBCJAUVSBU-BBBLOLIVSA-N	-1	0	256.302	0.922	20	30		CCEDRM
Cc1ccc(C(=O)NC[C@@](C)(O)C(=O)[O-])cc1C#N	ZINC001607730360	970396081	/nfs/dbraw/zinc/39/60/81/970396081.db2.gz	CQXNHSVHWYSLEM-CYBMUJFWSA-N	-1	0	262.265	0.432	20	30		CCEDRM
C#CCN(C(=O)C(=O)N1CC[C@@H](C(=O)[O-])C1)C1CCCC1	ZINC001609623778	970422475	/nfs/dbraw/zinc/42/24/75/970422475.db2.gz	BJUKSNJUXPWSAX-LLVKDONJSA-N	-1	0	292.335	0.324	20	30		CCEDRM
C=CC[C@@H](CO)NS(=O)(=O)c1ccc(C(=O)[O-])cc1C	ZINC000320234055	970635782	/nfs/dbraw/zinc/63/57/82/970635782.db2.gz	FIKXCMHWZXGQRJ-NSHDSACASA-N	-1	0	299.348	0.909	20	30		CCEDRM
C[C@@]1(C#N)CCCN(C(=O)c2cc(C(=O)[O-])n[nH]2)C1	ZINC001603290290	972545359	/nfs/dbraw/zinc/54/53/59/972545359.db2.gz	JTFVARAAZNQPNV-LBPRGKRZSA-N	-1	0	262.269	0.874	20	30		CCEDRM
CN(CCC(=O)[O-])C(=O)C(=O)N1CCC[C@@H](CC#N)C1	ZINC001604134471	972547011	/nfs/dbraw/zinc/54/70/11/972547011.db2.gz	ZJTFTHWBBLDSCK-JTQLQIEISA-N	-1	0	281.312	0.072	20	30		CCEDRM
C[C@H](O)C1CCN(C(=O)[C@@](C)(C#N)CC(=O)[O-])CC1	ZINC001605049789	972664324	/nfs/dbraw/zinc/66/43/24/972664324.db2.gz	CIMYYJRXHUEDFR-TVQRCGJNSA-N	-1	0	268.313	0.610	20	30		CCEDRM
Cc1c(C#N)c(NC(=O)c2cnc(C(=O)[O-])cn2)nn1C	ZINC001605074054	972699473	/nfs/dbraw/zinc/69/94/73/972699473.db2.gz	HEQBIEVKAZFJFC-UHFFFAOYSA-N	-1	0	286.251	0.341	20	30		CCEDRM
O=C([O-])C1(C(=O)NCC#CCO)CCCCCC1	ZINC001605922782	972811544	/nfs/dbraw/zinc/81/15/44/972811544.db2.gz	IGVICVGHOWKQMT-UHFFFAOYSA-N	-1	0	253.298	0.524	20	30		CCEDRM
C#C[C@H](CCC)NC(=O)N1C[C@H](O)C[C@H](C(=O)[O-])C1	ZINC000401821039	973420573	/nfs/dbraw/zinc/42/05/73/973420573.db2.gz	DMPASDQMUFMUSO-HBNTYKKESA-N	-1	0	268.313	0.265	20	30		CCEDRM
Cc1oc(C#N)cc1C(=O)N[C@@H](C(=O)[O-])c1ccnn1C	ZINC001605454915	973538824	/nfs/dbraw/zinc/53/88/24/973538824.db2.gz	PLDJGYFIAFAAFU-LLVKDONJSA-N	-1	0	288.263	0.749	20	30		CCEDRM
N#CC1CCN(C(=O)C(=O)N2CCC[C@H](C(=O)[O-])C2)CC1	ZINC001605582702	973867357	/nfs/dbraw/zinc/86/73/57/973867357.db2.gz	DESKEFPRQCMPMI-NSHDSACASA-N	-1	0	293.323	0.072	20	30		CCEDRM
N#Cc1ncn(CC(=O)NC2(C(=O)[O-])CCCCCC2)n1	ZINC001605626929	973960876	/nfs/dbraw/zinc/96/08/76/973960876.db2.gz	TVZAARZAUTUPRS-UHFFFAOYSA-N	-1	0	291.311	0.444	20	30		CCEDRM
CCCN1C[C@@H](CNC(=O)[C@](C)(C#N)CC(=O)[O-])CC1=O	ZINC001603672535	974049456	/nfs/dbraw/zinc/04/94/56/974049456.db2.gz	JOFVLWDZUHECTC-YGRLFVJLSA-N	-1	0	295.339	0.366	20	30		CCEDRM
CC(C)[C@@H](O)C(=O)N1CCC(C#N)(C(=O)[O-])CC1	ZINC001591844759	976122005	/nfs/dbraw/zinc/12/20/05/976122005.db2.gz	KRCRYFAWBYQHIZ-SECBINFHSA-N	-1	0	254.286	0.220	20	30		CCEDRM
CC(C)[C@@H](NS(=O)(=O)CC(C)(C)C#N)C(=O)[O-]	ZINC001591844929	976123489	/nfs/dbraw/zinc/12/34/89/976123489.db2.gz	ZFHKGHNTFHPZSP-MRVPVSSYSA-N	-1	0	262.331	0.565	20	30		CCEDRM
C[C@@H](CC#N)C(=O)N[C@@H](CCC1OCCO1)C(=O)[O-]	ZINC001592210864	977257675	/nfs/dbraw/zinc/25/76/75/977257675.db2.gz	HKMWPDBSZCVKOL-IUCAKERBSA-N	-1	0	270.285	0.259	20	30		CCEDRM
C[C@H](CC#N)NS(=O)(=O)CC1(C(=O)[O-])CCCC1	ZINC001592221451	977399549	/nfs/dbraw/zinc/39/95/49/977399549.db2.gz	HAVBKIYXXCMMCU-SECBINFHSA-N	-1	0	274.342	0.853	20	30		CCEDRM
C[C@H](CC#N)NS(=O)(=O)[C@H]1CCCC[C@@H]1C(=O)[O-]	ZINC001592222592	977409190	/nfs/dbraw/zinc/40/91/90/977409190.db2.gz	ZBNJUVNSXQJZDR-UTLUCORTSA-N	-1	0	274.342	0.851	20	30		CCEDRM
C[C@H](CC(=O)[O-])C(=O)O[C@H](C)C(=O)NC1(C#N)CCC1	ZINC001592367054	977869182	/nfs/dbraw/zinc/86/91/82/977869182.db2.gz	IDMGHJVOXAVDPW-RKDXNWHRSA-N	-1	0	282.296	0.591	20	30		CCEDRM
CCC[C@H](C#N)NS(=O)(=O)c1cncc(C(=O)[O-])c1	ZINC001595533220	981375411	/nfs/dbraw/zinc/37/54/11/981375411.db2.gz	UYWHXYLPNZLTEC-SECBINFHSA-N	-1	0	283.309	0.750	20	30		CCEDRM
CC[C@@H](C)[C@@H](C(=O)[O-])N(CC#N)CCC(=O)OC	ZINC001594874806	982204987	/nfs/dbraw/zinc/20/49/87/982204987.db2.gz	FBQUSDXDDRKURQ-KOLCDFICSA-N	-1	0	256.302	0.874	20	30		CCEDRM
CC[C@H](C)[C@@H](NC(=O)Cn1ccnc1C#N)C(=O)[O-]	ZINC001594908516	982399569	/nfs/dbraw/zinc/39/95/69/982399569.db2.gz	HCZKKGNDNWBOSA-GZMMTYOYSA-N	-1	0	264.285	0.370	20	30		CCEDRM
CC[C@@H](C)CS(=O)(=O)N(CC#N)CCC(=O)[O-]	ZINC001594964229	982718012	/nfs/dbraw/zinc/71/80/12/982718012.db2.gz	HLGLNMYDRUFNQZ-SECBINFHSA-N	-1	0	262.331	0.663	20	30		CCEDRM
CCCN1C[C@@H](C(=O)N(CC#N)CCC(=O)[O-])CC1=O	ZINC001595897260	982945736	/nfs/dbraw/zinc/94/57/36/982945736.db2.gz	XSFIHGSBKZSQEM-JTQLQIEISA-N	-1	0	281.312	0.072	20	30		CCEDRM
CCC[C@H](NS(=O)(=O)c1ccc(C#N)cn1)C(=O)[O-]	ZINC001596024762	983287075	/nfs/dbraw/zinc/28/70/75/983287075.db2.gz	YDRYLLFYWKXFJX-VIFPVBQESA-N	-1	0	283.309	0.485	20	30		CCEDRM
C#CC(C)(C)NC(=O)CC[C@@H]1C[C@H](C(=O)[O-])CO1	ZINC001588367463	983299482	/nfs/dbraw/zinc/29/94/82/983299482.db2.gz	UTCBSOSGFUIFLQ-VHSXEESVSA-N	-1	0	253.298	0.784	20	30		CCEDRM
C#C[C@@H](C)NS(=O)(=O)c1cc(COC)cc(C(=O)[O-])c1	ZINC001588367911	983302118	/nfs/dbraw/zinc/30/21/18/983302118.db2.gz	CQIAEMGJROFHMW-SECBINFHSA-N	-1	0	297.332	0.831	20	30		CCEDRM
C#C[C@H](C)N(C)S(=O)(=O)CC1(C(=O)[O-])CCC1	ZINC001588368118	983303863	/nfs/dbraw/zinc/30/38/63/983303863.db2.gz	GTCJZOPYRCBAPT-VIFPVBQESA-N	-1	0	259.327	0.525	20	30		CCEDRM
C#C[C@H](CC)NC(=O)N1CCC([C@@H](O)C(=O)[O-])CC1	ZINC001588369800	983317291	/nfs/dbraw/zinc/31/72/91/983317291.db2.gz	WWNCPSNGSJAWBQ-GHMZBOCLSA-N	-1	0	268.313	0.265	20	30		CCEDRM
C#C[C@H](CO)NC(=O)Nc1ccc([C@@H]2C[C@H]2C(=O)[O-])cc1	ZINC001588370941	983323291	/nfs/dbraw/zinc/32/32/91/983323291.db2.gz	RFSWWCKXJLQFGE-KGYLQXTDSA-N	-1	0	288.303	0.990	20	30		CCEDRM
C#C[C@H](CCC)NS(=O)(=O)c1cncc(C(=O)[O-])c1	ZINC001588371112	983324989	/nfs/dbraw/zinc/32/49/89/983324989.db2.gz	WQVXRMMCTFRQNO-SNVBAGLBSA-N	-1	0	282.321	0.860	20	30		CCEDRM
C#C[C@@H](NC(=O)N1C[C@@H](C)O[C@H](C(=O)[O-])C1)[C@H]1CCCO1	ZINC001588372141	983328828	/nfs/dbraw/zinc/32/88/28/983328828.db2.gz	DQHKFFDBDMLXEM-KKOKHZNYSA-N	-1	0	296.323	0.051	20	30		CCEDRM
C#C[C@H](NC(=O)CN1CCC[C@@H](C(=O)[O-])C1=O)C(C)(C)C	ZINC001588372459	983331184	/nfs/dbraw/zinc/33/11/84/983331184.db2.gz	LEHDRBCSMNEUER-MNOVXSKESA-N	-1	0	294.351	0.474	20	30		CCEDRM
C#C[C@H]1CCCN(CC(=O)N[C@H](C(=O)[O-])C(C)C)C1	ZINC001588383116	983377742	/nfs/dbraw/zinc/37/77/42/983377742.db2.gz	NZAKVZASRLBNFP-AAEUAGOBSA-N	-1	0	266.341	0.557	20	30		CCEDRM
C#C[C@@H]1COCCN1C(=O)NC/C=C(\C)C(=O)[O-]	ZINC001588383926	983385039	/nfs/dbraw/zinc/38/50/39/983385039.db2.gz	PHLHTNGLEUAPSK-WXLQGSQKSA-N	-1	0	252.270	0.061	20	30		CCEDRM
C#CCC(C)(C)C(=O)N1C[C@H]2COCC[C@@]2(C(=O)[O-])C1	ZINC001588383989	983385529	/nfs/dbraw/zinc/38/55/29/983385529.db2.gz	RDNZABMHTNEWLS-XHDPSFHLSA-N	-1	0	279.336	0.986	20	30		CCEDRM
C#CC[C@@H](CCOC)NC(=O)N(C)[C@H]1C[C@@H](C(=O)[O-])C1	ZINC001588395767	983406445	/nfs/dbraw/zinc/40/64/45/983406445.db2.gz	SYXCBWQJIPNGNG-SDDRHHMPSA-N	-1	0	282.340	0.919	20	30		CCEDRM
C#CC[C@@H](CO)NC(=O)Nc1ccc(OCC(=O)[O-])cc1	ZINC001588396595	983408813	/nfs/dbraw/zinc/40/88/13/983408813.db2.gz	XYNOKMVSULZFQW-NSHDSACASA-N	-1	0	292.291	0.656	20	30		CCEDRM
C#CC[C@H](NC(=O)C(F)(F)C1(O)CCC1)C(=O)[O-]	ZINC001588399904	983417005	/nfs/dbraw/zinc/41/70/05/983417005.db2.gz	YINPUTMEUVPRRN-ZETCQYMHSA-N	-1	0	261.224	0.129	20	30		CCEDRM
C#CC[C@@H](NC(=O)COc1ccc(O)cc1)C(=O)[O-]	ZINC001588405472	983421666	/nfs/dbraw/zinc/42/16/66/983421666.db2.gz	PNSUEJGAVBFIBB-LLVKDONJSA-N	-1	0	263.249	0.364	20	30		CCEDRM
C#CC[C@@H](NC(=O)[C@H]1CCCCN1C(=O)CC)C(=O)[O-]	ZINC001588406719	983426005	/nfs/dbraw/zinc/42/60/05/983426005.db2.gz	SRLQQUUUWUSPFQ-GHMZBOCLSA-N	-1	0	280.324	0.370	20	30		CCEDRM
C#CC[C@H](NC(=O)N1CC(O)(C(=O)[O-])C1)c1ccccc1	ZINC001588407247	983427675	/nfs/dbraw/zinc/42/76/75/983427675.db2.gz	FPFLQRAOUZHUID-LBPRGKRZSA-N	-1	0	288.303	0.592	20	30		CCEDRM
C#CC[C@@H](NC(=O)c1cc(F)cc(C(=O)OC)c1)C(=O)[O-]	ZINC001588414544	983434520	/nfs/dbraw/zinc/43/45/20/983434520.db2.gz	VOSACVPTSYAVPE-LLVKDONJSA-N	-1	0	293.250	0.819	20	30		CCEDRM
C#CC[C@H](NC(=O)c1cnc2[nH]ccc2c1)C(=O)[O-]	ZINC001588417072	983438410	/nfs/dbraw/zinc/43/84/10/983438410.db2.gz	WTJBIKSIACUDFT-JTQLQIEISA-N	-1	0	257.249	0.721	20	30		CCEDRM
C#CC[C@@H](NC(=O)c1nccn2cc(C)nc12)C(=O)[O-]	ZINC001588422091	983444346	/nfs/dbraw/zinc/44/43/46/983444346.db2.gz	SDXAFHUIILJHGZ-SECBINFHSA-N	-1	0	272.264	0.244	20	30		CCEDRM
C#CC[C@H](NC1CCC(C(=O)[O-])CC1)C(=O)OC	ZINC001588422184	983445155	/nfs/dbraw/zinc/44/51/55/983445155.db2.gz	SOLLSTPEDYRVOE-ILDUYXDCSA-N	-1	0	253.298	0.784	20	30		CCEDRM
C#CC[C@H](NC(=O)c1coc(C(F)(F)F)n1)C(=O)[O-]	ZINC001588422425	983446500	/nfs/dbraw/zinc/44/65/00/983446500.db2.gz	YBLBUHBTZMGTRN-YFKPBYRVSA-N	-1	0	276.170	0.900	20	30		CCEDRM
C#CCCNS(=O)(=O)c1cc([N+](=O)[O-])ccc1C(=O)[O-]	ZINC001588453664	983477093	/nfs/dbraw/zinc/47/70/93/983477093.db2.gz	LLJZIIFVDYVEKS-UHFFFAOYSA-N	-1	0	298.276	0.595	20	30		CCEDRM
C#CCCNS(=O)(=O)[C@H]1CCCC[C@H]1C(=O)[O-]	ZINC001588453783	983477399	/nfs/dbraw/zinc/47/73/99/983477399.db2.gz	SWCZVSSREPKHEL-ZJUUUORDSA-N	-1	0	259.327	0.573	20	30		CCEDRM
C#CCN(C(=O)C(=O)N1C[C@@H](C)[C@H](C(=O)[O-])C1)C(C)C	ZINC001588457626	983482158	/nfs/dbraw/zinc/48/21/58/983482158.db2.gz	FPGNRRSYVCDXEI-GHMZBOCLSA-N	-1	0	280.324	0.036	20	30		CCEDRM
C#CCCS(=O)(=O)N[C@@H](C[C@@H]1CCCOC1)C(=O)[O-]	ZINC001588458295	983483163	/nfs/dbraw/zinc/48/31/63/983483163.db2.gz	MGKFWFJRJADLAA-QWRGUYRKSA-N	-1	0	289.353	0.199	20	30		CCEDRM
C#CCCS(=O)(=O)N[C@H]1C[C@@H](C(=O)[O-])[C@@H]2C[C@@H]21	ZINC001588458575	983483352	/nfs/dbraw/zinc/48/33/52/983483352.db2.gz	PHRKKHSSSOTSEQ-RGOKHQFPSA-N	-1	0	257.311	0.038	20	30		CCEDRM
C#CCN(C)S(=O)(=O)c1cc(C(=O)[O-])c(C)o1	ZINC001588463576	983491484	/nfs/dbraw/zinc/49/14/84/983491484.db2.gz	BGZACEFQDXNTFF-UHFFFAOYSA-N	-1	0	257.267	0.540	20	30		CCEDRM
C#CCN(C)S(=O)(=O)c1ccc(C(=O)[O-])nc1	ZINC001588463623	983491799	/nfs/dbraw/zinc/49/17/99/983491799.db2.gz	FXTOWPQZUBDNLW-UHFFFAOYSA-N	-1	0	254.267	0.034	20	30		CCEDRM
C#CCN(CC(=O)N[C@@H](CC(C)C)C(=O)[O-])C1CSC1	ZINC001588465854	983497123	/nfs/dbraw/zinc/49/71/23/983497123.db2.gz	KPUAQOCATHJPOQ-LBPRGKRZSA-N	-1	0	298.408	0.653	20	30		CCEDRM
C#CCN(CC1CC1)C(=O)NCCC(=O)NCCC(=O)[O-]	ZINC001588467978	983499884	/nfs/dbraw/zinc/49/98/84/983499884.db2.gz	JQDHTXGELCZIAC-UHFFFAOYSA-N	-1	0	295.339	0.022	20	30		CCEDRM
C#CCN1CCC(C(=O)OCC(=O)CCC(=O)[O-])CC1	ZINC001588475711	983509117	/nfs/dbraw/zinc/50/91/17/983509117.db2.gz	GQYCSZWOAOBTNO-UHFFFAOYSA-N	-1	0	281.308	0.309	20	30		CCEDRM
C#CCN1CCC[C@H]1C(=O)NCc1ocnc1C(=O)[O-]	ZINC001588477123	983514086	/nfs/dbraw/zinc/51/40/86/983514086.db2.gz	JZOJNJNVHVGTIG-VIFPVBQESA-N	-1	0	277.280	0.087	20	30		CCEDRM
C#CCNC(=O)C1CCN(c2cc(C(=O)[O-])ncn2)CC1	ZINC001588479521	983519996	/nfs/dbraw/zinc/51/99/96/983519996.db2.gz	RADDOHCYHCZXMX-UHFFFAOYSA-N	-1	0	288.307	0.141	20	30		CCEDRM
C#CCNC(=O)C[NH2+][C@](C)(CC(=O)[O-])c1cccnc1	ZINC001588484202	983523353	/nfs/dbraw/zinc/52/33/53/983523353.db2.gz	UCXISYZZJNDCNM-CQSZACIVSA-N	-1	0	275.308	0.111	20	30		CCEDRM
C#CCOCCC(=O)Nc1cc(C(=O)[O-])nn1C	ZINC001588489665	983528609	/nfs/dbraw/zinc/52/86/09/983528609.db2.gz	IYQTYEYJSZYUQN-UHFFFAOYSA-N	-1	0	251.242	0.097	20	30		CCEDRM
C#CCOCCC(=O)N[C@H](C(=O)[O-])c1ccc(O)cc1	ZINC001588489699	983528636	/nfs/dbraw/zinc/52/86/36/983528636.db2.gz	JONWDKLCVAWNDK-ZDUSSCGKSA-N	-1	0	277.276	0.674	20	30		CCEDRM
C#CCOCCCOC(=O)[C@H]1C[C@@H](C)[C@H](C(=O)[O-])O1	ZINC001588489683	983528664	/nfs/dbraw/zinc/52/86/64/983528664.db2.gz	JEJCFMIZZAXGDV-GMTAPVOTSA-N	-1	0	270.281	0.448	20	30		CCEDRM
C#CCOCCC(=O)N1C[C@H](OC)C[C@@]1(C)C(=O)[O-]	ZINC001588490176	983531258	/nfs/dbraw/zinc/53/12/58/983531258.db2.gz	UPUHQOVEHLDBLT-MFKMUULPSA-N	-1	0	269.297	0.117	20	30		CCEDRM
C#CCO[C@@H](C)C(=O)NC(C)(C)c1nocc1C(=O)[O-]	ZINC001588490597	983533312	/nfs/dbraw/zinc/53/33/12/983533312.db2.gz	QRXLGBIQTMMIMH-QMMMGPOBSA-N	-1	0	280.280	0.762	20	30		CCEDRM
C#CCO[C@@H](C)C(=O)O[C@@H]1CCCN(CCC(=O)[O-])C1=O	ZINC001588490601	983533395	/nfs/dbraw/zinc/53/33/95/983533395.db2.gz	RAQJOKAOYAYGMZ-WDEREUQCSA-N	-1	0	297.307	0.034	20	30		CCEDRM
C#CCOCCN(C)c1ncnc(C(=O)[O-])c1OC	ZINC001588491541	983536644	/nfs/dbraw/zinc/53/66/44/983536644.db2.gz	OYJXLGWAJDRSSX-UHFFFAOYSA-N	-1	0	265.269	0.269	20	30		CCEDRM
C#CCOc1ccc(F)cc1NC(=O)COCC(=O)[O-]	ZINC001588497881	983542168	/nfs/dbraw/zinc/54/21/68/983542168.db2.gz	IAFMVNXRHNVIOT-UHFFFAOYSA-N	-1	0	281.239	0.877	20	30		CCEDRM
CCN([C@H](C)C#N)S(=O)(=O)c1csnc1C(=O)[O-]	ZINC001596178800	983548514	/nfs/dbraw/zinc/54/85/14/983548514.db2.gz	UJJJHDJTXCEDGQ-ZCFIWIBFSA-N	-1	0	289.338	0.764	20	30		CCEDRM
C#CCSCC(=O)NCc1c(C)nn(CC(=O)[O-])c1C	ZINC001588506272	983551246	/nfs/dbraw/zinc/55/12/46/983551246.db2.gz	NUTZACXSSWRZHT-UHFFFAOYSA-N	-1	0	295.364	0.567	20	30		CCEDRM
C#Cc1ccc(C(=O)N[C@H](C(=O)[O-])C2CCOCC2)nc1	ZINC001588510857	983557784	/nfs/dbraw/zinc/55/77/84/983557784.db2.gz	MMPGWBVLRJQNIN-ZDUSSCGKSA-N	-1	0	288.303	0.673	20	30		CCEDRM
C#Cc1ccc(C(=O)NC[C@@H](C(=O)[O-])[C@H]2CCOC2)cn1	ZINC001588511417	983559548	/nfs/dbraw/zinc/55/95/48/983559548.db2.gz	UNNWIQSHCLMBBW-WCQYABFASA-N	-1	0	288.303	0.530	20	30		CCEDRM
C#Cc1ccc(CNC(=O)[C@H]2CC[C@@H](C(=O)[O-])O2)cc1	ZINC001588517103	983563638	/nfs/dbraw/zinc/56/36/38/983563638.db2.gz	LLBCADUUKRTADR-OLZOCXBDSA-N	-1	0	273.288	0.916	20	30		CCEDRM
C#Cc1ccc(S(=O)(=O)N2CC[C@H]2C(=O)[O-])cc1	ZINC001588517430	983564823	/nfs/dbraw/zinc/56/48/23/983564823.db2.gz	AXOYDNQTPFBCDP-NSHDSACASA-N	-1	0	265.290	0.516	20	30		CCEDRM
C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)N1C[C@H]2[C@H](C(=O)[O-])[C@H]2C1	ZINC001588535108	983587936	/nfs/dbraw/zinc/58/79/36/983587936.db2.gz	KWENAUALWYEGFE-BNDIWNMDSA-N	-1	0	294.351	0.940	20	30		CCEDRM
C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)NC[C@H]1C[C@H]1C(=O)[O-]	ZINC001588535384	983588932	/nfs/dbraw/zinc/58/89/32/983588932.db2.gz	NPBFTDCWFTYCBY-KKOKHZNYSA-N	-1	0	282.340	0.988	20	30		CCEDRM
C=C(C)[C@H]1OCC[C@H]1CNC(=O)[C@H]1C[C@H]1C(=O)[O-]	ZINC001588536000	983591663	/nfs/dbraw/zinc/59/16/63/983591663.db2.gz	NDZKZBLLIOKUEW-UKKRHICBSA-N	-1	0	253.298	0.805	20	30		CCEDRM
C=C(C)C[C@H](NC(=O)[C@H]1CC(=O)N(CCC)C1)C(=O)[O-]	ZINC001588537087	983597464	/nfs/dbraw/zinc/59/74/64/983597464.db2.gz	HYKOGOCSVWLKLG-QWRGUYRKSA-N	-1	0	282.340	0.781	20	30		CCEDRM
C=C(C)C[C@@H](NC(=O)c1c[nH]c(C(=O)OC)c1)C(=O)[O-]	ZINC001588544163	983613520	/nfs/dbraw/zinc/61/35/20/983613520.db2.gz	VNKSVESYAOGLDC-SECBINFHSA-N	-1	0	280.280	0.951	20	30		CCEDRM
CC[N@H+](CC(=O)[O-])Cc1cc(=O)n2[n-]cc(C#N)c2n1	ZINC001596224847	983615520	/nfs/dbraw/zinc/61/55/20/983615520.db2.gz	FBGUWOIIOZLGEU-UHFFFAOYSA-N	-1	0	275.268	0.213	20	30		CCEDRM
C=C(C)C[C@H](NC(C)=O)C(=O)N[C@H]1C[C@@H]2C[C@]2(C(=O)[O-])C1	ZINC001588548004	983622324	/nfs/dbraw/zinc/62/23/24/983622324.db2.gz	PJVQDTWVEOXLIU-YXMPFFBPSA-N	-1	0	294.351	0.827	20	30		CCEDRM
C=C(C)C[C@H](NC(C)=O)C(=O)N1CC(C)(C(=O)[O-])C1	ZINC001588548156	983623057	/nfs/dbraw/zinc/62/30/57/983623057.db2.gz	QZUGFAFMWCYZNB-JTQLQIEISA-N	-1	0	268.313	0.390	20	30		CCEDRM
C=C(C)C[C@H](NC(=O)c1ccnc2[nH]c(=O)[nH]c21)C(=O)[O-]	ZINC001588548953	983625941	/nfs/dbraw/zinc/62/59/41/983625941.db2.gz	UWLREEGNEXNBQU-QMMMGPOBSA-N	-1	0	290.279	0.813	20	30		CCEDRM
C=C(C)CCN1C(=O)N[C@H]([C@@H]2C[C@H]2C(=O)[O-])C1=O	ZINC001588559692	983640607	/nfs/dbraw/zinc/64/06/07/983640607.db2.gz	RBWHOTKQJQYHOQ-IWSPIJDZSA-N	-1	0	252.270	0.594	20	30		CCEDRM
C=C(C)CN(C)C(=O)C(=O)Nc1cccc(C(=O)[O-])n1	ZINC001588561716	983642992	/nfs/dbraw/zinc/64/29/92/983642992.db2.gz	ZVUSWBXDHNGEFK-UHFFFAOYSA-N	-1	0	277.280	0.753	20	30		CCEDRM
C=C(C)CS(=O)(=O)N(C)[C@@H](COCC)C(=O)[O-]	ZINC001588577011	983655269	/nfs/dbraw/zinc/65/52/69/983655269.db2.gz	KUMIPBHWKHKEPP-VIFPVBQESA-N	-1	0	265.331	0.314	20	30		CCEDRM
C=C(C)CS(=O)(=O)NCc1nc(C(=O)[O-])co1	ZINC001588577320	983656342	/nfs/dbraw/zinc/65/63/42/983656342.db2.gz	RSXNZOXWSMKILW-UHFFFAOYSA-N	-1	0	260.271	0.368	20	30		CCEDRM
C=C(C)CN1CC2(C1)CN(C(=O)[C@H]1C[C@@H]1C(=O)[O-])CCO2	ZINC001588585657	983663908	/nfs/dbraw/zinc/66/39/08/983663908.db2.gz	SIWGPRCLAXBDBH-RYUDHWBXSA-N	-1	0	294.351	0.196	20	30		CCEDRM
C=C(CCC(=O)[O-])C(=O)N(CC)CCC(=O)NC	ZINC001588611857	983700742	/nfs/dbraw/zinc/70/07/42/983700742.db2.gz	AMQNACXQDGXIHG-UHFFFAOYSA-N	-1	0	256.302	0.392	20	30		CCEDRM
C=C(CCC(=O)[O-])C(=O)N(C)Cc1nncn1C	ZINC001588612363	983702686	/nfs/dbraw/zinc/70/26/86/983702686.db2.gz	OOCAGFGMVPSDQU-UHFFFAOYSA-N	-1	0	252.274	0.195	20	30		CCEDRM
C=C(CCC(=O)[O-])C(=O)N1CC2(C1)CN(C)C(=O)O2	ZINC001588614641	983708246	/nfs/dbraw/zinc/70/82/46/983708246.db2.gz	YVBGGQMBARQFLF-UHFFFAOYSA-N	-1	0	268.269	0.070	20	30		CCEDRM
C=C(CCC(=O)[O-])C(=O)N1CCC[C@H]1C(=O)OC	ZINC001588615227	983710966	/nfs/dbraw/zinc/71/09/66/983710966.db2.gz	NLHVJKUKFIHVLY-VIFPVBQESA-N	-1	0	255.270	0.571	20	30		CCEDRM
C=C(CCC(=O)[O-])C(=O)N1CCOC[C@@H]1CCO	ZINC001588619608	983717851	/nfs/dbraw/zinc/71/78/51/983717851.db2.gz	ZGMNPOYZLGBTIM-JTQLQIEISA-N	-1	0	257.286	0.017	20	30		CCEDRM
C=C(CCC(=O)[O-])C(=O)N[C@H]1C(=O)NCC[C@@H]1C	ZINC001588621286	983718792	/nfs/dbraw/zinc/71/87/92/983718792.db2.gz	BWKXPIRSKRQEGV-OIBJUYFYSA-N	-1	0	254.286	0.048	20	30		CCEDRM
C=C(CCC(=O)[O-])C(=O)N[C@@H](CC(=O)OC)C1CC1	ZINC001588621333	983718958	/nfs/dbraw/zinc/71/89/58/983718958.db2.gz	CEPCVILMJDHKFY-JTQLQIEISA-N	-1	0	269.297	0.865	20	30		CCEDRM
C=C(CCC(=O)[O-])C(=O)N[C@@H]1C(=O)NCC1(CC)CC	ZINC001588621890	983721323	/nfs/dbraw/zinc/72/13/23/983721323.db2.gz	LYYCURZPZWVXLA-LLVKDONJSA-N	-1	0	282.340	0.828	20	30		CCEDRM
C=C(CO)C(=O)N[C@H](C(=O)[O-])c1ccc(F)c(C)c1	ZINC001588637068	983758435	/nfs/dbraw/zinc/75/84/35/983758435.db2.gz	FLVMTQPTEKNGTO-NSHDSACASA-N	-1	0	267.256	0.925	20	30		CCEDRM
C=C(CO)C(=O)N[C@@H](Cc1ccc(F)cc1)C(=O)[O-]	ZINC001588637104	983758514	/nfs/dbraw/zinc/75/85/14/983758514.db2.gz	GWGBSDXPWOINDB-NSHDSACASA-N	-1	0	267.256	0.486	20	30		CCEDRM
C=C(CO)C(=O)N[C@@H](C(=O)[O-])c1cc(F)ccc1F	ZINC001588637143	983758922	/nfs/dbraw/zinc/75/89/22/983758922.db2.gz	IMZZRNIXRCNLRN-SNVBAGLBSA-N	-1	0	271.219	0.755	20	30		CCEDRM
C=C1C[C@H]2CC[C@@H](C1)N2S(=O)(=O)c1cc(C(=O)[O-])[nH]n1	ZINC001588644305	983769209	/nfs/dbraw/zinc/76/92/09/983769209.db2.gz	OFLNVNVWRZUYDP-DTORHVGOSA-N	-1	0	297.336	0.980	20	30		CCEDRM
C=C[C@H](C(=O)OC)n1cc(C[C@H](CC)C(=O)[O-])nn1	ZINC001588672591	983825888	/nfs/dbraw/zinc/82/58/88/983825888.db2.gz	WNAAWYIIXZVBBD-WCBMZHEXSA-N	-1	0	267.285	0.832	20	30		CCEDRM
C=C[C@@](C)(O)C(=O)Nc1cccc(C(=O)[O-])c1N	ZINC001588682225	983842924	/nfs/dbraw/zinc/84/29/24/983842924.db2.gz	JTALMGFWWSZCBN-GFCCVEGCSA-N	-1	0	250.254	0.843	20	30		CCEDRM
C=C[C@H](COC)NC(=O)N1C[C@@H](C)[C@H](C(=O)[O-])C1	ZINC001588692558	983883656	/nfs/dbraw/zinc/88/36/56/983883656.db2.gz	DRXQNYOZYDAOSY-OPRDCNLKSA-N	-1	0	256.302	0.550	20	30		CCEDRM
CCN(Cn1nc(C(=O)OC)cc1C(=O)[O-])[C@H](C)C#N	ZINC001596380433	983901264	/nfs/dbraw/zinc/90/12/64/983901264.db2.gz	HNKFUFKYAAZXRV-MRVPVSSYSA-N	-1	0	280.284	0.559	20	30		CCEDRM
C=C[C@H](Nc1ccc(N2CCNC(=O)C2)nc1)C(=O)[O-]	ZINC001588702146	983918678	/nfs/dbraw/zinc/91/86/78/983918678.db2.gz	KMMNMIRKRVBURZ-JTQLQIEISA-N	-1	0	276.296	0.069	20	30		CCEDRM
C=C[C@H](Nc1ccc(OCC(N)=O)cc1)C(=O)[O-]	ZINC001588702317	983919913	/nfs/dbraw/zinc/91/99/13/983919913.db2.gz	PXYAQRNXUXRECQ-JTQLQIEISA-N	-1	0	250.254	0.602	20	30		CCEDRM
C=C[C@H](Nc1cnn(CC(=O)[O-])c1C)C(=O)OC	ZINC001588702731	983921407	/nfs/dbraw/zinc/92/14/07/983921407.db2.gz	WYCPJHNXABZCTL-QMMMGPOBSA-N	-1	0	253.258	0.416	20	30		CCEDRM
C=C[C@H](O)C(=O)N[C@H](C(=O)[O-])c1ccc(OC)cc1OC	ZINC001588703925	983922494	/nfs/dbraw/zinc/92/24/94/983922494.db2.gz	BAXGHSUIILWHPO-JQWIXIFHSA-N	-1	0	295.291	0.493	20	30		CCEDRM
C=C[C@@H](O)C(=O)Nc1ccn(C(C)(C)C(=O)[O-])n1	ZINC001588706411	983930750	/nfs/dbraw/zinc/93/07/50/983930750.db2.gz	ZCMNOFSXDZELRC-SSDOTTSWSA-N	-1	0	253.258	0.188	20	30		CCEDRM
C=C[C@@H](OC(=O)C[S@@](=O)c1cccc(OC)c1)C(=O)[O-]	ZINC001588711200	983936831	/nfs/dbraw/zinc/93/68/31/983936831.db2.gz	MWWJVKPTHIFJSE-BIBXISHDSA-N	-1	0	298.316	0.985	20	30		CCEDRM
C=C[C@H](OC(=O)c1cnn(C)c1Br)C(=O)[O-]	ZINC001588712210	983942804	/nfs/dbraw/zinc/94/28/04/983942804.db2.gz	HRMJVPBCYCMQGX-LURJTMIESA-N	-1	0	289.085	0.979	20	30		CCEDRM
C=C[C@@H](OC(=O)c1c[nH]c(C(=O)[O-])c1)C(=O)OC	ZINC001588712416	983943685	/nfs/dbraw/zinc/94/36/85/983943685.db2.gz	KXCHRVOSKSNBQV-MRVPVSSYSA-N	-1	0	253.210	0.597	20	30		CCEDRM
C=C[C@@H]1CCCCN1C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)[O-]	ZINC001588719450	983960270	/nfs/dbraw/zinc/96/02/70/983960270.db2.gz	SVGQFLDSHYONAS-GARJFASQSA-N	-1	0	297.355	0.714	20	30		CCEDRM
C=CC[C@H](C(=O)[O-])N1CC(=O)N(CC(F)(F)F)C1	ZINC001588729452	983989612	/nfs/dbraw/zinc/98/96/12/983989612.db2.gz	QQGRVSOLHMAKQG-SSDOTTSWSA-N	-1	0	266.219	0.680	20	30		CCEDRM
C=CC[C@H](CO)NC(=O)c1cc(C(=O)[O-])cc([N+](=O)[O-])c1	ZINC001588744461	984042695	/nfs/dbraw/zinc/04/26/95/984042695.db2.gz	LWHBBIDWOKLXMF-SNVBAGLBSA-N	-1	0	294.263	0.960	20	30		CCEDRM
C=CC[C@@H](Nc1cnn(CCN2CCOCC2)c1)C(=O)[O-]	ZINC001588751616	984078001	/nfs/dbraw/zinc/07/80/01/984078001.db2.gz	PBJIDGOJDRFNQC-CYBMUJFWSA-N	-1	0	294.355	0.657	20	30		CCEDRM
C=CC[C@H](OC(=O)[C@H](C)CS(C)(=O)=O)C(=O)[O-]	ZINC001588752361	984081259	/nfs/dbraw/zinc/08/12/59/984081259.db2.gz	WJMRFCPCZFLNFZ-SFYZADRCSA-N	-1	0	264.299	0.240	20	30		CCEDRM
C=CC[C@H](OC(=O)Cc1ccc(C(N)=O)cc1)C(=O)[O-]	ZINC001588753256	984084174	/nfs/dbraw/zinc/08/41/74/984084174.db2.gz	DDXRJCASNGFFJQ-NSHDSACASA-N	-1	0	277.276	0.901	20	30		CCEDRM
C=CC[C@H](OC(=O)CNC(=O)c1ccccn1)C(=O)[O-]	ZINC001588753651	984087633	/nfs/dbraw/zinc/08/76/33/984087633.db2.gz	LHJUYEMIFPTQKI-JTQLQIEISA-N	-1	0	278.264	0.384	20	30		CCEDRM
C=CC[C@H](OC(=O)[C@H]1CCc2nnn(C)c2C1)C(=O)[O-]	ZINC001588753695	984087978	/nfs/dbraw/zinc/08/79/78/984087978.db2.gz	LXDAKSAFYPAZOP-KWQFWETISA-N	-1	0	279.296	0.493	20	30		CCEDRM
C=CC[C@H](OC(=O)COCc1ccnn1C)C(=O)[O-]	ZINC001588754287	984092772	/nfs/dbraw/zinc/09/27/72/984092772.db2.gz	XCQKXZWSPWTHEK-JTQLQIEISA-N	-1	0	268.269	0.509	20	30		CCEDRM
C=CC[C@H](OC(=O)[C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@H]12)C(=O)[O-]	ZINC001588756150	984097047	/nfs/dbraw/zinc/09/70/47/984097047.db2.gz	IDXZAGJUUBJLLO-LBWRMUMUSA-N	-1	0	252.266	0.982	20	30		CCEDRM
C=CC[C@@H](OC(=O)c1cnn(C2CC2)c1N)C(=O)[O-]	ZINC001588759151	984110162	/nfs/dbraw/zinc/11/01/62/984110162.db2.gz	QHTHLZJMXUKITC-SECBINFHSA-N	-1	0	265.269	0.986	20	30		CCEDRM
C=CC[C@H](Sc1nnnn1C[C@@H]1CCCO1)C(=O)[O-]	ZINC001588763247	984118705	/nfs/dbraw/zinc/11/87/05/984118705.db2.gz	QUTWJDGSQSITRN-IUCAKERBSA-N	-1	0	284.341	0.974	20	30		CCEDRM
C=CCCC(=O)NCCCN(C)C(=O)[C@H]1C[C@@H]1C(=O)[O-]	ZINC001588777349	984156058	/nfs/dbraw/zinc/15/60/58/984156058.db2.gz	ZXRKKMPITCYRQN-QWRGUYRKSA-N	-1	0	282.340	0.638	20	30		CCEDRM
C=CCCCCNC(=O)C(=O)N[C@@H]1CC=C(C(=O)[O-])C1	ZINC001588802302	984248185	/nfs/dbraw/zinc/24/81/85/984248185.db2.gz	GVAZMXZSFJCKMF-LLVKDONJSA-N	-1	0	280.324	0.749	20	30		CCEDRM
C=CCCN(C)S(=O)(=O)c1cc(C(=O)[O-])cn1C	ZINC001588807177	984258012	/nfs/dbraw/zinc/25/80/12/984258012.db2.gz	AVJZTXFNGHENKK-UHFFFAOYSA-N	-1	0	272.326	0.920	20	30		CCEDRM
C=CCCO[C@@H](C)C(=O)N(CC#N)CCC(=O)[O-]	ZINC001588808491	984262374	/nfs/dbraw/zinc/26/23/74/984262374.db2.gz	CKHXWSJWOIXCHH-JTQLQIEISA-N	-1	0	254.286	0.794	20	30		CCEDRM
C=CCN(C)S(=O)(=O)c1cccnc1C(=O)[O-]	ZINC001588822850	984292293	/nfs/dbraw/zinc/29/22/93/984292293.db2.gz	UBEFOAOIJVOGKM-UHFFFAOYSA-N	-1	0	256.283	0.586	20	30		CCEDRM
C=CCN1CC[C@@H](N(C)C(=O)c2ccc(C(=O)[O-])o2)C1=O	ZINC001588836914	984330825	/nfs/dbraw/zinc/33/08/25/984330825.db2.gz	MODLUPZQOSHDAZ-SECBINFHSA-N	-1	0	292.291	0.837	20	30		CCEDRM
C=CCNC(=O)[C@H](C)Sc1nc(C(=O)[O-])c[nH]1	ZINC001588838484	984338264	/nfs/dbraw/zinc/33/82/64/984338264.db2.gz	FLWBTSVBUWQEAZ-LURJTMIESA-N	-1	0	255.299	0.891	20	30		CCEDRM
C=CCN1CC[C@H](n2nc(C(=O)[O-])nc2Cl)C1=O	ZINC001588838894	984342820	/nfs/dbraw/zinc/34/28/20/984342820.db2.gz	LLOXNCDQNLHKBN-LURJTMIESA-N	-1	0	270.676	0.589	20	30		CCEDRM
C=CCN1CC[C@H](OC(=O)[C@H]2C[C@@H](C)[C@H](C(=O)[O-])O2)C1=O	ZINC001588839534	984347601	/nfs/dbraw/zinc/34/76/01/984347601.db2.gz	SXIMPQJTXCGEFH-LMLFDSFASA-N	-1	0	297.307	0.195	20	30		CCEDRM
C=CCNC(=O)CNC(=O)Nc1ccc(C(=O)[O-])cn1	ZINC001588844542	984358865	/nfs/dbraw/zinc/35/88/65/984358865.db2.gz	LVVJKYXMAIVESP-UHFFFAOYSA-N	-1	0	278.268	0.204	20	30		CCEDRM
C=CCNc1ncc(C(=O)N2C[C@H](O)C[C@H]2C(=O)[O-])s1	ZINC001588849302	984370179	/nfs/dbraw/zinc/37/01/79/984370179.db2.gz	JBLVWPMZMUHQCR-SFYZADRCSA-N	-1	0	297.336	0.401	20	30		CCEDRM
C=CCOC[C@H](NC(=O)C(=O)C(C)(C)CC)C(=O)[O-]	ZINC001588851120	984383304	/nfs/dbraw/zinc/38/33/04/984383304.db2.gz	VOQSYWFTOLXGCB-VIFPVBQESA-N	-1	0	271.313	0.764	20	30		CCEDRM
C=CCOC[C@H](NC(=O)CCn1ccccc1=O)C(=O)[O-]	ZINC001588853613	984384122	/nfs/dbraw/zinc/38/41/22/984384122.db2.gz	CCEHRMALWDPCLG-NSHDSACASA-N	-1	0	294.307	0.010	20	30		CCEDRM
C=CCOC[C@H](NC(=O)[C@H](C)n1nc(C)cc1C)C(=O)[O-]	ZINC001588855589	984393971	/nfs/dbraw/zinc/39/39/71/984393971.db2.gz	MBTFIFMDASTDMI-RYUDHWBXSA-N	-1	0	295.339	0.833	20	30		CCEDRM
C=CCOC[C@H](NC(=O)c1cc(C)[nH]c(=O)c1)C(=O)[O-]	ZINC001588859611	984407100	/nfs/dbraw/zinc/40/71/00/984407100.db2.gz	RGBKZVWNXNFAOI-JTQLQIEISA-N	-1	0	280.280	0.481	20	30		CCEDRM
C=CCOC[C@H](NC(=O)c1ccnc(F)c1F)C(=O)[O-]	ZINC001588860020	984410197	/nfs/dbraw/zinc/41/01/97/984410197.db2.gz	GDAKHSRTVOMOLJ-QMMMGPOBSA-N	-1	0	286.234	0.745	20	30		CCEDRM
C=CCOC[C@@H](NC(=O)c1ccc2nc[nH]c2n1)C(=O)[O-]	ZINC001588862047	984417441	/nfs/dbraw/zinc/41/74/41/984417441.db2.gz	PRVJBSHXWMUTKL-SNVBAGLBSA-N	-1	0	290.279	0.344	20	30		CCEDRM
C=CCOC[C@@H](NC(=O)c1ccc(C)nn1)C(=O)[O-]	ZINC001588862437	984419020	/nfs/dbraw/zinc/41/90/20/984419020.db2.gz	XZBQHFYBZAQQEW-SNVBAGLBSA-N	-1	0	265.269	0.171	20	30		CCEDRM
C=CCOC[C@@H]1NC(=O)N([C@H]2C[C@@H](C(=O)[O-])[C@@H]3C[C@@H]32)C1=O	ZINC001588866658	984426838	/nfs/dbraw/zinc/42/68/38/984426838.db2.gz	OQOLWAXWTYNISC-XXFSISAASA-N	-1	0	294.307	0.219	20	30		CCEDRM
C=CCOCCNC(=O)N[C@H]1C[C@H]2C[C@@H](C(=O)[O-])C[C@H]21	ZINC001588868793	984435211	/nfs/dbraw/zinc/43/52/11/984435211.db2.gz	BJZSBXVNQOMFBE-KKOKHZNYSA-N	-1	0	282.340	0.988	20	30		CCEDRM
C=CCOCCNC(=O)Cc1ccc(C(=O)[O-])nc1	ZINC001588868966	984436931	/nfs/dbraw/zinc/43/69/31/984436931.db2.gz	ISDMIIKFAWHIJG-UHFFFAOYSA-N	-1	0	264.281	0.641	20	30		CCEDRM
C=CCOc1cc(OC)ccc1C(=O)NC[C@H](O)C(=O)[O-]	ZINC001588869704	984440814	/nfs/dbraw/zinc/44/08/14/984440814.db2.gz	WCTFPKCNCWRMPX-NSHDSACASA-N	-1	0	295.291	0.435	20	30		CCEDRM
C=CCn1c(CC)nnc1N1CCO[C@H](CC(=O)[O-])C1	ZINC001588898453	984518574	/nfs/dbraw/zinc/51/85/74/984518574.db2.gz	YPCHRQNERNRMJF-SNVBAGLBSA-N	-1	0	280.328	0.706	20	30		CCEDRM
C=CCn1cc(CNCc2ccc(C(=O)[O-])cn2)nn1	ZINC001588909072	984541693	/nfs/dbraw/zinc/54/16/93/984541693.db2.gz	HXSFGQBSNHGRIY-UHFFFAOYSA-N	-1	0	273.296	0.847	20	30		CCEDRM
C=CCn1cc(C(=O)OCC(=O)C2(C(=O)[O-])CC2)nn1	ZINC001588909510	984544650	/nfs/dbraw/zinc/54/46/50/984544650.db2.gz	XGSYVEJIKSDYSI-UHFFFAOYSA-N	-1	0	279.252	0.055	20	30		CCEDRM
C=CCn1cc(CNC(=O)NC/C=C(\C)C(=O)[O-])nn1	ZINC001588909493	984544737	/nfs/dbraw/zinc/54/47/37/984544737.db2.gz	WOJJUZDBOFQSMY-RUDMXATFSA-N	-1	0	279.300	0.294	20	30		CCEDRM
C=CCn1nnnc1N1CCC2(C[C@@H]2C(=O)[O-])CC1	ZINC001588912538	984551462	/nfs/dbraw/zinc/55/14/62/984551462.db2.gz	JQMDDUVZAQVBIW-SECBINFHSA-N	-1	0	263.301	0.550	20	30		CCEDRM
CC#CCCCC(=O)N[C@@H](Cn1cncn1)C(=O)[O-]	ZINC001588924699	984582667	/nfs/dbraw/zinc/58/26/67/984582667.db2.gz	BNASLSRQOXHHDB-JTQLQIEISA-N	-1	0	264.285	0.041	20	30		CCEDRM
CC#CC[C@@H](CO)NC(=O)c1cc(C)c(C(=O)[O-])o1	ZINC001588926209	984592015	/nfs/dbraw/zinc/59/20/15/984592015.db2.gz	NIAILMXECQXIND-VIFPVBQESA-N	-1	0	265.265	0.790	20	30		CCEDRM
C[C@H](NC(=O)[C@H](C)NCc1cccc(F)c1C#N)C(=O)[O-]	ZINC001599900525	984815687	/nfs/dbraw/zinc/81/56/87/984815687.db2.gz	WCCWANBYTKPQCJ-IUCAKERBSA-N	-1	0	293.298	0.765	20	30		CCEDRM
CCO[C@@H]1C[C@H]1C(=O)N1CCC(C#N)(C(=O)[O-])CC1	ZINC001596845982	985547295	/nfs/dbraw/zinc/54/72/95/985547295.db2.gz	GZZFMGVTDHYKIM-NXEZZACHSA-N	-1	0	266.297	0.628	20	30		CCEDRM
Cc1c(C#N)c(=O)n(CCCCC(=O)[O-])c(=O)n1C1CC1	ZINC001599974559	986067033	/nfs/dbraw/zinc/06/70/33/986067033.db2.gz	TYHBRVLKEDVTGA-UHFFFAOYSA-N	-1	0	291.307	0.780	20	30		CCEDRM
Cc1c(C#N)cccc1NC(=O)C(=O)NC(C)(C)C(=O)[O-]	ZINC001599975163	986078036	/nfs/dbraw/zinc/07/80/36/986078036.db2.gz	UQQVWQHWXGTHAO-UHFFFAOYSA-N	-1	0	289.291	0.785	20	30		CCEDRM
C[C@@H](C#N)CNC(=O)N1C[C@@H](C)O[C@H](C(=O)[O-])C1	ZINC001589330582	986174681	/nfs/dbraw/zinc/17/46/81/986174681.db2.gz	KEAHGNYJVFWYKC-YIZRAAEISA-N	-1	0	255.274	0.030	20	30		CCEDRM
C[C@@H](C#N)OCCOC(=O)c1cccc(C(=O)[O-])n1	ZINC001589331355	986184415	/nfs/dbraw/zinc/18/44/15/986184415.db2.gz	BVOGWWAISPWQQB-QMMMGPOBSA-N	-1	0	264.237	0.865	20	30		CCEDRM
C[C@H](C#N)OCCOC(=O)[C@H]1CC[C@@H](C(=O)[O-])C1	ZINC001589331513	986187773	/nfs/dbraw/zinc/18/77/73/986187773.db2.gz	GXXNCCHJPWOAFN-BBBLOLIVSA-N	-1	0	255.270	0.959	20	30		CCEDRM
C[C@@H](C(=O)N(CC#N)CC(=O)[O-])c1ccc2c(c1)OCO2	ZINC001589341501	986251704	/nfs/dbraw/zinc/25/17/04/986251704.db2.gz	DWBVEYNSADFMIU-SECBINFHSA-N	-1	0	290.275	0.956	20	30		CCEDRM
C[C@H](C(=O)N(CC#N)CCC(=O)[O-])n1ccnc1	ZINC001589341646	986254020	/nfs/dbraw/zinc/25/40/20/986254020.db2.gz	KCUJAOMEOVIKOP-SECBINFHSA-N	-1	0	250.258	0.271	20	30		CCEDRM
C[C@@H](C(=O)N1CCC(C(=O)[O-])CC1)n1cnc(C#N)n1	ZINC001589353602	986330209	/nfs/dbraw/zinc/33/02/09/986330209.db2.gz	XVPBZNZYMSDMKZ-QMMMGPOBSA-N	-1	0	277.284	0.034	20	30		CCEDRM
C[C@@H]1CN(c2ccc(C(=O)[O-])nc2C#N)CC[S@](=O)C1	ZINC001594568767	986374350	/nfs/dbraw/zinc/37/43/50/986374350.db2.gz	MJYRCBAKFISMJA-YBYGRFCBSA-N	-1	0	293.348	0.856	20	30		CCEDRM
C[C@H](C(=O)NC1(C#N)CCC1)N1CC[C@@](F)(C(=O)[O-])C1	ZINC001589388807	986498596	/nfs/dbraw/zinc/49/85/96/986498596.db2.gz	RDRIAGZXUOTMSA-RNCFNFMXSA-N	-1	0	283.303	0.436	20	30		CCEDRM
C[C@@H](C(=O)NCCCCC(=O)[O-])n1cnc(C#N)n1	ZINC001589407689	986599408	/nfs/dbraw/zinc/59/94/08/986599408.db2.gz	WHATWOKIKLWWHD-QMMMGPOBSA-N	-1	0	265.273	0.082	20	30		CCEDRM
CCC(=O)N1CC[C@H](C(=O)N(CC#N)CCC(=O)[O-])C1	ZINC001594695381	987114291	/nfs/dbraw/zinc/11/42/91/987114291.db2.gz	JQOAOKIUIZBSPC-JTQLQIEISA-N	-1	0	281.312	0.072	20	30		CCEDRM
CCS(=O)(=O)CCNc1ccc(C(=O)[O-])nc1C#N	ZINC001597214134	987136421	/nfs/dbraw/zinc/13/64/21/987136421.db2.gz	RDBDCXYLNGLSID-UHFFFAOYSA-N	-1	0	283.309	0.498	20	30		CCEDRM
CC(C)(C#N)CC(=O)N1CCC[C@@H]1C(=O)NCC(=O)[O-]	ZINC001589553500	987290800	/nfs/dbraw/zinc/29/08/00/987290800.db2.gz	BSYSHDPDKASKMR-SECBINFHSA-N	-1	0	281.312	0.118	20	30		CCEDRM
CC(C)(C#N)CNS(=O)(=O)CC(C)(C)C(=O)[O-]	ZINC001589554787	987303151	/nfs/dbraw/zinc/30/31/51/987303151.db2.gz	NRYWCAUCBXTKTI-UHFFFAOYSA-N	-1	0	262.331	0.566	20	30		CCEDRM
CC(C)(C#N)CS(=O)(=O)NCc1ccc(C(=O)[O-])nc1	ZINC001589558416	987310154	/nfs/dbraw/zinc/31/01/54/987310154.db2.gz	PKDKCWCGRYJDOW-UHFFFAOYSA-N	-1	0	297.336	0.749	20	30		CCEDRM
CC(C)(C)C#CC(=O)NC[C@H](C(=O)[O-])[C@H]1CCOC1	ZINC001589684568	987722687	/nfs/dbraw/zinc/72/26/87/987722687.db2.gz	JRLLQBJYOOZRAW-QWRGUYRKSA-N	-1	0	267.325	0.889	20	30		CCEDRM
CSCCON=C(C)c1cn(CC(=O)[O-])nn1	ZINC001599801128	988178970	/nfs/dbraw/zinc/17/89/70/988178970.db2.gz	OSTAGUBVRNNZTN-UHFFFAOYSA-N	-1	0	258.303	0.466	20	30		CCEDRM
C[C@@H]1C[C@H](C(=O)O[C@H](C#N)C2CC2)O[C@H]1C(=O)[O-]	ZINC001599879150	989460341	/nfs/dbraw/zinc/46/03/41/989460341.db2.gz	OPGCWLAXDDJINX-PEBGCTIMSA-N	-1	0	253.254	0.710	20	30		CCEDRM
C[C@@H]1C[C@H](C(=O)OCCOCCC#N)O[C@H]1C(=O)[O-]	ZINC001599879477	989464569	/nfs/dbraw/zinc/46/45/69/989464569.db2.gz	STSJGAKVVLSJIA-OPRDCNLKSA-N	-1	0	271.269	0.338	20	30		CCEDRM
CCn1ncc(C(=O)N2CCC(C#N)(C(=O)[O-])CC2)n1	ZINC001597951044	989949981	/nfs/dbraw/zinc/94/99/81/989949981.db2.gz	WEHYWFSJTISNJQ-UHFFFAOYSA-N	-1	0	277.284	0.129	20	30		CCEDRM
CC(C)(CCC#N)CN1C(=O)N[C@@H]([C@@H]2C[C@H]2C(=O)[O-])C1=O	ZINC001590654312	990346055	/nfs/dbraw/zinc/34/60/55/990346055.db2.gz	MXFBKJTYVUAZCZ-BBBLOLIVSA-N	-1	0	293.323	0.957	20	30		CCEDRM
CN(C(=O)[C@H]([NH3+])CCC(=O)[O-])[C@@H]1CCC[C@@H]1C#N	ZINC001598069239	990365438	/nfs/dbraw/zinc/36/54/38/990365438.db2.gz	YNMGIDUUKKMELR-OPRDCNLKSA-N	-1	0	253.302	0.329	20	30		CCEDRM
CN(C(=O)[C@H]1CC[C@@H](C(=O)[O-])O1)[C@@H]1CCC[C@@H]1C#N	ZINC001598072017	990367982	/nfs/dbraw/zinc/36/79/82/990367982.db2.gz	FAVYEEUNKJOFOL-DBIOUOCHSA-N	-1	0	266.297	0.769	20	30		CCEDRM
CC(C)(NC(=O)C(=O)Nc1sccc1C#N)C(=O)[O-]	ZINC001590836078	990694409	/nfs/dbraw/zinc/69/44/09/990694409.db2.gz	HBJDBKJSFSMWAG-UHFFFAOYSA-N	-1	0	281.293	0.538	20	30		CCEDRM
CN(C)C[C@](C)(C#N)NC(=O)[C@H]1CC[C@@H](CCC(=O)[O-])O1	ZINC001598200021	990811224	/nfs/dbraw/zinc/81/12/24/990811224.db2.gz	XDPGCIPJRZSGFA-WDMOLILDSA-N	-1	0	297.355	0.359	20	30		CCEDRM
COc1ccccc1C[C@@H](CNC(=O)CC#N)C(=O)[O-]	ZINC001599706449	991299114	/nfs/dbraw/zinc/29/91/14/991299114.db2.gz	MWCLXUPHHAUUIY-NSHDSACASA-N	-1	0	276.292	0.968	20	30		CCEDRM
COc1nn(C)cc1C(=O)N1CCC(C#N)(C(=O)[O-])CC1	ZINC001599738659	991813590	/nfs/dbraw/zinc/81/35/90/991813590.db2.gz	ANWSWDJLWJNBKD-UHFFFAOYSA-N	-1	0	292.295	0.259	20	30		CCEDRM
CC(C)C[C@@H](NC(=O)CN(C)C[C@@H](C)C#N)C(=O)[O-]	ZINC001591161017	991912006	/nfs/dbraw/zinc/91/20/06/991912006.db2.gz	FTQQHSNOGTZMRV-WDEREUQCSA-N	-1	0	269.345	0.693	20	30		CCEDRM
CC(C)C[C@H](NC(=O)CN1CC[C@](C)(C#N)C1)C(=O)[O-]	ZINC001591167681	991936774	/nfs/dbraw/zinc/93/67/74/991936774.db2.gz	KXBZGRRDPOYLBQ-SMDDNHRTSA-N	-1	0	281.356	0.837	20	30		CCEDRM
CN1CCN(c2ccc(C(=O)[O-])nc2C#N)CCC1=O	ZINC001598622447	994026000	/nfs/dbraw/zinc/02/60/00/994026000.db2.gz	KCXYLCUTOKACMG-UHFFFAOYSA-N	-1	0	274.280	0.320	20	30		CCEDRM
COC(=O)[C@H]1CC[C@@H](C(=O)[O-])N(C(=O)CC2(C#N)CC2)C1	ZINC001598779666	995970144	/nfs/dbraw/zinc/97/01/44/995970144.db2.gz	WYXJUVLALRWSKL-UWVGGRQHSA-N	-1	0	294.307	0.545	20	30		CCEDRM
COC(=O)[C@@H]1CCN(C(=O)CCCC#N)[C@H](C(=O)[O-])C1	ZINC001598793431	996093149	/nfs/dbraw/zinc/09/31/49/996093149.db2.gz	PXQMCVCZIPJCEV-ZJUUUORDSA-N	-1	0	282.296	0.545	20	30		CCEDRM
COC(=O)[C@H]1CN(C(=O)C2(C#N)CCCC2)C[C@H]1C(=O)[O-]	ZINC001598810669	996228559	/nfs/dbraw/zinc/22/85/59/996228559.db2.gz	WUHQZYDDZFMCOQ-ZJUUUORDSA-N	-1	0	294.307	0.403	20	30		CCEDRM
CC(C)(CCNC(=O)N1CCO[C@](C)(C#N)C1)C(=O)[O-]	ZINC001593743330	996367059	/nfs/dbraw/zinc/36/70/59/996367059.db2.gz	NMNOEIQIHHHULD-CYBMUJFWSA-N	-1	0	283.328	0.811	20	30		CCEDRM
COC(=O)[C@H]1CN(c2nccc(C)c2C#N)C[C@@H]1C(=O)[O-]	ZINC001598829187	996417666	/nfs/dbraw/zinc/41/76/66/996417666.db2.gz	TVNCCTZYRBSFCS-QWRGUYRKSA-N	-1	0	289.291	0.572	20	30		CCEDRM
CC1(C)C[C@]1(C#N)NS(=O)(=O)c1ccc(C(=O)[O-])nc1	ZINC001593863268	996662950	/nfs/dbraw/zinc/66/29/50/996662950.db2.gz	FPWSLPWFSMHYMV-GFCCVEGCSA-N	-1	0	295.320	0.750	20	30		CCEDRM
CO[C@]1(C(=O)[O-])CCN(C(=O)c2ccc(C#N)n2C)C1	ZINC001599073782	996822821	/nfs/dbraw/zinc/82/28/21/996822821.db2.gz	QFSUDNKJWQTCTC-CYBMUJFWSA-N	-1	0	277.280	0.212	20	30		CCEDRM
COC(=O)[C@@H](CCC(=O)[O-])NC(=O)CC(C)(C)C#N	ZINC001598890211	996977668	/nfs/dbraw/zinc/97/76/68/996977668.db2.gz	LLQSCRKSHGCPPC-MRVPVSSYSA-N	-1	0	270.285	0.449	20	30		CCEDRM
CC1(C)CNC(=O)[C@@H]1N[C@@H](C(=O)[O-])c1cccc(C#N)c1	ZINC001593949809	997019588	/nfs/dbraw/zinc/01/95/88/997019588.db2.gz	ZDXGLKBWMPYNDW-NEPJUHHUSA-N	-1	0	287.319	0.798	20	30		CCEDRM
CON(C(=O)c1ccc(C#N)[nH]1)[C@H](C)CC(=O)[O-]	ZINC001599312198	997434798	/nfs/dbraw/zinc/43/47/98/997434798.db2.gz	QOURWEKEXYHSSY-SSDOTTSWSA-N	-1	0	251.242	0.753	20	30		CCEDRM
CON=CC(=O)N1CCC(O)(C2(C(=O)[O-])CCC2)CC1	ZINC001599320910	997579170	/nfs/dbraw/zinc/57/91/70/997579170.db2.gz	VZSSDKLXIUGNFV-UHFFFAOYSA-N	-1	0	284.312	0.227	20	30		CCEDRM
CON=CC(=O)Nc1c(C)ccc(C(=O)[O-])c1O	ZINC001599321250	997585195	/nfs/dbraw/zinc/58/51/95/997585195.db2.gz	WQTWUYPTZIRCTQ-UHFFFAOYSA-N	-1	0	252.226	0.970	20	30		CCEDRM
COc1c(C#N)ccc(=O)n1CCCCC(=O)[O-]	ZINC001599328678	997708748	/nfs/dbraw/zinc/70/87/48/997708748.db2.gz	NTDXKXPUUVBGGG-UHFFFAOYSA-N	-1	0	250.254	0.983	20	30		CCEDRM
CO[C@@H]1CCN(C(=O)c2ccc(C#N)o2)[C@H](C(=O)[O-])C1	ZINC001599119408	997711805	/nfs/dbraw/zinc/71/18/05/997711805.db2.gz	CPFAWKAAZWFBCW-SCZZXKLOSA-N	-1	0	278.264	0.855	20	30		CCEDRM
CO[C@H]1CCN(C(=O)c2cc(C#N)[nH]c2C)[C@H](C(=O)[O-])C1	ZINC001599121529	997747387	/nfs/dbraw/zinc/74/73/87/997747387.db2.gz	WKMBPMPJQAWLOY-JQWIXIFHSA-N	-1	0	291.307	0.899	20	30		CCEDRM
CO[C@H]1CN(C(=O)c2ccc(C#N)[nH]2)[C@@](C)(C(=O)[O-])C1	ZINC001599128553	997896995	/nfs/dbraw/zinc/89/69/95/997896995.db2.gz	BIKOBXIPWIWGQZ-NOZJJQNGSA-N	-1	0	277.280	0.591	20	30		CCEDRM
COCCN(CCC#N)C(=O)CCc1ocnc1C(=O)[O-]	ZINC001599235573	997938877	/nfs/dbraw/zinc/93/88/77/997938877.db2.gz	DFMZXQSBMZKIIB-UHFFFAOYSA-N	-1	0	295.295	0.694	20	30		CCEDRM
COCC#CC(=O)N1CCc2ccccc2[C@H]1C(=O)[O-]	ZINC001599138151	998080408	/nfs/dbraw/zinc/08/04/08/998080408.db2.gz	IWYUJCBGFWMWQH-AWEZNQCLSA-N	-1	0	273.288	0.847	20	30		CCEDRM
COCC#CCON=C(N)COc1cccc(C(=O)[O-])c1	ZINC001599140815	998126314	/nfs/dbraw/zinc/12/63/14/998126314.db2.gz	FNYXPGOKFQMYGH-UHFFFAOYSA-N	-1	0	292.291	0.912	20	30		CCEDRM
CC1=C(C(=O)[O-])C[C@@H](Cn2cnc(C#N)cc2=O)O1	ZINC001594108253	998176931	/nfs/dbraw/zinc/17/69/31/998176931.db2.gz	FQCFOVJHODKLJE-VIFPVBQESA-N	-1	0	261.237	0.262	20	30		CCEDRM
C[C@H]1[C@H](C(=O)[O-])CCN1C(=O)CNc1ccc(C#N)cn1	ZINC001594147699	998499000	/nfs/dbraw/zinc/49/90/00/998499000.db2.gz	UXVMMELBAOFZHJ-GXSJLCMTSA-N	-1	0	288.307	0.687	20	30		CCEDRM
C[C@@H]1[C@H](C(=O)[O-])CCN1C(=O)c1cccc(C#CCO)c1	ZINC001594159729	998593899	/nfs/dbraw/zinc/59/38/99/998593899.db2.gz	UXJYCTVNGWOCRT-BXUZGUMPSA-N	-1	0	287.315	0.966	20	30		CCEDRM
CC1CC(C#N)(C(=O)N[C@@H](CC2OCCO2)C(=O)[O-])C1	ZINC001594201006	998775854	/nfs/dbraw/zinc/77/58/54/998775854.db2.gz	UHPICEIHPTUWRN-JVVWGOMOSA-N	-1	0	282.296	0.259	20	30		CCEDRM
N#Cc1ccc(S(=O)(=O)N[C@H]2C=C[C@@H](C(=O)[O-])C2)cc1	ZINC000092181577	290647363	/nfs/dbraw/zinc/64/73/63/290647363.db2.gz	YZIPLHUTBMPGSJ-MNOVXSKESA-N	-1	0	292.316	0.866	20	30		CCEDRM
N#Cc1cccc(CS(=O)(=O)NCCOCC(=O)[O-])c1	ZINC000093228399	290648668	/nfs/dbraw/zinc/64/86/68/290648668.db2.gz	YGGYCCHDHFJHDJ-UHFFFAOYSA-N	-1	0	298.320	0.079	20	30		CCEDRM
N#CC1(CS(=O)(=O)N2CC(F)(F)C[C@H]2C(=O)[O-])CC1	ZINC000600657284	362027037	/nfs/dbraw/zinc/02/70/37/362027037.db2.gz	ODEFXEXMIDDWCN-ZETCQYMHSA-N	-1	0	294.279	0.414	20	30		CCEDRM
C=C(C)[C@@H]1OCC[C@H]1CNC(=O)CSCC(=O)[O-]	ZINC000600871093	362083849	/nfs/dbraw/zinc/08/38/49/362083849.db2.gz	AWMPJMNSRRTDOS-CABZTGNLSA-N	-1	0	273.354	0.902	20	30		CCEDRM
C=C(C)C[C@H](N=c1ccc(C(=O)OC)n[n-]1)C(=O)OC	ZINC000601227722	362183807	/nfs/dbraw/zinc/18/38/07/362183807.db2.gz	REDWAQGSBMXKRQ-JTQLQIEISA-N	-1	0	279.296	0.605	20	30		CCEDRM
CN=c1[n-]nc(CC(=O)NCC(C)(C)C#N)s1	ZINC000354340463	529834405	/nfs/dbraw/zinc/83/44/05/529834405.db2.gz	LOFIKROLWOETBE-UHFFFAOYSA-N	-1	0	253.331	0.210	20	30		CCEDRM
C=C[C@@H](CCC(=O)[O-])NS(=O)(=O)c1c[nH]c(C)n1	ZINC000573540653	334945415	/nfs/dbraw/zinc/94/54/15/334945415.db2.gz	SRORCWOTUHUREH-QMMMGPOBSA-N	-1	0	273.314	0.416	20	30		CCEDRM
N#Cc1c[n-][nH]c1=NC(=O)[C@@H]1COCCN1C1CCCC1	ZINC000601638768	362336129	/nfs/dbraw/zinc/33/61/29/362336129.db2.gz	KQEHQSNBYWORKW-LBPRGKRZSA-N	-1	0	289.339	0.285	20	30		CCEDRM
N#Cc1c[n-][nH]c1=NC(=O)[C@@H]1C[C@H]1C1CCOCC1	ZINC000601636954	362334135	/nfs/dbraw/zinc/33/41/35/362334135.db2.gz	PTRBPXHNLHFVRR-WDEREUQCSA-N	-1	0	260.297	0.704	20	30		CCEDRM
N#Cc1c[n-][nH]c1=NC(=O)[C@H]1CCCN1c1nccs1	ZINC000601639831	362335572	/nfs/dbraw/zinc/33/55/72/362335572.db2.gz	TUHSALSUMUVVON-SECBINFHSA-N	-1	0	288.336	0.767	20	30		CCEDRM
C=CCOCCNC(=O)[C@@H](C)S[C@@H](C)C(=O)[O-]	ZINC000601988853	362451511	/nfs/dbraw/zinc/45/15/11/362451511.db2.gz	ANCZXKDQENVAJL-BDAKNGLRSA-N	-1	0	261.343	0.900	20	30		CCEDRM
COc1cc(CNC(=O)[C@@H]2C[C@@H]2C(=O)[O-])ccc1C#N	ZINC000601995023	362452615	/nfs/dbraw/zinc/45/26/15/362452615.db2.gz	QZDHJMATTPEJSE-MNOVXSKESA-N	-1	0	274.276	0.904	20	30		CCEDRM
CCN(CC1CC1)C(=O)CCn1cc(C#N)c(=O)[n-]c1=O	ZINC000602101921	362488548	/nfs/dbraw/zinc/48/85/48/362488548.db2.gz	ZGRVXEVFILABDL-UHFFFAOYSA-N	-1	0	290.323	0.469	20	30		CCEDRM
CC[C@H](C)CN(CC)C(=O)Cn1cc(C#N)c(=O)[n-]c1=O	ZINC000602114625	362498284	/nfs/dbraw/zinc/49/82/84/362498284.db2.gz	DQUWLCDOMASOPG-JTQLQIEISA-N	-1	0	292.339	0.715	20	30		CCEDRM
N#Cc1cn(CC(=O)N2CC[C@H](C3CC3)C2)c(=O)[n-]c1=O	ZINC000602132436	362511367	/nfs/dbraw/zinc/51/13/67/362511367.db2.gz	GTYUMQWAVDXVCN-JTQLQIEISA-N	-1	0	288.307	0.079	20	30		CCEDRM
CC12CC(C1)CN2C(=O)CCn1cc(C#N)c(=O)[n-]c1=O	ZINC000602189432	362548553	/nfs/dbraw/zinc/54/85/53/362548553.db2.gz	ORAYFJLCSPYDAA-UHFFFAOYSA-N	-1	0	288.307	0.222	20	30		CCEDRM
COc1n[nH]c([N-]S(=O)(=O)c2ccc(C#N)o2)n1	ZINC000342496243	137097467	/nfs/dbraw/zinc/09/74/67/137097467.db2.gz	VOXXTJVAAJPYIT-UHFFFAOYSA-N	-1	0	269.242	0.079	20	30		CCEDRM
N#Cc1ncn(CCN=c2[n-]nc(-c3ccccn3)s2)n1	ZINC000343518680	137139871	/nfs/dbraw/zinc/13/98/71/137139871.db2.gz	GIMAJSVYQZCWRR-UHFFFAOYSA-N	-1	0	298.335	0.597	20	30		CCEDRM
N#Cc1cccc(CCNC(=O)[C@H]2CC[C@@H](C(=O)[O-])O2)c1	ZINC000344542691	137200703	/nfs/dbraw/zinc/20/07/03/137200703.db2.gz	CFTNAWIRAQVCOC-OLZOCXBDSA-N	-1	0	288.303	0.849	20	30		CCEDRM
CC[C@H](NS(=O)(=O)c1ccccc1C#N)C(=O)[O-]	ZINC000035085821	348155225	/nfs/dbraw/zinc/15/52/25/348155225.db2.gz	NNHKGKRDPGDLKD-VIFPVBQESA-N	-1	0	268.294	0.700	20	30		CCEDRM
C[C@@H]1SCC[C@@H]1NC(=O)N=c1[n-]n(C)cc1C#N	ZINC000602889674	362867376	/nfs/dbraw/zinc/86/73/76/362867376.db2.gz	ZDNUXNYHPSWCEJ-CBAPKCEASA-N	-1	0	265.342	0.729	20	30		CCEDRM
Cn1cc(C#N)c(=NC(=O)N2CC3(CC3(F)F)C2)[n-]1	ZINC000602889104	362867510	/nfs/dbraw/zinc/86/75/10/362867510.db2.gz	WPIISGJSAZMZTL-UHFFFAOYSA-N	-1	0	267.239	0.587	20	30		CCEDRM
CN(C(=O)N=c1[n-]n(C)cc1C#N)[C@@H](CO)c1ccccc1	ZINC000602880881	362860568	/nfs/dbraw/zinc/86/05/68/362860568.db2.gz	NVVLRVZPXOJVJY-ZDUSSCGKSA-N	-1	0	299.334	0.911	20	30		CCEDRM
CC(C)n1cc(C#N)c(=NC(=O)[C@H]2CC(=O)N(C)C2)[n-]1	ZINC000345200016	137238943	/nfs/dbraw/zinc/23/89/43/137238943.db2.gz	GNUHWOUSOQYOCU-VIFPVBQESA-N	-1	0	275.312	0.174	20	30		CCEDRM
N#Cc1cccc(S(=O)(=O)N2CCO[C@H](C(=O)[O-])C2)c1	ZINC000043703067	348312691	/nfs/dbraw/zinc/31/26/91/348312691.db2.gz	SKBAKWOBQROVCD-NSHDSACASA-N	-1	0	296.304	0.032	20	30		CCEDRM
N#Cc1ccc(NC(=O)N[C@]2(C(=O)[O-])CCOC2)cc1	ZINC000085854878	349336597	/nfs/dbraw/zinc/33/65/97/349336597.db2.gz	MIAWIGHZXKPTBQ-CYBMUJFWSA-N	-1	0	275.264	0.923	20	30		CCEDRM
CC(C)NC(=O)CCCC(=O)Nc1nc(C#N)c(C#N)[n-]1	ZINC000104843739	186028104	/nfs/dbraw/zinc/02/81/04/186028104.db2.gz	OOSMBEUPLSMLSQ-UHFFFAOYSA-N	-1	0	288.311	0.786	20	30		CCEDRM
C[C@@H](NS(=O)(=O)c1cc(C#N)ccc1Cl)C(=O)[O-]	ZINC000130612995	350242070	/nfs/dbraw/zinc/24/20/70/350242070.db2.gz	NFYIKFSYUFIEEL-ZCFIWIBFSA-N	-1	0	288.712	0.963	20	30		CCEDRM
Cn1cc(C#N)c([N-]S(=O)(=O)c2cccc(C#N)c2)n1	ZINC000123336005	187085290	/nfs/dbraw/zinc/08/52/90/187085290.db2.gz	MJIREBTXFLKEAI-UHFFFAOYSA-N	-1	0	287.304	0.964	20	30		CCEDRM
N#Cc1ccc(S(=O)(=O)NC2(C(=O)[O-])CCC2)cn1	ZINC000228698731	352080797	/nfs/dbraw/zinc/08/07/97/352080797.db2.gz	JIFVGJGXPRUGQF-UHFFFAOYSA-N	-1	0	281.293	0.239	20	30		CCEDRM
CN(Cc1nc(=O)o[n-]1)c1nc(C#N)c(Cl)s1	ZINC000603392402	363106827	/nfs/dbraw/zinc/10/68/27/363106827.db2.gz	IBLBPLJSRFIVAD-UHFFFAOYSA-N	-1	0	271.689	0.981	20	30		CCEDRM
N#Cc1ccc(S(=O)(=O)NC2(C(=O)[O-])CC2)s1	ZINC000230325516	352111473	/nfs/dbraw/zinc/11/14/73/352111473.db2.gz	BBMNHIVNTMWJMI-UHFFFAOYSA-N	-1	0	272.307	0.515	20	30		CCEDRM
N#Cc1ccc(S(=O)(=O)N2CC(C(=O)[O-])C2)s1	ZINC000230325166	352111663	/nfs/dbraw/zinc/11/16/63/352111663.db2.gz	JXRRPEWGAAUABG-UHFFFAOYSA-N	-1	0	272.307	0.325	20	30		CCEDRM
C[C@@H]1OCC[C@@]1(C)NS(=O)(=O)c1cccnc1C#N	ZINC000235458700	352184677	/nfs/dbraw/zinc/18/46/77/352184677.db2.gz	VQDRKUDYOKHZBN-JOYOIKCWSA-N	-1	0	281.337	0.799	20	30		CCEDRM
C=CCSCCNC(=O)N[C@H](CCOC)C(=O)[O-]	ZINC000231957100	352139123	/nfs/dbraw/zinc/13/91/23/352139123.db2.gz	GBDGOIMBLJIRTG-SECBINFHSA-N	-1	0	276.358	0.695	20	30		CCEDRM
CC(C)(CNS(=O)(=O)c1cccc(C#N)c1)C(=O)[O-]	ZINC000137480539	187898624	/nfs/dbraw/zinc/89/86/24/187898624.db2.gz	KBYZPCDPJNFKGD-UHFFFAOYSA-N	-1	0	282.321	0.947	20	30		CCEDRM
CC#CC[C@@H](NS(=O)(=O)C[C@@H](C)CC)C(=O)[O-]	ZINC000274980455	353177124	/nfs/dbraw/zinc/17/71/24/353177124.db2.gz	JPBHOMJYXXVVBQ-VHSXEESVSA-N	-1	0	261.343	0.819	20	30		CCEDRM
C#CCNC(=O)c1ccccc1[N-]S(=O)(=O)CCOC	ZINC000154342871	188136580	/nfs/dbraw/zinc/13/65/80/188136580.db2.gz	FQLKSHDFHMTWOK-UHFFFAOYSA-N	-1	0	296.348	0.438	20	30		CCEDRM
C=CC[C@@H](CO)NC(=O)C(C)(C)[N-]C(=O)C(F)(F)F	ZINC000277347976	353237951	/nfs/dbraw/zinc/23/79/51/353237951.db2.gz	NRAJDBOEDUBEDB-ZETCQYMHSA-N	-1	0	282.262	0.497	20	30		CCEDRM
N#Cc1cncc(S(=O)(=O)[N-]c2nncs2)c1	ZINC000336732364	355154847	/nfs/dbraw/zinc/15/48/47/355154847.db2.gz	ZKCYKKZWXGIKNY-UHFFFAOYSA-N	-1	0	267.295	0.606	20	30		CCEDRM
COC(=O)Cc1occc1C(=O)Nc1nc(C#N)c(C#N)[n-]1	ZINC000352610690	356031068	/nfs/dbraw/zinc/03/10/68/356031068.db2.gz	VSHCQOXDOBVHSL-UHFFFAOYSA-N	-1	0	299.246	0.714	20	30		CCEDRM
COc1cc([N-]S(=O)(=O)c2ccc(C#N)nc2)ncn1	ZINC000360937319	138016345	/nfs/dbraw/zinc/01/63/45/138016345.db2.gz	ZQZSKCYNROWZRA-UHFFFAOYSA-N	-1	0	291.292	0.553	20	30		CCEDRM
CC[C@@H](CC#N)NC(=O)N=c1ccc(C(=O)OC)n[n-]1	ZINC000619629391	366304784	/nfs/dbraw/zinc/30/47/84/366304784.db2.gz	FBXJSSRGAPFYTQ-QMMMGPOBSA-N	-1	0	277.284	0.499	20	30		CCEDRM
N#CCn1c(C(=O)NCc2nnn[n-]2)cc2ccccc21	ZINC000609532733	363502768	/nfs/dbraw/zinc/50/27/68/363502768.db2.gz	PKUSWZIYNQOBRX-UHFFFAOYSA-N	-1	0	281.279	0.608	20	30		CCEDRM
C[C@@H]1[C@H](C(=O)Nc2nc(C#N)c(C#N)[n-]2)C1(F)F	ZINC000359826324	356904121	/nfs/dbraw/zinc/90/41/21/356904121.db2.gz	JRLRYVFGBJWDAN-CLZZGJSISA-N	-1	0	251.196	0.993	20	30		CCEDRM
Cc1[n-][nH]c(=NC(=O)[C@@H]2Cc3ccccc3O2)c1C#N	ZINC000377222822	357555596	/nfs/dbraw/zinc/55/55/96/357555596.db2.gz	NMOBIPMMJLDLTN-LBPRGKRZSA-N	-1	0	268.276	0.954	20	30		CCEDRM
N#Cc1ccc(C(=O)NCc2n[n-]c(=N)o2)cc1Cl	ZINC000561322785	291126947	/nfs/dbraw/zinc/12/69/47/291126947.db2.gz	SCRUFBCFXSVVNH-UHFFFAOYSA-N	-1	0	277.671	0.937	20	30		CCEDRM
N#Cc1c(C2CC2)[n-][nH]c1=NC(=O)[C@@H]1CCn2cncc2C1	ZINC000329274549	202261758	/nfs/dbraw/zinc/26/17/58/202261758.db2.gz	BEEOAPZYCMCTGS-SNVBAGLBSA-N	-1	0	296.334	0.978	20	30		CCEDRM
N#Cc1cn(C2CN(C(=O)CCC3CC3)C2)c(=O)[n-]c1=O	ZINC000530270690	358387924	/nfs/dbraw/zinc/38/79/24/358387924.db2.gz	RMXXBEYTCJWSTE-UHFFFAOYSA-N	-1	0	288.307	0.394	20	30		CCEDRM
N#CC1(CS(=O)(=O)NCC2(C(=O)[O-])CCCC2)CC1	ZINC000571709740	358925092	/nfs/dbraw/zinc/92/50/92/358925092.db2.gz	WIFDYJABEZJGNK-UHFFFAOYSA-N	-1	0	286.353	0.855	20	30		CCEDRM
C=CCOC[C@@H](NC(=O)NCC1CCC1)C(=O)[O-]	ZINC000571751360	358925231	/nfs/dbraw/zinc/92/52/31/358925231.db2.gz	AIPCSHFNQFMXHF-SNVBAGLBSA-N	-1	0	256.302	0.742	20	30		CCEDRM
CC(C)(CNS(=O)(=O)CC1(CC#N)CC1)C(=O)[O-]	ZINC000573820579	359003560	/nfs/dbraw/zinc/00/35/60/359003560.db2.gz	WBKSDAHUBDKGOZ-UHFFFAOYSA-N	-1	0	274.342	0.710	20	30		CCEDRM
CC(C)(C(=O)NCc1nnn[n-]1)c1cc(F)cc(C#N)c1	ZINC000586779320	359289418	/nfs/dbraw/zinc/28/94/18/359289418.db2.gz	KDOJJAFPCBSVCG-UHFFFAOYSA-N	-1	0	288.286	0.804	20	30		CCEDRM
Cn1cc(C#N)c(=NC(=O)NCCCc2ccccn2)[n-]1	ZINC000610936176	363633863	/nfs/dbraw/zinc/63/38/63/363633863.db2.gz	BWKUSPYSEJHRBZ-UHFFFAOYSA-N	-1	0	284.323	0.863	20	30		CCEDRM
N#Cc1cc(O)cc(C(=O)NCCCc2n[nH]c(=O)[n-]2)c1	ZINC000589189046	359368176	/nfs/dbraw/zinc/36/81/76/359368176.db2.gz	WJCJWYFHOCOLDT-UHFFFAOYSA-N	-1	0	287.279	0.450	20	30		CCEDRM
CCC(=O)N1CSC[C@@H]1C(=O)N=c1[nH][n-]c(C)c1C#N	ZINC000588714899	359332763	/nfs/dbraw/zinc/33/27/63/359332763.db2.gz	QTVPOZVVRXPGOC-SECBINFHSA-N	-1	0	293.352	0.262	20	30		CCEDRM
CCCn1cc(C(=O)N=c2[nH][n-]c(C)c2C#N)nn1	ZINC000588714675	359333226	/nfs/dbraw/zinc/33/32/26/359333226.db2.gz	DTFHGFOQSPFFRG-UHFFFAOYSA-N	-1	0	259.273	0.266	20	30		CCEDRM
N#Cc1cccc(C(=O)NC2(c3nnn[n-]3)CCCC2)n1	ZINC000589838668	359404157	/nfs/dbraw/zinc/40/41/57/359404157.db2.gz	DIBBJCILBVAKGY-UHFFFAOYSA-N	-1	0	283.295	0.666	20	30		CCEDRM
N#Cc1csc(C(=O)N=c2[n-]nc3nc[nH]n32)c1	ZINC000590379868	359446374	/nfs/dbraw/zinc/44/63/74/359446374.db2.gz	SMUJNKBFDNLNGY-UHFFFAOYSA-N	-1	0	259.254	0.060	20	30		CCEDRM
N#CCc1cccc(S(=O)(=O)NCC2(C(=O)[O-])CC2)c1	ZINC000590898701	359536575	/nfs/dbraw/zinc/53/65/75/359536575.db2.gz	ITUBDWOFTWOJTH-UHFFFAOYSA-N	-1	0	294.332	0.896	20	30		CCEDRM
CN(C(=O)N=c1[n-]n(C)cc1C#N)[C@@H](CO)CC(C)(C)C	ZINC000590819544	359527197	/nfs/dbraw/zinc/52/71/97/359527197.db2.gz	MNYMDIPSRCQAOW-LLVKDONJSA-N	-1	0	293.371	0.974	20	30		CCEDRM
Cc1c(C#N)c(=NC(=O)[C@H](C)Oc2ccccn2)[n-]n1C	ZINC000592649199	359909499	/nfs/dbraw/zinc/90/94/99/359909499.db2.gz	KQVFOLCCBUKPOF-JTQLQIEISA-N	-1	0	285.307	0.823	20	30		CCEDRM
Cc1c(C#N)c(=NC(=O)[C@H](C)c2ccnn2C)[n-]n1C	ZINC000592650885	359909530	/nfs/dbraw/zinc/90/95/30/359909530.db2.gz	QZRKBNLWDVICMC-MRVPVSSYSA-N	-1	0	272.312	0.498	20	30		CCEDRM
Cc1c(C#N)c(=NC(=O)[C@@H]2[C@H]3CCCO[C@H]32)[n-]n1C	ZINC000592655903	359910322	/nfs/dbraw/zinc/91/03/22/359910322.db2.gz	ZBRKRZLZBBQPLC-FBIMIBRVSA-N	-1	0	260.297	0.386	20	30		CCEDRM
Cc1c(C#N)c(=NC(=O)[C@H]2CCO[C@H](C)C2)[n-]n1C	ZINC000592655000	359910386	/nfs/dbraw/zinc/91/03/86/359910386.db2.gz	UUZMXJXJFHOONI-SCZZXKLOSA-N	-1	0	262.313	0.776	20	30		CCEDRM
C=CCn1cc(C(=O)N=c2cc(C(=O)OCC)[n-][nH]2)nn1	ZINC000592786528	359935527	/nfs/dbraw/zinc/93/55/27/359935527.db2.gz	DIVSRTFDBCNREN-UHFFFAOYSA-N	-1	0	290.283	0.038	20	30		CCEDRM
N#CC[C@@]1(O)CCN(C(=O)c2cc([O-])ccc2[N+](=O)[O-])C1	ZINC000592850069	359954474	/nfs/dbraw/zinc/95/44/74/359954474.db2.gz	PMIYLIJXTFICPX-CYBMUJFWSA-N	-1	0	291.263	0.791	20	30		CCEDRM
Cc1c(C(C)C)[nH][nH]c1=NC(=O)[C@@H](C)n1cnc(C#N)n1	ZINC000592949592	359992706	/nfs/dbraw/zinc/99/27/06/359992706.db2.gz	KNYFBGPWLIBZDZ-SECBINFHSA-N	-1	0	287.327	0.926	20	30		CCEDRM
N#Cc1sccc1S(=O)(=O)NCCC(=O)[O-]	ZINC000593250818	360055758	/nfs/dbraw/zinc/05/57/58/360055758.db2.gz	FFIUZELPBMMLAI-UHFFFAOYSA-N	-1	0	260.296	0.373	20	30		CCEDRM
C[C@H](CCC(=O)[O-])NS(=O)(=O)CC1(CC#N)CC1	ZINC000593256537	360056501	/nfs/dbraw/zinc/05/65/01/360056501.db2.gz	KDWIHNURTCWUSX-SECBINFHSA-N	-1	0	274.342	0.853	20	30		CCEDRM
C=C(C)CS(=O)(=O)NCCSC[C@H](C)C(=O)[O-]	ZINC000593274303	360059653	/nfs/dbraw/zinc/05/96/53/360059653.db2.gz	RSUARIRMQITVNG-VIFPVBQESA-N	-1	0	281.399	0.936	20	30		CCEDRM
N#CCC1(CS(=O)(=O)N(CC(=O)[O-])C2CCC2)CC1	ZINC000593945336	360221398	/nfs/dbraw/zinc/22/13/98/360221398.db2.gz	RGLPEFMZMZITHC-UHFFFAOYSA-N	-1	0	286.353	0.949	20	30		CCEDRM
COCCCOCCN(C)C(=O)N=c1[n-]n(C)cc1C#N	ZINC000611358191	363710556	/nfs/dbraw/zinc/71/05/56/363710556.db2.gz	RUGYHVLAUDCCQK-UHFFFAOYSA-N	-1	0	295.343	0.230	20	30		CCEDRM
Cn1cc(C#N)c(=NC(=O)N2CCC(F)(F)C2)[n-]1	ZINC000611453417	363719480	/nfs/dbraw/zinc/71/94/80/363719480.db2.gz	GKEARJJXHZGHQD-UHFFFAOYSA-N	-1	0	255.228	0.587	20	30		CCEDRM
C[C@@H](CNC(=O)C(=O)Nc1sccc1C#N)C(=O)[O-]	ZINC000594531626	360327703	/nfs/dbraw/zinc/32/77/03/360327703.db2.gz	ULXZAFFBGYFIKZ-LURJTMIESA-N	-1	0	281.293	0.395	20	30		CCEDRM
C[C@@H](CNC(=O)C(=O)NCc1cccc(C#N)c1)C(=O)[O-]	ZINC000594539598	360327708	/nfs/dbraw/zinc/32/77/08/360327708.db2.gz	PBWYEIGDMITRNB-VIFPVBQESA-N	-1	0	289.291	0.011	20	30		CCEDRM
C=CCCSCCNC(=O)N[C@@]1(C(=O)[O-])CCOC1	ZINC000594690117	360360513	/nfs/dbraw/zinc/36/05/13/360360513.db2.gz	FBENGPGSQDLSJE-LBPRGKRZSA-N	-1	0	288.369	0.839	20	30		CCEDRM
CN(C[C@@H]1CCCC[C@@H]1O)C(=O)N=c1[n-]n(C)cc1C#N	ZINC000611503760	363728118	/nfs/dbraw/zinc/72/81/18/363728118.db2.gz	HYWFXCKQXLMREB-JQWIXIFHSA-N	-1	0	291.355	0.728	20	30		CCEDRM
CN(CCC(=O)[O-])C(=O)C(=O)NCC1(C#N)CCCCC1	ZINC000595276861	360474624	/nfs/dbraw/zinc/47/46/24/360474624.db2.gz	WLMOPRPGGFPBJY-UHFFFAOYSA-N	-1	0	295.339	0.510	20	30		CCEDRM
CC(C)C[C@H](CNC(=O)NCC(=O)NCC#N)CC(=O)[O-]	ZINC000595263449	360465394	/nfs/dbraw/zinc/46/53/94/360465394.db2.gz	PZWNYOOBWGXPDV-JTQLQIEISA-N	-1	0	298.343	0.062	20	30		CCEDRM
N#Cc1sccc1N1CCN(Cc2n[nH]c(=O)[n-]2)CC1	ZINC000595630611	360601876	/nfs/dbraw/zinc/60/18/76/360601876.db2.gz	GUSHFZXMBDPFGC-UHFFFAOYSA-N	-1	0	290.352	0.766	20	30		CCEDRM
Cc1nsc(N2C[C@@H]3COC[C@]3(C(=O)[O-])C2)c1C#N	ZINC000595973361	360747724	/nfs/dbraw/zinc/74/77/24/360747724.db2.gz	QKUAZRRSWPPYDI-PRHODGIISA-N	-1	0	279.321	0.861	20	30		CCEDRM
N#Cc1nc(N[C@@H]2C[C@@H](C(=O)[O-])C[C@H]2O)ccc1Cl	ZINC000595975308	360750531	/nfs/dbraw/zinc/75/05/31/360750531.db2.gz	ARGASINBYNJEQB-GTNGPMTGSA-N	-1	0	281.699	0.665	20	30		CCEDRM
Cc1cc(N[C@@H]2C[C@H](C(=O)[O-])C[C@@H]2O)c(C#N)cn1	ZINC000595977568	360753890	/nfs/dbraw/zinc/75/38/90/360753890.db2.gz	GYYCBTOIEUGQOK-AXTRIDKLSA-N	-1	0	261.281	0.320	20	30		CCEDRM
N#Cc1cccc(C(=O)N2C[C@@H]3COC[C@]3(C(=O)[O-])C2)c1	ZINC000596000860	360773433	/nfs/dbraw/zinc/77/34/33/360773433.db2.gz	NVODFPCWKNTCJP-IUODEOHRSA-N	-1	0	286.287	0.731	20	30		CCEDRM
C[C@H](CC#N)C(=O)Nc1nnc([N-]S(C)(=O)=O)s1	ZINC000596886162	360973386	/nfs/dbraw/zinc/97/33/86/360973386.db2.gz	CLTKUCFNXUDMCJ-RXMQYKEDSA-N	-1	0	289.342	0.398	20	30		CCEDRM
C=CCC[C@@H](NC(=O)c1cc(=O)n(C)[n-]1)C(=O)OCC	ZINC000597732078	361214775	/nfs/dbraw/zinc/21/47/75/361214775.db2.gz	HLJNRFUMDFSHOD-SECBINFHSA-N	-1	0	281.312	0.753	20	30		CCEDRM
N#Cc1cscc1C(=O)NCCCc1n[nH]c(=O)[n-]1	ZINC000598687584	361483961	/nfs/dbraw/zinc/48/39/61/361483961.db2.gz	DYISSBFXVTYARK-UHFFFAOYSA-N	-1	0	277.309	0.806	20	30		CCEDRM
Cc1cc(C(=O)N(C)Cc2n[n-]c(=O)o2)ncc1C#N	ZINC000598747000	361508093	/nfs/dbraw/zinc/50/80/93/361508093.db2.gz	WJEQHTJZJSGKKG-UHFFFAOYSA-N	-1	0	273.252	0.623	20	30		CCEDRM
Cn1cc(C#N)c(=NC(=O)C(C)(C)n2cccn2)[n-]1	ZINC000598817729	361522068	/nfs/dbraw/zinc/52/20/68/361522068.db2.gz	XYYDGZNYXZKYGS-UHFFFAOYSA-N	-1	0	258.285	0.284	20	30		CCEDRM
Cn1cc(C#N)c(=NC(=O)NCC[C@H]2CCOC2)[n-]1	ZINC000612313509	363883432	/nfs/dbraw/zinc/88/34/32/363883432.db2.gz	MKFIAOGSHDXDRH-VIFPVBQESA-N	-1	0	263.301	0.262	20	30		CCEDRM
N#CC1(CS(=O)(=O)N2CCCCC[C@H]2C(=O)[O-])CC1	ZINC000614381728	364589204	/nfs/dbraw/zinc/58/92/04/364589204.db2.gz	GYFAPXOKVLXXLS-JTQLQIEISA-N	-1	0	286.353	0.949	20	30		CCEDRM
C=C[C@@](C)(O)C(=O)N1CCC[C@H](c2n[nH]c(=O)[n-]2)C1	ZINC000614518675	364646624	/nfs/dbraw/zinc/64/66/24/364646624.db2.gz	KELMNCDYJLQCPE-QPUJVOFHSA-N	-1	0	266.301	0.153	20	30		CCEDRM
C[C@H](C(=O)[O-])C(=O)N1CCN(c2cc(C#N)ccn2)CC1	ZINC000564954177	291325267	/nfs/dbraw/zinc/32/52/67/291325267.db2.gz	LXDIMSZIRZLOPL-JTQLQIEISA-N	-1	0	288.307	0.323	20	30		CCEDRM
C[C@@H]1CSCCN(C(=O)N=c2[n-]n(C)cc2C#N)C1	ZINC000616990001	365509627	/nfs/dbraw/zinc/50/96/27/365509627.db2.gz	PVHPFDUGROIZTQ-VIFPVBQESA-N	-1	0	279.369	0.930	20	30		CCEDRM
C=CC[C@H]1CCN(C(=O)c2cnc([O-])n(C)c2=O)C1	ZINC000628488665	369276429	/nfs/dbraw/zinc/27/64/29/369276429.db2.gz	FHRQSOFCKVUIQX-VIFPVBQESA-N	-1	0	263.297	0.524	20	30		CCEDRM
C=CCOC[C@H](NC(=O)c1oc(C)nc1C)C(=O)[O-]	ZINC000630185736	369995828	/nfs/dbraw/zinc/99/58/28/369995828.db2.gz	FTNFUVBGVGUSTI-VIFPVBQESA-N	-1	0	268.269	0.677	20	30		CCEDRM
C=C(C)C[C@@H](NC(=O)c1ccn(C)c(=O)c1)C(=O)[O-]	ZINC000630317494	370045165	/nfs/dbraw/zinc/04/51/65/370045165.db2.gz	QXFFANONYRRFSS-SNVBAGLBSA-N	-1	0	264.281	0.535	20	30		CCEDRM
C=C(C)C[C@@H](NC(=O)c1cc(OC)n(C)n1)C(=O)[O-]	ZINC000630321310	370046957	/nfs/dbraw/zinc/04/69/57/370046957.db2.gz	HREMOOSXHKCAOV-SECBINFHSA-N	-1	0	267.285	0.578	20	30		CCEDRM
C=C(C)C[C@@H](NC(=O)[C@H](C)OCCOCC)C(=O)[O-]	ZINC000630327318	370048173	/nfs/dbraw/zinc/04/81/73/370048173.db2.gz	ZDLFXCYMNKSXGV-WDEREUQCSA-N	-1	0	273.329	0.964	20	30		CCEDRM
C=C(C)C[C@H](NC(=O)[C@H](C)n1cccn1)C(=O)[O-]	ZINC000630317510	370044549	/nfs/dbraw/zinc/04/45/49/370044549.db2.gz	RBBPYBJBZHAZAH-UWVGGRQHSA-N	-1	0	251.286	0.980	20	30		CCEDRM
C=C(C)C[C@@H](NC(=O)CCc1cnn(C)c1)C(=O)[O-]	ZINC000630317220	370044639	/nfs/dbraw/zinc/04/46/39/370044639.db2.gz	MUPIWTJLAHWIHR-LLVKDONJSA-N	-1	0	265.313	0.888	20	30		CCEDRM
C=C(C)C[C@H](NC(=O)Cn1cc(C)cn1)C(=O)[O-]	ZINC000630316760	370044931	/nfs/dbraw/zinc/04/49/31/370044931.db2.gz	HLYUZNIITWATKS-JTQLQIEISA-N	-1	0	251.286	0.727	20	30		CCEDRM
C=C(C)C[C@H](NC(=O)c1ccc(=O)n(CC)n1)C(=O)[O-]	ZINC000630316993	370045050	/nfs/dbraw/zinc/04/50/50/370045050.db2.gz	KEIBILNWGPGBCZ-JTQLQIEISA-N	-1	0	279.296	0.412	20	30		CCEDRM
C=CCCS(=O)(=O)N[C@H](C(=O)[O-])[C@H]1CCCO1	ZINC000630423245	370108083	/nfs/dbraw/zinc/10/80/83/370108083.db2.gz	QPRVYVMWFFXWJK-BDAKNGLRSA-N	-1	0	263.315	0.114	20	30		CCEDRM
C=CCCOCC(=O)NC[C@]1(C(=O)[O-])CCCOC1	ZINC000630342619	370052939	/nfs/dbraw/zinc/05/29/39/370052939.db2.gz	YSGSJIAAVXLNDY-CYBMUJFWSA-N	-1	0	271.313	0.577	20	30		CCEDRM
Cc1[n-][nH]c(=NC(=O)[C@H]2C[C@H]3CC(=O)[C@@H]2C3)c1C#N	ZINC000633666715	371666817	/nfs/dbraw/zinc/66/68/17/371666817.db2.gz	VHDRHCZRCBREMJ-YIZRAAEISA-N	-1	0	258.281	0.565	20	30		CCEDRM
C=CCN(C(=O)C[C@]1(C(=O)[O-])CCOC1)[C@@H](C)COC	ZINC000634929711	372299785	/nfs/dbraw/zinc/29/97/85/372299785.db2.gz	QQQWEABMUQOWFQ-SMDDNHRTSA-N	-1	0	285.340	0.917	20	30		CCEDRM
C=C[C@@H]1OCC[C@H]1NC(=O)[C@H]1[C@@H](C(=O)[O-])C1(C)C	ZINC000634840765	372267726	/nfs/dbraw/zinc/26/77/26/372267726.db2.gz	UYCVLAWXQYVWRI-RGOKHQFPSA-N	-1	0	253.298	0.803	20	30		CCEDRM
CCCCc1n[n-]c(=NC(=O)NCC#CCO)s1	ZINC000639455238	375788777	/nfs/dbraw/zinc/78/87/77/375788777.db2.gz	QEDQIAJWVIENOW-UHFFFAOYSA-N	-1	0	268.342	0.420	20	30		CCEDRM
C=C(C)CN(C)C(=O)N=c1ccc(C(=O)NC)n[n-]1	ZINC000640326862	376320568	/nfs/dbraw/zinc/32/05/68/376320568.db2.gz	ZTIPIFTZXRBSAO-UHFFFAOYSA-N	-1	0	263.301	0.298	20	30		CCEDRM
N#Cc1c[n-]c(=O)n(CC(=O)NCC2CCCCC2)c1=O	ZINC000569575902	291689413	/nfs/dbraw/zinc/68/94/13/291689413.db2.gz	WSZGBVJQKQIGDF-UHFFFAOYSA-N	-1	0	290.323	0.105	20	30		CCEDRM
CC(C)CN(C(=O)Cn1c(=O)[n-]cc(C#N)c1=O)C(C)C	ZINC000571444251	291815551	/nfs/dbraw/zinc/81/55/51/291815551.db2.gz	KKJYQORYBKXOPY-UHFFFAOYSA-N	-1	0	292.339	0.301	20	30		CCEDRM
CCN(CCNC(=O)NCCCCC#N)C(=O)[O-]	ZINC000739431146	581552043	/nfs/dbraw/zinc/55/20/43/581552043.db2.gz	KFYQCYRPAGUAGG-UHFFFAOYSA-N	-1	0	256.306	0.979	20	30		CCEDRM
C#CCO[N-]C(=O)[C@@H]1CCCN1C(=O)OCC(F)(F)F	ZINC000291017869	388916394	/nfs/dbraw/zinc/91/63/94/388916394.db2.gz	CBEAPRIKOBPYBT-QMMMGPOBSA-N	-1	0	294.229	0.831	20	30		CCEDRM
C#CCO[N-]C(=O)CN1C(=O)N[C@]2(CCCC[C@@H]2C)C1=O	ZINC000291285545	388920440	/nfs/dbraw/zinc/92/04/40/388920440.db2.gz	PAKWSRMWDTZQDF-HZMBPMFUSA-N	-1	0	293.323	0.168	20	30		CCEDRM
C#CCO[N-]C(=O)[C@H](C)NS(=O)(=O)c1cccs1	ZINC000291360983	388921219	/nfs/dbraw/zinc/92/12/19/388921219.db2.gz	YFWUGHLOCPNINL-QMMMGPOBSA-N	-1	0	288.350	0.096	20	30		CCEDRM
Cc1noc(CCNC(=O)c2ccc(C#N)c(O)c2)n1	ZINC000188395637	388926402	/nfs/dbraw/zinc/92/64/02/388926402.db2.gz	KVDJJHOYZYIHNP-UHFFFAOYSA-N	-1	0	272.264	0.928	20	30		CCEDRM
C=CC[C@H](CO)CNC(=O)N=c1nc2ccccn2[n-]1	ZINC000354218097	389017236	/nfs/dbraw/zinc/01/72/36/389017236.db2.gz	AFTKUCNVRDLZRR-JTQLQIEISA-N	-1	0	275.312	0.457	20	30		CCEDRM
Cn1cccc(N/C([O-])=N/[C@H]2CCc3nc[nH]c3C2)c1=O	ZINC000329777767	389199272	/nfs/dbraw/zinc/19/92/72/389199272.db2.gz	KQNCCAKPQKEIRL-VIFPVBQESA-N	-1	0	287.323	0.992	20	30		CCEDRM
CCOC(=O)CNC(=O)c1cc(C#N)c(SC)[n-]c1=O	ZINC000340979661	389173782	/nfs/dbraw/zinc/17/37/82/389173782.db2.gz	FSNNUTJONUJLQF-UHFFFAOYSA-N	-1	0	295.320	0.674	20	30		CCEDRM
Cc1cn2c(ncc(/C([O-])=N/C[C@](C)(O)CO)c2=O)s1	ZINC000330614388	389246594	/nfs/dbraw/zinc/24/65/94/389246594.db2.gz	ARJFASPXCZMSIC-LBPRGKRZSA-N	-1	0	297.336	0.112	20	30		CCEDRM
C=CCC[C@H](NC(=O)CN1CSCC1=O)C(=O)[O-]	ZINC000262959500	389296521	/nfs/dbraw/zinc/29/65/21/389296521.db2.gz	ROQRKMBILWCRNW-QMMMGPOBSA-N	-1	0	272.326	0.055	20	30		CCEDRM
CC(C)CCN(CCC#N)C(=O)c1cn(C)c(=O)[nH]c1=O	ZINC000264072298	389304937	/nfs/dbraw/zinc/30/49/37/389304937.db2.gz	ODVGTAFPDFKPRZ-UHFFFAOYSA-N	-1	0	292.339	0.888	20	30		CCEDRM
C[C@H](CC#N)N(C)C(=O)c1c[nH]c2nc(=O)[n-]c(=O)c-2c1	ZINC000349363874	389412987	/nfs/dbraw/zinc/41/29/87/389412987.db2.gz	IBMQHDNBNMBHMH-SSDOTTSWSA-N	-1	0	287.279	0.810	20	30		CCEDRM
N#Cc1ccc(OCC(=O)NCC2(C(=O)[O-])CC2)cc1	ZINC000166949461	389443324	/nfs/dbraw/zinc/44/33/24/389443324.db2.gz	LURWEYIYBPHCEA-UHFFFAOYSA-N	-1	0	274.276	0.918	20	30		CCEDRM
CCOC(=O)c1[nH]c(=O)n(-c2cc(C)cc(C#N)c2)c1[O-]	ZINC000414379965	389613616	/nfs/dbraw/zinc/61/36/16/389613616.db2.gz	NPTCWCDNZLYUBO-LLVKDONJSA-N	-1	0	287.275	0.855	20	30		CCEDRM
C=CCCO[C@@H](C)C(=O)N(C)C[C@H](C)c1nnn[n-]1	ZINC000352472554	389816181	/nfs/dbraw/zinc/81/61/81/389816181.db2.gz	GVMWIVUIQXMPEN-UWVGGRQHSA-N	-1	0	267.333	0.743	20	30		CCEDRM
N#Cc1nnc2ccccc2c1NCCc1nc(=N)[n-]o1	ZINC000444074815	389889486	/nfs/dbraw/zinc/88/94/86/389889486.db2.gz	SZCNDCWMCUULND-UHFFFAOYSA-N	-1	0	281.279	0.952	20	30		CCEDRM
N#Cc1cnc(C(=O)NCCc2nc(=O)o[n-]2)c(Cl)c1	ZINC000447635801	389960569	/nfs/dbraw/zinc/96/05/69/389960569.db2.gz	GRYWCDJYPNIVJU-UHFFFAOYSA-N	-1	0	293.670	0.255	20	30		CCEDRM
C#CCN(CC#CC)S(=O)(=O)c1c[nH]c(C(=O)[O-])c1	ZINC000491662557	390115533	/nfs/dbraw/zinc/11/55/33/390115533.db2.gz	QKBVNXFRDPEFRS-UHFFFAOYSA-N	-1	0	280.305	0.360	20	30		CCEDRM
COc1cc(C#N)ccc1S(=O)(=O)NC1(C(=O)[O-])CC1	ZINC000579497518	390181341	/nfs/dbraw/zinc/18/13/41/390181341.db2.gz	OKNPNKMZDATKFP-UHFFFAOYSA-N	-1	0	296.304	0.462	20	30		CCEDRM
C=CCn1cc(C(=O)N2CCC[C@H](CC(=O)[O-])C2)nn1	ZINC000647727880	390148355	/nfs/dbraw/zinc/14/83/55/390148355.db2.gz	GLRPGBSGYUBYSS-SNVBAGLBSA-N	-1	0	278.312	0.791	20	30		CCEDRM
C=CCn1cc(C(=O)N2CCC[C@@H](CC(=O)[O-])C2)nn1	ZINC000647727879	390148615	/nfs/dbraw/zinc/14/86/15/390148615.db2.gz	GLRPGBSGYUBYSS-JTQLQIEISA-N	-1	0	278.312	0.791	20	30		CCEDRM
C=CCCO[C@H](C)C(=O)N[C@H](C(=O)[O-])c1ccnn1C	ZINC000647773723	390167571	/nfs/dbraw/zinc/16/75/71/390167571.db2.gz	FNUINRNZSMRKRR-KOLCDFICSA-N	-1	0	281.312	0.643	20	30		CCEDRM
C=C(C)[C@H]1OCC[C@H]1C(=O)N1CCC(O)(C(=O)[O-])CC1	ZINC000584532241	390353768	/nfs/dbraw/zinc/35/37/68/390353768.db2.gz	DTVIGTCQBGVJQD-GHMZBOCLSA-N	-1	0	283.324	0.406	20	30		CCEDRM
C=CCOC[C@H](NC(=O)NCc1cc(C)no1)C(=O)[O-]	ZINC000565342775	390504323	/nfs/dbraw/zinc/50/43/23/390504323.db2.gz	PWSGEWPABIVHNZ-JTQLQIEISA-N	-1	0	283.284	0.438	20	30		CCEDRM
CN(CCC#N)S(=O)(=O)NC[C@H]1CCC[C@H]1C(=O)[O-]	ZINC000514778961	390468588	/nfs/dbraw/zinc/46/85/88/390468588.db2.gz	UYZCVRIXPJXMMT-NXEZZACHSA-N	-1	0	289.357	0.167	20	30		CCEDRM
C=CCOC[C@H](NC(=O)NCc1ccco1)C(=O)[O-]	ZINC000514905761	390471080	/nfs/dbraw/zinc/47/10/80/390471080.db2.gz	VAXGYMJPAQPVED-JTQLQIEISA-N	-1	0	268.269	0.735	20	30		CCEDRM
C=CCCCS(=O)(=O)N[C@]1(CC(=O)[O-])CCOC1	ZINC000566117846	390581410	/nfs/dbraw/zinc/58/14/10/390581410.db2.gz	QOYHNVLEVAHYGF-NSHDSACASA-N	-1	0	277.342	0.506	20	30		CCEDRM
C=C(C)CS(=O)(=O)N[C@H](CC(F)F)C(=O)[O-]	ZINC000646047135	390584361	/nfs/dbraw/zinc/58/43/61/390584361.db2.gz	AHROBMPDOFNLID-ZCFIWIBFSA-N	-1	0	257.258	0.590	20	30		CCEDRM
C=CCOC[C@H](NC(=O)c1ccnn1CC(C)C)C(=O)[O-]	ZINC000520822142	390589278	/nfs/dbraw/zinc/58/92/78/390589278.db2.gz	DIRUDUSBNNVSMG-NSHDSACASA-N	-1	0	295.339	0.925	20	30		CCEDRM
C=CCn1cc(C(=O)N[C@@H](C)CCC(=O)[O-])nn1	ZINC000649247235	390536670	/nfs/dbraw/zinc/53/66/70/390536670.db2.gz	DCVLDCILGVLTIN-QMMMGPOBSA-N	-1	0	252.274	0.447	20	30		CCEDRM
C=CCn1cc(C(=O)N[C@@H](C(=O)[O-])[C@@H]2CCCOC2)nn1	ZINC000649248170	390537299	/nfs/dbraw/zinc/53/72/99/390537299.db2.gz	FOKCVYCUNZTZKH-MWLCHTKSSA-N	-1	0	294.311	0.074	20	30		CCEDRM
C=CCn1cc(C(=O)N2C[C@@H]3CCC[C@@H]3[C@H]2C(=O)[O-])nn1	ZINC000649249939	390537318	/nfs/dbraw/zinc/53/73/18/390537318.db2.gz	WKMGNWZPGZSJLO-NHCYSSNCSA-N	-1	0	290.323	0.789	20	30		CCEDRM
C=CCn1cc(C(=O)N[C@H](C(=O)[O-])[C@H]2CCCOC2)nn1	ZINC000649248171	390537554	/nfs/dbraw/zinc/53/75/54/390537554.db2.gz	FOKCVYCUNZTZKH-ONGXEEELSA-N	-1	0	294.311	0.074	20	30		CCEDRM
C=CC[C@H](CO)CNC(=O)N[C@@H]1CC[C@H](C(=O)[O-])C1	ZINC000646176553	390624445	/nfs/dbraw/zinc/62/44/45/390624445.db2.gz	CSBKNVOWZIMSRP-GARJFASQSA-N	-1	0	270.329	0.724	20	30		CCEDRM
C=C(C)[C@@H]1OCC[C@H]1CNc1ccc(C(=O)[O-])nn1	ZINC000566799755	390649651	/nfs/dbraw/zinc/64/96/51/390649651.db2.gz	LVGNJQYKIHCKFZ-CABZTGNLSA-N	-1	0	263.297	0.990	20	30		CCEDRM
CC(C)CN(CC(=O)[O-])S(=O)(=O)N(C)[C@H](C)CC#N	ZINC000570215236	390718296	/nfs/dbraw/zinc/71/82/96/390718296.db2.gz	DUWKMDLOZLLENF-SNVBAGLBSA-N	-1	0	291.373	0.508	20	30		CCEDRM
C=CCOC[C@@H](NC(=O)NC[C@H]1CCCS1)C(=O)[O-]	ZINC000570780356	390719306	/nfs/dbraw/zinc/71/93/06/390719306.db2.gz	FAVYBEKTQZTQCI-NXEZZACHSA-N	-1	0	288.369	0.837	20	30		CCEDRM
Cc1cncn1CC(=O)C(C#N)=C([O-])c1nccn1C	ZINC000528967677	390786014	/nfs/dbraw/zinc/78/60/14/390786014.db2.gz	CWBGQJIWBZWACU-JTQLQIEISA-N	-1	0	271.280	0.517	20	30		CCEDRM
COc1ccc(=NC(=O)N[C@H](C)CN2CCCC2=O)[n-]n1	ZINC000329129022	533252514	/nfs/dbraw/zinc/25/25/14/533252514.db2.gz	NRXQBSYQRXXATM-SECBINFHSA-N	-1	0	293.327	0.244	20	30		CCEDRM
COC(=O)[C@H](CF)[N-]S(=O)(=O)CC1(C#N)CCCC1	ZINC000344982138	533268497	/nfs/dbraw/zinc/26/84/97/533268497.db2.gz	GEPRZQACFILZIH-VIFPVBQESA-N	-1	0	292.332	0.501	20	30		CCEDRM
C=CCCO[C@H](C)C(=O)N1C[C@@H](C)O[C@@H](C(=O)[O-])C1	ZINC000262184348	131198087	/nfs/dbraw/zinc/19/80/87/131198087.db2.gz	GYBHRTLGJRDEPK-GMTAPVOTSA-N	-1	0	271.313	0.668	20	30		CCEDRM
C=CCCO[C@H](C)C(=O)N1CC[C@@](COC)(C(=O)[O-])C1	ZINC000263019290	131279356	/nfs/dbraw/zinc/27/93/56/131279356.db2.gz	NSZSETPFVFDCNL-BXUZGUMPSA-N	-1	0	285.340	0.917	20	30		CCEDRM
CCCc1n[n-]c(=NC(=O)NC[C@]2(O)CCOC2)s1	ZINC000330461915	397452121	/nfs/dbraw/zinc/45/21/21/397452121.db2.gz	XRDXAPKXQAZXNO-LLVKDONJSA-N	-1	0	286.357	0.390	20	30		CCEDRM
N#Cc1cc(C(=O)Nc2ccc(-n3nn[n-]c3=O)cc2)c[nH]1	ZINC000356970718	144047033	/nfs/dbraw/zinc/04/70/33/144047033.db2.gz	CAQVMSJAKGSJPS-UHFFFAOYSA-N	-1	0	295.262	0.820	20	30		CCEDRM
CCC(=O)N1CCC[C@@H](C(=O)N=c2[nH][n-]c(C)c2C#N)C1	ZINC000357233853	144071385	/nfs/dbraw/zinc/07/13/85/144071385.db2.gz	RGLQLVGQBMWIDA-SNVBAGLBSA-N	-1	0	289.339	0.599	20	30		CCEDRM
Cc1ccc(S(=O)(=O)[N-]c2nn(C)cc2C#N)o1	ZINC000358533614	144159774	/nfs/dbraw/zinc/15/97/74/144159774.db2.gz	YHTDJMMQENKXMH-UHFFFAOYSA-N	-1	0	266.282	0.994	20	30		CCEDRM
C[C@@H]1C[C@@H](C(=O)[N-]S(=O)(=O)c2cccc(C#N)c2)CO1	ZINC000408488997	144476922	/nfs/dbraw/zinc/47/69/22/144476922.db2.gz	OUZYYGGAIRCNIS-MWLCHTKSSA-N	-1	0	294.332	0.788	20	30		CCEDRM
C=C[C@H](CCC(=O)[O-])NS(=O)(=O)[C@@H]1CCO[C@H]1C	ZINC000650421393	397718017	/nfs/dbraw/zinc/71/80/17/397718017.db2.gz	BAGQMXMJHMQICY-IVZWLZJFSA-N	-1	0	277.342	0.503	20	30		CCEDRM
C=CCn1cc(C(=O)N(C)[C@H]2C[C@@H](C(=O)[O-])C2)nn1	ZINC000659231030	413348052	/nfs/dbraw/zinc/34/80/52/413348052.db2.gz	CWYKHMIIUYGOBN-DTORHVGOSA-N	-1	0	264.285	0.399	20	30		CCEDRM
C=CCOC[C@H](NC(=O)Cc1ccn(CC)n1)C(=O)[O-]	ZINC000652071510	411985049	/nfs/dbraw/zinc/98/50/49/411985049.db2.gz	YPCCHPQRZVZKQB-NSHDSACASA-N	-1	0	281.312	0.218	20	30		CCEDRM
C[C@H](C(=O)N(C)C)S(=O)(=O)[N-]c1ccc(F)cc1C#N	ZINC000284663499	196107368	/nfs/dbraw/zinc/10/73/68/196107368.db2.gz	FBNFEGNOTQRVRI-MRVPVSSYSA-N	-1	0	299.327	0.916	20	30		CCEDRM
N#Cc1ccccc1CS(=O)(=O)N1CCC[C@H]1C(=O)[O-]	ZINC000021012951	171288401	/nfs/dbraw/zinc/28/84/01/171288401.db2.gz	QBTHZWBRRZYFSQ-LBPRGKRZSA-N	-1	0	294.332	0.937	20	30		CCEDRM
C=CCN(CC(=O)[O-])S(=O)(=O)c1ccccc1	ZINC000025494075	171458952	/nfs/dbraw/zinc/45/89/52/171458952.db2.gz	ZJGNAEPTAKCJPX-UHFFFAOYSA-N	-1	0	255.295	0.948	20	30		CCEDRM
C=CCCO[C@@H](C)C(=O)N1C[C@@H]2COC[C@]2(C(=O)[O-])C1	ZINC000659779252	413870596	/nfs/dbraw/zinc/87/05/96/413870596.db2.gz	KNMKGPVASKLMFB-MISXGVKJSA-N	-1	0	283.324	0.527	20	30		CCEDRM
C=CCn1cc(C(=O)NC[C@H](C(=O)[O-])C2CCC2)nn1	ZINC000663153956	415010247	/nfs/dbraw/zinc/01/02/47/415010247.db2.gz	QRDIOAHNICXFAZ-JTQLQIEISA-N	-1	0	278.312	0.695	20	30		CCEDRM
C=CCCCNC(=O)C(=O)NC[C@@H](C(=O)[O-])C1CCC1	ZINC000663625050	415096799	/nfs/dbraw/zinc/09/67/99/415096799.db2.gz	QHFZRWDKWMFOHS-LLVKDONJSA-N	-1	0	282.340	0.686	20	30		CCEDRM
C=CC[C@H](CO)CNC(=O)NC[C@@H](C(=O)[O-])C1CCC1	ZINC000665322322	415600847	/nfs/dbraw/zinc/60/08/47/415600847.db2.gz	BNTZBMDAXZALJQ-CMPLNLGQSA-N	-1	0	284.356	0.971	20	30		CCEDRM
Cc1ccc(C#N)cc1S(=O)(=O)N(C)[C@H](C)C(=O)[O-]	ZINC000070430398	175925253	/nfs/dbraw/zinc/92/52/53/175925253.db2.gz	AUXOGSSSLIOJIJ-SECBINFHSA-N	-1	0	282.321	0.960	20	30		CCEDRM
N#CCCn1ccc([N-]S(=O)(=O)c2c[nH]cn2)n1	ZINC000346685400	225862078	/nfs/dbraw/zinc/86/20/78/225862078.db2.gz	QJRXEXPPCKHKQD-UHFFFAOYSA-N	-1	0	266.286	0.321	20	30		CCEDRM
COCC1(NC(=O)N=c2ccc(OC)n[n-]2)CCC1	ZINC000329131681	227317789	/nfs/dbraw/zinc/31/77/89/227317789.db2.gz	OXNNBLZLVUNZJQ-UHFFFAOYSA-N	-1	0	266.301	0.802	20	30		CCEDRM
O=C(N=c1cn[n-]s1)N[C@@H](CO)C1CCOCC1	ZINC000330266442	228085221	/nfs/dbraw/zinc/08/52/21/228085221.db2.gz	PYEIJSAPLCYGPQ-QMMMGPOBSA-N	-1	0	272.330	0.652	20	30		CCEDRM
C=C(C)CN(C)S(=O)(=O)c1c[nH]c(C(=O)[O-])c1	ZINC000135288198	544635064	/nfs/dbraw/zinc/63/50/64/544635064.db2.gz	IVUXIOHOZJOXHN-UHFFFAOYSA-N	-1	0	258.299	0.910	20	30		CCEDRM
CC(C)(C(=O)NCc1n[nH]c(=O)[n-]1)N1CCOCC1	ZINC000328676886	545018513	/nfs/dbraw/zinc/01/85/13/545018513.db2.gz	LSDRLKTUGYTPJC-UHFFFAOYSA-N	-1	0	269.305	0.078	20	30		CCEDRM
CCNC(=O)[C@@H](C)/N=C(/[O-])Nc1cccn(C)c1=O	ZINC000331256926	264183057	/nfs/dbraw/zinc/18/30/57/264183057.db2.gz	WWOVFGATCJUSRO-MRVPVSSYSA-N	-1	0	266.301	0.236	20	30		CCEDRM
C=C[C@@H](CO)NC(=O)c1cc([O-])ccc1[N+](=O)[O-]	ZINC000356865354	266197814	/nfs/dbraw/zinc/19/78/14/266197814.db2.gz	VQILYONONVITGT-ZETCQYMHSA-N	-1	0	252.226	0.577	20	30		CCEDRM
C=CCN(CCOC)C(=O)N=c1[n-]nc2ccccn21	ZINC000361876015	266898601	/nfs/dbraw/zinc/89/86/01/266898601.db2.gz	BQJIQHBVAUNVOV-UHFFFAOYSA-N	-1	0	275.312	0.818	20	30		CCEDRM
CC#CC[C@H](NS(=O)(=O)N1CCCC[C@@H]1C)C(=O)[O-]	ZINC000275085936	277928247	/nfs/dbraw/zinc/92/82/47/277928247.db2.gz	ZRIOZAVIJDAKBP-QWRGUYRKSA-N	-1	0	288.369	0.562	20	30		CCEDRM
CC1(C)C[C@]1(C#N)NC(=O)c1c[n-]n2c1nccc2=O	ZINC000333009641	281368408	/nfs/dbraw/zinc/36/84/08/281368408.db2.gz	NJQKSFKMABNCFE-CYBMUJFWSA-N	-1	0	271.280	0.445	20	30		CCEDRM
N#Cc1cc(F)ccc1N1CCS(=O)(=O)[C@H](C(=O)[O-])C1	ZINC000424468646	303183316	/nfs/dbraw/zinc/18/33/16/303183316.db2.gz	JYHCQRNKZHSZLE-NSHDSACASA-N	-1	0	298.295	0.385	20	30		CCEDRM
COCC[C@@H](NS(=O)(=O)CC1(CC#N)CC1)C(=O)[O-]	ZINC000563224611	327981122	/nfs/dbraw/zinc/98/11/22/327981122.db2.gz	AFRNFNVPMWNHIB-SECBINFHSA-N	-1	0	290.341	0.089	20	30		CCEDRM
C=CCOC[C@@H](NC(=O)N[C@H](C)CSC)C(=O)[O-]	ZINC000557655373	327019690	/nfs/dbraw/zinc/01/96/90/327019690.db2.gz	NFXVGJQAJXJSSM-RKDXNWHRSA-N	-1	0	276.358	0.693	20	30		CCEDRM
C=CCS(=O)(=O)[N-]C(=O)[C@H]1CCCC[C@@H]1OC	ZINC000408130830	327104773	/nfs/dbraw/zinc/10/47/73/327104773.db2.gz	FLIQDSVCYYSDJW-UWVGGRQHSA-N	-1	0	261.343	0.824	20	30		CCEDRM
C=CCC1(C(=O)NCCc2n[n-]c(=N)o2)CCC1	ZINC000560663118	327334619	/nfs/dbraw/zinc/33/46/19/327334619.db2.gz	GFSQKDXEWYCCSH-UHFFFAOYSA-N	-1	0	250.302	0.887	20	30		CCEDRM
CNS(=O)(=O)c1cc(NC(=O)[C@@H](C)C#N)ccc1[O-]	ZINC000357338986	328869510	/nfs/dbraw/zinc/86/95/10/328869510.db2.gz	QWGIWVRWSTYDQA-ZETCQYMHSA-N	-1	0	283.309	0.398	20	30		CCEDRM
C[C@@]1(C(=O)[O-])CCCCN1S(=O)(=O)CC1(C#N)CC1	ZINC000584448987	329484110	/nfs/dbraw/zinc/48/41/10/329484110.db2.gz	ONQKTTZPQNXUBZ-NSHDSACASA-N	-1	0	286.353	0.949	20	30		CCEDRM
C=CCCCNC(=O)C(=O)N1CCC[C@H](C(=O)[O-])C1	ZINC000420567566	329774890	/nfs/dbraw/zinc/77/48/90/329774890.db2.gz	TVLYKBZBKDFVPK-JTQLQIEISA-N	-1	0	268.313	0.392	20	30		CCEDRM
C=CCOC[C@H](NC(=O)NCC1CCC1)C(=O)[O-]	ZINC000571751359	329917528	/nfs/dbraw/zinc/91/75/28/329917528.db2.gz	AIPCSHFNQFMXHF-JTQLQIEISA-N	-1	0	256.302	0.742	20	30		CCEDRM
COCC[C@H](NC(=O)c1ccc(CC#N)cc1)C(=O)[O-]	ZINC000262350680	330007412	/nfs/dbraw/zinc/00/74/12/330007412.db2.gz	YTQXNRZJRSMBQA-LBPRGKRZSA-N	-1	0	276.292	0.972	20	30		CCEDRM
C=CCOC[C@H](NC(=O)CCc1ccoc1)C(=O)[O-]	ZINC000262914084	330037016	/nfs/dbraw/zinc/03/70/16/330037016.db2.gz	FQKLTOGGYFMUQJ-NSHDSACASA-N	-1	0	267.281	0.984	20	30		CCEDRM
C=CCOC[C@@H](NC(=O)COCC1CC1)C(=O)[O-]	ZINC000263028494	330039544	/nfs/dbraw/zinc/03/95/44/330039544.db2.gz	OIIPQPUJWDVBDN-SNVBAGLBSA-N	-1	0	257.286	0.185	20	30		CCEDRM
C=CCCS(=O)(=O)N1C[C@H](C)C[C@@H](C(=O)[O-])C1	ZINC000263252587	330050605	/nfs/dbraw/zinc/05/06/05/330050605.db2.gz	TUCWMOTZQQBYMU-NXEZZACHSA-N	-1	0	261.343	0.935	20	30		CCEDRM
CCCC[C@H](NS(=O)(=O)N(C)C[C@H](C)C#N)C(=O)[O-]	ZINC000263454462	330056690	/nfs/dbraw/zinc/05/66/90/330056690.db2.gz	BOILAXJUKYKDHQ-ZJUUUORDSA-N	-1	0	291.373	0.556	20	30		CCEDRM
N#CCC1(CS(=O)(=O)N2CCC[C@H](C(=O)[O-])C2)CC1	ZINC000263480380	330057418	/nfs/dbraw/zinc/05/74/18/330057418.db2.gz	KQMGZQRHWVLJKR-JTQLQIEISA-N	-1	0	286.353	0.807	20	30		CCEDRM
CC(C)C[C@H](NS(=O)(=O)N(C)[C@H](C)CC#N)C(=O)[O-]	ZINC000263540917	330059153	/nfs/dbraw/zinc/05/91/53/330059153.db2.gz	CRUPXTNMNSZVJQ-ZJUUUORDSA-N	-1	0	291.373	0.554	20	30		CCEDRM
C=CCN(C)C(=O)C(=O)N1C[C@@H]2CCC[C@@]2(C(=O)[O-])C1	ZINC000422737797	330152723	/nfs/dbraw/zinc/15/27/23/330152723.db2.gz	HSOLAILLWJLUHJ-IINYFYTJSA-N	-1	0	280.324	0.344	20	30		CCEDRM
C=C[C@H]1CCCCN1C(=O)C(=O)N1CCC[C@@H](C(=O)[O-])C1	ZINC000422913453	330160407	/nfs/dbraw/zinc/16/04/07/330160407.db2.gz	YKKSTFXBLIREQT-NEPJUHHUSA-N	-1	0	294.351	0.877	20	30		CCEDRM
CC#CCNC(=O)N=c1ncn(Cc2ccccc2)[n-]1	ZINC000527206752	330236742	/nfs/dbraw/zinc/23/67/42/330236742.db2.gz	XYNXTXRGUFNREC-UHFFFAOYSA-N	-1	0	269.308	0.893	20	30		CCEDRM
C[C@H]1CN(S(=O)(=O)N(C)CCC#N)CC[C@H]1C(=O)[O-]	ZINC000527484463	330249076	/nfs/dbraw/zinc/24/90/76/330249076.db2.gz	BNWVJCUMFMFPSG-VHSXEESVSA-N	-1	0	289.357	0.119	20	30		CCEDRM
C=CCCn1cc(C(=O)N[C@@H](C)CC(=O)[O-])nn1	ZINC000424228789	330330773	/nfs/dbraw/zinc/33/07/73/330330773.db2.gz	UWWXTLMQUWDDIO-QMMMGPOBSA-N	-1	0	252.274	0.447	20	30		CCEDRM
C=CCCn1cc(C(=O)N(C)[C@@H](C)C(=O)[O-])nn1	ZINC000424229353	330330803	/nfs/dbraw/zinc/33/08/03/330330803.db2.gz	WZDMDKRCBMMQSN-QMMMGPOBSA-N	-1	0	252.274	0.399	20	30		CCEDRM
CC#CCCNC(=O)C(=O)NC[C@H](CC(C)C)C(=O)[O-]	ZINC000424493737	330357356	/nfs/dbraw/zinc/35/73/56/330357356.db2.gz	ONYKUDDMMLARAG-NSHDSACASA-N	-1	0	282.340	0.379	20	30		CCEDRM
C=CCNC(=O)CNC(=O)c1ccc([N+](=O)[O-])cc1[O-]	ZINC000119031302	330368885	/nfs/dbraw/zinc/36/88/85/330368885.db2.gz	NGJBICMALCSPDE-UHFFFAOYSA-N	-1	0	279.252	0.332	20	30		CCEDRM
CCN(C[C@@H](C)C#N)S(=O)(=O)N(C)CCC(=O)[O-]	ZINC000088769709	330378621	/nfs/dbraw/zinc/37/86/21/330378621.db2.gz	HAZORIXMLCBZKH-VIFPVBQESA-N	-1	0	277.346	0.119	20	30		CCEDRM
C=CCn1cccc1C(=O)NC1(c2nnn[n-]2)CC1	ZINC000489568187	332059592	/nfs/dbraw/zinc/05/95/92/332059592.db2.gz	AQLXSFJSJYPYSI-UHFFFAOYSA-N	-1	0	258.285	0.606	20	30		CCEDRM
C#CCN(CC#CC)C(=O)c1ccc(C(=O)[O-])cn1	ZINC000491638706	332259072	/nfs/dbraw/zinc/25/90/72/332259072.db2.gz	ZQFMTJBCZGJUOO-UHFFFAOYSA-N	-1	0	256.261	0.879	20	30		CCEDRM
C#CCN(Cc1ccccc1)C(=O)c1cnc([O-])n(C)c1=O	ZINC000491726068	332309963	/nfs/dbraw/zinc/30/99/63/332309963.db2.gz	ISYYSJFKIVFZHL-UHFFFAOYSA-N	-1	0	297.314	0.762	20	30		CCEDRM
CC(C)(C#N)CS(=O)(=O)[N-]C(=O)/C=C\C1CC1	ZINC000492368461	332394445	/nfs/dbraw/zinc/39/44/45/332394445.db2.gz	SDHDRSOMCLQINI-WAYWQWQTSA-N	-1	0	256.327	0.948	20	30		CCEDRM
N#CC1(CS(=O)(=O)[N-]C(=O)/C=C/c2cccnc2)CC1	ZINC000493714521	332450924	/nfs/dbraw/zinc/45/09/24/332450924.db2.gz	ZJQAYWLXPMNCFK-ONEGZZNKSA-N	-1	0	291.332	0.845	20	30		CCEDRM
CON=CC(=O)[N-]OC[C@H](C)NC(=O)OC(C)(C)C	ZINC000496876685	332562985	/nfs/dbraw/zinc/56/29/85/332562985.db2.gz	RXNOUSOXQHXAAE-QMMMGPOBSA-N	-1	0	275.305	0.580	20	30		CCEDRM
COC(=O)CN(CC#N)Cc1nc(=O)c2sccc2[n-]1	ZINC000174565114	333002419	/nfs/dbraw/zinc/00/24/19/333002419.db2.gz	KXPHMJYOGBHHSO-UHFFFAOYSA-N	-1	0	292.320	0.483	20	30		CCEDRM
C#CCN(CC#N)S(=O)(=O)c1ccc(C)c(C(=O)[O-])c1	ZINC000312154216	333077649	/nfs/dbraw/zinc/07/76/49/333077649.db2.gz	APFCUUPABCLJRA-UHFFFAOYSA-N	-1	0	292.316	0.841	20	30		CCEDRM
C=C(C)CS(=O)(=O)N1C[C@H](C)O[C@H](C)[C@@H]1C(=O)[O-]	ZINC000575926866	335132187	/nfs/dbraw/zinc/13/21/87/335132187.db2.gz	LLTYVWOSNKIYQO-IVZWLZJFSA-N	-1	0	277.342	0.455	20	30		CCEDRM
C=C(C)CS(=O)(=O)N1C[C@H](C)O[C@@H](C)[C@H]1C(=O)[O-]	ZINC000575926865	335132113	/nfs/dbraw/zinc/13/21/13/335132113.db2.gz	LLTYVWOSNKIYQO-GUBZILKMSA-N	-1	0	277.342	0.455	20	30		CCEDRM
CC(=O)Nc1cc(C([O-])=C(C#N)C(=O)NC(C)C)ccn1	ZINC000528917300	333464645	/nfs/dbraw/zinc/46/46/45/333464645.db2.gz	HHYQVZQECFTOPF-LLVKDONJSA-N	-1	0	288.307	0.887	20	30		CCEDRM
CN(CCC#N)S(=O)(=O)N[C@H](C(=O)[O-])C(C)(C)C	ZINC000548240710	334146907	/nfs/dbraw/zinc/14/69/07/334146907.db2.gz	GCOAKRGALLEDMB-MRVPVSSYSA-N	-1	0	277.346	0.166	20	30		CCEDRM
CN(CCC#N)S(=O)(=O)N[C@@H](C(=O)[O-])C(C)(C)C	ZINC000548528609	334162379	/nfs/dbraw/zinc/16/23/79/334162379.db2.gz	GCOAKRGALLEDMB-QMMMGPOBSA-N	-1	0	277.346	0.166	20	30		CCEDRM
C[C@@H](CC(=O)[O-])N(CCO)S(=O)(=O)CCCCC#N	ZINC000548561742	334162676	/nfs/dbraw/zinc/16/26/76/334162676.db2.gz	XPGRDKXBFVZOEK-JTQLQIEISA-N	-1	0	292.357	0.168	20	30		CCEDRM
CC[C@@H](CNS(=O)(=O)N(C)CCC#N)CC(=O)[O-]	ZINC000548596020	334163224	/nfs/dbraw/zinc/16/32/24/334163224.db2.gz	BMFZGIJBHBCWDC-SECBINFHSA-N	-1	0	277.346	0.167	20	30		CCEDRM
N#CC1(CS(=O)(=O)NC2(C(=O)[O-])CC2)CCCCC1	ZINC000548838243	334175817	/nfs/dbraw/zinc/17/58/17/334175817.db2.gz	WPFCPQPEBAKBQI-UHFFFAOYSA-N	-1	0	286.353	0.997	20	30		CCEDRM
C=CCC[C@H](NC(=O)c1cc(COC)on1)C(=O)[O-]	ZINC000263009220	334583369	/nfs/dbraw/zinc/58/33/69/334583369.db2.gz	XATFNTOOZGWQDL-VIFPVBQESA-N	-1	0	268.269	0.970	20	30		CCEDRM
C=CCOC[C@@H](NS(=O)(=O)CCC(C)C)C(=O)[O-]	ZINC000567468629	334722886	/nfs/dbraw/zinc/72/28/86/334722886.db2.gz	YZIPCJTVKRUSEY-SNVBAGLBSA-N	-1	0	279.358	0.608	20	30		CCEDRM
C[C@@H](C(=O)[O-])C1CN(S(=O)(=O)c2ccccc2C#N)C1	ZINC000165144060	334892466	/nfs/dbraw/zinc/89/24/66/334892466.db2.gz	DTSVAUHUJLSZQL-SECBINFHSA-N	-1	0	294.332	0.899	20	30		CCEDRM
CC(C)N([C@@H](C)C(=O)[O-])S(=O)(=O)c1cncc(C#N)c1	ZINC000573259805	334922411	/nfs/dbraw/zinc/92/24/11/334922411.db2.gz	OZJBPWOVYONKBN-VIFPVBQESA-N	-1	0	297.336	0.825	20	30		CCEDRM
N#CCC1(CS(=O)(=O)N[C@H]2C=C[C@H](C(=O)[O-])C2)CC1	ZINC000577066757	335294711	/nfs/dbraw/zinc/29/47/11/335294711.db2.gz	NAAXJIJRDVDSIY-UWVGGRQHSA-N	-1	0	284.337	0.629	20	30		CCEDRM
C=C[C@@H](CCC(=O)[O-])NS(=O)(=O)CCCF	ZINC000577198426	335321281	/nfs/dbraw/zinc/32/12/81/335321281.db2.gz	DDVVHMZWERLXBF-QMMMGPOBSA-N	-1	0	253.295	0.685	20	30		CCEDRM
Cc1cc(C)n2[n-]c(=NC(=O)N3CC(C)(C#N)C3)nc2n1	ZINC000578414683	335631287	/nfs/dbraw/zinc/63/12/87/335631287.db2.gz	FLXZKSMFHZYPLF-UHFFFAOYSA-N	-1	0	285.311	0.540	20	30		CCEDRM
C[C@@H](C(=O)[O-])C1CN(S(=O)(=O)c2cncc(C#N)c2)C1	ZINC000380877678	336038001	/nfs/dbraw/zinc/03/80/01/336038001.db2.gz	SUGZOVRXAZKMHN-MRVPVSSYSA-N	-1	0	295.320	0.294	20	30		CCEDRM
C=CCCC(=O)N(C)CC(=O)N1CCC(C(=O)[O-])CC1	ZINC000237300932	534600746	/nfs/dbraw/zinc/60/07/46/534600746.db2.gz	OVDKTNUPTZMLIG-UHFFFAOYSA-N	-1	0	282.340	0.734	20	30		CCEDRM
Cc1cc(S(=O)(=O)NCC(=O)[O-])ccc1C#N	ZINC000145956621	525406798	/nfs/dbraw/zinc/40/67/98/525406798.db2.gz	MKNMIJZJUQWNTI-UHFFFAOYSA-N	-1	0	254.267	0.230	20	30		CCEDRM
C=C(C)[C@H](CC(=O)NCCc1n[n-]c(=N)o1)OCC	ZINC000355025218	526813411	/nfs/dbraw/zinc/81/34/11/526813411.db2.gz	AZJGSNYXQUGPLG-VIFPVBQESA-N	-1	0	268.317	0.512	20	30		CCEDRM
C=CCC(CC=C)C(=O)NCCc1n[n-]c(=N)o1	ZINC000355026883	527028532	/nfs/dbraw/zinc/02/85/32/527028532.db2.gz	YDRPSGPGJQLBOT-UHFFFAOYSA-N	-1	0	250.302	0.909	20	30		CCEDRM
C=CCOC[C@H](NC(=O)[C@@H](OC)C1CC1)C(=O)[O-]	ZINC000668290193	545171448	/nfs/dbraw/zinc/17/14/48/545171448.db2.gz	LWMPAZRBTJBXAC-UWVGGRQHSA-N	-1	0	257.286	0.183	20	30		CCEDRM
C=C[C@H](CO)NC(=O)N=c1nc([C@H](C)OC)[n-]s1	ZINC000350638321	527583909	/nfs/dbraw/zinc/58/39/09/527583909.db2.gz	LUQSLCYGNUNRGV-NKWVEPMBSA-N	-1	0	272.330	0.336	20	30		CCEDRM
C=CCOCCCC(=O)N(C)Cc1n[n-]c(=O)o1	ZINC000673478454	545284257	/nfs/dbraw/zinc/28/42/57/545284257.db2.gz	NANAJBZUJAQHNC-UHFFFAOYSA-N	-1	0	255.274	0.716	20	30		CCEDRM
CCC[C@H](NS(=O)(=O)c1cncc(C#N)c1)C(=O)[O-]	ZINC000261580528	535706566	/nfs/dbraw/zinc/70/65/66/535706566.db2.gz	FNXCMHSDVJXUST-JTQLQIEISA-N	-1	0	283.309	0.485	20	30		CCEDRM
CCO[N-]C(=O)[C@@H](C)NS(=O)(=O)c1cccc(C#N)c1	ZINC000268701339	535725643	/nfs/dbraw/zinc/72/56/43/535725643.db2.gz	AEDVNYDVFLKVMJ-SECBINFHSA-N	-1	0	297.336	0.293	20	30		CCEDRM
C=CCCOCC(=O)N1CCSC[C@H]1CC(=O)[O-]	ZINC000678981329	545400630	/nfs/dbraw/zinc/40/06/30/545400630.db2.gz	SNYGRGPYWIFOFP-SNVBAGLBSA-N	-1	0	273.354	0.998	20	30		CCEDRM
Cn1cc(C(=O)[N-]S(=O)(=O)CC2(C#N)CCCC2)cn1	ZINC000779320833	581108076	/nfs/dbraw/zinc/10/80/76/581108076.db2.gz	FBSXGMSNUZLGEQ-UHFFFAOYSA-N	-1	0	296.352	0.564	20	30		CCEDRM
C[C@@H](NC(=O)[O-])C(=O)Nc1ccn(CCC#N)n1	ZINC000738993572	581114768	/nfs/dbraw/zinc/11/47/68/581114768.db2.gz	CXTZQMRFRXATCW-SSDOTTSWSA-N	-1	0	251.246	0.391	20	30		CCEDRM
N#C[C@@H]1CN(C(=O)c2cccc(OCC(=O)[O-])c2)CCO1	ZINC000739070378	581166567	/nfs/dbraw/zinc/16/65/67/581166567.db2.gz	ZOQVTRBOSXYZGQ-GFCCVEGCSA-N	-1	0	290.275	0.515	20	30		CCEDRM
C#CCOCCNC(=O)[C@@H]([N-]C(=O)C(F)(F)F)C(C)C	ZINC000790020948	581172111	/nfs/dbraw/zinc/17/21/11/581172111.db2.gz	QQZWNAWVBOWBNL-VIFPVBQESA-N	-1	0	294.273	0.456	20	30		CCEDRM
Cc1nnc(NN=Cc2cn(C(C)(C)C)nn2)[n-]c1=O	ZINC000790149047	581178547	/nfs/dbraw/zinc/17/85/47/581178547.db2.gz	SFENMMNJLGIVGA-UHFFFAOYSA-N	-1	0	276.304	0.678	20	30		CCEDRM
Cc1ccc[nH+]c1[N-]N=Cc1cn(CC(=O)[O-])nn1	ZINC000790192944	581179498	/nfs/dbraw/zinc/17/94/98/581179498.db2.gz	KYPICBFMTLXCHT-UHFFFAOYSA-N	-1	0	260.257	0.512	20	30		CCEDRM
C#CCOCCC(=O)[N-]S(=O)(=O)CC1(C#N)CCCC1	ZINC000779322084	581180770	/nfs/dbraw/zinc/18/07/70/581180770.db2.gz	ZUNQFJIZCJPZEM-UHFFFAOYSA-N	-1	0	298.364	0.556	20	30		CCEDRM
C[C@@H]1CN(c2nccnc2C#N)C[C@@H](C)N1C(=O)[O-]	ZINC000739196036	581200941	/nfs/dbraw/zinc/20/09/41/581200941.db2.gz	FDQIQHZTXOKBBZ-RKDXNWHRSA-N	-1	0	261.285	0.925	20	30		CCEDRM
C[C@@H]1CN=C(NN=Cc2cc(F)c([O-])c(F)c2)N1	ZINC000779794267	581205617	/nfs/dbraw/zinc/20/56/17/581205617.db2.gz	FRMDNRDPUWMYNB-ZCFIWIBFSA-N	-1	0	254.240	0.942	20	30		CCEDRM
CC(=NNC1=NC[C@H](C)N1)c1ccc([O-])c([N+](=O)[O-])c1	ZINC000779797095	581206010	/nfs/dbraw/zinc/20/60/10/581206010.db2.gz	ACQDAKBRYFDOSR-ZETCQYMHSA-N	-1	0	277.284	0.962	20	30		CCEDRM
C#CCCS(=O)(=O)[N-]C(=O)c1csnc1C	ZINC000791109466	581207485	/nfs/dbraw/zinc/20/74/85/581207485.db2.gz	RQNWCYZEWFGPLP-UHFFFAOYSA-N	-1	0	258.324	0.534	20	30		CCEDRM
O=C([O-])[C@@H]1COCCN1C(=O)NCC#Cc1ccccc1	ZINC000780364962	581226088	/nfs/dbraw/zinc/22/60/88/581226088.db2.gz	JCZHWYMMWYOILI-ZDUSSCGKSA-N	-1	0	288.303	0.533	20	30		CCEDRM
C=CCC1(C(=O)[N-]S(=O)(=O)c2cnnn2C)CCC1	ZINC000791887909	581238922	/nfs/dbraw/zinc/23/89/22/581238922.db2.gz	RIBMRIHDFIWLIP-UHFFFAOYSA-N	-1	0	284.341	0.366	20	30		CCEDRM
Nc1ncc(C=Nn2c(=S)[n-]nc2C(F)(F)F)cn1	ZINC000781579614	581272422	/nfs/dbraw/zinc/27/24/22/581272422.db2.gz	BNINAJIFKMTWPA-UHFFFAOYSA-N	-1	0	289.246	0.840	20	30		CCEDRM
C=C(C)C[C@@H](C)C(=O)[N-]S(=O)(=O)c1cnnn1C	ZINC000781733005	581275965	/nfs/dbraw/zinc/27/59/65/581275965.db2.gz	WJLROIKYAGADCW-MRVPVSSYSA-N	-1	0	272.330	0.222	20	30		CCEDRM
CC[C@@H](NN=Cc1ccc(C(=O)NC)cc1)C(=O)[O-]	ZINC000793055664	581282068	/nfs/dbraw/zinc/28/20/68/581282068.db2.gz	NWOHRSMLUOTZOK-LLVKDONJSA-N	-1	0	263.297	0.833	20	30		CCEDRM
N#CC1(CS(=O)(=O)[N-]C(=O)C=C2CCC2)CC1	ZINC000793195507	581287826	/nfs/dbraw/zinc/28/78/26/581287826.db2.gz	MDWIHIBIQJGEHK-UHFFFAOYSA-N	-1	0	254.311	0.846	20	30		CCEDRM
CS[C@@H](C)C(=O)[N-]S(=O)(=O)CC1(C#N)CC1	ZINC000793203044	581288187	/nfs/dbraw/zinc/28/81/87/581288187.db2.gz	GEXWYXIZDKDYTD-ZETCQYMHSA-N	-1	0	262.356	0.488	20	30		CCEDRM
N#Cc1cc(F)c(C(=O)[N-]N2CN=NC2=O)c(F)c1	ZINC000782123887	581288233	/nfs/dbraw/zinc/28/82/33/581288233.db2.gz	PESHLHMZBSYHNK-UHFFFAOYSA-N	-1	0	265.179	0.517	20	30		CCEDRM
N#CCCCCS(=O)(=O)N(CC(=O)[O-])C1CC1	ZINC000738428013	581318289	/nfs/dbraw/zinc/31/82/89/581318289.db2.gz	ICHHDHIGGLIMIJ-UHFFFAOYSA-N	-1	0	260.315	0.559	20	30		CCEDRM
N#CCn1cc(NC(=O)[C@@H]2CCC[C@@H]2NC(=O)[O-])cn1	ZINC000740310873	581323427	/nfs/dbraw/zinc/32/34/27/581323427.db2.gz	KOWLGNZYEXDUMJ-ZJUUUORDSA-N	-1	0	277.284	0.781	20	30		CCEDRM
COCCN(CCC#N)C(=O)CCCN(C)C(=O)[O-]	ZINC000737779758	581327439	/nfs/dbraw/zinc/32/74/39/581327439.db2.gz	QYPUQZPXHXLQJT-UHFFFAOYSA-N	-1	0	271.317	0.765	20	30		CCEDRM
C#CCCN1CCN(C(=O)[C@@H](NC(=O)[O-])[C@H](C)CC)CC1	ZINC000738456932	581331092	/nfs/dbraw/zinc/33/10/92/581331092.db2.gz	GOWUGBLPBOZMCU-OLZOCXBDSA-N	-1	0	295.383	0.836	20	30		CCEDRM
C#CCCN1CCN(C(=O)[C@H](CC)NC(=O)[O-])CC1	ZINC000738457875	581332066	/nfs/dbraw/zinc/33/20/66/581332066.db2.gz	ZGDKYRIAMDSHRD-NSHDSACASA-N	-1	0	267.329	0.200	20	30		CCEDRM
C=C[C@](C)(CCOC)C(=O)[N-]S(=O)(=O)[C@@H]1CCOC1	ZINC000783100207	581335937	/nfs/dbraw/zinc/33/59/37/581335937.db2.gz	USJUPBZGWSYMIH-ZYHUDNBSSA-N	-1	0	291.369	0.450	20	30		CCEDRM
C=CCOc1cccnc1C(=O)[N-]N1CCCNC1=O	ZINC000783602942	581351745	/nfs/dbraw/zinc/35/17/45/581351745.db2.gz	GOFYPMMPYFNRSO-UHFFFAOYSA-N	-1	0	276.296	0.707	20	30		CCEDRM
C=CCNC(=O)c1nnn(C2CCN(C(=O)[O-])CC2)c1C	ZINC000738491507	581360963	/nfs/dbraw/zinc/36/09/63/581360963.db2.gz	MOCOWJKKIAUEBW-UHFFFAOYSA-N	-1	0	293.327	0.817	20	30		CCEDRM
C[C@@H]1C(=O)CC[C@@H]1CC(=O)[N-]S(=O)(=O)CCCC#N	ZINC000796812987	581363110	/nfs/dbraw/zinc/36/31/10/581363110.db2.gz	RELUBEWOMFLZIJ-VHSXEESVSA-N	-1	0	286.353	0.741	20	30		CCEDRM
N#CCNC(=O)C/N=C/c1cc([N+](=O)[O-])ccc1[O-]	ZINC000794676634	581383271	/nfs/dbraw/zinc/38/32/71/581383271.db2.gz	OSDYIHWVALUZTP-AWNIVKPZSA-N	-1	0	262.225	0.359	20	30		CCEDRM
C[C@H]1COC(=O)C1=N[N-]c1cc(Cl)nc(N)n1	ZINC000794927683	581391380	/nfs/dbraw/zinc/39/13/80/581391380.db2.gz	PMCAQSAENDOUAE-BYPYZUCNSA-N	-1	0	255.665	0.673	20	30		CCEDRM
Cn1cc(C#N)c([N-]S(=O)(=O)C[C@@H]2CCCOC2)n1	ZINC000795333051	581404540	/nfs/dbraw/zinc/40/45/40/581404540.db2.gz	XXOWQDHIHVJPIA-SECBINFHSA-N	-1	0	284.341	0.460	20	30		CCEDRM
CCCN(C)S(=O)(=O)[N-]C(=O)CC(C)(C)C#N	ZINC000786455434	581441446	/nfs/dbraw/zinc/44/14/46/581441446.db2.gz	TYJQVUDXKMUICI-UHFFFAOYSA-N	-1	0	261.347	0.629	20	30		CCEDRM
N#Cc1ccc(C(=O)[N-]S(=O)(=O)c2cccnc2)o1	ZINC000796696850	581448577	/nfs/dbraw/zinc/44/85/77/581448577.db2.gz	KIPUSULFCXYXFE-UHFFFAOYSA-N	-1	0	277.261	0.665	20	30		CCEDRM
COCCCNC(=O)C(C#N)=C([O-])c1ccc(C#N)o1	ZINC000796739713	581449588	/nfs/dbraw/zinc/44/95/88/581449588.db2.gz	DWWILLZMDBNVLQ-SNVBAGLBSA-N	-1	0	275.264	0.626	20	30		CCEDRM
C=CCNC(=O)C(C#N)=C([O-])c1nnn(C(C)C)c1C	ZINC000796745034	581449680	/nfs/dbraw/zinc/44/96/80/581449680.db2.gz	KCWUFUIXHHRROY-JTQLQIEISA-N	-1	0	275.312	0.792	20	30		CCEDRM
CC(C)CS(=O)(=O)[N-]C(=O)c1ccc(C#N)o1	ZINC000796818160	581451690	/nfs/dbraw/zinc/45/16/90/581451690.db2.gz	OGODATOSECPHRH-UHFFFAOYSA-N	-1	0	256.283	0.867	20	30		CCEDRM
CCC(=O)[N-]S(=O)(=O)c1cccc(F)c1C#N	ZINC000796864957	581452573	/nfs/dbraw/zinc/45/25/73/581452573.db2.gz	ZBHCRYRGWBJUDU-UHFFFAOYSA-N	-1	0	256.258	0.912	20	30		CCEDRM
CC(C)(C)OC(=O)C[C@@](C)(C#N)C(=O)[N-]OCCO	ZINC000787283110	581464037	/nfs/dbraw/zinc/46/40/37/581464037.db2.gz	AOMYZFWCPUSDOF-LBPRGKRZSA-N	-1	0	272.301	0.288	20	30		CCEDRM
C[C@H](Oc1ccccc1C#N)C(=O)[N-]OCCO	ZINC000787291998	581465117	/nfs/dbraw/zinc/46/51/17/581465117.db2.gz	NNMSLLNGVUHQDI-VIFPVBQESA-N	-1	0	250.254	0.366	20	30		CCEDRM
C[C@@H]1CN(S(=O)(=O)CCCC#N)CC[C@H]1NC(=O)[O-]	ZINC000739188543	581520129	/nfs/dbraw/zinc/52/01/29/581520129.db2.gz	GBGFAYFLUIEKBS-NXEZZACHSA-N	-1	0	289.357	0.598	20	30		CCEDRM
COc1ncc(C([O-])=C(C#N)C(=O)NC2CCCC2)cn1	ZINC000734080212	581542821	/nfs/dbraw/zinc/54/28/21/581542821.db2.gz	LZNIEFNVJOBGBN-NSHDSACASA-N	-1	0	288.307	0.866	20	30		CCEDRM
CO[C@@H](C)C(=O)[N-]S(=O)(=O)c1cc(C#N)ccc1C	ZINC000734291430	581554190	/nfs/dbraw/zinc/55/41/90/581554190.db2.gz	PIUNXADUJNVIFH-VIFPVBQESA-N	-1	0	282.321	0.707	20	30		CCEDRM
CCn1nc(C)cc1C(=O)[N-]S(=O)(=O)CC1(C#N)CC1	ZINC000753946038	581566235	/nfs/dbraw/zinc/56/62/35/581566235.db2.gz	XDJRWSNINXMRPV-UHFFFAOYSA-N	-1	0	296.352	0.575	20	30		CCEDRM
CCCn1cc(C([O-])=C(C#N)C(=O)N2CCCC2)nn1	ZINC000766614365	581573110	/nfs/dbraw/zinc/57/31/10/581573110.db2.gz	SXMDVCWRTSZTJT-SNVBAGLBSA-N	-1	0	275.312	0.633	20	30		CCEDRM
COCCN(CC(=O)Nc1ccc(C#N)cn1)C(=O)[O-]	ZINC000739820827	581624518	/nfs/dbraw/zinc/62/45/18/581624518.db2.gz	AWMOYXKVGFGJIN-UHFFFAOYSA-N	-1	0	278.268	0.518	20	30		CCEDRM
COc1ccccc1[C@H](NC(=O)[O-])C(=O)N(C)CC#N	ZINC000739962123	581639575	/nfs/dbraw/zinc/63/95/75/581639575.db2.gz	FHMUJWWAZHJBGF-NSHDSACASA-N	-1	0	277.280	0.986	20	30		CCEDRM
C#Cc1ccc(C(=O)N(C)C[C@H](C)c2nnn[n-]2)nc1	ZINC000735388217	581642852	/nfs/dbraw/zinc/64/28/52/581642852.db2.gz	UERRYUVKZLUHLY-VIFPVBQESA-N	-1	0	270.296	0.452	20	30		CCEDRM
N#CCCCS(=O)(=O)N[C@@H](CNC(=O)[O-])C1CC1	ZINC000740306131	581662955	/nfs/dbraw/zinc/66/29/55/581662955.db2.gz	CRSIHHPPDXJKKR-VIFPVBQESA-N	-1	0	275.330	0.256	20	30		CCEDRM
N#CC1CCN(C(=O)N[C@H](CNC(=O)[O-])C2CC2)CC1	ZINC000740309115	581663386	/nfs/dbraw/zinc/66/33/86/581663386.db2.gz	DKZZDWKZNBSPDZ-LLVKDONJSA-N	-1	0	280.328	0.978	20	30		CCEDRM
N#C[C@]1(NC(=O)CSCC(=O)[O-])CCSC1	ZINC000740310655	581663819	/nfs/dbraw/zinc/66/38/19/581663819.db2.gz	UXYQWGBTEYGVFA-SECBINFHSA-N	-1	0	260.340	0.320	20	30		CCEDRM
N#Cc1ccc(C(=O)N[C@H]2CCN(C(=O)[O-])C2)cn1	ZINC000740313216	581664789	/nfs/dbraw/zinc/66/47/89/581664789.db2.gz	KVRVEOQWCJUELY-JTQLQIEISA-N	-1	0	260.253	0.435	20	30		CCEDRM
C#CCOCCC(=O)[N-]S(=O)(=O)C[C@H]1CCCCO1	ZINC000756533772	581670056	/nfs/dbraw/zinc/67/00/56/581670056.db2.gz	QNYLXOAJNXDRCO-LLVKDONJSA-N	-1	0	289.353	0.041	20	30		CCEDRM
C#CCOCCC(=O)[N-]S(=O)(=O)c1cccc(OC)c1	ZINC000756524695	581670367	/nfs/dbraw/zinc/67/03/67/581670367.db2.gz	LEEZBZKMEJBPBY-UHFFFAOYSA-N	-1	0	297.332	0.540	20	30		CCEDRM
C=CCCO[C@@H](C)C(=O)N1CCCn2nc(C(=O)[O-])nc21	ZINC000736102290	581696262	/nfs/dbraw/zinc/69/62/62/581696262.db2.gz	FTVHPOFLNWNDPV-VIFPVBQESA-N	-1	0	294.311	0.694	20	30		CCEDRM
C=CCNC(=O)[C@@H](C)OC(=O)CCCN(C)C(=O)[O-]	ZINC000736107232	581697591	/nfs/dbraw/zinc/69/75/91/581697591.db2.gz	VDGRNLCIMRMKML-SECBINFHSA-N	-1	0	272.301	0.610	20	30		CCEDRM
C[C@@H](C#N)C(=O)NC[C@H](Cc1ccc(O)cc1)C(=O)[O-]	ZINC000736203556	581714710	/nfs/dbraw/zinc/71/47/10/581714710.db2.gz	TZJUXJZGCJLJCC-ONGXEEELSA-N	-1	0	276.292	0.911	20	30		CCEDRM
C#CC[C@H](NC(=O)c1cc(=O)[nH][n-]1)c1ccccc1	ZINC000757925784	581715448	/nfs/dbraw/zinc/71/54/48/581715448.db2.gz	SORCEDMCJKSAGZ-NSHDSACASA-N	-1	0	255.277	0.743	20	30		CCEDRM
CC(C)[C@H](NC(=O)[O-])C(=O)N1CCN(C2CC2)[C@H](C#N)C1	ZINC000736361330	581749236	/nfs/dbraw/zinc/74/92/36/581749236.db2.gz	CFZFJDCBWCUQKO-NEPJUHHUSA-N	-1	0	294.355	0.477	20	30		CCEDRM
O=C1CNC(=O)N1N=Cc1ccc([N+](=O)[O-])c([O-])c1	ZINC000770615078	581756121	/nfs/dbraw/zinc/75/61/21/581756121.db2.gz	LOKWBRRXOKTSRZ-UHFFFAOYSA-N	-1	0	264.197	0.186	20	30		CCEDRM
CN(C)C(=S)NN=Cc1ccccc1OCC(=O)[O-]	ZINC000731560326	581771449	/nfs/dbraw/zinc/77/14/49/581771449.db2.gz	ODIJQEULPQBEQR-UHFFFAOYSA-N	-1	0	281.337	0.920	20	30		CCEDRM
Cc1cc(OCC(=O)C(C#N)=C([O-])c2nccn2C)no1	ZINC000770871288	581775690	/nfs/dbraw/zinc/77/56/90/581775690.db2.gz	LBINCXGDRMYDFU-SECBINFHSA-N	-1	0	288.263	0.687	20	30		CCEDRM
COC(=O)C[C@@H](C)C(=O)Nc1nc(C#N)c(C#N)[n-]1	ZINC000759078059	581781867	/nfs/dbraw/zinc/78/18/67/581781867.db2.gz	ZCFMJEHUUQJKMK-ZCFIWIBFSA-N	-1	0	261.241	0.291	20	30		CCEDRM
N#Cc1cccc(C(=O)N2CCO[C@@H](c3nnn[n-]3)C2)c1	ZINC000731854133	581783308	/nfs/dbraw/zinc/78/33/08/581783308.db2.gz	SRFJNDFPRDFFGE-LLVKDONJSA-N	-1	0	284.279	0.285	20	30		CCEDRM
CS[C@H](C)C(=O)[N-]S(=O)(=O)CC1(C#N)CCC1	ZINC000771073609	581789074	/nfs/dbraw/zinc/78/90/74/581789074.db2.gz	DQAYXCAAKSIPCQ-MRVPVSSYSA-N	-1	0	276.383	0.878	20	30		CCEDRM
CO[C@@H](C)CCC(=O)[N-]S(=O)(=O)CC1(C#N)CCC1	ZINC000771075244	581789742	/nfs/dbraw/zinc/78/97/42/581789742.db2.gz	YRCVUOJLYHPADC-JTQLQIEISA-N	-1	0	288.369	0.941	20	30		CCEDRM
C[C@H]1C[C@H]1C(=O)[N-]S(=O)(=O)CC1(C#N)CCC1	ZINC000771077387	581789820	/nfs/dbraw/zinc/78/98/20/581789820.db2.gz	PARKHMXGEHCLRJ-DTWKUNHWSA-N	-1	0	256.327	0.782	20	30		CCEDRM
C[C@H](CNC(=O)Cc1ccc(OCC#N)cc1)C(=O)[O-]	ZINC000736595516	581802354	/nfs/dbraw/zinc/80/23/54/581802354.db2.gz	MXFQGZYQRSOLAV-SNVBAGLBSA-N	-1	0	276.292	0.968	20	30		CCEDRM
C[C@H](Oc1ccc(C#N)cc1)C(=O)N(CC#N)CC(=O)[O-]	ZINC000736700360	581820792	/nfs/dbraw/zinc/82/07/92/581820792.db2.gz	JVNUHTKAANAECE-JTQLQIEISA-N	-1	0	287.275	0.762	20	30		CCEDRM
C=CCOCCCC(=O)[N-]S(=O)(=O)[C@@H]1CCOC1	ZINC000744138063	581832436	/nfs/dbraw/zinc/83/24/36/581832436.db2.gz	ZKOWJXKFNBFJPO-SNVBAGLBSA-N	-1	0	277.342	0.204	20	30		CCEDRM
C#CCOc1ccc(C(=O)[N-]S(=O)(=O)N(C)CC)cc1	ZINC000744239717	581835910	/nfs/dbraw/zinc/83/59/10/581835910.db2.gz	GQDBKJODYZMYOF-UHFFFAOYSA-N	-1	0	296.348	0.625	20	30		CCEDRM
CC[C@H](C)[C@H](NC(=O)CN(CC)CC#N)C(=O)[O-]	ZINC000736880690	581863982	/nfs/dbraw/zinc/86/39/82/581863982.db2.gz	ZFBRBGUCYIEAPL-ONGXEEELSA-N	-1	0	255.318	0.447	20	30		CCEDRM
C=CCS(=O)(=O)[N-]C(=O)c1ccc(C=NOC)cc1	ZINC000772712797	581885617	/nfs/dbraw/zinc/88/56/17/581885617.db2.gz	FQWSPNQMLGQFQA-UHFFFAOYSA-N	-1	0	282.321	0.913	20	30		CCEDRM
C=CCS(=O)(=O)[N-]C(=O)C[C@@H]1CSCCS1	ZINC000772721021	581886570	/nfs/dbraw/zinc/88/65/70/581886570.db2.gz	AZOHPNKRAMGGJN-MRVPVSSYSA-N	-1	0	281.424	0.857	20	30		CCEDRM
C=CCS(=O)(=O)[N-]C(=O)[C@H]1CCC(=O)c2cccn21	ZINC000789457531	581889824	/nfs/dbraw/zinc/88/98/24/581889824.db2.gz	ALEPZVZGMUOQCA-SNVBAGLBSA-N	-1	0	282.321	0.638	20	30		CCEDRM
C[C@H]1COCC[C@@H]1C(=O)[N-]S(=O)(=O)CC(C)(C)C#N	ZINC000774174081	581963122	/nfs/dbraw/zinc/96/31/22/581963122.db2.gz	NXPKEOWNBQCHDV-UWVGGRQHSA-N	-1	0	288.369	0.655	20	30		CCEDRM
C#CCCNC(=O)N1CCC(N(C)C(=O)[O-])CC1	ZINC000737492470	581965904	/nfs/dbraw/zinc/96/59/04/581965904.db2.gz	LMWYAXJNQMQSLR-UHFFFAOYSA-N	-1	0	253.302	0.794	20	30		CCEDRM
C=CCS(=O)(=O)[N-]C(=O)c1ccc(OC(F)F)cn1	ZINC000774253206	581966755	/nfs/dbraw/zinc/96/67/55/581966755.db2.gz	ZBJOKOOMYILHAO-UHFFFAOYSA-N	-1	0	292.263	0.929	20	30		CCEDRM
CN1CCC(C#N)(NC(=O)c2ccc(C(=O)[O-])cn2)CC1	ZINC000737509960	581969437	/nfs/dbraw/zinc/96/94/37/581969437.db2.gz	VDLHXOHPTNDVSX-UHFFFAOYSA-N	-1	0	288.307	0.498	20	30		CCEDRM
C=CCN(CC(=O)[O-])C(=O)c1cccn(C)c1=O	ZINC000737527500	581973172	/nfs/dbraw/zinc/97/31/72/581973172.db2.gz	UATXCXBFXRZBAC-UHFFFAOYSA-N	-1	0	250.254	0.098	20	30		CCEDRM
N#Cc1ccc([O-])c(NC(=O)Cn2ccc(=O)[nH]c2=O)c1	ZINC000748410283	581974109	/nfs/dbraw/zinc/97/41/09/581974109.db2.gz	HCQMWGFPVLLTST-UHFFFAOYSA-N	-1	0	286.247	0.165	20	30		CCEDRM
COCCCNC(=O)C(C#N)=C([O-])c1ccn(C)c1	ZINC000763469679	581999731	/nfs/dbraw/zinc/99/97/31/581999731.db2.gz	QKNIERUSAPZEKE-LLVKDONJSA-N	-1	0	263.297	0.500	20	30		CCEDRM
N#Cc1ccc(C(=O)N2CCO[C@@H](c3nnn[n-]3)C2)s1	ZINC000749386404	582006194	/nfs/dbraw/zinc/00/61/94/582006194.db2.gz	SLVIGXCZLYXLMY-MRVPVSSYSA-N	-1	0	290.308	0.347	20	30		CCEDRM
COc1ccc([C@@H](NCC(=O)NCCC#N)C(=O)[O-])cc1	ZINC000737970041	582011227	/nfs/dbraw/zinc/01/12/27/582011227.db2.gz	HXVZKFSCIDPNPA-CYBMUJFWSA-N	-1	0	291.307	0.440	20	30		CCEDRM
N#Cc1ccc(CC(=O)[N-]S(=O)(=O)N2CCCC2)cc1	ZINC000750400070	582042796	/nfs/dbraw/zinc/04/27/96/582042796.db2.gz	VUIJDULRTVQYRQ-UHFFFAOYSA-N	-1	0	293.348	0.558	20	30		CCEDRM
COC[C@H](C)CC(=O)[N-]S(=O)(=O)CCCC#N	ZINC000776123097	582052687	/nfs/dbraw/zinc/05/26/87/582052687.db2.gz	LFWVNJFTHJFZRV-SECBINFHSA-N	-1	0	262.331	0.409	20	30		CCEDRM
CCOc1ncccc1C(=O)[N-]S(=O)(=O)CCCC#N	ZINC000776122645	582052793	/nfs/dbraw/zinc/05/27/93/582052793.db2.gz	SOKWMNPRCSSVOB-UHFFFAOYSA-N	-1	0	297.336	0.844	20	30		CCEDRM
CSC[C@@H](C)C(=O)[N-]S(=O)(=O)CC(C)(C)C#N	ZINC000776138840	582053360	/nfs/dbraw/zinc/05/33/60/582053360.db2.gz	PYIOSGVHUKYPEF-MRVPVSSYSA-N	-1	0	278.399	0.981	20	30		CCEDRM
C#CCNC(=O)COC(=O)[C@@](C)(CCC)NC(=O)[O-]	ZINC000738462959	582053892	/nfs/dbraw/zinc/05/38/92/582053892.db2.gz	HNPMWNUAINELCT-GFCCVEGCSA-N	-1	0	270.285	0.105	20	30		CCEDRM
CC(C)(C#N)CS(=O)(=O)[N-]C(=O)CCOCC1CC1	ZINC000776143064	582053987	/nfs/dbraw/zinc/05/39/87/582053987.db2.gz	SXEJMJYSOMYJRV-UHFFFAOYSA-N	-1	0	288.369	0.799	20	30		CCEDRM
CC(C)(C#N)CS(=O)(=O)[N-]C(=O)Cc1ccco1	ZINC000776140916	582053993	/nfs/dbraw/zinc/05/39/93/582053993.db2.gz	QKIMKKKQJRAXGU-UHFFFAOYSA-N	-1	0	270.310	0.818	20	30		CCEDRM
CCc1ncncc1C(=O)[N-]S(=O)(=O)CC(C)(C)C#N	ZINC000776139482	582054135	/nfs/dbraw/zinc/05/41/35/582054135.db2.gz	RYTOGOGZBHYBOG-UHFFFAOYSA-N	-1	0	296.352	0.648	20	30		CCEDRM
C=CCOCC(=O)NC1(CNC(=O)[O-])CCCC1	ZINC000738490431	582055434	/nfs/dbraw/zinc/05/54/34/582055434.db2.gz	ATDWZJCLTFGLPO-UHFFFAOYSA-N	-1	0	256.302	0.886	20	30		CCEDRM
C=CCN(CC=C)C(=O)COC(=O)[C@@H]1CCN(C(=O)[O-])C1	ZINC000738489907	582055438	/nfs/dbraw/zinc/05/54/38/582055438.db2.gz	KWTCLVRTXGRUEF-LLVKDONJSA-N	-1	0	296.323	0.730	20	30		CCEDRM
C=CCOCC(=O)N(C)C1CCN(C(=O)[O-])CC1	ZINC000738492552	582056005	/nfs/dbraw/zinc/05/60/05/582056005.db2.gz	WTODYSJEOSKKQL-UHFFFAOYSA-N	-1	0	256.302	0.790	20	30		CCEDRM
C#CCOc1ccccc1NC(=O)c1n[nH]c(=O)[n-]1	ZINC000776263625	582065385	/nfs/dbraw/zinc/06/53/85/582065385.db2.gz	FRGQKFLDADLPDA-UHFFFAOYSA-N	-1	0	258.237	0.775	20	30		CCEDRM
Cc1ccc(NC(=O)C(=O)N(CC#N)CC(=O)[O-])cc1	ZINC000738616906	582066005	/nfs/dbraw/zinc/06/60/05/582066005.db2.gz	YRIZZTFILUZFEF-UHFFFAOYSA-N	-1	0	275.264	0.370	20	30		CCEDRM
CN1C(=S)N=NC1CNC(=O)c1cc(O)cc(C#N)c1	ZINC000776345705	582069939	/nfs/dbraw/zinc/06/99/39/582069939.db2.gz	LDZPDZHYXMOLOE-UHFFFAOYSA-N	-1	0	289.320	0.611	20	30		CCEDRM
Cn1ccc(S(=O)(=O)[N-]c2cc(C#N)ccc2O)n1	ZINC000751216040	582072829	/nfs/dbraw/zinc/07/28/29/582072829.db2.gz	ZVHSMCGDTJIUSJ-UHFFFAOYSA-N	-1	0	278.293	0.798	20	30		CCEDRM
C=CCCS(=O)(=O)N[C@H](C(=O)[O-])C1CCOCC1	ZINC000776525370	582075889	/nfs/dbraw/zinc/07/58/89/582075889.db2.gz	KYHDSSZTDYHPEE-JTQLQIEISA-N	-1	0	277.342	0.362	20	30		CCEDRM
C=CCC[C@@H](NS(=O)(=O)c1ccc(N)cc1)C(=O)[O-]	ZINC000776597914	582084661	/nfs/dbraw/zinc/08/46/61/582084661.db2.gz	VBYGXZLSDBDLFQ-LLVKDONJSA-N	-1	0	284.337	0.967	20	30		CCEDRM
COc1cc(C)nc(C=Nn2c(=O)c(C)n[n-]c2=S)c1	ZINC000776758734	582089481	/nfs/dbraw/zinc/08/94/81/582089481.db2.gz	ALYGYZILVCKCLS-UHFFFAOYSA-N	-1	0	291.336	0.830	20	30		CCEDRM
Cn1cc(Cl)cc1C(=O)N(CC#N)CC(=O)[O-]	ZINC000739032909	582098660	/nfs/dbraw/zinc/09/86/60/582098660.db2.gz	ALDMYZUKIZTYPR-UHFFFAOYSA-N	-1	0	255.661	0.729	20	30		CCEDRM
N#CC1(C(=O)OCc2noc(CCC(=O)[O-])n2)CCC1	ZINC000739066287	582100575	/nfs/dbraw/zinc/10/05/75/582100575.db2.gz	KPPOVSGTQXYHPI-UHFFFAOYSA-N	-1	0	279.252	0.824	20	30		CCEDRM
N#C[C@H](C(=O)[C@@H]1C[C@H]1C(=O)[O-])c1nnc2n1CCCCC2	ZINC000739074980	582101326	/nfs/dbraw/zinc/10/13/26/582101326.db2.gz	ORUOCJGQBYFLIK-OPRDCNLKSA-N	-1	0	288.307	0.901	20	30		CCEDRM
N#CCN(CC(=O)[O-])C(=O)[C@@H]1CSCCS1	ZINC000739076629	582101390	/nfs/dbraw/zinc/10/13/90/582101390.db2.gz	BBXSDKONQIDVMT-ZETCQYMHSA-N	-1	0	260.340	0.272	20	30		CCEDRM
N#CCN(CC(=O)[O-])C(=O)/C=C\c1ccc2c(c1)OCO2	ZINC000739077077	582101461	/nfs/dbraw/zinc/10/14/61/582101461.db2.gz	HEPIAATZEAVGLV-RQOWECAXSA-N	-1	0	288.259	0.865	20	30		CCEDRM
N#CCN(CC(=O)[O-])C(=O)C[C@@H]1OC(=O)c2ccccc21	ZINC000739077172	582101467	/nfs/dbraw/zinc/10/14/67/582101467.db2.gz	JUMMTRQUMOMUQX-NSHDSACASA-N	-1	0	288.259	0.725	20	30		CCEDRM
N#CCN1CCN(C(=O)c2cccc(C(=O)[O-])n2)CC1	ZINC000739085716	582101826	/nfs/dbraw/zinc/10/18/26/582101826.db2.gz	JUFIRXCZAOCCGW-UHFFFAOYSA-N	-1	0	274.280	0.061	20	30		CCEDRM
N#CCN1CCC(NC(=O)NCCCCCC(=O)[O-])CC1	ZINC000739087451	582102123	/nfs/dbraw/zinc/10/21/23/582102123.db2.gz	YZZOGCSKZUCFFP-UHFFFAOYSA-N	-1	0	296.371	0.919	20	30		CCEDRM
N#CCN(CC(=O)[O-])C(=O)c1cccc2c1OCO2	ZINC000739088728	582102156	/nfs/dbraw/zinc/10/21/56/582102156.db2.gz	ZOKKRGSRDVHQPW-UHFFFAOYSA-N	-1	0	262.221	0.466	20	30		CCEDRM
N#Cc1ccc([C@H](C(=O)[O-])N2CCS(=O)(=O)CC2)cc1	ZINC000739103864	582102810	/nfs/dbraw/zinc/10/28/10/582102810.db2.gz	CWEABPLZQFFRKJ-GFCCVEGCSA-N	-1	0	294.332	0.414	20	30		CCEDRM
N#Cc1ccc(NN=Cc2cn(CC(=O)[O-])nn2)cc1	ZINC000768481984	582107242	/nfs/dbraw/zinc/10/72/42/582107242.db2.gz	GKUQYYLVHIMREO-UHFFFAOYSA-N	-1	0	270.252	0.680	20	30		CCEDRM
C=C(Br)CNC(=O)C[C@@]1(C(=O)[O-])CCOC1	ZINC000872914861	613236571	/nfs/dbraw/zinc/23/65/71/613236571.db2.gz	ROTWMXSSWFOUQB-JTQLQIEISA-N	-1	0	292.129	0.893	20	30		CCEDRM
C=C(Br)CNC(=O)[C@H]1C[C@@H](C)[C@H](C(=O)[O-])O1	ZINC000864106903	613237798	/nfs/dbraw/zinc/23/77/98/613237798.db2.gz	PDOGIBPHJROPKN-LPBLVHEISA-N	-1	0	292.129	0.889	20	30		CCEDRM
C=C(C)CS(=O)(=O)N[C@H](C(=O)[O-])C1CCOCC1	ZINC000844783564	613354277	/nfs/dbraw/zinc/35/42/77/613354277.db2.gz	BXNMKKVHMPHHSX-JTQLQIEISA-N	-1	0	277.342	0.362	20	30		CCEDRM
N#CCSCC(=O)N1CCC[C@H](CC(=O)[O-])C1	ZINC000054295529	597089534	/nfs/dbraw/zinc/08/95/34/597089534.db2.gz	MPHCDERGZRENEZ-SECBINFHSA-N	-1	0	256.327	0.956	20	30		CCEDRM
C[C@H](C(=O)[O-])N(C)C(=O)C#Cc1ccc2c(c1)OCO2	ZINC000817743959	597134262	/nfs/dbraw/zinc/13/42/62/597134262.db2.gz	NOROQAUTZBLDNH-SECBINFHSA-N	-1	0	275.260	0.698	20	30		CCEDRM
C=C(Br)CNC(=O)NCCC(=O)[O-]	ZINC000168365629	597216272	/nfs/dbraw/zinc/21/62/72/597216272.db2.gz	PRUFHSDDDLYLOW-UHFFFAOYSA-N	-1	0	251.080	0.669	20	30		CCEDRM
C#CCCCS(=O)(=O)[N-]c1nc2cnccn2n1	ZINC000886420189	612985523	/nfs/dbraw/zinc/98/55/23/612985523.db2.gz	ZALFFCLNUQBBLJ-UHFFFAOYSA-N	-1	0	265.298	0.279	20	30		CCEDRM
C[C@@H](C(=O)[O-])N(C)CCS(=O)(=O)c1cccc(C#N)c1	ZINC000163337477	597387471	/nfs/dbraw/zinc/38/74/71/597387471.db2.gz	YDOIIIHXRXSANT-JTQLQIEISA-N	-1	0	296.348	0.737	20	30		CCEDRM
C[C@@H](C(=O)[O-])N(C)C(=O)COc1ccccc1C#N	ZINC000054052456	597457412	/nfs/dbraw/zinc/45/74/12/597457412.db2.gz	PRYNJEMWDCESER-VIFPVBQESA-N	-1	0	262.265	0.869	20	30		CCEDRM
N#Cc1cccc(CC(=O)N2CCO[C@@H](C(=O)[O-])C2)c1	ZINC000819106219	597495193	/nfs/dbraw/zinc/49/51/93/597495193.db2.gz	HSEAASYWQIJNEV-GFCCVEGCSA-N	-1	0	274.276	0.413	20	30		CCEDRM
N#Cc1ccccc1OCC(=O)N1CC[C@@H](C(=O)[O-])C1	ZINC000062118868	597499565	/nfs/dbraw/zinc/49/95/65/597499565.db2.gz	INUQBPXFJXAFPA-LLVKDONJSA-N	-1	0	274.276	0.870	20	30		CCEDRM
C[C@H](NC(=O)C(=O)Nc1cccc(OCC#N)c1)C(=O)[O-]	ZINC000818022000	597519632	/nfs/dbraw/zinc/51/96/32/597519632.db2.gz	BEANKZWTLQAXRY-QMMMGPOBSA-N	-1	0	291.263	0.117	20	30		CCEDRM
C[C@](C#N)(CC(=O)[O-])C(=O)Nc1nc2cc[nH]cc-2n1	ZINC000819866338	597604509	/nfs/dbraw/zinc/60/45/09/597604509.db2.gz	WAFXFZBOEOXGRE-GFCCVEGCSA-N	-1	0	273.252	0.901	20	30		CCEDRM
C[C@@H]1C[C@@H](CNC(=O)[C@](C)(C#N)CC(=O)[O-])CCO1	ZINC000820228550	597607853	/nfs/dbraw/zinc/60/78/53/597607853.db2.gz	PFEWRGMLTGRLRY-NRUUGDAUSA-N	-1	0	268.313	0.922	20	30		CCEDRM
Cc1nnc([C@@H](C)OC(=O)[C@](C)(C#N)CC(=O)[O-])o1	ZINC000821216873	597617682	/nfs/dbraw/zinc/61/76/82/597617682.db2.gz	RIPPJPFZKPOHFK-KBUNVGBDSA-N	-1	0	267.241	0.987	20	30		CCEDRM
C[C@](C#N)(CC(=O)[O-])C(=O)NCc1ccccc1CO	ZINC000819842742	597636163	/nfs/dbraw/zinc/63/61/63/597636163.db2.gz	SEDLYTXEWXTJHZ-CQSZACIVSA-N	-1	0	276.292	0.800	20	30		CCEDRM
C[C@@](C#N)(CC(=O)[O-])C(=O)N1CCC[C@H](C2OCCO2)C1	ZINC000819811641	597642597	/nfs/dbraw/zinc/64/25/97/597642597.db2.gz	SSFHYOSGZWIZNM-HZMBPMFUSA-N	-1	0	296.323	0.602	20	30		CCEDRM
C[C@@](C#N)(CC(=O)[O-])C(=O)N1CCN(C2CCC2)CC1	ZINC000819822118	597647006	/nfs/dbraw/zinc/64/70/06/597647006.db2.gz	LVXDFFCWTBUCPH-AWEZNQCLSA-N	-1	0	279.340	0.688	20	30		CCEDRM
Cc1ccc([C@H](O)CNC(=O)[C@](C)(C#N)CC(=O)[O-])o1	ZINC000821069401	597650875	/nfs/dbraw/zinc/65/08/75/597650875.db2.gz	ABMIPXKMFZPFBC-RNCFNFMXSA-N	-1	0	280.280	0.742	20	30		CCEDRM
C[C@H](CC[S@@](C)=O)NC(=O)[C@](C)(C#N)CC(=O)[O-]	ZINC000820095704	597651390	/nfs/dbraw/zinc/65/13/90/597651390.db2.gz	MVAXFSRIEQQDJX-KRMVYDLESA-N	-1	0	274.342	0.264	20	30		CCEDRM
C[C@](C#N)(CC(=O)[O-])C(=O)NC[C@H](O)c1ccccc1F	ZINC000819834415	597652604	/nfs/dbraw/zinc/65/26/04/597652604.db2.gz	MYVCUKBQNQCBAL-SMDDNHRTSA-N	-1	0	294.282	0.980	20	30		CCEDRM
C[C@@](C#N)(CC(=O)[O-])C(=O)NCC[C@@H](O)C(F)(F)F	ZINC000819834524	597652903	/nfs/dbraw/zinc/65/29/03/597652903.db2.gz	OCNAHNISFMRRKS-MUWHJKNJSA-N	-1	0	282.218	0.420	20	30		CCEDRM
C[C@](C#N)(CC(=O)[O-])C(=O)N1CCCC2(C1)OCCO2	ZINC000819811863	597658149	/nfs/dbraw/zinc/65/81/49/597658149.db2.gz	WEOQLKBMLXSSPD-GFCCVEGCSA-N	-1	0	282.296	0.356	20	30		CCEDRM
C[C@](C#N)(CC(=O)[O-])C(=O)N[C@H](CO)CC1CC1	ZINC000819823032	597670915	/nfs/dbraw/zinc/67/09/15/597670915.db2.gz	RGTVZXBPQMRPLK-JOYOIKCWSA-N	-1	0	254.286	0.268	20	30		CCEDRM
Cc1onc(CC(=O)N2CCC[C@H]2C(=O)[O-])c1C#N	ZINC000821256921	598220526	/nfs/dbraw/zinc/22/05/26/598220526.db2.gz	CXBQEHAMOFYYCF-JTQLQIEISA-N	-1	0	263.253	0.473	20	30		CCEDRM
C[C@](C#N)(CC(=O)[O-])C(=O)NCCCn1cccn1	ZINC000819835517	598223646	/nfs/dbraw/zinc/22/36/46/598223646.db2.gz	WBHSITBVKOYDTB-GFCCVEGCSA-N	-1	0	264.285	0.394	20	30		CCEDRM
C[C@@](C#N)(CC(=O)[O-])C(=O)NCCCn1cccn1	ZINC000819835518	598223657	/nfs/dbraw/zinc/22/36/57/598223657.db2.gz	WBHSITBVKOYDTB-LBPRGKRZSA-N	-1	0	264.285	0.394	20	30		CCEDRM
C[C@@](C#N)(CC(=O)[O-])C(=O)Nc1ccc(C(N)=O)c(F)c1	ZINC000819849253	598226363	/nfs/dbraw/zinc/22/63/63/598226363.db2.gz	YHOMMQGKWOAFPB-ZDUSSCGKSA-N	-1	0	293.254	0.868	20	30		CCEDRM
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C[C@@](C#N)(CC(=O)[O-])C(=O)Nc1ccc(C(N)=O)nc1	ZINC000819847598	598230367	/nfs/dbraw/zinc/23/03/67/598230367.db2.gz	NNLBHYYJAJCXOY-LBPRGKRZSA-N	-1	0	276.252	0.124	20	30		CCEDRM
C[C@](C#N)(CC(=O)[O-])C(=O)N1CCS[C@H]2COCC[C@H]21	ZINC000819823708	598230642	/nfs/dbraw/zinc/23/06/42/598230642.db2.gz	VTFIZDZPGKFDMW-GBIKHYSHSA-N	-1	0	298.364	0.724	20	30		CCEDRM
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C#CCO[C@@H](C)C(=O)N[C@H](C(=O)[O-])c1ccccn1	ZINC000911482128	612997371	/nfs/dbraw/zinc/99/73/71/612997371.db2.gz	QMTPXHQCAGCNLG-ONGXEEELSA-N	-1	0	262.265	0.362	20	30		CCEDRM
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C#CCO[C@H](C)C(=O)[N-]S(=O)(=O)Cc1ccc(C)cc1	ZINC000835444011	613002104	/nfs/dbraw/zinc/00/21/04/613002104.db2.gz	ULBJFQJLRFOQOY-GFCCVEGCSA-N	-1	0	295.360	0.979	20	30		CCEDRM
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N#Cc1cc(C(=O)[O-])cn(CCC2OCCCO2)c1=O	ZINC000833069271	601577422	/nfs/dbraw/zinc/57/74/22/601577422.db2.gz	ZIKMLSGBYKAFPR-UHFFFAOYSA-N	-1	0	278.264	0.571	20	30		CCEDRM
Cn1cc(C#N)c(NC(=O)N[C@@H](CC(=O)[O-])C2CC2)n1	ZINC000833040642	601628616	/nfs/dbraw/zinc/62/86/16/601628616.db2.gz	ONEPTZNURYIPRF-VIFPVBQESA-N	-1	0	277.284	0.667	20	30		CCEDRM
N#C[C@@H]1COCCN1CC(=O)NC1(C(=O)[O-])CCCCC1	ZINC000833061588	601644390	/nfs/dbraw/zinc/64/43/90/601644390.db2.gz	DSRKUKOMFLVLLM-LLVKDONJSA-N	-1	0	295.339	0.114	20	30		CCEDRM
COC[C@@](C)(NC(=O)c1ccc(C#N)cc1)C(=O)[O-]	ZINC000328543906	601692702	/nfs/dbraw/zinc/69/27/02/601692702.db2.gz	KYNYRMQFODSTLZ-CYBMUJFWSA-N	-1	0	262.265	0.778	20	30		CCEDRM
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C[C@@H](CC(=O)[O-])C(=O)N(CCC#N)CCN1CCOCC1	ZINC000827248396	602134485	/nfs/dbraw/zinc/13/44/85/602134485.db2.gz	ZTVHOCUVVUYDTP-LBPRGKRZSA-N	-1	0	297.355	0.172	20	30		CCEDRM
C#CCSCCNC(=O)c1cc(C(=O)[O-])ccn1	ZINC000911424503	613017983	/nfs/dbraw/zinc/01/79/83/613017983.db2.gz	RAGPSDWOFCRCPN-UHFFFAOYSA-N	-1	0	264.306	0.876	20	30		CCEDRM
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C[C@@H](CC(=O)NC1(C#N)CCOCC1)NC(=O)[O-]	ZINC000824616528	602944871	/nfs/dbraw/zinc/94/48/71/602944871.db2.gz	ZNPKKZAOKKOQPX-QMMMGPOBSA-N	-1	0	255.274	0.222	20	30		CCEDRM
C#CCNC(=O)[C@H](C)OC(=O)C1(NC(=O)[O-])CCCC1	ZINC000823455549	612950614	/nfs/dbraw/zinc/95/06/14/612950614.db2.gz	DUFFNHDXQFAOSQ-VIFPVBQESA-N	-1	0	282.296	0.248	20	30		CCEDRM
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C[C@@H](CC#N)N(C)CN1CC2(CN(C(=O)[O-])C2)CC1=O	ZINC000824544218	603588470	/nfs/dbraw/zinc/58/84/70/603588470.db2.gz	PGMHWYJIQPQRIP-JTQLQIEISA-N	-1	0	280.328	0.390	20	30		CCEDRM
N#C[C@H]1CN(C(=O)[O-])CCN1C(=O)C1CCCC1	ZINC000831077039	603592285	/nfs/dbraw/zinc/59/22/85/603592285.db2.gz	VUCUEXWVFRWEAN-JTQLQIEISA-N	-1	0	251.286	0.891	20	30		CCEDRM
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N#C[C@H]1CN(C(=O)[O-])CCN1C(=O)C1CCOCC1	ZINC000831076783	603596281	/nfs/dbraw/zinc/59/62/81/603596281.db2.gz	SVQHWXZKWHXWKO-JTQLQIEISA-N	-1	0	267.285	0.127	20	30		CCEDRM
N#Cc1ccc(C(=O)O[C@@H]2CN(C(=O)[O-])CCC2=O)cn1	ZINC000831122678	603832813	/nfs/dbraw/zinc/83/28/13/603832813.db2.gz	OMTDEVSWACTSII-LLVKDONJSA-N	-1	0	289.247	0.431	20	30		CCEDRM
C[C@H](C#N)CN(C)C(=O)[C@]1(C)CCN(C(=O)[O-])C1	ZINC000823646328	603893066	/nfs/dbraw/zinc/89/30/66/603893066.db2.gz	AFKZCRMFKWCYHG-BXKDBHETSA-N	-1	0	253.302	0.994	20	30		CCEDRM
C[C@@H](CN(C)C(=O)[O-])C(=O)NC[C@@H]1CCCN(CC#N)C1	ZINC000824855208	603914644	/nfs/dbraw/zinc/91/46/44/603914644.db2.gz	PMGROJCPRJXDLJ-RYUDHWBXSA-N	-1	0	296.371	0.584	20	30		CCEDRM
N#C[C@H](NC(=O)[C@H]1CC[C@@H](NC(=O)[O-])C1)C1CC1	ZINC000831070864	603975890	/nfs/dbraw/zinc/97/58/90/603975890.db2.gz	UAYXULJYHRDXJZ-AEJSXWLSSA-N	-1	0	251.286	0.841	20	30		CCEDRM
N#CC1(NC(=O)[C@]2(F)CCN(C(=O)[O-])C2)CCC1	ZINC000831070180	603988473	/nfs/dbraw/zinc/98/84/73/603988473.db2.gz	GAOXEGPEBXSLGB-NSHDSACASA-N	-1	0	255.249	0.641	20	30		CCEDRM
N#C[C@@H]1CN(C(=O)[O-])CCN1C(=O)/C=C/c1cnccn1	ZINC000831076383	604080133	/nfs/dbraw/zinc/08/01/33/604080133.db2.gz	LMMWRQLBFPQILG-FMBMQGQPSA-N	-1	0	287.279	0.204	20	30		CCEDRM
N#C[C@H]1CN(C(=O)[O-])CCN1C(=O)CCCn1ccnc1	ZINC000831083172	604081033	/nfs/dbraw/zinc/08/10/33/604081033.db2.gz	XFFZPQHMPCSLTO-NSHDSACASA-N	-1	0	291.311	0.378	20	30		CCEDRM
Cc1cc(C(=O)N2CCN(C(=O)[O-])C[C@@H]2C#N)c(C)[nH]1	ZINC000829929851	604081706	/nfs/dbraw/zinc/08/17/06/604081706.db2.gz	DIUKMWFANJHAJJ-JTQLQIEISA-N	-1	0	276.296	0.960	20	30		CCEDRM
C[C@@H](CN(C)C(=O)[O-])C(=O)N1CCC(C#N)CC1	ZINC000824831842	604128433	/nfs/dbraw/zinc/12/84/33/604128433.db2.gz	HDJSUWOHMMVCTA-VIFPVBQESA-N	-1	0	253.302	0.994	20	30		CCEDRM
C[C@H](CN(C)C(=O)[O-])C(=O)NC1(C#N)CCOCC1	ZINC000824849073	604174885	/nfs/dbraw/zinc/17/48/85/604174885.db2.gz	RKQBOFGMLWCOGU-SECBINFHSA-N	-1	0	269.301	0.421	20	30		CCEDRM
N#Cc1ccc(CN2CCN(CCNC(=O)[O-])CC2)cc1	ZINC000831126672	604358098	/nfs/dbraw/zinc/35/80/98/604358098.db2.gz	OSPKBXBFVSLDRS-UHFFFAOYSA-N	-1	0	288.351	0.943	20	30		CCEDRM
C[C@@H]1CN(c2nccnc2C#N)CCN1CCNC(=O)[O-]	ZINC000826086942	604370695	/nfs/dbraw/zinc/37/06/95/604370695.db2.gz	FIGNBTZTAMGNBX-SNVBAGLBSA-N	-1	0	290.327	0.126	20	30		CCEDRM
C[C@@H](NC(=O)[O-])[C@H]1CN(c2cccc(C#N)n2)CCO1	ZINC000825372624	604452036	/nfs/dbraw/zinc/45/20/36/604452036.db2.gz	PNKIWOZGVOXDJI-MWLCHTKSSA-N	-1	0	276.296	0.815	20	30		CCEDRM
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C[C@H](NC(=O)[O-])[C@@H]1CN(C(=O)C(C)(C)C#N)CCO1	ZINC000825295739	604701438	/nfs/dbraw/zinc/70/14/38/604701438.db2.gz	WMMCLGZBGZWQSA-IUCAKERBSA-N	-1	0	269.301	0.420	20	30		CCEDRM
C[C@@H](CC#N)N(C)C(=O)C[C@H]1CN(C(=O)[O-])CCO1	ZINC000824543476	604832185	/nfs/dbraw/zinc/83/21/85/604832185.db2.gz	ILIFWXSFCWYSMS-UWVGGRQHSA-N	-1	0	269.301	0.516	20	30		CCEDRM
C#CCNC(=S)NNc1cccc(-c2nn[nH]n2)c1	ZINC000823851003	612953695	/nfs/dbraw/zinc/95/36/95/612953695.db2.gz	XQEAKHCUPIHWAQ-UHFFFAOYSA-N	-1	0	273.325	0.291	20	30		CCEDRM
C[C@@H](C(N)=O)N(C)[C@@H](C(=O)[O-])c1ccc(C#N)cc1	ZINC000833408944	604972482	/nfs/dbraw/zinc/97/24/82/604972482.db2.gz	XWRNVTQGSNNBBD-GZMMTYOYSA-N	-1	0	261.281	0.490	20	30		CCEDRM
CC(C)(C#N)CNS(=O)(=O)c1csnc1C(=O)[O-]	ZINC000833412667	605084182	/nfs/dbraw/zinc/08/41/82/605084182.db2.gz	DKMPOHUPQNKISU-UHFFFAOYSA-N	-1	0	289.338	0.669	20	30		CCEDRM
C[C@H](CC#N)N(C)S(=O)(=O)c1cc(C(=O)[O-])co1	ZINC000710600477	605201884	/nfs/dbraw/zinc/20/18/84/605201884.db2.gz	LDQWOJMZDMFCNU-SSDOTTSWSA-N	-1	0	272.282	0.900	20	30		CCEDRM
N#CCN1CCC(OC(=O)[C@H]2CCCN(C(=O)[O-])C2)CC1	ZINC000831102724	605269739	/nfs/dbraw/zinc/26/97/39/605269739.db2.gz	RWKMOBFSDRHONO-NSHDSACASA-N	-1	0	295.339	0.908	20	30		CCEDRM
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N#C[C@@H]1CN(C(=O)[O-])C[C@H]1NC[C@@H](O)c1ccc(F)cc1	ZINC000833968689	605683536	/nfs/dbraw/zinc/68/35/36/605683536.db2.gz	XLKNBOFBTCTTJF-RAIGVLPGSA-N	-1	0	293.298	0.951	20	30		CCEDRM
N#C[C@@H]1CN(C(=O)[O-])C[C@@H]1NC[C@@H](O)c1ccccc1F	ZINC000833969040	605685331	/nfs/dbraw/zinc/68/53/31/605685331.db2.gz	ZQPWZPAFTBGHSZ-JIMOISOXSA-N	-1	0	293.298	0.951	20	30		CCEDRM
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N#CC1(CS(=O)(=O)N2CCC(NC(=O)[O-])CC2)CC1	ZINC000833964281	605937176	/nfs/dbraw/zinc/93/71/76/605937176.db2.gz	DNFGTGRYFTVAAX-UHFFFAOYSA-N	-1	0	287.341	0.352	20	30		CCEDRM
N#C[C@@H]1CSCCN1C(=O)C1CCN(C(=O)[O-])CC1	ZINC000833965869	605978685	/nfs/dbraw/zinc/97/86/85/605978685.db2.gz	FTAXHJNAUWOKPR-SNVBAGLBSA-N	-1	0	283.353	0.844	20	30		CCEDRM
N#C[C@@H](OC(=O)[C@@H](CC(N)=O)NC(=O)[O-])C1CCCCC1	ZINC000833961623	606018934	/nfs/dbraw/zinc/01/89/34/606018934.db2.gz	SEHSHLBUWRWNIT-NXEZZACHSA-N	-1	0	297.311	0.514	20	30		CCEDRM
O=C([O-])N1CCC(=NNC2CCS(=O)(=O)CC2)CC1	ZINC000834070634	606079326	/nfs/dbraw/zinc/07/93/26/606079326.db2.gz	FHIBOXHCQOWQQT-UHFFFAOYSA-N	-1	0	289.357	0.283	20	30		CCEDRM
N#Cc1cc(C(=O)NC2CCN(C(=O)[O-])CC2)c[nH]1	ZINC000833970284	606089535	/nfs/dbraw/zinc/08/95/35/606089535.db2.gz	LFPDLTGFPOFVSY-UHFFFAOYSA-N	-1	0	262.269	0.759	20	30		CCEDRM
C#CCCS(=O)(=O)[N-]C(=O)C[C@@H](C)n1cccc1	ZINC000810780402	613052898	/nfs/dbraw/zinc/05/28/98/613052898.db2.gz	BMZILKXKYAPSGT-LLVKDONJSA-N	-1	0	268.338	0.909	20	30		CCEDRM
C#CCCS(=O)(=O)[N-]C(=O)/C=C\c1ccco1	ZINC000810780551	613052615	/nfs/dbraw/zinc/05/26/15/613052615.db2.gz	HOGQGTJRXQWGGR-SREVYHEPSA-N	-1	0	253.279	0.762	20	30		CCEDRM
C#CCCS(=O)(=O)[N-]C(=O)[C@H](CC(C)C)OC	ZINC000842347201	613053359	/nfs/dbraw/zinc/05/33/59/613053359.db2.gz	PDXWUWOEVPFGNI-JTQLQIEISA-N	-1	0	261.343	0.517	20	30		CCEDRM
C#CCCS(=O)(=O)[N-]C(=O)[C@@H]1Cc2ccccc21	ZINC000810784913	613053106	/nfs/dbraw/zinc/05/31/06/613053106.db2.gz	STRWVBRBTWKTME-GFCCVEGCSA-N	-1	0	263.318	0.796	20	30		CCEDRM
C#CCCS(=O)(=O)[N-]C(=O)[C@H]1[C@@H](C)[C@@H](C)O[C@H]1C	ZINC000860722064	613053107	/nfs/dbraw/zinc/05/31/07/613053107.db2.gz	RAYNARGUTMMPQS-VLEAKVRGSA-N	-1	0	273.354	0.515	20	30		CCEDRM
N#Cc1nc(NC(=O)c2cncc(F)c2)[n-]c1-c1nn[nH]n1	ZINC000822815286	607038829	/nfs/dbraw/zinc/03/88/29/607038829.db2.gz	OJJCRGCZGSIDBR-UHFFFAOYSA-N	-1	0	299.229	0.248	20	30		CCEDRM
N#Cc1nc(NC(=O)[C@@H]2CC23CCC3)[n-]c1-c1nn[nH]n1	ZINC000822815696	607142818	/nfs/dbraw/zinc/14/28/18/607142818.db2.gz	XPMMAIRYWVKRDU-LURJTMIESA-N	-1	0	284.283	0.590	20	30		CCEDRM
C#CC[C@H](NC(=O)CCC1CCOCC1)C(=O)[O-]	ZINC000910054253	613067660	/nfs/dbraw/zinc/06/76/60/613067660.db2.gz	KTQNLUCFOUFZEF-NSHDSACASA-N	-1	0	253.298	0.786	20	30		CCEDRM
C#CC[C@H](NC(=O)c1ccc(OC(F)F)cn1)C(=O)[O-]	ZINC000910051026	613070241	/nfs/dbraw/zinc/07/02/41/613070241.db2.gz	QLFIXYAULLGHGP-VIFPVBQESA-N	-1	0	284.218	0.889	20	30		CCEDRM
Cc1cc(C)n(N=Cc2c[nH]cn2)c(=O)c1-c1nnn[n-]1	ZINC000826265573	607885457	/nfs/dbraw/zinc/88/54/57/607885457.db2.gz	FRSDUFHJRIVGGX-UHFFFAOYSA-N	-1	0	284.283	0.251	20	30		CCEDRM
C#C[C@@H](NC(=O)[C@H]1CC[C@@H](C(=O)[O-])C1)[C@@H]1CCCO1	ZINC000911581740	613098556	/nfs/dbraw/zinc/09/85/56/613098556.db2.gz	ZPUFWNOFEIPIAC-QCNOEVLYSA-N	-1	0	265.309	0.784	20	30		CCEDRM
C=CCC(F)(F)C(=O)[N-]S(=O)(=O)CC(F)F	ZINC000851363414	613454846	/nfs/dbraw/zinc/45/48/46/613454846.db2.gz	NAQZQSKIERSTRS-UHFFFAOYSA-N	-1	0	263.212	0.909	20	30		CCEDRM
C#CCC(C)(C)C(=O)[N-]S(=O)(=O)c1c(C)cnn1C	ZINC000813988694	612966063	/nfs/dbraw/zinc/96/60/63/612966063.db2.gz	OBAPQNADAGPPAY-UHFFFAOYSA-N	-1	0	283.353	0.583	20	30		CCEDRM
CC(C)[C@@H](C#N)NC(=O)[C@@H]1CN(C(=O)[O-])CCO1	ZINC000824054673	614072182	/nfs/dbraw/zinc/07/21/82/614072182.db2.gz	BOKRMVGUOHQWCK-BDAKNGLRSA-N	-1	0	255.274	0.030	20	30		CCEDRM
CC(C)(C#N)CS(=O)(=O)N1CSC[C@@H]1C(=O)[O-]	ZINC000905986317	614286842	/nfs/dbraw/zinc/28/68/42/614286842.db2.gz	RZTUWBMLPQYBKZ-SSDOTTSWSA-N	-1	0	278.355	0.325	20	30		CCEDRM
COc1ccc(C=NNCC(=O)[O-])c(OC)c1OC	ZINC000814957049	617238303	/nfs/dbraw/zinc/23/83/03/617238303.db2.gz	SVDIDXWVNSMWMC-UHFFFAOYSA-N	-1	0	268.269	0.721	20	30		CCEDRM
COc1ccc(C=NN(C)[C@H](C)CO)c(OCC(=O)[O-])c1	ZINC000842540401	617238310	/nfs/dbraw/zinc/23/83/10/617238310.db2.gz	KQFKQLFXBPXKLX-SNVBAGLBSA-N	-1	0	296.323	0.805	20	30		CCEDRM
COc1ccc(CNC(=O)[C@@H](C)C(=O)[O-])cc1C#N	ZINC000902692983	617255166	/nfs/dbraw/zinc/25/51/66/617255166.db2.gz	JVTCKZDIKQNBFI-MRVPVSSYSA-N	-1	0	262.265	0.904	20	30		CCEDRM
CSc1cccnc1C(=O)[N-]S(=O)(=O)CCC#N	ZINC000845561648	617281387	/nfs/dbraw/zinc/28/13/87/617281387.db2.gz	WRARTWOLRSYDHD-UHFFFAOYSA-N	-1	0	285.350	0.777	20	30		CCEDRM
CSc1nccnc1C(=O)N[C@H]1CCCN(O)C1=O	ZINC000908403089	617285977	/nfs/dbraw/zinc/28/59/77/617285977.db2.gz	MTAGYRDHAHUZNE-ZETCQYMHSA-N	-1	0	282.325	0.309	20	30		CCEDRM
C#CC1(NC(=O)Cn2[n-]cc3c(=O)ncnc2-3)CCCC1	ZINC000882535310	612949533	/nfs/dbraw/zinc/94/95/33/612949533.db2.gz	SXXVBAUKPCKXID-UHFFFAOYSA-N	-1	0	285.307	0.133	20	30		CCEDRM
C#CCNC(=O)[C@H](C)OC(=O)c1cccc(C(=O)[O-])c1	ZINC000819701080	612951702	/nfs/dbraw/zinc/95/17/02/612951702.db2.gz	ZYLVEGDSFBDNHI-VIFPVBQESA-N	-1	0	275.260	0.680	20	30		CCEDRM
C#CCCCCNC(=O)C(=O)N1CC[C@@H](C(=O)[O-])[C@H](C)C1	ZINC000861715166	612977153	/nfs/dbraw/zinc/97/71/53/612977153.db2.gz	JSCJHBOLAQOQSL-VXGBXAGGSA-N	-1	0	294.351	0.475	20	30		CCEDRM
C#CCOCCC(=O)N1CCCC[C@@H]1CC(=O)[O-]	ZINC000833364545	612977606	/nfs/dbraw/zinc/97/76/06/612977606.db2.gz	UOMNENGRDCKTGW-LLVKDONJSA-N	-1	0	253.298	0.882	20	30		CCEDRM
C#CCOCCC(=O)NC1(CC(=O)[O-])CCOCC1	ZINC000833364549	612979056	/nfs/dbraw/zinc/97/90/56/612979056.db2.gz	UQFVXXKSHWCAIX-UHFFFAOYSA-N	-1	0	269.297	0.166	20	30		CCEDRM
C#CCCCNC(=O)C(=O)Nc1ccc(F)c(C(=O)[O-])c1	ZINC000825605708	612980929	/nfs/dbraw/zinc/98/09/29/612980929.db2.gz	NRAQRYLOWLQYPR-UHFFFAOYSA-N	-1	0	292.266	0.992	20	30		CCEDRM
C#CCCCNC(=O)N1CC[C@@H](N(C)C(=O)[O-])C1	ZINC000823444048	612981593	/nfs/dbraw/zinc/98/15/93/612981593.db2.gz	CIHRYPILHGANGE-SNVBAGLBSA-N	-1	0	253.302	0.794	20	30		CCEDRM
C#CCOCCn1[n-]c(=O)c(Cl)c(Cl)c1=O	ZINC000918245316	612991528	/nfs/dbraw/zinc/99/15/28/612991528.db2.gz	YJVXIUQNHVGTAR-UHFFFAOYSA-N	-1	0	263.080	0.906	20	30		CCEDRM
C#CCO[N-]C(=O)CNC(=O)c1cc2ccccc2[nH]1	ZINC000812781769	612992042	/nfs/dbraw/zinc/99/20/42/612992042.db2.gz	FGSOXHNXXMXVSK-UHFFFAOYSA-N	-1	0	271.276	0.579	20	30		CCEDRM
C#CCO[N-]C(=O)Cc1csc(S[C@H](C)C(N)=O)n1	ZINC000880080072	612992464	/nfs/dbraw/zinc/99/24/64/612992464.db2.gz	ZFMWZHLCXFATBB-SSDOTTSWSA-N	-1	0	299.377	0.333	20	30		CCEDRM
C#CCO[N-]C(=O)[C@@H](NC(=O)NC(C)(C)C)C(C)C	ZINC000812782322	612992490	/nfs/dbraw/zinc/99/24/90/612992490.db2.gz	WJJBGOGHQWZGDH-JTQLQIEISA-N	-1	0	269.345	0.790	20	30		CCEDRM
C#CCO[N-]C(=O)Cn1ncc2ccc([N+](=O)[O-])cc21	ZINC000812782896	612992522	/nfs/dbraw/zinc/99/25/22/612992522.db2.gz	OANJVGHUZJJYPR-UHFFFAOYSA-N	-1	0	274.236	0.626	20	30		CCEDRM
C#CCO[N-]C(=O)c1nn(-c2ccccc2)c(C)cc1=O	ZINC000812786343	612993726	/nfs/dbraw/zinc/99/37/26/612993726.db2.gz	HEDXRVNVDWHKJW-UHFFFAOYSA-N	-1	0	283.287	0.836	20	30		CCEDRM
C#CCO[C@@H](C)C(=O)NCc1cc(C(=O)[O-])co1	ZINC000910311448	612996396	/nfs/dbraw/zinc/99/63/96/612996396.db2.gz	ZONYIODPXQKFFA-QMMMGPOBSA-N	-1	0	251.238	0.632	20	30		CCEDRM
C#CCO[C@H](C)C(=O)N1CCc2occc2[C@H]1C(=O)[O-]	ZINC000910206373	613000337	/nfs/dbraw/zinc/00/03/37/613000337.db2.gz	RSOKFBCAIQHELO-SKDRFNHKSA-N	-1	0	277.276	0.828	20	30		CCEDRM
C#CCO[C@H](C)C(=O)N[C@@H](CC(F)(F)F)C(=O)[O-]	ZINC000909670553	613002490	/nfs/dbraw/zinc/00/24/90/613002490.db2.gz	MMORWFJJFNGUNP-RQJHMYQMSA-N	-1	0	267.203	0.547	20	30		CCEDRM
C#CCCN1CCN(C(=O)[C@@H](NC(=O)[O-])C(C)(C)C)CC1	ZINC000823444773	613009732	/nfs/dbraw/zinc/00/97/32/613009732.db2.gz	QCHRHHRJPXGEPE-GFCCVEGCSA-N	-1	0	295.383	0.836	20	30		CCEDRM
C#CC[C@@H](CO)NC(=O)Cc1cccc(C(=O)[O-])c1	ZINC000911395163	613024436	/nfs/dbraw/zinc/02/44/36/613024436.db2.gz	NAEHLLAGURYXSU-LBPRGKRZSA-N	-1	0	261.277	0.428	20	30		CCEDRM
C#CC[C@@H](NC(=O)Cc1c(CC)noc1CC)C(=O)[O-]	ZINC000910053991	613040304	/nfs/dbraw/zinc/04/03/04/613040304.db2.gz	GWYBXXNRLPSEBU-LLVKDONJSA-N	-1	0	278.308	0.935	20	30		CCEDRM
C#CC[C@@H](NC(=O)Cn1ncc2cc(C)cnc21)C(=O)[O-]	ZINC000907719841	613040556	/nfs/dbraw/zinc/04/05/56/613040556.db2.gz	VATCPIFQKCRZKG-LLVKDONJSA-N	-1	0	286.291	0.332	20	30		CCEDRM
C#CC[C@@H](NC(=O)c1ccccc1OCCOC)C(=O)[O-]	ZINC000910053385	613041936	/nfs/dbraw/zinc/04/19/36/613041936.db2.gz	SIPNTRTWTXAPRA-GFCCVEGCSA-N	-1	0	291.303	0.918	20	30		CCEDRM
C#CC[C@@H](NC(=O)c1cnc(C(F)(F)F)nc1)C(=O)[O-]	ZINC000910045453	613042271	/nfs/dbraw/zinc/04/22/71/613042271.db2.gz	DWQFLOHNXUYUIC-SSDOTTSWSA-N	-1	0	287.197	0.702	20	30		CCEDRM
C#CCCNS(=O)(=O)c1cc(F)cc(C(=O)[O-])c1	ZINC000833365655	613048137	/nfs/dbraw/zinc/04/81/37/613048137.db2.gz	WMGUKWLJPZOOPA-UHFFFAOYSA-N	-1	0	271.269	0.826	20	30		CCEDRM
C#CCCNS(=O)(=O)N=S(=O)(CC)CC	ZINC000866784904	613048164	/nfs/dbraw/zinc/04/81/64/613048164.db2.gz	JNRMMHQMQVXOGG-UHFFFAOYSA-N	-1	0	252.361	0.352	20	30		CCEDRM
C#CCCOc1ccc(C(=O)NCC(=O)[N-]OCC)cc1	ZINC000846492209	613051052	/nfs/dbraw/zinc/05/10/52/613051052.db2.gz	YSLCWCQTMLATIW-UHFFFAOYSA-N	-1	0	290.319	0.886	20	30		CCEDRM
C#CCCS(=O)(=O)[N-]C(=O)c1c(C)nn2cccnc12	ZINC000810779710	613053330	/nfs/dbraw/zinc/05/33/30/613053330.db2.gz	YMIOEGATSATCOG-UHFFFAOYSA-N	-1	0	292.320	0.121	20	30		CCEDRM
C#CCCS(=O)(=O)[N-]C(=O)c1c(C)coc1C	ZINC000810782626	613053388	/nfs/dbraw/zinc/05/33/88/613053388.db2.gz	QEDWJJZDGGALQJ-UHFFFAOYSA-N	-1	0	255.295	0.979	20	30		CCEDRM
C#CCCS(=O)(=O)[N-]C(=O)c1cccc(NC(C)=O)c1	ZINC000810782749	613053554	/nfs/dbraw/zinc/05/35/54/613053554.db2.gz	WWDVNCZZZYRSSR-UHFFFAOYSA-N	-1	0	294.332	0.728	20	30		CCEDRM
C#CCCS(=O)(=O)[N-]C(=O)c1cc2c(s1)CCOC2	ZINC000788070804	613053564	/nfs/dbraw/zinc/05/35/64/613053564.db2.gz	LHNHVRMNFOVLEX-UHFFFAOYSA-N	-1	0	299.373	0.904	20	30		CCEDRM
C#CCCS(=O)(=O)NCc1cc(=O)[nH]c(C2CCC2)n1	ZINC000918839890	613054613	/nfs/dbraw/zinc/05/46/13/613054613.db2.gz	WOEABMHZFFOTOT-UHFFFAOYSA-N	-1	0	295.364	0.892	20	30		CCEDRM
C#CCN(C(=O)Cn1cc(C(=O)[O-])cn1)C1CCCC1	ZINC000864130583	613066502	/nfs/dbraw/zinc/06/65/02/613066502.db2.gz	WOPKQICYYKSFLU-UHFFFAOYSA-N	-1	0	275.308	0.986	20	30		CCEDRM
C#CC[C@H](NC(=O)C1(OCC)CCOCC1)C(=O)[O-]	ZINC000910045931	613067472	/nfs/dbraw/zinc/06/74/72/613067472.db2.gz	HOLWWBIAVTYPNF-JTQLQIEISA-N	-1	0	269.297	0.165	20	30		CCEDRM
C#CC[C@H](NC(=O)CCOC1CCOCC1)C(=O)[O-]	ZINC000910045989	613067689	/nfs/dbraw/zinc/06/76/89/613067689.db2.gz	JBSPLZJLTFKVDH-NSHDSACASA-N	-1	0	269.297	0.165	20	30		CCEDRM
C#CC[C@H](NC(=O)C[C@H](OC)C(F)(F)F)C(=O)[O-]	ZINC000910046555	613068132	/nfs/dbraw/zinc/06/81/32/613068132.db2.gz	SDAVKRSUHFHDHA-BQBZGAKWSA-N	-1	0	267.203	0.547	20	30		CCEDRM
C#CC[C@H](NC(=O)[C@@H]1C[C@]1(C)Br)C(=O)[O-]	ZINC000910050204	613068983	/nfs/dbraw/zinc/06/89/83/613068983.db2.gz	HAFIBMZEGWOAGW-BYULHYEWSA-N	-1	0	274.114	0.753	20	30		CCEDRM
C#CC[C@H](NC(=O)[C@H](O)c1cccc(OC)c1)C(=O)[O-]	ZINC000910052446	613069506	/nfs/dbraw/zinc/06/95/06/613069506.db2.gz	YAIYXZZDPYCHKN-NWDGAFQWSA-N	-1	0	277.276	0.321	20	30		CCEDRM
C#CC[C@H]1CCCN(S(=O)(=O)c2ncc[n-]2)C1	ZINC000867448971	613072644	/nfs/dbraw/zinc/07/26/44/613072644.db2.gz	SYQUPVMZYLMKSE-JTQLQIEISA-N	-1	0	253.327	0.834	20	30		CCEDRM
C#CCn1cc(CNC(=O)CCCCC(=O)[O-])cn1	ZINC000911716234	613076819	/nfs/dbraw/zinc/07/68/19/613076819.db2.gz	GHZDGCZFFCXVDE-UHFFFAOYSA-N	-1	0	263.297	0.778	20	30		CCEDRM
C#C[C@@H](NC(=O)c1cc(C(=O)[O-])ccn1)C1CCOCC1	ZINC000911788722	613098694	/nfs/dbraw/zinc/09/86/94/613098694.db2.gz	DQSHXRIBAAMWRG-GFCCVEGCSA-N	-1	0	288.303	0.938	20	30		CCEDRM
C#C[C@@H]([N-]S(=O)(=O)c1ncccc1[N+](=O)[O-])C(C)C	ZINC000849390891	613100733	/nfs/dbraw/zinc/10/07/33/613100733.db2.gz	COPCSONKGIPJCO-SECBINFHSA-N	-1	0	283.309	0.926	20	30		CCEDRM
C#CCN(CC)C(=O)C(=O)Nc1ccccc1CC(=O)[O-]	ZINC000817668509	613105231	/nfs/dbraw/zinc/10/52/31/613105231.db2.gz	HLIMAIHMKLOHGM-UHFFFAOYSA-N	-1	0	288.303	0.734	20	30		CCEDRM
C#C[C@H](NC(=O)CCCCC(=O)[O-])[C@H]1CCCO1	ZINC000911578832	613132712	/nfs/dbraw/zinc/13/27/12/613132712.db2.gz	KZRDQODPGAVHCV-WDEREUQCSA-N	-1	0	253.298	0.928	20	30		CCEDRM
C#C[C@H](NC(=O)CC[C@@H]1C[C@H](C(=O)[O-])CO1)[C@@H]1CCCO1	ZINC000911579734	613133076	/nfs/dbraw/zinc/13/30/76/613133076.db2.gz	PGNOANMYDULIDL-RNJOBUHISA-N	-1	0	295.335	0.553	20	30		CCEDRM
C#C[C@H](NC(=O)[C@H]1CC[C@@H](CCC(=O)[O-])O1)[C@H]1CCCO1	ZINC000911578890	613147519	/nfs/dbraw/zinc/14/75/19/613147519.db2.gz	MJUDLXGISPSLQP-WUHRBBMRSA-N	-1	0	295.335	0.696	20	30		CCEDRM
COc1ccccc1C(F)(F)C(=O)NCC(=O)NCC#N	ZINC000854448617	617313732	/nfs/dbraw/zinc/31/37/32/617313732.db2.gz	YWSUOQPNLSCXTF-UHFFFAOYSA-N	-1	0	297.261	0.543	20	30		CCEDRM
C#C[C@H]1COCCN1S(=O)(=O)c1cc(OC)ccc1O	ZINC000867386980	613163412	/nfs/dbraw/zinc/16/34/12/613163412.db2.gz	KWZOWRGIJISNJX-JTQLQIEISA-N	-1	0	297.332	0.424	20	30		CCEDRM
C#Cc1ccc(C(=O)N[C@@]2(C(=O)[O-])CCSC2)cn1	ZINC000833368119	613187876	/nfs/dbraw/zinc/18/78/76/613187876.db2.gz	HJELZONVMBTYPD-ZDUSSCGKSA-N	-1	0	276.317	0.753	20	30		CCEDRM
C#Cc1cccc(CNC(=O)N2CC(C(=O)[O-])C2)c1	ZINC000857100573	613199739	/nfs/dbraw/zinc/19/97/39/613199739.db2.gz	GLHIZNUSYGDSQB-UHFFFAOYSA-N	-1	0	258.277	0.894	20	30		CCEDRM
C=C(Br)Cn1nc(C(=O)[O-])ccc1=O	ZINC000129587651	613239594	/nfs/dbraw/zinc/23/95/94/613239594.db2.gz	VJGQZDRTOBVNOH-UHFFFAOYSA-N	-1	0	259.059	0.850	20	30		CCEDRM
C=C(C)C(C)(C)C(=O)N[C@H](C)C(=O)N[C@@H](C)C(=O)[O-]	ZINC000910745288	613244498	/nfs/dbraw/zinc/24/44/98/613244498.db2.gz	HRWSEVSUMXIZKL-BDAKNGLRSA-N	-1	0	270.329	0.683	20	30		CCEDRM
C=C(C)C(C)(C)C(=O)[N-]S(=O)(=O)c1cnn(C)c1	ZINC000819935393	613244581	/nfs/dbraw/zinc/24/45/81/613244581.db2.gz	APEFRJLKDIFYAO-UHFFFAOYSA-N	-1	0	271.342	0.827	20	30		CCEDRM
C=C(C)COCCNC(=S)NCCCC(=O)[O-]	ZINC000825647614	613352226	/nfs/dbraw/zinc/35/22/26/613352226.db2.gz	RXXQSNVYLKYYTE-UHFFFAOYSA-N	-1	0	260.359	0.908	20	30		CCEDRM
C=C(C)CO[N-]C(=O)C(=O)Nc1cc(N(C)C)ncn1	ZINC000846145996	613352413	/nfs/dbraw/zinc/35/24/13/613352413.db2.gz	FDUSNQJVCMXINK-UHFFFAOYSA-N	-1	0	279.300	0.105	20	30		CCEDRM
C=C(C)CO[N-]C(=O)CS(=O)(=O)C1CCCC1	ZINC000846539037	613352542	/nfs/dbraw/zinc/35/25/42/613352542.db2.gz	WNEYRHOEELMLCA-UHFFFAOYSA-N	-1	0	261.343	0.968	20	30		CCEDRM
C=C(C)CO[N-]C(=O)[C@@H](CCC)S(N)(=O)=O	ZINC000855026287	613353862	/nfs/dbraw/zinc/35/38/62/613353862.db2.gz	AIJSVFSXGFRCSA-MRVPVSSYSA-N	-1	0	250.320	0.068	20	30		CCEDRM
C=C(C)C[C@@H](NC(=O)/C=C\c1cnn(C)c1)C(=O)[O-]	ZINC000864187057	613355710	/nfs/dbraw/zinc/35/57/10/613355710.db2.gz	CUBVRGIJBYVIND-DOGVGXBMSA-N	-1	0	263.297	0.969	20	30		CCEDRM
C=C(C)C[C@@H](NC(=O)[C@@H](O)c1cccnc1)C(=O)[O-]	ZINC000910286684	613356006	/nfs/dbraw/zinc/35/60/06/613356006.db2.gz	KSVLUDTVKFQKJB-MNOVXSKESA-N	-1	0	264.281	0.651	20	30		CCEDRM
C=C(C)C[C@@H](NC(=O)[C@H]1CSCN1C(C)=O)C(=O)[O-]	ZINC000864187411	613356117	/nfs/dbraw/zinc/35/61/17/613356117.db2.gz	KNALXBQOIZYWIU-NXEZZACHSA-N	-1	0	286.353	0.443	20	30		CCEDRM
C=C(C)C[C@H](NC(=O)NCc1ccnn1C)C(=O)[O-]	ZINC000908837872	613358866	/nfs/dbraw/zinc/35/88/66/613358866.db2.gz	DKBSDVSOBSPJJB-JTQLQIEISA-N	-1	0	266.301	0.639	20	30		CCEDRM
C=C(C)C[C@H](NC(=O)[C@@H]1C[C@]12CCOC2)C(=O)[O-]	ZINC000910294997	613358931	/nfs/dbraw/zinc/35/89/31/613358931.db2.gz	TVJPMGAFDMVIMA-KWBADKCTSA-N	-1	0	253.298	0.949	20	30		CCEDRM
C=C(C)C[C@H](NC(C)=O)C(=O)NCCc1n[n-]c(=S)o1	ZINC000832362587	613359358	/nfs/dbraw/zinc/35/93/58/613359358.db2.gz	BXWJBIBFQIIYSE-VIFPVBQESA-N	-1	0	298.368	0.488	20	30		CCEDRM
C=C(C)[C@@H](CC(=O)[N-]S(=O)(=O)CC#CC)OCC	ZINC000810773319	613360170	/nfs/dbraw/zinc/36/01/70/613360170.db2.gz	ZFLUFIHADPEXTF-LLVKDONJSA-N	-1	0	273.354	0.827	20	30		CCEDRM
C=C(C)[C@H]1OCC[C@@H]1CNS(=O)(=O)N=S(C)(C)=O	ZINC000867223313	613362771	/nfs/dbraw/zinc/36/27/71/613362771.db2.gz	XDWCPRZZMGXTOL-NXEZZACHSA-N	-1	0	296.414	0.530	20	30		CCEDRM
C=C(Cl)C[C@@H](NC(=O)CCCS(C)(=O)=O)C(=O)[O-]	ZINC000864183380	613388413	/nfs/dbraw/zinc/38/84/13/613388413.db2.gz	JNXDVYYJERSULQ-MRVPVSSYSA-N	-1	0	297.760	0.523	20	30		CCEDRM
C=C(Cl)C[C@@H](NC(=O)[C@H](C)n1cncn1)C(=O)[O-]	ZINC000864183727	613388558	/nfs/dbraw/zinc/38/85/58/613388558.db2.gz	HWGQWHDEVGOXIV-JGVFFNPUSA-N	-1	0	272.692	0.551	20	30		CCEDRM
C=C(Cl)C[C@@H](NC(=O)NCc1ccn(C)n1)C(=O)[O-]	ZINC000908962090	613388564	/nfs/dbraw/zinc/38/85/64/613388564.db2.gz	ICJINGBBGVRGEK-SECBINFHSA-N	-1	0	286.719	0.815	20	30		CCEDRM
C=C(Cl)C[C@@H](NS(=O)(=O)CCCCOC)C(=O)[O-]	ZINC000863421479	613388729	/nfs/dbraw/zinc/38/87/29/613388729.db2.gz	YMBQNEKQESCEPG-SECBINFHSA-N	-1	0	299.776	0.928	20	30		CCEDRM
C=C(Cl)C[C@H](NC(=O)NC[C@H](C)OC)C(=O)[O-]	ZINC000864527819	613390683	/nfs/dbraw/zinc/39/06/83/613390683.db2.gz	GXQLLLQBUVVZKQ-YUMQZZPRSA-N	-1	0	264.709	0.916	20	30		CCEDRM
C=C(Cl)C[C@H](NC(=O)Cc1cncn1C)C(=O)[O-]	ZINC000910270656	613390725	/nfs/dbraw/zinc/39/07/25/613390725.db2.gz	JOJAEKSSTDHGFJ-VIFPVBQESA-N	-1	0	271.704	0.675	20	30		CCEDRM
C=CCSCCNC(=O)Cn1ccc(C(=O)[O-])n1	ZINC000909544978	613395317	/nfs/dbraw/zinc/39/53/17/613395317.db2.gz	WMXQHJTZSAPFHO-UHFFFAOYSA-N	-1	0	269.326	0.617	20	30		CCEDRM
C=CC[C@@H](CO)CNC(=O)c1ccc(-c2nn[nH]n2)cn1	ZINC000823888477	613402138	/nfs/dbraw/zinc/40/21/38/613402138.db2.gz	NJDLZTQPZNQRLN-SECBINFHSA-N	-1	0	288.311	0.176	20	30		CCEDRM
C=CC[C@@H](CO)CNS(=O)(=O)CC1(CC(=O)[O-])CC1	ZINC000833369805	613403229	/nfs/dbraw/zinc/40/32/29/613403229.db2.gz	FQHWAURKPKZDMU-SNVBAGLBSA-N	-1	0	291.369	0.345	20	30		CCEDRM
CC(=O)N1CCN(C(=O)[C@](C)(C#N)CC(=O)[O-])[C@@H](C)C1	ZINC000819730999	613411779	/nfs/dbraw/zinc/41/17/79/613411779.db2.gz	CGQATWNUVHGIPL-ZANVPECISA-N	-1	0	281.312	0.070	20	30		CCEDRM
C=C1CCC(CNC(=O)C(=O)N[C@H]2C[C@@H](C(=O)[O-])C2)CC1	ZINC000927947120	613413346	/nfs/dbraw/zinc/41/33/46/613413346.db2.gz	IQKTWUWKPNBWFW-TXEJJXNPSA-N	-1	0	294.351	0.828	20	30		CCEDRM
C=CC[C@H](CO)CNC(=O)[C@@H](CC(C)C)NC(=O)[O-]	ZINC000833369907	613415616	/nfs/dbraw/zinc/41/56/16/613415616.db2.gz	HEDGOYKMGABVRZ-WDEREUQCSA-N	-1	0	272.345	0.970	20	30		CCEDRM
C=CC[C@H](CO)CNC(=O)c1ccoc1CC(=O)[O-]	ZINC000911651587	613416232	/nfs/dbraw/zinc/41/62/32/613416232.db2.gz	RUKWCIOPUURZKV-VIFPVBQESA-N	-1	0	267.281	0.821	20	30		CCEDRM
C=CC(C)(C)C(=O)N1CC[C@@H](N(C)Cc2n[nH]c(=O)[n-]2)C1	ZINC000972082466	613434673	/nfs/dbraw/zinc/43/46/73/613434673.db2.gz	OCWQRSXOZNWOGT-SNVBAGLBSA-N	-1	0	293.371	0.755	20	30		CCEDRM
C=C[C@@H](C)O[N-]C(=O)C(=O)Nc1cc(C)n(C)n1	ZINC000846153894	613443128	/nfs/dbraw/zinc/44/31/28/613443128.db2.gz	MKFDDXHUJZQWAP-MRVPVSSYSA-N	-1	0	252.274	0.289	20	30		CCEDRM
C=C[C@@H](C)O[N-]C(=O)C(=O)Nc1cnn(CCC)c1	ZINC000846153988	613443207	/nfs/dbraw/zinc/44/32/07/613443207.db2.gz	LCBWHRJZVVFKFU-SECBINFHSA-N	-1	0	266.301	0.854	20	30		CCEDRM
C=C[C@@H](C)O[N-]C(=O)C(=O)Nc1ccnc(OC)c1	ZINC000846157587	613443213	/nfs/dbraw/zinc/44/32/13/613443213.db2.gz	VQKBEHXOKMDXMA-MRVPVSSYSA-N	-1	0	265.269	0.651	20	30		CCEDRM
C=C[C@@H](C)O[N-]C(=O)C(=O)Nc1ccn([C@H](C)COC)n1	ZINC000846152741	613443284	/nfs/dbraw/zinc/44/32/84/613443284.db2.gz	CYUNADYKRLBYFP-NXEZZACHSA-N	-1	0	296.327	0.651	20	30		CCEDRM
C=C[C@@H](C)O[N-]C(=O)CN(C)CC(=O)NC(C)C	ZINC000846542665	613443473	/nfs/dbraw/zinc/44/34/73/613443473.db2.gz	FWKIOURYOIUYTE-SNVBAGLBSA-N	-1	0	257.334	0.065	20	30		CCEDRM
C=C[C@@H](C)O[N-]C(=O)CS(=O)(=O)N(CC)CC	ZINC000846543630	613443659	/nfs/dbraw/zinc/44/36/59/613443659.db2.gz	AJUGMQNOCAZISJ-SECBINFHSA-N	-1	0	264.347	0.280	20	30		CCEDRM
C=C[C@@H](C)ONC(=O)Cc1cccc(OCC(=O)NC)c1	ZINC000846546275	613443672	/nfs/dbraw/zinc/44/36/72/613443672.db2.gz	AWDXCIUIUNNTQE-LLVKDONJSA-N	-1	0	292.335	0.976	20	30		CCEDRM
C=CC(C)(C)C(=O)NCCn1cnc(C(=O)[O-])c1	ZINC000909914438	613444151	/nfs/dbraw/zinc/44/41/51/613444151.db2.gz	RKXXIIHMGWGVIE-UHFFFAOYSA-N	-1	0	251.286	0.910	20	30		CCEDRM
C=CC(C)(C)C(=O)[N-]S(=O)(=O)c1cnc(OC)nc1	ZINC000893773995	613444382	/nfs/dbraw/zinc/44/43/82/613444382.db2.gz	YAVMZRIPLDHLBH-UHFFFAOYSA-N	-1	0	285.325	0.502	20	30		CCEDRM
C=C[C@@H](O)C(=O)N1CC[C@](C(=O)[O-])(c2ccccc2)C1	ZINC000909858505	613450581	/nfs/dbraw/zinc/45/05/81/613450581.db2.gz	QNIXAYYQFKLIHR-IUODEOHRSA-N	-1	0	275.304	0.788	20	30		CCEDRM
C=CC1(S(=O)(=O)[N-]C(=O)[C@@H](C)OCCOCC)CC1	ZINC000870832542	613450887	/nfs/dbraw/zinc/45/08/87/613450887.db2.gz	KXVWRGMHLWYQLJ-SNVBAGLBSA-N	-1	0	291.369	0.593	20	30		CCEDRM
C=CC1(S(=O)(=O)[N-]C(=O)[C@@H]2C[C@H]2OCC)CC1	ZINC000870832924	613451282	/nfs/dbraw/zinc/45/12/82/613451282.db2.gz	HXBRUAHNUZXXHH-RKDXNWHRSA-N	-1	0	259.327	0.576	20	30		CCEDRM
C=CC1(S(=O)(=O)[N-]C(=O)c2ccnn2CC)CC1	ZINC000870835387	613451881	/nfs/dbraw/zinc/45/18/81/613451881.db2.gz	BMVVZBLIYZRVKS-UHFFFAOYSA-N	-1	0	269.326	0.681	20	30		CCEDRM
C=CC1(S(=O)(=O)[N-]C(=O)[C@H]2C[C@@H](C)CO2)CC1	ZINC000893305409	613451883	/nfs/dbraw/zinc/45/18/83/613451883.db2.gz	QIORUHHGQCLICV-RKDXNWHRSA-N	-1	0	259.327	0.576	20	30		CCEDRM
C=CCC(CC=C)C(=O)[N-]S(=O)(=O)CCC(=O)OC	ZINC000842357016	613453474	/nfs/dbraw/zinc/45/34/74/613453474.db2.gz	QCPBMBZDLCXAPI-UHFFFAOYSA-N	-1	0	289.353	0.764	20	30		CCEDRM
C=CCC(CC=C)C(=O)N1CC[C@](O)(C(=O)[O-])C1	ZINC000910529503	613453533	/nfs/dbraw/zinc/45/35/33/613453533.db2.gz	OQGYIUJQKURGCL-CYBMUJFWSA-N	-1	0	253.298	0.803	20	30		CCEDRM
C=CCC(F)(F)C(=O)N1CCOC[C@@H]1c1nnn[n-]1	ZINC000913499571	613454077	/nfs/dbraw/zinc/45/40/77/613454077.db2.gz	WHBYOAKMMOJGJH-SSDOTTSWSA-N	-1	0	273.243	0.311	20	30		CCEDRM
C=CCC1(C(=O)[O-])CN(S(=O)(=O)N2CC[C@H](C)C2)C1	ZINC000906007007	613456945	/nfs/dbraw/zinc/45/69/45/613456945.db2.gz	PILIUXLEFXNGHY-JTQLQIEISA-N	-1	0	288.369	0.536	20	30		CCEDRM
C=CCCC(=O)N1CCC[C@@H]1C(=O)NCC(=O)[O-]	ZINC000910760144	613461696	/nfs/dbraw/zinc/46/16/96/613461696.db2.gz	HJKZUUZXUSNXJJ-SECBINFHSA-N	-1	0	254.286	0.144	20	30		CCEDRM
C=CCCC(=O)Cn1nc(C)c(C)c(-c2nnn[n-]2)c1=O	ZINC000823888371	613462084	/nfs/dbraw/zinc/46/20/84/613462084.db2.gz	KMOXWVYYUSTFOK-UHFFFAOYSA-N	-1	0	288.311	0.576	20	30		CCEDRM
C=C[C@@H]1OCC[C@H]1C(=O)N1CCSC[C@@H]1c1nnn[n-]1	ZINC000907481686	613463600	/nfs/dbraw/zinc/46/36/00/613463600.db2.gz	YAVZUSBZWCNQKG-BBBLOLIVSA-N	-1	0	295.368	0.407	20	30		CCEDRM
C=CCCCC(=O)N(CCN1CCOCC1)CC(=O)[O-]	ZINC000825665392	613464426	/nfs/dbraw/zinc/46/44/26/613464426.db2.gz	ZVCNOJLGTRBTRQ-UHFFFAOYSA-N	-1	0	284.356	0.588	20	30		CCEDRM
C=CCCCC(=O)N(CCC(=O)OC)CC(=O)[O-]	ZINC000902719437	613464440	/nfs/dbraw/zinc/46/44/40/613464440.db2.gz	SNBDKHIHYKJZHS-UHFFFAOYSA-N	-1	0	257.286	0.819	20	30		CCEDRM
C=C[C@@H]1OCC[C@H]1CNC(=O)N1C[C@@H](F)C[C@H]1C(=O)[O-]	ZINC000909237225	613468886	/nfs/dbraw/zinc/46/88/86/613468886.db2.gz	GBEWNWASEUWXPT-NAKRPEOUSA-N	-1	0	286.303	0.784	20	30		CCEDRM
C=CCCC[C@H](NC(=O)Cn1ccnc1)C(=O)[O-]	ZINC000910914360	613473228	/nfs/dbraw/zinc/47/32/28/613473228.db2.gz	GLFRTKOAJWTCOW-JTQLQIEISA-N	-1	0	251.286	0.809	20	30		CCEDRM
C=CCCC[C@H](NC(=O)NC[C@@H]1COCCO1)C(=O)[O-]	ZINC000905534093	613473500	/nfs/dbraw/zinc/47/35/00/613473500.db2.gz	HIZMEFUMSLTCDK-MNOVXSKESA-N	-1	0	286.328	0.511	20	30		CCEDRM
C=CCCC[C@H](NC(=O)[C@]1(C)C[C@H](O)CN1C)C(=O)[O-]	ZINC000910927475	613474135	/nfs/dbraw/zinc/47/41/35/613474135.db2.gz	ZNTHZBVNYXXHHD-MJVIPROJSA-N	-1	0	284.356	0.367	20	30		CCEDRM
C=CCCC[C@H](NC(=O)[C@H]1COCCN1CC)C(=O)[O-]	ZINC000910923206	613474278	/nfs/dbraw/zinc/47/42/78/613474278.db2.gz	QPRWNUGIUBJBDF-NWDGAFQWSA-N	-1	0	284.356	0.633	20	30		CCEDRM
C=CCCC[C@H](NC(=O)[C@H]1OCCO[C@H]1C)C(=O)[O-]	ZINC000910922412	613474376	/nfs/dbraw/zinc/47/43/76/613474376.db2.gz	JNQPFKZGCOVAJI-DCAQKATOSA-N	-1	0	271.313	0.716	20	30		CCEDRM
C=C[C@@](C)(CCOC)C(=O)N[C@@H](COC)C(=O)[O-]	ZINC000909658592	613476697	/nfs/dbraw/zinc/47/66/97/613476697.db2.gz	GFHCJYCTRSVKNW-CABZTGNLSA-N	-1	0	259.302	0.431	20	30		CCEDRM
C=C[C@H](C)O[N-]C(=O)C(=O)Nc1cc(CC)nn1C	ZINC000846155729	613483759	/nfs/dbraw/zinc/48/37/59/613483759.db2.gz	VQXAHTUKSBOYCZ-QMMMGPOBSA-N	-1	0	266.301	0.543	20	30		CCEDRM
C=C[C@H](C)O[N-]C(=O)[C@@H](NS(C)(=O)=O)C(C)C	ZINC000846549716	613488244	/nfs/dbraw/zinc/48/82/44/613488244.db2.gz	KYABCIKIAFROGS-IUCAKERBSA-N	-1	0	264.347	0.183	20	30		CCEDRM
C=C[C@H](C)O[N-]C(=O)[C@@H](O)[C@H](O)c1nc2ccccc2[nH]1	ZINC000846551142	613488255	/nfs/dbraw/zinc/48/82/55/613488255.db2.gz	XCZDDQFEYYEQER-UWJYBYFXSA-N	-1	0	291.307	0.580	20	30		CCEDRM
C=C[C@H](C)O[N-]C(=O)[C@H]1CC(c2cn(C)nc2C)=NO1	ZINC000824033609	613488345	/nfs/dbraw/zinc/48/83/45/613488345.db2.gz	PULODNUCGBIDCU-QPUJVOFHSA-N	-1	0	278.312	0.844	20	30		CCEDRM
C=C[C@H](CCC(=O)[O-])NS(=O)(=O)CC1CCOCC1	ZINC000871742709	613489979	/nfs/dbraw/zinc/48/99/79/613489979.db2.gz	UGSYHXLZZJNVNJ-LLVKDONJSA-N	-1	0	291.369	0.752	20	30		CCEDRM
C=C[C@H](O)C(=O)N[C@](C)(Cc1ccc(F)cc1)C(=O)[O-]	ZINC000910512907	613497763	/nfs/dbraw/zinc/49/77/63/613497763.db2.gz	OMPNOLGKKOIHIK-SMDDNHRTSA-N	-1	0	281.283	0.875	20	30		CCEDRM
C=C[C@](C)(O)C(=O)NCCc1ccc(OCC(=O)[O-])cc1	ZINC000909301802	613507312	/nfs/dbraw/zinc/50/73/12/613507312.db2.gz	GCCILINWAYDQPP-HNNXBMFYSA-N	-1	0	293.319	0.746	20	30		CCEDRM
C=C[C@](C)(O)C(=O)N[C@H](CC1(OC)CCC1)C(=O)[O-]	ZINC000909893476	613508290	/nfs/dbraw/zinc/50/82/90/613508290.db2.gz	IQVALQZRTDPKIF-SKDRFNHKSA-N	-1	0	271.313	0.452	20	30		CCEDRM
CC#CCCNC(=O)N(CC(=O)[O-])C1CCOCC1	ZINC000909032181	613521516	/nfs/dbraw/zinc/52/15/16/613521516.db2.gz	RYBJAJUJKDSNSV-UHFFFAOYSA-N	-1	0	268.313	0.675	20	30		CCEDRM
CC#CCCNC(=O)N1CC[C@H](OC)C[C@@H]1C(=O)[O-]	ZINC000909032545	613521760	/nfs/dbraw/zinc/52/17/60/613521760.db2.gz	XCVNRSJSMIMXGJ-WDEREUQCSA-N	-1	0	268.313	0.673	20	30		CCEDRM
CC#CCN1CC(N(CC)C(=O)c2n[nH]c(C)c2[O-])C1	ZINC000949874473	613529161	/nfs/dbraw/zinc/52/91/61/613529161.db2.gz	MUMPUCVLTPDVJK-UHFFFAOYSA-N	-1	0	276.340	0.593	20	30		CCEDRM
C=CCCOCC(=O)N(C)[C@H]1CCN(C(=O)[O-])C1	ZINC000823496441	613570902	/nfs/dbraw/zinc/57/09/02/613570902.db2.gz	JMRZWMXUEXMGFQ-JTQLQIEISA-N	-1	0	256.302	0.790	20	30		CCEDRM
C=CCCOCC(=O)N1CC[C@@H](C(=O)OC)C[C@@H]1C(=O)[O-]	ZINC000833373875	613571571	/nfs/dbraw/zinc/57/15/71/613571571.db2.gz	HLEQGOUFGPDGAT-GHMZBOCLSA-N	-1	0	299.323	0.444	20	30		CCEDRM
C=CCCOCC(=O)[N-]OCCN1CCCC1=O	ZINC000856038651	613572636	/nfs/dbraw/zinc/57/26/36/613572636.db2.gz	FTAJTBNUKKIXHF-UHFFFAOYSA-N	-1	0	256.302	0.249	20	30		CCEDRM
C=CCCOCC(=O)N[C@@](C)(Cn1cccn1)C(=O)[O-]	ZINC000908273864	613572928	/nfs/dbraw/zinc/57/29/28/613572928.db2.gz	VCADGBRNVICJCB-ZDUSSCGKSA-N	-1	0	281.312	0.435	20	30		CCEDRM
C=CCCO[N-]C(=O)C(=O)c1c(C)nn(C)c1C	ZINC000856029512	613575933	/nfs/dbraw/zinc/57/59/33/613575933.db2.gz	QVHCYFJVCNXCSU-UHFFFAOYSA-N	-1	0	251.286	0.844	20	30		CCEDRM
C=CCCO[N-]C(=O)[C@@H](O)[C@H](O)c1nc2ccccc2[nH]1	ZINC000856033186	613576553	/nfs/dbraw/zinc/57/65/53/613576553.db2.gz	ASHCHVJQQSCBGR-RYUDHWBXSA-N	-1	0	291.307	0.581	20	30		CCEDRM
C=CCCO[N-]C(=O)CN1C(=O)[C@@H]2CCCC[C@H]2C1=O	ZINC000856028080	613576688	/nfs/dbraw/zinc/57/66/88/613576688.db2.gz	AFJTXTRSUSKIDU-GHMZBOCLSA-N	-1	0	280.324	0.786	20	30		CCEDRM
C=CCCONC(=O)Cc1cc(=O)n(CC(C)C)[n-]1	ZINC000825557051	613576761	/nfs/dbraw/zinc/57/67/61/613576761.db2.gz	UTCGKWDIMSDJPX-UHFFFAOYSA-N	-1	0	267.329	0.999	20	30		CCEDRM
C=CCCO[N-]C(=O)[C@@]12CCC(=O)N1CCS2	ZINC000856029838	613577018	/nfs/dbraw/zinc/57/70/18/613577018.db2.gz	GBGCWOLKUIKXRQ-NSHDSACASA-N	-1	0	256.327	0.676	20	30		CCEDRM
C=CCCO[N-]C(=O)[C@@H]1CCCN1S(C)(=O)=O	ZINC000856030269	613577167	/nfs/dbraw/zinc/57/71/67/613577167.db2.gz	VDKHYSDKQFLZNJ-VIFPVBQESA-N	-1	0	262.331	0.034	20	30		CCEDRM
C=CCCO[N-]C(=O)[C@H](CO)NC(=O)c1ccc(F)cc1	ZINC000856028594	613577194	/nfs/dbraw/zinc/57/71/94/613577194.db2.gz	XVNNVGJBTFXRSA-LBPRGKRZSA-N	-1	0	296.298	0.540	20	30		CCEDRM
C=CCCO[N-]C(=O)[C@H]1C[C@H](O)CN1c1ccncn1	ZINC000824660350	613577308	/nfs/dbraw/zinc/57/73/08/613577308.db2.gz	TUMXVWIXKOKMSY-WDEREUQCSA-N	-1	0	278.312	0.040	20	30		CCEDRM
C=CCCO[C@@H](C)C(=O)N1C[C@H]2[C@H](C(=O)[O-])[C@H]2C1	ZINC000910792082	613578010	/nfs/dbraw/zinc/57/80/10/613578010.db2.gz	HNKNVCJBNLPNSR-UKKRHICBSA-N	-1	0	253.298	0.757	20	30		CCEDRM
C=CCCS(=O)(=O)N(C)[C@@H](C)CNC(=O)[O-]	ZINC000823496744	613580049	/nfs/dbraw/zinc/58/00/49/613580049.db2.gz	PEAQATPEMMGXBX-QMMMGPOBSA-N	-1	0	250.320	0.480	20	30		CCEDRM
C=CCC[C@@H](NC(=O)CCc1cncnc1)C(=O)[O-]	ZINC000909712920	613584624	/nfs/dbraw/zinc/58/46/24/613584624.db2.gz	OFCRKEGEDLJNON-LLVKDONJSA-N	-1	0	263.297	0.945	20	30		CCEDRM
C=CCC[C@@H](NC(=O)Cc1cn(C)nc1C)C(=O)[O-]	ZINC000909713434	613585105	/nfs/dbraw/zinc/58/51/05/613585105.db2.gz	PZQSXMBJXINGFS-LLVKDONJSA-N	-1	0	265.313	0.807	20	30		CCEDRM
C=CCC[C@H](CO)NC(=O)Cc1cc(=O)n(CC(C)C)[n-]1	ZINC000821969482	613588391	/nfs/dbraw/zinc/58/83/91/613588391.db2.gz	BHNOGCUYNFFLPP-GFCCVEGCSA-N	-1	0	295.383	0.818	20	30		CCEDRM
C=CCC[C@H](NC(=O)[C@@]1(O)CCSC1)C(=O)[O-]	ZINC000909715318	613589855	/nfs/dbraw/zinc/58/98/55/613589855.db2.gz	LQTYBEMIBBQCAA-GZMMTYOYSA-N	-1	0	259.327	0.390	20	30		CCEDRM
C=CCC[C@H](NC(=O)c1cc2n(n1)CCCO2)C(=O)[O-]	ZINC000909712874	613590339	/nfs/dbraw/zinc/59/03/39/613590339.db2.gz	NISJPWUXOMQOMY-VIFPVBQESA-N	-1	0	279.296	0.815	20	30		CCEDRM
C=CCC[C@H](NC(=O)[C@]1(C#N)CCCOC1)C(=O)[O-]	ZINC000923083854	613590539	/nfs/dbraw/zinc/59/05/39/613590539.db2.gz	SWAZZKQZLZMLBB-GWCFXTLKSA-N	-1	0	266.297	0.842	20	30		CCEDRM
C=CCCn1cc(C=NN[C@@H](CC)C(=O)[O-])nn1	ZINC000853348885	613598157	/nfs/dbraw/zinc/59/81/57/613598157.db2.gz	PKRGJKIGKZIAJB-JTQLQIEISA-N	-1	0	251.290	0.641	20	30		CCEDRM
C=CCN(CC(=O)[O-])C(=O)C[C@@H](C)n1cccn1	ZINC000909517006	613641826	/nfs/dbraw/zinc/64/18/26/613641826.db2.gz	XBCWZNJHBHAJNM-SNVBAGLBSA-N	-1	0	251.286	0.933	20	30		CCEDRM
C=CCN(CC(=O)[O-])C(=O)[C@H](C)Cc1c[nH]cn1	ZINC000864135470	613643126	/nfs/dbraw/zinc/64/31/26/613643126.db2.gz	NCPREEGLSOWWSI-SECBINFHSA-N	-1	0	251.286	0.688	20	30		CCEDRM
C=CCN(CC(=O)OCC)C(=O)c1ccnc(C(=O)[O-])c1	ZINC000833375305	613645310	/nfs/dbraw/zinc/64/53/10/613645310.db2.gz	PKNUQAWVZWGOTI-UHFFFAOYSA-N	-1	0	292.291	0.971	20	30		CCEDRM
CC#CCS(=O)(=O)[N-]C(=O)COc1ccccc1C#N	ZINC000810774644	613645900	/nfs/dbraw/zinc/64/59/00/613645900.db2.gz	PDHIALDXQDZKDC-UHFFFAOYSA-N	-1	0	292.316	0.406	20	30		CCEDRM
CC#CCS(=O)(=O)[N-]C(=O)C[C@@H](OC)C(F)(F)F	ZINC000845546290	613646112	/nfs/dbraw/zinc/64/61/12/613646112.db2.gz	WJVAGZLKRTZCIP-SSDOTTSWSA-N	-1	0	287.259	0.423	20	30		CCEDRM
C=CCN(CC=C)C(=O)CN(C)[C@H]1CCN(C(=O)[O-])C1	ZINC000823501576	613646621	/nfs/dbraw/zinc/64/66/21/613646621.db2.gz	ZGIYTARJESPIFZ-LBPRGKRZSA-N	-1	0	281.356	0.871	20	30		CCEDRM
CC#CCS(=O)(=O)[N-]C(=O)c1ccc(OC)c(OC)c1	ZINC000791110662	613647643	/nfs/dbraw/zinc/64/76/43/613647643.db2.gz	GSZIIDJIXSJFGI-UHFFFAOYSA-N	-1	0	297.332	0.787	20	30		CCEDRM
CC#CCS(=O)(=O)[N-]C(=O)c1ccc2c(c1)COC2	ZINC000810772733	613647786	/nfs/dbraw/zinc/64/77/86/613647786.db2.gz	CIJAGQZQMOVHIF-UHFFFAOYSA-N	-1	0	279.317	0.800	20	30		CCEDRM
CC(=NOCC(N)=O)c1ccccc1OCC(=O)[O-]	ZINC000833386988	613657757	/nfs/dbraw/zinc/65/77/57/613657757.db2.gz	IMNJTACHUACDMO-UHFFFAOYSA-N	-1	0	266.253	0.376	20	30		CCEDRM
CC(=Nn1c(=O)[n-][nH]c1=O)c1cnn(-c2ccccn2)c1C	ZINC000814231288	613658426	/nfs/dbraw/zinc/65/84/26/613658426.db2.gz	SGNRSJQUKZQGKD-UHFFFAOYSA-N	-1	0	299.294	0.851	20	30		CCEDRM
CC(=O)NCC1CCN(C(=O)[C@](C)(C#N)CC(=O)[O-])CC1	ZINC000819737109	613719437	/nfs/dbraw/zinc/71/94/37/613719437.db2.gz	HCAAVDXCFIXSMH-AWEZNQCLSA-N	-1	0	295.339	0.366	20	30		CCEDRM
CC(=O)N(CC(=O)N[C@H]1CCN(O)C1=O)c1ccccc1	ZINC000820121123	613756448	/nfs/dbraw/zinc/75/64/48/613756448.db2.gz	WUBYNWWMWZIODP-LBPRGKRZSA-N	-1	0	291.307	0.146	20	30		CCEDRM
C=CCNC(=O)CN(CCc1ccccc1)CC(=O)[O-]	ZINC000833377102	613844921	/nfs/dbraw/zinc/84/49/21/613844921.db2.gz	MBKXQYIUILCUET-UHFFFAOYSA-N	-1	0	276.336	0.918	20	30		CCEDRM
C=CCNC(=O)C(=O)Nc1cc(OC)ccc1C(=O)[O-]	ZINC000833377169	613844952	/nfs/dbraw/zinc/84/49/52/613844952.db2.gz	OYZALZKTGKFISN-UHFFFAOYSA-N	-1	0	278.264	0.634	20	30		CCEDRM
C=CCNC(=O)CN(C)[C@H](COC(C)C)C(=O)[O-]	ZINC000825687547	613844984	/nfs/dbraw/zinc/84/49/84/613844984.db2.gz	PTPNBSDEHJIPMH-SNVBAGLBSA-N	-1	0	258.318	0.099	20	30		CCEDRM
C=CCNC(=O)COC(=O)CC1(NC(=O)[O-])CCC1	ZINC000823507134	613847549	/nfs/dbraw/zinc/84/75/49/613847549.db2.gz	STUJMIZEIFIRDI-UHFFFAOYSA-N	-1	0	270.285	0.412	20	30		CCEDRM
C=CCNC(=O)COC(=O)[C@H]1CCC[C@@H](C(=O)[O-])C1	ZINC000825687480	613848290	/nfs/dbraw/zinc/84/82/90/613848290.db2.gz	LOTKCRRNKXUNIU-ZJUUUORDSA-N	-1	0	269.297	0.723	20	30		CCEDRM
C=CCNC(=O)C(C#N)=C([O-])c1c2c(nn1C)CCCC2	ZINC000892490472	613852875	/nfs/dbraw/zinc/85/28/75/613852875.db2.gz	UGDJNWGWOVSIRB-NSHDSACASA-N	-1	0	286.335	0.924	20	30		CCEDRM
C=CCNC(=O)C(C#N)=C([O-])c1cnc2n1CCC2	ZINC000850760203	613852934	/nfs/dbraw/zinc/85/29/34/613852934.db2.gz	XAGSWHDHPGSLFH-VIFPVBQESA-N	-1	0	258.281	0.454	20	30		CCEDRM
C=CCNC(=O)C(C#N)=C([O-])c1c(Cl)cnn1C	ZINC000850761013	613852941	/nfs/dbraw/zinc/85/29/41/613852941.db2.gz	ZFQVCPAYZVTDMS-ZETCQYMHSA-N	-1	0	266.688	0.698	20	30		CCEDRM
C=CCOCC(=O)N1CCC[C@@](COC)(C(=O)[O-])C1	ZINC000909709656	613879059	/nfs/dbraw/zinc/87/90/59/613879059.db2.gz	NBABBISGCSGFJL-CYBMUJFWSA-N	-1	0	271.313	0.529	20	30		CCEDRM
C=CCOC[C@@H](NC(=O)NCC[C@H]1CCCO1)C(=O)[O-]	ZINC000797718135	613881615	/nfs/dbraw/zinc/88/16/15/613881615.db2.gz	OFZRWWAWECNRDZ-GHMZBOCLSA-N	-1	0	286.328	0.511	20	30		CCEDRM
C=CCOC[C@@H](NC(=O)[C@H](O)c1ccccc1)C(=O)[O-]	ZINC000909769149	613881800	/nfs/dbraw/zinc/88/18/00/613881800.db2.gz	BDZJNSCJHOMTJJ-VXGBXAGGSA-N	-1	0	279.292	0.492	20	30		CCEDRM
C=CCOC[C@H](NC(=O)C1(C)CCC(=O)CC1)C(=O)[O-]	ZINC000909772939	613882254	/nfs/dbraw/zinc/88/22/54/613882254.db2.gz	YPYHBLXPPBVIBZ-NSHDSACASA-N	-1	0	283.324	0.908	20	30		CCEDRM
C=CCOC[C@H](NC(=O)C1(SC)CC1)C(=O)[O-]	ZINC000909769536	613882261	/nfs/dbraw/zinc/88/22/61/613882261.db2.gz	ACJLYPSBFYCPGE-QMMMGPOBSA-N	-1	0	259.327	0.654	20	30		CCEDRM
C=CCOC[C@H](NC(=O)NCCOC(C)(C)C)C(=O)[O-]	ZINC000908908855	613882377	/nfs/dbraw/zinc/88/23/77/613882377.db2.gz	OYXOYXRAOVGKDF-JTQLQIEISA-N	-1	0	288.344	0.757	20	30		CCEDRM
C=CCOC[C@H](NC(=O)N[C@@H]1CCO[C@@H](C)C1)C(=O)[O-]	ZINC000909032326	613882429	/nfs/dbraw/zinc/88/24/29/613882429.db2.gz	BGKVROLLBZNKRI-AXFHLTTASA-N	-1	0	286.328	0.509	20	30		CCEDRM
C=CCOC[C@H](NC(=O)[C@@H](C)Oc1ccccn1)C(=O)[O-]	ZINC000909769166	613882470	/nfs/dbraw/zinc/88/24/70/613882470.db2.gz	BLQPFPJPGLRDPP-MNOVXSKESA-N	-1	0	294.307	0.621	20	30		CCEDRM
C=CCO[N-]C(=O)C(=O)Nc1cnn2c1CCCC2	ZINC000873907245	613883008	/nfs/dbraw/zinc/88/30/08/613883008.db2.gz	BCTZIUBPWIMXEL-UHFFFAOYSA-N	-1	0	264.285	0.392	20	30		CCEDRM
C=CCS(=O)(=O)CCNC(=O)c1cccc(F)c1[O-]	ZINC000935332644	613885601	/nfs/dbraw/zinc/88/56/01/613885601.db2.gz	LDKHBDBYQWAPGL-UHFFFAOYSA-N	-1	0	287.312	0.862	20	30		CCEDRM
C=CCS(=O)(=O)[N-]C(=O)CO[C@@H](C)c1nccn1C	ZINC000805902444	613886118	/nfs/dbraw/zinc/88/61/18/613886118.db2.gz	PLWRBFRVWGDOOV-VIFPVBQESA-N	-1	0	287.341	0.130	20	30		CCEDRM
C=CCS(=O)(=O)[N-]C(=O)C1(OC(C)C)CCC1	ZINC000873514129	613886133	/nfs/dbraw/zinc/88/61/33/613886133.db2.gz	MIIGPEUMWLSBHX-UHFFFAOYSA-N	-1	0	261.343	0.966	20	30		CCEDRM
C=CCS(=O)(=O)[N-]C(=O)[C@H](OCC)C1CCOCC1	ZINC000870256321	613886258	/nfs/dbraw/zinc/88/62/58/613886258.db2.gz	FRNWNPFBCSODSG-LLVKDONJSA-N	-1	0	291.369	0.450	20	30		CCEDRM
C=CCS(=O)(=O)[N-]C(=O)c1ccc(OC)cc1	ZINC000132792236	613886306	/nfs/dbraw/zinc/88/63/06/613886306.db2.gz	KXHZIYIPRLAQCR-UHFFFAOYSA-N	-1	0	255.295	0.941	20	30		CCEDRM
C=CCS(=O)(=O)[N-]C(=O)c1cc(C(C)C)nn1C	ZINC000132780286	613886310	/nfs/dbraw/zinc/88/63/10/613886310.db2.gz	BPWWZKBXUXUBRH-UHFFFAOYSA-N	-1	0	271.342	0.789	20	30		CCEDRM
CC(C)NC(=O)[C@@H](C#N)C(=O)CC1(NC(=O)[O-])CCC1	ZINC000824369568	613930286	/nfs/dbraw/zinc/93/02/86/613930286.db2.gz	SJYXIYKUHKLZFS-VIFPVBQESA-N	-1	0	281.312	0.800	20	30		CCEDRM
CC(C)NC(=O)C(C#N)=C([O-])c1cc2c(cn1)OCCO2	ZINC000819943205	613930704	/nfs/dbraw/zinc/93/07/04/613930704.db2.gz	PMPPXXODUSRVIF-VIFPVBQESA-N	-1	0	289.291	0.700	20	30		CCEDRM
CC(C)(C)OC(=O)C[C@@](C)(C#N)C(=O)OCC(=O)[O-]	ZINC000819914939	613970217	/nfs/dbraw/zinc/97/02/17/613970217.db2.gz	NIJJDLLFPJMHET-LBPRGKRZSA-N	-1	0	271.269	0.876	20	30		CCEDRM
CC(C)(C)OC(=O)NCCNC(=O)[C@](C)(C#N)CC(=O)[O-]	ZINC000819927696	613989198	/nfs/dbraw/zinc/98/91/98/613989198.db2.gz	PKGOQCLSNYUYBR-ZDUSSCGKSA-N	-1	0	299.327	0.632	20	30		CCEDRM
CC(C)(C)[C@@H]1CC(N=NC2=NCC(=O)N2)CS1	ZINC000863177702	614025562	/nfs/dbraw/zinc/02/55/62/614025562.db2.gz	VJJWXHZNCUSKEK-QMMMGPOBSA-N	-1	0	254.359	0.969	20	30		CCEDRM
CC(C)(CC(=O)[O-])CC(=O)NC1CCN(CC#N)CC1	ZINC000833454047	614079083	/nfs/dbraw/zinc/07/90/83/614079083.db2.gz	AMWFELCONSTRKQ-UHFFFAOYSA-N	-1	0	281.356	0.982	20	30		CCEDRM
CC(C)[C@@H](CNC(=O)Nc1nn(C)cc1C#N)NC(=O)[O-]	ZINC000824121908	614096631	/nfs/dbraw/zinc/09/66/31/614096631.db2.gz	AZDVJYPEEKBDAA-SECBINFHSA-N	-1	0	294.315	0.705	20	30		CCEDRM
CC(C)CO[C@H](C)C(=O)[N-]S(=O)(=O)CCC#N	ZINC000835409912	614173487	/nfs/dbraw/zinc/17/34/87/614173487.db2.gz	AFXORJNTUZRNGR-SECBINFHSA-N	-1	0	262.331	0.407	20	30		CCEDRM
CC(C)[C@@](C)(C#N)NC(=O)COC(=O)C[C@@H](C)NC(=O)[O-]	ZINC000824727432	614180149	/nfs/dbraw/zinc/18/01/49/614180149.db2.gz	HVWYSCKPPSKYEF-NOZJJQNGSA-N	-1	0	299.327	0.630	20	30		CCEDRM
CC(C)[C@@](C)(C#N)NC(=O)[C@H](C)N1CC[C@H](NC(=O)[O-])C1	ZINC000823678843	614181023	/nfs/dbraw/zinc/18/10/23/614181023.db2.gz	WFGPWWRGCPJSMF-COPLHBTASA-N	-1	0	296.371	0.771	20	30		CCEDRM
CC(C)C[C@H](C#N)NC(=O)[C@@H]1CN(C(=O)[O-])CCO1	ZINC000824170153	614210119	/nfs/dbraw/zinc/21/01/19/614210119.db2.gz	GIMFNGYAIQEZBE-ZJUUUORDSA-N	-1	0	269.301	0.420	20	30		CCEDRM
CC(C)[C@H](F)C(=O)[N-]S(=O)(=O)CC1(C#N)CC1	ZINC000793198589	614223299	/nfs/dbraw/zinc/22/32/99/614223299.db2.gz	YQQJEJPYMBURMK-QMMMGPOBSA-N	-1	0	262.306	0.730	20	30		CCEDRM
CC(C)Cn1nccc1C(=O)[N-]S(=O)(=O)CCCC#N	ZINC000842752674	614244186	/nfs/dbraw/zinc/24/41/86/614244186.db2.gz	QQAHQCBQNNOWSW-UHFFFAOYSA-N	-1	0	298.368	0.902	20	30		CCEDRM
CC(C)(C#N)CS(=O)(=O)N1CCCC[C@@H]1C(=O)[O-]	ZINC000905987171	614286320	/nfs/dbraw/zinc/28/63/20/614286320.db2.gz	ZLNJMRVBJDKRNV-SECBINFHSA-N	-1	0	274.342	0.805	20	30		CCEDRM
CC(C)[C@](C)(C#N)NC(=O)c1cnc(C(=O)[O-])cn1	ZINC000833465247	614287045	/nfs/dbraw/zinc/28/70/45/614287045.db2.gz	IZRBKQUJJREVFW-LBPRGKRZSA-N	-1	0	262.269	0.843	20	30		CCEDRM
CC(C)n1cc(S(=O)(=O)[N-]C(=O)[C@@H](C)CC#N)cn1	ZINC000851067698	614357399	/nfs/dbraw/zinc/35/73/99/614357399.db2.gz	ROWPOBYIIWXVTH-VIFPVBQESA-N	-1	0	284.341	0.819	20	30		CCEDRM
CCCN(C)S(=O)(=O)[N-]C(=O)c1ccc(C#N)cc1	ZINC000120602132	614525054	/nfs/dbraw/zinc/52/50/54/614525054.db2.gz	XYIUPDOKKITSJW-UHFFFAOYSA-N	-1	0	281.337	0.875	20	30		CCEDRM
CCCn1nccc1C(=O)[N-]S(=O)(=O)CCC#N	ZINC000851016621	614548493	/nfs/dbraw/zinc/54/84/93/614548493.db2.gz	ZAELGCNAWGGTSM-UHFFFAOYSA-N	-1	0	270.314	0.266	20	30		CCEDRM
CCC1(C(=O)[N-]S(=O)(=O)c2cncc(C#N)c2)CC1	ZINC000813982550	614663028	/nfs/dbraw/zinc/66/30/28/614663028.db2.gz	MLDBXJLZKZZXDA-UHFFFAOYSA-N	-1	0	279.321	0.948	20	30		CCEDRM
CCC1(S(=O)(=O)[N-]C(=O)c2cc(C#N)cn2C)CC1	ZINC000835533694	614711437	/nfs/dbraw/zinc/71/14/37/614711437.db2.gz	NBEUMTUOVQQFAA-UHFFFAOYSA-N	-1	0	281.337	0.899	20	30		CCEDRM
CCN(C)S(=O)(=O)[N-]C(=O)c1ccc(C#N)c(OC)c1	ZINC000850862404	614884201	/nfs/dbraw/zinc/88/42/01/614884201.db2.gz	NNAQNGQPBSLGRA-UHFFFAOYSA-N	-1	0	297.336	0.493	20	30		CCEDRM
CCCCCNC(=O)C(C#N)=C([O-])c1cnnn1C	ZINC000798815528	614923169	/nfs/dbraw/zinc/92/31/69/614923169.db2.gz	XWCUCFLGNBZNKF-VIFPVBQESA-N	-1	0	263.301	0.444	20	30		CCEDRM
CC1=CC(=O)C(=C([O-])C=Cc2cnn(C)n2)C(=O)O1	ZINC000901416278	614968611	/nfs/dbraw/zinc/96/86/11/614968611.db2.gz	FQDQELMKHAHKES-BYCRGOAPSA-N	-1	0	261.237	0.043	20	30		CCEDRM
CCN(CCC#N)[C@H](C)C(=O)N1CCC(C(=O)[O-])CC1	ZINC000829692233	615024377	/nfs/dbraw/zinc/02/43/77/615024377.db2.gz	CLPSQQGSAWFKPL-LLVKDONJSA-N	-1	0	281.356	0.934	20	30		CCEDRM
CCN(CCC(=O)OC)C(=O)[C@](C)(C#N)CC(=O)[O-]	ZINC000820343930	615035925	/nfs/dbraw/zinc/03/59/25/615035925.db2.gz	CCRHAHRTNAFBIR-LBPRGKRZSA-N	-1	0	270.285	0.403	20	30		CCEDRM
CCN(C[C@@H](C)C#N)C(=O)CN1CCO[C@H](CC(=O)[O-])C1	ZINC000829642651	615061574	/nfs/dbraw/zinc/06/15/74/615061574.db2.gz	NSNRGOJDCCZITP-NWDGAFQWSA-N	-1	0	297.355	0.170	20	30		CCEDRM
CCN(C[C@H](C)C#N)C(=O)CN(C)[C@@H](C)C(=O)[O-]	ZINC000818193589	615064422	/nfs/dbraw/zinc/06/44/22/615064422.db2.gz	BOGBDFPIPWHDJG-ZJUUUORDSA-N	-1	0	255.318	0.399	20	30		CCEDRM
CCOC(=O)CCN(C)C(=O)[C@@](C)(C#N)CC(=O)[O-]	ZINC000820364369	615176288	/nfs/dbraw/zinc/17/62/88/615176288.db2.gz	FOBJXGJKBPYAJM-GFCCVEGCSA-N	-1	0	270.285	0.403	20	30		CCEDRM
CCOC1CC(C(=O)[N-]S(=O)(=O)CCCC#N)C1	ZINC000805910752	615211597	/nfs/dbraw/zinc/21/15/97/615211597.db2.gz	WUIPNOTZCDFBQU-UHFFFAOYSA-N	-1	0	274.342	0.551	20	30		CCEDRM
CCOCCO[C@@H](C)C(=O)C(C#N)=C([O-])c1nccn1C	ZINC000122759523	615293126	/nfs/dbraw/zinc/29/31/26/615293126.db2.gz	BSJYGODIJMMVHR-WDEREUQCSA-N	-1	0	293.323	0.753	20	30		CCEDRM
CCO[N-]C(=O)CNC(=O)[C@H](C)Oc1ccc(C#N)cc1	ZINC000846496529	615369389	/nfs/dbraw/zinc/36/93/89/615369389.db2.gz	CXGKMOPMLDEWTO-JTQLQIEISA-N	-1	0	291.307	0.509	20	30		CCEDRM
CCO[N-]C(=O)CN[C@H](C(=O)OC)c1ccc(C#N)cc1	ZINC000844630748	615376339	/nfs/dbraw/zinc/37/63/39/615376339.db2.gz	ADZYRJBRJFMJDG-ZDUSSCGKSA-N	-1	0	291.307	0.430	20	30		CCEDRM
CC[C@H](C#N)NS(=O)(=O)c1ccc(OC)c(C(=O)[O-])c1	ZINC000833636168	615600023	/nfs/dbraw/zinc/60/00/23/615600023.db2.gz	JZOSGEIGMOWZQS-MRVPVSSYSA-N	-1	0	298.320	0.974	20	30		CCEDRM
CC[C@H](C#N)OC(=O)c1ccc(-c2nn[nH]n2)nc1	ZINC000820843392	615600129	/nfs/dbraw/zinc/60/01/29/615600129.db2.gz	XJUDXNQAOVADFU-MRVPVSSYSA-N	-1	0	258.241	0.721	20	30		CCEDRM
CCc1c(C(=O)N2CCN(C(=O)[O-])C[C@H]2C#N)cnn1C	ZINC000827551180	615601002	/nfs/dbraw/zinc/60/10/02/615601002.db2.gz	OAOAPHPVYVGIQV-SECBINFHSA-N	-1	0	291.311	0.310	20	30		CCEDRM
CCn1nc(C)c(C(=O)[N-]S(=O)(=O)CC(C)(C)C#N)n1	ZINC000816005534	615645974	/nfs/dbraw/zinc/64/59/74/615645974.db2.gz	PXYIYAMOWVEYGQ-UHFFFAOYSA-N	-1	0	299.356	0.216	20	30		CCEDRM
CC[C@H](C)NC(=O)CCNC(=O)[C@](C)(C#N)CC(=O)[O-]	ZINC000820266770	615673609	/nfs/dbraw/zinc/67/36/09/615673609.db2.gz	QQCMWYHKZPRAGG-ZANVPECISA-N	-1	0	283.328	0.412	20	30		CCEDRM
CCc1c[nH]c(=O)c(C(=O)[N-]S(=O)(=O)CCC#N)c1	ZINC000851016443	615710385	/nfs/dbraw/zinc/71/03/85/615710385.db2.gz	UUYNBDYAHNFUMT-UHFFFAOYSA-N	-1	0	283.309	0.323	20	30		CCEDRM
CCn1nncc1C([O-])=C(C#N)C(=O)NCc1ccccc1	ZINC000815906857	615752206	/nfs/dbraw/zinc/75/22/06/615752206.db2.gz	KZYMXVGJJCGPEZ-LBPRGKRZSA-N	-1	0	297.318	0.937	20	30		CCEDRM
CC[C@H](NC(=O)[O-])C(=O)NC[C@H]1CCCN(CC#N)C1	ZINC000827524716	615805013	/nfs/dbraw/zinc/80/50/13/615805013.db2.gz	OUJWAZRUBVBASP-MNOVXSKESA-N	-1	0	282.344	0.384	20	30		CCEDRM
CN(C(=O)Cc1ccccc1CC#N)c1nnn[n-]1	ZINC000892954657	615825114	/nfs/dbraw/zinc/82/51/14/615825114.db2.gz	PEWPFMHVPBGIFC-UHFFFAOYSA-N	-1	0	256.269	0.471	20	30		CCEDRM
CC[C@H](O)CNN=Cc1[nH]nc2cc(C(=O)[O-])ccc21	ZINC000811654767	615830127	/nfs/dbraw/zinc/83/01/27/615830127.db2.gz	VTQQEBFACQGTRM-VIFPVBQESA-N	-1	0	276.296	0.956	20	30		CCEDRM
CCc1noc2ncc(C([O-])=C(C#N)C(=O)NC)cc12	ZINC000728148046	615853752	/nfs/dbraw/zinc/85/37/52/615853752.db2.gz	UNHLKMDOSXTRLW-VIFPVBQESA-N	-1	0	272.264	0.854	20	30		CCEDRM
CCc1nocc1C(=O)[N-]S(=O)(=O)CCC#N	ZINC000860751255	615858830	/nfs/dbraw/zinc/85/88/30/615858830.db2.gz	AGQXQEDCZHKQFV-UHFFFAOYSA-N	-1	0	257.271	0.210	20	30		CCEDRM
CN(C(=O)[C@@]1(C#N)CC2CCC1CC2)c1nnn[n-]1	ZINC000912616967	615869780	/nfs/dbraw/zinc/86/97/80/615869780.db2.gz	AFXWSYZFKXQPED-SHVIVCPWSA-N	-1	0	260.301	0.883	20	30		CCEDRM
CN(C(=O)[C@@](C)(C#N)CC(=O)[O-])[C@@H]1CCSC1	ZINC000820517761	615869865	/nfs/dbraw/zinc/86/98/65/615869865.db2.gz	QNADYEDJPAKCQE-LDYMZIIASA-N	-1	0	256.327	0.955	20	30		CCEDRM
CC[C@](C)(C#N)C(=O)N1CCO[C@](C)(C(=O)[O-])C1	ZINC000923099287	615942003	/nfs/dbraw/zinc/94/20/03/615942003.db2.gz	ASMISVDKMVLCFP-NEPJUHHUSA-N	-1	0	254.286	0.628	20	30		CCEDRM
CC[C@]1(C)NC(=O)N(N=Cc2c(C(=O)[O-])cnn2C)C1=O	ZINC000848403247	615991623	/nfs/dbraw/zinc/99/16/23/615991623.db2.gz	RAAVSDGXYLXVIE-LBPRGKRZSA-N	-1	0	293.283	0.173	20	30		CCEDRM
CC[C@]1(C)NC(=O)N([N-]C(=O)c2sccc2C#N)C1=O	ZINC000813547631	615993359	/nfs/dbraw/zinc/99/33/59/615993359.db2.gz	RPJDDXZXPLTURK-LBPRGKRZSA-N	-1	0	292.320	0.985	20	30		CCEDRM
CN(C1CC1)S(=O)(=O)N1CCC(C#CC(=O)[O-])CC1	ZINC000844818523	616039066	/nfs/dbraw/zinc/03/90/66/616039066.db2.gz	SKBWYMYFULAAIA-UHFFFAOYSA-N	-1	0	286.353	0.125	20	30		CCEDRM
CN(CC(=O)NCc1cc(C#N)ccc1F)C(=O)[O-]	ZINC000828108400	616047657	/nfs/dbraw/zinc/04/76/57/616047657.db2.gz	QQAOJLVCUQYIMQ-UHFFFAOYSA-N	-1	0	265.244	0.923	20	30		CCEDRM
CN(CC(=O)[O-])[C@@H]1CCN(c2sccc2C#N)C1=O	ZINC000820569197	616050019	/nfs/dbraw/zinc/05/00/19/616050019.db2.gz	OIVMKRNHHDIBDT-SECBINFHSA-N	-1	0	279.321	0.741	20	30		CCEDRM
CN(CC(C)(C)C#N)C(=O)Cn1[n-]cc2c(=O)ncnc1-2	ZINC000817617877	616050920	/nfs/dbraw/zinc/05/09/20/616050920.db2.gz	IYSUDRUBSIAZNI-UHFFFAOYSA-N	-1	0	288.311	0.079	20	30		CCEDRM
CN(Cc1nc[nH]n1)[C@@H](C(=O)[O-])c1ccc(C#N)cc1	ZINC000830883856	616104511	/nfs/dbraw/zinc/10/45/11/616104511.db2.gz	UOWVIYVHTLLKLW-GFCCVEGCSA-N	-1	0	271.280	0.934	20	30		CCEDRM
CN(C[C@H](O)C1CC1)C(=O)[C@](C)(C#N)CC(=O)[O-]	ZINC000820574265	616149320	/nfs/dbraw/zinc/14/93/20/616149320.db2.gz	KRIDIRQYTBQNOG-CABZTGNLSA-N	-1	0	254.286	0.220	20	30		CCEDRM
COC(=O)C1CCC(NC(=O)[C@@](C)(C#N)CC(=O)[O-])CC1	ZINC000820660303	616464431	/nfs/dbraw/zinc/46/44/31/616464431.db2.gz	CJYIWPVFDZZWID-RPFQZYLTSA-N	-1	0	296.323	0.839	20	30		CCEDRM
COCCOCC(=O)O[C@@H](C(=O)[O-])c1cccc(C#N)c1	ZINC000831756821	616530900	/nfs/dbraw/zinc/53/09/00/616530900.db2.gz	CLXMEIBDHCGKCJ-CYBMUJFWSA-N	-1	0	293.275	0.890	20	30		CCEDRM
COC(=O)CN(CC#N)C(=O)[C@@H]1CCC[C@H](C(=O)[O-])C1	ZINC000831164979	616587055	/nfs/dbraw/zinc/58/70/55/616587055.db2.gz	XBDKCLREIKBQEM-ZJUUUORDSA-N	-1	0	282.296	0.403	20	30		CCEDRM
COC(=O)CN(CC#N)Cc1cc(C(=O)[O-])co1	ZINC000831164989	616588410	/nfs/dbraw/zinc/58/84/10/616588410.db2.gz	XJGLSWJKZLOQAP-UHFFFAOYSA-N	-1	0	252.226	0.476	20	30		CCEDRM
COC[C@H](C)S(=O)(=O)N1CCC[C@@H](C#CC(=O)[O-])C1	ZINC000899926548	616628738	/nfs/dbraw/zinc/62/87/38/616628738.db2.gz	NLSRQQAWLKLSOS-QWRGUYRKSA-N	-1	0	289.353	0.151	20	30		CCEDRM
COC(=O)C[C@@H](C)C(=O)C(C#N)=C([O-])c1nccn1C	ZINC000122498701	616631260	/nfs/dbraw/zinc/63/12/60/616631260.db2.gz	TWKUWLPIEPTKAK-BDAKNGLRSA-N	-1	0	277.280	0.511	20	30		CCEDRM
COC(=O)Cc1c[n-]n(-c2ccc(C#N)cn2)c1=O	ZINC000887294557	616705082	/nfs/dbraw/zinc/70/50/82/616705082.db2.gz	DHVKEDXNMSORBU-VIFPVBQESA-N	-1	0	258.237	0.465	20	30		CCEDRM
CNC(=O)NCCC(=O)Nc1cc(C#N)ccc1[O-]	ZINC000815877892	616728552	/nfs/dbraw/zinc/72/85/52/616728552.db2.gz	KYTBHIJLHQFCJP-UHFFFAOYSA-N	-1	0	262.269	0.521	20	30		CCEDRM
COC[C@@H](C#N)OC(=O)c1cc(-c2nn[nH]n2)cs1	ZINC000826147631	616774606	/nfs/dbraw/zinc/77/46/06/616774606.db2.gz	FNZCOLKPXBFGFW-SSDOTTSWSA-N	-1	0	279.281	0.624	20	30		CCEDRM
COC(=O)N(C)CCNS(=O)(=O)c1ccc(C#N)o1	ZINC000849470755	616794154	/nfs/dbraw/zinc/79/41/54/616794154.db2.gz	TWBDMURUBKPVFX-UHFFFAOYSA-N	-1	0	287.297	0.128	20	30		CCEDRM
COC[C@](C)(C#N)NC(=O)CC[C@H]1CCN(C(=O)[O-])C1	ZINC000833882548	616816562	/nfs/dbraw/zinc/81/65/62/616816562.db2.gz	OFIWJDNYWSBUEM-GWCFXTLKSA-N	-1	0	283.328	0.811	20	30		CCEDRM
COC[C@](C)(C#N)NC(=O)[C@@]1(F)CCN(C(=O)[O-])C1	ZINC000828886846	616817138	/nfs/dbraw/zinc/81/71/38/616817138.db2.gz	XOXHWDWDADOBCR-WDEREUQCSA-N	-1	0	273.264	0.123	20	30		CCEDRM
COCCC(COC)N=Nc1nnc(C)c(=O)[n-]1	ZINC000812224020	616835144	/nfs/dbraw/zinc/83/51/44/616835144.db2.gz	XGPMPQIUEQQEPS-UHFFFAOYSA-N	-1	0	255.278	0.336	20	30		CCEDRM
COC[C@@H](C)S(=O)(=O)N1CCC(C#CC(=O)[O-])CC1	ZINC000844817001	616837360	/nfs/dbraw/zinc/83/73/60/616837360.db2.gz	NDUSUTQHFQHUPY-SNVBAGLBSA-N	-1	0	289.353	0.151	20	30		CCEDRM
CO[C@@H]1C[C@@H](NC(=O)[C@](C)(C#N)CC(=O)[O-])C1(C)C	ZINC000820702787	616853860	/nfs/dbraw/zinc/85/38/60/616853860.db2.gz	FVEKZQSJLGXUNR-KKFJDGPESA-N	-1	0	268.313	0.921	20	30		CCEDRM
COC[C@@H](NC(=O)[C@@]1(C#N)CC12CCCC2)C(=O)[O-]	ZINC000923077471	616893281	/nfs/dbraw/zinc/89/32/81/616893281.db2.gz	RORLSAATOBJWJE-RNCFNFMXSA-N	-1	0	266.297	0.676	20	30		CCEDRM
CNC(=O)c1cccc(NC(=O)[C@](C)(C#N)CC(=O)[O-])c1	ZINC000820641267	616921978	/nfs/dbraw/zinc/92/19/78/616921978.db2.gz	PCFIRFVWPBUCEW-AWEZNQCLSA-N	-1	0	289.291	0.989	20	30		CCEDRM
CNC(=S)NN=Cc1cc([N+](=O)[O-])ccc1[O-]	ZINC000916265179	616931740	/nfs/dbraw/zinc/93/17/40/616931740.db2.gz	LHTHURNBOXNCKJ-UHFFFAOYSA-N	-1	0	254.271	0.728	20	30		CCEDRM
CNC(=S)NN=Cc1ccc(OCC(=O)[O-])c(OC)c1	ZINC000916265201	616931767	/nfs/dbraw/zinc/93/17/67/616931767.db2.gz	MVSOLAYJWUPFLO-UHFFFAOYSA-N	-1	0	297.336	0.586	20	30		CCEDRM
COCCC[C@H](C)C(=O)N[C@@H]1CCCN(O)C1=O	ZINC000848135055	616932773	/nfs/dbraw/zinc/93/27/73/616932773.db2.gz	JBMWRIORPSVSQG-VHSXEESVSA-N	-1	0	258.318	0.546	20	30		CCEDRM
COC[C@@H]1CCN(C(=O)[C@@](C)(C#N)CC(=O)[O-])C1	ZINC000820714892	616951630	/nfs/dbraw/zinc/95/16/30/616951630.db2.gz	GERHQVYMEFXXPS-BXKDBHETSA-N	-1	0	254.286	0.486	20	30		CCEDRM
COCc1nn(Cc2cccc(C(=O)[O-])c2C#N)c(=O)o1	ZINC000833725747	616974560	/nfs/dbraw/zinc/97/45/60/616974560.db2.gz	GLBHZBLQFJSEDH-UHFFFAOYSA-N	-1	0	289.247	0.601	20	30		CCEDRM
COCc1noc(COC(=O)[C@](C)(C#N)CC(=O)[O-])n1	ZINC000820749767	616979715	/nfs/dbraw/zinc/97/97/15/616979715.db2.gz	ZCQOXMYUSFQIBG-NSHDSACASA-N	-1	0	283.240	0.264	20	30		CCEDRM
CO[C@H](C(=O)[N-]S(=O)(=O)CC(C)(C)C#N)C1CCC1	ZINC000850930833	616981383	/nfs/dbraw/zinc/98/13/83/616981383.db2.gz	XSMKUIJXGBRBKY-JTQLQIEISA-N	-1	0	288.369	0.797	20	30		CCEDRM
COCCN(CC(=O)[O-])C(=O)c1cc(C#N)cs1	ZINC000818537111	616982191	/nfs/dbraw/zinc/98/21/91/616982191.db2.gz	RZOPLWVETVGSSQ-UHFFFAOYSA-N	-1	0	268.294	0.793	20	30		CCEDRM
COC[C@@](C)(C#N)NC(=O)CCN(C(=O)[O-])C(C)C	ZINC000828885789	617010827	/nfs/dbraw/zinc/01/08/27/617010827.db2.gz	OAHZFOLTLNQKRH-GFCCVEGCSA-N	-1	0	271.317	0.810	20	30		CCEDRM
COC[C@@](C)(C#N)NC(=O)[C@@H]1CCCN(C(=O)[O-])C1	ZINC000828885300	617011184	/nfs/dbraw/zinc/01/11/84/617011184.db2.gz	BMTAUPKEHXTGHN-BXKDBHETSA-N	-1	0	269.301	0.421	20	30		CCEDRM
COC[C@@](C)(O)C(=O)O[C@@H](C(=O)[O-])c1cccc(C#N)c1	ZINC000831638534	617027986	/nfs/dbraw/zinc/02/79/86/617027986.db2.gz	YYUCJOQWMFBMKR-BXUZGUMPSA-N	-1	0	293.275	0.625	20	30		CCEDRM
COC[C@H](C#N)OC(=O)[C@@H]1CCC[C@@H](NC(=O)[O-])C1	ZINC000833883436	617047005	/nfs/dbraw/zinc/04/70/05/617047005.db2.gz	YWLQYCZRMJQCBA-BBBLOLIVSA-N	-1	0	270.285	0.895	20	30		CCEDRM
CO[C@H](C)CS(=O)(=O)[N-]C(=O)c1ncc(C#N)cc1C	ZINC000816049254	617076259	/nfs/dbraw/zinc/07/62/59/617076259.db2.gz	BBOLQLORSTUBEC-SECBINFHSA-N	-1	0	297.336	0.356	20	30		CCEDRM
CON=CC(=O)N[C@H](c1nnn[n-]1)c1ccccc1	ZINC000809621593	617105578	/nfs/dbraw/zinc/10/55/78/617105578.db2.gz	KSEXHDNCVASQHI-JTQLQIEISA-N	-1	0	260.257	0.038	20	30		CCEDRM
COc1cc(C(=O)[O-])ccc1NN=Cc1cnn(C)n1	ZINC000814887571	617168128	/nfs/dbraw/zinc/16/81/28/617168128.db2.gz	SWXBKMFYAMQMBS-UHFFFAOYSA-N	-1	0	275.268	0.968	20	30		CCEDRM
CO[C@@H](CS(=O)(=O)[N-]c1ccncc1C#N)C(C)C	ZINC000903150080	617170329	/nfs/dbraw/zinc/17/03/29/617170329.db2.gz	KKDYIXVBNQNOSM-LBPRGKRZSA-N	-1	0	283.353	0.788	20	30		CCEDRM
CO[C@@H]1CCCC[C@H]1C(=O)[N-]S(=O)(=O)CCCC#N	ZINC000816005504	617171816	/nfs/dbraw/zinc/17/18/16/617171816.db2.gz	OPBSMUOMVHMVKN-GHMZBOCLSA-N	-1	0	288.369	0.941	20	30		CCEDRM
C=CCN(CC(=O)[O-])C(=O)NCCOCC(F)F	ZINC000236422939	623501179	/nfs/dbraw/zinc/50/11/79/623501179.db2.gz	IGPBDEQMMBFDKM-UHFFFAOYSA-N	-1	0	266.244	0.550	20	30		CCEDRM
C[C@H]1CO[C@@H](C(=O)[N-]S(=O)(=O)CC(C)(C)C#N)C1	ZINC000892932983	623866448	/nfs/dbraw/zinc/86/64/48/623866448.db2.gz	OACWQGJBJIANFR-RKDXNWHRSA-N	-1	0	274.342	0.407	20	30		CCEDRM
N#CCCCS(=O)(=O)[N-]C(=O)C1(C2CC2)CC1	ZINC000892925967	623865904	/nfs/dbraw/zinc/86/59/04/623865904.db2.gz	NEDVHLFHOPRANM-UHFFFAOYSA-N	-1	0	256.327	0.926	20	30		CCEDRM
C[C@H](OC[C@H]1CCCCO1)C(=O)[N-]S(C)(=O)=O	ZINC000049501122	624463062	/nfs/dbraw/zinc/46/30/62/624463062.db2.gz	LGRZYLZYCVVBOS-DTWKUNHWSA-N	-1	0	265.331	0.877	20	30		CCEDRM
N#CCN[C@H]1C[C@H](NC(=O)c2ccc3oc(=O)nc-3[n-]2)C1	ZINC001020923204	624625102	/nfs/dbraw/zinc/62/51/02/624625102.db2.gz	YWGKDLLWHSSMOD-ZKCHVHJHSA-N	-1	0	287.279	0.302	20	30		CCEDRM
C#CCCCCC(=O)NCCn1cnc(C(=O)[O-])c1	ZINC000236473725	625012893	/nfs/dbraw/zinc/01/28/93/625012893.db2.gz	GGNSXPWDQNNTRV-UHFFFAOYSA-N	-1	0	263.297	0.891	20	30		CCEDRM
C=C1CCN(S(=O)(=O)C2(C(=O)[O-])CCC2)CC1	ZINC000905036507	634779992	/nfs/dbraw/zinc/77/99/92/634779992.db2.gz	QZTUJTCHDKJITR-UHFFFAOYSA-N	-1	0	259.327	0.976	20	30		CCEDRM
Cc1cc(C)c(C(=O)[O-])cc1C=NN1CC(=O)NC1=O	ZINC000814778028	631600077	/nfs/dbraw/zinc/60/00/77/631600077.db2.gz	NBLBCSQIXIYZEF-UHFFFAOYSA-N	-1	0	275.264	0.887	20	30		CCEDRM
COc1ccc(C(=O)[N-]S(=O)(=O)N2CCCC2)cn1	ZINC000048869580	631849907	/nfs/dbraw/zinc/84/99/07/631849907.db2.gz	SMMHHGMOSBUXHX-UHFFFAOYSA-N	-1	0	285.325	0.735	20	30		CCEDRM
CC#CCCCC(=O)[N-]S(=O)(=O)N(C)CCC	ZINC000183739823	631936226	/nfs/dbraw/zinc/93/62/26/631936226.db2.gz	AZPSEWHRCAERIE-UHFFFAOYSA-N	-1	0	260.359	0.883	20	30		CCEDRM
Cc1[nH]nc(C(=O)N2C[C@@H](NCC#N)C[C@H]2C)c1[O-]	ZINC000988659790	633073290	/nfs/dbraw/zinc/07/32/90/633073290.db2.gz	CTNQABJCYLZOEY-APPZFPTMSA-N	-1	0	263.301	0.140	20	30		CCEDRM
C[C@H](NC(=S)NN=Cc1cc(C(=O)[O-])nn1C)C1CC1	ZINC000901199063	634205972	/nfs/dbraw/zinc/20/59/72/634205972.db2.gz	TULLZHXTWMCMAX-ZETCQYMHSA-N	-1	0	295.368	0.715	20	30		CCEDRM
C[C@H]1CC(NN=Cc2cc(C(=O)[O-])nn2C)C[C@H](C)O1	ZINC000901300003	634221281	/nfs/dbraw/zinc/22/12/81/634221281.db2.gz	QCIDVAJJTUHUGX-IUCAKERBSA-N	-1	0	280.328	0.998	20	30		CCEDRM
Cc1c(S(=O)(=O)N[C@@H](CC#N)C(F)(F)F)cnn1C	ZINC000901771383	634275300	/nfs/dbraw/zinc/27/53/00/634275300.db2.gz	IWGPBIRAXNPTLN-QMMMGPOBSA-N	-1	0	296.274	0.851	20	30		CCEDRM
CC(C)(C#N)CS(=O)(=O)N(CCC(=O)[O-])C1CC1	ZINC000905984964	634944247	/nfs/dbraw/zinc/94/42/47/634944247.db2.gz	AFUCUWAQNBVTAF-UHFFFAOYSA-N	-1	0	274.342	0.805	20	30		CCEDRM
CC(C)[C@@H](C#N)[N-]S(=O)(=O)N=S1(=O)CCCC1	ZINC000906063227	634955166	/nfs/dbraw/zinc/95/51/66/634955166.db2.gz	FTAVCISAPGUANK-SECBINFHSA-N	-1	0	279.387	0.631	20	30		CCEDRM
C[C@@H]1CN(C(=O)C2(C#N)CCSCC2)C[C@H](C(=O)[O-])O1	ZINC000907691977	635187391	/nfs/dbraw/zinc/18/73/91/635187391.db2.gz	PONQCEOCGFTUQO-NXEZZACHSA-N	-1	0	298.364	0.724	20	30		CCEDRM
C=C[C@@H](O)C(=O)Nc1nc2c(s1)CC[C@@H](C(=O)[O-])C2	ZINC000910676808	635822254	/nfs/dbraw/zinc/82/22/54/635822254.db2.gz	IUMMQUXXUIOSJY-HTRCEHHLSA-N	-1	0	282.321	0.818	20	30		CCEDRM
C=CC[C@@H](CO)CNC(=O)CC1(C(=O)[O-])CCOCC1	ZINC000911650495	636333231	/nfs/dbraw/zinc/33/32/31/636333231.db2.gz	BLFAIHZUQXHZJY-LLVKDONJSA-N	-1	0	285.340	0.559	20	30		CCEDRM
C[C@H]1C(=O)N([N-]C(=O)c2cscc2C#N)C(=O)N1C	ZINC000912819446	636677411	/nfs/dbraw/zinc/67/74/11/636677411.db2.gz	RXXQGBZMHHAVHT-LURJTMIESA-N	-1	0	278.293	0.547	20	30		CCEDRM
C#CCSCCNC(=O)N[C@H]1CC[C@@H](C(=O)[O-])C1	ZINC000231959129	637236209	/nfs/dbraw/zinc/23/62/09/637236209.db2.gz	CMZRNJRHEZRAJT-ZJUUUORDSA-N	-1	0	270.354	0.905	20	30		CCEDRM
C#CCSCCNC(=O)N1CCSC[C@H]1C(=O)[O-]	ZINC000231960161	637236375	/nfs/dbraw/zinc/23/63/75/637236375.db2.gz	DPHWSMNAACAVKP-VIFPVBQESA-N	-1	0	288.394	0.564	20	30		CCEDRM
Cc1n[nH]c(C(=O)N[C@H]2CCCN(CC#N)[C@H]2C)c1[O-]	ZINC000993221134	637750403	/nfs/dbraw/zinc/75/04/03/637750403.db2.gz	LGZGYCDOQCSNPO-UWVGGRQHSA-N	-1	0	277.328	0.530	20	30		CCEDRM
O=C1[N-]C(=O)C(=NNc2ccc(F)c(F)c2F)C(=O)N1	ZINC000916626352	637912176	/nfs/dbraw/zinc/91/21/76/637912176.db2.gz	LCQJORMBTHJXPY-UHFFFAOYSA-N	-1	0	286.169	0.238	20	30		CCEDRM
N#CC(C(=O)NC1CC1)=C([O-])c1cccc(NC(N)=O)c1	ZINC000916927067	637932690	/nfs/dbraw/zinc/93/26/90/637932690.db2.gz	ISFJNSVGQVWXQW-LLVKDONJSA-N	-1	0	286.291	0.778	20	30		CCEDRM
C#CCCCCC(=O)[N-]S(=O)(=O)C[C@H]1CCCO1	ZINC000180213460	638261028	/nfs/dbraw/zinc/26/10/28/638261028.db2.gz	MZHTWLDPLYZQFD-LLVKDONJSA-N	-1	0	273.354	0.805	20	30		CCEDRM
CC[C@@H](C)OCC(=O)[N-]S(=O)(=O)CCCC#N	ZINC000181262627	638327074	/nfs/dbraw/zinc/32/70/74/638327074.db2.gz	OEXZBGRFLLXJGN-SECBINFHSA-N	-1	0	262.331	0.551	20	30		CCEDRM
N#C[C@]1(C(=O)N2CCC[C@H](C(=O)[O-])C2)CCCOC1	ZINC000923042042	640007603	/nfs/dbraw/zinc/00/76/03/640007603.db2.gz	OMYCUMHJEOHJTL-GXFFZTMASA-N	-1	0	266.297	0.630	20	30		CCEDRM
N#C[C@]1(C(=O)NCCSCC(=O)[O-])CCCOC1	ZINC000923066356	640014253	/nfs/dbraw/zinc/01/42/53/640014253.db2.gz	ZGLJZZUJUQXBEA-LLVKDONJSA-N	-1	0	272.326	0.241	20	30		CCEDRM
N#CC1(C(=O)N2C[C@H]3[C@H](C(=O)[O-])[C@H]3C2)CC2(CC2)C1	ZINC000923107719	640025329	/nfs/dbraw/zinc/02/53/29/640025329.db2.gz	XQDWFAMQEIRCME-MYJAWHEDSA-N	-1	0	260.293	0.859	20	30		CCEDRM
Cc1cc(C(=O)[N-]S(=O)(=O)CC2CC2)ncc1C#N	ZINC000838802695	640271618	/nfs/dbraw/zinc/27/16/18/640271618.db2.gz	OQWFFROIQYDYRM-UHFFFAOYSA-N	-1	0	279.321	0.731	20	30		CCEDRM
C[C@]1(C(=O)[N-]S(=O)(=O)CCCC#N)CCCCO1	ZINC000838850026	640276580	/nfs/dbraw/zinc/27/65/80/640276580.db2.gz	JBFZNXHWVGOLNL-LLVKDONJSA-N	-1	0	274.342	0.695	20	30		CCEDRM
C[C@@H]1CC(=NC(=O)c2cc3c(cc2[O-])OCO3)NO1	ZINC000765374936	640382452	/nfs/dbraw/zinc/38/24/52/640382452.db2.gz	DACDBDRBZDVXRQ-ZCFIWIBFSA-N	-1	0	264.237	0.973	20	30		CCEDRM
Cc1nc2c(nccc2C(=O)Nc2nc(C#N)c(C#N)[n-]2)[nH]1	ZINC000798107272	640477314	/nfs/dbraw/zinc/47/73/14/640477314.db2.gz	GWVCTOTVVOGANT-UHFFFAOYSA-N	-1	0	292.262	0.985	20	30		CCEDRM
Cc1ccc(C(=O)[N-]S(=O)(=O)N2CCCC2)cc1C#N	ZINC000799603952	640587195	/nfs/dbraw/zinc/58/71/95/640587195.db2.gz	AIXXBEOIFBROJX-UHFFFAOYSA-N	-1	0	293.348	0.937	20	30		CCEDRM
N#CC1(CS(=O)(=O)[N-]C(=O)C2=CCOCC2)CCCC1	ZINC000802128495	640686655	/nfs/dbraw/zinc/68/66/55/640686655.db2.gz	RBKYKZFAKBEPCR-UHFFFAOYSA-N	-1	0	298.364	0.863	20	30		CCEDRM
COc1ncc(C=Nn2c(=O)c(C)n[n-]c2=S)s1	ZINC000812223657	640996381	/nfs/dbraw/zinc/99/63/81/640996381.db2.gz	GZEZOXHDDXWJTN-UHFFFAOYSA-N	-1	0	283.338	0.583	20	30		CCEDRM
CCOc1ccc([N+](=O)[O-])cc1C=Nn1c(=O)[n-][nH]c1=O	ZINC000814232938	641061817	/nfs/dbraw/zinc/06/18/17/641061817.db2.gz	STHIQYFXVRAZLH-UHFFFAOYSA-N	-1	0	293.239	0.878	20	30		CCEDRM
Cc1nc2sccn2c1C=Nn1c(=O)[n-][nH]c1=O	ZINC000814231994	641061905	/nfs/dbraw/zinc/06/19/05/641061905.db2.gz	SOVPWCWZVOUZOB-UHFFFAOYSA-N	-1	0	264.270	0.589	20	30		CCEDRM
O=c1[n-][nH]c(=O)n1N=Cc1ccc([N+](=O)[O-])s1	ZINC000814232374	641062155	/nfs/dbraw/zinc/06/21/55/641062155.db2.gz	TWLBCYPYCTUTRJ-UHFFFAOYSA-N	-1	0	255.215	0.541	20	30		CCEDRM
C[C@@H]1C(N=NC2=NC(=O)C(=O)N2)CC[C@@H](C(=O)[O-])C1(C)C	ZINC000814890655	641080965	/nfs/dbraw/zinc/08/09/65/641080965.db2.gz	ZUCKUESMERDTTJ-RQJHMYQMSA-N	-1	0	294.311	0.101	20	30		CCEDRM
O=C1CNC(=O)N1N=Cc1cccc(O)c1Cl	ZINC000814892746	641081035	/nfs/dbraw/zinc/08/10/35/641081035.db2.gz	MKLHCQKBFCDLCW-UHFFFAOYSA-N	-1	0	253.645	0.931	20	30		CCEDRM
O=C([O-])CNN=Cc1cnc(C2OCCO2)s1	ZINC000814960551	641084858	/nfs/dbraw/zinc/08/48/58/641084858.db2.gz	TWQCNTUNHLCPKP-UHFFFAOYSA-N	-1	0	257.271	0.197	20	30		CCEDRM
Cc1cnn(C)c1S(=O)(=O)[N-]C(=O)CC1(C#N)CC1	ZINC000816095341	641141439	/nfs/dbraw/zinc/14/14/39/641141439.db2.gz	YFHWAVPLUJVFOY-UHFFFAOYSA-N	-1	0	282.325	0.227	20	30		CCEDRM
O=C(N[C@H]1CCN(O)C1=O)c1n[n-]c2ccccc2c1=O	ZINC000816691826	641192981	/nfs/dbraw/zinc/19/29/81/641192981.db2.gz	ABDJFWGNJJYIBX-VIFPVBQESA-N	-1	0	288.263	0.055	20	30		CCEDRM
C[C@](C#N)(CC(=O)[O-])C(=O)N1CCC(CCC(N)=O)CC1	ZINC000819811479	641433271	/nfs/dbraw/zinc/43/32/71/641433271.db2.gz	PLALTGRWTPAGDX-CQSZACIVSA-N	-1	0	295.339	0.495	20	30		CCEDRM
N#CCCS(=O)(=O)[N-]C(=O)CSc1ccncc1	ZINC000821582066	641610366	/nfs/dbraw/zinc/61/03/66/641610366.db2.gz	BVAXCWIBGUFKAC-UHFFFAOYSA-N	-1	0	285.350	0.533	20	30		CCEDRM
Cc1ccc(C(=O)[N-]S(=O)(=O)CCC#N)cc1[N+](=O)[O-]	ZINC000821582669	641611056	/nfs/dbraw/zinc/61/10/56/641611056.db2.gz	URNFBKFPVPINRT-UHFFFAOYSA-N	-1	0	297.292	0.877	20	30		CCEDRM
N#CCCS(=O)(=O)[N-]C(=O)[C@H]1CC1(Cl)Cl	ZINC000821583763	641611214	/nfs/dbraw/zinc/61/12/14/641611214.db2.gz	HAYRKUHDQCMHLV-RXMQYKEDSA-N	-1	0	271.125	0.540	20	30		CCEDRM
N#CCCS(=O)(=O)[N-]C(=O)c1ccc2c(c1)OCO2	ZINC000821584096	641611262	/nfs/dbraw/zinc/61/12/62/641611262.db2.gz	RFUCQVPKUKRBNN-UHFFFAOYSA-N	-1	0	282.277	0.389	20	30		CCEDRM
N#CCCS(=O)(=O)[N-]C(=O)[C@@H]1COc2ccccc2C1	ZINC000821584274	641611708	/nfs/dbraw/zinc/61/17/08/641611708.db2.gz	WZFWWSKCPKPXAB-NSHDSACASA-N	-1	0	294.332	0.597	20	30		CCEDRM
C[C@@H](CN(C)C(=O)[O-])C(=O)N[C@@]1(C#N)CCSC1	ZINC000824848324	641849270	/nfs/dbraw/zinc/84/92/70/641849270.db2.gz	NOQLNZURHFJIQL-GZMMTYOYSA-N	-1	0	271.342	0.748	20	30		CCEDRM
N#Cc1c(-c2nnn[n-]2)ncn1CC(=O)c1ccccc1	ZINC000826383032	641931621	/nfs/dbraw/zinc/93/16/21/641931621.db2.gz	HISIYJOHBWJCGB-UHFFFAOYSA-N	-1	0	279.263	0.818	20	30		CCEDRM
C[C@@H](C#N)C(=O)N1CC[C@@](C)([N-]C(=O)C(F)(F)F)C1	ZINC000830820253	642295309	/nfs/dbraw/zinc/29/53/09/642295309.db2.gz	DRWKEGOFFDCMAQ-OIBJUYFYSA-N	-1	0	277.246	0.816	20	30		CCEDRM
C#CCO[C@@H](C)C(=O)[N-]S(=O)(=O)CCc1ccccc1	ZINC000835118032	642648718	/nfs/dbraw/zinc/64/87/18/642648718.db2.gz	QEAHKXXKJJCSCL-LBPRGKRZSA-N	-1	0	295.360	0.713	20	30		CCEDRM
N#CCCS(=O)(=O)[N-]C(=O)c1cccc2c1OCO2	ZINC000835409970	642660679	/nfs/dbraw/zinc/66/06/79/642660679.db2.gz	AZPYNYNJHCHIHI-UHFFFAOYSA-N	-1	0	282.277	0.389	20	30		CCEDRM
Cc1nn(C)c(C)c1S(=O)(=O)[N-]C(=O)CCCCC#N	ZINC000847618041	643537715	/nfs/dbraw/zinc/53/77/15/643537715.db2.gz	FYYSYFRRICDEAN-UHFFFAOYSA-N	-1	0	298.368	0.926	20	30		CCEDRM
N#CC(C(=O)NC1CC1)=C([O-])c1ccc2c(n1)OCCO2	ZINC000847624221	643539038	/nfs/dbraw/zinc/53/90/38/643539038.db2.gz	MCOXUSVGNFWBEM-VIFPVBQESA-N	-1	0	287.275	0.454	20	30		CCEDRM
N#CC1(CS(=O)(=O)[N-]C(=O)c2ncccc2F)CC1	ZINC000850939815	643822619	/nfs/dbraw/zinc/82/26/19/643822619.db2.gz	BZKHNTGPWZZFCF-UHFFFAOYSA-N	-1	0	283.284	0.584	20	30		CCEDRM
C[C@H](CC#N)C(=O)[N-]S(=O)(=O)CC1(C#N)CCC1	ZINC000850960328	643824353	/nfs/dbraw/zinc/82/43/53/643824353.db2.gz	DZDPWTLDDBKHCT-SECBINFHSA-N	-1	0	269.326	0.676	20	30		CCEDRM
N#C[C@]1(c2ccccn2)CCCN(Cc2n[nH]c(=O)[n-]2)C1	ZINC000852333048	643954873	/nfs/dbraw/zinc/95/48/73/643954873.db2.gz	YCXFFWMUJZSRHP-CQSZACIVSA-N	-1	0	284.323	0.963	20	30		CCEDRM
O=C([O-])Cn1cc(/C=C2/CCn3nccc3C2=O)nn1	ZINC000853009249	644066907	/nfs/dbraw/zinc/06/69/07/644066907.db2.gz	HQZWLWZGBYVAIV-YVMONPNESA-N	-1	0	273.252	0.229	20	30		CCEDRM
N#CCCCS(=O)(=O)[N-]C(=O)Cc1cscn1	ZINC000853113653	644077003	/nfs/dbraw/zinc/07/70/03/644077003.db2.gz	CTONWDGXJGGKEA-UHFFFAOYSA-N	-1	0	273.339	0.435	20	30		CCEDRM
N#Cc1ccc(CC(=O)[N-]S(=O)(=O)CC(F)F)cn1	ZINC000860876782	644837173	/nfs/dbraw/zinc/83/71/73/644837173.db2.gz	IYSIPDNKBUOZMH-UHFFFAOYSA-N	-1	0	289.263	0.207	20	30		CCEDRM
C[C@@H](CC#N)C(=O)[N-]S(=O)(=O)[C@H]1COC(C)(C)C1	ZINC000861141621	644859101	/nfs/dbraw/zinc/85/91/01/644859101.db2.gz	ZNQIMNVJWROFSQ-DTWKUNHWSA-N	-1	0	274.342	0.550	20	30		CCEDRM
C[C@@H](CC#N)C(=O)[N-]S(=O)(=O)C1(C(F)F)CC1	ZINC000861159046	644862930	/nfs/dbraw/zinc/86/29/30/644862930.db2.gz	NFCPUHJRRFRJBM-LURJTMIESA-N	-1	0	266.269	0.780	20	30		CCEDRM
C[C@H](Cc1c[nH]cn1)C(=O)Nc1nc(C#N)c(C#N)[n-]1	ZINC000863858085	645138104	/nfs/dbraw/zinc/13/81/04/645138104.db2.gz	YTQIAVPXLXWWGH-SSDOTTSWSA-N	-1	0	269.268	0.693	20	30		CCEDRM
N#Cc1ccccc1S(=O)(=O)[N-]N1CCCC1=O	ZINC000867593952	645636501	/nfs/dbraw/zinc/63/65/01/645636501.db2.gz	LNUJVVXBBFTRPQ-UHFFFAOYSA-N	-1	0	265.294	0.374	20	30		CCEDRM
N#Cc1ccc(S(=O)(=O)[N-]N2CCCC2=O)cc1	ZINC000867592828	645636539	/nfs/dbraw/zinc/63/65/39/645636539.db2.gz	BTISEAGMDGIUDX-UHFFFAOYSA-N	-1	0	265.294	0.374	20	30		CCEDRM
C[C@@H]1C[C@H](C(=O)[N-]S(=O)(=O)CCCC#N)[C@H](C)O1	ZINC000870270307	645977136	/nfs/dbraw/zinc/97/71/36/645977136.db2.gz	UTSGITWTWQLULF-UTLUCORTSA-N	-1	0	274.342	0.550	20	30		CCEDRM
C[C@@H]1C[C@@H](C(=O)[N-]S(=O)(=O)CCC#N)[C@H](C)O1	ZINC000870350378	645984953	/nfs/dbraw/zinc/98/49/53/645984953.db2.gz	BPKYABXGYYAGAK-HRDYMLBCSA-N	-1	0	260.315	0.160	20	30		CCEDRM
N#Cc1cccc(O[N-]C(=O)[C@@H]2CCCN2C=O)c1	ZINC000870690704	646018146	/nfs/dbraw/zinc/01/81/46/646018146.db2.gz	TULBBUUYNJYRFP-LBPRGKRZSA-N	-1	0	259.265	0.589	20	30		CCEDRM
N#CCCCS(=O)(=O)[N-]C(=O)Cc1ccoc1	ZINC000127483408	647023910	/nfs/dbraw/zinc/02/39/10/647023910.db2.gz	SHYAKGMYKLTWFV-UHFFFAOYSA-N	-1	0	256.283	0.572	20	30		CCEDRM
C[C@@H](C#N)Cn1[n-]c2c(c1=O)CC1(CC2)OCCO1	ZINC000887284908	648087716	/nfs/dbraw/zinc/08/77/16/648087716.db2.gz	DSFMAUYTLVGFSH-VHSXEESVSA-N	-1	0	263.297	0.887	20	30		CCEDRM
CC(C)CCn1cc(C([O-])=C(C#N)C(=O)NC2CC2)nn1	ZINC000158735312	649309440	/nfs/dbraw/zinc/30/94/40/649309440.db2.gz	HLMLOINLMGLUIC-LLVKDONJSA-N	-1	0	289.339	0.925	20	30		CCEDRM
Cc1noc(C)c1C(=O)[N-]S(=O)(=O)N1CCCC1	ZINC000048869447	649327477	/nfs/dbraw/zinc/32/74/77/649327477.db2.gz	MQHIUQKDJHNCTR-UHFFFAOYSA-N	-1	0	273.314	0.937	20	30		CCEDRM
C#CCCCC(=O)[N-]S(=O)(=O)C[C@H]1CCCO1	ZINC000191415426	649475939	/nfs/dbraw/zinc/47/59/39/649475939.db2.gz	QDTLONHMHMTIOV-SNVBAGLBSA-N	-1	0	259.327	0.415	20	30		CCEDRM
N#Cc1cc(F)ccc1N1CCOC[C@@H]1C(=O)[O-]	ZINC000088377450	649639581	/nfs/dbraw/zinc/63/95/81/649639581.db2.gz	RKHSEDORLFOAIH-LLVKDONJSA-N	-1	0	250.229	0.987	20	30		CCEDRM
C=CCN(CC(=O)[O-])C(=O)Cc1c(C)noc1C	ZINC000092461794	649723880	/nfs/dbraw/zinc/72/38/80/649723880.db2.gz	SMICIDXFCJXUCH-UHFFFAOYSA-N	-1	0	252.270	0.933	20	30		CCEDRM
C=C[C@H](C(=O)[O-])N1CCN(CC(F)(F)F)CC1	ZINC000304240848	963131347	/nfs/dbraw/zinc/13/13/47/963131347.db2.gz	YGTRIJBXYZTZFA-MRVPVSSYSA-N	-1	0	252.236	0.806	20	30		CCEDRM
C=CCC1(C(=O)[O-])CN(S(=O)(=O)N2CCCCC2)C1	ZINC000722903539	791021837	/nfs/dbraw/zinc/02/18/37/791021837.db2.gz	HNBROQQXLRZRHJ-UHFFFAOYSA-N	-1	0	288.369	0.680	20	30		CCEDRM
C=CCCC(=O)N(C)C[C@@H]1CCN1Cc1n[nH]c(=O)[n-]1	ZINC001231170241	805742995	/nfs/dbraw/zinc/74/29/95/805742995.db2.gz	NZBZZRNLGIMPND-JTQLQIEISA-N	-1	0	279.344	0.509	20	30		CCEDRM
C[C@@H](O)CC(=O)Oc1[n-]c(=O)nc2ccc(C#N)cc21	ZINC001234531099	806267667	/nfs/dbraw/zinc/26/76/67/806267667.db2.gz	QVWBFVVZCRTGRP-SSDOTTSWSA-N	-1	0	273.248	0.883	20	30		CCEDRM
C[C@@H]1CN(c2[n-]c(=O)n(C)c(=O)c2C#N)[C@@H](C)[C@H]1C	ZINC001120857063	798950474	/nfs/dbraw/zinc/95/04/74/798950474.db2.gz	PIVHUNWZDAFFIS-VGMNWLOBSA-N	-1	0	262.313	0.426	20	30		CCEDRM
C=C[C@@H]1CCCCN1c1[n-]c(=O)n(C)c(=O)c1C#N	ZINC001120927054	798963829	/nfs/dbraw/zinc/96/38/29/798963829.db2.gz	LFEOUEGARNSQFO-SECBINFHSA-N	-1	0	260.297	0.490	20	30		CCEDRM
C#C[C@@H]1COCCN1C(=O)NC[C@H](CC)C(=O)[O-]	ZINC001121836851	799075064	/nfs/dbraw/zinc/07/50/64/799075064.db2.gz	YJPYIAQJWTXGRQ-VHSXEESVSA-N	-1	0	254.286	0.141	20	30		CCEDRM
C=C(C)Cn1c(CCc2nn[nH]n2)nnc1N(CC)CC	ZINC001122616573	799275519	/nfs/dbraw/zinc/27/55/19/799275519.db2.gz	MNENQHYIGGFJJV-UHFFFAOYSA-N	-1	0	290.375	0.999	20	30		CCEDRM
CNC(=O)C(C#N)=C([O-])c1c[nH]c(C(=O)N2CCCC2)c1	ZINC001122624819	799277665	/nfs/dbraw/zinc/27/76/65/799277665.db2.gz	JBJYNAJFMHAMRC-JTQLQIEISA-N	-1	0	288.307	0.319	20	30		CCEDRM
C=CCCO[C@H](C)C(=O)N1CCC[C@@H](Cc2nnn[n-]2)C1	ZINC001123915351	799502996	/nfs/dbraw/zinc/50/29/96/799502996.db2.gz	UEXUQGFFYWUEQN-NEPJUHHUSA-N	-1	0	293.371	0.962	20	30		CCEDRM
CC1(C)C[C@@]1(C#N)NC(=O)CCCn1c(=O)[n-][nH]c1=O	ZINC001141609698	800024614	/nfs/dbraw/zinc/02/46/14/800024614.db2.gz	QWQZDFJWNONAPO-LBPRGKRZSA-N	-1	0	279.300	0.278	20	30		CCEDRM
N=C(c1nonc1N)N(O)C(=O)c1ccc2cc[nH]c2n1	ZINC001151588828	800440583	/nfs/dbraw/zinc/44/05/83/800440583.db2.gz	LZQKLDHDFXFHHZ-UHFFFAOYSA-N	-1	0	287.239	0.385	20	30		CCEDRM
N#Cc1c(F)ccnc1N[C@@H]1SC(=O)[N-]C1=O	ZINC001155840835	801063653	/nfs/dbraw/zinc/06/36/53/801063653.db2.gz	BAPTXFDBSLKRCN-MRVPVSSYSA-N	-1	0	252.230	0.813	20	30		CCEDRM
C=CC[C@H](CO)NC(=O)c1cccc(-c2nc(=O)o[n-]2)c1	ZINC001156150261	801116810	/nfs/dbraw/zinc/11/68/10/801116810.db2.gz	UFEYFHKWULCVHT-LLVKDONJSA-N	-1	0	289.291	0.697	20	30		CCEDRM
CC[C@H](NC(=O)c1[n-]c(=O)c(C#N)cc1C)[C@@H](C)O	ZINC001157766679	801475514	/nfs/dbraw/zinc/47/55/14/801475514.db2.gz	NBQJHZJXBRZJKO-SCZZXKLOSA-N	-1	0	263.297	0.857	20	30		CCEDRM
N#Cc1cc([N+](=O)[O-])cnc1NCC(=O)CCC(=O)[O-]	ZINC001160874339	802038341	/nfs/dbraw/zinc/03/83/41/802038341.db2.gz	UPHRNPMAONUBOK-UHFFFAOYSA-N	-1	0	278.224	0.707	20	30		CCEDRM
Cn1cc([N-]S(=O)(=O)C2CCOCC2)c(C#N)n1	ZINC001259908521	808797587	/nfs/dbraw/zinc/79/75/87/808797587.db2.gz	SGHAPVGVJZETME-UHFFFAOYSA-N	-1	0	270.314	0.212	20	30		CCEDRM
C=CCS(=O)(=O)[N-]c1ncsc1C(=O)OC	ZINC001259922557	808804730	/nfs/dbraw/zinc/80/47/30/808804730.db2.gz	BLDFIOCQWPOYMG-UHFFFAOYSA-N	-1	0	262.312	0.857	20	30		CCEDRM
CCc1nc(C#N)c(C#N)nc1-c1cnn(CC(=O)[O-])c1	ZINC001242184528	806996235	/nfs/dbraw/zinc/99/62/35/806996235.db2.gz	VCLFCRJVMBFFIY-UHFFFAOYSA-N	-1	0	282.263	0.730	20	30		CCEDRM
N#C[C@H]1CNCCN1C(=O)c1cc(F)c(F)c([O-])c1F	ZINC000091750056	803681881	/nfs/dbraw/zinc/68/18/81/803681881.db2.gz	KWYSRVCVVIWRDW-LURJTMIESA-N	-1	0	285.225	0.747	20	30		CCEDRM
C=CCOC[C@H](CS(=O)(=O)[O-])Oc1nnccc1C#N	ZINC001229606613	814972125	/nfs/dbraw/zinc/97/21/25/814972125.db2.gz	IGJMZZTXWJPFPU-SNVBAGLBSA-N	-1	0	299.308	0.186	20	30		CCEDRM
COC(=O)[C@H](CCO)Oc1[n-]c(=O)cc(C)c1C#N	ZINC001218216790	803937301	/nfs/dbraw/zinc/93/73/01/803937301.db2.gz	NFSYOVVFXQRPLY-VIFPVBQESA-N	-1	0	266.253	0.270	20	30		CCEDRM
C=CCOC[C@@H](CS(=O)(=O)[O-])OCc1ccon1	ZINC001222731213	804930443	/nfs/dbraw/zinc/93/04/43/804930443.db2.gz	SZLULLVYGCSVEQ-JTQLQIEISA-N	-1	0	277.298	0.650	20	30		CCEDRM
C=CCOC[C@@H](CS(=O)(=O)[O-])OCc1cc(C)on1	ZINC001222977219	804942962	/nfs/dbraw/zinc/94/29/62/804942962.db2.gz	HAVMUHBTQUMPBA-NSHDSACASA-N	-1	0	291.325	0.959	20	30		CCEDRM
C=CCOC[C@@H](CS(=O)(=O)[O-])OC[C@@H]1CCOC1	ZINC001224483272	805042014	/nfs/dbraw/zinc/04/20/14/805042014.db2.gz	YTVJSRCYEBETBT-MNOVXSKESA-N	-1	0	280.342	0.499	20	30		CCEDRM
C=CCOC[C@@H](CS(=O)(=O)[O-])OCC(C)(OC)OC	ZINC001224678115	805069473	/nfs/dbraw/zinc/06/94/73/805069473.db2.gz	HQAMUUYGHJKNIC-JTQLQIEISA-N	-1	0	298.357	0.471	20	30		CCEDRM
C=C[C@]1(C)CC[C@H](C(C)(C)Oc2c([O-])c(=O)c(=O)c2=O)O1	ZINC001225829737	805167319	/nfs/dbraw/zinc/16/73/19/805167319.db2.gz	BCMRMMGVAPDUHF-ANRSDYALSA-N	-1	0	294.303	0.630	20	30		CCEDRM
COc1cccc(CC#N)c1OC(=O)[C@@H](O)CC(=O)[O-]	ZINC001225842376	805169459	/nfs/dbraw/zinc/16/94/59/805169459.db2.gz	DAYFGXMVYPLDMX-VIFPVBQESA-N	-1	0	279.248	0.502	20	30		CCEDRM
C=C[C@@H](Oc1[nH]c(=O)ncc1C(=O)OCC)C(=O)OC	ZINC001225899411	805175139	/nfs/dbraw/zinc/17/51/39/805175139.db2.gz	LNHIVTVGGWFNBO-MRVPVSSYSA-N	-1	0	282.252	0.465	20	30		CCEDRM
C#CC(C#C)Oc1nc(=O)[n-]c(C(=O)OCC)c1[N+](=O)[O-]	ZINC001226015825	805186066	/nfs/dbraw/zinc/18/60/66/805186066.db2.gz	OAOKRMUBYSXPFK-UHFFFAOYSA-N	-1	0	291.219	0.281	20	30		CCEDRM
CC(=O)N1CCC(Oc2nccc(/C=N/O)n2)CC1	ZINC001226253522	805211932	/nfs/dbraw/zinc/21/19/32/805211932.db2.gz	JOAZWAYUASGDRX-RIYZIHGNSA-N	-1	0	264.285	0.674	20	30		CCEDRM
CC(C)c1ccc(C#N)c(OC(=O)[C@@H](O)CC(=O)[O-])n1	ZINC001226357275	805222924	/nfs/dbraw/zinc/22/29/24/805222924.db2.gz	XTSIELPJUDLVEM-JTQLQIEISA-N	-1	0	278.264	0.818	20	30		CCEDRM
C=C[C@@H](Oc1[n-]c(=O)nc2cnncc21)C(=O)OC	ZINC001226693259	805267202	/nfs/dbraw/zinc/26/72/02/805267202.db2.gz	UIZTZKCEPJNCCM-MRVPVSSYSA-N	-1	0	262.225	0.232	20	30		CCEDRM
C#CC(C#C)Oc1n[n-]c(=O)cc1Br	ZINC001226849523	805286193	/nfs/dbraw/zinc/28/61/93/805286193.db2.gz	NZLQKBCPNZJSET-UHFFFAOYSA-N	-1	0	253.055	0.959	20	30		CCEDRM
Cc1nc(OC(=O)[C@@H](O)CC(=O)[O-])c(C#N)c(C)c1Cl	ZINC001227827708	805395085	/nfs/dbraw/zinc/39/50/85/805395085.db2.gz	GEOWSJIGYCBOIQ-QMMMGPOBSA-N	-1	0	298.682	0.965	20	30		CCEDRM
N#Cc1ccc(Cl)cc1OC(=O)[C@@H](O)CC(=O)[O-]	ZINC001228084450	805412926	/nfs/dbraw/zinc/41/29/26/805412926.db2.gz	LWUGVKQJQSDEMK-QMMMGPOBSA-N	-1	0	269.640	0.953	20	30		CCEDRM
O=C([O-])C[C@H](O)C(=O)Oc1cccc2c1C(=O)C=CC2=O	ZINC001228471379	805448033	/nfs/dbraw/zinc/44/80/33/805448033.db2.gz	WIBMYDHZSFPHJB-JTQLQIEISA-N	-1	0	290.227	0.363	20	30		CCEDRM
CCCc1cc(C)nc(OC(=O)[C@H](O)CC(=O)[O-])c1C#N	ZINC001228600150	805458338	/nfs/dbraw/zinc/45/83/38/805458338.db2.gz	XUCMHRLRQOPLLQ-LLVKDONJSA-N	-1	0	292.291	0.955	20	30		CCEDRM
C=C[C@@](C)(O)CNc1ccc(S(=O)(=O)[N-]C(C)=O)cc1	ZINC001252539717	807905151	/nfs/dbraw/zinc/90/51/51/807905151.db2.gz	XRWJBVAWRXFHGT-CYBMUJFWSA-N	-1	0	298.364	0.860	20	30		CCEDRM
CN1CCc2c(C#N)c([N-]S(C)(=O)=O)sc2C1	ZINC001252629818	807923340	/nfs/dbraw/zinc/92/33/40/807923340.db2.gz	XFFMVCNFMGXMDH-UHFFFAOYSA-N	-1	0	271.367	0.979	20	30		CCEDRM
CC(C)C[C@H]([N-]S(=O)(=O)CC(F)(F)F)C(=O)NO	ZINC001253261338	808040687	/nfs/dbraw/zinc/04/06/87/808040687.db2.gz	PBFKWWBSTXAVJW-LURJTMIESA-N	-1	0	292.279	0.388	20	30		CCEDRM
Cn1cnc([N-]S(=O)(=O)c2cccnc2)c1C#N	ZINC001259602532	808762003	/nfs/dbraw/zinc/76/20/03/808762003.db2.gz	GXNJTWQGVGSWMM-UHFFFAOYSA-N	-1	0	263.282	0.488	20	30		CCEDRM
C=CCS(=O)(=O)[N-]c1ncnc(OC)c1OC	ZINC001259923082	808805546	/nfs/dbraw/zinc/80/55/46/808805546.db2.gz	RGCOQXBXKASJER-UHFFFAOYSA-N	-1	0	259.287	0.422	20	30		CCEDRM
CC(C)n1ncc(C#N)c1[N-]S(=O)(=O)c1ccn(C)n1	ZINC001259938636	808813746	/nfs/dbraw/zinc/81/37/46/808813746.db2.gz	RIBWZPOPIYVJLZ-UHFFFAOYSA-N	-1	0	294.340	0.870	20	30		CCEDRM
CCOC(=O)COc1ccc(C=NNCC(=O)[O-])cc1	ZINC001261236466	808935161	/nfs/dbraw/zinc/93/51/61/808935161.db2.gz	JVCPILIQAPBJIR-UHFFFAOYSA-N	-1	0	280.280	0.637	20	30		CCEDRM
N#CCCCCC(=O)[N-]S(=O)(=O)C[C@H]1CCCOC1	ZINC001261549624	809016162	/nfs/dbraw/zinc/01/61/62/809016162.db2.gz	ZJLGCCZOAAXQCQ-NSHDSACASA-N	-1	0	288.369	0.943	20	30		CCEDRM
C=CCC[C@H]1CCCN1C(=O)NCC(=O)[N-]OC	ZINC001263179176	809472736	/nfs/dbraw/zinc/47/27/36/809472736.db2.gz	HEBFOECATDWLOD-JTQLQIEISA-N	-1	0	255.318	0.804	20	30		CCEDRM
COCCNC(=O)C(C#N)=C([O-])c1cnc(COC)s1	ZINC001263294138	809504614	/nfs/dbraw/zinc/50/46/14/809504614.db2.gz	MPXBHUKKRUVMRI-QMMMGPOBSA-N	-1	0	297.336	0.375	20	30		CCEDRM
Cc1ccc(C#N)c(N2CC[C@H](NC(=O)c3cn[nH]n3)C2)n1	ZINC001058599556	811424614	/nfs/dbraw/zinc/42/46/14/811424614.db2.gz	TZVXGKJKDOEKFH-NSHDSACASA-N	-1	0	297.322	0.389	20	30		CCEDRM
C=CC[C@H]1CCN(C(=O)Cn2c(=O)[n-][nH]c2=O)C1	ZINC001167720668	811642258	/nfs/dbraw/zinc/64/22/58/811642258.db2.gz	OXWQGLPSOLHQGZ-QMMMGPOBSA-N	-1	0	252.274	0.114	20	30		CCEDRM
C=CCOC[C@@H](CS(=O)(=O)[O-])OCCOC(C)C	ZINC001222675635	811967657	/nfs/dbraw/zinc/96/76/57/811967657.db2.gz	ZKTUQJSTCGOGDS-NSHDSACASA-N	-1	0	282.358	0.887	20	30		CCEDRM
C=CCOC[C@H](CS(=O)(=O)[O-])OCCOCC	ZINC001204985610	814168776	/nfs/dbraw/zinc/16/87/76/814168776.db2.gz	ARISHZXCOAHYJG-SNVBAGLBSA-N	-1	0	268.331	0.499	20	30		CCEDRM
C=C(Br)CNC(=O)C1(C(=O)[O-])CCOCC1	ZINC000689339992	814751340	/nfs/dbraw/zinc/75/13/40/814751340.db2.gz	OCXXGQZDOVKIRR-UHFFFAOYSA-N	-1	0	292.129	0.893	20	30		CCEDRM
C[C@@H]1C[C@@H](Nc2[n-]c(=O)n(C)c(=O)c2C#N)CS1	ZINC001120857105	816243578	/nfs/dbraw/zinc/24/35/78/816243578.db2.gz	QSHCTOLDAYIYHK-RNFRBKRXSA-N	-1	0	266.326	0.251	20	30		CCEDRM
CO[C@H](C)c1nc(=NC(=O)NCCC#N)s[n-]1	ZINC000350653749	816343481	/nfs/dbraw/zinc/34/34/81/816343481.db2.gz	PLMSTNOMTLRGRP-ZCFIWIBFSA-N	-1	0	255.303	0.703	20	30		CCEDRM
N#Cc1cc(F)c(F)cc1OC(=O)[C@@H](O)CC(=O)[O-]	ZINC001229838436	818516623	/nfs/dbraw/zinc/51/66/23/818516623.db2.gz	QATWAYMONUGAPD-QMMMGPOBSA-N	-1	0	271.175	0.577	20	30		CCEDRM
C#CC[C@@H](NC(=O)[C@H]1CC12CCOCC2)C(=O)[O-]	ZINC000709667876	819794957	/nfs/dbraw/zinc/79/49/57/819794957.db2.gz	QBXBCYCPFGPNCM-NXEZZACHSA-N	-1	0	251.282	0.396	20	30		CCEDRM
C=CCCS(=O)(=O)N1CC[C@@H]2[C@H](C1)[C@H]2C(=O)[O-]	ZINC000710597225	819856482	/nfs/dbraw/zinc/85/64/82/819856482.db2.gz	XLZGJSGJUQLODS-UTLUCORTSA-N	-1	0	259.327	0.545	20	30		CCEDRM
CS(=O)(=O)[N-]c1ccc(C(=O)N[C@@H](C#N)C2CC2)cn1	ZINC001118821775	820926026	/nfs/dbraw/zinc/92/60/26/820926026.db2.gz	OJNNAIJTVRSHBF-JTQLQIEISA-N	-1	0	294.336	0.485	20	30		CCEDRM
C=CC[C@@H](NC(=O)NCCC[C@H](C)CO)C(=O)[O-]	ZINC001119578289	821375001	/nfs/dbraw/zinc/37/50/01/821375001.db2.gz	UAURKTBYJHOMJG-VHSXEESVSA-N	-1	0	258.318	0.724	20	30		CCEDRM
Cc1ncccc1C(=O)[N-]S(=O)(=O)CC1(C#N)CC1	ZINC000793196904	837402528	/nfs/dbraw/zinc/40/25/28/837402528.db2.gz	NJOVVDLKXBZVCY-UHFFFAOYSA-N	-1	0	279.321	0.753	20	30		CCEDRM
Cc1ccc(CC(=O)[N-]S(=O)(=O)CC2(C#N)CC2)o1	ZINC000793197440	837402857	/nfs/dbraw/zinc/40/28/57/837402857.db2.gz	SFKBUSPXEGAJJI-UHFFFAOYSA-N	-1	0	282.321	0.880	20	30		CCEDRM
C[C@@H](C(=O)[N-]S(=O)(=O)CC1(C#N)CC1)c1cnn(C)c1	ZINC000793204344	837407040	/nfs/dbraw/zinc/40/70/40/837407040.db2.gz	IGKBYPXRVOZQGH-SECBINFHSA-N	-1	0	296.352	0.273	20	30		CCEDRM
N#CC1(CS(=O)(=O)[N-]C(=O)C2=COCC2)CC1	ZINC000793204973	837407545	/nfs/dbraw/zinc/40/75/45/837407545.db2.gz	VQHPMOGKUKAHLL-UHFFFAOYSA-N	-1	0	256.283	0.040	20	30		CCEDRM
CN(Cc1n[n-]c(=O)o1)C(=O)c1ccc(C#N)s1	ZINC001183719771	844078501	/nfs/dbraw/zinc/07/85/01/844078501.db2.gz	AXKXWOJBAIZUMP-UHFFFAOYSA-N	-1	0	264.266	0.981	20	30		CCEDRM
N#C[C@@H]1COCCN1C(=O)CCC(=O)C1=CC=C[CH]1	ZINC001184244263	844187335	/nfs/dbraw/zinc/18/73/35/844187335.db2.gz	SEYAEOGKGDDBQN-GFCCVEGCSA-N	-1	0	259.285	0.787	20	30		CCEDRM
C#CCCS(=O)(=O)[N-]C(=O)c1scnc1COC	ZINC000810780895	838402481	/nfs/dbraw/zinc/40/24/81/838402481.db2.gz	WEFHRZGZARVRHX-UHFFFAOYSA-N	-1	0	288.350	0.372	20	30		CCEDRM
CO[N-]C(=O)CNC(=O)[C@@H](C)Oc1ccc(C#N)cc1	ZINC001134634286	839032244	/nfs/dbraw/zinc/03/22/44/839032244.db2.gz	CSUQJMMXZLZEAW-SECBINFHSA-N	-1	0	277.280	0.119	20	30		CCEDRM
CN(Cc1nc(=O)o[n-]1)C(=O)C1(C#N)CCCC1	ZINC001143361393	839862345	/nfs/dbraw/zinc/86/23/45/839862345.db2.gz	ZFWVJRNIBAUAAW-UHFFFAOYSA-N	-1	0	250.258	0.405	20	30		CCEDRM
Cc1ncc(CO)c(C(=O)Nc2[nH]cnc2C#N)c1[O-]	ZINC001147834111	840694929	/nfs/dbraw/zinc/69/49/29/840694929.db2.gz	NLDUCMDDSZYOBC-UHFFFAOYSA-N	-1	0	273.252	0.435	20	30		CCEDRM
CN(CC#N)C(=O)c1cc(=O)n(-c2ccccc2)[n-]1	ZINC001147883913	840712743	/nfs/dbraw/zinc/71/27/43/840712743.db2.gz	CGOASGKXZDUTJK-UHFFFAOYSA-N	-1	0	256.265	0.761	20	30		CCEDRM
C/C=C(\CC)C(=O)NCCn1cc(C#N)c(=O)[n-]c1=O	ZINC001148392834	840791056	/nfs/dbraw/zinc/79/10/56/840791056.db2.gz	KMFRJSXWVLCFJZ-YCRREMRBSA-N	-1	0	276.296	0.293	20	30		CCEDRM
Nc1ccccc1C(=Nc1cnn(CC(=O)[O-])c1)NO	ZINC001176270885	842351149	/nfs/dbraw/zinc/35/11/49/842351149.db2.gz	IYYSSHHQIMKWGI-UHFFFAOYSA-N	-1	0	275.268	0.607	20	30		CCEDRM
Cc1[nH]c(NC(=O)Cn2nn[n-]c2=S)c(C#N)c1C	ZINC001177735766	842661954	/nfs/dbraw/zinc/66/19/54/842661954.db2.gz	NTHGZWGNUJRCBH-UHFFFAOYSA-N	-1	0	277.313	0.417	20	30		CCEDRM
N=C(c1nonc1N)N([O-])C(=O)C(=O)Cc1ccccc1	ZINC001181375273	843468855	/nfs/dbraw/zinc/46/88/55/843468855.db2.gz	HFDKBPAIUJELGY-UHFFFAOYSA-N	-1	0	289.251	0.007	20	30		CCEDRM
Cc1oncc1S(=O)(=O)N[C@@H](CC(C)C)C(=O)NO	ZINC001187421664	844722722	/nfs/dbraw/zinc/72/27/22/844722722.db2.gz	ZGJDXYRHOOHWKW-QMMMGPOBSA-N	-1	0	291.329	0.181	20	30		CCEDRM
Cn1cc([N-]S(=O)(=O)c2ccoc2)c(C#N)n1	ZINC001188576935	844923762	/nfs/dbraw/zinc/92/37/62/844923762.db2.gz	SDKGJKHITCTIIM-UHFFFAOYSA-N	-1	0	252.255	0.686	20	30		CCEDRM
CC(C)C#CC(=O)N1CC[C@@H](N(C)Cc2n[nH]c(=O)[n-]2)C1	ZINC001190053060	845317826	/nfs/dbraw/zinc/31/78/26/845317826.db2.gz	DDTFVBTXLURXOT-LLVKDONJSA-N	-1	0	291.355	0.202	20	30		CCEDRM
CC(=O)NCCNS(=O)(=O)c1cc(C#N)ccc1F	ZINC001190608237	845444304	/nfs/dbraw/zinc/44/43/04/845444304.db2.gz	MPPZIPRAIJTSPM-UHFFFAOYSA-N	-1	0	285.300	0.112	20	30		CCEDRM
C=CCOC[C@@H](CS(=O)(=O)[O-])OCC1CC1	ZINC001205542247	845516794	/nfs/dbraw/zinc/51/67/94/845516794.db2.gz	ZQCJWYMMKPRVOG-JTQLQIEISA-N	-1	0	250.316	0.872	20	30		CCEDRM
C#Cc1ccccc1C(=O)N[C@@H]1SC(=O)[N-]C1=O	ZINC001191116981	845584104	/nfs/dbraw/zinc/58/41/04/845584104.db2.gz	RFCZMOBGAHZBON-LLVKDONJSA-N	-1	0	260.274	0.707	20	30		CCEDRM
N#Cc1ccc(C(=O)N[C@H]2SC(=O)[N-]C2=O)o1	ZINC001192684079	845891246	/nfs/dbraw/zinc/89/12/46/845891246.db2.gz	OLGRDMULLGKBPJ-QMMMGPOBSA-N	-1	0	251.223	0.190	20	30		CCEDRM
N#CCS(=O)(=O)[N-]c1ccnc(N2CCCC2)c1	ZINC001192943024	845930203	/nfs/dbraw/zinc/93/02/03/845930203.db2.gz	GYIFVPZXHBKOCE-UHFFFAOYSA-N	-1	0	266.326	0.947	20	30		CCEDRM
COC(=O)c1ncc(Cl)nc1[N-]S(=O)(=O)CC#N	ZINC001192944072	845931075	/nfs/dbraw/zinc/93/10/75/845931075.db2.gz	YRYGBPBKCALUBJ-UHFFFAOYSA-N	-1	0	290.688	0.182	20	30		CCEDRM
N#CCS(=O)(=O)[N-]c1ncccc1N1CCCC1	ZINC001192950914	845933168	/nfs/dbraw/zinc/93/31/68/845933168.db2.gz	DXMNICHICATEND-UHFFFAOYSA-N	-1	0	266.326	0.947	20	30		CCEDRM
N#CCS(=O)(=O)[N-]c1cc(C(F)(F)F)cnn1	ZINC001192950745	845933275	/nfs/dbraw/zinc/93/32/75/845933275.db2.gz	BYQAMPJJQPWACO-UHFFFAOYSA-N	-1	0	266.204	0.761	20	30		CCEDRM
N#CCS(=O)(=O)[N-]c1ccc2nc(C3CC3)nn2c1	ZINC001192952032	845934370	/nfs/dbraw/zinc/93/43/70/845934370.db2.gz	VUCWLCHOJGNCMM-UHFFFAOYSA-N	-1	0	277.309	0.872	20	30		CCEDRM
COC(=O)c1cc([N-]S(=O)(=O)CC#N)cnc1OC	ZINC001192951745	845934684	/nfs/dbraw/zinc/93/46/84/845934684.db2.gz	PTWKVLOWPSDRMV-UHFFFAOYSA-N	-1	0	285.281	0.142	20	30		CCEDRM
N#CCS(=O)(=O)[N-]c1cccnc1-n1cccn1	ZINC001192928957	845938671	/nfs/dbraw/zinc/93/86/71/845938671.db2.gz	LXYVGEDKIARSFN-UHFFFAOYSA-N	-1	0	263.282	0.533	20	30		CCEDRM
N#CCS(=O)(=O)[N-]c1cncnc1Br	ZINC001192935339	845941371	/nfs/dbraw/zinc/94/13/71/845941371.db2.gz	OPNZWQZYFSWDSX-UHFFFAOYSA-N	-1	0	277.103	0.504	20	30		CCEDRM
CCOc1ncc([N-]S(=O)(=O)CC#N)cc1F	ZINC001192938173	845942042	/nfs/dbraw/zinc/94/20/42/845942042.db2.gz	AMNFMPVOFNWCOD-UHFFFAOYSA-N	-1	0	259.262	0.885	20	30		CCEDRM
CCNC(=O)c1ccccc1[N-]S(=O)(=O)CC#N	ZINC001192972214	845956801	/nfs/dbraw/zinc/95/68/01/845956801.db2.gz	OSFXYSLXKZPGQN-UHFFFAOYSA-N	-1	0	267.310	0.702	20	30		CCEDRM
CCOC(=O)C(C)(C)S(=O)(=O)[N-]c1cnc(C#N)cn1	ZINC001193008942	845965264	/nfs/dbraw/zinc/96/52/64/845965264.db2.gz	OCHWHWHXVCELPM-UHFFFAOYSA-N	-1	0	298.324	0.432	20	30		CCEDRM
C[C@H](C#N)S(=O)(=O)[N-]c1cc(=O)[nH]c(C2CC2)n1	ZINC001193105176	845978285	/nfs/dbraw/zinc/97/82/85/845978285.db2.gz	RQEFPGGIPOYFCP-ZCFIWIBFSA-N	-1	0	268.298	0.713	20	30		CCEDRM
Cc1csc([N-]S(=O)(=O)[C@H](C)C#N)c1C(N)=O	ZINC001193104697	845978919	/nfs/dbraw/zinc/97/89/19/845978919.db2.gz	MBVRUOAIODAMTO-ZCFIWIBFSA-N	-1	0	273.339	0.809	20	30		CCEDRM
C[C@H](C#N)S(=O)(=O)Nc1cc(=O)[n-]c(Cl)n1	ZINC001193105976	845979888	/nfs/dbraw/zinc/97/98/88/845979888.db2.gz	ACRLMUOLYJMWCA-SCSAIBSYSA-N	-1	0	262.678	0.489	20	30		CCEDRM
CCc1cc2ncc([N-]S(=O)(=O)[C@@H](C)C#N)cn2n1	ZINC001193112222	845980846	/nfs/dbraw/zinc/98/08/46/845980846.db2.gz	PCVAGDMYZHGQRX-QMMMGPOBSA-N	-1	0	279.325	0.945	20	30		CCEDRM
COc1nc([N-]S(=O)(=O)[C@@H](C)C#N)c(C)c(OC)n1	ZINC001193111423	845981098	/nfs/dbraw/zinc/98/10/98/845981098.db2.gz	GRVCLAPMDKMTNX-LURJTMIESA-N	-1	0	286.313	0.456	20	30		CCEDRM
N#Cc1cc(C(=O)N2CC[C@H](O)[C@@H](CO)C2)ccc1[O-]	ZINC001193507294	846101599	/nfs/dbraw/zinc/10/15/99/846101599.db2.gz	VBUPGNCDBUDVER-YPMHNXCESA-N	-1	0	276.292	0.079	20	30		CCEDRM
CC(=O)NC[C@H](C)CNC(=O)c1ccc([O-])c(C#N)c1	ZINC001193515769	846102748	/nfs/dbraw/zinc/10/27/48/846102748.db2.gz	RRSLWNWTOGYAJV-VIFPVBQESA-N	-1	0	275.308	0.766	20	30		CCEDRM
COc1ccc(C#N)c(S(=O)(=O)[N-]c2nnco2)c1	ZINC001193635651	846131644	/nfs/dbraw/zinc/13/16/44/846131644.db2.gz	CESZYZWMSAKIBJ-UHFFFAOYSA-N	-1	0	280.265	0.751	20	30		CCEDRM
COCCN1CCN(C(=O)c2cccc(C#N)c2[O-])CC1	ZINC001193642429	846135669	/nfs/dbraw/zinc/13/56/69/846135669.db2.gz	FNAVWXMUPNLIFQ-UHFFFAOYSA-N	-1	0	289.335	0.668	20	30		CCEDRM
COc1ncccc1S(=O)(=O)[N-]c1cncc(C#N)n1	ZINC001194676982	846356104	/nfs/dbraw/zinc/35/61/04/846356104.db2.gz	UGTCVSZIFQBQNK-UHFFFAOYSA-N	-1	0	291.292	0.553	20	30		CCEDRM
C=CCCC(=O)N1CCCN(Cc2n[nH]c(=O)[n-]2)CC1	ZINC001195191560	846474247	/nfs/dbraw/zinc/47/42/47/846474247.db2.gz	KWWFHLJKDOLNNQ-UHFFFAOYSA-N	-1	0	279.344	0.511	20	30		CCEDRM
C#CC[N@@H+](C)CCCNC(=O)N(CC(=O)[O-])CC(C)C	ZINC000380931085	849696791	/nfs/dbraw/zinc/69/67/91/849696791.db2.gz	OFFFAHBQMQSOOW-UHFFFAOYSA-N	-1	0	283.372	0.694	20	30		CCEDRM
C=CCC1(C(=O)[O-])CN(S(=O)(=O)[C@H](C)COC)C1	ZINC000722898576	850167087	/nfs/dbraw/zinc/16/70/87/850167087.db2.gz	TYMKWLBFGMTOBL-SECBINFHSA-N	-1	0	277.342	0.314	20	30		CCEDRM
Cc1n[nH]c(C(=O)N[C@]2(C)CCN(CC#N)C2)c1[O-]	ZINC001046247166	851436679	/nfs/dbraw/zinc/43/66/79/851436679.db2.gz	XHDLGZMGHFNRJP-GFCCVEGCSA-N	-1	0	263.301	0.142	20	30		CCEDRM
C=CCS(=O)(=O)[N-]c1cc(OC)nc(OC)n1	ZINC001259922344	851647114	/nfs/dbraw/zinc/64/71/14/851647114.db2.gz	BOMXVILEYBJIFE-UHFFFAOYSA-N	-1	0	259.287	0.422	20	30		CCEDRM
CNC(=O)C(C#N)=C([O-])c1ccc(OC)c([N+](=O)[O-])c1	ZINC000133206482	853827493	/nfs/dbraw/zinc/82/74/93/853827493.db2.gz	IGJAQZXRAXYWFE-QMMMGPOBSA-N	-1	0	277.236	0.672	20	30		CCEDRM
C#CCSCCNC(=O)N[C@H](CC(F)F)C(=O)[O-]	ZINC000385730020	853899513	/nfs/dbraw/zinc/89/95/13/853899513.db2.gz	KKQCGRJWLGPYQI-SSDOTTSWSA-N	-1	0	280.296	0.760	20	30		CCEDRM
C#CC[C@@H](NC(=O)Cc1ccc(NC(C)=O)cc1)C(=O)[O-]	ZINC000149958678	854009879	/nfs/dbraw/zinc/00/98/79/854009879.db2.gz	PMJFBSDMAJBQOS-CYBMUJFWSA-N	-1	0	288.303	0.780	20	30		CCEDRM
C=CCC[C@@H](NS(=O)(=O)[C@H](C)COC)C(=O)[O-]	ZINC000399668572	854520710	/nfs/dbraw/zinc/52/07/10/854520710.db2.gz	QWJJXQGQHAKCDC-RKDXNWHRSA-N	-1	0	265.331	0.360	20	30		CCEDRM
CC(C)C(C#N)=CNNc1nc2[nH][nH]cc-2c(=O)n1	ZINC001116348101	855750465	/nfs/dbraw/zinc/75/04/65/855750465.db2.gz	NFAOEDXGIVTMSF-SSDOTTSWSA-N	-1	0	259.273	0.625	20	30		CCEDRM
C=C[C@H](COC)NC(=O)C(=O)[N-]OCCC(F)(F)F	ZINC001117580882	856018261	/nfs/dbraw/zinc/01/82/61/856018261.db2.gz	HTIPAZGKAUVCDA-SSDOTTSWSA-N	-1	0	284.234	0.304	20	30		CCEDRM
C=CCO[C@@H]1CCN(C(=O)NC[C@@H](C)C(=O)[O-])C1	ZINC001118326524	856263429	/nfs/dbraw/zinc/26/34/29/856263429.db2.gz	VVQWTLNRNXTIAA-NXEZZACHSA-N	-1	0	256.302	0.694	20	30		CCEDRM
C=CCCn1cc(CN(CCOC)CC(=O)[O-])nn1	ZINC001119534983	856724629	/nfs/dbraw/zinc/72/46/29/856724629.db2.gz	OKGVQARIIMILFT-UHFFFAOYSA-N	-1	0	268.317	0.387	20	30		CCEDRM
C=C(C)C[C@@H](NC(=O)CO[C@H]1CCOC1)C(=O)[O-]	ZINC001119583849	856754064	/nfs/dbraw/zinc/75/40/64/856754064.db2.gz	PXYKQWOEFZNFFN-VHSXEESVSA-N	-1	0	257.286	0.328	20	30		CCEDRM
N#Cc1cccc(NC(=O)C(=O)[N-]OC2CCOCC2)c1	ZINC001324120176	912677773	/nfs/dbraw/zinc/67/77/73/912677773.db2.gz	NFGBUNSSQYYALE-UHFFFAOYSA-N	-1	0	289.291	0.724	20	30		CCEDRM
Cc1nn(C)cc1C=Nn1c(=O)c(C)n[n-]c1=S	ZINC001324433266	912842648	/nfs/dbraw/zinc/84/26/48/912842648.db2.gz	LTWNHTDOLUUJQC-UHFFFAOYSA-N	-1	0	264.314	0.160	20	30		CCEDRM
CSc1[n-]c(=O)c(C(=O)NCCOCCO)cc1C#N	ZINC001326426266	913950485	/nfs/dbraw/zinc/95/04/85/913950485.db2.gz	KDIMYXQCWNWXPQ-UHFFFAOYSA-N	-1	0	297.336	0.119	20	30		CCEDRM
Cc1cc(C#N)ccc1C(=O)NCc1nc(=O)o[n-]1	ZINC001319723666	900904144	/nfs/dbraw/zinc/90/41/44/900904144.db2.gz	LDOCOCSRVDABDD-UHFFFAOYSA-N	-1	0	258.237	0.473	20	30		CCEDRM
CCC[C@H](C)NC(=O)CCn1cc(C#N)c(=O)[n-]c1=O	ZINC001411661191	901185178	/nfs/dbraw/zinc/18/51/78/901185178.db2.gz	BZXWGOYCILMETQ-VIFPVBQESA-N	-1	0	278.312	0.515	20	30		CCEDRM
Cn1cc(C(=O)Nc2nc(C#N)c(C#N)[n-]2)c(Cl)n1	ZINC001412291459	901624854	/nfs/dbraw/zinc/62/48/54/901624854.db2.gz	JTCMZGFIQGJUMI-UHFFFAOYSA-N	-1	0	275.659	0.792	20	30		CCEDRM
N#Cc1c(F)cccc1C(=O)NCc1nc([O-])cc(=O)[nH]1	ZINC001412374669	901668389	/nfs/dbraw/zinc/66/83/89/901668389.db2.gz	IEVBGKZAGKAVPO-UHFFFAOYSA-N	-1	0	288.238	0.829	20	30		CCEDRM
C=CC[C@H](NC(=O)c1ccc(=O)n(CC)n1)C(=O)[O-]	ZINC001327013348	902010509	/nfs/dbraw/zinc/01/05/09/902010509.db2.gz	KGXQYRSQOKGDDB-VIFPVBQESA-N	-1	0	265.269	0.022	20	30		CCEDRM
Cc1cc(CNc2[n-]c(=O)n(C)c(=O)c2C#N)ccn1	ZINC001412895236	902340875	/nfs/dbraw/zinc/34/08/75/902340875.db2.gz	LSBICWCVTOIIJB-UHFFFAOYSA-N	-1	0	271.280	0.261	20	30		CCEDRM
Cc1ccccc1OCCn1c(=O)[n-]cc(C#N)c1=O	ZINC001412919647	902360061	/nfs/dbraw/zinc/36/00/61/902360061.db2.gz	DMQIHCASVNEZBG-UHFFFAOYSA-N	-1	0	271.276	0.796	20	30		CCEDRM
N#Cc1ccc(CC(=O)N2CCOC[C@H]2c2nnn[n-]2)cc1	ZINC001413387085	902921405	/nfs/dbraw/zinc/92/14/05/902921405.db2.gz	MCPBOCUNOPJOSX-LBPRGKRZSA-N	-1	0	298.306	0.214	20	30		CCEDRM
N#Cc1ccc(C(=O)N2CCC(c3nnn[n-]3)CC2)nc1	ZINC001413426469	902940919	/nfs/dbraw/zinc/94/09/19/902940919.db2.gz	LNYNRBNBMPGPPF-UHFFFAOYSA-N	-1	0	283.295	0.486	20	30		CCEDRM
C=C[C@@H](C)O[N-]C(=O)c1ccc(=O)n(CCCOC)n1	ZINC001331220665	903961586	/nfs/dbraw/zinc/96/15/86/903961586.db2.gz	OUFXEFOBRNTETB-SNVBAGLBSA-N	-1	0	281.312	0.516	20	30		CCEDRM
Cc1[nH]nc(C(=O)N2CCC(C)(NCC#N)CC2)c1[O-]	ZINC001281488946	904292734	/nfs/dbraw/zinc/29/27/34/904292734.db2.gz	VAHDPKMUAGAATJ-UHFFFAOYSA-N	-1	0	277.328	0.532	20	30		CCEDRM
Cn1c(=O)[n-]c(NCCCOCC2CC2)c(C#N)c1=O	ZINC001336958606	921127217	/nfs/dbraw/zinc/12/72/17/921127217.db2.gz	NCZDVHFZKINKOP-UHFFFAOYSA-N	-1	0	278.312	0.174	20	30		CCEDRM
C[C@@](C#N)(NC(=O)c1n[nH]c(=O)[n-]c1=O)C1CCCCC1	ZINC001293610825	906499196	/nfs/dbraw/zinc/49/91/96/906499196.db2.gz	UUTOVNBFIINPKF-ZDUSSCGKSA-N	-1	0	291.311	0.875	20	30		CCEDRM
C#CCN(CC#CC)C(=O)c1cccc(-n2[n-]nnc2=N)c1	ZINC001294035404	906549709	/nfs/dbraw/zinc/54/97/09/906549709.db2.gz	WQGXJTOBELNDDG-UHFFFAOYSA-N	-1	0	294.318	0.174	20	30		CCEDRM
CC[C@H](C)N(OC)C(=O)CCn1cc(C#N)c(=O)[n-]c1=O	ZINC001294847454	906643086	/nfs/dbraw/zinc/64/30/86/906643086.db2.gz	ITEPOKUHVLCEFE-VIFPVBQESA-N	-1	0	294.311	0.399	20	30		CCEDRM
N#C[C@H](CO)NC(=O)c1cccc(Br)c1[O-]	ZINC001297879545	907125559	/nfs/dbraw/zinc/12/55/59/907125559.db2.gz	BBRPKZAPOHIWCO-ZCFIWIBFSA-N	-1	0	285.097	0.769	20	30		CCEDRM
C[C@@H]1CCCCN(c2[n-]c(=O)n(C)c(=O)c2C#N)C1	ZINC001337828530	921296637	/nfs/dbraw/zinc/29/66/37/921296637.db2.gz	BEVUJCXPJDYJJH-SECBINFHSA-N	-1	0	262.313	0.572	20	30		CCEDRM
CN(c1[n-]c(=O)n(C)c(=O)c1C#N)C1CC(C)(C)C1	ZINC001338007273	921336966	/nfs/dbraw/zinc/33/69/66/921336966.db2.gz	DSPAFRVMAYAXRH-UHFFFAOYSA-N	-1	0	262.313	0.570	20	30		CCEDRM
CC(C(=O)NCCn1cc(C#N)c(=O)[n-]c1=O)=C1CCC1	ZINC001301213059	907960468	/nfs/dbraw/zinc/96/04/68/907960468.db2.gz	LVRAINQGIVZGGV-UHFFFAOYSA-N	-1	0	288.307	0.437	20	30		CCEDRM
C#CCN(Cc1ccccc1)c1[n-]c(=O)n(C)c(=O)c1C#N	ZINC001307115363	908283108	/nfs/dbraw/zinc/28/31/08/908283108.db2.gz	KFBFGPFFOSRDLJ-UHFFFAOYSA-N	-1	0	294.314	0.585	20	30		CCEDRM
C=CC[C@@H](NC(=O)[C@@H](C)NC(=O)c1ccoc1)C(=O)[O-]	ZINC001321658751	911427532	/nfs/dbraw/zinc/42/75/32/911427532.db2.gz	VUCYBURDJKTDRY-PSASIEDQSA-N	-1	0	280.280	0.543	20	30		CCEDRM
C=CC[C@@H](NC(=O)CNC(=O)CCC(C)C)C(=O)[O-]	ZINC001321658978	911427998	/nfs/dbraw/zinc/42/79/98/911427998.db2.gz	ZOMJJCBAVKWSLV-SNVBAGLBSA-N	-1	0	270.329	0.684	20	30		CCEDRM
C[C@H](CC(C)(C)C)NC(=O)Cn1cc(C#N)c(=O)[n-]c1=O	ZINC001417926956	921707487	/nfs/dbraw/zinc/70/74/87/921707487.db2.gz	LTJLQYPFYVOZEY-SECBINFHSA-N	-1	0	292.339	0.761	20	30		CCEDRM
C=CC[C@H](NC(=O)c1cnn(CCOC)c1C)C(=O)[O-]	ZINC001339524427	921747597	/nfs/dbraw/zinc/74/75/97/921747597.db2.gz	VKBZPMZBHGEMCQ-NSHDSACASA-N	-1	0	281.312	0.597	20	30		CCEDRM
C=CCO[C@@H]1CCN(C(=O)c2cc(=O)n(C)[n-]2)C1	ZINC001328662279	915341499	/nfs/dbraw/zinc/34/14/99/915341499.db2.gz	WCDSNXANYGHXEA-SECBINFHSA-N	-1	0	251.286	0.543	20	30		CCEDRM
C=C[C@H](C)O[N-]C(=O)C(=O)Nc1cn(C)c(=O)cc1C	ZINC001328726037	915391032	/nfs/dbraw/zinc/39/10/32/915391032.db2.gz	GOFNOYRNXPQAOH-VIFPVBQESA-N	-1	0	279.296	0.255	20	30		CCEDRM
C=CC[C@@H](NC(=O)[C@H]1COCCN1C1CCCC1)C(=O)[O-]	ZINC001329213966	915748306	/nfs/dbraw/zinc/74/83/06/915748306.db2.gz	CGMLSXRWYPUADW-CHWSQXEVSA-N	-1	0	296.367	0.775	20	30		CCEDRM
C=C[C@H](C)O[N-]C(=O)C(=O)Nc1cccn(CC)c1=O	ZINC001329676232	916119307	/nfs/dbraw/zinc/11/93/07/916119307.db2.gz	VUFMQLARDLBWLW-VIFPVBQESA-N	-1	0	279.296	0.429	20	30		CCEDRM
C#C[C@@H](CC)NC(=O)NCc1nc2c(c(=O)[nH]1)COCC2	ZINC001330576408	916711557	/nfs/dbraw/zinc/71/15/57/916711557.db2.gz	KPGPDJBQUPDHKP-VIFPVBQESA-N	-1	0	290.323	0.466	20	30		CCEDRM
C=C[C@H](C)O[N-]C(=O)c1ccc(=O)n(CCCOC)n1	ZINC001331220664	917190606	/nfs/dbraw/zinc/19/06/06/917190606.db2.gz	OUFXEFOBRNTETB-JTQLQIEISA-N	-1	0	281.312	0.516	20	30		CCEDRM
C=CC[C@@H](NC(=O)c1cccnc1OCCOC)C(=O)[O-]	ZINC001332171743	917930261	/nfs/dbraw/zinc/93/02/61/917930261.db2.gz	DTSCVULXNAHMPV-LLVKDONJSA-N	-1	0	294.307	0.866	20	30		CCEDRM
COCC[C@@H](NS(=O)(=O)CCCCC#N)C(=O)[O-]	ZINC001332253896	917993466	/nfs/dbraw/zinc/99/34/66/917993466.db2.gz	APCRSFNNPJAEQB-SECBINFHSA-N	-1	0	278.330	0.089	20	30		CCEDRM
Cc1n[nH]c(C(=O)N[C@H](CNCC#N)C(C)(C)C)c1[O-]	ZINC001332786233	918440605	/nfs/dbraw/zinc/44/06/05/918440605.db2.gz	LKAHHGFFWREFHC-SECBINFHSA-N	-1	0	279.344	0.681	20	30		CCEDRM
C=CC[C@H](NC(=O)CCc1cncn1C)C(=O)[O-]	ZINC001334187989	919411058	/nfs/dbraw/zinc/41/10/58/919411058.db2.gz	ONWFBSLNDBAHKU-JTQLQIEISA-N	-1	0	251.286	0.498	20	30		CCEDRM
C=CCCO[N-]C(=O)c1ccc(=O)n(CCCOC)n1	ZINC001334567963	919659175	/nfs/dbraw/zinc/65/91/75/919659175.db2.gz	ZRVKZAOQKZASAD-UHFFFAOYSA-N	-1	0	281.312	0.517	20	30		CCEDRM
C=CC[C@@H](NC(=O)[C@@H]1OC[C@@H]2CCC[C@@H]21)C(=O)[O-]	ZINC001334981132	919878917	/nfs/dbraw/zinc/87/89/17/919878917.db2.gz	RGFFSYIZDNCRJR-UKKRHICBSA-N	-1	0	253.298	0.947	20	30		CCEDRM
C=CCO[C@H]1CCN(Cc2cnc(C(=O)[O-])cn2)C1	ZINC001335365654	920146389	/nfs/dbraw/zinc/14/63/89/920146389.db2.gz	BZHRVUSJHKDYLC-NSHDSACASA-N	-1	0	263.297	0.952	20	30		CCEDRM
Cn1c(=O)[n-]c(N2CCC[C@H]2C2CC2)c(C#N)c1=O	ZINC001336506387	920806996	/nfs/dbraw/zinc/80/69/96/920806996.db2.gz	PRANVSCAYZLJLU-JTQLQIEISA-N	-1	0	260.297	0.324	20	30		CCEDRM
C[C@@H]1CSC[C@@H]1Nc1[n-]c(=O)n(C)c(=O)c1C#N	ZINC001336636621	920892909	/nfs/dbraw/zinc/89/29/09/920892909.db2.gz	IPMOCRLNGVXSDO-SVRRBLITSA-N	-1	0	266.326	0.109	20	30		CCEDRM
Cn1nncc1C([O-])=C(C#N)C(=O)NC1CCCC1	ZINC001341817176	922684558	/nfs/dbraw/zinc/68/45/58/922684558.db2.gz	AYAUVNSNXCPMMH-VIFPVBQESA-N	-1	0	261.285	0.196	20	30		CCEDRM
C=CCNC(=O)C(C#N)=C([O-])c1cnn(C(F)F)c1	ZINC001341851628	922694563	/nfs/dbraw/zinc/69/45/63/922694563.db2.gz	ZSONTOCHHHYHJK-MRVPVSSYSA-N	-1	0	268.223	0.903	20	30		CCEDRM
C=CCNC(=O)C(C#N)=C([O-])c1cnn(CCF)c1	ZINC001341930354	922726696	/nfs/dbraw/zinc/72/66/96/922726696.db2.gz	NORVIRJAMPNZJM-SNVBAGLBSA-N	-1	0	264.260	0.477	20	30		CCEDRM
C=CCn1c(-c2cc(=O)[nH][n-]2)nnc1N1CC=C(C)CC1	ZINC001342242112	922871353	/nfs/dbraw/zinc/87/13/53/922871353.db2.gz	VLHMBNZXTVGZTK-UHFFFAOYSA-N	-1	0	286.339	0.845	20	30		CCEDRM
COCCNC(=O)C(C#N)=C([O-])c1c(C)ccn1C	ZINC001342595367	923017661	/nfs/dbraw/zinc/01/76/61/923017661.db2.gz	KFDNFHPUZOJKIS-JTQLQIEISA-N	-1	0	263.297	0.419	20	30		CCEDRM
CNC(=O)C(C#N)=C([O-])c1cn2c(cccc2C)n1	ZINC001342608786	923022992	/nfs/dbraw/zinc/02/29/92/923022992.db2.gz	YIJKYNSFPWLCCY-VIFPVBQESA-N	-1	0	256.265	0.711	20	30		CCEDRM
N#CC(C(=O)NC1CC1)=C([O-])c1cnn2c1OCCC2	ZINC001342613026	923024608	/nfs/dbraw/zinc/02/46/08/923024608.db2.gz	YIUGGGIMJYZFQE-VIFPVBQESA-N	-1	0	274.280	0.267	20	30		CCEDRM
Cn1ccnc1C(=O)C(C#N)=C([O-])c1cnn(CCF)c1	ZINC001342690783	923053214	/nfs/dbraw/zinc/05/32/14/923053214.db2.gz	DNBCXRWTSQJFMS-SNVBAGLBSA-N	-1	0	289.270	0.791	20	30		CCEDRM
CO[C@H]1CCCN(NC(=O)c2[n-]c(=O)c(C#N)cc2C)C1	ZINC001419806251	923107417	/nfs/dbraw/zinc/10/74/17/923107417.db2.gz	LKUSUUJVTJOBQO-NSHDSACASA-N	-1	0	290.323	0.723	20	30		CCEDRM
N#CC(C(=O)NC1CC1)=C([O-])c1cc2n(n1)CCCC2	ZINC001343591719	923382325	/nfs/dbraw/zinc/38/23/25/923382325.db2.gz	XCJIGYCCZDZGMB-NSHDSACASA-N	-1	0	272.308	0.820	20	30		CCEDRM
C[S@](=O)c1ccc(C=Nn2c(=O)[n-][nH]c2=O)cc1	ZINC001343847315	923482571	/nfs/dbraw/zinc/48/25/71/923482571.db2.gz	XTXAHBPJUHNSIW-SFHVURJKSA-N	-1	0	266.282	0.309	20	30		CCEDRM
C=CCCOCC(=O)N1CC[C@@H]([C@@H](F)C(=O)[O-])C1	ZINC001344536755	923629749	/nfs/dbraw/zinc/62/97/49/923629749.db2.gz	RXQHURGOOMCYKX-MWLCHTKSSA-N	-1	0	259.277	0.850	20	30		CCEDRM
C=CCCCCCN(C)c1nnnn1CC(=O)[N-]OC	ZINC001344758389	923676825	/nfs/dbraw/zinc/67/68/25/923676825.db2.gz	WZFNMZXYSQWPFF-UHFFFAOYSA-N	-1	0	282.348	0.533	20	30		CCEDRM
CC(C)CO[N-]C(=O)C(=O)NCC1(CC#N)CC1	ZINC001347564604	924482247	/nfs/dbraw/zinc/48/22/47/924482247.db2.gz	FPEWFZYYSGPXEX-UHFFFAOYSA-N	-1	0	253.302	0.500	20	30		CCEDRM
C=C(C)CO[N-]C(=O)CN1CCCC2(CC2)S1(=O)=O	ZINC001347715760	924517019	/nfs/dbraw/zinc/51/70/19/924517019.db2.gz	DNYKQCWZJWTKRC-UHFFFAOYSA-N	-1	0	288.369	0.569	20	30		CCEDRM
CC1=C(C)CN(c2[n-]c(=O)n(C)c(=O)c2C#N)CC1	ZINC001348137053	924602046	/nfs/dbraw/zinc/60/20/46/924602046.db2.gz	FODSAMYZJBHABP-UHFFFAOYSA-N	-1	0	260.297	0.492	20	30		CCEDRM
C=CCCn1cc(CN[C@H](C(=O)[O-])[C@H]2CCCO2)nn1	ZINC001348503643	924708361	/nfs/dbraw/zinc/70/83/61/924708361.db2.gz	VWEMLGRYPLVHQN-NEPJUHHUSA-N	-1	0	280.328	0.576	20	30		CCEDRM
Cc1n[nH]c(C(=O)NCCCNC(=O)C#CC(C)C)c1[O-]	ZINC001349906433	925091322	/nfs/dbraw/zinc/09/13/22/925091322.db2.gz	XAWMKYSIUGJADO-UHFFFAOYSA-N	-1	0	292.339	0.319	20	30		CCEDRM
C=CCCC(C)(C)CNC(=O)C(=O)NC[C@@H](C)C(=O)[O-]	ZINC001349949785	925103604	/nfs/dbraw/zinc/10/36/04/925103604.db2.gz	FYOYJNLAFIEKTM-SNVBAGLBSA-N	-1	0	284.356	0.932	20	30		CCEDRM
C=CC[C@@H](NC(=O)[C@H]1CCn2cncc2C1)C(=O)[O-]	ZINC001350768388	925274469	/nfs/dbraw/zinc/27/44/69/925274469.db2.gz	LSBNMNVXWWUQNS-GXSJLCMTSA-N	-1	0	263.297	0.591	20	30		CCEDRM
C#CCN1CCC[C@H]1C(=O)N[C@H](CC(F)(F)F)C(=O)[O-]	ZINC001350768872	925274942	/nfs/dbraw/zinc/27/49/42/925274942.db2.gz	OEVKCWXXIYUKGM-BDAKNGLRSA-N	-1	0	292.257	0.606	20	30		CCEDRM
C=C(CC)CN1CCN([C@]2(C(=O)[O-])CCOC2)CC1	ZINC001351665920	925453157	/nfs/dbraw/zinc/45/31/57/925453157.db2.gz	ICURHOVFFLWGKX-CQSZACIVSA-N	-1	0	268.357	0.814	20	30		CCEDRM
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CC[C@@H](c2nnn[n-]2)C1	ZINC001352583948	925601907	/nfs/dbraw/zinc/60/19/07/925601907.db2.gz	GRTNQHMRPZGYQD-VWYCJHECSA-N	-1	0	277.328	0.497	20	30		CCEDRM
C#C[C@H]1CCCN(c2nnc(-c3cc(=O)[nH][n-]3)n2CC)C1	ZINC001352649842	925613005	/nfs/dbraw/zinc/61/30/05/925613005.db2.gz	XZWXDSZEUGNHMZ-JTQLQIEISA-N	-1	0	286.339	0.372	20	30		CCEDRM
CC(C)C[C@@H](CCO)CNc1[n-]c(=O)n(C)c(=O)c1C#N	ZINC001472706235	926128826	/nfs/dbraw/zinc/12/88/26/926128826.db2.gz	OMISAEMAIMOZEU-SNVBAGLBSA-N	-1	0	294.355	0.402	20	30		CCEDRM
C=CC(C)(C)NC(=O)Cn1[n-]cc2c(=O)ncnc1-2	ZINC001355060073	926204201	/nfs/dbraw/zinc/20/42/01/926204201.db2.gz	JKEBXDLPJOVHSK-UHFFFAOYSA-N	-1	0	261.285	0.152	20	30		CCEDRM
CNC(=O)C(C#N)=C([O-])c1ccnn1CC(F)(F)F	ZINC001356317625	926368552	/nfs/dbraw/zinc/36/85/52/926368552.db2.gz	PYHHXFLXAPBOOE-ZCFIWIBFSA-N	-1	0	274.202	0.514	20	30		CCEDRM
Cn1ccnc1C(C#N)=C([O-])c1cn(C2CC2)nn1	ZINC001356567592	926401357	/nfs/dbraw/zinc/40/13/57/926401357.db2.gz	QMUVYAADLCUKAD-SECBINFHSA-N	-1	0	256.269	0.837	20	30		CCEDRM
N#Cc1ccc(C(=O)N[C@@H]2CCCN(O)C2=O)c(F)c1	ZINC001358265650	926663963	/nfs/dbraw/zinc/66/39/63/926663963.db2.gz	UJJCXEHYKYSSCV-LLVKDONJSA-N	-1	0	277.255	0.807	20	30		CCEDRM
N#CCCN(Cc1cccnc1)C(=O)CCc1nnn[n-]1	ZINC001361851255	927387638	/nfs/dbraw/zinc/38/76/38/927387638.db2.gz	AHYBMJAVVSXHTP-UHFFFAOYSA-N	-1	0	285.311	0.470	20	30		CCEDRM
C[C@@H](NC(=O)c1n[nH]c(=O)[n-]c1=O)c1ccc(C#N)cc1	ZINC001362071885	927584285	/nfs/dbraw/zinc/58/42/85/927584285.db2.gz	GYRBYAYRTCSAFV-SSDOTTSWSA-N	-1	0	285.263	0.645	20	30		CCEDRM
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COc1cc(C(=O)NC2(c3nnn[n-]3)CCC2)ccc1C#N	ZINC001363275996	929060763	/nfs/dbraw/zinc/06/07/63/929060763.db2.gz	AFEFFOWEFNVDME-UHFFFAOYSA-N	-1	0	298.306	0.889	20	30		CCEDRM
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CN(Cc1nc(=O)o[n-]1)C(=O)c1ccccc1OCC#N	ZINC001363449597	929247205	/nfs/dbraw/zinc/24/72/05/929247205.db2.gz	IALPZUDLVHBJBK-UHFFFAOYSA-N	-1	0	288.263	0.537	20	30		CCEDRM
N#Cc1nc(NC(=O)C[C@@H]2CCCS2(=O)=O)[n-]c1C#N	ZINC001363648286	929450964	/nfs/dbraw/zinc/45/09/64/929450964.db2.gz	WRZCJQCOOUXWLD-ZETCQYMHSA-N	-1	0	293.308	0.059	20	30		CCEDRM
C[C@@H](NC(=O)[C@H](C)n1cnc(C#N)n1)c1nn(C)cc1[O-]	ZINC001363664277	929466448	/nfs/dbraw/zinc/46/64/48/929466448.db2.gz	JWUQMSUSFSJLAM-SFYZADRCSA-N	-1	0	289.299	0.027	20	30		CCEDRM
C[C@@H](Cc1cccnc1)Nc1[n-]c(=O)n(C)c(=O)c1C#N	ZINC001363751791	929545517	/nfs/dbraw/zinc/54/55/17/929545517.db2.gz	WDDWNTIGIUCLFZ-VIFPVBQESA-N	-1	0	285.307	0.383	20	30		CCEDRM
COC[C@@](C)(O)CNC(=O)c1[n-]c(=O)c(C#N)cc1C	ZINC001444742614	929945562	/nfs/dbraw/zinc/94/55/62/929945562.db2.gz	UBPXYKDTWSOCBC-ZDUSSCGKSA-N	-1	0	279.296	0.095	20	30		CCEDRM
O=C(N[C@H]1CCN(O)C1=O)c1cc([N+](=O)[O-])ccc1[O-]	ZINC001450154717	931239071	/nfs/dbraw/zinc/23/90/71/931239071.db2.gz	GNCSUTFPIRSEFB-QMMMGPOBSA-N	-1	0	281.224	0.020	20	30		CCEDRM
CS(=O)(=O)[C@@H]1CCCC(=NNCCC(=O)[O-])C1	ZINC001611074816	970881361	/nfs/dbraw/zinc/88/13/61/970881361.db2.gz	OFLNDQMOZRQHAR-SECBINFHSA-N	-1	0	262.331	0.394	20	30		CCEDRM
COc1ncccc1CCNC(=O)[C@](C)(C#N)CC(=O)[O-]	ZINC001611074848	970881393	/nfs/dbraw/zinc/88/13/93/970881393.db2.gz	RDQISUSJYRJFGH-AWEZNQCLSA-N	-1	0	291.307	0.753	20	30		CCEDRM
C#C[C@@H](NC(=O)N[C@H](C)CC(=O)[O-])C1CCOCC1	ZINC001602671410	971234315	/nfs/dbraw/zinc/23/43/15/971234315.db2.gz	COBUILKFDZDZOT-MWLCHTKSSA-N	-1	0	268.313	0.577	20	30		CCEDRM
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C#C[C@H](NC(=O)[C@]1(C(=O)[O-])C[C@H]1C)[C@@H]1CCCO1	ZINC001602673295	971238834	/nfs/dbraw/zinc/23/88/34/971238834.db2.gz	SQNSQDOKIMDLHA-QYTUQVAYSA-N	-1	0	251.282	0.394	20	30		CCEDRM
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C#CCN(CC(=O)[O-])[C@H](C(N)=O)c1ccc(F)cc1	ZINC001602695862	971313065	/nfs/dbraw/zinc/31/30/65/971313065.db2.gz	WBWWRLLHPCTHOI-LBPRGKRZSA-N	-1	0	264.256	0.372	20	30		CCEDRM
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C#CCO[C@@H](C)C(=O)N1CCC[C@@H](CC(=O)[O-])C1	ZINC001602701920	971328437	/nfs/dbraw/zinc/32/84/37/971328437.db2.gz	CQJMSEYVSBXIRY-QWRGUYRKSA-N	-1	0	253.298	0.738	20	30		CCEDRM
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C=C(C)[C@H]1OCC[C@H]1CNC(=O)C(=O)N(C)CCC(=O)[O-]	ZINC001602706906	971340458	/nfs/dbraw/zinc/34/04/58/971340458.db2.gz	GCGDXOOUPAWCJR-CMPLNLGQSA-N	-1	0	298.339	0.017	20	30		CCEDRM
C=C[C@@H](C)O[N-]C(=O)COc1ccc(-c2nn[nH]n2)cc1	ZINC001573317024	947291887	/nfs/dbraw/zinc/29/18/87/947291887.db2.gz	KTAWHQJLITVUOP-SECBINFHSA-N	-1	0	289.295	0.868	20	30		CCEDRM
C=C[C@](C)(O)CC(=O)N1C[C@H](C(=O)[O-])C[C@H](C)C1	ZINC001602717171	971363979	/nfs/dbraw/zinc/36/39/79/971363979.db2.gz	BZRVAOLYLPVGKH-CWSCBRNRSA-N	-1	0	255.314	0.883	20	30		CCEDRM
C=C[C@H](O)c1nnc(N2CC[C@H](C(=O)[O-])[C@@H](C)C2)n1C	ZINC001602717691	971370346	/nfs/dbraw/zinc/37/03/46/971370346.db2.gz	XZTJUSPBWAKPRJ-GUBZILKMSA-N	-1	0	280.328	0.582	20	30		CCEDRM
C=CC[C@H](OC(=O)C1(C(=O)[O-])CCC1)C(=O)OC	ZINC001602718189	971373214	/nfs/dbraw/zinc/37/32/14/971373214.db2.gz	GLCOMJBBARKSPK-QMMMGPOBSA-N	-1	0	256.254	0.902	20	30		CCEDRM
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C#CCN(CC(=O)[O-])CC(=O)N(C)Cc1cccs1	ZINC000092481944	949154049	/nfs/dbraw/zinc/15/40/49/949154049.db2.gz	AHUTZBRELHLQQY-UHFFFAOYSA-N	-1	0	280.349	0.726	20	30		CCEDRM
C#CCN(CC(=O)[O-])C(=O)NCCc1nc(C)cs1	ZINC000092491611	949162544	/nfs/dbraw/zinc/16/25/44/949162544.db2.gz	DMOCAIIOIMMTBZ-UHFFFAOYSA-N	-1	0	281.337	0.723	20	30		CCEDRM
CCN(C[C@@H](C)C#N)C(=O)CN([C@@H](C)C(=O)[O-])C1CC1	ZINC001589720606	950418763	/nfs/dbraw/zinc/41/87/63/950418763.db2.gz	SMPQOJDGBFBZJG-QWRGUYRKSA-N	-1	0	281.356	0.932	20	30		CCEDRM
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C#CCN(CC(=O)[O-])C(=O)NCc1oc(CC)nc1C	ZINC000381203103	951204333	/nfs/dbraw/zinc/20/43/33/951204333.db2.gz	TYFIRJJHGCKASQ-UHFFFAOYSA-N	-1	0	279.296	0.775	20	30		CCEDRM
CCn1c([C@@H]2C[C@@H]2C#N)nnc1N1CC[C@@H](C(=O)[O-])C1	ZINC001593661293	953806164	/nfs/dbraw/zinc/80/61/64/953806164.db2.gz	WASGXAUCLIFXFF-OPRDCNLKSA-N	-1	0	275.312	0.836	20	30		CCEDRM
CC(C)[C@H](C(=O)[O-])C(=O)OCC(=O)N[C@@](C)(C#N)C1CC1	ZINC001602970225	971968394	/nfs/dbraw/zinc/96/83/94/971968394.db2.gz	JWLOQVASENOLIE-RISCZKNCSA-N	-1	0	296.323	0.695	20	30		CCEDRM
CC[C@H](C(=O)[O-])N(C)C(=O)[C@H](C)n1cnc(C#N)n1	ZINC001589429379	954642057	/nfs/dbraw/zinc/64/20/57/954642057.db2.gz	FXDYKUVKGJFSHL-JGVFFNPUSA-N	-1	0	265.273	0.032	20	30		CCEDRM
CC[C@H](CNC(=O)Cc1ccc(C#N)nc1)C(=O)[O-]	ZINC001589526026	955115939	/nfs/dbraw/zinc/11/59/39/955115939.db2.gz	MNPHBFCDTFUTDW-SNVBAGLBSA-N	-1	0	261.281	0.723	20	30		CCEDRM
COC(=O)CCN(CC(=O)[O-])C(=O)c1ccc(C#N)cc1	ZINC001593838792	955331672	/nfs/dbraw/zinc/33/16/72/955331672.db2.gz	QEQLBPCHZWDVIB-UHFFFAOYSA-N	-1	0	290.275	0.648	20	30		CCEDRM
Cc1nonc1COC(=O)[C@@](C)(C#N)CC(=O)[O-]	ZINC001594503885	955349318	/nfs/dbraw/zinc/34/93/18/955349318.db2.gz	XOTRXGXRRAQVPT-SNVBAGLBSA-N	-1	0	253.214	0.426	20	30		CCEDRM
Cc1onc(CC(=O)N2CC[C@@H](C)[C@H](C(=O)[O-])C2)c1C#N	ZINC001594510220	955381052	/nfs/dbraw/zinc/38/10/52/955381052.db2.gz	JJXDKLFXRATDJV-LDYMZIIASA-N	-1	0	291.307	0.966	20	30		CCEDRM
C[C@@H](CN(C)C(=O)C(=O)Nc1cccc(C#N)n1)C(=O)[O-]	ZINC001589021810	955477968	/nfs/dbraw/zinc/47/79/68/955477968.db2.gz	FYQSJIFEZPGRRC-QMMMGPOBSA-N	-1	0	290.279	0.071	20	30		CCEDRM
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CO[C@](C)(C(=O)[O-])C(=O)OCC#Cc1ccccn1	ZINC001593929915	956162453	/nfs/dbraw/zinc/16/24/53/956162453.db2.gz	GCWAFQWIWGINSH-CYBMUJFWSA-N	-1	0	263.249	0.466	20	30		CCEDRM
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COCC#CC(=O)N1C[C@@H](C(=O)[O-])[C@H](C2CC2)C1	ZINC001593951689	956395306	/nfs/dbraw/zinc/39/53/06/956395306.db2.gz	RJGAMNMVWLECBF-WDEREUQCSA-N	-1	0	251.282	0.205	20	30		CCEDRM
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COC[C@H](C#N)OC(=O)c1cccc(OCC(=O)[O-])c1	ZINC001593952549	956407577	/nfs/dbraw/zinc/40/75/77/956407577.db2.gz	XXPZBJMCKVDVAF-NSHDSACASA-N	-1	0	279.248	0.845	20	30		CCEDRM
CC1(C#N)CCN(C(=O)C(=O)NCCCCC(=O)[O-])CC1	ZINC001589181881	956530277	/nfs/dbraw/zinc/53/02/77/956530277.db2.gz	UBNSLTLIZUTJSB-UHFFFAOYSA-N	-1	0	295.339	0.510	20	30		CCEDRM
CC1(C)CCCN([C@H]2CCN(CC(=O)[O-])C2=O)[C@H]1C#N	ZINC001589226048	956795943	/nfs/dbraw/zinc/79/59/43/956795943.db2.gz	VPPMWAXZEQVAOH-QWRGUYRKSA-N	-1	0	279.340	0.686	20	30		CCEDRM
COCC1(CNC(=O)[C@@](C)(C#N)CC(=O)[O-])CC1	ZINC001593986948	956800123	/nfs/dbraw/zinc/80/01/23/956800123.db2.gz	WCXCTVROTGTQHI-LLVKDONJSA-N	-1	0	254.286	0.534	20	30		CCEDRM
COCCN(CC(=O)[O-])C(=O)c1cnn(CCC#N)c1C	ZINC001593998806	956913488	/nfs/dbraw/zinc/91/34/88/956913488.db2.gz	QIARJRYSNFCWLL-UHFFFAOYSA-N	-1	0	294.311	0.278	20	30		CCEDRM
CC[C@@H](CC#N)NS(=O)(=O)c1c[nH]c(C(=O)[O-])c1	ZINC000054176798	957522751	/nfs/dbraw/zinc/52/27/51/957522751.db2.gz	IGMQFSAOUXOTKL-ZETCQYMHSA-N	-1	0	271.298	0.683	20	30		CCEDRM
C[C@H](C#N)CN(C)CC(=O)N1CCC(C(=O)[O-])CC1	ZINC000054262884	957526570	/nfs/dbraw/zinc/52/65/70/957526570.db2.gz	GDWMDVZEORIPPW-SNVBAGLBSA-N	-1	0	267.329	0.401	20	30		CCEDRM
C#CC1(O)CN(C(=O)c2coc(/C=C\C(=O)[O-])c2)C1	ZINC001588385453	957970965	/nfs/dbraw/zinc/97/09/65/957970965.db2.gz	FZWHAERKNQVSOJ-ARJAWSKDSA-N	-1	0	261.233	0.198	20	30		CCEDRM
C#C[C@@H](CC)NC(=O)C(=O)Nc1ccc(C(=O)[O-])cc1F	ZINC001588386509	957979284	/nfs/dbraw/zinc/97/92/84/957979284.db2.gz	BIKIFSQCCKEELK-VIFPVBQESA-N	-1	0	292.266	0.990	20	30		CCEDRM
C#C[C@H](NC(=O)[C@]1(C(=O)[O-])CC1(C)C)[C@@H]1CCCO1	ZINC001588387390	957987911	/nfs/dbraw/zinc/98/79/11/957987911.db2.gz	IUIUHJQEDWHCAY-BHDSKKPTSA-N	-1	0	265.309	0.784	20	30		CCEDRM
C#CC[C@@H](CO)NC(=O)NCc1ccc(C(=O)[O-])cc1	ZINC001588388793	957999895	/nfs/dbraw/zinc/99/98/95/957999895.db2.gz	GLCRHKYPBZHFAK-LBPRGKRZSA-N	-1	0	276.292	0.568	20	30		CCEDRM
C#CC[C@@H](CO)NC(=O)c1coc(/C=C/C(=O)[O-])c1	ZINC001588389020	958002266	/nfs/dbraw/zinc/00/22/66/958002266.db2.gz	KDOBOVMSUSKELN-YEZKRMTDSA-N	-1	0	263.249	0.491	20	30		CCEDRM
C#CC[C@@H](CCOC)NC(=O)Nc1ccn(CC(=O)[O-])n1	ZINC001588389125	958004579	/nfs/dbraw/zinc/00/45/79/958004579.db2.gz	NNPSYTMNPRRMBU-JTQLQIEISA-N	-1	0	294.311	0.518	20	30		CCEDRM
C#CCCN(CC(F)(F)F)C(=O)[C@H]1CC(C(=O)[O-])=NO1	ZINC001588390664	958012374	/nfs/dbraw/zinc/01/23/74/958012374.db2.gz	AQLLXMVYHGGWTE-MRVPVSSYSA-N	-1	0	292.213	0.630	20	30		CCEDRM
C#CCC[C@H](O)CNC(=O)[C@H]1CO[C@@H](CCC(=O)[O-])C1	ZINC001588391392	958021833	/nfs/dbraw/zinc/02/18/33/958021833.db2.gz	GXJQVYJIFCROJN-WOPDTQHZSA-N	-1	0	283.324	0.147	20	30		CCEDRM
C#CCC1(O)CCN(C(=O)NC[C@@H](C)C(=O)[O-])CC1	ZINC001588391883	958028094	/nfs/dbraw/zinc/02/80/94/958028094.db2.gz	QNSJUBIGORAYKW-SNVBAGLBSA-N	-1	0	268.313	0.267	20	30		CCEDRM
C#CCC1(NC(=O)c2cnc(C(=O)[O-])cn2)CCOCC1	ZINC001588391870	958028589	/nfs/dbraw/zinc/02/85/89/958028589.db2.gz	PYKWUFFZGPKRSU-UHFFFAOYSA-N	-1	0	289.291	0.477	20	30		CCEDRM
C#CCN(CC(=O)[O-])C(=O)[C@H]1CCCN1C(=O)C(C)C	ZINC001588400267	958079532	/nfs/dbraw/zinc/07/95/32/958079532.db2.gz	UHEUHRIARVZSOZ-LLVKDONJSA-N	-1	0	280.324	0.180	20	30		CCEDRM
C#CCN(CC(=O)[O-])C(=O)/C=C(\C)c1cnccn1	ZINC001588400351	958080838	/nfs/dbraw/zinc/08/08/38/958080838.db2.gz	VVRZRXRFXBCFEQ-JXMROGBWSA-N	-1	0	259.265	0.426	20	30		CCEDRM
C[C@H](Oc1ccccc1C#N)C(=O)NC[C@](C)(O)C(=O)[O-]	ZINC000090275367	958107371	/nfs/dbraw/zinc/10/73/71/958107371.db2.gz	IVMPGUSZFDJZJG-XPTSAGLGSA-N	-1	0	292.291	0.277	20	30		CCEDRM
COc1cc(NC(=O)[C@H](OC)C(=O)[O-])c(F)cc1C#N	ZINC001594062804	958110136	/nfs/dbraw/zinc/11/01/36/958110136.db2.gz	GELXDMWITLPXNE-JTQLQIEISA-N	-1	0	282.227	0.744	20	30		CCEDRM
C#CCN(CC(=O)[O-])C(=O)NCCCOCC(F)(F)F	ZINC001588408687	958115132	/nfs/dbraw/zinc/11/51/32/958115132.db2.gz	ZBKQCKFDOGBKJD-UHFFFAOYSA-N	-1	0	296.245	0.685	20	30		CCEDRM
C#CCN(CC(=O)[O-])C(=O)c1cc(CC)nnc1C	ZINC001588416629	958164300	/nfs/dbraw/zinc/16/43/00/958164300.db2.gz	QVRGUVFVOQIZMC-UHFFFAOYSA-N	-1	0	261.281	0.507	20	30		CCEDRM
C#CCN(CC(=O)[O-])C(=O)[C@@H]1OC[C@@H]2CCC[C@@H]21	ZINC001588417433	958172614	/nfs/dbraw/zinc/17/26/14/958172614.db2.gz	OFYMGVXMTCGAKW-JBLDHEPKSA-N	-1	0	251.282	0.348	20	30		CCEDRM
C#CCN(CC(=O)[O-])C(=O)c1cn(CCC(C)C)nn1	ZINC001588418350	958177128	/nfs/dbraw/zinc/17/71/28/958177128.db2.gz	BSEDUQPDRYWUAP-UHFFFAOYSA-N	-1	0	278.312	0.484	20	30		CCEDRM
C#CCN(CC(=O)[O-])C(=O)c1cnn2c1C[C@H](C)CC2	ZINC001588418919	958188104	/nfs/dbraw/zinc/18/81/04/958188104.db2.gz	WFZPTQOJOXUBGI-SNVBAGLBSA-N	-1	0	275.308	0.625	20	30		CCEDRM
C#CCN(CC(=O)[O-])C[C@H]1CCCC[C@@H]1C(=O)OC	ZINC001588423984	958210187	/nfs/dbraw/zinc/21/01/87/958210187.db2.gz	IOCGTELIFFHKSY-NEPJUHHUSA-N	-1	0	267.325	0.986	20	30		CCEDRM
C#CCN(CC(=O)[O-])C[C@@H](O)CCC1(O)CCC1	ZINC001588424158	958213292	/nfs/dbraw/zinc/21/32/92/958213292.db2.gz	KKWMBPZXEIJXSS-NSHDSACASA-N	-1	0	255.314	0.062	20	30		CCEDRM
C#CCN(CC(=O)[O-])S(=O)(=O)C[C@@H]1CCC1(F)F	ZINC001588425491	958226338	/nfs/dbraw/zinc/22/63/38/958226338.db2.gz	VJPUSTTUAUUIDT-QMMMGPOBSA-N	-1	0	281.280	0.381	20	30		CCEDRM
C#CCN(CC(=O)[O-])c1nnc(-c2cnc(N)s2)n1C	ZINC001588426645	958230299	/nfs/dbraw/zinc/23/02/99/958230299.db2.gz	UPKIZWSIVKXLHP-UHFFFAOYSA-N	-1	0	292.324	0.045	20	30		CCEDRM
C#CCN(CC(=O)[O-])c1nnc([C@H](CC)OCC)n1C	ZINC001588427156	958241399	/nfs/dbraw/zinc/24/13/99/958241399.db2.gz	OQKDAFDASSGUSH-JTQLQIEISA-N	-1	0	280.328	0.827	20	30		CCEDRM
C#CCN(CC(=O)[O-])c1nnc(CCc2ccco2)n1C	ZINC001588427210	958241559	/nfs/dbraw/zinc/24/15/59/958241559.db2.gz	QJDLTQDLXXHVIA-UHFFFAOYSA-N	-1	0	288.307	0.718	20	30		CCEDRM
C#CCN(CC(=O)[O-])c1nnc(C[C@@H](C)O)n1CC(=C)C	ZINC001588427268	958243120	/nfs/dbraw/zinc/24/31/20/958243120.db2.gz	RUWDKCXHZRHMKR-LLVKDONJSA-N	-1	0	292.339	0.302	20	30		CCEDRM
C#CCN(CC(=O)[O-])c1nnc([C@@H]2CCC[C@@H](O)C2)n1C	ZINC001588427295	958243502	/nfs/dbraw/zinc/24/35/02/958243502.db2.gz	SIRGPRHDZDUWLM-GHMZBOCLSA-N	-1	0	292.339	0.358	20	30		CCEDRM
C#CCN(CC(=O)[O-])c1nnc(CC2CC2)n1CC	ZINC001588427372	958244810	/nfs/dbraw/zinc/24/48/10/958244810.db2.gz	VLEDGIKYONLACI-UHFFFAOYSA-N	-1	0	262.313	0.775	20	30		CCEDRM
C#CCOCCC(=O)N1CC[C@@H](C(=O)[O-])[C@H](C)C1	ZINC001588430553	958258261	/nfs/dbraw/zinc/25/82/61/958258261.db2.gz	CQTSEJGPDLLTCW-GHMZBOCLSA-N	-1	0	253.298	0.596	20	30		CCEDRM
C#CCNC(=O)COC(=O)[C@@H](C(=O)[O-])C1CCCC1	ZINC001588431345	958268490	/nfs/dbraw/zinc/26/84/90/958268490.db2.gz	WOSZVXDRYLGRGZ-LLVKDONJSA-N	-1	0	267.281	0.170	20	30		CCEDRM
C=C(C)C[C@@H](NC(=O)[C@@H]1CC[C@@H]1C(=O)[O-])C(=O)OC	ZINC001588440957	958331247	/nfs/dbraw/zinc/33/12/47/958331247.db2.gz	AAFGBJJIRWQAHA-KXUCPTDWSA-N	-1	0	269.297	0.721	20	30		CCEDRM
C=CC[C@H](NC(=O)c1cnc(C(=O)[O-])cn1)C(=O)OCC	ZINC001588458175	958460641	/nfs/dbraw/zinc/46/06/41/958460641.db2.gz	RISXPDNQELCWMH-QMMMGPOBSA-N	-1	0	293.279	0.412	20	30		CCEDRM
C=CCCN(C)C(=O)C(=O)N(C)C[C@@H](C)C(=O)[O-]	ZINC001588459747	958468979	/nfs/dbraw/zinc/46/89/79/958468979.db2.gz	BFSYGKVVPVRMHQ-SECBINFHSA-N	-1	0	256.302	0.200	20	30		CCEDRM
C=CCCN(C)C(=O)[C@H]1CCCN(CC(=O)[O-])C1=O	ZINC001588459859	958469668	/nfs/dbraw/zinc/46/96/68/958469668.db2.gz	IMWNRHAPCDYIFP-SNVBAGLBSA-N	-1	0	268.313	0.344	20	30		CCEDRM
C=CCn1c([C@@H](O)C=C)nnc1N1CCC[C@@H](C(=O)[O-])C1	ZINC001588470050	958521198	/nfs/dbraw/zinc/52/11/98/958521198.db2.gz	AETUKEDFCHCUND-MNOVXSKESA-N	-1	0	292.339	0.985	20	30		CCEDRM
C=CCn1c(N2CC[C@H](C(=O)[O-])C2)nnc1C1(O)CC1	ZINC001588471869	958536978	/nfs/dbraw/zinc/53/69/78/958536978.db2.gz	FNEFLQDAMRHITL-VIFPVBQESA-N	-1	0	278.312	0.356	20	30		CCEDRM
C=CCn1c(COC)nnc1N1CCC[C@H](C(=O)[O-])C1	ZINC001588472144	958540728	/nfs/dbraw/zinc/54/07/28/958540728.db2.gz	KENHYRDCDVYLBH-JTQLQIEISA-N	-1	0	280.328	0.912	20	30		CCEDRM
CC#CC[C@@H](CO)NC(=O)C1(C(=O)[O-])CC=CC1	ZINC001588478534	958568576	/nfs/dbraw/zinc/56/85/76/958568576.db2.gz	FQECELYGWZTVKA-JTQLQIEISA-N	-1	0	251.282	0.298	20	30		CCEDRM
C=C[C@@H]1OCC[C@H]1C(=O)Nc1cc(C(=O)[O-])n[nH]1	ZINC001588478846	958573538	/nfs/dbraw/zinc/57/35/38/958573538.db2.gz	YEFSAYCDKNHOQY-SVRRBLITSA-N	-1	0	251.242	0.638	20	30		CCEDRM
C[C@](C#N)(CC(=O)[O-])C(=O)Nc1n[nH]c2c1COCC2	ZINC001573364871	958617277	/nfs/dbraw/zinc/61/72/77/958617277.db2.gz	RIAIFFFVGQCNPS-GFCCVEGCSA-N	-1	0	278.268	0.425	20	30		CCEDRM
C[C@](C#N)(CC(=O)[O-])C(=O)N[C@@H]1CCn2ccnc21	ZINC001573365119	958619280	/nfs/dbraw/zinc/61/92/80/958619280.db2.gz	SCHJEGDMURRPIC-PRHODGIISA-N	-1	0	262.269	0.449	20	30		CCEDRM
C[C@](C#N)(CC(=O)[O-])C(=O)N1CC[C@H]2NC(=O)CC[C@H]2C1	ZINC001588535494	958930527	/nfs/dbraw/zinc/93/05/27/958930527.db2.gz	OPXTXHVNZNFMBB-IMSIIYSGSA-N	-1	0	293.323	0.118	20	30		CCEDRM
C[C@@](C#N)(CC(=O)[O-])C(=O)N1C[C@@H]2[C@H](O)CC[C@@H]2C1	ZINC001588538882	958945452	/nfs/dbraw/zinc/94/54/52/958945452.db2.gz	PRJPTXPEHGCGHE-COMAGPEQSA-N	-1	0	266.297	0.220	20	30		CCEDRM
C[C@@](C#N)(CC(=O)[O-])C(=O)NC[C@@H](O)C1CCC1	ZINC001588539138	958951868	/nfs/dbraw/zinc/95/18/68/958951868.db2.gz	ZOUMKNMWZKIJRH-SKDRFNHKSA-N	-1	0	254.286	0.268	20	30		CCEDRM
C[C@@](C#N)(NC(=O)COC(=O)[C@@H](C(=O)[O-])C1CC1)C1CC1	ZINC001588542712	958972013	/nfs/dbraw/zinc/97/20/13/958972013.db2.gz	CEXQPRUJLVQHMP-RISCZKNCSA-N	-1	0	294.307	0.449	20	30		CCEDRM
C[C@H](C#N)N(C(=O)[C@H]1CCCN(CC(=O)[O-])C1=O)C1CC1	ZINC001588543843	958983817	/nfs/dbraw/zinc/98/38/17/958983817.db2.gz	UGQNFOSZFROCDO-KOLCDFICSA-N	-1	0	293.323	0.213	20	30		CCEDRM
C#CC[C@@H](NC(=O)Cc1ccc([N+](=O)[O-])cc1)C(=O)[O-]	ZINC000149612267	959019380	/nfs/dbraw/zinc/01/93/80/959019380.db2.gz	CUHCGXRJWNCLJH-LLVKDONJSA-N	-1	0	276.248	0.730	20	30		CCEDRM
C#CC[C@@H](NC(=O)COc1ccccc1C#N)C(=O)[O-]	ZINC000149858587	959029375	/nfs/dbraw/zinc/02/93/75/959029375.db2.gz	XYRFVAQSDGEGNW-LLVKDONJSA-N	-1	0	272.260	0.530	20	30		CCEDRM
Cc1ccn(CN2CCC(C(=O)[O-])CC2)c(=O)c1C#N	ZINC001594421612	959080178	/nfs/dbraw/zinc/08/01/78/959080178.db2.gz	PBJXPFHTHVPMLS-UHFFFAOYSA-N	-1	0	275.308	0.783	20	30		CCEDRM
CC(C)COC[C@@H](O)CNC(=O)[C@](C)(C#N)CC(=O)[O-]	ZINC001573522795	959132003	/nfs/dbraw/zinc/13/20/03/959132003.db2.gz	PVCSCWUYWMKGHW-GWCFXTLKSA-N	-1	0	286.328	0.141	20	30		CCEDRM
C#CC[C@@H](NS(=O)(=O)c1ccccc1C#N)C(=O)[O-]	ZINC000161249646	959178505	/nfs/dbraw/zinc/17/85/05/959178505.db2.gz	PRCVHIDFFZCJSO-SNVBAGLBSA-N	-1	0	278.289	0.313	20	30		CCEDRM
C[C@H](C(=O)[O-])C(=O)OCC(=O)N[C@@](C)(C#N)C1CC1	ZINC001588579861	959242645	/nfs/dbraw/zinc/24/26/45/959242645.db2.gz	FSMNUMMTLOHBNN-KRTXAFLBSA-N	-1	0	268.269	0.059	20	30		CCEDRM
C[C@@H](NC(=O)c1cc(C#N)cc(N(C)C)c1)C(=O)[O-]	ZINC001594206521	959273213	/nfs/dbraw/zinc/27/32/13/959273213.db2.gz	GXEJZVOLOVLKHA-MRVPVSSYSA-N	-1	0	261.281	0.827	20	30		CCEDRM
CC(C)(C#N)CC(=O)O[C@H]1CCN(CC(=O)[O-])C1=O	ZINC001588606508	959479238	/nfs/dbraw/zinc/47/92/38/959479238.db2.gz	HLINVPUNWUWEHB-QMMMGPOBSA-N	-1	0	268.269	0.155	20	30		CCEDRM
CC(C)(C#N)CCOC(=O)[C@H]1CCCN(CC(=O)[O-])C1=O	ZINC001588607829	959497552	/nfs/dbraw/zinc/49/75/52/959497552.db2.gz	UIQODTFNJAUQGH-JTQLQIEISA-N	-1	0	296.323	0.793	20	30		CCEDRM
C[C@@](O)(CNC(=O)c1ccc2c(C#N)c[nH]c2c1)C(=O)[O-]	ZINC001573635016	959586932	/nfs/dbraw/zinc/58/69/32/959586932.db2.gz	YREIDRYOCFHDQD-CQSZACIVSA-N	-1	0	287.275	0.605	20	30		CCEDRM
C[C@](O)(CNC(=O)Nc1ccc(OCC#N)cc1)C(=O)[O-]	ZINC001603256609	972441802	/nfs/dbraw/zinc/44/18/02/972441802.db2.gz	ABRRBCDYZSGHCT-ZDUSSCGKSA-N	-1	0	293.279	0.546	20	30		CCEDRM
Cc1csc(C(=O)[O-])c1S(=O)(=O)NCC#N	ZINC000226471142	959882301	/nfs/dbraw/zinc/88/23/01/959882301.db2.gz	RVWYUKZDGFDLLS-UHFFFAOYSA-N	-1	0	260.296	0.557	20	30		CCEDRM
Cn1cc(C(=O)[O-])c(NC(=O)Cc2ccc(C#N)nc2)n1	ZINC001571026550	960441538	/nfs/dbraw/zinc/44/15/38/960441538.db2.gz	LEAWTJGKAADUFD-UHFFFAOYSA-N	-1	0	285.263	0.566	20	30		CCEDRM
C[C@@H]1CCN(c2cnc(C#N)c(C#N)n2)C[C@@H]1C(=O)[O-]	ZINC001573737368	960454561	/nfs/dbraw/zinc/45/45/61/960454561.db2.gz	QAEYTBCPEQRXJO-BDAKNGLRSA-N	-1	0	271.280	0.767	20	30		CCEDRM
N#Cc1c[nH]nc1NC(=O)c1ccc(C(=O)[O-])cn1	ZINC001574248959	960501175	/nfs/dbraw/zinc/50/11/75/960501175.db2.gz	OUHVECUYIAXSLO-UHFFFAOYSA-N	-1	0	257.209	0.627	20	30		CCEDRM
N#Cc1ncccc1S(=O)(=O)N1CC[C@@H](C(=O)[O-])C1	ZINC000236434505	960594296	/nfs/dbraw/zinc/59/42/96/960594296.db2.gz	OWSPFDZKJCMGGM-MRVPVSSYSA-N	-1	0	281.293	0.048	20	30		CCEDRM
Cc1onc(CO)c1C(=O)N1CCC(C#N)(C(=O)[O-])CC1	ZINC001571047095	960643293	/nfs/dbraw/zinc/64/32/93/960643293.db2.gz	YGTMIHIOABHTCQ-UHFFFAOYSA-N	-1	0	293.279	0.306	20	30		CCEDRM
CC[C@H](CNC(=O)Cc1noc(C)c1C#N)C(=O)[O-]	ZINC001573796277	960779110	/nfs/dbraw/zinc/77/91/10/960779110.db2.gz	UMZHYVLBLSKMPQ-MRVPVSSYSA-N	-1	0	265.269	0.624	20	30		CCEDRM
CC(C)(CC#N)CNC(=O)C1(C(=O)[O-])CCOCC1	ZINC001588754760	961215288	/nfs/dbraw/zinc/21/52/88/961215288.db2.gz	JLPGIBDMBDMRFL-UHFFFAOYSA-N	-1	0	268.313	0.924	20	30		CCEDRM
CC(C)(CC#N)CS(=O)(=O)N[C@H]1C[C@@H](C(=O)[O-])C1	ZINC001588754956	961218729	/nfs/dbraw/zinc/21/87/29/961218729.db2.gz	SDCUQMOUTMVRAM-DTORHVGOSA-N	-1	0	274.342	0.709	20	30		CCEDRM
Cc1nc([C@H]2CCN(C(=O)[C@@](C)(C#N)CC(=O)[O-])C2)no1	ZINC001574417959	961336215	/nfs/dbraw/zinc/33/62/15/961336215.db2.gz	ZIRNQMXZXRHHDY-TVQRCGJNSA-N	-1	0	292.295	0.699	20	30		CCEDRM
CC(C)[C@H](C(=O)[O-])C(=O)NC1CCN(CC#N)CC1	ZINC001588803634	961453285	/nfs/dbraw/zinc/45/32/85/961453285.db2.gz	HTEFHBFBWDFZDI-NSHDSACASA-N	-1	0	267.329	0.447	20	30		CCEDRM
Cn1cc(C#N)c(NC(=O)[C@H]2CO[C@H](CCC(=O)[O-])C2)n1	ZINC001574449079	961462796	/nfs/dbraw/zinc/46/27/96/961462796.db2.gz	HLPZFQNKCHCBIG-PSASIEDQSA-N	-1	0	292.295	0.500	20	30		CCEDRM
N#Cc1ccc(NCC(=O)N[C@H]2C[C@@H](C(=O)[O-])C2)nc1	ZINC001574488240	961693494	/nfs/dbraw/zinc/69/34/94/961693494.db2.gz	OOCPYFGBLFZMLK-AOOOYVTPSA-N	-1	0	274.280	0.345	20	30		CCEDRM
N#Cc1ccc2c(c1)N(C(=O)[C@@H]1CC(C(=O)[O-])=NO1)CC2	ZINC001574490075	961710803	/nfs/dbraw/zinc/71/08/03/961710803.db2.gz	UQINCPAOTQGNNF-LBPRGKRZSA-N	-1	0	285.259	0.677	20	30		CCEDRM
N#Cc1c[nH]nc1NC(=O)[C@@H]1CO[C@@H](CCC(=O)[O-])C1	ZINC001574493438	961718808	/nfs/dbraw/zinc/71/88/08/961718808.db2.gz	MCAATFUDNWMEEQ-CBAPKCEASA-N	-1	0	278.268	0.490	20	30		CCEDRM
C#CC[C@H](NC(=O)CCc1nc(CSC)no1)C(=O)[O-]	ZINC001573301684	962634012	/nfs/dbraw/zinc/63/40/12/962634012.db2.gz	CQIBVOSBJBSYBL-QMMMGPOBSA-N	-1	0	297.336	0.458	20	30		CCEDRM
C#CCCN(CCOC)C(=O)[C@H]1CC[C@@H](CCC(=O)[O-])O1	ZINC001573302485	962653269	/nfs/dbraw/zinc/65/32/69/962653269.db2.gz	WWNRFBLMUZOQBZ-QWHCGFSZSA-N	-1	0	297.351	0.897	20	30		CCEDRM
C#CC[C@H](NC(=O)C[C@H]1CCOC[C@H]1OC)C(=O)[O-]	ZINC001573303566	962678325	/nfs/dbraw/zinc/67/83/25/962678325.db2.gz	ZXOFZYIFLPNYPM-OUAUKWLOSA-N	-1	0	269.297	0.021	20	30		CCEDRM
C#Cc1ccc(C(=O)N2C[C@H](C)O[C@H](C(=O)[O-])C2)cn1	ZINC001573312254	962719164	/nfs/dbraw/zinc/71/91/64/962719164.db2.gz	PPLXHIGEEFWYEU-CABZTGNLSA-N	-1	0	274.276	0.377	20	30		CCEDRM
C[C@H](CC#N)NC(=O)C(=O)Nc1ccccc1C(=O)[O-]	ZINC001588987690	962763874	/nfs/dbraw/zinc/76/38/74/962763874.db2.gz	BBRLAKLMIVJFAI-MRVPVSSYSA-N	-1	0	275.264	0.742	20	30		CCEDRM
C[C@H](CC#N)N(C)C(=O)c1cccn(CC(=O)[O-])c1=O	ZINC001588987786	962765096	/nfs/dbraw/zinc/76/50/96/962765096.db2.gz	GFTFXYFTUHWHJD-SECBINFHSA-N	-1	0	277.280	0.307	20	30		CCEDRM
C=C(C)C[C@H](NS(=O)(=O)Cc1noc(C)n1)C(=O)[O-]	ZINC001573324378	962783986	/nfs/dbraw/zinc/78/39/86/962783986.db2.gz	RDQGETSIBKRNNW-QMMMGPOBSA-N	-1	0	289.313	0.217	20	30		CCEDRM
C=C(C)C[C@@H](Nc1nccc(C(N)=O)c1[N+](=O)[O-])C(=O)[O-]	ZINC001573324603	962786556	/nfs/dbraw/zinc/78/65/56/962786556.db2.gz	VRAXHDBIODUWPP-MRVPVSSYSA-N	-1	0	294.267	0.920	20	30		CCEDRM
C=C(CCC(=O)[O-])C(=O)N[C@@H]1CCn2ccnc2C1	ZINC001573332107	962824027	/nfs/dbraw/zinc/82/40/27/962824027.db2.gz	DLNMZHTUKVETEV-SNVBAGLBSA-N	-1	0	263.297	0.735	20	30		CCEDRM
C=C(CCC(=O)[O-])C(=O)N1CC[C@](C)(C(=O)NC)C1	ZINC001573332154	962826694	/nfs/dbraw/zinc/82/66/94/962826694.db2.gz	JLWVDXFIVCJJFB-ZDUSSCGKSA-N	-1	0	268.313	0.392	20	30		CCEDRM
C=C(Cl)CN(C)CCNC(=O)[C@H]1C[C@@H]1C(=O)[O-]	ZINC001573338610	962877559	/nfs/dbraw/zinc/87/75/59/962877559.db2.gz	FDQMNRNJHNAXEV-IUCAKERBSA-N	-1	0	260.721	0.508	20	30		CCEDRM
C=C(Cl)CN1CCC(CNC(=O)CNC(=O)[O-])CC1	ZINC001573338787	962881981	/nfs/dbraw/zinc/88/19/81/962881981.db2.gz	IYCBVIXMWXKVJL-UHFFFAOYSA-N	-1	0	289.763	0.835	20	30		CCEDRM
C=CC(C)(C)CC(=O)N[C@H](CC)CNC(=O)CNC(=O)[O-]	ZINC001573347565	962949367	/nfs/dbraw/zinc/94/93/67/962949367.db2.gz	LWWSDLVPCFNOCS-SNVBAGLBSA-N	-1	0	299.371	0.867	20	30		CCEDRM
C=C[C@H](O)C(=O)Nc1ccc2[nH]nc(C(=O)[O-])c2c1	ZINC001573348128	962955926	/nfs/dbraw/zinc/95/59/26/962955926.db2.gz	SQZKZHVWCSNRTB-VIFPVBQESA-N	-1	0	261.237	0.747	20	30		CCEDRM
C=CCC1(O)CN(C(=O)CC[C@@H]2C[C@H](C(=O)[O-])CO2)C1	ZINC001573352317	962984713	/nfs/dbraw/zinc/98/47/13/962984713.db2.gz	AHJGMDNYZKJDAC-WDEREUQCSA-N	-1	0	283.324	0.406	20	30		CCEDRM
C=CCCC(=O)N(C)[C@H](CNC(=O)CNC(=O)[O-])C1CC1	ZINC001573352393	962984792	/nfs/dbraw/zinc/98/47/92/962984792.db2.gz	BGNSYQIBQMTMAP-LLVKDONJSA-N	-1	0	297.355	0.573	20	30		CCEDRM
C=CCCC(=O)N1C[C@H]2CC[C@@H](C1)N2C(=O)CNC(=O)[O-]	ZINC001573352752	962991212	/nfs/dbraw/zinc/99/12/12/962991212.db2.gz	JFOJSBBMRZFBSC-PHIMTYICSA-N	-1	0	295.339	0.422	20	30		CCEDRM
C=CCCCC(=O)N(C)[C@H](C)CNC(=O)CNC(=O)[O-]	ZINC001573356744	963011040	/nfs/dbraw/zinc/01/10/40/963011040.db2.gz	GMIHDIMAUCJKBI-SNVBAGLBSA-N	-1	0	285.344	0.573	20	30		CCEDRM
C=CCCCC(=O)N1CCC[C@H]1CNC(=O)CNC(=O)[O-]	ZINC001573357986	963022823	/nfs/dbraw/zinc/02/28/23/963022823.db2.gz	VIQAIJQAUBLJAH-NSHDSACASA-N	-1	0	297.355	0.718	20	30		CCEDRM
N#CC1(C(=O)[O-])CCN(Cc2cccnc2N)CC1	ZINC001570977085	963061692	/nfs/dbraw/zinc/06/16/92/963061692.db2.gz	SMHFPGQRWHLSEG-UHFFFAOYSA-N	-1	0	260.297	0.854	20	30		CCEDRM
C=CCN1CC[C@H](N(C)C(=O)[C@H]2CC[C@@H](C(=O)[O-])C2)C1=O	ZINC001573368694	963084166	/nfs/dbraw/zinc/08/41/66/963084166.db2.gz	PEOXHEZLIQBUAC-TUAOUCFPSA-N	-1	0	294.351	0.733	20	30		CCEDRM
C=CCOC[C@@H](NC(=O)[C@H]1CC[C@@H](C(=O)[O-])C1)C(=O)OC	ZINC001573369584	963100171	/nfs/dbraw/zinc/10/01/71/963100171.db2.gz	WHTZXUVQSVAZQR-HBNTYKKESA-N	-1	0	299.323	0.348	20	30		CCEDRM
N#Cc1cccc(NC(=O)Cn2cc(C(=O)[O-])cn2)n1	ZINC001570996897	963189158	/nfs/dbraw/zinc/18/91/58/963189158.db2.gz	RXGZUOWQLRASHY-UHFFFAOYSA-N	-1	0	271.236	0.487	20	30		CCEDRM
N#CC[C@H](C(=O)NC[C@@H](O)CC(=O)[O-])c1ccccc1	ZINC001571005765	963243318	/nfs/dbraw/zinc/24/33/18/963243318.db2.gz	ZDABSIYVGBTNGO-RYUDHWBXSA-N	-1	0	276.292	0.636	20	30		CCEDRM
CC(=O)N[C@@H](CSc1cc(C#N)nc(C)n1)C(=O)[O-]	ZINC000308393954	963271836	/nfs/dbraw/zinc/27/18/36/963271836.db2.gz	CHIZSIQZHPFZSN-VIFPVBQESA-N	-1	0	280.309	0.338	20	30		CCEDRM
C#CCN(C)S(=O)(=O)c1ccc(C(=O)[O-])c(F)c1	ZINC000310878361	963440592	/nfs/dbraw/zinc/44/05/92/963440592.db2.gz	UFCSOLAMAWPHIK-UHFFFAOYSA-N	-1	0	271.269	0.778	20	30		CCEDRM
CC#CCCNS(=O)(=O)c1cc(C(=O)[O-])ccn1	ZINC000311218398	963468411	/nfs/dbraw/zinc/46/84/11/963468411.db2.gz	SXNJUGRFYCOFKU-UHFFFAOYSA-N	-1	0	268.294	0.472	20	30		CCEDRM
C#CCCCCNC(=O)C(=O)N[C@H]1CC=C(C(=O)[O-])C1	ZINC001588442725	964058592	/nfs/dbraw/zinc/05/85/92/964058592.db2.gz	VYLLJZPRHVXBFX-NSHDSACASA-N	-1	0	278.308	0.196	20	30		CCEDRM
C#CCCCNC(=O)C(=O)N[C@H]1C[C@H]2C[C@@H](C(=O)[O-])C[C@H]21	ZINC001588446488	964075320	/nfs/dbraw/zinc/07/53/20/964075320.db2.gz	NKNJLZGMRSSYHY-KKOKHZNYSA-N	-1	0	292.335	0.132	20	30		CCEDRM
C#CCCN(CCOC)C(=O)CCc1ocnc1C(=O)[O-]	ZINC001588447434	964087554	/nfs/dbraw/zinc/08/75/54/964087554.db2.gz	JQACDLSFEWMJJD-UHFFFAOYSA-N	-1	0	294.307	0.804	20	30		CCEDRM
C#CCN(CC(=O)[O-])C(=O)N[C@H]1CSC[C@H]1C	ZINC000397864275	968259802	/nfs/dbraw/zinc/25/98/02/968259802.db2.gz	ZHVQHBCPKNOKBC-BDAKNGLRSA-N	-1	0	256.327	0.467	20	30		CCEDRM
CCCN(CC(=O)[O-])C(=O)Cc1noc(C)c1C#N	ZINC001595849980	970388722	/nfs/dbraw/zinc/38/87/22/970388722.db2.gz	NFKVRWTUICBSKC-UHFFFAOYSA-N	-1	0	265.269	0.720	20	30		CCEDRM
C=CCCCCN1CCS(=O)(=O)C[C@@H]1C(=O)[O-]	ZINC001609626182	970426142	/nfs/dbraw/zinc/42/61/42/970426142.db2.gz	CUMUQZUVLRPZPW-SNVBAGLBSA-N	-1	0	261.343	0.526	20	30		CCEDRM
C=CC[C@@H](CO)NS(=O)(=O)c1ccc(CC(=O)[O-])cc1	ZINC000320314303	970648544	/nfs/dbraw/zinc/64/85/44/970648544.db2.gz	VEZOBHCIPBIYQA-NSHDSACASA-N	-1	0	299.348	0.529	20	30		CCEDRM
CN(CCC#N)C(=O)[C@H]1CO[C@@H](CCC(=O)[O-])C1	ZINC001604126644	972532994	/nfs/dbraw/zinc/53/29/94/972532994.db2.gz	FZEDXMHVIIQFNG-ZJUUUORDSA-N	-1	0	254.286	0.628	20	30		CCEDRM
C[C@@H]1C[C@@]1(C(=O)[O-])C(=O)N1CCO[C@](C)(C#N)C1	ZINC001605020755	972627596	/nfs/dbraw/zinc/62/75/96/972627596.db2.gz	MJSRVMLBZVUJKD-FXAINCCUSA-N	-1	0	252.270	0.238	20	30		CCEDRM
Cc1c(Br)cc(C#N)c(=O)n1CC(=O)[O-]	ZINC001605067282	972697243	/nfs/dbraw/zinc/69/72/43/972697243.db2.gz	UYGXSJCGIAZZTE-UHFFFAOYSA-N	-1	0	271.070	0.876	20	30		CCEDRM
CC[C@@H](C#N)C(=O)N[C@@H](CCC(=O)OC)C(=O)[O-]	ZINC001603487764	973415104	/nfs/dbraw/zinc/41/51/04/973415104.db2.gz	BPBQDEFKPCCZCB-YUMQZZPRSA-N	-1	0	256.258	0.059	20	30		CCEDRM
C#CCCCCC(=O)N1C[C@@H](O)C[C@H](C(=O)[O-])C1	ZINC000401877771	973483703	/nfs/dbraw/zinc/48/37/03/973483703.db2.gz	MSIMSJYWVLVJNU-QWRGUYRKSA-N	-1	0	253.298	0.474	20	30		CCEDRM
N#Cc1ccc(F)cc1CN1C[C@H](C(=O)[O-])C[C@H](O)C1	ZINC000401924616	973537531	/nfs/dbraw/zinc/53/75/31/973537531.db2.gz	QIJVBVNZCSHXDF-YPMHNXCESA-N	-1	0	278.283	0.965	20	30		CCEDRM
Cc1ccnc(N2C[C@H](O)C[C@@H](C(=O)[O-])C2)c1C#N	ZINC000401968044	973573463	/nfs/dbraw/zinc/57/34/63/973573463.db2.gz	HQGIEVDQPOHMMH-NXEZZACHSA-N	-1	0	261.281	0.534	20	30		CCEDRM
N#CC1(CNC(=O)[C@H]2CC(C(=O)[O-])=NO2)CCCCC1	ZINC001605576183	973844969	/nfs/dbraw/zinc/84/49/69/973844969.db2.gz	KRYBHTPACTVZQI-SNVBAGLBSA-N	-1	0	279.296	0.806	20	30		CCEDRM
N#CCOc1cc(F)ccc1NC(=O)COCC(=O)[O-]	ZINC001605585941	973879033	/nfs/dbraw/zinc/87/90/33/973879033.db2.gz	NLEIKIJCEIRQCC-UHFFFAOYSA-N	-1	0	282.227	0.768	20	30		CCEDRM
N#Cc1cc(N2C[C@H](C(=O)[O-])C[C@H](O)C2)c([N+](=O)[O-])s1	ZINC000407258420	973921915	/nfs/dbraw/zinc/92/19/15/973921915.db2.gz	FTBILAOFHSBBMO-RQJHMYQMSA-N	-1	0	297.292	0.800	20	30		CCEDRM
N#Cc1cccc(NC(=O)COC(=O)CCC(=O)[O-])c1	ZINC001605617851	973937249	/nfs/dbraw/zinc/93/72/49/973937249.db2.gz	YMIMSPFNUOMJEZ-UHFFFAOYSA-N	-1	0	276.248	0.905	20	30		CCEDRM
COc1ccc(NC(=O)[C@H](OC)C(=O)[O-])cc1C#N	ZINC001604809298	974046833	/nfs/dbraw/zinc/04/68/33/974046833.db2.gz	FISGSUPZMZPRPM-JTQLQIEISA-N	-1	0	264.237	0.605	20	30		CCEDRM
CCN(CC(=O)N[C@@](C)(C#N)C1CC1)[C@@H](C)C(=O)[O-]	ZINC001603724765	974163716	/nfs/dbraw/zinc/16/37/16/974163716.db2.gz	WZQOKPXGVVXYBM-ZANVPECISA-N	-1	0	267.329	0.590	20	30		CCEDRM
CCOC(=O)C[C@@H](C)CNC(=O)[C@](C)(C#N)CC(=O)[O-]	ZINC001603793130	974256319	/nfs/dbraw/zinc/25/63/19/974256319.db2.gz	CCZVVMMMMIVCRO-RNCFNFMXSA-N	-1	0	284.312	0.696	20	30		CCEDRM
CC[C@H](NC(=O)N[C@H](CC#N)C(F)(F)F)C(=O)[O-]	ZINC001603943523	974425972	/nfs/dbraw/zinc/42/59/72/974425972.db2.gz	AZHBPLAUUQNORG-NTSWFWBYSA-N	-1	0	267.207	0.993	20	30		CCEDRM
CCn1nnc(C)c1CNC(=O)[C@@](C)(C#N)CC(=O)[O-]	ZINC001604024464	974543133	/nfs/dbraw/zinc/54/31/33/974543133.db2.gz	PUQWWQQZAXRIHB-GFCCVEGCSA-N	-1	0	279.300	0.227	20	30		CCEDRM
CC(C)NC(=S)NN=Cc1ccc(C(=O)[O-])n1C	ZINC001591660775	975396343	/nfs/dbraw/zinc/39/63/43/975396343.db2.gz	JSENWPWWRWDSBL-UHFFFAOYSA-N	-1	0	268.342	0.930	20	30		CCEDRM
C[C@@H](/C=C\C(=O)[O-])NS(=O)(=O)c1ccc(C#N)cn1	ZINC001592210185	977252646	/nfs/dbraw/zinc/25/26/46/977252646.db2.gz	BIOYKEUXBMSWKS-YAPUSRSVSA-N	-1	0	281.293	0.261	20	30		CCEDRM
C[C@H](CC#N)N(C)C(=O)Cn1cccc(C(=O)[O-])c1=O	ZINC001592221293	977396364	/nfs/dbraw/zinc/39/63/64/977396364.db2.gz	ALNMVYLWZDZZQA-SECBINFHSA-N	-1	0	277.280	0.307	20	30		CCEDRM
C[C@H](CC(=O)[O-])C(=O)NCC#C[C@@H]1CCCCO1	ZINC001592351437	977825021	/nfs/dbraw/zinc/82/50/21/977825021.db2.gz	JZPGZGXBLZQPHS-MNOVXSKESA-N	-1	0	253.298	0.786	20	30		CCEDRM
C[C@H](CC(=O)[O-])CC(=O)N1CCO[C@@](C)(C#N)C1	ZINC001592375959	977915213	/nfs/dbraw/zinc/91/52/13/977915213.db2.gz	YHJDWNSFHXMMCU-CABZTGNLSA-N	-1	0	254.286	0.628	20	30		CCEDRM
CCCC[C@H](ON=C(C)C)C(=O)NC[C@H](O)C(=O)[O-]	ZINC001595652372	982033612	/nfs/dbraw/zinc/03/36/12/982033612.db2.gz	SVQBOHAQEDFDMI-UWVGGRQHSA-N	-1	0	274.317	0.519	20	30		CCEDRM
CC[C@H](C)[C@H](NC(=O)CN(C)C[C@@H](C)C#N)C(=O)[O-]	ZINC001594887509	982273351	/nfs/dbraw/zinc/27/33/51/982273351.db2.gz	QQYLJBAKXSAEAN-NHCYSSNCSA-N	-1	0	269.345	0.693	20	30		CCEDRM
Cn1cc(C(=O)[O-])c(NC(=O)c2cc(C#N)ccn2)n1	ZINC001574211843	983192755	/nfs/dbraw/zinc/19/27/55/983192755.db2.gz	HGQYMGSOMQUJNK-UHFFFAOYSA-N	-1	0	271.236	0.637	20	30		CCEDRM
N#Cc1ccc(CNS(=O)(=O)C2(C(=O)[O-])CCC2)nc1	ZINC001574244990	983201362	/nfs/dbraw/zinc/20/13/62/983201362.db2.gz	DZLHDLNHYXSKOA-UHFFFAOYSA-N	-1	0	295.320	0.380	20	30		CCEDRM
N#Cc1ccc(C(=O)N[C@H](C[C@H]2CCCO2)C(=O)[O-])cn1	ZINC001574245264	983201618	/nfs/dbraw/zinc/20/16/18/983201618.db2.gz	JIVUAMQUUCIACH-VXGBXAGGSA-N	-1	0	289.291	0.705	20	30		CCEDRM
C#C[C@@H](C)NC(=O)N[C@@H]1CCCn2nc(C(=O)[O-])cc21	ZINC001588368020	983302591	/nfs/dbraw/zinc/30/25/91/983302591.db2.gz	FMIIRVUCWZQEDS-RKDXNWHRSA-N	-1	0	276.296	0.737	20	30		CCEDRM
C#C[C@H](C)NC(=O)C(=O)Nc1ccsc1C(=O)[O-]	ZINC001588368443	983306292	/nfs/dbraw/zinc/30/62/92/983306292.db2.gz	NETJTVUXLCEQJO-LURJTMIESA-N	-1	0	266.278	0.523	20	30		CCEDRM
C#C[C@@H](C)N(C)S(=O)(=O)c1cnc(C)c(C(=O)[O-])c1	ZINC001588368934	983308749	/nfs/dbraw/zinc/30/87/49/983308749.db2.gz	VZYODRNEGISZQU-MRVPVSSYSA-N	-1	0	282.321	0.730	20	30		CCEDRM
C#C[C@H](CCC)NS(=O)(=O)C1(C(=O)[O-])CCC1	ZINC001588370675	983320933	/nfs/dbraw/zinc/32/09/33/983320933.db2.gz	KSIREWYJTNVINN-SECBINFHSA-N	-1	0	259.327	0.715	20	30		CCEDRM
C#C[C@H](NCc1cnc(C(=O)[O-])cn1)[C@@H]1CCCO1	ZINC001588377085	983355141	/nfs/dbraw/zinc/35/51/41/983355141.db2.gz	IXEZTAHJISCWPM-JQWIXIFHSA-N	-1	0	261.281	0.445	20	30		CCEDRM
C#CC1(O)CN(C(=O)NCc2cc(C(=O)[O-])c(C)o2)C1	ZINC001588379439	983364185	/nfs/dbraw/zinc/36/41/85/983364185.db2.gz	HRFJWFFUPCKCGH-UHFFFAOYSA-N	-1	0	278.264	0.176	20	30		CCEDRM
C#CC1(NC(=O)NCCC(=O)NCCC(=O)[O-])CCCC1	ZINC001588379521	983364691	/nfs/dbraw/zinc/36/46/91/983364691.db2.gz	JVPTWMVEBPSDSY-UHFFFAOYSA-N	-1	0	295.339	0.213	20	30		CCEDRM
C#C[C@@H]1CCCN(S(=O)(=O)C2(C(=O)[O-])CCC2)C1	ZINC001588383318	983379700	/nfs/dbraw/zinc/37/97/00/983379700.db2.gz	UFDUYUCALXAUPH-SNVBAGLBSA-N	-1	0	271.338	0.669	20	30		CCEDRM
C#C[C@H]1CCCN(S(=O)(=O)c2cc(C(=O)[O-])cn2C)C1	ZINC001588383343	983380071	/nfs/dbraw/zinc/38/00/71/983380071.db2.gz	WHXYKMULZAJJTH-JTQLQIEISA-N	-1	0	296.348	0.757	20	30		CCEDRM
C#CC[C@H](NC(=O)C(=O)c1ccc(O)cc1)C(=O)[O-]	ZINC001588393356	983397513	/nfs/dbraw/zinc/39/75/13/983397513.db2.gz	AKPVBEZIEMCZDH-JTQLQIEISA-N	-1	0	261.233	0.168	20	30		CCEDRM
C#CC[C@H](COC)OC(=O)C12CC(C(=O)[O-])(C1)C2	ZINC001588394329	983402333	/nfs/dbraw/zinc/40/23/33/983402333.db2.gz	KUALDNNABKJMGE-UHEGKEBESA-N	-1	0	252.266	0.823	20	30		CCEDRM
C#CC[C@H](NC(=O)C12CCC(C(=O)OC)(CC1)C2)C(=O)[O-]	ZINC001588398276	983411738	/nfs/dbraw/zinc/41/17/38/983411738.db2.gz	GDXHQJWNVMUPAK-ISAOAKOHSA-N	-1	0	293.319	0.703	20	30		CCEDRM
C#CC[C@H](NC(=O)COCc1ncc(C)o1)C(=O)[O-]	ZINC001588404520	983417923	/nfs/dbraw/zinc/41/79/23/983417923.db2.gz	CQVZBVZMYUZKAK-VIFPVBQESA-N	-1	0	266.253	0.092	20	30		CCEDRM
C#CC[C@H](NC(=O)CCc1cc(OC)no1)C(=O)[O-]	ZINC001588406089	983423730	/nfs/dbraw/zinc/42/37/30/983423730.db2.gz	XHDMLSGQDPZNSA-VIFPVBQESA-N	-1	0	266.253	0.209	20	30		CCEDRM
C#CC[C@@H](NC(=O)/C=C(\C)c1cnccn1)C(=O)[O-]	ZINC001588407036	983427276	/nfs/dbraw/zinc/42/72/76/983427276.db2.gz	UTGYTMKUHHKBNV-TTZKWOQHSA-N	-1	0	259.265	0.473	20	30		CCEDRM
C#CC[C@@H](NC(=O)Cc1ccncc1Cl)C(=O)[O-]	ZINC001588408013	983430362	/nfs/dbraw/zinc/43/03/62/983430362.db2.gz	UXGVRQIKOCXQKE-SNVBAGLBSA-N	-1	0	266.684	0.870	20	30		CCEDRM
C#CC[C@H](NC(=O)c1cc(=O)n(C)c2ccccc12)C(=O)[O-]	ZINC001588414430	983434161	/nfs/dbraw/zinc/43/41/61/983434161.db2.gz	SVCKVIXOPQBSGO-LBPRGKRZSA-N	-1	0	298.298	0.745	20	30		CCEDRM
C#CC[C@H](NC(=O)c1cccc2c[nH]nc21)C(=O)[O-]	ZINC001588416281	983436753	/nfs/dbraw/zinc/43/67/53/983436753.db2.gz	LVFSOXUDOPNEDX-JTQLQIEISA-N	-1	0	257.249	0.769	20	30		CCEDRM
C#CC[C@H](NC(=O)c1cccc([S@](C)=O)c1)C(=O)[O-]	ZINC001588416849	983437569	/nfs/dbraw/zinc/43/75/69/983437569.db2.gz	RPWUJEKMPWDFCF-WLRWDXFRSA-N	-1	0	279.317	0.630	20	30		CCEDRM
C#CC[C@H](NCc1ccccc1OCC(=O)[O-])C(=O)OC	ZINC001588421593	983441730	/nfs/dbraw/zinc/44/17/30/983441730.db2.gz	AOCZPEFITVQJIF-LBPRGKRZSA-N	-1	0	291.303	0.805	20	30		CCEDRM
C#CC[C@@H]1NC(=O)N(CCCCCCC(=O)[O-])C1=O	ZINC001588434571	983470809	/nfs/dbraw/zinc/47/08/09/983470809.db2.gz	NKZCUEVNUXSEAD-JTQLQIEISA-N	-1	0	266.297	0.965	20	30		CCEDRM
C#CC[C@@H]1CCN(C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)[O-])C1	ZINC001588434546	983470837	/nfs/dbraw/zinc/47/08/37/983470837.db2.gz	MXYGASUOUIINHQ-GARJFASQSA-N	-1	0	295.339	0.019	20	30		CCEDRM
C#CC[C@H]1CCCN(S(=O)(=O)C[C@@H](C)C(=O)[O-])C1	ZINC001588434664	983471335	/nfs/dbraw/zinc/47/13/35/983471335.db2.gz	PWVQXUYWROMZOA-MNOVXSKESA-N	-1	0	273.354	0.772	20	30		CCEDRM
CCN(C(=O)Cn1ccc(C(=O)[O-])n1)[C@@H](C)C#N	ZINC001596147952	983503486	/nfs/dbraw/zinc/50/34/86/983503486.db2.gz	MIDYIPBGPREHKO-QMMMGPOBSA-N	-1	0	250.258	0.342	20	30		CCEDRM
CCN(C(=O)Cn1cccc(C(=O)[O-])c1=O)[C@@H](C)C#N	ZINC001596148155	983504305	/nfs/dbraw/zinc/50/43/05/983504305.db2.gz	RNKHKEOIVVQWES-VIFPVBQESA-N	-1	0	277.280	0.307	20	30		CCEDRM
C#CCNC(=O)[C@H](C)OC(=O)c1ccc(C(=O)[O-])n1C	ZINC001588479221	983518308	/nfs/dbraw/zinc/51/83/08/983518308.db2.gz	DMPGYFLXKZBKTP-QMMMGPOBSA-N	-1	0	278.264	0.018	20	30		CCEDRM
C#CCNC(=O)[C@@H](C)OC(=O)/C=C/c1ccc(C(=O)[O-])o1	ZINC001588479397	983519057	/nfs/dbraw/zinc/51/90/57/983519057.db2.gz	MLEMDPYVCMIZNC-VPIOIWJLSA-N	-1	0	291.259	0.672	20	30		CCEDRM
C#CCNS(=O)(=O)c1ccc(C#N)cc1C(=O)[O-]	ZINC001588486303	983527304	/nfs/dbraw/zinc/52/73/04/983527304.db2.gz	RWQJVUYZAJLYGK-UHFFFAOYSA-N	-1	0	264.262	0.168	20	30		CCEDRM
C#CCOCCC(=O)NCc1ncc(C(=O)[O-])s1	ZINC001588489714	983528607	/nfs/dbraw/zinc/52/86/07/983528607.db2.gz	JYDADYJGFDEIGI-UHFFFAOYSA-N	-1	0	268.294	0.497	20	30		CCEDRM
C#CCOCCNS(=O)(=O)[C@@H]1CCCC[C@@H]1C(=O)[O-]	ZINC001588490984	983534911	/nfs/dbraw/zinc/53/49/11/983534911.db2.gz	BBQPOMIPUISBMM-WDEREUQCSA-N	-1	0	289.353	0.199	20	30		CCEDRM
C#CCSCC(=O)NC1(C(=O)[O-])CCOCC1	ZINC001588506011	983550410	/nfs/dbraw/zinc/55/04/10/983550410.db2.gz	DSDDSLOWCPMTHK-UHFFFAOYSA-N	-1	0	257.311	0.103	20	30		CCEDRM
C#CCSCC(=O)O[C@@H]1CCCN(CCC(=O)[O-])C1=O	ZINC001588506291	983551233	/nfs/dbraw/zinc/55/12/33/983551233.db2.gz	OMZHVVPXTQGPLG-SNVBAGLBSA-N	-1	0	299.348	0.362	20	30		CCEDRM
C#CCSCCNS(=O)(=O)C1(C(=O)[O-])CCC1	ZINC001588506583	983552062	/nfs/dbraw/zinc/55/20/62/983552062.db2.gz	YFUQQLPDPLKAPV-UHFFFAOYSA-N	-1	0	277.367	0.280	20	30		CCEDRM
C#CCSCC(=O)Nc1nn(C)cc1C(=O)[O-]	ZINC001588506570	983552073	/nfs/dbraw/zinc/55/20/73/983552073.db2.gz	XFHJMKWLUYDPBR-UHFFFAOYSA-N	-1	0	253.283	0.423	20	30		CCEDRM
C#CCn1cc(CNC(=O)c2ccc(C(=O)[O-])cn2)cn1	ZINC001588509564	983553182	/nfs/dbraw/zinc/55/31/82/983553182.db2.gz	KSTASEKOMUNTPO-UHFFFAOYSA-N	-1	0	284.275	0.540	20	30		CCEDRM
C#Cc1ccc(C(=O)N[C@H](Cn2ccnc2)C(=O)[O-])cn1	ZINC001588510872	983557790	/nfs/dbraw/zinc/55/77/90/983557790.db2.gz	NEEPBBVDFDMSEE-GFCCVEGCSA-N	-1	0	284.275	0.143	20	30		CCEDRM
C#Cc1ccc(C(=O)N2CCSC[C@@H](C(=O)[O-])C2)nc1	ZINC001588510923	983558004	/nfs/dbraw/zinc/55/80/04/983558004.db2.gz	OPOVJQYUOFBMOG-NSHDSACASA-N	-1	0	290.344	0.953	20	30		CCEDRM
C#Cc1ccccc1CC(=O)N1CCO[C@H](CC(=O)[O-])C1	ZINC001588524416	983574965	/nfs/dbraw/zinc/57/49/65/983574965.db2.gz	JKEVNRLKYCUUIA-CQSZACIVSA-N	-1	0	287.315	0.913	20	30		CCEDRM
C#Cc1ccccc1CC(=O)N1C[C@@H](O)C[C@H](C(=O)[O-])C1	ZINC001588524899	983576709	/nfs/dbraw/zinc/57/67/09/983576709.db2.gz	YFHBQKWVRAXOJP-KBPBESRZSA-N	-1	0	287.315	0.504	20	30		CCEDRM
C#Cc1ccccc1CC(=O)OCCn1cc(C(=O)[O-])nn1	ZINC001588529120	983580075	/nfs/dbraw/zinc/58/00/75/983580075.db2.gz	RDMWVOCCUQSVCH-UHFFFAOYSA-N	-1	0	299.286	0.744	20	30		CCEDRM
CCN(CC#N)CCCN1C(=O)CS/C1=C\C(=O)[O-]	ZINC001596200387	983585487	/nfs/dbraw/zinc/58/54/87/983585487.db2.gz	ZDICJOPAXQDPTR-FLIBITNWSA-N	-1	0	283.353	0.723	20	30		CCEDRM
C=C(C)C[C@H](CO)NC(=O)NCc1ncc(C(=O)[O-])s1	ZINC001588534722	983586636	/nfs/dbraw/zinc/58/66/36/983586636.db2.gz	CJBNEPVKFNDJLA-MRVPVSSYSA-N	-1	0	299.352	0.968	20	30		CCEDRM
C=C(C)C[C@@H](NC(C)=O)C(=O)NCCCCC(=O)[O-]	ZINC001588547294	983619216	/nfs/dbraw/zinc/61/92/16/983619216.db2.gz	JQCOCEPUVWCHPM-LLVKDONJSA-N	-1	0	270.329	0.828	20	30		CCEDRM
C=C(C)C[C@@H](NC(=O)c1cnc(C(=O)OC)cn1)C(=O)[O-]	ZINC001588547446	983620293	/nfs/dbraw/zinc/62/02/93/983620293.db2.gz	CALPLGOCYBJLDL-MRVPVSSYSA-N	-1	0	293.279	0.412	20	30		CCEDRM
C=C(C)C[C@H](NC(=O)c1csc(CN)n1)C(=O)[O-]	ZINC001588548795	983625586	/nfs/dbraw/zinc/62/55/86/983625586.db2.gz	UGKNGUPCJINIOU-ZETCQYMHSA-N	-1	0	269.326	0.751	20	30		CCEDRM
C=C(C)C[C@@H](NS(=O)(=O)c1ccc(N)cc1)C(=O)[O-]	ZINC001588555790	983637500	/nfs/dbraw/zinc/63/75/00/983637500.db2.gz	SAUCGPUJBUBSKT-LLVKDONJSA-N	-1	0	284.337	0.967	20	30		CCEDRM
C=C(C)CNC(=S)NC[C@H]1CCO[C@H]1C(=O)[O-]	ZINC001588569695	983649750	/nfs/dbraw/zinc/64/97/50/983649750.db2.gz	ILEBXXTYHZQMLC-RKDXNWHRSA-N	-1	0	258.343	0.516	20	30		CCEDRM
C=C(CCC(=O)[O-])C(=O)N(C)[C@@H]1CCS(=O)(=O)C1	ZINC001588606634	983697725	/nfs/dbraw/zinc/69/77/25/983697725.db2.gz	CATUJPGQGVZXGO-SECBINFHSA-N	-1	0	275.326	0.053	20	30		CCEDRM
C=C(CCC(=O)[O-])C(=O)N1C[C@@H](CO)OC[C@H]1C	ZINC001588612293	983702603	/nfs/dbraw/zinc/70/26/03/983702603.db2.gz	LQUDJFDIWXHFOO-ZJUUUORDSA-N	-1	0	257.286	0.016	20	30		CCEDRM
C=C(CCC(=O)[O-])C(=O)N1C[C@@H](C(N)=O)CC[C@@H]1C	ZINC001588612588	983703371	/nfs/dbraw/zinc/70/33/71/983703371.db2.gz	SPUIHLRXJUGALG-UWVGGRQHSA-N	-1	0	268.313	0.520	20	30		CCEDRM
C=C(CCC(=O)[O-])C(=O)N1[C@H](C)C(=O)N[C@H](C)[C@H]1C	ZINC001588612716	983703824	/nfs/dbraw/zinc/70/38/24/983703824.db2.gz	WMAFKOPREKALQV-OPRDCNLKSA-N	-1	0	268.313	0.531	20	30		CCEDRM
C=C(CCC(=O)[O-])C(=O)N1CCN(CC(F)F)CC1	ZINC001588615361	983711455	/nfs/dbraw/zinc/71/14/55/983711455.db2.gz	RMXVLFRWWVPCCB-UHFFFAOYSA-N	-1	0	276.283	0.817	20	30		CCEDRM
C=C(CCC(=O)[O-])C(=O)NC[C@@H](CO)Cc1ccco1	ZINC001588623724	983729656	/nfs/dbraw/zinc/72/96/56/983729656.db2.gz	VOZHVMAAAJFRHY-NSHDSACASA-N	-1	0	281.308	0.968	20	30		CCEDRM
C=C(CCC(=O)[O-])C(=O)NCc1cn(CC)c(=O)[nH]c1=O	ZINC001588630078	983741279	/nfs/dbraw/zinc/74/12/79/983741279.db2.gz	PXJBIYDUDGQCMX-UHFFFAOYSA-N	-1	0	295.295	0.006	20	30		CCEDRM
C=C(CO)C(=O)N[C@H](C)c1ccc(OCC(=O)[O-])cc1	ZINC001588637740	983761075	/nfs/dbraw/zinc/76/10/75/983761075.db2.gz	UUMPCGCYVXMGDP-SNVBAGLBSA-N	-1	0	279.292	0.876	20	30		CCEDRM
C=C(CO)C(=O)Nc1nc2c(s1)CC[C@@H](C(=O)[O-])C2	ZINC001588637959	983762046	/nfs/dbraw/zinc/76/20/46/983762046.db2.gz	ZSGZLPYIPXMKNI-SSDOTTSWSA-N	-1	0	282.321	0.820	20	30		CCEDRM
C=C1CC(C)(C(=O)N2C[C@@H](O)C[C@H](C(=O)[O-])C2)C1	ZINC001588643288	983765499	/nfs/dbraw/zinc/76/54/99/983765499.db2.gz	CDRTVXRCEJRSOM-UWVGGRQHSA-N	-1	0	253.298	0.637	20	30		CCEDRM
C=C[C@@H](C(=O)[O-])N1CCN(C(=O)N2CCCC2)CC1	ZINC001588662806	983792094	/nfs/dbraw/zinc/79/20/94/983792094.db2.gz	HTVSRPPDMNKTEG-NSHDSACASA-N	-1	0	267.329	0.459	20	30		CCEDRM
C=C[C@H](C(=O)[O-])n1cc(C[C@H](CC)C(=O)OC)nn1	ZINC001588672576	983826292	/nfs/dbraw/zinc/82/62/92/983826292.db2.gz	WHGFMKQUUAMZSO-WCBMZHEXSA-N	-1	0	267.285	0.832	20	30		CCEDRM
C=CC(C)(C)CNC(=O)N1C[C@H](C(=O)[O-])[C@H](C(=O)OC)C1	ZINC001588676841	983831317	/nfs/dbraw/zinc/83/13/17/983831317.db2.gz	FFBLQGJFEAVGON-VHSXEESVSA-N	-1	0	298.339	0.714	20	30		CCEDRM
C=C[C@](C)(O)CC(=O)N1CC[C@H](OC)C[C@@H]1C(=O)[O-]	ZINC001588683887	983852717	/nfs/dbraw/zinc/85/27/17/983852717.db2.gz	GNBZZJNKIWRSQP-CWSCBRNRSA-N	-1	0	271.313	0.404	20	30		CCEDRM
C=C[C@@](C)(O)CC(=O)N1CC[C@@H](C(=O)[O-])[C@@H](C)C1	ZINC001588684204	983857030	/nfs/dbraw/zinc/85/70/30/983857030.db2.gz	NIORTOPRDQZBLR-OPQQBVKSSA-N	-1	0	255.314	0.883	20	30		CCEDRM
CCN(Cn1nc(C(=O)OC)cc1C(=O)[O-])[C@@H](C)C#N	ZINC001596380434	983901593	/nfs/dbraw/zinc/90/15/93/983901593.db2.gz	HNKFUFKYAAZXRV-QMMMGPOBSA-N	-1	0	280.284	0.559	20	30		CCEDRM
C=C[C@H](N[C@H](Cc1ccccc1)C(=O)OC)C(=O)[O-]	ZINC001588697200	983904133	/nfs/dbraw/zinc/90/41/33/983904133.db2.gz	RZBFTBFHIZWWTI-NWDGAFQWSA-N	-1	0	263.293	1.000	20	30		CCEDRM
C=C[C@@H](OC(=O)[C@@H]1CC[C@H](CN2CCOCC2)O1)C(=O)[O-]	ZINC001588712228	983942815	/nfs/dbraw/zinc/94/28/15/983942815.db2.gz	USFUZYVNSQZMNU-UTUOFQBUSA-N	-1	0	299.323	0.049	20	30		CCEDRM
C=CC[C@H](C(=O)OC)N1CCC(C#N)(C(=O)[O-])CC1	ZINC001588732287	984016948	/nfs/dbraw/zinc/01/69/48/984016948.db2.gz	YQGHWYKVABHZQC-SNVBAGLBSA-N	-1	0	266.297	0.794	20	30		CCEDRM
C=CCC(C)(C)Cn1nnnc1N1CCO[C@@H](C(=O)[O-])C1	ZINC001588735982	984022345	/nfs/dbraw/zinc/02/23/45/984022345.db2.gz	ATHHYMGXAMFQDE-SNVBAGLBSA-N	-1	0	295.343	0.565	20	30		CCEDRM
C=CC[C@@H](CO)NC(=O)N[C@@H]1CCC[C@H]1CC(=O)[O-]	ZINC001588744707	984045413	/nfs/dbraw/zinc/04/54/13/984045413.db2.gz	PTDXMVYWVGVEDW-GARJFASQSA-N	-1	0	270.329	0.866	20	30		CCEDRM
C=CC[C@@H](OC(=O)[C@@H]1CCc2nnc(C)n2C1)C(=O)[O-]	ZINC001588753243	984083658	/nfs/dbraw/zinc/08/36/58/984083658.db2.gz	DAPLNBBFYYDGDO-NXEZZACHSA-N	-1	0	279.296	0.721	20	30		CCEDRM
C=CC[C@H](OC(=O)[C@H]1CCN(C)C(=O)C1)C(=O)[O-]	ZINC001588753605	984087389	/nfs/dbraw/zinc/08/73/89/984087389.db2.gz	KNPNPTIJWXLSAV-IUCAKERBSA-N	-1	0	255.270	0.427	20	30		CCEDRM
C=CC[C@@H](OC(=O)c1c(C)nnn1CC)C(=O)[O-]	ZINC001588756343	984097991	/nfs/dbraw/zinc/09/79/91/984097991.db2.gz	KDYGLZOFZXMTEU-MRVPVSSYSA-N	-1	0	253.258	0.793	20	30		CCEDRM
C=CCCCC(=O)NC1CN(C(=O)[C@@H]2C[C@@H]2C(=O)[O-])C1	ZINC001588783012	984176014	/nfs/dbraw/zinc/17/60/14/984176014.db2.gz	STXFGUGZAAJQOA-MNOVXSKESA-N	-1	0	280.324	0.390	20	30		CCEDRM
C=CCCC[C@@H](NC(=O)[C@H]1CCCS1(=O)=O)C(=O)[O-]	ZINC001588789848	984201558	/nfs/dbraw/zinc/20/15/58/984201558.db2.gz	LFTVZIWVRFSEAZ-NXEZZACHSA-N	-1	0	289.353	0.489	20	30		CCEDRM
C=CCCC[C@H](NC(=O)c1nc2ncccn2n1)C(=O)[O-]	ZINC001588797999	984232741	/nfs/dbraw/zinc/23/27/41/984232741.db2.gz	QPDSAWOIOJONBG-VIFPVBQESA-N	-1	0	289.295	0.664	20	30		CCEDRM
C=CCCN(C)C(=O)C(=O)N[C@@H]1CC=C(C(=O)[O-])C1	ZINC001588806022	984257365	/nfs/dbraw/zinc/25/73/65/984257365.db2.gz	YLPANSVAJAUICS-SNVBAGLBSA-N	-1	0	266.297	0.311	20	30		CCEDRM
C=CCCO[C@@H](C)C(=O)N[C@H](CC1OCCO1)C(=O)[O-]	ZINC001588808833	984263506	/nfs/dbraw/zinc/26/35/06/984263506.db2.gz	OAJPTEOFRQSVPA-VHSXEESVSA-N	-1	0	287.312	0.300	20	30		CCEDRM
C=CCCn1cc(C(=O)OCC(=O)C(C)(C)C(=O)[O-])nn1	ZINC001588817768	984277529	/nfs/dbraw/zinc/27/75/29/984277529.db2.gz	VHKHEHOJMJHLOX-UHFFFAOYSA-N	-1	0	295.295	0.691	20	30		CCEDRM
C=CCN(C)C(=O)C(=O)N[C@H]1C[C@@H]2C[C@]2(C(=O)[O-])C1	ZINC001588822278	984288477	/nfs/dbraw/zinc/28/84/77/984288477.db2.gz	DMYNPKCHZNPHHK-ZDMBXUJBSA-N	-1	0	266.297	0.000	20	30		CCEDRM
C=CCN(c1ncc(C(=O)[O-])s1)S(C)(=O)=O	ZINC001588832309	984321645	/nfs/dbraw/zinc/32/16/45/984321645.db2.gz	LMELEBYLARUZBK-UHFFFAOYSA-N	-1	0	262.312	0.793	20	30		CCEDRM
C=CCNC(=O)NC(=O)[C@@H](C)Sc1nc(C(=O)[O-])c[nH]1	ZINC001588843836	984354525	/nfs/dbraw/zinc/35/45/25/984354525.db2.gz	INBXLASSUAAXKY-ZCFIWIBFSA-N	-1	0	298.324	0.600	20	30		CCEDRM
C=CCNC(=O)CS(=O)(=O)Cc1ccccc1C(=O)[O-]	ZINC001588844486	984358810	/nfs/dbraw/zinc/35/88/10/984358810.db2.gz	IVJYTRVPQUBNDV-UHFFFAOYSA-N	-1	0	297.332	0.602	20	30		CCEDRM
C=CCOCC(=O)N[C@@H](C(=O)[O-])c1ccc(O)cc1	ZINC001588850975	984381703	/nfs/dbraw/zinc/38/17/03/984381703.db2.gz	MZBHOIFSXBIACL-GFCCVEGCSA-N	-1	0	265.265	0.837	20	30		CCEDRM
C=CCOC[C@@H](NC(=O)CCc1ccnc(C)n1)C(=O)[O-]	ZINC001588853576	984384186	/nfs/dbraw/zinc/38/41/86/984384186.db2.gz	AWYBYGMSHQJCBU-GFCCVEGCSA-N	-1	0	293.323	0.490	20	30		CCEDRM
C=CCOC[C@H](NC(=O)C[C@H]1CCOC1)C(=O)[O-]	ZINC001588854129	984388955	/nfs/dbraw/zinc/38/89/55/984388955.db2.gz	PCDBVEZIUXYZJZ-ZJUUUORDSA-N	-1	0	257.286	0.185	20	30		CCEDRM
C=CCOC[C@H](NC(=O)[C@@H]1CCc2nc[nH]c2C1)C(=O)[O-]	ZINC001588855907	984395426	/nfs/dbraw/zinc/39/54/26/984395426.db2.gz	QZWIIIOPOQIBPE-SKDRFNHKSA-N	-1	0	293.323	0.287	20	30		CCEDRM
C=CCOC[C@@H](NC(=O)c1ccc([N+](=O)[O-])cc1)C(=O)[O-]	ZINC001588861689	984416036	/nfs/dbraw/zinc/41/60/36/984416036.db2.gz	JYIJQABHQVQGQO-LLVKDONJSA-N	-1	0	294.263	0.980	20	30		CCEDRM
C=CCOCCN1CC[C@@H](C(=O)[O-])C[C@@H]1C(=O)OC	ZINC001588868882	984435823	/nfs/dbraw/zinc/43/58/23/984435823.db2.gz	FGMPIIPQHZEAMH-GHMZBOCLSA-N	-1	0	271.313	0.527	20	30		CCEDRM
C=CCOc1ccc(CN2CC(O)(C(=O)[O-])C2)cc1OC	ZINC001588874005	984447109	/nfs/dbraw/zinc/44/71/09/984447109.db2.gz	QZWFXZHLUOVYHV-UHFFFAOYSA-N	-1	0	293.319	0.891	20	30		CCEDRM
C=CCn1cc(C(=O)OC[C@H](CC)C(=O)[O-])nn1	ZINC001588909455	984543961	/nfs/dbraw/zinc/54/39/61/984543961.db2.gz	VGWSUVOHTACJKQ-QMMMGPOBSA-N	-1	0	253.258	0.732	20	30		CCEDRM
C=CCn1nnnc1N1CC[C@](C(=O)[O-])(C(F)(F)F)C1	ZINC001588912396	984551639	/nfs/dbraw/zinc/55/16/39/984551639.db2.gz	IOIUBBTYAZZIBA-VIFPVBQESA-N	-1	0	291.233	0.703	20	30		CCEDRM
C=C[C@@H]1OCC[C@H]1C(=O)N[C@H](Cc1cncs1)C(=O)[O-]	ZINC001588916276	984559386	/nfs/dbraw/zinc/55/93/86/984559386.db2.gz	CIBMBEFOOMTRCG-MXWKQRLJSA-N	-1	0	296.348	0.846	20	30		CCEDRM
C=C[C@@H]1OCC[C@H]1C(=O)N[C@H](CC1CCOCC1)C(=O)[O-]	ZINC001588916248	984559600	/nfs/dbraw/zinc/55/96/00/984559600.db2.gz	BNTCIKFQAIHOLD-UPJWGTAASA-N	-1	0	297.351	0.964	20	30		CCEDRM
C=C[C@@H]1OCC[C@H]1C(=O)Nc1cc(C(=O)[O-])n(C)n1	ZINC001588916699	984562845	/nfs/dbraw/zinc/56/28/45/984562845.db2.gz	ZSDSGMOQBOOSOU-APPZFPTMSA-N	-1	0	265.269	0.648	20	30		CCEDRM
C=C[C@@H]1OCCC[C@H]1NC(=O)[C@H]1C[C@@H](C)[C@H](C(=O)[O-])O1	ZINC001588916733	984562935	/nfs/dbraw/zinc/56/29/35/984562935.db2.gz	BJUPIOSBRFZPQT-RMPHRYRLSA-N	-1	0	283.324	0.714	20	30		CCEDRM
C=C[C@@H]1OCC[C@H]1C(=O)N[C@H](C[C@H]1CCCO1)C(=O)[O-]	ZINC001588916897	984564083	/nfs/dbraw/zinc/56/40/83/984564083.db2.gz	JTAWODZVXQUKIS-KKOKHZNYSA-N	-1	0	283.324	0.716	20	30		CCEDRM
C=C[C@@H]1OCC[C@H]1NC(=O)NCc1ncc(C(=O)[O-])s1	ZINC001588919653	984573459	/nfs/dbraw/zinc/57/34/59/984573459.db2.gz	GYPQVJRLGFGZCI-SFYZADRCSA-N	-1	0	297.336	0.984	20	30		CCEDRM
C=C[C@@H]1OCC[C@H]1NC(=O)[C@H]1C[C@@H](C)[C@H](C(=O)[O-])O1	ZINC001588919767	984574149	/nfs/dbraw/zinc/57/41/49/984574149.db2.gz	LSOCKPHOIMEJOI-KAMPLNKDSA-N	-1	0	269.297	0.324	20	30		CCEDRM
C=C[C@H](CO)NC(=O)NCCc1cccc(C(=O)[O-])c1	ZINC001588919914	984575310	/nfs/dbraw/zinc/57/53/10/984575310.db2.gz	OSELKQGGBUDANI-GFCCVEGCSA-N	-1	0	278.308	0.773	20	30		CCEDRM
C=C[C@H](CO)NCC(=O)Nc1ccccc1C(=O)[O-]	ZINC001588920056	984575821	/nfs/dbraw/zinc/57/58/21/984575821.db2.gz	UEWQOTCFHNUPND-SECBINFHSA-N	-1	0	264.281	0.460	20	30		CCEDRM
CC#CCCCC(=O)N1CC[C@@](OC)(C(=O)[O-])C1	ZINC001588925678	984588260	/nfs/dbraw/zinc/58/82/60/984588260.db2.gz	UYDROYNTTOZHHD-ZDUSSCGKSA-N	-1	0	253.298	0.882	20	30		CCEDRM
CC#CC[C@H](CO)NC(=O)NCc1ncc(C(=O)[O-])s1	ZINC001588926154	984591423	/nfs/dbraw/zinc/59/14/23/984591423.db2.gz	LJGFLRLJLXNROQ-MRVPVSSYSA-N	-1	0	297.336	0.415	20	30		CCEDRM
CC#CCCNS(=O)(=O)CCCCCC(=O)[O-]	ZINC001588927156	984597359	/nfs/dbraw/zinc/59/73/59/984597359.db2.gz	PEAGMQLEOIGEQY-UHFFFAOYSA-N	-1	0	261.343	0.964	20	30		CCEDRM
CC#CCN(C)C(=O)C(=O)N1CCC[C@H](CCC(=O)[O-])C1	ZINC001588930800	984599182	/nfs/dbraw/zinc/59/91/82/984599182.db2.gz	AHOVGEGZNIHONZ-GFCCVEGCSA-N	-1	0	294.351	0.572	20	30		CCEDRM
CC#CCNC(=O)C(=O)Nc1c(C)csc1C(=O)[O-]	ZINC001588931524	984603593	/nfs/dbraw/zinc/60/35/93/984603593.db2.gz	YTAGZOLEYCFMAN-UHFFFAOYSA-N	-1	0	280.305	0.833	20	30		CCEDRM
C/C(=C/CNC(=O)[C@]1(C#N)CCCOC1)C(=O)[O-]	ZINC001588965363	984756069	/nfs/dbraw/zinc/75/60/69/984756069.db2.gz	WSDJEOFKFNCIPZ-PPFSTCQPSA-N	-1	0	252.270	0.454	20	30		CCEDRM
C[C@H]1CN(C(=O)NCC2(C#N)CC2)C[C@@H](C(=O)[O-])O1	ZINC001599918643	985097768	/nfs/dbraw/zinc/09/77/68/985097768.db2.gz	ALJCXCGBQYDPGZ-IUCAKERBSA-N	-1	0	267.285	0.174	20	30		CCEDRM
C[C@H]1CN(C(=O)c2sccc2C#N)C[C@@H](C(=O)[O-])O1	ZINC001599925977	985200701	/nfs/dbraw/zinc/20/07/01/985200701.db2.gz	IACVFTZPDBKRPD-CBAPKCEASA-N	-1	0	280.305	0.934	20	30		CCEDRM
CC(=O)OC(C)(C)C(=O)N(CC#N)CCC(=O)[O-]	ZINC001589225087	985752182	/nfs/dbraw/zinc/75/21/82/985752182.db2.gz	QEDSRNOFSFVWHG-UHFFFAOYSA-N	-1	0	256.258	0.155	20	30		CCEDRM
C[C@H](C#N)C(=O)N1[C@@H](C)SC[C@H]1C(=O)NCCC(=O)[O-]	ZINC001589323563	986146401	/nfs/dbraw/zinc/14/64/01/986146401.db2.gz	FRTGJLFUGKGMTA-HLTSFMKQSA-N	-1	0	299.352	0.027	20	30		CCEDRM
Cc1c(C(=O)NC2(C(=O)[O-])CCC2)cnn1CCC#N	ZINC001599981061	986163282	/nfs/dbraw/zinc/16/32/82/986163282.db2.gz	RLBIDZKFWHTXGE-UHFFFAOYSA-N	-1	0	276.296	0.842	20	30		CCEDRM
C[C@@H](C#N)CNS(=O)(=O)c1ccc(F)cc1C(=O)[O-]	ZINC001589330454	986172163	/nfs/dbraw/zinc/17/21/63/986172163.db2.gz	FYOIZVAETXBARW-ZETCQYMHSA-N	-1	0	286.284	0.962	20	30		CCEDRM
CC[C@@H](C#N)C(=O)Nc1cnn(CC(=O)[O-])c1C	ZINC001594722835	987217516	/nfs/dbraw/zinc/21/75/16/987217516.db2.gz	WUYUNHQMVQYUNA-QMMMGPOBSA-N	-1	0	250.258	0.764	20	30		CCEDRM
CC[C@H](C#N)C(=O)N[C@H](CCC1OCCO1)C(=O)[O-]	ZINC001594722968	987218490	/nfs/dbraw/zinc/21/84/90/987218490.db2.gz	YDMKPSSPPKFNFW-RKDXNWHRSA-N	-1	0	270.285	0.259	20	30		CCEDRM
CC[C@@H](C#N)NC(=O)CC[C@@H]1C[C@H](C(=O)[O-])CO1	ZINC001597282585	987357092	/nfs/dbraw/zinc/35/70/92/987357092.db2.gz	ZCKULOAHUWPPJX-LPEHRKFASA-N	-1	0	254.286	0.675	20	30		CCEDRM
C[C@@H]1CN(C(=O)C2(C#N)CCOCC2)C[C@@H](C(=O)[O-])O1	ZINC001599853005	989043374	/nfs/dbraw/zinc/04/33/74/989043374.db2.gz	ROCXBAQJGODQQS-ZJUUUORDSA-N	-1	0	282.296	0.007	20	30		CCEDRM
C[C@@H]1CN(c2nnc([C@H]3C[C@@H]3C#N)n2C)C[C@H]1CC(=O)[O-]	ZINC001599870556	989343101	/nfs/dbraw/zinc/34/31/01/989343101.db2.gz	UVDRYGQMTKWIAK-DBIOUOCHSA-N	-1	0	289.339	0.989	20	30		CCEDRM
C[C@@H]1C[C@H](C(=O)N2CC[C@](C)(C#N)C2)O[C@H]1C(=O)[O-]	ZINC001599873269	989382776	/nfs/dbraw/zinc/38/27/76/989382776.db2.gz	JFGFXCJNEOUUME-VWMGYNLJSA-N	-1	0	266.297	0.627	20	30		CCEDRM
C[C@@H]1C[C@H](C(=O)NCC2(CC#N)CC2)O[C@H]1C(=O)[O-]	ZINC001599874394	989399414	/nfs/dbraw/zinc/39/94/14/989399414.db2.gz	AODXGDFMFFRYNS-OPRDCNLKSA-N	-1	0	266.297	0.675	20	30		CCEDRM
CN(C(=O)CSCC#N)[C@H](COC1CCC1)C(=O)[O-]	ZINC001598033619	990256527	/nfs/dbraw/zinc/25/65/27/990256527.db2.gz	XUQMMHYJISXIRT-SNVBAGLBSA-N	-1	0	286.353	0.724	20	30		CCEDRM
CC(C)(CC(=O)[O-])CC(=O)N1CC[C@](O)(CC#N)C1	ZINC001590626529	990316057	/nfs/dbraw/zinc/31/60/57/990316057.db2.gz	XWDSKOIHZHNATB-CYBMUJFWSA-N	-1	0	268.313	0.754	20	30		CCEDRM
CN(C)C[C@@](C)(C#N)NC(=O)[C@H]1CC[C@@H](C(=O)[O-])C1	ZINC001598199710	990810193	/nfs/dbraw/zinc/81/01/93/990810193.db2.gz	PWOJTGNFBVPQCB-OPQQBVKSSA-N	-1	0	267.329	0.447	20	30		CCEDRM
CC(C)[C@H](C#N)OC(=O)Cn1cccc(C(=O)[O-])c1=O	ZINC001590953344	991019178	/nfs/dbraw/zinc/01/91/78/991019178.db2.gz	OYDJXWXQJLGKQG-JTQLQIEISA-N	-1	0	278.264	0.638	20	30		CCEDRM
CC(C)[C@](C)(C#N)NC(=O)Cn1cc(C(=O)[O-])cn1	ZINC001590960983	991055476	/nfs/dbraw/zinc/05/54/76/991055476.db2.gz	KWODENFAMZITGW-LBPRGKRZSA-N	-1	0	264.285	0.636	20	30		CCEDRM
CC(C)[C@](C)(C#N)NC(=O)CN1CCOC[C@H]1CC(=O)[O-]	ZINC001590961163	991056526	/nfs/dbraw/zinc/05/65/26/991056526.db2.gz	MTORSKPVSKVHAB-RISCZKNCSA-N	-1	0	297.355	0.216	20	30		CCEDRM
CN(C1(C#N)CCC1)S(=O)(=O)c1cnn(CC(=O)[O-])c1	ZINC001598364262	991504992	/nfs/dbraw/zinc/50/49/92/991504992.db2.gz	FDDVRLHSZXWDAQ-UHFFFAOYSA-N	-1	0	298.324	0.034	20	30		CCEDRM
CC(C)C[C@@H](C#N)NC(=O)Cn1ccc(C(=O)[O-])n1	ZINC001591117738	991778314	/nfs/dbraw/zinc/77/83/14/991778314.db2.gz	FHBFYATXIBSCJW-VIFPVBQESA-N	-1	0	264.285	0.636	20	30		CCEDRM
CC(C)C[C@@H](OC(=O)[C@H](C)n1cnc(C#N)n1)C(=O)[O-]	ZINC001591188356	991994958	/nfs/dbraw/zinc/99/49/58/991994958.db2.gz	SKYNRSFJKQOMTD-DTWKUNHWSA-N	-1	0	280.284	0.753	20	30		CCEDRM
CN(CCC#N)S(=O)(=O)N[C@H]1CC[C@@H](CC(=O)[O-])C1	ZINC001598469081	991996576	/nfs/dbraw/zinc/99/65/76/991996576.db2.gz	RVTZHXTVRGHALF-ZJUUUORDSA-N	-1	0	289.357	0.310	20	30		CCEDRM
CN(CCCC(=O)[O-])C(=O)CNc1ccc(C#N)cn1	ZINC001598474271	992062765	/nfs/dbraw/zinc/06/27/65/992062765.db2.gz	GOHVZSABFITFCG-UHFFFAOYSA-N	-1	0	276.296	0.688	20	30		CCEDRM
CN(CCOCCC#N)[C@@H](COC1CCC1)C(=O)[O-]	ZINC001598497575	992385244	/nfs/dbraw/zinc/38/52/44/992385244.db2.gz	JAUAXNAGQDRDQP-LBPRGKRZSA-N	-1	0	270.329	0.871	20	30		CCEDRM
CN(C[C@H](O)CC#N)[C@H](COC1CCC1)C(=O)[O-]	ZINC001598503137	992462392	/nfs/dbraw/zinc/46/23/92/992462392.db2.gz	GHYZGHLCCDDMIO-MWLCHTKSSA-N	-1	0	256.302	0.215	20	30		CCEDRM
CN1C[C@@H](C(=O)[O-])N(CCCCC(C)(C)C#N)CC1=O	ZINC001598564392	993125696	/nfs/dbraw/zinc/12/56/96/993125696.db2.gz	TTXVUBYNSUHHDU-NSHDSACASA-N	-1	0	281.356	0.934	20	30		CCEDRM
CN1C[C@H](OC(=O)c2ccc(C#N)s2)C[C@@H]1C(=O)[O-]	ZINC001598575594	993269451	/nfs/dbraw/zinc/26/94/51/993269451.db2.gz	OZDLFOVGXLKOEX-VXNVDRBHSA-N	-1	0	280.305	0.934	20	30		CCEDRM
CN1C[C@H](OC(=O)c2ccc(C#N)s2)C[C@H]1C(=O)[O-]	ZINC001598575581	993269943	/nfs/dbraw/zinc/26/99/43/993269943.db2.gz	OZDLFOVGXLKOEX-APPZFPTMSA-N	-1	0	280.305	0.934	20	30		CCEDRM
C[C@H](N[C@@H]1CCCN(O)C1=O)c1ncc(C(=O)[O-])s1	ZINC001593225107	994344754	/nfs/dbraw/zinc/34/47/54/994344754.db2.gz	SGHXVZDNKVELMC-NKWVEPMBSA-N	-1	0	285.325	0.872	20	30		CCEDRM
COC(=O)[C@H](CCC(=O)[O-])N1CCO[C@@](C)(C#N)C1	ZINC001598696693	995150793	/nfs/dbraw/zinc/15/07/93/995150793.db2.gz	BSVDVWDDNKUTMW-CABZTGNLSA-N	-1	0	270.285	0.007	20	30		CCEDRM
C[C@H](OC(=O)c1csc(C#N)c1)C(=O)C(=O)[O-]	ZINC001593600096	995751167	/nfs/dbraw/zinc/75/11/67/995751167.db2.gz	VBGGLVMRXOVJPD-YFKPBYRVSA-N	-1	0	253.235	0.819	20	30		CCEDRM
CC1(C#N)CN(S(=O)(=O)c2c[nH]c(C(=O)[O-])c2)C1	ZINC001593742685	996362094	/nfs/dbraw/zinc/36/20/94/996362094.db2.gz	CGKNUSRBLWHDJF-UHFFFAOYSA-N	-1	0	269.282	0.247	20	30		CCEDRM
C[C@@]1(C#N)CCN(C(=O)Cn2cccc(C(=O)[O-])c2=O)C1	ZINC001593743007	996364233	/nfs/dbraw/zinc/36/42/33/996364233.db2.gz	MFWKVJUHKQLCSP-AWEZNQCLSA-N	-1	0	289.291	0.309	20	30		CCEDRM
COC(=O)C[C@@H](C)CC(=O)N(CC#N)CC(=O)[O-]	ZINC001598835884	996484285	/nfs/dbraw/zinc/48/42/85/996484285.db2.gz	NWKQQPULKFLHQG-QMMMGPOBSA-N	-1	0	256.258	0.012	20	30		CCEDRM
COC[C@@H](O)CNc1ccc(C(=O)[O-])nc1C#N	ZINC001599276210	996806922	/nfs/dbraw/zinc/80/69/22/996806922.db2.gz	PWYIJHFUTSLFFS-ZETCQYMHSA-N	-1	0	251.242	0.071	20	30		CCEDRM
COC(=O)NCCCC(=O)N1CCC(C#N)(C(=O)[O-])CC1	ZINC001598882972	996842456	/nfs/dbraw/zinc/84/24/56/996842456.db2.gz	DKZCLNVENAUNIH-UHFFFAOYSA-N	-1	0	297.311	0.340	20	30		CCEDRM
CC1(C)CNC(=O)[C@H]1N[C@@H](C(=O)[O-])c1cccc(C#N)c1	ZINC001593949812	997019816	/nfs/dbraw/zinc/01/98/16/997019816.db2.gz	ZDXGLKBWMPYNDW-VXGBXAGGSA-N	-1	0	287.319	0.798	20	30		CCEDRM
COCC[C@@H](NC(=O)Cc1ccccc1CC#N)C(=O)[O-]	ZINC001599213356	997540745	/nfs/dbraw/zinc/54/07/45/997540745.db2.gz	UQRDJQZNHXDNNG-CYBMUJFWSA-N	-1	0	290.319	0.901	20	30		CCEDRM
CON=CC(=O)Nc1nnc(CCCC(=O)[O-])s1	ZINC001599320535	997573548	/nfs/dbraw/zinc/57/35/48/997573548.db2.gz	JPHHZMUHMZWUID-UHFFFAOYSA-N	-1	0	272.286	0.516	20	30		CCEDRM
COC(=O)c1cc(C)c(C(=O)N(CC#N)CCC(=O)[O-])o1	ZINC001598927996	997686579	/nfs/dbraw/zinc/68/65/79/997686579.db2.gz	TWPDCBHBJSGGCL-UHFFFAOYSA-N	-1	0	294.263	0.815	20	30		CCEDRM
COCCN(C)N=C1CCCn2nc(C(=O)[O-])cc21	ZINC001599232442	997886467	/nfs/dbraw/zinc/88/64/67/997886467.db2.gz	QEOFSZHENXEUOH-UHFFFAOYSA-N	-1	0	266.301	0.657	20	30		CCEDRM
CO[C@H]1CN(C(=O)c2ccc(C#N)nc2)[C@](C)(C(=O)[O-])C1	ZINC001599130702	997936555	/nfs/dbraw/zinc/93/65/55/997936555.db2.gz	PYIOMVUISQSMER-RISCZKNCSA-N	-1	0	289.291	0.657	20	30		CCEDRM
COC[C@H](C#N)OC(=O)c1cccc(C(=O)[O-])n1	ZINC001599143809	998177402	/nfs/dbraw/zinc/17/74/02/998177402.db2.gz	GSACULMEZFDXIP-ZETCQYMHSA-N	-1	0	250.210	0.475	20	30		CCEDRM
COC[C@@H](C#N)OC(=O)c1cnccc1C(=O)[O-]	ZINC001599143798	998177206	/nfs/dbraw/zinc/17/72/06/998177206.db2.gz	GELZBBFLTLKHTL-SSDOTTSWSA-N	-1	0	250.210	0.475	20	30		CCEDRM
COC[C@](C)(NC(=O)c1ccc(C#N)cc1F)C(=O)[O-]	ZINC001599152132	998312139	/nfs/dbraw/zinc/31/21/39/998312139.db2.gz	DJCQKAIAGNZMLX-ZDUSSCGKSA-N	-1	0	280.255	0.917	20	30		CCEDRM
COC[C@@](C)(NC(=O)c1ccc(C#N)c(OC)c1)C(=O)[O-]	ZINC001599152868	998320634	/nfs/dbraw/zinc/32/06/34/998320634.db2.gz	ZHTRUXVNHOVYHW-CQSZACIVSA-N	-1	0	292.291	0.786	20	30		CCEDRM
COC[C@@H](C)NN=Cc1cc(C(=O)[O-])c(C)n1C	ZINC001599159451	998430944	/nfs/dbraw/zinc/43/09/44/998430944.db2.gz	JTSKNQIHQNZTTC-MRVPVSSYSA-N	-1	0	253.302	0.990	20	30		CCEDRM
C[C@@H]1[C@H](C(=O)[O-])CCN1C(=O)CNc1ccc(C#N)cn1	ZINC001594147701	998499234	/nfs/dbraw/zinc/49/92/34/998499234.db2.gz	UXVMMELBAOFZHJ-MWLCHTKSSA-N	-1	0	288.307	0.687	20	30		CCEDRM
C[C@@H]1CN(C(=O)C23CC(C(=O)[O-])(C2)C3)C[C@H](C)N1CC#N	ZINC001594463238	999677965	/nfs/dbraw/zinc/67/79/65/999677965.db2.gz	UHXHCHCGBAMEOW-MPLXBHQASA-N	-1	0	291.351	0.686	20	30		CCEDRM
N#CC1(NC(=O)c2cc(=O)[nH]cn2)CCSCC1	ZINC000599712991	361794603	/nfs/dbraw/zinc/79/46/03/361794603.db2.gz	FGHRVARJOBZILB-UHFFFAOYSA-N	-1	0	264.310	0.701	20	30		CCEDRM
C=CCN(C(=O)c1cnc([O-])n(C)c1=O)[C@@H](C)COC	ZINC000617580151	365685394	/nfs/dbraw/zinc/68/53/94/365685394.db2.gz	RCULWDUKJPCBLA-VIFPVBQESA-N	-1	0	281.312	0.149	20	30		CCEDRM
Cc1ccc(S(=O)(=O)[N-]c2n[nH]cc2C#N)cn1	ZINC000337740150	214241465	/nfs/dbraw/zinc/24/14/65/214241465.db2.gz	ASFVHBVHIIAJNS-UHFFFAOYSA-N	-1	0	263.282	0.786	20	30		CCEDRM
CCC[C@@H](C#N)[N-]S(=O)(=O)c1nn(C)cc1[N+](=O)[O-]	ZINC000600667389	362028097	/nfs/dbraw/zinc/02/80/97/362028097.db2.gz	BXLOBWFORHTDKC-ZETCQYMHSA-N	-1	0	287.301	0.299	20	30		CCEDRM
Cc1cc(F)cc(C#N)c1S(=O)(=O)N1CC[C@H]1C(=O)[O-]	ZINC000600891557	362089571	/nfs/dbraw/zinc/08/95/71/362089571.db2.gz	TYFIZLIIGZRTIV-JTQLQIEISA-N	-1	0	298.295	0.853	20	30		CCEDRM
CN(CCC(=O)[O-])C(=O)CNc1cccc(C#N)c1	ZINC000428076713	529872703	/nfs/dbraw/zinc/87/27/03/529872703.db2.gz	NBUUIJYSBAEFQD-UHFFFAOYSA-N	-1	0	261.281	0.903	20	30		CCEDRM
C=C(C)C[C@H](NC(=O)c1cc(=O)n(C)[n-]1)C(=O)OC	ZINC000601783988	362390638	/nfs/dbraw/zinc/39/06/38/362390638.db2.gz	FVJBLOWRYYLQAU-VIFPVBQESA-N	-1	0	267.285	0.363	20	30		CCEDRM
C[C@@H]1CCCN(C(=O)CCn2cc(C#N)c(=O)[n-]c2=O)C1	ZINC000602028105	362464327	/nfs/dbraw/zinc/46/43/27/362464327.db2.gz	ZASWTAWDAMIXAQ-SNVBAGLBSA-N	-1	0	290.323	0.469	20	30		CCEDRM
CC1CCN(C(=O)Cn2cc(C#N)c(=O)[n-]c2=O)CC1	ZINC000602032450	362465520	/nfs/dbraw/zinc/46/55/20/362465520.db2.gz	WWDLIPPBQJGTMV-UHFFFAOYSA-N	-1	0	276.296	0.079	20	30		CCEDRM
CC[C@@H]1CCCN(C(=O)Cn2cc(C#N)c(=O)[n-]c2=O)C1	ZINC000602058624	362469931	/nfs/dbraw/zinc/46/99/31/362469931.db2.gz	JWRHMEADBJZKAU-SNVBAGLBSA-N	-1	0	290.323	0.469	20	30		CCEDRM
CN(C(=O)CCn1cc(C#N)c(=O)[n-]c1=O)C1CCC1	ZINC000602108986	362493207	/nfs/dbraw/zinc/49/32/07/362493207.db2.gz	LVJHCJMCTKVVLO-UHFFFAOYSA-N	-1	0	276.296	0.222	20	30		CCEDRM
CC[C@H](C)N(C)C(=O)Cn1cc(C#N)c(=O)[n-]c1=O	ZINC000602088222	362479259	/nfs/dbraw/zinc/47/92/59/362479259.db2.gz	IJGCSGNVGGYXCV-QMMMGPOBSA-N	-1	0	264.285	0.077	20	30		CCEDRM
C[C@@H]1CN(C(=O)Cn2cc(C#N)c(=O)[n-]c2=O)[C@@H](C)[C@H]1C	ZINC000602165290	362536843	/nfs/dbraw/zinc/53/68/43/362536843.db2.gz	QZBREWZMWCZTNI-UTLUCORTSA-N	-1	0	290.323	0.323	20	30		CCEDRM
CCn1cc(S(=O)(=O)[N-]c2ncccc2C#N)cn1	ZINC000361847967	232261794	/nfs/dbraw/zinc/26/17/94/232261794.db2.gz	GIBWFSWDTZRTEO-UHFFFAOYSA-N	-1	0	277.309	0.970	20	30		CCEDRM
N#Cc1cc(S(=O)(=O)NCCC(=O)[O-])ccc1F	ZINC000071238220	136779097	/nfs/dbraw/zinc/77/90/97/136779097.db2.gz	BYYFPLJOGIWKDQ-UHFFFAOYSA-N	-1	0	272.257	0.450	20	30		CCEDRM
C[C@@H](CC(=O)[O-])NS(=O)(=O)c1ccc(C#N)nc1	ZINC000127102010	136831049	/nfs/dbraw/zinc/83/10/49/136831049.db2.gz	RBIVAZSXANDNPW-ZETCQYMHSA-N	-1	0	269.282	0.095	20	30		CCEDRM
Cn1nccc1[N-]S(=O)(=O)c1ccc(C#N)o1	ZINC000260076739	137006610	/nfs/dbraw/zinc/00/66/10/137006610.db2.gz	KQVKCFDHUNQQHB-UHFFFAOYSA-N	-1	0	252.255	0.686	20	30		CCEDRM
N#Cc1cc(F)ccc1CS(=O)(=O)NCCC(=O)[O-]	ZINC000263550895	137068254	/nfs/dbraw/zinc/06/82/54/137068254.db2.gz	KUHNRXRJVSSBFO-UHFFFAOYSA-N	-1	0	286.284	0.591	20	30		CCEDRM
Cc1noc(C[N-]S(=O)(=O)c2ccc(C#N)o2)n1	ZINC000344761103	137211883	/nfs/dbraw/zinc/21/18/83/137211883.db2.gz	OZRRMXYDZDPNKZ-UHFFFAOYSA-N	-1	0	268.254	0.321	20	30		CCEDRM
C[C@@H](O)[C@@H](NC(=O)Nc1cccc(C#N)c1)C(=O)[O-]	ZINC000037010008	348178848	/nfs/dbraw/zinc/17/88/48/348178848.db2.gz	GMYNTJBPYUKBKI-GMSGAONNSA-N	-1	0	263.253	0.514	20	30		CCEDRM
C[C@H](CC(=O)[O-])NS(=O)(=O)c1cccc(C#N)c1	ZINC000036967138	348175796	/nfs/dbraw/zinc/17/57/96/348175796.db2.gz	RAWSYRROKMRBDJ-MRVPVSSYSA-N	-1	0	268.294	0.700	20	30		CCEDRM
C[C@H]1CN(C(=O)N=c2cccn[n-]2)C[C@H](C)N1CC#N	ZINC000602883918	362862732	/nfs/dbraw/zinc/86/27/32/362862732.db2.gz	SDHJPCYEKFBUOK-QWRGUYRKSA-N	-1	0	274.328	0.349	20	30		CCEDRM
C[C@H](O)CN(CC(F)F)C(=O)N=c1[n-]n(C)cc1C#N	ZINC000602884108	362862802	/nfs/dbraw/zinc/86/28/02/362862802.db2.gz	ZRBUIJDMEXQUHC-ZETCQYMHSA-N	-1	0	287.270	0.193	20	30		CCEDRM
Cn1cc(C#N)c(=NC(=O)NCCC[C@H]2CCOC2)[n-]1	ZINC000602883672	362862946	/nfs/dbraw/zinc/86/29/46/362862946.db2.gz	WYKIGJMKAUERAN-JTQLQIEISA-N	-1	0	277.328	0.652	20	30		CCEDRM
C[C@@H](O)CN(CC(F)F)C(=O)N=c1[n-]n(C)cc1C#N	ZINC000602884099	362863566	/nfs/dbraw/zinc/86/35/66/362863566.db2.gz	ZRBUIJDMEXQUHC-SSDOTTSWSA-N	-1	0	287.270	0.193	20	30		CCEDRM
COCCC1CCN(C(=O)N=c2[n-]n(C)cc2C#N)CC1	ZINC000602889700	362867382	/nfs/dbraw/zinc/86/73/82/362867382.db2.gz	ZPOPBUIELBUMOJ-UHFFFAOYSA-N	-1	0	291.355	0.994	20	30		CCEDRM
CS(=O)(=O)[N-]C(=O)c1ccc2c(c1)CCC(=O)N2	ZINC000042279486	348273175	/nfs/dbraw/zinc/27/31/75/348273175.db2.gz	VIGMLNGDXQFSPW-UHFFFAOYSA-N	-1	0	268.294	0.836	20	30		CCEDRM
Cn1cc(C#N)c(=NC(=O)c2ccc3nnn(C)c3c2)[n-]1	ZINC000347557881	137342828	/nfs/dbraw/zinc/34/28/28/137342828.db2.gz	HIKDMLYRPGBVIF-UHFFFAOYSA-N	-1	0	281.279	0.248	20	30		CCEDRM
N#Cc1cccc(CS(=O)(=O)N[C@@H](C(=O)[O-])C2CC2)c1	ZINC000054504992	348558632	/nfs/dbraw/zinc/55/86/32/348558632.db2.gz	NIANVKXRZAEWEJ-GFCCVEGCSA-N	-1	0	294.332	0.841	20	30		CCEDRM
N#Cc1ccc(CS(=O)(=O)N2CC(C(=O)[O-])C2)cc1	ZINC000071173263	348905086	/nfs/dbraw/zinc/90/50/86/348905086.db2.gz	WCINQRQHAODCIY-UHFFFAOYSA-N	-1	0	280.305	0.404	20	30		CCEDRM
C[C@@H](NC(=O)c1n[nH]c(=O)[n-]1)c1cccc(C#N)c1	ZINC000075504594	349035415	/nfs/dbraw/zinc/03/54/15/349035415.db2.gz	ZRXIGYTXRUXYOF-SSDOTTSWSA-N	-1	0	257.253	0.461	20	30		CCEDRM
C=CCSCCNC(=O)N=c1ccc(C(=O)NC)n[n-]1	ZINC000603052644	362946927	/nfs/dbraw/zinc/94/69/27/362946927.db2.gz	KPYMGXJGEKMOTJ-UHFFFAOYSA-N	-1	0	295.368	0.299	20	30		CCEDRM
C=CCCCN(C)S(=O)(=O)N1CCC(C(=O)[O-])CC1	ZINC000135971400	350410684	/nfs/dbraw/zinc/41/06/84/350410684.db2.gz	MFMIXGBFJUHFPE-UHFFFAOYSA-N	-1	0	290.385	0.926	20	30		CCEDRM
Cc1c([N-]S(=O)(=O)c2ccc(C#N)nc2)cnn1C	ZINC000176975975	351190545	/nfs/dbraw/zinc/19/05/45/351190545.db2.gz	UFIKUKRMMVWYMM-UHFFFAOYSA-N	-1	0	277.309	0.796	20	30		CCEDRM
C[NH+](C)C[C@H]1CN(C(=O)c2ccc(C#N)c(O)c2)CCO1	ZINC000188514422	351602851	/nfs/dbraw/zinc/60/28/51/351602851.db2.gz	FNSZAJAUPDPKTI-ZDUSSCGKSA-N	-1	0	289.335	0.666	20	30		CCEDRM
C=CCOCCCNC(=O)c1c[n-]n2c1nccc2=O	ZINC000618525943	366037943	/nfs/dbraw/zinc/03/79/43/366037943.db2.gz	OECQQONWJRSXFO-UHFFFAOYSA-N	-1	0	276.296	0.345	20	30		CCEDRM
C[C@@H](CNc1nccc(C#N)c1[N+](=O)[O-])C(=O)[O-]	ZINC000214600657	351932979	/nfs/dbraw/zinc/93/29/79/351932979.db2.gz	OJJUYQVWMVYEJM-LURJTMIESA-N	-1	0	250.214	0.994	20	30		CCEDRM
C=CCCOCCNS(=O)(=O)c1ccc(C(=O)[O-])o1	ZINC000231791820	352134340	/nfs/dbraw/zinc/13/43/40/352134340.db2.gz	NGILDXRVEGUPME-UHFFFAOYSA-N	-1	0	289.309	0.849	20	30		CCEDRM
N#Cc1ccc(S(=O)(=O)NCC2(C(=O)[O-])CC2)cn1	ZINC000228698810	352080693	/nfs/dbraw/zinc/08/06/93/352080693.db2.gz	GFXBIVJZVICCFR-UHFFFAOYSA-N	-1	0	281.293	0.096	20	30		CCEDRM
N#Cc1ccc(S(=O)(=O)N2CC[C@@H](C(=O)[O-])C2)s1	ZINC000230324613	352112089	/nfs/dbraw/zinc/11/20/89/352112089.db2.gz	JKYDABWWZTXYEW-SSDOTTSWSA-N	-1	0	286.334	0.715	20	30		CCEDRM
C[C@@]1(CNS(=O)(=O)c2cccnc2C#N)CCCO1	ZINC000235459949	352184435	/nfs/dbraw/zinc/18/44/35/352184435.db2.gz	IPYYGCOPDIJOSX-LBPRGKRZSA-N	-1	0	281.337	0.801	20	30		CCEDRM
Cc1nc(C[N-]S(=O)(=O)c2cccnc2C#N)no1	ZINC000235939580	352190363	/nfs/dbraw/zinc/19/03/63/352190363.db2.gz	KVVDCNSLPCFALS-UHFFFAOYSA-N	-1	0	279.281	0.123	20	30		CCEDRM
N#Cc1ccc(S(=O)(=O)N2CCCC[C@@H]2C(=O)[O-])o1	ZINC000262244584	303196618	/nfs/dbraw/zinc/19/66/18/303196618.db2.gz	AWKIGTDYXSFHTM-SECBINFHSA-N	-1	0	284.293	0.779	20	30		CCEDRM
C#CC[C@@H](NS(=O)(=O)c1ccc(OC)cc1)C(=O)[O-]	ZINC000140509064	187907484	/nfs/dbraw/zinc/90/74/84/187907484.db2.gz	RCSROHLOJCTQAD-LLVKDONJSA-N	-1	0	283.305	0.450	20	30		CCEDRM
CC(C)(C)S(=O)(=O)C=C([O-])n1ncc(C#N)c1N	ZINC000154624030	188154058	/nfs/dbraw/zinc/15/40/58/188154058.db2.gz	ZLOXVQNZKAIBDQ-UHFFFAOYSA-N	-1	0	270.314	0.190	20	30		CCEDRM
CC[C@@H](C(=O)Nc1nc(C#N)c(C#N)[n-]1)C(=O)OC	ZINC000282934593	353464966	/nfs/dbraw/zinc/46/49/66/353464966.db2.gz	MCUNYPCJEYBNTR-LURJTMIESA-N	-1	0	261.241	0.291	20	30		CCEDRM
N#Cc1ccc(S(=O)(=O)N[C@@H](CC2CC2)C(=O)[O-])o1	ZINC000287430088	353646402	/nfs/dbraw/zinc/64/64/02/353646402.db2.gz	GSVDVAFCEXXPCZ-VIFPVBQESA-N	-1	0	284.293	0.683	20	30		CCEDRM
N#Cc1ccc2c(c1)CC[C@H]2NC(=O)c1n[nH]c(=O)[n-]1	ZINC000618900930	366114409	/nfs/dbraw/zinc/11/44/09/366114409.db2.gz	UGFLIZWCUXDUKU-SNVBAGLBSA-N	-1	0	269.264	0.799	20	30		CCEDRM
Cn1nccc1[N-]S(=O)(=O)c1cncc(C#N)c1	ZINC000336792648	355165784	/nfs/dbraw/zinc/16/57/84/355165784.db2.gz	SXDIKDOZRHZUJB-UHFFFAOYSA-N	-1	0	263.282	0.488	20	30		CCEDRM
N#Cc1ccc(S(=O)(=O)N[C@H](C(=O)[O-])C2CCC2)o1	ZINC000558475686	291057437	/nfs/dbraw/zinc/05/74/37/291057437.db2.gz	UTNQVZPDXVMIHW-JTQLQIEISA-N	-1	0	284.293	0.683	20	30		CCEDRM
N#Cc1ccc(S(=O)(=O)N[C@H]2C=C[C@@H](C(=O)[O-])C2)o1	ZINC000558473387	291057687	/nfs/dbraw/zinc/05/76/87/291057687.db2.gz	PQPULWAFKOPCDK-SFYZADRCSA-N	-1	0	282.277	0.459	20	30		CCEDRM
Cn1cc(C#N)c([N-]S(=O)(=O)c2cncc(C#N)c2)n1	ZINC000336836480	355208386	/nfs/dbraw/zinc/20/83/86/355208386.db2.gz	KXABBHOUOIBQBV-UHFFFAOYSA-N	-1	0	288.292	0.359	20	30		CCEDRM
CCCc1nc(=NC(=O)[C@H](C)n2cnc(C#N)n2)s[n-]1	ZINC000336933214	355229491	/nfs/dbraw/zinc/22/94/91/355229491.db2.gz	BTBZDVCWRHBPJZ-ZETCQYMHSA-N	-1	0	291.340	0.575	20	30		CCEDRM
CCn1ncc(C#N)c1[N-]S(=O)(=O)CCOCC1CC1	ZINC000424215342	235181581	/nfs/dbraw/zinc/18/15/81/235181581.db2.gz	ZWQXAVSTPWNJAY-UHFFFAOYSA-N	-1	0	298.368	0.943	20	30		CCEDRM
CC(C)CS(=O)(=O)CC(=O)Nc1nc(C#N)c(C#N)[n-]1	ZINC000339078300	355483976	/nfs/dbraw/zinc/48/39/76/355483976.db2.gz	QEOMILDZCMCPEC-UHFFFAOYSA-N	-1	0	295.324	0.162	20	30		CCEDRM
N#Cc1nc(NC(=O)Cc2cccnc2)[n-]c1C#N	ZINC000348754203	355972328	/nfs/dbraw/zinc/97/23/28/355972328.db2.gz	JZIXFOCVXQPJHH-UHFFFAOYSA-N	-1	0	252.237	0.729	20	30		CCEDRM
C[C@H](CN(C)C(=O)c1cccc(C#N)c1)c1nnn[n-]1	ZINC000273596985	192224081	/nfs/dbraw/zinc/22/40/81/192224081.db2.gz	WQCISIVIHBUGJO-SECBINFHSA-N	-1	0	270.296	0.947	20	30		CCEDRM
N#Cc1cccc(C2(C(=O)NCc3n[n-]c(=N)o3)CC2)c1	ZINC000354831114	356508420	/nfs/dbraw/zinc/50/84/20/356508420.db2.gz	AMGCFTIKLSHSLR-UHFFFAOYSA-N	-1	0	283.291	0.702	20	30		CCEDRM
COC(=O)c1ccc(=NC(=O)N(C)C[C@@H](C)C#N)[n-]n1	ZINC000619635807	366307253	/nfs/dbraw/zinc/30/72/53/366307253.db2.gz	CQHPUDMIBQQJIY-QMMMGPOBSA-N	-1	0	277.284	0.308	20	30		CCEDRM
N#Cc1ccc(N2CCC[C@H]2C(=O)NCc2nnn[n-]2)cc1	ZINC000609531896	363502776	/nfs/dbraw/zinc/50/27/76/363502776.db2.gz	ANHAXZFAIZIYHV-LBPRGKRZSA-N	-1	0	297.322	0.357	20	30		CCEDRM
Cc1nc(C(=O)N=c2[nH][n-]c(C3CC3)c2C#N)c(=O)[nH]c1C	ZINC000359720772	356879249	/nfs/dbraw/zinc/87/92/49/356879249.db2.gz	WYEIKMKTPZSCGX-UHFFFAOYSA-N	-1	0	298.306	0.533	20	30		CCEDRM
C[C@@H](CNC(=O)N=c1[n-]n(C)cc1C#N)Cn1cccn1	ZINC000610527960	363572619	/nfs/dbraw/zinc/57/26/19/363572619.db2.gz	CDIKPSVNAGIDAO-JTQLQIEISA-N	-1	0	287.327	0.368	20	30		CCEDRM
Cc1nc(C(C)(C)NC(=O)N=c2[n-]n(C)cc2C#N)no1	ZINC000610562983	363577870	/nfs/dbraw/zinc/57/78/70/363577870.db2.gz	NKDFCDJENHUDRN-UHFFFAOYSA-N	-1	0	289.299	0.462	20	30		CCEDRM
COC[C@H]1CCCN(C(=O)N=c2[n-]n(C)cc2C#N)C1	ZINC000610528264	363574195	/nfs/dbraw/zinc/57/41/95/363574195.db2.gz	ZRRFAZOEUAVNJT-JTQLQIEISA-N	-1	0	277.328	0.604	20	30		CCEDRM
Cn1cc(C#N)c(=NC(=O)N[C@H]2COc3ccccc3C2)[n-]1	ZINC000610561528	363575961	/nfs/dbraw/zinc/57/59/61/363575961.db2.gz	MENRWEWDZMHNMI-GFCCVEGCSA-N	-1	0	297.318	0.839	20	30		CCEDRM
CN(CCn1cccn1)C(=O)N=c1[n-]n(C)cc1C#N	ZINC000610562146	363576727	/nfs/dbraw/zinc/57/67/27/363576727.db2.gz	JKNMAIWPLIFSAQ-UHFFFAOYSA-N	-1	0	273.300	0.074	20	30		CCEDRM
CO[C@H](CNC(=O)N=c1[n-]n(C)cc1C#N)C(C)C	ZINC000610569874	363580278	/nfs/dbraw/zinc/58/02/78/363580278.db2.gz	FGTJHLCBRIZKLE-SNVBAGLBSA-N	-1	0	265.317	0.506	20	30		CCEDRM
C=CCCOCCNC(=O)[C@@H](C)O[C@H](C)C(=O)[O-]	ZINC000421808602	358188193	/nfs/dbraw/zinc/18/81/93/358188193.db2.gz	SDVRAMWRZKIOHU-NXEZZACHSA-N	-1	0	259.302	0.574	20	30		CCEDRM
Cn1cc(C#N)c(=NC(=O)N[C@H]2CCc3c[nH]nc3C2)[n-]1	ZINC000610718292	363604757	/nfs/dbraw/zinc/60/47/57/363604757.db2.gz	KQQLQJJFSRLGOB-JTQLQIEISA-N	-1	0	285.311	0.116	20	30		CCEDRM
C=C[C@@H]1OCC[C@H]1NC(=O)NC[C@H](C(=O)[O-])C(C)C	ZINC000655878342	412674114	/nfs/dbraw/zinc/67/41/14/412674114.db2.gz	DQHXYBFZMKHWDQ-AXFHLTTASA-N	-1	0	270.329	0.986	20	30		CCEDRM
CCn1cc(C#N)c(=O)n(Cc2ccc(C(=O)[O-])cc2)c1=O	ZINC000581033292	359122550	/nfs/dbraw/zinc/12/25/50/359122550.db2.gz	BDIHIBWSXUWNSG-UHFFFAOYSA-N	-1	0	299.286	0.648	20	30		CCEDRM
N#Cc1ccc(Cl)c(C(=O)N=c2cc(C(N)=O)[n-][nH]2)c1	ZINC000586798971	359292280	/nfs/dbraw/zinc/29/22/80/359292280.db2.gz	IKFXTQSMNCCINC-UHFFFAOYSA-N	-1	0	289.682	0.708	20	30		CCEDRM
C[C@@H](O)C[C@H]1CCCN1C(=O)N=c1[n-]n(C)cc1C#N	ZINC000611050231	363654002	/nfs/dbraw/zinc/65/40/02/363654002.db2.gz	QINUCSKBBVVHSV-MWLCHTKSSA-N	-1	0	277.328	0.481	20	30		CCEDRM
Cn1cc(C#N)c(=NC(=O)N=c2cc(C3CC3)n(C)[nH]2)[n-]1	ZINC000589244556	359374049	/nfs/dbraw/zinc/37/40/49/359374049.db2.gz	KVIONHRIGMTABL-UHFFFAOYSA-N	-1	0	285.311	0.390	20	30		CCEDRM
C[C@H]1CSC[C@H]1NC(=O)N=c1[n-]n(C)cc1C#N	ZINC000588258682	359319791	/nfs/dbraw/zinc/31/97/91/359319791.db2.gz	BLAPRMMQTUBDKH-IONNQARKSA-N	-1	0	265.342	0.587	20	30		CCEDRM
CN(Cc1n[n-]c(=O)o1)C(=O)c1ccc(C#N)cc1	ZINC000588849079	359340594	/nfs/dbraw/zinc/34/05/94/359340594.db2.gz	IOWQTZBCLXFJHJ-UHFFFAOYSA-N	-1	0	258.237	0.919	20	30		CCEDRM
N#Cc1ccsc1C(=O)N=c1[n-]nc2nc[nH]n21	ZINC000590377818	359445494	/nfs/dbraw/zinc/44/54/94/359445494.db2.gz	IGSKUDORLULPGI-UHFFFAOYSA-N	-1	0	259.254	0.060	20	30		CCEDRM
C=CCC[C@@H](CO)NC(=O)NC[C@H](C(=O)[O-])C(C)C	ZINC000655897224	412685538	/nfs/dbraw/zinc/68/55/38/412685538.db2.gz	UUXXPWQDLFLDSO-QWRGUYRKSA-N	-1	0	272.345	0.970	20	30		CCEDRM
CO[C@@H]1C[C@@H](NC(=O)N=c2[n-]n(C)cc2C#N)C12CCC2	ZINC000590957441	359542899	/nfs/dbraw/zinc/54/28/99/359542899.db2.gz	JCPGZDMQAXJGPU-GHMZBOCLSA-N	-1	0	289.339	0.793	20	30		CCEDRM
N#Cc1ccc(N2CC[C@@H](n3cc(C(=O)[O-])nn3)C2)cn1	ZINC000591687389	359639573	/nfs/dbraw/zinc/63/95/73/359639573.db2.gz	YZTMHKVYSCRVOQ-LLVKDONJSA-N	-1	0	284.279	0.694	20	30		CCEDRM
N#Cc1cccc(N2CC[C@H](n3cc(C(=O)[O-])nn3)C2)n1	ZINC000591687344	359639629	/nfs/dbraw/zinc/63/96/29/359639629.db2.gz	KAWUKXDDECRYKA-JTQLQIEISA-N	-1	0	284.279	0.694	20	30		CCEDRM
N#CC1(CS(=O)(=O)N[C@H]2CC[C@@H](C(=O)[O-])C2)CCC1	ZINC000592458554	359844210	/nfs/dbraw/zinc/84/42/10/359844210.db2.gz	UWDOZAQNFFSFFB-ZJUUUORDSA-N	-1	0	286.353	0.853	20	30		CCEDRM
N#CCCn1ccc(=NC(=O)N[C@H]2CC[C@@H](C(=O)[O-])C2)[nH]1	ZINC000592465425	359846094	/nfs/dbraw/zinc/84/60/94/359846094.db2.gz	YLZKCRMTDMHBNR-ZJUUUORDSA-N	-1	0	291.311	0.593	20	30		CCEDRM
N#Cc1ccc(S(=O)(=O)[N-]c2cc(C(N)=O)n[nH]2)cc1	ZINC000611164909	363668998	/nfs/dbraw/zinc/66/89/98/363668998.db2.gz	XJLLCELECNQQFS-UHFFFAOYSA-N	-1	0	291.292	0.181	20	30		CCEDRM
CCn1nccc1C(=O)N=c1[n-]n(C)c(C)c1C#N	ZINC000592655836	359910250	/nfs/dbraw/zinc/91/02/50/359910250.db2.gz	YLHMPJYYMFJUPY-UHFFFAOYSA-N	-1	0	258.285	0.491	20	30		CCEDRM
Cc1nc(=NC(=O)N2Cc3cccc(C#N)c3C2)[n-]n1C	ZINC000593218594	360052332	/nfs/dbraw/zinc/05/23/32/360052332.db2.gz	XLONGZAVSGDMLY-UHFFFAOYSA-N	-1	0	282.307	0.965	20	30		CCEDRM
C[C@H](CC#N)N(C)S(=O)(=O)N1[C@@H](C)CC[C@H]1C(=O)[O-]	ZINC000593222738	360052770	/nfs/dbraw/zinc/05/27/70/360052770.db2.gz	UEOSVIQBSWWPIF-UTLUCORTSA-N	-1	0	289.357	0.403	20	30		CCEDRM
N#Cc1sccc1S(=O)(=O)NCCCC(=O)[O-]	ZINC000593250765	360055704	/nfs/dbraw/zinc/05/57/04/360055704.db2.gz	CHXOQPBPPLTUEV-UHFFFAOYSA-N	-1	0	274.323	0.763	20	30		CCEDRM
C[C@@H](C#N)CN(C)S(=O)(=O)NCCCCC(=O)[O-]	ZINC000593254869	360056769	/nfs/dbraw/zinc/05/67/69/360056769.db2.gz	SRVZYQLBYMUXPM-VIFPVBQESA-N	-1	0	277.346	0.167	20	30		CCEDRM
C[C@@H](C#N)CN(C)S(=O)(=O)NC1([C@@H](C)C(=O)[O-])CC1	ZINC000593273915	360059795	/nfs/dbraw/zinc/05/97/95/360059795.db2.gz	OBXRKAGVICJZAZ-IUCAKERBSA-N	-1	0	289.357	0.166	20	30		CCEDRM
CN=c1[n-]nc(CC(=O)NCC2(C#N)CCCC2)s1	ZINC000593774144	360149690	/nfs/dbraw/zinc/14/96/90/360149690.db2.gz	VNLAOVWPVCDNSF-UHFFFAOYSA-N	-1	0	279.369	0.744	20	30		CCEDRM
CCOC(=O)c1cc(=NC(=O)[C@@H](C#N)CC)[nH][n-]1	ZINC000593580613	360116070	/nfs/dbraw/zinc/11/60/70/360116070.db2.gz	GWMCUZJCDFEYDA-SSDOTTSWSA-N	-1	0	250.258	0.497	20	30		CCEDRM
C[C@H](CC#N)N(C)S(=O)(=O)N(CC(=O)[O-])C1CCC1	ZINC000593942913	360220509	/nfs/dbraw/zinc/22/05/09/360220509.db2.gz	ATIFTCHIXDIWCR-SECBINFHSA-N	-1	0	289.357	0.404	20	30		CCEDRM
C[C@H](Cc1ccc(C#N)cc1)C(=O)NCCc1n[n-]c(=N)o1	ZINC000594346285	360278224	/nfs/dbraw/zinc/27/82/24/360278224.db2.gz	XWWMPJLZZJPAJW-SNVBAGLBSA-N	-1	0	299.334	0.891	20	30		CCEDRM
N#Cc1cncc(S(=O)(=O)N[C@@H](CCF)C(=O)[O-])c1	ZINC000594572826	360332823	/nfs/dbraw/zinc/33/28/23/360332823.db2.gz	DBSLPCSVFXJKEV-VIFPVBQESA-N	-1	0	287.272	0.044	20	30		CCEDRM
N#CC1(CS(=O)(=O)N[C@H](CCF)C(=O)[O-])CCCC1	ZINC000594573971	360333189	/nfs/dbraw/zinc/33/31/89/360333189.db2.gz	RQUVOZFDGHBGHE-SECBINFHSA-N	-1	0	292.332	0.803	20	30		CCEDRM
Cc1c(C#N)cccc1NC(=O)C(=O)NC[C@@H](C)C(=O)[O-]	ZINC000594527816	360326195	/nfs/dbraw/zinc/32/61/95/360326195.db2.gz	NQTNNLOAHBKZEO-MRVPVSSYSA-N	-1	0	289.291	0.642	20	30		CCEDRM
CC(C)[C@@H](CNC(=O)N1CC[C@](F)(C#N)C1)C(=O)[O-]	ZINC000594538824	360327111	/nfs/dbraw/zinc/32/71/11/360327111.db2.gz	UZKFSUQPZNDWMB-SKDRFNHKSA-N	-1	0	271.292	0.990	20	30		CCEDRM
CC(C)[C@@H]1CN(C(=O)N=c2[n-]n(C)cc2C#N)CCO1	ZINC000611503745	363728196	/nfs/dbraw/zinc/72/81/96/363728196.db2.gz	BNRUBXKRUCJZAL-NSHDSACASA-N	-1	0	277.328	0.602	20	30		CCEDRM
C[C@H]1CCN(C(=O)N=c2[n-]n(C)cc2C#N)C[C@H]1F	ZINC000611503771	363728490	/nfs/dbraw/zinc/72/84/90/363728490.db2.gz	IVEMQVADRAXALH-WCBMZHEXSA-N	-1	0	265.292	0.925	20	30		CCEDRM
N#Cc1ccc(CCNC(=O)[C@H]2CC[C@@H](C(=O)[O-])O2)cc1	ZINC000594662349	360357228	/nfs/dbraw/zinc/35/72/28/360357228.db2.gz	XJCJRCWIZMSIKU-OLZOCXBDSA-N	-1	0	288.303	0.849	20	30		CCEDRM
N#Cc1sccc1S(=O)(=O)N1CC[C@H](C(=O)[O-])C1	ZINC000594683290	360359674	/nfs/dbraw/zinc/35/96/74/360359674.db2.gz	WPGZOSRSISRBEC-ZETCQYMHSA-N	-1	0	286.334	0.715	20	30		CCEDRM
CC[C@@H](NC(=O)CC1(C#N)CCOCC1)C(=O)[O-]	ZINC000595281587	360477272	/nfs/dbraw/zinc/47/72/72/360477272.db2.gz	NZCYUYXKPORVMD-SECBINFHSA-N	-1	0	254.286	0.676	20	30		CCEDRM
C=CCCn1cc(CN2CCC[C@@]2(COC)C(=O)[O-])nn1	ZINC000655925693	412702564	/nfs/dbraw/zinc/70/25/64/412702564.db2.gz	AFGCEYOZASSTGI-CQSZACIVSA-N	-1	0	294.355	0.920	20	30		CCEDRM
Cc1cc(O[C@H]2CCN(CC(=O)[O-])C2=O)ccc1C#N	ZINC000596011656	360774052	/nfs/dbraw/zinc/77/40/52/360774052.db2.gz	GADLPEUPCGWBHT-LBPRGKRZSA-N	-1	0	274.276	0.931	20	30		CCEDRM
COC(=O)c1ccc(=NC(=O)N2CC[C@](C)(C#N)C2)[n-]n1	ZINC000596889382	360973289	/nfs/dbraw/zinc/97/32/89/360973289.db2.gz	HRMZFJZVTDEYES-CYBMUJFWSA-N	-1	0	289.295	0.453	20	30		CCEDRM
CCN(CC#N)C(=O)c1cc(S(N)(=O)=O)ccc1[O-]	ZINC000596917349	360978350	/nfs/dbraw/zinc/97/83/50/360978350.db2.gz	YTSRWHCVXZRXBE-UHFFFAOYSA-N	-1	0	283.309	0.025	20	30		CCEDRM
N#CC1(CC(=O)NCCc2nc(=O)o[n-]2)CCCCC1	ZINC000597576618	361144433	/nfs/dbraw/zinc/14/44/33/361144433.db2.gz	AVUOREZSZDUHQH-UHFFFAOYSA-N	-1	0	278.312	0.886	20	30		CCEDRM
C[C@H](C#N)N(C(=O)c1cnc([O-])n(C)c1=O)C1CC1	ZINC000598131413	361339442	/nfs/dbraw/zinc/33/94/42/361339442.db2.gz	LAFOUOIQYHURRD-SSDOTTSWSA-N	-1	0	262.269	0.003	20	30		CCEDRM
Cn1cc(C#N)c(=NC(=O)N2CCOCC3(CC3)C2)[n-]1	ZINC000611820796	363789201	/nfs/dbraw/zinc/78/92/01/363789201.db2.gz	LSUULYKPVSHLBW-UHFFFAOYSA-N	-1	0	275.312	0.358	20	30		CCEDRM
CN(Cc1n[n-]c(=O)o1)C(=O)c1cc(C#N)cn1C	ZINC000598743490	361506722	/nfs/dbraw/zinc/50/67/22/361506722.db2.gz	BJQHCTAMGBRFKZ-UHFFFAOYSA-N	-1	0	261.241	0.258	20	30		CCEDRM
CC[C@H](CC#N)[N-]S(=O)(=O)c1cc(C(=O)OC)no1	ZINC000599276969	361627905	/nfs/dbraw/zinc/62/79/05/361627905.db2.gz	CRXQCKBKOITWRP-SSDOTTSWSA-N	-1	0	287.297	0.432	20	30		CCEDRM
C=CCCCN(C)C(=O)C(=O)NC[C@H](C)C(=O)[O-]	ZINC000656005099	412730423	/nfs/dbraw/zinc/73/04/23/412730423.db2.gz	VQJMTYKQKDSIQH-VIFPVBQESA-N	-1	0	256.302	0.248	20	30		CCEDRM
C=CCCCN(C)C(=O)C(=O)NC[C@@H](C)C(=O)[O-]	ZINC000656005098	412730698	/nfs/dbraw/zinc/73/06/98/412730698.db2.gz	VQJMTYKQKDSIQH-SECBINFHSA-N	-1	0	256.302	0.248	20	30		CCEDRM
C=C(C)C[C@@H](NC(C)=O)C(=O)N(C)C[C@@H](C)c1nnn[n-]1	ZINC000613473207	364260006	/nfs/dbraw/zinc/26/00/06/364260006.db2.gz	XYVBZGUGAQFWBI-MWLCHTKSSA-N	-1	0	294.359	0.233	20	30		CCEDRM
C=CCCCN(C)C(=O)C(=O)NC[C@@H](C(=O)[O-])C(C)C	ZINC000656011326	412734008	/nfs/dbraw/zinc/73/40/08/412734008.db2.gz	YPVJSRHBBJDLAH-LLVKDONJSA-N	-1	0	284.356	0.884	20	30		CCEDRM
CC(C)(CNS(=O)(=O)CC1(C#N)CC1)CC(=O)[O-]	ZINC000614352630	364581084	/nfs/dbraw/zinc/58/10/84/364581084.db2.gz	UEWHVOADITXYGP-UHFFFAOYSA-N	-1	0	274.342	0.710	20	30		CCEDRM
CCOCCOCCN(C)C(=O)N=c1[n-]n(C)cc1C#N	ZINC000615842393	365104062	/nfs/dbraw/zinc/10/40/62/365104062.db2.gz	SSJASNDZNHZCSW-UHFFFAOYSA-N	-1	0	295.343	0.230	20	30		CCEDRM
C=C(C)[C@H]1OCC[C@@H]1CNC(=O)N(C)CC(=O)[O-]	ZINC000621834782	366883133	/nfs/dbraw/zinc/88/31/33/366883133.db2.gz	WNFLSYABENZADO-MWLCHTKSSA-N	-1	0	256.302	0.694	20	30		CCEDRM
CO[C@H](CC(C)C)Cn1c(=O)[n-]cc(C#N)c1=O	ZINC000566219326	291378334	/nfs/dbraw/zinc/37/83/34/291378334.db2.gz	HWPUJLMAZHWRDN-SNVBAGLBSA-N	-1	0	251.286	0.469	20	30		CCEDRM
C=C(C)CS(=O)(=O)N[C@@H](C[C@H](OC)C1CC1)C(=O)[O-]	ZINC000656166222	412756375	/nfs/dbraw/zinc/75/63/75/412756375.db2.gz	FTOHEFQSFDPMEY-QWRGUYRKSA-N	-1	0	291.369	0.750	20	30		CCEDRM
C=C(C)CS(=O)(=O)NCc1nocc1C(=O)[O-]	ZINC000656165290	412756943	/nfs/dbraw/zinc/75/69/43/412756943.db2.gz	PSXYWONDCNKLDX-UHFFFAOYSA-N	-1	0	260.271	0.368	20	30		CCEDRM
C=CCOCCCNC(=O)c1cc(C(=O)[O-])nn1C	ZINC000630207841	370008667	/nfs/dbraw/zinc/00/86/67/370008667.db2.gz	ODDCYELSGHLIQS-UHFFFAOYSA-N	-1	0	267.285	0.441	20	30		CCEDRM
C=C(C)C[C@@H](NC(=O)CNC(=O)C(C)(C)C)C(=O)[O-]	ZINC000630319043	370045948	/nfs/dbraw/zinc/04/59/48/370045948.db2.gz	QYAASCWSCONCLK-SECBINFHSA-N	-1	0	270.329	0.684	20	30		CCEDRM
C=C(C)C[C@H](NC(=O)CCc1cn(C)nn1)C(=O)[O-]	ZINC000630322073	370046903	/nfs/dbraw/zinc/04/69/03/370046903.db2.gz	PALOWZXUWOXPMV-JTQLQIEISA-N	-1	0	266.301	0.283	20	30		CCEDRM
C=C(C)C[C@@H](NC(=O)CCc1ccncn1)C(=O)[O-]	ZINC000630320906	370046940	/nfs/dbraw/zinc/04/69/40/370046940.db2.gz	CLWLMMRVNGIHKE-LLVKDONJSA-N	-1	0	263.297	0.945	20	30		CCEDRM
C=CCCOCC(=O)N[C@@H](C[C@@H]1CCCOC1)C(=O)[O-]	ZINC000630275417	370032233	/nfs/dbraw/zinc/03/22/33/370032233.db2.gz	VLUFFSVMSAHDTD-RYUDHWBXSA-N	-1	0	285.340	0.965	20	30		CCEDRM
C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)[C@@H]1C[C@@H]1C(=O)[O-]	ZINC000630302968	370037740	/nfs/dbraw/zinc/03/77/40/370037740.db2.gz	NDZKZBLLIOKUEW-ZNSHCXBVSA-N	-1	0	253.298	0.805	20	30		CCEDRM
C=C(C)COCCNC(=O)[C@H]1C[C@@H](C)[C@H](C(=O)[O-])O1	ZINC000630166362	369983106	/nfs/dbraw/zinc/98/31/06/369983106.db2.gz	DGNWPXXZXCDXRH-GMTAPVOTSA-N	-1	0	271.313	0.574	20	30		CCEDRM
C=C(C)C[C@@H](NS(=O)(=O)C[C@H](C)COCC)C(=O)[O-]	ZINC000630438253	370116298	/nfs/dbraw/zinc/11/62/98/370116298.db2.gz	NTYOUUHBIOKSPN-GHMZBOCLSA-N	-1	0	293.385	0.998	20	30		CCEDRM
C=C(C)C[C@@H](NS(=O)(=O)[C@@H]1COC(C)(C)C1)C(=O)[O-]	ZINC000630438619	370117205	/nfs/dbraw/zinc/11/72/05/370117205.db2.gz	UCMSDQBXMNFSKQ-VHSXEESVSA-N	-1	0	291.369	0.893	20	30		CCEDRM
C=C(C)C[C@@H](NC(=O)N[C@@H]1CCCOC1)C(=O)[O-]	ZINC000630475077	370129014	/nfs/dbraw/zinc/12/90/14/370129014.db2.gz	DCCVEHIWHQIRFJ-NXEZZACHSA-N	-1	0	256.302	0.884	20	30		CCEDRM
C=C(C)C[C@@H](NC(=O)N[C@H]1CCCOC1)C(=O)[O-]	ZINC000630475079	370129343	/nfs/dbraw/zinc/12/93/43/370129343.db2.gz	DCCVEHIWHQIRFJ-VHSXEESVSA-N	-1	0	256.302	0.884	20	30		CCEDRM
C=C(C)C[C@H](NC(=O)NCCOCC(F)F)C(=O)[O-]	ZINC000630482214	370129955	/nfs/dbraw/zinc/12/99/55/370129955.db2.gz	XWYYLOGRWBXNAW-QMMMGPOBSA-N	-1	0	280.271	0.987	20	30		CCEDRM
C=CCOC[C@@H](NC(=O)NC[C@H]1C[C@@H](OC)C1)C(=O)[O-]	ZINC000630492388	370133838	/nfs/dbraw/zinc/13/38/38/370133838.db2.gz	PSJVIKAEOROBBD-OUAUKWLOSA-N	-1	0	286.328	0.366	20	30		CCEDRM
C=C[C@@H]1OCC[C@H]1CNS(=O)(=O)c1ncc[n-]1	ZINC000632482150	371097410	/nfs/dbraw/zinc/09/74/10/371097410.db2.gz	UAOOVRLFYQBRHZ-IUCAKERBSA-N	-1	0	257.315	0.279	20	30		CCEDRM
CCn1cc([N-]S(=O)(=O)c2cncc(C#N)c2)cn1	ZINC000336814221	213687237	/nfs/dbraw/zinc/68/72/37/213687237.db2.gz	FBVIGHHBBOQTDE-UHFFFAOYSA-N	-1	0	277.309	0.970	20	30		CCEDRM
C=C(C)C[C@H](NS(=O)(=O)C[C@@H](C)OC)C(=O)[O-]	ZINC000634654802	372127407	/nfs/dbraw/zinc/12/74/07/372127407.db2.gz	VMWRZDCWEXKAJF-BDAKNGLRSA-N	-1	0	265.331	0.360	20	30		CCEDRM
C=CCC1(C(=O)NCCc2nc(=O)o[n-]2)CCC1	ZINC000574634132	335035508	/nfs/dbraw/zinc/03/55/08/335035508.db2.gz	IMYIUXXWJWMNKU-UHFFFAOYSA-N	-1	0	251.286	0.768	20	30		CCEDRM
CN(C(=O)Cn1c(=O)[n-]cc(C#N)c1=O)C1CCCCC1	ZINC000517741600	249228632	/nfs/dbraw/zinc/22/86/32/249228632.db2.gz	UGFGDIAXGUZTGQ-UHFFFAOYSA-N	-1	0	290.323	0.199	20	30		CCEDRM
CC(C)(O)CO[N-]C(=O)COc1ccc(C#N)cc1	ZINC000288191763	197023533	/nfs/dbraw/zinc/02/35/33/197023533.db2.gz	RXSCBPLRAMFSQM-UHFFFAOYSA-N	-1	0	264.281	0.756	20	30		CCEDRM
C#CCCCCNC(=O)c1ccc(S(=O)(=O)NC)nc1	ZINC000184967523	388780634	/nfs/dbraw/zinc/78/06/34/388780634.db2.gz	LMSXALHMBXUKRV-UHFFFAOYSA-N	-1	0	295.364	0.523	20	30		CCEDRM
C=CC[C@@H](CO)NC(=O)c1ccc([N+](=O)[O-])cc1[O-]	ZINC000187364480	388878959	/nfs/dbraw/zinc/87/89/59/388878959.db2.gz	YJVGNHYKWMJQME-QMMMGPOBSA-N	-1	0	266.253	0.967	20	30		CCEDRM
N#Cc1ccc(C(=O)N2CCNC(=O)CC2)cc1O	ZINC000188440632	388928135	/nfs/dbraw/zinc/92/81/35/388928135.db2.gz	UDUPUSJCJYYTFD-UHFFFAOYSA-N	-1	0	259.265	0.226	20	30		CCEDRM
C#CC[N@H+](C)CCCNC(=O)c1ccc([N+](=O)[O-])cc1[O-]	ZINC000294100471	388991131	/nfs/dbraw/zinc/99/11/31/388991131.db2.gz	YFJUPRBAHLNOQN-UHFFFAOYSA-N	-1	0	291.307	0.985	20	30		CCEDRM
C#CCN(CC#C)CC(=O)[N-]OCc1ccccc1	ZINC000093177859	389035564	/nfs/dbraw/zinc/03/55/64/389035564.db2.gz	MLVZVOCNXUWSPF-UHFFFAOYSA-N	-1	0	256.305	0.803	20	30		CCEDRM
C[C@H](NS(=O)(=O)c1ccc(Cl)cc1C#N)C(=O)[O-]	ZINC000340455009	389159820	/nfs/dbraw/zinc/15/98/20/389159820.db2.gz	OOOMSQISXWTKCA-LURJTMIESA-N	-1	0	288.712	0.963	20	30		CCEDRM
CC#CCNC(=O)NCc1nc(C(F)(F)F)n[nH]1	ZINC000359141905	389167675	/nfs/dbraw/zinc/16/76/75/389167675.db2.gz	JDXCFJVBDGVIRA-UHFFFAOYSA-N	-1	0	261.207	0.646	20	30		CCEDRM
CCCCc1n[n-]c(=NC(=O)N[C@@H]2CCCNC2=O)s1	ZINC000330420813	389227700	/nfs/dbraw/zinc/22/77/00/389227700.db2.gz	FNEHKQPSBGRJBI-MRVPVSSYSA-N	-1	0	297.384	0.907	20	30		CCEDRM
C=C[C@H](C)NC(=O)N=c1nc2nc(C)cc(C)n2[n-]1	ZINC000362495003	389237283	/nfs/dbraw/zinc/23/72/83/389237283.db2.gz	SLVCCFBYVQMOMS-ZETCQYMHSA-N	-1	0	260.301	0.859	20	30		CCEDRM
C=CCOCC(=O)NC1(c2nnn[n-]2)CCCC1	ZINC000346324801	389326992	/nfs/dbraw/zinc/32/69/92/389326992.db2.gz	JREQXNWTPIWFPC-UHFFFAOYSA-N	-1	0	251.290	0.288	20	30		CCEDRM
C[C@H](C(=O)N=c1[n-]n(C(C)(C)C)cc1C#N)n1cncn1	ZINC000330977507	389270047	/nfs/dbraw/zinc/27/00/47/389270047.db2.gz	IJGYYYXFDOUBGL-SECBINFHSA-N	-1	0	287.327	0.723	20	30		CCEDRM
Cc1cc(C(=O)N[C@@H](C)CC#N)[nH]c2nc(=O)[n-]c(=O)c1-2	ZINC000266794540	389366966	/nfs/dbraw/zinc/36/69/66/389366966.db2.gz	BYXMRIBKMHEDQZ-ZETCQYMHSA-N	-1	0	287.279	0.776	20	30		CCEDRM
CC[C@H](C#N)NC(=O)c1cc(C)c2c(=O)[n-]c(=O)nc-2[nH]1	ZINC000172638393	389491409	/nfs/dbraw/zinc/49/14/09/389491409.db2.gz	RKOHAXJXBSXYTR-SSDOTTSWSA-N	-1	0	287.279	0.364	20	30		CCEDRM
C=C[C@@H](CO)NS(=O)(=O)c1cccc(F)c1F	ZINC000349778286	389433506	/nfs/dbraw/zinc/43/35/06/389433506.db2.gz	RYLWVRYNWUHELA-ZETCQYMHSA-N	-1	0	263.265	0.790	20	30		CCEDRM
C=C[C@@H](CO)[N-]S(=O)(=O)c1c(F)cc(F)cc1F	ZINC000349811254	389439476	/nfs/dbraw/zinc/43/94/76/389439476.db2.gz	NFUCNTQXTWQIDZ-ZETCQYMHSA-N	-1	0	281.255	0.929	20	30		CCEDRM
CC(C)[C@@H](NC(=O)C(=O)Nc1cccc(C#N)c1)C(=O)[O-]	ZINC000422660761	389451824	/nfs/dbraw/zinc/45/18/24/389451824.db2.gz	GFAYQNRNTMCVJE-LLVKDONJSA-N	-1	0	289.291	0.722	20	30		CCEDRM
C=CCN(CC(=O)[O-])C(=O)[C@@H]1CC12CCOCC2	ZINC000372923025	389459897	/nfs/dbraw/zinc/45/98/97/389459897.db2.gz	UAWYIQGAKAHLTD-JTQLQIEISA-N	-1	0	253.298	0.902	20	30		CCEDRM
C=CCC1(C(=O)NCCOCC(=O)[O-])CCOCC1	ZINC000425246477	389642952	/nfs/dbraw/zinc/64/29/52/389642952.db2.gz	WLCSJDQMTLLOEZ-UHFFFAOYSA-N	-1	0	271.313	0.577	20	30		CCEDRM
C#CCN(CC#N)S(=O)(=O)c1cc(C(=O)[O-])n(CC)c1	ZINC000281095479	389607796	/nfs/dbraw/zinc/60/77/96/389607796.db2.gz	VUGLSVKNTYKSSH-UHFFFAOYSA-N	-1	0	295.320	0.354	20	30		CCEDRM
COc1n[n-]c(=NC(=O)N[C@@H]2CC[C@H](C#N)C2)s1	ZINC000425662117	389654499	/nfs/dbraw/zinc/65/44/99/389654499.db2.gz	ICASDPPFJBRJJM-NKWVEPMBSA-N	-1	0	267.314	0.782	20	30		CCEDRM
CC[C@H](C#N)S(=O)(=O)[N-]c1cc(C(=O)OC)n(C)c1	ZINC000416959023	389785185	/nfs/dbraw/zinc/78/51/85/389785185.db2.gz	PQODIQFEZRWVGI-SECBINFHSA-N	-1	0	285.325	0.856	20	30		CCEDRM
CN(CC(=O)[O-])S(=O)(=O)Cc1ccc(C#N)cc1F	ZINC000417413516	389814247	/nfs/dbraw/zinc/81/42/47/389814247.db2.gz	BOSUWRXWFVTNAX-UHFFFAOYSA-N	-1	0	286.284	0.544	20	30		CCEDRM
Cc1[n-][nH]c(=NC(=O)c2cnn3ccc(C)nc23)c1C#N	ZINC000431687524	389864514	/nfs/dbraw/zinc/86/45/14/389864514.db2.gz	YFICNSCFZREGQF-UHFFFAOYSA-N	-1	0	281.279	0.615	20	30		CCEDRM
N#Cc1ccc(NCC(=O)NCCc2nc(=O)o[n-]2)cc1	ZINC000447627679	389959971	/nfs/dbraw/zinc/95/99/71/389959971.db2.gz	AMOXLPZLCKTLMG-UHFFFAOYSA-N	-1	0	287.279	0.005	20	30		CCEDRM
C=CCCC[C@H](C)NC(=O)C(=O)N1CC[C@H](C(=O)[O-])C1	ZINC000420570724	390013326	/nfs/dbraw/zinc/01/33/26/390013326.db2.gz	WOUFXQDVBODKKL-QWRGUYRKSA-N	-1	0	282.340	0.781	20	30		CCEDRM
C=C(C)[C@H]1OCC[C@H]1CNC(=O)C(=O)NCCCC(=O)[O-]	ZINC000420578367	390013691	/nfs/dbraw/zinc/01/36/91/390013691.db2.gz	HOBTVUDWSBOUAS-CMPLNLGQSA-N	-1	0	298.339	0.065	20	30		CCEDRM
CN(CCC(=O)[O-])S(=O)(=O)c1ccc(C#N)cc1F	ZINC000535514006	390144860	/nfs/dbraw/zinc/14/48/60/390144860.db2.gz	UHEQRAIVGJPIAG-UHFFFAOYSA-N	-1	0	286.284	0.793	20	30		CCEDRM
C=CCOCC(=O)NCC1(C(=O)[O-])CCOCC1	ZINC000647767300	390165418	/nfs/dbraw/zinc/16/54/18/390165418.db2.gz	BIBGXLNRSPSTFT-UHFFFAOYSA-N	-1	0	257.286	0.187	20	30		CCEDRM
CC1CC(C#N)(C(=O)N2CCC[C@H](c3nnn[n-]3)C2)C1	ZINC000537123814	390173475	/nfs/dbraw/zinc/17/34/75/390173475.db2.gz	JTSOYHLTTXYLIM-QUNCOHTASA-N	-1	0	274.328	0.846	20	30		CCEDRM
CC#CC[C@@H](NS(=O)(=O)c1cc(C)cnc1N)C(=O)[O-]	ZINC000541001204	390234532	/nfs/dbraw/zinc/23/45/32/390234532.db2.gz	WBNCKKAYMXEWEZ-SECBINFHSA-N	-1	0	297.336	0.117	20	30		CCEDRM
CC#CC[C@@H](NS(=O)(=O)N1CCC[C@H](C)C1)C(=O)[O-]	ZINC000543787103	390293977	/nfs/dbraw/zinc/29/39/77/390293977.db2.gz	JFZBPGJMGOATOA-WDEREUQCSA-N	-1	0	288.369	0.419	20	30		CCEDRM
CC[C@H](CNS(=O)(=O)N(C)C[C@H](C)C#N)CC(=O)[O-]	ZINC000582245065	390273559	/nfs/dbraw/zinc/27/35/59/390273559.db2.gz	XLSKLJUMFLMBFI-ZJUUUORDSA-N	-1	0	291.373	0.413	20	30		CCEDRM
C=CCO[N-]C(=O)[C@H]1C[C@H](O)CN1C(=O)OC(C)(C)C	ZINC000496774039	390361482	/nfs/dbraw/zinc/36/14/82/390361482.db2.gz	JBUWLVBNQALILJ-VHSXEESVSA-N	-1	0	286.328	0.591	20	30		CCEDRM
C=CC[C@H](CO)NC(=O)N=c1[n-]nc(C2CC2)s1	ZINC000554544923	390432591	/nfs/dbraw/zinc/43/25/91/390432591.db2.gz	GVVQGQKMIMLALI-MRVPVSSYSA-N	-1	0	268.342	0.896	20	30		CCEDRM
C[C@@H](CCCNS(=O)(=O)N(C)[C@@H](C)CC#N)C(=O)[O-]	ZINC000564732955	390496373	/nfs/dbraw/zinc/49/63/73/390496373.db2.gz	WHHQCFPTONVEJE-UWVGGRQHSA-N	-1	0	291.373	0.556	20	30		CCEDRM
C=CCOC[C@H](NC(=O)[C@@H]1O[C@@H](C)C[C@H]1C)C(=O)[O-]	ZINC000515487481	390476778	/nfs/dbraw/zinc/47/67/78/390476778.db2.gz	VOVUPNUETFMGSQ-VPOLOUISSA-N	-1	0	271.313	0.572	20	30		CCEDRM
C=CCCOCC(=O)N1CCC[C@@]1(COC)C(=O)[O-]	ZINC000643850063	390582443	/nfs/dbraw/zinc/58/24/43/390582443.db2.gz	KKEHYSSZDOPDQU-CYBMUJFWSA-N	-1	0	271.313	0.671	20	30		CCEDRM
C=C[C@@H](CCC(=O)[O-])NS(=O)(=O)N1CCC[C@H]1C	ZINC000565523733	390521582	/nfs/dbraw/zinc/52/15/82/390521582.db2.gz	GSMOXVDYDXZEPD-ZJUUUORDSA-N	-1	0	276.358	0.725	20	30		CCEDRM
C=CCCCS(=O)(=O)N[C@@H](COCC=C)C(=O)[O-]	ZINC000566853663	390653912	/nfs/dbraw/zinc/65/39/12/390653912.db2.gz	OVOPZTSFFMRZGY-JTQLQIEISA-N	-1	0	277.342	0.528	20	30		CCEDRM
C[C@H](C#N)CN(C)S(=O)(=O)NCCCCCC(=O)[O-]	ZINC000570805815	390719156	/nfs/dbraw/zinc/71/91/56/390719156.db2.gz	NYAZTSHEOMCVGH-SNVBAGLBSA-N	-1	0	291.373	0.557	20	30		CCEDRM
N#Cc1ccc(CC(=O)[N-]S(=O)(=O)C2CC2)cn1	ZINC000529047254	390789626	/nfs/dbraw/zinc/78/96/26/390789626.db2.gz	YFENBDTYRAIXDR-UHFFFAOYSA-N	-1	0	265.294	0.104	20	30		CCEDRM
COc1ccc(=NC(=O)NC[C@@H]2CCCOC2)[n-]n1	ZINC000329103304	533252784	/nfs/dbraw/zinc/25/27/84/533252784.db2.gz	DENRBBIXOZSZEV-VIFPVBQESA-N	-1	0	266.301	0.660	20	30		CCEDRM
Cc1cccc(S(=O)(=O)N[C@H](C)C(=O)[O-])c1C#N	ZINC000261737559	131166059	/nfs/dbraw/zinc/16/60/59/131166059.db2.gz	UHMXFTDXRJBPHY-MRVPVSSYSA-N	-1	0	268.294	0.618	20	30		CCEDRM
N#Cc1cncc(S(=O)(=O)N2CCCC[C@@H]2C(=O)[O-])c1	ZINC000261850690	131173484	/nfs/dbraw/zinc/17/34/84/131173484.db2.gz	WREFQTPJGWOSOQ-LLVKDONJSA-N	-1	0	295.320	0.581	20	30		CCEDRM
CC(C)[C@@H](NS(=O)(=O)c1ccc(C#N)o1)C(=O)[O-]	ZINC000262255271	131205540	/nfs/dbraw/zinc/20/55/40/131205540.db2.gz	DYJLBONWTXMIKQ-SECBINFHSA-N	-1	0	272.282	0.539	20	30		CCEDRM
Cc1[n-][nH]c(=NC(=O)c2ccnc(N(C)C)c2)c1C#N	ZINC000357223774	144070819	/nfs/dbraw/zinc/07/08/19/144070819.db2.gz	AKVWAJFQGSCWSW-UHFFFAOYSA-N	-1	0	270.296	0.725	20	30		CCEDRM
CC[C@H]1C[C@H](C(=O)N=c2[nH][n-]c(C)c2C#N)CC(=O)N1	ZINC000357235786	144071909	/nfs/dbraw/zinc/07/19/09/144071909.db2.gz	WXDWMJDGLHOACN-IUCAKERBSA-N	-1	0	275.312	0.255	20	30		CCEDRM
C=C(C)[C@H](CC(=O)N=c1ccc(C(=O)NC)n[n-]1)OCC	ZINC000650818094	397765992	/nfs/dbraw/zinc/76/59/92/397765992.db2.gz	WZDQJGXUOZTTQR-NSHDSACASA-N	-1	0	292.339	0.568	20	30		CCEDRM
COC[C@@H](C(=O)[O-])N(C)S(=O)(=O)c1cccc(C#N)c1	ZINC000548240536	286019014	/nfs/dbraw/zinc/01/90/14/286019014.db2.gz	CKVMVVQQHPVSSO-NSHDSACASA-N	-1	0	298.320	0.278	20	30		CCEDRM
N#Cc1cc(C(=O)NCCc2n[n-]c(=N)o2)ccc1Cl	ZINC000552493401	286168251	/nfs/dbraw/zinc/16/82/51/286168251.db2.gz	NNJZZZOQBXNWEN-UHFFFAOYSA-N	-1	0	291.698	0.980	20	30		CCEDRM
C[C@@H](C(=O)N(C)C)S(=O)(=O)[N-]c1cc(C#N)ccn1	ZINC000284686428	196112568	/nfs/dbraw/zinc/11/25/68/196112568.db2.gz	GOTTZLLZINVJMT-QMMMGPOBSA-N	-1	0	282.325	0.172	20	30		CCEDRM
CN(CCC#N)S(=O)(=O)c1ccc(O)c(C(=O)[O-])c1	ZINC000021055685	171295626	/nfs/dbraw/zinc/29/56/26/171295626.db2.gz	XTTGGUVAQUZHBA-UHFFFAOYSA-N	-1	0	284.293	0.625	20	30		CCEDRM
CC(=NNCC(N)=O)c1cc(Br)ccc1O	ZINC000758889269	581773407	/nfs/dbraw/zinc/77/34/07/581773407.db2.gz	NUJWFBWHZFNPKE-UHFFFAOYSA-N	-1	0	286.129	0.954	20	30		CCEDRM
N#CCC1(O)CN(C(=O)c2cc(F)c(F)c([O-])c2F)C1	ZINC000332048280	228144746	/nfs/dbraw/zinc/14/47/46/228144746.db2.gz	ZJIMZEFMYANJBJ-UHFFFAOYSA-N	-1	0	286.209	0.910	20	30		CCEDRM
C=C(C)COCCNC(=O)[C@H]1CC[C@H](C(=O)[O-])O1	ZINC000222835304	544825050	/nfs/dbraw/zinc/82/50/50/544825050.db2.gz	RPZZXIFJFJMXBO-NXEZZACHSA-N	-1	0	257.286	0.328	20	30		CCEDRM
N#C[C@H]1COCCN1CC(=O)[N-]OCc1ccccc1	ZINC000093194007	260513076	/nfs/dbraw/zinc/51/30/76/260513076.db2.gz	IJHWPJUJQMRIKJ-ZDUSSCGKSA-N	-1	0	275.308	0.459	20	30		CCEDRM
N#CCCCS(=O)(=O)[N-]C(=O)/C=C/c1cncc(F)c1	ZINC000181278530	260578559	/nfs/dbraw/zinc/57/85/59/260578559.db2.gz	PJKVRNVXJKAMCF-ONEGZZNKSA-N	-1	0	297.311	0.984	20	30		CCEDRM
C=CCN=c1[n-]nc(SC[C@@H](O)Cn2cccn2)s1	ZINC000414098429	262804318	/nfs/dbraw/zinc/80/43/18/262804318.db2.gz	OZHBFAZPFLGHIU-VIFPVBQESA-N	-1	0	297.409	0.908	20	30		CCEDRM
CCN(CC#N)S(=O)(=O)c1ccc(C(=O)[O-])cc1	ZINC000273638658	263018837	/nfs/dbraw/zinc/01/88/37/263018837.db2.gz	DQDRLSZMSPTUOV-UHFFFAOYSA-N	-1	0	268.294	0.919	20	30		CCEDRM
COC[C@@](C)(C#N)NC(=O)c1ccc([N+](=O)[O-])cc1[O-]	ZINC000274801465	263030475	/nfs/dbraw/zinc/03/04/75/263030475.db2.gz	NHJJSWJZTJHMIK-GFCCVEGCSA-N	-1	0	279.252	0.959	20	30		CCEDRM
CN(CCCC(=O)[O-])S(=O)(=O)CCCCC#N	ZINC000340450503	263155029	/nfs/dbraw/zinc/15/50/29/263155029.db2.gz	JYJNPKJUSINVGO-UHFFFAOYSA-N	-1	0	262.331	0.807	20	30		CCEDRM
CCCc1nc(=NC(=O)NCC(=O)NC(C)C)s[n-]1	ZINC000330868976	264058803	/nfs/dbraw/zinc/05/88/03/264058803.db2.gz	WLYHQJGIXXVQIK-UHFFFAOYSA-N	-1	0	285.373	0.763	20	30		CCEDRM
COC[C@@H](O)CNS(=O)(=O)CC1(C#N)CCCCC1	ZINC000331043824	264108144	/nfs/dbraw/zinc/10/81/44/264108144.db2.gz	DTMQTBGNTFZVIB-NSHDSACASA-N	-1	0	290.385	0.387	20	30		CCEDRM
CCN(C[C@H](C)C#N)C(=O)c1cnc([O-])n(C)c1=O	ZINC000331254576	264182429	/nfs/dbraw/zinc/18/24/29/264182429.db2.gz	XEWUTCIUIOCGGI-MRVPVSSYSA-N	-1	0	264.285	0.108	20	30		CCEDRM
CCN(CCC#N)S(=O)(=O)N(C)CCCC(=O)[O-]	ZINC000417413885	264228817	/nfs/dbraw/zinc/22/88/17/264228817.db2.gz	BZVGYTGAUHUJCN-UHFFFAOYSA-N	-1	0	277.346	0.263	20	30		CCEDRM
C#CC[C@H](NS(=O)(=O)N1CCCC[C@@H]1C)C(=O)[O-]	ZINC000161252370	264279737	/nfs/dbraw/zinc/27/97/37/264279737.db2.gz	CIOYUQUSMBXNKJ-UWVGGRQHSA-N	-1	0	274.342	0.172	20	30		CCEDRM
CC[C@H](CC#N)NC(=O)N=c1nc2nc(C)cc(C)n2[n-]1	ZINC000359227451	266552769	/nfs/dbraw/zinc/55/27/69/266552769.db2.gz	WRPJXOFPTIXNPG-SNVBAGLBSA-N	-1	0	287.327	0.977	20	30		CCEDRM
CCn1ncc(C#N)c1[N-]S(=O)(=O)c1ccn(C)n1	ZINC000527362142	267261430	/nfs/dbraw/zinc/26/14/30/267261430.db2.gz	LBAUJOHCGDQLEH-UHFFFAOYSA-N	-1	0	280.313	0.309	20	30		CCEDRM
N#Cc1cc(N2CC[C@H](C(=O)[O-])C2)cc(N)c1[N+](=O)[O-]	ZINC000263508242	303185208	/nfs/dbraw/zinc/18/52/08/303185208.db2.gz	MNQJGMPYTSKGEM-ZETCQYMHSA-N	-1	0	276.252	0.960	20	30		CCEDRM
C=C(C)[C@@H](CC(=O)NCc1n[nH]c(=O)[n-]1)OCC	ZINC000339379563	328009147	/nfs/dbraw/zinc/00/91/47/328009147.db2.gz	RAAHEEOBCWGQIL-MRVPVSSYSA-N	-1	0	254.290	0.498	20	30		CCEDRM
C=CCN(CC(=O)[O-])S(=O)(=O)[C@H]1CCO[C@@H](C)C1	ZINC000563532185	328072063	/nfs/dbraw/zinc/07/20/63/328072063.db2.gz	KBGFYWOIBBYKRW-UWVGGRQHSA-N	-1	0	277.342	0.456	20	30		CCEDRM
COCC[C@@H](NC(=O)c1cccc(CC#N)c1)C(=O)[O-]	ZINC000262329671	328149128	/nfs/dbraw/zinc/14/91/28/328149128.db2.gz	USVDPCSIBARHIJ-GFCCVEGCSA-N	-1	0	276.292	0.972	20	30		CCEDRM
CC[C@](C)(CNS(=O)(=O)N(C)C[C@H](C)C#N)C(=O)[O-]	ZINC000582670280	329122574	/nfs/dbraw/zinc/12/25/74/329122574.db2.gz	TXCGOHCQRKMSDI-MWLCHTKSSA-N	-1	0	291.373	0.413	20	30		CCEDRM
C#CCO[N-]C(=O)C(C)(C)NC(=O)OC(C)(C)C	ZINC000291320853	328263014	/nfs/dbraw/zinc/26/30/14/328263014.db2.gz	SOUWDYOIARSZNS-UHFFFAOYSA-N	-1	0	256.302	0.971	20	30		CCEDRM
N#CC1(CS(=O)(=O)[N-]CC(F)(F)CO)CCCC1	ZINC000341650150	328414236	/nfs/dbraw/zinc/41/42/36/328414236.db2.gz	OCAQVMZZUFKJMR-UHFFFAOYSA-N	-1	0	282.312	0.617	20	30		CCEDRM
CC(C)Oc1ccc(=NC(=O)NC(C)(C)CO)[n-]n1	ZINC000331053964	328476567	/nfs/dbraw/zinc/47/65/67/328476567.db2.gz	JPZSJJGHLFLZOW-UHFFFAOYSA-N	-1	0	268.317	0.783	20	30		CCEDRM
C=CCOC[C@@H](NC(=O)N[C@@H](C)CSC)C(=O)[O-]	ZINC000557655371	327019712	/nfs/dbraw/zinc/01/97/12/327019712.db2.gz	NFXVGJQAJXJSSM-DTWKUNHWSA-N	-1	0	276.358	0.693	20	30		CCEDRM
C=C(C)[C@H]1OCC[C@H]1CNc1ncc(C(=O)[O-])cn1	ZINC000582125170	327311078	/nfs/dbraw/zinc/31/10/78/327311078.db2.gz	IYXYRQGMBHIYRU-GXSJLCMTSA-N	-1	0	263.297	0.990	20	30		CCEDRM
CCOC(=O)c1cc(=NC(=O)[C@@](C)(C#N)CC)[nH][n-]1	ZINC000560631120	327332037	/nfs/dbraw/zinc/33/20/37/327332037.db2.gz	BPYFDSZMIZVWCY-GFCCVEGCSA-N	-1	0	264.285	0.887	20	30		CCEDRM
C=CCOC[C@H](NC(=O)c1cc([N+](=O)[O-])cn1C)C(=O)[O-]	ZINC000562620544	327499086	/nfs/dbraw/zinc/49/90/86/327499086.db2.gz	DBTQAPPATFZIFK-VIFPVBQESA-N	-1	0	297.267	0.319	20	30		CCEDRM
C=C(C)CS(=O)(=O)N1CCn2cccc2[C@@H]1C(=O)[O-]	ZINC000583087766	329308955	/nfs/dbraw/zinc/30/89/55/329308955.db2.gz	HKULKJYHNCKFQQ-LLVKDONJSA-N	-1	0	284.337	0.835	20	30		CCEDRM
C=C(CC)CNC(=O)C(=O)N(C)C[C@H](C)C(=O)[O-]	ZINC000420589191	329778274	/nfs/dbraw/zinc/77/82/74/329778274.db2.gz	TZUKTPBNEQYMKT-VIFPVBQESA-N	-1	0	256.302	0.248	20	30		CCEDRM
C=CCOc1cccnc1C(=O)N[C@@H](CCOC)C(=O)[O-]	ZINC000262305677	330005309	/nfs/dbraw/zinc/00/53/09/330005309.db2.gz	ORAHBCDJALYVCJ-JTQLQIEISA-N	-1	0	294.307	0.866	20	30		CCEDRM
C=CCOCCCC(=O)N1C[C@H]2COCC[C@@]2(C(=O)[O-])C1	ZINC000262356500	330007851	/nfs/dbraw/zinc/00/78/51/330007851.db2.gz	HZIMCBNTZQLBMN-SWLSCSKDSA-N	-1	0	297.351	0.919	20	30		CCEDRM
CC(C)C[C@H](NS(=O)(=O)CC1(C#N)CC1)C(=O)[O-]	ZINC000262406549	330008331	/nfs/dbraw/zinc/00/83/31/330008331.db2.gz	KVJGVMLZBBULAQ-VIFPVBQESA-N	-1	0	274.342	0.709	20	30		CCEDRM
N#CC1(CS(=O)(=O)N2CCC[C@H]2C(=O)[O-])CC1	ZINC000262489049	330017070	/nfs/dbraw/zinc/01/70/70/330017070.db2.gz	XBOVQAZSTRFVMB-QMMMGPOBSA-N	-1	0	258.299	0.169	20	30		CCEDRM
C=CCCO[C@@H](C)C(=O)N[C@]1(CC(=O)[O-])CCOC1	ZINC000262854614	330032558	/nfs/dbraw/zinc/03/25/58/330032558.db2.gz	DVYLPHUEUAJFOV-GWCFXTLKSA-N	-1	0	271.313	0.718	20	30		CCEDRM
C=CCOC[C@@H](NC(=O)c1cc(CC)n[nH]1)C(=O)[O-]	ZINC000263005665	330038646	/nfs/dbraw/zinc/03/86/46/330038646.db2.gz	MSSJDAZKQFSELQ-SNVBAGLBSA-N	-1	0	267.285	0.358	20	30		CCEDRM
C#C[C@H](NC(=O)N1C[C@H](C)C[C@H](C(=O)[O-])C1)[C@@H]1CCCO1	ZINC000263132658	330045220	/nfs/dbraw/zinc/04/52/20/330045220.db2.gz	CZTQOWNAGYOSJH-VOAKCMCISA-N	-1	0	294.351	0.919	20	30		CCEDRM
C=CCOC[C@@H](NC(=O)[C@H]1[C@@H]2CCC[C@@H]21)C(=O)[O-]	ZINC000263186319	330048142	/nfs/dbraw/zinc/04/81/42/330048142.db2.gz	ZYHQULFYDUCLOE-YTWAJWBKSA-N	-1	0	253.298	0.805	20	30		CCEDRM
C[C@@H]1C[C@H](C(=O)[O-])CN(S(=O)(=O)CCCC#N)C1	ZINC000263238162	330050364	/nfs/dbraw/zinc/05/03/64/330050364.db2.gz	RHOSOPUVYACSKX-ZJUUUORDSA-N	-1	0	274.342	0.663	20	30		CCEDRM
C#C[C@H]1COCCN1C(=O)NC1CCC(C(=O)[O-])CC1	ZINC000263452984	330056561	/nfs/dbraw/zinc/05/65/61/330056561.db2.gz	GQZLHLTYHDXPAP-MCIGGMRASA-N	-1	0	280.324	0.673	20	30		CCEDRM
C#CCOc1cccc(NC(=O)NC[C@@](C)(O)C(=O)[O-])c1	ZINC000263481344	330057501	/nfs/dbraw/zinc/05/75/01/330057501.db2.gz	KXWZYQMHZJXVAX-CQSZACIVSA-N	-1	0	292.291	0.656	20	30		CCEDRM
C[C@@H]1C[C@@H](C(=O)[O-])CN(S(=O)(=O)N(C)CCC#N)C1	ZINC000422555260	330149150	/nfs/dbraw/zinc/14/91/50/330149150.db2.gz	OQSFIWSZRPRHDT-NXEZZACHSA-N	-1	0	289.357	0.119	20	30		CCEDRM
C=C[C@H]1CCCCN1C(=O)C(=O)N(C)C[C@H](C)C(=O)[O-]	ZINC000422902832	330162164	/nfs/dbraw/zinc/16/21/64/330162164.db2.gz	DRIDBSGJWOCGIB-QWRGUYRKSA-N	-1	0	282.340	0.733	20	30		CCEDRM
C=CCCn1cc(C(=O)N2CCC[C@@H](C(=O)[O-])C2)nn1	ZINC000424229509	330330806	/nfs/dbraw/zinc/33/08/06/330330806.db2.gz	XKWBTRPIZPWEAN-SNVBAGLBSA-N	-1	0	278.312	0.791	20	30		CCEDRM
C=C[C@@H]1OCC[C@H]1CNC(=O)[C@H](C)O[C@H](C)C(=O)[O-]	ZINC000424526331	330365576	/nfs/dbraw/zinc/36/55/76/330365576.db2.gz	BQXVVPAITSVPBQ-VLEAKVRGSA-N	-1	0	271.313	0.572	20	30		CCEDRM
C=CCC[C@@H](CO)NC(=O)N=c1[n-]nc(C)s1	ZINC000454237588	331142475	/nfs/dbraw/zinc/14/24/75/331142475.db2.gz	WYKXBDUMBPREFG-QMMMGPOBSA-N	-1	0	256.331	0.717	20	30		CCEDRM
C=CCC[C@H](CO)NC(=O)N=c1[n-]nc(C)s1	ZINC000454237587	331142488	/nfs/dbraw/zinc/14/24/88/331142488.db2.gz	WYKXBDUMBPREFG-MRVPVSSYSA-N	-1	0	256.331	0.717	20	30		CCEDRM
C#C[C@H](C)N(C)C(=O)C(=O)N=c1ccc(OC(C)C)n[n-]1	ZINC000491070815	332146296	/nfs/dbraw/zinc/14/62/96/332146296.db2.gz	FWZNBJCUDAKXQU-JTQLQIEISA-N	-1	0	290.323	0.104	20	30		CCEDRM
C#C[C@@H]1COCCN1C(=O)c1cccc([N+](=O)[O-])c1[O-]	ZINC000491338416	332192501	/nfs/dbraw/zinc/19/25/01/332192501.db2.gz	IFRWIMNIDIQNTD-SECBINFHSA-N	-1	0	276.248	0.775	20	30		CCEDRM
C#C[C@@H]1COCCN1C(=O)N=c1ccc(C2CC2)n[n-]1	ZINC000491632718	332254681	/nfs/dbraw/zinc/25/46/81/332254681.db2.gz	SHZUVHSKVPUQLI-LLVKDONJSA-N	-1	0	272.308	0.642	20	30		CCEDRM
C#C[C@H](CCC)NC(=O)C(=O)N=c1ncn(C(C)(C)C)[n-]1	ZINC000491748674	332325721	/nfs/dbraw/zinc/32/57/21/332325721.db2.gz	YHMCMOHTQMVWNG-SNVBAGLBSA-N	-1	0	291.355	0.312	20	30		CCEDRM
C#C[C@@H](CCC)NC(=O)CSc1n[nH]c(=O)[n-]1	ZINC000491805540	332359164	/nfs/dbraw/zinc/35/91/64/332359164.db2.gz	OIOCCYYWUHTACV-ZETCQYMHSA-N	-1	0	254.315	0.521	20	30		CCEDRM
Cn1nccc1/C=C\C(=O)[N-]S(=O)(=O)CC(C)(C)C#N	ZINC000492343949	332393448	/nfs/dbraw/zinc/39/34/48/332393448.db2.gz	OLEKOKWHUVKJRP-PLNGDYQASA-N	-1	0	296.352	0.429	20	30		CCEDRM
C#CC(C)(C)N(C)S(=O)(=O)[N-]CC(F)(F)F	ZINC000195473130	333253882	/nfs/dbraw/zinc/25/38/82/333253882.db2.gz	CJCDFAHRIRVIOF-UHFFFAOYSA-N	-1	0	258.265	0.727	20	30		CCEDRM
CC(C)(CC#N)CNS(=O)(=O)[N-]CC(F)(F)F	ZINC000315847287	333384088	/nfs/dbraw/zinc/38/40/88/333384088.db2.gz	FMPVSAQGSFEFBO-UHFFFAOYSA-N	-1	0	273.280	0.913	20	30		CCEDRM
C=CCS(=O)(=O)[N-]C(=O)[C@@H]1[C@H](C)O[C@@H](C)[C@H]1C	ZINC000528974651	333467120	/nfs/dbraw/zinc/46/71/20/333467120.db2.gz	XVXMVGFDCYXMEP-KATARQTJSA-N	-1	0	261.343	0.678	20	30		CCEDRM
C=CCCS(=O)(=O)N1CC[C@](OC)(C(=O)[O-])C1	ZINC000530151962	333525351	/nfs/dbraw/zinc/52/53/51/333525351.db2.gz	JKYVVNBLOKNRRP-SNVBAGLBSA-N	-1	0	263.315	0.068	20	30		CCEDRM
CC#CC[C@H](NS(=O)(=O)N(C)[C@@H](C)C1CC1)C(=O)[O-]	ZINC000540999707	333757607	/nfs/dbraw/zinc/75/76/07/333757607.db2.gz	DPRQJFWLNMYLDK-ONGXEEELSA-N	-1	0	288.369	0.418	20	30		CCEDRM
C=CCN(CC(=O)[O-])S(=O)(=O)[C@H](C)CCOC	ZINC000547905619	334129212	/nfs/dbraw/zinc/12/92/12/334129212.db2.gz	YJVCCUXFTJPHGV-SECBINFHSA-N	-1	0	265.331	0.314	20	30		CCEDRM
CC(C)[C@H](CNS(=O)(=O)CC1(C#N)CC1)C(=O)[O-]	ZINC000547938517	334130001	/nfs/dbraw/zinc/13/00/01/334130001.db2.gz	AEAXKTJDIWMTAR-VIFPVBQESA-N	-1	0	274.342	0.566	20	30		CCEDRM
N#CC1(CS(=O)(=O)N2C[C@@H]3CCC[C@H]3[C@@H]2C(=O)[O-])CC1	ZINC000548028002	334135669	/nfs/dbraw/zinc/13/56/69/334135669.db2.gz	KVENTBSFQYNVRU-HBNTYKKESA-N	-1	0	298.364	0.805	20	30		CCEDRM
C[C@@H](CCCC(=O)[O-])NS(=O)(=O)CCCC#N	ZINC000548214154	334146488	/nfs/dbraw/zinc/14/64/88/334146488.db2.gz	PVDXQOXJENVDPV-VIFPVBQESA-N	-1	0	262.331	0.853	20	30		CCEDRM
Cc1nc(CNS(=O)(=O)CCCC#N)ccc1C(=O)[O-]	ZINC000548216021	334146550	/nfs/dbraw/zinc/14/65/50/334146550.db2.gz	CKZNAPHPVUFORA-UHFFFAOYSA-N	-1	0	297.336	0.811	20	30		CCEDRM
C[C@H]1SC[C@@H](C(=O)[O-])N1S(=O)(=O)CCCC#N	ZINC000548218792	334146805	/nfs/dbraw/zinc/14/68/05/334146805.db2.gz	DKFIPMIGXKAGSK-SFYZADRCSA-N	-1	0	278.355	0.468	20	30		CCEDRM
CC[C@H](C)[C@H](NS(=O)(=O)CC1(C#N)CC1)C(=O)[O-]	ZINC000548232722	334146897	/nfs/dbraw/zinc/14/68/97/334146897.db2.gz	ZLVXVBUDMJJGHY-IUCAKERBSA-N	-1	0	274.342	0.709	20	30		CCEDRM
COC[C@@H](C(=O)[O-])N(C)S(=O)(=O)CCCCC#N	ZINC000548566427	334162733	/nfs/dbraw/zinc/16/27/33/334162733.db2.gz	RXILQJBRYHRFJM-VIFPVBQESA-N	-1	0	278.330	0.041	20	30		CCEDRM
C=CCC[C@H](NC(=O)c1cc(C)n(C)n1)C(=O)[O-]	ZINC000262856173	334575338	/nfs/dbraw/zinc/57/53/38/334575338.db2.gz	IGKOETTYPDUGII-VIFPVBQESA-N	-1	0	251.286	0.878	20	30		CCEDRM
C=C[C@H](CCC(=O)[O-])NS(=O)(=O)N(C)C[C@H](C)C#N	ZINC000578446633	335635589	/nfs/dbraw/zinc/63/55/89/335635589.db2.gz	YLFRCQCUIISBQQ-NXEZZACHSA-N	-1	0	289.357	0.332	20	30		CCEDRM
N#CCC1(CNC(=O)[C@H]2CC[C@@H](C(=O)[O-])O2)CC1	ZINC000362335234	335855483	/nfs/dbraw/zinc/85/54/83/335855483.db2.gz	RAIXQNYEMTYPEX-BDAKNGLRSA-N	-1	0	252.270	0.429	20	30		CCEDRM
CC[C@@H](CNS(=O)(=O)c1cncc(C#N)c1)CC(=O)[O-]	ZINC000383759678	336117666	/nfs/dbraw/zinc/11/76/66/336117666.db2.gz	ODCPPNZKIGAQMO-SECBINFHSA-N	-1	0	297.336	0.732	20	30		CCEDRM
CCN(CCC#N)C(=O)CSc1n[n-]c(=N)n1C	ZINC000581834264	336150060	/nfs/dbraw/zinc/15/00/60/336150060.db2.gz	KGNWPCCLOVASKJ-UHFFFAOYSA-N	-1	0	268.346	0.082	20	30		CCEDRM
C[C@H](C#N)CN(C)S(=O)(=O)N1CC[C@@H](C)[C@H]1C(=O)[O-]	ZINC000582006257	336189930	/nfs/dbraw/zinc/18/99/30/336189930.db2.gz	FBOQSAFCHSYOOB-BBBLOLIVSA-N	-1	0	289.357	0.118	20	30		CCEDRM
N#CCN(CC(=O)[O-])C(=O)CCOCC(F)(F)F	ZINC000739077856	582101463	/nfs/dbraw/zinc/10/14/63/582101463.db2.gz	UUQITSTVDPDNSG-UHFFFAOYSA-N	-1	0	268.191	0.392	20	30		CCEDRM
Cc1nc([N-]S(=O)(=O)c2ccc(C#N)cc2)nn1C	ZINC000427651792	534493708	/nfs/dbraw/zinc/49/37/08/534493708.db2.gz	BAPRXDQUCQDOAZ-UHFFFAOYSA-N	-1	0	277.309	0.796	20	30		CCEDRM
CN(C)c1cc(C#N)cc(C(=O)NC(C)(C)c2nnn[n-]2)c1	ZINC000340731101	522112905	/nfs/dbraw/zinc/11/29/05/522112905.db2.gz	ALQILUOECGXBNS-UHFFFAOYSA-N	-1	0	299.338	0.802	20	30		CCEDRM
C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)N1CCO[C@H](C(=O)[O-])C1	ZINC000666544995	545125305	/nfs/dbraw/zinc/12/53/05/545125305.db2.gz	FZAGPZIRUSAOGW-WOPDTQHZSA-N	-1	0	298.339	0.463	20	30		CCEDRM
C=CCC[C@H](CO)NC(=O)NCCCCC(=O)[O-]	ZINC000666557184	545125467	/nfs/dbraw/zinc/12/54/67/545125467.db2.gz	BIKIOIJQFHNDNU-SNVBAGLBSA-N	-1	0	258.318	0.868	20	30		CCEDRM
CC[C@@H](C(=O)NCc1n[nH]c(=O)[n-]1)N1CCCC1=O	ZINC000330064318	529265521	/nfs/dbraw/zinc/26/55/21/529265521.db2.gz	QZFMHAYPOKFNBE-ZETCQYMHSA-N	-1	0	267.289	0.368	20	30		CCEDRM
CC(C)(CC(=O)[O-])CC(=O)NCCn1cnc(C#N)n1	ZINC000348993969	534989231	/nfs/dbraw/zinc/98/92/31/534989231.db2.gz	JCFLULLQZOHGAO-UHFFFAOYSA-N	-1	0	279.300	0.157	20	30		CCEDRM
CC(C)(CCC(=O)[O-])NS(=O)(=O)c1cncc(C#N)c1	ZINC000261648368	535010302	/nfs/dbraw/zinc/01/03/02/535010302.db2.gz	DCQDJTCNFSWGHD-UHFFFAOYSA-N	-1	0	297.336	0.875	20	30		CCEDRM
C=CCCOCC(=O)N1CCOC[C@H]1CC(=O)[O-]	ZINC000675091070	545321528	/nfs/dbraw/zinc/32/15/28/545321528.db2.gz	CDLXDTIFMORCIL-SNVBAGLBSA-N	-1	0	257.286	0.281	20	30		CCEDRM
N#CCN(CC(=O)[O-])C(=O)c1csc([N+](=O)[O-])c1	ZINC000739084938	581174281	/nfs/dbraw/zinc/17/42/81/581174281.db2.gz	AEZSGNWOMJYSPW-UHFFFAOYSA-N	-1	0	269.238	0.707	20	30		CCEDRM
CC#CCS(=O)(=O)[N-]C(=O)c1ccc(C)n1C	ZINC000791110195	581207633	/nfs/dbraw/zinc/20/76/33/581207633.db2.gz	WBYZNBCDWVTEBQ-UHFFFAOYSA-N	-1	0	254.311	0.416	20	30		CCEDRM
C#CCCS(=O)(=O)[N-]C(=O)Cc1csc(CC)n1	ZINC000791110374	581207567	/nfs/dbraw/zinc/20/75/67/581207567.db2.gz	ZEVQMXTUAFCDEV-UHFFFAOYSA-N	-1	0	286.378	0.717	20	30		CCEDRM
C[C@@H](CNC(=O)[O-])N(C)S(=O)(=O)CCCC#N	ZINC000738939826	581207554	/nfs/dbraw/zinc/20/75/54/581207554.db2.gz	GZVPBOLEKNMEMC-QMMMGPOBSA-N	-1	0	263.319	0.208	20	30		CCEDRM
C=CCCO[C@@H](C)C(=O)N1CC(n2cc(C(=O)[O-])nn2)C1	ZINC000780318699	581224927	/nfs/dbraw/zinc/22/49/27/581224927.db2.gz	ZVDLTPGTOQKRLS-VIFPVBQESA-N	-1	0	294.311	0.341	20	30		CCEDRM
N#Cc1cnn(C(=O)c2cc([O-])cc([N+](=O)[O-])c2)c1N	ZINC000780408705	581227602	/nfs/dbraw/zinc/22/76/02/581227602.db2.gz	OBZRWZPWEAZYJN-UHFFFAOYSA-N	-1	0	273.208	0.639	20	30		CCEDRM
C=CCCOCC(=O)[N-]S(=O)(=O)C[C@@H]1CCCCO1	ZINC000726348109	581237806	/nfs/dbraw/zinc/23/78/06/581237806.db2.gz	FZTUFIVYJMCFBY-NSHDSACASA-N	-1	0	291.369	0.594	20	30		CCEDRM
CNC(=O)C(C#N)=C([O-])c1cc(C)cc2c[nH]nc21	ZINC000726731176	581248096	/nfs/dbraw/zinc/24/80/96/581248096.db2.gz	GCQKKUXQUKRYDA-SNVBAGLBSA-N	-1	0	256.265	0.940	20	30		CCEDRM
CC(=O)N1CSC[C@@H]1C(=O)Nc1nc(C#N)c(C#N)[n-]1	ZINC000726798455	581252731	/nfs/dbraw/zinc/25/27/31/581252731.db2.gz	XLOAYCZTUHJLPQ-SECBINFHSA-N	-1	0	290.308	0.013	20	30		CCEDRM
CC[C@H](NN=Cc1c(CO)cnc(C)c1O)C(=O)[O-]	ZINC000793057179	581282845	/nfs/dbraw/zinc/28/28/45/581282845.db2.gz	MEGGWUZUJIXHIZ-JTQLQIEISA-N	-1	0	267.285	0.375	20	30		CCEDRM
CC[C@H](NN=Cc1cnc(N2CCOCC2)s1)C(=O)[O-]	ZINC000793078055	581283528	/nfs/dbraw/zinc/28/35/28/581283528.db2.gz	LDVLLBLKRFDNQF-JTQLQIEISA-N	-1	0	298.368	0.766	20	30		CCEDRM
CC[C@H](NN=Cc1ccc(S(C)(=O)=O)cc1)C(=O)[O-]	ZINC000793080452	581283560	/nfs/dbraw/zinc/28/35/60/581283560.db2.gz	ZHACLEZXXUZMHY-NSHDSACASA-N	-1	0	284.337	0.877	20	30		CCEDRM
CC[C@@H](NN=Cc1ncc(C2OCCO2)s1)C(=O)[O-]	ZINC000793079911	581283637	/nfs/dbraw/zinc/28/36/37/581283637.db2.gz	VCFIJWMMNKAWJZ-SSDOTTSWSA-N	-1	0	285.325	0.975	20	30		CCEDRM
CC[C@H](NN=Cc1ccc2c(c1)nnn2C)C(=O)[O-]	ZINC000793077370	581283719	/nfs/dbraw/zinc/28/37/19/581283719.db2.gz	FIBVTIOKNXCQSO-VIFPVBQESA-N	-1	0	261.285	0.755	20	30		CCEDRM
Cc1c[nH]cc1C(=O)[N-]S(=O)(=O)CC1(C#N)CC1	ZINC000793195446	581287746	/nfs/dbraw/zinc/28/77/46/581287746.db2.gz	MLFPBVWFARNZDI-UHFFFAOYSA-N	-1	0	267.310	0.687	20	30		CCEDRM
CCCc1nc(C(=O)[N-]S(=O)(=O)CC2(C#N)CC2)co1	ZINC000793196953	581287769	/nfs/dbraw/zinc/28/77/69/581287769.db2.gz	LFUFUASIYBYPMO-UHFFFAOYSA-N	-1	0	297.336	0.990	20	30		CCEDRM
Cc1cncc(C(=O)[N-]S(=O)(=O)CC2(C#N)CC2)c1	ZINC000793195049	581287855	/nfs/dbraw/zinc/28/78/55/581287855.db2.gz	FCYAXKAHMQZRDL-UHFFFAOYSA-N	-1	0	279.321	0.753	20	30		CCEDRM
N#CC1(CS(=O)(=O)[N-]C(=O)[C@H]2CCCOCC2)CC1	ZINC000793194930	581287857	/nfs/dbraw/zinc/28/78/57/581287857.db2.gz	AZHFQFQRSSRMIG-JTQLQIEISA-N	-1	0	286.353	0.553	20	30		CCEDRM
CCc1nn(C)cc1C(=O)[N-]S(=O)(=O)CC1(C#N)CC1	ZINC000793194458	581287889	/nfs/dbraw/zinc/28/78/89/581287889.db2.gz	LHQXSBKHOIHPAW-UHFFFAOYSA-N	-1	0	296.352	0.346	20	30		CCEDRM
N#CC1(CS(=O)(=O)[N-]C(=O)[C@@H]2CC2(Cl)Cl)CC1	ZINC000793194068	581287911	/nfs/dbraw/zinc/28/79/11/581287911.db2.gz	FNQSMECMKMKMNT-LURJTMIESA-N	-1	0	297.163	0.930	20	30		CCEDRM
CO[C@H](C(=O)[N-]S(=O)(=O)CC1(C#N)CC1)C(C)C	ZINC000793194871	581287919	/nfs/dbraw/zinc/28/79/19/581287919.db2.gz	BSVYOEJQAQBMLE-VIFPVBQESA-N	-1	0	274.342	0.407	20	30		CCEDRM
Cc1ccc(C(=O)[N-]S(=O)(=O)CC2(C#N)CC2)o1	ZINC000793196275	581288055	/nfs/dbraw/zinc/28/80/55/581288055.db2.gz	GMOWIUHRWKLVIP-UHFFFAOYSA-N	-1	0	268.294	0.951	20	30		CCEDRM
N#CCN1CCC(NC(=O)N[C@H]2CCN(C(=O)[O-])C2)CC1	ZINC000740305358	581322516	/nfs/dbraw/zinc/32/25/16/581322516.db2.gz	MRYCYWLKTRMMJZ-NSHDSACASA-N	-1	0	295.343	0.026	20	30		CCEDRM
C#CCCN1CCN(C(=O)[C@H]2CCC[C@@H]2NC(=O)[O-])CC1	ZINC000738457727	581332207	/nfs/dbraw/zinc/33/22/07/581332207.db2.gz	VHXOMFBNTSPLMQ-STQMWFEESA-N	-1	0	293.367	0.590	20	30		CCEDRM
C#CCNC(=O)[C@@H](C)N1CCC[C@H](N(C)C(=O)[O-])C1	ZINC000738461155	581333872	/nfs/dbraw/zinc/33/38/72/581333872.db2.gz	OMBKLBUCKPDSND-MNOVXSKESA-N	-1	0	267.329	0.199	20	30		CCEDRM
C#CCOCCNC(=O)C[C@]1(C(=O)[O-])CCSC1	ZINC000783685300	581356288	/nfs/dbraw/zinc/35/62/88/581356288.db2.gz	LYRMPMKIEFYCGH-GFCCVEGCSA-N	-1	0	271.338	0.350	20	30		CCEDRM
C=CCCO[C@H](C)C(=O)N1CC[C@H](NC(=O)[O-])C1	ZINC000738493460	581361387	/nfs/dbraw/zinc/36/13/87/581361387.db2.gz	NZKKYDOACZSXDM-ZJUUUORDSA-N	-1	0	256.302	0.836	20	30		CCEDRM
C#CCCS(=O)(=O)[N-]C(=O)CCc1cncc(C)c1	ZINC000797200735	581372121	/nfs/dbraw/zinc/37/21/21/581372121.db2.gz	UCSIPBDDGVWXIZ-UHFFFAOYSA-N	-1	0	280.349	0.792	20	30		CCEDRM
C[C@@H]1C[C@@H](C(=O)C(C#N)=C([O-])c2nccn2C)CO1	ZINC000784527911	581387200	/nfs/dbraw/zinc/38/72/00/581387200.db2.gz	XKIFJMHKBJYWFS-OPRDCNLKSA-N	-1	0	261.281	0.737	20	30		CCEDRM
CNC(=O)C(C#N)=C([O-])c1cnn(CCC(F)(F)F)c1	ZINC000784834332	581395297	/nfs/dbraw/zinc/39/52/97/581395297.db2.gz	WVFIPYPSHOWJBZ-QMMMGPOBSA-N	-1	0	288.229	0.904	20	30		CCEDRM
C=C[C@H]1CCCCN1C(=O)Cn1[n-]cc2c(=O)ncnc1-2	ZINC000785856934	581423357	/nfs/dbraw/zinc/42/33/57/581423357.db2.gz	NPOLFEROHTXXCS-JTQLQIEISA-N	-1	0	287.323	0.638	20	30		CCEDRM
C=CCC(C)(C)C(=O)[N-]S(=O)(=O)[C@H]1CCOC1	ZINC000796881273	581453382	/nfs/dbraw/zinc/45/33/82/581453382.db2.gz	DBQNKDASYOHHNF-VIFPVBQESA-N	-1	0	261.343	0.824	20	30		CCEDRM
C=CCC(C)(C)C(=O)[N-]S(=O)(=O)c1cnccn1	ZINC000796971752	581456480	/nfs/dbraw/zinc/45/64/80/581456480.db2.gz	UQGDKMNITVEHDP-UHFFFAOYSA-N	-1	0	269.326	0.884	20	30		CCEDRM
N#Cc1nc(N)n(Cc2cc(C(=O)[O-])co2)c1C#N	ZINC000739145594	581511629	/nfs/dbraw/zinc/51/16/29/581511629.db2.gz	QECIRVRRRGKGGO-UHFFFAOYSA-N	-1	0	257.209	0.548	20	30		CCEDRM
CC(C)[C@](C)(C#N)NC(=O)CN1CCN(C(=O)[O-])C[C@@H]1C	ZINC000739161606	581514124	/nfs/dbraw/zinc/51/41/24/581514124.db2.gz	QQWYMYCBTZWKIH-FZMZJTMJSA-N	-1	0	296.371	0.725	20	30		CCEDRM
N#CC(C(=O)NC1CC1)=C([O-])c1ccc2nncn2c1	ZINC000733678917	581517959	/nfs/dbraw/zinc/51/79/59/581517959.db2.gz	OBEVMZWTSYOAEI-JTQLQIEISA-N	-1	0	269.264	0.330	20	30		CCEDRM
CC(C)NC(=O)C(C#N)=C([O-])c1ccc2nncn2c1	ZINC000733679542	581517983	/nfs/dbraw/zinc/51/79/83/581517983.db2.gz	KKLJGZOYLCUISS-SNVBAGLBSA-N	-1	0	271.280	0.576	20	30		CCEDRM
COCCNC(=O)C(C#N)=C([O-])c1cncc(COC)c1	ZINC000765586691	581526895	/nfs/dbraw/zinc/52/68/95/581526895.db2.gz	JPKHYLYOITYFCS-GFCCVEGCSA-N	-1	0	291.307	0.313	20	30		CCEDRM
C=CCNC(=O)C(C#N)=C([O-])c1cnc(OC)nc1	ZINC000734079886	581542419	/nfs/dbraw/zinc/54/24/19/581542419.db2.gz	FILZMGJWKNDJOV-VIFPVBQESA-N	-1	0	260.253	0.110	20	30		CCEDRM
COc1ncc(C([O-])=C(C#N)C(=O)NC2CCCC2)cn1	ZINC000734080210	581542609	/nfs/dbraw/zinc/54/26/09/581542609.db2.gz	LZNIEFNVJOBGBN-LLVKDONJSA-N	-1	0	288.307	0.866	20	30		CCEDRM
CCN(CC(=O)[C@H](C#N)C(=O)NC1CCCC1)C(=O)[O-]	ZINC000739384399	581544053	/nfs/dbraw/zinc/54/40/53/581544053.db2.gz	FRDXCHPHEGONPK-JTQLQIEISA-N	-1	0	281.312	0.754	20	30		CCEDRM
C=CCCC(=O)[N-]S(=O)(=O)CCCC(=O)OC	ZINC000734090387	581544038	/nfs/dbraw/zinc/54/40/38/581544038.db2.gz	XEUUMCXRFOZFKM-UHFFFAOYSA-N	-1	0	263.315	0.352	20	30		CCEDRM
Cn1nnc2cc(C([O-])=C(C#N)C(=O)N3CCCC3)ccc21	ZINC000729186093	581557788	/nfs/dbraw/zinc/55/77/88/581557788.db2.gz	AZSVDDKDQFLGHF-NSHDSACASA-N	-1	0	297.318	0.913	20	30		CCEDRM
COc1ccc(C=NN2CCOCC2)c(OCC(=O)[O-])c1	ZINC000734361263	581560423	/nfs/dbraw/zinc/56/04/23/581560423.db2.gz	APIXFFDHYSAKII-UHFFFAOYSA-N	-1	0	294.307	0.825	20	30		CCEDRM
C=CCNC(=O)COC(=O)c1ccc2c(c1)C(=O)NC2=O	ZINC000729293369	581572080	/nfs/dbraw/zinc/57/20/80/581572080.db2.gz	GRHSVFSGKLKIAK-UHFFFAOYSA-N	-1	0	288.259	0.029	20	30		CCEDRM
CN(C(=O)[O-])[C@@H]1CCCN(S(=O)(=O)CCCC#N)C1	ZINC000739588802	581576356	/nfs/dbraw/zinc/57/63/56/581576356.db2.gz	RFGYBZDSGKRWPJ-SNVBAGLBSA-N	-1	0	289.357	0.694	20	30		CCEDRM
O=C([O-])C1CCN(C(=O)CON=C2CCC2)CC1	ZINC000739592635	581577414	/nfs/dbraw/zinc/57/74/14/581577414.db2.gz	KPQHJZUCKWRLEI-UHFFFAOYSA-N	-1	0	254.286	0.866	20	30		CCEDRM
CN(CC#N)C(=O)c1cn(C2CCN(C(=O)[O-])CC2)nn1	ZINC000739616162	581581078	/nfs/dbraw/zinc/58/10/78/581581078.db2.gz	BKHYAPOLGQQTIW-UHFFFAOYSA-N	-1	0	292.299	0.189	20	30		CCEDRM
COc1cc(C#N)ccc1OCCCC(=O)NCC(=O)[O-]	ZINC000739850882	581629955	/nfs/dbraw/zinc/62/99/55/581629955.db2.gz	AZIBOURNZXULBW-UHFFFAOYSA-N	-1	0	292.291	0.927	20	30		CCEDRM
Cc1cc(C)n2c(C=NNc3nnc(C)c(=O)[n-]3)cnc2n1	ZINC000755524672	581643894	/nfs/dbraw/zinc/64/38/94/581643894.db2.gz	NZLFKJFSLKCKIY-UHFFFAOYSA-N	-1	0	298.310	0.991	20	30		CCEDRM
COc1cc(OC)cc(C(=O)N(CC#N)CC(=O)[O-])c1	ZINC000737902468	581648979	/nfs/dbraw/zinc/64/89/79/581648979.db2.gz	MLTNXQJZCMNCSN-UHFFFAOYSA-N	-1	0	278.264	0.754	20	30		CCEDRM
C#CCCS(=O)(=O)[N-]C(=O)[C@H]1CCO[C@H](C)C1	ZINC000788072592	581657391	/nfs/dbraw/zinc/65/73/91/581657391.db2.gz	WKYZTYMCULOHKT-ZJUUUORDSA-N	-1	0	259.327	0.271	20	30		CCEDRM
N#C[C@@H](C(=O)CSCC(=O)[O-])C(=O)NC1CCCC1	ZINC000740303077	581661900	/nfs/dbraw/zinc/66/19/00/581661900.db2.gz	GJWZOZKOERJHKB-VIFPVBQESA-N	-1	0	284.337	0.572	20	30		CCEDRM
N#CCN1CCN(C(=O)CC2CCN(C(=O)[O-])CC2)CC1	ZINC000740305168	581662198	/nfs/dbraw/zinc/66/21/98/581662198.db2.gz	FQSUEFKFLCHLSJ-UHFFFAOYSA-N	-1	0	294.355	0.434	20	30		CCEDRM
N#C[C@@H]1CN(C(=O)NC[C@@H]2CCCN(C(=O)[O-])C2)CCO1	ZINC000740306473	581662854	/nfs/dbraw/zinc/66/28/54/581662854.db2.gz	HCOLQBMJBJAJQP-WDEREUQCSA-N	-1	0	296.327	0.310	20	30		CCEDRM
N#CCCCS(=O)(=O)NC[C@@H]1CCCCN1C(=O)[O-]	ZINC000740306372	581663030	/nfs/dbraw/zinc/66/30/30/581663030.db2.gz	FQRFAZCNVLTYTL-JTQLQIEISA-N	-1	0	289.357	0.742	20	30		CCEDRM
N#CCCCCOC(=O)[C@@H]1C[C@H](O)CN1C(=O)[O-]	ZINC000740308353	581663433	/nfs/dbraw/zinc/66/34/33/581663433.db2.gz	XTPHKAUXZBOYDP-IUCAKERBSA-N	-1	0	256.258	0.337	20	30		CCEDRM
N#CCc1cccc(C(=O)NC2CN(C(=O)[O-])C2)c1	ZINC000740310488	581664102	/nfs/dbraw/zinc/66/41/02/581664102.db2.gz	LDYSAIOXDSVVAN-UHFFFAOYSA-N	-1	0	259.265	0.845	20	30		CCEDRM
N#Cc1ccc(C(=O)N2CCC(NC(=O)[O-])CC2)nc1	ZINC000740314370	581664608	/nfs/dbraw/zinc/66/46/08/581664608.db2.gz	VOCTUQLJBWQPIA-UHFFFAOYSA-N	-1	0	274.280	0.825	20	30		CCEDRM
N#Cc1ccsc1NC(=O)CN1CC[C@H](NC(=O)[O-])C1	ZINC000740322502	581665115	/nfs/dbraw/zinc/66/51/15/581665115.db2.gz	VIINJUJYPOVUIX-VIFPVBQESA-N	-1	0	294.336	0.900	20	30		CCEDRM
N#Cc1cccc(OCC(=O)N[C@H]2CCN(C(=O)[O-])C2)c1	ZINC000740324012	581665905	/nfs/dbraw/zinc/66/59/05/581665905.db2.gz	VXNVMHWINOEAFZ-NSHDSACASA-N	-1	0	289.291	0.806	20	30		CCEDRM
C#CCOCCC(=O)[N-]S(=O)(=O)C[C@@H]1CCCCO1	ZINC000756533778	581670399	/nfs/dbraw/zinc/67/03/99/581670399.db2.gz	QNYLXOAJNXDRCO-NSHDSACASA-N	-1	0	289.353	0.041	20	30		CCEDRM
COCCN(CCC(=O)[O-])C(=O)c1ccc(C#N)cn1	ZINC000737800765	581685587	/nfs/dbraw/zinc/68/55/87/581685587.db2.gz	NXBYLOILYMCICX-UHFFFAOYSA-N	-1	0	277.280	0.517	20	30		CCEDRM
C#CCCN1CCN(C(=O)C(C)(C)NC(=O)[O-])CC1	ZINC000736077858	581695424	/nfs/dbraw/zinc/69/54/24/581695424.db2.gz	YNTRIVPLOKMELQ-UHFFFAOYSA-N	-1	0	267.329	0.200	20	30		CCEDRM
C=CCOCC(=O)OCC(=O)c1cc(C(=O)[O-])co1	ZINC000736109220	581701002	/nfs/dbraw/zinc/70/10/02/581701002.db2.gz	BGHJPMFJHCPHNR-UHFFFAOYSA-N	-1	0	268.221	0.906	20	30		CCEDRM
C=CCOCC(=O)N(CCC(=O)[O-])C[C@H]1CCCO1	ZINC000736109767	581702689	/nfs/dbraw/zinc/70/26/89/581702689.db2.gz	YRUAXLSQNHLHKQ-LLVKDONJSA-N	-1	0	271.313	0.671	20	30		CCEDRM
C[C@H](C#N)C(=O)NC[C@@H](Cc1ccc(O)cc1)C(=O)[O-]	ZINC000736203554	581714745	/nfs/dbraw/zinc/71/47/45/581714745.db2.gz	TZJUXJZGCJLJCC-MWLCHTKSSA-N	-1	0	276.292	0.911	20	30		CCEDRM
Cc1nnc(NN=Cc2cnc3ccc(C#N)cn23)[n-]c1=O	ZINC000736426323	581766346	/nfs/dbraw/zinc/76/63/46/581766346.db2.gz	ADNJVGORUWCLPO-UHFFFAOYSA-N	-1	0	294.278	0.851	20	30		CCEDRM
N#CC1(CS(=O)(=O)[N-]C(=O)C[C@H]2CCCO2)CCC1	ZINC000771077071	581789666	/nfs/dbraw/zinc/78/96/66/581789666.db2.gz	BRDLLAVEUHQHNR-SNVBAGLBSA-N	-1	0	286.353	0.695	20	30		CCEDRM
N#CC1(CS(=O)(=O)[N-]C(=O)[C@H]2CCSC2)CCC1	ZINC000771075811	581789669	/nfs/dbraw/zinc/78/96/69/581789669.db2.gz	AJYIIMIZBDAUEL-VIFPVBQESA-N	-1	0	288.394	0.879	20	30		CCEDRM
C[C@H](NC(=O)C1CCCC1)C(=O)N(CC#N)CC(=O)[O-]	ZINC000736630806	581807281	/nfs/dbraw/zinc/80/72/81/581807281.db2.gz	BXYCJJPTAOOVOK-VIFPVBQESA-N	-1	0	281.312	0.118	20	30		CCEDRM
C[C@H](C#N)C(=O)N[C@@H](c1nnn[n-]1)c1ccccc1	ZINC000736673555	581815351	/nfs/dbraw/zinc/81/53/51/581815351.db2.gz	QTONJNJZAHLPLS-PSASIEDQSA-N	-1	0	256.269	0.565	20	30		CCEDRM
CC(C)[C@@](C)(C#N)NC(=O)[C@H](C)OC(=O)[C@@H]1C[C@@H]1C(=O)[O-]	ZINC000736682068	581817134	/nfs/dbraw/zinc/81/71/34/581817134.db2.gz	CWRXOEUNBIZFTO-LFNDISMMSA-N	-1	0	296.323	0.693	20	30		CCEDRM
C=CCCOCC(=O)[N-]S(=O)(=O)CCOCC	ZINC000732510794	581832769	/nfs/dbraw/zinc/83/27/69/581832769.db2.gz	DXBSRGLHQZKAAP-UHFFFAOYSA-N	-1	0	265.331	0.062	20	30		CCEDRM
CCS(=O)(=O)[N-]C(=O)c1ccc(C=NOC)cc1	ZINC000732607329	581837738	/nfs/dbraw/zinc/83/77/38/581837738.db2.gz	XENXOFORSNWEMM-UHFFFAOYSA-N	-1	0	270.310	0.746	20	30		CCEDRM
C=CCNC(=O)C(C#N)=C([O-])c1cc(C(=O)OC)co1	ZINC000760183525	581848046	/nfs/dbraw/zinc/84/80/46/581848046.db2.gz	MUVAPQFFOGAAEN-SECBINFHSA-N	-1	0	276.248	0.691	20	30		CCEDRM
CC[C@@H](C)[C@H](NC(=O)CN(CC#N)C1CC1)C(=O)[O-]	ZINC000736880834	581863803	/nfs/dbraw/zinc/86/38/03/581863803.db2.gz	ZRMSHPCVJCGZDA-SKDRFNHKSA-N	-1	0	267.329	0.590	20	30		CCEDRM
CC1=CC(=O)C(=C([O-])C=Cc2ccn(C)n2)C(=O)O1	ZINC000773145229	581879439	/nfs/dbraw/zinc/87/94/39/581879439.db2.gz	QBFKIDHLEGKMGM-VSQXVHSFSA-N	-1	0	260.249	0.648	20	30		CCEDRM
C=CCS(=O)(=O)[N-]C(=O)COc1cccc(C#N)c1	ZINC000772716970	581886191	/nfs/dbraw/zinc/88/61/91/581886191.db2.gz	KTVCNSQQZSXQKP-UHFFFAOYSA-N	-1	0	280.305	0.569	20	30		CCEDRM
N#CC(C(=O)NC1CCCC1)=C([O-])c1cncnc1	ZINC000761093915	581888038	/nfs/dbraw/zinc/88/80/38/581888038.db2.gz	PGHQWNFROKKPSX-LLVKDONJSA-N	-1	0	258.281	0.858	20	30		CCEDRM
CS(=O)(=O)CCNN=Cc1cc([N+](=O)[O-])ccc1[O-]	ZINC000733205648	581890766	/nfs/dbraw/zinc/89/07/66/581890766.db2.gz	FMAXVUZLXTZOTI-UHFFFAOYSA-N	-1	0	287.297	0.269	20	30		CCEDRM
CCN(C[C@H](C)C#N)C(=O)COC(=O)[C@H]1C[C@@H]1C(=O)[O-]	ZINC000737078395	581897854	/nfs/dbraw/zinc/89/78/54/581897854.db2.gz	LCAREDAQZKSTLL-UTLUCORTSA-N	-1	0	282.296	0.258	20	30		CCEDRM
CCOc1ncccc1C(=O)N(CC#N)CC(=O)[O-]	ZINC000737219988	581923559	/nfs/dbraw/zinc/92/35/59/581923559.db2.gz	GQSSEZVDMMCKPY-UHFFFAOYSA-N	-1	0	263.253	0.531	20	30		CCEDRM
C=CCN(CC(=O)[O-])C(=O)[C@@H](C)NC(=O)OC(C)(C)C	ZINC000762047190	581929662	/nfs/dbraw/zinc/92/96/62/581929662.db2.gz	CGGDVQCYYYZGJS-SECBINFHSA-N	-1	0	286.328	0.999	20	30		CCEDRM
CCOc1nc(C([O-])=C(C#N)C(=O)NCCCOC)co1	ZINC000773968806	581949737	/nfs/dbraw/zinc/94/97/37/581949737.db2.gz	QAKTWAJEVMOSTM-SECBINFHSA-N	-1	0	295.295	0.548	20	30		CCEDRM
CN(C)c1cccc(C(=O)N(CC#N)CC(=O)[O-])c1	ZINC000737375440	581949831	/nfs/dbraw/zinc/94/98/31/581949831.db2.gz	IFKJTZDSLLRUHR-UHFFFAOYSA-N	-1	0	261.281	0.803	20	30		CCEDRM
C=CCNC(=O)C(C#N)=C([O-])c1coc(OCC)n1	ZINC000773978927	581950959	/nfs/dbraw/zinc/95/09/59/581950959.db2.gz	DOJIWMFBRQGDCZ-QMMMGPOBSA-N	-1	0	263.253	0.698	20	30		CCEDRM
CN(CC(=O)O[C@H](C(N)=O)c1ccc(C#N)cc1)C(=O)[O-]	ZINC000737404258	581953940	/nfs/dbraw/zinc/95/39/40/581953940.db2.gz	YBSUIHKQCQJJKG-NSHDSACASA-N	-1	0	291.263	0.238	20	30		CCEDRM
C=CCN(CC(=O)[O-])C(=O)C1C[C@@H]2COC[C@H](C1)C2=O	ZINC000737527645	581973142	/nfs/dbraw/zinc/97/31/42/581973142.db2.gz	ZZDZVCRVDSBDEV-FGWVZKOKSA-N	-1	0	281.308	0.327	20	30		CCEDRM
CNC(=O)[C@@H](C#N)C(=O)CCc1ccc(C(=O)[O-])cc1	ZINC000737535070	581975046	/nfs/dbraw/zinc/97/50/46/581975046.db2.gz	JZXADFGRGNEYJZ-NSHDSACASA-N	-1	0	274.276	0.772	20	30		CCEDRM
CNC(=O)c1cccc(C(=O)N(CC#N)CC(=O)[O-])c1	ZINC000737545711	581977724	/nfs/dbraw/zinc/97/77/24/581977724.db2.gz	BPNVGLLVXSNORR-UHFFFAOYSA-N	-1	0	275.264	0.097	20	30		CCEDRM
C=CCS(=O)(=O)[N-]C(=O)c1cn2ccc(C)cc2n1	ZINC000763034775	581979305	/nfs/dbraw/zinc/97/93/05/581979305.db2.gz	WTSJIOWDDMJYBA-UHFFFAOYSA-N	-1	0	279.321	0.888	20	30		CCEDRM
C=C(C)[C@H](CC(=O)OCc1n[nH]c(=O)[n-]1)OCC	ZINC000774986472	582007266	/nfs/dbraw/zinc/00/72/66/582007266.db2.gz	UHSNNPIFCRRITI-QMMMGPOBSA-N	-1	0	255.274	0.925	20	30		CCEDRM
CNC(=O)C(C#N)=C([O-])c1cccc(C2OCCO2)c1	ZINC000775228116	582015283	/nfs/dbraw/zinc/01/52/83/582015283.db2.gz	SQOKPCJQIOYWEN-LLVKDONJSA-N	-1	0	274.276	0.800	20	30		CCEDRM
CCOCCO[N-]C(=O)[C@@H](O)c1ccc(C#N)cc1	ZINC000775231980	582015386	/nfs/dbraw/zinc/01/53/86/582015386.db2.gz	DKBYIZQCUARZAS-LBPRGKRZSA-N	-1	0	264.281	0.676	20	30		CCEDRM
CO[C@@H](C)CS(=O)(=O)[N-]C(=O)c1ccc(C#N)nc1	ZINC000764205243	582036117	/nfs/dbraw/zinc/03/61/17/582036117.db2.gz	ALZWZGUDVMTAGU-QMMMGPOBSA-N	-1	0	283.309	0.048	20	30		CCEDRM
N#C[C@H]1CN(C(=O)C2CCN(C(=O)[O-])CC2)CCO1	ZINC000738421437	582047678	/nfs/dbraw/zinc/04/76/78/582047678.db2.gz	DJMLCFMZUWFJTC-JTQLQIEISA-N	-1	0	267.285	0.127	20	30		CCEDRM
N#C[C@H]1CN(C(=O)Nc2nc(CC(=O)[O-])cs2)CCO1	ZINC000738421424	582047820	/nfs/dbraw/zinc/04/78/20/582047820.db2.gz	DAYVEEKFKUFZNV-QMMMGPOBSA-N	-1	0	296.308	0.526	20	30		CCEDRM
N#CCCCCS(=O)(=O)N(CCC(=O)[O-])C1CC1	ZINC000738428512	582048325	/nfs/dbraw/zinc/04/83/25/582048325.db2.gz	ONKPQJZMKURFBP-UHFFFAOYSA-N	-1	0	274.342	0.949	20	30		CCEDRM
N#Cc1nc(C2CC2)oc1N1CCN(CC(=O)[O-])CC1	ZINC000738434780	582049127	/nfs/dbraw/zinc/04/91/27/582049127.db2.gz	CKVLHLZVRLTIDY-UHFFFAOYSA-N	-1	0	276.296	0.630	20	30		CCEDRM
COc1ccc(C(=O)[N-]S(=O)(=O)CC(C)(C)C#N)cn1	ZINC000776141981	582054053	/nfs/dbraw/zinc/05/40/53/582054053.db2.gz	DMYIZQQAGLKHDG-UHFFFAOYSA-N	-1	0	297.336	0.700	20	30		CCEDRM
C#Cc1ccc(C(=O)N2CCN(C(=O)[O-])C[C@H]2C)cn1	ZINC000738468442	582054455	/nfs/dbraw/zinc/05/44/55/582054455.db2.gz	WCEMBTHCPVLFRZ-SNVBAGLBSA-N	-1	0	273.292	0.887	20	30		CCEDRM
CCO[C@@H](C)C(=O)[N-]S(=O)(=O)CC(C)(C)C#N	ZINC000776145984	582054541	/nfs/dbraw/zinc/05/45/41/582054541.db2.gz	JFCQXVTWRFQXAY-QMMMGPOBSA-N	-1	0	262.331	0.407	20	30		CCEDRM
CC(C)(C#N)CS(=O)(=O)[N-]C(=O)c1cocn1	ZINC000776146256	582055028	/nfs/dbraw/zinc/05/50/28/582055028.db2.gz	LMNWNFLWUIXBSJ-UHFFFAOYSA-N	-1	0	257.271	0.284	20	30		CCEDRM
C=CCNC(=S)N1CC[C@@H](CN(C)C(=O)[O-])C1	ZINC000738491447	582056116	/nfs/dbraw/zinc/05/61/16/582056116.db2.gz	LHADRAMZDCHOOR-VIFPVBQESA-N	-1	0	257.359	0.979	20	30		CCEDRM
C=CCSCCNC(=O)N1CC[C@H](NC(=O)[O-])C1	ZINC000738506009	582057300	/nfs/dbraw/zinc/05/73/00/582057300.db2.gz	VVAXXALFETUGFZ-VIFPVBQESA-N	-1	0	273.358	0.957	20	30		CCEDRM
CC(C)(C(=O)OCC#N)N1CCN(C(=O)[O-])CC1	ZINC000738662334	582069262	/nfs/dbraw/zinc/06/92/62/582069262.db2.gz	QBSLDKTVVPIGDN-UHFFFAOYSA-N	-1	0	255.274	0.127	20	30		CCEDRM
CC(C)(CC(=O)N1CCN(C2CC2)[C@@H](C#N)C1)NC(=O)[O-]	ZINC000738729648	582072361	/nfs/dbraw/zinc/07/23/61/582072361.db2.gz	BXMGNJJJHOKNNI-NSHDSACASA-N	-1	0	294.355	0.621	20	30		CCEDRM
CC(C)(CC(=O)NC1(C#N)CCOCC1)NC(=O)[O-]	ZINC000738732568	582072428	/nfs/dbraw/zinc/07/24/28/582072428.db2.gz	NCGKDTJCVLLDFZ-UHFFFAOYSA-N	-1	0	269.301	0.612	20	30		CCEDRM
Cc1ncc(CO)c(/C=N/C[C@H](C)C(=O)[O-])c1O	ZINC000738885713	582085379	/nfs/dbraw/zinc/08/53/79/582085379.db2.gz	TVVYWYNMBQIKID-PBUYIFKYSA-N	-1	0	252.270	0.728	20	30		CCEDRM
N#C[C@H](C(=O)[C@H]1C[C@@H]1C(=O)[O-])C(=O)N1CCCC1	ZINC000739073260	582100921	/nfs/dbraw/zinc/10/09/21/582100921.db2.gz	CCKVHDHQKRJXKN-XHNCKOQMSA-N	-1	0	250.254	0.038	20	30		CCEDRM
N#C[C@@H](C(=O)CCCNC(=O)[O-])C(=O)N1CCCC1	ZINC000739073504	582101271	/nfs/dbraw/zinc/10/12/71/582101271.db2.gz	CVMOZURHSQZOPF-VIFPVBQESA-N	-1	0	267.285	0.365	20	30		CCEDRM
N#CCN(CC(=O)[O-])C(=O)CNc1ccccc1[N+](=O)[O-]	ZINC000739078737	582101640	/nfs/dbraw/zinc/10/16/40/582101640.db2.gz	LTBCHTRIORTBKN-UHFFFAOYSA-N	-1	0	292.251	0.443	20	30		CCEDRM
Cn1cc(C#N)cc1C(=O)N1CCN(C(=O)[O-])CC1	ZINC000830985859	603526410	/nfs/dbraw/zinc/52/64/10/603526410.db2.gz	ZTXHHXFZWOISJP-UHFFFAOYSA-N	-1	0	262.269	0.333	20	30		CCEDRM
C#C[C@H](C)N(C)C(=O)CCCn1ccc(C(=O)[O-])n1	ZINC000911384927	613113423	/nfs/dbraw/zinc/11/34/23/613113423.db2.gz	LGWXFHGCTHMMDF-JTQLQIEISA-N	-1	0	263.297	0.842	20	30		CCEDRM
C[C@H](NC(=O)C(=O)Nc1ccc(C#N)cc1Cl)C(=O)[O-]	ZINC000818017718	597326565	/nfs/dbraw/zinc/32/65/65/597326565.db2.gz	FATSJYKCRCSILA-LURJTMIESA-N	-1	0	295.682	0.739	20	30		CCEDRM
Cc1cc(COC(=O)[C@@](C)(C#N)CC(=O)[O-])ncn1	ZINC000820976346	597603909	/nfs/dbraw/zinc/60/39/09/597603909.db2.gz	BZYRPJDFHSZQKB-GFCCVEGCSA-N	-1	0	263.253	0.833	20	30		CCEDRM
C[C@](C#N)(CC(=O)[O-])C(=O)OCC(=O)NCC(F)(F)F	ZINC000819865156	597612976	/nfs/dbraw/zinc/61/29/76/597612976.db2.gz	IEFLMHNQRVUKOG-SECBINFHSA-N	-1	0	296.201	0.213	20	30		CCEDRM
Cc1nccn1CCOC(=O)[C@](C)(C#N)CC(=O)[O-]	ZINC000821196751	597616702	/nfs/dbraw/zinc/61/67/02/597616702.db2.gz	MKUHGHLDXZVFLQ-LBPRGKRZSA-N	-1	0	265.269	0.739	20	30		CCEDRM
C[C@@](C#N)(CC(=O)[O-])C(=O)OCc1nc(C2CC2)no1	ZINC000819875167	597617179	/nfs/dbraw/zinc/61/71/79/597617179.db2.gz	UZIILEJDXJZGBX-LBPRGKRZSA-N	-1	0	279.252	0.995	20	30		CCEDRM
Cc1nnc([C@H](C)OC(=O)[C@](C)(C#N)CC(=O)[O-])o1	ZINC000821216874	597618008	/nfs/dbraw/zinc/61/80/08/597618008.db2.gz	RIPPJPFZKPOHFK-KGFZYKRKSA-N	-1	0	267.241	0.987	20	30		CCEDRM
C[C@](C#N)(CC(=O)[O-])C(=O)OCC[C@@H]1CCOC1=O	ZINC000819865430	597622830	/nfs/dbraw/zinc/62/28/30/597622830.db2.gz	LDEJUWQWWOTEJS-QPUJVOFHSA-N	-1	0	269.253	0.487	20	30		CCEDRM
C[C@@](C#N)(CC(=O)[O-])C(=O)NCc1nnc2n1CCCC2	ZINC000819847710	597636295	/nfs/dbraw/zinc/63/62/95/597636295.db2.gz	OEHNINBHICUHRR-ZDUSSCGKSA-N	-1	0	291.311	0.235	20	30		CCEDRM
C[C@](C#N)(CC(=O)[O-])C(=O)N[C@@H]1CCc2n[nH]cc2C1	ZINC000819833308	597646878	/nfs/dbraw/zinc/64/68/78/597646878.db2.gz	FTMLOLKFEHLIKY-NOZJJQNGSA-N	-1	0	276.296	0.388	20	30		CCEDRM
C[C@@](C#N)(CC(=O)[O-])C(=O)N1CCn2ccnc2C1	ZINC000819821950	597646904	/nfs/dbraw/zinc/64/69/04/597646904.db2.gz	KMZRWYPRSCMBGT-LBPRGKRZSA-N	-1	0	262.269	0.230	20	30		CCEDRM
Cc1nc2n(c1C)CCN(C(=O)[C@@](C)(C#N)CC(=O)[O-])C2	ZINC000821182349	597648802	/nfs/dbraw/zinc/64/88/02/597648802.db2.gz	TYWHMMQWHOXAPR-CQSZACIVSA-N	-1	0	290.323	0.847	20	30		CCEDRM
C[C@H](CNC(=O)[C@](C)(C#N)CC(=O)[O-])CN1CCOCC1	ZINC000820095966	597648806	/nfs/dbraw/zinc/64/88/06/597648806.db2.gz	XRVFQYGFTMRSHY-RISCZKNCSA-N	-1	0	297.355	0.075	20	30		CCEDRM
C[C@](C#N)(CC(=O)[O-])C(=O)N1CC[C@@](O)(C(F)(F)F)C1	ZINC000819811908	597649497	/nfs/dbraw/zinc/64/94/97/597649497.db2.gz	WSHXETITDINJGV-ZJUUUORDSA-N	-1	0	294.229	0.517	20	30		CCEDRM
Cc1ccc([C@H](O)CNC(=O)[C@@](C)(C#N)CC(=O)[O-])o1	ZINC000821069400	597650908	/nfs/dbraw/zinc/65/09/08/597650908.db2.gz	ABMIPXKMFZPFBC-NOZJJQNGSA-N	-1	0	280.280	0.742	20	30		CCEDRM
C[C@@](C#N)(CC(=O)[O-])C(=O)N[C@H](CO)CC(F)(F)F	ZINC000819822521	597662634	/nfs/dbraw/zinc/66/26/34/597662634.db2.gz	OPAFMIIUBUSDRQ-RCOVLWMOSA-N	-1	0	282.218	0.420	20	30		CCEDRM
C[C@@H](C(=O)[O-])N(C)C(=O)[C@@H](O)c1ccc(C#N)cc1	ZINC000819889144	597667835	/nfs/dbraw/zinc/66/78/35/597667835.db2.gz	LRAGALBYIPWPSG-KWQFWETISA-N	-1	0	262.265	0.523	20	30		CCEDRM
C=C(Br)CN(CCNC(C)=O)[C@@H](C)C(=O)[O-]	ZINC000819705753	597677353	/nfs/dbraw/zinc/67/73/53/597677353.db2.gz	DDCWCFAQVWJTGG-QMMMGPOBSA-N	-1	0	293.161	0.806	20	30		CCEDRM
NC(=O)c1ccc(N=NC2CCC(C(=O)[O-])CC2)nn1	ZINC000814869966	598097113	/nfs/dbraw/zinc/09/71/13/598097113.db2.gz	HMDXZXSSOCOTSZ-UHFFFAOYSA-N	-1	0	277.284	0.618	20	30		CCEDRM
Cc1onc(CC(=O)N2CCC[C@@H]2C(=O)[O-])c1C#N	ZINC000821256923	598220522	/nfs/dbraw/zinc/22/05/22/598220522.db2.gz	CXBQEHAMOFYYCF-SNVBAGLBSA-N	-1	0	263.253	0.473	20	30		CCEDRM
C[C@@](C#N)(CC(=O)[O-])C(=O)Nc1cc(C(N)=O)ccc1F	ZINC000819847473	598224171	/nfs/dbraw/zinc/22/41/71/598224171.db2.gz	MSRXTIXKWFLJEY-ZDUSSCGKSA-N	-1	0	293.254	0.868	20	30		CCEDRM
C[C@](C#N)(CC(=O)[O-])C(=O)NC[C@H]1CCCCO1	ZINC000819833443	598225224	/nfs/dbraw/zinc/22/52/24/598225224.db2.gz	HBDGLEVHUWDJOK-BXKDBHETSA-N	-1	0	254.286	0.676	20	30		CCEDRM
C[C@](C#N)(CC(=O)[O-])C(=O)NCc1cscn1	ZINC000819848411	598225757	/nfs/dbraw/zinc/22/57/57/598225757.db2.gz	SKOZJQNOWMSLQI-SNVBAGLBSA-N	-1	0	253.283	0.764	20	30		CCEDRM
C[C@](C#N)(CC(=O)[O-])C(=O)Nc1ccc(C(N)=O)c(F)c1	ZINC000819849251	598226360	/nfs/dbraw/zinc/22/63/60/598226360.db2.gz	YHOMMQGKWOAFPB-CYBMUJFWSA-N	-1	0	293.254	0.868	20	30		CCEDRM
Cc1nc2n(n1)C[C@@H](NC(=O)[C@](C)(C#N)CC(=O)[O-])CC2	ZINC000821181847	598226400	/nfs/dbraw/zinc/22/64/00/598226400.db2.gz	MAOSXWMBKVVDPV-ZANVPECISA-N	-1	0	291.311	0.022	20	30		CCEDRM
Cc1nsc(NC(=O)[C@](C)(C#N)CC(=O)[O-])n1	ZINC000821248840	598229146	/nfs/dbraw/zinc/22/91/46/598229146.db2.gz	XQEPKHUDUQSWPS-VIFPVBQESA-N	-1	0	254.271	0.790	20	30		CCEDRM
C#CCO[C@@H](C)C(=O)[N-]S(=O)(=O)CC(C)(C)CC	ZINC000870661195	612996709	/nfs/dbraw/zinc/99/67/09/612996709.db2.gz	PMTOUKMVUXVRGZ-JTQLQIEISA-N	-1	0	275.370	0.907	20	30		CCEDRM
C#CCO[C@@H](C)C(=O)N[C@@H](CCCC=C)C(=O)[O-]	ZINC000910915778	612996985	/nfs/dbraw/zinc/99/69/85/612996985.db2.gz	ASZZSHKHPIIMCL-QWRGUYRKSA-N	-1	0	253.298	0.950	20	30		CCEDRM
C#CCO[C@H](C)C(=O)[N-]S(=O)(=O)c1cc(C)ccn1	ZINC000835161494	613002263	/nfs/dbraw/zinc/00/22/63/613002263.db2.gz	QZVJYZONNZEAEZ-SNVBAGLBSA-N	-1	0	282.321	0.233	20	30		CCEDRM
C#CCO[C@H](C)C(=O)N1C[C@@H]2CCC[C@H]2[C@H]1C(=O)[O-]	ZINC000909675942	613000801	/nfs/dbraw/zinc/00/08/01/613000801.db2.gz	AHGVFRLOWORXPS-KXNHARMFSA-N	-1	0	265.309	0.736	20	30		CCEDRM
C#CCO[C@H](C)C(=O)N[C@@H](C(=O)[O-])[C@H]1CCCOC1	ZINC000909538729	613002358	/nfs/dbraw/zinc/00/23/58/613002358.db2.gz	MWTCFPYOYBLEKC-OUAUKWLOSA-N	-1	0	269.297	0.021	20	30		CCEDRM
Cc1nc(-c2nnn[n-]2)c(N=NCc2cc[nH]c2)o1	ZINC000822424236	599664320	/nfs/dbraw/zinc/66/43/20/599664320.db2.gz	UTBVRZCOEFPZNQ-UHFFFAOYSA-N	-1	0	258.245	0.937	20	30		CCEDRM
C[C@@H](CC#N)N(C)S(=O)(=O)c1ccc(C(=O)[O-])o1	ZINC000063087671	599778417	/nfs/dbraw/zinc/77/84/17/599778417.db2.gz	ILVKSVITUCKKLH-ZETCQYMHSA-N	-1	0	272.282	0.900	20	30		CCEDRM
C#CCNC(=O)CN1Cc2ccccc2C[C@@H]1C(=O)[O-]	ZINC000061448881	600031480	/nfs/dbraw/zinc/03/14/80/600031480.db2.gz	AFADKRZGDBAMHI-CYBMUJFWSA-N	-1	0	272.304	0.247	20	30		CCEDRM
C#CCCNC(=O)Nc1ccc(C(=O)NCC(=O)[O-])cc1	ZINC000070246834	600224888	/nfs/dbraw/zinc/22/48/88/600224888.db2.gz	AXPTWJPHVYNBSM-UHFFFAOYSA-N	-1	0	289.291	0.646	20	30		CCEDRM
C#CCSCCNS(=O)(=O)CCCC(=O)[O-]	ZINC000231938560	600589256	/nfs/dbraw/zinc/58/92/56/600589256.db2.gz	NLGZUSIPXQIZIG-UHFFFAOYSA-N	-1	0	265.356	0.137	20	30		CCEDRM
C#CCCNS(=O)(=O)c1ccc(C(=O)[O-])cc1C	ZINC000384933672	600652174	/nfs/dbraw/zinc/65/21/74/600652174.db2.gz	ARLTZFWFDTYHNV-UHFFFAOYSA-N	-1	0	267.306	0.995	20	30		CCEDRM
N#CCN(CCOc1cccc([N+](=O)[O-])c1)CC(=O)[O-]	ZINC000833066564	601003391	/nfs/dbraw/zinc/00/33/91/601003391.db2.gz	BFWCUYRVZORGFA-UHFFFAOYSA-N	-1	0	279.252	0.884	20	30		CCEDRM
N#CCN(CCS(=O)(=O)c1ccccc1)CC(=O)[O-]	ZINC000833067071	601003412	/nfs/dbraw/zinc/00/34/12/601003412.db2.gz	PKRSUGZZTUSTQP-UHFFFAOYSA-N	-1	0	282.321	0.370	20	30		CCEDRM
C[C@H](OC(=O)C1(C#N)CCCCC1)C(=O)NCC(=O)[O-]	ZINC000827810723	601118889	/nfs/dbraw/zinc/11/88/89/601118889.db2.gz	OYXHQHROUGQGCI-VIFPVBQESA-N	-1	0	282.296	0.593	20	30		CCEDRM
C#CCNS(=O)(=O)c1ccc(/C=C\C(=O)[O-])cc1	ZINC000199923463	601207785	/nfs/dbraw/zinc/20/77/85/601207785.db2.gz	ZJMUUHTVTPYZSP-YVMONPNESA-N	-1	0	265.290	0.696	20	30		CCEDRM
N#CCNC(=O)CNc1cccc(F)c1C(=O)[O-]	ZINC000833067009	601391561	/nfs/dbraw/zinc/39/15/61/601391561.db2.gz	NXFBXXIJLFNGAR-UHFFFAOYSA-N	-1	0	251.217	0.576	20	30		CCEDRM
N#Cc1ccc([C@@H](C(=O)[O-])N2CCO[C@@H](CO)C2)cc1	ZINC000833071029	601427230	/nfs/dbraw/zinc/42/72/30/601427230.db2.gz	CPGNJFUMVRBXLZ-OLZOCXBDSA-N	-1	0	276.292	0.377	20	30		CCEDRM
C=C(C)CN(CC)C(=O)CN1CCOC[C@@H]1C(=O)[O-]	ZINC000088381165	601558058	/nfs/dbraw/zinc/55/80/58/601558058.db2.gz	YFDNYSDLWMPSLR-LLVKDONJSA-N	-1	0	270.329	0.196	20	30		CCEDRM
C[C@H]1CN(C(=O)c2cc(C#N)cn2C)C[C@H]1C(=O)[O-]	ZINC000828386837	601694208	/nfs/dbraw/zinc/69/42/08/601694208.db2.gz	OSSPGPONAHVNDG-WCBMZHEXSA-N	-1	0	261.281	0.689	20	30		CCEDRM
C[C@@H](CS(=O)(=O)OCC(F)(F)F)C(=O)[O-]	ZINC000827569781	601770627	/nfs/dbraw/zinc/77/06/27/601770627.db2.gz	ALNVHCLKGBLNER-BYPYZUCNSA-N	-1	0	250.194	0.616	20	30		CCEDRM
O=C([O-])c1cc(C=NNc2ncnc3[nH]cnc32)c[nH]1	ZINC000814813981	601797056	/nfs/dbraw/zinc/79/70/56/601797056.db2.gz	RIEXSEOOXMGSAV-UHFFFAOYSA-N	-1	0	271.240	0.825	20	30		CCEDRM
N#Cc1ccc([C@@H](O)CN2CCO[C@H](C(=O)[O-])C2)cc1	ZINC000819095845	602016779	/nfs/dbraw/zinc/01/67/79/602016779.db2.gz	MUEMAEKSRDSEJK-STQMWFEESA-N	-1	0	276.292	0.377	20	30		CCEDRM
C#CCNC(=O)[C@@H](C)OC(=O)c1ccc(C(=O)[O-])c(F)c1	ZINC000825619318	612949209	/nfs/dbraw/zinc/94/92/09/612949209.db2.gz	KKVCZPCREGLLIX-MRVPVSSYSA-N	-1	0	293.250	0.819	20	30		CCEDRM
O=C([O-])CCCNC(=O)C#Cc1ccc2c(c1)OCO2	ZINC000819413751	602285494	/nfs/dbraw/zinc/28/54/94/602285494.db2.gz	YKOOPZGAVFWTJO-UHFFFAOYSA-N	-1	0	275.260	0.748	20	30		CCEDRM
C#CC1(NC(=O)[C@H]2CC[C@H](C(=O)[O-])O2)CCCC1	ZINC000887316362	612950091	/nfs/dbraw/zinc/95/00/91/612950091.db2.gz	OVDOCCKMNYJJHG-NXEZZACHSA-N	-1	0	251.282	0.681	20	30		CCEDRM
C#CC1(NC(=O)[C@@H]2CC[C@@H](C(=O)[O-])O2)CCCC1	ZINC000887316363	612950287	/nfs/dbraw/zinc/95/02/87/612950287.db2.gz	OVDOCCKMNYJJHG-UWVGGRQHSA-N	-1	0	251.282	0.681	20	30		CCEDRM
C#CCNC(=O)[C@H](C)OC(=O)[C@@H](NC(=O)[O-])C(C)(C)C	ZINC000823455261	612950824	/nfs/dbraw/zinc/95/08/24/612950824.db2.gz	BIIZFBHHXQCJCI-DTWKUNHWSA-N	-1	0	284.312	0.350	20	30		CCEDRM
C#CCNC(=O)[C@H](C)OC(=O)[C@H]1CCC[C@@H](C(=O)[O-])C1	ZINC000825618332	612951151	/nfs/dbraw/zinc/95/11/51/612951151.db2.gz	AABPZMBQAHIZNM-AXFHLTTASA-N	-1	0	281.308	0.559	20	30		CCEDRM
N#C[C@@H]1CN(C(=O)[C@H]2CC[C@@H](NC(=O)[O-])C2)CCO1	ZINC000831076571	603579124	/nfs/dbraw/zinc/57/91/24/603579124.db2.gz	PDTSICYHURYMMM-IVZWLZJFSA-N	-1	0	267.285	0.174	20	30		CCEDRM
C[C@@H]1OC(C)(C)N(C(=O)[O-])[C@@H]1C(=O)N1CCO[C@H](C#N)C1	ZINC000826101772	603761677	/nfs/dbraw/zinc/76/16/77/603761677.db2.gz	QDNUZMBSYQONBW-AEJSXWLSSA-N	-1	0	297.311	0.241	20	30		CCEDRM
N#C[C@@H]1CCC[C@@H]1NC(=O)COCCNC(=O)[O-]	ZINC000831077140	603959854	/nfs/dbraw/zinc/95/98/54/603959854.db2.gz	WWEIZXUUPPIGPC-IUCAKERBSA-N	-1	0	255.274	0.079	20	30		CCEDRM
C[C@@H](CC(=O)O[C@@H](C)C(=O)N(C)CCC#N)NC(=O)[O-]	ZINC000824720519	603962684	/nfs/dbraw/zinc/96/26/84/603962684.db2.gz	OIQYMHRGYMIHIN-IUCAKERBSA-N	-1	0	285.300	0.336	20	30		CCEDRM
N#CCN(CC#N)C(=O)[C@H]1CC[C@H](NC(=O)[O-])C1	ZINC000831097543	603964863	/nfs/dbraw/zinc/96/48/63/603964863.db2.gz	KMSNPEDYZVOEFA-IUCAKERBSA-N	-1	0	250.258	0.298	20	30		CCEDRM
C#CCNC(=O)[C@H](C)ON=C(N)[C@H](CC(C)C)NC(=O)[O-]	ZINC000823455482	612952000	/nfs/dbraw/zinc/95/20/00/612952000.db2.gz	CVLKTWNEZOLRGR-UWVGGRQHSA-N	-1	0	298.343	0.305	20	30		CCEDRM
N#CCn1cc(NC(=O)[C@]2(F)CCN(C(=O)[O-])C2)cn1	ZINC000831109741	603991784	/nfs/dbraw/zinc/99/17/84/603991784.db2.gz	SCSZORSYFKUIID-NSHDSACASA-N	-1	0	281.247	0.437	20	30		CCEDRM
N#C[C@H]1CCC[C@H]1NC(=O)CC1CN(C(=O)[O-])C1	ZINC000831077320	604029931	/nfs/dbraw/zinc/02/99/31/604029931.db2.gz	ZDVLVGXBZAHTOA-NXEZZACHSA-N	-1	0	251.286	0.795	20	30		CCEDRM
N#Cc1ccc(Cn2nnnc2CNC(=O)[O-])cc1	ZINC000831132043	604031444	/nfs/dbraw/zinc/03/14/44/604031444.db2.gz	KXKYSUUERAVNPN-UHFFFAOYSA-N	-1	0	258.241	0.361	20	30		CCEDRM
C[C@H](C(=O)N1CCN(C(=O)[O-])C[C@@H]1C#N)C1CC1	ZINC000823668707	604066705	/nfs/dbraw/zinc/06/67/05/604066705.db2.gz	GKEPTGYVEQZJAX-WPRPVWTQSA-N	-1	0	251.286	0.747	20	30		CCEDRM
Cc1c[nH]cc1C(=O)N1CCN(C(=O)[O-])C[C@@H]1C#N	ZINC000829889661	604069114	/nfs/dbraw/zinc/06/91/14/604069114.db2.gz	UBGIBRLYAIYCLT-VIFPVBQESA-N	-1	0	262.269	0.651	20	30		CCEDRM
Cc1cc(C)n(CC(=O)N2CCN(C(=O)[O-])C[C@@H]2C#N)n1	ZINC000830018075	604069341	/nfs/dbraw/zinc/06/93/41/604069341.db2.gz	UIPLVGNOGIDRIP-NSHDSACASA-N	-1	0	291.311	0.214	20	30		CCEDRM
CN(C[C@H]1CCCN1CC(=O)NCCC#N)C(=O)[O-]	ZINC000828222566	604094468	/nfs/dbraw/zinc/09/44/68/604094468.db2.gz	CKRHUFKGXQTLND-SNVBAGLBSA-N	-1	0	268.317	0.090	20	30		CCEDRM
N#C[C@H](C(=O)NC1CC1)C(=O)[C@H]1CCC[C@H](NC(=O)[O-])C1	ZINC000831064692	604223185	/nfs/dbraw/zinc/22/31/85/604223185.db2.gz	LIOKMYQRAQREQF-LSJOCFKGSA-N	-1	0	293.323	0.800	20	30		CCEDRM
C[C@H](CN(C)C(=O)[O-])C(=O)[C@H](C#N)C(=O)NC1CCCC1	ZINC000824825073	604252851	/nfs/dbraw/zinc/25/28/51/604252851.db2.gz	PZOHTFMWEQYWRY-KOLCDFICSA-N	-1	0	295.339	1.000	20	30		CCEDRM
C[C@@H]1CC[C@H](C(=O)N2CCN(C(=O)[O-])C[C@@H]2C#N)O1	ZINC000825866898	604391219	/nfs/dbraw/zinc/39/12/19/604391219.db2.gz	TWKRFWUPSOPRAJ-KXUCPTDWSA-N	-1	0	267.285	0.268	20	30		CCEDRM
N#CCN(CC(=O)[O-])C(=O)c1cc(F)c([N+](=O)[O-])cc1F	ZINC000833065776	604433858	/nfs/dbraw/zinc/43/38/58/604433858.db2.gz	HTVGFUBTGTYRPD-UHFFFAOYSA-N	-1	0	299.189	0.923	20	30		CCEDRM
N#Cc1ccnc(N2CC[C@@H](CNC(=O)[O-])C2)c1[N+](=O)[O-]	ZINC000831156656	604441843	/nfs/dbraw/zinc/44/18/43/604441843.db2.gz	GBCZPMFYAKFAKH-QMMMGPOBSA-N	-1	0	291.267	0.955	20	30		CCEDRM
C[C@@H](NC(=O)[O-])[C@@H]1CN(c2cccc(C#N)n2)CCO1	ZINC000825372623	604452259	/nfs/dbraw/zinc/45/22/59/604452259.db2.gz	PNKIWOZGVOXDJI-KOLCDFICSA-N	-1	0	276.296	0.815	20	30		CCEDRM
C[C@@H](NC(=O)[O-])[C@H]1CN(c2ccc(C#N)nc2)CCO1	ZINC000825372714	604453019	/nfs/dbraw/zinc/45/30/19/604453019.db2.gz	QLHBOBTXHFJCHL-BXKDBHETSA-N	-1	0	276.296	0.815	20	30		CCEDRM
N#Cc1c(Cn2cc(C(N)=O)cn2)cccc1C(=O)[O-]	ZINC000833760709	604549299	/nfs/dbraw/zinc/54/92/99/604549299.db2.gz	ATWUZUKGYDFEJP-UHFFFAOYSA-N	-1	0	270.248	0.600	20	30		CCEDRM
C=C(C)CN(CC)C(=O)CN[C@@](C)(COC)C(=O)[O-]	ZINC000328487049	604616284	/nfs/dbraw/zinc/61/62/84/604616284.db2.gz	MLOLFZJQYUPMOD-ZDUSSCGKSA-N	-1	0	272.345	0.490	20	30		CCEDRM
C[C@H](NC(=O)[O-])[C@H]1CN(C[C@H](C#N)CCC#N)CCO1	ZINC000825351870	604636395	/nfs/dbraw/zinc/63/63/95/604636395.db2.gz	QDYIZHUPFSQGOG-SDDRHHMPSA-N	-1	0	280.328	0.787	20	30		CCEDRM
N#C[C@@H]1CN(CC(=O)Nc2ccc(C(=O)[O-])cc2)CCO1	ZINC000833062940	604763015	/nfs/dbraw/zinc/76/30/15/604763015.db2.gz	RJEZIGKLXYRIBV-GFCCVEGCSA-N	-1	0	289.291	0.548	20	30		CCEDRM
C#CC[C@@H](NC(=O)c1cc(C(F)(F)F)ncn1)C(=O)[O-]	ZINC000910048563	613041593	/nfs/dbraw/zinc/04/15/93/613041593.db2.gz	MOEBTKRFLXWHQN-ZCFIWIBFSA-N	-1	0	287.197	0.702	20	30		CCEDRM
C[C@@H](C(=O)[O-])n1cccc1C=NN1C(=O)CNC1=O	ZINC000833406123	605040819	/nfs/dbraw/zinc/04/08/19/605040819.db2.gz	BRXXFXYJRSTEGT-ZETCQYMHSA-N	-1	0	264.241	0.019	20	30		CCEDRM
C[C@@H](C(=O)[O-])n1cccc1CN=Nc1nccn(C)c1=O	ZINC000833405507	605040861	/nfs/dbraw/zinc/04/08/61/605040861.db2.gz	FEFBFVWKWSJBJZ-VIFPVBQESA-N	-1	0	289.295	0.673	20	30		CCEDRM
N#CCCN(CCC#N)CN1C[C@@H](C(=O)[O-])CC1=O	ZINC000833760189	605169480	/nfs/dbraw/zinc/16/94/80/605169480.db2.gz	JVARCANSAPNTQF-JTQLQIEISA-N	-1	0	264.285	0.006	20	30		CCEDRM
C[C@]1(C#N)CCCN(CN2C[C@@H](C(=O)[O-])CC2=O)C1	ZINC000833551612	605351060	/nfs/dbraw/zinc/35/10/60/605351060.db2.gz	RBJRZBSPAPFQAH-GXFFZTMASA-N	-1	0	265.313	0.503	20	30		CCEDRM
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N#CCCCNC(=O)NC[C@H]1CCCN1C(=O)[O-]	ZINC000833967551	605385906	/nfs/dbraw/zinc/38/59/06/605385906.db2.gz	FSJZLCKHXYXUTI-SECBINFHSA-N	-1	0	254.290	0.732	20	30		CCEDRM
N#CCCCNC(=O)N1CCC[C@H](NC(=O)[O-])C1	ZINC000833967235	605423181	/nfs/dbraw/zinc/42/31/81/605423181.db2.gz	CVMDQDYCNDQHTP-VIFPVBQESA-N	-1	0	254.290	0.732	20	30		CCEDRM
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C#CCCNC(=O)N1CC[C@@H](NC(=O)[O-])C[C@H]1C	ZINC000823444760	613047028	/nfs/dbraw/zinc/04/70/28/613047028.db2.gz	PZDLDNYYEHGGLV-NXEZZACHSA-N	-1	0	253.302	0.840	20	30		CCEDRM
N#C[C@@H]1CN(C(=O)[O-])C[C@@H]1NC[C@H](O)c1ccccc1F	ZINC000833969039	605685219	/nfs/dbraw/zinc/68/52/19/605685219.db2.gz	ZQPWZPAFTBGHSZ-ICCXJUOJSA-N	-1	0	293.298	0.951	20	30		CCEDRM
N#C[C@@H]1CN(C(=O)[O-])C[C@@H]1NC[C@H](O)C(F)(F)F	ZINC000833966315	605685347	/nfs/dbraw/zinc/68/53/47/605685347.db2.gz	KAPZJTUPKSJMCS-VQVTYTSYSA-N	-1	0	267.207	0.001	20	30		CCEDRM
C#CCCNC(=O)N1C[C@H](C)N(C(=O)[O-])C[C@@H]1C	ZINC000833787482	613047407	/nfs/dbraw/zinc/04/74/07/613047407.db2.gz	QNHSBFJLZWJNCZ-UWVGGRQHSA-N	-1	0	253.302	0.792	20	30		CCEDRM
N#C[C@@H]1CN(C(=O)[O-])CCN1C(=O)c1ccc2cc[nH]c2n1	ZINC000833967419	605697790	/nfs/dbraw/zinc/69/77/90/605697790.db2.gz	QZGNTMOATMYTLI-SNVBAGLBSA-N	-1	0	299.290	0.891	20	30		CCEDRM
N#C[C@H](NC(=O)CO[C@H]1CCCN(C(=O)[O-])C1)C1CC1	ZINC000831070333	605712404	/nfs/dbraw/zinc/71/24/04/605712404.db2.gz	JIARKWJYRSIBSH-QWRGUYRKSA-N	-1	0	281.312	0.564	20	30		CCEDRM
N#Cc1ccc(C(=O)NCC2CN(C(=O)[O-])C2)nc1	ZINC000833974524	605749165	/nfs/dbraw/zinc/74/91/65/605749165.db2.gz	VIPXOAYQBGDYBE-UHFFFAOYSA-N	-1	0	260.253	0.293	20	30		CCEDRM
Cc1cc(C(=O)OCC(=O)NCC#N)ccc1NC(=O)[O-]	ZINC000829975836	605835351	/nfs/dbraw/zinc/83/53/51/605835351.db2.gz	HYQSZMVEAZAMRD-UHFFFAOYSA-N	-1	0	291.263	0.882	20	30		CCEDRM
O=C([O-])N[C@H]1CCCC1N=Nc1nc2[nH][nH]cc-2c(=O)n1	ZINC000834167628	605861038	/nfs/dbraw/zinc/86/10/38/605861038.db2.gz	CZYJVJVAOUTIRG-LURJTMIESA-N	-1	0	291.271	0.020	20	30		CCEDRM
N#Cc1nc(NC(=O)[C@H]2[C@@H]3CCCC[C@@H]32)[n-]c1-c1nn[nH]n1	ZINC000822815728	606197088	/nfs/dbraw/zinc/19/70/88/606197088.db2.gz	ZBYLWYCOLUXUMU-QMSLJYSESA-N	-1	0	298.310	0.836	20	30		CCEDRM
C#CCCS(=O)(=O)[N-]C(=O)CCc1nc(C(C)C)no1	ZINC000810786090	613052782	/nfs/dbraw/zinc/05/27/82/613052782.db2.gz	ZSVACQCMVYHACV-UHFFFAOYSA-N	-1	0	299.352	0.595	20	30		CCEDRM
C#CCCS(=O)(=O)[N-]C(=O)CCC(C)(C)C(C)=O	ZINC000810782319	613052822	/nfs/dbraw/zinc/05/28/22/613052822.db2.gz	LUHXOJAHWBBYJD-UHFFFAOYSA-N	-1	0	273.354	0.851	20	30		CCEDRM
C#CCCS(=O)(=O)[N-]C(=O)c1cc(CC)n[nH]1	ZINC000810786840	613053544	/nfs/dbraw/zinc/05/35/44/613053544.db2.gz	ZIMKEOCHZXXTKQ-UHFFFAOYSA-N	-1	0	255.299	0.055	20	30		CCEDRM
C#CC[C@H](NC(=O)[C@@H]1CCCC[C@@H]1OC)C(=O)[O-]	ZINC000910050687	613068873	/nfs/dbraw/zinc/06/88/73/613068873.db2.gz	NPDVXJVDIIXZHJ-VWYCJHECSA-N	-1	0	253.298	0.784	20	30		CCEDRM
C#C[C@@H](CC)NC(=O)Cc1cc(=O)n(CC(C)C)[n-]1	ZINC000935629984	613083085	/nfs/dbraw/zinc/08/30/85/613083085.db2.gz	BIDFDSZCOKBDRP-NSHDSACASA-N	-1	0	263.341	0.903	20	30		CCEDRM
C#CCC(C)(C)C(=O)[N-]S(=O)(=O)CCCC(=O)OC	ZINC000810584032	612965834	/nfs/dbraw/zinc/96/58/34/612965834.db2.gz	JKJMYKPMNONLEM-UHFFFAOYSA-N	-1	0	289.353	0.435	20	30		CCEDRM
CC(C)OC(=O)[C@@H](C)CNC(=O)[C@](C)(C#N)CC(=O)[O-]	ZINC000820030038	613995180	/nfs/dbraw/zinc/99/51/80/613995180.db2.gz	YCPMBDSQRMRMGA-ZANVPECISA-N	-1	0	284.312	0.695	20	30		CCEDRM
CC(C)CCS(=O)(=O)[N-]C(=O)[C@@H](C)n1cnc(C#N)n1	ZINC000798828203	614057731	/nfs/dbraw/zinc/05/77/31/614057731.db2.gz	JYBPJUPMMQFMAM-SECBINFHSA-N	-1	0	299.356	0.203	20	30		CCEDRM
CC(C)CCS(=O)(=O)N1CCN(C(=O)[O-])C[C@H]1C#N	ZINC000824245486	614057770	/nfs/dbraw/zinc/05/77/70/614057770.db2.gz	SSZVRHSYOWTLEN-SNVBAGLBSA-N	-1	0	289.357	0.550	20	30		CCEDRM
CC(C)C[C@H](NC(=O)Cn1ccnc1C#N)C(=O)[O-]	ZINC000833480058	614219411	/nfs/dbraw/zinc/21/94/11/614219411.db2.gz	GBSWBVKUOYBUFD-VIFPVBQESA-N	-1	0	264.285	0.370	20	30		CCEDRM
C#CCCCNC(=O)C(=O)N1CCC(CCC(=O)[O-])CC1	ZINC000851679342	612979088	/nfs/dbraw/zinc/97/90/88/612979088.db2.gz	BKIXQQJBHMAQFY-UHFFFAOYSA-N	-1	0	294.351	0.619	20	30		CCEDRM
C#CCCCNC(=O)C(=O)N1CC[C@@H](C(=O)[O-])[C@H](C)C1	ZINC000861716370	612979369	/nfs/dbraw/zinc/97/93/69/612979369.db2.gz	QRWREVJKFCFGSZ-GHMZBOCLSA-N	-1	0	280.324	0.085	20	30		CCEDRM
CSCCNC(=S)NN=Cc1c[nH]c(C(=O)[O-])c1	ZINC000814892871	617236856	/nfs/dbraw/zinc/23/68/56/617236856.db2.gz	SNTIKGSJIZSZKO-UHFFFAOYSA-N	-1	0	286.382	0.874	20	30		CCEDRM
CSCCO[N-]C(=O)C(=O)NCCCCC#N	ZINC000804720305	617237560	/nfs/dbraw/zinc/23/75/60/617237560.db2.gz	QKOCBRFVZOIPSQ-UHFFFAOYSA-N	-1	0	259.331	0.207	20	30		CCEDRM
CS[C@@H](C)CC(=O)[N-]S(=O)(=O)CC1(C#N)CC1	ZINC000793204689	617265343	/nfs/dbraw/zinc/26/53/43/617265343.db2.gz	PBHLZQYYLCFPPT-QMMMGPOBSA-N	-1	0	276.383	0.878	20	30		CCEDRM
CS[C@H](CO)[C@H](C)NC(=O)[C@@](C)(C#N)CC(=O)[O-]	ZINC000820900422	617276958	/nfs/dbraw/zinc/27/69/58/617276958.db2.gz	VFLSNZHEUXLZOU-VAOFZXAKSA-N	-1	0	274.342	0.220	20	30		CCEDRM
C[C@@H](C#N)C(=O)N1CC[C@](C)([N-]C(=O)C(F)(F)F)C1	ZINC000830820256	617293619	/nfs/dbraw/zinc/29/36/19/617293619.db2.gz	DRWKEGOFFDCMAQ-XVKPBYJWSA-N	-1	0	277.246	0.816	20	30		CCEDRM
C[C@@H](C#N)OC(=O)CO[C@H]1CCCN(C(=O)[O-])C1	ZINC000823646404	617296638	/nfs/dbraw/zinc/29/66/38/617296638.db2.gz	BEJYNDWUVXIRGO-IUCAKERBSA-N	-1	0	256.258	0.601	20	30		CCEDRM
C[C@@H](C#N)OCCN1c2ccccc2C([O-])=CS1(=O)=O	ZINC000902660358	617297569	/nfs/dbraw/zinc/29/75/69/617297569.db2.gz	RLHUQNLDDVSYJD-JTQLQIEISA-N	-1	0	294.332	0.948	20	30		CCEDRM
C#CC1(O)CN(Cc2nc(=O)c3sccc3[n-]2)C1	ZINC000934445560	612961310	/nfs/dbraw/zinc/96/13/10/612961310.db2.gz	PFABTOUDYNHHLC-UHFFFAOYSA-N	-1	0	261.306	0.577	20	30		CCEDRM
C#CC1(O)CN(S(=O)(=O)c2cccc(C(=O)[O-])c2C)C1	ZINC000907128968	612962055	/nfs/dbraw/zinc/96/20/55/612962055.db2.gz	UPGACWYGRAXHQR-UHFFFAOYSA-N	-1	0	295.316	0.062	20	30		CCEDRM
C#CCC1(NC(=O)Cn2[n-]cc3c(=O)ncnc2-3)CCC1	ZINC000886791352	612968857	/nfs/dbraw/zinc/96/88/57/612968857.db2.gz	GDUUQVDURWZFNJ-UHFFFAOYSA-N	-1	0	285.307	0.133	20	30		CCEDRM
C#CCCCCNC(=O)C(=O)N1C[C@@H](C)C[C@H](C(=O)[O-])C1	ZINC000817891693	612977227	/nfs/dbraw/zinc/97/72/27/612977227.db2.gz	NJZRPKTUQYHIQZ-RYUDHWBXSA-N	-1	0	294.351	0.475	20	30		CCEDRM
C#CCCCCNC(=O)N1CCC([C@@H](O)C(=O)[O-])CC1	ZINC000833361797	612977394	/nfs/dbraw/zinc/97/73/94/612977394.db2.gz	MGRUGQQAPGOZFJ-GFCCVEGCSA-N	-1	0	282.340	0.657	20	30		CCEDRM
C#CCCCCNC(=O)[C@H]1C[C@@H](C)[C@H](C(=O)[O-])O1	ZINC000911402106	612978128	/nfs/dbraw/zinc/97/81/28/612978128.db2.gz	YMNPRWUYOLPGMO-GMTAPVOTSA-N	-1	0	253.298	0.784	20	30		CCEDRM
C#CCCCNC(=O)C(=O)N1C[C@@H](C)C[C@H](C(=O)[O-])C1	ZINC000817892611	612979636	/nfs/dbraw/zinc/97/96/36/612979636.db2.gz	VGGKXZKBTNXVRN-QWRGUYRKSA-N	-1	0	280.324	0.085	20	30		CCEDRM
C#CCCCNC(=O)C(=O)Nc1cccc(F)c1C(=O)[O-]	ZINC000833362444	612981018	/nfs/dbraw/zinc/98/10/18/612981018.db2.gz	RUNZLYBVDLWMEC-UHFFFAOYSA-N	-1	0	292.266	0.992	20	30		CCEDRM
C#CCOCCNC(=O)N1CCC[C@@H](C(=O)[O-])C1	ZINC000840988649	612985983	/nfs/dbraw/zinc/98/59/83/612985983.db2.gz	AKQUUTRCEPLYKO-SNVBAGLBSA-N	-1	0	254.286	0.142	20	30		CCEDRM
C#CCOCCNC(=O)[C@@H]1[C@@H]2C=C[C@@H](C2)[C@@H]1C(=O)[O-]	ZINC000887290936	612988665	/nfs/dbraw/zinc/98/86/65/612988665.db2.gz	IRKCGDNGCSIISL-KXNHARMFSA-N	-1	0	263.293	0.275	20	30		CCEDRM
C#CCOCCOC(=O)c1ccccc1[N-]S(C)(=O)=O	ZINC000853885658	612990918	/nfs/dbraw/zinc/99/09/18/612990918.db2.gz	DMMLSYAGZDXAQW-UHFFFAOYSA-N	-1	0	297.332	0.865	20	30		CCEDRM
C#CCO[N-]C(=O)[C@@]1(C)C[C@@H](O)CN1C(=O)OC(C)(C)C	ZINC000912450379	612992678	/nfs/dbraw/zinc/99/26/78/612992678.db2.gz	PXFCDYRWHOAJPA-QMTHXVAHSA-N	-1	0	298.339	0.428	20	30		CCEDRM
C#CCO[N-]C(=O)[C@]1(c2ccccc2)CNC(=O)C1	ZINC000855606644	612993156	/nfs/dbraw/zinc/99/31/56/612993156.db2.gz	MEWUREYOBMKWOR-AWEZNQCLSA-N	-1	0	258.277	0.125	20	30		CCEDRM
C#CCO[N-]C(=O)C1=NN(c2ccccc2)CC1=O	ZINC000812784946	612993643	/nfs/dbraw/zinc/99/36/43/612993643.db2.gz	AGHALSJCKNQSDN-UHFFFAOYSA-N	-1	0	257.249	0.873	20	30		CCEDRM
C#CCO[C@@H](C)C(=O)NC[C@H](CC(=O)[O-])C1CC1	ZINC000909969665	612996597	/nfs/dbraw/zinc/99/65/97/612996597.db2.gz	UEYHMFKRQWCHJP-ONGXEEELSA-N	-1	0	253.298	0.642	20	30		CCEDRM
C#CCO[C@@H](C)C(=O)N[C@H](CC(F)(F)F)C(=O)[O-]	ZINC000909670550	612997302	/nfs/dbraw/zinc/99/73/02/612997302.db2.gz	MMORWFJJFNGUNP-NKWVEPMBSA-N	-1	0	267.203	0.547	20	30		CCEDRM
C#CCO[C@@H](C)C(=O)N[C@](C)(CC(=O)[O-])c1ccccn1	ZINC000911616135	612997627	/nfs/dbraw/zinc/99/76/27/612997627.db2.gz	JOGIDLWHDJSDJW-XHDPSFHLSA-N	-1	0	290.319	0.926	20	30		CCEDRM
C#CCO[C@H](C)C(=O)N1CCCCC[C@H]1C(=O)[O-]	ZINC000910044224	612999450	/nfs/dbraw/zinc/99/94/50/612999450.db2.gz	IYDCAPRMMFHWLQ-MNOVXSKESA-N	-1	0	253.298	0.881	20	30		CCEDRM
C#CCO[C@H](C)C(=O)N1C[C@@H](C)[C@H](CC(=O)[O-])C1	ZINC000910858125	613000647	/nfs/dbraw/zinc/00/06/47/613000647.db2.gz	PYWNYAFGAMKHQO-GMTAPVOTSA-N	-1	0	253.298	0.594	20	30		CCEDRM
C#CCO[C@H](C)C(=O)NCc1ccc(C(=O)[O-])nc1	ZINC000910978979	613001910	/nfs/dbraw/zinc/00/19/10/613001910.db2.gz	BMAHMGXPXZKOCS-SECBINFHSA-N	-1	0	262.265	0.434	20	30		CCEDRM
C#CCO[C@H](C)C(=O)N[C@H](CC(=O)[O-])C(F)(F)F	ZINC000911163638	613003079	/nfs/dbraw/zinc/00/30/79/613003079.db2.gz	ZURKMJWBBHRNOT-RNFRBKRXSA-N	-1	0	267.203	0.547	20	30		CCEDRM
C#CCCN1CCN(C(=O)CC2(NC(=O)[O-])CCC2)CC1	ZINC000823445245	613009109	/nfs/dbraw/zinc/00/91/09/613009109.db2.gz	WPHHQYAGGYXYRX-UHFFFAOYSA-N	-1	0	293.367	0.734	20	30		CCEDRM
C#CC[C@@H](NC(=O)C1(C)CCC(=O)CC1)C(=O)[O-]	ZINC000910051451	613039421	/nfs/dbraw/zinc/03/94/21/613039421.db2.gz	VMWNEWWXQGAUJF-SNVBAGLBSA-N	-1	0	251.282	0.729	20	30		CCEDRM
C#CC[C@@H](NC(=O)c1ccnn1CC(F)(F)F)C(=O)[O-]	ZINC000910050667	613042090	/nfs/dbraw/zinc/04/20/90/613042090.db2.gz	NCIYGFGIKSYRKY-SSDOTTSWSA-N	-1	0	289.213	0.652	20	30		CCEDRM
C#CC[C@@H](NC(=O)c1cn2c(n1)C[C@H](C)CC2)C(=O)[O-]	ZINC000910048598	613042163	/nfs/dbraw/zinc/04/21/63/613042163.db2.gz	NIRZCOKRYLTCKM-NXEZZACHSA-N	-1	0	275.308	0.672	20	30		CCEDRM
C#CC[C@@H](NC(=O)c1cnn(C(C)C)c1C)C(=O)[O-]	ZINC000910047039	613042214	/nfs/dbraw/zinc/04/22/14/613042214.db2.gz	XHLZDXZJIOJKTK-LLVKDONJSA-N	-1	0	263.297	0.979	20	30		CCEDRM
C#CC[C@@H]1CCCN(C(=O)[C@@H]2CC[C@@H](C(=O)[O-])O2)C1	ZINC000851615399	613044780	/nfs/dbraw/zinc/04/47/80/613044780.db2.gz	DFVPSOACEGSXIW-WOPDTQHZSA-N	-1	0	265.309	0.881	20	30		CCEDRM
C#CCCNC(=O)N1CCN(C(=O)[O-])[C@@H](C)[C@@H]1C	ZINC000833786760	613047166	/nfs/dbraw/zinc/04/71/66/613047166.db2.gz	AAEVQIDGSYNQEQ-UWVGGRQHSA-N	-1	0	253.302	0.792	20	30		CCEDRM
C#CCCNS(=O)(=O)c1cccc(CC(=O)[O-])c1	ZINC000871870460	613048159	/nfs/dbraw/zinc/04/81/59/613048159.db2.gz	HYPPWXUBHVMPEN-UHFFFAOYSA-N	-1	0	267.306	0.615	20	30		CCEDRM
C#CCCOC(=O)N1CCC(c2n[nH]c(=O)[n-]2)CC1	ZINC000859170950	613048637	/nfs/dbraw/zinc/04/86/37/613048637.db2.gz	GCYMJIMGDBLGFY-UHFFFAOYSA-N	-1	0	264.285	0.850	20	30		CCEDRM
C#CCCS(=O)(=O)[N-]C(=O)C[C@@H](C)[C@@H]1CCCO1	ZINC000851000584	613053070	/nfs/dbraw/zinc/05/30/70/613053070.db2.gz	XCTCEDJNSVZLBZ-MNOVXSKESA-N	-1	0	273.354	0.661	20	30		CCEDRM
C#CCCS(=O)(=O)[N-]C(=O)[C@@H]1OCCc2ccccc21	ZINC000810783771	613053171	/nfs/dbraw/zinc/05/31/71/613053171.db2.gz	DRBFLFQORGOWTQ-CYBMUJFWSA-N	-1	0	293.344	0.770	20	30		CCEDRM
C#CCCS(=O)(=O)[N-]C(=O)c1cccc2c1OCCO2	ZINC000791111014	613053546	/nfs/dbraw/zinc/05/35/46/613053546.db2.gz	KXOYXZLFSMSPPW-UHFFFAOYSA-N	-1	0	295.316	0.541	20	30		CCEDRM
C#CCCS(=O)(=O)[N-]C(=O)c1ccc(OCC#C)cc1	ZINC000791110633	613053619	/nfs/dbraw/zinc/05/36/19/613053619.db2.gz	GLLOQHOZXVVYRP-UHFFFAOYSA-N	-1	0	291.328	0.782	20	30		CCEDRM
C#CCCS(=O)(=O)[N-]C(=O)c1ccc(N(C)C)cc1F	ZINC000791110977	613053648	/nfs/dbraw/zinc/05/36/48/613053648.db2.gz	JDNBEDXWHFNAIC-UHFFFAOYSA-N	-1	0	298.339	0.975	20	30		CCEDRM
C#CCCS(=O)(=O)[N-]C(=O)c1cncc(F)c1	ZINC000810782969	613053721	/nfs/dbraw/zinc/05/37/21/613053721.db2.gz	YYKXRDNIAJBVKW-UHFFFAOYSA-N	-1	0	256.258	0.304	20	30		CCEDRM
C#CCCS(=O)(=O)[N-]C(=O)c1coc2c1C(=O)CCC2	ZINC000835371474	613053749	/nfs/dbraw/zinc/05/37/49/613053749.db2.gz	JKWXAFUIIFIGGZ-UHFFFAOYSA-N	-1	0	295.316	0.882	20	30		CCEDRM
C#CCCS(=O)(=O)[N-]C(=O)c1cnc2nccnc2c1	ZINC000810781268	613053777	/nfs/dbraw/zinc/05/37/77/613053777.db2.gz	MDJQDPLSMCAYEI-UHFFFAOYSA-N	-1	0	290.304	0.108	20	30		CCEDRM
C#CCCS(=O)(=O)[N-]C(=O)c1cn(C2CCC2)nn1	ZINC000842781108	613053819	/nfs/dbraw/zinc/05/38/19/613053819.db2.gz	ZFKMPXBGCNCKRO-UHFFFAOYSA-N	-1	0	282.325	0.086	20	30		CCEDRM
C#CC[C@H](CO)NC(=O)c1cc(F)c([O-])c(F)c1	ZINC000820055084	613057499	/nfs/dbraw/zinc/05/74/99/613057499.db2.gz	UWGMCKKUHKCXJY-MRVPVSSYSA-N	-1	0	255.220	0.784	20	30		CCEDRM
C#CCC[C@@H](O)CNC(=O)c1cc([O-])ccc1[N+](=O)[O-]	ZINC000803354678	613058573	/nfs/dbraw/zinc/05/85/73/613058573.db2.gz	AMFGSQUFMFDGDG-SNVBAGLBSA-N	-1	0	278.264	0.805	20	30		CCEDRM
C#CCC[C@@H](O)CNC(=O)c1n[n-]c2ccccc2c1=O	ZINC000799080784	613059268	/nfs/dbraw/zinc/05/92/68/613059268.db2.gz	AIPTWXHKCGMPKB-SNVBAGLBSA-N	-1	0	285.303	0.840	20	30		CCEDRM
C#CC[C@H](COC)N=c1nn[n-]n1Cc1ccccc1	ZINC000894830894	613059508	/nfs/dbraw/zinc/05/95/08/613059508.db2.gz	VHJZHXRHZSNCHV-CYBMUJFWSA-N	-1	0	271.324	0.594	20	30		CCEDRM
C#CCN(C(=O)COCc1ocnc1C(=O)[O-])C1CC1	ZINC000911407548	613066197	/nfs/dbraw/zinc/06/61/97/613066197.db2.gz	MVHFSWUBFVTYMV-UHFFFAOYSA-N	-1	0	278.264	0.514	20	30		CCEDRM
C#CC[C@H](NC(=O)Cc1ccc2c(c1)CCO2)C(=O)[O-]	ZINC000910050953	613068273	/nfs/dbraw/zinc/06/82/73/613068273.db2.gz	BHTQEEZRFARDRF-LBPRGKRZSA-N	-1	0	273.288	0.757	20	30		CCEDRM
C#CC[C@H](NC(=O)Nc1cc(CC)nn1C)C(=O)[O-]	ZINC000900336512	613068525	/nfs/dbraw/zinc/06/85/25/613068525.db2.gz	VXNZSUPXWZIPIH-VIFPVBQESA-N	-1	0	264.285	0.581	20	30		CCEDRM
C#CC[C@H](NC(=O)[C@@H](C)c1c(C)n[nH]c1C)C(=O)[O-]	ZINC000910051983	613068543	/nfs/dbraw/zinc/06/85/43/613068543.db2.gz	KLZTYDJBJWSFOZ-XVKPBYJWSA-N	-1	0	263.297	0.723	20	30		CCEDRM
C#CC[C@H](NC(=O)[C@H]1CCO[C@@H](CC)C1)C(=O)[O-]	ZINC000910048981	613069497	/nfs/dbraw/zinc/06/94/97/613069497.db2.gz	QISHDVSHZAGBLL-DCAQKATOSA-N	-1	0	253.298	0.784	20	30		CCEDRM
C#C[C@@H](CO)NC(=O)CCCc1ccc(O)c(F)c1	ZINC000854773672	613086276	/nfs/dbraw/zinc/08/62/76/613086276.db2.gz	LHMIERVYFUWFQV-NSHDSACASA-N	-1	0	265.284	0.964	20	30		CCEDRM
C#C[C@@H](CO)NC(=O)CSc1n[n-]c(=S)s1	ZINC000854772898	613086738	/nfs/dbraw/zinc/08/67/38/613086738.db2.gz	BWEVTTUYOKRXFS-YFKPBYRVSA-N	-1	0	275.380	0.029	20	30		CCEDRM
C#C[C@@H](NC(=O)NCCC(C)(C)C(=O)[O-])[C@@H]1CCCO1	ZINC000818623508	613095622	/nfs/dbraw/zinc/09/56/22/613095622.db2.gz	GUEIDFKCKPJVCR-MNOVXSKESA-N	-1	0	282.340	0.967	20	30		CCEDRM
C#C[C@@H](NC(=O)[C@H]1CC[C@@H](CCC(=O)[O-])O1)[C@@H]1CCCO1	ZINC000911578888	613098588	/nfs/dbraw/zinc/09/85/88/613098588.db2.gz	MJUDLXGISPSLQP-QNWHQSFQSA-N	-1	0	295.335	0.696	20	30		CCEDRM
C#C[C@@H](NC(=O)c1cc(=O)n(C)[n-]1)C1CCOCC1	ZINC000856120602	613098967	/nfs/dbraw/zinc/09/89/67/613098967.db2.gz	YXUIHSOOECZPOU-SNVBAGLBSA-N	-1	0	263.297	0.284	20	30		CCEDRM
C#CCN(CC#CC)C(=O)CC1(C(=O)[O-])CCOCC1	ZINC000864110408	613099538	/nfs/dbraw/zinc/09/95/38/613099538.db2.gz	CYYHSJZLYFNWJR-UHFFFAOYSA-N	-1	0	277.320	0.743	20	30		CCEDRM
C#C[C@@H](OC(=O)Cc1c(C)nc(C)[nH]c1=O)C1CC1	ZINC000133982046	613100695	/nfs/dbraw/zinc/10/06/95/613100695.db2.gz	RCZQDUWPGDNVBS-GFCCVEGCSA-N	-1	0	260.293	0.884	20	30		CCEDRM
C#CCN(CC)Cc1noc(CCCC(=O)[O-])n1	ZINC000825614307	613106654	/nfs/dbraw/zinc/10/66/54/613106654.db2.gz	LLDULJFDQBPSIF-UHFFFAOYSA-N	-1	0	251.286	0.932	20	30		CCEDRM
C#C[C@@H]1COCCN1C(=O)NC[C@@H](C(=O)[O-])C1CCC1	ZINC000854234661	613109938	/nfs/dbraw/zinc/10/99/38/613109938.db2.gz	HEVNNDKNIXNSMU-VXGBXAGGSA-N	-1	0	280.324	0.531	20	30		CCEDRM
C#C[C@@H]1COCCN1C(=O)N[C@H]1CC[C@@H](C(=O)[O-])C1	ZINC000831089330	613110446	/nfs/dbraw/zinc/11/04/46/613110446.db2.gz	XILGSNJFTVQGCB-OUAUKWLOSA-N	-1	0	266.297	0.283	20	30		CCEDRM
C#C[C@@](C)(CC)[N-]S(=O)(=O)c1cc(C(=O)OC)no1	ZINC000867322403	613113063	/nfs/dbraw/zinc/11/30/63/613113063.db2.gz	OCUZKJZSJDAKMR-NSHDSACASA-N	-1	0	286.309	0.541	20	30		CCEDRM
C#C[C@H](C)NS(=O)(=O)c1cc(C)c(C(=O)OC)o1	ZINC000851783880	613118980	/nfs/dbraw/zinc/11/89/80/613118980.db2.gz	HFMYOOLTMHOZHE-QMMMGPOBSA-N	-1	0	271.294	0.675	20	30		CCEDRM
C#C[C@H]([N-]S(=O)(=O)c1ncccc1[N+](=O)[O-])C(C)C	ZINC000849390892	613152943	/nfs/dbraw/zinc/15/29/43/613152943.db2.gz	COPCSONKGIPJCO-VIFPVBQESA-N	-1	0	283.309	0.926	20	30		CCEDRM
C#Cc1ccc(C(=O)N(C)[C@H]2CCN(C(=O)[O-])C2)cn1	ZINC000823466519	613166344	/nfs/dbraw/zinc/16/63/44/613166344.db2.gz	CIQYXMSVTWLPAF-LBPRGKRZSA-N	-1	0	273.292	0.887	20	30		CCEDRM
C/C=C(\CC)C(=O)N1CC(n2cc(C#N)c(=O)[n-]c2=O)C1	ZINC000863934703	613175295	/nfs/dbraw/zinc/17/52/95/613175295.db2.gz	LWPNSJGRCWJWPU-YCRREMRBSA-N	-1	0	288.307	0.560	20	30		CCEDRM
C#CCN1CCC[C@H]1C(=O)NC[C@@H](CC(=O)[O-])C1CC1	ZINC000909966766	613199127	/nfs/dbraw/zinc/19/91/27/613199127.db2.gz	WFMRKCOTAXTRAT-OLZOCXBDSA-N	-1	0	278.352	0.701	20	30		CCEDRM
C#CCN1CCN(C(=O)C23CC(C(=O)[O-])(C2)C3)CC1	ZINC000911150616	613204322	/nfs/dbraw/zinc/20/43/22/613204322.db2.gz	OTOKOKXRDJMLPW-UHFFFAOYSA-N	-1	0	262.309	0.019	20	30		CCEDRM
C#Cc1ccccc1CC(=O)[N-]S(=O)(=O)CC=C	ZINC000810643622	613206830	/nfs/dbraw/zinc/20/68/30/613206830.db2.gz	MBJKSVCPPUBWBN-UHFFFAOYSA-N	-1	0	263.318	0.842	20	30		CCEDRM
C#CCN1CCN(C(=O)c2ccc(CNC(=O)[O-])o2)CC1	ZINC000823455459	613208355	/nfs/dbraw/zinc/20/83/55/613208355.db2.gz	CRXTYOORQYWAQI-UHFFFAOYSA-N	-1	0	291.307	0.438	20	30		CCEDRM
C#Cc1cncc(C(=O)N2CC[C@@H](OC)C[C@@H]2C(=O)[O-])c1	ZINC000909982947	613214646	/nfs/dbraw/zinc/21/46/46/613214646.db2.gz	OFLTYQANMOUGBC-CHWSQXEVSA-N	-1	0	288.303	0.767	20	30		CCEDRM
C=C(C)C(C)(C)C(=O)N1CCO[C@@H](c2nnn[n-]2)C1	ZINC000819256009	613241686	/nfs/dbraw/zinc/24/16/86/613241686.db2.gz	GLKGJZWIWLXBPR-SECBINFHSA-N	-1	0	265.317	0.702	20	30		CCEDRM
C=C(C)CCOC(=O)CN1CCN(C(=O)[O-])CC1=O	ZINC000823474575	613282215	/nfs/dbraw/zinc/28/22/15/613282215.db2.gz	QBONOMLSTDBQFG-UHFFFAOYSA-N	-1	0	270.285	0.318	20	30		CCEDRM
C=C(C)COCCNC(=O)Nc1ccn(CC(=O)[O-])n1	ZINC000825646974	613352113	/nfs/dbraw/zinc/35/21/13/613352113.db2.gz	BBMNRZDKBYPZTR-UHFFFAOYSA-N	-1	0	282.300	0.682	20	30		CCEDRM
C=C(C)COCCNC(=O)[C@@H](NC(=O)[O-])C(C)C	ZINC000823480630	613352117	/nfs/dbraw/zinc/35/21/17/613352117.db2.gz	JNGIVZSCQITMPH-JTQLQIEISA-N	-1	0	258.318	0.988	20	30		CCEDRM
C=C(C)COCCNC(=O)N[C@H](CSC)C(=O)[O-]	ZINC000905535935	613352197	/nfs/dbraw/zinc/35/21/97/613352197.db2.gz	FEQMRDPBIXUOEQ-SECBINFHSA-N	-1	0	276.358	0.695	20	30		CCEDRM
C=C(C)CO[N-]C(=O)CN1C(=O)[C@@H]2CCCC[C@@H]2C1=O	ZINC000846541561	613352554	/nfs/dbraw/zinc/35/25/54/613352554.db2.gz	ZGVFYRCTCGCDLZ-PHIMTYICSA-N	-1	0	280.324	0.786	20	30		CCEDRM
C=C(C)CO[N-]C(=O)[C@@H]1OCCO[C@@H]1C(F)(F)F	ZINC000869152895	613353795	/nfs/dbraw/zinc/35/37/95/613353795.db2.gz	KELGXWQOPLNSQG-SFYZADRCSA-N	-1	0	269.219	0.957	20	30		CCEDRM
C=C(C)CS(=O)(=O)N[C@@H](C(=O)[O-])c1cccnc1	ZINC000871995562	613354241	/nfs/dbraw/zinc/35/42/41/613354241.db2.gz	BNFAYUCAGNXDNP-SNVBAGLBSA-N	-1	0	270.310	0.703	20	30		CCEDRM
C=C(C)C[C@@H](NC(=O)c1ccc(=O)[nH]c1)C(=O)[O-]	ZINC000910288573	613356092	/nfs/dbraw/zinc/35/60/92/613356092.db2.gz	XLPAGSAJXXYPOH-SECBINFHSA-N	-1	0	250.254	0.936	20	30		CCEDRM
C=C(C)C[C@H](NC(=O)[C@@H]1CN(CC)CCO1)C(=O)[O-]	ZINC000910292256	613358899	/nfs/dbraw/zinc/35/88/99/613358899.db2.gz	NZYSQMKMSWBQFZ-QWRGUYRKSA-N	-1	0	270.329	0.243	20	30		CCEDRM
C=C(C)[C@@H](CC(=O)N[C@@](C)(COC)C(=O)[O-])OCC	ZINC000833366818	613360262	/nfs/dbraw/zinc/36/02/62/613360262.db2.gz	DLJGXCRQMXPFCN-MFKMUULPSA-N	-1	0	273.329	0.964	20	30		CCEDRM
C=C(C)[C@@H](CO)n1cc(C[N-]C(=O)C(F)(F)F)nn1	ZINC000881319420	613360487	/nfs/dbraw/zinc/36/04/87/613360487.db2.gz	BTLOUHFQSIFKGS-MRVPVSSYSA-N	-1	0	278.234	0.566	20	30		CCEDRM
C=C(C)[C@@H]1OCC[C@@H]1C(=O)Nc1ccn(CC(=O)[O-])n1	ZINC000902090492	613361799	/nfs/dbraw/zinc/36/17/99/613361799.db2.gz	HMBQNXIXSAACMP-CABZTGNLSA-N	-1	0	279.296	0.887	20	30		CCEDRM
C=C(C)[C@H](CC(=O)NC[C@@H]1CCO[C@@H]1C(=O)[O-])OCC	ZINC000910348682	613362249	/nfs/dbraw/zinc/36/22/49/613362249.db2.gz	LELQYDNJGGCGLU-GVXVVHGQSA-N	-1	0	285.340	0.964	20	30		CCEDRM
C=C(C)[C@H](CC(=O)NCCCc1c[nH][nH]c1=O)OCC	ZINC000898736233	613362263	/nfs/dbraw/zinc/36/22/63/613362263.db2.gz	BXSLSOBXNKRGHR-RYUDHWBXSA-N	-1	0	281.356	0.986	20	30		CCEDRM
C=C(C)[C@H]1OCC[C@H]1CNC(=O)[C@@H]1CC[C@H](C(=O)[O-])O1	ZINC000864178577	613363093	/nfs/dbraw/zinc/36/30/93/613363093.db2.gz	FMEKXQWLZYMZCW-NNYUYHANSA-N	-1	0	283.324	0.716	20	30		CCEDRM
C=C(COC(=O)[C@@]1(F)CCN(C(=O)[O-])C1)C(=O)OCC	ZINC000823480476	613367489	/nfs/dbraw/zinc/36/74/89/613367489.db2.gz	DJZCMJVLCMFIGR-GFCCVEGCSA-N	-1	0	289.259	0.741	20	30		CCEDRM
C=C(Cl)C[C@H](NC(=O)CCn1ccccc1=O)C(=O)[O-]	ZINC000864184618	613390606	/nfs/dbraw/zinc/39/06/06/613390606.db2.gz	OZAWDHQYHDFDIK-JTQLQIEISA-N	-1	0	298.726	0.950	20	30		CCEDRM
C=C(Cl)C[C@H](NC(=O)Cc1cn(C)nc1C)C(=O)[O-]	ZINC000910268165	613390678	/nfs/dbraw/zinc/39/06/78/613390678.db2.gz	WQVOLJOQRGSIPX-JTQLQIEISA-N	-1	0	285.731	0.983	20	30		CCEDRM
C=C(Cl)C[C@H](NC(=O)[C@@H](COC)OC)C(=O)[O-]	ZINC000864186494	613390679	/nfs/dbraw/zinc/39/06/79/613390679.db2.gz	QURFFTGWAGWQRZ-JGVFFNPUSA-N	-1	0	265.693	0.360	20	30		CCEDRM
C=C(Cl)C[C@H](NC(=O)NOCCOC)C(=O)[O-]	ZINC000909251993	613390681	/nfs/dbraw/zinc/39/06/81/613390681.db2.gz	ORDPKKZICXHIJX-ZETCQYMHSA-N	-1	0	266.681	0.459	20	30		CCEDRM
C=C(Cl)C[C@H](NS(=O)(=O)CCC)C(=O)[O-]	ZINC000863419525	613390765	/nfs/dbraw/zinc/39/07/65/613390765.db2.gz	CXCKHRPIJWBEPX-ZETCQYMHSA-N	-1	0	255.723	0.912	20	30		CCEDRM
C=C(Cl)C[C@H](NC(=O)c1cn(C)nn1)C(=O)[O-]	ZINC000910271122	613390833	/nfs/dbraw/zinc/39/08/33/613390833.db2.gz	MZGITQDNRLHUMI-LURJTMIESA-N	-1	0	258.665	0.141	20	30		CCEDRM
C=C(Cl)C[C@H](NC(=O)[C@H]1OCCO[C@H]1C)C(=O)[O-]	ZINC000910267238	613390835	/nfs/dbraw/zinc/39/08/35/613390835.db2.gz	SKXGRFFGIOQZLW-CIUDSAMLSA-N	-1	0	277.704	0.502	20	30		CCEDRM
C=C(Cl)C[C@H](NS(=O)(=O)[C@H]1CCO[C@@H]1C)C(=O)[O-]	ZINC000863420392	613390930	/nfs/dbraw/zinc/39/09/30/613390930.db2.gz	NAGVDUSJIADUKN-VGMNWLOBSA-N	-1	0	297.760	0.679	20	30		CCEDRM
C=C(Cl)C[C@H](NS(=O)(=O)Cc1ccon1)C(=O)[O-]	ZINC000863419982	613390971	/nfs/dbraw/zinc/39/09/71/613390971.db2.gz	GEKZSSAXZPGFSK-QMMMGPOBSA-N	-1	0	294.716	0.690	20	30		CCEDRM
C=CC[C@@H](CC)NC(=O)C(=O)NC[C@H](CC)C(=O)[O-]	ZINC000927942773	613401179	/nfs/dbraw/zinc/40/11/79/613401179.db2.gz	ITNDNDCCVYHTBF-VHSXEESVSA-N	-1	0	270.329	0.684	20	30		CCEDRM
C=C1CCC(CNC(=O)C(=O)N2CC[C@H](C(=O)[O-])C2)CC1	ZINC000927962627	613413520	/nfs/dbraw/zinc/41/35/20/613413520.db2.gz	GNVLHUSXUNPZFC-LBPRGKRZSA-N	-1	0	294.351	0.782	20	30		CCEDRM
C=CC[C@H]1CCCN(C(=O)NCC(=O)[N-]OC)C1	ZINC000927217801	613421114	/nfs/dbraw/zinc/42/11/14/613421114.db2.gz	IFAWGXFJVDHKAT-JTQLQIEISA-N	-1	0	255.318	0.662	20	30		CCEDRM
C=CC[C@H]1CCN1C(=O)Cn1[n-]cc2c(=O)ncnc1-2	ZINC000890558186	613422368	/nfs/dbraw/zinc/42/23/68/613422368.db2.gz	OKZFOTIZTPQHNV-VIFPVBQESA-N	-1	0	273.296	0.248	20	30		CCEDRM
C=CCn1c(=O)[nH]nc1SC[C@H]1CC(C(=O)[O-])=NO1	ZINC000833381042	613424460	/nfs/dbraw/zinc/42/44/60/613424460.db2.gz	YOBYCJJGQBNWFC-ZCFIWIBFSA-N	-1	0	284.297	0.491	20	30		CCEDRM
C=CCn1cc(C(=O)N2CC(F)(F)C[C@H]2C(=O)[O-])nn1	ZINC000910435034	613425850	/nfs/dbraw/zinc/42/58/50/613425850.db2.gz	MNWQNCULHXRTMT-QMMMGPOBSA-N	-1	0	286.238	0.399	20	30		CCEDRM
C=CCn1cc(C(=O)N2CC[C@H](C(=O)[O-])[C@@H]2C)nn1	ZINC000844155482	613427038	/nfs/dbraw/zinc/42/70/38/613427038.db2.gz	PDEUKJZYAPYMSY-IUCAKERBSA-N	-1	0	264.285	0.399	20	30		CCEDRM
C=CCn1cc(C(=O)[N-]S(=O)(=O)C2(CC=C)CC2)nn1	ZINC000842798449	613429272	/nfs/dbraw/zinc/42/92/72/613429272.db2.gz	AZUMLPLKPQVKAZ-UHFFFAOYSA-N	-1	0	296.352	0.632	20	30		CCEDRM
C=CCn1cc(C([O-])=C(C#N)C(=O)NC2CCCC2)nn1	ZINC000842689373	613433912	/nfs/dbraw/zinc/43/39/12/613433912.db2.gz	DIVKXEXKHJWJRZ-NSHDSACASA-N	-1	0	287.323	0.845	20	30		CCEDRM
C=C[C@@H](C)NC(=O)c1cccn(CC(=O)[O-])c1=O	ZINC000901781961	613442681	/nfs/dbraw/zinc/44/26/81/613442681.db2.gz	ZAOMOSHQGMLEMB-MRVPVSSYSA-N	-1	0	250.254	0.237	20	30		CCEDRM
C=C[C@@H](C)NS(=O)(=O)c1ccccc1-c1nn[nH]n1	ZINC000823882852	613442829	/nfs/dbraw/zinc/44/28/29/613442829.db2.gz	FADHLLHAWVUJFE-MRVPVSSYSA-N	-1	0	279.325	0.720	20	30		CCEDRM
C=C[C@@H](C)O[N-]C(=O)C(=O)Nc1cc(C)nn1CC	ZINC000861898013	613443167	/nfs/dbraw/zinc/44/31/67/613443167.db2.gz	AMYKFUIQUONDRL-SECBINFHSA-N	-1	0	266.301	0.772	20	30		CCEDRM
C=C[C@@H](C)O[N-]C(=O)C(=O)Nc1ccnn1CC	ZINC000846155830	613443341	/nfs/dbraw/zinc/44/33/41/613443341.db2.gz	YULMMTIENYCHJU-MRVPVSSYSA-N	-1	0	252.274	0.464	20	30		CCEDRM
C=C[C@@H](C)O[N-]C(=O)CSc1nnnn1C1CC1	ZINC000846544368	613443525	/nfs/dbraw/zinc/44/35/25/613443525.db2.gz	QLYMTRXYDZYBCB-SSDOTTSWSA-N	-1	0	269.330	0.722	20	30		CCEDRM
C=CC(C)(C)CC(=O)[N-]S(=O)(=O)c1cnn(C)c1	ZINC000892428313	613446238	/nfs/dbraw/zinc/44/62/38/613446238.db2.gz	XGJGRSHDSFWFEY-UHFFFAOYSA-N	-1	0	271.342	0.827	20	30		CCEDRM
C=C[C@@H](C)O[N-]C(=O)[C@@H](CC(N)=O)NC(=O)CC(C)C	ZINC000846553091	613447159	/nfs/dbraw/zinc/44/71/59/613447159.db2.gz	XOPFRCAIGYGRAJ-NXEZZACHSA-N	-1	0	285.344	0.015	20	30		CCEDRM
C=C[C@@H](C)O[N-]C(=O)[C@](C)(O)Cn1c(C)cccc1=O	ZINC000846553323	613447299	/nfs/dbraw/zinc/44/72/99/613447299.db2.gz	APPSSWHBBBBEJV-BXUZGUMPSA-N	-1	0	280.324	0.530	20	30		CCEDRM
C=CC1(S(=O)(=O)[N-]C(=O)/C=C/[C@H]2CCCO2)CC1	ZINC000870838837	613449767	/nfs/dbraw/zinc/44/97/67/613449767.db2.gz	OFALEYBTFZNJPA-BRAIEQGRSA-N	-1	0	271.338	0.886	20	30		CCEDRM
C=CC1(S(=O)(=O)[N-]C(=O)C2CC(OC)C2)CC1	ZINC000870839530	613450405	/nfs/dbraw/zinc/45/04/05/613450405.db2.gz	MPZJVKDCECBODE-UHFFFAOYSA-N	-1	0	259.327	0.576	20	30		CCEDRM
C=CC1(S(=O)(=O)[N-]C(=O)[C@@H]2O[C@@H](C)C[C@@H]2C)CC1	ZINC000870837164	613451165	/nfs/dbraw/zinc/45/11/65/613451165.db2.gz	ZHLUKEZYYFLFFI-LPEHRKFASA-N	-1	0	273.354	0.965	20	30		CCEDRM
C=CC1(S(=O)(=O)[N-]C(=O)[C@@H]2C[C@@]23CCOC3)CC1	ZINC000870835547	613451319	/nfs/dbraw/zinc/45/13/19/613451319.db2.gz	FAIAKYKPHZQXIE-GXSJLCMTSA-N	-1	0	271.338	0.578	20	30		CCEDRM
C=C[C@@H](O)C(=O)NCCc1ccc(OCC(=O)[O-])cc1	ZINC000909302271	613451777	/nfs/dbraw/zinc/45/17/77/613451777.db2.gz	LMXSSVOYARKLKL-GFCCVEGCSA-N	-1	0	279.292	0.356	20	30		CCEDRM
C=CC1(S(=O)(=O)[N-]C(=O)c2ccsn2)CC1	ZINC000870837302	613452008	/nfs/dbraw/zinc/45/20/08/613452008.db2.gz	GQXWFHSKMVGPCE-UHFFFAOYSA-N	-1	0	258.324	0.921	20	30		CCEDRM
C=CC1(S(=O)(=O)[N-]C(=O)c2cnn(CCF)c2)CC1	ZINC000870838236	613452190	/nfs/dbraw/zinc/45/21/90/613452190.db2.gz	QYVODYQQTYMJBM-UHFFFAOYSA-N	-1	0	287.316	0.631	20	30		CCEDRM
C=CCC(C)(C)CNC(=O)N=c1nn[n-]n1CC	ZINC000888325654	613453130	/nfs/dbraw/zinc/45/31/30/613453130.db2.gz	RQVRUGGJYIXMAN-UHFFFAOYSA-N	-1	0	252.322	0.839	20	30		CCEDRM
C=CCC(F)(F)C(=O)[N-]S(=O)(=O)c1ccnn1C	ZINC000816021071	613455194	/nfs/dbraw/zinc/45/51/94/613455194.db2.gz	BJTOMAZBYXRUOP-UHFFFAOYSA-N	-1	0	279.268	0.436	20	30		CCEDRM
C=C[C@@H]1CCCCN1C(=O)C(=O)NCCCCC(=O)[O-]	ZINC000817113651	613456014	/nfs/dbraw/zinc/45/60/14/613456014.db2.gz	BBXNGWUUBVWOPH-LLVKDONJSA-N	-1	0	282.340	0.925	20	30		CCEDRM
C=CCC1(C(=O)[O-])CN(S(=O)(=O)[C@@H](C)CCOC)C1	ZINC000906007244	613456951	/nfs/dbraw/zinc/45/69/51/613456951.db2.gz	XUGPUCBEHBYBDC-JTQLQIEISA-N	-1	0	291.369	0.704	20	30		CCEDRM
C=CCC1(S(=O)(=O)[N-]C(=O)[C@@H]2C[C@@H](C)CO2)CC1	ZINC000893035336	613461457	/nfs/dbraw/zinc/46/14/57/613461457.db2.gz	YMIJWHXUYIWCAJ-ZJUUUORDSA-N	-1	0	273.354	0.966	20	30		CCEDRM
C=CCC1(S(=O)(=O)[N-]C(=O)[C@H](C)OCC)CC1	ZINC000810982793	613461460	/nfs/dbraw/zinc/46/14/60/613461460.db2.gz	XSGFRJFJBDSTCO-VIFPVBQESA-N	-1	0	261.343	0.966	20	30		CCEDRM
C=CCCC(=O)N1CC[C@@H](C(=O)OC)C[C@H]1C(=O)[O-]	ZINC000833373327	613462470	/nfs/dbraw/zinc/46/24/70/613462470.db2.gz	LEKVOCVWKDCVAA-ZJUUUORDSA-N	-1	0	269.297	0.817	20	30		CCEDRM
C=CCCC(=O)N1CC[C@H](n2cc(C(=O)[O-])nn2)C1	ZINC000818317842	613462629	/nfs/dbraw/zinc/46/26/29/613462629.db2.gz	POZKJKCOSQWALK-VIFPVBQESA-N	-1	0	264.285	0.716	20	30		CCEDRM
C=CCCCC(=O)N1CCN(C)C[C@H]1CNC(=O)[O-]	ZINC000823496754	613464456	/nfs/dbraw/zinc/46/44/56/613464456.db2.gz	PHAZASJBSXEYRM-LLVKDONJSA-N	-1	0	269.345	0.753	20	30		CCEDRM
C=C[C@@H]1OCC[C@H]1C(=O)[N-]OCCCC(=O)OC	ZINC000832156283	613465687	/nfs/dbraw/zinc/46/56/87/613465687.db2.gz	FJWWQZHVHUVKCG-ZJUUUORDSA-N	-1	0	257.286	0.579	20	30		CCEDRM
C=CCCCN1c2c(cnn2C)C([O-])=CS1(=O)=O	ZINC000902833516	613467350	/nfs/dbraw/zinc/46/73/50/613467350.db2.gz	FPCMBANYJNFCDZ-UHFFFAOYSA-N	-1	0	269.326	0.719	20	30		CCEDRM
C=C[C@@H]1OCC[C@H]1CNC(=O)N[C@@H](C(=O)[O-])C(C)C	ZINC000909237601	613469423	/nfs/dbraw/zinc/46/94/23/613469423.db2.gz	HGPJAMXRMSZODO-GARJFASQSA-N	-1	0	270.329	0.986	20	30		CCEDRM
C=CCCC[C@H](NC(=O)CCC(=O)[O-])C(=O)OC	ZINC000902835283	613473389	/nfs/dbraw/zinc/47/33/89/613473389.db2.gz	CVSVBNKOSGPOLT-VIFPVBQESA-N	-1	0	257.286	0.865	20	30		CCEDRM
C=CCCC[C@H](NC(=O)c1cc(=O)n(C)[n-]1)C(=O)OC	ZINC000928321236	613474154	/nfs/dbraw/zinc/47/41/54/613474154.db2.gz	ZRNLPHGOCMXOTJ-VIFPVBQESA-N	-1	0	281.312	0.753	20	30		CCEDRM
C=CCCC[C@H](NC(=O)[C@H]1CN(C)CCO1)C(=O)[O-]	ZINC000910918327	613474422	/nfs/dbraw/zinc/47/44/22/613474422.db2.gz	YAJWVODGBYTOGR-WDEREUQCSA-N	-1	0	270.329	0.243	20	30		CCEDRM
C=CCCC[C@H](NC(=O)c1cnn(C)c1)C(=O)[O-]	ZINC000910917863	613474686	/nfs/dbraw/zinc/47/46/86/613474686.db2.gz	DUSIRLLZTGACDM-JTQLQIEISA-N	-1	0	251.286	0.959	20	30		CCEDRM
C=CCCC[C@H]1NC(=O)N(CC(=O)[N-]OCC)C1=O	ZINC000924968502	613474876	/nfs/dbraw/zinc/47/48/76/613474876.db2.gz	ZJRRAAASTVXPLM-SECBINFHSA-N	-1	0	269.301	0.331	20	30		CCEDRM
C=CCCC[C@H](NC(=O)c1cnnn1C)C(=O)[O-]	ZINC000910917763	613474946	/nfs/dbraw/zinc/47/49/46/613474946.db2.gz	VHEGMZMPLDRDCT-QMMMGPOBSA-N	-1	0	252.274	0.354	20	30		CCEDRM
C=C[C@@](C)(CC)C(=O)NCCC(=O)[N-]S(C)(=O)=O	ZINC000800549658	613476546	/nfs/dbraw/zinc/47/65/46/613476546.db2.gz	PBLHQGMAONJUHP-NSHDSACASA-N	-1	0	276.358	0.171	20	30		CCEDRM
C=C[C@@](C)(CCOC)C(=O)[N-]S(=O)(=O)CC(F)F	ZINC000851362674	613476880	/nfs/dbraw/zinc/47/68/80/613476880.db2.gz	KHDKCPUXYVUPLF-JTQLQIEISA-N	-1	0	285.312	0.926	20	30		CCEDRM
C=C[C@H](C)O[N-]C(=O)C(=O)Nc1ccn(CCF)n1	ZINC000873935085	613483754	/nfs/dbraw/zinc/48/37/54/613483754.db2.gz	ZHWMOBIANMBRSL-QMMMGPOBSA-N	-1	0	270.264	0.413	20	30		CCEDRM
C=C[C@H](O)C(=O)N(CCC(=O)[O-])C[C@H]1CCCO1	ZINC000908985413	613493510	/nfs/dbraw/zinc/49/35/10/613493510.db2.gz	XRMCTBTWCUJICU-ZJUUUORDSA-N	-1	0	257.286	0.016	20	30		CCEDRM
CC#CCCNC(=O)N1CCC[C@@H](c2n[nH]c(=O)[n-]2)C1	ZINC000922039549	613521702	/nfs/dbraw/zinc/52/17/02/613521702.db2.gz	PUFYGPZLMBHDGE-SNVBAGLBSA-N	-1	0	277.328	0.813	20	30		CCEDRM
CC#CCCNC(=O)N1C[C@@H](C(=O)OC)CC[C@H]1C(=O)[O-]	ZINC000909030191	613522269	/nfs/dbraw/zinc/52/22/69/613522269.db2.gz	ASYSPAKUTHKNCJ-QWRGUYRKSA-N	-1	0	296.323	0.448	20	30		CCEDRM
CC#CCCNC(=O)N[C@H](C[C@@H]1CCCO1)C(=O)[O-]	ZINC000909031508	613522795	/nfs/dbraw/zinc/52/27/95/613522795.db2.gz	KXNKUSPCNNIQON-WDEREUQCSA-N	-1	0	268.313	0.721	20	30		CCEDRM
C=CCCOCC(=O)N1CCC[C@@H](O)[C@@H]1C(=O)[O-]	ZINC000911638407	613571291	/nfs/dbraw/zinc/57/12/91/613571291.db2.gz	KSPIACFVEWZOTB-MWLCHTKSSA-N	-1	0	257.286	0.016	20	30		CCEDRM
C=CCCO[N-]C(=O)CN1CCC[C@@H](C(=O)OC)C1=O	ZINC000825566075	613576643	/nfs/dbraw/zinc/57/66/43/613576643.db2.gz	OTXSROHKVGFOQT-SNVBAGLBSA-N	-1	0	284.312	0.022	20	30		CCEDRM
C=CCCO[N-]C(=O)[C@](C)(O)Cn1ccccc1=O	ZINC000856034600	613577116	/nfs/dbraw/zinc/57/71/16/613577116.db2.gz	JANVENSLUIWKPE-CYBMUJFWSA-N	-1	0	266.297	0.223	20	30		CCEDRM
C=CCCO[C@@H](C)C(=O)N[C@](C)(Cn1cccn1)C(=O)[O-]	ZINC000908272752	613578562	/nfs/dbraw/zinc/57/85/62/613578562.db2.gz	ONBJNXAMWCRRAO-SMDDNHRTSA-N	-1	0	295.339	0.824	20	30		CCEDRM
C=CCCO[C@H](C)C(=O)N1CC[N@H+](CCC(=O)[O-])[C@@H](C)C1	ZINC000833373805	613578833	/nfs/dbraw/zinc/57/88/33/613578833.db2.gz	DJCSDJCWCANRNW-QWHCGFSZSA-N	-1	0	298.383	0.975	20	30		CCEDRM
C=CCCS(=O)(=O)N(C)[C@H](COC(C)C)C(=O)[O-]	ZINC000825675808	613580152	/nfs/dbraw/zinc/58/01/52/613580152.db2.gz	HIEIELKFZHKTSS-SNVBAGLBSA-N	-1	0	279.358	0.702	20	30		CCEDRM
C=CCCS(=O)(=O)N1CCO[C@@H]([C@H](C)NC(=O)[O-])C1	ZINC000823500856	613580557	/nfs/dbraw/zinc/58/05/57/613580557.db2.gz	MLQSRBVGEVCBMV-VHSXEESVSA-N	-1	0	292.357	0.249	20	30		CCEDRM
C=CCCS(=O)(=O)NCC[C@H](C)NC(=O)[O-]	ZINC000823501184	613581156	/nfs/dbraw/zinc/58/11/56/613581156.db2.gz	RUOAIFBNIVHBCY-QMMMGPOBSA-N	-1	0	250.320	0.528	20	30		CCEDRM
C=CCC[C@@H](CO)NC(=O)C(C)(C)[N-]C(=O)C(F)(F)F	ZINC000837080322	613583266	/nfs/dbraw/zinc/58/32/66/613583266.db2.gz	AZDQLTMEEJZCKH-QMMMGPOBSA-N	-1	0	296.289	0.887	20	30		CCEDRM
C=CCC[C@@H](NC(=O)c1cnc(N(C)C)cn1)C(=O)[O-]	ZINC000909715661	613585554	/nfs/dbraw/zinc/58/55/54/613585554.db2.gz	NMAJRSSQQXEGTI-SECBINFHSA-N	-1	0	278.312	0.692	20	30		CCEDRM
C=CCC[C@H](NC(=O)Cc1cnn(CC)c1)C(=O)[O-]	ZINC000909714943	613589420	/nfs/dbraw/zinc/58/94/20/613589420.db2.gz	IXBARWLBBHWMBO-NSHDSACASA-N	-1	0	265.313	0.981	20	30		CCEDRM
C=CCC[C@H](O)CN1CC[C@@H](C(=O)[O-])C[C@H]1C(=O)OC	ZINC000833373451	613590994	/nfs/dbraw/zinc/59/09/94/613590994.db2.gz	PQFSNNYHWKHJGJ-WOPDTQHZSA-N	-1	0	285.340	0.652	20	30		CCEDRM
C=CCN(CC(=O)[O-])C(=O)COCc1nccn1C	ZINC000909514783	613642019	/nfs/dbraw/zinc/64/20/19/613642019.db2.gz	LMBWJRPZEQKHPI-UHFFFAOYSA-N	-1	0	267.285	0.036	20	30		CCEDRM
C=CCN(CC(=O)[O-])C(=O)COCc1cc[nH]c(=O)c1	ZINC000909514624	613642052	/nfs/dbraw/zinc/64/20/52/613642052.db2.gz	AZBHMILAVBJLAU-UHFFFAOYSA-N	-1	0	280.280	0.403	20	30		CCEDRM
C=CCN(CC(=O)[O-])C(=O)NCCCO[C@@H]1CCOC1	ZINC000797730581	613642568	/nfs/dbraw/zinc/64/25/68/613642568.db2.gz	ZZDRTGIQVFCWAY-LLVKDONJSA-N	-1	0	286.328	0.464	20	30		CCEDRM
C=CCN(CC(=O)[O-])C(=O)NC1CCC2(CC1)OCCO2	ZINC000825100907	613642586	/nfs/dbraw/zinc/64/25/86/613642586.db2.gz	BGPJAVSLUFZGSI-UHFFFAOYSA-N	-1	0	298.339	0.954	20	30		CCEDRM
C=CCN(CC(=O)[O-])C(=O)Cc1cn2c(n1)CCCC2	ZINC000846118106	613642765	/nfs/dbraw/zinc/64/27/65/613642765.db2.gz	LJKQPMROELFMJX-UHFFFAOYSA-N	-1	0	277.324	0.861	20	30		CCEDRM
C=CCN(CC(=O)[O-])C(=O)Cn1ncc2cc(C)cnc21	ZINC000907634146	613642782	/nfs/dbraw/zinc/64/27/82/613642782.db2.gz	MVWIZBCNRAPYAH-UHFFFAOYSA-N	-1	0	288.307	0.839	20	30		CCEDRM
C=CCN(CC(=O)[O-])C(=O)[C@@H](CC)N1CCO[C@@H](CC)C1	ZINC000909516957	613643382	/nfs/dbraw/zinc/64/33/82/613643382.db2.gz	VIQIZMMJLVUIRZ-QWHCGFSZSA-N	-1	0	298.383	0.975	20	30		CCEDRM
C=CCN(CC(=O)[O-])C(=O)c1cc(OC)n(C)n1	ZINC000302280127	613643738	/nfs/dbraw/zinc/64/37/38/613643738.db2.gz	ITUZGUSRFDPLMU-UHFFFAOYSA-N	-1	0	253.258	0.142	20	30		CCEDRM
C=CCN(CC(=O)[O-])C(=O)[C@H]1CCc2ncncc2C1	ZINC000844155212	613643757	/nfs/dbraw/zinc/64/37/57/613643757.db2.gz	NIEVUGJEXNUDDV-JTQLQIEISA-N	-1	0	275.308	0.681	20	30		CCEDRM
C=CCN(CC(=O)[O-])c1ccnc(N2CCOCC2)n1	ZINC000910396123	613644486	/nfs/dbraw/zinc/64/44/86/613644486.db2.gz	RXASNOSNLKFLHL-UHFFFAOYSA-N	-1	0	278.312	0.390	20	30		CCEDRM
C=CCN(CC(=O)OCC)C(=O)[C@H](C)NC(=O)[O-]	ZINC000833375384	613644942	/nfs/dbraw/zinc/64/49/42/613644942.db2.gz	UZZSVYDOFOKQRY-QMMMGPOBSA-N	-1	0	258.274	0.220	20	30		CCEDRM
CC#CCS(=O)(=O)[N-]C(=O)CC[C@H]1CC[C@@H](C)O1	ZINC000810774320	613645814	/nfs/dbraw/zinc/64/58/14/613645814.db2.gz	XCTMCYHFTOZBSX-GHMZBOCLSA-N	-1	0	273.354	0.803	20	30		CCEDRM
C=CCN(CC=C)C(=O)CN1CC[C@@H](OC)C[C@@H]1C(=O)[O-]	ZINC000833375415	613647252	/nfs/dbraw/zinc/64/72/52/613647252.db2.gz	WKGHBGTZCRDOBP-CHWSQXEVSA-N	-1	0	296.367	0.751	20	30		CCEDRM
CC#CCS(=O)(=O)[N-]C(=O)[C@H](C)Cc1ccco1	ZINC000850999203	613647223	/nfs/dbraw/zinc/64/72/23/613647223.db2.gz	ACIGKUAVCGRMNP-SNVBAGLBSA-N	-1	0	269.322	0.928	20	30		CCEDRM
CC#CCS(=O)(=O)[N-]C(=O)c1ccc(C#N)s1	ZINC000810777660	613647642	/nfs/dbraw/zinc/64/76/42/613647642.db2.gz	HFECPULKGHUBDI-UHFFFAOYSA-N	-1	0	268.319	0.703	20	30		CCEDRM
CC#CCS(=O)(=O)[N-]C(=O)c1cccc(C)c1[N+](=O)[O-]	ZINC000791110693	613647826	/nfs/dbraw/zinc/64/78/26/613647826.db2.gz	HGURHGRNSZGVBE-UHFFFAOYSA-N	-1	0	296.304	0.986	20	30		CCEDRM
CC(=NNCC(=O)[O-])c1ccc([S@](C)=O)cc1	ZINC000814961121	613654535	/nfs/dbraw/zinc/65/45/35/613654535.db2.gz	XJITVOORHARPMP-KRWDZBQOSA-N	-1	0	254.311	0.822	20	30		CCEDRM
CC(N=Nc1ccc(C(=O)[O-])cn1)c1cnnn1C	ZINC000814890163	613657004	/nfs/dbraw/zinc/65/70/04/613657004.db2.gz	IYSXMGNQXOBEKA-UHFFFAOYSA-N	-1	0	260.257	0.744	20	30		CCEDRM
CC(=O)NCCCCCC(=O)N[C@H]1CCCN(O)C1=O	ZINC000820471348	613720838	/nfs/dbraw/zinc/72/08/38/613720838.db2.gz	TUJTVSZSAKCAMU-NSHDSACASA-N	-1	0	285.344	0.179	20	30		CCEDRM
C=CCNC(=O)C(C#N)=C([O-])c1cc(C(C)=O)cn1C	ZINC000916916813	613854897	/nfs/dbraw/zinc/85/48/97/613854897.db2.gz	CHRDTMCLQDBMOH-LLVKDONJSA-N	-1	0	273.292	0.852	20	30		CCEDRM
C=CCNC(=O)C(C#N)=C([O-])c1cc([N+](=O)[O-])cn1C	ZINC000916919968	613854907	/nfs/dbraw/zinc/85/49/07/613854907.db2.gz	FBRMVEWGBWWPCO-SECBINFHSA-N	-1	0	276.252	0.558	20	30		CCEDRM
C=CCOCC(=O)N1CC[C@@](COC)(C(=O)[O-])C1	ZINC000902313651	613879245	/nfs/dbraw/zinc/87/92/45/613879245.db2.gz	URNRKJPHTOTDFW-GFCCVEGCSA-N	-1	0	257.286	0.139	20	30		CCEDRM
C=CCOCC(=O)N[C@H](C[C@H]1CCCOC1)C(=O)[O-]	ZINC000910235044	613879553	/nfs/dbraw/zinc/87/95/53/613879553.db2.gz	BGSZDHOHSOPFKR-GHMZBOCLSA-N	-1	0	271.313	0.575	20	30		CCEDRM
C=CCOC[C@@H](NC(=O)[C@@H](O)c1ccccc1)C(=O)[O-]	ZINC000909769146	613881722	/nfs/dbraw/zinc/88/17/22/613881722.db2.gz	BDZJNSCJHOMTJJ-NEPJUHHUSA-N	-1	0	279.292	0.492	20	30		CCEDRM
C=CCOC[C@@H](NC(=O)N[C@H]1CCSC1)C(=O)[O-]	ZINC000908962511	613881818	/nfs/dbraw/zinc/88/18/18/613881818.db2.gz	GAFZLCZYLUBXSX-DTWKUNHWSA-N	-1	0	274.342	0.447	20	30		CCEDRM
C=CCOC[C@@H](NC(=O)[C@]12C[C@H]1COC21CCC1)C(=O)[O-]	ZINC000907670053	613881854	/nfs/dbraw/zinc/88/18/54/613881854.db2.gz	VNFIBGBRVCAGEW-RWSFTLGLSA-N	-1	0	295.335	0.718	20	30		CCEDRM
C=CCOC[C@@H](NC(=O)c1ccc(N(C)C)nc1)C(=O)[O-]	ZINC000909770427	613881953	/nfs/dbraw/zinc/88/19/53/613881953.db2.gz	JBFAYARTORUALZ-LLVKDONJSA-N	-1	0	293.323	0.533	20	30		CCEDRM
C=CCOC[C@H](NC(=O)C1CCC(=O)CC1)C(=O)[O-]	ZINC000909770402	613882209	/nfs/dbraw/zinc/88/22/09/613882209.db2.gz	IISICXJLOAMFTH-NSHDSACASA-N	-1	0	269.297	0.518	20	30		CCEDRM
C=CCOC[C@H](NC(=O)Cc1cn(C)nc1C)C(=O)[O-]	ZINC000909769903	613882304	/nfs/dbraw/zinc/88/23/04/613882304.db2.gz	BYRMGSUEYWGNRL-NSHDSACASA-N	-1	0	281.312	0.043	20	30		CCEDRM
C=CCOC[C@H](NC(=O)[C@@H]1CCc2cncn2C1)C(=O)[O-]	ZINC000909769130	613882521	/nfs/dbraw/zinc/88/25/21/613882521.db2.gz	XMPOSJFDBOGZHD-PWSUYJOCSA-N	-1	0	293.323	0.218	20	30		CCEDRM
C=CCOC[C@H](NC(=O)[C@H](C)[C@H]1CCCO1)C(=O)[O-]	ZINC000909767396	613882543	/nfs/dbraw/zinc/88/25/43/613882543.db2.gz	NQWVRHNSIAGSRN-OUAUKWLOSA-N	-1	0	271.313	0.574	20	30		CCEDRM
C=CCO[N-]C(=O)C(=O)Nc1cc(C(F)(F)F)nn1C	ZINC000853973290	613883047	/nfs/dbraw/zinc/88/30/47/613883047.db2.gz	WIMZPTPDXUDLPG-UHFFFAOYSA-N	-1	0	292.217	0.611	20	30		CCEDRM
C=CCO[N-]C(=O)C(=O)Nc1cc(C)nnc1N(C)C	ZINC000850465390	613883053	/nfs/dbraw/zinc/88/30/53/613883053.db2.gz	CEVNFESMSYZVPI-UHFFFAOYSA-N	-1	0	279.300	0.023	20	30		CCEDRM
C=CCO[N-]C(=O)CS(=O)(=O)NC1CCC(C)CC1	ZINC000837046478	613883159	/nfs/dbraw/zinc/88/31/59/613883159.db2.gz	KGJOJSWXZWXGQR-UHFFFAOYSA-N	-1	0	290.385	0.718	20	30		CCEDRM
C=CCO[N-]C(=O)[C@@H]1CC[C@H](CN2CCOCC2)O1	ZINC000821891318	613884343	/nfs/dbraw/zinc/88/43/43/613884343.db2.gz	AYCLUBFQVIHVIA-NEPJUHHUSA-N	-1	0	270.329	0.100	20	30		CCEDRM
C=CCO[N-]C(=O)[C@@H]1CC(=O)N(C)[C@H]1c1cccnc1	ZINC000837046387	613884419	/nfs/dbraw/zinc/88/44/19/613884419.db2.gz	HROFJSGWQRDACI-YPMHNXCESA-N	-1	0	275.308	0.835	20	30		CCEDRM
C=CCO[N-]C(=O)[C@@H]1CC(=O)N(C)[C@@H]1c1cccnc1	ZINC000837046382	613884459	/nfs/dbraw/zinc/88/44/59/613884459.db2.gz	HROFJSGWQRDACI-DGCLKSJQSA-N	-1	0	275.308	0.835	20	30		CCEDRM
C=CCO[N-]C(=O)[C@H]1CC[C@@H](CCC(=O)OC)O1	ZINC000823420992	613884539	/nfs/dbraw/zinc/88/45/39/613884539.db2.gz	ICSAAHMSNHIUPS-VHSXEESVSA-N	-1	0	257.286	0.721	20	30		CCEDRM
C=CCO[N-]C(=O)[C@H]1CC[C@H](C(F)(F)F)NC1=O	ZINC000837043815	613884579	/nfs/dbraw/zinc/88/45/79/613884579.db2.gz	TUIQIGVKSDIEQV-NKWVEPMBSA-N	-1	0	266.219	0.677	20	30		CCEDRM
C=CCS(=O)(=O)[N-]C(=O)Cc1ccccc1C(=O)OC	ZINC000755758013	613886103	/nfs/dbraw/zinc/88/61/03/613886103.db2.gz	JBBUYJWEXRZNJM-UHFFFAOYSA-N	-1	0	297.332	0.648	20	30		CCEDRM
C=CCS(=O)(=O)[N-]C(=O)Cc1ccc(OC)cc1	ZINC000132792463	613886150	/nfs/dbraw/zinc/88/61/50/613886150.db2.gz	GEKRRKGPVJNOPT-UHFFFAOYSA-N	-1	0	269.322	0.870	20	30		CCEDRM
C=CCS(=O)(=O)[N-]C(=O)Cn1ccc(C(F)F)n1	ZINC000860631424	613886233	/nfs/dbraw/zinc/88/62/33/613886233.db2.gz	SZHMEJSGWIDVNC-UHFFFAOYSA-N	-1	0	279.268	0.453	20	30		CCEDRM
C=CCS(=O)(=O)[N-]C(=O)[C@H]1CCOC2(CCC2)C1	ZINC000892883636	613886239	/nfs/dbraw/zinc/88/62/39/613886239.db2.gz	XQNKGXGSXQLEBO-JTQLQIEISA-N	-1	0	273.354	0.968	20	30		CCEDRM
C=CCS(=O)(=O)[N-]C(=O)[C@@H]1CCO[C@H]1c1ccncc1	ZINC000845499448	613886257	/nfs/dbraw/zinc/88/62/57/613886257.db2.gz	UNLCJOCOOKRALX-NEPJUHHUSA-N	-1	0	296.348	0.791	20	30		CCEDRM
C=CCS(=O)(=O)[N-]C(=O)c1c2c(nn1C)CCCC2	ZINC000892882270	613886285	/nfs/dbraw/zinc/88/62/85/613886285.db2.gz	GMQSUZODAGVNBF-UHFFFAOYSA-N	-1	0	283.353	0.545	20	30		CCEDRM
C=CCS(=O)(=O)[N-]C(=O)c1ccn(C(C)(C)C)n1	ZINC000847670359	613886369	/nfs/dbraw/zinc/88/63/69/613886369.db2.gz	XRYFPYLBAWEJPL-UHFFFAOYSA-N	-1	0	271.342	0.884	20	30		CCEDRM
CC(C)NC(=O)C(C#N)=C([O-])c1ccc([N+](=O)[O-])n1C	ZINC000916946657	613930863	/nfs/dbraw/zinc/93/08/63/613930863.db2.gz	CXLKFABNURVEHY-QMMMGPOBSA-N	-1	0	278.268	0.780	20	30		CCEDRM
CC(C)(C)N1C[C@@H](NC(=O)[C@](C)(C#N)CC(=O)[O-])CC1=O	ZINC000819821662	613944912	/nfs/dbraw/zinc/94/49/12/613944912.db2.gz	IZSSDMQJSZWBOB-XPTSAGLGSA-N	-1	0	295.339	0.507	20	30		CCEDRM
CC(C)(C)OC(=O)Cn1cnc(-c2nnn[n-]2)c1C#N	ZINC000824098857	613970255	/nfs/dbraw/zinc/97/02/55/613970255.db2.gz	CARZOABANSRHPE-UHFFFAOYSA-N	-1	0	275.272	0.277	20	30		CCEDRM
CC(C)OC[C@@H](C(=O)[O-])N(C)C(=O)c1cc(C#N)c[nH]1	ZINC000827006742	614025638	/nfs/dbraw/zinc/02/56/38/614025638.db2.gz	OAPWXYUXAHOQKM-NSHDSACASA-N	-1	0	279.296	0.837	20	30		CCEDRM
CC(C)(CO)CCCNC(=O)[C@@](C)(C#N)CC(=O)[O-]	ZINC000819948175	614117906	/nfs/dbraw/zinc/11/79/06/614117906.db2.gz	FBGHMVPHPPACAH-CYBMUJFWSA-N	-1	0	270.329	0.906	20	30		CCEDRM
CC(C)[C@@](C)(C#N)NC(=O)COC(=O)[C@@H](C)CC(=O)[O-]	ZINC000827335238	614180956	/nfs/dbraw/zinc/18/09/56/614180956.db2.gz	YTAKIXSKCIBFAT-TVQRCGJNSA-N	-1	0	284.312	0.695	20	30		CCEDRM
CC(C)[C@H](C)C(=O)N1CCN(C(=O)[O-])C[C@H]1C#N	ZINC000824063729	614197786	/nfs/dbraw/zinc/19/77/86/614197786.db2.gz	DYWYALIBYQPIQS-VHSXEESVSA-N	-1	0	253.302	0.993	20	30		CCEDRM
CC(C)C[C@H](NC(=O)[O-])C(=O)NC1=NO[C@H](C)C1	ZINC000833479113	614219715	/nfs/dbraw/zinc/21/97/15/614219715.db2.gz	KURRBMCXWABPPI-SFYZADRCSA-N	-1	0	257.290	0.907	20	30		CCEDRM
CC(C)[C@H](NC(=O)[O-])C(=O)NCC(=O)OCC1(C#N)CC1	ZINC000833797957	614234141	/nfs/dbraw/zinc/23/41/41/614234141.db2.gz	SFNWCXGHTGSGTG-JTQLQIEISA-N	-1	0	297.311	0.242	20	30		CCEDRM
CC(C)[C@H](NC(=O)[O-])C(=O)O[C@H](C)C(=O)N(C)CCC#N	ZINC000825598228	614235074	/nfs/dbraw/zinc/23/50/74/614235074.db2.gz	HEPRQISUEFCXEV-ZJUUUORDSA-N	-1	0	299.327	0.582	20	30		CCEDRM
CC(C)(C#N)CNC(=O)N1CCO[C@@H](CC(=O)[O-])C1	ZINC000833413134	614285454	/nfs/dbraw/zinc/28/54/54/614285454.db2.gz	KDNDVPJSQYEBQV-VIFPVBQESA-N	-1	0	269.301	0.421	20	30		CCEDRM
CC(C)N(CC(=O)[O-])C(=O)[C@H](O)c1ccc(C#N)cc1	ZINC000819996371	614287564	/nfs/dbraw/zinc/28/75/64/614287564.db2.gz	LHURFOHJLHIFKO-CYBMUJFWSA-N	-1	0	276.292	0.913	20	30		CCEDRM
CC(C)(C#N)CS(=O)(=O)NC1(C(=O)[O-])CCCC1	ZINC000833412682	614287585	/nfs/dbraw/zinc/28/75/85/614287585.db2.gz	DXGFBBOFDKVFOT-UHFFFAOYSA-N	-1	0	274.342	0.853	20	30		CCEDRM
CC(C)N(CCC#N)C(=O)C[C@@H]1CN(C(=O)[O-])CCO1	ZINC000824335884	614290448	/nfs/dbraw/zinc/29/04/48/614290448.db2.gz	IGRMMCYWSITYMO-LLVKDONJSA-N	-1	0	283.328	0.906	20	30		CCEDRM
CC(C[C@@H](C)NC(=O)[O-])=NN1CC(=O)N(C)C1=O	ZINC000833801515	614382382	/nfs/dbraw/zinc/38/23/82/614382382.db2.gz	KPTGOXDSLIICHD-ZCFIWIBFSA-N	-1	0	256.262	0.303	20	30		CCEDRM
CCC(C#N)(CC)C(=O)N1CCO[C@@H](c2nnn[n-]2)C1	ZINC000859278276	614470164	/nfs/dbraw/zinc/47/01/64/614470164.db2.gz	OGYJGSAFGQRHIR-SECBINFHSA-N	-1	0	278.316	0.430	20	30		CCEDRM
CCCc1nc(C)c(C(=O)N[C@H]2CCN(O)C2=O)o1	ZINC000820137430	614492152	/nfs/dbraw/zinc/49/21/52/614492152.db2.gz	NFEYSMBFISCHRM-QMMMGPOBSA-N	-1	0	267.285	0.655	20	30		CCEDRM
CC1(C)CC[C@H](Cn2c(=O)[n-]cc(C#N)c2=O)OC1	ZINC000865369858	614575071	/nfs/dbraw/zinc/57/50/71/614575071.db2.gz	JCXAPNGXFFYMSW-SNVBAGLBSA-N	-1	0	263.297	0.613	20	30		CCEDRM
CCC1(S(=O)(=O)[N-]C(=O)c2ccc(C#N)nc2)CC1	ZINC000835532799	614711177	/nfs/dbraw/zinc/71/11/77/614711177.db2.gz	FBUAHFLUZNJOCY-UHFFFAOYSA-N	-1	0	279.321	0.955	20	30		CCEDRM
CCC(=O)N1CC[C@H](NC(=O)[C@@](C)(C#N)CC(=O)[O-])C1	ZINC000820256800	614725182	/nfs/dbraw/zinc/72/51/82/614725182.db2.gz	JPCQOVWHXHDPCN-TVQRCGJNSA-N	-1	0	281.312	0.118	20	30		CCEDRM
CCCCCCCS(=O)(=O)N1CC[C@](O)(C(=O)[O-])C1	ZINC000903017700	614903522	/nfs/dbraw/zinc/90/35/22/614903522.db2.gz	XQSQBBPICGCNTA-GFCCVEGCSA-N	-1	0	293.385	0.808	20	30		CCEDRM
CCCCCCNC(=O)Cn1c(=O)[n-]cc(C#N)c1=O	ZINC000842615479	614911767	/nfs/dbraw/zinc/91/17/67/614911767.db2.gz	LYEPZGHVYGMWHM-UHFFFAOYSA-N	-1	0	278.312	0.105	20	30		CCEDRM
CCN(CC#N)C(=O)CO[C@H]1CCCN(C(=O)[O-])C1	ZINC000826992197	614923111	/nfs/dbraw/zinc/92/31/11/614923111.db2.gz	DEYVKQMZZIXHCI-JTQLQIEISA-N	-1	0	269.301	0.517	20	30		CCEDRM
CCCS(=O)(=O)N1CCC(C#CC(=O)[O-])CC1	ZINC000844816261	614964159	/nfs/dbraw/zinc/96/41/59/614964159.db2.gz	LDGCEFNLZWTTHH-UHFFFAOYSA-N	-1	0	259.327	0.526	20	30		CCEDRM
CCCS(=O)(=O)[N-]C(=O)c1cc(C#N)oc1C	ZINC000797950288	614966419	/nfs/dbraw/zinc/96/64/19/614966419.db2.gz	OXCVMSPEVZTOFF-UHFFFAOYSA-N	-1	0	256.283	0.929	20	30		CCEDRM
CCCS(=O)(=O)[N-]C(=O)c1cc(C)c(C#N)cn1	ZINC000838807152	614966839	/nfs/dbraw/zinc/96/68/39/614966839.db2.gz	NQLOFGDTLZVVDT-UHFFFAOYSA-N	-1	0	267.310	0.731	20	30		CCEDRM
CC1=CC(=O)C(=C([O-])C=Cc2cnccn2)C(=O)O1	ZINC000809152272	614968631	/nfs/dbraw/zinc/96/86/31/614968631.db2.gz	PCQUDYXVEWGUPO-DLGQBQFBSA-N	-1	0	258.233	0.705	20	30		CCEDRM
Cc1[n-][nH]c(=O)c1Sc1nc(C)nc(C)c1C#N	ZINC000916563487	614973684	/nfs/dbraw/zinc/97/36/84/614973684.db2.gz	YBPLLPYYTHPQKI-VIFPVBQESA-N	-1	0	261.310	0.932	20	30		CCEDRM
CC1CC(C#N)(C(=O)N2CC[C@@H](NC(=O)[O-])C2)C1	ZINC000825779165	615010836	/nfs/dbraw/zinc/01/08/36/615010836.db2.gz	WINZMOCVCYKSPZ-NBBOBHDQSA-N	-1	0	251.286	0.795	20	30		CCEDRM
CCN(CCC(=O)OC)C(=O)[C@@](C)(C#N)CC(=O)[O-]	ZINC000820343928	615035480	/nfs/dbraw/zinc/03/54/80/615035480.db2.gz	CCRHAHRTNAFBIR-GFCCVEGCSA-N	-1	0	270.285	0.403	20	30		CCEDRM
CCN(C[C@@H](C)C#N)C(=O)[C@@H]1CN(C(=O)[O-])CCO1	ZINC000827019798	615061958	/nfs/dbraw/zinc/06/19/58/615061958.db2.gz	DNCQBWBNFXTJIJ-UWVGGRQHSA-N	-1	0	269.301	0.373	20	30		CCEDRM
CCOC(=O)C1(CNC(=O)[C@](C)(C#N)CC(=O)[O-])CCC1	ZINC000820364800	615157389	/nfs/dbraw/zinc/15/73/89/615157389.db2.gz	XJFQDWLCDAFEGN-ZDUSSCGKSA-N	-1	0	296.323	0.841	20	30		CCEDRM
CCOCCCNC(=O)C(C#N)=C([O-])c1cnnn1CC	ZINC000815904875	615244475	/nfs/dbraw/zinc/24/44/75/615244475.db2.gz	SFANXWYUHOLOLU-JTQLQIEISA-N	-1	0	293.327	0.163	20	30		CCEDRM
CCO[N-]C(=O)C(=O)Nc1ccc(F)c(C#N)c1	ZINC000134746641	615355345	/nfs/dbraw/zinc/35/53/45/615355345.db2.gz	PICCSCVNZBXVOI-UHFFFAOYSA-N	-1	0	251.217	0.704	20	30		CCEDRM
CC[C@@H](NN=C1CCCS(=O)(=O)CC1)C(=O)[O-]	ZINC000853348854	615536320	/nfs/dbraw/zinc/53/63/20/615536320.db2.gz	OFNYHKULLQFVSO-SECBINFHSA-N	-1	0	262.331	0.394	20	30		CCEDRM
CC[C@@]1(C)NC(=O)N(N=Cc2c(C(=O)[O-])cnn2C)C1=O	ZINC000848403245	615598073	/nfs/dbraw/zinc/59/80/73/615598073.db2.gz	RAAVSDGXYLXVIE-GFCCVEGCSA-N	-1	0	293.283	0.173	20	30		CCEDRM
CC[C@H](/N=C\c1c(O)c(C)ncc1CO)C(=O)[O-]	ZINC000828901540	615599665	/nfs/dbraw/zinc/59/96/65/615599665.db2.gz	VMMZSRATBUUVRX-YXBHYIBOSA-N	-1	0	252.270	0.870	20	30		CCEDRM
CC[C@H](C#N)C(=O)N[C@@H](c1nnn[n-]1)c1ccccc1	ZINC000846632219	615599901	/nfs/dbraw/zinc/59/99/01/615599901.db2.gz	KHQNZIIJQDGQEA-MWLCHTKSSA-N	-1	0	270.296	0.955	20	30		CCEDRM
CC[C@H](C#N)NS(=O)(=O)c1cc(C(=O)[O-])n(C)c1	ZINC000833636002	615600026	/nfs/dbraw/zinc/60/00/26/615600026.db2.gz	DHUKOTJQDWGCIT-SSDOTTSWSA-N	-1	0	271.298	0.304	20	30		CCEDRM
CCc1c(C(=O)[N-]S(=O)(=O)CC2(C#N)CC2)ccn1C	ZINC000810669210	615604302	/nfs/dbraw/zinc/60/43/02/615604302.db2.gz	OWJZCKDUVKYDTO-UHFFFAOYSA-N	-1	0	295.364	0.951	20	30		CCEDRM
CCn1ncc(C([O-])=C(C#N)C(=O)N2CCCC2)n1	ZINC000815905024	615694493	/nfs/dbraw/zinc/69/44/93/615694493.db2.gz	XLSWTHLJLNSFTA-SECBINFHSA-N	-1	0	261.285	0.243	20	30		CCEDRM
CCn1ncc(C([O-])=C(C#N)C(=O)NC2CC2)c1C	ZINC000870142268	615694623	/nfs/dbraw/zinc/69/46/23/615694623.db2.gz	HUCIVDLRJLKHDI-JTQLQIEISA-N	-1	0	260.297	0.813	20	30		CCEDRM
CC[C@H](CNS(=O)(=O)N(C)C[C@H](C)C#N)C(=O)[O-]	ZINC000844785651	615726712	/nfs/dbraw/zinc/72/67/12/615726712.db2.gz	MXRRCBAPCXKGNP-RKDXNWHRSA-N	-1	0	277.346	0.023	20	30		CCEDRM
CCc1ncc(NC(=O)[C@@](C)(C#N)CC(=O)[O-])cn1	ZINC000820498586	615775238	/nfs/dbraw/zinc/77/52/38/615775238.db2.gz	QWFLKSQDXCQTFK-GFCCVEGCSA-N	-1	0	262.269	0.982	20	30		CCEDRM
CC[C@H](NC(=O)[O-])C(=O)OCC(=O)N[C@](C)(C#N)C(C)C	ZINC000827538762	615805662	/nfs/dbraw/zinc/80/56/62/615805662.db2.gz	JHARCSYEGOFAPK-TVQRCGJNSA-N	-1	0	299.327	0.630	20	30		CCEDRM
CCc1nnc(COC(=O)[C@](C)(C#N)CC(=O)[O-])n1C	ZINC000820504043	615815078	/nfs/dbraw/zinc/81/50/78/615815078.db2.gz	QQUCUMLEVYHSQD-LBPRGKRZSA-N	-1	0	280.284	0.425	20	30		CCEDRM
CC[C@H](NN=Cc1c2c(nn1C)CCSC2)C(=O)[O-]	ZINC000884471184	615819758	/nfs/dbraw/zinc/81/97/58/615819758.db2.gz	NOLHYSYMQXQPBA-VIFPVBQESA-N	-1	0	282.369	0.996	20	30		CCEDRM
CCc1nnsc1C(=O)N1CCN(C(=O)[O-])C[C@H]1C#N	ZINC000827663965	615824212	/nfs/dbraw/zinc/82/42/12/615824212.db2.gz	SZDYHIUTYCMQNK-SSDOTTSWSA-N	-1	0	295.324	0.428	20	30		CCEDRM
CC[C@H](OC(=O)CNC(=O)c1ccc(C#N)cc1)C(=O)[O-]	ZINC000833647007	615845817	/nfs/dbraw/zinc/84/58/17/615845817.db2.gz	ZPBZYCGXRYGNNB-NSHDSACASA-N	-1	0	290.275	0.694	20	30		CCEDRM
CN(C(=O)c1cc(C(=O)[O-])nn1C)[C@@H]1CCC[C@H]1C#N	ZINC000864056943	615894034	/nfs/dbraw/zinc/89/40/34/615894034.db2.gz	FTEHBPCHYKBCSW-WCBMZHEXSA-N	-1	0	276.296	0.883	20	30		CCEDRM
CC[C@](C)(CC(=O)[O-])NS(=O)(=O)CCCC#N	ZINC000828672132	615943900	/nfs/dbraw/zinc/94/39/00/615943900.db2.gz	NLEVKZISUWZFPF-SNVBAGLBSA-N	-1	0	262.331	0.853	20	30		CCEDRM
CCn1ccc(C(=O)[N-]S(=O)(=O)CC2(C#N)CC2)n1	ZINC000842753466	616020856	/nfs/dbraw/zinc/02/08/56/616020856.db2.gz	GIESNLZURDMQCJ-UHFFFAOYSA-N	-1	0	282.325	0.266	20	30		CCEDRM
CCn1ccc(C([O-])=C(C#N)C(=O)NCCCOC)n1	ZINC000842681231	616025125	/nfs/dbraw/zinc/02/51/25/616025125.db2.gz	ISMLCILQIODPTK-SNVBAGLBSA-N	-1	0	278.312	0.378	20	30		CCEDRM
CN(CCC#N)Cc1nc(C(C)(C)NC(=O)[O-])no1	ZINC000828273352	616067904	/nfs/dbraw/zinc/06/79/04/616067904.db2.gz	MJABZCCAWXQGKY-UHFFFAOYSA-N	-1	0	267.289	0.918	20	30		CCEDRM
CN(Cc1cnccn1)C(=O)[C@@](C)(C#N)CC(=O)[O-]	ZINC000820607588	616094302	/nfs/dbraw/zinc/09/43/02/616094302.db2.gz	JKXHHEAZTJPCKE-GFCCVEGCSA-N	-1	0	262.269	0.440	20	30		CCEDRM
CN(CCNC(=O)c1cc(C#N)cs1)C(=O)[O-]	ZINC000828330194	616095346	/nfs/dbraw/zinc/09/53/46/616095346.db2.gz	UUHWCWRHBDXDDP-UHFFFAOYSA-N	-1	0	253.283	0.959	20	30		CCEDRM
CN(C[C@H]1CCN(C(=O)c2cc(C#N)c[nH]2)C1)C(=O)[O-]	ZINC000828252979	616155326	/nfs/dbraw/zinc/15/53/26/616155326.db2.gz	DXIMOGCMTKQEOJ-SECBINFHSA-N	-1	0	276.296	0.958	20	30		CCEDRM
COC(C)(C)CCS(=O)(=O)[N-]C(=O)[C@H](C)CC#N	ZINC000850989442	616293400	/nfs/dbraw/zinc/29/34/00/616293400.db2.gz	BFYRXYXBVXIUGV-SECBINFHSA-N	-1	0	276.358	0.797	20	30		CCEDRM
COCCNC(=O)C(C#N)=C([O-])c1cccc(N(C)C)c1	ZINC000802040053	616496592	/nfs/dbraw/zinc/49/65/92/616496592.db2.gz	FEWBIBYPTPODEQ-CYBMUJFWSA-N	-1	0	289.335	0.838	20	30		CCEDRM
COCCNC(=O)C(C#N)=C([O-])c1ccc([N+](=O)[O-])n1C	ZINC000916890651	616496708	/nfs/dbraw/zinc/49/67/08/616496708.db2.gz	KDQJGKXKRKXMGQ-MRVPVSSYSA-N	-1	0	294.267	0.018	20	30		CCEDRM
CNC(=O)CC1CCN(C(=O)[C@](C)(C#N)CC(=O)[O-])CC1	ZINC000820630188	616562612	/nfs/dbraw/zinc/56/26/12/616562612.db2.gz	BSZJXXJROOCDIN-AWEZNQCLSA-N	-1	0	295.339	0.366	20	30		CCEDRM
COC(=O)CN(CC#N)Cc1ccc(C(=O)[O-])cc1	ZINC000820668211	616588610	/nfs/dbraw/zinc/58/86/10/616588610.db2.gz	PJGWYZHIGXKXGI-UHFFFAOYSA-N	-1	0	262.265	0.883	20	30		CCEDRM
COCCOc1ccccc1C=Nn1c(=O)[n-][nH]c1=O	ZINC000814233090	616596717	/nfs/dbraw/zinc/59/67/17/616596717.db2.gz	AJZOFLDIBMDRPT-UHFFFAOYSA-N	-1	0	278.268	0.597	20	30		CCEDRM
COCCS(=O)(=O)[N-]C(=O)c1ccc(C)c(C#N)c1	ZINC000799609377	616610036	/nfs/dbraw/zinc/61/00/36/616610036.db2.gz	GICKHFHWHQSQEU-UHFFFAOYSA-N	-1	0	282.321	0.573	20	30		CCEDRM
COC(=O)COc1ccc(C=Nn2c(=O)[n-][nH]c2=O)cc1	ZINC000814232072	616617694	/nfs/dbraw/zinc/61/76/94/616617694.db2.gz	URORQDQDFOETFW-UHFFFAOYSA-N	-1	0	292.251	0.123	20	30		CCEDRM
COC[C@H](C)[C@H](C)C(=O)[N-]S(=O)(=O)CCCC#N	ZINC000813080239	616637495	/nfs/dbraw/zinc/63/74/95/616637495.db2.gz	DKAVROCXAONRHS-UWVGGRQHSA-N	-1	0	276.358	0.655	20	30		CCEDRM
COCC(COC)NN=Cc1cc([N+](=O)[O-])ccc1[O-]	ZINC000863196902	616736740	/nfs/dbraw/zinc/73/67/40/616736740.db2.gz	ZIYWSIOSQIVAMV-UHFFFAOYSA-N	-1	0	283.284	0.885	20	30		CCEDRM
COC(=O)[C@]1(F)CCN(C(=O)[C@@](C)(C#N)CC(=O)[O-])C1	ZINC000820654136	616769253	/nfs/dbraw/zinc/76/92/53/616769253.db2.gz	XTCCYCKKWULMEP-NEPJUHHUSA-N	-1	0	286.259	0.105	20	30		CCEDRM
CNC(=O)C(C#N)=C([O-])c1ccc(-n2cncn2)cc1	ZINC000917002412	616776760	/nfs/dbraw/zinc/77/67/60/616776760.db2.gz	JVBVSJGAMKVUQH-NSHDSACASA-N	-1	0	269.264	0.336	20	30		CCEDRM
CNC(=O)C(C#N)=C([O-])c1nn(-c2ccccc2)cc1OC	ZINC000917002650	616778162	/nfs/dbraw/zinc/77/81/62/616778162.db2.gz	MKMXMWRNCBIUDX-NSHDSACASA-N	-1	0	298.302	0.949	20	30		CCEDRM
COCC1(S(=O)(=O)[N-]C(=O)c2ccnc(C#N)c2)CC1	ZINC000811154579	616801162	/nfs/dbraw/zinc/80/11/62/616801162.db2.gz	IZBBXEGAGUQZPM-UHFFFAOYSA-N	-1	0	295.320	0.192	20	30		CCEDRM
COCC1(S(=O)(=O)[N-]C(=O)c2cc(C#N)oc2C)CC1	ZINC000811157888	616801387	/nfs/dbraw/zinc/80/13/87/616801387.db2.gz	VHDBAINBFBRHSW-UHFFFAOYSA-N	-1	0	298.320	0.698	20	30		CCEDRM
COC(=O)N1CCC(NC(=O)[C@@](C)(C#N)CC(=O)[O-])CC1	ZINC000820673284	616823516	/nfs/dbraw/zinc/82/35/16/616823516.db2.gz	YQFZHKIKFTUDGC-CYBMUJFWSA-N	-1	0	297.311	0.338	20	30		CCEDRM
CNC(=O)C(C#N)=C([O-])c1nnc2ccccc2n1	ZINC000810534003	616839468	/nfs/dbraw/zinc/83/94/68/616839468.db2.gz	BWKLSXRTMVRLFA-SSDOTTSWSA-N	-1	0	255.237	0.093	20	30		CCEDRM
CNC(=O)C(C#N)=C([O-])c1cc(S(C)(=O)=O)ccc1C	ZINC000917001683	616839491	/nfs/dbraw/zinc/83/94/91/616839491.db2.gz	ASPATELQLIIPMQ-LLVKDONJSA-N	-1	0	294.332	0.467	20	30		CCEDRM
CNC(=O)C(C#N)=C([O-])c1nc(C)cc(C(F)(F)F)n1	ZINC000873498674	616839616	/nfs/dbraw/zinc/83/96/16/616839616.db2.gz	SIXBAPLGDAUFIF-ZCFIWIBFSA-N	-1	0	286.213	0.872	20	30		CCEDRM
CNC(=O)C(C#N)=C([O-])c1ccc([N+](=O)[O-])n1C	ZINC000917004881	616839678	/nfs/dbraw/zinc/83/96/78/616839678.db2.gz	DHBOTAJIJIRMRR-ZCFIWIBFSA-N	-1	0	250.214	0.002	20	30		CCEDRM
COC[C@]1(C(=O)[O-])CCN(C(=O)C2(C#N)CCC2)C1	ZINC000902306457	616856887	/nfs/dbraw/zinc/85/68/87/616856887.db2.gz	NECDTEVYRZSKKP-ZDUSSCGKSA-N	-1	0	266.297	0.630	20	30		CCEDRM
CNC(=S)NN=Cc1cc(C(=O)[O-])ccc1N(C)C	ZINC000901122475	616932032	/nfs/dbraw/zinc/93/20/32/616932032.db2.gz	CSNKBSPDKCJJPR-UHFFFAOYSA-N	-1	0	280.353	0.879	20	30		CCEDRM
COC(=O)[C@@H](C)Oc1ccccc1C=NNCC(=O)[O-]	ZINC000901247637	616950740	/nfs/dbraw/zinc/95/07/40/616950740.db2.gz	IWWMHQUCAOPIIZ-SECBINFHSA-N	-1	0	280.280	0.635	20	30		CCEDRM
COC(=O)[C@@H](CC(=O)[O-])NC(=O)c1cc(C#N)cs1	ZINC000831065640	616953382	/nfs/dbraw/zinc/95/33/82/616953382.db2.gz	FQJDNEVUEYHMFS-SSDOTTSWSA-N	-1	0	282.277	0.366	20	30		CCEDRM
COCCN(C)S(=O)(=O)[N-]C(=O)CCCCC#N	ZINC000847660237	616969571	/nfs/dbraw/zinc/96/95/71/616969571.db2.gz	MAFRWNYTMKADFH-UHFFFAOYSA-N	-1	0	277.346	0.010	20	30		CCEDRM
COC(=O)c1cncc(NC(=O)[C@@](C)(C#N)CC(=O)[O-])c1	ZINC000820693984	616992981	/nfs/dbraw/zinc/99/29/81/616992981.db2.gz	VXGGTRFCOBYXON-CYBMUJFWSA-N	-1	0	291.263	0.811	20	30		CCEDRM
CO[C@H](CC(=O)N[C@H]1CCCN(O)C1=O)C(F)(F)F	ZINC000848130197	617081140	/nfs/dbraw/zinc/08/11/40/617081140.db2.gz	GOSXEBVAGUXQRA-NKWVEPMBSA-N	-1	0	284.234	0.450	20	30		CCEDRM
CON=C(C(=O)[N-]OC1CCC1)c1csc(N)n1	ZINC000823302958	617102776	/nfs/dbraw/zinc/10/27/76/617102776.db2.gz	UZIYXGLHZYYBFG-UHFFFAOYSA-N	-1	0	270.314	0.676	20	30		CCEDRM
COc1cc(C(=O)N[C@@]2(C(=O)[O-])CCOC2)ccc1C#N	ZINC000852958171	617165582	/nfs/dbraw/zinc/16/55/82/617165582.db2.gz	FQAGKIHHGIRGQD-AWEZNQCLSA-N	-1	0	290.275	0.540	20	30		CCEDRM
CO[C@@H]1CCCN(C(=O)[C@](C)(C#N)CC(=O)[O-])C1	ZINC000820702933	617172266	/nfs/dbraw/zinc/17/22/66/617172266.db2.gz	JWYRBJBIRAVVCQ-SKDRFNHKSA-N	-1	0	254.286	0.628	20	30		CCEDRM
C[C@H](CC#N)C(=O)[N-]S(=O)(=O)C1(Cl)CC1	ZINC000893235657	625389957	/nfs/dbraw/zinc/38/99/57/625389957.db2.gz	XYDWYOVRLISREJ-ZCFIWIBFSA-N	-1	0	250.707	0.711	20	30		CCEDRM
N#Cc1ccc(S(=O)(=O)[N-]C(=O)COC2CC2)cc1	ZINC000892412054	623181323	/nfs/dbraw/zinc/18/13/23/623181323.db2.gz	AACJJFSMTYYNEN-UHFFFAOYSA-N	-1	0	280.305	0.542	20	30		CCEDRM
Cc1n[nH]c(C(=O)N[C@@H]2CCN(CC#N)[C@H](C)C2)c1[O-]	ZINC000947205216	623216701	/nfs/dbraw/zinc/21/67/01/623216701.db2.gz	NQDBCQFVPXECGF-PSASIEDQSA-N	-1	0	277.328	0.530	20	30		CCEDRM
C[C@H]1CO[C@H](C(=O)[N-]S(=O)(=O)CC(C)(C)C#N)C1	ZINC000892932978	623866710	/nfs/dbraw/zinc/86/67/10/623866710.db2.gz	OACWQGJBJIANFR-BDAKNGLRSA-N	-1	0	274.342	0.407	20	30		CCEDRM
C[C@H](C#N)C[N-]S(=O)(=O)N=S1(=O)CCCC1	ZINC000866895141	625691417	/nfs/dbraw/zinc/69/14/17/625691417.db2.gz	OVKBNZNYJMAZPX-MRVPVSSYSA-N	-1	0	265.360	0.242	20	30		CCEDRM
CCN(C[C@H](C)C#N)S(=O)(=O)NCC[C@H](C)C(=O)[O-]	ZINC000844785247	624706293	/nfs/dbraw/zinc/70/62/93/624706293.db2.gz	KNFBMRGMGOKOLC-ZJUUUORDSA-N	-1	0	291.373	0.413	20	30		CCEDRM
C=CCN(CC(=O)[O-])C(=O)[C@H]1CC(=O)N(CC(C)C)C1	ZINC000092462614	624851178	/nfs/dbraw/zinc/85/11/78/624851178.db2.gz	SUUDUNNZANSQID-NSHDSACASA-N	-1	0	282.340	0.590	20	30		CCEDRM
C[C@H](Oc1ccc(C#N)cc1)C(=O)NCCOCC(=O)[O-]	ZINC000093227206	624852641	/nfs/dbraw/zinc/85/26/41/624852641.db2.gz	RGFHUORNKKOASU-JTQLQIEISA-N	-1	0	292.291	0.543	20	30		CCEDRM
N#Cc1ccc(N2CCN(C(=O)CCC(=O)[O-])CC2)cn1	ZINC000902628504	634418624	/nfs/dbraw/zinc/41/86/24/634418624.db2.gz	WEBIRSZZEBHCLE-UHFFFAOYSA-N	-1	0	288.307	0.467	20	30		CCEDRM
CS(=O)(=O)[N-]C(=O)[C@H]1CC(=O)N(c2ccccc2)C1	ZINC000048480871	631723252	/nfs/dbraw/zinc/72/32/52/631723252.db2.gz	PCYQBZREMRBWIL-VIFPVBQESA-N	-1	0	282.321	0.956	20	30		CCEDRM
N#Cc1cccc(S(=O)(=O)[N-]C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])c1	ZINC000048519540	631729076	/nfs/dbraw/zinc/72/90/76/631729076.db2.gz	JWXOFKYEXQUUBL-NXEZZACHSA-N	-1	0	295.276	0.869	20	30		CCEDRM
CCCCS(=O)(=O)[N-]C(=O)Cn1ccc([N+](=O)[O-])n1	ZINC000048619401	631747541	/nfs/dbraw/zinc/74/75/41/631747541.db2.gz	PYHWCTDWJYJAMN-UHFFFAOYSA-N	-1	0	290.301	0.878	20	30		CCEDRM
Cc1[nH]nc(C(=O)N2CC[C@@H](NCC#N)[C@H]2C)c1[O-]	ZINC000986155749	632723149	/nfs/dbraw/zinc/72/31/49/632723149.db2.gz	CNSHDUJJEAXGMM-RKDXNWHRSA-N	-1	0	263.301	0.140	20	30		CCEDRM
COCCNC(=O)C(C#N)=C([O-])c1sc(C)nc1C	ZINC000193415028	633341569	/nfs/dbraw/zinc/34/15/69/633341569.db2.gz	CMKYIWLHXNLWIM-VIFPVBQESA-N	-1	0	281.337	0.845	20	30		CCEDRM
O=C([O-])C#C[C@H]1CCCN(S(=O)(=O)CCCF)C1	ZINC000899925715	633923471	/nfs/dbraw/zinc/92/34/71/633923471.db2.gz	GSIRSPYRVGAAMN-SNVBAGLBSA-N	-1	0	277.317	0.476	20	30		CCEDRM
O=C([O-])C#C[C@H]1CCCN(S(=O)(=O)c2ccoc2)C1	ZINC000899925475	633923515	/nfs/dbraw/zinc/92/35/15/633923515.db2.gz	DUWFMKBJLHSDHZ-SNVBAGLBSA-N	-1	0	283.305	0.768	20	30		CCEDRM
O=C([O-])C#C[C@H]1CCCN(S(=O)(=O)N2CCCC2)C1	ZINC000899929728	633924735	/nfs/dbraw/zinc/92/47/35/633924735.db2.gz	JRUUXEJRIODWJL-LLVKDONJSA-N	-1	0	286.353	0.127	20	30		CCEDRM
N#Cc1ccc(CC(=O)N2CCC(C(=O)[O-])CC2)cn1	ZINC000901431725	634244671	/nfs/dbraw/zinc/24/46/71/634244671.db2.gz	YLALKJDCNSYTCP-UHFFFAOYSA-N	-1	0	273.292	0.819	20	30		CCEDRM
CC(C)(C#N)CS(=O)(=O)N(CC(=O)[O-])C1CC1	ZINC000905984951	634944129	/nfs/dbraw/zinc/94/41/29/634944129.db2.gz	AFHLRMHNIQVXMT-UHFFFAOYSA-N	-1	0	260.315	0.415	20	30		CCEDRM
C[C@@H]1SC[C@@H](C(=O)[O-])N1S(=O)(=O)CC(C)(C)C#N	ZINC000905985156	634944316	/nfs/dbraw/zinc/94/43/16/634944316.db2.gz	DVLGMOZGXKWGMR-YUMQZZPRSA-N	-1	0	292.382	0.714	20	30		CCEDRM
N#CCC1CN(S(=O)(=O)c2ccc(C(=O)[O-])cc2)C1	ZINC000907039854	635065770	/nfs/dbraw/zinc/06/57/70/635065770.db2.gz	WOJDKZLMRUKGIC-UHFFFAOYSA-N	-1	0	280.305	0.919	20	30		CCEDRM
C[C@]1(C(=O)[O-])CN(C(=O)C2(C#N)CCSCC2)CCO1	ZINC000907747446	635203461	/nfs/dbraw/zinc/20/34/61/635203461.db2.gz	SJMSVFXOXHGKAL-GFCCVEGCSA-N	-1	0	298.364	0.725	20	30		CCEDRM
N#CCSCC(=O)[N-]S(=O)(=O)C1CCCC1	ZINC000151212695	636782894	/nfs/dbraw/zinc/78/28/94/636782894.db2.gz	VEFNFPBYYKRRPM-UHFFFAOYSA-N	-1	0	262.356	0.632	20	30		CCEDRM
C=C(Br)CNC(=O)N[C@H](CCOC)C(=O)[O-]	ZINC000168362086	636997274	/nfs/dbraw/zinc/99/72/74/636997274.db2.gz	SFGYCFSLBFJZFK-SSDOTTSWSA-N	-1	0	295.133	0.684	20	30		CCEDRM
O=[N+]([O-])c1cc(C=NN[C@@H]2CCS(=O)(=O)C2)ccc1[O-]	ZINC000916239790	637893728	/nfs/dbraw/zinc/89/37/28/637893728.db2.gz	LNSBBCUHSVASOU-SECBINFHSA-N	-1	0	299.308	0.411	20	30		CCEDRM
Cc1nnc(NN=Cc2ccc(O)c(O)c2O)[n-]c1=O	ZINC000916282423	637895599	/nfs/dbraw/zinc/89/55/99/637895599.db2.gz	FBTRJPYTYMSJDC-UHFFFAOYSA-N	-1	0	277.240	0.448	20	30		CCEDRM
O=C1[N-]C(=O)C(=NNc2ccc(F)c(F)c2)C(=O)N1	ZINC000921204789	638161436	/nfs/dbraw/zinc/16/14/36/638161436.db2.gz	SLPGTAJKOBTZRS-UHFFFAOYSA-N	-1	0	268.179	0.099	20	30		CCEDRM
N#CC1(C(=O)N2CCSC[C@@H](C(=O)[O-])C2)CCC1	ZINC000923103943	640021449	/nfs/dbraw/zinc/02/14/49/640021449.db2.gz	VUFVHRFTNDQDOS-VIFPVBQESA-N	-1	0	268.338	0.956	20	30		CCEDRM
N#Cc1c[n-]n2c1nc(COC(=O)C#CC1CC1)cc2=O	ZINC000838369501	640250695	/nfs/dbraw/zinc/25/06/95/640250695.db2.gz	QFULSOPZQOTWIC-UHFFFAOYSA-N	-1	0	282.259	0.763	20	30		CCEDRM
N#Cc1cccc(-n2ccc(C(=O)[N-]N3CN=NC3=O)n2)c1	ZINC000799102890	640542339	/nfs/dbraw/zinc/54/23/39/640542339.db2.gz	VHFORAYTBMCJRM-UHFFFAOYSA-N	-1	0	295.262	0.425	20	30		CCEDRM
N#Cc1ccc(S(=O)(=O)NC/C=C\C(=O)[O-])o1	ZINC000806639224	640794929	/nfs/dbraw/zinc/79/49/29/640794929.db2.gz	PIIISFVDXBXHCR-UPHRSURJSA-N	-1	0	256.239	0.070	20	30		CCEDRM
Cn1cnc(C([O-])=C(C#N)C(=O)NC2CCCCC2)n1	ZINC000810530273	640937357	/nfs/dbraw/zinc/93/73/57/640937357.db2.gz	ZPFQKGMGGSQOON-JTQLQIEISA-N	-1	0	275.312	0.586	20	30		CCEDRM
COc1nc2sccn2c1C=Nn1c(=O)[n-][nH]c1=O	ZINC000814231394	641061406	/nfs/dbraw/zinc/06/14/06/641061406.db2.gz	FKSUIOVQOKSIIF-UHFFFAOYSA-N	-1	0	280.269	0.289	20	30		CCEDRM
O=C([O-])CNN=Cc1nccn1CC(F)(F)F	ZINC000814958460	641085017	/nfs/dbraw/zinc/08/50/17/641085017.db2.gz	VDBMITRGTSHGBH-UHFFFAOYSA-N	-1	0	250.180	0.454	20	30		CCEDRM
Cc1cc(C=NNCC(=O)[O-])ccc1-n1cncn1	ZINC000814961233	641085766	/nfs/dbraw/zinc/08/57/66/641085766.db2.gz	ZDMOHPUPODJFAE-UHFFFAOYSA-N	-1	0	259.269	0.584	20	30		CCEDRM
N#CC1(CS(=O)(=O)N2CCC3(C[C@@H]3C(=O)[O-])CC2)CC1	ZINC000819097528	641381311	/nfs/dbraw/zinc/38/13/11/641381311.db2.gz	IAHIXQGGEOAKBT-SNVBAGLBSA-N	-1	0	298.364	0.807	20	30		CCEDRM
C[C@@H](NN=Cc1cn(CC(=O)[O-])nn1)c1ccncc1	ZINC000819816949	641434881	/nfs/dbraw/zinc/43/48/81/641434881.db2.gz	SQBIFMWNWNFDOW-SECBINFHSA-N	-1	0	274.284	0.442	20	30		CCEDRM
O=C(N[C@H]1CCN(O)C1=O)[C@@H]1CCc2ccccc2O1	ZINC000820131544	641464605	/nfs/dbraw/zinc/46/46/05/641464605.db2.gz	JKLGLUMCYRCFDQ-JQWIXIFHSA-N	-1	0	276.292	0.487	20	30		CCEDRM
O=C(N[C@@H]1CCN(O)C1=O)C1SCCCS1	ZINC000820131771	641464803	/nfs/dbraw/zinc/46/48/03/641464803.db2.gz	LJFVTAOMRDEGSQ-ZCFIWIBFSA-N	-1	0	262.356	0.289	20	30		CCEDRM
C[C@](C#N)(CC(=O)[O-])C(=O)N1CCC[C@](C)(O)C1	ZINC000820215326	641484292	/nfs/dbraw/zinc/48/42/92/641484292.db2.gz	SCPFJZYCCXUESV-NEPJUHHUSA-N	-1	0	254.286	0.364	20	30		CCEDRM
C#CCN1CC[C@H](NC(=O)c2ccc3oc(=O)nc-3[n-]2)C1	ZINC001015989664	650671098	/nfs/dbraw/zinc/67/10/98/650671098.db2.gz	VNIYMUTYUVAXEH-VIFPVBQESA-N	-1	0	286.291	0.366	20	30		CCEDRM
N#CCCS(=O)(=O)[N-]C(=O)c1ccoc1Cl	ZINC000821582557	641611735	/nfs/dbraw/zinc/61/17/35/641611735.db2.gz	QGNIRUVVDRFCCY-UHFFFAOYSA-N	-1	0	262.674	0.906	20	30		CCEDRM
N#Cc1c(-c2nnn[n-]2)ncn1Cc1ccccc1	ZINC000826383281	641930287	/nfs/dbraw/zinc/93/02/87/641930287.db2.gz	SHAYSALSHMRRQA-UHFFFAOYSA-N	-1	0	251.253	0.983	20	30		CCEDRM
C[C@@H]1CCC[C@H](C)N1C(=O)CN(CC#N)CC(=O)[O-]	ZINC000828239602	642075704	/nfs/dbraw/zinc/07/57/04/642075704.db2.gz	PBSZCDMGOXCIDH-PHIMTYICSA-N	-1	0	267.329	0.686	20	30		CCEDRM
C#C[C@H](NC(=O)c1ccc2oc(=O)nc-2[n-]1)[C@H]1CCCO1	ZINC000832416813	642478720	/nfs/dbraw/zinc/47/87/20/642478720.db2.gz	AJYTXUDNZUEBRS-WCBMZHEXSA-N	-1	0	287.275	0.839	20	30		CCEDRM
Cc1[nH]c(C#N)cc1C(=O)[N-]S(=O)(=O)CC(C)C	ZINC000835115590	642648662	/nfs/dbraw/zinc/64/86/62/642648662.db2.gz	MFJCKALHPWVYQN-UHFFFAOYSA-N	-1	0	269.326	0.910	20	30		CCEDRM
N#CCCS(=O)(=O)[N-]C(=O)Cc1ccc(F)cc1	ZINC000835414195	642661800	/nfs/dbraw/zinc/66/18/00/642661800.db2.gz	XYRQRYMXIHMZQX-UHFFFAOYSA-N	-1	0	270.285	0.728	20	30		CCEDRM
C[C@@H](CN(C)c1cccc(S(N)(=O)=O)c1C#N)C(=O)[O-]	ZINC000841511232	642822546	/nfs/dbraw/zinc/82/25/46/642822546.db2.gz	RMGWXIXGNQDKKG-QMMMGPOBSA-N	-1	0	297.336	0.363	20	30		CCEDRM
CCN(C[C@H](C)C#N)S(=O)(=O)N(CC(=O)[O-])C1CC1	ZINC000844796126	643248632	/nfs/dbraw/zinc/24/86/32/643248632.db2.gz	WZZULMICUFXNMY-SECBINFHSA-N	-1	0	289.357	0.262	20	30		CCEDRM
C[C@H](CNC(=O)NCc1ccc(C#N)cn1)C(=O)[O-]	ZINC000848582495	643655031	/nfs/dbraw/zinc/65/50/31/643655031.db2.gz	MSYXFLMZUQNZFQ-MRVPVSSYSA-N	-1	0	262.269	0.473	20	30		CCEDRM
Cc1ccn([C@H](C)CC(=O)[N-]S(=O)(=O)CCCC#N)n1	ZINC000850926352	643822443	/nfs/dbraw/zinc/82/24/43/643822443.db2.gz	LTFDERRJFAMHDU-LLVKDONJSA-N	-1	0	298.368	0.892	20	30		CCEDRM
C[C@@H](CC#N)C(=O)[N-]S(=O)(=O)c1ccc2c(c1)OCO2	ZINC000850925762	643822574	/nfs/dbraw/zinc/82/25/74/643822574.db2.gz	IAYYJRGHQDJSDN-QMMMGPOBSA-N	-1	0	296.304	0.770	20	30		CCEDRM
N#CC1(CC(=O)[N-]S(=O)(=O)CC(F)F)CC1	ZINC000851363709	643843812	/nfs/dbraw/zinc/84/38/12/643843812.db2.gz	STVQWQYIMZUOLA-UHFFFAOYSA-N	-1	0	252.242	0.391	20	30		CCEDRM
N#CC1CCN(C(=O)C(=O)NCC2(C(=O)[O-])CCC2)CC1	ZINC000851687140	643872305	/nfs/dbraw/zinc/87/23/05/643872305.db2.gz	NMUKHLJZZRCBDV-UHFFFAOYSA-N	-1	0	293.323	0.120	20	30		CCEDRM
C[C@@H](CC#N)N(C)S(=O)(=O)N[C@@H]1CC=C(C(=O)[O-])C1	ZINC000853070022	644072305	/nfs/dbraw/zinc/07/23/05/644072305.db2.gz	UNGCZKGKDIMGLM-WCBMZHEXSA-N	-1	0	287.341	0.228	20	30		CCEDRM
C[C@H]1CCCCN1N=Cc1cn(CC(=O)[O-])nn1	ZINC000853378900	644102470	/nfs/dbraw/zinc/10/24/70/644102470.db2.gz	DWOLJFMEMTZOGK-VIFPVBQESA-N	-1	0	251.290	0.571	20	30		CCEDRM
C[C@H]1C(=O)N(N=Cc2cc([O-])ccc2[N+](=O)[O-])C(=O)N1C	ZINC000857215272	644482850	/nfs/dbraw/zinc/48/28/50/644482850.db2.gz	RXQHVIYGIGXTGG-ZETCQYMHSA-N	-1	0	292.251	0.917	20	30		CCEDRM
C[C@@H](CC#N)NS(=O)(=O)c1ccc(F)nc1F	ZINC000866673942	645569091	/nfs/dbraw/zinc/56/90/91/645569091.db2.gz	MSEDSSJZBSKETN-LURJTMIESA-N	-1	0	261.253	0.940	20	30		CCEDRM
N#Cc1ccc2c(c1)C[C@H](NC(=O)CSCC(=O)[O-])C2	ZINC000868465769	645772974	/nfs/dbraw/zinc/77/29/74/645772974.db2.gz	FKVNEWWOAKZSLL-GFCCVEGCSA-N	-1	0	290.344	0.959	20	30		CCEDRM
O=C(N[C@H]1CCCN(O)C1=O)c1ccnn1CC1CCC1	ZINC000868562505	645786839	/nfs/dbraw/zinc/78/68/39/645786839.db2.gz	GJBFQSPVEHBHRZ-NSHDSACASA-N	-1	0	292.339	0.793	20	30		CCEDRM
N#Cc1cccc(ONC(=O)C[C@H]2CCC(=O)NC2)c1	ZINC000870690810	646017520	/nfs/dbraw/zinc/01/75/20/646017520.db2.gz	UUDNOVPOKZPEMG-LLVKDONJSA-N	-1	0	273.292	0.885	20	30		CCEDRM
N#CCCCCS(=O)(=O)N1CC[C@H]2[C@@H](C(=O)[O-])[C@H]2C1	ZINC000871777318	646181317	/nfs/dbraw/zinc/18/13/17/646181317.db2.gz	POKGOTWJYHTFBZ-OUAUKWLOSA-N	-1	0	286.353	0.663	20	30		CCEDRM
O=C([O-])Cn1cc(C=NNC[C@H]2CCCC2(F)F)nn1	ZINC000872405885	646257061	/nfs/dbraw/zinc/25/70/61/646257061.db2.gz	NVSXANCBJYCSAU-MRVPVSSYSA-N	-1	0	287.270	0.722	20	30		CCEDRM
Cn1cc(S(=O)(=O)[N-]C(=O)c2ccco2)cc1C(N)=O	ZINC000042345678	649287804	/nfs/dbraw/zinc/28/78/04/649287804.db2.gz	VBYSFPHWMHBXDK-UHFFFAOYSA-N	-1	0	297.292	0.411	20	30		CCEDRM
O=C([N-]S(=O)(=O)c1cccc(-n2cnnn2)c1)C1CC1	ZINC000046930496	649305102	/nfs/dbraw/zinc/30/51/02/649305102.db2.gz	FVYRXUFCWWEVPI-UHFFFAOYSA-N	-1	0	293.308	0.718	20	30		CCEDRM
C=CCN(CC(=O)[O-])C(=O)CCC(=O)NC1CCCC1	ZINC000191253113	649470240	/nfs/dbraw/zinc/47/02/40/649470240.db2.gz	DPFBBYMZZDVKHY-UHFFFAOYSA-N	-1	0	282.340	0.925	20	30		CCEDRM
C=CCN(CC(=O)[O-])C(=O)CCC(=O)NCCC	ZINC000191275106	649470479	/nfs/dbraw/zinc/47/04/79/649470479.db2.gz	QVNNMAVLZMMMJA-UHFFFAOYSA-N	-1	0	256.302	0.392	20	30		CCEDRM
COCCNC(=O)C(C#N)=C([O-])c1ccc(OC)cc1	ZINC000193411149	649536849	/nfs/dbraw/zinc/53/68/49/649536849.db2.gz	NJHWHGAGXFHSLE-LBPRGKRZSA-N	-1	0	276.292	0.780	20	30		CCEDRM
COCCNC(=O)C(C#N)=C([O-])c1ccoc1C	ZINC000193416444	649537749	/nfs/dbraw/zinc/53/77/49/649537749.db2.gz	RLDUKNBONMFWFZ-JTQLQIEISA-N	-1	0	250.254	0.673	20	30		CCEDRM
COCCNC(=O)C(C#N)=C([O-])c1ccoc1C	ZINC000193416434	649537800	/nfs/dbraw/zinc/53/78/00/649537800.db2.gz	RLDUKNBONMFWFZ-SNVBAGLBSA-N	-1	0	250.254	0.673	20	30		CCEDRM
CNC(=O)C(C#N)=C([O-])c1ccc2c(c1)OCCCO2	ZINC000193636801	649551286	/nfs/dbraw/zinc/55/12/86/649551286.db2.gz	FDAUENIMYDKLJY-SNVBAGLBSA-N	-1	0	274.276	0.916	20	30		CCEDRM
C=CCN(CC(=O)[O-])C(=O)c1cnn(-c2ccccc2)n1	ZINC000092461934	649723808	/nfs/dbraw/zinc/72/38/08/649723808.db2.gz	FHXVSGRGAFANKX-UHFFFAOYSA-N	-1	0	286.291	0.980	20	30		CCEDRM
C#C[C@@H](Oc1nc[n-]c(=O)c1Cl)C(=O)OCC	ZINC001230017327	805575156	/nfs/dbraw/zinc/57/51/56/805575156.db2.gz	KKQLLLQZIYVNTI-ZCFIWIBFSA-N	-1	0	256.645	0.779	20	30		CCEDRM
C[C@H](C#N)S(=O)(=O)[N-]c1nc2c(s1)CCC2	ZINC000088477111	790359453	/nfs/dbraw/zinc/35/94/53/790359453.db2.gz	BWNQQAYKFHTGMX-ZCFIWIBFSA-N	-1	0	257.340	0.707	20	30		CCEDRM
CC(C)(C)OC(=O)N1C[C@H](Oc2n[nH]c(=O)[n-]2)C[C@H]1C#N	ZINC001231307130	805773494	/nfs/dbraw/zinc/77/34/94/805773494.db2.gz	DDHNCPCRXYFRJA-JGVFFNPUSA-N	-1	0	295.299	0.791	20	30		CCEDRM
CCOC(=O)[C@@H](C#C[Si](C)(C)C)Oc1n[nH]c(=O)[n-]1	ZINC001231308741	805775481	/nfs/dbraw/zinc/77/54/81/805775481.db2.gz	VEBAXKGCAMDCIW-MRVPVSSYSA-N	-1	0	283.360	0.702	20	30		CCEDRM
N#Cc1ccc(CN2CCn3ncnc3C2)c(O)c1	ZINC001233383698	806053463	/nfs/dbraw/zinc/05/34/63/806053463.db2.gz	RZHKLPMSMYYNDB-UHFFFAOYSA-N	-1	0	255.281	0.871	20	30		CCEDRM
CNC(=O)c1cc(C#N)cc(C)c1NC(=O)C(=O)[O-]	ZINC001143420304	791446288	/nfs/dbraw/zinc/44/62/88/791446288.db2.gz	HLOZCEUBDOWNPY-UHFFFAOYSA-N	-1	0	261.237	0.249	20	30		CCEDRM
COC(=O)[C@H](CS)Nc1cnc(C(=O)[O-])c(C)c1	ZINC001167623467	791647693	/nfs/dbraw/zinc/64/76/93/791647693.db2.gz	PTGMGSAOYORBBX-QMMMGPOBSA-N	-1	0	270.310	0.972	20	30		CCEDRM
Cn1c(=O)[n-]c(N2CC3(C2)CCCC3)c(C#N)c1=O	ZINC001120835800	798945710	/nfs/dbraw/zinc/94/57/10/798945710.db2.gz	GASWHVORLDDPPB-UHFFFAOYSA-N	-1	0	260.297	0.326	20	30		CCEDRM
CCC[C@@H](O)CCCSc1[n-]c(=O)n(C)c(=O)c1C#N	ZINC001120868779	798952805	/nfs/dbraw/zinc/95/28/05/798952805.db2.gz	WZAZGQODECEAOI-SECBINFHSA-N	-1	0	297.380	0.979	20	30		CCEDRM
C#C[C@H](C)N(C)c1nnc(-c2cc(=O)[nH][n-]2)n1CC=C	ZINC001121662957	799063129	/nfs/dbraw/zinc/06/31/29/799063129.db2.gz	JDUXHZSKYOQRFO-VIFPVBQESA-N	-1	0	272.312	0.146	20	30		CCEDRM
C=CCC[C@@H](CO)NC(=O)NC[C@@H](CC)C(=O)[O-]	ZINC001121836497	799075635	/nfs/dbraw/zinc/07/56/35/799075635.db2.gz	QHOUZHNKBRSMJG-ZJUUUORDSA-N	-1	0	258.318	0.724	20	30		CCEDRM
C=C(C)C[C@@H](CO)NC(=O)N[C@H]1C[C@H](C(=O)[O-])C1	ZINC001121917260	799093400	/nfs/dbraw/zinc/09/34/00/799093400.db2.gz	IPIWBQMJGAGWNA-GUBZILKMSA-N	-1	0	256.302	0.476	20	30		CCEDRM
Cn1ccnc1C(=O)C(C#N)=C([O-])c1ccc2nncn2c1	ZINC001122715051	799288540	/nfs/dbraw/zinc/28/85/40/799288540.db2.gz	VICKPWCVHJQUJD-SNVBAGLBSA-N	-1	0	294.274	0.668	20	30		CCEDRM
C=CCCC[C@@H](C)NC(=O)Cn1c(=O)[n-][nH]c1=O	ZINC001137810536	799689085	/nfs/dbraw/zinc/68/90/85/799689085.db2.gz	PWXFBDIDUSWARW-MRVPVSSYSA-N	-1	0	254.290	0.550	20	30		CCEDRM
CN1C(=O)CN(CC(=O)Nc2cc(C#N)ccc2[O-])C1=O	ZINC001137934201	799695373	/nfs/dbraw/zinc/69/53/73/799695373.db2.gz	MVBWSVCUVJRGNN-UHFFFAOYSA-N	-1	0	288.263	0.096	20	30		CCEDRM
C=CCO[N-]C(=O)CNC(=O)NCc1ccc(F)cc1	ZINC001140879530	799956572	/nfs/dbraw/zinc/95/65/72/799956572.db2.gz	IEDJOBCOZGAEIS-UHFFFAOYSA-N	-1	0	281.287	0.859	20	30		CCEDRM
O=C(N[C@H]1CCN(O)C1=O)c1ccc(-c2c[nH]cn2)cc1	ZINC001141380312	800003466	/nfs/dbraw/zinc/00/34/66/800003466.db2.gz	LPNQKBCDHDQPMZ-NSHDSACASA-N	-1	0	286.291	0.797	20	30		CCEDRM
N#Cc1cc(NC(=O)Cn2cncn2)c([O-])cc1F	ZINC001142129827	800076136	/nfs/dbraw/zinc/07/61/36/800076136.db2.gz	ATTYXDGMYHMCKH-UHFFFAOYSA-N	-1	0	261.216	0.633	20	30		CCEDRM
N#Cc1cc(NC(=O)[C@@H]2CNC(=O)C2)c([O-])cc1F	ZINC001143296774	800225550	/nfs/dbraw/zinc/22/55/50/800225550.db2.gz	FLKJUQVQPPITGJ-ZETCQYMHSA-N	-1	0	263.228	0.478	20	30		CCEDRM
N#CCc1ccnc(NC(=O)c2c[n-]ncc2=O)c1	ZINC001149721776	800294664	/nfs/dbraw/zinc/29/46/64/800294664.db2.gz	ZKHKGULEISOJBG-UHFFFAOYSA-N	-1	0	255.237	0.896	20	30		CCEDRM
Cn1cnc(NC(=O)c2cc(=O)c3cc(C#N)ccc3[n-]2)n1	ZINC001154552603	800798635	/nfs/dbraw/zinc/79/86/35/800798635.db2.gz	YIFYNHGSMCSLFV-UHFFFAOYSA-N	-1	0	294.274	0.781	20	30		CCEDRM
C=C[C@@](C)(O)CC(=O)NCCc1n[n-]c(=S)o1	ZINC001154900945	800864949	/nfs/dbraw/zinc/86/49/49/800864949.db2.gz	MHICMLFNWPRYSP-SNVBAGLBSA-N	-1	0	257.315	0.344	20	30		CCEDRM
COc1cc(C#N)nc(N[C@H]2SC(=O)[N-]C2=O)c1	ZINC001155843472	801064828	/nfs/dbraw/zinc/06/48/28/801064828.db2.gz	OWKPJOVZOGRJLN-VIFPVBQESA-N	-1	0	264.266	0.683	20	30		CCEDRM
C#C[C@@H](C)N(C)C(=O)c1cccc(-n2[n-]nnc2=N)c1	ZINC001156189476	801125745	/nfs/dbraw/zinc/12/57/45/801125745.db2.gz	ABIZJMVOZNINQO-SECBINFHSA-N	-1	0	270.296	0.169	20	30		CCEDRM
Cc1[nH]nc(C(=O)N2CCCC[C@@H]2CN(C)CC#N)c1[O-]	ZINC001157806650	801489729	/nfs/dbraw/zinc/48/97/29/801489729.db2.gz	CKWQJCGCXMOHBM-LLVKDONJSA-N	-1	0	291.355	0.874	20	30		CCEDRM
C=CCO[N-]C(=O)[C@H](CCSC)NC(=O)CC	ZINC001158208242	801595663	/nfs/dbraw/zinc/59/56/63/801595663.db2.gz	CGWCYFLPHRSRAR-VIFPVBQESA-N	-1	0	260.359	0.868	20	30		CCEDRM
COC(=O)n1ncc(C#N)c1[N-]c1ncc2ncn(C)c2n1	ZINC001158965577	801728941	/nfs/dbraw/zinc/72/89/41/801728941.db2.gz	VDENGYUAOMXXKP-UHFFFAOYSA-N	-1	0	298.266	0.790	20	30		CCEDRM
Cc1cc(C#N)c(=O)[n-]c1C(=O)N[C@H]1CCCN(O)C1=O	ZINC001159642674	801842502	/nfs/dbraw/zinc/84/25/02/801842502.db2.gz	ZJPPLQRMYLFQNK-VIFPVBQESA-N	-1	0	290.279	0.077	20	30		CCEDRM
COCCS(=O)(=O)[N-]c1ccc(C(=O)OC)cc1C#N	ZINC001259972952	808833401	/nfs/dbraw/zinc/83/34/01/808833401.db2.gz	JNVVXNQOJRPOTB-UHFFFAOYSA-N	-1	0	298.320	0.733	20	30		CCEDRM
COc1ncnc([N-]S(=O)(=O)C2CCOCC2)c1C#N	ZINC001259909037	808797224	/nfs/dbraw/zinc/79/72/24/808797224.db2.gz	RZRQJLRBNWCJRU-UHFFFAOYSA-N	-1	0	298.324	0.278	20	30		CCEDRM
C#C[C@H](C)Nc1ccc(S(=O)(=O)[N-]C(C)=O)cn1	ZINC001163161636	802498473	/nfs/dbraw/zinc/49/84/73/802498473.db2.gz	RFGKGZGRDWELNE-QMMMGPOBSA-N	-1	0	267.310	0.340	20	30		CCEDRM
COCCS(=O)(=O)[N-]c1cc(F)cnc1C#N	ZINC001259966482	808829377	/nfs/dbraw/zinc/82/93/77/808829377.db2.gz	FPBFKUFABSGOJH-UHFFFAOYSA-N	-1	0	259.262	0.480	20	30		CCEDRM
C#Cc1cncc(C(=O)N(C)Cc2nc(=O)o[n-]2)c1	ZINC001163339916	802537398	/nfs/dbraw/zinc/53/73/98/802537398.db2.gz	PGBKVFKLTCKRSY-UHFFFAOYSA-N	-1	0	258.237	0.011	20	30		CCEDRM
COc1cc(C#N)cnc1N[C@@H]1SC(=O)[N-]C1=O	ZINC001163662094	802585237	/nfs/dbraw/zinc/58/52/37/802585237.db2.gz	KBDZHLQWCNXNNH-SECBINFHSA-N	-1	0	264.266	0.683	20	30		CCEDRM
N#Cc1cc(NCC[N-]C(=O)C(F)(F)F)ncn1	ZINC001164238350	802693875	/nfs/dbraw/zinc/69/38/75/802693875.db2.gz	ULTJXAZLVGWXKX-UHFFFAOYSA-N	-1	0	259.191	0.439	20	30		CCEDRM
C#CCO[N-]C(=O)Cc1csc(NCCOC)n1	ZINC001166327907	802900168	/nfs/dbraw/zinc/90/01/68/802900168.db2.gz	MHLQPADHUKJEMQ-UHFFFAOYSA-N	-1	0	269.326	0.425	20	30		CCEDRM
C#CCCCC(=O)N[C@@H]1CN(Cc2n[nH]c(=O)[n-]2)C[C@H]1C	ZINC001206912388	803307508	/nfs/dbraw/zinc/30/75/08/803307508.db2.gz	JGXGOVLLOVVDNE-GHMZBOCLSA-N	-1	0	291.355	0.250	20	30		CCEDRM
N#Cc1ccc(-c2noc(-c3c[nH]c(=O)c(=O)[n-]3)n2)nc1	ZINC001213927791	803706244	/nfs/dbraw/zinc/70/62/44/803706244.db2.gz	BNTWHQDEFINTIA-UHFFFAOYSA-N	-1	0	282.219	0.047	20	30		CCEDRM
N#Cc1cnccc1[N-]S(=O)(=O)c1ccc(N)cc1	ZINC001214015159	803711054	/nfs/dbraw/zinc/71/10/54/803711054.db2.gz	DVDMIPYISMYUQE-UHFFFAOYSA-N	-1	0	274.305	0.758	20	30		CCEDRM
N#Cc1nc(N)c(Nc2cc(C(=O)[O-])cnc2F)nc1C#N	ZINC001215122403	803777959	/nfs/dbraw/zinc/77/79/59/803777959.db2.gz	KBVWVJOBGGDBBR-UHFFFAOYSA-N	-1	0	299.225	0.778	20	30		CCEDRM
COc1cccc(O)c1C(=O)N1CCO[C@@H](C#N)C1	ZINC000405343332	803877210	/nfs/dbraw/zinc/87/72/10/803877210.db2.gz	JLZIHBYQWMSNOQ-VIFPVBQESA-N	-1	0	262.265	0.765	20	30		CCEDRM
C=CCOCCCNS(=O)(=O)[C@@H]1CCC[C@@H]1C(=O)[O-]	ZINC001465106131	804076186	/nfs/dbraw/zinc/07/61/86/804076186.db2.gz	BGUHMKOJTQSGOW-WDEREUQCSA-N	-1	0	291.369	0.752	20	30		CCEDRM
C=CCC[C@H](NC(=O)NCCCn1ccnc1)C(=O)[O-]	ZINC000316634319	804714354	/nfs/dbraw/zinc/71/43/54/804714354.db2.gz	NXZVGWIILWXCRE-NSHDSACASA-N	-1	0	280.328	0.992	20	30		CCEDRM
C=CCOC[C@H](CS(=O)(=O)[O-])OCc1ccon1	ZINC001222731215	804929593	/nfs/dbraw/zinc/92/95/93/804929593.db2.gz	SZLULLVYGCSVEQ-SNVBAGLBSA-N	-1	0	277.298	0.650	20	30		CCEDRM
C=CCOC[C@@H](CS(=O)(=O)[O-])OCCCCOC	ZINC001224317106	805025580	/nfs/dbraw/zinc/02/55/80/805025580.db2.gz	IVQXDPXTOBBLIC-NSHDSACASA-N	-1	0	282.358	0.889	20	30		CCEDRM
CC(C)(C)OC(=O)N1C[C@H](OCC(=O)[O-])[C@H](C#N)C1	ZINC001225022573	805101309	/nfs/dbraw/zinc/10/13/09/805101309.db2.gz	QRMDWQPBWREPJS-BDAKNGLRSA-N	-1	0	270.285	0.847	20	30		CCEDRM
C[C@@H](Oc1c([O-])c(=O)c(=O)c1=O)c1ccccc1C#N	ZINC001225830348	805167172	/nfs/dbraw/zinc/16/71/72/805167172.db2.gz	HZINYIYPHPMDAG-SSDOTTSWSA-N	-1	0	271.228	0.360	20	30		CCEDRM
C=CCOC[C@@H](CS(=O)(=O)[O-])Oc1nnc(C)o1	ZINC001226459197	805233251	/nfs/dbraw/zinc/23/32/51/805233251.db2.gz	NYHJDPGZCRQVGY-QMMMGPOBSA-N	-1	0	278.286	0.216	20	30		CCEDRM
N#Cc1ccccc1CN1CC[C@H](Oc2c([O-])c(=O)c2=O)C1	ZINC001226607801	805254704	/nfs/dbraw/zinc/25/47/04/805254704.db2.gz	SPSSDAXJXORZKO-LBPRGKRZSA-N	-1	0	298.298	0.513	20	30		CCEDRM
N#CCCN1CC(Oc2nc[n-]c(=O)c2Br)C1	ZINC001226721980	805271993	/nfs/dbraw/zinc/27/19/93/805271993.db2.gz	MFKYFNFEZHYCOY-UHFFFAOYSA-N	-1	0	299.128	0.921	20	30		CCEDRM
COc1cc(C#N)ccc1COC(=O)[C@H](O)CC(=O)[O-]	ZINC001224188351	815115230	/nfs/dbraw/zinc/11/52/30/815115230.db2.gz	CIWBXOPKWXTHQP-SNVBAGLBSA-N	-1	0	279.248	0.446	20	30		CCEDRM
C=C[C@@H]1C[C@]1([N-]S(=O)(=O)C(F)(F)F)C(=O)OCC	ZINC001252385916	807818098	/nfs/dbraw/zinc/81/80/98/807818098.db2.gz	HHJNJRGNMKXMQR-HTRCEHHLSA-N	-1	0	287.259	0.933	20	30		CCEDRM
C=C[C@@](C)(O)CNc1ccc(C(=O)NCC(=O)[O-])cc1	ZINC001252567741	807912039	/nfs/dbraw/zinc/91/20/39/807912039.db2.gz	ATTALXQVHOJYQB-CQSZACIVSA-N	-1	0	278.308	0.850	20	30		CCEDRM
Cn1cnc([N-]S(=O)(=O)CC(F)(F)F)c1C#N	ZINC001253123431	808006975	/nfs/dbraw/zinc/00/69/75/808006975.db2.gz	DXFSSQKOECKHRX-UHFFFAOYSA-N	-1	0	268.220	0.596	20	30		CCEDRM
CCOC(=O)[C@H](CS)[N-]S(=O)(=O)CC(F)(F)F	ZINC001253210393	808033331	/nfs/dbraw/zinc/03/33/31/808033331.db2.gz	LLHCJLCGMSBKFH-YFKPBYRVSA-N	-1	0	295.304	0.330	20	30		CCEDRM
C=C[C@@H](O)CNc1nc[n-]c(=O)c1Br	ZINC001253573918	808081427	/nfs/dbraw/zinc/08/14/27/808081427.db2.gz	KQLREHXMVMZLLL-RXMQYKEDSA-N	-1	0	260.091	0.904	20	30		CCEDRM
N#CCCCCc1cn(CCOCC(=O)[O-])nn1	ZINC001254089841	808179306	/nfs/dbraw/zinc/17/93/06/808179306.db2.gz	SWDZSYBXAHTZOT-UHFFFAOYSA-N	-1	0	252.274	0.616	20	30		CCEDRM
C[C@H](C(=O)[N-]OCc1cccnc1)n1cnc(C#N)n1	ZINC001256523755	808532214	/nfs/dbraw/zinc/53/22/14/808532214.db2.gz	RHCKMICZMIXVFO-SECBINFHSA-N	-1	0	272.268	0.354	20	30		CCEDRM
N#Cc1cccc(S(=O)(=O)NCC(=O)CCC(=O)[O-])c1	ZINC001259128150	808735188	/nfs/dbraw/zinc/73/51/88/808735188.db2.gz	HGDKQGKRHHRZQQ-UHFFFAOYSA-N	-1	0	296.304	0.270	20	30		CCEDRM
Cn1ncc([N-]S(=O)(=O)c2ccccn2)c1C#N	ZINC001259282789	808748813	/nfs/dbraw/zinc/74/88/13/808748813.db2.gz	HRORCABXGZJAGM-UHFFFAOYSA-N	-1	0	263.282	0.488	20	30		CCEDRM
Cc1nc(C#N)ccc1[N-]S(=O)(=O)c1cnn(C)c1	ZINC001259820665	808775991	/nfs/dbraw/zinc/77/59/91/808775991.db2.gz	JOBMRKMZXYUJNS-UHFFFAOYSA-N	-1	0	277.309	0.796	20	30		CCEDRM
C=CCS(=O)(=O)[N-]c1ncccc1C(=O)NC	ZINC001259923418	808805787	/nfs/dbraw/zinc/80/57/87/808805787.db2.gz	IWNCLDVXOKLWJJ-UHFFFAOYSA-N	-1	0	255.299	0.369	20	30		CCEDRM
CCOC(=O)c1cc(C#N)c([N-]S(N)(=O)=O)c(C)c1O	ZINC001260080299	808846297	/nfs/dbraw/zinc/84/62/97/808846297.db2.gz	HSXYAGUFRYIIRY-UHFFFAOYSA-N	-1	0	299.308	0.364	20	30		CCEDRM
Cc1nc(C#N)ccc1[N-]S(=O)(=O)CS(C)(=O)=O	ZINC001260584453	808868712	/nfs/dbraw/zinc/86/87/12/808868712.db2.gz	HCMRCVSJLGPUOP-UHFFFAOYSA-N	-1	0	289.338	0.006	20	30		CCEDRM
CC#CCS(=O)(=O)[N-]C(=O)CCc1cn(C)nc1C	ZINC001261204789	808925023	/nfs/dbraw/zinc/92/50/23/808925023.db2.gz	FEUSLZBAUHRACU-UHFFFAOYSA-N	-1	0	283.353	0.130	20	30		CCEDRM
C[C@@H]1C[C@@H](C(=O)[O-])CCC1=NN1CC(=O)N(C)C1=O	ZINC001261236781	808935509	/nfs/dbraw/zinc/93/55/09/808935509.db2.gz	WJWXGWYSOXCGKX-SFYZADRCSA-N	-1	0	267.285	0.757	20	30		CCEDRM
Cc1n[nH]c(C(=O)NCC[C@H](C)NC(=O)[C@H](C)C#N)c1[O-]	ZINC001076165633	815253827	/nfs/dbraw/zinc/25/38/27/815253827.db2.gz	JEEJWYUMPDGEAN-SFYZADRCSA-N	-1	0	293.327	0.208	20	30		CCEDRM
Cn1nccc1S(=O)(=O)[N-]C(=O)CCCCC#N	ZINC001261549290	809016071	/nfs/dbraw/zinc/01/60/71/809016071.db2.gz	PYKDMGIZEZEKAQ-UHFFFAOYSA-N	-1	0	270.314	0.309	20	30		CCEDRM
C=CCCCCCNC(=O)C(=O)N[C@H]1C[C@H](C(=O)[O-])C1	ZINC001262054919	809175186	/nfs/dbraw/zinc/17/51/86/809175186.db2.gz	WJIOPIZNOQGYAL-XYPYZODXSA-N	-1	0	282.340	0.828	20	30		CCEDRM
C#CCSCC(=O)[N-]S(=O)(=O)[C@H]1C[C@@H]2CC[C@H]1C2	ZINC001262102662	809191874	/nfs/dbraw/zinc/19/18/74/809191874.db2.gz	SQDPBROIXLJTIX-VWYCJHECSA-N	-1	0	287.406	0.987	20	30		CCEDRM
C=CC[C@H](NC(=O)[C@H]1CCc2c[nH]nc2C1)C(=O)[O-]	ZINC001262177395	809223091	/nfs/dbraw/zinc/22/30/91/809223091.db2.gz	STQQCDXVLJQSLE-WPRPVWTQSA-N	-1	0	263.297	0.660	20	30		CCEDRM
Cn1c(=O)[n-]c(NC[C@@H]2CC=CCC2)c(C#N)c1=O	ZINC001262680870	809392114	/nfs/dbraw/zinc/39/21/14/809392114.db2.gz	SXIYBNYGNZRNCH-SECBINFHSA-N	-1	0	260.297	0.713	20	30		CCEDRM
N#CC(C(=O)NC1CC1)=C([O-])c1cnn2ccncc12	ZINC001263293031	809504432	/nfs/dbraw/zinc/50/44/32/809504432.db2.gz	AEUHMUTTWSVPCH-VIFPVBQESA-N	-1	0	269.264	0.330	20	30		CCEDRM
C#CCO[C@H](C)C(=O)N1CC[C@@H]([C@H](F)C(=O)[O-])C1	ZINC001263632375	809544616	/nfs/dbraw/zinc/54/46/16/809544616.db2.gz	NHIFJSHQACHMHD-BBBLOLIVSA-N	-1	0	257.261	0.296	20	30		CCEDRM
C[C@@H](CNCC#N)NC(=O)C(C)(C)[N-]C(=O)C(F)(F)F	ZINC001268717026	813031949	/nfs/dbraw/zinc/03/19/49/813031949.db2.gz	OUCOLVWMZCXAML-ZETCQYMHSA-N	-1	0	294.277	0.061	20	30		CCEDRM
COc1cccc(C#N)c1OC(=O)[C@H](O)CC(=O)[O-]	ZINC001226248099	813939896	/nfs/dbraw/zinc/93/98/96/813939896.db2.gz	WHMGGOSFPAVVKS-MRVPVSSYSA-N	-1	0	265.221	0.308	20	30		CCEDRM
N#CC(C(=O)NC1CC1)=C([O-])c1cnn(-c2ccccc2)n1	ZINC000129419305	815616022	/nfs/dbraw/zinc/61/60/22/815616022.db2.gz	PYOYVXHURACFDS-LBPRGKRZSA-N	-1	0	295.302	0.868	20	30		CCEDRM
C#CCOCCC(=O)[N-]S(=O)(=O)Cc1ccc(F)cc1	ZINC000165246874	815731334	/nfs/dbraw/zinc/73/13/34/815731334.db2.gz	WWDHWTKZBPFFKX-UHFFFAOYSA-N	-1	0	299.323	0.812	20	30		CCEDRM
C#CCC[N@H+]1CC[C@H](N(C)C(=O)c2ncccc2O)C1	ZINC001033036577	818451307	/nfs/dbraw/zinc/45/13/07/818451307.db2.gz	RIHRRPGVZPEERY-LBPRGKRZSA-N	-1	0	273.336	0.957	20	30		CCEDRM
CNC(=O)C(C#N)=C([O-])c1cnn(Cc2ccccc2)c1	ZINC000133320979	818677886	/nfs/dbraw/zinc/67/78/86/818677886.db2.gz	YSFRHKKCCASHQS-CYBMUJFWSA-N	-1	0	282.303	1.000	20	30		CCEDRM
C=CC1CCN(C(=O)c2cn(CC(=O)[O-])nn2)CC1	ZINC000706473912	819638393	/nfs/dbraw/zinc/63/83/93/819638393.db2.gz	UHXJOUDBWIPSSW-UHFFFAOYSA-N	-1	0	264.285	0.401	20	30		CCEDRM
Cc1[nH]nc(C(=O)N2CC[C@@H](NCC#N)[C@@H](C)C2)c1[O-]	ZINC001035996681	819668432	/nfs/dbraw/zinc/66/84/32/819668432.db2.gz	ZWZRGYOKOCWYEG-WCBMZHEXSA-N	-1	0	277.328	0.388	20	30		CCEDRM
C=CC[C@H](NC(=O)N[C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@H]12)C(=O)[O-]	ZINC001120002762	821472598	/nfs/dbraw/zinc/47/25/98/821472598.db2.gz	AWMBZYQZFPXUIK-HDKHJMDYSA-N	-1	0	266.297	0.491	20	30		CCEDRM
N#CC1(CS(=O)(=O)[N-]C(=O)CCn2cccn2)CC1	ZINC000793201585	837400299	/nfs/dbraw/zinc/40/02/99/837400299.db2.gz	NNNLXMKPQOYBAN-UHFFFAOYSA-N	-1	0	282.325	0.023	20	30		CCEDRM
COc1ccc(C(=NO)Nc2cncc(C(=O)[O-])n2)nc1	ZINC001169600207	836372679	/nfs/dbraw/zinc/37/26/79/836372679.db2.gz	PYZHOADUUZZOSA-UHFFFAOYSA-N	-1	0	289.251	0.826	20	30		CCEDRM
C[C@@H](CNc1ncccc1C#N)NC(=O)c1cnc[nH]c1=O	ZINC001108587255	836481511	/nfs/dbraw/zinc/48/15/11/836481511.db2.gz	UAQNADXVGKGFJF-VIFPVBQESA-N	-1	0	298.306	0.679	20	30		CCEDRM
O=C(CCC(=O)C1=CC=C[CH]1)NCCCc1c[nH][nH]c1=O	ZINC001184243563	844187257	/nfs/dbraw/zinc/18/72/57/844187257.db2.gz	GWDLTHHOKLJYGY-LBPRGKRZSA-N	-1	0	288.327	0.664	20	30		CCEDRM
N#C[C@H]1COCCN1C(=O)CCC(=O)C1=CC=C[CH]1	ZINC001184244264	844187766	/nfs/dbraw/zinc/18/77/66/844187766.db2.gz	SEYAEOGKGDDBQN-LBPRGKRZSA-N	-1	0	259.285	0.787	20	30		CCEDRM
CCCC#CC(=O)N[C@@H](CCC(=O)[O-])C(=O)OC	ZINC001184275852	844203491	/nfs/dbraw/zinc/20/34/91/844203491.db2.gz	IOUPNXYVCFTQRN-VIFPVBQESA-N	-1	0	255.270	0.313	20	30		CCEDRM
C[C@@H](Nc1ccc(C#N)nc1)[C@H](C)NC(=O)c1cn[nH]n1	ZINC001113356264	837096074	/nfs/dbraw/zinc/09/60/74/837096074.db2.gz	DJUXLTAJBLQLBY-BDAKNGLRSA-N	-1	0	285.311	0.690	20	30		CCEDRM
N#Cc1ccc([O-])c(NC(=O)CN2CCOC2=O)c1	ZINC001137934478	837867858	/nfs/dbraw/zinc/86/78/58/837867858.db2.gz	ZDTPKGCGHFOQBT-UHFFFAOYSA-N	-1	0	261.237	0.655	20	30		CCEDRM
Cc1n[nH]c(C(=O)N[C@@H](C)C[C@H](C)NCC#N)c1[O-]	ZINC001134094865	838866275	/nfs/dbraw/zinc/86/62/75/838866275.db2.gz	MFMBNYMOHFWRLL-YUMQZZPRSA-N	-1	0	265.317	0.434	20	30		CCEDRM
N#C[C@H](Nc1nc[n-]c2nc(=S)sc1-2)C(N)=O	ZINC001159474264	839254199	/nfs/dbraw/zinc/25/41/99/839254199.db2.gz	CXTKEMFLCYTYDL-VKHMYHEASA-N	-1	0	266.311	0.164	20	30		CCEDRM
Cc1ccnn1CC(=O)Nc1nc(C#N)c(C#N)[n-]1	ZINC001143815428	839882273	/nfs/dbraw/zinc/88/22/73/839882273.db2.gz	VTJPHMRIRIMQNI-UHFFFAOYSA-N	-1	0	255.241	0.297	20	30		CCEDRM
C/C(=C\C(=O)Nc1nc(C#N)c(C#N)[n-]1)c1cnccn1	ZINC001143815380	839882872	/nfs/dbraw/zinc/88/28/72/839882872.db2.gz	UUTFQGMPMZNRID-XBXARRHUSA-N	-1	0	279.263	0.985	20	30		CCEDRM
N#CC1(CS(=O)(=O)N2CCC(C#CC(=O)[O-])CC2)CC1	ZINC000844819107	839979596	/nfs/dbraw/zinc/97/95/96/839979596.db2.gz	TZKHOPCLPHEJSQ-UHFFFAOYSA-N	-1	0	296.348	0.420	20	30		CCEDRM
N#Cc1cccc(O[N-]C(=O)[C@@H]2CCCN(C(N)=O)C2)c1	ZINC001171247065	840191665	/nfs/dbraw/zinc/19/16/65/840191665.db2.gz	MRWGLBJOFIYXHK-LLVKDONJSA-N	-1	0	288.307	0.759	20	30		CCEDRM
NC(=O)c1ccc(C(N)=Nc2[n-]ccc3nnnc2-3)cc1	ZINC001171253180	840204440	/nfs/dbraw/zinc/20/44/40/840204440.db2.gz	LRLNQCWAIRDMBO-UHFFFAOYSA-N	-1	0	281.279	0.489	20	30		CCEDRM
CC/C=C(/F)C(=O)NCCn1cc(C#N)c(=O)[n-]c1=O	ZINC001148392609	840790740	/nfs/dbraw/zinc/79/07/40/840790740.db2.gz	BIHQDNJKBKBAJK-YCRREMRBSA-N	-1	0	280.259	0.200	20	30		CCEDRM
C=CCOc1ccc(C(=O)N[C@@H]2CO[N-]C2=O)cc1	ZINC001148463810	840808553	/nfs/dbraw/zinc/80/85/53/840808553.db2.gz	OBAGRGPTSPNPCL-LLVKDONJSA-N	-1	0	262.265	0.411	20	30		CCEDRM
CC(C)[C@]1(C)C[C@@H]1Nc1[n-]c(=O)n(C)c(=O)c1C#N	ZINC001186661707	844587999	/nfs/dbraw/zinc/58/79/99/844587999.db2.gz	IQLKCOXDIWPFCJ-ZANVPECISA-N	-1	0	262.313	0.792	20	30		CCEDRM
C=C(Br)CNC(=O)[C@@H](OC)C(=O)[O-]	ZINC000713190196	841121614	/nfs/dbraw/zinc/12/16/14/841121614.db2.gz	OLQOVVYNYSZGRL-RXMQYKEDSA-N	-1	0	252.064	0.111	20	30		CCEDRM
Nc1nonc1C(=Nc1ccc(F)c(C(=O)[O-])c1)NO	ZINC001175215142	842233918	/nfs/dbraw/zinc/23/39/18/842233918.db2.gz	JHVZDIKLVXMTSS-UHFFFAOYSA-N	-1	0	281.203	0.546	20	30		CCEDRM
CN1C[C@H](C(=O)Nc2cc(C#N)c(F)cc2[O-])CC1=O	ZINC001178523464	842866390	/nfs/dbraw/zinc/86/63/90/842866390.db2.gz	OKUNHQGVCZIPHR-MRVPVSSYSA-N	-1	0	277.255	0.820	20	30		CCEDRM
C[C@H](C#N)C(=O)Nc1nc(N(C)C)[n-]c(=O)c1N=O	ZINC001179889414	843065721	/nfs/dbraw/zinc/06/57/21/843065721.db2.gz	XVHWZYFZIRFBFP-RXMQYKEDSA-N	-1	0	264.245	0.744	20	30		CCEDRM
C=C[C@@H](CO)NC(=O)C(F)(F)C(F)(F)C(=O)[O-]	ZINC001180176566	843110735	/nfs/dbraw/zinc/11/07/35/843110735.db2.gz	GUEVVUMVQICTGJ-BYPYZUCNSA-N	-1	0	259.155	0.005	20	30		CCEDRM
Cn1cc(NC(=O)c2ccccc2-c2nn[nH]n2)c(C#N)n1	ZINC001186990805	844635747	/nfs/dbraw/zinc/63/57/47/844635747.db2.gz	DZOFRCDNGOCDAU-UHFFFAOYSA-N	-1	0	294.278	0.724	20	30		CCEDRM
N#CCc1cccc(C(=O)N[C@@H]2SC(=O)[N-]C2=O)c1	ZINC001188682378	844946946	/nfs/dbraw/zinc/94/69/46/844946946.db2.gz	MXJVXTGNYOZFHS-LLVKDONJSA-N	-1	0	275.289	0.792	20	30		CCEDRM
COc1cc(OC)nc(C(=O)[N-]c2oc(C)nc2C#N)n1	ZINC001189218747	845090638	/nfs/dbraw/zinc/09/06/38/845090638.db2.gz	OKUJUBQRTYLZGF-UHFFFAOYSA-N	-1	0	289.251	0.914	20	30		CCEDRM
C[C@H](CO)NS(=O)(=O)c1cc(C#N)ccc1F	ZINC001190608515	845443902	/nfs/dbraw/zinc/44/39/02/845443902.db2.gz	TVHGQCPAAIGVPK-SSDOTTSWSA-N	-1	0	258.274	0.356	20	30		CCEDRM
Cc1nc([N-]S(=O)(=O)c2ncc[nH]2)c(C#N)cc1C#N	ZINC001190689515	845466160	/nfs/dbraw/zinc/46/61/60/845466160.db2.gz	KMEWBRMMFJWPJS-UHFFFAOYSA-N	-1	0	288.292	0.657	20	30		CCEDRM
C=CCOC[C@H](CS(=O)(=O)[O-])OCC1CC1	ZINC001205542252	845517124	/nfs/dbraw/zinc/51/71/24/845517124.db2.gz	ZQCJWYMMKPRVOG-SNVBAGLBSA-N	-1	0	250.316	0.872	20	30		CCEDRM
CCOC(=O)[C@@H](C#N)[N-]S(=O)(=O)CC1CCCC1	ZINC001191553734	845688752	/nfs/dbraw/zinc/68/87/52/845688752.db2.gz	LZOQJJUBCYRZQG-SNVBAGLBSA-N	-1	0	274.342	0.551	20	30		CCEDRM
N=C(c1nonc1N)N(O)C(=O)c1ccc(F)c(F)c1[O-]	ZINC001192784072	845907708	/nfs/dbraw/zinc/90/77/08/845907708.db2.gz	GCWUTBCHVWUHDZ-UHFFFAOYSA-N	-1	0	299.193	0.493	20	30		CCEDRM
N#C[C@@H]1CNCCN1C(=O)c1ccc(F)c(F)c1[O-]	ZINC001192796340	845910640	/nfs/dbraw/zinc/91/06/40/845910640.db2.gz	CWPXMZVKNUVMAZ-SSDOTTSWSA-N	-1	0	267.235	0.608	20	30		CCEDRM
CCc1cnn2cc([N-]S(=O)(=O)CC#N)cnc12	ZINC001192951846	845934040	/nfs/dbraw/zinc/93/40/40/845934040.db2.gz	RMUWJPCGIDWVPV-UHFFFAOYSA-N	-1	0	265.298	0.557	20	30		CCEDRM
N#CCS(=O)(=O)[N-]c1cnn(CC(F)(F)F)c1	ZINC001192935499	845941728	/nfs/dbraw/zinc/94/17/28/845941728.db2.gz	UQEPBAUBUQLBRR-UHFFFAOYSA-N	-1	0	268.220	0.711	20	30		CCEDRM
Cc1nc([N-]S(=O)(=O)CC#N)cnc1Br	ZINC001192935609	845942071	/nfs/dbraw/zinc/94/20/71/845942071.db2.gz	YIFYKXLPRAEVHK-UHFFFAOYSA-N	-1	0	291.130	0.813	20	30		CCEDRM
COC(=O)c1onc(C)c1[N-]S(=O)(=O)CC#N	ZINC001192939665	845942994	/nfs/dbraw/zinc/94/29/94/845942994.db2.gz	VFJWKWQNIHJPCU-UHFFFAOYSA-N	-1	0	259.243	0.035	20	30		CCEDRM
CNC(=O)c1cc(C#N)cc(C)c1[N-]S(=O)(=O)CC#N	ZINC001192982211	845943805	/nfs/dbraw/zinc/94/38/05/845943805.db2.gz	JUABOOOBPVLLMO-UHFFFAOYSA-N	-1	0	292.320	0.492	20	30		CCEDRM
COC(=O)c1ccc(O)c([N-]S(=O)(=O)CC#N)c1	ZINC001192978716	845961013	/nfs/dbraw/zinc/96/10/13/845961013.db2.gz	BQYYPWSBLWNQLY-UHFFFAOYSA-N	-1	0	270.266	0.444	20	30		CCEDRM
CN1Cc2ccc([N-]S(=O)(=O)CC#N)cc2C1=O	ZINC001192979076	845961682	/nfs/dbraw/zinc/96/16/82/845961682.db2.gz	XFKZEWWQPOTPTM-UHFFFAOYSA-N	-1	0	265.294	0.537	20	30		CCEDRM
COC(=O)c1cccc([N-]S(=O)(=O)[C@H](C)C#N)n1	ZINC001193105875	845979415	/nfs/dbraw/zinc/97/94/15/845979415.db2.gz	FVZFFWIDQHIMAA-SSDOTTSWSA-N	-1	0	269.282	0.522	20	30		CCEDRM
C[C@@H](C#N)S(=O)(=O)[N-]c1cnc2nccn2c1	ZINC001193111860	845981212	/nfs/dbraw/zinc/98/12/12/845981212.db2.gz	MGLNTSMMUGBERY-ZETCQYMHSA-N	-1	0	251.271	0.383	20	30		CCEDRM
C[C@H](C#N)S(=O)(=O)[N-]c1ccc(CO)cc1F	ZINC001193146679	846004484	/nfs/dbraw/zinc/00/44/84/846004484.db2.gz	QKWPOFLWMWALCM-SSDOTTSWSA-N	-1	0	258.274	0.972	20	30		CCEDRM
C[C@@H](C#N)S(=O)(=O)[N-]c1ccc2c(c1)nnn2C	ZINC001193146716	846004742	/nfs/dbraw/zinc/00/47/42/846004742.db2.gz	RMMZHYCBUYZTSS-ZETCQYMHSA-N	-1	0	265.298	0.622	20	30		CCEDRM
C[C@@H](C#N)S(=O)(=O)[N-]c1ccc2c(c1)[nH]c(=O)[nH]c2=O	ZINC001193149529	846006302	/nfs/dbraw/zinc/00/63/02/846006302.db2.gz	PMPZMWZWWMKRIA-LURJTMIESA-N	-1	0	294.292	0.695	20	30		CCEDRM
C[C@H](C#N)S(=O)(=O)[N-]c1c(O)cccc1C#N	ZINC001193150654	846006617	/nfs/dbraw/zinc/00/66/17/846006617.db2.gz	ZQOMBAJGBWCTLC-SSDOTTSWSA-N	-1	0	251.267	0.918	20	30		CCEDRM
C[C@@H](C#N)S(=O)(=O)[N-]c1ccc(F)cc1OCCO	ZINC001193158858	846008779	/nfs/dbraw/zinc/00/87/79/846008779.db2.gz	VPXAZFHRMRHFLF-QMMMGPOBSA-N	-1	0	288.300	0.851	20	30		CCEDRM
CCOC(=O)[C@@H]([N-]S(=O)(=O)[C@@H](C)C#N)C(F)(F)F	ZINC001193168455	846012140	/nfs/dbraw/zinc/01/21/40/846012140.db2.gz	CGOKUBPGBDDLEE-NTSWFWBYSA-N	-1	0	288.247	0.312	20	30		CCEDRM
N#Cc1cc(C(=O)N[C@@H]2C=CS(=O)(=O)C2)ccc1[O-]	ZINC001193511676	846101969	/nfs/dbraw/zinc/10/19/69/846101969.db2.gz	FWMIGDGOHGIFLC-SNVBAGLBSA-N	-1	0	278.289	0.304	20	30		CCEDRM
N#Cc1cccc(C(=O)NCCCc2c[nH][nH]c2=O)c1[O-]	ZINC001193657849	846140066	/nfs/dbraw/zinc/14/00/66/846140066.db2.gz	ITYKWCWXMWBSRH-SNVBAGLBSA-N	-1	0	286.291	0.506	20	30		CCEDRM
CS(=O)(=O)CCNC(=O)c1ccc(C#N)cc1[O-]	ZINC001195733455	846604503	/nfs/dbraw/zinc/60/45/03/846604503.db2.gz	OZBWTPZEHNSEDK-UHFFFAOYSA-N	-1	0	268.294	0.038	20	30		CCEDRM
N#Cc1cnc([N-]S(=O)(=O)c2ccc(O)cc2)cn1	ZINC001195755643	846609712	/nfs/dbraw/zinc/60/97/12/846609712.db2.gz	UXMMJJSMZFQTJW-UHFFFAOYSA-N	-1	0	276.277	0.855	20	30		CCEDRM
N#Cc1ccc(C(=O)NCCCc2c[nH][nH]c2=O)c([O-])c1	ZINC001195765202	846613463	/nfs/dbraw/zinc/61/34/63/846613463.db2.gz	XCJMYGUIKBRNJP-SNVBAGLBSA-N	-1	0	286.291	0.506	20	30		CCEDRM
Cn1cnc(C#N)c1[N-]S(=O)(=O)c1ccc(O)cc1	ZINC001195767705	846615814	/nfs/dbraw/zinc/61/58/14/846615814.db2.gz	UCVOYZMDPAWBQK-UHFFFAOYSA-N	-1	0	278.293	0.798	20	30		CCEDRM
CCOC(=O)CS(=O)(=O)[N-]c1snc(C)c1C#N	ZINC001195930944	846652254	/nfs/dbraw/zinc/65/22/54/846652254.db2.gz	VDUDBHMOEPMBMT-UHFFFAOYSA-N	-1	0	289.338	0.628	20	30		CCEDRM
C=C(C)CCC(=O)N1CCC([NH2+]Cc2n[nH]c(=O)[n-]2)CC1	ZINC001200823949	847695711	/nfs/dbraw/zinc/69/57/11/847695711.db2.gz	XTLREPOYDOISSX-UHFFFAOYSA-N	-1	0	293.371	0.947	20	30		CCEDRM
C=CCNC(=O)Nc1cc(S(=O)(=O)C(N)=O)ccc1[O-]	ZINC001202574726	848180994	/nfs/dbraw/zinc/18/09/94/848180994.db2.gz	WUTLHAAOKQJDKG-UHFFFAOYSA-N	-1	0	299.308	0.966	20	30		CCEDRM
N#Cc1ccccc1S(=O)(=O)N(CC(=O)[O-])C1CC1	ZINC000037592456	848288086	/nfs/dbraw/zinc/28/80/86/848288086.db2.gz	KLHRCJJDLQRONH-UHFFFAOYSA-N	-1	0	280.305	0.796	20	30		CCEDRM
CN1C[C@H]2C[C@@H](C1)N2C(=O)c1cccc(C#N)c1[O-]	ZINC001275734325	848802975	/nfs/dbraw/zinc/80/29/75/848802975.db2.gz	CEHJOXDCTLYXDZ-PHIMTYICSA-N	-1	0	257.293	0.792	20	30		CCEDRM
C=CCN(CC(=O)[O-])C(=O)NC[C@@]1(OC)CCSC1	ZINC000719323455	849307748	/nfs/dbraw/zinc/30/77/48/849307748.db2.gz	HAPXARMUHNHABB-LBPRGKRZSA-N	-1	0	288.369	0.791	20	30		CCEDRM
N#CCN1CC[C@H]1CNC(=O)c1n[n-]c2ccccc2c1=O	ZINC001038765049	850008923	/nfs/dbraw/zinc/00/89/23/850008923.db2.gz	VBMJGHMJRCKZHK-JTQLQIEISA-N	-1	0	297.318	0.663	20	30		CCEDRM
Cc1[nH]nc(C(=O)N2CCC[C@@H]3[C@@H]2CCN3CC#N)c1[O-]	ZINC001049422955	852268352	/nfs/dbraw/zinc/26/83/52/852268352.db2.gz	PUPJPFFSKXHSSS-MNOVXSKESA-N	-1	0	289.339	0.626	20	30		CCEDRM
C#CC[C@H](NC(=O)CCc1c(C)nn(C)c1C)C(=O)[O-]	ZINC000149650529	853990861	/nfs/dbraw/zinc/99/08/61/853990861.db2.gz	FSQOMRQSDVLESM-LBPRGKRZSA-N	-1	0	277.324	0.562	20	30		CCEDRM
C#CC[C@H](NC(=O)c1cc(OC)cs1)C(=O)[O-]	ZINC000149871514	854005298	/nfs/dbraw/zinc/00/52/98/854005298.db2.gz	QEQRILVLHVWISO-QMMMGPOBSA-N	-1	0	253.279	0.963	20	30		CCEDRM
C#CC[C@H](NC(=O)c1ccc2c(c1)CCO2)C(=O)[O-]	ZINC000149890203	854006885	/nfs/dbraw/zinc/00/68/85/854006885.db2.gz	VXCDIOYTVAEQRP-NSHDSACASA-N	-1	0	259.261	0.828	20	30		CCEDRM
N#CCSCC(=O)N1CCSC[C@H]1c1nnn[n-]1	ZINC001116744886	855824902	/nfs/dbraw/zinc/82/49/02/855824902.db2.gz	WNAQWLKCWWTBBO-ZETCQYMHSA-N	-1	0	284.370	0.073	20	30		CCEDRM
C=Cn1cc(C=Nn2c(=O)c(C)n[n-]c2=S)cn1	ZINC001116817045	855840260	/nfs/dbraw/zinc/84/02/60/855840260.db2.gz	OVIBWZRQHOQRJR-UHFFFAOYSA-N	-1	0	262.298	0.415	20	30		CCEDRM
N#Cc1cccc(C(=O)[N-]S(=O)(=O)C(F)F)n1	ZINC001117679199	856045055	/nfs/dbraw/zinc/04/50/55/856045055.db2.gz	SIPAYVATICBBHP-UHFFFAOYSA-N	-1	0	261.209	0.235	20	30		CCEDRM
C[C@@H](C#N)CN(C)C(=O)c1c[n-]n2c1nccc2=O	ZINC001117764352	856074841	/nfs/dbraw/zinc/07/48/41/856074841.db2.gz	ZENHCAYNJZAVSB-QMMMGPOBSA-N	-1	0	259.269	0.254	20	30		CCEDRM
C=C[C@H](C)O[N-]C(=O)C(=O)Nc1cc(C)nn1CCC#N	ZINC001118312969	856254148	/nfs/dbraw/zinc/25/41/48/856254148.db2.gz	IYNAMUMTYPYBST-JTQLQIEISA-N	-1	0	291.311	0.666	20	30		CCEDRM
CC#CCS(=O)(=O)[N-]C(=O)c1cccc2c1COCC2	ZINC001118541050	856333787	/nfs/dbraw/zinc/33/37/87/856333787.db2.gz	FEKYWBCFQWKFGD-UHFFFAOYSA-N	-1	0	293.344	0.842	20	30		CCEDRM
C=CCCCNC(=O)C(=O)N1CC[C@](COC)(C(=O)[O-])C1	ZINC001119392466	856665720	/nfs/dbraw/zinc/66/57/20/856665720.db2.gz	LYWFLVDRAIKMOP-AWEZNQCLSA-N	-1	0	298.339	0.019	20	30		CCEDRM
C#CCSCC(=O)[N-]S(=O)(=O)CCC(F)(F)F	ZINC001119429812	856682309	/nfs/dbraw/zinc/68/23/09/856682309.db2.gz	GWTVDLSRFOPHPD-UHFFFAOYSA-N	-1	0	289.300	0.751	20	30		CCEDRM
C=CCO[C@H]1CCN(C(=O)c2cc(C(=O)[O-])on2)C1	ZINC001119580939	856753449	/nfs/dbraw/zinc/75/34/49/856753449.db2.gz	RWDNYBAFYTYALC-QMMMGPOBSA-N	-1	0	266.253	0.790	20	30		CCEDRM
C=CC[C@@H](NC(=O)c1cnc([C@H](C)O)s1)C(=O)[O-]	ZINC001119643722	856803165	/nfs/dbraw/zinc/80/31/65/856803165.db2.gz	GGLVLQDWZBAWEY-NKWVEPMBSA-N	-1	0	270.310	0.956	20	30		CCEDRM
N#CCCCS(=O)(=O)[N-]C(=O)Cc1ccccc1	ZINC001324546959	912897511	/nfs/dbraw/zinc/89/75/11/912897511.db2.gz	KMFZSAZJZNZDRQ-UHFFFAOYSA-N	-1	0	266.322	0.979	20	30		CCEDRM
CC(=NNc1nnc(C)c(=O)[n-]1)c1csnn1	ZINC001324914921	913085734	/nfs/dbraw/zinc/08/57/34/913085734.db2.gz	VLKQCZBFMSCMFI-UHFFFAOYSA-N	-1	0	251.275	0.573	20	30		CCEDRM
C=CC[C@@H](NC(=O)CCCC(=O)NCC)C(=O)[O-]	ZINC001325143685	913243162	/nfs/dbraw/zinc/24/31/62/913243162.db2.gz	LSUNKRBVRDRACT-SECBINFHSA-N	-1	0	256.302	0.438	20	30		CCEDRM
N#CC1(CS(=O)(=O)[N-]C(=O)/C=C\c2ccncn2)CC1	ZINC001325735141	913549439	/nfs/dbraw/zinc/54/94/39/913549439.db2.gz	JNBFZEMKCYRNJG-UPHRSURJSA-N	-1	0	292.320	0.240	20	30		CCEDRM
C#C[C@H]1CCCCN1C(=O)c1cccc(-n2[n-]nnc2=N)c1	ZINC000890657517	891447501	/nfs/dbraw/zinc/44/75/01/891447501.db2.gz	SFVPQDIEEJRZJU-LBPRGKRZSA-N	-1	0	296.334	0.703	20	30		CCEDRM
C=CCOC[C@H](NC(=O)[C@@H]1CCC[C@H]1OC)C(=O)[O-]	ZINC001349931269	891799888	/nfs/dbraw/zinc/79/98/88/891799888.db2.gz	HOXZFKGBEVVVJQ-OUAUKWLOSA-N	-1	0	271.313	0.574	20	30		CCEDRM
C=C[C@@H]1OCC[C@H]1CNC(=O)C(=O)[N-]OCC(C)C	ZINC001325987211	913679430	/nfs/dbraw/zinc/67/94/30/913679430.db2.gz	YMAJVDKEGUVPES-QWRGUYRKSA-N	-1	0	270.329	0.398	20	30		CCEDRM
C=CC(C)(C)CC(=O)N[C@@H]1CCN(Cc2n[nH]c(=O)[n-]2)C1	ZINC001481701814	893044875	/nfs/dbraw/zinc/04/48/75/893044875.db2.gz	CROQEQKXUJBQCK-SNVBAGLBSA-N	-1	0	293.371	0.803	20	30		CCEDRM
C=CC[C@H](NC(=O)c1ccc(CNC(N)=O)cc1)C(=O)[O-]	ZINC000150131602	894981338	/nfs/dbraw/zinc/98/13/38/894981338.db2.gz	YKXHNWXMLRAXFF-NSHDSACASA-N	-1	0	291.307	0.614	20	30		CCEDRM
C=C(C)CO[N-]C(=O)C(=O)Nc1ncc(OC)cn1	ZINC001326483092	913982658	/nfs/dbraw/zinc/98/26/58/913982658.db2.gz	BKLJBRJESDUXOB-UHFFFAOYSA-N	-1	0	266.257	0.048	20	30		CCEDRM
N#CCc1cc(NCCOP(=O)([O-])[O-])cc[nH+]1	ZINC001168592839	897724117	/nfs/dbraw/zinc/72/41/17/897724117.db2.gz	ZQTIRWAMAXPUBZ-UHFFFAOYSA-N	-1	0	257.186	0.091	20	30		CCEDRM
CCOC(=O)c1cc([N-]S(=O)(=O)[C@@H](C)C#N)ccn1	ZINC001193106602	900031827	/nfs/dbraw/zinc/03/18/27/900031827.db2.gz	HKXNCEYDSSFUIQ-QMMMGPOBSA-N	-1	0	283.309	0.334	20	30		CCEDRM
COC(=O)c1ccnc(C)c1[N-]S(=O)(=O)[C@H](C)C#N	ZINC001193110675	900034564	/nfs/dbraw/zinc/03/45/64/900034564.db2.gz	ATQDYAFOKUSXMN-SSDOTTSWSA-N	-1	0	283.309	0.830	20	30		CCEDRM
COC(=O)[C@@H](C)CNC(=O)c1[n-]c(=O)c(C#N)cc1C	ZINC001411708342	901207797	/nfs/dbraw/zinc/20/77/97/901207797.db2.gz	SVMASGFVAUQFJF-QMMMGPOBSA-N	-1	0	277.280	0.506	20	30		CCEDRM
Cc1cc(C#N)c(=O)[n-]c1C(=O)Nc1c[nH]ccc1=O	ZINC001412503007	901772676	/nfs/dbraw/zinc/77/26/76/901772676.db2.gz	KTVGTKQVXNKKFQ-UHFFFAOYSA-N	-1	0	270.248	0.908	20	30		CCEDRM
CNC(=O)[C@H](C)CN(C)C(=O)c1[n-]c(=O)c(C#N)cc1C	ZINC001412648014	901904706	/nfs/dbraw/zinc/90/47/06/901904706.db2.gz	XTJDCOWWSQFREM-SECBINFHSA-N	-1	0	290.323	0.421	20	30		CCEDRM
Cc1cc(C#N)c(=O)[n-]c1C(=O)N1CC[C@@H](C)[C@@H]1CO	ZINC001412841790	902291982	/nfs/dbraw/zinc/29/19/82/902291982.db2.gz	SRNYILGILYKZCT-KCJUWKMLSA-N	-1	0	275.308	0.810	20	30		CCEDRM
N#CCCCCS(=O)(=O)NC1(C(=O)[O-])CCOCC1	ZINC001327628810	914664284	/nfs/dbraw/zinc/66/42/84/914664284.db2.gz	HMILLNIEOLDXQM-UHFFFAOYSA-N	-1	0	290.341	0.233	20	30		CCEDRM
Cc1cccc(C#N)c1S(=O)(=O)[N-]c1nnn(C)n1	ZINC001413426477	902942573	/nfs/dbraw/zinc/94/25/73/902942573.db2.gz	HNWBVTIMKPWYQV-UHFFFAOYSA-N	-1	0	278.297	0.191	20	30		CCEDRM
C[C@@H](C(=O)N(C)C)S(=O)(=O)[N-]c1cccc(CC#N)n1	ZINC001413461724	902965873	/nfs/dbraw/zinc/96/58/73/902965873.db2.gz	YOPNCVTWKIPVIV-VIFPVBQESA-N	-1	0	296.352	0.366	20	30		CCEDRM
N#Cc1ccc(CCN2CCO[C@@H](C(=O)[O-])C2)cc1	ZINC001327913247	914854206	/nfs/dbraw/zinc/85/42/06/914854206.db2.gz	MDJSYSOBGGRHIH-CYBMUJFWSA-N	-1	0	260.293	0.886	20	30		CCEDRM
C#C[C@H](C)N(C)S(=O)(=O)CC1(C(=O)[O-])CCCC1	ZINC001588368770	983307645	/nfs/dbraw/zinc/30/76/45/983307645.db2.gz	SDCNYOXHNVUHBJ-JTQLQIEISA-N	-1	0	273.354	0.915	20	30		CCEDRM
C=CCO[N-]C(=O)C(=O)Nc1ccnn1C1CCOCC1	ZINC001337354069	921239150	/nfs/dbraw/zinc/23/91/50/921239150.db2.gz	YQVZZDNWYFMZLL-UHFFFAOYSA-N	-1	0	294.311	0.407	20	30		CCEDRM
COCC1(NC(=O)c2[n-]c(=O)c(C#N)cc2C)CC1	ZINC001294552661	906603044	/nfs/dbraw/zinc/60/30/44/906603044.db2.gz	FMXCOPMEQBTPEP-UHFFFAOYSA-N	-1	0	261.281	0.876	20	30		CCEDRM
CC(C)C#CC(=O)NC[C@@H](NC(=O)c1cn[nH]n1)C1CC1	ZINC001294887826	906649486	/nfs/dbraw/zinc/64/94/86/906649486.db2.gz	KWIDNTUNHZPSCN-LLVKDONJSA-N	-1	0	289.339	0.089	20	30		CCEDRM
C[C@H](C#N)CN(C(=O)c1n[nH]c(=O)[n-]c1=O)C1CC1	ZINC001295824073	906809075	/nfs/dbraw/zinc/80/90/75/906809075.db2.gz	CROWAHPEYHYIFS-ZCFIWIBFSA-N	-1	0	263.257	0.047	20	30		CCEDRM
C#CCO[C@@H](C)C(=O)Nc1ccc([O-])c(S(N)(=O)=O)c1	ZINC001295841947	906815068	/nfs/dbraw/zinc/81/50/68/906815068.db2.gz	BHHHZDPKFQUYAY-QMMMGPOBSA-N	-1	0	298.320	0.016	20	30		CCEDRM
CC(C)[C@@H](C#N)NC(=O)c1c[n-]n2c1nccc2=O	ZINC001296765636	906957504	/nfs/dbraw/zinc/95/75/04/906957504.db2.gz	NPNFZEIBRRVEQF-SECBINFHSA-N	-1	0	259.269	0.301	20	30		CCEDRM
C=CC[C@H]1CCCN(c2nnnn2CC(=O)[N-]OC)C1	ZINC001335866295	907103627	/nfs/dbraw/zinc/10/36/27/907103627.db2.gz	ZYNPFKPXZMBXAK-JTQLQIEISA-N	-1	0	280.332	0.143	20	30		CCEDRM
C[C@@H](Nc1[n-]c(=O)n(C)c(=O)c1C#N)C1CCCC1	ZINC001338008033	921336153	/nfs/dbraw/zinc/33/61/53/921336153.db2.gz	KMGYIVSMOOHUBL-MRVPVSSYSA-N	-1	0	262.313	0.936	20	30		CCEDRM
Cc1n[nH]c(C(=O)N[C@H](C)CN(C)C(=O)[C@H](C)C#N)c1[O-]	ZINC001382199085	907614805	/nfs/dbraw/zinc/61/48/05/907614805.db2.gz	PQCLYXJYQHXOMX-HTQZYQBOSA-N	-1	0	293.327	0.160	20	30		CCEDRM
Cn1c(=O)[n-]c(NC(C)(C)/C=C\Cl)c(C#N)c1=O	ZINC001338100281	921370212	/nfs/dbraw/zinc/37/02/12/921370212.db2.gz	YZXPDWWSFZHUEK-PLNGDYQASA-N	-1	0	268.704	0.888	20	30		CCEDRM
N#Cc1cccc(ONC(=O)CCc2nnn[n-]2)c1	ZINC001302373356	908017396	/nfs/dbraw/zinc/01/73/96/908017396.db2.gz	GJIKLBOOVNDCBJ-UHFFFAOYSA-N	-1	0	258.241	0.114	20	30		CCEDRM
N#C[C@H](NC(=O)c1n[nH]c(=O)[n-]c1=O)C1CCCC1	ZINC001303061490	908058526	/nfs/dbraw/zinc/05/85/26/908058526.db2.gz	WJUHMLIEHIDCKA-ZETCQYMHSA-N	-1	0	263.257	0.095	20	30		CCEDRM
C=C[C@@H](C)O[N-]C(=O)c1cc([N+](=O)[O-])c[nH]c1=O	ZINC001306868540	908272528	/nfs/dbraw/zinc/27/25/28/908272528.db2.gz	GCNUQQMTGJWIBS-ZCFIWIBFSA-N	-1	0	253.214	0.931	20	30		CCEDRM
CC(C)(C)CCNC(=O)Cn1cc(C#N)c(=O)[n-]c1=O	ZINC001417608238	921449655	/nfs/dbraw/zinc/44/96/55/921449655.db2.gz	JEVUIVGNZDHKIO-UHFFFAOYSA-N	-1	0	278.312	0.373	20	30		CCEDRM
Cc1cc(C#N)c(=O)[n-]c1C(=O)NCCC(=O)N(C)C	ZINC001417612729	921451581	/nfs/dbraw/zinc/45/15/81/921451581.db2.gz	CBLYBGAYDLFQEK-UHFFFAOYSA-N	-1	0	276.296	0.175	20	30		CCEDRM
Cc1[nH]nc(C(=O)N2CCC([C@H](C)NCC#N)CC2)c1[O-]	ZINC001317678434	909469055	/nfs/dbraw/zinc/46/90/55/909469055.db2.gz	SDKUNNRCSCYOTD-VIFPVBQESA-N	-1	0	291.355	0.778	20	30		CCEDRM
C=C(CCC(=O)[O-])C(=O)N(C)[C@@H](C)C[S@@](C)=O	ZINC001588607055	983699712	/nfs/dbraw/zinc/69/97/12/983699712.db2.gz	QNKZHCFWDXPYFQ-HUTHGQBESA-N	-1	0	261.343	0.633	20	30		CCEDRM
Cc1nnc(NN=C2c3cccc(F)c3NC2=O)[n-]c1=O	ZINC001319513446	910182431	/nfs/dbraw/zinc/18/24/31/910182431.db2.gz	JHKZOQCGIYDJFL-UHFFFAOYSA-N	-1	0	288.242	0.793	20	30		CCEDRM
C=CC[C@@H](NC(=O)CNC(=O)OC(C)(C)C)C(=O)[O-]	ZINC001321167172	911134574	/nfs/dbraw/zinc/13/45/74/911134574.db2.gz	RJTKMKSVXMUATM-MRVPVSSYSA-N	-1	0	272.301	0.657	20	30		CCEDRM
C=CC[C@@H](NC(=O)c1cccc(OC)n1)C(=O)[O-]	ZINC001321658065	911426289	/nfs/dbraw/zinc/42/62/89/911426289.db2.gz	MVFRNLKMVLWQNL-SECBINFHSA-N	-1	0	250.254	0.849	20	30		CCEDRM
CC[C@@]1(C)NC(=O)N([N-]C(=O)c2cc(C#N)ccn2)C1=O	ZINC001323036130	912083576	/nfs/dbraw/zinc/08/35/76/912083576.db2.gz	XKGKUPSVEBDRKM-CYBMUJFWSA-N	-1	0	287.279	0.319	20	30		CCEDRM
C=C[C@@](C)(O)C(=O)NCc1cc(C(=O)[O-])c(C)o1	ZINC001339508650	921741294	/nfs/dbraw/zinc/74/12/94/921741294.db2.gz	DZLSVELFVGEACB-GFCCVEGCSA-N	-1	0	253.254	0.839	20	30		CCEDRM
C=CC[C@H](NC(=O)c1ccnc(N2CCCC2)n1)C(=O)[O-]	ZINC001339523961	921750220	/nfs/dbraw/zinc/75/02/20/921750220.db2.gz	NPAYFWQXSSCUGZ-NSHDSACASA-N	-1	0	290.323	0.836	20	30		CCEDRM
C=CCCC(=O)N1CCC(C(=O)[O-])([S@@](C)=O)CC1	ZINC001339539457	921755764	/nfs/dbraw/zinc/75/57/64/921755764.db2.gz	MLDZYGCIUGQZGP-GOSISDBHSA-N	-1	0	273.354	0.777	20	30		CCEDRM
C=C[C@@H](C)O[N-]C(=O)C(=O)Nc1cn(C)c(=O)cc1C	ZINC001328726035	915388968	/nfs/dbraw/zinc/38/89/68/915388968.db2.gz	GOFNOYRNXPQAOH-SECBINFHSA-N	-1	0	279.296	0.255	20	30		CCEDRM
N#CCCCCC(=O)[N-]S(=O)(=O)c1cnc2n1CCC2	ZINC001329054089	915629762	/nfs/dbraw/zinc/62/97/62/915629762.db2.gz	IQMVPDITGKRCNU-UHFFFAOYSA-N	-1	0	296.352	0.718	20	30		CCEDRM
C=C[C@H](C)O[N-]C(=O)C(=O)Nc1cc(C)c(=O)n(C)c1	ZINC001329676052	916118665	/nfs/dbraw/zinc/11/86/65/916118665.db2.gz	UZRVYGXROYBIGF-VIFPVBQESA-N	-1	0	279.296	0.255	20	30		CCEDRM
C=C(C)CN(CC)C(=O)C(=O)N[C@H]1C[C@H](C(=O)[O-])C1	ZINC001331074237	917068817	/nfs/dbraw/zinc/06/88/17/917068817.db2.gz	JOBUBZNAELRWSB-MGCOHNPYSA-N	-1	0	268.313	0.390	20	30		CCEDRM
Cc1cnc(F)cc1C(=O)[N-]S(=O)(=O)CC1(C#N)CC1	ZINC001331453041	917345644	/nfs/dbraw/zinc/34/56/44/917345644.db2.gz	FHUYMUCWWLCFHM-UHFFFAOYSA-N	-1	0	297.311	0.893	20	30		CCEDRM
C=CC[C@@H](NC(=O)/C=C(/C)CN1CCOCC1)C(=O)[O-]	ZINC001332135882	917895546	/nfs/dbraw/zinc/89/55/46/917895546.db2.gz	MOBRTMUGIBQHPK-UCQJPZFISA-N	-1	0	282.340	0.410	20	30		CCEDRM
C=CC[C@H](NC(=O)c1cc(CO)c(C)o1)C(=O)[O-]	ZINC001332137299	917895617	/nfs/dbraw/zinc/89/56/17/917895617.db2.gz	VDRYHVSXAREGLT-VIFPVBQESA-N	-1	0	253.254	0.839	20	30		CCEDRM
C#CCC1(NC(=O)CCCc2nnn[n-]2)CCOCC1	ZINC001333597274	919030265	/nfs/dbraw/zinc/03/02/65/919030265.db2.gz	OJAUIJZJAUATQR-UHFFFAOYSA-N	-1	0	277.328	0.211	20	30		CCEDRM
N#Cc1nc(NC(=O)c2cc[nH]c(=O)c2)[n-]c1C#N	ZINC001333692718	919104417	/nfs/dbraw/zinc/10/44/17/919104417.db2.gz	NOTDHNSMJZPDAG-UHFFFAOYSA-N	-1	0	254.209	0.506	20	30		CCEDRM
O=C(N[C@@H]1CCN(O)C1=O)c1ncc(Cl)s1	ZINC001334726069	919728455	/nfs/dbraw/zinc/72/84/55/919728455.db2.gz	PJRRBKFXQIRIKP-SCSAIBSYSA-N	-1	0	261.690	0.516	20	30		CCEDRM
N#CCC1(O)CN(C(=O)c2cc(F)cc(F)c2[O-])C1	ZINC001335273315	920084239	/nfs/dbraw/zinc/08/42/39/920084239.db2.gz	QKFAVPIYHQWDCZ-UHFFFAOYSA-N	-1	0	268.219	0.771	20	30		CCEDRM
C=CCO[C@H]1CCN(C(=O)[C@H]2C[C@@H](C)[C@H](C(=O)[O-])O2)C1	ZINC001335429378	920189012	/nfs/dbraw/zinc/18/90/12/920189012.db2.gz	BMBHYNFLINWSRF-WRWGMCAJSA-N	-1	0	283.324	0.668	20	30		CCEDRM
C#CCN(CC(=O)OC(C)(C)C)C(=O)c1c[n-]ncc1=O	ZINC001335981573	920541461	/nfs/dbraw/zinc/54/14/61/920541461.db2.gz	JZTSLNUMBICIAQ-UHFFFAOYSA-N	-1	0	291.307	0.599	20	30		CCEDRM
C=C[C@H](COC)NS(=O)(=O)c1cccc(C(=O)[O-])c1	ZINC001336352708	920731453	/nfs/dbraw/zinc/73/14/53/920731453.db2.gz	NSQMLUIIZSHULJ-SNVBAGLBSA-N	-1	0	285.321	0.864	20	30		CCEDRM
C[C@@H]1CSC[C@H]1Nc1[n-]c(=O)n(C)c(=O)c1C#N	ZINC001336636619	920891205	/nfs/dbraw/zinc/89/12/05/920891205.db2.gz	IPMOCRLNGVXSDO-HTRCEHHLSA-N	-1	0	266.326	0.109	20	30		CCEDRM
C=CC[C@H]1CCCN(c2[n-]c(=O)n(C)c(=O)c2C#N)C1	ZINC001336694607	920933706	/nfs/dbraw/zinc/93/37/06/920933706.db2.gz	ZPTRZECLTXADMG-JTQLQIEISA-N	-1	0	274.324	0.738	20	30		CCEDRM
CO[C@@H]1COCC[C@@H]1CC(=O)Nc1nc(C#N)c(C#N)[n-]1	ZINC001418237867	921952865	/nfs/dbraw/zinc/95/28/65/921952865.db2.gz	OAJOJAOADNKIBZ-LDYMZIIASA-N	-1	0	289.295	0.533	20	30		CCEDRM
CC(C)CN(Cc1nnn[n-]1)C(=O)c1ccc(C#N)o1	ZINC001419137830	922657889	/nfs/dbraw/zinc/65/78/89/922657889.db2.gz	ONRAGVATHSMMQW-UHFFFAOYSA-N	-1	0	274.284	0.963	20	30		CCEDRM
C=CCNC(=O)C(C#N)=C([O-])c1ccnc2c1ncn2C	ZINC001341932109	922725897	/nfs/dbraw/zinc/72/58/97/922725897.db2.gz	ZJHSEHMHIBEKOG-SNVBAGLBSA-N	-1	0	283.291	0.593	20	30		CCEDRM
C=CCn1c(CCc2nn[nH]n2)nnc1N(C)CC(C)C	ZINC001342035937	922774300	/nfs/dbraw/zinc/77/43/00/922774300.db2.gz	HKODYLRHTKLGJU-UHFFFAOYSA-N	-1	0	290.375	0.855	20	30		CCEDRM
COCCNC(=O)C(C#N)=C([O-])c1c(C)ccn1C	ZINC001342595368	923015663	/nfs/dbraw/zinc/01/56/63/923015663.db2.gz	KFDNFHPUZOJKIS-SNVBAGLBSA-N	-1	0	263.297	0.419	20	30		CCEDRM
COCCNC(=O)C(C#N)=C([O-])c1ccnc(Cl)c1	ZINC001342607618	923023603	/nfs/dbraw/zinc/02/36/03/923023603.db2.gz	SLSCCSPSKULHJH-VIFPVBQESA-N	-1	0	281.699	0.820	20	30		CCEDRM
N#CC(C(=O)NC1CC1)=C([O-])c1cn(C2CC2)nn1	ZINC001343502286	923351896	/nfs/dbraw/zinc/35/18/96/923351896.db2.gz	WCMDNQZKYFOPKL-VIFPVBQESA-N	-1	0	259.269	0.214	20	30		CCEDRM
CNC(=O)C(C#N)=C([O-])c1cnc(C(C)=O)s1	ZINC001343623440	923379330	/nfs/dbraw/zinc/37/93/30/923379330.db2.gz	PRARQBYOHUIEAH-ZCFIWIBFSA-N	-1	0	251.267	0.414	20	30		CCEDRM
C=C(Cl)C[C@@H](NC(=O)c1n[nH]c(=O)[n-]1)C(=O)OCC	ZINC001421002304	924088620	/nfs/dbraw/zinc/08/86/20/924088620.db2.gz	RCADNCRSMMEBGF-ZCFIWIBFSA-N	-1	0	288.691	0.314	20	30		CCEDRM
COc1c(C([O-])=C(C#N)C(=O)N2CCCC2)cnn1C	ZINC001346199467	924106391	/nfs/dbraw/zinc/10/63/91/924106391.db2.gz	XBVDTQGMANPNNO-SECBINFHSA-N	-1	0	276.296	0.374	20	30		CCEDRM
COc1cc(C([O-])=C(C#N)C(=O)N2CCCC2)ncn1	ZINC001346199066	924107501	/nfs/dbraw/zinc/10/75/01/924107501.db2.gz	MCZFCGYMMIMRAL-SECBINFHSA-N	-1	0	274.280	0.430	20	30		CCEDRM
C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)C(=O)[N-]OCC(C)C	ZINC001347567111	924482704	/nfs/dbraw/zinc/48/27/04/924482704.db2.gz	GFQQSBSCDKHZKT-NEPJUHHUSA-N	-1	0	284.356	0.788	20	30		CCEDRM
C=C[C@H](C)O[N-]C(=O)CN1CCCC2(CC2)S1(=O)=O	ZINC001348771006	924799812	/nfs/dbraw/zinc/79/98/12/924799812.db2.gz	QDBHYXUOMAQGSW-JTQLQIEISA-N	-1	0	288.369	0.567	20	30		CCEDRM
C=CCCC(C)(C)CNC(=O)C(=O)NC[C@H](C)C(=O)[O-]	ZINC001349949784	925103915	/nfs/dbraw/zinc/10/39/15/925103915.db2.gz	FYOYJNLAFIEKTM-JTQLQIEISA-N	-1	0	284.356	0.932	20	30		CCEDRM
C#CC1(O)CCN(C(=O)c2ccc3oc(=O)nc-3[n-]2)CC1	ZINC001350829397	925289630	/nfs/dbraw/zinc/28/96/30/925289630.db2.gz	OEWSGMZNMXHSRR-UHFFFAOYSA-N	-1	0	287.275	0.529	20	30		CCEDRM
CCO[C@@H](C(=O)[N-]S(=O)(=O)CCCC#N)C1CC1	ZINC001351511606	925428814	/nfs/dbraw/zinc/42/88/14/925428814.db2.gz	RSSWIACSRLMIHV-SNVBAGLBSA-N	-1	0	274.342	0.551	20	30		CCEDRM
C#CCN(CC#CC)c1nnc(-c2cc(=O)[nH][n-]2)n1CC=C	ZINC001351850841	925485381	/nfs/dbraw/zinc/48/53/81/925485381.db2.gz	BRNHQOTXLDBBTG-UHFFFAOYSA-N	-1	0	296.334	0.151	20	30		CCEDRM
C=C(CC(C)C)C(=O)N1CCOC[C@@H]1c1nnn[n-]1	ZINC001352486362	925585660	/nfs/dbraw/zinc/58/56/60/925585660.db2.gz	NXLQOIXGQHWXOX-SNVBAGLBSA-N	-1	0	265.317	0.702	20	30		CCEDRM
C=CCC[C@H](NC(=O)[C@H](C)N1CCN(C)CC1)C(=O)[O-]	ZINC001354046575	925997097	/nfs/dbraw/zinc/99/70/97/925997097.db2.gz	FGQZYSHFVIHHGB-RYUDHWBXSA-N	-1	0	283.372	0.158	20	30		CCEDRM
C=CCNC(=O)C(C#N)=C([O-])c1cc(OC)n(C)n1	ZINC001356059260	926340951	/nfs/dbraw/zinc/34/09/51/926340951.db2.gz	KTWUSALERMABCW-QMMMGPOBSA-N	-1	0	262.269	0.053	20	30		CCEDRM
CC#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)[N-]OCCO	ZINC001358147063	926647738	/nfs/dbraw/zinc/64/77/38/926647738.db2.gz	ADHVGGYMNPQDGE-SNVBAGLBSA-N	-1	0	286.328	0.333	20	30		CCEDRM
N#Cc1c[n-]n2c1nc(CN1CCO[C@H](C#N)C1)cc2=O	ZINC001421490141	926776570	/nfs/dbraw/zinc/77/65/70/926776570.db2.gz	CEYKWJMHPHYNMA-LLVKDONJSA-N	-1	0	284.279	0.031	20	30		CCEDRM
C=CC[C@H](NC(=O)c1c(C)nn(C)c1C)C(=O)[O-]	ZINC000150288627	926946493	/nfs/dbraw/zinc/94/64/93/926946493.db2.gz	BMWMIJTXPYMOFF-VIFPVBQESA-N	-1	0	251.286	0.796	20	30		CCEDRM
C[C@@H](CC#N)NC(=O)c1nc[n-]c(=O)c1Br	ZINC001361950081	927470564	/nfs/dbraw/zinc/47/05/64/927470564.db2.gz	PJHZHZBZOBZORZ-YFKPBYRVSA-N	-1	0	285.101	0.977	20	30		CCEDRM
C=C(Cl)CNC(=O)c1cc(S(N)(=O)=O)ccc1[O-]	ZINC001362184344	927705912	/nfs/dbraw/zinc/70/59/12/927705912.db2.gz	OAEFOPJJZPKINE-UHFFFAOYSA-N	-1	0	290.728	0.522	20	30		CCEDRM
CS[C@@H](CO)[C@H](C)NC(=O)c1[n-]c(=O)c(C#N)cc1C	ZINC001362194998	927718612	/nfs/dbraw/zinc/71/86/12/927718612.db2.gz	FPNUPEVMPJVTPJ-WPRPVWTQSA-N	-1	0	295.364	0.810	20	30		CCEDRM
N#C[C@@]1(C(=O)NCCc2nc(=O)o[n-]2)CC2CCC1CC2	ZINC001362403501	927973386	/nfs/dbraw/zinc/97/33/86/927973386.db2.gz	VTXNCKIOSZTMJY-FDZGAKKTSA-N	-1	0	290.323	0.742	20	30		CCEDRM
CCC(CC)(NC(=O)Cc1ccc(C#N)nc1)c1nnn[n-]1	ZINC001362494259	928098464	/nfs/dbraw/zinc/09/84/64/928098464.db2.gz	GRWNXJZTDFVAOV-UHFFFAOYSA-N	-1	0	299.338	0.841	20	30		CCEDRM
N#Cc1nc(NC(=O)c2ncc(Cl)cn2)[n-]c1C#N	ZINC001362611282	928249611	/nfs/dbraw/zinc/24/96/11/928249611.db2.gz	GKXRCYBRMJAIOP-UHFFFAOYSA-N	-1	0	273.643	0.849	20	30		CCEDRM
N#Cc1cc(C(=O)N2CCSC[C@H]2c2nnn[n-]2)co1	ZINC001362667323	928328061	/nfs/dbraw/zinc/32/80/61/928328061.db2.gz	GSNYMCFTLULYGK-VIFPVBQESA-N	-1	0	290.308	0.595	20	30		CCEDRM
Cc1cc(C#N)c(=O)[n-]c1C(=O)NC[C@@H]1CC[C@H](O)C1	ZINC001362787188	928488009	/nfs/dbraw/zinc/48/80/09/928488009.db2.gz	RXGHHCODTJAZIR-KOLCDFICSA-N	-1	0	275.308	0.858	20	30		CCEDRM
CC1(C#N)CN(C(=O)c2cccc(-n3[n-]nnc3=N)c2)C1	ZINC001362804822	928511960	/nfs/dbraw/zinc/51/19/60/928511960.db2.gz	IMWZQQBRNXZXBM-UHFFFAOYSA-N	-1	0	283.295	0.061	20	30		CCEDRM
CC(=O)N1CC[C@](C)(C(=O)Nc2nc(C#N)c(C#N)[n-]2)C1	ZINC001362971789	928712771	/nfs/dbraw/zinc/71/27/71/928712771.db2.gz	QXGXVQNDWYHFBN-ZDUSSCGKSA-N	-1	0	286.295	0.350	20	30		CCEDRM
CC(C)([N-]C(=O)C(F)(F)F)C(=O)Nc1n[nH]cc1C#N	ZINC001363109784	928881091	/nfs/dbraw/zinc/88/10/91/928881091.db2.gz	MFTQWHNJMDNWLO-UHFFFAOYSA-N	-1	0	289.217	0.677	20	30		CCEDRM
CCC[C@H](C)NC(=O)NCCn1cc(C#N)c(=O)[n-]c1=O	ZINC001426644679	928892651	/nfs/dbraw/zinc/89/26/51/928892651.db2.gz	QPCYQYPNVXCKDY-VIFPVBQESA-N	-1	0	293.327	0.308	20	30		CCEDRM
N#Cc1ccc([C@@H]2CN(C(=O)c3n[nH]c(=O)[n-]3)CCO2)cc1	ZINC001363125653	928896183	/nfs/dbraw/zinc/89/61/83/928896183.db2.gz	TVRQUPPDYPABSO-NSHDSACASA-N	-1	0	299.290	0.596	20	30		CCEDRM
Cn1c(=O)[n-]c(Sc2cccc(CO)c2)c(C#N)c1=O	ZINC001363736591	929531463	/nfs/dbraw/zinc/53/14/63/929531463.db2.gz	GOJMHBCGXVIVAW-UHFFFAOYSA-N	-1	0	289.316	0.589	20	30		CCEDRM
CCn1ncnc1COC(=O)[C@@](C)(C#N)CC(=O)[O-]	ZINC001610887592	970773783	/nfs/dbraw/zinc/77/37/83/970773783.db2.gz	DSUGIIITSUVAQA-LLVKDONJSA-N	-1	0	266.257	0.346	20	30		CCEDRM
COC[C@]1(C)CCN(C(=O)[C@](C)(C#N)CC(=O)[O-])C1	ZINC001610994583	970838619	/nfs/dbraw/zinc/83/86/19/970838619.db2.gz	JNCJHTAHZASFKX-OLZOCXBDSA-N	-1	0	268.313	0.876	20	30		CCEDRM
N#C[C@@]1(F)CCN(C(=O)c2cnc(C(=O)[O-])cn2)C1	ZINC001601057254	970924167	/nfs/dbraw/zinc/92/41/67/970924167.db2.gz	QHACKZXWFOIKBE-NSHDSACASA-N	-1	0	264.216	0.253	20	30		CCEDRM
Cn1ncc(Br)c1C=NNCCC(=O)[O-]	ZINC001611286403	970975108	/nfs/dbraw/zinc/97/51/08/970975108.db2.gz	WYUNHVUVJZQCPG-UHFFFAOYSA-N	-1	0	275.106	0.581	20	30		CCEDRM
N#Cc1cccnc1-n1cc(NC(=O)NCC(=O)[O-])cn1	ZINC001611299809	970983786	/nfs/dbraw/zinc/98/37/86/970983786.db2.gz	ZJCQWLBBPMMNGN-UHFFFAOYSA-N	-1	0	286.251	0.345	20	30		CCEDRM
NS(=O)(=O)c1ccc(N=NCCCCC(=O)[O-])nc1	ZINC001611313753	970989388	/nfs/dbraw/zinc/98/93/88/970989388.db2.gz	PMFSOZUVDXDIMN-UHFFFAOYSA-N	-1	0	286.313	0.382	20	30		CCEDRM
C#CC1(O)CCN(C(=O)Nc2cccnc2C(=O)[O-])CC1	ZINC001602672347	971237215	/nfs/dbraw/zinc/23/72/15/971237215.db2.gz	LCGXTGVQPRNEDF-UHFFFAOYSA-N	-1	0	289.291	0.772	20	30		CCEDRM
C#C[C@H]1COCCN1C(=O)c1cccc(C(=O)[O-])c1	ZINC001602675279	971247508	/nfs/dbraw/zinc/24/75/08/971247508.db2.gz	OODCDLJHCSRVSV-LBPRGKRZSA-N	-1	0	259.261	0.859	20	30		CCEDRM
C#C[C@@H]1CCCN(CN2C[C@H](C(=O)[O-])CC2=O)C1	ZINC001602675353	971247776	/nfs/dbraw/zinc/24/77/76/971247776.db2.gz	RUVLQVJXNMEGKG-GHMZBOCLSA-N	-1	0	250.298	0.222	20	30		CCEDRM
C#CCCOC(=O)N[C@@H](Cc1ccncc1)C(=O)[O-]	ZINC001602675704	971252689	/nfs/dbraw/zinc/25/26/89/971252689.db2.gz	JXCPKBZLEZAVKP-NSHDSACASA-N	-1	0	262.265	0.827	20	30		CCEDRM
C#CCN(CC(=O)[O-])C(=O)C(=O)Nc1ccc(C#C)cc1	ZINC001602679871	971262444	/nfs/dbraw/zinc/26/24/44/971262444.db2.gz	YEKLEOHHFYVOIM-UHFFFAOYSA-N	-1	0	284.271	0.153	20	30		CCEDRM
C#CCN(CC(=O)[O-])C(=O)[C@H]1CCOC2(CCC2)C1	ZINC001602682244	971266909	/nfs/dbraw/zinc/26/69/09/971266909.db2.gz	KAWACSCIFAGFSR-NSHDSACASA-N	-1	0	265.309	0.882	20	30		CCEDRM
C#CCN(CC(=O)[O-])C(=O)N[C@@H]1C[C@@H](C)n2ncnc21	ZINC001602683540	971273189	/nfs/dbraw/zinc/27/31/89/971273189.db2.gz	FAYQDOCKSWYMPQ-RKDXNWHRSA-N	-1	0	277.284	0.013	20	30		CCEDRM
C#CCN(CC(=O)[O-])C(=O)NCCc1c(C)nn(C)c1C	ZINC001602685815	971283245	/nfs/dbraw/zinc/28/32/45/971283245.db2.gz	GJAFVVRJSSLSKD-UHFFFAOYSA-N	-1	0	292.339	0.309	20	30		CCEDRM
C#CCN(CC(=O)[O-])C(=O)Nc1nc2c(s1)COCC2	ZINC001602688327	971289979	/nfs/dbraw/zinc/28/99/79/971289979.db2.gz	JVIVQMWNIBQVAC-UHFFFAOYSA-N	-1	0	295.320	0.768	20	30		CCEDRM
C#CCN(CC(=O)[O-])C(=O)N[C@H]1C[C@@H](OCC)C1	ZINC001602688918	971293218	/nfs/dbraw/zinc/29/32/18/971293218.db2.gz	ZJSKALMSFXWNCR-AOOOYVTPSA-N	-1	0	254.286	0.283	20	30		CCEDRM
C#CCN(CC(=O)[O-])c1nnnn1C[C@H]1CCC[C@H](C)O1	ZINC001602700837	971322893	/nfs/dbraw/zinc/32/28/93/971322893.db2.gz	LICGGUVUJVKSEM-WDEREUQCSA-N	-1	0	293.327	0.155	20	30		CCEDRM
C#CCN(CC(=O)[O-])c1nnc([C@H](O)CCSC)n1C	ZINC001602700918	971323577	/nfs/dbraw/zinc/32/35/77/971323577.db2.gz	OBBDJEDMBKQEMQ-SECBINFHSA-N	-1	0	298.368	0.126	20	30		CCEDRM
C#CCN(CC(=O)[O-])c1nnnn1[C@H]1CCS[C@@H]1C	ZINC001602700909	971323911	/nfs/dbraw/zinc/32/39/11/971323911.db2.gz	NQBZGSGMDYQHKA-BDAKNGLRSA-N	-1	0	281.341	0.264	20	30		CCEDRM
C#CCN(CC(=O)[O-])c1nnc([C@H]2C[C@H]2C)n1CCOC	ZINC001602701163	971327745	/nfs/dbraw/zinc/32/77/45/971327745.db2.gz	ZMXPJQNTVZRUIU-MNOVXSKESA-N	-1	0	292.339	0.572	20	30		CCEDRM
C=C(C)C[C@@H](C)C(=O)N1CCS(=O)(=O)C[C@H]1C(=O)[O-]	ZINC001602706837	971339528	/nfs/dbraw/zinc/33/95/28/971339528.db2.gz	BSTMGBRIYAJMHZ-ZJUUUORDSA-N	-1	0	289.353	0.299	20	30		CCEDRM
C=C[C@H](C(=O)NC[C@](C)(O)C(=O)[O-])c1ccccc1	ZINC001602713119	971360511	/nfs/dbraw/zinc/36/05/11/971360511.db2.gz	MDPMNQDPDZZTRG-FZMZJTMJSA-N	-1	0	263.293	0.908	20	30		CCEDRM
C=C[C@](C)(O)CC(=O)N1C[C@@H](C)C[C@H](C(=O)[O-])C1	ZINC001602717172	971364173	/nfs/dbraw/zinc/36/41/73/971364173.db2.gz	BZRVAOLYLPVGKH-KWBADKCTSA-N	-1	0	255.314	0.883	20	30		CCEDRM
C=CC[C@H](C)NC(=O)[C@H]1CCCN(CC(=O)[O-])C1=O	ZINC001602718169	971373128	/nfs/dbraw/zinc/37/31/28/971373128.db2.gz	FCZCRGXCISWLEV-VHSXEESVSA-N	-1	0	268.313	0.390	20	30		CCEDRM
C=CCC1(O)CN(C(=O)C2(CC(=O)[O-])CCOCC2)C1	ZINC001602718691	971375923	/nfs/dbraw/zinc/37/59/23/971375923.db2.gz	SDSBEDMDSJZJFT-UHFFFAOYSA-N	-1	0	283.324	0.407	20	30		CCEDRM
C=CCN(CCOC)C(=O)c1cc(C(=O)[O-])n[nH]1	ZINC001602722599	971386856	/nfs/dbraw/zinc/38/68/56/971386856.db2.gz	AISIGXQWHIYJCN-UHFFFAOYSA-N	-1	0	253.258	0.383	20	30		CCEDRM
C=CCN1CC[C@H](N([C@@H](C)C(=O)[O-])C2CC2)C1=O	ZINC001602722679	971388221	/nfs/dbraw/zinc/38/82/21/971388221.db2.gz	GCMSOZNYWJLXKL-ONGXEEELSA-N	-1	0	252.314	0.711	20	30		CCEDRM
C=CCN1CC[C@@H](N(C)C(=O)CCCCC(=O)[O-])C1=O	ZINC001602722765	971389361	/nfs/dbraw/zinc/38/93/61/971389361.db2.gz	NHXNMFVYVSONMZ-LLVKDONJSA-N	-1	0	282.340	0.877	20	30		CCEDRM
C=CCN1CC(=O)N(CC2(C(=O)[O-])CCC2)C1=O	ZINC001602722865	971390371	/nfs/dbraw/zinc/39/03/71/971390371.db2.gz	WDPYPPNCUPDVMW-UHFFFAOYSA-N	-1	0	252.270	0.692	20	30		CCEDRM
C=CCn1cnn(CN2CC[C@H](C(=O)[O-])C2)c1=S	ZINC001602730911	971410481	/nfs/dbraw/zinc/41/04/81/971410481.db2.gz	KELVGGPHATXSLN-VIFPVBQESA-N	-1	0	268.342	0.964	20	30		CCEDRM
C=CCn1nnn(CN2C[C@H](C)C[C@H](C(=O)[O-])C2)c1=S	ZINC001602731206	971412351	/nfs/dbraw/zinc/41/23/51/971412351.db2.gz	YCZKJOQPGGYZPK-ZJUUUORDSA-N	-1	0	297.384	0.995	20	30		CCEDRM
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C#CCC1(NC(=O)[C@H]2CC[C@H]2C(=O)[O-])CCOCC1	ZINC001588392122	958030681	/nfs/dbraw/zinc/03/06/81/958030681.db2.gz	SRKQGIKDAHREGV-WDEREUQCSA-N	-1	0	265.309	0.786	20	30		CCEDRM
C#CCN(C(=O)C(=O)N1CCC[C@@H](C(=O)[O-])C1)C(C)C	ZINC001588396583	958051071	/nfs/dbraw/zinc/05/10/71/958051071.db2.gz	VNCSYUSMYNNWMO-LLVKDONJSA-N	-1	0	280.324	0.180	20	30		CCEDRM
C#CCN(CC(=O)[O-])C(=O)CCc1nnc(C(C)C)o1	ZINC001588402367	958092206	/nfs/dbraw/zinc/09/22/06/958092206.db2.gz	SCJQPHVJAPXYBM-UHFFFAOYSA-N	-1	0	279.296	0.672	20	30		CCEDRM
C#CCN(CC(=O)[O-])C(=O)NCC#Cc1ccccc1	ZINC001588409743	958131243	/nfs/dbraw/zinc/13/12/43/958131243.db2.gz	JCJMGGUJNPNJQV-UHFFFAOYSA-N	-1	0	270.288	0.768	20	30		CCEDRM
C#CCN(CC(=O)[O-])C(=O)N[C@H]1C[C@H](OCC)C1	ZINC001588411413	958150694	/nfs/dbraw/zinc/15/06/94/958150694.db2.gz	ZJSKALMSFXWNCR-MGCOHNPYSA-N	-1	0	254.286	0.283	20	30		CCEDRM
C#CCN(CC(=O)[O-])C(=O)c1ccc(NC(=O)NC)cc1	ZINC001588415985	958161554	/nfs/dbraw/zinc/16/15/54/958161554.db2.gz	DYINOXBQHFTPAA-UHFFFAOYSA-N	-1	0	289.291	0.598	20	30		CCEDRM
C#CCN(CC(=O)[O-])C(=O)c1c[nH]c(Br)c1	ZINC001588417510	958174543	/nfs/dbraw/zinc/17/45/43/958174543.db2.gz	SDUINIWTKDNUJH-UHFFFAOYSA-N	-1	0	285.097	0.937	20	30		CCEDRM
C#CCN(CC(=O)[O-])C(=O)c1ccc(OCCOC)cc1	ZINC001588419063	958191341	/nfs/dbraw/zinc/19/13/41/958191341.db2.gz	ORHQAZJDLMGNLQ-UHFFFAOYSA-N	-1	0	291.303	0.872	20	30		CCEDRM
C#CCN(CC(=O)[O-])Cc1ccc(C#N)cc1[N+](=O)[O-]	ZINC001588423649	958208138	/nfs/dbraw/zinc/20/81/38/958208138.db2.gz	BFCVXPMFQLOYAW-UHFFFAOYSA-N	-1	0	273.248	0.986	20	30		CCEDRM
C#CCN(CC(=O)[O-])c1nnc(C2=NC(=O)SC2)n1C	ZINC001588426473	958229364	/nfs/dbraw/zinc/22/93/64/958229364.db2.gz	MHCRELMAJDNZIM-UHFFFAOYSA-N	-1	0	293.308	0.168	20	30		CCEDRM
C#CCN(CC(=O)[O-])S(=O)(=O)c1cc(OC)ccc1O	ZINC001588426705	958231971	/nfs/dbraw/zinc/23/19/71/958231971.db2.gz	ZNCUHBBQOATMKU-UHFFFAOYSA-N	-1	0	299.304	0.109	20	30		CCEDRM
C#CCN(CC(=O)[O-])c1nnnn1[C@@H]1COC2(CCC2)C1	ZINC001588426775	958234384	/nfs/dbraw/zinc/23/43/84/958234384.db2.gz	BMWGNGOAAFRYRE-JTQLQIEISA-N	-1	0	291.311	0.081	20	30		CCEDRM
C#CCN(CC(=O)[O-])c1nnc([C@@H]2CCOC2)n1CC	ZINC001588426933	958236371	/nfs/dbraw/zinc/23/63/71/958236371.db2.gz	HIGYOIQYCKFUCC-SNVBAGLBSA-N	-1	0	278.312	0.326	20	30		CCEDRM
C#CCN(CC(=O)[O-])c1nnnn1[C@H]1C[C@H](SC)C1	ZINC001588427450	958245435	/nfs/dbraw/zinc/24/54/35/958245435.db2.gz	YGJQTBCHADMVGR-KYZUINATSA-N	-1	0	281.341	0.264	20	30		CCEDRM
C#CCN1CCC[C@H](NC(=O)N(C)CCC(=O)[O-])C1	ZINC001588430582	958257297	/nfs/dbraw/zinc/25/72/97/958257297.db2.gz	NZFJESBDWPCXMZ-NSHDSACASA-N	-1	0	267.329	0.200	20	30		CCEDRM
C#CCN1CCN(C(=O)[C@]2(C(=O)[O-])CC=CCC2)CC1	ZINC001588430597	958257607	/nfs/dbraw/zinc/25/76/07/958257607.db2.gz	OGJPEJHBMIZQLB-HNNXBMFYSA-N	-1	0	276.336	0.575	20	30		CCEDRM
C#CCN1CCCN(C(=O)C2(C(=O)[O-])CCOCC2)CC1	ZINC001588430808	958259967	/nfs/dbraw/zinc/25/99/67/958259967.db2.gz	OZCDTSNWPUPSJX-UHFFFAOYSA-N	-1	0	294.351	0.035	20	30		CCEDRM
C#CCN1CCC[C@H](NC(=O)NC[C@@H](C)C(=O)[O-])C1	ZINC001588431530	958270666	/nfs/dbraw/zinc/27/06/66/958270666.db2.gz	ZWEBMBWKVFQOCH-MNOVXSKESA-N	-1	0	267.329	0.104	20	30		CCEDRM
C#CCOc1ccc(COC(=O)COCC(=O)[O-])cc1	ZINC001588433404	958295657	/nfs/dbraw/zinc/29/56/57/958295657.db2.gz	MEWSARPDFILQFR-UHFFFAOYSA-N	-1	0	278.260	0.843	20	30		CCEDRM
C=C(C)C[C@H](NC(=O)c1cc(C(=O)[O-])n[nH]1)C(=O)OC	ZINC001588442562	958346378	/nfs/dbraw/zinc/34/63/78/958346378.db2.gz	SHESXAQTAREFKI-VIFPVBQESA-N	-1	0	281.268	0.346	20	30		CCEDRM
C=C(CCC(=O)OC)C(=O)NC[C@@H](CC)C(=O)[O-]	ZINC001588444791	958366115	/nfs/dbraw/zinc/36/61/15/958366115.db2.gz	RVPGBCFURCYGGN-SECBINFHSA-N	-1	0	257.286	0.723	20	30		CCEDRM
C=C[C@@H](COC)NC(=O)C1(C(=O)[O-])CCOCC1	ZINC001588450787	958398418	/nfs/dbraw/zinc/39/84/18/958398418.db2.gz	BTTIGYNTVLZNDK-VIFPVBQESA-N	-1	0	257.286	0.185	20	30		CCEDRM
C=C[C@H](COC)NC(=O)C(=O)Nc1ccccc1C(=O)[O-]	ZINC001588450920	958401354	/nfs/dbraw/zinc/40/13/54/958401354.db2.gz	HRHACXNWPKPTFN-SECBINFHSA-N	-1	0	292.291	0.641	20	30		CCEDRM
C=CC[C@@H](CO)CNC(=O)[C@H]1CC[C@@H](C(=O)[O-])C1	ZINC001588453149	958431292	/nfs/dbraw/zinc/43/12/92/958431292.db2.gz	PUKQYMZFVJUHLD-OUAUKWLOSA-N	-1	0	255.314	0.788	20	30		CCEDRM
C=CCC[C@H](CO)NC(=O)[C@@]1(C(=O)[O-])CC1(C)C	ZINC001588457266	958448225	/nfs/dbraw/zinc/44/82/25/958448225.db2.gz	SDUCHJGJEQMJPY-NOZJJQNGSA-N	-1	0	255.314	0.931	20	30		CCEDRM
C=CC[C@@H](NC(=O)[C@]1(C(=O)[O-])C[C@H]1C)C(=O)OCC	ZINC001588457996	958457081	/nfs/dbraw/zinc/45/70/81/958457081.db2.gz	OGVMHTBZGSZGOM-KKFJDGPESA-N	-1	0	269.297	0.721	20	30		CCEDRM
C=CCCO[C@@H](C)C(=O)N(CCC(=O)OC)CC(=O)[O-]	ZINC001588459983	958471311	/nfs/dbraw/zinc/47/13/11/958471311.db2.gz	PNGOSMHVIIYNDC-JTQLQIEISA-N	-1	0	287.312	0.444	20	30		CCEDRM
C=CCCCNC(=O)N1C[C@H]2COC[C@@]2(C(=O)[O-])C1	ZINC001588460007	958471518	/nfs/dbraw/zinc/47/15/18/958471518.db2.gz	RHLBXEWRHYAHTH-GWCFXTLKSA-N	-1	0	268.313	0.695	20	30		CCEDRM
C=CCN(CC=C)C(=O)C(=O)N(C)C[C@H](C)C(=O)[O-]	ZINC001588463342	958482932	/nfs/dbraw/zinc/48/29/32/958482932.db2.gz	NGIDRCRNBUMXJT-JTQLQIEISA-N	-1	0	268.313	0.366	20	30		CCEDRM
C=CCN1CC[C@H](N(C)C(=O)[C@@]2(C(=O)[O-])CC2(C)C)C1=O	ZINC001588464290	958490039	/nfs/dbraw/zinc/49/00/39/958490039.db2.gz	NDNHDHQOKZRQDM-ZUZCIYMTSA-N	-1	0	294.351	0.733	20	30		CCEDRM
C=CCNC(=O)NC(=O)COC(=O)C1(CC(=O)[O-])CCC1	ZINC001588465604	958506601	/nfs/dbraw/zinc/50/66/01/958506601.db2.gz	VOSOSOYTJSONSK-UHFFFAOYSA-N	-1	0	298.295	0.186	20	30		CCEDRM
C=CCNC(=O)C[S@@](=O)Cc1ccc(C(=O)[O-])cc1	ZINC001588465563	958506776	/nfs/dbraw/zinc/50/67/76/958506776.db2.gz	SULVFSSDYODZEX-IBGZPJMESA-N	-1	0	281.333	0.936	20	30		CCEDRM
C=CCN1CC[C@H](OC(=O)[C@H](C(=O)[O-])C2CC2)C1=O	ZINC001588465651	958507358	/nfs/dbraw/zinc/50/73/58/958507358.db2.gz	VYXZHZUFJDGOTC-UWVGGRQHSA-N	-1	0	267.281	0.427	20	30		CCEDRM
C=CCn1c([C@H](O)C2CC2)nnc1N1CC[C@H](C(=O)[O-])C1	ZINC001588470366	958525205	/nfs/dbraw/zinc/52/52/05/958525205.db2.gz	LCPRJEDBKADEML-WDEREUQCSA-N	-1	0	292.339	0.818	20	30		CCEDRM
C#CCNC(=O)CN1CCc2c(cccc2C(=O)[O-])C1	ZINC000124536271	958533643	/nfs/dbraw/zinc/53/36/43/958533643.db2.gz	IIRKZUOFQHAOAP-UHFFFAOYSA-N	-1	0	272.304	0.492	20	30		CCEDRM
C=CCn1c(CCO)nnc1N1CCC[C@H](C(=O)[O-])C1	ZINC001588472573	958545064	/nfs/dbraw/zinc/54/50/64/958545064.db2.gz	PFZGTGRIAUDMDZ-JTQLQIEISA-N	-1	0	280.328	0.300	20	30		CCEDRM
C=CCn1c(N2CC[C@H](C(=O)[O-])C2)nnc1[C@@](C)(O)CC	ZINC001588472980	958548830	/nfs/dbraw/zinc/54/88/30/958548830.db2.gz	VICGQJOBFVGIQV-HZMBPMFUSA-N	-1	0	294.355	0.993	20	30		CCEDRM
C=CCn1cc(CN2CCCC[C@H]2C(=O)[O-])nn1	ZINC001588474733	958558295	/nfs/dbraw/zinc/55/82/95/958558295.db2.gz	NZOPZTXUWFSRHJ-NSHDSACASA-N	-1	0	250.302	0.903	20	30		CCEDRM
C[C@@](C#N)(CC(=O)[O-])C(=O)NCCCOCC1CC1	ZINC001573362352	958597845	/nfs/dbraw/zinc/59/78/45/958597845.db2.gz	AEDLOUSLTXBIIV-ZDUSSCGKSA-N	-1	0	268.313	0.924	20	30		CCEDRM
C[C@@](C#N)(CC(=O)[O-])C(=O)NCc1noc2c1COCC2	ZINC001573362542	958600355	/nfs/dbraw/zinc/60/03/55/958600355.db2.gz	DBJCZLQRRISIHP-ZDUSSCGKSA-N	-1	0	293.279	0.368	20	30		CCEDRM
Cc1cccc(N=NC(C)c2cn(CC(=O)[O-])nn2)n1	ZINC001588486122	958609977	/nfs/dbraw/zinc/60/99/77/958609977.db2.gz	RQAYHOUOBWGMQE-UHFFFAOYSA-N	-1	0	274.284	0.902	20	30		CCEDRM
C[C@@](C#N)(CC(=O)[O-])C(=O)Nc1cnc2ccnn2c1	ZINC001573364861	958617431	/nfs/dbraw/zinc/61/74/31/958617431.db2.gz	REHNQQRHMGCKGK-LBPRGKRZSA-N	-1	0	273.252	0.672	20	30		CCEDRM
CC(C)(C#N)CC(=O)N1C[C@H]2COC[C@@]2(C(=O)[O-])C1	ZINC001573381078	958661296	/nfs/dbraw/zinc/66/12/96/958661296.db2.gz	BOUYEPZOVKMNAZ-ZANVPECISA-N	-1	0	266.297	0.486	20	30		CCEDRM
Cc1cccc([C@@H](NC(=O)Cn2cnc(C#N)n2)C(=O)[O-])c1	ZINC001594395464	958766219	/nfs/dbraw/zinc/76/62/19/958766219.db2.gz	ANAHVDJDVLZSQQ-CYBMUJFWSA-N	-1	0	299.290	0.400	20	30		CCEDRM
C[C@](C#N)(CC(=O)[O-])C(=O)N1CCn2cncc2C1	ZINC001588538865	958945594	/nfs/dbraw/zinc/94/55/94/958945594.db2.gz	OWIONZGVWVEYEM-GFCCVEGCSA-N	-1	0	262.269	0.230	20	30		CCEDRM
C[C@](C#N)(CC(=O)[O-])C(=O)N[C@H]1CCn2cncc2C1	ZINC001588538819	958945711	/nfs/dbraw/zinc/94/57/11/958945711.db2.gz	OAHZXHGXMGVXKF-TVQRCGJNSA-N	-1	0	276.296	0.319	20	30		CCEDRM
C[C@@](C#N)(CC(=O)[O-])C(=O)OCc1ccnc(N)c1	ZINC001588543258	958977864	/nfs/dbraw/zinc/97/78/64/958977864.db2.gz	JMZJGASFJSKKDF-LBPRGKRZSA-N	-1	0	263.253	0.712	20	30		CCEDRM
C#CC[C@@H](NC(=O)COc1ccc([N+](=O)[O-])cc1)C(=O)[O-]	ZINC000149732741	959026027	/nfs/dbraw/zinc/02/60/27/959026027.db2.gz	LABYHDDBCYRWIS-LLVKDONJSA-N	-1	0	292.247	0.566	20	30		CCEDRM
C[C@H](C(=O)N[C@@H]1CC[C@H](C(=O)[O-])C1)n1cnc(C#N)n1	ZINC001588556417	959056412	/nfs/dbraw/zinc/05/64/12/959056412.db2.gz	FQCHHFCUKKIBOK-HRDYMLBCSA-N	-1	0	277.284	0.080	20	30		CCEDRM
CC(C)C[C@@H](C)Cn1c(=O)c(C#N)cn(CC(=O)[O-])c1=O	ZINC001573509408	959081777	/nfs/dbraw/zinc/08/17/77/959081777.db2.gz	HFNQMEOLINTAJM-SNVBAGLBSA-N	-1	0	293.323	0.648	20	30		CCEDRM
C#CC[C@H](NS(=O)(=O)c1ccc(C(C)=O)cc1)C(=O)[O-]	ZINC000159570966	959118310	/nfs/dbraw/zinc/11/83/10/959118310.db2.gz	GQWYIJGQVIPACG-LBPRGKRZSA-N	-1	0	295.316	0.644	20	30		CCEDRM
C[C@H](C(=O)[O-])C(=O)N1CCN(c2cnccc2C#N)CC1	ZINC001588564766	959126937	/nfs/dbraw/zinc/12/69/37/959126937.db2.gz	BVYOHLDJABPOAK-JTQLQIEISA-N	-1	0	288.307	0.323	20	30		CCEDRM
C#CC[C@H](NS(=O)(=O)c1cccc(F)c1)C(=O)[O-]	ZINC000161264097	959179980	/nfs/dbraw/zinc/17/99/80/959179980.db2.gz	VLPNDAHBGPBRLA-JTQLQIEISA-N	-1	0	271.269	0.581	20	30		CCEDRM
C[C@@H]1C[C@@]1(C(=O)[O-])C(=O)OCC1(CC#N)COC1	ZINC001594231001	959469768	/nfs/dbraw/zinc/46/97/68/959469768.db2.gz	KOBJJLCXQLFZBS-PRHODGIISA-N	-1	0	253.254	0.571	20	30		CCEDRM
C[C@H](NC(=O)C(=O)/C=C/c1ccc(F)cc1)C(=O)[O-]	ZINC001594233271	959489117	/nfs/dbraw/zinc/48/91/17/959489117.db2.gz	UQWSCPHHKRMBAH-IPWDFOCMSA-N	-1	0	265.240	0.997	20	30		CCEDRM
Cc1[nH]c(C#N)cc1C(=O)N1CCO[C@H](C(=O)[O-])C1	ZINC001594248172	959600181	/nfs/dbraw/zinc/60/01/81/959600181.db2.gz	WRJILXGKCSWERM-JTQLQIEISA-N	-1	0	263.253	0.120	20	30		CCEDRM
C[C@@H]1CC[C@H](C(=O)[O-])CN1c1cnc(C#N)c(C#N)n1	ZINC001573713041	959861361	/nfs/dbraw/zinc/86/13/61/959861361.db2.gz	WVJKUEMJCACCCD-BDAKNGLRSA-N	-1	0	271.280	0.909	20	30		CCEDRM
C[C@@H]1CCC[C@@](C#N)(NC(=O)c2cn(CC(=O)[O-])nn2)C1	ZINC001573716661	959875544	/nfs/dbraw/zinc/87/55/44/959875544.db2.gz	WBOPLLVXYUHZFP-NOZJJQNGSA-N	-1	0	291.311	0.565	20	30		CCEDRM
CC(=O)N[C@@H](C[S@](=O)Cc1ccccc1C#N)C(=O)[O-]	ZINC000232452371	960276409	/nfs/dbraw/zinc/27/64/09/960276409.db2.gz	AXROPOKFNXIMLQ-FKIZINRSSA-N	-1	0	294.332	0.396	20	30		CCEDRM
C#CCCCCC(=O)NC1(C(=O)[O-])CCOCC1	ZINC000236411248	960563638	/nfs/dbraw/zinc/56/36/38/960563638.db2.gz	OWQZZRAOPFSMFX-UHFFFAOYSA-N	-1	0	253.298	0.930	20	30		CCEDRM
C[C@@H]1C[C@@]1(C(=O)[O-])C(=O)NC1CCN(CC#N)CC1	ZINC001574280838	960641362	/nfs/dbraw/zinc/64/13/62/960641362.db2.gz	RTLVHBDMKQQDIJ-RNCFNFMXSA-N	-1	0	265.313	0.201	20	30		CCEDRM
N#CC[C@@]1(O)CCN(C(=O)N[C@@H]2CCC[C@H]2CC(=O)[O-])C1	ZINC001571056083	960730576	/nfs/dbraw/zinc/73/05/76/960730576.db2.gz	PKSPIJSAOVTRKT-MISXGVKJSA-N	-1	0	295.339	0.690	20	30		CCEDRM
CO[C@@H]1CC[C@H](NC(=O)N2CCC(C#N)(C(=O)[O-])CC2)C1	ZINC001571056418	960733465	/nfs/dbraw/zinc/73/34/65/960733465.db2.gz	VDKPIIJQXXRZES-WDEREUQCSA-N	-1	0	295.339	0.954	20	30		CCEDRM
CC1(C#N)CCN(S(=O)(=O)c2cc(C(=O)[O-])[nH]n2)CC1	ZINC001571065871	960821210	/nfs/dbraw/zinc/82/12/10/960821210.db2.gz	BYAGYXQWBUJMFY-UHFFFAOYSA-N	-1	0	298.324	0.422	20	30		CCEDRM
Cn1nc(C(=O)[O-])cc1C(=O)Nc1cc(CC#N)ccn1	ZINC001574467164	961580662	/nfs/dbraw/zinc/58/06/62/961580662.db2.gz	UAUBDKGENBZENF-UHFFFAOYSA-N	-1	0	285.263	0.832	20	30		CCEDRM
N#CCC1(CNC(=O)[C@H]2CC(C(=O)[O-])=NO2)CC1	ZINC001574480563	961664340	/nfs/dbraw/zinc/66/43/40/961664340.db2.gz	LTRDMLVFLHJYFB-MRVPVSSYSA-N	-1	0	251.242	0.026	20	30		CCEDRM
N#Cc1ccc(NCC(=O)N2CCC[C@H]2C(=O)[O-])nc1	ZINC001574488141	961692605	/nfs/dbraw/zinc/69/26/05/961692605.db2.gz	LDQGLTXZQAUWLN-JTQLQIEISA-N	-1	0	274.280	0.441	20	30		CCEDRM
N#Cc1cccc(NC(=O)N[C@H]2C[C@@H](C(=O)[O-])C2)n1	ZINC001574490268	961713361	/nfs/dbraw/zinc/71/33/61/961713361.db2.gz	ZIVXGLVWDSILSL-OTSSQURYSA-N	-1	0	260.253	0.938	20	30		CCEDRM
N#Cc1c[nH]nc1NC(=O)[C@H]1CO[C@H](CCC(=O)[O-])C1	ZINC001574493440	961718968	/nfs/dbraw/zinc/71/89/68/961718968.db2.gz	MCAATFUDNWMEEQ-VXNVDRBHSA-N	-1	0	278.268	0.490	20	30		CCEDRM
COC(=O)c1nccc(NC(=O)[C@](C)(C#N)CC(=O)[O-])n1	ZINC001574097910	962382558	/nfs/dbraw/zinc/38/25/58/962382558.db2.gz	UWFSAEBYVDCRNT-LBPRGKRZSA-N	-1	0	292.251	0.206	20	30		CCEDRM
CO[C@H](C(=O)[O-])C(=O)Nc1nc(Cl)c(C#N)s1	ZINC001574105336	962433011	/nfs/dbraw/zinc/43/30/11/962433011.db2.gz	PLGPPIGVQHWNSQ-BYPYZUCNSA-N	-1	0	275.673	0.706	20	30		CCEDRM
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COCCN(CCC#N)C(=O)c1ccc(C(=O)[O-])[nH]1	ZINC000311764694	963509595	/nfs/dbraw/zinc/50/95/95/963509595.db2.gz	FOFUNSJZASNZEV-UHFFFAOYSA-N	-1	0	265.269	0.715	20	30		CCEDRM
C=C(C)CN(C)S(=O)(=O)c1cc(C(=O)[O-])no1	ZINC000315993635	963962469	/nfs/dbraw/zinc/96/24/69/963962469.db2.gz	PYHZDXBFASDQQY-UHFFFAOYSA-N	-1	0	260.271	0.569	20	30		CCEDRM
C=C1CCN(S(=O)(=O)c2cc(C(=O)[O-])no2)CC1	ZINC000315994553	963962721	/nfs/dbraw/zinc/96/27/21/963962721.db2.gz	QDMCVCPWSJUPSZ-UHFFFAOYSA-N	-1	0	272.282	0.714	20	30		CCEDRM
C#CCC[C@@H](O)CNC(=O)N[C@H]1C[C@@H]2C[C@]2(C(=O)[O-])C1	ZINC001588435357	964021109	/nfs/dbraw/zinc/02/11/09/964021109.db2.gz	NBTQKICWKCQESN-DEKYYXRVSA-N	-1	0	280.324	0.313	20	30		CCEDRM
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C#CCCCNC(=O)Cn1cccc(C(=O)[O-])c1=O	ZINC001588446316	964070573	/nfs/dbraw/zinc/07/05/73/964070573.db2.gz	HCAVTSJOCSTBCB-UHFFFAOYSA-N	-1	0	262.265	0.076	20	30		CCEDRM
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C=C(C)CNC(=O)C(=O)Nc1cccc(CC(=O)[O-])c1	ZINC001609626317	970428016	/nfs/dbraw/zinc/42/80/16/970428016.db2.gz	SEKXRRZXJSXKEN-UHFFFAOYSA-N	-1	0	276.292	0.945	20	30		CCEDRM
C[C@@](C#N)(CC(=O)[O-])C(=O)N[C@@H]1CCOC1(C)C	ZINC001609692908	970451024	/nfs/dbraw/zinc/45/10/24/970451024.db2.gz	DXXRIOPUFYPXCX-PELKAZGASA-N	-1	0	254.286	0.675	20	30		CCEDRM
CCc1ccc(C#CC(=O)NC[C@@](C)(O)C(=O)[O-])cc1	ZINC001610060397	970650222	/nfs/dbraw/zinc/65/02/22/970650222.db2.gz	POYHXIUZKLKCMB-OAHLLOKOSA-N	-1	0	275.304	0.552	20	30		CCEDRM
CC[C@H](NC(=O)[C@](C)(C#N)CC(=O)[O-])[C@@H](O)C(C)C	ZINC001610132630	970678931	/nfs/dbraw/zinc/67/89/31/970678931.db2.gz	BOVLRHHJPNDXQZ-GAFUQQFSSA-N	-1	0	270.329	0.903	20	30		CCEDRM
CCOC1CC(O)(CNC(=O)[C@@](C)(C#N)CC(=O)[O-])C1	ZINC001610341947	970726390	/nfs/dbraw/zinc/72/63/90/970726390.db2.gz	LBUHPDQXSQTVNT-BKDHPRRPSA-N	-1	0	284.312	0.037	20	30		CCEDRM
CC1(C)C[C@@]1(C#N)NC(=O)[C@H]1CC(C(=O)[O-])=NO1	ZINC001603322060	972647991	/nfs/dbraw/zinc/64/79/91/972647991.db2.gz	GDZRAAXGNQSBDP-HQJQHLMTSA-N	-1	0	251.242	0.024	20	30		CCEDRM
COCC#CCOC(=O)C1(C(=O)[O-])CCSCC1	ZINC001604505330	973434753	/nfs/dbraw/zinc/43/47/53/973434753.db2.gz	WHTAMYWJZQZLBX-UHFFFAOYSA-N	-1	0	272.322	0.777	20	30		CCEDRM
Cn1c(C#N)ccc1C(=O)N[C@@H]1CCC[C@@H]1C(=O)[O-]	ZINC001605467390	973574773	/nfs/dbraw/zinc/57/47/73/973574773.db2.gz	LPAPLRKBAZRXIS-VHSXEESVSA-N	-1	0	261.281	0.880	20	30		CCEDRM
Cc1ccc(C#N)c(N2C[C@H](O)C[C@H](C(=O)[O-])C2)n1	ZINC000401973178	973580638	/nfs/dbraw/zinc/58/06/38/973580638.db2.gz	PMWJNFWUELZKAC-WDEREUQCSA-N	-1	0	261.281	0.534	20	30		CCEDRM
COCCCN(CCOC)C(=O)[C@@](C)(C#N)CC(=O)[O-]	ZINC001604578378	973665329	/nfs/dbraw/zinc/66/53/29/973665329.db2.gz	HCIOAJVWEJUOEU-CYBMUJFWSA-N	-1	0	286.328	0.502	20	30		CCEDRM
N#Cc1cc(C(=O)N[C@H](Cc2ccncc2)C(=O)[O-])c[nH]1	ZINC001605591942	973890861	/nfs/dbraw/zinc/89/08/61/973890861.db2.gz	JPTHEQKJHFWUNR-GFCCVEGCSA-N	-1	0	284.275	0.707	20	30		CCEDRM
C[C@@H](CC#N)C(=O)N1CCC[C@@H](n2cc(C(=O)[O-])nn2)C1	ZINC001592210742	977256396	/nfs/dbraw/zinc/25/63/96/977256396.db2.gz	GKBYVKCPOLPSBH-VHSXEESVSA-N	-1	0	291.311	0.690	20	30		CCEDRM
C[C@H](CC#N)C(=O)N[C@@](C)(Cn1cccn1)C(=O)[O-]	ZINC001592211687	977263390	/nfs/dbraw/zinc/26/33/90/977263390.db2.gz	MNLATGRGCDUXMB-SKDRFNHKSA-N	-1	0	264.285	0.392	20	30		CCEDRM
C[C@H](CC#N)N(C)CC(=O)Nc1cccc(C(=O)[O-])n1	ZINC001592221979	977404036	/nfs/dbraw/zinc/40/40/36/977404036.db2.gz	QKUXGSQBXHVCAG-SECBINFHSA-N	-1	0	276.296	0.952	20	30		CCEDRM
C[C@H](CC(=O)[O-])CC(=O)N1CC[C@](O)(CC#N)C1	ZINC001592374697	977902914	/nfs/dbraw/zinc/90/29/14/977902914.db2.gz	DEGCSKJUHPGBOR-JOYOIKCWSA-N	-1	0	254.286	0.364	20	30		CCEDRM
CC[C@H](CC#N)OC(=O)CN1CCC[C@H](C(=O)[O-])C1=O	ZINC001595029562	979159519	/nfs/dbraw/zinc/15/95/19/979159519.db2.gz	CQHPNCREGFVGKF-ZJUUUORDSA-N	-1	0	282.296	0.545	20	30		CCEDRM
CC[C@H](CC#N)NS(=O)(=O)CC1(C(=O)[O-])CCC1	ZINC001595030601	979169037	/nfs/dbraw/zinc/16/90/37/979169037.db2.gz	TWOZUUDUPAOVQP-SECBINFHSA-N	-1	0	274.342	0.853	20	30		CCEDRM
C[C@@H](CO)N(C)N=C1CCCn2nc(C(=O)[O-])cc21	ZINC001592761984	979354692	/nfs/dbraw/zinc/35/46/92/979354692.db2.gz	MNXDNTQMSXWOLJ-QMMMGPOBSA-N	-1	0	266.301	0.392	20	30		CCEDRM
CC[C@@](COC)(NC(=O)c1ncc(C#N)cc1C)C(=O)[O-]	ZINC001595193102	979883522	/nfs/dbraw/zinc/88/35/22/979883522.db2.gz	CPDVTAMPNAJBRE-AWEZNQCLSA-N	-1	0	291.307	0.871	20	30		CCEDRM
CC[C@H](C(=O)[O-])C(=O)N1C[C@H](C)N(CC#N)[C@@H](C)C1	ZINC001594740267	981598578	/nfs/dbraw/zinc/59/85/78/981598578.db2.gz	JYOGTNHYNKYOOO-DCAQKATOSA-N	-1	0	267.329	0.542	20	30		CCEDRM
CC[C@@H](C(=O)[O-])C(=O)OCC(=O)N[C@](C)(C#N)C1CC1	ZINC001594766124	981720502	/nfs/dbraw/zinc/72/05/02/981720502.db2.gz	TZPRDMILALHZDS-TVQRCGJNSA-N	-1	0	282.296	0.449	20	30		CCEDRM
CC[C@@](C)(C#N)C(=O)O[C@@H](C)c1cn(CC(=O)[O-])nn1	ZINC001594777605	981768923	/nfs/dbraw/zinc/76/89/23/981768923.db2.gz	BVFZMPLQEKFJLX-UFBFGSQYSA-N	-1	0	280.284	0.907	20	30		CCEDRM
CC[C@](C)(C#N)C(=O)OCC(=O)NCCC(=O)[O-]	ZINC001594778446	981776706	/nfs/dbraw/zinc/77/67/06/981776706.db2.gz	RZECCDBQMWSKJY-LLVKDONJSA-N	-1	0	256.258	0.060	20	30		CCEDRM
CCC(C)(C)NC(=O)Cn1cc(C(=O)[O-])cc(C#N)c1=O	ZINC001594805759	981908557	/nfs/dbraw/zinc/90/85/57/981908557.db2.gz	CJJNHAVRUYNXMP-UHFFFAOYSA-N	-1	0	291.307	0.723	20	30		CCEDRM
CC[C@H](C)[C@@H](NC(=O)COC(=O)C#CC1CC1)C(=O)[O-]	ZINC001594898106	982346687	/nfs/dbraw/zinc/34/66/87/982346687.db2.gz	UGXOVVNMDLNBNT-TVQRCGJNSA-N	-1	0	281.308	0.559	20	30		CCEDRM
C#C[C@H](C)N(C)Cn1nc(C(=O)OC)cc1C(=O)[O-]	ZINC001588367744	983300994	/nfs/dbraw/zinc/30/09/94/983300994.db2.gz	BEBQCXFWTBESCX-QMMMGPOBSA-N	-1	0	265.269	0.279	20	30		CCEDRM
C#C[C@H](NC(=O)NC/C=C(/C)C(=O)[O-])[C@H]1CCCO1	ZINC001588372101	983328124	/nfs/dbraw/zinc/32/81/24/983328124.db2.gz	DDLZUKIEZFMONV-JDEZKBKISA-N	-1	0	266.297	0.497	20	30		CCEDRM
C#C[C@H](NC(=O)N1CCC[C@H]1CC(=O)[O-])[C@@H]1CCCO1	ZINC001588372296	983330027	/nfs/dbraw/zinc/33/00/27/983330027.db2.gz	HRCADVABUUUHOE-SRVKXCTJSA-N	-1	0	280.324	0.816	20	30		CCEDRM
C#C[C@@H](NC(=O)NCCn1cc(C(=O)[O-])nn1)C(C)(C)C	ZINC001588372680	983333159	/nfs/dbraw/zinc/33/31/59/983333159.db2.gz	QNBBEPWRCXLRGG-SNVBAGLBSA-N	-1	0	293.327	0.323	20	30		CCEDRM
C#C[C@H](NC(=O)N1C[C@@H](C)O[C@H](C(=O)[O-])C1)C(C)C	ZINC001588373063	983336328	/nfs/dbraw/zinc/33/63/28/983336328.db2.gz	ZEKFKKLERFQSII-VWYCJHECSA-N	-1	0	268.313	0.528	20	30		CCEDRM
C#CC1(NC(=O)Cn2cc(C(=O)[O-])nn2)CCCC1	ZINC001588379931	983366511	/nfs/dbraw/zinc/36/65/11/983366511.db2.gz	VVJAGMIVNVGEQA-UHFFFAOYSA-N	-1	0	262.269	0.039	20	30		CCEDRM
C#C[C@@H]1CCCCN1C(=O)C(=O)N[C@H]1CC=C(C(=O)[O-])C1	ZINC001588382480	983371766	/nfs/dbraw/zinc/37/17/66/983371766.db2.gz	PTGHQMZFCZSJKF-NWDGAFQWSA-N	-1	0	290.319	0.290	20	30		CCEDRM
C#C[C@H]1CCCN(C(=O)C(=O)N(C)[C@H]2C[C@@H](C(=O)[O-])C2)C1	ZINC001588382683	983373507	/nfs/dbraw/zinc/37/35/07/983373507.db2.gz	SOYNCQNIBJTWRQ-SDDRHHMPSA-N	-1	0	292.335	0.180	20	30		CCEDRM
C#CCC(C)(C)COC(=O)CN1CCC[C@H](C(=O)[O-])C1=O	ZINC001588390544	983394944	/nfs/dbraw/zinc/39/49/44/983394944.db2.gz	XKNYTOVGORKIGZ-NSHDSACASA-N	-1	0	295.335	0.902	20	30		CCEDRM
C#CC[C@@H](COC)NC(=O)N[C@H]1CC[C@@H](CC(=O)[O-])C1	ZINC001588393359	983397734	/nfs/dbraw/zinc/39/77/34/983397734.db2.gz	AKXCVIQJGBVBBR-WOPDTQHZSA-N	-1	0	282.340	0.967	20	30		CCEDRM
C#CC[C@H](CCOC)NS(=O)(=O)CC1(C(=O)[O-])CC1	ZINC001588394157	983401887	/nfs/dbraw/zinc/40/18/87/983401887.db2.gz	MZYISPIMDUZHEK-SNVBAGLBSA-N	-1	0	289.353	0.199	20	30		CCEDRM
C#CC[C@H](COC)NS(=O)(=O)CC(C)(C)C(=O)[O-]	ZINC001588395838	983406832	/nfs/dbraw/zinc/40/68/32/983406832.db2.gz	UJJPCZWDXGZRMV-SECBINFHSA-N	-1	0	277.342	0.055	20	30		CCEDRM
C#CC[C@H](NC(=O)[C@@H]1CC(=O)N(C(C)(C)C)C1)C(=O)[O-]	ZINC001588398073	983410561	/nfs/dbraw/zinc/41/05/61/983410561.db2.gz	CBWWWHDGRHIJLT-ZJUUUORDSA-N	-1	0	280.324	0.226	20	30		CCEDRM
C#CC[C@H](NC(=O)CNC(=O)CC1CCCC1)C(=O)[O-]	ZINC001588404704	983418847	/nfs/dbraw/zinc/41/88/47/983418847.db2.gz	GVYNHIKMATXOSV-NSHDSACASA-N	-1	0	280.324	0.276	20	30		CCEDRM
C#CC[C@H](NC(=O)[C@H]1CCCN(C(=O)OCC)C1)C(=O)[O-]	ZINC001588406921	983426684	/nfs/dbraw/zinc/42/66/84/983426684.db2.gz	TVIFSZIRJBKDOA-QWRGUYRKSA-N	-1	0	296.323	0.448	20	30		CCEDRM
C#CC[C@@H](NC(=O)/C=C(/C)c1cnccn1)C(=O)[O-]	ZINC001588407038	983427233	/nfs/dbraw/zinc/42/72/33/983427233.db2.gz	UTGYTMKUHHKBNV-UJICNMFASA-N	-1	0	259.265	0.473	20	30		CCEDRM
C#CC[C@@H](NC(=O)c1c(C)ccc(F)c1N)C(=O)[O-]	ZINC001588414245	983433295	/nfs/dbraw/zinc/43/32/95/983433295.db2.gz	PULZXZLVQXDXAU-SECBINFHSA-N	-1	0	264.256	0.923	20	30		CCEDRM
C#CC[C@H](NC(=O)c1ccnc(-n2cccn2)c1)C(=O)[O-]	ZINC001588415656	983435229	/nfs/dbraw/zinc/43/52/29/983435229.db2.gz	CWNUGOZXNPHFTQ-NSHDSACASA-N	-1	0	284.275	0.474	20	30		CCEDRM
C#CC[C@@H](NCc1cc(C(=O)OC)co1)C(=O)[O-]	ZINC001588421561	983441777	/nfs/dbraw/zinc/44/17/77/983441777.db2.gz	AEELXXPWPSTQLA-SNVBAGLBSA-N	-1	0	251.238	0.632	20	30		CCEDRM
C#CC[C@H](NS(=O)(=O)CCC1CCCC1)C(=O)[O-]	ZINC001588423277	983451875	/nfs/dbraw/zinc/45/18/75/983451875.db2.gz	BSAQQHOCXWIMHR-NSHDSACASA-N	-1	0	273.354	0.963	20	30		CCEDRM
C#CC[C@H](NS(=O)(=O)c1ccc(N(C)C)cc1)C(=O)[O-]	ZINC001588428734	983463370	/nfs/dbraw/zinc/46/33/70/983463370.db2.gz	ZFAGTWRUGRPDJG-LBPRGKRZSA-N	-1	0	296.348	0.507	20	30		CCEDRM
C#CCC1(O)CCN(c2ccc(C(=O)[O-])nn2)CC1	ZINC001588430717	983464188	/nfs/dbraw/zinc/46/41/88/983464188.db2.gz	CFFOEVOVYZIGAG-UHFFFAOYSA-N	-1	0	261.281	0.529	20	30		CCEDRM
C#CCC1(O)CCN(c2cncc(C(=O)[O-])n2)CC1	ZINC001588432106	983467545	/nfs/dbraw/zinc/46/75/45/983467545.db2.gz	YGXSKIFMTHDFER-UHFFFAOYSA-N	-1	0	261.281	0.529	20	30		CCEDRM
C#CC[C@H]1NC(=O)N(C2CCC(C(=O)[O-])CC2)C1=O	ZINC001588434832	983472765	/nfs/dbraw/zinc/47/27/65/983472765.db2.gz	VDRFEHBEIRYIMF-UDNWOFFPSA-N	-1	0	264.281	0.574	20	30		CCEDRM
C#CCCCC(=O)NCCCNC(=O)[C@H]1C[C@H]1C(=O)[O-]	ZINC001588435139	983474709	/nfs/dbraw/zinc/47/47/09/983474709.db2.gz	DMKCCFDVHVTSIT-WDEREUQCSA-N	-1	0	280.324	0.133	20	30		CCEDRM
C#CCCCC(=O)NCCN(C)C(=O)[C@H]1C[C@@H]1C(=O)[O-]	ZINC001588435238	983475444	/nfs/dbraw/zinc/47/54/44/983475444.db2.gz	HPSXOJCXGVQZHF-QWRGUYRKSA-N	-1	0	280.324	0.085	20	30		CCEDRM
C#CCN(C(=O)Nc1cc(C(=O)[O-])nn1C)C1CSC1	ZINC001588459698	983485742	/nfs/dbraw/zinc/48/57/42/983485742.db2.gz	IHEBXJRVQJJSOS-UHFFFAOYSA-N	-1	0	294.336	0.701	20	30		CCEDRM
C#CCN(C(=O)[C@@H]1C[C@H]1C(=O)[O-])C1CCN(C(C)=O)CC1	ZINC001588460042	983486823	/nfs/dbraw/zinc/48/68/23/983486823.db2.gz	QINWGFQUOXYFRJ-CHWSQXEVSA-N	-1	0	292.335	0.180	20	30		CCEDRM
CC#CCNCc1cn(-c2ccnc(C(=O)[O-])c2)nn1	ZINC001588479101	983517993	/nfs/dbraw/zinc/51/79/93/983517993.db2.gz	XLALFDKLFAHXLL-UHFFFAOYSA-N	-1	0	271.280	0.473	20	30		CCEDRM
C#CCNC(=O)[C@H](C)OC(=O)/C=C\c1ccc(C(=O)[O-])o1	ZINC001588479396	983519125	/nfs/dbraw/zinc/51/91/25/983519125.db2.gz	MLEMDPYVCMIZNC-PGBBXKAQSA-N	-1	0	291.259	0.672	20	30		CCEDRM
C#CCNC(=O)[C@@H](C)OC(=O)[C@H]1CC[C@H](C(=O)[O-])CC1	ZINC001588479595	983520603	/nfs/dbraw/zinc/52/06/03/983520603.db2.gz	VHGXYZYOGUKHMM-GMTAPVOTSA-N	-1	0	281.308	0.559	20	30		CCEDRM
C#CCNC(=O)N1CCC(c2cc(C(=O)[O-])on2)CC1	ZINC001588483761	983521891	/nfs/dbraw/zinc/52/18/91/983521891.db2.gz	HHCFGAHCOKLYPM-UHFFFAOYSA-N	-1	0	277.280	0.895	20	30		CCEDRM
C#CCOCCC(=O)N[C@@H](C(=O)[O-])c1ccc(O)cc1	ZINC001588489697	983528652	/nfs/dbraw/zinc/52/86/52/983528652.db2.gz	JONWDKLCVAWNDK-CYBMUJFWSA-N	-1	0	277.276	0.674	20	30		CCEDRM
C#CCO[C@H](C)C(=O)OCC(=O)C1(C(=O)[O-])CC1	ZINC001588489766	983529100	/nfs/dbraw/zinc/52/91/00/983529100.db2.gz	CJQQDMSKVJMOIW-MRVPVSSYSA-N	-1	0	254.238	0.002	20	30		CCEDRM
C#CCOCCNS(=O)(=O)[C@H]1CCCC[C@H]1C(=O)[O-]	ZINC001588490982	983534952	/nfs/dbraw/zinc/53/49/52/983534952.db2.gz	BBQPOMIPUISBMM-MNOVXSKESA-N	-1	0	289.353	0.199	20	30		CCEDRM
C#CCn1cc(CNC(=O)c2cc(C(=O)[O-])no2)cn1	ZINC001588509430	983552754	/nfs/dbraw/zinc/55/27/54/983552754.db2.gz	DKUGWVUSCPQGAO-UHFFFAOYSA-N	-1	0	274.236	0.133	20	30		CCEDRM
C#Cc1ccc(C(=O)N2CC[C@@](OC)(C(=O)[O-])C2)nc1	ZINC001588510833	983557341	/nfs/dbraw/zinc/55/73/41/983557341.db2.gz	LNSXQAQFQUPIGU-AWEZNQCLSA-N	-1	0	274.276	0.379	20	30		CCEDRM
C#Cc1ccc(C(=O)N[C@H](C(=O)[O-])c2ccn(C)n2)nc1	ZINC001588511447	983559449	/nfs/dbraw/zinc/55/94/49/983559449.db2.gz	VCLZQAMVTHFKMZ-LBPRGKRZSA-N	-1	0	284.275	0.352	20	30		CCEDRM
C#Cc1ccc(S(=O)(=O)N2CCC[C@@H]2C(=O)[O-])cc1	ZINC001588518248	983569082	/nfs/dbraw/zinc/56/90/82/983569082.db2.gz	XSULULNWZPVRAF-GFCCVEGCSA-N	-1	0	279.317	0.906	20	30		CCEDRM
C#Cc1ccccc1CC(=O)N1CCC[C@H](O)[C@@H]1C(=O)[O-]	ZINC001588524540	983575341	/nfs/dbraw/zinc/57/53/41/983575341.db2.gz	NGAMNEVHZHENBC-DZGCQCFKSA-N	-1	0	287.315	0.647	20	30		CCEDRM
C=C(C)C(C)(C)C(=O)N1C[C@@H](C(=O)[O-])[C@H](C(=O)OC)C1	ZINC001588530122	983583468	/nfs/dbraw/zinc/58/34/68/983583468.db2.gz	QYIOLROWNHLCFC-NXEZZACHSA-N	-1	0	283.324	0.921	20	30		CCEDRM
C=C(C)C(C)(C)C(=O)N[C@H](Cn1cncn1)C(=O)[O-]	ZINC001588530164	983583543	/nfs/dbraw/zinc/58/35/43/983583543.db2.gz	SRLVDMWUNYMQMO-SECBINFHSA-N	-1	0	266.301	0.450	20	30		CCEDRM
C=C(C)[C@H](CC(=O)N[C@H](Cc1c[nH]cn1)C(=O)[O-])OCC	ZINC001588533984	983585151	/nfs/dbraw/zinc/58/51/51/983585151.db2.gz	CQYMZTBGSSMFND-NEPJUHHUSA-N	-1	0	295.339	0.893	20	30		CCEDRM
C=C(C)[C@@H]1OCC[C@H]1CNc1ccnc(C(=O)[O-])n1	ZINC001588534905	983587061	/nfs/dbraw/zinc/58/70/61/983587061.db2.gz	CYWMGTLYBUQRFD-ONGXEEELSA-N	-1	0	263.297	0.990	20	30		CCEDRM
C=C(C)C[C@@H](NC(=O)[C@@H](C)CS(C)(=O)=O)C(=O)[O-]	ZINC001588536378	983593427	/nfs/dbraw/zinc/59/34/27/983593427.db2.gz	AHCPSXAGQYPYFO-DTWKUNHWSA-N	-1	0	277.342	0.203	20	30		CCEDRM
C=C(C)[C@@H]1OCC[C@@H]1CNS(=O)(=O)C[C@@H](C)C(=O)[O-]	ZINC001588536343	983593473	/nfs/dbraw/zinc/59/34/73/983593473.db2.gz	QXPAHJGHGNGKJV-MXWKQRLJSA-N	-1	0	291.369	0.608	20	30		CCEDRM
CCN(CC(=O)N[C@H](C(=O)[O-])C(C)C)[C@@H](C)C#N	ZINC001596207186	983594047	/nfs/dbraw/zinc/59/40/47/983594047.db2.gz	QGNGNUGYNNGBLV-ONGXEEELSA-N	-1	0	255.318	0.446	20	30		CCEDRM
C=C(C)C[C@H](NC(=O)[C@@H]1CCC[C@H](C(N)=O)C1)C(=O)[O-]	ZINC001588537608	983600650	/nfs/dbraw/zinc/60/06/50/983600650.db2.gz	TWVKRHNQFHBFSS-AXFHLTTASA-N	-1	0	282.340	0.814	20	30		CCEDRM
C=C(C)C[C@H](NC(=O)[C@H]1C[C@@H](C(=O)OC)C1)C(=O)[O-]	ZINC001588543359	983611320	/nfs/dbraw/zinc/61/13/20/983611320.db2.gz	GXELYAUAZMYTFR-AEJSXWLSSA-N	-1	0	269.297	0.721	20	30		CCEDRM
C=C(C)C[C@@H](NC(=O)c1ccc(C=O)n1C)C(=O)[O-]	ZINC001588546388	983615122	/nfs/dbraw/zinc/61/51/22/983615122.db2.gz	IPUFVMQIXKIUAI-SNVBAGLBSA-N	-1	0	264.281	0.987	20	30		CCEDRM
C=C(C)C[C@@H](NC(C)=O)C(=O)N(CC)CCC(=O)[O-]	ZINC001588547553	983620829	/nfs/dbraw/zinc/62/08/29/983620829.db2.gz	LLYBKRSIHAOUBX-LLVKDONJSA-N	-1	0	270.329	0.781	20	30		CCEDRM
C=C(C)C[C@@H](NC(C)=O)C(=O)N1CC[C@](C)(C(=O)[O-])C1	ZINC001588547865	983621836	/nfs/dbraw/zinc/62/18/36/983621836.db2.gz	OMGNTLWRPNFCIM-RISCZKNCSA-N	-1	0	282.340	0.781	20	30		CCEDRM
C=C(C)C[C@H](NC(C)=O)C(=O)N1CCO[C@H](CC(=O)[O-])C1	ZINC001588548686	983624681	/nfs/dbraw/zinc/62/46/81/983624681.db2.gz	WTWLCRWWLJTYOJ-NEPJUHHUSA-N	-1	0	298.339	0.159	20	30		CCEDRM
CCN(C[C@@H](C)C#N)S(=O)(=O)NC1(CC(=O)[O-])CC1	ZINC001596231560	983626845	/nfs/dbraw/zinc/62/68/45/983626845.db2.gz	PWCSLAZPZYMICW-VIFPVBQESA-N	-1	0	289.357	0.310	20	30		CCEDRM
C=C(C)C[C@@H](NS(=O)(=O)CCn1cccn1)C(=O)[O-]	ZINC001588553851	983628971	/nfs/dbraw/zinc/62/89/71/983628971.db2.gz	UJQBIVIILPSZFE-SNVBAGLBSA-N	-1	0	287.341	0.222	20	30		CCEDRM
C=C(C)C[C@@H](NS(=O)(=O)c1ccc(C#N)cn1)C(=O)[O-]	ZINC001588555321	983634211	/nfs/dbraw/zinc/63/42/11/983634211.db2.gz	FNBHKUYGINAXCJ-SNVBAGLBSA-N	-1	0	295.320	0.651	20	30		CCEDRM
C=C(C)C[C@@H](NS(=O)(=O)c1ccns1)C(=O)[O-]	ZINC001588555416	983634783	/nfs/dbraw/zinc/63/47/83/983634783.db2.gz	IDGYANHRBAMCSP-SSDOTTSWSA-N	-1	0	276.339	0.841	20	30		CCEDRM
C=C(C)C[C@@H](NS(=O)(=O)c1cnn(C)c1)C(=O)[O-]	ZINC001588555626	983636139	/nfs/dbraw/zinc/63/61/39/983636139.db2.gz	NRMKLTOZANCDJS-SECBINFHSA-N	-1	0	273.314	0.118	20	30		CCEDRM
C=C(C)CN(C)C(=O)C(=O)N[C@@H]1CC=C(C(=O)[O-])C1	ZINC001588561648	983642548	/nfs/dbraw/zinc/64/25/48/983642548.db2.gz	RZJOFWZOIHEWBS-SNVBAGLBSA-N	-1	0	266.297	0.311	20	30		CCEDRM
C=C(C)CNS(=O)(=O)c1cccnc1C(=O)[O-]	ZINC001588569416	983648864	/nfs/dbraw/zinc/64/88/64/983648864.db2.gz	ASBLPFIDBLQEJP-UHFFFAOYSA-N	-1	0	256.283	0.634	20	30		CCEDRM
C=C(C)CONC(=O)N1CCSC[C@H](C(=O)[O-])C1	ZINC001588573234	983651736	/nfs/dbraw/zinc/65/17/36/983651736.db2.gz	DUTRXBKYXRNSEW-SECBINFHSA-N	-1	0	274.342	0.953	20	30		CCEDRM
C=C(C)CONC(=O)Nc1ccc(C(=O)[O-])nn1	ZINC001588573604	983653432	/nfs/dbraw/zinc/65/34/32/983653432.db2.gz	QTANHQXOGSIZBN-UHFFFAOYSA-N	-1	0	252.230	0.804	20	30		CCEDRM
CCN(CC)C(=O)OCn1cc(C(=O)[O-])cc(C#N)c1=O	ZINC001596250447	983655005	/nfs/dbraw/zinc/65/50/05/983655005.db2.gz	ZLVVZVCYVZONBA-UHFFFAOYSA-N	-1	0	293.279	0.854	20	30		CCEDRM
C=C(C)CN1CCN(C(=O)[C@H]2C[C@@H]2C(=O)[O-])CC1	ZINC001588585418	983663654	/nfs/dbraw/zinc/66/36/54/983663654.db2.gz	QNZIIURZWFETAQ-QWRGUYRKSA-N	-1	0	252.314	0.427	20	30		CCEDRM
C=C(CCC(=O)[O-])C(=O)N1CC(C[NH+]2CCN(C)CC2)C1	ZINC001588612229	983702318	/nfs/dbraw/zinc/70/23/18/983702318.db2.gz	LFTOYEPGFCXZDS-UHFFFAOYSA-N	-1	0	295.383	0.113	20	30		CCEDRM
C=C(CCC(=O)[O-])C(=O)N1CC[C@H](C)[C@H](CO)C1	ZINC001588614678	983708194	/nfs/dbraw/zinc/70/81/94/983708194.db2.gz	ZKJHYYWJLVGWPL-ONGXEEELSA-N	-1	0	255.314	0.884	20	30		CCEDRM
C=C(CCC(=O)[O-])C(=O)N[C@H]1C(=O)NCC[C@H]1C	ZINC001588621283	983718772	/nfs/dbraw/zinc/71/87/72/983718772.db2.gz	BWKXPIRSKRQEGV-GMSGAONNSA-N	-1	0	254.286	0.048	20	30		CCEDRM
C=C(CCC(=O)[O-])C(=O)N[C@@H](C)c1ncnn1C	ZINC001588622101	983721914	/nfs/dbraw/zinc/72/19/14/983721914.db2.gz	OQWSNRUNPAMIRO-QMMMGPOBSA-N	-1	0	252.274	0.413	20	30		CCEDRM
C=C(CCC(=O)[O-])C(=O)NC[C@H](O)COCC1CC1	ZINC001588622739	983724876	/nfs/dbraw/zinc/72/48/76/983724876.db2.gz	DMUHVRHIKZOFDW-NSHDSACASA-N	-1	0	271.313	0.311	20	30		CCEDRM
C=C(CCC(=O)[O-])C(=O)NC[C@H]1CN(C2CC2)C(=O)O1	ZINC001588624631	983733833	/nfs/dbraw/zinc/73/38/33/983733833.db2.gz	QIABUOZDYAMYGQ-JTQLQIEISA-N	-1	0	282.296	0.507	20	30		CCEDRM
C=C(CCC(=O)[O-])C(=O)NCc1cnc2n1CCC2	ZINC001588629528	983737776	/nfs/dbraw/zinc/73/77/76/983737776.db2.gz	DNLNXBFYKNHEDV-UHFFFAOYSA-N	-1	0	263.297	0.867	20	30		CCEDRM
C=C(CCC(=O)[O-])C(=O)NCc1cc(=O)[nH]c(=S)[nH]1	ZINC001588629695	983738946	/nfs/dbraw/zinc/73/89/46/983738946.db2.gz	IOHWHAFPFBBAMK-UHFFFAOYSA-N	-1	0	283.309	0.508	20	30		CCEDRM
C=C(CCC(=O)[O-])C(=O)NCCc1nccn1C	ZINC001588629722	983738982	/nfs/dbraw/zinc/73/89/82/983738982.db2.gz	JDKBTWKQPPPEEH-UHFFFAOYSA-N	-1	0	251.286	0.500	20	30		CCEDRM
C=C[C@@H](C(=O)[O-])N1CCN(c2ccc(C(N)=O)cc2)CC1	ZINC001588669826	983815278	/nfs/dbraw/zinc/81/52/78/983815278.db2.gz	QQDFIOCWGCHTBA-ZDUSSCGKSA-N	-1	0	289.335	0.547	20	30		CCEDRM
C=C[C@](C)(O)C(=O)N(C)Cc1ccc(C(=O)[O-])cn1	ZINC001588683135	983846360	/nfs/dbraw/zinc/84/63/60/983846360.db2.gz	VFKQVASMFQZRHB-ZDUSSCGKSA-N	-1	0	264.281	0.675	20	30		CCEDRM
C=C[C@](C)(O)c1cn(C[C@@H]2CC(C(=O)[O-])=C(C)O2)nn1	ZINC001588684252	983856802	/nfs/dbraw/zinc/85/68/02/983856802.db2.gz	NUVXMWNOIRDVDJ-ZANVPECISA-N	-1	0	279.296	0.819	20	30		CCEDRM
C=C[C@](C)(O)CC(=O)N[C@@]1(C(=O)[O-])CCSC1	ZINC001588684317	983858088	/nfs/dbraw/zinc/85/80/88/983858088.db2.gz	OPEJODDERBYKMH-QWRGUYRKSA-N	-1	0	259.327	0.390	20	30		CCEDRM
C=C[C@@](C)(O)CC(=O)N1CC(c2cc(C(=O)[O-])n[nH]2)C1	ZINC001588684411	983859778	/nfs/dbraw/zinc/85/97/78/983859778.db2.gz	QFEBPAJAQWVCEP-CYBMUJFWSA-N	-1	0	279.296	0.361	20	30		CCEDRM
C=C[C@@H](COC)NS(=O)(=O)CC(C)(C)C(=O)[O-]	ZINC001588693438	983894969	/nfs/dbraw/zinc/89/49/69/983894969.db2.gz	YLENQMKJXOVCAZ-QMMMGPOBSA-N	-1	0	265.331	0.218	20	30		CCEDRM
C=C[C@@H](O)C(=O)N1C[C@@H](c2ccc(O)cc2)[C@H](C(=O)[O-])C1	ZINC001588702055	983918223	/nfs/dbraw/zinc/91/82/23/983918223.db2.gz	HMEPHZMSLQVNDQ-YNEHKIRRSA-N	-1	0	291.303	0.566	20	30		CCEDRM
C=C[C@@H](OC(=O)C1CCN(C(C)=O)CC1)C(=O)[O-]	ZINC001588711733	983939352	/nfs/dbraw/zinc/93/93/52/983939352.db2.gz	QWSJFMWBKXOPJZ-SNVBAGLBSA-N	-1	0	255.270	0.427	20	30		CCEDRM
C=CCC(C)(C)C(=O)N[C@H](Cn1cncn1)C(=O)[O-]	ZINC001588731655	984010401	/nfs/dbraw/zinc/01/04/01/984010401.db2.gz	MJTSYWWHPCFSFF-SECBINFHSA-N	-1	0	266.301	0.450	20	30		CCEDRM
C=CC[C@H](C(=O)OC)N1CCC([C@@H](O)C(=O)[O-])CC1	ZINC001588732012	984015428	/nfs/dbraw/zinc/01/54/28/984015428.db2.gz	UFZQZMPXFMXJOE-GHMZBOCLSA-N	-1	0	271.313	0.262	20	30		CCEDRM
C=CC[C@H](CC)NC(=O)C(=O)N1CC[C@H](C(=O)[O-])[C@H]1C	ZINC001588735458	984018250	/nfs/dbraw/zinc/01/82/50/984018250.db2.gz	AERVKLVPIYPQMG-VWYCJHECSA-N	-1	0	282.340	0.779	20	30		CCEDRM
C=CC[C@H](CC)NC(=O)C(=O)N1C[C@@H](C)O[C@@H](C(=O)[O-])C1	ZINC001588735885	984020987	/nfs/dbraw/zinc/02/09/87/984020987.db2.gz	NSAPWALSVDYDSB-OUAUKWLOSA-N	-1	0	298.339	0.158	20	30		CCEDRM
C=CC[C@H](NC(=O)[C@@H]1CC[C@@H]1C(=O)[O-])C(=O)OCC	ZINC001588743170	984036691	/nfs/dbraw/zinc/03/66/91/984036691.db2.gz	SGAXBFQDZZXSQJ-UTLUCORTSA-N	-1	0	269.297	0.721	20	30		CCEDRM
C=CC[C@H](CO)NS(=O)(=O)Cc1ccccc1C(=O)[O-]	ZINC001588743961	984040411	/nfs/dbraw/zinc/04/04/11/984040411.db2.gz	GATHPCXMTZDHEH-LLVKDONJSA-N	-1	0	299.348	0.741	20	30		CCEDRM
C=CC[C@@H](OC(=O)C1(OC)CCOCC1)C(=O)[O-]	ZINC001588750972	984074367	/nfs/dbraw/zinc/07/43/67/984074367.db2.gz	IQSAVVVNZUTNOJ-SECBINFHSA-N	-1	0	258.270	0.755	20	30		CCEDRM
C=CC[C@@H](OC(=O)C1(C(=O)NC)CCC1)C(=O)[O-]	ZINC001588751292	984075699	/nfs/dbraw/zinc/07/56/99/984075699.db2.gz	KRUWZVQDNMPJCS-MRVPVSSYSA-N	-1	0	255.270	0.475	20	30		CCEDRM
C=CC[C@@H](OC(=O)[C@@H]1CCCN(C2CC2)C1=O)C(=O)[O-]	ZINC001588753759	984088592	/nfs/dbraw/zinc/08/85/92/984088592.db2.gz	MWMRGMRSXHUBII-GHMZBOCLSA-N	-1	0	281.308	0.960	20	30		CCEDRM
C=CC[C@H](OC(=O)c1nc2nc(C)cc(C)n2n1)C(=O)[O-]	ZINC001588758826	984107930	/nfs/dbraw/zinc/10/79/30/984107930.db2.gz	KCBOUTMLQLHIHB-VIFPVBQESA-N	-1	0	290.279	0.927	20	30		CCEDRM
C=CC[C@H]1NC(=O)N([C@@H]2CC=C(C(=O)[O-])C2)C1=O	ZINC001588774100	984150930	/nfs/dbraw/zinc/15/09/30/984150930.db2.gz	SSSHDHKNYXYIEQ-RKDXNWHRSA-N	-1	0	250.254	0.656	20	30		CCEDRM
C=CCC[C@@H](CO)NC(=O)CCc1ocnc1C(=O)[O-]	ZINC001588777694	984157351	/nfs/dbraw/zinc/15/73/51/984157351.db2.gz	GCEHFIWAMZREQU-VIFPVBQESA-N	-1	0	282.296	0.749	20	30		CCEDRM
C=CCCCC(=O)N[C@H](CC1OCCO1)C(=O)[O-]	ZINC001588781840	984168635	/nfs/dbraw/zinc/16/86/35/984168635.db2.gz	JUFIRZFIBZZJHG-SECBINFHSA-N	-1	0	257.286	0.675	20	30		CCEDRM
C=CCCC[C@@H](NC(=O)[C@@H]1CSC(=O)N1)C(=O)[O-]	ZINC001588789630	984199857	/nfs/dbraw/zinc/19/98/57/984199857.db2.gz	GSKLVERSKHEPTL-SFYZADRCSA-N	-1	0	272.326	0.737	20	30		CCEDRM
C=CCCC[C@H](NC(=O)[C@H]1CCCNC1=O)C(=O)[O-]	ZINC001588790615	984207100	/nfs/dbraw/zinc/20/71/00/984207100.db2.gz	ZWGBMMYGFGYRNF-UWVGGRQHSA-N	-1	0	268.313	0.438	20	30		CCEDRM
C=CCCC[C@H](NC(=O)c1c[nH]nc1[N+](=O)[O-])C(=O)[O-]	ZINC001588793304	984217899	/nfs/dbraw/zinc/21/78/99/984217899.db2.gz	WAESCMTUEJOPJR-QMMMGPOBSA-N	-1	0	282.256	0.857	20	30		CCEDRM
C=CCCC[C@H](NC(=O)[C@H]1C[C@H]1C(=O)[O-])C(=O)OC	ZINC001588794482	984227686	/nfs/dbraw/zinc/22/76/86/984227686.db2.gz	VZUGRWLUGYANHL-AEJSXWLSSA-N	-1	0	269.297	0.721	20	30		CCEDRM
CCNS(=O)(=O)c1ccc(C#N)cc1C(=O)[O-]	ZINC001596496085	984242196	/nfs/dbraw/zinc/24/21/96/984242196.db2.gz	VACPOKHCKIVXAA-UHFFFAOYSA-N	-1	0	254.267	0.555	20	30		CCEDRM
C=CCCCNC(=O)C(=O)N[C@@H]1CC=C(C(=O)[O-])C1	ZINC001588803725	984251747	/nfs/dbraw/zinc/25/17/47/984251747.db2.gz	GRUNGHFIWFJNMA-SNVBAGLBSA-N	-1	0	266.297	0.358	20	30		CCEDRM
C=CCCCNS(=O)(=O)c1cc(C(=O)[O-])[nH]n1	ZINC001588803817	984252418	/nfs/dbraw/zinc/25/24/18/984252418.db2.gz	MBKTWEAJRBGYCN-UHFFFAOYSA-N	-1	0	259.287	0.352	20	30		CCEDRM
C=CCCN(C)C(=O)C(=O)N1C[C@@H]2CCC[C@]2(C(=O)[O-])C1	ZINC001588805821	984255841	/nfs/dbraw/zinc/25/58/41/984255841.db2.gz	PLHYXMIYPPLBOB-NHYWBVRUSA-N	-1	0	294.351	0.734	20	30		CCEDRM
C=CCCNC(=O)C(=O)Nc1cccc(OCC(=O)[O-])c1	ZINC001588807460	984259996	/nfs/dbraw/zinc/25/99/96/984259996.db2.gz	KXJMNGGMOPBXJB-UHFFFAOYSA-N	-1	0	292.291	0.781	20	30		CCEDRM
C=CCCO[C@H](C)C(=O)N(CC#N)CCC(=O)[O-]	ZINC001588808492	984262392	/nfs/dbraw/zinc/26/23/92/984262392.db2.gz	CKHXWSJWOIXCHH-SNVBAGLBSA-N	-1	0	254.286	0.794	20	30		CCEDRM
C=CCCOCC(=O)N1CC(F)(F)C[C@@H]1C(=O)[O-]	ZINC001588810235	984265933	/nfs/dbraw/zinc/26/59/33/984265933.db2.gz	FRMCTJWXAJRXGH-MRVPVSSYSA-N	-1	0	263.240	0.900	20	30		CCEDRM
C=CCCn1cc(CN2CCC[C@@H](O)[C@H]2C(=O)[O-])nn1	ZINC001588820049	984281322	/nfs/dbraw/zinc/28/13/22/984281322.db2.gz	OGUWZYBKNORYOU-NEPJUHHUSA-N	-1	0	280.328	0.264	20	30		CCEDRM
C=CCN(CCc1ccco1)[C@@H](C)C(=O)NCC(=O)[O-]	ZINC001588829181	984312575	/nfs/dbraw/zinc/31/25/75/984312575.db2.gz	HIKGHLIKECUTRS-NSHDSACASA-N	-1	0	280.324	0.899	20	30		CCEDRM
C=CCNC(=O)[C@@H](C)OC(=O)C(C)(C)CC(=O)[O-]	ZINC001588838141	984335260	/nfs/dbraw/zinc/33/52/60/984335260.db2.gz	ACSHAHBXNFVDGQ-MRVPVSSYSA-N	-1	0	257.286	0.721	20	30		CCEDRM
C=CCN1CC[C@H](N(C)c2cc(CC(=O)[O-])ccn2)C1=O	ZINC001588838792	984340607	/nfs/dbraw/zinc/34/06/07/984340607.db2.gz	JZBRRZGZXSGPDG-LBPRGKRZSA-N	-1	0	289.335	0.932	20	30		CCEDRM
C=CCN1CC[C@@H](N2CC[C@@]3(CC(C(=O)[O-])=NO3)C2)C1=O	ZINC001588839029	984343847	/nfs/dbraw/zinc/34/38/47/984343847.db2.gz	NGONJKXPVNUJKK-BXUZGUMPSA-N	-1	0	293.323	0.079	20	30		CCEDRM
C=CCN1CC[C@@H](N2CC[C@@](F)(C(=O)[O-])C2)C1=O	ZINC001588840114	984351952	/nfs/dbraw/zinc/35/19/52/984351952.db2.gz	ZSXKGFUXYWNHEM-SKDRFNHKSA-N	-1	0	256.277	0.272	20	30		CCEDRM
C=CCNc1nc(C(=O)O[C@@H](C)C(=O)C(=O)[O-])cs1	ZINC001588849466	984371477	/nfs/dbraw/zinc/37/14/77/984371477.db2.gz	SKECHHMMEYKOII-LURJTMIESA-N	-1	0	284.293	0.940	20	30		CCEDRM
C=CCOC[C@@H](NC(=O)C(=O)N1CCC[C@@H](C)C1)C(=O)[O-]	ZINC001588851095	984382976	/nfs/dbraw/zinc/38/29/76/984382976.db2.gz	UFJJKRIMKYIWOP-GHMZBOCLSA-N	-1	0	298.339	0.017	20	30		CCEDRM
C=CCOC[C@@H](NC(=O)COCc1cccnc1)C(=O)[O-]	ZINC001588854022	984388064	/nfs/dbraw/zinc/38/80/64/984388064.db2.gz	OBRFTCQKWWZKMD-GFCCVEGCSA-N	-1	0	294.307	0.370	20	30		CCEDRM
C=CCOC[C@H](NC(=O)[C@H]1CC(=O)N(CCC)C1)C(=O)[O-]	ZINC001588855253	984391906	/nfs/dbraw/zinc/39/19/06/984391906.db2.gz	FAEDWTVQBXAKNM-QWRGUYRKSA-N	-1	0	298.339	0.017	20	30		CCEDRM
C=CCOC[C@H](NC(=O)[C@@H]1CCC[C@@H](OC)C1)C(=O)[O-]	ZINC001588855451	984392480	/nfs/dbraw/zinc/39/24/80/984392480.db2.gz	GZKTXDCEPBMGJB-UTUOFQBUSA-N	-1	0	285.340	0.964	20	30		CCEDRM
C=CCOC[C@H](NC(=O)c1c(C)onc1CC)C(=O)[O-]	ZINC001588856494	984400957	/nfs/dbraw/zinc/40/09/57/984400957.db2.gz	KOKWLBYUPRHLBA-JTQLQIEISA-N	-1	0	282.296	0.931	20	30		CCEDRM
C=CCOC[C@@H](NC(=O)Cc1[nH]cnc1C)C(=O)[O-]	ZINC001588856717	984401428	/nfs/dbraw/zinc/40/14/28/984401428.db2.gz	PDYNTGCUOCOAGU-SNVBAGLBSA-N	-1	0	267.285	0.033	20	30		CCEDRM
C=CCOC[C@@H](NC(=O)c1c(C)cc[nH]c1=O)C(=O)[O-]	ZINC001588856625	984401462	/nfs/dbraw/zinc/40/14/62/984401462.db2.gz	NXPHBYOKTFLAOJ-SECBINFHSA-N	-1	0	280.280	0.481	20	30		CCEDRM
C=CCOC[C@@H](NC(=O)c1cc(CC)nnc1C)C(=O)[O-]	ZINC001588859237	984404442	/nfs/dbraw/zinc/40/44/42/984404442.db2.gz	FDJUMNRJCQSIJM-GFCCVEGCSA-N	-1	0	293.323	0.733	20	30		CCEDRM
C=CCOC[C@H](NC(=O)c1ccc(C#N)c(O)c1)C(=O)[O-]	ZINC001588859844	984408570	/nfs/dbraw/zinc/40/85/70/984408570.db2.gz	YSWZIEYYHWWCLR-NSHDSACASA-N	-1	0	290.275	0.649	20	30		CCEDRM
C=CCOC[C@H](NCc1ccc(C(=O)[O-])o1)C(=O)OC	ZINC001588865688	984419019	/nfs/dbraw/zinc/41/90/19/984419019.db2.gz	AXCFWDBEHUJUGH-JTQLQIEISA-N	-1	0	283.280	0.812	20	30		CCEDRM
C=CCONC(=O)N1CCC[C@@](O)(C2(C(=O)[O-])CCC2)C1	ZINC001588868600	984433828	/nfs/dbraw/zinc/43/38/28/984433828.db2.gz	MJJPCMURFYDNNK-AWEZNQCLSA-N	-1	0	298.339	0.895	20	30		CCEDRM
C=CCOCCN1CCc2[nH]nc(C(=O)[O-])c2C1	ZINC001588869001	984436933	/nfs/dbraw/zinc/43/69/33/984436933.db2.gz	JYGYXPIVNKWCNA-UHFFFAOYSA-N	-1	0	251.286	0.669	20	30		CCEDRM
C=C[C@@H]1OCC[C@H]1C(=O)N1CCC[C@H](O)[C@H]1C(=O)[O-]	ZINC001588917372	984566821	/nfs/dbraw/zinc/56/68/21/984566821.db2.gz	XWJSRGUYEYCRFK-RCWTZXSCSA-N	-1	0	269.297	0.014	20	30		CCEDRM
CC#CCCCC(=O)N1CCOC[C@@H]1CC(=O)[O-]	ZINC001588925287	984586302	/nfs/dbraw/zinc/58/63/02/984586302.db2.gz	OKGYDOAABUZPAO-NSHDSACASA-N	-1	0	253.298	0.882	20	30		CCEDRM
CC#CC[C@@H](CO)NC(=O)Nc1nn(C)cc1C(=O)[O-]	ZINC001588926475	984594532	/nfs/dbraw/zinc/59/45/32/984594532.db2.gz	ZMZSKKLBJWZFEZ-QMMMGPOBSA-N	-1	0	280.284	0.014	20	30		CCEDRM
CC#CCNCc1cn(Cc2ncccc2C(=O)[O-])nn1	ZINC001588931812	984603995	/nfs/dbraw/zinc/60/39/95/984603995.db2.gz	CBYRHLXSKXHUCT-UHFFFAOYSA-N	-1	0	285.307	0.533	20	30		CCEDRM
CC#CCn1nnnc1N1CCC2(C[C@@H]2C(=O)[O-])CC1	ZINC001588932326	984607706	/nfs/dbraw/zinc/60/77/06/984607706.db2.gz	RLZAHQZIRACJKY-SNVBAGLBSA-N	-1	0	275.312	0.388	20	30		CCEDRM
C/C(=C\CNC(=O)c1cnn(CCC#N)c1C)C(=O)[O-]	ZINC001588980204	984860317	/nfs/dbraw/zinc/86/03/17/984860317.db2.gz	SRHYLLGNSGKCFV-RUDMXATFSA-N	-1	0	276.296	0.866	20	30		CCEDRM
CC(=NN[C@H]1CCS(=O)(=O)C1)c1cc(C(=O)[O-])co1	ZINC001589017090	985000239	/nfs/dbraw/zinc/00/02/39/985000239.db2.gz	WXVAVTLCGYZHRF-VIFPVBQESA-N	-1	0	286.309	0.479	20	30		CCEDRM
C[C@H]1CN(c2nnc([C@H]3C[C@H]3C#N)n2C)C[C@]1(C)C(=O)[O-]	ZINC001599935365	985385520	/nfs/dbraw/zinc/38/55/20/985385520.db2.gz	PKHNUICCQNIUHF-QSDJMHMYSA-N	-1	0	289.339	0.989	20	30		CCEDRM
CCOC[C@H](C(=O)[O-])N(C)C(=O)Cc1ccc(C#N)nc1	ZINC001596872675	985707969	/nfs/dbraw/zinc/70/79/69/985707969.db2.gz	OLCUDZDPNFSZGR-GFCCVEGCSA-N	-1	0	291.307	0.444	20	30		CCEDRM
Cc1[nH]c(C=NN2CCC[C@@H]2CO)cc1C(=O)[O-]	ZINC001599960583	985773874	/nfs/dbraw/zinc/77/38/74/985773874.db2.gz	SHIMGFGEIKXRLY-SNVBAGLBSA-N	-1	0	251.286	0.812	20	30		CCEDRM
C[C@H](CNc1ccnc(C(=O)[O-])n1)N(C)C(=O)[C@@H](C)C#N	ZINC001589323829	986151185	/nfs/dbraw/zinc/15/11/85/986151185.db2.gz	OPDXYMRDVUDOIY-DTWKUNHWSA-N	-1	0	291.311	0.015	20	30		CCEDRM
C[C@@H](C#N)CN(C)C(=O)C(=O)Nc1cc(C(=O)[O-])n(C)c1	ZINC001589328683	986159136	/nfs/dbraw/zinc/15/91/36/986159136.db2.gz	GOPKZLKUVYTQKK-QMMMGPOBSA-N	-1	0	292.295	0.280	20	30		CCEDRM
C[C@H](C#N)CN(C)C(=O)COCc1ocnc1C(=O)[O-]	ZINC001589329198	986162551	/nfs/dbraw/zinc/16/25/51/986162551.db2.gz	LJFIMBKRYMORRG-MRVPVSSYSA-N	-1	0	281.268	0.507	20	30		CCEDRM
C[C@@H](C#N)CN(C)C(=O)C(=O)Nc1ccc(C(=O)[O-])cc1	ZINC001589329755	986166023	/nfs/dbraw/zinc/16/60/23/986166023.db2.gz	ROJBYCAHVPBJJN-VIFPVBQESA-N	-1	0	289.291	0.941	20	30		CCEDRM
C[C@@H](C#N)CNC(=O)Nc1c(C(=O)[O-])cnn1C	ZINC001589330439	986172350	/nfs/dbraw/zinc/17/23/50/986172350.db2.gz	FKLCYHHIBXNAKA-LURJTMIESA-N	-1	0	251.246	0.399	20	30		CCEDRM
C[C@H](C#N)CN(Cc1cn(CC(=O)[O-])nn1)C1CC1	ZINC001589330515	986173415	/nfs/dbraw/zinc/17/34/15/986173415.db2.gz	HZMIJQKCDUCROQ-SECBINFHSA-N	-1	0	263.301	0.487	20	30		CCEDRM
C[C@H](C(=O)NC1(C#N)CCC1)N1CC[C@](F)(C(=O)[O-])C1	ZINC001589388806	986498263	/nfs/dbraw/zinc/49/82/63/986498263.db2.gz	RDRIAGZXUOTMSA-NOZJJQNGSA-N	-1	0	283.303	0.436	20	30		CCEDRM
C[C@H](C(=O)NCC(=O)[O-])N1CCC[C@@H](CC#N)C1	ZINC001589396656	986524415	/nfs/dbraw/zinc/52/44/15/986524415.db2.gz	IYGRSLFYEFUVIH-ZJUUUORDSA-N	-1	0	253.302	0.201	20	30		CCEDRM
CCC(C#N)(CC)C(=O)NC[C@@]1(C(=O)[O-])CCOC1	ZINC001594721825	987205954	/nfs/dbraw/zinc/20/59/54/987205954.db2.gz	DMNBHSVCNZMEOI-ZDUSSCGKSA-N	-1	0	268.313	0.924	20	30		CCEDRM
CC[C@H](C#N)C(=O)N[C@H](C[C@@H]1CCCOC1)C(=O)[O-]	ZINC001594722343	987211393	/nfs/dbraw/zinc/21/13/93/987211393.db2.gz	NCQDMWQNINDYIB-HBNTYKKESA-N	-1	0	268.313	0.922	20	30		CCEDRM
CC[C@@H](C#N)C(=O)N(CCC(=O)[O-])CC(OC)OC	ZINC001594722810	987216602	/nfs/dbraw/zinc/21/66/02/987216602.db2.gz	WCHAZHACOYUNCB-VIFPVBQESA-N	-1	0	272.301	0.458	20	30		CCEDRM
CCc1c(C(=O)N2CCC(C#N)(C(=O)[O-])CC2)cnn1C	ZINC001597401770	987671546	/nfs/dbraw/zinc/67/15/46/987671546.db2.gz	KRBKZIWXYRRHRB-UHFFFAOYSA-N	-1	0	290.323	0.813	20	30		CCEDRM
CSC[C@](C)(C#N)NC(=O)CCSCC(=O)[O-]	ZINC001599790240	987994943	/nfs/dbraw/zinc/99/49/43/987994943.db2.gz	WAEPYEQCRJYAPF-JTQLQIEISA-N	-1	0	276.383	0.956	20	30		CCEDRM
CCc1ccc(C#CC(=O)N2CCO[C@@H](C(=O)[O-])C2)cc1	ZINC001597494995	988041086	/nfs/dbraw/zinc/04/10/86/988041086.db2.gz	NUYXJPVKBXPGDW-CQSZACIVSA-N	-1	0	287.315	0.913	20	30		CCEDRM
CSCCONC(=O)N1CCC(C#N)(C(=O)[O-])CC1	ZINC001599801267	988179955	/nfs/dbraw/zinc/17/99/55/988179955.db2.gz	WIMHLTYJCNXAMB-UHFFFAOYSA-N	-1	0	287.341	0.681	20	30		CCEDRM
C[C@@H]1CN(S(=O)(=O)CC(C)(C)C#N)C[C@H]1C(=O)[O-]	ZINC001599867705	989297887	/nfs/dbraw/zinc/29/78/87/989297887.db2.gz	LAFNXHGVGDGKEK-RKDXNWHRSA-N	-1	0	274.342	0.518	20	30		CCEDRM
CN(C(=O)Cn1ccc(C(=O)[O-])n1)[C@@H]1CCC[C@@H]1C#N	ZINC001598041328	990274742	/nfs/dbraw/zinc/27/47/42/990274742.db2.gz	NAOQLSKQXJTGET-MWLCHTKSSA-N	-1	0	276.296	0.732	20	30		CCEDRM
CN(C(=O)NC1CCN(CC#N)CC1)[C@H]1C[C@@H](C(=O)[O-])C1	ZINC001598049632	990298628	/nfs/dbraw/zinc/29/86/28/990298628.db2.gz	WMXKYXACVYHSPU-KLPPZKSPSA-N	-1	0	294.355	0.479	20	30		CCEDRM
CC(C)(CNC(=O)N1CCN(CCC#N)CC1)CC(=O)[O-]	ZINC001590717207	990481700	/nfs/dbraw/zinc/48/17/00/990481700.db2.gz	LBTSLCKKZTYTRO-UHFFFAOYSA-N	-1	0	296.371	0.728	20	30		CCEDRM
CN(CC(=O)N1CCC(C(=O)[O-])CC1)[C@H]1CCC[C@H]1C#N	ZINC001598378893	991570356	/nfs/dbraw/zinc/57/03/56/991570356.db2.gz	GPHCTEAXUPPGIA-STQMWFEESA-N	-1	0	293.367	0.934	20	30		CCEDRM
CN(CC(=O)N(CC#N)CCC(=O)[O-])c1ccccc1	ZINC001598379582	991575886	/nfs/dbraw/zinc/57/58/86/991575886.db2.gz	XBHDFGBJSNZNDQ-UHFFFAOYSA-N	-1	0	275.308	0.950	20	30		CCEDRM
COc1nccnc1CN(CC#N)CCC(=O)[O-]	ZINC001599738320	991808696	/nfs/dbraw/zinc/80/86/96/991808696.db2.gz	DXKDECVNPZPMQJ-UHFFFAOYSA-N	-1	0	250.258	0.285	20	30		CCEDRM
CN(Cc1cc(C#N)cs1)Cn1cnc(C(=O)[O-])n1	ZINC001598507930	992531579	/nfs/dbraw/zinc/53/15/79/992531579.db2.gz	XFRFQYBAZOVULQ-UHFFFAOYSA-N	-1	0	277.309	0.999	20	30		CCEDRM
C[C@@H](N[C@@H]1CCCN(O)C1=O)c1ncc(C(=O)[O-])s1	ZINC001593225108	994344206	/nfs/dbraw/zinc/34/42/06/994344206.db2.gz	SGHXVZDNKVELMC-RNFRBKRXSA-N	-1	0	285.325	0.872	20	30		CCEDRM
COc1cccc(C(=O)N(CC#N)CCC(=O)[O-])n1	ZINC001599640993	994359297	/nfs/dbraw/zinc/35/92/97/994359297.db2.gz	OKNRHVQZBNSJDW-UHFFFAOYSA-N	-1	0	263.253	0.531	20	30		CCEDRM
COC(=O)[C@@H](CC(=O)[O-])NC(=O)CC1(C#N)CCCCC1	ZINC001598695160	995125384	/nfs/dbraw/zinc/12/53/84/995125384.db2.gz	RNKGRKYORMVXPJ-SNVBAGLBSA-N	-1	0	296.323	0.983	20	30		CCEDRM
COC(=O)[C@H]1CC[C@H](C(=O)[O-])CN1C(=O)CC1(C#N)CC1	ZINC001598764196	995811051	/nfs/dbraw/zinc/81/10/51/995811051.db2.gz	YPHUXSSGHJFUDR-VHSXEESVSA-N	-1	0	294.307	0.545	20	30		CCEDRM
COC(=O)[C@H]1CN(C(=O)C#CC(C)(C)C)C[C@@H]1C(=O)[O-]	ZINC001598804185	996168531	/nfs/dbraw/zinc/16/85/31/996168531.db2.gz	STHIWKJDPUHCNC-UWVGGRQHSA-N	-1	0	281.308	0.368	20	30		CCEDRM
C[C@]1(C#N)CCCN(Cn2nc(C(=O)[O-])ccc2=O)C1	ZINC001593742703	996361983	/nfs/dbraw/zinc/36/19/83/996361983.db2.gz	DJIQFLJNNLHASG-CYBMUJFWSA-N	-1	0	276.296	0.525	20	30		CCEDRM
C[C@]1(C#N)CN(C(=O)CCSCC(=O)[O-])CCO1	ZINC001593743349	996367385	/nfs/dbraw/zinc/36/73/85/996367385.db2.gz	ORFSFJKORFMJGN-NSHDSACASA-N	-1	0	272.326	0.335	20	30		CCEDRM
COC(=O)CN(CC#N)C(=O)[C@H]1CC[C@H](C(=O)[O-])CC1	ZINC001598860469	996670027	/nfs/dbraw/zinc/67/00/27/996670027.db2.gz	CLADTCZYYUPPLA-MGCOHNPYSA-N	-1	0	282.296	0.403	20	30		CCEDRM
COC(=O)CN(CC#N)C(=O)c1cccc(CC(=O)[O-])c1	ZINC001598860434	996670206	/nfs/dbraw/zinc/67/02/06/996670206.db2.gz	ANTGINQMLPPDJZ-UHFFFAOYSA-N	-1	0	290.275	0.452	20	30		CCEDRM
COC(=O)CN(CC(=O)[O-])C(=O)c1cc(C#N)ccc1F	ZINC001598861052	996675315	/nfs/dbraw/zinc/67/53/15/996675315.db2.gz	SKXOVAKOLMCAOT-UHFFFAOYSA-N	-1	0	294.238	0.397	20	30		CCEDRM
COC(=O)C[C@@H](OC(=O)c1ccnc(C#N)c1)C(=O)[O-]	ZINC001598871277	996738809	/nfs/dbraw/zinc/73/88/09/996738809.db2.gz	LGSAQYCLPOXIAE-SECBINFHSA-N	-1	0	278.220	0.126	20	30		CCEDRM
CO[C@]1(C(=O)[O-])CCN(C(=O)c2ccc(C#N)nc2)C1	ZINC001599074014	996826275	/nfs/dbraw/zinc/82/62/75/996826275.db2.gz	VSBLQVBRLQKHAB-CYBMUJFWSA-N	-1	0	275.264	0.269	20	30		CCEDRM
COc1cc(C(=O)O[C@@H](C)C(=O)C(=O)[O-])ccc1C#N	ZINC001599386453	996954197	/nfs/dbraw/zinc/95/41/97/996954197.db2.gz	TUUYMOQRXMSYFM-ZETCQYMHSA-N	-1	0	277.232	0.766	20	30		CCEDRM
CC1(C)NC(=O)N(CCCN(CC#N)CCC(=O)[O-])C1=O	ZINC001593966943	997109783	/nfs/dbraw/zinc/10/97/83/997109783.db2.gz	AGHWYZKDULLVEQ-UHFFFAOYSA-N	-1	0	296.327	0.007	20	30		CCEDRM
COCC[C@](C)(C#N)NC(=O)[C@H]1C[C@@H](C)[C@H](C(=O)[O-])O1	ZINC001599206946	997424862	/nfs/dbraw/zinc/42/48/62/997424862.db2.gz	FKDITKOPJNAXRW-VWMGYNLJSA-N	-1	0	284.312	0.300	20	30		CCEDRM
CON1CCN([C@@H](C(=O)[O-])c2ccc(C#N)cc2)CC1	ZINC001599319983	997564701	/nfs/dbraw/zinc/56/47/01/997564701.db2.gz	JYBSKTGFAFNEGE-CYBMUJFWSA-N	-1	0	275.308	0.863	20	30		CCEDRM
CON=CC(=O)Nc1ccc2[nH]nc(C(=O)[O-])c2c1	ZINC001599320100	997566682	/nfs/dbraw/zinc/56/66/82/997566682.db2.gz	BNNFRKNDCFCVGA-UHFFFAOYSA-N	-1	0	262.225	0.832	20	30		CCEDRM
COc1c(C(=O)[O-])ncnc1N1CC[C@](O)(CC#N)C1	ZINC001599332391	997770430	/nfs/dbraw/zinc/77/04/30/997770430.db2.gz	FYGOKTGMEWXFIX-GFCCVEGCSA-N	-1	0	278.268	0.038	20	30		CCEDRM
COC(=O)c1cc(Cn2cc(C#N)nn2)cc(C(=O)[O-])c1	ZINC001598936422	997875094	/nfs/dbraw/zinc/87/50/94/997875094.db2.gz	UZDYMFPMKUMTBP-UHFFFAOYSA-N	-1	0	286.247	0.683	20	30		CCEDRM
COc1cc(C#N)ccc1C(=O)N[C@H]1CCO[C@H]1C(=O)[O-]	ZINC001599349616	998070385	/nfs/dbraw/zinc/07/03/85/998070385.db2.gz	YADJLROSFBWLLP-CMPLNLGQSA-N	-1	0	290.275	0.539	20	30		CCEDRM
COCC#CC(=O)Nc1cccc(OCC(=O)[O-])c1	ZINC001599138477	998084849	/nfs/dbraw/zinc/08/48/49/998084849.db2.gz	MLBHJVBJWSGYRE-UHFFFAOYSA-N	-1	0	263.249	0.738	20	30		CCEDRM
COCC#CCN[C@H](C(=O)[O-])c1ccc(OC)c(O)c1	ZINC001599139021	998094720	/nfs/dbraw/zinc/09/47/20/998094720.db2.gz	REOXFIYBQKXFIJ-ZDUSSCGKSA-N	-1	0	279.292	0.766	20	30		CCEDRM
C[C@H]1C(=O)CC[C@@H]1CC(=O)N(CC#N)CCC(=O)[O-]	ZINC001594121258	998277778	/nfs/dbraw/zinc/27/77/78/998277778.db2.gz	CSLXNQFZGXCULV-NXEZZACHSA-N	-1	0	266.297	0.819	20	30		CCEDRM
COC[C@H](NC(=O)Cc1cccc(C#N)c1)C(=O)[O-]	ZINC001599170014	998597969	/nfs/dbraw/zinc/59/79/69/998597969.db2.gz	LBUDANBQQSIMOM-NSHDSACASA-N	-1	0	262.265	0.317	20	30		CCEDRM
CC1CC(C#N)(C(=O)N[C@H](CC2OCCO2)C(=O)[O-])C1	ZINC001594201007	998775733	/nfs/dbraw/zinc/77/57/33/998775733.db2.gz	UHPICEIHPTUWRN-XQVHRTOBSA-N	-1	0	282.296	0.259	20	30		CCEDRM
COC(=O)c1coc(/C=C/C(=O)N(CC#N)CC(=O)[O-])c1	ZINC001599014532	998927293	/nfs/dbraw/zinc/92/72/93/998927293.db2.gz	PEUPCWRZNAGMLH-NSCUHMNNSA-N	-1	0	292.247	0.516	20	30		CCEDRM
CC[C@H](C(=O)NCc1n[nH]c(=O)[n-]1)N1CCCC1=O	ZINC000330064316	529578424	/nfs/dbraw/zinc/57/84/24/529578424.db2.gz	QZFMHAYPOKFNBE-SSDOTTSWSA-N	-1	0	267.289	0.368	20	30		CCEDRM
CO[C@@H]1CN(S(=O)(=O)CCCC#N)[C@@](C)(C(=O)[O-])C1	ZINC000600659318	362027371	/nfs/dbraw/zinc/02/73/71/362027371.db2.gz	OETQMEWUUJQMTP-GXSJLCMTSA-N	-1	0	290.341	0.184	20	30		CCEDRM
CCO[C@@H](CS(=O)(=O)[N-]c1nn(C)cc1C#N)C1CC1	ZINC000600650359	362027387	/nfs/dbraw/zinc/02/73/87/362027387.db2.gz	IQBXGRQKUBSIGK-NSHDSACASA-N	-1	0	298.368	0.849	20	30		CCEDRM
Cc1nc(N2C[C@@H](C)O[C@@H](C(=O)[O-])C2)ccc1C#N	ZINC000600678423	362031981	/nfs/dbraw/zinc/03/19/81/362031981.db2.gz	QPTKYXJWBWGNHZ-LDYMZIIASA-N	-1	0	261.281	0.940	20	30		CCEDRM
C[C@]1(C(=O)[O-])CCCN1S(=O)(=O)CC1(C#N)CCC1	ZINC000600939945	362095664	/nfs/dbraw/zinc/09/56/64/362095664.db2.gz	LQVRSDHBDBUQMS-LLVKDONJSA-N	-1	0	286.353	0.949	20	30		CCEDRM
N#CCCN1CCN(C(=O)N=c2[n-]ncs2)CC1	ZINC000601257084	362192709	/nfs/dbraw/zinc/19/27/09/362192709.db2.gz	FOMABGZLZQQLFI-UHFFFAOYSA-N	-1	0	266.330	0.023	20	30		CCEDRM
N#Cc1c[n-][nH]c1=NC(=O)[C@@H]1CCc2nccn2C1	ZINC000601637841	362335998	/nfs/dbraw/zinc/33/59/98/362335998.db2.gz	YAVKJZKKWLOZPR-MRVPVSSYSA-N	-1	0	256.269	0.101	20	30		CCEDRM
CC(C)Cn1cc(C(=O)N=c2[nH][n-]cc2C#N)cn1	ZINC000601637853	362336374	/nfs/dbraw/zinc/33/63/74/362336374.db2.gz	BMFNMKIVHQXWQB-UHFFFAOYSA-N	-1	0	258.285	0.808	20	30		CCEDRM
Cc1[n-]n(CCCN2CCOCC2)c(=O)c1CCC#N	ZINC000601947030	362433662	/nfs/dbraw/zinc/43/36/62/362433662.db2.gz	DMSKHDVQYQEYHN-CYBMUJFWSA-N	-1	0	278.356	0.847	20	30		CCEDRM
CC(C)N(C)C(=O)CCn1cc(C#N)c(=O)[n-]c1=O	ZINC000602051686	362468634	/nfs/dbraw/zinc/46/86/34/362468634.db2.gz	HCZNYENIJULCJC-UHFFFAOYSA-N	-1	0	264.285	0.077	20	30		CCEDRM
C[C@@H](C1CC1)N(C)C(=O)CCn1cc(C#N)c(=O)[n-]c1=O	ZINC000602056487	362469186	/nfs/dbraw/zinc/46/91/86/362469186.db2.gz	HAOJWASDDSPJNP-VIFPVBQESA-N	-1	0	290.323	0.468	20	30		CCEDRM
CN(CC(C)(C)C)C(=O)Cn1cc(C#N)c(=O)[n-]c1=O	ZINC000602089728	362480520	/nfs/dbraw/zinc/48/05/20/362480520.db2.gz	IJYMLQBDDHTXHG-UHFFFAOYSA-N	-1	0	278.312	0.325	20	30		CCEDRM
CC[C@@H](C)N(C)C(=O)CCn1cc(C#N)c(=O)[n-]c1=O	ZINC000602089511	362480529	/nfs/dbraw/zinc/48/05/29/362480529.db2.gz	UKWZWSCRYWTZRA-SECBINFHSA-N	-1	0	278.312	0.468	20	30		CCEDRM
C=C1CCN(C(=O)CCn2cc(C#N)c(=O)[n-]c2=O)CC1	ZINC000602094837	362483273	/nfs/dbraw/zinc/48/32/73/362483273.db2.gz	XUAAAFYYQQHRMC-UHFFFAOYSA-N	-1	0	288.307	0.389	20	30		CCEDRM
C=C[C@H]1CCCCN1C(=O)Cn1cc(C#N)c(=O)[n-]c1=O	ZINC000602138598	362519038	/nfs/dbraw/zinc/51/90/38/362519038.db2.gz	CHGNBUSYDNDSGI-NSHDSACASA-N	-1	0	288.307	0.388	20	30		CCEDRM
C[C@H]1CCC(C)(C)N1C(=O)Cn1cc(C#N)c(=O)[n-]c1=O	ZINC000602156850	362532196	/nfs/dbraw/zinc/53/21/96/362532196.db2.gz	DERHCWHHRMCBRI-VIFPVBQESA-N	-1	0	290.323	0.610	20	30		CCEDRM
C[C@H]1[C@@H](C)N(C(=O)Cn2cc(C#N)c(=O)[n-]c2=O)C[C@H]1C	ZINC000602165287	362536858	/nfs/dbraw/zinc/53/68/58/362536858.db2.gz	QZBREWZMWCZTNI-OPRDCNLKSA-N	-1	0	290.323	0.323	20	30		CCEDRM
CCN(CCSC)C(=O)Cn1cc(C#N)c(=O)[n-]c1=O	ZINC000602171842	362541583	/nfs/dbraw/zinc/54/15/83/362541583.db2.gz	JWZLTTNJOQFMPA-UHFFFAOYSA-N	-1	0	296.352	0.032	20	30		CCEDRM
C[C@](O)(CNc1cccc(C#N)c1[N+](=O)[O-])C(=O)[O-]	ZINC000263554537	137068263	/nfs/dbraw/zinc/06/82/63/137068263.db2.gz	NIPFBKGSUPILNP-NSHDSACASA-N	-1	0	265.225	0.714	20	30		CCEDRM
C[C@@H]1C[C@H](NC(=O)N=c2[n-]n(C)cc2C#N)[C@@H](C)O1	ZINC000602884170	362863508	/nfs/dbraw/zinc/86/35/08/362863508.db2.gz	VNTOYGDCPFIWKU-MRTMQBJTSA-N	-1	0	263.301	0.401	20	30		CCEDRM
C[C@@H](CO)C1CCN(C(=O)N=c2[n-]n(C)cc2C#N)CC1	ZINC000602886113	362864120	/nfs/dbraw/zinc/86/41/20/362864120.db2.gz	JGUINHSNWRMXGD-JTQLQIEISA-N	-1	0	291.355	0.586	20	30		CCEDRM
C[C@H]1O[C@@H](C)[C@@H](C)[C@H]1NC(=O)N=c1[n-]n(C)cc1C#N	ZINC000602885038	362864370	/nfs/dbraw/zinc/86/43/70/362864370.db2.gz	YFASGURBAJUQAJ-PKIKSRDPSA-N	-1	0	277.328	0.647	20	30		CCEDRM
Cn1cc(C#N)c(=NC(=O)N2CC[C@@H]3COC[C@H]3C2)[n-]1	ZINC000602885522	362864927	/nfs/dbraw/zinc/86/49/27/362864927.db2.gz	FVRXXUWVCRJJLP-MWLCHTKSSA-N	-1	0	275.312	0.214	20	30		CCEDRM
Cn1cc(C#N)c(=NC(=O)N2CCc3nccnc3C2)[n-]1	ZINC000602888390	362867427	/nfs/dbraw/zinc/86/74/27/362867427.db2.gz	UKMQLXMWTQABTC-UHFFFAOYSA-N	-1	0	283.295	0.094	20	30		CCEDRM
Cc1nc(C(=O)NC2(c3nnn[n-]3)CCCC2)ccc1C#N	ZINC000346317094	137278711	/nfs/dbraw/zinc/27/87/11/137278711.db2.gz	BYYVJHPLZSRAGV-UHFFFAOYSA-N	-1	0	297.322	0.974	20	30		CCEDRM
C[C@H](CN(C)C(=O)c1ccc(C#N)o1)c1nnn[n-]1	ZINC000346561341	137293349	/nfs/dbraw/zinc/29/33/49/137293349.db2.gz	ZWFAMCNORYEQAP-SSDOTTSWSA-N	-1	0	260.257	0.540	20	30		CCEDRM
C[C@H](C(=O)[O-])N(C)S(=O)(=O)c1cccc(C#N)c1	ZINC000054053336	348539362	/nfs/dbraw/zinc/53/93/62/348539362.db2.gz	IMUPSYVIMYYORJ-MRVPVSSYSA-N	-1	0	268.294	0.652	20	30		CCEDRM
COC(=O)CCCC(=O)Nc1nc(C#N)c(C#N)[n-]1	ZINC000130945965	350254897	/nfs/dbraw/zinc/25/48/97/350254897.db2.gz	COWPFFQUSFIMLU-UHFFFAOYSA-N	-1	0	261.241	0.435	20	30		CCEDRM
C[C@@H]1CN(C(=O)c2cc(=O)n(C)[n-]2)C[C@@H](C)N1CC#N	ZINC000603090202	362957833	/nfs/dbraw/zinc/95/78/33/362957833.db2.gz	LZXMANIJZLWUBF-NXEZZACHSA-N	-1	0	277.328	0.184	20	30		CCEDRM
C=CC[C@H](CO)NC(=O)c1cc([N+](=O)[O-])ccc1[O-]	ZINC000185920739	351466219	/nfs/dbraw/zinc/46/62/19/351466219.db2.gz	KKASXNZWEPXESB-MRVPVSSYSA-N	-1	0	266.253	0.967	20	30		CCEDRM
C[C@H](C#N)CN(C)S(=O)(=O)N1CCC[C@@H](C(=O)[O-])C1	ZINC000225591757	352009969	/nfs/dbraw/zinc/00/99/69/352009969.db2.gz	WBKUUZZAECUBEG-NXEZZACHSA-N	-1	0	289.357	0.119	20	30		CCEDRM
C=CCSCCNC(=O)N1CCO[C@H](C(=O)[O-])C1	ZINC000231956236	352139192	/nfs/dbraw/zinc/13/91/92/352139192.db2.gz	GYKIYZZRFWMDKA-VIFPVBQESA-N	-1	0	274.342	0.401	20	30		CCEDRM
CC(C)[C@@](C)(C#N)NC(=O)[C@@H](C)Sc1n[n-]c(=N)n1C	ZINC000603496800	363139672	/nfs/dbraw/zinc/13/96/72/363139672.db2.gz	BZKRLJMXFYZAOR-PRHODGIISA-N	-1	0	296.400	0.763	20	30		CCEDRM
C=CC[C@H](NS(=O)(=O)Cc1ccon1)C(=O)[O-]	ZINC000274944034	353174792	/nfs/dbraw/zinc/17/47/92/353174792.db2.gz	RKCVLQOVYRKFHO-QMMMGPOBSA-N	-1	0	260.271	0.123	20	30		CCEDRM
C[C@H](CNS(=O)(=O)c1ccc(F)cc1C#N)C(=O)[O-]	ZINC000274959520	353175451	/nfs/dbraw/zinc/17/54/51/353175451.db2.gz	UWFFBQQZLPIYPX-SSDOTTSWSA-N	-1	0	286.284	0.696	20	30		CCEDRM
C[C@@H](CN(C)C(=O)c1ccc(C#N)cc1)c1nnn[n-]1	ZINC000274770373	353160718	/nfs/dbraw/zinc/16/07/18/353160718.db2.gz	LVULSGUIFJBPHB-VIFPVBQESA-N	-1	0	270.296	0.947	20	30		CCEDRM
CC#CC[C@H](NS(=O)(=O)c1cccc(F)c1)C(=O)[O-]	ZINC000275065127	353182477	/nfs/dbraw/zinc/18/24/77/353182477.db2.gz	VJAWYHOEJQYKMF-NSHDSACASA-N	-1	0	285.296	0.971	20	30		CCEDRM
C=CCN(CC(=O)[O-])S(=O)(=O)c1cn(C)c(Cl)n1	ZINC000275293685	353203146	/nfs/dbraw/zinc/20/31/46/353203146.db2.gz	MIRQPADYVPGSER-UHFFFAOYSA-N	-1	0	293.732	0.335	20	30		CCEDRM
C[C@@H](O)CC[N-]S(=O)(=O)c1c(F)cc(C#N)cc1F	ZINC000154303164	188134906	/nfs/dbraw/zinc/13/49/06/188134906.db2.gz	JORBPANALKQHDT-SSDOTTSWSA-N	-1	0	290.291	0.886	20	30		CCEDRM
N#Cc1ccc(S(=O)(=O)N[C@@H](CC(F)F)C(=O)[O-])o1	ZINC000287133346	353628366	/nfs/dbraw/zinc/62/83/66/353628366.db2.gz	HAEHMSVPNPXDBZ-LURJTMIESA-N	-1	0	294.235	0.538	20	30		CCEDRM
N#Cc1ccc(S(=O)(=O)NC2(C(=O)[O-])CCC2)cc1	ZINC000164939694	188628421	/nfs/dbraw/zinc/62/84/21/188628421.db2.gz	NQFPFZGLKYBKPE-UHFFFAOYSA-N	-1	0	280.305	0.844	20	30		CCEDRM
C=CCNc1ncc(C(=O)[N-]N2CC(=O)N(C)C2=O)s1	ZINC000271778657	191321397	/nfs/dbraw/zinc/32/13/97/191321397.db2.gz	DBTYHSFSMQEIOZ-UHFFFAOYSA-N	-1	0	295.324	0.280	20	30		CCEDRM
Cc1ncc(S(=O)(=O)[N-]c2ccnn2C)cc1C#N	ZINC000336815835	355190149	/nfs/dbraw/zinc/19/01/49/355190149.db2.gz	JEYZNGJBYOOATE-UHFFFAOYSA-N	-1	0	277.309	0.796	20	30		CCEDRM
N#Cc1nc(NC(=O)[C@H]2C[C@H]2C(F)F)[n-]c1C#N	ZINC000338368067	355333393	/nfs/dbraw/zinc/33/33/93/355333393.db2.gz	UOSYTHHOKSYYKY-UHNVWZDZSA-N	-1	0	251.196	0.993	20	30		CCEDRM
C=CCOCC(=O)N[C@H](Cc1ccncc1)C(=O)[O-]	ZINC000655598878	412629600	/nfs/dbraw/zinc/62/96/00/412629600.db2.gz	JBRJAPNKJITAMC-LLVKDONJSA-N	-1	0	264.281	0.396	20	30		CCEDRM
CC[C@@H](NS(=O)(=O)c1cccc(CC#N)c1)C(=O)[O-]	ZINC000619470145	366264120	/nfs/dbraw/zinc/26/41/20/366264120.db2.gz	NOERIECBMZNURV-LLVKDONJSA-N	-1	0	282.321	0.894	20	30		CCEDRM
C=C(C)CNC(=O)N=c1ccc(C(=O)OC)n[n-]1	ZINC000619633191	366305889	/nfs/dbraw/zinc/30/58/89/366305889.db2.gz	ADQAJKSSDOXAPO-UHFFFAOYSA-N	-1	0	250.258	0.383	20	30		CCEDRM
COCCN(CCC#N)C(=O)N=c1[n-]nc(OC)s1	ZINC000619800416	366355779	/nfs/dbraw/zinc/35/57/79/366355779.db2.gz	AQBXYVCXXPXPQZ-UHFFFAOYSA-N	-1	0	285.329	0.363	20	30		CCEDRM
Cc1cccnc1CNC(=O)N=c1[n-]n(C)cc1C#N	ZINC000610527857	363572919	/nfs/dbraw/zinc/57/29/19/363572919.db2.gz	SXABVPZXNDSZAX-UHFFFAOYSA-N	-1	0	270.296	0.739	20	30		CCEDRM
Cc1[n-][nH]c(=NC(=O)[C@H]2CC23CCOCC3)c1C#N	ZINC000365979867	357181849	/nfs/dbraw/zinc/18/18/49/357181849.db2.gz	OVYYREQJPULPEM-SNVBAGLBSA-N	-1	0	260.297	0.767	20	30		CCEDRM
CO[C@H]1C[C@@H](NC(=O)N=c2[n-]n(C)cc2C#N)C1(C)C	ZINC000610652611	363590574	/nfs/dbraw/zinc/59/05/74/363590574.db2.gz	ZHPPRIMRBDUTKU-ZJUUUORDSA-N	-1	0	277.328	0.649	20	30		CCEDRM
Cn1cnc(=NC(=O)N2CC(Oc3ccc(C#N)cc3)C2)[n-]1	ZINC000455584232	236345221	/nfs/dbraw/zinc/34/52/21/236345221.db2.gz	KGXZZXJCBVERID-UHFFFAOYSA-N	-1	0	298.306	0.404	20	30		CCEDRM
C=CCOC[C@H](NC(=O)NCCc1nccs1)C(=O)[O-]	ZINC000684726845	545729102	/nfs/dbraw/zinc/72/91/02/545729102.db2.gz	SIVLHHXNNQVNLV-VIFPVBQESA-N	-1	0	299.352	0.641	20	30		CCEDRM
C=CCNC(=O)CN=c1[n-]c(C(C)=O)c(C)s1	ZINC000450425609	358256213	/nfs/dbraw/zinc/25/62/13/358256213.db2.gz	NPGGFDGHBXRRLC-UHFFFAOYSA-N	-1	0	253.327	0.790	20	30		CCEDRM
C#CCN(CC#N)C(=O)c1ccc([O-])c([N+](=O)[O-])c1	ZINC000491014043	358291951	/nfs/dbraw/zinc/29/19/51/358291951.db2.gz	NNDUJXZORIXPCI-UHFFFAOYSA-N	-1	0	259.221	0.899	20	30		CCEDRM
C=CCS(=O)(=O)[N-]C(=O)/C=C\c1cnc(OC)nc1	ZINC000492712650	358303127	/nfs/dbraw/zinc/30/31/27/358303127.db2.gz	VOBCTQVYMAACTE-PLNGDYQASA-N	-1	0	283.309	0.130	20	30		CCEDRM
Cn1cc(C#N)c(=NC(=O)N2CCC(C)(O)CC2)[n-]1	ZINC000610744226	363606640	/nfs/dbraw/zinc/60/66/40/363606640.db2.gz	XKOQJJYVYGIYEL-UHFFFAOYSA-N	-1	0	263.301	0.092	20	30		CCEDRM
C[C@@H](NS(=O)(=O)Cc1ccc(CC#N)cc1)C(=O)[O-]	ZINC000563148021	358556589	/nfs/dbraw/zinc/55/65/89/358556589.db2.gz	KNVWACIAPBVAPW-SECBINFHSA-N	-1	0	282.321	0.645	20	30		CCEDRM
Cn1cc(C#N)c(=NC(=O)NCc2ccn3ccnc3c2)[n-]1	ZINC000610773233	363612510	/nfs/dbraw/zinc/61/25/10/363612510.db2.gz	PTBGNXNKXUPYIE-UHFFFAOYSA-N	-1	0	295.306	0.683	20	30		CCEDRM
C=CCC[C@H](NC(=O)c1nc2ncc(C)cn2n1)C(=O)[O-]	ZINC000571062708	358909224	/nfs/dbraw/zinc/90/92/24/358909224.db2.gz	ZJNKLCLKGGESRY-VIFPVBQESA-N	-1	0	289.295	0.582	20	30		CCEDRM
CO[C@@H](CS(=O)(=O)[N-]c1ccc(C#N)cn1)C1CC1	ZINC000573490542	358973079	/nfs/dbraw/zinc/97/30/79/358973079.db2.gz	NYTMWNKRHRBYSQ-NSHDSACASA-N	-1	0	281.337	0.542	20	30		CCEDRM
C=CCn1cc(CNC(=O)N2CC[C@@H](C(=O)[O-])C2)nn1	ZINC000573596092	358982556	/nfs/dbraw/zinc/98/25/56/358982556.db2.gz	OQQBSKUXCIHEBZ-SECBINFHSA-N	-1	0	279.300	0.080	20	30		CCEDRM
C=CCn1cc(CNC(=O)N2CC[C@H](C(=O)[O-])C2)nn1	ZINC000573596106	358982855	/nfs/dbraw/zinc/98/28/55/358982855.db2.gz	OQQBSKUXCIHEBZ-VIFPVBQESA-N	-1	0	279.300	0.080	20	30		CCEDRM
C=CCCCS(=O)(=O)N1CCC(O)(C(=O)[O-])CC1	ZINC000584775362	359202431	/nfs/dbraw/zinc/20/24/31/359202431.db2.gz	JQKPVXXJSYGSPX-UHFFFAOYSA-N	-1	0	277.342	0.194	20	30		CCEDRM
N#Cc1ccc(CCC(=O)N=c2cc(C(N)=O)[n-][nH]2)cc1	ZINC000610872340	363623519	/nfs/dbraw/zinc/62/35/19/363623519.db2.gz	JXYKQCPXAGSEHD-UHFFFAOYSA-N	-1	0	283.291	0.373	20	30		CCEDRM
N#Cc1c[n-]c(=O)n(Cc2csc(C3CC3)n2)c1=O	ZINC000584838988	359215347	/nfs/dbraw/zinc/21/53/47/359215347.db2.gz	PUCVZAOBPHSABL-UHFFFAOYSA-N	-1	0	274.305	0.790	20	30		CCEDRM
COCc1nc(=NC(=O)c2cc(O)cc(C#N)c2)s[n-]1	ZINC000589202232	359369428	/nfs/dbraw/zinc/36/94/28/359369428.db2.gz	RTSZHBLPNKNYPK-UHFFFAOYSA-N	-1	0	290.304	0.936	20	30		CCEDRM
CC[C@H](CNC(=O)N=c1[n-]n(C)cc1C#N)OC	ZINC000589332348	359379042	/nfs/dbraw/zinc/37/90/42/359379042.db2.gz	CMISISQRFLXDFR-SECBINFHSA-N	-1	0	251.290	0.260	20	30		CCEDRM
CN(C[C@@H]1CCC[C@H]1O)C(=O)N=c1[n-]n(C)cc1C#N	ZINC000611112030	363661034	/nfs/dbraw/zinc/66/10/34/363661034.db2.gz	RZYHEUXVTUEEDE-GXSJLCMTSA-N	-1	0	277.328	0.338	20	30		CCEDRM
COCC1(NC(=O)N=c2[n-]n(C)cc2C#N)CCOCC1	ZINC000590121431	359425545	/nfs/dbraw/zinc/42/55/45/359425545.db2.gz	KXQMFYKYBLZKHI-UHFFFAOYSA-N	-1	0	293.327	0.031	20	30		CCEDRM
N#CCCN(CC1CC1)S(=O)(=O)c1ncc[n-]1	ZINC000590591031	359491597	/nfs/dbraw/zinc/49/15/97/359491597.db2.gz	GZKRWEVBTXTLDS-UHFFFAOYSA-N	-1	0	254.315	0.724	20	30		CCEDRM
Cn1cc(C#N)c(=NC(=O)N[C@H]2COCC2(C)C)[n-]1	ZINC000590819894	359527245	/nfs/dbraw/zinc/52/72/45/359527245.db2.gz	ZKVHRUGSMJXAED-VIFPVBQESA-N	-1	0	263.301	0.260	20	30		CCEDRM
C[C@@H]1C[C@H](NC(=O)N=c2[n-]n(C)cc2C#N)CS1	ZINC000591338147	359579442	/nfs/dbraw/zinc/57/94/42/359579442.db2.gz	NHBDBZNYRIFHTJ-APPZFPTMSA-N	-1	0	265.342	0.729	20	30		CCEDRM
Cc1noc(C)c1CCn1c(=O)[n-]cc(C#N)c1=O	ZINC000592354384	359823290	/nfs/dbraw/zinc/82/32/90/359823290.db2.gz	HZIJOYOHWJHHFV-UHFFFAOYSA-N	-1	0	260.253	0.256	20	30		CCEDRM
Cc1ccc(C#N)cc1NC(=O)C(=O)NCCCC(=O)[O-]	ZINC000592424354	359836228	/nfs/dbraw/zinc/83/62/28/359836228.db2.gz	LCRSEPZJTNPECY-UHFFFAOYSA-N	-1	0	289.291	0.786	20	30		CCEDRM
N#Cc1ccc(C(=O)N[C@@H](c2nnn[n-]2)c2ccccc2)[nH]1	ZINC000611201588	363680799	/nfs/dbraw/zinc/68/07/99/363680799.db2.gz	NGXWDTINJAFGCE-GFCCVEGCSA-N	-1	0	293.290	0.919	20	30		CCEDRM
C[C@@H]1C[C@@H](NC(=O)N=c2[n-]n(C)cc2C#N)CCO1	ZINC000611283189	363700671	/nfs/dbraw/zinc/70/06/71/363700671.db2.gz	LIUXTFNANAVGDR-SCZZXKLOSA-N	-1	0	263.301	0.403	20	30		CCEDRM
COCCN(C)S(=O)(=O)Nc1ccc(C#N)cc1OC	ZINC000563224412	291207306	/nfs/dbraw/zinc/20/73/06/291207306.db2.gz	LOHBOFTXWBHGGM-UHFFFAOYSA-N	-1	0	299.352	0.802	20	30		CCEDRM
N#CC[C@]1(O)CCN(C(=O)c2ccc([O-])c([N+](=O)[O-])c2)C1	ZINC000592847620	359953827	/nfs/dbraw/zinc/95/38/27/359953827.db2.gz	NZERGWIWBPNOAI-ZDUSSCGKSA-N	-1	0	291.263	0.791	20	30		CCEDRM
N#Cc1nc(NC(=O)c2cn(C3CCC3)nn2)[n-]c1C#N	ZINC000592946864	359991456	/nfs/dbraw/zinc/99/14/56/359991456.db2.gz	JVBXWJLLNPGZON-UHFFFAOYSA-N	-1	0	282.267	0.722	20	30		CCEDRM
C[C@@H](C#N)CN(C)S(=O)(=O)NC1([C@H](C)C(=O)[O-])CC1	ZINC000593273914	360059413	/nfs/dbraw/zinc/05/94/13/360059413.db2.gz	OBXRKAGVICJZAZ-DTWKUNHWSA-N	-1	0	289.357	0.166	20	30		CCEDRM
C=CCCn1cc(C[S@](=O)[C@H](C)C(=O)[O-])nn1	ZINC000593931873	360219713	/nfs/dbraw/zinc/21/97/13/360219713.db2.gz	NQIAJSMIQBHAGJ-RBHXEPJQSA-N	-1	0	257.315	0.576	20	30		CCEDRM
N#CCCCS(=O)(=O)N[C@@H](Cc1ccncc1)C(=O)[O-]	ZINC000593945093	360221558	/nfs/dbraw/zinc/22/15/58/360221558.db2.gz	GIAFKXSAMKROKQ-NSHDSACASA-N	-1	0	297.336	0.300	20	30		CCEDRM
CC(C)[C@H](CNC(=O)C(=O)NCC(C)(C)CC#N)C(=O)[O-]	ZINC000594531268	360327062	/nfs/dbraw/zinc/32/70/62/360327062.db2.gz	ZDOSYTNLBSAKHH-JTQLQIEISA-N	-1	0	297.355	0.515	20	30		CCEDRM
C=CCCSCCNC(=O)N[C@@H](COC)C(=O)[O-]	ZINC000594690573	360361081	/nfs/dbraw/zinc/36/10/81/360361081.db2.gz	LPGYMRUPJLNDGF-VIFPVBQESA-N	-1	0	276.358	0.695	20	30		CCEDRM
CN(CCC#N)S(=O)(=O)N(CC(=O)[O-])CC(C)(C)C	ZINC000594676238	360358105	/nfs/dbraw/zinc/35/81/05/360358105.db2.gz	ZRUHUUADLPKUGU-UHFFFAOYSA-N	-1	0	291.373	0.509	20	30		CCEDRM
CC12CC(C(=O)[O-])(C1)N(S(=O)(=O)CCCC#N)C2	ZINC000594674000	360358416	/nfs/dbraw/zinc/35/84/16/360358416.db2.gz	SYPPNBJZVSJJEO-UHFFFAOYSA-N	-1	0	272.326	0.559	20	30		CCEDRM
C[C@H](C#N)CN(C)C(=O)C(=O)Nc1cccnc1C(=O)[O-]	ZINC000595238426	360453940	/nfs/dbraw/zinc/45/39/40/360453940.db2.gz	RZTMLKVOHJOIHL-MRVPVSSYSA-N	-1	0	290.279	0.336	20	30		CCEDRM
N#Cc1ccc(OCC(=O)N[C@H]2CCO[C@H]2C(=O)[O-])cc1	ZINC000595244564	360455471	/nfs/dbraw/zinc/45/54/71/360455471.db2.gz	KSUWLAKILUTWOG-WCQYABFASA-N	-1	0	290.275	0.295	20	30		CCEDRM
N#Cc1cnc(N2CCO[C@@H](C(=O)[O-])C2)c(F)c1	ZINC000595966631	360741867	/nfs/dbraw/zinc/74/18/67/360741867.db2.gz	SCMGQKQEPXVMBC-SECBINFHSA-N	-1	0	251.217	0.382	20	30		CCEDRM
N#Cc1cc([N+](=O)[O-])cnc1N[C@@H]1C[C@H](C(=O)[O-])C[C@H]1O	ZINC000595978401	360754437	/nfs/dbraw/zinc/75/44/37/360754437.db2.gz	LNWRTRGYGSKKNQ-WQGWLQIFSA-N	-1	0	292.251	0.497	20	30		CCEDRM
N#CC1(CS(=O)(=O)N2CC3(CCC3)[C@@H]2C(=O)[O-])CC1	ZINC000596034984	360778802	/nfs/dbraw/zinc/77/88/02/360778802.db2.gz	PHOSJKNKEKAMLJ-VIFPVBQESA-N	-1	0	284.337	0.559	20	30		CCEDRM
C[C@@H](CC#N)NC(=O)c1cc(S(N)(=O)=O)ccc1[O-]	ZINC000596998713	360992100	/nfs/dbraw/zinc/99/21/00/360992100.db2.gz	PLCZEOWCQJXYSS-ZETCQYMHSA-N	-1	0	283.309	0.072	20	30		CCEDRM
C=CCCSCCNC(=O)N=c1ncn(C)[n-]1	ZINC000596918107	360978889	/nfs/dbraw/zinc/97/88/89/360978889.db2.gz	CGQOZFZVVLSHJX-UHFFFAOYSA-N	-1	0	255.347	0.668	20	30		CCEDRM
Cc1nc(=NC(=O)CC2(C#N)CCOCC2)s[n-]1	ZINC000597309149	361057831	/nfs/dbraw/zinc/05/78/31/361057831.db2.gz	FUYANGJKAZJDDM-UHFFFAOYSA-N	-1	0	266.326	0.917	20	30		CCEDRM
COC[C@@](C)(C#N)NC(=O)c1ccc2oc(=O)nc-2[n-]1	ZINC000597383283	361079691	/nfs/dbraw/zinc/07/96/91/361079691.db2.gz	YBXKOMBPVVQWFV-GFCCVEGCSA-N	-1	0	276.252	0.587	20	30		CCEDRM
N#CCCCNC(=O)c1cc(S(N)(=O)=O)ccc1[O-]	ZINC000597493796	361113693	/nfs/dbraw/zinc/11/36/93/361113693.db2.gz	FNAMUCPOMRGVER-UHFFFAOYSA-N	-1	0	283.309	0.073	20	30		CCEDRM
C=CCn1cc(C(=O)N[C@H]2CCCC[C@H]2C(=O)[O-])nn1	ZINC000621599886	366804758	/nfs/dbraw/zinc/80/47/58/366804758.db2.gz	OJKGPDOKMMRVMM-ZJUUUORDSA-N	-1	0	278.312	0.837	20	30		CCEDRM
N#Cc1ccc(CNC(=O)N2CC(C(=O)[O-])C2)c(F)c1	ZINC000598681368	361480656	/nfs/dbraw/zinc/48/06/56/361480656.db2.gz	VNXFLCYLFLLVKA-UHFFFAOYSA-N	-1	0	277.255	0.923	20	30		CCEDRM
COC(=O)c1cc(S(=O)(=O)[N-][C@@H]2CC[C@H](C#N)C2)on1	ZINC000599331553	361654339	/nfs/dbraw/zinc/65/43/39/361654339.db2.gz	GTKKMNOOZCAUQE-JGVFFNPUSA-N	-1	0	299.308	0.432	20	30		CCEDRM
C=C(C)CN(C)C(=O)C(=O)N=c1ccc(C2CC2)n[n-]1	ZINC000621703832	366845833	/nfs/dbraw/zinc/84/58/33/366845833.db2.gz	SKWHZOHCHNLIEM-UHFFFAOYSA-N	-1	0	274.324	0.749	20	30		CCEDRM
CN(CCC#N)S(=O)(=O)N1CCC[C@H]1CC(=O)[O-]	ZINC000614382046	364588864	/nfs/dbraw/zinc/58/88/64/364588864.db2.gz	HURIYLSQVYUCLR-VIFPVBQESA-N	-1	0	275.330	0.016	20	30		CCEDRM
CC1CCC(NC(=O)Cn2c(=O)[n-]cc(C#N)c2=O)CC1	ZINC000564967274	291327833	/nfs/dbraw/zinc/32/78/33/291327833.db2.gz	RJDLSIXZLJAJBN-UHFFFAOYSA-N	-1	0	290.323	0.103	20	30		CCEDRM
C=CCC[C@@H](NC(=O)c1noc2c1COCC2)C(=O)[O-]	ZINC000623176887	367464330	/nfs/dbraw/zinc/46/43/30/367464330.db2.gz	YQZNQIIKNDCGBK-SECBINFHSA-N	-1	0	280.280	0.897	20	30		CCEDRM
C=CCCS(=O)(=O)NCc1nocc1C(=O)[O-]	ZINC000656165186	412756497	/nfs/dbraw/zinc/75/64/97/412756497.db2.gz	NYYSOBSOESMNER-UHFFFAOYSA-N	-1	0	260.271	0.368	20	30		CCEDRM
N#CCCCS(=O)(=O)[N-]C(=O)CCC(F)F	ZINC000796810932	581451088	/nfs/dbraw/zinc/45/10/88/581451088.db2.gz	FTZWKSPZWXNIAK-UHFFFAOYSA-N	-1	0	254.258	0.781	20	30		CCEDRM
C=CC[C@@H]1CC[N@@H+]([C@@H]2CCN(CC(=O)[O-])C2=O)C1	ZINC000629500103	369684090	/nfs/dbraw/zinc/68/40/90/369684090.db2.gz	VRYTXRGKMIHOPG-GHMZBOCLSA-N	-1	0	252.314	0.570	20	30		CCEDRM
C=CCN(C(=O)C(=O)N1CC[C@@H](C(=O)[O-])[C@H](C)C1)C1CC1	ZINC000629776964	369773703	/nfs/dbraw/zinc/77/37/03/369773703.db2.gz	ZPLUORXAOAIWEA-ZYHUDNBSSA-N	-1	0	294.351	0.733	20	30		CCEDRM
C=CCOC[C@H](NC(=O)c1ccncc1)C(=O)[O-]	ZINC000630185749	369995743	/nfs/dbraw/zinc/99/57/43/369995743.db2.gz	FZICWNQAFZBEJE-JTQLQIEISA-N	-1	0	250.254	0.467	20	30		CCEDRM
C=CCOC[C@H](NC(=O)c1c[nH]cc1C)C(=O)[O-]	ZINC000630185784	369996089	/nfs/dbraw/zinc/99/60/89/369996089.db2.gz	GMPHKKMZJILLQX-JTQLQIEISA-N	-1	0	252.270	0.709	20	30		CCEDRM
C=CCOC[C@@H](NC(=O)c1cc[nH]c1C)C(=O)[O-]	ZINC000630186408	369996196	/nfs/dbraw/zinc/99/61/96/369996196.db2.gz	QNAARKGRXXMYHL-SNVBAGLBSA-N	-1	0	252.270	0.709	20	30		CCEDRM
C=CCOC[C@@H](NC(=O)[C@@H]1CCc2cccnc21)C(=O)[O-]	ZINC000630186853	369996304	/nfs/dbraw/zinc/99/63/04/369996304.db2.gz	CMAJZEXBTZMCHT-VXGBXAGGSA-N	-1	0	290.319	0.883	20	30		CCEDRM
C=CCOC[C@H](NC(=O)c1cnn(C(F)F)c1)C(=O)[O-]	ZINC000630188105	369996912	/nfs/dbraw/zinc/99/69/12/369996912.db2.gz	URBKCBROKWKOPV-QMMMGPOBSA-N	-1	0	289.238	0.664	20	30		CCEDRM
C=CCOC[C@H](NC(=O)C(C)(C)OCC)C(=O)[O-]	ZINC000630188416	369998331	/nfs/dbraw/zinc/99/83/31/369998331.db2.gz	WQAMIUWMGFPZGI-VIFPVBQESA-N	-1	0	259.302	0.574	20	30		CCEDRM
C=C[C@@H]1OCC[C@H]1CNC(=O)[C@H]1C[C@@H](C)[C@H](C(=O)[O-])O1	ZINC000630195096	370000583	/nfs/dbraw/zinc/00/05/83/370000583.db2.gz	FEIWUYPNIFKZMZ-YBXAARCKSA-N	-1	0	283.324	0.572	20	30		CCEDRM
C=C(C)C[C@@H](NC(=O)c1nc2ncc(C)cn2n1)C(=O)[O-]	ZINC000630322406	370046990	/nfs/dbraw/zinc/04/69/90/370046990.db2.gz	RWGSHAPSAHVIOH-SECBINFHSA-N	-1	0	289.295	0.582	20	30		CCEDRM
C=C(C)C[C@H](NC(=O)[C@H](C)NC(=O)c1ccoc1)C(=O)[O-]	ZINC000630327065	370047821	/nfs/dbraw/zinc/04/78/21/370047821.db2.gz	VSFRBBGKVVCVGU-ONGXEEELSA-N	-1	0	294.307	0.934	20	30		CCEDRM
C=CCC[C@@H](NC(=O)c1ccc(=O)n(C)c1)C(=O)[O-]	ZINC000630182970	369994318	/nfs/dbraw/zinc/99/43/18/369994318.db2.gz	QWLJXTSVSXHDCQ-SNVBAGLBSA-N	-1	0	264.281	0.535	20	30		CCEDRM
C=CCCn1cc(CN2C[C@H](OC)C[C@]2(C)C(=O)[O-])nn1	ZINC000634695199	372140885	/nfs/dbraw/zinc/14/08/85/372140885.db2.gz	QJAWWEQMGPBPPE-TZMCWYRMSA-N	-1	0	294.355	0.918	20	30		CCEDRM
C=C(C)[C@H]1OCC[C@@H]1CNC(=O)NCCOCC(=O)[O-]	ZINC000635513760	372576962	/nfs/dbraw/zinc/57/69/62/372576962.db2.gz	CXTLZICFGZRSCP-ZYHUDNBSSA-N	-1	0	286.328	0.368	20	30		CCEDRM
C=CCOCCCNC(=O)[C@H](C)O[C@@H](C)C(=O)[O-]	ZINC000656485351	412812229	/nfs/dbraw/zinc/81/22/29/412812229.db2.gz	CTOHMMWHWMTOJA-UWVGGRQHSA-N	-1	0	259.302	0.574	20	30		CCEDRM
C=C(C)[C@@H]1OCC[C@H]1CNC(=O)C[C@@]1(C(=O)[O-])CCOC1	ZINC000656483278	412811829	/nfs/dbraw/zinc/81/18/29/412811829.db2.gz	VGXCEZASCQIMIW-WHOFXGATSA-N	-1	0	297.351	0.965	20	30		CCEDRM
N#Cc1ccc(C(=O)N2CCC(c3n[nH]c(=O)[n-]3)CC2)[nH]1	ZINC000568767395	291621904	/nfs/dbraw/zinc/62/19/04/291621904.db2.gz	SUFMNGLSCQQHEP-UHFFFAOYSA-N	-1	0	286.295	0.730	20	30		CCEDRM
C=CCCNS(=O)(=O)c1csnc1C(=O)[O-]	ZINC000656717445	412846697	/nfs/dbraw/zinc/84/66/97/412846697.db2.gz	LUKQXASNINWWAF-UHFFFAOYSA-N	-1	0	262.312	0.696	20	30		CCEDRM
C=C(C)CS(=O)(=O)NC[C@H](CC(=O)[O-])C1CC1	ZINC000656723019	412847327	/nfs/dbraw/zinc/84/73/27/412847327.db2.gz	DNPBJNIZRLHSOS-JTQLQIEISA-N	-1	0	261.343	0.983	20	30		CCEDRM
CCCc1nc(Cn2c(=O)[n-]cc(C#N)c2=O)cs1	ZINC000516063085	249149791	/nfs/dbraw/zinc/14/97/91/249149791.db2.gz	LHIPVWILINNTRC-UHFFFAOYSA-N	-1	0	276.321	0.866	20	30		CCEDRM
N#Cc1ccc(S(=O)(=O)[N-]CC(F)(F)F)o1	ZINC000288618025	197128448	/nfs/dbraw/zinc/12/84/48/197128448.db2.gz	QBVYJVUQFDXEFR-UHFFFAOYSA-N	-1	0	254.189	0.992	20	30		CCEDRM
CCn1cc(S(=O)(=O)[N-]c2n[nH]cc2C#N)nc1C	ZINC000093337271	184666185	/nfs/dbraw/zinc/66/61/85/184666185.db2.gz	CBZLDELSBXTXLT-UHFFFAOYSA-N	-1	0	280.313	0.607	20	30		CCEDRM
C[C@@H](CN(C)S(=O)(=O)c1ccc(C#N)cc1)C(=O)[O-]	ZINC000042703643	388867472	/nfs/dbraw/zinc/86/74/72/388867472.db2.gz	VYVPPXASXIQUGQ-VIFPVBQESA-N	-1	0	282.321	0.899	20	30		CCEDRM
C#CCO[N-]C(=O)[C@@H]1CSCN1C(=O)CCC	ZINC000291140812	388918050	/nfs/dbraw/zinc/91/80/50/388918050.db2.gz	XVRNOEXGLMRTEQ-VIFPVBQESA-N	-1	0	256.327	0.369	20	30		CCEDRM
C#CCO[N-]C(=O)CNC(=O)CCC1CCCC1	ZINC000291157187	388918080	/nfs/dbraw/zinc/91/80/80/388918080.db2.gz	BXEVOWVXUZAXRN-UHFFFAOYSA-N	-1	0	252.314	0.754	20	30		CCEDRM
C=CCCCS(=O)(=O)[N-][C@@H](CF)C(=O)OC	ZINC000292312666	388947097	/nfs/dbraw/zinc/94/70/97/388947097.db2.gz	NKLVNIVLURTMSI-QMMMGPOBSA-N	-1	0	253.295	0.383	20	30		CCEDRM
C#Cc1cccc(NC(=O)C(=O)[N-]OC[C@H]2CCOC2)c1	ZINC000190780602	388999224	/nfs/dbraw/zinc/99/92/24/388999224.db2.gz	UFHMIZNUHOODMK-LBPRGKRZSA-N	-1	0	288.303	0.691	20	30		CCEDRM
COc1ccc(S(=O)(=O)[N-]c2n[nH]cc2C#N)cn1	ZINC000194798551	389104903	/nfs/dbraw/zinc/10/49/03/389104903.db2.gz	VOXCDORYVFXYLJ-UHFFFAOYSA-N	-1	0	279.281	0.486	20	30		CCEDRM
COC(=O)CCc1n[n-]c(=NC(=O)N[C@@H](C)CC#N)s1	ZINC000360347869	389196578	/nfs/dbraw/zinc/19/65/78/389196578.db2.gz	VQUPBOCSYBLVKA-ZETCQYMHSA-N	-1	0	297.340	0.489	20	30		CCEDRM
C=CC[C@H](CC)NC(=O)C(=O)N=c1ccc(OC)n[n-]1	ZINC000342236380	389202359	/nfs/dbraw/zinc/20/23/59/389202359.db2.gz	QCWTUECFRROGBH-VIFPVBQESA-N	-1	0	278.312	0.317	20	30		CCEDRM
CC(C)(CC(=O)[O-])NS(=O)(=O)c1ccc(C#N)nc1	ZINC000228697832	389154834	/nfs/dbraw/zinc/15/48/34/389154834.db2.gz	OMCUJQDPXPTCAD-UHFFFAOYSA-N	-1	0	283.309	0.485	20	30		CCEDRM
O=C(NC[C@H](O)C1CC1)c1cccn2c([O-])nnc12	ZINC000329332700	389157416	/nfs/dbraw/zinc/15/74/16/389157416.db2.gz	JUEMKPBWZMFNOZ-VIFPVBQESA-N	-1	0	262.269	0.510	20	30		CCEDRM
CC(C)Oc1ccc(=NC(=O)N[C@@]2(CO)CCOC2)[n-]n1	ZINC000330592136	389245281	/nfs/dbraw/zinc/24/52/81/389245281.db2.gz	ZRFLLUKTMOBFML-CYBMUJFWSA-N	-1	0	296.327	0.163	20	30		CCEDRM
CC#CCNC(=O)N=c1nc2nc(C)cc(C)n2[n-]1	ZINC000342721631	389248484	/nfs/dbraw/zinc/24/84/84/389248484.db2.gz	WSLIEIPDXPKIEH-UHFFFAOYSA-N	-1	0	258.285	0.308	20	30		CCEDRM
C=CC[C@@H](CO)CNC(=O)N=c1ccc(OC)n[n-]1	ZINC000346667837	389334358	/nfs/dbraw/zinc/33/43/58/389334358.db2.gz	GZCYRHOATPOWMZ-SECBINFHSA-N	-1	0	266.301	0.213	20	30		CCEDRM
N#Cc1ccc(CS(=O)(=O)c2n[n-]c(=N)s2)cc1	ZINC000350244185	389500226	/nfs/dbraw/zinc/50/02/26/389500226.db2.gz	ZMNVDOSJGLNRDG-UHFFFAOYSA-N	-1	0	280.334	0.796	20	30		CCEDRM
C=CCCn1cc(C(=O)N(C)C[C@@H](C)c2nnn[n-]2)nn1	ZINC000424780522	389632720	/nfs/dbraw/zinc/63/27/20/389632720.db2.gz	MZVIVKDTZTUUFU-SECBINFHSA-N	-1	0	290.331	0.243	20	30		CCEDRM
C=CCCn1cc(C(=O)NCCSCC(=O)[O-])nn1	ZINC000425239544	389642765	/nfs/dbraw/zinc/64/27/65/389642765.db2.gz	KTUAALHOUVSTMW-UHFFFAOYSA-N	-1	0	284.341	0.402	20	30		CCEDRM
N#Cc1cn(Cc2n[nH]c(=O)[n-]2)c2ccccc2c1=O	ZINC000351675569	389654899	/nfs/dbraw/zinc/65/48/99/389654899.db2.gz	NTGIAFBNQWBGPK-UHFFFAOYSA-N	-1	0	267.248	0.745	20	30		CCEDRM
CC[C@@H](C(=O)[O-])N(C)S(=O)(=O)c1cnc(C)c(C#N)c1	ZINC000380637774	389764242	/nfs/dbraw/zinc/76/42/42/389764242.db2.gz	JPDYGIAMRGPHTK-NSHDSACASA-N	-1	0	297.336	0.745	20	30		CCEDRM
N#Cc1cc(NCc2n[nH]c(=O)[n-]2)nc2ccccc12	ZINC000392583074	389774683	/nfs/dbraw/zinc/77/46/83/389774683.db2.gz	XSSIIPOFNWMKQV-UHFFFAOYSA-N	-1	0	266.264	0.964	20	30		CCEDRM
CC#CCN(C)C(=O)N=c1ccc(-c2ccnn2C)n[n-]1	ZINC000417299713	389809241	/nfs/dbraw/zinc/80/92/41/389809241.db2.gz	NKTMFSXQVPLLJL-UHFFFAOYSA-N	-1	0	284.323	0.786	20	30		CCEDRM
N#Cc1ccc(CNC(=O)[C@H]2CC[C@@H](C(=O)[O-])O2)cc1F	ZINC000404042203	389810087	/nfs/dbraw/zinc/81/00/87/389810087.db2.gz	AORIXZJEBCSTGU-NEPJUHHUSA-N	-1	0	292.266	0.946	20	30		CCEDRM
CC1(C#N)CN(S(=O)(=O)[N-]CC(F)(F)F)C1	ZINC000443211231	389875424	/nfs/dbraw/zinc/87/54/24/389875424.db2.gz	KYBBMWCBOFMBBU-UHFFFAOYSA-N	-1	0	257.237	0.229	20	30		CCEDRM
N#CCC1(CNC(=O)N=c2[n-]nc3ccccn32)CC1	ZINC000432053402	389871036	/nfs/dbraw/zinc/87/10/36/389871036.db2.gz	FQJUUPOCMUEXMQ-UHFFFAOYSA-N	-1	0	270.296	0.967	20	30		CCEDRM
C=C[C@H](C)NC(=O)c1cc(S(=O)(=O)N(C)C)ccc1[O-]	ZINC000436772261	389984955	/nfs/dbraw/zinc/98/49/55/389984955.db2.gz	DMBFUXNGDMMVCQ-VIFPVBQESA-N	-1	0	298.364	0.947	20	30		CCEDRM
Cc1nc(NCCCc2n[nH]c(=O)[n-]2)ccc1C#N	ZINC000488079420	390091652	/nfs/dbraw/zinc/09/16/52/390091652.db2.gz	KGVDFMWZUMCVPG-UHFFFAOYSA-N	-1	0	258.285	0.552	20	30		CCEDRM
C#C[C@H](C)N(C)C(=O)N=c1[n-]nc(CC(=O)OCC)s1	ZINC000491288814	390111527	/nfs/dbraw/zinc/11/15/27/390111527.db2.gz	VEXLNUHAUIZVDJ-QMMMGPOBSA-N	-1	0	296.352	0.551	20	30		CCEDRM
CC#CCS(=O)(=O)[N-]C(=O)/C=C/c1cnn(C)c1C	ZINC000493778413	390127624	/nfs/dbraw/zinc/12/76/24/390127624.db2.gz	BPCVCUAOIPDKMN-VOTSOKGWSA-N	-1	0	281.337	0.211	20	30		CCEDRM
CN(CCC#N)S(=O)(=O)N1CCC[C@H](CC(=O)[O-])C1	ZINC000535514077	390144875	/nfs/dbraw/zinc/14/48/75/390144875.db2.gz	QZQCVFVOCJDKKO-SNVBAGLBSA-N	-1	0	289.357	0.263	20	30		CCEDRM
C=CCn1cc(C(=O)N2CCC[C@@H](C)[C@H]2C(=O)[O-])nn1	ZINC000647743675	390156868	/nfs/dbraw/zinc/15/68/68/390156868.db2.gz	VVCPIHFDGHTEKM-KOLCDFICSA-N	-1	0	278.312	0.789	20	30		CCEDRM
CC1CC(C#N)(C(=O)N2CCC[C@@H](c3nnn[n-]3)C2)C1	ZINC000537123815	390173675	/nfs/dbraw/zinc/17/36/75/390173675.db2.gz	JTSOYHLTTXYLIM-RUETXSTFSA-N	-1	0	274.328	0.846	20	30		CCEDRM
CO[C@@H](CS(=O)(=O)[N-]c1ccc(C#N)c(C)n1)C1CC1	ZINC000582062472	390256936	/nfs/dbraw/zinc/25/69/36/390256936.db2.gz	KXCDNFIQBDBWEW-LBPRGKRZSA-N	-1	0	295.364	0.850	20	30		CCEDRM
CC#CC[C@H](NS(=O)(=O)N1CC[C@@H](C)C1)C(=O)[O-]	ZINC000542857878	390273773	/nfs/dbraw/zinc/27/37/73/390273773.db2.gz	BHLIGIZBZHCPGJ-ZJUUUORDSA-N	-1	0	274.342	0.029	20	30		CCEDRM
CC(=O)c1ncc(C(=O)N=c2[n-]n(C)c(C)c2C#N)s1	ZINC000648434627	390372362	/nfs/dbraw/zinc/37/23/62/390372362.db2.gz	SRGKWQXOKXIQCI-UHFFFAOYSA-N	-1	0	289.320	0.934	20	30		CCEDRM
CC(C)(C)OC(=O)N1CCC(=NNCC(=O)[O-])C1	ZINC000496949888	390390859	/nfs/dbraw/zinc/39/08/59/390390859.db2.gz	NFRYHRQMLINEKU-UHFFFAOYSA-N	-1	0	257.290	0.657	20	30		CCEDRM
C=C[C@@H](CCC(=O)[O-])NS(=O)(=O)N(C)CC1CC1	ZINC000518478945	390493210	/nfs/dbraw/zinc/49/32/10/390493210.db2.gz	VTCHAJAYTHANBZ-JTQLQIEISA-N	-1	0	276.358	0.582	20	30		CCEDRM
C=CCn1cc(CNC(=O)N=c2ccc(OC)n[n-]2)nn1	ZINC000564887501	390498015	/nfs/dbraw/zinc/49/80/15/390498015.db2.gz	PFIKSVNPSHOPGA-UHFFFAOYSA-N	-1	0	289.299	0.006	20	30		CCEDRM
C=CCCCNC(=O)C(=O)N1CC[C@H](C)[C@@H](C(=O)[O-])C1	ZINC000564987611	390498738	/nfs/dbraw/zinc/49/87/38/390498738.db2.gz	ZOGGJELFRUFZEQ-QWRGUYRKSA-N	-1	0	282.340	0.638	20	30		CCEDRM
C=CCCCNC(=O)C(=O)N1CC[C@@H](C)[C@@H](C(=O)[O-])C1	ZINC000564987610	390498879	/nfs/dbraw/zinc/49/88/79/390498879.db2.gz	ZOGGJELFRUFZEQ-MNOVXSKESA-N	-1	0	282.340	0.638	20	30		CCEDRM
C=CCN=c1[n-]nc(SCC(=O)c2cnnn2C)s1	ZINC000505443399	390462401	/nfs/dbraw/zinc/46/24/01/390462401.db2.gz	HUFCOUCPMKXQJM-UHFFFAOYSA-N	-1	0	296.381	0.661	20	30		CCEDRM
N#CC1(CS(=O)(=O)N2CC[C@H](CC(=O)[O-])C2)CC1	ZINC000555713093	390462397	/nfs/dbraw/zinc/46/23/97/390462397.db2.gz	MFGLCNAXFVPSDO-SECBINFHSA-N	-1	0	272.326	0.417	20	30		CCEDRM
C=CCOC[C@@H](NC(=O)NCc1cnc(C)s1)C(=O)[O-]	ZINC000515200189	390473014	/nfs/dbraw/zinc/47/30/14/390473014.db2.gz	HUATUCXYLJYFTR-SNVBAGLBSA-N	-1	0	299.352	0.907	20	30		CCEDRM
C=CCC[C@@H](NS(=O)(=O)C[C@@H](C)OC)C(=O)[O-]	ZINC000516179297	390479964	/nfs/dbraw/zinc/47/99/64/390479964.db2.gz	KJDWQZLKOOLKII-RKDXNWHRSA-N	-1	0	265.331	0.360	20	30		CCEDRM
C[C@]1(C(=O)[O-])CCN(S(=O)(=O)CC2(C#N)CCC2)C1	ZINC000516430951	390481452	/nfs/dbraw/zinc/48/14/52/390481452.db2.gz	YZEUNVUFBAVYCO-NSHDSACASA-N	-1	0	286.353	0.807	20	30		CCEDRM
C=CC[C@H](NS(=O)(=O)[C@H]1CCO[C@@H](C)C1)C(=O)[O-]	ZINC000646041042	390579958	/nfs/dbraw/zinc/57/99/58/390579958.db2.gz	KDWREPGVNCDZDI-GUBZILKMSA-N	-1	0	277.342	0.503	20	30		CCEDRM
C=CCn1cc(C(=O)N[C@H](C(=O)[O-])C2CC2)nn1	ZINC000649244868	390535345	/nfs/dbraw/zinc/53/53/45/390535345.db2.gz	ZHNPZIIJGSASNR-VIFPVBQESA-N	-1	0	250.258	0.057	20	30		CCEDRM
C=CCn1cc(C(=O)N[C@H]2CCC[C@H]2C(=O)[O-])nn1	ZINC000649250271	390537463	/nfs/dbraw/zinc/53/74/63/390537463.db2.gz	XQCAWJQWIYYEDO-BDAKNGLRSA-N	-1	0	264.285	0.447	20	30		CCEDRM
C=CC1CCN(S(=O)(=O)N(C)CCC(=O)[O-])CC1	ZINC000645968223	390552587	/nfs/dbraw/zinc/55/25/87/390552587.db2.gz	REJXIKMKYCEIQV-UHFFFAOYSA-N	-1	0	276.358	0.536	20	30		CCEDRM
C=CCN(CC(=O)[O-])S(=O)(=O)CCOC(F)(F)F	ZINC000520467368	390576515	/nfs/dbraw/zinc/57/65/15/390576515.db2.gz	OUIRPOVDCFFHNR-UHFFFAOYSA-N	-1	0	291.247	0.425	20	30		CCEDRM
CC#CC[C@H](CO)NC(=O)N=c1[n-]nc(CC)s1	ZINC000646172283	390623783	/nfs/dbraw/zinc/62/37/83/390623783.db2.gz	JIUGXAGVKXUFKE-MRVPVSSYSA-N	-1	0	268.342	0.418	20	30		CCEDRM
N#CCC(=O)N1CCN(C(=O)c2c([O-])cccc2F)CC1	ZINC000566806622	390650929	/nfs/dbraw/zinc/65/09/29/390650929.db2.gz	VEEMVTQZXNBSFN-UHFFFAOYSA-N	-1	0	291.282	0.729	20	30		CCEDRM
CCN([C@H](C)CC(=O)[O-])S(=O)(=O)N(C)[C@H](C)CC#N	ZINC000566313711	390596561	/nfs/dbraw/zinc/59/65/61/390596561.db2.gz	MWCQRJDGOLHLQC-NXEZZACHSA-N	-1	0	291.373	0.650	20	30		CCEDRM
Cc1cc(C(=O)NC[C@@H](C)C#N)[nH]c2nc(=O)[n-]c(=O)c1-2	ZINC000525194595	390660849	/nfs/dbraw/zinc/66/08/49/390660849.db2.gz	MHCCQFSOPYJAFP-LURJTMIESA-N	-1	0	287.279	0.634	20	30		CCEDRM
N#CCCn1ccc(=NC(=O)N=c2ccc(C3CC3)n[n-]2)[nH]1	ZINC000527055892	390690233	/nfs/dbraw/zinc/69/02/33/390690233.db2.gz	QJFBTRPHNXOIRR-UHFFFAOYSA-N	-1	0	297.322	0.952	20	30		CCEDRM
C[C@H](C#N)CN(C)C(=O)C(=O)N1CC[C@@H](C)[C@H](C(=O)[O-])C1	ZINC000578131913	390865906	/nfs/dbraw/zinc/86/59/06/390865906.db2.gz	DBNDGSPUJIBVRW-GMTAPVOTSA-N	-1	0	295.339	0.174	20	30		CCEDRM
C=CCN=c1[n-]nc(Sc2nccn3nnnc23)s1	ZINC000530907155	390877813	/nfs/dbraw/zinc/87/78/13/390877813.db2.gz	MBRONRNEHGTOLN-UHFFFAOYSA-N	-1	0	292.353	0.542	20	30		CCEDRM
COc1ccc(=NC(=O)NC2(CO)CCC2)[n-]n1	ZINC000329144606	533251201	/nfs/dbraw/zinc/25/12/01/533251201.db2.gz	WLGHDCIEXZWQEU-UHFFFAOYSA-N	-1	0	252.274	0.148	20	30		CCEDRM
CC(C)(C#N)CC(=O)[N-]S(=O)(=O)[C@@H]1CCOC1	ZINC000786416218	581599805	/nfs/dbraw/zinc/59/98/05/581599805.db2.gz	ABMGZBVYAHVVSB-MRVPVSSYSA-N	-1	0	260.315	0.161	20	30		CCEDRM
C[C@@H](NC(=O)[O-])C(=O)NCc1ccc(OCC#N)cc1	ZINC000738992961	581113893	/nfs/dbraw/zinc/11/38/93/581113893.db2.gz	DOGZDOBFZUOEKR-SECBINFHSA-N	-1	0	277.280	0.861	20	30		CCEDRM
C=CCCO[C@@H](C)C(=O)N(CCOC)CC(=O)[O-]	ZINC000262494438	131226259	/nfs/dbraw/zinc/22/62/59/131226259.db2.gz	XYUPUPOTYZXZNB-JTQLQIEISA-N	-1	0	259.302	0.527	20	30		CCEDRM
COc1cc(C#N)ccc1OCC(=O)N(C)CCC(=O)[O-]	ZINC000262966092	131277012	/nfs/dbraw/zinc/27/70/12/131277012.db2.gz	KWEKLTSNHKLASX-UHFFFAOYSA-N	-1	0	292.291	0.879	20	30		CCEDRM
O=C(N=c1cn[n-]s1)N1CCOC[C@@H]1[C@H]1CCC[C@H]1O	ZINC000329032547	397450784	/nfs/dbraw/zinc/45/07/84/397450784.db2.gz	LTZCBWMELIDVLA-OPRDCNLKSA-N	-1	0	298.368	0.945	20	30		CCEDRM
Cc1n[nH]cc1[N-]S(=O)(=O)c1cncc(C#N)c1	ZINC000357378644	144086413	/nfs/dbraw/zinc/08/64/13/144086413.db2.gz	APBWVOQAGMDLFZ-UHFFFAOYSA-N	-1	0	263.282	0.786	20	30		CCEDRM
C=CCC(C)(C)C(=O)N=c1ccc(C(=O)NC)n[n-]1	ZINC000650818589	397767331	/nfs/dbraw/zinc/76/73/31/397767331.db2.gz	QNCOTMSCOBZKHC-UHFFFAOYSA-N	-1	0	262.313	0.799	20	30		CCEDRM
C=CCC[C@@H](NC(=O)c1nn(C)cc1C)C(=O)[O-]	ZINC000659152704	413315293	/nfs/dbraw/zinc/31/52/93/413315293.db2.gz	CDXGNNJVXNGSBO-SECBINFHSA-N	-1	0	251.286	0.878	20	30		CCEDRM
CC[C@@H](NS(=O)(=O)Cc1cccc(C#N)c1)C(=O)[O-]	ZINC000035410721	172181626	/nfs/dbraw/zinc/18/16/26/172181626.db2.gz	NLWZYULNTTYOTD-LLVKDONJSA-N	-1	0	282.321	0.841	20	30		CCEDRM
C=CC[C@H]1CCCN(C(=O)C(=O)NC[C@@H](C)C(=O)[O-])C1	ZINC000659661971	413760632	/nfs/dbraw/zinc/76/06/32/413760632.db2.gz	NSFNFIZEFHPGPU-MNOVXSKESA-N	-1	0	282.340	0.638	20	30		CCEDRM
Cc1nc(C(=O)N2CCC[C@H]2C(=O)[O-])ccc1C#N	ZINC000037435267	173205967	/nfs/dbraw/zinc/20/59/67/173205967.db2.gz	FWZLBZOTLMNBRE-NSHDSACASA-N	-1	0	259.265	0.951	20	30		CCEDRM
N#Cc1ccccc1S(=O)(=O)N1CC(C(=O)[O-])C1	ZINC000071173321	176053100	/nfs/dbraw/zinc/05/31/00/176053100.db2.gz	SPNZNZOHFVGOAD-UHFFFAOYSA-N	-1	0	266.278	0.263	20	30		CCEDRM
CN(CC(=O)[O-])S(=O)(=O)c1ccc(F)c(C#N)c1	ZINC000071238227	176093865	/nfs/dbraw/zinc/09/38/65/176093865.db2.gz	KPSJXRGQQJGISX-UHFFFAOYSA-N	-1	0	272.257	0.402	20	30		CCEDRM
C[C@]12CCC(=O)N1[C@@H](C(=O)NCc1n[nH]c(=O)[n-]1)CS2	ZINC000330035614	228023637	/nfs/dbraw/zinc/02/36/37/228023637.db2.gz	BVTCVLRRQLWSLI-KBUNVGBDSA-N	-1	0	297.340	0.421	20	30		CCEDRM
C=CC[C@H](NS(=O)(=O)N1CCC(C)CC1)C(=O)[O-]	ZINC000161280353	544706008	/nfs/dbraw/zinc/70/60/08/544706008.db2.gz	WFSPQCAJFSUVHX-JTQLQIEISA-N	-1	0	276.358	0.582	20	30		CCEDRM
C=CCOCCNC(=O)N1CCC[C@@H](C(=O)[O-])C1	ZINC000306054191	545009357	/nfs/dbraw/zinc/00/93/57/545009357.db2.gz	UFUAHWQNQIXJCG-SNVBAGLBSA-N	-1	0	256.302	0.695	20	30		CCEDRM
NC(=O)[C@@H]1CC[C@@H](C/N=C/c2cc([N+](=O)[O-])ccc2[O-])O1	ZINC000159838939	261195384	/nfs/dbraw/zinc/19/53/84/261195384.db2.gz	PASGJSFKHHUFQA-LNFBCJDMSA-N	-1	0	293.279	0.752	20	30		CCEDRM
N#C[C@@H]1CN(C(=O)c2ccc([N+](=O)[O-])c([O-])c2)CCO1	ZINC000106292487	261369159	/nfs/dbraw/zinc/36/91/59/261369159.db2.gz	ALZSCYKNFAQODB-SECBINFHSA-N	-1	0	277.236	0.665	20	30		CCEDRM
N#CCN1CCN(C(=O)c2cc(F)c([O-])c(F)c2)CC1	ZINC000186823803	262111329	/nfs/dbraw/zinc/11/13/29/262111329.db2.gz	XLRVVUROAKTKDN-UHFFFAOYSA-N	-1	0	281.262	0.952	20	30		CCEDRM
CC(C)([N-]C(=O)C(F)(F)F)C(=O)NCCCC#N	ZINC000277366493	263040799	/nfs/dbraw/zinc/04/07/99/263040799.db2.gz	BHKKIVUMQMXIAL-UHFFFAOYSA-N	-1	0	265.235	0.863	20	30		CCEDRM
CCS(=O)(=O)c1ccc([O-])c(NC(=O)/C=N/OC)c1	ZINC000283094092	263081060	/nfs/dbraw/zinc/08/10/60/263081060.db2.gz	BTZKXSBGRBOLCA-KPKJPENVSA-N	-1	0	286.309	0.757	20	30		CCEDRM
C=C(C)C[N-]S(=O)(=O)c1scnc1C(=O)OC	ZINC000122513537	263302404	/nfs/dbraw/zinc/30/24/04/263302404.db2.gz	BKSUTFOWUUQNDR-UHFFFAOYSA-N	-1	0	276.339	0.784	20	30		CCEDRM
Cc1cc(C)n2[n-]c(=NC(=O)NCCCC#N)nc2n1	ZINC000342348545	263416828	/nfs/dbraw/zinc/41/68/28/263416828.db2.gz	VQVHOYIGKVUTAC-UHFFFAOYSA-N	-1	0	273.300	0.588	20	30		CCEDRM
Cc1cc(N=C([O-])[C@@H]2COCCN2C)cn(C)c1=O	ZINC000328961640	263908622	/nfs/dbraw/zinc/90/86/22/263908622.db2.gz	KTPLJKXJBIAXEJ-NSHDSACASA-N	-1	0	265.313	0.612	20	30		CCEDRM
CC[C@@H](C)N(CC(=O)[O-])S(=O)(=O)N(C)[C@@H](C)CC#N	ZINC000417414471	264228124	/nfs/dbraw/zinc/22/81/24/264228124.db2.gz	CYLVTAZHHHDJNC-ZJUUUORDSA-N	-1	0	291.373	0.650	20	30		CCEDRM
C#CC[C@@H](NS(=O)(=O)c1ccccc1C)C(=O)[O-]	ZINC000161243894	264279215	/nfs/dbraw/zinc/27/92/15/264279215.db2.gz	BZGKDMHWMUBABA-SNVBAGLBSA-N	-1	0	267.306	0.750	20	30		CCEDRM
C=CCCn1cc(C(=O)N=c2cc(C)c(C)n[n-]2)nn1	ZINC000425503316	264364078	/nfs/dbraw/zinc/36/40/78/264364078.db2.gz	INGLKKMNLRBGPN-UHFFFAOYSA-N	-1	0	272.312	0.935	20	30		CCEDRM
CC#CC[C@@H](NC(=O)N(CCOC)CCOC)C(=O)[O-]	ZINC000283826548	264527967	/nfs/dbraw/zinc/52/79/67/264527967.db2.gz	GHOUOICCODLMGL-LLVKDONJSA-N	-1	0	286.328	0.157	20	30		CCEDRM
CC[C@@H](C)NC(=O)N1CC(n2cc(C#N)c(=O)[n-]c2=O)C1	ZINC000527642279	267187201	/nfs/dbraw/zinc/18/72/01/267187201.db2.gz	ZAAIRNDWGOGCCX-MRVPVSSYSA-N	-1	0	291.311	0.185	20	30		CCEDRM
CC(C)(C)S(=O)(=O)CC(=O)Nc1nc(C#N)c(C#N)[n-]1	ZINC000350144882	278478428	/nfs/dbraw/zinc/47/84/28/278478428.db2.gz	VIPXEVXQWKVJFP-UHFFFAOYSA-N	-1	0	295.324	0.305	20	30		CCEDRM
COc1ccc(=NC(=O)N[C@H]2CCC[C@H]2C#N)[n-]n1	ZINC000346679121	295074464	/nfs/dbraw/zinc/07/44/64/295074464.db2.gz	ZBZPWEDVHRONOE-IUCAKERBSA-N	-1	0	261.285	0.721	20	30		CCEDRM
C=C(C)[C@H](CC(=O)[N-]S(=O)(=O)CCOC)OCC	ZINC000756565981	581928733	/nfs/dbraw/zinc/92/87/33/581928733.db2.gz	XVZVVLOKDNAPFW-JTQLQIEISA-N	-1	0	279.358	0.450	20	30		CCEDRM
CN(CCC#N)S(=O)(=O)N1[C@H](C(=O)[O-])CCC1(C)C	ZINC000562968422	327618592	/nfs/dbraw/zinc/61/85/92/327618592.db2.gz	WTPTZJUNUXNRBM-VIFPVBQESA-N	-1	0	289.357	0.404	20	30		CCEDRM
C=C[C@@H](CCC(=O)[O-])NS(=O)(=O)c1cncn1CC	ZINC000562982505	327733525	/nfs/dbraw/zinc/73/35/25/327733525.db2.gz	NKUVIBCWDXFXOD-VIFPVBQESA-N	-1	0	287.341	0.601	20	30		CCEDRM
C[C@H](C(=O)[O-])C1CN(S(=O)(=O)CC2(CC#N)CC2)C1	ZINC000563227423	327982894	/nfs/dbraw/zinc/98/28/94/327982894.db2.gz	WBTXEOSTYSBEEK-VIFPVBQESA-N	-1	0	286.353	0.663	20	30		CCEDRM
C[C@@H](C#N)CN(C)S(=O)(=O)N[C@@H](C(=O)[O-])C(C)(C)C	ZINC000576403715	327030804	/nfs/dbraw/zinc/03/08/04/327030804.db2.gz	XHHCXMBHPJKZLN-IUCAKERBSA-N	-1	0	291.373	0.412	20	30		CCEDRM
CC[C@H]1[C@@H](C(=O)[O-])CCN1S(=O)(=O)CC1(C#N)CC1	ZINC000558469009	327096434	/nfs/dbraw/zinc/09/64/34/327096434.db2.gz	MFGUWBXNSIOZJP-UWVGGRQHSA-N	-1	0	286.353	0.805	20	30		CCEDRM
C=CCn1cc(CNC(=O)N2CC[C@@](C)(C(=O)[O-])C2)nn1	ZINC000566105039	327136404	/nfs/dbraw/zinc/13/64/04/327136404.db2.gz	XSGVFGLMSKNYMV-CYBMUJFWSA-N	-1	0	293.327	0.470	20	30		CCEDRM
C=CCCS(=O)(=O)N(CC(=O)[O-])C1CCOCC1	ZINC000564921564	327148560	/nfs/dbraw/zinc/14/85/60/327148560.db2.gz	HTTFENBDWOZGPU-UHFFFAOYSA-N	-1	0	277.342	0.458	20	30		CCEDRM
CC[C@](C)(CNS(=O)(=O)N(C)[C@@H](C)CC#N)C(=O)[O-]	ZINC000566313456	327304592	/nfs/dbraw/zinc/30/45/92/327304592.db2.gz	WSVJTPNADOWLJV-GXSJLCMTSA-N	-1	0	291.373	0.556	20	30		CCEDRM
C=CCCCS(=O)(=O)N[C@H](C(=O)[O-])[C@@H]1CCOC1	ZINC000574822428	327383301	/nfs/dbraw/zinc/38/33/01/327383301.db2.gz	VNSYVWFQGAGROP-ZJUUUORDSA-N	-1	0	277.342	0.362	20	30		CCEDRM
C=CCn1cc(CNC(=O)C2(C(=O)[O-])CCC2)nn1	ZINC000570282219	327581051	/nfs/dbraw/zinc/58/10/51/327581051.db2.gz	GGCHPHVLVOIKKB-UHFFFAOYSA-N	-1	0	264.285	0.335	20	30		CCEDRM
Cn1[n-]nnc1=N[C@@H]1CCCc2cc(C#N)ccc21	ZINC000582231510	328825509	/nfs/dbraw/zinc/82/55/09/328825509.db2.gz	DWXFYKOUJWFRFM-GFCCVEGCSA-N	-1	0	254.297	0.993	20	30		CCEDRM
N#Cc1c[n-]c(=O)n(CC(=O)C2(c3ccccc3)CC2)c1=O	ZINC000584469441	329492832	/nfs/dbraw/zinc/49/28/32/329492832.db2.gz	FMYDLJWJNRKUQM-UHFFFAOYSA-N	-1	0	295.298	0.709	20	30		CCEDRM
C=CCn1cc(CNC(=O)CC2(C(=O)[O-])CCC2)nn1	ZINC000425255932	329651303	/nfs/dbraw/zinc/65/13/03/329651303.db2.gz	NOWIRPQRILFUJW-UHFFFAOYSA-N	-1	0	278.312	0.725	20	30		CCEDRM
C=C(C)CS(=O)(=O)N1CC[C@@H](C)[C@H](C(=O)[O-])C1	ZINC000572121719	329946349	/nfs/dbraw/zinc/94/63/49/329946349.db2.gz	NXRNFDGORBJKPR-NXEZZACHSA-N	-1	0	261.343	0.935	20	30		CCEDRM
C=CCSCCNC(=O)N[C@H](CF)C(=O)[O-]	ZINC000581056010	330004276	/nfs/dbraw/zinc/00/42/76/330004276.db2.gz	ABMJXYRMZJRFJI-SSDOTTSWSA-N	-1	0	250.295	0.628	20	30		CCEDRM
CC(C)C[C@H](CNS(=O)(=O)CC1(C#N)CC1)C(=O)[O-]	ZINC000262422371	330009467	/nfs/dbraw/zinc/00/94/67/330009467.db2.gz	BOSITEFVUWYAPU-SNVBAGLBSA-N	-1	0	288.369	0.956	20	30		CCEDRM
N#CCCCCS(=O)(=O)N1CCCC[C@H]1C(=O)[O-]	ZINC000262685059	330026971	/nfs/dbraw/zinc/02/69/71/330026971.db2.gz	USGJGEIVBZTJOL-JTQLQIEISA-N	-1	0	274.342	0.949	20	30		CCEDRM
C=CCC[C@@H](NC(=O)c1ccc(OC)nn1)C(=O)[O-]	ZINC000262851351	330035422	/nfs/dbraw/zinc/03/54/22/330035422.db2.gz	HVQASCUBSSBOHF-SECBINFHSA-N	-1	0	265.269	0.634	20	30		CCEDRM
C=CCOC[C@@H](NC(=O)c1ccc(C)n1C)C(=O)[O-]	ZINC000262913905	330036831	/nfs/dbraw/zinc/03/68/31/330036831.db2.gz	FNLWYKBZLWGFSO-SNVBAGLBSA-N	-1	0	266.297	0.719	20	30		CCEDRM
C=CCOC[C@@H](NC(=O)c1cscn1)C(=O)[O-]	ZINC000262987632	330038179	/nfs/dbraw/zinc/03/81/79/330038179.db2.gz	LFBMIYKVTQVBFR-SSDOTTSWSA-N	-1	0	256.283	0.529	20	30		CCEDRM
C=CCC[C@H](NC(=O)c1cc(OC)no1)C(=O)[O-]	ZINC000263037937	330040134	/nfs/dbraw/zinc/04/01/34/330040134.db2.gz	ZIYDTMMJDQNTCB-ZETCQYMHSA-N	-1	0	254.242	0.832	20	30		CCEDRM
C#C[C@H](NC(=O)N1CCC[C@H](C(=O)[O-])C1)[C@H]1CCCO1	ZINC000263323072	330052269	/nfs/dbraw/zinc/05/22/69/330052269.db2.gz	AUZSTCSLNRXGSY-SDDRHHMPSA-N	-1	0	280.324	0.673	20	30		CCEDRM
C#C[C@H](NC(=O)N1CC[C@@](C)(C(=O)[O-])C1)[C@@H]1CCCO1	ZINC000263341224	330052606	/nfs/dbraw/zinc/05/26/06/330052606.db2.gz	FKGGNFGTDRPLSK-COPLHBTASA-N	-1	0	280.324	0.673	20	30		CCEDRM
C=C(C)[C@H]1OCC[C@@H]1CNC(=O)NCCC(=O)[O-]	ZINC000263413132	330054620	/nfs/dbraw/zinc/05/46/20/330054620.db2.gz	VIDWSNJJIZMROB-MWLCHTKSSA-N	-1	0	256.302	0.742	20	30		CCEDRM
CCN(C[C@@H](C)C#N)S(=O)(=O)N1CC[C@H](C(=O)[O-])C1	ZINC000263557137	330059431	/nfs/dbraw/zinc/05/94/31/330059431.db2.gz	PATJGJRVUJITHM-UWVGGRQHSA-N	-1	0	289.357	0.119	20	30		CCEDRM
CC(C)[C@@H](NS(=O)(=O)CC1(CC#N)CC1)C(=O)[O-]	ZINC000263563095	330059753	/nfs/dbraw/zinc/05/97/53/330059753.db2.gz	TVFCLDIESXKQKH-SECBINFHSA-N	-1	0	274.342	0.709	20	30		CCEDRM
C=CCCS(=O)(=O)NC[C@@](C)(O)C(F)(F)F	ZINC000270441243	330075345	/nfs/dbraw/zinc/07/53/45/330075345.db2.gz	AHWWMDOSURAEQD-SSDOTTSWSA-N	-1	0	261.265	0.795	20	30		CCEDRM
C=C[C@@H]1OCC[C@H]1CN=c1ccc(C(=O)OC)n[n-]1	ZINC000425284053	330146023	/nfs/dbraw/zinc/14/60/23/330146023.db2.gz	QANVRLHDEDGBEN-ONGXEEELSA-N	-1	0	263.297	0.688	20	30		CCEDRM
C=C(C)CN(CC)C(=O)C(=O)N1C[C@@H](C)[C@H](C(=O)[O-])C1	ZINC000422711394	330151371	/nfs/dbraw/zinc/15/13/71/330151371.db2.gz	NAZJSEDTTNQRAQ-GHMZBOCLSA-N	-1	0	282.340	0.590	20	30		CCEDRM
C=C(C)CN(C)C(=O)C(=O)N1C[C@@H]2CCC[C@@]2(C(=O)[O-])C1	ZINC000422858902	330157649	/nfs/dbraw/zinc/15/76/49/330157649.db2.gz	JHDZQWWIJAVCDO-XHDPSFHLSA-N	-1	0	294.351	0.734	20	30		CCEDRM
C=C[C@H]1CCCCN1C(=O)C(=O)N1CC[C@](C)(C(=O)[O-])C1	ZINC000422905009	330159520	/nfs/dbraw/zinc/15/95/20/330159520.db2.gz	HMHKPSHQLBJUPQ-NHYWBVRUSA-N	-1	0	294.351	0.877	20	30		CCEDRM
C=CCn1cc(CNC(=O)N(C)CCCC(=O)[O-])nn1	ZINC000424400207	330350201	/nfs/dbraw/zinc/35/02/01/330350201.db2.gz	SZZQSZWJMRDDPC-UHFFFAOYSA-N	-1	0	281.316	0.470	20	30		CCEDRM
C=CCC[C@H](CO)NC(=O)N=c1nc2ccccn2[n-]1	ZINC000455103687	331160785	/nfs/dbraw/zinc/16/07/85/331160785.db2.gz	LIWPIDVKSDFHGQ-SNVBAGLBSA-N	-1	0	275.312	0.600	20	30		CCEDRM
C=CCn1cccc1C(=O)NCCc1nc(=N)[n-]o1	ZINC000488734224	332023268	/nfs/dbraw/zinc/02/32/68/332023268.db2.gz	MVRAXCAYSDPDMU-UHFFFAOYSA-N	-1	0	261.285	0.442	20	30		CCEDRM
C#CCN(C(=O)c1cnc([O-])n(C)c1=O)C1CCCCC1	ZINC000490779785	332114953	/nfs/dbraw/zinc/11/49/53/332114953.db2.gz	ZFEIOIZPQROABS-UHFFFAOYSA-N	-1	0	289.335	0.894	20	30		CCEDRM
C#CC[N-]S(=O)(=O)c1c(F)cc(C#N)cc1F	ZINC000490819586	332117570	/nfs/dbraw/zinc/11/75/70/332117570.db2.gz	JFQGFTXNONLMTL-UHFFFAOYSA-N	-1	0	256.233	0.748	20	30		CCEDRM
C#CCN(C)C(=O)C(=O)N=c1[n-]nc(C(C)(C)C)s1	ZINC000491122262	332152675	/nfs/dbraw/zinc/15/26/75/332152675.db2.gz	UUUDJNYEJGBCEK-UHFFFAOYSA-N	-1	0	280.353	0.288	20	30		CCEDRM
C#C[C@H](C)N(C)C(=O)C(C)(C)[N-]C(=O)C(F)(F)F	ZINC000491812403	332364444	/nfs/dbraw/zinc/36/44/44/332364444.db2.gz	FDNLZVCMCCGNQF-ZETCQYMHSA-N	-1	0	264.247	0.924	20	30		CCEDRM
C#C[C@H](CC)NC(=O)c1c[nH]c2nc(=O)[n-]c(=O)c-2c1	ZINC000491818430	332368576	/nfs/dbraw/zinc/36/85/76/332368576.db2.gz	YTOUEJAGFVMHIQ-MRVPVSSYSA-N	-1	0	272.264	0.578	20	30		CCEDRM
COC[C@@](C)(C#N)NC(=O)/C=C/c1cncc(O)c1	ZINC000492470064	332398998	/nfs/dbraw/zinc/39/89/98/332398998.db2.gz	DRDCRYIGWCHDCQ-ITDFMYJTSA-N	-1	0	261.281	0.845	20	30		CCEDRM
C=CCOC[C@H](NC(=O)/C=C\c1ccnn1CC)C(=O)[O-]	ZINC000493298170	332434467	/nfs/dbraw/zinc/43/44/67/332434467.db2.gz	UWZMSKGIXZEQNO-FJOGCWAESA-N	-1	0	293.323	0.688	20	30		CCEDRM
CC(C)[C@@H](C(=O)[O-])[C@H](C)NS(=O)(=O)N(C)CCC#N	ZINC000521613050	333179789	/nfs/dbraw/zinc/17/97/89/333179789.db2.gz	QQQILZAKMXRWCI-VHSXEESVSA-N	-1	0	291.373	0.412	20	30		CCEDRM
N#CCOc1ccc(/C=C/C(=O)NCC(=O)[O-])cc1	ZINC000238192613	333382540	/nfs/dbraw/zinc/38/25/40/333382540.db2.gz	RHAZMSQOMAOHLR-ZZXKWVIFSA-N	-1	0	260.249	0.803	20	30		CCEDRM
C=CCC[C@@H](NS(=O)(=O)C[C@H](OC)C1CC1)C(=O)[O-]	ZINC000576156973	335161735	/nfs/dbraw/zinc/16/17/35/335161735.db2.gz	UISWSSNKKJZWDU-MNOVXSKESA-N	-1	0	291.369	0.750	20	30		CCEDRM
C[C@@H]1SC[C@@H](C(=O)[O-])N1S(=O)(=O)CC1(C#N)CC1	ZINC000547892355	334128988	/nfs/dbraw/zinc/12/89/88/334128988.db2.gz	UHODKILTWUHQGJ-YUMQZZPRSA-N	-1	0	290.366	0.468	20	30		CCEDRM
C=CCN(CC(=O)[O-])S(=O)(=O)c1ccc2c(c1)COC2	ZINC000547906927	334129165	/nfs/dbraw/zinc/12/91/65/334129165.db2.gz	UYZRWZDDOVKGQA-UHFFFAOYSA-N	-1	0	297.332	0.978	20	30		CCEDRM
CCN([C@@H](C)CC(=O)[O-])S(=O)(=O)CCCC#N	ZINC000548234202	334146993	/nfs/dbraw/zinc/14/69/93/334146993.db2.gz	VWTDCHWVTNENMB-VIFPVBQESA-N	-1	0	262.331	0.805	20	30		CCEDRM
C[C@@H]1CCN(S(=O)(=O)CC2(C#N)CC2)[C@@H]1C(=O)[O-]	ZINC000548245101	334147008	/nfs/dbraw/zinc/14/70/08/334147008.db2.gz	ZOMLAQPUFLVROK-BDAKNGLRSA-N	-1	0	272.326	0.415	20	30		CCEDRM
CC(C)N(CCC(=O)[O-])S(=O)(=O)N(C)CCC#N	ZINC000548555494	334162418	/nfs/dbraw/zinc/16/24/18/334162418.db2.gz	IBAHDABYMJTVLT-UHFFFAOYSA-N	-1	0	277.346	0.262	20	30		CCEDRM
N#CCc1cccc(C(=O)NCCCc2n[nH]c(=O)[n-]2)c1	ZINC000080973990	334175773	/nfs/dbraw/zinc/17/57/73/334175773.db2.gz	VUEGKSUBLOPRPZ-UHFFFAOYSA-N	-1	0	285.307	0.527	20	30		CCEDRM
CC(C)[C@@H](CC(=O)[O-])NS(=O)(=O)N(C)C[C@H](C)C#N	ZINC000567276294	334700281	/nfs/dbraw/zinc/70/02/81/334700281.db2.gz	CTMIVHAXDVQIIJ-NXEZZACHSA-N	-1	0	291.373	0.412	20	30		CCEDRM
C=CCC[C@H](NC(=O)[C@@H]1CCCS1(=O)=O)C(=O)[O-]	ZINC000568412898	334824028	/nfs/dbraw/zinc/82/40/28/334824028.db2.gz	MUWOGJZJJQSACL-IUCAKERBSA-N	-1	0	275.326	0.099	20	30		CCEDRM
C[C@H]([C@@H](NS(=O)(=O)CC1(C#N)CC1)C(=O)[O-])C1CC1	ZINC000573070547	334905521	/nfs/dbraw/zinc/90/55/21/334905521.db2.gz	BCALHXQSYYHSOV-WCBMZHEXSA-N	-1	0	286.353	0.709	20	30		CCEDRM
N#Cc1cncc(S(=O)(=O)N2C[C@H]3C[C@@]3(C(=O)[O-])C2)c1	ZINC000576558240	335218643	/nfs/dbraw/zinc/21/86/43/335218643.db2.gz	CCMGHKPDQIZPPW-BXKDBHETSA-N	-1	0	293.304	0.048	20	30		CCEDRM
C[C@@H]1CCN(S(=O)(=O)CC2(CC#N)CC2)[C@H]1C(=O)[O-]	ZINC000577519257	335364047	/nfs/dbraw/zinc/36/40/47/335364047.db2.gz	UCLLMFNZPQOQMN-NXEZZACHSA-N	-1	0	286.353	0.805	20	30		CCEDRM
N#CCC1(CS(=O)(=O)NCCCC(=O)[O-])CC1	ZINC000578627216	335655633	/nfs/dbraw/zinc/65/56/33/335655633.db2.gz	QIWQBXOBOUGKMK-UHFFFAOYSA-N	-1	0	260.315	0.464	20	30		CCEDRM
C=C(C)CS(=O)(=O)NC[C@@H](Cc1ccccn1)C(=O)[O-]	ZINC000581373546	336063814	/nfs/dbraw/zinc/06/38/14/336063814.db2.gz	ZZIUVRAGWPQTFX-LLVKDONJSA-N	-1	0	298.364	0.820	20	30		CCEDRM
C=CCOC[C@H](NC(=O)Cc1cscn1)C(=O)[O-]	ZINC000668290701	545171428	/nfs/dbraw/zinc/17/14/28/545171428.db2.gz	VWVPAJLTUCPPNJ-VIFPVBQESA-N	-1	0	270.310	0.458	20	30		CCEDRM
CCN(CC#N)C(=O)c1cc(C)c2c(=O)[n-]c(=O)nc-2[nH]1	ZINC000353838417	527884840	/nfs/dbraw/zinc/88/48/40/527884840.db2.gz	CIDVEZKIUVTWCB-UHFFFAOYSA-N	-1	0	287.279	0.730	20	30		CCEDRM
N#CCN1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1ccc2oc(=O)nc-2[n-]1	ZINC000962280789	649897464	/nfs/dbraw/zinc/89/74/64/649897464.db2.gz	NUBDQCLRJFRVEU-VROVMSAKSA-N	-1	0	299.290	0.112	20	30		CCEDRM
C=CCS(=O)(=O)[N-]C(=O)c1ccc2c(c1)ncn2C	ZINC000777336389	581112830	/nfs/dbraw/zinc/11/28/30/581112830.db2.gz	NHBKTJGBJOBJII-UHFFFAOYSA-N	-1	0	279.321	0.819	20	30		CCEDRM
C[C@H]1CN(C(=O)[O-])CCN1CC(=O)N[C@](C)(C#N)C1CC1	ZINC000739162426	581186007	/nfs/dbraw/zinc/18/60/07/581186007.db2.gz	UYGRYQWBZQVMRP-IINYFYTJSA-N	-1	0	294.355	0.479	20	30		CCEDRM
COCCO[N-]C(=O)[C@H](C#N)Cc1ccc(C#N)cc1	ZINC000792212879	581252617	/nfs/dbraw/zinc/25/26/17/581252617.db2.gz	UTVLIBJZUHDXCN-ZDUSSCGKSA-N	-1	0	273.292	0.935	20	30		CCEDRM
N#Cc1ccc(C[C@H](C#N)C(=O)[N-]OCCO)cc1	ZINC000792333061	581277536	/nfs/dbraw/zinc/27/75/36/581277536.db2.gz	OQXDYNNWWAZBNZ-GFCCVEGCSA-N	-1	0	259.265	0.281	20	30		CCEDRM
CC[C@@H](NN=Cc1ccc(C(=O)OC)[nH]1)C(=O)[O-]	ZINC000793072710	581283127	/nfs/dbraw/zinc/28/31/27/581283127.db2.gz	OQNUALVXAJXHLV-MRVPVSSYSA-N	-1	0	253.258	0.588	20	30		CCEDRM
CC[C@@H](NN=C1CCN(c2cnccn2)CC1)C(=O)[O-]	ZINC000793071003	581283322	/nfs/dbraw/zinc/28/33/22/581283322.db2.gz	BXGNIXKKVIYETR-LLVKDONJSA-N	-1	0	277.328	0.886	20	30		CCEDRM
CC[C@H](NN=Cc1cnc([C@H](C)O)s1)C(=O)[O-]	ZINC000793079801	581283822	/nfs/dbraw/zinc/28/38/22/581283822.db2.gz	UBHFOKCLOZPLBG-XPUUQOCRSA-N	-1	0	257.315	0.983	20	30		CCEDRM
CC(C)(C#N)CC(=O)[N-]S(=O)(=O)CC1(C#N)CC1	ZINC000793194860	581287770	/nfs/dbraw/zinc/28/77/70/581287770.db2.gz	BCECBWONOZFBMB-UHFFFAOYSA-N	-1	0	269.326	0.676	20	30		CCEDRM
CC[C@](C)(OC)C(=O)[N-]S(=O)(=O)CC1(C#N)CC1	ZINC000793212668	581288470	/nfs/dbraw/zinc/28/84/70/581288470.db2.gz	RAWNCICHZGYOID-JTQLQIEISA-N	-1	0	274.342	0.551	20	30		CCEDRM
N#CCOc1ccc(CN2CCO[C@@H](C(=O)[O-])C2)cc1	ZINC000738426153	581317736	/nfs/dbraw/zinc/31/77/36/581317736.db2.gz	NDURZDRVKQPYJW-CYBMUJFWSA-N	-1	0	276.292	0.874	20	30		CCEDRM
N#CCCCCS(=O)(=O)NC1CCN(C(=O)[O-])CC1	ZINC000738427638	581318079	/nfs/dbraw/zinc/31/80/79/581318079.db2.gz	DTFZLMZRDBJIJN-UHFFFAOYSA-N	-1	0	289.357	0.742	20	30		CCEDRM
C#CCCNC(=O)NCCCN(C(=O)[O-])C1CC1	ZINC000738456886	581331067	/nfs/dbraw/zinc/33/10/67/581331067.db2.gz	DMHAVNPPIKVUPW-UHFFFAOYSA-N	-1	0	253.302	0.841	20	30		CCEDRM
C#CCN(CC)C(=O)[C@H](CCSC)NC(=O)[O-]	ZINC000738461118	581333342	/nfs/dbraw/zinc/33/33/42/581333342.db2.gz	OIFFOMOWIXWUHJ-VIFPVBQESA-N	-1	0	258.343	0.857	20	30		CCEDRM
CC(C)NC(=O)C(C#N)=C([O-])c1cnc2n[nH]nc2c1	ZINC000783077901	581335356	/nfs/dbraw/zinc/33/53/56/581335356.db2.gz	ZNBPXRMNFYRCJI-MRVPVSSYSA-N	-1	0	272.268	0.200	20	30		CCEDRM
C#Cc1cccc(NC(=O)[C@H]2C[C@H](O)CN2C(=O)[O-])c1	ZINC000738468046	581342327	/nfs/dbraw/zinc/34/23/27/581342327.db2.gz	RMNDBOPZXMWJGC-NWDGAFQWSA-N	-1	0	274.276	0.720	20	30		CCEDRM
C#CCSCCNC(=O)N1CC[C@@H](CNC(=O)[O-])C1	ZINC000738471045	581344286	/nfs/dbraw/zinc/34/42/86/581344286.db2.gz	VFKBGXCHNDGQBX-JTQLQIEISA-N	-1	0	285.369	0.652	20	30		CCEDRM
N#CCn1cc([N-]S(=O)(=O)c2ccco2)cn1	ZINC000783529413	581348727	/nfs/dbraw/zinc/34/87/27/581348727.db2.gz	ZSXAVAKHQJHVQC-UHFFFAOYSA-N	-1	0	252.255	0.800	20	30		CCEDRM
N#Cc1c[n-]n2c1nc(COC(=O)[C@@H](O)C1CC1)cc2=O	ZINC000783561470	581350091	/nfs/dbraw/zinc/35/00/91/581350091.db2.gz	PQYCXCWJJYUKDN-NSHDSACASA-N	-1	0	288.263	0.121	20	30		CCEDRM
C=CCCCN(C)C(=O)[C@@H]1COCCN1C(=O)[O-]	ZINC000738492249	581361119	/nfs/dbraw/zinc/36/11/19/581361119.db2.gz	CKZRVTBWKGQFIJ-JTQLQIEISA-N	-1	0	256.302	0.790	20	30		CCEDRM
CNC(=O)C(C#N)=C([O-])c1ccc2nsnc2c1	ZINC000784834027	581395326	/nfs/dbraw/zinc/39/53/26/581395326.db2.gz	RDTIPVPBRVTTCL-SSDOTTSWSA-N	-1	0	260.278	0.760	20	30		CCEDRM
COCCOc1ccc(C#N)cc1NC(=O)C(=O)[N-]OC	ZINC000785368398	581406416	/nfs/dbraw/zinc/40/64/16/581406416.db2.gz	GJIUSDAVACZXRN-UHFFFAOYSA-N	-1	0	293.279	0.200	20	30		CCEDRM
N#C[C@@]1(F)CCN(CCC[N-]C(=O)C(F)(F)F)C1	ZINC000786437511	581440572	/nfs/dbraw/zinc/44/05/72/581440572.db2.gz	RDODDTLKZFWEGK-VIFPVBQESA-N	-1	0	267.226	0.993	20	30		CCEDRM
N#CCCCS(=O)(=O)[N-]C(=O)[C@@H]1CCCOCC1	ZINC000786478663	581442540	/nfs/dbraw/zinc/44/25/40/581442540.db2.gz	KCZXWRDGNMTTDS-SNVBAGLBSA-N	-1	0	274.342	0.553	20	30		CCEDRM
C=CCS(=O)(=O)[N-]C(=O)C[C@H]1CCC(=O)[C@H]1C	ZINC000796794157	581450972	/nfs/dbraw/zinc/45/09/72/581450972.db2.gz	YLIKCDBWKDPSCL-DTWKUNHWSA-N	-1	0	259.327	0.624	20	30		CCEDRM
Cn1ccc(CCC(=O)[N-]S(=O)(=O)CC2(C#N)CC2)n1	ZINC000797062277	581458955	/nfs/dbraw/zinc/45/89/55/581458955.db2.gz	NYWAZUSNGCZGFZ-UHFFFAOYSA-N	-1	0	296.352	0.102	20	30		CCEDRM
N#CCCCS(=O)(=O)[N-]C(=O)c1occ2c1CCOC2	ZINC000797228323	581462316	/nfs/dbraw/zinc/46/23/16/581462316.db2.gz	QJWHGMRMKBQFKQ-UHFFFAOYSA-N	-1	0	298.320	0.716	20	30		CCEDRM
COC(=O)[C@@H](C)S(=O)(=O)[N-]C(=O)c1ccc(C#N)cc1	ZINC000797292789	581463952	/nfs/dbraw/zinc/46/39/52/581463952.db2.gz	UWVVCEWJAXQROL-MRVPVSSYSA-N	-1	0	296.304	0.179	20	30		CCEDRM
CN1C(=O)CN(N=Cc2ccc(OCC(=O)[O-])cc2)C1=O	ZINC000768380731	581510787	/nfs/dbraw/zinc/51/07/87/581510787.db2.gz	UNEMMGCCNGNVRG-UHFFFAOYSA-N	-1	0	291.263	0.378	20	30		CCEDRM
COCCNC(=O)C(C#N)=C([O-])c1ccc(C)cn1	ZINC000753534803	581546407	/nfs/dbraw/zinc/54/64/07/581546407.db2.gz	WTVYHHCBDRUADE-JTQLQIEISA-N	-1	0	261.281	0.475	20	30		CCEDRM
Cc1ccc(C#N)cc1S(=O)(=O)[N-]C(=O)c1cocn1	ZINC000734294039	581553937	/nfs/dbraw/zinc/55/39/37/581553937.db2.gz	ZIVPFJKXQYCQDZ-UHFFFAOYSA-N	-1	0	291.288	0.973	20	30		CCEDRM
CCCn1cc(C([O-])=C(C#N)C(=O)NC(C)C)nn1	ZINC000766623938	581573831	/nfs/dbraw/zinc/57/38/31/581573831.db2.gz	WGTLGBDHDOEYKF-SECBINFHSA-N	-1	0	263.301	0.535	20	30		CCEDRM
C[C@@H](C#N)CN(C)C(=O)NCCN(C(=O)[O-])C1CC1	ZINC000738595855	581575691	/nfs/dbraw/zinc/57/56/91/581575691.db2.gz	ASAMMVHZOPAOCL-VIFPVBQESA-N	-1	0	268.317	0.930	20	30		CCEDRM
CN(CC#N)C(=O)CN(C[C@@H]1CCCO1)C(=O)[O-]	ZINC000739617981	581581710	/nfs/dbraw/zinc/58/17/10/581581710.db2.gz	TZQTZGDJYYIPFY-VIFPVBQESA-N	-1	0	255.274	0.127	20	30		CCEDRM
CNC(=O)C(C#N)=C([O-])c1ccc(OC)c(Cl)n1	ZINC000766841382	581583037	/nfs/dbraw/zinc/58/30/37/581583037.db2.gz	KWPKKXVPKZTCLE-ZCFIWIBFSA-N	-1	0	267.672	0.812	20	30		CCEDRM
CN(CC(=O)OCC(=O)Nc1cccc(C#N)c1)C(=O)[O-]	ZINC000739632004	581584194	/nfs/dbraw/zinc/58/41/94/581584194.db2.gz	ZWSWJOSCCUCXEH-UHFFFAOYSA-N	-1	0	291.263	0.650	20	30		CCEDRM
CN(CCNC(=O)C(=O)Nc1cccc(C#N)c1)C(=O)[O-]	ZINC000739689379	581594066	/nfs/dbraw/zinc/59/40/66/581594066.db2.gz	FFIDZTLQDGRJSJ-UHFFFAOYSA-N	-1	0	290.279	0.223	20	30		CCEDRM
C=C(C)C[C@H](C)C(=O)[N-]S(=O)(=O)CCOCCOC	ZINC000768001747	581640515	/nfs/dbraw/zinc/64/05/15/581640515.db2.gz	TZYMPSQLPQZOOS-NSHDSACASA-N	-1	0	293.385	0.698	20	30		CCEDRM
C[S@](=O)c1ccc(C(=O)N(CC#N)CC(=O)[O-])cc1	ZINC000738180510	581641084	/nfs/dbraw/zinc/64/10/84/581641084.db2.gz	WGOVQWXMGQHOGA-IBGZPJMESA-N	-1	0	280.305	0.474	20	30		CCEDRM
Cc1nnc([S-])n(N=Cc2cnc3ccccn23)c1=O	ZINC000755509353	581643012	/nfs/dbraw/zinc/64/30/12/581643012.db2.gz	UQRVCLKCZICBMB-UHFFFAOYSA-N	-1	0	286.320	0.765	20	30		CCEDRM
CN(CCCC(=O)N1CCOC[C@H]1C#N)C(=O)[O-]	ZINC000739665435	581647859	/nfs/dbraw/zinc/64/78/59/581647859.db2.gz	WYQILGGEZVXHIF-SECBINFHSA-N	-1	0	255.274	0.127	20	30		CCEDRM
CNC(=O)C(C#N)=C([O-])c1ccc(C(=O)OC)c(F)c1	ZINC000768765123	581654547	/nfs/dbraw/zinc/65/45/47/581654547.db2.gz	JMDLAXXBWPSRNH-SECBINFHSA-N	-1	0	278.239	0.681	20	30		CCEDRM
CC(C)C[C@@H](CNC(=O)[O-])NS(=O)(=O)CCCC#N	ZINC000738811176	581659168	/nfs/dbraw/zinc/65/91/68/581659168.db2.gz	LQFMLVJLAQUBAX-JTQLQIEISA-N	-1	0	291.373	0.892	20	30		CCEDRM
N#CCNC(=O)C1=NN(c2ccccc2)[C@H](C(=O)[O-])C1	ZINC000740305231	581662301	/nfs/dbraw/zinc/66/23/01/581662301.db2.gz	IIORAAGFPUQZJS-NSHDSACASA-N	-1	0	272.264	0.346	20	30		CCEDRM
N#CCN1CCC(NC(=O)N2CC[C@H](NC(=O)[O-])C2)CC1	ZINC000740305988	581662825	/nfs/dbraw/zinc/66/28/25/581662825.db2.gz	ZGNQPZJYKYIWAX-NSHDSACASA-N	-1	0	295.343	0.026	20	30		CCEDRM
N#CCN(CC#N)C(=O)[C@H]1CCC[C@@H](NC(=O)[O-])C1	ZINC000740305579	581662878	/nfs/dbraw/zinc/66/28/78/581662878.db2.gz	PCPDYRSHDAHAFT-VHSXEESVSA-N	-1	0	264.285	0.689	20	30		CCEDRM
N#C[C@@H]1CN(C(=O)C2(NC(=O)[O-])CCCC2)CCO1	ZINC000740310717	581663881	/nfs/dbraw/zinc/66/38/81/581663881.db2.gz	WGHDOXJGMYMGAE-SECBINFHSA-N	-1	0	267.285	0.318	20	30		CCEDRM
N#CC1CCN(C(=O)N[C@@H]2CCN(C(=O)[O-])C2)CC1	ZINC000740311094	581663941	/nfs/dbraw/zinc/66/39/41/581663941.db2.gz	YCNBVUMFSXSNQS-SNVBAGLBSA-N	-1	0	266.301	0.684	20	30		CCEDRM
N#Cc1c(NC(=O)CSCC(=O)[O-])nc2n1CCS2	ZINC000740310359	581664048	/nfs/dbraw/zinc/66/40/48/581664048.db2.gz	DYZRWLNDSBJCEB-UHFFFAOYSA-N	-1	0	298.349	0.617	20	30		CCEDRM
N#Cc1ccc([C@H](N[C@H]2CCN(C(=O)[O-])C2)C(N)=O)cc1	ZINC000740312307	581664478	/nfs/dbraw/zinc/66/44/78/581664478.db2.gz	DLLMZXHYYRZYCJ-RYUDHWBXSA-N	-1	0	288.307	0.427	20	30		CCEDRM
N#Cc1ccc(NC(=O)C(=O)NCCC(=O)[O-])cc1Cl	ZINC000740318346	581665136	/nfs/dbraw/zinc/66/51/36/581665136.db2.gz	XWIZMSMVXZPFDT-UHFFFAOYSA-N	-1	0	295.682	0.741	20	30		CCEDRM
N#Cc1cccc(CNC(=O)[C@@H]2COCCN2C(=O)[O-])c1	ZINC000740320674	581665152	/nfs/dbraw/zinc/66/51/52/581665152.db2.gz	WOPCZTAWQQACSQ-LBPRGKRZSA-N	-1	0	289.291	0.553	20	30		CCEDRM
O=C([O-])N1C[C@@H](O)C[C@@H]1C(=O)NCC#Cc1ccccc1	ZINC000740403530	581677013	/nfs/dbraw/zinc/67/70/13/581677013.db2.gz	CSSIGBDZQPSLBK-QWHCGFSZSA-N	-1	0	288.303	0.268	20	30		CCEDRM
C[C@H](C#N)NC(=O)C1=NN(c2ccccc2)[C@@H](C(=O)[O-])C1	ZINC000738605874	581686619	/nfs/dbraw/zinc/68/66/19/581686619.db2.gz	YYFLUBHZFBVLIU-BXKDBHETSA-N	-1	0	286.291	0.734	20	30		CCEDRM
C#CCNC(=O)[C@@H](C)OC(=O)c1ccccc1C(=O)[O-]	ZINC000736079386	581687057	/nfs/dbraw/zinc/68/70/57/581687057.db2.gz	LXPAOIIXPINEIY-SECBINFHSA-N	-1	0	275.260	0.680	20	30		CCEDRM
C#CCCNC(=O)C(=O)Nc1ccc(CCC(=O)[O-])cc1	ZINC000736076221	581694663	/nfs/dbraw/zinc/69/46/63/581694663.db2.gz	CDQBSLRFJRVRIA-UHFFFAOYSA-N	-1	0	288.303	0.782	20	30		CCEDRM
C#CCCNC(=O)C(=O)Nc1cccc(C(=O)[O-])c1C	ZINC000736077767	581695262	/nfs/dbraw/zinc/69/52/62/581695262.db2.gz	WROLFLFKCRIJDN-UHFFFAOYSA-N	-1	0	274.276	0.771	20	30		CCEDRM
C=CCNC(=O)COC(=O)[C@H](NC(=O)[O-])C(C)C	ZINC000736105742	581696722	/nfs/dbraw/zinc/69/67/22/581696722.db2.gz	HQKDJOIRUDXXDC-SECBINFHSA-N	-1	0	258.274	0.124	20	30		CCEDRM
C=CCNC(=O)c1ccc(N2CCN(C(=O)[O-])CC2)nc1	ZINC000736106310	581697211	/nfs/dbraw/zinc/69/72/11/581697211.db2.gz	YLEXPCPDFOMHOO-UHFFFAOYSA-N	-1	0	290.323	0.797	20	30		CCEDRM
C#Cc1cccc(NC(=O)C(=O)NC[C@H](C)C(=O)[O-])c1	ZINC000736091105	581701129	/nfs/dbraw/zinc/70/11/29/581701129.db2.gz	ORIPDMQFFMOVJM-VIFPVBQESA-N	-1	0	274.276	0.443	20	30		CCEDRM
C=C(C)CN(CC)C(=O)[C@@H](C)N1CCO[C@H](C(=O)[O-])C1	ZINC000736095099	581702224	/nfs/dbraw/zinc/70/22/24/581702224.db2.gz	IWAMYVDOHUVGEQ-NEPJUHHUSA-N	-1	0	284.356	0.585	20	30		CCEDRM
CC[C@]1(C)NC(=O)N([N-]C(=O)c2ccc(C#N)s2)C1=O	ZINC000769852428	581711287	/nfs/dbraw/zinc/71/12/87/581711287.db2.gz	IOFBESIUKWRCFM-LBPRGKRZSA-N	-1	0	292.320	0.985	20	30		CCEDRM
C[C@H](C#N)C(=O)Nc1ccc(C(=O)NCC(=O)[O-])cc1	ZINC000736201547	581714119	/nfs/dbraw/zinc/71/41/19/581714119.db2.gz	HYRGCZMJFOJWEY-MRVPVSSYSA-N	-1	0	275.264	0.599	20	30		CCEDRM
C=CCNC(=O)[C@@H](C)OC(=O)c1cc(=O)[n-]c(OC)n1	ZINC000770519431	581750123	/nfs/dbraw/zinc/75/01/23/581750123.db2.gz	QCSZBEQXOCEKGC-SSDOTTSWSA-N	-1	0	281.268	0.038	20	30		CCEDRM
COc1cc(C=NN2C(=O)CNC2=O)cc([N+](=O)[O-])c1[O-]	ZINC000770615243	581756228	/nfs/dbraw/zinc/75/62/28/581756228.db2.gz	BIANDRJWNUKUJN-UHFFFAOYSA-N	-1	0	294.223	0.195	20	30		CCEDRM
C=CCCO[C@@H](C)C(=O)[N-]S(=O)(=O)c1cnccn1	ZINC000758580744	581757532	/nfs/dbraw/zinc/75/75/32/581757532.db2.gz	YDBWJILPTKIJMC-VIFPVBQESA-N	-1	0	285.325	0.263	20	30		CCEDRM
N#CCc1ccc(C(=O)N2CCO[C@H](c3nnn[n-]3)C2)cc1	ZINC000759028284	581781004	/nfs/dbraw/zinc/78/10/04/581781004.db2.gz	OHIWYKLRGISJRP-LBPRGKRZSA-N	-1	0	298.306	0.479	20	30		CCEDRM
CN(Cc1cccc(C#N)c1)C(=O)c1cc(=O)[nH][n-]1	ZINC000731868793	581787494	/nfs/dbraw/zinc/78/74/94/581787494.db2.gz	VZXGANQETGXUQQ-UHFFFAOYSA-N	-1	0	256.265	0.393	20	30		CCEDRM
COC(C)(C)C(=O)[N-]S(=O)(=O)CC1(C#N)CCC1	ZINC000771071181	581789063	/nfs/dbraw/zinc/78/90/63/581789063.db2.gz	JVFAFHPNFAKNGB-UHFFFAOYSA-N	-1	0	274.342	0.551	20	30		CCEDRM
N#CC1(CS(=O)(=O)[N-]C(=O)Cc2ccco2)CCC1	ZINC000771070475	581789187	/nfs/dbraw/zinc/78/91/87/581789187.db2.gz	DVMRBPOBGQWEFZ-UHFFFAOYSA-N	-1	0	282.321	0.962	20	30		CCEDRM
COCCCC(=O)[N-]S(=O)(=O)CC1(C#N)CCC1	ZINC000771074193	581789772	/nfs/dbraw/zinc/78/97/72/581789772.db2.gz	AFMSOYJNVXVXDA-UHFFFAOYSA-N	-1	0	274.342	0.553	20	30		CCEDRM
COCCNC(=O)C(C#N)=C([O-])c1cncc(F)c1	ZINC000759538818	581804284	/nfs/dbraw/zinc/80/42/84/581804284.db2.gz	NIPJDICUWCXHAP-SNVBAGLBSA-N	-1	0	265.244	0.306	20	30		CCEDRM
C[C@@](NC(=O)c1ccc(C#N)nc1)(C(=O)[O-])C1CC1	ZINC000736653191	581811706	/nfs/dbraw/zinc/81/17/06/581811706.db2.gz	VJGAQEXFQLNYLJ-ZDUSSCGKSA-N	-1	0	259.265	0.936	20	30		CCEDRM
COc1cc(C=NN2CC(=O)NC2=O)cc([N+](=O)[O-])c1[O-]	ZINC000744810578	581853667	/nfs/dbraw/zinc/85/36/67/581853667.db2.gz	SKBZHLWMSUSTKO-UHFFFAOYSA-N	-1	0	294.223	0.195	20	30		CCEDRM
C=CCS(=O)(=O)[N-]C(=O)C[C@H](OCC)C(=C)C	ZINC000772715255	581885613	/nfs/dbraw/zinc/88/56/13/581885613.db2.gz	GXRFEDNWDGFKAC-JTQLQIEISA-N	-1	0	261.343	0.990	20	30		CCEDRM
C#CCCCCC(=O)[N-]S(=O)(=O)C[C@H]1CCOC1	ZINC000773856924	581944394	/nfs/dbraw/zinc/94/43/94/581944394.db2.gz	PVYGGZDXBYZOFK-NSHDSACASA-N	-1	0	273.354	0.663	20	30		CCEDRM
CN(C(=O)[O-])c1ccccc1C(=O)OCC(=O)NCC#N	ZINC000737336793	581945782	/nfs/dbraw/zinc/94/57/82/581945782.db2.gz	UHHXXVGVZBPKHD-UHFFFAOYSA-N	-1	0	291.263	0.597	20	30		CCEDRM
CCc1nc(C([O-])=C(C#N)C(=O)NCCCOC)co1	ZINC000773968971	581950171	/nfs/dbraw/zinc/95/01/71/581950171.db2.gz	RTVSCBLVUFUWBY-VIFPVBQESA-N	-1	0	279.296	0.712	20	30		CCEDRM
CN(CC#N)Cc1nc2cc(C(=O)[O-])ccc2c(=O)[nH]1	ZINC000737385469	581950348	/nfs/dbraw/zinc/95/03/48/581950348.db2.gz	DRAYSNITPKTOSY-UHFFFAOYSA-N	-1	0	272.264	0.989	20	30		CCEDRM
C[C@@H]1COCC[C@@H]1C(=O)C(C#N)=C([O-])c1nccn1C	ZINC000774143706	581961482	/nfs/dbraw/zinc/96/14/82/581961482.db2.gz	VAMIUWFAWQPQOO-VWYCJHECSA-N	-1	0	275.308	0.984	20	30		CCEDRM
C#CCN(CC#CC)C(=O)C1CCN(C(=O)[O-])CC1	ZINC000737492235	581965606	/nfs/dbraw/zinc/96/56/06/581965606.db2.gz	HBHBKTZWEJGBSU-UHFFFAOYSA-N	-1	0	262.309	0.862	20	30		CCEDRM
C#CCNC(=O)[C@@H](C)N1CCC(N(C)C(=O)[O-])CC1	ZINC000737492739	581965882	/nfs/dbraw/zinc/96/58/82/581965882.db2.gz	OYQHLWOMSKTXOJ-SNVBAGLBSA-N	-1	0	267.329	0.199	20	30		CCEDRM
CCOc1nc(C(=O)[N-]S(=O)(=O)CCCC#N)co1	ZINC000774293631	581969009	/nfs/dbraw/zinc/96/90/09/581969009.db2.gz	UDYKHIIZSIWMPN-UHFFFAOYSA-N	-1	0	287.297	0.437	20	30		CCEDRM
C#Cc1ccc(C(=O)NCCCc2n[nH]c(=O)[n-]2)nc1	ZINC000748382199	581973071	/nfs/dbraw/zinc/97/30/71/581973071.db2.gz	HFHKORYHBHGUMR-UHFFFAOYSA-N	-1	0	271.280	0.249	20	30		CCEDRM
CS(=O)(=O)CCC(=O)Nc1cc(C#N)ccc1[O-]	ZINC000748410928	581974113	/nfs/dbraw/zinc/97/41/13/581974113.db2.gz	GVGZJGNSLUYMSE-UHFFFAOYSA-N	-1	0	268.294	0.637	20	30		CCEDRM
C=CCN(CCCCC(=O)[O-])[C@@H]1CCS(=O)(=O)C1	ZINC000737534502	581975097	/nfs/dbraw/zinc/97/50/97/581975097.db2.gz	PBQZIUYOEQMAFT-LLVKDONJSA-N	-1	0	275.370	0.916	20	30		CCEDRM
C[C@@H]1CC(=O)CC[C@@H]1C(=O)[N-]S(=O)(=O)CCCC#N	ZINC000763031701	581978773	/nfs/dbraw/zinc/97/87/73/581978773.db2.gz	YBMBXYKTKDOYOK-KOLCDFICSA-N	-1	0	286.353	0.741	20	30		CCEDRM
COC(=O)C[C@@H](NC(=O)Cc1ccc(C#N)cc1)C(=O)[O-]	ZINC000737592067	581985385	/nfs/dbraw/zinc/98/53/85/581985385.db2.gz	PWKKHJNVWGOATC-LLVKDONJSA-N	-1	0	290.275	0.233	20	30		CCEDRM
COc1ccc(C(=O)N(CC#N)CC(=O)[O-])c(OC)c1	ZINC000737921219	582007406	/nfs/dbraw/zinc/00/74/06/582007406.db2.gz	VAEQMKKPGDUBPT-UHFFFAOYSA-N	-1	0	278.264	0.754	20	30		CCEDRM
CCn1cc(C#N)c(=O)n(CCCCC(=O)[O-])c1=O	ZINC000737916316	582007563	/nfs/dbraw/zinc/00/75/63/582007563.db2.gz	KOPTVULFFCCIEP-UHFFFAOYSA-N	-1	0	265.269	0.156	20	30		CCEDRM
N#Cc1nc(NC(=O)C(F)(F)C2(O)CCC2)[n-]c1C#N	ZINC000763701331	582009674	/nfs/dbraw/zinc/00/96/74/582009674.db2.gz	LKXAEFNYIZTBPU-UHFFFAOYSA-N	-1	0	281.222	0.642	20	30		CCEDRM
C[C@@H](CO)NN=Cc1cccc(OCCC(=O)[O-])c1	ZINC000749820377	582023830	/nfs/dbraw/zinc/02/38/30/582023830.db2.gz	CJLKBUHDJRPRIJ-JTQLQIEISA-N	-1	0	266.297	0.844	20	30		CCEDRM
C=C[C@](C)(CCOC)C(=O)[N-]S(=O)(=O)C[C@@H](C)OC	ZINC000764193144	582034731	/nfs/dbraw/zinc/03/47/31/582034731.db2.gz	FZAQIQNALPFCEI-ZYHUDNBSSA-N	-1	0	293.385	0.696	20	30		CCEDRM
N#CC1(NS(=O)(=O)c2cccc(C(=O)[O-])c2)CC1	ZINC000738422802	582047767	/nfs/dbraw/zinc/04/77/67/582047767.db2.gz	MNNIFLQNKOXSGU-UHFFFAOYSA-N	-1	0	266.278	0.719	20	30		CCEDRM
N#CC1(NC(=O)[C@H]2CCCN(C(=O)[O-])C2)CCOCC1	ZINC000738423118	582047818	/nfs/dbraw/zinc/04/78/18/582047818.db2.gz	PMDFHFVFKLVKFI-JTQLQIEISA-N	-1	0	281.312	0.565	20	30		CCEDRM
N#C[C@@H]1CN(C(=O)C2CCN(C(=O)[O-])CC2)CCO1	ZINC000738421438	582047849	/nfs/dbraw/zinc/04/78/49/582047849.db2.gz	DJMLCFMZUWFJTC-SNVBAGLBSA-N	-1	0	267.285	0.127	20	30		CCEDRM
N#CCCN(Cc1ccccn1)C(=O)CNC(=O)[O-]	ZINC000738428357	582048450	/nfs/dbraw/zinc/04/84/50/582048450.db2.gz	MPMQUQKMRXBJTL-UHFFFAOYSA-N	-1	0	262.269	0.591	20	30		CCEDRM
Cc1noc(C)c1C(=O)[N-]S(=O)(=O)CCCC#N	ZINC000776115079	582051912	/nfs/dbraw/zinc/05/19/12/582051912.db2.gz	HBZMWRSBUDPZRP-UHFFFAOYSA-N	-1	0	271.298	0.655	20	30		CCEDRM
C#CCCNC(=O)N1C[C@H](C)N(C(=O)[O-])[C@@H](C)C1	ZINC000738456823	582052562	/nfs/dbraw/zinc/05/25/62/582052562.db2.gz	BSGHNTXSJSVAPF-UWVGGRQHSA-N	-1	0	253.302	0.792	20	30		CCEDRM
Cc1ccc(CC(=O)[N-]S(=O)(=O)CCCC#N)o1	ZINC000776122611	582052654	/nfs/dbraw/zinc/05/26/54/582052654.db2.gz	GLCCSKXMVMAOHF-UHFFFAOYSA-N	-1	0	270.310	0.880	20	30		CCEDRM
C#CCNC(=O)N[C@@H](C)[C@@H]1CCCN(C(=O)[O-])C1	ZINC000738463117	582053721	/nfs/dbraw/zinc/05/37/21/582053721.db2.gz	NEKFWRCIJXTQEC-VHSXEESVSA-N	-1	0	253.302	0.697	20	30		CCEDRM
C#CCNC(=O)c1ccc(N2CC[C@H](NC(=O)[O-])C2)nc1	ZINC000738462861	582053820	/nfs/dbraw/zinc/05/38/20/582053820.db2.gz	CSDOXRBEIWQGOT-NSHDSACASA-N	-1	0	288.307	0.291	20	30		CCEDRM
CC(C)(C#N)CS(=O)(=O)[N-]C(=O)C1=COCC1	ZINC000776143139	582054127	/nfs/dbraw/zinc/05/41/27/582054127.db2.gz	DTNOPDNHAKXXJZ-UHFFFAOYSA-N	-1	0	258.299	0.286	20	30		CCEDRM
C=C(C)CN(CC)C(=O)COC(=O)[C@@H]1CCN(C(=O)[O-])C1	ZINC000738470127	582054284	/nfs/dbraw/zinc/05/42/84/582054284.db2.gz	IUERVMKRBSFMIG-LLVKDONJSA-N	-1	0	298.339	0.954	20	30		CCEDRM
C=C(Br)CNC(=O)N[C@@H]1CCN(C(=O)[O-])C1	ZINC000738470574	582054444	/nfs/dbraw/zinc/05/44/44/582054444.db2.gz	KMKSIUQJJLAQTD-SSDOTTSWSA-N	-1	0	292.133	0.947	20	30		CCEDRM
Cc1noc(C)c1CC(=O)[N-]S(=O)(=O)CC(C)(C)C#N	ZINC000776146138	582054507	/nfs/dbraw/zinc/05/45/07/582054507.db2.gz	KHHBIWPYOIUREK-UHFFFAOYSA-N	-1	0	299.352	0.830	20	30		CCEDRM
CC(C)(C#N)CS(=O)(=O)[N-]C(=O)CCCn1cccn1	ZINC000776144419	582054543	/nfs/dbraw/zinc/05/45/43/582054543.db2.gz	OMNNDSSTWDSIPC-UHFFFAOYSA-N	-1	0	298.368	0.659	20	30		CCEDRM
C=CCNC(=O)COC(=O)[C@@H]1CCCCN1C(=O)[O-]	ZINC000738495180	582055912	/nfs/dbraw/zinc/05/59/12/582055912.db2.gz	JEFRVDOMXNNMIB-VIFPVBQESA-N	-1	0	270.285	0.364	20	30		CCEDRM
C=C(Cl)COC(=O)CN1CCN(C(=O)[O-])CC1=O	ZINC000738492130	582055955	/nfs/dbraw/zinc/05/59/55/582055955.db2.gz	HTDDQQAUWPCNRA-UHFFFAOYSA-N	-1	0	276.676	0.104	20	30		CCEDRM
C=CCn1nnn(CN2CC[C@@H](CNC(=O)[O-])C2)c1=S	ZINC000738502904	582057137	/nfs/dbraw/zinc/05/71/37/582057137.db2.gz	IYKZHYVIBBOWGQ-VIFPVBQESA-N	-1	0	298.372	0.542	20	30		CCEDRM
C=CCn1nnn(CN2CC[C@@H](NC(=O)[O-])C2)c1=S	ZINC000738503506	582057370	/nfs/dbraw/zinc/05/73/70/582057370.db2.gz	RDTJTBYCUKAYPL-MRVPVSSYSA-N	-1	0	284.345	0.294	20	30		CCEDRM
C=CCn1nnn(CN2CCN(C(=O)[O-])[C@H](C)C2)c1=S	ZINC000738503315	582057382	/nfs/dbraw/zinc/05/73/82/582057382.db2.gz	OBXXCVJTJVKQSJ-SECBINFHSA-N	-1	0	298.372	0.637	20	30		CCEDRM
CS(=O)(=O)NN=Cc1cccc(OCCC(=O)[O-])c1	ZINC000764704227	582063116	/nfs/dbraw/zinc/06/31/16/582063116.db2.gz	LUPYVZXFWAOMNE-UHFFFAOYSA-N	-1	0	286.309	0.423	20	30		CCEDRM
N#C[C@@H]1CN(C(=O)c2ccc(OCC(=O)[O-])cc2)CCO1	ZINC000739069697	582100494	/nfs/dbraw/zinc/10/04/94/582100494.db2.gz	UHHJDCLAIOXFIQ-GFCCVEGCSA-N	-1	0	290.275	0.515	20	30		CCEDRM
N#CCN(CC(=O)[O-])C(=O)CCc1nccs1	ZINC000739077383	582101369	/nfs/dbraw/zinc/10/13/69/582101369.db2.gz	NNGNTYYRNYPJIN-UHFFFAOYSA-N	-1	0	253.283	0.512	20	30		CCEDRM
N#CCN(CC(=O)[O-])C(=O)COc1ccc2c(c1)CCC2	ZINC000739078274	582101396	/nfs/dbraw/zinc/10/13/96/582101396.db2.gz	CRUAOVTZQBGAST-UHFFFAOYSA-N	-1	0	288.303	0.991	20	30		CCEDRM
N#CCN(CCC(=O)NCC(=O)[O-])C1CCCC1	ZINC000739086072	582101888	/nfs/dbraw/zinc/10/18/88/582101888.db2.gz	OEAAIDYXWLSHSK-UHFFFAOYSA-N	-1	0	253.302	0.345	20	30		CCEDRM
N#CCNC(=O)COC(=O)c1cccc(C(=O)[O-])c1	ZINC000739087062	582102024	/nfs/dbraw/zinc/10/20/24/582102024.db2.gz	UATAPNPLVXSIFL-UHFFFAOYSA-N	-1	0	262.221	0.181	20	30		CCEDRM
N#Cc1ccc([C@@H](C(=O)[O-])N2CCNC(=O)C2)cc1	ZINC000739104265	582102574	/nfs/dbraw/zinc/10/25/74/582102574.db2.gz	FLNIZQDDSPNJTM-LBPRGKRZSA-N	-1	0	259.265	0.116	20	30		CCEDRM
O=C1N=C(NN=Cc2cc(Cl)cc(F)c2[O-])NC1=O	ZINC000768366515	582105926	/nfs/dbraw/zinc/10/59/26/582105926.db2.gz	GUMIZOSLKAWRFD-UHFFFAOYSA-N	-1	0	284.634	0.121	20	30		CCEDRM
C#CCCCS(=O)(=O)[N-]c1nnn(C)c1C(F)F	ZINC000903688364	612985693	/nfs/dbraw/zinc/98/56/93/612985693.db2.gz	MCTILKSZQFDDGP-UHFFFAOYSA-N	-1	0	278.284	0.908	20	30		CCEDRM
COc1cc(C(C)=NNc2nnc(C)c(=O)[n-]2)on1	ZINC000814735200	617173502	/nfs/dbraw/zinc/17/35/02/617173502.db2.gz	UQUYAIBGVAYGFD-UHFFFAOYSA-N	-1	0	264.245	0.718	20	30		CCEDRM
N#CCOc1cccc(CC(=O)NCCC(=O)[O-])c1	ZINC000821324872	597454975	/nfs/dbraw/zinc/45/49/75/597454975.db2.gz	VGGNZCQNDVGGOI-UHFFFAOYSA-N	-1	0	262.265	0.722	20	30		CCEDRM
N#CCN1CCC[C@H](CNC(=O)CSCC(=O)[O-])C1	ZINC000819091029	597484446	/nfs/dbraw/zinc/48/44/46/597484446.db2.gz	OCSXFPJKQYUXFX-SNVBAGLBSA-N	-1	0	285.369	0.156	20	30		CCEDRM
C[C@@](C#N)(CC(=O)[O-])C(=O)NCCOc1ncccc1F	ZINC000819841586	597603427	/nfs/dbraw/zinc/60/34/27/597603427.db2.gz	BJYMERHPZSDYGV-ZDUSSCGKSA-N	-1	0	295.270	0.720	20	30		CCEDRM
C[C@H]1COCCN(C(=O)[C@@](C)(C#N)CC(=O)[O-])C1	ZINC000820251895	597603764	/nfs/dbraw/zinc/60/37/64/597603764.db2.gz	PTUYBTLOWCYWNM-BXKDBHETSA-N	-1	0	254.286	0.486	20	30		CCEDRM
Cn1ccnc1[C@@H]1CCN(C(=O)[C@](C)(C#N)CC(=O)[O-])C1	ZINC000821305013	597604884	/nfs/dbraw/zinc/60/48/84/597604884.db2.gz	NTWJGVNFNUHQCL-YGRLFVJLSA-N	-1	0	290.323	0.741	20	30		CCEDRM
C[C@](C#N)(CC(=O)[O-])C(=O)N1CCN2C(=O)OCC[C@H]2C1	ZINC000819822435	597605605	/nfs/dbraw/zinc/60/56/05/597605605.db2.gz	NVDMAVVMYUJRRI-TVQRCGJNSA-N	-1	0	295.295	0.044	20	30		CCEDRM
C[C@H](OC(=O)[C@](C)(C#N)CC(=O)[O-])C(=O)NC(C)(C)C	ZINC000820160557	597617145	/nfs/dbraw/zinc/61/71/45/597617145.db2.gz	GQKVLZWCOUQCOS-SDBXPKJASA-N	-1	0	284.312	0.837	20	30		CCEDRM
C[C@@H]1CCCCN1C(=O)COC(=O)[C@](C)(C#N)CC(=O)[O-]	ZINC000820235677	597622420	/nfs/dbraw/zinc/62/24/20/597622420.db2.gz	RRONJAAQLOMWIS-YGRLFVJLSA-N	-1	0	296.323	0.935	20	30		CCEDRM
C[C@@](C#N)(CC(=O)[O-])C(=O)OCCC1OCCCO1	ZINC000819865877	597624706	/nfs/dbraw/zinc/62/47/06/597624706.db2.gz	PFMPHHMTPBMJGB-LBPRGKRZSA-N	-1	0	271.269	0.687	20	30		CCEDRM
C[C@@H](OC(=O)[C@@](C)(C#N)CC(=O)[O-])C(=O)N(C)CCC#N	ZINC000820160724	597626192	/nfs/dbraw/zinc/62/61/92/597626192.db2.gz	HMUNUCJSGHJONN-NOZJJQNGSA-N	-1	0	295.295	0.295	20	30		CCEDRM
C[C@](C#N)(CC(=O)[O-])C(=O)NC[C@H]1CCC[C@H](O)C1	ZINC000819833555	597649654	/nfs/dbraw/zinc/64/96/54/597649654.db2.gz	HSELSUJYGCASDL-OUJBWJOFSA-N	-1	0	268.313	0.658	20	30		CCEDRM
C[C@](C#N)(CC(=O)[O-])C(=O)N1CCC2(CNC(=O)C2)CC1	ZINC000819811107	597652882	/nfs/dbraw/zinc/65/28/82/597652882.db2.gz	JZPMAHQRHPJUFS-CYBMUJFWSA-N	-1	0	293.323	0.120	20	30		CCEDRM
C[C@](C#N)(CC(=O)[O-])C(=O)N[C@H]1CCCc2c[nH]nc21	ZINC000819824130	597656694	/nfs/dbraw/zinc/65/66/94/597656694.db2.gz	XUILXRIUXWBZPT-TVQRCGJNSA-N	-1	0	276.296	0.908	20	30		CCEDRM
C[C@@H](NC(=O)[C@@](C)(C#N)CC(=O)[O-])c1cn[nH]c1	ZINC000820115862	597660062	/nfs/dbraw/zinc/66/00/62/597660062.db2.gz	ZTHBXVHXYVXOOT-RDDDGLTNSA-N	-1	0	250.258	0.591	20	30		CCEDRM
O=C([O-])CCNN=Cc1ccc(-n2cncn2)cc1	ZINC000821524508	597741392	/nfs/dbraw/zinc/74/13/92/597741392.db2.gz	KZERRNZRVWRKRO-UHFFFAOYSA-N	-1	0	259.269	0.666	20	30		CCEDRM
C[C@@H](C(=O)NC1(C#N)CCCCC1)N(C)CC(=O)[O-]	ZINC000819882614	598042434	/nfs/dbraw/zinc/04/24/34/598042434.db2.gz	AEYBFAGXYCSKAM-JTQLQIEISA-N	-1	0	267.329	0.734	20	30		CCEDRM
N#Cc1cnn(C(=O)c2cccc(C(=O)[O-])c2)c1N	ZINC000821340671	598153642	/nfs/dbraw/zinc/15/36/42/598153642.db2.gz	WDEZGDDXNZZGJW-UHFFFAOYSA-N	-1	0	256.221	0.724	20	30		CCEDRM
Cc1cc(NC(=O)C(=O)NC[C@H](C)C#N)ccc1C(=O)[O-]	ZINC000820996852	598170956	/nfs/dbraw/zinc/17/09/56/598170956.db2.gz	KRMNQLGQMPXKRH-MRVPVSSYSA-N	-1	0	289.291	0.908	20	30		CCEDRM
C[C@](C#N)(CC(=O)[O-])C(=O)NCC(=O)Nc1ccccc1	ZINC000819835538	598224396	/nfs/dbraw/zinc/22/43/96/598224396.db2.gz	WITUXXCPSUHDQN-CQSZACIVSA-N	-1	0	289.291	0.746	20	30		CCEDRM
C[C@](C#N)(CC(=O)[O-])C(=O)NCCc1nccs1	ZINC000819841798	598225752	/nfs/dbraw/zinc/22/57/52/598225752.db2.gz	DISFMEFLNVVEBV-LLVKDONJSA-N	-1	0	267.310	0.806	20	30		CCEDRM
C[C@@](C#N)(CC(=O)[O-])C(=O)NCC1CCOCC1	ZINC000819835014	598225799	/nfs/dbraw/zinc/22/57/99/598225799.db2.gz	RMOUIWHEGYFNBG-LBPRGKRZSA-N	-1	0	254.286	0.534	20	30		CCEDRM
C[C@@](C#N)(CC(=O)[O-])C(=O)N[C@@H]1CCc2nccn2C1	ZINC000819835520	598226055	/nfs/dbraw/zinc/22/60/55/598226055.db2.gz	WBLFJKXBWUHSNQ-RNCFNFMXSA-N	-1	0	276.296	0.319	20	30		CCEDRM
Cc1nn(C)cc1[C@H](C)NC(=O)[C@@](C)(C#N)CC(=O)[O-]	ZINC000821209371	598227583	/nfs/dbraw/zinc/22/75/83/598227583.db2.gz	UUBNPGMEBMKOKZ-ISVAXAHUSA-N	-1	0	278.312	0.910	20	30		CCEDRM
Cc1nn(C)cc1NC(=O)[C@](C)(C#N)CC(=O)[O-]	ZINC000821209181	598228520	/nfs/dbraw/zinc/22/85/20/598228520.db2.gz	OTDDDSWOYIJIHO-NSHDSACASA-N	-1	0	250.258	0.672	20	30		CCEDRM
C[C@@](C#N)(CC(=O)[O-])C(=O)N1CC[C@@]2(CCOC2)C1	ZINC000819811091	598229938	/nfs/dbraw/zinc/22/99/38/598229938.db2.gz	JTRJUCDOLWFOOQ-QWHCGFSZSA-N	-1	0	266.297	0.630	20	30		CCEDRM
COc1cc(C)cc(C(=O)N[C@H]2CCCN(O)C2=O)c1O	ZINC000816757543	617175096	/nfs/dbraw/zinc/17/50/96/617175096.db2.gz	VAUYBRYLDNBJHL-JTQLQIEISA-N	-1	0	294.307	0.819	20	30		CCEDRM
Cc1ccncc1C(=O)Nc1nc(C#N)c(-c2nn[nH]n2)[n-]1	ZINC000822379626	599314316	/nfs/dbraw/zinc/31/43/16/599314316.db2.gz	ROPOGKCLJGEWGO-UHFFFAOYSA-N	-1	0	295.266	0.417	20	30		CCEDRM
C#CCO[C@@H](C)C(=O)NC[C@@H](CC1CC1)C(=O)[O-]	ZINC000909882738	612996272	/nfs/dbraw/zinc/99/62/72/612996272.db2.gz	YRXHXMCRPURGFW-GXSJLCMTSA-N	-1	0	253.298	0.642	20	30		CCEDRM
C#CCO[C@H](C)C(=O)N1C2CCC1(C(=O)[O-])CC2	ZINC000910296848	612999074	/nfs/dbraw/zinc/99/90/74/612999074.db2.gz	ZKAMUKAQPCXJOV-TTXORMCVSA-N	-1	0	251.282	0.633	20	30		CCEDRM
C#CCO[C@H](C)C(=O)N[C@@]1(C(=O)[O-])CCSC1	ZINC000909357598	613003118	/nfs/dbraw/zinc/00/31/18/613003118.db2.gz	OBTSRTRTROYGAU-KCJUWKMLSA-N	-1	0	257.311	0.101	20	30		CCEDRM
CCC[C@@](C)(NS(=O)(=O)c1ccc(C#N)nc1)C(=O)[O-]	ZINC000228697188	599724934	/nfs/dbraw/zinc/72/49/34/599724934.db2.gz	JWJOHPAIBLESIA-GFCCVEGCSA-N	-1	0	297.336	0.875	20	30		CCEDRM
C#CCNC(=O)N1C[C@@H](C(=O)[O-])C[C@@H](c2cnn(C)c2)C1	ZINC000864345253	612946607	/nfs/dbraw/zinc/94/66/07/612946607.db2.gz	RPHRROFOYURPQB-MNOVXSKESA-N	-1	0	290.323	0.253	20	30		CCEDRM
C#CC1(F)CN(C(=O)C(C)(C)[N-]C(=O)C(F)(F)F)C1	ZINC000881940694	612946541	/nfs/dbraw/zinc/94/65/41/612946541.db2.gz	JXRIQODFJGTYNX-UHFFFAOYSA-N	-1	0	280.221	0.627	20	30		CCEDRM
C#CCSCC(=O)NCCCc1cc(=O)[nH][nH]1	ZINC000908231217	613011818	/nfs/dbraw/zinc/01/18/18/613011818.db2.gz	HHQZDWGCKVVOAT-UHFFFAOYSA-N	-1	0	253.327	0.125	20	30		CCEDRM
C[C@H](CC#N)N(C)S(=O)(=O)CC1(CC(=O)[O-])CC1	ZINC000827218428	601131471	/nfs/dbraw/zinc/13/14/71/601131471.db2.gz	PWFZZNMTATUKCB-SECBINFHSA-N	-1	0	274.342	0.805	20	30		CCEDRM
Cn1cc(C#N)c(NC(=O)NC2(CC(=O)[O-])CCC2)n1	ZINC000833040713	601138236	/nfs/dbraw/zinc/13/82/36/601138236.db2.gz	QGLGIYOUEMAWRJ-UHFFFAOYSA-N	-1	0	277.284	0.811	20	30		CCEDRM
C#CCSCC(=O)N[C@@H](c1nc(=O)o[n-]1)C(C)(C)C	ZINC000911590772	613013543	/nfs/dbraw/zinc/01/35/43/613013543.db2.gz	ZMVCFCJTDRDTLB-VIFPVBQESA-N	-1	0	283.353	0.933	20	30		CCEDRM
N#CCN(CC(=O)[O-])C[C@@H](O)c1cccc(F)c1	ZINC000833067015	601226916	/nfs/dbraw/zinc/22/69/16/601226916.db2.gz	NOLIUIUNNXDZQW-LLVKDONJSA-N	-1	0	252.245	0.769	20	30		CCEDRM
CS(=O)(=O)NN=Cc1cn(CC(=O)[O-])c2ccccc12	ZINC000799880915	617176828	/nfs/dbraw/zinc/17/68/28/617176828.db2.gz	JGIPGAPMQXZDPS-UHFFFAOYSA-N	-1	0	295.320	0.609	20	30		CCEDRM
COC(=O)C[C@H](NC(=O)C#Cc1ccccc1)C(=O)[O-]	ZINC000071337065	601273990	/nfs/dbraw/zinc/27/39/90/601273990.db2.gz	MDTGMCQDYKJBRV-NSHDSACASA-N	-1	0	275.260	0.171	20	30		CCEDRM
C[C@@](C#N)(NC(=O)CN1CC[C@](F)(C(=O)[O-])C1)C1CC1	ZINC000825966976	601436826	/nfs/dbraw/zinc/43/68/26/601436826.db2.gz	PNVUJTQYDNSHDZ-QWHCGFSZSA-N	-1	0	283.303	0.293	20	30		CCEDRM
N#C[C@H]1CCC[C@H]1NS(=O)(=O)c1ccc(C(=O)[O-])o1	ZINC000061890054	601476687	/nfs/dbraw/zinc/47/66/87/601476687.db2.gz	URSJOFUFHJGBJV-HTQZYQBOSA-N	-1	0	284.293	0.948	20	30		CCEDRM
N#Cc1ccc(C(=O)N[C@@H](CC(=O)[O-])C2CC2)nc1	ZINC000135249540	601521574	/nfs/dbraw/zinc/52/15/74/601521574.db2.gz	WIOWWFGIRFNOGF-NSHDSACASA-N	-1	0	259.265	0.936	20	30		CCEDRM
N#Cc1cccc([C@H](Nc2ccn(CCO)n2)C(=O)[O-])c1	ZINC000833076358	601604059	/nfs/dbraw/zinc/60/40/59/601604059.db2.gz	UMQJNRGUJXHCJV-ZDUSSCGKSA-N	-1	0	286.291	0.985	20	30		CCEDRM
N#Cc1ccc([C@H](Nc2ccn(CCO)n2)C(=O)[O-])cc1	ZINC000833071191	601604092	/nfs/dbraw/zinc/60/40/92/601604092.db2.gz	CWRSNGYPASHKSE-ZDUSSCGKSA-N	-1	0	286.291	0.985	20	30		CCEDRM
C#CCSCCNC(=O)CC1(C(=O)[O-])CCOCC1	ZINC000911423999	613015457	/nfs/dbraw/zinc/01/54/57/613015457.db2.gz	NFIYYAKWQJUHDJ-UHFFFAOYSA-N	-1	0	285.365	0.741	20	30		CCEDRM
Cn1ccnc(N=NCc2c[nH]c(C(=O)[O-])c2)c1=O	ZINC000814862299	601797869	/nfs/dbraw/zinc/79/78/69/601797869.db2.gz	IEBOZEARXUMYSG-UHFFFAOYSA-N	-1	0	261.241	0.253	20	30		CCEDRM
C#CC1(F)CN(C(=O)c2ccc([N-]S(C)(=O)=O)nc2)C1	ZINC000881936910	612949188	/nfs/dbraw/zinc/94/91/88/612949188.db2.gz	JQBICAVXQWPHAR-UHFFFAOYSA-N	-1	0	297.311	0.250	20	30		CCEDRM
C[C@@H](CC(=O)[O-])C(=O)N1CCN(C2CC2)[C@@H](C#N)C1	ZINC000827261694	602158303	/nfs/dbraw/zinc/15/83/03/602158303.db2.gz	ADLCHDOUEOLMEG-ONGXEEELSA-N	-1	0	265.313	0.296	20	30		CCEDRM
C[C@H](CC(=O)[O-])C(=O)O[C@@H](C(N)=O)c1ccc(C#N)cc1	ZINC000827325090	602279505	/nfs/dbraw/zinc/27/95/05/602279505.db2.gz	OYAIKFRAQOJWEW-PRHODGIISA-N	-1	0	290.275	0.739	20	30		CCEDRM
CN(CCCNC(=O)NC1CCN(CC#N)CC1)C(=O)[O-]	ZINC000739670413	602562738	/nfs/dbraw/zinc/56/27/38/602562738.db2.gz	PJUJLDZCDZJUNF-UHFFFAOYSA-N	-1	0	297.359	0.273	20	30		CCEDRM
C#CC1(NC(=O)[C@H](C)O[C@H](C)C(=O)[O-])CCCC1	ZINC000887316195	612950064	/nfs/dbraw/zinc/95/00/64/612950064.db2.gz	LUOXMZJGMOELCT-VHSXEESVSA-N	-1	0	253.298	0.927	20	30		CCEDRM
N#Cc1cnn(C(=O)[C@H]2CCC[C@@H](NC(=O)[O-])C2)c1N	ZINC000831162264	603520862	/nfs/dbraw/zinc/52/08/62/603520862.db2.gz	ZPMOLNVVLOVIPN-IONNQARKSA-N	-1	0	277.284	0.804	20	30		CCEDRM
N#CCN1CCN(C(=O)[C@H]2CCC[C@H](NC(=O)[O-])C2)CC1	ZINC000831102823	603626697	/nfs/dbraw/zinc/62/66/97/603626697.db2.gz	VNNNDAHJENVSCC-RYUDHWBXSA-N	-1	0	294.355	0.481	20	30		CCEDRM
N#CCN1C(=O)N[C@]2(CCCC[C@@H]2CNC(=O)[O-])C1=O	ZINC000831097212	603676880	/nfs/dbraw/zinc/67/68/80/603676880.db2.gz	FORMHIXRFROJBA-PELKAZGASA-N	-1	0	280.284	0.258	20	30		CCEDRM
C[C@H](C#N)C(=O)NC[C@@H]1[C@H](C)OC(C)(C)N1C(=O)[O-]	ZINC000823647755	603810793	/nfs/dbraw/zinc/81/07/93/603810793.db2.gz	NICIBZSRJJFVAT-HRDYMLBCSA-N	-1	0	269.301	0.766	20	30		CCEDRM
N#Cc1c[nH]c(C(=O)NCCN(C(=O)[O-])C2CC2)c1	ZINC000831114693	603876055	/nfs/dbraw/zinc/87/60/55/603876055.db2.gz	RDYMJBDYADLLCX-UHFFFAOYSA-N	-1	0	262.269	0.759	20	30		CCEDRM
N#CC1(NC(=O)COC2CN(C(=O)[O-])C2)CCCC1	ZINC000831076252	604002472	/nfs/dbraw/zinc/00/24/72/604002472.db2.gz	ISITVKLYEHSHOW-UHFFFAOYSA-N	-1	0	267.285	0.318	20	30		CCEDRM
N#CCCNC(=O)COC(=O)c1ccc(CNC(=O)[O-])o1	ZINC000831097627	604016189	/nfs/dbraw/zinc/01/61/89/604016189.db2.gz	NWNCXSFTNXKBGE-UHFFFAOYSA-N	-1	0	295.251	0.234	20	30		CCEDRM
N#C[C@@H]1CCC[C@@H]1NC(=O)CC1CN(C(=O)[O-])C1	ZINC000831077321	604029950	/nfs/dbraw/zinc/02/99/50/604029950.db2.gz	ZDVLVGXBZAHTOA-UWVGGRQHSA-N	-1	0	251.286	0.795	20	30		CCEDRM
COc1ccnc(C(=O)N2CCN(C(=O)[O-])C[C@@H]2C#N)c1	ZINC000829649899	604076150	/nfs/dbraw/zinc/07/61/50/604076150.db2.gz	MMYDCMGYLTUSNE-VIFPVBQESA-N	-1	0	290.279	0.418	20	30		CCEDRM
Cn1cc(C#N)c(NC(=O)N2CC[C@H](CNC(=O)[O-])C2)n1	ZINC000830984298	604154588	/nfs/dbraw/zinc/15/45/88/604154588.db2.gz	BIRKDXHXAVAVBL-MRVPVSSYSA-N	-1	0	292.299	0.413	20	30		CCEDRM
N#C[C@H](C(=O)NC1CC1)C(=O)[C@@H]1CCC[C@H](NC(=O)[O-])C1	ZINC000831064694	604223107	/nfs/dbraw/zinc/22/31/07/604223107.db2.gz	LIOKMYQRAQREQF-MIMYLULJSA-N	-1	0	293.323	0.800	20	30		CCEDRM
N#Cc1ncn(CC(=O)Nc2ccc(CC(=O)[O-])cc2)n1	ZINC000833078094	604272622	/nfs/dbraw/zinc/27/26/22/604272622.db2.gz	BWCXAEKTQKPJQS-UHFFFAOYSA-N	-1	0	285.263	0.416	20	30		CCEDRM
C[C@H](CC(=O)Nc1ncc(C#N)s1)NC(=O)[O-]	ZINC000824711299	604345025	/nfs/dbraw/zinc/34/50/25/604345025.db2.gz	UEOCEHUVIIUKLF-RXMQYKEDSA-N	-1	0	254.271	0.999	20	30		CCEDRM
C[C@H]1CN(c2nccnc2C#N)CCN1CCNC(=O)[O-]	ZINC000826086941	604371184	/nfs/dbraw/zinc/37/11/84/604371184.db2.gz	FIGNBTZTAMGNBX-JTQLQIEISA-N	-1	0	290.327	0.126	20	30		CCEDRM
O=C([O-])NC1(C(=O)NCC#Cc2ccccc2)CC1	ZINC000832163651	604425410	/nfs/dbraw/zinc/42/54/10/604425410.db2.gz	YEIBQMFTBPVRPU-UHFFFAOYSA-N	-1	0	258.277	0.955	20	30		CCEDRM
N#Cc1ccnc(N2CCN(C(=O)[O-])CC2)c1[N+](=O)[O-]	ZINC000831156507	604441983	/nfs/dbraw/zinc/44/19/83/604441983.db2.gz	AMHJBRVJILUFIA-UHFFFAOYSA-N	-1	0	277.240	0.661	20	30		CCEDRM
C#CC[C@@H](NC(=O)Cc1ncccc1OC)C(=O)[O-]	ZINC000910050712	613040300	/nfs/dbraw/zinc/04/03/00/613040300.db2.gz	NZVAMTSUMTUEDF-SECBINFHSA-N	-1	0	262.265	0.225	20	30		CCEDRM
C[C@@H](NC(=O)[O-])[C@H]1CN(C(=O)C2(C#N)CCCC2)CCO1	ZINC000825296105	604714142	/nfs/dbraw/zinc/71/41/42/604714142.db2.gz	ZEYTUMBBTWARSJ-GHMZBOCLSA-N	-1	0	295.339	0.954	20	30		CCEDRM
N#CC1(NC(=O)[C@@H]2CN(C(=O)[O-])CCO2)CCCC1	ZINC000831070605	604837218	/nfs/dbraw/zinc/83/72/18/604837218.db2.gz	ORJNHYZLDALGEZ-VIFPVBQESA-N	-1	0	267.285	0.318	20	30		CCEDRM
N#CC1(NC(=O)C[C@H]2CN(C(=O)[O-])CCO2)CCCC1	ZINC000831070981	604837566	/nfs/dbraw/zinc/83/75/66/604837566.db2.gz	WHXLCRXKGITRHJ-JTQLQIEISA-N	-1	0	281.312	0.708	20	30		CCEDRM
C#CCNS(=O)(=O)c1ccc(OC)c(C(=O)[O-])c1OC	ZINC000833364128	604875744	/nfs/dbraw/zinc/87/57/44/604875744.db2.gz	KFHGMVKXKHWHEU-UHFFFAOYSA-N	-1	0	299.304	0.314	20	30		CCEDRM
N#CCCn1ccc(NC(=O)[C@@H]2CN(C(=O)[O-])CCO2)n1	ZINC000831097956	604927756	/nfs/dbraw/zinc/92/77/56/604927756.db2.gz	ZREVZKCGBYIVDN-VIFPVBQESA-N	-1	0	293.283	0.114	20	30		CCEDRM
N#CCCn1ccc(NC(=O)[C@H]2CN(C(=O)[O-])CCO2)n1	ZINC000831097955	604927827	/nfs/dbraw/zinc/92/78/27/604927827.db2.gz	ZREVZKCGBYIVDN-SECBINFHSA-N	-1	0	293.283	0.114	20	30		CCEDRM
C[C@@H](C(N)=O)N(C)[C@H](C(=O)[O-])c1cccc(C#N)c1	ZINC000833406668	604972611	/nfs/dbraw/zinc/97/26/11/604972611.db2.gz	DEIKILSNGKGTLG-KWQFWETISA-N	-1	0	261.281	0.490	20	30		CCEDRM
CC(C)(C#N)CNS(=O)(=O)c1ccc(C(=O)[O-])nc1	ZINC000833412688	605084688	/nfs/dbraw/zinc/08/46/88/605084688.db2.gz	FBAWLOPWPNVUFR-UHFFFAOYSA-N	-1	0	283.309	0.608	20	30		CCEDRM
C[C@H]1CN(C(=O)NCC(C)(C)C#N)C[C@@H]1C(=O)[O-]	ZINC000833622759	605121880	/nfs/dbraw/zinc/12/18/80/605121880.db2.gz	NZTWWZIRDMRJCK-IUCAKERBSA-N	-1	0	253.302	0.898	20	30		CCEDRM
C[C@@]1(C(=O)OC2CCN(CC#N)CC2)CCN(C(=O)[O-])C1	ZINC000825684373	605269121	/nfs/dbraw/zinc/26/91/21/605269121.db2.gz	FOYSIBAEVBSGJI-CQSZACIVSA-N	-1	0	295.339	0.908	20	30		CCEDRM
N#CCN1CCC(OC(=O)[C@@H]2CSCN2C(=O)[O-])CC1	ZINC000831102833	605269615	/nfs/dbraw/zinc/26/96/15/605269615.db2.gz	WAFISFYTBMHIST-JTQLQIEISA-N	-1	0	299.352	0.570	20	30		CCEDRM
N#C[C@H]1CN(C(=O)CN(C(=O)[O-])c2ccccc2)CCO1	ZINC000831077302	605299546	/nfs/dbraw/zinc/29/95/46/605299546.db2.gz	YTHJWERYLIBZTC-LBPRGKRZSA-N	-1	0	289.291	0.922	20	30		CCEDRM
Cn1cc(C#N)cc1C(=O)NC[C@@H]1CCN(C(=O)[O-])C1	ZINC000833944956	605311360	/nfs/dbraw/zinc/31/13/60/605311360.db2.gz	KXGILBBKAJBQDE-VIFPVBQESA-N	-1	0	276.296	0.626	20	30		CCEDRM
N#CC1(CN2C(=O)NC3(CCN(C(=O)[O-])CC3)C2=O)CC1	ZINC000833964022	605388495	/nfs/dbraw/zinc/38/84/95/605388495.db2.gz	BIZYERDAODWFLB-UHFFFAOYSA-N	-1	0	292.295	0.355	20	30		CCEDRM
N#Cc1cccc(COC(=O)[C@H](CC(N)=O)NC(=O)[O-])c1	ZINC000833978766	605416966	/nfs/dbraw/zinc/41/69/66/605416966.db2.gz	WQVCVCICAWJNHD-JTQLQIEISA-N	-1	0	291.263	0.113	20	30		CCEDRM
N#CCN(CC#N)C(=O)CC[C@@H]1CCN(C(=O)[O-])C1	ZINC000833966384	605443760	/nfs/dbraw/zinc/44/37/60/605443760.db2.gz	FIHLWFQTHVVOBP-SNVBAGLBSA-N	-1	0	264.285	0.642	20	30		CCEDRM
C#CCCNC(=O)N1CC[C@@H](NC(=O)[O-])C[C@@H]1C	ZINC000823444764	613047047	/nfs/dbraw/zinc/04/70/47/613047047.db2.gz	PZDLDNYYEHGGLV-VHSXEESVSA-N	-1	0	253.302	0.840	20	30		CCEDRM
N#C[C@H]1CN(C(=O)[O-])CCN1C(=O)c1cc(F)ccc1O	ZINC000833968125	605654931	/nfs/dbraw/zinc/65/49/31/605654931.db2.gz	UMCLPCUOEVOQLT-VIFPVBQESA-N	-1	0	293.254	0.859	20	30		CCEDRM
N#C[C@@H]1CN(C(=O)[O-])C[C@@H]1NC[C@H](O)c1ccc(F)cc1	ZINC000833968692	605683670	/nfs/dbraw/zinc/68/36/70/605683670.db2.gz	XLKNBOFBTCTTJF-WXHSDQCUSA-N	-1	0	293.298	0.951	20	30		CCEDRM
N#C[C@H](NC(=O)CO[C@@H]1CCCN(C(=O)[O-])C1)C1CC1	ZINC000831070332	605712436	/nfs/dbraw/zinc/71/24/36/605712436.db2.gz	JIARKWJYRSIBSH-MNOVXSKESA-N	-1	0	281.312	0.564	20	30		CCEDRM
N#Cc1cc(NC(=O)[C@@H](CC(N)=O)NC(=O)[O-])ccc1F	ZINC000833974985	605755956	/nfs/dbraw/zinc/75/59/56/605755956.db2.gz	PJTOSFWNEXCXIW-SECBINFHSA-N	-1	0	294.242	0.147	20	30		CCEDRM
N#Cc1c[nH]c(C(=O)NC[C@H](NC(=O)[O-])C2CC2)c1	ZINC000833970624	605815464	/nfs/dbraw/zinc/81/54/64/605815464.db2.gz	WQXUSCLCIDOFKW-JTQLQIEISA-N	-1	0	262.269	0.662	20	30		CCEDRM
N#CCn1cc(NC(=O)CCCCNC(=O)[O-])cn1	ZINC000833970568	605892960	/nfs/dbraw/zinc/89/29/60/605892960.db2.gz	VKRGNEUGRVUMFL-UHFFFAOYSA-N	-1	0	265.273	0.783	20	30		CCEDRM
N#Cc1cccc(NCC(=O)N2CCN(C(=O)[O-])CC2)n1	ZINC000833975785	606061854	/nfs/dbraw/zinc/06/18/54/606061854.db2.gz	GATQAZMGLDIXPL-UHFFFAOYSA-N	-1	0	289.295	0.187	20	30		CCEDRM
N#CCC1(COC(=O)CCOC2CN(C(=O)[O-])C2)CC1	ZINC000833969900	606111125	/nfs/dbraw/zinc/11/11/25/606111125.db2.gz	YKTIRRHGYJFSSC-UHFFFAOYSA-N	-1	0	282.296	0.992	20	30		CCEDRM
C#CCCS(=O)(=O)[N-]C(=O)C[C@H](OCC)C(=C)C	ZINC000810780875	613052912	/nfs/dbraw/zinc/05/29/12/613052912.db2.gz	VLSKFHIKAPPWFK-NSHDSACASA-N	-1	0	273.354	0.827	20	30		CCEDRM
C#CCCS(=O)(=O)[N-]C(=O)[C@@H](C)CCCOC	ZINC000810780981	613052914	/nfs/dbraw/zinc/05/29/14/613052914.db2.gz	YVMPTRYSTSGQQX-JTQLQIEISA-N	-1	0	261.343	0.518	20	30		CCEDRM
C#CCCS(=O)(=O)[N-]C(=O)[C@H]1[C@@H](C)[C@H](C)O[C@H]1C	ZINC000860722060	613053163	/nfs/dbraw/zinc/05/31/63/613053163.db2.gz	RAYNARGUTMMPQS-NAKRPEOUSA-N	-1	0	273.354	0.515	20	30		CCEDRM
C#CC[C@H](NC(=O)[C@@H](C)OC[C@@H]1CCCO1)C(=O)[O-]	ZINC000910052629	613068518	/nfs/dbraw/zinc/06/85/18/613068518.db2.gz	DBGLONKCHPJCPP-VWYCJHECSA-N	-1	0	269.297	0.163	20	30		CCEDRM
C#CC[C@H](NC(=O)c1ccnc(OC(F)F)c1)C(=O)[O-]	ZINC000910050858	613070338	/nfs/dbraw/zinc/07/03/38/613070338.db2.gz	OWERQBDYUIKWRL-QMMMGPOBSA-N	-1	0	284.218	0.889	20	30		CCEDRM
C#CC[C@H](NC(=O)c1cnn(CCCOC)c1)C(=O)[O-]	ZINC000910049603	613070660	/nfs/dbraw/zinc/07/06/60/613070660.db2.gz	YLNMCELRIBQCPX-NSHDSACASA-N	-1	0	279.296	0.126	20	30		CCEDRM
C#CCn1cc(CNC(=O)c2[nH]nc(C)c2[O-])cn1	ZINC000834609687	613077978	/nfs/dbraw/zinc/07/79/78/613077978.db2.gz	HKBVWCXCKPUSSW-UHFFFAOYSA-N	-1	0	259.269	0.183	20	30		CCEDRM
C#C[C@@H](C)N(C)C(=O)NCC1(C(=O)[O-])CCOCC1	ZINC000831062749	613079279	/nfs/dbraw/zinc/07/92/79/613079279.db2.gz	OUJHWCYFWTYNNT-SNVBAGLBSA-N	-1	0	268.313	0.531	20	30		CCEDRM
N#Cc1cccc(Cn2cnc(-c3nnn[n-]3)n2)c1F	ZINC000826386565	608670121	/nfs/dbraw/zinc/67/01/21/608670121.db2.gz	JVGSMGZLWBTSBE-UHFFFAOYSA-N	-1	0	270.231	0.517	20	30		CCEDRM
C#CCC(C)(C)C(=O)[N-]S(=O)(=O)c1cnn(CC)c1	ZINC000810609584	612966127	/nfs/dbraw/zinc/96/61/27/612966127.db2.gz	CCZWQRXDKSNRJB-UHFFFAOYSA-N	-1	0	283.353	0.757	20	30		CCEDRM
C=CCS(=O)(=O)[N-]C(=O)c1cc(C)cc(C)n1	ZINC000802121549	613886264	/nfs/dbraw/zinc/88/62/64/613886264.db2.gz	HDEQLRTYLLLOSP-UHFFFAOYSA-N	-1	0	254.311	0.944	20	30		CCEDRM
C#CCCCC(=O)N1CCSC[C@@H]1c1nnn[n-]1	ZINC000907480910	612974761	/nfs/dbraw/zinc/97/47/61/612974761.db2.gz	XEFWLLNLNRDSHI-SECBINFHSA-N	-1	0	265.342	0.620	20	30		CCEDRM
C#CCCCCC(=O)[N-]S(=O)(=O)CC1(C#N)CC1	ZINC000793204246	612975839	/nfs/dbraw/zinc/97/58/39/612975839.db2.gz	LDYJGXVURIQXHV-UHFFFAOYSA-N	-1	0	268.338	0.930	20	30		CCEDRM
C#CCOCCC(=O)N(C[C@H](C)C(=O)[O-])C1CC1	ZINC000833364383	612977297	/nfs/dbraw/zinc/97/72/97/612977297.db2.gz	PWBNYMVFCYFXBE-JTQLQIEISA-N	-1	0	253.298	0.738	20	30		CCEDRM
COc1ccc(C(=O)[N-]S(=O)(=O)CCC#N)c(C)c1	ZINC000821584078	617231080	/nfs/dbraw/zinc/23/10/80/617231080.db2.gz	QRTAOFCIPQCAHM-UHFFFAOYSA-N	-1	0	282.321	0.977	20	30		CCEDRM
COc1ccc(C=NNCCO)c(OCC(=O)[O-])c1	ZINC000814942527	617238367	/nfs/dbraw/zinc/23/83/67/617238367.db2.gz	HCQIGZPOYBLFOU-UHFFFAOYSA-N	-1	0	268.269	0.074	20	30		CCEDRM
CSCCCn1c(N)nc(-c2nnn[n-]2)c1C#N	ZINC000821969751	617235672	/nfs/dbraw/zinc/23/56/72/617235672.db2.gz	DXAOILOERNOCFK-UHFFFAOYSA-N	-1	0	264.318	0.270	20	30		CCEDRM
COc1ccc(CNC(=O)[C@H](C)C(=O)[O-])cc1C#N	ZINC000902692984	617256159	/nfs/dbraw/zinc/25/61/59/617256159.db2.gz	JVTCKZDIKQNBFI-QMMMGPOBSA-N	-1	0	262.265	0.904	20	30		CCEDRM
C[C@@H](C#N)CN(C)S(=O)(=O)N[C@H](CC1CC1)C(=O)[O-]	ZINC000844797077	617295854	/nfs/dbraw/zinc/29/58/54/617295854.db2.gz	AOWXHJZXOHMRGL-WCBMZHEXSA-N	-1	0	289.357	0.166	20	30		CCEDRM
COc1cccc(CNC(=O)[C@](C)(C#N)CC(=O)[O-])n1	ZINC000820865225	617299508	/nfs/dbraw/zinc/29/95/08/617299508.db2.gz	HZOXJVHVGJQXMF-ZDUSSCGKSA-N	-1	0	277.280	0.711	20	30		CCEDRM
C[C@@H](C(=O)N1CCN(C(=O)[O-])C[C@@H]1C#N)C1CC1	ZINC000823668705	617304408	/nfs/dbraw/zinc/30/44/08/617304408.db2.gz	GKEPTGYVEQZJAX-SCZZXKLOSA-N	-1	0	251.286	0.747	20	30		CCEDRM
C#CC1(O)CN(S(=O)(=O)c2ccc(C)c(C(=O)[O-])c2)C1	ZINC000907128517	612961865	/nfs/dbraw/zinc/96/18/65/612961865.db2.gz	SBKICIQBXPZLIM-UHFFFAOYSA-N	-1	0	295.316	0.062	20	30		CCEDRM
C#CCC(C)(C)C(=O)[N-]S(=O)(=O)CC(F)F	ZINC000851363930	612965631	/nfs/dbraw/zinc/96/56/31/612965631.db2.gz	YJWFHZIKVZBMJX-UHFFFAOYSA-N	-1	0	253.270	0.747	20	30		CCEDRM
C#CCCCC(=O)N1CC[C@H](n2cc(C(=O)[O-])nn2)C1	ZINC000910098992	612974822	/nfs/dbraw/zinc/97/48/22/612974822.db2.gz	NNIBWHBIFLNSFG-JTQLQIEISA-N	-1	0	276.296	0.553	20	30		CCEDRM
C#CCCCCNC(=O)C(=O)N1CC[C@H](C)[C@H](C(=O)[O-])C1	ZINC000843257193	612977207	/nfs/dbraw/zinc/97/72/07/612977207.db2.gz	MALFRUKLBLWHJY-NWDGAFQWSA-N	-1	0	294.351	0.475	20	30		CCEDRM
C#CCCCNC(=O)N1CC[C@H](N(C)C(=O)[O-])C1	ZINC000823444047	612981575	/nfs/dbraw/zinc/98/15/75/612981575.db2.gz	CIHRYPILHGANGE-JTQLQIEISA-N	-1	0	253.302	0.794	20	30		CCEDRM
C#CCOCCNC(=O)CC1(CC(=O)[O-])CCC1	ZINC000817571109	612985329	/nfs/dbraw/zinc/98/53/29/612985329.db2.gz	BLUBXGGHJWNPGH-UHFFFAOYSA-N	-1	0	253.298	0.788	20	30		CCEDRM
C#CCOCCOC(=O)[C@H](CC(C)C)NC(=O)[O-]	ZINC000825625593	612990864	/nfs/dbraw/zinc/99/08/64/612990864.db2.gz	IUYLSGRXLUWVJO-JTQLQIEISA-N	-1	0	257.286	0.862	20	30		CCEDRM
C#CCO[N-]C(=O)[C@@H]1CCCN1C(=O)c1ccccc1O	ZINC000812782018	612992672	/nfs/dbraw/zinc/99/26/72/612992672.db2.gz	LZVBRJBSJFYWPX-LBPRGKRZSA-N	-1	0	288.303	0.678	20	30		CCEDRM
C#CCO[N-]C(=O)[C@H](CS(C)(=O)=O)c1ccccc1	ZINC000855606977	612993056	/nfs/dbraw/zinc/99/30/56/612993056.db2.gz	UGOKJVFNGIXDHZ-GFCCVEGCSA-N	-1	0	281.333	0.496	20	30		CCEDRM
C#CCO[N-]C(=O)[C@]1(c2ccccc2)CCC(=O)NC1	ZINC000855606620	612993216	/nfs/dbraw/zinc/99/32/16/612993216.db2.gz	LNQCWKUCADLQMK-OAHLLOKOSA-N	-1	0	272.304	0.515	20	30		CCEDRM
C#CCO[C@@H](C)C(=O)N1CCCC[C@@H]1CC(=O)[O-]	ZINC000909496976	612994431	/nfs/dbraw/zinc/99/44/31/612994431.db2.gz	KNOLGJNZOKDUHQ-WDEREUQCSA-N	-1	0	253.298	0.881	20	30		CCEDRM
COc1cccc([S@@](=O)CC(=O)OCC#N)c1	ZINC000821358108	617310514	/nfs/dbraw/zinc/31/05/14/617310514.db2.gz	GTNJMIGJQAFXQS-KRWDZBQOSA-N	-1	0	253.279	0.870	20	30		CCEDRM
C#CCO[C@@H](C)C(=O)Nc1c(C)nn(CCC(=O)[O-])c1C	ZINC000910303375	612997521	/nfs/dbraw/zinc/99/75/21/612997521.db2.gz	PWKVBLYHLNAPIN-NSHDSACASA-N	-1	0	293.323	0.951	20	30		CCEDRM
C#CCO[C@H](C)C(=O)[N-]S(=O)(=O)c1ccccc1OC	ZINC000835182546	613002158	/nfs/dbraw/zinc/00/21/58/613002158.db2.gz	LSRYHDBJVJDKJZ-SNVBAGLBSA-N	-1	0	297.332	0.538	20	30		CCEDRM
C#CCO[C@H](C)C(=O)[N-]S(=O)(=O)CC(CC)CC	ZINC000835156873	613002219	/nfs/dbraw/zinc/00/22/19/613002219.db2.gz	RPGCRDGNGHAIDY-SNVBAGLBSA-N	-1	0	275.370	0.907	20	30		CCEDRM
C#CCO[C@H](C)C(=O)N[C@@](C)(COC)CC(=O)[O-]	ZINC000909375112	613003092	/nfs/dbraw/zinc/00/30/92/613003092.db2.gz	VLPSRBHDTLXPBF-BXKDBHETSA-N	-1	0	257.286	0.021	20	30		CCEDRM
C#CCO[C@H](C)C(=O)N[C@H](c1nc(=O)o[n-]1)C(C)(C)C	ZINC000911586278	613003284	/nfs/dbraw/zinc/00/32/84/613003284.db2.gz	AIKJGYLBWQWXNN-RKDXNWHRSA-N	-1	0	281.312	0.605	20	30		CCEDRM
C#CCOc1ccccc1CN1CCOC[C@@H]1C(=O)[O-]	ZINC000833367443	613007756	/nfs/dbraw/zinc/00/77/56/613007756.db2.gz	YBRFIVCSRVWKFL-CYBMUJFWSA-N	-1	0	275.304	0.984	20	30		CCEDRM
C#CCCN1CCN(C(=O)c2cncc(C(=O)[O-])c2)CC1	ZINC000833362360	613011175	/nfs/dbraw/zinc/01/11/75/613011175.db2.gz	OCLKKBVJSMEYNR-UHFFFAOYSA-N	-1	0	287.319	0.561	20	30		CCEDRM
C#CC[C@@H](Cc1ccccc1)NC(=O)CCc1nnn[n-]1	ZINC000868277940	613039260	/nfs/dbraw/zinc/03/92/60/613039260.db2.gz	WUEPOJGZDRXUCM-ZDUSSCGKSA-N	-1	0	283.335	0.883	20	30		CCEDRM
C#CC[C@@H](NC(=O)Cc1cn2cc(C)sc2n1)C(=O)[O-]	ZINC000910049621	613040322	/nfs/dbraw/zinc/04/03/22/613040322.db2.gz	YONMXSYQCGTCTO-SNVBAGLBSA-N	-1	0	291.332	0.839	20	30		CCEDRM
C#CC[C@@H](NC(=O)[C@H]1Cc2cccc(C)c2O1)C(=O)[O-]	ZINC000910050150	613041602	/nfs/dbraw/zinc/04/16/02/613041602.db2.gz	GHRCQWBLMDPKJT-VXGBXAGGSA-N	-1	0	273.288	0.891	20	30		CCEDRM
C#CC[C@@H](NC(=O)c1ccc2c(c1)CCOC2)C(=O)[O-]	ZINC000910045770	613042104	/nfs/dbraw/zinc/04/21/04/613042104.db2.gz	GWXJVBNVYPFRLU-CYBMUJFWSA-N	-1	0	273.288	0.966	20	30		CCEDRM
C#CC[C@@H](NC(=O)c1cnc([C@@H](C)O)s1)C(=O)[O-]	ZINC000910048763	613042249	/nfs/dbraw/zinc/04/22/49/613042249.db2.gz	OFGUHNCWRQQPOH-RNFRBKRXSA-N	-1	0	268.294	0.403	20	30		CCEDRM
C#CCCNS(=O)(=O)c1cn(C)nc1Br	ZINC000866785297	613048144	/nfs/dbraw/zinc/04/81/44/613048144.db2.gz	UZNZCULDUGGQRO-UHFFFAOYSA-N	-1	0	292.158	0.484	20	30		CCEDRM
C#CCCOC(=O)N1CCC[C@@H](c2n[nH]c(=O)[n-]2)C1	ZINC000859162226	613048886	/nfs/dbraw/zinc/04/88/86/613048886.db2.gz	ZDLCUXGMRIJQJJ-SECBINFHSA-N	-1	0	264.285	0.850	20	30		CCEDRM
C#CC[C@H](CCOC)NC(=O)c1[nH]nc(C)c1[O-]	ZINC000863783744	613052684	/nfs/dbraw/zinc/05/26/84/613052684.db2.gz	AFLOBWKINQHPTF-SECBINFHSA-N	-1	0	251.286	0.582	20	30		CCEDRM
C#CCCS(=O)(=O)[N-]C(=O)CC(C)(C)COC	ZINC000842348229	613052725	/nfs/dbraw/zinc/05/27/25/613052725.db2.gz	UYTVDTFETJKHQF-UHFFFAOYSA-N	-1	0	261.343	0.518	20	30		CCEDRM
C#CCCS(=O)(=O)[N-]C(=O)C[C@@H]1CC[C@H]2C[C@H]21	ZINC000835371737	613052989	/nfs/dbraw/zinc/05/29/89/613052989.db2.gz	LGAYQQUBNNXEDI-GARJFASQSA-N	-1	0	255.339	0.892	20	30		CCEDRM
C#CCCS(=O)(=O)[N-]C(=O)[C@]1(C)C[C@H]2C[C@H]2C1	ZINC000816056250	613053120	/nfs/dbraw/zinc/05/31/20/613053120.db2.gz	KQWIQKGOZPPESX-PEGIJTEDSA-N	-1	0	255.339	0.892	20	30		CCEDRM
C#CCCS(=O)(=O)[N-]C(=O)[C@@H]1CCc2ncncc2C1	ZINC000842781093	613053252	/nfs/dbraw/zinc/05/32/52/613053252.db2.gz	XUJMERFAPCMSSO-SNVBAGLBSA-N	-1	0	293.348	0.051	20	30		CCEDRM
C#CCCS(=O)(=O)[N-]C(=O)c1cccc([N+](=O)[O-])c1	ZINC000798202976	613053680	/nfs/dbraw/zinc/05/36/80/613053680.db2.gz	PJOXAFAKLVVTLH-UHFFFAOYSA-N	-1	0	282.277	0.678	20	30		CCEDRM
C#CCCS(=O)(=O)[N-]C(=O)c1ccnc(N(C)C)c1	ZINC000810782548	613053741	/nfs/dbraw/zinc/05/37/41/613053741.db2.gz	PGYDARBNPCPJAU-UHFFFAOYSA-N	-1	0	281.337	0.231	20	30		CCEDRM
C#CCCS(=O)(=O)NCc1nc(C(F)(F)F)n[nH]1	ZINC000808307328	613054675	/nfs/dbraw/zinc/05/46/75/613054675.db2.gz	OWMIQOSNHJJOCA-UHFFFAOYSA-N	-1	0	282.247	0.266	20	30		CCEDRM
C#CCN(C(=O)CCc1nnn[n-]1)C1CCCCC1	ZINC000865038777	613065655	/nfs/dbraw/zinc/06/56/55/613065655.db2.gz	VFECCKRTDPAPOT-UHFFFAOYSA-N	-1	0	261.329	0.927	20	30		CCEDRM
C#CC[C@H](NC(=O)C1(CCOC)CCC1)C(=O)[O-]	ZINC000910054462	613067391	/nfs/dbraw/zinc/06/73/91/613067391.db2.gz	ORRKGNCQTDYSAK-JTQLQIEISA-N	-1	0	253.298	0.786	20	30		CCEDRM
C#CC[C@H](NC(=O)C1(C(=O)NC2CC2)CCC1)C(=O)[O-]	ZINC000910055090	613067484	/nfs/dbraw/zinc/06/74/84/613067484.db2.gz	XJGWKFYBUCHJMW-JTQLQIEISA-N	-1	0	278.308	0.028	20	30		CCEDRM
C#CC[C@H](NC(=O)CCOC[C@@H]1CCCO1)C(=O)[O-]	ZINC000910052727	613067616	/nfs/dbraw/zinc/06/76/16/613067616.db2.gz	HMGNLZPMXLUNMF-QWRGUYRKSA-N	-1	0	269.297	0.165	20	30		CCEDRM
C#CC[C@H](NC(=O)C[C@@H](C)n1ccc(C)n1)C(=O)[O-]	ZINC000910051411	613068117	/nfs/dbraw/zinc/06/81/17/613068117.db2.gz	USMVSZFODUILSP-MNOVXSKESA-N	-1	0	263.297	0.735	20	30		CCEDRM
C#CC[C@H](NC(=O)C[C@H](C)[C@@H]1CCCO1)C(=O)[O-]	ZINC000910046414	613068126	/nfs/dbraw/zinc/06/81/26/613068126.db2.gz	ONYMIGDUEOUDCK-DCAQKATOSA-N	-1	0	253.298	0.784	20	30		CCEDRM
C#CC[C@H](NC(=O)Cc1nn(C)c2ccccc12)C(=O)[O-]	ZINC000910045398	613068287	/nfs/dbraw/zinc/06/82/87/613068287.db2.gz	CLOQQJRDCHOCMO-NSHDSACASA-N	-1	0	285.303	0.709	20	30		CCEDRM
C#CC[C@H](NC(=O)[C@@H]1Cc2cccc(C)c2O1)C(=O)[O-]	ZINC000910050149	613069041	/nfs/dbraw/zinc/06/90/41/613069041.db2.gz	GHRCQWBLMDPKJT-RYUDHWBXSA-N	-1	0	273.288	0.891	20	30		CCEDRM
C#CC[C@H](NC(=O)[C@@H]1CCc2cnc(C)n2C1)C(=O)[O-]	ZINC000910049574	613069085	/nfs/dbraw/zinc/06/90/85/613069085.db2.gz	XYFRKZJMEWNOTG-PWSUYJOCSA-N	-1	0	275.308	0.347	20	30		CCEDRM
C#CC[C@H](NC(=O)[C@H](C)NC(=O)C1CCCCC1)C(=O)[O-]	ZINC000910053468	613069125	/nfs/dbraw/zinc/06/91/25/613069125.db2.gz	HGJWZSSDUFFEOA-JQWIXIFHSA-N	-1	0	294.351	0.664	20	30		CCEDRM
C#CC[C@H](NC(=O)c1ccc2c(c1)CCOC2)C(=O)[O-]	ZINC000910045771	613070131	/nfs/dbraw/zinc/07/01/31/613070131.db2.gz	GWXJVBNVYPFRLU-ZDUSSCGKSA-N	-1	0	273.288	0.966	20	30		CCEDRM
C#CCn1ccc(CN(CC)C(=O)NC[C@@H](C)C(=O)[O-])n1	ZINC000848588787	613078210	/nfs/dbraw/zinc/07/82/10/613078210.db2.gz	YYXWVZMQKPVKMG-LLVKDONJSA-N	-1	0	292.339	0.769	20	30		CCEDRM
C#C[C@@H](C)OC(=O)c1ccc(S(=O)(=O)NC)o1	ZINC000121045364	613082604	/nfs/dbraw/zinc/08/26/04/613082604.db2.gz	UILLNGQKUVSGIA-SSDOTTSWSA-N	-1	0	257.267	0.366	20	30		CCEDRM
C#C[C@@H](NC(=O)[C@@H](C(=O)[O-])C(C)C)C1CCOCC1	ZINC000911791763	613097828	/nfs/dbraw/zinc/09/78/28/613097828.db2.gz	OMDCXGNYNOOSBK-NEPJUHHUSA-N	-1	0	267.325	0.888	20	30		CCEDRM
C#CCN(CC#C)CC(=O)NC1(C(=O)[O-])CCCCC1	ZINC000825608762	613099022	/nfs/dbraw/zinc/09/90/22/613099022.db2.gz	JXDOYYMHPGHMBE-UHFFFAOYSA-N	-1	0	276.336	0.459	20	30		CCEDRM
C#CCN(CC#C)S(=O)(=O)CC1(CC(=O)[O-])CC1	ZINC000825608621	613099076	/nfs/dbraw/zinc/09/90/76/613099076.db2.gz	GLGYQBHQXBCVQU-UHFFFAOYSA-N	-1	0	269.322	0.140	20	30		CCEDRM
C#CCN(CC#CC)C(=O)NC[C@@H](NC(=O)[O-])C1CC1	ZINC000833787716	613099767	/nfs/dbraw/zinc/09/97/67/613099767.db2.gz	YSXFFSQRBYPFGA-GFCCVEGCSA-N	-1	0	277.324	0.701	20	30		CCEDRM
C#CCN(CC#CC)C(=O)N[C@H]1CCN(C(=O)[O-])C1	ZINC000823451244	613100014	/nfs/dbraw/zinc/10/00/14/613100014.db2.gz	QWFJVBFQTHJAEB-NSHDSACASA-N	-1	0	263.297	0.407	20	30		CCEDRM
C#C[C@H](C)N(C)C(=O)CC[C@@H]1C[C@H](C(=O)[O-])CO1	ZINC000911384889	613113389	/nfs/dbraw/zinc/11/33/89/613113389.db2.gz	JHCDRPFDWALGMV-GARJFASQSA-N	-1	0	253.298	0.736	20	30		CCEDRM
C#CCN1CC([C@@H](C)NC(=O)c2[nH]nc(C)c2[O-])C1	ZINC000969505779	613122391	/nfs/dbraw/zinc/12/23/91/613122391.db2.gz	FWXIVIHDGRNKGP-MRVPVSSYSA-N	-1	0	262.313	0.107	20	30		CCEDRM
C#C[C@H](NC(=O)c1ccoc1CC(=O)[O-])[C@H]1CCCO1	ZINC000911578534	613149297	/nfs/dbraw/zinc/14/92/97/613149297.db2.gz	KKMDAURVGZTIEQ-WDEREUQCSA-N	-1	0	277.276	0.817	20	30		CCEDRM
COc1ccnc(CNC(=O)[C@](C)(C#N)CC(=O)[O-])c1	ZINC000820881528	617325507	/nfs/dbraw/zinc/32/55/07/617325507.db2.gz	HWXGLGFWQUDEFM-ZDUSSCGKSA-N	-1	0	277.280	0.711	20	30		CCEDRM
C#C[C@H]1COCCN1C(=O)c1n[n-]c2ccccc2c1=O	ZINC000838269474	613162474	/nfs/dbraw/zinc/16/24/74/613162474.db2.gz	NSJVLYFKMDDZFW-JTQLQIEISA-N	-1	0	283.287	0.810	20	30		CCEDRM
C#Cc1ccc(C(=O)N(C)[C@@H]2CCN(C(=O)[O-])C2)nc1	ZINC000823466598	613166049	/nfs/dbraw/zinc/16/60/49/613166049.db2.gz	FVDKDGAEAMLJPQ-LLVKDONJSA-N	-1	0	273.292	0.887	20	30		CCEDRM
C#Cc1ccc(C(=O)N2CCOC[C@@H]2c2nnn[n-]2)cc1	ZINC000913499363	613170448	/nfs/dbraw/zinc/17/04/48/613170448.db2.gz	OFUHKTXUIGQJON-GFCCVEGCSA-N	-1	0	283.291	0.395	20	30		CCEDRM
C#Cc1cccc(NC(=O)CNC(=O)[C@@H](CC)C(=O)[O-])c1	ZINC000908745158	613204168	/nfs/dbraw/zinc/20/41/68/613204168.db2.gz	ZSNDDUJCRBNTIF-GFCCVEGCSA-N	-1	0	288.303	0.833	20	30		CCEDRM
C#Cc1ccccc1CC(=O)N1CCOC[C@H]1c1nnn[n-]1	ZINC000913498298	613205340	/nfs/dbraw/zinc/20/53/40/613205340.db2.gz	NZYFLOXVJGIMFK-ZDUSSCGKSA-N	-1	0	297.318	0.324	20	30		CCEDRM
C#CCN1CCN(C(=O)[C@]2(C)CCN(C(=O)[O-])C2)CC1	ZINC000823451569	613207816	/nfs/dbraw/zinc/20/78/16/613207816.db2.gz	YOLICOQJQXVWKI-CQSZACIVSA-N	-1	0	279.340	0.154	20	30		CCEDRM
C=C(Br)CNC(=O)C1(NC(=O)[O-])CC1	ZINC000823474903	613236149	/nfs/dbraw/zinc/23/61/49/613236149.db2.gz	RUJBQNLSQQJLNQ-UHFFFAOYSA-N	-1	0	263.091	0.811	20	30		CCEDRM
C#CCN1CC[C@H](C)[C@@H](NC(=O)c2[nH]nc(C)c2[O-])C1	ZINC000965911438	613249862	/nfs/dbraw/zinc/24/98/62/613249862.db2.gz	SUMLVEWFNGNDIQ-ONGXEEELSA-N	-1	0	276.340	0.497	20	30		CCEDRM
C#CCNC(=O)CN(C)c1ccc(OCC(=O)[O-])cc1	ZINC000833365578	613327751	/nfs/dbraw/zinc/32/77/51/613327751.db2.gz	NEUXQSBTHSHIIW-UHFFFAOYSA-N	-1	0	276.292	0.336	20	30		CCEDRM
C#CCNC(=O)COc1ccc(N(C)C(=O)[O-])cc1	ZINC000823456156	613333406	/nfs/dbraw/zinc/33/34/06/613333406.db2.gz	LBQXEVRXFJPZGF-UHFFFAOYSA-N	-1	0	262.265	0.929	20	30		CCEDRM
C=C(C)CNS(=O)(=O)N=S1(=O)CCCC1	ZINC000867128201	613347307	/nfs/dbraw/zinc/34/73/07/613347307.db2.gz	HQOBIIWTQYTPPY-UHFFFAOYSA-N	-1	0	252.361	0.659	20	30		CCEDRM
C=C(C)CO[N-]C(=O)C(=O)Nc1cnn(C(F)F)c1	ZINC000846147372	613352384	/nfs/dbraw/zinc/35/23/84/613352384.db2.gz	XEADBIUHJJGTAN-UHFFFAOYSA-N	-1	0	274.227	0.841	20	30		CCEDRM
C=C(C)CO[N-]C(=O)C(=O)Nc1ccc(C)[nH]c1=O	ZINC000846146860	613352396	/nfs/dbraw/zinc/35/23/96/613352396.db2.gz	RKNLJLYHPBIEGN-UHFFFAOYSA-N	-1	0	265.269	0.658	20	30		CCEDRM
C=C(C)CO[N-]C(=O)C(=O)Nc1cncc(N(C)C)c1	ZINC000873934236	613352397	/nfs/dbraw/zinc/35/23/97/613352397.db2.gz	IPIVAECDAXFDEK-UHFFFAOYSA-N	-1	0	278.312	0.710	20	30		CCEDRM
C=C(C)CO[N-]C(=O)CSc1nnc(CCC)n1N	ZINC000846534144	613352437	/nfs/dbraw/zinc/35/24/37/613352437.db2.gz	UGRDVPGGTFVOOA-UHFFFAOYSA-N	-1	0	285.373	0.660	20	30		CCEDRM
C=C(C)CO[N-]C(=O)Cn1cc(C(=O)OC)cn1	ZINC000862133182	613352614	/nfs/dbraw/zinc/35/26/14/613352614.db2.gz	UVBWYIWODKZPPU-UHFFFAOYSA-N	-1	0	253.258	0.294	20	30		CCEDRM
C=C(C)CO[N-]C(=O)[C@@H](O)[C@H](O)c1nc2ccccc2[nH]1	ZINC000846534775	613353852	/nfs/dbraw/zinc/35/38/52/613353852.db2.gz	AZNLDJNRGOAORW-RYUDHWBXSA-N	-1	0	291.307	0.581	20	30		CCEDRM
C=C(C)CS(=O)(=O)N1Cc2cc(C(=O)[O-])nn2C[C@H]1C	ZINC000903878839	613354112	/nfs/dbraw/zinc/35/41/12/613354112.db2.gz	LINURXMDSYVNBT-SECBINFHSA-N	-1	0	299.352	0.691	20	30		CCEDRM
C=C(C)C[C@@H](NC(=O)N[C@H]1C[C@H](OC)C1)C(=O)[O-]	ZINC000909164669	613355819	/nfs/dbraw/zinc/35/58/19/613355819.db2.gz	VYVHYFPEUXFHJR-OPRDCNLKSA-N	-1	0	256.302	0.882	20	30		CCEDRM
C=C(C)C[C@@H](NC(=O)c1cc(COC)on1)C(=O)[O-]	ZINC000864188894	613356067	/nfs/dbraw/zinc/35/60/67/613356067.db2.gz	XDKLZDXOQSVXLW-SNVBAGLBSA-N	-1	0	268.269	0.970	20	30		CCEDRM
C=C(C)C[C@H](CO)NS(=O)(=O)c1c[nH]c(=O)s1	ZINC000882846854	613358508	/nfs/dbraw/zinc/35/85/08/613358508.db2.gz	WDVSFRIHSYSPHP-SSDOTTSWSA-N	-1	0	278.355	0.454	20	30		CCEDRM
C=C(C)C[C@H](CO)NS(=O)(=O)c1ccns1	ZINC000885357229	613358516	/nfs/dbraw/zinc/35/85/16/613358516.db2.gz	ITDLJHQHZGXQFZ-MRVPVSSYSA-N	-1	0	262.356	0.749	20	30		CCEDRM
C=C(C)C[C@H](NC(=O)CCc1cnccn1)C(=O)[O-]	ZINC000910291653	613358681	/nfs/dbraw/zinc/35/86/81/613358681.db2.gz	LCNWNDSYQYXNIE-NSHDSACASA-N	-1	0	263.297	0.945	20	30		CCEDRM
C=C(C)C[C@H](NC(=O)CCC(=O)[O-])C(=O)OCC	ZINC000902691975	613358684	/nfs/dbraw/zinc/35/86/84/613358684.db2.gz	AMVBSFGNFHAABV-VIFPVBQESA-N	-1	0	257.286	0.865	20	30		CCEDRM
C=C(C)C[C@H](NC(=O)c1c[nH]c(C)cc1=O)C(=O)[O-]	ZINC000910291128	613359037	/nfs/dbraw/zinc/35/90/37/613359037.db2.gz	DPPOJKOVMDNHPC-JTQLQIEISA-N	-1	0	264.281	0.833	20	30		CCEDRM
C=C(C)C[C@H](NC(=O)c1cn(C)nc1OC)C(=O)[O-]	ZINC000910292105	613359136	/nfs/dbraw/zinc/35/91/36/613359136.db2.gz	CODVSGPMLLZXIE-VIFPVBQESA-N	-1	0	267.285	0.578	20	30		CCEDRM
C=C(C)[C@@H](CC(=O)N1CCOC[C@@H]1C(=O)[O-])OCC	ZINC000833367743	613360151	/nfs/dbraw/zinc/36/01/51/613360151.db2.gz	SUBMHRXMLJGSDN-GHMZBOCLSA-N	-1	0	271.313	0.670	20	30		CCEDRM
C=C(C)[C@@H](CC(=O)N1CCO[C@@H](C(=O)[O-])C1)OCC	ZINC000819706357	613360164	/nfs/dbraw/zinc/36/01/64/613360164.db2.gz	YOSAUWNBGWNZKE-GHMZBOCLSA-N	-1	0	271.313	0.670	20	30		CCEDRM
C=C(C)[C@H](CC(=O)NCCOCC(=O)[O-])OCC	ZINC000909637591	613362242	/nfs/dbraw/zinc/36/22/42/613362242.db2.gz	VDHTVBUIFHOERX-JTQLQIEISA-N	-1	0	259.302	0.575	20	30		CCEDRM
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C=CCC[C@H](NC(=O)[C@H]1CCc2nnc(C)n2C1)C(=O)[O-]	ZINC000909719211	613590167	/nfs/dbraw/zinc/59/01/67/613590167.db2.gz	YVRITNOXTYRHRI-QWRGUYRKSA-N	-1	0	292.339	0.685	20	30		CCEDRM
C=CCN(C(=O)C(=O)NCCCCC(=O)[O-])C(C)C	ZINC000884473573	613602463	/nfs/dbraw/zinc/60/24/63/613602463.db2.gz	ZNQXDKGWTZQRLL-UHFFFAOYSA-N	-1	0	270.329	0.781	20	30		CCEDRM
C=CCN(C)C(=O)C(=O)N1C[C@@H](C(=O)[O-])[C@H](C2CC2)C1	ZINC000926297029	613608406	/nfs/dbraw/zinc/60/84/06/613608406.db2.gz	FUVPFGJIASKMRR-WDEREUQCSA-N	-1	0	280.324	0.200	20	30		CCEDRM
C=CCN(CC(=O)[O-])C(=O)N[C@@H]1C[C@@H](OCC)[C@@H]1OC	ZINC000909197070	613643025	/nfs/dbraw/zinc/64/30/25/613643025.db2.gz	SMTYHVYOKHOJEY-CKYFFXLPSA-N	-1	0	286.328	0.461	20	30		CCEDRM
CC#CCNC(=O)[C@@H]1CC(C(=O)[O-])=NN1c1ccccc1	ZINC000911400605	613644416	/nfs/dbraw/zinc/64/44/16/613644416.db2.gz	DHVGNHXWLKZXSL-ZDUSSCGKSA-N	-1	0	285.303	0.845	20	30		CCEDRM
C=CCN(CC(=O)OCC)C(=O)c1cc(=O)n(C)[n-]1	ZINC000831220286	613645210	/nfs/dbraw/zinc/64/52/10/613645210.db2.gz	ICYRMPIPXGIAST-UHFFFAOYSA-N	-1	0	267.285	0.317	20	30		CCEDRM
CC#CCS(=O)(=O)[N-]C(=O)COc1ccc(F)cc1	ZINC000810773906	613645834	/nfs/dbraw/zinc/64/58/34/613645834.db2.gz	IOQXGCBJJVUOBI-UHFFFAOYSA-N	-1	0	285.296	0.674	20	30		CCEDRM
CC#CCS(=O)(=O)[N-]C(=O)CCc1ccc(C)o1	ZINC000810776011	613645847	/nfs/dbraw/zinc/64/58/47/613645847.db2.gz	DSKDTYRVFBZQHN-UHFFFAOYSA-N	-1	0	269.322	0.990	20	30		CCEDRM
CC#CCS(=O)(=O)[N-]C(=O)Cc1ccc(F)c(F)c1	ZINC000798202885	613646192	/nfs/dbraw/zinc/64/61/92/613646192.db2.gz	SBWUMRXFSUJFLP-UHFFFAOYSA-N	-1	0	287.287	0.977	20	30		CCEDRM
CC#CCS(=O)(=O)[N-]C(=O)C[C@H]1CCC(=O)[C@@H]1C	ZINC000810778171	613646231	/nfs/dbraw/zinc/64/62/31/613646231.db2.gz	XAIUBJDXTSQLEM-NXEZZACHSA-N	-1	0	271.338	0.461	20	30		CCEDRM
CC#CCS(=O)(=O)[N-]C(=O)[C@H]1CSCCS1	ZINC000798202860	613646928	/nfs/dbraw/zinc/64/69/28/613646928.db2.gz	RTPXXTACMXLMGO-MRVPVSSYSA-N	-1	0	279.408	0.304	20	30		CCEDRM
CC#CCS(=O)(=O)[N-]C(=O)[C@H](C)NC(=O)C(C)(C)C	ZINC000810779071	613647073	/nfs/dbraw/zinc/64/70/73/613647073.db2.gz	XDWYLPDXYWKJMQ-VIFPVBQESA-N	-1	0	288.369	0.007	20	30		CCEDRM
CC#CCS(=O)(=O)[N-]C(=O)[C@H]1OCCc2ccccc21	ZINC000810776087	613647147	/nfs/dbraw/zinc/64/71/47/613647147.db2.gz	FLWYZXDYZYHGSV-ZDUSSCGKSA-N	-1	0	293.344	0.770	20	30		CCEDRM
CC#CCS(=O)(=O)[N-]C(=O)c1c(C)cc(C)[nH]c1=O	ZINC000810776392	613647467	/nfs/dbraw/zinc/64/74/67/613647467.db2.gz	RDECPBUAUNZERV-UHFFFAOYSA-N	-1	0	282.321	0.487	20	30		CCEDRM
CC#CCS(=O)(=O)[N-]C(=O)c1c(C)coc1C	ZINC000810774465	613647483	/nfs/dbraw/zinc/64/74/83/613647483.db2.gz	MNSMYZUOLCGDNN-UHFFFAOYSA-N	-1	0	255.295	0.979	20	30		CCEDRM
CC#CCS(=O)(=O)[N-]C(=O)c1ccc(C(C)=O)o1	ZINC000810778186	613647509	/nfs/dbraw/zinc/64/75/09/613647509.db2.gz	XRYVYOILHDWTAC-UHFFFAOYSA-N	-1	0	269.278	0.565	20	30		CCEDRM
CC#CCS(=O)(=O)[N-]C(=O)c1cc(C#N)cs1	ZINC000810775705	613647622	/nfs/dbraw/zinc/64/76/22/613647622.db2.gz	QKNNAUBYPYYTFL-UHFFFAOYSA-N	-1	0	268.319	0.703	20	30		CCEDRM
CC#CCS(=O)(=O)[N-]C(=O)c1cnn(C)c1SC	ZINC000810770025	613648044	/nfs/dbraw/zinc/64/80/44/613648044.db2.gz	HDGGRVCWDDLTKF-UHFFFAOYSA-N	-1	0	287.366	0.225	20	30		CCEDRM
CC#CC[C@H](NC(=O)OC1CCOCC1)C(=O)[O-]	ZINC000926463224	613652960	/nfs/dbraw/zinc/65/29/60/613652960.db2.gz	ISHGJRYTVXWKCC-JTQLQIEISA-N	-1	0	255.270	0.758	20	30		CCEDRM
CC(=NNCC(=O)[O-])c1ccc(N)c([N+](=O)[O-])c1	ZINC000814960364	613654476	/nfs/dbraw/zinc/65/44/76/613654476.db2.gz	PZIPUMJGNCDJKZ-UHFFFAOYSA-N	-1	0	252.230	0.575	20	30		CCEDRM
C=CCNC(=O)COC(=O)[C@H](C)CN(C)C(=O)[O-]	ZINC000823506867	613847973	/nfs/dbraw/zinc/84/79/73/613847973.db2.gz	OQIBMJMRJWRRGS-MRVPVSSYSA-N	-1	0	258.274	0.078	20	30		CCEDRM
C=CCNC(=O)COC(=O)CC(C)(C)CC(=O)[O-]	ZINC000833376682	613847554	/nfs/dbraw/zinc/84/75/54/613847554.db2.gz	OKMFFHQKIBFAKH-UHFFFAOYSA-N	-1	0	257.286	0.723	20	30		CCEDRM
C=CCNC(=O)C(C#N)=C([O-])c1ncc(C#N)cc1C	ZINC000815908455	613852968	/nfs/dbraw/zinc/85/29/68/613852968.db2.gz	BTUSXHDZXCUTSP-NSHDSACASA-N	-1	0	268.276	0.886	20	30		CCEDRM
C=CCNC(=O)[C@@H](C)OC(=O)c1cnccc1C(=O)[O-]	ZINC000825687464	613854278	/nfs/dbraw/zinc/85/42/78/613854278.db2.gz	LGMVOJUDULPWSS-MRVPVSSYSA-N	-1	0	278.264	0.627	20	30		CCEDRM
C=CCNC(=O)C(C#N)=C([O-])c1ncn(C(C)(C)C)n1	ZINC000813060067	613854989	/nfs/dbraw/zinc/85/49/89/613854989.db2.gz	ORZLAIAHOYSGBB-SECBINFHSA-N	-1	0	275.312	0.658	20	30		CCEDRM
C=CCOCCCC(=O)N1CC[C@H](NC(=O)[O-])C1	ZINC000823516124	613879662	/nfs/dbraw/zinc/87/96/62/613879662.db2.gz	ALABQTTWIYYBCR-JTQLQIEISA-N	-1	0	256.302	0.838	20	30		CCEDRM
C=CCOCC(=O)N1CC2(CCC2)[C@@](F)(C(=O)[O-])C1	ZINC000909938089	613879038	/nfs/dbraw/zinc/87/90/38/613879038.db2.gz	QTWFPEVQOPNXBT-ZDUSSCGKSA-N	-1	0	271.288	0.994	20	30		CCEDRM
C=CCOCC(=O)N1CCSC[C@H]1c1nnn[n-]1	ZINC000907478698	613879251	/nfs/dbraw/zinc/87/92/51/613879251.db2.gz	YFSURCQHEGXXKY-QMMMGPOBSA-N	-1	0	269.330	0.019	20	30		CCEDRM
C=CCOCC(=O)N[C@H](C(=O)[O-])[C@@H]1CCC[C@@H](OC)C1	ZINC000909907791	613879499	/nfs/dbraw/zinc/87/94/99/613879499.db2.gz	PLUTZGDJOQNMQY-WZRBSPASSA-N	-1	0	285.340	0.964	20	30		CCEDRM
C=CCOCC(=O)N[C@H](C(=O)[O-])c1cccc(O)c1	ZINC000833376216	613879532	/nfs/dbraw/zinc/87/95/32/613879532.db2.gz	YADZUVDTVCARSF-LBPRGKRZSA-N	-1	0	265.265	0.837	20	30		CCEDRM
C=CCOCCNC(=O)C(C)(C)SCC(=O)[O-]	ZINC000872880154	613880640	/nfs/dbraw/zinc/88/06/40/613880640.db2.gz	WVBGNACPCWVGDZ-UHFFFAOYSA-N	-1	0	261.343	0.902	20	30		CCEDRM
C=CCOCCNC(=O)Cc1cc(=O)n(CC(C)C)[n-]1	ZINC000935305751	613880690	/nfs/dbraw/zinc/88/06/90/613880690.db2.gz	ZFXYVRPWRMDRQM-UHFFFAOYSA-N	-1	0	281.356	0.694	20	30		CCEDRM
C=CCOCCNC(=O)NCCC(C)(C)C(=O)[O-]	ZINC000302522347	613880880	/nfs/dbraw/zinc/88/08/80/613880880.db2.gz	DYXKAWDXYPARET-UHFFFAOYSA-N	-1	0	258.318	0.989	20	30		CCEDRM
C=CCOC[C@@H](NC(=O)CC1(O)CCCCC1)C(=O)[O-]	ZINC000909772687	613881547	/nfs/dbraw/zinc/88/15/47/613881547.db2.gz	UXJPYXVTBJRSLM-LLVKDONJSA-N	-1	0	285.340	0.844	20	30		CCEDRM
C=CCOC[C@@H](NC(=O)[C@@H](C)Oc1cccnc1)C(=O)[O-]	ZINC000909771761	613881826	/nfs/dbraw/zinc/88/18/26/613881826.db2.gz	POZGUYRVLCKHSP-ZYHUDNBSSA-N	-1	0	294.307	0.621	20	30		CCEDRM
C=CCOC[C@@H](NC(=O)[C@H]1CCCCN1C)C(=O)[O-]	ZINC000909765293	613881842	/nfs/dbraw/zinc/88/18/42/613881842.db2.gz	BAJFUBJRXMEFNB-GHMZBOCLSA-N	-1	0	270.329	0.243	20	30		CCEDRM
C=CCOC[C@@H](NC(=O)c1cc2n(n1)CCCC2)C(=O)[O-]	ZINC000909772537	613881918	/nfs/dbraw/zinc/88/19/18/613881918.db2.gz	RRXRXBIBPMPJMO-GFCCVEGCSA-N	-1	0	293.323	0.605	20	30		CCEDRM
C=CCOC[C@H](NC(=O)NCC1(OC)CCC1)C(=O)[O-]	ZINC000837299569	613882310	/nfs/dbraw/zinc/88/23/10/613882310.db2.gz	LVLOIESLDAEOAN-JTQLQIEISA-N	-1	0	286.328	0.511	20	30		CCEDRM
C=CCOC[C@H](NC(=O)NCC[C@H]1CCCO1)C(=O)[O-]	ZINC000797718137	613882313	/nfs/dbraw/zinc/88/23/13/613882313.db2.gz	OFZRWWAWECNRDZ-MNOVXSKESA-N	-1	0	286.328	0.511	20	30		CCEDRM
C=CCOC[C@H](NC(=O)[C@@H]1CCO[C@@H]1C)C(=O)[O-]	ZINC000909772969	613882451	/nfs/dbraw/zinc/88/24/51/613882451.db2.gz	ZCMHPDLAMOJPQF-BBBLOLIVSA-N	-1	0	257.286	0.183	20	30		CCEDRM
C=CCOC[C@H](NC(=O)c1cn(CC)cn1)C(=O)[O-]	ZINC000909769179	613882624	/nfs/dbraw/zinc/88/26/24/613882624.db2.gz	BNSLAEGWPZSOMG-JTQLQIEISA-N	-1	0	267.285	0.289	20	30		CCEDRM
C=CCOC[C@H](NC(=O)c1ccn(C)c1)C(=O)[O-]	ZINC000909772896	613882709	/nfs/dbraw/zinc/88/27/09/613882709.db2.gz	XSVIENCRYAHUCH-JTQLQIEISA-N	-1	0	252.270	0.411	20	30		CCEDRM
C=CCOC[C@H](NCc1cc2c(cn1)OCCO2)C(=O)[O-]	ZINC000901809395	613882795	/nfs/dbraw/zinc/88/27/95/613882795.db2.gz	DCBVCXXSUDXPST-NSHDSACASA-N	-1	0	294.307	0.598	20	30		CCEDRM
C=CCO[N-]C(=O)C(=O)Nc1cncc(OC(C)C)n1	ZINC000847529981	613882986	/nfs/dbraw/zinc/88/29/86/613882986.db2.gz	WGNCCNFLTFTVPJ-UHFFFAOYSA-N	-1	0	280.284	0.436	20	30		CCEDRM
C=CCO[N-]C(=O)C(=O)Nc1cnn(C)c1C1CC1	ZINC000873907989	613883052	/nfs/dbraw/zinc/88/30/52/613883052.db2.gz	QDBMPLMOQRTJKX-UHFFFAOYSA-N	-1	0	264.285	0.470	20	30		CCEDRM
C=CCO[N-]C(=O)CN1C(=O)NC(CC)(CC)C1=O	ZINC000837045122	613883137	/nfs/dbraw/zinc/88/31/37/613883137.db2.gz	XCUSAFSBTDLRQO-UHFFFAOYSA-N	-1	0	269.301	0.331	20	30		CCEDRM
C=CCO[N-]C(=O)Cn1cc(Br)cn1	ZINC000837044551	613883299	/nfs/dbraw/zinc/88/32/99/613883299.db2.gz	PCMHSUXUQBPRTN-UHFFFAOYSA-N	-1	0	260.091	0.879	20	30		CCEDRM
C=CCO[N-]C(=O)[C@H]1CCCCN1S(C)(=O)=O	ZINC000837044376	613884592	/nfs/dbraw/zinc/88/45/92/613884592.db2.gz	ZRPXHBQGXNQEHN-SECBINFHSA-N	-1	0	262.331	0.034	20	30		CCEDRM
C=CCOc1cccnc1C(=O)NCC(=O)[N-]OC	ZINC000832757885	613884837	/nfs/dbraw/zinc/88/48/37/613884837.db2.gz	OGCKHCCXIGQWSK-UHFFFAOYSA-N	-1	0	265.269	0.054	20	30		CCEDRM
C=CCS(=O)(=O)[N-]C(=O)CCc1cc(OC)no1	ZINC000892882004	613886135	/nfs/dbraw/zinc/88/61/35/613886135.db2.gz	DCRPBSCDQSQIHP-UHFFFAOYSA-N	-1	0	274.298	0.248	20	30		CCEDRM
C=CCS(=O)(=O)[N-]C(=O)C[C@@H](C)[C@@H]1CCCO1	ZINC000850912513	613886141	/nfs/dbraw/zinc/88/61/41/613886141.db2.gz	CNQHLNJKSOFMHY-ZJUUUORDSA-N	-1	0	261.343	0.824	20	30		CCEDRM
C=CCS(=O)(=O)[N-]C(=O)[C@H]1CC[C@@H](C(=O)OC)C1	ZINC000842330122	613886199	/nfs/dbraw/zinc/88/61/99/613886199.db2.gz	WQUJQOZSTQRHJL-DTWKUNHWSA-N	-1	0	275.326	0.208	20	30		CCEDRM
CC(C)(C)OC(=O)C[C@@](C)(C#N)C(=O)NCCC(=O)[O-]	ZINC000819915067	613970338	/nfs/dbraw/zinc/97/03/38/613970338.db2.gz	SUGCMACMWCGWJL-ZDUSSCGKSA-N	-1	0	284.312	0.839	20	30		CCEDRM
CC(C)(C)[C@@H](O)CNC(=O)[C@@](C)(C#N)CC(=O)[O-]	ZINC000819833942	614025296	/nfs/dbraw/zinc/02/52/96/614025296.db2.gz	KQKLJHDQDMGCTE-QPUJVOFHSA-N	-1	0	256.302	0.514	20	30		CCEDRM
CC(C)Oc1ccc(NCC(=O)NCC(=O)[O-])cc1C#N	ZINC000820032730	614056253	/nfs/dbraw/zinc/05/62/53/614056253.db2.gz	FKGLASSJLCNXDA-UHFFFAOYSA-N	-1	0	291.307	0.958	20	30		CCEDRM
CC(C)[C@@H](NC(=O)[O-])C(=O)O[C@@H](C)C(=O)N(C)CCC#N	ZINC000827809624	614125781	/nfs/dbraw/zinc/12/57/81/614125781.db2.gz	HEPRQISUEFCXEV-VHSXEESVSA-N	-1	0	299.327	0.582	20	30		CCEDRM
CC(C)[C@@](C)(C#N)NC(=O)[C@H](C)N(C)CC(=O)[O-]	ZINC000819883363	614180930	/nfs/dbraw/zinc/18/09/30/614180930.db2.gz	SQHUYDBEDWQPFM-JOYOIKCWSA-N	-1	0	255.318	0.446	20	30		CCEDRM
CC(C)(O)CNN=Cc1cccc(OCC(=O)[O-])c1	ZINC000863139287	614194293	/nfs/dbraw/zinc/19/42/93/614194293.db2.gz	DFUATYOMFQKJHA-UHFFFAOYSA-N	-1	0	266.297	0.844	20	30		CCEDRM
CC(C)Cn1[n-]c(CC(=O)N(C)[C@H](C)C#N)cc1=O	ZINC000905728767	614235100	/nfs/dbraw/zinc/23/51/00/614235100.db2.gz	PMJCHOHVRPYXPC-SNVBAGLBSA-N	-1	0	264.329	0.745	20	30		CCEDRM
CC(C)(C#N)CNC(=O)NC1CCN(C(=O)[O-])CC1	ZINC000833412520	614285767	/nfs/dbraw/zinc/28/57/67/614285767.db2.gz	AKMKGYUGZFPDSF-UHFFFAOYSA-N	-1	0	268.317	0.978	20	30		CCEDRM
CCC[C@](C)(O)CNC(=O)[C@](C)(C#N)CC(=O)[O-]	ZINC000820303792	614452022	/nfs/dbraw/zinc/45/20/22/614452022.db2.gz	KOCRNGJSNRAMSV-RYUDHWBXSA-N	-1	0	256.302	0.658	20	30		CCEDRM
CCC(C#N)(CC)C(=O)[N-]OCCN1CCCC1=O	ZINC000862217544	614470376	/nfs/dbraw/zinc/47/03/76/614470376.db2.gz	IYGFYCLRVJVVCT-UHFFFAOYSA-N	-1	0	267.329	0.987	20	30		CCEDRM
CCC(CC)(CC(=O)[O-])NC(=O)Cn1cnc(C#N)n1	ZINC000828784912	614518287	/nfs/dbraw/zinc/51/82/87/614518287.db2.gz	PYZQDQAJKDTPPV-UHFFFAOYSA-N	-1	0	279.300	0.299	20	30		CCEDRM
CCCn1cc(C(=O)N[C@H]2CCCN(O)C2=O)cn1	ZINC000820482089	614522477	/nfs/dbraw/zinc/52/24/77/614522477.db2.gz	DDVGZWMVBVQMPC-JTQLQIEISA-N	-1	0	266.301	0.403	20	30		CCEDRM
CCC(CC)(CNC(=O)N1CCO[C@@H](C#N)C1)NC(=O)[O-]	ZINC000826141986	614523999	/nfs/dbraw/zinc/52/39/99/614523999.db2.gz	PQCMXDVHBSKJQN-JTQLQIEISA-N	-1	0	298.343	0.747	20	30		CCEDRM
CCCn1nccc1C(=O)[N-]S(=O)(=O)CC(C)(C)C#N	ZINC000850929982	614548799	/nfs/dbraw/zinc/54/87/99/614548799.db2.gz	OPEJYNFUKSZJEK-UHFFFAOYSA-N	-1	0	298.368	0.902	20	30		CCEDRM
CCCn1nccc1C([O-])=C(C#N)C(=O)NC1CC1	ZINC000850759148	614552260	/nfs/dbraw/zinc/55/22/60/614552260.db2.gz	MRDZVWRCQFXPBR-JTQLQIEISA-N	-1	0	260.297	0.894	20	30		CCEDRM
CCCN(CC(=O)[O-])CC(=O)N(CC)C[C@@H](C)C#N	ZINC000829473062	614560285	/nfs/dbraw/zinc/56/02/85/614560285.db2.gz	LOSVCDBFCOHZCW-NSHDSACASA-N	-1	0	269.345	0.791	20	30		CCEDRM
CCC1(S(=O)(=O)[N-]C(=O)Cc2ccc(C#N)nc2)CC1	ZINC000860803137	614710730	/nfs/dbraw/zinc/71/07/30/614710730.db2.gz	PHJMERPKYQMOOV-UHFFFAOYSA-N	-1	0	293.348	0.884	20	30		CCEDRM
CCCCCCCS(=O)(=O)NC[C@](C)(O)C(=O)[O-]	ZINC000841783050	614903381	/nfs/dbraw/zinc/90/33/81/614903381.db2.gz	KHJOIIHOFPJFIN-NSHDSACASA-N	-1	0	281.374	0.712	20	30		CCEDRM
CCCCCNC(=O)C(C#N)=C([O-])c1cc2n(n1)CCO2	ZINC000810528080	614923978	/nfs/dbraw/zinc/92/39/78/614923978.db2.gz	PXPCBIQKXYXFRW-SNVBAGLBSA-N	-1	0	290.323	0.904	20	30		CCEDRM
CCCCC[C@H](C)NC(=O)Cn1c(=O)[n-]cc(C#N)c1=O	ZINC000842615089	614936941	/nfs/dbraw/zinc/93/69/41/614936941.db2.gz	GGUMKCGMMLDDBY-JTQLQIEISA-N	-1	0	292.339	0.493	20	30		CCEDRM
CCN(CC)C(=O)C/N=C\c1c(CO)cnc(C)c1O	ZINC000871596912	614959450	/nfs/dbraw/zinc/95/94/50/614959450.db2.gz	HCHPGZGGHOTQNB-CHHVJCJISA-N	-1	0	279.340	0.875	20	30		CCEDRM
CC1CC(C#N)(C(=O)O[C@H]2CN(C(=O)[O-])CCC2=O)C1	ZINC000825783069	615011542	/nfs/dbraw/zinc/01/15/42/615011542.db2.gz	AVLHFSHWISMQDU-SLYADPJGSA-N	-1	0	280.280	0.791	20	30		CCEDRM
CCN(CCC#N)C(=O)[C@H]1CN(C(=O)[O-])CCO1	ZINC000827111766	615023324	/nfs/dbraw/zinc/02/33/24/615023324.db2.gz	RVXPNIHOKOOFTM-SECBINFHSA-N	-1	0	255.274	0.127	20	30		CCEDRM
CCN(CCC#N)C(=O)[C@]1(F)CCN(C(=O)[O-])C1	ZINC000827110402	615023404	/nfs/dbraw/zinc/02/34/04/615023404.db2.gz	BCCIPBCLHXZXSA-NSHDSACASA-N	-1	0	257.265	0.841	20	30		CCEDRM
CCN(C[C@@H](C)C#N)C(=O)CN1CC[C@@H](N(C)C(=O)[O-])C1	ZINC000827020551	615061432	/nfs/dbraw/zinc/06/14/32/615061432.db2.gz	WQHXFUSPQLRFNJ-NWDGAFQWSA-N	-1	0	296.371	0.679	20	30		CCEDRM
CCOCCCNC(=O)C(C#N)=C([O-])c1ccnn1CC	ZINC000123205379	615244549	/nfs/dbraw/zinc/24/45/49/615244549.db2.gz	SJGGCKQVHBHKHX-NSHDSACASA-N	-1	0	292.339	0.768	20	30		CCEDRM
CCO[N-]C(=O)CNC(=O)C1(C#N)CCSCC1	ZINC000824003581	615356637	/nfs/dbraw/zinc/35/66/37/615356637.db2.gz	CMRQGHRBKWFNCX-UHFFFAOYSA-N	-1	0	271.342	0.207	20	30		CCEDRM
CC[C@@H](C#N)NS(=O)(=O)c1ccc(OCC(=O)[O-])cc1	ZINC000833636082	615366395	/nfs/dbraw/zinc/36/63/95/615366395.db2.gz	GLAFQAGUWUTSLM-VIFPVBQESA-N	-1	0	298.320	0.730	20	30		CCEDRM
CCO[N-]C(=O)CNC(=O)c1c(F)cc(C#N)cc1F	ZINC000846494619	615370375	/nfs/dbraw/zinc/37/03/75/615370375.db2.gz	SYMTXCAPZZMHDF-UHFFFAOYSA-N	-1	0	283.234	0.634	20	30		CCEDRM
CCO[N-]C(=O)CNS(=O)(=O)c1ccc(C#N)cc1C	ZINC000846003784	615375458	/nfs/dbraw/zinc/37/54/58/615375458.db2.gz	ODQZUOYNODAAMO-UHFFFAOYSA-N	-1	0	297.336	0.213	20	30		CCEDRM
CCO[N-]C(=O)CNc1ncc([N+](=O)[O-])cc1C#N	ZINC000845715748	615377088	/nfs/dbraw/zinc/37/70/88/615377088.db2.gz	PIAVVUZHXGPGNR-UHFFFAOYSA-N	-1	0	265.229	0.341	20	30		CCEDRM
CCOc1ccc(O)c(/C=N/CC(=O)[N-]OC)c1	ZINC000899227006	615511894	/nfs/dbraw/zinc/51/18/94/615511894.db2.gz	CQASEVNCJSMKQG-NTUHNPAUSA-N	-1	0	252.270	0.887	20	30		CCEDRM
CC[C@@H](NC(=O)C(=O)Nc1ccc(F)c(C#N)c1)C(=O)[O-]	ZINC000818266585	615524578	/nfs/dbraw/zinc/52/45/78/615524578.db2.gz	DCFQHEIKYFBPFW-SNVBAGLBSA-N	-1	0	293.254	0.615	20	30		CCEDRM
CCOc1ncccc1C(=O)N[C@H]1CCCN(O)C1=O	ZINC000816758248	615526240	/nfs/dbraw/zinc/52/62/40/615526240.db2.gz	LDNOAMNFVDGXSY-JTQLQIEISA-N	-1	0	279.296	0.590	20	30		CCEDRM
CC[C@@H](NN=Cc1cnn(CC(F)F)c1)C(=O)[O-]	ZINC000814229244	615536548	/nfs/dbraw/zinc/53/65/48/615536548.db2.gz	UXCRSENQBDQEIX-MRVPVSSYSA-N	-1	0	260.244	0.935	20	30		CCEDRM
CC[C@@](C)(C#N)C(=O)N1CCO[C@](C)(C(=O)[O-])C1	ZINC000923099293	615587976	/nfs/dbraw/zinc/58/79/76/615587976.db2.gz	ASMISVDKMVLCFP-RYUDHWBXSA-N	-1	0	254.286	0.628	20	30		CCEDRM
CC[C@H](C#N)NS(=O)(=O)c1cc(C(=O)[O-])co1	ZINC000833636648	615599996	/nfs/dbraw/zinc/59/99/96/615599996.db2.gz	YPUWNUAJNHWEOA-SSDOTTSWSA-N	-1	0	258.255	0.558	20	30		CCEDRM
CCc1cc(C(=O)[N-]S(=O)(=O)CC2(C#N)CC2)[nH]n1	ZINC000793204097	615627343	/nfs/dbraw/zinc/62/73/43/615627343.db2.gz	OEUONRXVVKHUBK-UHFFFAOYSA-N	-1	0	282.325	0.335	20	30		CCEDRM
CCn1nc(C)cc1C(=O)N1CCN(C(=O)[O-])C[C@@H]1C#N	ZINC000827718189	615670814	/nfs/dbraw/zinc/67/08/14/615670814.db2.gz	WOSYQHXBNDGILB-JTQLQIEISA-N	-1	0	291.311	0.539	20	30		CCEDRM
CCn1nc(C)cc1C(=O)N[C@H]1CCCN(O)C1=O	ZINC000848139519	615672611	/nfs/dbraw/zinc/67/26/11/615672611.db2.gz	XQFQFFWXHALOQG-VIFPVBQESA-N	-1	0	266.301	0.321	20	30		CCEDRM
CC[C@H](C)[C@H](NC(=O)[O-])C(=O)NC1=NO[C@H](C)C1	ZINC000833865188	615694226	/nfs/dbraw/zinc/69/42/26/615694226.db2.gz	NKELOMKBRYKUGQ-OOZYFLPDSA-N	-1	0	257.290	0.907	20	30		CCEDRM
CC[C@H](CNC(=O)[C@]1(C#N)CCCOC1)C(=O)[O-]	ZINC000923086970	615725883	/nfs/dbraw/zinc/72/58/83/615725883.db2.gz	RULIETQHDLZWRY-SKDRFNHKSA-N	-1	0	254.286	0.534	20	30		CCEDRM
CN(C(=O)COC1CN(C(=O)[O-])C1)C1(C#N)CCC1	ZINC000827774815	615818325	/nfs/dbraw/zinc/81/83/25/615818325.db2.gz	MQPYGNPUWSQPEM-UHFFFAOYSA-N	-1	0	267.285	0.270	20	30		CCEDRM
CC[C@H](NN=C1C(=O)Nc2c1ccc(OC)c2F)C(=O)[O-]	ZINC000834981499	615819780	/nfs/dbraw/zinc/81/97/80/615819780.db2.gz	QXPIUYLTVMTQCY-ZETCQYMHSA-N	-1	0	295.270	0.943	20	30		CCEDRM
CC[C@H](O)CNN=Cc1ccc([N+](=O)[O-])c([O-])c1	ZINC000811655194	615830247	/nfs/dbraw/zinc/83/02/47/615830247.db2.gz	HLUWYCLWLCNWHK-VIFPVBQESA-N	-1	0	253.258	0.995	20	30		CCEDRM
CN(C(=O)[O-])[C@H]1CCN(C(=O)c2ccc(C#N)cn2)C1	ZINC000827872207	615845402	/nfs/dbraw/zinc/84/54/02/615845402.db2.gz	XXQNPVZTQSJBDN-JTQLQIEISA-N	-1	0	274.280	0.778	20	30		CCEDRM
CN(C)CC#CCNC(=O)c1ccc2oc(=O)nc-2[n-]1	ZINC000913522729	615861391	/nfs/dbraw/zinc/86/13/91/615861391.db2.gz	WLWGGMYCIJLURU-UHFFFAOYSA-N	-1	0	274.280	0.223	20	30		CCEDRM
CN(C(=O)[C@@](C)(C#N)CC(=O)[O-])[C@H]1CCSC1	ZINC000820517756	615869722	/nfs/dbraw/zinc/86/97/22/615869722.db2.gz	QNADYEDJPAKCQE-GZMMTYOYSA-N	-1	0	256.327	0.955	20	30		CCEDRM
CN(C(=O)[C@H]1CN(C(=O)[O-])CCO1)C1(C#N)CCC1	ZINC000827745328	615886568	/nfs/dbraw/zinc/88/65/68/615886568.db2.gz	JUSBHYJYKQSOSM-SECBINFHSA-N	-1	0	267.285	0.270	20	30		CCEDRM
CCn1cc(CNC(=O)[C@@](C)(C#N)CC(=O)[O-])cn1	ZINC000820511373	615995086	/nfs/dbraw/zinc/99/50/86/615995086.db2.gz	DLNAJHLPITUZCU-GFCCVEGCSA-N	-1	0	264.285	0.524	20	30		CCEDRM
CCn1cc(S(=O)(=O)[N-]C(=O)CC2(C#N)CC2)nc1C	ZINC000816002607	616010671	/nfs/dbraw/zinc/01/06/71/616010671.db2.gz	XJGIQKHZWGOQBS-UHFFFAOYSA-N	-1	0	296.352	0.710	20	30		CCEDRM
CCn1ccc(CC(=O)[N-]S(=O)(=O)CCCC#N)n1	ZINC000845503435	616026751	/nfs/dbraw/zinc/02/67/51/616026751.db2.gz	VFRCEWZTUMPWNC-UHFFFAOYSA-N	-1	0	284.341	0.195	20	30		CCEDRM
CN(C)c1ncccc1CNC(=O)[C@](C)(C#N)CC(=O)[O-]	ZINC000820554339	616037393	/nfs/dbraw/zinc/03/73/93/616037393.db2.gz	MXQCDXLZTUQKDE-AWEZNQCLSA-N	-1	0	290.323	0.768	20	30		CCEDRM
CNC(=O)CC1CCN(C(=O)[C@@](C)(C#N)CC(=O)[O-])CC1	ZINC000820630190	616561575	/nfs/dbraw/zinc/56/15/75/616561575.db2.gz	BSZJXXJROOCDIN-CQSZACIVSA-N	-1	0	295.339	0.366	20	30		CCEDRM
COC(=O)C[C@H](NC(=O)c1cc(C#N)cs1)C(=O)[O-]	ZINC000831133189	616699274	/nfs/dbraw/zinc/69/92/74/616699274.db2.gz	COPFQYMKCRGFRW-ZETCQYMHSA-N	-1	0	282.277	0.366	20	30		CCEDRM
COCC(COC)NN=Cc1cc([O-])ccc1[N+](=O)[O-]	ZINC000863196103	616736817	/nfs/dbraw/zinc/73/68/17/616736817.db2.gz	XLYMQMPSNDHNDC-UHFFFAOYSA-N	-1	0	283.284	0.885	20	30		CCEDRM
CNC(=O)C(C#N)=C([O-])c1cc(C#N)cc(N(C)C)c1	ZINC000815911653	616777079	/nfs/dbraw/zinc/77/70/79/616777079.db2.gz	IOZQEMIVIIKDTA-LBPRGKRZSA-N	-1	0	270.292	0.693	20	30		CCEDRM
CNC(=O)C(C#N)=C([O-])c1cnc(C(C)C)nc1C	ZINC000892518568	616778042	/nfs/dbraw/zinc/77/80/42/616778042.db2.gz	YFUQLSDYNGPDEF-VIFPVBQESA-N	-1	0	260.297	0.977	20	30		CCEDRM
COC[C@](C)(C#N)NC(=O)CO[C@@H]1CCCN(C(=O)[O-])C1	ZINC000828885888	616816519	/nfs/dbraw/zinc/81/65/19/616816519.db2.gz	PQYFSWWHWKFPEW-MFKMUULPSA-N	-1	0	299.327	0.190	20	30		CCEDRM
COC[C@](C)(C#N)NC(=O)c1ccc(C(=O)[O-])cn1	ZINC000831540943	616817419	/nfs/dbraw/zinc/81/74/19/616817419.db2.gz	IBGYWLGXXCWCTK-LBPRGKRZSA-N	-1	0	263.253	0.438	20	30		CCEDRM
COCC1CCN(C(=O)[C@@](C)(C#N)CC(=O)[O-])CC1	ZINC000820715490	616821019	/nfs/dbraw/zinc/82/10/19/616821019.db2.gz	WJIMEWBFEZQMDR-CYBMUJFWSA-N	-1	0	268.313	0.876	20	30		CCEDRM
COC[C@](C)(NC(=O)c1ccc(C=NOC)cc1)C(=O)[O-]	ZINC000831617354	616831708	/nfs/dbraw/zinc/83/17/08/616831708.db2.gz	HVOOPVZNECEMLT-AWEZNQCLSA-N	-1	0	294.307	0.886	20	30		CCEDRM
CNC(=O)[C@H](C#N)C(=O)[C@@H]1CCC[C@@H](C(=O)[O-])C1	ZINC000830968407	616838838	/nfs/dbraw/zinc/83/88/38/616838838.db2.gz	CTCXMPFAIVEQHU-IWSPIJDZSA-N	-1	0	252.270	0.332	20	30		CCEDRM
CNC(=O)C(C#N)=C([O-])c1cnc(C(C)(C)C)nc1	ZINC000808979658	616839302	/nfs/dbraw/zinc/83/93/02/616839302.db2.gz	YOHSLLPQNRBKNJ-SECBINFHSA-N	-1	0	260.297	0.843	20	30		CCEDRM
CNC(=O)C(C#N)=C([O-])c1ccnc(NC(=O)C(C)C)c1	ZINC000815912087	616839354	/nfs/dbraw/zinc/83/93/54/616839354.db2.gz	YVCILCUGLNQAMI-SNVBAGLBSA-N	-1	0	288.307	0.745	20	30		CCEDRM
CNC(=O)C(C#N)=C([O-])c1cc(C)n(-c2cnn(C)c2)c1C	ZINC000850764169	616839449	/nfs/dbraw/zinc/83/94/49/616839449.db2.gz	NTGBZUKMKYQVJZ-CYBMUJFWSA-N	-1	0	299.334	0.896	20	30		CCEDRM
COC(=O)c1cc(CN(CC#N)CC(=O)[O-])c(C)o1	ZINC000831247879	616844566	/nfs/dbraw/zinc/84/45/66/616844566.db2.gz	HFBMNAVBVOZPHS-UHFFFAOYSA-N	-1	0	266.253	0.785	20	30		CCEDRM
COCCCNC(=O)C(C#N)=C([O-])c1c(Cl)cnn1C	ZINC000850752042	616898669	/nfs/dbraw/zinc/89/86/69/616898669.db2.gz	KEQIDACYNAGVHV-QMMMGPOBSA-N	-1	0	298.730	0.549	20	30		CCEDRM
COCCCS(=O)(=O)N1CCC[C@H](C#CC(=O)[O-])C1	ZINC000899927664	616927582	/nfs/dbraw/zinc/92/75/82/616927582.db2.gz	ZWCDWRVGDOCXOS-LLVKDONJSA-N	-1	0	289.353	0.153	20	30		CCEDRM
CNC(=S)NN=C(C)c1ccc(-c2nn[nH]n2)cc1F	ZINC000826073580	616931248	/nfs/dbraw/zinc/93/12/48/616931248.db2.gz	XYAFJIKEUMKNQE-UHFFFAOYSA-N	-1	0	293.331	0.824	20	30		CCEDRM
COCCN(C)S(=O)(=O)[N-]C(=O)CCCCCC#N	ZINC000805894279	616969693	/nfs/dbraw/zinc/96/96/93/616969693.db2.gz	BZFPIVFEBGARFO-UHFFFAOYSA-N	-1	0	291.373	0.400	20	30		CCEDRM
CO[C@H](C(=O)[N-]S(=O)(=O)c1cncc(C#N)c1)C1CC1	ZINC000813984537	616982478	/nfs/dbraw/zinc/98/24/78/616982478.db2.gz	WKJIQLBTNLJSTF-NSHDSACASA-N	-1	0	295.320	0.183	20	30		CCEDRM
COCc1sccc1C(=O)N[C@H]1CCN(O)C1=O	ZINC000820126856	616988436	/nfs/dbraw/zinc/98/84/36/616988436.db2.gz	HHXCGMZACUFWKK-QMMMGPOBSA-N	-1	0	270.310	0.614	20	30		CCEDRM
COC[C@@](C)(C#N)NC(=O)CCC(C)(C)NC(=O)[O-]	ZINC000828885847	617011214	/nfs/dbraw/zinc/01/12/14/617011214.db2.gz	PAARCEMSRIYUCT-GFCCVEGCSA-N	-1	0	271.317	0.858	20	30		CCEDRM
COC[C@@](C)(C#N)NC(=O)CC[C@@H]1CCCN1C(=O)[O-]	ZINC000833882023	617011430	/nfs/dbraw/zinc/01/14/30/617011430.db2.gz	IDXXKLQHPXJXDA-GXFFZTMASA-N	-1	0	283.328	0.954	20	30		CCEDRM
COC[C@@](C)(CC(=O)[O-])NC(=O)Cc1noc(C)c1C#N	ZINC000833721026	617012871	/nfs/dbraw/zinc/01/28/71/617012871.db2.gz	NCYJDSZGJAXOMV-CYBMUJFWSA-N	-1	0	295.295	0.393	20	30		CCEDRM
COC[C@H](C#N)OC(=O)c1ccc(CNC(=O)[O-])o1	ZINC000833881780	617047636	/nfs/dbraw/zinc/04/76/36/617047636.db2.gz	CZHMICDYUJCBOO-QMMMGPOBSA-N	-1	0	268.225	0.743	20	30		CCEDRM
CO[C@H](C)CS(=O)(=O)[N-][C@@H](CC#N)C(F)(F)F	ZINC000901772405	617076785	/nfs/dbraw/zinc/07/67/85/617076785.db2.gz	RVMSMAQAYGAEDY-RQJHMYQMSA-N	-1	0	274.264	0.785	20	30		CCEDRM
CO[C@H](CNC(=O)[C@@](C)(C#N)CC(=O)[O-])C(C)C	ZINC000820697097	617088058	/nfs/dbraw/zinc/08/80/58/617088058.db2.gz	RNAXUSHTUCPRSN-BXKDBHETSA-N	-1	0	256.302	0.778	20	30		CCEDRM
CO[C@@H](C)CS(=O)(=O)[N-]C(=O)c1ccc(C)c(C#N)c1	ZINC000799628785	617159488	/nfs/dbraw/zinc/15/94/88/617159488.db2.gz	KQOIVAKLGMAOMA-JTQLQIEISA-N	-1	0	296.348	0.961	20	30		CCEDRM
CO[C@@H](CC(C)C)C(=O)[N-]S(=O)(=O)CC1(C#N)CC1	ZINC000842334314	617162031	/nfs/dbraw/zinc/16/20/31/617162031.db2.gz	UVGGBZKTJVSXKL-JTQLQIEISA-N	-1	0	288.369	0.797	20	30		CCEDRM
C#C[C@@H](C)NS(=O)(=O)c1cc(C(=O)[O-])ccc1OC	ZINC000122956145	625403494	/nfs/dbraw/zinc/40/34/94/625403494.db2.gz	VOVDYZGRRWZPDH-MRVPVSSYSA-N	-1	0	283.305	0.693	20	30		CCEDRM
C#C[C@H](C)NS(=O)(=O)c1cc(C(=O)[O-])n(C)c1	ZINC000122982835	625423334	/nfs/dbraw/zinc/42/33/34/625423334.db2.gz	YXWAAHHNUQOUJP-ZETCQYMHSA-N	-1	0	256.283	0.023	20	30		CCEDRM
CC[C@@H](NN=Cc1cc(Br)nn1C)C(=O)[O-]	ZINC000309346514	622813373	/nfs/dbraw/zinc/81/33/73/622813373.db2.gz	LTEJXRLFONHFFE-SSDOTTSWSA-N	-1	0	289.133	0.969	20	30		CCEDRM
C=C(Br)CNC(=O)N[C@H](COC)C(=O)[O-]	ZINC000168363344	623028401	/nfs/dbraw/zinc/02/84/01/623028401.db2.gz	UGWXPOUOZNTDGT-ZCFIWIBFSA-N	-1	0	281.106	0.294	20	30		CCEDRM
N#CC1CN(S(=O)(=O)c2ccc(C(=O)[O-])cc2F)C1	ZINC000926551318	623056032	/nfs/dbraw/zinc/05/60/32/623056032.db2.gz	SCIKDCCQKORFOX-UHFFFAOYSA-N	-1	0	284.268	0.668	20	30		CCEDRM
N#Cc1ccccc1CS(=O)(=O)[N-]C(=O)COC1CC1	ZINC000892410502	623178073	/nfs/dbraw/zinc/17/80/73/623178073.db2.gz	BZAGLJVTAIHEDW-UHFFFAOYSA-N	-1	0	294.332	0.683	20	30		CCEDRM
N#Cc1cccc(S(=O)(=O)[N-]C(=O)COC2CC2)c1	ZINC000892422937	623221231	/nfs/dbraw/zinc/22/12/31/623221231.db2.gz	YUPVEOAKFRTCDZ-UHFFFAOYSA-N	-1	0	280.305	0.542	20	30		CCEDRM
C=CC[C@@H]1CCN1C(=O)CCn1cc(C#N)c(=O)[n-]c1=O	ZINC000890548721	624478217	/nfs/dbraw/zinc/47/82/17/624478217.db2.gz	XWEZCRZCMQDION-LLVKDONJSA-N	-1	0	288.307	0.388	20	30		CCEDRM
N#CCCNS(=O)(=O)c1ccc(O)c(C(=O)[O-])c1	ZINC000048323249	624784374	/nfs/dbraw/zinc/78/43/74/624784374.db2.gz	RJYUOJOKGCMBPX-UHFFFAOYSA-N	-1	0	270.266	0.282	20	30		CCEDRM
N#Cc1cnccc1[N-]S(=O)(=O)CCOCC1CC1	ZINC000903150883	634538912	/nfs/dbraw/zinc/53/89/12/634538912.db2.gz	YZZBMIYFVWOZTB-UHFFFAOYSA-N	-1	0	281.337	0.543	20	30		CCEDRM
C=CCCCN(CC)C(=O)C(=O)N1CC[C@@H](C(=O)[O-])C1	ZINC000904950210	634770655	/nfs/dbraw/zinc/77/06/55/634770655.db2.gz	XRIKABHSJQRWNK-LLVKDONJSA-N	-1	0	282.340	0.734	20	30		CCEDRM
Cc1[nH]nc(C(=O)N2CCCN(CC#N)CC2)c1[O-]	ZINC000980981705	631089346	/nfs/dbraw/zinc/08/93/46/631089346.db2.gz	FWWCMLYEXRURRW-UHFFFAOYSA-N	-1	0	263.301	0.095	20	30		CCEDRM
C=CCOCCCC(=O)N[C@](C)(COC)C(=O)[O-]	ZINC000262090191	631908321	/nfs/dbraw/zinc/90/83/21/631908321.db2.gz	LMDNJFWGPKPIDG-GFCCVEGCSA-N	-1	0	259.302	0.575	20	30		CCEDRM
Cc1[nH]nc(C(=O)N2C[C@H](NCC#N)C[C@H]2C)c1[O-]	ZINC000988659794	633073024	/nfs/dbraw/zinc/07/30/24/633073024.db2.gz	CTNQABJCYLZOEY-VXNVDRBHSA-N	-1	0	263.301	0.140	20	30		CCEDRM
N#Cc1ccccc1S(=O)(=O)N1C[C@H]2[C@H](C(=O)[O-])[C@H]2C1	ZINC000899939700	633927111	/nfs/dbraw/zinc/92/71/11/633927111.db2.gz	SMOTVOSTBFQFLR-IAZYJMLFSA-N	-1	0	292.316	0.509	20	30		CCEDRM
C[C@@H]1C[C@@H](NN=Cc2cc(C(=O)[O-])nn2C)C[C@H](C)O1	ZINC000901299999	634221765	/nfs/dbraw/zinc/22/17/65/634221765.db2.gz	QCIDVAJJTUHUGX-ILWJIGKKSA-N	-1	0	280.328	0.998	20	30		CCEDRM
Cn1ncc(C(=O)[O-])c1/C=C1\S/C(=N/C2CC2)NC1=O	ZINC000901540423	634258465	/nfs/dbraw/zinc/25/84/65/634258465.db2.gz	VKBYANSQBZLMEL-WTKPLQERSA-N	-1	0	292.320	0.841	20	30		CCEDRM
C[C@H](CN(C)C(=O)c1cccc(C#CCO)c1)c1nnn[n-]1	ZINC000907350761	635109956	/nfs/dbraw/zinc/10/99/56/635109956.db2.gz	VCEMFJPOVFLNEO-LLVKDONJSA-N	-1	0	299.334	0.419	20	30		CCEDRM
O=C(N[C@@H]1CCCN(O)C1=O)c1cccc(C#CCO)c1	ZINC000908402322	635367157	/nfs/dbraw/zinc/36/71/57/635367157.db2.gz	FDFOYWVFNFEJFR-CYBMUJFWSA-N	-1	0	288.303	0.140	20	30		CCEDRM
C=CC[C@@H](C(=O)NCC(=O)NCC(=O)[O-])c1ccccc1	ZINC000910332092	635740296	/nfs/dbraw/zinc/74/02/96/635740296.db2.gz	HNRAXEBKYSDPJA-GFCCVEGCSA-N	-1	0	290.319	0.663	20	30		CCEDRM
C#CCOCCC(=O)[N-]S(=O)(=O)c1ccccc1C	ZINC000165184811	636896808	/nfs/dbraw/zinc/89/68/08/636896808.db2.gz	VDQMZNMYWVZTDN-UHFFFAOYSA-N	-1	0	281.333	0.840	20	30		CCEDRM
O=C1[N-]C(=O)C(=NN=c2[nH]c3ccccc3s2)C(=O)N1	ZINC000059449628	637004601	/nfs/dbraw/zinc/00/46/01/637004601.db2.gz	LDRPWRXGTYCMGB-UHFFFAOYSA-N	-1	0	289.276	0.430	20	30		CCEDRM
C#CC[C@H](NC(=O)COCc1ccccc1)C(=O)[O-]	ZINC000059952075	637030234	/nfs/dbraw/zinc/03/02/34/637030234.db2.gz	WIMBXHVJJGTPAP-LBPRGKRZSA-N	-1	0	261.277	0.796	20	30		CCEDRM
C#C[C@@H](CCC)NS(=O)(=O)c1cc(C(=O)[O-])n(C)c1	ZINC000229873681	637135175	/nfs/dbraw/zinc/13/51/75/637135175.db2.gz	ICPMNFGWPQKMSJ-VIFPVBQESA-N	-1	0	284.337	0.804	20	30		CCEDRM
C[C@H](CO)N(C)N=Cc1ccc([N+](=O)[O-])c([O-])c1	ZINC000842540413	637338498	/nfs/dbraw/zinc/33/84/98/637338498.db2.gz	KTMHHYKXMRRKFP-MRVPVSSYSA-N	-1	0	253.258	0.947	20	30		CCEDRM
Cc1ccccc1OCC(=O)[N-]S(=O)(=O)CCC#N	ZINC000835414379	637724019	/nfs/dbraw/zinc/72/40/19/637724019.db2.gz	ZHVJKDHIBWNIHI-UHFFFAOYSA-N	-1	0	282.321	0.734	20	30		CCEDRM
Cc1nnc(NN=Cc2ccc(C(N)=O)cc2)[n-]c1=O	ZINC000915944050	637880404	/nfs/dbraw/zinc/88/04/04/637880404.db2.gz	CGDLBRKJVDGZDB-UHFFFAOYSA-N	-1	0	272.268	0.431	20	30		CCEDRM
N#CC(C(=O)N1CCCC1)=C([O-])c1ccc([N+](=O)[O-])[nH]1	ZINC000916871548	637930121	/nfs/dbraw/zinc/93/01/21/637930121.db2.gz	OZIBPRCFZIPVGZ-QMMMGPOBSA-N	-1	0	276.252	0.868	20	30		CCEDRM
N#CC(C(=O)NC1CC1)=C([O-])c1ccc(NC(N)=O)cc1	ZINC000916927474	637932897	/nfs/dbraw/zinc/93/28/97/637932897.db2.gz	UQMBVDHBMNSBHH-LLVKDONJSA-N	-1	0	286.291	0.778	20	30		CCEDRM
N#CCCCS(=O)(=O)[N-]C(=O)CCc1ccco1	ZINC000181286749	638331204	/nfs/dbraw/zinc/33/12/04/638331204.db2.gz	CZTHQVFQABPIQH-UHFFFAOYSA-N	-1	0	270.310	0.962	20	30		CCEDRM
N#CCCCS(=O)(=O)[N-]C(=O)c1cccnc1	ZINC000181293967	638332575	/nfs/dbraw/zinc/33/25/75/638332575.db2.gz	XSFFUUMLKMCECR-UHFFFAOYSA-N	-1	0	253.283	0.445	20	30		CCEDRM
N#C[C@@]1(C(=O)NC[C@@H](CC(=O)[O-])C2CC2)CCCOC1	ZINC000923094829	640021292	/nfs/dbraw/zinc/02/12/92/640021292.db2.gz	UGAUITXSKSRAFI-RISCZKNCSA-N	-1	0	280.324	0.924	20	30		CCEDRM
C=CCCOCC[N-]S(=O)(=O)N=S1(=O)CCCC1	ZINC000867017097	640353659	/nfs/dbraw/zinc/35/36/59/640353659.db2.gz	DWLATSDYPPGIMS-UHFFFAOYSA-N	-1	0	296.414	0.675	20	30		CCEDRM
CC#CCS(=O)(=O)[N-]C(=O)c1sccc1OC	ZINC000791111470	640445779	/nfs/dbraw/zinc/44/57/79/640445779.db2.gz	SKQJFKKBZXSTSQ-UHFFFAOYSA-N	-1	0	273.335	0.840	20	30		CCEDRM
C[C@@H](C(=O)[N-]S(=O)(=O)CC(C)(C)C)n1cnc(C#N)n1	ZINC000798829801	640530764	/nfs/dbraw/zinc/53/07/64/640530764.db2.gz	KCRKQGUERLUWPK-QMMMGPOBSA-N	-1	0	299.356	0.203	20	30		CCEDRM
N#Cc1ccc(CNC(=O)[C@@H]2CC[C@H](C(=O)[O-])O2)nc1	ZINC000806555821	640791145	/nfs/dbraw/zinc/79/11/45/640791145.db2.gz	YITXAQZXBRRMSI-WDEREUQCSA-N	-1	0	275.264	0.202	20	30		CCEDRM
C#CCCCC(=O)[N-]S(=O)(=O)c1c(C)onc1N	ZINC000810829220	640951376	/nfs/dbraw/zinc/95/13/76/640951376.db2.gz	GPEFDDGZBHGOCA-UHFFFAOYSA-N	-1	0	271.298	0.174	20	30		CCEDRM
N#Cc1cncc(S(=O)(=O)[N-]C(=O)c2cocn2)c1	ZINC000813981551	641051251	/nfs/dbraw/zinc/05/12/51/641051251.db2.gz	QVUUZFDTKXNUNL-UHFFFAOYSA-N	-1	0	278.249	0.060	20	30		CCEDRM
Cn1cc(C=[NH+][N-]c2ccc(C(=O)[O-])cn2)c(=O)[nH]1	ZINC000814224618	641061494	/nfs/dbraw/zinc/06/14/94/641061494.db2.gz	KMIRZKAFLPNCDS-UHFFFAOYSA-N	-1	0	261.241	0.665	20	30		CCEDRM
NC(=O)CON=C1CCc2cccc(C(=O)[O-])c2C1	ZINC000814893384	641080803	/nfs/dbraw/zinc/08/08/03/641080803.db2.gz	OOEKNOWJXCUHHJ-UHFFFAOYSA-N	-1	0	262.265	0.731	20	30		CCEDRM
Cn1nncc1NN=C1C(=O)Nc2cc(O)ccc21	ZINC000814983080	641087148	/nfs/dbraw/zinc/08/71/48/641087148.db2.gz	BSYGHBZLUQRTDK-UHFFFAOYSA-N	-1	0	258.241	0.289	20	30		CCEDRM
N#CC1(CC(=O)[N-]S(=O)(=O)c2cccnc2)CC1	ZINC000815895930	641128167	/nfs/dbraw/zinc/12/81/67/641128167.db2.gz	LJKDQPVEGCPRFQ-UHFFFAOYSA-N	-1	0	265.294	0.580	20	30		CCEDRM
C#CCCCC(=O)[N-]S(=O)(=O)c1cnn2c1OCCC2	ZINC000816206904	641145896	/nfs/dbraw/zinc/14/58/96/641145896.db2.gz	HODCAHKAVSZRGD-UHFFFAOYSA-N	-1	0	297.336	0.274	20	30		CCEDRM
O=C(N[C@H]1CCN(O)C1=O)c1ccc([N+](=O)[O-])c([O-])c1	ZINC000816691207	641191435	/nfs/dbraw/zinc/19/14/35/641191435.db2.gz	NBZVNCRGUNCNMT-ZETCQYMHSA-N	-1	0	281.224	0.020	20	30		CCEDRM
O=C(N[C@H]1CCCN(O)C1=O)c1cc([O-])ccc1[N+](=O)[O-]	ZINC000816754063	641209661	/nfs/dbraw/zinc/20/96/61/641209661.db2.gz	VWJGEWWBSWRIRP-VIFPVBQESA-N	-1	0	295.251	0.410	20	30		CCEDRM
O=C([O-])COc1ccccc1C=NN[C@@H]1CCC[C@H]1O	ZINC000817331621	641254370	/nfs/dbraw/zinc/25/43/70/641254370.db2.gz	QHCYMMPJDVMBQW-VXGBXAGGSA-N	-1	0	278.308	0.987	20	30		CCEDRM
C[C@@](C#N)(CC(=O)[O-])C(=O)OCCCN1CCCC1=O	ZINC000819865366	641436140	/nfs/dbraw/zinc/43/61/40/641436140.db2.gz	KRNODRGMCWHHFT-ZDUSSCGKSA-N	-1	0	282.296	0.547	20	30		CCEDRM
O=C(C[C@@H]1OCc2ccccc21)N[C@H]1CCN(O)C1=O	ZINC000820131676	641464794	/nfs/dbraw/zinc/46/47/94/641464794.db2.gz	KKGQFXWACYQYNB-RYUDHWBXSA-N	-1	0	276.292	0.754	20	30		CCEDRM
N#CCCS(=O)(=O)[N-]C(=O)Cc1cc(F)ccc1F	ZINC000821582031	641610054	/nfs/dbraw/zinc/61/00/54/641610054.db2.gz	ASKJLJGAOSYZKF-UHFFFAOYSA-N	-1	0	288.275	0.867	20	30		CCEDRM
C#C[C@@H]1CCCN(C(=O)c2cccc(-n3[n-]nnc3=N)c2)C1	ZINC000824291421	641816344	/nfs/dbraw/zinc/81/63/44/641816344.db2.gz	XQWNDKXMOYIECL-LLVKDONJSA-N	-1	0	296.334	0.560	20	30		CCEDRM
C[C@@]1(C(=O)[N-]Oc2cccc(C#N)c2)CCNC1=O	ZINC000825266060	641876944	/nfs/dbraw/zinc/87/69/44/641876944.db2.gz	BLULJPSLFVMLMF-CYBMUJFWSA-N	-1	0	259.265	0.494	20	30		CCEDRM
C#CCO[C@@H](C)C(=O)[N-]S(=O)(=O)c1ccc(C)cc1	ZINC000835026959	642646413	/nfs/dbraw/zinc/64/64/13/642646413.db2.gz	AFEBZUFKFSGCRS-NSHDSACASA-N	-1	0	281.333	0.838	20	30		CCEDRM
C[C@H](CC#N)N(C)S(=O)(=O)N(CCC(=O)[O-])C1CC1	ZINC000844791875	643248436	/nfs/dbraw/zinc/24/84/36/643248436.db2.gz	OEHOVFUPVFJTBI-SECBINFHSA-N	-1	0	289.357	0.404	20	30		CCEDRM
C[C@H](CC#N)N(C)S(=O)(=O)NCC[C@H](C)C(=O)[O-]	ZINC000844785785	643248657	/nfs/dbraw/zinc/24/86/57/643248657.db2.gz	NDWXUKGAMBNMML-DTWKUNHWSA-N	-1	0	277.346	0.166	20	30		CCEDRM
CC#CC[C@@H](NS(=O)(=O)N(C)C(C)C)C(=O)[O-]	ZINC000275024281	650841174	/nfs/dbraw/zinc/84/11/74/650841174.db2.gz	PDUZBKUQYVAMIT-SECBINFHSA-N	-1	0	262.331	0.028	20	30		CCEDRM
O=C([O-])c1cc(C=NNCCCn2ccnc2)c[nH]1	ZINC000848416527	643634632	/nfs/dbraw/zinc/63/46/32/643634632.db2.gz	OCGRTPNZBMURLV-UHFFFAOYSA-N	-1	0	261.285	0.923	20	30		CCEDRM
O=C([O-])Cn1cc(/C=C2\S/C(=N/C3CC3)NC2=O)nn1	ZINC000849252144	643722120	/nfs/dbraw/zinc/72/21/20/643722120.db2.gz	QQQZICGIEMYZJY-BAQGIRSFSA-N	-1	0	293.308	0.085	20	30		CCEDRM
N#Cc1ccc(NC(=O)C(=O)[N-]OCC2CCC2)nc1	ZINC000850719903	643809582	/nfs/dbraw/zinc/80/95/82/643809582.db2.gz	UJSAVWISQBIIBJ-UHFFFAOYSA-N	-1	0	274.280	0.740	20	30		CCEDRM
C[C@@H](CC#N)C(=O)[N-]S(=O)(=O)[C@@H]1CCCOC1	ZINC000850933989	643822531	/nfs/dbraw/zinc/82/25/31/643822531.db2.gz	NXIWUPVJFWVUHH-DTWKUNHWSA-N	-1	0	260.315	0.161	20	30		CCEDRM
C[C@H](CC#N)C(=O)[N-]S(=O)(=O)[C@H]1CCCOC1	ZINC000850933988	643822870	/nfs/dbraw/zinc/82/28/70/643822870.db2.gz	NXIWUPVJFWVUHH-BDAKNGLRSA-N	-1	0	260.315	0.161	20	30		CCEDRM
C[C@@H](CC(=O)[N-]S(=O)(=O)CCC#N)[C@H]1CCCO1	ZINC000851016388	643826321	/nfs/dbraw/zinc/82/63/21/643826321.db2.gz	SVIJHKOBEKIRLE-VHSXEESVSA-N	-1	0	274.342	0.551	20	30		CCEDRM
C[C@H](CC#N)C(=O)[N-]S(=O)(=O)c1cccn1C	ZINC000851082908	643831485	/nfs/dbraw/zinc/83/14/85/643831485.db2.gz	MFEFTKMZCBQQOD-MRVPVSSYSA-N	-1	0	255.299	0.380	20	30		CCEDRM
C[C@H](CC#N)N(C)S(=O)(=O)N[C@H]1CC=C(C(=O)[O-])C1	ZINC000853070021	644072206	/nfs/dbraw/zinc/07/22/06/644072206.db2.gz	UNGCZKGKDIMGLM-SCZZXKLOSA-N	-1	0	287.341	0.228	20	30		CCEDRM
O=C(N[C@@H]1CCCN(O)C1=O)c1ccc2oc(=O)nc-2[n-]1	ZINC000854648824	644242257	/nfs/dbraw/zinc/24/22/57/644242257.db2.gz	KOXFPBSDFYREGW-SSDOTTSWSA-N	-1	0	292.251	0.038	20	30		CCEDRM
C[C@@H]1C(=O)N(N=Cc2cc([O-])ccc2[N+](=O)[O-])C(=O)N1C	ZINC000857215271	644482603	/nfs/dbraw/zinc/48/26/03/644482603.db2.gz	RXQHVIYGIGXTGG-SSDOTTSWSA-N	-1	0	292.251	0.917	20	30		CCEDRM
Cc1ncc(CO)c(C=NN2CCOC2=O)c1O	ZINC000863162719	645064539	/nfs/dbraw/zinc/06/45/39/645064539.db2.gz	WUHYVDLWYSEGBE-UHFFFAOYSA-N	-1	0	251.242	0.374	20	30		CCEDRM
C[C@H]1CCn2cc(C(=O)N[C@@H]3CCCN(O)C3=O)nc2C1	ZINC000868562467	645785868	/nfs/dbraw/zinc/78/58/68/645785868.db2.gz	FQOZZOZXOHPSFK-VHSXEESVSA-N	-1	0	292.339	0.575	20	30		CCEDRM
C#C[C@@H]1COCCN1S(=O)(=O)c1cc(C(=O)[O-])oc1C	ZINC000871973516	646201176	/nfs/dbraw/zinc/20/11/76/646201176.db2.gz	YSUOCRNMBQXKQI-SECBINFHSA-N	-1	0	299.304	0.309	20	30		CCEDRM
CS(=O)(=O)[N-]C(=O)CCNC(=O)c1ccoc1	ZINC000048481055	649322199	/nfs/dbraw/zinc/32/21/99/649322199.db2.gz	MTERJPIJDCLMRL-UHFFFAOYSA-N	-1	0	260.271	0.316	20	30		CCEDRM
CS(=O)(=O)[N-]C(=O)CNC(=O)Cc1cccc(F)c1	ZINC000048486842	649321971	/nfs/dbraw/zinc/32/19/71/649321971.db2.gz	FFLYAAPAQNUCHN-UHFFFAOYSA-N	-1	0	288.300	0.401	20	30		CCEDRM
CS(=O)(=O)[N-]C(=O)c1cnn(-c2ccccc2)n1	ZINC000048479896	649322059	/nfs/dbraw/zinc/32/20/59/649322059.db2.gz	FXKYTAACYUKPCD-UHFFFAOYSA-N	-1	0	266.282	0.532	20	30		CCEDRM
C[C@H](NC(=O)c1ccccc1)C(=O)[N-]S(C)(=O)=O	ZINC000048479260	649322303	/nfs/dbraw/zinc/32/23/03/649322303.db2.gz	ASFRKVPBHKYWER-QMMMGPOBSA-N	-1	0	270.310	0.721	20	30		CCEDRM
C[C@H](NC(=O)OC(C)(C)C)C(=O)[N-]S(C)(=O)=O	ZINC000048480789	649322437	/nfs/dbraw/zinc/32/24/37/649322437.db2.gz	IJPMYNOSBXOLST-LURJTMIESA-N	-1	0	266.319	0.816	20	30		CCEDRM
C=CCN(CC(=O)[O-])C(=O)c1cc(-n2cccn2)ccn1	ZINC000191261551	649470881	/nfs/dbraw/zinc/47/08/81/649470881.db2.gz	IVQAUMUKOLCRPB-UHFFFAOYSA-N	-1	0	286.291	0.980	20	30		CCEDRM
COCCNC(=O)C(C#N)=C([O-])c1ccsc1	ZINC000193416170	649537601	/nfs/dbraw/zinc/53/76/01/649537601.db2.gz	PUIXVCOXEPTFFL-VIFPVBQESA-N	-1	0	252.295	0.833	20	30		CCEDRM
N#Cc1ccc(O)c([N-]S(=O)(=O)c2cn[nH]c2)c1	ZINC000080941397	649568594	/nfs/dbraw/zinc/56/85/94/649568594.db2.gz	NVVAZXUNOYPRQE-UHFFFAOYSA-N	-1	0	264.266	0.788	20	30		CCEDRM
C=CCN(CC(=O)[O-])C(=O)NCCc1nccs1	ZINC000092468705	649724322	/nfs/dbraw/zinc/72/43/22/649724322.db2.gz	LKZYBRSQOXWYJZ-UHFFFAOYSA-N	-1	0	269.326	0.968	20	30		CCEDRM
C#CCN(CC(=O)[O-])C(=O)NC[C@H](COC)C(C)C	ZINC001588410673	958142122	/nfs/dbraw/zinc/14/21/22/958142122.db2.gz	XYDRGGMXHHTPRB-LLVKDONJSA-N	-1	0	270.329	0.634	20	30		CCEDRM
COCCn1cc([N-]S(=O)(=O)[C@@H](C)C#N)cn1	ZINC000088477118	790359629	/nfs/dbraw/zinc/35/96/29/790359629.db2.gz	ATAVKSNUIHIBJX-QMMMGPOBSA-N	-1	0	258.303	0.183	20	30		CCEDRM
N#Cc1c(Br)ccnc1N[C@@H]1CO[N-]C1=O	ZINC001167519446	791506856	/nfs/dbraw/zinc/50/68/56/791506856.db2.gz	VZSTXZMFDOBZHI-SSDOTTSWSA-N	-1	0	283.085	0.558	20	30		CCEDRM
N#CCC(=O)c1ccccc1OC(=O)[C@@H](O)CC(=O)[O-]	ZINC001233524880	806074353	/nfs/dbraw/zinc/07/43/53/806074353.db2.gz	RHSIFBMSKCXNAX-JTQLQIEISA-N	-1	0	277.232	0.524	20	30		CCEDRM
Nc1nonc1C(=Nc1cc(F)c([O-])c(F)c1)NO	ZINC001213370355	791606995	/nfs/dbraw/zinc/60/69/95/791606995.db2.gz	FEKIQHJTVKFURD-UHFFFAOYSA-N	-1	0	271.183	0.693	20	30		CCEDRM
N#CCCN1CC(Oc2n[n-]c(=O)cc2Cl)C1	ZINC001233589721	806088767	/nfs/dbraw/zinc/08/87/67/806088767.db2.gz	LGXSVZOIIWAURY-UHFFFAOYSA-N	-1	0	254.677	0.812	20	30		CCEDRM
C=C[C@H](CCCCCC)Oc1c([O-])c(=O)c(=O)c(=O)c1=O	ZINC001234378973	806235285	/nfs/dbraw/zinc/23/52/85/806235285.db2.gz	POLFUHPKDDVKPC-SECBINFHSA-N	-1	0	294.303	0.612	20	30		CCEDRM
C#C[C@@H](C)Oc1[n-]c(=O)nc2ccc(C(N)=O)cc21	ZINC001234516888	806265994	/nfs/dbraw/zinc/26/59/94/806265994.db2.gz	YZXSWNDASOJTGR-SSDOTTSWSA-N	-1	0	257.249	0.835	20	30		CCEDRM
N#Cc1ccc2nc(=O)[n-]c(OC3COCOC3)c2c1	ZINC001234530123	806267565	/nfs/dbraw/zinc/26/75/65/806267565.db2.gz	HZINIXUFXNIQBR-UHFFFAOYSA-N	-1	0	273.248	0.959	20	30		CCEDRM
C[C@@H]1[C@H](C)CN(c2[n-]c(=O)n(C)c(=O)c2C#N)[C@H]1C	ZINC001120857060	798950254	/nfs/dbraw/zinc/95/02/54/798950254.db2.gz	PIVHUNWZDAFFIS-HLTSFMKQSA-N	-1	0	262.313	0.426	20	30		CCEDRM
Cn1c(=O)[n-]c(NCC2(Br)CC2)c(C#N)c1=O	ZINC001120876603	798953615	/nfs/dbraw/zinc/95/36/15/798953615.db2.gz	HGRUAZRXXDXQEF-UHFFFAOYSA-N	-1	0	299.128	0.285	20	30		CCEDRM
C#CCOCCNC(=O)N1C[C@@H](C(=O)[O-])CC[C@@H]1C	ZINC001121816433	799073523	/nfs/dbraw/zinc/07/35/23/799073523.db2.gz	BYBIPPJWRZDZLZ-QWRGUYRKSA-N	-1	0	268.313	0.531	20	30		CCEDRM
C=CCNC(=O)C(C#N)=C([O-])c1ccc(C#N)nc1	ZINC001122496961	799250437	/nfs/dbraw/zinc/25/04/37/799250437.db2.gz	ULBAHHPAJKGYAK-NSHDSACASA-N	-1	0	254.249	0.578	20	30		CCEDRM
Cn1ncc(Cl)c1C([O-])=C(C#N)C(=O)NC1CC1	ZINC001122513074	799254234	/nfs/dbraw/zinc/25/42/34/799254234.db2.gz	PEUBPUQSUMQHJF-ZETCQYMHSA-N	-1	0	266.688	0.675	20	30		CCEDRM
C=CCCO[C@@H](C)C(=O)N1CCC[C@@H](Cc2nnn[n-]2)C1	ZINC001123915353	799503193	/nfs/dbraw/zinc/50/31/93/799503193.db2.gz	UEXUQGFFYWUEQN-RYUDHWBXSA-N	-1	0	293.371	0.962	20	30		CCEDRM
CON=CC(=O)Nc1cccc(Cc2nn[nH]n2)c1	ZINC001141843839	800040457	/nfs/dbraw/zinc/04/04/57/800040457.db2.gz	YHFVBYHQNSTPFO-UHFFFAOYSA-N	-1	0	260.257	0.361	20	30		CCEDRM
N#CC1(CNC(=O)CSc2n[nH]c(=O)[n-]2)CCC1	ZINC001142433107	800121084	/nfs/dbraw/zinc/12/10/84/800121084.db2.gz	FNTCALZHUZVAAM-UHFFFAOYSA-N	-1	0	267.314	0.412	20	30		CCEDRM
Nc1c2c(=O)nccc-2[n-]n1C(=O)C#Cc1ccccc1	ZINC001142863858	800168350	/nfs/dbraw/zinc/16/83/50/800168350.db2.gz	CNNZLSBXJDIHRW-UHFFFAOYSA-N	-1	0	278.271	0.950	20	30		CCEDRM
CCCCS(=O)(=O)C=C([O-])n1ncc(C#N)c1N	ZINC001149424337	800258611	/nfs/dbraw/zinc/25/86/11/800258611.db2.gz	BKAKSNZYYBJRFS-UHFFFAOYSA-N	-1	0	270.314	0.192	20	30		CCEDRM
Cn1cc(NC(=O)c2cc(=O)c3cc(C#N)ccc3[n-]2)nn1	ZINC001154552669	800799070	/nfs/dbraw/zinc/79/90/70/800799070.db2.gz	ZJNOJWIJQQHYEC-UHFFFAOYSA-N	-1	0	294.274	0.781	20	30		CCEDRM
N#Cc1cc(Cl)nc(C(F)(F)N[C@@H]2CO[N-]C2=O)c1	ZINC001156695017	801214537	/nfs/dbraw/zinc/21/45/37/801214537.db2.gz	KYKSHSGQSWWMSR-ZCFIWIBFSA-N	-1	0	288.641	0.676	20	30		CCEDRM
C=CCC[C@H](NC(=O)c1c[n-]ncc1=O)C(=O)OCC	ZINC001158287376	801614014	/nfs/dbraw/zinc/61/40/14/801614014.db2.gz	BAADBVANCKEONY-JTQLQIEISA-N	-1	0	279.296	0.810	20	30		CCEDRM
N#Cc1ncc([N-]c2nccnc2CN)nc1C#N	ZINC001160250801	801925040	/nfs/dbraw/zinc/92/50/40/801925040.db2.gz	QWIJTRSBCZACSA-UHFFFAOYSA-N	-1	0	252.241	0.212	20	30		CCEDRM
C=CC(C)(C)CC(=O)Nc1n[n-]c(S(C)(=O)=O)n1	ZINC001160665440	801994204	/nfs/dbraw/zinc/99/42/04/801994204.db2.gz	YBXATBPFRDWHQJ-UHFFFAOYSA-N	-1	0	272.330	0.749	20	30		CCEDRM
N#Cc1cc(Cl)nnc1NCC(=O)CCC(=O)[O-]	ZINC001160874480	802038492	/nfs/dbraw/zinc/03/84/92/802038492.db2.gz	VULTWDGBRDEKNH-UHFFFAOYSA-N	-1	0	268.660	0.847	20	30		CCEDRM
N#Cc1cnn(-c2ncccn2)c1[N-]S(=O)(=O)C1CC1	ZINC001259270947	808742643	/nfs/dbraw/zinc/74/26/43/808742643.db2.gz	UHBVCVCAXUIHPZ-UHFFFAOYSA-N	-1	0	290.308	0.438	20	30		CCEDRM
COCCS(=O)(=O)[N-]c1cc(C#N)cc(C(=O)OC)c1	ZINC001259972766	808833133	/nfs/dbraw/zinc/83/31/33/808833133.db2.gz	XFJZUTKKPIZIHW-UHFFFAOYSA-N	-1	0	298.320	0.733	20	30		CCEDRM
N#Cc1cc(N[C@H]2SC(=O)[N-]C2=O)nc(C2CC2)n1	ZINC001163664526	802586602	/nfs/dbraw/zinc/58/66/02/802586602.db2.gz	GKXOJJICTYECAG-JTQLQIEISA-N	-1	0	275.293	0.947	20	30		CCEDRM
N#Cc1ccnc(NCC[N-]C(=O)C(F)(F)F)n1	ZINC001164238283	802694145	/nfs/dbraw/zinc/69/41/45/802694145.db2.gz	QMPOWCMQLFTDTH-UHFFFAOYSA-N	-1	0	259.191	0.439	20	30		CCEDRM
N#Cc1ccc(F)c(-c2noc(-c3c[nH]c(=O)c(=O)[n-]3)n2)c1	ZINC001213925270	803706846	/nfs/dbraw/zinc/70/68/46/803706846.db2.gz	QKMPIWRYJLRQLX-UHFFFAOYSA-N	-1	0	299.221	0.791	20	30		CCEDRM
Nc1nonc1C(=Nc1c(F)cc(C(=O)[O-])cc1F)NO	ZINC001215608973	803820212	/nfs/dbraw/zinc/82/02/12/803820212.db2.gz	MAMXMGGOFZSMQK-UHFFFAOYSA-N	-1	0	299.193	0.685	20	30		CCEDRM
CO[N-]C(=O)CNC(=O)Nc1snc(C)c1C#N	ZINC001217512708	803893620	/nfs/dbraw/zinc/89/36/20/803893620.db2.gz	SWMZGMIQRLTDFM-UHFFFAOYSA-N	-1	0	269.286	0.122	20	30		CCEDRM
C#CC[C@H]1CCCN(S(=O)(=O)[C@H]2CC[C@H]2C(=O)[O-])C1	ZINC001465113019	804127599	/nfs/dbraw/zinc/12/75/99/804127599.db2.gz	QVNGQLPERCZSHS-TUAOUCFPSA-N	-1	0	285.365	0.915	20	30		CCEDRM
Cn1cc(N)nc1C(=O)Nc1cc(C#N)c(F)cc1[O-]	ZINC001219068476	804188893	/nfs/dbraw/zinc/18/88/93/804188893.db2.gz	UYZKEVKTUPFLSO-UHFFFAOYSA-N	-1	0	275.243	0.971	20	30		CCEDRM
C=CCOC[C@H](CS(=O)(=O)[O-])OCc1cnoc1	ZINC001222377281	804894837	/nfs/dbraw/zinc/89/48/37/804894837.db2.gz	JIXDFZCINBGSDG-SNVBAGLBSA-N	-1	0	277.298	0.650	20	30		CCEDRM
C=CCOC[C@@H](CS(=O)(=O)[O-])OCc1nonc1C	ZINC001223984727	805001078	/nfs/dbraw/zinc/00/10/78/805001078.db2.gz	PFGRITBCWVZJSI-VIFPVBQESA-N	-1	0	292.313	0.354	20	30		CCEDRM
C=CCCO[C@H](CN1CCOCC1)CS(=O)(=O)[O-]	ZINC001224342965	805028604	/nfs/dbraw/zinc/02/86/04/805028604.db2.gz	WPZXCFPOXSQZMB-LLVKDONJSA-N	-1	0	279.358	0.168	20	30		CCEDRM
C=CC(=O)OC[C@H](COC(=O)C(=C)C)OCC(=O)[O-]	ZINC001225022914	805101975	/nfs/dbraw/zinc/10/19/75/805101975.db2.gz	WBZUEKNQZWLHGQ-SECBINFHSA-N	-1	0	272.253	0.305	20	30		CCEDRM
N#Cc1ccc(OC(=O)[C@H](O)CC(=O)[O-])cc1F	ZINC001225352850	805123297	/nfs/dbraw/zinc/12/32/97/805123297.db2.gz	DDFIZPOJKBNIJY-SECBINFHSA-N	-1	0	253.185	0.438	20	30		CCEDRM
C=CCOC[C@H](CS(=O)(=O)[O-])Oc1cccnn1	ZINC001225659333	805149238	/nfs/dbraw/zinc/14/92/38/805149238.db2.gz	CEPNMXZOVBYJLK-SECBINFHSA-N	-1	0	274.298	0.314	20	30		CCEDRM
CN1CCO[C@@H](COc2[n-]c(=O)c(F)cc2C#N)C1	ZINC001226008576	805185575	/nfs/dbraw/zinc/18/55/75/805185575.db2.gz	JEJPFIVZYVMULZ-SECBINFHSA-N	-1	0	267.260	0.507	20	30		CCEDRM
Cc1cc(C)c(C#N)c(OC(=O)[C@H](O)CC(=O)[O-])n1	ZINC001226090449	805191992	/nfs/dbraw/zinc/19/19/92/805191992.db2.gz	IMCDUVDJEOTDOK-SECBINFHSA-N	-1	0	264.237	0.311	20	30		CCEDRM
Cc1cc(=O)[n-]c(OC[C@H]2CN(C)CCO2)c1C#N	ZINC001226222850	805207289	/nfs/dbraw/zinc/20/72/89/805207289.db2.gz	IJXLNWGEZTYRCZ-SNVBAGLBSA-N	-1	0	263.297	0.677	20	30		CCEDRM
COc1cccc(C#N)c1OC(=O)[C@H](O)CCC(=O)[O-]	ZINC001226247774	805212057	/nfs/dbraw/zinc/21/20/57/805212057.db2.gz	NJSBPDHEFIWMEZ-SECBINFHSA-N	-1	0	279.248	0.698	20	30		CCEDRM
COc1ccc(C#N)c(OC(=O)[C@H](O)CCC(=O)[O-])c1	ZINC001226791369	805282428	/nfs/dbraw/zinc/28/24/28/805282428.db2.gz	NVZCRBDZEJIFGL-SNVBAGLBSA-N	-1	0	279.248	0.698	20	30		CCEDRM
C#C[C@@H]1CCC[C@H]1Oc1[n-]c(=O)nc2c(=O)[n-]c(=O)[nH]c12	ZINC001226886841	805290449	/nfs/dbraw/zinc/29/04/49/805290449.db2.gz	UNUVKRKMELRYHR-RNFRBKRXSA-N	-1	0	288.263	0.717	20	30		CCEDRM
N#Cc1cc(Cl)ccc1OC(=O)[C@H](O)CC(=O)[O-]	ZINC001227205659	805331359	/nfs/dbraw/zinc/33/13/59/805331359.db2.gz	PPLULWUBXHUVEI-MRVPVSSYSA-N	-1	0	269.640	0.953	20	30		CCEDRM
CS(=O)(=O)CCC(=O)Nc1cc(C#N)c(F)cc1[O-]	ZINC001142532671	815075406	/nfs/dbraw/zinc/07/54/06/815075406.db2.gz	BQDDXLVJRCWOFV-UHFFFAOYSA-N	-1	0	286.284	0.776	20	30		CCEDRM
COc1cc(=O)[n-]c(O[C@@H]2C[C@@H]3[C@H]4O[C@H]4[C@H](C2)N3C)n1	ZINC001228917575	805489387	/nfs/dbraw/zinc/48/93/87/805489387.db2.gz	GJHUHKXRKUJAAP-NTBMCGCHSA-N	-1	0	279.296	0.182	20	30		CCEDRM
N#Cc1cccc(OC(=O)[C@@H](O)CC(=O)[O-])c1Cl	ZINC001229067947	805499698	/nfs/dbraw/zinc/49/96/98/805499698.db2.gz	SIVJSXGFWVSGBG-ZETCQYMHSA-N	-1	0	269.640	0.953	20	30		CCEDRM
COc1ncc(-c2cnn(CC(=O)[O-])c2)cc1C#N	ZINC001242182990	806994970	/nfs/dbraw/zinc/99/49/70/806994970.db2.gz	CVAFDJVUYTXHPU-UHFFFAOYSA-N	-1	0	258.237	0.910	20	30		CCEDRM
COC(=O)c1scc(C#N)c1[N-]S(=O)(=O)N(C)C	ZINC001251056623	807657610	/nfs/dbraw/zinc/65/76/10/807657610.db2.gz	YRKFEDGSQGFTAE-UHFFFAOYSA-N	-1	0	289.338	0.625	20	30		CCEDRM
COc1ccc(C#N)c([N-]S(=O)(=O)N(C)C)c1	ZINC001251086858	807662665	/nfs/dbraw/zinc/66/26/65/807662665.db2.gz	DPHKBBTVOWLOIY-UHFFFAOYSA-N	-1	0	255.299	0.785	20	30		CCEDRM
N#Cc1cc([N-]S(=O)(=O)C(F)(F)F)ccn1	ZINC001252283041	807802081	/nfs/dbraw/zinc/80/20/81/807802081.db2.gz	SPTCHRAZBJLEPW-UHFFFAOYSA-N	-1	0	251.189	0.637	20	30		CCEDRM
C#CCOCCOCC[N-]S(=O)(=O)CC(F)(F)F	ZINC001253234665	808039598	/nfs/dbraw/zinc/03/95/98/808039598.db2.gz	BYUDEKSWCPVTNG-UHFFFAOYSA-N	-1	0	289.275	0.135	20	30		CCEDRM
C=C[C@@H](O)CNc1ccc(OC)cc1S(=O)(=O)[O-]	ZINC001253592650	808093570	/nfs/dbraw/zinc/09/35/70/808093570.db2.gz	UVBLOWLYSUVFSU-MRVPVSSYSA-N	-1	0	273.310	0.901	20	30		CCEDRM
Cn1cnc(C#N)c1[N-]S(=O)(=O)c1ccccc1C#N	ZINC001258208107	808664047	/nfs/dbraw/zinc/66/40/47/808664047.db2.gz	IEGZSRMKIMPBJM-UHFFFAOYSA-N	-1	0	287.304	0.964	20	30		CCEDRM
C#Cc1nccnc1[N-]S(=O)(=O)c1c(C)noc1C	ZINC001258511358	808693433	/nfs/dbraw/zinc/69/34/33/808693433.db2.gz	WAWBYACPVBDDHF-UHFFFAOYSA-N	-1	0	278.293	0.864	20	30		CCEDRM
CCOC(=O)[C@H](C#N)[N-]S(=O)(=O)Cc1ccc(C)cc1	ZINC001259268376	808741612	/nfs/dbraw/zinc/74/16/12/808741612.db2.gz	JOIDCVZDUYDOLB-LBPRGKRZSA-N	-1	0	296.348	0.870	20	30		CCEDRM
Cn1ncc(C#N)c1[N-]S(=O)(=O)c1ccccn1	ZINC001259282287	808748522	/nfs/dbraw/zinc/74/85/22/808748522.db2.gz	LCHKDCNFGWLRBD-UHFFFAOYSA-N	-1	0	263.282	0.488	20	30		CCEDRM
N#Cc1ncc([N-]S(=O)(=O)c2ccccn2)cn1	ZINC001259282428	808748618	/nfs/dbraw/zinc/74/86/18/808748618.db2.gz	ZKCQACTUOWCIIM-UHFFFAOYSA-N	-1	0	261.266	0.544	20	30		CCEDRM
Cn1ccc(S(=O)(=O)[N-]c2cncc(C#N)c2)n1	ZINC001259937754	808812267	/nfs/dbraw/zinc/81/22/67/808812267.db2.gz	OUDSDQZZJBYUSL-UHFFFAOYSA-N	-1	0	263.282	0.488	20	30		CCEDRM
C[C@@H](C#N)N(C)S(=O)(=O)c1ccc(O)c(C(=O)[O-])c1	ZINC001260397667	808860141	/nfs/dbraw/zinc/86/01/41/808860141.db2.gz	DPECCIXTLLRSQF-ZETCQYMHSA-N	-1	0	284.293	0.623	20	30		CCEDRM
Cc1nc(C#N)c([N-]S(=O)(=O)c2cn(C)c(C)n2)o1	ZINC001260542913	808863023	/nfs/dbraw/zinc/86/30/23/808863023.db2.gz	VQNIHTKVZDNKMV-UHFFFAOYSA-N	-1	0	281.297	0.697	20	30		CCEDRM
Cc1oc([N-]S(=O)(=O)CS(C)(=O)=O)c(C#N)c1C	ZINC001260584153	808868406	/nfs/dbraw/zinc/86/84/06/808868406.db2.gz	VBMIWYCRGPXYAE-UHFFFAOYSA-N	-1	0	292.338	0.512	20	30		CCEDRM
Cc1ccnc(C#N)c1[N-]S(=O)(=O)CS(C)(=O)=O	ZINC001260585120	808870043	/nfs/dbraw/zinc/87/00/43/808870043.db2.gz	OZIAXKMPCSNMPT-UHFFFAOYSA-N	-1	0	289.338	0.006	20	30		CCEDRM
Cc1n[nH]c(C)c1S(=O)(=O)[N-]c1ncc(C#N)nc1C	ZINC001261024405	808899701	/nfs/dbraw/zinc/89/97/01/808899701.db2.gz	WPXYKNGWEVODEA-UHFFFAOYSA-N	-1	0	292.324	0.797	20	30		CCEDRM
C=CC[C@@H](NC(=O)C[C@H](C)n1ccnc1)C(=O)[O-]	ZINC001261514895	809005228	/nfs/dbraw/zinc/00/52/28/809005228.db2.gz	QSIWGICVRXYQMM-VHSXEESVSA-N	-1	0	251.286	0.980	20	30		CCEDRM
CCC1=C(OCCS(=O)(=O)[O-])C(=O)[C@@H](C)O1	ZINC001224568117	815271157	/nfs/dbraw/zinc/27/11/57/815271157.db2.gz	DLEFNXWEDWXSIA-ZCFIWIBFSA-N	-1	0	250.272	0.500	20	30		CCEDRM
C=C[C@@H](COC)NS(=O)(=O)c1cc(C(=O)[O-])n(C)c1	ZINC001262496548	809321258	/nfs/dbraw/zinc/32/12/58/809321258.db2.gz	HPEFCPNBKUYGPP-QMMMGPOBSA-N	-1	0	288.325	0.203	20	30		CCEDRM
Cn1c(=O)[n-]c(S[C@@H]2CCCOC2)c(C#N)c1=O	ZINC001262689770	809396185	/nfs/dbraw/zinc/39/61/85/809396185.db2.gz	JPNQKFDPZPXHQT-SSDOTTSWSA-N	-1	0	267.310	0.216	20	30		CCEDRM
C#CC[C@H]1CCN(C(=O)NCC2(C(=O)[O-])CCOCC2)C1	ZINC001263064288	809430766	/nfs/dbraw/zinc/43/07/66/809430766.db2.gz	WKTAVNYGXXREQB-LBPRGKRZSA-N	-1	0	294.351	0.923	20	30		CCEDRM
CNC(=O)C(C#N)=C([O-])c1ccc2oc(=O)[nH]c2c1	ZINC001263293914	809504482	/nfs/dbraw/zinc/50/44/82/809504482.db2.gz	FGADHWSHGFKUNI-SSDOTTSWSA-N	-1	0	259.221	0.602	20	30		CCEDRM
Cc1[nH]nc(C(=O)N2CCCC[C@H]2CN(C)CC#N)c1[O-]	ZINC001264180406	809635600	/nfs/dbraw/zinc/63/56/00/809635600.db2.gz	CKWQJCGCXMOHBM-NSHDSACASA-N	-1	0	291.355	0.874	20	30		CCEDRM
C=CCOC[C@H](CS(=O)(=O)[O-])OCc1cccnn1	ZINC001222997375	812062941	/nfs/dbraw/zinc/06/29/41/812062941.db2.gz	ULJTVACRAZLEDF-LLVKDONJSA-N	-1	0	288.325	0.452	20	30		CCEDRM
COc1cccc(S([O-])=CC(=O)NCCC#N)c1	ZINC000424842379	812219152	/nfs/dbraw/zinc/21/91/52/812219152.db2.gz	AXEBVRFENJMDPB-GOSISDBHSA-N	-1	0	266.322	0.833	20	30		CCEDRM
Cc1n[nH]c(C(=O)NC[C@@H](NCC#N)C(C)C)c1[O-]	ZINC001271830414	814601074	/nfs/dbraw/zinc/60/10/74/814601074.db2.gz	QPVMKENZBZWCKN-SECBINFHSA-N	-1	0	265.317	0.291	20	30		CCEDRM
C#CCC[N@H+]1CC[C@H](NC(=O)c2[nH]nc(C)c2[O-])[C@H]1C	ZINC001088524011	814851249	/nfs/dbraw/zinc/85/12/49/814851249.db2.gz	AODICEBBBSIFKY-MNOVXSKESA-N	-1	0	276.340	0.640	20	30		CCEDRM
C=CCCSCCNC(=O)c1cn(CC(=O)[O-])nn1	ZINC000696090049	815968334	/nfs/dbraw/zinc/96/83/34/815968334.db2.gz	BENHVGQPRYFABB-UHFFFAOYSA-N	-1	0	284.341	0.402	20	30		CCEDRM
CC(=O)NCC(=O)Nc1cc(C#N)c(F)cc1[O-]	ZINC001142806742	817774359	/nfs/dbraw/zinc/77/43/59/817774359.db2.gz	UMQJCGWHRORHGA-UHFFFAOYSA-N	-1	0	251.217	0.478	20	30		CCEDRM
CNC(=O)C(C#N)=C([O-])c1ccc(C)c([N+](=O)[O-])c1	ZINC000133244274	818232246	/nfs/dbraw/zinc/23/22/46/818232246.db2.gz	IXGCGAXZJNIBME-VIFPVBQESA-N	-1	0	261.237	0.972	20	30		CCEDRM
CC#CCN1CC[C@@H](N(CC)C(=O)c2n[nH]c(C)c2[O-])C1	ZINC001033794797	818942880	/nfs/dbraw/zinc/94/28/80/818942880.db2.gz	HLUYVRDCDCVFTG-GFCCVEGCSA-N	-1	0	290.367	0.983	20	30		CCEDRM
C=CC(C)(C)CCNC(=O)c1cn(CC(=O)[O-])nn1	ZINC000701906578	819027577	/nfs/dbraw/zinc/02/75/77/819027577.db2.gz	UINJXZDKTGLBDB-UHFFFAOYSA-N	-1	0	266.301	0.695	20	30		CCEDRM
C=CCC[C@@H](NC(=O)NCc1ncccn1)C(=O)[O-]	ZINC000702397002	819109007	/nfs/dbraw/zinc/10/90/07/819109007.db2.gz	JULDDDCMYMXYLJ-SECBINFHSA-N	-1	0	264.285	0.695	20	30		CCEDRM
C#CC[C@@H](NC(=O)[C@@H]1CC12CCOCC2)C(=O)[O-]	ZINC000709667883	819795075	/nfs/dbraw/zinc/79/50/75/819795075.db2.gz	QBXBCYCPFGPNCM-VHSXEESVSA-N	-1	0	251.282	0.396	20	30		CCEDRM
C#CC[C@@H](NC(=O)[C@H]1CCCN1C(=O)CCC)C(=O)[O-]	ZINC000822751936	821493659	/nfs/dbraw/zinc/49/36/59/821493659.db2.gz	USQJQHCXRQCUTG-GHMZBOCLSA-N	-1	0	280.324	0.370	20	30		CCEDRM
O=C([O-])CNN=Cc1cc(O)c(O)c(Br)c1	ZINC000378766667	821594942	/nfs/dbraw/zinc/59/49/42/821594942.db2.gz	YKOAKULZFTVMHX-UHFFFAOYSA-N	-1	0	289.085	0.868	20	30		CCEDRM
O=C([O-])CNN=Cc1cncc(Br)c1	ZINC000378755068	821595158	/nfs/dbraw/zinc/59/51/58/821595158.db2.gz	XNLICGMLOWXZFI-UHFFFAOYSA-N	-1	0	258.075	0.852	20	30		CCEDRM
N#CC1(CS(=O)(=O)[N-]C(=O)CCOCC2CC2)CC1	ZINC000793197057	837402562	/nfs/dbraw/zinc/40/25/62/837402562.db2.gz	ZTICRUZHSOUSNE-UHFFFAOYSA-N	-1	0	286.353	0.553	20	30		CCEDRM
C[C@@H](CNc1ccc(C#N)cn1)NC(=O)c1cnc[nH]c1=O	ZINC001108586946	836480864	/nfs/dbraw/zinc/48/08/64/836480864.db2.gz	IIZHXRQDERXJOR-VIFPVBQESA-N	-1	0	298.306	0.679	20	30		CCEDRM
N#Cc1cnc2cnc(Cl)cc2c1N[C@@H]1CO[N-]C1=O	ZINC001156690500	836673904	/nfs/dbraw/zinc/67/39/04/836673904.db2.gz	ABEIBTFFXMJKFR-SECBINFHSA-N	-1	0	289.682	0.419	20	30		CCEDRM
CCOC(=O)c1cccc([N+](=O)[O-])c1[N-][C@H](C#N)C(N)=O	ZINC001170536614	837986544	/nfs/dbraw/zinc/98/65/44/837986544.db2.gz	PCMOHMHDTDEOFU-MRVPVSSYSA-N	-1	0	292.251	0.561	20	30		CCEDRM
N#C[C@H](Nc1ccc(Br)cc1C(=O)[O-])C(N)=O	ZINC001170539126	837997839	/nfs/dbraw/zinc/99/78/39/837997839.db2.gz	MTEDPGJFCJLBCT-QMMMGPOBSA-N	-1	0	298.096	0.937	20	30		CCEDRM
C#CCCS(=O)(=O)[N-]C(=O)c1scnc1Cl	ZINC000810782622	838402514	/nfs/dbraw/zinc/40/25/14/838402514.db2.gz	PZMGXHCOSZNROP-UHFFFAOYSA-N	-1	0	278.742	0.879	20	30		CCEDRM
CSc1ncc([O-])c(C(=O)Nc2cnc(C#N)cn2)n1	ZINC001185161397	844350387	/nfs/dbraw/zinc/35/03/87/844350387.db2.gz	OUWMEXQEDFNYTF-UHFFFAOYSA-N	-1	0	288.292	0.818	20	30		CCEDRM
CSc1ncc([O-])c(C(=O)Nc2c[nH]nc2C#N)n1	ZINC001185166812	844353362	/nfs/dbraw/zinc/35/33/62/844353362.db2.gz	IXMQWIGTRFNHER-UHFFFAOYSA-N	-1	0	276.281	0.751	20	30		CCEDRM
N#CC1(NC(=O)CCCn2c(=O)[n-][nH]c2=O)CCC1	ZINC001136426557	839618429	/nfs/dbraw/zinc/61/84/29/839618429.db2.gz	DXFDSCVUCOJOLW-UHFFFAOYSA-N	-1	0	265.273	0.032	20	30		CCEDRM
N#CCCCCNC(=O)CSc1n[nH]c(=O)[n-]1	ZINC001144797231	840144440	/nfs/dbraw/zinc/14/44/40/840144440.db2.gz	RPBDKRIXBLQZEI-UHFFFAOYSA-N	-1	0	255.303	0.412	20	30		CCEDRM
N#Cc1ccc([N+](=O)[O-])c(NCC(=O)CCC(=O)[O-])n1	ZINC001160874258	840244245	/nfs/dbraw/zinc/24/42/45/840244245.db2.gz	PXZRDCDEDWFMEC-UHFFFAOYSA-N	-1	0	278.224	0.707	20	30		CCEDRM
N#Cc1c(Cl)ncnc1NCC(=O)CCC(=O)[O-]	ZINC001160874296	840244996	/nfs/dbraw/zinc/24/49/96/840244996.db2.gz	RQJCTGUQGJBSKF-UHFFFAOYSA-N	-1	0	268.660	0.847	20	30		CCEDRM
C[C@H](NC(=O)Cn1nn[n-]c1=S)c1cccc(C#N)c1	ZINC001177744463	842666264	/nfs/dbraw/zinc/66/62/64/842666264.db2.gz	XFASFLARJSJAAB-QMMMGPOBSA-N	-1	0	288.336	0.711	20	30		CCEDRM
Cc1n[nH]c(C(=O)NCCCCCCNCC#N)c1[O-]	ZINC001178210670	842791459	/nfs/dbraw/zinc/79/14/59/842791459.db2.gz	YTKSGQCISSEBFO-UHFFFAOYSA-N	-1	0	279.344	0.827	20	30		CCEDRM
C[C@H](C#N)N(C)C(=O)C(F)(F)C(F)(F)C(=O)[O-]	ZINC001180173598	843108950	/nfs/dbraw/zinc/10/89/50/843108950.db2.gz	KFCWYPPGRKMQAY-SCSAIBSYSA-N	-1	0	256.155	0.712	20	30		CCEDRM
C[C@@H](C(=O)N[C@@H]1CO[N-]C1=O)c1ccc(C#N)cc1	ZINC001182801129	843916793	/nfs/dbraw/zinc/91/67/93/843916793.db2.gz	XNOPBTUMJRYYBY-LDYMZIIASA-N	-1	0	259.265	0.208	20	30		CCEDRM
CS(=O)(=O)N1CC(C(=O)Nc2ccc(C#N)cc2O)C1	ZINC001183023849	843957799	/nfs/dbraw/zinc/95/77/99/843957799.db2.gz	JJDXWWHWGGKEFP-UHFFFAOYSA-N	-1	0	295.320	0.094	20	30		CCEDRM
Cc1nc([N-]S(=O)(=O)c2c[nH]cn2)c(C#N)cc1C#N	ZINC001187731817	844745320	/nfs/dbraw/zinc/74/53/20/844745320.db2.gz	QLMWKMLTZHVZDD-UHFFFAOYSA-N	-1	0	288.292	0.657	20	30		CCEDRM
N#Cc1ccnnc1[N-]S(=O)(=O)c1nccs1	ZINC001187861270	844785629	/nfs/dbraw/zinc/78/56/29/844785629.db2.gz	SMCGTDPRLUNDRQ-UHFFFAOYSA-N	-1	0	267.295	0.606	20	30		CCEDRM
COc1ncnc([N-]S(=O)(=O)c2nccs2)c1C#N	ZINC001187861831	844785706	/nfs/dbraw/zinc/78/57/06/844785706.db2.gz	ACGPKNADFRVCBO-UHFFFAOYSA-N	-1	0	297.321	0.614	20	30		CCEDRM
COc1ncnc([N-]S(=O)(=O)C2CCC2)c1C#N	ZINC001188109939	844832104	/nfs/dbraw/zinc/83/21/04/844832104.db2.gz	ATFYRDSMAGHKLU-UHFFFAOYSA-N	-1	0	268.298	0.651	20	30		CCEDRM
COC(=O)n1ncc(C#N)c1[N-]S(=O)(=O)c1ccoc1	ZINC001188630175	844940081	/nfs/dbraw/zinc/94/00/81/844940081.db2.gz	BPJIFYGWLUEEIM-UHFFFAOYSA-N	-1	0	296.264	0.763	20	30		CCEDRM
COc1ccc(C#N)c(C(=O)NCc2n[nH]c(=O)[n-]2)c1	ZINC001189097371	845049958	/nfs/dbraw/zinc/04/99/58/845049958.db2.gz	UEPKXVVEUVQVHF-UHFFFAOYSA-N	-1	0	273.252	0.321	20	30		CCEDRM
CC(C)(CO)CNS(=O)(=O)c1cc(C#N)ccc1F	ZINC001190608296	845443189	/nfs/dbraw/zinc/44/31/89/845443189.db2.gz	NWUPNNRBIMRNGK-UHFFFAOYSA-N	-1	0	286.328	0.994	20	30		CCEDRM
C=C[C@@H](CO)NC(=O)c1cnc(-c2ccccn2)nc1O	ZINC001190629909	845449926	/nfs/dbraw/zinc/44/99/26/845449926.db2.gz	ZWJFVBOQEGXNEW-VIFPVBQESA-N	-1	0	286.291	0.521	20	30		CCEDRM
N#C[C@H]1CCCN(S(=O)(=O)c2ncc[n-]2)CC1	ZINC001190707934	845459131	/nfs/dbraw/zinc/45/91/31/845459131.db2.gz	SITRLIKAIRGXOE-VIFPVBQESA-N	-1	0	254.315	0.724	20	30		CCEDRM
Cc1noc([N-]S(=O)(=O)c2ncc[nH]2)c1C#N	ZINC001190682032	845464599	/nfs/dbraw/zinc/46/45/99/845464599.db2.gz	SCZAZTUPBXUOBE-UHFFFAOYSA-N	-1	0	253.243	0.379	20	30		CCEDRM
N#Cc1cc([N-]S(=O)(=O)c2ncc[nH]2)c(O)cc1F	ZINC001190730846	845481206	/nfs/dbraw/zinc/48/12/06/845481206.db2.gz	LNPULLGUQZNMPH-UHFFFAOYSA-N	-1	0	282.256	0.927	20	30		CCEDRM
N#C[C@H]1CNCCN1C(=O)c1cc(F)c([O-])cc1F	ZINC001192860466	845923960	/nfs/dbraw/zinc/92/39/60/845923960.db2.gz	UOMXWRTUBLMJAP-ZETCQYMHSA-N	-1	0	267.235	0.608	20	30		CCEDRM
Cn1cnc2c1nc(Cl)nc2[N-]S(=O)(=O)CC#N	ZINC001192951855	845933870	/nfs/dbraw/zinc/93/38/70/845933870.db2.gz	RWWXYTNMJPGICG-UHFFFAOYSA-N	-1	0	286.704	0.282	20	30		CCEDRM
CCOC(=O)c1cnoc1[N-]S(=O)(=O)CC#N	ZINC001192935028	845940812	/nfs/dbraw/zinc/94/08/12/845940812.db2.gz	HJALPUNPOCDBTR-UHFFFAOYSA-N	-1	0	259.243	0.117	20	30		CCEDRM
N#CCS(=O)(=O)[N-]c1ccc2c(c1)COC2=O	ZINC001192972446	845958272	/nfs/dbraw/zinc/95/82/72/845958272.db2.gz	ZGYNVXAKJGLTEU-UHFFFAOYSA-N	-1	0	252.251	0.622	20	30		CCEDRM
COC(=O)c1cc([N-]S(=O)(=O)CC#N)ccc1F	ZINC001192978903	845961041	/nfs/dbraw/zinc/96/10/41/845961041.db2.gz	MULMMWKEGOWCPZ-UHFFFAOYSA-N	-1	0	272.257	0.878	20	30		CCEDRM
COCCOc1cnc([N-]S(=O)(=O)[C@@H](C)C#N)cn1	ZINC001193103754	845976776	/nfs/dbraw/zinc/97/67/76/845976776.db2.gz	AWRWAIBFPVUSCP-QMMMGPOBSA-N	-1	0	286.313	0.156	20	30		CCEDRM
C[C@H](C#N)S(=O)(=O)[N-]c1sc2c(c1C(N)=O)CCC2	ZINC001193104523	845978268	/nfs/dbraw/zinc/97/82/68/845978268.db2.gz	KDFASTZDQWYIGS-ZCFIWIBFSA-N	-1	0	299.377	0.989	20	30		CCEDRM
CNC(=O)c1ccc([N-]S(=O)(=O)[C@@H](C)C#N)cc1F	ZINC001193148776	846005312	/nfs/dbraw/zinc/00/53/12/846005312.db2.gz	DZODTIGLKHBHQT-ZETCQYMHSA-N	-1	0	285.300	0.839	20	30		CCEDRM
COC(=O)[C@H](COC(C)(C)C)[N-]S(=O)(=O)[C@@H](C)C#N	ZINC001193168509	846011004	/nfs/dbraw/zinc/01/10/04/846011004.db2.gz	CMOVNFUQUNTNTA-IUCAKERBSA-N	-1	0	292.357	0.175	20	30		CCEDRM
N#Cc1ncccc1[N-]S(=O)(=O)C[C@@H]1CCCO1	ZINC001193205701	846018640	/nfs/dbraw/zinc/01/86/40/846018640.db2.gz	MBKOCMQKWHHPFE-VIFPVBQESA-N	-1	0	267.310	0.874	20	30		CCEDRM
N#Cc1cncc([N-]S(=O)(=O)C[C@H]2CCCO2)n1	ZINC001193206112	846019645	/nfs/dbraw/zinc/01/96/45/846019645.db2.gz	QAKOBFJFUBMPFK-SECBINFHSA-N	-1	0	268.298	0.269	20	30		CCEDRM
C=C[C@H]1C[C@]1(NC(=O)c1cc(=O)[nH][n-]1)C(=O)OCC	ZINC001193476227	846088820	/nfs/dbraw/zinc/08/88/20/846088820.db2.gz	WHONYXPMPBANSE-JVXZTZIISA-N	-1	0	265.269	0.353	20	30		CCEDRM
N#Cc1c(N)nn(C(=O)c2ccc([O-])c(C#N)c2)c1N	ZINC001193499428	846093398	/nfs/dbraw/zinc/09/33/98/846093398.db2.gz	RCTONKLYRZUJOD-UHFFFAOYSA-N	-1	0	268.236	0.185	20	30		CCEDRM
COCCN1CCN(C(=O)c2ccc([O-])c(C#N)c2)CC1	ZINC001193505093	846101212	/nfs/dbraw/zinc/10/12/12/846101212.db2.gz	CQVZBLPGEASWKZ-UHFFFAOYSA-N	-1	0	289.335	0.668	20	30		CCEDRM
Cn1ccnc1S(=O)(=O)[N-]c1oncc1C#N	ZINC001193557258	846117997	/nfs/dbraw/zinc/11/79/97/846117997.db2.gz	MXHMNMCSHHEZFP-UHFFFAOYSA-N	-1	0	253.243	0.081	20	30		CCEDRM
CC(C)n1ncc(C#N)c1[N-]S(=O)(=O)c1nccn1C	ZINC001193561651	846120009	/nfs/dbraw/zinc/12/00/09/846120009.db2.gz	LUJAEROSUULPRA-UHFFFAOYSA-N	-1	0	294.340	0.870	20	30		CCEDRM
CC(=O)N1C[C@@H]2C[C@]2(NC(=O)c2cccc(C#N)c2[O-])C1	ZINC001193658091	846139513	/nfs/dbraw/zinc/13/95/13/846139513.db2.gz	SFRIUNWTWIIEDX-NHYWBVRUSA-N	-1	0	285.303	0.614	20	30		CCEDRM
CCOC(=O)[C@@H](C#N)NC(=O)c1cccc(C#N)c1[O-]	ZINC001193657851	846140259	/nfs/dbraw/zinc/14/02/59/846140259.db2.gz	IUIZSJZHYMIJAZ-SNVBAGLBSA-N	-1	0	273.248	0.449	20	30		CCEDRM
N#Cc1cccc(C(=O)N[C@@H]2CCCNC(=O)C2)c1[O-]	ZINC001193659245	846140606	/nfs/dbraw/zinc/14/06/06/846140606.db2.gz	KGPUCDGUSHZWOW-SNVBAGLBSA-N	-1	0	273.292	0.662	20	30		CCEDRM
CCOC(=O)[C@@H](C#N)NC(=O)c1ccc(F)c([O-])c1F	ZINC001193792830	846153310	/nfs/dbraw/zinc/15/33/10/846153310.db2.gz	FYLANQHSOZLNQT-MRVPVSSYSA-N	-1	0	284.218	0.855	20	30		CCEDRM
N#Cc1cncc(C(=O)n2[n-]c3ccnc(=O)c-3c2N)c1	ZINC001194121917	846216928	/nfs/dbraw/zinc/21/69/28/846216928.db2.gz	WOATYMHUFWDFAU-UHFFFAOYSA-N	-1	0	280.247	0.214	20	30		CCEDRM
N#Cc1cnc([N-]S(=O)(=O)C2CCC(=O)CC2)cn1	ZINC001194750062	846371326	/nfs/dbraw/zinc/37/13/26/846371326.db2.gz	TWKYCHZJLZJLAN-UHFFFAOYSA-N	-1	0	280.309	0.602	20	30		CCEDRM
C#Cc1cc([N-]S(=O)(=O)c2ccc(OC)nc2)ccn1	ZINC001195682053	846598262	/nfs/dbraw/zinc/59/82/62/846598262.db2.gz	BLCCBSVUUGCRTE-UHFFFAOYSA-N	-1	0	289.316	0.689	20	30		CCEDRM
COc1ccc(CNC(=O)c2ccc(C#N)cc2[O-])nn1	ZINC001195764325	846613688	/nfs/dbraw/zinc/61/36/88/846613688.db2.gz	JWPQJCVXOKCLFM-UHFFFAOYSA-N	-1	0	284.275	0.992	20	30		CCEDRM
N#Cc1ccnnc1[N-]S(=O)(=O)c1ccc(O)cc1	ZINC001195766930	846615788	/nfs/dbraw/zinc/61/57/88/846615788.db2.gz	CEFHMUXBIIVCDQ-UHFFFAOYSA-N	-1	0	276.277	0.855	20	30		CCEDRM
COC(=O)[C@@H]1C[C@H](F)CN1C(=O)c1ccc(C#N)cc1[O-]	ZINC001195741659	846619484	/nfs/dbraw/zinc/61/94/84/846619484.db2.gz	VVDSUDISDSGASD-ONGXEEELSA-N	-1	0	292.266	0.989	20	30		CCEDRM
Cc1ncc(S(=O)(=O)[N-]c2cnc(C#N)nc2)n1C	ZINC001198355851	847102652	/nfs/dbraw/zinc/10/26/52/847102652.db2.gz	GXPBMAPQBAOBTH-UHFFFAOYSA-N	-1	0	278.297	0.191	20	30		CCEDRM
CC[C@@H](C#N)NS(=O)(=O)c1ccccc1C(=O)[O-]	ZINC001198808146	847177739	/nfs/dbraw/zinc/17/77/39/847177739.db2.gz	RLGZOBXGKOAOBU-QMMMGPOBSA-N	-1	0	268.294	0.965	20	30		CCEDRM
CCOC(=O)c1cnc(NC(=O)c2cnc(C#N)cn2)[n-]1	ZINC001199661875	847387798	/nfs/dbraw/zinc/38/77/98/847387798.db2.gz	LSPPNROOTMEJQT-UHFFFAOYSA-N	-1	0	286.251	0.500	20	30		CCEDRM
Nc1nonc1C(=Nc1cc([O-])cc([N+](=O)[O-])c1)NO	ZINC001199801722	847437615	/nfs/dbraw/zinc/43/76/15/847437615.db2.gz	HUJXZYVOSIARJG-UHFFFAOYSA-N	-1	0	280.200	0.323	20	30		CCEDRM
N#Cc1cc(C(=O)N2C[C@H]3C[C@@]3(C(N)=O)C2)ccc1[O-]	ZINC001276156354	848942017	/nfs/dbraw/zinc/94/20/17/848942017.db2.gz	RHHXVXJOBRYLPF-QMTHXVAHSA-N	-1	0	271.276	0.211	20	30		CCEDRM
C#CCN1CC[C@@](C)(NC(=O)c2[nH]nc(C)c2[O-])C1	ZINC001046245860	851436873	/nfs/dbraw/zinc/43/68/73/851436873.db2.gz	FKCBCNSRJCSSHJ-CYBMUJFWSA-N	-1	0	262.313	0.251	20	30		CCEDRM
C#CC[C@H](NC(=O)CCCNC(=O)C(C)(C)C)C(=O)[O-]	ZINC000149711216	853994009	/nfs/dbraw/zinc/99/40/09/853994009.db2.gz	BZGVHVUYSCXIKU-JTQLQIEISA-N	-1	0	282.340	0.522	20	30		CCEDRM
C#CC[C@H](NC(=O)Cc1ccc(OC)c(OC)c1)C(=O)[O-]	ZINC000149667463	853994912	/nfs/dbraw/zinc/99/49/12/853994912.db2.gz	NSIFQFJTHYYDJT-NSHDSACASA-N	-1	0	291.303	0.839	20	30		CCEDRM
C#CC[C@H](NC(=O)c1cc(OC)cc(OC)c1)C(=O)[O-]	ZINC000149829542	853999894	/nfs/dbraw/zinc/99/98/94/853999894.db2.gz	GHTIDOSHKKWBMF-LBPRGKRZSA-N	-1	0	277.276	0.910	20	30		CCEDRM
C#CC[C@@H](NC(=O)CCc1ccccc1O)C(=O)[O-]	ZINC000149859783	854004238	/nfs/dbraw/zinc/00/42/38/854004238.db2.gz	YSQYKWFICYLLJR-LLVKDONJSA-N	-1	0	261.277	0.918	20	30		CCEDRM
C#CC[C@H](NC(=O)[C@@H]1CCCN(C(=O)C2CC2)C1)C(=O)[O-]	ZINC000149964049	854010009	/nfs/dbraw/zinc/01/00/09/854010009.db2.gz	GMTBOBPXROQPRA-NEPJUHHUSA-N	-1	0	292.335	0.228	20	30		CCEDRM
CC(C)(C)S(=O)(=O)[N-]C(=O)CSCC#N	ZINC001117719629	856058756	/nfs/dbraw/zinc/05/87/56/856058756.db2.gz	WCPXQQKCLGHXLU-UHFFFAOYSA-N	-1	0	250.345	0.488	20	30		CCEDRM
N#CCCCCNC(=O)C[C@]1(C(=O)[O-])CCOC1	ZINC001118419651	856293709	/nfs/dbraw/zinc/29/37/09/856293709.db2.gz	DDWOFOMUJQYLDX-GFCCVEGCSA-N	-1	0	254.286	0.678	20	30		CCEDRM
C=CCO[C@@H]1CCN(C(=O)[C@H]2CC[C@@H](C(=O)[O-])O2)C1	ZINC001119008309	856528244	/nfs/dbraw/zinc/52/82/44/856528244.db2.gz	NYEODNHNGLJDFH-MXWKQRLJSA-N	-1	0	269.297	0.422	20	30		CCEDRM
N#C[C@]1(C(=O)[N-]OC[C@@H]2CCOC2)CCCOC1	ZINC001119255135	856600575	/nfs/dbraw/zinc/60/05/75/856600575.db2.gz	QMAUCSXUFTVVAG-ZYHUDNBSSA-N	-1	0	254.286	0.391	20	30		CCEDRM
Cc1nnc([S-])n(N=Cc2cc(F)ncc2F)c1=O	ZINC001323619206	912449529	/nfs/dbraw/zinc/44/95/29/912449529.db2.gz	TZIKHLQHVBHADP-UHFFFAOYSA-N	-1	0	283.263	0.791	20	30		CCEDRM
C#CCC(C)(C)C(=O)[N-]S(=O)(=O)C1CCOCC1	ZINC001324186818	912711355	/nfs/dbraw/zinc/71/13/55/912711355.db2.gz	OOHKNPBKSRRJEF-UHFFFAOYSA-N	-1	0	273.354	0.661	20	30		CCEDRM
C#CCO[N-]C(=O)Cn1cc(C(F)(F)F)ccc1=O	ZINC001324270244	912750281	/nfs/dbraw/zinc/75/02/81/912750281.db2.gz	OTJNCUHXJHVSDU-UHFFFAOYSA-N	-1	0	274.198	0.548	20	30		CCEDRM
C[C@H](O)c1ncc(C=Nn2c(=O)[n-][nH]c2=O)s1	ZINC001324881684	913081356	/nfs/dbraw/zinc/08/13/56/913081356.db2.gz	BAKRLUZAZTUJCY-BYPYZUCNSA-N	-1	0	255.259	0.081	20	30		CCEDRM
CC#CCS(=O)(=O)[N-]C(=O)[C@@H]1CCC[C@H](F)C1	ZINC001345658727	891455402	/nfs/dbraw/zinc/45/54/02/891455402.db2.gz	ZBKSDXONULYIJL-ZJUUUORDSA-N	-1	0	261.318	0.984	20	30		CCEDRM
CC#CCCCC(=O)NCCN(CC)Cc1n[nH]c(=O)[n-]1	ZINC001480994490	892031348	/nfs/dbraw/zinc/03/13/48/892031348.db2.gz	JWTSVMBVOOZLNA-UHFFFAOYSA-N	-1	0	293.371	0.642	20	30		CCEDRM
CC(C)C#CC(=O)NC[C@@H]1CCCN1Cc1n[nH]c(=O)[n-]1	ZINC001481039380	892104536	/nfs/dbraw/zinc/10/45/36/892104536.db2.gz	JCTPAXHWCLMWFQ-NSHDSACASA-N	-1	0	291.355	0.250	20	30		CCEDRM
CCCO[N-]C(=O)C(=O)Nc1ccn(CCC#N)n1	ZINC001326048944	913720245	/nfs/dbraw/zinc/72/02/45/913720245.db2.gz	KHELBQUZAVXZJH-UHFFFAOYSA-N	-1	0	265.273	0.193	20	30		CCEDRM
C[C@@H](NC(=O)Cn1cc(C#N)c(=O)[n-]c1=O)c1cccnc1	ZINC001411611485	901156928	/nfs/dbraw/zinc/15/69/28/901156928.db2.gz	HQFLCRPRMJOJLT-SECBINFHSA-N	-1	0	299.290	0.093	20	30		CCEDRM
N#CC[C@@H](C(=O)NCc1nc(=O)o[n-]1)c1ccccc1	ZINC001411948830	901350736	/nfs/dbraw/zinc/35/07/36/901350736.db2.gz	HWCVVCKBGDVMIC-SNVBAGLBSA-N	-1	0	272.264	0.677	20	30		CCEDRM
C=C(C)CO[N-]C(=O)Cn1ccc(=O)c([N+](=O)[O-])c1	ZINC001327427653	914534834	/nfs/dbraw/zinc/53/48/34/914534834.db2.gz	POYFXFYNUKVYHI-UHFFFAOYSA-N	-1	0	267.241	0.380	20	30		CCEDRM
N#CC1(CC(=O)NCc2nc([O-])cc(=O)[nH]2)CCOCC1	ZINC001412377254	901675105	/nfs/dbraw/zinc/67/51/05/901675105.db2.gz	RAKRXPGKTDMXKM-UHFFFAOYSA-N	-1	0	292.295	0.214	20	30		CCEDRM
N#Cc1cccc(C(=O)N2CC3(C[C@H]3C(N)=O)C2)c1[O-]	ZINC001276215591	901970500	/nfs/dbraw/zinc/97/05/00/901970500.db2.gz	MYQKBMWOVQDRRK-JTQLQIEISA-N	-1	0	271.276	0.211	20	30		CCEDRM
N#Cc1nc(NC(=O)Cc2cn3c(n2)CCCC3)[n-]c1C#N	ZINC001413191593	902772535	/nfs/dbraw/zinc/77/25/35/902772535.db2.gz	FEOMBISPLHNQCG-UHFFFAOYSA-N	-1	0	295.306	0.867	20	30		CCEDRM
N#CC1(CNC(=O)CCCn2c(=O)[n-][nH]c2=O)CCCC1	ZINC001413228836	902799724	/nfs/dbraw/zinc/79/97/24/902799724.db2.gz	OAAUWGYJCONJMS-UHFFFAOYSA-N	-1	0	293.327	0.670	20	30		CCEDRM
COC[C@@H]1CCCN1NC(=O)c1[n-]c(=O)c(C#N)cc1C	ZINC001413284186	902845980	/nfs/dbraw/zinc/84/59/80/902845980.db2.gz	DYJFEZAKFDPVRP-NSHDSACASA-N	-1	0	290.323	0.723	20	30		CCEDRM
Cc1nc(C=Nn2c(=O)c(C)n[n-]c2=S)[nH]c1C	ZINC001327633245	914666255	/nfs/dbraw/zinc/66/62/55/914666255.db2.gz	VVKRHVFYJWACQX-UHFFFAOYSA-N	-1	0	264.314	0.458	20	30		CCEDRM
C[C@@H](NC(=O)Cn1cc(C#N)c(=O)[n-]c1=O)C1(C)CC1	ZINC001413745405	903228373	/nfs/dbraw/zinc/22/83/73/903228373.db2.gz	JRQYZAKEFAPWLC-MRVPVSSYSA-N	-1	0	276.296	0.125	20	30		CCEDRM
C=CC1(S(=O)(=O)[N-]C(=O)c2cncnc2C)CC1	ZINC001332234282	904086939	/nfs/dbraw/zinc/08/69/39/904086939.db2.gz	VFMVOPIVYJVXQT-UHFFFAOYSA-N	-1	0	267.310	0.563	20	30		CCEDRM
C=CCOC[C@@H](NCc1cc2n(n1)CCC2)C(=O)[O-]	ZINC001334777096	906370596	/nfs/dbraw/zinc/37/05/96/906370596.db2.gz	PIWMWCDNDJYGLJ-GFCCVEGCSA-N	-1	0	265.313	0.575	20	30		CCEDRM
Cc1cc(C#N)c(=O)[n-]c1C(=O)NC[C@H](C)CCO	ZINC001294653349	906609712	/nfs/dbraw/zinc/60/97/12/906609712.db2.gz	YWOQGJSBXXLCQD-MRVPVSSYSA-N	-1	0	263.297	0.716	20	30		CCEDRM
N#Cc1c2ccccc2[nH]c1C(=O)NCc1nc(=O)o[n-]1	ZINC001295429098	906723890	/nfs/dbraw/zinc/72/38/90/906723890.db2.gz	JRLRFWLDNIOZIU-UHFFFAOYSA-N	-1	0	283.247	0.646	20	30		CCEDRM
C=CC[C@@H](NC(=O)c1c[n-]ncc1=O)C(=O)OCC	ZINC001296236086	906883998	/nfs/dbraw/zinc/88/39/98/906883998.db2.gz	CDJKFHCEUYQYKM-SECBINFHSA-N	-1	0	265.269	0.420	20	30		CCEDRM
N#CCCCCC(=O)N1CCC(O)(c2nnn[n-]2)CC1	ZINC001296955674	906976798	/nfs/dbraw/zinc/97/67/98/906976798.db2.gz	FSPGYJMBDWVXIM-UHFFFAOYSA-N	-1	0	278.316	0.094	20	30		CCEDRM
COC(OC)[C@H](C)NC(=O)c1[n-]c(=O)c(C#N)cc1C	ZINC001297518298	907083526	/nfs/dbraw/zinc/08/35/26/907083526.db2.gz	PKJFFYLJRMBJFQ-QMMMGPOBSA-N	-1	0	279.296	0.705	20	30		CCEDRM
C[C@@H]1[C@@H](C)CCCN1c1[n-]c(=O)n(C)c(=O)c1C#N	ZINC001337867435	921300396	/nfs/dbraw/zinc/30/03/96/921300396.db2.gz	DYMGASARQHFZLX-DTWKUNHWSA-N	-1	0	262.313	0.570	20	30		CCEDRM
Cn1ccc(-c2cc(C(=O)N[C@@H]3CCN(O)C3=O)[nH]n2)c1	ZINC001298424039	907239876	/nfs/dbraw/zinc/23/98/76/907239876.db2.gz	COOZFWDDWGFQSX-SECBINFHSA-N	-1	0	289.295	0.135	20	30		CCEDRM
CC(C)=C(C)C(=O)NCCn1cc(C#N)c(=O)[n-]c1=O	ZINC001301213940	907958404	/nfs/dbraw/zinc/95/84/04/907958404.db2.gz	WUSZHSCWLKHTMB-UHFFFAOYSA-N	-1	0	276.296	0.293	20	30		CCEDRM
CC(C)N(CCC#N)C(=O)c1c[n-]n2c1nccc2=O	ZINC001417621570	921464932	/nfs/dbraw/zinc/46/49/32/921464932.db2.gz	BDSFWWCUNZZEAA-UHFFFAOYSA-N	-1	0	273.296	0.787	20	30		CCEDRM
COc1cc(C(=O)Nc2nc(C#N)c(C#N)[n-]2)ccn1	ZINC001317896302	909535030	/nfs/dbraw/zinc/53/50/30/909535030.db2.gz	YWWRNVAXBXQSGQ-UHFFFAOYSA-N	-1	0	268.236	0.809	20	30		CCEDRM
Cc1nnc([S-])n(N=Cc2cscn2)c1=O	ZINC001317945357	909548634	/nfs/dbraw/zinc/54/86/34/909548634.db2.gz	IENVFENRNWBXLF-UHFFFAOYSA-N	-1	0	253.312	0.574	20	30		CCEDRM
COCC(=O)NCCC(=O)Nc1cc(C#N)ccc1[O-]	ZINC001318980047	909944163	/nfs/dbraw/zinc/94/41/63/909944163.db2.gz	MJNQNMIECAZFQY-UHFFFAOYSA-N	-1	0	277.280	0.355	20	30		CCEDRM
N#Cc1cnc(C(=O)[N-]N2CCCC2=O)c(Cl)c1	ZINC001319940518	910362567	/nfs/dbraw/zinc/36/25/67/910362567.db2.gz	QPPLXFXMFBOBTN-UHFFFAOYSA-N	-1	0	264.672	0.874	20	30		CCEDRM
N#Cc1cccc([C@@H]2C[C@H]2C(=O)NCCc2nc(=O)o[n-]2)c1	ZINC001417730594	921578469	/nfs/dbraw/zinc/57/84/69/921578469.db2.gz	KTVYBCZBGQMZPD-NWDGAFQWSA-N	-1	0	298.302	0.697	20	30		CCEDRM
C=CC[C@@H](NC(=O)NCc1nc(C2CC2)no1)C(=O)[O-]	ZINC001321145581	911119539	/nfs/dbraw/zinc/11/95/39/911119539.db2.gz	VHZNKRPCHZXFSY-MRVPVSSYSA-N	-1	0	280.284	0.776	20	30		CCEDRM
C=CC[C@H](NC(=O)CC1(CS(C)(=O)=O)CC1)C(=O)[O-]	ZINC001321167066	911133741	/nfs/dbraw/zinc/13/37/41/911133741.db2.gz	PLQUSFZNRYIEKD-VIFPVBQESA-N	-1	0	289.353	0.347	20	30		CCEDRM
C=CC[C@H](NC(=O)CNC(=O)OC(C)(C)C)C(=O)[O-]	ZINC001321167174	911134732	/nfs/dbraw/zinc/13/47/32/911134732.db2.gz	RJTKMKSVXMUATM-QMMMGPOBSA-N	-1	0	272.301	0.657	20	30		CCEDRM
C=CC[C@H](NC(=O)[C@@H](NC(C)=O)C1CCCC1)C(=O)[O-]	ZINC001321202810	911159781	/nfs/dbraw/zinc/15/97/81/911159781.db2.gz	DXNUMFZXZSILMD-RYUDHWBXSA-N	-1	0	282.340	0.827	20	30		CCEDRM
C=CCCn1cc(CNCc2cnn(C)c2C(=O)[O-])nn1	ZINC001339269502	921694151	/nfs/dbraw/zinc/69/41/51/921694151.db2.gz	XJGKOTGRIBNOPV-UHFFFAOYSA-N	-1	0	290.327	0.576	20	30		CCEDRM
C=CCCn1cc(C=Nn2c(=O)c(C)n[n-]c2=S)nn1	ZINC001327993354	914910150	/nfs/dbraw/zinc/91/01/50/914910150.db2.gz	NSUYMSCJQHWMIX-UHFFFAOYSA-N	-1	0	291.340	0.285	20	30		CCEDRM
C=CC[C@H](NC(=O)NCCCn1ccnc1C)C(=O)[O-]	ZINC001339492926	921738098	/nfs/dbraw/zinc/73/80/98/921738098.db2.gz	JRVFILCZJRQKMO-NSHDSACASA-N	-1	0	280.328	0.910	20	30		CCEDRM
C#CC1CCN(c2nnc(-c3cc(=O)[nH][n-]3)n2CC)CC1	ZINC001339600215	921771519	/nfs/dbraw/zinc/77/15/19/921771519.db2.gz	QGFRAZAJYMPDFY-UHFFFAOYSA-N	-1	0	286.339	0.372	20	30		CCEDRM
CCN(C(=O)c1c[n-]n2c1nccc2=O)[C@H](C)C#N	ZINC001329416969	915900481	/nfs/dbraw/zinc/90/04/81/915900481.db2.gz	PFEPKIDZOFURKJ-MRVPVSSYSA-N	-1	0	259.269	0.397	20	30		CCEDRM
C=CC[C@@H](NC(=O)[C@@H](C)N1CCSCC1)C(=O)[O-]	ZINC001332135652	917893343	/nfs/dbraw/zinc/89/33/43/917893343.db2.gz	KNGODGZFQNZZJZ-NXEZZACHSA-N	-1	0	272.370	0.569	20	30		CCEDRM
C=CC[C@@H](NS(=O)(=O)C[C@@H](OC)C1CC1)C(=O)[O-]	ZINC001332138242	917898195	/nfs/dbraw/zinc/89/81/95/917898195.db2.gz	XPFLZZAOOKGRRB-NXEZZACHSA-N	-1	0	277.342	0.360	20	30		CCEDRM
C#CC[C@H](NC(=O)[C@H](C)N(C)CC(F)(F)F)C(=O)[O-]	ZINC001332149986	917907898	/nfs/dbraw/zinc/90/78/98/917907898.db2.gz	QDCSQJDRIIMUGU-YUMQZZPRSA-N	-1	0	280.246	0.462	20	30		CCEDRM
C=CC[C@H](NC(=O)NOC[C@@H]1CCOC1)C(=O)[O-]	ZINC001332165056	917924469	/nfs/dbraw/zinc/92/44/69/917924469.db2.gz	RTTQIGLYTDJBHQ-BDAKNGLRSA-N	-1	0	258.274	0.283	20	30		CCEDRM
C=CC[C@H](NC(=O)NC[C@H](OC)[C@@H]1CCOC1)C(=O)[O-]	ZINC001333146079	918684003	/nfs/dbraw/zinc/68/40/03/918684003.db2.gz	UHHMMESTKQMAHJ-VWYCJHECSA-N	-1	0	286.328	0.366	20	30		CCEDRM
C=CC[C@@H](NC(=O)c1ccc(N2CCCC2)nn1)C(=O)[O-]	ZINC001333333194	918813173	/nfs/dbraw/zinc/81/31/73/918813173.db2.gz	ZVKQSSPPWJHOMI-LLVKDONJSA-N	-1	0	290.323	0.836	20	30		CCEDRM
C=C[C@@](C)(O)C(=O)NCc1ccc(OC)c(C(=O)[O-])c1	ZINC001334948975	919860140	/nfs/dbraw/zinc/86/01/40/919860140.db2.gz	SAXMKFJPIIYMKC-CQSZACIVSA-N	-1	0	279.292	0.947	20	30		CCEDRM
C=CC[C@@H](NC(=O)C1(N2CCOCC2)CCC1)C(=O)[O-]	ZINC001334980553	919880621	/nfs/dbraw/zinc/88/06/21/919880621.db2.gz	JXHJMMWETLJPIU-LLVKDONJSA-N	-1	0	282.340	0.387	20	30		CCEDRM
C=CCOCCN=c1nn[n-]n1Cc1ccccc1	ZINC001335521063	920252118	/nfs/dbraw/zinc/25/21/18/920252118.db2.gz	UAVGHLQNMHGDQW-UHFFFAOYSA-N	-1	0	259.313	0.758	20	30		CCEDRM
Cc1cc(C#N)nc(N2CCC(c3nn[nH]n3)CC2)n1	ZINC001413911590	920430256	/nfs/dbraw/zinc/43/02/56/920430256.db2.gz	LATOJEPWPVRBQT-UHFFFAOYSA-N	-1	0	270.300	0.554	20	30		CCEDRM
C=CCO[C@H]1CCN(C(=O)N[C@H]2C[C@@H](C(=O)[O-])C2)C1	ZINC001335992144	920550573	/nfs/dbraw/zinc/55/05/73/920550573.db2.gz	BPESNIPCADEFKC-AXFHLTTASA-N	-1	0	268.313	0.836	20	30		CCEDRM
CC(C)[C@H]1CCN(c2[n-]c(=O)n(C)c(=O)c2C#N)C1	ZINC001336544916	920826254	/nfs/dbraw/zinc/82/62/54/920826254.db2.gz	JLQZKVWWBSDFFU-VIFPVBQESA-N	-1	0	262.313	0.428	20	30		CCEDRM
C=C(C)[C@@H]1OCC[C@@H]1CNc1[n-]c(=O)n(C)c(=O)c1C#N	ZINC001336617510	920880522	/nfs/dbraw/zinc/88/05/22/920880522.db2.gz	UYTRSFPKZPPSSP-KOLCDFICSA-N	-1	0	290.323	0.338	20	30		CCEDRM
C[C@@H]1CCN(c2[n-]c(=O)n(C)c(=O)c2C#N)[C@H](C)C1	ZINC001336680440	920923681	/nfs/dbraw/zinc/92/36/81/920923681.db2.gz	UAQGMYKVPXYGJC-RKDXNWHRSA-N	-1	0	262.313	0.570	20	30		CCEDRM
Cc1cc(C#N)c(=O)[n-]c1C(=O)N[C@H](CO)c1cccnc1	ZINC001418092450	921824872	/nfs/dbraw/zinc/82/48/72/921824872.db2.gz	MWDYOBIZQLGBBS-GFCCVEGCSA-N	-1	0	298.302	0.826	20	30		CCEDRM
C#C[C@H](NC(=O)N(CCOC)CCC(=O)[O-])C(C)C	ZINC001339864572	921860312	/nfs/dbraw/zinc/86/03/12/921860312.db2.gz	QLMOIWUCSHYBLO-NSHDSACASA-N	-1	0	270.329	0.777	20	30		CCEDRM
CO[C@H]1COCC[C@H]1CC(=O)Nc1nc(C#N)c(C#N)[n-]1	ZINC001418237864	921951853	/nfs/dbraw/zinc/95/18/53/921951853.db2.gz	OAJOJAOADNKIBZ-KWQFWETISA-N	-1	0	289.295	0.533	20	30		CCEDRM
C=CCN(CCOC)c1nnc(-c2cc(=O)[nH][n-]2)n1CC	ZINC001340999630	922309966	/nfs/dbraw/zinc/30/99/66/922309966.db2.gz	GWIHIVIGLRPUEW-UHFFFAOYSA-N	-1	0	292.343	0.161	20	30		CCEDRM
C#CCN(CC)c1nnc(-c2cc(=O)n(C)[n-]2)n1C	ZINC001341627665	922590813	/nfs/dbraw/zinc/59/08/13/922590813.db2.gz	WWSCSQKPFHLJII-UHFFFAOYSA-N	-1	0	260.301	0.381	20	30		CCEDRM
Cn1ncc2cc(C([O-])=C(C#N)C(=O)NC3CC3)cnc21	ZINC001341785739	922672430	/nfs/dbraw/zinc/67/24/30/922672430.db2.gz	MLNJJCXHKNENGI-NSHDSACASA-N	-1	0	283.291	0.569	20	30		CCEDRM
CN(C)c1cnc(C([O-])=C(C#N)c2nccn2C)cn1	ZINC001342268878	922883743	/nfs/dbraw/zinc/88/37/43/922883743.db2.gz	QWVLOKGFWOEDDL-VIFPVBQESA-N	-1	0	270.296	0.766	20	30		CCEDRM
N#CC(=C([O-])c1cc2n(n1)CCO2)c1ccncn1	ZINC001342610272	923021958	/nfs/dbraw/zinc/02/19/58/923021958.db2.gz	JYYWAHBLKWVIHH-QMMMGPOBSA-N	-1	0	255.237	0.556	20	30		CCEDRM
COCc1nocc1C([O-])=C(C#N)C(=O)N1CCCC1	ZINC001342614757	923025726	/nfs/dbraw/zinc/02/57/26/923025726.db2.gz	GMXCSQLCLMEEBR-SECBINFHSA-N	-1	0	277.280	0.766	20	30		CCEDRM
CCOCCn1cc(C([O-])=C(C#N)C(=O)NC2CC2)cn1	ZINC001342631335	923033485	/nfs/dbraw/zinc/03/34/85/923033485.db2.gz	OQXQYVIWIKXSBY-LBPRGKRZSA-N	-1	0	290.323	0.521	20	30		CCEDRM
Cc1cnn(C)c1C([O-])=C(C#N)C(=O)N1CCCC1	ZINC001342694982	923057720	/nfs/dbraw/zinc/05/77/20/923057720.db2.gz	DZSJJVBXUNOYHQ-SNVBAGLBSA-N	-1	0	260.297	0.673	20	30		CCEDRM
C#CCO[C@@H](C)C(=O)C(C#N)=C([O-])c1nccn1C	ZINC001342895070	923126008	/nfs/dbraw/zinc/12/60/08/923126008.db2.gz	NRHHFOAGXLQFJV-UWVGGRQHSA-N	-1	0	259.265	0.350	20	30		CCEDRM
C#CCO[C@H](C)C(=O)C(C#N)=C([O-])c1nccn1C	ZINC001342895076	923127263	/nfs/dbraw/zinc/12/72/63/923127263.db2.gz	NRHHFOAGXLQFJV-ZJUUUORDSA-N	-1	0	259.265	0.350	20	30		CCEDRM
C#CCO[C@@H](C)C(=O)OCc1n[n-]c(C)cc1=O	ZINC001343281954	923257097	/nfs/dbraw/zinc/25/70/97/923257097.db2.gz	DBFMDZVGPFFAGU-VIFPVBQESA-N	-1	0	250.254	0.572	20	30		CCEDRM
CNC(=O)C(C#N)=C([O-])c1nc(-c2cnn(C)c2)oc1C	ZINC001343457177	923325513	/nfs/dbraw/zinc/32/55/13/923325513.db2.gz	ZKEMROIFMFODLH-SECBINFHSA-N	-1	0	287.279	0.452	20	30		CCEDRM
C#CC[C@@H](NC(=O)[C@@H]1CCOC(C)(C)C1)C(=O)[O-]	ZINC001344537033	923628146	/nfs/dbraw/zinc/62/81/46/923628146.db2.gz	WODFBCNNNOGWMV-NXEZZACHSA-N	-1	0	253.298	0.784	20	30		CCEDRM
Cn1ccnc1C(=O)C(C#N)=C([O-])c1c2c(nn1C)CCC2	ZINC001345063426	923780699	/nfs/dbraw/zinc/78/06/99/923780699.db2.gz	YJXCXPZYRRMFHU-SNVBAGLBSA-N	-1	0	297.318	0.848	20	30		CCEDRM
CCc1noc(C)c1CNc1[n-]c(=O)n(C)c(=O)c1C#N	ZINC001421122308	924165134	/nfs/dbraw/zinc/16/51/34/924165134.db2.gz	GRAAJUJKYXYMBH-UHFFFAOYSA-N	-1	0	289.295	0.416	20	30		CCEDRM
N#C[C@@]1(NC(=O)c2c[n-]ncc2=O)CCSC1	ZINC001346788216	924311761	/nfs/dbraw/zinc/31/17/61/924311761.db2.gz	QBKNVMVWFKOQFT-JTQLQIEISA-N	-1	0	250.283	0.311	20	30		CCEDRM
C[C@H]1O[C@@H](C)[C@H](C)[C@H]1C(=O)[N-]S(=O)(=O)CCCC#N	ZINC001348272688	924634129	/nfs/dbraw/zinc/63/41/29/924634129.db2.gz	XCEYTNMUQIDULV-UKKRHICBSA-N	-1	0	288.369	0.796	20	30		CCEDRM
CCn1cc(C(=O)[N-]S(=O)(=O)CCCC#N)c(C)n1	ZINC001351511472	925428950	/nfs/dbraw/zinc/42/89/50/925428950.db2.gz	OKCRGPGGGVWCET-UHFFFAOYSA-N	-1	0	284.341	0.575	20	30		CCEDRM
CNC(=O)C(C#N)=C([O-])c1cc(S(C)(=O)=O)c(C)o1	ZINC001356132214	926347928	/nfs/dbraw/zinc/34/79/28/926347928.db2.gz	YYVUEFCQGZQQIQ-SSDOTTSWSA-N	-1	0	284.293	0.060	20	30		CCEDRM
Cn1ccnc1C([O-])=C(C#N)C(=O)CCc1ccncn1	ZINC001357639805	926573722	/nfs/dbraw/zinc/57/37/22/926573722.db2.gz	QOPNTAHQPBEYGA-LLVKDONJSA-N	-1	0	283.291	0.734	20	30		CCEDRM
C=CC[C@@H](NC(=O)[C@H]1CC(=O)N(C2CCCC2)C1)C(=O)[O-]	ZINC000150019055	926944316	/nfs/dbraw/zinc/94/43/16/926944316.db2.gz	NRGOVGOKSQKBJJ-CMPLNLGQSA-N	-1	0	294.351	0.923	20	30		CCEDRM
CN(C(=O)Cn1cc(C#N)c(=O)[n-]c1=O)c1ccccc1	ZINC001361599069	927182028	/nfs/dbraw/zinc/18/20/28/927182028.db2.gz	YHGOWONZSYGGNX-UHFFFAOYSA-N	-1	0	284.275	0.484	20	30		CCEDRM
Cc1cc(C#N)c(=O)[n-]c1C(=O)N[C@H](C)CC[S@](C)=O	ZINC001361954153	927475227	/nfs/dbraw/zinc/47/52/27/927475227.db2.gz	SXDFVJXIIJKHHB-YBYGRFCBSA-N	-1	0	295.364	0.854	20	30		CCEDRM
Cc1nc2n(n1)CCN(C(=O)c1[n-]c(=O)c(C#N)cc1C)C2	ZINC001362200686	927723522	/nfs/dbraw/zinc/72/35/22/927723522.db2.gz	UZFYLWHSOQFZEG-UHFFFAOYSA-N	-1	0	298.306	0.523	20	30		CCEDRM
Cc1cc(C#N)c(=O)[n-]c1C(=O)N1CC(n2ccnc2)C1	ZINC001362301000	927846866	/nfs/dbraw/zinc/84/68/66/927846866.db2.gz	ZIEHBRWPFYKQIO-UHFFFAOYSA-N	-1	0	283.291	0.861	20	30		CCEDRM
Cc1cc(C#N)c(=O)[n-]c1C(=O)NCC1([S@](C)=O)CC1	ZINC001362547982	928162469	/nfs/dbraw/zinc/16/24/69/928162469.db2.gz	BVJHTEJZIJEYBQ-FQEVSTJZSA-N	-1	0	293.348	0.608	20	30		CCEDRM
Cc1cc(C#N)c(=O)[n-]c1C(=O)N1CC[C@H](c2nnc[nH]2)C1	ZINC001363468158	929270584	/nfs/dbraw/zinc/27/05/84/929270584.db2.gz	QLNSQESLJBVVSB-VIFPVBQESA-N	-1	0	298.306	0.715	20	30		CCEDRM
Cc1cc(C#N)c(=O)[n-]c1C(=O)N1CCC[C@H](O)[C@@H]1C	ZINC001363494999	929300853	/nfs/dbraw/zinc/30/08/53/929300853.db2.gz	NDSBNVXOCVOOFK-ONGXEEELSA-N	-1	0	275.308	0.953	20	30		CCEDRM
CN(C(=O)Cn1c(=O)[n-]cc(C#N)c1=O)c1ccccc1	ZINC001363764762	929553980	/nfs/dbraw/zinc/55/39/80/929553980.db2.gz	VJIGIDBWJQBXOK-UHFFFAOYSA-N	-1	0	284.275	0.071	20	30		CCEDRM
CSc1[n-]c(=O)c(C(=O)N[C@@H]2CC[C@H]2O)cc1C#N	ZINC001363813936	929603824	/nfs/dbraw/zinc/60/38/24/929603824.db2.gz	ABLJQNNZZYDXNO-RKDXNWHRSA-N	-1	0	279.321	0.634	20	30		CCEDRM
Cc1cc(C#N)c(=O)[n-]c1C(=O)N1C[C@H](CO)OC[C@H]1C	ZINC001446085375	930330003	/nfs/dbraw/zinc/33/00/03/930330003.db2.gz	LFLDIVIJTXWNSI-MWLCHTKSSA-N	-1	0	291.307	0.189	20	30		CCEDRM
Cc1ccc(S(=O)(=O)NC[C@@H](C)C(=O)[O-])c(C#N)c1	ZINC001600480766	970814585	/nfs/dbraw/zinc/81/45/85/970814585.db2.gz	GHCVSTAJWVGGGP-SECBINFHSA-N	-1	0	282.321	0.866	20	30		CCEDRM
N#Cc1ccc(F)c(C(=O)NCCOCC(=O)[O-])c1	ZINC001601102448	970933369	/nfs/dbraw/zinc/93/33/69/970933369.db2.gz	CRIDQOMJKNQZIE-UHFFFAOYSA-N	-1	0	266.228	0.528	20	30		CCEDRM
N#Cc1ccc2c(c1)N(CC(=O)NCC(=O)[O-])CC2	ZINC001601115070	970935704	/nfs/dbraw/zinc/93/57/04/970935704.db2.gz	JDQZYFUFNOCFTC-UHFFFAOYSA-N	-1	0	259.265	0.122	20	30		CCEDRM
N#CC1CCN(C(=O)c2cnc(C(=O)[O-])cn2)CC1	ZINC001611291038	970976399	/nfs/dbraw/zinc/97/63/99/970976399.db2.gz	CVPMOXQAMHXYRB-UHFFFAOYSA-N	-1	0	260.253	0.551	20	30		CCEDRM
O=C([O-])C1CCC(=NNCCCN2CCOCC2)CC1	ZINC001611365101	971017853	/nfs/dbraw/zinc/01/78/53/971017853.db2.gz	UDXJFVGGWTZYKZ-UHFFFAOYSA-N	-1	0	283.372	0.929	20	30		CCEDRM
C#C[C@@H]1CCCCN1C(=O)C(=O)NCC1(C(=O)[O-])CCC1	ZINC001602671738	971235441	/nfs/dbraw/zinc/23/54/41/971235441.db2.gz	FRCRVDASFHFYRU-LLVKDONJSA-N	-1	0	292.335	0.372	20	30		CCEDRM
C#CC[C@H](NC(=O)C1(CC(=O)[O-])CCC1)C(=O)OC	ZINC001602675132	971245519	/nfs/dbraw/zinc/24/55/19/971245519.db2.gz	LEXUTLSNRBBYKF-VIFPVBQESA-N	-1	0	267.281	0.313	20	30		CCEDRM
C#CC[C@H]1NC(=O)N(C[C@H](C(=O)[O-])C(C)C)C1=O	ZINC001602675285	971247523	/nfs/dbraw/zinc/24/75/23/971247523.db2.gz	OSUGXJGIAIPNAR-DTWKUNHWSA-N	-1	0	252.270	0.287	20	30		CCEDRM
C#CC[C@@H](CCOC)NC(=O)N(CC#C)CC(=O)[O-]	ZINC001602675431	971249010	/nfs/dbraw/zinc/24/90/10/971249010.db2.gz	VQOMIZHKRUQREL-NSHDSACASA-N	-1	0	266.297	0.144	20	30		CCEDRM
C#CCN(CC(=O)[O-])C(=O)NCc1cnc(CC)o1	ZINC001602685866	971283214	/nfs/dbraw/zinc/28/32/14/971283214.db2.gz	IVPGMSAYNMQKNB-UHFFFAOYSA-N	-1	0	265.269	0.466	20	30		CCEDRM
C#CCN(CC(=O)[O-])C(=O)c1cc(-n2cccn2)ccn1	ZINC001602691576	971296575	/nfs/dbraw/zinc/29/65/75/971296575.db2.gz	NAZRSCVOOSRJJC-UHFFFAOYSA-N	-1	0	284.275	0.427	20	30		CCEDRM
C#CCN(CC(=O)[O-])C(=O)c1nnc2ccccc2c1O	ZINC001602692060	971299959	/nfs/dbraw/zinc/29/99/59/971299959.db2.gz	CSDUJJFFFJZDOQ-UHFFFAOYSA-N	-1	0	285.259	0.495	20	30		CCEDRM
C#CCN(CC(=O)[O-])C(=O)c1cccn(CC(C)C)c1=O	ZINC001602692172	971301044	/nfs/dbraw/zinc/30/10/44/971301044.db2.gz	GOXNSFSIJVQTMV-UHFFFAOYSA-N	-1	0	290.319	0.664	20	30		CCEDRM
C#CCN(CC(=O)[O-])[C@@H]1CCN(c2ccccc2F)C1=O	ZINC001602695968	971314076	/nfs/dbraw/zinc/31/40/76/971314076.db2.gz	ZESMYZBNLRZORN-CYBMUJFWSA-N	-1	0	290.294	0.951	20	30		CCEDRM
C#CCN(CC(=O)[O-])c1nnc(C2SC=CC2=O)n1C	ZINC001602699426	971317174	/nfs/dbraw/zinc/31/71/74/971317174.db2.gz	SBENNVXDSAVOCQ-UHFFFAOYSA-N	-1	0	292.320	0.773	20	30		CCEDRM
C#CCN1CCC[C@H](NC(=O)NCCCC(=O)[O-])C1	ZINC001602702065	971329153	/nfs/dbraw/zinc/32/91/53/971329153.db2.gz	GIRPZDGKCQDHGA-NSHDSACASA-N	-1	0	267.329	0.248	20	30		CCEDRM
C=C(CO)C(=O)N[C@@H](C)[C@@H]1C[C@H](C(=O)[O-])C1(C)C	ZINC001602712008	971353103	/nfs/dbraw/zinc/35/31/03/971353103.db2.gz	FOAZGPYZLRWBAL-LPEHRKFASA-N	-1	0	255.314	0.787	20	30		CCEDRM
C=C(C)[C@H]1OCC[C@H]1C(=O)N(CCOC)CCC(=O)[O-]	ZINC001602712287	971355631	/nfs/dbraw/zinc/35/56/31/971355631.db2.gz	MUGPALXWMNYITJ-DGCLKSJQSA-N	-1	0	285.340	0.917	20	30		CCEDRM
C=C[C@@H](C(=O)NC[C@@](C)(O)C(=O)[O-])c1ccccc1	ZINC001602713118	971360282	/nfs/dbraw/zinc/36/02/82/971360282.db2.gz	MDPMNQDPDZZTRG-BXUZGUMPSA-N	-1	0	263.293	0.908	20	30		CCEDRM
C=C[C@](C)(O)CC(=O)N1C[C@H](C)C[C@@H](C(=O)[O-])C1	ZINC001602717170	971364295	/nfs/dbraw/zinc/36/42/95/971364295.db2.gz	BZRVAOLYLPVGKH-BREBYQMCSA-N	-1	0	255.314	0.883	20	30		CCEDRM
C=CC1CCN(C(=O)[C@@H]2CCCN(CC(=O)[O-])C2=O)CC1	ZINC001602717337	971366035	/nfs/dbraw/zinc/36/60/35/971366035.db2.gz	JBWIFCURDYMYMY-LBPRGKRZSA-N	-1	0	294.351	0.734	20	30		CCEDRM
C=C[C@H](O)c1nnc(N2CC[C@@H](C(=O)[O-])C2)n1CC	ZINC001602717435	971367490	/nfs/dbraw/zinc/36/74/90/971367490.db2.gz	MOPPKBYQYJOEEQ-BDAKNGLRSA-N	-1	0	266.301	0.428	20	30		CCEDRM
C=CC[C@H](NC(=O)CCCC(=O)[O-])C(=O)OCC	ZINC001602718299	971374426	/nfs/dbraw/zinc/37/44/26/971374426.db2.gz	JLMBAOSSYOUECH-VIFPVBQESA-N	-1	0	257.286	0.865	20	30		CCEDRM
C=CCN1CC[C@H](N(C)C(=O)CCC(=O)[O-])C1=O	ZINC001602722888	971390857	/nfs/dbraw/zinc/39/08/57/971390857.db2.gz	XQBARTAAWJTXBF-VIFPVBQESA-N	-1	0	254.286	0.097	20	30		CCEDRM
C=CCO[C@@H]1CCN(C(=O)Nc2ccn(CC(=O)[O-])n2)C1	ZINC001602723283	971395227	/nfs/dbraw/zinc/39/52/27/971395227.db2.gz	ZOAZNNGRSIHOLT-SNVBAGLBSA-N	-1	0	294.311	0.777	20	30		CCEDRM
CC#CC[C@H](CO)NC(=O)[C@H](C(=O)[O-])C1CCCC1	ZINC001602735357	971419163	/nfs/dbraw/zinc/41/91/63/971419163.db2.gz	ZAOKLMFFDSTGJO-VXGBXAGGSA-N	-1	0	267.325	0.768	20	30		CCEDRM
C[C@](C#N)(CC(=O)[O-])C(=O)N1CC[C@@H]2COC[C@H]2C1	ZINC001602778115	971510538	/nfs/dbraw/zinc/51/05/38/971510538.db2.gz	BPJNKRLBOXNWQM-GIPNMCIBSA-N	-1	0	266.297	0.486	20	30		CCEDRM
C[C@@](C#N)(CC(=O)[O-])C(=O)OCc1cnsn1	ZINC001602781947	971527821	/nfs/dbraw/zinc/52/78/21/971527821.db2.gz	LUUNVYDLDOWPOF-VIFPVBQESA-N	-1	0	255.255	0.586	20	30		CCEDRM
N#Cc1cccc(NC(=O)CN2CCOC[C@@H]2C(=O)[O-])c1	ZINC000088378354	949104953	/nfs/dbraw/zinc/10/49/53/949104953.db2.gz	PYNIINNFMOVCFS-GFCCVEGCSA-N	-1	0	289.291	0.282	20	30		CCEDRM
C[C@@H](C(=O)N[C@H](C(=O)[O-])c1ccccc1)n1cnc(C#N)n1	ZINC001602793163	971553308	/nfs/dbraw/zinc/55/33/08/971553308.db2.gz	RNISVHSQTXZJPU-CABZTGNLSA-N	-1	0	299.290	0.653	20	30		CCEDRM
C[C@H](C(=O)[O-])C(=O)N1CC(Oc2ccc(C#N)cc2)C1	ZINC001602796677	971562663	/nfs/dbraw/zinc/56/26/63/971562663.db2.gz	BZXKRZSOEPLOCU-VIFPVBQESA-N	-1	0	274.276	0.869	20	30		CCEDRM
C[C@H](C(=O)[O-])C(=O)N1CCN(c2ncccc2C#N)CC1	ZINC001602800039	971571935	/nfs/dbraw/zinc/57/19/35/971571935.db2.gz	CFTGGNBSJVPYTB-JTQLQIEISA-N	-1	0	288.307	0.323	20	30		CCEDRM
C#CCN(CC(=O)[O-])C(=O)c1ccc([N+](=O)[O-])c(OC)c1	ZINC000164798040	949414692	/nfs/dbraw/zinc/41/46/92/949414692.db2.gz	DGBXODKWEADMDX-UHFFFAOYSA-N	-1	0	292.247	0.763	20	30		CCEDRM
C#C[C@H](CCC)NC(=O)N1CCO[C@H](C(=O)[O-])C1	ZINC000230017027	949668165	/nfs/dbraw/zinc/66/81/65/949668165.db2.gz	FPMZQJOKISPNKM-ZJUUUORDSA-N	-1	0	254.286	0.283	20	30		CCEDRM
C[C@H](C(=O)[O-])C(=O)OC1(C#N)CN(C(=O)OC(C)(C)C)C1	ZINC001602811234	971602935	/nfs/dbraw/zinc/60/29/35/971602935.db2.gz	WBDGZLZQCWZCBD-MRVPVSSYSA-N	-1	0	298.295	0.763	20	30		CCEDRM
C=CCCN(C)S(=O)(=O)N1CCC(C(=O)[O-])CC1	ZINC000381002639	951198162	/nfs/dbraw/zinc/19/81/62/951198162.db2.gz	NAZCMFUUHHUXEY-UHFFFAOYSA-N	-1	0	276.358	0.536	20	30		CCEDRM
O=C([O-])CCCC=NNC(=S)NC[C@@H]1CCCO1	ZINC001595031119	951366886	/nfs/dbraw/zinc/36/68/86/951366886.db2.gz	ATACNBHIWVGRRI-VIFPVBQESA-N	-1	0	273.358	0.870	20	30		CCEDRM
O=C([O-])c1ccccc1CNC(=O)NCC#CCO	ZINC001594737875	953352416	/nfs/dbraw/zinc/35/24/16/953352416.db2.gz	ZADPCMCRFCTXNG-UHFFFAOYSA-N	-1	0	262.265	0.180	20	30		CCEDRM
CCc1nc(C#N)cc(NCCOCCOCC(=O)[O-])n1	ZINC001593647618	953686460	/nfs/dbraw/zinc/68/64/60/953686460.db2.gz	QOQVMGUOFFFGJC-UHFFFAOYSA-N	-1	0	294.311	0.440	20	30		CCEDRM
C=CC(C)(C)CNS(=O)(=O)N(C)CCC(=O)[O-]	ZINC000384952052	971968577	/nfs/dbraw/zinc/96/85/77/971968577.db2.gz	LVXWVUUDGDEQHD-UHFFFAOYSA-N	-1	0	264.347	0.440	20	30		CCEDRM
C[C@@H]1CN(C(=O)[C@](C)(C#N)CC(=O)[O-])C[C@@H](C)N1CC#N	ZINC001589366022	954195231	/nfs/dbraw/zinc/19/52/31/954195231.db2.gz	FOZMHEHXNWBEGY-GYSYKLTISA-N	-1	0	292.339	0.436	20	30		CCEDRM
CN(CC(=O)[O-])Cc1cn([C@@H]2CC[C@H](C#N)C2)nn1	ZINC001593722918	954263180	/nfs/dbraw/zinc/26/31/80/954263180.db2.gz	VSWKEBZSGJNERW-GXSJLCMTSA-N	-1	0	263.301	0.659	20	30		CCEDRM
C[C@@H]1CN(Cc2cc(C(=O)[O-])nn2C)C[C@H](C)N1CC#N	ZINC001589399052	954396028	/nfs/dbraw/zinc/39/60/28/954396028.db2.gz	MBWPPRVKIUUXNF-PHIMTYICSA-N	-1	0	291.355	0.536	20	30		CCEDRM
CC[C@H](C#N)C(=O)N(CC(=O)[O-])C1CCOCC1	ZINC001589426105	954621058	/nfs/dbraw/zinc/62/10/58/954621058.db2.gz	DAUYEPHBCPPBHH-SECBINFHSA-N	-1	0	254.286	0.628	20	30		CCEDRM
N#Cc1cccc(S(=O)(=O)N[C@H]2C[C@@H](C(=O)[O-])C2)c1	ZINC000693419848	954744266	/nfs/dbraw/zinc/74/42/66/954744266.db2.gz	YKBMCGTXNXADEV-AOOOYVTPSA-N	-1	0	280.305	0.700	20	30		CCEDRM
Cn1cc(C#N)cc1C(=O)N1CCC[C@]1(C)C(=O)[O-]	ZINC001594525658	955498792	/nfs/dbraw/zinc/49/87/92/955498792.db2.gz	JZXCCNXZRZOYIN-CYBMUJFWSA-N	-1	0	261.281	0.976	20	30		CCEDRM
C[C@@H](CN1CCOCC1)OC(=O)[C@@](C)(C#N)CC(=O)[O-]	ZINC001589038710	955572687	/nfs/dbraw/zinc/57/26/87/955572687.db2.gz	GVVWEZLIEBAJLT-GXFFZTMASA-N	-1	0	284.312	0.255	20	30		CCEDRM
Cn1ccc(C(N)=NOCc2cccc(C(=O)[O-])c2)n1	ZINC001594549216	955707725	/nfs/dbraw/zinc/70/77/25/955707725.db2.gz	CRMRYAGSHXTSEW-UHFFFAOYSA-N	-1	0	274.280	0.955	20	30		CCEDRM
Cn1nc(C(=O)[O-])cc1C(=O)N1CCC[C@@H](CC#N)C1	ZINC001594564537	955825778	/nfs/dbraw/zinc/82/57/78/955825778.db2.gz	XZIZATSLFSIXKS-VIFPVBQESA-N	-1	0	276.296	0.884	20	30		CCEDRM
CO[C@H](C(=O)[O-])C(=O)N1CC(Oc2ccc(C#N)cc2)C1	ZINC001593902383	955884052	/nfs/dbraw/zinc/88/40/52/955884052.db2.gz	QJROVFLORVYXJY-LBPRGKRZSA-N	-1	0	290.275	0.247	20	30		CCEDRM
N#CC1(NC(=O)[C@H]2CC[C@H]2C(=O)[O-])CCOCC1	ZINC001594601371	956134150	/nfs/dbraw/zinc/13/41/50/956134150.db2.gz	BFPXVZOQAPEBTP-DTWKUNHWSA-N	-1	0	252.270	0.286	20	30		CCEDRM
N#CC1(C(=O)N2C[C@H]3COC[C@@]3(C(=O)[O-])C2)CCC1	ZINC001594601479	956135449	/nfs/dbraw/zinc/13/54/49/956135449.db2.gz	MRLNOTGCHFNXIV-ZANVPECISA-N	-1	0	264.281	0.240	20	30		CCEDRM
N#CCC1(O)CN(C(=O)c2coc(/C=C/C(=O)[O-])c2)C1	ZINC001594605469	956166986	/nfs/dbraw/zinc/16/69/86/956166986.db2.gz	CTFMQKQKLVIUHH-OWOJBTEDSA-N	-1	0	276.248	0.478	20	30		CCEDRM
N#CCC1CCN(CN2C[C@@H](C(=O)[O-])CC2=O)CC1	ZINC001594605882	956173110	/nfs/dbraw/zinc/17/31/10/956173110.db2.gz	JVMWVRUSQSQSPF-NSHDSACASA-N	-1	0	265.313	0.503	20	30		CCEDRM
N#C[C@@H]1CN(C(=O)[C@H](C(=O)[O-])C2CC2)CCN1C1CC1	ZINC001594605933	956174380	/nfs/dbraw/zinc/17/43/80/956174380.db2.gz	MIIVPYZCOYWSOO-VXGBXAGGSA-N	-1	0	277.324	0.296	20	30		CCEDRM
CO[C@](C)(C(=O)[O-])C(=O)Nc1cc(C)c(C#N)cn1	ZINC001593931023	956179430	/nfs/dbraw/zinc/17/94/30/956179430.db2.gz	XTOVCDBMZUFVGT-LBPRGKRZSA-N	-1	0	263.253	0.690	20	30		CCEDRM
N#CCCN(Cc1ccco1)C(=O)[C@H]1CC(C(=O)[O-])=NO1	ZINC001594609920	956195609	/nfs/dbraw/zinc/19/56/09/956195609.db2.gz	DVXAEOCTBJUIGJ-LLVKDONJSA-N	-1	0	291.263	0.751	20	30		CCEDRM
CO[C@](C)(C(=O)[O-])C(=O)OCc1ccc(C#N)cn1	ZINC001593933499	956202220	/nfs/dbraw/zinc/20/22/20/956202220.db2.gz	HUZBZTHVXOLQAJ-GFCCVEGCSA-N	-1	0	264.237	0.486	20	30		CCEDRM
N#CCN1CCN(C(=O)[C@@H](C(=O)[O-])C2CCCC2)CC1	ZINC001594610387	956203112	/nfs/dbraw/zinc/20/31/12/956203112.db2.gz	XYDRJDQVOJECHQ-LBPRGKRZSA-N	-1	0	279.340	0.545	20	30		CCEDRM
N#CCc1ccc(CNC(=O)[C@H]2CC(C(=O)[O-])=NO2)cc1	ZINC001594611307	956213432	/nfs/dbraw/zinc/21/34/32/956213432.db2.gz	MDSJPDUSDKVDOP-GFCCVEGCSA-N	-1	0	287.275	0.598	20	30		CCEDRM
C[C@@](O)(CNC(=O)C1(C#N)CC2(CC2)C1)C(=O)[O-]	ZINC001589138297	956244795	/nfs/dbraw/zinc/24/47/95/956244795.db2.gz	NDOHIFVBKAFEET-SNVBAGLBSA-N	-1	0	252.270	0.022	20	30		CCEDRM
N#Cc1ccc([C@@H](O)C(=O)NCC2(C(=O)[O-])CCC2)cc1	ZINC001594617904	956256013	/nfs/dbraw/zinc/25/60/13/956256013.db2.gz	QLMKHKUWTOTBAE-GFCCVEGCSA-N	-1	0	288.303	0.963	20	30		CCEDRM
N#Cc1ccc(OC2CCC(NC(=O)C(=O)[O-])CC2)nc1	ZINC001594624017	956301438	/nfs/dbraw/zinc/30/14/38/956301438.db2.gz	NLUREEWXPSRNAG-UHFFFAOYSA-N	-1	0	289.291	0.844	20	30		CCEDRM
N#Cc1cncc(CNC(=O)[C@H](C(=O)[O-])C2CC2)c1	ZINC001594633153	956357533	/nfs/dbraw/zinc/35/75/33/956357533.db2.gz	PQUUNYDVKPKZBG-LLVKDONJSA-N	-1	0	259.265	0.680	20	30		CCEDRM
N#Cc1cnccc1SCC(=O)NCC(=O)[O-]	ZINC001594633947	956359777	/nfs/dbraw/zinc/35/97/77/956359777.db2.gz	AGVZSYYNKPBWJK-UHFFFAOYSA-N	-1	0	251.267	0.246	20	30		CCEDRM
CC(C)[C@](C)(C#N)NC(=O)[C@@H](C)OC(=O)CCC(=O)[O-]	ZINC001589155206	956369375	/nfs/dbraw/zinc/36/93/75/956369375.db2.gz	DVQBGLBAJCNFIU-RNCFNFMXSA-N	-1	0	284.312	0.837	20	30		CCEDRM
CC1(C)C[C@]1(C(=O)[O-])C(=O)OCCOCCC#N	ZINC001589216904	956728681	/nfs/dbraw/zinc/72/86/81/956728681.db2.gz	AMRWSKPANCPNTA-LBPRGKRZSA-N	-1	0	255.270	0.961	20	30		CCEDRM
COC[C@]1(C)CN(C(=O)[C@](C)(C#N)CC(=O)[O-])CCO1	ZINC001593986753	956797964	/nfs/dbraw/zinc/79/79/64/956797964.db2.gz	JSGLLLLHGLXYIK-STQMWFEESA-N	-1	0	284.312	0.255	20	30		CCEDRM
C#C[C@H](NC(=O)NCCSCC(=O)[O-])C(C)C	ZINC000389448979	972226109	/nfs/dbraw/zinc/22/61/09/972226109.db2.gz	QORQBXKNLWRTKE-VIFPVBQESA-N	-1	0	258.343	0.761	20	30		CCEDRM
C[C@@H](CN(C)C(=O)NCc1ccc(C#N)cn1)C(=O)[O-]	ZINC001603150226	972248914	/nfs/dbraw/zinc/24/89/14/972248914.db2.gz	MFLQBEGMTKVNDU-VIFPVBQESA-N	-1	0	276.296	0.815	20	30		CCEDRM
CN(Cc1ccc(C#N)cc1)C(=O)COCC(=O)[O-]	ZINC000041073375	957386761	/nfs/dbraw/zinc/38/67/61/957386761.db2.gz	DSXICOAEFWYUSP-UHFFFAOYSA-N	-1	0	262.265	0.618	20	30		CCEDRM
N#CCCNS(=O)(=O)c1ccsc1C(=O)[O-]	ZINC000050279666	957488827	/nfs/dbraw/zinc/48/88/27/957488827.db2.gz	FKUSKZZEARBURR-UHFFFAOYSA-N	-1	0	260.296	0.638	20	30		CCEDRM
CCN(CC(=O)N1CCC(C(=O)[O-])CC1)C[C@@H](C)C#N	ZINC000054262878	957527210	/nfs/dbraw/zinc/52/72/10/957527210.db2.gz	UVYUNPOGRJZTKE-NSHDSACASA-N	-1	0	281.356	0.791	20	30		CCEDRM
CCN(CCC#N)S(=O)(=O)c1n[nH]c(C)c1C(=O)[O-]	ZINC000070446553	957673477	/nfs/dbraw/zinc/67/34/77/957673477.db2.gz	VUKVOOKPJBLXGR-UHFFFAOYSA-N	-1	0	286.313	0.341	20	30		CCEDRM
COCCc1ncc(C=NNCCC(=O)[O-])s1	ZINC001594022524	957675101	/nfs/dbraw/zinc/67/51/01/957675101.db2.gz	IIDJHKVYEORFKF-UHFFFAOYSA-N	-1	0	257.315	0.730	20	30		CCEDRM
N#Cc1ccc(CN2CCNC(=O)[C@H]2CC(=O)[O-])c(F)c1	ZINC000071248464	957713129	/nfs/dbraw/zinc/71/31/29/957713129.db2.gz	KEMXAZMASMXLMK-GFCCVEGCSA-N	-1	0	291.282	0.472	20	30		CCEDRM
C#C[C@@H](NC(=O)[C@H]1CC(C(=O)[O-])=NO1)c1ccccc1	ZINC001588387368	957987746	/nfs/dbraw/zinc/98/77/46/957987746.db2.gz	HUSFSEBLGILNFR-ZYHUDNBSSA-N	-1	0	272.260	0.707	20	30		CCEDRM
C#CCC(CC#C)C(=O)N(CCOC)CC(=O)[O-]	ZINC001588389319	958007568	/nfs/dbraw/zinc/00/75/68/958007568.db2.gz	RGKHWTQPFARHPP-UHFFFAOYSA-N	-1	0	251.282	0.209	20	30		CCEDRM
C#CCCCCNC(=O)c1cccn(CC(=O)[O-])c1=O	ZINC001588390997	958019637	/nfs/dbraw/zinc/01/96/37/958019637.db2.gz	YZZDNXQDLKSCAJ-UHFFFAOYSA-N	-1	0	276.292	0.466	20	30		CCEDRM
C#CCC[C@H](O)CNC(=O)[C@@H]1CO[C@@H](CCC(=O)[O-])C1	ZINC001588391391	958022186	/nfs/dbraw/zinc/02/21/86/958022186.db2.gz	GXJQVYJIFCROJN-SRVKXCTJSA-N	-1	0	283.324	0.147	20	30		CCEDRM
C#CCC[C@H](O)CNC(=O)NCCCCC(=O)[O-]	ZINC001588391406	958024303	/nfs/dbraw/zinc/02/43/03/958024303.db2.gz	HHXIGGXFVVIPNV-JTQLQIEISA-N	-1	0	256.302	0.315	20	30		CCEDRM
C#CCC[C@@H](O)CNC(=O)NC[C@@H](C(=O)[O-])C(C)C	ZINC001588391561	958025605	/nfs/dbraw/zinc/02/56/05/958025605.db2.gz	JKFVQOHZRUMTFX-GHMZBOCLSA-N	-1	0	270.329	0.417	20	30		CCEDRM
C#CC[C@H]1CCCN(C(=O)[C@@H]2CC(C(=O)[O-])=NO2)C1	ZINC001588392299	958031225	/nfs/dbraw/zinc/03/12/25/958031225.db2.gz	XBGNNGVHUWAWNN-ONGXEEELSA-N	-1	0	264.281	0.478	20	30		CCEDRM
C#CCN(CC(=O)N[C@@H](C)CC(=O)[O-])C(=O)OC(C)(C)C	ZINC001588394368	958035123	/nfs/dbraw/zinc/03/51/23/958035123.db2.gz	BNCOCISZOCCZFA-JTQLQIEISA-N	-1	0	298.339	0.836	20	30		CCEDRM
COc1ccc(CN2CCOC[C@@H]2C(=O)[O-])cc1C#N	ZINC000088380478	958054758	/nfs/dbraw/zinc/05/47/58/958054758.db2.gz	UVFMRAZRHCCXBI-GFCCVEGCSA-N	-1	0	276.292	0.852	20	30		CCEDRM
C#CCN(CC(=O)[O-])C(=O)C(=O)c1ccccc1OC	ZINC001588397497	958057622	/nfs/dbraw/zinc/05/76/22/958057622.db2.gz	KALHFXFKEGKQSK-UHFFFAOYSA-N	-1	0	275.260	0.424	20	30		CCEDRM
C#CCN(CC(=O)[O-])C(=O)/C=C/c1cnc(OC)nc1	ZINC001588398584	958068510	/nfs/dbraw/zinc/06/85/10/958068510.db2.gz	ACBRFPKMBZPLJU-SNAWJCMRSA-N	-1	0	275.264	0.045	20	30		CCEDRM
N#Cc1ccc(NCCn2cc(C(=O)[O-])nn2)cc1	ZINC000089696802	958081538	/nfs/dbraw/zinc/08/15/38/958081538.db2.gz	NZEIWVMKUXVLGT-UHFFFAOYSA-N	-1	0	257.253	0.960	20	30		CCEDRM
C#CCN(CC(=O)[O-])C(=O)CNC(=O)NC1CCCCC1	ZINC001588402140	958089027	/nfs/dbraw/zinc/08/90/27/958089027.db2.gz	MBRBTJXZPVZSJN-UHFFFAOYSA-N	-1	0	295.339	0.165	20	30		CCEDRM
C#CCN(CC(=O)[O-])C(=O)N[C@H](C)C[C@@H]1CCOC1	ZINC001588406734	958096754	/nfs/dbraw/zinc/09/67/54/958096754.db2.gz	DIWKQDKMBPVBKR-MNOVXSKESA-N	-1	0	268.313	0.531	20	30		CCEDRM
C#CCN(CC(=O)[O-])C(=O)NCc1cncc(C)c1	ZINC001588408742	958116317	/nfs/dbraw/zinc/11/63/17/958116317.db2.gz	BIPVSPOMNMWEMI-UHFFFAOYSA-N	-1	0	261.281	0.619	20	30		CCEDRM
C#CCN(CC(=O)[O-])C(=O)NCc1cnc(Cl)cn1	ZINC001588408723	958116535	/nfs/dbraw/zinc/11/65/35/958116535.db2.gz	AKGHKBONZUYREX-UHFFFAOYSA-N	-1	0	282.687	0.359	20	30		CCEDRM
C#CCN(CC(=O)[O-])C(=O)N[C@H](C)c1noc(C)n1	ZINC001588409655	958130671	/nfs/dbraw/zinc/13/06/71/958130671.db2.gz	IOLHOIDOPGDLBZ-SSDOTTSWSA-N	-1	0	266.257	0.168	20	30		CCEDRM
C#CCN(CC(=O)[O-])C(=O)N[C@@H]1[C@@H]2CCCO[C@@H]2C1(C)C	ZINC001588410059	958135254	/nfs/dbraw/zinc/13/52/54/958135254.db2.gz	OPOXXVJYJDIKFL-UHTWSYAYSA-N	-1	0	294.351	0.919	20	30		CCEDRM
C#CCN(CC(=O)[O-])C(=O)N[C@@H]1[C@@H]2CCO[C@@H]2C1(C)C	ZINC001588410487	958139195	/nfs/dbraw/zinc/13/91/95/958139195.db2.gz	VVPHZMOSZZYZRI-WCQGTBRESA-N	-1	0	280.324	0.529	20	30		CCEDRM
C#CCN(CC(=O)[O-])C(=O)Nc1ccc(C2CC2)nn1	ZINC001588410938	958143855	/nfs/dbraw/zinc/14/38/55/958143855.db2.gz	AOMRTSCDVQUXLQ-UHFFFAOYSA-N	-1	0	274.280	0.906	20	30		CCEDRM
C[C@H](CC(=O)[O-])NS(=O)(=O)c1ccc(CC#N)cc1	ZINC000092130682	958158627	/nfs/dbraw/zinc/15/86/27/958158627.db2.gz	ZQMGEFKDGKQFSQ-SECBINFHSA-N	-1	0	282.321	0.894	20	30		CCEDRM
C#CCN(CC(=O)[O-])C(=O)Nc1nc2ccccn2n1	ZINC001588417197	958167822	/nfs/dbraw/zinc/16/78/22/958167822.db2.gz	AZJZHEQXCVBLPU-UHFFFAOYSA-N	-1	0	273.252	0.281	20	30		CCEDRM
C#CCN(CC(=O)[O-])C(=O)c1cnn2c1CCCC2	ZINC001588418507	958180934	/nfs/dbraw/zinc/18/09/34/958180934.db2.gz	JRLJEOKNVVGYTI-UHFFFAOYSA-N	-1	0	261.281	0.379	20	30		CCEDRM
C#CCN(CC(=O)[O-])C(=O)c1cnc(C(C)(C)C)nc1	ZINC001588418947	958187857	/nfs/dbraw/zinc/18/78/57/958187857.db2.gz	XDTPFVLJXYMRDI-UHFFFAOYSA-N	-1	0	275.308	0.934	20	30		CCEDRM
C#CCN(CC(=O)[O-])C(=O)c1ccc2[nH]ccc2n1	ZINC001588419138	958192565	/nfs/dbraw/zinc/19/25/65/958192565.db2.gz	SSRFQIYWPDISDQ-UHFFFAOYSA-N	-1	0	257.249	0.723	20	30		CCEDRM
C#CCN(CC(=O)[O-])[C@@H](C)C(=O)NCc1ccccc1F	ZINC001588419915	958196292	/nfs/dbraw/zinc/19/62/92/958196292.db2.gz	HVPFTRNXSAZUNH-NSHDSACASA-N	-1	0	292.310	0.850	20	30		CCEDRM
C#CCN(CC(=O)[O-])CC(=O)N(C)c1nccs1	ZINC001588420104	958198013	/nfs/dbraw/zinc/19/80/13/958198013.db2.gz	LUAOMYQLVBAWBF-UHFFFAOYSA-N	-1	0	267.310	0.126	20	30		CCEDRM
C#CCN(CC(=O)[O-])Cc1ccc([S@@](C)=O)cc1	ZINC001588423942	958209012	/nfs/dbraw/zinc/20/90/12/958209012.db2.gz	HVRIWTCUQFNNAL-GOSISDBHSA-N	-1	0	265.334	0.944	20	30		CCEDRM
C#CCN(CC(=O)[O-])C[C@H](OC)C1CCOCC1	ZINC001588424357	958216685	/nfs/dbraw/zinc/21/66/85/958216685.db2.gz	PFJDJJUXEHEXRJ-LBPRGKRZSA-N	-1	0	255.314	0.448	20	30		CCEDRM
C#CCN(CC(=O)[O-])Cc1cc(C(=O)OCC)n[nH]1	ZINC001588424700	958217509	/nfs/dbraw/zinc/21/75/09/958217509.db2.gz	WILBRKCMJQIYEP-UHFFFAOYSA-N	-1	0	265.269	0.106	20	30		CCEDRM
C#CCN(CC(=O)[O-])Cc1nccn1CC(F)(F)F	ZINC001588425591	958228088	/nfs/dbraw/zinc/22/80/88/958228088.db2.gz	ZEGYXNBBQSTCIN-UHFFFAOYSA-N	-1	0	275.230	0.965	20	30		CCEDRM
C#CCN(CC(=O)[O-])c1nnc([C@H](C)O)n1CC(C)C	ZINC001588426792	958233468	/nfs/dbraw/zinc/23/34/68/958233468.db2.gz	CDCHODZAQNFKIR-JTQLQIEISA-N	-1	0	280.328	0.512	20	30		CCEDRM
C#CCN(CC(=O)[O-])c1nnnn1CCc1ccco1	ZINC001588426777	958234398	/nfs/dbraw/zinc/23/43/98/958234398.db2.gz	BNMIMCIOJBZRBG-UHFFFAOYSA-N	-1	0	275.268	0.033	20	30		CCEDRM
C#CCN(CC(=O)[O-])c1nnnn1CCC1CCOCC1	ZINC001588427062	958239043	/nfs/dbraw/zinc/23/90/43/958239043.db2.gz	LDNHFGQYSBLDQB-UHFFFAOYSA-N	-1	0	293.327	0.014	20	30		CCEDRM
C#CCN(CC(=O)[O-])c1nnc([C@@H]2CCC[C@H](O)C2)n1C	ZINC001588427296	958243543	/nfs/dbraw/zinc/24/35/43/958243543.db2.gz	SIRGPRHDZDUWLM-MNOVXSKESA-N	-1	0	292.339	0.358	20	30		CCEDRM
C#CCN(CC(=O)[O-])c1nnc(C(F)F)n1CCOC	ZINC001588427461	958246452	/nfs/dbraw/zinc/24/64/52/958246452.db2.gz	YSLHOKQGGFVELF-UHFFFAOYSA-N	-1	0	288.254	0.386	20	30		CCEDRM
C#CCOCCC(=O)N1CC[C@H](C)[C@@H](C(=O)[O-])C1	ZINC001588430672	958260505	/nfs/dbraw/zinc/26/05/05/958260505.db2.gz	FQWVEGSLTCUCQT-QWRGUYRKSA-N	-1	0	253.298	0.596	20	30		CCEDRM
C=C(C)CN(CC)C(=O)COC(=O)[C@@H](C)C(=O)[O-]	ZINC001588439963	958325590	/nfs/dbraw/zinc/32/55/90/958325590.db2.gz	JMQIBQWKKVSQNN-VIFPVBQESA-N	-1	0	257.286	0.675	20	30		CCEDRM
C=C(C)C[C@@H](CO)NC(=O)C1(C(=O)[O-])CC=CC1	ZINC001588441066	958333496	/nfs/dbraw/zinc/33/34/96/958333496.db2.gz	DRDKXVZRJYVRLU-JTQLQIEISA-N	-1	0	253.298	0.851	20	30		CCEDRM
C=CC(C)(C)COC(=O)c1cn(CC(=O)[O-])nn1	ZINC001588450384	958390065	/nfs/dbraw/zinc/39/00/65/958390065.db2.gz	IBJNXBBGRBJFIF-UHFFFAOYSA-N	-1	0	253.258	0.732	20	30		CCEDRM
C=CCC[C@H](CO)NC(=O)C1(CC(=O)[O-])CCOCC1	ZINC001588457330	958447798	/nfs/dbraw/zinc/44/77/98/958447798.db2.gz	VJWUWLZBHLEUCG-LLVKDONJSA-N	-1	0	285.340	0.701	20	30		CCEDRM
C=CCC1(O)CN(C(=O)[C@]2(C(=O)[O-])CC=CCC2)C1	ZINC001588457959	958456980	/nfs/dbraw/zinc/45/69/80/958456980.db2.gz	NKSHTEAIUVASTD-AWEZNQCLSA-N	-1	0	265.309	0.947	20	30		CCEDRM
C=CCCOCCn1nnnc1N1CCC[C@H](C(=O)[O-])C1	ZINC001588460673	958478165	/nfs/dbraw/zinc/47/81/65/958478165.db2.gz	RNXDTZGPFLKCAQ-NSHDSACASA-N	-1	0	295.343	0.567	20	30		CCEDRM
C#CCNC(=O)C1CCN(C(=O)[C@@H]2CC[C@H]2C(=O)[O-])CC1	ZINC001573327547	958489315	/nfs/dbraw/zinc/48/93/15/958489315.db2.gz	PZCKIZBPCINROA-VXGBXAGGSA-N	-1	0	292.335	0.085	20	30		CCEDRM
C=CCOC[C@H]1NC(=O)N(CCC(C)(C)C(=O)[O-])C1=O	ZINC001588465189	958498005	/nfs/dbraw/zinc/49/80/05/958498005.db2.gz	PFYSKTPMLQMSRU-SECBINFHSA-N	-1	0	284.312	0.610	20	30		CCEDRM
C=CCOCCOC(=O)c1cnc(C(=O)[O-])cn1	ZINC001588466358	958510226	/nfs/dbraw/zinc/51/02/26/958510226.db2.gz	LOEWJYVLQKTJHV-UHFFFAOYSA-N	-1	0	252.226	0.534	20	30		CCEDRM
C=CC[C@@H](CO)CNC(=O)c1cc(C(=O)[O-])n[nH]1	ZINC001573330007	958515270	/nfs/dbraw/zinc/51/52/70/958515270.db2.gz	RPVQNYLTRHGHQG-SSDOTTSWSA-N	-1	0	253.258	0.022	20	30		CCEDRM
C=CCn1c(N2CC[C@@H](C(=O)[O-])C2)nnc1C(C)(C)O	ZINC001588472123	958540655	/nfs/dbraw/zinc/54/06/55/958540655.db2.gz	JUNAFAJRUBCRTD-SECBINFHSA-N	-1	0	280.328	0.602	20	30		CCEDRM
C=CCn1c(CO)nnc1N1CC[C@@H](C)[C@@H](C(=O)[O-])C1	ZINC001588472623	958545338	/nfs/dbraw/zinc/54/53/38/958545338.db2.gz	QDDSBSKUUYFALN-ZJUUUORDSA-N	-1	0	280.328	0.503	20	30		CCEDRM
C=CCn1c([C@@H](C)O)nnc1N1CCC[C@@H](C(=O)[O-])C1	ZINC001588475351	958562735	/nfs/dbraw/zinc/56/27/35/958562735.db2.gz	YUAGCZYAJJYAPW-NXEZZACHSA-N	-1	0	280.328	0.818	20	30		CCEDRM
C=C[C@@H]1OCC[C@H]1NC(=O)C1(CC(=O)[O-])CCOCC1	ZINC001588478372	958565007	/nfs/dbraw/zinc/56/50/07/958565007.db2.gz	JNVHWOHGHPDKMH-MNOVXSKESA-N	-1	0	283.324	0.718	20	30		CCEDRM
C=C[C@@H]1OCC[C@H]1Cn1nnnc1N(C)C[C@H](C)C(=O)[O-]	ZINC001588478858	958573501	/nfs/dbraw/zinc/57/35/01/958573501.db2.gz	YTJUAWMVGCWDIT-DCAQKATOSA-N	-1	0	295.343	0.421	20	30		CCEDRM
CC#CC[C@@H](CO)NC(=O)/C=C/c1ccc(C(=O)[O-])o1	ZINC001588478908	958575285	/nfs/dbraw/zinc/57/52/85/958575285.db2.gz	PAPSRAYYNGXRPA-PCGIRMHASA-N	-1	0	277.276	0.882	20	30		CCEDRM
CC(=NNC[C@@H]1CCSC1)c1cn(CC(=O)[O-])nn1	ZINC001588485630	958603550	/nfs/dbraw/zinc/60/35/50/958603550.db2.gz	AYUNNDYUGORAKN-VIFPVBQESA-N	-1	0	283.357	0.429	20	30		CCEDRM
CC(N=Nc1ccncc1F)c1cn(CC(=O)[O-])nn1	ZINC001588485726	958605029	/nfs/dbraw/zinc/60/50/29/958605029.db2.gz	HEBJGWFRCKRFJV-UHFFFAOYSA-N	-1	0	278.247	0.155	20	30		CCEDRM
C[C@@](C#N)(CC(=O)[O-])C(=O)NCc1cnc2n1CCOC2	ZINC001573363751	958609380	/nfs/dbraw/zinc/60/93/80/958609380.db2.gz	LNOFJSYSATWDMD-ZDUSSCGKSA-N	-1	0	292.295	0.034	20	30		CCEDRM
C[C@](C#N)(CC(=O)[O-])C(=O)N[C@@H](CO)C[C@@H]1CCCO1	ZINC001573365054	958619530	/nfs/dbraw/zinc/61/95/30/958619530.db2.gz	RROYLECLPLNZFQ-GBIKHYSHSA-N	-1	0	284.312	0.037	20	30		CCEDRM
C[C@](C#N)(CC(=O)[O-])C(=O)OC[C@@H]1CCC2(COC2)O1	ZINC001588540020	958956085	/nfs/dbraw/zinc/95/60/85/958956085.db2.gz	MKTPQONKSQMVQC-JOYOIKCWSA-N	-1	0	283.280	0.482	20	30		CCEDRM
C[C@@H](C(=O)N1CCC[C@@]1(C)C(=O)[O-])n1cnc(C#N)n1	ZINC001588547001	959001162	/nfs/dbraw/zinc/00/11/62/959001162.db2.gz	FBDHFBQYFDVZIG-UFBFGSQYSA-N	-1	0	277.284	0.176	20	30		CCEDRM
CC(C)[C@H](C(=O)[O-])C(=O)NCc1cncc(C#N)c1	ZINC001573489913	959009694	/nfs/dbraw/zinc/00/96/94/959009694.db2.gz	QEFWFFAMPIJEJD-NSHDSACASA-N	-1	0	261.281	0.926	20	30		CCEDRM
C#CC[C@@H](NC(=O)c1cccc(Cl)n1)C(=O)[O-]	ZINC000149768647	959025337	/nfs/dbraw/zinc/02/53/37/959025337.db2.gz	YPBAQLZORTVMQG-MRVPVSSYSA-N	-1	0	252.657	0.941	20	30		CCEDRM
C#CC[C@H](NC(=O)COc1ccc([N+](=O)[O-])cc1)C(=O)[O-]	ZINC000149732535	959026512	/nfs/dbraw/zinc/02/65/12/959026512.db2.gz	LABYHDDBCYRWIS-NSHDSACASA-N	-1	0	292.247	0.566	20	30		CCEDRM
C[C@](C#N)(CC(=O)[O-])C(=O)NCCOC1CCOCC1	ZINC001588557215	959065194	/nfs/dbraw/zinc/06/51/94/959065194.db2.gz	GRQCPXGOZJXIQN-CYBMUJFWSA-N	-1	0	284.312	0.303	20	30		CCEDRM
C#C[C@H](C)NS(=O)(=O)c1cc(C(=O)[O-])cs1	ZINC000166342482	959304853	/nfs/dbraw/zinc/30/48/53/959304853.db2.gz	LEHQTXWHSPTZMN-LURJTMIESA-N	-1	0	259.308	0.746	20	30		CCEDRM
C[C@@H](CN(C)S(=O)(=O)c1ccc(C#N)cn1)C(=O)[O-]	ZINC001573588499	959382040	/nfs/dbraw/zinc/38/20/40/959382040.db2.gz	NLTSPOXRWYIZND-QMMMGPOBSA-N	-1	0	283.309	0.294	20	30		CCEDRM
C[C@@H](C(=O)[O-])c1noc(C2(C#N)CCOCC2)n1	ZINC001588603082	959451238	/nfs/dbraw/zinc/45/12/38/959451238.db2.gz	MPOWPACPFSUSHI-SSDOTTSWSA-N	-1	0	251.242	0.829	20	30		CCEDRM
Cc1c(C#N)c(=O)n(Cc2ccc(C(=O)[O-])cc2)c(=O)n1C	ZINC001594252901	959627560	/nfs/dbraw/zinc/62/75/60/959627560.db2.gz	JMFYPGYYRSTUJO-UHFFFAOYSA-N	-1	0	299.286	0.474	20	30		CCEDRM
Cc1c(C(=O)N2CC[C@@H](C(=O)[O-])C2)cnn1CCC#N	ZINC001594255844	959646815	/nfs/dbraw/zinc/64/68/15/959646815.db2.gz	OPFMHIIZSLRACP-SNVBAGLBSA-N	-1	0	276.296	0.652	20	30		CCEDRM
CC(C)[C@@](C)(C#N)NC(=O)[C@H](C)OC(=O)[C@@H](C)C(=O)[O-]	ZINC001603268199	972464210	/nfs/dbraw/zinc/46/42/10/972464210.db2.gz	FQKFSFLLBFFJTO-MWODSPESSA-N	-1	0	284.312	0.693	20	30		CCEDRM
C[C@@H]1CCN(C(=O)Nc2nn(C)cc2C#N)C[C@H]1C(=O)[O-]	ZINC001573735954	960434640	/nfs/dbraw/zinc/43/46/40/960434640.db2.gz	MDKLUYFUVAHOON-PSASIEDQSA-N	-1	0	291.311	0.866	20	30		CCEDRM
N#Cc1csc(CNC(=O)N2CCO[C@H](C(=O)[O-])C2)n1	ZINC001574248035	960494850	/nfs/dbraw/zinc/49/48/50/960494850.db2.gz	ACMWZDFIRCRQJJ-QMMMGPOBSA-N	-1	0	296.308	0.010	20	30		CCEDRM
N#Cc1csc(CNS(=O)(=O)CCCC(=O)[O-])n1	ZINC001571035223	960522756	/nfs/dbraw/zinc/52/27/56/960522756.db2.gz	CPOGWKYFHPDAJV-UHFFFAOYSA-N	-1	0	289.338	0.299	20	30		CCEDRM
CC[C@@H](CNS(=O)(=O)c1ccc(C#N)cn1)C(=O)[O-]	ZINC001573804955	960849339	/nfs/dbraw/zinc/84/93/39/960849339.db2.gz	BKMYWZGJTDBGGZ-VIFPVBQESA-N	-1	0	283.309	0.342	20	30		CCEDRM
Cc1ccc(CNC(=O)[C@](C)(C#N)CC(=O)[O-])n1C	ZINC001574367007	961044775	/nfs/dbraw/zinc/04/47/75/961044775.db2.gz	VQTOGBQPCJVPOY-ZDUSSCGKSA-N	-1	0	263.297	0.954	20	30		CCEDRM
Cn1nc(C(=O)[O-])cc1C(=O)Nc1cc(C#N)ccn1	ZINC001574466522	961571320	/nfs/dbraw/zinc/57/13/20/961571320.db2.gz	AQGNCOWEWNYECE-UHFFFAOYSA-N	-1	0	271.236	0.637	20	30		CCEDRM
Cn1nccc1[C@H](NCc1cc(C#N)ccn1)C(=O)[O-]	ZINC001574472555	961609822	/nfs/dbraw/zinc/60/98/22/961609822.db2.gz	NJGHQDYUWPOZIX-LBPRGKRZSA-N	-1	0	271.280	0.602	20	30		CCEDRM
N#C[C@H]1CC[C@@H](NC(=O)c2cccn(CC(=O)[O-])c2=O)C1	ZINC001574479122	961646691	/nfs/dbraw/zinc/64/66/91/961646691.db2.gz	DIYQCSXSMSXVGJ-VHSXEESVSA-N	-1	0	289.291	0.355	20	30		CCEDRM
N#C[C@H]1CC[C@@H](NC(=O)N[C@H]2C[C@@H](C(=O)[O-])C2)C1	ZINC001574479138	961647494	/nfs/dbraw/zinc/64/74/94/961647494.db2.gz	DWGRKOWONKARPH-AXTSPUMRSA-N	-1	0	251.286	0.841	20	30		CCEDRM
N#Cc1c(NC(=O)[C@H]2CC[C@H]2C(=O)[O-])nc2n1CCS2	ZINC001574479274	961648716	/nfs/dbraw/zinc/64/87/16/961648716.db2.gz	HGJIBMFJLZOHTE-NKWVEPMBSA-N	-1	0	292.320	0.910	20	30		CCEDRM
N#CC1(CNC(=O)c2cc(C(=O)[O-])n[nH]2)CCOCC1	ZINC001574480614	961666084	/nfs/dbraw/zinc/66/60/84/961666084.db2.gz	NHUCZDJDNDCPSG-UHFFFAOYSA-N	-1	0	278.268	0.158	20	30		CCEDRM
N#CCCN(CCC#N)C(=O)CN(CC(=O)[O-])C1CCC1	ZINC001574480996	961667401	/nfs/dbraw/zinc/66/74/01/961667401.db2.gz	SIPXBXBQKRBJLZ-UHFFFAOYSA-N	-1	0	292.339	0.581	20	30		CCEDRM
N#CC1CCC(CNC(=O)[C@H]2CC(C(=O)[O-])=NO2)CC1	ZINC001574481002	961667568	/nfs/dbraw/zinc/66/75/68/961667568.db2.gz	SLGDQFLKVMFULV-NWGYLPEXSA-N	-1	0	279.296	0.662	20	30		CCEDRM
N#CCC1(CNC(=O)c2cccn(CC(=O)[O-])c2=O)CC1	ZINC001574480985	961668112	/nfs/dbraw/zinc/66/81/12/961668112.db2.gz	SDDNBBRGXUDABA-UHFFFAOYSA-N	-1	0	289.291	0.357	20	30		CCEDRM
N#C[C@]1(NC(=O)c2cc(C(=O)[O-])n[nH]2)CCSC1	ZINC001574481319	961671173	/nfs/dbraw/zinc/67/11/73/961671173.db2.gz	YWFWPTVQJBGVRV-SNVBAGLBSA-N	-1	0	266.282	0.237	20	30		CCEDRM
N#Cc1ccc(F)cc1N1CCOC[C@@H]1C(=O)[O-]	ZINC001574487685	961688224	/nfs/dbraw/zinc/68/82/24/961688224.db2.gz	FLOIPUJCZIEUTH-LLVKDONJSA-N	-1	0	250.229	0.987	20	30		CCEDRM
CCc1nc(C#N)cc(N(CCC(=O)OC)CC(=O)[O-])n1	ZINC001573963405	961698534	/nfs/dbraw/zinc/69/85/34/961698534.db2.gz	SSILNJIDZYIJKR-UHFFFAOYSA-N	-1	0	292.295	0.365	20	30		CCEDRM
N#Cc1cccc([C@@H](O)CN2CCOC[C@H]2C(=O)[O-])c1	ZINC001574490065	961710249	/nfs/dbraw/zinc/71/02/49/961710249.db2.gz	TWZJBNWYLCXQHD-STQMWFEESA-N	-1	0	276.292	0.377	20	30		CCEDRM
COC(=O)C1(C#N)CCN(C(=O)[C@@H]2CC[C@H]2C(=O)[O-])CC1	ZINC001574046732	962117592	/nfs/dbraw/zinc/11/75/92/962117592.db2.gz	MERPAFIWKODXTA-NXEZZACHSA-N	-1	0	294.307	0.403	20	30		CCEDRM
COC[C@@]1(C(=O)[O-])CN(C(=O)c2ccc(C#N)o2)CCO1	ZINC001574145536	962612043	/nfs/dbraw/zinc/61/20/43/962612043.db2.gz	GCVOSOXWKQBFAY-CYBMUJFWSA-N	-1	0	294.263	0.093	20	30		CCEDRM
C#CC[C@@H](NC(=O)[C@@H](O)c1ccc(C#N)cc1)C(=O)[O-]	ZINC001573302848	962663091	/nfs/dbraw/zinc/66/30/91/962663091.db2.gz	RFXHDTBKDJXUJT-NEPJUHHUSA-N	-1	0	272.260	0.184	20	30		CCEDRM
C#CC[C@@H](NC(=O)c1cc([N+](=O)[O-])cc(C)n1)C(=O)[O-]	ZINC001573303781	962681723	/nfs/dbraw/zinc/68/17/23/962681723.db2.gz	SOFKBDLDBBBOMY-SECBINFHSA-N	-1	0	277.236	0.505	20	30		CCEDRM
C#CCO[C@H](C)C(=O)N[C@H]1CC[C@@H](CC(=O)[O-])C1	ZINC001573310717	962688346	/nfs/dbraw/zinc/68/83/46/962688346.db2.gz	BPOUSXNJTISZKR-MXWKQRLJSA-N	-1	0	253.298	0.784	20	30		CCEDRM
C=C(C)C[C@H](C)C(=O)N[C@H](C)CNC(=O)CNC(=O)[O-]	ZINC001573322242	962767288	/nfs/dbraw/zinc/76/72/88/962767288.db2.gz	WSWLAHOLENKFLE-VHSXEESVSA-N	-1	0	285.344	0.477	20	30		CCEDRM
C=C(CCC(=O)[O-])C(=O)N(C)[C@H](COCC)C(=O)OC	ZINC001573325159	962794846	/nfs/dbraw/zinc/79/48/46/962794846.db2.gz	FPYANQIOLDSWOJ-SNVBAGLBSA-N	-1	0	287.312	0.444	20	30		CCEDRM
C=C(CCC(=O)[O-])C(=O)N1CCC(C#N)(C(=O)OC)CC1	ZINC001573331912	962820892	/nfs/dbraw/zinc/82/08/92/962820892.db2.gz	DRRHLJKPVQXTQU-UHFFFAOYSA-N	-1	0	294.307	0.713	20	30		CCEDRM
C=C(Cl)CN1CCCN(C(=O)[C@H]2C[C@H]2C(=O)[O-])CC1	ZINC001573338730	962879367	/nfs/dbraw/zinc/87/93/67/962879367.db2.gz	HGPREQPMSJWGEM-WDEREUQCSA-N	-1	0	286.759	0.994	20	30		CCEDRM
C=C[C@@H](CC)CC(=O)NCCNc1ccnc(C(=O)[O-])n1	ZINC001573346574	962940531	/nfs/dbraw/zinc/94/05/31/962940531.db2.gz	CTEAAHLAHGAWOS-JTQLQIEISA-N	-1	0	292.339	0.727	20	30		CCEDRM
C=C[C@@](C)(O)CC(=O)N[C@@]1(CC(=O)[O-])CCCOC1	ZINC001573347793	962951439	/nfs/dbraw/zinc/95/14/39/962951439.db2.gz	OFADYRRJUSMYRH-CHWSQXEVSA-N	-1	0	271.313	0.454	20	30		CCEDRM
C=CCCC(=O)N[C@H]1C[C@@H](NC(=O)[C@@H]2C[C@@H]2C(=O)[O-])C1	ZINC001573352951	962994517	/nfs/dbraw/zinc/99/45/17/962994517.db2.gz	NDTPOXYXRQEJTN-YTWAJWBKSA-N	-1	0	280.324	0.437	20	30		CCEDRM
C=CCCC(=O)NC[C@H](NC(=O)CNC(=O)[O-])C(C)C	ZINC001573353026	962996511	/nfs/dbraw/zinc/99/65/11/962996511.db2.gz	ODHYBIIJRWECIN-JTQLQIEISA-N	-1	0	285.344	0.477	20	30		CCEDRM
CC(=O)N[C@@H](C[S@](=O)CCC(C)(C)C#N)C(=O)[O-]	ZINC000300450700	963011340	/nfs/dbraw/zinc/01/13/40/963011340.db2.gz	ZDICIVGDDYIGLS-NIVTXAMTSA-N	-1	0	274.342	0.264	20	30		CCEDRM
C[C@@H](CC#N)NS(=O)(=O)c1occc1C(=O)[O-]	ZINC001570980553	963085364	/nfs/dbraw/zinc/08/53/64/963085364.db2.gz	UUHNLSUUXQQIHU-LURJTMIESA-N	-1	0	258.255	0.558	20	30		CCEDRM
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CC[C@@](COC)(NC(=O)c1c[nH]c(C#N)c1)C(=O)[O-]	ZINC001570984924	963114909	/nfs/dbraw/zinc/11/49/09/963114909.db2.gz	NSVFWNROWYXUGR-LBPRGKRZSA-N	-1	0	265.269	0.496	20	30		CCEDRM
CC(=O)CCCC(=O)N1CCC(C#N)(C(=O)[O-])CC1	ZINC001570986855	963121505	/nfs/dbraw/zinc/12/15/05/963121505.db2.gz	DKUDQEIWWKPOHF-UHFFFAOYSA-N	-1	0	266.297	0.963	20	30		CCEDRM
CC(C)(C(=O)[O-])n1cc(NC(=O)[C@@H]2C[C@@H]2C#N)cn1	ZINC001573407342	963148619	/nfs/dbraw/zinc/14/86/19/963148619.db2.gz	ISSHFHWDWKYKMV-VXNVDRBHSA-N	-1	0	262.269	0.801	20	30		CCEDRM
CCc1nc(C#N)cc(NC[C@@]2(C(=O)[O-])CCOC2)n1	ZINC001571005773	963243720	/nfs/dbraw/zinc/24/37/20/963243720.db2.gz	ZLQOHVNDXAQJIE-ZDUSSCGKSA-N	-1	0	276.296	0.814	20	30		CCEDRM
Cc1onc(CC(=O)N2C[C@@H](C)[C@H](C(=O)[O-])C2)c1C#N	ZINC001571006155	963252578	/nfs/dbraw/zinc/25/25/78/963252578.db2.gz	VJIFEQVSGIPKBQ-GMSGAONNSA-N	-1	0	277.280	0.576	20	30		CCEDRM
Cc1nc(C#N)cc(N2CCO[C@@H](CC(=O)[O-])C2)n1	ZINC000308145386	963260935	/nfs/dbraw/zinc/26/09/35/963260935.db2.gz	AALHNRMSVWRSMV-JTQLQIEISA-N	-1	0	262.269	0.337	20	30		CCEDRM
N#Cc1ccc(CNC(=O)Cn2ccc(C(=O)[O-])n2)cc1	ZINC001571021905	963344410	/nfs/dbraw/zinc/34/44/10/963344410.db2.gz	BEPORKGJXFMDMZ-UHFFFAOYSA-N	-1	0	284.275	0.769	20	30		CCEDRM
Cc1nnc(C2CN(c3ccc(C(=O)[O-])nc3C#N)C2)[nH]1	ZINC001571022187	963345770	/nfs/dbraw/zinc/34/57/70/963345770.db2.gz	DFWMJXWURUMQLG-UHFFFAOYSA-N	-1	0	284.279	0.682	20	30		CCEDRM
CC(=O)N[C@H](C(=O)N1CCC(C#N)(C(=O)[O-])CC1)C(C)C	ZINC001573416906	964025920	/nfs/dbraw/zinc/02/59/20/964025920.db2.gz	DGYZAOMDNAWBFR-NSHDSACASA-N	-1	0	295.339	0.364	20	30		CCEDRM
C#CCCCC(=O)Nc1[nH]nc(OCCO)c1C(=O)[O-]	ZINC001588439520	964029433	/nfs/dbraw/zinc/02/94/33/964029433.db2.gz	BEMNPTVUFKFGJZ-UHFFFAOYSA-N	-1	0	281.268	0.221	20	30		CCEDRM
C=C(C)C[C@@H](NC(C)=O)C(=O)N1CC(C(=O)[O-])C1	ZINC001588443027	964060360	/nfs/dbraw/zinc/06/03/60/964060360.db2.gz	XNWCZNPLLGRBCY-SNVBAGLBSA-N	-1	0	254.286	0.000	20	30		CCEDRM
C#CCN(CC(=O)[O-])C(=O)N[C@H]1CCO[C@@H](C)C1	ZINC000235587302	967766403	/nfs/dbraw/zinc/76/64/03/967766403.db2.gz	VURTZWHOXNTFTJ-UWVGGRQHSA-N	-1	0	254.286	0.283	20	30		CCEDRM
C[C@@H]1C[C@H](C(=O)[O-])CN(C(=O)CSCC#N)C1	ZINC000398967812	968286399	/nfs/dbraw/zinc/28/63/99/968286399.db2.gz	YMIHBZMRZIYTQX-BDAKNGLRSA-N	-1	0	256.327	0.812	20	30		CCEDRM
CC#CCN1CCC[C@@H](NC(=O)C(F)(F)F)[C@H]1C(=O)[O-]	ZINC001588478499	969884096	/nfs/dbraw/zinc/88/40/96/969884096.db2.gz	CSTVUOVPUDSOKN-BDAKNGLRSA-N	-1	0	292.257	0.606	20	30		CCEDRM
CC(=NNCCC(=O)[O-])c1ccc(N)c([N+](=O)[O-])c1	ZINC001609645851	970434026	/nfs/dbraw/zinc/43/40/26/970434026.db2.gz	STWCFTABZPQFSJ-UHFFFAOYSA-N	-1	0	266.257	0.965	20	30		CCEDRM
C[C@@H]1CC[C@H](C(=O)[O-])N1C(=O)c1cc(C#N)cn1C	ZINC001605005116	972611423	/nfs/dbraw/zinc/61/14/23/972611423.db2.gz	XEEJUWFIIFNWKI-PSASIEDQSA-N	-1	0	261.281	0.974	20	30		CCEDRM
C=CC[C@@H](CC)NS(=O)(=O)c1cnn(CC(=O)[O-])c1	ZINC000393783942	972640234	/nfs/dbraw/zinc/64/02/34/972640234.db2.gz	YESPHLWAIBKXBA-SECBINFHSA-N	-1	0	287.341	0.601	20	30		CCEDRM
CN1CCN(C(=O)[C@](C)(C#N)CC(=O)[O-])CC1(C)C	ZINC001604221406	972714341	/nfs/dbraw/zinc/71/43/41/972714341.db2.gz	QPRKTHOGLVFRJG-ZDUSSCGKSA-N	-1	0	267.329	0.544	20	30		CCEDRM
C[N@@H+]1C[C@@H]2CCCN(C(=O)[C@](C)(C#N)CC(=O)[O-])[C@@H]2C1	ZINC001604231658	972736670	/nfs/dbraw/zinc/73/66/70/972736670.db2.gz	ZSDPTFLYELRILR-WDMOLILDSA-N	-1	0	279.340	0.544	20	30		CCEDRM
COC(=O)[C@H](CNC(=O)[C@@](C)(C#N)CC(=O)[O-])CC(C)C	ZINC001604268069	972815226	/nfs/dbraw/zinc/81/52/26/972815226.db2.gz	QMPWNTPCMQDLNN-IINYFYTJSA-N	-1	0	298.339	0.942	20	30		CCEDRM
COC(=O)CCN(CC(=O)[O-])C(=O)C1(C#N)CCC1	ZINC001604303626	972949400	/nfs/dbraw/zinc/94/94/00/972949400.db2.gz	ULIDNRGGCVLRLT-UHFFFAOYSA-N	-1	0	268.269	0.157	20	30		CCEDRM
CO[C@@H](C(=O)[O-])C(=O)N1CCc2ccc(C#N)cc21	ZINC001604422930	973197061	/nfs/dbraw/zinc/19/70/61/973197061.db2.gz	AYEWYVFDGHVQCV-LLVKDONJSA-N	-1	0	260.249	0.547	20	30		CCEDRM
CO[C@@H](C(=O)[O-])C(=O)Oc1ccc(C#N)cc1F	ZINC001604445675	973260424	/nfs/dbraw/zinc/26/04/24/973260424.db2.gz	LINIUEHDXGEXJQ-VIFPVBQESA-N	-1	0	253.185	0.702	20	30		CCEDRM
CO[C@](C)(C(=O)[O-])C(=O)OCCOc1ccccc1C#N	ZINC001604463341	973322103	/nfs/dbraw/zinc/32/21/03/973322103.db2.gz	VWEOIAOJHPIKRZ-CQSZACIVSA-N	-1	0	293.275	0.970	20	30		CCEDRM
CO[C@@](C)(C(=O)[O-])C(=O)Nc1ccc(C#N)c(C)n1	ZINC001604464410	973335128	/nfs/dbraw/zinc/33/51/28/973335128.db2.gz	QFAVKIXKRJAWCW-GFCCVEGCSA-N	-1	0	263.253	0.690	20	30		CCEDRM
COCC#CC(=O)N[C@H](C(=O)[O-])c1ccc(F)cc1	ZINC001604505013	973431742	/nfs/dbraw/zinc/43/17/42/973431742.db2.gz	MPOGZEWNPFCFQV-LBPRGKRZSA-N	-1	0	265.240	0.717	20	30		CCEDRM
CC[C@@H](C(=O)[O-])N(C)C(=O)Cc1noc(C)c1C#N	ZINC001603492430	973438653	/nfs/dbraw/zinc/43/86/53/973438653.db2.gz	ORHOCNRTOYDDSQ-JTQLQIEISA-N	-1	0	265.269	0.719	20	30		CCEDRM
Cc1nccc(COC(=O)[C@@](C)(C#N)CC(=O)[O-])n1	ZINC001605425038	973459538	/nfs/dbraw/zinc/45/95/38/973459538.db2.gz	QKKOAWJHXHGXTC-GFCCVEGCSA-N	-1	0	263.253	0.833	20	30		CCEDRM
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CC[C@@H](CC#N)OC(=O)c1cccn(CC(=O)[O-])c1=O	ZINC001603515946	973525467	/nfs/dbraw/zinc/52/54/67/973525467.db2.gz	JCTAXDFWSWRTLS-VIFPVBQESA-N	-1	0	278.264	0.782	20	30		CCEDRM
COCc1cc(C#N)ccc1N1CCO[C@H](C(=O)[O-])C1	ZINC001604640792	973773198	/nfs/dbraw/zinc/77/31/98/973773198.db2.gz	NSDHGVQKZASTJM-ZDUSSCGKSA-N	-1	0	276.292	0.994	20	30		CCEDRM
N#CC[C@]1(O)CCN(C(=O)C2(CC(=O)[O-])CCC2)C1	ZINC001605581606	973858625	/nfs/dbraw/zinc/85/86/25/973858625.db2.gz	DECFWZXNTGGPFC-ZDUSSCGKSA-N	-1	0	266.297	0.508	20	30		CCEDRM
N#CCCCC(=O)O[C@H]1CCCCN(CC(=O)[O-])C1=O	ZINC001605581596	973858805	/nfs/dbraw/zinc/85/88/05/973858805.db2.gz	DADHUNQAOREFGS-JTQLQIEISA-N	-1	0	282.296	0.689	20	30		CCEDRM
N#C[C@@]1(F)CCN(C(=O)C2(C(=O)[O-])CCOCC2)C1	ZINC001605582854	973868880	/nfs/dbraw/zinc/86/88/80/973868880.db2.gz	GLVIHSKCUMWRON-NSHDSACASA-N	-1	0	270.260	0.332	20	30		CCEDRM
N#CCCn1ccc(NC(=O)[C@@H]2CC[C@H]2C(=O)[O-])n1	ZINC001605585882	973879003	/nfs/dbraw/zinc/87/90/03/973879003.db2.gz	KXMZVFWVIVCIIE-RKDXNWHRSA-N	-1	0	262.269	0.846	20	30		CCEDRM
N#Cc1cccc(C2(C(=O)OCC(=O)C(=O)[O-])CC2)c1	ZINC001605617698	973937068	/nfs/dbraw/zinc/93/70/68/973937068.db2.gz	VDOYTHXWMDSSFB-UHFFFAOYSA-N	-1	0	273.244	0.787	20	30		CCEDRM
CCO[C@@H]1C[C@H](NC(=O)[C@](C)(C#N)CC(=O)[O-])[C@H]1OC	ZINC001603825210	974319996	/nfs/dbraw/zinc/31/99/96/974319996.db2.gz	FHMFCEYLCZEPRK-JQEKQURRSA-N	-1	0	284.312	0.300	20	30		CCEDRM
C[C@@H](CC#N)NS(=O)(=O)CC1(C(=O)[O-])CCCC1	ZINC001592221452	977399524	/nfs/dbraw/zinc/39/95/24/977399524.db2.gz	HAVBKIYXXCMMCU-VIFPVBQESA-N	-1	0	274.342	0.853	20	30		CCEDRM
C[C@H](CC#N)C(=O)O[C@@H]1CCN(CCC(=O)[O-])C1=O	ZINC001592221636	977401980	/nfs/dbraw/zinc/40/19/80/977401980.db2.gz	LLCMNEQJJXZBAC-RKDXNWHRSA-N	-1	0	268.269	0.155	20	30		CCEDRM
C[C@H](CCO)NS(=O)(=O)c1ccc(C#N)cc1C(=O)[O-]	ZINC001592529029	978383478	/nfs/dbraw/zinc/38/34/78/978383478.db2.gz	JNVMCBKRFDKHLD-MRVPVSSYSA-N	-1	0	298.320	0.306	20	30		CCEDRM
CC[C@H](CC#N)N[C@@H](C)C(=O)N1CCC(C(=O)[O-])CC1	ZINC001595030284	979165861	/nfs/dbraw/zinc/16/58/61/979165861.db2.gz	NNVHEQZOTXDMFV-CMPLNLGQSA-N	-1	0	281.356	0.980	20	30		CCEDRM
C[C@@H](CS(=O)(=O)N1CCC[C@@H](CC#N)C1)C(=O)[O-]	ZINC001592799767	979454744	/nfs/dbraw/zinc/45/47/44/979454744.db2.gz	ZNJKFSWBGXSOCS-UWVGGRQHSA-N	-1	0	274.342	0.663	20	30		CCEDRM
CC[C@@H](NC(=O)c1cccc(C#CCO)c1)C(=O)[O-]	ZINC001595271005	980287864	/nfs/dbraw/zinc/28/78/64/980287864.db2.gz	VCAIEAKXSXYWSC-GFCCVEGCSA-N	-1	0	261.277	0.623	20	30		CCEDRM
CC[C@H](O)[C@@H](C)C(=O)N1CCC(C#N)(C(=O)[O-])CC1	ZINC001595327888	980551584	/nfs/dbraw/zinc/55/15/84/980551584.db2.gz	YNWGMUZIXGDEEM-ZJUUUORDSA-N	-1	0	268.313	0.610	20	30		CCEDRM
CC[C@H](C(=O)[O-])C(=O)OCC(=O)N[C@](C)(C#N)C1CC1	ZINC001594766122	981720244	/nfs/dbraw/zinc/72/02/44/981720244.db2.gz	TZPRDMILALHZDS-NOZJJQNGSA-N	-1	0	282.296	0.449	20	30		CCEDRM
CCCCn1nnnc1N1CCC(C#N)(C(=O)[O-])CC1	ZINC001595810237	982643764	/nfs/dbraw/zinc/64/37/64/982643764.db2.gz	IAXQVQDUVSKYLL-UHFFFAOYSA-N	-1	0	278.316	0.668	20	30		CCEDRM
C#C[C@@H](C)NC(=O)C(=O)Nc1cc(C)cc(C(=O)[O-])c1	ZINC001588367702	983301233	/nfs/dbraw/zinc/30/12/33/983301233.db2.gz	ALBQMAMJCRRFCE-SECBINFHSA-N	-1	0	274.276	0.770	20	30		CCEDRM
C#C[C@H](C)N(C)S(=O)(=O)[C@H]1CCCC[C@@H]1C(=O)[O-]	ZINC001588368493	983306299	/nfs/dbraw/zinc/30/62/99/983306299.db2.gz	OBOHORBZLYMPEK-DCAQKATOSA-N	-1	0	273.354	0.913	20	30		CCEDRM
C#C[C@H](CO)NC(=O)Nc1ccc([C@@H](C)C(=O)[O-])cc1	ZINC001588370405	983319244	/nfs/dbraw/zinc/31/92/44/983319244.db2.gz	CGBZDCNAIHDXML-MWLCHTKSSA-N	-1	0	276.292	0.990	20	30		CCEDRM
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C#C[C@@H](NC(=O)N1CCC[C@H](C(=O)[O-])C1)C1CCOCC1	ZINC001588372701	983333017	/nfs/dbraw/zinc/33/30/17/983333017.db2.gz	QWBJCKVTEMFSTC-QWHCGFSZSA-N	-1	0	294.351	0.921	20	30		CCEDRM
C#CC1(F)CN(C(=O)CCCn2ccc(C(=O)[O-])n2)C1	ZINC001588375926	983348853	/nfs/dbraw/zinc/34/88/53/983348853.db2.gz	NCHPAZDPYKBRMM-UHFFFAOYSA-N	-1	0	279.271	0.545	20	30		CCEDRM
C#CC1(NC(=O)Cn2ccc(C(=O)[O-])n2)CCCC1	ZINC001588379779	983365753	/nfs/dbraw/zinc/36/57/53/983365753.db2.gz	RHSPSIRSKHJVBP-UHFFFAOYSA-N	-1	0	261.281	0.644	20	30		CCEDRM
C#CC1(O)CN(C(=O)Nc2ccc(F)c(C(=O)[O-])c2F)C1	ZINC001588379826	983366027	/nfs/dbraw/zinc/36/60/27/983366027.db2.gz	SURUPXIQSAZXQC-UHFFFAOYSA-N	-1	0	296.229	0.875	20	30		CCEDRM
C#C[C@@H]1COCCN1C(=O)N[C@@H]1CCC[C@H]1CC(=O)[O-]	ZINC001588384150	983386847	/nfs/dbraw/zinc/38/68/47/983386847.db2.gz	XCMLRVMTRDBFKT-QJPTWQEYSA-N	-1	0	280.324	0.673	20	30		CCEDRM
C#CC[C@H](CCOC)NC(=O)c1csc(C(=O)[O-])n1	ZINC001588394019	983401341	/nfs/dbraw/zinc/40/13/41/983401341.db2.gz	LNVZTGRBFVCODE-MRVPVSSYSA-N	-1	0	282.321	1.000	20	30		CCEDRM
C#CC[C@@H](CCOC)NC(=O)c1csc(C(=O)[O-])n1	ZINC001588394021	983401410	/nfs/dbraw/zinc/40/14/10/983401410.db2.gz	LNVZTGRBFVCODE-QMMMGPOBSA-N	-1	0	282.321	1.000	20	30		CCEDRM
C#CC[C@@H](NC(=O)C1(NC(=O)NCC)CCCC1)C(=O)[O-]	ZINC001588398904	983414238	/nfs/dbraw/zinc/41/42/38/983414238.db2.gz	ODPYRUNAUMDAOP-SNVBAGLBSA-N	-1	0	295.339	0.211	20	30		CCEDRM
C#CC[C@@H](NC(=O)c1c(C)[nH]nc1Cl)C(=O)[O-]	ZINC001588413553	983431173	/nfs/dbraw/zinc/43/11/73/983431173.db2.gz	ASQRKQKHBXOZIG-ZCFIWIBFSA-N	-1	0	255.661	0.578	20	30		CCEDRM
C#CC[C@@H](NC(=O)c1cc(=O)n(C)c2ccccc12)C(=O)[O-]	ZINC001588414428	983434248	/nfs/dbraw/zinc/43/42/48/983434248.db2.gz	SVCKVIXOPQBSGO-GFCCVEGCSA-N	-1	0	298.298	0.745	20	30		CCEDRM
C#CC[C@@H](NC(=O)c1ccsc1C(=O)OC)C(=O)[O-]	ZINC001588415649	983435071	/nfs/dbraw/zinc/43/50/71/983435071.db2.gz	COERJFQKMBDBKE-MRVPVSSYSA-N	-1	0	281.289	0.741	20	30		CCEDRM
C#CC[C@@H](NC(=O)c1cncc(C(C)=O)c1)C(=O)[O-]	ZINC001588415693	983435545	/nfs/dbraw/zinc/43/55/45/983435545.db2.gz	FPXODIIVPQJHLU-LLVKDONJSA-N	-1	0	260.249	0.491	20	30		CCEDRM
C#CC[C@H](NC(=O)c1ccsc1C(=O)[O-])C(=O)OC	ZINC001588416159	983436450	/nfs/dbraw/zinc/43/64/50/983436450.db2.gz	JTCSECXKDISGAX-QMMMGPOBSA-N	-1	0	281.289	0.741	20	30		CCEDRM
C#CC[C@@H](NC(=O)c1ncc(Br)cn1)C(=O)[O-]	ZINC001588421637	983442154	/nfs/dbraw/zinc/44/21/54/983442154.db2.gz	MEQMXODRORYUFI-SSDOTTSWSA-N	-1	0	298.096	0.445	20	30		CCEDRM
C#CC[C@@H](NC(=O)c1cnn(C2CC2)c1N)C(=O)[O-]	ZINC001588422536	983447226	/nfs/dbraw/zinc/44/72/26/983447226.db2.gz	ZGHOXYPMQLJJLQ-SECBINFHSA-N	-1	0	262.269	0.007	20	30		CCEDRM
C#CCC1(NS(=O)(=O)CC2(C(=O)[O-])CC2)CCC1	ZINC001588427747	983457718	/nfs/dbraw/zinc/45/77/18/983457718.db2.gz	KSZJUGSGEPBIRP-UHFFFAOYSA-N	-1	0	271.338	0.717	20	30		CCEDRM
C#CC[C@@H](NS(=O)(=O)c1cnn(C2CCC2)c1)C(=O)[O-]	ZINC001588428617	983463052	/nfs/dbraw/zinc/46/30/52/983463052.db2.gz	VDFDBMMBPJAQFZ-LLVKDONJSA-N	-1	0	297.336	0.363	20	30		CCEDRM
C#CC[C@H]1CCN(S(=O)(=O)[C@H]2CC[C@@H](C(=O)[O-])C2)C1	ZINC001588433683	983467936	/nfs/dbraw/zinc/46/79/36/983467936.db2.gz	BTZCGEVOCYZZIZ-TUAOUCFPSA-N	-1	0	285.365	0.915	20	30		CCEDRM
C#CC[C@H]1CCN(S(=O)(=O)C[C@H](C)C(=O)[O-])C1	ZINC001588434319	983469609	/nfs/dbraw/zinc/46/96/09/983469609.db2.gz	JDAVNHKMRPXTKY-UWVGGRQHSA-N	-1	0	259.327	0.382	20	30		CCEDRM
C#CC[C@@H]1CCN(S(=O)(=O)CCCC(=O)[O-])C1	ZINC001588434998	983473895	/nfs/dbraw/zinc/47/38/95/983473895.db2.gz	ZDWBICGZRAUPMO-SNVBAGLBSA-N	-1	0	259.327	0.526	20	30		CCEDRM
C#CCC[C@H](O)CNC(=O)Nc1cc(C)c(C(=O)[O-])cn1	ZINC001588435178	983475169	/nfs/dbraw/zinc/47/51/69/983475169.db2.gz	GDFZKBXOZBJQMF-JTQLQIEISA-N	-1	0	291.307	0.984	20	30		CCEDRM
C#CCCn1nnnc1N1CCC(CCC(=O)[O-])CC1	ZINC001588457892	983482311	/nfs/dbraw/zinc/48/23/11/983482311.db2.gz	IVFOUIHYIXWIAF-UHFFFAOYSA-N	-1	0	277.328	0.778	20	30		CCEDRM
C#CCN(C(=O)[C@H]1C[C@@H](C)[C@H](C(=O)[O-])O1)C1CSC1	ZINC001588460353	983488168	/nfs/dbraw/zinc/48/81/68/983488168.db2.gz	ZXZSAKDMMHBIJJ-FBIMIBRVSA-N	-1	0	283.349	0.442	20	30		CCEDRM
C#CCN(CC(=O)NCCC(=O)[O-])Cc1ccccc1	ZINC001588465828	983496595	/nfs/dbraw/zinc/49/65/95/983496595.db2.gz	JJTNHAYJZKKAEM-UHFFFAOYSA-N	-1	0	274.320	0.713	20	30		CCEDRM
C#CCN(CC1CC1)S(=O)(=O)c1cncc(C(=O)[O-])c1	ZINC001588468435	983500899	/nfs/dbraw/zinc/50/08/99/983500899.db2.gz	YCZBUSKKXCRGIA-UHFFFAOYSA-N	-1	0	294.332	0.814	20	30		CCEDRM
C#CCN1CCC[C@@H](NC(=O)N[C@H]2C[C@@H](C(=O)[O-])C2)C1	ZINC001588476232	983510603	/nfs/dbraw/zinc/51/06/03/983510603.db2.gz	LVIAKAPFMVBCSN-UTUOFQBUSA-N	-1	0	279.340	0.246	20	30		CCEDRM
C#CCO[C@H](C)C(=O)NC[C@H]1[C@@H](C(=O)[O-])C1(F)F	ZINC001588489664	983528704	/nfs/dbraw/zinc/52/87/04/983528704.db2.gz	APFHUTRNLAUKIH-CSMHCCOUSA-N	-1	0	261.224	0.107	20	30		CCEDRM
C#CCOCCC(=O)N1C[C@@H](OC)C[C@@]1(C)C(=O)[O-]	ZINC001588490171	983530758	/nfs/dbraw/zinc/53/07/58/983530758.db2.gz	UPUHQOVEHLDBLT-GWCFXTLKSA-N	-1	0	269.297	0.117	20	30		CCEDRM
C#CCSCC(=O)N1C[C@@H](C)O[C@H](C(=O)[O-])C1	ZINC001588504765	983548894	/nfs/dbraw/zinc/54/88/94/983548894.db2.gz	KPIDYKDYADMEMJ-BDAKNGLRSA-N	-1	0	257.311	0.053	20	30		CCEDRM
C=C(C)[C@@H](CC(=O)N[C@H](Cc1c[nH]cn1)C(=O)[O-])OCC	ZINC001588533985	983585203	/nfs/dbraw/zinc/58/52/03/983585203.db2.gz	CQYMZTBGSSMFND-VXGBXAGGSA-N	-1	0	295.339	0.893	20	30		CCEDRM
C=C(C)[C@H]1OCC[C@H]1CNc1ccnc(C(=O)[O-])n1	ZINC001588534900	983586962	/nfs/dbraw/zinc/58/69/62/983586962.db2.gz	CYWMGTLYBUQRFD-GXSJLCMTSA-N	-1	0	263.297	0.990	20	30		CCEDRM
C=C(C)[C@H]1OCC[C@H]1CNC(=O)[C@H]1CC[C@@H](C(=O)[O-])O1	ZINC001588535136	983588357	/nfs/dbraw/zinc/58/83/57/983588357.db2.gz	FMEKXQWLZYMZCW-WHOHXGKFSA-N	-1	0	283.324	0.716	20	30		CCEDRM
C=C(C)C[C@@H](NC(=O)C1=C[S@@](=O)CCC1)C(=O)[O-]	ZINC001588537806	983602196	/nfs/dbraw/zinc/60/21/96/983602196.db2.gz	YRBDPBRIMGXDLH-MGNBDDOMSA-N	-1	0	271.338	0.948	20	30		CCEDRM
C=C(C)C[C@H](NC(=O)[C@@H]1CCc2nnnn2CC1)C(=O)[O-]	ZINC001588540986	983605924	/nfs/dbraw/zinc/60/59/24/983605924.db2.gz	PVKJVDBBTFDFHL-ZJUUUORDSA-N	-1	0	293.327	0.161	20	30		CCEDRM
C=C(C)C[C@@H](NC(=O)CN1CCSC1=O)C(=O)[O-]	ZINC001588543049	983610609	/nfs/dbraw/zinc/61/06/09/983610609.db2.gz	VZXIYIJTNAFQCQ-MRVPVSSYSA-N	-1	0	272.326	0.691	20	30		CCEDRM
C=C(C)CNC(=O)CN1CCC[C@@H](C(=O)[O-])C1=O	ZINC001588585156	983663131	/nfs/dbraw/zinc/66/31/31/983663131.db2.gz	LHQACEYRJOBIMK-SECBINFHSA-N	-1	0	254.286	0.002	20	30		CCEDRM
C=C(C)Cn1nnnc1N1CC[C@H](C(=O)[O-])[C@@H]1C	ZINC001588598991	983687423	/nfs/dbraw/zinc/68/74/23/983687423.db2.gz	CFLLZXGNBUPBAH-IUCAKERBSA-N	-1	0	251.290	0.549	20	30		CCEDRM
C=C(C)Cn1nnnc1N1CCC[C@H]1CC(=O)[O-]	ZINC001588599380	983689917	/nfs/dbraw/zinc/68/99/17/983689917.db2.gz	NIHCVLZXHXKRIG-VIFPVBQESA-N	-1	0	251.290	0.693	20	30		CCEDRM
C=C(C)Cn1nnnc1N1CCC[C@@H]1CC(=O)[O-]	ZINC001588599378	983689940	/nfs/dbraw/zinc/68/99/40/983689940.db2.gz	NIHCVLZXHXKRIG-SECBINFHSA-N	-1	0	251.290	0.693	20	30		CCEDRM
C=C(CC)C(=O)N1CC[C@H](n2cc(C(=O)[O-])nn2)C1	ZINC001588605649	983693969	/nfs/dbraw/zinc/69/39/69/983693969.db2.gz	JZVPBUZWCASGIT-VIFPVBQESA-N	-1	0	264.285	0.716	20	30		CCEDRM
C=C(CCC(=O)[O-])C(=O)N(C[C@@H]1CCC(=O)N1)C(C)C	ZINC001588612131	983701811	/nfs/dbraw/zinc/70/18/11/983701811.db2.gz	JIXJRQVEIBTOJC-NSHDSACASA-N	-1	0	282.340	0.923	20	30		CCEDRM
C=C(CCC(=O)[O-])C(=O)N1CC(=O)N[C@@H]2CCCC[C@H]21	ZINC001588612319	983702645	/nfs/dbraw/zinc/70/26/45/983702645.db2.gz	MVVCRUMRGXMAGR-GHMZBOCLSA-N	-1	0	280.324	0.677	20	30		CCEDRM
C=C(CCC(=O)[O-])C(=O)N1C[C@H](C(N)=O)CC[C@H]1C	ZINC001588612587	983703252	/nfs/dbraw/zinc/70/32/52/983703252.db2.gz	SPUIHLRXJUGALG-NXEZZACHSA-N	-1	0	268.313	0.520	20	30		CCEDRM
C=C(CCC(=O)[O-])C(=O)N1CC[C@H](N2CCOC2=O)C1	ZINC001588613828	983705054	/nfs/dbraw/zinc/70/50/54/983705054.db2.gz	FNEWHTIDWMAHMU-JTQLQIEISA-N	-1	0	282.296	0.461	20	30		CCEDRM
C=C(CCC(=O)[O-])C(=O)N1CCC[C@H]1c1nc[nH]n1	ZINC001588615212	983710691	/nfs/dbraw/zinc/71/06/91/983710691.db2.gz	MQMWDYDJKMEAPU-VIFPVBQESA-N	-1	0	264.285	0.889	20	30		CCEDRM
C=C(CCC(=O)[O-])C(=O)N1CCO[C@@H](CCF)C1	ZINC001588619312	983716284	/nfs/dbraw/zinc/71/62/84/983716284.db2.gz	QLIPNLRGOWMBPS-JTQLQIEISA-N	-1	0	259.277	0.994	20	30		CCEDRM
C=C(CCC(=O)[O-])C(=O)N[C@H]1CCS(=O)(=O)[C@@H](C)C1	ZINC001588623170	983726946	/nfs/dbraw/zinc/72/69/46/983726946.db2.gz	KROUTDGDPGIQAW-UWVGGRQHSA-N	-1	0	289.353	0.489	20	30		CCEDRM
C=C(CCC(=O)[O-])C(=O)NCC1(O)CCOCC1	ZINC001588623493	983728388	/nfs/dbraw/zinc/72/83/88/983728388.db2.gz	RNDKVDNSKREXJE-UHFFFAOYSA-N	-1	0	257.286	0.065	20	30		CCEDRM
C=C(CCC(=O)[O-])C(=O)NC[C@@H](O)COCC(C)C	ZINC001588623844	983730047	/nfs/dbraw/zinc/73/00/47/983730047.db2.gz	YXOWSJODFKBVPS-LLVKDONJSA-N	-1	0	273.329	0.557	20	30		CCEDRM
C=C(CCC(=O)[O-])C(=O)NCC[C@@H](C)[S@@](C)=O	ZINC001588624483	983732586	/nfs/dbraw/zinc/73/25/86/983732586.db2.gz	KMLZBGNBMMNEDE-VVVCHXIZSA-N	-1	0	261.343	0.681	20	30		CCEDRM
C=C(CCC(=O)[O-])C(=O)NCC[C@H](C)[S@@](C)=O	ZINC001588624482	983732646	/nfs/dbraw/zinc/73/26/46/983732646.db2.gz	KMLZBGNBMMNEDE-HUTHGQBESA-N	-1	0	261.343	0.681	20	30		CCEDRM
C=C(CCC(=O)[O-])C(=O)NCCOC(=O)N(C)C	ZINC001588624543	983733421	/nfs/dbraw/zinc/73/34/21/983733421.db2.gz	MNEVNDZYNYCNJQ-UHFFFAOYSA-N	-1	0	258.274	0.222	20	30		CCEDRM
C=C(CCC(=O)[O-])C(=O)NCc1cnc(COC)nc1N	ZINC001588629725	983739070	/nfs/dbraw/zinc/73/90/70/983739070.db2.gz	JGKHSDGCIZWWCG-UHFFFAOYSA-N	-1	0	294.311	0.242	20	30		CCEDRM
C=C(CCC(=O)OC)C(=O)N[C@@]1(CC(=O)[O-])CCOC1	ZINC001588633031	983747022	/nfs/dbraw/zinc/74/70/22/983747022.db2.gz	GMYZAYAXHYOVTI-CYBMUJFWSA-N	-1	0	285.296	0.246	20	30		CCEDRM
C=C(CO)C(=O)Nc1cnn(C(C)(C)C(=O)[O-])c1	ZINC001588637153	983759128	/nfs/dbraw/zinc/75/91/28/983759128.db2.gz	JBNXLFJHDVRGNR-UHFFFAOYSA-N	-1	0	253.258	0.190	20	30		CCEDRM
C=C(Cl)CN1CC(NC(=O)[C@H]2C[C@@H]2C(=O)[O-])C1	ZINC001588642663	983764983	/nfs/dbraw/zinc/76/49/83/983764983.db2.gz	ZYOOUURJWHAOPO-IUCAKERBSA-N	-1	0	258.705	0.260	20	30		CCEDRM
C=C1CCC(C(=O)N[C@H](Cn2cncn2)C(=O)[O-])CC1	ZINC001588644535	983770171	/nfs/dbraw/zinc/77/01/71/983770171.db2.gz	YZCQHKDMHGCCKF-LLVKDONJSA-N	-1	0	278.312	0.594	20	30		CCEDRM
C=C[C@H](C(=O)[O-])N1CCN(c2ncccc2C#N)CC1	ZINC001588668827	983806191	/nfs/dbraw/zinc/80/61/91/983806191.db2.gz	AJRCQUGQGMGNSF-GFCCVEGCSA-N	-1	0	272.308	0.714	20	30		CCEDRM
C=CC(C)(C)C(=O)N1CC(N(C)C(=O)[C@@H]2C[C@@H]2C(=O)[O-])C1	ZINC001588671496	983820346	/nfs/dbraw/zinc/82/03/46/983820346.db2.gz	BVTSUNXTPWAXMV-MNOVXSKESA-N	-1	0	294.351	0.589	20	30		CCEDRM
C=CC(C)(C)C(=O)N1CCN(C(=O)[C@H]2C[C@H]2C(=O)[O-])CC1	ZINC001588671996	983823453	/nfs/dbraw/zinc/82/34/53/983823453.db2.gz	MNAMFUVIPNHDBL-WDEREUQCSA-N	-1	0	294.351	0.590	20	30		CCEDRM
C=C[C@H](C(=O)OC)n1cc(C[C@@H](CC)C(=O)[O-])nn1	ZINC001588672589	983826439	/nfs/dbraw/zinc/82/64/39/983826439.db2.gz	WNAAWYIIXZVBBD-PSASIEDQSA-N	-1	0	267.285	0.832	20	30		CCEDRM
C=C[C@](C)(CC)C(=O)N1C[C@H](C(=O)OC)[C@H](C(=O)[O-])C1	ZINC001588681304	983840020	/nfs/dbraw/zinc/84/00/20/983840020.db2.gz	WAMIYLPFAPHPOC-ISTVAULSSA-N	-1	0	283.324	0.921	20	30		CCEDRM
C=C[C@](C)(O)C(=O)N(CCCOCC)C[C@@H](C)C(=O)[O-]	ZINC001588682275	983843020	/nfs/dbraw/zinc/84/30/20/983843020.db2.gz	KWUKNTGPMHPYPV-RISCZKNCSA-N	-1	0	287.356	0.899	20	30		CCEDRM
C=C[C@@](C)(CCOC)C(=O)Nc1n[nH]c(CC(=O)[O-])n1	ZINC001588682826	983845718	/nfs/dbraw/zinc/84/57/18/983845718.db2.gz	QVRSKWAAILALST-LBPRGKRZSA-N	-1	0	282.300	0.599	20	30		CCEDRM
C=C[C@@H](COC)NC(=O)C(=O)Nc1ccc(C(=O)[O-])cc1	ZINC001588692873	983887690	/nfs/dbraw/zinc/88/76/90/983887690.db2.gz	LQUJKLMRPZTNRD-JTQLQIEISA-N	-1	0	292.291	0.641	20	30		CCEDRM
C=C[C@H](OC(=O)c1cc(OC(F)F)n(C)n1)C(=O)[O-]	ZINC001588711494	983938228	/nfs/dbraw/zinc/93/82/28/983938228.db2.gz	AQCRXERUDHZTPU-LURJTMIESA-N	-1	0	276.195	0.818	20	30		CCEDRM
C=C[C@H](OC(=O)[C@@H]1CC(=O)N(C2CC2)C1)C(=O)[O-]	ZINC001588712867	983946452	/nfs/dbraw/zinc/94/64/52/983946452.db2.gz	ZJVDYXVZNUQIRY-APPZFPTMSA-N	-1	0	253.254	0.180	20	30		CCEDRM
C=CC[C@@H](C(=O)[O-])N1CCO[C@](C)(C(=O)OCC)C1	ZINC001588731055	984003901	/nfs/dbraw/zinc/00/39/01/984003901.db2.gz	CKAOGOUYRUOSID-GWCFXTLKSA-N	-1	0	271.313	0.670	20	30		CCEDRM
C=CC[C@@H](C(=O)OC)N1CCC(C#N)(C(=O)[O-])CC1	ZINC001588732286	984017643	/nfs/dbraw/zinc/01/76/43/984017643.db2.gz	YQGHWYKVABHZQC-JTQLQIEISA-N	-1	0	266.297	0.794	20	30		CCEDRM
C=CC[C@@H](CC)NC(=O)NCCC(=O)NCCC(=O)[O-]	ZINC001588735508	984018727	/nfs/dbraw/zinc/01/87/27/984018727.db2.gz	CEFXLVSQSNNNFR-SNVBAGLBSA-N	-1	0	285.344	0.621	20	30		CCEDRM
C=CC[C@H](OC(=O)[C@H]1COCCN1CC(F)F)C(=O)[O-]	ZINC001588753639	984087339	/nfs/dbraw/zinc/08/73/39/984087339.db2.gz	LDVGKPRHQBZCOE-BDAKNGLRSA-N	-1	0	293.266	0.525	20	30		CCEDRM
C=CC[C@H](OC(=O)COc1c(C)occc1=O)C(=O)[O-]	ZINC001588753987	984090611	/nfs/dbraw/zinc/09/06/11/984090611.db2.gz	QVNFHDGRKLVTLD-JTQLQIEISA-N	-1	0	282.248	0.900	20	30		CCEDRM
C=CC[C@H](OC(=O)c1cc(OC)ncn1)C(=O)[O-]	ZINC001588756049	984096336	/nfs/dbraw/zinc/09/63/36/984096336.db2.gz	GHYBIYLMIRIYQH-QMMMGPOBSA-N	-1	0	252.226	0.671	20	30		CCEDRM
C=CC[C@H]1CCN1C(=O)Cn1cccc(C(=O)[O-])c1=O	ZINC001588772863	984145288	/nfs/dbraw/zinc/14/52/88/984145288.db2.gz	OQNBZAMLCGNVQX-JTQLQIEISA-N	-1	0	276.292	0.724	20	30		CCEDRM
C=CCC[C@@H](CO)NC(=O)[C@H]1CC[C@@H](CCC(=O)[O-])O1	ZINC001588778208	984159765	/nfs/dbraw/zinc/15/97/65/984159765.db2.gz	XPTRCVBCXMEELL-SDDRHHMPSA-N	-1	0	285.340	0.842	20	30		CCEDRM
C=CCC[C@H](NC(=O)[C@@H]1CC[C@H](C(=O)[O-])O1)C(=O)OCC	ZINC001588778451	984160372	/nfs/dbraw/zinc/16/03/72/984160372.db2.gz	ASYFGGGCAXEEKT-GARJFASQSA-N	-1	0	299.323	0.633	20	30		CCEDRM
C=CCC[C@H]1NC(=O)N([C@H]2C[C@@H](C(=O)[O-])[C@@H]3C[C@@H]32)C1=O	ZINC001588782405	984171632	/nfs/dbraw/zinc/17/16/32/984171632.db2.gz	UNIJPJXCKFPPLO-QGKZMRNZSA-N	-1	0	278.308	0.982	20	30		CCEDRM
C=CCCC[C@@H](NC(=O)CN(CC)C(=O)C=C)C(=O)[O-]	ZINC001588788605	984191623	/nfs/dbraw/zinc/19/16/23/984191623.db2.gz	IFLAMPQANKWLCS-LLVKDONJSA-N	-1	0	282.340	0.947	20	30		CCEDRM
C=CCCC[C@H](NC(=O)[C@@H]1CC[C@H]1C(N)=O)C(=O)[O-]	ZINC001588790316	984205658	/nfs/dbraw/zinc/20/56/58/984205658.db2.gz	VMUDTMAUDSAVDF-BBBLOLIVSA-N	-1	0	268.313	0.424	20	30		CCEDRM
C=CCCC[C@@H](NC(=O)Cn1cnc(C#N)n1)C(=O)[O-]	ZINC001588794204	984225574	/nfs/dbraw/zinc/22/55/74/984225574.db2.gz	OEHJBDUYLNPZJW-SECBINFHSA-N	-1	0	277.284	0.075	20	30		CCEDRM
C=CCCC[C@@H](NC(=O)c1cnn(C)c1N)C(=O)[O-]	ZINC001588797272	984228901	/nfs/dbraw/zinc/22/89/01/984228901.db2.gz	AONYTXJTKDUVJL-SECBINFHSA-N	-1	0	266.301	0.542	20	30		CCEDRM
C=CCCCCCNC(=O)N1CC(O)(C(=O)[O-])C1	ZINC001588799882	984242903	/nfs/dbraw/zinc/24/29/03/984242903.db2.gz	NPBZJSXMVXPBBQ-UHFFFAOYSA-N	-1	0	256.302	0.574	20	30		CCEDRM
C=CCCO[C@@H](C)C(=O)N[C@@H](Cn1ccnc1)C(=O)[O-]	ZINC001588808901	984263431	/nfs/dbraw/zinc/26/34/31/984263431.db2.gz	PLHZHJGHRHCUHO-QWRGUYRKSA-N	-1	0	281.312	0.434	20	30		CCEDRM
C=CCCO[C@H](C)C(=O)N[C@H](CC1OCCO1)C(=O)[O-]	ZINC001588808828	984263583	/nfs/dbraw/zinc/26/35/83/984263583.db2.gz	OAJPTEOFRQSVPA-NXEZZACHSA-N	-1	0	287.312	0.300	20	30		CCEDRM
C=CCCS(=O)(=O)N1CCSC[C@@H](C(=O)[O-])C1	ZINC001588813330	984269007	/nfs/dbraw/zinc/26/90/07/984269007.db2.gz	MTRLBNKVLQFFBM-VIFPVBQESA-N	-1	0	279.383	0.642	20	30		CCEDRM
C=CCN(C(=O)C(=O)N[C@H]1C[C@@H]2C[C@]2(C(=O)[O-])C1)C(C)C	ZINC001588820062	984281435	/nfs/dbraw/zinc/28/14/35/984281435.db2.gz	OZXWVJGMBSUETA-ZETOZRRWSA-N	-1	0	294.351	0.779	20	30		CCEDRM
C=CCN(C(=O)[C@H]1C[C@@H](C)[C@H](C(=O)[O-])O1)[C@H](C)COC	ZINC001588820409	984283749	/nfs/dbraw/zinc/28/37/49/984283749.db2.gz	AIRNOHFVSAZJKV-DDHJBXDOSA-N	-1	0	285.340	0.914	20	30		CCEDRM
C=CCN(CC=C)C(=O)Cn1cc(CC(=O)[O-])nn1	ZINC001588825502	984300847	/nfs/dbraw/zinc/30/08/47/984300847.db2.gz	RNPXIDFNAFYVSQ-UHFFFAOYSA-N	-1	0	264.285	0.106	20	30		CCEDRM
C=CCNC(=O)[C@H](C)OC(=O)C(C)(C)CC(=O)[O-]	ZINC001588838143	984335809	/nfs/dbraw/zinc/33/58/09/984335809.db2.gz	ACSHAHBXNFVDGQ-QMMMGPOBSA-N	-1	0	257.286	0.721	20	30		CCEDRM
C=CCNC(=O)[C@H](C)OC(=O)c1ccc(C(=O)[O-])nc1	ZINC001588839515	984347719	/nfs/dbraw/zinc/34/77/19/984347719.db2.gz	SNWDHOBJJQELHZ-QMMMGPOBSA-N	-1	0	278.264	0.627	20	30		CCEDRM
C=CCN1CC[C@H](N2CC[C@@](F)(C(=O)[O-])C2)C1=O	ZINC001588840110	984351912	/nfs/dbraw/zinc/35/19/12/984351912.db2.gz	ZSXKGFUXYWNHEM-CABZTGNLSA-N	-1	0	256.277	0.272	20	30		CCEDRM
C=CCOC[C@@H](NC(=O)CCOCC(F)(F)F)C(=O)[O-]	ZINC001588854280	984389234	/nfs/dbraw/zinc/38/92/34/984389234.db2.gz	UKYTVMNWONENLZ-MRVPVSSYSA-N	-1	0	299.245	0.727	20	30		CCEDRM
C=CCOC[C@@H](NC(=O)[C@H]1CC(=O)N(CCC)C1)C(=O)[O-]	ZINC001588855254	984392096	/nfs/dbraw/zinc/39/20/96/984392096.db2.gz	FAEDWTVQBXAKNM-WDEREUQCSA-N	-1	0	298.339	0.017	20	30		CCEDRM
C=CCOC[C@H](NC(=O)[C@H](O)C(C)(C)C)C(=O)[O-]	ZINC001588856347	984398864	/nfs/dbraw/zinc/39/88/64/984398864.db2.gz	YHPQTLQIKSPZAY-IUCAKERBSA-N	-1	0	259.302	0.165	20	30		CCEDRM
C=CCOC[C@H](NC(=O)c1n[nH]c2c1CCC2)C(=O)[O-]	ZINC001588860245	984411687	/nfs/dbraw/zinc/41/16/87/984411687.db2.gz	NNNCZVGISVAVOH-JTQLQIEISA-N	-1	0	279.296	0.284	20	30		CCEDRM
C=CCOC[C@@H](NC(=O)c1cncc2[nH]ccc21)C(=O)[O-]	ZINC001588860249	984411827	/nfs/dbraw/zinc/41/18/27/984411827.db2.gz	NQZNEMLHRAQAGI-GFCCVEGCSA-N	-1	0	289.291	0.949	20	30		CCEDRM
C=CCOC[C@H](NC(=O)c1ccnn1C(F)F)C(=O)[O-]	ZINC001588860576	984414218	/nfs/dbraw/zinc/41/42/18/984414218.db2.gz	ZJJOXOHKVGTTDV-ZETCQYMHSA-N	-1	0	289.238	0.664	20	30		CCEDRM
C=CCOC[C@@H](NC(=O)c1ccc([N+](=O)[O-])n1C)C(=O)[O-]	ZINC001588861830	984416987	/nfs/dbraw/zinc/41/69/87/984416987.db2.gz	NAONUYMGRHTVFA-MRVPVSSYSA-N	-1	0	297.267	0.319	20	30		CCEDRM
C=CCOC[C@@H](NCc1ccc(C(=O)OC)o1)C(=O)[O-]	ZINC001588866396	984425150	/nfs/dbraw/zinc/42/51/50/984425150.db2.gz	OIASBKHLITZNED-SNVBAGLBSA-N	-1	0	283.280	0.812	20	30		CCEDRM
C=CCOC[C@@H](NS(=O)(=O)C1CCCCC1)C(=O)[O-]	ZINC001588867148	984430457	/nfs/dbraw/zinc/43/04/57/984430457.db2.gz	UHHSBCCGCYJOJQ-LLVKDONJSA-N	-1	0	291.369	0.894	20	30		CCEDRM
C=CCOCCNC(=O)N[C@H]1C[C@H]2C[C@H](C(=O)[O-])C[C@H]21	ZINC001588868795	984435363	/nfs/dbraw/zinc/43/53/63/984435363.db2.gz	BJZSBXVNQOMFBE-KXNHARMFSA-N	-1	0	282.340	0.988	20	30		CCEDRM
C=CCn1c(C)nnc1N1C[C@H](C)O[C@H](C(=O)[O-])C1	ZINC001588896782	984504439	/nfs/dbraw/zinc/50/44/39/984504439.db2.gz	LVZGKBSICYUDGL-WPRPVWTQSA-N	-1	0	266.301	0.451	20	30		CCEDRM
C=CCn1cc(C(=O)NCc2cc(C(=O)[O-])c(C)o2)nn1	ZINC001588909994	984546401	/nfs/dbraw/zinc/54/64/01/984546401.db2.gz	FTZAOLCUDLBUGB-UHFFFAOYSA-N	-1	0	290.279	0.994	20	30		CCEDRM
C=CCn1cc(C(=O)Nc2nc(CC(=O)[O-])cs2)nn1	ZINC001588910117	984547843	/nfs/dbraw/zinc/54/78/43/984547843.db2.gz	LQTGZQOZUGDYLR-UHFFFAOYSA-N	-1	0	293.308	0.800	20	30		CCEDRM
C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1CC=C(C(=O)[O-])C1	ZINC001588916465	984561131	/nfs/dbraw/zinc/56/11/31/984561131.db2.gz	NNACSRSCNRGTMJ-MXWKQRLJSA-N	-1	0	251.282	0.867	20	30		CCEDRM
C=C[C@@H]1OCCC[C@H]1NS(=O)(=O)[C@H]1C[C@@H](C(=O)[O-])C1	ZINC001588916736	984562928	/nfs/dbraw/zinc/56/29/28/984562928.db2.gz	BUVKQPYMFWHZAN-YTWAJWBKSA-N	-1	0	289.353	0.503	20	30		CCEDRM
C=C[C@@H]1OCC[C@H]1CNC(=O)NC[C@H]1CCO[C@H]1C(=O)[O-]	ZINC001588918072	984569323	/nfs/dbraw/zinc/56/93/23/984569323.db2.gz	VVNGKVBDNNWYJU-WHOHXGKFSA-N	-1	0	298.339	0.366	20	30		CCEDRM
C=C[C@@H]1OCC[C@H]1NC(=O)Nc1ccc(C(=O)[O-])nn1	ZINC001588919481	984572119	/nfs/dbraw/zinc/57/21/19/984572119.db2.gz	BBGUJEPBWOIDOL-APPZFPTMSA-N	-1	0	278.268	0.640	20	30		CCEDRM
C=C[C@@H]1OCC[C@H]1NC(=O)Nc1ccn(CC(=O)[O-])n1	ZINC001588919906	984575192	/nfs/dbraw/zinc/57/51/92/984575192.db2.gz	OHWNRWPGOWSSBN-BDAKNGLRSA-N	-1	0	280.284	0.433	20	30		CCEDRM
CC#CC[C@@H](CO)NS(=O)(=O)CCCCCC(=O)[O-]	ZINC001588924827	984583731	/nfs/dbraw/zinc/58/37/31/984583731.db2.gz	FTNQDJLPKMLTCY-NSHDSACASA-N	-1	0	291.369	0.325	20	30		CCEDRM
CC#CC[C@@H](CO)NC(=O)C12CC(C(=O)[O-])(C1)C2	ZINC001588926338	984593348	/nfs/dbraw/zinc/59/33/48/984593348.db2.gz	SGYKNHDZXMAPGM-ALXWSUNGSA-N	-1	0	251.282	0.132	20	30		CCEDRM
C/C(=C/CNC(=O)NC1CCN(CC#N)CC1)C(=O)[O-]	ZINC001588971927	984790851	/nfs/dbraw/zinc/79/08/51/984790851.db2.gz	KRMKGQUSFQTJPX-SGAXSIHGSA-N	-1	0	280.328	0.304	20	30		CCEDRM
CC(N=Nc1ncncc1Cl)c1cn(CC(=O)[O-])nn1	ZINC001589017434	985003989	/nfs/dbraw/zinc/00/39/89/985003989.db2.gz	OOMXEUOHPOZVFH-UHFFFAOYSA-N	-1	0	295.690	0.642	20	30		CCEDRM
CC(=O)N1CCCC[C@H]1C(=O)N(CC#N)CCC(=O)[O-]	ZINC001589070776	985213155	/nfs/dbraw/zinc/21/31/55/985213155.db2.gz	OTRVGMNLQRERJJ-NSHDSACASA-N	-1	0	281.312	0.214	20	30		CCEDRM
C[C@@H]1CN(C(=O)c2cc(C(=O)[O-])no2)C[C@H](C)N1CC#N	ZINC001594490311	985602181	/nfs/dbraw/zinc/60/21/81/985602181.db2.gz	ZQMRFFJEGYUZJA-DTORHVGOSA-N	-1	0	292.295	0.431	20	30		CCEDRM
C[C@H](C#N)CNC(=O)Nc1c(C(=O)[O-])cnn1C	ZINC001589330440	986172045	/nfs/dbraw/zinc/17/20/45/986172045.db2.gz	FKLCYHHIBXNAKA-ZCFIWIBFSA-N	-1	0	251.246	0.399	20	30		CCEDRM
C[C@H](C(=O)N(CC#N)CCC(=O)[O-])N1CCSCC1	ZINC001589341978	986261100	/nfs/dbraw/zinc/26/11/00/986261100.db2.gz	SFXZOAOKJHXUHI-SNVBAGLBSA-N	-1	0	285.369	0.251	20	30		CCEDRM
C[C@@H](C(=O)N[C@@H](CC(C)(C)C)C(=O)[O-])n1cnc(C#N)n1	ZINC001589384823	986471500	/nfs/dbraw/zinc/47/15/00/986471500.db2.gz	ALSWDDUXBMPQPJ-IUCAKERBSA-N	-1	0	293.327	0.716	20	30		CCEDRM
C[C@H]1Cc2cn[nH]c2[C@@H](C(=O)N(CC#N)CC(=O)[O-])C1	ZINC001594623438	986675540	/nfs/dbraw/zinc/67/55/40/986675540.db2.gz	CLTPXBKOXPFPAF-WPRPVWTQSA-N	-1	0	276.296	0.512	20	30		CCEDRM
C[C@@H](C(=O)OCc1cc(C(=O)[O-])co1)n1cnc(C#N)n1	ZINC001589548527	987277229	/nfs/dbraw/zinc/27/72/29/987277229.db2.gz	FXLNBZVYYCBLMS-ZETCQYMHSA-N	-1	0	290.235	0.745	20	30		CCEDRM
CC(C)(C#N)CC(=O)NC[C@]1(C(=O)[O-])CCOC1	ZINC001589554233	987299499	/nfs/dbraw/zinc/29/94/99/987299499.db2.gz	YZZFJQRPVSRUBJ-GFCCVEGCSA-N	-1	0	254.286	0.534	20	30		CCEDRM
CC(C)(C#N)CC(=O)O[C@@H]1CCN(CCC(=O)[O-])C1=O	ZINC001589554236	987299524	/nfs/dbraw/zinc/29/95/24/987299524.db2.gz	ZDUYJIWSJBAQOO-SECBINFHSA-N	-1	0	282.296	0.545	20	30		CCEDRM
CC(C)(C#N)CS(=O)(=O)N1CCO[C@H](CC(=O)[O-])C1	ZINC001589557371	987305946	/nfs/dbraw/zinc/30/59/46/987305946.db2.gz	BYKXPQQRIHDJFM-SECBINFHSA-N	-1	0	290.341	0.041	20	30		CCEDRM
CC[C@@H](C#N)NS(=O)(=O)c1cccc(CC(=O)[O-])c1	ZINC001597282190	987352993	/nfs/dbraw/zinc/35/29/93/987352993.db2.gz	COYZHLGBCMIHGW-JTQLQIEISA-N	-1	0	282.321	0.894	20	30		CCEDRM
CC[C@@H](C#N)NS(=O)(=O)c1cncc(C(=O)[O-])c1	ZINC001597282448	987355772	/nfs/dbraw/zinc/35/57/72/987355772.db2.gz	SRARKDYGLLTMRO-QMMMGPOBSA-N	-1	0	269.282	0.360	20	30		CCEDRM
CCc1[nH]c(CN2CCO[C@@H](C#N)C2)cc1C(=O)[O-]	ZINC001597386897	987609079	/nfs/dbraw/zinc/60/90/79/987609079.db2.gz	QGLUMAXIOAPNGW-JTQLQIEISA-N	-1	0	263.297	1.000	20	30		CCEDRM
CCc1cc(C(=O)N(CC#N)CCC(=O)[O-])c(C)nn1	ZINC001597427282	987755958	/nfs/dbraw/zinc/75/59/58/987755958.db2.gz	UZCUMNYYWCQXMW-UHFFFAOYSA-N	-1	0	276.296	0.788	20	30		CCEDRM
CCc1ccc(C#CC(=O)NCC[C@H](O)C(=O)[O-])cc1	ZINC001597494727	988038465	/nfs/dbraw/zinc/03/84/65/988038465.db2.gz	HMTADMULXDWLGZ-ZDUSSCGKSA-N	-1	0	275.304	0.552	20	30		CCEDRM
C[C@@H]1CN(C(=O)c2ccnc(C#N)c2)C[C@@H](C(=O)[O-])O1	ZINC001599864124	989216411	/nfs/dbraw/zinc/21/64/11/989216411.db2.gz	OGAGYMBCVPZVQJ-KCJUWKMLSA-N	-1	0	275.264	0.267	20	30		CCEDRM
CN(C(=O)COC(=O)C12CC(C(=O)[O-])(C1)C2)C(C)(C)C#N	ZINC001598029300	990245284	/nfs/dbraw/zinc/24/52/84/990245284.db2.gz	TYFFBGRCXMKUIK-UHFFFAOYSA-N	-1	0	294.307	0.545	20	30		CCEDRM
CN(C)C(=O)CCCn1cc(C(=O)[O-])cc(C#N)c1=O	ZINC001598124481	990551989	/nfs/dbraw/zinc/55/19/89/990551989.db2.gz	JMQSRITZWQUJET-UHFFFAOYSA-N	-1	0	277.280	0.287	20	30		CCEDRM
CC(C)(CS(=O)(=O)Nc1cnn(CC#N)c1)C(=O)[O-]	ZINC001590812420	990645489	/nfs/dbraw/zinc/64/54/89/990645489.db2.gz	SFDPSNJDKYEGAL-UHFFFAOYSA-N	-1	0	286.313	0.259	20	30		CCEDRM
CN(CC(C)(C)C#N)S(=O)(=O)c1cncc(C(=O)[O-])c1	ZINC001598419748	991754203	/nfs/dbraw/zinc/75/42/03/991754203.db2.gz	MRQBQRWAABFKFE-UHFFFAOYSA-N	-1	0	297.336	0.950	20	30		CCEDRM
CN(CCC#N)S(=O)(=O)NCc1ccoc1C(=O)[O-]	ZINC001598468552	991988135	/nfs/dbraw/zinc/98/81/35/991988135.db2.gz	GULJTJSBXILSIX-UHFFFAOYSA-N	-1	0	287.297	0.158	20	30		CCEDRM
CC(C)C[C@]1(C(=O)N(CC#N)CCC(=O)[O-])CCNC1=O	ZINC001591191146	992001035	/nfs/dbraw/zinc/00/10/35/992001035.db2.gz	QHQPRMRODNEDTP-CQSZACIVSA-N	-1	0	295.339	0.366	20	30		CCEDRM
CS(=O)(=O)c1ccc(CN(CC#N)CC(=O)[O-])o1	ZINC001599769989	992232547	/nfs/dbraw/zinc/23/25/47/992232547.db2.gz	GURYUCAHJABGHJ-UHFFFAOYSA-N	-1	0	272.282	0.093	20	30		CCEDRM
CC(C)N(CCC#N)S(=O)(=O)C1(C(=O)[O-])CCC1	ZINC001591574996	992786134	/nfs/dbraw/zinc/78/61/34/992786134.db2.gz	YCZSQWDMWSDTCE-UHFFFAOYSA-N	-1	0	274.342	0.948	20	30		CCEDRM
CN1CCC[C@@H](C(=O)N2CCC(C#N)(C(=O)[O-])CC2)C1=O	ZINC001598594129	993478967	/nfs/dbraw/zinc/47/89/67/993478967.db2.gz	PZLUBBCQZNOUTC-SNVBAGLBSA-N	-1	0	293.323	0.072	20	30		CCEDRM
COc1ccc2c(c1)C[C@H](CN(CC#N)CC(=O)[O-])O2	ZINC001599626899	994161400	/nfs/dbraw/zinc/16/14/00/994161400.db2.gz	NXMQFHVFAMWTKO-GFCCVEGCSA-N	-1	0	276.292	0.909	20	30		CCEDRM
COC(=O)[C@H]1C[C@H](C(=O)[O-])CCN1CCCC#N	ZINC001598754787	995700202	/nfs/dbraw/zinc/70/02/02/995700202.db2.gz	YUQHZHPRYBIQBZ-NXEZZACHSA-N	-1	0	254.286	0.628	20	30		CCEDRM
C[C@H](OC[C@@H]1CCCCO1)C(=O)N(CC#N)CCC(=O)[O-]	ZINC001593606482	995784977	/nfs/dbraw/zinc/78/49/77/995784977.db2.gz	QNVNPLWVETXCOK-RYUDHWBXSA-N	-1	0	298.339	0.787	20	30		CCEDRM
COC(=O)[C@@H]1CCN(C(=O)C#CC(C)(C)C)[C@@H](C(=O)[O-])C1	ZINC001598790757	996070720	/nfs/dbraw/zinc/07/07/20/996070720.db2.gz	SMAXVPOFBMZFPQ-GHMZBOCLSA-N	-1	0	295.335	0.901	20	30		CCEDRM
COC(=O)[C@@H]1CN(C(=O)C#CC(C)(C)C)C[C@@H]1C(=O)[O-]	ZINC001598804186	996168725	/nfs/dbraw/zinc/16/87/25/996168725.db2.gz	STHIWKJDPUHCNC-VHSXEESVSA-N	-1	0	281.308	0.368	20	30		CCEDRM
COC(=O)[C@@H]1CN(C[C@@H](C#N)CCC#N)C[C@H]1C(=O)[O-]	ZINC001598823734	996359002	/nfs/dbraw/zinc/35/90/02/996359002.db2.gz	WYQAMLOAHJPUAR-GMTAPVOTSA-N	-1	0	279.296	0.236	20	30		CCEDRM
CC(C)(CCNC(=O)N1CCO[C@@](C)(C#N)C1)C(=O)[O-]	ZINC001593743331	996367367	/nfs/dbraw/zinc/36/73/67/996367367.db2.gz	NMNOEIQIHHHULD-ZDUSSCGKSA-N	-1	0	283.328	0.811	20	30		CCEDRM
C[C@@]1(C(=O)N2CCC(C#N)(C(=O)[O-])CC2)CCC(=O)NC1	ZINC001593745396	996373458	/nfs/dbraw/zinc/37/34/58/996373458.db2.gz	MWOHYXAAGXEOHF-CYBMUJFWSA-N	-1	0	293.323	0.120	20	30		CCEDRM
C[C@]1(C(N)=O)CCN(c2ccc(C(=O)[O-])nc2C#N)C1	ZINC001593816063	996552551	/nfs/dbraw/zinc/55/25/51/996552551.db2.gz	RDZRWORDOCKDKM-ZDUSSCGKSA-N	-1	0	274.280	0.353	20	30		CCEDRM
CON(C(=O)c1ccc(C#N)[nH]1)[C@@H](C)CC(=O)[O-]	ZINC001599312199	997435490	/nfs/dbraw/zinc/43/54/90/997435490.db2.gz	QOURWEKEXYHSSY-ZETCQYMHSA-N	-1	0	251.242	0.753	20	30		CCEDRM
COCC[C@H](NC(=O)c1c[nH]c(C#N)c1)C(=O)[O-]	ZINC001599215405	997573325	/nfs/dbraw/zinc/57/33/25/997573325.db2.gz	VIYRGIADSPEUHA-VIFPVBQESA-N	-1	0	251.242	0.106	20	30		CCEDRM
COCC[C@@H](NC(=O)c1ccccc1OCC#N)C(=O)[O-]	ZINC001599217907	997614922	/nfs/dbraw/zinc/61/49/22/997614922.db2.gz	WQAWYRQCOMXZPV-LLVKDONJSA-N	-1	0	292.291	0.808	20	30		CCEDRM
COc1c(F)nccc1C(=O)N(CC#N)CCC(=O)[O-]	ZINC001599328593	997707593	/nfs/dbraw/zinc/70/75/93/997707593.db2.gz	LJQRWSFVGCNTPG-UHFFFAOYSA-N	-1	0	281.243	0.670	20	30		CCEDRM
COCCCn1cc(C(=O)N(CC#N)CCC(=O)[O-])cn1	ZINC001599229310	997818419	/nfs/dbraw/zinc/81/84/19/997818419.db2.gz	CHMZVSCLPPWLRT-UHFFFAOYSA-N	-1	0	294.311	0.360	20	30		CCEDRM
CO[C@@H]1CN(CC(=O)NC2(C#N)CCC2)[C@](C)(C(=O)[O-])C1	ZINC001599131474	997954343	/nfs/dbraw/zinc/95/43/43/997954343.db2.gz	NPJMLIFLCPRGOR-GWCFXTLKSA-N	-1	0	295.339	0.113	20	30		CCEDRM
C[C@@H]1[C@H](C(=O)[O-])CCN1C(=O)c1ccc(C#N)n1C	ZINC001594158561	998586376	/nfs/dbraw/zinc/58/63/76/998586376.db2.gz	IXTHTFIPLHPOCC-PSASIEDQSA-N	-1	0	261.281	0.832	20	30		CCEDRM
N#Cc1ccc(S(=O)(=O)N2CCC(C(=O)[O-])CC2)cn1	ZINC000127105892	187282172	/nfs/dbraw/zinc/28/21/72/187282172.db2.gz	YWJNWIXEPXUEOY-UHFFFAOYSA-N	-1	0	295.320	0.439	20	30		CCEDRM
CN(CCCC(=O)[O-])S(=O)(=O)c1ccc(C#N)nc1	ZINC000127101248	187282599	/nfs/dbraw/zinc/28/25/99/187282599.db2.gz	ODOJTVHGECKIRV-UHFFFAOYSA-N	-1	0	283.309	0.439	20	30		CCEDRM
N#Cc1ccc(S(=O)(=O)N2CCC[C@H]2C(=O)[O-])cn1	ZINC000127110249	187283226	/nfs/dbraw/zinc/28/32/26/187283226.db2.gz	JHZPRJDPFJIEKW-JTQLQIEISA-N	-1	0	281.293	0.191	20	30		CCEDRM
Cc1nn(C)c(C)c1[C@H](C)C(=O)N=c1[nH][n-]cc1C#N	ZINC000601638380	362335782	/nfs/dbraw/zinc/33/57/82/362335782.db2.gz	ALVZTDALVGERCP-ZETCQYMHSA-N	-1	0	272.312	0.796	20	30		CCEDRM
Cc1nn(C)c(C)c1C[C@H](C)C(=O)N=c1[nH][n-]cc1C#N	ZINC000601640651	362337146	/nfs/dbraw/zinc/33/71/46/362337146.db2.gz	KACCZEKKBORHCC-QMMMGPOBSA-N	-1	0	286.339	0.871	20	30		CCEDRM
N#Cc1ccc(S(=O)(=O)N[C@H](CC2CC2)C(=O)[O-])cn1	ZINC000287691614	231974095	/nfs/dbraw/zinc/97/40/95/231974095.db2.gz	XBXRUHZGCKFVIC-LLVKDONJSA-N	-1	0	295.320	0.485	20	30		CCEDRM
CN(C(=O)Cn1cc(C#N)c(=O)[n-]c1=O)C1CCCCC1	ZINC000602044157	362466648	/nfs/dbraw/zinc/46/66/48/362466648.db2.gz	BIWVBRANCXJONV-UHFFFAOYSA-N	-1	0	290.323	0.612	20	30		CCEDRM
C=CCSCCNC(=O)CCCc1nnn[n-]1	ZINC000602086900	362477860	/nfs/dbraw/zinc/47/78/60/362477860.db2.gz	BVCLHBVAXCHUPP-UHFFFAOYSA-N	-1	0	255.347	0.558	20	30		CCEDRM
CC[C@@H]1C[C@@H](C)CN1C(=O)Cn1cc(C#N)c(=O)[n-]c1=O	ZINC000602107684	362494413	/nfs/dbraw/zinc/49/44/13/362494413.db2.gz	OJEQWANGMVHMLM-MWLCHTKSSA-N	-1	0	290.323	0.468	20	30		CCEDRM
CCN(CCC1CC1)C(=O)Cn1cc(C#N)c(=O)[n-]c1=O	ZINC000602134537	362515023	/nfs/dbraw/zinc/51/50/23/362515023.db2.gz	GUTRNUVTIISHCZ-UHFFFAOYSA-N	-1	0	290.323	0.469	20	30		CCEDRM
CN(C(=O)CCCc1nnn[n-]1)[C@@H]1CCC[C@H]1C#N	ZINC000602195362	362551164	/nfs/dbraw/zinc/55/11/64/362551164.db2.gz	KGWJGUIWNWSCBO-VHSXEESVSA-N	-1	0	262.317	0.673	20	30		CCEDRM
CCn1cc(S(=O)(=O)[N-]c2c(C#N)cnn2C)nc1C	ZINC000093342318	136807941	/nfs/dbraw/zinc/80/79/41/136807941.db2.gz	VNKQAADNULUYFC-UHFFFAOYSA-N	-1	0	294.340	0.617	20	30		CCEDRM
N#Cc1c[nH]nc1[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1	ZINC000093335729	136808170	/nfs/dbraw/zinc/80/81/70/136808170.db2.gz	ITESTHPLYHXKPV-UHFFFAOYSA-N	-1	0	293.264	0.990	20	30		CCEDRM
C[C@](O)(CNc1ccc(C#N)cc1[N+](=O)[O-])C(=O)[O-]	ZINC000263540164	137067784	/nfs/dbraw/zinc/06/77/84/137067784.db2.gz	CDENLWLZSVENIP-NSHDSACASA-N	-1	0	265.225	0.714	20	30		CCEDRM
Cc1ncc(S(=O)(=O)N[C@@H](C)CC(=O)[O-])cc1C#N	ZINC000312113425	137076273	/nfs/dbraw/zinc/07/62/73/137076273.db2.gz	NOAZTMSTKXZPEZ-ZETCQYMHSA-N	-1	0	283.309	0.403	20	30		CCEDRM
N#Cc1ccc(S(=O)(=O)NCCn2cccc2)o1	ZINC000344187587	137182309	/nfs/dbraw/zinc/18/23/09/137182309.db2.gz	IAFSYVYPNBAGCJ-UHFFFAOYSA-N	-1	0	265.294	0.931	20	30		CCEDRM
N#Cc1ccc(S(=O)(=O)[N-][C@@H](CO)CC(F)(F)F)o1	ZINC000344722524	137209761	/nfs/dbraw/zinc/20/97/61/137209761.db2.gz	BOOZVBXKMNPWIQ-ZCFIWIBFSA-N	-1	0	298.242	0.743	20	30		CCEDRM
C[C@@H]1C[C@H](CNC(=O)N=c2[n-]n(C)cc2C#N)[C@@H](C)O1	ZINC000602888423	362867065	/nfs/dbraw/zinc/86/70/65/362867065.db2.gz	URIRSWDCILMEKK-OPRDCNLKSA-N	-1	0	277.328	0.649	20	30		CCEDRM
Cn1cc(C#N)c(=NC(=O)N[C@@H]2CO[C@H](C3CC3)C2)[n-]1	ZINC000602881149	362860281	/nfs/dbraw/zinc/86/02/81/362860281.db2.gz	IUZZEIQPKIEXKH-QWRGUYRKSA-N	-1	0	275.312	0.403	20	30		CCEDRM
COc1n[n-]c(=NC(=O)N2CCN(CCC#N)CC2)s1	ZINC000602987273	362925727	/nfs/dbraw/zinc/92/57/27/362925727.db2.gz	AHTIRDRLJFYGPF-UHFFFAOYSA-N	-1	0	296.356	0.032	20	30		CCEDRM
C[C@H](C(=O)[O-])N(C)S(=O)(=O)c1ccc(C#N)cc1	ZINC000054053306	348539573	/nfs/dbraw/zinc/53/95/73/348539573.db2.gz	WTNIZKZLXNQWML-MRVPVSSYSA-N	-1	0	268.294	0.652	20	30		CCEDRM
N#Cc1ccccc1S(=O)(=O)N[C@@H](C(=O)[O-])C1CC1	ZINC000054504707	348558250	/nfs/dbraw/zinc/55/82/50/348558250.db2.gz	YGHKQUBUZDFOIK-LLVKDONJSA-N	-1	0	280.305	0.700	20	30		CCEDRM
N#Cc1nc(NC(=O)[C@@H]2C[C@H]3CC[C@@H]2O3)[n-]c1C#N	ZINC000073106030	348943288	/nfs/dbraw/zinc/94/32/88/348943288.db2.gz	PXSMFNZLXOWTDO-XSSZXYGBSA-N	-1	0	257.253	0.659	20	30		CCEDRM
COc1ncccc1C(=O)Nc1nc(C#N)c(C#N)[n-]1	ZINC000075554947	349037690	/nfs/dbraw/zinc/03/76/90/349037690.db2.gz	YNDVHKWYVCTYFI-UHFFFAOYSA-N	-1	0	268.236	0.809	20	30		CCEDRM
N#Cc1ccc(C(=O)N[C@@]2(C(=O)[O-])CCOC2)cc1	ZINC000085850676	349335978	/nfs/dbraw/zinc/33/59/78/349335978.db2.gz	FIPAQRYJHJDHMH-ZDUSSCGKSA-N	-1	0	260.249	0.532	20	30		CCEDRM
N#Cc1ccc(S(=O)(=O)N[C@@]2(C(=O)[O-])CCOC2)cc1	ZINC000085856046	349336526	/nfs/dbraw/zinc/33/65/26/349336526.db2.gz	GZJDEWXHTAOVLR-LBPRGKRZSA-N	-1	0	296.304	0.080	20	30		CCEDRM
CO[C@@H](CNC(=O)[C@@H](C)Oc1ccccc1C#N)C(=O)[O-]	ZINC000227261677	352041743	/nfs/dbraw/zinc/04/17/43/352041743.db2.gz	VTHMSMSDCCRQIC-SKDRFNHKSA-N	-1	0	292.291	0.541	20	30		CCEDRM
C=CCSCCNC(=O)[C@H]1CC[C@H](C(=O)[O-])O1	ZINC000236452554	352195237	/nfs/dbraw/zinc/19/52/37/352195237.db2.gz	KZTFLSVACNSJEG-RKDXNWHRSA-N	-1	0	259.327	0.654	20	30		CCEDRM
N#Cc1ncccc1S(=O)(=O)N[C@@H]1CCCC[C@H]1CO	ZINC000236504323	352195807	/nfs/dbraw/zinc/19/58/07/352195807.db2.gz	IENTYGNZTMNIJE-WDEREUQCSA-N	-1	0	295.364	0.783	20	30		CCEDRM
Cc1cnn(CC(=O)Nc2nc(C#N)c(C#N)[n-]2)c1	ZINC000354538669	137580198	/nfs/dbraw/zinc/58/01/98/137580198.db2.gz	FSPHALQNRJIQJO-UHFFFAOYSA-N	-1	0	255.241	0.297	20	30		CCEDRM
C[C@@H](CCNS(=O)(=O)c1ccc(C#N)o1)CC(=O)[O-]	ZINC000287657459	353660213	/nfs/dbraw/zinc/66/02/13/353660213.db2.gz	VIFDXABMELXYQS-QMMMGPOBSA-N	-1	0	286.309	0.930	20	30		CCEDRM
COCCCO[N-]C(=O)C(=O)Nc1ccc(C#N)cc1	ZINC000287964427	353678630	/nfs/dbraw/zinc/67/86/30/353678630.db2.gz	HTRGKJJAXILNQN-UHFFFAOYSA-N	-1	0	277.280	0.581	20	30		CCEDRM
C=CCCS(=O)(=O)N1CC[C@H](C)[C@@H](C(=O)[O-])C1	ZINC000573967386	334981000	/nfs/dbraw/zinc/98/10/00/334981000.db2.gz	VVYAFKSDAPSCME-UWVGGRQHSA-N	-1	0	261.343	0.935	20	30		CCEDRM
C[C@H]1CCN(S(=O)(=O)c2ccc(C#N)o2)[C@@H]1C(=O)[O-]	ZINC000558474078	291057403	/nfs/dbraw/zinc/05/74/03/291057403.db2.gz	JTCWSTJAXOFBRD-XVKPBYJWSA-N	-1	0	284.293	0.635	20	30		CCEDRM
Cc1ncc(S(=O)(=O)[N-]c2ncccn2)cc1C#N	ZINC000336815253	355189253	/nfs/dbraw/zinc/18/92/53/355189253.db2.gz	HGJSBXXQSVVTOL-UHFFFAOYSA-N	-1	0	275.293	0.853	20	30		CCEDRM
N#Cc1cc(S(=O)(=O)NCC(=O)[O-])ccc1Cl	ZINC000340229790	355533035	/nfs/dbraw/zinc/53/30/35/355533035.db2.gz	XPUUYYUJXADHBT-UHFFFAOYSA-N	-1	0	274.685	0.575	20	30		CCEDRM
C=CCCN(C)C(=O)C(=O)N=c1ncn(C(C)(C)C)[n-]1	ZINC000343450565	355771053	/nfs/dbraw/zinc/77/10/53/355771053.db2.gz	ZTMRXKDFKKNZCW-UHFFFAOYSA-N	-1	0	279.344	0.428	20	30		CCEDRM
C=CCn1cc(C(=O)NC[C@@H](C(=O)[O-])C(C)C)nn1	ZINC000655558560	412619987	/nfs/dbraw/zinc/61/99/87/412619987.db2.gz	JLHSWRLVHNQBOR-SECBINFHSA-N	-1	0	266.301	0.551	20	30		CCEDRM
C[C@@H](Oc1cccnc1)C(=O)N=c1[n-]n(C)cc1C#N	ZINC000361919941	138038274	/nfs/dbraw/zinc/03/82/74/138038274.db2.gz	QLAPWODLKWKUPK-SECBINFHSA-N	-1	0	271.280	0.515	20	30		CCEDRM
Cn1cc(/C=C/c2nc(C(=O)[O-])ccc2C#N)nn1	ZINC000356542805	356763833	/nfs/dbraw/zinc/76/38/33/356763833.db2.gz	PCWLESIWKJCVTI-HWKANZROSA-N	-1	0	255.237	0.950	20	30		CCEDRM
CO[C@@H](C(=O)N=c1[nH][n-]c(C2CC2)c1C#N)C1CC1	ZINC000359715835	356877502	/nfs/dbraw/zinc/87/75/02/356877502.db2.gz	JJNJMMWBSHSJBI-LLVKDONJSA-N	-1	0	260.297	0.944	20	30		CCEDRM
C[C@H](NC(=O)N=c1[n-]n(C)cc1C#N)c1ccccn1	ZINC000610528136	363572785	/nfs/dbraw/zinc/57/27/85/363572785.db2.gz	PXDJGOQVIRRXPZ-VIFPVBQESA-N	-1	0	270.296	0.991	20	30		CCEDRM
Cc1nccc(CNC(=O)N=c2[n-]n(C)cc2C#N)n1	ZINC000610563286	363577486	/nfs/dbraw/zinc/57/74/86/363577486.db2.gz	YHYJBOUYDMAVLN-UHFFFAOYSA-N	-1	0	271.284	0.134	20	30		CCEDRM
CN(Cc1cccnc1)C(=O)N=c1[n-]n(C)cc1C#N	ZINC000610563759	363577762	/nfs/dbraw/zinc/57/77/62/363577762.db2.gz	GIEAERZHXHULQZ-UHFFFAOYSA-N	-1	0	270.296	0.773	20	30		CCEDRM
CSC[C@H](C)NC(=O)N=c1[n-]n(C)cc1C#N	ZINC000610561449	363576525	/nfs/dbraw/zinc/57/65/25/363576525.db2.gz	WKYNBVDLWXAQPD-ZETCQYMHSA-N	-1	0	253.331	0.587	20	30		CCEDRM
Cn1cc2c(n1)CCC[C@H]2C(=O)Nc1nc(C#N)c(C#N)[n-]1	ZINC000366893053	357250977	/nfs/dbraw/zinc/25/09/77/357250977.db2.gz	NNRQMRLOQWRCOO-MRVPVSSYSA-N	-1	0	295.306	0.945	20	30		CCEDRM
N#Cc1csc(C(=O)[N-]S(=O)(=O)[C@H]2CCOC2)c1	ZINC000408489010	358109510	/nfs/dbraw/zinc/10/95/10/358109510.db2.gz	OXGZTBSVNZOYQQ-QMMMGPOBSA-N	-1	0	286.334	0.468	20	30		CCEDRM
C[C@@H](C[C@H]1CCOC1)NC(=O)N=c1[n-]n(C)cc1C#N	ZINC000610744169	363606878	/nfs/dbraw/zinc/60/68/78/363606878.db2.gz	CUMSXKDMBFBJSM-VHSXEESVSA-N	-1	0	277.328	0.650	20	30		CCEDRM
C[C@@H](C#N)CN(C)S(=O)(=O)N[C@H](CC(F)F)C(=O)[O-]	ZINC000563227533	358557133	/nfs/dbraw/zinc/55/71/33/358557133.db2.gz	YAROSJWWKBFCCI-NKWVEPMBSA-N	-1	0	299.299	0.021	20	30		CCEDRM
C=C(C)CS(=O)(=O)NCCc1cccc(C(=O)[O-])n1	ZINC000563226154	358557161	/nfs/dbraw/zinc/55/71/61/358557161.db2.gz	MIFPZXPDOIOGLQ-UHFFFAOYSA-N	-1	0	284.337	0.818	20	30		CCEDRM
C=C[C@@H]1OCCC[C@H]1NC(=O)NC[C@H](C)C(=O)[O-]	ZINC000655878243	412674852	/nfs/dbraw/zinc/67/48/52/412674852.db2.gz	CYCIHMZBZCVKAR-AEJSXWLSSA-N	-1	0	256.302	0.740	20	30		CCEDRM
C=C[C@H](CCC(=O)[O-])NS(=O)(=O)c1cn(CC)cn1	ZINC000573080187	358934975	/nfs/dbraw/zinc/93/49/75/358934975.db2.gz	PPHKYHJVZOCIFL-SECBINFHSA-N	-1	0	287.341	0.601	20	30		CCEDRM
Cc1n[nH]c(C(=O)N[C@@]2(C#N)CCSC2)c1[O-]	ZINC000610986752	363641091	/nfs/dbraw/zinc/64/10/91/363641091.db2.gz	PMHAKNYYTGLVAH-SNVBAGLBSA-N	-1	0	252.299	0.553	20	30		CCEDRM
N#Cc1cccc(C(=O)NCCCc2n[nH]c(=O)[n-]2)n1	ZINC000589438120	359381492	/nfs/dbraw/zinc/38/14/92/359381492.db2.gz	HLUKTGIQDKWGGK-UHFFFAOYSA-N	-1	0	272.268	0.140	20	30		CCEDRM
CCC(=O)N1CSC[C@H]1C(=O)N=c1[nH][n-]c(C)c1C#N	ZINC000588714900	359332493	/nfs/dbraw/zinc/33/24/93/359332493.db2.gz	QTVPOZVVRXPGOC-VIFPVBQESA-N	-1	0	293.352	0.262	20	30		CCEDRM
Cc1[n-][nH]c(=NC(=O)c2ccccc2OCC(N)=O)c1C#N	ZINC000588716328	359333758	/nfs/dbraw/zinc/33/37/58/359333758.db2.gz	QKCYNXMRIAFDPK-UHFFFAOYSA-N	-1	0	299.290	0.128	20	30		CCEDRM
N#Cc1cnc([N-]S(=O)(=O)c2cncc(C#N)c2)s1	ZINC000589586939	359391541	/nfs/dbraw/zinc/39/15/41/359391541.db2.gz	VIOWNFZUESKAGE-UHFFFAOYSA-N	-1	0	291.317	0.504	20	30		CCEDRM
Cn1cc(C#N)c(=NC(=O)N2CC[C@@H](n3cccn3)C2)[n-]1	ZINC000589761883	359401118	/nfs/dbraw/zinc/40/11/18/359401118.db2.gz	XSXNESYEEGEUDQ-LLVKDONJSA-N	-1	0	285.311	0.389	20	30		CCEDRM
C=CCOC[C@H](NC(=O)NCCSC)C(=O)[O-]	ZINC000590899836	359537062	/nfs/dbraw/zinc/53/70/62/359537062.db2.gz	VAZBCQVLYNTIHB-QMMMGPOBSA-N	-1	0	262.331	0.304	20	30		CCEDRM
CC(C)OC(=O)[C@H](C)NC(=O)N=c1[n-]n(C)cc1C#N	ZINC000590819367	359526859	/nfs/dbraw/zinc/52/68/59/359526859.db2.gz	HPUGPSZPBZSDSO-QMMMGPOBSA-N	-1	0	279.300	0.175	20	30		CCEDRM
CC#CCN(C)C(=O)N=c1ccc(C(=O)OC)n[n-]1	ZINC000590833829	359528010	/nfs/dbraw/zinc/52/80/10/359528010.db2.gz	QKEBBXKOLMIICU-UHFFFAOYSA-N	-1	0	262.269	0.172	20	30		CCEDRM
CN1CCOC[C@@H]1C(=O)N=c1[n-]n(C(C)(C)C)cc1C#N	ZINC000591706791	359643893	/nfs/dbraw/zinc/64/38/93/359643893.db2.gz	NYAMAAHAUTXBKH-LLVKDONJSA-N	-1	0	291.355	0.201	20	30		CCEDRM
N#Cc1ccc(S(=O)(=O)[N-]C(=O)/C=C\C2CC2)cn1	ZINC000492662914	237256179	/nfs/dbraw/zinc/25/61/79/237256179.db2.gz	MPQFAXMZFHGZRC-UTCJRWHESA-N	-1	0	277.305	0.724	20	30		CCEDRM
N#CCc1ccc(NC(=O)c2n[nH]c(=O)[n-]c2=O)cc1	ZINC000611218656	363685265	/nfs/dbraw/zinc/68/52/65/363685265.db2.gz	DDAZIUOERKBUMQ-UHFFFAOYSA-N	-1	0	271.236	0.601	20	30		CCEDRM
Cc1c(C#N)c(=NC(=O)[C@H]2CCCc3nn(C)cc32)[n-]n1C	ZINC000592650116	359909686	/nfs/dbraw/zinc/90/96/86/359909686.db2.gz	NUYBHYJZMRYCDV-JTQLQIEISA-N	-1	0	298.350	0.814	20	30		CCEDRM
N#CCCCCS(=O)(=O)N(CC(=O)[O-])CC1CC1	ZINC000593222204	360052804	/nfs/dbraw/zinc/05/28/04/360052804.db2.gz	NNAYTLQXLOONQY-UHFFFAOYSA-N	-1	0	274.342	0.807	20	30		CCEDRM
N#CCCCS(=O)(=O)N(CC(=O)[O-])CC1CC1	ZINC000593221790	360052812	/nfs/dbraw/zinc/05/28/12/360052812.db2.gz	FSMGGDRPLWLTQP-UHFFFAOYSA-N	-1	0	260.315	0.417	20	30		CCEDRM
C[C@@H]1CC[C@H](C(=O)[O-])N1S(=O)(=O)c1ccc(C#N)nc1	ZINC000593218297	360052914	/nfs/dbraw/zinc/05/29/14/360052914.db2.gz	OZABQJFYVIQNSY-LDYMZIIASA-N	-1	0	295.320	0.579	20	30		CCEDRM
CC[C@@H](NS(=O)(=O)c1ccsc1C#N)C(=O)[O-]	ZINC000593252070	360056765	/nfs/dbraw/zinc/05/67/65/360056765.db2.gz	WCDJWUHWSAGLHO-ZCFIWIBFSA-N	-1	0	274.323	0.761	20	30		CCEDRM
C[C@H](C#N)CN(C)S(=O)(=O)N1CC[C@@H](C(=O)[O-])[C@H]1C	ZINC000593271276	360058843	/nfs/dbraw/zinc/05/88/43/360058843.db2.gz	GFPHRPPTEQUNRY-OPRDCNLKSA-N	-1	0	289.357	0.118	20	30		CCEDRM
C[C@H](C(=O)[O-])C1(NS(=O)(=O)CCCCC#N)CC1	ZINC000593274636	360059831	/nfs/dbraw/zinc/05/98/31/360059831.db2.gz	UITBFQZHQCZYOO-SECBINFHSA-N	-1	0	274.342	0.853	20	30		CCEDRM
N#Cc1ccc(S(=O)(=O)N[C@@H](CCF)C(=O)[O-])o1	ZINC000594574041	360333192	/nfs/dbraw/zinc/33/31/92/360333192.db2.gz	XNHUEIVJWMZZSD-ZETCQYMHSA-N	-1	0	276.245	0.242	20	30		CCEDRM
Cn1cc(C#N)c(=NC(=O)N[C@@H]2CCCOCC2)[n-]1	ZINC000611453437	363719484	/nfs/dbraw/zinc/71/94/84/363719484.db2.gz	JPXWXDCANLHNHK-SNVBAGLBSA-N	-1	0	263.301	0.404	20	30		CCEDRM
CN(C[C@@H]1CCCC[C@H]1O)C(=O)N=c1[n-]n(C)cc1C#N	ZINC000611503759	363728015	/nfs/dbraw/zinc/72/80/15/363728015.db2.gz	HYWFXCKQXLMREB-CMPLNLGQSA-N	-1	0	291.355	0.728	20	30		CCEDRM
N#Cc1cc(C(=O)N[C@H](c2nnn[n-]2)c2ccccc2)c[nH]1	ZINC000611521872	363731983	/nfs/dbraw/zinc/73/19/83/363731983.db2.gz	KDXAWDKOMPGEAB-LBPRGKRZSA-N	-1	0	293.290	0.919	20	30		CCEDRM
CN(CCC#N)C(=O)C(=O)Nc1cccnc1C(=O)[O-]	ZINC000595237993	360454559	/nfs/dbraw/zinc/45/45/59/360454559.db2.gz	MSCQEJPWVUSGMG-UHFFFAOYSA-N	-1	0	276.252	0.090	20	30		CCEDRM
N#Cc1ccnc(N2C[C@@H]3COC[C@]3(C(=O)[O-])C2)c1	ZINC000595967925	360742747	/nfs/dbraw/zinc/74/27/47/360742747.db2.gz	KQMAXKHYDPFLOR-ZWNOBZJWSA-N	-1	0	259.265	0.491	20	30		CCEDRM
C[C@@H]1[C@H]2C[C@]1(C(=O)[O-])N(S(=O)(=O)c1ccc(C#N)o1)C2	ZINC000596038469	360780387	/nfs/dbraw/zinc/78/03/87/360780387.db2.gz	KCBMSJKTAWBQEO-LWINAJNOSA-N	-1	0	296.304	0.635	20	30		CCEDRM
N#C[C@H]1CN(C(=O)NC[C@H](C(=O)[O-])C2CCC2)CCO1	ZINC000596650135	360936143	/nfs/dbraw/zinc/93/61/43/360936143.db2.gz	KXYKIOIJZBDZFR-QWRGUYRKSA-N	-1	0	281.312	0.421	20	30		CCEDRM
CC(C)[C@@H](C#N)N1CCN(C(=O)c2cc(=O)n(C)[n-]2)CC1	ZINC000597049770	361000889	/nfs/dbraw/zinc/00/08/89/361000889.db2.gz	PWUNOFASUVIQTH-GFCCVEGCSA-N	-1	0	291.355	0.432	20	30		CCEDRM
COCCN(CCC#N)C(=O)c1cc(=O)n(C)[n-]1	ZINC000597135165	361012971	/nfs/dbraw/zinc/01/29/71/361012971.db2.gz	HSFVAIFIXUMJIP-UHFFFAOYSA-N	-1	0	252.274	0.128	20	30		CCEDRM
CC(C)[C@@H](C#N)NC(=O)c1cc(S(N)(=O)=O)ccc1[O-]	ZINC000597187010	361026524	/nfs/dbraw/zinc/02/65/24/361026524.db2.gz	CILXCYIICKMWPW-SNVBAGLBSA-N	-1	0	297.336	0.318	20	30		CCEDRM
CCCn1nccc1C(=O)N=c1[n-]n(C)cc1C#N	ZINC000598817194	361521562	/nfs/dbraw/zinc/52/15/62/361521562.db2.gz	LKGZASKAMJFYIY-UHFFFAOYSA-N	-1	0	258.285	0.572	20	30		CCEDRM
C=CC[C@@H](C)[N-]S(=O)(=O)c1nn(C)cc1[N+](=O)[O-]	ZINC000599237457	361617711	/nfs/dbraw/zinc/61/77/11/361617711.db2.gz	RHJCXVJUQJMNRJ-SSDOTTSWSA-N	-1	0	274.302	0.571	20	30		CCEDRM
C=CC[C@@H](CC)NC(=O)C(=O)NC[C@H](C)C(=O)[O-]	ZINC000655985935	412724295	/nfs/dbraw/zinc/72/42/95/412724295.db2.gz	AUEANLNUBUOPEE-DTWKUNHWSA-N	-1	0	256.302	0.294	20	30		CCEDRM
Cn1cc([N+](=O)[O-])c(S(=O)(=O)[N-]CC2(C#N)CCC2)n1	ZINC000599325226	361652559	/nfs/dbraw/zinc/65/25/59/361652559.db2.gz	AERVOMLXBUPBBX-UHFFFAOYSA-N	-1	0	299.312	0.300	20	30		CCEDRM
C=CCCN(C)C(=O)C(=O)NC[C@H](C(=O)[O-])C(C)C	ZINC000656010717	412732084	/nfs/dbraw/zinc/73/20/84/412732084.db2.gz	PKZKVIWDCJSUFE-JTQLQIEISA-N	-1	0	270.329	0.494	20	30		CCEDRM
Cn1cc(C#N)c(=NC(=O)N[C@@H](CCO)c2ccco2)[n-]1	ZINC000613590072	364307097	/nfs/dbraw/zinc/30/70/97/364307097.db2.gz	QXIXOJNAXZKJAZ-JTQLQIEISA-N	-1	0	289.295	0.552	20	30		CCEDRM
C=CCN(C(=O)C(=O)NC[C@H](C(=O)[O-])C(C)C)C1CC1	ZINC000656014481	412733589	/nfs/dbraw/zinc/73/35/89/412733589.db2.gz	VCLZBXOWLGHRCS-NSHDSACASA-N	-1	0	282.340	0.636	20	30		CCEDRM
C=CCC[C@@H](CO)NC(=O)c1ccc2oc(=O)nc-2[n-]1	ZINC000616099903	365177528	/nfs/dbraw/zinc/17/75/28/365177528.db2.gz	FGLWMSQRJPSBLE-QMMMGPOBSA-N	-1	0	277.280	0.985	20	30		CCEDRM
CCn1nccc1S(=O)(=O)[N-]c1c(C#N)cnn1C	ZINC000275697487	193107339	/nfs/dbraw/zinc/10/73/39/193107339.db2.gz	JGQSCJNRVPEFJI-UHFFFAOYSA-N	-1	0	280.313	0.309	20	30		CCEDRM
C=C[C@](C)(O)C(=O)N=c1cc(-c2nccn2C)[n-][nH]1	ZINC000621925814	366930537	/nfs/dbraw/zinc/93/05/37/366930537.db2.gz	ONPYPUVKFKGQLC-LBPRGKRZSA-N	-1	0	261.285	0.108	20	30		CCEDRM
CC#CCCNC(=O)c1ccc([N-]S(C)(=O)=O)nc1	ZINC000626388402	368533121	/nfs/dbraw/zinc/53/31/21/368533121.db2.gz	PCYNBCLXNCNAJF-UHFFFAOYSA-N	-1	0	281.337	0.596	20	30		CCEDRM
C=C(CC)CNC(=O)C(=O)N1CC[C@H](C(=O)[O-])[C@H](C)C1	ZINC000627276864	368941371	/nfs/dbraw/zinc/94/13/71/368941371.db2.gz	QUPIKXJGVGUYRJ-MNOVXSKESA-N	-1	0	282.340	0.638	20	30		CCEDRM
C=CCN(CC(=O)[O-])S(=O)(=O)C[C@@H](OCC)C1CC1	ZINC000629301006	369624992	/nfs/dbraw/zinc/62/49/92/369624992.db2.gz	LYLXVYLULGAILC-LLVKDONJSA-N	-1	0	291.369	0.704	20	30		CCEDRM
C=CCCN(C)C(=O)C(=O)N1CC[C@@H](C(=O)[O-])[C@@H](C)C1	ZINC000629773142	369773002	/nfs/dbraw/zinc/77/30/02/369773002.db2.gz	ASCSVWNCLFAWBK-WDEREUQCSA-N	-1	0	282.340	0.590	20	30		CCEDRM
CC#CCN(C)C(=O)C(=O)N1CC[C@H](C(=O)[O-])[C@H](C)C1	ZINC000629781664	369773547	/nfs/dbraw/zinc/77/35/47/369773547.db2.gz	QTSDPBUQSWOHGZ-MNOVXSKESA-N	-1	0	280.324	0.037	20	30		CCEDRM
C=C(C)C[C@@H](NC(=O)COCc1ccnn1C)C(=O)[O-]	ZINC000630323179	370047057	/nfs/dbraw/zinc/04/70/57/370047057.db2.gz	ZXXFVCSSYIIDFT-LLVKDONJSA-N	-1	0	281.312	0.472	20	30		CCEDRM
C=C(C)C[C@H](NC(=O)CCCC(=O)NCC)C(=O)[O-]	ZINC000630327066	370047909	/nfs/dbraw/zinc/04/79/09/370047909.db2.gz	VVLRIPSPHZEIGW-JTQLQIEISA-N	-1	0	270.329	0.828	20	30		CCEDRM
C=CCn1cc(C(=O)N2C[C@H](OC)C[C@@]2(C)C(=O)[O-])nn1	ZINC000630308488	370040472	/nfs/dbraw/zinc/04/04/72/370040472.db2.gz	BZVAZKNBMITCFA-RNCFNFMXSA-N	-1	0	294.311	0.168	20	30		CCEDRM
C=C(C)COCCNC(=O)Cn1cc(C(=O)[O-])cn1	ZINC000630166997	369983142	/nfs/dbraw/zinc/98/31/42/369983142.db2.gz	HJRXTNBMGMRVGR-UHFFFAOYSA-N	-1	0	267.285	0.290	20	30		CCEDRM
C=CCC[C@@H](NC(=O)CN1CCCCC1=O)C(=O)[O-]	ZINC000630180182	369993055	/nfs/dbraw/zinc/99/30/55/369993055.db2.gz	AQMYESRQVNZLFM-SNVBAGLBSA-N	-1	0	268.313	0.535	20	30		CCEDRM
C=CCOCCNC(=O)N1C[C@@H](OC)C[C@@]1(C)C(=O)[O-]	ZINC000630480030	370130146	/nfs/dbraw/zinc/13/01/46/370130146.db2.gz	MBLFGADDOFQTDI-GWCFXTLKSA-N	-1	0	286.328	0.463	20	30		CCEDRM
CC(C)Cc1noc(Cn2c(=O)[n-]cc(C#N)c2=O)n1	ZINC000567860047	291526327	/nfs/dbraw/zinc/52/63/27/291526327.db2.gz	YCQLCEZHSUFTQY-UHFFFAOYSA-N	-1	0	275.268	0.038	20	30		CCEDRM
C=C(C)CN(CC)C(=O)C(=O)N1CC[C@H](C)[C@H](C(=O)[O-])C1	ZINC000574400799	335016506	/nfs/dbraw/zinc/01/65/06/335016506.db2.gz	YAVXRMLLQVEZQG-NWDGAFQWSA-N	-1	0	296.367	0.980	20	30		CCEDRM
C=CCn1cc(CNC(=O)[C@@H]2CCC[C@H]2C(=O)[O-])nn1	ZINC000634843804	372268918	/nfs/dbraw/zinc/26/89/18/372268918.db2.gz	WIHVMKRDEIYWOW-GHMZBOCLSA-N	-1	0	278.312	0.581	20	30		CCEDRM
O=C([O-])COCCNC(=O)NCC#Cc1ccccc1	ZINC000635504469	372568799	/nfs/dbraw/zinc/56/87/99/372568799.db2.gz	QCPBZCXSXQFNGB-UHFFFAOYSA-N	-1	0	276.292	0.439	20	30		CCEDRM
C=C(C)[C@H]1OCC[C@H]1CNC(=O)NCCOCC(=O)[O-]	ZINC000635513753	372575814	/nfs/dbraw/zinc/57/58/14/372575814.db2.gz	CXTLZICFGZRSCP-CMPLNLGQSA-N	-1	0	286.328	0.368	20	30		CCEDRM
C=CCC[C@@H](NC(=O)Cc1nnn(C(C)(C)C)n1)C(=O)[O-]	ZINC000656490435	412813068	/nfs/dbraw/zinc/81/30/68/412813068.db2.gz	CSFLIZGPSYZAFW-SECBINFHSA-N	-1	0	295.343	0.506	20	30		CCEDRM
C=CCOCCCNC(=O)[C@@H](C)O[C@@H](C)C(=O)[O-]	ZINC000656485355	412812614	/nfs/dbraw/zinc/81/26/14/412812614.db2.gz	CTOHMMWHWMTOJA-ZJUUUORDSA-N	-1	0	259.302	0.574	20	30		CCEDRM
C=CCNC(=O)[C@H](C)N1CCC(c2n[n-]c(=N)o2)CC1	ZINC000639727658	375955461	/nfs/dbraw/zinc/95/54/61/375955461.db2.gz	WNQMWDSYFAFYEJ-VIFPVBQESA-N	-1	0	279.344	0.352	20	30		CCEDRM
C=CC[C@@H](CO)NC(=O)N=c1[n-]nc([C@@H]2CCCO2)s1	ZINC000640735199	376515948	/nfs/dbraw/zinc/51/59/48/376515948.db2.gz	ZYWPUIQRXQAMQE-IUCAKERBSA-N	-1	0	298.368	0.870	20	30		CCEDRM
C#CCCNC(=O)[C@@H]([N-]C(=O)C(F)(F)F)C(C)C	ZINC000279006499	194248704	/nfs/dbraw/zinc/24/87/04/194248704.db2.gz	KIAYQHUBUJNYQM-QMMMGPOBSA-N	-1	0	264.247	0.829	20	30		CCEDRM
C=CCNC(=O)[C@H](C)S(=O)(=O)c1n[nH]c(C2CC2)n1	ZINC000285120896	388787613	/nfs/dbraw/zinc/78/76/13/388787613.db2.gz	PKNUUBGRIQHNJA-ZETCQYMHSA-N	-1	0	284.341	0.147	20	30		CCEDRM
C#CCCNS(=O)(=O)c1cnc(NC(C)=O)s1	ZINC000286792611	388845636	/nfs/dbraw/zinc/84/56/36/388845636.db2.gz	HANQYSKUTBPBIY-UHFFFAOYSA-N	-1	0	273.339	0.403	20	30		CCEDRM
C#CCO[N-]C(=O)Cc1csc(NC(=O)C(C)C)n1	ZINC000291179702	388918455	/nfs/dbraw/zinc/91/84/55/388918455.db2.gz	FMPDTWOVQRQJFL-UHFFFAOYSA-N	-1	0	281.337	0.961	20	30		CCEDRM
C#CCO[N-]C(=O)[C@H]1CSCN1C(=O)[C@@H](C)CC	ZINC000291253778	388919248	/nfs/dbraw/zinc/91/92/48/388919248.db2.gz	MJDCACSJXDJDGS-VHSXEESVSA-N	-1	0	270.354	0.615	20	30		CCEDRM
C#CCO[N-]C(=O)COc1cccc(N2CCCC2=O)c1	ZINC000291353339	388921260	/nfs/dbraw/zinc/92/12/60/388921260.db2.gz	XMGVAAVEKVXRSX-UHFFFAOYSA-N	-1	0	288.303	0.873	20	30		CCEDRM
C=CCN(CC(=O)[O-])C(=O)CN1CCCCCCC1=O	ZINC000191255822	389009565	/nfs/dbraw/zinc/00/95/65/389009565.db2.gz	NIMWMRXDBXMFSD-UHFFFAOYSA-N	-1	0	282.340	0.878	20	30		CCEDRM
CS(=O)(=O)[N-]c1ccc(F)cc1C(=O)NCC#N	ZINC000355542643	389091085	/nfs/dbraw/zinc/09/10/85/389091085.db2.gz	SGGYRBUGWQCZFR-UHFFFAOYSA-N	-1	0	271.273	0.451	20	30		CCEDRM
CO[C@@]1(CNC(=O)c2cccn3c([O-])nnc23)CCOC1	ZINC000329652004	389182924	/nfs/dbraw/zinc/18/29/24/389182924.db2.gz	KPAVUQMYCSNEAB-CYBMUJFWSA-N	-1	0	292.295	0.545	20	30		CCEDRM
N#CC1(CS(=O)(=O)N[C@H]2CCO[C@@H]2C2CC2)CC1	ZINC000329597932	389174299	/nfs/dbraw/zinc/17/42/99/389174299.db2.gz	CVOKFJDNLGOMCW-WDEREUQCSA-N	-1	0	270.354	0.777	20	30		CCEDRM
N#Cc1ccnc(NCCc2nc(=N)[n-]o2)c1Cl	ZINC000342292835	389207325	/nfs/dbraw/zinc/20/73/25/389207325.db2.gz	KRKXKGBJKDUZBL-UHFFFAOYSA-N	-1	0	264.676	0.479	20	30		CCEDRM
CCCc1nc(=NC(=O)c2cnn(C)c2C#N)s[n-]1	ZINC000342365035	389215934	/nfs/dbraw/zinc/21/59/34/389215934.db2.gz	PVTMKOLWHJMMHA-UHFFFAOYSA-N	-1	0	276.325	0.770	20	30		CCEDRM
CCOC(=O)c1[nH]c(=O)n(-c2cccc(C#N)c2)c1[O-]	ZINC000349280692	389410539	/nfs/dbraw/zinc/41/05/39/389410539.db2.gz	RYCTYCHDPNCYBU-SNVBAGLBSA-N	-1	0	273.248	0.546	20	30		CCEDRM
Cn1cc(C#N)cc1C(=O)Nc1nc(C#N)c(C#N)[n-]1	ZINC000175964603	389550739	/nfs/dbraw/zinc/55/07/39/389550739.db2.gz	LKFFMYNCBLNARS-UHFFFAOYSA-N	-1	0	265.236	0.616	20	30		CCEDRM
C=CCn1cc(CNC(=O)[C@H]2CCC[C@@H](C(=O)[O-])C2)nn1	ZINC000425253997	389643190	/nfs/dbraw/zinc/64/31/90/389643190.db2.gz	KZCLKWRNNXJKCS-WDEREUQCSA-N	-1	0	292.339	0.971	20	30		CCEDRM
Cc1[n-][nH]c(=NC(=O)c2ccc(C)[nH]c2=O)c1C#N	ZINC000431711487	389865028	/nfs/dbraw/zinc/86/50/28/389865028.db2.gz	NVYQFCGMACXRAI-UHFFFAOYSA-N	-1	0	257.253	0.673	20	30		CCEDRM
N#Cc1nc(NC(=O)COc2ccc(O)cc2)[n-]c1C#N	ZINC000435571576	389958267	/nfs/dbraw/zinc/95/82/67/389958267.db2.gz	WRYWHDWLKXZXMU-UHFFFAOYSA-N	-1	0	283.247	0.876	20	30		CCEDRM
N#CCC1(CNC(=O)c2c[nH]c3nc(=O)[n-]c(=O)c-3c2)CC1	ZINC000435962374	389968027	/nfs/dbraw/zinc/96/80/27/389968027.db2.gz	XKNFEXUCJYTKMX-UHFFFAOYSA-N	-1	0	299.290	0.860	20	30		CCEDRM
N#Cc1cc(NCCc2nc(=N)[n-]o2)nc2ccccc12	ZINC000433430752	389913229	/nfs/dbraw/zinc/91/32/29/389913229.db2.gz	NIUWTYCLUQVQTM-UHFFFAOYSA-N	-1	0	280.291	0.979	20	30		CCEDRM
C=CCCCNC(=O)C(=O)N1CCC[C@@H](C(=O)[O-])C1	ZINC000420567567	390013043	/nfs/dbraw/zinc/01/30/43/390013043.db2.gz	TVLYKBZBKDFVPK-SNVBAGLBSA-N	-1	0	268.313	0.392	20	30		CCEDRM
C=C(CC)CNC(=O)C(=O)N1CCC[C@@H](C(=O)[O-])C1	ZINC000420581451	390014176	/nfs/dbraw/zinc/01/41/76/390014176.db2.gz	LFUSLQZHQFSZNK-SNVBAGLBSA-N	-1	0	268.313	0.392	20	30		CCEDRM
CCn1nccc1S(=O)(=O)[N-]c1n[nH]cc1C#N	ZINC000471936704	390080138	/nfs/dbraw/zinc/08/01/38/390080138.db2.gz	KXUYQAXUGQRHME-UHFFFAOYSA-N	-1	0	266.286	0.299	20	30		CCEDRM
C=CCS(=O)(=O)[N-]C(=O)[C@H](NC(=O)OCC)C(C)C	ZINC000494591643	390184883	/nfs/dbraw/zinc/18/48/83/390184883.db2.gz	YFTFUTCEDXZJQS-SECBINFHSA-N	-1	0	292.357	0.389	20	30		CCEDRM
C=CCn1cc(C(=O)N(CC(=O)[O-])[C@@H](C)CC)nn1	ZINC000647728862	390149085	/nfs/dbraw/zinc/14/90/85/390149085.db2.gz	GWQAZXDVJSPEBG-VIFPVBQESA-N	-1	0	266.301	0.789	20	30		CCEDRM
C=CCn1cc(C(=O)N2C[C@@H](C(=O)[O-])CC[C@H]2C)nn1	ZINC000647743010	390156106	/nfs/dbraw/zinc/15/61/06/390156106.db2.gz	SZEVIYRCPAVTFA-ZJUUUORDSA-N	-1	0	278.312	0.789	20	30		CCEDRM
CC(C)n1cc(C#N)c(=NC(=O)c2cccc(=O)n2C)[n-]1	ZINC000539913591	390215010	/nfs/dbraw/zinc/21/50/10/390215010.db2.gz	WKKIMLSQUXBNGZ-UHFFFAOYSA-N	-1	0	285.307	0.709	20	30		CCEDRM
C=CCn1cc(CNC(=O)[C@@H]2CC=CC[C@@H]2C(=O)[O-])nn1	ZINC000644538322	390248635	/nfs/dbraw/zinc/24/86/35/390248635.db2.gz	UIKXGHROTCZUPD-NEPJUHHUSA-N	-1	0	290.323	0.747	20	30		CCEDRM
C=CCCCS(=O)(=O)N1CCOC[C@@H]1CC(=O)[O-]	ZINC000644629307	390269996	/nfs/dbraw/zinc/26/99/96/390269996.db2.gz	WBLZPKDXIIOMKN-JTQLQIEISA-N	-1	0	277.342	0.458	20	30		CCEDRM
C=CC[C@@H](C)NS(=O)(=O)N1CCC[C@@H]1C(=O)[O-]	ZINC000582238998	390272052	/nfs/dbraw/zinc/27/20/52/390272052.db2.gz	GSBKZIHVLNLHAV-RKDXNWHRSA-N	-1	0	262.331	0.334	20	30		CCEDRM
C=CCn1cc(CNC(=O)C2CC(C(=O)[O-])C2)nn1	ZINC000644875147	390335753	/nfs/dbraw/zinc/33/57/53/390335753.db2.gz	WJRQUMVARAHRCZ-UHFFFAOYSA-N	-1	0	264.285	0.191	20	30		CCEDRM
C=CCC[C@@H](NC(=O)CCC(=O)NCC)C(=O)[O-]	ZINC000648345117	390359689	/nfs/dbraw/zinc/35/96/89/390359689.db2.gz	XVICJMRYJHEHER-SECBINFHSA-N	-1	0	256.302	0.438	20	30		CCEDRM
C[C@H](C(=O)[O-])C1CN(S(=O)(=O)c2ccc(C#N)o2)C1	ZINC000554430758	390426924	/nfs/dbraw/zinc/42/69/24/390426924.db2.gz	NUDJKUTXPJLXLG-ZETCQYMHSA-N	-1	0	284.293	0.492	20	30		CCEDRM
Cc1c(C#N)c(=NC(=O)[C@H]2C[C@H]3CC(=O)[C@@H]2C3)[n-]n1C	ZINC000648434348	390372375	/nfs/dbraw/zinc/37/23/75/390372375.db2.gz	HQZKBSFULGEJOT-AEJSXWLSSA-N	-1	0	272.308	0.576	20	30		CCEDRM
CCN(C[C@H](C)C#N)S(=O)(=O)N[C@@H](C)[C@H](C)C(=O)[O-]	ZINC000520589709	390583761	/nfs/dbraw/zinc/58/37/61/390583761.db2.gz	DXRJNNYCUPXRPB-UTLUCORTSA-N	-1	0	291.373	0.412	20	30		CCEDRM
C=CCn1cc(C(=O)N[C@@](C)(CC)C(=O)[O-])nn1	ZINC000649244168	390535097	/nfs/dbraw/zinc/53/50/97/390535097.db2.gz	PHOHFYVSMQMZOZ-NSHDSACASA-N	-1	0	252.274	0.447	20	30		CCEDRM
C=CCn1cc(C(=O)NC2(C(=O)[O-])CCSCC2)nn1	ZINC000649246102	390536639	/nfs/dbraw/zinc/53/66/39/390536639.db2.gz	NEBHHJUYVJIVNM-UHFFFAOYSA-N	-1	0	296.352	0.544	20	30		CCEDRM
C=CCCCS(=O)(=O)N1CCC[C@H]([C@@H](O)C(=O)[O-])C1	ZINC000566807228	390651027	/nfs/dbraw/zinc/65/10/27/390651027.db2.gz	IHQMVJBEVCPNAB-WDEREUQCSA-N	-1	0	291.369	0.440	20	30		CCEDRM
Cc1[nH]c(=O)c(C#N)c(C)c1CCC(=O)N[C@@H](C)C(=O)[O-]	ZINC000566974243	390663181	/nfs/dbraw/zinc/66/31/81/390663181.db2.gz	VXTHFVXVETVYMI-VIFPVBQESA-N	-1	0	291.307	0.798	20	30		CCEDRM
C=CCOC[C@@H](NC(=O)Nc1nccs1)C(=O)[O-]	ZINC000567883079	390711468	/nfs/dbraw/zinc/71/14/68/390711468.db2.gz	KYDSOTMAMXAKCV-SSDOTTSWSA-N	-1	0	271.298	0.920	20	30		CCEDRM
N#Cc1ccc(CC(=O)NC2(c3nnn[n-]3)CCCC2)cn1	ZINC000528598972	390759856	/nfs/dbraw/zinc/75/98/56/390759856.db2.gz	JNETYHCWHLHZHW-UHFFFAOYSA-N	-1	0	297.322	0.595	20	30		CCEDRM
CCn1ncc(C#N)c1[N-]S(=O)(=O)C[C@@H](OC)C1CC1	ZINC000572602419	390791523	/nfs/dbraw/zinc/79/15/23/390791523.db2.gz	PDKIYNALAOOMHC-LLVKDONJSA-N	-1	0	298.368	0.941	20	30		CCEDRM
C=CCCCS(=O)(=O)N1C[C@@H](C)O[C@H](C(=O)[O-])C1	ZINC000530149933	390875527	/nfs/dbraw/zinc/87/55/27/390875527.db2.gz	JAHLPIATHXMECM-ZJUUUORDSA-N	-1	0	277.342	0.456	20	30		CCEDRM
CC(C)[C@@H](C)C(=O)N1CC(n2cc(C#N)c(=O)[n-]c2=O)C1	ZINC000530270822	390875881	/nfs/dbraw/zinc/87/58/81/390875881.db2.gz	WNLOKWVUGGTDRF-SECBINFHSA-N	-1	0	290.323	0.496	20	30		CCEDRM
CC[C@H](C)C(=O)N1CC(n2cc(C#N)c(=O)[n-]c2=O)C1	ZINC000530265677	390875986	/nfs/dbraw/zinc/87/59/86/390875986.db2.gz	GKAPHYMDXUREDE-QMMMGPOBSA-N	-1	0	276.296	0.250	20	30		CCEDRM
COc1ccc(=NC(=O)N[C@H](C)[C@@H]2CCOC2)[n-]n1	ZINC000329057591	533253106	/nfs/dbraw/zinc/25/31/06/533253106.db2.gz	SYKIIPVKFIORHP-RKDXNWHRSA-N	-1	0	266.301	0.658	20	30		CCEDRM
C=CCCO[C@@H](C)C(=O)N[C@H](CCOC)C(=O)[O-]	ZINC000262343256	131213868	/nfs/dbraw/zinc/21/38/68/131213868.db2.gz	XKOVSOLLBQRDIW-VHSXEESVSA-N	-1	0	259.302	0.574	20	30		CCEDRM
Cc1[n-][nH]c(=NC(=O)c2c[nH]cc(C)c2=O)c1C#N	ZINC000357230842	144071126	/nfs/dbraw/zinc/07/11/26/144071126.db2.gz	LGMFEBAXZLYDFT-UHFFFAOYSA-N	-1	0	257.253	0.261	20	30		CCEDRM
CCC(=O)N1CCC[C@H](C(=O)N=c2[nH][n-]c(C)c2C#N)C1	ZINC000357233850	144071322	/nfs/dbraw/zinc/07/13/22/144071322.db2.gz	RGLQLVGQBMWIDA-JTQLQIEISA-N	-1	0	289.339	0.599	20	30		CCEDRM
CCCN(CC)C(=O)C(=O)N=c1[n-]n(C(C)C)cc1C#N	ZINC000359128804	144195869	/nfs/dbraw/zinc/19/58/69/144195869.db2.gz	IIICUTQDBJGMFT-UHFFFAOYSA-N	-1	0	291.355	0.955	20	30		CCEDRM
C[C@@H](CC(=O)[O-])NS(=O)(=O)c1ccc(C#N)cc1F	ZINC000548212402	286016813	/nfs/dbraw/zinc/01/68/13/286016813.db2.gz	YKSOCPUWQXJUOO-ZETCQYMHSA-N	-1	0	286.284	0.839	20	30		CCEDRM
C[C@H](CCC(=O)[O-])CNS(=O)(=O)c1ccc(C#N)o1	ZINC000548768410	286066775	/nfs/dbraw/zinc/06/67/75/286066775.db2.gz	AJOKXJIYSHIDSE-MRVPVSSYSA-N	-1	0	286.309	0.930	20	30		CCEDRM
C=CCOC[C@H](NC(=O)[C@H]1CC[C@H](OC)C1)C(=O)[O-]	ZINC000659155614	413317489	/nfs/dbraw/zinc/31/74/89/413317489.db2.gz	FEJHPQWXKZGIKM-DCAQKATOSA-N	-1	0	271.313	0.574	20	30		CCEDRM
C=CCC1(NC(=O)[C@H]2CC[C@H](C(=O)[O-])O2)CCOCC1	ZINC000659188222	413334569	/nfs/dbraw/zinc/33/45/69/413334569.db2.gz	CEWPZBRPTKLIDT-GHMZBOCLSA-N	-1	0	283.324	0.860	20	30		CCEDRM
C=C(C)CS(=O)(=O)N[C@H](Cc1ccncc1)C(=O)[O-]	ZINC000653496173	412308536	/nfs/dbraw/zinc/30/85/36/412308536.db2.gz	HROVJABBFAMENW-LLVKDONJSA-N	-1	0	284.337	0.573	20	30		CCEDRM
C=CCCCNC(=O)N1C[C@@H]2COC[C@]2(C(=O)[O-])C1	ZINC000659403719	413478062	/nfs/dbraw/zinc/47/80/62/413478062.db2.gz	RHLBXEWRHYAHTH-ZWNOBZJWSA-N	-1	0	268.313	0.695	20	30		CCEDRM
C=CCOCCNC(=O)N[C@]1(C(=O)[O-])CCSC1	ZINC000654814001	412440772	/nfs/dbraw/zinc/44/07/72/412440772.db2.gz	OIQUEMNJATXLJG-LLVKDONJSA-N	-1	0	274.342	0.449	20	30		CCEDRM
C=CCOCCNC(=O)N[C@@H](C/C=C\C)C(=O)[O-]	ZINC000654813995	412441338	/nfs/dbraw/zinc/44/13/38/412441338.db2.gz	OCGWTIVATRJILP-ATPLWMGHSA-N	-1	0	256.302	0.908	20	30		CCEDRM
C[C@H](C(=O)N(C)C)S(=O)(=O)[N-]c1ccc(C#N)cn1	ZINC000285280092	196239161	/nfs/dbraw/zinc/23/91/61/196239161.db2.gz	QFQWZFHYVFKJTB-MRVPVSSYSA-N	-1	0	282.325	0.172	20	30		CCEDRM
C=CCCNC(=O)C(=O)NC[C@H](CC(=O)[O-])CC(C)C	ZINC000659665848	413763269	/nfs/dbraw/zinc/76/32/69/413763269.db2.gz	YEXHTDARVPMGRR-NSHDSACASA-N	-1	0	284.356	0.932	20	30		CCEDRM
C=CCN(CC=C)C(=O)CN(CC)[C@H](C)C(=O)[O-]	ZINC000662218587	414697740	/nfs/dbraw/zinc/69/77/40/414697740.db2.gz	YJQGRRIXCSKAIC-LLVKDONJSA-N	-1	0	254.330	0.982	20	30		CCEDRM
C=CC[C@@H]1CCCN(C(=O)C(=O)N(C)CCC(=O)[O-])C1	ZINC000662912534	414886582	/nfs/dbraw/zinc/88/65/82/414886582.db2.gz	HIKDEEWSMLLCBV-LLVKDONJSA-N	-1	0	282.340	0.734	20	30		CCEDRM
C=CCn1cc(CNC(=O)[C@H](C(=O)[O-])C(C)(C)C)nn1	ZINC000663055670	414966011	/nfs/dbraw/zinc/96/60/11/414966011.db2.gz	CEXXTZCPBZOHGS-SNVBAGLBSA-N	-1	0	280.328	0.827	20	30		CCEDRM
C[C@H](NS(=O)(=O)c1ccc(F)c(C#N)c1)C(=O)[O-]	ZINC000071238325	176093722	/nfs/dbraw/zinc/09/37/22/176093722.db2.gz	KPVNGYCWJVJNJN-LURJTMIESA-N	-1	0	272.257	0.449	20	30		CCEDRM
C#C[C@@H](NS(=O)(=O)c1cccnc1[N+](=O)[O-])C(C)C	ZINC000490949965	261262903	/nfs/dbraw/zinc/26/29/03/261262903.db2.gz	NLUSXGRTPWHZSW-SECBINFHSA-N	-1	0	283.309	0.926	20	30		CCEDRM
N#CCCCS(=O)(=O)N[C@H]1C=C[C@H](C(=O)[O-])C1	ZINC000274926234	263031478	/nfs/dbraw/zinc/03/14/78/263031478.db2.gz	BPKKYNFZXLBSQQ-IUCAKERBSA-N	-1	0	258.299	0.239	20	30		CCEDRM
N#CCCCS(=O)(=O)N[C@@H]1C=C[C@H](C(=O)[O-])C1	ZINC000274926232	263031698	/nfs/dbraw/zinc/03/16/98/263031698.db2.gz	BPKKYNFZXLBSQQ-DTWKUNHWSA-N	-1	0	258.299	0.239	20	30		CCEDRM
CN(CCC#N)S(=O)(=O)NCCCCCC(=O)[O-]	ZINC000340449161	263155293	/nfs/dbraw/zinc/15/52/93/263155293.db2.gz	BCXDQMNIENSHQW-UHFFFAOYSA-N	-1	0	277.346	0.311	20	30		CCEDRM
C[C@H](C[C@H](C)O)NC(=O)c1cccn2c([O-])nnc12	ZINC000330838155	264051831	/nfs/dbraw/zinc/05/18/31/264051831.db2.gz	WXTAINFKPRGLOY-SFYZADRCSA-N	-1	0	264.285	0.899	20	30		CCEDRM
COC[C@H](O)CNS(=O)(=O)CC1(C#N)CCCCC1	ZINC000331043823	264108008	/nfs/dbraw/zinc/10/80/08/264108008.db2.gz	DTMQTBGNTFZVIB-LLVKDONJSA-N	-1	0	290.385	0.387	20	30		CCEDRM
CCN(C)C(=O)C/N=C(/[O-])c1cnc2n(c1=O)CCS2	ZINC000331059637	264109738	/nfs/dbraw/zinc/10/97/38/264109738.db2.gz	SPSHNNYHQAWAHD-UHFFFAOYSA-N	-1	0	296.352	0.132	20	30		CCEDRM
C=CC[C@H](NS(=O)(=O)C[C@@H]1CCCO1)C(=O)[O-]	ZINC000161291544	264279521	/nfs/dbraw/zinc/27/95/21/264279521.db2.gz	ISTUXOXQLAUPPG-IUCAKERBSA-N	-1	0	263.315	0.114	20	30		CCEDRM
C#CCO[N-]C(=O)[C@@H]1CCCCN1C(=O)CCC	ZINC000291233656	264817450	/nfs/dbraw/zinc/81/74/50/264817450.db2.gz	KOWIACSITBRKGV-NSHDSACASA-N	-1	0	252.314	0.849	20	30		CCEDRM
C#CCO[N-]C(=O)[C@H](C)NC(=O)OCc1ccccc1	ZINC000291334978	264823145	/nfs/dbraw/zinc/82/31/45/264823145.db2.gz	VDTWMHXSVASUHN-NSHDSACASA-N	-1	0	276.292	0.982	20	30		CCEDRM
C=C(CC)CNS(=O)(=O)c1cc(C(=O)[O-])n(C)c1	ZINC000313476709	265371620	/nfs/dbraw/zinc/37/16/20/265371620.db2.gz	ABILRDWIXJHWAJ-UHFFFAOYSA-N	-1	0	272.326	0.968	20	30		CCEDRM
C[C@H]1[C@@H](C(=O)[O-])CCN1S(=O)(=O)CCCC#N	ZINC000370294180	267307709	/nfs/dbraw/zinc/30/77/09/267307709.db2.gz	MGDQBGQIFZPDHE-IUCAKERBSA-N	-1	0	260.315	0.415	20	30		CCEDRM
CC(C)[C@H](C(=O)NCc1n[nH]c(=O)[n-]1)N1CCCC1=O	ZINC000330045845	280133722	/nfs/dbraw/zinc/13/37/22/280133722.db2.gz	GNICFTUXZCIQBE-SNVBAGLBSA-N	-1	0	281.316	0.614	20	30		CCEDRM
Cc1cccc(S(=O)(=O)N2CC[C@H]2C(=O)[O-])c1C#N	ZINC000291035608	302013304	/nfs/dbraw/zinc/01/33/04/302013304.db2.gz	XQNYKFVVXHYXSV-JTQLQIEISA-N	-1	0	280.305	0.714	20	30		CCEDRM
N#Cc1c(F)cccc1N1CCS(=O)(=O)[C@@H](C(=O)[O-])C1	ZINC000424465091	303176700	/nfs/dbraw/zinc/17/67/00/303176700.db2.gz	FDFYOEBUCXUDOY-LLVKDONJSA-N	-1	0	298.295	0.385	20	30		CCEDRM
N#Cc1ccc(S(=O)(=O)N2CCCC[C@H]2C(=O)[O-])cn1	ZINC000132367884	303196924	/nfs/dbraw/zinc/19/69/24/303196924.db2.gz	DASKZNFWHMHWCF-NSHDSACASA-N	-1	0	295.320	0.581	20	30		CCEDRM
N#Cc1ccc(S(=O)(=O)N2CCOC[C@H]2C(=O)[O-])cc1	ZINC000088376897	303197700	/nfs/dbraw/zinc/19/77/00/303197700.db2.gz	QTGPDYIHMONLLE-NSHDSACASA-N	-1	0	296.304	0.032	20	30		CCEDRM
N#Cc1nc(NC(=O)[C@H]2CCc3c[nH]nc3C2)[n-]c1C#N	ZINC000438967987	303216782	/nfs/dbraw/zinc/21/67/82/303216782.db2.gz	POBOGEVNTPEFIE-ZETCQYMHSA-N	-1	0	281.279	0.620	20	30		CCEDRM
C[C@H](CC#N)N(C)S(=O)(=O)NC1(C(=O)[O-])CCC1	ZINC000563225950	327981825	/nfs/dbraw/zinc/98/18/25/327981825.db2.gz	KVJKEZLKNMRWME-MRVPVSSYSA-N	-1	0	275.330	0.062	20	30		CCEDRM
N#CCCCCS(=O)(=O)NC1(C(=O)[O-])CCCC1	ZINC000534049112	328034170	/nfs/dbraw/zinc/03/41/70/328034170.db2.gz	ZIULDFKJEXJXQS-UHFFFAOYSA-N	-1	0	274.342	0.997	20	30		CCEDRM
CCN(C[C@@H](C)C#N)S(=O)(=O)NC1(C(=O)[O-])CCC1	ZINC000571288639	328098479	/nfs/dbraw/zinc/09/84/79/328098479.db2.gz	DWZAFRXPFPHKOR-VIFPVBQESA-N	-1	0	289.357	0.310	20	30		CCEDRM
C=CC[C@H](NS(=O)(=O)c1cnn(C)c1C)C(=O)[O-]	ZINC000291823861	328121789	/nfs/dbraw/zinc/12/17/89/328121789.db2.gz	FIJKOBBMIKIGQN-QMMMGPOBSA-N	-1	0	273.314	0.036	20	30		CCEDRM
C=C[C@@H](CCC(=O)[O-])NS(=O)(=O)N(C)[C@H](C)CC#N	ZINC000571645735	328190090	/nfs/dbraw/zinc/19/00/90/328190090.db2.gz	ITMVSACMBGSARP-ZJUUUORDSA-N	-1	0	289.357	0.474	20	30		CCEDRM
Cn1cnc([N-]S(=O)(=O)Cc2ccc(CC#N)cc2)n1	ZINC000577110440	327078272	/nfs/dbraw/zinc/07/82/72/327078272.db2.gz	QTRSRDMNLLQIDH-UHFFFAOYSA-N	-1	0	291.336	0.823	20	30		CCEDRM
C=CCS(=O)(=O)[N-]C(=O)[C@@H]1CCCC[C@@H]1OC	ZINC000408130833	327104667	/nfs/dbraw/zinc/10/46/67/327104667.db2.gz	FLIQDSVCYYSDJW-ZJUUUORDSA-N	-1	0	261.343	0.824	20	30		CCEDRM
CC(C)[C@H](CC(=O)[O-])NS(=O)(=O)N(C)[C@@H](C)CC#N	ZINC000584294670	327224902	/nfs/dbraw/zinc/22/49/02/327224902.db2.gz	BWEBYZFIDPMOKJ-UWVGGRQHSA-N	-1	0	291.373	0.554	20	30		CCEDRM
C=C(C)CS(=O)(=O)N[C@H](Cn1cc(C)cn1)C(=O)[O-]	ZINC000564730759	327449949	/nfs/dbraw/zinc/44/99/49/327449949.db2.gz	HBEYZMYRDZTTRZ-SNVBAGLBSA-N	-1	0	287.341	0.140	20	30		CCEDRM
CNS(=O)(=O)c1cc(NC(=O)[C@H](C)C#N)ccc1[O-]	ZINC000357338985	328869558	/nfs/dbraw/zinc/86/95/58/328869558.db2.gz	QWGIWVRWSTYDQA-SSDOTTSWSA-N	-1	0	283.309	0.398	20	30		CCEDRM
C=CCCS(=O)(=O)N[C@@]1(CC(=O)[O-])CCOC1	ZINC000583748221	329472387	/nfs/dbraw/zinc/47/23/87/329472387.db2.gz	VDFOGXFXINIZJR-SNVBAGLBSA-N	-1	0	263.315	0.116	20	30		CCEDRM
C=CCCCS(=O)(=O)N1CC(C)(C)OC[C@@H]1C(=O)[O-]	ZINC000564051722	329661571	/nfs/dbraw/zinc/66/15/71/329661571.db2.gz	SNBSBQFNWFTDQI-SNVBAGLBSA-N	-1	0	291.369	0.846	20	30		CCEDRM
C=CCCCCCN(C)C(=O)C(=O)NCCC(=O)[O-]	ZINC000420603453	329778801	/nfs/dbraw/zinc/77/88/01/329778801.db2.gz	VHXJBZOQKXKHEX-UHFFFAOYSA-N	-1	0	270.329	0.782	20	30		CCEDRM
N#CC1(CS(=O)(=O)NCC(=O)[O-])CCCCC1	ZINC000262344781	330007227	/nfs/dbraw/zinc/00/72/27/330007227.db2.gz	ABRJTEKCENASQQ-UHFFFAOYSA-N	-1	0	260.315	0.464	20	30		CCEDRM
C=CCC[C@H](NC(=O)COc1c(C)nn(C)c1C)C(=O)[O-]	ZINC000262780215	330031125	/nfs/dbraw/zinc/03/11/25/330031125.db2.gz	BAAHRNJIOWMOAW-NSHDSACASA-N	-1	0	295.339	0.951	20	30		CCEDRM
C=CCOC[C@H](NC(=O)c1cccnc1OC)C(=O)[O-]	ZINC000262875796	330036051	/nfs/dbraw/zinc/03/60/51/330036051.db2.gz	BTCHCYLKYQVNSW-JTQLQIEISA-N	-1	0	280.280	0.476	20	30		CCEDRM
C=CCC[C@H](NC(=O)[C@@H](C)NC(=O)c1ccoc1)C(=O)[O-]	ZINC000262912465	330036807	/nfs/dbraw/zinc/03/68/07/330036807.db2.gz	NHXQJUZJHDDUFZ-KOLCDFICSA-N	-1	0	294.307	0.934	20	30		CCEDRM
C[C@H]1CC[C@H](C(=O)[O-])CN1S(=O)(=O)CCCC#N	ZINC000263159228	330046495	/nfs/dbraw/zinc/04/64/95/330046495.db2.gz	QJIISKMRHHAKBC-UWVGGRQHSA-N	-1	0	274.342	0.805	20	30		CCEDRM
C#C[C@H](NC(=O)N1CCC[C@@H](C(=O)[O-])C1)[C@@H]1CCCO1	ZINC000263323074	330052204	/nfs/dbraw/zinc/05/22/04/330052204.db2.gz	AUZSTCSLNRXGSY-WOPDTQHZSA-N	-1	0	280.324	0.673	20	30		CCEDRM
C=CCOc1cccnc1C(=O)NCCOCC(=O)[O-]	ZINC000263378462	330053418	/nfs/dbraw/zinc/05/34/18/330053418.db2.gz	BDNRHXNZJRVSKV-UHFFFAOYSA-N	-1	0	280.280	0.477	20	30		CCEDRM
CCCN(CC(=O)[O-])S(=O)(=O)N(C)C[C@@H](C)C#N	ZINC000263451038	330056489	/nfs/dbraw/zinc/05/64/89/330056489.db2.gz	ANOVDOXQKZWNLV-VIFPVBQESA-N	-1	0	277.346	0.119	20	30		CCEDRM
CCCC[C@H](NS(=O)(=O)N(CC)CCC#N)C(=O)[O-]	ZINC000263471972	330057105	/nfs/dbraw/zinc/05/71/05/330057105.db2.gz	IAGVOMZNGJXAMG-JTQLQIEISA-N	-1	0	291.373	0.700	20	30		CCEDRM
C#CCNC(=O)c1ccc(N[C@H](C(=O)[O-])C(C)C)nc1	ZINC000263518811	330058711	/nfs/dbraw/zinc/05/87/11/330058711.db2.gz	PXEYSXHNOBMYGZ-LBPRGKRZSA-N	-1	0	275.308	0.966	20	30		CCEDRM
CCCC[C@@H](NS(=O)(=O)N(C)[C@H](C)CC#N)C(=O)[O-]	ZINC000263550867	330059426	/nfs/dbraw/zinc/05/94/26/330059426.db2.gz	KSGXWHJJJIZWNJ-NXEZZACHSA-N	-1	0	291.373	0.698	20	30		CCEDRM
CC(C)[C@H](NS(=O)(=O)N(C)[C@H](C)CC#N)C(=O)[O-]	ZINC000263553320	330059443	/nfs/dbraw/zinc/05/94/43/330059443.db2.gz	MLTDRJVDTODAAF-BDAKNGLRSA-N	-1	0	277.346	0.164	20	30		CCEDRM
CCN(CCC#N)S(=O)(=O)N1CCC[C@H]1C(=O)[O-]	ZINC000263560031	330059628	/nfs/dbraw/zinc/05/96/28/330059628.db2.gz	QTCMENDKOVBKMI-VIFPVBQESA-N	-1	0	275.330	0.016	20	30		CCEDRM
C[C@@H]1CC[C@H](C(=O)[O-])CN1S(=O)(=O)N(C)CCC#N	ZINC000422552390	330149139	/nfs/dbraw/zinc/14/91/39/330149139.db2.gz	HCTVZJNOVVWZGZ-ZJUUUORDSA-N	-1	0	289.357	0.262	20	30		CCEDRM
C=C(C)C[C@H](C)C(=O)N1CCS(=O)(=O)[C@@H](C(=O)[O-])C1	ZINC000424242229	330331199	/nfs/dbraw/zinc/33/11/99/330331199.db2.gz	LZTJKYUWTIFANA-VHSXEESVSA-N	-1	0	289.353	0.299	20	30		CCEDRM
CC(C)C[C@@H](CNC(=O)C(=O)NCCCCC#N)C(=O)[O-]	ZINC000424529585	330367492	/nfs/dbraw/zinc/36/74/92/330367492.db2.gz	ZLBOKULBVWPSSH-NSHDSACASA-N	-1	0	297.355	0.660	20	30		CCEDRM
CCC(CC)(CNC(=O)N1CCO[C@@H](C#N)C1)C(=O)[O-]	ZINC000165183612	331306074	/nfs/dbraw/zinc/30/60/74/331306074.db2.gz	AOJDGZYLRDACGL-JTQLQIEISA-N	-1	0	283.328	0.811	20	30		CCEDRM
C#C[C@H](NC(=O)c1c[nH]c2nc(=O)[n-]c(=O)c-2c1)C(C)C	ZINC000490629501	332097046	/nfs/dbraw/zinc/09/70/46/332097046.db2.gz	LYRGQZWVDXBKQO-JTQLQIEISA-N	-1	0	286.291	0.824	20	30		CCEDRM
C#CCN(CC#N)C(=O)c1cc([O-])ccc1[N+](=O)[O-]	ZINC000491219044	332167781	/nfs/dbraw/zinc/16/77/81/332167781.db2.gz	BTWRLMIVCJTRAD-UHFFFAOYSA-N	-1	0	259.221	0.899	20	30		CCEDRM
C=CCN(C)C(=O)C(=O)N1CC[C@H](C)[C@H](C(=O)[O-])C1	ZINC000575749048	335111780	/nfs/dbraw/zinc/11/17/80/335111780.db2.gz	KOYBQSUGOCTUDV-VHSXEESVSA-N	-1	0	268.313	0.200	20	30		CCEDRM
C[C@H](C#N)CN(C)S(=O)(=O)NCCC[C@H](C)C(=O)[O-]	ZINC000566313338	334642429	/nfs/dbraw/zinc/64/24/29/334642429.db2.gz	URDGAZQDFNQTCQ-ZJUUUORDSA-N	-1	0	291.373	0.413	20	30		CCEDRM
C=CC1CCN(S(=O)(=O)N2CCC[C@H]2C(=O)[O-])CC1	ZINC000568862251	334843659	/nfs/dbraw/zinc/84/36/59/334843659.db2.gz	ITWRWXFDYLOIJL-NSHDSACASA-N	-1	0	288.369	0.678	20	30		CCEDRM
C=CCC[C@@H](NS(=O)(=O)N1CCC[C@H]1C)C(=O)[O-]	ZINC000575927306	335132220	/nfs/dbraw/zinc/13/22/20/335132220.db2.gz	AUXVOXABKHGJFI-NXEZZACHSA-N	-1	0	276.358	0.725	20	30		CCEDRM
C=CCN(CC=C)S(=O)(=O)N1CCC[C@@H](C(=O)[O-])C1	ZINC000037656136	333535471	/nfs/dbraw/zinc/53/54/71/333535471.db2.gz	DENIOHJQSZONRQ-LLVKDONJSA-N	-1	0	288.369	0.702	20	30		CCEDRM
CN(CCC#N)S(=O)(=O)Nc1cccc(CC(=O)[O-])c1	ZINC000548194072	334146131	/nfs/dbraw/zinc/14/61/31/334146131.db2.gz	SXEZTWRQOFBVML-UHFFFAOYSA-N	-1	0	297.336	0.816	20	30		CCEDRM
C=C(C)CS(=O)(=O)N[C@@H](CC(=O)[O-])C1CCOCC1	ZINC000564659959	334515478	/nfs/dbraw/zinc/51/54/78/334515478.db2.gz	CHURYFYRUAPHMZ-NSHDSACASA-N	-1	0	291.369	0.752	20	30		CCEDRM
CC(C)[C@@H](CC(=O)[O-])NS(=O)(=O)CCCC#N	ZINC000567324195	334703212	/nfs/dbraw/zinc/70/32/12/334703212.db2.gz	WONLSEDNPCTJCC-SECBINFHSA-N	-1	0	262.331	0.709	20	30		CCEDRM
C=CCC[C@H](NS(=O)(=O)c1c[nH]cn1)C(=O)[O-]	ZINC000316380849	334820280	/nfs/dbraw/zinc/82/02/80/334820280.db2.gz	SUOHWIJDJTUJHI-ZETCQYMHSA-N	-1	0	259.287	0.107	20	30		CCEDRM
C=C[C@H](CCC(=O)[O-])NS(=O)(=O)c1ccco1	ZINC000573181968	334915124	/nfs/dbraw/zinc/91/51/24/334915124.db2.gz	GPUUPSRPORIYEH-MRVPVSSYSA-N	-1	0	259.283	0.977	20	30		CCEDRM
CC[C@@H](NC(=O)C(=O)Nc1cc(C)cc(C#N)c1)C(=O)[O-]	ZINC000577214550	335323798	/nfs/dbraw/zinc/32/37/98/335323798.db2.gz	JWYCAJNYJFXYRO-LLVKDONJSA-N	-1	0	289.291	0.785	20	30		CCEDRM
C=CCN(CC(=O)[O-])S(=O)(=O)c1cnc(C)c(C#N)c1	ZINC000380643463	336010096	/nfs/dbraw/zinc/01/00/96/336010096.db2.gz	NXBLGAUIFVMJSA-UHFFFAOYSA-N	-1	0	295.320	0.523	20	30		CCEDRM
C=CCCO[C@H](C)C(=O)N(C)Cc1n[n-]c(=O)o1	ZINC000673479024	545284483	/nfs/dbraw/zinc/28/44/83/545284483.db2.gz	ITHZGGNXHLLGGM-MRVPVSSYSA-N	-1	0	255.274	0.715	20	30		CCEDRM
C=CC[C@H](NS(=O)(=O)c1cc(C)cnc1N)C(=O)[O-]	ZINC000681557784	545456274	/nfs/dbraw/zinc/45/62/74/545456274.db2.gz	FLYFKHDZJXCMCA-QMMMGPOBSA-N	-1	0	285.325	0.280	20	30		CCEDRM
C=CCN1CC[C@H](N(C)C(=O)c2n[nH]c(C)c2[O-])C1=O	ZINC000684988312	545779007	/nfs/dbraw/zinc/77/90/07/545779007.db2.gz	VHDBRGCFGOOQQD-VIFPVBQESA-N	-1	0	278.312	0.283	20	30		CCEDRM
CCN(CCC#N)C(=O)CN1CCC[C@@H](N(C)C(=O)[O-])C1	ZINC000739416376	581133201	/nfs/dbraw/zinc/13/32/01/581133201.db2.gz	ZWRKHBLCLNWEFF-GFCCVEGCSA-N	-1	0	296.371	0.823	20	30		CCEDRM
O=C([O-])c1cc(C=NN2CCOCC2)ccc1O	ZINC000777420570	581114963	/nfs/dbraw/zinc/11/49/63/581114963.db2.gz	DJJIWLOAHHPUQG-UHFFFAOYSA-N	-1	0	250.254	0.757	20	30		CCEDRM
N#C[C@H]1CN(Cn2ncc3cc(C(=O)[O-])ccc32)CCO1	ZINC000739070279	581166180	/nfs/dbraw/zinc/16/61/80/581166180.db2.gz	YSGAQJQOVHDHDL-LBPRGKRZSA-N	-1	0	286.291	0.916	20	30		CCEDRM
N#CCN(CC(=O)[O-])C(=O)/C=C/c1cncc(F)c1	ZINC000739078122	581172238	/nfs/dbraw/zinc/17/22/38/581172238.db2.gz	YDQDLCLEGGOTBB-OWOJBTEDSA-N	-1	0	263.228	0.671	20	30		CCEDRM
N#Cc1cc(C(=O)[O-])cn(C[C@@H]2CCOCO2)c1=O	ZINC000739093395	581176167	/nfs/dbraw/zinc/17/61/67/581176167.db2.gz	QZUASDZUXOZDEM-JTQLQIEISA-N	-1	0	264.237	0.181	20	30		CCEDRM
CC[C@@H](OC)C(=O)[N-]S(=O)(=O)CC1(C#N)CCCC1	ZINC000779321766	581180440	/nfs/dbraw/zinc/18/04/40/581180440.db2.gz	RWJABDLRMIBVAR-SNVBAGLBSA-N	-1	0	288.369	0.941	20	30		CCEDRM
COc1cc(C=NNC2=NC[C@H](C)N2)cc([N+](=O)[O-])c1[O-]	ZINC000779798370	581206153	/nfs/dbraw/zinc/20/61/53/581206153.db2.gz	OICDWBRSXIUKLE-ZETCQYMHSA-N	-1	0	293.283	0.580	20	30		CCEDRM
C=CCCO[C@H](C)C(=O)N1CC(n2cc(C(=O)[O-])nn2)C1	ZINC000780318698	581224908	/nfs/dbraw/zinc/22/49/08/581224908.db2.gz	ZVDLTPGTOQKRLS-SECBINFHSA-N	-1	0	294.311	0.341	20	30		CCEDRM
C=CCC1(C(=O)[N-]S(=O)(=O)[C@H]2CCOC2)CCC1	ZINC000791812652	581235177	/nfs/dbraw/zinc/23/51/77/581235177.db2.gz	ZWHOZOBCRAODSU-JTQLQIEISA-N	-1	0	273.354	0.968	20	30		CCEDRM
C=CCOCC(=O)[N-]S(=O)(=O)c1cnn(CC2CC2)c1	ZINC000781727139	581275692	/nfs/dbraw/zinc/27/56/92/581275692.db2.gz	GMWRWQUECPNWCX-UHFFFAOYSA-N	-1	0	299.352	0.301	20	30		CCEDRM
CNC(=O)C(C#N)=C([O-])c1cnc(OCC2CC2)cn1	ZINC000793124579	581285021	/nfs/dbraw/zinc/28/50/21/581285021.db2.gz	LTDLDSDBHPSAPW-SECBINFHSA-N	-1	0	274.280	0.334	20	30		CCEDRM
N#Cc1ccc(S(=O)(=O)N(CC(=O)[O-])C2CC2)c(F)c1	ZINC000738434831	581320116	/nfs/dbraw/zinc/32/01/16/581320116.db2.gz	PJKVUVVUFFMSDY-UHFFFAOYSA-N	-1	0	298.295	0.935	20	30		CCEDRM
C#CCCNC(=O)c1cn(C2CCN(C(=O)[O-])CC2)nn1	ZINC000738456884	581331065	/nfs/dbraw/zinc/33/10/65/581331065.db2.gz	DLXJIUDKHPDXPU-UHFFFAOYSA-N	-1	0	291.311	0.346	20	30		CCEDRM
N#Cc1c[n-]n2c1nc(COC(=O)[C@@H]1CCOC1)cc2=O	ZINC000783236913	581341254	/nfs/dbraw/zinc/34/12/54/581341254.db2.gz	YCCJNIBBNHOJML-MRVPVSSYSA-N	-1	0	288.263	0.386	20	30		CCEDRM
C=C(Br)COC(=O)[C@H]1C[C@@H](O)CN1C(=O)[O-]	ZINC000738470529	581343760	/nfs/dbraw/zinc/34/37/60/581343760.db2.gz	JFTFDVUPLXWMAY-RNFRBKRXSA-N	-1	0	294.101	0.551	20	30		CCEDRM
COCCNC(=O)C(C#N)=C([O-])c1cccc(C(C)=O)c1	ZINC000783349282	581345707	/nfs/dbraw/zinc/34/57/07/581345707.db2.gz	FNWNLSXKGDXFQK-CYBMUJFWSA-N	-1	0	288.303	0.974	20	30		CCEDRM
Cc1cc(S(=O)(=O)N(CC#N)CC(=O)[O-])ccc1F	ZINC000738474561	581345903	/nfs/dbraw/zinc/34/59/03/581345903.db2.gz	NESNFJUDESLQDH-UHFFFAOYSA-N	-1	0	286.284	0.733	20	30		CCEDRM
Cc1cnn(C)c1/C=C/C(=O)c1cnc([O-])n(C)c1=O	ZINC000794700843	581384177	/nfs/dbraw/zinc/38/41/77/581384177.db2.gz	JQWOLUGILZUARB-SNAWJCMRSA-N	-1	0	274.280	0.424	20	30		CCEDRM
CC[C@H](C)CO[N-]C(=O)[C@@H](C)n1cnc(C#N)n1	ZINC000794870476	581389946	/nfs/dbraw/zinc/38/99/46/581389946.db2.gz	MUAXSMGLAWPYRK-DTWKUNHWSA-N	-1	0	251.290	0.805	20	30		CCEDRM
C#C[C@H](NC(=O)c1n[nH]c(=O)[n-]c1=O)c1ccc(F)cc1	ZINC000794896825	581390464	/nfs/dbraw/zinc/39/04/64/581390464.db2.gz	UEVDWYDLJVAITA-VIFPVBQESA-N	-1	0	288.238	0.526	20	30		CCEDRM
C[C@@H](Oc1ccc(C=NN2C(=O)CNC2=O)cc1)C(=O)[O-]	ZINC000794921076	581391135	/nfs/dbraw/zinc/39/11/35/581391135.db2.gz	ABVHOPDDRVVBSL-MRVPVSSYSA-N	-1	0	291.263	0.424	20	30		CCEDRM
Cc1cc(C=Nn2c(=O)c(C)n[n-]c2=S)sn1	ZINC000785450124	581409850	/nfs/dbraw/zinc/40/98/50/581409850.db2.gz	WUVDGYDTQCJDBT-UHFFFAOYSA-N	-1	0	267.339	0.883	20	30		CCEDRM
N#C[C@]1(F)CCN(CCC[N-]C(=O)C(F)(F)F)C1	ZINC000786437510	581440788	/nfs/dbraw/zinc/44/07/88/581440788.db2.gz	RDODDTLKZFWEGK-SECBINFHSA-N	-1	0	267.226	0.993	20	30		CCEDRM
C=CCS(=O)(=O)[N-]C(=O)CCc1cnccn1	ZINC000796794033	581450945	/nfs/dbraw/zinc/45/09/45/581450945.db2.gz	WCUOTLWEIJRFAM-UHFFFAOYSA-N	-1	0	255.299	0.041	20	30		CCEDRM
N#CCCCS(=O)(=O)[N-]C(=O)C[C@@H]1CCCOC1	ZINC000796812005	581451201	/nfs/dbraw/zinc/45/12/01/581451201.db2.gz	LGAZKAYMSQWXNZ-JTQLQIEISA-N	-1	0	274.342	0.553	20	30		CCEDRM
CC[C@H](C)[C@H](OC)C(=O)[N-]S(=O)(=O)CCCC#N	ZINC000796813109	581451261	/nfs/dbraw/zinc/45/12/61/581451261.db2.gz	UFSSFZDVGOXRRO-UWVGGRQHSA-N	-1	0	276.358	0.797	20	30		CCEDRM
CC(C)N(C)S(=O)(=O)[N-]C(=O)c1ccc(C#N)o1	ZINC000796850111	581452148	/nfs/dbraw/zinc/45/21/48/581452148.db2.gz	XPEMJJHFIPJOFM-UHFFFAOYSA-N	-1	0	271.298	0.466	20	30		CCEDRM
COC[C@H](C)S(=O)(=O)[N-]C(=O)c1ccc(C#N)o1	ZINC000796881375	581453474	/nfs/dbraw/zinc/45/34/74/581453474.db2.gz	FSBYFNXSGXLJPV-ZETCQYMHSA-N	-1	0	272.282	0.246	20	30		CCEDRM
N#Cc1ccc(C(=O)[N-]S(=O)(=O)C[C@H]2CCOC2)o1	ZINC000796996831	581457157	/nfs/dbraw/zinc/45/71/57/581457157.db2.gz	QLDPAADHOUONDI-QMMMGPOBSA-N	-1	0	284.293	0.247	20	30		CCEDRM
C=CCC(C)(C)C(=O)[N-]S(=O)(=O)c1cc[nH]n1	ZINC000797142196	581460100	/nfs/dbraw/zinc/46/01/00/581460100.db2.gz	NZHULBQMTISDTL-UHFFFAOYSA-N	-1	0	257.315	0.817	20	30		CCEDRM
C=CCC(CC=C)C(=O)[N-]S(=O)(=O)[C@H](C)C(=O)OC	ZINC000797290916	581464006	/nfs/dbraw/zinc/46/40/06/581464006.db2.gz	ITBIYPKEOOSHKL-SECBINFHSA-N	-1	0	289.353	0.762	20	30		CCEDRM
N#Cc1cccc(OCC(=O)NCCSCC(=O)[O-])c1	ZINC000739133091	581509713	/nfs/dbraw/zinc/50/97/13/581509713.db2.gz	AEAKKILAIKMZJP-UHFFFAOYSA-N	-1	0	294.332	0.871	20	30		CCEDRM
CCCS(=O)(=O)[N-]C(=O)COc1ccccc1C#N	ZINC000739209820	581523566	/nfs/dbraw/zinc/52/35/66/581523566.db2.gz	ZLOKARFKZXGRRK-UHFFFAOYSA-N	-1	0	282.321	0.793	20	30		CCEDRM
C=CCCCC(=O)[N-]S(=O)(=O)c1ccnn1C	ZINC000765652330	581531372	/nfs/dbraw/zinc/53/13/72/581531372.db2.gz	UEQDBPDLBYXAMZ-UHFFFAOYSA-N	-1	0	257.315	0.581	20	30		CCEDRM
CCC[C@@H](NC(=O)[O-])C(=O)N1CCN(C2CC2)[C@@H](C#N)C1	ZINC000739314384	581535377	/nfs/dbraw/zinc/53/53/77/581535377.db2.gz	PLVGSDKUHJIUIE-NWDGAFQWSA-N	-1	0	294.355	0.621	20	30		CCEDRM
COc1ncc(C([O-])=C(C#N)C(=O)N2CCCC2)cn1	ZINC000734079397	581542621	/nfs/dbraw/zinc/54/26/21/581542621.db2.gz	OUFYTEMFRCWOGA-JTQLQIEISA-N	-1	0	274.280	0.430	20	30		CCEDRM
CCN(C[C@H](C)C#N)C(=O)CN(C)[C@@H](C)CNC(=O)[O-]	ZINC000739405607	581547450	/nfs/dbraw/zinc/54/74/50/581547450.db2.gz	XUXIOHVZUYTYQC-MNOVXSKESA-N	-1	0	284.360	0.582	20	30		CCEDRM
CCN(CCC#N)C(=O)CN(C)[C@@H](C)CNC(=O)[O-]	ZINC000739414693	581549275	/nfs/dbraw/zinc/54/92/75/581549275.db2.gz	JKIXKAXYVFSFET-JTQLQIEISA-N	-1	0	270.333	0.336	20	30		CCEDRM
CN(C(=O)[O-])[C@H]1CCCN(C(=O)C2(C#N)CCOCC2)C1	ZINC000739577308	581574666	/nfs/dbraw/zinc/57/46/66/581574666.db2.gz	WOSQTIXDTWMDJC-NSHDSACASA-N	-1	0	295.339	0.908	20	30		CCEDRM
CCCCS(=O)(=O)[N-]C(=O)c1ccc(C#N)nc1	ZINC000734703541	581582656	/nfs/dbraw/zinc/58/26/56/581582656.db2.gz	DURAHBKNBDGCAO-UHFFFAOYSA-N	-1	0	267.310	0.813	20	30		CCEDRM
CCCCCCCC(=O)[N-]S(=O)(=O)CC(N)=O	ZINC000766922384	581587314	/nfs/dbraw/zinc/58/73/14/581587314.db2.gz	MDDGXBNNIBKNBQ-UHFFFAOYSA-N	-1	0	264.347	0.278	20	30		CCEDRM
COC(=O)CN(CC#N)C(=O)C1CCC(NC(=O)[O-])CC1	ZINC000739761635	581612338	/nfs/dbraw/zinc/61/23/38/581612338.db2.gz	LZWJFBFLCXIUCW-UHFFFAOYSA-N	-1	0	297.311	0.338	20	30		CCEDRM
CN(CC(=O)[C@H](C#N)C(=O)Nc1ccccn1)C(=O)[O-]	ZINC000739617369	581616530	/nfs/dbraw/zinc/61/65/30/581616530.db2.gz	PMKDNAIHRAJMBM-QMMMGPOBSA-N	-1	0	276.252	0.339	20	30		CCEDRM
C=CCOCC(=O)[N-]S(=O)(=O)c1ccc(F)c(F)c1	ZINC000729887170	581618624	/nfs/dbraw/zinc/61/86/24/581618624.db2.gz	UHYWUDVMSIDPSL-UHFFFAOYSA-N	-1	0	291.275	0.972	20	30		CCEDRM
C#Cc1ccc(C(=O)NC2(c3nnn[n-]3)CCCC2)cn1	ZINC000735390146	581642255	/nfs/dbraw/zinc/64/22/55/581642255.db2.gz	PMMFPWRFPUJKTP-UHFFFAOYSA-N	-1	0	282.307	0.775	20	30		CCEDRM
CCCC[C@@H](ON=C(C)C)C(=O)NCc1nnn[n-]1	ZINC000768078345	581643886	/nfs/dbraw/zinc/64/38/86/581643886.db2.gz	RIYNTDRULFOQJE-SECBINFHSA-N	-1	0	268.321	0.787	20	30		CCEDRM
C=CCCC(=O)[N-]S(=O)(=O)CCOCCOC	ZINC000768212903	581647900	/nfs/dbraw/zinc/64/79/00/581647900.db2.gz	OQUKESCZGIKLIQ-UHFFFAOYSA-N	-1	0	265.331	0.062	20	30		CCEDRM
C#CCCS(=O)(=O)[N-]C(=O)[C@@H]1CCO[C@H](C)C1	ZINC000788072589	581657801	/nfs/dbraw/zinc/65/78/01/581657801.db2.gz	WKYZTYMCULOHKT-NXEZZACHSA-N	-1	0	259.327	0.271	20	30		CCEDRM
CCC1(C(=O)[N-]S(=O)(=O)c2cccc(C#N)c2)COC1	ZINC000756223766	581660057	/nfs/dbraw/zinc/66/00/57/581660057.db2.gz	GTDNJZWEFAGRKT-UHFFFAOYSA-N	-1	0	294.332	0.790	20	30		CCEDRM
N#C[C@@H](C(=O)NC1CCCC1)C(=O)[C@H]1CCN(C(=O)[O-])C1	ZINC000740303504	581661624	/nfs/dbraw/zinc/66/16/24/581661624.db2.gz	KCLZBNIBHLLTAI-GXSJLCMTSA-N	-1	0	293.323	0.754	20	30		CCEDRM
N#CCNC(=O)COC(=O)[C@H](NC(=O)[O-])c1ccccc1	ZINC000740304915	581662524	/nfs/dbraw/zinc/66/25/24/581662524.db2.gz	CNMPUOOCROLXLN-LLVKDONJSA-N	-1	0	291.263	0.178	20	30		CCEDRM
N#CCN1CCC[C@H](CNC(=O)[C@H]2CCCN2C(=O)[O-])C1	ZINC000740305226	581662564	/nfs/dbraw/zinc/66/25/64/581662564.db2.gz	IDYBLODQZGOTGQ-VXGBXAGGSA-N	-1	0	294.355	0.481	20	30		CCEDRM
N#CCCCCNC(=O)N1CC[C@H](NC(=O)[O-])C1	ZINC000740306667	581662952	/nfs/dbraw/zinc/66/29/52/581662952.db2.gz	IFCWBCRVESVCAW-VIFPVBQESA-N	-1	0	254.290	0.732	20	30		CCEDRM
N#C[C@@H]1CN(C(=O)NCCCNC(=O)[O-])CCN1C1CC1	ZINC000740308519	581663378	/nfs/dbraw/zinc/66/33/78/581663378.db2.gz	ZKQXYYSXLNHFMW-LLVKDONJSA-N	-1	0	295.343	0.026	20	30		CCEDRM
N#CCSCC(=O)N[C@H]1CCC[C@H]1CNC(=O)[O-]	ZINC000740310106	581663522	/nfs/dbraw/zinc/66/35/22/581663522.db2.gz	FQILATVCYGPCPN-IUCAKERBSA-N	-1	0	271.342	0.796	20	30		CCEDRM
N#C[C@@H]1CN(C(=O)NC[C@@H]2CCCCN2C(=O)[O-])CCO1	ZINC000740307430	581663529	/nfs/dbraw/zinc/66/35/29/581663529.db2.gz	RCKMDSHPNRFPJY-WDEREUQCSA-N	-1	0	296.327	0.453	20	30		CCEDRM
N#C[C@@H]1CN(C(=O)[C@H]2CCCN2C(=O)[O-])CCN1C1CC1	ZINC000740309119	581663563	/nfs/dbraw/zinc/66/35/63/581663563.db2.gz	DMFYEUCSAICEPE-VXGBXAGGSA-N	-1	0	292.339	0.328	20	30		CCEDRM
N#CCSCC(=O)N[C@@H]1CCC[C@H]1CNC(=O)[O-]	ZINC000740310105	581664004	/nfs/dbraw/zinc/66/40/04/581664004.db2.gz	FQILATVCYGPCPN-DTWKUNHWSA-N	-1	0	271.342	0.796	20	30		CCEDRM
N#CC1(C(=O)N[C@H]2CCN(C(=O)[O-])C2)CCCC1	ZINC000740309695	581664064	/nfs/dbraw/zinc/66/40/64/581664064.db2.gz	MBEWULPKIFAVAK-VIFPVBQESA-N	-1	0	251.286	0.939	20	30		CCEDRM
N#CC1(NC(=O)C2=NN(c3ccccc3)[C@@H](C(=O)[O-])C2)CC1	ZINC000740310781	581664070	/nfs/dbraw/zinc/66/40/70/581664070.db2.gz	XKCXJLIWACAXSL-GFCCVEGCSA-N	-1	0	298.302	0.878	20	30		CCEDRM
N#Cc1ccc(C(=O)N[C@@H](CNC(=O)[O-])C2CC2)nc1	ZINC000740313464	581664729	/nfs/dbraw/zinc/66/47/29/581664729.db2.gz	MVRHYBYRZYHOIF-NSHDSACASA-N	-1	0	274.280	0.729	20	30		CCEDRM
C=C(C)[C@H](CC(=O)[N-]S(=O)(=O)[C@H](C)COC)OCC	ZINC000756563737	581671945	/nfs/dbraw/zinc/67/19/45/581671945.db2.gz	QMSOHNGRLFTACE-MNOVXSKESA-N	-1	0	293.385	0.839	20	30		CCEDRM
C#CCNC(=O)[C@@H](C)SCc1noc(CCC(=O)[O-])n1	ZINC000736078644	581686221	/nfs/dbraw/zinc/68/62/21/581686221.db2.gz	CVWDCENVQKSCMY-MRVPVSSYSA-N	-1	0	297.336	0.458	20	30		CCEDRM
C#CCCNC(=O)Nc1nnc(CCC(=O)[O-])s1	ZINC000736076225	581694611	/nfs/dbraw/zinc/69/46/11/581694611.db2.gz	CJBDTJJATNWMOV-UHFFFAOYSA-N	-1	0	268.298	0.700	20	30		CCEDRM
CC(C)[C@](C)(C#N)NC(=O)[C@@H](C)N1CC[C@H](NC(=O)[O-])C1	ZINC000738620682	581701062	/nfs/dbraw/zinc/70/10/62/581701062.db2.gz	WFGPWWRGCPJSMF-SUNKGSAMSA-N	-1	0	296.371	0.771	20	30		CCEDRM
C#Cc1ccc(C(=O)Nc2cnn(CC(=O)[O-])c2)cn1	ZINC000736092126	581701451	/nfs/dbraw/zinc/70/14/51/581701451.db2.gz	CIBAAGFSPSXNRN-UHFFFAOYSA-N	-1	0	270.248	0.596	20	30		CCEDRM
C#CC[C@@H](NC(=O)c1cnc([O-])n(C)c1=O)c1ccccc1	ZINC000757615808	581704064	/nfs/dbraw/zinc/70/40/64/581704064.db2.gz	YEBGHHPWKODQOK-CYBMUJFWSA-N	-1	0	297.314	0.980	20	30		CCEDRM
COC(=O)c1coc(Cn2ccc(C=NO)nc2=O)c1	ZINC000736306057	581733028	/nfs/dbraw/zinc/73/30/28/581733028.db2.gz	AJNRBOQXUUKYNJ-UHFFFAOYSA-N	-1	0	277.236	0.479	20	30		CCEDRM
Cn1cc(CCC(=O)C(C#N)=C([O-])c2nccn2C)cn1	ZINC000770729782	581764935	/nfs/dbraw/zinc/76/49/35/581764935.db2.gz	FUZKCFFXZJHSCD-NSHDSACASA-N	-1	0	285.307	0.678	20	30		CCEDRM
Cc1nonc1CNS(=O)(=O)c1ccc(C#N)cc1F	ZINC000742325121	581779178	/nfs/dbraw/zinc/77/91/78/581779178.db2.gz	JSOXTEUDHRUYDJ-UHFFFAOYSA-N	-1	0	296.283	0.867	20	30		CCEDRM
Cc1c(C(=O)[O-])oc2c1C(=NOCC(N)=O)CCC2	ZINC000771572145	581782831	/nfs/dbraw/zinc/78/28/31/581782831.db2.gz	PRLFMPMMGJTLBT-UHFFFAOYSA-N	-1	0	266.253	0.829	20	30		CCEDRM
Cc1cc(C(=O)[N-]S(=O)(=O)CC2(C#N)CCC2)n(C)n1	ZINC000771076955	581789710	/nfs/dbraw/zinc/78/97/10/581789710.db2.gz	AWCJROGYLDXOAS-UHFFFAOYSA-N	-1	0	296.352	0.482	20	30		CCEDRM
N#CC1(CS(=O)(=O)[N-]C(=O)[C@@H]2CCCOC2)CCC1	ZINC000771077768	581790375	/nfs/dbraw/zinc/79/03/75/581790375.db2.gz	LLDHANUWWPIJHZ-SNVBAGLBSA-N	-1	0	286.353	0.553	20	30		CCEDRM
CCO[C@@H](CC)C(=O)[N-]S(=O)(=O)CC1(C#N)CCC1	ZINC000771077913	581790438	/nfs/dbraw/zinc/79/04/38/581790438.db2.gz	GWRGNRUWPDIXNZ-JTQLQIEISA-N	-1	0	288.369	0.941	20	30		CCEDRM
CCc1nn(CC#N)c(=O)c(-c2nnn[n-]2)c1CC	ZINC000736706141	581822604	/nfs/dbraw/zinc/82/26/04/581822604.db2.gz	UNKONTXWIAFGAW-UHFFFAOYSA-N	-1	0	259.273	0.072	20	30		CCEDRM
C#CCCCC(=O)[N-]S(=O)(=O)c1ccc(OC)nc1	ZINC000759832008	581826118	/nfs/dbraw/zinc/82/61/18/581826118.db2.gz	NJXBYVJVKHJILF-UHFFFAOYSA-N	-1	0	282.321	0.699	20	30		CCEDRM
C=CCOCC(=O)[N-]S(=O)(=O)CCOc1ccccc1	ZINC000744294710	581837439	/nfs/dbraw/zinc/83/74/39/581837439.db2.gz	ASKOXJGJBJFIKO-UHFFFAOYSA-N	-1	0	299.348	0.714	20	30		CCEDRM
CC(C)NC(=O)C(C#N)=C([O-])c1cnc2nccnc2c1	ZINC000760181841	581848138	/nfs/dbraw/zinc/84/81/38/581848138.db2.gz	BJIYVESJRCXYRI-SNVBAGLBSA-N	-1	0	283.291	0.872	20	30		CCEDRM
CC[C@@](NCC(=O)NCCC#N)(C(=O)[O-])c1ccccc1	ZINC000736916394	581868209	/nfs/dbraw/zinc/86/82/09/581868209.db2.gz	HPBDBPJZAITFGV-HNNXBMFYSA-N	-1	0	289.335	0.996	20	30		CCEDRM
C=CCS(=O)(=O)[N-]C(=O)c1cnc2cc(C)nn2c1C	ZINC000772715382	581885589	/nfs/dbraw/zinc/88/55/89/581885589.db2.gz	KSWNBBBAPSUBHB-UHFFFAOYSA-N	-1	0	294.336	0.592	20	30		CCEDRM
C=CCS(=O)(=O)[N-]C(=O)CCOC[C@H]1CCCO1	ZINC000772720898	581886546	/nfs/dbraw/zinc/88/65/46/581886546.db2.gz	ZDKACUNSISFCGE-SNVBAGLBSA-N	-1	0	277.342	0.204	20	30		CCEDRM
CS(=O)(=O)[N-]C(=O)Cc1ccccc1CC#N	ZINC000761100449	581888569	/nfs/dbraw/zinc/88/85/69/581888569.db2.gz	HDCREXCFCQSCOT-UHFFFAOYSA-N	-1	0	252.295	0.371	20	30		CCEDRM
Cc1cc(=O)[n-]c(N=NC2CCS(=O)CC2)n1	ZINC000761792492	581920893	/nfs/dbraw/zinc/92/08/93/581920893.db2.gz	LEXDSQKBTKMMHW-UHFFFAOYSA-N	-1	0	254.315	0.801	20	30		CCEDRM
C=CCN(CC(=O)[O-])C(=O)CCOC1CCOCC1	ZINC000762049339	581929692	/nfs/dbraw/zinc/92/96/92/581929692.db2.gz	BCIMHCGOEACSBY-UHFFFAOYSA-N	-1	0	271.313	0.671	20	30		CCEDRM
C#CCCCCC(=O)[N-]S(=O)(=O)C[C@@H]1CCOC1	ZINC000773856923	581944297	/nfs/dbraw/zinc/94/42/97/581944297.db2.gz	PVYGGZDXBYZOFK-LLVKDONJSA-N	-1	0	273.354	0.663	20	30		CCEDRM
CN(C)c1ccc(C(=O)N(CC#N)CC(=O)[O-])cn1	ZINC000737374805	581949722	/nfs/dbraw/zinc/94/97/22/581949722.db2.gz	UFCKQKPECNDLRY-UHFFFAOYSA-N	-1	0	262.269	0.198	20	30		CCEDRM
CCOc1nc(C([O-])=C(C#N)C(=O)NC(C)C)co1	ZINC000773978996	581950962	/nfs/dbraw/zinc/95/09/62/581950962.db2.gz	XAISHMPYCMJEQG-MRVPVSSYSA-N	-1	0	265.269	0.920	20	30		CCEDRM
COCCNC(=O)C(C#N)=C([O-])c1ccc(C(C)=O)o1	ZINC000774042994	581954636	/nfs/dbraw/zinc/95/46/36/581954636.db2.gz	LUAWTCPWKGSQMZ-SECBINFHSA-N	-1	0	278.264	0.567	20	30		CCEDRM
Cn1nccc1CC(=O)[N-]S(=O)(=O)CC1(C#N)CCC1	ZINC000774210428	581965329	/nfs/dbraw/zinc/96/53/29/581965329.db2.gz	SPEKPVHWQQFGCI-UHFFFAOYSA-N	-1	0	296.352	0.102	20	30		CCEDRM
CCOc1cccc(C=Nn2c(=O)c(C)n[n-]c2=S)n1	ZINC000763125321	581986870	/nfs/dbraw/zinc/98/68/70/581986870.db2.gz	QHPKROGABKDHDD-UHFFFAOYSA-N	-1	0	291.336	0.911	20	30		CCEDRM
O=C([O-])c1ccc(N=NC2CCCS(=O)(=O)C2)nc1	ZINC000763370261	581996665	/nfs/dbraw/zinc/99/66/65/581996665.db2.gz	PPPPMQRXZIJABC-UHFFFAOYSA-N	-1	0	283.309	0.756	20	30		CCEDRM
Cc1cn2ccnc(C([O-])=C(C#N)C(=O)NC3CC3)c2n1	ZINC000763931624	582020992	/nfs/dbraw/zinc/02/09/92/582020992.db2.gz	QHQNWQVMZDDIHF-JTQLQIEISA-N	-1	0	283.291	0.639	20	30		CCEDRM
N#C[C@@H]1CN(C(=O)NCCCC(=O)[O-])CCN1C1CC1	ZINC000738422952	582047770	/nfs/dbraw/zinc/04/77/70/582047770.db2.gz	OAFHZSUXXHXWPA-LLVKDONJSA-N	-1	0	280.328	0.233	20	30		CCEDRM
CC[C@@H]1CC[C@H](C(=O)[N-]S(=O)(=O)CCCC#N)O1	ZINC000776122982	582052722	/nfs/dbraw/zinc/05/27/22/582052722.db2.gz	VXGCDXFOVIHFOA-NXEZZACHSA-N	-1	0	274.342	0.694	20	30		CCEDRM
C#CCNC(=O)[C@H](C)OC(=O)CCC(C)(C)NC(=O)[O-]	ZINC000738460340	582053246	/nfs/dbraw/zinc/05/32/46/582053246.db2.gz	JNVQDQNRMVMHTK-VIFPVBQESA-N	-1	0	284.312	0.494	20	30		CCEDRM
CC(C)(C#N)CS(=O)(=O)[N-]C(=O)Cc1cccnc1	ZINC000776137114	582053395	/nfs/dbraw/zinc/05/33/95/582053395.db2.gz	QTJGJAKWLHBQLR-UHFFFAOYSA-N	-1	0	281.337	0.620	20	30		CCEDRM
CC(C)(C#N)CS(=O)(=O)[N-]C(=O)C1CC=CC1	ZINC000776138223	582053408	/nfs/dbraw/zinc/05/34/08/582053408.db2.gz	GKFQCSIZFBYYRV-UHFFFAOYSA-N	-1	0	256.327	0.948	20	30		CCEDRM
CCc1nn(C)cc1C(=O)[N-]S(=O)(=O)CC(C)(C)C#N	ZINC000776140704	582054011	/nfs/dbraw/zinc/05/40/11/582054011.db2.gz	HRLLZDRAVHYSTP-UHFFFAOYSA-N	-1	0	298.368	0.592	20	30		CCEDRM
C#Cc1ccc(C(=O)N[C@H]2CCN(C(=O)[O-])C2)cn1	ZINC000738467664	582054343	/nfs/dbraw/zinc/05/43/43/582054343.db2.gz	OZCDYPDTIBTMPG-NSHDSACASA-N	-1	0	259.265	0.545	20	30		CCEDRM
C=CCNC(=O)COC(=O)[C@H]1CCCCN1C(=O)[O-]	ZINC000738495179	582056066	/nfs/dbraw/zinc/05/60/66/582056066.db2.gz	JEFRVDOMXNNMIB-SECBINFHSA-N	-1	0	270.285	0.364	20	30		CCEDRM
C=CCn1nnn(CN2CCN(C(=O)[O-])C[C@@H]2C)c1=S	ZINC000738502325	582056419	/nfs/dbraw/zinc/05/64/19/582056419.db2.gz	AXLQJTBSOBOMSA-VIFPVBQESA-N	-1	0	298.372	0.637	20	30		CCEDRM
C=CCNC(=O)[C@H](C)OC(=O)CC(C)(C)NC(=O)[O-]	ZINC000738496507	582056614	/nfs/dbraw/zinc/05/66/14/582056614.db2.gz	ZQEKJNDDKWIELI-QMMMGPOBSA-N	-1	0	272.301	0.657	20	30		CCEDRM
C[C@@H](Oc1cccc(C=NNS(C)(=O)=O)c1)C(=O)[O-]	ZINC000764708122	582063854	/nfs/dbraw/zinc/06/38/54/582063854.db2.gz	PQYNJKJDCWJMFN-MRVPVSSYSA-N	-1	0	286.309	0.422	20	30		CCEDRM
C[C@H](C#N)CN(C)C(=O)N[C@@H]1CCN(C(=O)[O-])C1	ZINC000738597267	582064821	/nfs/dbraw/zinc/06/48/21/582064821.db2.gz	QDCPTTJBFSGGPJ-RKDXNWHRSA-N	-1	0	254.290	0.540	20	30		CCEDRM
C[C@H](C(=O)N(C)CCC#N)N1CCCN(C(=O)[O-])CC1	ZINC000738603046	582064914	/nfs/dbraw/zinc/06/49/14/582064914.db2.gz	ORMCWSZJRWJIPN-LLVKDONJSA-N	-1	0	282.344	0.433	20	30		CCEDRM
C[C@H](C(=O)N(C)CCC#N)N1CCN(C(=O)[O-])[C@@H](C)C1	ZINC000738605981	582065553	/nfs/dbraw/zinc/06/55/53/582065553.db2.gz	ZBYNIVRLTDSXFV-WDEREUQCSA-N	-1	0	282.344	0.431	20	30		CCEDRM
C[C@@H](C(=O)N(C)CCC#N)N1CCC[C@@H](N(C)C(=O)[O-])C1	ZINC000738605449	582065580	/nfs/dbraw/zinc/06/55/80/582065580.db2.gz	VSEIGVPFSFKZOU-NWDGAFQWSA-N	-1	0	296.371	0.821	20	30		CCEDRM
CC(C)(CC(=O)[C@@H](C#N)C(=O)N1CCCC1)NC(=O)[O-]	ZINC000738728956	582072352	/nfs/dbraw/zinc/07/23/52/582072352.db2.gz	FUMZTBOQVDIUST-SECBINFHSA-N	-1	0	281.312	0.754	20	30		CCEDRM
C[C@H]1C[C@@H](C(=O)[N-]S(=O)(=O)CCCC#N)CCO1	ZINC000776560869	582077774	/nfs/dbraw/zinc/07/77/74/582077774.db2.gz	UCLZGMDEKLHWRC-UWVGGRQHSA-N	-1	0	274.342	0.551	20	30		CCEDRM
C=CCC[C@H](NS(=O)(=O)CCCC#N)C(=O)[O-]	ZINC000776597378	582083475	/nfs/dbraw/zinc/08/34/75/582083475.db2.gz	PFGDRWLOPBSLDE-VIFPVBQESA-N	-1	0	260.315	0.629	20	30		CCEDRM
C=CCC[C@@H](NS(=O)(=O)CC1(C#N)CC1)C(=O)[O-]	ZINC000776595974	582084055	/nfs/dbraw/zinc/08/40/55/582084055.db2.gz	BOHASHLHUUMXPV-SECBINFHSA-N	-1	0	272.326	0.629	20	30		CCEDRM
C=CCC[C@H](NS(=O)(=O)c1ccc(N)cc1)C(=O)[O-]	ZINC000776597915	582084226	/nfs/dbraw/zinc/08/42/26/582084226.db2.gz	VBYGXZLSDBDLFQ-NSHDSACASA-N	-1	0	284.337	0.967	20	30		CCEDRM
N#CCN(CC(=O)[O-])C(=O)[C@H]1CC(c2ccccc2)=NO1	ZINC000739077892	582101423	/nfs/dbraw/zinc/10/14/23/582101423.db2.gz	WEBVMOGQCSMXQK-GFCCVEGCSA-N	-1	0	287.275	0.616	20	30		CCEDRM
N#CCN(CC(=O)[O-])C(=O)COc1ccc(C=O)cc1	ZINC000739078516	582101617	/nfs/dbraw/zinc/10/16/17/582101617.db2.gz	IKNGNVZOFJJBIC-UHFFFAOYSA-N	-1	0	276.248	0.315	20	30		CCEDRM
N#CCN(CC(=O)[O-])C(=O)c1ccnc(N2CCCC2)n1	ZINC000739087566	582102129	/nfs/dbraw/zinc/10/21/29/582102129.db2.gz	OJXNHSPMDSBRAD-UHFFFAOYSA-N	-1	0	289.295	0.127	20	30		CCEDRM
N#CCN(CC(=O)[O-])C(=O)c1ccc(-n2cccn2)cc1	ZINC000739088145	582102181	/nfs/dbraw/zinc/10/21/81/582102181.db2.gz	RUKLCMIVMOHRHS-UHFFFAOYSA-N	-1	0	284.275	0.923	20	30		CCEDRM
O=C([O-])Cn1cc(C=NNc2cccc([N+](=O)[O-])c2)nn1	ZINC000768475905	582107198	/nfs/dbraw/zinc/10/71/98/582107198.db2.gz	FAMJIDSFDWWGRA-UHFFFAOYSA-N	-1	0	290.239	0.717	20	30		CCEDRM
O=C([O-])Cn1cc(CN=Nc2ccc(Cl)nn2)nn1	ZINC000768477046	582107248	/nfs/dbraw/zinc/10/72/48/582107248.db2.gz	TZOCGOBQYXRJJC-UHFFFAOYSA-N	-1	0	281.663	0.252	20	30		CCEDRM
C#CCOCCC(=O)O[C@@H](C)c1cn(CC(=O)[O-])nn1	ZINC000833364667	612981587	/nfs/dbraw/zinc/98/15/87/612981587.db2.gz	WJJWODKULHEJGV-VIFPVBQESA-N	-1	0	281.268	0.007	20	30		CCEDRM
CC[C@@H](C#N)NS(=O)(=O)c1ccc(C(=O)[O-])o1	ZINC000833636663	615366531	/nfs/dbraw/zinc/36/65/31/615366531.db2.gz	ZAAGHEHYDAFTLG-LURJTMIESA-N	-1	0	258.255	0.558	20	30		CCEDRM
C#CCOCCNC(=O)C(=O)Nc1cc(C(=O)[O-])cs1	ZINC000833366038	612985360	/nfs/dbraw/zinc/98/53/60/612985360.db2.gz	CHLRLFDULSFRCW-UHFFFAOYSA-N	-1	0	296.304	0.151	20	30		CCEDRM
N#Cc1c(F)cccc1S(=O)(=O)N1CCC[C@H]1C(=O)[O-]	ZINC000070393929	597373854	/nfs/dbraw/zinc/37/38/54/597373854.db2.gz	GOFZYZMQLVFTRB-JTQLQIEISA-N	-1	0	298.295	0.935	20	30		CCEDRM
COc1ccc(C#N)cc1NC(=O)C(=O)N[C@H](C)C(=O)[O-]	ZINC000818576598	597519201	/nfs/dbraw/zinc/51/92/01/597519201.db2.gz	OLUJDEJKTWLZPA-SSDOTTSWSA-N	-1	0	291.263	0.095	20	30		CCEDRM
N#Cc1cccc(NC(=O)C(=O)N2CC[C@@H](C(=O)[O-])C2)c1	ZINC000819106197	597521818	/nfs/dbraw/zinc/52/18/18/597521818.db2.gz	DKFMZWLNCQTXKV-SNVBAGLBSA-N	-1	0	287.275	0.430	20	30		CCEDRM
Cc1c(CNC(=O)[C@](C)(C#N)CC(=O)[O-])cnn1C	ZINC000820945372	597604933	/nfs/dbraw/zinc/60/49/33/597604933.db2.gz	WQNOCNFASWBMFM-LBPRGKRZSA-N	-1	0	264.285	0.349	20	30		CCEDRM
Cc1nccn1CCNC(=O)[C@](C)(C#N)CC(=O)[O-]	ZINC000821197004	597641783	/nfs/dbraw/zinc/64/17/83/597641783.db2.gz	UNCSHKWAUCKMAY-LBPRGKRZSA-N	-1	0	264.285	0.312	20	30		CCEDRM
C[C@@](C#N)(CC(=O)[O-])C(=O)N1CCC[C@H](CCC(N)=O)C1	ZINC000819810970	597642610	/nfs/dbraw/zinc/64/26/10/597642610.db2.gz	JDTDYHOTRNQEPK-YGRLFVJLSA-N	-1	0	295.339	0.495	20	30		CCEDRM
C[C@@](C#N)(CC(=O)[O-])C(=O)N1CCC[C@H]1Cn1cccn1	ZINC000819811521	597643850	/nfs/dbraw/zinc/64/38/50/597643850.db2.gz	QFNLHQYFTSZVJB-FZMZJTMJSA-N	-1	0	290.323	0.879	20	30		CCEDRM
C[C@@](C#N)(CC(=O)[O-])C(=O)NCC1(C(N)=O)CCCC1	ZINC000819835544	597646993	/nfs/dbraw/zinc/64/69/93/597646993.db2.gz	WJAUJEVSCSJABG-LBPRGKRZSA-N	-1	0	281.312	0.153	20	30		CCEDRM
Cc1cccc(NCCNC(=O)[C@@](C)(C#N)CC(=O)[O-])n1	ZINC000821116785	597649053	/nfs/dbraw/zinc/64/90/53/597649053.db2.gz	QIOGLDWWOUCATL-CQSZACIVSA-N	-1	0	290.323	0.923	20	30		CCEDRM
C[C@@](C#N)(CC(=O)[O-])C(=O)N1CC(OCC(F)F)C1	ZINC000819811371	597652814	/nfs/dbraw/zinc/65/28/14/597652814.db2.gz	NLGNUJHFSPBTIW-NSHDSACASA-N	-1	0	276.239	0.483	20	30		CCEDRM
C[C@](C#N)(CC(=O)[O-])C(=O)N1CCc2c[nH]nc2C1	ZINC000819822828	597657950	/nfs/dbraw/zinc/65/79/50/597657950.db2.gz	QBWNAGQPBQWCGQ-GFCCVEGCSA-N	-1	0	262.269	0.299	20	30		CCEDRM
C[C@@](C#N)(CC(=O)[O-])C(=O)N[C@H]1CC[C@@H](CO)CC1	ZINC000819848471	597658808	/nfs/dbraw/zinc/65/88/08/597658808.db2.gz	SRDKZGPJTKTUSC-CWSCBRNRSA-N	-1	0	268.313	0.658	20	30		CCEDRM
C[C@](C#N)(CC(=O)[O-])C(=O)NCc1cccc(=O)[nH]1	ZINC000819841730	597671050	/nfs/dbraw/zinc/67/10/50/597671050.db2.gz	CLHBUHIQHSAUPU-GFCCVEGCSA-N	-1	0	263.253	0.408	20	30		CCEDRM
N#Cc1ccnc(SCC(=O)NCC(=O)[O-])c1	ZINC000821340631	597753522	/nfs/dbraw/zinc/75/35/22/597753522.db2.gz	RZCWQQJJCLTPGX-UHFFFAOYSA-N	-1	0	251.267	0.246	20	30		CCEDRM
C#CCOCCNS(=O)(=O)c1cc([O-])cc(F)c1	ZINC000867094475	612989563	/nfs/dbraw/zinc/98/95/63/612989563.db2.gz	OHEIDWOAAYWDDO-UHFFFAOYSA-N	-1	0	273.285	0.459	20	30		CCEDRM
C#CCOCC[N-]S(=O)(=O)N=[S@@](C)(=O)C(C)(C)C	ZINC000872471046	612989591	/nfs/dbraw/zinc/98/95/91/612989591.db2.gz	MKXVLAXWZPOOBT-KRWDZBQOSA-N	-1	0	296.414	0.367	20	30		CCEDRM
N#Cc1cccc(CN2CCO[C@@H](C(=O)[O-])C2)c1F	ZINC000222389989	598172229	/nfs/dbraw/zinc/17/22/29/598172229.db2.gz	XWBQOFCAYKILDC-LLVKDONJSA-N	-1	0	264.256	0.983	20	30		CCEDRM
Cc1onc(CC(=O)N2CCC(C(=O)[O-])CC2)c1C#N	ZINC000821257415	598220387	/nfs/dbraw/zinc/22/03/87/598220387.db2.gz	NUZYNHSDZMYTKE-UHFFFAOYSA-N	-1	0	277.280	0.720	20	30		CCEDRM
Cc1onc(CC(=O)N2CC[C@@H](C(=O)[O-])C2)c1C#N	ZINC000821257473	598220564	/nfs/dbraw/zinc/22/05/64/598220564.db2.gz	PHLUPHSHOKXTPT-MRVPVSSYSA-N	-1	0	263.253	0.330	20	30		CCEDRM
C[C@@](C#N)(CC(=O)[O-])C(=O)Nc1cccc(C(N)=O)c1	ZINC000819855353	598222339	/nfs/dbraw/zinc/22/23/39/598222339.db2.gz	BDTAUHFKSMWDQO-ZDUSSCGKSA-N	-1	0	275.264	0.729	20	30		CCEDRM
Cc1noc([C@@H](C)NC(=O)[C@](C)(C#N)CC(=O)[O-])n1	ZINC000821224741	598225976	/nfs/dbraw/zinc/22/59/76/598225976.db2.gz	JWANDKWBIKARLM-KBUNVGBDSA-N	-1	0	266.257	0.560	20	30		CCEDRM
C[C@](C#N)(CC(=O)[O-])C(=O)N1CCS[C@@H]2COCC[C@H]21	ZINC000819823709	598230552	/nfs/dbraw/zinc/23/05/52/598230552.db2.gz	VTFIZDZPGKFDMW-GIPNMCIBSA-N	-1	0	298.364	0.724	20	30		CCEDRM
C#CCO[C@H](C)C(=O)N[C@H](C[C@@H]1CCCOC1)C(=O)[O-]	ZINC000910239448	613003280	/nfs/dbraw/zinc/00/32/80/613003280.db2.gz	DMSAPILSLMSTAY-GRYCIOLGSA-N	-1	0	283.324	0.411	20	30		CCEDRM
C=CCNC(=O)NC(=O)CS[C@@H](C)CC(=O)[O-]	ZINC000090098044	600589285	/nfs/dbraw/zinc/58/92/85/600589285.db2.gz	CHWJMIHPJCBHFJ-ZETCQYMHSA-N	-1	0	260.315	0.595	20	30		CCEDRM
N#CCOc1ccc(Cn2cc(C(=O)[O-])nn2)cc1	ZINC000833068221	600802868	/nfs/dbraw/zinc/80/28/68/600802868.db2.gz	STWKLZXSQZVPDE-UHFFFAOYSA-N	-1	0	258.237	0.927	20	30		CCEDRM
N#CCN(CC(=O)[O-])Cc1nnc(-c2ccco2)o1	ZINC000833066597	601004934	/nfs/dbraw/zinc/00/49/34/601004934.db2.gz	BYFFIMALOVXCOY-UHFFFAOYSA-N	-1	0	262.225	0.740	20	30		CCEDRM
C#CCSCC(=O)[N-]S(=O)(=O)c1cnn(CC)c1	ZINC000892817068	613013236	/nfs/dbraw/zinc/01/32/36/613013236.db2.gz	DDTKDVCXLIGUSJ-UHFFFAOYSA-N	-1	0	287.366	0.074	20	30		CCEDRM
C[C@@H](CC(=O)[O-])N1CCN(C(=O)CSCC#N)CC1	ZINC000827361684	601106671	/nfs/dbraw/zinc/10/66/71/601106671.db2.gz	DEVCBQSNQLMXBG-JTQLQIEISA-N	-1	0	285.369	0.251	20	30		CCEDRM
CS(=O)(=O)NN=C1CC(C(=O)[O-])(c2ccccc2)C1	ZINC000814873045	617176658	/nfs/dbraw/zinc/17/66/58/617176658.db2.gz	JZLFQQMRZYVYNY-UHFFFAOYSA-N	-1	0	282.321	0.708	20	30		CCEDRM
N#CCNC(=O)COC(=O)[C@@H]1CCC[C@H](C(=O)[O-])C1	ZINC000833066672	601185965	/nfs/dbraw/zinc/18/59/65/601185965.db2.gz	FXDIVJGRNFEKQB-DTWKUNHWSA-N	-1	0	268.269	0.060	20	30		CCEDRM
C[C@H]1C[C@H](C)CN(C(=O)CN(CC#N)CC(=O)[O-])C1	ZINC000828161514	601226649	/nfs/dbraw/zinc/22/66/49/601226649.db2.gz	NNSVIFKSHLWDAV-QWRGUYRKSA-N	-1	0	267.329	0.401	20	30		CCEDRM
O=C([O-])[C@@H]1CN(C(=O)C#Cc2ccccc2)CCO1	ZINC000043700644	601281209	/nfs/dbraw/zinc/28/12/09/601281209.db2.gz	HEHOVIAYUIRFNS-LBPRGKRZSA-N	-1	0	259.261	0.350	20	30		CCEDRM
Cn1cc(C#N)cc1C(=O)NCCSCC(=O)[O-]	ZINC000833040612	601284782	/nfs/dbraw/zinc/28/47/82/601284782.db2.gz	NFFALCIBXLBZLS-UHFFFAOYSA-N	-1	0	267.310	0.444	20	30		CCEDRM
N#Cc1cccc([C@@H](OC(=O)C2(C(N)=O)CC2)C(=O)[O-])c1	ZINC000833074550	601353118	/nfs/dbraw/zinc/35/31/18/601353118.db2.gz	AIAXEMJVGLPQQV-SNVBAGLBSA-N	-1	0	288.259	0.493	20	30		CCEDRM
C#CCNC(=O)[C@@H](C)OC(=O)C1CCC(C(=O)[O-])CC1	ZINC000833365866	612948313	/nfs/dbraw/zinc/94/83/13/612948313.db2.gz	VHGXYZYOGUKHMM-KPPDAEKUSA-N	-1	0	281.308	0.559	20	30		CCEDRM
N#Cc1c[nH]c(C(=O)N(CC(=O)[O-])C2CCOCC2)c1	ZINC000833068430	601452940	/nfs/dbraw/zinc/45/29/40/601452940.db2.gz	XDXNALDNEYGMNK-UHFFFAOYSA-N	-1	0	277.280	0.592	20	30		CCEDRM
N#Cc1ccc(C(=O)N2CC[C@@](F)(C(=O)[O-])C2)nc1	ZINC000833070662	601657134	/nfs/dbraw/zinc/65/71/34/601657134.db2.gz	QAJQGZGRIJPZGC-LBPRGKRZSA-N	-1	0	263.228	0.592	20	30		CCEDRM
C[C@H](CS(=O)(=O)N1CCC(C#N)CC1)C(=O)[O-]	ZINC000827541353	601783382	/nfs/dbraw/zinc/78/33/82/601783382.db2.gz	MJXOBJJFJDGUFP-MRVPVSSYSA-N	-1	0	260.315	0.272	20	30		CCEDRM
CC1CC(C#N)(C(=O)Nc2n[nH]c(CC(=O)[O-])n2)C1	ZINC000828156114	602036802	/nfs/dbraw/zinc/03/68/02/602036802.db2.gz	DCLIWEFTMYCNMK-UHFFFAOYSA-N	-1	0	263.257	0.310	20	30		CCEDRM
C[C@H](CC(=O)[O-])C(=O)NCCNc1ncccc1C#N	ZINC000827289836	602121777	/nfs/dbraw/zinc/12/17/77/602121777.db2.gz	BJSJWRCICZKPAX-SECBINFHSA-N	-1	0	276.296	0.592	20	30		CCEDRM
N#CCNS(=O)(=O)c1ccc(F)c(C(=O)[O-])c1	ZINC000013252289	602153399	/nfs/dbraw/zinc/15/33/99/602153399.db2.gz	MQLZEOINRQSDTM-UHFFFAOYSA-N	-1	0	258.230	0.326	20	30		CCEDRM
COc1ccsc1S(=O)(=O)N(CC#N)CC(=O)[O-]	ZINC000832637538	602157102	/nfs/dbraw/zinc/15/71/02/602157102.db2.gz	TWCXCSVVDDSIET-UHFFFAOYSA-N	-1	0	290.322	0.356	20	30		CCEDRM
N#Cc1cc(CN2C[C@H](O)C[C@H]2C(=O)[O-])ccc1F	ZINC000300454200	602236258	/nfs/dbraw/zinc/23/62/58/602236258.db2.gz	MAUAJMXELJPIPW-PWSUYJOCSA-N	-1	0	264.256	0.717	20	30		CCEDRM
C#CCCCCNC(=O)N1CCO[C@@H](C(=O)[O-])C1	ZINC000229758246	602264598	/nfs/dbraw/zinc/26/45/98/602264598.db2.gz	OPBWXOBRAJANAF-SNVBAGLBSA-N	-1	0	254.286	0.285	20	30		CCEDRM
N#Cc1cccc(SCC(=O)NCC(=O)[O-])c1	ZINC000821340535	602289794	/nfs/dbraw/zinc/28/97/94/602289794.db2.gz	LQXYPBDUNXPIJN-UHFFFAOYSA-N	-1	0	250.279	0.851	20	30		CCEDRM
C#CCSCCNC(=O)c1cc(C(=O)[O-])nn1C	ZINC000911422981	613017858	/nfs/dbraw/zinc/01/78/58/613017858.db2.gz	HHUGMMRACOUACO-UHFFFAOYSA-N	-1	0	267.310	0.215	20	30		CCEDRM
COc1cc(C=NNc2cnnn2C)cc([N+](=O)[O-])c1[O-]	ZINC000814981279	617179700	/nfs/dbraw/zinc/17/97/00/617179700.db2.gz	ACVAPCRKUUKLOH-UHFFFAOYSA-N	-1	0	292.255	0.884	20	30		CCEDRM
CN(CCCNC(=O)[O-])S(=O)(=O)CCCC#N	ZINC000739679583	603262569	/nfs/dbraw/zinc/26/25/69/603262569.db2.gz	VZJAAYRFJKVLID-UHFFFAOYSA-N	-1	0	263.319	0.209	20	30		CCEDRM
N#C[C@H]1CN(C(=O)[O-])CCN1C(=O)c1ccccn1	ZINC000831091355	603600706	/nfs/dbraw/zinc/60/07/06/603600706.db2.gz	CBBZWQBAGMMNOO-VIFPVBQESA-N	-1	0	260.253	0.410	20	30		CCEDRM
N#C[C@@H]1CN(C(=O)[O-])CCN1C(=O)c1cscn1	ZINC000831091824	603604376	/nfs/dbraw/zinc/60/43/76/603604376.db2.gz	LTQANCJWOIMKKK-SSDOTTSWSA-N	-1	0	266.282	0.471	20	30		CCEDRM
Cn1cc(C#N)cc1C(=O)O[C@@H]1CN(C(=O)[O-])CCC1=O	ZINC000830989984	603616886	/nfs/dbraw/zinc/61/68/86/603616886.db2.gz	WMUKDHVRDGOFEL-LLVKDONJSA-N	-1	0	291.263	0.375	20	30		CCEDRM
N#C[C@H]1CN(C(=O)C2(CNC(=O)[O-])CCCC2)CCO1	ZINC000831076786	603663381	/nfs/dbraw/zinc/66/33/81/603663381.db2.gz	SWXVYFQREIIHHB-JTQLQIEISA-N	-1	0	281.312	0.565	20	30		CCEDRM
C[C@@H](C#N)NC(=O)C(C)(C)N1CCN(C(=O)[O-])CC1	ZINC000823648146	603699506	/nfs/dbraw/zinc/69/95/06/603699506.db2.gz	QHVVVUDEFLJGMU-VIFPVBQESA-N	-1	0	268.317	0.089	20	30		CCEDRM
C[C@H](C#N)NC(=O)[C@H]1[C@H](C)OC(C)(C)N1C(=O)[O-]	ZINC000823647429	603699858	/nfs/dbraw/zinc/69/98/58/603699858.db2.gz	LGCCJUAPUGZDJQ-GJMOJQLCSA-N	-1	0	255.274	0.518	20	30		CCEDRM
N#C[C@@H]1CN(C(=O)[O-])CCN1CCOCC(F)(F)F	ZINC000831091647	603729888	/nfs/dbraw/zinc/72/98/88/603729888.db2.gz	JNKXOTWEDWVWIF-MRVPVSSYSA-N	-1	0	281.234	0.753	20	30		CCEDRM
N#Cc1c[nH]c(C(=O)N2CCCN(C(=O)[O-])CC2)c1	ZINC000831114633	603856036	/nfs/dbraw/zinc/85/60/36/603856036.db2.gz	PVBNSICCPJMJBL-UHFFFAOYSA-N	-1	0	262.269	0.712	20	30		CCEDRM
N#Cc1c[nH]c(C(=O)N2CCC[C@H](NC(=O)[O-])C2)c1	ZINC000831113418	603856207	/nfs/dbraw/zinc/85/62/07/603856207.db2.gz	BPEOQWNZGRHFLS-VIFPVBQESA-N	-1	0	262.269	0.759	20	30		CCEDRM
N#CCN1CCN(C(=O)CC2(NC(=O)[O-])CCC2)CC1	ZINC000831102927	604184586	/nfs/dbraw/zinc/18/45/86/604184586.db2.gz	ZPQHUSAHQXGISX-UHFFFAOYSA-N	-1	0	280.328	0.235	20	30		CCEDRM
N#Cc1ccc(CNC(=O)C2(NC(=O)[O-])CC2)cc1	ZINC000831126498	604426250	/nfs/dbraw/zinc/42/62/50/604426250.db2.gz	HTBGOWRRMDXLHQ-UHFFFAOYSA-N	-1	0	259.265	0.975	20	30		CCEDRM
C[C@@H](NC(=O)[O-])[C@@H]1CN(CCCSCC#N)CCO1	ZINC000825350635	604596592	/nfs/dbraw/zinc/59/65/92/604596592.db2.gz	JWZKKINUVNCFIZ-MNOVXSKESA-N	-1	0	287.385	0.990	20	30		CCEDRM
N#C[C@@]1(NC(=O)C[C@H]2CN(C(=O)[O-])CCO2)CCSC1	ZINC000831070762	604799199	/nfs/dbraw/zinc/79/91/99/604799199.db2.gz	RLXLZTLXPDHBSW-CABZTGNLSA-N	-1	0	299.352	0.271	20	30		CCEDRM
C[C@H](NC(=O)[O-])C(=O)OCC(=O)NC1(C#N)CCCCC1	ZINC000833740684	604964652	/nfs/dbraw/zinc/96/46/52/604964652.db2.gz	QTKFKJKXMOLGHG-VIFPVBQESA-N	-1	0	297.311	0.528	20	30		CCEDRM
C#CCCCOC(=O)C[C@H]1CN(C(=O)[O-])CCO1	ZINC000823444028	605063671	/nfs/dbraw/zinc/06/36/71/605063671.db2.gz	BJBGFRXLCLPONI-JTQLQIEISA-N	-1	0	255.270	0.712	20	30		CCEDRM
CC(C)[C@@H](C#N)OC(=O)C[C@H]1CN(C(=O)[O-])CCO1	ZINC000824056238	605069872	/nfs/dbraw/zinc/06/98/72/605069872.db2.gz	KPGDSCDOLHPNFV-VHSXEESVSA-N	-1	0	270.285	0.847	20	30		CCEDRM
C#CCCCNS(=O)(=O)c1cc(C(=O)[O-])co1	ZINC000694209925	605208168	/nfs/dbraw/zinc/20/81/68/605208168.db2.gz	KGPSIUHXHZZCCH-UHFFFAOYSA-N	-1	0	257.267	0.670	20	30		CCEDRM
C[C@H](CC#N)NC(=O)CO[C@H]1CCCN(C(=O)[O-])C1	ZINC000824545318	605283357	/nfs/dbraw/zinc/28/33/57/605283357.db2.gz	WCGRVAWHSSOKDV-ZJUUUORDSA-N	-1	0	269.301	0.564	20	30		CCEDRM
C[C@]1(C#N)CCCN(S(=O)(=O)CCCC(=O)[O-])C1	ZINC000833551881	605417499	/nfs/dbraw/zinc/41/74/99/605417499.db2.gz	UJHLZIOMHDHWDQ-LLVKDONJSA-N	-1	0	274.342	0.807	20	30		CCEDRM
C[C@H](NC(=O)[O-])[C@@H]1CN(c2ccc(C#N)nn2)CCO1	ZINC000833820500	605417471	/nfs/dbraw/zinc/41/74/71/605417471.db2.gz	RUBFGFKWBHPRFP-WPRPVWTQSA-N	-1	0	277.284	0.210	20	30		CCEDRM
C[C@@H](NC(=O)[O-])[C@@H]1CCN(c2ccc(C#N)nn2)C1	ZINC000833815517	605502477	/nfs/dbraw/zinc/50/24/77/605502477.db2.gz	HKTPAOWCUXRHJW-RKDXNWHRSA-N	-1	0	261.285	0.831	20	30		CCEDRM
CC(C)C[C@H](C#N)NC(=O)c1cnc(C(=O)[O-])cn1	ZINC000833473322	605564726	/nfs/dbraw/zinc/56/47/26/605564726.db2.gz	BBXFFIVYNLNLRS-MRVPVSSYSA-N	-1	0	262.269	0.843	20	30		CCEDRM
C[C@H]1CC(=NC(=O)c2cnc(C(=O)[O-])cn2)NO1	ZINC000833599959	605572615	/nfs/dbraw/zinc/57/26/15/605572615.db2.gz	IYXPWJQNVYQPLG-YFKPBYRVSA-N	-1	0	250.214	0.027	20	30		CCEDRM
C[C@H](CC#N)NC(=O)C[C@H]1CSCCN1C(=O)[O-]	ZINC000824544141	605636446	/nfs/dbraw/zinc/63/64/46/605636446.db2.gz	NBHKHLIBHZIGON-BDAKNGLRSA-N	-1	0	271.342	0.890	20	30		CCEDRM
C#CCCNC(=O)NC[C@H]1[C@@H](C)OC(C)(C)N1C(=O)[O-]	ZINC000823444370	613047371	/nfs/dbraw/zinc/04/73/71/613047371.db2.gz	HHFHHUYYZNXTSM-ZJUUUORDSA-N	-1	0	283.328	0.812	20	30		CCEDRM
Cc1onc(CC(=O)N2CC[C@@H](N(C)C(=O)[O-])C2)c1C#N	ZINC000833934807	605693404	/nfs/dbraw/zinc/69/34/04/605693404.db2.gz	CCHVDIQXBIKMEL-SECBINFHSA-N	-1	0	292.295	0.608	20	30		CCEDRM
C[C@@H]1C[C@@H](NC(=O)[O-])CCN1C(=O)CSCC#N	ZINC000825811093	605751908	/nfs/dbraw/zinc/75/19/08/605751908.db2.gz	ZIDWMSOULISWHC-BDAKNGLRSA-N	-1	0	271.342	0.890	20	30		CCEDRM
C[C@@H](CNC(=O)[C@@H](O)c1ccc(C#N)cc1)C(=O)[O-]	ZINC000833517088	605755362	/nfs/dbraw/zinc/75/53/62/605755362.db2.gz	GJWGCSMTWNEUEK-KWQFWETISA-N	-1	0	262.265	0.429	20	30		CCEDRM
COc1ccc(C#N)cc1COC(=O)CNC(=O)[O-]	ZINC000829268177	605813176	/nfs/dbraw/zinc/81/31/76/605813176.db2.gz	DANOARFKEIDNNZ-UHFFFAOYSA-N	-1	0	264.237	0.878	20	30		CCEDRM
N#CCC1CCN(C(=O)C[C@H]2CN(C(=O)[O-])CCO2)CC1	ZINC000833969117	605932564	/nfs/dbraw/zinc/93/25/64/605932564.db2.gz	QZXGCQSBZRJCBR-LBPRGKRZSA-N	-1	0	295.339	0.908	20	30		CCEDRM
N#CC1(COC(=O)CN(C[C@@H]2CCCO2)C(=O)[O-])CC1	ZINC000833964238	606000025	/nfs/dbraw/zinc/00/00/25/606000025.db2.gz	CTKGUUPBSQHOHM-JTQLQIEISA-N	-1	0	282.296	0.992	20	30		CCEDRM
N#C[C@@H]1CCC[C@@H]1NC(=O)c1cnc(NC(=O)[O-])cn1	ZINC000833963952	606058704	/nfs/dbraw/zinc/05/87/04/606058704.db2.gz	XJFPPQZKVVKOEU-YUMQZZPRSA-N	-1	0	275.268	0.989	20	30		CCEDRM
N#Cc1nc(NC(=O)[C@H]2CCSC2)[n-]c1-c1nn[nH]n1	ZINC000822815544	606816212	/nfs/dbraw/zinc/81/62/12/606816212.db2.gz	SSCLMUOKCMMZCY-YFKPBYRVSA-N	-1	0	290.312	0.153	20	30		CCEDRM
N#Cc1ccc(F)cc1Cn1cnc(-c2nnn[n-]2)n1	ZINC000822830130	607038424	/nfs/dbraw/zinc/03/84/24/607038424.db2.gz	VNKAMSIEXDYETG-UHFFFAOYSA-N	-1	0	270.231	0.517	20	30		CCEDRM
C#CC[C@H](NC(=O)Cc1ccc(OC)cn1)C(=O)[O-]	ZINC000910051018	613068304	/nfs/dbraw/zinc/06/83/04/613068304.db2.gz	QBOFPWIOVYQFSD-NSHDSACASA-N	-1	0	262.265	0.225	20	30		CCEDRM
C#CC[C@H](NC(=O)[C@H](C)OCc1ccncc1)C(=O)[O-]	ZINC000910051382	613069172	/nfs/dbraw/zinc/06/91/72/613069172.db2.gz	UCRILHPJNCXDHJ-JQWIXIFHSA-N	-1	0	276.292	0.579	20	30		CCEDRM
Cc1nnc(NN=Cc2ccccc2-c2nn[nH]n2)[n-]c1=O	ZINC000826336937	607882704	/nfs/dbraw/zinc/88/27/04/607882704.db2.gz	VKDGRJSCAWRQRF-UHFFFAOYSA-N	-1	0	297.282	0.512	20	30		CCEDRM
C#C[C@@H](C)OC(=O)c1cc(S(=O)(=O)NC)oc1C	ZINC000121066707	613082556	/nfs/dbraw/zinc/08/25/56/613082556.db2.gz	CZYWZJVTHAOSAT-SSDOTTSWSA-N	-1	0	271.294	0.675	20	30		CCEDRM
C#CCN(CC(=O)[O-])S(=O)(=O)CC1(C#N)CCCC1	ZINC000849219431	613103449	/nfs/dbraw/zinc/10/34/49/613103449.db2.gz	VFSIZCLHPBOUCQ-UHFFFAOYSA-N	-1	0	284.337	0.420	20	30		CCEDRM
C#CCN(CC)CC(=O)Nc1nc(CC(=O)[O-])cs1	ZINC000825614852	613106687	/nfs/dbraw/zinc/10/66/87/613106687.db2.gz	ZQOSUELYLUHRRQ-UHFFFAOYSA-N	-1	0	281.337	0.664	20	30		CCEDRM
C=C(Cl)C[N-]S(=O)(=O)c1nn(C)cc1[N+](=O)[O-]	ZINC000858995383	613383996	/nfs/dbraw/zinc/38/39/96/613383996.db2.gz	DWKYREKZBVDWOB-UHFFFAOYSA-N	-1	0	280.693	0.359	20	30		CCEDRM
C=C(Cl)C[C@H](NC(=O)N[C@H]1COC[C@@H]1C)C(=O)[O-]	ZINC000905608616	613390626	/nfs/dbraw/zinc/39/06/26/613390626.db2.gz	QSZBZRSWEXVZMI-XVYDVKMFSA-N	-1	0	276.720	0.916	20	30		CCEDRM
C=C(Cl)C[C@H](NS(=O)(=O)N1CCCCC1)C(=O)[O-]	ZINC000863421576	613390893	/nfs/dbraw/zinc/39/08/93/613390893.db2.gz	SWLZHDVSRMQXNS-VIFPVBQESA-N	-1	0	296.776	0.903	20	30		CCEDRM
C=CCC(F)(F)C(=O)[N-]S(=O)(=O)CCCC(=O)OC	ZINC000815949203	613454834	/nfs/dbraw/zinc/45/48/34/613454834.db2.gz	GIRSAEJSHFBHGX-UHFFFAOYSA-N	-1	0	299.295	0.597	20	30		CCEDRM
CC(C)[C@@H](NC(=O)[O-])C(=O)NCC1CCN(CC#N)CC1	ZINC000824137951	614124043	/nfs/dbraw/zinc/12/40/43/614124043.db2.gz	XHOQYDDUKVMDDU-GFCCVEGCSA-N	-1	0	296.371	0.630	20	30		CCEDRM
C#CCCCCC(=O)N[C@@]1(CC(=O)[O-])CCOC1	ZINC000909697285	612975757	/nfs/dbraw/zinc/97/57/57/612975757.db2.gz	GLFCRNWIWYADAK-CYBMUJFWSA-N	-1	0	253.298	0.930	20	30		CCEDRM
C#CCCCCC(=O)[N-]S(=O)(=O)c1cnc(OC)nc1	ZINC000893772851	612975808	/nfs/dbraw/zinc/97/58/08/612975808.db2.gz	IHCQGDKPNMXORH-UHFFFAOYSA-N	-1	0	297.336	0.484	20	30		CCEDRM
COc1ccc(C(=O)[N-]S(=O)(=O)CC(C)(C)C#N)o1	ZINC000847674949	617230935	/nfs/dbraw/zinc/23/09/35/617230935.db2.gz	MFAKVERLHPQTTN-UHFFFAOYSA-N	-1	0	286.309	0.898	20	30		CCEDRM
C[C@@H](C#N)OC(=O)c1ccc([N-]S(C)(=O)=O)nc1	ZINC000859921749	617297029	/nfs/dbraw/zinc/29/70/29/617297029.db2.gz	DOAOTQSNXUAALB-ZETCQYMHSA-N	-1	0	269.282	0.522	20	30		CCEDRM
C#CCCCC(=O)N1CC[C@@H](n2cc(C(=O)[O-])nn2)C1	ZINC000910098993	612974768	/nfs/dbraw/zinc/97/47/68/612974768.db2.gz	NNIBWHBIFLNSFG-SNVBAGLBSA-N	-1	0	276.296	0.553	20	30		CCEDRM
C#CCCCCC(=O)O[C@H](C)C(=O)NCC(=O)[O-]	ZINC000833362606	612976028	/nfs/dbraw/zinc/97/60/28/612976028.db2.gz	AMUNETFZWVGRFX-SECBINFHSA-N	-1	0	255.270	0.313	20	30		CCEDRM
C#CCCCCNC(=O)C(=O)NC[C@@H](CC)C(=O)[O-]	ZINC000927942971	612977174	/nfs/dbraw/zinc/97/71/74/612977174.db2.gz	LBVUKVRNSXHOPR-SNVBAGLBSA-N	-1	0	268.313	0.133	20	30		CCEDRM
C#CCCCCNS(=O)(=O)c1csnc1C(=O)[O-]	ZINC000833361487	612978625	/nfs/dbraw/zinc/97/86/25/612978625.db2.gz	ABRUZBZSLKKAII-UHFFFAOYSA-N	-1	0	288.350	0.923	20	30		CCEDRM
C#CCCCNC(=O)C(=O)NCc1cccc(C(=O)[O-])c1	ZINC000817110646	612980368	/nfs/dbraw/zinc/98/03/68/612980368.db2.gz	JCSBBFOMBHZPPA-UHFFFAOYSA-N	-1	0	288.303	0.531	20	30		CCEDRM
C#CCCCNC(=O)CC[C@@H]1C[C@H](C(=O)[O-])CO1	ZINC000911402306	612981065	/nfs/dbraw/zinc/98/10/65/612981065.db2.gz	XJLQVSSMVGSBLC-WDEREUQCSA-N	-1	0	253.298	0.786	20	30		CCEDRM
C#CCOCCNC(=O)NC[C@@H](C(=O)[O-])C1CCC1	ZINC000854233976	612987087	/nfs/dbraw/zinc/98/70/87/612987087.db2.gz	RRJBADTWTVLMDX-LLVKDONJSA-N	-1	0	268.313	0.436	20	30		CCEDRM
C#CCOCCNc1cc(C)nc2nc(C(=O)[O-])nn21	ZINC000833366233	612989847	/nfs/dbraw/zinc/98/98/47/612989847.db2.gz	MTUNEZRRNSOTQQ-UHFFFAOYSA-N	-1	0	275.268	0.193	20	30		CCEDRM
C#CCO[N-]C(=O)CN1CCN(C(=O)OC(C)(C)C)CC1	ZINC000869252053	612992023	/nfs/dbraw/zinc/99/20/23/612992023.db2.gz	BHISVHFQSSYRCK-UHFFFAOYSA-N	-1	0	297.355	0.220	20	30		CCEDRM
C#CCO[N-]C(=O)COc1cccc(C(=O)NC)c1	ZINC000812786558	612992088	/nfs/dbraw/zinc/99/20/88/612992088.db2.gz	NDIDXLDDQYBOCA-UHFFFAOYSA-N	-1	0	262.265	0.106	20	30		CCEDRM
C#CCO[N-]C(=O)COc1ccc([N+](=O)[O-])c(F)c1	ZINC000812781812	612992175	/nfs/dbraw/zinc/99/21/75/612992175.db2.gz	GXRKOTCOHIGUOK-UHFFFAOYSA-N	-1	0	268.200	0.794	20	30		CCEDRM
C#CCO[N-]C(=O)Cn1nc(-c2ccccc2)oc1=O	ZINC000812783793	612992376	/nfs/dbraw/zinc/99/23/76/612992376.db2.gz	GNJBZECVKIHWBV-UHFFFAOYSA-N	-1	0	273.248	0.184	20	30		CCEDRM
C#CCO[N-]C(=O)[C@@H](NCC(F)(F)F)C(C)C	ZINC000855606305	612992401	/nfs/dbraw/zinc/99/24/01/612992401.db2.gz	JUAPSUUVQJAVKD-QMMMGPOBSA-N	-1	0	252.236	0.844	20	30		CCEDRM
C#CCO[N-]C(=O)[C@@H](Cc1c[nH]cn1)NC(=O)CC(C)C	ZINC000812784054	612992503	/nfs/dbraw/zinc/99/25/03/612992503.db2.gz	SHWJOEDQKIOKPU-GFCCVEGCSA-N	-1	0	292.339	0.164	20	30		CCEDRM
C#CCO[N-]C(=O)[C@@H]1CCN(Cc2ccccc2)C1=O	ZINC000825137273	612992741	/nfs/dbraw/zinc/99/27/41/612992741.db2.gz	LOCKRBZCHSNOKY-ZDUSSCGKSA-N	-1	0	272.304	0.716	20	30		CCEDRM
C#CCO[N-]C(=O)[C@H]1CCCN1c1nccs1	ZINC000812785664	612992879	/nfs/dbraw/zinc/99/28/79/612992879.db2.gz	CJTAHCFKVRFXRJ-SECBINFHSA-N	-1	0	251.311	0.793	20	30		CCEDRM
C#CCO[C@@H](C)C(=O)N1C2CCC1(C(=O)[O-])CC2	ZINC000910296847	612993939	/nfs/dbraw/zinc/99/39/39/612993939.db2.gz	ZKAMUKAQPCXJOV-JBLZRFIASA-N	-1	0	251.282	0.633	20	30		CCEDRM
C#CCO[C@@H](C)C(=O)N(C[C@@H](C)C(=O)[O-])C1CC1	ZINC000909456222	612994042	/nfs/dbraw/zinc/99/40/42/612994042.db2.gz	CPJDPQNQNAQBQQ-ZJUUUORDSA-N	-1	0	253.298	0.736	20	30		CCEDRM
C#CCO[C@H](C)C(=O)NCCOc1ccc(C(=O)[O-])cc1	ZINC000909437684	613001577	/nfs/dbraw/zinc/00/15/77/613001577.db2.gz	DDAAIPCOVSKSKC-LLVKDONJSA-N	-1	0	291.303	0.918	20	30		CCEDRM
C#CCO[C@H](C)C(=O)[N-]S(=O)(=O)C(CC)CC	ZINC000835162934	613002089	/nfs/dbraw/zinc/00/20/89/613002089.db2.gz	WCPLBAGUOUJGCO-SECBINFHSA-N	-1	0	261.343	0.659	20	30		CCEDRM
C#CCO[C@H](C)C(=O)N[C@@H](C[C@@H]1CCCOC1)C(=O)[O-]	ZINC000910239459	613002311	/nfs/dbraw/zinc/00/23/11/613002311.db2.gz	DMSAPILSLMSTAY-WOPDTQHZSA-N	-1	0	283.324	0.411	20	30		CCEDRM
C#CCO[C@H](C)C(=O)N[C@@H](CC(=C)Cl)C(=O)[O-]	ZINC000910269472	613002411	/nfs/dbraw/zinc/00/24/11/613002411.db2.gz	BQJBMRGSVIRTKX-BDAKNGLRSA-N	-1	0	259.689	0.737	20	30		CCEDRM
C#CCO[C@H](C)C(=O)N[C@@H]1C[C@H]2C[C@@]2(C(=O)[O-])C1	ZINC000910342391	613002765	/nfs/dbraw/zinc/00/27/65/613002765.db2.gz	MRTLYXPMFOTLDP-BSTOTGJRSA-N	-1	0	251.282	0.394	20	30		CCEDRM
C#CCO[C@H](C)C(=O)N[C@@](C)(CC(=O)[O-])C1CC1	ZINC000910320463	613003017	/nfs/dbraw/zinc/00/30/17/613003017.db2.gz	ZEZSYESTVMJOKA-RNCFNFMXSA-N	-1	0	253.298	0.784	20	30		CCEDRM
C#CCCN1CCN([C@@H](C(=O)[O-])c2cccnc2)CC1	ZINC000833362266	613012112	/nfs/dbraw/zinc/01/21/12/613012112.db2.gz	ISQRIMABGHLAHS-CQSZACIVSA-N	-1	0	273.336	0.848	20	30		CCEDRM
C#CCSCCNC(=O)N1CC[C@@H](N(C)C(=O)[O-])C1	ZINC000823466737	613016364	/nfs/dbraw/zinc/01/63/64/613016364.db2.gz	HNGLGWKNIBGAHJ-SNVBAGLBSA-N	-1	0	285.369	0.747	20	30		CCEDRM
C#CC[C@@H](CO)NC(=O)C1(C(=O)[O-])CC2(CCC2)C1	ZINC000911395042	613023538	/nfs/dbraw/zinc/02/35/38/613023538.db2.gz	JBAZFZRYMRDNCU-JTQLQIEISA-N	-1	0	265.309	0.522	20	30		CCEDRM
C#CC[C@@H](NC(=O)C1(c2cccnc2)CC1)C(=O)[O-]	ZINC000910049980	613039440	/nfs/dbraw/zinc/03/94/40/613039440.db2.gz	BGPWCQWVKHBLHI-LLVKDONJSA-N	-1	0	258.277	0.706	20	30		CCEDRM
C#CC[C@@H](NC(=O)c1c[nH]nc1C(C)(C)C)C(=O)[O-]	ZINC000910048510	613041534	/nfs/dbraw/zinc/04/15/34/613041534.db2.gz	LCVVWXUBDLRNFN-SECBINFHSA-N	-1	0	263.297	0.914	20	30		CCEDRM
C#CCCNC(=O)C(=O)Nc1ccc(NC(=O)[O-])c(F)c1	ZINC000833364755	613046766	/nfs/dbraw/zinc/04/67/66/613046766.db2.gz	CUZLZQQDYCOJFV-UHFFFAOYSA-N	-1	0	293.254	0.994	20	30		CCEDRM
C#CCCS(=O)(=O)[N-]C(=O)CC(C)(C)CC(C)=O	ZINC000810782256	613052734	/nfs/dbraw/zinc/05/27/34/613052734.db2.gz	JQIGTNFEALIGQV-UHFFFAOYSA-N	-1	0	273.354	0.851	20	30		CCEDRM
C#CCCS(=O)(=O)[N-]C(=O)C[C@@H]1CCC(=O)[C@H]1C	ZINC000810784848	613052999	/nfs/dbraw/zinc/05/29/99/613052999.db2.gz	PWEGIIGJHDQUDA-UWVGGRQHSA-N	-1	0	271.338	0.461	20	30		CCEDRM
C#CCCS(=O)(=O)[N-]C(=O)[C@@H]1CC[C@@H]2C[C@@H]2C1	ZINC000817733194	613053215	/nfs/dbraw/zinc/05/32/15/613053215.db2.gz	YAEXEXDQAQDUCR-GMTAPVOTSA-N	-1	0	255.339	0.892	20	30		CCEDRM
C#CCCS(=O)(=O)[N-]C(=O)c1ccc2nnc(C)n2c1	ZINC000810782114	613053575	/nfs/dbraw/zinc/05/35/75/613053575.db2.gz	XPVXASRKVLGLBR-UHFFFAOYSA-N	-1	0	292.320	0.121	20	30		CCEDRM
C#CCCS(=O)(=O)[N-]C(=O)c1cccnc1C	ZINC000798202461	613053743	/nfs/dbraw/zinc/05/37/43/613053743.db2.gz	FVLHFZKPWHYNLF-UHFFFAOYSA-N	-1	0	252.295	0.473	20	30		CCEDRM
C#CCCS(=O)(=O)[N-]C(=O)c1sc2nccn2c1C	ZINC000810785427	613053928	/nfs/dbraw/zinc/05/39/28/613053928.db2.gz	HGSNIBBMDFVZIQ-UHFFFAOYSA-N	-1	0	297.361	0.787	20	30		CCEDRM
C#CCCS(=O)(=O)[N-]C(=O)c1oc(C)cc1C	ZINC000810782557	613053939	/nfs/dbraw/zinc/05/39/39/613053939.db2.gz	SFURBVNJDFYRKU-UHFFFAOYSA-N	-1	0	255.295	0.979	20	30		CCEDRM
COc1ccccc1CC(=O)N[C@H]1CCN(O)C1=O	ZINC000816696318	617314136	/nfs/dbraw/zinc/31/41/36/617314136.db2.gz	WKHFQXSBEVBBHC-JTQLQIEISA-N	-1	0	264.281	0.344	20	30		CCEDRM
C#CCCn1nc(CC)c(CC)c(-c2nnn[n-]2)c1=O	ZINC000819697365	613064908	/nfs/dbraw/zinc/06/49/08/613064908.db2.gz	BUGTZUYLXWJYNW-UHFFFAOYSA-N	-1	0	272.312	0.572	20	30		CCEDRM
C#CC[C@H](NC(=O)C1(C#N)CCSCC1)C(=O)[O-]	ZINC000907720068	613067447	/nfs/dbraw/zinc/06/74/47/613067447.db2.gz	WLUFLDZJAIBKGO-VIFPVBQESA-N	-1	0	266.322	0.616	20	30		CCEDRM
C#CC[C@H](NC(=O)COc1cccc(C(C)=O)c1)C(=O)[O-]	ZINC000910051952	613067907	/nfs/dbraw/zinc/06/79/07/613067907.db2.gz	JTFMOFNUSURIMV-ZDUSSCGKSA-N	-1	0	289.287	0.861	20	30		CCEDRM
C#CC[C@H](NC(=O)[C@H](C)OCCOCC)C(=O)[O-]	ZINC000910053402	613069217	/nfs/dbraw/zinc/06/92/17/613069217.db2.gz	SXZZYXXULCUQDV-UWVGGRQHSA-N	-1	0	257.286	0.021	20	30		CCEDRM
C#CC[C@H](NC(=O)[C@H]1CCc2ncncc2C1)C(=O)[O-]	ZINC000910046438	613069741	/nfs/dbraw/zinc/06/97/41/613069741.db2.gz	PLMWHNBUOSGFBJ-CABZTGNLSA-N	-1	0	273.292	0.174	20	30		CCEDRM
C#CC[C@H](NC(=O)c1ccc(C)nc1OC)C(=O)[O-]	ZINC000910054158	613070097	/nfs/dbraw/zinc/07/00/97/613070097.db2.gz	MSKMHZIPKGQDCF-JTQLQIEISA-N	-1	0	262.265	0.605	20	30		CCEDRM
C#CC[C@H](NC(=O)c1cnn(CC(C)C)c1)C(=O)[O-]	ZINC000910048403	613070596	/nfs/dbraw/zinc/07/05/96/613070596.db2.gz	KWWGKSRYPCUBHV-NSHDSACASA-N	-1	0	263.297	0.745	20	30		CCEDRM
C#CC[C@H](OC(=O)[C@H]1CN(C(=O)[O-])CCO1)C1CC1	ZINC000823440893	613071427	/nfs/dbraw/zinc/07/14/27/613071427.db2.gz	LYODVEQIVLVJEZ-WDEREUQCSA-N	-1	0	267.281	0.710	20	30		CCEDRM
C#CCn1cc(C[N-]S(=O)(=O)c2conc2C)cn1	ZINC000882349491	613078294	/nfs/dbraw/zinc/07/82/94/613078294.db2.gz	QAZRAIYYKDAQDQ-UHFFFAOYSA-N	-1	0	280.309	0.291	20	30		CCEDRM
C#C[C@@H](C)N(C)C(=O)CC1(C(=O)[O-])CCOCC1	ZINC000911385074	613078976	/nfs/dbraw/zinc/07/89/76/613078976.db2.gz	NAIPUVRANZZBFO-SNVBAGLBSA-N	-1	0	253.298	0.738	20	30		CCEDRM
C#C[C@@H](CO)N=c1nc(C)[nH]c2sc(C(=O)[O-])c(C)c21	ZINC000910375337	613085964	/nfs/dbraw/zinc/08/59/64/613085964.db2.gz	LSYKKXIKVSRQPT-QMMMGPOBSA-N	-1	0	291.332	0.834	20	30		CCEDRM
C#C[C@@H](NC(=O)C(C)(C)C(=O)[O-])C1CCOCC1	ZINC000911792215	613091380	/nfs/dbraw/zinc/09/13/80/613091380.db2.gz	RCQPCDZKHDBUHS-SNVBAGLBSA-N	-1	0	253.298	0.642	20	30		CCEDRM
C#CCN(CC#C)C(=O)CC1CCN(C(=O)[O-])CC1	ZINC000823450379	613098632	/nfs/dbraw/zinc/09/86/32/613098632.db2.gz	AQSHNEWJLSFZTH-UHFFFAOYSA-N	-1	0	262.309	0.862	20	30		CCEDRM
C#CCN(CC)C(=O)C(=O)Nc1cccc(F)c1C(=O)[O-]	ZINC000833364357	613105245	/nfs/dbraw/zinc/10/52/45/613105245.db2.gz	KOCTUDILKIGRHY-UHFFFAOYSA-N	-1	0	292.266	0.944	20	30		CCEDRM
C#CCN(CC)C(=O)NC[C@H](NC(=O)[O-])C1CC1	ZINC000833787671	613105703	/nfs/dbraw/zinc/10/57/03/613105703.db2.gz	XMAPLMSUBXNBBR-JTQLQIEISA-N	-1	0	253.302	0.697	20	30		CCEDRM
C#C[C@H]1CC[C@H](NC(=O)NCC(=O)[N-]OCC)CC1	ZINC000873057749	613108079	/nfs/dbraw/zinc/10/80/79/613108079.db2.gz	ZRXHHGCYXGNVKR-XYPYZODXSA-N	-1	0	267.329	0.545	20	30		CCEDRM
C#C[C@@](C)(CC)NC(=O)c1cc(S(N)(=O)=O)ccc1[O-]	ZINC000854694310	613112744	/nfs/dbraw/zinc/11/27/44/613112744.db2.gz	MJRXGPHIDRTJSC-ZDUSSCGKSA-N	-1	0	296.348	0.571	20	30		CCEDRM
C#C[C@H]([N-]S(=O)(=O)N=[S@@](C)(=O)CC)[C@@H]1CCCO1	ZINC000867124524	613151995	/nfs/dbraw/zinc/15/19/95/613151995.db2.gz	CJBMKWPNKWUFPT-YMNVWFMLSA-N	-1	0	294.398	0.119	20	30		CCEDRM
C#C[C@H]1COCCN1C(=O)N[C@H]1CC[C@@H](C(=O)[O-])C1	ZINC000831089332	613161248	/nfs/dbraw/zinc/16/12/48/613161248.db2.gz	XILGSNJFTVQGCB-VWYCJHECSA-N	-1	0	266.297	0.283	20	30		CCEDRM
C#Cc1ccc(C(=O)N2CCC([C@H](O)C(=O)[O-])CC2)cn1	ZINC000833368837	613168053	/nfs/dbraw/zinc/16/80/53/613168053.db2.gz	VPHKUAQBQQBEII-ZDUSSCGKSA-N	-1	0	288.303	0.361	20	30		CCEDRM
C#Cc1ccc(C(=O)NC2(CC(=O)[O-])CCOCC2)cn1	ZINC000825637005	613177159	/nfs/dbraw/zinc/17/71/59/613177159.db2.gz	ZXINAGIZEUIALB-UHFFFAOYSA-N	-1	0	288.303	0.817	20	30		CCEDRM
C#Cc1ccc(C(=O)N[C@@H](CC(F)F)C(=O)[O-])nc1	ZINC000833368070	613183137	/nfs/dbraw/zinc/18/31/37/613183137.db2.gz	FDWSFFGSNIODOW-VIFPVBQESA-N	-1	0	268.219	0.901	20	30		CCEDRM
C#CCN1CCC[C@H]1C(=O)Nc1cc(C(=O)[O-])n(C)c1	ZINC000825618880	613203203	/nfs/dbraw/zinc/20/32/03/613203203.db2.gz	GNAZGRAHJOZRFE-NSHDSACASA-N	-1	0	275.308	0.759	20	30		CCEDRM
C#Cc1cccc(NC(=O)CNC(=O)[C@H](C)NC(=O)[O-])c1	ZINC000833368929	613204253	/nfs/dbraw/zinc/20/42/53/613204253.db2.gz	XCYAZEABDBLPOS-VIFPVBQESA-N	-1	0	289.291	0.379	20	30		CCEDRM
C#CCN1CCN(C(=O)C2(C(=O)[O-])CC3(CCC3)C2)CC1	ZINC000911150352	613204345	/nfs/dbraw/zinc/20/43/45/613204345.db2.gz	INALRGFCPXBHDE-UHFFFAOYSA-N	-1	0	290.363	0.799	20	30		CCEDRM
C#CCN1CCN(C(=O)c2ccc(C(=O)[O-])cc2F)CC1	ZINC000911152444	613208381	/nfs/dbraw/zinc/20/83/81/613208381.db2.gz	VQFZXSDVAOOAAT-UHFFFAOYSA-N	-1	0	290.294	0.915	20	30		CCEDRM
C#Cc1cncc(C(=O)NC[C@@]2(C(=O)[O-])CCCOC2)c1	ZINC000910307618	613217783	/nfs/dbraw/zinc/21/77/83/613217783.db2.gz	BSCLONXOVZINQQ-HNNXBMFYSA-N	-1	0	288.303	0.674	20	30		CCEDRM
C#CCNC(=O)CC1(C(=O)[O-])Cc2ccccc2C1	ZINC000872899135	613324039	/nfs/dbraw/zinc/32/40/39/613324039.db2.gz	CIPQMDHDQVPNJU-UHFFFAOYSA-N	-1	0	257.289	0.996	20	30		CCEDRM
C=C(C)CO[N-]C(=O)[C@@]12CCC(=O)N1CCS2	ZINC000846538147	613353846	/nfs/dbraw/zinc/35/38/46/613353846.db2.gz	QUQKJQZDHFQKFB-NSHDSACASA-N	-1	0	256.327	0.676	20	30		CCEDRM
C=C(C)CO[N-]C(=O)[C@H](c1cncn1C)N(C)C	ZINC000846534162	613353849	/nfs/dbraw/zinc/35/38/49/613353849.db2.gz	UYCDNHYWXZBRCM-NSHDSACASA-N	-1	0	252.318	0.647	20	30		CCEDRM
C=C(C)C[C@@H](NC(=O)[C@@H]1CC[C@H]1C(=O)[O-])C(=O)OC	ZINC000902320282	613356021	/nfs/dbraw/zinc/35/60/21/613356021.db2.gz	AAFGBJJIRWQAHA-OPRDCNLKSA-N	-1	0	269.297	0.721	20	30		CCEDRM
C=C(C)C[C@@H](NS(=O)(=O)[C@@H](C)COC)C(=O)[O-]	ZINC000864452855	613356912	/nfs/dbraw/zinc/35/69/12/613356912.db2.gz	TZSJGFBSAVXJSP-DTWKUNHWSA-N	-1	0	265.331	0.360	20	30		CCEDRM
C=C(C)C[C@H](NC(=O)[C@H](C)C(=O)[O-])C(=O)OCC	ZINC000902692128	613358978	/nfs/dbraw/zinc/35/89/78/613358978.db2.gz	GRSDRUROMZRBAK-IUCAKERBSA-N	-1	0	257.286	0.721	20	30		CCEDRM
C=C(C)C[C@H](NS(=O)(=O)CC1(F)CC1)C(=O)[O-]	ZINC000905999535	613359784	/nfs/dbraw/zinc/35/97/84/613359784.db2.gz	DUKARPBAKBWDDE-QMMMGPOBSA-N	-1	0	265.306	0.827	20	30		CCEDRM
C=C(C)[C@@H](CC(=O)NCC(=O)[N-]OCC)OCC	ZINC000846493500	613360187	/nfs/dbraw/zinc/36/01/87/613360187.db2.gz	IFDFMBPRGPEIDJ-SNVBAGLBSA-N	-1	0	258.318	0.542	20	30		CCEDRM
C=C(C)[C@@H](CC(=O)NC1CN(C(=O)[O-])C1)OCC	ZINC000833367809	613360188	/nfs/dbraw/zinc/36/01/88/613360188.db2.gz	WBTGHWIYPPMCKQ-SNVBAGLBSA-N	-1	0	256.302	0.836	20	30		CCEDRM
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CCC(O)(C(=O)[O-])CC1	ZINC000909284079	613360915	/nfs/dbraw/zinc/36/09/15/613360915.db2.gz	DTVIGTCQBGVJQD-QWRGUYRKSA-N	-1	0	283.324	0.406	20	30		CCEDRM
C=C(C)[C@@H]1OCC[C@H]1CNC(=O)N=c1nn[n-]n1CC	ZINC000888326666	613362081	/nfs/dbraw/zinc/36/20/81/613362081.db2.gz	CWYCXYXFLDOVCP-UWVGGRQHSA-N	-1	0	280.332	0.218	20	30		CCEDRM
C=C(Cl)C[C@@H](NC(=O)COCCOC)C(=O)[O-]	ZINC000864181522	613388419	/nfs/dbraw/zinc/38/84/19/613388419.db2.gz	CPCKPAGSZZLFBX-MRVPVSSYSA-N	-1	0	265.693	0.361	20	30		CCEDRM
C=C(Cl)C[C@H](NC(=O)c1cn2c(n1)COCC2)C(=O)[O-]	ZINC000910271286	613390838	/nfs/dbraw/zinc/39/08/38/613390838.db2.gz	OBIZTQMLDYSCCK-QMMMGPOBSA-N	-1	0	299.714	0.739	20	30		CCEDRM
C=C(Cl)C[C@H](NS(=O)(=O)C[C@H]1CCCO1)C(=O)[O-]	ZINC000863422045	613390958	/nfs/dbraw/zinc/39/09/58/613390958.db2.gz	ZFCYMDVYMLICRP-BDAKNGLRSA-N	-1	0	297.760	0.681	20	30		CCEDRM
C=C1CC(C)(C(=O)N2CCO[C@H](c3nnn[n-]3)C2)C1	ZINC000865595097	613393648	/nfs/dbraw/zinc/39/36/48/613393648.db2.gz	AHYGWLMOZIAXQT-VIFPVBQESA-N	-1	0	263.301	0.456	20	30		CCEDRM
C=CCS(=O)(=O)[N-]C(=O)c1cnn(CCF)c1	ZINC000808995229	613394699	/nfs/dbraw/zinc/39/46/99/613394699.db2.gz	NCPGEQVUMQXYNZ-UHFFFAOYSA-N	-1	0	261.278	0.098	20	30		CCEDRM
C=CC[C@@H](CO)CNC(=O)CC[C@@H]1C[C@H](C(=O)[O-])CO1	ZINC000911650476	613401467	/nfs/dbraw/zinc/40/14/67/613401467.db2.gz	ARMRWZKAFAMHCN-GRYCIOLGSA-N	-1	0	285.340	0.557	20	30		CCEDRM
C=CC[C@@H](CO)CNC(=O)c1cc(-c2nn[nH]n2)cs1	ZINC000823888376	613402345	/nfs/dbraw/zinc/40/23/45/613402345.db2.gz	KPVMCHRZJINNPI-MRVPVSSYSA-N	-1	0	293.352	0.843	20	30		CCEDRM
C=CC[C@@H](CO)CNS(=O)(=O)N=[S@@](C)(=O)CC	ZINC000867057200	613403213	/nfs/dbraw/zinc/40/32/13/613403213.db2.gz	JJTGXUITIZIDJO-ABKXIKBNSA-N	-1	0	284.403	0.123	20	30		CCEDRM
C=CC[C@@H]1CCN(C(=O)C(=O)NC[C@H](CC)C(=O)[O-])C1	ZINC000927959382	613408216	/nfs/dbraw/zinc/40/82/16/613408216.db2.gz	NQECQGNIRWVXRX-MNOVXSKESA-N	-1	0	282.340	0.638	20	30		CCEDRM
C=CC[C@H](C)NC(=O)CCCn1c(=O)[n-][nH]c1=O	ZINC000906724067	613413763	/nfs/dbraw/zinc/41/37/63/613413763.db2.gz	FQPSLYLPOHIWMZ-QMMMGPOBSA-N	-1	0	254.290	0.550	20	30		CCEDRM
C=CC[C@H](CO)CNC(=S)NCCCC(=O)[O-]	ZINC000833369823	613416297	/nfs/dbraw/zinc/41/62/97/613416297.db2.gz	FVQVUXNVCQZFDU-VIFPVBQESA-N	-1	0	260.359	0.500	20	30		CCEDRM
C=CC[C@H](CO)CNS(=O)(=O)N=S1(=O)CCCC1	ZINC000867057712	613416358	/nfs/dbraw/zinc/41/63/58/613416358.db2.gz	ZBLXYIUXWYGBOD-JTQLQIEISA-N	-1	0	296.414	0.267	20	30		CCEDRM
C=C1[C@H](C(=O)[N-]OCCC)[C@@H]1C(=O)[N-]OCCC	ZINC000911552729	613418144	/nfs/dbraw/zinc/41/81/44/613418144.db2.gz	KQTNFISLPYBRGU-AOOOYVTPSA-N	-1	0	256.302	0.704	20	30		CCEDRM
C=C[C@@H](C)O[N-]C(=O)C(=O)Nc1ccc(N(C)C)nc1	ZINC000846151763	613443239	/nfs/dbraw/zinc/44/32/39/613443239.db2.gz	GRYWZKHUZQBOLB-SECBINFHSA-N	-1	0	278.312	0.708	20	30		CCEDRM
C=CC(C)(C)C(=O)[N-]S(=O)(=O)C1(COC)CC1	ZINC000835452799	613444132	/nfs/dbraw/zinc/44/41/32/613444132.db2.gz	VQQFMPSXRBMIRX-UHFFFAOYSA-N	-1	0	261.343	0.824	20	30		CCEDRM
C=CC(C)(C)CCCNC(=O)C(=O)[N-]OCCOC	ZINC000875833186	613446625	/nfs/dbraw/zinc/44/66/25/613446625.db2.gz	YTXBPKJQMRUCON-UHFFFAOYSA-N	-1	0	272.345	0.789	20	30		CCEDRM
C=C[C@@H](C)O[N-]C(=O)[C@@](C)(O)Cn1ccccc1=O	ZINC000846555976	613447268	/nfs/dbraw/zinc/44/72/68/613447268.db2.gz	WEFGXOZZBQBWOX-MFKMUULPSA-N	-1	0	266.297	0.222	20	30		CCEDRM
C=CC(C)(C)CCNC(=O)C(=O)NC[C@H](CC)C(=O)[O-]	ZINC000927954071	613447447	/nfs/dbraw/zinc/44/74/47/613447447.db2.gz	PHRXWNVUSGCCFH-JTQLQIEISA-N	-1	0	284.356	0.932	20	30		CCEDRM
C=C[C@@H](CCC(=O)[O-])NS(=O)(=O)[C@H]1CCOC1	ZINC000871741763	613449010	/nfs/dbraw/zinc/44/90/10/613449010.db2.gz	DJKZUDKHOIPAAS-IUCAKERBSA-N	-1	0	263.315	0.114	20	30		CCEDRM
C=CC1(S(=O)(=O)[N-]C(=O)CCn2ccccc2=O)CC1	ZINC000870832224	613450390	/nfs/dbraw/zinc/45/03/90/613450390.db2.gz	XWMPSBWQFZADRL-UHFFFAOYSA-N	-1	0	296.348	0.403	20	30		CCEDRM
C=CC1(S(=O)(=O)[N-]C(=O)[C@@H]2O[C@H](C)C[C@H]2C)CC1	ZINC000870837165	613451184	/nfs/dbraw/zinc/45/11/84/613451184.db2.gz	ZHLUKEZYYFLFFI-OPRDCNLKSA-N	-1	0	273.354	0.965	20	30		CCEDRM
C=C[C@@H](O)C(=O)N[C@H](CC(=O)[O-])c1ccc(OC)cc1	ZINC000908595341	613452695	/nfs/dbraw/zinc/45/26/95/613452695.db2.gz	PQHVCXKHNDENMU-VXGBXAGGSA-N	-1	0	279.292	0.874	20	30		CCEDRM
C=C[C@@H](O)C(=O)N[C@H](CC(=O)[O-])c1cccs1	ZINC000908641686	613452714	/nfs/dbraw/zinc/45/27/14/613452714.db2.gz	KMOYFXXHWUACSE-HTQZYQBOSA-N	-1	0	255.295	0.927	20	30		CCEDRM
C=CCC(CC=C)C(=O)N[C@@H](C)C(=O)N[C@H](C)C(=O)[O-]	ZINC000910750811	613453557	/nfs/dbraw/zinc/45/35/57/613453557.db2.gz	MSJSTXINDDLNEX-VHSXEESVSA-N	-1	0	282.340	0.849	20	30		CCEDRM
C=CCC(CC=C)C(=O)N1CCC[C@H]1C(=O)NCC(=O)[O-]	ZINC000910756430	613453568	/nfs/dbraw/zinc/45/35/68/613453568.db2.gz	DOPNEOHXBNJPHP-LBPRGKRZSA-N	-1	0	294.351	0.947	20	30		CCEDRM
C=CCC1(C(=O)N2CCC(O)(c3nnn[n-]3)CC2)CCC1	ZINC000816492778	613456076	/nfs/dbraw/zinc/45/60/76/613456076.db2.gz	CDQDLVDPHVQCSD-UHFFFAOYSA-N	-1	0	291.355	0.756	20	30		CCEDRM
C=CCC1(O)CCN(C(=O)N=c2nn[n-]n2CC)CC1	ZINC000888318103	613457850	/nfs/dbraw/zinc/45/78/50/613457850.db2.gz	DCAXRHHWUSUJLD-UHFFFAOYSA-N	-1	0	280.332	0.050	20	30		CCEDRM
C=CCC1(S(=O)(=O)[N-]C(=O)C(C)(C)OC)CC1	ZINC000810986325	613460790	/nfs/dbraw/zinc/46/07/90/613460790.db2.gz	VTQVYDLCJUQYOL-UHFFFAOYSA-N	-1	0	261.343	0.966	20	30		CCEDRM
C=CCCC(=O)[N-]S(=O)(=O)Cc1ccccn1	ZINC000798205923	613462528	/nfs/dbraw/zinc/46/25/28/613462528.db2.gz	IUJASKRWJFIUIQ-UHFFFAOYSA-N	-1	0	254.311	0.994	20	30		CCEDRM
C=CCCC[C@@H](NC(=O)[C@@H](C)n1cncn1)C(=O)[O-]	ZINC000910913893	613471130	/nfs/dbraw/zinc/47/11/30/613471130.db2.gz	FPVBTFCBCMVHEE-NXEZZACHSA-N	-1	0	266.301	0.765	20	30		CCEDRM
C=CCCC[C@@H](NC(=O)c1cnn(C)n1)C(=O)[O-]	ZINC000910914818	613471426	/nfs/dbraw/zinc/47/14/26/613471426.db2.gz	KUNSHYOLSHIXTM-MRVPVSSYSA-N	-1	0	252.274	0.354	20	30		CCEDRM
C=CCCC[C@H](NC(=O)[C@@]1(O)CCSC1)C(=O)[O-]	ZINC000910915841	613473638	/nfs/dbraw/zinc/47/36/38/613473638.db2.gz	BSBNBHUZTOCSSX-JOYOIKCWSA-N	-1	0	273.354	0.780	20	30		CCEDRM
C=C[C@H](C)O[N-]C(=O)C(=O)Nc1ccnc(OCCO)c1	ZINC000850477482	613483676	/nfs/dbraw/zinc/48/36/76/613483676.db2.gz	HEDWVSGITWNDOI-VIFPVBQESA-N	-1	0	295.295	0.014	20	30		CCEDRM
C=C[C@H](C)O[N-]C(=O)C(=O)Nc1ccc(OC(C)C)nn1	ZINC000846155320	613483723	/nfs/dbraw/zinc/48/37/23/613483723.db2.gz	FYWYCYWJHIGIBP-VIFPVBQESA-N	-1	0	294.311	0.825	20	30		CCEDRM
C=C[C@H](C)O[N-]C(=O)CN(C)S(=O)(=O)c1ccccc1	ZINC000846549043	613484113	/nfs/dbraw/zinc/48/41/13/613484113.db2.gz	IQUXSHZSSFLDRO-NSHDSACASA-N	-1	0	298.364	0.929	20	30		CCEDRM
C=C[C@H](C)O[N-]C(=O)CN1C(=O)NC(CC)(CC)C1=O	ZINC000846541812	613484285	/nfs/dbraw/zinc/48/42/85/613484285.db2.gz	NKSJSBPFYBWFPP-VIFPVBQESA-N	-1	0	283.328	0.719	20	30		CCEDRM
C=C[C@H](C)O[N-]C(=O)[C@@](C)(O)Cn1ccc(C)cc1=O	ZINC000846555698	613488189	/nfs/dbraw/zinc/48/81/89/613488189.db2.gz	UTUSIAPIEIXDKH-FZMZJTMJSA-N	-1	0	280.324	0.530	20	30		CCEDRM
C=C[C@H](C)O[N-]C(=O)[C@]12CCC(=O)N1CCS2	ZINC000846543490	613488728	/nfs/dbraw/zinc/48/87/28/613488728.db2.gz	KUWHMCCWZKPVQV-GZMMTYOYSA-N	-1	0	256.327	0.674	20	30		CCEDRM
C=C[C@H](CCC(=O)[O-])NS(=O)(=O)CCCCOC	ZINC000871742207	613490004	/nfs/dbraw/zinc/49/00/04/613490004.db2.gz	KQHPOWODHWUNPX-SNVBAGLBSA-N	-1	0	279.358	0.752	20	30		CCEDRM
C=C[C@H](O)C(=O)N(CCC(=O)[O-])Cc1cccnc1	ZINC000911272121	613493606	/nfs/dbraw/zinc/49/36/06/613493606.db2.gz	IHTAYAXBSALKLX-NSHDSACASA-N	-1	0	264.281	0.432	20	30		CCEDRM
C=C[C@H](O)C(=O)NC[C@@H](CC1CCCC1)C(=O)[O-]	ZINC000908288855	613495679	/nfs/dbraw/zinc/49/56/79/613495679.db2.gz	OVDVPYURHHAZNK-MNOVXSKESA-N	-1	0	255.314	0.931	20	30		CCEDRM
C=C[C@](C)(O)C(=O)N[C@@H](Cc1ccncc1)C(=O)[O-]	ZINC000911573512	613508040	/nfs/dbraw/zinc/50/80/40/613508040.db2.gz	KQFJQEPJOCHXLA-GWCFXTLKSA-N	-1	0	264.281	0.131	20	30		CCEDRM
C=CCCOCC(=O)N1CC[C@@H](C(=O)[O-])C[C@@H]1C(=O)OC	ZINC000833374154	613571690	/nfs/dbraw/zinc/57/16/90/613571690.db2.gz	SZACEZSOBYXCOH-GHMZBOCLSA-N	-1	0	299.323	0.444	20	30		CCEDRM
C=CCCOCC(=O)NCCCc1c[nH][nH]c1=O	ZINC000898735051	613571986	/nfs/dbraw/zinc/57/19/86/613571986.db2.gz	RCVBRRHAZVNOKK-JTQLQIEISA-N	-1	0	253.302	0.207	20	30		CCEDRM
C=CCCO[N-]C(=O)[C@@H](NS(C)(=O)=O)C(C)C	ZINC000856030390	613576677	/nfs/dbraw/zinc/57/66/77/613576677.db2.gz	DREROECHHBTHPP-VIFPVBQESA-N	-1	0	264.347	0.184	20	30		CCEDRM
C=CCCO[N-]C(=O)[C@@H](C)S(=O)(=O)C1CCOCC1	ZINC000856033136	613576801	/nfs/dbraw/zinc/57/68/01/613576801.db2.gz	YYAOQZPJFDWYFD-SNVBAGLBSA-N	-1	0	291.369	0.593	20	30		CCEDRM
C=CCCO[N-]C(=O)[C@@H](O)[C@@H](O)c1nc2ccccc2[nH]1	ZINC000856033184	613576829	/nfs/dbraw/zinc/57/68/29/613576829.db2.gz	ASHCHVJQQSCBGR-NEPJUHHUSA-N	-1	0	291.307	0.581	20	30		CCEDRM
C=CCCO[N-]C(=O)c1cnc2n(c1=O)CCS2	ZINC000856029201	613577759	/nfs/dbraw/zinc/57/77/59/613577759.db2.gz	DCJJFBXRIVCSOP-UHFFFAOYSA-N	-1	0	267.310	0.587	20	30		CCEDRM
C=CCCO[C@@H](C)C(=O)[N-]S(=O)(=O)CC(F)F	ZINC000851360049	613578022	/nfs/dbraw/zinc/57/80/22/613578022.db2.gz	LBNVPZCAAKDLTD-ZETCQYMHSA-N	-1	0	271.285	0.679	20	30		CCEDRM
C=CCCO[C@H](C)C(=O)N1CCC[C@@H](O)[C@H]1C(=O)[O-]	ZINC000911639524	613578885	/nfs/dbraw/zinc/57/88/85/613578885.db2.gz	SGPMMLFFKCANKB-MXWKQRLJSA-N	-1	0	271.313	0.404	20	30		CCEDRM
C=CCC[C@@H](NS(=O)(=O)N(C)C[C@H](C)C#N)C(=O)[O-]	ZINC000844785756	613585713	/nfs/dbraw/zinc/58/57/13/613585713.db2.gz	MRUIASDHDREULM-NXEZZACHSA-N	-1	0	289.357	0.332	20	30		CCEDRM
C=CCC[C@H](NC(=O)C1(n2cccn2)CC1)C(=O)[O-]	ZINC000907662863	613589415	/nfs/dbraw/zinc/58/94/15/613589415.db2.gz	YBIOBSDJGVQYQD-JTQLQIEISA-N	-1	0	263.297	0.908	20	30		CCEDRM
C=CCC[C@H](NC(=O)CCc1cnccn1)C(=O)[O-]	ZINC000909712725	613589417	/nfs/dbraw/zinc/58/94/17/613589417.db2.gz	MBQIEFHORZKQAV-NSHDSACASA-N	-1	0	263.297	0.945	20	30		CCEDRM
C=CCN(C(=O)C(=O)N1CC[C@](C)(C(=O)[O-])C1)C(C)C	ZINC000817894199	613601831	/nfs/dbraw/zinc/60/18/31/613601831.db2.gz	KTNKGJHCJYFHJZ-AWEZNQCLSA-N	-1	0	282.340	0.733	20	30		CCEDRM
C=CCN(C(=O)C(=O)N1C[C@H](C)C[C@@H](C(=O)[O-])C1)C(C)C	ZINC000817895626	613602554	/nfs/dbraw/zinc/60/25/54/613602554.db2.gz	WLDCBIMHUJPAGA-VXGBXAGGSA-N	-1	0	296.367	0.979	20	30		CCEDRM
C=CCN(C(=O)NCC(=O)[N-]OCC)[C@H](C)COC	ZINC000854218220	613605796	/nfs/dbraw/zinc/60/57/96/613605796.db2.gz	RWBNWXONLFFKFY-SNVBAGLBSA-N	-1	0	273.333	0.287	20	30		CCEDRM
C=CCN(CC(=O)[O-])C(=O)COc1cccnc1	ZINC000864135081	613641937	/nfs/dbraw/zinc/64/19/37/613641937.db2.gz	IHLBBGVPDFWODJ-UHFFFAOYSA-N	-1	0	250.254	0.560	20	30		CCEDRM
C=CCN(CC(=O)[O-])C(=O)NCc1cccc(OC)n1	ZINC000908910295	613642372	/nfs/dbraw/zinc/64/23/72/613642372.db2.gz	UOKUPEDDBXUVFR-UHFFFAOYSA-N	-1	0	279.296	0.872	20	30		CCEDRM
C=CCN(CC(=O)[O-])C(=O)Cn1ccc(C)cc1=O	ZINC000864136209	613642640	/nfs/dbraw/zinc/64/26/40/613642640.db2.gz	UJJJODIYURHYCQ-UHFFFAOYSA-N	-1	0	264.281	0.256	20	30		CCEDRM
C=CCN(CC(=O)[O-])C(=O)N[C@H]1CCc2c[nH]nc2C1	ZINC000908994564	613643176	/nfs/dbraw/zinc/64/31/76/613643176.db2.gz	SLNHYCNNDPFWBH-JTQLQIEISA-N	-1	0	278.312	0.549	20	30		CCEDRM
C=CCN(CC(=O)OCC)C(=O)CC1CN(C(=O)[O-])C1	ZINC000833787899	613644491	/nfs/dbraw/zinc/64/44/91/613644491.db2.gz	HFDHQPBLRCAORZ-UHFFFAOYSA-N	-1	0	284.312	0.564	20	30		CCEDRM
CC#CCOC(=O)CN(C[C@@H]1CCCO1)C(=O)[O-]	ZINC000823521863	613645316	/nfs/dbraw/zinc/64/53/16/613645316.db2.gz	LCSOOBHHMPJRHA-JTQLQIEISA-N	-1	0	255.270	0.712	20	30		CCEDRM
CC#CCS(=O)(=O)[N-]C(=O)/C=C/[C@H]1CCCO1	ZINC000820896114	613645571	/nfs/dbraw/zinc/64/55/71/613645571.db2.gz	PQRAEBCMAFRAKT-VQCYPWCPSA-N	-1	0	257.311	0.191	20	30		CCEDRM
CC#CCS(=O)(=O)[N-]C(=O)CCc1csc(C)n1	ZINC000810778083	613645869	/nfs/dbraw/zinc/64/58/69/613645869.db2.gz	OFKTXKBLKRFCKC-UHFFFAOYSA-N	-1	0	286.378	0.853	20	30		CCEDRM
CC#CCS(=O)(=O)[N-]C(=O)COC1(C)CCC1	ZINC000810775616	613645902	/nfs/dbraw/zinc/64/59/02/613645902.db2.gz	NADKPNPXVZZLIA-UHFFFAOYSA-N	-1	0	259.327	0.415	20	30		CCEDRM
CC#CCS(=O)(=O)[N-]C(=O)Cc1cccc(COC)c1	ZINC000810772841	613646216	/nfs/dbraw/zinc/64/62/16/613646216.db2.gz	HEQMZNQMDLWXEU-UHFFFAOYSA-N	-1	0	295.360	0.845	20	30		CCEDRM
CC#CCS(=O)(=O)[N-]C(=O)[C@@H]1CSCCS1	ZINC000798202862	613646842	/nfs/dbraw/zinc/64/68/42/613646842.db2.gz	RTPXXTACMXLMGO-QMMMGPOBSA-N	-1	0	279.408	0.304	20	30		CCEDRM
CC#CCS(=O)(=O)[N-]C(=O)[C@H](OCC)C(C)C	ZINC000860720637	613647081	/nfs/dbraw/zinc/64/70/81/613647081.db2.gz	IWUHTHFVFJHTEL-SNVBAGLBSA-N	-1	0	261.343	0.517	20	30		CCEDRM
CC#CCS(=O)(=O)[N-]C(=O)[C@H]1CCC(=O)[C@@H](C)C1	ZINC000810771215	613647143	/nfs/dbraw/zinc/64/71/43/613647143.db2.gz	ICDPRAWGJNHJDX-UWVGGRQHSA-N	-1	0	271.338	0.461	20	30		CCEDRM
CC#CCS(=O)(=O)[N-]C(=O)[C@H]1C[C@]1(C)Br	ZINC000860720993	613647150	/nfs/dbraw/zinc/64/71/50/613647150.db2.gz	UOQXOCRALSNZSY-APPZFPTMSA-N	-1	0	294.170	0.629	20	30		CCEDRM
C=CCN(CCc1ccco1)C(=O)NCC(=O)[N-]OC	ZINC000927213156	613650397	/nfs/dbraw/zinc/65/03/97/613650397.db2.gz	OXTGQPMKENRAGR-UHFFFAOYSA-N	-1	0	281.312	0.697	20	30		CCEDRM
C=CCN1C(=O)c2ccc(C(=O)OCC(=O)[O-])cc2C1=O	ZINC000819713643	613652476	/nfs/dbraw/zinc/65/24/76/613652476.db2.gz	ZPGHZJBJLMDTJE-UHFFFAOYSA-N	-1	0	289.243	0.710	20	30		CCEDRM
CC(=O)N(C)C1CCN(C(=O)[C@@](C)(C#N)CC(=O)[O-])CC1	ZINC000819726238	613685074	/nfs/dbraw/zinc/68/50/74/613685074.db2.gz	DARZTOJOTWSMDX-CQSZACIVSA-N	-1	0	295.339	0.460	20	30		CCEDRM
C=CC[N@H+]1CCC[C@@H]([N-]C(=O)C(F)(F)F)[C@@H]1C(=O)[O-]	ZINC000852734388	613703279	/nfs/dbraw/zinc/70/32/79/613703279.db2.gz	APBRVEJIJNWDFT-HTQZYQBOSA-N	-1	0	280.246	0.769	20	30		CCEDRM
C=CCNC(=O)NC[C@@H]1[C@@H](C)OC(C)(C)N1C(=O)[O-]	ZINC000823511229	613852461	/nfs/dbraw/zinc/85/24/61/613852461.db2.gz	RJPJPBOCJFQMKJ-RKDXNWHRSA-N	-1	0	271.317	0.975	20	30		CCEDRM
C=CCNC(=O)C(C#N)=C([O-])c1cncc(-n2ccnn2)c1	ZINC000802042167	613854888	/nfs/dbraw/zinc/85/48/88/613854888.db2.gz	BHHGNQBQLMEKKP-GFCCVEGCSA-N	-1	0	296.290	0.287	20	30		CCEDRM
C=CCNC(=O)C(C#N)=C([O-])c1cccc(C#N)n1	ZINC000810533126	613854984	/nfs/dbraw/zinc/85/49/84/613854984.db2.gz	YOFLHDDIKPPWBF-SNVBAGLBSA-N	-1	0	254.249	0.578	20	30		CCEDRM
C=CCNc1ncc(C(=O)N[C@H](COC)C(=O)[O-])s1	ZINC000833375728	613877190	/nfs/dbraw/zinc/87/71/90/613877190.db2.gz	JYRDEHIWRFNXTD-SSDOTTSWSA-N	-1	0	285.325	0.570	20	30		CCEDRM
C=CCOCC(=O)NC1(C(=O)[O-])CCSCC1	ZINC000833375813	613879285	/nfs/dbraw/zinc/87/92/85/613879285.db2.gz	LQFDZSYPVIHFJK-UHFFFAOYSA-N	-1	0	259.327	0.656	20	30		CCEDRM
C=CCOCCCNS(=O)(=O)N=[S@@](C)(=O)CC	ZINC000867515018	613880328	/nfs/dbraw/zinc/88/03/28/613880328.db2.gz	GPQCWFVPHBZJGH-INIZCTEOSA-N	-1	0	284.403	0.531	20	30		CCEDRM
C=CCOCCNC(=O)Nc1ccn(CC(=O)[O-])n1	ZINC000833375534	613880990	/nfs/dbraw/zinc/88/09/90/613880990.db2.gz	DFQYXDJARAFPFB-UHFFFAOYSA-N	-1	0	268.273	0.292	20	30		CCEDRM
C=CCOCC[N-]S(=O)(=O)N=S1(=O)CCCC1	ZINC000867071623	613881039	/nfs/dbraw/zinc/88/10/39/613881039.db2.gz	HTTFLKBVLLLNMA-UHFFFAOYSA-N	-1	0	282.387	0.285	20	30		CCEDRM
C=CCOC[C@@H](NC(=O)NCCC(F)(F)F)C(=O)[O-]	ZINC000908773199	613881687	/nfs/dbraw/zinc/88/16/87/613881687.db2.gz	DGZVIQRVRXILTC-SSDOTTSWSA-N	-1	0	284.234	0.894	20	30		CCEDRM
C=CCOC[C@@H](NC(=O)[C@@H](C)c1ccncc1)C(=O)[O-]	ZINC000909771501	613881813	/nfs/dbraw/zinc/88/18/13/613881813.db2.gz	NQYWDMXTZXJNQU-CMPLNLGQSA-N	-1	0	278.308	0.957	20	30		CCEDRM
C=CCOC[C@H](NC(=O)Cc1ccc(O)c(F)c1)C(=O)[O-]	ZINC000909770740	613882296	/nfs/dbraw/zinc/88/22/96/613882296.db2.gz	KKNAHWOKLDYXJW-NSHDSACASA-N	-1	0	297.282	0.846	20	30		CCEDRM
C=CCOC[C@H](NC(=O)C[C@@H](C)n1cccn1)C(=O)[O-]	ZINC000909765257	613882312	/nfs/dbraw/zinc/88/23/12/613882312.db2.gz	AXFKNQCGUSMTFR-MNOVXSKESA-N	-1	0	281.312	0.606	20	30		CCEDRM
C=CCOC[C@H](NC(=O)[C@@H](OC)C(C)C)C(=O)[O-]	ZINC000909771311	613882466	/nfs/dbraw/zinc/88/24/66/613882466.db2.gz	MQQZSTYUSNPMKD-UWVGGRQHSA-N	-1	0	259.302	0.429	20	30		CCEDRM
C=CCOC[C@H](NC(=O)[C@H]1CCn2cncc2C1)C(=O)[O-]	ZINC000909767133	613882694	/nfs/dbraw/zinc/88/26/94/613882694.db2.gz	MNVACEHMRSVDNM-JQWIXIFHSA-N	-1	0	293.323	0.218	20	30		CCEDRM
C=CCO[N-]C(=O)[C@@H]1CC[C@@H](C(F)(F)F)NC1=O	ZINC000837043818	613884416	/nfs/dbraw/zinc/88/44/16/613884416.db2.gz	TUIQIGVKSDIEQV-RQJHMYQMSA-N	-1	0	266.219	0.677	20	30		CCEDRM
C=CCS(=O)(=O)[N-]C(=O)C[C@@H](C)n1cccn1	ZINC000820399360	613886088	/nfs/dbraw/zinc/88/60/88/613886088.db2.gz	OTMUBEIGIXKSQZ-SECBINFHSA-N	-1	0	257.315	0.466	20	30		CCEDRM
C=CCS(=O)(=O)[N-]C(=O)CCc1ccnc(C)n1	ZINC000842747080	613886098	/nfs/dbraw/zinc/88/60/98/613886098.db2.gz	HOUJGTQHIIRPOW-UHFFFAOYSA-N	-1	0	269.326	0.350	20	30		CCEDRM
C=CCS(=O)(=O)[N-]C(=O)Cn1ncc2ccccc21	ZINC000132801719	613886245	/nfs/dbraw/zinc/88/62/45/613886245.db2.gz	HODWXULSXPMXLR-UHFFFAOYSA-N	-1	0	279.321	0.668	20	30		CCEDRM
C=CCS(=O)(=O)[N-]C(=O)c1ccc2c(c1)nnn2C	ZINC000132801487	613886364	/nfs/dbraw/zinc/88/63/64/613886364.db2.gz	MBAXKKGBSUKLFW-UHFFFAOYSA-N	-1	0	280.309	0.214	20	30		CCEDRM
CC(C)NC(=O)C(C#N)=C([O-])c1cncc(-n2ccnn2)c1	ZINC000802041661	613930338	/nfs/dbraw/zinc/93/03/38/613930338.db2.gz	ATDLUUIIZXYXPL-LBPRGKRZSA-N	-1	0	298.306	0.509	20	30		CCEDRM
CC(C)NC(=O)C(C#N)=C([O-])c1cccc(C#N)n1	ZINC000810532332	613930436	/nfs/dbraw/zinc/93/04/36/613930436.db2.gz	CPVFKFFVUFDCCD-JTQLQIEISA-N	-1	0	256.265	0.800	20	30		CCEDRM
CC(C)(C)[C@@H]1CC(N=NC2=NCC(=O)N2)CCO1	ZINC000872394163	614025960	/nfs/dbraw/zinc/02/59/60/614025960.db2.gz	QCDLBYWBZAWPQO-VIFPVBQESA-N	-1	0	252.318	0.643	20	30		CCEDRM
CC(C)(CC(=O)[O-])CC(=O)n1ncc(C#N)c1N	ZINC000833456534	614078942	/nfs/dbraw/zinc/07/89/42/614078942.db2.gz	ZMZXHGSAJRMYHF-UHFFFAOYSA-N	-1	0	250.258	0.868	20	30		CCEDRM
CC(C)COC(=O)Cn1cc(C(=O)[O-])cc(C#N)c1=O	ZINC000833489245	614158140	/nfs/dbraw/zinc/15/81/40/614158140.db2.gz	GKNQYFPBPFDZRN-UHFFFAOYSA-N	-1	0	278.264	0.617	20	30		CCEDRM
CC(C)COCCC(=O)N[C@@H]1CCCN(O)C1=O	ZINC000816757100	614162817	/nfs/dbraw/zinc/16/28/17/614162817.db2.gz	LTGIGXCQPCKREO-SNVBAGLBSA-N	-1	0	258.318	0.546	20	30		CCEDRM
CC(C)([N-]C(=O)C(F)(F)F)C(=O)OCC1(C#N)COC1	ZINC000811048211	614164316	/nfs/dbraw/zinc/16/43/16/614164316.db2.gz	CNTIBHCSXPUHKT-UHFFFAOYSA-N	-1	0	294.229	0.527	20	30		CCEDRM
CC(C)[C@@](C)(C#N)NC(=O)Cn1cc(C(=O)[O-])nn1	ZINC000826676433	614180903	/nfs/dbraw/zinc/18/09/03/614180903.db2.gz	ISUGJHRZOPSZHV-LLVKDONJSA-N	-1	0	265.273	0.031	20	30		CCEDRM
CC(C)C[C@H](C#N)NC(=O)[C@H]1CN(C(=O)[O-])CCO1	ZINC000824170150	614210137	/nfs/dbraw/zinc/21/01/37/614210137.db2.gz	GIMFNGYAIQEZBE-NXEZZACHSA-N	-1	0	269.301	0.420	20	30		CCEDRM
CC(C)(C#N)CNC(=O)N1CCC([C@H](O)C(=O)[O-])CC1	ZINC000833412526	614285483	/nfs/dbraw/zinc/28/54/83/614285483.db2.gz	AQYJRIGAFPVZNH-JTQLQIEISA-N	-1	0	283.328	0.403	20	30		CCEDRM
CC(C)(C#N)CCn1c(N)nc(-c2nnn[n-]2)c1C#N	ZINC000819892177	614285840	/nfs/dbraw/zinc/28/58/40/614285840.db2.gz	XUBRLTTWARXALW-UHFFFAOYSA-N	-1	0	271.288	0.457	20	30		CCEDRM
CC(C)N(CC(N)=O)Cc1cccc(C(=O)[O-])c1C#N	ZINC000833496416	614289795	/nfs/dbraw/zinc/28/97/95/614289795.db2.gz	COGRXMHBNWTKQX-UHFFFAOYSA-N	-1	0	275.308	0.952	20	30		CCEDRM
CC(C)c1nocc1C(=O)[N-]S(=O)(=O)CCC#N	ZINC000860752027	614342991	/nfs/dbraw/zinc/34/29/91/614342991.db2.gz	JYSGAVRCOOESJR-UHFFFAOYSA-N	-1	0	271.298	0.771	20	30		CCEDRM
CCCCOC(=O)Cn1cnc(-c2nnn[n-]2)c1C#N	ZINC000825291542	614441749	/nfs/dbraw/zinc/44/17/49/614441749.db2.gz	SRFJBARIRNPABC-UHFFFAOYSA-N	-1	0	275.272	0.278	20	30		CCEDRM
CCCC1N=NC(=S)N1N=Cc1cc(C(=O)[O-])nn1C	ZINC000901239074	614498689	/nfs/dbraw/zinc/49/86/89/614498689.db2.gz	LFDXBYJKALMXEV-UHFFFAOYSA-N	-1	0	294.340	0.833	20	30		CCEDRM
CC1(C)CCC[C@@H](Cn2c(=O)[n-]cc(C#N)c2=O)O1	ZINC000882179621	614530627	/nfs/dbraw/zinc/53/06/27/614530627.db2.gz	WGXKVELAUVIVON-JTQLQIEISA-N	-1	0	263.297	0.756	20	30		CCEDRM
C[C@@](C#N)(CC(=O)[O-])C(=O)NCCN1CCOC(C)(C)C1	ZINC000820211776	614656251	/nfs/dbraw/zinc/65/62/51/614656251.db2.gz	HFAZCZDOCHSNDS-AWEZNQCLSA-N	-1	0	297.355	0.218	20	30		CCEDRM
CCCNC(=O)CCNC(=O)[C@](C)(C#N)CC(=O)[O-]	ZINC000820321130	614847310	/nfs/dbraw/zinc/84/73/10/614847310.db2.gz	MKOQEGZRRDDZDX-LBPRGKRZSA-N	-1	0	269.301	0.023	20	30		CCEDRM
CCCO[N-]C(=O)C(=O)Nc1cc(C#N)ccc1OC	ZINC000834350692	614942368	/nfs/dbraw/zinc/94/23/68/614942368.db2.gz	KNGFMTVAUNMGPP-UHFFFAOYSA-N	-1	0	277.280	0.963	20	30		CCEDRM
CCCO[N-]C(=O)CS(=O)(=O)Cc1ccc(C#N)cc1	ZINC000844083019	614944208	/nfs/dbraw/zinc/94/42/08/614944208.db2.gz	QCRZQTHJWHPFKP-UHFFFAOYSA-N	-1	0	296.348	0.931	20	30		CCEDRM
CC1=C(C(=O)[O-])C[C@H](CN2CCO[C@H](C#N)C2)O1	ZINC000833581491	614960568	/nfs/dbraw/zinc/96/05/68/614960568.db2.gz	XJPNWXQXMAOASF-NXEZZACHSA-N	-1	0	252.270	0.358	20	30		CCEDRM
CCCS(=O)(=O)[N-]C(=O)Cc1ccc(OCC#N)cc1	ZINC000123097229	614965730	/nfs/dbraw/zinc/96/57/30/614965730.db2.gz	AACRNAVVXYGLFG-UHFFFAOYSA-N	-1	0	296.348	0.987	20	30		CCEDRM
CC1=CC(=O)C(=C([O-])C=Cc2cnccn2)C(=O)O1	ZINC000809152276	614968496	/nfs/dbraw/zinc/96/84/96/614968496.db2.gz	PCQUDYXVEWGUPO-QAVQXKDTSA-N	-1	0	258.233	0.705	20	30		CCEDRM
CC1=CC(=O)C(=C([O-])C=Cc2csnn2)C(=O)O1	ZINC000915981072	614968746	/nfs/dbraw/zinc/96/87/46/614968746.db2.gz	IZMNKTZYDMNQMO-ZMWSMAPVSA-N	-1	0	264.262	0.766	20	30		CCEDRM
CCCSCC(=O)N1CCN(C(=O)[O-])C[C@@H]1C#N	ZINC000826948560	614969376	/nfs/dbraw/zinc/96/93/76/614969376.db2.gz	FDQVKNBKPVPOEJ-VIFPVBQESA-N	-1	0	271.342	0.844	20	30		CCEDRM
CCC[C@@H](NC(=O)[O-])C(=O)N1CCN(CC#N)CC1	ZINC000826750820	614991193	/nfs/dbraw/zinc/99/11/93/614991193.db2.gz	KTKWRZHIBUOAEQ-SNVBAGLBSA-N	-1	0	268.317	0.090	20	30		CCEDRM
CCN(CCC#N)C(=O)CN1CCCC[C@@H]1C(=O)[O-]	ZINC000820344011	615021179	/nfs/dbraw/zinc/02/11/79/615021179.db2.gz	KLPHQELHEABERV-LLVKDONJSA-N	-1	0	267.329	0.688	20	30		CCEDRM
CCC[C@H](C#N)NC(=O)CO[C@@H]1CCCN(C(=O)[O-])C1	ZINC000826705609	615033249	/nfs/dbraw/zinc/03/32/49/615033249.db2.gz	DYNGTZPRFYCFGH-GHMZBOCLSA-N	-1	0	283.328	0.954	20	30		CCEDRM
CCN(C[C@@H](C)C#N)C(=O)CN1CCCC[C@H]1C(=O)[O-]	ZINC000820332749	615061500	/nfs/dbraw/zinc/06/15/00/615061500.db2.gz	HTKKYKOJXCXHQO-RYUDHWBXSA-N	-1	0	281.356	0.934	20	30		CCEDRM
CCN(C[C@@H](C)C#N)C(=O)CN(C)[C@H]1CCN(C(=O)[O-])C1	ZINC000827020508	615061583	/nfs/dbraw/zinc/06/15/83/615061583.db2.gz	VYCSTEIZSLHJPD-RYUDHWBXSA-N	-1	0	296.371	0.679	20	30		CCEDRM
CCN(C[C@H](C)C#N)C(=O)COC(=O)C1(NC(=O)[O-])CC1	ZINC000827020467	615064751	/nfs/dbraw/zinc/06/47/51/615064751.db2.gz	UZFUNHHZCCJOAD-SECBINFHSA-N	-1	0	297.311	0.338	20	30		CCEDRM
CCN(Cc1cn(C)nn1)C(=O)[C@](C)(C#N)CC(=O)[O-]	ZINC000820348113	615068793	/nfs/dbraw/zinc/06/87/93/615068793.db2.gz	LSMSBUBXBPWQRG-LBPRGKRZSA-N	-1	0	279.300	0.168	20	30		CCEDRM
CCOC(=O)C1CCN(C(=O)[C@](C)(C#N)CC(=O)[O-])CC1	ZINC000820364665	615167394	/nfs/dbraw/zinc/16/73/94/615167394.db2.gz	QGQUHRBZGONMNQ-AWEZNQCLSA-N	-1	0	296.323	0.793	20	30		CCEDRM
CCOC(=O)c1ccc(C([O-])=C(C#N)C(=O)NC)cc1	ZINC000810534447	615181109	/nfs/dbraw/zinc/18/11/09/615181109.db2.gz	RAZXSQWIPCSOER-LLVKDONJSA-N	-1	0	274.276	0.932	20	30		CCEDRM
CCOC(=O)c1ccc(CN[C@@H]2CCCN(O)C2=O)[nH]1	ZINC000895157473	615182302	/nfs/dbraw/zinc/18/23/02/615182302.db2.gz	QISVKHASVVOXHA-SNVBAGLBSA-N	-1	0	281.312	0.661	20	30		CCEDRM
CCOC(C)(C)C(=O)[N-]S(=O)(=O)CC1(C#N)CC1	ZINC000870282086	615197152	/nfs/dbraw/zinc/19/71/52/615197152.db2.gz	XRUFRQSYXACTME-UHFFFAOYSA-N	-1	0	274.342	0.551	20	30		CCEDRM
CCOCCO[C@@H](C)C(=O)N1CCN(C(=O)[O-])C[C@@H]1C#N	ZINC000827405227	615291802	/nfs/dbraw/zinc/29/18/02/615291802.db2.gz	MFBPNYHEQRTCSM-QWRGUYRKSA-N	-1	0	299.327	0.142	20	30		CCEDRM
CCOCCS(=O)(=O)N1CCC[C@H](C#CC(=O)[O-])C1	ZINC000899930001	615295869	/nfs/dbraw/zinc/29/58/69/615295869.db2.gz	NRTCJPVZHHABDT-LLVKDONJSA-N	-1	0	289.353	0.153	20	30		CCEDRM
CCOCCS(=O)(=O)[N-]C(=O)c1ccc(C#N)cc1C	ZINC000129819086	615297083	/nfs/dbraw/zinc/29/70/83/615297083.db2.gz	ZUUVYYGEFOOFDJ-UHFFFAOYSA-N	-1	0	296.348	0.963	20	30		CCEDRM
CCOCCS(=O)(=O)[N-]C(=O)c1ncc(C#N)cc1C	ZINC000815944798	615297117	/nfs/dbraw/zinc/29/71/17/615297117.db2.gz	LJEMPHYWYYEGHE-UHFFFAOYSA-N	-1	0	297.336	0.358	20	30		CCEDRM
CCO[N-]C(=O)CNC(=O)N1Cc2ccc(C#N)cc2C1	ZINC000847390002	615362294	/nfs/dbraw/zinc/36/22/94/615362294.db2.gz	VMCHFIYEGICYPS-UHFFFAOYSA-N	-1	0	288.307	0.651	20	30		CCEDRM
CCO[N-]C(=O)CNC(=O)Nc1cccc(OCC#N)c1	ZINC000844508385	615367763	/nfs/dbraw/zinc/36/77/63/615367763.db2.gz	XJLHPLJJMMARLF-UHFFFAOYSA-N	-1	0	292.295	0.778	20	30		CCEDRM
CCO[N-]C(=O)CNC(=O)c1ncc(C#N)cc1Cl	ZINC000846493538	615373296	/nfs/dbraw/zinc/37/32/96/615373296.db2.gz	AJFNFYGRLANONT-UHFFFAOYSA-N	-1	0	282.687	0.404	20	30		CCEDRM
CCO[N-]C(=O)CNc1cc(C#N)ccc1[N+](=O)[O-]	ZINC000845718475	615376441	/nfs/dbraw/zinc/37/64/41/615376441.db2.gz	RHQCTRMKJNHJJT-UHFFFAOYSA-N	-1	0	264.241	0.946	20	30		CCEDRM
CCO[N-]C(=O)CNc1ccc(C#N)cc1[N+](=O)[O-]	ZINC000845713931	615376613	/nfs/dbraw/zinc/37/66/13/615376613.db2.gz	PSNZYHPZNMXZIK-UHFFFAOYSA-N	-1	0	264.241	0.946	20	30		CCEDRM
CC[C@@H](C)OCC(=O)[N-]S(=O)(=O)c1cncc(C#N)c1	ZINC000813979962	615463876	/nfs/dbraw/zinc/46/38/76/615463876.db2.gz	LGNUMDFMWIITMV-SECBINFHSA-N	-1	0	297.336	0.573	20	30		CCEDRM
CCOc1ccc(C=Nn2c(=O)[n-][nH]c2=O)cc1OC	ZINC000814233646	615509844	/nfs/dbraw/zinc/50/98/44/615509844.db2.gz	AHQBOPIZPUEGDQ-UHFFFAOYSA-N	-1	0	278.268	0.979	20	30		CCEDRM
CC[C@@H](NN=Cc1c2c(nn1C)CCSC2)C(=O)[O-]	ZINC000884471183	615536382	/nfs/dbraw/zinc/53/63/82/615536382.db2.gz	NOLHYSYMQXQPBA-SECBINFHSA-N	-1	0	282.369	0.996	20	30		CCEDRM
CC[C@@H]1CN(C(=O)[C@@]2(C#N)CCCOC2)C[C@@]1(F)C(=O)[O-]	ZINC000923102574	615560293	/nfs/dbraw/zinc/56/02/93/615560293.db2.gz	PINYYVGQZUOFRD-HONMWMINSA-N	-1	0	298.314	0.968	20	30		CCEDRM
CC[C@@](C)(C#N)C(=O)NC[C@@]1(C(=O)[O-])CCCOC1	ZINC000923100396	615587932	/nfs/dbraw/zinc/58/79/32/615587932.db2.gz	LADQQBAHKAZHAN-STQMWFEESA-N	-1	0	268.313	0.924	20	30		CCEDRM
CCc1c(C([O-])=C(C#N)C(=O)NCCOC)ccn1C	ZINC000810530086	615608082	/nfs/dbraw/zinc/60/80/82/615608082.db2.gz	VFKHAFGOEKQHEQ-LLVKDONJSA-N	-1	0	277.324	0.673	20	30		CCEDRM
CC[C@H](C)NC(=O)[C@H](C)NC(=O)[C@](C)(C#N)CC(=O)[O-]	ZINC000820266604	615678680	/nfs/dbraw/zinc/67/86/80/615678680.db2.gz	NFGXIQJJOZOKMU-RVBZMBCESA-N	-1	0	283.328	0.410	20	30		CCEDRM
CC[C@H](NN=Cc1c2c(nn1C)CCOC2)C(=O)[O-]	ZINC000901245252	615819814	/nfs/dbraw/zinc/81/98/14/615819814.db2.gz	ASOGEVUBCZCFDX-VIFPVBQESA-N	-1	0	266.301	0.280	20	30		CCEDRM
CCc1noc(C)c1C(=O)N[C@H]1CCCN(O)C1=O	ZINC000848138699	615831983	/nfs/dbraw/zinc/83/19/83/615831983.db2.gz	SNRIIRLVVCTBJG-VIFPVBQESA-N	-1	0	267.285	0.655	20	30		CCEDRM
CCc1nocc1C([O-])=C(C#N)C(=O)NCCOC	ZINC000860468403	615862780	/nfs/dbraw/zinc/86/27/80/615862780.db2.gz	JERBGHNZYDVFFN-QMMMGPOBSA-N	-1	0	265.269	0.322	20	30		CCEDRM
CCc1oc(C(=O)[O-])cc1S(=O)(=O)NC[C@@H](C)C#N	ZINC000833682316	615871075	/nfs/dbraw/zinc/87/10/75/615871075.db2.gz	IDYXJPBLJBKKKK-ZETCQYMHSA-N	-1	0	286.309	0.978	20	30		CCEDRM
CN(C(=O)c1ccc(C#N)nc1)[C@@H]1CCN(C(=O)[O-])C1	ZINC000827932108	615900912	/nfs/dbraw/zinc/90/09/12/615900912.db2.gz	KUEXJOGNMOINDH-LLVKDONJSA-N	-1	0	274.280	0.778	20	30		CCEDRM
CN(C)C(=O)CN(C)[C@@H](C(=O)[O-])c1ccc(C#N)cc1	ZINC000830551567	615960742	/nfs/dbraw/zinc/96/07/42/615960742.db2.gz	CCCIDJWEFUAAIA-CYBMUJFWSA-N	-1	0	275.308	0.704	20	30		CCEDRM
CN(CCCNC(=O)c1cc(C#N)cn1C)C(=O)[O-]	ZINC000828301610	616075332	/nfs/dbraw/zinc/07/53/32/616075332.db2.gz	AMRYANLHJVHVDC-UHFFFAOYSA-N	-1	0	264.285	0.626	20	30		CCEDRM
CN(C[C@H]1CCCO1)C(=O)[C@](C)(C#N)CC(=O)[O-]	ZINC000820574177	616154380	/nfs/dbraw/zinc/15/43/80/616154380.db2.gz	FDRNQIBRGBSCRT-SKDRFNHKSA-N	-1	0	254.286	0.628	20	30		CCEDRM
CN1CCN(N=Cc2ccc([O-])c([N+](=O)[O-])c2)CC1	ZINC000916248137	616246172	/nfs/dbraw/zinc/24/61/72/616246172.db2.gz	NSOPCBGYMHLZPL-UHFFFAOYSA-N	-1	0	264.285	0.882	20	30		CCEDRM
COC1(C(=O)N[C@H]2CCC[C@H]2C#N)CCN(C(=O)[O-])CC1	ZINC000828855546	616428940	/nfs/dbraw/zinc/42/89/40/616428940.db2.gz	DADVDWFFJAPMNR-QWRGUYRKSA-N	-1	0	295.339	0.954	20	30		CCEDRM
COC(=O)CCCNC(=O)[C@](C)(C#N)CC(=O)[O-]	ZINC000820660332	616533079	/nfs/dbraw/zinc/53/30/79/616533079.db2.gz	CSGKPAZYFUSYTC-NSHDSACASA-N	-1	0	256.258	0.060	20	30		CCEDRM
COC(=O)CN(CC#N)C(=O)[C@@H]1CCC[C@@H](C(=O)[O-])C1	ZINC000831164976	616587299	/nfs/dbraw/zinc/58/72/99/616587299.db2.gz	XBDKCLREIKBQEM-NXEZZACHSA-N	-1	0	282.296	0.403	20	30		CCEDRM
COC(=O)[C@H](C)[C@H](C)S(=O)(=O)[N-]C(=O)[C@H](C)CC#N	ZINC000850958490	616588326	/nfs/dbraw/zinc/58/83/26/616588326.db2.gz	QZBQOLBQNVTULI-HLTSFMKQSA-N	-1	0	290.341	0.180	20	30		CCEDRM
COCCC1N=NC(=S)N1N=Cc1c[nH]c(C(=O)[O-])c1	ZINC000814860311	616702005	/nfs/dbraw/zinc/70/20/05/616702005.db2.gz	OQFLIPLMDSMPSU-UHFFFAOYSA-N	-1	0	295.324	0.664	20	30		CCEDRM
COC(=O)c1cc(C([O-])=C(C#N)C(=O)NC2CC2)c(C)o1	ZINC000850758449	616834701	/nfs/dbraw/zinc/83/47/01/616834701.db2.gz	FYHSARXMIDNSPY-SNVBAGLBSA-N	-1	0	290.275	0.976	20	30		CCEDRM
COC[C@](C)(O)C(=O)O[C@@H](C(=O)[O-])c1ccc(C#N)cc1	ZINC000831638060	616839168	/nfs/dbraw/zinc/83/91/68/616839168.db2.gz	QFTIFZSVSWQZLK-RISCZKNCSA-N	-1	0	293.275	0.625	20	30		CCEDRM
COC(=O)c1cc(NCC(=O)NCC#N)ccc1C(=O)[O-]	ZINC000831322524	616868582	/nfs/dbraw/zinc/86/85/82/616868582.db2.gz	HWNGIZPBHLSHBK-UHFFFAOYSA-N	-1	0	291.263	0.223	20	30		CCEDRM
COC(=O)[C@@H](CC1CC1)NS(=O)(=O)CC(C)(C)C#N	ZINC000916309222	616957382	/nfs/dbraw/zinc/95/73/82/616957382.db2.gz	UKLWMGGVSVXDKK-SNVBAGLBSA-N	-1	0	288.369	0.797	20	30		CCEDRM
COC[C@@](C)(NC(=O)c1ccc(C#N)s1)C(=O)[O-]	ZINC000831617352	617022814	/nfs/dbraw/zinc/02/28/14/617022814.db2.gz	HTYDAPCIPYSVRI-LLVKDONJSA-N	-1	0	268.294	0.839	20	30		CCEDRM
CNS(=O)(=O)c1cc(NC(=O)C#CC2CC2)ccc1[O-]	ZINC000854385645	617036749	/nfs/dbraw/zinc/03/67/49/617036749.db2.gz	BHJAYKUCVNCSHF-UHFFFAOYSA-N	-1	0	294.332	0.652	20	30		CCEDRM
CON=C(C(=O)[N-]OCC(F)(F)F)c1csc(N)n1	ZINC000821031995	617102914	/nfs/dbraw/zinc/10/29/14/617102914.db2.gz	PFKOQDAGXLGINA-UHFFFAOYSA-N	-1	0	298.246	0.686	20	30		CCEDRM
CO[N-]C(=O)CNC(=O)N(C)Cc1ccc(C#N)cc1	ZINC000927206284	617111136	/nfs/dbraw/zinc/11/11/36/617111136.db2.gz	WSJRIIRMHJIHSM-UHFFFAOYSA-N	-1	0	276.296	0.377	20	30		CCEDRM
CO[C@](C)(C(=O)[N-]S(=O)(=O)CC(C)(C)C#N)C1CC1	ZINC000813081303	617124906	/nfs/dbraw/zinc/12/49/06/617124906.db2.gz	MOOUXTGNPVUEAC-LBPRGKRZSA-N	-1	0	288.369	0.797	20	30		CCEDRM
CO[C@@H](C(=O)[N-]S(=O)(=O)CC1(C#N)CC1)C1CC1	ZINC000793204794	617126709	/nfs/dbraw/zinc/12/67/09/617126709.db2.gz	LMPJERZDHBJSHR-SECBINFHSA-N	-1	0	272.326	0.161	20	30		CCEDRM
COc1cc(C(=O)[N-]S(=O)(=O)CCC#N)ccc1F	ZINC000835411110	617162954	/nfs/dbraw/zinc/16/29/54/617162954.db2.gz	MTICAVDFYAIBSP-UHFFFAOYSA-N	-1	0	286.284	0.808	20	30		CCEDRM
COc1ccccc1CC(=O)[N-]S(=O)(=O)CCCC#N	ZINC000181271962	625369839	/nfs/dbraw/zinc/36/98/39/625369839.db2.gz	JJRFYORAEDADBZ-UHFFFAOYSA-N	-1	0	296.348	0.987	20	30		CCEDRM
C=C[C@@](C)(CCOC)C(=O)[N-]S(=O)(=O)CCCC#N	ZINC000187625793	622842352	/nfs/dbraw/zinc/84/23/52/622842352.db2.gz	TUHFBWFOESEVBE-LBPRGKRZSA-N	-1	0	288.369	0.965	20	30		CCEDRM
C=C(Br)CNC(=O)COCC(=O)[O-]	ZINC000168196402	623018040	/nfs/dbraw/zinc/01/80/40/623018040.db2.gz	GZRKOONWKYAQSU-UHFFFAOYSA-N	-1	0	252.064	0.112	20	30		CCEDRM
N#Cc1c(F)cccc1S(=O)(=O)NC/C=C\C(=O)[O-]	ZINC000311865484	623805677	/nfs/dbraw/zinc/80/56/77/623805677.db2.gz	RHPXIXMDGKUYNW-DJWKRKHSSA-N	-1	0	284.268	0.616	20	30		CCEDRM
N#CCCN1CCN(C(=O)[C@@]2(C(=O)[O-])CC=CCC2)CC1	ZINC000902487985	634397394	/nfs/dbraw/zinc/39/73/94/634397394.db2.gz	GFUBXGPUBVTPIF-OAHLLOKOSA-N	-1	0	291.351	0.855	20	30		CCEDRM
C=CCN(CC(=O)[O-])C(=O)CCNC(=O)c1cccs1	ZINC000092461860	624851565	/nfs/dbraw/zinc/85/15/65/624851565.db2.gz	GIRMQVACPUBWLO-UHFFFAOYSA-N	-1	0	296.348	0.967	20	30		CCEDRM
CCc1nc(C#N)cc(N2CCOC[C@@H]2C(=O)[O-])n1	ZINC000308394461	624869249	/nfs/dbraw/zinc/86/92/49/624869249.db2.gz	CMRGTPPGLWHNFM-SECBINFHSA-N	-1	0	262.269	0.200	20	30		CCEDRM
C=C[C@@H]1OCC[C@H]1CNS(=O)(=O)C1(C(=O)[O-])CCC1	ZINC000905038610	634780996	/nfs/dbraw/zinc/78/09/96/634780996.db2.gz	OFLFFSAIQMJFAN-UWVGGRQHSA-N	-1	0	289.353	0.504	20	30		CCEDRM
O=C(CC[N-]C(=O)C(F)(F)F)COC(=O)C#CC1CC1	ZINC000869535419	632400504	/nfs/dbraw/zinc/40/05/04/632400504.db2.gz	FYUBPQCXFOOVPM-UHFFFAOYSA-N	-1	0	291.225	0.581	20	30		CCEDRM
Cc1oc(C#N)cc1C(=O)[N-]S(=O)(=O)c1cnn(C)c1	ZINC000797941160	632642815	/nfs/dbraw/zinc/64/28/15/632642815.db2.gz	XDCVHESXRCEASE-UHFFFAOYSA-N	-1	0	294.292	0.312	20	30		CCEDRM
COc1cc(OC)cc(C(=O)[N-]S(C)(=O)=O)c1	ZINC000042279941	633897776	/nfs/dbraw/zinc/89/77/76/633897776.db2.gz	LNLFCCDHBMTOKB-UHFFFAOYSA-N	-1	0	259.283	0.968	20	30		CCEDRM
O=C([O-])C#C[C@@H]1CCCN(S(=O)(=O)CC2(F)CC2)C1	ZINC000899926378	633923207	/nfs/dbraw/zinc/92/32/07/633923207.db2.gz	LGHWAAZUSWRWTH-JTQLQIEISA-N	-1	0	289.328	0.618	20	30		CCEDRM
Cn1nc(C(=O)[O-])cc1C=NNC[C@H]1CCSC1	ZINC000901244319	634214105	/nfs/dbraw/zinc/21/41/05/634214105.db2.gz	RLTBXLGRQJIGAZ-MRVPVSSYSA-N	-1	0	268.342	0.795	20	30		CCEDRM
C[C@@H](C(=O)[O-])N(C(=O)Cc1ccc(C#N)nc1)C1CC1	ZINC000901640323	634265894	/nfs/dbraw/zinc/26/58/94/634265894.db2.gz	QSGGCDCKFNDEGS-VIFPVBQESA-N	-1	0	273.292	0.960	20	30		CCEDRM
C=CC[C@H]1CCN(C(=O)c2cccn(CC(=O)[O-])c2=O)C1	ZINC000902142106	634320165	/nfs/dbraw/zinc/32/01/65/634320165.db2.gz	CKFTXBYILPWLEO-NSHDSACASA-N	-1	0	290.319	0.971	20	30		CCEDRM
C[C@@H]1[C@@H](C(=O)[O-])CCN1S(=O)(=O)CC(C)(C)C#N	ZINC000905994744	634945234	/nfs/dbraw/zinc/94/52/34/634945234.db2.gz	OJIPZMSLTHGFTC-BDAKNGLRSA-N	-1	0	274.342	0.661	20	30		CCEDRM
C#CCSCCNC(=O)N[C@@H](CCF)C(=O)[O-]	ZINC000909052791	635504416	/nfs/dbraw/zinc/50/44/16/635504416.db2.gz	UFDLTVALSHCOFF-QMMMGPOBSA-N	-1	0	262.306	0.465	20	30		CCEDRM
C#CCOCCC(=O)[N-]S(=O)(=O)CC(C)(C)C	ZINC000166491698	636928683	/nfs/dbraw/zinc/92/86/83/636928683.db2.gz	OCQIJMBVQDTWEJ-UHFFFAOYSA-N	-1	0	261.343	0.518	20	30		CCEDRM
CNC(=O)C(C#N)=C([O-])c1ccc(OCCOC)cc1	ZINC000171797093	637145728	/nfs/dbraw/zinc/14/57/28/637145728.db2.gz	FGQHDNVRPXAMBH-LBPRGKRZSA-N	-1	0	276.292	0.780	20	30		CCEDRM
C#CCSCCNC(=O)N(C)C[C@H](C)C(=O)[O-]	ZINC000231958987	637235442	/nfs/dbraw/zinc/23/54/42/637235442.db2.gz	VPVRXSAADOIOGV-VIFPVBQESA-N	-1	0	258.343	0.715	20	30		CCEDRM
C#CCSCCNC(=O)N[C@@H](CCOC)C(=O)[O-]	ZINC000231959471	637235503	/nfs/dbraw/zinc/23/55/03/637235503.db2.gz	HBTNRSDMGKQANB-VIFPVBQESA-N	-1	0	274.342	0.142	20	30		CCEDRM
C#CCSCCNC(=O)N(C)C[C@@H](C)C(=O)[O-]	ZINC000231958982	637236638	/nfs/dbraw/zinc/23/66/38/637236638.db2.gz	VPVRXSAADOIOGV-SECBINFHSA-N	-1	0	258.343	0.715	20	30		CCEDRM
C#CCN1CCN(C(=O)c2cc([N+](=O)[O-])ccc2[O-])CC1	ZINC000179495900	638227413	/nfs/dbraw/zinc/22/74/13/638227413.db2.gz	PYIKBOVWJIFWNW-UHFFFAOYSA-N	-1	0	289.291	0.691	20	30		CCEDRM
CS(=O)(=O)[N-]C(=O)c1cc2ccccc2[nH]c1=O	ZINC000069539300	638372126	/nfs/dbraw/zinc/37/21/26/638372126.db2.gz	CPPDPJFDGIDTKI-UHFFFAOYSA-N	-1	0	266.278	0.792	20	30		CCEDRM
C[C@H](CC(=O)[O-])NS(=O)(=O)c1cccc(F)c1C#N	ZINC000070393963	638482326	/nfs/dbraw/zinc/48/23/26/638482326.db2.gz	XLGRZMBJNIUKSB-SSDOTTSWSA-N	-1	0	286.284	0.839	20	30		CCEDRM
N#C[C@]1(C(=O)N[C@@H](CC(=O)[O-])C(F)(F)F)CCCOC1	ZINC000923112671	640024727	/nfs/dbraw/zinc/02/47/27/640024727.db2.gz	MVYNTZBEXPUKCR-OIBJUYFYSA-N	-1	0	294.229	0.829	20	30		CCEDRM
Cn1nncc1C([O-])=C(C#N)C(=O)NC1CCCCC1	ZINC000798816294	640529619	/nfs/dbraw/zinc/52/96/19/640529619.db2.gz	JFIXMQUUVUSTDK-JTQLQIEISA-N	-1	0	275.312	0.586	20	30		CCEDRM
C[C@@H]1C[C@@H](C)[C@H](C(=O)[N-]S(=O)(=O)CC(C)(C)C#N)O1	ZINC000800403500	640611538	/nfs/dbraw/zinc/61/15/38/640611538.db2.gz	KUTNTDSNMTVMMY-OPRDCNLKSA-N	-1	0	288.369	0.796	20	30		CCEDRM
Cc1[nH]c(C=NNCC(C)(C)CO)cc1C(=O)[O-]	ZINC000800817257	640621503	/nfs/dbraw/zinc/62/15/03/640621503.db2.gz	JUHVZZFCEMQTOH-UHFFFAOYSA-N	-1	0	253.302	0.963	20	30		CCEDRM
Cc1[nH]c(C=NNC(=S)N(C)C)cc1C(=O)[O-]	ZINC000800812850	640621665	/nfs/dbraw/zinc/62/16/65/640621665.db2.gz	MOBFMZYRUWPYSN-UHFFFAOYSA-N	-1	0	254.315	0.791	20	30		CCEDRM
CC#CCS(=O)(=O)[N-]C(=O)c1nnc2ccccc2n1	ZINC000810776440	640949412	/nfs/dbraw/zinc/94/94/12/640949412.db2.gz	SZEAZGXLYCAWAM-UHFFFAOYSA-N	-1	0	290.304	0.108	20	30		CCEDRM
C=CCCCCOC(=O)Cn1[n-]cc2c(=O)ncnc1-2	ZINC000811009851	640959470	/nfs/dbraw/zinc/95/94/70/640959470.db2.gz	CRQYAOWYLRJRKM-UHFFFAOYSA-N	-1	0	276.296	0.971	20	30		CCEDRM
N#Cc1cncc(S(=O)(=O)[N-]C(=O)C2(CCF)CC2)c1	ZINC000813985901	641052109	/nfs/dbraw/zinc/05/21/09/641052109.db2.gz	URFQNANHBOXKIL-UHFFFAOYSA-N	-1	0	297.311	0.898	20	30		CCEDRM
N#Cc1cncc(S(=O)(=O)[N-]C(=O)C2CC2)c1	ZINC000813983791	641052257	/nfs/dbraw/zinc/05/22/57/641052257.db2.gz	HEUXNHOZNJMRDE-UHFFFAOYSA-N	-1	0	251.267	0.168	20	30		CCEDRM
Cc1nn(C)c(Cl)c1C=Nn1c(=O)[n-][nH]c1=O	ZINC000814231115	641061275	/nfs/dbraw/zinc/06/12/75/641061275.db2.gz	MFGFQEYLSWFBEJ-UHFFFAOYSA-N	-1	0	256.653	0.267	20	30		CCEDRM
C[C@H]1C(N=NC2=NC(=O)C(=O)N2)CC[C@H](C(=O)[O-])C1(C)C	ZINC000814890653	641080473	/nfs/dbraw/zinc/08/04/73/641080473.db2.gz	ZUCKUESMERDTTJ-NKWVEPMBSA-N	-1	0	294.311	0.101	20	30		CCEDRM
NC(=O)CNN=C1CC(C(=O)[O-])(c2ccccc2)C1	ZINC000814904119	641082290	/nfs/dbraw/zinc/08/22/90/641082290.db2.gz	SDEAVJQQBFSQIE-UHFFFAOYSA-N	-1	0	261.281	0.234	20	30		CCEDRM
COc1ccn2c(c1)ncc2C([O-])=C(C#N)C(=O)NC1CC1	ZINC000819943005	641441253	/nfs/dbraw/zinc/44/12/53/641441253.db2.gz	APTBWWDETILBTR-NSHDSACASA-N	-1	0	298.302	0.944	20	30		CCEDRM
O=C(N[C@@H]1CCN(O)C1=O)c1cccc(F)c1[O-]	ZINC000820120451	641458768	/nfs/dbraw/zinc/45/87/68/641458768.db2.gz	OINMXLQSNYORCI-MRVPVSSYSA-N	-1	0	254.217	0.251	20	30		CCEDRM
COc1ccc(CC(=O)[N-]S(=O)(=O)CCC#N)cc1	ZINC000821583960	641611638	/nfs/dbraw/zinc/61/16/38/641611638.db2.gz	MTPMXVGCGDUSQI-UHFFFAOYSA-N	-1	0	282.321	0.597	20	30		CCEDRM
C[C@H]1CC[C@@H](C(=O)Nc2nc(C#N)c(-c3nn[nH]n3)[n-]2)C1	ZINC000824911026	641853240	/nfs/dbraw/zinc/85/32/40/641853240.db2.gz	ZXSSYHDAKQCCGH-NKWVEPMBSA-N	-1	0	286.299	0.836	20	30		CCEDRM
N#CCCS(=O)(=O)[N-]C(=O)c1ccc2c(c1)CCO2	ZINC000835411154	642660623	/nfs/dbraw/zinc/66/06/23/642660623.db2.gz	DTGUFTAWODBLHD-UHFFFAOYSA-N	-1	0	280.305	0.595	20	30		CCEDRM
Cc1ccc(C#N)cc1S(=O)(=O)NC[C@@H](F)C(=O)[O-]	ZINC000837296005	642736199	/nfs/dbraw/zinc/73/61/99/642736199.db2.gz	HXUNBQQMMQXWJT-SECBINFHSA-N	-1	0	286.284	0.568	20	30		CCEDRM
C[C@H](O)CN(C)N=Cc1ccc([O-])c([N+](=O)[O-])c1	ZINC000841655299	642827442	/nfs/dbraw/zinc/82/74/42/642827442.db2.gz	WWRBNYRDDXJBET-QMMMGPOBSA-N	-1	0	253.258	0.947	20	30		CCEDRM
C[C@@H](O)CN(C)N=Cc1cc([N+](=O)[O-])ccc1[O-]	ZINC000841651563	642827605	/nfs/dbraw/zinc/82/76/05/642827605.db2.gz	HILCWSGSRGXMFC-MRVPVSSYSA-N	-1	0	253.258	0.947	20	30		CCEDRM
Cc1nnc([S-])n(N=Cc2ccnn2CC(C)C)c1=O	ZINC000842522994	642907309	/nfs/dbraw/zinc/90/73/09/642907309.db2.gz	YOCDNKYFPCMFIA-UHFFFAOYSA-N	-1	0	292.368	0.970	20	30		CCEDRM
N#CCCCS(=O)(=O)[N-]C(=O)c1cn(C2CCC2)nn1	ZINC000842749627	642944255	/nfs/dbraw/zinc/94/42/55/642944255.db2.gz	FCUFGIURFHUTFQ-UHFFFAOYSA-N	-1	0	297.340	0.366	20	30		CCEDRM
N#CCCCS(=O)(=O)[N-]C(=O)C1(C(F)F)CC1	ZINC000842749920	642944325	/nfs/dbraw/zinc/94/43/25/642944325.db2.gz	JTEORKLUZINGII-UHFFFAOYSA-N	-1	0	266.269	0.781	20	30		CCEDRM
N#Cc1cncc(S(=O)(=O)[N-]C(=O)[C@H]2CCC(=O)C2)c1	ZINC000842807264	642957203	/nfs/dbraw/zinc/95/72/03/642957203.db2.gz	UQVAEXYQMFYOFT-VIFPVBQESA-N	-1	0	293.304	0.127	20	30		CCEDRM
N#CCC1(CS(=O)(=O)N[C@H](CC2CC2)C(=O)[O-])CC1	ZINC000844806297	643249499	/nfs/dbraw/zinc/24/94/99/643249499.db2.gz	VUALLDAMOACPRF-SNVBAGLBSA-N	-1	0	286.353	0.853	20	30		CCEDRM
C[C@H]1CCCc2ncc(C(=O)[N-]S(=O)(=O)CCC#N)n21	ZINC000845559489	643328630	/nfs/dbraw/zinc/32/86/30/643328630.db2.gz	DJRXBRRZDVGNAF-VIFPVBQESA-N	-1	0	296.352	0.754	20	30		CCEDRM
N#Cc1ccc([O-])c(NC(=O)[C@@H]2CCc3nnnn3CC2)c1	ZINC000845888164	643359255	/nfs/dbraw/zinc/35/92/55/643359255.db2.gz	SZMLFGVDZMEHFP-SNVBAGLBSA-N	-1	0	298.306	0.842	20	30		CCEDRM
C#CCCCC(=O)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cn1	ZINC000847894269	643563769	/nfs/dbraw/zinc/56/37/69/643563769.db2.gz	JLXWPUUIACSSTP-UHFFFAOYSA-N	-1	0	297.292	0.598	20	30		CCEDRM
C[C@@H](CC#N)C(=O)[N-]S(=O)(=O)c1cccnc1	ZINC000850736943	643811515	/nfs/dbraw/zinc/81/15/15/643811515.db2.gz	LOTCFYRRUXYFFA-QMMMGPOBSA-N	-1	0	253.283	0.436	20	30		CCEDRM
C[C@H](CC(=O)[N-]S(=O)(=O)CCC#N)[C@@H]1CCCO1	ZINC000851016389	643826480	/nfs/dbraw/zinc/82/64/80/643826480.db2.gz	SVIJHKOBEKIRLE-ZJUUUORDSA-N	-1	0	274.342	0.551	20	30		CCEDRM
N#CC1(C(=O)[N-]OCCN2CCCC2=O)CCCC1	ZINC000856037474	644381602	/nfs/dbraw/zinc/38/16/02/644381602.db2.gz	KSMYMDUDFQGCFU-UHFFFAOYSA-N	-1	0	265.313	0.741	20	30		CCEDRM
C[C@H]1C(=O)N(N=Cc2ccc([N+](=O)[O-])c([O-])c2)C(=O)N1C	ZINC000857216998	644482673	/nfs/dbraw/zinc/48/26/73/644482673.db2.gz	IGDDINNOMJDCCK-ZETCQYMHSA-N	-1	0	292.251	0.917	20	30		CCEDRM
N#CC1(CS(=O)(=O)[N-]C(=O)c2cnn(C3CC3)c2)CC1	ZINC000860649193	644818626	/nfs/dbraw/zinc/81/86/26/644818626.db2.gz	HINRNPTURXBZHU-UHFFFAOYSA-N	-1	0	294.336	0.581	20	30		CCEDRM
O=C(N[C@H]1CCCN(O)C1=O)c1ncc2ccccn21	ZINC000868562027	645786102	/nfs/dbraw/zinc/78/61/02/645786102.db2.gz	BOAZTBDZEJSRRC-JTQLQIEISA-N	-1	0	274.280	0.444	20	30		CCEDRM
O=C(N[C@@H]1CCCN(O)C1=O)C1(c2ccccn2)CC1	ZINC000868562055	645787251	/nfs/dbraw/zinc/78/72/51/645787251.db2.gz	CAVAIUMXOPAGCE-SNVBAGLBSA-N	-1	0	275.308	0.610	20	30		CCEDRM
COc1cncc(C([O-])=C(C#N)C(=O)NC2CC2)c1C	ZINC000870141632	645964362	/nfs/dbraw/zinc/96/43/62/645964362.db2.gz	BDVPZRQNRZIPJZ-SNVBAGLBSA-N	-1	0	273.292	1.000	20	30		CCEDRM
CC#CCS(=O)(=O)[N-]C(=O)c1cnc(F)cc1C	ZINC000870332077	645983095	/nfs/dbraw/zinc/98/30/95/645983095.db2.gz	RKQUTAAKPHDFMY-UHFFFAOYSA-N	-1	0	270.285	0.612	20	30		CCEDRM
Cc1cccc(C#N)c1S(=O)(=O)N1CC[C@@H](C(=O)[O-])C1	ZINC000871636416	646161007	/nfs/dbraw/zinc/16/10/07/646161007.db2.gz	KWLIBKHXUFTKAK-LLVKDONJSA-N	-1	0	294.332	0.962	20	30		CCEDRM
C[C@H](C#N)OCCn1cc(C[N-]C(=O)C(F)(F)F)nn1	ZINC000881323092	647302628	/nfs/dbraw/zinc/30/26/28/647302628.db2.gz	AHJIZKUHKRKTOY-SSDOTTSWSA-N	-1	0	291.233	0.385	20	30		CCEDRM
O=C(Nc1ccc(F)cn1)N[C@H]1CCCN(O)C1=O	ZINC000828012281	648306581	/nfs/dbraw/zinc/30/65/81/648306581.db2.gz	IYKJMSQOZHRZHB-QMMMGPOBSA-N	-1	0	268.248	0.722	20	30		CCEDRM
CNC(=O)C(C#N)=C([O-])c1cn(CCC(C)C)nn1	ZINC000158768602	649310290	/nfs/dbraw/zinc/31/02/90/649310290.db2.gz	RUTCVQLWNDNSEE-VIFPVBQESA-N	-1	0	263.301	0.393	20	30		CCEDRM
C=CCN(CC(=O)[O-])C(=O)NC[C@]1(C)CCCO1	ZINC000094807790	649748649	/nfs/dbraw/zinc/74/86/49/649748649.db2.gz	OJWRPKVESKWGAT-LBPRGKRZSA-N	-1	0	256.302	0.838	20	30		CCEDRM
C=C(CCC(=O)OC)C(=O)N(CC(=O)[O-])C(C)C	ZINC001588444538	958360909	/nfs/dbraw/zinc/36/09/09/958360909.db2.gz	HWPFKDYIGNQMFZ-UHFFFAOYSA-N	-1	0	257.286	0.817	20	30		CCEDRM
C#C[C@@H](Oc1nc(Cl)[n-]c(=O)n1)C(=O)OCC	ZINC001230240115	805588460	/nfs/dbraw/zinc/58/84/60/805588460.db2.gz	GVIUHRGQYUYVQB-RXMQYKEDSA-N	-1	0	257.633	0.174	20	30		CCEDRM
C=CCOCc1nn(C)c2c1CN(C(=O)C(=O)[O-])CC2	ZINC001143419396	791437545	/nfs/dbraw/zinc/43/75/45/791437545.db2.gz	KZJDQIZBOKQJFZ-UHFFFAOYSA-N	-1	0	279.296	0.092	20	30		CCEDRM
C#C[C@@H](C)N(C)c1nnc(-c2noc(=O)[nH]2)n1CC=C	ZINC001121579511	799058667	/nfs/dbraw/zinc/05/86/67/799058667.db2.gz	REIIVFAALLLKHY-MRVPVSSYSA-N	-1	0	274.284	0.265	20	30		CCEDRM
C#C[C@H]1COCCN1C(=O)NC[C@@H](CC)C(=O)[O-]	ZINC001121836852	799075273	/nfs/dbraw/zinc/07/52/73/799075273.db2.gz	YJPYIAQJWTXGRQ-ZJUUUORDSA-N	-1	0	254.286	0.141	20	30		CCEDRM
CC#CCCNC(=O)N(CCOC)CCC(=O)[O-]	ZINC001121901842	799088477	/nfs/dbraw/zinc/08/84/77/799088477.db2.gz	UUVWGRLYCBECFA-UHFFFAOYSA-N	-1	0	256.302	0.533	20	30		CCEDRM
N#CC(C(=O)NC1CC1)=C([O-])c1cc2n(n1)CCCO2	ZINC001122416285	799229001	/nfs/dbraw/zinc/22/90/01/799229001.db2.gz	VUKHBOCSVJKHEB-VIFPVBQESA-N	-1	0	274.280	0.267	20	30		CCEDRM
Cn1nncc1C([O-])=C(C#N)c1nc(N)c2ccccc2n1	ZINC001122416305	799229066	/nfs/dbraw/zinc/22/90/66/799229066.db2.gz	WFULGALAVIBWSC-SECBINFHSA-N	-1	0	293.290	0.831	20	30		CCEDRM
C=CCNC(=O)C(C#N)=C([O-])c1cn2c(n1)COCC2	ZINC001122427204	799231289	/nfs/dbraw/zinc/23/12/89/799231289.db2.gz	BFXNUWHYPULARN-VIFPVBQESA-N	-1	0	274.280	0.038	20	30		CCEDRM
Cn1nc(C([O-])=C(C#N)C(=O)NC2CC2)c2c1CCCC2	ZINC001122451774	799237827	/nfs/dbraw/zinc/23/78/27/799237827.db2.gz	CXCZHRKJHFOOOB-NSHDSACASA-N	-1	0	286.335	0.900	20	30		CCEDRM
COCCn1cc(C([O-])=C(C#N)C(=O)N2CCCC2)cn1	ZINC001122516321	799254349	/nfs/dbraw/zinc/25/43/49/799254349.db2.gz	XCZBUMJLALHAOT-GFCCVEGCSA-N	-1	0	290.323	0.474	20	30		CCEDRM
Cn1ncc(Cl)c1C([O-])=C(C#N)C(=O)NC1CC1	ZINC001122513073	799254640	/nfs/dbraw/zinc/25/46/40/799254640.db2.gz	PEUBPUQSUMQHJF-SSDOTTSWSA-N	-1	0	266.688	0.675	20	30		CCEDRM
CC(C)(C#N)C(=O)NC[C@H](C(=O)[O-])[C@@H]1CCOC1	ZINC001123297340	799385871	/nfs/dbraw/zinc/38/58/71/799385871.db2.gz	NVCSZAUCFCLSNP-BDAKNGLRSA-N	-1	0	254.286	0.390	20	30		CCEDRM
N#CC1(NC(=O)CCCn2c(=O)[n-][nH]c2=O)CCCCC1	ZINC001143315789	800229300	/nfs/dbraw/zinc/22/93/00/800229300.db2.gz	HZNUDNMANQNGBO-UHFFFAOYSA-N	-1	0	293.327	0.812	20	30		CCEDRM
N#Cc1cc(NC(=O)C2=CNN3C=CNC=C23)c([O-])cc1F	ZINC001149457507	800267129	/nfs/dbraw/zinc/26/71/29/800267129.db2.gz	PBHPAQJLXXSNNM-UHFFFAOYSA-N	-1	0	299.265	0.961	20	30		CCEDRM
C=CC[C@H](NC(=O)NCCOCC(F)F)C(=O)[O-]	ZINC000236452467	800273044	/nfs/dbraw/zinc/27/30/44/800273044.db2.gz	YEVGBTBSBPRNSY-ZETCQYMHSA-N	-1	0	266.244	0.597	20	30		CCEDRM
C=CCOc1cc(C)nc(N[C@@H]2CO[N-]C2=O)n1	ZINC001156695025	801214251	/nfs/dbraw/zinc/21/42/51/801214251.db2.gz	LIMBTSMINKALJH-MRVPVSSYSA-N	-1	0	250.258	0.192	20	30		CCEDRM
C=C(C)C(=O)NCCCNc1nccnc1CC(=O)[O-]	ZINC001156825710	801243760	/nfs/dbraw/zinc/24/37/60/801243760.db2.gz	CSAYWEDERUWGRU-UHFFFAOYSA-N	-1	0	278.312	0.598	20	30		CCEDRM
Cc1ccc(CNC(=O)c2n[nH]c(=O)[n-]2)cc1C#N	ZINC001161785049	802224893	/nfs/dbraw/zinc/22/48/93/802224893.db2.gz	QALRHOWIDFFLMQ-UHFFFAOYSA-N	-1	0	257.253	0.620	20	30		CCEDRM
Cc1noc([N-]S(=O)(=O)c2cnn(C)c2)c1C#N	ZINC001259820014	808775037	/nfs/dbraw/zinc/77/50/37/808775037.db2.gz	QQCZRWDTNQEWDE-UHFFFAOYSA-N	-1	0	267.270	0.389	20	30		CCEDRM
Cn1cc([N-]S(=O)(=O)CCC(F)(F)F)c(C#N)n1	ZINC001259866680	808788187	/nfs/dbraw/zinc/78/81/87/808788187.db2.gz	LJGOLYQLMBPXLZ-UHFFFAOYSA-N	-1	0	282.247	0.986	20	30		CCEDRM
Cc1cccnc1CCCNc1[n-]c(=O)n(C)c(=O)c1C#N	ZINC001163294823	802529228	/nfs/dbraw/zinc/52/92/28/802529228.db2.gz	QTZUXMDUWLFWAO-UHFFFAOYSA-N	-1	0	299.334	0.693	20	30		CCEDRM
N#Cc1cnc(N[C@H]2SC(=O)[N-]C2=O)c([N+](=O)[O-])c1	ZINC001163661684	802583424	/nfs/dbraw/zinc/58/34/24/802583424.db2.gz	BLCJTLYKLMWEFY-QMMMGPOBSA-N	-1	0	279.237	0.582	20	30		CCEDRM
C=CCNC(=O)c1ccc(N[C@H]2SC(=O)[N-]C2=O)nc1	ZINC001163666713	802587621	/nfs/dbraw/zinc/58/76/21/802587621.db2.gz	UXUKGUOLVYUGMZ-NSHDSACASA-N	-1	0	292.320	0.718	20	30		CCEDRM
C=CCCCC(=O)N[C@@H]1CCN(Cc2n[nH]c(=O)[n-]2)C1	ZINC001267747961	811737344	/nfs/dbraw/zinc/73/73/44/811737344.db2.gz	IWICCRACIXXLLC-SNVBAGLBSA-N	-1	0	279.344	0.557	20	30		CCEDRM
CO[N-]C(=O)CNC(=O)Nc1cc(C)c(C#N)cn1	ZINC001208085498	803488288	/nfs/dbraw/zinc/48/82/88/803488288.db2.gz	NFEAGQXNBUDJBD-UHFFFAOYSA-N	-1	0	263.257	0.061	20	30		CCEDRM
CO[N-]C(=O)CNS(=O)(=O)c1ccc(CCC#N)cc1	ZINC001213913229	803706605	/nfs/dbraw/zinc/70/66/05/803706605.db2.gz	YASIJBIPNSKLCN-UHFFFAOYSA-N	-1	0	297.336	0.099	20	30		CCEDRM
C=C(Cl)CNS(=O)(=O)[C@H]1CCC[C@@H]1C(=O)[O-]	ZINC001465107070	804085397	/nfs/dbraw/zinc/08/53/97/804085397.db2.gz	LIBDPZBEKGYVIX-YUMQZZPRSA-N	-1	0	267.734	0.912	20	30		CCEDRM
CCO[N-]C(=O)CNC(=O)Nc1sccc1C#N	ZINC001219354577	804282329	/nfs/dbraw/zinc/28/23/29/804282329.db2.gz	NBKGOCDCLOYFTI-UHFFFAOYSA-N	-1	0	268.298	0.809	20	30		CCEDRM
C=CCC[C@@H](NC(=O)NCc1cc(C)nn1C)C(=O)[O-]	ZINC000315930010	804659719	/nfs/dbraw/zinc/65/97/19/804659719.db2.gz	QTFZEDCRSQZYDL-LLVKDONJSA-N	-1	0	280.328	0.947	20	30		CCEDRM
C=CCC[C@@H](NS(=O)(=O)CCC(=O)OCC)C(=O)[O-]	ZINC000316445772	804700082	/nfs/dbraw/zinc/70/00/82/804700082.db2.gz	KYLPIYIYISALAM-SECBINFHSA-N	-1	0	293.341	0.278	20	30		CCEDRM
N#Cc1ccc(COC(=O)[C@H](O)CCC(=O)[O-])nc1	ZINC001222978150	804944381	/nfs/dbraw/zinc/94/43/81/804944381.db2.gz	BYOPXRZVRAMSGH-SNVBAGLBSA-N	-1	0	264.237	0.222	20	30		CCEDRM
CC[C@@H]1OC(C)=C(OCCCS(=O)(=O)[O-])C1=O	ZINC001224899133	805091675	/nfs/dbraw/zinc/09/16/75/805091675.db2.gz	ODAPONAAPFHCJM-QMMMGPOBSA-N	-1	0	264.299	0.890	20	30		CCEDRM
CCOC(=O)c1cnc(=O)[nH]c1O[C@@H]1C=CC(=O)C1	ZINC001225901929	805174927	/nfs/dbraw/zinc/17/49/27/805174927.db2.gz	YQBSDRRESLPBQH-MRVPVSSYSA-N	-1	0	264.237	0.635	20	30		CCEDRM
Cc1nc(O[C@H]2CCN(CC#N)C2)c(F)c(=O)[n-]1	ZINC001226422914	805229368	/nfs/dbraw/zinc/22/93/68/805229368.db2.gz	CMDSXTSYLSQDKV-QMMMGPOBSA-N	-1	0	252.249	0.606	20	30		CCEDRM
COC(=O)c1cc(=O)c(O[C@@H]2CCN(CC#N)C2)c[n-]1	ZINC001227785569	805390105	/nfs/dbraw/zinc/39/01/05/805390105.db2.gz	IMSJCONQHBJAPI-SECBINFHSA-N	-1	0	277.280	0.138	20	30		CCEDRM
Cc1cc(OC(=O)[C@H](O)CC(=O)[O-])c(C)cc1C#N	ZINC001228147005	805419212	/nfs/dbraw/zinc/41/92/12/805419212.db2.gz	IORXQUIDGAKJRF-SNVBAGLBSA-N	-1	0	263.249	0.916	20	30		CCEDRM
COC(=O)c1nnc(OC2=C(C)O[C@@H](C)C2=O)[n-]1	ZINC001228311194	805434511	/nfs/dbraw/zinc/43/45/11/805434511.db2.gz	KFMDGKIJZYSDCM-BYPYZUCNSA-N	-1	0	253.214	0.189	20	30		CCEDRM
COc1cnc(-c2cnn(CC(=O)[O-])c2)c(C#N)c1	ZINC001242182069	806993621	/nfs/dbraw/zinc/99/36/21/806993621.db2.gz	PVGLHVDBMMLQFS-UHFFFAOYSA-N	-1	0	258.237	0.910	20	30		CCEDRM
C=C(C)C(=O)OCc1cn(C2(C(=O)[O-])CC2)nn1	ZINC001254095927	808181151	/nfs/dbraw/zinc/18/11/51/808181151.db2.gz	KFSUGJKRPVRUBB-UHFFFAOYSA-N	-1	0	251.242	0.471	20	30		CCEDRM
N#Cc1ccccc1S(=O)(=O)NCc1cc(=O)[n-]o1	ZINC001258312619	808670420	/nfs/dbraw/zinc/67/04/20/808670420.db2.gz	FIWCBMZCRITPRZ-UHFFFAOYSA-N	-1	0	279.277	0.730	20	30		CCEDRM
Cc1ncc(C#N)cc1[N-]S(=O)(=O)c1cn(C)cn1	ZINC001258994067	808709779	/nfs/dbraw/zinc/70/97/79/808709779.db2.gz	OJGZFXSXMZPYJT-UHFFFAOYSA-N	-1	0	277.309	0.796	20	30		CCEDRM
CCn1cc(S(=O)(=O)[N-]c2cnccc2C#N)cn1	ZINC001259832510	808782805	/nfs/dbraw/zinc/78/28/05/808782805.db2.gz	HMQUZEQZWMHRFK-UHFFFAOYSA-N	-1	0	277.309	0.970	20	30		CCEDRM
N#CCCCS(=O)(=O)NCC1(CC(=O)[O-])CC1	ZINC001261490809	808995449	/nfs/dbraw/zinc/99/54/49/808995449.db2.gz	DZSKSYCMZAWKNS-UHFFFAOYSA-N	-1	0	260.315	0.464	20	30		CCEDRM
C=C[C@H](C)O[N-]C(=O)C(=O)Nc1cc(C)n(CCC#N)n1	ZINC001261515033	809005432	/nfs/dbraw/zinc/00/54/32/809005432.db2.gz	UYPNWAUBJGNBAZ-JTQLQIEISA-N	-1	0	291.311	0.666	20	30		CCEDRM
CC(=NNc1nnc(C)c(=O)[n-]1)c1cncnc1C	ZINC001261552366	809018207	/nfs/dbraw/zinc/01/82/07/809018207.db2.gz	PZGLSZLWJCBOMM-UHFFFAOYSA-N	-1	0	259.273	0.820	20	30		CCEDRM
N#Cc1ccc(S(=O)(=O)N(CC(=O)[O-])C2CC2)cn1	ZINC000159685639	815265183	/nfs/dbraw/zinc/26/51/83/815265183.db2.gz	ADYNJRAYMWZMME-UHFFFAOYSA-N	-1	0	281.293	0.191	20	30		CCEDRM
N#CCCN1CCN(C(=O)[C@@H](C(=O)[O-])C2CC2)CC1	ZINC001262159839	809211381	/nfs/dbraw/zinc/21/13/81/809211381.db2.gz	LHKQIGIHSBWXGR-NSHDSACASA-N	-1	0	265.313	0.155	20	30		CCEDRM
C#CCCCNC(=O)C(=O)N1CCC[C@@](CC)(C(=O)[O-])C1	ZINC001262543562	809333489	/nfs/dbraw/zinc/33/34/89/809333489.db2.gz	DWJYLGYCNQYMMV-OAHLLOKOSA-N	-1	0	294.351	0.619	20	30		CCEDRM
C[C@@H]1CCC[C@H](Nc2[n-]c(=O)n(C)c(=O)c2C#N)C1	ZINC001262678145	809392087	/nfs/dbraw/zinc/39/20/87/809392087.db2.gz	QATNWMQXBLZMNS-BDAKNGLRSA-N	-1	0	262.313	0.936	20	30		CCEDRM
C=C[C@H](C)O[N-]C(=O)C(=O)Nc1cn(C)nc1C(F)F	ZINC001262720030	809404142	/nfs/dbraw/zinc/40/41/42/809404142.db2.gz	PNOKHGFFHCRXNP-LURJTMIESA-N	-1	0	288.254	0.919	20	30		CCEDRM
C=CCn1c(Cc2nn[nH]n2)nnc1N1CCC[C@H]1CC	ZINC001262953250	809424821	/nfs/dbraw/zinc/42/48/21/809424821.db2.gz	NIZZMNVDPNTPPD-SNVBAGLBSA-N	-1	0	288.359	0.947	20	30		CCEDRM
Cn1ccnc1C(=O)C(C#N)=C([O-])c1ccc(C(N)=O)nc1	ZINC001263378925	809515501	/nfs/dbraw/zinc/51/55/01/809515501.db2.gz	WRORKALMODOTRH-SECBINFHSA-N	-1	0	297.274	0.119	20	30		CCEDRM
C=C(C)CC[N@H+]1C[C@@H](NC(=O)c2[nH]nc(C)c2[O-])[C@@H](O)C1	ZINC001083409756	813959371	/nfs/dbraw/zinc/95/93/71/813959371.db2.gz	HNWCBPVIRPBCKX-MNOVXSKESA-N	-1	0	294.355	0.165	20	30		CCEDRM
Cc1n[nH]c(C(=O)NC[C@H](NCC#N)C(C)C)c1[O-]	ZINC001271830415	814600739	/nfs/dbraw/zinc/60/07/39/814600739.db2.gz	QPVMKENZBZWCKN-VIFPVBQESA-N	-1	0	265.317	0.291	20	30		CCEDRM
CN1CC[C@]2(CCN(C(=O)c3ccc(C#N)cc3[O-])C2)C1=O	ZINC001271838422	814605512	/nfs/dbraw/zinc/60/55/12/814605512.db2.gz	NCHHHFQIDQQYHN-MRXNPFEDSA-N	-1	0	299.330	0.958	20	30		CCEDRM
C=CCOC[C@H](CS(=O)(=O)[O-])Oc1ncc[nH]1	ZINC001228297473	814666057	/nfs/dbraw/zinc/66/60/57/814666057.db2.gz	LSVCUJBZSOCAKO-MRVPVSSYSA-N	-1	0	262.287	0.248	20	30		CCEDRM
C#CCCCCNC(=O)C1(C(=O)[O-])CCOCC1	ZINC000689304918	814740537	/nfs/dbraw/zinc/74/05/37/814740537.db2.gz	WVRRKWYUKUIJTH-UHFFFAOYSA-N	-1	0	253.298	0.788	20	30		CCEDRM
CNC(=O)C(C#N)=C([O-])c1cccc(N2CCCC2=O)c1	ZINC000133458234	818681586	/nfs/dbraw/zinc/68/15/86/818681586.db2.gz	DJBDVESHWRUXQO-GFCCVEGCSA-N	-1	0	285.303	0.882	20	30		CCEDRM
COCCCCS(=O)(=O)[N-]C(=O)CCCCC#N	ZINC001118379105	820439315	/nfs/dbraw/zinc/43/93/15/820439315.db2.gz	JVFVRHYIQFPVGQ-UHFFFAOYSA-N	-1	0	276.358	0.943	20	30		CCEDRM
C#CC[C@H](NC(=O)[C@@H](C)Cc1c(C)nn(C)c1C)C(=O)[O-]	ZINC000820352858	821441516	/nfs/dbraw/zinc/44/15/16/821441516.db2.gz	NDYBACRAZMFDDY-ZANVPECISA-N	-1	0	291.351	0.808	20	30		CCEDRM
C=CCC[N@H+]1CC[C@H]1CN(C)C(=O)c1n[nH]c(=O)[n-]c1=O	ZINC001085699676	821909596	/nfs/dbraw/zinc/90/95/96/821909596.db2.gz	UCTPXIBWKBXTCM-VIFPVBQESA-N	-1	0	293.327	0.005	20	30		CCEDRM
N#CC1(CS(=O)(=O)[N-]C(=O)[C@H]2CCCCO2)CC1	ZINC000793197395	837402911	/nfs/dbraw/zinc/40/29/11/837402911.db2.gz	RMVJNVLBRVHOSN-SECBINFHSA-N	-1	0	272.326	0.305	20	30		CCEDRM
C[C@@]1(C(=O)[N-]S(=O)(=O)CC2(C#N)CC2)CCCO1	ZINC000793204326	837406706	/nfs/dbraw/zinc/40/67/06/837406706.db2.gz	HSQDMHMNWTZALP-JTQLQIEISA-N	-1	0	272.326	0.305	20	30		CCEDRM
O=[N+]([O-])c1ccc([O-])c(/C=N/[C@H]2CCS(=O)(=O)C2)c1	ZINC000005273481	837423981	/nfs/dbraw/zinc/42/39/81/837423981.db2.gz	DBGWHLJEVHVTNJ-DAVUEJTQSA-N	-1	0	284.293	0.906	20	30		CCEDRM
C[C@H]1C(=O)NCCN1C(=O)CCC(=O)C1=CC=C[CH]1	ZINC001184244241	844187312	/nfs/dbraw/zinc/18/73/12/844187312.db2.gz	RZZDVSSBNGAXKU-JTQLQIEISA-N	-1	0	261.301	0.383	20	30		CCEDRM
CCN(CCC(N)=O)C(=O)CCC(=O)C1=CC=C[CH]1	ZINC001184243456	844187898	/nfs/dbraw/zinc/18/78/98/844187898.db2.gz	JXVYDPMWYOUGMF-UHFFFAOYSA-N	-1	0	263.317	0.760	20	30		CCEDRM
COC(=O)[C@@H]1C[C@@H]1CNC(=O)CCC(=O)C1=CC=C[CH]1	ZINC001184246337	844188472	/nfs/dbraw/zinc/18/84/72/844188472.db2.gz	QARQVHXGWDEJKC-VXGBXAGGSA-N	-1	0	276.312	0.961	20	30		CCEDRM
N#C[N-]C(=O)[C@@H]1CN(c2cccc(C#N)c2)C(=O)O1	ZINC001184377129	844226103	/nfs/dbraw/zinc/22/61/03/844226103.db2.gz	YKFOTMAVZREDJT-JTQLQIEISA-N	-1	0	256.221	0.481	20	30		CCEDRM
C[C@H](NC(=O)c1cn[nH]n1)[C@H](C)Nc1ccc(C#N)cn1	ZINC001113356490	837097429	/nfs/dbraw/zinc/09/74/29/837097429.db2.gz	IHONLDZPTALZAU-IUCAKERBSA-N	-1	0	285.311	0.690	20	30		CCEDRM
C=CCN(CC=C)S(=O)(=O)c1cc(C(=O)OC)[nH]n1	ZINC001184623436	844268730	/nfs/dbraw/zinc/26/87/30/844268730.db2.gz	STKDAXKIQVDMKA-UHFFFAOYSA-N	-1	0	285.325	0.559	20	30		CCEDRM
Cn1cnc([N-]S(=O)(=O)c2cnc(Cl)nc2)c1C#N	ZINC001185003554	844327178	/nfs/dbraw/zinc/32/71/78/844327178.db2.gz	DWAJCHZWLXCFCW-UHFFFAOYSA-N	-1	0	298.715	0.536	20	30		CCEDRM
CSc1ncc([O-])c(C(=O)N2CC(C)(C#N)C2)n1	ZINC001185160816	844349184	/nfs/dbraw/zinc/34/91/84/844349184.db2.gz	CHJQZSFITRRGND-UHFFFAOYSA-N	-1	0	264.310	0.890	20	30		CCEDRM
C=CCN1CCN(C(=O)c2nc(SC)ncc2[O-])CC1	ZINC001185176810	844354862	/nfs/dbraw/zinc/35/48/62/844354862.db2.gz	KONTYWYBDXLVEM-UHFFFAOYSA-N	-1	0	294.380	0.848	20	30		CCEDRM
CSc1ncc([O-])c(C(=O)NC2(C#N)CCOCC2)n1	ZINC001185188168	844356610	/nfs/dbraw/zinc/35/66/10/844356610.db2.gz	UUTPJBAHQJLQSJ-UHFFFAOYSA-N	-1	0	294.336	0.707	20	30		CCEDRM
C/C(=C/C(=O)Nc1nc(C#N)c(C#N)[n-]1)c1cnccn1	ZINC001143815381	839882264	/nfs/dbraw/zinc/88/22/64/839882264.db2.gz	UUTFQGMPMZNRID-YWEYNIOJSA-N	-1	0	279.263	0.985	20	30		CCEDRM
N#Cc1cccc(O[N-]C(=O)[C@H]2CCOC(=O)N2)c1	ZINC001171256280	840213087	/nfs/dbraw/zinc/21/30/87/840213087.db2.gz	UQFCMNJZQBQZBH-SNVBAGLBSA-N	-1	0	261.237	0.467	20	30		CCEDRM
N#Cc1cccc2c1c(N)nn2-c1cnn(CC(=O)[O-])c1	ZINC001176264958	842346188	/nfs/dbraw/zinc/34/61/88/842346188.db2.gz	PNMYWQSMKGWMFY-UHFFFAOYSA-N	-1	0	282.263	0.760	20	30		CCEDRM
Nc1nonc1C(=Nc1csc(C(=O)[O-])c1)NO	ZINC001176436296	842366773	/nfs/dbraw/zinc/36/67/73/842366773.db2.gz	JGHBLAUIPJDVGI-UHFFFAOYSA-N	-1	0	269.242	0.469	20	30		CCEDRM
C[C@H](NC(=O)Cc1nnn[n-]1)c1cccc(C#N)c1	ZINC001176845269	842443609	/nfs/dbraw/zinc/44/36/09/842443609.db2.gz	LXOQZMCTWHJVDP-QMMMGPOBSA-N	-1	0	256.269	0.491	20	30		CCEDRM
N#Cc1ccc(NC(=O)Cc2nnn[n-]2)c(C#N)c1	ZINC001176844735	842444353	/nfs/dbraw/zinc/44/43/53/842444353.db2.gz	IERWNVYXWXYJFA-UHFFFAOYSA-N	-1	0	253.225	0.124	20	30		CCEDRM
O=C([O-])CCC(=O)CNC(=O)C#Cc1ccc(F)cc1F	ZINC001178574054	842884219	/nfs/dbraw/zinc/88/42/19/842884219.db2.gz	GIVUQAFKEGENMF-UHFFFAOYSA-N	-1	0	295.241	0.866	20	30		CCEDRM
CN1CCO[C@@H](C(=O)Nc2cc(C#N)c(F)cc2[O-])C1	ZINC001180759990	843281671	/nfs/dbraw/zinc/28/16/71/843281671.db2.gz	DRCBZQVIAGXWGJ-GFCCVEGCSA-N	-1	0	279.271	0.672	20	30		CCEDRM
C[C@@H](C(=O)NCS(=O)(=O)[O-])c1ccc(C#N)cc1	ZINC001182800851	843916293	/nfs/dbraw/zinc/91/62/93/843916293.db2.gz	WKPVMFGZSUPLKO-MRVPVSSYSA-N	-1	0	268.294	0.623	20	30		CCEDRM
C=C(C[NH+]1CCCC1)C(=O)N[C@H]1SC(=O)[N-]C1=O	ZINC001183079691	843960602	/nfs/dbraw/zinc/96/06/02/843960602.db2.gz	DIXIHTAKRNZTCP-JTQLQIEISA-N	-1	0	269.326	0.064	20	30		CCEDRM
CCOC(=O)C(=O)Nc1cc(C#N)c(F)cc1[O-]	ZINC001183254932	843994647	/nfs/dbraw/zinc/99/46/47/843994647.db2.gz	HTRKKXUKYJBODB-UHFFFAOYSA-N	-1	0	252.201	0.905	20	30		CCEDRM
Cn1cnc([N-]S(=O)(=O)c2nccs2)c1C#N	ZINC001187860819	844785831	/nfs/dbraw/zinc/78/58/31/844785831.db2.gz	KKDRGMWPGMEXFB-UHFFFAOYSA-N	-1	0	269.311	0.549	20	30		CCEDRM
C#C[C@@H](C)NC(=O)c1ccccc1S(=O)(=O)[O-]	ZINC001189703958	845194382	/nfs/dbraw/zinc/19/43/82/845194382.db2.gz	QHRVLGWZWKUWTG-MRVPVSSYSA-N	-1	0	253.279	0.685	20	30		CCEDRM
Cc1cnc(C#N)c([N-]S(=O)(=O)c2ncc[nH]2)c1	ZINC001190689922	845465929	/nfs/dbraw/zinc/46/59/29/845465929.db2.gz	GKGDWLUIVHWFEM-UHFFFAOYSA-N	-1	0	263.282	0.786	20	30		CCEDRM
C=CCC1(S(=O)(=O)[N-]c2nccnc2C(=O)NC)CC1	ZINC001190776713	845496101	/nfs/dbraw/zinc/49/61/01/845496101.db2.gz	LWCIKTWGRNIURW-UHFFFAOYSA-N	-1	0	296.352	0.687	20	30		CCEDRM
N#CCS(=O)(=O)[N-]c1nc(F)c(F)cc1F	ZINC001192935523	845941437	/nfs/dbraw/zinc/94/14/37/845941437.db2.gz	VXEUYHOIZZINIV-UHFFFAOYSA-N	-1	0	251.189	0.764	20	30		CCEDRM
N#CCS(=O)(=O)[N-]c1cccnc1OC1CCOCC1	ZINC001192938338	845942245	/nfs/dbraw/zinc/94/22/45/845942245.db2.gz	BRVQEGXATJPAFX-UHFFFAOYSA-N	-1	0	297.336	0.905	20	30		CCEDRM
COc1cc([N-]S(=O)(=O)CC#N)cc(-n2cncn2)c1	ZINC001192981961	845942917	/nfs/dbraw/zinc/94/29/17/845942917.db2.gz	AZGAXTSDPJUYFP-UHFFFAOYSA-N	-1	0	293.308	0.541	20	30		CCEDRM
Cc1ccc2c(c1[N-]S(=O)(=O)CC#N)CNC2=O	ZINC001192972387	845958372	/nfs/dbraw/zinc/95/83/72/845958372.db2.gz	VOZUYZZGFXTPAR-UHFFFAOYSA-N	-1	0	265.294	0.504	20	30		CCEDRM
CCOC(=O)C(C)(C)S(=O)(=O)[N-]c1ccnc(C#N)c1	ZINC001193016758	845967289	/nfs/dbraw/zinc/96/72/89/845967289.db2.gz	GZZGXPQIKXCCGQ-UHFFFAOYSA-N	-1	0	297.336	0.459	20	30		CCEDRM
C[C@H](C#N)S(=O)(=O)[N-]c1nccnc1N(C)C	ZINC001193104306	845978195	/nfs/dbraw/zinc/97/81/95/845978195.db2.gz	HKKYAOKEFQRCLD-SSDOTTSWSA-N	-1	0	255.303	0.196	20	30		CCEDRM
C[C@H](C#N)S(=O)(=O)[N-]c1ncnc2c1cnn2C	ZINC001193104718	845978872	/nfs/dbraw/zinc/97/88/72/845978872.db2.gz	MGGBHPROGABYGS-ZCFIWIBFSA-N	-1	0	266.286	0.017	20	30		CCEDRM
C[C@H](C#N)S(=O)(=O)[N-]c1cccn2nccc12	ZINC001193111899	845980857	/nfs/dbraw/zinc/98/08/57/845980857.db2.gz	MNLVFJRFPYYILI-MRVPVSSYSA-N	-1	0	250.283	0.988	20	30		CCEDRM
C[C@H](C#N)S(=O)(=O)Nc1ccc(S(=O)(=O)[O-])cc1	ZINC001193151522	846006279	/nfs/dbraw/zinc/00/62/79/846006279.db2.gz	RQIVBCSPRIXDDF-SSDOTTSWSA-N	-1	0	290.322	0.587	20	30		CCEDRM
C[C@@H](C#N)S(=O)(=O)[N-]c1ccc(C(N)=O)c(F)c1	ZINC001193160908	846009404	/nfs/dbraw/zinc/00/94/04/846009404.db2.gz	KNTRYUKLKPMKLK-LURJTMIESA-N	-1	0	271.273	0.578	20	30		CCEDRM
CONC(=O)c1ccccc1[N-]S(=O)(=O)[C@H](C)C#N	ZINC001193160859	846009720	/nfs/dbraw/zinc/00/97/20/846009720.db2.gz	ITYOSNXYPHGMKC-MRVPVSSYSA-N	-1	0	283.309	0.632	20	30		CCEDRM
CCOC(=O)C1=C([N-]S(=O)(=O)[C@@H](C)C#N)[C@H](C)OC1	ZINC001193169000	846011183	/nfs/dbraw/zinc/01/11/83/846011183.db2.gz	PSPNNRYIIFPWHH-YUMQZZPRSA-N	-1	0	288.325	0.054	20	30		CCEDRM
COc1ccnc(C(=O)N=C(NC#N)c2ccncc2)c1[O-]	ZINC001193542634	846097618	/nfs/dbraw/zinc/09/76/18/846097618.db2.gz	JLYKXNCNXLJMEL-UHFFFAOYSA-N	-1	0	297.274	0.848	20	30		CCEDRM
COC(CN(C)C(=O)c1ccc([O-])c(C#N)c1)OC	ZINC001193503905	846100240	/nfs/dbraw/zinc/10/02/40/846100240.db2.gz	JDYGJYMRWOCVIE-UHFFFAOYSA-N	-1	0	264.281	0.955	20	30		CCEDRM
COc1ccc(CNC(=O)c2ccc([O-])c(C#N)c2)nn1	ZINC001193515604	846103221	/nfs/dbraw/zinc/10/32/21/846103221.db2.gz	PJVNNBVUUPSCEA-UHFFFAOYSA-N	-1	0	284.275	0.992	20	30		CCEDRM
Cc1nc(C#N)cnc1[N-]S(=O)(=O)c1nccn1C	ZINC001193557647	846118415	/nfs/dbraw/zinc/11/84/15/846118415.db2.gz	RLUUDBPWEKKAAV-UHFFFAOYSA-N	-1	0	278.297	0.191	20	30		CCEDRM
N#Cc1cccc(C(=O)N2CCN3C(=O)CC[C@@H]3C2)c1[O-]	ZINC001193644226	846134716	/nfs/dbraw/zinc/13/47/16/846134716.db2.gz	SXLKQUUCLFESLZ-LLVKDONJSA-N	-1	0	285.303	0.711	20	30		CCEDRM
C[C@]1(CO)CN(C(=O)c2cccc(C#N)c2[O-])CC[C@@H]1O	ZINC001193642948	846134743	/nfs/dbraw/zinc/13/47/43/846134743.db2.gz	UEJTYFXXLYMOFA-SWLSCSKDSA-N	-1	0	290.319	0.469	20	30		CCEDRM
N#Cc1cccc(C(=O)N2CCN3C(=O)OC[C@H]3C2)c1[O-]	ZINC001193644011	846134800	/nfs/dbraw/zinc/13/48/00/846134800.db2.gz	LGUHQTZTEWSPRU-SNVBAGLBSA-N	-1	0	287.275	0.540	20	30		CCEDRM
Cc1cnc(NC(=O)c2cccc(C#N)c2[O-])c(=O)[nH]1	ZINC001193659775	846139662	/nfs/dbraw/zinc/13/96/62/846139662.db2.gz	QNCTXJASUFFWAZ-UHFFFAOYSA-N	-1	0	270.248	0.908	20	30		CCEDRM
COc1ncccc1S(=O)(=O)[N-]c1cnn(C)c1C#N	ZINC001194681310	846357194	/nfs/dbraw/zinc/35/71/94/846357194.db2.gz	SYEWQYHCSZJQGC-UHFFFAOYSA-N	-1	0	293.308	0.496	20	30		CCEDRM
CCOC([O-])=NC(=S)N=C(NC#N)c1ccncc1	ZINC001195497518	846553110	/nfs/dbraw/zinc/55/31/10/846553110.db2.gz	RAIWYHOMRHVQHR-UHFFFAOYSA-N	-1	0	277.309	0.930	20	30		CCEDRM
CCOC(=O)CS(=O)(=O)[N-]c1ccc(O)cc1C#N	ZINC001195974717	846657516	/nfs/dbraw/zinc/65/75/16/846657516.db2.gz	IHHGAZUDGIPLIA-UHFFFAOYSA-N	-1	0	284.293	0.569	20	30		CCEDRM
N#Cc1cnoc1[N-]S(=O)(=O)Cc1cccnc1	ZINC001197422263	846908873	/nfs/dbraw/zinc/90/88/73/846908873.db2.gz	QUJAOWHUWZMJLG-UHFFFAOYSA-N	-1	0	264.266	0.883	20	30		CCEDRM
C=CCC1(O)CCN(C(=O)NCCC(=O)[O-])CC1	ZINC000717249340	848182862	/nfs/dbraw/zinc/18/28/62/848182862.db2.gz	IMOKRQISADECHS-UHFFFAOYSA-N	-1	0	256.302	0.574	20	30		CCEDRM
NC(=O)[C@@H]1CC12CN(C(=O)CCC(=O)C1=CC=C[CH]1)C2	ZINC001274662474	848535334	/nfs/dbraw/zinc/53/53/34/848535334.db2.gz	YYQCHXGWJJRAPN-NSHDSACASA-N	-1	0	273.312	0.370	20	30		CCEDRM
C#CCN(CC#CC)C(=O)N[C@@H]1CC[C@H](C(=O)[O-])C1	ZINC000687999439	849155749	/nfs/dbraw/zinc/15/57/49/849155749.db2.gz	VHBVVXVNZKOMSY-NWDGAFQWSA-N	-1	0	262.309	0.908	20	30		CCEDRM
C=C(Cl)CN1CC[C@@H]1CNC(=O)c1[nH]nc(C)c1[O-]	ZINC001038167531	849806514	/nfs/dbraw/zinc/80/65/14/849806514.db2.gz	CPYHSKNTVPDIJO-SECBINFHSA-N	-1	0	284.747	0.980	20	30		CCEDRM
C#CCN1CC[C@@H]1CNC(=O)c1ccc2oc(=O)nc-2[n-]1	ZINC001038920638	850084349	/nfs/dbraw/zinc/08/43/49/850084349.db2.gz	IIFUWWBELCAQDR-SECBINFHSA-N	-1	0	286.291	0.366	20	30		CCEDRM
C#CC[C@H](NC(=O)Cc1ccc(OC)cc1)C(=O)[O-]	ZINC000149667044	853995159	/nfs/dbraw/zinc/99/51/59/853995159.db2.gz	UOJFXZCRNWEDAF-LBPRGKRZSA-N	-1	0	261.277	0.830	20	30		CCEDRM
C#CC[C@H](NC(=O)[C@H](C)NC(=O)C(C)(C)C)C(=O)[O-]	ZINC000149760602	853996228	/nfs/dbraw/zinc/99/62/28/853996228.db2.gz	UWLQHBXFSGKPKE-IUCAKERBSA-N	-1	0	268.313	0.130	20	30		CCEDRM
C#CC[C@H](NC(=O)[C@H]1CCCN(C(=O)C2CC2)C1)C(=O)[O-]	ZINC000149964447	854009805	/nfs/dbraw/zinc/00/98/05/854009805.db2.gz	GMTBOBPXROQPRA-RYUDHWBXSA-N	-1	0	292.335	0.228	20	30		CCEDRM
Cc1nnc([S-])n(N=Cc2ccc(O)c(O)c2)c1=O	ZINC001115832709	855698785	/nfs/dbraw/zinc/69/87/85/855698785.db2.gz	DUUUIRWMOWCMIE-UHFFFAOYSA-N	-1	0	278.293	0.529	20	30		CCEDRM
Cc1onc(CC(=O)[N-]OC2CCOCC2)c1C#N	ZINC001116673495	855809507	/nfs/dbraw/zinc/80/95/07/855809507.db2.gz	VOKQKSKIIFPEOH-UHFFFAOYSA-N	-1	0	265.269	0.624	20	30		CCEDRM
C=C(C)COCCNC(=O)C(=O)[N-]OCCSC	ZINC001117605893	856024264	/nfs/dbraw/zinc/02/42/64/856024264.db2.gz	WCVLSSNRFYWHFW-UHFFFAOYSA-N	-1	0	276.358	0.106	20	30		CCEDRM
C=CCOC[C@@H](NC(=O)c1ccc(OCC)nc1)C(=O)[O-]	ZINC001117845620	856090942	/nfs/dbraw/zinc/09/09/42/856090942.db2.gz	SPQVEMBWOTYEHM-LLVKDONJSA-N	-1	0	294.307	0.866	20	30		CCEDRM
C=CC[C@H](NC(=O)Cc1nc(C2CC2)nn1C)C(=O)[O-]	ZINC001118284948	856243318	/nfs/dbraw/zinc/24/33/18/856243318.db2.gz	RKYGECYLXZFJFJ-VIFPVBQESA-N	-1	0	278.312	0.381	20	30		CCEDRM
C#CCO[C@@H](C)C(=O)NCc1c(C)nn(CC(=O)[O-])c1C	ZINC001119580569	856752811	/nfs/dbraw/zinc/75/28/11/856752811.db2.gz	OAMWTABHLNVTKY-NSHDSACASA-N	-1	0	293.323	0.239	20	30		CCEDRM
Cc1ncoc1C(=O)[N-]S(=O)(=O)CC1(C#N)CC1	ZINC001323378198	912309966	/nfs/dbraw/zinc/30/99/66/912309966.db2.gz	ITRVWMPXBKMTJR-UHFFFAOYSA-N	-1	0	269.282	0.346	20	30		CCEDRM
CCO[N-]C(=O)C(=O)Nc1ccc(OCC#N)cc1	ZINC001324383046	912814986	/nfs/dbraw/zinc/81/49/86/912814986.db2.gz	OQVMXRLVFYSBAU-UHFFFAOYSA-N	-1	0	263.253	0.595	20	30		CCEDRM
N#CCCCCCC(=O)N1CCO[C@H](c2nnn[n-]2)C1	ZINC001324743303	913014293	/nfs/dbraw/zinc/01/42/93/913014293.db2.gz	WIBCOFUGQKKTBI-JTQLQIEISA-N	-1	0	278.316	0.574	20	30		CCEDRM
C#CCCCC(=O)NCCCNC(=O)c1[nH]nc(C)c1[O-]	ZINC001283225054	891701899	/nfs/dbraw/zinc/70/18/99/891701899.db2.gz	PYGCACMRNUYYDX-UHFFFAOYSA-N	-1	0	292.339	0.463	20	30		CCEDRM
C[C@@H]1C[C@@]1(C(=O)[O-])C(=O)N1CCN(CCC#N)CC1	ZINC001350624132	891850529	/nfs/dbraw/zinc/85/05/29/891850529.db2.gz	YKFMAGMRTMOMJC-MFKMUULPSA-N	-1	0	265.313	0.155	20	30		CCEDRM
Cn1cc(S(=O)(=O)[N-]c2cccc(CC#N)n2)cn1	ZINC001364047556	893914677	/nfs/dbraw/zinc/91/46/77/893914677.db2.gz	GMQOAYNSLKWWJG-UHFFFAOYSA-N	-1	0	277.309	0.682	20	30		CCEDRM
C=CCOc1ccccc1C(=O)N1CC[C@@](O)(C(=O)[O-])C1	ZINC000386660365	897478691	/nfs/dbraw/zinc/47/86/91/897478691.db2.gz	SLMLYGKPWOVMLK-HNNXBMFYSA-N	-1	0	291.303	0.913	20	30		CCEDRM
C=CCC[C@H](NC(=O)[C@@H]1CSCN1C(C)=O)C(=O)[O-]	ZINC000448994192	897569393	/nfs/dbraw/zinc/56/93/93/897569393.db2.gz	NWIGUENRIQTARR-UWVGGRQHSA-N	-1	0	286.353	0.443	20	30		CCEDRM
C=CCCn1cc(CNCc2nocc2C(=O)[O-])nn1	ZINC001327018581	914315733	/nfs/dbraw/zinc/31/57/33/914315733.db2.gz	SLHUOIBDHMOADY-UHFFFAOYSA-N	-1	0	277.284	0.830	20	30		CCEDRM
C=CCn1cnc2c1ncnc2[N-]S(=O)(=O)[C@H](C)C#N	ZINC001193106974	900031950	/nfs/dbraw/zinc/03/19/50/900031950.db2.gz	MWDNRNXMZFLLTG-MRVPVSSYSA-N	-1	0	292.324	0.666	20	30		CCEDRM
COC(=O)[C@H](CCC(=O)[O-])NC(=O)c1cncc(C#N)c1	ZINC001194114286	900046522	/nfs/dbraw/zinc/04/65/22/900046522.db2.gz	VTPLGPXWIJBXNG-JTQLQIEISA-N	-1	0	291.263	0.089	20	30		CCEDRM
CC(C)C#CC(=O)N(C)CCN(C)Cc1n[nH]c(=O)[n-]1	ZINC001319993440	900913549	/nfs/dbraw/zinc/91/35/49/900913549.db2.gz	AOKIURHBFKJRAE-UHFFFAOYSA-N	-1	0	279.344	0.060	20	30		CCEDRM
Cc1cc(C#N)c(=O)[n-]c1C(=O)N(C)Cc1cn(C)nn1	ZINC001412350770	901656244	/nfs/dbraw/zinc/65/62/44/901656244.db2.gz	VKCAOSBDUQZIMX-UHFFFAOYSA-N	-1	0	286.295	0.368	20	30		CCEDRM
Cc1cc(C#N)c(=O)[n-]c1C(=O)N[C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@H]12	ZINC001412722241	901983951	/nfs/dbraw/zinc/98/39/51/901983951.db2.gz	SRDBRHSYQSSYQX-OQEOFVATSA-N	-1	0	285.303	0.873	20	30		CCEDRM
Cc1cc(C#N)c(=O)[n-]c1C(=O)NCc1c[nH]c(=O)[nH]1	ZINC001413040223	902515452	/nfs/dbraw/zinc/51/54/52/902515452.db2.gz	WICCLXNRLQVUTB-UHFFFAOYSA-N	-1	0	273.252	0.326	20	30		CCEDRM
C[C@@H](Cc1cnn(C)c1)C(=O)Nc1nc(C#N)c(C#N)[n-]1	ZINC001413193230	902772595	/nfs/dbraw/zinc/77/25/95/902772595.db2.gz	KRTFNAZSXMSCBB-QMMMGPOBSA-N	-1	0	283.295	0.704	20	30		CCEDRM
Cc1cc(C#N)c(=O)[n-]c1C(=O)N=S1(=O)CCOCC1	ZINC001413764960	903249077	/nfs/dbraw/zinc/24/90/77/903249077.db2.gz	QKJBHQVYTCATFU-UHFFFAOYSA-N	-1	0	295.320	0.606	20	30		CCEDRM
COc1ccc(C(=O)[O-])cc1-n1nc(N)c(C#N)c1N	ZINC001210254551	903821984	/nfs/dbraw/zinc/82/19/84/903821984.db2.gz	PWWKZVQHFRHIRH-UHFFFAOYSA-N	-1	0	273.252	0.615	20	30		CCEDRM
C=CCCC[C@@H](NC(=O)CO[C@H]1CCOC1)C(=O)[O-]	ZINC001332164432	904067276	/nfs/dbraw/zinc/06/72/76/904067276.db2.gz	BBYAENIWDYYRQE-WDEREUQCSA-N	-1	0	271.313	0.718	20	30		CCEDRM
Cc1n[nH]c(C(=O)NC[C@H](C)NC(=O)C#CC(C)C)c1[O-]	ZINC001285726172	905745693	/nfs/dbraw/zinc/74/56/93/905745693.db2.gz	UTRBUCXLVKYGJR-VIFPVBQESA-N	-1	0	292.339	0.318	20	30		CCEDRM
C=CCCC(=O)N(C)CCN(C)C(=O)c1n[nH]c(C)c1[O-]	ZINC001298045159	907147608	/nfs/dbraw/zinc/14/76/08/907147608.db2.gz	ZWJILPQDUWJELU-UHFFFAOYSA-N	-1	0	294.355	0.920	20	30		CCEDRM
CCC(C)(C)OCCNc1[n-]c(=O)n(C)c(=O)c1C#N	ZINC001337891693	921301277	/nfs/dbraw/zinc/30/12/77/921301277.db2.gz	DPDJLBFBJNNPNB-UHFFFAOYSA-N	-1	0	280.328	0.562	20	30		CCEDRM
Cn1c(=O)[n-]c(Oc2ccc([N+](=O)[O-])cc2)c(C#N)c1=O	ZINC001306915875	908274164	/nfs/dbraw/zinc/27/41/64/908274164.db2.gz	OZZZSCLRWYHBLZ-UHFFFAOYSA-N	-1	0	288.219	0.646	20	30		CCEDRM
CC(C)n1nnc([N-]S(=O)(=O)CCCCC#N)n1	ZINC001309877476	908475625	/nfs/dbraw/zinc/47/56/25/908475625.db2.gz	CCEUONPWMKUORE-UHFFFAOYSA-N	-1	0	272.334	0.690	20	30		CCEDRM
C[C@H]1CCC[C@H]1NC(=O)CCn1cc(C#N)c(=O)[n-]c1=O	ZINC001417639530	921486239	/nfs/dbraw/zinc/48/62/39/921486239.db2.gz	DOZBSNGUFUJBMW-GXSJLCMTSA-N	-1	0	290.323	0.515	20	30		CCEDRM
N#Cc1ccc(C(=O)N2CCSC[C@H]2c2nnn[n-]2)[nH]1	ZINC001417719281	921571755	/nfs/dbraw/zinc/57/17/55/921571755.db2.gz	BDSFTVIMHKCQAU-VIFPVBQESA-N	-1	0	289.324	0.330	20	30		CCEDRM
C#CCCCC(=O)[N-]S(=O)(=O)c1ccc(C(N)=O)cc1	ZINC001320761146	910850449	/nfs/dbraw/zinc/85/04/49/910850449.db2.gz	RPQZHRVDENGTAF-UHFFFAOYSA-N	-1	0	294.332	0.394	20	30		CCEDRM
C=CC[C@H](NC(=O)CS(=O)(=O)C1CCCC1)C(=O)[O-]	ZINC001321166961	911135553	/nfs/dbraw/zinc/13/55/53/911135553.db2.gz	MBRHTPJXVCHMCD-JTQLQIEISA-N	-1	0	289.353	0.489	20	30		CCEDRM
C=CC[C@@H](NC(=O)CNC(=O)NC1CCCCC1)C(=O)[O-]	ZINC001321339819	911245549	/nfs/dbraw/zinc/24/55/49/911245549.db2.gz	RXQDLHCBVUEFFS-LLVKDONJSA-N	-1	0	297.355	0.764	20	30		CCEDRM
C=CC[C@H](NC(=O)CCOC[C@@H]1CCCO1)C(=O)[O-]	ZINC001321658518	911425892	/nfs/dbraw/zinc/42/58/92/911425892.db2.gz	UPMWBLIQHYQVBN-QWRGUYRKSA-N	-1	0	271.313	0.718	20	30		CCEDRM
CC1(C#N)CN(C(=O)c2c[n-]n3c2nccc3=O)C1	ZINC001328637890	915324614	/nfs/dbraw/zinc/32/46/14/915324614.db2.gz	UJFRUSDMFCSSJZ-UHFFFAOYSA-N	-1	0	257.253	0.008	20	30		CCEDRM
C=C[C@H](C)O[N-]C(=O)C(=O)Nc1ccnnc1C	ZINC001328728457	915393876	/nfs/dbraw/zinc/39/38/76/915393876.db2.gz	QXZMPLZGNSQTEO-ZETCQYMHSA-N	-1	0	250.258	0.346	20	30		CCEDRM
N#CCCCCC(=O)NC1(C(=O)[O-])CCOCC1	ZINC001329964768	916316850	/nfs/dbraw/zinc/31/68/50/916316850.db2.gz	WOYTWHHRLATJCN-UHFFFAOYSA-N	-1	0	254.286	0.820	20	30		CCEDRM
C[C@@H](C#N)C(=O)N[C@@H]1CCCN(Cc2n[nH]c(=O)[n-]2)CC1	ZINC001402609257	917126231	/nfs/dbraw/zinc/12/62/31/917126231.db2.gz	SHURTHWJIWBBEG-VHSXEESVSA-N	-1	0	292.343	0.141	20	30		CCEDRM
Cc1nnc([S-])n(N=C2CCCn3ccnc32)c1=O	ZINC001332928564	918538699	/nfs/dbraw/zinc/53/86/99/918538699.db2.gz	KMPOTPYGDPAAEZ-UHFFFAOYSA-N	-1	0	276.325	0.478	20	30		CCEDRM
Cc1ccc(C=Nn2c(=O)c(C)n[n-]c2=S)nc1	ZINC001333091712	918650098	/nfs/dbraw/zinc/65/00/98/918650098.db2.gz	AFIHLBAOOCMMRW-UHFFFAOYSA-N	-1	0	261.310	0.821	20	30		CCEDRM
C=C1CCC(CNC(=O)C(=O)NCC(=O)[N-]OCC)CC1	ZINC001333155575	918694816	/nfs/dbraw/zinc/69/48/16/918694816.db2.gz	XHGRNUYEXIBHDO-UHFFFAOYSA-N	-1	0	297.355	0.033	20	30		CCEDRM
C=CCOC[C@@H](NC(=O)c1cn(C)nc1CC)C(=O)[O-]	ZINC001333335134	918813192	/nfs/dbraw/zinc/81/31/92/918813192.db2.gz	NZWOYUDBHJDXQZ-LLVKDONJSA-N	-1	0	281.312	0.368	20	30		CCEDRM
COCC#CC(=O)N[C@H](c1nc(=O)o[n-]1)C(C)(C)C	ZINC001333369385	918844229	/nfs/dbraw/zinc/84/42/29/918844229.db2.gz	FUPZXXZALCLKOQ-SECBINFHSA-N	-1	0	267.285	0.216	20	30		CCEDRM
C=C[C@](C)(O)C(=O)NCc1ccc(OC)c(C(=O)[O-])c1	ZINC001334948974	919860926	/nfs/dbraw/zinc/86/09/26/919860926.db2.gz	SAXMKFJPIIYMKC-AWEZNQCLSA-N	-1	0	279.292	0.947	20	30		CCEDRM
C=CC[C@@H](NC(=O)c1cn(C)nc1OC)C(=O)[O-]	ZINC001334981362	919880798	/nfs/dbraw/zinc/88/07/98/919880798.db2.gz	UUOPEZRZCCCOMT-MRVPVSSYSA-N	-1	0	253.258	0.188	20	30		CCEDRM
C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H](C)CCC(=O)[O-]	ZINC001334980528	919880852	/nfs/dbraw/zinc/88/08/52/919880852.db2.gz	JGLQCZBQOJSLJP-MNOVXSKESA-N	-1	0	252.314	0.454	20	30		CCEDRM
C=CC[C@H]1CCCC[C@@H]1NC(=O)C(=O)NCC(=O)[N-]OC	ZINC001335142981	919979891	/nfs/dbraw/zinc/97/98/91/919979891.db2.gz	GWXGANIIUFDHKS-QWRGUYRKSA-N	-1	0	297.355	0.031	20	30		CCEDRM
COC(=O)C(F)(F)C[N-]S(=O)(=O)CC(C)(C)C#N	ZINC001414351260	920291103	/nfs/dbraw/zinc/29/11/03/920291103.db2.gz	GWRDPSHWNKBDRE-UHFFFAOYSA-N	-1	0	284.284	0.264	20	30		CCEDRM
N#Cc1ccc(F)c(NC(=O)NCc2n[nH]c(=O)[n-]2)c1	ZINC001414461106	920330981	/nfs/dbraw/zinc/33/09/81/920330981.db2.gz	VVJOPHXTQMVITH-UHFFFAOYSA-N	-1	0	276.231	0.843	20	30		CCEDRM
N#CCC1CCN(C(=O)CCCc2nnn[n-]2)CC1	ZINC001335989435	920548290	/nfs/dbraw/zinc/54/82/90/920548290.db2.gz	DDOVYFXAFFLZTQ-UHFFFAOYSA-N	-1	0	262.317	0.675	20	30		CCEDRM
O=C([O-])CNN=C1CCC2(CS(=O)(=O)C2)CC1	ZINC001336039088	920576412	/nfs/dbraw/zinc/57/64/12/920576412.db2.gz	GWPFQAUAKXPTJQ-UHFFFAOYSA-N	-1	0	260.315	0.005	20	30		CCEDRM
N#Cc1ccc([O-])c(NC(=O)CN2CCC(CO)CC2)c1	ZINC001336415485	920761988	/nfs/dbraw/zinc/76/19/88/920761988.db2.gz	CFAZQVYIYLNAJG-UHFFFAOYSA-N	-1	0	289.335	0.907	20	30		CCEDRM
Cc1ccc(C(=O)[N-]S(=O)(=O)N(C)C)cc1C#N	ZINC001339883303	921865363	/nfs/dbraw/zinc/86/53/63/921865363.db2.gz	CKLWKCUHAXHIEO-UHFFFAOYSA-N	-1	0	267.310	0.403	20	30		CCEDRM
COc1cc(C(=O)[N-]S(=O)(=O)CCCC#N)ccn1	ZINC001341797615	922679145	/nfs/dbraw/zinc/67/91/45/922679145.db2.gz	WKCCHUAGHQWYIN-UHFFFAOYSA-N	-1	0	283.309	0.454	20	30		CCEDRM
Cc1nnc2ccc(C([O-])=C(C#N)C(=O)NC3CC3)cn12	ZINC001341884941	922711314	/nfs/dbraw/zinc/71/13/14/922711314.db2.gz	GUMSVBFVNUMKHK-NSHDSACASA-N	-1	0	283.291	0.639	20	30		CCEDRM
CCCn1cc(C([O-])=C(C#N)C(=O)NCCCOC)nn1	ZINC001341905214	922717573	/nfs/dbraw/zinc/71/75/73/922717573.db2.gz	YQTUIJUSPWGNFU-JTQLQIEISA-N	-1	0	293.327	0.163	20	30		CCEDRM
N#CCCCCCC(=O)[N-]S(=O)(=O)C[C@H]1CCOC1	ZINC001342090596	922794653	/nfs/dbraw/zinc/79/46/53/922794653.db2.gz	WJCKGHVHSXTAKL-NSHDSACASA-N	-1	0	288.369	0.943	20	30		CCEDRM
COC[C@H](NC(=O)c1cccc(C#N)c1)c1nnn[n-]1	ZINC001419558666	922919201	/nfs/dbraw/zinc/91/92/01/922919201.db2.gz	XRGPSPJNNVGPKA-JTQLQIEISA-N	-1	0	272.268	0.189	20	30		CCEDRM
Cc1nn(C)cc1CCC(=O)C(C#N)=C([O-])c1nccn1C	ZINC001342559851	923004934	/nfs/dbraw/zinc/00/49/34/923004934.db2.gz	CBUKHUAYGRUUIO-LBPRGKRZSA-N	-1	0	299.334	0.986	20	30		CCEDRM
N#CC(=C([O-])c1cnn2c1OCCC2)c1ccncn1	ZINC001342691031	923053531	/nfs/dbraw/zinc/05/35/31/923053531.db2.gz	FPDZPVMPNIJBQX-VIFPVBQESA-N	-1	0	269.264	0.946	20	30		CCEDRM
C=C(C)Cn1c(-c2cc(=O)[nH][n-]2)nnc1N(C)CC1CC1	ZINC001342912092	923132246	/nfs/dbraw/zinc/13/22/46/923132246.db2.gz	PYUJVBYFZJGHOV-UHFFFAOYSA-N	-1	0	288.355	0.924	20	30		CCEDRM
C#C[C@H](NC(=O)N(CCOC)CCC(=O)[O-])[C@@H]1CCCO1	ZINC001343040015	923178189	/nfs/dbraw/zinc/17/81/89/923178189.db2.gz	DBFONWYGRYHGJV-RYUDHWBXSA-N	-1	0	298.339	0.300	20	30		CCEDRM
CNC(=O)C(C#N)=C([O-])c1cncc(N2CCCC2=O)c1	ZINC001343500624	923352619	/nfs/dbraw/zinc/35/26/19/923352619.db2.gz	KERLHKDKHBHZTQ-NSHDSACASA-N	-1	0	286.291	0.277	20	30		CCEDRM
N#CC(C(=O)NC1CC1)=C([O-])c1cc2cccn2cn1	ZINC001343590276	923383213	/nfs/dbraw/zinc/38/32/13/923383213.db2.gz	MWFPNNXSFLZXLO-NSHDSACASA-N	-1	0	268.276	0.935	20	30		CCEDRM
N#CCCn1ccc(NC(=O)C(=O)[N-]OCC2CC2)n1	ZINC001343940228	923510223	/nfs/dbraw/zinc/51/02/23/923510223.db2.gz	WCNCKUIYQZIFDH-UHFFFAOYSA-N	-1	0	277.284	0.193	20	30		CCEDRM
C[C@H](C(=O)C(C#N)=C([O-])c1nccn1C)n1cnc(C#N)n1	ZINC001344037103	923535800	/nfs/dbraw/zinc/53/58/00/923535800.db2.gz	UHGJDSQHUATSIN-BDAKNGLRSA-N	-1	0	297.278	0.036	20	30		CCEDRM
N#Cc1cn(C2CN(C(=O)c3ccoc3)C2)c(=O)[n-]c1=O	ZINC001420664883	923861338	/nfs/dbraw/zinc/86/13/38/923861338.db2.gz	SNLNDARWIUFETC-UHFFFAOYSA-N	-1	0	286.247	0.111	20	30		CCEDRM
C=CCNC(=O)C(C#N)=C([O-])c1cn(C)nc1CC	ZINC001346053038	924055942	/nfs/dbraw/zinc/05/59/42/924055942.db2.gz	BDVBNPVUPCGBFM-SECBINFHSA-N	-1	0	260.297	0.607	20	30		CCEDRM
COCCNC(=O)C(C#N)=C([O-])c1cn2c(n1)CCCC2	ZINC001346078884	924064817	/nfs/dbraw/zinc/06/48/17/924064817.db2.gz	ZGGNWJAMFHSXAD-JTQLQIEISA-N	-1	0	290.323	0.304	20	30		CCEDRM
C=CCN(CC(=O)OCC)C(=O)c1c[n-]ncc1=O	ZINC001346932199	924332658	/nfs/dbraw/zinc/33/26/58/924332658.db2.gz	DHEBGMVFSDQJKU-UHFFFAOYSA-N	-1	0	265.269	0.374	20	30		CCEDRM
CC(=O)c1cc(C([O-])=C(C#N)C(=O)NC2CC2)n(C)c1	ZINC001347063493	924364020	/nfs/dbraw/zinc/36/40/20/924364020.db2.gz	KNJPDENOBYJNLC-LLVKDONJSA-N	-1	0	273.292	0.829	20	30		CCEDRM
Cn1ccnc1C([O-])=C(C#N)C(=O)CC1OCCCO1	ZINC001347202571	924398296	/nfs/dbraw/zinc/39/82/96/924398296.db2.gz	DJYHEBFGVUBRGH-SECBINFHSA-N	-1	0	277.280	0.465	20	30		CCEDRM
Cn1c(=O)[n-]c(NC[C@@H]2CCSC2)c(C#N)c1=O	ZINC001348127121	924599870	/nfs/dbraw/zinc/59/98/70/924599870.db2.gz	OTMWTUUQLMNOHZ-ZETCQYMHSA-N	-1	0	266.326	0.110	20	30		CCEDRM
CCO[N-]C(=O)CNC(=O)c1cccc(C#N)c1C	ZINC001349644269	925011554	/nfs/dbraw/zinc/01/15/54/925011554.db2.gz	KSEYDNDFYPFNJA-UHFFFAOYSA-N	-1	0	261.281	0.664	20	30		CCEDRM
Cn1c(C(=O)Nc2nc(C#N)c(C#N)[n-]2)cccc1=O	ZINC001350742897	925267667	/nfs/dbraw/zinc/26/76/67/925267667.db2.gz	DWSOASVUZVXATL-UHFFFAOYSA-N	-1	0	268.236	0.104	20	30		CCEDRM
C#CCO[N-]C(=O)[C@]1(N(C)C)COc2ccccc2C1	ZINC001352434320	925576038	/nfs/dbraw/zinc/57/60/38/925576038.db2.gz	XEOHCWYCEAUUMI-OAHLLOKOSA-N	-1	0	274.320	0.603	20	30		CCEDRM
C=C[C@H](C)ONC(=O)c1cccc(-n2[n-]nnc2=N)c1	ZINC001300213569	925744041	/nfs/dbraw/zinc/74/40/41/925744041.db2.gz	RHLMZAAWFHHJKB-QMMMGPOBSA-N	-1	0	274.284	0.311	20	30		CCEDRM
CCn1cccc1C([O-])=C(C#N)C(=O)NCCOC	ZINC001356254228	926361131	/nfs/dbraw/zinc/36/11/31/926361131.db2.gz	SJXDSLLGPTVMHM-SNVBAGLBSA-N	-1	0	263.297	0.593	20	30		CCEDRM
CNC(=O)C(C#N)=C([O-])c1c(C)[nH]nc1Br	ZINC001356317644	926367887	/nfs/dbraw/zinc/36/78/87/926367887.db2.gz	QHSPFTKQNOOXLZ-RXMQYKEDSA-N	-1	0	285.101	0.549	20	30		CCEDRM
CNC(=O)C(C#N)=C([O-])c1nn(C)c(C)c1Br	ZINC001356317974	926368000	/nfs/dbraw/zinc/36/80/00/926368000.db2.gz	RAZFGTASZFVNDD-LURJTMIESA-N	-1	0	299.128	0.560	20	30		CCEDRM
CCc1nc(C)c(CNc2[n-]c(=O)n(C)c(=O)c2C#N)o1	ZINC001413888789	926412474	/nfs/dbraw/zinc/41/24/74/926412474.db2.gz	OVELVOGVHWVJIR-UHFFFAOYSA-N	-1	0	289.295	0.416	20	30		CCEDRM
C=CC[C@@H](NC(=O)c1ccc(N(C)C)nc1)C(=O)[O-]	ZINC000150236873	926947667	/nfs/dbraw/zinc/94/76/67/926947667.db2.gz	XWHOULOEHIYEDV-SNVBAGLBSA-N	-1	0	263.297	0.907	20	30		CCEDRM
CCNC(=O)CN(C)C(=O)c1[n-]c(=O)c(C#N)cc1C	ZINC001361863065	927398690	/nfs/dbraw/zinc/39/86/90/927398690.db2.gz	SNADALAEYXTADW-UHFFFAOYSA-N	-1	0	276.296	0.175	20	30		CCEDRM
COc1ccc(C#N)cc1NC(=O)Cn1c(=O)[n-][nH]c1=O	ZINC001361864703	927401977	/nfs/dbraw/zinc/40/19/77/927401977.db2.gz	YDHDVWHILYVEJL-UHFFFAOYSA-N	-1	0	289.251	0.208	20	30		CCEDRM
CCOC(=O)[C@@H](C)NC(=O)c1[n-]c(=O)c(C#N)cc1C	ZINC001362078088	927589119	/nfs/dbraw/zinc/58/91/19/927589119.db2.gz	MCHIWSKBSDGOTE-MRVPVSSYSA-N	-1	0	277.280	0.649	20	30		CCEDRM
CC[C@H](CC#N)NC(=O)c1cccc(-n2[n-]nnc2=N)c1	ZINC001362306857	927854695	/nfs/dbraw/zinc/85/46/95/927854695.db2.gz	LYJACELTWYEPBX-SNVBAGLBSA-N	-1	0	285.311	0.497	20	30		CCEDRM
CC(C)C1(NC(=O)Cn2cc(C#N)c(=O)[n-]c2=O)CC1	ZINC001362483885	928080562	/nfs/dbraw/zinc/08/05/62/928080562.db2.gz	UGYSIXSRQBKAEJ-UHFFFAOYSA-N	-1	0	276.296	0.125	20	30		CCEDRM
CCC1(NC(=O)Cn2cc(C#N)c(=O)[n-]c2=O)CCCC1	ZINC001362716593	928403304	/nfs/dbraw/zinc/40/33/04/928403304.db2.gz	UXOHLGSZMUUWMK-UHFFFAOYSA-N	-1	0	290.323	0.660	20	30		CCEDRM
N#CC1CCC(CNC(=O)CCCc2nnn[n-]2)CC1	ZINC001362727303	928416752	/nfs/dbraw/zinc/41/67/52/928416752.db2.gz	QIEKWYWNJQFHGU-UHFFFAOYSA-N	-1	0	276.344	0.969	20	30		CCEDRM
N#Cc1ccc2c(c1)C[C@H](NC(=O)c1n[nH]c(=O)[n-]c1=O)C2	ZINC001363196914	928966416	/nfs/dbraw/zinc/96/64/16/928966416.db2.gz	OSATUGMOCZZWFS-SNVBAGLBSA-N	-1	0	297.274	0.052	20	30		CCEDRM
COc1ncc(NC(=O)c2c[n-]ncc2=O)cc1C#N	ZINC001363306045	929096506	/nfs/dbraw/zinc/09/65/06/929096506.db2.gz	AYVRTTNWYANFCG-UHFFFAOYSA-N	-1	0	271.236	0.710	20	30		CCEDRM
N#Cc1ccc2c(c1)C[C@H](NC(=O)CCCc1nnn[n-]1)C2	ZINC001363519464	929325031	/nfs/dbraw/zinc/32/50/31/929325031.db2.gz	VSVPEEBPGHUTQE-CYBMUJFWSA-N	-1	0	296.334	0.678	20	30		CCEDRM
N#Cc1ccc2c(c1)CN(C(=O)Cn1c(=O)[n-][nH]c1=O)C2	ZINC001363574204	929379805	/nfs/dbraw/zinc/37/98/05/929379805.db2.gz	VSUZRHHFBIEWNV-UHFFFAOYSA-N	-1	0	285.263	0.103	20	30		CCEDRM
CC[C@@](C)(NC(=O)c1[n-]c(=O)c(C#N)cc1C)C(N)=O	ZINC001363648201	929451362	/nfs/dbraw/zinc/45/13/62/929451362.db2.gz	FHDISEJSIMXWPP-CYBMUJFWSA-N	-1	0	276.296	0.351	20	30		CCEDRM
CCN(CCNC(=O)c1[nH]nc(C)c1[O-])C(=O)[C@H](C)C#N	ZINC001373792247	930343113	/nfs/dbraw/zinc/34/31/13/930343113.db2.gz	BPHGKIIIQIZVOH-MRVPVSSYSA-N	-1	0	293.327	0.162	20	30		CCEDRM
C=C[C@@H](COC)NC(=O)c1cccc(-c2nc(=O)o[n-]2)c1	ZINC001448103874	930819456	/nfs/dbraw/zinc/81/94/56/930819456.db2.gz	WXJBJFCHIRVZLV-NSHDSACASA-N	-1	0	289.291	0.961	20	30		CCEDRM
Cc1cc(NC(=O)CCC(=O)[O-])nn1CCC#N	ZINC001600256038	970785396	/nfs/dbraw/zinc/78/53/96/970785396.db2.gz	VPNAAPVCJMNGTO-UHFFFAOYSA-N	-1	0	250.258	0.909	20	30		CCEDRM
O=C([O-])CCc1cccc(NC(=O)NCC#CCO)c1	ZINC001602041709	971126645	/nfs/dbraw/zinc/12/66/45/971126645.db2.gz	KGNVZOKPNHDJCA-UHFFFAOYSA-N	-1	0	276.292	0.821	20	30		CCEDRM
C#CCN(CC#CC)C(=O)[C@@H]1CO[C@@H](CCC(=O)[O-])C1	ZINC001602679521	971260279	/nfs/dbraw/zinc/26/02/79/971260279.db2.gz	RMXXCTCZKMFWEY-STQMWFEESA-N	-1	0	277.320	0.741	20	30		CCEDRM
C#CCN(CC(=O)[O-])C(=O)[C@@H]1CCCC[C@@H]1OC	ZINC001602681985	971264317	/nfs/dbraw/zinc/26/43/17/971264317.db2.gz	CLDXRRXEBZTXSI-MNOVXSKESA-N	-1	0	253.298	0.738	20	30		CCEDRM
C#CCN(CC(=O)[O-])C(=O)CCCOC1CCOCC1	ZINC001602682072	971264393	/nfs/dbraw/zinc/26/43/93/971264393.db2.gz	FIBFOFOUDWNGCK-UHFFFAOYSA-N	-1	0	283.324	0.509	20	30		CCEDRM
C#CCN(CC(=O)[O-])C(=O)Cc1nc(C)sc1C	ZINC001602684110	971278674	/nfs/dbraw/zinc/27/86/74/971278674.db2.gz	QWAWWLAJMRGZQZ-UHFFFAOYSA-N	-1	0	266.322	0.849	20	30		CCEDRM
C#CCN(CC(=O)[O-])C(=O)NCCc1c(C)noc1C	ZINC001602686041	971285275	/nfs/dbraw/zinc/28/52/75/971285275.db2.gz	OTWUMZUKAXCZTR-UHFFFAOYSA-N	-1	0	279.296	0.563	20	30		CCEDRM
C#CCN(CC(=O)[O-])C(=O)Nc1c(C)cncc1[N+](=O)[O-]	ZINC001602688561	971291597	/nfs/dbraw/zinc/29/15/97/971291597.db2.gz	PTYMWVHQUXODKN-UHFFFAOYSA-N	-1	0	292.251	0.272	20	30		CCEDRM
C#CCN(CC(=O)[O-])C(=O)c1cccc2c1NC(=O)CO2	ZINC001602692037	971299822	/nfs/dbraw/zinc/29/98/22/971299822.db2.gz	BVKRGAMOYGCODS-UHFFFAOYSA-N	-1	0	288.259	0.178	20	30		CCEDRM
C#CCN(CC(=O)[O-])C(=O)c1ccnc(C2CC2)n1	ZINC001602692521	971302817	/nfs/dbraw/zinc/30/28/17/971302817.db2.gz	SCIJMLCXVJTITL-UHFFFAOYSA-N	-1	0	259.265	0.514	20	30		CCEDRM
C#CCN(CC(=O)[O-])C(=O)c1cnc2ccccn21	ZINC001602692450	971302930	/nfs/dbraw/zinc/30/29/30/971302930.db2.gz	PTSQMWKPKDFBAH-UHFFFAOYSA-N	-1	0	257.249	0.494	20	30		CCEDRM
C#CCN(CC(=O)[O-])C(=O)c1ccnn1CC1CCC1	ZINC001602692732	971305143	/nfs/dbraw/zinc/30/51/43/971305143.db2.gz	XYLVGZFEJMNAPR-UHFFFAOYSA-N	-1	0	275.308	0.843	20	30		CCEDRM
C#CCN(CC(=O)[O-])[C@@H](C(=O)N(C)C)c1ccccc1	ZINC001602695839	971312482	/nfs/dbraw/zinc/31/24/82/971312482.db2.gz	VLIUFMGWSVFCJZ-CQSZACIVSA-N	-1	0	274.320	0.836	20	30		CCEDRM
C#CCN(CC(=O)[O-])c1nnc(C(C)(C)COC)n1CC	ZINC001602699074	971314633	/nfs/dbraw/zinc/31/46/33/971314633.db2.gz	HJWYOOZODLOVBW-UHFFFAOYSA-N	-1	0	294.355	0.746	20	30		CCEDRM
C#CCN(CC(=O)[O-])c1nnnn1C[C@@H]1C[C@@H](C)O[C@@H]1C	ZINC001602700605	971318881	/nfs/dbraw/zinc/31/88/81/971318881.db2.gz	ATKLQNROTSVEQE-MXWKQRLJSA-N	-1	0	293.327	0.011	20	30		CCEDRM
C#CCN1CCN(C(=O)c2coc(/C=C/C(=O)[O-])c2)CC1	ZINC001602702095	971330257	/nfs/dbraw/zinc/33/02/57/971330257.db2.gz	ICURJZMNLRLXKS-ONEGZZNKSA-N	-1	0	288.303	0.768	20	30		CCEDRM
C#CCOc1cc(F)ccc1NC(=O)[C@H](OC)C(=O)[O-]	ZINC001602702693	971331635	/nfs/dbraw/zinc/33/16/35/971331635.db2.gz	QHYLNXFWOZGWSP-NSHDSACASA-N	-1	0	281.239	0.876	20	30		CCEDRM
C#CCn1cc(CNC(=O)[C@H](C(=O)[O-])C2CC2)cn1	ZINC001602704570	971335191	/nfs/dbraw/zinc/33/51/91/971335191.db2.gz	LKQYQXMLJHVVPS-LLVKDONJSA-N	-1	0	261.281	0.243	20	30		CCEDRM
C=C(CCC(=O)OC)C(=O)N(C)[C@H](CC)C(=O)[O-]	ZINC001602712207	971354313	/nfs/dbraw/zinc/35/43/13/971354313.db2.gz	KGNUGNGDHDMUHY-SECBINFHSA-N	-1	0	257.286	0.817	20	30		CCEDRM
C=C[C@@H](O)c1nnc(N2CC[C@](C)(C(=O)[O-])C2)n1CC	ZINC001602717131	971363535	/nfs/dbraw/zinc/36/35/35/971363535.db2.gz	AGFNMVKMRPEXPL-RNCFNFMXSA-N	-1	0	280.328	0.818	20	30		CCEDRM
C=CC[C@@H](NC(=O)CCCC(=O)[O-])C(=O)OCC	ZINC001602718298	971374195	/nfs/dbraw/zinc/37/41/95/971374195.db2.gz	JLMBAOSSYOUECH-SECBINFHSA-N	-1	0	257.286	0.865	20	30		CCEDRM
C=CC[C@@H](C(=O)OC)N(CCOC)CCC(=O)[O-]	ZINC001602718708	971376249	/nfs/dbraw/zinc/37/62/49/971376249.db2.gz	SSFMEWFCMXUROY-JTQLQIEISA-N	-1	0	259.302	0.527	20	30		CCEDRM
COC[C@](C)(NCC(=O)Nc1sccc1C#N)C(=O)[O-]	ZINC000328574210	971509713	/nfs/dbraw/zinc/50/97/13/971509713.db2.gz	WPLABKXTZSYFHY-LBPRGKRZSA-N	-1	0	297.336	0.638	20	30		CCEDRM
C[C@@](C#N)(CC(=O)[O-])C(=O)N1CCC[C@@H](CO)CC1	ZINC001602778259	971511565	/nfs/dbraw/zinc/51/15/65/971511565.db2.gz	FCCJALHSZKQEQG-MFKMUULPSA-N	-1	0	268.313	0.612	20	30		CCEDRM
CC[C@@H](NS(=O)(=O)c1ccc(CC#N)cc1)C(=O)[O-]	ZINC000092130693	949140023	/nfs/dbraw/zinc/14/00/23/949140023.db2.gz	QJUBCKKCYUNNOR-LLVKDONJSA-N	-1	0	282.321	0.894	20	30		CCEDRM
C#CCN(CC(=O)[O-])S(=O)(=O)c1ccccc1OC	ZINC000092480114	949151693	/nfs/dbraw/zinc/15/16/93/949151693.db2.gz	FRGASGCALCXEKW-UHFFFAOYSA-N	-1	0	283.305	0.404	20	30		CCEDRM
C#CCN(CC(=O)[O-])Cc1c(Cl)c(C)nn1C	ZINC000092484732	949159533	/nfs/dbraw/zinc/15/95/33/949159533.db2.gz	LBXYENZHHMPFQD-UHFFFAOYSA-N	-1	0	255.705	0.902	20	30		CCEDRM
CC[C@]1(O)CCCN(C(=O)[C@](C)(C#N)CC(=O)[O-])C1	ZINC001589612943	949341302	/nfs/dbraw/zinc/34/13/02/949341302.db2.gz	BHCTWNQQLJVZTR-STQMWFEESA-N	-1	0	268.313	0.754	20	30		CCEDRM
CCC[C@H](C#N)NC(=O)c1cccn(CC(=O)[O-])c1=O	ZINC001589630994	949538593	/nfs/dbraw/zinc/53/85/93/949538593.db2.gz	VQMHTYWAUJHPHK-SECBINFHSA-N	-1	0	277.280	0.355	20	30		CCEDRM
C#CCN(CC(=O)[O-])C(=O)NCC[C@@H]1CCCCO1	ZINC000223648327	949569581	/nfs/dbraw/zinc/56/95/81/949569581.db2.gz	UKKQLDUSHPLXQZ-NSHDSACASA-N	-1	0	268.313	0.675	20	30		CCEDRM
CCCN(CC(=O)[O-])CC(=O)NC1(C#N)CCC1	ZINC001589667592	949907491	/nfs/dbraw/zinc/90/74/91/949907491.db2.gz	CYFNWUZTCBDPFV-UHFFFAOYSA-N	-1	0	253.302	0.345	20	30		CCEDRM
CCO[C@H]1C[C@@H](NC(=O)[C@](C)(C#N)CC(=O)[O-])C1	ZINC001592003511	951283622	/nfs/dbraw/zinc/28/36/22/951283622.db2.gz	GGIAOVPFBMITQS-SBMIAAHKSA-N	-1	0	254.286	0.675	20	30		CCEDRM
CCO[C@H]1C[C@@H](NC(=O)[C@@](C)(C#N)CC(=O)[O-])C1	ZINC001592003513	951283911	/nfs/dbraw/zinc/28/39/11/951283911.db2.gz	GGIAOVPFBMITQS-VDDIYKPWSA-N	-1	0	254.286	0.675	20	30		CCEDRM
CC[C@H](NC(=O)C(=O)Nc1cccc(C#N)c1)C(=O)[O-]	ZINC001593614723	953493653	/nfs/dbraw/zinc/49/36/53/953493653.db2.gz	GDZVDLJOXQQGME-JTQLQIEISA-N	-1	0	275.264	0.476	20	30		CCEDRM
C[C@@H]1CCN(C(=O)[C@](C)(C#N)CC(=O)[O-])CC[S@]1=O	ZINC001589335959	953993105	/nfs/dbraw/zinc/99/31/05/953993105.db2.gz	IJKFAOHTRCFKCC-JNGGQTBLSA-N	-1	0	286.353	0.360	20	30		CCEDRM
C[C@@H]1CCN(C(=O)[C@@](C)(C#N)CC(=O)[O-])C[C@H]1CO	ZINC001589336424	953995590	/nfs/dbraw/zinc/99/55/90/953995590.db2.gz	LCBPUVIIHSXUQD-GBIKHYSHSA-N	-1	0	268.313	0.468	20	30		CCEDRM
O=C([O-])C1(C(=O)NCC#C[C@H]2CCCCO2)CCOCC1	ZINC001594855204	954223872	/nfs/dbraw/zinc/22/38/72/954223872.db2.gz	HMDAYOJMOKCWOL-GFCCVEGCSA-N	-1	0	295.335	0.557	20	30		CCEDRM
CN(CC(C)(C)C#N)C(=O)C1(C(=O)[O-])CCOCC1	ZINC001593724132	954269875	/nfs/dbraw/zinc/26/98/75/954269875.db2.gz	MCIBUXAVIJWTST-UHFFFAOYSA-N	-1	0	268.313	0.876	20	30		CCEDRM
CN(CCC#N)S(=O)(=O)NCc1ccccc1C(=O)[O-]	ZINC001593728852	954303015	/nfs/dbraw/zinc/30/30/15/954303015.db2.gz	RTKXGUQEQMPVOV-UHFFFAOYSA-N	-1	0	297.336	0.565	20	30		CCEDRM
CN(CCS(=O)(=O)CC(=O)[O-])[C@H]1CCC[C@H]1C#N	ZINC001593754729	954442862	/nfs/dbraw/zinc/44/28/62/954442862.db2.gz	YHYLMRKFJMFNQW-UWVGGRQHSA-N	-1	0	274.342	0.110	20	30		CCEDRM
C[NH+]1CCC(O[N-]C(=O)[C@@](C)(C#N)CC(=O)[O-])CC1	ZINC001593777685	954610042	/nfs/dbraw/zinc/61/00/42/954610042.db2.gz	FRGRBFNKHYYURC-GFCCVEGCSA-N	-1	0	269.301	0.133	20	30		CCEDRM
COC(=O)CCN(CC#N)C(=O)[C@H](C(=O)[O-])C(C)(C)C	ZINC001593835851	955180192	/nfs/dbraw/zinc/18/01/92/955180192.db2.gz	JBONLWPLVFPIPV-SNVBAGLBSA-N	-1	0	284.312	0.649	20	30		CCEDRM
Cc1onc(CC(=O)N2C[C@H](C(=O)[O-])C[C@H](C)C2)c1C#N	ZINC001594510164	955379133	/nfs/dbraw/zinc/37/91/33/955379133.db2.gz	FRLZHEUZQABUNH-WCBMZHEXSA-N	-1	0	291.307	0.966	20	30		CCEDRM
C[C@@H](CNC(=O)[C@](C)(C#N)CC(=O)[O-])c1nncn1C	ZINC001589039779	955584528	/nfs/dbraw/zinc/58/45/28/955584528.db2.gz	JCMFWVOQUKUUFQ-UFBFGSQYSA-N	-1	0	279.300	0.039	20	30		CCEDRM
COC(=O)c1cc(C=NNCCC(=O)[O-])[nH]c1C	ZINC001593868812	955610899	/nfs/dbraw/zinc/61/08/99/955610899.db2.gz	DYJPHGNSSNTNFA-UHFFFAOYSA-N	-1	0	253.258	0.508	20	30		CCEDRM
N#CC1(COC(=O)c2ccc(C(=O)[O-])cn2)COC1	ZINC001594603109	956154005	/nfs/dbraw/zinc/15/40/05/956154005.db2.gz	XFSSYNMNHFZTFH-UHFFFAOYSA-N	-1	0	262.221	0.477	20	30		CCEDRM
N#CCC1CCN(C(=O)C(=O)N2CC[C@@H](C(=O)[O-])C2)CC1	ZINC001594605808	956172471	/nfs/dbraw/zinc/17/24/71/956172471.db2.gz	JBDOXSOGTZMEOO-LLVKDONJSA-N	-1	0	293.323	0.072	20	30		CCEDRM
N#CC[C@@H](OC(=O)[C@@H]1CCCN(CC(=O)[O-])C1=O)C1CC1	ZINC001594606113	956177679	/nfs/dbraw/zinc/17/76/79/956177679.db2.gz	OYNTYTQJNFMWSL-GHMZBOCLSA-N	-1	0	294.307	0.545	20	30		CCEDRM
N#CC[C@]1(O)CCN(C(=O)NC[C@H](C(=O)[O-])C2CCC2)C1	ZINC001594606601	956184903	/nfs/dbraw/zinc/18/49/03/956184903.db2.gz	WXGHVYDLCZNGTF-FZMZJTMJSA-N	-1	0	295.339	0.547	20	30		CCEDRM
N#CCNCc1cn(Cc2cccc(C(=O)[O-])c2)nn1	ZINC001594610294	956201392	/nfs/dbraw/zinc/20/13/92/956201392.db2.gz	UQXQQHTXKFMCKF-UHFFFAOYSA-N	-1	0	271.280	0.638	20	30		CCEDRM
N#CCN1CCC(NC(=O)[C@@H]2CC[C@H]2C(=O)[O-])CC1	ZINC001594610301	956201681	/nfs/dbraw/zinc/20/16/81/956201681.db2.gz	USTKKJRLVBTOEH-GHMZBOCLSA-N	-1	0	265.313	0.201	20	30		CCEDRM
N#CCc1ccccc1CC(=O)N1CC(C(=O)[O-])C1	ZINC001594610975	956210069	/nfs/dbraw/zinc/21/00/69/956210069.db2.gz	KEYABSZBNOYAEX-UHFFFAOYSA-N	-1	0	258.277	0.838	20	30		CCEDRM
N#CCc1ccccc1CC(=O)N[C@@]1(C(=O)[O-])CCOC1	ZINC001594611314	956213722	/nfs/dbraw/zinc/21/37/22/956213722.db2.gz	RMFDPAHEHDLSNJ-HNNXBMFYSA-N	-1	0	288.303	0.655	20	30		CCEDRM
N#Cc1ccc(C(=O)N[C@]2(C(=O)[O-])CCOC2)o1	ZINC001594618004	956258135	/nfs/dbraw/zinc/25/81/35/956258135.db2.gz	XHTRUFZMUPGYGM-LLVKDONJSA-N	-1	0	250.210	0.125	20	30		CCEDRM
CO[C@]1(CN=Nc2ncccc2C(=O)[O-])CCOC1	ZINC001593943903	956306701	/nfs/dbraw/zinc/30/67/01/956306701.db2.gz	UXQXTYHPIBHKOF-LBPRGKRZSA-N	-1	0	265.269	0.983	20	30		CCEDRM
N#Cc1ccc(S(=O)(=O)NC2(C(=O)[O-])CCCC2)nc1	ZINC001594625341	956308160	/nfs/dbraw/zinc/30/81/60/956308160.db2.gz	NDSDNMYZHJONSJ-UHFFFAOYSA-N	-1	0	295.320	0.629	20	30		CCEDRM
C[C@H](OC(=O)CCC(=O)[O-])C(=O)NC1(C#N)CCC1	ZINC001589155579	956370921	/nfs/dbraw/zinc/37/09/21/956370921.db2.gz	IMDWNIONRYVCNL-QMMMGPOBSA-N	-1	0	268.269	0.345	20	30		CCEDRM
CO[C@@H]1CCN(C(=O)[C@@](C)(C#N)CC(=O)[O-])C[C@H]1C	ZINC001593950339	956373422	/nfs/dbraw/zinc/37/34/22/956373422.db2.gz	VSKVNZIGCFMHIP-GIPNMCIBSA-N	-1	0	268.313	0.874	20	30		CCEDRM
COCC#CC(=O)N[C@H](C)[C@@H]1C[C@H](C(=O)[O-])C1(C)C	ZINC001593951058	956385080	/nfs/dbraw/zinc/38/50/80/956385080.db2.gz	KQQOBQWVCPPHRC-OUAUKWLOSA-N	-1	0	267.325	0.888	20	30		CCEDRM
CC1(C#N)CCN(C(=O)[C@]2(C(=O)[O-])CCCO2)CC1	ZINC001589181305	956521782	/nfs/dbraw/zinc/52/17/82/956521782.db2.gz	FHHOHJLWMCCZTK-ZDUSSCGKSA-N	-1	0	266.297	0.772	20	30		CCEDRM
C[C@H](CC#N)OC(=O)c1cccn(CC(=O)[O-])c1=O	ZINC001603119196	972200635	/nfs/dbraw/zinc/20/06/35/972200635.db2.gz	SYLGHCYHRNZHBM-MRVPVSSYSA-N	-1	0	264.237	0.392	20	30		CCEDRM
COC[C@]1(C(=O)[O-])CN(Cc2ccc(C#N)cc2)CCO1	ZINC001593984503	956750215	/nfs/dbraw/zinc/75/02/15/956750215.db2.gz	QIEPTUWCDHAMSJ-HNNXBMFYSA-N	-1	0	290.319	0.860	20	30		CCEDRM
COCCN(CC#N)C(=O)/C=C/c1ccc(C(=O)[O-])o1	ZINC001593995638	956889948	/nfs/dbraw/zinc/88/99/48/956889948.db2.gz	LDGSPNPSJZNHJD-HWKANZROSA-N	-1	0	278.264	0.990	20	30		CCEDRM
COCCN(CCC(=O)[O-])C(=O)c1c[nH]c(C#N)c1	ZINC001594006734	956979363	/nfs/dbraw/zinc/97/93/63/956979363.db2.gz	ITYGDGMEQIYKFN-UHFFFAOYSA-N	-1	0	265.269	0.450	20	30		CCEDRM
C[C@@H](CN(C)C(=O)C(=O)N1CCC(C)(C#N)CC1)C(=O)[O-]	ZINC001603144769	972240657	/nfs/dbraw/zinc/24/06/57/972240657.db2.gz	FRGHJOURLNTHRP-JTQLQIEISA-N	-1	0	295.339	0.318	20	30		CCEDRM
COCC[C@H](NC(=O)c1cccc(C#N)c1)C(=O)[O-]	ZINC000052783863	957511062	/nfs/dbraw/zinc/51/10/62/957511062.db2.gz	ZKKSNZUCXPWANC-NSHDSACASA-N	-1	0	262.265	0.778	20	30		CCEDRM
COc1ccc(C(=O)[O-])cc1S(=O)(=O)NCCCC#N	ZINC000054137509	957522049	/nfs/dbraw/zinc/52/20/49/957522049.db2.gz	CPEFNMDPMMHFSR-UHFFFAOYSA-N	-1	0	298.320	0.975	20	30		CCEDRM
N#Cc1ncn(CCOc2cccc(C(=O)[O-])c2)n1	ZINC000059880628	957564617	/nfs/dbraw/zinc/56/46/17/957564617.db2.gz	QAZONTGHJAUMEP-UHFFFAOYSA-N	-1	0	258.237	0.927	20	30		CCEDRM
N#CCCNC(=O)CN1Cc2ccccc2C[C@@H]1C(=O)[O-]	ZINC000061448935	957580998	/nfs/dbraw/zinc/58/09/98/957580998.db2.gz	DJPANPWLVWEDTP-CYBMUJFWSA-N	-1	0	287.319	0.528	20	30		CCEDRM
Cc1cc(C#N)cc(C)c1CC(=O)OCC(=O)C(=O)[O-]	ZINC001594274106	957702531	/nfs/dbraw/zinc/70/25/31/957702531.db2.gz	QRJZBORQIJLPBI-UHFFFAOYSA-N	-1	0	275.260	0.915	20	30		CCEDRM
C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)COCC(=O)[O-]	ZINC001332187871	957751703	/nfs/dbraw/zinc/75/17/03/957751703.db2.gz	SQRGRLLLGUVYOK-SKDRFNHKSA-N	-1	0	257.286	0.185	20	30		CCEDRM
C[C@H](CNS(=O)(=O)Cc1csc(C#N)c1)C(=O)[O-]	ZINC001603193696	972299015	/nfs/dbraw/zinc/29/90/15/972299015.db2.gz	QHUSQBDNWUOKSO-SSDOTTSWSA-N	-1	0	288.350	0.760	20	30		CCEDRM
CON=CC(=O)NC[C@@](C)(C(=O)[O-])c1ccccc1	ZINC001594042702	957892303	/nfs/dbraw/zinc/89/23/03/957892303.db2.gz	XUSVKXYZJQNGKQ-CYBMUJFWSA-N	-1	0	264.281	0.777	20	30		CCEDRM
C#CC1(O)CCN(C(=O)[C@@]2(C(=O)[O-])CC2(C)C)CC1	ZINC001588385305	957969371	/nfs/dbraw/zinc/96/93/71/957969371.db2.gz	CSTGJCKSGUIFGI-CQSZACIVSA-N	-1	0	265.309	0.474	20	30		CCEDRM
C#C[C@H](CC)OC(=O)c1cccn(CC(=O)[O-])c1=O	ZINC001588386468	957977807	/nfs/dbraw/zinc/97/78/07/957977807.db2.gz	APMLDTCHYZZDST-SECBINFHSA-N	-1	0	263.249	0.502	20	30		CCEDRM
C#C[C@H](NC(=O)c1cc(C(=O)[O-])nn1C)C(C)(C)C	ZINC001588387220	957985903	/nfs/dbraw/zinc/98/59/03/957985903.db2.gz	ZNFBFCOVEATMHH-JTQLQIEISA-N	-1	0	263.297	0.896	20	30		CCEDRM
C#C[C@H](NC(=O)CSCC(=O)[O-])C1CCOCC1	ZINC001588388208	957991299	/nfs/dbraw/zinc/99/12/99/957991299.db2.gz	QBXXMAMYMKYNHV-JTQLQIEISA-N	-1	0	271.338	0.349	20	30		CCEDRM
C#CC[C@@H](OC(=O)[C@H](OC)C(=O)[O-])c1ccccn1	ZINC001588388486	957994707	/nfs/dbraw/zinc/99/47/07/957994707.db2.gz	BBQJNNGYEXHNPR-GHMZBOCLSA-N	-1	0	263.249	0.789	20	30		CCEDRM
C#CCCCCNC(=O)N1CCO[C@](COC)(C(=O)[O-])C1	ZINC001588390702	958011884	/nfs/dbraw/zinc/01/18/84/958011884.db2.gz	CFANRFKTIFTGFO-CQSZACIVSA-N	-1	0	298.339	0.302	20	30		CCEDRM
C#CCCN(CCOC)C(=O)[C@H]1CO[C@@H](CCC(=O)[O-])C1	ZINC001588390782	958013511	/nfs/dbraw/zinc/01/35/11/958013511.db2.gz	IGWNOZVLEDAXSZ-OLZOCXBDSA-N	-1	0	297.351	0.755	20	30		CCEDRM
C#CCC[C@H](O)CNC(=O)[C@@H]1CO[C@H](CCC(=O)[O-])C1	ZINC001588391390	958022198	/nfs/dbraw/zinc/02/21/98/958022198.db2.gz	GXJQVYJIFCROJN-SDDRHHMPSA-N	-1	0	283.324	0.147	20	30		CCEDRM
Cc1cc(F)c(C#N)cc1NCC(=O)NCC(=O)[O-]	ZINC001594311160	958023289	/nfs/dbraw/zinc/02/32/89/958023289.db2.gz	YKQQKUQPTQWFEB-UHFFFAOYSA-N	-1	0	265.244	0.619	20	30		CCEDRM
Cc1cc(F)cc(C#N)c1S(=O)(=O)N[C@@H](C)C(=O)[O-]	ZINC001594311947	958040472	/nfs/dbraw/zinc/04/04/72/958040472.db2.gz	NHWUZEQBJNNNAQ-ZETCQYMHSA-N	-1	0	286.284	0.757	20	30		CCEDRM
C#CCN(CC#N)C(=O)/C=C/c1ccc(C(=O)[O-])o1	ZINC001588396218	958048008	/nfs/dbraw/zinc/04/80/08/958048008.db2.gz	WUZPDBBASDHTKC-GQCTYLIASA-N	-1	0	258.233	0.976	20	30		CCEDRM
C#CCN(CC(=O)[O-])C(=O)[C@H]1CCCN1c1nccs1	ZINC001588399235	958071797	/nfs/dbraw/zinc/07/17/97/958071797.db2.gz	HPNLJYUPMGSXJF-SNVBAGLBSA-N	-1	0	293.348	0.658	20	30		CCEDRM
C#CCN(CC(=O)[O-])C(=O)CCC(=O)OC(C)(C)C	ZINC001588402273	958090732	/nfs/dbraw/zinc/09/07/32/958090732.db2.gz	PKAXACUNTMWGQF-UHFFFAOYSA-N	-1	0	269.297	0.655	20	30		CCEDRM
C[C@H](Oc1ccccc1C#N)C(=O)NC[C@@](C)(O)C(=O)[O-]	ZINC000090275369	958106900	/nfs/dbraw/zinc/10/69/00/958106900.db2.gz	IVMPGUSZFDJZJG-LKFCYVNXSA-N	-1	0	292.291	0.277	20	30		CCEDRM
C#CCN(CC(=O)[O-])C(=O)NCC[C@H]1CCO[C@@H](C)C1	ZINC001588408693	958116272	/nfs/dbraw/zinc/11/62/72/958116272.db2.gz	ZDSSAYGTEDGNSB-RYUDHWBXSA-N	-1	0	282.340	0.921	20	30		CCEDRM
C#CCN(CC(=O)[O-])C(=O)NCc1cc(C#N)ccc1F	ZINC001588408827	958117789	/nfs/dbraw/zinc/11/77/89/958117789.db2.gz	HENGYCQJCKRJHF-UHFFFAOYSA-N	-1	0	289.266	0.927	20	30		CCEDRM
C#CCN(CC(=O)[O-])C(=O)N[C@H]1C[N@H+](C2CC2)C[C@@H]1C	ZINC001588410136	958135866	/nfs/dbraw/zinc/13/58/66/958135866.db2.gz	PLEULUOQXTTYFA-JQWIXIFHSA-N	-1	0	279.340	0.199	20	30		CCEDRM
C#CCN(CC(=O)[O-])C(=O)Nc1ccnn1CC1CC1	ZINC001588412652	958152132	/nfs/dbraw/zinc/15/21/32/958152132.db2.gz	HFUQTXACROAJPB-UHFFFAOYSA-N	-1	0	276.296	0.845	20	30		CCEDRM
C#CCN(CC(=O)[O-])C(=O)c1cnn(CCC#N)c1C	ZINC001588418732	958184826	/nfs/dbraw/zinc/18/48/26/958184826.db2.gz	PZJCGDBSEFQUDK-UHFFFAOYSA-N	-1	0	274.280	0.265	20	30		CCEDRM
C#CCN(CC(=O)[O-])C(=O)c1cccc(NC(=O)C=C)c1	ZINC001588419171	958192917	/nfs/dbraw/zinc/19/29/17/958192917.db2.gz	VVDFYJVQWYNDKC-UHFFFAOYSA-N	-1	0	286.287	0.971	20	30		CCEDRM
C#CCN(CC(=O)[O-])C[C@@H]1CCC[C@@]2(CCOC2)O1	ZINC001588423630	958205445	/nfs/dbraw/zinc/20/54/45/958205445.db2.gz	AAIJWKLZQWHOQY-JSGCOSHPSA-N	-1	0	267.325	0.734	20	30		CCEDRM
C#CCN(CC(=O)[O-])Cc1cnc2ccc(C#N)cn12	ZINC001588425357	958225132	/nfs/dbraw/zinc/22/51/32/958225132.db2.gz	OVRPNOQJKFUYMJ-UHFFFAOYSA-N	-1	0	268.276	0.726	20	30		CCEDRM
C#CCNC(=O)C1CCN(C(=O)N[C@@H](C)CC(=O)[O-])CC1	ZINC001588430793	958260132	/nfs/dbraw/zinc/26/01/32/958260132.db2.gz	OOEOQOSZUXWHAY-JTQLQIEISA-N	-1	0	295.339	0.021	20	30		CCEDRM
C#CCN1CCCN(C(=O)[C@H](C(=O)[O-])C(C)C)CC1	ZINC001588431258	958265812	/nfs/dbraw/zinc/26/58/12/958265812.db2.gz	VKZHLJHXNGPQBL-GFCCVEGCSA-N	-1	0	266.341	0.511	20	30		CCEDRM
C#CCOc1ccc(CNC(=O)[C@H](OC)C(=O)[O-])cc1	ZINC001588433360	958296133	/nfs/dbraw/zinc/29/61/33/958296133.db2.gz	KAVFCLCRIDWASJ-LBPRGKRZSA-N	-1	0	277.276	0.414	20	30		CCEDRM
C#CCOc1ccc(NC(=O)[C@H]2CC(C(=O)[O-])=NO2)cc1	ZINC001588434028	958303979	/nfs/dbraw/zinc/30/39/79/958303979.db2.gz	YCSYRURVBFTQSK-GFCCVEGCSA-N	-1	0	288.259	0.867	20	30		CCEDRM
C=C(C)CN(C)C(=O)C(=O)N[C@H]1C[C@H](C(=O)[O-])C1	ZINC001588441006	958332325	/nfs/dbraw/zinc/33/23/25/958332325.db2.gz	BQZHWKREKSKLRA-KYZUINATSA-N	-1	0	254.286	0.000	20	30		CCEDRM
C=C(C)[C@H]1OCC[C@H]1CNC(=O)c1cc(C(=O)[O-])n[nH]1	ZINC001588443196	958352831	/nfs/dbraw/zinc/35/28/31/958352831.db2.gz	ZDSXJCJCQLOZLC-GZMMTYOYSA-N	-1	0	279.296	0.819	20	30		CCEDRM
C=CC(C)(C)CC(=O)N1CCO[C@](COC)(C(=O)[O-])C1	ZINC001588450336	958390010	/nfs/dbraw/zinc/39/00/10/958390010.db2.gz	FOIDWKIDJRNREQ-CQSZACIVSA-N	-1	0	285.340	0.917	20	30		CCEDRM
C=C[C@H](C(=O)OC)N1CC[C@](COC)(C(=O)[O-])C1	ZINC001588450396	958392403	/nfs/dbraw/zinc/39/24/03/958392403.db2.gz	IMEMDBFXFHNGTN-SKDRFNHKSA-N	-1	0	257.286	0.137	20	30		CCEDRM
C=C[C@H](OC(=O)c1ccc(C(=O)[O-])cn1)C(=O)OC	ZINC001588452671	958425701	/nfs/dbraw/zinc/42/57/01/958425701.db2.gz	QINOGXNQIAQBRP-VIFPVBQESA-N	-1	0	265.221	0.664	20	30		CCEDRM
C=CC[C@@H](CO)NC(=O)[C@H](C(=O)[O-])C1CCCC1	ZINC001588453124	958431524	/nfs/dbraw/zinc/43/15/24/958431524.db2.gz	OAXQLGYHJXQWCR-WDEREUQCSA-N	-1	0	255.314	0.931	20	30		CCEDRM
C=C[C@H](O)C(=O)OCCOc1ccccc1C(=O)[O-]	ZINC001588453432	958437677	/nfs/dbraw/zinc/43/76/77/958437677.db2.gz	ZBZOHHUURLKOTF-JTQLQIEISA-N	-1	0	266.249	0.854	20	30		CCEDRM
C=CCC[C@@H](CO)NC(=O)[C@@]1(C(=O)[O-])CC1(C)C	ZINC001588457268	958447584	/nfs/dbraw/zinc/44/75/84/958447584.db2.gz	SDUCHJGJEQMJPY-TVQRCGJNSA-N	-1	0	255.314	0.931	20	30		CCEDRM
C#CCN(CC(=O)[O-])C(=O)[C@H]1CC[C@@H](C(=O)OC)C1	ZINC001573318370	958464541	/nfs/dbraw/zinc/46/45/41/958464541.db2.gz	VXZGUBISXYDPNG-VHSXEESVSA-N	-1	0	267.281	0.122	20	30		CCEDRM
C=CCCN(C)C(=O)[C@@H]1CCCN(CC(=O)[O-])C1=O	ZINC001588459858	958469984	/nfs/dbraw/zinc/46/99/84/958469984.db2.gz	IMWNRHAPCDYIFP-JTQLQIEISA-N	-1	0	268.313	0.344	20	30		CCEDRM
C=CCN1CCN(CN(C)[C@@H](CC)C(=O)[O-])C1=O	ZINC001588465386	958501531	/nfs/dbraw/zinc/50/15/31/958501531.db2.gz	HLSTWAYEKSDYGA-JTQLQIEISA-N	-1	0	255.318	0.663	20	30		CCEDRM
C=CCNC(=O)COC(=O)C1(CC(=O)[O-])CCC1	ZINC001588465682	958506339	/nfs/dbraw/zinc/50/63/39/958506339.db2.gz	XNCCVGSBBSDNSL-UHFFFAOYSA-N	-1	0	255.270	0.477	20	30		CCEDRM
C=CCN1CC[C@@H](OC(=O)c2cc(C(=O)[O-])nn2C)C1=O	ZINC001588465559	958506672	/nfs/dbraw/zinc/50/66/72/958506672.db2.gz	SRTMKPDUZVFDRT-SNVBAGLBSA-N	-1	0	293.279	0.062	20	30		CCEDRM
C=CCn1c([C@H](O)C2CC2)nnc1N1CC[C@@H](C(=O)[O-])C1	ZINC001588470363	958525037	/nfs/dbraw/zinc/52/50/37/958525037.db2.gz	LCPRJEDBKADEML-GHMZBOCLSA-N	-1	0	292.339	0.818	20	30		CCEDRM
C=CCn1c([C@H](C)O)nnc1N1CCC[C@H](C(=O)[O-])C1	ZINC001588475353	958562691	/nfs/dbraw/zinc/56/26/91/958562691.db2.gz	YUAGCZYAJJYAPW-UWVGGRQHSA-N	-1	0	280.328	0.818	20	30		CCEDRM
C=C[C@@H]1OCC[C@H]1CNC(=O)c1cc(C(=O)[O-])n[nH]1	ZINC001588478571	958569123	/nfs/dbraw/zinc/56/91/23/958569123.db2.gz	PCMWFMZVWCTXDU-XVKPBYJWSA-N	-1	0	265.269	0.429	20	30		CCEDRM
CC#CC[C@@H](CO)NC(=O)N[C@@H]1CC[C@H](C(=O)[O-])C1	ZINC001588478954	958574780	/nfs/dbraw/zinc/57/47/80/958574780.db2.gz	QPBPRZGHMKSIPO-AXFHLTTASA-N	-1	0	268.313	0.313	20	30		CCEDRM
C[C@@](C#N)(CC(=O)[O-])C(=O)N1CCC[C@@H]2COC[C@@H]21	ZINC001573360240	958591412	/nfs/dbraw/zinc/59/14/12/958591412.db2.gz	QJBBAIJZZKWDTO-NRUUGDAUSA-N	-1	0	266.297	0.628	20	30		CCEDRM
C[C@@](C#N)(CC(=O)[O-])C(=O)N[C@@]12CC[N@H+](C1)CCC2	ZINC001573362469	958598545	/nfs/dbraw/zinc/59/85/45/958598545.db2.gz	BRZUXXGITUTADJ-STQMWFEESA-N	-1	0	265.313	0.345	20	30		CCEDRM
C[C@](C#N)(CC(=O)[O-])C(=O)Nc1csc(C(N)=O)c1	ZINC001573364186	958612941	/nfs/dbraw/zinc/61/29/41/958612941.db2.gz	NPDHVGFCFOYWJV-LLVKDONJSA-N	-1	0	281.293	0.790	20	30		CCEDRM
C[C@](C#N)(CC(=O)[O-])C(=O)N1CC[C@H]2CC[C@@H](C1)[S@@]2=O	ZINC001588534962	958926621	/nfs/dbraw/zinc/92/66/21/958926621.db2.gz	LHDUMEQUGBRROZ-RWYULXOQSA-N	-1	0	298.364	0.503	20	30		CCEDRM
C[C@](C#N)(CC(=O)[O-])C(=O)N1CCO[C@H](CF)C1	ZINC001588538325	958940377	/nfs/dbraw/zinc/94/03/77/958940377.db2.gz	HENNXXWEBAFNHI-LDYMZIIASA-N	-1	0	258.249	0.188	20	30		CCEDRM
C[C@@](C#N)(CC(=O)[O-])C(=O)N1Cc2cccnc2C1	ZINC001588538005	958937807	/nfs/dbraw/zinc/93/78/07/958937807.db2.gz	BYAIUFSTOGKQAI-ZDUSSCGKSA-N	-1	0	259.265	0.928	20	30		CCEDRM
C[C@](C#N)(CC(=O)[O-])C(=O)N[C@@H]1CCC[C@@H]1CCO	ZINC001588539012	958950226	/nfs/dbraw/zinc/95/02/26/958950226.db2.gz	TWZPEPNSLFHJNT-GIPNMCIBSA-N	-1	0	268.313	0.658	20	30		CCEDRM
C[C@H](C#N)CN(CN1C[C@H](C(=O)[O-])CC1=O)C1CC1	ZINC001588542894	958974230	/nfs/dbraw/zinc/97/42/30/958974230.db2.gz	FOYKSYOSUUMJFV-NXEZZACHSA-N	-1	0	265.313	0.501	20	30		CCEDRM
C[C@@H](C#N)C(=O)NC[C@H]1CCC2(CC(C(=O)[O-])C2)O1	ZINC001588543430	958979700	/nfs/dbraw/zinc/97/97/00/958979700.db2.gz	LTHYNEYJYJJCAA-CUYBNKCWSA-N	-1	0	266.297	0.675	20	30		CCEDRM
C#CC[C@H](NC(=O)c1cn2c(cccc2C)n1)C(=O)[O-]	ZINC000149634209	959020551	/nfs/dbraw/zinc/02/05/51/959020551.db2.gz	AZKKIFNNZSPJGK-JTQLQIEISA-N	-1	0	271.276	0.849	20	30		CCEDRM
C#CC[C@@H](NC(=O)COc1ccccc1O)C(=O)[O-]	ZINC000149810438	959027726	/nfs/dbraw/zinc/02/77/26/959027726.db2.gz	OWOZDIGNLGUJPZ-SECBINFHSA-N	-1	0	263.249	0.364	20	30		CCEDRM
C[C@](C#N)(CC(=O)[O-])C(=O)NC[C@@H]1CCC=CO1	ZINC001588556368	959057145	/nfs/dbraw/zinc/05/71/45/959057145.db2.gz	BTXVYAHDMRHUOV-JOYOIKCWSA-N	-1	0	252.270	0.800	20	30		CCEDRM
C[C@H](C(=O)[O-])C(=O)N1CC[C@@H](Oc2ccc(C#N)cn2)C1	ZINC001588564290	959122357	/nfs/dbraw/zinc/12/23/57/959122357.db2.gz	FXXGXFUSCKERRR-GXSJLCMTSA-N	-1	0	289.291	0.654	20	30		CCEDRM
Cc1cnn([C@H]2CCN(C(=O)[C@@](C)(C#N)CC(=O)[O-])C2)c1	ZINC001594434690	959216274	/nfs/dbraw/zinc/21/62/74/959216274.db2.gz	ORCURDQOVXMFRK-SMDDNHRTSA-N	-1	0	290.323	0.970	20	30		CCEDRM
C#CCN(C)S(=O)(=O)c1cc(C(=O)[O-])ccc1F	ZINC000164445912	959256992	/nfs/dbraw/zinc/25/69/92/959256992.db2.gz	GZZMWEKRLBTZFA-UHFFFAOYSA-N	-1	0	271.269	0.778	20	30		CCEDRM
CC(C)c1nnc(CNC(=O)[C@](C)(C#N)CC(=O)[O-])[nH]1	ZINC001573565423	959287267	/nfs/dbraw/zinc/28/72/67/959287267.db2.gz	YUDPWPFQWKGLCH-LBPRGKRZSA-N	-1	0	279.300	0.549	20	30		CCEDRM
C[C@H](CC(=O)[O-])NS(=O)(=O)c1ccc(C#N)cn1	ZINC001573575771	959327681	/nfs/dbraw/zinc/32/76/81/959327681.db2.gz	YJOWEMRZHSRAHB-SSDOTTSWSA-N	-1	0	269.282	0.095	20	30		CCEDRM
CC(C)n1nnc(NC(=O)[C@](C)(C#N)CC(=O)[O-])n1	ZINC001573577667	959338447	/nfs/dbraw/zinc/33/84/47/959338447.db2.gz	YJNGWBJDVQWTJI-JTQLQIEISA-N	-1	0	266.261	0.197	20	30		CCEDRM
C[C@@](O)(CNC(=O)Nc1cccc(CC#N)n1)C(=O)[O-]	ZINC001573583022	959360848	/nfs/dbraw/zinc/36/08/48/959360848.db2.gz	RBCHJGFVLPDUGK-GFCCVEGCSA-N	-1	0	278.268	0.105	20	30		CCEDRM
Cc1nc(NC(=O)[C@@](C)(C#N)CC(=O)[O-])nn1C	ZINC001594456022	959415860	/nfs/dbraw/zinc/41/58/60/959415860.db2.gz	DTIUDHGWAQJXEA-SNVBAGLBSA-N	-1	0	251.246	0.067	20	30		CCEDRM
C[Si](C)(C)C#CCCNC(=O)COCC(=O)[O-]	ZINC001594247979	959598091	/nfs/dbraw/zinc/59/80/91/959598091.db2.gz	YMSGQMWSEHJRGX-UHFFFAOYSA-N	-1	0	257.362	0.475	20	30		CCEDRM
C=CCCOCCNC(=O)c1cc(C(=O)[O-])on1	ZINC000231841961	960210618	/nfs/dbraw/zinc/21/06/18/960210618.db2.gz	OVDWCRHKFBVRTJ-UHFFFAOYSA-N	-1	0	254.242	0.695	20	30		CCEDRM
C[C@@H]1CCN(C(=O)Nc2nn(C)cc2C#N)C[C@@H]1C(=O)[O-]	ZINC001573735955	960434671	/nfs/dbraw/zinc/43/46/71/960434671.db2.gz	MDKLUYFUVAHOON-SCZZXKLOSA-N	-1	0	291.311	0.866	20	30		CCEDRM
N#Cc1ccc(S(=O)(=O)N[C@H]2CCC[C@H]2C(=O)[O-])o1	ZINC001574249990	960504901	/nfs/dbraw/zinc/50/49/01/960504901.db2.gz	QCFWBBHSTHAYRI-BDAKNGLRSA-N	-1	0	284.293	0.683	20	30		CCEDRM
COc1ncc(NC(=O)N2CC(NC(=O)[O-])C2)cc1C#N	ZINC001571041154	960576950	/nfs/dbraw/zinc/57/69/50/960576950.db2.gz	BZCGRFGYBQPLDC-UHFFFAOYSA-N	-1	0	291.267	0.446	20	30		CCEDRM
CC[C@H](C#N)C(=O)N1C[C@H]2COC[C@@]2(C(=O)[O-])C1	ZINC001573759630	960600518	/nfs/dbraw/zinc/60/05/18/960600518.db2.gz	RNVWCOAUIIFAHU-PTRXPTGYSA-N	-1	0	252.270	0.096	20	30		CCEDRM
Cc1cc(=O)[nH]c(CNC(=O)[C@@](C)(C#N)CC(=O)[O-])n1	ZINC001574307165	960745856	/nfs/dbraw/zinc/74/58/56/960745856.db2.gz	WFOPXRMNIHNICX-GFCCVEGCSA-N	-1	0	278.268	0.111	20	30		CCEDRM
CC[C@H](NC(=O)[C@@](C)(C#N)CC(=O)[O-])c1noc(C)n1	ZINC001573808358	960862502	/nfs/dbraw/zinc/86/25/02/960862502.db2.gz	CDNWIORUNFVZRF-QPUJVOFHSA-N	-1	0	280.284	0.950	20	30		CCEDRM
CN(CC(=O)[O-])S(=O)(=O)c1cccc(C#N)c1Cl	ZINC001573865043	961189429	/nfs/dbraw/zinc/18/94/29/961189429.db2.gz	QWXHADIGGWDJLN-UHFFFAOYSA-N	-1	0	288.712	0.917	20	30		CCEDRM
CCOCCOCCN(C)C(=O)[C@](C)(C#N)CC(=O)[O-]	ZINC001573913210	961490326	/nfs/dbraw/zinc/49/03/26/961490326.db2.gz	AOKQHSXFTLIHIA-ZDUSSCGKSA-N	-1	0	286.328	0.502	20	30		CCEDRM
Cn1nc(C(=O)[O-])cc1CNCC1(C#N)CCOCC1	ZINC001574467912	961595572	/nfs/dbraw/zinc/59/55/72/961595572.db2.gz	YGDYERZIQKFTEF-UHFFFAOYSA-N	-1	0	278.312	0.528	20	30		CCEDRM
N#CCc1cccc(NC(=O)c2cn(CC(=O)[O-])nn2)n1	ZINC001574479606	961652979	/nfs/dbraw/zinc/65/29/79/961652979.db2.gz	LFNPNMWKAHUQBE-UHFFFAOYSA-N	-1	0	286.251	0.076	20	30		CCEDRM
N#CC[C@@H](NC(=O)c1cnc(C(=O)[O-])cn1)C(F)(F)F	ZINC001574480645	961665338	/nfs/dbraw/zinc/66/53/38/961665338.db2.gz	OMIBLVJQTYTPRQ-SSDOTTSWSA-N	-1	0	288.185	0.749	20	30		CCEDRM
N#CC1(CNC(=O)c2ccc(C(=O)[O-])nc2)CCOCC1	ZINC001574480828	961668138	/nfs/dbraw/zinc/66/81/38/961668138.db2.gz	QUPVOZRVXYPARS-UHFFFAOYSA-N	-1	0	289.291	0.830	20	30		CCEDRM
N#Cc1ccc([C@@H](O)C(=O)Nc2n[nH]cc2C(=O)[O-])cc1	ZINC001574485567	961678496	/nfs/dbraw/zinc/67/84/96/961678496.db2.gz	IJTWQVNUNHKGAY-SNVBAGLBSA-N	-1	0	286.247	0.652	20	30		CCEDRM
N#Cc1ccc(NC(=O)N[C@@]2(C(=O)[O-])CCOC2)nc1	ZINC001574487507	961687970	/nfs/dbraw/zinc/68/79/70/961687970.db2.gz	BJYPZUVUUCMFEK-LBPRGKRZSA-N	-1	0	276.252	0.318	20	30		CCEDRM
N#Cc1ccncc1C(=O)Nc1cc(C(=O)[O-])n[nH]1	ZINC001574493486	961718871	/nfs/dbraw/zinc/71/88/71/961718871.db2.gz	MFLDJRGIMVMJKA-UHFFFAOYSA-N	-1	0	257.209	0.627	20	30		CCEDRM
C#CC[C@H](CO)NC(=O)Nc1cc(C(=O)[O-])ccn1	ZINC001573301940	962641467	/nfs/dbraw/zinc/64/14/67/962641467.db2.gz	HESLWDQPDADNRA-SECBINFHSA-N	-1	0	263.253	0.286	20	30		CCEDRM
C#CCCCCC(=O)N1CC[C@H](NC(=O)CNC(=O)[O-])C1	ZINC001573302865	962665344	/nfs/dbraw/zinc/66/53/44/962665344.db2.gz	GYVWGZIHVHHISS-NSHDSACASA-N	-1	0	295.339	0.165	20	30		CCEDRM
C#CCCCCC(=O)N(C)CCNC(=O)[C@H]1C[C@H]1C(=O)[O-]	ZINC001573303345	962675373	/nfs/dbraw/zinc/67/53/73/962675373.db2.gz	NGUQHOPUAVVAQB-NWDGAFQWSA-N	-1	0	294.351	0.475	20	30		CCEDRM
C#CC[C@H](NC(=O)c1ccc2[nH]cnc2c1F)C(=O)[O-]	ZINC001573304003	962684459	/nfs/dbraw/zinc/68/44/59/962684459.db2.gz	WKBYSSVWZXBIFR-VIFPVBQESA-N	-1	0	275.239	0.908	20	30		CCEDRM
CC(C)n1cc(CNC(=O)[C@](C)(C#N)CC(=O)[O-])nn1	ZINC001588980803	962719906	/nfs/dbraw/zinc/71/99/06/962719906.db2.gz	LOIGVRSCZWERLC-LBPRGKRZSA-N	-1	0	279.300	0.480	20	30		CCEDRM
C=C(C)CCN1CC(NC(=O)[C@H]2C[C@H]2C(=O)[O-])C1	ZINC001573324562	962786750	/nfs/dbraw/zinc/78/67/50/962786750.db2.gz	UXEONNGMJSTKEJ-WDEREUQCSA-N	-1	0	252.314	0.474	20	30		CCEDRM
C=C(CCC(=O)[O-])C(=O)N(C)CC1(O)CCOCC1	ZINC001573325893	962798938	/nfs/dbraw/zinc/79/89/38/962798938.db2.gz	PQOZJXLBDNXWAK-UHFFFAOYSA-N	-1	0	271.313	0.407	20	30		CCEDRM
C=C(C)C[C@H](NC(=O)COCC(=O)[O-])C(=O)OCC	ZINC001573328061	962808522	/nfs/dbraw/zinc/80/85/22/962808522.db2.gz	ZRNBAGNIDYVSHP-VIFPVBQESA-N	-1	0	273.285	0.102	20	30		CCEDRM
C=C(CCC(=O)[O-])C(=O)NC[C@@]1(O)CCSC1	ZINC001573332132	962826510	/nfs/dbraw/zinc/82/65/10/962826510.db2.gz	DUKPRZOKBWOQJY-NSHDSACASA-N	-1	0	259.327	0.392	20	30		CCEDRM
C=C(CCC(=O)[O-])C(=O)N[C@H](CO)[C@H](O)C1CCCCC1	ZINC001573332263	962829364	/nfs/dbraw/zinc/82/93/64/962829364.db2.gz	GCOJQHKAPADPMF-TZMCWYRMSA-N	-1	0	299.367	0.826	20	30		CCEDRM
C=C(Cl)C[N@H+]1CC[C@@H](CCNC(=O)CNC(=O)[O-])C1	ZINC001573338465	962875056	/nfs/dbraw/zinc/87/50/56/962875056.db2.gz	BMRRHMVKAAVXQM-SNVBAGLBSA-N	-1	0	289.763	0.835	20	30		CCEDRM
C=C(CCC(=O)OC)C(=O)N1CCC([C@@H](O)C(=O)[O-])CC1	ZINC001573339849	962896391	/nfs/dbraw/zinc/89/63/91/962896391.db2.gz	YOMBVHZQTVMZTN-GFCCVEGCSA-N	-1	0	299.323	0.180	20	30		CCEDRM
C=C1CC(C)(C(=O)N[C@@H](C)CN(C)C(=O)CNC(=O)[O-])C1	ZINC001573344288	962915128	/nfs/dbraw/zinc/91/51/28/962915128.db2.gz	RYBDTYYTGUWZOH-JTQLQIEISA-N	-1	0	297.355	0.573	20	30		CCEDRM
C=CC(C)(C)C(=O)NC/C=C/CNC(=O)CNC(=O)[O-]	ZINC001573346531	962938346	/nfs/dbraw/zinc/93/83/46/962938346.db2.gz	BNQQNHKMDLLBML-AATRIKPKSA-N	-1	0	283.328	0.255	20	30		CCEDRM
C=C[C@@](C)(CC)C(=O)N(C)[C@H](C)CNC(=O)CNC(=O)[O-]	ZINC001573347073	962946038	/nfs/dbraw/zinc/94/60/38/962946038.db2.gz	IQDKOYBTYFDHCF-YGRLFVJLSA-N	-1	0	299.371	0.819	20	30		CCEDRM
C#CCN(CC#N)S(=O)(=O)c1ccsc1C(=O)[O-]	ZINC000302326874	963073189	/nfs/dbraw/zinc/07/31/89/963073189.db2.gz	RPOBLLXWQQDQFL-UHFFFAOYSA-N	-1	0	284.318	0.594	20	30		CCEDRM
N#C[C@H](CCc1ccccc1)C(=O)N[C@@H](CO)C(=O)[O-]	ZINC001571005777	963243579	/nfs/dbraw/zinc/24/35/79/963243579.db2.gz	ZOKNOOJLLOJEQA-RYUDHWBXSA-N	-1	0	276.292	0.321	20	30		CCEDRM
N#Cc1cn(CC(=O)Nc2ccsc2C(=O)[O-])nn1	ZINC001571006114	963251157	/nfs/dbraw/zinc/25/11/57/963251157.db2.gz	STKHLSXYQPRSFV-UHFFFAOYSA-N	-1	0	277.265	0.548	20	30		CCEDRM
C[C@H]1CN(C(=O)[C@@]2(C#N)CCCOC2)C[C@]1(C)C(=O)[O-]	ZINC001571013769	963304481	/nfs/dbraw/zinc/30/44/81/963304481.db2.gz	PSJBCHAZALUIQY-LEWSCRJBSA-N	-1	0	280.324	0.876	20	30		CCEDRM
N#Cc1sc(N2CCO[C@H](C(=O)[O-])C2)nc1Cl	ZINC000310462288	963410104	/nfs/dbraw/zinc/41/01/04/963410104.db2.gz	BBAPAQQOBGORBJ-YFKPBYRVSA-N	-1	0	273.701	0.958	20	30		CCEDRM
N#C[C@H]1CN(c2nccc(C(=O)[O-])c2[N+](=O)[O-])CCO1	ZINC000312402332	963559380	/nfs/dbraw/zinc/55/93/80/963559380.db2.gz	FAJYPSLIOBUOSV-ZETCQYMHSA-N	-1	0	278.224	0.417	20	30		CCEDRM
C=C(C)C[C@H](NC(C)=O)C(=O)N[C@@H](C)CC(=O)[O-]	ZINC001588441501	964052615	/nfs/dbraw/zinc/05/26/15/964052615.db2.gz	JCMCJRYWFQNQCL-WPRPVWTQSA-N	-1	0	256.302	0.437	20	30		CCEDRM
C=C(C)C[C@H](NC(C)=O)C(=O)NC[C@@H](CC)C(=O)[O-]	ZINC001588442969	964059833	/nfs/dbraw/zinc/05/98/33/964059833.db2.gz	VYVBNFUNMJUKDF-MNOVXSKESA-N	-1	0	270.329	0.684	20	30		CCEDRM
C#CCCCS(=O)(=O)N(C)[C@H](COC(C)C)C(=O)[O-]	ZINC001588446368	964071882	/nfs/dbraw/zinc/07/18/82/964071882.db2.gz	FXVBPBFIIGXNPQ-LLVKDONJSA-N	-1	0	291.369	0.540	20	30		CCEDRM
C#CCN(CC(=O)[O-])C(=O)c1ccc2[nH]cnc2c1	ZINC000092477325	967594560	/nfs/dbraw/zinc/59/45/60/967594560.db2.gz	GCUOHKOPDFWUEW-UHFFFAOYSA-N	-1	0	257.249	0.723	20	30		CCEDRM
N#CCc1ccc(NC(=O)[C@H]2CC(C(=O)[O-])=NO2)cc1	ZINC000230759528	967731763	/nfs/dbraw/zinc/73/17/63/967731763.db2.gz	SMJIMQKPIJQNHS-LLVKDONJSA-N	-1	0	273.248	0.921	20	30		CCEDRM
C#C[C@H](C)NC(=O)N1CC[C@](COC)(C(=O)[O-])C1	ZINC000394101111	968212508	/nfs/dbraw/zinc/21/25/08/968212508.db2.gz	USFIPHQCXFQSAQ-CABZTGNLSA-N	-1	0	254.286	0.141	20	30		CCEDRM
C#CCN1CCN(C(=O)[C@H](C(=O)[O-])C(C)(C)C)CC1	ZINC000394891604	968219036	/nfs/dbraw/zinc/21/90/36/968219036.db2.gz	IUXPUAHIABNICT-LLVKDONJSA-N	-1	0	266.341	0.511	20	30		CCEDRM
C=CCN(C)C(=O)C(=O)Nc1ccccc1C(=O)[O-]	ZINC001609345942	970421099	/nfs/dbraw/zinc/42/10/99/970421099.db2.gz	QYQCRPJCVANNFA-UHFFFAOYSA-N	-1	0	262.265	0.968	20	30		CCEDRM
C[C@](C#N)(CC(=O)[O-])C(=O)OC[C@H]1CCCOC1	ZINC001609692974	970452234	/nfs/dbraw/zinc/45/22/34/970452234.db2.gz	KFMXWGOSZBVRKH-JOYOIKCWSA-N	-1	0	255.270	0.961	20	30		CCEDRM
CC[C@H](NC(=O)[C@@](C)(C#N)CC(=O)[O-])[C@@H](O)C(C)C	ZINC001610132633	970679234	/nfs/dbraw/zinc/67/92/34/970679234.db2.gz	BOVLRHHJPNDXQZ-XHVZSJERSA-N	-1	0	270.329	0.903	20	30		CCEDRM
C[C@@H]1C[C@@H](C(=O)[O-])CN(C(=O)C(=O)NCCCCC#N)C1	ZINC001603355905	972808064	/nfs/dbraw/zinc/80/80/64/972808064.db2.gz	YCPFTTBJQLKITC-GHMZBOCLSA-N	-1	0	295.339	0.366	20	30		CCEDRM
CO[C@H](C(=O)[O-])C(=O)N(CCC#N)CCC(C)C	ZINC001604419886	973174873	/nfs/dbraw/zinc/17/48/73/973174873.db2.gz	FFDWZLYQLFOQFF-JTQLQIEISA-N	-1	0	256.302	0.874	20	30		CCEDRM
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CO[C@H](C(=O)[O-])C(=O)Nc1n[nH]c2cc(C#N)c(C)cc21	ZINC001604440547	973239882	/nfs/dbraw/zinc/23/98/82/973239882.db2.gz	DGMRTODNBRGOKV-JTQLQIEISA-N	-1	0	288.263	0.781	20	30		CCEDRM
CO[C@@](C)(C(=O)[O-])C(=O)NCc1cncc(C#N)c1	ZINC001604464243	973330831	/nfs/dbraw/zinc/33/08/31/973330831.db2.gz	YJIKJWBIPGVVHS-GFCCVEGCSA-N	-1	0	263.253	0.059	20	30		CCEDRM
CO[C@](C)(C(=O)[O-])C(=O)Oc1cccc(OCC#N)c1	ZINC001604473072	973363023	/nfs/dbraw/zinc/36/30/23/973363023.db2.gz	QLXOFJSMHVFWAY-CYBMUJFWSA-N	-1	0	279.248	0.984	20	30		CCEDRM
CC[C@@H](C#N)C(=O)NCC1(C(=O)[O-])CCOCC1	ZINC001603489041	973422930	/nfs/dbraw/zinc/42/29/30/973422930.db2.gz	UDXRWMLKWFQJSH-VIFPVBQESA-N	-1	0	254.286	0.534	20	30		CCEDRM
N#Cc1ccc(C(=O)N2C[C@@H](O)C[C@H](C(=O)[O-])C2)cc1	ZINC000401869897	973471888	/nfs/dbraw/zinc/47/18/88/973471888.db2.gz	HTKGFZRHIXUTNP-RYUDHWBXSA-N	-1	0	274.276	0.466	20	30		CCEDRM
Cc1nnc(NC(=O)[C@@](C)(C#N)CC(=O)[O-])n1C	ZINC001605444435	973507651	/nfs/dbraw/zinc/50/76/51/973507651.db2.gz	HNTMIMNMVBKZKP-SNVBAGLBSA-N	-1	0	251.246	0.067	20	30		CCEDRM
Cc1cc(N2C[C@H](O)C[C@H](C(=O)[O-])C2)cc(C#N)n1	ZINC000401921124	973535143	/nfs/dbraw/zinc/53/51/43/973535143.db2.gz	IYLPUXCZNYHZJP-JOYOIKCWSA-N	-1	0	261.281	0.534	20	30		CCEDRM
Cc1onc(CC(=O)N[C@H]2C[C@H](C(=O)[O-])C2)c1C#N	ZINC001605460106	973553295	/nfs/dbraw/zinc/55/32/95/973553295.db2.gz	OSWKEMCVZHTQMS-ZKCHVHJHSA-N	-1	0	263.253	0.377	20	30		CCEDRM
C=CCCCNC(=O)N1C[C@H](C(=O)[O-])C[C@H](O)C1	ZINC000401959780	973564769	/nfs/dbraw/zinc/56/47/69/973564769.db2.gz	UNZGPQPCUAUUNU-ZJUUUORDSA-N	-1	0	256.302	0.430	20	30		CCEDRM
Cn1c(C#N)ccc1C(=O)N1CCC[C@H](C(=O)[O-])C1	ZINC001605467157	973571099	/nfs/dbraw/zinc/57/10/99/973571099.db2.gz	DSOUORNXXHCQDL-VIFPVBQESA-N	-1	0	261.281	0.834	20	30		CCEDRM
Cc1nc(N2C[C@H](O)C[C@@H](C(=O)[O-])C2)ccc1C#N	ZINC000401970217	973576512	/nfs/dbraw/zinc/57/65/12/973576512.db2.gz	LDAFEEPWPTVOQC-GHMZBOCLSA-N	-1	0	261.281	0.534	20	30		CCEDRM
N#C[C@H](NC(=O)c1cn(CC(=O)[O-])nn1)C1CCCCC1	ZINC001605575667	973839054	/nfs/dbraw/zinc/83/90/54/973839054.db2.gz	CELKOLSRPSSOJJ-JTQLQIEISA-N	-1	0	291.311	0.565	20	30		CCEDRM
N#CCN(C(=O)c1cn(CC(=O)[O-])nn1)C1CCCC1	ZINC001605586285	973880572	/nfs/dbraw/zinc/88/05/72/973880572.db2.gz	SPCPZDCCHWFGRP-UHFFFAOYSA-N	-1	0	277.284	0.271	20	30		CCEDRM
N#Cc1ccc(CCNC(=O)[C@@]2(C(=O)[O-])CCCO2)cc1	ZINC001605602041	973910321	/nfs/dbraw/zinc/91/03/21/973910321.db2.gz	MCPGRIGBRHDBOQ-OAHLLOKOSA-N	-1	0	288.303	0.851	20	30		CCEDRM
N#Cc1nc(N)n(CCC2(C(=O)[O-])CCC2)c1C#N	ZINC001605625993	973951380	/nfs/dbraw/zinc/95/13/80/973951380.db2.gz	FMEDJQFMHFLRGB-UHFFFAOYSA-N	-1	0	259.269	0.854	20	30		CCEDRM
COc1ccc(NC(=O)NC[C@](C)(O)C(=O)[O-])cc1C#N	ZINC001604820756	974057428	/nfs/dbraw/zinc/05/74/28/974057428.db2.gz	RGSMMTCROXZJIV-ZDUSSCGKSA-N	-1	0	293.279	0.524	20	30		CCEDRM
CC(C)[C@H](C#N)NC(=O)CC[C@@H]1C[C@H](C(=O)[O-])CO1	ZINC001591852928	976141074	/nfs/dbraw/zinc/14/10/74/976141074.db2.gz	YBYSDYCFOVTQCZ-AXFHLTTASA-N	-1	0	268.313	0.921	20	30		CCEDRM
CC(C)[C@H](NC(=O)COc1ccc(F)nc1C#N)C(=O)[O-]	ZINC001591877846	976232246	/nfs/dbraw/zinc/23/22/46/976232246.db2.gz	UJOLDKDQSBGYCJ-LBPRGKRZSA-N	-1	0	295.270	0.697	20	30		CCEDRM
C[C@H](/C=C\C(=O)[O-])NC(=O)c1cccc(C#CCO)c1	ZINC001592206726	977245703	/nfs/dbraw/zinc/24/57/03/977245703.db2.gz	VMXXZXBZWKCAKZ-SKVAFPRGSA-N	-1	0	273.288	0.790	20	30		CCEDRM
C[C@@H](CC#N)OC(=O)CN1CCC[C@@H](C(=O)[O-])C1=O	ZINC001592225681	977411603	/nfs/dbraw/zinc/41/16/03/977411603.db2.gz	JHGBPIYGHVSOQJ-DTWKUNHWSA-N	-1	0	268.269	0.155	20	30		CCEDRM
C[C@@H](CC(=O)[O-])CC(=O)N1CCO[C@@](C)(C#N)C1	ZINC001592375961	977915113	/nfs/dbraw/zinc/91/51/13/977915113.db2.gz	YHJDWNSFHXMMCU-SKDRFNHKSA-N	-1	0	254.286	0.628	20	30		CCEDRM
C[C@H](CN(C)C(=O)[C@H](O)c1ccc(C#N)cc1)C(=O)[O-]	ZINC001592570029	978466588	/nfs/dbraw/zinc/46/65/88/978466588.db2.gz	VDTUPWQNGVJYHJ-BXKDBHETSA-N	-1	0	276.292	0.771	20	30		CCEDRM
CC[C@@H](CC#N)NC(=O)Cn1cc(C(=O)[O-])cn1	ZINC001595030562	979168212	/nfs/dbraw/zinc/16/82/12/979168212.db2.gz	SHJHTFFDFVPWBU-VIFPVBQESA-N	-1	0	250.258	0.390	20	30		CCEDRM
C[C@@H](Cc1ccc(C#N)cc1)C(=O)NC[C@@](C)(O)C(=O)[O-]	ZINC001592834862	979580463	/nfs/dbraw/zinc/58/04/63/979580463.db2.gz	YUTVAOJCMULOEI-ZUZCIYMTSA-N	-1	0	290.319	0.689	20	30		CCEDRM
C[C@](Cn1cccn1)(NC(=O)CSCC#N)C(=O)[O-]	ZINC001592916042	979888282	/nfs/dbraw/zinc/88/82/82/979888282.db2.gz	BFJSXQBREGUWDL-LLVKDONJSA-N	-1	0	282.325	0.099	20	30		CCEDRM
CC[C@H](NC(=O)c1cccc(C#CCO)c1)C(=O)[O-]	ZINC001595271006	980287689	/nfs/dbraw/zinc/28/76/89/980287689.db2.gz	VCAIEAKXSXYWSC-LBPRGKRZSA-N	-1	0	261.277	0.623	20	30		CCEDRM
CC[C@H](C(=O)N(CC#N)CC(=O)[O-])N1CCO[C@@H](CC)C1	ZINC001595484122	981217040	/nfs/dbraw/zinc/21/70/40/981217040.db2.gz	NTEYWYQQGPOUKA-NWDGAFQWSA-N	-1	0	297.355	0.313	20	30		CCEDRM
CC[C@H](C(=O)[O-])C(=O)NCc1nc(C#N)cs1	ZINC001594755636	981667687	/nfs/dbraw/zinc/66/76/87/981667687.db2.gz	NURPHYGIURBLCE-ZETCQYMHSA-N	-1	0	253.283	0.742	20	30		CCEDRM
CC[C@@H](C)[C@@H](NC(=O)Cn1ccnc1C#N)C(=O)[O-]	ZINC001594908519	982399549	/nfs/dbraw/zinc/39/95/49/982399549.db2.gz	HCZKKGNDNWBOSA-LDYMZIIASA-N	-1	0	264.285	0.370	20	30		CCEDRM
N#Cc1ccc(S(=O)(=O)NCC2(C(=O)[O-])CC2)o1	ZINC001574250274	983203367	/nfs/dbraw/zinc/20/33/67/983203367.db2.gz	WMBYLYODGDEFAW-UHFFFAOYSA-N	-1	0	270.266	0.294	20	30		CCEDRM
C#C[C@H](C)N(C)S(=O)(=O)c1cc(C(=O)[O-])co1	ZINC001588367765	983300975	/nfs/dbraw/zinc/30/09/75/983300975.db2.gz	BIJNWUADXMBXRL-ZETCQYMHSA-N	-1	0	257.267	0.620	20	30		CCEDRM
C#C[C@@H](C)N(C)C(=O)C(=O)Nc1ccc(F)cc1C(=O)[O-]	ZINC001588369073	983310392	/nfs/dbraw/zinc/31/03/92/983310392.db2.gz	ZRHROCJRNATAST-MRVPVSSYSA-N	-1	0	292.266	0.943	20	30		CCEDRM
C#C[C@H](NC(=O)N1CC[C@@](OC)(C(=O)[O-])C1)[C@H]1CCCO1	ZINC001588373089	983336666	/nfs/dbraw/zinc/33/66/66/983336666.db2.gz	ZRMAZLWRNHJTEC-WDMOLILDSA-N	-1	0	296.323	0.052	20	30		CCEDRM
C#C[C@H](NC(=O)N1CC[C@](OC)(C(=O)[O-])C1)[C@@H]1CCCO1	ZINC001588373086	983336707	/nfs/dbraw/zinc/33/67/07/983336707.db2.gz	ZRMAZLWRNHJTEC-COPLHBTASA-N	-1	0	296.323	0.052	20	30		CCEDRM
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C#C[C@H](NC(=O)c1c[nH]c(C(=O)[O-])c1)[C@@H]1CCCO1	ZINC001588374363	983343396	/nfs/dbraw/zinc/34/33/96/983343396.db2.gz	VRCOUKUPEYKBOA-ONGXEEELSA-N	-1	0	262.265	0.624	20	30		CCEDRM
C#C[C@H](NS(=O)(=O)c1ccc(C(=O)[O-])nc1)C(C)C	ZINC001588376515	983351821	/nfs/dbraw/zinc/35/18/21/983351821.db2.gz	UGJJVUBRUQHLHP-JTQLQIEISA-N	-1	0	282.321	0.716	20	30		CCEDRM
C#C[C@H](N[C@@H](C(=O)[O-])c1cccnc1)[C@@H]1CCCO1	ZINC001588376697	983353242	/nfs/dbraw/zinc/35/32/42/983353242.db2.gz	GFBRHWZMKWCSMV-RWMBFGLXSA-N	-1	0	260.293	0.978	20	30		CCEDRM
C#CC1(O)CN(C(=O)Nc2ccc(C)c(C(=O)[O-])c2)C1	ZINC001588379815	983365766	/nfs/dbraw/zinc/36/57/66/983365766.db2.gz	SKEMWEHBSMIENX-UHFFFAOYSA-N	-1	0	274.276	0.905	20	30		CCEDRM
C#C[C@H]1CCCN(C(=O)CN2CCC[C@@H](C(=O)[O-])C2=O)C1	ZINC001588383031	983376702	/nfs/dbraw/zinc/37/67/02/983376702.db2.gz	MRRPQQWCNXNLCO-NWDGAFQWSA-N	-1	0	292.335	0.181	20	30		CCEDRM
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C#C[C@H]1COCCN1C(=O)c1ccc(C(=O)[O-])nc1	ZINC001588384099	983386998	/nfs/dbraw/zinc/38/69/98/983386998.db2.gz	VIIGDWREOMLTLS-JTQLQIEISA-N	-1	0	260.249	0.254	20	30		CCEDRM
C#CC[C@H](CCOC)NC(=O)Nc1ccc(C(=O)[O-])nn1	ZINC001588393415	983397710	/nfs/dbraw/zinc/39/77/10/983397710.db2.gz	FSMQMLOUKLCFGS-SECBINFHSA-N	-1	0	292.295	0.725	20	30		CCEDRM
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C#CC[C@H](CCOC)NC(=O)N[C@@H]1CC=C(C(=O)[O-])C1	ZINC001588394809	983403896	/nfs/dbraw/zinc/40/38/96/983403896.db2.gz	PNBINRKLZXPHKI-VXGBXAGGSA-N	-1	0	280.324	0.887	20	30		CCEDRM
C#CC[C@@H](NC(=O)/C=C\c1cc(C(=O)OC)co1)C(=O)[O-]	ZINC001588404896	983419375	/nfs/dbraw/zinc/41/93/75/983419375.db2.gz	BFVJHQHDAZBDDV-ISALQUGTSA-N	-1	0	291.259	0.672	20	30		CCEDRM
C#CC[C@H](NC(=O)CCN(C)C(=O)OC(C)(C)C)C(=O)[O-]	ZINC001588405519	983421705	/nfs/dbraw/zinc/42/17/05/983421705.db2.gz	QROHKUKYBRKZRA-JTQLQIEISA-N	-1	0	298.339	0.836	20	30		CCEDRM
C#CC[C@@H](NC(=O)/C=C/c1ccncc1C)C(=O)[O-]	ZINC001588405966	983423464	/nfs/dbraw/zinc/42/34/64/983423464.db2.gz	KWQHHWGOWQKLNL-BTDICHCPSA-N	-1	0	258.277	0.996	20	30		CCEDRM
C#CC[C@@H](NC(=O)Cn1nc(C)cc1C(F)F)C(=O)[O-]	ZINC001588406804	983426415	/nfs/dbraw/zinc/42/64/15/983426415.db2.gz	AEDHAJPHTPQLBN-MRVPVSSYSA-N	-1	0	285.250	0.722	20	30		CCEDRM
C#CC[C@H](NC(=O)c1c2ccccc2nn1C)C(=O)[O-]	ZINC001588414644	983434522	/nfs/dbraw/zinc/43/45/22/983434522.db2.gz	XLBMBNAURAFMSA-NSHDSACASA-N	-1	0	271.276	0.780	20	30		CCEDRM
C#CC[C@@H](NC(=O)c1cccc2oc(=O)[nH]c21)C(=O)[O-]	ZINC001588416723	983437639	/nfs/dbraw/zinc/43/76/39/983437639.db2.gz	QQBAYDOHIAURHH-MRVPVSSYSA-N	-1	0	274.232	0.740	20	30		CCEDRM
C#CC[C@@H](NC(=O)c1sccc1-n1ccnn1)C(=O)[O-]	ZINC001588421813	983442827	/nfs/dbraw/zinc/44/28/27/983442827.db2.gz	OMMDTZHJRIFIBU-MRVPVSSYSA-N	-1	0	290.304	0.535	20	30		CCEDRM
C#CC[C@@H](NS(=O)(=O)c1ccc(Cl)nc1)C(=O)[O-]	ZINC001588428524	983462099	/nfs/dbraw/zinc/46/20/99/983462099.db2.gz	RSNOTJHCIYGAKV-MRVPVSSYSA-N	-1	0	288.712	0.490	20	30		CCEDRM
C#CC[C@H](NS(=O)(=O)c1cnn(C2CCC2)c1)C(=O)[O-]	ZINC001588428618	983463111	/nfs/dbraw/zinc/46/31/11/983463111.db2.gz	VDFDBMMBPJAQFZ-NSHDSACASA-N	-1	0	297.336	0.363	20	30		CCEDRM
C#CC[C@H]1CCN(C(=O)CN2CCC[C@@H](C(=O)[O-])C2=O)C1	ZINC001588434626	983471385	/nfs/dbraw/zinc/47/13/85/983471385.db2.gz	OYWBXYSEJJQEQK-NWDGAFQWSA-N	-1	0	292.335	0.181	20	30		CCEDRM
C#CCCS(=O)(=O)NC[C@@H](Cc1ccccc1)C(=O)[O-]	ZINC001588457634	983481982	/nfs/dbraw/zinc/48/19/82/983481982.db2.gz	FZLVGYGEAWVCOC-CYBMUJFWSA-N	-1	0	295.360	0.873	20	30		CCEDRM
C#CCCS(=O)(=O)N(C)[C@@H](COC(C)C)C(=O)[O-]	ZINC001588459105	983484440	/nfs/dbraw/zinc/48/44/40/983484440.db2.gz	YXBZLKUZTLVXQD-JTQLQIEISA-N	-1	0	277.342	0.150	20	30		CCEDRM
C#CCCS(=O)(=O)NCC1(CC(=O)[O-])CCOCC1	ZINC001588459076	983484548	/nfs/dbraw/zinc/48/45/48/983484548.db2.gz	YCBMNANKYMGXBD-UHFFFAOYSA-N	-1	0	289.353	0.201	20	30		CCEDRM
C#CCN(C(=O)Cn1cc(C(=O)[O-])cn1)C(C)(C)C	ZINC001588459849	983486425	/nfs/dbraw/zinc/48/64/25/983486425.db2.gz	LVCLWSKRCKRYJD-UHFFFAOYSA-N	-1	0	263.297	0.842	20	30		CCEDRM
C#CCN(C(=O)c1cc(C(=O)[O-])nn1C)c1nccs1	ZINC001588461432	983489772	/nfs/dbraw/zinc/48/97/72/983489772.db2.gz	PJKCKVMUTOVHIL-UHFFFAOYSA-N	-1	0	290.304	0.855	20	30		CCEDRM
C#CCN(C)C(=O)C(=O)Nc1cccc(C(=O)[O-])c1	ZINC001588461550	983490391	/nfs/dbraw/zinc/49/03/91/983490391.db2.gz	SZMSMEPQOLNBGX-UHFFFAOYSA-N	-1	0	260.249	0.415	20	30		CCEDRM
C#CCN(CC#C)C(=O)C(=O)Nc1ccc(C(=O)[O-])cc1	ZINC001588464705	983494251	/nfs/dbraw/zinc/49/42/51/983494251.db2.gz	DWBMVHCUEHOAAM-UHFFFAOYSA-N	-1	0	284.271	0.418	20	30		CCEDRM
C#CCN(CC#C)Cc1snc(OC)c1C(=O)[O-]	ZINC001588464968	983495350	/nfs/dbraw/zinc/49/53/50/983495350.db2.gz	YLUWLSQYKUZQIO-UHFFFAOYSA-N	-1	0	264.306	0.918	20	30		CCEDRM
CCN(C(=O)Cn1ccc(C(=O)[O-])n1)[C@H](C)C#N	ZINC001596147951	983503551	/nfs/dbraw/zinc/50/35/51/983503551.db2.gz	MIDYIPBGPREHKO-MRVPVSSYSA-N	-1	0	250.258	0.342	20	30		CCEDRM
C#CCN1CCC[C@H](NC(=O)c2cc(C(=O)[O-])on2)C1	ZINC001588477202	983514906	/nfs/dbraw/zinc/51/49/06/983514906.db2.gz	WFQQZAFMFCOXKK-VIFPVBQESA-N	-1	0	277.280	0.200	20	30		CCEDRM
C#CCNC(=O)[C@H](C)OC(=O)/C=C/c1ccc(C(=O)[O-])o1	ZINC001588479395	983519068	/nfs/dbraw/zinc/51/90/68/983519068.db2.gz	MLEMDPYVCMIZNC-IWGCBNPKSA-N	-1	0	291.259	0.672	20	30		CCEDRM
C#CCNC(=O)[C@H](C)N[C@H](C)c1ncc(C(=O)[O-])s1	ZINC001588479385	983519117	/nfs/dbraw/zinc/51/91/17/983519117.db2.gz	LUGFTSMGMSDHMK-JGVFFNPUSA-N	-1	0	281.337	0.630	20	30		CCEDRM
C#CCN1CCN(C(=O)c2c(C)coc2CC(=O)[O-])CC1	ZINC001588479355	983519225	/nfs/dbraw/zinc/51/92/25/983519225.db2.gz	KIWSHDLEOWAHGX-UHFFFAOYSA-N	-1	0	290.319	0.606	20	30		CCEDRM
C#CCNC(=O)[C@H](C)OC(=O)[C@H]1CC[C@H](C(=O)[O-])CC1	ZINC001588479594	983520719	/nfs/dbraw/zinc/52/07/19/983520719.db2.gz	VHGXYZYOGUKHMM-DCAQKATOSA-N	-1	0	281.308	0.559	20	30		CCEDRM
C#CCNC(=O)COC(=O)C12CCC(C(=O)[O-])(CC1)CC2	ZINC001588483842	983522236	/nfs/dbraw/zinc/52/22/36/983522236.db2.gz	KRUIHMRSIBCHOK-UHFFFAOYSA-N	-1	0	293.319	0.704	20	30		CCEDRM
C#CCOCCC(=O)N[C@@H](C(=O)[O-])C1CCOCC1	ZINC001588489555	983528040	/nfs/dbraw/zinc/52/80/40/983528040.db2.gz	CXQDXMOKGJEYCD-GFCCVEGCSA-N	-1	0	269.297	0.022	20	30		CCEDRM
C#CCOCCN(C)C(=O)CC[C@@H]1C[C@H](C(=O)[O-])CO1	ZINC001588490217	983531330	/nfs/dbraw/zinc/53/13/30/983531330.db2.gz	VXPPRLKNPKTPAV-NWDGAFQWSA-N	-1	0	283.324	0.365	20	30		CCEDRM
C#CCOCCNc1nccc(C(=O)[O-])c1[N+](=O)[O-]	ZINC001588491002	983534965	/nfs/dbraw/zinc/53/49/65/983534965.db2.gz	BLMVINMPHXCPBM-UHFFFAOYSA-N	-1	0	265.225	0.750	20	30		CCEDRM
C#CCn1cc(CNc2ncncc2C(=O)[O-])cn1	ZINC001588509529	983553355	/nfs/dbraw/zinc/55/33/55/983553355.db2.gz	JVZPVSHFKSFDJF-UHFFFAOYSA-N	-1	0	257.253	0.617	20	30		CCEDRM
C#Cc1cccc(N(C)S(=O)(=O)CCC(=O)[O-])c1	ZINC001588522330	983570674	/nfs/dbraw/zinc/57/06/74/983570674.db2.gz	QCZTUQMIQWWTPH-UHFFFAOYSA-N	-1	0	267.306	0.909	20	30		CCEDRM
C#Cc1cncc(C(=O)N[C@@H](COCC=C)C(=O)[O-])c1	ZINC001588528698	983577734	/nfs/dbraw/zinc/57/77/34/983577734.db2.gz	DTAUEJXEGOVZDS-LBPRGKRZSA-N	-1	0	274.276	0.449	20	30		CCEDRM
C#Cc1cccnc1NCCC(=O)NCCC(=O)[O-]	ZINC001588528823	983578681	/nfs/dbraw/zinc/57/86/81/983578681.db2.gz	IIYMUVJQVZGIIM-UHFFFAOYSA-N	-1	0	261.281	0.456	20	30		CCEDRM
C=C(C)C[C@@H](NC(=O)[C@@H]1CC(=O)N(CCC)C1)C(=O)[O-]	ZINC001588537083	983597676	/nfs/dbraw/zinc/59/76/76/983597676.db2.gz	HYKOGOCSVWLKLG-GHMZBOCLSA-N	-1	0	282.340	0.781	20	30		CCEDRM
C=C(C)C[C@H](NC(=O)[C@@H](O)c1ccccn1)C(=O)[O-]	ZINC001588537790	983602174	/nfs/dbraw/zinc/60/21/74/983602174.db2.gz	YFHAKLQDNXZZHZ-QWRGUYRKSA-N	-1	0	264.281	0.651	20	30		CCEDRM
C=C(C)C[C@@H](NC(=O)C[C@H]1CCC(=O)NC1)C(=O)[O-]	ZINC001588540156	983602613	/nfs/dbraw/zinc/60/26/13/983602613.db2.gz	BDMGRLBGLVSRQU-NXEZZACHSA-N	-1	0	268.313	0.438	20	30		CCEDRM
CCN(C[C@H](C)C#N)S(=O)(=O)NC[C@@H]1C[C@@H]1C(=O)[O-]	ZINC001596230907	983624988	/nfs/dbraw/zinc/62/49/88/983624988.db2.gz	BMCXEBZUZQCGQT-UTLUCORTSA-N	-1	0	289.357	0.023	20	30		CCEDRM
C=C(C)C[C@H](NC(=O)c1[nH]ncc1[N+](=O)[O-])C(=O)[O-]	ZINC001588548778	983625541	/nfs/dbraw/zinc/62/55/41/983625541.db2.gz	UASWUFBVHOKSQJ-LURJTMIESA-N	-1	0	268.229	0.467	20	30		CCEDRM
C=C(C)CN(C)C(=O)C(=O)N1C[C@@H](C(=O)[O-])[C@H](C2CC2)C1	ZINC001588561544	983641807	/nfs/dbraw/zinc/64/18/07/983641807.db2.gz	KBJRVFZCEABLRJ-NWDGAFQWSA-N	-1	0	294.351	0.590	20	30		CCEDRM
C=C(C)CN(CC)C(=O)CN1CCC[C@H](O)[C@H]1C(=O)[O-]	ZINC001588563358	983645064	/nfs/dbraw/zinc/64/50/64/983645064.db2.gz	RUYDCSKHDAAHDS-AAEUAGOBSA-N	-1	0	284.356	0.321	20	30		CCEDRM
C=C(C)COCCNC(=O)N1C[C@@H](C)O[C@H](C(=O)[O-])C1	ZINC001588569399	983648859	/nfs/dbraw/zinc/64/88/59/983648859.db2.gz	AKGJHARFQMBMQW-MNOVXSKESA-N	-1	0	286.328	0.463	20	30		CCEDRM
C=C(C)CONC(=O)Cc1ccc(C(=O)[O-])nc1	ZINC001588573763	983654032	/nfs/dbraw/zinc/65/40/32/983654032.db2.gz	WPJGWQDZXHDDPT-UHFFFAOYSA-N	-1	0	250.254	0.946	20	30		CCEDRM
C=C(C)CS(=O)(=O)N1CC[C@@H](OC)C[C@@H]1C(=O)[O-]	ZINC001588577210	983655786	/nfs/dbraw/zinc/65/57/86/983655786.db2.gz	QTRAGSPJLSNKMA-NXEZZACHSA-N	-1	0	277.342	0.456	20	30		CCEDRM
C=C(C)CN1CCN(C(=O)[C@H]2C[C@H]2C(=O)[O-])CC1	ZINC001588585419	983663409	/nfs/dbraw/zinc/66/34/09/983663409.db2.gz	QNZIIURZWFETAQ-WDEREUQCSA-N	-1	0	252.314	0.427	20	30		CCEDRM
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CCC([C@H](O)C(=O)[O-])CC1	ZINC001588599447	983690318	/nfs/dbraw/zinc/69/03/18/983690318.db2.gz	QFAJOKXCBZEBPF-AVGNSLFASA-N	-1	0	297.351	0.652	20	30		CCEDRM
C=C(CCC(=O)[O-])C(=O)N(C)CC(=O)NCc1ccco1	ZINC001588607313	983700640	/nfs/dbraw/zinc/70/06/40/983700640.db2.gz	YXZBIFZJHOMBAS-UHFFFAOYSA-N	-1	0	294.307	0.775	20	30		CCEDRM
C=C(CCC(=O)[O-])C(=O)N(CC(F)F)C[C@H](C)O	ZINC001588612316	983702615	/nfs/dbraw/zinc/70/26/15/983702615.db2.gz	MNGXSFQLLVZYMX-QMMMGPOBSA-N	-1	0	265.256	0.882	20	30		CCEDRM
C=C(CCC(=O)[O-])C(=O)N(C)[C@@H](C)C(=O)OCC	ZINC001588612802	983704221	/nfs/dbraw/zinc/70/42/21/983704221.db2.gz	XFUWPEUBDKFINX-VIFPVBQESA-N	-1	0	257.286	0.817	20	30		CCEDRM
C=C(CCC(=O)[O-])C(=O)N1CCN2C(=O)OCC[C@H]2C1	ZINC001588615080	983709731	/nfs/dbraw/zinc/70/97/31/983709731.db2.gz	JGPITIPFCDVPNJ-JTQLQIEISA-N	-1	0	282.296	0.461	20	30		CCEDRM
C=C(CCC(=O)[O-])C(=O)N1CCO[C@@](C)(COC)C1	ZINC001588615522	983712642	/nfs/dbraw/zinc/71/26/42/983712642.db2.gz	XNIMWHCZLHRLPK-CYBMUJFWSA-N	-1	0	271.313	0.671	20	30		CCEDRM
C=C(CCC(=O)[O-])C(=O)N[C@H](C)Cc1cnn(C)c1	ZINC001588619144	983715091	/nfs/dbraw/zinc/71/50/91/983715091.db2.gz	LXHHUBVDKRXYOG-SNVBAGLBSA-N	-1	0	265.313	0.888	20	30		CCEDRM
C=C(CCC(=O)[O-])C(=O)N1CCOC[C@@H]1CC(C)=O	ZINC001588619551	983717449	/nfs/dbraw/zinc/71/74/49/983717449.db2.gz	XGAWZTFKMXQYHC-NSHDSACASA-N	-1	0	269.297	0.614	20	30		CCEDRM
CCN(CCC#N)C(=O)CN1C[C@@H](OC)C[C@@]1(C)C(=O)[O-]	ZINC001596299373	983723419	/nfs/dbraw/zinc/72/34/19/983723419.db2.gz	DWQIBUAAPCSIFY-FZMZJTMJSA-N	-1	0	297.355	0.313	20	30		CCEDRM
C=C(CCC(=O)[O-])C(=O)NCc1cnn(C)c1C	ZINC001588629889	983740021	/nfs/dbraw/zinc/74/00/21/983740021.db2.gz	LYNQAZSCGGGPAZ-UHFFFAOYSA-N	-1	0	251.286	0.766	20	30		CCEDRM
C=C(CCC(=O)OC)C(=O)N[C@H](CCF)C(=O)[O-]	ZINC001588633262	983748716	/nfs/dbraw/zinc/74/87/16/983748716.db2.gz	JVXBREPAEJQOBU-MRVPVSSYSA-N	-1	0	261.249	0.425	20	30		CCEDRM
C=C(CO)C(=O)N1CCOc2cc(C(=O)[O-])ccc2C1	ZINC001588636983	983757846	/nfs/dbraw/zinc/75/78/46/983757846.db2.gz	BLEPMWWVTBZPHT-UHFFFAOYSA-N	-1	0	277.276	0.654	20	30		CCEDRM
C=C(CO)C(=O)N[C@@H](C(=O)[O-])c1ccc(F)c(C)c1	ZINC001588637067	983758639	/nfs/dbraw/zinc/75/86/39/983758639.db2.gz	FLVMTQPTEKNGTO-LLVKDONJSA-N	-1	0	267.256	0.925	20	30		CCEDRM
C=C1CC(C)(C(=O)N[C@H](Cc2c[nH]cn2)C(=O)[O-])C1	ZINC001588644092	983767945	/nfs/dbraw/zinc/76/79/45/983767945.db2.gz	AYRWVYVHXPHYJC-SNVBAGLBSA-N	-1	0	263.297	0.878	20	30		CCEDRM
C=C[C@@H](C(=O)[O-])N1CCC(C)(C)S(=O)(=O)CC1	ZINC001588663783	983796584	/nfs/dbraw/zinc/79/65/84/983796584.db2.gz	PMMJNMICRANKQH-VIFPVBQESA-N	-1	0	261.343	0.525	20	30		CCEDRM
C=C[C@@H](C(=O)[O-])n1cc(Cn2ccnc2CC)nn1	ZINC001588671475	983820406	/nfs/dbraw/zinc/82/04/06/983820406.db2.gz	AXFFHZOPVYEDHO-JTQLQIEISA-N	-1	0	261.285	0.897	20	30		CCEDRM
C=C[C@](C)(CCOC)C(=O)N1CCC([C@@H](O)C(=O)[O-])CC1	ZINC001588682828	983845492	/nfs/dbraw/zinc/84/54/92/983845492.db2.gz	QWYAXMUTZIHZOY-IUODEOHRSA-N	-1	0	299.367	0.899	20	30		CCEDRM
C=C[C@](C)(O)CC(=O)N(C)[C@H](COC1CCC1)C(=O)[O-]	ZINC001588684705	983863479	/nfs/dbraw/zinc/86/34/79/983863479.db2.gz	WVPGFVZGQQVKDB-RISCZKNCSA-N	-1	0	285.340	0.794	20	30		CCEDRM
C=C[C@H](C)ONC(=O)N1C[C@H](C)O[C@H](C(=O)[O-])C1	ZINC001588688056	983874001	/nfs/dbraw/zinc/87/40/01/983874001.db2.gz	XRJVASWARYJNNN-CIUDSAMLSA-N	-1	0	258.274	0.376	20	30		CCEDRM
C=C[C@@H](COC)NS(=O)(=O)C1(C(=O)[O-])CCC1	ZINC001588692374	983880857	/nfs/dbraw/zinc/88/08/57/983880857.db2.gz	ANNGEISPMUESAX-QMMMGPOBSA-N	-1	0	263.315	0.114	20	30		CCEDRM
C=C[C@H](NCC(=O)NCCc1ccccc1)C(=O)[O-]	ZINC001588694306	983895429	/nfs/dbraw/zinc/89/54/29/983895429.db2.gz	AGYDYTSAHMNROJ-LBPRGKRZSA-N	-1	0	262.309	0.574	20	30		CCEDRM
C=C[C@@H](NC(c1ccnn1C)c1ccnn1C)C(=O)[O-]	ZINC001588695398	983901191	/nfs/dbraw/zinc/90/11/91/983901191.db2.gz	JRGKXBXHRPFYCM-SECBINFHSA-N	-1	0	275.312	0.472	20	30		CCEDRM
C=C[C@H](OC(=O)[C@H](C)Cc1cnn(C)c1)C(=O)[O-]	ZINC001588705219	983926645	/nfs/dbraw/zinc/92/66/45/983926645.db2.gz	LLIVZKDVWQYDMB-SCZZXKLOSA-N	-1	0	252.270	0.781	20	30		CCEDRM
C=C[C@H](O)C(=O)N[C@H]1CCCn2nc(C(=O)[O-])cc21	ZINC001588706285	983930486	/nfs/dbraw/zinc/93/04/86/983930486.db2.gz	XTOUILCKHZBTNN-XVKPBYJWSA-N	-1	0	265.269	0.079	20	30		CCEDRM
C=C[C@H](OC(=O)C1CCN(C(=O)OC)CC1)C(=O)[O-]	ZINC001588710553	983932728	/nfs/dbraw/zinc/93/27/28/983932728.db2.gz	FFIPGRYZBXEHGV-VIFPVBQESA-N	-1	0	271.269	0.647	20	30		CCEDRM
C=C[C@H](OC(=O)c1c(C)nn(C)c1OC)C(=O)[O-]	ZINC001588712256	983942875	/nfs/dbraw/zinc/94/28/75/983942875.db2.gz	ICVASSMYEYLLLR-ZETCQYMHSA-N	-1	0	254.242	0.533	20	30		CCEDRM
C=CC[C@@H](C(=O)OC)N1CCO[C@@H](CC(=O)[O-])C1	ZINC001588731024	984004323	/nfs/dbraw/zinc/00/43/23/984004323.db2.gz	BPZPYBOSRRGBRN-UWVGGRQHSA-N	-1	0	257.286	0.280	20	30		CCEDRM
C=CC[C@H](C(=O)[O-])N1CCO[C@@H](Cn2ccnn2)C1	ZINC001588731599	984009204	/nfs/dbraw/zinc/00/92/04/984009204.db2.gz	LCTGOKASNLINNI-GHMZBOCLSA-N	-1	0	266.301	0.008	20	30		CCEDRM
C=CC[C@H](NC(=O)[C@H]1C[C@H]1C(=O)[O-])C(=O)OCC	ZINC001588743521	984037903	/nfs/dbraw/zinc/03/79/03/984037903.db2.gz	ZGEPPQCKWQHFOV-YIZRAAEISA-N	-1	0	255.270	0.331	20	30		CCEDRM
C=CC[C@@H](N[C@@H](C)c1nnnn1C1CC1)C(=O)[O-]	ZINC001588745537	984052893	/nfs/dbraw/zinc/05/28/93/984052893.db2.gz	KINJHYLBRPBSKK-IONNQARKSA-N	-1	0	251.290	0.688	20	30		CCEDRM
C=CC[C@@H](NCc1cc(C(=O)[O-])no1)C(=O)OCC	ZINC001588749250	984064362	/nfs/dbraw/zinc/06/43/62/984064362.db2.gz	GXOKLODDORSLKD-SECBINFHSA-N	-1	0	268.269	0.970	20	30		CCEDRM
C=CC[C@H](NCc1noc2c1COCC2)C(=O)[O-]	ZINC001588749819	984068013	/nfs/dbraw/zinc/06/80/13/984068013.db2.gz	RAOKBBJQDOYROX-VIFPVBQESA-N	-1	0	252.270	0.866	20	30		CCEDRM
C=CC[C@H](OC(=O)CS(=O)(=O)CC(C)C)C(=O)[O-]	ZINC001588753164	984082982	/nfs/dbraw/zinc/08/29/82/984082982.db2.gz	BELQSSIUCWPMEX-VIFPVBQESA-N	-1	0	278.326	0.630	20	30		CCEDRM
C=CC[C@H](OC(=O)[C@@H]1CCc2nnc(C)n2C1)C(=O)[O-]	ZINC001588753246	984084111	/nfs/dbraw/zinc/08/41/11/984084111.db2.gz	DAPLNBBFYYDGDO-ZJUUUORDSA-N	-1	0	279.296	0.721	20	30		CCEDRM
C=CC[C@@H](OC(=O)Cn1c(C)cc(O)cc1=O)C(=O)[O-]	ZINC001588754016	984091227	/nfs/dbraw/zinc/09/12/27/984091227.db2.gz	RIEHNYMORQDDGZ-SNVBAGLBSA-N	-1	0	281.264	0.435	20	30		CCEDRM
C=CC[C@@H](OC(=O)c1cc(OC)ncn1)C(=O)[O-]	ZINC001588756048	984096605	/nfs/dbraw/zinc/09/66/05/984096605.db2.gz	GHYBIYLMIRIYQH-MRVPVSSYSA-N	-1	0	252.226	0.671	20	30		CCEDRM
C=CC[C@H](OC(=O)[C@@H]1C[C@H](C)[C@@H](C(=O)OC)O1)C(=O)[O-]	ZINC001588757079	984101180	/nfs/dbraw/zinc/10/11/80/984101180.db2.gz	UUQQQUOGMHLRDD-XKNYDFJKSA-N	-1	0	286.280	0.526	20	30		CCEDRM
C=CCC1(O)CN(C(=O)c2c(C)coc2CC(=O)[O-])C1	ZINC001588770731	984135611	/nfs/dbraw/zinc/13/56/11/984135611.db2.gz	FEFTYOVLRQXDAE-UHFFFAOYSA-N	-1	0	279.292	0.978	20	30		CCEDRM
C=CC[C@H]1NC(=O)N([C@H]2CC=C(C(=O)[O-])C2)C1=O	ZINC001588774098	984150836	/nfs/dbraw/zinc/15/08/36/984150836.db2.gz	SSSHDHKNYXYIEQ-DTWKUNHWSA-N	-1	0	250.254	0.656	20	30		CCEDRM
CCNC(=O)CC(=O)O[C@@H](C(=O)[O-])c1cccc(C#N)c1	ZINC001596456078	984160457	/nfs/dbraw/zinc/16/04/57/984160457.db2.gz	DXINQTUNHOFQNM-CYBMUJFWSA-N	-1	0	290.275	0.753	20	30		CCEDRM
C=CCCC[C@@H](NC(=O)C[C@@H](N)C(F)F)C(=O)[O-]	ZINC001588789636	984199913	/nfs/dbraw/zinc/19/99/13/984199913.db2.gz	GWVRRRCNFRGCIR-HTQZYQBOSA-N	-1	0	264.272	0.895	20	30		CCEDRM
C=CCCC[C@H](NC(=O)c1cccn2nnnc12)C(=O)[O-]	ZINC001588793458	984218829	/nfs/dbraw/zinc/21/88/29/984218829.db2.gz	QWWOHZJGRCAZSV-JTQLQIEISA-N	-1	0	289.295	0.664	20	30		CCEDRM
C=CCCC[C@H](NS(=O)(=O)c1ccnn1C)C(=O)[O-]	ZINC001588798842	984239204	/nfs/dbraw/zinc/23/92/04/984239204.db2.gz	SJSVRQMPOZMHBB-VIFPVBQESA-N	-1	0	287.341	0.508	20	30		CCEDRM
C=CCN(CC(=O)OCC)C(=O)c1ccc(C(=O)[O-])n1C	ZINC001588824241	984298319	/nfs/dbraw/zinc/29/83/19/984298319.db2.gz	YXEGRSLTXOHTBS-UHFFFAOYSA-N	-1	0	294.307	0.915	20	30		CCEDRM
C=CCN1CCN(CN2CCOC[C@H]2CC(=O)[O-])C1=O	ZINC001588839260	984346141	/nfs/dbraw/zinc/34/61/41/984346141.db2.gz	QHJDQBYFFPPRTL-LLVKDONJSA-N	-1	0	283.328	0.043	20	30		CCEDRM
C=CCNC(=O)[C@@H](C)OC(=O)c1ccc(C(=O)[O-])nc1	ZINC001588839514	984347781	/nfs/dbraw/zinc/34/77/81/984347781.db2.gz	SNWDHOBJJQELHZ-MRVPVSSYSA-N	-1	0	278.264	0.627	20	30		CCEDRM
C=CCNC(=O)[C@@H](C)OC(=O)c1csc(C(=O)[O-])n1	ZINC001588839565	984348892	/nfs/dbraw/zinc/34/88/92/984348892.db2.gz	URRYSYCULYUENC-ZCFIWIBFSA-N	-1	0	284.293	0.689	20	30		CCEDRM
C=CCOCC(=O)N1[C@H]2C[C@@H](C(=O)[O-])O[C@H]2CC[C@H]1C	ZINC001588849944	984376618	/nfs/dbraw/zinc/37/66/18/984376618.db2.gz	QAHVGZUSRWUSMK-RHYQMDGZSA-N	-1	0	283.324	0.811	20	30		CCEDRM
C=CCOC[C@@H](NC(=O)[C@@](C)(OC)C1CC1)C(=O)[O-]	ZINC001588851048	984382369	/nfs/dbraw/zinc/38/23/69/984382369.db2.gz	QROXALFRFZVJEN-MFKMUULPSA-N	-1	0	271.313	0.574	20	30		CCEDRM
C=CCOC[C@H](NC(=O)[C@H]1CCCN(C(C)=O)C1)C(=O)[O-]	ZINC001588855839	984394728	/nfs/dbraw/zinc/39/47/28/984394728.db2.gz	PUZUPWYIMFKOLV-RYUDHWBXSA-N	-1	0	298.339	0.017	20	30		CCEDRM
C=CCOC[C@@H](NC(=O)c1c[nH]nc1CC)C(=O)[O-]	ZINC001588860022	984410067	/nfs/dbraw/zinc/41/00/67/984410067.db2.gz	GEFWAKXTPNYQLJ-SNVBAGLBSA-N	-1	0	267.285	0.358	20	30		CCEDRM
C=CCOC[C@@H](NC(=O)c1cncc(Cl)n1)C(=O)[O-]	ZINC001588860279	984412238	/nfs/dbraw/zinc/41/22/38/984412238.db2.gz	PDLBJAHUBDVCHY-MRVPVSSYSA-N	-1	0	285.687	0.516	20	30		CCEDRM
C=CCOC[C@H](NC(=O)c1cnc2nccn2c1)C(=O)[O-]	ZINC001588860589	984414037	/nfs/dbraw/zinc/41/40/37/984414037.db2.gz	ZSFWAIKMBHRKGC-JTQLQIEISA-N	-1	0	290.279	0.115	20	30		CCEDRM
C=CCOCc1nnc(N2CCO[C@H](CC(=O)[O-])C2)n1C	ZINC001588868611	984434245	/nfs/dbraw/zinc/43/42/45/984434245.db2.gz	MQNLIUFHDRAVTI-SNVBAGLBSA-N	-1	0	296.327	0.198	20	30		CCEDRM
C=CCOCCNC(=O)N1C[C@H](C)O[C@H](C(=O)[O-])C1	ZINC001588868910	984436437	/nfs/dbraw/zinc/43/64/37/984436437.db2.gz	FUOWZVBMJGMCMG-UWVGGRQHSA-N	-1	0	272.301	0.073	20	30		CCEDRM
C=CCn1cc(CN[C@H](C(=O)[O-])c2cccnc2)nn1	ZINC001588909181	984542801	/nfs/dbraw/zinc/54/28/01/984542801.db2.gz	NFSOWIXIVMVGDH-LBPRGKRZSA-N	-1	0	273.296	0.775	20	30		CCEDRM
C=CCn1cnnc1SCC(=O)CCC(=O)[O-]	ZINC001588909235	984542858	/nfs/dbraw/zinc/54/28/58/984542858.db2.gz	OGLGGPAXXFISFO-UHFFFAOYSA-N	-1	0	255.299	0.990	20	30		CCEDRM
C=CCn1cc(CNC(=O)c2ccoc2CC(=O)[O-])nn1	ZINC001588909249	984542949	/nfs/dbraw/zinc/54/29/49/984542949.db2.gz	PBOUHEXTKVHLMU-UHFFFAOYSA-N	-1	0	290.279	0.614	20	30		CCEDRM
C=CCn1cc(C(=O)Nc2cc(C(=O)[O-])n(C)n2)nn1	ZINC001588910381	984549032	/nfs/dbraw/zinc/54/90/32/984549032.db2.gz	VSFYQPUOIQNTEK-UHFFFAOYSA-N	-1	0	276.256	0.148	20	30		CCEDRM
C=CCn1nnn(CN(CCC)CC(=O)[O-])c1=S	ZINC001588912615	984552297	/nfs/dbraw/zinc/55/22/97/984552297.db2.gz	LDGDBTSMDSCQQG-UHFFFAOYSA-N	-1	0	271.346	0.749	20	30		CCEDRM
C=C[C@@H]1OCCC[C@H]1NC(=O)Nc1c(C(=O)[O-])cnn1C	ZINC001588914293	984557906	/nfs/dbraw/zinc/55/79/06/984557906.db2.gz	ULGJYSJRMGHZIJ-ZJUUUORDSA-N	-1	0	294.311	0.973	20	30		CCEDRM
C=C[C@@H]1OCC[C@H]1C(=O)NCC1(C(=O)[O-])CCOCC1	ZINC001588916495	984561004	/nfs/dbraw/zinc/56/10/04/984561004.db2.gz	PLPMOOPPKRZDLZ-MNOVXSKESA-N	-1	0	283.324	0.575	20	30		CCEDRM
C=C[C@@H]1OCC[C@H]1C(=O)N1CC[C@@H](OC)C[C@@H]1C(=O)[O-]	ZINC001588917312	984566434	/nfs/dbraw/zinc/56/64/34/984566434.db2.gz	WBCFJKWHJZJGMO-KKOKHZNYSA-N	-1	0	283.324	0.668	20	30		CCEDRM
C=C[C@H](CO)NC(=O)C(=O)Nc1cc(C(=O)[O-])cs1	ZINC001588919709	984573398	/nfs/dbraw/zinc/57/33/98/984573398.db2.gz	JOZNNPFBZWFGJZ-SSDOTTSWSA-N	-1	0	284.293	0.048	20	30		CCEDRM
CC#CCCCC(=O)N[C@H](CC(=O)OC)C(=O)[O-]	ZINC001588925570	984587582	/nfs/dbraw/zinc/58/75/82/984587582.db2.gz	SKTRECNESBEODC-SECBINFHSA-N	-1	0	255.270	0.313	20	30		CCEDRM
CC#CCCCC(=O)N1CCC[C@H](O)[C@@H]1C(=O)[O-]	ZINC001588925770	984588670	/nfs/dbraw/zinc/58/86/70/984588670.db2.gz	VRVMNSHPBDXCIC-CMPLNLGQSA-N	-1	0	253.298	0.617	20	30		CCEDRM
CC#CCCCC(=O)O[C@@H]1C[C@@H](C(=O)[O-])N(C)C1	ZINC001588926879	984594577	/nfs/dbraw/zinc/59/45/77/984594577.db2.gz	BDQRVUYRRBZDMG-MNOVXSKESA-N	-1	0	253.298	0.881	20	30		CCEDRM
CC#CCCNC(=O)Nc1ccn(CC(=O)[O-])n1	ZINC001588927093	984596397	/nfs/dbraw/zinc/59/63/97/984596397.db2.gz	MWLHUDNXDUTJEQ-UHFFFAOYSA-N	-1	0	250.258	0.503	20	30		CCEDRM
CC#CCCNC(=O)C(=O)Nc1ccc(CC(=O)[O-])cc1	ZINC001588927103	984596407	/nfs/dbraw/zinc/59/64/07/984596407.db2.gz	NCBLVBZTCMVBKQ-UHFFFAOYSA-N	-1	0	288.303	0.782	20	30		CCEDRM
CC#CCCN1CC[C@H](C(=O)[O-])C[C@H]1C(=O)OC	ZINC001588927325	984597872	/nfs/dbraw/zinc/59/78/72/984597872.db2.gz	SSJHGDUGLGBPFK-QWRGUYRKSA-N	-1	0	253.298	0.738	20	30		CCEDRM
CCOC(=O)[C@@H]1C[C@H]1CN(CC#N)CCC(=O)[O-]	ZINC001596685821	984786086	/nfs/dbraw/zinc/78/60/86/984786086.db2.gz	XFVYASCJTUWCMG-VHSXEESVSA-N	-1	0	254.286	0.486	20	30		CCEDRM
C/C(=C\CNC(=O)NC1CCN(CC#N)CC1)C(=O)[O-]	ZINC001588971931	984791012	/nfs/dbraw/zinc/79/10/12/984791012.db2.gz	KRMKGQUSFQTJPX-WTDSWWLTSA-N	-1	0	280.328	0.304	20	30		CCEDRM
CCO[C@H]1[C@H](C(=O)N2CCC(C#N)(C(=O)[O-])CC2)[C@@H]1C	ZINC001596797870	985303038	/nfs/dbraw/zinc/30/30/38/985303038.db2.gz	ZIHYMSDCZMFNEF-HBNTYKKESA-N	-1	0	280.324	0.874	20	30		CCEDRM
CC(=O)N[C@H]1CCN(Cc2cccc(C(=O)[O-])c2C#N)C1	ZINC001589121546	985396875	/nfs/dbraw/zinc/39/68/75/985396875.db2.gz	ZWVIBWRZTCZBNJ-LBPRGKRZSA-N	-1	0	287.319	0.967	20	30		CCEDRM
C[Si](C)(C)C#CCCNC(=O)Cn1ccc(C(=O)[O-])n1	ZINC001599940108	985443920	/nfs/dbraw/zinc/44/39/20/985443920.db2.gz	OIFFILFHAZIWAN-UHFFFAOYSA-N	-1	0	293.399	0.968	20	30		CCEDRM
C[C@H](C#N)C(=O)N1[C@H](C)SC[C@@H]1C(=O)NCCC(=O)[O-]	ZINC001589323564	986146433	/nfs/dbraw/zinc/14/64/33/986146433.db2.gz	FRTGJLFUGKGMTA-HRDYMLBCSA-N	-1	0	299.352	0.027	20	30		CCEDRM
C[C@H](C#N)C(=O)N(C)CCCNc1ncc(C(=O)[O-])cn1	ZINC001589323663	986147850	/nfs/dbraw/zinc/14/78/50/986147850.db2.gz	JKFYJOHUVQOBJU-SECBINFHSA-N	-1	0	291.311	0.595	20	30		CCEDRM
C[C@](C#N)(NC(=O)CN1C[C@@H](F)C[C@H]1C(=O)[O-])C1CC1	ZINC001589323710	986148911	/nfs/dbraw/zinc/14/89/11/986148911.db2.gz	KQYDFFYXAYEXRQ-OUJBWJOFSA-N	-1	0	283.303	0.292	20	30		CCEDRM
C[C@H](C#N)CN(C)C(=O)Nc1nn(C)cc1C(=O)[O-]	ZINC001589330127	986170273	/nfs/dbraw/zinc/17/02/73/986170273.db2.gz	YXCGDEGYSQWYGO-SSDOTTSWSA-N	-1	0	265.273	0.742	20	30		CCEDRM
C[C@H](C#N)CNC(=O)N1C[C@@H](C)O[C@H](C(=O)[O-])C1	ZINC001589330581	986174713	/nfs/dbraw/zinc/17/47/13/986174713.db2.gz	KEAHGNYJVFWYKC-HLTSFMKQSA-N	-1	0	255.274	0.030	20	30		CCEDRM
C[C@H](C#N)N(CN1C[C@@H](C(=O)[O-])OC1=O)C1CC1	ZINC001589331324	986184005	/nfs/dbraw/zinc/18/40/05/986184005.db2.gz	ATFODDPNKPPNNH-APPZFPTMSA-N	-1	0	253.258	0.226	20	30		CCEDRM
C[C@@H]1CN(c2ccnc(C(=O)[O-])n2)C[C@@H](C)N1CC#N	ZINC001594579827	986443465	/nfs/dbraw/zinc/44/34/65/986443465.db2.gz	WXOKUXCWYSNCKE-NXEZZACHSA-N	-1	0	275.312	0.597	20	30		CCEDRM
C[C@@H](C(=O)NCC(=O)[O-])N1CCC[C@@](C)(C#N)C1	ZINC001589397622	986540169	/nfs/dbraw/zinc/54/01/69/986540169.db2.gz	TXZXUOVUWAVZHR-CABZTGNLSA-N	-1	0	253.302	0.201	20	30		CCEDRM
CCC(=O)N1CCC[C@H](C(=O)N(CC#N)CCC(=O)[O-])C1	ZINC001594700675	987135971	/nfs/dbraw/zinc/13/59/71/987135971.db2.gz	ZEMWSWDUVFJANR-NSHDSACASA-N	-1	0	295.339	0.462	20	30		CCEDRM
CC[C@H](C#N)C(=O)N1CC[C@@H](OC)C[C@@H]1C(=O)[O-]	ZINC001594721752	987205097	/nfs/dbraw/zinc/20/50/97/987205097.db2.gz	BTAZBXSJGDAJAN-OPRDCNLKSA-N	-1	0	254.286	0.627	20	30		CCEDRM
C[C@@H](C(=O)OCc1ccc(C(=O)[O-])o1)n1cnc(C#N)n1	ZINC001589548351	987275953	/nfs/dbraw/zinc/27/59/53/987275953.db2.gz	ZZABDLPGZYQJTO-ZETCQYMHSA-N	-1	0	290.235	0.745	20	30		CCEDRM
CC(C)(C)C#CC(=O)NC[C@@H](C(=O)[O-])[C@@H]1CCOC1	ZINC001589684566	987722597	/nfs/dbraw/zinc/72/25/97/987722597.db2.gz	JRLLQBJYOOZRAW-GHMZBOCLSA-N	-1	0	267.325	0.889	20	30		CCEDRM
CCc1c[nH]c(=O)c(C(=O)N(CC#N)CCC(=O)[O-])c1	ZINC001597419546	987724046	/nfs/dbraw/zinc/72/40/46/987724046.db2.gz	CIWTWQOPFSZWHY-UHFFFAOYSA-N	-1	0	277.280	0.790	20	30		CCEDRM
CC(C)(C)CC(=O)NCC(=O)N(CC#N)CCC(=O)[O-]	ZINC001589740872	988012603	/nfs/dbraw/zinc/01/26/03/988012603.db2.gz	NLOHCHKLMQJPCA-UHFFFAOYSA-N	-1	0	283.328	0.366	20	30		CCEDRM
CCc1ccc(C#CC(=O)N2C[C@H](O)C[C@H]2C(=O)[O-])cc1	ZINC001597494733	988038256	/nfs/dbraw/zinc/03/82/56/988038256.db2.gz	HRYVZAPDXYILEV-KGLIPLIRSA-N	-1	0	287.315	0.647	20	30		CCEDRM
CC(C)(C)OC(=O)N1C[C@@H](C#N)[C@@H](NC(=O)CC(=O)[O-])C1	ZINC001589910073	988642976	/nfs/dbraw/zinc/64/29/76/988642976.db2.gz	VBERCQWNLVGZNK-BDAKNGLRSA-N	-1	0	297.311	0.336	20	30		CCEDRM
C[C@@H]1CN(C(=O)c2ccc(C#N)nc2)C[C@@H](C(=O)[O-])O1	ZINC001599863034	989200412	/nfs/dbraw/zinc/20/04/12/989200412.db2.gz	FQPQMRKAXBOUNK-KCJUWKMLSA-N	-1	0	275.264	0.267	20	30		CCEDRM
CC(C)(NS(=O)(=O)c1ccccc1CC#N)C(=O)[O-]	ZINC001590881082	990799756	/nfs/dbraw/zinc/79/97/56/990799756.db2.gz	UOGLSEDKIBWFLF-UHFFFAOYSA-N	-1	0	282.321	0.894	20	30		CCEDRM
CN(C)C[C@@](C)(C#N)NC(=O)[C@H]1CC[C@H]1C(=O)[O-]	ZINC001598199473	990808034	/nfs/dbraw/zinc/80/80/34/990808034.db2.gz	IFFAJDJEEYMOAV-YGOYTEALSA-N	-1	0	253.302	0.057	20	30		CCEDRM
CC(C)C#CC(=O)N[C@H](C[C@H]1CCCO1)C(=O)[O-]	ZINC001590927056	990929648	/nfs/dbraw/zinc/92/96/48/990929648.db2.gz	PZKGYDISBDLYRF-GHMZBOCLSA-N	-1	0	253.298	0.784	20	30		CCEDRM
CC(C)[C@@H](C#N)OC(=O)Cn1ccc(C(=O)[O-])n1	ZINC001590953449	991019484	/nfs/dbraw/zinc/01/94/84/991019484.db2.gz	PQBXEIJGQLVCBC-SECBINFHSA-N	-1	0	251.242	0.673	20	30		CCEDRM
CN(C)c1cc(C#N)cc(C(=O)N[C@@](C)(CO)C(=O)[O-])c1	ZINC001598287195	991186008	/nfs/dbraw/zinc/18/60/08/991186008.db2.gz	BOVZYNRGMLNVGH-AWEZNQCLSA-N	-1	0	291.307	0.190	20	30		CCEDRM
CN(C)c1ccc(C#N)cc1CN1CCO[C@H](C(=O)[O-])C1	ZINC001598307688	991275774	/nfs/dbraw/zinc/27/57/74/991275774.db2.gz	GATCIHCWJRQSFU-AWEZNQCLSA-N	-1	0	289.335	0.910	20	30		CCEDRM
CN(CC#N)CN1C[C@H](c2ccccc2)[C@@H](C(=O)[O-])C1=O	ZINC001598376602	991567719	/nfs/dbraw/zinc/56/77/19/991567719.db2.gz	WTQULVLAJCHEJI-CHWSQXEVSA-N	-1	0	287.319	0.726	20	30		CCEDRM
CN(C[C@@H](O)c1cccc(C#N)c1)C(=O)C1(C(=O)[O-])CC1	ZINC001598437270	991843375	/nfs/dbraw/zinc/84/33/75/991843375.db2.gz	PONYXDKYGAECMR-GFCCVEGCSA-N	-1	0	288.303	0.915	20	30		CCEDRM
CN(CN1C[C@@H](C(=O)[O-])OC1=O)[C@@H]1CCC[C@@H]1C#N	ZINC001598503366	992465996	/nfs/dbraw/zinc/46/59/96/992465996.db2.gz	HHULREUBRBFJLL-BBBLOLIVSA-N	-1	0	267.285	0.473	20	30		CCEDRM
CC(C)N1C(=O)CC[C@H]1C(=O)N(CC#N)CCC(=O)[O-]	ZINC001591605907	992851844	/nfs/dbraw/zinc/85/18/44/992851844.db2.gz	ZDRMLRZLQSARKF-JTQLQIEISA-N	-1	0	281.312	0.213	20	30		CCEDRM
C[C@](O)(CNC(=O)c1ccsc1C#N)C(=O)[O-]	ZINC001593411704	995191716	/nfs/dbraw/zinc/19/17/16/995191716.db2.gz	MCDJMXANSFQFIW-JTQLQIEISA-N	-1	0	254.267	0.185	20	30		CCEDRM
CC(C)[C@](C)(C#N)NC(=O)[C@H](C)OC(=O)C1(C(=O)[O-])CC1	ZINC001593490178	995453148	/nfs/dbraw/zinc/45/31/48/995453148.db2.gz	ATWMZWBSGIEQTD-ZANVPECISA-N	-1	0	296.323	0.837	20	30		CCEDRM
COC(=O)[C@H]1C[C@@H](C(=O)[O-])CCN1CC1(C#N)CC1	ZINC001598749975	995639287	/nfs/dbraw/zinc/63/92/87/995639287.db2.gz	JHQRLSRYOFKPGW-VHSXEESVSA-N	-1	0	266.297	0.628	20	30		CCEDRM
C[C@@H](OC(=O)c1ccc(CC#N)cc1)C(=O)C(=O)[O-]	ZINC001593579317	995694437	/nfs/dbraw/zinc/69/44/37/995694437.db2.gz	XQOUTSNWPKQYBA-MRVPVSSYSA-N	-1	0	261.233	0.952	20	30		CCEDRM
C[C@@H](OC(=O)c1cccc(C#N)c1)C(=O)NCC(=O)[O-]	ZINC001593586068	995706472	/nfs/dbraw/zinc/70/64/72/995706472.db2.gz	NJMLMUYPWXCWHH-MRVPVSSYSA-N	-1	0	276.248	0.304	20	30		CCEDRM
COC(=O)[C@@H]1C[C@H](C(=O)[O-])CCN1CCO[C@@H](C)C#N	ZINC001598762091	995787796	/nfs/dbraw/zinc/78/77/96/995787796.db2.gz	TYJLNLBMCBENQT-AXFHLTTASA-N	-1	0	284.312	0.253	20	30		CCEDRM
C[C@@H](Oc1ccc(C#N)cc1)C(=O)N[C@H](CF)C(=O)[O-]	ZINC001593611493	995808058	/nfs/dbraw/zinc/80/80/58/995808058.db2.gz	CIBVNEJWXXTTRS-LDYMZIIASA-N	-1	0	280.255	0.864	20	30		CCEDRM
C[C@H](c1cccc(C#N)c1)N(C)CC(=O)NCC(=O)[O-]	ZINC001593698114	996161109	/nfs/dbraw/zinc/16/11/09/996161109.db2.gz	GCGMKYUVYIQCMY-SNVBAGLBSA-N	-1	0	275.308	0.752	20	30		CCEDRM
C[C@@]1(C#N)CN(C(=O)NCCCCCC(=O)[O-])CCO1	ZINC001593742737	996361740	/nfs/dbraw/zinc/36/17/40/996361740.db2.gz	CNRMWRORCHXLNO-CYBMUJFWSA-N	-1	0	283.328	0.955	20	30		CCEDRM
COC(=O)[C@H]1CN(c2snc(C)c2C#N)C[C@H]1C(=O)[O-]	ZINC001598827579	996399440	/nfs/dbraw/zinc/39/94/40/996399440.db2.gz	NNPZHHUHXRUCHA-BDAKNGLRSA-N	-1	0	295.320	0.633	20	30		CCEDRM
COC(=O)CC[C@@H](NC(=O)[C@@H](C)CC#N)C(=O)[O-]	ZINC001598856012	996639341	/nfs/dbraw/zinc/63/93/41/996639341.db2.gz	QHSJMPBGXOSKPI-JGVFFNPUSA-N	-1	0	256.258	0.059	20	30		CCEDRM
CC1(C)C[C@]1(C#N)NC(=O)[C@H]1CC[C@@H](C(=O)[O-])O1	ZINC001593863595	996663838	/nfs/dbraw/zinc/66/38/38/996663838.db2.gz	KOEVUDNKRSCXGF-RGNHYFCHSA-N	-1	0	252.270	0.427	20	30		CCEDRM
COC(=O)[C@@H](CCC(=O)[O-])NC(=O)C#Cc1cccs1	ZINC001598891545	997002051	/nfs/dbraw/zinc/00/20/51/997002051.db2.gz	OCMUASIUGBMJMW-SNVBAGLBSA-N	-1	0	295.316	0.622	20	30		CCEDRM
CON=CC(=O)N(C)c1nc(CC(=O)[O-])cs1	ZINC001599320673	997576072	/nfs/dbraw/zinc/57/60/72/997576072.db2.gz	SLKFFHDOUWFONW-UHFFFAOYSA-N	-1	0	257.271	0.365	20	30		CCEDRM
CO[C@@H]1CN([C@H](C(=O)[O-])c2ccc(C#N)cc2)CCO1	ZINC001599131144	997947993	/nfs/dbraw/zinc/94/79/93/997947993.db2.gz	NFGABEDWRCFSSQ-STQMWFEESA-N	-1	0	276.292	0.989	20	30		CCEDRM
COc1cc(C#N)ccc1C(=O)N[C@](C)(CO)C(=O)[O-]	ZINC001599349564	998069738	/nfs/dbraw/zinc/06/97/38/998069738.db2.gz	VNEIOVRFRCVXPT-CYBMUJFWSA-N	-1	0	278.264	0.132	20	30		CCEDRM
COCC#CCOC(=O)c1ccc(OCC(=O)[O-])cc1	ZINC001599141804	998144051	/nfs/dbraw/zinc/14/40/51/998144051.db2.gz	VKUBLNSVDGWZDQ-UHFFFAOYSA-N	-1	0	278.260	0.957	20	30		CCEDRM
C[C@H]1[C@@H](C(=O)[O-])CCN1C(=O)CNc1ccc(C#N)cn1	ZINC001594147702	998499053	/nfs/dbraw/zinc/49/90/53/998499053.db2.gz	UXVMMELBAOFZHJ-ONGXEEELSA-N	-1	0	288.307	0.687	20	30		CCEDRM
COCC(COC)N[C@H](C(=O)[O-])c1ccc(C#N)cc1	ZINC001599166945	998555853	/nfs/dbraw/zinc/55/58/53/998555853.db2.gz	QWTIXJLSGLPMBX-ZDUSSCGKSA-N	-1	0	278.308	0.935	20	30		CCEDRM
COC(=O)c1coc([C@@H](C)N(CC#N)CCC(=O)[O-])n1	ZINC001599014827	998929545	/nfs/dbraw/zinc/92/95/45/998929545.db2.gz	VSVZFZMNEHABTF-MRVPVSSYSA-N	-1	0	281.268	0.822	20	30		CCEDRM
C[C@@H]1CC(NC(=O)CCc2ocnc2C(=O)[O-])=NO1	ZINC001594254108	998978423	/nfs/dbraw/zinc/97/84/23/998978423.db2.gz	XPPGBAKLXLHUPY-ZCFIWIBFSA-N	-1	0	267.241	0.544	20	30		CCEDRM
C[C@H]1CCCC[C@H]1NC(=O)CN(CC#N)CCC(=O)[O-]	ZINC001594365863	999382739	/nfs/dbraw/zinc/38/27/39/999382739.db2.gz	JTHDKVFCSGKEJQ-NWDGAFQWSA-N	-1	0	281.356	0.982	20	30		CCEDRM
C[C@H]1C[C@@H]1c1cc(=NC(=O)N=c2[n-]n(C)cc2C#N)[nH][nH]1	ZINC000617277173	365588356	/nfs/dbraw/zinc/58/83/56/365588356.db2.gz	ZUSXCZGVMILGOB-CBAPKCEASA-N	-1	0	285.311	0.626	20	30		CCEDRM
CCO[C@H](CS(=O)(=O)[N-]c1nn(C)cc1C#N)C1CC1	ZINC000600650358	362027277	/nfs/dbraw/zinc/02/72/77/362027277.db2.gz	IQBXGRQKUBSIGK-LLVKDONJSA-N	-1	0	298.368	0.849	20	30		CCEDRM
Cc1[n-][nH]c(=NC(=O)[C@@H](C)Cc2c[nH]cn2)c1C#N	ZINC000600825077	362072356	/nfs/dbraw/zinc/07/23/56/362072356.db2.gz	HTWUMQOQLXTKTF-ZETCQYMHSA-N	-1	0	258.285	0.552	20	30		CCEDRM
C[C@@H]1CN(S(=O)(=O)c2ncc[n-]2)C[C@@H](C)N1CC#N	ZINC000601492976	362289860	/nfs/dbraw/zinc/28/98/60/362289860.db2.gz	WJLYOMOLQMAZMX-NXEZZACHSA-N	-1	0	283.357	0.017	20	30		CCEDRM
Cn1nc(C(=O)N=c2[nH][n-]cc2C#N)cc1C1CC1	ZINC000601641947	362337313	/nfs/dbraw/zinc/33/73/13/362337313.db2.gz	UBLGRWAZDSPTHP-UHFFFAOYSA-N	-1	0	256.269	0.566	20	30		CCEDRM
C[C@@H]1CCCCN1C(=O)CCn1cc(C#N)c(=O)[n-]c1=O	ZINC000602031890	362464976	/nfs/dbraw/zinc/46/49/76/362464976.db2.gz	RXQNLQORGRADAW-SNVBAGLBSA-N	-1	0	290.323	0.612	20	30		CCEDRM
C[C@H](C1CC1)N(C)C(=O)CCn1cc(C#N)c(=O)[n-]c1=O	ZINC000602056486	362469694	/nfs/dbraw/zinc/46/96/94/362469694.db2.gz	HAOJWASDDSPJNP-SECBINFHSA-N	-1	0	290.323	0.468	20	30		CCEDRM
CCC[C@H](C)N(C)C(=O)CCn1cc(C#N)c(=O)[n-]c1=O	ZINC000602062154	362470527	/nfs/dbraw/zinc/47/05/27/362470527.db2.gz	YIISPAPMBPBLAP-JTQLQIEISA-N	-1	0	292.339	0.858	20	30		CCEDRM
C[C@@H]1C[C@@H](C)[C@@H](C(=O)Nc2nc(C#N)c(C#N)[n-]2)O1	ZINC000282259851	297239078	/nfs/dbraw/zinc/23/90/78/297239078.db2.gz	WMCXHXVBNWPPGB-XSSZXYGBSA-N	-1	0	259.269	0.905	20	30		CCEDRM
N#Cc1cn(CCC(=O)N2CCC(F)(F)C2)c(=O)[n-]c1=O	ZINC000602132730	362511231	/nfs/dbraw/zinc/51/12/31/362511231.db2.gz	LHHUBFYZUQDCLF-UHFFFAOYSA-N	-1	0	298.249	0.078	20	30		CCEDRM
C[C@@H]1CC(C)(C)CN1C(=O)Cn1cc(C#N)c(=O)[n-]c1=O	ZINC000602162441	362536236	/nfs/dbraw/zinc/53/62/36/362536236.db2.gz	PZVYHZWZGKWBBF-SECBINFHSA-N	-1	0	290.323	0.468	20	30		CCEDRM
C[C@](O)(CNC(=O)Nc1ccc(C#N)c(F)c1)C(=O)[O-]	ZINC000263305366	137063460	/nfs/dbraw/zinc/06/34/60/137063460.db2.gz	DYMFDVQLVRATLH-LBPRGKRZSA-N	-1	0	281.243	0.654	20	30		CCEDRM
C[C@@H](CC#N)NCC1=Nc2ccccc2S(=O)(=O)[N-]1	ZINC000602870738	362852608	/nfs/dbraw/zinc/85/26/08/362852608.db2.gz	WDUKCGSWJRIUTJ-VIFPVBQESA-N	-1	0	278.337	0.900	20	30		CCEDRM
C[C@@H]1C[C@H](NC(=O)N=c2[n-]n(C)cc2C#N)[C@H](C)O1	ZINC000602884173	362862963	/nfs/dbraw/zinc/86/29/63/362862963.db2.gz	VNTOYGDCPFIWKU-WEDXCCLWSA-N	-1	0	263.301	0.401	20	30		CCEDRM
Cn1cc(C#N)c(=NC(=O)N2CCC[C@@H](CCO)CC2)[n-]1	ZINC000602886687	362866118	/nfs/dbraw/zinc/86/61/18/362866118.db2.gz	MKGGPAFLHQHAMI-LLVKDONJSA-N	-1	0	291.355	0.730	20	30		CCEDRM
C[C@@H]1C[C@H](CNC(=O)N=c2[n-]n(C)cc2C#N)[C@H](C)O1	ZINC000602888413	362867433	/nfs/dbraw/zinc/86/74/33/362867433.db2.gz	URIRSWDCILMEKK-KXUCPTDWSA-N	-1	0	277.328	0.649	20	30		CCEDRM
Cn1cc(C#N)c(=NC(=O)N2CC[C@@H](CCCO)C2)[n-]1	ZINC000602878916	362859231	/nfs/dbraw/zinc/85/92/31/362859231.db2.gz	CIJJQLCEZIUUBW-SNVBAGLBSA-N	-1	0	277.328	0.340	20	30		CCEDRM
CO[C@H]1CCN(C(=O)N=c2[n-]n(C)cc2C#N)C[C@H]1C	ZINC000602880835	362860581	/nfs/dbraw/zinc/86/05/81/362860581.db2.gz	MVWOGEGGRXQBRW-KOLCDFICSA-N	-1	0	277.328	0.602	20	30		CCEDRM
C[C@@H](OCC1CC1)C(=O)Nc1nc(C#N)c(C#N)[n-]1	ZINC000049137456	348443469	/nfs/dbraw/zinc/44/34/69/348443469.db2.gz	DKSVVIYCJOVTMA-SSDOTTSWSA-N	-1	0	259.269	0.907	20	30		CCEDRM
C[C@@H](C(=O)[O-])N(C)S(=O)(=O)c1ccc(C#N)cc1	ZINC000054053305	348539474	/nfs/dbraw/zinc/53/94/74/348539474.db2.gz	WTNIZKZLXNQWML-QMMMGPOBSA-N	-1	0	268.294	0.652	20	30		CCEDRM
Cc1ccc(C#N)cc1S(=O)(=O)N(C)CCC(=O)[O-]	ZINC000070535765	348891854	/nfs/dbraw/zinc/89/18/54/348891854.db2.gz	XQGIFAWEKDNZOV-UHFFFAOYSA-N	-1	0	282.321	0.962	20	30		CCEDRM
C[C@@H](NS(=O)(=O)c1ccc(F)c(C#N)c1)C(=O)[O-]	ZINC000071238330	348905892	/nfs/dbraw/zinc/90/58/92/348905892.db2.gz	KPVNGYCWJVJNJN-ZCFIWIBFSA-N	-1	0	272.257	0.449	20	30		CCEDRM
N#Cc1cc(O)cc(C(=O)N[C@H](CO)C[NH+]2CCCC2)c1	ZINC000603051421	362946727	/nfs/dbraw/zinc/94/67/27/362946727.db2.gz	CWKUNZSFRCYVFB-ZDUSSCGKSA-N	-1	0	289.335	0.450	20	30		CCEDRM
N#Cc1nc(NC(=O)CN2CCCCC2=O)[n-]c1C#N	ZINC000124719097	350106653	/nfs/dbraw/zinc/10/66/53/350106653.db2.gz	KSEDWNXEABZSAD-UHFFFAOYSA-N	-1	0	272.268	0.104	20	30		CCEDRM
N#Cc1cccc(N2CCO[C@@H](C(=O)[O-])C2)c1[N+](=O)[O-]	ZINC000125768728	350129583	/nfs/dbraw/zinc/12/95/83/350129583.db2.gz	YCGFJCLMRRQWLK-SNVBAGLBSA-N	-1	0	277.236	0.756	20	30		CCEDRM
Cc1[n-]n(C)c(=O)c1C(=O)Nc1cccc(C#N)c1	ZINC000130612855	350242542	/nfs/dbraw/zinc/24/25/42/350242542.db2.gz	DISZYCZHUPGDMQ-LLVKDONJSA-N	-1	0	256.265	0.961	20	30		CCEDRM
C=CCCCN(C)S(=O)(=O)c1n[nH]cc1C(=O)[O-]	ZINC000135971547	350410845	/nfs/dbraw/zinc/41/08/45/350410845.db2.gz	ZPZHHGAFFAQKKY-UHFFFAOYSA-N	-1	0	273.314	0.695	20	30		CCEDRM
C=C(C)CN(CC)C(=O)CSc1n[nH]c(=O)[n-]1	ZINC000187642354	351549836	/nfs/dbraw/zinc/54/98/36/351549836.db2.gz	SYOLPZDUQNBSNN-UHFFFAOYSA-N	-1	0	256.331	0.615	20	30		CCEDRM
CC(C)n1cc(S(=O)(=O)[N-]c2nn(C)cc2C#N)cn1	ZINC000123372785	187087850	/nfs/dbraw/zinc/08/78/50/187087850.db2.gz	OTSREMBRZRTXNY-UHFFFAOYSA-N	-1	0	294.340	0.870	20	30		CCEDRM
C=C(C)CN(CC)S(=O)(=O)N1CCC[C@@H](C(=O)[O-])C1	ZINC000225030893	351999188	/nfs/dbraw/zinc/99/91/88/351999188.db2.gz	VTKRHANWBSGKNW-LLVKDONJSA-N	-1	0	290.385	0.926	20	30		CCEDRM
CCCC[C@H](NS(=O)(=O)c1cccnc1C#N)C(=O)[O-]	ZINC000225841968	352015466	/nfs/dbraw/zinc/01/54/66/352015466.db2.gz	FLZSMQINFRCAJD-VIFPVBQESA-N	-1	0	297.336	0.875	20	30		CCEDRM
C[C@H]1[C@H](C(=O)[O-])CCN1S(=O)(=O)c1ccc(C#N)nc1	ZINC000228698531	352080664	/nfs/dbraw/zinc/08/06/64/352080664.db2.gz	QWGXOJWEJNYKQI-GZMMTYOYSA-N	-1	0	295.320	0.437	20	30		CCEDRM
C#C[C@H](CCC)NS(=O)(=O)[N-]CC(F)(F)F	ZINC000229959901	352098254	/nfs/dbraw/zinc/09/82/54/352098254.db2.gz	FYPKDMUIGIBEBM-SSDOTTSWSA-N	-1	0	258.265	0.775	20	30		CCEDRM
N#Cc1ncccc1S(=O)(=O)NCC1(CO)CC1	ZINC000236492699	352195987	/nfs/dbraw/zinc/19/59/87/352195987.db2.gz	UKMFUSABZCAQMR-UHFFFAOYSA-N	-1	0	267.310	0.004	20	30		CCEDRM
C=CC[C@@H](NS(=O)(=O)c1ccc2c(c1)OCO2)C(=O)[O-]	ZINC000274896188	353171124	/nfs/dbraw/zinc/17/11/24/353171124.db2.gz	HEKRSWCXWCZRNL-SECBINFHSA-N	-1	0	299.304	0.723	20	30		CCEDRM
C#CCN(C)C(=O)C(C)(C)[N-]C(=O)C(F)(F)F	ZINC000277296621	353234982	/nfs/dbraw/zinc/23/49/82/353234982.db2.gz	JLMXWPMMXJXNJL-UHFFFAOYSA-N	-1	0	250.220	0.535	20	30		CCEDRM
CCN([C@H](C)CC(=O)[O-])S(=O)(=O)c1ccc(C#N)nc1	ZINC000159690050	188437647	/nfs/dbraw/zinc/43/76/47/188437647.db2.gz	IDGUYTWPXODYNY-SECBINFHSA-N	-1	0	297.336	0.827	20	30		CCEDRM
N#Cc1cnc(N2CCC[C@H](c3nc(=O)[n-][nH]3)C2)cn1	ZINC000285521270	353560091	/nfs/dbraw/zinc/56/00/91/353560091.db2.gz	GPHOHELMCVNDAC-QMMMGPOBSA-N	-1	0	271.284	0.144	20	30		CCEDRM
N#Cc1ccc(S(=O)(=O)N[C@H](CC2CC2)C(=O)[O-])o1	ZINC000287430085	353646091	/nfs/dbraw/zinc/64/60/91/353646091.db2.gz	GSVDVAFCEXXPCZ-SECBINFHSA-N	-1	0	284.293	0.683	20	30		CCEDRM
N#Cc1cncc(S(=O)(=O)N2CSC[C@H]2C(=O)[O-])c1	ZINC000290738785	353746176	/nfs/dbraw/zinc/74/61/76/353746176.db2.gz	WWXQHLAMQDRVNZ-VIFPVBQESA-N	-1	0	299.333	0.101	20	30		CCEDRM
C[C@H](C(=O)N(C)C)S(=O)(=O)[N-]c1ccccc1C#N	ZINC000330499430	354382313	/nfs/dbraw/zinc/38/23/13/354382313.db2.gz	IKOWRUVEXUCPEZ-SECBINFHSA-N	-1	0	281.337	0.777	20	30		CCEDRM
CN1CC[C@H](C(=O)N=c2[nH][n-]c(C3CC3)c2C#N)CC1=O	ZINC000557929781	291047662	/nfs/dbraw/zinc/04/76/62/291047662.db2.gz	XFSKELOSDMHRKW-VIFPVBQESA-N	-1	0	287.323	0.388	20	30		CCEDRM
C=CCCn1cc(Cn2[n-]c(SC)nc2=O)nn1	ZINC000655500887	412600066	/nfs/dbraw/zinc/60/00/66/412600066.db2.gz	JDLSCTIPLGUZJT-UHFFFAOYSA-N	-1	0	266.330	0.509	20	30		CCEDRM
C[C@@H]1CN(C(=O)N=c2[n-]n(C)cc2C#N)C[C@H](C2CC2)O1	ZINC000619320231	366235633	/nfs/dbraw/zinc/23/56/33/366235633.db2.gz	VDYJNPLXLQKXSJ-BXKDBHETSA-N	-1	0	289.339	0.745	20	30		CCEDRM
Cc1occc1C(=O)NCC(=O)Nc1nc(C#N)c(C#N)[n-]1	ZINC000339078841	355483721	/nfs/dbraw/zinc/48/37/21/355483721.db2.gz	KNXDCWGVYXAIHN-UHFFFAOYSA-N	-1	0	298.262	0.423	20	30		CCEDRM
Cc1cc(=NC(=O)[C@@H](C)n2cnc(C#N)n2)[n-]nc1C	ZINC000341440231	355672143	/nfs/dbraw/zinc/67/21/43/355672143.db2.gz	LTYHWFJTAZFJIK-SECBINFHSA-N	-1	0	271.284	0.178	20	30		CCEDRM
Cn1nccc1CCC(=O)Nc1nc(C#N)c(C#N)[n-]1	ZINC000361387139	138033850	/nfs/dbraw/zinc/03/38/50/138033850.db2.gz	TWIKNSVWLNIXCZ-UHFFFAOYSA-N	-1	0	269.268	0.458	20	30		CCEDRM
N#Cc1ccc(C[C@H](C#N)C(=O)NCc2nnn[n-]2)cc1	ZINC000619372174	366242023	/nfs/dbraw/zinc/24/20/23/366242023.db2.gz	YYIOMMLMRRYSIN-LLVKDONJSA-N	-1	0	281.279	0.070	20	30		CCEDRM
COCCN(CC(=O)[O-])C(=O)C1(C#N)CCCC1	ZINC000619423750	366249705	/nfs/dbraw/zinc/24/97/05/366249705.db2.gz	SAXWICZHRUYMGT-UHFFFAOYSA-N	-1	0	254.286	0.630	20	30		CCEDRM
CCC(=O)N[C@@H](C)C(=O)N=c1[n-]n(C(C)(C)C)cc1C#N	ZINC000619749506	366348073	/nfs/dbraw/zinc/34/80/73/366348073.db2.gz	VVDCGOSPCZUUIE-VIFPVBQESA-N	-1	0	291.355	0.785	20	30		CCEDRM
Cn1cc(C#N)c(=NC(=O)NCC(F)(F)C(F)F)[n-]1	ZINC000619789401	366354559	/nfs/dbraw/zinc/35/45/59/366354559.db2.gz	ZCLCILYRAVNLGY-UHFFFAOYSA-N	-1	0	279.197	0.736	20	30		CCEDRM
Cn1ncc(C(=O)NC2(c3nnn[n-]3)CCCC2)c1C#N	ZINC000356156222	356713381	/nfs/dbraw/zinc/71/33/81/356713381.db2.gz	JMZUNLYEWCEEQA-UHFFFAOYSA-N	-1	0	286.299	0.004	20	30		CCEDRM
Cn1cc(C(=O)CCC(=O)Nc2nc(C#N)c(C#N)[n-]2)cn1	ZINC000359223005	356788943	/nfs/dbraw/zinc/78/89/43/356788943.db2.gz	QEULNQFHWLBMJA-UHFFFAOYSA-N	-1	0	297.278	0.488	20	30		CCEDRM
CN(Cc1cnn(C)c1)C(=O)N=c1[n-]n(C)cc1C#N	ZINC000610527937	363572663	/nfs/dbraw/zinc/57/26/63/363572663.db2.gz	AVECRLJJOOYIBX-UHFFFAOYSA-N	-1	0	273.300	0.111	20	30		CCEDRM
Cn1cc(C#N)c(=NC(=O)N2CCC[C@@H](c3cc[nH]n3)C2)[n-]1	ZINC000610562942	363577823	/nfs/dbraw/zinc/57/78/23/363577823.db2.gz	LYAUBTUWLFDACI-SNVBAGLBSA-N	-1	0	299.338	0.848	20	30		CCEDRM
C[C@@H](NC(=O)N=c1[n-]n(C)cc1C#N)C(=O)OC(C)(C)C	ZINC000610560337	363574435	/nfs/dbraw/zinc/57/44/35/363574435.db2.gz	BBCHFVXVMXYURO-MRVPVSSYSA-N	-1	0	293.327	0.565	20	30		CCEDRM
Cn1cc(C#N)c(=NC(=O)N2CCCSCC2)[n-]1	ZINC000610561428	363576580	/nfs/dbraw/zinc/57/65/80/363576580.db2.gz	VVFGJGYIWSBRSU-UHFFFAOYSA-N	-1	0	265.342	0.684	20	30		CCEDRM
C[C@H]1OCC[C@@H]1C(=O)N=c1[nH][n-]c(C2CC2)c1C#N	ZINC000408173210	357953089	/nfs/dbraw/zinc/95/30/89/357953089.db2.gz	HJZCKQXKEJPHMR-APPZFPTMSA-N	-1	0	260.297	0.944	20	30		CCEDRM
C=CCS(=O)(=O)[N-]C(=O)/C=C/c1cnc(OC)nc1	ZINC000492712655	358303056	/nfs/dbraw/zinc/30/30/56/358303056.db2.gz	VOBCTQVYMAACTE-SNAWJCMRSA-N	-1	0	283.309	0.130	20	30		CCEDRM
N#Cc1cc(F)ccc1CS(=O)(=O)N1CC[C@H]1C(=O)[O-]	ZINC000569009115	358726294	/nfs/dbraw/zinc/72/62/94/358726294.db2.gz	WYFHUTSMCJGPKP-NSHDSACASA-N	-1	0	298.295	0.686	20	30		CCEDRM
C=CCN(CC=C)C(=O)C(=O)N1CC[C@H](C)[C@H](C(=O)[O-])C1	ZINC000572158236	358927361	/nfs/dbraw/zinc/92/73/61/358927361.db2.gz	GPCNSPNTBRQEHE-NWDGAFQWSA-N	-1	0	294.351	0.756	20	30		CCEDRM
C=C(C)CS(=O)(=O)N1CCc2onc(C(=O)[O-])c2C1	ZINC000573211084	358948897	/nfs/dbraw/zinc/94/88/97/358948897.db2.gz	CEZXCZVEYIIXMS-UHFFFAOYSA-N	-1	0	286.309	0.637	20	30		CCEDRM
CC(C)N([C@H](C)C(=O)[O-])S(=O)(=O)N(C)C[C@H](C)C#N	ZINC000580837152	359100271	/nfs/dbraw/zinc/10/02/71/359100271.db2.gz	NSCZIHWKVVVBGS-NXEZZACHSA-N	-1	0	291.373	0.506	20	30		CCEDRM
CN(CCC(=O)[O-])S(=O)(=O)Cc1ccc(CC#N)cc1	ZINC000580952197	359113183	/nfs/dbraw/zinc/11/31/83/359113183.db2.gz	NKHIVLDCAPGWBL-UHFFFAOYSA-N	-1	0	296.348	0.989	20	30		CCEDRM
Cn1cc(C#N)c(=NC(=O)N[C@@H]2CCOC3(CCC3)C2)[n-]1	ZINC000610876663	363624929	/nfs/dbraw/zinc/62/49/29/363624929.db2.gz	LTTHVBGVJGZKFL-LLVKDONJSA-N	-1	0	289.339	0.937	20	30		CCEDRM
N#Cc1ccc(Cl)c(C(=O)NCc2nnn[n-]2)c1	ZINC000586779322	359289391	/nfs/dbraw/zinc/28/93/91/359289391.db2.gz	KWYSBWQYVSLJKT-UHFFFAOYSA-N	-1	0	262.660	0.655	20	30		CCEDRM
C[C@H](O)[C@H]1CCCN(C(=O)N=c2[n-]n(C)cc2C#N)C1	ZINC000610964593	363638593	/nfs/dbraw/zinc/63/85/93/363638593.db2.gz	FDHDEVGMYBOEPJ-UWVGGRQHSA-N	-1	0	277.328	0.338	20	30		CCEDRM
CN(C)c1cc(C#N)cc(C(=O)NCc2nnn[n-]2)c1	ZINC000590239901	359432614	/nfs/dbraw/zinc/43/26/14/359432614.db2.gz	DRZREZOUYXEJON-UHFFFAOYSA-N	-1	0	271.284	0.067	20	30		CCEDRM
CCC(CC)(CO)CNC(=O)N=c1[n-]n(C)cc1C#N	ZINC000611075612	363656525	/nfs/dbraw/zinc/65/65/25/363656525.db2.gz	JTSMAXIRHNHMEO-UHFFFAOYSA-N	-1	0	279.344	0.634	20	30		CCEDRM
CS(=O)(=O)[N-]c1ccc(F)cc1C(=O)N1CC(C#N)C1	ZINC000590486699	359475401	/nfs/dbraw/zinc/47/54/01/359475401.db2.gz	ZBAQZYPXFDIBRK-UHFFFAOYSA-N	-1	0	297.311	0.793	20	30		CCEDRM
COC(=O)c1ccc(=NC(=O)NCC(C)(C)CC#N)[n-]n1	ZINC000590965683	359543925	/nfs/dbraw/zinc/54/39/25/359543925.db2.gz	JQPASKNDXOKBAM-UHFFFAOYSA-N	-1	0	291.311	0.746	20	30		CCEDRM
C=C(C)CCNC(=O)N=c1ccc(C(=O)OC)n[n-]1	ZINC000590833869	359528304	/nfs/dbraw/zinc/52/83/04/359528304.db2.gz	SKRFXHGJNQIGLE-UHFFFAOYSA-N	-1	0	264.285	0.773	20	30		CCEDRM
CN(CCC#N)S(=O)(=O)N1CCC(C)(C)[C@H]1C(=O)[O-]	ZINC000591244235	359573380	/nfs/dbraw/zinc/57/33/80/359573380.db2.gz	MRQOZZZVKPGBEA-SECBINFHSA-N	-1	0	289.357	0.262	20	30		CCEDRM
CCS(=O)(=O)CCCCCn1c(=O)[n-]cc(C#N)c1=O	ZINC000592354382	359823705	/nfs/dbraw/zinc/82/37/05/359823705.db2.gz	HLKRCDPOPCIAII-UHFFFAOYSA-N	-1	0	299.352	0.013	20	30		CCEDRM
Cc1c(C#N)c(=NC(=O)[C@@H]2C[C@H]2c2cnn(C)c2)[n-]n1C	ZINC000592648664	359909355	/nfs/dbraw/zinc/90/93/55/359909355.db2.gz	FZKZNPICECLTDH-WDEREUQCSA-N	-1	0	284.323	0.498	20	30		CCEDRM
N#Cc1c[n-]n2c1nc(CSCCCO)cc2=O	ZINC000298117360	200337954	/nfs/dbraw/zinc/33/79/54/200337954.db2.gz	BJTRFLFRQUWDCV-UHFFFAOYSA-N	-1	0	264.310	0.922	20	30		CCEDRM
N#CC1(CNC(=O)c2n[nH]c(=O)[n-]c2=O)CCCC1	ZINC000593774983	360149616	/nfs/dbraw/zinc/14/96/16/360149616.db2.gz	IXUZPVXRAYSUQK-UHFFFAOYSA-N	-1	0	263.257	0.097	20	30		CCEDRM
CC(C)[C@@H](CNC(=O)C(=O)NCC(C)(C)CC#N)C(=O)[O-]	ZINC000594531269	360327325	/nfs/dbraw/zinc/32/73/25/360327325.db2.gz	ZDOSYTNLBSAKHH-SNVBAGLBSA-N	-1	0	297.355	0.515	20	30		CCEDRM
CC#CCC[N-]S(=O)(=O)c1ncccc1[N+](=O)[O-]	ZINC000594773948	360380532	/nfs/dbraw/zinc/38/05/32/360380532.db2.gz	WONFTFMBWNXEGV-UHFFFAOYSA-N	-1	0	269.282	0.682	20	30		CCEDRM
C=CCCNC(=O)C(=O)N=c1[n-]n(C(C)(C)C)cc1C#N	ZINC000595116307	360439508	/nfs/dbraw/zinc/43/95/08/360439508.db2.gz	OZTRKQNHSXPVHY-UHFFFAOYSA-N	-1	0	289.339	0.562	20	30		CCEDRM
C=CCCSCCNC(=O)C(=O)NC[C@H](C)C(=O)[O-]	ZINC000595276880	360474290	/nfs/dbraw/zinc/47/42/90/360474290.db2.gz	WRWGQYNKEOARPA-VIFPVBQESA-N	-1	0	288.369	0.249	20	30		CCEDRM
N#CCCCCNC(=O)N1C[C@@H]2COC[C@]2(C(=O)[O-])C1	ZINC000595260530	360463186	/nfs/dbraw/zinc/46/31/86/360463186.db2.gz	BCGSHWQYJYAEDH-ZWNOBZJWSA-N	-1	0	281.312	0.423	20	30		CCEDRM
CN(CC(=O)Nc1sccc1C#N)Cc1n[n-]c(=O)o1	ZINC000595547406	360575672	/nfs/dbraw/zinc/57/56/72/360575672.db2.gz	NVMHRPHFZSYVOH-UHFFFAOYSA-N	-1	0	293.308	0.779	20	30		CCEDRM
N#Cc1ccc(NCC2(C(=O)[O-])CCOCC2)nc1N	ZINC000595968046	360742756	/nfs/dbraw/zinc/74/27/56/360742756.db2.gz	DNZZAGOSLJNKSI-UHFFFAOYSA-N	-1	0	276.296	0.251	20	30		CCEDRM
N#Cc1cccc(O[C@H]2CCN(CC(=O)[O-])C2=O)c1	ZINC000596011455	360774443	/nfs/dbraw/zinc/77/44/43/360774443.db2.gz	XXZVFMYKYGYKMT-NSHDSACASA-N	-1	0	260.249	0.623	20	30		CCEDRM
N#CC1(CS(=O)(=O)N2CC3(CCC3)[C@H]2C(=O)[O-])CC1	ZINC000596034983	360779259	/nfs/dbraw/zinc/77/92/59/360779259.db2.gz	PHOSJKNKEKAMLJ-SECBINFHSA-N	-1	0	284.337	0.559	20	30		CCEDRM
Cn1cc2c(n1)CCC[C@@H]2C(=O)N=c1[n-]n(C)cc1C#N	ZINC000329761770	202485202	/nfs/dbraw/zinc/48/52/02/202485202.db2.gz	RWMVIVAPVBQQHE-JTQLQIEISA-N	-1	0	284.323	0.506	20	30		CCEDRM
N#CCC1CN(C(=O)N=c2nc3ccccn3[n-]2)C1	ZINC000596824715	360962074	/nfs/dbraw/zinc/96/20/74/360962074.db2.gz	NAVVFKIHEWEGTJ-UHFFFAOYSA-N	-1	0	256.269	0.529	20	30		CCEDRM
CC(C)(C)n1cnc(=NC(=O)N2CC(CC#N)C2)[n-]1	ZINC000596833453	360962981	/nfs/dbraw/zinc/96/29/81/360962981.db2.gz	NZLQHPFVCZQYRP-UHFFFAOYSA-N	-1	0	262.317	0.832	20	30		CCEDRM
C[C@@H](CC#N)C(=O)Nc1ccc(-n2nn[n-]c2=O)cc1	ZINC000597552741	361137101	/nfs/dbraw/zinc/13/71/01/361137101.db2.gz	KKNNJSIWOUDQCU-QMMMGPOBSA-N	-1	0	272.268	0.856	20	30		CCEDRM
CCOCCOCCCC(=O)Nc1nc(C#N)c(C#N)[n-]1	ZINC000598662466	361475132	/nfs/dbraw/zinc/47/51/32/361475132.db2.gz	GZPAJTJWKSGIHH-UHFFFAOYSA-N	-1	0	291.311	0.925	20	30		CCEDRM
N#Cc1c(C2CC2)[n-][nH]c1=NC(=O)[C@H]1CC[C@H]1C(N)=O	ZINC000598733720	361501162	/nfs/dbraw/zinc/50/11/62/361501162.db2.gz	CQFXFJQNOIIWQE-SFYZADRCSA-N	-1	0	273.296	0.031	20	30		CCEDRM
CNC(=O)c1n[nH]nc1NC(=O)CC1(C#N)CCCCC1	ZINC000598846297	361526114	/nfs/dbraw/zinc/52/61/14/361526114.db2.gz	VLIOGYDYAIBVAS-UHFFFAOYSA-N	-1	0	290.327	0.967	20	30		CCEDRM
COC(=O)c1cc(S(=O)(=O)[N-]CC(C)(C)C#N)on1	ZINC000599272923	361628366	/nfs/dbraw/zinc/62/83/66/361628366.db2.gz	WPQHZROOPBZGOA-UHFFFAOYSA-N	-1	0	287.297	0.289	20	30		CCEDRM
N#Cc1ccc(S(=O)(=O)N2C[C@H]3C[C@@]3(C(=O)[O-])C2)cn1	ZINC000564555210	291284098	/nfs/dbraw/zinc/28/40/98/291284098.db2.gz	URVFQJRUFWPQTP-PRHODGIISA-N	-1	0	293.304	0.048	20	30		CCEDRM
N#Cc1cc(F)ccc1S(=O)(=O)N1CC(C(=O)[O-])C1	ZINC000275149910	192934772	/nfs/dbraw/zinc/93/47/72/192934772.db2.gz	RRDREDABLPOONX-UHFFFAOYSA-N	-1	0	284.268	0.402	20	30		CCEDRM
CO[C@H]1CCCN(C(=O)N=c2[n-]n(C)cc2C#N)CC1	ZINC000611944440	363810384	/nfs/dbraw/zinc/81/03/84/363810384.db2.gz	OKGMTBNZYOTTFB-NSHDSACASA-N	-1	0	277.328	0.746	20	30		CCEDRM
Cn1cc(C#N)c(=NC(=O)N[C@H]2CCO[C@H](C3CC3)C2)[n-]1	ZINC000613205036	364157040	/nfs/dbraw/zinc/15/70/40/364157040.db2.gz	LPFDTMKFHOMXAW-RYUDHWBXSA-N	-1	0	289.339	0.793	20	30		CCEDRM
CN=c1[n-]nc(CC(=O)N2CC[C@@](F)(C#N)C2)s1	ZINC000615823753	365096561	/nfs/dbraw/zinc/09/65/61/365096561.db2.gz	YLEMYQUWPLFNJA-SNVBAGLBSA-N	-1	0	269.305	0.008	20	30		CCEDRM
C=CCN(CC(=O)[O-])S(=O)(=O)Cc1ccon1	ZINC000275399512	193022375	/nfs/dbraw/zinc/02/23/75/193022375.db2.gz	YWVTWYOOMNAZEB-UHFFFAOYSA-N	-1	0	260.271	0.077	20	30		CCEDRM
N#Cc1cc(F)ccc1S(=O)(=O)NC/C=C/C(=O)[O-]	ZINC000788448907	581111770	/nfs/dbraw/zinc/11/17/70/581111770.db2.gz	UKWOINIGFZCSQV-OWOJBTEDSA-N	-1	0	284.268	0.616	20	30		CCEDRM
N#Cc1c[n-]c(=O)n(Cc2ncc(C3CC3)o2)c1=O	ZINC000566219550	291378185	/nfs/dbraw/zinc/37/81/85/291378185.db2.gz	KSUPNPPFIPLLOE-UHFFFAOYSA-N	-1	0	258.237	0.322	20	30		CCEDRM
CO[C@@H](CC(C)C)Cn1c(=O)[n-]cc(C#N)c1=O	ZINC000566219323	291378455	/nfs/dbraw/zinc/37/84/55/291378455.db2.gz	HWPUJLMAZHWRDN-JTQLQIEISA-N	-1	0	251.286	0.469	20	30		CCEDRM
N#Cc1cc(F)ccc1S(=O)(=O)NC/C=C\C(=O)[O-]	ZINC000788448908	581112117	/nfs/dbraw/zinc/11/21/17/581112117.db2.gz	UKWOINIGFZCSQV-UPHRSURJSA-N	-1	0	284.268	0.616	20	30		CCEDRM
C=C(CC)CNC(=O)C(=O)N1CC[C@H](C(=O)[O-])[C@@H](C)C1	ZINC000627276865	368941383	/nfs/dbraw/zinc/94/13/83/368941383.db2.gz	QUPIKXJGVGUYRJ-QWRGUYRKSA-N	-1	0	282.340	0.638	20	30		CCEDRM
C=CC[C@H]1CC[N@@H+]([C@H]2CCN(CC(=O)[O-])C2=O)C1	ZINC000629500105	369684314	/nfs/dbraw/zinc/68/43/14/369684314.db2.gz	VRYTXRGKMIHOPG-QWRGUYRKSA-N	-1	0	252.314	0.570	20	30		CCEDRM
C=CCOC[C@H](NC(=O)[C@@H]1CCc2cccnc21)C(=O)[O-]	ZINC000630186843	369995898	/nfs/dbraw/zinc/99/58/98/369995898.db2.gz	CMAJZEXBTZMCHT-NEPJUHHUSA-N	-1	0	290.319	0.883	20	30		CCEDRM
C=CCOC[C@H](NC(=O)[C@@H]1C[C@@H](C)O[C@H]1C)C(=O)[O-]	ZINC000630186606	369996201	/nfs/dbraw/zinc/99/62/01/369996201.db2.gz	WLUSFPBMVHDHPF-YTWAJWBKSA-N	-1	0	271.313	0.572	20	30		CCEDRM
C=CCOC[C@@H](NC(=O)c1cc(C)no1)C(=O)[O-]	ZINC000630186594	369996317	/nfs/dbraw/zinc/99/63/17/369996317.db2.gz	WAAHYQMOKCAVOY-MRVPVSSYSA-N	-1	0	254.242	0.369	20	30		CCEDRM
C=C(C)C[C@H](NC(=O)c1ccnc2c1nnn2C)C(=O)[O-]	ZINC000630321119	370046879	/nfs/dbraw/zinc/04/68/79/370046879.db2.gz	FSSHCRDJABTYAC-VIFPVBQESA-N	-1	0	289.295	0.513	20	30		CCEDRM
C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)C1(C(=O)[O-])CCOCC1	ZINC000630302640	370037834	/nfs/dbraw/zinc/03/78/34/370037834.db2.gz	GLGFTLBUMGIBRT-NEPJUHHUSA-N	-1	0	297.351	0.965	20	30		CCEDRM
C=C(C)C[C@H](NS(=O)(=O)C[C@@H]1CCOC1)C(=O)[O-]	ZINC000630437724	370115687	/nfs/dbraw/zinc/11/56/87/370115687.db2.gz	HNWOKVJJAYMEJR-ZJUUUORDSA-N	-1	0	277.342	0.362	20	30		CCEDRM
C=C(C)C[C@H](NS(=O)(=O)C[C@@H]1CCCO1)C(=O)[O-]	ZINC000630438592	370117148	/nfs/dbraw/zinc/11/71/48/370117148.db2.gz	SITFDIXXQJSIHG-UWVGGRQHSA-N	-1	0	277.342	0.504	20	30		CCEDRM
C=C(C)C[C@@H](NS(=O)(=O)c1cccnc1)C(=O)[O-]	ZINC000630438666	370117484	/nfs/dbraw/zinc/11/74/84/370117484.db2.gz	VXPIJZZFDLNWKL-SNVBAGLBSA-N	-1	0	270.310	0.779	20	30		CCEDRM
C=C(C)C[C@H](NS(=O)(=O)CC[C@@H]1CCOC1)C(=O)[O-]	ZINC000630438606	370117547	/nfs/dbraw/zinc/11/75/47/370117547.db2.gz	SVZFNKHQCTVUNB-QWRGUYRKSA-N	-1	0	291.369	0.752	20	30		CCEDRM
C=CCOCCNC(=O)N[C@H](CC(=C)C)C(=O)[O-]	ZINC000630479361	370130222	/nfs/dbraw/zinc/13/02/22/370130222.db2.gz	DTOQRLBWTXWNLP-SNVBAGLBSA-N	-1	0	256.302	0.908	20	30		CCEDRM
C=CCCn1cc(CN2C[C@@H](OC)C[C@]2(C)C(=O)[O-])nn1	ZINC000634695196	372141353	/nfs/dbraw/zinc/14/13/53/372141353.db2.gz	QJAWWEQMGPBPPE-GXTWGEPZSA-N	-1	0	294.355	0.918	20	30		CCEDRM
C=C(C)CS(=O)(=O)N1C[C@@H](C)[C@](C)(C(=O)[O-])C1	ZINC000634653885	372126744	/nfs/dbraw/zinc/12/67/44/372126744.db2.gz	NLGCULAEUNDFGA-MWLCHTKSSA-N	-1	0	261.343	0.935	20	30		CCEDRM
C=C[C@@H]1OCC[C@H]1NC(=O)NCCCCC(=O)[O-]	ZINC000635516604	372578057	/nfs/dbraw/zinc/57/80/57/372578057.db2.gz	IYVVVSJLOBKRJB-ZJUUUORDSA-N	-1	0	256.302	0.884	20	30		CCEDRM
C=C[C@@H]1OCC[C@H]1C(=O)N1CCC[C@@H](c2n[n-]c(=N)o2)C1	ZINC000636197579	373442628	/nfs/dbraw/zinc/44/26/28/373442628.db2.gz	HXXFNRGPIJGMOW-MXWKQRLJSA-N	-1	0	292.339	0.779	20	30		CCEDRM
C=CCOCCCNC(=O)[C@@H]1CC[C@@H](C(=O)[O-])O1	ZINC000656486338	412812680	/nfs/dbraw/zinc/81/26/80/412812680.db2.gz	NDBNPJRRQZXODI-UWVGGRQHSA-N	-1	0	257.286	0.328	20	30		CCEDRM
C[C@@H](Oc1ccccc1C#N)C(=O)N[C@@H](C)C(=O)[O-]	ZINC000037434452	296209811	/nfs/dbraw/zinc/20/98/11/296209811.db2.gz	PZIGDGNVGOTRII-DTWKUNHWSA-N	-1	0	262.265	0.915	20	30		CCEDRM
C=CCCS(=O)(=O)[N-]c1n[nH]cc1C(=O)N(C)C	ZINC000641694557	377404169	/nfs/dbraw/zinc/40/41/69/377404169.db2.gz	IOIJJBZDYJQBCT-UHFFFAOYSA-N	-1	0	272.330	0.429	20	30		CCEDRM
N#Cc1nc(NC(=O)c2ccc[nH]c2=O)[n-]c1C#N	ZINC000026269004	388821743	/nfs/dbraw/zinc/82/17/43/388821743.db2.gz	YCWOHPCBUYSNHO-UHFFFAOYSA-N	-1	0	254.209	0.094	20	30		CCEDRM
CN(CCCC(=O)[O-])S(=O)(=O)c1ccc(C#N)o1	ZINC000287667458	388854799	/nfs/dbraw/zinc/85/47/99/388854799.db2.gz	VVLVUFCGWMKIBV-UHFFFAOYSA-N	-1	0	272.282	0.637	20	30		CCEDRM
C#CCO[N-]C(=O)[C@H](CCSC)NC(=O)CC	ZINC000291132916	388917556	/nfs/dbraw/zinc/91/75/56/388917556.db2.gz	WOEIBZHQEPLKDZ-VIFPVBQESA-N	-1	0	258.343	0.315	20	30		CCEDRM
C#CCO[N-]C(=O)C1=NO[C@@H](CNC(=O)OC(C)(C)C)C1	ZINC000291300853	388919895	/nfs/dbraw/zinc/91/98/95/388919895.db2.gz	QOEHLXLBBAQBGJ-SECBINFHSA-N	-1	0	297.311	0.337	20	30		CCEDRM
Cc1ccn2c(c1)n[n-]/c2=N\C(=O)c1cc(C#N)cn1C	ZINC000088253434	389013204	/nfs/dbraw/zinc/01/32/04/389013204.db2.gz	YNBPKKDVVJPRNO-UHFFFAOYSA-N	-1	0	280.291	0.922	20	30		CCEDRM
C=CCOCCN1[N-]S(=O)(=O)c2ccccc2C1=O	ZINC000338528298	389113027	/nfs/dbraw/zinc/11/30/27/389113027.db2.gz	ODBYLQKYKGDWBO-UHFFFAOYSA-N	-1	0	282.321	0.538	20	30		CCEDRM
C=CCOCCSc1n[n-]c2nc(=O)c(C)nn21	ZINC000338551463	389113364	/nfs/dbraw/zinc/11/33/64/389113364.db2.gz	JEGFDQMSBWDBAG-UHFFFAOYSA-N	-1	0	267.314	0.416	20	30		CCEDRM
CS(=O)(=O)c1nc(NC(=O)C2(C#N)CCCCC2)n[n-]1	ZINC000113421860	389129239	/nfs/dbraw/zinc/12/92/39/389129239.db2.gz	PIZVDRIYIWTBDI-UHFFFAOYSA-N	-1	0	297.340	0.621	20	30		CCEDRM
C=C(C)[C@@H](CC(=O)NCCCc1n[nH]c(=O)[n-]1)OCC	ZINC000339690740	389137741	/nfs/dbraw/zinc/13/77/41/389137741.db2.gz	ACYGDJMBOKNWBA-SNVBAGLBSA-N	-1	0	282.344	0.930	20	30		CCEDRM
CC(C)n1cc(C#N)c(=NC(=O)c2cc3n(n2)CCO3)[n-]1	ZINC000329772917	389198656	/nfs/dbraw/zinc/19/86/56/389198656.db2.gz	LATPMEMWFNSQKB-UHFFFAOYSA-N	-1	0	286.295	0.599	20	30		CCEDRM
C=C[C@@](C)(CCOC)C(=O)N1CCO[C@@H](c2nnn[n-]2)C1	ZINC000363686201	389252148	/nfs/dbraw/zinc/25/21/48/389252148.db2.gz	JWNVBQPPFCDFRB-MFKMUULPSA-N	-1	0	295.343	0.328	20	30		CCEDRM
C=CCn1c(SCc2nnnn2C(C)(C)C)n[n-]c1=N	ZINC000361572696	389219779	/nfs/dbraw/zinc/21/97/79/389219779.db2.gz	FSPFNDGMHQAUNZ-UHFFFAOYSA-N	-1	0	294.388	0.910	20	30		CCEDRM
N#C[C@@H]1CN(C(=O)c2cccc([N+](=O)[O-])c2[O-])CCO1	ZINC000133390309	389234019	/nfs/dbraw/zinc/23/40/19/389234019.db2.gz	JUUJDYRLQWRRLS-MRVPVSSYSA-N	-1	0	277.236	0.665	20	30		CCEDRM
Cn1cccc(N=C([O-])N2CCC[C@@H](OCCO)C2)c1=O	ZINC000331214086	389300616	/nfs/dbraw/zinc/30/06/16/389300616.db2.gz	MODBZFOQNPABPL-LLVKDONJSA-N	-1	0	295.339	0.404	20	30		CCEDRM
C=CCS(=O)(=O)[N-]C(=O)[C@H]1CCC(=O)[C@H](C)C1	ZINC000408444453	389351587	/nfs/dbraw/zinc/35/15/87/389351587.db2.gz	UBAUJNLVRMYZSY-BDAKNGLRSA-N	-1	0	259.327	0.624	20	30		CCEDRM
C=CC[C@@H](CO)CN=c1[n-]c(C2CCOCC2)no1	ZINC000413219539	389483689	/nfs/dbraw/zinc/48/36/89/389483689.db2.gz	DLFRLMMRAGKYTQ-SNVBAGLBSA-N	-1	0	267.329	0.982	20	30		CCEDRM
C=C[C@@H](CO)NC(=O)N=c1[n-]nc(SCC)s1	ZINC000349908542	389457524	/nfs/dbraw/zinc/45/75/24/389457524.db2.gz	VIFZRRDBOAQDDL-LURJTMIESA-N	-1	0	274.371	0.740	20	30		CCEDRM
C=CCCS(=O)(=O)N[C@@H]1CN(c2ccccc2)C1=O	ZINC000375155563	389644308	/nfs/dbraw/zinc/64/43/08/389644308.db2.gz	YWVVYABGCUHEJN-GFCCVEGCSA-N	-1	0	280.349	0.897	20	30		CCEDRM
N#Cc1cccc(NCC(=O)NCCc2nc(=O)o[n-]2)c1	ZINC000447635405	389960460	/nfs/dbraw/zinc/96/04/60/389960460.db2.gz	CCCLTSICDPBDCW-UHFFFAOYSA-N	-1	0	287.279	0.005	20	30		CCEDRM
N#Cc1cccc(C#N)c1NCCc1nc(=N)[n-]o1	ZINC000436398907	389975613	/nfs/dbraw/zinc/97/56/13/389975613.db2.gz	BJZBBIAWUIISNA-UHFFFAOYSA-N	-1	0	254.253	0.880	20	30		CCEDRM
C=CCCn1cc(C(=O)Nc2cnn(CC(=O)[O-])c2)nn1	ZINC000647743797	390157111	/nfs/dbraw/zinc/15/71/11/390157111.db2.gz	AOQCKJVDKVEVIT-UHFFFAOYSA-N	-1	0	290.283	0.388	20	30		CCEDRM
N#CC1CCC(CNC(=O)C(=O)NCCCC(=O)[O-])CC1	ZINC000579474518	390177761	/nfs/dbraw/zinc/17/77/61/390177761.db2.gz	BSPGEIQIRPVIGY-UHFFFAOYSA-N	-1	0	295.339	0.414	20	30		CCEDRM
CC#CC[C@H](NS(=O)(=O)c1cc(C)cnc1N)C(=O)[O-]	ZINC000541001205	390234515	/nfs/dbraw/zinc/23/45/15/390234515.db2.gz	WBNCKKAYMXEWEZ-VIFPVBQESA-N	-1	0	297.336	0.117	20	30		CCEDRM
C=CCOC[C@H](NC(=O)NCc1cc(C)on1)C(=O)[O-]	ZINC000565282389	390501994	/nfs/dbraw/zinc/50/19/94/390501994.db2.gz	OZEPFNLIEFLGLZ-JTQLQIEISA-N	-1	0	283.284	0.438	20	30		CCEDRM
C=C(CC)CNC(=O)C(=O)N1CC[C@H](C)[C@@H](C(=O)[O-])C1	ZINC000516468027	390482594	/nfs/dbraw/zinc/48/25/94/390482594.db2.gz	NPEQZWDRHWXFIR-QWRGUYRKSA-N	-1	0	282.340	0.638	20	30		CCEDRM
CCN(C[C@H](C)C#N)S(=O)(=O)N[C@H](C)[C@@H](C)C(=O)[O-]	ZINC000520589708	390583933	/nfs/dbraw/zinc/58/39/33/390583933.db2.gz	DXRJNNYCUPXRPB-OPRDCNLKSA-N	-1	0	291.373	0.412	20	30		CCEDRM
C=CCn1cc(C(=O)N(CCC(=O)[O-])CC2CC2)nn1	ZINC000649243831	390534305	/nfs/dbraw/zinc/53/43/05/390534305.db2.gz	AMWVEWRTVGPNRK-UHFFFAOYSA-N	-1	0	278.312	0.791	20	30		CCEDRM
C=CCn1cc(C(=O)N(CC)CCC(=O)[O-])nn1	ZINC000649244316	390535548	/nfs/dbraw/zinc/53/55/48/390535548.db2.gz	ZTNMOHYIEJUJRV-UHFFFAOYSA-N	-1	0	252.274	0.401	20	30		CCEDRM
C=CCn1cc(C(=O)N2C[C@@H](OC)C[C@H]2CC(=O)[O-])nn1	ZINC000649250910	390538207	/nfs/dbraw/zinc/53/82/07/390538207.db2.gz	BYLMRSUKFYADPU-UWVGGRQHSA-N	-1	0	294.311	0.168	20	30		CCEDRM
C=CCOC[C@H](NC(=O)C[C@@H](C)n1ccnc1)C(=O)[O-]	ZINC000566345920	390596716	/nfs/dbraw/zinc/59/67/16/390596716.db2.gz	ZIWUNTVCEGJJAI-MNOVXSKESA-N	-1	0	281.312	0.606	20	30		CCEDRM
C=CCC[C@@H](NS(=O)(=O)CC[C@H]1CCOC1)C(=O)[O-]	ZINC000569683062	390716324	/nfs/dbraw/zinc/71/63/24/390716324.db2.gz	MKAAUHLKNKFPPQ-GHMZBOCLSA-N	-1	0	291.369	0.752	20	30		CCEDRM
C=C[C@](C)(CCOC)C(=O)NCCc1c(C)[nH][nH]c1=O	ZINC000526115403	390676938	/nfs/dbraw/zinc/67/69/38/390676938.db2.gz	FPNTUWAFRUQSQG-BXUZGUMPSA-N	-1	0	281.356	0.843	20	30		CCEDRM
C=CCOC[C@H](NC(=O)[C@H]1COc2ccccc21)C(=O)[O-]	ZINC000574900803	390823049	/nfs/dbraw/zinc/82/30/49/390823049.db2.gz	OIBZOVMXIQYGTK-RYUDHWBXSA-N	-1	0	291.303	0.935	20	30		CCEDRM
COC(=O)Cc1nc(NC(=O)C2(C#N)CC(C)C2)n[nH]1	ZINC000532323735	390879530	/nfs/dbraw/zinc/87/95/30/390879530.db2.gz	IRPXSGZLIAZPBM-UHFFFAOYSA-N	-1	0	277.284	0.399	20	30		CCEDRM
C=CCNS(=O)(=O)c1ccc2c(c1)C[C@@H](C(=O)[O-])O2	ZINC000578354301	390879827	/nfs/dbraw/zinc/87/98/27/390879827.db2.gz	WOTOFSQXBBTODW-NSHDSACASA-N	-1	0	283.305	0.539	20	30		CCEDRM
C=CCN(C)C(=O)C(=O)N[C@@H]1CC[C@H](C(=O)[O-])C1	ZINC000647592209	390844740	/nfs/dbraw/zinc/84/47/40/390844740.db2.gz	XTVZXTOLXXNJOX-DTWKUNHWSA-N	-1	0	254.286	0.000	20	30		CCEDRM
C[C@H](C(=O)[O-])N(C)S(=O)(=O)c1ccc(C#N)o1	ZINC000262292309	131208782	/nfs/dbraw/zinc/20/87/82/131208782.db2.gz	HQCZYODDRYWPKS-ZCFIWIBFSA-N	-1	0	258.255	0.245	20	30		CCEDRM
C=CCCO[C@@H](C)C(=O)N1CCO[C@H](CC(=O)[O-])C1	ZINC000262804213	131263280	/nfs/dbraw/zinc/26/32/80/131263280.db2.gz	PNGRQCQVUVGBMC-WDEREUQCSA-N	-1	0	271.313	0.670	20	30		CCEDRM
C=CCCO[C@@H](C)C(=O)NCC1(C(=O)[O-])CCOCC1	ZINC000262825225	131265063	/nfs/dbraw/zinc/26/50/63/131265063.db2.gz	QKDWNZIQEBBZGC-NSHDSACASA-N	-1	0	285.340	0.965	20	30		CCEDRM
COc1cc(C(=O)N=c2[nH][n-]c(C)c2C#N)nn1C	ZINC000357246695	144073555	/nfs/dbraw/zinc/07/35/55/144073555.db2.gz	SPLYAAVPDZORHM-UHFFFAOYSA-N	-1	0	260.257	0.006	20	30		CCEDRM
CC(C)n1cc(C#N)c(=NC(=O)C(=O)NCC2CC2)[n-]1	ZINC000359019597	144190740	/nfs/dbraw/zinc/19/07/40/144190740.db2.gz	FLLCIDRAEZEVDC-UHFFFAOYSA-N	-1	0	275.312	0.222	20	30		CCEDRM
C=CCC[C@H](NC(=O)c1nn(C)cc1C)C(=O)[O-]	ZINC000659152707	413316257	/nfs/dbraw/zinc/31/62/57/413316257.db2.gz	CDXGNNJVXNGSBO-VIFPVBQESA-N	-1	0	251.286	0.878	20	30		CCEDRM
C=CCCn1cc(C(=O)N[C@](C)(CCF)C(=O)[O-])nn1	ZINC000659215752	413342436	/nfs/dbraw/zinc/34/24/36/413342436.db2.gz	VMOOMMFBEBWPOR-GFCCVEGCSA-N	-1	0	284.291	0.787	20	30		CCEDRM
C=CCOCCNC(=O)N1CCCC[C@H]1C(=O)[O-]	ZINC000310845658	411747020	/nfs/dbraw/zinc/74/70/20/411747020.db2.gz	PDBXTEQJBMSFGF-JTQLQIEISA-N	-1	0	256.302	0.838	20	30		CCEDRM
C#CCNS(=O)(=O)c1cc(C(=O)[O-])cc(C)c1C	ZINC000019231161	170756775	/nfs/dbraw/zinc/75/67/75/170756775.db2.gz	ZBBJSHDZKCVRPE-UHFFFAOYSA-N	-1	0	267.306	0.913	20	30		CCEDRM
C=CCOC[C@H](NC(=O)c1cc(CCC)n[nH]1)C(=O)[O-]	ZINC000653658089	412330761	/nfs/dbraw/zinc/33/07/61/412330761.db2.gz	VQLKTXORQOJOFK-NSHDSACASA-N	-1	0	281.312	0.748	20	30		CCEDRM
C=CCOCCCNC(=O)N1CC[C@@H](C(=O)[O-])C1	ZINC000659413283	413483701	/nfs/dbraw/zinc/48/37/01/413483701.db2.gz	NOSSZCXBANIFKS-SNVBAGLBSA-N	-1	0	256.302	0.695	20	30		CCEDRM
C=CC[C@H](CO)NC(=O)NCC1(C(=O)[O-])CCC1	ZINC000659421418	413485497	/nfs/dbraw/zinc/48/54/97/413485497.db2.gz	QZUWOJGZRKXCQX-SECBINFHSA-N	-1	0	256.302	0.478	20	30		CCEDRM
C=CC[C@@H]1CCCC[C@H]1NC(=O)C(=O)NCCC(=O)[O-]	ZINC000659659112	413756798	/nfs/dbraw/zinc/75/67/98/413756798.db2.gz	QJYFTESCDRFSPK-GHMZBOCLSA-N	-1	0	282.340	0.828	20	30		CCEDRM
C=CC[C@@H]1CCCN(C(=O)C(=O)NC[C@@H](C)C(=O)[O-])C1	ZINC000659661970	413760746	/nfs/dbraw/zinc/76/07/46/413760746.db2.gz	NSFNFIZEFHPGPU-GHMZBOCLSA-N	-1	0	282.340	0.638	20	30		CCEDRM
C[C@@H](NS(=O)(=O)c1cc(Cl)ccc1C#N)C(=O)[O-]	ZINC000037418978	173196307	/nfs/dbraw/zinc/19/63/07/173196307.db2.gz	NUDBDGLCYKQKIS-ZCFIWIBFSA-N	-1	0	288.712	0.963	20	30		CCEDRM
CCN(CCC#N)S(=O)(=O)c1n[nH]cc1C(=O)[O-]	ZINC000037838872	173795925	/nfs/dbraw/zinc/79/59/25/173795925.db2.gz	AHOYAQKHVUYGSG-UHFFFAOYSA-N	-1	0	272.286	0.032	20	30		CCEDRM
C=C(C)CS(=O)(=O)N1C[C@@H]2C[C@@]1(C(=O)[O-])[C@@H]2C	ZINC000663293037	415040702	/nfs/dbraw/zinc/04/07/02/415040702.db2.gz	VANOQUMGGRXGKY-YWVKMMECSA-N	-1	0	259.327	0.687	20	30		CCEDRM
C=CCNC(=O)NC(=O)CN1CCC[C@@H](C)[C@H]1C(=O)[O-]	ZINC000300294936	261190395	/nfs/dbraw/zinc/19/03/95/261190395.db2.gz	MATYUBKRPLQLQE-KOLCDFICSA-N	-1	0	283.328	0.183	20	30		CCEDRM
NC(=O)[C@H]1CC[C@@H](C/N=C/c2cc([N+](=O)[O-])ccc2[O-])O1	ZINC000159838711	261195554	/nfs/dbraw/zinc/19/55/54/261195554.db2.gz	PASGJSFKHHUFQA-HPUGKHBGSA-N	-1	0	293.279	0.752	20	30		CCEDRM
N#C[C@H]1COCCN1C(=O)c1cc([N+](=O)[O-])ccc1[O-]	ZINC000272456848	263004745	/nfs/dbraw/zinc/00/47/45/263004745.db2.gz	XAVSJVBQGFNGKX-VIFPVBQESA-N	-1	0	277.236	0.665	20	30		CCEDRM
C=CCC(C)(C)CNC(=O)c1cnc([O-])n(C)c1=O	ZINC000293761313	263149291	/nfs/dbraw/zinc/14/92/91/263149291.db2.gz	LSULWKVDVQZHKE-UHFFFAOYSA-N	-1	0	265.313	0.818	20	30		CCEDRM
N#CCC(=O)N1CCN(C(=O)c2cc(F)ccc2O)CC1	ZINC000294615140	263164752	/nfs/dbraw/zinc/16/47/52/263164752.db2.gz	QGTLPKRNDFFKIB-UHFFFAOYSA-N	-1	0	291.282	0.729	20	30		CCEDRM
CC[C@@H](C)[C@H](NS(=O)(=O)N(C)CCC#N)C(=O)[O-]	ZINC000340546170	263194880	/nfs/dbraw/zinc/19/48/80/263194880.db2.gz	YRTBGIKFSOHDAI-BDAKNGLRSA-N	-1	0	277.346	0.166	20	30		CCEDRM
Cn1cnnc1CNC(=O)N=c1nc(C(C)(C)C)[n-]s1	ZINC000330819537	264047115	/nfs/dbraw/zinc/04/71/15/264047115.db2.gz	PWGKTMWWVPGEIG-UHFFFAOYSA-N	-1	0	295.372	0.912	20	30		CCEDRM
C[C@H](O)C[C@H](C)NC(=O)c1cccn2c([O-])nnc12	ZINC000330838157	264051732	/nfs/dbraw/zinc/05/17/32/264051732.db2.gz	WXTAINFKPRGLOY-YUMQZZPRSA-N	-1	0	264.285	0.899	20	30		CCEDRM
COCCN(C)C([O-])=Nc1c(C)ccn(C)c1=O	ZINC000330964226	264090010	/nfs/dbraw/zinc/09/00/10/264090010.db2.gz	CAUJUFIBTALXKX-UHFFFAOYSA-N	-1	0	253.302	0.817	20	30		CCEDRM
C[C@@H](/N=C(/[O-])c1cnc([O-])n(C)c1=O)C(C)(C)C[NH+](C)C	ZINC000331271218	264168646	/nfs/dbraw/zinc/16/86/46/264168646.db2.gz	BGYKOWALUKRBCQ-SECBINFHSA-N	-1	0	296.371	0.767	20	30		CCEDRM
CC[C@@H](C)N(CC(=O)[O-])S(=O)(=O)N(CC)CCC#N	ZINC000417421390	264236197	/nfs/dbraw/zinc/23/61/97/264236197.db2.gz	MELUBCISNGAKAR-SNVBAGLBSA-N	-1	0	291.373	0.652	20	30		CCEDRM
C[C@@H](C#N)CN(C)S(=O)(=O)N1CCCC[C@H]1C(=O)[O-]	ZINC000251132043	264270618	/nfs/dbraw/zinc/27/06/18/264270618.db2.gz	ULEREDQXMKQONX-UWVGGRQHSA-N	-1	0	289.357	0.262	20	30		CCEDRM
C#CC[C@@H](NS(=O)(=O)N1CCCC[C@H]1C)C(=O)[O-]	ZINC000251616599	264288771	/nfs/dbraw/zinc/28/87/71/264288771.db2.gz	CIOYUQUSMBXNKJ-NXEZZACHSA-N	-1	0	274.342	0.172	20	30		CCEDRM
C[C@H](C#N)CNC(=O)c1c[nH]c2nc(=O)[n-]c(=O)c-2c1	ZINC000518947406	265240279	/nfs/dbraw/zinc/24/02/79/265240279.db2.gz	DYYBULQYFXNEGB-ZCFIWIBFSA-N	-1	0	273.252	0.325	20	30		CCEDRM
C=CCC[C@@H](NS(=O)(=O)C[C@@H](C)COCC)C(=O)[O-]	ZINC000518973471	265266421	/nfs/dbraw/zinc/26/64/21/265266421.db2.gz	XVBUHTQWTCJMHB-WDEREUQCSA-N	-1	0	293.385	0.998	20	30		CCEDRM
C[C@H](CN(C)C(=O)c1c[nH]c(C#N)c1)c1nnn[n-]1	ZINC000358400698	278176866	/nfs/dbraw/zinc/17/68/66/278176866.db2.gz	ZNUDNTAPZLHZTO-SSDOTTSWSA-N	-1	0	259.273	0.275	20	30		CCEDRM
C=CCOCCNS(=O)(=O)c1scnc1C(=O)[O-]	ZINC000394125479	545087921	/nfs/dbraw/zinc/08/79/21/545087921.db2.gz	QAKVKTHCMYKFDI-UHFFFAOYSA-N	-1	0	292.338	0.322	20	30		CCEDRM
O=C(N=c1cn[n-]s1)N1C[C@@H]2CC[C@H](O)[C@@H]2C1	ZINC000330252239	304819989	/nfs/dbraw/zinc/81/99/89/304819989.db2.gz	IFWKJNJKTVPSAX-RNJXMRFFSA-N	-1	0	254.315	0.786	20	30		CCEDRM
N#CCCCS(=O)(=O)NC1(C(=O)[O-])CCCC1	ZINC000534784335	328363302	/nfs/dbraw/zinc/36/33/02/328363302.db2.gz	FRAGPYUDQKXTEA-UHFFFAOYSA-N	-1	0	260.315	0.607	20	30		CCEDRM
C=CCC[C@@H](NS(=O)(=O)c1ccco1)C(=O)[O-]	ZINC000558735641	327117869	/nfs/dbraw/zinc/11/78/69/327117869.db2.gz	AHIAHDBKMVSOMG-MRVPVSSYSA-N	-1	0	259.283	0.977	20	30		CCEDRM
C=CCC[C@@H](NS(=O)(=O)C[C@H]1CCCCO1)C(=O)[O-]	ZINC000574133321	327291809	/nfs/dbraw/zinc/29/18/09/327291809.db2.gz	AHKBEXVIAASFOR-GHMZBOCLSA-N	-1	0	291.369	0.894	20	30		CCEDRM
C=C(C)[C@@H]1OCC[C@H]1CNC(=O)N[C@H](CF)C(=O)[O-]	ZINC000583425665	327356838	/nfs/dbraw/zinc/35/68/38/327356838.db2.gz	ZLQHRQSFGKAXIB-AEJSXWLSSA-N	-1	0	274.292	0.690	20	30		CCEDRM
C=CCOC[C@@H](NC(=O)NC[C@@H](OC)C(C)C)C(=O)[O-]	ZINC000570629228	327606763	/nfs/dbraw/zinc/60/67/63/327606763.db2.gz	KPKDGLRSNPQTSR-GHMZBOCLSA-N	-1	0	288.344	0.612	20	30		CCEDRM
C[C@H]1CN(S(=O)(=O)CC2(C#N)CC2)CC[C@H]1C(=O)[O-]	ZINC000526944188	328815708	/nfs/dbraw/zinc/81/57/08/328815708.db2.gz	BHMZNGDEULOFEU-VHSXEESVSA-N	-1	0	286.353	0.663	20	30		CCEDRM
C=C[C@@H](CCC(=O)[O-])NS(=O)(=O)c1cnn(C)c1C	ZINC000514657151	328848501	/nfs/dbraw/zinc/84/85/01/328848501.db2.gz	ABIRRNYJEGBIGD-VIFPVBQESA-N	-1	0	287.341	0.426	20	30		CCEDRM
C=C[C@@H]1OCCC[C@H]1NC(=O)N=c1[n-]ncs1	ZINC000582469267	329091597	/nfs/dbraw/zinc/09/15/97/329091597.db2.gz	PXWWFJLNCQSHPK-SFYZADRCSA-N	-1	0	254.315	0.815	20	30		CCEDRM
C=CCN(C1CC1)S(=O)(=O)N1CCC[C@H]1C(=O)[O-]	ZINC000582544219	329104735	/nfs/dbraw/zinc/10/47/35/329104735.db2.gz	ZMBWMAKMUZYUQL-JTQLQIEISA-N	-1	0	274.342	0.431	20	30		CCEDRM
C=CC[C@H](CO)NC(=O)c1ccc(NS(C)(=O)=O)cc1	ZINC000321259678	329335266	/nfs/dbraw/zinc/33/52/66/329335266.db2.gz	SMSMVRGSAHYXPK-GFCCVEGCSA-N	-1	0	298.364	0.725	20	30		CCEDRM
N#CC1(CS(=O)(=O)N2CCC[C@@H](C(=O)[O-])C2)CC1	ZINC000262375522	330011549	/nfs/dbraw/zinc/01/15/49/330011549.db2.gz	GBVWNXPLMAHKER-SECBINFHSA-N	-1	0	272.326	0.417	20	30		CCEDRM
C=CCOC[C@H](NC(=O)[C@H]1C[C@@H]1C1CC1)C(=O)[O-]	ZINC000262994377	330038234	/nfs/dbraw/zinc/03/82/34/330038234.db2.gz	LRZVOLQOOWHBET-VWYCJHECSA-N	-1	0	253.298	0.805	20	30		CCEDRM
C=CCOC[C@H](NC(=O)CO[C@H](C)CC)C(=O)[O-]	ZINC000263011123	330038699	/nfs/dbraw/zinc/03/86/99/330038699.db2.gz	NCFBVGKCNAPBJR-ZJUUUORDSA-N	-1	0	259.302	0.574	20	30		CCEDRM
C[C@H]1CC[C@@H](C(=O)[O-])CN1S(=O)(=O)CCCC#N	ZINC000263159229	330046538	/nfs/dbraw/zinc/04/65/38/330046538.db2.gz	QJIISKMRHHAKBC-VHSXEESVSA-N	-1	0	274.342	0.805	20	30		CCEDRM
C#C[C@@H](NC(=O)N1CCC(C(=O)[O-])CC1)[C@@H]1CCCO1	ZINC000263347071	330052615	/nfs/dbraw/zinc/05/26/15/330052615.db2.gz	GWGKYEBKJBQKCH-NEPJUHHUSA-N	-1	0	280.324	0.673	20	30		CCEDRM
C=CC1CCN(C(=O)Cn2cc(C(=O)[O-])nn2)CC1	ZINC000263374051	330053139	/nfs/dbraw/zinc/05/31/39/330053139.db2.gz	ZPYBEFKWXDTESA-UHFFFAOYSA-N	-1	0	264.285	0.401	20	30		CCEDRM
C#C[C@H](NC(=O)N(C)C[C@@H](C)C(=O)[O-])[C@@H]1CCCO1	ZINC000263376093	330053264	/nfs/dbraw/zinc/05/32/64/330053264.db2.gz	OGZZRALZFBPSBS-VWYCJHECSA-N	-1	0	268.313	0.529	20	30		CCEDRM
CC(C)[C@H](NS(=O)(=O)N(C)C[C@H](C)C#N)C(=O)[O-]	ZINC000263537460	330059173	/nfs/dbraw/zinc/05/91/73/330059173.db2.gz	AHRSYNIEBQDZCE-BDAKNGLRSA-N	-1	0	277.346	0.021	20	30		CCEDRM
CC[C@@H](C(=O)[O-])N(C)S(=O)(=O)N(C)[C@H](C)CC#N	ZINC000574992705	330125017	/nfs/dbraw/zinc/12/50/17/330125017.db2.gz	VMNPZOHTLPIZDL-BDAKNGLRSA-N	-1	0	277.346	0.260	20	30		CCEDRM
C=CCCN(C)C(=O)C(=O)N1CC[C@@](C)(C(=O)[O-])C1	ZINC000422873228	330158655	/nfs/dbraw/zinc/15/86/55/330158655.db2.gz	KORCOOFZYREWTA-CYBMUJFWSA-N	-1	0	268.313	0.344	20	30		CCEDRM
C=CCn1cc(CNC(=O)[C@@H]2CC[C@@H]2C(=O)[O-])nn1	ZINC000424542410	330372001	/nfs/dbraw/zinc/37/20/01/330372001.db2.gz	WHWHLTONEWPNBE-ZJUUUORDSA-N	-1	0	264.285	0.191	20	30		CCEDRM
N#CCC[C@@H](NC(=O)c1nc(=O)[nH][n-]1)c1ccccc1	ZINC000120996187	330394371	/nfs/dbraw/zinc/39/43/71/330394371.db2.gz	VXVMOZVIMQMKMY-SNVBAGLBSA-N	-1	0	271.280	0.873	20	30		CCEDRM
C[C@H](CC#N)NC(=O)C(=O)N=c1[n-]nc(C(C)(C)C)s1	ZINC000438872977	330730409	/nfs/dbraw/zinc/73/04/09/330730409.db2.gz	XINIXNLAQFVGFT-SSDOTTSWSA-N	-1	0	295.368	0.614	20	30		CCEDRM
C=CCNC(=O)NC(=O)[C@@H](C)Sc1n[nH]c(=O)[n-]1	ZINC000446082031	330844499	/nfs/dbraw/zinc/84/44/99/330844499.db2.gz	XCFZEYYSBKKPPF-RXMQYKEDSA-N	-1	0	271.302	0.003	20	30		CCEDRM
CC[C@@H](CC#N)NC(=O)N=c1nc2n([n-]1)CCCC2	ZINC000456003105	331182199	/nfs/dbraw/zinc/18/21/99/331182199.db2.gz	DLAVCLBNOMMGJZ-VIFPVBQESA-N	-1	0	262.317	0.850	20	30		CCEDRM
C=C[C@H](CCC(=O)[O-])NS(=O)(=O)N1CCC[C@H](C)C1	ZINC000516627606	332996005	/nfs/dbraw/zinc/99/60/05/332996005.db2.gz	NMZATWCODDEGLE-WDEREUQCSA-N	-1	0	290.385	0.972	20	30		CCEDRM
C=CCN=c1[n-]nc(SC[C@H]2CNC(=O)O2)s1	ZINC000490578294	332092877	/nfs/dbraw/zinc/09/28/77/332092877.db2.gz	CSLYPKLLZMSBJM-ZCFIWIBFSA-N	-1	0	272.355	0.758	20	30		CCEDRM
C#C[C@@H](CCC)NC(=O)N=c1[n-]n(C)cc1C(=O)OCC	ZINC000491142891	332155650	/nfs/dbraw/zinc/15/56/50/332155650.db2.gz	DLMNYHRJXRKHRC-JTQLQIEISA-N	-1	0	292.339	0.942	20	30		CCEDRM
N#CCCCS(=O)(=O)[N-]C(=O)/C=C\c1ccncc1	ZINC000492370571	332394683	/nfs/dbraw/zinc/39/46/83/332394683.db2.gz	XWSNYLXPNJKPDX-ARJAWSKDSA-N	-1	0	279.321	0.845	20	30		CCEDRM
C=CCCS(=O)(=O)N1C[C@@H](C(=O)[O-])[C@]2(CCOC2)C1	ZINC000516841694	333084043	/nfs/dbraw/zinc/08/40/43/333084043.db2.gz	LQXJFOQGWKPXNK-CMPLNLGQSA-N	-1	0	289.353	0.315	20	30		CCEDRM
CC#CC[C@H](NS(=O)(=O)CC(C)(C)OC)C(=O)[O-]	ZINC000517239467	333095728	/nfs/dbraw/zinc/09/57/28/333095728.db2.gz	QCFXXYWQOZUINP-VIFPVBQESA-N	-1	0	277.342	0.197	20	30		CCEDRM
C#CCN(CC#C)S(=O)(=O)c1ccc(C)c(C(=O)[O-])c1	ZINC000185040022	333134870	/nfs/dbraw/zinc/13/48/70/333134870.db2.gz	JZXZZJSQNJDJFJ-UHFFFAOYSA-N	-1	0	291.328	0.950	20	30		CCEDRM
C=CCC[C@H](NS(=O)(=O)N1CCC(C)CC1)C(=O)[O-]	ZINC000316334187	333388314	/nfs/dbraw/zinc/38/83/14/333388314.db2.gz	IBIUUEFHBWGCCD-NSHDSACASA-N	-1	0	290.385	0.972	20	30		CCEDRM
CC[C@](C)(CNS(=O)(=O)CCCC#N)C(=O)[O-]	ZINC000547888535	334129047	/nfs/dbraw/zinc/12/90/47/334129047.db2.gz	KTAGGFNOTBWQPH-SNVBAGLBSA-N	-1	0	262.331	0.710	20	30		CCEDRM
CC[C@H](C(=O)[O-])N(C)S(=O)(=O)CC1(C#N)CC1	ZINC000547909821	334129207	/nfs/dbraw/zinc/12/92/07/334129207.db2.gz	RFIGDXLTNICEPO-MRVPVSSYSA-N	-1	0	260.315	0.415	20	30		CCEDRM
CCN(C[C@H](C)C(=O)[O-])S(=O)(=O)CC1(C#N)CC1	ZINC000548242899	334146983	/nfs/dbraw/zinc/14/69/83/334146983.db2.gz	YKNNGMJQHVIHCE-VIFPVBQESA-N	-1	0	274.342	0.663	20	30		CCEDRM
N#CC1(CS(=O)(=O)N2C[C@@H]3CCC[C@]3(C(=O)[O-])C2)CC1	ZINC000548250843	334147202	/nfs/dbraw/zinc/14/72/02/334147202.db2.gz	WCLLLPGURIJUMI-GWCFXTLKSA-N	-1	0	298.364	0.807	20	30		CCEDRM
C[C@@H](CCNS(=O)(=O)CC1(C#N)CC1)CC(=O)[O-]	ZINC000548596072	334163246	/nfs/dbraw/zinc/16/32/46/334163246.db2.gz	CHQXIDPSIMKXGF-VIFPVBQESA-N	-1	0	274.342	0.710	20	30		CCEDRM
C=C[C@H](CCC(=O)[O-])NS(=O)(=O)N1CC[C@H](C)C1	ZINC000567218149	334694021	/nfs/dbraw/zinc/69/40/21/334694021.db2.gz	XCVXIPIUUJIACU-VHSXEESVSA-N	-1	0	276.358	0.582	20	30		CCEDRM
Cc1[n-][nH]c(=NC(=O)[C@H]2CCC(=O)c3cccn32)c1C#N	ZINC000576422691	335202091	/nfs/dbraw/zinc/20/20/91/335202091.db2.gz	JGHSNMOKQZYRRJ-LLVKDONJSA-N	-1	0	283.291	0.970	20	30		CCEDRM
CO[C@H](CS(=O)(=O)[N-]c1ccn(CCC#N)n1)C1CC1	ZINC000576823397	335252108	/nfs/dbraw/zinc/25/21/08/335252108.db2.gz	QTLQCGYYDCRKQP-LLVKDONJSA-N	-1	0	298.368	0.963	20	30		CCEDRM
C=CCOC[C@H](NC(=O)NC[C@H](C)SC)C(=O)[O-]	ZINC000577342582	335340739	/nfs/dbraw/zinc/34/07/39/335340739.db2.gz	UFMCOLLOJHPZGC-IUCAKERBSA-N	-1	0	276.358	0.693	20	30		CCEDRM
Cc1ncc(S(=O)(=O)N2CC[C@H]2C(=O)[O-])cc1C#N	ZINC000384630199	336128180	/nfs/dbraw/zinc/12/81/80/336128180.db2.gz	OUMFEFDYNHREBL-JTQLQIEISA-N	-1	0	281.293	0.109	20	30		CCEDRM
N#Cc1cccc(NCC(=O)NCCCC(=O)[O-])c1	ZINC000428087539	534808260	/nfs/dbraw/zinc/80/82/60/534808260.db2.gz	AHPKJKZZYWUNLD-UHFFFAOYSA-N	-1	0	261.281	0.951	20	30		CCEDRM
C=C[C@@H](CO)NC(=O)N=c1nc(CCC)[n-]s1	ZINC000350901980	527430448	/nfs/dbraw/zinc/43/04/48/527430448.db2.gz	QASANWCLGZABKO-ZETCQYMHSA-N	-1	0	256.331	0.581	20	30		CCEDRM
C=CC[C@H](NS(=O)(=O)c1cnc2n1CCC2)C(=O)[O-]	ZINC000681557427	545455960	/nfs/dbraw/zinc/45/59/60/545455960.db2.gz	ACDMWMDQZUMFIJ-QMMMGPOBSA-N	-1	0	285.325	0.137	20	30		CCEDRM
C=CCC[C@H](NS(=O)(=O)CC[C@H]1CCCO1)C(=O)[O-]	ZINC000681578132	545456717	/nfs/dbraw/zinc/45/67/17/545456717.db2.gz	OUKQRDBFVYRTKX-MNOVXSKESA-N	-1	0	291.369	0.894	20	30		CCEDRM
C=C[C@H]1CCCCN1C(=O)c1n[nH]c(=O)[n-]c1=O	ZINC000683884004	545576454	/nfs/dbraw/zinc/57/64/54/545576454.db2.gz	UEUGSVFWIAIKLD-ZETCQYMHSA-N	-1	0	250.258	0.464	20	30		CCEDRM
CCN(C[C@H](C)C#N)C(=O)[C@@H]1C[C@@H](O)CN1C(=O)[O-]	ZINC000739405645	581132137	/nfs/dbraw/zinc/13/21/37/581132137.db2.gz	ZLVAXABKSGZPOB-BBBLOLIVSA-N	-1	0	269.301	0.108	20	30		CCEDRM
Cc1cccc(S(=O)(=O)NC/C=C/C(=O)[O-])c1C#N	ZINC000788448236	581112125	/nfs/dbraw/zinc/11/21/25/581112125.db2.gz	QWCOITKMFXMMJR-ZZXKWVIFSA-N	-1	0	280.305	0.786	20	30		CCEDRM
O=C([O-])Cn1cc(C=NN[C@@H](CO)c2ccccc2)nn1	ZINC000788467303	581112990	/nfs/dbraw/zinc/11/29/90/581112990.db2.gz	AGWJCDSLIGIEHI-LBPRGKRZSA-N	-1	0	289.295	0.020	20	30		CCEDRM
O=C([O-])Cn1cc(C=NOCCC(F)(F)F)nn1	ZINC000777456230	581116091	/nfs/dbraw/zinc/11/60/91/581116091.db2.gz	UWRDEQVTSARGGO-UHFFFAOYSA-N	-1	0	266.179	0.666	20	30		CCEDRM
N#C[C@H]1CN(C(=O)c2cccc(OCC(=O)[O-])c2)CCO1	ZINC000739070380	581166525	/nfs/dbraw/zinc/16/65/25/581166525.db2.gz	ZOQVTRBOSXYZGQ-LBPRGKRZSA-N	-1	0	290.275	0.515	20	30		CCEDRM
CC(C)(C#N)CS(=O)(=O)NCC(C)(C)S(C)(=O)=O	ZINC000790033266	581172521	/nfs/dbraw/zinc/17/25/21/581172521.db2.gz	NIFFGPOBKYWRHX-UHFFFAOYSA-N	-1	0	296.414	0.279	20	30		CCEDRM
N#CCN(CC(=O)[O-])C(=O)c1cccc2[nH]ncc21	ZINC000739085640	581174725	/nfs/dbraw/zinc/17/47/25/581174725.db2.gz	BZGMRKYKEZDQLB-UHFFFAOYSA-N	-1	0	258.237	0.613	20	30		CCEDRM
CCCOCC(=O)[N-]S(=O)(=O)CC1(C#N)CCCC1	ZINC000779322104	581180548	/nfs/dbraw/zinc/18/05/48/581180548.db2.gz	ZXYZYHHCUFFXDO-UHFFFAOYSA-N	-1	0	288.369	0.943	20	30		CCEDRM
C#CCCS(=O)(=O)[N-]C(=O)c1cc(C(C)C)n(C)n1	ZINC000791109913	581207492	/nfs/dbraw/zinc/20/74/92/581207492.db2.gz	WTGRWYYSTCPMBO-UHFFFAOYSA-N	-1	0	283.353	0.626	20	30		CCEDRM
N#Cc1ccc([C@@H](O)C(=O)OCc2n[nH]c(=O)[n-]2)cc1	ZINC000780205254	581222317	/nfs/dbraw/zinc/22/23/17/581222317.db2.gz	KUPHJMHHSITNQB-SNVBAGLBSA-N	-1	0	274.236	0.159	20	30		CCEDRM
C=CCNC(=O)C(C#N)=C([O-])c1cn(C(C)(C)C)nn1	ZINC000791770795	581233446	/nfs/dbraw/zinc/23/34/46/581233446.db2.gz	FQIDIUOYCXJJCS-VIFPVBQESA-N	-1	0	275.312	0.658	20	30		CCEDRM
COCCO[N-]C(=O)[C@@H](C#N)Cc1ccc(C#N)cc1	ZINC000792212878	581252564	/nfs/dbraw/zinc/25/25/64/581252564.db2.gz	UTVLIBJZUHDXCN-CYBMUJFWSA-N	-1	0	273.292	0.935	20	30		CCEDRM
COC1(C(=O)[N-]S(=O)(=O)c2ccc(C#N)cc2)CCC1	ZINC000781751435	581276954	/nfs/dbraw/zinc/27/69/54/581276954.db2.gz	GVOLOXJDONFGDW-UHFFFAOYSA-N	-1	0	294.332	0.932	20	30		CCEDRM
CC[C@@H](NN=Cc1cc(C(=O)OC)n(C)c1)C(=O)[O-]	ZINC000793055794	581282264	/nfs/dbraw/zinc/28/22/64/581282264.db2.gz	OYFSFUJAGUBYAF-SECBINFHSA-N	-1	0	267.285	0.598	20	30		CCEDRM
CC[C@@H](NN=C(C)C(C)(C)n1cncn1)C(=O)[O-]	ZINC000793058472	581282600	/nfs/dbraw/zinc/28/26/00/581282600.db2.gz	UOQACJZGBSHLIP-SECBINFHSA-N	-1	0	253.306	0.842	20	30		CCEDRM
C[C@@H]1C[C@@H](C)[C@H](C(=O)[N-]S(=O)(=O)CC2(C#N)CC2)O1	ZINC000793195295	581287801	/nfs/dbraw/zinc/28/78/01/581287801.db2.gz	IIKIDDKYFHGPPN-OPRDCNLKSA-N	-1	0	286.353	0.550	20	30		CCEDRM
C[C@H]1C[C@H](C(=O)[N-]S(=O)(=O)CC2(C#N)CC2)CCO1	ZINC000793195854	581287819	/nfs/dbraw/zinc/28/78/19/581287819.db2.gz	GMFQVXIJSAWTMJ-VHSXEESVSA-N	-1	0	286.353	0.551	20	30		CCEDRM
CC[C@@H]1CC[C@@H](C(=O)[N-]S(=O)(=O)CC2(C#N)CC2)O1	ZINC000793194430	581287905	/nfs/dbraw/zinc/28/79/05/581287905.db2.gz	KOEAIWYKBSBHEA-ZJUUUORDSA-N	-1	0	286.353	0.694	20	30		CCEDRM
CC(C)n1nccc1C(=O)[N-]S(=O)(=O)CC1(C#N)CC1	ZINC000793202171	581288197	/nfs/dbraw/zinc/28/81/97/581288197.db2.gz	WNJARVLUGFSOTR-UHFFFAOYSA-N	-1	0	296.352	0.827	20	30		CCEDRM
COCCCCC(=O)[N-]S(=O)(=O)CC1(C#N)CC1	ZINC000793205775	581288472	/nfs/dbraw/zinc/28/84/72/581288472.db2.gz	PXESLRPJSHAABC-UHFFFAOYSA-N	-1	0	274.342	0.553	20	30		CCEDRM
N#Cc1nccnc1N1CCC[C@@H](CNC(=O)[O-])C1	ZINC000740325572	581326445	/nfs/dbraw/zinc/32/64/45/581326445.db2.gz	VQLHYZLXBMHTAM-VIFPVBQESA-N	-1	0	261.285	0.832	20	30		CCEDRM
N#Cc1c(-c2nnn[n-]2)nc(N)n1[C@H]1C=CCCC1	ZINC000737705707	581327092	/nfs/dbraw/zinc/32/70/92/581327092.db2.gz	QEQNIDOSQUZHRY-ZETCQYMHSA-N	-1	0	256.273	0.798	20	30		CCEDRM
C#CCN1CCN(C(=O)C2(NC(=O)[O-])CCCC2)CC1	ZINC000738459896	581332983	/nfs/dbraw/zinc/33/29/83/581332983.db2.gz	HBRIIKWIWNDMOA-UHFFFAOYSA-N	-1	0	279.340	0.344	20	30		CCEDRM
C#CCN1CCN(C(=O)[C@H](NC(=O)[O-])[C@@H](C)CC)CC1	ZINC000738460736	581333435	/nfs/dbraw/zinc/33/34/35/581333435.db2.gz	NGUCNAFAJKVFPA-NWDGAFQWSA-N	-1	0	281.356	0.446	20	30		CCEDRM
C=C[C@](C)(CCOC)C(=O)[N-]S(=O)(=O)[C@H](C)COC	ZINC000783098126	581335581	/nfs/dbraw/zinc/33/55/81/581335581.db2.gz	NEINHAHXZGKKIN-ZYHUDNBSSA-N	-1	0	293.385	0.696	20	30		CCEDRM
C=C[C@@](C)(CCOC)C(=O)[N-]S(=O)(=O)[C@@H](C)COC	ZINC000783098123	581335752	/nfs/dbraw/zinc/33/57/52/581335752.db2.gz	NEINHAHXZGKKIN-JQWIXIFHSA-N	-1	0	293.385	0.696	20	30		CCEDRM
CC(C)OCC(=O)OCc1cc(=O)n2[n-]cc(C#N)c2n1	ZINC000783198463	581339171	/nfs/dbraw/zinc/33/91/71/581339171.db2.gz	JSVGHCVRQWDZNP-UHFFFAOYSA-N	-1	0	290.279	0.775	20	30		CCEDRM
COC[C@@H](C)S(=O)(=O)[N-]C(=O)c1ccc(C#N)s1	ZINC000750708467	581340634	/nfs/dbraw/zinc/34/06/34/581340634.db2.gz	NZQDXRZCNULZQO-SSDOTTSWSA-N	-1	0	288.350	0.714	20	30		CCEDRM
C#Cc1cccc(NC(=O)CNC(=O)CN(C)C(=O)[O-])c1	ZINC000738467372	581342053	/nfs/dbraw/zinc/34/20/53/581342053.db2.gz	LZIABTLWPNYSOB-UHFFFAOYSA-N	-1	0	289.291	0.332	20	30		CCEDRM
Cc1ccn2ncc(C([O-])=C(C#N)C(=O)NC3CC3)c2n1	ZINC000727953347	581342658	/nfs/dbraw/zinc/34/26/58/581342658.db2.gz	FXNOOHHRCWWYPD-JTQLQIEISA-N	-1	0	283.291	0.639	20	30		CCEDRM
C#Cc1ccc(C(=O)N2CC[C@H](CNC(=O)[O-])C2)nc1	ZINC000738470912	581344427	/nfs/dbraw/zinc/34/44/27/581344427.db2.gz	UGFVINYRYKVMEB-LLVKDONJSA-N	-1	0	273.292	0.793	20	30		CCEDRM
C=CC[C@@H](C)NC(=O)NCCN1CCN(C(=O)[O-])CC1	ZINC000738488660	581358080	/nfs/dbraw/zinc/35/80/80/581358080.db2.gz	LMXLBHYLICQXFS-LLVKDONJSA-N	-1	0	284.360	0.546	20	30		CCEDRM
C[C@@H]1C[C@@H](C(=O)[N-]S(=O)(=O)CC2(C#N)CCC2)CO1	ZINC000784551877	581388398	/nfs/dbraw/zinc/38/83/98/581388398.db2.gz	YMZZLAPOHMOQMZ-NXEZZACHSA-N	-1	0	286.353	0.551	20	30		CCEDRM
C#C[C@@H](NC(=O)c1n[nH]c(=O)[n-]c1=O)c1ccc(F)cc1	ZINC000794896824	581390323	/nfs/dbraw/zinc/39/03/23/581390323.db2.gz	UEVDWYDLJVAITA-SECBINFHSA-N	-1	0	288.238	0.526	20	30		CCEDRM
C[C@H](Oc1ccc(C=NN2C(=O)CNC2=O)cc1)C(=O)[O-]	ZINC000794921077	581390946	/nfs/dbraw/zinc/39/09/46/581390946.db2.gz	ABVHOPDDRVVBSL-QMMMGPOBSA-N	-1	0	291.263	0.424	20	30		CCEDRM
O=C([O-])Cn1cc(CN=Nc2ncccc2F)nn1	ZINC000794980408	581394062	/nfs/dbraw/zinc/39/40/62/581394062.db2.gz	KHBWQSBMSWBQRI-UHFFFAOYSA-N	-1	0	264.220	0.343	20	30		CCEDRM
CC[C@](C)(C#N)C(=O)N1CCO[C@@H](c2nnn[n-]2)C1	ZINC000796264215	581435467	/nfs/dbraw/zinc/43/54/67/581435467.db2.gz	JQFNMOZQOVVXRT-LDYMZIIASA-N	-1	0	264.289	0.039	20	30		CCEDRM
COC(=O)CCCS(=O)(=O)[N-]C(=O)CC(C)(C)C#N	ZINC000786418409	581440340	/nfs/dbraw/zinc/44/03/40/581440340.db2.gz	SHDZDDNEQFYGIT-UHFFFAOYSA-N	-1	0	290.341	0.325	20	30		CCEDRM
CC(C)(C#N)CS(=O)(=O)[N-]C(=O)c1ccnc(C#N)c1	ZINC000796814000	581451178	/nfs/dbraw/zinc/45/11/78/581451178.db2.gz	YZXOYSSNCQWCOZ-UHFFFAOYSA-N	-1	0	292.320	0.563	20	30		CCEDRM
N#Cc1ccc(C(=O)[N-]S(=O)(=O)C[C@@H]2CCCCO2)o1	ZINC000796821828	581451466	/nfs/dbraw/zinc/45/14/66/581451466.db2.gz	FGZGSZMJCZWVHO-JTQLQIEISA-N	-1	0	298.320	0.780	20	30		CCEDRM
Cn1ccnc1C([O-])=C(C#N)C(=O)COC(F)F	ZINC000797161619	581460942	/nfs/dbraw/zinc/46/09/42/581460942.db2.gz	GPHWSKDPSPALMG-ZCFIWIBFSA-N	-1	0	257.196	0.551	20	30		CCEDRM
N#Cc1ccc(NC(=O)Cn2cnc(C(=O)[O-])n2)cc1	ZINC000739120784	581507840	/nfs/dbraw/zinc/50/78/40/581507840.db2.gz	DTONIGFYMSSNIC-UHFFFAOYSA-N	-1	0	271.236	0.487	20	30		CCEDRM
N#Cc1ccsc1NC(=O)COC(=O)[C@@H]1C[C@@H]1C(=O)[O-]	ZINC000739142594	581511189	/nfs/dbraw/zinc/51/11/89/581511189.db2.gz	QBKUALHBVFAIQT-JGVFFNPUSA-N	-1	0	294.288	0.822	20	30		CCEDRM
N#Cc1ncn(CC(=O)Nc2cc(C#N)ccc2[O-])n1	ZINC000769508235	581582188	/nfs/dbraw/zinc/58/21/88/581582188.db2.gz	UHICMSBLJQJTSC-UHFFFAOYSA-N	-1	0	268.236	0.366	20	30		CCEDRM
CN(C[C@@H]1CCN(C(=O)CSCC#N)C1)C(=O)[O-]	ZINC000739643887	581586291	/nfs/dbraw/zinc/58/62/91/581586291.db2.gz	BCCTVQMQBPHZHY-VIFPVBQESA-N	-1	0	271.342	0.701	20	30		CCEDRM
COCCN(CC(=O)N(C)C[C@H](C)C#N)C(=O)[O-]	ZINC000739811452	581622252	/nfs/dbraw/zinc/62/22/52/581622252.db2.gz	CVZRMESXYWNNSJ-SECBINFHSA-N	-1	0	257.290	0.231	20	30		CCEDRM
COCCN(CCC#N)C(=O)[C@@H]1CCN(C(=O)[O-])C1	ZINC000739829771	581626077	/nfs/dbraw/zinc/62/60/77/581626077.db2.gz	VTXQZETZRTZJQL-SNVBAGLBSA-N	-1	0	269.301	0.375	20	30		CCEDRM
C=CCNC(=O)C(C#N)=C([O-])c1cnn2ccccc12	ZINC000735206792	581631915	/nfs/dbraw/zinc/63/19/15/581631915.db2.gz	NHXQLMQQLQBCNM-JTQLQIEISA-N	-1	0	268.276	0.959	20	30		CCEDRM
Cc1nc(-c2nnn[n-]2)c(N=NC(C)c2cnccn2)o1	ZINC000735450706	581647778	/nfs/dbraw/zinc/64/77/78/581647778.db2.gz	CHKWQNCNYHSKFE-UHFFFAOYSA-N	-1	0	285.271	0.789	20	30		CCEDRM
Cn1nnc2ccc(C([O-])=C(C#N)C(=O)NC3CC3)cc21	ZINC000755605336	581648568	/nfs/dbraw/zinc/64/85/68/581648568.db2.gz	ZCZMJNIVNQYXAH-SNVBAGLBSA-N	-1	0	283.291	0.569	20	30		CCEDRM
CC(C)[C@H](C)C(=O)Nc1nc(C#N)c(-c2nn[nH]n2)[n-]1	ZINC000735703204	581650667	/nfs/dbraw/zinc/65/06/67/581650667.db2.gz	SSYHHXDJDHXUEK-LURJTMIESA-N	-1	0	274.288	0.692	20	30		CCEDRM
N#C[C@H](C(=O)[C@@H]1CCN(C(=O)[O-])C1)C(=O)N1CCCC1	ZINC000740303946	581661839	/nfs/dbraw/zinc/66/18/39/581661839.db2.gz	NWGDRWFGXXMEDL-NXEZZACHSA-N	-1	0	279.296	0.318	20	30		CCEDRM
N#C[C@H]1CN(C(=O)NC[C@@H]2CCCCN2C(=O)[O-])CCO1	ZINC000740307429	581663350	/nfs/dbraw/zinc/66/33/50/581663350.db2.gz	RCKMDSHPNRFPJY-QWRGUYRKSA-N	-1	0	296.327	0.453	20	30		CCEDRM
N#C[C@@H]1CN(C(=O)[C@@H]2CCC[C@@H]2NC(=O)[O-])CCO1	ZINC000740309096	581663395	/nfs/dbraw/zinc/66/33/95/581663395.db2.gz	DJQAJVXZCSNDEM-BBBLOLIVSA-N	-1	0	267.285	0.174	20	30		CCEDRM
N#CCCNC(=O)COC(=O)C1(NC(=O)[O-])CCCC1	ZINC000740307884	581663429	/nfs/dbraw/zinc/66/34/29/581663429.db2.gz	CSUBXVGNSRSONX-UHFFFAOYSA-N	-1	0	283.284	0.140	20	30		CCEDRM
N#Cc1ccc(C(=O)N[C@H]2CCCN(C(=O)[O-])C2)cn1	ZINC000740312924	581664473	/nfs/dbraw/zinc/66/44/73/581664473.db2.gz	GIZISEFFQNFENO-NSHDSACASA-N	-1	0	274.280	0.825	20	30		CCEDRM
N#Cc1ccc(OCCNC(=O)CSCC(=O)[O-])cc1	ZINC000740319339	581665129	/nfs/dbraw/zinc/66/51/29/581665129.db2.gz	OPXRLALEWUPFRH-UHFFFAOYSA-N	-1	0	294.332	0.871	20	30		CCEDRM
C#CCOCCC(=O)[N-]S(=O)(=O)CC(CC)CC	ZINC000756564621	581672010	/nfs/dbraw/zinc/67/20/10/581672010.db2.gz	RIOHALKZBZGWKH-UHFFFAOYSA-N	-1	0	275.370	0.909	20	30		CCEDRM
C=CCOCC(=O)[N-]S(=O)(=O)c1cncc(Cl)c1	ZINC000756592313	581672305	/nfs/dbraw/zinc/67/23/05/581672305.db2.gz	ZJDFQFJOTPWHHO-UHFFFAOYSA-N	-1	0	290.728	0.743	20	30		CCEDRM
C#CCN1CCC[C@H]1C(=O)NCCSCC(=O)[O-]	ZINC000736078634	581686202	/nfs/dbraw/zinc/68/62/02/581686202.db2.gz	CKQMKSMABCZAOJ-JTQLQIEISA-N	-1	0	270.354	0.018	20	30		CCEDRM
N#Cc1cccc(S(=O)(=O)[N-]C(=O)C[C@@H]2CCOC2)c1	ZINC000740527352	581692086	/nfs/dbraw/zinc/69/20/86/581692086.db2.gz	DXPRHPYGRFNQPE-NSHDSACASA-N	-1	0	294.332	0.790	20	30		CCEDRM
C#CCCNC(=O)C(=O)Nc1cc(C(=O)[O-])ccc1C	ZINC000736076517	581694713	/nfs/dbraw/zinc/69/47/13/581694713.db2.gz	IGWQGUUONXUULS-UHFFFAOYSA-N	-1	0	274.276	0.771	20	30		CCEDRM
N#Cc1cccc(S(=O)(=O)[N-]C(=O)c2cncnc2)c1	ZINC000761100802	581709609	/nfs/dbraw/zinc/70/96/09/581709609.db2.gz	SFHMYPYVMKRMNC-UHFFFAOYSA-N	-1	0	288.288	0.467	20	30		CCEDRM
CCCC[C@H](ON=C(C)C)C(=O)[N-]OCC(N)=O	ZINC000758453729	581747617	/nfs/dbraw/zinc/74/76/17/581747617.db2.gz	HPZNYMHKDYZTBA-VIFPVBQESA-N	-1	0	259.306	0.491	20	30		CCEDRM
C=CCC(CC=C)C(=O)[N-]S(=O)(=O)N(C)CCOC	ZINC000758533068	581753096	/nfs/dbraw/zinc/75/30/96/581753096.db2.gz	STROIMQMPYCJQH-UHFFFAOYSA-N	-1	0	290.385	0.694	20	30		CCEDRM
C=CCCO[C@H](C)C(=O)[N-]S(=O)(=O)c1cnccn1	ZINC000758580732	581757540	/nfs/dbraw/zinc/75/75/40/581757540.db2.gz	YDBWJILPTKIJMC-SECBINFHSA-N	-1	0	285.325	0.263	20	30		CCEDRM
CC(C)C[C@@H](NC(=O)[O-])C(=O)NC1CCN(CC#N)CC1	ZINC000736423946	581764331	/nfs/dbraw/zinc/76/43/31/581764331.db2.gz	VLZRHWFCJGWSGD-GFCCVEGCSA-N	-1	0	296.371	0.773	20	30		CCEDRM
COC(=O)NCCCC(=O)C(C#N)=C([O-])c1nccn1C	ZINC000770865252	581775282	/nfs/dbraw/zinc/77/52/82/581775282.db2.gz	DPMXVPFETHZXAQ-VIFPVBQESA-N	-1	0	292.295	0.448	20	30		CCEDRM
O=C([O-])Cn1cc(/C=C\C(=O)c2cc(O)ccc2O)nn1	ZINC000759082601	581781652	/nfs/dbraw/zinc/78/16/52/581781652.db2.gz	FPJVSTFZRFIQGU-IWQZZHSRSA-N	-1	0	289.247	0.670	20	30		CCEDRM
C[C@H](CC(=O)N(CC#N)CC(=O)[O-])NC(=O)C1CCCC1	ZINC000736544388	581788302	/nfs/dbraw/zinc/78/83/02/581788302.db2.gz	FSZJODFBHROBPN-SNVBAGLBSA-N	-1	0	295.339	0.508	20	30		CCEDRM
N#CC1(CS(=O)(=O)[N-]C(=O)c2cncc(F)c2)CCC1	ZINC000771078010	581790465	/nfs/dbraw/zinc/79/04/65/581790465.db2.gz	MDDJCLZEBRZVSP-UHFFFAOYSA-N	-1	0	297.311	0.974	20	30		CCEDRM
C[C@@H](NC(=O)Cn1cc(C(=O)[O-])nn1)c1ccc(C#N)cc1	ZINC000736641586	581810246	/nfs/dbraw/zinc/81/02/46/581810246.db2.gz	GKBSQMGJJANHHT-SECBINFHSA-N	-1	0	299.290	0.725	20	30		CCEDRM
C[C@H](NC(=O)c1cccs1)C(=O)N(CC#N)CC(=O)[O-]	ZINC000736660041	581810409	/nfs/dbraw/zinc/81/04/09/581810409.db2.gz	COWZWFZFQRVJHJ-QMMMGPOBSA-N	-1	0	295.320	0.303	20	30		CCEDRM
C=CCNC(=O)c1ccccc1NC(=O)COCC(=O)[O-]	ZINC000743414098	581810880	/nfs/dbraw/zinc/81/08/80/581810880.db2.gz	RTGIYWKTYSFZNU-UHFFFAOYSA-N	-1	0	292.291	0.642	20	30		CCEDRM
N#Cc1ccc([O-])c(NC(=O)C2(C(N)=O)CCC2)c1	ZINC000759720472	581817998	/nfs/dbraw/zinc/81/79/98/581817998.db2.gz	HAAFTLNCLSJNEU-UHFFFAOYSA-N	-1	0	259.265	0.858	20	30		CCEDRM
COCCOc1ccccc1C(=O)N(CC#N)CC(=O)[O-]	ZINC000737821054	581827769	/nfs/dbraw/zinc/82/77/69/581827769.db2.gz	MICWBUSEYZOMIG-UHFFFAOYSA-N	-1	0	292.291	0.762	20	30		CCEDRM
C=CCS(=O)(=O)[N-]C(=O)[C@@H](C)OC[C@@H]1CCCCO1	ZINC000772713344	581842779	/nfs/dbraw/zinc/84/27/79/581842779.db2.gz	NXLHUTDMKZHQKW-MNOVXSKESA-N	-1	0	291.369	0.593	20	30		CCEDRM
CCCC(=O)N1CSC[C@@H]1C(=O)N(CC#N)CC(=O)[O-]	ZINC000736949741	581871752	/nfs/dbraw/zinc/87/17/52/581871752.db2.gz	WITQTJHVJHLXDZ-SECBINFHSA-N	-1	0	299.352	0.125	20	30		CCEDRM
C=CCS(=O)(=O)[N-]C(=O)c1cn(C)nc1C(F)F	ZINC000772714060	581885341	/nfs/dbraw/zinc/88/53/41/581885341.db2.gz	LMJGDTIGNHMZER-UHFFFAOYSA-N	-1	0	279.268	0.603	20	30		CCEDRM
CC(=NNCCS(C)(=O)=O)c1ccc(C(=O)[O-])cc1	ZINC000733205276	581890680	/nfs/dbraw/zinc/89/06/80/581890680.db2.gz	PTMSNJGSSKQTMD-UHFFFAOYSA-N	-1	0	284.337	0.743	20	30		CCEDRM
CS(=O)(=O)CCNN=Cc1ccc([N+](=O)[O-])c([O-])c1	ZINC000733205707	581890877	/nfs/dbraw/zinc/89/08/77/581890877.db2.gz	ILOLSKPOKHHVGT-UHFFFAOYSA-N	-1	0	287.297	0.269	20	30		CCEDRM
CCNC(=O)CN(C)[C@H](C(=O)[O-])c1ccc(C#N)cc1	ZINC000737124241	581910660	/nfs/dbraw/zinc/91/06/60/581910660.db2.gz	IXVOWDKJMIGKDI-ZDUSSCGKSA-N	-1	0	275.308	0.752	20	30		CCEDRM
C=CCCO[C@H](C)C(=O)N1CCSC[C@H]1c1nnn[n-]1	ZINC000773163272	581911847	/nfs/dbraw/zinc/91/18/47/581911847.db2.gz	UOCIVBQGMICMQY-ZJUUUORDSA-N	-1	0	297.384	0.797	20	30		CCEDRM
Cc1cc(C(=O)Nc2nc(C#N)c(-c3nn[nH]n3)[n-]2)no1	ZINC000737238464	581925609	/nfs/dbraw/zinc/92/56/09/581925609.db2.gz	NNOXBBGJTNWUEK-UHFFFAOYSA-N	-1	0	285.227	0.010	20	30		CCEDRM
C=CCN(CC(=O)[O-])C(=O)[C@@H](C)OCCOCC	ZINC000762049175	581929774	/nfs/dbraw/zinc/92/97/74/581929774.db2.gz	AVKWUOYDQODUPZ-SNVBAGLBSA-N	-1	0	259.302	0.527	20	30		CCEDRM
CCc1ncc(C(=O)N(CC#N)CC(=O)[O-])s1	ZINC000737285178	581941136	/nfs/dbraw/zinc/94/11/36/581941136.db2.gz	XSIRULMZSCKYBJ-UHFFFAOYSA-N	-1	0	253.283	0.756	20	30		CCEDRM
C[C@@H]1COCC[C@H]1C(=O)[N-]S(=O)(=O)CCCC#N	ZINC000774175229	581963007	/nfs/dbraw/zinc/96/30/07/581963007.db2.gz	ZXMKGACXSYYGHV-NXEZZACHSA-N	-1	0	274.342	0.409	20	30		CCEDRM
C#CCSCCNC(=O)N1CCC[C@@H](NC(=O)[O-])C1	ZINC000737496452	581965109	/nfs/dbraw/zinc/96/51/09/581965109.db2.gz	UURSYKBURRROJI-SNVBAGLBSA-N	-1	0	285.369	0.794	20	30		CCEDRM
C#CCNC(=O)CN(CCc1ccccc1)CC(=O)[O-]	ZINC000737492232	581965633	/nfs/dbraw/zinc/96/56/33/581965633.db2.gz	GSXHPYPHCCIXDJ-UHFFFAOYSA-N	-1	0	274.320	0.365	20	30		CCEDRM
C=CCS(=O)(=O)[N-]C(=O)c1coc(COC)n1	ZINC000774251637	581966895	/nfs/dbraw/zinc/96/68/95/581966895.db2.gz	SUMQJWVGYLYREM-UHFFFAOYSA-N	-1	0	260.271	0.067	20	30		CCEDRM
C=CCN(CC(=O)[O-])C(=O)CN(C)C(=O)OC(C)(C)C	ZINC000737527345	581973239	/nfs/dbraw/zinc/97/32/39/581973239.db2.gz	NXMOONGGSDBFCO-UHFFFAOYSA-N	-1	0	286.328	0.953	20	30		CCEDRM
CNC(=S)NN=Cc1c(C)nn(CCC(=O)[O-])c1C	ZINC000737552245	581978195	/nfs/dbraw/zinc/97/81/95/581978195.db2.gz	JNAVXNXUCIXIOO-UHFFFAOYSA-N	-1	0	283.357	0.402	20	30		CCEDRM
N#Cc1ccccc1Cn1cccc(-c2nnn[n-]2)c1=O	ZINC000737728063	581997226	/nfs/dbraw/zinc/99/72/26/581997226.db2.gz	XHCNYEGWDLENTH-UHFFFAOYSA-N	-1	0	278.275	0.948	20	30		CCEDRM
C=CCNC(=S)NN=Cc1ccc(C(=O)[O-])[nH]1	ZINC000749811936	582022107	/nfs/dbraw/zinc/02/21/07/582022107.db2.gz	HTHNULCZMUEQTK-UHFFFAOYSA-N	-1	0	252.299	0.697	20	30		CCEDRM
CS(=O)(=O)c1ccc(C(=O)N(CC#N)CC(=O)[O-])cc1	ZINC000738175825	582026363	/nfs/dbraw/zinc/02/63/63/582026363.db2.gz	PGVQHUSGUQCLDQ-UHFFFAOYSA-N	-1	0	296.304	0.140	20	30		CCEDRM
C=CCOCC(=O)[N-]S(=O)(=O)CCC(C)(C)OC	ZINC000764316009	582042196	/nfs/dbraw/zinc/04/21/96/582042196.db2.gz	LZUMICHAZJPEJY-UHFFFAOYSA-N	-1	0	279.358	0.450	20	30		CCEDRM
Cc1cc(F)ccc1S(=O)(=O)N(CC#N)CC(=O)[O-]	ZINC000738401858	582045813	/nfs/dbraw/zinc/04/58/13/582045813.db2.gz	JZFZWNZLRXTGCI-UHFFFAOYSA-N	-1	0	286.284	0.733	20	30		CCEDRM
C#CCN1CCC[C@H]1C(=O)NC[C@@H](NC(=O)[O-])C(C)C	ZINC000738461536	582053076	/nfs/dbraw/zinc/05/30/76/582053076.db2.gz	UMGVOSJAXJOPGU-NEPJUHHUSA-N	-1	0	281.356	0.492	20	30		CCEDRM
CC(C)(C#N)CS(=O)(=O)[N-]C(=O)[C@H]1CCSC1	ZINC000776138060	582053466	/nfs/dbraw/zinc/05/34/66/582053466.db2.gz	DTSQQGCTQFJKCE-QMMMGPOBSA-N	-1	0	276.383	0.735	20	30		CCEDRM
COCCC1(C(=O)[N-]S(=O)(=O)CC(C)(C)C#N)CC1	ZINC000776140584	582053962	/nfs/dbraw/zinc/05/39/62/582053962.db2.gz	BUUBAQKNEKRBIC-UHFFFAOYSA-N	-1	0	288.369	0.799	20	30		CCEDRM
CC(C)(C#N)CS(=O)(=O)[N-]C(=O)CC[C@H]1CCCO1	ZINC000776142843	582054025	/nfs/dbraw/zinc/05/40/25/582054025.db2.gz	AWXJGVDJCLSVAR-SNVBAGLBSA-N	-1	0	288.369	0.941	20	30		CCEDRM
Cc1cc([N+](=O)[O-])ccc1C(=O)N(CC#N)CC(=O)[O-]	ZINC000738483083	582055048	/nfs/dbraw/zinc/05/50/48/582055048.db2.gz	WFXPMOGKCPQZKQ-UHFFFAOYSA-N	-1	0	277.236	0.954	20	30		CCEDRM
CSCCC(=O)[N-]S(=O)(=O)CC(C)(C)C#N	ZINC000776147031	582055062	/nfs/dbraw/zinc/05/50/62/582055062.db2.gz	UNCPWJGOLXOBFT-UHFFFAOYSA-N	-1	0	264.372	0.735	20	30		CCEDRM
C=CCN(CC(=O)OCC)C(=O)[C@H]1CCN(C(=O)[O-])C1	ZINC000738490356	582055545	/nfs/dbraw/zinc/05/55/45/582055545.db2.gz	RTPHKDKJERDKTI-JTQLQIEISA-N	-1	0	284.312	0.564	20	30		CCEDRM
C=CCNC(=O)[C@H](C)N1C[C@@H](C)N(C(=O)[O-])[C@H](C)C1	ZINC000738494773	582056201	/nfs/dbraw/zinc/05/62/01/582056201.db2.gz	DTXNZJCFXQHCBA-MXWKQRLJSA-N	-1	0	269.345	0.750	20	30		CCEDRM
C[C@H](C(=O)N(C)CCC#N)N1CCC[C@H](N(C)C(=O)[O-])C1	ZINC000738605447	582065764	/nfs/dbraw/zinc/06/57/64/582065764.db2.gz	VSEIGVPFSFKZOU-NEPJUHHUSA-N	-1	0	296.371	0.821	20	30		CCEDRM
N#Cc1cc(O)cc(C(=O)NCC(=O)OCC2CC2)c1	ZINC000776343736	582069771	/nfs/dbraw/zinc/06/97/71/582069771.db2.gz	HQGIDOUCJZIORB-UHFFFAOYSA-N	-1	0	274.276	0.947	20	30		CCEDRM
CC(C)(NC(=O)[O-])c1noc(CN2CCO[C@@H](C#N)C2)n1	ZINC000738755953	582073789	/nfs/dbraw/zinc/07/37/89/582073789.db2.gz	WDRCCHGZJDCZDQ-QMMMGPOBSA-N	-1	0	295.299	0.297	20	30		CCEDRM
CC(C)(NC(=O)[O-])C(=O)NC1CCN(CC#N)CC1	ZINC000738754798	582073792	/nfs/dbraw/zinc/07/37/92/582073792.db2.gz	UQROLRLEKHQQIR-UHFFFAOYSA-N	-1	0	268.317	0.137	20	30		CCEDRM
CC(C)NC(=O)[C@@H](C#N)C(=O)[C@@H]1CCN(C(=O)[O-])C1	ZINC000738854038	582083340	/nfs/dbraw/zinc/08/33/40/582083340.db2.gz	LSIDBTUIHPLTNI-BDAKNGLRSA-N	-1	0	267.285	0.220	20	30		CCEDRM
C[C@H](CNC(=O)[O-])N(C)C(=O)NC1CCN(CC#N)CC1	ZINC000738930359	582090654	/nfs/dbraw/zinc/09/06/54/582090654.db2.gz	UXFCRKROPXHEEQ-SNVBAGLBSA-N	-1	0	297.359	0.272	20	30		CCEDRM
N#C[C@H](C(=O)CCSCC(=O)[O-])C(=O)NC1CCCC1	ZINC000739074707	582101188	/nfs/dbraw/zinc/10/11/88/582101188.db2.gz	LLJZDYSDHFULPT-SNVBAGLBSA-N	-1	0	298.364	0.962	20	30		CCEDRM
N#CCN(CC(=O)[O-])C(=O)[C@@H]1COc2ccccc21	ZINC000739077577	582101476	/nfs/dbraw/zinc/10/14/76/582101476.db2.gz	RGDXVDYLBYGJCW-SNVBAGLBSA-N	-1	0	260.249	0.599	20	30		CCEDRM
N#CCN(CC(=O)[O-])C(=O)[C@@H]1CC(=O)N(C2CCCC2)C1	ZINC000739076469	582101502	/nfs/dbraw/zinc/10/15/02/582101502.db2.gz	WUYXSUIEQWXKMF-SNVBAGLBSA-N	-1	0	293.323	0.214	20	30		CCEDRM
N#CCN(CC(=O)[O-])C(=O)c1cc(-c2cccnc2)on1	ZINC000739078491	582101643	/nfs/dbraw/zinc/10/16/43/582101643.db2.gz	HSCUIEWFJMUDOV-UHFFFAOYSA-N	-1	0	286.247	0.787	20	30		CCEDRM
N#CCN(CC(=O)[O-])C(=O)c1ccc(Cn2ccnc2)cc1	ZINC000739085833	582101804	/nfs/dbraw/zinc/10/18/04/582101804.db2.gz	DCNYOJCCKYJZND-UHFFFAOYSA-N	-1	0	298.302	0.982	20	30		CCEDRM
N#CCN(CC(=O)[O-])C(=O)c1ccc(N2CCCC2)nn1	ZINC000739087018	582101809	/nfs/dbraw/zinc/10/18/09/582101809.db2.gz	JXEKMGFHYXBJDE-UHFFFAOYSA-N	-1	0	289.295	0.127	20	30		CCEDRM
CC(=NN1CC(=O)N(C)C1=O)c1cc([N+](=O)[O-])ccc1[O-]	ZINC000768377617	582106050	/nfs/dbraw/zinc/10/60/50/582106050.db2.gz	BUEWSIUIXHXNAD-UHFFFAOYSA-N	-1	0	292.251	0.918	20	30		CCEDRM
C[C@@H]1CC(N=C([O-])CS(=O)(=O)C(C)(C)C)=NO1	ZINC000768488987	582107263	/nfs/dbraw/zinc/10/72/63/582107263.db2.gz	LYQIPKLUYHUOLX-SSDOTTSWSA-N	-1	0	262.331	0.438	20	30		CCEDRM
C#CCOCCC(=O)Nc1nnc(CCCC(=O)[O-])s1	ZINC000833364172	612981355	/nfs/dbraw/zinc/98/13/55/612981355.db2.gz	KVCGKZVBYKXMEP-UHFFFAOYSA-N	-1	0	297.336	0.924	20	30		CCEDRM
C=C(Br)CNC(=O)CSCC(=O)[O-]	ZINC000164713136	597099041	/nfs/dbraw/zinc/09/90/41/597099041.db2.gz	DEEADALABYMVPK-UHFFFAOYSA-N	-1	0	268.132	0.829	20	30		CCEDRM
C[C@H](NC(=O)C(=O)Nc1cc(C#N)ccc1Cl)C(=O)[O-]	ZINC000818018372	597324075	/nfs/dbraw/zinc/32/40/75/597324075.db2.gz	OZOJDFDVUUXQAG-LURJTMIESA-N	-1	0	295.682	0.739	20	30		CCEDRM
C#CCCCS(=O)(=O)[N-]c1nc2ncccn2n1	ZINC000820802093	612985515	/nfs/dbraw/zinc/98/55/15/612985515.db2.gz	YTGUBYVQQIEXPR-UHFFFAOYSA-N	-1	0	265.298	0.279	20	30		CCEDRM
N#Cc1cccc(CC(=O)N2CCO[C@H](C(=O)[O-])C2)c1	ZINC000819106220	597495224	/nfs/dbraw/zinc/49/52/24/597495224.db2.gz	HSEAASYWQIJNEV-LBPRGKRZSA-N	-1	0	274.276	0.413	20	30		CCEDRM
Cc1cc(NC(=O)[C@@](C)(C#N)CC(=O)[O-])nn1C	ZINC000821008375	597604025	/nfs/dbraw/zinc/60/40/25/597604025.db2.gz	CIWQMKSEIXNCJG-LLVKDONJSA-N	-1	0	250.258	0.672	20	30		CCEDRM
C[C@@](C#N)(CC(=O)[O-])C(=O)OCCn1cc([N+](=O)[O-])cn1	ZINC000819874732	597614195	/nfs/dbraw/zinc/61/41/95/597614195.db2.gz	PRLZUOIFOMQRIX-NSHDSACASA-N	-1	0	296.239	0.339	20	30		CCEDRM
C[C@](C#N)(CC(=O)[O-])C(=O)OCCCN1CCOC1=O	ZINC000819866320	597615452	/nfs/dbraw/zinc/61/54/52/597615452.db2.gz	VRTZPTPSYJHQNM-GFCCVEGCSA-N	-1	0	284.268	0.376	20	30		CCEDRM
C[C@@](C#N)(CC(=O)[O-])C(=O)OCC(=O)C1CCC1	ZINC000819865511	597621753	/nfs/dbraw/zinc/62/17/53/597621753.db2.gz	MDAZHSFSGHCOAK-LBPRGKRZSA-N	-1	0	253.254	0.903	20	30		CCEDRM
Cn1cc(CCNC(=O)[C@@](C)(C#N)CC(=O)[O-])cn1	ZINC000821287282	597636944	/nfs/dbraw/zinc/63/69/44/597636944.db2.gz	HGAISIYTWWMJPA-GFCCVEGCSA-N	-1	0	264.285	0.083	20	30		CCEDRM
C[C@](C#N)(CC(=O)[O-])C(=O)NCc1ccc(CO)c(F)c1	ZINC000819842421	597637593	/nfs/dbraw/zinc/63/75/93/597637593.db2.gz	PINYTGKVOMSMBC-CQSZACIVSA-N	-1	0	294.282	0.939	20	30		CCEDRM
C[C@](C#N)(CC(=O)[O-])C(=O)N1CCN(CC(F)F)CC1	ZINC000819820883	597639004	/nfs/dbraw/zinc/63/90/04/597639004.db2.gz	APCIKKHSPHLPEN-GFCCVEGCSA-N	-1	0	289.282	0.400	20	30		CCEDRM
Cc1nccn1CCNC(=O)[C@@](C)(C#N)CC(=O)[O-]	ZINC000821197003	597641610	/nfs/dbraw/zinc/64/16/10/597641610.db2.gz	UNCSHKWAUCKMAY-GFCCVEGCSA-N	-1	0	264.285	0.312	20	30		CCEDRM
C[C@@H](CNC(=O)[C@](C)(C#N)CC(=O)[O-])C[C@H](C)O	ZINC000820161544	597651426	/nfs/dbraw/zinc/65/14/26/597651426.db2.gz	QPICPOPGDTVSEB-PTRXPTGYSA-N	-1	0	256.302	0.514	20	30		CCEDRM
C[C@@](C#N)(CC(=O)[O-])C(=O)NCC[C@H](O)C(F)(F)F	ZINC000819834525	597652595	/nfs/dbraw/zinc/65/25/95/597652595.db2.gz	OCNAHNISFMRRKS-RCOVLWMOSA-N	-1	0	282.218	0.420	20	30		CCEDRM
C[C@@](C#N)(CC(=O)[O-])C(=O)N1CCc2c[nH]nc2C1	ZINC000819822831	597658117	/nfs/dbraw/zinc/65/81/17/597658117.db2.gz	QBWNAGQPBQWCGQ-LBPRGKRZSA-N	-1	0	262.269	0.299	20	30		CCEDRM
COc1ccccc1C=NOCC(=O)NCC(=O)[O-]	ZINC000820876532	597760471	/nfs/dbraw/zinc/76/04/71/597760471.db2.gz	ORYXHSIKQLMGPV-UHFFFAOYSA-N	-1	0	266.253	0.247	20	30		CCEDRM
N#Cc1csc(CN2CCO[C@@H](C(=O)[O-])C2)c1	ZINC000821345325	598125273	/nfs/dbraw/zinc/12/52/73/598125273.db2.gz	WICBOVDIOKQSJT-SNVBAGLBSA-N	-1	0	252.295	0.905	20	30		CCEDRM
CS(=O)(=O)CCNN=Cc1cccc(C(=O)[O-])c1	ZINC000814849078	598201536	/nfs/dbraw/zinc/20/15/36/598201536.db2.gz	HHSQKBYRAQZADV-UHFFFAOYSA-N	-1	0	270.310	0.353	20	30		CCEDRM
Cn1cc(NC(=O)[C@@](C)(C#N)CC(=O)[O-])ccc1=O	ZINC000821298403	598224904	/nfs/dbraw/zinc/22/49/04/598224904.db2.gz	SSUBBPXHEPDMOL-GFCCVEGCSA-N	-1	0	263.253	0.328	20	30		CCEDRM
C[C@](C#N)(CC(=O)[O-])C(=O)OCC(=O)NC1CCCCC1	ZINC000819866081	598227313	/nfs/dbraw/zinc/22/73/13/598227313.db2.gz	RHVLCFVTSUMTFX-CQSZACIVSA-N	-1	0	296.323	0.983	20	30		CCEDRM
C[C@H](NC(=O)[C@](C)(C#N)CC(=O)[O-])C(=O)OC(C)(C)C	ZINC000820115547	598230930	/nfs/dbraw/zinc/23/09/30/598230930.db2.gz	XDSCMPUTFHDORN-SDBXPKJASA-N	-1	0	284.312	0.837	20	30		CCEDRM
CC[C@@](C)(NS(=O)(=O)c1ccc(C#N)nc1)C(=O)[O-]	ZINC000228698573	599730308	/nfs/dbraw/zinc/73/03/08/599730308.db2.gz	OKHZYIVMOMTHLB-LLVKDONJSA-N	-1	0	283.309	0.485	20	30		CCEDRM
N#Cc1ccc(C(=O)N2CCC[C@H](C(=O)[O-])C2)nc1	ZINC000083692925	599731183	/nfs/dbraw/zinc/73/11/83/599731183.db2.gz	DRINMVLVBYFLRY-JTQLQIEISA-N	-1	0	259.265	0.890	20	30		CCEDRM
N#Cc1cccc(C(=O)N[C@@H](Cc2c[nH]cn2)C(=O)[O-])c1	ZINC000019400322	599777758	/nfs/dbraw/zinc/77/77/58/599777758.db2.gz	NRDIKMOZXWCIPE-LBPRGKRZSA-N	-1	0	284.275	0.707	20	30		CCEDRM
C[C@]1(c2cccc(C#N)c2)NC(=O)N(CC(=O)[O-])C1=O	ZINC000070092684	600026177	/nfs/dbraw/zinc/02/61/77/600026177.db2.gz	HRFINHFMNIIYCU-CYBMUJFWSA-N	-1	0	273.248	0.410	20	30		CCEDRM
N#C[C@H]1CN(C(=O)NC2CCC(C(=O)[O-])CC2)CCO1	ZINC000093937428	600030197	/nfs/dbraw/zinc/03/01/97/600030197.db2.gz	OMDOZFMHFDJKGU-ILDUYXDCSA-N	-1	0	281.312	0.564	20	30		CCEDRM
C#CCNC(=O)N1CC[C@](C)([N-]C(=O)C(F)(F)F)C1	ZINC000864428133	612946572	/nfs/dbraw/zinc/94/65/72/612946572.db2.gz	BRNQJJIUIDQFJP-JTQLQIEISA-N	-1	0	277.246	0.472	20	30		CCEDRM
C#CCSCC(=O)N1CCSC[C@H]1c1nnn[n-]1	ZINC000907473041	613010813	/nfs/dbraw/zinc/01/08/13/613010813.db2.gz	BKMASYHZPTZZSX-QMMMGPOBSA-N	-1	0	283.382	0.183	20	30		CCEDRM
COc1ccc(S(=O)(=O)N[C@H](C)CC#N)cc1C(=O)[O-]	ZINC000050392046	600581547	/nfs/dbraw/zinc/58/15/47/600581547.db2.gz	JKVYPFUIRPLSBB-MRVPVSSYSA-N	-1	0	298.320	0.974	20	30		CCEDRM
C=CCNC(=O)NC(=O)CSC[C@@H](C)C(=O)[O-]	ZINC000086109122	600602748	/nfs/dbraw/zinc/60/27/48/600602748.db2.gz	DSEBOOAVAQJJJI-SSDOTTSWSA-N	-1	0	260.315	0.452	20	30		CCEDRM
N#Cc1cc(C(=O)[O-])cn(CCCCCO)c1=O	ZINC000833068842	600836286	/nfs/dbraw/zinc/83/62/86/600836286.db2.gz	NIZGKAJLMYJXSE-UHFFFAOYSA-N	-1	0	250.254	0.581	20	30		CCEDRM
N#CCN(CC(=O)[O-])CC(=O)Nc1ccccc1[N+](=O)[O-]	ZINC000833067410	601005481	/nfs/dbraw/zinc/00/54/81/601005481.db2.gz	SSXZVJJQQJRHEV-UHFFFAOYSA-N	-1	0	292.251	0.443	20	30		CCEDRM
C#CCSCC(=O)[N-]S(=O)(=O)CC(C)(C)C	ZINC000892684365	613013005	/nfs/dbraw/zinc/01/30/05/613013005.db2.gz	HEJWYGSFKLRASL-UHFFFAOYSA-N	-1	0	263.384	0.845	20	30		CCEDRM
CS(=O)(=O)NN=C1CCc2cccc(C(=O)[O-])c2C1	ZINC000814872835	617176743	/nfs/dbraw/zinc/17/67/43/617176743.db2.gz	AFVAJFILRHPSTE-UHFFFAOYSA-N	-1	0	282.321	0.779	20	30		CCEDRM
Cc1nc(C)c(C#N)c(SC[C@H](O)CC(=O)[O-])n1	ZINC000832995017	601208501	/nfs/dbraw/zinc/20/85/01/601208501.db2.gz	XPTXUKPLDZUXBJ-MRVPVSSYSA-N	-1	0	267.310	0.893	20	30		CCEDRM
Cn1c(CN(CC#N)CC(=O)[O-])nnc1-c1ccccc1	ZINC000833039042	601226973	/nfs/dbraw/zinc/22/69/73/601226973.db2.gz	UDORYQQCOHMWLM-UHFFFAOYSA-N	-1	0	285.307	0.892	20	30		CCEDRM
C#CCN1CCN(C(=O)c2ccnc(C(=O)[O-])c2)CC1	ZINC000383810389	601286451	/nfs/dbraw/zinc/28/64/51/601286451.db2.gz	KFDQLFWCIWFILW-UHFFFAOYSA-N	-1	0	273.292	0.171	20	30		CCEDRM
N#Cc1c[nH]c(C(=O)NC2(CC(=O)[O-])CCOCC2)c1	ZINC000833068232	601327128	/nfs/dbraw/zinc/32/71/28/601327128.db2.gz	RQLOSQAXLAPNFP-UHFFFAOYSA-N	-1	0	277.280	0.640	20	30		CCEDRM
N#CCNC(=O)CNc1ccc(F)c(NC(=O)[O-])c1	ZINC000833067039	601391533	/nfs/dbraw/zinc/39/15/33/601391533.db2.gz	OFOUQQBNQJZXCW-UHFFFAOYSA-N	-1	0	266.232	0.967	20	30		CCEDRM
Cn1cc(C#N)cc1C(=O)N[C@@H](CC(=O)[O-])C1CC1	ZINC000833041114	601525979	/nfs/dbraw/zinc/52/59/79/601525979.db2.gz	XVTBVOVHDSHIJB-JTQLQIEISA-N	-1	0	261.281	0.880	20	30		CCEDRM
N#CCOc1ccc(CN2CCOC[C@H]2C(=O)[O-])cc1	ZINC000833067386	601558644	/nfs/dbraw/zinc/55/86/44/601558644.db2.gz	DGCCFYXBWHUNEI-ZDUSSCGKSA-N	-1	0	276.292	0.874	20	30		CCEDRM
COC[C@](C)(NC(=O)c1cccc(C#N)c1)C(=O)[O-]	ZINC000237143648	601691348	/nfs/dbraw/zinc/69/13/48/601691348.db2.gz	OCDCQJMAJRZLKG-ZDUSSCGKSA-N	-1	0	262.265	0.778	20	30		CCEDRM
C[C@H]1CN(C(=O)Nc2ccn(CCC#N)n2)C[C@H]1C(=O)[O-]	ZINC000828388269	601794254	/nfs/dbraw/zinc/79/42/54/601794254.db2.gz	XMCWNJAPAMIOFP-VHSXEESVSA-N	-1	0	291.311	0.981	20	30		CCEDRM
C[C@H](CC(=O)[O-])C(=O)NCCNc1ccc(C#N)cn1	ZINC000827291080	602091426	/nfs/dbraw/zinc/09/14/26/602091426.db2.gz	HJPBVZJWSCCRDH-SECBINFHSA-N	-1	0	276.296	0.592	20	30		CCEDRM
N#Cc1ccnc(N2CC[C@H](C(=O)[O-])C2)c1[N+](=O)[O-]	ZINC000214649596	602126326	/nfs/dbraw/zinc/12/63/26/602126326.db2.gz	SBWYTSLVLHULHD-QMMMGPOBSA-N	-1	0	262.225	0.772	20	30		CCEDRM
N#Cc1ccnc(N2CCO[C@H](C(=O)[O-])C2)c1[N+](=O)[O-]	ZINC000214558947	602129335	/nfs/dbraw/zinc/12/93/35/602129335.db2.gz	HVQBJWKCFDAYIC-QMMMGPOBSA-N	-1	0	278.224	0.151	20	30		CCEDRM
N#CCNS(=O)(=O)c1cc(Cl)ccc1C(=O)[O-]	ZINC000833067273	602154447	/nfs/dbraw/zinc/15/44/47/602154447.db2.gz	BYCCGZAMXLJYQM-UHFFFAOYSA-N	-1	0	274.685	0.840	20	30		CCEDRM
CC(C)[C@](C)(C#N)NC(=O)[C@@H](C)OC(=O)CN(C)C(=O)[O-]	ZINC000739040592	602206609	/nfs/dbraw/zinc/20/66/09/602206609.db2.gz	CRQRVEQVAAGGFB-RNCFNFMXSA-N	-1	0	299.327	0.582	20	30		CCEDRM
Cn1c(=O)[nH]cc(C(=O)C=Cc2ccc(C(=O)[O-])[nH]2)c1=O	ZINC000833037709	602300079	/nfs/dbraw/zinc/30/00/79/602300079.db2.gz	OSIWXHCACMFTMJ-HYXAFXHYSA-N	-1	0	289.247	0.408	20	30		CCEDRM
C#CCSCCNC(=O)[C@H]1CC[C@@H](CCC(=O)[O-])O1	ZINC000911422980	613017865	/nfs/dbraw/zinc/01/78/65/613017865.db2.gz	HCVUZMHOUNNIGY-WDEREUQCSA-N	-1	0	285.365	0.881	20	30		CCEDRM
C[C@@H](CC(=O)Nc1cnn(CC#N)c1)NC(=O)[O-]	ZINC000824710565	602773230	/nfs/dbraw/zinc/77/32/30/602773230.db2.gz	JPCQLKZABOHOOD-ZETCQYMHSA-N	-1	0	251.246	0.391	20	30		CCEDRM
C#CC[C@@H](CCOC)NC(=O)c1cc(=O)n(C)[n-]1	ZINC000863779564	613022135	/nfs/dbraw/zinc/02/21/35/613022135.db2.gz	PVYIBKSSUORJQL-VIFPVBQESA-N	-1	0	251.286	0.284	20	30		CCEDRM
N#C[C@@H](OC(=O)[C@]1(F)CCN(C(=O)[O-])C1)C1CC1	ZINC000831070016	603498184	/nfs/dbraw/zinc/49/81/84/603498184.db2.gz	CAUVABDQBWQYBJ-KCJUWKMLSA-N	-1	0	256.233	0.924	20	30		CCEDRM
C#CCNC(=O)[C@H](C)OC(=O)[C@H](NC(=O)[O-])[C@H](C)CC	ZINC000823456863	612951239	/nfs/dbraw/zinc/95/12/39/612951239.db2.gz	RBRGGMZZMUCLLM-KXUCPTDWSA-N	-1	0	284.312	0.350	20	30		CCEDRM
N#Cc1cccc(CNC(=O)[C@H]2C[C@@H](O)CN2C(=O)[O-])c1	ZINC000831146436	603575508	/nfs/dbraw/zinc/57/55/08/603575508.db2.gz	PBUBYMCZRFYAKY-VXGBXAGGSA-N	-1	0	289.291	0.288	20	30		CCEDRM
N#CCN1CCC[C@@H](CNC(=O)[C@@H]2CCN(C(=O)[O-])C2)C1	ZINC000831102768	603735372	/nfs/dbraw/zinc/73/53/72/603735372.db2.gz	UHQGEPMVXDRUPW-NWDGAFQWSA-N	-1	0	294.355	0.338	20	30		CCEDRM
C[C@@H](OC(=O)C(C)(C)CNC(=O)[O-])C(=O)N(C)CCC#N	ZINC000825535487	603751493	/nfs/dbraw/zinc/75/14/93/603751493.db2.gz	MGZMZRFMKGTTSC-SECBINFHSA-N	-1	0	299.327	0.584	20	30		CCEDRM
CC1CC(C#N)(C(=O)N2CCN(C(=O)[O-])CC2)C1	ZINC000825784302	603830813	/nfs/dbraw/zinc/83/08/13/603830813.db2.gz	XMUDSIFTQQIWOA-UHFFFAOYSA-N	-1	0	251.286	0.748	20	30		CCEDRM
N#CC1(NC(=O)[C@H]2CC[C@H](NC(=O)[O-])C2)CCOCC1	ZINC000831071019	603982997	/nfs/dbraw/zinc/98/29/97/603982997.db2.gz	WWBKTEKSGDPQHJ-UWVGGRQHSA-N	-1	0	281.312	0.612	20	30		CCEDRM
N#CC1CCN(C(=O)COC2CN(C(=O)[O-])C2)CC1	ZINC000831077311	603991703	/nfs/dbraw/zinc/99/17/03/603991703.db2.gz	YYRZPQCKYDSPKC-UHFFFAOYSA-N	-1	0	267.285	0.127	20	30		CCEDRM
C=CCOCCCC(=O)O[C@H]1CN(C(=O)[O-])CCC1=O	ZINC000823516571	603996015	/nfs/dbraw/zinc/99/60/15/603996015.db2.gz	OXPWULICZHBCDH-NSHDSACASA-N	-1	0	285.296	0.834	20	30		CCEDRM
C[C@H]1CCC[C@@](C#N)(NC(=O)COC2CN(C(=O)[O-])C2)C1	ZINC000825881093	604010874	/nfs/dbraw/zinc/01/08/74/604010874.db2.gz	SOODSESEUJPLOU-IINYFYTJSA-N	-1	0	295.339	0.954	20	30		CCEDRM
C[C@H](C#N)C(=O)N1CC[C@H]2CC[C@@H](C1)N2C(=O)[O-]	ZINC000823646877	604028531	/nfs/dbraw/zinc/02/85/31/604028531.db2.gz	HIYGKZKWWFCOBC-BBBLOLIVSA-N	-1	0	251.286	0.889	20	30		CCEDRM
Cc1ocnc1C(=O)N1CCN(C(=O)[O-])C[C@@H]1C#N	ZINC000830952988	604067495	/nfs/dbraw/zinc/06/74/95/604067495.db2.gz	OOQWSCSHYOKZHW-QMMMGPOBSA-N	-1	0	264.241	0.311	20	30		CCEDRM
Cc1ncc(C(=O)N2CCN(C(=O)[O-])C[C@H]2C#N)s1	ZINC000830803504	604088928	/nfs/dbraw/zinc/08/89/28/604088928.db2.gz	AGYOCSALRCAACC-MRVPVSSYSA-N	-1	0	280.309	0.780	20	30		CCEDRM
N#Cc1ccnc(N2CC[C@H](CNC(=O)[O-])C2)c1[N+](=O)[O-]	ZINC000831156655	604441841	/nfs/dbraw/zinc/44/18/41/604441841.db2.gz	GBCZPMFYAKFAKH-MRVPVSSYSA-N	-1	0	291.267	0.955	20	30		CCEDRM
N#C[C@@H]1CN(CC(=O)NC2(C(=O)[O-])CCCCC2)CCO1	ZINC000833063422	604762804	/nfs/dbraw/zinc/76/28/04/604762804.db2.gz	WERFBPJSAJGGBG-LLVKDONJSA-N	-1	0	295.339	0.114	20	30		CCEDRM
C[C@@H]1CCC[C@](C#N)(NC(=O)[C@@H]2CN(C(=O)[O-])CCO2)C1	ZINC000825880092	604923998	/nfs/dbraw/zinc/92/39/98/604923998.db2.gz	HBVFSNSTMIDGMU-SUNKGSAMSA-N	-1	0	295.339	0.954	20	30		CCEDRM
C=C1CCN(S(=O)(=O)c2n[nH]c(C)c2C(=O)[O-])CC1	ZINC000382541562	605026119	/nfs/dbraw/zinc/02/61/19/605026119.db2.gz	VCECEDZHELYIRP-UHFFFAOYSA-N	-1	0	285.325	0.757	20	30		CCEDRM
CC(C)(CC(=O)[O-])CC(=O)N1CCO[C@@H](C#N)C1	ZINC000093932418	605109147	/nfs/dbraw/zinc/10/91/47/605109147.db2.gz	ZRYUXOXSNBYDHO-VIFPVBQESA-N	-1	0	254.286	0.628	20	30		CCEDRM
C[C@H](C#N)OC(=O)CO[C@@H]1CCCN(C(=O)[O-])C1	ZINC000823646405	605336154	/nfs/dbraw/zinc/33/61/54/605336154.db2.gz	BEJYNDWUVXIRGO-RKDXNWHRSA-N	-1	0	256.258	0.601	20	30		CCEDRM
Cc1ccc(C#N)cc1NC(=O)CNC(=O)CNC(=O)[O-]	ZINC000833901180	605349915	/nfs/dbraw/zinc/34/99/15/605349915.db2.gz	DYWLBVASWNWPAR-UHFFFAOYSA-N	-1	0	290.279	0.189	20	30		CCEDRM
N#CCCCNC(=O)c1csc(CNC(=O)[O-])n1	ZINC000833965222	605350004	/nfs/dbraw/zinc/35/00/04/605350004.db2.gz	FNGISFIMSIDEEU-UHFFFAOYSA-N	-1	0	268.298	0.944	20	30		CCEDRM
C[C@@]1(C#N)CCCN(CCc2cn(CC(=O)[O-])nn2)C1	ZINC000833551530	605419171	/nfs/dbraw/zinc/41/91/71/605419171.db2.gz	NYLHHHYARSWTAY-ZDUSSCGKSA-N	-1	0	277.328	0.531	20	30		CCEDRM
N#C[C@H]1COCCN1C(=O)c1ccc(NC(=O)[O-])cc1O	ZINC000833968098	605652951	/nfs/dbraw/zinc/65/29/51/605652951.db2.gz	UIENTQHDQJSRDS-VIFPVBQESA-N	-1	0	291.263	0.847	20	30		CCEDRM
Cn1c(Cl)cnc1CN[C@H]1CN(C(=O)[O-])C[C@@H]1C#N	ZINC000833942604	605684395	/nfs/dbraw/zinc/68/43/95/605684395.db2.gz	YPDBGPZLQJYTMM-YUMQZZPRSA-N	-1	0	283.719	0.665	20	30		CCEDRM
N#Cc1ccc(S(=O)(=O)NCC2CN(C(=O)[O-])C2)cc1	ZINC000833975742	605726192	/nfs/dbraw/zinc/72/61/92/605726192.db2.gz	FFVJSUPTMQRLPL-UHFFFAOYSA-N	-1	0	295.320	0.446	20	30		CCEDRM
NC(=O)CON=C1CCC[C@H]1[C@H]1CCCN1C(=O)[O-]	ZINC000833984356	605754493	/nfs/dbraw/zinc/75/44/93/605754493.db2.gz	DSOMCMLTDQQVSB-PSASIEDQSA-N	-1	0	269.301	0.787	20	30		CCEDRM
N#CCCNC(=O)CN(C1CC1)[C@H]1CCN(C(=O)[O-])C1	ZINC000833965517	605774947	/nfs/dbraw/zinc/77/49/47/605774947.db2.gz	MWMOOSLSAHRLBB-NSHDSACASA-N	-1	0	280.328	0.233	20	30		CCEDRM
N#Cc1ccc(C(=O)N2CCC(NC(=O)[O-])CC2)[nH]1	ZINC000833973215	605851570	/nfs/dbraw/zinc/85/15/70/605851570.db2.gz	MCADAAABHBCLIT-UHFFFAOYSA-N	-1	0	262.269	0.759	20	30		CCEDRM
C#CCCNS(=O)(=O)N=[S@@](C)(=O)C(C)(C)C	ZINC000872449202	613048111	/nfs/dbraw/zinc/04/81/11/613048111.db2.gz	LZEHYPCVOMZVFR-HNNXBMFYSA-N	-1	0	266.388	0.740	20	30		CCEDRM
N#C[C@@H]1CSCCN1C(=O)[C@@H]1CCCN(C(=O)[O-])C1	ZINC000833968205	605973261	/nfs/dbraw/zinc/97/32/61/605973261.db2.gz	USAQZJUUPYKAPL-NXEZZACHSA-N	-1	0	283.353	0.844	20	30		CCEDRM
N#CCN1CCC(OC(=O)CN(C(=O)[O-])C2CC2)CC1	ZINC000833967864	605984264	/nfs/dbraw/zinc/98/42/64/605984264.db2.gz	VFWGRIRRQLKLQK-UHFFFAOYSA-N	-1	0	281.312	0.660	20	30		CCEDRM
C[C@H](NC(=O)[O-])[C@H]1CN(CC2(C#N)CC2)CCO1	ZINC000833819620	606002216	/nfs/dbraw/zinc/00/22/16/606002216.db2.gz	OIBCNPWRKRMZIA-VHSXEESVSA-N	-1	0	253.302	0.647	20	30		CCEDRM
N#CCN(CC#N)C(=O)[C@@H](CC(F)F)NC(=O)[O-]	ZINC000833966361	606030139	/nfs/dbraw/zinc/03/01/39/606030139.db2.gz	DSUNCMAUEVPGMV-ZCFIWIBFSA-N	-1	0	260.200	0.154	20	30		CCEDRM
N#C[C@H]1CN(C(=O)[O-])CCN1C(=O)[C@@H]1CCCCS1	ZINC000833967479	606032126	/nfs/dbraw/zinc/03/21/26/606032126.db2.gz	RFSHKKUWELDJNN-UWVGGRQHSA-N	-1	0	283.353	0.986	20	30		CCEDRM
N#C[C@@H]1CSCCN1C(=O)c1cnc(NC(=O)[O-])cn1	ZINC000833966957	606045721	/nfs/dbraw/zinc/04/57/21/606045721.db2.gz	OVGYJDMKRSQFLU-SSDOTTSWSA-N	-1	0	293.308	0.648	20	30		CCEDRM
N#Cc1cc(C(=O)NC[C@H]2CCCN2C(=O)[O-])c[nH]1	ZINC000833970344	606089209	/nfs/dbraw/zinc/08/92/09/606089209.db2.gz	MULBMUVFTDFINB-SNVBAGLBSA-N	-1	0	262.269	0.759	20	30		CCEDRM
N#Cc1nc(NC(=O)[C@H]2C[C@@H]2C2CC2)[n-]c1-c1nn[nH]n1	ZINC000822815694	606286481	/nfs/dbraw/zinc/28/64/81/606286481.db2.gz	XMGOTPSJIBOZBB-RQJHMYQMSA-N	-1	0	284.283	0.446	20	30		CCEDRM
C#CCCS(=O)(=O)[N-]C(=O)COCc1ccccc1	ZINC000810780005	613052829	/nfs/dbraw/zinc/05/28/29/613052829.db2.gz	KDVQAWKDJKIPKK-UHFFFAOYSA-N	-1	0	281.333	0.673	20	30		CCEDRM
C#CCCS(=O)(=O)[N-]C(=O)CCc1nc(C)cs1	ZINC000810782932	613052708	/nfs/dbraw/zinc/05/27/08/613052708.db2.gz	XRMOPRAPWXFRSM-UHFFFAOYSA-N	-1	0	286.378	0.853	20	30		CCEDRM
C#CCCS(=O)(=O)[N-]C(=O)[C@](C)(C=C)CCOC	ZINC000810781429	613053336	/nfs/dbraw/zinc/05/33/36/613053336.db2.gz	BPKCMUNATJORTC-GFCCVEGCSA-N	-1	0	273.354	0.685	20	30		CCEDRM
C#CCCS(=O)(=O)[N-]C(=O)[C@H]1CCC(=O)[C@H](C)C1	ZINC000810779677	613053471	/nfs/dbraw/zinc/05/34/71/613053471.db2.gz	XCFJZSKHUMPOMJ-ZJUUUORDSA-N	-1	0	271.338	0.461	20	30		CCEDRM
C#CCCS(=O)(=O)[N-]C(=O)c1cc(C)n(C(C)C)n1	ZINC000835370999	613053509	/nfs/dbraw/zinc/05/35/09/613053509.db2.gz	CRBRHKCPANLMMP-UHFFFAOYSA-N	-1	0	283.353	0.855	20	30		CCEDRM
C#CC[N-]S(=O)(=O)c1c(F)cc(-c2nn[nH]n2)cc1F	ZINC000819701948	606884088	/nfs/dbraw/zinc/88/40/88/606884088.db2.gz	QJDWMHKDFLMITI-UHFFFAOYSA-N	-1	0	299.262	0.056	20	30		CCEDRM
C#CCN(CC(=O)[O-])S(=O)(=O)c1c(C)nn(CC)c1C	ZINC000849219240	613103553	/nfs/dbraw/zinc/10/35/53/613103553.db2.gz	NRSXTGHEEKWFBF-UHFFFAOYSA-N	-1	0	299.352	0.228	20	30		CCEDRM
CC(C)(C)OC(=O)N1CCN(CC(=O)[O-])[C@@H](C#N)C1	ZINC000817809064	613976142	/nfs/dbraw/zinc/97/61/42/613976142.db2.gz	YCTFOFZVXHXDFU-VIFPVBQESA-N	-1	0	269.301	0.516	20	30		CCEDRM
CC(C)CN(CCC#N)C(=O)CCc1nnn[n-]1	ZINC000865027545	614078747	/nfs/dbraw/zinc/07/87/47/614078747.db2.gz	URDVWYUETDZTCG-UHFFFAOYSA-N	-1	0	250.306	0.531	20	30		CCEDRM
CC(C)(CNS(=O)(=O)CCCC#N)NC(=O)[O-]	ZINC000824011504	614112853	/nfs/dbraw/zinc/11/28/53/614112853.db2.gz	QJEVDPIRUHGCLZ-UHFFFAOYSA-N	-1	0	263.319	0.256	20	30		CCEDRM
CC(C)CS(=O)(=O)N1CCN(C(=O)[O-])C[C@@H]1C#N	ZINC000824282698	614177565	/nfs/dbraw/zinc/17/75/65/614177565.db2.gz	FXHOJYGXAAZASE-VIFPVBQESA-N	-1	0	275.330	0.160	20	30		CCEDRM
CC(C)[C@H](F)C(=O)[N-]S(=O)(=O)c1cncc(C#N)c1	ZINC000813985375	614223469	/nfs/dbraw/zinc/22/34/69/614223469.db2.gz	XWRJAJPIIHWELG-JTQLQIEISA-N	-1	0	285.300	0.752	20	30		CCEDRM
CC(C)(C(=O)[N-]S(=O)(=O)CCC#N)[C@H]1CCCCO1	ZINC000870350346	614299849	/nfs/dbraw/zinc/29/98/49/614299849.db2.gz	BBBVSWODQCTDDC-SNVBAGLBSA-N	-1	0	288.369	0.941	20	30		CCEDRM
CSC[C@@H](C)C(=O)[N-]S(=O)(=O)CC1(C#N)CC1	ZINC000793205521	617247868	/nfs/dbraw/zinc/24/78/68/617247868.db2.gz	XBGAZRKSHFCIKM-MRVPVSSYSA-N	-1	0	276.383	0.735	20	30		CCEDRM
COc1ccc(NN=C2C(=O)[N-]C(=O)NC2=O)cc1Cl	ZINC000916625555	617271681	/nfs/dbraw/zinc/27/16/81/617271681.db2.gz	LOPWWAAHZFCKAO-UHFFFAOYSA-N	-1	0	296.670	0.483	20	30		CCEDRM
C[C@@H](C#N)C(=O)Nc1ccc(C(=O)NCCC(=O)[O-])cc1	ZINC000825967360	617295439	/nfs/dbraw/zinc/29/54/39/617295439.db2.gz	UILILTGSTFVZRP-VIFPVBQESA-N	-1	0	289.291	0.989	20	30		CCEDRM
C#CCC(C)(C)C(=O)[N-]S(=O)(=O)C[C@H]1CCCO1	ZINC000810664233	612965651	/nfs/dbraw/zinc/96/56/51/612965651.db2.gz	QCYLKQORONDZCV-SNVBAGLBSA-N	-1	0	273.354	0.661	20	30		CCEDRM
C#CCCCC(=O)N[C@H](C[C@H]1CCCO1)C(=O)[O-]	ZINC000910591226	612975255	/nfs/dbraw/zinc/97/52/55/612975255.db2.gz	QFDSUFGFQFECRS-GHMZBOCLSA-N	-1	0	253.298	0.928	20	30		CCEDRM
C#CCCCCC(=O)N1C[C@@H](C)O[C@@H](C(=O)[O-])C1	ZINC000909894368	612975392	/nfs/dbraw/zinc/97/53/92/612975392.db2.gz	AXLDRPDOBUDGRU-GHMZBOCLSA-N	-1	0	253.298	0.881	20	30		CCEDRM
C#CCCCCCC(=O)N[C@]1(C(=O)[O-])CCOC1	ZINC000833361901	612976390	/nfs/dbraw/zinc/97/63/90/612976390.db2.gz	RAFRWOSXJHVDTP-CYBMUJFWSA-N	-1	0	253.298	0.930	20	30		CCEDRM
C#CCCCCNC(=O)C[C@@H]1CN(C(=O)[O-])CCO1	ZINC000823441245	612977470	/nfs/dbraw/zinc/97/74/70/612977470.db2.gz	YNWDFVDBJWUJII-LLVKDONJSA-N	-1	0	268.313	0.675	20	30		CCEDRM
C#CCCCNC(=O)N1CC[C@@H](CNC(=O)[O-])C1	ZINC000823445013	612981569	/nfs/dbraw/zinc/98/15/69/612981569.db2.gz	UDYUTUXTTOMGNE-JTQLQIEISA-N	-1	0	253.302	0.699	20	30		CCEDRM
C#CCCCNC(=O)N[C@@H](COCC=C)C(=O)[O-]	ZINC000909027926	612982138	/nfs/dbraw/zinc/98/21/38/612982138.db2.gz	PXKHLAXGTLKIBY-JTQLQIEISA-N	-1	0	254.286	0.355	20	30		CCEDRM
C#CCOCCNC(=O)NCc1ccccc1C(=O)[O-]	ZINC000874399378	612987491	/nfs/dbraw/zinc/98/74/91/612987491.db2.gz	XUPGMXNAWMTHHN-UHFFFAOYSA-N	-1	0	276.292	0.834	20	30		CCEDRM
C#CCO[N-]C(=O)CN1CC[C@H](c2ccccc2)NC1=O	ZINC000855607261	612992077	/nfs/dbraw/zinc/99/20/77/612992077.db2.gz	WHCTXMSVAJJBLS-CYBMUJFWSA-N	-1	0	287.319	0.824	20	30		CCEDRM
C#CCO[N-]C(=O)[C@H]1OCCO[C@H]1C(F)(F)F	ZINC000869254382	612993236	/nfs/dbraw/zinc/99/32/36/612993236.db2.gz	OISSCWIYZZJMID-NKWVEPMBSA-N	-1	0	253.176	0.014	20	30		CCEDRM
C#CCO[N-]C(=O)[C@](C)(OC)C(=O)OC(C)(C)C	ZINC000855606773	612993259	/nfs/dbraw/zinc/99/32/59/612993259.db2.gz	OYAZKOFKAAXJSM-LBPRGKRZSA-N	-1	0	257.286	0.414	20	30		CCEDRM
C#CCO[C@@H](C)C(=O)N1CC[C@](C(=O)[O-])(C(C)C)C1	ZINC000909699261	612995595	/nfs/dbraw/zinc/99/55/95/612995595.db2.gz	QEINGJRYDXNQRG-SMDDNHRTSA-N	-1	0	267.325	0.984	20	30		CCEDRM
C#CCO[C@@H](C)C(=O)[N-]S(=O)(=O)CC1(C#N)CCC1	ZINC000835314021	612996727	/nfs/dbraw/zinc/99/67/27/612996727.db2.gz	FZXZXGMSGLKZIB-JTQLQIEISA-N	-1	0	284.337	0.165	20	30		CCEDRM
C#CCO[C@@H](C)C(=O)N[C@H](Cc1ccccc1)C(=O)[O-]	ZINC000908583640	612997318	/nfs/dbraw/zinc/99/73/18/612997318.db2.gz	SQRXYKBIULTKEO-WCQYABFASA-N	-1	0	275.304	0.837	20	30		CCEDRM
C#CCO[C@@H](C)C(=O)N[C@H](C(=O)[O-])C1CCOCC1	ZINC000910018923	612997341	/nfs/dbraw/zinc/99/73/41/612997341.db2.gz	UHQNXKIIGAYEBW-ONGXEEELSA-N	-1	0	269.297	0.021	20	30		CCEDRM
C#CCO[C@H](C)C(=O)N1CC2(CCC2)[C@](F)(C(=O)[O-])C1	ZINC000909937323	612999110	/nfs/dbraw/zinc/99/91/10/612999110.db2.gz	ZIWZJOAZKMQIJC-QMTHXVAHSA-N	-1	0	283.299	0.830	20	30		CCEDRM
C#CCO[C@H](C)C(=O)N1CC[C@]2(C(=O)[O-])CCC[C@H]12	ZINC000910398520	613000493	/nfs/dbraw/zinc/00/04/93/613000493.db2.gz	WROZVUUNWUYSTH-UHIISALHSA-N	-1	0	265.309	0.881	20	30		CCEDRM
C#CCO[C@H](C)C(=O)N1CC[C@H](C)C[C@H]1C(=O)[O-]	ZINC000909777570	613000539	/nfs/dbraw/zinc/00/05/39/613000539.db2.gz	HUZFMBXCFDSLGN-AXFHLTTASA-N	-1	0	253.298	0.736	20	30		CCEDRM
C#CCO[C@H](C)C(=O)[N-]S(=O)(=O)CC[C@@H]1CCCO1	ZINC000893710602	613002236	/nfs/dbraw/zinc/00/22/36/613002236.db2.gz	URTINUSUQGWGOH-MNOVXSKESA-N	-1	0	289.353	0.040	20	30		CCEDRM
C#CCO[C@H](C)C(=O)N[C@@H]1CCC[C@]1(C)C(=O)[O-]	ZINC000909993552	613002793	/nfs/dbraw/zinc/00/27/93/613002793.db2.gz	OFBMPNFNWXEVIX-BREBYQMCSA-N	-1	0	253.298	0.784	20	30		CCEDRM
C#CCOc1ccc(CN2CCOC[C@@H]2C(=O)[O-])cc1	ZINC000833366983	613005784	/nfs/dbraw/zinc/00/57/84/613005784.db2.gz	NRKPTHGIDBRNKZ-CQSZACIVSA-N	-1	0	275.304	0.984	20	30		CCEDRM
C#CCCN1CCN(C(=O)C[C@H](C)NC(=O)[O-])CC1	ZINC000823444641	613009345	/nfs/dbraw/zinc/00/93/45/613009345.db2.gz	OMUIADLDWDVQBE-NSHDSACASA-N	-1	0	267.329	0.200	20	30		CCEDRM
C#CC[C@@H](CO)NC(=O)c1ccccc1CCC(=O)[O-]	ZINC000911395486	613029364	/nfs/dbraw/zinc/02/93/64/613029364.db2.gz	RBYYIHUWFWSIQN-LBPRGKRZSA-N	-1	0	275.304	0.818	20	30		CCEDRM
C#CC[C@@H](NC(=O)C(C)(C)c1cccnc1)C(=O)[O-]	ZINC000910048213	613039580	/nfs/dbraw/zinc/03/95/80/613039580.db2.gz	GURITEPBTWIJLP-LLVKDONJSA-N	-1	0	260.293	0.952	20	30		CCEDRM
C#CC[C@@H](NC(=O)C[C@@H](C)n1ccnc1CC)C(=O)[O-]	ZINC000910051727	613040088	/nfs/dbraw/zinc/04/00/88/613040088.db2.gz	ZOHHEPZSNVFFRL-GHMZBOCLSA-N	-1	0	277.324	0.989	20	30		CCEDRM
C#CC[C@@H](NC(=O)[C@@H](OC)c1cccc(OC)c1)C(=O)[O-]	ZINC000910045374	613040694	/nfs/dbraw/zinc/04/06/94/613040694.db2.gz	BWIPHBJTTIPWAO-OLZOCXBDSA-N	-1	0	291.303	0.975	20	30		CCEDRM
C#CC[C@@H](NC(=O)[C@@H](O)c1cccc(OC)c1)C(=O)[O-]	ZINC000910052445	613040728	/nfs/dbraw/zinc/04/07/28/613040728.db2.gz	YAIYXZZDPYCHKN-NEPJUHHUSA-N	-1	0	277.276	0.321	20	30		CCEDRM
C#CC[C@@H](NC(=O)[C@H]1CCc2nccn2C1)C(=O)[O-]	ZINC000910048042	613041273	/nfs/dbraw/zinc/04/12/73/613041273.db2.gz	CBOSAQXZOYOLIO-VHSXEESVSA-N	-1	0	261.281	0.038	20	30		CCEDRM
C#CC[C@@H](NC(=O)c1ccc(C)nc1OC)C(=O)[O-]	ZINC000910054159	613041850	/nfs/dbraw/zinc/04/18/50/613041850.db2.gz	MSKMHZIPKGQDCF-SNVBAGLBSA-N	-1	0	262.265	0.605	20	30		CCEDRM
C#CC[C@@H](NC(=O)c1cnn(C(F)F)c1)C(=O)[O-]	ZINC000910048115	613042213	/nfs/dbraw/zinc/04/22/13/613042213.db2.gz	DTKQSYISZVAYQU-SSDOTTSWSA-N	-1	0	257.196	0.485	20	30		CCEDRM
C#CC[C@@H](NC(=O)c1nn(C)c2c1CCCC2)C(=O)[O-]	ZINC000910051419	613042525	/nfs/dbraw/zinc/04/25/25/613042525.db2.gz	UWCLGFYRUPWFCB-SNVBAGLBSA-N	-1	0	275.308	0.505	20	30		CCEDRM
C#CC[C@@H](NC(=O)c1nc(C)c(C)s1)C(=O)[O-]	ZINC000910052277	613042560	/nfs/dbraw/zinc/04/25/60/613042560.db2.gz	RUBGFMCCNLOZES-MRVPVSSYSA-N	-1	0	252.295	0.966	20	30		CCEDRM
C#CC[C@@H]1CCN(C(=O)NCC(=O)[N-]OCC)C1	ZINC000889312175	613045756	/nfs/dbraw/zinc/04/57/56/613045756.db2.gz	ZGZMLMYPFUSEHD-SNVBAGLBSA-N	-1	0	253.302	0.109	20	30		CCEDRM
C#CCCS(=O)(=O)[N-]C(=O)Cc1ccc(F)cc1F	ZINC000810782092	613053030	/nfs/dbraw/zinc/05/30/30/613053030.db2.gz	IHBDFUOZGFVHCF-UHFFFAOYSA-N	-1	0	287.287	0.977	20	30		CCEDRM
C#CCCS(=O)(=O)[N-]C(=O)[C@H](OC)[C@@H](C)CC	ZINC000810778592	613053380	/nfs/dbraw/zinc/05/33/80/613053380.db2.gz	FHGPFEDWRXUABG-VHSXEESVSA-N	-1	0	261.343	0.517	20	30		CCEDRM
C#CCCS(=O)(=O)[N-]C(=O)[C@H](C)c1c(C)noc1C	ZINC000810786735	613053431	/nfs/dbraw/zinc/05/34/31/613053431.db2.gz	UZZSHSGWWKPZPS-MRVPVSSYSA-N	-1	0	284.337	0.864	20	30		CCEDRM
C#CCCS(=O)(=O)[N-]C(=O)c1ccc2cc[nH]c2n1	ZINC000810780593	613053673	/nfs/dbraw/zinc/05/36/73/613053673.db2.gz	JKNLMFZKDBHQDE-UHFFFAOYSA-N	-1	0	277.305	0.646	20	30		CCEDRM
C#CCCS(=O)(=O)[N-]C(=O)c1cnn(C(F)F)c1	ZINC000870332678	613053755	/nfs/dbraw/zinc/05/37/55/613053755.db2.gz	YIHITGHYHMQSAV-UHFFFAOYSA-N	-1	0	277.252	0.361	20	30		CCEDRM
C#CCCS(=O)(=O)[N-]C(=O)c1nc(C)oc1C	ZINC000816056065	613053768	/nfs/dbraw/zinc/05/37/68/613053768.db2.gz	CJQXIRQTNMUEDP-UHFFFAOYSA-N	-1	0	256.283	0.374	20	30		CCEDRM
C#CCCS(=O)(=O)[N-]C(=O)c1cnn(CCOCC)c1	ZINC000857023390	613053900	/nfs/dbraw/zinc/05/39/00/613053900.db2.gz	TWIJRRQWFHWINX-UHFFFAOYSA-N	-1	0	299.352	0.003	20	30		CCEDRM
C#CCC[C@@H](O)CNC(=O)c1cccc([N+](=O)[O-])c1[O-]	ZINC000799084685	613058927	/nfs/dbraw/zinc/05/89/27/613058927.db2.gz	DUJVRQDLKMMGOK-SECBINFHSA-N	-1	0	278.264	0.805	20	30		CCEDRM
C#CC[C@H](NC(=O)Cc1cn2cc(C)sc2n1)C(=O)[O-]	ZINC000910049620	613068253	/nfs/dbraw/zinc/06/82/53/613068253.db2.gz	YONMXSYQCGTCTO-JTQLQIEISA-N	-1	0	291.332	0.839	20	30		CCEDRM
C#CC[C@H](NC(=O)[C@@H]1CCC(=O)[C@@H](C)C1)C(=O)[O-]	ZINC000910050844	613068875	/nfs/dbraw/zinc/06/88/75/613068875.db2.gz	OTLFTCITSYRTGV-AEJSXWLSSA-N	-1	0	251.282	0.584	20	30		CCEDRM
C#CC[C@H](NC(=O)[C@]1(O)CCCC(C)(C)C1)C(=O)[O-]	ZINC000910048117	613069834	/nfs/dbraw/zinc/06/98/34/613069834.db2.gz	DUWFAMKPMDCMCQ-HZMBPMFUSA-N	-1	0	267.325	0.910	20	30		CCEDRM
C#CC[C@H](NC(=O)c1ccnn1CC(F)(F)F)C(=O)[O-]	ZINC000910050668	613070342	/nfs/dbraw/zinc/07/03/42/613070342.db2.gz	NCIYGFGIKSYRKY-ZETCQYMHSA-N	-1	0	289.213	0.652	20	30		CCEDRM
C#C[C@@H](CC)NC(=O)N1CCC[C@@H](c2n[nH]c(=O)[n-]2)C1	ZINC000922525108	613083179	/nfs/dbraw/zinc/08/31/79/613083179.db2.gz	JIVOHHHOIAQHLJ-ZJUUUORDSA-N	-1	0	277.328	0.811	20	30		CCEDRM
C#CCN(CC#C)C(=O)[C@H]1CC12CCN(C(=O)[O-])CC2	ZINC000833787712	613098869	/nfs/dbraw/zinc/09/88/69/613098869.db2.gz	YOEXKIAFJZRSAG-GFCCVEGCSA-N	-1	0	274.320	0.862	20	30		CCEDRM
C#C[C@@H](NC(=O)c1csc(C(=O)[O-])n1)C1CCOCC1	ZINC000911793580	613099403	/nfs/dbraw/zinc/09/94/03/613099403.db2.gz	WJRWSXWTRUFYJH-SECBINFHSA-N	-1	0	294.332	1.000	20	30		CCEDRM
C#CCN(CC#CC)C(=O)C[N@@H+]1CCC[C@H](C(=O)[O-])C1	ZINC000908809240	613099444	/nfs/dbraw/zinc/09/94/44/613099444.db2.gz	KKIYGXBDTPQTDY-ZDUSSCGKSA-N	-1	0	276.336	0.268	20	30		CCEDRM
C#CCN(CC(=O)[O-])S(=O)(=O)c1cccc2c1OCO2	ZINC000849219490	613103919	/nfs/dbraw/zinc/10/39/19/613103919.db2.gz	YNSJRKAIPSXHJN-UHFFFAOYSA-N	-1	0	297.288	0.124	20	30		CCEDRM
C#C[C@H](NC(=O)N1CC[C@H](C)[C@@H](C(=O)[O-])C1)[C@H]1CCCO1	ZINC000831038144	613137394	/nfs/dbraw/zinc/13/73/94/613137394.db2.gz	FDEVHVVQJYLVBD-ZDEQEGDKSA-N	-1	0	294.351	0.919	20	30		CCEDRM
C#C[C@H](NC(=O)NC[C@H](C(=O)[O-])C1CCC1)[C@H]1CCCO1	ZINC000854233805	613140918	/nfs/dbraw/zinc/14/09/18/613140918.db2.gz	MHMHRSSNUKTYEV-RWMBFGLXSA-N	-1	0	294.351	0.967	20	30		CCEDRM
C#C[C@H]1CCCCN1S(=O)(=O)c1c[nH]c(C(=O)[O-])c1	ZINC000907126106	613155916	/nfs/dbraw/zinc/15/59/16/613155916.db2.gz	BQSQPHOTEVYYIN-VIFPVBQESA-N	-1	0	282.321	0.889	20	30		CCEDRM
C#C[C@H]1COCCN1C(=O)NC[C@@H](C(=O)[O-])C(C)C	ZINC000848592760	613160598	/nfs/dbraw/zinc/16/05/98/613160598.db2.gz	ZXSLCWIEPLWDRF-WDEREUQCSA-N	-1	0	268.313	0.387	20	30		CCEDRM
C#Cc1ccc(C(=O)N2CC[C@@](C)(C(=O)[O-])C2)nc1	ZINC000825636987	613173510	/nfs/dbraw/zinc/17/35/10/613173510.db2.gz	ZFBRPLBNPDROBM-CQSZACIVSA-N	-1	0	258.277	1.000	20	30		CCEDRM
C#CCN1CCN(C(=O)C2(C(=O)[O-])CCCC2)CC1	ZINC000911150200	613204237	/nfs/dbraw/zinc/20/42/37/613204237.db2.gz	HAKXYPWLOVHTST-UHFFFAOYSA-N	-1	0	264.325	0.409	20	30		CCEDRM
C=C(Br)COC(=O)COC1CN(C(=O)[O-])C1	ZINC000823473084	613239142	/nfs/dbraw/zinc/23/91/42/613239142.db2.gz	ANSJOMYTBCUDQY-UHFFFAOYSA-N	-1	0	294.101	0.817	20	30		CCEDRM
C=C(C)C(C)(C)C(=O)[N-]S(=O)(=O)[C@H](C)C(=O)OC	ZINC000820606897	613244635	/nfs/dbraw/zinc/24/46/35/613244635.db2.gz	XOTQJAWKHIUMAA-MRVPVSSYSA-N	-1	0	277.342	0.596	20	30		CCEDRM
C/C(=C\COC(=O)C1(C#N)CCOCC1)C(=O)[O-]	ZINC000825754339	613262201	/nfs/dbraw/zinc/26/22/01/613262201.db2.gz	XSWIFZJZHLWHGL-XNWCZRBMSA-N	-1	0	253.254	0.881	20	30		CCEDRM
C=C(C)COCCNC(=O)N(C)[C@@H](C)CNC(=O)[O-]	ZINC000823480436	613351984	/nfs/dbraw/zinc/35/19/84/613351984.db2.gz	CEVGXXUKKZHJIV-JTQLQIEISA-N	-1	0	273.333	0.877	20	30		CCEDRM
C=C(C)CO[N-]C(=O)C(=O)Nc1ncn(C(C)(C)C)n1	ZINC000846145753	613352338	/nfs/dbraw/zinc/35/23/38/613352338.db2.gz	HKNSSAIRSLZGLN-UHFFFAOYSA-N	-1	0	281.316	0.596	20	30		CCEDRM
C=C(C)CO[N-]C(=O)C(=O)Nc1cnn(C)c1C	ZINC000846147321	613352382	/nfs/dbraw/zinc/35/23/82/613352382.db2.gz	UWIIEXOFCFCNDI-UHFFFAOYSA-N	-1	0	252.274	0.291	20	30		CCEDRM
C=C(C)CO[N-]C(=O)CC(=O)NCC(F)(F)F	ZINC000846535450	613352485	/nfs/dbraw/zinc/35/24/85/613352485.db2.gz	ADGKGQQAUCQSQE-UHFFFAOYSA-N	-1	0	254.208	0.679	20	30		CCEDRM
C=C(C)CO[N-]C(=O)[C@@H]1[C@H]2CC[C@]3(COC(=O)[C@H]13)O2	ZINC000862133263	613353766	/nfs/dbraw/zinc/35/37/66/613353766.db2.gz	WBIKCSHJUILHFW-ORXSELOVSA-N	-1	0	267.281	0.331	20	30		CCEDRM
C=C(C)CO[N-]C(=O)[C@@H](NC(=O)COC)C(C)C	ZINC000846536800	613353865	/nfs/dbraw/zinc/35/38/65/613353865.db2.gz	AQVLRDXYWJXBSY-NSHDSACASA-N	-1	0	258.318	0.398	20	30		CCEDRM
C=C(C)C[C@@H](NS(=O)(=O)[C@@H]1CCOC1)C(=O)OCC	ZINC000882644968	613356863	/nfs/dbraw/zinc/35/68/63/613356863.db2.gz	UBDYREHCQJNDDV-GHMZBOCLSA-N	-1	0	291.369	0.593	20	30		CCEDRM
C=C(C)[C@H](CC(=O)N1CCNC(=O)[C@H]1CC(=O)[O-])OCC	ZINC000833366769	613362193	/nfs/dbraw/zinc/36/21/93/613362193.db2.gz	CVIGUWAAFPJOFR-MNOVXSKESA-N	-1	0	298.339	0.159	20	30		CCEDRM
C=C(COC(=O)c1cnc(C(=O)[O-])cn1)C(=O)OCC	ZINC000833370965	613367474	/nfs/dbraw/zinc/36/74/74/613367474.db2.gz	SYVSNDOBBVUAKP-UHFFFAOYSA-N	-1	0	280.236	0.451	20	30		CCEDRM
C=C(Cl)C[C@@H](NC(=O)c1cnc2n1CCOC2)C(=O)[O-]	ZINC000910272848	613388700	/nfs/dbraw/zinc/38/87/00/613388700.db2.gz	XBZVNRVNTYLNHU-MRVPVSSYSA-N	-1	0	299.714	0.739	20	30		CCEDRM
C=C(Cl)C[C@@H](NS(=O)(=O)N(CC)CC)C(=O)[O-]	ZINC000863421298	613388703	/nfs/dbraw/zinc/38/87/03/613388703.db2.gz	QLXYZXYOSSMYBN-MRVPVSSYSA-N	-1	0	284.765	0.758	20	30		CCEDRM
C=C(Cl)C[C@H](NC(=O)CCC(=O)NCC)C(=O)[O-]	ZINC000864182601	613390600	/nfs/dbraw/zinc/39/06/00/613390600.db2.gz	BDCZEYFDUFAUTN-QMMMGPOBSA-N	-1	0	276.720	0.615	20	30		CCEDRM
C=C(Cl)C[C@H](NC(=O)COCCCOC)C(=O)[O-]	ZINC000910270047	613390621	/nfs/dbraw/zinc/39/06/21/613390621.db2.gz	GRXBLAJOLMDQOF-VIFPVBQESA-N	-1	0	279.720	0.752	20	30		CCEDRM
C=CCS(=O)(=O)[N-]C(=O)c1ocnc1C1CC1	ZINC000808995144	613394887	/nfs/dbraw/zinc/39/48/87/613394887.db2.gz	LFHPNBRUEMHPMD-UHFFFAOYSA-N	-1	0	256.283	0.798	20	30		CCEDRM
C=CC[C@@H](C(=O)OC)N1CCC(c2n[nH]c(=O)[n-]2)CC1	ZINC000878538756	613396670	/nfs/dbraw/zinc/39/66/70/613396670.db2.gz	GYMGFXOYSYJLNT-JTQLQIEISA-N	-1	0	280.328	0.807	20	30		CCEDRM
C=C1CCC(C(=O)N[C@H](C)C(=O)N[C@@H](C)C(=O)[O-])CC1	ZINC000910743998	613411319	/nfs/dbraw/zinc/41/13/19/613411319.db2.gz	SQIDUQHDCGTPFI-ZJUUUORDSA-N	-1	0	282.340	0.827	20	30		CCEDRM
C=CC[C@H](CC)NC(=O)CCCn1c(=O)[n-][nH]c1=O	ZINC000907964075	613414780	/nfs/dbraw/zinc/41/47/80/613414780.db2.gz	ZPMNZCIOUFKYHU-VIFPVBQESA-N	-1	0	268.317	0.940	20	30		CCEDRM
C=CC[C@H](CO)CNS(=O)(=O)c1ccc(C(=O)[O-])o1	ZINC000833370109	613416122	/nfs/dbraw/zinc/41/61/22/613416122.db2.gz	IDXASHDPUHIFRR-QMMMGPOBSA-N	-1	0	289.309	0.441	20	30		CCEDRM
C=CCn1cc(C(=O)[N-]S(=O)(=O)C2(CC)CC2)nn1	ZINC000842810024	613429294	/nfs/dbraw/zinc/42/92/94/613429294.db2.gz	PMZMUSLXWUARFM-UHFFFAOYSA-N	-1	0	284.341	0.466	20	30		CCEDRM
C=CCn1nnn(CN2CC[C@](F)(C(=O)[O-])C2)c1=S	ZINC000825710924	613440073	/nfs/dbraw/zinc/44/00/73/613440073.db2.gz	HKQJDLDTHRLHKH-SNVBAGLBSA-N	-1	0	287.320	0.451	20	30		CCEDRM
C=C[C@@H](C)NS(=O)(=O)c1ccc(-c2nn[nH]n2)nc1	ZINC000819729840	613442887	/nfs/dbraw/zinc/44/28/87/613442887.db2.gz	NLHATTMGCRKHFM-SSDOTTSWSA-N	-1	0	280.313	0.115	20	30		CCEDRM
C=C[C@@H](C)O[N-]C(=O)COCc1nc(CC)no1	ZINC000824033711	613443540	/nfs/dbraw/zinc/44/35/40/613443540.db2.gz	SDUYCXCBNUPZQB-MRVPVSSYSA-N	-1	0	255.274	0.771	20	30		CCEDRM
C=C[C@@H](C)O[N-]C(=O)[C@@H](NC(=O)COC)C(C)C	ZINC000846548551	613447081	/nfs/dbraw/zinc/44/70/81/613447081.db2.gz	UCTMSHKTQRKCGW-KOLCDFICSA-N	-1	0	258.318	0.396	20	30		CCEDRM
C=CC1(S(=O)(=O)[N-]C(=O)/C=C/c2ccncn2)CC1	ZINC000870835567	613449772	/nfs/dbraw/zinc/44/97/72/613449772.db2.gz	FBLOEYJYJSZKCE-ONEGZZNKSA-N	-1	0	279.321	0.654	20	30		CCEDRM
C=C[C@@H](O)C(=O)N1CCC(C(=O)[O-])(C(F)(F)F)CC1	ZINC000911019608	613449910	/nfs/dbraw/zinc/44/99/10/613449910.db2.gz	JKRYNMFODQJCDN-SSDOTTSWSA-N	-1	0	281.230	0.789	20	30		CCEDRM
C=CC1(S(=O)(=O)[N-]C(=O)CC[C@H]2CCOC2)CC1	ZINC000870834259	613450392	/nfs/dbraw/zinc/45/03/92/613450392.db2.gz	TVNCDJNXKPLILL-JTQLQIEISA-N	-1	0	273.354	0.968	20	30		CCEDRM
C=CC1(S(=O)(=O)[N-]C(=O)Cc2ccc(C#N)nc2)CC1	ZINC000870838970	613450761	/nfs/dbraw/zinc/45/07/61/613450761.db2.gz	ATAHOVXIYHYFMU-UHFFFAOYSA-N	-1	0	291.332	0.660	20	30		CCEDRM
C=CC1(S(=O)(=O)[N-]C(=O)[C@@H](OC)[C@@H]2CCOC2)CC1	ZINC000870838651	613451265	/nfs/dbraw/zinc/45/12/65/613451265.db2.gz	IXKPTDDBXVKMCY-ZJUUUORDSA-N	-1	0	289.353	0.203	20	30		CCEDRM
C=C[C@@H](O)C(=O)N[C@@H](C)c1ccc(OCC(=O)[O-])cc1	ZINC000909788202	613452172	/nfs/dbraw/zinc/45/21/72/613452172.db2.gz	GNCNUFMHFPNFHE-JOYOIKCWSA-N	-1	0	279.292	0.874	20	30		CCEDRM
C=CCC1(S(=O)(=O)[N-]C(=O)/C=C/c2cnn(C)c2)CC1	ZINC000810987008	613460510	/nfs/dbraw/zinc/46/05/10/613460510.db2.gz	VFEWYHGVWYWXGZ-SNAWJCMRSA-N	-1	0	295.364	0.988	20	30		CCEDRM
C=C[C@@H]1OCCC[C@H]1[N-]S(=O)(=O)N=[S@](C)(=O)CC	ZINC000867356850	613461422	/nfs/dbraw/zinc/46/14/22/613461422.db2.gz	XBJGKOXLEZFUSC-GPHJXTMHSA-N	-1	0	296.414	0.672	20	30		CCEDRM
C=CCCCS(=O)(=O)N1C[C@@H](OC)C[C@H]1C(=O)[O-]	ZINC000926592089	613469384	/nfs/dbraw/zinc/46/93/84/613469384.db2.gz	RKLLPGJBBIJLEM-UWVGGRQHSA-N	-1	0	277.342	0.456	20	30		CCEDRM
C=CCCCS(=O)(=O)N[C@@H]1CCOC[C@@H]1CC(=O)[O-]	ZINC000899950006	613469652	/nfs/dbraw/zinc/46/96/52/613469652.db2.gz	MFQBFDWMYPYICZ-WDEREUQCSA-N	-1	0	291.369	0.752	20	30		CCEDRM
C=CCCC[C@@H](NS(=O)(=O)C[C@@H]1CCOC1)C(=O)[O-]	ZINC000903058314	613471569	/nfs/dbraw/zinc/47/15/69/613471569.db2.gz	FVLGOQPBWXMBOK-GHMZBOCLSA-N	-1	0	291.369	0.752	20	30		CCEDRM
C=CCCC[C@H](NC(=O)CCC(=O)NCC)C(=O)[O-]	ZINC000910915328	613473275	/nfs/dbraw/zinc/47/32/75/613473275.db2.gz	XMXOUNBNWRDOFP-JTQLQIEISA-N	-1	0	270.329	0.828	20	30		CCEDRM
C=CCCC[C@H](NC(=O)c1ncn(C)n1)C(=O)[O-]	ZINC000910917603	613474862	/nfs/dbraw/zinc/47/48/62/613474862.db2.gz	RVXVYSAVIARXTE-QMMMGPOBSA-N	-1	0	252.274	0.354	20	30		CCEDRM
C=C[C@@](C)(O)C(=O)N1CC2(CCC2)[C@](F)(C(=O)[O-])C1	ZINC000909937053	613477469	/nfs/dbraw/zinc/47/74/69/613477469.db2.gz	AIPWPVIXOUKTAA-DGCLKSJQSA-N	-1	0	271.288	0.729	20	30		CCEDRM
C=C[C@H](C)O[N-]C(=O)C(F)(F)C(=O)N1CCOCC1	ZINC000844780334	613483686	/nfs/dbraw/zinc/48/36/86/613483686.db2.gz	OVMYMHQFJMOSJL-QMMMGPOBSA-N	-1	0	278.255	0.103	20	30		CCEDRM
C=C[C@H](C)O[N-]C(=O)C(=O)Nc1cc(C)nnc1N(C)C	ZINC000850475738	613483749	/nfs/dbraw/zinc/48/37/49/613483749.db2.gz	DDEAPAJSNCPYLG-VIFPVBQESA-N	-1	0	293.327	0.412	20	30		CCEDRM
C=C[C@H](C)O[N-]C(=O)C(=O)Nc1cncc(OC)n1	ZINC000846155369	613483782	/nfs/dbraw/zinc/48/37/82/613483782.db2.gz	GGYYCBJSMILBLK-ZETCQYMHSA-N	-1	0	266.257	0.046	20	30		CCEDRM
C=C[C@H](C)O[N-]C(=O)CSc1nnnn1C1CC1	ZINC000846544371	613484188	/nfs/dbraw/zinc/48/41/88/613484188.db2.gz	QLYMTRXYDZYBCB-ZETCQYMHSA-N	-1	0	269.330	0.722	20	30		CCEDRM
C=C[C@H](C)O[N-]C(=O)CN1C(=O)[C@@H]2CC=CC[C@@H]2C1=O	ZINC000846552363	613484236	/nfs/dbraw/zinc/48/42/36/613484236.db2.gz	GGBMEBBRDKHJJS-GARJFASQSA-N	-1	0	278.308	0.560	20	30		CCEDRM
C=C[C@H](C)O[N-]C(=O)[C@H]1COCCN1CC(F)(F)F	ZINC000846553231	613488272	/nfs/dbraw/zinc/48/82/72/613488272.db2.gz	ZVQMBAVDILMLHN-DTWKUNHWSA-N	-1	0	282.262	0.872	20	30		CCEDRM
C=C[C@H](O)C(=O)N1CCC(n2cc(C(=O)[O-])cn2)CC1	ZINC000909833517	613494161	/nfs/dbraw/zinc/49/41/61/613494161.db2.gz	NWMMBAWZKFKBIO-NSHDSACASA-N	-1	0	279.296	0.292	20	30		CCEDRM
C=C[C@H](O)C(=O)N[C@H](C(=O)[O-])[C@H]1CCC[C@H](OC)C1	ZINC000909911968	613497405	/nfs/dbraw/zinc/49/74/05/613497405.db2.gz	FOOCWYUWTGNVAH-NAKRPEOUSA-N	-1	0	271.313	0.308	20	30		CCEDRM
C=C[C@](C)(CCOC)C(=O)N1CC[C@@](O)(C(=O)[O-])C1	ZINC000910526477	613505753	/nfs/dbraw/zinc/50/57/53/613505753.db2.gz	GULTXSMHHUGJJY-OLZOCXBDSA-N	-1	0	271.313	0.263	20	30		CCEDRM
C=C[C@](C)(CCOC)C(=O)N1CCO[C@H](CC(=O)[O-])C1	ZINC000909270869	613505760	/nfs/dbraw/zinc/50/57/60/613505760.db2.gz	ZINYWJLQFNUCCL-BXUZGUMPSA-N	-1	0	285.340	0.917	20	30		CCEDRM
CC#CCCNC(=O)N1CC[C@H](OC)C[C@H]1C(=O)[O-]	ZINC000909032544	613522223	/nfs/dbraw/zinc/52/22/23/613522223.db2.gz	XCVNRSJSMIMXGJ-QWRGUYRKSA-N	-1	0	268.313	0.673	20	30		CCEDRM
CC#CCCNC(=O)N[C@@H](C(=O)[O-])[C@H]1CCCOC1	ZINC000909031440	613522305	/nfs/dbraw/zinc/52/23/05/613522305.db2.gz	IUFGWTSWQHAHQY-WDEREUQCSA-N	-1	0	268.313	0.579	20	30		CCEDRM
CC#CCN(C)S(=O)(=O)c1cc(C(=O)[O-])n(C)c1	ZINC000906994657	613524714	/nfs/dbraw/zinc/52/47/14/613524714.db2.gz	GCGIHZWFFOGAHB-UHFFFAOYSA-N	-1	0	270.310	0.367	20	30		CCEDRM
C=CCCNC(=O)c1cccn(CC(=O)[O-])c1=O	ZINC000902050643	613569894	/nfs/dbraw/zinc/56/98/94/613569894.db2.gz	BSNWHJNUGDCGTK-UHFFFAOYSA-N	-1	0	250.254	0.239	20	30		CCEDRM
C=CCCO[N-]C(=O)[C@@H](NC(=O)COC)C(C)C	ZINC000856032477	613576638	/nfs/dbraw/zinc/57/66/38/613576638.db2.gz	OTKPFKHSLRICKJ-NSHDSACASA-N	-1	0	258.318	0.398	20	30		CCEDRM
C=CCCO[C@@H](C)C(=O)N1C[C@@H](F)C[C@H]1C(=O)[O-]	ZINC000910443177	613578179	/nfs/dbraw/zinc/57/81/79/613578179.db2.gz	DMUHPHPFKXZDDK-GUBZILKMSA-N	-1	0	259.277	0.991	20	30		CCEDRM
C=CCCS(=O)(=O)N1CCN(C(=O)[O-])C[C@H]1C	ZINC000823500937	613580627	/nfs/dbraw/zinc/58/06/27/613580627.db2.gz	NOMVTWYVUOHTRI-SECBINFHSA-N	-1	0	262.331	0.576	20	30		CCEDRM
C=CCCS(=O)(=O)N[C@@H](C(=O)[O-])c1cccnc1	ZINC000871996291	613581705	/nfs/dbraw/zinc/58/17/05/613581705.db2.gz	PHBNJKXOBSTVBI-SNVBAGLBSA-N	-1	0	270.310	0.703	20	30		CCEDRM
C=CCC[C@H](NC(=O)Cc1cncc(O)c1)C(=O)[O-]	ZINC000909714135	613589390	/nfs/dbraw/zinc/58/93/90/613589390.db2.gz	UCUQWRAXHACHSE-NSHDSACASA-N	-1	0	264.281	0.865	20	30		CCEDRM
C=CCCn1cc(C(=O)[N-]S(=O)(=O)C2CCCC2)nn1	ZINC000820230806	613594864	/nfs/dbraw/zinc/59/48/64/613594864.db2.gz	BPOQXUKYQPQAOB-UHFFFAOYSA-N	-1	0	298.368	0.856	20	30		CCEDRM
C=CCN(C(=O)C(=O)NCC1(C(=O)[O-])CCC1)C(C)C	ZINC000851686843	613602634	/nfs/dbraw/zinc/60/26/34/613602634.db2.gz	IAYNKWOXMUITGO-UHFFFAOYSA-N	-1	0	282.340	0.781	20	30		CCEDRM
C=CCN(C(=O)CCCC(=O)[O-])[C@H]1CCS(=O)(=O)C1	ZINC000833374879	613604475	/nfs/dbraw/zinc/60/44/75/613604475.db2.gz	LCZRVUHKAGICKK-JTQLQIEISA-N	-1	0	289.353	0.443	20	30		CCEDRM
C=CCN(CC(=O)[O-])C(=O)CCc1nc(N(C)C)no1	ZINC000909516680	613641967	/nfs/dbraw/zinc/64/19/67/613641967.db2.gz	NAOPJFROZPEWQH-UHFFFAOYSA-N	-1	0	282.300	0.167	20	30		CCEDRM
C=CCN(CC(=O)[O-])C(=O)[C@@H]1CCCc2n[nH]cc21	ZINC000909515628	613643243	/nfs/dbraw/zinc/64/32/43/613643243.db2.gz	DVCWOHCFNKLVCN-SECBINFHSA-N	-1	0	263.297	0.929	20	30		CCEDRM
CC#CCOC(=O)CN(C[C@H]1CCCO1)C(=O)[O-]	ZINC000823521864	613645168	/nfs/dbraw/zinc/64/51/68/613645168.db2.gz	LCSOOBHHMPJRHA-SNVBAGLBSA-N	-1	0	255.270	0.712	20	30		CCEDRM
CC#CCS(=O)(=O)[N-]C(=O)CN(C)c1ccccc1	ZINC000810777545	613645904	/nfs/dbraw/zinc/64/59/04/613645904.db2.gz	FEPKTGZAGPUEJP-UHFFFAOYSA-N	-1	0	280.349	0.592	20	30		CCEDRM
CC#CCS(=O)(=O)[N-]C(=O)Cn1cc(Cl)cn1	ZINC000810776727	613646130	/nfs/dbraw/zinc/64/61/30/613646130.db2.gz	FUCRAGICMDTUIT-UHFFFAOYSA-N	-1	0	275.717	0.006	20	30		CCEDRM
CC#CCS(=O)(=O)[N-]C(=O)C[C@H](C)[C@H]1CCCO1	ZINC000851000751	613646142	/nfs/dbraw/zinc/64/61/42/613646142.db2.gz	YYXDKCHGLAYRBO-WDEREUQCSA-N	-1	0	273.354	0.661	20	30		CCEDRM
CC#CCS(=O)(=O)[N-]C(=O)Cc1ccccc1OC	ZINC000791111128	613646157	/nfs/dbraw/zinc/64/61/57/613646157.db2.gz	NYDBIXSIYBGKOS-UHFFFAOYSA-N	-1	0	281.333	0.707	20	30		CCEDRM
CC#CCS(=O)(=O)[N-]C(=O)Cc1ccc2c(c1)COC2	ZINC000810773124	613646159	/nfs/dbraw/zinc/64/61/59/613646159.db2.gz	SLSNZJQDCCFNHV-UHFFFAOYSA-N	-1	0	293.344	0.729	20	30		CCEDRM
CC#CCS(=O)(=O)[N-]C(=O)[C@@H](Cc1ccccc1)OC	ZINC000835372088	613646728	/nfs/dbraw/zinc/64/67/28/613646728.db2.gz	PWTXVGYYCAIBCW-CYBMUJFWSA-N	-1	0	295.360	0.713	20	30		CCEDRM
CC#CCS(=O)(=O)[N-]C(=O)[C@@H]1C[C@@H]1[C@H]1C[C@@H]1C	ZINC000870332662	613646808	/nfs/dbraw/zinc/64/68/08/613646808.db2.gz	XWAIJMIGPPDQHC-UKKRHICBSA-N	-1	0	255.339	0.748	20	30		CCEDRM
C=CCN(CC=C)C(=O)CN1CC[C@](F)(C(=O)[O-])C1	ZINC000825681629	613646897	/nfs/dbraw/zinc/64/68/97/613646897.db2.gz	DYJSMXWICWZWOI-CYBMUJFWSA-N	-1	0	270.304	0.686	20	30		CCEDRM
CC#CCS(=O)(=O)[N-]C(=O)c1ccc2nccnc2c1	ZINC000810776768	613647802	/nfs/dbraw/zinc/64/78/02/613647802.db2.gz	HTCZSEHBCRELBL-UHFFFAOYSA-N	-1	0	289.316	0.713	20	30		CCEDRM
Cc1nc(-c2nnn[n-]2)c(N=NC(C)c2nccn2C)o1	ZINC000823962892	613657745	/nfs/dbraw/zinc/65/77/45/613657745.db2.gz	QMNQYRJOJPDDTR-UHFFFAOYSA-N	-1	0	287.287	0.733	20	30		CCEDRM
CC(=O)CCC(=O)[N-]S(=O)(=O)Cc1ccccc1C#N	ZINC000800382097	613669100	/nfs/dbraw/zinc/66/91/00/613669100.db2.gz	AFEFCIVRNILZLF-UHFFFAOYSA-N	-1	0	294.332	0.873	20	30		CCEDRM
C=CCNC(=O)C(C#N)=C([O-])c1cncc(N2CCCC2)n1	ZINC000870141221	613852929	/nfs/dbraw/zinc/85/29/29/613852929.db2.gz	UPFRDRPIJDFTNC-NSHDSACASA-N	-1	0	299.334	0.701	20	30		CCEDRM
C=CCNC(=O)C(C#N)=C([O-])c1cn(CC=C)nn1	ZINC000842685625	613852943	/nfs/dbraw/zinc/85/29/43/613852943.db2.gz	GAMVKYDUDHGLMI-VIFPVBQESA-N	-1	0	259.269	0.089	20	30		CCEDRM
C=CCNC(=O)C(C#N)=C([O-])c1csc(NC(C)=O)n1	ZINC000916918889	613854920	/nfs/dbraw/zinc/85/49/20/613854920.db2.gz	XDSJQYMAYHKION-MRVPVSSYSA-N	-1	0	292.320	0.726	20	30		CCEDRM
C=CCNC(=O)[C@H](C)OC(=O)[C@@H]1CCCCN1C(=O)[O-]	ZINC000823507443	613855687	/nfs/dbraw/zinc/85/56/87/613855687.db2.gz	XVTZHPUCJBILJO-UWVGGRQHSA-N	-1	0	284.312	0.753	20	30		CCEDRM
C=CCOCCCC(=O)N1C[C@H](O)C[C@H]1C(=O)[O-]	ZINC000833375734	613879732	/nfs/dbraw/zinc/87/97/32/613879732.db2.gz	KCTWSTSHILOUCX-ZJUUUORDSA-N	-1	0	257.286	0.016	20	30		CCEDRM
C=CCOCC(=O)NCCc1ncc(C(=O)[O-])s1	ZINC000911000499	613879317	/nfs/dbraw/zinc/87/93/17/613879317.db2.gz	MLYFIQKPIHOJIA-UHFFFAOYSA-N	-1	0	270.310	0.703	20	30		CCEDRM
C=CCOCC(=O)[N-]S(=O)(=O)C[C@@H]1CCCOC1	ZINC000803004423	613879456	/nfs/dbraw/zinc/87/94/56/613879456.db2.gz	GKQKJKGYIYRQQT-SNVBAGLBSA-N	-1	0	277.342	0.062	20	30		CCEDRM
C=CCOCCNS(=O)(=O)CC1(CC(=O)[O-])CC1	ZINC000833377697	613881110	/nfs/dbraw/zinc/88/11/10/613881110.db2.gz	JKEYGDRHAFTRLP-UHFFFAOYSA-N	-1	0	277.342	0.363	20	30		CCEDRM
C=CCOC[C@@H](NC(=O)C1(n2cccn2)CC1)C(=O)[O-]	ZINC000907669816	613881550	/nfs/dbraw/zinc/88/15/50/613881550.db2.gz	STCPDVLFGLWLGT-SNVBAGLBSA-N	-1	0	279.296	0.144	20	30		CCEDRM
C=CCOC[C@@H](NC(=O)Cc1ccc(OC)cn1)C(=O)[O-]	ZINC000909770348	613881639	/nfs/dbraw/zinc/88/16/39/613881639.db2.gz	FQNWYEMQADOORL-GFCCVEGCSA-N	-1	0	294.307	0.405	20	30		CCEDRM
C=CCOC[C@@H](NC(=O)N[C@@H]1C[C@H]2C[C@H]2C1)C(=O)[O-]	ZINC000909171449	613881835	/nfs/dbraw/zinc/88/18/35/613881835.db2.gz	OQABEOKJSOWDRO-LMLFDSFASA-N	-1	0	268.313	0.740	20	30		CCEDRM
C=CCOC[C@@H](NC(=O)c1cccc(CO)c1)C(=O)[O-]	ZINC000909769119	613881867	/nfs/dbraw/zinc/88/18/67/613881867.db2.gz	ANLNDVHYZSYDQW-GFCCVEGCSA-N	-1	0	279.292	0.565	20	30		CCEDRM
C=CCOC[C@H](NC(=O)C1(C2CC2)CC1)C(=O)[O-]	ZINC000909766341	613882198	/nfs/dbraw/zinc/88/21/98/613882198.db2.gz	HCVSNEWNSSGGAE-JTQLQIEISA-N	-1	0	253.298	0.949	20	30		CCEDRM
C=CCOC[C@H](NC(=O)C(C)(C)n1cnc(C)c1)C(=O)[O-]	ZINC000909770961	613882279	/nfs/dbraw/zinc/88/22/79/613882279.db2.gz	JWBHCHNXYURXBM-NSHDSACASA-N	-1	0	295.339	0.699	20	30		CCEDRM
C=CCOC[C@H](NC(=O)[C@H]1CCC(=O)[C@H](C)C1)C(=O)[O-]	ZINC000909771287	613882554	/nfs/dbraw/zinc/88/25/54/613882554.db2.gz	MCRRKBQGPNKKDN-VWYCJHECSA-N	-1	0	283.324	0.764	20	30		CCEDRM
C=CCOC[C@H](NC(=O)[C@H](CCC)OC)C(=O)[O-]	ZINC000909772525	613882587	/nfs/dbraw/zinc/88/25/87/613882587.db2.gz	RGCPTMQPTWCFCH-UWVGGRQHSA-N	-1	0	259.302	0.574	20	30		CCEDRM
C=CCOC[C@H](NC(=O)c1cn2c(n1)CCCC2)C(=O)[O-]	ZINC000909767071	613882635	/nfs/dbraw/zinc/88/26/35/613882635.db2.gz	LHBODBBJWNWYDZ-NSHDSACASA-N	-1	0	293.323	0.605	20	30		CCEDRM
C=CCOC[C@H](NC(=O)[C@H]1CSCCS1)C(=O)[O-]	ZINC000909770724	613882667	/nfs/dbraw/zinc/88/26/67/613882667.db2.gz	KJRBMSSVELGGIC-DTWKUNHWSA-N	-1	0	291.394	0.607	20	30		CCEDRM
C=CCOC[C@H](NCc1cnc(OC)s1)C(=O)[O-]	ZINC000901812003	613882824	/nfs/dbraw/zinc/88/28/24/613882824.db2.gz	YKUWSVVTUDJMJE-VIFPVBQESA-N	-1	0	272.326	0.897	20	30		CCEDRM
C=CCO[N-]C(=O)C(=O)Nc1ccc2c(c1)N(C)CCO2	ZINC000835971475	613883018	/nfs/dbraw/zinc/88/30/18/613883018.db2.gz	KKXBUHDJKRETFG-UHFFFAOYSA-N	-1	0	291.307	0.688	20	30		CCEDRM
C=CCONC(=O)N1CC[C@@](COC)(C(=O)[O-])C1	ZINC000874403505	613883681	/nfs/dbraw/zinc/88/36/81/613883681.db2.gz	UUJLDIFUDUMFKO-LLVKDONJSA-N	-1	0	258.274	0.237	20	30		CCEDRM
C=CCS(=O)(=O)[N-]C(=O)C[C@H]1CCOC[C@H]1OCC	ZINC000870256579	613886130	/nfs/dbraw/zinc/88/61/30/613886130.db2.gz	JGRQXJPQUNJARC-GHMZBOCLSA-N	-1	0	291.369	0.450	20	30		CCEDRM
C=CCS(=O)(=O)[N-]C(=O)c1cc(C#N)oc1C	ZINC000797955515	613886333	/nfs/dbraw/zinc/88/63/33/613886333.db2.gz	RPXDGEZXAQXTSS-UHFFFAOYSA-N	-1	0	254.267	0.705	20	30		CCEDRM
C=CCS(=O)(=O)[N-]C(=O)c1cn2c(n1)C[C@H](C)CC2	ZINC000870258997	613886366	/nfs/dbraw/zinc/88/63/66/613886366.db2.gz	LVJVLZGBGYLISE-SECBINFHSA-N	-1	0	283.353	0.711	20	30		CCEDRM
CC(C)NC(=O)C(C#N)=C([O-])c1ccc(C(N)=O)s1	ZINC000728147989	613930876	/nfs/dbraw/zinc/93/08/76/613930876.db2.gz	RBZVSKKRMFGSNC-ZETCQYMHSA-N	-1	0	279.321	0.694	20	30		CCEDRM
CC(C)(C)OC(=O)[C@@H](C(=O)N[C@@H]1CCN(O)C1=O)C1CC1	ZINC000820133287	613999556	/nfs/dbraw/zinc/99/95/56/613999556.db2.gz	WVHMNPJLVSFQIX-NXEZZACHSA-N	-1	0	298.339	0.461	20	30		CCEDRM
CC(C)OC[C@@H](C(=O)[O-])N(C)C(=O)c1c[nH]c(C#N)c1	ZINC000833503806	614025607	/nfs/dbraw/zinc/02/56/07/614025607.db2.gz	JDYWHNOYKNUWAT-NSHDSACASA-N	-1	0	279.296	0.837	20	30		CCEDRM
CC(C)OC[C@H](NS(=O)(=O)CCCCC#N)C(=O)[O-]	ZINC000863416015	614035562	/nfs/dbraw/zinc/03/55/62/614035562.db2.gz	ATOGKGMAXCTDJS-JTQLQIEISA-N	-1	0	292.357	0.478	20	30		CCEDRM
CC(C)S(=O)(=O)NN=CC1CCN(C(=O)[O-])CC1	ZINC000824431828	614069333	/nfs/dbraw/zinc/06/93/33/614069333.db2.gz	SMBFWPJSFOUUFA-UHFFFAOYSA-N	-1	0	277.346	0.690	20	30		CCEDRM
CC(C)[C@@H](NC(=O)[O-])C(=O)O[C@H](C)C(=O)N(C)CCC#N	ZINC000827809623	614125668	/nfs/dbraw/zinc/12/56/68/614125668.db2.gz	HEPRQISUEFCXEV-NXEZZACHSA-N	-1	0	299.327	0.582	20	30		CCEDRM
CC(C)[C@@](C)(C#N)NC(=O)CN(C)[C@H](C)C(=O)[O-]	ZINC000817771976	614180354	/nfs/dbraw/zinc/18/03/54/614180354.db2.gz	APWXAXYEWORKNN-BXKDBHETSA-N	-1	0	255.318	0.446	20	30		CCEDRM
CC(C)(O)CNN=Cc1[nH]nc2cc(C(=O)[O-])ccc21	ZINC000863138524	614194526	/nfs/dbraw/zinc/19/45/26/614194526.db2.gz	LITIZUIJSZEXED-UHFFFAOYSA-N	-1	0	276.296	0.956	20	30		CCEDRM
CC(=O)O[C@H]1CCCN(C(=O)[C@@](C)(C#N)CC(=O)[O-])C1	ZINC000819796761	614228455	/nfs/dbraw/zinc/22/84/55/614228455.db2.gz	JWQSNNPOFYCQGX-GXFFZTMASA-N	-1	0	282.296	0.545	20	30		CCEDRM
CC(C)Cc1noc(Cn2cnc(-c3nnn[n-]3)c2C#N)n1	ZINC000824280805	614234429	/nfs/dbraw/zinc/23/44/29/614234429.db2.gz	UTRYRRSMDWBMBX-UHFFFAOYSA-N	-1	0	299.298	0.565	20	30		CCEDRM
CC(C)(C#N)CS(=O)(=O)N1CCC[C@@H](C(=O)[O-])C1	ZINC000905985070	614286495	/nfs/dbraw/zinc/28/64/95/614286495.db2.gz	BGCDJDLVRLVEAX-SECBINFHSA-N	-1	0	274.342	0.663	20	30		CCEDRM
CC(C)[C@](C)(C#N)NC(=O)[C@H](C)N1CC[C@H](NC(=O)[O-])C1	ZINC000823678845	614286685	/nfs/dbraw/zinc/28/66/85/614286685.db2.gz	WFGPWWRGCPJSMF-MJVIPROJSA-N	-1	0	296.371	0.771	20	30		CCEDRM
CC(C)(C#N)CS(=O)(=O)[N-][C@H](CCO)C(F)(F)F	ZINC000919960761	614287979	/nfs/dbraw/zinc/28/79/79/614287979.db2.gz	AAASJZOAESRXLS-SSDOTTSWSA-N	-1	0	288.291	0.769	20	30		CCEDRM
CC1(C)C[C@@H](S(=O)(=O)[N-]C(=O)c2ccc(C#N)o2)CO1	ZINC000861139113	614749939	/nfs/dbraw/zinc/74/99/39/614749939.db2.gz	PGWLCYOIVAEFPT-SECBINFHSA-N	-1	0	298.320	0.778	20	30		CCEDRM
CC1(C)[C@@]2(C)CC[C@]1(C(=O)N[C@H]1CCN(O)C1=O)OC2=O	ZINC000820128611	614872384	/nfs/dbraw/zinc/87/23/84/614872384.db2.gz	ZEEABVBNPURGPN-ULCPSODYSA-N	-1	0	296.323	0.215	20	30		CCEDRM
CCC[C@@H](C#N)NC(=O)CO[C@H]1CCCN(C(=O)[O-])C1	ZINC000826705611	614971056	/nfs/dbraw/zinc/97/10/56/614971056.db2.gz	DYNGTZPRFYCFGH-QWRGUYRKSA-N	-1	0	283.328	0.954	20	30		CCEDRM
CC1CC(C#N)(C(=O)N[C@@H]2CCN(C(=O)[O-])C2)C1	ZINC000825783738	615011136	/nfs/dbraw/zinc/01/11/36/615011136.db2.gz	NJFGOTAPVYZLIC-NBBOBHDQSA-N	-1	0	251.286	0.795	20	30		CCEDRM
CCN(CCC#N)C(=O)CN1CCC[C@H]1CNC(=O)[O-]	ZINC000827112260	615021429	/nfs/dbraw/zinc/02/14/29/615021429.db2.gz	ZIQRFFSEPBVSSS-NSHDSACASA-N	-1	0	282.344	0.481	20	30		CCEDRM
CCN(C[C@@H](C)C#N)C(=O)CN1CCC[C@@H]1CNC(=O)[O-]	ZINC000827019616	615061466	/nfs/dbraw/zinc/06/14/66/615061466.db2.gz	AQMWNXLCGYUKIY-NWDGAFQWSA-N	-1	0	296.371	0.727	20	30		CCEDRM
CCN(C[C@@H](C)C#N)C(=O)C[NH2+][C@](C)(C(=O)[O-])C1CC1	ZINC000829642352	615061884	/nfs/dbraw/zinc/06/18/84/615061884.db2.gz	KCOWTHRFDMEGCQ-HZMBPMFUSA-N	-1	0	281.356	0.837	20	30		CCEDRM
CCN([C@@H](C)C(=O)[O-])S(=O)(=O)CC1(C#N)CC1	ZINC000899564498	615077163	/nfs/dbraw/zinc/07/71/63/615077163.db2.gz	JCCPXCYICLOELU-QMMMGPOBSA-N	-1	0	260.315	0.415	20	30		CCEDRM
CCOC(=O)C(C)(C)ON=Cc1c(C(=O)[O-])cnn1C	ZINC000848412022	615151119	/nfs/dbraw/zinc/15/11/19/615151119.db2.gz	HVJIJCVXPMINRU-UHFFFAOYSA-N	-1	0	283.284	0.811	20	30		CCEDRM
CCOC(=O)CCN(C)C(=O)[C@](C)(C#N)CC(=O)[O-]	ZINC000820364370	615176318	/nfs/dbraw/zinc/17/63/18/615176318.db2.gz	FOBJXGJKBPYAJM-LBPRGKRZSA-N	-1	0	270.285	0.403	20	30		CCEDRM
CCOC[C@@H]1CCN(C(=O)[C@](C)(C#N)CC(=O)[O-])C1	ZINC000820378200	615310337	/nfs/dbraw/zinc/31/03/37/615310337.db2.gz	XSCWMPBNDCWYJG-MFKMUULPSA-N	-1	0	268.313	0.876	20	30		CCEDRM
CCOC(=O)[C@H](C)NC(=O)[C@@](C)(C#N)CC(=O)[O-]	ZINC000820360836	615342609	/nfs/dbraw/zinc/34/26/09/615342609.db2.gz	GZXHVDYZXPOAPA-WRWORJQWSA-N	-1	0	256.258	0.059	20	30		CCEDRM
CCO[N-]C(=O)CNC(=O)NCC(C)(C)CCC#N	ZINC000845534208	615362249	/nfs/dbraw/zinc/36/22/49/615362249.db2.gz	ZNYWHAYJNXRMHU-UHFFFAOYSA-N	-1	0	270.333	0.683	20	30		CCEDRM
CCO[N-]C(=O)CNC(=O)NCc1cccc(C#N)c1	ZINC000845538834	615364935	/nfs/dbraw/zinc/36/49/35/615364935.db2.gz	AIKIKSIVLQEKJE-UHFFFAOYSA-N	-1	0	276.296	0.425	20	30		CCEDRM
CCO[N-]C(=O)CNC(=O)c1sccc1CC#N	ZINC000869149069	615373379	/nfs/dbraw/zinc/37/33/79/615373379.db2.gz	OVHMGVUUXGBZHJ-UHFFFAOYSA-N	-1	0	267.310	0.612	20	30		CCEDRM
CCO[C@@H]1C[C@@H]1C(=O)N1CCN(C(=O)[O-])C[C@@H]1C#N	ZINC000827389585	615438347	/nfs/dbraw/zinc/43/83/47/615438347.db2.gz	URBAIRTXSIDJPA-LPEHRKFASA-N	-1	0	267.285	0.126	20	30		CCEDRM
CC[C@@H](C)[C@H](NC(=O)CN(CC)CCC#N)C(=O)[O-]	ZINC000828707240	615468175	/nfs/dbraw/zinc/46/81/75/615468175.db2.gz	DVOUJWCKLASCQY-PWSUYJOCSA-N	-1	0	269.345	0.837	20	30		CCEDRM
CC[C@@H](NC(=O)C(=O)Nc1cccc(C#N)c1)C(=O)[O-]	ZINC000818269663	615524570	/nfs/dbraw/zinc/52/45/70/615524570.db2.gz	GDZVDLJOXQQGME-SNVBAGLBSA-N	-1	0	275.264	0.476	20	30		CCEDRM
CC[C@H](C#N)NS(=O)(=O)c1ccc(C(=O)[O-])cc1	ZINC000833635949	615599923	/nfs/dbraw/zinc/59/99/23/615599923.db2.gz	CLWJMNJNLKICLR-SECBINFHSA-N	-1	0	268.294	0.965	20	30		CCEDRM
CC[C@H](C#N)NS(=O)(=O)c1cc(C(=O)[O-])c(C)o1	ZINC000833636156	615599962	/nfs/dbraw/zinc/59/99/62/615599962.db2.gz	JUCGYNHHDHNWOU-SSDOTTSWSA-N	-1	0	272.282	0.867	20	30		CCEDRM
CC[C@H](NN=C1CCCc2nc(N)ncc21)C(=O)[O-]	ZINC000814937818	615819647	/nfs/dbraw/zinc/81/96/47/615819647.db2.gz	PSCCILZJWAXIOA-QMMMGPOBSA-N	-1	0	263.301	0.552	20	30		CCEDRM
CN(C(=O)C[C@@H]1CN(C(=O)[O-])CCO1)C1(C#N)CCC1	ZINC000827750927	615821573	/nfs/dbraw/zinc/82/15/73/615821573.db2.gz	CJLISAQJSIISOR-SNVBAGLBSA-N	-1	0	281.312	0.660	20	30		CCEDRM
CN(C(=O)[O-])[C@H]1CCN(C(=O)c2cc(C#N)cn2C)C1	ZINC000827865582	615845278	/nfs/dbraw/zinc/84/52/78/615845278.db2.gz	RFQMWRMKSUAUNM-JTQLQIEISA-N	-1	0	276.296	0.721	20	30		CCEDRM
CC[C@H](SC)C(=O)[N-]S(=O)(=O)c1cncc(C#N)c1	ZINC000813984812	615867698	/nfs/dbraw/zinc/86/76/98/615867698.db2.gz	BWMQWIDNIFRTGA-JTQLQIEISA-N	-1	0	299.377	0.900	20	30		CCEDRM
CCc1oc(C(=O)[O-])cc1S(=O)(=O)NC1(C#N)CC1	ZINC000833683576	615871185	/nfs/dbraw/zinc/87/11/85/615871185.db2.gz	UXORRMWWOYOLDK-UHFFFAOYSA-N	-1	0	284.293	0.875	20	30		CCEDRM
CN([C@@H](C(=O)[O-])c1cccc(C#N)c1)[C@@H]1CCNC1=O	ZINC000833692434	616115273	/nfs/dbraw/zinc/11/52/73/616115273.db2.gz	WVCBDDUURKFZNE-VXGBXAGGSA-N	-1	0	273.292	0.504	20	30		CCEDRM
CN([C@H]1CCN(C(=O)[O-])C1)S(=O)(=O)CCCC#N	ZINC000828086041	616116587	/nfs/dbraw/zinc/11/65/87/616116587.db2.gz	OEMBAOBVVXVSLG-VIFPVBQESA-N	-1	0	275.330	0.304	20	30		CCEDRM
CN(C[C@H]1CCOC1)C(=O)[C@@](C)(C#N)CC(=O)[O-]	ZINC000820579876	616160916	/nfs/dbraw/zinc/16/09/16/616160916.db2.gz	LXWFSVCWAHLKBN-BXKDBHETSA-N	-1	0	254.286	0.486	20	30		CCEDRM
CN(Cc1ccc(F)cc1)C(=O)CN(CC#N)CC(=O)[O-]	ZINC000830825378	616166557	/nfs/dbraw/zinc/16/65/57/616166557.db2.gz	SRCVPEPAZREQEC-UHFFFAOYSA-N	-1	0	293.298	0.694	20	30		CCEDRM
CN1CCC[C@H](N[C@@H](C(=O)[O-])c2ccc(C#N)cc2)C1=O	ZINC000830935332	616208415	/nfs/dbraw/zinc/20/84/15/616208415.db2.gz	WFWBMLACQIJHCF-QWHCGFSZSA-N	-1	0	287.319	0.894	20	30		CCEDRM
CN([C@@H](C(=O)[O-])c1cccc(C#N)c1)[C@@H]1CCN(C)C1=O	ZINC000830923554	616273494	/nfs/dbraw/zinc/27/34/94/616273494.db2.gz	LWJVXPUSVCUTOY-CHWSQXEVSA-N	-1	0	287.319	0.846	20	30		CCEDRM
COC(=O)/C(C)=C/COC(=O)[C@](C)(C#N)CC(=O)[O-]	ZINC000820653355	616293307	/nfs/dbraw/zinc/29/33/07/616293307.db2.gz	FSUHRLMJEJJJST-GXWOQWCDSA-N	-1	0	269.253	0.653	20	30		CCEDRM
COCCN1CCN(C(=O)[C@](C)(C#N)CC(=O)[O-])C[C@@H]1C	ZINC000820730699	616367088	/nfs/dbraw/zinc/36/70/88/616367088.db2.gz	YIDJICWNDFGWBS-FZMZJTMJSA-N	-1	0	297.355	0.170	20	30		CCEDRM
CN1CC[C@H](C(=O)Nc2cc(C#N)ccc2[O-])S1(=O)=O	ZINC000843842533	616382046	/nfs/dbraw/zinc/38/20/46/616382046.db2.gz	KAAFBLSBQYOIPT-LLVKDONJSA-N	-1	0	295.320	0.236	20	30		CCEDRM
COC(=O)C1CCC(NC(=O)[C@](C)(C#N)CC(=O)[O-])CC1	ZINC000820660300	616464335	/nfs/dbraw/zinc/46/43/35/616464335.db2.gz	CJYIWPVFDZZWID-FDZGAKKTSA-N	-1	0	296.323	0.839	20	30		CCEDRM
COCCNC(=O)C(C#N)=C([O-])c1cccc(SC)n1	ZINC000842683871	616496553	/nfs/dbraw/zinc/49/65/53/616496553.db2.gz	DTSOSECRXUWWDE-SECBINFHSA-N	-1	0	293.348	0.889	20	30		CCEDRM
COCCNC(=O)C(C#N)=C([O-])c1cc(C(C)=O)cn1C	ZINC000916892472	616496554	/nfs/dbraw/zinc/49/65/54/616496554.db2.gz	MBBOUYHTKUKQMQ-LLVKDONJSA-N	-1	0	291.307	0.313	20	30		CCEDRM
COC(=O)[C@H](C)CN(C)C(=O)[C@@](C)(C#N)CC(=O)[O-]	ZINC000820653405	616574545	/nfs/dbraw/zinc/57/45/45/616574545.db2.gz	HLQXEFOXYWCGAS-PRHODGIISA-N	-1	0	270.285	0.258	20	30		CCEDRM
COC(=O)[C@H](C)Oc1ccc(C=NNCC(=O)[O-])cc1	ZINC000814960489	616586418	/nfs/dbraw/zinc/58/64/18/616586418.db2.gz	NULMEBNPVMWYSH-VIFPVBQESA-N	-1	0	280.280	0.635	20	30		CCEDRM
COC(=O)C[C@@H](NC(=O)C#Cc1ccccc1)C(=O)[O-]	ZINC000214184801	616641110	/nfs/dbraw/zinc/64/11/10/616641110.db2.gz	MDTGMCQDYKJBRV-LLVKDONJSA-N	-1	0	275.260	0.171	20	30		CCEDRM
COCC[C@H](NC(=O)NCC#Cc1ccccc1)C(=O)[O-]	ZINC000908769383	616682847	/nfs/dbraw/zinc/68/28/47/616682847.db2.gz	XHBPRYCUQSDXSC-ZDUSSCGKSA-N	-1	0	290.319	0.827	20	30		CCEDRM
COC(=O)C[C@H](C)C(=O)C(C#N)=C([O-])c1nccn1C	ZINC000122498496	616683129	/nfs/dbraw/zinc/68/31/29/616683129.db2.gz	TWKUWLPIEPTKAK-IUCAKERBSA-N	-1	0	277.280	0.511	20	30		CCEDRM
CO[C@@H]1CC[C@H](C(=O)[N-]S(=O)(=O)CCCC#N)C1	ZINC000850927056	616699155	/nfs/dbraw/zinc/69/91/55/616699155.db2.gz	YEGVZZHFOUQTFW-VHSXEESVSA-N	-1	0	274.342	0.551	20	30		CCEDRM
COCC1(CC(=O)[N-]S(=O)(=O)CCC#N)CC1	ZINC000842793741	616760823	/nfs/dbraw/zinc/76/08/23/616760823.db2.gz	NIVUTKUBBXCLOB-UHFFFAOYSA-N	-1	0	260.315	0.163	20	30		CCEDRM
COC[C@@H](C#N)OC(=O)c1ccc(-c2nn[nH]n2)s1	ZINC000826147643	616774933	/nfs/dbraw/zinc/77/49/33/616774933.db2.gz	GBTWGGZIXJFXCH-ZCFIWIBFSA-N	-1	0	279.281	0.624	20	30		CCEDRM
COC[C@](C)(C#N)NC(=O)[C@H](C)CN(C)C(=O)[O-]	ZINC000828885337	616817545	/nfs/dbraw/zinc/81/75/45/616817545.db2.gz	CBCORQSZJOBHRE-KCJUWKMLSA-N	-1	0	257.290	0.277	20	30		CCEDRM
COC[C@@H](C)S(=O)(=O)[N-]C(=O)c1ccc(C)c(C#N)c1	ZINC000799611731	616838992	/nfs/dbraw/zinc/83/89/92/616838992.db2.gz	ZIDXPCGKLHDKII-SNVBAGLBSA-N	-1	0	296.348	0.961	20	30		CCEDRM
CNC(=O)C(C#N)=C([O-])c1cnc(C(C)C)nc1C	ZINC000892518567	616839269	/nfs/dbraw/zinc/83/92/69/616839269.db2.gz	YFUQLSDYNGPDEF-SECBINFHSA-N	-1	0	260.297	0.977	20	30		CCEDRM
CNC(=O)C(C#N)=C([O-])c1ccc2c(c1)SCC(=O)N2	ZINC000810534524	616839518	/nfs/dbraw/zinc/83/95/18/616839518.db2.gz	VJPZMHYMVZYBMF-MRVPVSSYSA-N	-1	0	289.316	0.799	20	30		CCEDRM
COC(=O)c1cc(C=NNCC(=O)[O-])n(C)c1C	ZINC000814958644	616843456	/nfs/dbraw/zinc/84/34/56/616843456.db2.gz	IJZWLSKZFXFJLO-UHFFFAOYSA-N	-1	0	253.258	0.128	20	30		CCEDRM
COC(=O)c1cc(C=Nn2c(=O)[n-][nH]c2=O)n(C)c1C	ZINC000814231660	616844830	/nfs/dbraw/zinc/84/48/30/616844830.db2.gz	LBFRDCAIQXSQPU-UHFFFAOYSA-N	-1	0	279.256	0.005	20	30		CCEDRM
CO[C@@](C)(C(=O)[N-]S(=O)(=O)CC(C)(C)C#N)C1CC1	ZINC000813081299	616899192	/nfs/dbraw/zinc/89/91/92/616899192.db2.gz	MOOUXTGNPVUEAC-GFCCVEGCSA-N	-1	0	288.369	0.797	20	30		CCEDRM
COCCN(CCC(=O)[O-])c1ncncc1C#N	ZINC000900979978	616997740	/nfs/dbraw/zinc/99/77/40/616997740.db2.gz	SZEGXTHDEWNFBQ-UHFFFAOYSA-N	-1	0	250.258	0.276	20	30		CCEDRM
COC[C@@](C)(C#N)NC(=O)c1cnc(NC(=O)[O-])cn1	ZINC000833881749	617012146	/nfs/dbraw/zinc/01/21/46/617012146.db2.gz	CPYKAFVTYFAXSJ-LLVKDONJSA-N	-1	0	279.256	0.225	20	30		CCEDRM
COC[C@H](C#N)OC(=O)[C@@H]1CCCN(C(=O)[O-])C1	ZINC000833882033	617046687	/nfs/dbraw/zinc/04/66/87/617046687.db2.gz	IKSFLCRJNANGCM-BDAKNGLRSA-N	-1	0	256.258	0.458	20	30		CCEDRM
CO[N-]C(=O)CNC(=O)CSCc1ccc(C#N)cc1	ZINC000832773441	617110373	/nfs/dbraw/zinc/11/03/73/617110373.db2.gz	OPYHRAMVROFUFO-UHFFFAOYSA-N	-1	0	293.348	0.585	20	30		CCEDRM
COc1cc(C#N)ccc1NC(=O)C(=O)[N-]OCC1CC1	ZINC000815790741	617152662	/nfs/dbraw/zinc/15/26/62/617152662.db2.gz	BKNARLGYCOSIHE-UHFFFAOYSA-N	-1	0	289.291	0.963	20	30		CCEDRM
CO[C@@H](CNC(=O)[C@]1(C#N)CC12CCCC2)C(=O)[O-]	ZINC000923098916	617168865	/nfs/dbraw/zinc/16/88/65/617168865.db2.gz	ASDGHOWIAKQDBB-TVQRCGJNSA-N	-1	0	266.297	0.676	20	30		CCEDRM
CO[C@@H](Cc1ccccc1)C(=O)[N-]S(=O)(=O)CCC#N	ZINC000835410671	617170702	/nfs/dbraw/zinc/17/07/02/617170702.db2.gz	YCEWPPSCMBTUKX-LBPRGKRZSA-N	-1	0	296.348	0.604	20	30		CCEDRM
C[C@H](O)CN(C)N=Cc1ccc([N+](=O)[O-])c([O-])c1	ZINC000841650199	625302435	/nfs/dbraw/zinc/30/24/35/625302435.db2.gz	DODASGPWCIRQGJ-QMMMGPOBSA-N	-1	0	253.258	0.947	20	30		CCEDRM
C[C@@H](C(=O)Nc1cc(C#N)ccc1[O-])S(C)(=O)=O	ZINC000176823022	623084105	/nfs/dbraw/zinc/08/41/05/623084105.db2.gz	MWDYKRCDXFALJB-ZETCQYMHSA-N	-1	0	268.294	0.635	20	30		CCEDRM
C[C@@H]1CO[C@@H](C(=O)[N-]S(=O)(=O)c2cccc(C#N)c2)C1	ZINC000892422468	623223587	/nfs/dbraw/zinc/22/35/87/623223587.db2.gz	UYVIJJFIJAELQB-JOYOIKCWSA-N	-1	0	294.332	0.788	20	30		CCEDRM
C[C@@H]1CO[C@H](C(=O)[N-]S(=O)(=O)c2cccc(C#N)c2)C1	ZINC000892422467	623224070	/nfs/dbraw/zinc/22/40/70/623224070.db2.gz	UYVIJJFIJAELQB-CABZTGNLSA-N	-1	0	294.332	0.788	20	30		CCEDRM
COCCNC(=O)C(C#N)=C([O-])c1ccc(F)c(OC)c1	ZINC000177687309	623444617	/nfs/dbraw/zinc/44/46/17/623444617.db2.gz	OBAVDHJUEDRLAU-SNVBAGLBSA-N	-1	0	294.282	0.919	20	30		CCEDRM
C#C[C@@H](CC)NS(=O)(=O)c1cc(C(=O)[O-])n(C)c1	ZINC000229871448	623571673	/nfs/dbraw/zinc/57/16/73/623571673.db2.gz	TVGXCDAEAZLLII-QMMMGPOBSA-N	-1	0	270.310	0.413	20	30		CCEDRM
COCCCNC(=O)C(C#N)=C([O-])c1ccoc1	ZINC000125070306	624804957	/nfs/dbraw/zinc/80/49/57/624804957.db2.gz	BHUKFGQDANCFSG-SNVBAGLBSA-N	-1	0	250.254	0.755	20	30		CCEDRM
CCc1nc(C#N)cc(N2CCO[C@H](C(=O)[O-])C2)n1	ZINC000308408016	624870515	/nfs/dbraw/zinc/87/05/15/624870515.db2.gz	KMULQZWBODYPTP-VIFPVBQESA-N	-1	0	262.269	0.200	20	30		CCEDRM
N#C[C@H]1COCCN1C(=O)c1cccc(F)c1[O-]	ZINC000933560009	624892064	/nfs/dbraw/zinc/89/20/64/624892064.db2.gz	OPFJWQFIEQVYGF-QMMMGPOBSA-N	-1	0	250.229	0.896	20	30		CCEDRM
C#C[C@H](C)NS(=O)(=O)c1ccc(C(=O)[O-])c(C)c1	ZINC000310878343	624966623	/nfs/dbraw/zinc/96/66/23/624966623.db2.gz	UEQHQACLSOJJNJ-VIFPVBQESA-N	-1	0	267.306	0.993	20	30		CCEDRM
C#C[C@@H](NC(=O)N1CC[C@](COC)(C(=O)[O-])C1)C(C)C	ZINC000313602253	625856322	/nfs/dbraw/zinc/85/63/22/625856322.db2.gz	BJYDGRAYJFYWNN-RISCZKNCSA-N	-1	0	282.340	0.777	20	30		CCEDRM
CCC[C@H](C#N)[N-]S(=O)(=O)N=S(C)(C)=O	ZINC000903095181	634535367	/nfs/dbraw/zinc/53/53/67/634535367.db2.gz	LRMKJGWVZHRKHP-SSDOTTSWSA-N	-1	0	253.349	0.241	20	30		CCEDRM
C=CCCO[C@@H](C)C(=O)N[C@@](C)(COC)CC(=O)[O-]	ZINC000262058793	631834695	/nfs/dbraw/zinc/83/46/95/631834695.db2.gz	GTAPADIYAORASX-GXFFZTMASA-N	-1	0	273.329	0.964	20	30		CCEDRM
C=CCCC(=O)[N-]S(=O)(=O)c1cnn(CC(F)F)c1	ZINC000189813376	632816580	/nfs/dbraw/zinc/81/65/80/632816580.db2.gz	JBLNGCFXVWNGKD-UHFFFAOYSA-N	-1	0	293.295	0.919	20	30		CCEDRM
C#CCCCCNS(=O)(=O)c1c[nH]c(=O)s1	ZINC000866955123	632854185	/nfs/dbraw/zinc/85/41/85/632854185.db2.gz	PKPCMCHRQNROLR-UHFFFAOYSA-N	-1	0	260.340	0.931	20	30		CCEDRM
O=C([O-])c1ccc(C=NN[C@@H]2CCOC2)cc1O	ZINC000901231007	634211954	/nfs/dbraw/zinc/21/19/54/634211954.db2.gz	AHYNDFXVYVILEL-SECBINFHSA-N	-1	0	250.254	0.803	20	30		CCEDRM
N#Cc1ccc(CC(=O)N(CC(=O)[O-])C2CCC2)cn1	ZINC000902031820	634303244	/nfs/dbraw/zinc/30/32/44/634303244.db2.gz	MPAKEVLDAJIKIJ-UHFFFAOYSA-N	-1	0	273.292	0.961	20	30		CCEDRM
C[C@@H]1[C@H](C(=O)[O-])CCN1S(=O)(=O)CC(C)(C)C#N	ZINC000905994747	634944987	/nfs/dbraw/zinc/94/49/87/634944987.db2.gz	OJIPZMSLTHGFTC-RKDXNWHRSA-N	-1	0	274.342	0.661	20	30		CCEDRM
C[C@@H]1CN(S(=O)(=O)CC(C)(C)C#N)CC[C@@H]1C(=O)[O-]	ZINC000905991501	634945253	/nfs/dbraw/zinc/94/52/53/634945253.db2.gz	RCBQZYCMLDCKEK-ZJUUUORDSA-N	-1	0	288.369	0.909	20	30		CCEDRM
C[C@H]1[C@H](C(=O)[O-])CCN1S(=O)(=O)CC(C)(C)C#N	ZINC000905994745	634945537	/nfs/dbraw/zinc/94/55/37/634945537.db2.gz	OJIPZMSLTHGFTC-DTWKUNHWSA-N	-1	0	274.342	0.661	20	30		CCEDRM
C[C@H](CC#N)C(=O)N1CCSC[C@H]1c1nnn[n-]1	ZINC000907480135	635139762	/nfs/dbraw/zinc/13/97/62/635139762.db2.gz	LMSPMTWSATWSFL-SFYZADRCSA-N	-1	0	266.330	0.366	20	30		CCEDRM
O=C(N[C@H]1CCCN(O)C1=O)c1ccc(Cl)nc1F	ZINC000908402134	635366820	/nfs/dbraw/zinc/36/68/20/635366820.db2.gz	AOIGJCOUXZCPDW-ZETCQYMHSA-N	-1	0	287.678	0.984	20	30		CCEDRM
C[Si](C)(C)C#CCCNC(=O)CCCc1nnn[n-]1	ZINC000912331106	636548282	/nfs/dbraw/zinc/54/82/82/636548282.db2.gz	ZRAMMOOCEYNKTA-UHFFFAOYSA-N	-1	0	279.420	0.910	20	30		CCEDRM
C#CC[C@@H](NC(=O)[C@H](OC)c1ccccc1)C(=O)[O-]	ZINC000059933840	637029595	/nfs/dbraw/zinc/02/95/95/637029595.db2.gz	AJTJZNBMKFOCJK-VXGBXAGGSA-N	-1	0	261.277	0.967	20	30		CCEDRM
COC(C)(C)C(=O)[N-]S(=O)(=O)Cc1cccc(C#N)c1	ZINC000171700286	637141135	/nfs/dbraw/zinc/14/11/35/637141135.db2.gz	JHNUWWWWVGKJAB-UHFFFAOYSA-N	-1	0	296.348	0.929	20	30		CCEDRM
C#C[C@@H](NC(=O)NCC1(C(=O)[O-])CCOCC1)C(C)C	ZINC000312156089	637347067	/nfs/dbraw/zinc/34/70/67/637347067.db2.gz	PNPCCRKBYLVPIX-LLVKDONJSA-N	-1	0	282.340	0.825	20	30		CCEDRM
N#Cc1ccc([O-])c(NC(=O)[C@H]2CCNC(=O)C2)c1	ZINC000152083624	637464216	/nfs/dbraw/zinc/46/42/16/637464216.db2.gz	CUSKAMJWCFWKRW-VIFPVBQESA-N	-1	0	259.265	0.729	20	30		CCEDRM
CC#CCS(=O)(=O)[N-]C(=O)c1ncoc1C1CC1	ZINC000816056201	638836605	/nfs/dbraw/zinc/83/66/05/638836605.db2.gz	JEABHIKUQIKHER-UHFFFAOYSA-N	-1	0	268.294	0.635	20	30		CCEDRM
N#C[C@]1(C(=O)N[C@@H](CC(F)F)C(=O)[O-])CCCOC1	ZINC000923080334	640016914	/nfs/dbraw/zinc/01/69/14/640016914.db2.gz	YOKFAOPFJCNAEG-WRWORJQWSA-N	-1	0	276.239	0.531	20	30		CCEDRM
Cc1cc(C(=O)[N-]S(=O)(=O)N(C)C(C)C)ncc1C#N	ZINC000838797434	640272112	/nfs/dbraw/zinc/27/21/12/640272112.db2.gz	PNBYOVZFQXMTFF-UHFFFAOYSA-N	-1	0	296.352	0.577	20	30		CCEDRM
Cc1oc(C#N)cc1C(=O)N1CCO[C@@H](c2nnn[n-]2)C1	ZINC000797864379	640469683	/nfs/dbraw/zinc/46/96/83/640469683.db2.gz	GSQHQQQIGBVDNI-SNVBAGLBSA-N	-1	0	288.267	0.187	20	30		CCEDRM
C#CCCCC(=O)[N-]S(=O)(=O)C[C@H]1CCCOC1	ZINC000803010335	640712779	/nfs/dbraw/zinc/71/27/79/640712779.db2.gz	IJRQLSCCCZDVFE-NSHDSACASA-N	-1	0	273.354	0.663	20	30		CCEDRM
N#Cc1ccc(S(=O)(=O)N(CC(=O)[O-])C2CC2)o1	ZINC000806635587	640793635	/nfs/dbraw/zinc/79/36/35/640793635.db2.gz	DHLKLZOASJZNBG-UHFFFAOYSA-N	-1	0	270.266	0.389	20	30		CCEDRM
CS(=O)(=O)[N-]C(=O)Cc1cccc(OCC#N)c1	ZINC000810516429	640936621	/nfs/dbraw/zinc/93/66/21/640936621.db2.gz	NUHBDSRXAOLUJG-UHFFFAOYSA-N	-1	0	268.294	0.207	20	30		CCEDRM
CC#CCS(=O)(=O)[N-]C(=O)c1ncc(C)cc1OC	ZINC000810776243	640949501	/nfs/dbraw/zinc/94/95/01/640949501.db2.gz	LIOFIMLDQTXQIL-UHFFFAOYSA-N	-1	0	282.321	0.482	20	30		CCEDRM
C[C@H](C(=O)[N-]OC/C=C\Cl)n1cnc(C#N)n1	ZINC000812408657	641003008	/nfs/dbraw/zinc/00/30/08/641003008.db2.gz	RQIWZNHTLKPRDY-SKRYNEFJSA-N	-1	0	255.665	0.511	20	30		CCEDRM
N#Cc1cncc(S(=O)(=O)[N-]C(=O)CCC(F)F)c1	ZINC000813983837	641052118	/nfs/dbraw/zinc/05/21/18/641052118.db2.gz	IXLIWXXUXIMOIP-UHFFFAOYSA-N	-1	0	289.263	0.803	20	30		CCEDRM
O=c1[n-][nH]c(=O)n1N=Cc1occc1Br	ZINC000814231747	641062031	/nfs/dbraw/zinc/06/20/31/641062031.db2.gz	DXEODZPVGGIYBD-UHFFFAOYSA-N	-1	0	273.046	0.927	20	30		CCEDRM
C[C@@H]1CCC(=NNCC(=O)[O-])[C@@H](n2cncn2)C1	ZINC000814956989	641085152	/nfs/dbraw/zinc/08/51/52/641085152.db2.gz	RJRQBCZZZONAML-SCZZXKLOSA-N	-1	0	251.290	0.669	20	30		CCEDRM
Cc1cc(C#N)cnc1C(=O)[N-]S(=O)(=O)c1cc[nH]n1	ZINC000816036090	641137078	/nfs/dbraw/zinc/13/70/78/641137078.db2.gz	DBQGLYGHSRYTFO-UHFFFAOYSA-N	-1	0	291.292	0.104	20	30		CCEDRM
C[C@@H](c1cccc(C#N)c1)N(C)C(=O)c1cc(=O)[nH][n-]1	ZINC000819737415	641427897	/nfs/dbraw/zinc/42/78/97/641427897.db2.gz	XPYTWSOAPLFKJX-VIFPVBQESA-N	-1	0	270.292	0.954	20	30		CCEDRM
C[C@@H]1CCn2ncc(C(=O)N[C@H]3CCN(O)C3=O)c2C1	ZINC000820131762	641464851	/nfs/dbraw/zinc/46/48/51/641464851.db2.gz	LIOAJTZYKMFQSL-SCZZXKLOSA-N	-1	0	278.312	0.185	20	30		CCEDRM
C[C@H](CC(=O)[N-]S(=O)(=O)CC1(C#N)CC1)n1cccn1	ZINC000820593685	641519628	/nfs/dbraw/zinc/51/96/28/641519628.db2.gz	MRRIJJZSUVJCQK-SNVBAGLBSA-N	-1	0	296.352	0.584	20	30		CCEDRM
Cc1cccc(C(=O)[N-]S(=O)(=O)CCC#N)c1[N+](=O)[O-]	ZINC000821582384	641610185	/nfs/dbraw/zinc/61/01/85/641610185.db2.gz	LOFOIBPJJSTMNG-UHFFFAOYSA-N	-1	0	297.292	0.877	20	30		CCEDRM
Cc1ccn2ncc(C(=O)[N-]S(=O)(=O)CCC#N)c2n1	ZINC000821583794	641611114	/nfs/dbraw/zinc/61/11/14/641611114.db2.gz	HYBFJMSXPCEWQA-UHFFFAOYSA-N	-1	0	293.308	0.011	20	30		CCEDRM
N#CCCS(=O)(=O)[N-]C(=O)CCc1cscn1	ZINC000821583752	641611484	/nfs/dbraw/zinc/61/14/84/641611484.db2.gz	GQAIFMKHZGBRNI-UHFFFAOYSA-N	-1	0	273.339	0.435	20	30		CCEDRM
C#C[C@](C)(CC)NC(=O)c1cccc(-n2[n-]nnc2=N)c1	ZINC000823254888	641752000	/nfs/dbraw/zinc/75/20/00/641752000.db2.gz	HFJHKTKFJLZGST-CQSZACIVSA-N	-1	0	284.323	0.607	20	30		CCEDRM
N#Cc1c(-c2nnn[n-]2)ncn1Cc1ccccc1[N+](=O)[O-]	ZINC000826383264	641930866	/nfs/dbraw/zinc/93/08/66/641930866.db2.gz	RUHOKBJLXUYRMZ-UHFFFAOYSA-N	-1	0	296.250	0.891	20	30		CCEDRM
C[C@@]1([N-]C(=O)C(F)(F)F)CCN(C(=O)CC#N)C1	ZINC000830808034	642295634	/nfs/dbraw/zinc/29/56/34/642295634.db2.gz	UVWZNQHMDUFGQP-SECBINFHSA-N	-1	0	263.219	0.570	20	30		CCEDRM
N#Cc1ccccc1COC(=O)[C@@H]1COCCN1C(=O)[O-]	ZINC000831152312	642320119	/nfs/dbraw/zinc/32/01/19/642320119.db2.gz	CELXDQJQTYCKIG-LBPRGKRZSA-N	-1	0	290.275	0.980	20	30		CCEDRM
C#CCO[C@@H](C)C(=O)[N-]S(=O)(=O)c1ccc(C)cc1F	ZINC000835195556	642652814	/nfs/dbraw/zinc/65/28/14/642652814.db2.gz	KEDSOVZQBYQRCK-JTQLQIEISA-N	-1	0	299.323	0.977	20	30		CCEDRM
C#CCO[C@@H](C)C(=O)[N-]S(=O)(=O)c1cc(C)oc1C	ZINC000835275485	642655288	/nfs/dbraw/zinc/65/52/88/642655288.db2.gz	HLVNNIICSMUJMI-JTQLQIEISA-N	-1	0	285.321	0.740	20	30		CCEDRM
N#CCCCS(=O)(=O)[N-]C(=O)COCC1CCCC1	ZINC000835273195	642655549	/nfs/dbraw/zinc/65/55/49/642655549.db2.gz	HWRFQOVELOJLPY-UHFFFAOYSA-N	-1	0	288.369	0.943	20	30		CCEDRM
C#CCO[C@@H](C)C(=O)[N-]S(=O)(=O)Cc1cccc(C)c1	ZINC000835324427	642656948	/nfs/dbraw/zinc/65/69/48/642656948.db2.gz	SNEMRULFSBANSY-LBPRGKRZSA-N	-1	0	295.360	0.979	20	30		CCEDRM
C[C@H](CN(C)c1cccc(S(N)(=O)=O)c1C#N)C(=O)[O-]	ZINC000841511228	642822719	/nfs/dbraw/zinc/82/27/19/642822719.db2.gz	RMGWXIXGNQDKKG-MRVPVSSYSA-N	-1	0	297.336	0.363	20	30		CCEDRM
C=C[C@@](C)(O)c1cn(CC[N-]C(=O)C(F)(F)F)nn1	ZINC000849141456	643712361	/nfs/dbraw/zinc/71/23/61/643712361.db2.gz	XEUQPXBUYLBABG-SECBINFHSA-N	-1	0	278.234	0.350	20	30		CCEDRM
N#Cc1cccc(NC(=O)C(=O)[N-]OCC2CCC2)n1	ZINC000850722045	643810076	/nfs/dbraw/zinc/81/00/76/643810076.db2.gz	YDMBFJKGYBZBOU-UHFFFAOYSA-N	-1	0	274.280	0.740	20	30		CCEDRM
C[C@H](CC#N)C(=O)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])nc1	ZINC000850879626	643819552	/nfs/dbraw/zinc/81/95/52/643819552.db2.gz	UFGSGHCXYZGYBG-SSDOTTSWSA-N	-1	0	298.280	0.344	20	30		CCEDRM
C[C@H](CC#N)C(=O)[N-]S(=O)(=O)C[C@@H]1CCCO1	ZINC000850938516	643822954	/nfs/dbraw/zinc/82/29/54/643822954.db2.gz	YWPDBRWDUVZNON-BDAKNGLRSA-N	-1	0	260.315	0.161	20	30		CCEDRM
N#CC(C(=O)N1CCCC1)=C([O-])c1ccc(C#N)nc1	ZINC000115902274	650923492	/nfs/dbraw/zinc/92/34/92/650923492.db2.gz	VFCICLTWSSZTAG-LBPRGKRZSA-N	-1	0	268.276	0.898	20	30		CCEDRM
N#Cc1ccc(C(=O)[N-]S(=O)(=O)N2CCCCC2)cn1	ZINC000115908378	650923777	/nfs/dbraw/zinc/92/37/77/650923777.db2.gz	RSGQICQQCDQVSI-UHFFFAOYSA-N	-1	0	294.336	0.414	20	30		CCEDRM
Cc1[nH]c(C=NN2C(=O)[C@H](C)N(C)C2=O)cc1C(=O)[O-]	ZINC000857216665	644483075	/nfs/dbraw/zinc/48/30/75/644483075.db2.gz	ZPAFWJAWAUACAX-ZETCQYMHSA-N	-1	0	278.268	0.638	20	30		CCEDRM
O=C([O-])c1cccc(C=NN[C@@H]2CCCS(=O)(=O)C2)c1	ZINC000863131672	645062381	/nfs/dbraw/zinc/06/23/81/645062381.db2.gz	MQKQOYCKICYWPY-GFCCVEGCSA-N	-1	0	296.348	0.886	20	30		CCEDRM
N#Cc1ccc2c(c1)C[C@@H](NC(=O)CSCC(=O)[O-])C2	ZINC000868465770	645772847	/nfs/dbraw/zinc/77/28/47/645772847.db2.gz	FKVNEWWOAKZSLL-LBPRGKRZSA-N	-1	0	290.344	0.959	20	30		CCEDRM
O=Cc1ccc(C(=O)N[C@H]2CCCN(O)C2=O)s1	ZINC000868562180	645786732	/nfs/dbraw/zinc/78/67/32/645786732.db2.gz	DDMLFWYKPGWHBX-QMMMGPOBSA-N	-1	0	268.294	0.671	20	30		CCEDRM
N#Cc1cccc(O[N-]C(=O)C2(N3CCOCC3)CC2)c1	ZINC000870689930	646017260	/nfs/dbraw/zinc/01/72/60/646017260.db2.gz	DSZZUTHHEDWUCQ-UHFFFAOYSA-N	-1	0	287.319	0.833	20	30		CCEDRM
N#Cc1cccc(O[N-]C(=O)[C@H]2CCCS2(=O)=O)c1	ZINC000870690262	646018219	/nfs/dbraw/zinc/01/82/19/646018219.db2.gz	LJRBVAHDYDMJSB-LLVKDONJSA-N	-1	0	280.305	0.545	20	30		CCEDRM
Cn1ncc2c1ncn(N=Cc1ccc(C(=O)[O-])cc1)c2=O	ZINC000874183499	646430620	/nfs/dbraw/zinc/43/06/20/646430620.db2.gz	WUMDZPLYVJGFSB-UHFFFAOYSA-N	-1	0	297.274	0.710	20	30		CCEDRM
N#CCNC(=O)CCn1c(=O)c2ccccc2[n-]c1=S	ZINC000126784091	646850130	/nfs/dbraw/zinc/85/01/30/646850130.db2.gz	LQYDJESYOSZNEF-UHFFFAOYSA-N	-1	0	288.332	0.715	20	30		CCEDRM
Cn1cc(C(=O)[N-]S(=O)(=O)c2cccnc2)cn1	ZINC000042323696	649287814	/nfs/dbraw/zinc/28/78/14/649287814.db2.gz	KIWJWVDFMUBTDI-UHFFFAOYSA-N	-1	0	266.282	0.509	20	30		CCEDRM
C#CCCCC(=O)[N-]S(=O)(=O)C[C@H]1CCCCO1	ZINC000191124800	649468249	/nfs/dbraw/zinc/46/82/49/649468249.db2.gz	BGYWKKMIHUEWMR-LLVKDONJSA-N	-1	0	273.354	0.805	20	30		CCEDRM
CC(C)n1cnc(S(=O)(=O)[N-]C(=O)c2cnn(C)c2)c1	ZINC000089490439	649658793	/nfs/dbraw/zinc/65/87/93/649658793.db2.gz	CWFUDYRDVGHKAJ-UHFFFAOYSA-N	-1	0	297.340	0.891	20	30		CCEDRM
C#CCN(CC(=O)[O-])C(=O)N[C@@H]1CCS[C@H](C)C1	ZINC001588410042	958133493	/nfs/dbraw/zinc/13/34/93/958133493.db2.gz	OEJQQTVXBLHFAH-NXEZZACHSA-N	-1	0	270.354	1.000	20	30		CCEDRM
CC1=C(Oc2nc(Cl)nc(=O)[n-]2)C(=O)[C@@H](C)O1	ZINC001230241326	805587668	/nfs/dbraw/zinc/58/76/68/805587668.db2.gz	BEBYAIGBTMKHME-GSVOUGTGSA-N	-1	0	257.633	0.829	20	30		CCEDRM
C=CCN1CC[C@H]1CNC(=O)c1[nH]nc(C)c1[O-]	ZINC001038169688	790440638	/nfs/dbraw/zinc/44/06/38/790440638.db2.gz	JRMRAUPFMMTFMN-VIFPVBQESA-N	-1	0	250.302	0.414	20	30		CCEDRM
C=CCC1(C(=O)[O-])CN(S(=O)(=O)[C@@H](C)COC)C1	ZINC000722898578	791021692	/nfs/dbraw/zinc/02/16/92/791021692.db2.gz	TYMKWLBFGMTOBL-VIFPVBQESA-N	-1	0	277.342	0.314	20	30		CCEDRM
N#C[C@H]1COCCN1Cc1ccc(C(=O)[O-])cc1O	ZINC001231454721	805806857	/nfs/dbraw/zinc/80/68/57/805806857.db2.gz	UIOCEMGMOQJCLN-NSHDSACASA-N	-1	0	262.265	0.815	20	30		CCEDRM
N#C[C@@H]1COCCN1Cc1cc(C(=O)[O-])ccc1O	ZINC001231566258	805818301	/nfs/dbraw/zinc/81/83/01/805818301.db2.gz	VPYMMYPJYNXCLQ-LLVKDONJSA-N	-1	0	262.265	0.815	20	30		CCEDRM
CON=Cc1ccc(C(=O)N=c2[n-]ncn2C)cc1	ZINC000588470826	791419677	/nfs/dbraw/zinc/41/96/77/791419677.db2.gz	URPHDMLVXCYFJI-UHFFFAOYSA-N	-1	0	259.269	0.470	20	30		CCEDRM
C=C1CCC(CNS(=O)(=O)N(C)CCC(=O)[O-])CC1	ZINC000724458434	791529439	/nfs/dbraw/zinc/52/94/39/791529439.db2.gz	IJJLZSQVLFUFCF-UHFFFAOYSA-N	-1	0	290.385	0.974	20	30		CCEDRM
COC(=O)c1[n-]cnc(=O)c1OC1=C(C)O[C@H](C)C1=O	ZINC001233757724	806116310	/nfs/dbraw/zinc/11/63/10/806116310.db2.gz	GPJKVYMDMRXJRE-RXMQYKEDSA-N	-1	0	280.236	0.567	20	30		CCEDRM
COc1cc(/C=N/O)ccc1OC(=O)[C@H](O)CCC(=O)[O-]	ZINC001233799605	806122313	/nfs/dbraw/zinc/12/23/13/806122313.db2.gz	MDCBMIUUWNCATF-CULDGANSSA-N	-1	0	297.263	0.634	20	30		CCEDRM
N#Cc1cc(O)cc(OC(=O)[C@H](O)CCC(=O)[O-])c1	ZINC001234138557	806189195	/nfs/dbraw/zinc/18/91/95/806189195.db2.gz	AOPZCVXPARKGED-SNVBAGLBSA-N	-1	0	265.221	0.395	20	30		CCEDRM
C[C@H](CON)Oc1[n-]c(=O)nc2ccc(C#N)cc21	ZINC001234530129	806267182	/nfs/dbraw/zinc/26/71/82/806267182.db2.gz	IDCDAEINXSMWKV-SSDOTTSWSA-N	-1	0	260.253	0.865	20	30		CCEDRM
C=C(C)CCC(=O)N(C)C[C@H]1CCN1Cc1n[nH]c(=O)[n-]1	ZINC001234604706	806283412	/nfs/dbraw/zinc/28/34/12/806283412.db2.gz	UEJWXVLWGREEOA-LLVKDONJSA-N	-1	0	293.371	0.899	20	30		CCEDRM
C#C[C@@H]1CCCN(C(=O)NCC2(C(=O)[O-])CCOCC2)C1	ZINC001121899810	799087368	/nfs/dbraw/zinc/08/73/68/799087368.db2.gz	JALVYUBZLBDDPZ-GFCCVEGCSA-N	-1	0	294.351	0.923	20	30		CCEDRM
CCc1[nH]nc(Cl)c1C([O-])=C(C#N)C(=O)NCCOC	ZINC001122428055	799232423	/nfs/dbraw/zinc/23/24/23/799232423.db2.gz	RYTYJHOZTVNGHY-ZETCQYMHSA-N	-1	0	298.730	0.711	20	30		CCEDRM
CNC(=O)C(C#N)=C([O-])c1ccc(CN2CCOCC2)o1	ZINC001122516623	799255117	/nfs/dbraw/zinc/25/51/17/799255117.db2.gz	PXUPGSUSTKAHAG-LLVKDONJSA-N	-1	0	291.307	0.180	20	30		CCEDRM
CNC(=O)C(C#N)=C([O-])c1ccc(OC(F)F)nc1	ZINC001122556333	799262688	/nfs/dbraw/zinc/26/26/88/799262688.db2.gz	NDWFPUPQUSSFEU-ZETCQYMHSA-N	-1	0	269.207	0.751	20	30		CCEDRM
CC(C)=CCNC(=O)CCn1cc(C#N)c(=O)[n-]c1=O	ZINC001138229227	799713015	/nfs/dbraw/zinc/71/30/15/799713015.db2.gz	YRQXENVGHZTFJZ-UHFFFAOYSA-N	-1	0	276.296	0.293	20	30		CCEDRM
CCCCCCNC(=O)CCn1cc(C#N)c(=O)[n-]c1=O	ZINC001141322343	799999936	/nfs/dbraw/zinc/99/99/36/799999936.db2.gz	LDOWPSKREMPQIR-UHFFFAOYSA-N	-1	0	292.339	0.907	20	30		CCEDRM
O=C(N[C@@H]1CCN(O)C1=O)c1cc(-c2ccccn2)no1	ZINC001141380509	800003003	/nfs/dbraw/zinc/00/30/03/800003003.db2.gz	SBAZZYZJKYXJIG-SECBINFHSA-N	-1	0	288.263	0.457	20	30		CCEDRM
O=C(N[C@@H]1CCN(O)C1=O)c1cc(F)cc([N+](=O)[O-])c1	ZINC001141378305	800004064	/nfs/dbraw/zinc/00/40/64/800004064.db2.gz	QAZNCZJOQGWZFG-SECBINFHSA-N	-1	0	283.215	0.454	20	30		CCEDRM
N#Cc1cccc(O[N-]C(=O)Cc2nnc(N)s2)c1	ZINC001151437451	800425841	/nfs/dbraw/zinc/42/58/41/800425841.db2.gz	NSZZJPGJEOJOKJ-UHFFFAOYSA-N	-1	0	275.293	0.645	20	30		CCEDRM
CC(=O)[N-]S(=O)(=O)c1ccc(NC2(C#N)CCC2)nc1	ZINC001154919809	800869090	/nfs/dbraw/zinc/86/90/90/800869090.db2.gz	QTECPUCLJOWJCG-UHFFFAOYSA-N	-1	0	294.336	0.765	20	30		CCEDRM
CCOC(=O)c1cc(C)nc(N[C@@H]2CO[N-]C2=O)c1C#N	ZINC001156691823	801213524	/nfs/dbraw/zinc/21/35/24/801213524.db2.gz	XRSVBRPYCKSQCT-SNVBAGLBSA-N	-1	0	290.279	0.280	20	30		CCEDRM
C=CCn1cc(C(=O)N[C@@H](C)c2nn(C)cc2[O-])nn1	ZINC001158304704	801616640	/nfs/dbraw/zinc/61/66/40/801616640.db2.gz	DCMHZPIIPXSARY-QMMMGPOBSA-N	-1	0	276.300	0.394	20	30		CCEDRM
N#Cc1ncn(CC(=O)[N-]OCCOc2ccccc2)n1	ZINC001159229206	801777211	/nfs/dbraw/zinc/77/72/11/801777211.db2.gz	WQRBBOQEZBWBAL-UHFFFAOYSA-N	-1	0	287.279	0.277	20	30		CCEDRM
C=C[C@@H](O)C(=O)N[C@H](c1nc(=O)o[n-]1)C(C)(C)C	ZINC001162936938	802440210	/nfs/dbraw/zinc/44/02/10/802440210.db2.gz	VYGBQKCZMLTDNK-RNFRBKRXSA-N	-1	0	255.274	0.113	20	30		CCEDRM
Nc1nonc1C(=N[O-])Nc1ccc(-n2ccnn2)cc1	ZINC001210294653	803647075	/nfs/dbraw/zinc/64/70/75/803647075.db2.gz	ZQPLIGMCKBXQDF-UHFFFAOYSA-N	-1	0	286.255	0.480	20	30		CCEDRM
N#Cc1oc2ccccc2c1NC(=O)[C@@H]([NH3+])Cc1nnn[n-]1	ZINC001218628518	804043763	/nfs/dbraw/zinc/04/37/63/804043763.db2.gz	NFQRUHAKUSWSMT-QMMMGPOBSA-N	-1	0	297.278	0.326	20	30		CCEDRM
C=CCC[C@H](NC(=O)/C=C/c1cnn(C)c1)C(=O)[O-]	ZINC000316559134	804711057	/nfs/dbraw/zinc/71/10/57/804711057.db2.gz	ZIMWYKZFZCGKTE-MLRMMBSGSA-N	-1	0	263.297	0.969	20	30		CCEDRM
C=CCOC[C@@H](CS(=O)(=O)[O-])OCc1ncon1	ZINC001222894715	804939110	/nfs/dbraw/zinc/93/91/10/804939110.db2.gz	BAVBCMWXYBYDCJ-QMMMGPOBSA-N	-1	0	278.286	0.045	20	30		CCEDRM
N#Cc1ccc(C(=O)N2CC[C@H]3C[C@]32C(N)=O)c([O-])c1	ZINC001276864710	804954114	/nfs/dbraw/zinc/95/41/14/804954114.db2.gz	HCCGOHGEXZHRNG-LKFCYVNXSA-N	-1	0	271.276	0.354	20	30		CCEDRM
Cc1cc(C#N)c(OC(=O)[C@H](O)CC(=O)[O-])nc1C	ZINC001225528218	805138615	/nfs/dbraw/zinc/13/86/15/805138615.db2.gz	AWGFGOWQKHGKGR-SECBINFHSA-N	-1	0	264.237	0.311	20	30		CCEDRM
C=C[C@]1(C)CC[C@@H](Oc2c([O-])c(=O)c(=O)c2=O)C(C)(C)O1	ZINC001225830062	805166853	/nfs/dbraw/zinc/16/68/53/805166853.db2.gz	DNFSOVCKOGXLGQ-ANRSDYALSA-N	-1	0	294.303	0.630	20	30		CCEDRM
N#Cc1cc(F)c(=O)[n-]c1O[C@@H]1CCS(=O)(=O)C1	ZINC001226009008	805185745	/nfs/dbraw/zinc/18/57/45/805185745.db2.gz	PTYWLZJHLIKVOX-SSDOTTSWSA-N	-1	0	272.257	0.364	20	30		CCEDRM
N#Cc1ccc(C2CC2)nc1OC(=O)[C@H](O)CCC(=O)[O-]	ZINC001226262707	805213788	/nfs/dbraw/zinc/21/37/88/805213788.db2.gz	RVIZXLUHAVDITR-LLVKDONJSA-N	-1	0	290.275	0.962	20	30		CCEDRM
CCOC(=O)[C@H](C#C[Si](C)(C)C)Oc1c([O-])c(=O)c1=O	ZINC001226604031	805253035	/nfs/dbraw/zinc/25/30/35/805253035.db2.gz	AFCKKYUFLQWROI-QMMMGPOBSA-N	-1	0	296.351	0.180	20	30		CCEDRM
C#C[C@@H](CCC)Oc1[n-]c(=O)nc2c(=O)[n-]c(=O)[nH]c21	ZINC001226886286	805291490	/nfs/dbraw/zinc/29/14/90/805291490.db2.gz	MRVZFUODSWOMES-LURJTMIESA-N	-1	0	276.252	0.717	20	30		CCEDRM
N#Cc1ccc(O)c(OC(=O)[C@H](O)CCC(=O)[O-])c1	ZINC001227346982	805343842	/nfs/dbraw/zinc/34/38/42/805343842.db2.gz	YOYPXTCQCDRIFK-SECBINFHSA-N	-1	0	265.221	0.395	20	30		CCEDRM
CC[C@@H]1OC(C)=C(Oc2nc(=O)[n-]c(=O)[nH]2)C1=O	ZINC001227571252	805367255	/nfs/dbraw/zinc/36/72/55/805367255.db2.gz	REGHRJFEVCWUBB-YFKPBYRVSA-N	-1	0	253.214	0.271	20	30		CCEDRM
C#C[C@@H](Oc1[n-]c(=O)nc2ncsc21)C(=O)OCC	ZINC001227610952	805372841	/nfs/dbraw/zinc/37/28/41/805372841.db2.gz	NGRBRRHTVYNAFD-ZCFIWIBFSA-N	-1	0	279.277	0.736	20	30		CCEDRM
N#Cc1c(Cl)cccc1OC(=O)[C@H](O)CC(=O)[O-]	ZINC001227790331	805391953	/nfs/dbraw/zinc/39/19/53/805391953.db2.gz	UKKNMPANHORVIZ-MRVPVSSYSA-N	-1	0	269.640	0.953	20	30		CCEDRM
C#C[C@H](Oc1[n-]ncc(=O)c1Cl)C(=O)OCC	ZINC001228389693	805441737	/nfs/dbraw/zinc/44/17/37/805441737.db2.gz	FDBPKMBYOPHVMF-ZETCQYMHSA-N	-1	0	256.645	0.779	20	30		CCEDRM
C=C(C)C(=O)OC[C@@H](C)Oc1[n-]c(=O)nc2ncn(C)c21	ZINC001228677092	805469389	/nfs/dbraw/zinc/46/93/89/805469389.db2.gz	NPOCDNYTUMCQLI-MRVPVSSYSA-N	-1	0	292.295	0.956	20	30		CCEDRM
COc1cc(=O)[n-]c(O[C@@H]2CCN(CC#N)C2)n1	ZINC001228919004	805489311	/nfs/dbraw/zinc/48/93/11/805489311.db2.gz	UCOFLACSUIGDEN-MRVPVSSYSA-N	-1	0	250.258	0.167	20	30		CCEDRM
CC1=C(Oc2[nH]c(=O)[n-]c(=O)c2F)C(=O)[C@@H](C)O1	ZINC001229119674	805505567	/nfs/dbraw/zinc/50/55/67/805505567.db2.gz	MPJBJHVUYRWVRU-GSVOUGTGSA-N	-1	0	256.189	0.625	20	30		CCEDRM
COC(=O)c1cnc(=O)[nH]c1OC1=C(C)O[C@H](C)C1=O	ZINC001229873811	805564809	/nfs/dbraw/zinc/56/48/09/805564809.db2.gz	YGPUZPWSTWESPY-RXMQYKEDSA-N	-1	0	280.236	0.567	20	30		CCEDRM
N#Cc1cc2c(nc1-c1cnn(CC(=O)[O-])c1)CCOC2	ZINC001242183779	806995121	/nfs/dbraw/zinc/99/51/21/806995121.db2.gz	UIOOYLAKQLQEJC-UHFFFAOYSA-N	-1	0	284.275	0.974	20	30		CCEDRM
N#CCSCC(=O)[N-]S(=O)(=O)c1ccccc1C#N	ZINC001248693510	807519857	/nfs/dbraw/zinc/51/98/57/807519857.db2.gz	SBYFVJBTIZAOPP-UHFFFAOYSA-N	-1	0	295.345	0.620	20	30		CCEDRM
C#CCOC[C@@H](O)CNc1ccc(S(=O)(=O)[O-])cc1	ZINC001251867578	807727781	/nfs/dbraw/zinc/72/77/81/807727781.db2.gz	JOKTWVJDYMGPTE-NSHDSACASA-N	-1	0	285.321	0.356	20	30		CCEDRM
Cn1cnc(C#N)c1[N-]S(=O)(=O)C(F)(F)F	ZINC001252286811	807803062	/nfs/dbraw/zinc/80/30/62/807803062.db2.gz	SKHACJIIVNKMGD-UHFFFAOYSA-N	-1	0	254.193	0.553	20	30		CCEDRM
Cc1noc(C)c1S(=O)(=O)[N-]c1cncc(C#N)n1	ZINC001258511522	808693427	/nfs/dbraw/zinc/69/34/27/808693427.db2.gz	ZUYYYVPDQUOLRE-UHFFFAOYSA-N	-1	0	279.281	0.754	20	30		CCEDRM
C#Cc1cc([N-]S(=O)(=O)c2cn(C)cn2)ccn1	ZINC001258992877	808708705	/nfs/dbraw/zinc/70/87/05/808708705.db2.gz	OZINFKWTDXLMEF-UHFFFAOYSA-N	-1	0	262.294	0.019	20	30		CCEDRM
COC(=O)CS(=O)(=O)[N-]c1ccc(Cl)nc1C#N	ZINC001259017991	808717826	/nfs/dbraw/zinc/71/78/26/808717826.db2.gz	NXPIQJGRGVGIRY-UHFFFAOYSA-N	-1	0	289.700	0.521	20	30		CCEDRM
N#Cc1cnc([N-]S(=O)(=O)c2cccnc2)cn1	ZINC001259601654	808760953	/nfs/dbraw/zinc/76/09/53/808760953.db2.gz	LSOSUDTYRSIXGA-UHFFFAOYSA-N	-1	0	261.266	0.544	20	30		CCEDRM
N#Cc1ccnnc1[N-]S(=O)(=O)c1cccnc1	ZINC001259602479	808761174	/nfs/dbraw/zinc/76/11/74/808761174.db2.gz	CQZHERZHPBASSM-UHFFFAOYSA-N	-1	0	261.266	0.544	20	30		CCEDRM
Cn1cc(S(=O)(=O)[N-]c2cccnc2C#N)cn1	ZINC001259820381	808775786	/nfs/dbraw/zinc/77/57/86/808775786.db2.gz	QJVSONOUNJZGMB-UHFFFAOYSA-N	-1	0	263.282	0.488	20	30		CCEDRM
C#Cc1nccnc1[N-]S(=O)(=O)c1cnn(CC)c1	ZINC001259832056	808782759	/nfs/dbraw/zinc/78/27/59/808782759.db2.gz	CCOMXUHZMONCSA-UHFFFAOYSA-N	-1	0	277.309	0.475	20	30		CCEDRM
C=CCS(=O)(=O)[N-]c1cc(OC)ccc1C(N)=O	ZINC001259930696	808808492	/nfs/dbraw/zinc/80/84/92/808808492.db2.gz	AGZYAADJNZBPLY-UHFFFAOYSA-N	-1	0	270.310	0.722	20	30		CCEDRM
Cc1nn(C)c(C)c1S(=O)(=O)[N-]c1ccnc(C#N)c1	ZINC001260105424	808851788	/nfs/dbraw/zinc/85/17/88/808851788.db2.gz	WQWHRVDUMHSCJL-UHFFFAOYSA-N	-1	0	291.336	0.526	20	30		CCEDRM
Cc1nn(C)c(C)c1S(=O)(=O)[N-]c1cn(C)nc1C#N	ZINC001260105663	808852888	/nfs/dbraw/zinc/85/28/88/808852888.db2.gz	NHPPTPIJTKYETB-UHFFFAOYSA-N	-1	0	294.340	0.443	20	30		CCEDRM
C[C@H](C#N)N(C)S(=O)(=O)c1ccc(C(=O)[O-])cc1	ZINC001260226376	808856908	/nfs/dbraw/zinc/85/69/08/808856908.db2.gz	JUNLTXYXKYXEMM-MRVPVSSYSA-N	-1	0	268.294	0.917	20	30		CCEDRM
C#CC1(NS(=O)(=O)c2ccc(C(=O)[O-])cc2)CC1	ZINC001260231761	808857050	/nfs/dbraw/zinc/85/70/50/808857050.db2.gz	YUQWPVKJWKHRPE-UHFFFAOYSA-N	-1	0	265.290	0.829	20	30		CCEDRM
Cc1nc(S(=O)(=O)[N-]c2oncc2C#N)cn1C	ZINC001260541862	808863161	/nfs/dbraw/zinc/86/31/61/808863161.db2.gz	DOJYHJPWZMUGJX-UHFFFAOYSA-N	-1	0	267.270	0.389	20	30		CCEDRM
C[C@@H]1C[C@H](C(=O)[O-])CCC1=NN1CC(=O)N(C)C1=O	ZINC001261236779	808935037	/nfs/dbraw/zinc/93/50/37/808935037.db2.gz	WJWXGWYSOXCGKX-HTQZYQBOSA-N	-1	0	267.285	0.757	20	30		CCEDRM
C=CC[C@H](NC(=O)CCc1ccnc(C)n1)C(=O)[O-]	ZINC001262177557	809223325	/nfs/dbraw/zinc/22/33/25/809223325.db2.gz	YQXKMXCCCDELJH-NSHDSACASA-N	-1	0	263.297	0.863	20	30		CCEDRM
C=C(C)C[C@H](NC(=O)CCc1ccn(C)n1)C(=O)[O-]	ZINC001262178765	809224009	/nfs/dbraw/zinc/22/40/09/809224009.db2.gz	PZYKMGUDWDURMA-NSHDSACASA-N	-1	0	265.313	0.888	20	30		CCEDRM
COCCn1cc(C([O-])=C(C#N)C(=O)NC(C)C)c(C)n1	ZINC001263292556	809504257	/nfs/dbraw/zinc/50/42/57/809504257.db2.gz	KNJBJKXFJBLVQL-LLVKDONJSA-N	-1	0	292.339	0.685	20	30		CCEDRM
N#Cc1ccc(CCOC(=O)[C@@H](O)CC(=O)[O-])cc1	ZINC001224654381	815410089	/nfs/dbraw/zinc/41/00/89/815410089.db2.gz	RMHVPKRZOFUAKV-NSHDSACASA-N	-1	0	263.249	0.480	20	30		CCEDRM
COCOc1ccc(NC(=N[O-])c2nonc2N)cc1	ZINC001211628541	811329304	/nfs/dbraw/zinc/32/93/04/811329304.db2.gz	AEGVYCCJPMNVNB-UHFFFAOYSA-N	-1	0	279.256	0.882	20	30		CCEDRM
CC1=C(Oc2[nH]c(=O)[n-]c(=O)c2F)C(=O)[C@H](C)O1	ZINC001229119675	814918517	/nfs/dbraw/zinc/91/85/17/814918517.db2.gz	MPJBJHVUYRWVRU-VKHMYHEASA-N	-1	0	256.189	0.625	20	30		CCEDRM
C=CCOC[C@@H](CS(=O)(=O)[O-])OCC1(C#N)CC1	ZINC001224949199	815773655	/nfs/dbraw/zinc/77/36/55/815773655.db2.gz	YZVVHAPEWHCHDC-JTQLQIEISA-N	-1	0	275.326	0.766	20	30		CCEDRM
CC(=O)Nc1nc(C([O-])=C(C#N)C(=O)NC(C)C)cs1	ZINC000130792988	817302174	/nfs/dbraw/zinc/30/21/74/817302174.db2.gz	QSZLCFFUHUZONT-MRVPVSSYSA-N	-1	0	294.336	0.949	20	30		CCEDRM
CNC(=O)C(C#N)=C([O-])c1ccc(N2CCCC2=O)cc1	ZINC000133237342	818234624	/nfs/dbraw/zinc/23/46/24/818234624.db2.gz	ISYHTMXJSMZWLH-GFCCVEGCSA-N	-1	0	285.303	0.882	20	30		CCEDRM
Cc1nnc([S-])n(N=Cc2cnc3n2CCC3)c1=O	ZINC001118525774	820591390	/nfs/dbraw/zinc/59/13/90/820591390.db2.gz	VCUYHQZERKTLDR-UHFFFAOYSA-N	-1	0	276.325	0.260	20	30		CCEDRM
C=CC[C@@H](NC(=O)NCCC[C@@H](C)CO)C(=O)[O-]	ZINC001119578287	821375643	/nfs/dbraw/zinc/37/56/43/821375643.db2.gz	UAURKTBYJHOMJG-NXEZZACHSA-N	-1	0	258.318	0.724	20	30		CCEDRM
COc1nc(N[C@@H]2SC(=O)[N-]C2=O)c(F)cc1C#N	ZINC001155844666	822261913	/nfs/dbraw/zinc/26/19/13/822261913.db2.gz	RLGVNCFJDKPYKL-SECBINFHSA-N	-1	0	282.256	0.822	20	30		CCEDRM
C[C@@H](CNc1cncc(C#N)n1)NC(=O)c1cnc[nH]c1=O	ZINC001108587076	836480755	/nfs/dbraw/zinc/48/07/55/836480755.db2.gz	KLZKOMSWSABGFA-QMMMGPOBSA-N	-1	0	299.294	0.074	20	30		CCEDRM
C=CCOCCN1CCN(C(=O)c2n[nH]c(C)c2[O-])CC1	ZINC001112768294	836903997	/nfs/dbraw/zinc/90/39/97/836903997.db2.gz	VUANJGUYORZWPO-UHFFFAOYSA-N	-1	0	294.355	0.384	20	30		CCEDRM
C=C[C@@H](C)[C@@H](C)C(=O)N1CCN(Cc2n[nH]c(=O)[n-]2)CC1	ZINC001113229041	837062622	/nfs/dbraw/zinc/06/26/22/837062622.db2.gz	BQVLUFPRGPVDGM-GHMZBOCLSA-N	-1	0	293.371	0.613	20	30		CCEDRM
N#C[C@@H](Nc1ncc(Cl)cc1C(=O)[O-])C(N)=O	ZINC001170536931	837987780	/nfs/dbraw/zinc/98/77/80/837987780.db2.gz	AJJFOSLAWOGNAH-ZCFIWIBFSA-N	-1	0	254.633	0.223	20	30		CCEDRM
N#Cc1ccnnc1[N-]S(=O)(=O)c1cnc(Cl)nc1	ZINC001185003565	844327636	/nfs/dbraw/zinc/32/76/36/844327636.db2.gz	FLRQWWMWMHGIFH-UHFFFAOYSA-N	-1	0	296.699	0.592	20	30		CCEDRM
Cc1[nH]nc(C(=O)N2CC[C@@H](C)[C@@H](CNCC#N)C2)c1[O-]	ZINC001132751725	838486507	/nfs/dbraw/zinc/48/65/07/838486507.db2.gz	KNTVSNYJSCIYTN-KOLCDFICSA-N	-1	0	291.355	0.635	20	30		CCEDRM
C#CCCc1cc(=O)n(C(=O)C(OC)(OC)OC)[n-]1	ZINC001245951410	839573561	/nfs/dbraw/zinc/57/35/61/839573561.db2.gz	CDSZVZKKFVNUEY-UHFFFAOYSA-N	-1	0	268.269	0.388	20	30		CCEDRM
COCC#CC(=O)Nc1cccc(-c2nc(=O)o[n-]2)c1	ZINC001136559084	839657608	/nfs/dbraw/zinc/65/76/08/839657608.db2.gz	NALRUCSDSJFEBY-UHFFFAOYSA-N	-1	0	273.248	0.618	20	30		CCEDRM
N#Cc1nc(NC(=O)c2coc(CO)c2)[n-]c1C#N	ZINC001143815394	839882896	/nfs/dbraw/zinc/88/28/96/839882896.db2.gz	VAHPKVQBWVPAOH-UHFFFAOYSA-N	-1	0	257.209	0.491	20	30		CCEDRM
Cc1ncc(CO)c(C(=O)Nc2nnccc2C#N)c1[O-]	ZINC001147833063	840694760	/nfs/dbraw/zinc/69/47/60/840694760.db2.gz	CQJRLBLVMQBAJN-UHFFFAOYSA-N	-1	0	285.263	0.502	20	30		CCEDRM
C=CCOC[C@H](CS(=O)(=O)[O-])OCCCC(=O)OC	ZINC001206216501	842157790	/nfs/dbraw/zinc/15/77/90/842157790.db2.gz	NHPQCPZDYMPHKF-SNVBAGLBSA-N	-1	0	296.341	0.415	20	30		CCEDRM
N#CCc1cccc(NC(=O)Cn2nn[n-]c2=S)c1	ZINC001177741110	842664689	/nfs/dbraw/zinc/66/46/89/842664689.db2.gz	TZRPCSSIWMBYFS-UHFFFAOYSA-N	-1	0	274.309	0.667	20	30		CCEDRM
COc1cccc(NC(=O)Cn2nn[n-]c2=S)c1C#N	ZINC001177741034	842665128	/nfs/dbraw/zinc/66/51/28/842665128.db2.gz	PVKPGMSLZQZOKE-UHFFFAOYSA-N	-1	0	290.308	0.481	20	30		CCEDRM
N#Cc1cccc(CCC(=O)NCS(=O)(=O)[O-])c1	ZINC001182341560	843775176	/nfs/dbraw/zinc/77/51/76/843775176.db2.gz	SEQJOHIZJSASKC-UHFFFAOYSA-N	-1	0	268.294	0.452	20	30		CCEDRM
N#Cc1cccc(CCC(=O)N[C@H]2SC(=O)[N-]C2=O)c1	ZINC001182341715	843775312	/nfs/dbraw/zinc/77/53/12/843775312.db2.gz	VNSJAIPTJZCCHK-LBPRGKRZSA-N	-1	0	289.316	0.916	20	30		CCEDRM
Cc1oncc1S(=O)(=O)[N-]c1ccnc(C#N)c1	ZINC001187327511	844693803	/nfs/dbraw/zinc/69/38/03/844693803.db2.gz	CIWGWQWYTQMAPG-UHFFFAOYSA-N	-1	0	264.266	0.472	20	30		CCEDRM
CCOC(=O)CNC(=O)Nc1cc(C#N)ccc1[O-]	ZINC001189904716	845261366	/nfs/dbraw/zinc/26/13/66/845261366.db2.gz	KQNJPJZTUNGJQT-UHFFFAOYSA-N	-1	0	263.253	0.948	20	30		CCEDRM
N#Cc1ccccc1CNS(=O)(=O)c1ncc[n-]1	ZINC001190745920	845487396	/nfs/dbraw/zinc/48/73/96/845487396.db2.gz	RUYOZBFZOTXDFE-UHFFFAOYSA-N	-1	0	262.294	0.760	20	30		CCEDRM
N#Cc1ccc(CNS(=O)(=O)c2ncc[n-]2)s1	ZINC001190749106	845489850	/nfs/dbraw/zinc/48/98/50/845489850.db2.gz	RCUQTFDKXNZHEK-UHFFFAOYSA-N	-1	0	268.323	0.821	20	30		CCEDRM
C=CCC1(S(=O)(=O)[N-]c2oncc2C(N)=O)CC1	ZINC001190773848	845494339	/nfs/dbraw/zinc/49/43/39/845494339.db2.gz	SDCYAZVJMGXXPG-UHFFFAOYSA-N	-1	0	271.298	0.624	20	30		CCEDRM
COc1cc(C#N)ccc1C(=O)N[C@H]1SC(=O)[N-]C1=O	ZINC001192268277	845811207	/nfs/dbraw/zinc/81/12/07/845811207.db2.gz	IPLPASQMTZASMV-NSHDSACASA-N	-1	0	291.288	0.606	20	30		CCEDRM
N#CCS(=O)(=O)[N-]c1cn(CC(F)(F)F)cn1	ZINC001192952179	845934523	/nfs/dbraw/zinc/93/45/23/845934523.db2.gz	YVUBZTNWEDWJHL-UHFFFAOYSA-N	-1	0	268.220	0.711	20	30		CCEDRM
CCOC(=O)c1cccc([N-]S(=O)(=O)CC#N)n1	ZINC001192939731	845943398	/nfs/dbraw/zinc/94/33/98/845943398.db2.gz	XIFDFANZENCTKL-UHFFFAOYSA-N	-1	0	269.282	0.524	20	30		CCEDRM
COc1cc([N-]S(=O)(=O)CC#N)cc(C(N)=O)c1	ZINC001192986074	845945612	/nfs/dbraw/zinc/94/56/12/845945612.db2.gz	UBWOKUPUELTGPT-UHFFFAOYSA-N	-1	0	269.282	0.059	20	30		CCEDRM
CC1(C)NC(=O)c2cc([N-]S(=O)(=O)CC#N)ccc21	ZINC001192988351	845946824	/nfs/dbraw/zinc/94/68/24/845946824.db2.gz	MVCHJBRVGDZZMG-UHFFFAOYSA-N	-1	0	279.321	0.930	20	30		CCEDRM
CCOC(=O)[C@@H]([N-]S(=O)(=O)CC#N)c1cccnc1	ZINC001193003157	845952728	/nfs/dbraw/zinc/95/27/28/845952728.db2.gz	ZRSDRSPCJXEXBW-JTQLQIEISA-N	-1	0	283.309	0.129	20	30		CCEDRM
C[C@@H](C#N)S(=O)(=O)[N-]c1cnn(C2CCOCC2)c1	ZINC001193105700	845979296	/nfs/dbraw/zinc/97/92/96/845979296.db2.gz	ZXSNWTDCBZXQKG-VIFPVBQESA-N	-1	0	284.341	0.888	20	30		CCEDRM
CCc1cc2ncc([N-]S(=O)(=O)[C@H](C)C#N)cn2n1	ZINC001193112220	845980449	/nfs/dbraw/zinc/98/04/49/845980449.db2.gz	PCVAGDMYZHGQRX-MRVPVSSYSA-N	-1	0	279.325	0.945	20	30		CCEDRM
C[C@H](C#N)S(=O)(=O)[N-]c1cnc2nccn2c1	ZINC001193111858	845980632	/nfs/dbraw/zinc/98/06/32/845980632.db2.gz	MGLNTSMMUGBERY-SSDOTTSWSA-N	-1	0	251.271	0.383	20	30		CCEDRM
C[C@@H](C#N)S(=O)(=O)[N-]c1cn(C2CCOCC2)cn1	ZINC001193112336	845981551	/nfs/dbraw/zinc/98/15/51/845981551.db2.gz	RFGFCTZVNJKISZ-VIFPVBQESA-N	-1	0	284.341	0.888	20	30		CCEDRM
COC(=O)n1ncc(C#N)c1[N-]S(=O)(=O)[C@@H](C)C#N	ZINC001193173598	845996692	/nfs/dbraw/zinc/99/66/92/845996692.db2.gz	RDOUIGIOILZWJG-LURJTMIESA-N	-1	0	283.269	0.023	20	30		CCEDRM
C[C@H](C#N)S(=O)(=O)[N-]c1cccc(F)c1C(N)=O	ZINC001193146500	846005206	/nfs/dbraw/zinc/00/52/06/846005206.db2.gz	OIPDZDRLOZUDQX-ZCFIWIBFSA-N	-1	0	271.273	0.578	20	30		CCEDRM
C[C@@H](C#N)S(=O)(=O)[N-]c1ccc2c(c1)CCN(C)C2=O	ZINC001193161090	846009964	/nfs/dbraw/zinc/00/99/64/846009964.db2.gz	LAVRXQDBYDGFQM-VIFPVBQESA-N	-1	0	293.348	0.968	20	30		CCEDRM
COc1ncnc([N-]S(=O)(=O)C[C@H]2CCCO2)c1C#N	ZINC001193212236	846022548	/nfs/dbraw/zinc/02/25/48/846022548.db2.gz	BMZWTKWPMYGRNI-MRVPVSSYSA-N	-1	0	298.324	0.278	20	30		CCEDRM
N#C[C@@H]1CNCCN1C(=O)c1ccc(O)c(O)c1Cl	ZINC001193220347	846023687	/nfs/dbraw/zinc/02/36/87/846023687.db2.gz	SSBAITSZTGFKBW-SSDOTTSWSA-N	-1	0	281.699	0.689	20	30		CCEDRM
N#Cc1cc(C(=O)n2c(=N)c(N)cnc2Cl)ccc1[O-]	ZINC001193497822	846094222	/nfs/dbraw/zinc/09/42/22/846094222.db2.gz	BHFFJZJNNCGXOY-UHFFFAOYSA-N	-1	0	289.682	0.864	20	30		CCEDRM
COC(=O)n1ncc(C#N)c1[N-]S(=O)(=O)CC1CCC1	ZINC001193533521	846094977	/nfs/dbraw/zinc/09/49/77/846094977.db2.gz	KAEYYBRVLVDURN-UHFFFAOYSA-N	-1	0	298.324	0.911	20	30		CCEDRM
N#Cc1cc(C(=O)N[C@@H]2CCS(=O)(=O)C2)ccc1[O-]	ZINC001193511535	846100972	/nfs/dbraw/zinc/10/09/72/846100972.db2.gz	BXCNSDUKDYBOOY-SNVBAGLBSA-N	-1	0	280.305	0.181	20	30		CCEDRM
Cc1cc(N(C(=N)N)C(=O)c2ccc([O-])c(C#N)c2)n[nH]1	ZINC001193519370	846103033	/nfs/dbraw/zinc/10/30/33/846103033.db2.gz	WVNCNEJHCHFPJN-UHFFFAOYSA-N	-1	0	284.279	0.836	20	30		CCEDRM
CC1(C)C(=O)NC[C@H]1NC(=O)c1ccc([O-])c(C#N)c1	ZINC001193518691	846103531	/nfs/dbraw/zinc/10/35/31/846103531.db2.gz	FDSSGXJJXDHKAS-LLVKDONJSA-N	-1	0	273.292	0.518	20	30		CCEDRM
Cn1ccnc1S(=O)(=O)[N-]c1cnccc1C#N	ZINC001193557930	846118372	/nfs/dbraw/zinc/11/83/72/846118372.db2.gz	WILDJXRRKYDUPF-UHFFFAOYSA-N	-1	0	263.282	0.488	20	30		CCEDRM
CCN=c1ncc(N)cn1C(=O)c1cccc(C#N)c1[O-]	ZINC001193642918	846134867	/nfs/dbraw/zinc/13/48/67/846134867.db2.gz	SFUAAUOZULQTOT-UHFFFAOYSA-N	-1	0	283.291	0.652	20	30		CCEDRM
CCOc1cc(N)n(C(=O)c2cccc(C#N)c2[O-])c(=N)n1	ZINC001193643114	846135537	/nfs/dbraw/zinc/13/55/37/846135537.db2.gz	WNMKCGRDCGKMFG-UHFFFAOYSA-N	-1	0	299.290	0.609	20	30		CCEDRM
N#Cc1ccc(C(=O)NCCn2ccnc2)c([O-])c1	ZINC001195733815	846604465	/nfs/dbraw/zinc/60/44/65/846604465.db2.gz	WSUXCBQWBOUGSH-UHFFFAOYSA-N	-1	0	256.265	0.890	20	30		CCEDRM
COC(=O)[C@@H]1C[C@@H]1CNC(=O)c1ccc(C#N)cc1[O-]	ZINC001195768257	846615470	/nfs/dbraw/zinc/61/54/70/846615470.db2.gz	KWKSOFFOPMWSFK-MWLCHTKSSA-N	-1	0	274.276	0.803	20	30		CCEDRM
CCN=c1ncc(N)cn1C(=O)c1ccc(C#N)cc1[O-]	ZINC001195741341	846620140	/nfs/dbraw/zinc/62/01/40/846620140.db2.gz	SEONLZLGRQPUSL-UHFFFAOYSA-N	-1	0	283.291	0.652	20	30		CCEDRM
CCOc1cncc(C(=O)N(O)C(=N)c2nonc2N)c1	ZINC001197607364	846939625	/nfs/dbraw/zinc/93/96/25/846939625.db2.gz	PNJOMPFCIPWQOV-UHFFFAOYSA-N	-1	0	292.255	0.302	20	30		CCEDRM
N#Cc1cccc(NC(=S)N[C@@H]2CO[N-]C2=O)c1	ZINC001197726497	846956311	/nfs/dbraw/zinc/95/63/11/846956311.db2.gz	MEKVCVFRDONZMX-SECBINFHSA-N	-1	0	262.294	0.275	20	30		CCEDRM
C=CCSc1ncccc1C(=O)N=c1nn[n-]n1C	ZINC001199735777	847429927	/nfs/dbraw/zinc/42/99/27/847429927.db2.gz	LIAFKUVNPKVKST-UHFFFAOYSA-N	-1	0	276.325	0.557	20	30		CCEDRM
COC(=O)CCCS(=O)(=O)[N-]c1ncc(C#N)nc1C	ZINC001201905228	847832266	/nfs/dbraw/zinc/83/22/66/847832266.db2.gz	KQKLOBHDDMWUTO-UHFFFAOYSA-N	-1	0	298.324	0.352	20	30		CCEDRM
C=CCOC[C@@H](CS(=O)(=O)[O-])OC[C@H](C)CO	ZINC001205962392	848082458	/nfs/dbraw/zinc/08/24/58/848082458.db2.gz	CDAHNKMCVRDYGD-ZJUUUORDSA-N	-1	0	268.331	0.090	20	30		CCEDRM
C=C(C)CCC(=O)NCC=CCNCc1n[nH]c(=O)[n-]1	ZINC001274069410	848338820	/nfs/dbraw/zinc/33/88/20/848338820.db2.gz	RBMZQOCCGLGLDR-ARJAWSKDSA-N	-1	0	279.344	0.629	20	30		CCEDRM
C=C[C@@H]1OCC[C@H]1C(=O)N1CCC[C@@H](c2nnn[n-]2)C1	ZINC001138658628	849180530	/nfs/dbraw/zinc/18/05/30/849180530.db2.gz	AACDIXUJRJBEAT-MXWKQRLJSA-N	-1	0	277.328	0.497	20	30		CCEDRM
C=CCN(C(=O)c1cn(CC(=O)[O-])nn1)[C@H](C)COC	ZINC000691845177	849185771	/nfs/dbraw/zinc/18/57/71/849185771.db2.gz	RSYHPIZGDWPVJY-SECBINFHSA-N	-1	0	282.300	0.026	20	30		CCEDRM
N#Cc1cccc(NC(=O)N[C@@H]2SC(=O)[N-]C2=O)c1	ZINC001202790611	849780773	/nfs/dbraw/zinc/78/07/73/849780773.db2.gz	IUVMHHRWMSSNIF-SECBINFHSA-N	-1	0	276.277	0.989	20	30		CCEDRM
Cc1n[nH]c(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3CC#N)c1[O-]	ZINC001096962826	852474005	/nfs/dbraw/zinc/47/40/05/852474005.db2.gz	NKIYGITUFPZAIK-BBBLOLIVSA-N	-1	0	275.312	0.282	20	30		CCEDRM
C=C(C)CN1CCOC[C@@H]1CNC(=O)c1[nH]nc(C)c1[O-]	ZINC001050866307	853467023	/nfs/dbraw/zinc/46/70/23/853467023.db2.gz	UQOCBNJZCSTDQY-NSHDSACASA-N	-1	0	294.355	0.430	20	30		CCEDRM
C=CCCN1CCOC[C@@H]1CNC(=O)c1[nH]nc(C)c1[O-]	ZINC001050866695	853467315	/nfs/dbraw/zinc/46/73/15/853467315.db2.gz	ZQJOGAJTCFXTQB-NSHDSACASA-N	-1	0	294.355	0.430	20	30		CCEDRM
CNC(=O)C(C#N)=C([O-])c1ccc(OC)c([N+](=O)[O-])c1	ZINC000133206674	853827218	/nfs/dbraw/zinc/82/72/18/853827218.db2.gz	IGJAQZXRAXYWFE-MRVPVSSYSA-N	-1	0	277.236	0.672	20	30		CCEDRM
C#CC[C@@H](NC(=O)c1ccc(OC)c(OC)c1)C(=O)[O-]	ZINC000149545241	853987010	/nfs/dbraw/zinc/98/70/10/853987010.db2.gz	LZRRWLGXSSBGMY-SNVBAGLBSA-N	-1	0	277.276	0.910	20	30		CCEDRM
C=CCCCC(=O)N1CCC[C@@H](NC(=O)c2cn[nH]n2)C1	ZINC001071214922	854137371	/nfs/dbraw/zinc/13/73/71/854137371.db2.gz	IYHHODTYHBYOII-LLVKDONJSA-N	-1	0	291.355	0.882	20	30		CCEDRM
C#CCOc1ccc(C(=O)[N-]S(=O)(=O)C(F)F)cc1	ZINC001116154953	855724908	/nfs/dbraw/zinc/72/49/08/855724908.db2.gz	YZRAQRDEVSMLFM-UHFFFAOYSA-N	-1	0	289.259	0.981	20	30		CCEDRM
N#CCC1(CNC(=O)C(=O)[N-]OCCC(F)(F)F)CC1	ZINC001117724717	856060354	/nfs/dbraw/zinc/06/03/54/856060354.db2.gz	KJSGAHINJICCTA-UHFFFAOYSA-N	-1	0	293.245	0.797	20	30		CCEDRM
C=CC(C)(C)CC(=O)[N-]S(=O)(=O)c1cn(C)cn1	ZINC001119431965	856683798	/nfs/dbraw/zinc/68/37/98/856683798.db2.gz	LBCMMLPXSBTFOO-UHFFFAOYSA-N	-1	0	271.342	0.827	20	30		CCEDRM
N#CC1(C(=O)N2C[C@H]3[C@H](C(=O)[O-])[C@H]3C2)CCOCC1	ZINC001119585464	856756833	/nfs/dbraw/zinc/75/68/33/856756833.db2.gz	PDSHDPWAIBODIF-MYJAWHEDSA-N	-1	0	264.281	0.096	20	30		CCEDRM
C=CCCC[C@@H](NC(=O)[C@@H](C)N1CCN(C)CC1)C(=O)[O-]	ZINC001119586321	856757878	/nfs/dbraw/zinc/75/78/78/856757878.db2.gz	FBOPQAPCCUEHEN-CHWSQXEVSA-N	-1	0	297.399	0.548	20	30		CCEDRM
N#Cc1ccc(NC(=O)C(=O)[N-]O[C@H]2CCCCO2)nc1	ZINC001324288001	912759268	/nfs/dbraw/zinc/75/92/68/912759268.db2.gz	CZKNAEGYGJGSME-NSHDSACASA-N	-1	0	290.279	0.466	20	30		CCEDRM
Cc1nnc(N=NC(C)C[C@@H]2CCC(=O)N2)[n-]c1=O	ZINC001324648542	912958779	/nfs/dbraw/zinc/95/87/79/912958779.db2.gz	LECIXKGWDOLENC-QMMMGPOBSA-N	-1	0	264.289	0.342	20	30		CCEDRM
C=CC[C@@H](CC)NC(=O)C(=O)[N-]OC[C@H]1CCOC1	ZINC001324711130	912989976	/nfs/dbraw/zinc/98/99/76/912989976.db2.gz	QCJATRKTBSAZMR-WDEREUQCSA-N	-1	0	270.329	0.542	20	30		CCEDRM
CCOc1ccccc1Cn1c(=O)[n-]cc(C#N)c1=O	ZINC001364614257	899007312	/nfs/dbraw/zinc/00/73/12/899007312.db2.gz	BKGKRWSCJCBCJX-UHFFFAOYSA-N	-1	0	271.276	0.855	20	30		CCEDRM
COC(=O)c1ccc(OC)c([N-]S(=O)(=O)[C@@H](C)C#N)n1	ZINC001193106754	900031572	/nfs/dbraw/zinc/03/15/72/900031572.db2.gz	JNGSPGQUZCDHEK-ZETCQYMHSA-N	-1	0	299.308	0.531	20	30		CCEDRM
C[C@@H](C#N)S(=O)(=O)[N-]c1nnc(Br)s1	ZINC001193106694	900032000	/nfs/dbraw/zinc/03/20/00/900032000.db2.gz	VMOLGJIRKWHKHO-VKHMYHEASA-N	-1	0	297.159	0.954	20	30		CCEDRM
C=C(C)CO[N-]C(=O)C(=O)Nc1nc(COC)cs1	ZINC001327325578	914481075	/nfs/dbraw/zinc/48/10/75/914481075.db2.gz	XVKXYAYXFOLXFO-UHFFFAOYSA-N	-1	0	285.325	0.852	20	30		CCEDRM
C=CC[C@@H](NC(=O)c1ccc(=O)n(CC)n1)C(=O)[O-]	ZINC001327013345	902010200	/nfs/dbraw/zinc/01/02/00/902010200.db2.gz	KGXQYRSQOKGDDB-SECBINFHSA-N	-1	0	265.269	0.022	20	30		CCEDRM
Cc1cc(C#N)c(=O)[n-]c1C(=O)N(C)[C@@H](C)C[S@@](C)=O	ZINC001412753178	902038453	/nfs/dbraw/zinc/03/84/53/902038453.db2.gz	UWIKMOIVUJILOF-GWNMQOMSSA-N	-1	0	295.364	0.806	20	30		CCEDRM
C[C@@H]1CC[C@@H](C(=O)NCCn2cc(C#N)c(=O)[n-]c2=O)C1	ZINC001413311943	902861214	/nfs/dbraw/zinc/86/12/14/902861214.db2.gz	RJLRAABGLBVQGT-NXEZZACHSA-N	-1	0	290.323	0.373	20	30		CCEDRM
CCN([C@H](C)C#N)S(=O)(=O)c1cc(C(=O)OC)[nH]n1	ZINC001413405857	902930262	/nfs/dbraw/zinc/93/02/62/902930262.db2.gz	WWKFIBJPTZURFO-SSDOTTSWSA-N	-1	0	286.313	0.119	20	30		CCEDRM
COCC(COC)S(=O)(=O)[N-]c1cccc(CC#N)n1	ZINC001413457975	902961830	/nfs/dbraw/zinc/96/18/30/902961830.db2.gz	LPHGVTOUPNEGQX-UHFFFAOYSA-N	-1	0	299.352	0.551	20	30		CCEDRM
C=C[C@H](C)O[N-]C(=O)C(=O)Nc1ccnc(C)n1	ZINC001329674505	903845532	/nfs/dbraw/zinc/84/55/32/903845532.db2.gz	DJUMRWKUQLWEJR-ZETCQYMHSA-N	-1	0	250.258	0.346	20	30		CCEDRM
N#Cc1nc(NC(=O)CCc2c[nH]cn2)[n-]c1C#N	ZINC001333302636	905915733	/nfs/dbraw/zinc/91/57/33/905915733.db2.gz	XMQZOBXLIQFDKV-UHFFFAOYSA-N	-1	0	255.241	0.447	20	30		CCEDRM
C=CCC[C@H](NC(=O)CO[C@H]1CCOC1)C(=O)[O-]	ZINC001333334558	905945402	/nfs/dbraw/zinc/94/54/02/905945402.db2.gz	LDKDFQDYRAODCQ-UWVGGRQHSA-N	-1	0	257.286	0.328	20	30		CCEDRM
CCN(CC(C)(C)C)c1[n-]c(=O)n(C)c(=O)c1C#N	ZINC001337178761	921209068	/nfs/dbraw/zinc/20/90/68/921209068.db2.gz	IFHQHDRWIXBZDL-UHFFFAOYSA-N	-1	0	264.329	0.818	20	30		CCEDRM
CC(C)[C@@H](C#N)NC(=O)c1cccc(-n2[n-]nnc2=N)c1	ZINC001296765895	906958604	/nfs/dbraw/zinc/95/86/04/906958604.db2.gz	XNOPMHDSZVTRRT-LLVKDONJSA-N	-1	0	285.311	0.353	20	30		CCEDRM
C#CCN(C(=O)c1cc(S(N)(=O)=O)ccc1[O-])C(C)C	ZINC001303928354	908127037	/nfs/dbraw/zinc/12/70/37/908127037.db2.gz	HVWRPHAEGQABTG-UHFFFAOYSA-N	-1	0	296.348	0.523	20	30		CCEDRM
CO[N-]C(=O)CNC(=O)NCC1CCC(C#N)CC1	ZINC001312567394	908608234	/nfs/dbraw/zinc/60/82/34/908608234.db2.gz	LNWQZSLBOOHVSA-UHFFFAOYSA-N	-1	0	268.317	0.293	20	30		CCEDRM
CCN(C[C@H](C)C#N)C(=O)c1cccc(-n2[n-]nnc2=N)c1	ZINC001417612954	921452271	/nfs/dbraw/zinc/45/22/71/921452271.db2.gz	MOAQULHUGOAJMF-SNVBAGLBSA-N	-1	0	299.338	0.697	20	30		CCEDRM
N#CCCN(Cc1ccco1)C(=O)CCc1nnn[n-]1	ZINC001417621998	921465147	/nfs/dbraw/zinc/46/51/47/921465147.db2.gz	WCAZKIGGAAPZMM-UHFFFAOYSA-N	-1	0	274.284	0.668	20	30		CCEDRM
Cc1cc(C#N)c(=O)[n-]c1C(=O)NC[C@@]1(O)CCSC1	ZINC001417664357	921504447	/nfs/dbraw/zinc/50/44/47/921504447.db2.gz	SIGPVFGYOMXRJI-ZDUSSCGKSA-N	-1	0	293.348	0.565	20	30		CCEDRM
N#CC1(C(=O)NCc2nc(=O)o[n-]2)CCCCC1	ZINC001319546078	910196009	/nfs/dbraw/zinc/19/60/09/910196009.db2.gz	XLSKUCHBYRUJRZ-UHFFFAOYSA-N	-1	0	250.258	0.453	20	30		CCEDRM
O=C(CC#Cc1ccccc1)OCc1n[nH]c(=O)[n-]1	ZINC001319797074	910296735	/nfs/dbraw/zinc/29/67/35/910296735.db2.gz	NOKDYSKUBCVSHG-UHFFFAOYSA-N	-1	0	257.249	0.995	20	30		CCEDRM
C=CC[C@H](NC(=O)[C@@H](C)NC(=O)C1CCCC1)C(=O)[O-]	ZINC001321166405	911129096	/nfs/dbraw/zinc/12/90/96/911129096.db2.gz	DNBBVPYTINMRQG-KOLCDFICSA-N	-1	0	282.340	0.827	20	30		CCEDRM
CCN(C(=O)[C@H](C)C#N)[C@H]1CCN(Cc2n[nH]c(=O)[n-]2)C1	ZINC001391635804	911286057	/nfs/dbraw/zinc/28/60/57/911286057.db2.gz	IJZPOZURESSSHS-ZJUUUORDSA-N	-1	0	292.343	0.093	20	30		CCEDRM
C=CCOC[C@@H](NCc1cn(C(C)(C)C)nn1)C(=O)[O-]	ZINC001339134596	921660236	/nfs/dbraw/zinc/66/02/36/921660236.db2.gz	NZZUJCOASMCAEN-LLVKDONJSA-N	-1	0	282.344	0.779	20	30		CCEDRM
C=CC[C@@H](NC(=O)c1cccc(=O)n1C)C(=O)[O-]	ZINC001321658439	911428533	/nfs/dbraw/zinc/42/85/33/911428533.db2.gz	ROIWSOPKMHUVBD-MRVPVSSYSA-N	-1	0	250.254	0.144	20	30		CCEDRM
Cc1cc(C#N)c(=O)[n-]c1C(=O)N[C@@H](C)c1nccc(N)n1	ZINC001417879391	921671276	/nfs/dbraw/zinc/67/12/76/921671276.db2.gz	RBKGXWBCIBDFKO-QMMMGPOBSA-N	-1	0	298.306	0.831	20	30		CCEDRM
C[C@H](CN(C)Cc1n[nH]c(=O)[n-]1)NC(=O)C#CC(C)(C)C	ZINC001322156482	911685532	/nfs/dbraw/zinc/68/55/32/911685532.db2.gz	JYRBOENJGVEMHX-SNVBAGLBSA-N	-1	0	293.371	0.496	20	30		CCEDRM
C=CC[C@@H](NC(=O)CCCCN1CCOCC1)C(=O)[O-]	ZINC001339524605	921748023	/nfs/dbraw/zinc/74/80/23/921748023.db2.gz	ZNCBHOOWILPBDC-GFCCVEGCSA-N	-1	0	284.356	0.634	20	30		CCEDRM
COc1ccc(C=Nn2cnnc2)c(OCC(=O)[O-])c1	ZINC001328420556	915183941	/nfs/dbraw/zinc/18/39/41/915183941.db2.gz	MLQQVMUAMDKOHM-UHFFFAOYSA-N	-1	0	276.252	0.632	20	30		CCEDRM
C=CCCO[N-]C(=O)c1ccc(=O)n(CCOC)n1	ZINC001328493579	915233677	/nfs/dbraw/zinc/23/36/77/915233677.db2.gz	FVYGIJXYUSQLGW-UHFFFAOYSA-N	-1	0	267.285	0.127	20	30		CCEDRM
C=CCCC(=O)N1CCC[C@H]1CN(C)Cc1n[nH]c(=O)[n-]1	ZINC001328707989	915371083	/nfs/dbraw/zinc/37/10/83/915371083.db2.gz	UNWSOXRNNGGWAW-NSHDSACASA-N	-1	0	293.371	0.899	20	30		CCEDRM
C=C[C@H](C)O[N-]C(=O)C(=O)Nc1ccn(CCC#N)n1	ZINC001328727802	915389541	/nfs/dbraw/zinc/38/95/41/915389541.db2.gz	OSPPCFVKTAZLNW-VIFPVBQESA-N	-1	0	277.284	0.358	20	30		CCEDRM
N#CCN(Cc1cc(=O)n2[n-]c(N)nc2n1)C1CCCC1	ZINC001328896511	915505414	/nfs/dbraw/zinc/50/54/14/915505414.db2.gz	LOTLBPISMHPPKQ-UHFFFAOYSA-N	-1	0	287.327	0.268	20	30		CCEDRM
C=CCC1(NC(=O)c2n[nH]c(=O)[n-]c2=O)CCOCC1	ZINC001329403508	915886053	/nfs/dbraw/zinc/88/60/53/915886053.db2.gz	ZTTJECAPCDZCSH-UHFFFAOYSA-N	-1	0	280.284	0.138	20	30		CCEDRM
C=C[C@@H](COC)NC(=O)c1ccc2oc(=O)nc-2[n-]1	ZINC001330788784	916867833	/nfs/dbraw/zinc/86/78/33/916867833.db2.gz	XUUOJDMFWHJHAS-ZETCQYMHSA-N	-1	0	263.253	0.859	20	30		CCEDRM
COC1CC(C(=O)[N-]S(=O)(=O)CCCC#N)C1	ZINC001331696814	917522455	/nfs/dbraw/zinc/52/24/55/917522455.db2.gz	QSKUBIOMRCBMKO-UHFFFAOYSA-N	-1	0	260.315	0.161	20	30		CCEDRM
C#CCOc1ccccc1C[NH2+][C@@H](COC)C(=O)[O-]	ZINC001332473997	918190234	/nfs/dbraw/zinc/19/02/34/918190234.db2.gz	VVNLIVJIHWYPFP-LBPRGKRZSA-N	-1	0	263.293	0.888	20	30		CCEDRM
C=CC[C@H](NC(=O)c1cncc(OCCOC)c1)C(=O)[O-]	ZINC001332613373	918312348	/nfs/dbraw/zinc/31/23/48/918312348.db2.gz	HAPQIFOSJVHBJE-LBPRGKRZSA-N	-1	0	294.307	0.866	20	30		CCEDRM
C=CC[C@H](NC(=O)N[C@@H]1C[C@@H](OCC)[C@@H]1OC)C(=O)[O-]	ZINC001333317827	918797767	/nfs/dbraw/zinc/79/77/67/918797767.db2.gz	IPOYXKOQDWFNES-LNFKQOIKSA-N	-1	0	286.328	0.507	20	30		CCEDRM
C=CC[C@H](NC(=O)c1csc(CO)n1)C(=O)[O-]	ZINC001333331674	918807984	/nfs/dbraw/zinc/80/79/84/918807984.db2.gz	FBPVYSLVQBPRSJ-LURJTMIESA-N	-1	0	256.283	0.395	20	30		CCEDRM
C=CCN(CC(=O)[O-])C(=O)[C@@H]1CCCc2nn(C)cc21	ZINC001333331633	918809798	/nfs/dbraw/zinc/80/97/98/918809798.db2.gz	CRQUDOMVXCZFOO-SNVBAGLBSA-N	-1	0	277.324	0.939	20	30		CCEDRM
CC#CCS(=O)(=O)[N-]C(=O)c1c2c(nn1C)CCCC2	ZINC001333648249	919071338	/nfs/dbraw/zinc/07/13/38/919071338.db2.gz	RYCYMAGEYDYHFI-UHFFFAOYSA-N	-1	0	295.364	0.382	20	30		CCEDRM
COc1cncc(C=CCCn2c(=O)[n-]cc(C#N)c2=O)c1	ZINC001413927399	919191248	/nfs/dbraw/zinc/19/12/48/919191248.db2.gz	CUMWTEPOSJQMCJ-RQOWECAXSA-N	-1	0	298.302	0.915	20	30		CCEDRM
CC(C)NC(=S)NN=Cc1cc(C(=O)[O-])cn1C	ZINC001334665133	919699582	/nfs/dbraw/zinc/69/95/82/919699582.db2.gz	CXSHMSPCERVSRY-UHFFFAOYSA-N	-1	0	268.342	0.930	20	30		CCEDRM
C=CC[C@@H](NC(=O)NCCn1cnnc1CC)C(=O)[O-]	ZINC001334961909	919865798	/nfs/dbraw/zinc/86/57/98/919865798.db2.gz	LYPQVZHARLLIJS-SECBINFHSA-N	-1	0	281.316	0.169	20	30		CCEDRM
Cc1nnc([S-])n(N=Cc2nccn2C2CC2)c1=O	ZINC001335208383	920024392	/nfs/dbraw/zinc/02/43/92/920024392.db2.gz	CHWOZDDWOPJQHE-UHFFFAOYSA-N	-1	0	276.325	0.649	20	30		CCEDRM
Cc1nc2c(c(=O)[nH]1)CN(c1nnccc1C#N)C2	ZINC001339791933	921832819	/nfs/dbraw/zinc/83/28/19/921832819.db2.gz	CTAXSDBSTNESFQ-UHFFFAOYSA-N	-1	0	254.253	0.673	20	30		CCEDRM
CO[C@H]1COCC[C@@H]1CC(=O)Nc1nc(C#N)c(C#N)[n-]1	ZINC001418237859	921954015	/nfs/dbraw/zinc/95/40/15/921954015.db2.gz	OAJOJAOADNKIBZ-KCJUWKMLSA-N	-1	0	289.295	0.533	20	30		CCEDRM
CNC(=O)C(C#N)=C([O-])c1ccc(C(=O)N(C)C)cc1	ZINC001341770871	922663924	/nfs/dbraw/zinc/66/39/24/922663924.db2.gz	ZBNWROFPFOMBAX-NSHDSACASA-N	-1	0	273.292	0.457	20	30		CCEDRM
CNC(=O)C(C#N)=C([O-])c1cnn2ccc(C)nc12	ZINC001341768324	922664681	/nfs/dbraw/zinc/66/46/81/922664681.db2.gz	KALGRUFZHWUHNY-MRVPVSSYSA-N	-1	0	257.253	0.106	20	30		CCEDRM
Cn1nncc1C([O-])=C(C#N)C(=O)NC1CCCC1	ZINC001341817175	922685238	/nfs/dbraw/zinc/68/52/38/922685238.db2.gz	AYAUVNSNXCPMMH-SECBINFHSA-N	-1	0	261.285	0.196	20	30		CCEDRM
C=CCn1c(-c2cc(=O)[nH][n-]2)nnc1N(C)CCCOC	ZINC001342241123	922872300	/nfs/dbraw/zinc/87/23/00/922872300.db2.gz	LFHDJRHKQSYLGQ-UHFFFAOYSA-N	-1	0	292.343	0.161	20	30		CCEDRM
COc1cc(C([O-])=C(C#N)C(=O)NC(C)C)nn1C	ZINC001342596192	923016308	/nfs/dbraw/zinc/01/63/08/923016308.db2.gz	XKUJJLLUCURWPO-QMMMGPOBSA-N	-1	0	264.285	0.276	20	30		CCEDRM
N#CC(=C([O-])c1cnn2c1OCCC2)c1ccncn1	ZINC001342691018	923053699	/nfs/dbraw/zinc/05/36/99/923053699.db2.gz	FPDZPVMPNIJBQX-SECBINFHSA-N	-1	0	269.264	0.946	20	30		CCEDRM
Cc1nocc1C([O-])=C(C#N)C(=O)c1nccn1C	ZINC001342718321	923062163	/nfs/dbraw/zinc/06/21/63/923062163.db2.gz	PZFOHNRVXCQCEK-MRVPVSSYSA-N	-1	0	258.237	0.922	20	30		CCEDRM
Cn1ccnc1C([O-])=C(C#N)C(=O)CC1(C)COC1	ZINC001342895283	923126176	/nfs/dbraw/zinc/12/61/76/923126176.db2.gz	OTWAYGXJMPVVGL-VIFPVBQESA-N	-1	0	261.281	0.738	20	30		CCEDRM
C=C(Cl)CNC(=O)NCCOCCOCC(=O)[O-]	ZINC001343134052	923212903	/nfs/dbraw/zinc/21/29/03/923212903.db2.gz	YOPMNRPKVNGTFH-UHFFFAOYSA-N	-1	0	280.708	0.156	20	30		CCEDRM
COCCNC(=O)C(C#N)=C([O-])c1ccc(Cl)nc1	ZINC001343376958	923291025	/nfs/dbraw/zinc/29/10/25/923291025.db2.gz	IPGBDFSMYJUNBB-SECBINFHSA-N	-1	0	281.699	0.820	20	30		CCEDRM
C#C[C@H](C)N(C)c1nnc(-c2cc(=O)[nH][n-]2)n1CC(C)C	ZINC001343539720	923368313	/nfs/dbraw/zinc/36/83/13/923368313.db2.gz	CKLMPUBTPDEZGK-JTQLQIEISA-N	-1	0	288.355	0.616	20	30		CCEDRM
N#CC(C(=O)NC1CC1)=C([O-])c1cc2n(n1)CCCC2	ZINC001343591717	923382706	/nfs/dbraw/zinc/38/27/06/923382706.db2.gz	XCJIGYCCZDZGMB-LLVKDONJSA-N	-1	0	272.308	0.820	20	30		CCEDRM
C[C@@]1(C#N)CN(C(=O)c2ccc(-c3nn[nH]n3)cn2)CCO1	ZINC001420291983	923510010	/nfs/dbraw/zinc/51/00/10/923510010.db2.gz	PAXGKQJKYWTFJM-CYBMUJFWSA-N	-1	0	299.294	0.016	20	30		CCEDRM
N#CC(=C([O-])c1cc2n(n1)CCCO2)c1ccncn1	ZINC001344037563	923536268	/nfs/dbraw/zinc/53/62/68/923536268.db2.gz	WKSGIIMMZCKDEY-VIFPVBQESA-N	-1	0	269.264	0.946	20	30		CCEDRM
C=CC[C@H](NC(=O)CNC(=O)NCc1ccco1)C(=O)[O-]	ZINC001344558395	923638208	/nfs/dbraw/zinc/63/82/08/923638208.db2.gz	ZLDHOEOXKZLWSJ-JTQLQIEISA-N	-1	0	295.295	0.224	20	30		CCEDRM
C#CC[C@H](NC(=O)[C@H]1Cc2cccnc2C1)C(=O)[O-]	ZINC001346312379	924154775	/nfs/dbraw/zinc/15/47/75/924154775.db2.gz	OTMKOWBTZMXKJG-QWRGUYRKSA-N	-1	0	258.277	0.389	20	30		CCEDRM
C=CCCn1cc(C(=O)N2CC[C@H]([C@H](F)C(=O)[O-])C2)nn1	ZINC001347563281	924481346	/nfs/dbraw/zinc/48/13/46/924481346.db2.gz	PHIBBFYMVRAYOP-ONGXEEELSA-N	-1	0	296.302	0.739	20	30		CCEDRM
C=C(C)[C@H]1OCC[C@H]1CNC(=O)C(=O)[N-]OCC(C)C	ZINC001347567112	924482580	/nfs/dbraw/zinc/48/25/80/924482580.db2.gz	GFQQSBSCDKHZKT-NWDGAFQWSA-N	-1	0	284.356	0.788	20	30		CCEDRM
COCCn1cc(C([O-])=C(C#N)c2cccc(F)n2)nn1	ZINC001347576255	924484378	/nfs/dbraw/zinc/48/43/78/924484378.db2.gz	VOKDAEVVOIKVLR-VIFPVBQESA-N	-1	0	289.270	0.949	20	30		CCEDRM
Cn1c(=O)[n-]c(N2CCC=C(F)C2)c(C#N)c1=O	ZINC001348073130	924589301	/nfs/dbraw/zinc/58/93/01/924589301.db2.gz	IQEXTAMNNCBGAY-UHFFFAOYSA-N	-1	0	250.233	0.009	20	30		CCEDRM
C#CC[C@H]1CCN(C(=O)c2c[n-]n3c2nccc3=O)C1	ZINC001348395654	924677049	/nfs/dbraw/zinc/67/70/49/924677049.db2.gz	CBEADQOWAXOOAO-JTQLQIEISA-N	-1	0	270.292	0.508	20	30		CCEDRM
C=CC[C@@H](NC(=O)[C@@H]1CCc2cnc(C)n2C1)C(=O)[O-]	ZINC001348489823	924704988	/nfs/dbraw/zinc/70/49/88/924704988.db2.gz	DMZKJSHDLPYZED-ZYHUDNBSSA-N	-1	0	277.324	0.899	20	30		CCEDRM
C=CCCn1cc(CN[C@@H](C(=O)[O-])[C@H]2CCCO2)nn1	ZINC001348503646	924708385	/nfs/dbraw/zinc/70/83/85/924708385.db2.gz	VWEMLGRYPLVHQN-VXGBXAGGSA-N	-1	0	280.328	0.576	20	30		CCEDRM
C=C(Cl)C[C@H](NC(=O)Cc1cc[nH]n1)C(=O)[O-]	ZINC001350781820	925278473	/nfs/dbraw/zinc/27/84/73/925278473.db2.gz	FPQMHMLDLSMOPH-QMMMGPOBSA-N	-1	0	257.677	0.664	20	30		CCEDRM
C=CC1(S(=O)(=O)[N-]C(=O)C[C@H]2COC(=O)C2)CC1	ZINC001352047676	925514131	/nfs/dbraw/zinc/51/41/31/925514131.db2.gz	CJLMKWURAJFBIY-MRVPVSSYSA-N	-1	0	273.310	0.104	20	30		CCEDRM
C=CC[C@@H](NC(=O)NCCN1CCOC(C)(C)C1)C(=O)[O-]	ZINC001354039820	925992459	/nfs/dbraw/zinc/99/24/59/925992459.db2.gz	RDTCOOCFXSJYHM-LLVKDONJSA-N	-1	0	299.371	0.426	20	30		CCEDRM
COc1ccc(Cn2c(=O)[n-]cc(C#N)c2=O)cc1F	ZINC001421406648	926734208	/nfs/dbraw/zinc/73/42/08/926734208.db2.gz	BTMPUWROMVGLLQ-UHFFFAOYSA-N	-1	0	275.239	0.604	20	30		CCEDRM
Cc1nc(CNc2[n-]c(=O)n(C)c(=O)c2C#N)cs1	ZINC001413879203	926753821	/nfs/dbraw/zinc/75/38/21/926753821.db2.gz	NAIIAWDOBSCBJR-UHFFFAOYSA-N	-1	0	277.309	0.322	20	30		CCEDRM
C=CCCC(=O)NC[C@H]1CCN1C(=O)c1n[nH]c(C)c1[O-]	ZINC001358591730	926759352	/nfs/dbraw/zinc/75/93/52/926759352.db2.gz	RRFFGLPWYIIFBN-SNVBAGLBSA-N	-1	0	292.339	0.721	20	30		CCEDRM
C=CC[C@H](NC(=O)c1sccc1-n1cnnn1)C(=O)[O-]	ZINC000150042568	926946743	/nfs/dbraw/zinc/94/67/43/926946743.db2.gz	YBIDLVFHWILYTA-ZETCQYMHSA-N	-1	0	293.308	0.483	20	30		CCEDRM
N#Cc1cn(CC(=O)NCC2CCCC2)c(=O)[n-]c1=O	ZINC001361639242	927211142	/nfs/dbraw/zinc/21/11/42/927211142.db2.gz	IRUDNLFGJQJLNO-UHFFFAOYSA-N	-1	0	276.296	0.127	20	30		CCEDRM
N#CC1CCN(C(=O)c2c[n-]n3c2nccc3=O)CC1	ZINC001361693257	927255446	/nfs/dbraw/zinc/25/54/46/927255446.db2.gz	ZVRZVGKVIWMVQQ-UHFFFAOYSA-N	-1	0	271.280	0.398	20	30		CCEDRM
C[C@H]1CCCC[C@H]1NC(=O)Cn1cc(C#N)c(=O)[n-]c1=O	ZINC001361999129	927507980	/nfs/dbraw/zinc/50/79/80/927507980.db2.gz	JDEPXJKNPYGNTI-GXSJLCMTSA-N	-1	0	290.323	0.515	20	30		CCEDRM
COC(=O)[C@H](C)CN(C)C(=O)c1[n-]c(=O)c(C#N)cc1C	ZINC001362122710	927636039	/nfs/dbraw/zinc/63/60/39/927636039.db2.gz	IUIUSJARDBPBPX-SECBINFHSA-N	-1	0	291.307	0.848	20	30		CCEDRM
CC1(C)CC[C@H]1NC(=O)CCn1cc(C#N)c(=O)[n-]c1=O	ZINC001362526875	928135747	/nfs/dbraw/zinc/13/57/47/928135747.db2.gz	KUQGYMJNHHTMTA-SNVBAGLBSA-N	-1	0	290.323	0.515	20	30		CCEDRM
COC(=O)C1(C#N)CCN(C(=O)c2ccc(O)cn2)CC1	ZINC001362540117	928152113	/nfs/dbraw/zinc/15/21/13/928152113.db2.gz	ZKCFZGJYFONYJW-UHFFFAOYSA-N	-1	0	289.291	0.706	20	30		CCEDRM
Cc1cc(C#N)c(=O)[n-]c1C(=O)N1CCn2cnnc2[C@@H]1C	ZINC001362582385	928208387	/nfs/dbraw/zinc/20/83/87/928208387.db2.gz	QWOAADPVSLKZKB-VIFPVBQESA-N	-1	0	298.306	0.776	20	30		CCEDRM
C[C@@H](C#N)CN(C(=O)CSc1n[nH]c(=O)[n-]1)C1CC1	ZINC001362775660	928474032	/nfs/dbraw/zinc/47/40/32/928474032.db2.gz	LSTYIYPEGPWXML-ZETCQYMHSA-N	-1	0	281.341	0.753	20	30		CCEDRM
Cc1cc(CSc2[n-]c(=O)n(C)c(=O)c2C#N)no1	ZINC001363166492	928936899	/nfs/dbraw/zinc/93/68/99/928936899.db2.gz	IIRUIWLJMOQWJT-UHFFFAOYSA-N	-1	0	278.293	0.534	20	30		CCEDRM
CC(C)(C)S(=O)(=O)CCCn1c(=O)[n-]cc(C#N)c1=O	ZINC001363187005	928956765	/nfs/dbraw/zinc/95/67/65/928956765.db2.gz	VYRFWIZUKAVRRN-UHFFFAOYSA-N	-1	0	299.352	0.012	20	30		CCEDRM
N#CCc1ccc(CNC(=O)Cn2c(=O)[n-][nH]c2=O)cc1	ZINC001363578376	929381337	/nfs/dbraw/zinc/38/13/37/929381337.db2.gz	RGFVTQPUGJKHFR-UHFFFAOYSA-N	-1	0	287.279	0.072	20	30		CCEDRM
C[C@H](NC(=O)c1cc(C#N)ccn1)c1nn(C)cc1[O-]	ZINC001363668519	929469361	/nfs/dbraw/zinc/46/93/61/929469361.db2.gz	UFENANCEOHGCMH-QMMMGPOBSA-N	-1	0	271.280	0.883	20	30		CCEDRM
Cn1c(=O)[n-]c(N[C@@H]2CCCc3cccnc32)c(C#N)c1=O	ZINC001363762707	929553376	/nfs/dbraw/zinc/55/33/76/929553376.db2.gz	NIFQWOBDFMWJLZ-LLVKDONJSA-N	-1	0	297.318	0.830	20	30		CCEDRM
COC[C@H]1C[C@@H](O)CN1C(=O)c1[n-]c(=O)c(C#N)cc1C	ZINC001363814252	929603746	/nfs/dbraw/zinc/60/37/46/929603746.db2.gz	QTNLVEZKWFOYGB-GHMZBOCLSA-N	-1	0	291.307	0.189	20	30		CCEDRM
COC[C@](C)(O)CNC(=O)c1[n-]c(=O)c(C#N)cc1C	ZINC001444742612	929944908	/nfs/dbraw/zinc/94/49/08/929944908.db2.gz	UBPXYKDTWSOCBC-CYBMUJFWSA-N	-1	0	279.296	0.095	20	30		CCEDRM
CN1C(=O)CN([N-]C(=O)c2ccsc2C#N)C1=O	ZINC001446294706	930384683	/nfs/dbraw/zinc/38/46/83/930384683.db2.gz	ROOAWOIQTDOWHI-UHFFFAOYSA-N	-1	0	264.266	0.159	20	30		CCEDRM
C[C@H](NC(=O)CCn1cc(C#N)c(=O)[n-]c1=O)C1CC1	ZINC001450471627	931294981	/nfs/dbraw/zinc/29/49/81/931294981.db2.gz	LPSNKFBSBFVTJC-QMMMGPOBSA-N	-1	0	276.296	0.125	20	30		CCEDRM
CC[C@@H](CNC(=O)c1[nH]nc(C)c1[O-])NC(=O)[C@H](C)C#N	ZINC001450893511	931352887	/nfs/dbraw/zinc/35/28/87/931352887.db2.gz	LSSLZIPKRWSPED-APPZFPTMSA-N	-1	0	293.327	0.208	20	30		CCEDRM
O=C([O-])Cn1cccc1C=Nn1c(=S)[nH][nH]c1=S	ZINC001610801385	970766947	/nfs/dbraw/zinc/76/69/47/970766947.db2.gz	WQAQYEUKLNBMEQ-UHFFFAOYSA-N	-1	0	283.338	0.624	20	30		CCEDRM
CCn1ncnc1COC(=O)[C@](C)(C#N)CC(=O)[O-]	ZINC001610887593	970773570	/nfs/dbraw/zinc/77/35/70/970773570.db2.gz	DSUGIIITSUVAQA-NSHDSACASA-N	-1	0	266.257	0.346	20	30		CCEDRM
N#C[C@@H]1CCCN(C(=O)c2cnc(C(=O)[O-])cn2)C1	ZINC001601059793	970925917	/nfs/dbraw/zinc/92/59/17/970925917.db2.gz	NKIUTBUFVZCBCY-QMMMGPOBSA-N	-1	0	260.253	0.551	20	30		CCEDRM
N#Cc1ccc(OC2CN(C(=O)COCC(=O)[O-])C2)cc1	ZINC001601109361	970934859	/nfs/dbraw/zinc/93/48/59/970934859.db2.gz	PVWLPWXZPPRCQR-UHFFFAOYSA-N	-1	0	290.275	0.249	20	30		CCEDRM
N#Cc1cncn(Cc2ccc(C(=O)[O-])cc2)c1=O	ZINC001601131548	970940622	/nfs/dbraw/zinc/94/06/22/970940622.db2.gz	FEIAOFJWRVTIRL-UHFFFAOYSA-N	-1	0	255.233	0.861	20	30		CCEDRM
N#CCN(C(=O)COC(=O)CCC(=O)[O-])c1ccccc1	ZINC001611291009	970976486	/nfs/dbraw/zinc/97/64/86/970976486.db2.gz	ACPTUNLDBWMQQL-UHFFFAOYSA-N	-1	0	290.275	0.951	20	30		CCEDRM
O=C([O-])C1=NO[C@H](C(=O)NCC#Cc2ccccc2)C1	ZINC001611362004	971010519	/nfs/dbraw/zinc/01/05/19/971010519.db2.gz	LWOLUYFLUMEFJY-LBPRGKRZSA-N	-1	0	272.260	0.384	20	30		CCEDRM
C#C[C@@H](NC(=O)N(C)CCC(=O)[O-])C1CCOCC1	ZINC001602672260	971236306	/nfs/dbraw/zinc/23/63/06/971236306.db2.gz	IYRJYHYUCCRRRM-LLVKDONJSA-N	-1	0	268.313	0.531	20	30		CCEDRM
C#CC1(O)CN(C(=O)C2(C(=O)[O-])CCCCCC2)C1	ZINC001602673366	971239128	/nfs/dbraw/zinc/23/91/28/971239128.db2.gz	TYYCLFIPZRRERC-UHFFFAOYSA-N	-1	0	265.309	0.618	20	30		CCEDRM
C#C[C@H]1CCCN(C(=O)C(=O)NCCCCCC(=O)[O-])C1	ZINC001602674696	971242413	/nfs/dbraw/zinc/24/24/13/971242413.db2.gz	AKDKOHPGHKWTSX-LBPRGKRZSA-N	-1	0	294.351	0.619	20	30		CCEDRM
C#CC[C@@H](NC(=O)C1(CC(=O)[O-])CCC1)C(=O)OC	ZINC001602675131	971245691	/nfs/dbraw/zinc/24/56/91/971245691.db2.gz	LEXUTLSNRBBYKF-SECBINFHSA-N	-1	0	267.281	0.313	20	30		CCEDRM
C#CC[C@@H]1NC(=O)N(c2cccc(CC(=O)[O-])c2)C1=O	ZINC001602675381	971248588	/nfs/dbraw/zinc/24/85/88/971248588.db2.gz	SLJNGOCCMINIBL-NSHDSACASA-N	-1	0	272.260	0.762	20	30		CCEDRM
C#CCN(CC(=O)[O-])C(=O)[C@H](C)OCCC(C)C	ZINC001602678762	971256925	/nfs/dbraw/zinc/25/69/25/971256925.db2.gz	FFPKIPJSUQFOLM-NSHDSACASA-N	-1	0	255.314	0.984	20	30		CCEDRM
C#CCN(CC(=O)[O-])C(=O)C(=O)Nc1cccc(F)c1C	ZINC001602678901	971258050	/nfs/dbraw/zinc/25/80/50/971258050.db2.gz	IZCGCJPWPOLXQV-UHFFFAOYSA-N	-1	0	292.266	0.619	20	30		CCEDRM
C#CCN(CC(=O)[O-])C(=O)[C@H]1Cc2cccc(C)c2O1	ZINC001602682285	971268057	/nfs/dbraw/zinc/26/80/57/971268057.db2.gz	LMHFNBSLVOHABA-GFCCVEGCSA-N	-1	0	273.288	0.845	20	30		CCEDRM
C#CCN(CC(=O)[O-])C(=O)C[C@@H]1CSCCS1	ZINC001602682671	971269856	/nfs/dbraw/zinc/26/98/56/971269856.db2.gz	SNPONCAVDMMRDS-SECBINFHSA-N	-1	0	273.379	0.772	20	30		CCEDRM
C#CCN(CC(=O)[O-])C(=O)CNC(=O)OC(C)(C)C	ZINC001602683103	971272220	/nfs/dbraw/zinc/27/22/20/971272220.db2.gz	YUZRFJWMKGGPOY-UHFFFAOYSA-N	-1	0	270.285	0.058	20	30		CCEDRM
C#CCN(CC(=O)[O-])C(=O)Cn1c(=O)[nH]c2ccccc21	ZINC001602683694	971275180	/nfs/dbraw/zinc/27/51/80/971275180.db2.gz	IROPKVRFQJMTKF-UHFFFAOYSA-N	-1	0	287.275	0.288	20	30		CCEDRM
C#CCN(CC(=O)[O-])C(=O)c1cc2c([nH]c1=O)CCC2	ZINC001602691256	971294610	/nfs/dbraw/zinc/29/46/10/971294610.db2.gz	DJKREVBTPCGYRD-UHFFFAOYSA-N	-1	0	274.276	0.436	20	30		CCEDRM
C#CCN(CC(=O)[O-])C(=O)c1cc(C(C)C)no1	ZINC001602691344	971295429	/nfs/dbraw/zinc/29/54/29/971295429.db2.gz	HPYUMGSBOYMTRN-UHFFFAOYSA-N	-1	0	250.254	0.958	20	30		CCEDRM
C#CCN(CC(=O)[O-])S(=O)(=O)c1ccc(C#N)c(F)c1	ZINC001602699153	971315787	/nfs/dbraw/zinc/31/57/87/971315787.db2.gz	LHYJPMWQROGSCF-UHFFFAOYSA-N	-1	0	296.279	0.406	20	30		CCEDRM
C#CCN(CC(=O)[O-])c1nnc(-c2ncc[nH]2)n1CC	ZINC001602699195	971316154	/nfs/dbraw/zinc/31/61/54/971316154.db2.gz	NCYOWAKMJTXOHI-UHFFFAOYSA-N	-1	0	274.284	0.212	20	30		CCEDRM
C#CCN(CC)C(=O)C1(CC(=O)[O-])CCOCC1	ZINC001602700677	971320481	/nfs/dbraw/zinc/32/04/81/971320481.db2.gz	DOBVMXOAOCYODB-UHFFFAOYSA-N	-1	0	253.298	0.740	20	30		CCEDRM
C#Cc1cccc(CNC(=O)[C@@]2(C(=O)[O-])CCCO2)c1	ZINC001602707263	971342462	/nfs/dbraw/zinc/34/24/62/971342462.db2.gz	NKYSPVMIEAOUNC-OAHLLOKOSA-N	-1	0	273.288	0.918	20	30		CCEDRM
C#Cc1cccc(CNC(=O)[C@]2(C(=O)[O-])CCCO2)c1	ZINC001602707262	971342719	/nfs/dbraw/zinc/34/27/19/971342719.db2.gz	NKYSPVMIEAOUNC-HNNXBMFYSA-N	-1	0	273.288	0.918	20	30		CCEDRM
C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)[C@]1(C(=O)[O-])CCCO1	ZINC001602707442	971344846	/nfs/dbraw/zinc/34/48/46/971344846.db2.gz	VVNYNFHLCUAIEE-SUNKGSAMSA-N	-1	0	283.324	0.718	20	30		CCEDRM
C=C(C)C[C@H](NC(C)=O)C(=O)N(CC(=O)[O-])CC1CC1	ZINC001602710257	971349922	/nfs/dbraw/zinc/34/99/22/971349922.db2.gz	SDFOCOBBSLUYLY-LBPRGKRZSA-N	-1	0	282.340	0.781	20	30		CCEDRM
C=C(CC)CNC(=O)C(=O)N1CCC(C(=O)[O-])CC1	ZINC001602712350	971355541	/nfs/dbraw/zinc/35/55/41/971355541.db2.gz	ODUOTNCNSXVHNY-UHFFFAOYSA-N	-1	0	268.313	0.392	20	30		CCEDRM
C=C[C@H](CC)CC(=O)Nc1ncn(CC(=O)[O-])n1	ZINC001602717236	971365349	/nfs/dbraw/zinc/36/53/49/971365349.db2.gz	FFCUXVYHLQSJAD-MRVPVSSYSA-N	-1	0	252.274	0.904	20	30		CCEDRM
C=CC[C@@H](CO)CNC(=O)C1(C(=O)[O-])CC=CC1	ZINC001602718433	971374620	/nfs/dbraw/zinc/37/46/20/971374620.db2.gz	MLBZGQMHQZEPQG-SNVBAGLBSA-N	-1	0	253.298	0.708	20	30		CCEDRM
C=CCN(C(=O)C(=O)Nc1cncc(C(=O)[O-])c1)C1CC1	ZINC001602721924	971384760	/nfs/dbraw/zinc/38/47/60/971384760.db2.gz	GKQGCZKTGXWXQT-UHFFFAOYSA-N	-1	0	289.291	0.895	20	30		CCEDRM
C=CCN1CC[C@@H](N(C)C(=O)C2(C(=O)[O-])CC2)C1=O	ZINC001602722697	971388362	/nfs/dbraw/zinc/38/83/62/971388362.db2.gz	IAMDWHRJSWRORH-SECBINFHSA-N	-1	0	266.297	0.097	20	30		CCEDRM
CC#CC[C@H](CO)NC(=O)C(CC)(CC)C(=O)[O-]	ZINC001602735313	971419313	/nfs/dbraw/zinc/41/93/13/971419313.db2.gz	YTIIBXQKAGNIMJ-SNVBAGLBSA-N	-1	0	255.314	0.768	20	30		CCEDRM
N#CCCNC(=O)CN1CCc2ccccc2[C@H]1C(=O)[O-]	ZINC000043594140	948892883	/nfs/dbraw/zinc/89/28/83/948892883.db2.gz	GZQKJFLNSNPTCZ-AWEZNQCLSA-N	-1	0	287.319	0.700	20	30		CCEDRM
C[C@H](C#N)CN(C)C(=O)C(=O)Nc1cncc(C(=O)[O-])c1	ZINC001602786367	971533271	/nfs/dbraw/zinc/53/32/71/971533271.db2.gz	NMWZDRMCHBTHDB-MRVPVSSYSA-N	-1	0	290.279	0.336	20	30		CCEDRM
C#CCN(CC(=O)[O-])C(=O)c1cccc(N(C)C)c1	ZINC000092477676	949146979	/nfs/dbraw/zinc/14/69/79/949146979.db2.gz	YDOCNHHXLJHTHO-UHFFFAOYSA-N	-1	0	260.293	0.913	20	30		CCEDRM
C#CCN(CC(=O)[O-])[C@H](C)C(=O)NCCC(C)C	ZINC000092482335	949154099	/nfs/dbraw/zinc/15/40/99/949154099.db2.gz	HHZJSHMCPNAETK-LLVKDONJSA-N	-1	0	254.330	0.557	20	30		CCEDRM
N#C[C@@H]1CN(CCOc2ccccc2C(=O)[O-])CCO1	ZINC000093932912	949173258	/nfs/dbraw/zinc/17/32/58/949173258.db2.gz	VHPKBXBGVFPZKT-LLVKDONJSA-N	-1	0	276.292	0.988	20	30		CCEDRM
C=C(C)COCCNC(=O)NC[C@H](CC)C(=O)[O-]	ZINC000164115700	949408770	/nfs/dbraw/zinc/40/87/70/949408770.db2.gz	DRWCPDRCLKBZQG-JTQLQIEISA-N	-1	0	258.318	0.989	20	30		CCEDRM
C[C@@H](C(=O)[O-])C(=O)O[C@H](C(N)=O)c1ccc(C#N)cc1	ZINC001602810507	971600229	/nfs/dbraw/zinc/60/02/29/971600229.db2.gz	PFUDTDILKOYWGN-XVKPBYJWSA-N	-1	0	276.248	0.349	20	30		CCEDRM
N#C[C@@H]1CN(C(=O)c2ccsc2CC(=O)[O-])CCO1	ZINC000379272208	971627762	/nfs/dbraw/zinc/62/77/62/971627762.db2.gz	MUOSGQXJUFJKFQ-MRVPVSSYSA-N	-1	0	280.305	0.740	20	30		CCEDRM
C[C@H](C(=O)[O-])c1noc([C@]2(C#N)CCCOC2)n1	ZINC001602825842	971643259	/nfs/dbraw/zinc/64/32/59/971643259.db2.gz	WHHFCFNLRWMZMT-CPCISQLKSA-N	-1	0	251.242	0.829	20	30		CCEDRM
CCN(C(=O)Cc1noc(C)c1C#N)[C@@H](C)C(=O)[O-]	ZINC001589703978	950262941	/nfs/dbraw/zinc/26/29/41/950262941.db2.gz	SIJULBHKDDLGQF-ZETCQYMHSA-N	-1	0	265.269	0.719	20	30		CCEDRM
CCN(C[C@H](C)C#N)S(=O)(=O)N[C@H]1C[C@@H](C(=O)[O-])C1	ZINC001589719697	950405518	/nfs/dbraw/zinc/40/55/18/950405518.db2.gz	GZKPZEVDVQTSQB-BBBLOLIVSA-N	-1	0	289.357	0.166	20	30		CCEDRM
CCN(C[C@H](C)C#N)C(=O)COC(=O)[C@]1(C(=O)[O-])C[C@H]1C	ZINC001589720492	950415141	/nfs/dbraw/zinc/41/51/41/950415141.db2.gz	QNPZDSSHTHDZBC-GPCCPHFNSA-N	-1	0	296.323	0.649	20	30		CCEDRM
C#CCN(CCN1C[C@H](C)O[C@@H](C)C1)CC(=O)[O-]	ZINC000313950258	950806664	/nfs/dbraw/zinc/80/66/64/950806664.db2.gz	DUVZWVPWGAVFEF-RYUDHWBXSA-N	-1	0	254.330	0.115	20	30		CCEDRM
O=C([O-])CCCC=NNC(=S)NC[C@H]1CCCO1	ZINC001595031118	951366825	/nfs/dbraw/zinc/36/68/25/951366825.db2.gz	ATACNBHIWVGRRI-SECBINFHSA-N	-1	0	273.358	0.870	20	30		CCEDRM
C#C[C@@H](CC)NS(=O)(=O)c1cc(C(=O)[O-])ccn1	ZINC000381165329	971743061	/nfs/dbraw/zinc/74/30/61/971743061.db2.gz	UEVPADFJNIVYOP-VIFPVBQESA-N	-1	0	268.294	0.470	20	30		CCEDRM
C#C[C@](C)(CC)NS(=O)(=O)c1scnc1C(=O)[O-]	ZINC000384137861	971913546	/nfs/dbraw/zinc/91/35/46/971913546.db2.gz	CLMIGCJQWPWYTK-SNVBAGLBSA-N	-1	0	288.350	0.922	20	30		CCEDRM
CCc1ccc(C#CC(=O)N[C@]2(C(=O)[O-])CCOC2)cc1	ZINC001593633636	953594737	/nfs/dbraw/zinc/59/47/37/953594737.db2.gz	LMNFGJFDZCTKDM-MRXNPFEDSA-N	-1	0	287.315	0.960	20	30		CCEDRM
CN(C)C[C@](C)(C#N)NC(=O)[C@H]1CO[C@@H](CCC(=O)[O-])C1	ZINC001593691872	954043124	/nfs/dbraw/zinc/04/31/24/954043124.db2.gz	DFEFQABKYLUKSW-SUNKGSAMSA-N	-1	0	297.355	0.216	20	30		CCEDRM
CN(C)C[C@](C)(C#N)NC(=O)c1ccc(C(=O)[O-])cc1	ZINC001593692012	954045693	/nfs/dbraw/zinc/04/56/93/954045693.db2.gz	LCZZNCUUGSDJPQ-AWEZNQCLSA-N	-1	0	275.308	0.958	20	30		CCEDRM
CN(CCCC(=O)[O-])C(=O)C(=O)Nc1cccc(C#N)n1	ZINC001593742407	954363970	/nfs/dbraw/zinc/36/39/70/954363970.db2.gz	OWYJHDOBORPOCU-UHFFFAOYSA-N	-1	0	290.279	0.215	20	30		CCEDRM
CCC#C[C@H](C)N1CCO[C@@](COC)(C(=O)[O-])C1	ZINC001589420560	954598452	/nfs/dbraw/zinc/59/84/52/954598452.db2.gz	WKROZGZQQOMORQ-AAEUAGOBSA-N	-1	0	255.314	0.590	20	30		CCEDRM
CC[C@@H](C#N)C(=O)N[C@@H](Cc1ccncc1)C(=O)[O-]	ZINC001589426118	954620922	/nfs/dbraw/zinc/62/09/22/954620922.db2.gz	DHGMNWNLUBKSFQ-QWRGUYRKSA-N	-1	0	261.281	0.743	20	30		CCEDRM
O=C([O-])[C@H]1COCCN1CC#Cc1ccc(F)cc1	ZINC001594957737	954994693	/nfs/dbraw/zinc/99/46/93/954994693.db2.gz	ZPUWFZWZHZCHCD-CYBMUJFWSA-N	-1	0	263.268	0.963	20	30		CCEDRM
COC(=O)CCN(CC(=O)[O-])C(=O)C(C)(C)C#N	ZINC001593835697	955178872	/nfs/dbraw/zinc/17/88/72/955178872.db2.gz	HBZGZBSSBHNRIW-UHFFFAOYSA-N	-1	0	256.258	0.012	20	30		CCEDRM
COC(=O)CC[C@H](NC(=O)c1cc(C#N)[nH]c1C)C(=O)[O-]	ZINC001593844572	955398935	/nfs/dbraw/zinc/39/89/35/955398935.db2.gz	YCMAWFSLKICASH-JTQLQIEISA-N	-1	0	293.279	0.331	20	30		CCEDRM
CO[C@H](C(=O)[O-])C(=O)NCc1cccc(OCC#N)c1	ZINC001593907941	955947060	/nfs/dbraw/zinc/94/70/60/955947060.db2.gz	CEIDFXXINKOQGL-NSHDSACASA-N	-1	0	278.264	0.305	20	30		CCEDRM
CO[C@](C)(C(=O)[O-])C(=O)N1CCc2c1cccc2C#N	ZINC001593925385	956115977	/nfs/dbraw/zinc/11/59/77/956115977.db2.gz	SFIYROSAUDTXPQ-AWEZNQCLSA-N	-1	0	274.276	0.937	20	30		CCEDRM
N#CC1CCN(C(=O)[C@@H]2CCCN(CC(=O)[O-])C2=O)CC1	ZINC001594606112	956177117	/nfs/dbraw/zinc/17/71/17/956177117.db2.gz	QHVBLJIDJZNEBZ-NSHDSACASA-N	-1	0	293.323	0.072	20	30		CCEDRM
CO[C@@](C)(C(=O)[O-])C(=O)Nc1ccn(CCC#N)n1	ZINC001593931667	956191080	/nfs/dbraw/zinc/19/10/80/956191080.db2.gz	PLILOHACZYATAV-LLVKDONJSA-N	-1	0	266.257	0.225	20	30		CCEDRM
N#Cc1ccc([C@H](O)C(=O)N2CCC[C@@H](C(=O)[O-])C2)cc1	ZINC001594617806	956255536	/nfs/dbraw/zinc/25/55/36/956255536.db2.gz	MFDBXSDCPDDTJV-OLZOCXBDSA-N	-1	0	288.303	0.915	20	30		CCEDRM
C[C@](O)(CNC(=O)c1cc(F)c(C#N)c(F)c1)C(=O)[O-]	ZINC001589143949	956271903	/nfs/dbraw/zinc/27/19/03/956271903.db2.gz	HFJBYXWKAZMNAO-LBPRGKRZSA-N	-1	0	284.218	0.402	20	30		CCEDRM
N#Cc1ccc(S(=O)(=O)CCSCC(=O)[O-])nc1	ZINC001594625411	956308757	/nfs/dbraw/zinc/30/87/57/956308757.db2.gz	PEOVWZIPYOPZEH-UHFFFAOYSA-N	-1	0	286.334	0.545	20	30		CCEDRM
N#Cc1ccccc1OCC(=O)OCC(=O)C(=O)[O-]	ZINC001594631730	956344324	/nfs/dbraw/zinc/34/43/24/956344324.db2.gz	GPFYXHKJOWBGKH-UHFFFAOYSA-N	-1	0	263.205	0.134	20	30		CCEDRM
N#Cc1ccnc(C(=O)N2CCC(C(=O)[O-])CC2)c1	ZINC001594631904	956348214	/nfs/dbraw/zinc/34/82/14/956348214.db2.gz	RBLMSCKOWHCCHH-UHFFFAOYSA-N	-1	0	259.265	0.890	20	30		CCEDRM
N#Cc1ncn(CCNC(=O)[C@@]2(C(=O)[O-])CC=CCC2)n1	ZINC001594635022	956367583	/nfs/dbraw/zinc/36/75/83/956367583.db2.gz	HCGOAPLXYVVSLV-CYBMUJFWSA-N	-1	0	289.295	0.077	20	30		CCEDRM
CC(C)[C@@](C)(C#N)NC(=O)[C@@H](C)OC(=O)CCC(=O)[O-]	ZINC001589155205	956369244	/nfs/dbraw/zinc/36/92/44/956369244.db2.gz	DVQBGLBAJCNFIU-NOZJJQNGSA-N	-1	0	284.312	0.837	20	30		CCEDRM
N#Cc1sccc1C(=O)O[C@@H]1CCN(CC(=O)[O-])C1=O	ZINC001594635940	956372216	/nfs/dbraw/zinc/37/22/16/956372216.db2.gz	YTOGXQUGFYUOGQ-MRVPVSSYSA-N	-1	0	294.288	0.462	20	30		CCEDRM
COC[C@H](NC(=O)[C@](C)(C#N)CC(=O)[O-])[C@H]1CCCO1	ZINC001593957762	956451911	/nfs/dbraw/zinc/45/19/11/956451911.db2.gz	YBHZAJRKGRFNOJ-CWSCBRNRSA-N	-1	0	284.312	0.301	20	30		CCEDRM
C[C@@]1(C#N)CN(C(=O)NCCCCC(=O)[O-])CCO1	ZINC001589181252	956520762	/nfs/dbraw/zinc/52/07/62/956520762.db2.gz	CILXSFBAFJSVNR-GFCCVEGCSA-N	-1	0	269.301	0.565	20	30		CCEDRM
COC[C@]1(C(=O)[O-])CN(Cc2ccncc2C#N)CCO1	ZINC001593985422	956768877	/nfs/dbraw/zinc/76/88/77/956768877.db2.gz	YNUQHOBPFQRDOR-AWEZNQCLSA-N	-1	0	291.307	0.255	20	30		CCEDRM
O=C([O-])CSCCNC(=O)C#Cc1ccccc1	ZINC000389334063	972219762	/nfs/dbraw/zinc/21/97/62/972219762.db2.gz	NGBWFZXFROREFO-UHFFFAOYSA-N	-1	0	263.318	0.972	20	30		CCEDRM
COCCCNC(=S)NN=Cc1cccn1CC(=O)[O-]	ZINC001593994421	956866783	/nfs/dbraw/zinc/86/67/83/956866783.db2.gz	DNJBTZNDLRYQHP-UHFFFAOYSA-N	-1	0	298.368	0.407	20	30		CCEDRM
COc1cc(C(=O)[O-])ccc1OCC(=O)NCCC#N	ZINC000019276056	957106188	/nfs/dbraw/zinc/10/61/88/957106188.db2.gz	HQYIDGUWHUTGNJ-UHFFFAOYSA-N	-1	0	278.264	0.802	20	30		CCEDRM
CC(C)CN(CC(=O)[O-])CC(=O)N(CCC#N)CCC#N	ZINC000062742966	957606761	/nfs/dbraw/zinc/60/67/61/957606761.db2.gz	RTEJIDMIWZXLMO-UHFFFAOYSA-N	-1	0	294.355	0.685	20	30		CCEDRM
C#C[C@@H](NC(=O)N1CCC[C@@H](C(=O)[O-])C1)C1CCOCC1	ZINC001588386403	957977448	/nfs/dbraw/zinc/97/74/48/957977448.db2.gz	QWBJCKVTEMFSTC-CHWSQXEVSA-N	-1	0	294.351	0.921	20	30		CCEDRM
C#C[C@H](NC(=O)N1CCO[C@@](COC)(C(=O)[O-])C1)C(C)C	ZINC001588387010	957984173	/nfs/dbraw/zinc/98/41/73/957984173.db2.gz	XCOMGRHEQJCHNU-FZMZJTMJSA-N	-1	0	298.339	0.156	20	30		CCEDRM
C#C[C@@H](NC(=O)CSCC(=O)[O-])[C@@H]1CCCO1	ZINC001588387650	957988944	/nfs/dbraw/zinc/98/89/44/957988944.db2.gz	LOJBDUIGAVBXIU-BDAKNGLRSA-N	-1	0	257.311	0.101	20	30		CCEDRM
C#C[C@H](C)N(C)C(=O)Nc1ccn(CC(=O)[O-])n1	ZINC001588388647	957998842	/nfs/dbraw/zinc/99/88/42/957998842.db2.gz	XHFZICDTXBDLKR-QMMMGPOBSA-N	-1	0	250.258	0.453	20	30		CCEDRM
C#CC[C@H](CCOC)NC(=O)c1cnc(C(=O)[O-])cn1	ZINC001588389047	958002525	/nfs/dbraw/zinc/00/25/25/958002525.db2.gz	LCSCUFDXVJUOST-SECBINFHSA-N	-1	0	277.280	0.333	20	30		CCEDRM
C#CCC[C@H](O)CNC(=O)NC[C@H](C(=O)[O-])C(C)C	ZINC001588391564	958025892	/nfs/dbraw/zinc/02/58/92/958025892.db2.gz	JKFVQOHZRUMTFX-QWRGUYRKSA-N	-1	0	270.329	0.417	20	30		CCEDRM
C#CC[C@@H](OC(=O)COCC(=O)[O-])c1ccccn1	ZINC001588391866	958028141	/nfs/dbraw/zinc/02/81/41/958028141.db2.gz	PUOUUASPHKVKNP-LLVKDONJSA-N	-1	0	263.249	0.790	20	30		CCEDRM
C#CCC1(NC(=O)NCCCC(=O)[O-])CCOCC1	ZINC001588391859	958028478	/nfs/dbraw/zinc/02/84/78/958028478.db2.gz	PIIHQHLIOIEKCH-UHFFFAOYSA-N	-1	0	268.313	0.723	20	30		CCEDRM
C#CC[C@H]1CCCN(C(=O)[C@H]2CC(C(=O)[O-])=NO2)C1	ZINC001588392294	958031706	/nfs/dbraw/zinc/03/17/06/958031706.db2.gz	XBGNNGVHUWAWNN-GXSJLCMTSA-N	-1	0	264.281	0.478	20	30		CCEDRM
C#CCCn1nnnc1N1C[C@@H](C)C[C@H](C(=O)[O-])C1	ZINC001588396636	958051386	/nfs/dbraw/zinc/05/13/86/958051386.db2.gz	WRCGOJTZKYRFKP-UWVGGRQHSA-N	-1	0	263.301	0.243	20	30		CCEDRM
C#CCN(CC(=O)[O-])C(=O)[C@@H](NC(C)=O)C1CCCC1	ZINC001588397415	958056489	/nfs/dbraw/zinc/05/64/89/958056489.db2.gz	HLSJCEHQSSRYAO-ZDUSSCGKSA-N	-1	0	280.324	0.228	20	30		CCEDRM
C#CCN(CC(=O)[O-])C(=O)C(F)(F)C1CCOCC1	ZINC001588397475	958057233	/nfs/dbraw/zinc/05/72/33/958057233.db2.gz	JONJHBNCIRJTNJ-UHFFFAOYSA-N	-1	0	275.251	0.595	20	30		CCEDRM
C#CCN(CC(=O)[O-])C(=O)[C@H](C)c1ncccc1F	ZINC001588397465	958057648	/nfs/dbraw/zinc/05/76/48/958057648.db2.gz	JHQXHLLABLWPIE-SECBINFHSA-N	-1	0	264.256	0.871	20	30		CCEDRM
C#CCN(CC(=O)[O-])C(=O)[C@@]1(O)CCc2ccccc2C1	ZINC001588399121	958071382	/nfs/dbraw/zinc/07/13/82/958071382.db2.gz	GRCMBSABHFADCF-MRXNPFEDSA-N	-1	0	287.315	0.453	20	30		CCEDRM
C#CCN(CC(=O)[O-])C(=O)[C@@H]1CCc2nc[nH]c2C1	ZINC001588399309	958072162	/nfs/dbraw/zinc/07/21/62/958072162.db2.gz	ITIFKNUIMRITFC-SECBINFHSA-N	-1	0	261.281	0.061	20	30		CCEDRM
C#CCN(CC(=O)[O-])C(=O)[C@@H]1CCc2cccc(O)c21	ZINC001588399985	958077625	/nfs/dbraw/zinc/07/76/25/958077625.db2.gz	QIANAMAPLPZORG-LLVKDONJSA-N	-1	0	273.288	0.968	20	30		CCEDRM
C#CCN(CC(=O)[O-])C(=O)[C@@H]1c2c[nH]nc2CC[C@H]1C	ZINC001588400192	958079758	/nfs/dbraw/zinc/07/97/58/958079758.db2.gz	SNFBFVFVHMTAKT-RNCFNFMXSA-N	-1	0	275.308	0.622	20	30		CCEDRM
C#CCN(CC(=O)[O-])C(=O)CCCn1ccccc1=O	ZINC001588402642	958093022	/nfs/dbraw/zinc/09/30/22/958093022.db2.gz	ZAEASDWEKYHLBY-UHFFFAOYSA-N	-1	0	276.292	0.175	20	30		CCEDRM
C#CCN(CC(=O)[O-])C(=O)COc1cccc(C(C)=O)c1	ZINC001588407711	958103635	/nfs/dbraw/zinc/10/36/35/958103635.db2.gz	UZIRNSFKOXDMPT-UHFFFAOYSA-N	-1	0	289.287	0.814	20	30		CCEDRM
C#CCN(CC(=O)[O-])C(=O)N[C@@H](CC)C1CCOCC1	ZINC001588409738	958130953	/nfs/dbraw/zinc/13/09/53/958130953.db2.gz	JAJZFXVQOLBZQB-LBPRGKRZSA-N	-1	0	282.340	0.921	20	30		CCEDRM
C#CCN(CC(=O)[O-])C(=O)N[C@@H](COC)C1CCOCC1	ZINC001588409968	958134090	/nfs/dbraw/zinc/13/40/90/958134090.db2.gz	MUTLIPRDCHDXSC-LBPRGKRZSA-N	-1	0	298.339	0.157	20	30		CCEDRM
N#Cc1cccc(CN2CC(n3cc(C(=O)[O-])nn3)C2)c1	ZINC000092698122	958174517	/nfs/dbraw/zinc/17/45/17/958174517.db2.gz	AHAXZZCNIXACOG-UHFFFAOYSA-N	-1	0	283.291	0.905	20	30		CCEDRM
C#CCN(CC(=O)[O-])C(=O)c1cccnc1OCCOC	ZINC001588419085	958191678	/nfs/dbraw/zinc/19/16/78/958191678.db2.gz	QBKQJMCSHRGKJT-UHFFFAOYSA-N	-1	0	292.291	0.267	20	30		CCEDRM
C#CCN(CC(=O)[O-])S(=O)(=O)C[C@H]1CCC1(F)F	ZINC001588425490	958226305	/nfs/dbraw/zinc/22/63/05/958226305.db2.gz	VJPUSTTUAUUIDT-MRVPVSSYSA-N	-1	0	281.280	0.381	20	30		CCEDRM
C#CCN(CC(=O)[O-])c1nnc([C@H](C)CC)n1C	ZINC001588426813	958233608	/nfs/dbraw/zinc/23/36/08/958233608.db2.gz	CUTUXZUXAPABFN-SECBINFHSA-N	-1	0	250.302	0.853	20	30		CCEDRM
C#CCN(CC(=O)[O-])c1nnnn1[C@@H]1CCOC(C)(C)C1	ZINC001588426874	958235726	/nfs/dbraw/zinc/23/57/26/958235726.db2.gz	FIBISCAWDOYZPE-SNVBAGLBSA-N	-1	0	293.327	0.327	20	30		CCEDRM
C#CCN(CC(=O)[O-])c1nnnn1CCC(C)(C)OC	ZINC001588426915	958236004	/nfs/dbraw/zinc/23/60/04/958236004.db2.gz	GQRUYKQOTHNQTO-UHFFFAOYSA-N	-1	0	281.316	0.012	20	30		CCEDRM
C#CCN1CCC[C@H](NC(=O)N[C@H](C)CC(=O)[O-])C1	ZINC001588429852	958249632	/nfs/dbraw/zinc/24/96/32/958249632.db2.gz	FJZGBJVHMUSGRU-MNOVXSKESA-N	-1	0	267.329	0.246	20	30		CCEDRM
C#CCN1CCC[C@@H](NC(=O)c2cnc(C(=O)[O-])cn2)C1	ZINC001588430843	958262651	/nfs/dbraw/zinc/26/26/51/958262651.db2.gz	PPOKAWSOZWFSIW-SNVBAGLBSA-N	-1	0	288.307	0.002	20	30		CCEDRM
C#CCn1cc(CNC(=O)[C@@]2(C(=O)[O-])CC=CCC2)cn1	ZINC001588433141	958292534	/nfs/dbraw/zinc/29/25/34/958292534.db2.gz	KWSWLAHOTTVAKG-OAHLLOKOSA-N	-1	0	287.319	0.944	20	30		CCEDRM
C#Cc1ccccc1CC(=O)OCc1cn(CC(=O)[O-])nn1	ZINC001588439021	958309305	/nfs/dbraw/zinc/30/93/05/958309305.db2.gz	FGWAXVWLYORKRU-UHFFFAOYSA-N	-1	0	299.286	0.630	20	30		CCEDRM
C#Cc1cccnc1N1CCO[C@](COC)(C(=O)[O-])C1	ZINC001588439671	958321848	/nfs/dbraw/zinc/32/18/48/958321848.db2.gz	QQVLSDWBKASFDY-CQSZACIVSA-N	-1	0	276.292	0.369	20	30		CCEDRM
C=C(C)CN(C)C(=O)[C@H]1CCCN(CC(=O)[O-])C1=O	ZINC001588441004	958331976	/nfs/dbraw/zinc/33/19/76/958331976.db2.gz	BQXVIBKXAAEEHV-SNVBAGLBSA-N	-1	0	268.313	0.344	20	30		CCEDRM
C=CC[C@@H](CC)NC(=O)[C@@H]1CCCN(CC(=O)[O-])C1=O	ZINC001588453474	958439461	/nfs/dbraw/zinc/43/94/61/958439461.db2.gz	XZOHHOXKHRBCCC-MNOVXSKESA-N	-1	0	282.340	0.781	20	30		CCEDRM
C=CCCC[C@@H](NC(=O)[C@H]1CC(C(=O)[O-])=NO1)C(=O)OC	ZINC001588458867	958466969	/nfs/dbraw/zinc/46/69/69/958466969.db2.gz	WJEZEXVMKWBTOM-PSASIEDQSA-N	-1	0	298.295	0.230	20	30		CCEDRM
C=C(CCC(=O)OC)C(=O)NCC1(C(=O)[O-])CCOCC1	ZINC001573329275	958508389	/nfs/dbraw/zinc/50/83/89/958508389.db2.gz	BUEGZKYPTBSZDF-UHFFFAOYSA-N	-1	0	299.323	0.493	20	30		CCEDRM
C=CCn1c([C@@H](C)CO)nnc1N1CC[C@](C)(C(=O)[O-])C1	ZINC001588470544	958529672	/nfs/dbraw/zinc/52/96/72/958529672.db2.gz	QHGGVCWREFHANR-HZMBPMFUSA-N	-1	0	294.355	0.861	20	30		CCEDRM
C=C[C@@H]1OCCC[C@H]1NC(=O)N[C@@H](C)CC(=O)[O-]	ZINC001588475068	958560514	/nfs/dbraw/zinc/56/05/14/958560514.db2.gz	VSEPNMHOBWKPEP-AEJSXWLSSA-N	-1	0	256.302	0.882	20	30		CCEDRM
CC#CCN(C)C(=O)[C@@H]1CO[C@@H](CCC(=O)[O-])C1	ZINC001588478540	958567991	/nfs/dbraw/zinc/56/79/91/958567991.db2.gz	FQZXSHMVKTVPNZ-QWRGUYRKSA-N	-1	0	253.298	0.738	20	30		CCEDRM
CC#CCN(C)C(=O)c1cccn(CC(=O)[O-])c1=O	ZINC001588478983	958575492	/nfs/dbraw/zinc/57/54/92/958575492.db2.gz	RUVDGEFBEOPQSP-UHFFFAOYSA-N	-1	0	262.265	0.028	20	30		CCEDRM
N#Cc1cc(F)ccc1NC(=O)COCC(=O)[O-]	ZINC000126196366	958581198	/nfs/dbraw/zinc/58/11/98/958581198.db2.gz	YYUSAAZKJOCLAD-UHFFFAOYSA-N	-1	0	252.201	0.737	20	30		CCEDRM
C[C@@](C#N)(CC(=O)[O-])C(=O)NCCC[C@@H]1CCOC1=O	ZINC001573364729	958617165	/nfs/dbraw/zinc/61/71/65/958617165.db2.gz	QNJJVXFBHSTDQS-RNCFNFMXSA-N	-1	0	282.296	0.450	20	30		CCEDRM
COc1ccc(C#N)cc1CN1CCOC[C@H]1C(=O)[O-]	ZINC000131461980	958750040	/nfs/dbraw/zinc/75/00/40/958750040.db2.gz	IPOJQYKCPOUNCG-LBPRGKRZSA-N	-1	0	276.292	0.852	20	30		CCEDRM
COc1cccnc1CNC(=O)[C@@](C)(C#N)CC(=O)[O-]	ZINC001594148112	958782084	/nfs/dbraw/zinc/78/20/84/958782084.db2.gz	ODMGRGIBLWIBSU-CYBMUJFWSA-N	-1	0	277.280	0.711	20	30		CCEDRM
Cc1cccc([C@H](NCC(=O)NCCC#N)C(=O)[O-])c1	ZINC001594399369	958826849	/nfs/dbraw/zinc/82/68/49/958826849.db2.gz	NNVHGFUYXILPST-ZDUSSCGKSA-N	-1	0	275.308	0.740	20	30		CCEDRM
COc1ncc(NC(=O)c2cc(C(=O)[O-])n[nH]2)cc1C#N	ZINC001594160676	958886903	/nfs/dbraw/zinc/88/69/03/958886903.db2.gz	VUEQCUNNUVBNFJ-UHFFFAOYSA-N	-1	0	287.235	0.635	20	30		CCEDRM
C[C@@](C#N)(CC(=O)[O-])C(=O)N1CC(C2CCOCC2)C1	ZINC001588534046	958914409	/nfs/dbraw/zinc/91/44/09/958914409.db2.gz	DMCXSHFTUUGNMP-AWEZNQCLSA-N	-1	0	280.324	0.876	20	30		CCEDRM
C[C@](C#N)(CC(=O)[O-])C(=O)N1CCc2c(nc[nH]c2=O)C1	ZINC001588538947	958948528	/nfs/dbraw/zinc/94/85/28/958948528.db2.gz	RJHAFPLPKUEKKG-CYBMUJFWSA-N	-1	0	290.279	0.071	20	30		CCEDRM
C[C@@H](C#N)CN(C)S(=O)(=O)N1[C@H](C)CC[C@@H]1C(=O)[O-]	ZINC001588543729	958983093	/nfs/dbraw/zinc/98/30/93/958983093.db2.gz	QOIFDZBUISROCG-IVZWLZJFSA-N	-1	0	289.357	0.260	20	30		CCEDRM
C[C@H](C#N)CN(C(=O)c1cc(C(=O)[O-])nn1C)C1CC1	ZINC001588543792	958983343	/nfs/dbraw/zinc/98/33/43/958983343.db2.gz	SETIHUDVHMSQTG-MRVPVSSYSA-N	-1	0	276.296	0.883	20	30		CCEDRM
C[C@H](C#N)CNC(=O)Nc1ccn(C(C)(C)C(=O)[O-])n1	ZINC001588543736	958984046	/nfs/dbraw/zinc/98/40/46/958984046.db2.gz	QPKQIDWKGKLXDW-MRVPVSSYSA-N	-1	0	279.300	0.984	20	30		CCEDRM
C#CC[C@@H](NC(=O)[C@H]1CC(c2ccccc2)=NO1)C(=O)[O-]	ZINC000149803133	959027854	/nfs/dbraw/zinc/02/78/54/959027854.db2.gz	GNFNHBFHVNDOLL-DGCLKSJQSA-N	-1	0	286.287	0.772	20	30		CCEDRM
C#CC[C@H](NC(=O)c1cc(=O)c2ccccc2o1)C(=O)[O-]	ZINC000149937298	959032401	/nfs/dbraw/zinc/03/24/01/959032401.db2.gz	JBPREURBQPTZEF-JTQLQIEISA-N	-1	0	285.255	0.999	20	30		CCEDRM
C[C@@H](C(=O)[O-])C(=O)OCC(=O)N[C@@](C)(C#N)C1CC1	ZINC001588579863	959242873	/nfs/dbraw/zinc/24/28/73/959242873.db2.gz	FSMNUMMTLOHBNN-MADCSZMMSA-N	-1	0	268.269	0.059	20	30		CCEDRM
Cc1nnc([C@@H]2CCN(C(=O)[C@](C)(C#N)CC(=O)[O-])C2)[nH]1	ZINC001594452038	959383463	/nfs/dbraw/zinc/38/34/63/959383463.db2.gz	UGSZEAGBCIQWOL-RNCFNFMXSA-N	-1	0	291.311	0.434	20	30		CCEDRM
C[C@H](Cn1c(=O)c(C#N)cn(CC(=O)[O-])c1=O)C(C)(C)C	ZINC001573611349	959482658	/nfs/dbraw/zinc/48/26/58/959482658.db2.gz	SKBOKQZFXSACAO-SECBINFHSA-N	-1	0	293.323	0.648	20	30		CCEDRM
C[C@H](NC(=O)[C@@](C)(C#N)CC(=O)[O-])c1ncc[nH]1	ZINC001594232981	959484081	/nfs/dbraw/zinc/48/40/81/959484081.db2.gz	MFCCTVFDCBFWKU-WRWORJQWSA-N	-1	0	250.258	0.591	20	30		CCEDRM
C[C@H](NC(=O)[C@@](C)(C#N)CC(=O)[O-])c1csnn1	ZINC001573611759	959487055	/nfs/dbraw/zinc/48/70/55/959487055.db2.gz	ZTTRFSRVECJCQA-QUBYGPBYSA-N	-1	0	268.298	0.720	20	30		CCEDRM
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CC1(C#N)CN(S(=O)(=O)c2occc2C(=O)[O-])C1	ZINC001570995195	963176437	/nfs/dbraw/zinc/17/64/37/963176437.db2.gz	SKHGQARSMDCXTG-UHFFFAOYSA-N	-1	0	270.266	0.512	20	30		CCEDRM
C=C(Cl)CN1CCN(C(=O)[C@@H]2C[C@@H]2C(=O)[O-])CC1	ZINC001570999603	963209675	/nfs/dbraw/zinc/20/96/75/963209675.db2.gz	JNYPFTQCYPDHOM-ZJUUUORDSA-N	-1	0	272.732	0.604	20	30		CCEDRM
Cc1onc(CC(=O)NC2CC(CC(=O)[O-])C2)c1C#N	ZINC001571006321	963253907	/nfs/dbraw/zinc/25/39/07/963253907.db2.gz	YPFHVDDGNOOXQG-UHFFFAOYSA-N	-1	0	277.280	0.767	20	30		CCEDRM
COC(=O)[C@@H]1C[C@@H](C(=O)[O-])CCN1C(=O)[C@@H]1C[C@@H]1C#N	ZINC001571013486	963298528	/nfs/dbraw/zinc/29/85/28/963298528.db2.gz	JSFFYAVLVSEELL-JLIMGVALSA-N	-1	0	280.280	0.011	20	30		CCEDRM
C[C@H](C#N)CNS(=O)(=O)c1cc(C(=O)[O-])ccn1	ZINC000311197105	963467201	/nfs/dbraw/zinc/46/72/01/963467201.db2.gz	IQVJPJRXQKMGEH-SSDOTTSWSA-N	-1	0	269.282	0.218	20	30		CCEDRM
N#Cc1cnn(CC(=O)N2CCC(C(=O)[O-])CC2)c1	ZINC000311417077	963479118	/nfs/dbraw/zinc/47/91/18/963479118.db2.gz	JYJWCOIOEFTYEC-UHFFFAOYSA-N	-1	0	262.269	0.078	20	30		CCEDRM
C#CCCCC(=O)N1C[C@H](C(=O)OC)CC[C@H]1C(=O)[O-]	ZINC001588435323	964019991	/nfs/dbraw/zinc/01/99/91/964019991.db2.gz	LQNUZWLVYVMDHG-MNOVXSKESA-N	-1	0	281.308	0.655	20	30		CCEDRM
C#Cc1ccc(NC(=O)C(=O)NC[C@@H](CC)C(=O)[O-])cc1	ZINC001588439448	964029290	/nfs/dbraw/zinc/02/92/90/964029290.db2.gz	VMWUOPYWWHZKKL-LLVKDONJSA-N	-1	0	288.303	0.833	20	30		CCEDRM
C=C(C)Cn1c(CO)nnc1N1CC[C@](C)(C(=O)[O-])C1	ZINC001588441747	964053653	/nfs/dbraw/zinc/05/36/53/964053653.db2.gz	FGLOCWQBKJBRKQ-ZDUSSCGKSA-N	-1	0	280.328	0.648	20	30		CCEDRM
C=C1CCC(C(=O)OCC(=O)NCC(=O)[O-])CC1	ZINC001588445394	964066767	/nfs/dbraw/zinc/06/67/67/964066767.db2.gz	HTTUQHJKXXSNCJ-UHFFFAOYSA-N	-1	0	255.270	0.477	20	30		CCEDRM
C#CCN(CC(=O)[O-])C(=O)c1cc(Cl)ccn1	ZINC000092479116	967595439	/nfs/dbraw/zinc/59/54/39/967595439.db2.gz	RNXIIWTVNPPKGM-UHFFFAOYSA-N	-1	0	252.657	0.895	20	30		CCEDRM
C#CCN(CC(=O)[O-])S(=O)(=O)c1c(F)cccc1F	ZINC000092479557	967595796	/nfs/dbraw/zinc/59/57/96/967595796.db2.gz	RHSNDJFLJOAGRM-UHFFFAOYSA-N	-1	0	289.259	0.673	20	30		CCEDRM
C=CC(C)(C)CNC(=O)c1cn(CC(=O)[O-])nn1	ZINC000385045516	968126525	/nfs/dbraw/zinc/12/65/25/968126525.db2.gz	PJYWFZJACNYDGN-UHFFFAOYSA-N	-1	0	252.274	0.305	20	30		CCEDRM
CC(=O)NCCN(C(=O)C#CC(C)(C)C)[C@@H](C)C(=O)[O-]	ZINC001609663147	970438575	/nfs/dbraw/zinc/43/85/75/970438575.db2.gz	WNGBTOLZSBOETQ-JTQLQIEISA-N	-1	0	282.340	0.474	20	30		CCEDRM
C[C@@](C#N)(CC(=O)[O-])C(=O)NC[C@@H]1CCCC[C@H]1O	ZINC001609693032	970452335	/nfs/dbraw/zinc/45/23/35/970452335.db2.gz	PLSICBKIPAUSAO-CWSCBRNRSA-N	-1	0	268.313	0.658	20	30		CCEDRM
C[C@](C#N)(CC(=O)[O-])C(=O)OCc1csnn1	ZINC001609696252	970455711	/nfs/dbraw/zinc/45/57/11/970455711.db2.gz	GJWCWNPJZXIMJE-SECBINFHSA-N	-1	0	255.255	0.586	20	30		CCEDRM
COCCN(CCC#N)C(=O)c1cnc(C(=O)[O-])cn1	ZINC001610260156	970708330	/nfs/dbraw/zinc/70/83/30/970708330.db2.gz	LCXGYUDEBZBBAN-UHFFFAOYSA-N	-1	0	278.268	0.177	20	30		CCEDRM
C[C@H](O)C1CCN(C(=O)[C@](C)(C#N)CC(=O)[O-])CC1	ZINC001605049791	972664454	/nfs/dbraw/zinc/66/44/54/972664454.db2.gz	CIMYYJRXHUEDFR-ZANVPECISA-N	-1	0	268.313	0.610	20	30		CCEDRM
CO[C@H](C(=O)[O-])C(=O)OCc1ccc(C#N)s1	ZINC001604445534	973259079	/nfs/dbraw/zinc/25/90/79/973259079.db2.gz	JGQZNYCTKHUOOX-MRVPVSSYSA-N	-1	0	255.251	0.763	20	30		CCEDRM
C[C@@H]1CN(C(=O)[C@@H]2CC[C@@H]2C(=O)[O-])C[C@H](C)N1CC#N	ZINC001603451405	973263347	/nfs/dbraw/zinc/26/33/47/973263347.db2.gz	VXHQTSAWVKUNFC-KXNHARMFSA-N	-1	0	279.340	0.542	20	30		CCEDRM
C#C[C@H](CCC)NC(=O)N1C[C@H](C(=O)[O-])C[C@H](O)C1	ZINC000401821041	973420335	/nfs/dbraw/zinc/42/03/35/973420335.db2.gz	DMPASDQMUFMUSO-MXWKQRLJSA-N	-1	0	268.313	0.265	20	30		CCEDRM
Cc1nnc(NC[C@@](C)(O)C(=O)[O-])c(C#N)c1C	ZINC001605444485	973509777	/nfs/dbraw/zinc/50/97/77/973509777.db2.gz	KKPYBYVBYMPLGZ-LLVKDONJSA-N	-1	0	250.258	0.213	20	30		CCEDRM
C=CC[C@H](CC)NC(=O)N1C[C@@H](O)C[C@H](C(=O)[O-])C1	ZINC000401972514	973578922	/nfs/dbraw/zinc/57/89/22/973578922.db2.gz	OKDAPKOAZNAJKJ-DCAQKATOSA-N	-1	0	270.329	0.818	20	30		CCEDRM
COCCN(CC#N)Cc1cc(C(=O)[O-])nn1C	ZINC001604584366	973675234	/nfs/dbraw/zinc/67/52/34/973675234.db2.gz	PBEREAGFIFSHGB-UHFFFAOYSA-N	-1	0	252.274	0.090	20	30		CCEDRM
COCCOC[C@@H](C)NC(=O)[C@](C)(C#N)CC(=O)[O-]	ZINC001604617938	973737470	/nfs/dbraw/zinc/73/74/70/973737470.db2.gz	NXSKNVUBNHKKQK-SKDRFNHKSA-N	-1	0	272.301	0.159	20	30		CCEDRM
N#CCCNC(=O)NC[C@H]1CCC2(CC(C(=O)[O-])C2)O1	ZINC001605585605	973877550	/nfs/dbraw/zinc/87/75/50/973877550.db2.gz	GQDSFVUAJSJZJS-RUETXSTFSA-N	-1	0	281.312	0.612	20	30		CCEDRM
N#Cc1ccc(NCC(=O)N[C@H]2C[C@H](C(=O)[O-])C2)nc1	ZINC001605612683	973928285	/nfs/dbraw/zinc/92/82/85/973928285.db2.gz	OOCPYFGBLFZMLK-MGCOHNPYSA-N	-1	0	274.280	0.345	20	30		CCEDRM
N#Cc1cccc(C(=O)NCC2(C(=O)[O-])CCC2)n1	ZINC001605617593	973934539	/nfs/dbraw/zinc/93/45/39/973934539.db2.gz	OWCDHFAKIQWYOK-UHFFFAOYSA-N	-1	0	259.265	0.938	20	30		CCEDRM
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CCCN(CC(=O)[O-])[C@@H](C(N)=O)c1ccc(C#N)cc1	ZINC001603666641	974037889	/nfs/dbraw/zinc/03/78/89/974037889.db2.gz	LKPGOVBCOZCFNO-CYBMUJFWSA-N	-1	0	275.308	0.881	20	30		CCEDRM
CC(C)OC[C@@H](C(=O)[O-])N(C)C(=O)c1cccc(C#N)n1	ZINC001591709167	975578366	/nfs/dbraw/zinc/57/83/66/975578366.db2.gz	HFQSACFMQYIZPM-LBPRGKRZSA-N	-1	0	291.307	0.903	20	30		CCEDRM
C[C@@H](CS(=O)(=O)N1CCC[C@H](CC#N)C1)C(=O)[O-]	ZINC001592799769	979454534	/nfs/dbraw/zinc/45/45/34/979454534.db2.gz	ZNJKFSWBGXSOCS-VHSXEESVSA-N	-1	0	274.342	0.663	20	30		CCEDRM
C[C@H](CS(=O)(=O)NCC(C)(C)CCC#N)C(=O)[O-]	ZINC001592807980	979480139	/nfs/dbraw/zinc/48/01/39/979480139.db2.gz	OYLGQNRRKBAYBL-SECBINFHSA-N	-1	0	276.358	0.956	20	30		CCEDRM
CC[C@@H](O)CNN=Cc1c(C)nn(CCC(=O)[O-])c1C	ZINC001595330786	980568361	/nfs/dbraw/zinc/56/83/61/980568361.db2.gz	YPTWZXWANGXNQB-LLVKDONJSA-N	-1	0	282.344	0.669	20	30		CCEDRM
CCCC[C@@H](NC(N)=O)C(=O)N(CC#N)CCC(=O)[O-]	ZINC001595637663	981934071	/nfs/dbraw/zinc/93/40/71/981934071.db2.gz	OAATYAAZTQOOGJ-SECBINFHSA-N	-1	0	284.316	0.040	20	30		CCEDRM
CCCC[C@H](ON=C(C)C)C(=O)N[C@@](C)(CO)C(=O)[O-]	ZINC001595652861	982038071	/nfs/dbraw/zinc/03/80/71/982038071.db2.gz	YDOSJSPZVSYUDT-GWCFXTLKSA-N	-1	0	288.344	0.909	20	30		CCEDRM
CC[C@@H](C)[C@H](NC(=O)Cn1ccnc1C#N)C(=O)[O-]	ZINC001594908517	982399212	/nfs/dbraw/zinc/39/92/12/982399212.db2.gz	HCZKKGNDNWBOSA-KCJUWKMLSA-N	-1	0	264.285	0.370	20	30		CCEDRM
CCCCN(O)C(=O)CN1CCC[C@H](C(=O)[O-])C1=O	ZINC001595747234	982413475	/nfs/dbraw/zinc/41/34/75/982413475.db2.gz	CFUQYXPMHKOUQT-VIFPVBQESA-N	-1	0	272.301	0.328	20	30		CCEDRM
CCCCNC(=O)[C@@H](C)N1CCC(C#N)(C(=O)[O-])CC1	ZINC001595750796	982430733	/nfs/dbraw/zinc/43/07/33/982430733.db2.gz	FQJHGKGAIVPMRK-LLVKDONJSA-N	-1	0	281.356	0.982	20	30		CCEDRM
CCCNC(=O)CCC(=O)N(CC#N)CCC(=O)[O-]	ZINC001595919877	983026704	/nfs/dbraw/zinc/02/67/04/983026704.db2.gz	CPRKUSCNPIJSOI-UHFFFAOYSA-N	-1	0	269.301	0.120	20	30		CCEDRM
Cn1cc(C(=O)[O-])c(NC(=O)N2CCC[C@@H](C#N)C2)n1	ZINC001574211238	983191678	/nfs/dbraw/zinc/19/16/78/983191678.db2.gz	DZBPTYMQEVVSKG-QMMMGPOBSA-N	-1	0	277.284	0.886	20	30		CCEDRM
C#CC(C)(C)N(C)S(=O)(=O)N1CCC(C(=O)[O-])CC1	ZINC001588367138	983296805	/nfs/dbraw/zinc/29/68/05/983296805.db2.gz	JQLXEFULXSVHFM-UHFFFAOYSA-N	-1	0	288.369	0.371	20	30		CCEDRM
C#C[C@@](C)(CC)NS(=O)(=O)c1cc(C(=O)[O-])[nH]n1	ZINC001588367027	983296897	/nfs/dbraw/zinc/29/68/97/983296897.db2.gz	GJIWRJPPUBCRQY-JTQLQIEISA-N	-1	0	271.298	0.188	20	30		CCEDRM
C#C[C@@H](CC)NC(=O)C(=O)Nc1cccc(C(=O)[O-])n1	ZINC001588369114	983311138	/nfs/dbraw/zinc/31/11/38/983311138.db2.gz	BKJVZFVQZZNFOO-QMMMGPOBSA-N	-1	0	275.264	0.246	20	30		CCEDRM
C#C[C@H](CC)NC(=O)C(=O)Nc1ccc(CC(=O)[O-])cc1	ZINC001588369305	983313077	/nfs/dbraw/zinc/31/30/77/983313077.db2.gz	IAZSEIRCQIDAOO-LLVKDONJSA-N	-1	0	288.303	0.780	20	30		CCEDRM
C#C[C@H](CC)NS(=O)(=O)[C@H]1CCCC[C@H]1C(=O)[O-]	ZINC001588369388	983313367	/nfs/dbraw/zinc/31/33/67/983313367.db2.gz	KFWNFRMNTPWGFQ-MXWKQRLJSA-N	-1	0	273.354	0.961	20	30		CCEDRM
C#C[C@H](NC(=O)N1CC[C@H](C(=O)[O-])[C@@H]1C)[C@@H]1CCCO1	ZINC001588372145	983328776	/nfs/dbraw/zinc/32/87/76/983328776.db2.gz	DQTIMNBBRZEWQZ-BJDJZHNGSA-N	-1	0	280.324	0.672	20	30		CCEDRM
C#C[C@H](NC(=O)Cn1ccc(C(=O)[O-])n1)C(C)(C)C	ZINC001588372689	983332969	/nfs/dbraw/zinc/33/29/69/983332969.db2.gz	QPGHQZYGGBTCBC-JTQLQIEISA-N	-1	0	263.297	0.745	20	30		CCEDRM
C#CC1(F)CN(C(=O)Nc2ccc(C(=O)[O-])nc2)C1	ZINC001588375595	983345986	/nfs/dbraw/zinc/34/59/86/983345986.db2.gz	COYQKKGZLBCTRK-UHFFFAOYSA-N	-1	0	263.228	0.969	20	30		CCEDRM
C#C[C@H](NS(=O)(=O)CC(C)(C)C(=O)[O-])[C@@H]1CCCO1	ZINC001588377240	983355725	/nfs/dbraw/zinc/35/57/25/983355725.db2.gz	JYTQJYOLBQIMIG-UWVGGRQHSA-N	-1	0	289.353	0.197	20	30		CCEDRM
C#CC1(O)CN(C(=O)Nc2ccc(C(=O)[O-])s2)C1	ZINC001588379782	983366074	/nfs/dbraw/zinc/36/60/74/983366074.db2.gz	RMMOKMBQTNMQDN-UHFFFAOYSA-N	-1	0	266.278	0.658	20	30		CCEDRM
C#C[C@@H]1CCCN(C(=O)C(=O)N2CC[C@@H](C(=O)[O-])[C@@H]2C)C1	ZINC001588383214	983378838	/nfs/dbraw/zinc/37/88/38/983378838.db2.gz	ZUMWWFPRQFAXDP-QJPTWQEYSA-N	-1	0	292.335	0.180	20	30		CCEDRM
C#CC[C@@H](COC)NS(=O)(=O)CC(C)(C)C(=O)[O-]	ZINC001588395850	983406910	/nfs/dbraw/zinc/40/69/10/983406910.db2.gz	UJJPCZWDXGZRMV-VIFPVBQESA-N	-1	0	277.342	0.055	20	30		CCEDRM
C#CC[C@@H](NC(=O)C(=O)c1cc(F)ccc1C)C(=O)[O-]	ZINC001588396599	983409417	/nfs/dbraw/zinc/40/94/17/983409417.db2.gz	ZVJIBHQWIWCWGS-LLVKDONJSA-N	-1	0	277.251	0.910	20	30		CCEDRM
C#CC[C@H](NC(=O)COc1ccccc1C=O)C(=O)[O-]	ZINC001588404454	983417917	/nfs/dbraw/zinc/41/79/17/983417917.db2.gz	BSYOKXXNJBFCMV-NSHDSACASA-N	-1	0	275.260	0.471	20	30		CCEDRM
C#CC[C@@H](NC(=O)/C=C\c1cc(C(=O)[O-])co1)C(=O)OC	ZINC001588405721	983422539	/nfs/dbraw/zinc/42/25/39/983422539.db2.gz	IMGIVLBOOFXKCA-ISALQUGTSA-N	-1	0	291.259	0.672	20	30		CCEDRM
C#CC[C@@H](NC(=O)c1cc(F)cc(C(=O)[O-])c1)C(=O)OC	ZINC001588413536	983431175	/nfs/dbraw/zinc/43/11/75/983431175.db2.gz	ALUDKVUSDKBKNE-LLVKDONJSA-N	-1	0	293.250	0.819	20	30		CCEDRM
C#CC[C@H](NC(=O)c1c(C)ccc(F)c1N)C(=O)[O-]	ZINC001588414247	983433381	/nfs/dbraw/zinc/43/33/81/983433381.db2.gz	PULZXZLVQXDXAU-VIFPVBQESA-N	-1	0	264.256	0.923	20	30		CCEDRM
C#CC[C@H](NC(=O)c1cccc([S@@](C)=O)c1)C(=O)[O-]	ZINC001588416847	983437551	/nfs/dbraw/zinc/43/75/51/983437551.db2.gz	RPWUJEKMPWDFCF-JEOXALJRSA-N	-1	0	279.317	0.630	20	30		CCEDRM
C#CC[C@H](NCc1cc(C(=O)[O-])c(C)o1)C(=O)OC	ZINC001588423072	983450355	/nfs/dbraw/zinc/45/03/55/983450355.db2.gz	VVNQJSYUPHJXRB-NSHDSACASA-N	-1	0	265.265	0.941	20	30		CCEDRM
C#CC[C@H](NS(=O)(=O)c1ccccc1C=O)C(=O)[O-]	ZINC001588428209	983460633	/nfs/dbraw/zinc/46/06/33/983460633.db2.gz	FYXKRDMIAMENTF-JTQLQIEISA-N	-1	0	281.289	0.254	20	30		CCEDRM
C#CC[C@@H](NS(=O)(=O)c1cnn(CC2CC2)c1)C(=O)[O-]	ZINC001588428452	983461719	/nfs/dbraw/zinc/46/17/19/983461719.db2.gz	PCXZUOVFUDNKNY-LLVKDONJSA-N	-1	0	297.336	0.048	20	30		CCEDRM
C#CC[C@H](NS(=O)(=O)c1ccc(Cl)nc1)C(=O)[O-]	ZINC001588428525	983462084	/nfs/dbraw/zinc/46/20/84/983462084.db2.gz	RSNOTJHCIYGAKV-QMMMGPOBSA-N	-1	0	288.712	0.490	20	30		CCEDRM
C#CC[C@H]1CCN(C(=O)NC[C@H]2CCO[C@H]2C(=O)[O-])C1	ZINC001588434920	983473495	/nfs/dbraw/zinc/47/34/95/983473495.db2.gz	XTZMQIZOGLSTCP-QJPTWQEYSA-N	-1	0	280.324	0.531	20	30		CCEDRM
C#CCCNC(=O)N1CCc2ccc(C(=O)[O-])nc2C1	ZINC001588453580	983476164	/nfs/dbraw/zinc/47/61/64/983476164.db2.gz	FBTYJLAGKFJCDP-UHFFFAOYSA-N	-1	0	273.292	0.871	20	30		CCEDRM
C#CCCOC(=O)CCCn1ccc(C(=O)[O-])n1	ZINC001588455073	983478284	/nfs/dbraw/zinc/47/82/84/983478284.db2.gz	BWHSDYGYDYEMCG-UHFFFAOYSA-N	-1	0	250.254	0.928	20	30		CCEDRM
C#CCCOC(=O)N1C[C@@H](C(=O)[O-])CC[C@H]1C(=O)OC	ZINC001588455675	983480642	/nfs/dbraw/zinc/48/06/42/983480642.db2.gz	QTFQMGVBHPGFII-UWVGGRQHSA-N	-1	0	283.280	0.485	20	30		CCEDRM
C#CCCS(=O)(=O)N[C@H](C(=O)[O-])c1ccsc1	ZINC001588457613	983482141	/nfs/dbraw/zinc/48/21/41/983482141.db2.gz	FCZODKIIVUNSKS-VIFPVBQESA-N	-1	0	273.335	0.817	20	30		CCEDRM
C#CCN(C1CSC1)S(=O)(=O)C[C@H](C)C(=O)[O-]	ZINC001588464648	983493867	/nfs/dbraw/zinc/49/38/67/983493867.db2.gz	APLWANNPSHGVTP-QMMMGPOBSA-N	-1	0	277.367	0.088	20	30		CCEDRM
C#CCN(CC#N)C(=O)c1c(C)[nH]c(C(=O)[O-])c1C	ZINC001588464788	983494644	/nfs/dbraw/zinc/49/46/44/983494644.db2.gz	LIWCERDNYZKRAO-UHFFFAOYSA-N	-1	0	259.265	0.929	20	30		CCEDRM
C#CCN(CC1CC1)S(=O)(=O)c1cc(C(=O)[O-])[nH]n1	ZINC001588468576	983501468	/nfs/dbraw/zinc/50/14/68/983501468.db2.gz	ZNWLAJHXHBJBHE-UHFFFAOYSA-N	-1	0	283.309	0.142	20	30		CCEDRM
C#CCN1CCC[C@H](NC(=O)NCCCCC(=O)[O-])C1	ZINC001588476604	983511996	/nfs/dbraw/zinc/51/19/96/983511996.db2.gz	OTWDBOQVVPIJMI-LBPRGKRZSA-N	-1	0	281.356	0.638	20	30		CCEDRM
C#CCNC(=O)N[C@H](C)c1ncc(C(=O)[O-])s1	ZINC001588484005	983522785	/nfs/dbraw/zinc/52/27/85/983522785.db2.gz	NRXJKGWDQJHYFS-ZCFIWIBFSA-N	-1	0	253.283	0.835	20	30		CCEDRM
C#CCO[C@@H](C)C(=O)N(C)Cc1ccc(C(=O)[O-])cn1	ZINC001588490199	983531442	/nfs/dbraw/zinc/53/14/42/983531442.db2.gz	IQAIGCQRDQZPMJ-JTQLQIEISA-N	-1	0	276.292	0.777	20	30		CCEDRM
C#CCO[C@@H](C)C(=O)Nc1nc(C(=O)[O-])ns1	ZINC001588490622	983533392	/nfs/dbraw/zinc/53/33/92/983533392.db2.gz	ROYNLNWOBWMZTJ-YFKPBYRVSA-N	-1	0	255.255	0.213	20	30		CCEDRM
C=C(C)C(C)(C)C(=O)N(C)CCNC(=O)[C@H]1C[C@@H]1C(=O)[O-]	ZINC001588529979	983583160	/nfs/dbraw/zinc/58/31/60/983583160.db2.gz	OFJQQNNKTZTCNG-QWRGUYRKSA-N	-1	0	296.367	0.884	20	30		CCEDRM
C=C(C)C(C)(C)C(=O)N[C@@H](Cn1cncn1)C(=O)[O-]	ZINC001588530165	983583411	/nfs/dbraw/zinc/58/34/11/983583411.db2.gz	SRLVDMWUNYMQMO-VIFPVBQESA-N	-1	0	266.301	0.450	20	30		CCEDRM
C=C(C)[C@@H](CC(=O)N[C@H](C(=O)[O-])[C@@H](C)O)OCC	ZINC001588536006	983591738	/nfs/dbraw/zinc/59/17/38/983591738.db2.gz	TVCNVLBSUYRJGJ-KKZNHRDASA-N	-1	0	259.302	0.308	20	30		CCEDRM
C=C(C)C[C@@H](NC(=O)[C@H]1CCCS(=O)(=O)C1)C(=O)[O-]	ZINC001588540281	983603118	/nfs/dbraw/zinc/60/31/18/983603118.db2.gz	CDSKKQSVRQFDFI-VHSXEESVSA-N	-1	0	289.353	0.347	20	30		CCEDRM
C=C(C)C[C@H](NC(=O)/C=C1\SCC(=O)N1C)C(=O)[O-]	ZINC001588540325	983603579	/nfs/dbraw/zinc/60/35/79/983603579.db2.gz	CYHRFIJVRHOUDJ-SDZLHINSSA-N	-1	0	284.337	0.569	20	30		CCEDRM
C=C(C)C[C@@H](NC(=O)[C@H]1CCCn2ncnc21)C(=O)[O-]	ZINC001588540767	983604861	/nfs/dbraw/zinc/60/48/61/983604861.db2.gz	MMJHKFIQIMVSGQ-VHSXEESVSA-N	-1	0	278.312	0.691	20	30		CCEDRM
C=C(C)C[C@@H](NC(=O)CSc1nncn1C)C(=O)[O-]	ZINC001588542622	983609240	/nfs/dbraw/zinc/60/92/40/983609240.db2.gz	NWKFUYKLPHTQRC-MRVPVSSYSA-N	-1	0	284.341	0.443	20	30		CCEDRM
C=C(C)C[C@H](NC(C)=O)C(=O)NC[C@H]1CCO[C@H]1C(=O)[O-]	ZINC001588547561	983620757	/nfs/dbraw/zinc/62/07/57/983620757.db2.gz	LNQVETZDVGGWRW-GRYCIOLGSA-N	-1	0	298.339	0.063	20	30		CCEDRM
C=C(C)CCNC(=O)NCCC(=O)NCCC(=O)[O-]	ZINC001588559818	983640724	/nfs/dbraw/zinc/64/07/24/983640724.db2.gz	UMAQJROYLHNYDT-UHFFFAOYSA-N	-1	0	271.317	0.233	20	30		CCEDRM
C=C(CCC(=O)[O-])C(=O)N(C)[C@H](C)[C@H](C)S(C)(=O)=O	ZINC001588606916	983699061	/nfs/dbraw/zinc/69/90/61/983699061.db2.gz	MEVRKLVCFCBGBQ-ZJUUUORDSA-N	-1	0	291.369	0.687	20	30		CCEDRM
C=C(CCC(=O)[O-])C(=O)N1C[C@H](C)[C@@](C)(CO)C1	ZINC001588612202	983702167	/nfs/dbraw/zinc/70/21/67/983702167.db2.gz	KWGIVLKKSCYULE-GXFFZTMASA-N	-1	0	255.314	0.884	20	30		CCEDRM
C=C(CCC(=O)[O-])C(=O)N1C[C@H](C)[C@](C)(CO)C1	ZINC001588612201	983702308	/nfs/dbraw/zinc/70/23/08/983702308.db2.gz	KWGIVLKKSCYULE-GWCFXTLKSA-N	-1	0	255.314	0.884	20	30		CCEDRM
C=C(CCC(=O)[O-])C(=O)N[C@H]1CCN(C(=O)NCC)C1	ZINC001588622663	983724631	/nfs/dbraw/zinc/72/46/31/983724631.db2.gz	BQOFLNIMXHYBNB-JTQLQIEISA-N	-1	0	283.328	0.327	20	30		CCEDRM
C=C(CCC(=O)[O-])C(=O)N[C@@H]1CCn2cncc2C1	ZINC001588623579	983728963	/nfs/dbraw/zinc/72/89/63/983728963.db2.gz	SYFLASAZMMPSRZ-SNVBAGLBSA-N	-1	0	263.297	0.735	20	30		CCEDRM
C=C(CCC(=O)[O-])C(=O)NC[C@@]1(OC)CCOC1	ZINC001588623787	983729741	/nfs/dbraw/zinc/72/97/41/983729741.db2.gz	XKAZMMCVOZABQY-LBPRGKRZSA-N	-1	0	257.286	0.329	20	30		CCEDRM
C=C1CCC(C(=O)N2CC(=O)N(C)C[C@@H]2C(=O)[O-])CC1	ZINC001588644179	983768694	/nfs/dbraw/zinc/76/86/94/983768694.db2.gz	GEVYRPBXYNKVPR-LLVKDONJSA-N	-1	0	280.324	0.487	20	30		CCEDRM
C=C[C@H](C(=O)[O-])N1CCN(C(=O)N2CCCC2)CC1	ZINC001588662799	983791859	/nfs/dbraw/zinc/79/18/59/983791859.db2.gz	HTVSRPPDMNKTEG-LLVKDONJSA-N	-1	0	267.329	0.459	20	30		CCEDRM
CCN(CCS(C)(=O)=O)c1ccc(C(=O)[O-])nc1C#N	ZINC001596346952	983796559	/nfs/dbraw/zinc/79/65/59/983796559.db2.gz	KYHANFGDVMVDAQ-UHFFFAOYSA-N	-1	0	297.336	0.522	20	30		CCEDRM
C=C[C@H](C(=O)[O-])N1CCN(c2ncccc2[N+](=O)[O-])CC1	ZINC001588669750	983814557	/nfs/dbraw/zinc/81/45/57/983814557.db2.gz	OQLQMOPDTHIDPY-SNVBAGLBSA-N	-1	0	292.295	0.751	20	30		CCEDRM
C=CC(C)(C)C(=O)N[C@H](CC1OCCO1)C(=O)[O-]	ZINC001588671737	983821963	/nfs/dbraw/zinc/82/19/63/983821963.db2.gz	HSTLSAPVIXXANI-MRVPVSSYSA-N	-1	0	257.286	0.531	20	30		CCEDRM
C=CC(C)(C)CC(=O)N(CC(=O)[O-])CC(=O)OC	ZINC001588672019	983823355	/nfs/dbraw/zinc/82/33/55/983823355.db2.gz	NBKZLTYUYWWFFM-UHFFFAOYSA-N	-1	0	257.286	0.675	20	30		CCEDRM
C=C[C@@H](C(=O)OC)n1cc(CC(C)(C)C(=O)[O-])nn1	ZINC001588672560	983826167	/nfs/dbraw/zinc/82/61/67/983826167.db2.gz	WCLYTYHAGYIMEV-VIFPVBQESA-N	-1	0	267.285	0.832	20	30		CCEDRM
C=C[C@](C)(O)C(=O)NCc1c(C)nn(CC(=O)[O-])c1C	ZINC001588681887	983842559	/nfs/dbraw/zinc/84/25/59/983842559.db2.gz	FWILUKLDSFYMCV-ZDUSSCGKSA-N	-1	0	281.312	0.138	20	30		CCEDRM
C=C[C@](C)(CCOC)C(=O)N1C[C@H](C(=O)[O-])C[C@H](O)C1	ZINC001588682557	983844250	/nfs/dbraw/zinc/84/42/50/983844250.db2.gz	NRQUIWXTRXEZLJ-UHIISALHSA-N	-1	0	285.340	0.509	20	30		CCEDRM
C=C[C@](C)(O)CC(=O)N1CC[C@@H](OC)C[C@@H]1C(=O)[O-]	ZINC001588683886	983852479	/nfs/dbraw/zinc/85/24/79/983852479.db2.gz	GNBZZJNKIWRSQP-BREBYQMCSA-N	-1	0	271.313	0.404	20	30		CCEDRM
C=C[C@H](COC)NC(=O)N1C[C@H]2[C@H](C(=O)[O-])[C@H]2C1	ZINC001588692784	983886681	/nfs/dbraw/zinc/88/66/81/983886681.db2.gz	JXGWFQPXIIJJED-IMSYWVGJSA-N	-1	0	254.286	0.159	20	30		CCEDRM
C=C[C@@H](COC)NC(=O)C(=O)N1CCC[C@](C)(C(=O)[O-])C1	ZINC001588693057	983889748	/nfs/dbraw/zinc/88/97/48/983889748.db2.gz	QCGLKWTZRVAKJX-HZMBPMFUSA-N	-1	0	298.339	0.017	20	30		CCEDRM
C=C[C@@H](COC)NS(=O)(=O)c1scnc1C(=O)[O-]	ZINC001588693095	983889991	/nfs/dbraw/zinc/88/99/91/983889991.db2.gz	RDTCKMUCXQTDMN-LURJTMIESA-N	-1	0	292.338	0.321	20	30		CCEDRM
C=C[C@H](N[C@@H]1Cc2ccccc2N(C)C1=O)C(=O)[O-]	ZINC001588696413	983903105	/nfs/dbraw/zinc/90/31/05/983903105.db2.gz	NOYKNAGUOBGVIU-WDEREUQCSA-N	-1	0	260.293	0.803	20	30		CCEDRM
C=C[C@@H]([NH2+][C@@H]1CON(C(=O)OC(C)(C)C)C1)C(=O)[O-]	ZINC001588702547	983920994	/nfs/dbraw/zinc/92/09/94/983920994.db2.gz	UIURLLGDNHHUKD-DTWKUNHWSA-N	-1	0	272.301	0.766	20	30		CCEDRM
C=C[C@H](OC(=O)Cc1ccc(OC)cn1)C(=O)[O-]	ZINC001588710612	983933235	/nfs/dbraw/zinc/93/32/35/983933235.db2.gz	GATCYAJMNLASSA-JTQLQIEISA-N	-1	0	251.238	0.815	20	30		CCEDRM
C=C[C@@H](OC(=O)[C@H]1CC[C@@H](CCC(=O)OC)O1)C(=O)[O-]	ZINC001588711783	983939749	/nfs/dbraw/zinc/93/97/49/983939749.db2.gz	CXRXOLAGQQRMIJ-IVZWLZJFSA-N	-1	0	286.280	0.670	20	30		CCEDRM
C=CC[C@H](C)NC(=O)C(=O)Nc1c(C(=O)[O-])cnn1C	ZINC001588736081	984022711	/nfs/dbraw/zinc/02/27/11/984022711.db2.gz	DERSJEZDFORBKO-ZETCQYMHSA-N	-1	0	280.284	0.138	20	30		CCEDRM
C=CC[C@H](N[C@@H](C[C@H]1CCCO1)C(=O)OC)C(=O)[O-]	ZINC001588746779	984059983	/nfs/dbraw/zinc/05/99/83/984059983.db2.gz	WCJZCBHLQYJJLS-VWYCJHECSA-N	-1	0	271.313	0.716	20	30		CCEDRM
C=CC[C@H](OC(=O)Cc1nnn(C(C)(C)C)n1)C(=O)[O-]	ZINC001588753326	984084795	/nfs/dbraw/zinc/08/47/95/984084795.db2.gz	FSSHPVTZZXZCGO-QMMMGPOBSA-N	-1	0	282.300	0.543	20	30		CCEDRM
CCN1CCN(Cc2cccc(C(=O)[O-])c2C#N)CC1=O	ZINC001596436209	984117432	/nfs/dbraw/zinc/11/74/32/984117432.db2.gz	LEMRAJFTFDBPMV-UHFFFAOYSA-N	-1	0	287.319	0.921	20	30		CCEDRM
C=CCCC(=O)N(C)CCNC(=O)[C@H]1C[C@H]1C(=O)[O-]	ZINC001588773637	984148312	/nfs/dbraw/zinc/14/83/12/984148312.db2.gz	CHAXYVKQLIZOEF-VHSXEESVSA-N	-1	0	268.313	0.248	20	30		CCEDRM
C=CCCC(=O)O[C@H]1CCCN(CCC(=O)[O-])C1=O	ZINC001588776801	984153653	/nfs/dbraw/zinc/15/36/53/984153653.db2.gz	HFVYKYSBCBJEAQ-JTQLQIEISA-N	-1	0	269.297	0.962	20	30		CCEDRM
C=CCCC[C@@H](NC(=O)CNC(=O)OC)C(=O)[O-]	ZINC001588788795	984193138	/nfs/dbraw/zinc/19/31/38/984193138.db2.gz	OFTWOAIGYJPUBM-MRVPVSSYSA-N	-1	0	258.274	0.268	20	30		CCEDRM
C=CCCC[C@H](NC(=O)[C@H]1CSC(=O)N1)C(=O)[O-]	ZINC001588789629	984199971	/nfs/dbraw/zinc/19/99/71/984199971.db2.gz	GSKLVERSKHEPTL-JGVFFNPUSA-N	-1	0	272.326	0.737	20	30		CCEDRM
C=CCCC[C@@H](NC(=O)[C@@H]1CN(C(C)=O)CCO1)C(=O)[O-]	ZINC001588790274	984205126	/nfs/dbraw/zinc/20/51/26/984205126.db2.gz	UQFPNEZAODDULB-NEPJUHHUSA-N	-1	0	298.339	0.159	20	30		CCEDRM
C=CCCC[C@H](NC(=O)c1cc(=O)cc[nH]1)C(=O)[O-]	ZINC001588792911	984214461	/nfs/dbraw/zinc/21/44/61/984214461.db2.gz	PQDMFUOGZWAETL-JTQLQIEISA-N	-1	0	264.281	0.914	20	30		CCEDRM
C=CCCC[C@@H](NC(=O)[C@H]1C[C@H]1C(=O)[O-])C(=O)OC	ZINC001588794483	984227633	/nfs/dbraw/zinc/22/76/33/984227633.db2.gz	VZUGRWLUGYANHL-IVZWLZJFSA-N	-1	0	269.297	0.721	20	30		CCEDRM
C=CCCCN(CC)C(=O)C(=O)NC[C@H](F)C(=O)[O-]	ZINC001588801688	984246834	/nfs/dbraw/zinc/24/68/34/984246834.db2.gz	UGWAVOKNBQUVLJ-VIFPVBQESA-N	-1	0	274.292	0.340	20	30		CCEDRM
C=CCCCn1nnnc1N1CC[C@](OC)(C(=O)[O-])C1	ZINC001588805999	984257457	/nfs/dbraw/zinc/25/74/57/984257457.db2.gz	XMMGRWUAMQZFCV-GFCCVEGCSA-N	-1	0	281.316	0.319	20	30		CCEDRM
C=CCCn1cc(C(=O)N[C@](CC)(COC)C(=O)[O-])nn1	ZINC001588817624	984277198	/nfs/dbraw/zinc/27/71/98/984277198.db2.gz	QUVVJEOMHKOZEL-CYBMUJFWSA-N	-1	0	296.327	0.464	20	30		CCEDRM
C=CCN1CC[C@@H](N(C)C(=O)c2cc(C(=O)[O-])no2)C1=O	ZINC001588836557	984328322	/nfs/dbraw/zinc/32/83/22/984328322.db2.gz	BBCAJVCSEMENNT-SECBINFHSA-N	-1	0	293.279	0.232	20	30		CCEDRM
C=CCN1CC[C@@H](OC(=O)c2ccnc(C(=O)[O-])c2)C1=O	ZINC001588839473	984346842	/nfs/dbraw/zinc/34/68/42/984346842.db2.gz	RDJARXIGKHXHMW-LLVKDONJSA-N	-1	0	290.275	0.724	20	30		CCEDRM
C=CCN1CC[C@@H](N[C@@](C)(Cn2cccn2)C(=O)[O-])C1=O	ZINC001588839457	984346861	/nfs/dbraw/zinc/34/68/61/984346861.db2.gz	RTAVZAMQNWQMSX-RISCZKNCSA-N	-1	0	292.339	0.103	20	30		CCEDRM
C=CCO[C@@H]1CCN(c2ncnc(C(=O)[O-])c2OC)C1	ZINC001588849775	984374983	/nfs/dbraw/zinc/37/49/83/984374983.db2.gz	JFGWAQFSCHGONU-SECBINFHSA-N	-1	0	279.296	0.965	20	30		CCEDRM
C=CCOC[C@@H](NC(=O)CN1CC(C)(C)C1)C(=O)[O-]	ZINC001588853561	984384411	/nfs/dbraw/zinc/38/44/11/984384411.db2.gz	ALBWKFZHEWICFV-SNVBAGLBSA-N	-1	0	270.329	0.100	20	30		CCEDRM
C=CCOC[C@H](NC(=O)[C@@H](CC)N1CCCC1=O)C(=O)[O-]	ZINC001588856455	984400419	/nfs/dbraw/zinc/40/04/19/984400419.db2.gz	ZOROYPCHSPWLQK-WDEREUQCSA-N	-1	0	298.339	0.159	20	30		CCEDRM
C=CCOC[C@@H](NC(=O)Cc1ccc(F)cn1)C(=O)[O-]	ZINC001588857002	984402402	/nfs/dbraw/zinc/40/24/02/984402402.db2.gz	UYZPCYJXENABIA-LLVKDONJSA-N	-1	0	282.271	0.535	20	30		CCEDRM
C=CCOC[C@H](NC(=O)c1c[nH]c(=O)cc1C)C(=O)[O-]	ZINC001588859179	984403998	/nfs/dbraw/zinc/40/39/98/984403998.db2.gz	CACCNGWCPXAFGD-JTQLQIEISA-N	-1	0	280.280	0.481	20	30		CCEDRM
C=CCOCCCNC(=O)C(=O)N1CCC[C@H]1CC(=O)[O-]	ZINC001588866302	984423923	/nfs/dbraw/zinc/42/39/23/984423923.db2.gz	FACIGTARWNUWTB-NSHDSACASA-N	-1	0	298.339	0.161	20	30		CCEDRM
C=CCONC(=O)N1CCC(O)(C2(C(=O)[O-])CCC2)CC1	ZINC001588868940	984436471	/nfs/dbraw/zinc/43/64/71/984436471.db2.gz	ZZLSVHURELNQSY-UHFFFAOYSA-N	-1	0	298.339	0.895	20	30		CCEDRM
C=CCn1c(CCO)nnc1N1CCC[C@](C)(C(=O)[O-])C1	ZINC001588900701	984521572	/nfs/dbraw/zinc/52/15/72/984521572.db2.gz	LPAIDVBLASVDKF-AWEZNQCLSA-N	-1	0	294.355	0.690	20	30		CCEDRM
C=C[C@@H]1OCC[C@H]1C(=O)N1CC[C@]2(CC(C(=O)[O-])=NO2)C1	ZINC001588916791	984563404	/nfs/dbraw/zinc/56/34/04/984563404.db2.gz	FFGHGCYTDBNFGU-PUYPPJJSSA-N	-1	0	294.307	0.410	20	30		CCEDRM
C=C[C@@H]1OCCC[C@H]1NC(=O)Nc1ccn(CC(=O)[O-])n1	ZINC001588917055	984565159	/nfs/dbraw/zinc/56/51/59/984565159.db2.gz	MNPSCORCWDXFRB-ZJUUUORDSA-N	-1	0	294.311	0.823	20	30		CCEDRM
C=C[C@@H]1OCC[C@H]1C(=O)N1CCC([C@@H](O)C(=O)[O-])CC1	ZINC001588917368	984566870	/nfs/dbraw/zinc/56/68/70/984566870.db2.gz	XUUUPRMBGVSJNC-GRYCIOLGSA-N	-1	0	283.324	0.262	20	30		CCEDRM
C=C[C@H](CO)NC(=O)N[C@H]1C[C@H]2C[C@H](C(=O)[O-])C[C@H]21	ZINC001588920134	984576264	/nfs/dbraw/zinc/57/62/64/984576264.db2.gz	TZXLFFJARRGLRA-QGKZMRNZSA-N	-1	0	268.313	0.332	20	30		CCEDRM
CC#CCCN1C[C@H](C(=O)[O-])CC[C@H]1C(=O)OC	ZINC001588927151	984597137	/nfs/dbraw/zinc/59/71/37/984597137.db2.gz	OYIIQOGEUVRFIZ-MNOVXSKESA-N	-1	0	253.298	0.738	20	30		CCEDRM
CC#CCCNS(=O)(=O)c1cc(C(=O)[O-])c(C)o1	ZINC001588927208	984597414	/nfs/dbraw/zinc/59/74/14/984597414.db2.gz	PXQACCKNCHDFNI-UHFFFAOYSA-N	-1	0	271.294	0.978	20	30		CCEDRM
CC#CCNC(=O)C(=O)Nc1cc(F)c(C(=O)[O-])c(F)c1	ZINC001588931409	984602912	/nfs/dbraw/zinc/60/29/12/984602912.db2.gz	ULAWSMQSBSTGFN-UHFFFAOYSA-N	-1	0	296.229	0.741	20	30		CCEDRM
CCOC(=O)c1c(C)ccnc1CN(CC#N)CC(=O)[O-]	ZINC001596696763	984843043	/nfs/dbraw/zinc/84/30/43/984843043.db2.gz	QOOIRSNOKIFAFX-UHFFFAOYSA-N	-1	0	291.307	0.977	20	30		CCEDRM
C[C@H]1CN(C(=O)C#Cc2ccccc2)C[C@@H](C(=O)[O-])O1	ZINC001599908680	984956714	/nfs/dbraw/zinc/95/67/14/984956714.db2.gz	CDIPTRJTUKODNA-AAEUAGOBSA-N	-1	0	273.288	0.739	20	30		CCEDRM
C[C@@H]1CN(C(=O)c2cc(C(=O)[O-])on2)C[C@H](C)N1CC#N	ZINC001594490194	985599433	/nfs/dbraw/zinc/59/94/33/985599433.db2.gz	WSGORSIAPSLUDL-DTORHVGOSA-N	-1	0	292.295	0.431	20	30		CCEDRM
CC(=O)Nc1ccc(O)c(C(=O)N(CC#N)CC(=O)[O-])c1	ZINC001589199342	985630360	/nfs/dbraw/zinc/63/03/60/985630360.db2.gz	GACRHKUEGQCSKY-UHFFFAOYSA-N	-1	0	291.263	0.401	20	30		CCEDRM
CCOC[C@@H](C(=O)[O-])N(C)C(=O)c1cccc(C#N)n1	ZINC001596878576	985743944	/nfs/dbraw/zinc/74/39/44/985743944.db2.gz	HLCXUJRBEZWQSK-NSHDSACASA-N	-1	0	277.280	0.515	20	30		CCEDRM
C[C@H](C#N)C(=O)N[C@H](Cc1cncs1)C(=O)[O-]	ZINC001589329060	986160059	/nfs/dbraw/zinc/16/00/59/986160059.db2.gz	IEZXOTJEEQGDRY-HTRCEHHLSA-N	-1	0	253.283	0.415	20	30		CCEDRM
C[C@@H](C#N)CN(C)C(=O)COCc1ocnc1C(=O)[O-]	ZINC001589329200	986162515	/nfs/dbraw/zinc/16/25/15/986162515.db2.gz	LJFIMBKRYMORRG-QMMMGPOBSA-N	-1	0	281.268	0.507	20	30		CCEDRM
C[C@H](C#N)CNC(=O)C(=O)Nc1ccc(F)c(C(=O)[O-])c1	ZINC001589330690	986177397	/nfs/dbraw/zinc/17/73/97/986177397.db2.gz	NOXORAYYZDVXJT-SSDOTTSWSA-N	-1	0	293.254	0.738	20	30		CCEDRM
C[C@@H](C#N)CNC(=O)C(=O)Nc1ccsc1C(=O)[O-]	ZINC001589331001	986181875	/nfs/dbraw/zinc/18/18/75/986181875.db2.gz	YCQKZISODQTACN-LURJTMIESA-N	-1	0	281.293	0.661	20	30		CCEDRM
C[C@H](C#N)N(C(=O)c1cnc(C(=O)[O-])cn1)C1CC1	ZINC001589332020	986195617	/nfs/dbraw/zinc/19/56/17/986195617.db2.gz	VXHMHCZIXXKBBJ-SSDOTTSWSA-N	-1	0	260.253	0.691	20	30		CCEDRM
C[C@@H]1CN(c2ccc(C(=O)[O-])nc2C#N)C[C@H](CO)O1	ZINC001594569800	986384054	/nfs/dbraw/zinc/38/40/54/986384054.db2.gz	QXDNRHZQAGRADJ-RKDXNWHRSA-N	-1	0	277.280	0.237	20	30		CCEDRM
CCOc1cccc(CC(=O)N(CC#N)CCC(=O)[O-])n1	ZINC001597149279	986917857	/nfs/dbraw/zinc/91/78/57/986917857.db2.gz	DYBLKBPUDZCQLZ-UHFFFAOYSA-N	-1	0	291.307	0.850	20	30		CCEDRM
CC[C@H](C#N)C(=O)N1CC[C@H](OC)C[C@@H]1C(=O)[O-]	ZINC001594721751	987205053	/nfs/dbraw/zinc/20/50/53/987205053.db2.gz	BTAZBXSJGDAJAN-KXUCPTDWSA-N	-1	0	254.286	0.627	20	30		CCEDRM
CC[C@H](C#N)C(=O)N1CC[C@@H](n2cc(C(=O)[O-])nn2)C1	ZINC001594722664	987214992	/nfs/dbraw/zinc/21/49/92/987214992.db2.gz	SHDRSARCEVRELK-RKDXNWHRSA-N	-1	0	277.284	0.299	20	30		CCEDRM
CC[S@](=O)CC(=O)O[C@H](C(=O)[O-])c1cccc(C#N)c1	ZINC001597248795	987230068	/nfs/dbraw/zinc/23/00/68/987230068.db2.gz	CTYFOYLZWMFHJN-YUNKPMOVSA-N	-1	0	295.316	0.996	20	30		CCEDRM
C[C@H](C(=O)O[C@H]1CCCC[C@H]1C(=O)[O-])n1cnc(C#N)n1	ZINC001589542690	987254898	/nfs/dbraw/zinc/25/48/98/987254898.db2.gz	FJBVOOPRYJWCOK-BBBLOLIVSA-N	-1	0	292.295	0.897	20	30		CCEDRM
CC(C)(C)C#CC(=O)NCCNc1ncc(C(=O)[O-])cn1	ZINC001589684980	987724607	/nfs/dbraw/zinc/72/46/07/987724607.db2.gz	SMYDXQGMETZHTR-UHFFFAOYSA-N	-1	0	290.323	0.752	20	30		CCEDRM
CCc1nc(C#N)cc(N2C[C@@H](C)O[C@H](C(=O)[O-])C2)n1	ZINC001597645153	988661241	/nfs/dbraw/zinc/66/12/41/988661241.db2.gz	MFFBYNAXVYTEHB-SCZZXKLOSA-N	-1	0	276.296	0.589	20	30		CCEDRM
C[C@]12CN(CC#N)C[C@@]1(C)CN(C(=O)[C@@H]1C[C@@H]1C(=O)[O-])C2	ZINC001599883921	989524288	/nfs/dbraw/zinc/52/42/88/989524288.db2.gz	CJCGVGZALKSMLN-BVIHXZOGSA-N	-1	0	291.351	0.401	20	30		CCEDRM
CCn1ncc(Cl)c1C(=O)N(CC#N)CC(=O)[O-]	ZINC001597957946	989974923	/nfs/dbraw/zinc/97/49/23/989974923.db2.gz	GLFFAHWQTANOGR-UHFFFAOYSA-N	-1	0	270.676	0.607	20	30		CCEDRM
CC(C)(CC#N)CNS(=O)(=O)CC(C)(C)C(=O)[O-]	ZINC001590615260	990288459	/nfs/dbraw/zinc/28/84/59/990288459.db2.gz	PPZBFXXWXBCYNG-UHFFFAOYSA-N	-1	0	276.358	0.956	20	30		CCEDRM
CC(C)(CS(=O)(=O)N1CC(CC#N)C1)C(=O)[O-]	ZINC001590789075	990611178	/nfs/dbraw/zinc/61/11/78/990611178.db2.gz	MYJODSYCVOBIFT-UHFFFAOYSA-N	-1	0	260.315	0.272	20	30		CCEDRM
CC(C)[C@@H](C#N)OC(=O)Cn1cccc(C(=O)[O-])c1=O	ZINC001590953355	991019236	/nfs/dbraw/zinc/01/92/36/991019236.db2.gz	OYDJXWXQJLGKQG-SNVBAGLBSA-N	-1	0	278.264	0.638	20	30		CCEDRM
CN(CC(C)(C)C#N)C(=O)c1cnc(C(=O)[O-])cn1	ZINC001598420362	991757337	/nfs/dbraw/zinc/75/73/37/991757337.db2.gz	XAWGUSYENVPNOK-UHFFFAOYSA-N	-1	0	262.269	0.797	20	30		CCEDRM
CN(CCN(C)C(=O)[C@@H]1C[C@@H]1C(=O)[O-])C(=O)C#CC1CC1	ZINC001598486593	992214370	/nfs/dbraw/zinc/21/43/70/992214370.db2.gz	RSGKRVOIGXPCJQ-NEPJUHHUSA-N	-1	0	292.335	0.037	20	30		CCEDRM
CN1C(=O)CCC[C@H]1C(=O)N1CCC(C#N)(C(=O)[O-])CC1	ZINC001598547121	992959432	/nfs/dbraw/zinc/95/94/32/992959432.db2.gz	GQGLOCGQCBQKQV-JTQLQIEISA-N	-1	0	293.323	0.214	20	30		CCEDRM
CNC(=O)CC(=O)O[C@@H](C(=O)[O-])c1cccc(C#N)c1	ZINC001598640030	994304259	/nfs/dbraw/zinc/30/42/59/994304259.db2.gz	REORLOCLOPJDHH-GFCCVEGCSA-N	-1	0	276.248	0.363	20	30		CCEDRM
COC(=O)[C@H]1CCN(C(=O)CCCC#N)[C@@H](C(=O)[O-])C1	ZINC001598793430	996093023	/nfs/dbraw/zinc/09/30/23/996093023.db2.gz	PXQMCVCZIPJCEV-VHSXEESVSA-N	-1	0	282.296	0.545	20	30		CCEDRM
COC(=O)[C@H]1CN(C(=O)NCC(C)(C)C#N)C[C@@H]1C(=O)[O-]	ZINC001598812226	996241603	/nfs/dbraw/zinc/24/16/03/996241603.db2.gz	ZPATUFMYAKSXFD-IUCAKERBSA-N	-1	0	297.311	0.051	20	30		CCEDRM
C[C@]1(C#N)CCN(S(=O)(=O)CC2(C(=O)[O-])CC2)C1	ZINC001593742512	996360508	/nfs/dbraw/zinc/36/05/08/996360508.db2.gz	AHGHBQUECRIQBS-SNVBAGLBSA-N	-1	0	272.326	0.417	20	30		CCEDRM
C[C@@]1(C#N)CN(Cc2ncc(C(=O)[O-])s2)CCO1	ZINC001593742672	996361733	/nfs/dbraw/zinc/36/17/33/996361733.db2.gz	CFYLGKGHVYXABF-LLVKDONJSA-N	-1	0	267.310	0.956	20	30		CCEDRM
COC(=O)[C@H]1CN(Cc2ccncc2C#N)C[C@H]1C(=O)[O-]	ZINC001598826492	996388802	/nfs/dbraw/zinc/38/88/02/996388802.db2.gz	HZOHMXNNVRWXOS-NEPJUHHUSA-N	-1	0	289.291	0.259	20	30		CCEDRM
CC1(C(=O)[O-])CN(Cc2cnc3c(C#N)cnn3c2)C1	ZINC001593807950	996540049	/nfs/dbraw/zinc/54/00/49/996540049.db2.gz	INTVOSZSHJBLTM-UHFFFAOYSA-N	-1	0	271.280	0.507	20	30		CCEDRM
COC(=O)CN(CC#N)C(=O)c1cc(F)cc(C(=O)[O-])c1	ZINC001598861333	996677281	/nfs/dbraw/zinc/67/72/81/996677281.db2.gz	UWKZWKFGOYPSQX-UHFFFAOYSA-N	-1	0	294.238	0.663	20	30		CCEDRM
COC(=O)CN(CC(=O)[O-])C(=O)c1csc(C#N)c1	ZINC001598861486	996678402	/nfs/dbraw/zinc/67/84/02/996678402.db2.gz	CFRXFYHENBKPOR-UHFFFAOYSA-N	-1	0	282.277	0.320	20	30		CCEDRM
CO[C@@]1(C(=O)[O-])CCN(C(=O)c2ccc(C#N)n2C)C1	ZINC001599073784	996822043	/nfs/dbraw/zinc/82/20/43/996822043.db2.gz	QFSUDNKJWQTCTC-ZDUSSCGKSA-N	-1	0	277.280	0.212	20	30		CCEDRM
COC[C@@H](NC(=O)c1ccsc1C#N)C(=O)[O-]	ZINC001599175993	996844007	/nfs/dbraw/zinc/84/40/07/996844007.db2.gz	SWSJXZRBNPILKD-SSDOTTSWSA-N	-1	0	254.267	0.449	20	30		CCEDRM
COc1cc(/C=C/C(=O)c2cn(CC(=O)[O-])nn2)sn1	ZINC001599399348	997186483	/nfs/dbraw/zinc/18/64/83/997186483.db2.gz	GLPDETVXPFIXIM-NSCUHMNNSA-N	-1	0	294.292	0.724	20	30		CCEDRM
COC(=O)c1cc(C)c(C(=O)N(CC#N)CC(=O)[O-])o1	ZINC001598928399	997695526	/nfs/dbraw/zinc/69/55/26/997695526.db2.gz	ZYLWPHILTKZUJF-UHFFFAOYSA-N	-1	0	280.236	0.425	20	30		CCEDRM
CO[C@H]1CCN(C(=O)c2ccc(C#N)[nH]2)[C@@H](C(=O)[O-])C1	ZINC001599119240	997708776	/nfs/dbraw/zinc/70/87/76/997708776.db2.gz	BEVYZQLTSLWLHW-GXSJLCMTSA-N	-1	0	277.280	0.591	20	30		CCEDRM
COCCCNC(=S)NN=Cc1ccc(C(=O)[O-])o1	ZINC001599227197	997781056	/nfs/dbraw/zinc/78/10/56/997781056.db2.gz	OWZZIWDPBPHWFJ-UHFFFAOYSA-N	-1	0	285.325	0.812	20	30		CCEDRM
COCCCNC(=S)NN=CCC(C)(C)C(=O)[O-]	ZINC001599227264	997782730	/nfs/dbraw/zinc/78/27/30/997782730.db2.gz	TTYYADASALNUKH-UHFFFAOYSA-N	-1	0	275.374	0.974	20	30		CCEDRM
CC1=C(C(=O)N(CC#N)CCC(=O)[O-])CCCO1	ZINC001594090733	998039905	/nfs/dbraw/zinc/03/99/05/998039905.db2.gz	RIGOQLJZXPYXLO-UHFFFAOYSA-N	-1	0	252.270	0.898	20	30		CCEDRM
COCC#CC(=O)N[C@](C)(CC(=O)[O-])c1ccccn1	ZINC001599139353	998099902	/nfs/dbraw/zinc/09/99/02/998099902.db2.gz	VKYXKNSEYHURFO-CQSZACIVSA-N	-1	0	276.292	0.538	20	30		CCEDRM
CC1=NO[C@H](CNC(=O)N2CCC(C#N)(C(=O)[O-])CC2)C1	ZINC001594119691	998263734	/nfs/dbraw/zinc/26/37/34/998263734.db2.gz	XPRHUVCXLLCMHB-JTQLQIEISA-N	-1	0	294.311	0.551	20	30		CCEDRM
COC[C@@](C)(CC(=O)[O-])NS(=O)(=O)CC(C)(C)C#N	ZINC001599150501	998289579	/nfs/dbraw/zinc/28/95/79/998289579.db2.gz	PBSMGZAIMGGOHS-LLVKDONJSA-N	-1	0	292.357	0.335	20	30		CCEDRM
COC[C@@H](NC(=O)CNc1ccc(C#N)cc1)C(=O)[O-]	ZINC001599168477	998576898	/nfs/dbraw/zinc/57/68/98/998576898.db2.gz	COEDXSSROGSQPP-LLVKDONJSA-N	-1	0	277.280	0.186	20	30		CCEDRM
C[C@H]1[C@H](C(=O)[O-])CCN1Cn1nc(CC#N)n(C)c1=S	ZINC001594168704	998651267	/nfs/dbraw/zinc/65/12/67/998651267.db2.gz	XKAWCENJTDMKKO-DTWKUNHWSA-N	-1	0	295.368	0.770	20	30		CCEDRM
C[C@@H]1[C@@H](C(=O)[O-])CCN1S(=O)(=O)c1ccc(C#N)cn1	ZINC001594170124	998653641	/nfs/dbraw/zinc/65/36/41/998653641.db2.gz	BHUDGDGPOGHJOE-SCZZXKLOSA-N	-1	0	295.320	0.437	20	30		CCEDRM
COC(=O)c1nccc(N2CCC(C#N)(C(=O)[O-])CC2)n1	ZINC001599016185	998940661	/nfs/dbraw/zinc/94/06/61/998940661.db2.gz	HSQYYXJDOXQWLS-UHFFFAOYSA-N	-1	0	290.279	0.458	20	30		CCEDRM
CO[C@@]1(C(=O)N(CC#N)CCC(=O)[O-])CCSC1	ZINC001599063118	999280097	/nfs/dbraw/zinc/28/00/97/999280097.db2.gz	ZTINMYYCSAJNHL-NSHDSACASA-N	-1	0	272.326	0.335	20	30		CCEDRM
C[C@H]1CCc2[nH]nc(C(=O)N(CC#N)CCC(=O)[O-])c2C1	ZINC001594446108	999639221	/nfs/dbraw/zinc/63/92/21/999639221.db2.gz	XKKMGJILGLKWBT-VIFPVBQESA-N	-1	0	290.323	0.975	20	30		CCEDRM
Cc1ccc(S(=O)(=O)[N-]c2nn(C)cc2C#N)cn1	ZINC000337758510	214249485	/nfs/dbraw/zinc/24/94/85/214249485.db2.gz	IXBROLJPSHOZFH-UHFFFAOYSA-N	-1	0	277.309	0.796	20	30		CCEDRM
N#Cc1cccc(S(=O)(=O)N[C@@H]2C=C[C@@H](C(=O)[O-])C2)c1	ZINC000092181574	290647212	/nfs/dbraw/zinc/64/72/12/290647212.db2.gz	USLJRUYAAKLFFE-GHMZBOCLSA-N	-1	0	292.316	0.866	20	30		CCEDRM
C=CCCNC(=O)N1C[C@@H](C(=O)OC)CC[C@H]1C(=O)[O-]	ZINC000600944549	362095499	/nfs/dbraw/zinc/09/54/99/362095499.db2.gz	UPZCMIURHCBEAW-UWVGGRQHSA-N	-1	0	284.312	0.610	20	30		CCEDRM
C=C(C)C[C@@H](NC(=O)Cn1cc([N+](=O)[O-])nc1C)C(=O)[O-]	ZINC000600874332	362084221	/nfs/dbraw/zinc/08/42/21/362084221.db2.gz	OXBAOVUERNJWLJ-SECBINFHSA-N	-1	0	296.283	0.635	20	30		CCEDRM
C[C@](O)(CNC(=O)Nc1ccc(F)cc1C#N)C(=O)[O-]	ZINC000126731281	187259044	/nfs/dbraw/zinc/25/90/44/187259044.db2.gz	HBOYPXUCQKAAQP-LBPRGKRZSA-N	-1	0	281.243	0.654	20	30		CCEDRM
COc1ccnc(C(=O)Nc2nc(C#N)c(C#N)[n-]2)c1	ZINC000116442267	349870059	/nfs/dbraw/zinc/87/00/59/349870059.db2.gz	DYEMKAFSFFCASN-UHFFFAOYSA-N	-1	0	268.236	0.809	20	30		CCEDRM
C=C[C@H](CCC(=O)[O-])NS(=O)(=O)c1c[nH]c(C)n1	ZINC000573540652	334945362	/nfs/dbraw/zinc/94/53/62/334945362.db2.gz	SRORCWOTUHUREH-MRVPVSSYSA-N	-1	0	273.314	0.416	20	30		CCEDRM
N#Cc1nc(NC(=O)CC2CCOCC2)[n-]c1C#N	ZINC000117412269	349885585	/nfs/dbraw/zinc/88/55/85/349885585.db2.gz	FAGCAKCJINCMBM-UHFFFAOYSA-N	-1	0	259.269	0.908	20	30		CCEDRM
N#CC1(CNS(=O)(=O)c2ncc[n-]2)CCCC1	ZINC000601453106	362277650	/nfs/dbraw/zinc/27/76/50/362277650.db2.gz	FGLIWIPTQAIZIK-UHFFFAOYSA-N	-1	0	254.315	0.772	20	30		CCEDRM
Cn1ncc2c1C[C@@H](C(=O)N=c1[nH][n-]cc1C#N)CC2	ZINC000601639299	362335847	/nfs/dbraw/zinc/33/58/47/362335847.db2.gz	NLENMYHRQOKUBV-QMMMGPOBSA-N	-1	0	270.296	0.180	20	30		CCEDRM
N#Cc1nc(NCCOCC(=O)[O-])sc1Cl	ZINC000602010778	362456173	/nfs/dbraw/zinc/45/61/73/362456173.db2.gz	LANLATBTHXKESB-UHFFFAOYSA-N	-1	0	261.690	0.603	20	30		CCEDRM
N#Cc1cn(CCC(=O)N2C3CCC2CC3)c(=O)[n-]c1=O	ZINC000602044909	362466772	/nfs/dbraw/zinc/46/67/72/362466772.db2.gz	QPMPNZFKRGVJHD-UHFFFAOYSA-N	-1	0	288.307	0.364	20	30		CCEDRM
C[C@H](C1CC1)N(C)C(=O)Cn1cc(C#N)c(=O)[n-]c1=O	ZINC000602044161	362466926	/nfs/dbraw/zinc/46/69/26/362466926.db2.gz	BLKRADFCTNANMI-MRVPVSSYSA-N	-1	0	276.296	0.077	20	30		CCEDRM
CC[C@@H](C)CN(CC)C(=O)Cn1cc(C#N)c(=O)[n-]c1=O	ZINC000602114626	362497268	/nfs/dbraw/zinc/49/72/68/362497268.db2.gz	DQUWLCDOMASOPG-SNVBAGLBSA-N	-1	0	292.339	0.715	20	30		CCEDRM
N#Cc1cn(CCC(=O)N2CC[C@@H]3C[C@@H]3C2)c(=O)[n-]c1=O	ZINC000602186433	362547760	/nfs/dbraw/zinc/54/77/60/362547760.db2.gz	GIPZUOUZCYXGQU-NXEZZACHSA-N	-1	0	288.307	0.079	20	30		CCEDRM
CCC(CC)N(CC)C(=O)Cn1cc(C#N)c(=O)[n-]c1=O	ZINC000602150528	362527370	/nfs/dbraw/zinc/52/73/70/362527370.db2.gz	BYKSOAXWFZTFAO-UHFFFAOYSA-N	-1	0	292.339	0.858	20	30		CCEDRM
C=CCCSCCNC(=O)CCCc1nnn[n-]1	ZINC000602180360	362545672	/nfs/dbraw/zinc/54/56/72/362545672.db2.gz	WUNZOXHFDNQCBU-UHFFFAOYSA-N	-1	0	269.374	0.948	20	30		CCEDRM
CCc1cc(C(=O)N=c2[n-]n(C)c(C)c2C#N)n(C)n1	ZINC000602346878	362593734	/nfs/dbraw/zinc/59/37/34/362593734.db2.gz	BQSCIXRKVSWUPA-UHFFFAOYSA-N	-1	0	272.312	0.570	20	30		CCEDRM
C[C@@]1(C(=O)N=c2[nH][n-]c(C3CC3)c2C#N)CCOC1	ZINC000408173061	137846184	/nfs/dbraw/zinc/84/61/84/137846184.db2.gz	FCKZSYXXGIGNOA-CYBMUJFWSA-N	-1	0	260.297	0.946	20	30		CCEDRM
CC1(C)CCCN(C(=O)c2n[nH]c(=O)[n-]c2=O)[C@H]1C#N	ZINC000618037492	365874272	/nfs/dbraw/zinc/87/42/72/365874272.db2.gz	KLIYAPJBHYSFOE-ZETCQYMHSA-N	-1	0	277.284	0.437	20	30		CCEDRM
Cc1ncc(S(=O)(=O)N(C)[C@@H](C)C(=O)[O-])cc1C#N	ZINC000261595174	137011154	/nfs/dbraw/zinc/01/11/54/137011154.db2.gz	NYKJFQPZKJAIPB-QMMMGPOBSA-N	-1	0	283.309	0.355	20	30		CCEDRM
Cc1nsc(NC(=O)NCCC(=O)[O-])c1C#N	ZINC000262997350	137056824	/nfs/dbraw/zinc/05/68/24/137056824.db2.gz	FNPCWQJSRKHHEL-UHFFFAOYSA-N	-1	0	254.271	0.919	20	30		CCEDRM
CC[C@H](O)CNC(=O)c1cc(C#N)c(SC)[n-]c1=O	ZINC000344383182	137191761	/nfs/dbraw/zinc/19/17/61/137191761.db2.gz	OYPSTUBCJCAJJE-QMMMGPOBSA-N	-1	0	281.337	0.881	20	30		CCEDRM
N#Cc1c[nH]nc1[N-]S(=O)(=O)c1cnc2n1CCC2	ZINC000328608092	201961481	/nfs/dbraw/zinc/96/14/81/201961481.db2.gz	LUHAJRMDEFDDMV-UHFFFAOYSA-N	-1	0	278.297	0.225	20	30		CCEDRM
CN(CCC(=O)[O-])S(=O)(=O)Cc1ccc(C#N)cc1	ZINC000037932467	348220066	/nfs/dbraw/zinc/22/00/66/348220066.db2.gz	QSLUVKZMVVCAOV-UHFFFAOYSA-N	-1	0	282.321	0.795	20	30		CCEDRM
CCN(CC(=O)[O-])C(=O)COc1ccc(C#N)cc1	ZINC000038016385	348224333	/nfs/dbraw/zinc/22/43/33/348224333.db2.gz	FPMJCJBPYPJKLD-UHFFFAOYSA-N	-1	0	262.265	0.870	20	30		CCEDRM
Cn1cc(C#N)c(=NC(=O)N2CCO[C@@H](C(F)F)CC2)[n-]1	ZINC000602881963	362861863	/nfs/dbraw/zinc/86/18/63/362861863.db2.gz	MTBCJWFZEMVJGO-SECBINFHSA-N	-1	0	299.281	0.602	20	30		CCEDRM
COC1CC(CCNC(=O)N=c2[n-]n(C)cc2C#N)C1	ZINC000602889710	362867140	/nfs/dbraw/zinc/86/71/40/362867140.db2.gz	ZTAUDFZUHGWLDT-UHFFFAOYSA-N	-1	0	277.328	0.650	20	30		CCEDRM
COC[C@@]1(C)CCN(C(=O)N=c2[n-]n(C)cc2C#N)C1	ZINC000602879888	362860677	/nfs/dbraw/zinc/86/06/77/362860677.db2.gz	HBEMCOKYRRHSNI-ZDUSSCGKSA-N	-1	0	277.328	0.604	20	30		CCEDRM
COC1CN(C(=O)c2cc(C#N)c(SC)[n-]c2=O)C1	ZINC000345244028	137240997	/nfs/dbraw/zinc/24/09/97/137240997.db2.gz	DYJKEXPQRFXWFP-UHFFFAOYSA-N	-1	0	279.321	0.852	20	30		CCEDRM
CCc1cccnc1C(=O)N=c1[n-]n(C)cc1C#N	ZINC000346703923	137300808	/nfs/dbraw/zinc/30/08/08/137300808.db2.gz	AHROANDXIQQMIB-UHFFFAOYSA-N	-1	0	255.281	0.923	20	30		CCEDRM
N#Cc1nc(NC(=O)[C@H]2COc3ccccc3O2)[n-]c1C#N	ZINC000045580592	348338668	/nfs/dbraw/zinc/33/86/68/348338668.db2.gz	XZACIMFDAGQJER-GFCCVEGCSA-N	-1	0	295.258	0.932	20	30		CCEDRM
Cc1c(C(=O)N=c2[n-]n(C)cc2C#N)sc2nccn12	ZINC000349360485	137392584	/nfs/dbraw/zinc/39/25/84/137392584.db2.gz	XJAPLMQNVNPQLN-UHFFFAOYSA-N	-1	0	286.320	0.984	20	30		CCEDRM
C[C@@H](C(=O)[O-])N(C)S(=O)(=O)c1cccc(C#N)c1	ZINC000054053335	348539360	/nfs/dbraw/zinc/53/93/60/348539360.db2.gz	IMUPSYVIMYYORJ-QMMMGPOBSA-N	-1	0	268.294	0.652	20	30		CCEDRM
N#Cc1ccc(CS(=O)(=O)N[C@H](C(=O)[O-])C2CC2)cc1	ZINC000054504715	348558416	/nfs/dbraw/zinc/55/84/16/348558416.db2.gz	PFDCPKAOVCXLDV-LBPRGKRZSA-N	-1	0	294.332	0.841	20	30		CCEDRM
Cc1cnn(C)c1S(=O)(=O)[N-]c1nn(C)cc1C#N	ZINC000350127894	137412898	/nfs/dbraw/zinc/41/28/98/137412898.db2.gz	SJXUFJUFMZTDTJ-UHFFFAOYSA-N	-1	0	280.313	0.135	20	30		CCEDRM
CCC[C@H](NS(=O)(=O)c1ccc(C#N)nc1)C(=O)[O-]	ZINC000132366410	350304886	/nfs/dbraw/zinc/30/48/86/350304886.db2.gz	JAHPXGXSSBAUKT-JTQLQIEISA-N	-1	0	283.309	0.485	20	30		CCEDRM
CCN(CC)S(=O)(=O)[N-]c1nn(C)cc1C#N	ZINC000134979431	350381352	/nfs/dbraw/zinc/38/13/52/350381352.db2.gz	JBAZSECURJKYHN-UHFFFAOYSA-N	-1	0	257.319	0.290	20	30		CCEDRM
N#Cc1ccc(S(=O)(=O)N2CCC[C@@H]2C(=O)[O-])s1	ZINC000230322599	352111416	/nfs/dbraw/zinc/11/14/16/352111416.db2.gz	OMFQKLSTDLTTLU-MRVPVSSYSA-N	-1	0	286.334	0.857	20	30		CCEDRM
C[C@@H](CNS(=O)(=O)c1ccc(C#N)s1)C(=O)[O-]	ZINC000230324469	352112112	/nfs/dbraw/zinc/11/21/12/352112112.db2.gz	GUHDNTBPGFCTNQ-LURJTMIESA-N	-1	0	274.323	0.619	20	30		CCEDRM
Cc1cc(S(=O)(=O)N(C)CC(=O)[O-])ccc1C#N	ZINC000234279235	352156103	/nfs/dbraw/zinc/15/61/03/352156103.db2.gz	RXJOHBWLECQNSK-UHFFFAOYSA-N	-1	0	268.294	0.572	20	30		CCEDRM
C[C@@H](CC(=O)[O-])NS(=O)(=O)c1cccnc1C#N	ZINC000235101707	352180240	/nfs/dbraw/zinc/18/02/40/352180240.db2.gz	AXLOJCGWMJJNAJ-ZETCQYMHSA-N	-1	0	269.282	0.095	20	30		CCEDRM
C[C@@H](CNc1ncc(C#N)cc1[N+](=O)[O-])C(=O)[O-]	ZINC000235138147	352180438	/nfs/dbraw/zinc/18/04/38/352180438.db2.gz	VAFWQDHTSAWUNR-LURJTMIESA-N	-1	0	250.214	0.994	20	30		CCEDRM
Cn1nccc1CNS(=O)(=O)c1cccnc1C#N	ZINC000236087587	352191115	/nfs/dbraw/zinc/19/11/15/352191115.db2.gz	ZDVQARAOEGOXIZ-UHFFFAOYSA-N	-1	0	277.309	0.165	20	30		CCEDRM
COCC1(S(=O)(=O)[N-]c2nn(C)cc2C#N)CC1	ZINC000603419261	363123257	/nfs/dbraw/zinc/12/32/57/363123257.db2.gz	SBPBZZQBIOQJIK-UHFFFAOYSA-N	-1	0	270.314	0.212	20	30		CCEDRM
CC#CC[C@@H](NS(=O)(=O)c1c(C)noc1C)C(=O)[O-]	ZINC000274919578	353172922	/nfs/dbraw/zinc/17/29/22/353172922.db2.gz	ANIKVCXPTVEJJE-SECBINFHSA-N	-1	0	286.309	0.436	20	30		CCEDRM
C=CCCS(=O)(=O)NCc1nc(C(=O)[O-])cs1	ZINC000274971716	353176479	/nfs/dbraw/zinc/17/64/79/353176479.db2.gz	KNVZSKZUALKMJT-UHFFFAOYSA-N	-1	0	276.339	0.837	20	30		CCEDRM
CC#CC[C@@H](NS(=O)(=O)C[C@H](C)CC)C(=O)[O-]	ZINC000274980449	353176943	/nfs/dbraw/zinc/17/69/43/353176943.db2.gz	JPBHOMJYXXVVBQ-NXEZZACHSA-N	-1	0	261.343	0.819	20	30		CCEDRM
CC#CC[C@H](NS(=O)(=O)N(C)CCC)C(=O)[O-]	ZINC000275003117	353178908	/nfs/dbraw/zinc/17/89/08/353178908.db2.gz	MCDCCJKMOSDGEQ-VIFPVBQESA-N	-1	0	262.331	0.029	20	30		CCEDRM
COC(=O)[C@H]1CC[C@H]1C(=O)Nc1nc(C#N)c(C#N)[n-]1	ZINC000287746900	353665107	/nfs/dbraw/zinc/66/51/07/353665107.db2.gz	WUUBWPICMBKVDO-RQJHMYQMSA-N	-1	0	273.252	0.291	20	30		CCEDRM
Cn1cc(C#N)c(=NC(=O)NC[C@@H]2CCSC2)[n-]1	ZINC000619204006	366216699	/nfs/dbraw/zinc/21/66/99/366216699.db2.gz	UCJYEUBDPIHJNQ-QMMMGPOBSA-N	-1	0	265.342	0.588	20	30		CCEDRM
N#Cc1cc(N2CCC[C@H](c3n[nH]c(=O)[n-]3)C2)ncn1	ZINC000557688887	291042721	/nfs/dbraw/zinc/04/27/21/291042721.db2.gz	YVCPVPYSOZLDRT-QMMMGPOBSA-N	-1	0	271.284	0.556	20	30		CCEDRM
COC(=O)c1coc(C(=O)N=c2[n-]n(C)cc2C#N)c1	ZINC000352910668	356109663	/nfs/dbraw/zinc/10/96/63/356109663.db2.gz	GRSYMOAQZBOTKW-UHFFFAOYSA-N	-1	0	274.236	0.346	20	30		CCEDRM
CNC(=O)Cn1nc(N=c2s[n-]c(C)c2C#N)cc1C	ZINC000361043155	138020045	/nfs/dbraw/zinc/02/00/45/138020045.db2.gz	OAWTXMVLBJYJAF-UHFFFAOYSA-N	-1	0	290.352	0.740	20	30		CCEDRM
N#Cc1ccc(Cl)c(C(=O)NCCc2n[n-]c(=N)o2)c1	ZINC000355026576	356553114	/nfs/dbraw/zinc/55/31/14/356553114.db2.gz	XQRTVSYBLUQXBO-UHFFFAOYSA-N	-1	0	291.698	0.980	20	30		CCEDRM
COC(=O)c1ccc(=NC(=O)C2(C#N)CCCC2)[n-]n1	ZINC000619605682	366296139	/nfs/dbraw/zinc/29/61/39/366296139.db2.gz	POZASCWXTXOQSR-UHFFFAOYSA-N	-1	0	274.280	0.708	20	30		CCEDRM
Cc1nc(=NC(=O)c2ccc(C#N)cc2C)[n-]n1C	ZINC000355805486	356651559	/nfs/dbraw/zinc/65/15/59/356651559.db2.gz	ZVDCSBQGJIAVEL-UHFFFAOYSA-N	-1	0	255.281	0.978	20	30		CCEDRM
CCC(=O)N[C@H](C)C(=O)N=c1[n-]n(C(C)(C)C)cc1C#N	ZINC000619749505	366348277	/nfs/dbraw/zinc/34/82/77/366348277.db2.gz	VVDCGOSPCZUUIE-SECBINFHSA-N	-1	0	291.355	0.785	20	30		CCEDRM
Cc1cc(S(=O)(=O)[N-]c2cn(C)nn2)ccc1C#N	ZINC000359478168	356829520	/nfs/dbraw/zinc/82/95/20/356829520.db2.gz	YSEVCTAZIRFOCM-UHFFFAOYSA-N	-1	0	277.309	0.796	20	30		CCEDRM
C[C@@H](C(=O)NCc1n[nH]c(=O)[n-]1)c1cccc(C#N)c1	ZINC000360319134	356990954	/nfs/dbraw/zinc/99/09/54/356990954.db2.gz	WWPWSVFQJBWWSK-MRVPVSSYSA-N	-1	0	271.280	0.802	20	30		CCEDRM
CO[C@H](CNC(=O)N=c1[n-]n(C)cc1C#N)C(C)(C)C	ZINC000610563004	363577563	/nfs/dbraw/zinc/57/75/63/363577563.db2.gz	OKCKSKVRYHZUEO-SNVBAGLBSA-N	-1	0	279.344	0.896	20	30		CCEDRM
C[C@H](Cn1ccnc1)NC(=O)N=c1[n-]n(C)cc1C#N	ZINC000610528027	363572847	/nfs/dbraw/zinc/57/28/47/363572847.db2.gz	HSFAFLQPPSNYLB-SECBINFHSA-N	-1	0	273.300	0.120	20	30		CCEDRM
Cn1cc(C#N)c(=NC(=O)N[C@@H]2c3ccccc3C[C@@H]2O)[n-]1	ZINC000610527738	363572963	/nfs/dbraw/zinc/57/29/63/363572963.db2.gz	CLVKQFKJWWJLKO-QWHCGFSZSA-N	-1	0	297.318	0.493	20	30		CCEDRM
Cc1ccc(CNC(=O)N=c2[n-]n(C)cc2C#N)cn1	ZINC000610562192	363575814	/nfs/dbraw/zinc/57/58/14/363575814.db2.gz	KIXNTTNYONWJKP-UHFFFAOYSA-N	-1	0	270.296	0.739	20	30		CCEDRM
Cn1cc(C#N)c(=NC(=O)NCCc2ccccc2O)[n-]1	ZINC000610560954	363576948	/nfs/dbraw/zinc/57/69/48/363576948.db2.gz	MSFFKOPGYDDZNU-UHFFFAOYSA-N	-1	0	285.307	0.783	20	30		CCEDRM
Cn1cc(C#N)c(=NC(=O)N(C[C@@H]2CCOC2)C2CC2)[n-]1	ZINC000610565031	363578776	/nfs/dbraw/zinc/57/87/76/363578776.db2.gz	YOTXKPDBNWGCTB-JTQLQIEISA-N	-1	0	289.339	0.746	20	30		CCEDRM
C#Cc1ccccc1CC(=O)N1CCO[C@H](c2nnn[n-]2)C1	ZINC000365987170	357182070	/nfs/dbraw/zinc/18/20/70/357182070.db2.gz	RKKODEGCLOCZKK-ZDUSSCGKSA-N	-1	0	297.318	0.324	20	30		CCEDRM
COC(C)(C)CN(C)C(=O)N=c1[n-]n(C)cc1C#N	ZINC000610718333	363604104	/nfs/dbraw/zinc/60/41/04/363604104.db2.gz	VPIPDDYUKILCPI-UHFFFAOYSA-N	-1	0	265.317	0.602	20	30		CCEDRM
C=C(C)[C@@H]1OCC[C@H]1CNC(=O)NC[C@H](C)C(=O)[O-]	ZINC000655875092	412673058	/nfs/dbraw/zinc/67/30/58/412673058.db2.gz	FDMWWURJKQESTR-DCAQKATOSA-N	-1	0	270.329	0.988	20	30		CCEDRM
CN(CCC#N)S(=O)(=O)NC1(C(=O)[O-])CCCC1	ZINC000536267767	358547186	/nfs/dbraw/zinc/54/71/86/358547186.db2.gz	DJPRGGPCIZEKEO-UHFFFAOYSA-N	-1	0	275.330	0.064	20	30		CCEDRM
CN=c1[n-]nc(CC(=O)N(CCC#N)C(C)C)s1	ZINC000544741843	358549904	/nfs/dbraw/zinc/54/99/04/358549904.db2.gz	FAKVPBSWTUXKJB-UHFFFAOYSA-N	-1	0	267.358	0.695	20	30		CCEDRM
C=CCCS(=O)(=O)N1CC(C)(C)OC[C@@H]1C(=O)[O-]	ZINC000560480818	358555268	/nfs/dbraw/zinc/55/52/68/358555268.db2.gz	OXYHKDIPGVSYBH-SECBINFHSA-N	-1	0	277.342	0.456	20	30		CCEDRM
C[C@H](CCC(=O)[O-])CNS(=O)(=O)N(C)[C@@H](C)CC#N	ZINC000563227179	358557093	/nfs/dbraw/zinc/55/70/93/358557093.db2.gz	TVEXMTXOCVCHNR-ZJUUUORDSA-N	-1	0	291.373	0.556	20	30		CCEDRM
C=CCn1cc(CNC(=O)NC[C@@H](C(=O)[O-])C(C)C)nn1	ZINC000655879530	412674661	/nfs/dbraw/zinc/67/46/61/412674661.db2.gz	ORTOJFQCDRRYBN-LLVKDONJSA-N	-1	0	295.343	0.620	20	30		CCEDRM
N#Cc1c[n-]c(=O)n(CCOCC2CCCC2)c1=O	ZINC000580310960	359081977	/nfs/dbraw/zinc/08/19/77/359081977.db2.gz	PURRAFYWYRIJCH-UHFFFAOYSA-N	-1	0	263.297	0.615	20	30		CCEDRM
N#CCc1cccc(C(=O)N=c2cc(C(N)=O)[n-][nH]2)c1	ZINC000610872417	363624561	/nfs/dbraw/zinc/62/45/61/363624561.db2.gz	VTKKOASPAWOYQM-UHFFFAOYSA-N	-1	0	269.264	0.249	20	30		CCEDRM
CCOC(=O)c1cnc(NC(=O)C2(C#N)CCOCC2)[n-]1	ZINC000585682838	359263551	/nfs/dbraw/zinc/26/35/51/359263551.db2.gz	SXDPPFXSHFBOKW-UHFFFAOYSA-N	-1	0	292.295	0.845	20	30		CCEDRM
Cn1cc(C#N)c(=NC(=O)N2CCc3c[nH]nc3C2)[n-]1	ZINC000611007709	363647922	/nfs/dbraw/zinc/64/79/22/363647922.db2.gz	FRDMGSDWWGLUAT-UHFFFAOYSA-N	-1	0	271.284	0.027	20	30		CCEDRM
N#Cc1ccc(S(=O)(=O)[N-]c2ncc(C#N)s2)o1	ZINC000588944128	359351152	/nfs/dbraw/zinc/35/11/52/359351152.db2.gz	FRCHOIKWXSFIFP-UHFFFAOYSA-N	-1	0	280.290	0.702	20	30		CCEDRM
Cn1cc(C#N)c(=NC(=O)N[C@@H]2CCOC(C)(C)C2)[n-]1	ZINC000611095601	363659669	/nfs/dbraw/zinc/65/96/69/363659669.db2.gz	UIJWNXZKUDIQEJ-SNVBAGLBSA-N	-1	0	277.328	0.793	20	30		CCEDRM
CCCc1n[n-]c(=NC(=O)N2CC(C#N)C2)s1	ZINC000590104572	359424286	/nfs/dbraw/zinc/42/42/86/359424286.db2.gz	OYMFDTHNDYJASF-UHFFFAOYSA-N	-1	0	251.315	0.900	20	30		CCEDRM
Cc1nnsc1CNC(=O)N=c1[n-]n(C)cc1C#N	ZINC000590121305	359425673	/nfs/dbraw/zinc/42/56/73/359425673.db2.gz	AUUAHABRAJPCOG-UHFFFAOYSA-N	-1	0	277.313	0.195	20	30		CCEDRM
N#Cc1cccc(C=CC(=O)NC2(c3nnn[n-]3)CC2)c1	ZINC000491995797	237046086	/nfs/dbraw/zinc/04/60/86/237046086.db2.gz	XEAWMGIDOGMPLG-SNAWJCMRSA-N	-1	0	280.291	0.890	20	30		CCEDRM
C=CCN(CC(=O)[O-])S(=O)(=O)CC[C@@H]1CCOC1	ZINC000297059709	200074100	/nfs/dbraw/zinc/07/41/00/200074100.db2.gz	WAOQLVGTAARDHS-JTQLQIEISA-N	-1	0	277.342	0.315	20	30		CCEDRM
CO[C@@H](CS(=O)(=O)[N-]c1ncc(C#N)s1)C(C)C	ZINC000592381951	359829671	/nfs/dbraw/zinc/82/96/71/359829671.db2.gz	BHNQWGJMGNPADX-VIFPVBQESA-N	-1	0	289.382	0.849	20	30		CCEDRM
C=CCCC(C)(C)NC(=O)c1cnc([O-])n(C)c1=O	ZINC000620858400	366576663	/nfs/dbraw/zinc/57/66/63/366576663.db2.gz	FYHTVWQANWFEOX-UHFFFAOYSA-N	-1	0	265.313	0.961	20	30		CCEDRM
C[C@]1(C#N)CCCN(C(=O)C(=O)NCCCC(=O)[O-])C1	ZINC000592439998	359841939	/nfs/dbraw/zinc/84/19/39/359841939.db2.gz	DQKMNWIBDBMLFJ-CYBMUJFWSA-N	-1	0	281.312	0.120	20	30		CCEDRM
N#CCCCCS(=O)(=O)N[C@H]1CC[C@@H](C(=O)[O-])C1	ZINC000592458459	359844483	/nfs/dbraw/zinc/84/44/83/359844483.db2.gz	QSKLQPQRRWMKKZ-ZJUUUORDSA-N	-1	0	274.342	0.853	20	30		CCEDRM
COC[C@H](C)[C@@H](C)C(=O)N=c1[n-]n(C)c(C)c1C#N	ZINC000592650126	359909110	/nfs/dbraw/zinc/90/91/10/359909110.db2.gz	OERNDJKFTAJMAX-DTWKUNHWSA-N	-1	0	264.329	0.879	20	30		CCEDRM
CCCn1cc(C(=O)N=c2[n-]n(C)c(C)c2C#N)cn1	ZINC000592654460	359910381	/nfs/dbraw/zinc/91/03/81/359910381.db2.gz	RDKUQRJKOLBZSC-UHFFFAOYSA-N	-1	0	272.312	0.881	20	30		CCEDRM
Cc1c(C#N)c(=NC(=O)[C@H]2CCSC2)[n-]n1C	ZINC000592654902	359910568	/nfs/dbraw/zinc/91/05/68/359910568.db2.gz	TYIVLRRFUZTSJK-QMMMGPOBSA-N	-1	0	250.327	0.714	20	30		CCEDRM
CN(CCc1cnccn1)C(=O)N=c1[n-]n(C)cc1C#N	ZINC000611303282	363705262	/nfs/dbraw/zinc/70/52/62/363705262.db2.gz	GLQKOHVMBJPDRH-UHFFFAOYSA-N	-1	0	285.311	0.210	20	30		CCEDRM
N#CC[C@]1(O)CCN(C(=O)c2csc(NC3CC3)n2)C1	ZINC000592848423	359953534	/nfs/dbraw/zinc/95/35/34/359953534.db2.gz	WPLCDZMLFINQQV-ZDUSSCGKSA-N	-1	0	292.364	0.630	20	30		CCEDRM
N#CC[C@]1(O)CCN(C(=O)c2c(O)cccc2O)C1	ZINC000592948837	359992978	/nfs/dbraw/zinc/99/29/78/359992978.db2.gz	CLNHYFUYQKAKRM-ZDUSSCGKSA-N	-1	0	262.265	0.588	20	30		CCEDRM
C=CCOC[C@@H](NC(=O)NCC[C@@H]1CC1(F)F)C(=O)[O-]	ZINC000621248845	366679808	/nfs/dbraw/zinc/67/98/08/366679808.db2.gz	ACUPJQNAOSAWDV-RKDXNWHRSA-N	-1	0	292.282	0.987	20	30		CCEDRM
CC(C)[C@H](CNS(=O)(=O)CC1(C#N)CCC1)C(=O)[O-]	ZINC000593945876	360221210	/nfs/dbraw/zinc/22/12/10/360221210.db2.gz	ZZSUDRDWGFDBCK-JTQLQIEISA-N	-1	0	288.369	0.956	20	30		CCEDRM
N#Cc1ccc(S(=O)(=O)N[C@@H](CCF)C(=O)[O-])s1	ZINC000594574046	360333231	/nfs/dbraw/zinc/33/32/31/360333231.db2.gz	XZNOYFZYADWNIX-ZETCQYMHSA-N	-1	0	292.313	0.711	20	30		CCEDRM
C[C@@H](CNC(=O)C(=O)Nc1cccc(CC#N)c1)C(=O)[O-]	ZINC000594527884	360326610	/nfs/dbraw/zinc/32/66/10/360326610.db2.gz	PDLJJEMZWVHUGN-VIFPVBQESA-N	-1	0	289.291	0.528	20	30		CCEDRM
CC[C@@H](CC#N)[N-]S(=O)(=O)c1ncccc1[N+](=O)[O-]	ZINC000594768102	360379360	/nfs/dbraw/zinc/37/93/60/360379360.db2.gz	JFDZAGNBTVNRBK-QMMMGPOBSA-N	-1	0	284.297	0.960	20	30		CCEDRM
N#CCc1ccc(C(=O)N[C@H]2CCO[C@H]2C(=O)[O-])cc1	ZINC000595244104	360455325	/nfs/dbraw/zinc/45/53/25/360455325.db2.gz	HELQHHKBWJHPBK-NWDGAFQWSA-N	-1	0	274.276	0.725	20	30		CCEDRM
C=CCCSCCNC(=O)N1CCO[C@@H](C(=O)[O-])C1	ZINC000595262553	360465524	/nfs/dbraw/zinc/46/55/24/360465524.db2.gz	KCYKUUWSBYMILA-SNVBAGLBSA-N	-1	0	288.369	0.791	20	30		CCEDRM
CCN(C[C@H](C)C#N)C(=O)CN(C)Cc1n[n-]c(=O)o1	ZINC000595546861	360573659	/nfs/dbraw/zinc/57/36/59/360573659.db2.gz	JQQKWCIDQRBBTI-SECBINFHSA-N	-1	0	281.316	0.215	20	30		CCEDRM
Cc1ccc(C#N)c(N[C@@H]2C[C@@H](C(=O)[O-])C[C@@H]2O)n1	ZINC000595977782	360753520	/nfs/dbraw/zinc/75/35/20/360753520.db2.gz	IBOPLKGKBSTYOE-MXWKQRLJSA-N	-1	0	261.281	0.898	20	30		CCEDRM
Cc1cc(C#N)nc(NC[C@@H](C(=O)[O-])C2CCC2)n1	ZINC000595977973	360753526	/nfs/dbraw/zinc/75/35/26/360753526.db2.gz	QXLZTMYITHFLSN-LLVKDONJSA-N	-1	0	260.297	0.991	20	30		CCEDRM
N#CC1(CC(=O)N2CCOC[C@@H]2C(=O)[O-])CCOCC1	ZINC000595987773	360763117	/nfs/dbraw/zinc/76/31/17/360763117.db2.gz	XCLNTOROKOJZPI-SNVBAGLBSA-N	-1	0	282.296	0.009	20	30		CCEDRM
CC(C)(C)CN(CC(=O)[O-])C(=O)Cn1cnc(C#N)n1	ZINC000595998207	360770603	/nfs/dbraw/zinc/77/06/03/360770603.db2.gz	UHTOVPGXSPSKOW-UHFFFAOYSA-N	-1	0	279.300	0.109	20	30		CCEDRM
COC(=O)c1ccc(N2CCO[C@@H](C(=O)[O-])C2)c(C#N)n1	ZINC000595965625	360740643	/nfs/dbraw/zinc/74/06/43/360740643.db2.gz	HIRQTJGDHUHUEE-LLVKDONJSA-N	-1	0	291.263	0.030	20	30		CCEDRM
COc1n[n-]c(=NC(=O)N2CC[C@@](C)(C#N)C2)s1	ZINC000596869623	360970295	/nfs/dbraw/zinc/97/02/95/360970295.db2.gz	WJFULEPQLNVYDG-JTQLQIEISA-N	-1	0	267.314	0.736	20	30		CCEDRM
C=CCCNC(=O)N=c1[n-]nc(CC(=O)OCC)s1	ZINC000596806090	360960117	/nfs/dbraw/zinc/96/01/17/360960117.db2.gz	WRPKOLVDRFXJEI-UHFFFAOYSA-N	-1	0	284.341	0.763	20	30		CCEDRM
CC(C)(CNS(=O)(=O)c1ccc(C#N)nc1)CC(=O)[O-]	ZINC000275078272	192903585	/nfs/dbraw/zinc/90/35/85/192903585.db2.gz	YBODDBSJGSZIPZ-UHFFFAOYSA-N	-1	0	297.336	0.732	20	30		CCEDRM
COCCCOCCC(=O)Nc1nc(C#N)c(C#N)[n-]1	ZINC000598662671	361474617	/nfs/dbraw/zinc/47/46/17/361474617.db2.gz	TVTNCHUALOBKNV-UHFFFAOYSA-N	-1	0	277.284	0.535	20	30		CCEDRM
CO[C@H](C(=O)Nc1nc(C#N)c(C#N)[n-]1)C1CCC1	ZINC000598663785	361475225	/nfs/dbraw/zinc/47/52/25/361475225.db2.gz	REJYBUUWLGUDET-JTQLQIEISA-N	-1	0	259.269	0.907	20	30		CCEDRM
N#CC1(C(=O)N2CCSC[C@H](C(=O)[O-])C2)CCOCC1	ZINC000598659984	361475255	/nfs/dbraw/zinc/47/52/55/361475255.db2.gz	JNOUAESGGDGXNZ-SNVBAGLBSA-N	-1	0	298.364	0.583	20	30		CCEDRM
C[C@@H](C#N)NC(=O)c1ccc([N-]S(C)(=O)=O)nc1	ZINC000599188574	361605576	/nfs/dbraw/zinc/60/55/76/361605576.db2.gz	SPULSDLLYGWKCY-ZETCQYMHSA-N	-1	0	268.298	0.095	20	30		CCEDRM
Cn1cc([N+](=O)[O-])c(S(=O)(=O)[N-]CC2(CC#N)CC2)n1	ZINC000599305115	361642521	/nfs/dbraw/zinc/64/25/21/361642521.db2.gz	TUDGMJYHFZPLJL-UHFFFAOYSA-N	-1	0	299.312	0.300	20	30		CCEDRM
Cn1cc([N+](=O)[O-])c(S(=O)(=O)[N-][C@@H]2CC[C@H](C#N)C2)n1	ZINC000599331937	361653660	/nfs/dbraw/zinc/65/36/60/361653660.db2.gz	KNDZXZKZXCJWMK-JGVFFNPUSA-N	-1	0	299.312	0.299	20	30		CCEDRM
C=CCN(CC=C)C(=O)C(=O)NC[C@@H](C)C(=O)[O-]	ZINC000656004849	412729974	/nfs/dbraw/zinc/72/99/74/412729974.db2.gz	SKOWDVKZKUPFEZ-SECBINFHSA-N	-1	0	254.286	0.024	20	30		CCEDRM
Cn1cc(C#N)c(=NC(=O)N(CCO)C2CCCCC2)[n-]1	ZINC000612573522	363961634	/nfs/dbraw/zinc/96/16/34/363961634.db2.gz	JHWFUPXFVGCLJK-UHFFFAOYSA-N	-1	0	291.355	0.873	20	30		CCEDRM
Cc1cc(=NC(=O)N=c2[n-]n(C)cc2C#N)[nH]n1CCC#N	ZINC000615025401	364822379	/nfs/dbraw/zinc/82/23/79/364822379.db2.gz	CDYYBVKZBJMEJO-UHFFFAOYSA-N	-1	0	298.310	0.198	20	30		CCEDRM
CC[C@@]1(CO)CCCN1C(=O)N=c1[n-]n(C)cc1C#N	ZINC000615253028	364895757	/nfs/dbraw/zinc/89/57/57/364895757.db2.gz	BICXPYITKKDDRU-ZDUSSCGKSA-N	-1	0	277.328	0.482	20	30		CCEDRM
CCc1n[n-]c(=NC(=O)N2CC[C@@](F)(C#N)C2)s1	ZINC000615521642	364991723	/nfs/dbraw/zinc/99/17/23/364991723.db2.gz	BUXZGWNDJNDPEN-SNVBAGLBSA-N	-1	0	269.305	0.992	20	30		CCEDRM
N#C[C@]1(F)CCN(C(=O)CSc2n[nH]c(=O)[n-]2)C1	ZINC000615824662	365097275	/nfs/dbraw/zinc/09/72/75/365097275.db2.gz	BXLALKSHGVZSPT-SECBINFHSA-N	-1	0	271.277	0.067	20	30		CCEDRM
COc1n[n-]c(=NC(=O)c2ccc(C#N)cn2)s1	ZINC000616176221	365202357	/nfs/dbraw/zinc/20/23/57/365202357.db2.gz	QWKVEALVTCPGMW-UHFFFAOYSA-N	-1	0	261.266	0.488	20	30		CCEDRM
CCOc1ccc(C#N)cc1NC(=O)C(=O)[N-]OC	ZINC000275942601	193169892	/nfs/dbraw/zinc/16/98/92/193169892.db2.gz	CNADUAOUBDQBKK-UHFFFAOYSA-N	-1	0	263.253	0.573	20	30		CCEDRM
C=CC[C@@H]1CCN(C(=O)C(=O)NCC2(C(=O)[O-])CCC2)C1	ZINC000627280599	368943379	/nfs/dbraw/zinc/94/33/79/368943379.db2.gz	KWJOFAORYXBAHJ-LLVKDONJSA-N	-1	0	294.351	0.782	20	30		CCEDRM
C[C@@H](NS(=O)(=O)c1cccc([N+](=O)[O-])c1C#N)C(=O)[O-]	ZINC000340449636	296138975	/nfs/dbraw/zinc/13/89/75/296138975.db2.gz	NXZAXYWJESWJCT-ZCFIWIBFSA-N	-1	0	299.264	0.218	20	30		CCEDRM
C=CCCCS(=O)(=O)NCc1ncc(C(=O)[O-])cn1	ZINC000629314114	369629828	/nfs/dbraw/zinc/62/98/28/369629828.db2.gz	ODARGUYHNBMRAR-UHFFFAOYSA-N	-1	0	285.325	0.560	20	30		CCEDRM
C=C[C@H](CCC(=O)[O-])NS(=O)(=O)c1cnc(C)n1C	ZINC000629303175	369626211	/nfs/dbraw/zinc/62/62/11/369626211.db2.gz	HHSQHERHTVTOBN-SECBINFHSA-N	-1	0	287.341	0.426	20	30		CCEDRM
C=CCOC[C@H](NC(=O)[C@@H]1C[C@@H](C)O[C@@H]1C)C(=O)[O-]	ZINC000630186604	369995906	/nfs/dbraw/zinc/99/59/06/369995906.db2.gz	WLUSFPBMVHDHPF-DBIOUOCHSA-N	-1	0	271.313	0.572	20	30		CCEDRM
C=CCOC[C@H](NC(=O)[C@@H]1C[C@H]1C1CCOCC1)C(=O)[O-]	ZINC000630187090	369996832	/nfs/dbraw/zinc/99/68/32/369996832.db2.gz	IHINMEPYZCQDRE-XQQFMLRXSA-N	-1	0	297.351	0.821	20	30		CCEDRM
C=C(C)C[C@H](NC(=O)C1CCN(C(C)=O)CC1)C(=O)[O-]	ZINC000630317936	370045726	/nfs/dbraw/zinc/04/57/26/370045726.db2.gz	VVKPNBATVIOPFN-LBPRGKRZSA-N	-1	0	282.340	0.781	20	30		CCEDRM
C=C(C)C[C@@H](NC(=O)COc1c(C)nn(C)c1C)C(=O)[O-]	ZINC000630320258	370046006	/nfs/dbraw/zinc/04/60/06/370046006.db2.gz	RXZGVNWYHTWEQZ-LLVKDONJSA-N	-1	0	295.339	0.951	20	30		CCEDRM
C=C(C)C[C@@H](NC(=O)c1cc(C)n(C)n1)C(=O)[O-]	ZINC000630327320	370048063	/nfs/dbraw/zinc/04/80/63/370048063.db2.gz	ZDUHKENPOUSRHI-SNVBAGLBSA-N	-1	0	251.286	0.878	20	30		CCEDRM
C=CCOC[C@H](NC(=O)c1ccc(COC)o1)C(=O)[O-]	ZINC000630185392	369995093	/nfs/dbraw/zinc/99/50/93/369995093.db2.gz	BANOAXCEYAJBDK-JTQLQIEISA-N	-1	0	283.280	0.812	20	30		CCEDRM
C=C(C)C[C@H](NS(=O)(=O)C[C@H](C)COCC)C(=O)[O-]	ZINC000630438254	370115865	/nfs/dbraw/zinc/11/58/65/370115865.db2.gz	NTYOUUHBIOKSPN-MNOVXSKESA-N	-1	0	293.385	0.998	20	30		CCEDRM
C=C(C)C[C@@H](NS(=O)(=O)C[C@@H]1CCOC1)C(=O)[O-]	ZINC000630437710	370116328	/nfs/dbraw/zinc/11/63/28/370116328.db2.gz	HNWOKVJJAYMEJR-NXEZZACHSA-N	-1	0	277.342	0.362	20	30		CCEDRM
C=C(C)C[C@H](NS(=O)(=O)c1ccco1)C(=O)[O-]	ZINC000630438719	370117025	/nfs/dbraw/zinc/11/70/25/370117025.db2.gz	XJVVLKUUIXIEFM-QMMMGPOBSA-N	-1	0	259.283	0.977	20	30		CCEDRM
C=C(C)C[C@@H](NS(=O)(=O)N1CC[C@@H](C)C1)C(=O)[O-]	ZINC000630438679	370117064	/nfs/dbraw/zinc/11/70/64/370117064.db2.gz	WKUCSPSOMWRJEG-NXEZZACHSA-N	-1	0	276.358	0.582	20	30		CCEDRM
C=C(C)C[C@@H](NC(=O)NC1CCOCC1)C(=O)[O-]	ZINC000630470025	370128809	/nfs/dbraw/zinc/12/88/09/370128809.db2.gz	FWHKCTWBQZSLGC-SNVBAGLBSA-N	-1	0	256.302	0.884	20	30		CCEDRM
C=CCOCCNC(=O)N1C[C@H](OC)C[C@@]1(C)C(=O)[O-]	ZINC000630480033	370130157	/nfs/dbraw/zinc/13/01/57/370130157.db2.gz	MBLFGADDOFQTDI-MFKMUULPSA-N	-1	0	286.328	0.463	20	30		CCEDRM
C=CCOC[C@H](NC(=O)N[C@@H]1C[C@@H](C)O[C@H]1C)C(=O)[O-]	ZINC000630497209	370136612	/nfs/dbraw/zinc/13/66/12/370136612.db2.gz	IPCBHXXFYMFXTI-YTWAJWBKSA-N	-1	0	286.328	0.507	20	30		CCEDRM
C=CCCn1cc(CNC(=O)N=c2[n-]nc(C)s2)nn1	ZINC000631479261	370559558	/nfs/dbraw/zinc/55/95/58/370559558.db2.gz	QBFZRXYUMAQKFQ-UHFFFAOYSA-N	-1	0	293.356	0.758	20	30		CCEDRM
C=CCCOCCNC(=O)CCCc1nnn[n-]1	ZINC000635738447	372837498	/nfs/dbraw/zinc/83/74/98/372837498.db2.gz	SCSIRRRVFFEVQL-UHFFFAOYSA-N	-1	0	253.306	0.231	20	30		CCEDRM
C=CCCOCC(=O)N1CCC[C@H](c2n[n-]c(=N)o2)C1	ZINC000636201440	373446734	/nfs/dbraw/zinc/44/67/34/373446734.db2.gz	PQVLYNFRQZWUQA-JTQLQIEISA-N	-1	0	280.328	0.781	20	30		CCEDRM
C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)C[C@@]1(C(=O)[O-])CCOC1	ZINC000656483279	412811138	/nfs/dbraw/zinc/81/11/38/412811138.db2.gz	VGXCEZASCQIMIW-ZLDLUXBVSA-N	-1	0	297.351	0.965	20	30		CCEDRM
C=CCOCCCNC(=O)[C@@H](C)O[C@H](C)C(=O)[O-]	ZINC000656485350	412812359	/nfs/dbraw/zinc/81/23/59/412812359.db2.gz	CTOHMMWHWMTOJA-NXEZZACHSA-N	-1	0	259.302	0.574	20	30		CCEDRM
C=CCOCCCNC(=O)N[C@]1(C(=O)[O-])CCOC1	ZINC000656596132	412833419	/nfs/dbraw/zinc/83/34/19/412833419.db2.gz	ZASRKAYDUREUGO-GFCCVEGCSA-N	-1	0	272.301	0.122	20	30		CCEDRM
C=CCCC[C@@H](C)NC(=O)C(=O)N1CCO[C@@H](C(=O)[O-])C1	ZINC000643162964	377721316	/nfs/dbraw/zinc/72/13/16/377721316.db2.gz	OHHQFCUIUGFAIG-GHMZBOCLSA-N	-1	0	298.339	0.159	20	30		CCEDRM
O=C(N=c1cn[n-]s1)NCCC1(O)CCOCC1	ZINC000329228131	227364927	/nfs/dbraw/zinc/36/49/27/227364927.db2.gz	BOAIKOHCPOSABY-UHFFFAOYSA-N	-1	0	272.330	0.796	20	30		CCEDRM
CC(C)(O)CO[N-]C(=O)CNC(=O)c1ccc(C#N)cc1	ZINC000281304681	195189319	/nfs/dbraw/zinc/18/93/19/195189319.db2.gz	ZBGLSXUTJHCSCJ-UHFFFAOYSA-N	-1	0	291.307	0.107	20	30		CCEDRM
CCOC(=O)NCCC(=O)Nc1nc(C#N)c(C#N)[n-]1	ZINC000031287900	388830606	/nfs/dbraw/zinc/83/06/06/388830606.db2.gz	WIOWUOIQRXGJIO-UHFFFAOYSA-N	-1	0	276.256	0.228	20	30		CCEDRM
C[C@H](CN(C)S(=O)(=O)c1cccc(C#N)c1)C(=O)[O-]	ZINC000042703679	388867024	/nfs/dbraw/zinc/86/70/24/388867024.db2.gz	HYPOZGMIVRVVAO-SECBINFHSA-N	-1	0	282.321	0.899	20	30		CCEDRM
C#CCO[N-]C(=O)CNC(=O)c1ccccc1OCC	ZINC000291155886	388917978	/nfs/dbraw/zinc/91/79/78/388917978.db2.gz	BVMRQESVTPFCJM-UHFFFAOYSA-N	-1	0	276.292	0.496	20	30		CCEDRM
C#CCO[N-]C(=O)[C@H]1CSCN1C(=O)CCC	ZINC000291140811	388918281	/nfs/dbraw/zinc/91/82/81/388918281.db2.gz	XVRNOEXGLMRTEQ-SECBINFHSA-N	-1	0	256.327	0.369	20	30		CCEDRM
C#CCO[N-]C(=O)CN1C(=O)N[C@]2(CCCC[C@H]2C)C1=O	ZINC000291285555	388920043	/nfs/dbraw/zinc/92/00/43/388920043.db2.gz	PAKWSRMWDTZQDF-YGRLFVJLSA-N	-1	0	293.323	0.168	20	30		CCEDRM
CN(C)C(=O)CCCNC(=O)c1ccc(C#N)c(O)c1	ZINC000188365406	388926234	/nfs/dbraw/zinc/92/62/34/388926234.db2.gz	DBOPUFKUVOJJPI-UHFFFAOYSA-N	-1	0	275.308	0.862	20	30		CCEDRM
COCCN(CC[NH+](C)C)C(=O)c1ccc(C#N)c(O)c1	ZINC000188557350	388933244	/nfs/dbraw/zinc/93/32/44/388933244.db2.gz	IHTDNAXQDMFEQI-UHFFFAOYSA-N	-1	0	291.351	0.914	20	30		CCEDRM
C=CCCCS(=O)(=O)N[C@@H](CC(F)F)C(=O)[O-]	ZINC000291814856	388938421	/nfs/dbraw/zinc/93/84/21/388938421.db2.gz	DHRQKMVZAJEUFU-ZETCQYMHSA-N	-1	0	271.285	0.980	20	30		CCEDRM
C=CCN(CC(=O)[O-])S(=O)(=O)C[C@@H]1CCCO1	ZINC000092463948	389028133	/nfs/dbraw/zinc/02/81/33/389028133.db2.gz	XRBLXBOPXKVVHT-VIFPVBQESA-N	-1	0	263.315	0.068	20	30		CCEDRM
C#CCN(Cc1n[nH]c(=O)[n-]1)Cc1ccc(F)cc1	ZINC000092618176	389031068	/nfs/dbraw/zinc/03/10/68/389031068.db2.gz	RXGIWGJGKLKICN-UHFFFAOYSA-N	-1	0	260.272	0.873	20	30		CCEDRM
C=CCN1CC[C@@H](N(C)C(=O)N=c2[n-]ncs2)C1=O	ZINC000337244078	389058362	/nfs/dbraw/zinc/05/83/62/389058362.db2.gz	HSAQLRQCQWFSNP-MRVPVSSYSA-N	-1	0	281.341	0.211	20	30		CCEDRM
CCNC(=O)C1CN(C(=O)CSc2n[nH]c(=O)[n-]2)C1	ZINC000329936037	389212340	/nfs/dbraw/zinc/21/23/40/389212340.db2.gz	RIFCSRRFEYOIAT-UHFFFAOYSA-N	-1	0	285.329	0.037	20	30		CCEDRM
CN(C)S(=O)(=O)c1ccc([O-])c(C(=O)N(C)CC#N)c1	ZINC000342584026	389225127	/nfs/dbraw/zinc/22/51/27/389225127.db2.gz	MLLSSYOYOWIQKP-UHFFFAOYSA-N	-1	0	297.336	0.238	20	30		CCEDRM
CCCc1n[n-]c(=NC(=O)N[C@@H]2CCCNC2=O)s1	ZINC000330446823	389230315	/nfs/dbraw/zinc/23/03/15/389230315.db2.gz	WAONAIAFFMKYHO-SSDOTTSWSA-N	-1	0	283.357	0.517	20	30		CCEDRM
CCCc1nc(=NC(=O)N[C@H]2CCCNC2=O)s[n-]1	ZINC000330488319	389234725	/nfs/dbraw/zinc/23/47/25/389234725.db2.gz	JQNJBJJIMRYLAH-ZETCQYMHSA-N	-1	0	283.357	0.517	20	30		CCEDRM
C=CCS(=O)(=O)[N-]C(=O)[C@@H]1CCO[C@@H](CC)C1	ZINC000408396705	389346449	/nfs/dbraw/zinc/34/64/49/389346449.db2.gz	UVGGEYAYGZFEGM-ZJUUUORDSA-N	-1	0	261.343	0.824	20	30		CCEDRM
CC(C)[C@H](C#N)NC(=O)c1c[nH]c2nc(=O)[n-]c(=O)c-2c1	ZINC000264731189	389350958	/nfs/dbraw/zinc/35/09/58/389350958.db2.gz	HZWMCULOLDRUBO-VIFPVBQESA-N	-1	0	287.279	0.714	20	30		CCEDRM
C=CCS(=O)(=O)[N-]C(=O)[C@H]1CCC(=O)C[C@H]1C	ZINC000408475580	389361762	/nfs/dbraw/zinc/36/17/62/389361762.db2.gz	FWLXPUVXCAUTOQ-SCZZXKLOSA-N	-1	0	259.327	0.624	20	30		CCEDRM
COC(=O)[C@@H](C)NC(=O)c1cc(C#N)c(SC)[n-]c1=O	ZINC000349753332	389430160	/nfs/dbraw/zinc/43/01/60/389430160.db2.gz	CGNFUSDYFKSFKJ-ZCFIWIBFSA-N	-1	0	295.320	0.672	20	30		CCEDRM
N#Cc1c[n-]c(=O)n(C[C@H]2CCCC2(F)F)c1=O	ZINC000335475677	389571047	/nfs/dbraw/zinc/57/10/47/389571047.db2.gz	AWQPQRCSFSZRLW-MRVPVSSYSA-N	-1	0	255.224	0.844	20	30		CCEDRM
C[C@@]1(C(=O)[O-])CCCCN1S(=O)(=O)CCCC#N	ZINC000374208403	389557958	/nfs/dbraw/zinc/55/79/58/389557958.db2.gz	ZVZOGEHBCDRUIV-NSHDSACASA-N	-1	0	274.342	0.949	20	30		CCEDRM
Cc1[n-][nH]c(=NC(=O)[C@@H](C)C(=O)OC(C)(C)C)c1C#N	ZINC000414258483	389609667	/nfs/dbraw/zinc/60/96/67/389609667.db2.gz	MBCXFMSIWBRBID-SSDOTTSWSA-N	-1	0	278.312	0.928	20	30		CCEDRM
C=CCCn1cc(C(=O)N[C@]2(C(=O)[O-])CCSC2)nn1	ZINC000425237075	389642586	/nfs/dbraw/zinc/64/25/86/389642586.db2.gz	GNPWSIWLOBMROR-GFCCVEGCSA-N	-1	0	296.352	0.544	20	30		CCEDRM
N#Cc1nnc2ccccc2c1NCc1n[nH]c(=O)[n-]1	ZINC000392479308	389774654	/nfs/dbraw/zinc/77/46/54/389774654.db2.gz	XUERXHUUHBQMEB-UHFFFAOYSA-N	-1	0	267.252	0.937	20	30		CCEDRM
COc1ccc(=NC(=O)NCC2(C#N)CCC2)[n-]n1	ZINC000417047885	389791833	/nfs/dbraw/zinc/79/18/33/389791833.db2.gz	YXSBFLKCAJMFNW-UHFFFAOYSA-N	-1	0	261.285	0.722	20	30		CCEDRM
C=C(C)[C@H]1OCC[C@H]1C(=O)NCCCc1n[nH]c(=O)[n-]1	ZINC000429271338	389747715	/nfs/dbraw/zinc/74/77/15/389747715.db2.gz	ABMFXJJXOYEVHP-MWLCHTKSSA-N	-1	0	280.328	0.540	20	30		CCEDRM
Cc1[n-][nH]c(=NC(=O)c2cccc(-n3ccnn3)c2)c1C#N	ZINC000431460545	389860025	/nfs/dbraw/zinc/86/00/25/389860025.db2.gz	WKUXRSFUCBRINV-UHFFFAOYSA-N	-1	0	293.290	0.845	20	30		CCEDRM
N#CCc1ccc(C(=O)NCCc2nc(=O)o[n-]2)cc1	ZINC000447638157	389960936	/nfs/dbraw/zinc/96/09/36/389960936.db2.gz	ZXNRWPMVQIVKRB-UHFFFAOYSA-N	-1	0	272.264	0.401	20	30		CCEDRM
C=C[C@H]1CCCCN1C(=O)C(=O)NCCC(=O)[O-]	ZINC000420597196	390015329	/nfs/dbraw/zinc/01/53/29/390015329.db2.gz	JDWOHAUXIYJZDJ-VIFPVBQESA-N	-1	0	254.286	0.144	20	30		CCEDRM
CC[C@@H](O)C[N-]S(=O)(=O)c1c(F)cc(C#N)cc1F	ZINC000420752177	390029718	/nfs/dbraw/zinc/02/97/18/390029718.db2.gz	XWRSPDHOXVZJKM-MRVPVSSYSA-N	-1	0	290.291	0.886	20	30		CCEDRM
C=CCOC[C@H](NC(=O)/C=C/c1ccnn1CC)C(=O)[O-]	ZINC000493298173	390122758	/nfs/dbraw/zinc/12/27/58/390122758.db2.gz	UWZMSKGIXZEQNO-FYJFLYSWSA-N	-1	0	293.323	0.688	20	30		CCEDRM
C[C@@H]([C@H](NS(=O)(=O)CCCC#N)C(=O)[O-])C1CC1	ZINC000554676736	390438206	/nfs/dbraw/zinc/43/82/06/390438206.db2.gz	IKSKRFRSUOUPPK-SCZZXKLOSA-N	-1	0	274.342	0.709	20	30		CCEDRM
C=CCOC[C@H](NC(=O)NC[C@@H]1C[C@@H]1C)C(=O)[O-]	ZINC000518469278	390493178	/nfs/dbraw/zinc/49/31/78/390493178.db2.gz	BHVYRTDCOQYRNM-GUBZILKMSA-N	-1	0	256.302	0.597	20	30		CCEDRM
C=CC[C@H](NS(=O)(=O)C[C@H](C)COCC)C(=O)[O-]	ZINC000646041021	390580216	/nfs/dbraw/zinc/58/02/16/390580216.db2.gz	INQCHENRMWJXBJ-ZJUUUORDSA-N	-1	0	279.358	0.608	20	30		CCEDRM
CCN(C[C@H](C)C#N)S(=O)(=O)N[C@@H](C)[C@@H](C)C(=O)[O-]	ZINC000520589706	390583596	/nfs/dbraw/zinc/58/35/96/390583596.db2.gz	DXRJNNYCUPXRPB-BBBLOLIVSA-N	-1	0	291.373	0.412	20	30		CCEDRM
C=CCn1cc(C(=O)N[C@]2(C(=O)[O-])CCSC2)nn1	ZINC000649246112	390536549	/nfs/dbraw/zinc/53/65/49/390536549.db2.gz	NTZSCPVEBCJOEH-LLVKDONJSA-N	-1	0	282.325	0.154	20	30		CCEDRM
C=CCn1cc(C(=O)N2CC[C@H](C)C[C@@H]2C(=O)[O-])nn1	ZINC000649251001	390538403	/nfs/dbraw/zinc/53/84/03/390538403.db2.gz	FEBJEKQYZRMNGT-GXSJLCMTSA-N	-1	0	278.312	0.789	20	30		CCEDRM
CC#CC[C@H](CO)NC(=O)N=c1nc(SC)[n-]s1	ZINC000646297984	390662154	/nfs/dbraw/zinc/66/21/54/390662154.db2.gz	IHMWIQYZHAJBPY-SSDOTTSWSA-N	-1	0	286.382	0.578	20	30		CCEDRM
C=CCCS(=O)(=O)N[C@@H](C(=O)[O-])[C@H]1CCCOC1	ZINC000567691514	390710613	/nfs/dbraw/zinc/71/06/13/390710613.db2.gz	YSRUVVZMJBISNH-VHSXEESVSA-N	-1	0	277.342	0.362	20	30		CCEDRM
CC(C)[C@H](NS(=O)(=O)c1cncc(C#N)c1)C(=O)[O-]	ZINC000261586793	131154513	/nfs/dbraw/zinc/15/45/13/131154513.db2.gz	JCZHRMMQNIKOEF-JTQLQIEISA-N	-1	0	283.309	0.341	20	30		CCEDRM
C[C@H](C(=O)[O-])N(C)S(=O)(=O)c1ccc(F)cc1C#N	ZINC000261630167	131157584	/nfs/dbraw/zinc/15/75/84/131157584.db2.gz	DPPFCDLGGVOROF-SSDOTTSWSA-N	-1	0	286.284	0.791	20	30		CCEDRM
N#Cc1ccc(OCC(=O)N[C@H](CF)C(=O)[O-])cc1	ZINC000262963033	131276146	/nfs/dbraw/zinc/27/61/46/131276146.db2.gz	NZXOXPSELDYDQS-SNVBAGLBSA-N	-1	0	266.228	0.476	20	30		CCEDRM
Cn1cc(/C=C\c2nc(C(=O)[O-])ccc2C#N)nn1	ZINC000356542813	144012980	/nfs/dbraw/zinc/01/29/80/144012980.db2.gz	PCWLESIWKJCVTI-HYXAFXHYSA-N	-1	0	255.237	0.950	20	30		CCEDRM
CC[C@H](NS(=O)(=O)c1ccc(F)cc1C#N)C(=O)[O-]	ZINC000548535483	286046468	/nfs/dbraw/zinc/04/64/68/286046468.db2.gz	OTBGABRBGAQOEV-VIFPVBQESA-N	-1	0	286.284	0.839	20	30		CCEDRM
C=CCCCN(C)C(=O)C(=O)N=c1ncn(C(C)C)[n-]1	ZINC000651580942	411901643	/nfs/dbraw/zinc/90/16/43/411901643.db2.gz	ANATXBAQYOIYNM-UHFFFAOYSA-N	-1	0	279.344	0.644	20	30		CCEDRM
N#Cc1ccc(S(=O)(=O)N2CCC[C@@H]2C(=O)[O-])cc1	ZINC000020548747	171245952	/nfs/dbraw/zinc/24/59/52/171245952.db2.gz	CJOZSXOBHRRZLD-LLVKDONJSA-N	-1	0	280.305	0.796	20	30		CCEDRM
CN(CC(=O)[O-])S(=O)(=O)c1cccc(C#N)c1	ZINC000020554103	171249476	/nfs/dbraw/zinc/24/94/76/171249476.db2.gz	SPOPZYCWJTYEEM-UHFFFAOYSA-N	-1	0	254.267	0.263	20	30		CCEDRM
C[C@@H](O)[C@@H](NC(=O)Nc1ccc(C#N)cc1)C(=O)[O-]	ZINC000022170529	171367861	/nfs/dbraw/zinc/36/78/61/171367861.db2.gz	VINXXJGQAZPKGF-GMSGAONNSA-N	-1	0	263.253	0.514	20	30		CCEDRM
C=CCOC[C@@H](NC(=O)[C@H](C)OCC1CC1)C(=O)[O-]	ZINC000653658531	412331590	/nfs/dbraw/zinc/33/15/90/412331590.db2.gz	KOJPYFWZHFNMNX-GXSJLCMTSA-N	-1	0	271.313	0.574	20	30		CCEDRM
C=CCCOCC(=O)N1C[C@H](OC)C[C@H]1CC(=O)[O-]	ZINC000653668239	412334765	/nfs/dbraw/zinc/33/47/65/412334765.db2.gz	ZVNLJSRMXGLRSI-WDEREUQCSA-N	-1	0	271.313	0.670	20	30		CCEDRM
C=CCCn1cc(C(=O)N(C)[C@@H](CC)C(=O)[O-])nn1	ZINC000653345615	412292895	/nfs/dbraw/zinc/29/28/95/412292895.db2.gz	WXSJOQRLZNSXLS-JTQLQIEISA-N	-1	0	266.301	0.789	20	30		CCEDRM
Cc1cnn(C)c1S(=O)(=O)[N-]c1n[nH]c(C)c1C#N	ZINC000285005435	196176065	/nfs/dbraw/zinc/17/60/65/196176065.db2.gz	GMIFRPOCRFDVMW-UHFFFAOYSA-N	-1	0	280.313	0.433	20	30		CCEDRM
N#Cc1cccc(CS(=O)(=O)NCCC(=O)[O-])c1	ZINC000037420781	173197619	/nfs/dbraw/zinc/19/76/19/173197619.db2.gz	YFFIDIPHFMEWOM-UHFFFAOYSA-N	-1	0	268.294	0.452	20	30		CCEDRM
C=CCn1cc(CNC(=O)[C@@H](C(=O)[O-])C2CC2)nn1	ZINC000663056266	414966230	/nfs/dbraw/zinc/96/62/30/414966230.db2.gz	LODSQNKTWMWQKS-JTQLQIEISA-N	-1	0	264.285	0.191	20	30		CCEDRM
C=CCn1cc(CNC(=O)[C@]2(C(=O)[O-])CC2(C)C)nn1	ZINC000663056302	414966913	/nfs/dbraw/zinc/96/69/13/414966913.db2.gz	MESGPONBQYANOA-ZDUSSCGKSA-N	-1	0	278.312	0.581	20	30		CCEDRM
C=CCOCCNS(=O)(=O)c1csnc1C(=O)[O-]	ZINC000663429691	415065736	/nfs/dbraw/zinc/06/57/36/415065736.db2.gz	GMUAOXWJOHFDAD-UHFFFAOYSA-N	-1	0	292.338	0.322	20	30		CCEDRM
C=CCNC(=O)CN1Cc2ccccc2[C@H](C(=O)[O-])C1	ZINC000087612285	544503050	/nfs/dbraw/zinc/50/30/50/544503050.db2.gz	UQQDLQYELSMREX-CYBMUJFWSA-N	-1	0	274.320	0.973	20	30		CCEDRM
C=CCNc1ncc(C(=O)N(C)[C@H](C)C(=O)[O-])s1	ZINC000518374945	260389822	/nfs/dbraw/zinc/38/98/22/260389822.db2.gz	JZVCYKSXUYZLDT-SSDOTTSWSA-N	-1	0	269.326	0.708	20	30		CCEDRM
N#C[C@@H](NC(=O)CSc1n[nH]c(=O)[n-]1)C1CCCCC1	ZINC000185796861	262071422	/nfs/dbraw/zinc/07/14/22/262071422.db2.gz	XPTBNDHTBPUGLA-SECBINFHSA-N	-1	0	295.368	0.779	20	30		CCEDRM
N#C[C@@H]1COCCN1S(=O)(=O)c1ccc(C(=O)[O-])cc1	ZINC000273635953	263018740	/nfs/dbraw/zinc/01/87/40/263018740.db2.gz	BCRBZYHIJJKAIY-SNVBAGLBSA-N	-1	0	296.304	0.298	20	30		CCEDRM
C=CCN=c1[n-]nc(S(=O)(=O)C[C@H](O)CC)s1	ZINC000453015630	263177104	/nfs/dbraw/zinc/17/71/04/263177104.db2.gz	HLPTYHUOMWXWOQ-SSDOTTSWSA-N	-1	0	277.371	0.103	20	30		CCEDRM
C[C@@H](C#N)CN(C)C(=O)c1cc([N+](=O)[O-])c[nH]c1=O	ZINC000299237723	263236132	/nfs/dbraw/zinc/23/61/32/263236132.db2.gz	HLSCULUWNMSGMG-ZETCQYMHSA-N	-1	0	264.241	0.927	20	30		CCEDRM
CN(Cc1cnn(C)c1)C([O-])=Nc1cccn(C)c1=O	ZINC000330854557	264069669	/nfs/dbraw/zinc/06/96/69/264069669.db2.gz	HFPQJWGZARUKAD-UHFFFAOYSA-N	-1	0	275.312	0.796	20	30		CCEDRM
CC[C@H](C)N(CC(=O)[O-])S(=O)(=O)N(CC)CCC#N	ZINC000417421389	264236291	/nfs/dbraw/zinc/23/62/91/264236291.db2.gz	MELUBCISNGAKAR-JTQLQIEISA-N	-1	0	291.373	0.652	20	30		CCEDRM
CC[C@H](CC#N)NS(=O)(=O)[N-]CC(F)(F)F	ZINC000126941711	264238513	/nfs/dbraw/zinc/23/85/13/264238513.db2.gz	SQVGKWDEPYMLJK-ZCFIWIBFSA-N	-1	0	259.253	0.665	20	30		CCEDRM
CCN(C[C@@H](C)C#N)S(=O)(=O)[N-]CC(F)(F)F	ZINC000126926894	264239138	/nfs/dbraw/zinc/23/91/38/264239138.db2.gz	XVJJISPLKYOZHC-ZETCQYMHSA-N	-1	0	273.280	0.865	20	30		CCEDRM
C#CC[C@H](NS(=O)(=O)c1ccccc1C)C(=O)[O-]	ZINC000161243778	264280404	/nfs/dbraw/zinc/28/04/04/264280404.db2.gz	BZGKDMHWMUBABA-JTQLQIEISA-N	-1	0	267.306	0.750	20	30		CCEDRM
C=C[C@@H](CO)NC(=O)c1nn(-c2ccc(F)cc2)cc1[O-]	ZINC000356868381	266198303	/nfs/dbraw/zinc/19/83/03/266198303.db2.gz	BBQVODYEVLRNDY-JTQLQIEISA-N	-1	0	291.282	0.994	20	30		CCEDRM
C=CCCC(=O)N[C@H]1CCN([C@H](C(=O)[O-])C(C)C)C1=O	ZINC000358710519	266488404	/nfs/dbraw/zinc/48/84/04/266488404.db2.gz	HCOQOJMZVHSFJP-JQWIXIFHSA-N	-1	0	282.340	0.779	20	30		CCEDRM
N#Cc1ncn(CCN=c2[n-]c(C3CCC3)no2)n1	ZINC000570898188	327631756	/nfs/dbraw/zinc/63/17/56/327631756.db2.gz	QFCXDZWLKWKGGD-UHFFFAOYSA-N	-1	0	259.273	0.334	20	30		CCEDRM
C=C[C@H](CO)N=c1[n-]nc(C2CCOCC2)s1	ZINC000338727107	327988407	/nfs/dbraw/zinc/98/84/07/327988407.db2.gz	WCOVYUGBSYESJL-SECBINFHSA-N	-1	0	255.343	0.813	20	30		CCEDRM
C=CCC[C@H](NS(=O)(=O)C1(COC)CC1)C(=O)[O-]	ZINC000571081850	328084675	/nfs/dbraw/zinc/08/46/75/328084675.db2.gz	HLCPJYDLSUNIFY-VIFPVBQESA-N	-1	0	277.342	0.504	20	30		CCEDRM
C=C[C@@H]1OCC[C@H]1NC(=O)N=c1ccc(OC)n[n-]1	ZINC000569561306	327198185	/nfs/dbraw/zinc/19/81/85/327198185.db2.gz	ICTUUDMFJPWUAH-BDAKNGLRSA-N	-1	0	264.285	0.372	20	30		CCEDRM
C=CCCS(=O)(=O)N1C[C@H](C)O[C@H](C)[C@H]1C(=O)[O-]	ZINC000574813171	327381936	/nfs/dbraw/zinc/38/19/36/327381936.db2.gz	SERLUWJVINRXNT-AEJSXWLSSA-N	-1	0	277.342	0.455	20	30		CCEDRM
Cc1n[nH]c(C)c1S(=O)(=O)[N-]c1ccn(CCC#N)n1	ZINC000117740948	328942905	/nfs/dbraw/zinc/94/29/05/328942905.db2.gz	WLLJSKKYSKHKLN-UHFFFAOYSA-N	-1	0	294.340	0.938	20	30		CCEDRM
C=CCOCCCC(=O)N1CCO[C@H](c2nnn[n-]2)C1	ZINC000377865203	329032468	/nfs/dbraw/zinc/03/24/68/329032468.db2.gz	IMXWGOGTTPQUFC-JTQLQIEISA-N	-1	0	281.316	0.082	20	30		CCEDRM
C=CCCn1cc(C(=O)N[C@@H](C)[C@@H](C)C(=O)[O-])nn1	ZINC000425236398	329645986	/nfs/dbraw/zinc/64/59/86/329645986.db2.gz	FKIZILGHIJJWII-BDAKNGLRSA-N	-1	0	266.301	0.693	20	30		CCEDRM
COC(=O)c1ncsc1S(=O)(=O)[N-]CCC#N	ZINC000134705444	329660365	/nfs/dbraw/zinc/66/03/65/329660365.db2.gz	NAPARWCYHUARPJ-UHFFFAOYSA-N	-1	0	275.311	0.122	20	30		CCEDRM
C=CC[C@@H](CO)CN=c1[n-]c(C(=O)OCC)co1	ZINC000418916677	329700884	/nfs/dbraw/zinc/70/08/84/329700884.db2.gz	HJGSGXCVMRENBU-SECBINFHSA-N	-1	0	254.286	0.870	20	30		CCEDRM
C=C(C)CS(=O)(=O)N[C@H](CC(F)(F)F)C(=O)[O-]	ZINC000572361029	330001977	/nfs/dbraw/zinc/00/19/77/330001977.db2.gz	ZCXYMZZBIQTVPK-ZCFIWIBFSA-N	-1	0	275.248	0.888	20	30		CCEDRM
C=CCOC[C@H](NC(=O)CC[C@H](C)OC)C(=O)[O-]	ZINC000263105965	330043993	/nfs/dbraw/zinc/04/39/93/330043993.db2.gz	UKLJDDKXDXQYPX-UWVGGRQHSA-N	-1	0	259.302	0.574	20	30		CCEDRM
C#CCOc1ccccc1NC(=O)NC[C@](C)(O)C(=O)[O-]	ZINC000262993169	330038159	/nfs/dbraw/zinc/03/81/59/330038159.db2.gz	DSUXEORPOYCTKR-AWEZNQCLSA-N	-1	0	292.291	0.656	20	30		CCEDRM
C=CCOC[C@H](NC(=O)[C@]1(C)CC1(F)F)C(=O)[O-]	ZINC000263294039	330051715	/nfs/dbraw/zinc/05/17/15/330051715.db2.gz	ZFBFUVJQANVHKK-XVKPBYJWSA-N	-1	0	263.240	0.804	20	30		CCEDRM
C=CCOCCCC(=O)N1CCOC[C@@H]1CC(=O)[O-]	ZINC000263340228	330052639	/nfs/dbraw/zinc/05/26/39/330052639.db2.gz	XGPPJPAHKDYZNZ-NSHDSACASA-N	-1	0	271.313	0.671	20	30		CCEDRM
C[C@@H](CN(C)S(=O)(=O)CC1(CC#N)CC1)C(=O)[O-]	ZINC000263509604	330058409	/nfs/dbraw/zinc/05/84/09/330058409.db2.gz	XBAQDWZVRZTFNJ-VIFPVBQESA-N	-1	0	274.342	0.663	20	30		CCEDRM
CCN(CCC#N)S(=O)(=O)N1CC[C@@](C)(C(=O)[O-])C1	ZINC000263513842	330058578	/nfs/dbraw/zinc/05/85/78/330058578.db2.gz	YXWJVHIVOZQZSW-LLVKDONJSA-N	-1	0	289.357	0.263	20	30		CCEDRM
CC(C)(CC#N)CS(=O)(=O)N1CCC[C@H]1C(=O)[O-]	ZINC000263555625	330059450	/nfs/dbraw/zinc/05/94/50/330059450.db2.gz	OAEVXXODWCVEGI-VIFPVBQESA-N	-1	0	274.342	0.805	20	30		CCEDRM
CC[C@H](C(=O)[O-])N(C)S(=O)(=O)N(C)[C@@H](C)CC#N	ZINC000574992706	330125028	/nfs/dbraw/zinc/12/50/28/330125028.db2.gz	VMNPZOHTLPIZDL-DTWKUNHWSA-N	-1	0	277.346	0.260	20	30		CCEDRM
C=C(CC)CNC(=O)C(=O)N1C[C@H](C)C[C@H](C(=O)[O-])C1	ZINC000422702559	330151117	/nfs/dbraw/zinc/15/11/17/330151117.db2.gz	KZZQHSMMAFRCOO-MNOVXSKESA-N	-1	0	282.340	0.638	20	30		CCEDRM
C=C(C)CN(CC)C(=O)C(=O)N1C[C@H](C)C[C@H](C(=O)[O-])C1	ZINC000422715107	330151811	/nfs/dbraw/zinc/15/18/11/330151811.db2.gz	RUFDZLKEBDOAEY-NEPJUHHUSA-N	-1	0	296.367	0.980	20	30		CCEDRM
C=CCN(C(=O)C(=O)N1C[C@@H](C)C[C@H](C(=O)[O-])C1)C1CC1	ZINC000422909566	330159891	/nfs/dbraw/zinc/15/98/91/330159891.db2.gz	GIRDRXYWVOSRMA-QWRGUYRKSA-N	-1	0	294.351	0.733	20	30		CCEDRM
C=C(C)CN(C)C(=O)C(=O)NC[C@@H](CC(C)C)C(=O)[O-]	ZINC000424494361	330358003	/nfs/dbraw/zinc/35/80/03/330358003.db2.gz	PNGXHDPOPVPVHO-LLVKDONJSA-N	-1	0	284.356	0.884	20	30		CCEDRM
CC#CCS(=O)(=O)[N-]C(=O)/C=C/c1ccnn1CC	ZINC000493382284	332437868	/nfs/dbraw/zinc/43/78/68/332437868.db2.gz	GOXOBCSOYPPBON-VOTSOKGWSA-N	-1	0	281.337	0.386	20	30		CCEDRM
CCN([C@H](C)CC(=O)[O-])S(=O)(=O)N(C)[C@@H](C)CC#N	ZINC000566313713	334642442	/nfs/dbraw/zinc/64/24/42/334642442.db2.gz	MWCQRJDGOLHLQC-VHSXEESVSA-N	-1	0	291.373	0.650	20	30		CCEDRM
C=CCCS(=O)(=O)N1C[C@@H](C(=O)[O-])[C@@]2(CCOC2)C1	ZINC000516841695	333084061	/nfs/dbraw/zinc/08/40/61/333084061.db2.gz	LQXJFOQGWKPXNK-JQWIXIFHSA-N	-1	0	289.353	0.315	20	30		CCEDRM
C#CCN(CC#C)S(=O)(=O)c1cccc(C(=O)[O-])c1C	ZINC000185039870	333134742	/nfs/dbraw/zinc/13/47/42/333134742.db2.gz	YTHGMFBMPKKSQW-UHFFFAOYSA-N	-1	0	291.328	0.950	20	30		CCEDRM
C=C(C)CS(=O)(=O)N1C[C@H](C)O[C@@H](C)[C@@H]1C(=O)[O-]	ZINC000575926867	335132206	/nfs/dbraw/zinc/13/22/06/335132206.db2.gz	LLTYVWOSNKIYQO-LPEHRKFASA-N	-1	0	277.342	0.455	20	30		CCEDRM
C#C[C@@H](CC)[N-]S(=O)(=O)c1scnc1C(=O)OC	ZINC000233903714	333355988	/nfs/dbraw/zinc/35/59/88/333355988.db2.gz	GFDRJYXYNQOXEP-ZETCQYMHSA-N	-1	0	288.350	0.620	20	30		CCEDRM
C[C@@]1(C(=O)[O-])CCCN(S(=O)(=O)CC2(C#N)CC2)C1	ZINC000548244258	334146937	/nfs/dbraw/zinc/14/69/37/334146937.db2.gz	JIFBXVSRNUXVFK-LLVKDONJSA-N	-1	0	286.353	0.807	20	30		CCEDRM
C[C@@H](NS(=O)(=O)CC1(C#N)CCCC1)C(=O)[O-]	ZINC000548529888	334162277	/nfs/dbraw/zinc/16/22/77/334162277.db2.gz	VSHPAAODYJRQJW-MRVPVSSYSA-N	-1	0	260.315	0.463	20	30		CCEDRM
C=C(C)CS(=O)(=O)N[C@@]1(CC(=O)[O-])CCOC1	ZINC000576277062	335181182	/nfs/dbraw/zinc/18/11/82/335181182.db2.gz	LYTRTZHCFOYASG-SNVBAGLBSA-N	-1	0	263.315	0.116	20	30		CCEDRM
C[C@H](CC#N)N(C)S(=O)(=O)NCCC[C@H](C)C(=O)[O-]	ZINC000564732956	334518367	/nfs/dbraw/zinc/51/83/67/334518367.db2.gz	WHHQCFPTONVEJE-VHSXEESVSA-N	-1	0	291.373	0.556	20	30		CCEDRM
CCn1cnc(S(=O)(=O)[N-]c2cc(C)c(C#N)cn2)c1	ZINC000565371411	334557522	/nfs/dbraw/zinc/55/75/22/334557522.db2.gz	HONHKVWWTSLDJK-UHFFFAOYSA-N	-1	0	291.336	0.701	20	30		CCEDRM
C=CCC[C@H](NC(=O)CCNC(=O)c1ccco1)C(=O)[O-]	ZINC000262960791	334582006	/nfs/dbraw/zinc/58/20/06/334582006.db2.gz	RSKWPEPORNXKMQ-JTQLQIEISA-N	-1	0	294.307	0.935	20	30		CCEDRM
C=C[C@@H](CCC(=O)[O-])NS(=O)(=O)c1cn(C)cn1	ZINC000567564502	334734189	/nfs/dbraw/zinc/73/41/89/334734189.db2.gz	WDOSRKBKJFEEON-QMMMGPOBSA-N	-1	0	273.314	0.118	20	30		CCEDRM
CCC(C)(C)[C@@H](NS(=O)(=O)N(C)CCC#N)C(=O)[O-]	ZINC000567886218	334771848	/nfs/dbraw/zinc/77/18/48/334771848.db2.gz	JKCZPUIWBNXDTB-VIFPVBQESA-N	-1	0	291.373	0.556	20	30		CCEDRM
Cn1cc(C#N)c(=NC(=O)[C@H]2CCC(=O)c3cccn32)[n-]1	ZINC000578062029	335474291	/nfs/dbraw/zinc/47/42/91/335474291.db2.gz	LFKUFQVRPYMRQT-LLVKDONJSA-N	-1	0	283.291	0.671	20	30		CCEDRM
C=CCOC[C@@H](NC(=O)NCc1ccoc1)C(=O)[O-]	ZINC000578110134	335496980	/nfs/dbraw/zinc/49/69/80/335496980.db2.gz	XXVFUJMGJONMMT-SNVBAGLBSA-N	-1	0	268.269	0.735	20	30		CCEDRM
CC[C@H](CCC(=O)[O-])NS(=O)(=O)CC1(C#N)CC1	ZINC000579081136	335706846	/nfs/dbraw/zinc/70/68/46/335706846.db2.gz	ISFLFXLRQLUOLP-SECBINFHSA-N	-1	0	274.342	0.853	20	30		CCEDRM
C=C[C@@H](CCC(=O)[O-])NS(=O)(=O)C[C@@H]1CCCO1	ZINC000579562013	335802633	/nfs/dbraw/zinc/80/26/33/335802633.db2.gz	WSCHFZFXLRUOBD-UWVGGRQHSA-N	-1	0	277.342	0.504	20	30		CCEDRM
C=C1CCN(S(=O)(=O)c2n[nH]cc2C(=O)[O-])CC1	ZINC000382533987	336092740	/nfs/dbraw/zinc/09/27/40/336092740.db2.gz	MWISETCDVUUFRC-UHFFFAOYSA-N	-1	0	271.298	0.449	20	30		CCEDRM
C=CCCC(=O)N(C)CC(=O)N1CCC[C@@H](C(=O)[O-])C1	ZINC000237326844	534601067	/nfs/dbraw/zinc/60/10/67/534601067.db2.gz	MWLIOXALIDMUOT-LLVKDONJSA-N	-1	0	282.340	0.734	20	30		CCEDRM
N#CCN(CCC(=O)[O-])S(=O)(=O)c1cccs1	ZINC000586163630	974963956	/nfs/dbraw/zinc/96/39/56/974963956.db2.gz	TVTHRAPKCFIBGB-UHFFFAOYSA-N	-1	0	274.323	0.737	20	30		CCEDRM
N#Cc1cnc(NCCCc2n[nH]c(=O)[n-]2)c(F)c1	ZINC000413177350	534826758	/nfs/dbraw/zinc/82/67/58/534826758.db2.gz	VVYANXOSCBMXPH-UHFFFAOYSA-N	-1	0	262.248	0.961	20	30		CCEDRM
O=C([O-])[C@@H]1CN(C(=O)NCC#Cc2ccccc2)CCO1	ZINC000666513534	545124621	/nfs/dbraw/zinc/12/46/21/545124621.db2.gz	YKCWSTJAXIFQRF-ZDUSSCGKSA-N	-1	0	288.303	0.533	20	30		CCEDRM
CC(C)C[C@H](CNC(=O)Cn1cnc(C#N)n1)C(=O)[O-]	ZINC000424242223	528523374	/nfs/dbraw/zinc/52/33/74/528523374.db2.gz	HEDYDNAPDODJDX-SECBINFHSA-N	-1	0	279.300	0.013	20	30		CCEDRM
CCCN(CC(=O)[O-])S(=O)(=O)c1cnc(C)c(C#N)c1	ZINC000261660303	535283113	/nfs/dbraw/zinc/28/31/13/535283113.db2.gz	FACAVGBFNGQDPE-UHFFFAOYSA-N	-1	0	297.336	0.747	20	30		CCEDRM
C=CC[C@H](NS(=O)(=O)C[C@H]1CCCCO1)C(=O)[O-]	ZINC000681557986	545456190	/nfs/dbraw/zinc/45/61/90/545456190.db2.gz	JQXRGONNYCJIND-ZJUUUORDSA-N	-1	0	277.342	0.504	20	30		CCEDRM
C=CCC[C@@H](NS(=O)(=O)CC[C@H]1CCCO1)C(=O)[O-]	ZINC000681578130	545456833	/nfs/dbraw/zinc/45/68/33/545456833.db2.gz	OUKQRDBFVYRTKX-GHMZBOCLSA-N	-1	0	291.369	0.894	20	30		CCEDRM
CC#CC[C@H](NS(=O)(=O)c1c[nH]c(C(C)C)n1)C(=O)[O-]	ZINC000681578419	545456840	/nfs/dbraw/zinc/45/68/40/545456840.db2.gz	BMOGRWCZTQHLIY-VIFPVBQESA-N	-1	0	299.352	0.678	20	30		CCEDRM
CCC[C@H](NC(=O)[O-])C(=O)N[C@]1(C#N)CCSC1	ZINC000739312876	581103637	/nfs/dbraw/zinc/10/36/37/581103637.db2.gz	NRZAAWROPCWEQC-KWQFWETISA-N	-1	0	271.342	0.938	20	30		CCEDRM
C[C@H](NC(=O)[O-])C(=O)Nc1ccn(CCC#N)n1	ZINC000738993573	581114777	/nfs/dbraw/zinc/11/47/77/581114777.db2.gz	CXTZQMRFRXATCW-ZETCQYMHSA-N	-1	0	251.246	0.391	20	30		CCEDRM
C[C@H](NC(=O)[O-])C(=O)O[C@H](C(N)=O)c1ccc(C#N)cc1	ZINC000738995037	581116791	/nfs/dbraw/zinc/11/67/91/581116791.db2.gz	LSQMNVSZRTUQPY-XVKPBYJWSA-N	-1	0	291.263	0.284	20	30		CCEDRM
CC(=NNc1nnc(C)c(=O)[n-]1)c1cc(C)nn1C	ZINC000788964374	581129462	/nfs/dbraw/zinc/12/94/62/581129462.db2.gz	DOYKQBVUXSCHCE-UHFFFAOYSA-N	-1	0	261.289	0.764	20	30		CCEDRM
COCCO[N-]C(=O)C(=O)Nc1ccc(F)c(C#N)c1	ZINC000789823824	581158123	/nfs/dbraw/zinc/15/81/23/581158123.db2.gz	BZFQYACNLQXMKI-UHFFFAOYSA-N	-1	0	281.243	0.330	20	30		CCEDRM
N#C[C@@H](C(=O)CCCNC(=O)[O-])C(=O)NC1CC1	ZINC000739074750	581170132	/nfs/dbraw/zinc/17/01/32/581170132.db2.gz	LNJAHKUZQOTBIK-QMMMGPOBSA-N	-1	0	253.258	0.022	20	30		CCEDRM
N#CCN(CC(=O)[O-])C(=O)c1ccc(Br)cn1	ZINC000739088552	581175409	/nfs/dbraw/zinc/17/54/09/581175409.db2.gz	WIMHCZKSUJMVEB-UHFFFAOYSA-N	-1	0	298.096	0.894	20	30		CCEDRM
COCC1(C(=O)[N-]S(=O)(=O)CCCC#N)CC1	ZINC000779257227	581179026	/nfs/dbraw/zinc/17/90/26/581179026.db2.gz	SANCSZHJRYPFKS-UHFFFAOYSA-N	-1	0	260.315	0.163	20	30		CCEDRM
C[C@](CNC(=O)[O-])(NC(=O)CSCC#N)C1CC1	ZINC000738924468	581194849	/nfs/dbraw/zinc/19/48/49/581194849.db2.gz	KCORKSXZLIKGPP-LLVKDONJSA-N	-1	0	271.342	0.796	20	30		CCEDRM
O=C([O-])Cn1cc(/C=C/C(=O)c2cn3ccccc3n2)nn1	ZINC000791427521	581221592	/nfs/dbraw/zinc/22/15/92/581221592.db2.gz	INYWWBARMAAKIP-SNAWJCMRSA-N	-1	0	297.274	0.907	20	30		CCEDRM
C=CCOc1cccnc1C(=O)[N-]N1CCCC1=O	ZINC000780702074	581241294	/nfs/dbraw/zinc/24/12/94/581241294.db2.gz	OHWOQVIDVUPQDO-UHFFFAOYSA-N	-1	0	261.281	0.914	20	30		CCEDRM
CC[C@@H](NN=C(C)C1CCS(=O)(=O)CC1)C(=O)[O-]	ZINC000793072861	581283175	/nfs/dbraw/zinc/28/31/75/581283175.db2.gz	WUDJQILGUQVKOT-SNVBAGLBSA-N	-1	0	276.358	0.640	20	30		CCEDRM
N#CC1(CS(=O)(=O)[N-]C(=O)c2cocn2)CC1	ZINC000793203036	581288177	/nfs/dbraw/zinc/28/81/77/581288177.db2.gz	FXCOKIZEKLMUTB-UHFFFAOYSA-N	-1	0	255.255	0.038	20	30		CCEDRM
Cc1oc(-n2cccc2)c(C#N)c1C(=O)[N-]N1CN=NC1=O	ZINC000782123908	581288211	/nfs/dbraw/zinc/28/82/11/581288211.db2.gz	HTEGOOJEATVPES-UHFFFAOYSA-N	-1	0	298.262	0.931	20	30		CCEDRM
Cc1cccc(CNC(=O)C(C#N)=C([O-])c2cnn(C)n2)c1	ZINC000793282464	581291950	/nfs/dbraw/zinc/29/19/50/581291950.db2.gz	ZDRBPOKWNFBIMS-LBPRGKRZSA-N	-1	0	297.318	0.762	20	30		CCEDRM
CC1(C(=O)[N-]S(=O)(=O)Cc2ccc(C#N)cc2)COC1	ZINC000782573192	581308454	/nfs/dbraw/zinc/30/84/54/581308454.db2.gz	JYIGKQLGGADGKU-UHFFFAOYSA-N	-1	0	294.332	0.541	20	30		CCEDRM
N#CCCN(Cc1ccccn1)C(=O)CCNC(=O)[O-]	ZINC000738428739	581318584	/nfs/dbraw/zinc/31/85/84/581318584.db2.gz	RWIODNYCRNTPKG-UHFFFAOYSA-N	-1	0	276.296	0.982	20	30		CCEDRM
N#Cc1ccc(OCCNC(=O)CCNC(=O)[O-])cc1	ZINC000738431204	581319211	/nfs/dbraw/zinc/31/92/11/581319211.db2.gz	RYGKQSAZXVNINY-UHFFFAOYSA-N	-1	0	277.280	0.711	20	30		CCEDRM
N#C[C@H]1CN(C(=O)[C@@H]2CCCN2C(=O)[O-])CCN1C1CC1	ZINC000740306159	581322623	/nfs/dbraw/zinc/32/26/23/581322623.db2.gz	DMFYEUCSAICEPE-RYUDHWBXSA-N	-1	0	292.339	0.328	20	30		CCEDRM
N#CC1(C(=O)NC[C@H]2CCCN(C(=O)[O-])C2)CCOCC1	ZINC000740309913	581323641	/nfs/dbraw/zinc/32/36/41/581323641.db2.gz	PKKRYKWOFOQANQ-LLVKDONJSA-N	-1	0	295.339	0.813	20	30		CCEDRM
N#CC1(C(=O)N2CC[C@@H](CNC(=O)[O-])C2)CCOCC1	ZINC000740308677	581323809	/nfs/dbraw/zinc/32/38/09/581323809.db2.gz	AJCSOATVILYLAB-JTQLQIEISA-N	-1	0	281.312	0.423	20	30		CCEDRM
CC(C)(C)CCNN=Cc1cn(CC(=O)[O-])nn1	ZINC000782907776	581326627	/nfs/dbraw/zinc/32/66/27/581326627.db2.gz	OXZHJCHHWFZPNW-UHFFFAOYSA-N	-1	0	253.306	0.722	20	30		CCEDRM
C#CCCNC(=O)CN(C[C@H]1CCCO1)C(=O)[O-]	ZINC000738456879	581330909	/nfs/dbraw/zinc/33/09/09/581330909.db2.gz	DEQPFRPABVZXGF-SNVBAGLBSA-N	-1	0	254.286	0.285	20	30		CCEDRM
C#CCCOC(=O)c1cn(C2CCN(C(=O)[O-])CC2)nn1	ZINC000738457807	581332278	/nfs/dbraw/zinc/33/22/78/581332278.db2.gz	XPFLUSHQASHBQV-UHFFFAOYSA-N	-1	0	292.295	0.773	20	30		CCEDRM
C#CCNC(=O)[C@@H](NC(=O)[O-])c1ccccc1OC	ZINC000738460620	581333330	/nfs/dbraw/zinc/33/33/30/581333330.db2.gz	LIRDTDMXKNDLRY-NSHDSACASA-N	-1	0	262.265	0.753	20	30		CCEDRM
C#CCNC(=O)[C@H](C)N1CCC[C@H](N(C)C(=O)[O-])C1	ZINC000738461159	581333934	/nfs/dbraw/zinc/33/39/34/581333934.db2.gz	OMBKLBUCKPDSND-QWRGUYRKSA-N	-1	0	267.329	0.199	20	30		CCEDRM
C#CCNC(=O)C1CCN(C(=O)[C@H](CC)NC(=O)[O-])CC1	ZINC000738461180	581333949	/nfs/dbraw/zinc/33/39/49/581333949.db2.gz	OUNQTGQXXSCLSB-NSHDSACASA-N	-1	0	295.339	0.021	20	30		CCEDRM
C=C(C)CN(CC)C(=O)CN1CC[C@H](NC(=O)[O-])C1	ZINC000738470895	581344434	/nfs/dbraw/zinc/34/44/34/581344434.db2.gz	NQTVWRGAOIZMKH-NSHDSACASA-N	-1	0	269.345	0.753	20	30		CCEDRM
C[C@H]1C[C@H](C(=O)[N-]S(=O)(=O)c2ccc(C#N)cc2)CO1	ZINC000784481740	581385759	/nfs/dbraw/zinc/38/57/59/581385759.db2.gz	FPKPMVFYYPUSHQ-ONGXEEELSA-N	-1	0	294.332	0.788	20	30		CCEDRM
CCNc1nc(NCC)[n-]c(=NN=C2C(=O)OC[C@H]2C)n1	ZINC000794863073	581389564	/nfs/dbraw/zinc/38/95/64/581389564.db2.gz	CRBUMTVBTFFXAK-SSDOTTSWSA-N	-1	0	293.331	0.696	20	30		CCEDRM
C=CCS(=O)(=O)[N-]C(=O)c1ccc2nsnc2c1	ZINC000784900533	581397772	/nfs/dbraw/zinc/39/77/72/581397772.db2.gz	SSJNTBFUMSQNMT-UHFFFAOYSA-N	-1	0	283.334	0.937	20	30		CCEDRM
CCO[N-]C(=O)C(=O)Nc1ccc(C#N)cc1OC	ZINC000785357418	581405791	/nfs/dbraw/zinc/40/57/91/581405791.db2.gz	GEZQUTYAWBATFR-UHFFFAOYSA-N	-1	0	263.253	0.573	20	30		CCEDRM
O=C([O-])Cn1cc(C=NNC2CCCCC2)nn1	ZINC000786042844	581427736	/nfs/dbraw/zinc/42/77/36/581427736.db2.gz	BBEZPUDROXQING-UHFFFAOYSA-N	-1	0	251.290	0.619	20	30		CCEDRM
C=CCNC(=O)C(C#N)=C([O-])c1ccc(C(=O)OC)[nH]1	ZINC000796743859	581449471	/nfs/dbraw/zinc/44/94/71/581449471.db2.gz	HAJLHJYXENXWAN-QMMMGPOBSA-N	-1	0	275.264	0.426	20	30		CCEDRM
CC[C@](C)(OC)C(=O)[N-]S(=O)(=O)CC(C)(C)C#N	ZINC000796812329	581451267	/nfs/dbraw/zinc/45/12/67/581451267.db2.gz	MMNMTJAWPJQAAR-NSHDSACASA-N	-1	0	276.358	0.797	20	30		CCEDRM
COCCCCS(=O)(=O)[N-]C(=O)c1ccc(C#N)o1	ZINC000797082505	581458841	/nfs/dbraw/zinc/45/88/41/581458841.db2.gz	APRDTJUCSIFXSB-UHFFFAOYSA-N	-1	0	286.309	0.637	20	30		CCEDRM
COCC1(S(=O)(=O)[N-]C(=O)c2ccc(C#N)o2)CC1	ZINC000797276043	581463451	/nfs/dbraw/zinc/46/34/51/581463451.db2.gz	QYFLRRWGTCWXIE-UHFFFAOYSA-N	-1	0	284.293	0.390	20	30		CCEDRM
N#Cc1ccc(NCC(=O)Nc2ccn(CC(=O)[O-])n2)cc1	ZINC000739121037	581507815	/nfs/dbraw/zinc/50/78/15/581507815.db2.gz	JUWBJNZQHWDFGY-UHFFFAOYSA-N	-1	0	299.290	0.890	20	30		CCEDRM
N#Cc1nncn1CC(=O)Nc1ccccc1C(=O)[O-]	ZINC000739144784	581511029	/nfs/dbraw/zinc/51/10/29/581511029.db2.gz	AJOGQIVMAORHRW-UHFFFAOYSA-N	-1	0	271.236	0.487	20	30		CCEDRM
N#Cc1cccc(OCCn2nc(C(=O)[O-])ccc2=O)c1	ZINC000739139911	581511076	/nfs/dbraw/zinc/51/10/76/581511076.db2.gz	LVZDLNAPCHZEMZ-UHFFFAOYSA-N	-1	0	285.259	0.892	20	30		CCEDRM
N#Cc1nccnc1NCCSCCC(=O)[O-]	ZINC000739145792	581511567	/nfs/dbraw/zinc/51/15/67/581511567.db2.gz	WNNOBXCFQOIMLY-UHFFFAOYSA-N	-1	0	252.299	0.968	20	30		CCEDRM
C[C@H]1CN(S(=O)(=O)CCCC#N)C[C@H](C)N1C(=O)[O-]	ZINC000739186733	581520109	/nfs/dbraw/zinc/52/01/09/581520109.db2.gz	BVCAUITVMIHYNQ-UWVGGRQHSA-N	-1	0	289.357	0.693	20	30		CCEDRM
Cc1nc2cc[n-]n2c(=O)c1CC(=O)O[C@@H](C)CC#N	ZINC000733711979	581520877	/nfs/dbraw/zinc/52/08/77/581520877.db2.gz	QUDYXWBKMHTZHA-QMMMGPOBSA-N	-1	0	274.280	0.719	20	30		CCEDRM
CC[C@H](C#N)NC(=O)CN(C[C@@H]1CCCO1)C(=O)[O-]	ZINC000739208173	581522977	/nfs/dbraw/zinc/52/29/77/581522977.db2.gz	KBPICTGONLEZTL-ZJUUUORDSA-N	-1	0	269.301	0.564	20	30		CCEDRM
CC(C)[C@H](CNC(=O)N1CCO[C@H](C#N)C1)NC(=O)[O-]	ZINC000738782914	581541185	/nfs/dbraw/zinc/54/11/85/581541185.db2.gz	GGOHQVVCIUXUSX-ZJUUUORDSA-N	-1	0	284.316	0.213	20	30		CCEDRM
Cc1nnc(NN=Cc2cnc3ccccn23)[n-]c1=O	ZINC000755525695	581544141	/nfs/dbraw/zinc/54/41/41/581544141.db2.gz	XAKLFDPFUFQTLS-UHFFFAOYSA-N	-1	0	269.268	0.979	20	30		CCEDRM
Cc1nn(C)c(C)c1C(=O)[N-]S(=O)(=O)CC1(C#N)CC1	ZINC000753945361	581566158	/nfs/dbraw/zinc/56/61/58/581566158.db2.gz	OVPUHMFWQDJWFY-UHFFFAOYSA-N	-1	0	296.352	0.400	20	30		CCEDRM
CC[C@H](NC(=O)[O-])C(=O)Nc1cnn(CC#N)c1	ZINC000739531644	581567087	/nfs/dbraw/zinc/56/70/87/581567087.db2.gz	SLOMMWLVDMPXGK-QMMMGPOBSA-N	-1	0	251.246	0.391	20	30		CCEDRM
CCCn1cc(C([O-])=C(C#N)C(=O)c2nccn2C)nn1	ZINC000766660502	581574695	/nfs/dbraw/zinc/57/46/95/581574695.db2.gz	GEOZSUGEQFJRHF-VIFPVBQESA-N	-1	0	286.295	0.627	20	30		CCEDRM
CN(C(=O)[O-])[C@H]1CCCN(CC(=O)NCCC#N)C1	ZINC000739581953	581574894	/nfs/dbraw/zinc/57/48/94/581574894.db2.gz	AEDWGBKJJKOXCT-JTQLQIEISA-N	-1	0	268.317	0.090	20	30		CCEDRM
CC(C)NC(=O)C(C#N)=C([O-])c1ccc(C#N)nc1	ZINC000734706811	581582338	/nfs/dbraw/zinc/58/23/38/581582338.db2.gz	YNVMZYXZYAMQPD-LLVKDONJSA-N	-1	0	256.265	0.800	20	30		CCEDRM
C=CCOCC(=O)[N-]S(=O)(=O)c1ccccn1	ZINC000734964712	581598718	/nfs/dbraw/zinc/59/87/18/581598718.db2.gz	YLTAUOMMWRQYDU-UHFFFAOYSA-N	-1	0	256.283	0.089	20	30		CCEDRM
N#Cc1nc(NC(=O)C2(C(=O)NC3CC3)CCC2)[n-]c1C#N	ZINC000729522703	581602222	/nfs/dbraw/zinc/60/22/22/581602222.db2.gz	YQNHKJOTOJXDIL-UHFFFAOYSA-N	-1	0	298.306	0.540	20	30		CCEDRM
CN1CCN(N=C2CCC(NC(=O)[O-])CC2)CC1	ZINC000739736694	581606540	/nfs/dbraw/zinc/60/65/40/581606540.db2.gz	OZMMIRQDIVYGBX-UHFFFAOYSA-N	-1	0	254.334	0.800	20	30		CCEDRM
C=CCOCC(=O)[N-]S(=O)(=O)Cc1ccccc1C#N	ZINC000729886041	581618749	/nfs/dbraw/zinc/61/87/49/581618749.db2.gz	XUIZKIVNOATWKL-UHFFFAOYSA-N	-1	0	294.332	0.707	20	30		CCEDRM
CC#CCCCC(=O)[N-]S(=O)(=O)C[C@@H]1CCOC1	ZINC000767998506	581640315	/nfs/dbraw/zinc/64/03/15/581640315.db2.gz	LPCXRAMMXKVGGE-LLVKDONJSA-N	-1	0	273.354	0.663	20	30		CCEDRM
C=C(C)C[C@H](C)C(=O)[N-]S(=O)(=O)c1ccnn1C	ZINC000768027864	581641161	/nfs/dbraw/zinc/64/11/61/581641161.db2.gz	CYKROYYTDHBIBY-VIFPVBQESA-N	-1	0	271.342	0.827	20	30		CCEDRM
CSCC[C@H](NC(=O)[O-])C(=O)N[C@H](C)CC#N	ZINC000740013491	581644799	/nfs/dbraw/zinc/64/47/99/581644799.db2.gz	PSIAXNNEOVFPAX-SFYZADRCSA-N	-1	0	259.331	0.794	20	30		CCEDRM
C=CCCO[C@H](C)C(=O)N1CCOC[C@H]1c1nnn[n-]1	ZINC000735416928	581647786	/nfs/dbraw/zinc/64/77/86/581647786.db2.gz	UJBAYDLTZNWIKV-ZJUUUORDSA-N	-1	0	281.316	0.081	20	30		CCEDRM
CC#CCS(=O)(=O)[N-]C(=O)[C@@H]1CCO[C@H](C)C1	ZINC000788072438	581657347	/nfs/dbraw/zinc/65/73/47/581657347.db2.gz	VMIIBDMALKCTKN-NXEZZACHSA-N	-1	0	259.327	0.271	20	30		CCEDRM
CC#CCS(=O)(=O)[N-]C(=O)[C@H]1CCO[C@@H](C)C1	ZINC000788072440	581657861	/nfs/dbraw/zinc/65/78/61/581657861.db2.gz	VMIIBDMALKCTKN-UWVGGRQHSA-N	-1	0	259.327	0.271	20	30		CCEDRM
N#C[C@@H](NC(=O)c1csc(CNC(=O)[O-])n1)C1CC1	ZINC000740304573	581662366	/nfs/dbraw/zinc/66/23/66/581662366.db2.gz	WJQCQSOBWAJBTF-SSDOTTSWSA-N	-1	0	280.309	0.943	20	30		CCEDRM
N#CCN1CCC[C@H](CNC(=O)[C@@H]2CCCN2C(=O)[O-])C1	ZINC000740305223	581662512	/nfs/dbraw/zinc/66/25/12/581662512.db2.gz	IDYBLODQZGOTGQ-NEPJUHHUSA-N	-1	0	294.355	0.481	20	30		CCEDRM
N#C[C@H]1CN(C(=O)c2ccc(CNC(=O)[O-])cc2)CCO1	ZINC000740306809	581662848	/nfs/dbraw/zinc/66/28/48/581662848.db2.gz	KYSBPCMBGVMTJW-LBPRGKRZSA-N	-1	0	289.291	0.819	20	30		CCEDRM
N#CCNC(=O)[C@@H]1C[C@@H]2CCCC[C@H]2N1C(=O)[O-]	ZINC000740305905	581662984	/nfs/dbraw/zinc/66/29/84/581662984.db2.gz	WWCKBOYMBMBMSZ-AEJSXWLSSA-N	-1	0	251.286	0.937	20	30		CCEDRM
N#CC1(C(=O)NCCCN2CCN(C(=O)[O-])CC2)CCC1	ZINC000740309862	581663836	/nfs/dbraw/zinc/66/38/36/581663836.db2.gz	NWVVXMNADHDGFM-UHFFFAOYSA-N	-1	0	294.355	0.482	20	30		CCEDRM
C=CCNC(=O)C(C#N)=C([O-])c1cc(OC)ccn1	ZINC000735910734	581670939	/nfs/dbraw/zinc/67/09/39/581670939.db2.gz	FEJPKRFXDLRZLR-JTQLQIEISA-N	-1	0	259.265	0.715	20	30		CCEDRM
N#Cc1ccc(S(=O)(=O)[N-]C(=O)C[C@H]2CCOC2)cc1	ZINC000740524722	581692402	/nfs/dbraw/zinc/69/24/02/581692402.db2.gz	CREZZKMMJBMGQD-LLVKDONJSA-N	-1	0	294.332	0.790	20	30		CCEDRM
C#CCCNC(=O)C(=O)Nc1ccc(NC(=O)[O-])cc1	ZINC000736076277	581694749	/nfs/dbraw/zinc/69/47/49/581694749.db2.gz	DLWXYAVJPCOHQQ-UHFFFAOYSA-N	-1	0	275.264	0.855	20	30		CCEDRM
O=C([O-])NCCOCC(=O)NCC#Cc1ccccc1	ZINC000740668971	581711394	/nfs/dbraw/zinc/71/13/94/581711394.db2.gz	VOWUSJQXZZZUSO-UHFFFAOYSA-N	-1	0	276.292	0.439	20	30		CCEDRM
CC(C)(C)N1C[C@H](C(=O)N(CC#N)CC(=O)[O-])CC1=O	ZINC000736261729	581725837	/nfs/dbraw/zinc/72/58/37/581725837.db2.gz	QVFCFCLYWYHBOG-SECBINFHSA-N	-1	0	281.312	0.070	20	30		CCEDRM
CC(C)[C@](C)(C#N)NC(=O)COC(=O)[C@H]1C[C@@H]1C(=O)[O-]	ZINC000736348966	581748854	/nfs/dbraw/zinc/74/88/54/581748854.db2.gz	FBOPTYBGWPTGBB-RVBZMBCESA-N	-1	0	282.296	0.305	20	30		CCEDRM
CC(C)[C@@H](NC(=O)[O-])C(=O)N1CCN(C2CC2)[C@H](C#N)C1	ZINC000736361333	581749205	/nfs/dbraw/zinc/74/92/05/581749205.db2.gz	CFZFJDCBWCUQKO-VXGBXAGGSA-N	-1	0	294.355	0.477	20	30		CCEDRM
C=CCCOCC(=O)[N-]S(=O)(=O)N(C)CCC	ZINC000770618023	581756720	/nfs/dbraw/zinc/75/67/20/581756720.db2.gz	RRUHPKPXLNDAOO-UHFFFAOYSA-N	-1	0	264.347	0.282	20	30		CCEDRM
COc1ncc(C([O-])=C(C#N)C(=O)c2nccn2C)cn1	ZINC000770871725	581775718	/nfs/dbraw/zinc/77/57/18/581775718.db2.gz	OSTLVKOLDHUBSQ-VIFPVBQESA-N	-1	0	285.263	0.424	20	30		CCEDRM
Cc1cc(OCC(=O)C(C#N)=C([O-])c2nccn2C)no1	ZINC000770871290	581775749	/nfs/dbraw/zinc/77/57/49/581775749.db2.gz	LBINCXGDRMYDFU-VIFPVBQESA-N	-1	0	288.263	0.687	20	30		CCEDRM
CCn1cc(C([O-])=C(C#N)C(=O)c2nccn2C)cn1	ZINC000770877898	581775994	/nfs/dbraw/zinc/77/59/94/581775994.db2.gz	WPZZONPMPHXFHO-SNVBAGLBSA-N	-1	0	271.280	0.842	20	30		CCEDRM
CO[C@@H](C(=O)[N-]S(=O)(=O)CC(C)(C)C#N)C(C)C	ZINC000770908330	581777080	/nfs/dbraw/zinc/77/70/80/581777080.db2.gz	GQVUAMDUNKKJLS-SECBINFHSA-N	-1	0	276.358	0.653	20	30		CCEDRM
Cn1ncc2c1CC/C(=C\c1cn(CC(=O)[O-])nn1)C2=O	ZINC000759077709	581781566	/nfs/dbraw/zinc/78/15/66/581781566.db2.gz	VULVHPNQSXGPIH-XBXARRHUSA-N	-1	0	287.279	0.309	20	30		CCEDRM
Cc1ncoc1C(=O)[N-]S(=O)(=O)CC1(C#N)CCC1	ZINC000771078041	581790410	/nfs/dbraw/zinc/79/04/10/581790410.db2.gz	XYYNMNPHPPCIPE-UHFFFAOYSA-N	-1	0	283.309	0.737	20	30		CCEDRM
CCO[C@H](CC)C(=O)[N-]S(=O)(=O)CC1(C#N)CCC1	ZINC000771077916	581790481	/nfs/dbraw/zinc/79/04/81/581790481.db2.gz	GWRGNRUWPDIXNZ-SNVBAGLBSA-N	-1	0	288.369	0.941	20	30		CCEDRM
C[C@H](NC(=O)c1ccccc1)C(=O)N(CC#N)CC(=O)[O-]	ZINC000736659374	581812548	/nfs/dbraw/zinc/81/25/48/581812548.db2.gz	TZLRYCGYVHWOBY-JTQLQIEISA-N	-1	0	289.291	0.242	20	30		CCEDRM
COCC(=O)N(C)CC(=O)Nc1cc(C#N)ccc1[O-]	ZINC000759712892	581817037	/nfs/dbraw/zinc/81/70/37/581817037.db2.gz	BTXPEJGGPASTIU-UHFFFAOYSA-N	-1	0	277.280	0.307	20	30		CCEDRM
C=CCCO[C@H](C)C(=O)[N-]S(=O)(=O)CCOC	ZINC000732522579	581833427	/nfs/dbraw/zinc/83/34/27/581833427.db2.gz	AYEZPKMOGGPKIJ-SECBINFHSA-N	-1	0	265.331	0.060	20	30		CCEDRM
C=CCS(=O)(=O)[N-]C(=O)[C@@H]1CC(=O)N(CC(C)C)C1	ZINC000772724257	581843761	/nfs/dbraw/zinc/84/37/61/581843761.db2.gz	WNXFZFMFGMMLSD-SNVBAGLBSA-N	-1	0	288.369	0.123	20	30		CCEDRM
COC(=O)c1coc(C([O-])=C(C#N)C(=O)NC2CC2)c1	ZINC000760183276	581848211	/nfs/dbraw/zinc/84/82/11/581848211.db2.gz	KRVMECFCOVNMPE-VIFPVBQESA-N	-1	0	276.248	0.667	20	30		CCEDRM
C=CCS(=O)(=O)[N-]C(=O)c1cnn2ccc(C)nc12	ZINC000772721691	581886737	/nfs/dbraw/zinc/88/67/37/581886737.db2.gz	WNXFPSVTXAOZMW-UHFFFAOYSA-N	-1	0	280.309	0.283	20	30		CCEDRM
N#Cc1nc(NC(=O)CNCC(F)(F)F)[n-]c1C#N	ZINC000733358615	581902553	/nfs/dbraw/zinc/90/25/53/581902553.db2.gz	BULNSSCYXKLHDP-UHFFFAOYSA-N	-1	0	272.190	0.243	20	30		CCEDRM
C#CCNC(=O)[C@H](C)OC(=O)c1c(F)cc([O-])cc1F	ZINC000746987291	581930111	/nfs/dbraw/zinc/93/01/11/581930111.db2.gz	VAOJZQXKFWVMRV-ZETCQYMHSA-N	-1	0	283.230	0.965	20	30		CCEDRM
N#Cc1ccc(CC(=O)[N-]S(=O)(=O)CCCF)cc1	ZINC000747130386	581933087	/nfs/dbraw/zinc/93/30/87/581933087.db2.gz	HEIQRVKVEMCZLT-UHFFFAOYSA-N	-1	0	284.312	0.906	20	30		CCEDRM
C=CCN(CC(=O)[O-])S(=O)(=O)CC1CCOCC1	ZINC000275272675	581937347	/nfs/dbraw/zinc/93/73/47/581937347.db2.gz	KBWNOOVXGUPNPW-UHFFFAOYSA-N	-1	0	277.342	0.315	20	30		CCEDRM
Cc1n[nH]c(C)c1S(=O)(=O)[N-]c1cnn(CC#N)c1	ZINC000747407810	581939394	/nfs/dbraw/zinc/93/93/94/581939394.db2.gz	VCCXCAWWSFTWAB-UHFFFAOYSA-N	-1	0	280.313	0.547	20	30		CCEDRM
C=CCNC(=O)C(C#N)=C([O-])c1coc(OCC)n1	ZINC000773978910	581951092	/nfs/dbraw/zinc/95/10/92/581951092.db2.gz	DOJIWMFBRQGDCZ-MRVPVSSYSA-N	-1	0	263.253	0.698	20	30		CCEDRM
CN(CC(=O)N[C@](C)(C#N)C1CC1)C(C)(C)C(=O)[O-]	ZINC000737390319	581951124	/nfs/dbraw/zinc/95/11/24/581951124.db2.gz	XPAPVJPSKXIFAX-CYBMUJFWSA-N	-1	0	267.329	0.590	20	30		CCEDRM
C=CCNC(=O)C(C#N)=C([O-])c1ccnc(-n2ccnc2)c1	ZINC000773980256	581951189	/nfs/dbraw/zinc/95/11/89/581951189.db2.gz	PONOTDRECRTPSF-GFCCVEGCSA-N	-1	0	295.302	0.892	20	30		CCEDRM
COCC#CCOC(=O)c1ccccc1[N-]S(C)(=O)=O	ZINC000762768575	581960486	/nfs/dbraw/zinc/96/04/86/581960486.db2.gz	KIZDXMVAJPVEGG-UHFFFAOYSA-N	-1	0	297.332	0.865	20	30		CCEDRM
C=CCN(CC(=O)[O-])C(=O)COC[C@H]1CCCO1	ZINC000737527549	581973084	/nfs/dbraw/zinc/97/30/84/581973084.db2.gz	XXVHQNCZBVRXDZ-SNVBAGLBSA-N	-1	0	257.286	0.281	20	30		CCEDRM
C=CCN(CC(=O)[O-])C(=O)[C@H]1CSCN1C(=O)CC	ZINC000737527260	581973095	/nfs/dbraw/zinc/97/30/95/581973095.db2.gz	ICCXXVAWARBBBF-SECBINFHSA-N	-1	0	286.353	0.397	20	30		CCEDRM
C=CCS(=O)(=O)[N-]C(=O)c1cc(C2CC2)n[nH]1	ZINC000763032771	581978641	/nfs/dbraw/zinc/97/86/41/581978641.db2.gz	HMXRIKCYMNLFMU-UHFFFAOYSA-N	-1	0	255.299	0.533	20	30		CCEDRM
COC(=O)[C@H](OC(=O)CNC(=O)[O-])c1ccc(C#N)cc1	ZINC000737575965	581983087	/nfs/dbraw/zinc/98/30/87/581983087.db2.gz	CWGLLYKDVXNGCY-LLVKDONJSA-N	-1	0	292.247	0.583	20	30		CCEDRM
COC(=O)C[C@H](NC(=O)c1sccc1C#N)C(=O)[O-]	ZINC000737593905	581985665	/nfs/dbraw/zinc/98/56/65/581985665.db2.gz	WSEJWOPQPJWZMD-ZETCQYMHSA-N	-1	0	282.277	0.366	20	30		CCEDRM
CO[C@@H](C)CS(=O)(=O)[N-]C(=O)c1cccc(CC#N)c1	ZINC000764174930	582033737	/nfs/dbraw/zinc/03/37/37/582033737.db2.gz	VFEQQQPQFGVDBB-JTQLQIEISA-N	-1	0	296.348	0.847	20	30		CCEDRM
C=C(C)[C@H](CC(=O)[N-]S(=O)(=O)C[C@H](C)OC)OCC	ZINC000764187765	582034446	/nfs/dbraw/zinc/03/44/46/582034446.db2.gz	SBMSVIKDHLWDQZ-QWRGUYRKSA-N	-1	0	293.385	0.839	20	30		CCEDRM
Cc1cc(NC(=O)[C@H]2C[C@H]2C(=O)[O-])n(CCC#N)n1	ZINC000738422073	582047774	/nfs/dbraw/zinc/04/77/74/582047774.db2.gz	KBOSWKBMTGSHLO-DTWKUNHWSA-N	-1	0	262.269	0.764	20	30		CCEDRM
N#Cc1c(NC(=O)CCC(=O)[O-])nc2n1CCS2	ZINC000738425576	582048442	/nfs/dbraw/zinc/04/84/42/582048442.db2.gz	NXWQSAOAGVYUBH-UHFFFAOYSA-N	-1	0	266.282	0.664	20	30		CCEDRM
N#Cc1ccc(C(=O)N2CCCN(C(=O)[O-])CC2)nc1	ZINC000738429906	582049031	/nfs/dbraw/zinc/04/90/31/582049031.db2.gz	CDCQPKJDQMFFMV-UHFFFAOYSA-N	-1	0	274.280	0.779	20	30		CCEDRM
C=CCCC[C@H](C)NC(=O)Cn1[n-]cc2c(=O)ncnc1-2	ZINC000776016401	582049395	/nfs/dbraw/zinc/04/93/95/582049395.db2.gz	QWCOZMGNTGCCSP-JTQLQIEISA-N	-1	0	289.339	0.932	20	30		CCEDRM
Cc1c(CCC(=O)[N-]S(=O)(=O)CCCC#N)cnn1C	ZINC000776119084	582052234	/nfs/dbraw/zinc/05/22/34/582052234.db2.gz	BUYKFJMOTQMPIA-UHFFFAOYSA-N	-1	0	298.368	0.411	20	30		CCEDRM
C#Cc1ccc(C(=O)NC[C@@H]2CCCN2C(=O)[O-])cn1	ZINC000738468034	582054308	/nfs/dbraw/zinc/05/43/08/582054308.db2.gz	QRKRKWOJQMSBCV-LBPRGKRZSA-N	-1	0	273.292	0.935	20	30		CCEDRM
C#CCSCCNC(=O)NCCN(C)C(=O)[O-]	ZINC000738469957	582054421	/nfs/dbraw/zinc/05/44/21/582054421.db2.gz	KIQFSMBSMOBZJQ-UHFFFAOYSA-N	-1	0	259.331	0.262	20	30		CCEDRM
C=CCNC(=O)COC(=O)[C@@H](NC(=O)[O-])c1ccccc1	ZINC000738494969	582056149	/nfs/dbraw/zinc/05/61/49/582056149.db2.gz	GZOMQBUMVYQXQB-LBPRGKRZSA-N	-1	0	292.291	0.841	20	30		CCEDRM
COCCS(=O)(=O)[N-]C(=O)c1ccc(C#N)s1	ZINC000750702057	582056220	/nfs/dbraw/zinc/05/62/20/582056220.db2.gz	NXHDXDUZBUSDNY-UHFFFAOYSA-N	-1	0	274.323	0.326	20	30		CCEDRM
Cc1ccc(C#N)cc1S(=O)(=O)N(CC#N)CC(=O)[O-]	ZINC000738500835	582056408	/nfs/dbraw/zinc/05/64/08/582056408.db2.gz	FIIXTBAYLVULHG-UHFFFAOYSA-N	-1	0	293.304	0.466	20	30		CCEDRM
C=CCNC(=O)[C@@H](C)OC(=O)CN(CC)C(=O)[O-]	ZINC000738495918	582056460	/nfs/dbraw/zinc/05/64/60/582056460.db2.gz	QJYSUDVCZVAYJV-MRVPVSSYSA-N	-1	0	258.274	0.220	20	30		CCEDRM
C[C@](C#N)(NC(=O)CN1CC[C@@H](NC(=O)[O-])C1)C1CC1	ZINC000738596092	582064401	/nfs/dbraw/zinc/06/44/01/582064401.db2.gz	FVJCEWWBPQDAKM-ZWNOBZJWSA-N	-1	0	280.328	0.137	20	30		CCEDRM
CN1C(=O)CN([N-]C(=O)c2cc(C#N)cs2)C1=O	ZINC000776249304	582064944	/nfs/dbraw/zinc/06/49/44/582064944.db2.gz	VAWMFSDCDWZMKG-UHFFFAOYSA-N	-1	0	264.266	0.159	20	30		CCEDRM
CC(C)(NC(=O)[O-])C(=O)NC[C@@H]1CCCN(CC#N)C1	ZINC000738754959	582073767	/nfs/dbraw/zinc/07/37/67/582073767.db2.gz	ZHITVIZWHBKSBO-JTQLQIEISA-N	-1	0	282.344	0.384	20	30		CCEDRM
CC(C)[C@H](C#N)N1CCN(C(=O)CSCC(=O)[O-])CC1	ZINC000738760621	582073945	/nfs/dbraw/zinc/07/39/45/582073945.db2.gz	CRFHBVPKAJZKSI-NSHDSACASA-N	-1	0	299.396	0.497	20	30		CCEDRM
CC(C)[C@](C)(C#N)NC(=O)CN1CC[C@@H](NC(=O)[O-])C1	ZINC000738768150	582075059	/nfs/dbraw/zinc/07/50/59/582075059.db2.gz	WAYFLPGUDAWLFW-MFKMUULPSA-N	-1	0	282.344	0.383	20	30		CCEDRM
CC(C)[C@@H](CNC(=O)c1ccc(C#N)cn1)NC(=O)[O-]	ZINC000738787777	582076774	/nfs/dbraw/zinc/07/67/74/582076774.db2.gz	CCSGJSDFRICZNS-LLVKDONJSA-N	-1	0	276.296	0.975	20	30		CCEDRM
CC(C)CN(CCC#N)C(=O)c1cnc([O-])n(C)c1=O	ZINC000751566598	582085739	/nfs/dbraw/zinc/08/57/39/582085739.db2.gz	RXPYJEWSBQVWCH-UHFFFAOYSA-N	-1	0	278.312	0.498	20	30		CCEDRM
Cc1nonc1Cn1cc(C(=O)[O-])cc(C#N)c1=O	ZINC000738957662	582093664	/nfs/dbraw/zinc/09/36/64/582093664.db2.gz	XLNWVZLBPPSJOX-UHFFFAOYSA-N	-1	0	260.209	0.158	20	30		CCEDRM
Cn1cc(C(=O)Cn2cc(C(=O)[O-])cc(C#N)c2=O)cn1	ZINC000739025834	582098106	/nfs/dbraw/zinc/09/81/06/582098106.db2.gz	LZHVVZGRANCUSB-UHFFFAOYSA-N	-1	0	286.247	0.035	20	30		CCEDRM
N#CCN(CC(=O)[O-])C(=O)CSc1ccncc1	ZINC000739078830	582100954	/nfs/dbraw/zinc/10/09/54/582100954.db2.gz	NWRHXXRCXAICMT-UHFFFAOYSA-N	-1	0	265.294	0.610	20	30		CCEDRM
N#CCN(CC(=O)[O-])C(=O)CN1CCCCCCC1=O	ZINC000739077121	582101384	/nfs/dbraw/zinc/10/13/84/582101384.db2.gz	IFIKMMWDPYANNC-UHFFFAOYSA-N	-1	0	281.312	0.216	20	30		CCEDRM
N#CCN(CC(=O)[O-])C(=O)[C@@H]1COc2ccccc2C1	ZINC000739077056	582101397	/nfs/dbraw/zinc/10/13/97/582101397.db2.gz	GSPWGCKWGNVKBN-NSHDSACASA-N	-1	0	274.276	0.674	20	30		CCEDRM
N#CCN(CC(=O)[O-])C(=O)c1ccc([N+](=O)[O-])cc1	ZINC000739085905	582101924	/nfs/dbraw/zinc/10/19/24/582101924.db2.gz	DZVWVLMLGMTEHM-UHFFFAOYSA-N	-1	0	263.209	0.645	20	30		CCEDRM
N#CCN(CC(=O)[O-])C(=O)c1cnn2ccccc12	ZINC000739088228	582102155	/nfs/dbraw/zinc/10/21/55/582102155.db2.gz	SNAWMSILUCXKBF-UHFFFAOYSA-N	-1	0	258.237	0.385	20	30		CCEDRM
N#CCOc1ccc(CC(=O)OCCNC(=O)[O-])cc1	ZINC000739087571	582102170	/nfs/dbraw/zinc/10/21/70/582102170.db2.gz	KNBJYSNPEXMZDW-UHFFFAOYSA-N	-1	0	278.264	0.942	20	30		CCEDRM
N#Cc1ccc(C(=O)NCCSCCC(=O)[O-])nc1	ZINC000739102015	582102411	/nfs/dbraw/zinc/10/24/11/582102411.db2.gz	MZMKJGYAJDCKCC-UHFFFAOYSA-N	-1	0	279.321	0.891	20	30		CCEDRM
N#Cc1cccc(NN=Cc2cn(CC(=O)[O-])nn2)c1	ZINC000768483018	582107277	/nfs/dbraw/zinc/10/72/77/582107277.db2.gz	OAZPIDLSPDHWLZ-UHFFFAOYSA-N	-1	0	270.252	0.680	20	30		CCEDRM
Cc1ccc(N=NCc2cn(CC(=O)[O-])nn2)nc1	ZINC000768483731	582107314	/nfs/dbraw/zinc/10/73/14/582107314.db2.gz	BRVNOKMSMXPILH-UHFFFAOYSA-N	-1	0	260.257	0.512	20	30		CCEDRM
C=C(C)CS(=O)(=O)N[C@@H](C(=O)[O-])C1CCOCC1	ZINC000844783565	613354251	/nfs/dbraw/zinc/35/42/51/613354251.db2.gz	BXNMKKVHMPHHSX-SNVBAGLBSA-N	-1	0	277.342	0.362	20	30		CCEDRM
CO[C@H](CNC(=O)[C@](C)(C#N)CC(=O)[O-])C(F)(F)F	ZINC000820696640	617088205	/nfs/dbraw/zinc/08/82/05/617088205.db2.gz	HXAPLHRHMDDJTH-MUWHJKNJSA-N	-1	0	282.218	0.684	20	30		CCEDRM
C[C@H](C(=O)[O-])N(C)c1ncnc2c1cnn2CCC#N	ZINC000817784602	597126167	/nfs/dbraw/zinc/12/61/67/597126167.db2.gz	ANQYXCCPLRNLGA-MRVPVSSYSA-N	-1	0	274.284	0.649	20	30		CCEDRM
Cc1c(C#N)cccc1NC(=O)C(=O)NCC(=O)[O-]	ZINC000818763258	597276191	/nfs/dbraw/zinc/27/61/91/597276191.db2.gz	YPJAUWRNBPEDQN-UHFFFAOYSA-N	-1	0	261.237	0.006	20	30		CCEDRM
C#CCCCS(=O)(=O)[N-]c1cc(C(=O)OC)n(C)n1	ZINC000863449368	612985394	/nfs/dbraw/zinc/98/53/94/612985394.db2.gz	DXLHGDRZZXLBFC-UHFFFAOYSA-N	-1	0	285.325	0.362	20	30		CCEDRM
C[C@](C#N)(CC(=O)[O-])C(=O)NCCc1cnccn1	ZINC000819842464	597609077	/nfs/dbraw/zinc/60/90/77/597609077.db2.gz	QLOAPVHKBQTHDL-GFCCVEGCSA-N	-1	0	262.269	0.140	20	30		CCEDRM
Cc1cc(COC(=O)[C@@](C)(C#N)CC(=O)[O-])nn1C	ZINC000820976341	597622948	/nfs/dbraw/zinc/62/29/48/597622948.db2.gz	BSLMKYBXRYXALI-GFCCVEGCSA-N	-1	0	265.269	0.776	20	30		CCEDRM
C[C@H]1CN(C(=O)[C@](C)(C#N)CC(=O)[O-])CCS1	ZINC000820246310	597644511	/nfs/dbraw/zinc/64/45/11/597644511.db2.gz	UWMJOCPNTMVJEJ-KWQFWETISA-N	-1	0	256.327	0.955	20	30		CCEDRM
C[C@](C#N)(CC(=O)[O-])C(=O)N[C@H]1CCc2n[nH]cc2C1	ZINC000819833310	597646933	/nfs/dbraw/zinc/64/69/33/597646933.db2.gz	FTMLOLKFEHLIKY-TVQRCGJNSA-N	-1	0	276.296	0.388	20	30		CCEDRM
C[C@](C#N)(CC(=O)[O-])C(=O)N1C[C@H]2CC[C@@H](C1)O2	ZINC000819810546	597652889	/nfs/dbraw/zinc/65/28/89/597652889.db2.gz	CFNPNBGVFNKYGZ-VDDIYKPWSA-N	-1	0	252.270	0.381	20	30		CCEDRM
C[C@@](C#N)(CC(=O)[O-])C(=O)N[C@H]1c2ccccc2C[C@H]1O	ZINC000819847454	597658734	/nfs/dbraw/zinc/65/87/34/597658734.db2.gz	MJBWFACRTZFZMK-ZLDLUXBVSA-N	-1	0	288.303	0.765	20	30		CCEDRM
C[C@@](C#N)(CC(=O)[O-])C(=O)NCC[C@@H]1CCOC1	ZINC000819835898	597816718	/nfs/dbraw/zinc/81/67/18/597816718.db2.gz	YLISYMRHPMHGJK-SKDRFNHKSA-N	-1	0	254.286	0.534	20	30		CCEDRM
N#CCCCNC(=O)C(=O)Nc1ccccc1C(=O)[O-]	ZINC000821320820	597822052	/nfs/dbraw/zinc/82/20/52/597822052.db2.gz	ZPKIRGUQVGYDBD-UHFFFAOYSA-N	-1	0	275.264	0.743	20	30		CCEDRM
N#Cc1ccc(NCC(=O)NCCCCC(=O)[O-])nc1	ZINC000821336061	598167996	/nfs/dbraw/zinc/16/79/96/598167996.db2.gz	IWIGIFJTETVXBQ-UHFFFAOYSA-N	-1	0	276.296	0.736	20	30		CCEDRM
N#C[C@@H]1CSCCN1C(=O)CSCC(=O)[O-]	ZINC000821320517	598181032	/nfs/dbraw/zinc/18/10/32/598181032.db2.gz	QQNOKIMVFPBBMV-SSDOTTSWSA-N	-1	0	260.340	0.272	20	30		CCEDRM
Cc1nnc(NC(=O)[C@](C)(C#N)CC(=O)[O-])s1	ZINC000821224982	598222266	/nfs/dbraw/zinc/22/22/66/598222266.db2.gz	OUIQVVUXHFIMNW-VIFPVBQESA-N	-1	0	254.271	0.790	20	30		CCEDRM
C[C@](C#N)(CC(=O)[O-])C(=O)NCCC(=O)N1CCCCC1	ZINC000819832861	598224391	/nfs/dbraw/zinc/22/43/91/598224391.db2.gz	DJMWYWDAUYIOID-CQSZACIVSA-N	-1	0	295.339	0.510	20	30		CCEDRM
C[C@](C#N)(CC(=O)[O-])C(=O)N1CCCn2nccc21	ZINC000819811444	598225724	/nfs/dbraw/zinc/22/57/24/598225724.db2.gz	OWIUJKCJQAPLED-GFCCVEGCSA-N	-1	0	262.269	0.624	20	30		CCEDRM
C[C@@](C#N)(CC(=O)[O-])C(=O)Nc1nc2ccc(F)cn2n1	ZINC000819865213	598229143	/nfs/dbraw/zinc/22/91/43/598229143.db2.gz	JCMVQAHVKLBHLP-LBPRGKRZSA-N	-1	0	291.242	0.811	20	30		CCEDRM
N#Cc1nc(NC(=O)[C@@H]2CCCS2)[n-]c1-c1nn[nH]n1	ZINC000822815661	599315479	/nfs/dbraw/zinc/31/54/79/599315479.db2.gz	VXEGWGXMMPLLTI-LURJTMIESA-N	-1	0	290.312	0.296	20	30		CCEDRM
C#CCO[C@@H](C)C(=O)N1C[C@@H](CC)[C@](F)(C(=O)[O-])C1	ZINC000910550438	612995672	/nfs/dbraw/zinc/99/56/72/612995672.db2.gz	XDSQGNRJIAMUAG-CWSCBRNRSA-N	-1	0	271.288	0.686	20	30		CCEDRM
N#CC1CCN(S(=O)(=O)c2ccc(C(=O)[O-])o2)CC1	ZINC000694506567	599775407	/nfs/dbraw/zinc/77/54/07/599775407.db2.gz	MUOMSQAYYKHOPO-UHFFFAOYSA-N	-1	0	284.293	0.902	20	30		CCEDRM
N#Cc1ccc(CC(=O)N2CCO[C@H](C(=O)[O-])C2)cc1	ZINC000704665222	599939513	/nfs/dbraw/zinc/93/95/13/599939513.db2.gz	LFQSXTSIBOQAGB-LBPRGKRZSA-N	-1	0	274.276	0.413	20	30		CCEDRM
N#Cc1ccc(NC(=O)CN2C[C@H](O)C[C@H]2C(=O)[O-])cc1	ZINC000229081055	600309642	/nfs/dbraw/zinc/30/96/42/600309642.db2.gz	ZBKHJTKDGWORBT-NEPJUHHUSA-N	-1	0	289.291	0.017	20	30		CCEDRM
N#Cc1c(F)cccc1S(=O)(=O)N1CC[C@H](C(=O)[O-])C1	ZINC000070394013	600716263	/nfs/dbraw/zinc/71/62/63/600716263.db2.gz	MQWWIMGJJXZSIO-QMMMGPOBSA-N	-1	0	298.295	0.793	20	30		CCEDRM
C#CCCCNc1ccc(S(N)(=O)=O)cc1C(=O)[O-]	ZINC000229849716	600822055	/nfs/dbraw/zinc/82/20/55/600822055.db2.gz	GEVWCJFWNILWLU-UHFFFAOYSA-N	-1	0	282.321	0.858	20	30		CCEDRM
N#Cc1ccc(C(=O)N[C@@H](C(=O)[O-])c2ccccn2)nc1	ZINC000833070714	600916161	/nfs/dbraw/zinc/91/61/61/600916161.db2.gz	SFLVUONBHUGWKE-GFCCVEGCSA-N	-1	0	282.259	0.904	20	30		CCEDRM
N#CCN(CC(=O)[O-])CC(=O)NCc1cccs1	ZINC000833067628	601003818	/nfs/dbraw/zinc/00/38/18/601003818.db2.gz	WRIMBIWUHNTIDL-UHFFFAOYSA-N	-1	0	267.310	0.274	20	30		CCEDRM
N#CCN(CC(=O)[O-])CC(=O)N1CCc2ccccc21	ZINC000833066323	601004285	/nfs/dbraw/zinc/00/42/85/601004285.db2.gz	USPHGFCCEWPNOJ-UHFFFAOYSA-N	-1	0	273.292	0.486	20	30		CCEDRM
Cc1ccccc1CCNC(=O)CN(CC#N)CC(=O)[O-]	ZINC000832981111	601005040	/nfs/dbraw/zinc/00/50/40/601005040.db2.gz	YMWSIRBSXFHJMB-UHFFFAOYSA-N	-1	0	289.335	0.564	20	30		CCEDRM
N#CCN(CC(=O)[O-])CC(=O)N1CCO[C@H]2CCCC[C@H]21	ZINC000833066054	601006422	/nfs/dbraw/zinc/00/64/22/601006422.db2.gz	NMZLMJGERTYZGY-NEPJUHHUSA-N	-1	0	295.339	0.067	20	30		CCEDRM
N#C[C@H]1COCCN1CCOc1cccc(C(=O)[O-])c1	ZINC000833062577	601042093	/nfs/dbraw/zinc/04/20/93/601042093.db2.gz	NTGHSDTWSCCEJB-LBPRGKRZSA-N	-1	0	276.292	0.988	20	30		CCEDRM
N#C[C@@H](NC(=O)Cn1cc(C(=O)[O-])nn1)C1CCCCC1	ZINC000833064712	601139859	/nfs/dbraw/zinc/13/98/59/601139859.db2.gz	VDDBJOOBEDEZIU-SNVBAGLBSA-N	-1	0	291.311	0.565	20	30		CCEDRM
N#CCN(CC(=O)[O-])Cc1ccc2c(c1)OCCO2	ZINC000833066883	601226910	/nfs/dbraw/zinc/22/69/10/601226910.db2.gz	KVXDNTIXPIJHGE-UHFFFAOYSA-N	-1	0	262.265	0.868	20	30		CCEDRM
C=CCN(C(C)C)S(=O)(=O)N(C)CCC(=O)[O-]	ZINC000088769649	601255500	/nfs/dbraw/zinc/25/55/00/601255500.db2.gz	JVCMROIQIDPRDS-UHFFFAOYSA-N	-1	0	264.347	0.534	20	30		CCEDRM
N#Cc1cccc([C@H](NCc2nnnn2C2CC2)C(=O)[O-])c1	ZINC000833076775	601307662	/nfs/dbraw/zinc/30/76/62/601307662.db2.gz	YOLKCGRACUUUNH-ZDUSSCGKSA-N	-1	0	298.306	0.795	20	30		CCEDRM
N#Cc1cc([N+](=O)[O-])cnc1N1CCO[C@@H](CC(=O)[O-])C1	ZINC000091294830	601381371	/nfs/dbraw/zinc/38/13/71/601381371.db2.gz	SRPLGOKQKCRLFT-JTQLQIEISA-N	-1	0	292.251	0.541	20	30		CCEDRM
N#Cc1cc(S(=O)(=O)N(CC(=O)[O-])C2CC2)ccc1F	ZINC000071238551	601402685	/nfs/dbraw/zinc/40/26/85/601402685.db2.gz	ARBZLPQMECVUDG-UHFFFAOYSA-N	-1	0	298.295	0.935	20	30		CCEDRM
N#Cc1ccc([C@H](C(=O)[O-])N2CCO[C@@H](CO)C2)cc1	ZINC000833071028	601427138	/nfs/dbraw/zinc/42/71/38/601427138.db2.gz	CPGNJFUMVRBXLZ-CHWSQXEVSA-N	-1	0	276.292	0.377	20	30		CCEDRM
C[C@H](CS(=O)(=O)NCc1cccc(C#N)c1)C(=O)[O-]	ZINC000827562858	601614258	/nfs/dbraw/zinc/61/42/58/601614258.db2.gz	GQHYBDOVEPRPRQ-SECBINFHSA-N	-1	0	282.321	0.698	20	30		CCEDRM
O=C(C#Cc1ccccc1)N[C@]1(C(=O)[O-])CCOC1	ZINC000085853846	601765649	/nfs/dbraw/zinc/76/56/49/601765649.db2.gz	GJHVLZQVXQDIKE-CQSZACIVSA-N	-1	0	259.261	0.398	20	30		CCEDRM
C#CCCCCNS(=O)(=O)N(C)CCC(=O)[O-]	ZINC000229622131	602122227	/nfs/dbraw/zinc/12/22/27/602122227.db2.gz	FBSQRQPRPREHRM-UHFFFAOYSA-N	-1	0	262.331	0.031	20	30		CCEDRM
C[C@H](CC(=O)[O-])C(=O)NCC1CCN(CC#N)CC1	ZINC000827293418	602171070	/nfs/dbraw/zinc/17/10/70/602171070.db2.gz	XISNHYAILYIGGJ-SNVBAGLBSA-N	-1	0	267.329	0.449	20	30		CCEDRM
C[C@H](CC(=O)[O-])C(=O)NC[C@H]1CCCN(CC#N)C1	ZINC000827290715	602300095	/nfs/dbraw/zinc/30/00/95/602300095.db2.gz	HENOLTCJIIJHIE-GHMZBOCLSA-N	-1	0	267.329	0.449	20	30		CCEDRM
N#CCNC(=O)CNc1ccc(C(=O)[O-])c(F)c1	ZINC000833067024	602304868	/nfs/dbraw/zinc/30/48/68/602304868.db2.gz	OBLLBVAVZBPQBH-UHFFFAOYSA-N	-1	0	251.217	0.576	20	30		CCEDRM
Cn1cc(S(=O)(=O)N[C@@H](C#N)C(C)(C)C)cc1C(=O)[O-]	ZINC000833054378	602305541	/nfs/dbraw/zinc/30/55/41/602305541.db2.gz	ZZTXANSWGCFYPW-JTQLQIEISA-N	-1	0	299.352	0.940	20	30		CCEDRM
Cc1cc(C(=O)[O-])ccc1S(=O)(=O)NCC#N	ZINC000310309516	602386634	/nfs/dbraw/zinc/38/66/34/602386634.db2.gz	QDHHAQYRDFGNGV-UHFFFAOYSA-N	-1	0	254.267	0.495	20	30		CCEDRM
C[C@H](CC(=O)NC1CCN(CC#N)CC1)NC(=O)[O-]	ZINC000824621679	602882031	/nfs/dbraw/zinc/88/20/31/602882031.db2.gz	HFYVNJXLBXMZEB-SECBINFHSA-N	-1	0	268.317	0.137	20	30		CCEDRM
N#Cc1ccc(C(=O)N2CCC[C@@H]2CNC(=O)[O-])cn1	ZINC000831122821	603124054	/nfs/dbraw/zinc/12/40/54/603124054.db2.gz	SUFFUEKOAXYMNU-LLVKDONJSA-N	-1	0	274.280	0.825	20	30		CCEDRM
Cc1cccc(C(=O)N2CCN(C(=O)[O-])C[C@@H]2C#N)n1	ZINC000830464853	603590916	/nfs/dbraw/zinc/59/09/16/603590916.db2.gz	DOUAYTDEMQPIMM-JTQLQIEISA-N	-1	0	274.280	0.718	20	30		CCEDRM
Cn1cc(C#N)cc1C(=O)O[C@H]1CN(C(=O)[O-])CCC1=O	ZINC000830989985	603617027	/nfs/dbraw/zinc/61/70/27/603617027.db2.gz	WMUKDHVRDGOFEL-NSHDSACASA-N	-1	0	291.263	0.375	20	30		CCEDRM
C[C@H](CN(C)C(=O)[O-])C(=O)NC[C@@H]1CCCN(CC#N)C1	ZINC000824855206	603914867	/nfs/dbraw/zinc/91/48/67/603914867.db2.gz	PMGROJCPRJXDLJ-NEPJUHHUSA-N	-1	0	296.371	0.584	20	30		CCEDRM
N#C[C@@H]1CCC[C@@H]1NC(=O)[C@H]1CCN(C(=O)[O-])C1	ZINC000831076324	603959121	/nfs/dbraw/zinc/95/91/21/603959121.db2.gz	KAKGGZACYJUUQW-GUBZILKMSA-N	-1	0	251.286	0.795	20	30		CCEDRM
C[C@H](CC(=O)O[C@H](C)C(=O)N(C)CCC#N)NC(=O)[O-]	ZINC000824720520	603962861	/nfs/dbraw/zinc/96/28/61/603962861.db2.gz	OIQYMHRGYMIHIN-RKDXNWHRSA-N	-1	0	285.300	0.336	20	30		CCEDRM
N#C[C@H](NC(=O)[C@@]1(F)CCN(C(=O)[O-])C1)C1CC1	ZINC000831069918	604004408	/nfs/dbraw/zinc/00/44/08/604004408.db2.gz	AADSNACPERDJSS-GZMMTYOYSA-N	-1	0	255.249	0.497	20	30		CCEDRM
N#C[C@@H]1CCC[C@@H]1NC(=O)[C@@H]1CSCN1C(=O)[O-]	ZINC000831077188	604030121	/nfs/dbraw/zinc/03/01/21/604030121.db2.gz	XELHPJJWZORJNS-CIUDSAMLSA-N	-1	0	269.326	0.848	20	30		CCEDRM
N#C[C@H]1CN(C(=O)[O-])CCN1C(=O)/C=C/C1CCOCC1	ZINC000831076258	604067739	/nfs/dbraw/zinc/06/77/39/604067739.db2.gz	IUGNDFYITUVOGS-ISUDXETCSA-N	-1	0	293.323	0.684	20	30		CCEDRM
N#C[C@H]1CN(C(=O)[O-])CCN1C(=O)c1n[nH]c2ccccc21	ZINC000831092293	604069685	/nfs/dbraw/zinc/06/96/85/604069685.db2.gz	RYGOSABUEIXKFE-VIFPVBQESA-N	-1	0	299.290	0.891	20	30		CCEDRM
N#C[C@H]1CN(C(=O)[O-])CCN1C(=O)c1cc(Cl)c[nH]1	ZINC000831087733	604078597	/nfs/dbraw/zinc/07/85/97/604078597.db2.gz	QGZKDEGLQYATOX-QMMMGPOBSA-N	-1	0	282.687	0.996	20	30		CCEDRM
Cc1cc(CC(=O)N2CCN(C(=O)[O-])C[C@H]2C#N)no1	ZINC000830029721	604084881	/nfs/dbraw/zinc/08/48/81/604084881.db2.gz	IEKCGQWXIOFRLY-SNVBAGLBSA-N	-1	0	278.268	0.240	20	30		CCEDRM
Cc1cc(C(=O)N2CCN(C(=O)[O-])C[C@H]2C#N)c(C)n1C	ZINC000829930125	604086584	/nfs/dbraw/zinc/08/65/84/604086584.db2.gz	IMILYXWYHMGWHD-LLVKDONJSA-N	-1	0	290.323	0.970	20	30		CCEDRM
Cn1cc(C#N)c(NC(=O)N2CCC[C@@H]2CNC(=O)[O-])n1	ZINC000830985766	604154922	/nfs/dbraw/zinc/15/49/22/604154922.db2.gz	WDFJNLYOHZBRIO-SECBINFHSA-N	-1	0	292.299	0.556	20	30		CCEDRM
N#Cc1ncn(CC(=O)Nc2cccc(NC(=O)[O-])c2)n1	ZINC000833079020	604287382	/nfs/dbraw/zinc/28/73/82/604287382.db2.gz	RYXUVFJSKYCUEP-UHFFFAOYSA-N	-1	0	286.251	0.878	20	30		CCEDRM
Cn1cc(C#N)cc1C(=O)N1CC[C@@H](NC(=O)[O-])C1	ZINC000830985225	604309333	/nfs/dbraw/zinc/30/93/33/604309333.db2.gz	OEFLCJCDFQRYSH-SECBINFHSA-N	-1	0	262.269	0.379	20	30		CCEDRM
C[C@@H](Oc1cccc(CO)c1)C(=O)N(CC#N)CC(=O)[O-]	ZINC000833539148	604663125	/nfs/dbraw/zinc/66/31/25/604663125.db2.gz	LAFGZCHIFCYONS-SNVBAGLBSA-N	-1	0	292.291	0.383	20	30		CCEDRM
C[C@H](NC(=O)[O-])[C@@H]1CN(C(=O)C2(C#N)CCC2)CCO1	ZINC000825292871	604736198	/nfs/dbraw/zinc/73/61/98/604736198.db2.gz	CTYUQPJJUBYKDI-UWVGGRQHSA-N	-1	0	281.312	0.564	20	30		CCEDRM
Cn1cc(C#N)c(NC(=O)N2CC[C@H](NC(=O)[O-])C2)n1	ZINC000830985401	605088739	/nfs/dbraw/zinc/08/87/39/605088739.db2.gz	OZDKHVJMYUMOFF-QMMMGPOBSA-N	-1	0	278.272	0.166	20	30		CCEDRM
CS(=O)(=O)c1cccc(Cl)c1C=NNCC(=O)[O-]	ZINC000814960152	617189670	/nfs/dbraw/zinc/18/96/70/617189670.db2.gz	LVEJMLFDMJERSP-UHFFFAOYSA-N	-1	0	290.728	0.752	20	30		CCEDRM
N#CC1(C(=O)O[C@@H]2CN(C(=O)[O-])CCC2=O)CCOCC1	ZINC000831070506	605199603	/nfs/dbraw/zinc/19/96/03/605199603.db2.gz	MFVUOIRYZGRPRI-SNVBAGLBSA-N	-1	0	296.279	0.171	20	30		CCEDRM
N#CCCN(CCC#N)S(=O)(=O)c1cc(C(=O)[O-])co1	ZINC000710671506	605204171	/nfs/dbraw/zinc/20/41/71/605204171.db2.gz	VYNAHKMYIJWZFQ-UHFFFAOYSA-N	-1	0	297.292	0.796	20	30		CCEDRM
N#CCN1CCC(OC(=O)[C@H]2CC[C@H](NC(=O)[O-])C2)CC1	ZINC000831102244	605269684	/nfs/dbraw/zinc/26/96/84/605269684.db2.gz	DBBBVJQYCPQWAV-QWRGUYRKSA-N	-1	0	295.339	0.954	20	30		CCEDRM
N#CCN1CCC(OC(=O)[C@]2(F)CCN(C(=O)[O-])C2)CC1	ZINC000831102514	605269701	/nfs/dbraw/zinc/26/97/01/605269701.db2.gz	LZGFPEQOJBPCJR-ZDUSSCGKSA-N	-1	0	299.302	0.610	20	30		CCEDRM
N#Cc1ccc(NCC(=O)N2CCCN2C(=O)[O-])nc1	ZINC000833976344	605318930	/nfs/dbraw/zinc/31/89/30/605318930.db2.gz	TXXJSHHTWAARCH-UHFFFAOYSA-N	-1	0	275.268	0.492	20	30		CCEDRM
C[C@@H](C#N)CNC(=O)CO[C@@H]1CCCN(C(=O)[O-])C1	ZINC000823646861	605369609	/nfs/dbraw/zinc/36/96/09/605369609.db2.gz	HGVNGZYRLXXLMV-VHSXEESVSA-N	-1	0	269.301	0.421	20	30		CCEDRM
N#Cc1ccc(N2CCC(CNC(=O)[O-])CC2)nn1	ZINC000833973117	605407131	/nfs/dbraw/zinc/40/71/31/605407131.db2.gz	GYNVCKPANHOOBL-UHFFFAOYSA-N	-1	0	261.285	0.832	20	30		CCEDRM
N#CCCNC(=O)COC(=O)CC[C@@H]1CCN(C(=O)[O-])C1	ZINC000833965975	605429740	/nfs/dbraw/zinc/42/97/40/605429740.db2.gz	XDWYWUPAHBJQJU-SNVBAGLBSA-N	-1	0	297.311	0.340	20	30		CCEDRM
N#CCOc1cccc(CC(=O)NC2CN(C(=O)[O-])C2)c1	ZINC000833968269	605588553	/nfs/dbraw/zinc/58/85/53/605588553.db2.gz	YZEIPEGFXNOGFU-UHFFFAOYSA-N	-1	0	289.291	0.610	20	30		CCEDRM
C[C@H](C#N)NC(=O)C[C@H]1CSCCN1C(=O)[O-]	ZINC000823647417	605636435	/nfs/dbraw/zinc/63/64/35/605636435.db2.gz	KZMSNSNYFQPYRQ-SFYZADRCSA-N	-1	0	257.315	0.500	20	30		CCEDRM
C[C@H](C#N)OC(=O)C[C@H]1CSCCN1C(=O)[O-]	ZINC000823648456	605824905	/nfs/dbraw/zinc/82/49/05/605824905.db2.gz	SQFMKGXWGGZCMV-SFYZADRCSA-N	-1	0	258.299	0.927	20	30		CCEDRM
N#Cc1ccc(C(=O)NC[C@@H](NC(=O)[O-])C2CC2)cn1	ZINC000833973365	605860584	/nfs/dbraw/zinc/86/05/84/605860584.db2.gz	OCHFTYKUXQTKSF-LLVKDONJSA-N	-1	0	274.280	0.729	20	30		CCEDRM
N#C[C@@H]1CN(C(=O)[C@H]2CC23CCN(C(=O)[O-])CC3)CCO1	ZINC000833968508	605919757	/nfs/dbraw/zinc/91/97/57/605919757.db2.gz	VYBSTNRNQHOWGT-GHMZBOCLSA-N	-1	0	293.323	0.517	20	30		CCEDRM
N#CCC1CCN(C(=O)[C@H]2COCCN2C(=O)[O-])CC1	ZINC000833968055	605932578	/nfs/dbraw/zinc/93/25/78/605932578.db2.gz	JOIRGNABIUBZIB-LLVKDONJSA-N	-1	0	281.312	0.517	20	30		CCEDRM
N#CCN1CCC[C@H](CNC(=O)CCCCNC(=O)[O-])C1	ZINC000833967572	605937584	/nfs/dbraw/zinc/93/75/84/605937584.db2.gz	SBJRSHCRDOORHO-GFCCVEGCSA-N	-1	0	296.371	0.776	20	30		CCEDRM
N#CCCCOC(=O)C1(CNC(=O)[O-])CCOCC1	ZINC000833965165	605951599	/nfs/dbraw/zinc/95/15/99/605951599.db2.gz	CAMPJIIAAWRBAG-UHFFFAOYSA-N	-1	0	270.285	0.898	20	30		CCEDRM
O=C([O-])Nc1ncccc1C=NN1CCOCC1	ZINC000834279486	605954817	/nfs/dbraw/zinc/95/48/17/605954817.db2.gz	JHQZJZOCZXIYFX-UHFFFAOYSA-N	-1	0	250.258	0.838	20	30		CCEDRM
O=C([O-])Nc1ncccc1C=NN1CC(=O)NC1=O	ZINC000834280465	605955798	/nfs/dbraw/zinc/95/57/98/605955798.db2.gz	PWUZQDYVOJVJIR-UHFFFAOYSA-N	-1	0	263.213	0.057	20	30		CCEDRM
N#C[C@@H]1CSCCN1C(=O)[C@@H]1CCN(C(=O)[O-])C1	ZINC000833966127	605972844	/nfs/dbraw/zinc/97/28/44/605972844.db2.gz	HSJNOLXAABAOPC-RKDXNWHRSA-N	-1	0	269.326	0.454	20	30		CCEDRM
N#C[C@@H]1CCC[C@H]1NC(=O)CN(C(=O)[O-])C1CC1	ZINC000833964058	605985286	/nfs/dbraw/zinc/98/52/86/605985286.db2.gz	YQXUEQFHGJYZSR-WCBMZHEXSA-N	-1	0	251.286	0.937	20	30		CCEDRM
N#CCN(CC#N)C(=O)c1cnc(NC(=O)[O-])cn1	ZINC000833966155	606024756	/nfs/dbraw/zinc/02/47/56/606024756.db2.gz	AFPVZZVVWRPESR-UHFFFAOYSA-N	-1	0	260.213	0.056	20	30		CCEDRM
C#CCCS(=O)(=O)[N-]C(=O)C(C)(C)CCOC	ZINC000810785697	613052498	/nfs/dbraw/zinc/05/24/98/613052498.db2.gz	ODSWVEXDCNUGGZ-UHFFFAOYSA-N	-1	0	261.343	0.518	20	30		CCEDRM
C#CCCS(=O)(=O)[N-]C(=O)CC1(OC)CCC1	ZINC000810782060	613052767	/nfs/dbraw/zinc/05/27/67/613052767.db2.gz	KAGRBOMHNWLYBJ-UHFFFAOYSA-N	-1	0	259.327	0.415	20	30		CCEDRM
C#CCCS(=O)(=O)[N-]C(=O)[C@@H](C)OCCCC	ZINC000810782723	613052904	/nfs/dbraw/zinc/05/29/04/613052904.db2.gz	TXNJMUGFALLPLY-SNVBAGLBSA-N	-1	0	261.343	0.661	20	30		CCEDRM
C#CCCS(=O)(=O)[N-]C(=O)Cc1ccccc1[N+](=O)[O-]	ZINC000810786831	613052915	/nfs/dbraw/zinc/05/29/15/613052915.db2.gz	YXKOPBAVFGNYKU-UHFFFAOYSA-N	-1	0	296.304	0.607	20	30		CCEDRM
C#CCCS(=O)(=O)[N-]C(=O)CC[C@H](C)SC	ZINC000810782297	613052674	/nfs/dbraw/zinc/05/26/74/613052674.db2.gz	LFYDUHABTONPQF-VIFPVBQESA-N	-1	0	263.384	0.987	20	30		CCEDRM
C#CCCS(=O)(=O)[N-]C(=O)[C@H](C)C(=O)OC(C)(C)C	ZINC000842348372	613053149	/nfs/dbraw/zinc/05/31/49/613053149.db2.gz	WERKADUEWZASFI-VIFPVBQESA-N	-1	0	289.353	0.434	20	30		CCEDRM
C#C[C@@H](C)NC(=O)N1CCC[C@@H](c2n[nH]c(=O)[n-]2)C1	ZINC000923218665	613080358	/nfs/dbraw/zinc/08/03/58/613080358.db2.gz	WONWVUHJVHCZQR-RKDXNWHRSA-N	-1	0	263.301	0.421	20	30		CCEDRM
C#C[C@@](C)(CC)NC(=O)c1ccc([N-]S(C)(=O)=O)nc1	ZINC000861858725	613112919	/nfs/dbraw/zinc/11/29/19/613112919.db2.gz	XNQNYOWQOPKUPC-ZDUSSCGKSA-N	-1	0	295.364	0.985	20	30		CCEDRM
C=CC(C)(C)CC(=O)[N-]S(=O)(=O)[C@@H]1CCOC1	ZINC000892692860	613446075	/nfs/dbraw/zinc/44/60/75/613446075.db2.gz	YYRCTVWWLXJVAB-SECBINFHSA-N	-1	0	261.343	0.824	20	30		CCEDRM
COc1cc(O)c(C=NNCC(=O)[O-])cc1OC	ZINC000814958572	617207380	/nfs/dbraw/zinc/20/73/80/617207380.db2.gz	CGJKJKRZQNIJNQ-UHFFFAOYSA-N	-1	0	254.242	0.418	20	30		CCEDRM
C#CCC(C)(C)C(=O)[N-]S(=O)(=O)c1ccnn1C	ZINC000810678151	612965958	/nfs/dbraw/zinc/96/59/58/612965958.db2.gz	YAESBBVIEOGPTQ-UHFFFAOYSA-N	-1	0	269.326	0.275	20	30		CCEDRM
C=CCOC[C@H](NC(=O)N[C@@H]1CCSC1)C(=O)[O-]	ZINC000908962510	613882402	/nfs/dbraw/zinc/88/24/02/613882402.db2.gz	GAFZLCZYLUBXSX-BDAKNGLRSA-N	-1	0	274.342	0.447	20	30		CCEDRM
CC(C)(CC(=O)[O-])NC(=O)[C@H](O)c1ccc(C#N)cc1	ZINC000833455896	614079444	/nfs/dbraw/zinc/07/94/44/614079444.db2.gz	DTWVFKFTASLAHA-GFCCVEGCSA-N	-1	0	276.292	0.961	20	30		CCEDRM
CSC[C@H](C)C(=O)N1CCN(C(=O)[O-])C[C@H]1C#N	ZINC000829716639	617253331	/nfs/dbraw/zinc/25/33/31/617253331.db2.gz	LSCAICGFOOWEQX-DTWKUNHWSA-N	-1	0	271.342	0.700	20	30		CCEDRM
C#CC1(O)CN(S(=O)(=O)c2cc(C(=O)[O-])ccc2C)C1	ZINC000907125997	612961837	/nfs/dbraw/zinc/96/18/37/612961837.db2.gz	AHCKXTDGEFZOAK-UHFFFAOYSA-N	-1	0	295.316	0.062	20	30		CCEDRM
C#CCC1(O)CCN(C(=O)c2n[nH]c(C)c2[O-])CC1	ZINC000882525849	612972936	/nfs/dbraw/zinc/97/29/36/612972936.db2.gz	PYANVBCJWQIZBN-UHFFFAOYSA-N	-1	0	263.297	0.414	20	30		CCEDRM
C#CCCCCNC(=O)C(=O)N[C@H]1CC[C@@H](C(=O)[O-])C1	ZINC000843256847	612977199	/nfs/dbraw/zinc/97/71/99/612977199.db2.gz	ICIFJFBWPWZJBP-MNOVXSKESA-N	-1	0	280.324	0.276	20	30		CCEDRM
C#CCCCCNC(=O)N[C@H](C(=O)[O-])[C@H]1CCCOC1	ZINC000797723195	612978081	/nfs/dbraw/zinc/97/80/81/612978081.db2.gz	BFNHHAHYKVOIDZ-RYUDHWBXSA-N	-1	0	282.340	0.969	20	30		CCEDRM
C#CCCCNC(=O)C(=O)Nc1ccccc1C(=O)[O-]	ZINC000819701018	612981020	/nfs/dbraw/zinc/98/10/20/612981020.db2.gz	XEMBIASBKHIUBD-UHFFFAOYSA-N	-1	0	274.276	0.853	20	30		CCEDRM
C#CCOCCC(=O)Nc1cc(C)[nH]c1C(=O)[O-]	ZINC000833363845	612981181	/nfs/dbraw/zinc/98/11/81/612981181.db2.gz	CBBOOCQZYUFLGX-UHFFFAOYSA-N	-1	0	250.254	1.000	20	30		CCEDRM
C#CCOCCC(=O)O[C@H](C)c1cn(CC(=O)[O-])nn1	ZINC000833364665	612981846	/nfs/dbraw/zinc/98/18/46/612981846.db2.gz	WJJWODKULHEJGV-SECBINFHSA-N	-1	0	281.268	0.007	20	30		CCEDRM
C#CCOCCNC(=O)C(=O)Nc1ccccc1C(=O)[O-]	ZINC000819706173	612985336	/nfs/dbraw/zinc/98/53/36/612985336.db2.gz	QAGQYVSBQKDCCR-UHFFFAOYSA-N	-1	0	290.275	0.089	20	30		CCEDRM
C#CCO[N-]C(=O)CSCC(=O)OC(C)(C)C	ZINC000812782341	612992184	/nfs/dbraw/zinc/99/21/84/612992184.db2.gz	RCWZEFGPNZGOAP-UHFFFAOYSA-N	-1	0	259.327	0.742	20	30		CCEDRM
C#CCO[N-]C(=O)CSc1nnnn1C1CCCC1	ZINC000812781292	612992199	/nfs/dbraw/zinc/99/21/99/612992199.db2.gz	OOPSSMGFQUAOPX-UHFFFAOYSA-N	-1	0	281.341	0.561	20	30		CCEDRM
C#CCO[C@@H](C)C(=O)N[C@@H](c1nc(=O)o[n-]1)C(C)(C)C	ZINC000911586277	612997056	/nfs/dbraw/zinc/99/70/56/612997056.db2.gz	AIKJGYLBWQWXNN-IUCAKERBSA-N	-1	0	281.312	0.605	20	30		CCEDRM
C#CCO[C@@H](C)C(=O)Nc1cnn(C(C)(C)C(=O)[O-])c1	ZINC000909596050	612997884	/nfs/dbraw/zinc/99/78/84/612997884.db2.gz	GOQQHEOPXMJYGR-VIFPVBQESA-N	-1	0	279.296	0.680	20	30		CCEDRM
C#CCO[C@H](C)C(=O)N1CCC[C@@H](c2n[nH]c(=O)[n-]2)C1	ZINC000843876878	612999382	/nfs/dbraw/zinc/99/93/82/612999382.db2.gz	ASCMJCBHOFEXDP-NXEZZACHSA-N	-1	0	278.312	0.255	20	30		CCEDRM
C#CCO[C@H](C)C(=O)N[C@H](C(=O)[O-])C1CCOCC1	ZINC000910018721	613003069	/nfs/dbraw/zinc/00/30/69/613003069.db2.gz	UHQNXKIIGAYEBW-KOLCDFICSA-N	-1	0	269.297	0.021	20	30		CCEDRM
C#CCO[C@H](C)C(=O)Nc1cccc(Cc2nn[nH]n2)c1	ZINC000910046802	613003633	/nfs/dbraw/zinc/00/36/33/613003633.db2.gz	JQSTXVSNQNPYJY-SNVBAGLBSA-N	-1	0	285.307	0.767	20	30		CCEDRM
C#CCOc1ccccc1OCC(=O)NCC(=O)[O-]	ZINC000819706281	613008454	/nfs/dbraw/zinc/00/84/54/613008454.db2.gz	SXTGOZZFVKRUJF-UHFFFAOYSA-N	-1	0	263.249	0.278	20	30		CCEDRM
C#CC[C@@H](CO)NC(=O)c1ccc(OCC(=O)[O-])cc1	ZINC000911395116	613029097	/nfs/dbraw/zinc/02/90/97/613029097.db2.gz	LLYIQMPBBYTVHD-NSHDSACASA-N	-1	0	277.276	0.264	20	30		CCEDRM
C#CC[C@@H](NC(=O)C[C@@H]1CCCC[C@H]1O)C(=O)[O-]	ZINC000910050873	613040070	/nfs/dbraw/zinc/04/00/70/613040070.db2.gz	PEDCQFKXIJGNFP-HBNTYKKESA-N	-1	0	253.298	0.520	20	30		CCEDRM
C#CC[C@@H](NC(=O)Nc1cc(C)nn1C)C(=O)[O-]	ZINC000908625438	613040554	/nfs/dbraw/zinc/04/05/54/613040554.db2.gz	MBANEGQAEIOJPK-MRVPVSSYSA-N	-1	0	250.258	0.327	20	30		CCEDRM
C#CC[C@@H](NC(=O)c1cn(CC)nc1C1CC1)C(=O)[O-]	ZINC000910048578	613042230	/nfs/dbraw/zinc/04/22/30/613042230.db2.gz	MUBDEEGLCLTAAN-LLVKDONJSA-N	-1	0	275.308	0.987	20	30		CCEDRM
C#CC[C@@H](NC(=O)c1cncc(COC)c1)C(=O)[O-]	ZINC000910046372	613042248	/nfs/dbraw/zinc/04/22/48/613042248.db2.gz	NLRCDUISDSNILB-LLVKDONJSA-N	-1	0	262.265	0.434	20	30		CCEDRM
C#CC[C@@H](NC(=O)c1cn(C)nc1C(F)(F)F)C(=O)[O-]	ZINC000910053016	613042250	/nfs/dbraw/zinc/04/22/50/613042250.db2.gz	MPPXCEAZPWMPJJ-SSDOTTSWSA-N	-1	0	289.213	0.645	20	30		CCEDRM
C#CC[C@@H]1CCN(C(=O)CCCn2c(=O)[n-][nH]c2=O)C1	ZINC000912985423	613045327	/nfs/dbraw/zinc/04/53/27/613045327.db2.gz	DVKRMUVYKCOFKL-SNVBAGLBSA-N	-1	0	278.312	0.341	20	30		CCEDRM
C#CC[C@H](CO)NC(=O)C12CCC(C(=O)[O-])(CC1)CC2	ZINC000911395465	613053275	/nfs/dbraw/zinc/05/32/75/613053275.db2.gz	QESXGIOCDFJREP-VCANKDNSSA-N	-1	0	279.336	0.912	20	30		CCEDRM
C#CCCS(=O)(=O)[N-]C(=O)c1ccc([N+](=O)[O-])[nH]1	ZINC000810782179	613053581	/nfs/dbraw/zinc/05/35/81/613053581.db2.gz	LMUAUKVMTARHQT-UHFFFAOYSA-N	-1	0	271.254	0.006	20	30		CCEDRM
C#CCCS(=O)(=O)[N-]C(=O)c1conc1C(C)C	ZINC000860721879	613053859	/nfs/dbraw/zinc/05/38/59/613053859.db2.gz	NEUBLALAFGUZDK-UHFFFAOYSA-N	-1	0	270.310	0.881	20	30		CCEDRM
C#CCCS(=O)(=O)[N-]C(=O)c1coc(C2CC2)n1	ZINC000810783055	613053882	/nfs/dbraw/zinc/05/38/82/613053882.db2.gz	CSHOJOYLMSEKNF-UHFFFAOYSA-N	-1	0	268.294	0.635	20	30		CCEDRM
C#CC[C@H](CO)NC(=O)[C@@]1(C(=O)[O-])C[C@@H]1c1ccccc1	ZINC000907821443	613056978	/nfs/dbraw/zinc/05/69/78/613056978.db2.gz	JWMHEXIEVGCOQL-XJKCOSOUSA-N	-1	0	287.315	0.745	20	30		CCEDRM
C#CC[C@H](CO)NC(=O)c1cc(=O)n(-c2ccc(C)cc2)[n-]1	ZINC000820060083	613057272	/nfs/dbraw/zinc/05/72/72/613057272.db2.gz	TVWMKZHXYDCHHI-GFCCVEGCSA-N	-1	0	299.330	0.588	20	30		CCEDRM
C#CC[C@H](NC(=O)C1(COC)CCOCC1)C(=O)[O-]	ZINC000910051434	613067428	/nfs/dbraw/zinc/06/74/28/613067428.db2.gz	VFVSGLVZHNCKEY-JTQLQIEISA-N	-1	0	269.297	0.022	20	30		CCEDRM
C#CC[C@H](NC(=O)CCc1ccc(OC)nc1)C(=O)[O-]	ZINC000923090033	613067694	/nfs/dbraw/zinc/06/76/94/613067694.db2.gz	OXPIRANHUXFTMK-NSHDSACASA-N	-1	0	276.292	0.616	20	30		CCEDRM
C#CC[C@H](NC(=O)Cc1ccc(CC)cn1)C(=O)[O-]	ZINC000910051684	613068035	/nfs/dbraw/zinc/06/80/35/613068035.db2.gz	YLKHJXKCWSKHFX-LBPRGKRZSA-N	-1	0	260.293	0.779	20	30		CCEDRM
C#CC[C@H](NC(=O)C[C@@H]1CSCCS1)C(=O)[O-]	ZINC000910046454	613068077	/nfs/dbraw/zinc/06/80/77/613068077.db2.gz	PYTNCMQTAKVPFO-BDAKNGLRSA-N	-1	0	273.379	0.818	20	30		CCEDRM
C#CC[C@H](NC(=O)Cn1c(C)nc2ccccc21)C(=O)[O-]	ZINC000910049042	613068231	/nfs/dbraw/zinc/06/82/31/613068231.db2.gz	RQGPAXDPZNGYNA-LBPRGKRZSA-N	-1	0	285.303	0.937	20	30		CCEDRM
C#CCn1cc(CNC(=O)[C@H]2CC[C@H]2C(=O)[O-])cn1	ZINC000911715876	613077483	/nfs/dbraw/zinc/07/74/83/613077483.db2.gz	DMBZFLCZMDCIFB-WDEREUQCSA-N	-1	0	261.281	0.243	20	30		CCEDRM
C#C[C@@H](CCC)NC(=O)[C@@H]1C[C@H](C)[C@@H](C(=O)[O-])O1	ZINC000911612125	613085778	/nfs/dbraw/zinc/08/57/78/613085778.db2.gz	RNOOUGOCGDZPEY-NAKRPEOUSA-N	-1	0	253.298	0.783	20	30		CCEDRM
C#C[C@@H](CO)NC(=O)CCc1ccc(C(=O)[O-])cc1	ZINC000911610641	613086385	/nfs/dbraw/zinc/08/63/85/613086385.db2.gz	AVXXCRXQMGBVIH-LBPRGKRZSA-N	-1	0	261.277	0.428	20	30		CCEDRM
C#C[C@@H](NC(=O)C1(C(=O)[O-])CCC1)C1CCOCC1	ZINC000911794117	613091374	/nfs/dbraw/zinc/09/13/74/613091374.db2.gz	XWMKNWMTVJQQPF-LLVKDONJSA-N	-1	0	265.309	0.786	20	30		CCEDRM
C#C[C@@H](NC(=O)[C@H](C(=O)[O-])C(C)C)C1CCOCC1	ZINC000911791768	613098289	/nfs/dbraw/zinc/09/82/89/613098289.db2.gz	OMDCXGNYNOOSBK-VXGBXAGGSA-N	-1	0	267.325	0.888	20	30		CCEDRM
C#CCN(CC#C)CC(=O)Nc1cccc(C(=O)[O-])c1	ZINC000825608587	613098990	/nfs/dbraw/zinc/09/89/90/613098990.db2.gz	DMHZJZSJEVTDLR-UHFFFAOYSA-N	-1	0	270.288	0.892	20	30		CCEDRM
C#C[C@@H](NC(=O)c1ccc(C(=O)[O-])c(C)n1)[C@H]1CCCO1	ZINC000911579790	613099035	/nfs/dbraw/zinc/09/90/35/613099035.db2.gz	PUFYHLLUASLCNQ-DGCLKSJQSA-N	-1	0	288.303	0.999	20	30		CCEDRM
C#C[C@@H](NC(=O)c1[nH]nc(C)c1[O-])C1CCOCC1	ZINC000856107634	613099484	/nfs/dbraw/zinc/09/94/84/613099484.db2.gz	REJMLPABYZUCTC-SNVBAGLBSA-N	-1	0	263.297	0.582	20	30		CCEDRM
C#C[C@H](NC(=O)CCSCC(=O)[O-])[C@@H]1CCCO1	ZINC000911578276	613133008	/nfs/dbraw/zinc/13/30/08/613133008.db2.gz	IAKHUXAWJXOWAX-UWVGGRQHSA-N	-1	0	271.338	0.491	20	30		CCEDRM
C#C[C@H](NC(=O)NC[C@H](C(=O)[O-])C(C)C)[C@@H]1CCCO1	ZINC000848583292	613140891	/nfs/dbraw/zinc/14/08/91/613140891.db2.gz	WLURTWVYTQEQEB-SRVKXCTJSA-N	-1	0	282.340	0.823	20	30		CCEDRM
C#C[C@H]1COCCN1C(=O)NCCCCC(=O)[O-]	ZINC000840992903	613160589	/nfs/dbraw/zinc/16/05/89/613160589.db2.gz	VGZGNCJFYGXFRW-JTQLQIEISA-N	-1	0	254.286	0.285	20	30		CCEDRM
C#C[C@](C)(CC)NC(=O)CSc1n[nH]c(=O)[n-]1	ZINC000854701496	613163725	/nfs/dbraw/zinc/16/37/25/613163725.db2.gz	BYRGFNDDONZMMJ-SNVBAGLBSA-N	-1	0	254.315	0.521	20	30		CCEDRM
C#Cc1ccc(C(=O)N2CCC([C@@H](O)C(=O)[O-])CC2)nc1	ZINC000833367926	613168137	/nfs/dbraw/zinc/16/81/37/613168137.db2.gz	BICDKTBSDVCYMS-CYBMUJFWSA-N	-1	0	288.303	0.361	20	30		CCEDRM
C#Cc1ccc(C(=O)N[C@@H](Cc2c[nH]cn2)C(=O)[O-])cn1	ZINC000833368844	613183669	/nfs/dbraw/zinc/18/36/69/613183669.db2.gz	VSMXQFIWYVRJRU-LBPRGKRZSA-N	-1	0	284.275	0.212	20	30		CCEDRM
C#Cc1ccc(C(=O)N[C@H](CC(F)F)C(=O)[O-])cn1	ZINC000833368361	613188420	/nfs/dbraw/zinc/18/84/20/613188420.db2.gz	NLMPBPIAIPCZGU-SECBINFHSA-N	-1	0	268.219	0.901	20	30		CCEDRM
C#Cc1cccc(CNC(=O)C(=O)NC[C@@H](C)C(=O)[O-])c1	ZINC000848611637	613199153	/nfs/dbraw/zinc/19/91/53/613199153.db2.gz	QVYNMKWNRJLBEJ-SNVBAGLBSA-N	-1	0	288.303	0.121	20	30		CCEDRM
C#CCN1CCN(S(=O)(=O)c2cc([O-])cc(F)c2)CC1	ZINC000867023164	613209899	/nfs/dbraw/zinc/20/98/99/613209899.db2.gz	OSMAYJYYAYMSFG-UHFFFAOYSA-N	-1	0	298.339	0.471	20	30		CCEDRM
C=C(C)C(C)(C)C(=O)[N-]S(=O)(=O)C(COC)COC	ZINC000851504277	613244590	/nfs/dbraw/zinc/24/45/90/613244590.db2.gz	SSYOJXRRAZLBCS-UHFFFAOYSA-N	-1	0	293.385	0.696	20	30		CCEDRM
C#CCNC(=O)C1CCN(c2ncccc2C(=O)[O-])CC1	ZINC000843034717	613323440	/nfs/dbraw/zinc/32/34/40/613323440.db2.gz	CHKZZILJDCFVFJ-UHFFFAOYSA-N	-1	0	287.319	0.746	20	30		CCEDRM
C#CCNC(=O)C1CCN(c2ccc(C(=O)[O-])cn2)CC1	ZINC000843036246	613323502	/nfs/dbraw/zinc/32/35/02/613323502.db2.gz	NYBOFELSBKVFAH-UHFFFAOYSA-N	-1	0	287.319	0.746	20	30		CCEDRM
C#CCNC(=O)CON=C(N)c1cccc(NC(=O)[O-])c1	ZINC000823455546	613333236	/nfs/dbraw/zinc/33/32/36/613333236.db2.gz	DRMWFWOGWHWGLY-UHFFFAOYSA-N	-1	0	290.279	0.372	20	30		CCEDRM
C=C(C)COCCNC(=O)N1CC[C@H](CNC(=O)[O-])C1	ZINC000823480445	613351932	/nfs/dbraw/zinc/35/19/32/613351932.db2.gz	CKIWZDRGJOANCM-LLVKDONJSA-N	-1	0	285.344	0.878	20	30		CCEDRM
C=C(C)COCCNC(=O)[C@](C)(C#N)CC(=O)[O-]	ZINC000819706215	613352183	/nfs/dbraw/zinc/35/21/83/613352183.db2.gz	RCFOSADQILEHOX-LBPRGKRZSA-N	-1	0	254.286	0.700	20	30		CCEDRM
C=C(C)CO[N-]C(=O)C(=O)Nc1cc(C)c(C)nn1	ZINC000846147923	613352418	/nfs/dbraw/zinc/35/24/18/613352418.db2.gz	YCKRFUZGUZKKGX-UHFFFAOYSA-N	-1	0	264.285	0.656	20	30		CCEDRM
C=C(C)C[C@@H](NC(C)=O)C(=O)[N-]O[C@@H](CO)C(C)C	ZINC000854827459	613356399	/nfs/dbraw/zinc/35/63/99/613356399.db2.gz	MARSWBODNDVQQH-NEPJUHHUSA-N	-1	0	272.345	0.522	20	30		CCEDRM
C=C(C)C[C@H](NC(=O)CCc1cncn1C)C(=O)[O-]	ZINC000910292568	613358739	/nfs/dbraw/zinc/35/87/39/613358739.db2.gz	RKULKVOPENGXAE-NSHDSACASA-N	-1	0	265.313	0.888	20	30		CCEDRM
C=C(C)C[C@H](NC(=O)c1csc(=O)[nH]1)C(=O)[O-]	ZINC000910292210	613359148	/nfs/dbraw/zinc/35/91/48/613359148.db2.gz	NGTWNJRZZWVQOM-LURJTMIESA-N	-1	0	256.283	0.998	20	30		CCEDRM
C=C(C)C[C@H](NC(C)=O)C(=O)[N-]OCC(C)(C)O	ZINC000834628251	613359422	/nfs/dbraw/zinc/35/94/22/613359422.db2.gz	DDCLJWBCAVEZOT-JTQLQIEISA-N	-1	0	258.318	0.276	20	30		CCEDRM
C=C(C)[C@@H](CC(=O)N[C@@H](COC)C(=O)[O-])OCC	ZINC000833366793	613360223	/nfs/dbraw/zinc/36/02/23/613360223.db2.gz	DFWPCDOGGLCKGW-VHSXEESVSA-N	-1	0	259.302	0.574	20	30		CCEDRM
C=C(Cl)CNC(=O)C[C@@H]1CN(C(=O)[O-])CCO1	ZINC000823485502	613383544	/nfs/dbraw/zinc/38/35/44/613383544.db2.gz	GLJIHSYNRSNTPH-MRVPVSSYSA-N	-1	0	262.693	0.624	20	30		CCEDRM
C=C(Cl)C[C@@H](NC(=O)CCOCCOC)C(=O)[O-]	ZINC000864185026	613388441	/nfs/dbraw/zinc/38/84/41/613388441.db2.gz	VFNFUIDDDZIEBU-SECBINFHSA-N	-1	0	279.720	0.752	20	30		CCEDRM
C=C(Cl)C[C@@H](NC(=O)C1CCN(OC)CC1)C(=O)[O-]	ZINC000910270940	613388486	/nfs/dbraw/zinc/38/84/86/613388486.db2.gz	LMZASYXCZZIEPH-SNVBAGLBSA-N	-1	0	290.747	0.972	20	30		CCEDRM
C=C(Cl)C[C@@H](NS(=O)(=O)C[C@H]1CCOC1)C(=O)[O-]	ZINC000863420164	613388738	/nfs/dbraw/zinc/38/87/38/613388738.db2.gz	KRBLTBZDYIJCIQ-DTWKUNHWSA-N	-1	0	297.760	0.538	20	30		CCEDRM
C=C(Cl)C[C@@H](NC(=O)c1csc(CO)n1)C(=O)[O-]	ZINC000910272303	613388751	/nfs/dbraw/zinc/38/87/51/613388751.db2.gz	UIVARCHMIQDOOT-ZCFIWIBFSA-N	-1	0	290.728	0.961	20	30		CCEDRM
C=C(Cl)C[C@H](NC(=O)NCCOCC)C(=O)[O-]	ZINC000864523030	613390690	/nfs/dbraw/zinc/39/06/90/613390690.db2.gz	NHXFXCZGFOWRSC-QMMMGPOBSA-N	-1	0	264.709	0.918	20	30		CCEDRM
C=C(Cl)C[C@H](NC(=O)c1cnn(C)n1)C(=O)[O-]	ZINC000910268169	613390846	/nfs/dbraw/zinc/39/08/46/613390846.db2.gz	WTQJYVJROAELRU-LURJTMIESA-N	-1	0	258.665	0.141	20	30		CCEDRM
C=CC[C@@H](CO)CNC(=O)c1cccc(-c2nn[nH]n2)c1	ZINC000823888480	613402412	/nfs/dbraw/zinc/40/24/12/613402412.db2.gz	NMUSQRLUHQUSNF-SNVBAGLBSA-N	-1	0	287.323	0.781	20	30		CCEDRM
C=CC[C@@H](CO)CNC(=O)c1ccnc(C(=O)[O-])c1	ZINC000833371877	613402466	/nfs/dbraw/zinc/40/24/66/613402466.db2.gz	YYHAGMSJDTZWDG-SECBINFHSA-N	-1	0	264.281	0.694	20	30		CCEDRM
C=C1CCN(C(=O)CCCn2c(=O)[n-][nH]c2=O)CC1	ZINC000906581807	613413829	/nfs/dbraw/zinc/41/38/29/613413829.db2.gz	ZZMZBVKVAVKUFN-UHFFFAOYSA-N	-1	0	266.301	0.648	20	30		CCEDRM
C=CC[C@H]1CCN(C(=O)CCCn2c(=O)[n-][nH]c2=O)C1	ZINC000912983359	613421632	/nfs/dbraw/zinc/42/16/32/613421632.db2.gz	YZZFINDQNGNZEZ-JTQLQIEISA-N	-1	0	280.328	0.894	20	30		CCEDRM
C=CCn1nnn(CN2CCO[C@H](CC(=O)[O-])C2)c1=S	ZINC000825711089	613439457	/nfs/dbraw/zinc/43/94/57/613439457.db2.gz	NZJKQFWWUDAHOV-SECBINFHSA-N	-1	0	299.356	0.128	20	30		CCEDRM
C=C[C@@H](C)O[N-]C(=O)C(=O)Nc1c(C)noc1C	ZINC000846153215	613443209	/nfs/dbraw/zinc/44/32/09/613443209.db2.gz	FYKRIOQJBURQAN-ZCFIWIBFSA-N	-1	0	253.258	0.852	20	30		CCEDRM
C=C[C@@H](C)O[N-]C(=O)C(=O)Nc1cc(C)nc(C)n1	ZINC000873934005	613443215	/nfs/dbraw/zinc/44/32/15/613443215.db2.gz	DUKGAEXOOHHNSH-MRVPVSSYSA-N	-1	0	264.285	0.654	20	30		CCEDRM
C=C[C@@H](C)O[N-]C(=O)C(=O)Nc1ccn(CC)n1	ZINC000850476825	613443228	/nfs/dbraw/zinc/44/32/28/613443228.db2.gz	QNBQBORGHTZWJK-MRVPVSSYSA-N	-1	0	252.274	0.464	20	30		CCEDRM
C=C[C@@H](C)O[N-]C(=O)CN1CCC[C@@H](C(=O)OC)C1=O	ZINC000824033237	613443696	/nfs/dbraw/zinc/44/36/96/613443696.db2.gz	GGHPOHNFOLGALR-NXEZZACHSA-N	-1	0	284.312	0.020	20	30		CCEDRM
C=CC(C)(C)C(=O)[N-]S(=O)(=O)CC(=O)OCC	ZINC000838845245	613444156	/nfs/dbraw/zinc/44/41/56/613444156.db2.gz	AWHPDQFRCJLETG-UHFFFAOYSA-N	-1	0	263.315	0.208	20	30		CCEDRM
C=CC(C)(C)CC(=O)NCCC(=O)[N-]S(C)(=O)=O	ZINC000907683502	613445490	/nfs/dbraw/zinc/44/54/90/613445490.db2.gz	LEJGOSKGPZXBEI-UHFFFAOYSA-N	-1	0	276.358	0.171	20	30		CCEDRM
C=CC1(S(=O)(=O)[N-]C(=O)CN2CCSC2=O)CC1	ZINC000870830978	613450357	/nfs/dbraw/zinc/45/03/57/613450357.db2.gz	KMWHSNOWFIFCBK-UHFFFAOYSA-N	-1	0	290.366	0.320	20	30		CCEDRM
C=CC1(S(=O)(=O)[N-]C(=O)C2=CCOCC2)CC1	ZINC000870836352	613450470	/nfs/dbraw/zinc/45/04/70/613450470.db2.gz	YVGPROUTVTYRCB-UHFFFAOYSA-N	-1	0	257.311	0.498	20	30		CCEDRM
C=CC1(S(=O)(=O)[N-]C(=O)[C@@H](CC)OCC)CC1	ZINC000870833899	613450854	/nfs/dbraw/zinc/45/08/54/613450854.db2.gz	ZUWCTZUFKYUNBA-SECBINFHSA-N	-1	0	261.343	0.966	20	30		CCEDRM
C=CC1(S(=O)(=O)[N-]C(=O)C[C@@H]2CCCOC2)CC1	ZINC000870836978	613450879	/nfs/dbraw/zinc/45/08/79/613450879.db2.gz	UAEUCCLVJWGGMT-JTQLQIEISA-N	-1	0	273.354	0.968	20	30		CCEDRM
C=C[C@@H](O)C(=O)N1C[C@H](C(=O)[O-])[C@H](c2ccccc2)C1	ZINC000909837341	613451206	/nfs/dbraw/zinc/45/12/06/613451206.db2.gz	WNDOLFPYIINXMS-RWMBFGLXSA-N	-1	0	275.304	0.860	20	30		CCEDRM
C=C[C@@H](O)C(=O)N1CCc2occc2[C@@H]1C(=O)[O-]	ZINC000910203747	613451217	/nfs/dbraw/zinc/45/12/17/613451217.db2.gz	AAESCQNKRGBWID-PSASIEDQSA-N	-1	0	251.238	0.337	20	30		CCEDRM
C=C[C@@H](O)C(=O)N1CCc2cccc(C(=O)[O-])c2C1	ZINC000909868113	613451338	/nfs/dbraw/zinc/45/13/38/613451338.db2.gz	FEDALNQQTXQDET-GFCCVEGCSA-N	-1	0	261.277	0.816	20	30		CCEDRM
C=C[C@@H](O)C(=O)NC[C@](C)(C(=O)[O-])c1ccccc1	ZINC000909603060	613452272	/nfs/dbraw/zinc/45/22/72/613452272.db2.gz	XJGMEHXHENYMDZ-RISCZKNCSA-N	-1	0	263.293	0.692	20	30		CCEDRM
C=CC1(S(=O)(=O)[N-]C(=O)c2cncn2C)CC1	ZINC000870838162	613452325	/nfs/dbraw/zinc/45/23/25/613452325.db2.gz	OBDTWSSRDXKSFO-UHFFFAOYSA-N	-1	0	255.299	0.198	20	30		CCEDRM
C=CCC1(C(=O)[N-]S(=O)(=O)CCOC)CCOCC1	ZINC000820053144	613456482	/nfs/dbraw/zinc/45/64/82/613456482.db2.gz	PZPGRLQCXKGBIV-UHFFFAOYSA-N	-1	0	291.369	0.452	20	30		CCEDRM
C=CCC1(S(=O)(=O)[N-]C(=O)/C=C/COC)CC1	ZINC000870369804	613460757	/nfs/dbraw/zinc/46/07/57/613460757.db2.gz	OUTJRVFSIGFPOY-SNAWJCMRSA-N	-1	0	259.327	0.744	20	30		CCEDRM
C=CCC1(S(=O)(=O)[N-]C(=O)[C@@H]2CO[C@H](C)C2)CC1	ZINC000810988291	613461409	/nfs/dbraw/zinc/46/14/09/613461409.db2.gz	GNVAVIQBYIZUKA-ZJUUUORDSA-N	-1	0	273.354	0.966	20	30		CCEDRM
C=CCC1(S(=O)(=O)[N-]C(=O)[C@H](CC)NC(C)=O)CC1	ZINC000870368607	613461437	/nfs/dbraw/zinc/46/14/37/613461437.db2.gz	FXJJJQVVOOVYGF-JTQLQIEISA-N	-1	0	288.369	0.456	20	30		CCEDRM
C=CCCCC(=O)N1CCOC[C@@H]1c1nnn[n-]1	ZINC000913495223	613464403	/nfs/dbraw/zinc/46/44/03/613464403.db2.gz	IJZCDLIVNHKFIN-SECBINFHSA-N	-1	0	251.290	0.456	20	30		CCEDRM
C=CCCCC(=O)[N-]S(=O)(=O)c1c(C)onc1N	ZINC000810829205	613464852	/nfs/dbraw/zinc/46/48/52/613464852.db2.gz	GAHHCPLBVTWYBD-UHFFFAOYSA-N	-1	0	273.314	0.726	20	30		CCEDRM
C=C[C@@H]1OCC[C@H]1C(=O)[N-]S(=O)(=O)c1cnccc1C	ZINC000842395645	613466242	/nfs/dbraw/zinc/46/62/42/613466242.db2.gz	JMXARHARJRDUOH-MNOVXSKESA-N	-1	0	296.348	0.786	20	30		CCEDRM
C=CCCC[C@@H](C)NC(=O)N=c1nn[n-]n1CC	ZINC000888331142	613470275	/nfs/dbraw/zinc/47/02/75/613470275.db2.gz	DXNHUIILBXNZOG-SECBINFHSA-N	-1	0	252.322	0.981	20	30		CCEDRM
C=CCCC[C@@H](NC(=O)COCc1nccn1C)C(=O)[O-]	ZINC000910917194	613470505	/nfs/dbraw/zinc/47/05/05/613470505.db2.gz	NLXNMHRWZMQZJW-LLVKDONJSA-N	-1	0	295.339	0.862	20	30		CCEDRM
C=CCCC[C@H](NC(=O)[C@@H](C)C(=O)[O-])C(=O)OC	ZINC000902835900	613473270	/nfs/dbraw/zinc/47/32/70/613473270.db2.gz	RMAKZMDPNIPEDL-BDAKNGLRSA-N	-1	0	257.286	0.721	20	30		CCEDRM
C=CCCC[C@H](NC(=O)CCn1ccnn1)C(=O)[O-]	ZINC000910916602	613473360	/nfs/dbraw/zinc/47/33/60/613473360.db2.gz	ZMEXJNLFWUKJKG-JTQLQIEISA-N	-1	0	266.301	0.594	20	30		CCEDRM
C=CCCC[C@H](NS(=O)(=O)N(C)C)C(=O)[O-]	ZINC000903058865	613474669	/nfs/dbraw/zinc/47/46/69/613474669.db2.gz	JYMGUKPQCRRCOO-QMMMGPOBSA-N	-1	0	250.320	0.192	20	30		CCEDRM
C=C[C@@](C)(O)C(=O)NCc1nc(C(=O)[O-])cs1	ZINC000909257808	613478925	/nfs/dbraw/zinc/47/89/25/613478925.db2.gz	FCTSRGMHKJOJQX-SNVBAGLBSA-N	-1	0	256.283	0.395	20	30		CCEDRM
C=C[C@H](C)O[N-]C(=O)C(=O)Nc1cnc(OC)c(OC)c1	ZINC000861899627	613483674	/nfs/dbraw/zinc/48/36/74/613483674.db2.gz	ULGKDSQDTALTKG-QMMMGPOBSA-N	-1	0	295.295	0.660	20	30		CCEDRM
C=C[C@H](C)O[N-]C(=O)C(=O)Nc1cnccc1OC	ZINC000846156097	613483726	/nfs/dbraw/zinc/48/37/26/613483726.db2.gz	SOJFLSXKHHNNAQ-QMMMGPOBSA-N	-1	0	265.269	0.651	20	30		CCEDRM
C=C[C@H](C)O[N-]C(=O)C(=O)Nc1ccc(OC)nc1OC	ZINC000846155221	613483775	/nfs/dbraw/zinc/48/37/75/613483775.db2.gz	PEMMFTYQWBRASC-QMMMGPOBSA-N	-1	0	295.295	0.660	20	30		CCEDRM
C=C[C@H](CCC(=O)[O-])NS(=O)(=O)c1c[nH]nc1Cl	ZINC000837292797	613490068	/nfs/dbraw/zinc/49/00/68/613490068.db2.gz	RLXNNMQARDKWQV-ZCFIWIBFSA-N	-1	0	293.732	0.761	20	30		CCEDRM
C=C[C@H](O)C(=O)N1CCC[C@@H](C(C)(C)C(=O)[O-])C1	ZINC000909494941	613494010	/nfs/dbraw/zinc/49/40/10/613494010.db2.gz	IPHIJNVLAYHAJC-ZJUUUORDSA-N	-1	0	255.314	0.883	20	30		CCEDRM
C=C[C@](C)(CCOC)C(=O)N1CCO[C@@H](CC(=O)[O-])C1	ZINC000909270872	613505734	/nfs/dbraw/zinc/50/57/34/613505734.db2.gz	ZINYWJLQFNUCCL-SMDDNHRTSA-N	-1	0	285.340	0.917	20	30		CCEDRM
C=C[C@](C)(O)C(=O)N[C@H](CC(=O)[O-])C(F)(F)F	ZINC000911157691	613508436	/nfs/dbraw/zinc/50/84/36/613508436.db2.gz	KXTBNKGCERARPA-XRGYYRRGSA-N	-1	0	255.192	0.445	20	30		CCEDRM
CC#CCCCC(=O)N1CCOC[C@H]1c1nnn[n-]1	ZINC000913496735	613520510	/nfs/dbraw/zinc/52/05/10/613520510.db2.gz	BDVACOULKPIEGC-JTQLQIEISA-N	-1	0	263.301	0.293	20	30		CCEDRM
C=CCCOCC(=O)NCc1ccc(C(=O)[O-])nc1	ZINC000910981036	613572085	/nfs/dbraw/zinc/57/20/85/613572085.db2.gz	JUZUGZWSZKAEEU-UHFFFAOYSA-N	-1	0	264.281	0.989	20	30		CCEDRM
C=CCCOCCNC(=O)CC[C@@H]1C[C@H](C(=O)[O-])CO1	ZINC000872724479	613574565	/nfs/dbraw/zinc/57/45/65/613574565.db2.gz	VBOAHPHQJHFQHM-NWDGAFQWSA-N	-1	0	285.340	0.965	20	30		CCEDRM
C=CCCO[N-]C(=O)C1=C(C)OCCS1(=O)=O	ZINC000856032629	613576026	/nfs/dbraw/zinc/57/60/26/613576026.db2.gz	ORRSYUXKJTUXHN-UHFFFAOYSA-N	-1	0	261.299	0.287	20	30		CCEDRM
C=CCCS(=O)(=O)N1C[C@@H](C)N(C(=O)[O-])[C@@H](C)C1	ZINC000823500969	613581111	/nfs/dbraw/zinc/58/11/11/613581111.db2.gz	OGAKFTCIUXAZSR-AOOOYVTPSA-N	-1	0	276.358	0.965	20	30		CCEDRM
C=CCCS(=O)(=O)N1[C@H](C(=O)[O-])C[C@@H]2OCC[C@@H]21	ZINC000926597909	613581277	/nfs/dbraw/zinc/58/12/77/613581277.db2.gz	YFASNNDJZFLUBV-GUBZILKMSA-N	-1	0	275.326	0.209	20	30		CCEDRM
C=CCCS(=O)(=O)N[C@@H](C[C@H]1CCCO1)C(=O)[O-]	ZINC000903029474	613581667	/nfs/dbraw/zinc/58/16/67/613581667.db2.gz	LAXKNZJBZMUKIX-ZJUUUORDSA-N	-1	0	277.342	0.504	20	30		CCEDRM
C=CCC[C@@H](NC(=O)N[C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@H]12)C(=O)[O-]	ZINC000900297694	613585016	/nfs/dbraw/zinc/58/50/16/613585016.db2.gz	MEKUHWDECOFXKF-MCNAKINOSA-N	-1	0	280.324	0.881	20	30		CCEDRM
C=CCC[C@@H](NC(=O)c1nnn(C)c1C)C(=O)[O-]	ZINC000909712171	613585868	/nfs/dbraw/zinc/58/58/68/613585868.db2.gz	ILINWYYPOSBPNA-MRVPVSSYSA-N	-1	0	252.274	0.273	20	30		CCEDRM
C=CCC[C@H](NC(=O)[C@@H](OCC)[C@H]1CCOC1)C(=O)[O-]	ZINC000864142696	613590088	/nfs/dbraw/zinc/59/00/88/613590088.db2.gz	NQCOPXIZIMTOSN-SRVKXCTJSA-N	-1	0	285.340	0.964	20	30		CCEDRM
C=CCC[C@H](O)CN1CCO[C@H]([C@H](C)NC(=O)[O-])C1	ZINC000823496298	613591136	/nfs/dbraw/zinc/59/11/36/613591136.db2.gz	HLYBNJNPARSGEK-SRVKXCTJSA-N	-1	0	272.345	0.670	20	30		CCEDRM
C=CCCn1cc(C(=O)N(CC=C)CC(=O)[O-])nn1	ZINC000819926959	613592687	/nfs/dbraw/zinc/59/26/87/613592687.db2.gz	NPOCFNGTSUQQNM-UHFFFAOYSA-N	-1	0	264.285	0.567	20	30		CCEDRM
C=CCCn1cc(C([O-])=C(C#N)C(=O)NC(C)C)nn1	ZINC000819943893	613597799	/nfs/dbraw/zinc/59/77/99/613597799.db2.gz	VOFZUKDTKZHRSE-SNVBAGLBSA-N	-1	0	275.312	0.701	20	30		CCEDRM
C=CCN(CC(=O)[O-])C(=O)Cc1nnn(C(C)(C)C)n1	ZINC000851603037	613642417	/nfs/dbraw/zinc/64/24/17/613642417.db2.gz	HKFUQVMRPPKTEW-UHFFFAOYSA-N	-1	0	281.316	0.070	20	30		CCEDRM
C=CCN(CC(=O)[O-])S(=O)(=O)CC1(F)CCC1	ZINC000903840945	613643685	/nfs/dbraw/zinc/64/36/85/613643685.db2.gz	WCFLWQNQVKVIPA-UHFFFAOYSA-N	-1	0	265.306	0.781	20	30		CCEDRM
C=CCN(CC(=O)[O-])C(=O)C[C@H]1CCOC[C@H]1OCC	ZINC000864136348	613642572	/nfs/dbraw/zinc/64/25/72/613642572.db2.gz	XKMNZJHATQQHGI-VXGBXAGGSA-N	-1	0	285.340	0.917	20	30		CCEDRM
C=CCN(CC(=O)[O-])C(=O)c1cc(OC(F)F)n(C)n1	ZINC000909514050	613643656	/nfs/dbraw/zinc/64/36/56/613643656.db2.gz	AYEVTZAOIVTFKN-UHFFFAOYSA-N	-1	0	289.238	0.734	20	30		CCEDRM
C=CCN(CC(=O)[O-])C(=O)c1cn(CCOC)nc1C	ZINC000909515847	613643664	/nfs/dbraw/zinc/64/36/64/613643664.db2.gz	HIOAFTBEMVVJHE-UHFFFAOYSA-N	-1	0	281.312	0.551	20	30		CCEDRM
C=CCN(CC(=O)[O-])C(=O)c1ccc(=O)[nH]c1C	ZINC000909515109	613643682	/nfs/dbraw/zinc/64/36/82/613643682.db2.gz	PJZFJSFWYILBEZ-UHFFFAOYSA-N	-1	0	250.254	0.808	20	30		CCEDRM
C=CCN(CC(=O)[O-])C(=O)c1cc(OCC)no1	ZINC000909515481	613643734	/nfs/dbraw/zinc/64/37/34/613643734.db2.gz	UHULNZQXAVQNGT-UHFFFAOYSA-N	-1	0	254.242	0.786	20	30		CCEDRM
CC#CCS(=O)(=O)[N-]C(=O)CC[C@@H](C)SC	ZINC000810774671	613645949	/nfs/dbraw/zinc/64/59/49/613645949.db2.gz	MBTAXASXKBVQEO-SECBINFHSA-N	-1	0	263.384	0.987	20	30		CCEDRM
CC#CCS(=O)(=O)[N-]C(=O)[C@@H](C)c1c(C)noc1C	ZINC000810778623	613646155	/nfs/dbraw/zinc/64/61/55/613646155.db2.gz	GEXFXLSPDSNCNY-QMMMGPOBSA-N	-1	0	284.337	0.864	20	30		CCEDRM
CC#CCS(=O)(=O)[N-]C(=O)C[C@H]1CCC(=O)[C@H]1C	ZINC000810778173	613646161	/nfs/dbraw/zinc/64/61/61/613646161.db2.gz	XAIUBJDXTSQLEM-VHSXEESVSA-N	-1	0	271.338	0.461	20	30		CCEDRM
CC#CCS(=O)(=O)[N-]C(=O)[C@@H](C)c1ccco1	ZINC000810776205	613646205	/nfs/dbraw/zinc/64/62/05/613646205.db2.gz	KEBNYNAVUOKCMD-VIFPVBQESA-N	-1	0	255.295	0.852	20	30		CCEDRM
CC#CCS(=O)(=O)[N-]C(=O)[C@@H]1C[C@H]2CC(=O)[C@@H]1C2	ZINC000838870868	613646564	/nfs/dbraw/zinc/64/65/64/613646564.db2.gz	HBWNBEIHINRVEL-IVZWLZJFSA-N	-1	0	269.322	0.071	20	30		CCEDRM
CC#CCS(=O)(=O)[N-]C(=O)[C@H](C)C(=O)OC(C)(C)C	ZINC000842345303	613646935	/nfs/dbraw/zinc/64/69/35/613646935.db2.gz	DQXXNSPZANESRN-VIFPVBQESA-N	-1	0	289.353	0.434	20	30		CCEDRM
CC#CCS(=O)(=O)[N-]C(=O)[C@H](C)CCCOC	ZINC000810772757	613647047	/nfs/dbraw/zinc/64/70/47/613647047.db2.gz	DMCZPLZWUDJINL-SNVBAGLBSA-N	-1	0	261.343	0.518	20	30		CCEDRM
CC#CCS(=O)(=O)[N-]C(=O)[C@H](C)c1ccco1	ZINC000810776204	613647159	/nfs/dbraw/zinc/64/71/59/613647159.db2.gz	KEBNYNAVUOKCMD-SECBINFHSA-N	-1	0	255.295	0.852	20	30		CCEDRM
CC#CCS(=O)(=O)[N-]C(=O)[C@H](C)OCC(C)C	ZINC000810778075	613647218	/nfs/dbraw/zinc/64/72/18/613647218.db2.gz	OABZIXRVOKYACK-JTQLQIEISA-N	-1	0	261.343	0.517	20	30		CCEDRM
CC#CCS(=O)(=O)[N-]C(=O)[C@H]1CCC(=O)c2cccn21	ZINC000810777352	613647270	/nfs/dbraw/zinc/64/72/70/613647270.db2.gz	FHWPPLYHWDBRNL-LLVKDONJSA-N	-1	0	294.332	0.475	20	30		CCEDRM
CC#CCS(=O)(=O)[N-]C(=O)c1ccc(NC(N)=O)cc1	ZINC000810776983	613647440	/nfs/dbraw/zinc/64/74/40/613647440.db2.gz	PVUXAUBLRLOYCU-UHFFFAOYSA-N	-1	0	295.320	0.260	20	30		CCEDRM
CC#CCS(=O)(=O)[N-]C(=O)c1coc(CCC)n1	ZINC000810775627	613648028	/nfs/dbraw/zinc/64/80/28/613648028.db2.gz	NQAWQXRXCWXFCA-UHFFFAOYSA-N	-1	0	270.310	0.710	20	30		CCEDRM
CC#CCS(=O)(=O)[N-]C(=O)c1cnn2ccccc12	ZINC000810774100	613648037	/nfs/dbraw/zinc/64/80/37/613648037.db2.gz	SOVKOVZTKPKLQY-UHFFFAOYSA-N	-1	0	277.305	0.417	20	30		CCEDRM
C=CCN1C(=O)C(=NNCC(=O)[O-])c2ccccc21	ZINC000814957082	613651731	/nfs/dbraw/zinc/65/17/31/613651731.db2.gz	UMCOGVUVNLEMFW-UHFFFAOYSA-N	-1	0	259.265	0.598	20	30		CCEDRM
C=CCN1C(=O)N[C@@]2(CCCC[C@H]2CNC(=O)[O-])C1=O	ZINC000823506034	613652400	/nfs/dbraw/zinc/65/24/00/613652400.db2.gz	BBCAGBWSTCSLQU-TVQRCGJNSA-N	-1	0	281.312	0.921	20	30		CCEDRM
CC(=NNC(=S)NC(C)(C)C)c1cn(CC(=O)[O-])nn1	ZINC000825804826	613653352	/nfs/dbraw/zinc/65/33/52/613653352.db2.gz	XOAJEKAAGXSOEK-UHFFFAOYSA-N	-1	0	298.372	0.349	20	30		CCEDRM
CC(=NNCC(=O)[O-])c1cn(-c2ccccc2)nn1	ZINC000814959789	613654629	/nfs/dbraw/zinc/65/46/29/613654629.db2.gz	CTORXCAPRICAGO-UHFFFAOYSA-N	-1	0	259.269	0.666	20	30		CCEDRM
CC(=NN[C@@H]1CCO[C@@H](C)C1)c1cn(CC(=O)[O-])nn1	ZINC000833386729	613656680	/nfs/dbraw/zinc/65/66/80/613656680.db2.gz	WDDKHFQLBKJSQV-WCBMZHEXSA-N	-1	0	281.316	0.244	20	30		CCEDRM
CC(=NOCC(N)=O)c1cccc(O[C@H](C)C(=O)[O-])c1	ZINC000814893184	613657678	/nfs/dbraw/zinc/65/76/78/613657678.db2.gz	GYPDRTODQUEQEB-SECBINFHSA-N	-1	0	280.280	0.764	20	30		CCEDRM
CC(=O)CCC(=O)[N-]S(=O)(=O)CC1(C#N)CCCC1	ZINC000800404108	613669129	/nfs/dbraw/zinc/66/91/29/613669129.db2.gz	VKLHPTVNMNSKBJ-UHFFFAOYSA-N	-1	0	286.353	0.886	20	30		CCEDRM
C=CCNC(=O)N1CCO[C@@H]([C@@H](C)NC(=O)[O-])C1	ZINC000823506327	613849246	/nfs/dbraw/zinc/84/92/46/613849246.db2.gz	GNFQGJGEFKSRTE-RKDXNWHRSA-N	-1	0	257.290	0.239	20	30		CCEDRM
C=CCNC(=O)NC(=O)[C@@H](C)N1CC[C@@H](N(C)C(=O)[O-])C1	ZINC000823506929	613851227	/nfs/dbraw/zinc/85/12/27/613851227.db2.gz	PIZFAUWLUUNHMV-NXEZZACHSA-N	-1	0	298.343	0.071	20	30		CCEDRM
C=CCNC(=O)NC(=O)[C@@H](C)OC(=O)[C@H](C)CC(=O)[O-]	ZINC000825687759	613851438	/nfs/dbraw/zinc/85/14/38/613851438.db2.gz	VIYHJHDEQHZZLF-HTQZYQBOSA-N	-1	0	286.284	0.041	20	30		CCEDRM
C=CCNC(=O)C(C#N)=C([O-])c1cn(C2CCC2)nn1	ZINC000842687013	613854853	/nfs/dbraw/zinc/85/48/53/613854853.db2.gz	SAZYYTIQFZLAAY-SNVBAGLBSA-N	-1	0	273.296	0.628	20	30		CCEDRM
CC(=O)N1CCC[C@H]1C(=O)[N-]Oc1cccc(C#N)c1	ZINC000870689432	613875095	/nfs/dbraw/zinc/87/50/95/613875095.db2.gz	CXGINCHNHZSUED-ZDUSSCGKSA-N	-1	0	273.292	0.979	20	30		CCEDRM
C=CCOCC(=O)N1C[C@@H](CC)[C@](F)(C(=O)[O-])C1	ZINC000910553811	613879173	/nfs/dbraw/zinc/87/91/73/613879173.db2.gz	QHAGVQDNXHRXIZ-SKDRFNHKSA-N	-1	0	259.277	0.850	20	30		CCEDRM
C=CCOCC(=O)N[C@H]1C[C@H]2C[C@H](C(=O)[O-])C[C@H]21	ZINC000907952077	613879565	/nfs/dbraw/zinc/87/95/65/613879565.db2.gz	JFTPHLMSHIBXEV-YTWAJWBKSA-N	-1	0	253.298	0.805	20	30		CCEDRM
C=CCOCCCC(=O)N1CC[C@](O)(C(=O)[O-])C1	ZINC000910525448	613879582	/nfs/dbraw/zinc/87/95/82/613879582.db2.gz	KFJQXGFRGGFYQC-GFCCVEGCSA-N	-1	0	257.286	0.017	20	30		CCEDRM
C=CCOCCNC(=O)CCCn1ccc(C(=O)[O-])n1	ZINC000909990113	613880603	/nfs/dbraw/zinc/88/06/03/613880603.db2.gz	WNHUVWUNRCECAH-UHFFFAOYSA-N	-1	0	281.312	0.680	20	30		CCEDRM
C=CCOCCNC(=O)N1CCC[C@@H]1CC(=O)[O-]	ZINC000302483096	613880737	/nfs/dbraw/zinc/88/07/37/613880737.db2.gz	ZSYNUKFYTILGBK-SNVBAGLBSA-N	-1	0	256.302	0.838	20	30		CCEDRM
C=CCOC[C@@H](NC(=O)/C=C\c1cn(C)cn1)C(=O)[O-]	ZINC000923078134	613881512	/nfs/dbraw/zinc/88/15/12/613881512.db2.gz	DTLXIEUDOAETIZ-DOGVGXBMSA-N	-1	0	279.296	0.205	20	30		CCEDRM
C=CCOC[C@@H](NC(=O)C1(O)CCCCC1)C(=O)[O-]	ZINC000836750823	613881545	/nfs/dbraw/zinc/88/15/45/613881545.db2.gz	COXUQILHULSKEW-SNVBAGLBSA-N	-1	0	271.313	0.454	20	30		CCEDRM
C=CCOC[C@@H](NC(=O)[C@H](CCC)OC)C(=O)[O-]	ZINC000909772527	613881815	/nfs/dbraw/zinc/88/18/15/613881815.db2.gz	RGCPTMQPTWCFCH-ZJUUUORDSA-N	-1	0	259.302	0.574	20	30		CCEDRM
C=CCOC[C@@H](NC(=O)c1cnc(C)n1C)C(=O)[O-]	ZINC000909771568	613881877	/nfs/dbraw/zinc/88/18/77/613881877.db2.gz	OEYSECOHWGAJDQ-SECBINFHSA-N	-1	0	267.285	0.114	20	30		CCEDRM
C=CCOC[C@@H](NCc1cnc(OC)s1)C(=O)[O-]	ZINC000901812002	613882044	/nfs/dbraw/zinc/88/20/44/613882044.db2.gz	YKUWSVVTUDJMJE-SECBINFHSA-N	-1	0	272.326	0.897	20	30		CCEDRM
C=CCOC[C@H](NC(=O)C1(COC)CCCC1)C(=O)[O-]	ZINC000909769907	613882220	/nfs/dbraw/zinc/88/22/20/613882220.db2.gz	CAPVRYIXGFGNOH-NSHDSACASA-N	-1	0	285.340	0.965	20	30		CCEDRM
C=CCOC[C@H](NC(=O)[C@@H]1CCO[C@H](CC)C1)C(=O)[O-]	ZINC000909767835	613882471	/nfs/dbraw/zinc/88/24/71/613882471.db2.gz	QVYSXKFWLGVCNT-UTUOFQBUSA-N	-1	0	285.340	0.964	20	30		CCEDRM
C=CCOC[C@H](NC(=O)c1cn2ccnc2s1)C(=O)[O-]	ZINC000909769713	613882669	/nfs/dbraw/zinc/88/26/69/613882669.db2.gz	BJNDVSDXYBVIIT-QMMMGPOBSA-N	-1	0	295.320	0.781	20	30		CCEDRM
C=CCOC[C@H](NC(=O)c1ccncc1C)C(=O)[O-]	ZINC000909769923	613882671	/nfs/dbraw/zinc/88/26/71/613882671.db2.gz	COSUSFPSPIYRQY-NSHDSACASA-N	-1	0	264.281	0.776	20	30		CCEDRM
C=CCS(=O)(=O)[N-]C(=O)C[C@H](C)n1cccn1	ZINC000820399361	613886152	/nfs/dbraw/zinc/88/61/52/613886152.db2.gz	OTMUBEIGIXKSQZ-VIFPVBQESA-N	-1	0	257.315	0.466	20	30		CCEDRM
C=CCS(=O)(=O)[N-]C(=O)C[C@H]1CC(C)(C)CO1	ZINC000892881985	613886165	/nfs/dbraw/zinc/88/61/65/613886165.db2.gz	CIHQERIUGRYXPP-VIFPVBQESA-N	-1	0	261.343	0.824	20	30		CCEDRM
C=CCS(=O)(=O)[N-]C(=O)[C@@H](OCC)C1CCOCC1	ZINC000870256323	613886248	/nfs/dbraw/zinc/88/62/48/613886248.db2.gz	FRNWNPFBCSODSG-NSHDSACASA-N	-1	0	291.369	0.450	20	30		CCEDRM
C=CCS(=O)(=O)[N-]C(=O)[C@@H]1Cc2cccc(C)c2O1	ZINC000835253466	613886260	/nfs/dbraw/zinc/88/62/60/613886260.db2.gz	MAXUUZLZFABDPT-NSHDSACASA-N	-1	0	281.333	0.931	20	30		CCEDRM
CC(C)NC(=O)[C@H](C#N)C(=O)[C@H](C)CN(C)C(=O)[O-]	ZINC000824370010	613933597	/nfs/dbraw/zinc/93/35/97/613933597.db2.gz	YDHUASMAHFVIKZ-RKDXNWHRSA-N	-1	0	269.301	0.466	20	30		CCEDRM
CC(C)OCCC(=O)N1CCN(C(=O)[O-])C[C@@H]1C#N	ZINC000824393691	614008560	/nfs/dbraw/zinc/00/85/60/614008560.db2.gz	KQSGCOJWMJHGIF-JTQLQIEISA-N	-1	0	269.301	0.516	20	30		CCEDRM
CC(C)(C)O[C@@H]1C[C@H]1C(=O)N[C@H]1CCCN(O)C1=O	ZINC000854648195	614015720	/nfs/dbraw/zinc/01/57/20/614015720.db2.gz	AAUXGWRUAXIQFQ-KXUCPTDWSA-N	-1	0	270.329	0.686	20	30		CCEDRM
CC(C)(CO)CCCNC(=O)[C@](C)(C#N)CC(=O)[O-]	ZINC000819948176	614117856	/nfs/dbraw/zinc/11/78/56/614117856.db2.gz	FBGHMVPHPPACAH-ZDUSSCGKSA-N	-1	0	270.329	0.906	20	30		CCEDRM
CC(C)(NC(=O)[C@@H](O)c1ccc(C#N)cc1)C(=O)[O-]	ZINC000833460186	614167764	/nfs/dbraw/zinc/16/77/64/614167764.db2.gz	UVGVJJOLGXCDBR-JTQLQIEISA-N	-1	0	262.265	0.571	20	30		CCEDRM
CC(C)[C@H](NC(=O)[C@@H](O)c1ccc(C#N)cc1)C(=O)[O-]	ZINC000820049512	614235271	/nfs/dbraw/zinc/23/52/71/614235271.db2.gz	ZTKZFLIQFXJBJP-RYUDHWBXSA-N	-1	0	276.292	0.817	20	30		CCEDRM
CC(C)[C@](C)(C#N)NC(=O)C[N@@H+]1CC[C@@](C)(C(=O)[O-])C1	ZINC000826677796	614285925	/nfs/dbraw/zinc/28/59/25/614285925.db2.gz	ZIDYJANFTVMMAD-KGLIPLIRSA-N	-1	0	281.356	0.837	20	30		CCEDRM
CC(C)(C#N)CS(=O)(=O)[N-]C(=O)CSC(F)F	ZINC000835275016	614287366	/nfs/dbraw/zinc/28/73/66/614287366.db2.gz	CZVOYUVZWDJWPH-UHFFFAOYSA-N	-1	0	286.325	0.938	20	30		CCEDRM
CC(C)n1cc(S(=O)(=O)[N-]C(=O)[C@H](C)CC#N)cn1	ZINC000851067696	614357266	/nfs/dbraw/zinc/35/72/66/614357266.db2.gz	ROWPOBYIIWXVTH-SECBINFHSA-N	-1	0	284.341	0.819	20	30		CCEDRM
CC(C)N1CCN(C(=O)[C@](C)(C#N)CC(=O)[O-])CC1=O	ZINC000820024869	614357914	/nfs/dbraw/zinc/35/79/14/614357914.db2.gz	DCNORZIESFBEEI-ZDUSSCGKSA-N	-1	0	281.312	0.070	20	30		CCEDRM
CCCC[C@@H](ON=C(C)C)C(=O)Nn1c(=O)[n-][nH]c1=O	ZINC000816734124	614478958	/nfs/dbraw/zinc/47/89/58/614478958.db2.gz	ZWBOSQCOACZGAI-MRVPVSSYSA-N	-1	0	285.304	0.731	20	30		CCEDRM
CCN(C(=O)c1ccc(C#N)cn1)C1CN(C(=O)[O-])C1	ZINC000826983326	614724716	/nfs/dbraw/zinc/72/47/16/614724716.db2.gz	MBLQIKVDYSNLRL-UHFFFAOYSA-N	-1	0	274.280	0.778	20	30		CCEDRM
CCN(C)S(=O)(=O)[N-]C(=O)CCCCCC#N	ZINC000805887854	614883297	/nfs/dbraw/zinc/88/32/97/614883297.db2.gz	IQMWIVDDVRAIQW-UHFFFAOYSA-N	-1	0	261.347	0.773	20	30		CCEDRM
CCN(CC#N)C(=O)c1n[n-]c2ccccc2c1=O	ZINC000118319805	614923354	/nfs/dbraw/zinc/92/33/54/614923354.db2.gz	TVOJZCFWMSHJCS-UHFFFAOYSA-N	-1	0	256.265	0.909	20	30		CCEDRM
CC1=CC(=O)C(=C([O-])C=Cc2cnn(C)n2)C(=O)O1	ZINC000901416286	614968432	/nfs/dbraw/zinc/96/84/32/614968432.db2.gz	FQDQELMKHAHKES-UFFNRZRYSA-N	-1	0	261.237	0.043	20	30		CCEDRM
CC1CC(C#N)(C(=O)NC[C@@H]2CCO[C@@H]2C(=O)[O-])C1	ZINC000923101762	615011183	/nfs/dbraw/zinc/01/11/83/615011183.db2.gz	UAOVMNHHVGFYKJ-XWDDTNKTSA-N	-1	0	266.297	0.532	20	30		CCEDRM
CCN(CCCNC(=O)Nc1nn(C)cc1C#N)C(=O)[O-]	ZINC000827124168	615043012	/nfs/dbraw/zinc/04/30/12/615043012.db2.gz	OYCGFPGZRYIVDX-UHFFFAOYSA-N	-1	0	294.315	0.803	20	30		CCEDRM
CCC[C@H](NC(=O)[O-])C(=O)OC1CCN(CC#N)CC1	ZINC000826758273	615044690	/nfs/dbraw/zinc/04/46/90/615044690.db2.gz	NAKNEQCYOPJCNZ-NSHDSACASA-N	-1	0	283.328	0.954	20	30		CCEDRM
CCN(C[C@H](C)C#N)C(=O)COC1CN(C(=O)[O-])C1	ZINC000827020596	615064922	/nfs/dbraw/zinc/06/49/22/615064922.db2.gz	XLWAVSAFBZHFBJ-SECBINFHSA-N	-1	0	269.301	0.373	20	30		CCEDRM
CCNc1nc(C(=O)N[C@H]2CCN(O)C2=O)cs1	ZINC000820131008	615140233	/nfs/dbraw/zinc/14/02/33/615140233.db2.gz	FDNGKNAWXSKJQU-LURJTMIESA-N	-1	0	270.314	0.295	20	30		CCEDRM
CCOC(=O)C[C@@H](C)NC(=O)[C@@](C)(C#N)CC(=O)[O-]	ZINC000820364349	615202740	/nfs/dbraw/zinc/20/27/40/615202740.db2.gz	CRKITNBGZDXVFX-PRHODGIISA-N	-1	0	270.285	0.449	20	30		CCEDRM
CCOCCCNC(=O)C(C#N)=C([O-])c1ccn(CC)n1	ZINC000842681980	615244562	/nfs/dbraw/zinc/24/45/62/615244562.db2.gz	WAHUVZOZGSFWEC-NSHDSACASA-N	-1	0	292.339	0.768	20	30		CCEDRM
CCOCCO[C@@H](C)C(=O)N1CCN(C(=O)[O-])C[C@H]1C#N	ZINC000827405229	615291788	/nfs/dbraw/zinc/29/17/88/615291788.db2.gz	MFBPNYHEQRTCSM-WDEREUQCSA-N	-1	0	299.327	0.142	20	30		CCEDRM
CCOC[C@H](C(=O)[O-])N(C)C(=O)C#Cc1ccccc1	ZINC000829939967	615312486	/nfs/dbraw/zinc/31/24/86/615312486.db2.gz	QKYUZTYQBFORBO-CYBMUJFWSA-N	-1	0	275.304	0.986	20	30		CCEDRM
CCS(=O)(CC)=NS(=O)(=O)[N-][C@@H](C)C#N	ZINC000903096337	615357895	/nfs/dbraw/zinc/35/78/95/615357895.db2.gz	YLQLCVPVUFOGKG-ZETCQYMHSA-N	-1	0	253.349	0.241	20	30		CCEDRM
CCO[N-]C(=O)CNC(=O)NCC#Cc1ccccc1	ZINC000845549830	615362242	/nfs/dbraw/zinc/36/22/42/615362242.db2.gz	MGBSDLHDPSKIDT-UHFFFAOYSA-N	-1	0	275.308	0.405	20	30		CCEDRM
CCO[N-]C(=O)CNC(=O)[C@@]1(C#N)CC2CCC1CC2	ZINC000911899328	615369581	/nfs/dbraw/zinc/36/95/81/615369581.db2.gz	WQEFXXMEBSCHDV-QIMFLAQGSA-N	-1	0	279.340	0.890	20	30		CCEDRM
CCO[N-]C(=O)CNC(=O)c1ccc(C#N)cc1C	ZINC000846494494	615371287	/nfs/dbraw/zinc/37/12/87/615371287.db2.gz	UWOWWOFUFHKLAG-UHFFFAOYSA-N	-1	0	261.281	0.664	20	30		CCEDRM
CCO[N-]C(=O)CNC(=O)c1ccc(C#N)s1	ZINC000846493850	615371514	/nfs/dbraw/zinc/37/15/14/615371514.db2.gz	HZGWGACXANGFAV-UHFFFAOYSA-N	-1	0	253.283	0.417	20	30		CCEDRM
CCNC(=O)CCC(=O)NOc1cccc(C#N)c1	ZINC000870693101	615460579	/nfs/dbraw/zinc/46/05/79/615460579.db2.gz	XWKDZFCGWDUUTE-UHFFFAOYSA-N	-1	0	261.281	0.885	20	30		CCEDRM
CCOc1ccccc1NC(=O)CN(CC#N)CC(=O)[O-]	ZINC000830109874	615518295	/nfs/dbraw/zinc/51/82/95/615518295.db2.gz	QAMSLYQGKYEKPK-UHFFFAOYSA-N	-1	0	291.307	0.934	20	30		CCEDRM
CC[C@@H](NC(C)=O)C(=O)[N-]Oc1cccc(C#N)c1	ZINC000870691527	615533686	/nfs/dbraw/zinc/53/36/86/615533686.db2.gz	PPDMYHYEDKSMFU-GFCCVEGCSA-N	-1	0	261.281	0.883	20	30		CCEDRM
CC[C@@H](O)CNN=C1C(=O)Nc2c1ccc(O)c2F	ZINC000841638674	615542171	/nfs/dbraw/zinc/54/21/71/615542171.db2.gz	GGDNWMMAMNPYRF-ZCFIWIBFSA-N	-1	0	267.260	0.548	20	30		CCEDRM
CC[C@@H]1CN(C(=O)[C@@](C)(C#N)CC(=O)[O-])C[C@@H]1O	ZINC000820297293	615560263	/nfs/dbraw/zinc/56/02/63/615560263.db2.gz	SCVFSLMODIJTEN-VDDIYKPWSA-N	-1	0	254.286	0.220	20	30		CCEDRM
CCn1ncc(C=CC([O-])=C2C(=O)C=C(C)OC2=O)n1	ZINC000901416787	615675957	/nfs/dbraw/zinc/67/59/57/615675957.db2.gz	IYXBMUDCMSKILL-ZYOFXKKJSA-N	-1	0	275.264	0.526	20	30		CCEDRM
CC[C@H](C)S(=O)(=O)[N-]C(=O)c1cccc(C#N)n1	ZINC000810671927	615682264	/nfs/dbraw/zinc/68/22/64/615682264.db2.gz	ZEIOVKWPWTZSGT-QMMMGPOBSA-N	-1	0	267.310	0.811	20	30		CCEDRM
CCc1nc(C([O-])=C(C#N)C(=O)NC)nn1-c1ccccc1	ZINC000735594314	615731396	/nfs/dbraw/zinc/73/13/96/615731396.db2.gz	XETGBGZUNNPKQO-NSHDSACASA-N	-1	0	297.318	0.898	20	30		CCEDRM
CC[C@H](NN=C(C)C[C@H]1CCCC(=O)N1)C(=O)[O-]	ZINC000841641811	615819903	/nfs/dbraw/zinc/81/99/03/615819903.db2.gz	AEUROINCFMBQHG-ZJUUUORDSA-N	-1	0	255.318	0.874	20	30		CCEDRM
CC[C@H](NN=C1c2cc(OC)ccc2N(C)C1=O)C(=O)[O-]	ZINC000844598401	615819909	/nfs/dbraw/zinc/81/99/09/615819909.db2.gz	OJMYFVZGORESNN-JTQLQIEISA-N	-1	0	291.307	0.829	20	30		CCEDRM
CN(C(=O)[O-])[C@H]1CCN(C(=O)Nc2nn(C)cc2C#N)C1	ZINC000827865508	615845360	/nfs/dbraw/zinc/84/53/60/615845360.db2.gz	PHIZTLKNWCIJEX-VIFPVBQESA-N	-1	0	292.299	0.508	20	30		CCEDRM
CCc1ocnc1C(=O)[N-]S(=O)(=O)CC1(C#N)CC1	ZINC000793198044	615881967	/nfs/dbraw/zinc/88/19/67/615881967.db2.gz	SXAHZWCOSSURPI-UHFFFAOYSA-N	-1	0	283.309	0.600	20	30		CCEDRM
CCn1[n-]nnc1=NC(=O)c1cc(C)c(C#N)c(C)c1	ZINC000905886430	615916744	/nfs/dbraw/zinc/91/67/44/615916744.db2.gz	NOPGXUIEXMXJAJ-UHFFFAOYSA-N	-1	0	270.296	0.856	20	30		CCEDRM
CN(C)c1nccc(NN=Cc2c(C(=O)[O-])cnn2C)n1	ZINC000848406694	616036993	/nfs/dbraw/zinc/03/69/93/616036993.db2.gz	QVONFNREMHGWBN-UHFFFAOYSA-N	-1	0	289.299	0.420	20	30		CCEDRM
CN(Cc1nc(=O)o[n-]1)c1snc(Cl)c1C#N	ZINC000882508798	616102386	/nfs/dbraw/zinc/10/23/86/616102386.db2.gz	ORQZXKXMOXEVLS-UHFFFAOYSA-N	-1	0	271.689	0.981	20	30		CCEDRM
COCCNC(=O)C(C#N)=C([O-])c1cc(C)co1	ZINC000892491990	616492086	/nfs/dbraw/zinc/49/20/86/616492086.db2.gz	PXUJGNIBDFPPOJ-VIFPVBQESA-N	-1	0	250.254	0.673	20	30		CCEDRM
COCCNC(=O)C(C#N)=C([O-])c1cc([N+](=O)[O-])cn1C	ZINC000916889567	616496506	/nfs/dbraw/zinc/49/65/06/616496506.db2.gz	AHEGIHSITPFOAS-SECBINFHSA-N	-1	0	294.267	0.018	20	30		CCEDRM
COCCNC(=O)C(C#N)=C([O-])c1nc2c(s1)CCC2	ZINC000842289439	616496537	/nfs/dbraw/zinc/49/65/37/616496537.db2.gz	QXIVSAZKMRVNFF-MRVPVSSYSA-N	-1	0	293.348	0.717	20	30		CCEDRM
COCC#CCN1c2ccsc2C([O-])=CS1(=O)=O	ZINC000902801193	616528273	/nfs/dbraw/zinc/52/82/73/616528273.db2.gz	GCXYADSNZBIVJR-UHFFFAOYSA-N	-1	0	285.346	0.730	20	30		CCEDRM
COCCO[N-]C(=O)COc1ccccc1C#N	ZINC000135142218	616573421	/nfs/dbraw/zinc/57/34/21/616573421.db2.gz	NDKORCVSTKQTEA-UHFFFAOYSA-N	-1	0	250.254	0.631	20	30		CCEDRM
COCCS(=O)(=O)[N-]C(=O)CCCCCC#N	ZINC000805879187	616609340	/nfs/dbraw/zinc/60/93/40/616609340.db2.gz	FDRWMZBISSYYLW-UHFFFAOYSA-N	-1	0	262.331	0.553	20	30		CCEDRM
COCCS(=O)(=O)[N-]c1cccc(CC#N)n1	ZINC000886436140	616613641	/nfs/dbraw/zinc/61/36/41/616613641.db2.gz	SHCYFPAZTBLQQZ-UHFFFAOYSA-N	-1	0	255.299	0.536	20	30		CCEDRM
COC(=O)CS(=O)(=O)[N-]C(=O)c1ccc(C#N)cc1C	ZINC000838801885	616621513	/nfs/dbraw/zinc/62/15/13/616621513.db2.gz	OADVMCOPQVNCMJ-UHFFFAOYSA-N	-1	0	296.304	0.099	20	30		CCEDRM
COC[C@H](C)Sc1nc(N)c(-c2nn[nH]n2)cc1C#N	ZINC000821682735	616632925	/nfs/dbraw/zinc/63/29/25/616632925.db2.gz	MRAPWMKSLOHPOX-LURJTMIESA-N	-1	0	291.340	0.843	20	30		CCEDRM
COCCC1N=NC(=S)N1N=Cc1ccc(C(=O)[O-])[nH]1	ZINC000831795699	616702209	/nfs/dbraw/zinc/70/22/09/616702209.db2.gz	GGWZOOVRHINSFU-UHFFFAOYSA-N	-1	0	295.324	0.664	20	30		CCEDRM
COC[C@@H](C#N)OC(=O)CN(CC1CC1)C(=O)[O-]	ZINC000833882565	616773835	/nfs/dbraw/zinc/77/38/35/616773835.db2.gz	OOXLLNKOFLXRCX-SECBINFHSA-N	-1	0	256.258	0.458	20	30		CCEDRM
CNC(=O)C(C#N)=C([O-])c1cc(C)n(-c2cnn(C)c2)c1C	ZINC000850764170	616776917	/nfs/dbraw/zinc/77/69/17/616776917.db2.gz	NTGBZUKMKYQVJZ-ZDUSSCGKSA-N	-1	0	299.334	0.896	20	30		CCEDRM
CNC(=O)C(C#N)=C([O-])c1cccc(OCC(F)F)n1	ZINC000127897614	616777735	/nfs/dbraw/zinc/77/77/35/616777735.db2.gz	JKYZESRHIPIGEA-ZETCQYMHSA-N	-1	0	283.234	0.794	20	30		CCEDRM
CNC(=O)C(C#N)=C([O-])c1nnn(-c2cccc(C)c2)c1C	ZINC000917430662	616778125	/nfs/dbraw/zinc/77/81/25/616778125.db2.gz	AKVIFJYXNRNPLL-LBPRGKRZSA-N	-1	0	297.318	0.953	20	30		CCEDRM
COC[C@](C)(CC(=O)[O-])NC(=O)c1ccc(C#N)nc1	ZINC000831563308	616819115	/nfs/dbraw/zinc/81/91/15/616819115.db2.gz	BDTGBBOPADMEOL-ZDUSSCGKSA-N	-1	0	277.280	0.563	20	30		CCEDRM
COC[C@@H](C)NC(=S)NN=Cc1cc(C(=O)[O-])c(C)[nH]1	ZINC000800806185	616827461	/nfs/dbraw/zinc/82/74/61/616827461.db2.gz	AQLIUNMFHVAEBD-SSDOTTSWSA-N	-1	0	298.368	0.854	20	30		CCEDRM
CNC(=O)[C@H](C#N)C(=O)[C@H]1CCC[C@H](C(=O)[O-])C1	ZINC000830968408	616838514	/nfs/dbraw/zinc/83/85/14/616838514.db2.gz	CTCXMPFAIVEQHU-XHNCKOQMSA-N	-1	0	252.270	0.332	20	30		CCEDRM
CNC(=O)[C@H](C#N)C(=O)[C@@H]1CCC[C@H](C(=O)[O-])C1	ZINC000830968405	616838621	/nfs/dbraw/zinc/83/86/21/616838621.db2.gz	CTCXMPFAIVEQHU-HRDYMLBCSA-N	-1	0	252.270	0.332	20	30		CCEDRM
CNC(=O)C(C#N)=C([O-])c1cc(C)nc2cc(C)nn21	ZINC000917431914	616839641	/nfs/dbraw/zinc/83/96/41/616839641.db2.gz	WTANSZFEFUNGFQ-SECBINFHSA-N	-1	0	271.280	0.415	20	30		CCEDRM
COC(=O)c1cc(NC(=O)[C@](C)(C#N)CC(=O)[O-])cn1C	ZINC000820680135	616867848	/nfs/dbraw/zinc/86/78/48/616867848.db2.gz	MSJGCPGYCQNVDE-ZDUSSCGKSA-N	-1	0	293.279	0.755	20	30		CCEDRM
COC(=O)NCC(=O)O[C@@H](C(=O)[O-])c1cccc(C#N)c1	ZINC000831204169	616871251	/nfs/dbraw/zinc/87/12/51/616871251.db2.gz	PDMTVYIIPBLUNR-LLVKDONJSA-N	-1	0	292.247	0.583	20	30		CCEDRM
COCCCNC(=O)C(C#N)=C([O-])c1cc(OC)ccn1	ZINC000842681835	616902151	/nfs/dbraw/zinc/90/21/51/616902151.db2.gz	UHJSIVKVMHFVLB-LLVKDONJSA-N	-1	0	291.307	0.565	20	30		CCEDRM
COCCCNC(=O)C(C#N)=C([O-])c1cccc(C#N)n1	ZINC000810528724	616902301	/nfs/dbraw/zinc/90/23/01/616902301.db2.gz	XEHRIEWICFRBTM-LLVKDONJSA-N	-1	0	286.291	0.428	20	30		CCEDRM
COCCCO[N-]C(=O)Cc1noc(C)c1C#N	ZINC000805041892	616923043	/nfs/dbraw/zinc/92/30/43/616923043.db2.gz	OGMQCECPORXOKN-UHFFFAOYSA-N	-1	0	253.258	0.482	20	30		CCEDRM
COC[C@@](C)(C#N)NC(=O)CN(C[C@@H]1CCCO1)C(=O)[O-]	ZINC000828885318	617011106	/nfs/dbraw/zinc/01/11/06/617011106.db2.gz	BVDGIMBMQOQNLM-GXFFZTMASA-N	-1	0	299.327	0.190	20	30		CCEDRM
Cn1c(C#N)ccc1C(=O)[N-]S(=O)(=O)C1(Cl)CC1	ZINC000893234197	625389572	/nfs/dbraw/zinc/38/95/72/625389572.db2.gz	UXAKJRCVEIYQHK-UHFFFAOYSA-N	-1	0	287.728	0.685	20	30		CCEDRM
C#C[C@H](C)NS(=O)(=O)c1cc(C(=O)[O-])ccc1OC	ZINC000122955923	625403588	/nfs/dbraw/zinc/40/35/88/625403588.db2.gz	VOVDYZGRRWZPDH-QMMMGPOBSA-N	-1	0	283.305	0.693	20	30		CCEDRM
Cc1cc(C(=O)[N-]S(=O)(=O)CCCC#N)co1	ZINC000187484436	625435198	/nfs/dbraw/zinc/43/51/98/625435198.db2.gz	ARICISCDNKHZQX-UHFFFAOYSA-N	-1	0	256.283	0.951	20	30		CCEDRM
CCn1nccc1/C=C\C(=O)c1cnc([O-])n(C)c1=O	ZINC000255843543	623340517	/nfs/dbraw/zinc/34/05/17/623340517.db2.gz	JOGFWBNIHSHXHG-PLNGDYQASA-N	-1	0	274.280	0.598	20	30		CCEDRM
N#Cc1ncccc1S(=O)(=O)NCCCC(=O)[O-]	ZINC000236425929	623367510	/nfs/dbraw/zinc/36/75/10/623367510.db2.gz	WBPPXFNJOXIVNA-UHFFFAOYSA-N	-1	0	269.282	0.096	20	30		CCEDRM
C=CCCO[C@@H](C)C(=O)[N-]S(=O)(=O)Cc1ccon1	ZINC000177700997	623449454	/nfs/dbraw/zinc/44/94/54/623449454.db2.gz	ZCBIACFEPWDICZ-VIFPVBQESA-N	-1	0	288.325	0.602	20	30		CCEDRM
C#C[C@H](CCC)NS(=O)(=O)c1cc(C(=O)[O-])n(C)c1	ZINC000229873689	623571598	/nfs/dbraw/zinc/57/15/98/623571598.db2.gz	ICPMNFGWPQKMSJ-SECBINFHSA-N	-1	0	284.337	0.804	20	30		CCEDRM
C#CCCCCC(=O)[N-]S(=O)(=O)N(C)CCC	ZINC000180799966	623626477	/nfs/dbraw/zinc/62/64/77/623626477.db2.gz	SGWDVRPIYPUXLH-UHFFFAOYSA-N	-1	0	260.359	0.883	20	30		CCEDRM
CC#CCCNC(=O)N[C@](CC)(COC)C(=O)[O-]	ZINC000328564536	623887275	/nfs/dbraw/zinc/88/72/75/623887275.db2.gz	KNEUSYNHNNPFCX-GFCCVEGCSA-N	-1	0	256.302	0.579	20	30		CCEDRM
Cc1nn(C)cc1S(=O)(=O)[N-]C(=O)CCCC#N	ZINC000813099444	624646668	/nfs/dbraw/zinc/64/66/68/624646668.db2.gz	SVMBRKPTKITZGH-UHFFFAOYSA-N	-1	0	270.314	0.227	20	30		CCEDRM
CC1(C)C[C@@]1(C(=O)[O-])C(=O)N1CCN(CCC#N)CC1	ZINC000902489699	634397943	/nfs/dbraw/zinc/39/79/43/634397943.db2.gz	NOESTBVLZDUGBL-AWEZNQCLSA-N	-1	0	279.340	0.545	20	30		CCEDRM
Cn1[n-]c(C(=O)NCC#C[C@H]2CCCCO2)cc1=O	ZINC000891117545	624730447	/nfs/dbraw/zinc/73/04/47/624730447.db2.gz	WMSBKOXHFCZGDR-SNVBAGLBSA-N	-1	0	263.297	0.428	20	30		CCEDRM
N#Cc1cc(N2CCO[C@@H](C(=O)[O-])C2)nc(C2CC2)n1	ZINC000900940495	634130969	/nfs/dbraw/zinc/13/09/69/634130969.db2.gz	IVVFUUZUSPAKFL-SNVBAGLBSA-N	-1	0	274.280	0.515	20	30		CCEDRM
N#Cc1c[n-]c(=O)n(C[C@H]2CCCC3(CCC3)O2)c1=O	ZINC000901567051	634260293	/nfs/dbraw/zinc/26/02/93/634260293.db2.gz	XPRLLLIGPAIHAU-LLVKDONJSA-N	-1	0	275.308	0.900	20	30		CCEDRM
N#CC1(C(=O)N2CC[C@@H](C(=O)[O-])C2)CCSCC1	ZINC000907618682	635172806	/nfs/dbraw/zinc/17/28/06/635172806.db2.gz	VIMCQMAAOOHMEL-SECBINFHSA-N	-1	0	268.338	0.956	20	30		CCEDRM
C=CCCCN(CC)C(=O)C(=O)NC[C@@H](C)C(=O)[O-]	ZINC000910495318	635790034	/nfs/dbraw/zinc/79/00/34/635790034.db2.gz	UVIHXJSJZHVJFH-SNVBAGLBSA-N	-1	0	270.329	0.638	20	30		CCEDRM
O=C(C#Cc1cccs1)N1CCOC[C@@H]1c1nnn[n-]1	ZINC000913498939	636830180	/nfs/dbraw/zinc/83/01/80/636830180.db2.gz	RURFFIWJONCKQM-SNVBAGLBSA-N	-1	0	289.320	0.213	20	30		CCEDRM
C#CCSCCNC(=O)N[C@H](C(=O)[O-])C1CC1	ZINC000231960457	637237869	/nfs/dbraw/zinc/23/78/69/637237869.db2.gz	AZWXDMIWXNIZBS-VIFPVBQESA-N	-1	0	256.327	0.515	20	30		CCEDRM
N#CCCCS(=O)(=O)[N-]C(=O)c1cc(C2CC2)n[nH]1	ZINC000181270776	638327159	/nfs/dbraw/zinc/32/71/59/638327159.db2.gz	AXCCIXCJVSBJOM-UHFFFAOYSA-N	-1	0	282.325	0.650	20	30		CCEDRM
CO[C@H](C)CC(=O)[N-]S(=O)(=O)c1ccc(C#N)cc1	ZINC000195490508	638783826	/nfs/dbraw/zinc/78/38/26/638783826.db2.gz	SZDUTEUQIRIVPB-SECBINFHSA-N	-1	0	282.321	0.788	20	30		CCEDRM
Cc1cc(C)c(C(=O)[O-])cc1C=NOCC(N)=O	ZINC000814893085	638855249	/nfs/dbraw/zinc/85/52/49/638855249.db2.gz	CZPFJHOIIWTHAH-UHFFFAOYSA-N	-1	0	250.254	0.837	20	30		CCEDRM
C[C@@H]1[C@H](C(=O)[O-])CCN1C(=O)[C@]1(C#N)CCCOC1	ZINC000923083443	640017833	/nfs/dbraw/zinc/01/78/33/640017833.db2.gz	YRCYLMHOSVHFLY-BREBYQMCSA-N	-1	0	266.297	0.628	20	30		CCEDRM
N#C[C@]1(C(=O)N2CCSC[C@H](C(=O)[O-])C2)CCCOC1	ZINC000923101371	640022468	/nfs/dbraw/zinc/02/24/68/640022468.db2.gz	ICCYFCZTNLOTTP-ZWNOBZJWSA-N	-1	0	298.364	0.583	20	30		CCEDRM
N#C[C@]1(C(=O)N2C[C@H]3[C@H](C(=O)[O-])[C@H]3C2)CCCOC1	ZINC000923107723	640025199	/nfs/dbraw/zinc/02/51/99/640025199.db2.gz	XUTPMFATGJURLK-KEPMVKOISA-N	-1	0	264.281	0.096	20	30		CCEDRM
N#CCCCS(=O)(=O)[N-]C(=O)COCc1cccnc1	ZINC000805910064	640440945	/nfs/dbraw/zinc/44/09/45/640440945.db2.gz	KRSUHNSBTQOFCN-UHFFFAOYSA-N	-1	0	297.336	0.348	20	30		CCEDRM
CC#CCS(=O)(=O)[N-]C(=O)c1cccc2c[nH]nc21	ZINC000791111741	640445749	/nfs/dbraw/zinc/44/57/49/640445749.db2.gz	XIMWEXKBHOZBEU-UHFFFAOYSA-N	-1	0	277.305	0.646	20	30		CCEDRM
C#CCCCC(=O)[N-]S(=O)(=O)c1cnc2n1CCC2	ZINC000802210610	640691183	/nfs/dbraw/zinc/69/11/83/640691183.db2.gz	NQOAUBKYARDQJU-UHFFFAOYSA-N	-1	0	281.337	0.438	20	30		CCEDRM
N#CC1(CS(=O)(=O)[N-]C(=O)C2(CCF)CC2)CC1	ZINC000810669551	640943501	/nfs/dbraw/zinc/94/35/01/640943501.db2.gz	VZWYNCOQDUJYIE-UHFFFAOYSA-N	-1	0	274.317	0.876	20	30		CCEDRM
Cn1cc(C(=O)[N-]S(=O)(=O)CCCC#N)c(C2CC2)n1	ZINC000810656438	640943854	/nfs/dbraw/zinc/94/38/54/640943854.db2.gz	HEFGCJUTNRGEKU-UHFFFAOYSA-N	-1	0	296.352	0.661	20	30		CCEDRM
N#Cc1cccc(C(=O)[N-]S(=O)(=O)C2CCC2)n1	ZINC000810722350	640947883	/nfs/dbraw/zinc/94/78/83/640947883.db2.gz	SPTYWCQSLMWFML-UHFFFAOYSA-N	-1	0	265.294	0.565	20	30		CCEDRM
CC#CCS(=O)(=O)[N-]C(=O)C(C)(Cl)Cl	ZINC000810775314	640949244	/nfs/dbraw/zinc/94/92/44/640949244.db2.gz	ARTKDWUCYDZPMU-UHFFFAOYSA-N	-1	0	258.126	0.650	20	30		CCEDRM
O=C1[N-]C(=O)C(=NNc2cc(F)cc(F)c2)C(=O)N1	ZINC000814220224	641060320	/nfs/dbraw/zinc/06/03/20/641060320.db2.gz	VASBFYCHFSTYLR-UHFFFAOYSA-N	-1	0	268.179	0.099	20	30		CCEDRM
O=c1[n-][nH]c(=O)n1N=Cc1c[nH]c(C(F)(F)F)c1	ZINC000814231551	641061033	/nfs/dbraw/zinc/06/10/33/641061033.db2.gz	IMIZYZRDRIYGKI-UHFFFAOYSA-N	-1	0	261.163	0.918	20	30		CCEDRM
Cc1cc2ccccc2[nH]c1=NN=C1C(=O)[N-]C(=O)NC1=O	ZINC000814226665	641061582	/nfs/dbraw/zinc/06/15/82/641061582.db2.gz	ZSFDSKMZWLPREZ-UHFFFAOYSA-N	-1	0	297.274	0.677	20	30		CCEDRM
Cn1cc(C=Nn2c(=O)[n-][nH]c2=O)c(-c2ccccc2)n1	ZINC000814233190	641062027	/nfs/dbraw/zinc/06/20/27/641062027.db2.gz	FLUYMPYCXNBCSO-UHFFFAOYSA-N	-1	0	284.279	0.972	20	30		CCEDRM
O=C([O-])CNN=Cc1cnn(Cc2ccccc2)c1	ZINC000814958831	641084674	/nfs/dbraw/zinc/08/46/74/641084674.db2.gz	VJXDWQSLVRPWII-UHFFFAOYSA-N	-1	0	258.281	0.940	20	30		CCEDRM
CO[C@H]1CCCC[C@@H]1C(=O)[N-]S(=O)(=O)CCCC#N	ZINC000816005506	641136497	/nfs/dbraw/zinc/13/64/97/641136497.db2.gz	OPBSMUOMVHMVKN-QWRGUYRKSA-N	-1	0	288.369	0.941	20	30		CCEDRM
O=C(N[C@@H]1CCCN(O)C1=O)c1cc([O-])ccc1[N+](=O)[O-]	ZINC000816754062	641209186	/nfs/dbraw/zinc/20/91/86/641209186.db2.gz	VWJGEWWBSWRIRP-SECBINFHSA-N	-1	0	295.251	0.410	20	30		CCEDRM
C[C@@](C#N)(CC(=O)[O-])C(=O)NCc1noc(C2CC2)n1	ZINC000819848980	641436272	/nfs/dbraw/zinc/43/62/72/641436272.db2.gz	WFMSRDCWNHDDSY-LBPRGKRZSA-N	-1	0	278.268	0.568	20	30		CCEDRM
C[C@H](C#N)CNC(=O)C(=O)Nc1ccccc1C(=O)[O-]	ZINC000819874742	641437413	/nfs/dbraw/zinc/43/74/13/641437413.db2.gz	QDTXURPOEUUSFW-MRVPVSSYSA-N	-1	0	275.264	0.599	20	30		CCEDRM
O=C(N[C@H]1CCN(O)C1=O)c1cc(F)c(F)c([O-])c1F	ZINC000820185940	641482997	/nfs/dbraw/zinc/48/29/97/641482997.db2.gz	RVRAQDPGJZPJDM-LURJTMIESA-N	-1	0	290.197	0.529	20	30		CCEDRM
N#CCCS(=O)(=O)[N-]C(=O)CCc1ccccc1	ZINC000821582849	641611343	/nfs/dbraw/zinc/61/13/43/641611343.db2.gz	ZOUXUWSSLATACD-UHFFFAOYSA-N	-1	0	266.322	0.979	20	30		CCEDRM
N#C[C@H](NC(=O)c1ccc2oc(=O)nc-2[n-]1)C1CC1	ZINC000826937441	641969947	/nfs/dbraw/zinc/96/99/47/641969947.db2.gz	NJSNVNYHDCMVKG-QMMMGPOBSA-N	-1	0	258.237	0.960	20	30		CCEDRM
CC(C)(C#N)C[N-]S(=O)(=O)N=S1(=O)CCCC1	ZINC000867081402	642532056	/nfs/dbraw/zinc/53/20/56/642532056.db2.gz	YZNDCQAQOLSAEX-UHFFFAOYSA-N	-1	0	279.387	0.632	20	30		CCEDRM
N#CCN(CC(=O)[O-])CC(=O)Nc1ccc(C#N)cc1	ZINC000833066999	642533688	/nfs/dbraw/zinc/53/36/88/642533688.db2.gz	NBAALGJGLQPZKX-UHFFFAOYSA-N	-1	0	272.264	0.407	20	30		CCEDRM
C#CCO[C@@H](C)C(=O)[N-]S(=O)(=O)CC1CCC1	ZINC000835249674	642654405	/nfs/dbraw/zinc/65/44/05/642654405.db2.gz	UHLPUCZFMBVWRQ-VIFPVBQESA-N	-1	0	259.327	0.271	20	30		CCEDRM
N#CCCS(=O)(=O)[N-]C(=O)Cc1cccc(F)c1F	ZINC000835409963	642660597	/nfs/dbraw/zinc/66/05/97/642660597.db2.gz	BXORPMYZCZXNRF-UHFFFAOYSA-N	-1	0	288.275	0.867	20	30		CCEDRM
O=S(=O)(O[C@H]1CNOC1)c1cc([O-])cc(F)c1	ZINC000867257686	642810166	/nfs/dbraw/zinc/81/01/66/642810166.db2.gz	ZFMOSRJABOPQPV-QMMMGPOBSA-N	-1	0	263.246	0.140	20	30		CCEDRM
Cc1ccc(C#N)cc1S(=O)(=O)[N-]N1CCCC1=O	ZINC000867594755	642997909	/nfs/dbraw/zinc/99/79/09/642997909.db2.gz	QYLUOKKTCJIOFK-UHFFFAOYSA-N	-1	0	279.321	0.682	20	30		CCEDRM
C#CC[C@H]1CCCN(C(=O)c2cnc([O-])n(C)c2=O)C1	ZINC000843998468	643140288	/nfs/dbraw/zinc/14/02/88/643140288.db2.gz	DFRUWUMODDOODO-JTQLQIEISA-N	-1	0	275.308	0.361	20	30		CCEDRM
C[C@H](C#N)CN(C)S(=O)(=O)N(CCC(=O)[O-])C1CC1	ZINC000844791651	643248393	/nfs/dbraw/zinc/24/83/93/643248393.db2.gz	KFTLVPGYDABGRR-SECBINFHSA-N	-1	0	289.357	0.262	20	30		CCEDRM
C[C@@H](CC#N)N(C)S(=O)(=O)N[C@@H](CC(=O)[O-])C1CC1	ZINC000844789034	643248690	/nfs/dbraw/zinc/24/86/90/643248690.db2.gz	IGVXHPLKIWJQPI-WPRPVWTQSA-N	-1	0	289.357	0.308	20	30		CCEDRM
C[C@@H](CC(=O)[N-]S(=O)(=O)CCCC#N)n1ccnc1	ZINC000845502813	643323759	/nfs/dbraw/zinc/32/37/59/643323759.db2.gz	OVIXESXMKFYDHD-JTQLQIEISA-N	-1	0	284.341	0.584	20	30		CCEDRM
CC#CC[C@H](NS(=O)(=O)N(C)C(C)C)C(=O)[O-]	ZINC000275024282	650841090	/nfs/dbraw/zinc/84/10/90/650841090.db2.gz	PDUZBKUQYVAMIT-VIFPVBQESA-N	-1	0	262.331	0.028	20	30		CCEDRM
O=C(N[C@@H]1CCCN(O)C1=O)c1cccc([O-])c1[N+](=O)[O-]	ZINC000848131854	643600971	/nfs/dbraw/zinc/60/09/71/643600971.db2.gz	DWYYWDDOLONRJO-MRVPVSSYSA-N	-1	0	295.251	0.410	20	30		CCEDRM
O=C(N[C@H]1CCCN(O)C1=O)c1cc([N+](=O)[O-])ccc1[O-]	ZINC000848136738	643606601	/nfs/dbraw/zinc/60/66/01/643606601.db2.gz	ZRBKQVPIOASSSE-VIFPVBQESA-N	-1	0	295.251	0.410	20	30		CCEDRM
Cn1ncc(C(=O)[O-])c1C=NNC(=S)NC1CC1	ZINC000848401030	643632730	/nfs/dbraw/zinc/63/27/30/643632730.db2.gz	RTQJJPNMOLBGLU-UHFFFAOYSA-N	-1	0	267.314	0.079	20	30		CCEDRM
O=C([O-])Cc1ccc(N=NC2CCS(=O)(=O)C2)cc1	ZINC000848414760	643633808	/nfs/dbraw/zinc/63/38/08/643633808.db2.gz	CMUOTDONDUIZKB-UHFFFAOYSA-N	-1	0	282.321	0.900	20	30		CCEDRM
C[C@@H](CNc1cccc(S(N)(=O)=O)c1C#N)C(=O)[O-]	ZINC000848638407	643664249	/nfs/dbraw/zinc/66/42/49/643664249.db2.gz	SDTTWGZMVJPHIW-ZETCQYMHSA-N	-1	0	283.309	0.338	20	30		CCEDRM
N#CC1(CS(=O)(=O)[N-]C(=O)C2CC3(CC3)C2)CC1	ZINC000850939909	643822970	/nfs/dbraw/zinc/82/29/70/643822970.db2.gz	FCPBDWFMMYIWJL-UHFFFAOYSA-N	-1	0	268.338	0.926	20	30		CCEDRM
N#CC1(CS(=O)(=O)[N-]C(=O)c2ncccc2F)CCC1	ZINC000850960561	643824366	/nfs/dbraw/zinc/82/43/66/643824366.db2.gz	KDAMJSQTDUJNNP-UHFFFAOYSA-N	-1	0	297.311	0.974	20	30		CCEDRM
Cc1ccoc1CC(=O)[N-]S(=O)(=O)CCC#N	ZINC000851016628	643826336	/nfs/dbraw/zinc/82/63/36/643826336.db2.gz	ZGHCABUCOFUYEY-UHFFFAOYSA-N	-1	0	256.283	0.490	20	30		CCEDRM
N#CCCCCS(=O)(=O)N[C@@H]1CC=C(C(=O)[O-])C1	ZINC000853069614	644072183	/nfs/dbraw/zinc/07/21/83/644072183.db2.gz	QDPAPIVXYNTXBE-SNVBAGLBSA-N	-1	0	272.326	0.773	20	30		CCEDRM
N#CCNC(=O)c1ccc(C[N-]C(=O)C(F)(F)F)o1	ZINC000858981022	644660531	/nfs/dbraw/zinc/66/05/31/644660531.db2.gz	JRNPZRBRQSOITC-UHFFFAOYSA-N	-1	0	275.186	0.711	20	30		CCEDRM
C[C@H]1O[C@@H](C)[C@@H](C)[C@@H]1C(=O)[N-]S(=O)(=O)CCC#N	ZINC000860753496	644827594	/nfs/dbraw/zinc/82/75/94/644827594.db2.gz	YEKBZFJFWUTOQB-RGOKHQFPSA-N	-1	0	274.342	0.406	20	30		CCEDRM
N#CCc1ccccc1S(=O)(=O)[N-]N1CCCC1=O	ZINC000867592727	645634813	/nfs/dbraw/zinc/63/48/13/645634813.db2.gz	JJJHLBCZTYZLHX-UHFFFAOYSA-N	-1	0	279.321	0.568	20	30		CCEDRM
N#CC(C(=O)N1CCCC1)=C([O-])c1cnc2nccn2c1	ZINC000870132516	645963856	/nfs/dbraw/zinc/96/38/56/645963856.db2.gz	IGQMLGPZBPSFTO-LLVKDONJSA-N	-1	0	283.291	0.674	20	30		CCEDRM
C[C@@H]1C[C@@H](C(=O)[N-]S(=O)(=O)CC2(C#N)CC2)[C@@H](C)O1	ZINC000870281181	645978192	/nfs/dbraw/zinc/97/81/92/645978192.db2.gz	FHGQYYZWJPUTKM-OPRDCNLKSA-N	-1	0	286.353	0.550	20	30		CCEDRM
Cn1nnc2c1C[C@H](C(=O)NOc1cccc(C#N)c1)CC2	ZINC000870689783	646017591	/nfs/dbraw/zinc/01/75/91/646017591.db2.gz	BIFOPYFWWXGLEU-LLVKDONJSA-N	-1	0	297.318	0.902	20	30		CCEDRM
C[C@H](C(=O)[N-]Oc1cccc(C#N)c1)N1C(=O)CCC1=O	ZINC000870693438	646018165	/nfs/dbraw/zinc/01/81/65/646018165.db2.gz	HQSKFOOXIMSBOT-SECBINFHSA-N	-1	0	287.275	0.506	20	30		CCEDRM
Cc1cccc(C#N)c1S(=O)(=O)N1CC[C@H](C(=O)[O-])C1	ZINC000871636417	646161185	/nfs/dbraw/zinc/16/11/85/646161185.db2.gz	KWLIBKHXUFTKAK-NSHDSACASA-N	-1	0	294.332	0.962	20	30		CCEDRM
Cn1ncc2c1ncn(N=Cc1ccccc1C(=O)[O-])c2=O	ZINC000874188149	646430189	/nfs/dbraw/zinc/43/01/89/646430189.db2.gz	LEFPTLSNKHBPKX-UHFFFAOYSA-N	-1	0	297.274	0.710	20	30		CCEDRM
N#CCNC(=O)c1ccc2c(c1)[n-]c(=S)[nH]c2=O	ZINC000125512140	646542985	/nfs/dbraw/zinc/54/29/85/646542985.db2.gz	COIXIPWZXVOFPK-UHFFFAOYSA-N	-1	0	260.278	0.465	20	30		CCEDRM
O=C(C#Cc1ccccc1)N1CCC[C@@H](c2nnn[n-]2)C1	ZINC000129377192	647362842	/nfs/dbraw/zinc/36/28/42/647362842.db2.gz	XMJBRDSXMGNYQI-CYBMUJFWSA-N	-1	0	281.319	0.957	20	30		CCEDRM
CS(=O)(=O)[N-]C(=O)Cc1ccc2c(c1)OCO2	ZINC000048863785	649326766	/nfs/dbraw/zinc/32/67/66/649326766.db2.gz	RDBZHXISFDBJAO-UHFFFAOYSA-N	-1	0	257.267	0.874	20	30		CCEDRM
C=CCN(CC(=O)[O-])C(=O)c1ccc(-n2ccnn2)cc1	ZINC000191261171	649470617	/nfs/dbraw/zinc/47/06/17/649470617.db2.gz	RHLIBYOGSKKCBZ-UHFFFAOYSA-N	-1	0	286.291	0.980	20	30		CCEDRM
C=CCN(CC(=O)[O-])C(=O)Cn1cc([N+](=O)[O-])nc1C	ZINC000191271778	649471019	/nfs/dbraw/zinc/47/10/19/649471019.db2.gz	BWQFBFZKJMQWSZ-UHFFFAOYSA-N	-1	0	282.256	0.199	20	30		CCEDRM
COCCNC(=O)C(C#N)=C([O-])c1cccc2c[nH]nc21	ZINC000193423698	649537975	/nfs/dbraw/zinc/53/79/75/649537975.db2.gz	MECHNPXEKJFZPN-LLVKDONJSA-N	-1	0	286.291	0.648	20	30		CCEDRM
CCCS(=O)(=O)[N-]C(=O)c1cc(C#N)cn1C	ZINC000083769661	649605685	/nfs/dbraw/zinc/60/56/85/649605685.db2.gz	MTTZTSIHZPDVJR-UHFFFAOYSA-N	-1	0	255.299	0.941	20	30		CCEDRM
C#CCN(CC(=O)[O-])C(=O)N(C)CC(F)(F)F	ZINC000092484469	649724266	/nfs/dbraw/zinc/72/42/66/649724266.db2.gz	CZCOBHZYVJLEKP-UHFFFAOYSA-N	-1	0	252.192	0.620	20	30		CCEDRM
CCO[C@@]1(C)C[C@H]1NC(=O)[C@@](C)(C#N)CC(=O)[O-]	ZINC001573918989	961515995	/nfs/dbraw/zinc/51/59/95/961515995.db2.gz	VGWAKBHIJVUETQ-FXAINCCUSA-N	-1	0	254.286	0.675	20	30		CCEDRM
C=C(CCC(=O)[O-])C(=O)N[C@@H]1CCS(=O)(=O)[C@@H]1C	ZINC001573337265	962864055	/nfs/dbraw/zinc/86/40/55/962864055.db2.gz	LVGLJQJXHOHXFP-RKDXNWHRSA-N	-1	0	275.326	0.099	20	30		CCEDRM
CN(C)S(=O)(=O)[N-]C(=O)c1ccc(C#N)cc1	ZINC000048869083	790998688	/nfs/dbraw/zinc/99/86/88/790998688.db2.gz	VMFYFWPTQSEJJF-UHFFFAOYSA-N	-1	0	253.283	0.669	20	30		CCEDRM
C=CCCC(=O)N(C)C[C@H]1CCN1Cc1n[nH]c(=O)[n-]1	ZINC001231170245	805743725	/nfs/dbraw/zinc/74/37/25/805743725.db2.gz	NZBZZRNLGIMPND-SNVBAGLBSA-N	-1	0	279.344	0.509	20	30		CCEDRM
C=CCN(CCOC)C(=O)N[C@H]1C[C@@H](C(=O)[O-])C1	ZINC000693360648	791153550	/nfs/dbraw/zinc/15/35/50/791153550.db2.gz	YKWCJZJVDJUYNJ-AOOOYVTPSA-N	-1	0	256.302	0.694	20	30		CCEDRM
N#Cc1cc(N[C@@H]2CO[N-]C2=O)nc(C(F)(F)F)c1	ZINC001167511116	791497109	/nfs/dbraw/zinc/49/71/09/791497109.db2.gz	QUDPYRPGVZWGAV-ZCFIWIBFSA-N	-1	0	272.186	0.814	20	30		CCEDRM
CC(=NO)c1ccc(OC(=O)[C@H](O)CC(=O)[O-])cc1	ZINC001234083620	806179776	/nfs/dbraw/zinc/17/97/76/806179776.db2.gz	PNBHGRCNBCEQFN-SNVBAGLBSA-N	-1	0	267.237	0.626	20	30		CCEDRM
NC(=O)c1ccc2nc(=O)[n-]c(O[C@H]3C=CC(=O)C3)c2c1	ZINC001234515059	806265864	/nfs/dbraw/zinc/26/58/64/806265864.db2.gz	CDWJLEQKHNVUGK-VIFPVBQESA-N	-1	0	285.259	0.711	20	30		CCEDRM
N#Cc1ccc([O-])c(CN2CCn3cnc(CO)c3C2)c1	ZINC001235508339	806439608	/nfs/dbraw/zinc/43/96/08/806439608.db2.gz	UERUEMPWENAJFB-UHFFFAOYSA-N	-1	0	284.319	0.968	20	30		CCEDRM
C=CCN(C(=O)c1c[n-]ncc1=O)[C@@H](C)COC	ZINC001120756788	798929599	/nfs/dbraw/zinc/92/95/99/798929599.db2.gz	OOZLZFAUQNSURO-VIFPVBQESA-N	-1	0	251.286	0.845	20	30		CCEDRM
CN(Cc1ccoc1)c1[n-]c(=O)n(C)c(=O)c1C#N	ZINC001120888182	798955778	/nfs/dbraw/zinc/95/57/78/798955778.db2.gz	BSLWDHYEVKTLDL-UHFFFAOYSA-N	-1	0	260.253	0.175	20	30		CCEDRM
C=CCNC(=O)C(C#N)=C([O-])c1ccc(C(N)=O)s1	ZINC001122406086	799225041	/nfs/dbraw/zinc/22/50/41/799225041.db2.gz	BLBMINXGWJUIJK-ZETCQYMHSA-N	-1	0	277.305	0.472	20	30		CCEDRM
N#CC(C(=O)N1CCCC1)=C([O-])c1ccc(C(N)=O)o1	ZINC001122499207	799250619	/nfs/dbraw/zinc/25/06/19/799250619.db2.gz	FIDMACIGZSXMDR-MRVPVSSYSA-N	-1	0	275.264	0.323	20	30		CCEDRM
COCCNC(=O)C(C#N)=C([O-])c1cnn(C2CCC2)c1	ZINC001122541644	799258769	/nfs/dbraw/zinc/25/87/69/799258769.db2.gz	YHBRQWLUKAGEIC-GFCCVEGCSA-N	-1	0	290.323	0.693	20	30		CCEDRM
N#CC(=C([O-])c1cn(C2CC2)nn1)c1ccncn1	ZINC001122657819	799281451	/nfs/dbraw/zinc/28/14/51/799281451.db2.gz	LXLGITJBQQOLGK-VIFPVBQESA-N	-1	0	254.253	0.893	20	30		CCEDRM
C=CCOC[C@H](NC(=O)c1cn(CCC)nc1C)C(=O)[O-]	ZINC001123380460	799400458	/nfs/dbraw/zinc/40/04/58/799400458.db2.gz	WNZIMKGOSZWRLN-LBPRGKRZSA-N	-1	0	295.339	0.987	20	30		CCEDRM
C=C(CC)C(=O)N1CCSC[C@@H]1c1nnn[n-]1	ZINC001123790227	799475099	/nfs/dbraw/zinc/47/50/99/799475099.db2.gz	QYSLTTSIGDQHQY-MRVPVSSYSA-N	-1	0	253.331	0.782	20	30		CCEDRM
N#CCc1ccsc1C(=O)NCc1nc(=O)o[n-]1	ZINC001137740430	799686314	/nfs/dbraw/zinc/68/63/14/799686314.db2.gz	HJPJEZLXWGBKPI-UHFFFAOYSA-N	-1	0	264.266	0.420	20	30		CCEDRM
O=C(N[C@H]1CCN(O)C1=O)c1cc(F)cc([N+](=O)[O-])c1	ZINC001141378306	800003327	/nfs/dbraw/zinc/00/33/27/800003327.db2.gz	QAZNCZJOQGWZFG-VIFPVBQESA-N	-1	0	283.215	0.454	20	30		CCEDRM
O=C(N[C@@H]1CCN(O)C1=O)c1sccc1-n1ccnn1	ZINC001141380421	800004142	/nfs/dbraw/zinc/00/41/42/800004142.db2.gz	PEHSULWZGVRFND-SSDOTTSWSA-N	-1	0	293.308	0.049	20	30		CCEDRM
C#CC[C@@H](NC(=O)c1s[n-]c(=O)c1Cl)C(=O)OC	ZINC001141998167	800055419	/nfs/dbraw/zinc/05/54/19/800055419.db2.gz	JYIDNVVTDCHAAN-RXMQYKEDSA-N	-1	0	288.712	0.797	20	30		CCEDRM
CC1(C#N)CN(C(=O)c2c[n-]c3cccnc3c2=O)C1	ZINC001153854084	800679557	/nfs/dbraw/zinc/67/95/57/800679557.db2.gz	KTVXGVVPNXKFSK-UHFFFAOYSA-N	-1	0	268.276	0.909	20	30		CCEDRM
N#Cc1nccnc1NCC[N-]C(=O)C(F)(F)F	ZINC001156199052	801128637	/nfs/dbraw/zinc/12/86/37/801128637.db2.gz	CADKJKRZJMRIGB-UHFFFAOYSA-N	-1	0	259.191	0.439	20	30		CCEDRM
N#Cc1c[nH]c2nc(NCC[N-]C(=O)C(F)(F)F)ncc12	ZINC001156204023	801129325	/nfs/dbraw/zinc/12/93/25/801129325.db2.gz	YFFFXYSYULESMZ-UHFFFAOYSA-N	-1	0	298.228	0.920	20	30		CCEDRM
N#Cc1c[nH]c2nc(NCC(=O)CCC(=O)[O-])ncc12	ZINC001160874589	802038273	/nfs/dbraw/zinc/03/82/73/802038273.db2.gz	QICLFDRBBYBPLN-UHFFFAOYSA-N	-1	0	273.252	0.675	20	30		CCEDRM
C=CCS(=O)(=O)[N-]c1c(Cl)nccc1C(N)=O	ZINC001259922356	808804176	/nfs/dbraw/zinc/80/41/76/808804176.db2.gz	CFUFCXSTEHFLLR-UHFFFAOYSA-N	-1	0	275.717	0.762	20	30		CCEDRM
COCCS(=O)(=O)[N-]c1c(C#N)cnn1C(C)C	ZINC001259966093	808829732	/nfs/dbraw/zinc/82/97/32/808829732.db2.gz	JPPUSZNEABLKEY-UHFFFAOYSA-N	-1	0	272.330	0.724	20	30		CCEDRM
Cc1nnc(C(=O)Nc2nc(C#N)c(C#N)[n-]2)s1	ZINC001163738886	802602270	/nfs/dbraw/zinc/60/22/70/802602270.db2.gz	XKELVTMUFCHJOD-UHFFFAOYSA-N	-1	0	259.254	0.565	20	30		CCEDRM
C=C(C)CO[N-]C(=O)[C@H]1CN(C(=O)C(C)(C)C)CCO1	ZINC001164456390	802744748	/nfs/dbraw/zinc/74/47/48/802744748.db2.gz	YLQGHQWVNYGRGT-LLVKDONJSA-N	-1	0	284.356	0.884	20	30		CCEDRM
CC1(C)CC(=O)C=C(n2nc3c(=N)ncnc-3[n-]2)C1	ZINC001210149821	803639806	/nfs/dbraw/zinc/63/98/06/803639806.db2.gz	GOZHAAQHAFNQHL-UHFFFAOYSA-N	-1	0	258.285	0.815	20	30		CCEDRM
N#Cc1cc(NC(=N[O-])c2nonc2N)ccc1O	ZINC001210526841	803653311	/nfs/dbraw/zinc/65/33/11/803653311.db2.gz	CKXNJWAFJKVGPI-UHFFFAOYSA-N	-1	0	260.213	0.477	20	30		CCEDRM
Nc1nonc1C(=Nc1cc(F)c(F)c(C(=O)[O-])c1)NO	ZINC001215457552	803810445	/nfs/dbraw/zinc/81/04/45/803810445.db2.gz	GNGUCHCRJDDCNK-UHFFFAOYSA-N	-1	0	299.193	0.685	20	30		CCEDRM
C#CCN(CC#CC)S(=O)(=O)[C@@H]1CCCC[C@@H]1C(=O)[O-]	ZINC001465111315	804115049	/nfs/dbraw/zinc/11/50/49/804115049.db2.gz	VSSSVNOGFYNFLX-QWHCGFSZSA-N	-1	0	297.376	0.918	20	30		CCEDRM
C=CCOC[C@@H](CS(=O)(=O)[O-])OCC[C@@H]1CCOC1	ZINC001224704713	805070631	/nfs/dbraw/zinc/07/06/31/805070631.db2.gz	ONLPGMRBQCNCKG-RYUDHWBXSA-N	-1	0	294.369	0.889	20	30		CCEDRM
CCC1=C(OCCCS(=O)(=O)[O-])C(=O)[C@@H](C)O1	ZINC001224894241	805089994	/nfs/dbraw/zinc/08/99/94/805089994.db2.gz	RECLKMWDEWNTCL-SSDOTTSWSA-N	-1	0	264.299	0.890	20	30		CCEDRM
C=CCOC[C@@H](CS(=O)(=O)[O-])OCCCF	ZINC001225157371	805110993	/nfs/dbraw/zinc/11/09/93/805110993.db2.gz	GUGDHOWHHIEAJI-VIFPVBQESA-N	-1	0	256.295	0.822	20	30		CCEDRM
C=CCOC[C@@H](CS(=O)(=O)[O-])Oc1cc[nH]n1	ZINC001226424898	805228942	/nfs/dbraw/zinc/22/89/42/805228942.db2.gz	RHJYCXFBRZHKGS-QMMMGPOBSA-N	-1	0	262.287	0.248	20	30		CCEDRM
C[C@H](CS)Oc1[n-]c(=O)nc2c(=O)[n-]c(=O)[nH]c12	ZINC001226886489	805289940	/nfs/dbraw/zinc/28/99/40/805289940.db2.gz	NOSJDQWIQGRKRX-GSVOUGTGSA-N	-1	0	270.270	0.234	20	30		CCEDRM
CC#C[C@H](CC)Oc1[n-]c(=O)nc2c(=O)[n-]c(=O)[nH]c12	ZINC001226884780	805291437	/nfs/dbraw/zinc/29/14/37/805291437.db2.gz	CJUSOPVONAKWNT-LURJTMIESA-N	-1	0	276.252	0.717	20	30		CCEDRM
CC(=O)c1cc(C#N)ccc1OC(=O)[C@@H](O)CC(=O)[O-]	ZINC001226974401	805301332	/nfs/dbraw/zinc/30/13/32/805301332.db2.gz	DYMTWKRIJIRZDQ-JTQLQIEISA-N	-1	0	277.232	0.502	20	30		CCEDRM
CC(=O)c1cc(C#N)ccc1OC(=O)[C@H](O)CC(=O)[O-]	ZINC001226974402	805301547	/nfs/dbraw/zinc/30/15/47/805301547.db2.gz	DYMTWKRIJIRZDQ-SNVBAGLBSA-N	-1	0	277.232	0.502	20	30		CCEDRM
C=CCOC[C@@H](CS(=O)(=O)[O-])Oc1nccs1	ZINC001227040375	805312273	/nfs/dbraw/zinc/31/22/73/805312273.db2.gz	PQQBBACQPXVARK-QMMMGPOBSA-N	-1	0	279.339	0.981	20	30		CCEDRM
CSc1ncc(C#N)c(OC(=O)[C@H](O)CCC(=O)[O-])n1	ZINC001228683858	805469051	/nfs/dbraw/zinc/46/90/51/805469051.db2.gz	XKSHMFVPPNSVRE-SSDOTTSWSA-N	-1	0	297.292	0.201	20	30		CCEDRM
C#C[C@@H](Oc1nc(OC)cc(=O)[n-]1)C(=O)OCC	ZINC001228919113	805489887	/nfs/dbraw/zinc/48/98/87/805489887.db2.gz	VOWFYHVUUSELCW-SSDOTTSWSA-N	-1	0	252.226	0.135	20	30		CCEDRM
N#CCN1CC[C@H](Oc2cc(O)cc([O-])c2[N+](=O)[O-])C1	ZINC001228971900	805494602	/nfs/dbraw/zinc/49/46/02/805494602.db2.gz	SPBCUGIQUWXGEX-VIFPVBQESA-N	-1	0	279.252	0.983	20	30		CCEDRM
CC[C@H](C#CC(=O)OC)Oc1[nH]c(=O)[n-]c(=O)c1F	ZINC001229123300	805505261	/nfs/dbraw/zinc/50/52/61/805505261.db2.gz	CKSDTFAIWWAOSA-ZCFIWIBFSA-N	-1	0	270.216	0.361	20	30		CCEDRM
C=C[C@@H]1O[C@@H](Oc2ncnc(=O)[n-]2)[C@H]2OC(C)(C)O[C@@H]12	ZINC001229608635	805544325	/nfs/dbraw/zinc/54/43/25/805544325.db2.gz	CKVZRNAMAGCRAF-JBDRJPRFSA-N	-1	0	281.268	0.387	20	30		CCEDRM
COc1cc(-c2cnn(CC(=O)[O-])c2)ncc1C#N	ZINC001242180736	806994088	/nfs/dbraw/zinc/99/40/88/806994088.db2.gz	UVFDECVGKJNQCT-UHFFFAOYSA-N	-1	0	258.237	0.910	20	30		CCEDRM
Nc1nonc1C(=Nc1c([O-])cccc1F)NO	ZINC001249989200	807582881	/nfs/dbraw/zinc/58/28/81/807582881.db2.gz	OBKBSOQFKQMVCJ-UHFFFAOYSA-N	-1	0	253.193	0.554	20	30		CCEDRM
C[C@@H]1C[C@@H]1C(=O)N=C1NS(=O)(=O)c2ccccc21	ZINC001251141087	807669064	/nfs/dbraw/zinc/66/90/64/807669064.db2.gz	OBHVEIFWAYQOKL-APPZFPTMSA-N	-1	0	264.306	0.908	20	30		CCEDRM
N#Cc1ncc([N-]S(=O)(=O)C(F)(F)F)cn1	ZINC001252287506	807803131	/nfs/dbraw/zinc/80/31/31/807803131.db2.gz	YGTLASOLSPLONJ-UHFFFAOYSA-N	-1	0	252.177	0.610	20	30		CCEDRM
C#CCCN1CCC[C@H]([N-]S(=O)(=O)C(F)(F)F)C1=O	ZINC001252391889	807818696	/nfs/dbraw/zinc/81/86/96/807818696.db2.gz	ZEVKHHKEVIPAIH-QMMMGPOBSA-N	-1	0	298.286	0.440	20	30		CCEDRM
COC(=O)CS(=O)(=O)[N-]c1cc(OC)ccc1C#N	ZINC001259024806	808722388	/nfs/dbraw/zinc/72/23/88/808722388.db2.gz	GSHPXDDBVUNOLF-UHFFFAOYSA-N	-1	0	284.293	0.482	20	30		CCEDRM
COC(=O)CS(=O)(=O)[N-]c1cccc(OC)c1C#N	ZINC001259026074	808723649	/nfs/dbraw/zinc/72/36/49/808723649.db2.gz	HMPIDVNITPHOHC-UHFFFAOYSA-N	-1	0	284.293	0.482	20	30		CCEDRM
CCOC(=O)[C@H](C#N)[N-]S(=O)(=O)CCc1ccccc1	ZINC001259741414	808767914	/nfs/dbraw/zinc/76/79/14/808767914.db2.gz	WNWQRVPMZNUSQH-LBPRGKRZSA-N	-1	0	296.348	0.604	20	30		CCEDRM
CCn1cc(S(=O)(=O)[N-]c2ncn(C)c2C#N)cn1	ZINC001259833146	808782245	/nfs/dbraw/zinc/78/22/45/808782245.db2.gz	JYPGDUZLFPMBLI-UHFFFAOYSA-N	-1	0	280.313	0.309	20	30		CCEDRM
CCn1cc(S(=O)(=O)[N-]c2cncc(C#N)n2)cn1	ZINC001259832092	808782463	/nfs/dbraw/zinc/78/24/63/808782463.db2.gz	DYTLKCWMBXHIQD-UHFFFAOYSA-N	-1	0	278.297	0.365	20	30		CCEDRM
CC(C)CS(=O)(=O)[N-]c1c(C#N)cnc2ccnn21	ZINC001259878099	808790305	/nfs/dbraw/zinc/79/03/05/808790305.db2.gz	DLHAJKQPWXSQLE-UHFFFAOYSA-N	-1	0	279.325	0.999	20	30		CCEDRM
Cc1nn(C)c(C)c1S(=O)(=O)[N-]c1cncc(C#N)n1	ZINC001260104907	808851630	/nfs/dbraw/zinc/85/16/30/808851630.db2.gz	DSXKEBSSKVGBSD-UHFFFAOYSA-N	-1	0	292.324	0.499	20	30		CCEDRM
C#CC1(NS(=O)(=O)c2cc(C(=O)[O-])ccc2F)CC1	ZINC001260218498	808857350	/nfs/dbraw/zinc/85/73/50/808857350.db2.gz	JSEBGTWRHDDZPU-UHFFFAOYSA-N	-1	0	283.280	0.968	20	30		CCEDRM
N#CC1CC(NS(=O)(=O)c2ccc(C(=O)[O-])cc2)C1	ZINC001260232519	808858225	/nfs/dbraw/zinc/85/82/25/808858225.db2.gz	SKGZYDROHITAEF-UHFFFAOYSA-N	-1	0	280.305	0.965	20	30		CCEDRM
Cc1noc([N-]S(=O)(=O)c2cn(C)c(C)n2)c1C#N	ZINC001260541708	808862417	/nfs/dbraw/zinc/86/24/17/808862417.db2.gz	MBIVPCNLEZMMSJ-UHFFFAOYSA-N	-1	0	281.297	0.697	20	30		CCEDRM
CS(=O)(=O)CS(=O)(=O)[N-]c1ccc(C#N)s1	ZINC001260585235	808869898	/nfs/dbraw/zinc/86/98/98/808869898.db2.gz	UXDAOIPIRXWQGL-UHFFFAOYSA-N	-1	0	280.352	0.364	20	30		CCEDRM
CCCCCCCS(=O)(=O)NCc1nc(=O)o[n-]1	ZINC001261200639	808925943	/nfs/dbraw/zinc/92/59/43/808925943.db2.gz	FUCCEFOXBSNYTR-UHFFFAOYSA-N	-1	0	277.346	0.753	20	30		CCEDRM
CCO[N-]C(=O)CNC(=O)c1ccc(C#N)c(C)n1	ZINC001261525599	809008646	/nfs/dbraw/zinc/00/86/46/809008646.db2.gz	IWCOEZFKAQBZRF-UHFFFAOYSA-N	-1	0	262.269	0.059	20	30		CCEDRM
COc1cc(C([O-])=C(C#N)c2nccn2C)nn1C	ZINC001263332641	809511770	/nfs/dbraw/zinc/51/17/70/809511770.db2.gz	VEYCZZFKTISVEO-QMMMGPOBSA-N	-1	0	259.269	0.652	20	30		CCEDRM
N#CC(C(=O)NC1CCCC1)=C([O-])c1c[nH]c(C(N)=O)c1	ZINC001263375230	809514451	/nfs/dbraw/zinc/51/44/51/809514451.db2.gz	IWYRRWJFJDUGRX-JTQLQIEISA-N	-1	0	288.307	0.495	20	30		CCEDRM
C=C[C@](C)(CCOC)C(=O)N1CC[C@H](c2nnn[n-]2)C1	ZINC001263886444	809599560	/nfs/dbraw/zinc/59/95/60/809599560.db2.gz	KCZTYTCQSJKPND-GXFFZTMASA-N	-1	0	279.344	0.744	20	30		CCEDRM
CC[C@@H](C#CC(=O)OC)Oc1nc(C(=O)OC)cc(=O)[n-]1	ZINC001225731563	813498431	/nfs/dbraw/zinc/49/84/31/813498431.db2.gz	ZZJJYOOFVIRWFP-QMMMGPOBSA-N	-1	0	294.263	0.303	20	30		CCEDRM
C=CCC[N@@H+]1C[C@@H](NC(=O)c2ncccc2O)[C@@H](O)C1	ZINC001083423680	814441879	/nfs/dbraw/zinc/44/18/79/814441879.db2.gz	HPFBOMZYHWIZBB-PWSUYJOCSA-N	-1	0	277.324	0.138	20	30		CCEDRM
C=CCN1C(=O)CC[C@@H]2[C@H]1CCN2C(=O)c1cc(=O)[nH][n-]1	ZINC001272283077	816252839	/nfs/dbraw/zinc/25/28/39/816252839.db2.gz	OLTAOVXVZYMDRN-GHMZBOCLSA-N	-1	0	290.323	0.507	20	30		CCEDRM
Cc1[nH]nc(C(=O)N(C)[C@@H]2CCN(CC#N)C2)c1[O-]	ZINC001033008067	818418423	/nfs/dbraw/zinc/41/84/23/818418423.db2.gz	DWYNLYSXWXKTTB-SECBINFHSA-N	-1	0	263.301	0.094	20	30		CCEDRM
C#CC1(O)CCN(S(=O)(=O)c2ccccc2[O-])CC1	ZINC000707985742	819751925	/nfs/dbraw/zinc/75/19/25/819751925.db2.gz	JFMHGYBDEFJTHG-UHFFFAOYSA-N	-1	0	281.333	0.541	20	30		CCEDRM
CC#CCN1CC[C@@H]1CN(C)C(=O)c1n[nH]c(C)c1[O-]	ZINC001085544186	821779058	/nfs/dbraw/zinc/77/90/58/821779058.db2.gz	MHAIWYWLNDSELG-LLVKDONJSA-N	-1	0	276.340	0.593	20	30		CCEDRM
CN1CCO[C@@H](CNC(=O)CCC(=O)C2=CC=C[CH]2)C1	ZINC001184244621	844187168	/nfs/dbraw/zinc/18/71/68/844187168.db2.gz	SKACNTBEJYCQKB-ZDUSSCGKSA-N	-1	0	277.344	0.483	20	30		CCEDRM
CN1CCO[C@H]2CN(C(=O)CCC(=O)C3=CC=C[CH]3)C[C@H]21	ZINC001184244097	844187449	/nfs/dbraw/zinc/18/74/49/844187449.db2.gz	GWCCKZAFRRTQNA-HIFRSBDPSA-N	-1	0	289.355	0.578	20	30		CCEDRM
C[C@@H](NC(=O)c1cn[nH]n1)[C@H](C)Nc1ccncc1C#N	ZINC001113356653	837097770	/nfs/dbraw/zinc/09/77/70/837097770.db2.gz	KJQLVKRZFCUTLX-DTWKUNHWSA-N	-1	0	285.311	0.112	20	30		CCEDRM
N#C[C@@H](Nc1cc(Br)cc(C(=O)[O-])c1)C(N)=O	ZINC001170535723	837981496	/nfs/dbraw/zinc/98/14/96/837981496.db2.gz	JFGZXYRAPXXRNL-MRVPVSSYSA-N	-1	0	298.096	0.937	20	30		CCEDRM
CCOC(=O)c1sc(S(=O)(=O)[N-]CC#N)nc1C	ZINC001184965940	844315844	/nfs/dbraw/zinc/31/58/44/844315844.db2.gz	LGWKNJUEZSIUSK-UHFFFAOYSA-N	-1	0	289.338	0.430	20	30		CCEDRM
C#Cc1cc(=NC(=O)c2nc(SC)ncc2[O-])cc[nH]1	ZINC001185161961	844351465	/nfs/dbraw/zinc/35/14/65/844351465.db2.gz	XBERAVNEXHJOBF-UHFFFAOYSA-N	-1	0	286.316	0.955	20	30		CCEDRM
C=CC[C@@H](C)C(=O)N[C@@H](CCC(=O)[O-])C(=O)OC	ZINC001144028319	839916749	/nfs/dbraw/zinc/91/67/49/839916749.db2.gz	WCMGGLXEDJXNAC-BDAKNGLRSA-N	-1	0	257.286	0.721	20	30		CCEDRM
C=C[C@H](C)O[N-]C(=O)CNC(=O)c1cccc(O)c1	ZINC001144589227	840093435	/nfs/dbraw/zinc/09/34/35/840093435.db2.gz	JSXYPHTZPOPHEU-VIFPVBQESA-N	-1	0	264.281	0.744	20	30		CCEDRM
NC(=NC(=O)c1cc(=O)n(-c2ccccc2)[n-]1)c1ncc[nH]1	ZINC001147889980	840703838	/nfs/dbraw/zinc/70/38/38/840703838.db2.gz	VMYHERSGGXKSRL-UHFFFAOYSA-N	-1	0	296.290	0.435	20	30		CCEDRM
Cc1n[nH]c(C(=O)NC[C@@H]2CN(CC#N)C[C@H]2C)c1[O-]	ZINC001092548281	841038532	/nfs/dbraw/zinc/03/85/32/841038532.db2.gz	JHWBRWWIXHDBPO-PSASIEDQSA-N	-1	0	277.328	0.245	20	30		CCEDRM
C=CCN(CC(=O)[O-])C(=O)NC[C@H]1C[C@H](OC)C1	ZINC000714625518	841217029	/nfs/dbraw/zinc/21/70/29/841217029.db2.gz	LJELYUFPMRMUHP-MGCOHNPYSA-N	-1	0	256.302	0.694	20	30		CCEDRM
CN(C)c1ccc(NC(=N[O-])c2nonc2N)cc1	ZINC001174875862	842216126	/nfs/dbraw/zinc/21/61/26/842216126.db2.gz	SEQZFZGEQOBOFM-UHFFFAOYSA-N	-1	0	262.273	0.966	20	30		CCEDRM
CC(C)(C#N)c1ccc(NC(=O)Cc2nnn[n-]2)cn1	ZINC001176838536	842425221	/nfs/dbraw/zinc/42/52/21/842425221.db2.gz	YZZPCYGCYFHJLC-UHFFFAOYSA-N	-1	0	271.284	0.577	20	30		CCEDRM
C#CCCCNC(=O)C(F)(F)C(F)(F)C(=O)[O-]	ZINC001180176047	843111010	/nfs/dbraw/zinc/11/10/10/843111010.db2.gz	JJQMXJZYXRQQGW-UHFFFAOYSA-N	-1	0	255.167	0.871	20	30		CCEDRM
N#C[C@@H]1CNCCN1C(=O)C1(C(=O)[O-])CCCCC1	ZINC001180434856	843167308	/nfs/dbraw/zinc/16/73/08/843167308.db2.gz	QKMDAZWMFQLBEQ-SNVBAGLBSA-N	-1	0	265.313	0.345	20	30		CCEDRM
N#Cc1cc(CC(=O)NCC(=O)CCC(=O)[O-])ccc1F	ZINC001181194400	843422142	/nfs/dbraw/zinc/42/21/42/843422142.db2.gz	KFWCJQSPLATPTG-UHFFFAOYSA-N	-1	0	292.266	0.790	20	30		CCEDRM
Cc1oncc1S(=O)(=O)[N-]c1cnc(C#N)nc1	ZINC001187333255	844698187	/nfs/dbraw/zinc/69/81/87/844698187.db2.gz	GZXARCGSSYHELZ-UHFFFAOYSA-N	-1	0	265.254	0.446	20	30		CCEDRM
COc1ccc(C#N)c(C(=O)N[C@H]2SC(=O)[N-]C2=O)c1	ZINC001189097072	845049380	/nfs/dbraw/zinc/04/93/80/845049380.db2.gz	PAGIYAAXBLSING-NSHDSACASA-N	-1	0	291.288	0.606	20	30		CCEDRM
N#Cc1cc(N)c(NC(=O)c2cn[nH]n2)cc1C#N	ZINC001189352151	845123753	/nfs/dbraw/zinc/12/37/53/845123753.db2.gz	ULHQXOCGBJODIX-UHFFFAOYSA-N	-1	0	253.225	0.383	20	30		CCEDRM
O=C1C=C2CN(S(=O)(=O)c3ncc[n-]3)CC[C@H]2S1	ZINC001190699382	845457513	/nfs/dbraw/zinc/45/75/13/845457513.db2.gz	XVALLVJBEPWMHJ-MRVPVSSYSA-N	-1	0	285.350	0.373	20	30		CCEDRM
N#CCS(=O)(=O)[N-]c1nsc2ncccc12	ZINC001192938548	845941695	/nfs/dbraw/zinc/94/16/95/845941695.db2.gz	FTVLXVDXWXNFDS-UHFFFAOYSA-N	-1	0	254.296	0.957	20	30		CCEDRM
CCOC(=O)Cc1cccc([N-]S(=O)(=O)CC#N)n1	ZINC001192938431	845941840	/nfs/dbraw/zinc/94/18/40/845941840.db2.gz	CTORMUTYMSQLSM-UHFFFAOYSA-N	-1	0	283.309	0.452	20	30		CCEDRM
Cc1cnn2cc([N-]S(=O)(=O)CC#N)cnc12	ZINC001192939097	845943464	/nfs/dbraw/zinc/94/34/64/845943464.db2.gz	LCAVZLGUCSYLPR-UHFFFAOYSA-N	-1	0	251.271	0.303	20	30		CCEDRM
COC(=O)c1ccc(F)c([N-]S(=O)(=O)CC#N)c1	ZINC001192980081	845962517	/nfs/dbraw/zinc/96/25/17/845962517.db2.gz	BNYIBIRUUNSFOT-UHFFFAOYSA-N	-1	0	272.257	0.878	20	30		CCEDRM
N#C[C@H](NC(=O)c1cc(Cl)nc(Cl)c1[O-])C(N)=O	ZINC001193101608	845976238	/nfs/dbraw/zinc/97/62/38/845976238.db2.gz	XGNGPPKWSYTGHO-BYPYZUCNSA-N	-1	0	289.078	0.201	20	30		CCEDRM
C[C@H](C#N)S(=O)(=O)[N-]c1cncnc1Br	ZINC001193103832	845977091	/nfs/dbraw/zinc/97/70/91/845977091.db2.gz	BWJIPRWJMFXBIF-RXMQYKEDSA-N	-1	0	291.130	0.893	20	30		CCEDRM
CC(=O)c1ccncc1[N-]S(=O)(=O)[C@H](C)C#N	ZINC001193104966	845979117	/nfs/dbraw/zinc/97/91/17/845979117.db2.gz	PETXGEDZQMLCRR-SSDOTTSWSA-N	-1	0	253.283	0.938	20	30		CCEDRM
COC(=O)c1c([N-]S(=O)(=O)[C@@H](C)C#N)cncc1OC	ZINC001193112326	845981016	/nfs/dbraw/zinc/98/10/16/845981016.db2.gz	RBOJOWPEDPHNIE-ZETCQYMHSA-N	-1	0	299.308	0.531	20	30		CCEDRM
CC(=O)c1nn(C)cc1[N-]S(=O)(=O)[C@@H](C)C#N	ZINC001193111196	845981111	/nfs/dbraw/zinc/98/11/11/845981111.db2.gz	DCHGMHHTFXPDHW-LURJTMIESA-N	-1	0	256.287	0.276	20	30		CCEDRM
Cc1nnc2ccc([N-]S(=O)(=O)[C@@H](C)C#N)cn12	ZINC001193111432	845981372	/nfs/dbraw/zinc/98/13/72/845981372.db2.gz	GVAIHEVHILTWPH-ZETCQYMHSA-N	-1	0	265.298	0.692	20	30		CCEDRM
COc1nc([N-]S(=O)(=O)[C@H](C)C#N)c(C)c(OC)n1	ZINC001193111424	845981522	/nfs/dbraw/zinc/98/15/22/845981522.db2.gz	GRVCLAPMDKMTNX-ZCFIWIBFSA-N	-1	0	286.313	0.456	20	30		CCEDRM
CC(=O)c1cccc([N-]S(=O)(=O)[C@H](C)C#N)n1	ZINC001193112751	845982728	/nfs/dbraw/zinc/98/27/28/845982728.db2.gz	VFORMMODABTGRU-SSDOTTSWSA-N	-1	0	253.283	0.938	20	30		CCEDRM
COC(=O)Cc1ccc(O)c([N-]S(=O)(=O)[C@@H](C)C#N)c1	ZINC001193145738	846004798	/nfs/dbraw/zinc/00/47/98/846004798.db2.gz	AJIGWMSALMTNLT-QMMMGPOBSA-N	-1	0	298.320	0.761	20	30		CCEDRM
C[C@H](C#N)S(=O)(=O)[N-]c1ccc2c(c1)NC(=O)C2=O	ZINC001193158975	846007616	/nfs/dbraw/zinc/00/76/16/846007616.db2.gz	XPMGVGQBPWCKTD-ZCFIWIBFSA-N	-1	0	279.277	0.475	20	30		CCEDRM
C[C@H](C#N)S(=O)(=O)[N-]c1ccc(C(N)=O)c(F)c1	ZINC001193160909	846009874	/nfs/dbraw/zinc/00/98/74/846009874.db2.gz	KNTRYUKLKPMKLK-ZCFIWIBFSA-N	-1	0	271.273	0.578	20	30		CCEDRM
C[C@H](C#N)S(=O)(=O)[N-][C@H]1Oc2ccc(CCO)cc2O1	ZINC001193192811	846013684	/nfs/dbraw/zinc/01/36/84/846013684.db2.gz	GDNXQKPVWQKFKM-PELKAZGASA-N	-1	0	298.320	0.108	20	30		CCEDRM
COC(=O)[C@@](C)([N-]S(=O)(=O)[C@@H](C)C#N)C(F)(F)F	ZINC001193186538	846029087	/nfs/dbraw/zinc/02/90/87/846029087.db2.gz	YUQHWSOBDIKYGY-CAHLUQPWSA-N	-1	0	288.247	0.312	20	30		CCEDRM
C=CCOC(=O)N[C@H]1CCCN(C(=O)c2cc(=O)[nH][n-]2)C1	ZINC001193470130	846085985	/nfs/dbraw/zinc/08/59/85/846085985.db2.gz	VFMCMHBILDHXCB-VIFPVBQESA-N	-1	0	294.311	0.632	20	30		CCEDRM
CN1CCO[C@H]2CN(C(=O)c3ccc([O-])c(C#N)c3)C[C@H]21	ZINC001193506783	846101438	/nfs/dbraw/zinc/10/14/38/846101438.db2.gz	PHPRNTAWCBSKMO-OCCSQVGLSA-N	-1	0	287.319	0.419	20	30		CCEDRM
C[C@]1(CO)CN(C(=O)c2ccc([O-])c(C#N)c2)CC[C@H]1O	ZINC001193505084	846101467	/nfs/dbraw/zinc/10/14/67/846101467.db2.gz	CJDBRVKBCKHUAP-UKRRQHHQSA-N	-1	0	290.319	0.469	20	30		CCEDRM
N#Cc1cc(C(=O)NC[C@@H]2CCC(=O)N2)ccc1[O-]	ZINC001193512321	846102542	/nfs/dbraw/zinc/10/25/42/846102542.db2.gz	MIZKUHKDXANWIX-JTQLQIEISA-N	-1	0	259.265	0.272	20	30		CCEDRM
N#Cc1cc(C(=O)NC[C@H]2CNC(=O)O2)ccc1[O-]	ZINC001193518895	846103291	/nfs/dbraw/zinc/10/32/91/846103291.db2.gz	KWFVTXVRIZMLFJ-VIFPVBQESA-N	-1	0	261.237	0.102	20	30		CCEDRM
N#Cc1cccc(C(=O)N2CCN(CCF)CC2)c1[O-]	ZINC001193644110	846134877	/nfs/dbraw/zinc/13/48/77/846134877.db2.gz	PAYDNZIYGQSFPG-UHFFFAOYSA-N	-1	0	277.299	0.991	20	30		CCEDRM
CC(C)(CNC(=O)c1cccc(C#N)c1[O-])C(N)=O	ZINC001193658110	846140697	/nfs/dbraw/zinc/14/06/97/846140697.db2.gz	UCXOGIISYDKDPS-UHFFFAOYSA-N	-1	0	261.281	0.505	20	30		CCEDRM
C#CCN(C)S(=O)(=O)c1cc(C(=O)[O-])c(F)cc1F	ZINC001195219457	846482762	/nfs/dbraw/zinc/48/27/62/846482762.db2.gz	ZXSKOWPNTRJFGW-UHFFFAOYSA-N	-1	0	289.259	0.917	20	30		CCEDRM
C#CCNS(=O)(=O)c1cc(C(=O)[O-])c(F)cc1F	ZINC001195250499	846486286	/nfs/dbraw/zinc/48/62/86/846486286.db2.gz	ZJKLKNJRZHPNSY-UHFFFAOYSA-N	-1	0	275.232	0.575	20	30		CCEDRM
N#Cc1c(N)nn(C(=O)c2cc([O-])cnc2Cl)c1N	ZINC001195298274	846498365	/nfs/dbraw/zinc/49/83/65/846498365.db2.gz	TZQFYFLZJKMRIS-UHFFFAOYSA-N	-1	0	278.659	0.362	20	30		CCEDRM
N=C(c1ccccc1N)N(O)C(=O)c1cnccc1C(N)=O	ZINC001195439282	846529011	/nfs/dbraw/zinc/52/90/11/846529011.db2.gz	YENQKVAUZWOINH-UHFFFAOYSA-N	-1	0	299.290	0.620	20	30		CCEDRM
N#Cc1ccc(C(=O)NC2(CCO)COC2)c([O-])c1	ZINC001195764817	846614090	/nfs/dbraw/zinc/61/40/90/846614090.db2.gz	QQDQHZLZCKQPLH-UHFFFAOYSA-N	-1	0	262.265	0.145	20	30		CCEDRM
N#Cc1ccc(C(=O)N2CCN(C(N)=O)CC2)c([O-])c1	ZINC001195742142	846619567	/nfs/dbraw/zinc/61/95/67/846619567.db2.gz	YVGMXZZVEPCDAX-UHFFFAOYSA-N	-1	0	274.280	0.100	20	30		CCEDRM
COC(=O)[C@H](C)N(C)C(=O)c1ccc(C#N)cc1[O-]	ZINC001195749798	846620930	/nfs/dbraw/zinc/62/09/30/846620930.db2.gz	APVDWPHQZMRFCW-QMMMGPOBSA-N	-1	0	262.265	0.897	20	30		CCEDRM
CCOC(=O)CS(=O)(=O)[N-]c1c(C)ccnc1C#N	ZINC001195942560	846645385	/nfs/dbraw/zinc/64/53/85/846645385.db2.gz	XKBJYYYKGRNPJD-UHFFFAOYSA-N	-1	0	283.309	0.567	20	30		CCEDRM
N#Cc1cccnc1C(=O)NC1C(=O)N=CN=C1[O-]	ZINC001196552354	846774763	/nfs/dbraw/zinc/77/47/63/846774763.db2.gz	ZHTYLFLGRWTIQF-UHFFFAOYSA-N	-1	0	257.209	0.407	20	30		CCEDRM
N#Cc1cnc([N-]S(=O)(=O)Cc2cccnc2)cn1	ZINC001197416445	846906970	/nfs/dbraw/zinc/90/69/70/846906970.db2.gz	MKCDWNGOKYTQII-UHFFFAOYSA-N	-1	0	275.293	0.685	20	30		CCEDRM
Cc1ccnc(S(=O)(=O)[N-]c2c(C#N)cnn2C)c1	ZINC001197963266	847010662	/nfs/dbraw/zinc/01/06/62/847010662.db2.gz	MYOZSWOITLVVOI-UHFFFAOYSA-N	-1	0	277.309	0.796	20	30		CCEDRM
Cc1ccc(S(=O)(=O)[N-]c2cnn(C)c2C#N)cn1	ZINC001198277281	847078149	/nfs/dbraw/zinc/07/81/49/847078149.db2.gz	ITUHPVFCNBEONV-UHFFFAOYSA-N	-1	0	277.309	0.796	20	30		CCEDRM
Cc1ncc(S(=O)(=O)[N-]c2cn(C)nc2C#N)n1C	ZINC001198356356	847102235	/nfs/dbraw/zinc/10/22/35/847102235.db2.gz	PGBPJBYLJJDJKF-UHFFFAOYSA-N	-1	0	280.313	0.135	20	30		CCEDRM
C[C@H](C#N)N(C)S(=O)(=O)c1ccccc1C(=O)[O-]	ZINC001198766889	847163549	/nfs/dbraw/zinc/16/35/49/847163549.db2.gz	AUHLTOHMZCQAIR-MRVPVSSYSA-N	-1	0	268.294	0.917	20	30		CCEDRM
N#CC1CC(NS(=O)(=O)c2ccccc2C(=O)[O-])C1	ZINC001198807634	847176057	/nfs/dbraw/zinc/17/60/57/847176057.db2.gz	OTWJYFYGDPHWIA-UHFFFAOYSA-N	-1	0	280.305	0.965	20	30		CCEDRM
C=CCSc1ncccc1C(=O)NCS(=O)(=O)[O-]	ZINC001199739537	847415463	/nfs/dbraw/zinc/41/54/63/847415463.db2.gz	KXDCPSKTGSCLFU-UHFFFAOYSA-N	-1	0	288.350	0.935	20	30		CCEDRM
C#CC[C@H](CO)N=c1nc[nH]c2sc(C(=O)[O-])c(C)c21	ZINC000717734323	848290945	/nfs/dbraw/zinc/29/09/45/848290945.db2.gz	ZBLTZXOBHIEIHB-MRVPVSSYSA-N	-1	0	291.332	0.916	20	30		CCEDRM
C=C[C@@H](CO)NS(=O)(=O)c1sc(Cl)nc1C	ZINC000718133176	848578079	/nfs/dbraw/zinc/57/80/79/848578079.db2.gz	FXTVYOSXZXDVAI-LURJTMIESA-N	-1	0	282.774	0.930	20	30		CCEDRM
CN1CCO[C@H]2CN(C(=O)c3ccc([O-])c(C#N)c3)C[C@@H]21	ZINC001275708273	848797350	/nfs/dbraw/zinc/79/73/50/848797350.db2.gz	PHPRNTAWCBSKMO-JSGCOSHPSA-N	-1	0	287.319	0.419	20	30		CCEDRM
CN(C)C(=O)[C@@]12C[C@@H]1CN(C(=O)c1cccc(C#N)c1[O-])C2	ZINC001276214794	848964449	/nfs/dbraw/zinc/96/44/49/848964449.db2.gz	ASZBPVPLWKUFQP-BDJLRTHQSA-N	-1	0	299.330	0.814	20	30		CCEDRM
CC[C@@](C)(C#N)C(=O)N1CCC(c2nnn[n-]2)CC1	ZINC000720446335	849464009	/nfs/dbraw/zinc/46/40/09/849464009.db2.gz	WNIHEDHUSOSJDN-LBPRGKRZSA-N	-1	0	262.317	0.846	20	30		CCEDRM
Cn1cc(C(=O)[O-])cc1C=NNCCCn1ccnc1	ZINC000901261463	851661559	/nfs/dbraw/zinc/66/15/59/851661559.db2.gz	JJWONVKKRIFPCW-UHFFFAOYSA-N	-1	0	275.312	0.934	20	30		CCEDRM
C=C1CCN(C(=O)c2cccn(CC(=O)[O-])c2=O)CC1	ZINC000901594029	851763713	/nfs/dbraw/zinc/76/37/13/851763713.db2.gz	CQWURIYNTRCPSE-UHFFFAOYSA-N	-1	0	276.292	0.725	20	30		CCEDRM
N#CCSCC(=O)[N-]S(=O)(=O)Cc1ccccn1	ZINC001117069487	855904856	/nfs/dbraw/zinc/90/48/56/855904856.db2.gz	QUCFTWFDMAIGJO-UHFFFAOYSA-N	-1	0	285.350	0.284	20	30		CCEDRM
CCN(CC)S(=O)(=O)[N-]C(=O)CC1(C#N)CC1	ZINC001117757727	856071988	/nfs/dbraw/zinc/07/19/88/856071988.db2.gz	CBLQDBOPBUCFJE-UHFFFAOYSA-N	-1	0	259.331	0.383	20	30		CCEDRM
N#CCCCS(=O)(=O)[N-]C(=O)c1ccnc2ccnn21	ZINC001118912353	856488493	/nfs/dbraw/zinc/48/84/93/856488493.db2.gz	XKQMMQIDBWYXKQ-UHFFFAOYSA-N	-1	0	293.308	0.093	20	30		CCEDRM
C=CC[C@H](NC(=O)C(C)(C)N1CCOCC1)C(=O)[O-]	ZINC001119643334	856803319	/nfs/dbraw/zinc/80/33/19/856803319.db2.gz	CJOBFLQESLOUNJ-JTQLQIEISA-N	-1	0	270.329	0.243	20	30		CCEDRM
C=CC[C@@H](NC(=O)[C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@H]12)C(=O)[O-]	ZINC001120416238	857061202	/nfs/dbraw/zinc/06/12/02/857061202.db2.gz	AFAAMNXWBXQADR-AKKLPLMASA-N	-1	0	251.282	0.555	20	30		CCEDRM
CC#CCS(=O)(=O)[N-]C(=O)Cc1ccccc1	ZINC001323961625	912602870	/nfs/dbraw/zinc/60/28/70/912602870.db2.gz	KEAUJMJNUXIXJO-UHFFFAOYSA-N	-1	0	251.307	0.698	20	30		CCEDRM
O=C([O-])Cn1cc(C=NOCc2cccnc2)nn1	ZINC001324221798	912729448	/nfs/dbraw/zinc/72/94/48/912729448.db2.gz	ZKONJODIITWXPX-UHFFFAOYSA-N	-1	0	261.241	0.308	20	30		CCEDRM
C=CC[C@@H](NC(=O)CN1CCCCCCC1=O)C(=O)[O-]	ZINC001325143707	913243522	/nfs/dbraw/zinc/24/35/22/913243522.db2.gz	MHLXTULEHAKFGM-LLVKDONJSA-N	-1	0	282.340	0.925	20	30		CCEDRM
N#CC(C(=O)N1CCCC1)=C([O-])c1cnn(CCF)c1	ZINC001342611624	892773625	/nfs/dbraw/zinc/77/36/25/892773625.db2.gz	OJYJSRUMYHVXOQ-LLVKDONJSA-N	-1	0	278.287	0.797	20	30		CCEDRM
CSC[C@](C)(O)CNC(=O)c1[n-]c(=O)c(C#N)cc1C	ZINC001361922383	893483141	/nfs/dbraw/zinc/48/31/41/893483141.db2.gz	AAJWOOFCTYUPHI-CYBMUJFWSA-N	-1	0	295.364	0.811	20	30		CCEDRM
C=CC[C@@H](NC(=O)N[C@@H]1C[C@H]2CC[C@@H]1O2)C(=O)[O-]	ZINC001326258293	913854382	/nfs/dbraw/zinc/85/43/82/913854382.db2.gz	CZYYFRUGPGJLCQ-KYXWUPHJSA-N	-1	0	254.286	0.635	20	30		CCEDRM
C=CC[C@@H](NC(=O)c1cn(C2CCC2)nn1)C(=O)[O-]	ZINC001326372039	913918202	/nfs/dbraw/zinc/91/82/02/913918202.db2.gz	WWIGOLAVMNJKNE-SECBINFHSA-N	-1	0	264.285	0.762	20	30		CCEDRM
C=CC[C@@H](NC(=O)CCNC(=O)C(C)(C)C)C(=O)[O-]	ZINC000150083975	894972393	/nfs/dbraw/zinc/97/23/93/894972393.db2.gz	HUOFEOBZMSGFAF-SECBINFHSA-N	-1	0	270.329	0.684	20	30		CCEDRM
N#CCN1C[C@@H]2C[C@H]1CN2C(=O)c1ccc2oc(=O)nc-2[n-]1	ZINC001032730095	898027886	/nfs/dbraw/zinc/02/78/86/898027886.db2.gz	UXFDNJIWLYTXMH-IUCAKERBSA-N	-1	0	299.290	0.351	20	30		CCEDRM
C=CC[C@@H](NC(=O)CCCc1nc(C)no1)C(=O)[O-]	ZINC001327013571	914312404	/nfs/dbraw/zinc/31/24/04/914312404.db2.gz	MBUBYOKECNHMBT-SECBINFHSA-N	-1	0	267.285	0.846	20	30		CCEDRM
COC(=O)c1ncccc1[N-]S(=O)(=O)[C@@H](C)C#N	ZINC001193106224	900031508	/nfs/dbraw/zinc/03/15/08/900031508.db2.gz	NBLXQBCTVNBJJU-ZETCQYMHSA-N	-1	0	269.282	0.522	20	30		CCEDRM
C/C=C/n1cnc2c1ncnc2[N-]S(=O)(=O)[C@H](C)C#N	ZINC001193106259	900031934	/nfs/dbraw/zinc/03/19/34/900031934.db2.gz	FFAZAXWTOLIHAY-MPJRPATESA-N	-1	0	292.324	0.971	20	30		CCEDRM
CCOC(=O)c1ccc([N-]S(=O)(=O)[C@@H](C)C#N)cn1	ZINC001193106468	900031958	/nfs/dbraw/zinc/03/19/58/900031958.db2.gz	GCNXQWNBIBILPA-QMMMGPOBSA-N	-1	0	283.309	0.912	20	30		CCEDRM
N#CC1(C[N-]S(=O)(=O)N=S2(=O)CCCC2)CC1	ZINC000867221636	900060910	/nfs/dbraw/zinc/06/09/10/900060910.db2.gz	CAXWMJQXPWKKET-UHFFFAOYSA-N	-1	0	277.371	0.386	20	30		CCEDRM
C=CC[C@H](NC(=O)CNC(=O)CC(C)(C)C)C(=O)[O-]	ZINC001321657114	900982388	/nfs/dbraw/zinc/98/23/88/900982388.db2.gz	DHEWATRZOJDUMC-VIFPVBQESA-N	-1	0	270.329	0.684	20	30		CCEDRM
C=CC[C@H](NC(=O)c1ccn(CCOC)n1)C(=O)[O-]	ZINC001327495201	914571548	/nfs/dbraw/zinc/57/15/48/914571548.db2.gz	GVCPSOIKZUYECP-JTQLQIEISA-N	-1	0	267.285	0.289	20	30		CCEDRM
Cc1cc(C#N)c(=O)[n-]c1C(=O)N[C@H]1CC(C)(C)OC1=O	ZINC001412714842	901976087	/nfs/dbraw/zinc/97/60/87/901976087.db2.gz	KJMCQQLFGCZZDD-VIFPVBQESA-N	-1	0	289.291	0.791	20	30		CCEDRM
CC(=O)Nc1cccc(Cn2c(=O)[n-]cc(C#N)c2=O)c1	ZINC001412921201	902360635	/nfs/dbraw/zinc/36/06/35/902360635.db2.gz	IIKRDKJXQLKYSH-UHFFFAOYSA-N	-1	0	284.275	0.415	20	30		CCEDRM
C[C@@H](NC(=O)Cn1cc(C#N)c(=O)[n-]c1=O)C1CCCC1	ZINC001412938046	902371866	/nfs/dbraw/zinc/37/18/66/902371866.db2.gz	LNUVTRDNIZZLGY-SECBINFHSA-N	-1	0	290.323	0.515	20	30		CCEDRM
COC(=O)[C@H](CF)[N-]S(=O)(=O)CC1(CC#N)CC1	ZINC001413348425	902897323	/nfs/dbraw/zinc/89/73/23/902897323.db2.gz	ATOVVFWHEYIXGF-QMMMGPOBSA-N	-1	0	278.305	0.111	20	30		CCEDRM
O=C([O-])c1cc(C=NNC2CCS(=O)(=O)CC2)c[nH]1	ZINC001327801364	914774890	/nfs/dbraw/zinc/77/48/90/914774890.db2.gz	WXZAXOCSMFMDJZ-UHFFFAOYSA-N	-1	0	285.325	0.214	20	30		CCEDRM
COC(=O)CCNC(=O)c1[n-]c(=O)c(C#N)cc1C	ZINC001290577328	906128431	/nfs/dbraw/zinc/12/84/31/906128431.db2.gz	IVLAPPXQMDBXEJ-UHFFFAOYSA-N	-1	0	263.253	0.260	20	30		CCEDRM
C=C[C@@H]1OCC[C@H]1C(=O)N(C)C[C@H](C)c1nnn[n-]1	ZINC001296062918	906857382	/nfs/dbraw/zinc/85/73/82/906857382.db2.gz	BLPMQKYVIKZUJA-AEJSXWLSSA-N	-1	0	265.317	0.353	20	30		CCEDRM
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N(C)C[C@H](C)c1nnn[n-]1	ZINC001296064411	906857059	/nfs/dbraw/zinc/85/70/59/906857059.db2.gz	QVBBFQLDFVKRDB-DCAQKATOSA-N	-1	0	279.344	0.743	20	30		CCEDRM
C=CCCC(=O)NCC=CCNC(=O)c1[nH]nc(C)c1[O-]	ZINC001298301167	907214420	/nfs/dbraw/zinc/21/44/20/907214420.db2.gz	NRQOFZGXPNFEIF-WAYWQWQTSA-N	-1	0	292.339	0.792	20	30		CCEDRM
CO[N-]C(=O)CNC(=O)N[C@@H](C)c1cccc(C#N)c1	ZINC001313292794	908662813	/nfs/dbraw/zinc/66/28/13/908662813.db2.gz	UIXGNXFZCVXMAH-VIFPVBQESA-N	-1	0	276.296	0.596	20	30		CCEDRM
Cn1cccc(C(=O)Nc2nc(C#N)c(C#N)[n-]2)c1=O	ZINC001318279157	909685692	/nfs/dbraw/zinc/68/56/92/909685692.db2.gz	OKKGXXJRDOBGNK-UHFFFAOYSA-N	-1	0	268.236	0.104	20	30		CCEDRM
C=C(CCC(=O)[O-])C(=O)N(CC)CC(=O)OCC	ZINC001588612459	983703030	/nfs/dbraw/zinc/70/30/30/983703030.db2.gz	PWNHZOFRTXLLSS-UHFFFAOYSA-N	-1	0	257.286	0.819	20	30		CCEDRM
N#C[C@H](NC(=O)CSc1n[nH]c(=O)[n-]1)C1CC1	ZINC001320450905	910680124	/nfs/dbraw/zinc/68/01/24/910680124.db2.gz	WQKCTYAJYPATPD-LURJTMIESA-N	-1	0	253.287	0.021	20	30		CCEDRM
Cc1[nH]c(C=Nn2c(=O)cn[nH]c2=S)cc1C(=O)[O-]	ZINC001321259324	911197254	/nfs/dbraw/zinc/19/72/54/911197254.db2.gz	OLSGIIYQHRKVMR-UHFFFAOYSA-N	-1	0	279.281	0.144	20	30		CCEDRM
C=CC[C@@H](NC(=O)c1ccc(N)c([N+](=O)[O-])c1)C(=O)[O-]	ZINC001321340118	911244710	/nfs/dbraw/zinc/24/47/10/911244710.db2.gz	LBSQBERAKAIIHT-SECBINFHSA-N	-1	0	279.252	0.936	20	30		CCEDRM
C=CC[C@@H](NC(=O)[C@@H]1CCCN(C(=O)CC)C1)C(=O)[O-]	ZINC001321658512	911426759	/nfs/dbraw/zinc/42/67/59/911426759.db2.gz	UNWPFWOZTYRSFZ-GHMZBOCLSA-N	-1	0	282.340	0.781	20	30		CCEDRM
C=CCOC[C@H](NCc1nccn1CC)C(=O)[O-]	ZINC001339137346	921663782	/nfs/dbraw/zinc/66/37/82/921663782.db2.gz	WHCNFCGPMIXBCN-JTQLQIEISA-N	-1	0	253.302	0.648	20	30		CCEDRM
C=CC[C@H](NC(=O)C1(C(=O)NC2CC2)CCC1)C(=O)[O-]	ZINC001322598811	911877817	/nfs/dbraw/zinc/87/78/17/911877817.db2.gz	GDCKSQYROOIDKB-JTQLQIEISA-N	-1	0	280.324	0.581	20	30		CCEDRM
C[C@@H](CC(C)(C)C)NC(=O)Cn1cc(C#N)c(=O)[n-]c1=O	ZINC001417926957	921708917	/nfs/dbraw/zinc/70/89/17/921708917.db2.gz	LTJLQYPFYVOZEY-VIFPVBQESA-N	-1	0	292.339	0.761	20	30		CCEDRM
CC(=Cc1cnnn1C)c1nc(C)c(C#N)c(=O)[n-]1	ZINC001339482769	921735179	/nfs/dbraw/zinc/73/51/79/921735179.db2.gz	RAIDHOLLQCOJCS-DAXSKMNVSA-N	-1	0	256.269	0.639	20	30		CCEDRM
C=CC[C@H](NC(=O)CCCCN1CCOCC1)C(=O)[O-]	ZINC001339524606	921749770	/nfs/dbraw/zinc/74/97/70/921749770.db2.gz	ZNCBHOOWILPBDC-LBPRGKRZSA-N	-1	0	284.356	0.634	20	30		CCEDRM
C=C[C@@](C)(O)C(=O)N[C@H]1CCOC2(CC(C(=O)[O-])C2)C1	ZINC001339568290	921761357	/nfs/dbraw/zinc/76/13/57/921761357.db2.gz	NKMVPRBFKHWYKZ-URQSVNDISA-N	-1	0	283.324	0.452	20	30		CCEDRM
CC[C@H]1CC[C@H](C)N1c1[n-]c(=O)n(C)c(=O)c1C#N	ZINC001339648755	921785564	/nfs/dbraw/zinc/78/55/64/921785564.db2.gz	KMPOEPVQSDNDBF-IUCAKERBSA-N	-1	0	262.313	0.713	20	30		CCEDRM
C=C[C@H](COC)NC(=O)c1ccc([N-]S(C)(=O)=O)nc1	ZINC001330459272	916642468	/nfs/dbraw/zinc/64/24/68/916642468.db2.gz	LTYKYNGQELGLJU-SNVBAGLBSA-N	-1	0	299.352	0.384	20	30		CCEDRM
C#CC[C@H](CCOC)NC(=O)C(=O)[N-]OCC(C)C	ZINC001331530244	917398617	/nfs/dbraw/zinc/39/86/17/917398617.db2.gz	YNGNQPUKNUSYJF-LLVKDONJSA-N	-1	0	270.329	0.235	20	30		CCEDRM
C=CC[C@@H](NC(=O)NCc1cccc(N(C)C)n1)C(=O)[O-]	ZINC001332164678	917926056	/nfs/dbraw/zinc/92/60/56/917926056.db2.gz	OIGUNONBHGEERC-LLVKDONJSA-N	-1	0	292.339	0.976	20	30		CCEDRM
C=CC[C@@H](NC(=O)c1ccnn1CC(F)F)C(=O)[O-]	ZINC001332613972	918311603	/nfs/dbraw/zinc/31/16/03/918311603.db2.gz	RZLMJQUZNABBHK-SSDOTTSWSA-N	-1	0	273.239	0.907	20	30		CCEDRM
C=CC[C@H](NC(=O)c1cc2n(n1)CCO2)C(=O)[O-]	ZINC001332613499	918311749	/nfs/dbraw/zinc/31/17/49/918311749.db2.gz	IFOVVTUFZXVQDS-ZETCQYMHSA-N	-1	0	251.242	0.035	20	30		CCEDRM
C=CCOC[C@H](NC(=O)c1cn(C)nc1CC)C(=O)[O-]	ZINC001333335136	918812614	/nfs/dbraw/zinc/81/26/14/918812614.db2.gz	NZWOYUDBHJDXQZ-NSHDSACASA-N	-1	0	281.312	0.368	20	30		CCEDRM
C=CC[C@H]1CCN(C(=O)C(=O)N[C@H]2C[C@H](C(=O)[O-])C2)C1	ZINC001333347455	918821418	/nfs/dbraw/zinc/82/14/18/918821418.db2.gz	YGFSXRFAFBPBED-DCAQKATOSA-N	-1	0	280.324	0.390	20	30		CCEDRM
C=CC[C@@H](NC(=O)c1cc2n(n1)CCCO2)C(=O)[O-]	ZINC001334188223	919410590	/nfs/dbraw/zinc/41/05/90/919410590.db2.gz	QAPFMLYVANKGRP-MRVPVSSYSA-N	-1	0	265.269	0.425	20	30		CCEDRM
Cn1nc(C(=O)[O-])cc1C=NNCC1CCOCC1	ZINC001335209173	920024958	/nfs/dbraw/zinc/02/49/58/920024958.db2.gz	KUKWRQFKCNYGBM-UHFFFAOYSA-N	-1	0	266.301	0.468	20	30		CCEDRM
N#Cc1ccc2c(c1)CN(C(=O)CCc1nnn[n-]1)C2	ZINC001335731090	920404497	/nfs/dbraw/zinc/40/44/97/920404497.db2.gz	OJDAEQGBZKSDPL-UHFFFAOYSA-N	-1	0	268.280	0.546	20	30		CCEDRM
Cn1c(=O)[n-]c(NCCCCC2CC2)c(C#N)c1=O	ZINC001336693611	920932434	/nfs/dbraw/zinc/93/24/34/920932434.db2.gz	UAXQLIQAXZNWBX-UHFFFAOYSA-N	-1	0	262.313	0.937	20	30		CCEDRM
Cn1c(=O)[n-]c(N[C@@H]2C[C@H]3CCC[C@H]32)c(C#N)c1=O	ZINC001336741190	920972901	/nfs/dbraw/zinc/97/29/01/920972901.db2.gz	XEGACPKXSVRKKE-NQMVMOMDSA-N	-1	0	260.297	0.546	20	30		CCEDRM
C[C@H](c1cccc(C#N)c1)N(C)C(=O)c1n[nH]c(=O)[n-]c1=O	ZINC001418142719	921857070	/nfs/dbraw/zinc/85/70/70/921857070.db2.gz	MLJXXHDWNRBFDJ-MRVPVSSYSA-N	-1	0	299.290	0.988	20	30		CCEDRM
C=CC[C@@H](NC(=O)CCCC(=O)NC(C)C)C(=O)[O-]	ZINC001339865282	921859799	/nfs/dbraw/zinc/85/97/99/921859799.db2.gz	QZRWLNOUHRUCGY-SNVBAGLBSA-N	-1	0	270.329	0.827	20	30		CCEDRM
CNC(=O)C(C#N)=C([O-])c1cccc(C(=O)N(C)C)c1	ZINC001341882325	922711644	/nfs/dbraw/zinc/71/16/44/922711644.db2.gz	BIEPZPZGWSEEQB-NSHDSACASA-N	-1	0	273.292	0.457	20	30		CCEDRM
CNC(=O)C(C#N)=C([O-])c1cnn(C2CCOCC2)c1C	ZINC001341905341	922718257	/nfs/dbraw/zinc/71/82/57/922718257.db2.gz	ZDWZZJUKMGLBKH-NSHDSACASA-N	-1	0	290.323	0.612	20	30		CCEDRM
C=CCn1cc(C([O-])=C(C#N)C(=O)NC2CC2)nn1	ZINC001341948945	922734172	/nfs/dbraw/zinc/73/41/72/922734172.db2.gz	FGTJPNHBBPHIJB-SECBINFHSA-N	-1	0	259.269	0.065	20	30		CCEDRM
C#CCO[C@H](C)C(=O)OCc1n[n-]c(C)cc1=O	ZINC001343281951	923257967	/nfs/dbraw/zinc/25/79/67/923257967.db2.gz	DBFMDZVGPFFAGU-SECBINFHSA-N	-1	0	250.254	0.572	20	30		CCEDRM
N#CC(C(=O)N1CCCC1)=C([O-])c1ccc(C(N)=O)s1	ZINC001343331779	923275291	/nfs/dbraw/zinc/27/52/91/923275291.db2.gz	ULRNPPPPQCPKKQ-QMMMGPOBSA-N	-1	0	291.332	0.792	20	30		CCEDRM
Cn1ccnc1C([O-])=C(C#N)C(=O)[C@@H]1CCC(=O)C1	ZINC001343385171	923293069	/nfs/dbraw/zinc/29/30/69/923293069.db2.gz	JPELQDHPZJOTOU-PSASIEDQSA-N	-1	0	259.265	0.681	20	30		CCEDRM
CNC(=O)C(C#N)=C([O-])c1nc(-c2cnn(C)c2)oc1C	ZINC001343457179	923327012	/nfs/dbraw/zinc/32/70/12/923327012.db2.gz	ZKEMROIFMFODLH-VIFPVBQESA-N	-1	0	287.279	0.452	20	30		CCEDRM
Cn1cc(C([O-])=C(C#N)C(=O)c2nccn2C)cn1	ZINC001344008150	923528737	/nfs/dbraw/zinc/52/87/37/923528737.db2.gz	TVKGTPAOALEFHU-SECBINFHSA-N	-1	0	257.253	0.359	20	30		CCEDRM
C#CC[C@H](NC(=O)[C@@]1([C@@H]2CCCCO2)CCCO1)C(=O)[O-]	ZINC001345123735	923798926	/nfs/dbraw/zinc/79/89/26/923798926.db2.gz	XFLQAOKSUDKFGT-HUBLWGQQSA-N	-1	0	295.335	0.697	20	30		CCEDRM
C=CCS(=O)(=O)[N-]C(=O)COCc1ccncc1	ZINC001346276645	924142221	/nfs/dbraw/zinc/14/22/21/924142221.db2.gz	KAMXMPCGMYAIAB-UHFFFAOYSA-N	-1	0	270.310	0.230	20	30		CCEDRM
C=CC[C@H](NC(=O)c1ccc2c(n1)OCCO2)C(=O)[O-]	ZINC001346539272	924257715	/nfs/dbraw/zinc/25/77/15/924257715.db2.gz	AWIGESNKIZJSQU-VIFPVBQESA-N	-1	0	278.264	0.612	20	30		CCEDRM
C=CCCCNC(=O)C(=O)[N-]OC[C@@H]1CCOC1	ZINC001346917900	924331251	/nfs/dbraw/zinc/33/12/51/924331251.db2.gz	QIGRJMQZLJVRHL-SNVBAGLBSA-N	-1	0	256.302	0.153	20	30		CCEDRM
CC[C@@H](NN=Cc1c(Cl)nc(OC)n1C)C(=O)[O-]	ZINC001347634398	924498167	/nfs/dbraw/zinc/49/81/67/924498167.db2.gz	NSZROUJWLRICDX-ZCFIWIBFSA-N	-1	0	274.708	0.869	20	30		CCEDRM
C[C@H]1O[C@@H](C)[C@@H](C)[C@H]1C(=O)[N-]S(=O)(=O)CCCC#N	ZINC001348272684	924633819	/nfs/dbraw/zinc/63/38/19/924633819.db2.gz	XCEYTNMUQIDULV-LMLFDSFASA-N	-1	0	288.369	0.796	20	30		CCEDRM
C=C(C)CN1CCN([C@]2(C(=O)[O-])CCOC2)CC1	ZINC001348437172	924687514	/nfs/dbraw/zinc/68/75/14/924687514.db2.gz	TVBGZVGODNCKES-CYBMUJFWSA-N	-1	0	254.330	0.424	20	30		CCEDRM
C=CCO[N-]C(=O)[C@@H](NC(=O)OC(C)(C)C)[C@@H](C)O	ZINC001348718150	924785240	/nfs/dbraw/zinc/78/52/40/924785240.db2.gz	WAPHTZXDBFHAET-BDAKNGLRSA-N	-1	0	274.317	0.494	20	30		CCEDRM
C=CCCO[C@H](C)C(=O)NC[C@@H](C(=O)[O-])[C@@H]1CCOC1	ZINC001349983989	925110294	/nfs/dbraw/zinc/11/02/94/925110294.db2.gz	AWOUVDMDPHXYLJ-IJLUTSLNSA-N	-1	0	285.340	0.821	20	30		CCEDRM
COCC1CN(C(=O)c2[n-]c(=O)c(C#N)cc2C)C1	ZINC001300052559	925596553	/nfs/dbraw/zinc/59/65/53/925596553.db2.gz	CDILTKXODDOTKH-UHFFFAOYSA-N	-1	0	261.281	0.686	20	30		CCEDRM
C=CC[C@@H](NC(=O)c1cnn(CC)c1C)C(=O)[O-]	ZINC001354048088	925996312	/nfs/dbraw/zinc/99/63/12/925996312.db2.gz	WNHHSKXJVGCMGV-SNVBAGLBSA-N	-1	0	251.286	0.971	20	30		CCEDRM
C=CCn1c(-c2cc(=O)[nH][n-]2)nnc1N1CCC[C@H](C#N)C1	ZINC001356037730	926337966	/nfs/dbraw/zinc/33/79/66/926337966.db2.gz	CPTZPHMOQOAIFQ-SNVBAGLBSA-N	-1	0	299.338	0.428	20	30		CCEDRM
C=CC[C@H](NC(=O)c1cc(C)nn1CC)C(=O)[O-]	ZINC000150322117	926949876	/nfs/dbraw/zinc/94/98/76/926949876.db2.gz	MHXKLHFZVMPJAK-VIFPVBQESA-N	-1	0	251.286	0.971	20	30		CCEDRM
C[C@H](CC#N)NC(=O)c1nc[n-]c(=O)c1Br	ZINC001361950078	927469337	/nfs/dbraw/zinc/46/93/37/927469337.db2.gz	PJHZHZBZOBZORZ-RXMQYKEDSA-N	-1	0	285.101	0.977	20	30		CCEDRM
N#Cc1cn(CC(=O)N2Cc3ccccc3C2)c(=O)[n-]c1=O	ZINC001362240388	927764056	/nfs/dbraw/zinc/76/40/56/927764056.db2.gz	ULFMZLPBLCPQEU-UHFFFAOYSA-N	-1	0	296.286	0.363	20	30		CCEDRM
Cc1cc(C#N)c(=O)[n-]c1C(=O)NN1CCCNC1=O	ZINC001362279398	927818826	/nfs/dbraw/zinc/81/88/26/927818826.db2.gz	XUORFGDJXSLJGR-UHFFFAOYSA-N	-1	0	275.268	0.027	20	30		CCEDRM
Cc1cc(NC(=O)c2c[n-]ncc2=O)nn1CCC#N	ZINC001362597668	928229908	/nfs/dbraw/zinc/22/99/08/928229908.db2.gz	DNPFNNZDIOTQJR-UHFFFAOYSA-N	-1	0	272.268	0.853	20	30		CCEDRM
C[C@H](C(=O)Nc1nc(C#N)c(C#N)[n-]1)[C@@H](C)S(C)(=O)=O	ZINC001362614411	928253470	/nfs/dbraw/zinc/25/34/70/928253470.db2.gz	UNGRPQVPWQPDQB-NKWVEPMBSA-N	-1	0	295.324	0.161	20	30		CCEDRM
COC(=O)C12CC(C(=O)Nc3nc(C#N)c(C#N)[n-]3)(C1)C2	ZINC001362614946	928257155	/nfs/dbraw/zinc/25/71/55/928257155.db2.gz	WDSRBYBGRXUYGS-UHFFFAOYSA-N	-1	0	285.263	0.435	20	30		CCEDRM
CON1CCC(C(=O)Nc2nc(C#N)c(C#N)[n-]2)CC1	ZINC001362864946	928587001	/nfs/dbraw/zinc/58/70/01/928587001.db2.gz	NPKCQTXMHLCUQZ-UHFFFAOYSA-N	-1	0	274.284	0.365	20	30		CCEDRM
CC[C@@H](CNC(=O)c1[n-]c(=O)c(C#N)cc1C)C(=O)OC	ZINC001362945654	928684284	/nfs/dbraw/zinc/68/42/84/928684284.db2.gz	GAIWOBWVPDXSIQ-VIFPVBQESA-N	-1	0	291.307	0.896	20	30		CCEDRM
N#Cc1ccc(CNC(=O)CCc2nnn[n-]2)cc1Cl	ZINC001363028173	928777764	/nfs/dbraw/zinc/77/77/64/928777764.db2.gz	LDHJHQAGLNPYOP-UHFFFAOYSA-N	-1	0	290.714	0.974	20	30		CCEDRM
N#Cc1nc(NC(=O)c2cc3n(n2)CCCC3)[n-]c1C#N	ZINC001363155900	928926507	/nfs/dbraw/zinc/92/65/07/928926507.db2.gz	JIQLQIZTPZWRKW-UHFFFAOYSA-N	-1	0	281.279	0.938	20	30		CCEDRM
N#Cc1cn(CC(=O)N[C@@H]2CC[C@H]3C[C@H]3C2)c(=O)[n-]c1=O	ZINC001363197271	928967558	/nfs/dbraw/zinc/96/75/58/928967558.db2.gz	AWTHJLWUQBHWLX-ATZCPNFKSA-N	-1	0	288.307	0.125	20	30		CCEDRM
CCN1CC[C@@H](NC(=O)c2[n-]c(=O)c(C#N)cc2C)C1=O	ZINC001363240103	929013560	/nfs/dbraw/zinc/01/35/60/929013560.db2.gz	NUZHJIAHXQTNCV-SNVBAGLBSA-N	-1	0	288.307	0.318	20	30		CCEDRM
C[C@@]12COC[C@@H]1C[N@H+](Cc1cc(=O)n3[n-]cc(C#N)c3n1)C2	ZINC001363264735	929049122	/nfs/dbraw/zinc/04/91/22/929049122.db2.gz	DBBNRVHWQWCGHX-XHDPSFHLSA-N	-1	0	299.334	0.775	20	30		CCEDRM
Cc1cc(C#N)c(=O)[n-]c1C(=O)N1CC[C@@H](O)C1(C)C	ZINC001363346565	929136673	/nfs/dbraw/zinc/13/66/73/929136673.db2.gz	NPHXCVQAWFIRLQ-SNVBAGLBSA-N	-1	0	275.308	0.953	20	30		CCEDRM
N#Cc1ccnc(C(=O)N2CCC[C@@H](Cc3nnn[n-]3)C2)c1	ZINC001363436154	929226020	/nfs/dbraw/zinc/22/60/20/929226020.db2.gz	PQJLQGODWIEOJZ-NSHDSACASA-N	-1	0	297.322	0.561	20	30		CCEDRM
N#Cc1cc(F)cc(NC(=O)c2n[nH]c(=O)[n-]c2=O)c1	ZINC001363509763	929312161	/nfs/dbraw/zinc/31/21/61/929312161.db2.gz	BRQGJHDRWILQCO-UHFFFAOYSA-N	-1	0	275.199	0.546	20	30		CCEDRM
COCc1cccc(Nc2[n-]c(=O)n(C)c(=O)c2C#N)c1	ZINC001363717277	929516422	/nfs/dbraw/zinc/51/64/22/929516422.db2.gz	JAGYTRCLGWNGPY-UHFFFAOYSA-N	-1	0	286.291	0.835	20	30		CCEDRM
Cn1c(=O)[n-]c(NCCc2nccs2)c(C#N)c1=O	ZINC001363726304	929520632	/nfs/dbraw/zinc/52/06/32/929520632.db2.gz	FCMPGQMSWASEIK-UHFFFAOYSA-N	-1	0	277.309	0.056	20	30		CCEDRM
N#Cc1ccc(CNC(=O)CCCc2nnn[n-]2)cc1	ZINC001444465674	929879545	/nfs/dbraw/zinc/87/95/45/929879545.db2.gz	CWZKQPAOZAVTIQ-UHFFFAOYSA-N	-1	0	270.296	0.710	20	30		CCEDRM
C=C(Cl)CN1CCN(C(=O)c2n[nH]c(C)c2[O-])CC1	ZINC001374065684	930413630	/nfs/dbraw/zinc/41/36/30/930413630.db2.gz	WFNUYGCOUOYJNQ-UHFFFAOYSA-N	-1	0	284.747	0.934	20	30		CCEDRM
Cc1cc(C#N)c(=O)[n-]c1C(=O)N1CC(=O)N(C)C[C@H]1C	ZINC001447864890	930738865	/nfs/dbraw/zinc/73/88/65/930738865.db2.gz	MKKQXHMQAFEGCI-SECBINFHSA-N	-1	0	288.307	0.270	20	30		CCEDRM
C#CCN(CC#N)C(=O)c1nc[n-]c(=O)c1Br	ZINC001448183019	930846897	/nfs/dbraw/zinc/84/68/97/930846897.db2.gz	ARTOOTKBDHRPAW-UHFFFAOYSA-N	-1	0	295.096	0.544	20	30		CCEDRM
C=CCO[N-]C(=O)CNS(=O)(=O)c1cccc(F)c1	ZINC001449661757	931176568	/nfs/dbraw/zinc/17/65/68/931176568.db2.gz	ZTNULUKYUSBMFP-UHFFFAOYSA-N	-1	0	288.300	0.338	20	30		CCEDRM
C#C[C@H](NC(=O)NCC1(C(=O)[O-])CCC1)C1CCOCC1	ZINC001602671310	971233220	/nfs/dbraw/zinc/23/32/20/971233220.db2.gz	BVQXEPSNRXQJTB-LBPRGKRZSA-N	-1	0	294.351	0.969	20	30		CCEDRM
C#C[C@H](NC(=O)c1cnc(C(=O)[O-])cn1)C(C)(C)C	ZINC001602672647	971237940	/nfs/dbraw/zinc/23/79/40/971237940.db2.gz	OOGWIHFNJRLONH-JTQLQIEISA-N	-1	0	261.281	0.953	20	30		CCEDRM
C#CCCCC(=O)N(CCC(=O)OC)CC(=O)[O-]	ZINC001602674678	971241783	/nfs/dbraw/zinc/24/17/83/971241783.db2.gz	ABGXWVHTBPJVCQ-UHFFFAOYSA-N	-1	0	255.270	0.266	20	30		CCEDRM
C#CC[C@H](NC(=O)C1(C(=O)[O-])CC=CC1)C(=O)OC	ZINC001602675049	971244942	/nfs/dbraw/zinc/24/49/42/971244942.db2.gz	IXBRBHMVJWNUIZ-VIFPVBQESA-N	-1	0	265.265	0.089	20	30		CCEDRM
C#CC[C@H](COC)NC(=O)C1(C(=O)[O-])CC=CC1	ZINC001602675247	971246851	/nfs/dbraw/zinc/24/68/51/971246851.db2.gz	NVLHGKIXPGONGF-SNVBAGLBSA-N	-1	0	251.282	0.562	20	30		CCEDRM
C#CC[C@@H](NC(=O)C1(C(=O)[O-])CCCCC1)C(=O)OC	ZINC001602675406	971248787	/nfs/dbraw/zinc/24/87/87/971248787.db2.gz	UTEKREXGTARJAP-SNVBAGLBSA-N	-1	0	281.308	0.703	20	30		CCEDRM
C#CC[C@@H](NC(=O)[C@@H](OC)C(=O)[O-])c1ccccc1	ZINC001602675522	971250941	/nfs/dbraw/zinc/25/09/41/971250941.db2.gz	YDNQSRDTEYDRPM-VXGBXAGGSA-N	-1	0	261.277	0.967	20	30		CCEDRM
C#CCN(CC(=O)[O-])C(=O)C(=O)Nc1ccccc1OC	ZINC001602678755	971257185	/nfs/dbraw/zinc/25/71/85/971257185.db2.gz	FASFDSOBMCNBGL-UHFFFAOYSA-N	-1	0	290.275	0.180	20	30		CCEDRM
C#CCN(CC(=O)[O-])C(=O)[C@]1([C@@H]2CCCCO2)CCCO1	ZINC001602679649	971261069	/nfs/dbraw/zinc/26/10/69/971261069.db2.gz	VHTDSFZWVOUVJQ-SWLSCSKDSA-N	-1	0	295.335	0.651	20	30		CCEDRM
C#CCN(CC(=O)[O-])C(=O)N[C@H]1C[C@@H](C)n2ncnc21	ZINC001602683523	971273222	/nfs/dbraw/zinc/27/32/22/971273222.db2.gz	FAYQDOCKSWYMPQ-BDAKNGLRSA-N	-1	0	277.284	0.013	20	30		CCEDRM
C#CCN(CC(=O)[O-])C(=O)Cn1cc2ccccc2n1	ZINC001602684375	971280843	/nfs/dbraw/zinc/28/08/43/971280843.db2.gz	YWNYEFNXEFUWPR-UHFFFAOYSA-N	-1	0	271.276	0.583	20	30		CCEDRM
C#CCN(CC(=O)[O-])C(=O)c1cc(C(=O)OCC)c(C)[nH]1	ZINC001602691199	971293541	/nfs/dbraw/zinc/29/35/41/971293541.db2.gz	BGNNVTSNPQZSKV-UHFFFAOYSA-N	-1	0	292.291	0.660	20	30		CCEDRM
C#CCN(CC(=O)[O-])C(=O)c1ccc(C(C)=O)c(O)c1	ZINC001602691252	971294477	/nfs/dbraw/zinc/29/44/77/971294477.db2.gz	DHWKDYOPNVKWGF-UHFFFAOYSA-N	-1	0	275.260	0.755	20	30		CCEDRM
C#CCN(CC(=O)[O-])C(=O)c1ccc(-c2cn[nH]c2)cn1	ZINC001602691226	971294645	/nfs/dbraw/zinc/29/46/45/971294645.db2.gz	CEHBZCYNEGPPJK-UHFFFAOYSA-N	-1	0	284.275	0.632	20	30		CCEDRM
C#CCN(CC(=O)[O-])C(=O)c1[nH]nc(C(F)(F)F)c1C	ZINC001602691794	971298664	/nfs/dbraw/zinc/29/86/64/971298664.db2.gz	ZGTLFBYDOKVWRO-UHFFFAOYSA-N	-1	0	289.213	0.897	20	30		CCEDRM
C#CCN(CC(=O)[O-])C(=O)c1cnc(NCC)s1	ZINC001602692542	971303964	/nfs/dbraw/zinc/30/39/64/971303964.db2.gz	SVFHRLFYZKTSAL-UHFFFAOYSA-N	-1	0	267.310	0.735	20	30		CCEDRM
C#CCN(CC(=O)[O-])Cc1cccn(C(F)F)c1=O	ZINC001602695830	971312168	/nfs/dbraw/zinc/31/21/68/971312168.db2.gz	UXGBRSKALPNFLN-UHFFFAOYSA-N	-1	0	270.235	0.763	20	30		CCEDRM
C#CCN(CC(=O)[O-])Cc1nc(COC(C)C)no1	ZINC001602699214	971316249	/nfs/dbraw/zinc/31/62/49/971316249.db2.gz	OCJADUGDZNDGOY-UHFFFAOYSA-N	-1	0	267.285	0.514	20	30		CCEDRM
C#CCN(Cc1ccccc1)C(=O)COCC(=O)[O-]	ZINC001602700946	971323989	/nfs/dbraw/zinc/32/39/89/971323989.db2.gz	PLGLETNWHJPBJO-UHFFFAOYSA-N	-1	0	261.277	0.750	20	30		CCEDRM
C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@@H](C)[C@H](C(=O)[O-])C1	ZINC001602701886	971327539	/nfs/dbraw/zinc/32/75/39/971327539.db2.gz	BOEYPBWULFMXBB-UPJWGTAASA-N	-1	0	278.352	0.653	20	30		CCEDRM
C#Cc1ccc(C(=O)N2C[C@H]3COC[C@@]3(C(=O)[O-])C2)cc1	ZINC001602704726	971336140	/nfs/dbraw/zinc/33/61/40/971336140.db2.gz	PTQPNGYCSOFQBZ-BBRMVZONSA-N	-1	0	285.299	0.841	20	30		CCEDRM
C=C(C)[C@@H](CO)n1cc([N+](=O)[O-])c(-c2nnn[n-]2)n1	ZINC001573300673	947117572	/nfs/dbraw/zinc/11/75/72/947117572.db2.gz	SBOTZBHRGZZBDO-SSDOTTSWSA-N	-1	0	265.233	0.081	20	30		CCEDRM
C#CCOCCNC(=O)C1(C(=O)[O-])CCSCC1	ZINC001602702853	971332251	/nfs/dbraw/zinc/33/22/51/971332251.db2.gz	UHXOVQUQGTTYAQ-UHFFFAOYSA-N	-1	0	271.338	0.350	20	30		CCEDRM
C#Cc1ccc(COC(=O)[C@@](C)(OC)C(=O)[O-])nc1	ZINC001602704350	971333987	/nfs/dbraw/zinc/33/39/87/971333987.db2.gz	FUOBLVDXFLSSMO-ZDUSSCGKSA-N	-1	0	263.249	0.596	20	30		CCEDRM
C=C1CCC(C(=O)O[C@H]2CCN(CC(=O)[O-])C2=O)CC1	ZINC001602712975	971359290	/nfs/dbraw/zinc/35/92/90/971359290.db2.gz	DQFPQSANLZZZNZ-NSHDSACASA-N	-1	0	281.308	0.962	20	30		CCEDRM
C=C[C@H](O)C(=O)N[C@H](C(=O)[O-])c1ccc(F)cc1	ZINC001602717501	971368504	/nfs/dbraw/zinc/36/85/04/971368504.db2.gz	PBQBDTQXMOICPE-UWVGGRQHSA-N	-1	0	253.229	0.615	20	30		CCEDRM
C=CCN1CC[C@@H](OC(=O)[C@@](C)(C#N)CC(=O)[O-])C1=O	ZINC001602722977	971391994	/nfs/dbraw/zinc/39/19/94/971391994.db2.gz	DSRUDLQBPFZBFV-NOZJJQNGSA-N	-1	0	280.280	0.321	20	30		CCEDRM
C=CCn1c([C@@H](C)CO)nnc1N1CCC[C@@H](C(=O)[O-])C1	ZINC001602730246	971408182	/nfs/dbraw/zinc/40/81/82/971408182.db2.gz	YIOZFJIXWCUUQS-WDEREUQCSA-N	-1	0	294.355	0.861	20	30		CCEDRM
C[C@](C#N)(CC(=O)[O-])C(=O)N1CCC(F)(F)[C@@H](CO)C1	ZINC001602779159	971514535	/nfs/dbraw/zinc/51/45/35/971514535.db2.gz	SFDHRSWUHGJHGZ-LDYMZIIASA-N	-1	0	290.266	0.467	20	30		CCEDRM
C[C@@](C#N)(CC(=O)[O-])C(=O)N1CCCc2c(=O)[nH]cnc21	ZINC001602779360	971516218	/nfs/dbraw/zinc/51/62/18/971516218.db2.gz	XBMVPPINIJBUJC-ZDUSSCGKSA-N	-1	0	290.279	0.466	20	30		CCEDRM
COCCN(CCC#N)C(=O)c1ccc(C(=O)[O-])nc1	ZINC000071232699	948989996	/nfs/dbraw/zinc/98/99/96/948989996.db2.gz	PLHBGBKFHWXLMT-UHFFFAOYSA-N	-1	0	277.280	0.782	20	30		CCEDRM
C[C@](C#N)(CC(=O)[O-])C(=O)NCc1nnc(C2CC2)[nH]1	ZINC001602781922	971526528	/nfs/dbraw/zinc/52/65/28/971526528.db2.gz	KIGDAVCVJYFJHW-GFCCVEGCSA-N	-1	0	277.284	0.303	20	30		CCEDRM
C#CCN(CC(=O)[O-])C(=O)c1ccc(CNC(C)=O)cc1	ZINC000092476638	949144161	/nfs/dbraw/zinc/14/41/61/949144161.db2.gz	PKZWXMZHWSZPPI-UHFFFAOYSA-N	-1	0	288.303	0.483	20	30		CCEDRM
C#CCN(CC(=O)[O-])C(=O)c1c(C)cc(C)[nH]c1=O	ZINC000092476720	949144709	/nfs/dbraw/zinc/14/47/09/949144709.db2.gz	LHZCTDHKLBLIMH-UHFFFAOYSA-N	-1	0	262.265	0.152	20	30		CCEDRM
C#CCN(CC(=O)[O-])C(=O)[C@@H]1COc2ccccc2C1	ZINC000092477583	949146916	/nfs/dbraw/zinc/14/69/16/949146916.db2.gz	IERXWOAFTSDGOZ-LBPRGKRZSA-N	-1	0	273.288	0.784	20	30		CCEDRM
C[C@@H](C(=O)[O-])C(=O)N1CCN(c2ccccc2C#N)CC1	ZINC001602800563	971573037	/nfs/dbraw/zinc/57/30/37/971573037.db2.gz	GJUKEUJQUGVQPX-LLVKDONJSA-N	-1	0	287.319	0.928	20	30		CCEDRM
CC[C@@]1(O)CCCN(C(=O)[C@@](C)(C#N)CC(=O)[O-])C1	ZINC001589612940	949341376	/nfs/dbraw/zinc/34/13/76/949341376.db2.gz	BHCTWNQQLJVZTR-CHWSQXEVSA-N	-1	0	268.313	0.754	20	30		CCEDRM
C[C@@H](C(=O)OCCCC(=O)[O-])n1cnc(C#N)n1	ZINC001602830529	971652458	/nfs/dbraw/zinc/65/24/58/971652458.db2.gz	RSIDIJSCSXZMFN-ZETCQYMHSA-N	-1	0	252.230	0.119	20	30		CCEDRM
C#CCN(C)S(=O)(=O)c1cc(C(=O)[O-])ccn1	ZINC000379846436	971662372	/nfs/dbraw/zinc/66/23/72/971662372.db2.gz	FODSIPRNUKNBLZ-UHFFFAOYSA-N	-1	0	254.267	0.034	20	30		CCEDRM
CCN(CCC#N)S(=O)(=O)N([C@H](C)C(=O)[O-])C1CC1	ZINC001589729886	950485230	/nfs/dbraw/zinc/48/52/30/950485230.db2.gz	GFHDGFLHPPGONA-SECBINFHSA-N	-1	0	289.357	0.404	20	30		CCEDRM
CCO[C@H]1CCN(C(=O)[C@@](C)(C#N)CC(=O)[O-])C1	ZINC001603850317	974355049	/nfs/dbraw/zinc/35/50/49/974355049.db2.gz	XENBTEYANBNFTE-JOYOIKCWSA-N	-1	0	254.286	0.628	20	30		CCEDRM
COCCN(CCC#N)C(=O)[C@@H]1CC[C@H]1C(=O)[O-]	ZINC000397392368	951554740	/nfs/dbraw/zinc/55/47/40/951554740.db2.gz	YMOXHTMMPYYJCJ-NXEZZACHSA-N	-1	0	254.286	0.486	20	30		CCEDRM
CC[C@H](NS(=O)(=O)Cc1csc(C#N)c1)C(=O)[O-]	ZINC001593624647	953543040	/nfs/dbraw/zinc/54/30/40/953543040.db2.gz	DUNMXVWWHFLLSJ-VIFPVBQESA-N	-1	0	288.350	0.902	20	30		CCEDRM
C[C@@H]1C[C@H](NC(=O)[C@](C)(C#N)CC(=O)[O-])[C@@H](C)O1	ZINC001589289342	953587628	/nfs/dbraw/zinc/58/76/28/953587628.db2.gz	IOPZQVSXMQGNNI-XBWDGYHZSA-N	-1	0	254.286	0.673	20	30		CCEDRM
C[C@H]1CC(NC(=O)C2(C(=O)[O-])CCOCC2)=NO1	ZINC001589292947	953617743	/nfs/dbraw/zinc/61/77/43/953617743.db2.gz	JAFUEAVVBQHDNF-ZETCQYMHSA-N	-1	0	256.258	0.106	20	30		CCEDRM
CCn1c([C@@H]2C[C@H]2C#N)nnc1N1CC[C@H](C(=O)[O-])C1	ZINC001593661292	953805918	/nfs/dbraw/zinc/80/59/18/953805918.db2.gz	WASGXAUCLIFXFF-LPEHRKFASA-N	-1	0	275.312	0.836	20	30		CCEDRM
C[C@@H]1CN(C(=O)[C@@](C)(C#N)CC(=O)[O-])C[C@@H](C)N1CC#N	ZINC001589366023	954194598	/nfs/dbraw/zinc/19/45/98/954194598.db2.gz	FOZMHEHXNWBEGY-JTNHKYCSSA-N	-1	0	292.339	0.436	20	30		CCEDRM
O=C([O-])C1(C(=O)NCC#C[C@H]2CCCCO2)CCC1	ZINC001594856532	954241912	/nfs/dbraw/zinc/24/19/12/954241912.db2.gz	QBDKJEJYUDFNTC-LLVKDONJSA-N	-1	0	265.309	0.930	20	30		CCEDRM
CN(CC(=O)[O-])Cc1cn([C@@H]2CC[C@@H](C#N)C2)nn1	ZINC001593722920	954263117	/nfs/dbraw/zinc/26/31/17/954263117.db2.gz	VSWKEBZSGJNERW-MWLCHTKSSA-N	-1	0	263.301	0.659	20	30		CCEDRM
CN(CC(=O)[O-])Cc1cn([C@H]2CC[C@@H](C#N)C2)nn1	ZINC001593722919	954263396	/nfs/dbraw/zinc/26/33/96/954263396.db2.gz	VSWKEBZSGJNERW-KOLCDFICSA-N	-1	0	263.301	0.659	20	30		CCEDRM
C[C@H]1O[C@@H](C)[C@H](C)[C@H]1NC(=O)[C@@](C)(C#N)CC(=O)[O-]	ZINC001589416009	954549783	/nfs/dbraw/zinc/54/97/83/954549783.db2.gz	NIUXHDYJLYYDJT-UGGXKRBESA-N	-1	0	268.313	0.919	20	30		CCEDRM
CC[C@@H](C(=O)[O-])N(C)CC(=O)N[C@@](C)(C#N)C1CC1	ZINC001589440612	954706575	/nfs/dbraw/zinc/70/65/75/954706575.db2.gz	AMXWOXUHNFDIGO-GWCFXTLKSA-N	-1	0	267.329	0.590	20	30		CCEDRM
CC[C@](C)(C#N)C(=O)N[C@@H]1CCCCN(CC(=O)[O-])C1=O	ZINC001589447916	954780911	/nfs/dbraw/zinc/78/09/11/954780911.db2.gz	RGSQBVCRUBVKRE-QMTHXVAHSA-N	-1	0	295.339	0.508	20	30		CCEDRM
CCC(CC)(C(=O)[O-])C(=O)n1ncc(C#N)c1N	ZINC001589483123	954987547	/nfs/dbraw/zinc/98/75/47/954987547.db2.gz	IQDMJQDJKMDISX-UHFFFAOYSA-N	-1	0	250.258	0.868	20	30		CCEDRM
Cc1onc(CC(=O)NCC2(C(=O)[O-])CCC2)c1C#N	ZINC001594510194	955378780	/nfs/dbraw/zinc/37/87/80/955378780.db2.gz	HGUPQGMNWSVFTM-UHFFFAOYSA-N	-1	0	277.280	0.768	20	30		CCEDRM
COC(=O)c1ccc(C=NNCCC(=O)[O-])nc1	ZINC001593876951	955684132	/nfs/dbraw/zinc/68/41/32/955684132.db2.gz	PNXYJSPGLOYGIC-UHFFFAOYSA-N	-1	0	251.242	0.266	20	30		CCEDRM
C[C@H](NC(=O)[C@@](C)(C#N)CC(=O)[O-])c1ccnn1C	ZINC001589088447	955918894	/nfs/dbraw/zinc/91/88/94/955918894.db2.gz	WHJFHHGFWQNLLX-QPUJVOFHSA-N	-1	0	264.285	0.602	20	30		CCEDRM
CO[C@H](C(=O)[O-])C(=O)N[C@H](C)c1ccc(C#N)cc1	ZINC001593915597	956018928	/nfs/dbraw/zinc/01/89/28/956018928.db2.gz	FFMHBDMLBVWDKY-KCJUWKMLSA-N	-1	0	262.265	0.835	20	30		CCEDRM
CO[C@@](C)(C(=O)[O-])C(=O)N1CCc2c1cccc2C#N	ZINC001593925386	956116201	/nfs/dbraw/zinc/11/62/01/956116201.db2.gz	SFIYROSAUDTXPQ-CQSZACIVSA-N	-1	0	274.276	0.937	20	30		CCEDRM
N#CC1(C(=O)N[C@H]2CCCCN(CC(=O)[O-])C2=O)CCC1	ZINC001594601654	956137961	/nfs/dbraw/zinc/13/79/61/956137961.db2.gz	OKHHPXAWBACCKJ-JTQLQIEISA-N	-1	0	293.323	0.262	20	30		CCEDRM
N#CC1(NC(=O)[C@H]2CO[C@H](CCC(=O)[O-])C2)CC1	ZINC001594602750	956151160	/nfs/dbraw/zinc/15/11/60/956151160.db2.gz	RBPAYKLARJPMON-RKDXNWHRSA-N	-1	0	252.270	0.429	20	30		CCEDRM
N#CC1(CNC(=O)C2(C(=O)[O-])CC=CC2)CCOCC1	ZINC001594603372	956154749	/nfs/dbraw/zinc/15/47/49/956154749.db2.gz	BRPLFDWSBIFRJB-UHFFFAOYSA-N	-1	0	278.308	0.844	20	30		CCEDRM
N#C[C@@H]1CN(C(=O)[C@H]2CO[C@H](CCC(=O)[O-])C2)CCO1	ZINC001594605501	956166438	/nfs/dbraw/zinc/16/64/38/956166438.db2.gz	FOMKPCXRYGQVID-GMTAPVOTSA-N	-1	0	282.296	0.007	20	30		CCEDRM
N#CCC(=O)N1CCN(CCCCC(=O)[O-])CC1	ZINC001594606114	956177654	/nfs/dbraw/zinc/17/76/54/956177654.db2.gz	QIWADMPVHRLEPV-UHFFFAOYSA-N	-1	0	253.302	0.299	20	30		CCEDRM
N#CC[C@@H](NC(=O)N1CCO[C@H](C(=O)[O-])C1)C(F)(F)F	ZINC001594606348	956181492	/nfs/dbraw/zinc/18/14/92/956181492.db2.gz	RVRAVNTXHNNGSP-NKWVEPMBSA-N	-1	0	295.217	0.326	20	30		CCEDRM
N#CCCCCOC(=O)[C@@H]1CCCN(CC(=O)[O-])C1=O	ZINC001594609229	956192316	/nfs/dbraw/zinc/19/23/16/956192316.db2.gz	XNXRPCAMDYGBNT-SNVBAGLBSA-N	-1	0	282.296	0.547	20	30		CCEDRM
N#CCNCc1cn(Cc2ccc(C(=O)[O-])cc2)nn1	ZINC001594609584	956193504	/nfs/dbraw/zinc/19/35/04/956193504.db2.gz	DVWPQBARKOUWKH-UHFFFAOYSA-N	-1	0	271.280	0.638	20	30		CCEDRM
N#CCNC(=O)CNC(=O)Nc1cccc(CC(=O)[O-])c1	ZINC001594609758	956195868	/nfs/dbraw/zinc/19/58/68/956195868.db2.gz	KOCJLEZLSVRENU-UHFFFAOYSA-N	-1	0	290.279	0.075	20	30		CCEDRM
N#Cc1cc(F)ccc1S(=O)(=O)N[C@H]1C[C@@H](C(=O)[O-])C1	ZINC001594615823	956235662	/nfs/dbraw/zinc/23/56/62/956235662.db2.gz	HODBKDUTSOHFNJ-WKFQBHICSA-N	-1	0	298.295	0.839	20	30		CCEDRM
N#Cc1ccc(COC(=O)COCC(=O)[O-])nc1	ZINC001594619573	956269549	/nfs/dbraw/zinc/26/95/49/956269549.db2.gz	IPNKHTGEPFZOGP-UHFFFAOYSA-N	-1	0	250.210	0.098	20	30		CCEDRM
N#Cc1ccc(CNC(=O)[C@]2(C(=O)[O-])CCCO2)c(F)c1	ZINC001594620893	956280669	/nfs/dbraw/zinc/28/06/69/956280669.db2.gz	UIRCPRUSCHNGKB-AWEZNQCLSA-N	-1	0	292.266	0.947	20	30		CCEDRM
C[C@@](O)(CNC(=O)c1ccc(F)c(C#N)c1)C(=O)[O-]	ZINC001589144854	956284210	/nfs/dbraw/zinc/28/42/10/956284210.db2.gz	ZRXTZDKSVQXSHT-GFCCVEGCSA-N	-1	0	266.228	0.263	20	30		CCEDRM
COC(OC)[C@@H](C)NC(=O)[C@@](C)(C#N)CC(=O)[O-]	ZINC001593944484	956315331	/nfs/dbraw/zinc/31/53/31/956315331.db2.gz	JKBDZBWAURWYPH-RDDDGLTNSA-N	-1	0	258.274	0.115	20	30		CCEDRM
N#Cc1ccc2c(c1)N([C@H]1CCN(CC(=O)[O-])C1=O)CC2	ZINC001594626799	956319280	/nfs/dbraw/zinc/31/92/80/956319280.db2.gz	IJLMTUBCAPPKGE-LBPRGKRZSA-N	-1	0	285.303	0.606	20	30		CCEDRM
N#Cc1cccc(OCC(=O)OCC(=O)C(=O)[O-])c1	ZINC001594628398	956329601	/nfs/dbraw/zinc/32/96/01/956329601.db2.gz	OYVQOENTUXAVDK-UHFFFAOYSA-N	-1	0	263.205	0.134	20	30		CCEDRM
N#Cc1cscc1C(=O)O[C@H]1CCN(CC(=O)[O-])C1=O	ZINC001594634475	956362877	/nfs/dbraw/zinc/36/28/77/956362877.db2.gz	KWVSYFKRKVCEAE-VIFPVBQESA-N	-1	0	294.288	0.462	20	30		CCEDRM
CC(C)[C@@](C)(C#N)NC(=O)[C@H](C)OC(=O)CCC(=O)[O-]	ZINC001589155207	956369551	/nfs/dbraw/zinc/36/95/51/956369551.db2.gz	DVQBGLBAJCNFIU-TVQRCGJNSA-N	-1	0	284.312	0.837	20	30		CCEDRM
COC[C@@]1(C(=O)[O-])CCN(Cn2cccc(C#N)c2=O)C1	ZINC001593968322	956586517	/nfs/dbraw/zinc/58/65/17/956586517.db2.gz	TZFOJYJXGOHQEC-CQSZACIVSA-N	-1	0	291.307	0.101	20	30		CCEDRM
CC1(C)CCCN([C@H]2CCN(CC(=O)[O-])C2=O)[C@@H]1C#N	ZINC001589226049	956795448	/nfs/dbraw/zinc/79/54/48/956795448.db2.gz	VPPMWAXZEQVAOH-WDEREUQCSA-N	-1	0	279.340	0.686	20	30		CCEDRM
N#CCCN1CCN(C(=O)CCCC(=O)[O-])CC1	ZINC000002457038	956867010	/nfs/dbraw/zinc/86/70/10/956867010.db2.gz	QLAVAYYAAFVQLC-UHFFFAOYSA-N	-1	0	253.302	0.299	20	30		CCEDRM
Cc1c(F)cc(C(=O)[O-])cc1S(=O)(=O)NCC#N	ZINC000040605454	957378798	/nfs/dbraw/zinc/37/87/98/957378798.db2.gz	OMCFRLFXHVMDQW-UHFFFAOYSA-N	-1	0	272.257	0.634	20	30		CCEDRM
CC[C@H](CC#N)NS(=O)(=O)c1c[nH]c(C(=O)[O-])c1	ZINC000054176799	957522934	/nfs/dbraw/zinc/52/29/34/957522934.db2.gz	IGMQFSAOUXOTKL-SSDOTTSWSA-N	-1	0	271.298	0.683	20	30		CCEDRM
CC[C@@H](CC#N)NS(=O)(=O)c1cc(C(=O)[O-])n(C)c1	ZINC000054176794	957522947	/nfs/dbraw/zinc/52/29/47/957522947.db2.gz	ZCKKVWJHKCEEAA-QMMMGPOBSA-N	-1	0	285.325	0.694	20	30		CCEDRM
Cc1cc(C(=O)[O-])cc(C(=O)N2CC(O)(CC#N)C2)c1	ZINC001594281671	957752694	/nfs/dbraw/zinc/75/26/94/957752694.db2.gz	AQLZOTNUWLOKFH-UHFFFAOYSA-N	-1	0	274.276	0.794	20	30		CCEDRM
COc1cc(C#N)ccc1NCC(=O)NCC(=O)[O-]	ZINC001594048976	957961283	/nfs/dbraw/zinc/96/12/83/957961283.db2.gz	AOYPCSSGLPYQIC-UHFFFAOYSA-N	-1	0	263.253	0.180	20	30		CCEDRM
C#C[C@@H](NC(=O)N1CCO[C@@H](C(=O)[O-])C1)c1ccccc1	ZINC001588385269	957969179	/nfs/dbraw/zinc/96/91/79/957969179.db2.gz	BYAJTLWOPQXJTQ-CHWSQXEVSA-N	-1	0	288.303	0.856	20	30		CCEDRM
C#CC(C)(C)N(C)S(=O)(=O)N1CCC[C@H]1C(=O)[O-]	ZINC001588387426	957988356	/nfs/dbraw/zinc/98/83/56/957988356.db2.gz	JSDODXVCOCDXKD-VIFPVBQESA-N	-1	0	274.342	0.124	20	30		CCEDRM
C#CC[C@H](OC(=O)[C@@H](OC)C(=O)[O-])c1ccccn1	ZINC001588388491	957994892	/nfs/dbraw/zinc/99/48/92/957994892.db2.gz	BBQJNNGYEXHNPR-QWRGUYRKSA-N	-1	0	263.249	0.789	20	30		CCEDRM
C[C@H](CO)NN=Cc1ccc(N2CCC(C(=O)[O-])CC2)o1	ZINC001603202129	972310747	/nfs/dbraw/zinc/31/07/47/972310747.db2.gz	KWHALXSWBNVOLS-SNVBAGLBSA-N	-1	0	295.339	0.885	20	30		CCEDRM
C#CC[C@H]1CCCN(C(=O)C(=O)N[C@H]2C[C@H](C(=O)[O-])C2)C1	ZINC001588391271	958022427	/nfs/dbraw/zinc/02/24/27/958022427.db2.gz	DRRFDAIODMGLPD-SRVKXCTJSA-N	-1	0	292.335	0.228	20	30		CCEDRM
C#CCC1(O)CCN(C(=O)NCCCC(=O)[O-])CC1	ZINC001588391535	958023362	/nfs/dbraw/zinc/02/33/62/958023362.db2.gz	JDNCPFPWPNCNRY-UHFFFAOYSA-N	-1	0	268.313	0.411	20	30		CCEDRM
C#CC[C@H]1NC(=O)N(C[C@@H](CC(C)C)C(=O)[O-])C1=O	ZINC001588391612	958025240	/nfs/dbraw/zinc/02/52/40/958025240.db2.gz	KBCNYYMAUQPGMG-NXEZZACHSA-N	-1	0	266.297	0.677	20	30		CCEDRM
C#CCCc1noc([C@H]2CCCN(CC(=O)[O-])C2=O)n1	ZINC001588395119	958038706	/nfs/dbraw/zinc/03/87/06/958038706.db2.gz	COHYZTGLKOMKQP-SECBINFHSA-N	-1	0	277.280	0.426	20	30		CCEDRM
C#CCCOC(=O)N1C[C@H]2COC[C@@]2(C(=O)[O-])C1	ZINC001588395286	958039546	/nfs/dbraw/zinc/03/95/46/958039546.db2.gz	FFCBZFLIJAWWIO-CABZTGNLSA-N	-1	0	253.254	0.179	20	30		CCEDRM
C#CCCOC(=O)NCC1(C(=O)[O-])CCOCC1	ZINC001588396592	958051167	/nfs/dbraw/zinc/05/11/67/958051167.db2.gz	VZHKCSQMDXZNQU-UHFFFAOYSA-N	-1	0	255.270	0.617	20	30		CCEDRM
C#CCN(CC(=O)[O-])C(=O)[C@@H](C)C1CCOCC1	ZINC001588397406	958056283	/nfs/dbraw/zinc/05/62/83/958056283.db2.gz	HDHHGXYQBADZSM-JTQLQIEISA-N	-1	0	253.298	0.596	20	30		CCEDRM
C#CCN(CC(=O)[O-])C(=O)[C@@H](CO)c1ccc(Cl)cc1	ZINC001588397678	958062679	/nfs/dbraw/zinc/06/26/79/958062679.db2.gz	QNBAPKUEYDRJKC-LBPRGKRZSA-N	-1	0	295.722	0.962	20	30		CCEDRM
C#CCN(CC(=O)[O-])C(=O)CCCn1nc(C)cc1C	ZINC001588401985	958086742	/nfs/dbraw/zinc/08/67/42/958086742.db2.gz	IDQZMYNOCNZMMV-UHFFFAOYSA-N	-1	0	277.324	0.827	20	30		CCEDRM
C#CCN(CC(=O)[O-])C(=O)NCc1ccc(N(C)C)cc1	ZINC001588409324	958125892	/nfs/dbraw/zinc/12/58/92/958125892.db2.gz	WCGPSGAWOPPHSX-UHFFFAOYSA-N	-1	0	289.335	0.982	20	30		CCEDRM
C#CCN(CC(=O)[O-])C(=O)N[C@H]1CCS[C@@H](C)C1	ZINC001588410043	958133761	/nfs/dbraw/zinc/13/37/61/958133761.db2.gz	OEJQQTVXBLHFAH-UWVGGRQHSA-N	-1	0	270.354	1.000	20	30		CCEDRM
COc1cc(OC(=O)[C@@](C)(OC)C(=O)[O-])ccc1C#N	ZINC001594066425	958136759	/nfs/dbraw/zinc/13/67/59/958136759.db2.gz	KTKJHJMZXNMFGX-ZDUSSCGKSA-N	-1	0	279.248	0.962	20	30		CCEDRM
CCN(CC(=O)[O-])S(=O)(=O)c1ccc(CC#N)cc1	ZINC000092130753	958158323	/nfs/dbraw/zinc/15/83/23/958158323.db2.gz	IVGXWUNOOIGFQF-UHFFFAOYSA-N	-1	0	282.321	0.848	20	30		CCEDRM
C#CCN(CC(=O)[O-])C(=O)c1ccc2c(n1)OCCO2	ZINC001588418741	958185379	/nfs/dbraw/zinc/18/53/79/958185379.db2.gz	FSQIESNNSVGBCY-UHFFFAOYSA-N	-1	0	276.248	0.013	20	30		CCEDRM
C#CCN(CC(=O)[O-])CC(=O)N(CC(F)(F)F)C(C)C	ZINC001588419864	958196373	/nfs/dbraw/zinc/19/63/73/958196373.db2.gz	FKIYRXPIJYYZKY-UHFFFAOYSA-N	-1	0	294.273	0.806	20	30		CCEDRM
C#CCN(CC(=O)[O-])[C@H]1CCN(C2CCCCC2)C1=O	ZINC001588420081	958198824	/nfs/dbraw/zinc/19/88/24/958198824.db2.gz	KZMVEKQOGFJCFM-ZDUSSCGKSA-N	-1	0	278.352	0.940	20	30		CCEDRM
C#CCN(CC(=O)[O-])[C@H](C(=O)OC)c1cccc(C#N)c1	ZINC001588420224	958201039	/nfs/dbraw/zinc/20/10/39/958201039.db2.gz	QWEOZASMKOCEAZ-AWEZNQCLSA-N	-1	0	286.287	0.792	20	30		CCEDRM
COc1ccc(C#N)cc1COC(=O)[C@H](OC)C(=O)[O-]	ZINC001594074913	958209683	/nfs/dbraw/zinc/20/96/83/958209683.db2.gz	BWCNOSCLWOBHBC-LLVKDONJSA-N	-1	0	279.248	0.710	20	30		CCEDRM
C#CCN(CC(=O)[O-])Cc1ccc(C(=O)OC)n1C	ZINC001588424152	958212787	/nfs/dbraw/zinc/21/27/87/958212787.db2.gz	KGNHINGAUHHTNJ-UHFFFAOYSA-N	-1	0	264.281	0.332	20	30		CCEDRM
C#CCN(CC(=O)[O-])Cc1ccc(OCCOC)o1	ZINC001588424146	958214462	/nfs/dbraw/zinc/21/44/62/958214462.db2.gz	KECMVVJBDNXYMR-UHFFFAOYSA-N	-1	0	267.281	0.825	20	30		CCEDRM
C#CCN(CC(=O)[O-])c1nnc([C@@H]2C[C@H]2C#N)n1CC=C	ZINC001588426872	958235452	/nfs/dbraw/zinc/23/54/52/958235452.db2.gz	FHSABXVYBXWRPF-WDEREUQCSA-N	-1	0	285.307	0.615	20	30		CCEDRM
C#CCN(CC(=O)[O-])c1nnc(-c2scnc2C)n1C	ZINC001588427122	958239680	/nfs/dbraw/zinc/23/96/80/958239680.db2.gz	MWVCYLIGVSFJHI-UHFFFAOYSA-N	-1	0	291.336	0.771	20	30		CCEDRM
N#CCSCC(=O)N1CCC(CC(=O)[O-])CC1	ZINC000093679096	958247591	/nfs/dbraw/zinc/24/75/91/958247591.db2.gz	RAWHCEFZWKNSBT-UHFFFAOYSA-N	-1	0	256.327	0.956	20	30		CCEDRM
C#CCN1CCC[C@@H](NC(=O)[C@H]2CC[C@@H](C(=O)[O-])C2)C1	ZINC001588430538	958257195	/nfs/dbraw/zinc/25/71/95/958257195.db2.gz	NAPWOZATJAGPHN-YNEHKIRRSA-N	-1	0	278.352	0.701	20	30		CCEDRM
C#CCN1CCC[C@H]1C(=O)Nc1cc(C(=O)[O-])ccn1	ZINC001588431388	958268812	/nfs/dbraw/zinc/26/88/12/958268812.db2.gz	XDALOMNLRVCMOA-NSHDSACASA-N	-1	0	273.292	0.816	20	30		CCEDRM
C#CCOCCC(=O)N1C[C@@H](C(=O)[O-])CC[C@H]1C	ZINC001588431674	958273250	/nfs/dbraw/zinc/27/32/50/958273250.db2.gz	UWOXHNHCQFDIDU-MNOVXSKESA-N	-1	0	253.298	0.738	20	30		CCEDRM
C#CCN(CCS(=O)(=O)c1ccc(F)cc1)CC(=O)[O-]	ZINC001588432268	958277176	/nfs/dbraw/zinc/27/71/76/958277176.db2.gz	HYPKXQUTDKQUEA-UHFFFAOYSA-N	-1	0	299.323	0.619	20	30		CCEDRM
C#CCN(CC[S@](=O)C(F)(F)F)CC(=O)[O-]	ZINC001588432371	958281020	/nfs/dbraw/zinc/28/10/20/958281020.db2.gz	OOOKATMGCIOWPJ-INIZCTEOSA-N	-1	0	257.233	0.275	20	30		CCEDRM
C#CCn1ccc(CN(CC)C(=O)CCC(=O)[O-])n1	ZINC001588432807	958288609	/nfs/dbraw/zinc/28/86/09/958288609.db2.gz	FHFUTMPFSVOPHB-UHFFFAOYSA-N	-1	0	263.297	0.730	20	30		CCEDRM
C#CCSCC(=O)N[C@@H](C(=O)[O-])c1ccnn1C	ZINC001588433031	958291367	/nfs/dbraw/zinc/29/13/67/958291367.db2.gz	KOQURVQENJSMOF-SNVBAGLBSA-N	-1	0	267.310	0.028	20	30		CCEDRM
C=C(C)CONC(=O)N[C@H]1CCCCN(CC(=O)[O-])C1=O	ZINC001588440390	958330642	/nfs/dbraw/zinc/33/06/42/958330642.db2.gz	YJKLVHPVOYKXMD-JTQLQIEISA-N	-1	0	299.327	0.259	20	30		CCEDRM
C=C(C)CCC(=O)N1C[C@@H]2COC[C@]2(C(=O)[O-])C1	ZINC001588441016	958332696	/nfs/dbraw/zinc/33/26/96/958332696.db2.gz	CJUIBBHTBIYVSU-ZWNOBZJWSA-N	-1	0	253.298	0.902	20	30		CCEDRM
C=C(C)C[C@@H](NC(C)=O)C(=O)N1CCC(C(=O)[O-])CC1	ZINC001588441013	958333004	/nfs/dbraw/zinc/33/30/04/958333004.db2.gz	CDKJKHWHKGSSNA-GFCCVEGCSA-N	-1	0	282.340	0.781	20	30		CCEDRM
C=C(C)Cn1c(CO)nnc1N1CC[C@H](C)[C@@H](C(=O)[O-])C1	ZINC001588442211	958343005	/nfs/dbraw/zinc/34/30/05/958343005.db2.gz	GXGABNQTGCULRG-QWRGUYRKSA-N	-1	0	294.355	0.894	20	30		CCEDRM
C=C(C)CCn1nnnc1N1CCC[C@H](C(=O)[O-])C1	ZINC001588442997	958349771	/nfs/dbraw/zinc/34/97/71/958349771.db2.gz	XDDRYFDHRXKYEO-JTQLQIEISA-N	-1	0	265.317	0.940	20	30		CCEDRM
C=CC(C)(C)C(=O)N1C[C@@H]2COC[C@]2(C(=O)[O-])C1	ZINC001588450413	958392166	/nfs/dbraw/zinc/39/21/66/958392166.db2.gz	IZOMOFBFRFNRHY-NOZJJQNGSA-N	-1	0	253.298	0.758	20	30		CCEDRM
C=C[C@](C)(CC)C(=O)N1CCN(C(=O)C(=O)[O-])CC1	ZINC001588450971	958403157	/nfs/dbraw/zinc/40/31/57/958403157.db2.gz	JBBSRKINFHBUPB-CYBMUJFWSA-N	-1	0	268.313	0.344	20	30		CCEDRM
C=C[C@](C)(O)CC(=O)N1CC[C@@H](C(=O)[O-])[C@H](C)C1	ZINC001588451135	958406484	/nfs/dbraw/zinc/40/64/84/958406484.db2.gz	NIORTOPRDQZBLR-BREBYQMCSA-N	-1	0	255.314	0.883	20	30		CCEDRM
C=C[C@@H](O)c1nnc(N2CCC(C)(C(=O)[O-])CC2)n1C	ZINC001588452649	958424714	/nfs/dbraw/zinc/42/47/14/958424714.db2.gz	QHBOQMRCIKUGKC-SECBINFHSA-N	-1	0	280.328	0.726	20	30		CCEDRM
C=C[C@@H](O)c1nnc(N2CC[C@H](C(=O)[O-])C2)n1CCOC	ZINC001588453377	958436158	/nfs/dbraw/zinc/43/61/58/958436158.db2.gz	YCGQYHQDUJBMCK-VHSXEESVSA-N	-1	0	296.327	0.055	20	30		CCEDRM
C=CCC[C@@H](CO)NC(=O)C1(CC(=O)[O-])CCOCC1	ZINC001588457331	958447910	/nfs/dbraw/zinc/44/79/10/958447910.db2.gz	VJWUWLZBHLEUCG-NSHDSACASA-N	-1	0	285.340	0.701	20	30		CCEDRM
C=CC[C@@H](NC(=O)c1cc(C(=O)[O-])nn1C)C(=O)OCC	ZINC001588458677	958465118	/nfs/dbraw/zinc/46/51/18/958465118.db2.gz	XWCPNPRQHYFQML-MRVPVSSYSA-N	-1	0	295.295	0.356	20	30		CCEDRM
C=CCCN(C)C(=O)c1cccn(CC(=O)[O-])c1=O	ZINC001588459728	958468558	/nfs/dbraw/zinc/46/85/58/958468558.db2.gz	ADRZWFAHEHHVSF-UHFFFAOYSA-N	-1	0	264.281	0.581	20	30		CCEDRM
C=CCCOCC(=O)N[C@@H](CCC(=O)OC)C(=O)[O-]	ZINC001573328316	958498161	/nfs/dbraw/zinc/49/81/61/958498161.db2.gz	FUTWHQXFNOXBOP-VIFPVBQESA-N	-1	0	273.285	0.102	20	30		CCEDRM
C=CC[C@H](NC(=O)[C@@H](C(=O)[O-])C1CC1)C(=O)OCC	ZINC001573328320	958498182	/nfs/dbraw/zinc/49/81/82/958498182.db2.gz	GBNBINCPXPUGJV-UWVGGRQHSA-N	-1	0	269.297	0.721	20	30		CCEDRM
C=CCn1c([C@H](O)C=C)nnc1N1CC[C@](C)(C(=O)[O-])C1	ZINC001588470069	958522234	/nfs/dbraw/zinc/52/22/34/958522234.db2.gz	BGWMAWSTLGGVMI-YGRLFVJLSA-N	-1	0	292.339	0.985	20	30		CCEDRM
C=C[C@@H]1OCCC[C@H]1NC(=O)[C@H]1CC(C(=O)[O-])=NO1	ZINC001588474689	958558083	/nfs/dbraw/zinc/55/80/83/958558083.db2.gz	NGXQNWATRGVHDT-FKTZTGRPSA-N	-1	0	268.269	0.066	20	30		CCEDRM
N#Cc1cc(F)ccc1NC(=O)NCC(=O)NCC(=O)[O-]	ZINC000126728466	958601694	/nfs/dbraw/zinc/60/16/94/958601694.db2.gz	QUYCNMFNWIIYII-UHFFFAOYSA-N	-1	0	294.242	0.020	20	30		CCEDRM
C[C@H](C(=O)N1[C@H](C)CC[C@@H]1C(=O)[O-])n1cnc(C#N)n1	ZINC001573362926	958603020	/nfs/dbraw/zinc/60/30/20/958603020.db2.gz	HGRQPINYYMUPHR-IWSPIJDZSA-N	-1	0	277.284	0.175	20	30		CCEDRM
C[C@@](C#N)(CC(=O)[O-])C(=O)Nc1cc(CO)cc(CO)c1	ZINC001573362891	958603754	/nfs/dbraw/zinc/60/37/54/958603754.db2.gz	GKBOZJVYMACHKN-AWEZNQCLSA-N	-1	0	292.291	0.614	20	30		CCEDRM
CC(C)(C)CN(CCC#N)CCS(=O)(=O)CC(=O)[O-]	ZINC001573406313	958728859	/nfs/dbraw/zinc/72/88/59/958728859.db2.gz	QPSYFUAUGGSVEZ-UHFFFAOYSA-N	-1	0	290.385	0.748	20	30		CCEDRM
C[C@@](C#N)(CC(=O)[O-])C(=O)N1CC2(C1)CCCOC2	ZINC001588536403	958933468	/nfs/dbraw/zinc/93/34/68/958933468.db2.gz	XPENWNTVRSBWKU-LBPRGKRZSA-N	-1	0	266.297	0.630	20	30		CCEDRM
C[C@@](C#N)(CC(=O)[O-])C(=O)N[C@@H]1CCc2cncn2C1	ZINC001588538491	958941037	/nfs/dbraw/zinc/94/10/37/958941037.db2.gz	IUCLVVZJDVJIJS-RNCFNFMXSA-N	-1	0	276.296	0.319	20	30		CCEDRM
C[C@](C#N)(CC(=O)[O-])C(=O)N1CCO[C@H](C(=O)C2CC2)C1	ZINC001588538586	958942210	/nfs/dbraw/zinc/94/22/10/958942210.db2.gz	KTQHJZPFDPCUGW-IINYFYTJSA-N	-1	0	294.307	0.197	20	30		CCEDRM
C[C@@](C#N)(CC(=O)[O-])C(=O)N[C@@H](CO)c1ccsc1	ZINC001588538604	958942431	/nfs/dbraw/zinc/94/24/31/958942431.db2.gz	LHRLOWDWBNPECC-CABZTGNLSA-N	-1	0	282.321	0.902	20	30		CCEDRM
C[C@@](C#N)(CC(=O)[O-])C(=O)NCc1cnc2n1CCCC2	ZINC001588542309	958970972	/nfs/dbraw/zinc/97/09/72/958970972.db2.gz	WMUZOWRXOAHPEP-AWEZNQCLSA-N	-1	0	290.323	0.840	20	30		CCEDRM
C[C@](C#N)(NC(=O)COC(=O)[C@H](C(=O)[O-])C1CC1)C1CC1	ZINC001588542714	958972540	/nfs/dbraw/zinc/97/25/40/958972540.db2.gz	CEXQPRUJLVQHMP-SMDDNHRTSA-N	-1	0	294.307	0.449	20	30		CCEDRM
C[C@H](C#N)CNC(=O)N1C[C@H](C(=O)[O-])C[C@H](C)C1	ZINC001588542668	958972628	/nfs/dbraw/zinc/97/26/28/958972628.db2.gz	BODVXELJJLFNPP-IVZWLZJFSA-N	-1	0	253.302	0.898	20	30		CCEDRM
C[C@H](C#N)CNC(=O)NC[C@@H]1CCC2(CC(C(=O)[O-])C2)O1	ZINC001588543451	958979784	/nfs/dbraw/zinc/97/97/84/958979784.db2.gz	MDWHZJPIZCIGGI-ICYKSAPQSA-N	-1	0	295.339	0.858	20	30		CCEDRM
C[C@@H](C#N)CN(C)S(=O)(=O)N([C@H](C)C(=O)[O-])C1CC1	ZINC001588543588	958981608	/nfs/dbraw/zinc/98/16/08/958981608.db2.gz	OBFPPVULQSPLRL-DTWKUNHWSA-N	-1	0	289.357	0.260	20	30		CCEDRM
C[C@](C#N)(CC(=O)[O-])C(=O)NCC[C@@]1(O)CCCOC1	ZINC001588558431	959085092	/nfs/dbraw/zinc/08/50/92/959085092.db2.gz	UYCQILVTQBBMDI-OLZOCXBDSA-N	-1	0	284.312	0.039	20	30		CCEDRM
C#CC[C@@H](NS(=O)(=O)c1ccc([N+](=O)[O-])cc1)C(=O)[O-]	ZINC000159580674	959122156	/nfs/dbraw/zinc/12/21/56/959122156.db2.gz	MYZONMWKAKFIJI-SNVBAGLBSA-N	-1	0	298.276	0.350	20	30		CCEDRM
C[C@](O)(CNC(=O)[C@H](C#N)CCc1ccccc1)C(=O)[O-]	ZINC001573583060	959360733	/nfs/dbraw/zinc/36/07/33/959360733.db2.gz	RPHKDZGQJYOXCG-WFASDCNBSA-N	-1	0	290.319	0.711	20	30		CCEDRM
Cc1nc(C)n(C2CN(C(=O)[C@](C)(C#N)CC(=O)[O-])C2)n1	ZINC001594450457	959367246	/nfs/dbraw/zinc/36/72/46/959367246.db2.gz	OUPMAOMUWOXUEH-ZDUSSCGKSA-N	-1	0	291.311	0.283	20	30		CCEDRM
Cc1nc(NC(=O)[C@](C)(C#N)CC(=O)[O-])nn1C	ZINC001594456017	959415892	/nfs/dbraw/zinc/41/58/92/959415892.db2.gz	DTIUDHGWAQJXEA-JTQLQIEISA-N	-1	0	251.246	0.067	20	30		CCEDRM
CC(C)(C(=O)[O-])n1ccc(NC(=O)N2CC(C#N)C2)n1	ZINC001588623981	959559644	/nfs/dbraw/zinc/55/96/44/959559644.db2.gz	UBRKBKSFGAZJOZ-UHFFFAOYSA-N	-1	0	277.284	0.690	20	30		CCEDRM
CC(C)(C)[C@H](C(=O)[O-])C(=O)N1CCN(C2CC2)[C@@H](C#N)C1	ZINC001588632633	959623858	/nfs/dbraw/zinc/62/38/58/959623858.db2.gz	WONYIAMHHHNNPT-RYUDHWBXSA-N	-1	0	293.367	0.932	20	30		CCEDRM
Cc1c(C#N)cccc1C(=O)NC[C@@](C)(O)C(=O)[O-]	ZINC001594252869	959627860	/nfs/dbraw/zinc/62/78/60/959627860.db2.gz	HTMYBUNSXDSFAZ-CYBMUJFWSA-N	-1	0	262.265	0.432	20	30		CCEDRM
Cc1c(C(=O)N2CC[C@H](C(=O)[O-])C2)cnn1CCC#N	ZINC001594255842	959646724	/nfs/dbraw/zinc/64/67/24/959646724.db2.gz	OPFMHIIZSLRACP-JTQLQIEISA-N	-1	0	276.296	0.652	20	30		CCEDRM
Cc1nn(C)cc1CNC(=O)[C@@](C)(C#N)CC(=O)[O-]	ZINC001594484481	959657450	/nfs/dbraw/zinc/65/74/50/959657450.db2.gz	OOXGNMVHHBADCI-GFCCVEGCSA-N	-1	0	264.285	0.349	20	30		CCEDRM
C[C@@]1(C(=O)[O-])CCN(c2cnc(C#N)c(C#N)n2)C1	ZINC001573654204	959664093	/nfs/dbraw/zinc/66/40/93/959664093.db2.gz	YDJZLPBFRALHMM-GFCCVEGCSA-N	-1	0	257.253	0.521	20	30		CCEDRM
Cc1c(C(=O)N2CCOC[C@H]2C(=O)[O-])cnn1CCC#N	ZINC001594257840	959668998	/nfs/dbraw/zinc/66/89/98/959668998.db2.gz	PZXPDSRCRTZCTD-NSHDSACASA-N	-1	0	292.295	0.031	20	30		CCEDRM
Cc1c(C(=O)N[C@H]2C[C@H](C(=O)[O-])C2)cnn1CCC#N	ZINC001594258760	959670971	/nfs/dbraw/zinc/67/09/71/959670971.db2.gz	BIYGOLAMAFGMLZ-MGCOHNPYSA-N	-1	0	276.296	0.698	20	30		CCEDRM
Cc1c(C(=O)Nc2c[nH]nc2C(=O)[O-])cnn1CCC#N	ZINC001594258982	959676828	/nfs/dbraw/zinc/67/68/28/959676828.db2.gz	YMSVIWSJWPZVKM-UHFFFAOYSA-N	-1	0	288.267	0.779	20	30		CCEDRM
C[C@@](O)(CNc1cc(C#N)nc(C2CC2)n1)C(=O)[O-]	ZINC001603263449	972449971	/nfs/dbraw/zinc/44/99/71/972449971.db2.gz	LITAHKRUFBYDFY-GFCCVEGCSA-N	-1	0	262.269	0.473	20	30		CCEDRM
C=CCNS(=O)(=O)c1ccc(C(=O)[O-])cc1OC	ZINC000223690299	959838513	/nfs/dbraw/zinc/83/85/13/959838513.db2.gz	AOBJFVVVBLTAHQ-UHFFFAOYSA-N	-1	0	271.294	0.858	20	30		CCEDRM
C[C@@H](OC(=O)[C@@](C)(C#N)CC(=O)[O-])c1nnnn1C1CC1	ZINC001603268644	972468174	/nfs/dbraw/zinc/46/81/74/972468174.db2.gz	LTFDXSYROXEZMK-JMCQJSRRSA-N	-1	0	293.283	0.617	20	30		CCEDRM
C#CC[C@@H](NC(=O)c1cccc2nccnc21)C(=O)[O-]	ZINC000228271813	960007038	/nfs/dbraw/zinc/00/70/38/960007038.db2.gz	PVJZGWNUUUTIAE-LLVKDONJSA-N	-1	0	269.260	0.836	20	30		CCEDRM
C[C@@H](OC(=O)[C@@](C)(C#N)CC(=O)[O-])C(=O)C1CC1	ZINC001603269161	972474137	/nfs/dbraw/zinc/47/41/37/972474137.db2.gz	UQUQXLBSEYLNGI-JMCQJSRRSA-N	-1	0	253.254	0.902	20	30		CCEDRM
C=CCNC(=O)NC(=O)CN1CC[C@H](C)C[C@@H]1C(=O)[O-]	ZINC000229301486	960073358	/nfs/dbraw/zinc/07/33/58/960073358.db2.gz	BTFHBUKRWNDNEQ-VHSXEESVSA-N	-1	0	283.328	0.183	20	30		CCEDRM
CCN(C[C@@H](C)C#N)C(=O)c1cc(C(=O)[O-])on1	ZINC000230046519	960116733	/nfs/dbraw/zinc/11/67/33/960116733.db2.gz	AOGPDSCSKYDCKT-ZETCQYMHSA-N	-1	0	251.242	0.995	20	30		CCEDRM
CC(C)(C)CN(CC(=O)[O-])CC(=O)NC1(C#N)CCC1	ZINC001588655851	960411186	/nfs/dbraw/zinc/41/11/86/960411186.db2.gz	QWFQQMIJOIRWSC-UHFFFAOYSA-N	-1	0	281.356	0.982	20	30		CCEDRM
COc1cncc(CNC(=O)[C@@](C)(C#N)CC(=O)[O-])c1	ZINC001574238115	960444822	/nfs/dbraw/zinc/44/48/22/960444822.db2.gz	JTNMYRWSJNKHCK-CYBMUJFWSA-N	-1	0	277.280	0.711	20	30		CCEDRM
C[C@](Cn1cccn1)(NC(=O)c1c[nH]c(C#N)c1)C(=O)[O-]	ZINC001571029901	960470865	/nfs/dbraw/zinc/47/08/65/960470865.db2.gz	YCASZFQIGUPTNJ-CYBMUJFWSA-N	-1	0	287.279	0.356	20	30		CCEDRM
COc1ncc(NC(=O)COCC(=O)[O-])cc1C#N	ZINC001574244567	960484181	/nfs/dbraw/zinc/48/41/81/960484181.db2.gz	NUVFDHAPFRZQMD-UHFFFAOYSA-N	-1	0	265.225	0.002	20	30		CCEDRM
N#Cc1ccc(CC(=O)Nc2cc(C(=O)[O-])n[nH]2)cn1	ZINC001574245402	960489201	/nfs/dbraw/zinc/48/92/01/960489201.db2.gz	OWKCBRDKPKEUQB-UHFFFAOYSA-N	-1	0	271.236	0.556	20	30		CCEDRM
COC[C@@H](C)S(=O)(=O)N1CCC(C#N)(C(=O)[O-])CC1	ZINC001571037902	960547658	/nfs/dbraw/zinc/54/76/58/960547658.db2.gz	DMJPBRJWHWUFOK-SECBINFHSA-N	-1	0	290.341	0.041	20	30		CCEDRM
CN(C[C@H](O)c1cccc(C#N)c1)C(=O)CCC(=O)[O-]	ZINC001604124278	972524006	/nfs/dbraw/zinc/52/40/06/972524006.db2.gz	GIHKPPIBKLZBBC-LBPRGKRZSA-N	-1	0	276.292	0.915	20	30		CCEDRM
CCOC(=O)CC[C@@H](C)NC(=O)[C@@](C)(C#N)CC(=O)[O-]	ZINC001573894213	961369788	/nfs/dbraw/zinc/36/97/88/961369788.db2.gz	AMQLUUVVAQMLPK-NOZJJQNGSA-N	-1	0	284.312	0.839	20	30		CCEDRM
CC(C)[C@@](C)(C#N)NC(=O)CN(CC(=O)[O-])CC1CC1	ZINC001588812269	961525773	/nfs/dbraw/zinc/52/57/73/961525773.db2.gz	GXWIKPIRTBRYPL-CQSZACIVSA-N	-1	0	281.356	0.837	20	30		CCEDRM
CC(C)[C@@H](CNC(=O)NC1CCN(CC#N)CC1)C(=O)[O-]	ZINC001588822606	961639949	/nfs/dbraw/zinc/63/99/49/961639949.db2.gz	CSJZTHPPJYDBIN-GFCCVEGCSA-N	-1	0	296.371	0.630	20	30		CCEDRM
N#CC1(CNC(=O)c2cn(CC(=O)[O-])nn2)CCCC1	ZINC001574480695	961665694	/nfs/dbraw/zinc/66/56/94/961665694.db2.gz	OUQMAHOEKNLLEL-UHFFFAOYSA-N	-1	0	277.284	0.176	20	30		CCEDRM
N#Cc1cccc([C@@H](O)CN2CCO[C@H](C(=O)[O-])C2)c1	ZINC001574489590	961704348	/nfs/dbraw/zinc/70/43/48/961704348.db2.gz	KPYIYTLGYZKRGM-STQMWFEESA-N	-1	0	276.292	0.377	20	30		CCEDRM
N#Cc1ccnc(C(=O)N[C@H]2CC[C@@H](C(=O)[O-])C2)c1	ZINC001574494162	961725652	/nfs/dbraw/zinc/72/56/52/961725652.db2.gz	XUFPHQCEYDOCCE-ZJUUUORDSA-N	-1	0	259.265	0.936	20	30		CCEDRM
COC(=O)c1cc(NC(=O)[C@](C)(C#N)CC(=O)[O-])n(C)n1	ZINC001574083795	962314067	/nfs/dbraw/zinc/31/40/67/962314067.db2.gz	ZIZVVFJIKMSXFF-LBPRGKRZSA-N	-1	0	294.267	0.150	20	30		CCEDRM
C#C[C@H](CO)NC(=O)c1cc(C(=O)[O-])nn1-c1ccccc1	ZINC001573301989	962642318	/nfs/dbraw/zinc/64/23/18/962642318.db2.gz	HXDNWJZTLDFFDH-SNVBAGLBSA-N	-1	0	299.286	0.294	20	30		CCEDRM
C#CC[C@@H](NC(=O)c1cc(F)cc(F)c1N)C(=O)[O-]	ZINC001573303204	962673878	/nfs/dbraw/zinc/67/38/78/962673878.db2.gz	LSUXWAMNNSUYKJ-SECBINFHSA-N	-1	0	268.219	0.753	20	30		CCEDRM
C#CCCCCC(=O)N(C)CCNC(=O)[C@@H]1C[C@H]1C(=O)[O-]	ZINC001573303350	962675461	/nfs/dbraw/zinc/67/54/61/962675461.db2.gz	NGUQHOPUAVVAQB-VXGBXAGGSA-N	-1	0	294.351	0.475	20	30		CCEDRM
C=C(C)C[C@H](NC(=O)c1cc(C(=O)OC)no1)C(=O)[O-]	ZINC001573322386	962769779	/nfs/dbraw/zinc/76/97/79/962769779.db2.gz	XTGURXBDJXVLTP-ZETCQYMHSA-N	-1	0	282.252	0.610	20	30		CCEDRM
C=C(C)CCC(=O)NC[C@H](C)N(C)C(=O)CNC(=O)[O-]	ZINC001573323853	962776244	/nfs/dbraw/zinc/77/62/44/962776244.db2.gz	IRAINGDPSQYECG-JTQLQIEISA-N	-1	0	285.344	0.573	20	30		CCEDRM
C=C(C)CCC(=O)N[C@H]1C[C@H](NC(=O)CNC(=O)[O-])C1	ZINC001573324022	962780492	/nfs/dbraw/zinc/78/04/92/962780492.db2.gz	MBTXFKPPFUHORU-MGCOHNPYSA-N	-1	0	283.328	0.374	20	30		CCEDRM
C=C(CCC(=O)[O-])C(=O)N[C@H]1CCN(CC)C1=O	ZINC001573333066	962849416	/nfs/dbraw/zinc/84/94/16/962849416.db2.gz	TWTMIIHETFIQPZ-VIFPVBQESA-N	-1	0	254.286	0.144	20	30		CCEDRM
C=C(CCC(=O)[O-])C(=O)N[C@H](CO)[C@H](O)c1cccnc1	ZINC001573333114	962851466	/nfs/dbraw/zinc/85/14/66/962851466.db2.gz	VLTFSSCZZRIGNH-DGCLKSJQSA-N	-1	0	294.307	0.013	20	30		CCEDRM
C=C(Cl)CN1CC[C@H](NC(=O)CNC(=O)[O-])C[C@@H]1C	ZINC001573338457	962874910	/nfs/dbraw/zinc/87/49/10/962874910.db2.gz	BKMQENPIZVBUDQ-UWVGGRQHSA-N	-1	0	289.763	0.976	20	30		CCEDRM
COc1ccc(C#N)cc1NC(=O)[C@H]1CC(C(=O)[O-])=NO1	ZINC001574195975	962875891	/nfs/dbraw/zinc/87/58/91/962875891.db2.gz	HVNFLSHRUMNLAK-LLVKDONJSA-N	-1	0	289.247	0.735	20	30		CCEDRM
C=C(Cl)CN(CC)CCNC(=O)[C@H]1C[C@@H]1C(=O)[O-]	ZINC001573338685	962879113	/nfs/dbraw/zinc/87/91/13/962879113.db2.gz	GBGYKRBWLMYVMO-UWVGGRQHSA-N	-1	0	274.748	0.898	20	30		CCEDRM
C=C(Cl)CN1C[C@@H](C)[C@H](NC(=O)CNC(=O)[O-])C1	ZINC001573343913	962909377	/nfs/dbraw/zinc/90/93/77/962909377.db2.gz	MBXZGVOKLBMTBM-VXNVDRBHSA-N	-1	0	275.736	0.443	20	30		CCEDRM
C=C(Cl)CN1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1C[C@H]1C(=O)[O-]	ZINC001573344309	962917064	/nfs/dbraw/zinc/91/70/64/962917064.db2.gz	SMBHVIDSHVDTII-OGBGREFGSA-N	-1	0	284.743	0.506	20	30		CCEDRM
C=C[C@@](C)(CC)C(=O)NC[C@H]1CCN1C(=O)CNC(=O)[O-]	ZINC001573347525	962949236	/nfs/dbraw/zinc/94/92/36/962949236.db2.gz	LGYOHKREFCGQCV-YGRLFVJLSA-N	-1	0	297.355	0.573	20	30		CCEDRM
COc1cc(CN2C[C@@H](O)C[C@H]2C(=O)[O-])ccc1C#N	ZINC000300204943	962992459	/nfs/dbraw/zinc/99/24/59/962992459.db2.gz	KYGDBPZELBZKIU-RYUDHWBXSA-N	-1	0	276.292	0.587	20	30		CCEDRM
CC(=O)N[C@@H](CSc1cnc(C#N)cn1)C(=O)[O-]	ZINC000300448848	963009768	/nfs/dbraw/zinc/00/97/68/963009768.db2.gz	TVIUVMWICCKTRA-QMMMGPOBSA-N	-1	0	266.282	0.030	20	30		CCEDRM
C=CCCCC(=O)N[C@@H]1CN(C(=O)CNC(=O)[O-])C[C@H]1C	ZINC001573358317	963026060	/nfs/dbraw/zinc/02/60/60/963026060.db2.gz	YJAYOUVRTJSOBB-GHMZBOCLSA-N	-1	0	297.355	0.573	20	30		CCEDRM
C=C[C@@H]1OCC[C@H]1C(=O)Nc1c(C(=O)[O-])c(C)nn1C	ZINC001573379801	963111510	/nfs/dbraw/zinc/11/15/10/963111510.db2.gz	XHBOFTFGZHYOGL-BDAKNGLRSA-N	-1	0	279.296	0.956	20	30		CCEDRM
COCC(C)(C)C(=O)N1CCC(C#N)(C(=O)[O-])CC1	ZINC001570989769	963142072	/nfs/dbraw/zinc/14/20/72/963142072.db2.gz	QBKGRXZKUFKQLG-UHFFFAOYSA-N	-1	0	268.313	0.876	20	30		CCEDRM
C[C@@H](CS(=O)(=O)Nc1cccc(CC#N)n1)C(=O)[O-]	ZINC001571019974	963339694	/nfs/dbraw/zinc/33/96/94/963339694.db2.gz	PQYYZVHTQDSONH-QMMMGPOBSA-N	-1	0	283.309	0.610	20	30		CCEDRM
C#CCN(CC)S(=O)(=O)c1cc(C(=O)[O-])no1	ZINC000315637272	963921083	/nfs/dbraw/zinc/92/10/83/963921083.db2.gz	QTKYMGKEBCUIRZ-UHFFFAOYSA-N	-1	0	258.255	0.017	20	30		CCEDRM
C#CCCCn1nnnc1N1CCC(CC(=O)[O-])CC1	ZINC001588447017	964082299	/nfs/dbraw/zinc/08/22/99/964082299.db2.gz	CJRKMKVCKJRIAK-UHFFFAOYSA-N	-1	0	277.328	0.778	20	30		CCEDRM
C#CCN(CC(=O)[O-])C(=O)N[C@@H]1CCO[C@@H](C)C1	ZINC000235607557	967766894	/nfs/dbraw/zinc/76/68/94/967766894.db2.gz	VURTZWHOXNTFTJ-VHSXEESVSA-N	-1	0	254.286	0.283	20	30		CCEDRM
C=CCn1cnnc1SCCS(=O)(=O)CC(=O)[O-]	ZINC001609636879	970430766	/nfs/dbraw/zinc/43/07/66/970430766.db2.gz	PTMJBNQBSROLBB-UHFFFAOYSA-N	-1	0	291.354	0.056	20	30		CCEDRM
C[C@@](O)(CNC(=O)[C@]1(C#N)CC12CCCC2)C(=O)[O-]	ZINC001609943288	970614785	/nfs/dbraw/zinc/61/47/85/970614785.db2.gz	QAHBVZZFNISHRB-DGCLKSJQSA-N	-1	0	266.297	0.412	20	30		CCEDRM
C=CC[C@@H](CO)NS(=O)(=O)c1ccc(C)c(C(=O)[O-])c1	ZINC000320142839	970620245	/nfs/dbraw/zinc/62/02/45/970620245.db2.gz	BSCPKQXKNSWPKU-JTQLQIEISA-N	-1	0	299.348	0.909	20	30		CCEDRM
C=CC[C@H](CO)NS(=O)(=O)c1cc(C(=O)[O-])ccc1C	ZINC000321085139	970741992	/nfs/dbraw/zinc/74/19/92/970741992.db2.gz	IVBWPIXQVUFXMC-LLVKDONJSA-N	-1	0	299.348	0.909	20	30		CCEDRM
CC1(C)C[C@@]1(C(=O)[O-])C(=O)N1CCO[C@@](C)(C#N)C1	ZINC001603290488	972546553	/nfs/dbraw/zinc/54/65/53/972546553.db2.gz	NWJAHOGUIFBSSQ-STQMWFEESA-N	-1	0	266.297	0.628	20	30		CCEDRM
COC(=O)CCN(CC#N)C(=O)C(C)(C)C(=O)[O-]	ZINC001604304523	972955858	/nfs/dbraw/zinc/95/58/58/972955858.db2.gz	SFJHQJYSBMBBMR-UHFFFAOYSA-N	-1	0	256.258	0.012	20	30		CCEDRM
COC(=O)CCN(CC#N)C(=O)[C@@H](C(=O)[O-])C1CC1	ZINC001604304711	972957674	/nfs/dbraw/zinc/95/76/74/972957674.db2.gz	XQXBFQFIRFQUJI-JTQLQIEISA-N	-1	0	268.269	0.012	20	30		CCEDRM
CO[C@@H](C(=O)[O-])C(=O)Nc1ccc(C#N)cc1C(C)=O	ZINC001604434099	973230141	/nfs/dbraw/zinc/23/01/41/973230141.db2.gz	JHJCWUIUTZQHGU-LLVKDONJSA-N	-1	0	276.248	0.799	20	30		CCEDRM
Cc1ncc(COC(=O)[C@@](C)(C#N)CC(=O)[O-])cn1	ZINC001605421376	973446068	/nfs/dbraw/zinc/44/60/68/973446068.db2.gz	VZCAFOZSAHZSGD-GFCCVEGCSA-N	-1	0	263.253	0.833	20	30		CCEDRM
CC[C@@](C)(C#N)C(=O)N(CCC(=O)OC)CC(=O)[O-]	ZINC001603504555	973479511	/nfs/dbraw/zinc/47/95/11/973479511.db2.gz	CCDRGQDDHAYCJZ-LBPRGKRZSA-N	-1	0	270.285	0.403	20	30		CCEDRM
O=C([O-])[C@H]1C[C@@H](O)CN(C(=O)C#Cc2ccccc2)C1	ZINC000401909820	973522965	/nfs/dbraw/zinc/52/29/65/973522965.db2.gz	SORSRONDXSJYNQ-QWHCGFSZSA-N	-1	0	273.288	0.332	20	30		CCEDRM
Cc1nc(C#N)cc(NC[C@H](CC2CC2)C(=O)[O-])n1	ZINC000405237079	973796630	/nfs/dbraw/zinc/79/66/30/973796630.db2.gz	FFZNBPRHDNSANL-JTQLQIEISA-N	-1	0	260.297	0.991	20	30		CCEDRM
N#CCCCNC(=O)[C@H]1CO[C@H](CCC(=O)[O-])C1	ZINC001605581478	973857062	/nfs/dbraw/zinc/85/70/62/973857062.db2.gz	AFNUDAPXSVUJBL-NXEZZACHSA-N	-1	0	254.286	0.676	20	30		CCEDRM
N#CC1(COC(=O)[C@H]2CCCN(CC(=O)[O-])C2=O)CC1	ZINC001605582650	973865631	/nfs/dbraw/zinc/86/56/31/973865631.db2.gz	AWSDOPGLGUGGGN-VIFPVBQESA-N	-1	0	280.280	0.157	20	30		CCEDRM
N#CC1(NC(=O)[C@@H]2CO[C@H](CCC(=O)[O-])C2)CCOCC1	ZINC001605583650	973874327	/nfs/dbraw/zinc/87/43/27/973874327.db2.gz	XMZVRKUVPCPUPL-WDEREUQCSA-N	-1	0	296.323	0.445	20	30		CCEDRM
N#CCc1cccc(NC(=O)C(=O)NCCC(=O)[O-])c1	ZINC001605601456	973902989	/nfs/dbraw/zinc/90/29/89/973902989.db2.gz	KHFQURXPDLNASG-UHFFFAOYSA-N	-1	0	275.264	0.282	20	30		CCEDRM
NC(=O)CNN=C(CCC(=O)[O-])Cc1ccccc1	ZINC001605631997	973981093	/nfs/dbraw/zinc/98/10/93/973981093.db2.gz	XSIDMVNQGDSSOZ-UHFFFAOYSA-N	-1	0	263.297	0.525	20	30		CCEDRM
COc1ccncc1CNC(=O)[C@](C)(C#N)CC(=O)[O-]	ZINC001604899085	974159588	/nfs/dbraw/zinc/15/95/88/974159588.db2.gz	WGLBCOIQOFZCIM-ZDUSSCGKSA-N	-1	0	277.280	0.711	20	30		CCEDRM
COc1cncc(NC(=O)[C@](C)(C#N)CC(=O)[O-])n1	ZINC001604906576	974170412	/nfs/dbraw/zinc/17/04/12/974170412.db2.gz	MXSNQPRHKPUZGR-NSHDSACASA-N	-1	0	264.241	0.428	20	30		CCEDRM
CC(C)[C@H](C#N)NS(=O)(=O)c1cncc(C(=O)[O-])c1	ZINC001591852072	976132167	/nfs/dbraw/zinc/13/21/67/976132167.db2.gz	CDWYEOICELJSPV-JTQLQIEISA-N	-1	0	283.309	0.606	20	30		CCEDRM
C[C@@H](CC#N)C(=O)N[C@H](CCC1OCCO1)C(=O)[O-]	ZINC001592210863	977257169	/nfs/dbraw/zinc/25/71/69/977257169.db2.gz	HKMWPDBSZCVKOL-DTWKUNHWSA-N	-1	0	270.285	0.259	20	30		CCEDRM
C[C@H](CC#N)NC(=O)[C@H]1CC[C@@H](CCC(=O)[O-])O1	ZINC001592221584	977401732	/nfs/dbraw/zinc/40/17/32/977401732.db2.gz	LAUGTBMRJSLNJA-KXUCPTDWSA-N	-1	0	254.286	0.817	20	30		CCEDRM
C[C@@H](CC#N)N[C@H]1CCCN(CCC(=O)[O-])C1=O	ZINC001592221915	977403134	/nfs/dbraw/zinc/40/31/34/977403134.db2.gz	OMOLNPXAWOBBCT-UWVGGRQHSA-N	-1	0	253.302	0.344	20	30		CCEDRM
CC[C@@H](CC#N)OC(=O)CN1CCC[C@@H](C(=O)[O-])C1=O	ZINC001595029560	979159681	/nfs/dbraw/zinc/15/96/81/979159681.db2.gz	CQHPNCREGFVGKF-VHSXEESVSA-N	-1	0	282.296	0.545	20	30		CCEDRM
C[C@H](CS(=O)(=O)NCc1ccc(CC#N)cc1)C(=O)[O-]	ZINC001592816744	979518181	/nfs/dbraw/zinc/51/81/81/979518181.db2.gz	RSTACSCCAHEBNK-SNVBAGLBSA-N	-1	0	296.348	0.893	20	30		CCEDRM
C[C@H](NC(=O)N1CC(O)(C(=O)[O-])C1)c1ccc(C#N)cc1	ZINC001593049891	980339163	/nfs/dbraw/zinc/33/91/63/980339163.db2.gz	BGMXSGVPIQSBHK-VIFPVBQESA-N	-1	0	289.291	0.460	20	30		CCEDRM
CCC[C@@H](C#N)NS(=O)(=O)c1csnc1C(=O)[O-]	ZINC001595533418	981375512	/nfs/dbraw/zinc/37/55/12/981375512.db2.gz	VVCJSXBUBHQPBC-LURJTMIESA-N	-1	0	289.338	0.812	20	30		CCEDRM
CC[C@](C)(C#N)C(=O)N[C@@H](CC1OCCO1)C(=O)[O-]	ZINC001594778144	981772854	/nfs/dbraw/zinc/77/28/54/981772854.db2.gz	IZWZLTVPOGLWCB-QPUJVOFHSA-N	-1	0	270.285	0.259	20	30		CCEDRM
CC[C@H](C)[C@@H](NC(=O)CN(C)C[C@H](C)C#N)C(=O)[O-]	ZINC001594887508	982273334	/nfs/dbraw/zinc/27/33/34/982273334.db2.gz	QQYLJBAKXSAEAN-JFGNBEQYSA-N	-1	0	269.345	0.693	20	30		CCEDRM
C#C[C@H](C)N(C)S(=O)(=O)c1cccnc1C(=O)[O-]	ZINC001588367886	983301898	/nfs/dbraw/zinc/30/18/98/983301898.db2.gz	CBMLZNUXOGKSQQ-QMMMGPOBSA-N	-1	0	268.294	0.422	20	30		CCEDRM
C#C[C@@H](C)N(C)S(=O)(=O)CC1(C(=O)[O-])CCC1	ZINC001588368116	983303473	/nfs/dbraw/zinc/30/34/73/983303473.db2.gz	GTCJZOPYRCBAPT-SECBINFHSA-N	-1	0	259.327	0.525	20	30		CCEDRM
C#C[C@H](NC(=O)N1CC[C@]2(CC(C(=O)[O-])=NO2)C1)C(C)C	ZINC001588372113	983328082	/nfs/dbraw/zinc/32/80/82/983328082.db2.gz	DJMKHBAAQLCBIU-HZMBPMFUSA-N	-1	0	293.323	0.659	20	30		CCEDRM
C#C[C@@H](NC(=O)NC1CC(CC(=O)[O-])C1)[C@@H]1CCCO1	ZINC001588372186	983328552	/nfs/dbraw/zinc/32/85/52/983328552.db2.gz	FHOBMGBCSYRYPL-HCWSGVFWSA-N	-1	0	280.324	0.720	20	30		CCEDRM
C#C[C@H](NC(=O)NC[C@@H](CC(=O)[O-])C1CC1)[C@H]1CCCO1	ZINC001588372280	983329454	/nfs/dbraw/zinc/32/94/54/983329454.db2.gz	HJFLJWUIMIPTPS-FRRDWIJNSA-N	-1	0	294.351	0.967	20	30		CCEDRM
C#C[C@@H](NC(=O)N1C[C@@H](C)[C@H](C(=O)[O-])C1)[C@H]1CCCO1	ZINC001588372412	983330569	/nfs/dbraw/zinc/33/05/69/983330569.db2.gz	KFDSDJGHCZSFSI-DDHJBXDOSA-N	-1	0	280.324	0.529	20	30		CCEDRM
C#C[C@@H](NC(=O)CN1CCC[C@H](C(=O)[O-])C1=O)C(C)(C)C	ZINC001588372461	983331237	/nfs/dbraw/zinc/33/12/37/983331237.db2.gz	LEHDRBCSMNEUER-WDEREUQCSA-N	-1	0	294.351	0.474	20	30		CCEDRM
C#C[C@@H](Nc1ccnc(C(=O)[O-])n1)C1CCOCC1	ZINC001588375604	983345705	/nfs/dbraw/zinc/34/57/05/983345705.db2.gz	CSMSPTNCWPLRIE-SNVBAGLBSA-N	-1	0	261.281	0.437	20	30		CCEDRM
C#CC1(F)CN(C(=O)NCc2ncc(C(=O)[O-])s2)C1	ZINC001588376517	983351769	/nfs/dbraw/zinc/35/17/69/983351769.db2.gz	UGTAXAQRMNAJFQ-UHFFFAOYSA-N	-1	0	283.284	0.708	20	30		CCEDRM
C#C[C@@H]1CCCCN1S(=O)(=O)C1(C(=O)[O-])CCC1	ZINC001588382086	983368643	/nfs/dbraw/zinc/36/86/43/983368643.db2.gz	GADUBCIOFCEZNU-SNVBAGLBSA-N	-1	0	271.338	0.811	20	30		CCEDRM
C#C[C@@H]1CCCN(S(=O)(=O)c2cncc(C(=O)[O-])c2)C1	ZINC001588382761	983373845	/nfs/dbraw/zinc/37/38/45/983373845.db2.gz	HLNQDMVNKVKEAD-SNVBAGLBSA-N	-1	0	294.332	0.814	20	30		CCEDRM
C#C[C@@H]1CCCN(CC(=O)N[C@@H](C(=O)[O-])[C@@H](C)CC)C1	ZINC001588383440	983381113	/nfs/dbraw/zinc/38/11/13/983381113.db2.gz	ZNZNXTCGEQAUJV-OUCADQQQSA-N	-1	0	280.368	0.947	20	30		CCEDRM
C#CCC(C)(C)C(=O)N1CCO[C@@H](CC(=O)[O-])C1	ZINC001588383562	983382814	/nfs/dbraw/zinc/38/28/14/983382814.db2.gz	DJOXKTFFRDVNBD-JTQLQIEISA-N	-1	0	253.298	0.738	20	30		CCEDRM
C#CC[C@H](COC)N1C(=O)[C@@H]2C[C@@H](C(=O)[O-])CCN2C1=O	ZINC001588395332	983405559	/nfs/dbraw/zinc/40/55/59/983405559.db2.gz	SKDAVTWKOBQJOC-AXFHLTTASA-N	-1	0	294.307	0.152	20	30		CCEDRM
C#CC[C@H](NC(=O)/C=C/c1cc(C(=O)OC)co1)C(=O)[O-]	ZINC001588404899	983419487	/nfs/dbraw/zinc/41/94/87/983419487.db2.gz	BFVJHQHDAZBDDV-QRGHLMKCSA-N	-1	0	291.259	0.672	20	30		CCEDRM
C#CC[C@@H](NC(=O)CCC(C)(C)[N+](=O)[O-])C(=O)[O-]	ZINC001588405299	983420836	/nfs/dbraw/zinc/42/08/36/983420836.db2.gz	FNWVJTQFYAUPES-MRVPVSSYSA-N	-1	0	256.258	0.415	20	30		CCEDRM
C#CC[C@H](NC(=O)CNC(=O)C1CCCCC1)C(=O)[O-]	ZINC001588405408	983421294	/nfs/dbraw/zinc/42/12/94/983421294.db2.gz	NJJDWSNYOGQRJC-NSHDSACASA-N	-1	0	280.324	0.276	20	30		CCEDRM
C#CC[C@@H](NC(=O)COc1ccc(C=O)cc1)C(=O)[O-]	ZINC001588405921	983423360	/nfs/dbraw/zinc/42/33/60/983423360.db2.gz	VGXFPRVMZLKBMR-GFCCVEGCSA-N	-1	0	275.260	0.471	20	30		CCEDRM
C#CC[C@H](NC(=O)/C=C/[C@H]1COC(C)(C)O1)C(=O)[O-]	ZINC001588406248	983424740	/nfs/dbraw/zinc/42/47/40/983424740.db2.gz	OCRMNNCJUQKNMA-CAFLDADYSA-N	-1	0	267.281	0.287	20	30		CCEDRM
C#CC[C@H](NC(=O)/C=C\[C@H]1COC(C)(C)O1)C(=O)[O-]	ZINC001588406251	983424775	/nfs/dbraw/zinc/42/47/75/983424775.db2.gz	OCRMNNCJUQKNMA-QTPDZXDFSA-N	-1	0	267.281	0.287	20	30		CCEDRM
C#CC[C@H](NC(=O)c1c[nH]c(Br)c1)C(=O)[O-]	ZINC001588413746	983432039	/nfs/dbraw/zinc/43/20/39/983432039.db2.gz	HFEYYGZTWOTRJW-ZETCQYMHSA-N	-1	0	285.097	0.984	20	30		CCEDRM
C#CC[C@@H](NC(=O)c1cnc(C(C)=O)s1)C(=O)[O-]	ZINC001588417040	983438161	/nfs/dbraw/zinc/43/81/61/983438161.db2.gz	VPNAVIINCJAPRT-SSDOTTSWSA-N	-1	0	266.278	0.552	20	30		CCEDRM
C#CC[C@@H](NC(=O)c1ccc2nc[nH]c2n1)C(=O)[O-]	ZINC001588417195	983439055	/nfs/dbraw/zinc/43/90/55/983439055.db2.gz	ZTAXIYGYVIMCED-SECBINFHSA-N	-1	0	258.237	0.164	20	30		CCEDRM
C#CC[C@H](NCc1cc(C(=O)OC)co1)C(=O)[O-]	ZINC001588421559	983441615	/nfs/dbraw/zinc/44/16/15/983441615.db2.gz	AEELXXPWPSTQLA-JTQLQIEISA-N	-1	0	251.238	0.632	20	30		CCEDRM
C#CC[C@H](NCc1ccc(OCC(=O)[O-])cc1)C(=O)OC	ZINC001588422298	983445699	/nfs/dbraw/zinc/44/56/99/983445699.db2.gz	IQWUSBCQDNYQQX-ZDUSSCGKSA-N	-1	0	291.303	0.805	20	30		CCEDRM
C#CC[C@H](NS(=O)(=O)c1ccc(C(F)F)o1)C(=O)[O-]	ZINC001588423766	983454020	/nfs/dbraw/zinc/45/40/20/983454020.db2.gz	OZSMZUMUKQLNJW-LURJTMIESA-N	-1	0	293.247	0.972	20	30		CCEDRM
C#CC[C@@H](NS(=O)(=O)CC(CC)CC)C(=O)[O-]	ZINC001588424519	983455468	/nfs/dbraw/zinc/45/54/68/983455468.db2.gz	WOURLXIIDDNKCM-SNVBAGLBSA-N	-1	0	261.343	0.819	20	30		CCEDRM
C#CC[C@H](NS(=O)(=O)c1cnccc1OCC)C(=O)[O-]	ZINC001588428457	983461677	/nfs/dbraw/zinc/46/16/77/983461677.db2.gz	PDZCXFDNYVELQH-VIFPVBQESA-N	-1	0	298.320	0.235	20	30		CCEDRM
C#CC[C@H](NS(=O)(=O)c1cnn(CC2CC2)c1)C(=O)[O-]	ZINC001588428453	983461809	/nfs/dbraw/zinc/46/18/09/983461809.db2.gz	PCXZUOVFUDNKNY-NSHDSACASA-N	-1	0	297.336	0.048	20	30		CCEDRM
C#CC[C@@H]1CCN(C(=O)Cn2cccc(C(=O)[O-])c2=O)C1	ZINC001588434895	983473546	/nfs/dbraw/zinc/47/35/46/983473546.db2.gz	XJLLDKGUKYCNDC-LLVKDONJSA-N	-1	0	288.303	0.418	20	30		CCEDRM
C#CCC[C@@H](O)CNC(=O)c1c(C)coc1CC(=O)[O-]	ZINC001588435118	983474704	/nfs/dbraw/zinc/47/47/04/983474704.db2.gz	DBOQDCMAYFZXEC-SNVBAGLBSA-N	-1	0	279.292	0.719	20	30		CCEDRM
C#CCC[C@@H](O)CNC(=O)Nc1ccc(C(=O)[O-])cn1	ZINC001588435114	983474731	/nfs/dbraw/zinc/47/47/31/983474731.db2.gz	CWAYSAOBSXCBJD-SNVBAGLBSA-N	-1	0	277.280	0.676	20	30		CCEDRM
C#CCCS(=O)(=O)N[C@@H]1CCCn2nc(C(=O)[O-])cc21	ZINC001588457437	983481569	/nfs/dbraw/zinc/48/15/69/983481569.db2.gz	AIVKIJVYIRBFIC-SECBINFHSA-N	-1	0	297.336	0.359	20	30		CCEDRM
C#CCN(C(=O)C(=O)N[C@H]1CC=C(C(=O)[O-])C1)C(C)C	ZINC001588458344	983483238	/nfs/dbraw/zinc/48/32/38/983483238.db2.gz	NICDTFSXCOWYEX-NSHDSACASA-N	-1	0	278.308	0.146	20	30		CCEDRM
C#CCN(C1CC1)S(=O)(=O)c1ccc(C(=O)[O-])nc1	ZINC001588463842	983492457	/nfs/dbraw/zinc/49/24/57/983492457.db2.gz	OJYGXCQYMPPXFF-UHFFFAOYSA-N	-1	0	280.305	0.566	20	30		CCEDRM
C#CCN(CC#C)S(=O)(=O)c1cccnc1C(=O)[O-]	ZINC001588464855	983494974	/nfs/dbraw/zinc/49/49/74/983494974.db2.gz	PMOQUEJJNPTICV-UHFFFAOYSA-N	-1	0	278.289	0.037	20	30		CCEDRM
C#CCN(C/C(C)=C\C(=O)[O-])[C@H]1CCS(=O)(=O)C1	ZINC001588468563	983501357	/nfs/dbraw/zinc/50/13/57/983501357.db2.gz	ZDQUCPMFIISRSV-BRNRAETOSA-N	-1	0	271.338	0.140	20	30		CCEDRM
CCN(C(=O)Cn1cc(C(=O)[O-])cn1)[C@@H](C)C#N	ZINC001596148187	983504407	/nfs/dbraw/zinc/50/44/07/983504407.db2.gz	ULUVNOZUAGQJDH-QMMMGPOBSA-N	-1	0	250.258	0.342	20	30		CCEDRM
C#CCN1CCC[C@@H](Nc2cncc(C(=O)[O-])n2)C1	ZINC001588477541	983516839	/nfs/dbraw/zinc/51/68/39/983516839.db2.gz	TYLGRXODIKVSJL-SNVBAGLBSA-N	-1	0	260.297	0.684	20	30		CCEDRM
C#CCNC(=O)[C@@H](C)OC(=O)[C@H]1CC[C@@H](CCC(=O)[O-])O1	ZINC001588479488	983520149	/nfs/dbraw/zinc/52/01/49/983520149.db2.gz	PQJYWPRCLCOQQP-OUAUKWLOSA-N	-1	0	297.307	0.080	20	30		CCEDRM
C#CCNC(=O)COc1cccc(C(=O)[O-])c1[N+](=O)[O-]	ZINC001588484106	983522798	/nfs/dbraw/zinc/52/27/98/983522798.db2.gz	QGNAJFPXPCGFOF-UHFFFAOYSA-N	-1	0	278.220	0.421	20	30		CCEDRM
C#CCNC(=O)N[C@@H](C)c1ncc(C(=O)[O-])s1	ZINC001588484002	983522949	/nfs/dbraw/zinc/52/29/49/983522949.db2.gz	NRXJKGWDQJHYFS-LURJTMIESA-N	-1	0	253.283	0.835	20	30		CCEDRM
C#CCOCCC(=O)N[C@H](C(=O)[O-])c1cccc(OC)c1	ZINC001588489929	983529913	/nfs/dbraw/zinc/52/99/13/983529913.db2.gz	OXCZUYGMORAWRZ-AWEZNQCLSA-N	-1	0	291.303	0.977	20	30		CCEDRM
C#CCO[C@H](C)C(=O)N1[C@@H]2C[C@H](C(=O)[O-])O[C@H]2CC[C@H]1C	ZINC001588490842	983534502	/nfs/dbraw/zinc/53/45/02/983534502.db2.gz	ZQRFUYHKCTVREG-NJMOYASZSA-N	-1	0	295.335	0.646	20	30		CCEDRM
C#CCOCCNC(=O)N1CCSC[C@@H](C(=O)[O-])C1	ZINC001588491428	983536505	/nfs/dbraw/zinc/53/65/05/983536505.db2.gz	MQBMTEIHJQFPHO-JTQLQIEISA-N	-1	0	286.353	0.095	20	30		CCEDRM
CCN([C@@H](C)C#N)S(=O)(=O)c1cc(C(=O)[O-])cn1C	ZINC001596177831	983546794	/nfs/dbraw/zinc/54/67/94/983546794.db2.gz	HWVSYSNYIZHSGF-QMMMGPOBSA-N	-1	0	285.325	0.646	20	30		CCEDRM
C#CCSCC(=O)N[C@H](C(=O)[O-])c1cccnc1	ZINC001588505190	983549830	/nfs/dbraw/zinc/54/98/30/983549830.db2.gz	YAWFHJDJYHNYTQ-NSHDSACASA-N	-1	0	264.306	0.690	20	30		CCEDRM
C#Cc1ccc(C(=O)N[C@@H](C(=O)[O-])C2CCOCC2)nc1	ZINC001588510856	983557732	/nfs/dbraw/zinc/55/77/32/983557732.db2.gz	MMPGWBVLRJQNIN-CYBMUJFWSA-N	-1	0	288.303	0.673	20	30		CCEDRM
C#Cc1ccc(C(=O)N[C@H]2CC=C(C(=O)[O-])C2)cn1	ZINC001588510861	983557749	/nfs/dbraw/zinc/55/77/49/983557749.db2.gz	MPAKAFGAAWYQJE-LBPRGKRZSA-N	-1	0	256.261	0.966	20	30		CCEDRM
C#Cc1ccc(C(=O)N2CCSC[C@H](C(=O)[O-])C2)nc1	ZINC001588510921	983558106	/nfs/dbraw/zinc/55/81/06/983558106.db2.gz	OPOVJQYUOFBMOG-LLVKDONJSA-N	-1	0	290.344	0.953	20	30		CCEDRM
C#Cc1ccc(C(=O)NC[C@H]2[C@@H](C(=O)[O-])C2(F)F)nc1	ZINC001588516286	983560510	/nfs/dbraw/zinc/56/05/10/983560510.db2.gz	FWCTWIKDODYOSY-WPRPVWTQSA-N	-1	0	280.230	0.759	20	30		CCEDRM
C#Cc1ccc(C(=O)NC[C@H]2[C@@H](C(=O)[O-])C2(F)F)cn1	ZINC001588516206	983560514	/nfs/dbraw/zinc/56/05/14/983560514.db2.gz	DGCMVMATLYAZAD-UWVGGRQHSA-N	-1	0	280.230	0.759	20	30		CCEDRM
C#Cc1ccc(C(=O)N[C@H](CCC(=O)OC)C(=O)[O-])cn1	ZINC001588516539	983561319	/nfs/dbraw/zinc/56/13/19/983561319.db2.gz	NTTPEENWAYECDQ-LLVKDONJSA-N	-1	0	290.275	0.199	20	30		CCEDRM
C#Cc1ccc(C(=O)N[C@H](CCC(=O)[O-])C(=O)OC)cc1	ZINC001588516723	983561869	/nfs/dbraw/zinc/56/18/69/983561869.db2.gz	YIURVFQDAUMXQW-GFCCVEGCSA-N	-1	0	289.287	0.804	20	30		CCEDRM
C#Cc1cncc(C(=O)N2CC(c3cc(C(=O)[O-])n[nH]3)C2)c1	ZINC001588529294	983580776	/nfs/dbraw/zinc/58/07/76/983580776.db2.gz	VSVYWQVYVJJJHF-UHFFFAOYSA-N	-1	0	296.286	0.724	20	30		CCEDRM
CCN(CC#N)C(=O)CCc1ocnc1C(=O)[O-]	ZINC001596200035	983583517	/nfs/dbraw/zinc/58/35/17/983583517.db2.gz	CFAMTBWDXMHMHQ-UHFFFAOYSA-N	-1	0	251.242	0.677	20	30		CCEDRM
C=C(C)C[C@H](CO)NC(=O)c1ccnc(C(=O)[O-])c1	ZINC001588536491	983593831	/nfs/dbraw/zinc/59/38/31/983593831.db2.gz	BUODUZBETGACCB-SNVBAGLBSA-N	-1	0	264.281	0.837	20	30		CCEDRM
C=C(C)C[C@@H](NC(=O)[C@@H]1CCCn2ncnc21)C(=O)[O-]	ZINC001588540762	983604791	/nfs/dbraw/zinc/60/47/91/983604791.db2.gz	MMJHKFIQIMVSGQ-NXEZZACHSA-N	-1	0	278.312	0.691	20	30		CCEDRM
C=C(C)C[C@H](NC(=O)[C@H]1CCCn2ncnc21)C(=O)[O-]	ZINC001588540765	983604819	/nfs/dbraw/zinc/60/48/19/983604819.db2.gz	MMJHKFIQIMVSGQ-UWVGGRQHSA-N	-1	0	278.312	0.691	20	30		CCEDRM
C=C(C)C[C@H](NC(=O)[C@H]1CCCN(C2CC2)C1=O)C(=O)[O-]	ZINC001588541423	983607629	/nfs/dbraw/zinc/60/76/29/983607629.db2.gz	YWLYFCWZTZUDFF-NEPJUHHUSA-N	-1	0	294.351	0.923	20	30		CCEDRM
C=C(C)C[C@H](NC(=O)CNC(=O)c1cccnc1)C(=O)[O-]	ZINC001588542809	983609632	/nfs/dbraw/zinc/60/96/32/983609632.db2.gz	ROQUUPOIYBLRMB-NSHDSACASA-N	-1	0	291.307	0.347	20	30		CCEDRM
C=C(C)C[C@H](NC(C)=O)C(=O)N1CCO[C@@H](CC(=O)[O-])C1	ZINC001588548690	983624879	/nfs/dbraw/zinc/62/48/79/983624879.db2.gz	WTWLCRWWLJTYOJ-RYUDHWBXSA-N	-1	0	298.339	0.159	20	30		CCEDRM
C=C(C)C[C@H](NC(=O)c1ccc[nH]c1=O)C(=O)[O-]	ZINC001588548749	983625167	/nfs/dbraw/zinc/62/51/67/983625167.db2.gz	SWTMTLXLTOIBES-VIFPVBQESA-N	-1	0	250.254	0.936	20	30		CCEDRM
C=C(C)COCCNC(=O)C(=O)N1CC[C@H](C(=O)[O-])[C@@H]1C	ZINC001588569594	983649284	/nfs/dbraw/zinc/64/92/84/983649284.db2.gz	GGLPQIWYQDNEES-QWRGUYRKSA-N	-1	0	298.339	0.017	20	30		CCEDRM
C=C(C)CS(=O)(=O)N[C@H]1C[C@@H]2C[C@]2(C(=O)[O-])C1	ZINC001588576884	983654352	/nfs/dbraw/zinc/65/43/52/983654352.db2.gz	DXCLYLSHTVORHZ-YWVKMMECSA-N	-1	0	259.327	0.735	20	30		CCEDRM
C=C(C)CNC(=O)N1CCC(n2cc(C(=O)[O-])nn2)CC1	ZINC001588584693	983661638	/nfs/dbraw/zinc/66/16/38/983661638.db2.gz	BHPXLNOLLWNLNM-UHFFFAOYSA-N	-1	0	293.327	0.899	20	30		CCEDRM
C=C(CCC(=O)[O-])C(=O)N(C)[C@H]1CCC(=O)N(C)C1	ZINC001588606622	983697813	/nfs/dbraw/zinc/69/78/13/983697813.db2.gz	BHWRHKHAHLBHKG-JTQLQIEISA-N	-1	0	268.313	0.487	20	30		CCEDRM
C=C(CCC(=O)[O-])C(=O)N1CCOC[C@@H]1COC	ZINC001588618961	983714196	/nfs/dbraw/zinc/71/41/96/983714196.db2.gz	GQWJHZSURLHLKN-JTQLQIEISA-N	-1	0	257.286	0.281	20	30		CCEDRM
C=C(CCC(=O)[O-])C(=O)N1CC[S@](=O)C[C@@H](C)C1	ZINC001588619522	983717494	/nfs/dbraw/zinc/71/74/94/983717494.db2.gz	WOETZBZIUXMIJO-YYSFKGJASA-N	-1	0	273.354	0.634	20	30		CCEDRM
C=C(CCC(=O)[O-])C(=O)N1CCOC[C@H]1CCO	ZINC001588619609	983717819	/nfs/dbraw/zinc/71/78/19/983717819.db2.gz	ZGMNPOYZLGBTIM-SNVBAGLBSA-N	-1	0	257.286	0.017	20	30		CCEDRM
C=C(CCC(=O)[O-])C(=O)N[C@@H](CO)C[C@@H]1CCCO1	ZINC001588621905	983721418	/nfs/dbraw/zinc/72/14/18/983721418.db2.gz	MDSCERXXVNOOQI-MNOVXSKESA-N	-1	0	271.313	0.454	20	30		CCEDRM
C=C(CCC(=O)[O-])C(=O)N[C@]1(CCOC)CCOC1	ZINC001588622386	983723307	/nfs/dbraw/zinc/72/33/07/983723307.db2.gz	WYIMAHWUYQZQSK-CYBMUJFWSA-N	-1	0	271.313	0.719	20	30		CCEDRM
C=C(CCC(=O)[O-])C(=O)NCCN1CC[N@@H+](C)C(C)(C)C1	ZINC001588624327	983731659	/nfs/dbraw/zinc/73/16/59/983731659.db2.gz	FHJPMHGXQWVNEW-UHFFFAOYSA-N	-1	0	297.399	0.550	20	30		CCEDRM
C=C(CCC(=O)[O-])C(=O)NCC[C@H]1CC(=O)N(C)C1	ZINC001588624379	983731768	/nfs/dbraw/zinc/73/17/68/983731768.db2.gz	HBQQABAPLABEQG-JTQLQIEISA-N	-1	0	268.313	0.392	20	30		CCEDRM
C=C(CCC(=O)[O-])C(=O)NCCOC[C@@H]1CCCO1	ZINC001588624433	983732000	/nfs/dbraw/zinc/73/20/00/983732000.db2.gz	IKJXTYTWVTWHOW-NSHDSACASA-N	-1	0	271.313	0.719	20	30		CCEDRM
C=C(CCC(=O)[O-])C(=O)NC[C@H]1CCOC[C@H]1OC	ZINC001588624463	983732913	/nfs/dbraw/zinc/73/29/13/983732913.db2.gz	JSDSZDYZHJZWLG-GHMZBOCLSA-N	-1	0	271.313	0.575	20	30		CCEDRM
C=C(CCC(=O)[O-])C(=O)NCc1nncn1C(C)C	ZINC001588630726	983746072	/nfs/dbraw/zinc/74/60/72/983746072.db2.gz	ZKDNVXSFOXUQQJ-UHFFFAOYSA-N	-1	0	266.301	0.896	20	30		CCEDRM
C=C(CCC(=O)[O-])C(=O)Nc1nn(C)cc1C(=O)OCC	ZINC001588633582	983749987	/nfs/dbraw/zinc/74/99/87/983749987.db2.gz	PNBKIHAXUDYYLD-UHFFFAOYSA-N	-1	0	295.295	0.956	20	30		CCEDRM
C=C(CCC(=O)OC)C(=O)N[C@H](C[C@H]1CCCO1)C(=O)[O-]	ZINC001588633949	983751374	/nfs/dbraw/zinc/75/13/74/983751374.db2.gz	UTKDEOOLBKKGNM-GHMZBOCLSA-N	-1	0	299.323	0.634	20	30		CCEDRM
C=C(CCC(=O)OC)C(=O)N1C[C@@H](C)O[C@H](C(=O)[O-])C1	ZINC001588634195	983752535	/nfs/dbraw/zinc/75/25/35/983752535.db2.gz	YHWJTBVSCCTZHK-ZJUUUORDSA-N	-1	0	285.296	0.196	20	30		CCEDRM
C=C(CO)C(=O)Nc1ccn(C(C)(C)C(=O)[O-])n1	ZINC001588637914	983761534	/nfs/dbraw/zinc/76/15/34/983761534.db2.gz	YQHPJLQJBIVMQZ-UHFFFAOYSA-N	-1	0	253.258	0.190	20	30		CCEDRM
C=C(Cl)CNS(=O)(=O)c1cncc(C(=O)[O-])c1	ZINC001588643882	983767739	/nfs/dbraw/zinc/76/77/39/983767739.db2.gz	WDRYOJWFAXGKTQ-UHFFFAOYSA-N	-1	0	276.701	0.811	20	30		CCEDRM
C=CC(=O)N(CC)CC(=O)N1CCC(C#N)(C(=O)[O-])CC1	ZINC001588654747	983777528	/nfs/dbraw/zinc/77/75/28/983777528.db2.gz	KGORBALAVOQFTP-UHFFFAOYSA-N	-1	0	293.323	0.238	20	30		CCEDRM
CCN(CCNc1ncc(C(=O)[O-])cn1)C(=O)[C@@H](C)C#N	ZINC001596340941	983790653	/nfs/dbraw/zinc/79/06/53/983790653.db2.gz	LMJCTKQIDHHZKU-VIFPVBQESA-N	-1	0	291.311	0.595	20	30		CCEDRM
C=CC(C)(C)C(=O)NC[C@]1(C(=O)[O-])C[C@@H]1S(C)(=O)=O	ZINC001588671489	983820203	/nfs/dbraw/zinc/82/02/03/983820203.db2.gz	BOTHIHTYQPUVRU-QPUJVOFHSA-N	-1	0	289.353	0.203	20	30		CCEDRM
C=C[C@@](C)(O)CC(=O)N1CCC[C@@]1(COC)C(=O)[O-]	ZINC001588683679	983849774	/nfs/dbraw/zinc/84/97/74/983849774.db2.gz	BTMDKFOCWLPAON-CHWSQXEVSA-N	-1	0	271.313	0.406	20	30		CCEDRM
C=C[C@](C)(O)CC(=O)N1C[C@H](OC)C[C@@]1(C)C(=O)[O-]	ZINC001588683898	983852907	/nfs/dbraw/zinc/85/29/07/983852907.db2.gz	GUQUCLTVGGPAHW-ICCXJUOJSA-N	-1	0	271.313	0.404	20	30		CCEDRM
C=C[C@@](C)(O)CC(=O)N[C@]1(CC(=O)[O-])CCOC1	ZINC001588684337	983858593	/nfs/dbraw/zinc/85/85/93/983858593.db2.gz	OXXZWUJICOCIBF-NEPJUHHUSA-N	-1	0	257.286	0.064	20	30		CCEDRM
C=C[C@@H](C)NC(=O)C(=O)Nc1cc(C)[nH]c1C(=O)[O-]	ZINC001588687343	983870259	/nfs/dbraw/zinc/87/02/59/983870259.db2.gz	NKZSWTVLKJLCJU-ZCFIWIBFSA-N	-1	0	265.269	0.651	20	30		CCEDRM
C=C[C@H](COC)NC(=O)Nc1c(C(=O)[O-])cnn1C	ZINC001588693105	983889767	/nfs/dbraw/zinc/88/97/67/983889767.db2.gz	RHBCQYLDSOGPQW-SSDOTTSWSA-N	-1	0	268.273	0.441	20	30		CCEDRM
C=C[C@H](COC)NC(=O)C(=O)N1CCC[C@@](C)(C(=O)[O-])C1	ZINC001588693059	983889817	/nfs/dbraw/zinc/88/98/17/983889817.db2.gz	QCGLKWTZRVAKJX-QMTHXVAHSA-N	-1	0	298.339	0.017	20	30		CCEDRM
C=C[C@@H](O)C(=O)Nc1ccc(OCC(=O)[O-])cc1C	ZINC001588704955	983925481	/nfs/dbraw/zinc/92/54/81/983925481.db2.gz	JCJNDOROASXQLY-LLVKDONJSA-N	-1	0	265.265	0.944	20	30		CCEDRM
C=C[C@@H](OC(=O)[C@H](C)Cc1cnn(C)c1)C(=O)[O-]	ZINC001588705217	983926548	/nfs/dbraw/zinc/92/65/48/983926548.db2.gz	LLIVZKDVWQYDMB-PSASIEDQSA-N	-1	0	252.270	0.781	20	30		CCEDRM
C=C[C@@H](OC(=O)[C@H](OC)C(=O)OC(C)(C)C)C(=O)[O-]	ZINC001588705903	983928823	/nfs/dbraw/zinc/92/88/23/983928823.db2.gz	RVONBLSQBNXVBX-SFYZADRCSA-N	-1	0	274.269	0.526	20	30		CCEDRM
C=C[C@H](OC(=O)[C@@H]1CCC[C@H](C(N)=O)C1)C(=O)[O-]	ZINC001588710569	983932770	/nfs/dbraw/zinc/93/27/70/983932770.db2.gz	FKAKDOUSMWSXNN-YIZRAAEISA-N	-1	0	255.270	0.461	20	30		CCEDRM
C=C[C@@H](OC(=O)[C@@H]1COCCN1CC(F)(F)F)C(=O)[O-]	ZINC001588710863	983934489	/nfs/dbraw/zinc/93/44/89/983934489.db2.gz	JGSKGUHFTJZHNX-JGVFFNPUSA-N	-1	0	297.229	0.432	20	30		CCEDRM
C=C[C@H](OC(=O)CN1CCN(C2CC2)C1=O)C(=O)[O-]	ZINC001588712403	983943841	/nfs/dbraw/zinc/94/38/41/983943841.db2.gz	VTCZDPQYQIJIEM-VIFPVBQESA-N	-1	0	268.269	0.069	20	30		CCEDRM
C=C[C@H](OC(=O)c1ccc(C(=O)OC)o1)C(=O)[O-]	ZINC001588712772	983946364	/nfs/dbraw/zinc/94/63/64/983946364.db2.gz	NFMDUESLYRTTGP-LURJTMIESA-N	-1	0	254.194	0.862	20	30		CCEDRM
C=C[C@H](OC(=O)c1cc(C(=O)OC)nn1C)C(=O)[O-]	ZINC001588713187	983948350	/nfs/dbraw/zinc/94/83/50/983948350.db2.gz	RWJSXWKOGLQTKJ-QMMMGPOBSA-N	-1	0	268.225	0.003	20	30		CCEDRM
C=CC[C@@H](C(=O)[O-])N1CCN(c2nc(N)ns2)CC1	ZINC001588728294	983981527	/nfs/dbraw/zinc/98/15/27/983981527.db2.gz	BYRSDFNLHZWJFL-QMMMGPOBSA-N	-1	0	283.357	0.272	20	30		CCEDRM
C=CCC(CC=C)C(=O)N[C@H](Cn1cncn1)C(=O)[O-]	ZINC001588737182	984028437	/nfs/dbraw/zinc/02/84/37/984028437.db2.gz	GCZQMRVURFKDBJ-LLVKDONJSA-N	-1	0	278.312	0.616	20	30		CCEDRM
C=CCC(F)(F)C(=O)N1CCC[C@@H](O)[C@H]1C(=O)[O-]	ZINC001588743048	984036092	/nfs/dbraw/zinc/03/60/92/984036092.db2.gz	QITPYZUGLCGPNL-SFYZADRCSA-N	-1	0	263.240	0.634	20	30		CCEDRM
C=CCC(F)(F)C(=O)N1CC[C@@](OC)(C(=O)[O-])C1	ZINC001588743959	984040491	/nfs/dbraw/zinc/04/04/91/984040491.db2.gz	FZYLWDPVDFUAGS-JTQLQIEISA-N	-1	0	263.240	0.900	20	30		CCEDRM
C=CC[C@H](NCc1nc(C(N)=O)cs1)C(=O)[O-]	ZINC001588749347	984064943	/nfs/dbraw/zinc/06/49/43/984064943.db2.gz	ILUICIPQCGZJFZ-LURJTMIESA-N	-1	0	255.299	0.361	20	30		CCEDRM
C=CC[C@H](OC(=O)C(=O)c1cnn(C)c1)C(=O)[O-]	ZINC001588750967	984074386	/nfs/dbraw/zinc/07/43/86/984074386.db2.gz	IOXWBMLUFSHFDT-QMMMGPOBSA-N	-1	0	252.226	0.175	20	30		CCEDRM
C=CC[C@@H](OC(=O)C(=O)c1cnn(CC)c1)C(=O)[O-]	ZINC001588751908	984078580	/nfs/dbraw/zinc/07/85/80/984078580.db2.gz	QQONBGVNSDRKCK-SECBINFHSA-N	-1	0	266.253	0.658	20	30		CCEDRM
C=CC[C@@H](OC(=O)[C@H]1CCCS1(=O)=O)C(=O)[O-]	ZINC001588753891	984090164	/nfs/dbraw/zinc/09/01/64/984090164.db2.gz	POTFLEFXKNSRSZ-HTQZYQBOSA-N	-1	0	262.283	0.136	20	30		CCEDRM
C=CC[C@@H](OC(=O)c1c[nH]c(C(=O)OC)c1)C(=O)[O-]	ZINC001588756591	984098438	/nfs/dbraw/zinc/09/84/38/984098438.db2.gz	MAVBDKVGYMAILP-SECBINFHSA-N	-1	0	267.237	0.987	20	30		CCEDRM
C=CC[C@@H](Sc1nnnn1C[C@H]1CCCO1)C(=O)[O-]	ZINC001588763249	984118766	/nfs/dbraw/zinc/11/87/66/984118766.db2.gz	QUTWJDGSQSITRN-RKDXNWHRSA-N	-1	0	284.341	0.974	20	30		CCEDRM
C=CC[C@@H]1NC(=O)N(CC(C)(C)CC(=O)[O-])C1=O	ZINC001588773634	984148347	/nfs/dbraw/zinc/14/83/47/984148347.db2.gz	CEAPTOWEMPZBMC-QMMMGPOBSA-N	-1	0	254.286	0.984	20	30		CCEDRM
C=CCC[C@@H]1NC(=O)N(C[C@H]2CCO[C@H]2C(=O)[O-])C1=O	ZINC001588782062	984169872	/nfs/dbraw/zinc/16/98/72/984169872.db2.gz	NTHLPISFWBKXJV-KXUCPTDWSA-N	-1	0	282.296	0.363	20	30		CCEDRM
C=CCCC[C@H](NC(=O)CN(C)C(C)=O)C(=O)[O-]	ZINC001588788985	984195274	/nfs/dbraw/zinc/19/52/74/984195274.db2.gz	UIPQAPYOXQQLIA-JTQLQIEISA-N	-1	0	256.302	0.390	20	30		CCEDRM
C=CCCC[C@@H](NC(=O)C[C@H]1CC(=O)N1)C(=O)[O-]	ZINC001588789449	984198503	/nfs/dbraw/zinc/19/85/03/984198503.db2.gz	BQFDJFCMKKRNMY-RKDXNWHRSA-N	-1	0	254.286	0.191	20	30		CCEDRM
C=CCCC[C@H](NC(=O)[C@]1(COC)CCOC1)C(=O)[O-]	ZINC001588789534	984199222	/nfs/dbraw/zinc/19/92/22/984199222.db2.gz	DPYMJBYECXIVRA-FZMZJTMJSA-N	-1	0	285.340	0.965	20	30		CCEDRM
C=CCCC[C@@H]1NC(=O)N(C[C@H]2C[C@H]2C(=O)[O-])C1=O	ZINC001588798806	984238758	/nfs/dbraw/zinc/23/87/58/984238758.db2.gz	RKGWAFZDZZPENJ-BBBLOLIVSA-N	-1	0	266.297	0.984	20	30		CCEDRM
C=CCCCS(=O)(=O)NC[C@]1(C(=O)[O-])CCOC1	ZINC001588805655	984255450	/nfs/dbraw/zinc/25/54/50/984255450.db2.gz	JNYSQHOCAQYJCB-LLVKDONJSA-N	-1	0	277.342	0.363	20	30		CCEDRM
C=CCCO[C@@H](C)C(=O)N[C@@](CC)(COC)C(=O)[O-]	ZINC001588809088	984265136	/nfs/dbraw/zinc/26/51/36/984265136.db2.gz	ZKMOWGLYYRURNH-GWCFXTLKSA-N	-1	0	273.329	0.964	20	30		CCEDRM
C=CCCON1C(=O)[C@@H]2CC[C@@H](C(=O)[O-])CN2C1=O	ZINC001588813356	984269779	/nfs/dbraw/zinc/26/97/79/984269779.db2.gz	PTZYUIHVZHWJOP-BDAKNGLRSA-N	-1	0	268.269	0.622	20	30		CCEDRM
C=CCCn1cc(C(=O)N[C@@H](C)/C=C\C(=O)[O-])nn1	ZINC001588817902	984277925	/nfs/dbraw/zinc/27/79/25/984277925.db2.gz	XWCUQDXKTNPCKY-UDIARPCQSA-N	-1	0	264.285	0.613	20	30		CCEDRM
C=CCN1CC[C@@H](OC(=O)c2cc(C(=O)[O-])no2)C1=O	ZINC001588838199	984336123	/nfs/dbraw/zinc/33/61/23/984336123.db2.gz	AXEQRJXMCSNNLR-MRVPVSSYSA-N	-1	0	280.236	0.317	20	30		CCEDRM
C=CCNC(=O)C(=O)Nc1sc(C)cc1C(=O)[O-]	ZINC001588838563	984339218	/nfs/dbraw/zinc/33/92/18/984339218.db2.gz	GTXDWFXLPLKWTA-UHFFFAOYSA-N	-1	0	268.294	0.995	20	30		CCEDRM
C=CCN1CC[C@@H](N[C@](C)(Cn2cccn2)C(=O)[O-])C1=O	ZINC001588839455	984346928	/nfs/dbraw/zinc/34/69/28/984346928.db2.gz	RTAVZAMQNWQMSX-BXUZGUMPSA-N	-1	0	292.339	0.103	20	30		CCEDRM
C=CCNC(=O)C(=O)N1C[C@@H](C(=O)[O-])Oc2ccccc21	ZINC001588839471	984346994	/nfs/dbraw/zinc/34/69/94/984346994.db2.gz	QZFLLDMUNHGRDE-NSHDSACASA-N	-1	0	290.275	0.167	20	30		CCEDRM
C=CCOC[C@@H](NC(=O)[C@H](O)C(C)(C)C)C(=O)[O-]	ZINC001588856345	984398765	/nfs/dbraw/zinc/39/87/65/984398765.db2.gz	YHPQTLQIKSPZAY-BDAKNGLRSA-N	-1	0	259.302	0.165	20	30		CCEDRM
C=CCOC[C@@H](NC(=O)c1c[nH]c(=O)cc1C)C(=O)[O-]	ZINC001588859180	984403969	/nfs/dbraw/zinc/40/39/69/984403969.db2.gz	CACCNGWCPXAFGD-SNVBAGLBSA-N	-1	0	280.280	0.481	20	30		CCEDRM
C=CCOC[C@@H](NC(=O)c1ccnc(F)c1OC)C(=O)[O-]	ZINC001588859957	984409645	/nfs/dbraw/zinc/40/96/45/984409645.db2.gz	CVSVXPFOVZLKRZ-SECBINFHSA-N	-1	0	298.270	0.615	20	30		CCEDRM
C=CCOC[C@@H](NC(=O)c1ccccc1O)C(=O)[O-]	ZINC001588862157	984417539	/nfs/dbraw/zinc/41/75/39/984417539.db2.gz	RDUCHMFGGLKQHM-SNVBAGLBSA-N	-1	0	265.265	0.778	20	30		CCEDRM
C=CCOC[C@H]1NC(=O)N(CCCCC(=O)[O-])C1=O	ZINC001588866941	984428960	/nfs/dbraw/zinc/42/89/60/984428960.db2.gz	UGOSRMSJAOEAMU-SECBINFHSA-N	-1	0	270.285	0.364	20	30		CCEDRM
C=CCOCCCN1C(=O)[C@@H]2C[C@H](C(=O)[O-])CCN2C1=O	ZINC001588867080	984430018	/nfs/dbraw/zinc/43/00/18/984430018.db2.gz	WILCQUCSFBBVDX-MNOVXSKESA-N	-1	0	296.323	0.707	20	30		CCEDRM
C=CCn1c([C@H](C)CO)nnc1N1C[C@@H](C)[C@H](C(=O)[O-])C1	ZINC001588895402	984493263	/nfs/dbraw/zinc/49/32/63/984493263.db2.gz	FIVRJZZTERSLSW-GMTAPVOTSA-N	-1	0	294.355	0.717	20	30		CCEDRM
C=C[C@@H]1OCC[C@H]1C(=O)NCc1ocnc1C(=O)[O-]	ZINC001588916297	984559376	/nfs/dbraw/zinc/55/93/76/984559376.db2.gz	DSTABRIFTKXBIF-SFYZADRCSA-N	-1	0	266.253	0.580	20	30		CCEDRM
C=C[C@@H]1OCC[C@H]1CN1C(=O)N[C@H]([C@@H]2C[C@H]2C(=O)[O-])C1=O	ZINC001588916656	984562323	/nfs/dbraw/zinc/56/23/23/984562323.db2.gz	XSYZEZFEAYWPCF-UNQZSWDGSA-N	-1	0	294.307	0.219	20	30		CCEDRM
CC#CCCNC(=O)C(=O)Nc1ccc(F)cc1C(=O)[O-]	ZINC001588926869	984594537	/nfs/dbraw/zinc/59/45/37/984594537.db2.gz	ATKIPQVWUIAOPF-UHFFFAOYSA-N	-1	0	292.266	0.992	20	30		CCEDRM
CCOC(=O)[C@@H]1CC[C@@H]1C(=O)N(CC#N)CC(=O)[O-]	ZINC001596677216	984750983	/nfs/dbraw/zinc/75/09/83/984750983.db2.gz	MUUOYKZVTFRGQZ-DTWKUNHWSA-N	-1	0	268.269	0.012	20	30		CCEDRM
Cc1c(C(=O)N[C@@H](C)/C=C\C(=O)[O-])cnn1CCC#N	ZINC001599979003	986135853	/nfs/dbraw/zinc/13/58/53/986135853.db2.gz	PZADOVMIHSKRLA-WBSSQXGSSA-N	-1	0	276.296	0.864	20	30		CCEDRM
C[C@@H](C#N)CN(C)S(=O)(=O)CC(C)(C)C(=O)[O-]	ZINC001589330855	986179123	/nfs/dbraw/zinc/17/91/23/986179123.db2.gz	SESPAIKJCACBAH-QMMMGPOBSA-N	-1	0	262.331	0.518	20	30		CCEDRM
C[C@H](C#N)CN(C)S(=O)(=O)NC1CC(CC(=O)[O-])C1	ZINC001589330921	986180335	/nfs/dbraw/zinc/18/03/35/986180335.db2.gz	VFZOLBCMMWLALY-XNWIYYODSA-N	-1	0	289.357	0.166	20	30		CCEDRM
C[C@H](C(=O)NC1(CC(=O)[O-])CCCC1)n1cnc(C#N)n1	ZINC001589390908	986506807	/nfs/dbraw/zinc/50/68/07/986506807.db2.gz	JQFADTNNLVWUIJ-SECBINFHSA-N	-1	0	291.311	0.614	20	30		CCEDRM
C[C@H](C(=O)N[C@H]1C[C@@H]2C[C@]2(C(=O)[O-])C1)n1cnc(C#N)n1	ZINC001589430105	986714410	/nfs/dbraw/zinc/71/44/10/986714410.db2.gz	QQYLUBQUDVIVTM-SKNMHBRKSA-N	-1	0	289.295	0.080	20	30		CCEDRM
C[C@H](C(=O)OCc1oncc1C(=O)[O-])n1cnc(C#N)n1	ZINC001589547713	987272505	/nfs/dbraw/zinc/27/25/05/987272505.db2.gz	SRTITCKGUYYUOX-ZCFIWIBFSA-N	-1	0	291.223	0.140	20	30		CCEDRM
CC(C)(C#N)CS(=O)(=O)N1CCSC[C@H]1C(=O)[O-]	ZINC001589559050	987311759	/nfs/dbraw/zinc/31/17/59/987311759.db2.gz	WXGVQDVPUFKSRY-QMMMGPOBSA-N	-1	0	292.382	0.368	20	30		CCEDRM
CCc1ccc(C#CC(=O)N[C@H](CO)C(=O)[O-])cc1	ZINC001597495025	988040810	/nfs/dbraw/zinc/04/08/10/988040810.db2.gz	OTSITJFTIKULFM-GFCCVEGCSA-N	-1	0	261.277	0.162	20	30		CCEDRM
C[C@@H]1CN(C(=O)NCC(C)(C)C#N)C[C@@H](C(=O)[O-])O1	ZINC001599857372	989110966	/nfs/dbraw/zinc/11/09/66/989110966.db2.gz	LNOFANXFZIUBFH-BDAKNGLRSA-N	-1	0	269.301	0.420	20	30		CCEDRM
C[C@@H]1CN(C[C@@H](C#N)CCC#N)C[C@@H](C(=O)[O-])O1	ZINC001599866098	989260742	/nfs/dbraw/zinc/26/07/42/989260742.db2.gz	WNYIZNMBNYXYNO-MXWKQRLJSA-N	-1	0	251.286	0.604	20	30		CCEDRM
C[C@@H]1CN(c2nnc([C@@H]3C[C@@H]3C#N)n2C)C[C@@H](C(=O)[O-])O1	ZINC001599869558	989327004	/nfs/dbraw/zinc/32/70/04/989327004.db2.gz	GBHPLCGTDNDZIF-KYXWUPHJSA-N	-1	0	291.311	0.120	20	30		CCEDRM
CC(C)(CC#N)CS(=O)(=O)N[C@H]1C[C@H](C(=O)[O-])C1	ZINC001590616879	990294279	/nfs/dbraw/zinc/29/42/79/990294279.db2.gz	SDCUQMOUTMVRAM-KYZUINATSA-N	-1	0	274.342	0.709	20	30		CCEDRM
CN([C@H](C(=O)[O-])c1ccc(C#N)cc1)[C@@H]1COC[C@H]1O	ZINC001598103733	990475997	/nfs/dbraw/zinc/47/59/97/990475997.db2.gz	RFUXYFIKZXEDJR-UPJWGTAASA-N	-1	0	276.292	0.375	20	30		CCEDRM
CN(C)C[C@](C)(C#N)NC(=O)/C=C/c1cc(C(=O)[O-])co1	ZINC001598199986	990810875	/nfs/dbraw/zinc/81/08/75/990810875.db2.gz	VPDUGBDFQVQBES-NNTXTVRGSA-N	-1	0	291.307	0.951	20	30		CCEDRM
CC(C)[C@@](C)(C#N)NC(=O)CN1CCC[C@@H](C(=O)[O-])C1=O	ZINC001590961704	991061671	/nfs/dbraw/zinc/06/16/71/991061671.db2.gz	WSSLXALEBCXGEO-QMTHXVAHSA-N	-1	0	295.339	0.364	20	30		CCEDRM
CN([C@@H]1CCC[C@@H]1C#N)S(=O)(=O)c1cc(C(=O)[O-])[nH]n1	ZINC001598370458	991532326	/nfs/dbraw/zinc/53/23/26/991532326.db2.gz	PISGXMJNDXXVBA-VXNVDRBHSA-N	-1	0	298.324	0.421	20	30		CCEDRM
CN(CC#N)C1CCN(C(=O)[C@@H]2C[C@H]2C(=O)[O-])CC1	ZINC001598376404	991566924	/nfs/dbraw/zinc/56/69/24/991566924.db2.gz	SSKAQUFZKABWPG-GHMZBOCLSA-N	-1	0	265.313	0.153	20	30		CCEDRM
COc1ccnc(N=NCc2cc(C(=O)[O-])no2)n1	ZINC001599722663	991567066	/nfs/dbraw/zinc/56/70/66/991567066.db2.gz	PLDZGVKWQMXMLZ-UHFFFAOYSA-N	-1	0	263.213	0.617	20	30		CCEDRM
CN(CC(=O)N(CC#N)CCC(=O)[O-])C(=O)OC(C)(C)C	ZINC001598379355	991574643	/nfs/dbraw/zinc/57/46/43/991574643.db2.gz	PSYKDXNOQJKBAH-UHFFFAOYSA-N	-1	0	299.327	0.680	20	30		CCEDRM
CN(CCC(=O)[O-])S(=O)(=O)NCC1(C#N)CCCC1	ZINC001598471566	992033592	/nfs/dbraw/zinc/03/35/92/992033592.db2.gz	ULRKHADPSIZSEV-UHFFFAOYSA-N	-1	0	289.357	0.311	20	30		CCEDRM
CN(CCNc1ncccc1C#N)C(=O)[C@H]1C[C@@H]1C(=O)[O-]	ZINC001598495788	992358108	/nfs/dbraw/zinc/35/81/08/992358108.db2.gz	OBXVFXNEYCDHSE-QWRGUYRKSA-N	-1	0	288.307	0.544	20	30		CCEDRM
CC(C)C[C@@H](C(=O)[O-])N(C)C(=O)[C@H](C)n1cnc(C#N)n1	ZINC001591423244	992508144	/nfs/dbraw/zinc/50/81/44/992508144.db2.gz	WFIQRCRRCLYZOI-UWVGGRQHSA-N	-1	0	293.327	0.668	20	30		CCEDRM
CC(C)Cn1nnnc1N1CCC(C#N)(C(=O)[O-])CC1	ZINC001591539206	992719840	/nfs/dbraw/zinc/71/98/40/992719840.db2.gz	VSMYLUCLZIRKMJ-UHFFFAOYSA-N	-1	0	278.316	0.524	20	30		CCEDRM
CNc1ccc(C(=O)N(CC#N)CC(=O)[O-])cc1F	ZINC001598677821	994876755	/nfs/dbraw/zinc/87/67/55/994876755.db2.gz	GPRSRNQPXSMLIR-UHFFFAOYSA-N	-1	0	265.244	0.918	20	30		CCEDRM
C[C@H](OC(=O)CC1(C#N)CC1)c1cn(CC(=O)[O-])nn1	ZINC001593514902	995535772	/nfs/dbraw/zinc/53/57/72/995535772.db2.gz	LGRBJONOAOITSU-QMMMGPOBSA-N	-1	0	278.268	0.661	20	30		CCEDRM
COC(=O)[C@@H]1C[C@@H](C(=O)[O-])CCN1CCCC#N	ZINC001598754790	995700628	/nfs/dbraw/zinc/70/06/28/995700628.db2.gz	YUQHZHPRYBIQBZ-UWVGGRQHSA-N	-1	0	254.286	0.628	20	30		CCEDRM
COC(=O)[C@@H]1CN(C(=O)NCC(C)(C)C#N)C[C@@H]1C(=O)[O-]	ZINC001598812224	996241236	/nfs/dbraw/zinc/24/12/36/996241236.db2.gz	ZPATUFMYAKSXFD-DTWKUNHWSA-N	-1	0	297.311	0.051	20	30		CCEDRM
COC(=O)[C@@H]1CN(c2cc(C#N)cc(C)n2)C[C@H]1C(=O)[O-]	ZINC001598828351	996408704	/nfs/dbraw/zinc/40/87/04/996408704.db2.gz	QYFFFFHHJNZCIE-GHMZBOCLSA-N	-1	0	289.291	0.572	20	30		CCEDRM
COC(=O)[C@@H]1CN(c2nccc(C)c2C#N)C[C@H]1C(=O)[O-]	ZINC001598829185	996417566	/nfs/dbraw/zinc/41/75/66/996417566.db2.gz	TVNCCTZYRBSFCS-GHMZBOCLSA-N	-1	0	289.291	0.572	20	30		CCEDRM
COC(=O)CCN(CC#N)Cc1cc(C(=O)[O-])n(C)c1	ZINC001598854517	996626578	/nfs/dbraw/zinc/62/65/78/996626578.db2.gz	AQGOKQAWHZQBFC-UHFFFAOYSA-N	-1	0	279.296	0.612	20	30		CCEDRM
COC(=O)CCN(CC#N)C(=O)C[C@@H](C)CC(=O)[O-]	ZINC001598855335	996633497	/nfs/dbraw/zinc/63/34/97/996633497.db2.gz	QWQGAAQWHKESPU-SECBINFHSA-N	-1	0	270.285	0.403	20	30		CCEDRM
COC(=O)CCN(CC#N)[C@H](C)c1nc(C(=O)[O-])co1	ZINC001598855500	996635073	/nfs/dbraw/zinc/63/50/73/996635073.db2.gz	UKGKFNYGKGWHRC-MRVPVSSYSA-N	-1	0	281.268	0.822	20	30		CCEDRM
COC[C@H](OC(=O)c1cccc(C#N)n1)C(=O)[O-]	ZINC001599185053	997011584	/nfs/dbraw/zinc/01/15/84/997011584.db2.gz	UGOLYXIDYQGAKT-VIFPVBQESA-N	-1	0	250.210	0.210	20	30		CCEDRM
COc1cc(C[N@H+](CCC(=O)[O-])CC(=O)[O-])ccc1C#N	ZINC001599406500	997315431	/nfs/dbraw/zinc/31/54/31/997315431.db2.gz	GYWIRYJQGORYNX-UHFFFAOYSA-N	-1	0	292.291	0.928	20	30		CCEDRM
COCC[C@@](C)(C#N)NC(=O)[C@H]1CC[C@@H](C(=O)[O-])O1	ZINC001599207843	997441988	/nfs/dbraw/zinc/44/19/88/997441988.db2.gz	TZPCXRJOHKIZTK-PTRXPTGYSA-N	-1	0	270.285	0.054	20	30		CCEDRM
COCC[C@](C)(C#N)NC(=O)[C@H]1CC[C@@H](C(=O)[O-])O1	ZINC001599207851	997442697	/nfs/dbraw/zinc/44/26/97/997442697.db2.gz	TZPCXRJOHKIZTK-VDDIYKPWSA-N	-1	0	270.285	0.054	20	30		CCEDRM
CON=CC(=O)N1C[C@@H]2CCCC[C@]2(C(=O)[O-])C1	ZINC001599319742	997561061	/nfs/dbraw/zinc/56/10/61/997561061.db2.gz	GJHHVQUNZVMHDT-CABZTGNLSA-N	-1	0	254.286	0.722	20	30		CCEDRM
COCC[C@@H](NC(=O)c1ccc(C=NOC)cc1)C(=O)[O-]	ZINC001599215882	997582000	/nfs/dbraw/zinc/58/20/00/997582000.db2.gz	CDLILXLDULEIGZ-GFCCVEGCSA-N	-1	0	294.307	0.886	20	30		CCEDRM
COc1c(C(=O)[O-])ncnc1N1CCO[C@](C)(C#N)C1	ZINC001599332157	997766517	/nfs/dbraw/zinc/76/65/17/997766517.db2.gz	SODUGNOVACLMCQ-GFCCVEGCSA-N	-1	0	278.268	0.302	20	30		CCEDRM
CO[C@H]1CN(C(=O)c2cc(C#N)c[nH]2)[C@](C)(C(=O)[O-])C1	ZINC001599128510	997896480	/nfs/dbraw/zinc/89/64/80/997896480.db2.gz	ABUOPWUJOXGRJF-RNCFNFMXSA-N	-1	0	277.280	0.591	20	30		CCEDRM
COc1cc(C#N)ccc1C(=O)N[C@@]1(C(=O)[O-])C[C@@H](O)C1	ZINC001599349364	998066107	/nfs/dbraw/zinc/06/61/07/998066107.db2.gz	QHXZXQWGOZERRA-DEZZCRIOSA-N	-1	0	290.275	0.275	20	30		CCEDRM
COCC#CC(=O)N[C@@](C)(CC(=O)[O-])c1ccccn1	ZINC001599139352	998100192	/nfs/dbraw/zinc/10/01/92/998100192.db2.gz	VKYXKNSEYHURFO-AWEZNQCLSA-N	-1	0	276.292	0.538	20	30		CCEDRM
COc1cc(C(=O)NC[C@H](O)CC(=O)[O-])ccc1C#N	ZINC001599354212	998150608	/nfs/dbraw/zinc/15/06/08/998150608.db2.gz	KYTSGAWTVVGDEN-SNVBAGLBSA-N	-1	0	278.264	0.132	20	30		CCEDRM
COC[C@](C)(NCC(=O)N[C@@](C)(C#N)C(C)C)C(=O)[O-]	ZINC001599154340	998344412	/nfs/dbraw/zinc/34/44/12/998344412.db2.gz	KWIZFQRXENKZCT-STQMWFEESA-N	-1	0	285.344	0.120	20	30		CCEDRM
CO[C@H](CS(=O)(=O)N(CC#N)CCC(=O)[O-])C1CC1	ZINC001599057190	999238288	/nfs/dbraw/zinc/23/82/88/999238288.db2.gz	GSPMHCMORYQKBF-SNVBAGLBSA-N	-1	0	290.341	0.041	20	30		CCEDRM
COCCN(Cc1n[nH]c(=O)[n-]1)Cc1ccc(C#N)cc1	ZINC000091551022	349467667	/nfs/dbraw/zinc/46/76/67/349467667.db2.gz	OTPNVNSZQHCGFN-UHFFFAOYSA-N	-1	0	287.323	0.618	20	30		CCEDRM
CSc1[n-]c(=O)c(C(=O)NC[C@H](O)C2CC2)cc1C#N	ZINC000337644747	214194514	/nfs/dbraw/zinc/19/45/14/214194514.db2.gz	IKGTZZJACLOFQA-JTQLQIEISA-N	-1	0	293.348	0.881	20	30		CCEDRM
CCN(C(=O)c1ccc([N-]S(C)(=O)=O)nc1)[C@H](C)C#N	ZINC000600109884	361868657	/nfs/dbraw/zinc/86/86/57/361868657.db2.gz	QXMBSHIERFXBDB-SECBINFHSA-N	-1	0	296.352	0.827	20	30		CCEDRM
CCO[C@H](C(=O)Nc1nc(C#N)c(C#N)[n-]1)C1CC1	ZINC000600817222	362068985	/nfs/dbraw/zinc/06/89/85/362068985.db2.gz	WWXMSKWGSYHKFE-JTQLQIEISA-N	-1	0	259.269	0.907	20	30		CCEDRM
COc1ccc(Cn2[n-]nnc2=NCCCC#N)cc1	ZINC000601142375	362157242	/nfs/dbraw/zinc/15/72/42/362157242.db2.gz	ZMQFOGHRLZJDOY-UHFFFAOYSA-N	-1	0	272.312	0.868	20	30		CCEDRM
CCn1ncc(C(=O)N=c2[nH][n-]c(C)c2C#N)c1C	ZINC000601680986	362352628	/nfs/dbraw/zinc/35/26/28/362352628.db2.gz	WCDPGUZIOADVPO-UHFFFAOYSA-N	-1	0	258.285	0.789	20	30		CCEDRM
C[C@@H]1C[C@@H](C)CN(C(=O)Cn2cc(C#N)c(=O)[n-]c2=O)C1	ZINC000602026246	362463170	/nfs/dbraw/zinc/46/31/70/362463170.db2.gz	KNVPSASLELLLDS-NXEZZACHSA-N	-1	0	290.323	0.325	20	30		CCEDRM
C[C@@H]1CC[C@H](C)N(C(=O)Cn2cc(C#N)c(=O)[n-]c2=O)C1	ZINC000602109568	362494089	/nfs/dbraw/zinc/49/40/89/362494089.db2.gz	SGJJTDBJOQFKPU-ZJUUUORDSA-N	-1	0	290.323	0.468	20	30		CCEDRM
C[C@H]1CN(C(=O)CCn2cc(C#N)c(=O)[n-]c2=O)[C@H]1C	ZINC000602154245	362529750	/nfs/dbraw/zinc/52/97/50/362529750.db2.gz	BBODHJMAIDOQHH-IUCAKERBSA-N	-1	0	276.296	0.077	20	30		CCEDRM
N#Cc1nc(NC(=O)CCOC[C@H]2CCCO2)[n-]c1C#N	ZINC000076359612	136784520	/nfs/dbraw/zinc/78/45/20/136784520.db2.gz	PTOKWDDVPJIUMY-SECBINFHSA-N	-1	0	289.295	0.677	20	30		CCEDRM
CC(C)[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)[O-]	ZINC000021793487	348080023	/nfs/dbraw/zinc/08/00/23/348080023.db2.gz	NVEDXASLJUTGFD-NSHDSACASA-N	-1	0	282.321	0.946	20	30		CCEDRM
CCN(CC(=O)[O-])S(=O)(=O)Cc1cccc(C#N)c1	ZINC000038017069	348224247	/nfs/dbraw/zinc/22/42/47/348224247.db2.gz	VKTZTKXWFLPURC-UHFFFAOYSA-N	-1	0	282.321	0.795	20	30		CCEDRM
CC[C@@]1(O)CCCN(C(=O)N=c2[n-]n(C)cc2C#N)C1	ZINC000602885014	362863492	/nfs/dbraw/zinc/86/34/92/362863492.db2.gz	YBRVTGZAHZSWOK-CYBMUJFWSA-N	-1	0	277.328	0.482	20	30		CCEDRM
CC[C@@H]1C[C@@H](NC(=O)N=c2[n-]n(C)cc2C#N)CCO1	ZINC000602885603	362864656	/nfs/dbraw/zinc/86/46/56/362864656.db2.gz	GOVLPSBOXFXSHC-WDEREUQCSA-N	-1	0	277.328	0.793	20	30		CCEDRM
C=CCC1(NC(=O)N=c2[n-]n(C)cc2C#N)CCOCC1	ZINC000602886695	362866332	/nfs/dbraw/zinc/86/63/32/362866332.db2.gz	MNLLKXFAUKRDHY-UHFFFAOYSA-N	-1	0	289.339	0.960	20	30		CCEDRM
Cc1nccc(C(=O)Nc2nc(C#N)c(C#N)[n-]2)n1	ZINC000048623337	348419769	/nfs/dbraw/zinc/41/97/69/348419769.db2.gz	RYABNQVRBRVXDA-UHFFFAOYSA-N	-1	0	253.225	0.504	20	30		CCEDRM
C[C@H](NC(=O)c1n[nH]c(=O)[n-]1)c1ccc(C#N)cc1	ZINC000048733808	348423908	/nfs/dbraw/zinc/42/39/08/348423908.db2.gz	KGJUONNEDBWXEY-ZETCQYMHSA-N	-1	0	257.253	0.461	20	30		CCEDRM
CCN(CCC#N)C(=O)/N=c1\[n-]nc2ccccn21	ZINC000078572373	349143664	/nfs/dbraw/zinc/14/36/64/349143664.db2.gz	ODCZQGFIVCTAEB-UHFFFAOYSA-N	-1	0	258.285	0.919	20	30		CCEDRM
C=CCC1(NC(=O)Cc2n[n-]c(=NC)s2)CCOCC1	ZINC000618249195	365958728	/nfs/dbraw/zinc/95/87/28/365958728.db2.gz	KMUDBOCOYQKENS-UHFFFAOYSA-N	-1	0	296.396	0.786	20	30		CCEDRM
N#CCc1ccc(C(=O)NCCCc2n[nH]c(=O)[n-]2)cc1	ZINC000089505723	349391929	/nfs/dbraw/zinc/39/19/29/349391929.db2.gz	JUYGBUYVCFNZCZ-UHFFFAOYSA-N	-1	0	285.307	0.527	20	30		CCEDRM
Cc1nc(C(=O)NCCCc2nc(=O)[n-][nH]2)ccc1C#N	ZINC000176761725	351184015	/nfs/dbraw/zinc/18/40/15/351184015.db2.gz	DYJNOMCAMFHADN-UHFFFAOYSA-N	-1	0	286.295	0.036	20	30		CCEDRM
C[C@@H]1CCCN(S(=O)(=O)[N-]c2nn(C)cc2C#N)C1	ZINC000123331269	187085495	/nfs/dbraw/zinc/08/54/95/187085495.db2.gz	YVWBNPPRAQZQMB-SECBINFHSA-N	-1	0	283.357	0.680	20	30		CCEDRM
CCN(CC(=O)[O-])S(=O)(=O)c1ccc(C#N)cc1C	ZINC000230107957	352103193	/nfs/dbraw/zinc/10/31/93/352103193.db2.gz	ZOWSJEIOHRMWAA-UHFFFAOYSA-N	-1	0	282.321	0.962	20	30		CCEDRM
CCN(C)C(=O)[C@H](C)NS(=O)(=O)c1cccnc1C#N	ZINC000233440652	352150113	/nfs/dbraw/zinc/15/01/13/352150113.db2.gz	HJTPYSYWGDJFCB-VIFPVBQESA-N	-1	0	296.352	0.098	20	30		CCEDRM
Cn1cc(C#N)c(=NC(=O)c2ccc3c(c2)N(C)CC3)[n-]1	ZINC000542495949	290950540	/nfs/dbraw/zinc/95/05/40/290950540.db2.gz	BXDCSVXZBNNASZ-UHFFFAOYSA-N	-1	0	281.319	0.958	20	30		CCEDRM
N#Cc1nc(NC(=O)C2SCCS2)[n-]c1C#N	ZINC000271013400	353013999	/nfs/dbraw/zinc/01/39/99/353013999.db2.gz	MRHKZYGTPMZTDR-UHFFFAOYSA-N	-1	0	265.323	0.898	20	30		CCEDRM
C=CCCS(=O)(=O)NCc1cc(C(=O)[O-])co1	ZINC000277197481	353229608	/nfs/dbraw/zinc/22/96/08/353229608.db2.gz	XJHBMMHUPRBIFC-UHFFFAOYSA-N	-1	0	259.283	0.973	20	30		CCEDRM
CC#CCNC(=O)[C@@H]([N-]C(=O)C(F)(F)F)C(C)C	ZINC000279829343	353318198	/nfs/dbraw/zinc/31/81/98/353318198.db2.gz	VNTIHHRPAMZRJM-QMMMGPOBSA-N	-1	0	264.247	0.829	20	30		CCEDRM
C[C@@H](CCCCO)NS(=O)(=O)c1ccc(C#N)o1	ZINC000295179527	199390142	/nfs/dbraw/zinc/39/01/42/199390142.db2.gz	AGARUJZGPMWXDK-VIFPVBQESA-N	-1	0	272.326	0.981	20	30		CCEDRM
COC(=O)CCS(=O)(=O)[N-]c1cc(C#N)ccc1OC	ZINC000290477268	353728625	/nfs/dbraw/zinc/72/86/25/353728625.db2.gz	FTULZOHFVSJAQN-UHFFFAOYSA-N	-1	0	298.320	0.872	20	30		CCEDRM
CC(C)(C)n1cc(C#N)c([N-]S(=O)(=O)N2CCC2)n1	ZINC000556800143	291007920	/nfs/dbraw/zinc/00/79/20/291007920.db2.gz	JMNQLUHUVUDOMX-UHFFFAOYSA-N	-1	0	283.357	0.872	20	30		CCEDRM
COc1ccc(C#N)cc1NC(=O)C(=O)[N-]OCC1CC1	ZINC000293366934	353806927	/nfs/dbraw/zinc/80/69/27/353806927.db2.gz	LWRDDWMJAJNQPO-UHFFFAOYSA-N	-1	0	289.291	0.963	20	30		CCEDRM
N#Cc1ccc2c(c1)CC[C@H]2NC(=O)c1n[nH]c(=O)[n-]c1=O	ZINC000618892484	366113801	/nfs/dbraw/zinc/11/38/01/366113801.db2.gz	MKBKENQNSNTMSS-SNVBAGLBSA-N	-1	0	297.274	0.572	20	30		CCEDRM
COC[C@@H](NC(=O)N=c1[n-]n(C)cc1C#N)[C@@H]1CCCO1	ZINC000618994220	366140427	/nfs/dbraw/zinc/14/04/27/366140427.db2.gz	MPUXCTCAUFBASH-MNOVXSKESA-N	-1	0	293.327	0.029	20	30		CCEDRM
COCC1(C)CN(C(=O)N=c2[n-]n(C)cc2C#N)C1	ZINC000618994176	366140471	/nfs/dbraw/zinc/14/04/71/366140471.db2.gz	BWNZINFNMRJJMJ-UHFFFAOYSA-N	-1	0	263.301	0.214	20	30		CCEDRM
CCn1nccc1S(=O)(=O)[N-]c1cc(C#N)ccn1	ZINC000352884176	356102191	/nfs/dbraw/zinc/10/21/91/356102191.db2.gz	QXARCKBOCRCXIT-UHFFFAOYSA-N	-1	0	277.309	0.970	20	30		CCEDRM
C[C@H](CNS(=O)(=O)c1cccc(CC#N)c1)C(=O)[O-]	ZINC000619470106	366264725	/nfs/dbraw/zinc/26/47/25/366264725.db2.gz	JXEWMNHUBMVVBF-SECBINFHSA-N	-1	0	282.321	0.752	20	30		CCEDRM
Cn1cc(C#N)c(=NC(=O)N[C@@H](CO)CC2CCC2)[n-]1	ZINC000619536983	366277735	/nfs/dbraw/zinc/27/77/35/366277735.db2.gz	OXLNPVQFOLQLCL-LLVKDONJSA-N	-1	0	277.328	0.386	20	30		CCEDRM
C=CCCOCCNC(=O)N=c1ccc(C(=O)OC)n[n-]1	ZINC000619633176	366305942	/nfs/dbraw/zinc/30/59/42/366305942.db2.gz	FOMWYWWYRJHQNE-UHFFFAOYSA-N	-1	0	294.311	0.399	20	30		CCEDRM
COC(=O)c1ccc(=NC(=O)c2cccc(C#N)c2)[n-]n1	ZINC000619604906	366296296	/nfs/dbraw/zinc/29/62/96/366296296.db2.gz	ANRFMTGQPGABSR-UHFFFAOYSA-N	-1	0	282.259	0.809	20	30		CCEDRM
C=C[C@@](C)(CCOC)C(=O)N=c1ccc(C(=O)OC)n[n-]1	ZINC000619604329	366296449	/nfs/dbraw/zinc/29/64/49/366296449.db2.gz	IRLZMACBMFZTOJ-AWEZNQCLSA-N	-1	0	293.323	0.852	20	30		CCEDRM
C=CCN(CC=C)C(=O)N=c1ccc(C(=O)OC)n[n-]1	ZINC000619634146	366307302	/nfs/dbraw/zinc/30/73/02/366307302.db2.gz	JEMNBVOVTRXBFQ-UHFFFAOYSA-N	-1	0	276.296	0.891	20	30		CCEDRM
N#Cc1nccn1CC1=Nc2ccccc2S(=O)(=O)[N-]1	ZINC000356180898	356716954	/nfs/dbraw/zinc/71/69/54/356716954.db2.gz	MFADVQBQEMKXME-UHFFFAOYSA-N	-1	0	287.304	0.777	20	30		CCEDRM
CCC[C@@H](NC(=O)c1cnn(C)c1C#N)c1nnn[n-]1	ZINC000356376801	356755988	/nfs/dbraw/zinc/75/59/88/356755988.db2.gz	LAOZIZRABPSHNR-MRVPVSSYSA-N	-1	0	274.288	0.076	20	30		CCEDRM
CCC[C@H](NC(=O)c1cnn(C)c1C#N)c1nnn[n-]1	ZINC000356376802	356756574	/nfs/dbraw/zinc/75/65/74/356756574.db2.gz	LAOZIZRABPSHNR-QMMMGPOBSA-N	-1	0	274.288	0.076	20	30		CCEDRM
CCOCCN(CC)C(=O)N=c1[n-]n(C)cc1C#N	ZINC000610563932	363577727	/nfs/dbraw/zinc/57/77/27/363577727.db2.gz	NCGQFTANLKUGMU-UHFFFAOYSA-N	-1	0	265.317	0.604	20	30		CCEDRM
Cn1cc(C#N)c(=NC(=O)NC2CCSCC2)[n-]1	ZINC000610565003	363579820	/nfs/dbraw/zinc/57/98/20/363579820.db2.gz	VHFIZEAETVBSQX-UHFFFAOYSA-N	-1	0	265.342	0.731	20	30		CCEDRM
CN(C[C@H]1CCOC1)C(=O)N=c1[n-]n(C)cc1C#N	ZINC000610564941	363579822	/nfs/dbraw/zinc/57/98/22/363579822.db2.gz	UIWVYJNIFJXVKE-SECBINFHSA-N	-1	0	263.301	0.214	20	30		CCEDRM
Cn1cc(C#N)c(=NC(=O)NCCn2cccc2)[n-]1	ZINC000610634317	363589280	/nfs/dbraw/zinc/58/92/80/363589280.db2.gz	BUFOWOXDORDHPM-UHFFFAOYSA-N	-1	0	258.285	0.337	20	30		CCEDRM
N#Cc1cc(N2CCC(c3n[nH]c(=O)[n-]3)CC2)ncn1	ZINC000561323405	291126962	/nfs/dbraw/zinc/12/69/62/291126962.db2.gz	SQYCAXJQIJJSKS-UHFFFAOYSA-N	-1	0	271.284	0.556	20	30		CCEDRM
CC(C)(C)OC(=O)NCCn1cc(C#N)c(=O)[n-]c1=O	ZINC000409441366	358113782	/nfs/dbraw/zinc/11/37/82/358113782.db2.gz	PBFCXNUNWWLQNI-UHFFFAOYSA-N	-1	0	280.284	0.345	20	30		CCEDRM
Cn1cc(C#N)c(=NC(=O)N2C[C@H]3CCC[C@@H]3C2)[n-]1	ZINC000610698535	363600091	/nfs/dbraw/zinc/60/00/91/363600091.db2.gz	REPUDNIVGIGLHC-NXEZZACHSA-N	-1	0	259.313	0.977	20	30		CCEDRM
COC(=O)[C@@]1(C)CCN(C(=O)N=c2[n-]n(C)cc2C#N)C1	ZINC000610744195	363607010	/nfs/dbraw/zinc/60/70/10/363607010.db2.gz	NTCMQJGGCOOEJQ-ZDUSSCGKSA-N	-1	0	291.311	0.131	20	30		CCEDRM
C[C@@H](CC#N)N(C)S(=O)(=O)NCCCCCC(=O)[O-]	ZINC000563227815	358557063	/nfs/dbraw/zinc/55/70/63/358557063.db2.gz	XZHJBNKDXQVVID-JTQLQIEISA-N	-1	0	291.373	0.700	20	30		CCEDRM
C[C@H](CC#N)N(C)S(=O)(=O)NCCCCCC(=O)[O-]	ZINC000563227816	358557068	/nfs/dbraw/zinc/55/70/68/358557068.db2.gz	XZHJBNKDXQVVID-SNVBAGLBSA-N	-1	0	291.373	0.700	20	30		CCEDRM
C[C@@H](NC(=O)N=c1[n-]n(C)cc1C#N)C1CCOCC1	ZINC000610773247	363612643	/nfs/dbraw/zinc/61/26/43/363612643.db2.gz	UJPUUKRYQCZGEL-SECBINFHSA-N	-1	0	277.328	0.650	20	30		CCEDRM
C=CCn1cc(CNC(=O)N=c2cc(C)c(C)n[n-]2)nn1	ZINC000570957220	358898574	/nfs/dbraw/zinc/89/85/74/358898574.db2.gz	MISNTWTVEJORIQ-UHFFFAOYSA-N	-1	0	287.327	0.615	20	30		CCEDRM
CCOC[C@@H](NS(=O)(=O)CCCCC#N)C(=O)[O-]	ZINC000571937848	358926471	/nfs/dbraw/zinc/92/64/71/358926471.db2.gz	YROONXKNSJJMSW-SECBINFHSA-N	-1	0	278.330	0.089	20	30		CCEDRM
N#Cc1ccc(S(=O)(=O)N[C@H]2C[C@H](C(=O)[O-])C2)cc1	ZINC000584717638	359194188	/nfs/dbraw/zinc/19/41/88/359194188.db2.gz	ZJFLQJWPVKZSME-MGCOHNPYSA-N	-1	0	280.305	0.700	20	30		CCEDRM
N#Cc1ccc(S(=O)(=O)[N-]c2n[nH]cc2C(N)=O)s1	ZINC000586660657	359282548	/nfs/dbraw/zinc/28/25/48/359282548.db2.gz	IVVBJQNDTPLKEO-UHFFFAOYSA-N	-1	0	297.321	0.243	20	30		CCEDRM
Cn1cc(C#N)c(=NC(=O)N2CC[C@@H]([C@@H]3CCOC3)C2)[n-]1	ZINC000611007139	363648622	/nfs/dbraw/zinc/64/86/22/363648622.db2.gz	MVGGKGAKIVIRAB-GHMZBOCLSA-N	-1	0	289.339	0.604	20	30		CCEDRM
Cc1[n-][nH]c(=NC(=O)c2cccnc2N(C)C)c1C#N	ZINC000588717976	359334128	/nfs/dbraw/zinc/33/41/28/359334128.db2.gz	NFZMFJPZZJLPJB-UHFFFAOYSA-N	-1	0	270.296	0.725	20	30		CCEDRM
C=CC[C@H](CO)CNC(=O)NC[C@H](C(=O)[O-])C(C)C	ZINC000655894889	412683516	/nfs/dbraw/zinc/68/35/16/412683516.db2.gz	OCSCDGAGFMNJQX-QWRGUYRKSA-N	-1	0	272.345	0.827	20	30		CCEDRM
N#CC1CN(C(=O)N=c2[n-]nc(C(F)F)s2)C1	ZINC000590110100	359424003	/nfs/dbraw/zinc/42/40/03/359424003.db2.gz	XVIUMTYTCQHOHC-UHFFFAOYSA-N	-1	0	259.241	0.885	20	30		CCEDRM
CO[C@H]1C[C@H](NC(=O)N=c2[n-]n(C)cc2C#N)C12CCC2	ZINC000590957443	359542713	/nfs/dbraw/zinc/54/27/13/359542713.db2.gz	JCPGZDMQAXJGPU-QWRGUYRKSA-N	-1	0	289.339	0.793	20	30		CCEDRM
COC(=O)[C@@H]1CCC[C@@H]1NC(=O)N=c1[n-]n(C)cc1C#N	ZINC000590819615	359527530	/nfs/dbraw/zinc/52/75/30/359527530.db2.gz	OLMSSYXJGARSPE-ZJUUUORDSA-N	-1	0	291.311	0.177	20	30		CCEDRM
COCCN(CC(=O)[O-])S(=O)(=O)CC1(C#N)CCC1	ZINC000591350164	359580665	/nfs/dbraw/zinc/58/06/65/359580665.db2.gz	BDNABIWJJDETGO-UHFFFAOYSA-N	-1	0	290.341	0.043	20	30		CCEDRM
COC[C@@]1(C(=O)[O-])CCN(S(=O)(=O)CCCC#N)C1	ZINC000591744497	359651279	/nfs/dbraw/zinc/65/12/79/359651279.db2.gz	DKUJBPIJBMZJEB-LLVKDONJSA-N	-1	0	290.341	0.043	20	30		CCEDRM
CC(C)(C#N)CNC(=O)C(=O)Nc1cccc(C(=O)[O-])c1	ZINC000592426250	359835978	/nfs/dbraw/zinc/83/59/78/359835978.db2.gz	OSKZQLZFLBIVJJ-UHFFFAOYSA-N	-1	0	289.291	0.989	20	30		CCEDRM
CCCN1C[C@@H](C(=O)N=c2[n-]n(C)c(C)c2C#N)CC1=O	ZINC000592649223	359909467	/nfs/dbraw/zinc/90/94/67/359909467.db2.gz	LGNLCBVTQARYIV-JTQLQIEISA-N	-1	0	289.339	0.219	20	30		CCEDRM
CC[C@H]1CC[C@H](C(=O)N=c2[n-]n(C)c(C)c2C#N)O1	ZINC000592655074	359910598	/nfs/dbraw/zinc/91/05/98/359910598.db2.gz	VLFLMJDVFCVOMO-GXSJLCMTSA-N	-1	0	262.313	0.918	20	30		CCEDRM
C[C@H](CNS(=O)(=O)c1ccsc1C#N)C(=O)[O-]	ZINC000593254872	360056332	/nfs/dbraw/zinc/05/63/32/360056332.db2.gz	TWFSNWRZKQINQH-ZCFIWIBFSA-N	-1	0	274.323	0.619	20	30		CCEDRM
C[C@H](CC#N)N(C)S(=O)(=O)NCC(C)(C)CC(=O)[O-]	ZINC000593256208	360056345	/nfs/dbraw/zinc/05/63/45/360056345.db2.gz	FRLXDRNYPKGLFI-SECBINFHSA-N	-1	0	291.373	0.556	20	30		CCEDRM
C[C@H](C#N)CN(C)S(=O)(=O)N1CC[C@H](C(=O)[O-])[C@@H]1C	ZINC000593271277	360058600	/nfs/dbraw/zinc/05/86/00/360058600.db2.gz	GFPHRPPTEQUNRY-UTLUCORTSA-N	-1	0	289.357	0.118	20	30		CCEDRM
C[C@@H](C#N)CN(C)S(=O)(=O)N1CCC[C@H]1CC(=O)[O-]	ZINC000593269901	360058821	/nfs/dbraw/zinc/05/88/21/360058821.db2.gz	SYHZXZJATPMTNX-UWVGGRQHSA-N	-1	0	289.357	0.262	20	30		CCEDRM
C[C@H](CNC(=O)N=c1ccn(CCC#N)[nH]1)C(=O)[O-]	ZINC000593955875	360221968	/nfs/dbraw/zinc/22/19/68/360221968.db2.gz	DTTONWZIHWISNI-MRVPVSSYSA-N	-1	0	265.273	0.061	20	30		CCEDRM
CO[C@H]1CCC[C@@H]1CNC(=O)N=c1[n-]n(C)cc1C#N	ZINC000611388937	363711473	/nfs/dbraw/zinc/71/14/73/363711473.db2.gz	XLGMKEKFAGTYKD-KOLCDFICSA-N	-1	0	277.328	0.650	20	30		CCEDRM
CC[C@H](CSC)NC(=O)N=c1[n-]n(C)cc1C#N	ZINC000611388940	363712225	/nfs/dbraw/zinc/71/22/25/363712225.db2.gz	ZNIFGQFEWRYACV-SECBINFHSA-N	-1	0	267.358	0.977	20	30		CCEDRM
N#Cc1cccc(S(=O)(=O)N[C@H](CCF)C(=O)[O-])c1	ZINC000594573978	360332714	/nfs/dbraw/zinc/33/27/14/360332714.db2.gz	RUQRPEMVSDHFKA-SNVBAGLBSA-N	-1	0	286.284	0.649	20	30		CCEDRM
C=CC[C@@H](CO)[N-]S(=O)(=O)c1ncccc1[N+](=O)[O-]	ZINC000594768092	360379460	/nfs/dbraw/zinc/37/94/60/360379460.db2.gz	JBTPDXCXFIIRJT-QMMMGPOBSA-N	-1	0	287.297	0.205	20	30		CCEDRM
N#Cc1ccc(CCNC(=O)[C@@H]2CC[C@H](C(=O)[O-])O2)cc1	ZINC000594662350	360357007	/nfs/dbraw/zinc/35/70/07/360357007.db2.gz	XJCJRCWIZMSIKU-QWHCGFSZSA-N	-1	0	288.303	0.849	20	30		CCEDRM
CCc1cnccc1CNC(=O)N=c1[n-]n(C)cc1C#N	ZINC000611519474	363732314	/nfs/dbraw/zinc/73/23/14/363732314.db2.gz	YAKQLTYJTDDQAK-UHFFFAOYSA-N	-1	0	284.323	0.993	20	30		CCEDRM
N#Cc1cnc(N[C@@H]2C[C@H](C(=O)[O-])C[C@H]2O)c([N+](=O)[O-])c1	ZINC000595977822	360753691	/nfs/dbraw/zinc/75/36/91/360753691.db2.gz	IQEVIGLRFUPUTP-QXFUBDJGSA-N	-1	0	292.251	0.497	20	30		CCEDRM
Cc1ccc(N[C@@H]2C[C@@H](C(=O)[O-])C[C@@H]2O)nc1C#N	ZINC000595979066	360754763	/nfs/dbraw/zinc/75/47/63/360754763.db2.gz	QDJJWWQGNNYLSQ-KKZNHRDASA-N	-1	0	261.281	0.320	20	30		CCEDRM
N#Cc1cccnc1N1C[C@@H]2COC[C@]2(C(=O)[O-])C1	ZINC000595967618	360741595	/nfs/dbraw/zinc/74/15/95/360741595.db2.gz	KEBHSSJBGPNXGY-ZWNOBZJWSA-N	-1	0	259.265	0.491	20	30		CCEDRM
N#CCN(C(=O)c1cc(S(N)(=O)=O)ccc1[O-])C1CC1	ZINC000596916708	360978267	/nfs/dbraw/zinc/97/82/67/360978267.db2.gz	QQEJBPXUGLIIQZ-UHFFFAOYSA-N	-1	0	295.320	0.168	20	30		CCEDRM
C[C@H](CC#N)C(=O)Nc1ccc(-n2nn[n-]c2=O)cc1	ZINC000597552735	361137050	/nfs/dbraw/zinc/13/70/50/361137050.db2.gz	KKNNJSIWOUDQCU-MRVPVSSYSA-N	-1	0	272.268	0.856	20	30		CCEDRM
CC1(C#N)CN(C(=O)c2ccc3oc(=O)nc-3[n-]2)C1	ZINC000597603709	361158258	/nfs/dbraw/zinc/15/82/58/361158258.db2.gz	HABYNGBNMPMXAK-UHFFFAOYSA-N	-1	0	258.237	0.914	20	30		CCEDRM
C=CCCSCCNC(=O)c1cnc([O-])n(C)c1=O	ZINC000597968319	361295969	/nfs/dbraw/zinc/29/59/69/361295969.db2.gz	SXVQTKXXWSVTRC-UHFFFAOYSA-N	-1	0	283.353	0.525	20	30		CCEDRM
C[C@@]1(C#N)CCN(C(=O)c2c[nH]c3nc(=O)[n-]c(=O)c-3c2)C1	ZINC000598412928	361407199	/nfs/dbraw/zinc/40/71/99/361407199.db2.gz	QAOKEXYPCWFWPF-AWEZNQCLSA-N	-1	0	299.290	0.812	20	30		CCEDRM
COc1c2cnn(C)c2ncc1C(=O)N=c1[nH][n-]cc1C#N	ZINC000598911644	361530293	/nfs/dbraw/zinc/53/02/93/361530293.db2.gz	KYLZKNOBPJFGMA-UHFFFAOYSA-N	-1	0	297.278	0.246	20	30		CCEDRM
CCO[C@@H]1COCC[C@H]1NC(=O)N=c1[n-]n(C)cc1C#N	ZINC000612752013	364008322	/nfs/dbraw/zinc/00/83/22/364008322.db2.gz	HRYHGACBLQMDJA-GHMZBOCLSA-N	-1	0	293.327	0.029	20	30		CCEDRM
C=CC[C@@H](CO)NC(=O)c1ccc2oc(=O)nc-2[n-]1	ZINC000613486854	364265858	/nfs/dbraw/zinc/26/58/58/364265858.db2.gz	TXSSZUUXSFEHFJ-ZETCQYMHSA-N	-1	0	263.253	0.595	20	30		CCEDRM
C=C[C@@](C)(O)C(=O)N1CCC[C@@H](c2n[nH]c(=O)[n-]2)C1	ZINC000614518674	364646278	/nfs/dbraw/zinc/64/62/78/364646278.db2.gz	KELMNCDYJLQCPE-PRHODGIISA-N	-1	0	266.301	0.153	20	30		CCEDRM
Cn1ncc(Cn2c(=O)[n-]cc(C#N)c2=O)c1C(F)(F)F	ZINC000564963700	291327292	/nfs/dbraw/zinc/32/72/92/291327292.db2.gz	OXGSEOYVLDVJDI-UHFFFAOYSA-N	-1	0	299.212	0.209	20	30		CCEDRM
N#C[C@]1(F)CCN(C(=O)N=c2[n-]nc3ccccn32)C1	ZINC000615530784	364993077	/nfs/dbraw/zinc/99/30/77/364993077.db2.gz	DHMBLTMJKXTFOB-GFCCVEGCSA-N	-1	0	274.259	0.621	20	30		CCEDRM
C=C[C@](C)(O)C(=O)N=c1nc([C@@H](C)OC)[n-]s1	ZINC000622019353	366985281	/nfs/dbraw/zinc/98/52/81/366985281.db2.gz	UWBFBRQEVGTFKX-LDWIPMOCSA-N	-1	0	257.315	0.543	20	30		CCEDRM
CO[C@H](CS(=O)(=O)[N-]c1cc(C)c(C#N)cn1)C1CC1	ZINC000567291203	291473433	/nfs/dbraw/zinc/47/34/33/291473433.db2.gz	UILCNSHJVLJBFH-GFCCVEGCSA-N	-1	0	295.364	0.850	20	30		CCEDRM
C=CC[C@H](NS(=O)(=O)c1cnc(C)n1C)C(=O)[O-]	ZINC000629294808	369622112	/nfs/dbraw/zinc/62/21/12/369622112.db2.gz	DHEGWABPPITKOH-QMMMGPOBSA-N	-1	0	273.314	0.036	20	30		CCEDRM
C=CCN(C)C(=O)C(=O)N1CC[C@H](C(=O)[O-])[C@H](C)C1	ZINC000629771530	369771845	/nfs/dbraw/zinc/77/18/45/369771845.db2.gz	HBAHKAMAPLXAIG-ZJUUUORDSA-N	-1	0	268.313	0.200	20	30		CCEDRM
C=C(C)C[C@@H](NC(=O)[C@@H]1CCCS1(=O)=O)C(=O)[O-]	ZINC000630321795	370046932	/nfs/dbraw/zinc/04/69/32/370046932.db2.gz	NFXRWZAUVUQTRE-BDAKNGLRSA-N	-1	0	275.326	0.099	20	30		CCEDRM
C=C(C)C[C@@H](NC(=O)CCOCCOC)C(=O)[O-]	ZINC000630325450	370047595	/nfs/dbraw/zinc/04/75/95/370047595.db2.gz	JTVJFDSANVACGI-SNVBAGLBSA-N	-1	0	259.302	0.575	20	30		CCEDRM
C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)c1cc(C(=O)[O-])nn1C	ZINC000630303158	370037298	/nfs/dbraw/zinc/03/72/98/370037298.db2.gz	QMMUTOWVMXYDGV-SKDRFNHKSA-N	-1	0	293.323	0.829	20	30		CCEDRM
C=C(C)C[C@H](NC(=O)[C@H]1CC(=O)N(C2CC2)C1)C(=O)[O-]	ZINC000630316336	370044007	/nfs/dbraw/zinc/04/40/07/370044007.db2.gz	BLUJGJLXNKNRDE-ONGXEEELSA-N	-1	0	280.324	0.533	20	30		CCEDRM
C=C(C)C[C@@H](NS(=O)(=O)CCCOC)C(=O)[O-]	ZINC000630438552	370117238	/nfs/dbraw/zinc/11/72/38/370117238.db2.gz	RHVJTWDQKADHAE-SECBINFHSA-N	-1	0	265.331	0.362	20	30		CCEDRM
C=CCN(C(=O)[C@H](C)O[C@H](C)C(=O)[O-])[C@H](C)COC	ZINC000634930112	372300214	/nfs/dbraw/zinc/30/02/14/372300214.db2.gz	YNFMZPHTFZVZQJ-OUAUKWLOSA-N	-1	0	273.329	0.914	20	30		CCEDRM
C=CCN(C(=O)NCCOCC(=O)[O-])[C@H](C)COC	ZINC000635522311	372584696	/nfs/dbraw/zinc/58/46/96/372584696.db2.gz	BAVKRIZYPPBWSN-SNVBAGLBSA-N	-1	0	274.317	0.320	20	30		CCEDRM
C=CCCOCC(=O)N1CCC[C@@H](c2n[n-]c(=N)o2)C1	ZINC000636201441	373447497	/nfs/dbraw/zinc/44/74/97/373447497.db2.gz	PQVLYNFRQZWUQA-SNVBAGLBSA-N	-1	0	280.328	0.781	20	30		CCEDRM
C=C[C@@H]1OCC[C@H]1NC(=O)C[C@]1(C(=O)[O-])CCOC1	ZINC000656484132	412811490	/nfs/dbraw/zinc/81/14/90/412811490.db2.gz	LHGFPYAPNBAYDC-GBIKHYSHSA-N	-1	0	269.297	0.328	20	30		CCEDRM
C=CCOC[C@@H](NC(=O)NCCc1ccoc1)C(=O)[O-]	ZINC000656594780	412833906	/nfs/dbraw/zinc/83/39/06/412833906.db2.gz	XDGXOTFXWWHWMK-LLVKDONJSA-N	-1	0	282.296	0.777	20	30		CCEDRM
Cc1[n-][nH]c(=NC(=O)[C@H]2CC(=O)N(CC(C)C)C2)c1C#N	ZINC000518423264	249249349	/nfs/dbraw/zinc/24/93/49/249249349.db2.gz	PWUKGDZCECVKFL-JTQLQIEISA-N	-1	0	289.339	0.455	20	30		CCEDRM
C[C@@H](C(=O)[O-])C1CN(S(=O)(=O)c2ccc(C#N)nc2)C1	ZINC000228699019	284949081	/nfs/dbraw/zinc/94/90/81/284949081.db2.gz	WKBYTOHTJGJCDP-MRVPVSSYSA-N	-1	0	295.320	0.294	20	30		CCEDRM
C=CCN(CC(=O)[O-])S(=O)(=O)CCCCF	ZINC000287383621	388851026	/nfs/dbraw/zinc/85/10/26/388851026.db2.gz	CLFLZAWBDUBSBC-UHFFFAOYSA-N	-1	0	253.295	0.639	20	30		CCEDRM
O=C([N-]S(=O)(=O)c1cccs1)[C@@H]1COCCO1	ZINC000048450029	388892234	/nfs/dbraw/zinc/89/22/34/388892234.db2.gz	MAUJQRMDNGNBSH-ZETCQYMHSA-N	-1	0	277.323	0.809	20	30		CCEDRM
C=CCN(CC(=O)[O-])C(=O)N1CCC(OC)CC1	ZINC000092466546	389028139	/nfs/dbraw/zinc/02/81/39/389028139.db2.gz	ZYFOBBSZZRJARX-UHFFFAOYSA-N	-1	0	256.302	0.790	20	30		CCEDRM
C#CC[N-]S(=O)(=O)[C@@H](CC(=O)OCC)C(F)(F)F	ZINC000295405796	389006414	/nfs/dbraw/zinc/00/64/14/389006414.db2.gz	WUGJPDKMTDMBRV-ZETCQYMHSA-N	-1	0	287.259	0.423	20	30		CCEDRM
CC(C)(CCNC(=O)N1CCO[C@H](C#N)C1)C(=O)[O-]	ZINC000306097374	389089875	/nfs/dbraw/zinc/08/98/75/389089875.db2.gz	NGMLRNQMDHMICL-SECBINFHSA-N	-1	0	269.301	0.421	20	30		CCEDRM
C=CCN(CCC#N)C(=O)c1c[nH]c2nc(=O)[n-]c(=O)c-2c1	ZINC000359440580	389173702	/nfs/dbraw/zinc/17/37/02/389173702.db2.gz	DZFFBJFTVBSREP-UHFFFAOYSA-N	-1	0	299.290	0.978	20	30		CCEDRM
COc1ccc([N-]S(=O)(=O)c2ccc(C#N)o2)nn1	ZINC000342566811	389222041	/nfs/dbraw/zinc/22/20/41/389222041.db2.gz	MDOZCJRIKWCOCD-UHFFFAOYSA-N	-1	0	280.265	0.751	20	30		CCEDRM
Cc1noc([C@H](C)NC(=O)N=c2[n-]ncs2)n1	ZINC000330436324	389229652	/nfs/dbraw/zinc/22/96/52/389229652.db2.gz	PFOZGXQMXDTZJP-BYPYZUCNSA-N	-1	0	254.275	0.739	20	30		CCEDRM
Cc1cccc2c1O[C@H](C(=O)N=c1[n-]n(C)cc1C#N)C2	ZINC000410543652	389385651	/nfs/dbraw/zinc/38/56/51/389385651.db2.gz	YAKXGHGBQMYLAE-LBPRGKRZSA-N	-1	0	282.303	0.964	20	30		CCEDRM
CC[C@H](CS(=O)(=O)[N-]c1c(C#N)cnn1CC)OC	ZINC000421251007	389356373	/nfs/dbraw/zinc/35/63/73/389356373.db2.gz	ORGPLWXAKIHLJA-SNVBAGLBSA-N	-1	0	286.357	0.941	20	30		CCEDRM
Cc1cc(C(=O)N[C@H](C)CC#N)[nH]c2nc(=O)[n-]c(=O)c1-2	ZINC000266794539	389366808	/nfs/dbraw/zinc/36/68/08/389366808.db2.gz	BYXMRIBKMHEDQZ-SSDOTTSWSA-N	-1	0	287.279	0.776	20	30		CCEDRM
C=C[C@H](CO)[N-]S(=O)(=O)c1c(F)cc(F)cc1F	ZINC000349811252	389439683	/nfs/dbraw/zinc/43/96/83/389439683.db2.gz	NFUCNTQXTWQIDZ-SSDOTTSWSA-N	-1	0	281.255	0.929	20	30		CCEDRM
N#Cc1ccccc1CS(=O)(=O)c1n[nH]c(=O)[n-]1	ZINC000350178667	389496130	/nfs/dbraw/zinc/49/61/30/389496130.db2.gz	ZSOVMPONQTZWKN-UHFFFAOYSA-N	-1	0	264.266	0.356	20	30		CCEDRM
CC#CCNC(=O)c1cccc(C(=O)NCC#CC)c1[O-]	ZINC000281194347	389609956	/nfs/dbraw/zinc/60/99/56/389609956.db2.gz	KNCZSMMVIGYCSO-UHFFFAOYSA-N	-1	0	284.315	0.898	20	30		CCEDRM
C=CCCn1cc(C(=O)N[C@](C)(COC)CC(=O)[O-])nn1	ZINC000425240582	389642869	/nfs/dbraw/zinc/64/28/69/389642869.db2.gz	MAHMJIWXYZGPHH-ZDUSSCGKSA-N	-1	0	296.327	0.464	20	30		CCEDRM
C=CCCn1cc(C(=O)N[C@](C)(COC)C(=O)[O-])nn1	ZINC000425246734	389642904	/nfs/dbraw/zinc/64/29/04/389642904.db2.gz	WRABMCJRYAANIK-GFCCVEGCSA-N	-1	0	282.300	0.074	20	30		CCEDRM
CCNC(=O)c1ccc(=N[C@@H]2CC[C@H](C#N)C2)[n-]n1	ZINC000425274821	389644038	/nfs/dbraw/zinc/64/40/38/389644038.db2.gz	ROIJHULETGYWMX-VHSXEESVSA-N	-1	0	259.313	0.752	20	30		CCEDRM
CCC[C@@H](NC(=O)c1c[nH]c(C#N)c1)c1nnn[n-]1	ZINC000352443046	389811943	/nfs/dbraw/zinc/81/19/43/389811943.db2.gz	CHUCNARNGARYDM-SECBINFHSA-N	-1	0	259.273	0.671	20	30		CCEDRM
Cc1[n-][nH]c(=NC(=O)[C@@H]2COc3ccccc3O2)c1C#N	ZINC000431679762	389864317	/nfs/dbraw/zinc/86/43/17/389864317.db2.gz	RTJGMEGYYPZBBI-LBPRGKRZSA-N	-1	0	284.275	0.790	20	30		CCEDRM
N#C[C@]1(NC(=O)c2ccc([N+](=O)[O-])cc2[O-])CCOC1	ZINC000436936424	389987577	/nfs/dbraw/zinc/98/75/77/389987577.db2.gz	FPXYMNVKVSZLBW-GFCCVEGCSA-N	-1	0	277.236	0.713	20	30		CCEDRM
N#CCC1(O)CN(C(=O)c2ccc([N+](=O)[O-])cc2[O-])C1	ZINC000436991940	389989505	/nfs/dbraw/zinc/98/95/05/389989505.db2.gz	VHFHHQSKXBGLBR-UHFFFAOYSA-N	-1	0	277.236	0.401	20	30		CCEDRM
N#Cc1cc(C(=O)N2CCC[C@@H](c3nnn[n-]3)C2)c[nH]1	ZINC000538709336	390197306	/nfs/dbraw/zinc/19/73/06/390197306.db2.gz	LJAOPNICONBRIM-MRVPVSSYSA-N	-1	0	271.284	0.419	20	30		CCEDRM
CC#CC[C@@H](NS(=O)(=O)N1CCC[C@@H]1C)C(=O)[O-]	ZINC000543785858	390293526	/nfs/dbraw/zinc/29/35/26/390293526.db2.gz	CVAXSTSHMHTPDM-VHSXEESVSA-N	-1	0	274.342	0.172	20	30		CCEDRM
C=C(C)[C@H]1OCC[C@H]1C(=O)N1CCO[C@H](CC(=O)[O-])C1	ZINC000582183378	390267194	/nfs/dbraw/zinc/26/71/94/390267194.db2.gz	LAPIRLXGNAEYLP-NQBHXWOUSA-N	-1	0	283.324	0.670	20	30		CCEDRM
C=CCC1(C(=O)N=c2cc(C(N)=O)[n-][nH]2)CCOCC1	ZINC000644679806	390284549	/nfs/dbraw/zinc/28/45/49/390284549.db2.gz	XAMKELPUCPLOFW-UHFFFAOYSA-N	-1	0	278.312	0.242	20	30		CCEDRM
Cc1c(C#N)c(=NC(=O)[C@H]2CCC(=O)[C@H](C)C2)[n-]n1C	ZINC000648434702	390372560	/nfs/dbraw/zinc/37/25/60/390372560.db2.gz	WVTICKJVESQZDE-SCZZXKLOSA-N	-1	0	274.324	0.966	20	30		CCEDRM
N#CCCCCS(=O)(=O)N1CC[C@H](CC(=O)[O-])C1	ZINC000563854096	390493937	/nfs/dbraw/zinc/49/39/37/390493937.db2.gz	YUQROCNINXBFDE-SNVBAGLBSA-N	-1	0	274.342	0.807	20	30		CCEDRM
C=CCn1cc(C(=O)NC(CC)(CC)C(=O)[O-])nn1	ZINC000649249063	390537401	/nfs/dbraw/zinc/53/74/01/390537401.db2.gz	NZPXARMLVNESIZ-UHFFFAOYSA-N	-1	0	266.301	0.837	20	30		CCEDRM
C=CCn1cc(C(=O)N[C@H](CC(F)(F)F)C(=O)[O-])nn1	ZINC000649249848	390537608	/nfs/dbraw/zinc/53/76/08/390537608.db2.gz	RPYMIFRLLJYWKZ-ZCFIWIBFSA-N	-1	0	292.217	0.600	20	30		CCEDRM
CC#CC[C@@H](CO)NC(=O)N=c1[n-]nc(C)s1	ZINC000646177757	390624483	/nfs/dbraw/zinc/62/44/83/390624483.db2.gz	JXLSRVNDFQRCJB-QMMMGPOBSA-N	-1	0	254.315	0.164	20	30		CCEDRM
C[C@@H](C#N)CN(C)S(=O)(=O)NCCC[C@H](C)C(=O)[O-]	ZINC000566313334	390596492	/nfs/dbraw/zinc/59/64/92/390596492.db2.gz	URDGAZQDFNQTCQ-UWVGGRQHSA-N	-1	0	291.373	0.413	20	30		CCEDRM
CC#CC[C@@H](CO)NC(=O)N=c1ccc(OC(C)C)n[n-]1	ZINC000646369341	390673723	/nfs/dbraw/zinc/67/37/23/390673723.db2.gz	NOVATHMFPFYBFE-NSHDSACASA-N	-1	0	292.339	0.582	20	30		CCEDRM
COc1ccc(=NC(=O)N[C@@H]2CCCOCC2)[n-]n1	ZINC000329076457	533252716	/nfs/dbraw/zinc/25/27/16/533252716.db2.gz	CFAKSASYSWAIKQ-SECBINFHSA-N	-1	0	266.301	0.802	20	30		CCEDRM
COc1ccc(=NC(=O)NC[C@]2(C)CCOC2)[n-]n1	ZINC000329110293	533253332	/nfs/dbraw/zinc/25/33/32/533253332.db2.gz	GHRLFSIKOKMIGV-LBPRGKRZSA-N	-1	0	266.301	0.660	20	30		CCEDRM
N#Cc1ccc(S(=O)(=O)N2CCC[C@H]2C(=O)[O-])s1	ZINC000230322602	130900375	/nfs/dbraw/zinc/90/03/75/130900375.db2.gz	OMFQKLSTDLTTLU-QMMMGPOBSA-N	-1	0	286.334	0.857	20	30		CCEDRM
Cc1cc[nH]c1C(=O)N1CC(n2cc(C#N)c(=O)[n-]c2=O)C1	ZINC000530272437	285587167	/nfs/dbraw/zinc/58/71/67/285587167.db2.gz	PPWRBERZEKGCDV-UHFFFAOYSA-N	-1	0	299.290	0.154	20	30		CCEDRM
Cc1[n-][nH]c(=NC(=O)c2cccc(C(=O)N(C)C)c2)c1C#N	ZINC000357164174	144066402	/nfs/dbraw/zinc/06/64/02/144066402.db2.gz	LWNDNPRICGRHDN-UHFFFAOYSA-N	-1	0	297.318	0.966	20	30		CCEDRM
N#Cc1sccc1S(=O)(=O)N1CC(C(=O)[O-])C1	ZINC000593268684	397584872	/nfs/dbraw/zinc/58/48/72/397584872.db2.gz	RVOYKILWBUELOT-UHFFFAOYSA-N	-1	0	272.307	0.325	20	30		CCEDRM
C=C(C)CS(=O)(=O)NC[C@@H](CC1CC1)C(=O)[O-]	ZINC000650430358	397718959	/nfs/dbraw/zinc/71/89/59/397718959.db2.gz	LVVIJBDHRYUALZ-SNVBAGLBSA-N	-1	0	261.343	0.983	20	30		CCEDRM
C=CCCS(=O)(=O)N1C[C@@H](C(=O)[O-])[C@H](C2CC2)C1	ZINC000650448873	397720568	/nfs/dbraw/zinc/72/05/68/397720568.db2.gz	OHNCUIHPRFBSFH-WDEREUQCSA-N	-1	0	273.354	0.935	20	30		CCEDRM
N#Cc1cccc(F)c1CC(=O)NC1(c2nnn[n-]2)CC1	ZINC000552187332	286158236	/nfs/dbraw/zinc/15/82/36/286158236.db2.gz	PXQIHTAFFXJBHV-UHFFFAOYSA-N	-1	0	286.270	0.558	20	30		CCEDRM
C=CCn1cc(C(=O)N[C@](C)(CCF)C(=O)[O-])nn1	ZINC000659214529	413341997	/nfs/dbraw/zinc/34/19/97/413341997.db2.gz	MUJIKFHJHLIOHO-LLVKDONJSA-N	-1	0	270.264	0.397	20	30		CCEDRM
C=CCOCCNC(=O)NC1(C(=O)[O-])CCSCC1	ZINC000654813990	412440869	/nfs/dbraw/zinc/44/08/69/412440869.db2.gz	NSQHCHKQYVSFQW-UHFFFAOYSA-N	-1	0	288.369	0.839	20	30		CCEDRM
C=CCCNC(=O)C(=O)N1C[C@H](C)C[C@H](C(=O)[O-])C1	ZINC000659662321	413760071	/nfs/dbraw/zinc/76/00/71/413760071.db2.gz	DCLNKDQDNLFPNN-ZJUUUORDSA-N	-1	0	268.313	0.248	20	30		CCEDRM
C[C@@H](CC(=O)[O-])NS(=O)(=O)c1ccccc1C#N	ZINC000037413186	173189888	/nfs/dbraw/zinc/18/98/88/173189888.db2.gz	VXFJKJWLORUKBP-QMMMGPOBSA-N	-1	0	268.294	0.700	20	30		CCEDRM
C=C(C)CS(=O)(=O)N1CC2(CCC2)[C@@H]1C(=O)[O-]	ZINC000663286894	415038551	/nfs/dbraw/zinc/03/85/51/415038551.db2.gz	FGHBIWOGEIBAIC-VIFPVBQESA-N	-1	0	259.327	0.831	20	30		CCEDRM
Cc1ccc(C#N)cc1S(=O)(=O)NC[C@@H](C)C(=O)[O-]	ZINC000070430399	175925254	/nfs/dbraw/zinc/92/52/54/175925254.db2.gz	JZEJAEDFJILZSR-SECBINFHSA-N	-1	0	282.321	0.866	20	30		CCEDRM
C[C@H](C(=O)[O-])N(C)S(=O)(=O)c1ccc(F)c(C#N)c1	ZINC000071238865	176093726	/nfs/dbraw/zinc/09/37/26/176093726.db2.gz	FAERPENBDVDDAE-SSDOTTSWSA-N	-1	0	286.284	0.791	20	30		CCEDRM
O=C(NC[C@@H](O)C1CC1)c1cccn2c([O-])nnc12	ZINC000329332699	227449178	/nfs/dbraw/zinc/44/91/78/227449178.db2.gz	JUEMKPBWZMFNOZ-SECBINFHSA-N	-1	0	262.269	0.510	20	30		CCEDRM
C=CCN(C1CC1)S(=O)(=O)N(C)CCC(=O)[O-]	ZINC000165217326	544721511	/nfs/dbraw/zinc/72/15/11/544721511.db2.gz	XKPGARAVJPFCFB-UHFFFAOYSA-N	-1	0	262.331	0.288	20	30		CCEDRM
C=CC[C@H](NS(=O)(=O)N1C[C@H](C)C[C@H](C)C1)C(=O)[O-]	ZINC000161299205	544705102	/nfs/dbraw/zinc/70/51/02/544705102.db2.gz	URTOEKLAECHBQM-AXFHLTTASA-N	-1	0	290.385	0.828	20	30		CCEDRM
COCCN(CC(=O)[O-])C(=O)c1ccc(CC#N)cc1	ZINC000262147710	262763600	/nfs/dbraw/zinc/76/36/00/262763600.db2.gz	OGIKHHHTSSOQOI-UHFFFAOYSA-N	-1	0	276.292	0.926	20	30		CCEDRM
C=CCN(CC(=O)[O-])C(=O)[C@H]1CC(=O)N(C2CCCC2)C1	ZINC000092462538	260270788	/nfs/dbraw/zinc/27/07/88/260270788.db2.gz	PYKXLLLOEIUOCY-NSHDSACASA-N	-1	0	294.351	0.877	20	30		CCEDRM
N#CCCCS(=O)(=O)NCc1nc(C(=O)[O-])cs1	ZINC000275036757	263031997	/nfs/dbraw/zinc/03/19/97/263031997.db2.gz	UUARVTRHNVHYOD-UHFFFAOYSA-N	-1	0	289.338	0.564	20	30		CCEDRM
N#CCC(=O)N1CCN(C(=O)c2ccc(F)cc2[O-])CC1	ZINC000294702108	263166220	/nfs/dbraw/zinc/16/62/20/263166220.db2.gz	VZAIDRPCKRLNGU-UHFFFAOYSA-N	-1	0	291.282	0.729	20	30		CCEDRM
CC[C@@H](C#N)NC(=O)c1c[nH]c2nc(=O)[n-]c(=O)c-2c1	ZINC000299585371	263248491	/nfs/dbraw/zinc/24/84/91/263248491.db2.gz	IYNSEHHSOPQCMW-ZETCQYMHSA-N	-1	0	273.252	0.468	20	30		CCEDRM
C=CCCC[C@@H](C)N=c1ccc(C(=O)NCCO)n[n-]1	ZINC000342787039	263485632	/nfs/dbraw/zinc/48/56/32/263485632.db2.gz	NNXQYBVFXKAQSD-LLVKDONJSA-N	-1	0	278.356	0.777	20	30		CCEDRM
C#CCNC(=O)c1c(-c2ccccc2)[n-]n(CC)c1=O	ZINC000128570696	264303259	/nfs/dbraw/zinc/30/32/59/264303259.db2.gz	JELRQIJUEBHVNI-GFCCVEGCSA-N	-1	0	269.304	0.618	20	30		CCEDRM
Cc1ccn2c(c1)n[n-]c2=NC(=O)c1cc(C#N)ccn1	ZINC000354836783	292742140	/nfs/dbraw/zinc/74/21/40/292742140.db2.gz	CFPNNRDFCRRQOI-UHFFFAOYSA-N	-1	0	278.275	0.979	20	30		CCEDRM
C=CCC[C@@H](NS(=O)(=O)N(C)CC)C(=O)[O-]	ZINC000390130239	545087352	/nfs/dbraw/zinc/08/73/52/545087352.db2.gz	JKJJAPGTVHNVBW-MRVPVSSYSA-N	-1	0	250.320	0.192	20	30		CCEDRM
C=CCNC(=O)CNC(=O)NC[C@H](CC(=O)[O-])CC(C)C	ZINC000393791765	545087726	/nfs/dbraw/zinc/08/77/26/545087726.db2.gz	YZQYIIOZGWHCCP-NSHDSACASA-N	-1	0	299.371	0.725	20	30		CCEDRM
C=CCNC(=O)CNC(=O)[C@@H](C(=O)[O-])C(C)(C)C	ZINC000393836621	545087778	/nfs/dbraw/zinc/08/77/78/545087778.db2.gz	LFMAVDTZMSSAQT-VIFPVBQESA-N	-1	0	256.302	0.152	20	30		CCEDRM
N#Cc1c(F)cccc1N1CCS(=O)(=O)[C@H](C(=O)[O-])C1	ZINC000424465092	303176731	/nfs/dbraw/zinc/17/67/31/303176731.db2.gz	FDFYOEBUCXUDOY-NSHDSACASA-N	-1	0	298.295	0.385	20	30		CCEDRM
N#Cc1cc(F)ccc1N1CCS(=O)(=O)[C@@H](C(=O)[O-])C1	ZINC000424468645	303183273	/nfs/dbraw/zinc/18/32/73/303183273.db2.gz	JYHCQRNKZHSZLE-LLVKDONJSA-N	-1	0	298.295	0.385	20	30		CCEDRM
N#Cc1ccc(S(=O)(=O)N2CSC[C@H]2C(=O)[O-])cc1	ZINC000019986497	303198492	/nfs/dbraw/zinc/19/84/92/303198492.db2.gz	MINSYCVHUYNBQM-JTQLQIEISA-N	-1	0	298.345	0.706	20	30		CCEDRM
N#Cc1ccccc1S(=O)(=O)N[C@@]1(C(=O)[O-])CCOC1	ZINC000085855870	303208352	/nfs/dbraw/zinc/20/83/52/303208352.db2.gz	LIRMNUWUNCOMMF-LBPRGKRZSA-N	-1	0	296.304	0.080	20	30		CCEDRM
N#Cc1nc(NC(=O)[C@@H]2CCc3c[nH]nc3C2)[n-]c1C#N	ZINC000438967986	303216347	/nfs/dbraw/zinc/21/63/47/303216347.db2.gz	POBOGEVNTPEFIE-SSDOTTSWSA-N	-1	0	281.279	0.620	20	30		CCEDRM
CC#CC[C@H](NC(=O)N(CCOC)CCOC)C(=O)[O-]	ZINC000283826551	328245178	/nfs/dbraw/zinc/24/51/78/328245178.db2.gz	GHOUOICCODLMGL-NSHDSACASA-N	-1	0	286.328	0.157	20	30		CCEDRM
CC[C@](C)(C#N)C(=O)N(C)C[C@H](C)c1nnn[n-]1	ZINC000285953141	328248308	/nfs/dbraw/zinc/24/83/08/328248308.db2.gz	COGILFMFSHSAFY-GZMMTYOYSA-N	-1	0	250.306	0.701	20	30		CCEDRM
C[C@@H](Sc1n[nH]c(=O)[n-]1)C(=O)N(C)CCC#N	ZINC000194629658	328533401	/nfs/dbraw/zinc/53/34/01/328533401.db2.gz	FVJAFDMTQXFCQY-ZCFIWIBFSA-N	-1	0	255.303	0.363	20	30		CCEDRM
C=CCOC[C@H](NC(=O)N[C@H](C)CSC)C(=O)[O-]	ZINC000557655370	327019702	/nfs/dbraw/zinc/01/97/02/327019702.db2.gz	NFXVGJQAJXJSSM-BDAKNGLRSA-N	-1	0	276.358	0.693	20	30		CCEDRM
N#C[C@H]1N(Cc2n[nH]c(=O)[n-]2)CCC[C@]12CCCCO2	ZINC000569433972	327176427	/nfs/dbraw/zinc/17/64/27/327176427.db2.gz	WNKFDTCEADDPMH-ZWNOBZJWSA-N	-1	0	277.328	0.938	20	30		CCEDRM
C=C(C)[C@@H]1OCC[C@@H]1CNc1ncc(C(=O)[O-])cn1	ZINC000582125171	327311061	/nfs/dbraw/zinc/31/10/61/327311061.db2.gz	IYXYRQGMBHIYRU-KOLCDFICSA-N	-1	0	263.297	0.990	20	30		CCEDRM
CC1(C)CCN(S(=O)(=O)CCCC#N)[C@@H]1C(=O)[O-]	ZINC000560889112	327350175	/nfs/dbraw/zinc/35/01/75/327350175.db2.gz	RYKDFFPNCAHYET-SECBINFHSA-N	-1	0	274.342	0.805	20	30		CCEDRM
C=CCOC[C@H](NC(=O)[C@@H](CC)OCC)C(=O)[O-]	ZINC000519585198	328691240	/nfs/dbraw/zinc/69/12/40/328691240.db2.gz	QBESMDVQVSEBLU-VHSXEESVSA-N	-1	0	259.302	0.574	20	30		CCEDRM
C=C(C)CS(=O)(=O)NC[C@@H](CC(=O)[O-])C(F)F	ZINC000583634392	328723558	/nfs/dbraw/zinc/72/35/58/328723558.db2.gz	TWYDJZKSKSUVMC-SSDOTTSWSA-N	-1	0	271.285	0.838	20	30		CCEDRM
C=C(C)CS(=O)(=O)NC[C@H](CC(=O)[O-])C(F)F	ZINC000583634393	328723698	/nfs/dbraw/zinc/72/36/98/328723698.db2.gz	TWYDJZKSKSUVMC-ZETCQYMHSA-N	-1	0	271.285	0.838	20	30		CCEDRM
C=CC[C@H](CC)NC(=O)N1CCOC[C@H]1C(=O)[O-]	ZINC000393761539	329089513	/nfs/dbraw/zinc/08/95/13/329089513.db2.gz	MYEDBOQMQJSHIK-UWVGGRQHSA-N	-1	0	256.302	0.836	20	30		CCEDRM
N#CCC1(CS(=O)(=O)N[C@@H](C(=O)[O-])C2CC2)CC1	ZINC000582670108	329122680	/nfs/dbraw/zinc/12/26/80/329122680.db2.gz	NFFUZWHDARLBSG-SECBINFHSA-N	-1	0	272.326	0.463	20	30		CCEDRM
Cc1[n-][nH]c(=NC(=O)c2cn3cccnc3n2)c1C#N	ZINC000582804897	329224661	/nfs/dbraw/zinc/22/46/61/329224661.db2.gz	NDVMOJCADYZTMA-UHFFFAOYSA-N	-1	0	267.252	0.307	20	30		CCEDRM
C=CCn1cc(CN=c2[n-]c(C(=O)OCC)co2)nn1	ZINC000425265165	329650967	/nfs/dbraw/zinc/65/09/67/329650967.db2.gz	TUFPMIGREJHPSG-UHFFFAOYSA-N	-1	0	277.284	0.663	20	30		CCEDRM
CCC[C@H](NS(=O)(=O)CCCCC#N)C(=O)[O-]	ZINC000262678069	330026354	/nfs/dbraw/zinc/02/63/54/330026354.db2.gz	RUDCIIALRKAFQU-VIFPVBQESA-N	-1	0	262.331	0.853	20	30		CCEDRM
C=CCOC[C@H](NC(=O)[C@@H]1Cc2ccccc2O1)C(=O)[O-]	ZINC000262866177	330035787	/nfs/dbraw/zinc/03/57/87/330035787.db2.gz	BBQARAKCKPPQBZ-AAEUAGOBSA-N	-1	0	291.303	0.762	20	30		CCEDRM
C=CCOC[C@H](NC(=O)c1ccc2c(c1)OCO2)C(=O)[O-]	ZINC000262879978	330036080	/nfs/dbraw/zinc/03/60/80/330036080.db2.gz	CBEDDQPJNZMTDM-JTQLQIEISA-N	-1	0	293.275	0.801	20	30		CCEDRM
C=CCOC[C@H](NC(=O)[C@H](C)CSC)C(=O)[O-]	ZINC000262903594	330036769	/nfs/dbraw/zinc/03/67/69/330036769.db2.gz	DWKGDICIONYCBA-BDAKNGLRSA-N	-1	0	261.343	0.758	20	30		CCEDRM
C#CCNC(=O)C1CCN(c2cccc(C(=O)[O-])n2)CC1	ZINC000262964679	330037791	/nfs/dbraw/zinc/03/77/91/330037791.db2.gz	AHTMZLRHHBFPGG-UHFFFAOYSA-N	-1	0	287.319	0.746	20	30		CCEDRM
C#CCN(C(=O)Cn1cc(C(=O)[O-])nn1)C1CCCC1	ZINC000263363096	330053072	/nfs/dbraw/zinc/05/30/72/330053072.db2.gz	VCEFSFLDIFTXFW-UHFFFAOYSA-N	-1	0	276.296	0.381	20	30		CCEDRM
C=CCN1CC[C@@H](N(C)c2cnc(C(=O)[O-])cn2)C1=O	ZINC000263443927	330056326	/nfs/dbraw/zinc/05/63/26/330056326.db2.gz	XYZZOEUELQJRKM-SNVBAGLBSA-N	-1	0	276.296	0.398	20	30		CCEDRM
CCN(C[C@@H](C)C#N)S(=O)(=O)N[C@@H](C(=O)[O-])C(C)C	ZINC000263552010	330059449	/nfs/dbraw/zinc/05/94/49/330059449.db2.gz	LOEFMWLCVQUCPH-VHSXEESVSA-N	-1	0	291.373	0.412	20	30		CCEDRM
C=CCCS(=O)(=O)N1CCSC[C@@H]1CC(=O)[O-]	ZINC000580428046	330130854	/nfs/dbraw/zinc/13/08/54/330130854.db2.gz	WKWDHSBREFNXCR-VIFPVBQESA-N	-1	0	279.383	0.784	20	30		CCEDRM
C=C(CC)CNC(=O)C(=O)N1C[C@H](C)C[C@@H](C(=O)[O-])C1	ZINC000422702558	330151115	/nfs/dbraw/zinc/15/11/15/330151115.db2.gz	KZZQHSMMAFRCOO-GHMZBOCLSA-N	-1	0	282.340	0.638	20	30		CCEDRM
C[C@@H]1CN(S(=O)(=O)CCCC#N)CC[C@H]1C(=O)[O-]	ZINC000527484130	330248962	/nfs/dbraw/zinc/24/89/62/330248962.db2.gz	HYSPHNMSJSLWOQ-NXEZZACHSA-N	-1	0	274.342	0.663	20	30		CCEDRM
C=CCCn1cc(C(=O)N2CCCC[C@H]2C(=O)[O-])nn1	ZINC000424223593	330330213	/nfs/dbraw/zinc/33/02/13/330330213.db2.gz	IDFZFMLBSAPPIY-NSHDSACASA-N	-1	0	278.312	0.934	20	30		CCEDRM
C=CCCn1cc(C(=O)NCCCC(=O)[O-])nn1	ZINC000424228463	330330675	/nfs/dbraw/zinc/33/06/75/330330675.db2.gz	SVRGPWKSNLNMCF-UHFFFAOYSA-N	-1	0	252.274	0.449	20	30		CCEDRM
CC(C)(CCNC(=O)C(=O)NCC1(CC#N)CC1)C(=O)[O-]	ZINC000424491249	330357189	/nfs/dbraw/zinc/35/71/89/330357189.db2.gz	XKGSXMAMDDWBKX-UHFFFAOYSA-N	-1	0	295.339	0.414	20	30		CCEDRM
C=CCC[C@@H](CO)NC(=O)N=c1[n-]nc(CC)s1	ZINC000454193874	331141313	/nfs/dbraw/zinc/14/13/13/331141313.db2.gz	FFJGKTPHLAIZIT-QMMMGPOBSA-N	-1	0	270.358	0.971	20	30		CCEDRM
C#CCN(CC#C)C(=O)[C@@H]([N-]C(=O)C(F)(F)F)C(C)C	ZINC000490971147	332134544	/nfs/dbraw/zinc/13/45/44/332134544.db2.gz	BAJGNNHLAMHZNF-JTQLQIEISA-N	-1	0	288.269	0.785	20	30		CCEDRM
C#CCN(C)C(=O)N=c1nc2nc(C)cc(C)n2[n-]1	ZINC000491099862	332149729	/nfs/dbraw/zinc/14/97/29/332149729.db2.gz	DJPRUTDDKNCEMC-UHFFFAOYSA-N	-1	0	258.285	0.260	20	30		CCEDRM
C#CCN(C)C(=O)N=c1ncn(Cc2ccccc2)[n-]1	ZINC000491107120	332150573	/nfs/dbraw/zinc/15/05/73/332150573.db2.gz	ZPJHMPCZSCWCLL-UHFFFAOYSA-N	-1	0	269.308	0.845	20	30		CCEDRM
C#C[C@@H]1COCCN1C(=O)c1ccc([N+](=O)[O-])c([O-])c1	ZINC000491296647	332184242	/nfs/dbraw/zinc/18/42/42/332184242.db2.gz	MRLVMAZAMOXIJA-SNVBAGLBSA-N	-1	0	276.248	0.775	20	30		CCEDRM
C#C[C@@H]1COCCN1C(=O)N=c1[n-]nc(CC)s1	ZINC000491425560	332209010	/nfs/dbraw/zinc/20/90/10/332209010.db2.gz	AOHVGASWCILKER-MRVPVSSYSA-N	-1	0	266.326	0.388	20	30		CCEDRM
C#C[C@H]1COCCN1C(=O)NC[C@@H](CC(C)C)C(=O)[O-]	ZINC000491526420	332230860	/nfs/dbraw/zinc/23/08/60/332230860.db2.gz	ZENMCMRCBULXHO-NEPJUHHUSA-N	-1	0	282.340	0.777	20	30		CCEDRM
C#CCNC(=O)c1ccc(N(C)CCCC(=O)[O-])nc1	ZINC000491537850	332232756	/nfs/dbraw/zinc/23/27/56/332232756.db2.gz	UJKCJHORFHNZGM-UHFFFAOYSA-N	-1	0	275.308	0.746	20	30		CCEDRM
C#C[C@H]1COCCN1C(=O)N=c1[n-]nc(CCC)s1	ZINC000491740930	332319912	/nfs/dbraw/zinc/31/99/12/332319912.db2.gz	YVXKMVUTQZNDEC-VIFPVBQESA-N	-1	0	280.353	0.778	20	30		CCEDRM
CC[C@H](CCC(=O)[O-])NS(=O)(=O)N(C)[C@H](C)CC#N	ZINC000566311908	334642502	/nfs/dbraw/zinc/64/25/02/334642502.db2.gz	LDYUBXUCYOJFAA-NXEZZACHSA-N	-1	0	291.373	0.698	20	30		CCEDRM
CN=c1[n-]nc(CC(=O)N(C[C@@H](C)C#N)C2CC2)s1	ZINC000546836742	334051468	/nfs/dbraw/zinc/05/14/68/334051468.db2.gz	PLXRPJXHXIKHBO-QMMMGPOBSA-N	-1	0	279.369	0.695	20	30		CCEDRM
C[C@@H]1SC[C@H](C(=O)[O-])N1S(=O)(=O)CCCC#N	ZINC000548218791	334146795	/nfs/dbraw/zinc/14/67/95/334146795.db2.gz	DKFIPMIGXKAGSK-JGVFFNPUSA-N	-1	0	278.355	0.468	20	30		CCEDRM
N#CC1(CS(=O)(=O)N[C@H](C(=O)[O-])C2CC2)CCCC1	ZINC000548555748	334162526	/nfs/dbraw/zinc/16/25/26/334162526.db2.gz	XNCMXJUSCGOYHG-JTQLQIEISA-N	-1	0	286.353	0.853	20	30		CCEDRM
C=CCC[C@H](NS(=O)(=O)CCCCOC)C(=O)[O-]	ZINC000565516216	334570155	/nfs/dbraw/zinc/57/01/55/334570155.db2.gz	OPBKBFKWSPNQKG-JTQLQIEISA-N	-1	0	279.358	0.752	20	30		CCEDRM
C=CCC[C@@H](NC(=O)c1cn(C)nc1C)C(=O)[O-]	ZINC000262978967	334582692	/nfs/dbraw/zinc/58/26/92/334582692.db2.gz	UESGTKCALCETGZ-SNVBAGLBSA-N	-1	0	251.286	0.878	20	30		CCEDRM
C=CCOC[C@@H](NC(=O)Nc1cc(C)on1)C(=O)[O-]	ZINC000567882893	334771657	/nfs/dbraw/zinc/77/16/57/334771657.db2.gz	FPEZHSPPKIKSKJ-MRVPVSSYSA-N	-1	0	269.257	0.182	20	30		CCEDRM
C[C@@H](C(=O)[O-])C1CN(S(=O)(=O)c2cccc(C#N)c2)C1	ZINC000165160140	334892688	/nfs/dbraw/zinc/89/26/88/334892688.db2.gz	OSPNEVULSXHBMN-SECBINFHSA-N	-1	0	294.332	0.899	20	30		CCEDRM
Cc1nc(CCn2c(=O)[n-]cc(C#N)c2=O)cs1	ZINC000577513003	335363144	/nfs/dbraw/zinc/36/31/44/335363144.db2.gz	SZFXMGUSKQBHRZ-UHFFFAOYSA-N	-1	0	262.294	0.416	20	30		CCEDRM
C[C@H](CC#N)N(C)S(=O)(=O)N1CC[C@@H](C)[C@@H]1C(=O)[O-]	ZINC000578991118	335696670	/nfs/dbraw/zinc/69/66/70/335696670.db2.gz	CQFKSRGJIKTDKV-OPRDCNLKSA-N	-1	0	289.357	0.260	20	30		CCEDRM
C=C(C)CS(=O)(=O)N[C@@H](C(=O)[O-])[C@@H](O)CCC	ZINC000578993237	335697195	/nfs/dbraw/zinc/69/71/95/335697195.db2.gz	UHIQSFUQKYKQNK-DTWKUNHWSA-N	-1	0	265.331	0.096	20	30		CCEDRM
C=C[C@H](CCC(=O)[O-])NS(=O)(=O)N(C)[C@H](C)C1CC1	ZINC000579081377	335707011	/nfs/dbraw/zinc/70/70/11/335707011.db2.gz	NMLNUCSVSODVTH-MWLCHTKSSA-N	-1	0	290.385	0.971	20	30		CCEDRM
C=C1CCN(S(=O)(=O)N2CCC[C@@H](C(=O)[O-])C2)CC1	ZINC000382527708	336092543	/nfs/dbraw/zinc/09/25/43/336092543.db2.gz	HYNFPAHPIVDVOX-LLVKDONJSA-N	-1	0	288.369	0.680	20	30		CCEDRM
C=CCC[C@H](NS(=O)(=O)c1c(C)onc1N)C(=O)[O-]	ZINC000581606077	336111011	/nfs/dbraw/zinc/11/10/11/336111011.db2.gz	PZZDZFHEUZQTTK-ZETCQYMHSA-N	-1	0	289.313	0.093	20	30		CCEDRM
Cc1ncc(S(=O)(=O)N[C@H](C)CCC(=O)[O-])cc1C#N	ZINC000383932148	336119547	/nfs/dbraw/zinc/11/95/47/336119547.db2.gz	VONFFIZVMRCWHO-MRVPVSSYSA-N	-1	0	297.336	0.793	20	30		CCEDRM
C=C(C)CN(CC)C(=O)[C@H]1COCCN1C(=O)[O-]	ZINC000738471715	582053924	/nfs/dbraw/zinc/05/39/24/582053924.db2.gz	XYUFWAATUQQLAR-SNVBAGLBSA-N	-1	0	256.302	0.790	20	30		CCEDRM
O=C(N=c1cn[n-]s1)N1CCN2CCOC[C@@H]2C1	ZINC000330251622	534330826	/nfs/dbraw/zinc/33/08/26/534330826.db2.gz	HUICNIHFFPUTAQ-QMMMGPOBSA-N	-1	0	269.330	0.100	20	30		CCEDRM
C=CCCO[C@H](C)C(=O)N[C@@]1(C(=O)[O-])CCOC1	ZINC000262197094	534783487	/nfs/dbraw/zinc/78/34/87/534783487.db2.gz	ZMGHJBQQGFRBIC-SKDRFNHKSA-N	-1	0	257.286	0.328	20	30		CCEDRM
C=CCOCCCC(=O)N1CCOC[C@H]1C(=O)[O-]	ZINC000262558149	534872247	/nfs/dbraw/zinc/87/22/47/534872247.db2.gz	YTWBVHPGBILGHE-JTQLQIEISA-N	-1	0	257.286	0.281	20	30		CCEDRM
Cc1oc(C(=O)[O-])cc1S(=O)(=O)NCCC#N	ZINC000055312821	526762881	/nfs/dbraw/zinc/76/28/81/526762881.db2.gz	NSCTXRLTBQRLNE-UHFFFAOYSA-N	-1	0	258.255	0.478	20	30		CCEDRM
C=CCOc1ccccc1C(=O)NCc1n[n-]c(=N)o1	ZINC000352112275	526926180	/nfs/dbraw/zinc/92/61/80/526926180.db2.gz	REDQWMCEVAWKSE-UHFFFAOYSA-N	-1	0	274.280	0.977	20	30		CCEDRM
C=C[C@@H](CO)NC(=O)N=c1[n-]nc(-c2c[nH]nc2C)s1	ZINC000350463333	527428647	/nfs/dbraw/zinc/42/86/47/527428647.db2.gz	UIVRKAUGHVIDGK-ZETCQYMHSA-N	-1	0	294.340	0.327	20	30		CCEDRM
C=CCOC[C@H](NC(=O)[C@@H]1CC[C@H](CC)O1)C(=O)[O-]	ZINC000668289641	545171346	/nfs/dbraw/zinc/17/13/46/545171346.db2.gz	BZNJIHZTOAPCKO-DCAQKATOSA-N	-1	0	271.313	0.716	20	30		CCEDRM
C=CCOC[C@H](NC(=O)[C@@H](OC)C1CCC1)C(=O)[O-]	ZINC000668290396	545171414	/nfs/dbraw/zinc/17/14/14/545171414.db2.gz	PWOJONKMFSZEJD-QWRGUYRKSA-N	-1	0	271.313	0.574	20	30		CCEDRM
CCC(=O)N1CSC[C@H]1C(=O)NCc1n[nH]c(=O)[n-]1	ZINC000330054028	528387139	/nfs/dbraw/zinc/38/71/39/528387139.db2.gz	RIIAHNXALPGQTC-LURJTMIESA-N	-1	0	285.329	0.278	20	30		CCEDRM
CCNC(=O)C1CN(C(=O)N=c2ccc(OC)n[n-]2)C1	ZINC000329073693	528821678	/nfs/dbraw/zinc/82/16/78/528821678.db2.gz	AYMDUBMBTBMFRF-UHFFFAOYSA-N	-1	0	279.300	0.347	20	30		CCEDRM
C=CCCOCC(=O)N1CCC[C@@H](c2nnn[n-]2)C1	ZINC000677928181	545377572	/nfs/dbraw/zinc/37/75/72/545377572.db2.gz	TVBSWGKKBFYNMR-SNVBAGLBSA-N	-1	0	265.317	0.498	20	30		CCEDRM
COc1ccc(CC(=O)N(CC#N)CC(=O)[O-])cc1F	ZINC000737981798	581127871	/nfs/dbraw/zinc/12/78/71/581127871.db2.gz	FQPANIJYWPOHET-UHFFFAOYSA-N	-1	0	280.255	0.814	20	30		CCEDRM
N#CCc1ccccc1CC(=O)NCCCc1n[nH]c(=O)[n-]1	ZINC000777524369	581118440	/nfs/dbraw/zinc/11/84/40/581118440.db2.gz	UMWARTYLHHCWMP-UHFFFAOYSA-N	-1	0	299.334	0.868	20	30		CCEDRM
CCN(C[C@H](C)C#N)C(=O)[C@@H]1COCCN1C(=O)[O-]	ZINC000739402929	581131092	/nfs/dbraw/zinc/13/10/92/581131092.db2.gz	IITLRUFMLBIUAW-ZJUUUORDSA-N	-1	0	269.301	0.373	20	30		CCEDRM
C=CCS(=O)(=O)[N-]C(=O)[C@H]1CC(=O)c2ccccc21	ZINC000789405237	581147718	/nfs/dbraw/zinc/14/77/18/581147718.db2.gz	JRNVGGFDHPGJIF-NSHDSACASA-N	-1	0	279.317	0.989	20	30		CCEDRM
C=CC[C@H](C(=O)[N-]S(=O)(=O)CC(N)=O)c1ccccc1	ZINC000778724698	581164867	/nfs/dbraw/zinc/16/48/67/581164867.db2.gz	NNLQFKZKPFCKDT-NSHDSACASA-N	-1	0	296.348	0.278	20	30		CCEDRM
N#C[C@H](C(=O)CCNC(=O)[O-])c1nnc2n1CCCCC2	ZINC000739076001	581171027	/nfs/dbraw/zinc/17/10/27/581171027.db2.gz	XHHMGJYWJYOSKX-SECBINFHSA-N	-1	0	291.311	0.838	20	30		CCEDRM
N#Cc1ccc(F)c(CS(=O)(=O)NC/C=C\C(=O)[O-])c1	ZINC000788444935	581187679	/nfs/dbraw/zinc/18/76/79/581187679.db2.gz	FZEJFPBKJNUFAU-UPHRSURJSA-N	-1	0	298.295	0.758	20	30		CCEDRM
COc1ccc(C=Nn2c(=O)c(C)n[n-]c2=S)cn1	ZINC000780196226	581222122	/nfs/dbraw/zinc/22/21/22/581222122.db2.gz	NHDBMPZGKORSTD-UHFFFAOYSA-N	-1	0	277.309	0.521	20	30		CCEDRM
CCn1nc(C)cc1C([O-])=C(C#N)C(=O)NCCOC	ZINC000726319916	581236820	/nfs/dbraw/zinc/23/68/20/581236820.db2.gz	PWAOEOTVIDBDAP-SNVBAGLBSA-N	-1	0	278.312	0.297	20	30		CCEDRM
CC[C@@H](NN=C(COC)C1CCOCC1)C(=O)[O-]	ZINC000793056566	581282801	/nfs/dbraw/zinc/28/28/01/581282801.db2.gz	VZZMIVUIZCVMNI-SNVBAGLBSA-N	-1	0	258.318	0.868	20	30		CCEDRM
CC[C@H](NN=C(C)c1ccc(S(N)(=O)=O)cc1)C(=O)[O-]	ZINC000793080462	581283511	/nfs/dbraw/zinc/28/35/11/581283511.db2.gz	ANIQWMKNSCBTBC-NSHDSACASA-N	-1	0	299.352	0.511	20	30		CCEDRM
CCCCCNC(=O)C(C#N)=C([O-])c1cnn(C)n1	ZINC000793125038	581285093	/nfs/dbraw/zinc/28/50/93/581285093.db2.gz	SAAGUJTVQWMBBW-VIFPVBQESA-N	-1	0	263.301	0.444	20	30		CCEDRM
CC(C)(C#N)CS(=O)(=O)[N-]C(=O)CC1OCCCO1	ZINC000793192997	581287591	/nfs/dbraw/zinc/28/75/91/581287591.db2.gz	XTXYHANXGYBTFM-UHFFFAOYSA-N	-1	0	290.341	0.135	20	30		CCEDRM
C[C@@H]1C[C@@H](C)[C@@H](C(=O)[N-]S(=O)(=O)CC2(C#N)CC2)O1	ZINC000793195288	581287807	/nfs/dbraw/zinc/28/78/07/581287807.db2.gz	IIKIDDKYFHGPPN-BBBLOLIVSA-N	-1	0	286.353	0.550	20	30		CCEDRM
Cc1cccc(CNC(=O)C(C#N)=C([O-])c2cnn(C)n2)c1	ZINC000793282462	581291961	/nfs/dbraw/zinc/29/19/61/581291961.db2.gz	ZDRBPOKWNFBIMS-GFCCVEGCSA-N	-1	0	297.318	0.762	20	30		CCEDRM
N#C[C@@H]1CN(C(=O)[C@H]2CCCCN2C(=O)[O-])CCO1	ZINC000740308063	581323097	/nfs/dbraw/zinc/32/30/97/581323097.db2.gz	UKAUJZISHSQKDD-NXEZZACHSA-N	-1	0	267.285	0.270	20	30		CCEDRM
N#Cc1ccc(CNC(=O)[C@@H]2COCCN2C(=O)[O-])cc1	ZINC000740312438	581323455	/nfs/dbraw/zinc/32/34/55/581323455.db2.gz	HBBBQZRGRYRBMM-LBPRGKRZSA-N	-1	0	289.291	0.553	20	30		CCEDRM
C#CCCN1CCN(C(=O)[C@H]2CCCCN2C(=O)[O-])CC1	ZINC000738456688	581330677	/nfs/dbraw/zinc/33/06/77/581330677.db2.gz	ADNYWAOQTQWJTR-CYBMUJFWSA-N	-1	0	293.367	0.686	20	30		CCEDRM
C=CCOCC(=O)N1C[C@@H](C)N(C(=O)[O-])[C@@H](C)C1	ZINC000738491876	581361144	/nfs/dbraw/zinc/36/11/44/581361144.db2.gz	PGPYDHURWUMACB-AOOOYVTPSA-N	-1	0	256.302	0.788	20	30		CCEDRM
COc1cc(C=NN[C@H](C)CO)ccc1OCCC(=O)[O-]	ZINC000783855086	581365844	/nfs/dbraw/zinc/36/58/44/581365844.db2.gz	GHQIGIHXSCXNSM-SNVBAGLBSA-N	-1	0	296.323	0.853	20	30		CCEDRM
C=CCC1(S(=O)(=O)[N-]C(=O)CCc2cncnc2)CC1	ZINC000797271293	581374963	/nfs/dbraw/zinc/37/49/63/581374963.db2.gz	ACTMAOXPRNOINF-UHFFFAOYSA-N	-1	0	295.364	0.964	20	30		CCEDRM
Cc1cnn(C)c1C=CC([O-])=C1C(=O)C=C(C)OC1=O	ZINC000794692012	581383871	/nfs/dbraw/zinc/38/38/71/581383871.db2.gz	SPRGXTVDHODRAP-MUBLQREKSA-N	-1	0	274.276	0.957	20	30		CCEDRM
C[C@@H](Oc1ccc(C=NN2CN=NC2=O)cc1)C(=O)[O-]	ZINC000794922188	581391051	/nfs/dbraw/zinc/39/10/51/581391051.db2.gz	ORIYJSSZZUKKIW-MRVPVSSYSA-N	-1	0	276.252	0.718	20	30		CCEDRM
C=CCNC(=O)c1ccc(NC(=O)C(=O)[N-]OC)cc1	ZINC000785358146	581406205	/nfs/dbraw/zinc/40/62/05/581406205.db2.gz	DDKQLJGEARZGCV-UHFFFAOYSA-N	-1	0	277.280	0.219	20	30		CCEDRM
CC(C)(C#N)CC(=O)[N-]S(=O)(=O)c1cnccn1	ZINC000786456440	581441832	/nfs/dbraw/zinc/44/18/32/581441832.db2.gz	ZAQJXNZGNAZXBB-UHFFFAOYSA-N	-1	0	268.298	0.221	20	30		CCEDRM
C=CCNC(=O)C(C#N)=C([O-])c1ccc(C(=O)OC)[nH]1	ZINC000796743858	581449432	/nfs/dbraw/zinc/44/94/32/581449432.db2.gz	HAJLHJYXENXWAN-MRVPVSSYSA-N	-1	0	275.264	0.426	20	30		CCEDRM
CC(C)NC(=O)C(C#N)=C([O-])c1cnn2c1OCCC2	ZINC000796744407	581449479	/nfs/dbraw/zinc/44/94/79/581449479.db2.gz	ISHUTPIHORPYRY-SECBINFHSA-N	-1	0	276.296	0.513	20	30		CCEDRM
C=CCCO[C@@H](C)C(=O)[N-]S(=O)(=O)c1cc[nH]n1	ZINC000796877537	581453101	/nfs/dbraw/zinc/45/31/01/581453101.db2.gz	WHYRRXCZVIBXBL-QMMMGPOBSA-N	-1	0	273.314	0.196	20	30		CCEDRM
C=C(C)[C@H](CC(=O)[N-]S(=O)(=O)c1cc[nH]n1)OCC	ZINC000796876882	581453104	/nfs/dbraw/zinc/45/31/04/581453104.db2.gz	RFIMIYZIOFWWAH-VIFPVBQESA-N	-1	0	287.341	0.586	20	30		CCEDRM
N#Cc1ccc(NC(=O)COC(=O)[C@@H]2C[C@H]2C(=O)[O-])cc1	ZINC000739123058	581507954	/nfs/dbraw/zinc/50/79/54/581507954.db2.gz	MNWSAGZSIXHGHV-GHMZBOCLSA-N	-1	0	288.259	0.761	20	30		CCEDRM
C[C@H]1CN(C(=O)[O-])CCN1C(=O)c1ccc(C#N)nc1	ZINC000739156928	581513360	/nfs/dbraw/zinc/51/33/60/581513360.db2.gz	MALSJHININBQOW-VIFPVBQESA-N	-1	0	274.280	0.778	20	30		CCEDRM
C[C@@H]1CN(S(=O)(=O)CCCC#N)C[C@@H](C)N1C(=O)[O-]	ZINC000739186732	581519970	/nfs/dbraw/zinc/51/99/70/581519970.db2.gz	BVCAUITVMIHYNQ-NXEZZACHSA-N	-1	0	289.357	0.693	20	30		CCEDRM
CCN(CCCNC(=O)C1(C#N)CCOCC1)C(=O)[O-]	ZINC000739417178	581549908	/nfs/dbraw/zinc/54/99/08/581549908.db2.gz	FDHMHGNPWYOLML-UHFFFAOYSA-N	-1	0	283.328	0.813	20	30		CCEDRM
CNC(=O)C(C#N)=C([O-])c1cccc2c1O[C@H](C)C(=O)N2	ZINC000729186196	581557737	/nfs/dbraw/zinc/55/77/37/581557737.db2.gz	FUISOEMQTPRFIS-APPZFPTMSA-N	-1	0	287.275	0.474	20	30		CCEDRM
CN(CC#N)Cc1nc(C(C)(C)NC(=O)[O-])no1	ZINC000739616224	581581130	/nfs/dbraw/zinc/58/11/30/581581130.db2.gz	FZQZJOIKKJJTHL-UHFFFAOYSA-N	-1	0	253.262	0.528	20	30		CCEDRM
CCOCCCNC(=O)C(C#N)=C([O-])c1cocn1	ZINC000729889418	581618567	/nfs/dbraw/zinc/61/85/67/581618567.db2.gz	POWOTJUYRBKQMK-VIFPVBQESA-N	-1	0	265.269	0.540	20	30		CCEDRM
C=CCCCn1cc(C(=O)OC)cc(-c2nnn[n-]2)c1=O	ZINC000735412716	581641584	/nfs/dbraw/zinc/64/15/84/581641584.db2.gz	JSOYAOPDIHAGOK-UHFFFAOYSA-N	-1	0	289.295	0.781	20	30		CCEDRM
C#Cc1ccc(C(=O)N(C)C[C@H](C)c2nnn[n-]2)cn1	ZINC000735387861	581642264	/nfs/dbraw/zinc/64/22/64/581642264.db2.gz	IMUZPCSZUWANGO-VIFPVBQESA-N	-1	0	270.296	0.452	20	30		CCEDRM
N#C[C@H](C(=O)NC1CCCC1)C(=O)[C@H]1CCN(C(=O)[O-])C1	ZINC000740303507	581661917	/nfs/dbraw/zinc/66/19/17/581661917.db2.gz	KCLZBNIBHLLTAI-ONGXEEELSA-N	-1	0	293.323	0.754	20	30		CCEDRM
N#CCCCCNC(=O)N1CC[C@H](CNC(=O)[O-])C1	ZINC000740306124	581662833	/nfs/dbraw/zinc/66/28/33/581662833.db2.gz	CHAKGVIBIIQMKW-SNVBAGLBSA-N	-1	0	268.317	0.979	20	30		CCEDRM
N#CCNC(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2N1C(=O)[O-]	ZINC000740305909	581663094	/nfs/dbraw/zinc/66/30/94/581663094.db2.gz	WWCKBOYMBMBMSZ-GUBZILKMSA-N	-1	0	251.286	0.937	20	30		CCEDRM
N#Cc1cc(NC(=O)C(=O)NCC(=O)[O-])ccc1Cl	ZINC000740311996	581664393	/nfs/dbraw/zinc/66/43/93/581664393.db2.gz	YGFUTWQOZBIJDP-UHFFFAOYSA-N	-1	0	281.655	0.351	20	30		CCEDRM
N#Cc1ccc(NCC(=O)N[C@H]2CCN(C(=O)[O-])C2)cc1	ZINC000740317742	581665006	/nfs/dbraw/zinc/66/50/06/581665006.db2.gz	SHJMMWXQFREMQI-LBPRGKRZSA-N	-1	0	288.307	0.839	20	30		CCEDRM
N#Cc1ccc(CNC(=O)NCCNC(=O)[O-])c(F)c1	ZINC000740316423	581665084	/nfs/dbraw/zinc/66/50/84/581665084.db2.gz	XDBUUPULJHVZTH-UHFFFAOYSA-N	-1	0	280.259	0.764	20	30		CCEDRM
COc1cc(C(=O)[O-])ccc1NN=Cc1cnnn1C	ZINC000756906048	581684686	/nfs/dbraw/zinc/68/46/86/581684686.db2.gz	RKESPWBCRSBDQQ-UHFFFAOYSA-N	-1	0	275.268	0.968	20	30		CCEDRM
C#CCNC(=O)CN(CC(=O)[O-])Cc1ccc(F)c(F)c1	ZINC000736078995	581686913	/nfs/dbraw/zinc/68/69/13/581686913.db2.gz	FFPIPWGRNOQFBB-UHFFFAOYSA-N	-1	0	296.273	0.601	20	30		CCEDRM
C#CCNC(=O)CN[C@H](C(=O)[O-])c1ccc(OC)cc1	ZINC000736076380	581694627	/nfs/dbraw/zinc/69/46/27/581694627.db2.gz	NDRSVQMWOUWCOU-ZDUSSCGKSA-N	-1	0	276.292	0.160	20	30		CCEDRM
C#CCN(CC#CC)C(=O)CCCN(C)C(=O)[O-]	ZINC000736076151	581694775	/nfs/dbraw/zinc/69/47/75/581694775.db2.gz	ACGYGKWMGRDHSV-UHFFFAOYSA-N	-1	0	250.298	0.862	20	30		CCEDRM
C=CCNC(=O)[C@@H](C)OC(=O)CCCNC(=O)[O-]	ZINC000736107242	581697624	/nfs/dbraw/zinc/69/76/24/581697624.db2.gz	VGHUGBLWJSBEPM-MRVPVSSYSA-N	-1	0	258.274	0.268	20	30		CCEDRM
C=C1c2ccccc2C(=O)N1CC(=O)N(CC#N)CC(=O)[O-]	ZINC000736096653	581702187	/nfs/dbraw/zinc/70/21/87/581702187.db2.gz	INSOHPDJBSRXJH-UHFFFAOYSA-N	-1	0	299.286	0.550	20	30		CCEDRM
C=C(C)CN(CC)C(=O)[C@H](C)N1CCO[C@@H](C(=O)[O-])C1	ZINC000736095100	581702247	/nfs/dbraw/zinc/70/22/47/581702247.db2.gz	IWAMYVDOHUVGEQ-NWDGAFQWSA-N	-1	0	284.356	0.585	20	30		CCEDRM
CON=Cc1ccc(C(=O)NC[C@](C)(O)C(=O)[O-])cc1	ZINC000769740356	581703549	/nfs/dbraw/zinc/70/35/49/581703549.db2.gz	AYSFASFNFJREEM-ZDUSSCGKSA-N	-1	0	280.280	0.232	20	30		CCEDRM
Cn1cc(CC(=O)[N-]S(=O)(=O)CC2(C#N)CCC2)cn1	ZINC000771079539	581742608	/nfs/dbraw/zinc/74/26/08/581742608.db2.gz	ZFEWYMCPLMYXDN-UHFFFAOYSA-N	-1	0	296.352	0.102	20	30		CCEDRM
CC(C)[C@](C)(C#N)NC(=O)COC(=O)CCCNC(=O)[O-]	ZINC000736350283	581748695	/nfs/dbraw/zinc/74/86/95/581748695.db2.gz	WIJHOKABFUMILW-ZDUSSCGKSA-N	-1	0	299.327	0.632	20	30		CCEDRM
CC(C)[C@@](C)(C#N)NC(=O)COC(=O)CCCNC(=O)[O-]	ZINC000736350282	581748758	/nfs/dbraw/zinc/74/87/58/581748758.db2.gz	WIJHOKABFUMILW-CYBMUJFWSA-N	-1	0	299.327	0.632	20	30		CCEDRM
Cc1nnc(N=NC2CCCC[C@H]2S(C)(=O)=O)[n-]c1=O	ZINC000741458190	581753698	/nfs/dbraw/zinc/75/36/98/581753698.db2.gz	UACOJRUNIZSOJS-SECBINFHSA-N	-1	0	299.356	0.641	20	30		CCEDRM
O=C([O-])C(F)(F)Oc1ccc(C=NN2CN=NC2=O)cc1	ZINC000770615320	581756356	/nfs/dbraw/zinc/75/63/56/581756356.db2.gz	JSNDHNYYMRZWGI-UHFFFAOYSA-N	-1	0	298.205	0.922	20	30		CCEDRM
CC(C)[C@H](N[C@@H](C(=O)[O-])c1ccc(C#N)cc1)C(N)=O	ZINC000736390990	581757416	/nfs/dbraw/zinc/75/74/16/581757416.db2.gz	YJLAJULPJHFJTM-NWDGAFQWSA-N	-1	0	275.308	0.783	20	30		CCEDRM
CO[C@@H](C)CS(=O)(=O)[N-]C(=O)c1cc(C#N)cs1	ZINC000764209961	581767228	/nfs/dbraw/zinc/76/72/28/581767228.db2.gz	RUQQMAKUMGLBSA-ZETCQYMHSA-N	-1	0	288.350	0.714	20	30		CCEDRM
CC(C)NC(=O)CCCC(=O)N(CC#N)CC(=O)[O-]	ZINC000736477436	581775714	/nfs/dbraw/zinc/77/57/14/581775714.db2.gz	MBWKCAUNTHAVBD-UHFFFAOYSA-N	-1	0	269.301	0.118	20	30		CCEDRM
CC(C)([N-]C(=O)C(F)(F)F)C(=O)N[C@H](C#N)C1CC1	ZINC000758920929	581776083	/nfs/dbraw/zinc/77/60/83/581776083.db2.gz	KUXFJGBGNRBAMV-SSDOTTSWSA-N	-1	0	277.246	0.862	20	30		CCEDRM
C[C@@H](CNC(=O)C(=O)Nc1ccc(F)c(C#N)c1)C(=O)[O-]	ZINC000736589088	581799663	/nfs/dbraw/zinc/79/96/63/581799663.db2.gz	WCBAZMHAZIYLIH-ZETCQYMHSA-N	-1	0	293.254	0.473	20	30		CCEDRM
C=CCS(=O)(=O)[N-]C(=O)[C@@H]1CC(=O)N(C(C)(C)C)C1	ZINC000772723801	581886701	/nfs/dbraw/zinc/88/67/01/581886701.db2.gz	TXUUMOMGDQCKIP-SECBINFHSA-N	-1	0	288.369	0.265	20	30		CCEDRM
CCN(CC(=O)N(CC#N)CC(=O)[O-])c1ccccc1	ZINC000737069195	581895433	/nfs/dbraw/zinc/89/54/33/581895433.db2.gz	ZUIJGZARYOTRFE-UHFFFAOYSA-N	-1	0	275.308	0.950	20	30		CCEDRM
CCN(C[C@@H](C)C#N)C(=O)COC(=O)C(C)(C)NC(=O)[O-]	ZINC000737078707	581897910	/nfs/dbraw/zinc/89/79/10/581897910.db2.gz	PZNMBDKMMYMJCS-VIFPVBQESA-N	-1	0	299.327	0.584	20	30		CCEDRM
CCN(CCC(=O)[O-])S(=O)(=O)CCCCC#N	ZINC000737101001	581903972	/nfs/dbraw/zinc/90/39/72/581903972.db2.gz	RMHXHIWEVGWOCK-UHFFFAOYSA-N	-1	0	262.331	0.807	20	30		CCEDRM
C=CCN(CC(=O)[O-])C(=O)CCOC[C@@H]1CCCO1	ZINC000762049713	581929501	/nfs/dbraw/zinc/92/95/01/581929501.db2.gz	DSVUEZHWCPTYIE-NSHDSACASA-N	-1	0	271.313	0.671	20	30		CCEDRM
C[C@H](C(=O)N(C)CCC#N)N1C[C@@H](C)N(C(=O)[O-])[C@H](C)C1	ZINC000738602208	581940006	/nfs/dbraw/zinc/94/00/06/581940006.db2.gz	MQBLGQSNRGSWJN-IJLUTSLNSA-N	-1	0	296.371	0.820	20	30		CCEDRM
CCOCCO[N-]C(=O)CNC(=O)c1ccc(C#N)cc1	ZINC000773916856	581946964	/nfs/dbraw/zinc/94/69/64/581946964.db2.gz	FDJDFEXFVDZWDJ-UHFFFAOYSA-N	-1	0	291.307	0.372	20	30		CCEDRM
C#CCNC(=O)CO[N-]C(=O)C(C)(C)c1ccccc1	ZINC000747835013	581954243	/nfs/dbraw/zinc/95/42/43/581954243.db2.gz	YMTWSQLYLBDHPH-UHFFFAOYSA-N	-1	0	274.320	0.761	20	30		CCEDRM
CN(CCCC(=O)[C@H](C#N)C(=O)NC1CC1)C(=O)[O-]	ZINC000737415041	581955230	/nfs/dbraw/zinc/95/52/30/581955230.db2.gz	BLSPHNXYPDWZAR-VIFPVBQESA-N	-1	0	267.285	0.364	20	30		CCEDRM
CCS(=O)(=O)[N-]C(=O)c1ccc(C#N)cc1C	ZINC000748845547	581990241	/nfs/dbraw/zinc/99/02/41/581990241.db2.gz	JFHJYNMZJOGLOS-UHFFFAOYSA-N	-1	0	252.295	0.946	20	30		CCEDRM
C=CCCCC(=O)[N-]S(=O)(=O)CCCC(=O)OC	ZINC000749036408	581994478	/nfs/dbraw/zinc/99/44/78/581994478.db2.gz	SBBAIXRRZQYKJA-UHFFFAOYSA-N	-1	0	277.342	0.742	20	30		CCEDRM
COc1ccc(O[C@@H](C)C(=O)N(CC#N)CC(=O)[O-])cc1	ZINC000738045124	582018590	/nfs/dbraw/zinc/01/85/90/582018590.db2.gz	XXDYTTFIEZYGHB-JTQLQIEISA-N	-1	0	292.291	0.899	20	30		CCEDRM
CS(=O)(=O)CC(=O)O[C@H](C(=O)[O-])c1ccc(C#N)cc1	ZINC000738151299	582025261	/nfs/dbraw/zinc/02/52/61/582025261.db2.gz	UIYZQRIPQUOBDB-NSHDSACASA-N	-1	0	297.288	0.272	20	30		CCEDRM
Cc1nc2cc[n-]n2c(=O)c1CC(=O)OCC1(C#N)CC1	ZINC000775857320	582043202	/nfs/dbraw/zinc/04/32/02/582043202.db2.gz	VITWOBSXTFJBTE-UHFFFAOYSA-N	-1	0	286.291	0.721	20	30		CCEDRM
CC(C)OCC(=O)[N-]S(=O)(=O)Cc1cccc(C#N)c1	ZINC000750417032	582043775	/nfs/dbraw/zinc/04/37/75/582043775.db2.gz	SWPBZSAYZGYZFZ-UHFFFAOYSA-N	-1	0	296.348	0.929	20	30		CCEDRM
C#CCCNC(=O)N1CC[C@@H](NC(=O)[O-])[C@@H](C)C1	ZINC000738457445	582052576	/nfs/dbraw/zinc/05/25/76/582052576.db2.gz	NXBJVUQVLRQMFB-VHSXEESVSA-N	-1	0	253.302	0.697	20	30		CCEDRM
C#CCN1CCC[C@H]1C(=O)N[C@@H]1CCC[C@H]1CNC(=O)[O-]	ZINC000738459858	582052951	/nfs/dbraw/zinc/05/29/51/582052951.db2.gz	GLMFQKGHCMCXJX-XQQFMLRXSA-N	-1	0	293.367	0.637	20	30		CCEDRM
C#CCNC(=O)[C@@H](C)OC(=O)[C@@](C)(CCC)NC(=O)[O-]	ZINC000738459803	582053216	/nfs/dbraw/zinc/05/32/16/582053216.db2.gz	DUHWBSBCJXXIBZ-NOZJJQNGSA-N	-1	0	284.312	0.494	20	30		CCEDRM
CCCOCC(=O)[N-]S(=O)(=O)CC(C)(C)C#N	ZINC000776136740	582053569	/nfs/dbraw/zinc/05/35/69/582053569.db2.gz	OJULVZCVCPOHTO-UHFFFAOYSA-N	-1	0	262.331	0.409	20	30		CCEDRM
C#CCNC(=O)COC(=O)c1ccc(NC(=O)[O-])cc1O	ZINC000738462931	582053869	/nfs/dbraw/zinc/05/38/69/582053869.db2.gz	GJMCAWSTMWNYTE-UHFFFAOYSA-N	-1	0	292.247	0.388	20	30		CCEDRM
Cn1nccc1C(=O)[N-]S(=O)(=O)CC(C)(C)C#N	ZINC000776140895	582053971	/nfs/dbraw/zinc/05/39/71/582053971.db2.gz	PMGQKKOSHJKIDJ-UHFFFAOYSA-N	-1	0	270.314	0.029	20	30		CCEDRM
CC(C)(C#N)CS(=O)(=O)[N-]C(=O)c1ccco1	ZINC000776142733	582054019	/nfs/dbraw/zinc/05/40/19/582054019.db2.gz	PWVPCTHAWCLUOS-UHFFFAOYSA-N	-1	0	256.283	0.889	20	30		CCEDRM
C=CCOCCCC(=O)[N-]S(=O)(=O)CC(C)(C)C#N	ZINC000776143212	582054067	/nfs/dbraw/zinc/05/40/67/582054067.db2.gz	UNVRIITZSSLOFP-UHFFFAOYSA-N	-1	0	288.369	0.965	20	30		CCEDRM
COC[C@H](C)CC(=O)[N-]S(=O)(=O)CC(C)(C)C#N	ZINC000776143549	582054150	/nfs/dbraw/zinc/05/41/50/582054150.db2.gz	HUQMVVHVYNHCOV-SECBINFHSA-N	-1	0	276.358	0.655	20	30		CCEDRM
CCOCCOCC(=O)[N-]S(=O)(=O)CC(C)(C)C#N	ZINC000776144506	582054565	/nfs/dbraw/zinc/05/45/65/582054565.db2.gz	PXQBIAKKKDRESJ-UHFFFAOYSA-N	-1	0	292.357	0.035	20	30		CCEDRM
C=CCOCC(=O)N1CCC[C@@H](CNC(=O)[O-])C1	ZINC000738491522	582055827	/nfs/dbraw/zinc/05/58/27/582055827.db2.gz	MQHLVAWTFCLUGT-JTQLQIEISA-N	-1	0	256.302	0.695	20	30		CCEDRM
C[C@@H](C#N)CNC(=O)CN(C[C@H]1CCCO1)C(=O)[O-]	ZINC000738602742	582065056	/nfs/dbraw/zinc/06/50/56/582065056.db2.gz	NMBASUFWFPFGSO-VHSXEESVSA-N	-1	0	269.301	0.421	20	30		CCEDRM
C=CCS(=O)(=O)[N-]C(=O)c1ccc2cc[nH]c2n1	ZINC000764782815	582068601	/nfs/dbraw/zinc/06/86/01/582068601.db2.gz	QYOHOCJXYLLITO-UHFFFAOYSA-N	-1	0	265.294	0.809	20	30		CCEDRM
C=CCC[C@H](NS(=O)(=O)C[C@@H](C)C(=O)OC)C(=O)[O-]	ZINC000776588716	582082791	/nfs/dbraw/zinc/08/27/91/582082791.db2.gz	QUGHWVWMHPYPOD-BDAKNGLRSA-N	-1	0	293.341	0.134	20	30		CCEDRM
C=CCN(CC(=O)[O-])S(=O)(=O)c1ncn(C)c1Cl	ZINC000776681369	582086853	/nfs/dbraw/zinc/08/68/53/582086853.db2.gz	YMWKYCSTZRWCNX-UHFFFAOYSA-N	-1	0	293.732	0.335	20	30		CCEDRM
Cc1nn(CCC(=O)[O-])c(C)c1C=NN1CCOCC1	ZINC000738922049	582089448	/nfs/dbraw/zinc/08/94/48/582089448.db2.gz	CRDQOYWWOXOPID-UHFFFAOYSA-N	-1	0	280.328	0.641	20	30		CCEDRM
N#CC1(C(=O)N[C@H]2CCCN(C(=O)[O-])C2)CCOCC1	ZINC000739066203	582100326	/nfs/dbraw/zinc/10/03/26/582100326.db2.gz	HSBSXMITPVQLOP-JTQLQIEISA-N	-1	0	281.312	0.565	20	30		CCEDRM
N#CC1CCN(C(=O)Nc2ccn(CC(=O)[O-])n2)CC1	ZINC000739066769	582100587	/nfs/dbraw/zinc/10/05/87/582100587.db2.gz	PVUGPSZGSUCCDZ-UHFFFAOYSA-N	-1	0	277.284	0.735	20	30		CCEDRM
N#C[C@H](C(=O)Nc1ccccn1)C(=O)[C@@H]1C[C@H]1C(=O)[O-]	ZINC000739074057	582101118	/nfs/dbraw/zinc/10/11/18/582101118.db2.gz	GQLNBJFQGYFEII-HLTSFMKQSA-N	-1	0	273.248	0.450	20	30		CCEDRM
N#CCN(CC(=O)[O-])C(=O)CN1CCc2ccccc21	ZINC000739078423	582101472	/nfs/dbraw/zinc/10/14/72/582101472.db2.gz	GTLPYXVAOXFBQN-UHFFFAOYSA-N	-1	0	273.292	0.486	20	30		CCEDRM
N#CCN(CC(=O)[O-])C(=O)c1ccn(-c2ccccc2)n1	ZINC000739085533	582101791	/nfs/dbraw/zinc/10/17/91/582101791.db2.gz	BFDYPSMYMAXIRG-UHFFFAOYSA-N	-1	0	284.275	0.923	20	30		CCEDRM
N#CCN(CC(=O)[O-])C(=O)c1ccc(-n2cccn2)nc1	ZINC000739087905	582102058	/nfs/dbraw/zinc/10/20/58/582102058.db2.gz	PUOUOQHUQFZHGN-UHFFFAOYSA-N	-1	0	285.263	0.318	20	30		CCEDRM
N#CCN(CC(=O)[O-])C(=O)c1cn(Cc2ccccc2)nn1	ZINC000739087484	582102067	/nfs/dbraw/zinc/10/20/67/582102067.db2.gz	MNTRENXSXLKDJI-UHFFFAOYSA-N	-1	0	299.290	0.377	20	30		CCEDRM
N#CCN(CC(=O)[O-])C(=O)c1ccc([N+](=O)[O-])o1	ZINC000739087573	582102115	/nfs/dbraw/zinc/10/21/15/582102115.db2.gz	OKSZCTBGMDJSTN-UHFFFAOYSA-N	-1	0	253.170	0.238	20	30		CCEDRM
N#CCN(CC(=O)[O-])C(=O)c1cnn(Cc2ccccc2)c1	ZINC000739088236	582102128	/nfs/dbraw/zinc/10/21/28/582102128.db2.gz	SSCOYLQSNLEATD-UHFFFAOYSA-N	-1	0	298.302	0.982	20	30		CCEDRM
N#Cc1ccc(C(=O)N[C@H]2CCCN(C(=O)[O-])C2)nc1	ZINC000739102196	582102385	/nfs/dbraw/zinc/10/23/85/582102385.db2.gz	SMIXIDDOVDNKBR-JTQLQIEISA-N	-1	0	274.280	0.825	20	30		CCEDRM
N#Cc1ccc(C(=O)Nc2ccn(CC(=O)[O-])n2)cn1	ZINC000739107805	582103137	/nfs/dbraw/zinc/10/31/37/582103137.db2.gz	ZWIZLMJSUOVARV-UHFFFAOYSA-N	-1	0	271.236	0.487	20	30		CCEDRM
C=C(Br)CNC(=O)N=c1nn[n-]n1CC	ZINC000888341401	613236924	/nfs/dbraw/zinc/23/69/24/613236924.db2.gz	DETCISKKGOWQJU-UHFFFAOYSA-N	-1	0	275.110	0.145	20	30		CCEDRM
C=C(C)CS(=O)(=O)N1CCC(C#CC(=O)[O-])CC1	ZINC000844818239	613354076	/nfs/dbraw/zinc/35/40/76/613354076.db2.gz	VTSIXQKCSWTHGW-UHFFFAOYSA-N	-1	0	271.338	0.692	20	30		CCEDRM
COC[C@@H](C#N)OC(=O)[C@@H]1CCCN(C(=O)[O-])C1	ZINC000833882036	616773703	/nfs/dbraw/zinc/77/37/03/616773703.db2.gz	IKSFLCRJNANGCM-RKDXNWHRSA-N	-1	0	256.258	0.458	20	30		CCEDRM
N#CCCn1ncc2c1ncnc2N1CC[C@@H](C(=O)[O-])C1	ZINC000819091206	596902853	/nfs/dbraw/zinc/90/28/53/596902853.db2.gz	SMQDLNLQFKNGER-SECBINFHSA-N	-1	0	286.295	0.651	20	30		CCEDRM
N#Cc1cc(S(N)(=O)=O)ccc1N1CC[C@@H](C(=O)[O-])C1	ZINC000819096033	596903080	/nfs/dbraw/zinc/90/30/80/596903080.db2.gz	SZPHCBSZMPNBJZ-MRVPVSSYSA-N	-1	0	295.320	0.117	20	30		CCEDRM
C[C@@H](C(=O)[O-])N(C)C(=O)C#Cc1ccc2c(c1)OCO2	ZINC000817743963	597134478	/nfs/dbraw/zinc/13/44/78/597134478.db2.gz	NOROQAUTZBLDNH-VIFPVBQESA-N	-1	0	275.260	0.698	20	30		CCEDRM
Cn1ccc(CNC(=O)[C@](C)(C#N)CC(=O)[O-])n1	ZINC000821305192	597607195	/nfs/dbraw/zinc/60/71/95/597607195.db2.gz	RDJCSRBSAPYASI-NSHDSACASA-N	-1	0	250.258	0.041	20	30		CCEDRM
C[C@](C#N)(CC(=O)[O-])C(=O)N[C@H]1CCCOCC1	ZINC000819821208	597608344	/nfs/dbraw/zinc/60/83/44/597608344.db2.gz	DIVWTIPHPNPNQP-JOYOIKCWSA-N	-1	0	254.286	0.676	20	30		CCEDRM
C[C@](C#N)(CC(=O)[O-])C(=O)OC[C@@H]1COC(=O)O1	ZINC000819865491	597615460	/nfs/dbraw/zinc/61/54/60/597615460.db2.gz	LTDKLQGTPSMWFL-LHLIQPBNSA-N	-1	0	257.198	0.070	20	30		CCEDRM
Cc1nnc(COC(=O)[C@](C)(C#N)CC(=O)[O-])s1	ZINC000821224459	597625726	/nfs/dbraw/zinc/62/57/26/597625726.db2.gz	DACJUPIMRYNLEX-JTQLQIEISA-N	-1	0	269.282	0.894	20	30		CCEDRM
C[C@](C#N)(CC(=O)[O-])C(=O)N1CCC[C@H]1Cn1cccn1	ZINC000819811523	597643652	/nfs/dbraw/zinc/64/36/52/597643652.db2.gz	QFNLHQYFTSZVJB-SMDDNHRTSA-N	-1	0	290.323	0.879	20	30		CCEDRM
C[C@H](NC(=O)[C@](C)(C#N)CC(=O)[O-])[C@H](C)N1CCOCC1	ZINC000820114491	597644472	/nfs/dbraw/zinc/64/44/72/597644472.db2.gz	NXTGGQPJCGUDKB-MJVIPROJSA-N	-1	0	297.355	0.216	20	30		CCEDRM
C[C@@](C#N)(CC(=O)[O-])C(=O)NC[C@@H](O)c1ccsc1	ZINC000819835957	597648260	/nfs/dbraw/zinc/64/82/60/597648260.db2.gz	YVFSZMOMILNHLF-SKDRFNHKSA-N	-1	0	282.321	0.902	20	30		CCEDRM
C[C@](C#N)(CC(=O)[O-])C(=O)NC[C@H]1CSCCS1	ZINC000819833847	597653981	/nfs/dbraw/zinc/65/39/81/597653981.db2.gz	JMEBGIHQKZLYFG-GZMMTYOYSA-N	-1	0	288.394	0.956	20	30		CCEDRM
C[C@@](C#N)(CC(=O)[O-])C(=O)N1CCC[C@H](CCO)C1	ZINC000819810465	597659587	/nfs/dbraw/zinc/65/95/87/597659587.db2.gz	BKDUOXHQQHQEMY-MFKMUULPSA-N	-1	0	268.313	0.612	20	30		CCEDRM
C[C@@](C#N)(CC(=O)[O-])C(=O)N1CC[C@H](CCO)C1	ZINC000819812163	597659685	/nfs/dbraw/zinc/65/96/85/597659685.db2.gz	YYZNBBRSLJTKAG-SKDRFNHKSA-N	-1	0	254.286	0.222	20	30		CCEDRM
C[C@](C#N)(CC(=O)[O-])C(=O)N[C@@H](CO)CC1CC1	ZINC000819823024	597671036	/nfs/dbraw/zinc/67/10/36/597671036.db2.gz	RGTVZXBPQMRPLK-BXKDBHETSA-N	-1	0	254.286	0.268	20	30		CCEDRM
O=C([O-])CCNN=C1C(=O)Nc2cc3c(cc21)OCCO3	ZINC000821525251	597743906	/nfs/dbraw/zinc/74/39/06/597743906.db2.gz	NKEYCIHQIRADBA-UHFFFAOYSA-N	-1	0	291.263	0.178	20	30		CCEDRM
C#CCOCCNS(=O)(=O)c1cc(C(=O)[O-])c(C)o1	ZINC000833365986	612989602	/nfs/dbraw/zinc/98/96/02/612989602.db2.gz	AONZVEPUUSWEIX-UHFFFAOYSA-N	-1	0	287.293	0.214	20	30		CCEDRM
Cc1onc(CC(=O)NCCCCC(=O)[O-])c1C#N	ZINC000821257524	598220802	/nfs/dbraw/zinc/22/08/02/598220802.db2.gz	PZFFMZSGNWYYFI-UHFFFAOYSA-N	-1	0	265.269	0.768	20	30		CCEDRM
C[C@@](C#N)(CC(=O)[O-])C(=O)NCc1cccc(C(N)=O)c1	ZINC000819842352	598223622	/nfs/dbraw/zinc/22/36/22/598223622.db2.gz	NPAYKIZOXUIRDD-AWEZNQCLSA-N	-1	0	289.291	0.406	20	30		CCEDRM
C[C@@](C#N)(CC(=O)[O-])C(=O)NC[C@@H]1CCCOC1	ZINC000819833523	598224603	/nfs/dbraw/zinc/22/46/03/598224603.db2.gz	HPNJSSHEZCAERZ-CABZTGNLSA-N	-1	0	254.286	0.534	20	30		CCEDRM
Cc1cc(C(=O)NCC(=O)[O-])nn1-c1cccc(C#N)c1	ZINC000820959330	598227736	/nfs/dbraw/zinc/22/77/36/598227736.db2.gz	NKZRVIJPIOFLSR-UHFFFAOYSA-N	-1	0	284.275	0.867	20	30		CCEDRM
C[C@@H](NC(=O)[C@](C)(C#N)CC(=O)OC(C)(C)C)C(=O)[O-]	ZINC000820115341	598230540	/nfs/dbraw/zinc/23/05/40/598230540.db2.gz	UWCHHAIJSBXPEO-OQPBUACISA-N	-1	0	284.312	0.837	20	30		CCEDRM
C[C@@H]1OCCN(C(=O)[C@@](C)(C#N)CC(=O)[O-])[C@H]1C	ZINC000820256833	598230735	/nfs/dbraw/zinc/23/07/35/598230735.db2.gz	LBEYRRXNRVCOBV-HOTUBEGUSA-N	-1	0	254.286	0.627	20	30		CCEDRM
C[C@@H](C(=O)Nc1nc(C#N)c(-c2nn[nH]n2)[n-]1)c1ccco1	ZINC000819877471	599313109	/nfs/dbraw/zinc/31/31/09/599313109.db2.gz	WHWQNRLJXJJNRK-ZCFIWIBFSA-N	-1	0	298.266	0.797	20	30		CCEDRM
N#CCN(CC(=O)[O-])C[C@H](O)COc1ccc(Cl)cc1	ZINC000833066930	601226966	/nfs/dbraw/zinc/22/69/66/601226966.db2.gz	LWBYIOZQOYSEDK-NSHDSACASA-N	-1	0	298.726	0.990	20	30		CCEDRM
C#CCO[C@@H](C)C(=O)NCc1ccoc1C(=O)[O-]	ZINC000909961094	612996672	/nfs/dbraw/zinc/99/66/72/612996672.db2.gz	AADUVDBWXLZRQI-QMMMGPOBSA-N	-1	0	251.238	0.632	20	30		CCEDRM
C#CCO[C@@H](C)C(=O)N1CCSC[C@@H](C(=O)[O-])C1	ZINC000910147013	612995180	/nfs/dbraw/zinc/99/51/80/612995180.db2.gz	IJMNLDMFLYUNNY-UWVGGRQHSA-N	-1	0	271.338	0.301	20	30		CCEDRM
C#CCO[C@@H](C)C(=O)N1C[C@@H](C)[C@H](CC(=O)[O-])C1	ZINC000910858126	612995512	/nfs/dbraw/zinc/99/55/12/612995512.db2.gz	PYWNYAFGAMKHQO-OUAUKWLOSA-N	-1	0	253.298	0.594	20	30		CCEDRM
C[C@@H](CC#N)NS(=O)(=O)c1ccc(OCC(=O)[O-])cc1	ZINC000050391926	599730365	/nfs/dbraw/zinc/73/03/65/599730365.db2.gz	YSOWYQQBHGURNL-VIFPVBQESA-N	-1	0	298.320	0.730	20	30		CCEDRM
N#Cc1ccc(C(=O)N2CCC[C@@H](C(=O)[O-])C2)nc1	ZINC000111280699	599731275	/nfs/dbraw/zinc/73/12/75/599731275.db2.gz	DRINMVLVBYFLRY-SNVBAGLBSA-N	-1	0	259.265	0.890	20	30		CCEDRM
C=CCNC(=O)NC(=O)CN[C@H](C(=O)[O-])c1ccccc1	ZINC000050510608	599758149	/nfs/dbraw/zinc/75/81/49/599758149.db2.gz	AUWKOUBWZQKKSY-LBPRGKRZSA-N	-1	0	291.307	0.414	20	30		CCEDRM
C#CCN(CC)S(=O)(=O)c1ccc(C(=O)[O-])o1	ZINC000164454341	599773940	/nfs/dbraw/zinc/77/39/40/599773940.db2.gz	VGGQOIJDDBCGSV-UHFFFAOYSA-N	-1	0	257.267	0.622	20	30		CCEDRM
N#CCNC(=O)CN1Cc2ccc(C(=O)[O-])cc2C1	ZINC000131276099	599928142	/nfs/dbraw/zinc/92/81/42/599928142.db2.gz	FOVFKWVOYIGTKR-UHFFFAOYSA-N	-1	0	259.265	0.340	20	30		CCEDRM
C#CCNC(=O)Cn1nc(C)c([C@@H](C)C(=O)[O-])c1C	ZINC000833365434	612946183	/nfs/dbraw/zinc/94/61/83/612946183.db2.gz	JLQIKLWICUDWAR-MRVPVSSYSA-N	-1	0	263.297	0.437	20	30		CCEDRM
C=C(Cl)CNS(=O)(=O)N1CCC(C(=O)[O-])CC1	ZINC000160971622	600237799	/nfs/dbraw/zinc/23/77/99/600237799.db2.gz	KZGNOARWVNMHAJ-UHFFFAOYSA-N	-1	0	282.749	0.370	20	30		CCEDRM
N#CCNC(=O)COc1ccc([N+](=O)[O-])c(C(=O)[O-])c1	ZINC000236460194	600440208	/nfs/dbraw/zinc/44/02/08/600440208.db2.gz	UGSVUMJBHNGIDT-UHFFFAOYSA-N	-1	0	279.208	0.312	20	30		CCEDRM
Cn1cc(S(=O)(=O)OCC(F)(F)F)cc1C(=O)[O-]	ZINC000833056228	600764403	/nfs/dbraw/zinc/76/44/03/600764403.db2.gz	ZOYSKPHVJIHYEX-UHFFFAOYSA-N	-1	0	287.215	0.991	20	30		CCEDRM
N#Cc1ccc(-c2nnc(Cn3cc(C(=O)[O-])nn3)o2)cc1	ZINC000833070597	600803095	/nfs/dbraw/zinc/80/30/95/600803095.db2.gz	NRMXDPURALFKMF-UHFFFAOYSA-N	-1	0	296.246	0.946	20	30		CCEDRM
Cc1ccc(NC(=O)CN(CC#N)CC(=O)[O-])cc1F	ZINC000832944126	601003526	/nfs/dbraw/zinc/00/35/26/601003526.db2.gz	XAWLRPFTKQWGED-UHFFFAOYSA-N	-1	0	279.271	0.983	20	30		CCEDRM
N#C[C@@H]1COCCN1CC(=O)Nc1cccc(C(=O)[O-])c1	ZINC000833063549	601041647	/nfs/dbraw/zinc/04/16/47/601041647.db2.gz	YUFMODYAXHSBDO-GFCCVEGCSA-N	-1	0	289.291	0.548	20	30		CCEDRM
N#CCN(CC(=O)[O-])C(=O)c1ccc(Br)nc1	ZINC000833066097	601059553	/nfs/dbraw/zinc/05/95/53/601059553.db2.gz	OBXNWRLQONSGHV-UHFFFAOYSA-N	-1	0	298.096	0.894	20	30		CCEDRM
C#CCNS(=O)(=O)c1cc(C(=O)[O-])ccc1OC	ZINC000013077163	601207356	/nfs/dbraw/zinc/20/73/56/601207356.db2.gz	XUIUDZXMWWVJNT-UHFFFAOYSA-N	-1	0	269.278	0.305	20	30		CCEDRM
C#CCNC(=O)CNc1cc(C(=O)[O-])c(F)cc1F	ZINC000825618469	601247287	/nfs/dbraw/zinc/24/72/87/601247287.db2.gz	CGLOFACAGLFHBQ-UHFFFAOYSA-N	-1	0	268.219	0.824	20	30		CCEDRM
CS(=O)(=O)CC(=O)O[C@H](C(=O)[O-])c1cccc(C#N)c1	ZINC000832664482	601350296	/nfs/dbraw/zinc/35/02/96/601350296.db2.gz	BKLALTJJUHOFSB-NSHDSACASA-N	-1	0	297.288	0.272	20	30		CCEDRM
N#Cc1cccc([C@H](OC(=O)C2(C(N)=O)CC2)C(=O)[O-])c1	ZINC000833074549	601353125	/nfs/dbraw/zinc/35/31/25/601353125.db2.gz	AIAXEMJVGLPQQV-JTQLQIEISA-N	-1	0	288.259	0.493	20	30		CCEDRM
CCN(CCC#N)CC(=O)N[C@@H](CC(C)C)C(=O)[O-]	ZINC000829697633	601376973	/nfs/dbraw/zinc/37/69/73/601376973.db2.gz	VBBXAARZTJJHAV-NSHDSACASA-N	-1	0	269.345	0.837	20	30		CCEDRM
N#CCCCCS(=O)(=O)N1CCO[C@@H](CC(=O)[O-])C1	ZINC000833065645	601398089	/nfs/dbraw/zinc/39/80/89/601398089.db2.gz	IKACGOMKIILPHC-JTQLQIEISA-N	-1	0	290.341	0.186	20	30		CCEDRM
N#Cc1ccc([C@H](C(=O)[O-])N2CCO[C@H](CO)C2)cc1	ZINC000833071030	601427234	/nfs/dbraw/zinc/42/72/34/601427234.db2.gz	CPGNJFUMVRBXLZ-QWHCGFSZSA-N	-1	0	276.292	0.377	20	30		CCEDRM
N#Cc1ccc(OCCN2CCOC[C@H]2C(=O)[O-])cc1	ZINC000088381297	601558517	/nfs/dbraw/zinc/55/85/17/601558517.db2.gz	QNAXPQDJQFVSRL-ZDUSSCGKSA-N	-1	0	276.292	0.722	20	30		CCEDRM
C#CCNC(=O)CNc1cc(C(=O)[O-])cc(C(=O)OC)c1	ZINC000825618867	601597171	/nfs/dbraw/zinc/59/71/71/601597171.db2.gz	FWNQOSHEQOKQDS-UHFFFAOYSA-N	-1	0	290.275	0.333	20	30		CCEDRM
N#Cc1ccccc1OCC(=O)N1CC[C@](F)(C(=O)[O-])C1	ZINC000833074773	601659618	/nfs/dbraw/zinc/65/96/18/601659618.db2.gz	BYASCYJGTFRXHN-CQSZACIVSA-N	-1	0	292.266	0.962	20	30		CCEDRM
N#Cc1ccc(C(=O)N2CCO[C@H](CC(=O)[O-])C2)cc1	ZINC000091292542	601671121	/nfs/dbraw/zinc/67/11/21/601671121.db2.gz	KIIJBOZNNXTJEO-GFCCVEGCSA-N	-1	0	274.276	0.874	20	30		CCEDRM
C[C@H](OC(=O)c1cc(C#N)cs1)C(=O)NCC(=O)[O-]	ZINC000827845424	601683221	/nfs/dbraw/zinc/68/32/21/601683221.db2.gz	YZZCBNDCLBLNFU-LURJTMIESA-N	-1	0	282.277	0.366	20	30		CCEDRM
Cn1cc(C#N)c(NC(=O)NCC(C)(C)C(=O)[O-])n1	ZINC000833040453	601759601	/nfs/dbraw/zinc/75/96/01/601759601.db2.gz	IKHUDZZPDYHSMF-UHFFFAOYSA-N	-1	0	265.273	0.524	20	30		CCEDRM
N#Cc1ccc([C@H](O)CN2CCO[C@@H](CC(=O)[O-])C2)cc1	ZINC000833071766	602018738	/nfs/dbraw/zinc/01/87/38/602018738.db2.gz	IJEQFVCGPMVUSA-UONOGXRCSA-N	-1	0	290.319	0.767	20	30		CCEDRM
C#CCSCCNC(=O)N1C[C@@H](F)C[C@H]1C(=O)[O-]	ZINC000909051515	613016659	/nfs/dbraw/zinc/01/66/59/613016659.db2.gz	AYEREOXKGHAGCU-IUCAKERBSA-N	-1	0	274.317	0.559	20	30		CCEDRM
C#CCCCCNC(=O)N1CCO[C@H](C(=O)[O-])C1	ZINC000229758250	602264576	/nfs/dbraw/zinc/26/45/76/602264576.db2.gz	OPBWXOBRAJANAF-JTQLQIEISA-N	-1	0	254.286	0.285	20	30		CCEDRM
N#CCN(CC(=O)[O-])C(=O)c1ccc([N+](=O)[O-])cn1	ZINC000833065541	602368017	/nfs/dbraw/zinc/36/80/17/602368017.db2.gz	CMSYEVKDDPXLCF-UHFFFAOYSA-N	-1	0	264.197	0.040	20	30		CCEDRM
C#CC[C@@H](CCOC)NC(=O)CCCc1nnn[n-]1	ZINC000825080824	613019452	/nfs/dbraw/zinc/01/94/52/613019452.db2.gz	XQGYUECKUHAKSD-JTQLQIEISA-N	-1	0	265.317	0.067	20	30		CCEDRM
C[C@@H](NC(=O)[O-])C(=O)NCc1cc(C#N)ccc1F	ZINC000825186735	603020136	/nfs/dbraw/zinc/02/01/36/603020136.db2.gz	UCWASKRWAWJARR-SSDOTTSWSA-N	-1	0	265.244	0.970	20	30		CCEDRM
C[C@H](CNC(=O)[O-])N(C)C(=O)Nc1ccn(CCC#N)n1	ZINC000824966352	603334289	/nfs/dbraw/zinc/33/42/89/603334289.db2.gz	FDVJUNDPCYPMFV-SECBINFHSA-N	-1	0	294.315	0.917	20	30		CCEDRM
C#CCNC(=O)[C@H](C)OC(=O)[C@@H]1CCCCN1C(=O)[O-]	ZINC000823457164	612951113	/nfs/dbraw/zinc/95/11/13/612951113.db2.gz	VSPLKFKLNFDNKI-UWVGGRQHSA-N	-1	0	282.296	0.200	20	30		CCEDRM
N#CCCN1C(=O)N[C@]2(CCCC[C@@H]2CNC(=O)[O-])C1=O	ZINC000831097878	603405588	/nfs/dbraw/zinc/40/55/88/603405588.db2.gz	XEFYMRBBXHRHCQ-RNCFNFMXSA-N	-1	0	294.311	0.648	20	30		CCEDRM
N#C[C@]1(NC(=O)[C@@H]2CC[C@@H](NC(=O)[O-])C2)CCSC1	ZINC000831071182	603476364	/nfs/dbraw/zinc/47/63/64/603476364.db2.gz	ZUBHUMHGXUJYQO-KBVBSXBZSA-N	-1	0	283.353	0.938	20	30		CCEDRM
N#CCN1CCN(C(=O)CN(CC2CC2)C(=O)[O-])CC1	ZINC000831102273	603626527	/nfs/dbraw/zinc/62/65/27/603626527.db2.gz	FBVSJTIPHVMLIY-UHFFFAOYSA-N	-1	0	280.328	0.044	20	30		CCEDRM
C#CCNC(=O)[C@H](C)OC(=O)c1ccc(C(=O)[O-])cc1	ZINC000819700959	612951613	/nfs/dbraw/zinc/95/16/13/612951613.db2.gz	SUCNRVARWSKABJ-VIFPVBQESA-N	-1	0	275.260	0.680	20	30		CCEDRM
Cc1noc(C)c1CN1CCN(C(=O)[O-])C[C@H]1C#N	ZINC000830914322	603725418	/nfs/dbraw/zinc/72/54/18/603725418.db2.gz	OYMHTILBUYWQDV-SNVBAGLBSA-N	-1	0	264.285	0.979	20	30		CCEDRM
N#C[C@H]1CN(C(=O)[O-])CCN1CC(=O)NCc1ccco1	ZINC000831091830	603728321	/nfs/dbraw/zinc/72/83/21/603728321.db2.gz	LXKKYXKPBVQZBK-JTQLQIEISA-N	-1	0	292.295	0.084	20	30		CCEDRM
N#CC1CCN(C(=O)[C@]2(F)CCN(C(=O)[O-])C2)CC1	ZINC000831076660	603866619	/nfs/dbraw/zinc/86/66/19/603866619.db2.gz	QPJXWTVRMJYBNV-LBPRGKRZSA-N	-1	0	269.276	0.841	20	30		CCEDRM
C[C@]1(C(=O)N2CCN(CC#N)CC2)CCN(C(=O)[O-])C1	ZINC000825656791	603949219	/nfs/dbraw/zinc/94/92/19/603949219.db2.gz	LJWSPCAHGILACR-ZDUSSCGKSA-N	-1	0	280.328	0.044	20	30		CCEDRM
N#CCN(C(=O)[C@@H]1CC[C@H](NC(=O)[O-])C1)C1CC1	ZINC000831097245	603957724	/nfs/dbraw/zinc/95/77/24/603957724.db2.gz	GGVVVRIUHOUYFK-BDAKNGLRSA-N	-1	0	251.286	0.937	20	30		CCEDRM
N#C[C@H]1CCC[C@@H]1NC(=O)COC1CN(C(=O)[O-])C1	ZINC000831076334	604030094	/nfs/dbraw/zinc/03/00/94/604030094.db2.gz	KDVVOVFZJTVWLM-SCZZXKLOSA-N	-1	0	267.285	0.174	20	30		CCEDRM
N#C[C@@H]1CCC[C@H]1NC(=O)[C@H]1CSCN1C(=O)[O-]	ZINC000831077190	604030309	/nfs/dbraw/zinc/03/03/09/604030309.db2.gz	XELHPJJWZORJNS-DJLDLDEBSA-N	-1	0	269.326	0.848	20	30		CCEDRM
N#C[C@H]1CN(C(=O)[O-])CCN1C(=O)C#Cc1ccccc1	ZINC000831077370	604066630	/nfs/dbraw/zinc/06/66/30/604066630.db2.gz	ZOVHJVBOCOCJFT-ZDUSSCGKSA-N	-1	0	283.287	0.752	20	30		CCEDRM
N#C[C@H]1CN(C(=O)[O-])CCN1C(=O)C[C@H]1CCCO1	ZINC000831082545	604067229	/nfs/dbraw/zinc/06/72/29/604067229.db2.gz	NMEWXLCEKGAIBP-VHSXEESVSA-N	-1	0	267.285	0.270	20	30		CCEDRM
N#C[C@@H]1CN(C(=O)[O-])CCN1C(=O)c1ccncc1F	ZINC000831092834	604073753	/nfs/dbraw/zinc/07/37/53/604073753.db2.gz	ZEBHOWOATDSVNN-MRVPVSSYSA-N	-1	0	278.243	0.549	20	30		CCEDRM
N#C[C@@H]1CN(C(=O)[O-])CCN1C(=O)CCc1ccccn1	ZINC000831082531	604075291	/nfs/dbraw/zinc/07/52/91/604075291.db2.gz	NBXNUNSNTCJJQC-GFCCVEGCSA-N	-1	0	288.307	0.729	20	30		CCEDRM
C[C@H](CN(C)C(=O)[O-])C(=O)[C@@H](C#N)C(=O)NC1CCCC1	ZINC000824825074	604252914	/nfs/dbraw/zinc/25/29/14/604252914.db2.gz	PZOHTFMWEQYWRY-MWLCHTKSSA-N	-1	0	295.339	1.000	20	30		CCEDRM
N#Cc1ncn(CC(=O)N2C[C@@H](C(=O)[O-])c3ccccc32)n1	ZINC000833078345	604314730	/nfs/dbraw/zinc/31/47/30/604314730.db2.gz	HNNRMYGNSZMLBG-SNVBAGLBSA-N	-1	0	297.274	0.365	20	30		CCEDRM
N#Cc1cccnc1NCCNC(=O)C1(NC(=O)[O-])CC1	ZINC000831157341	604440742	/nfs/dbraw/zinc/44/07/42/604440742.db2.gz	WFIVJOQMIQBMRT-UHFFFAOYSA-N	-1	0	289.295	0.282	20	30		CCEDRM
N#CCCn1ccc(NC(=O)C2(NC(=O)[O-])CC2)n1	ZINC000831097663	604466396	/nfs/dbraw/zinc/46/63/96/604466396.db2.gz	PROGAPZADNPTSY-UHFFFAOYSA-N	-1	0	263.257	0.535	20	30		CCEDRM
C[C@@H](OC(=O)C1(C#N)CC(C)C1)C(=O)NCC(=O)[O-]	ZINC000828156919	604603488	/nfs/dbraw/zinc/60/34/88/604603488.db2.gz	UXKSVWLJUNMYNF-UWZOBUBJSA-N	-1	0	268.269	0.059	20	30		CCEDRM
N#CC1CCN(C(=O)NC2CN(C(=O)[O-])C2)CC1	ZINC000831076261	604623754	/nfs/dbraw/zinc/62/37/54/604623754.db2.gz	IVHCTPBYGBKQNP-UHFFFAOYSA-N	-1	0	252.274	0.294	20	30		CCEDRM
C[C@@H](NC(=O)[O-])[C@@H]1CN(C(=O)C2(C#N)CCCC2)CCO1	ZINC000825296107	604714152	/nfs/dbraw/zinc/71/41/52/604714152.db2.gz	ZEYTUMBBTWARSJ-MNOVXSKESA-N	-1	0	295.339	0.954	20	30		CCEDRM
C#CCCCCC(=O)N(CC(=O)[O-])CC(=O)OC	ZINC000833363018	605010177	/nfs/dbraw/zinc/01/01/77/605010177.db2.gz	WUSZRTLOQLZUFW-UHFFFAOYSA-N	-1	0	255.270	0.266	20	30		CCEDRM
C[C@@H](C(=O)[O-])n1cccc1C=NN1CC(=O)N(C)C1=O	ZINC000833407793	605040977	/nfs/dbraw/zinc/04/09/77/605040977.db2.gz	PSGSGGIJVGRGTB-QMMMGPOBSA-N	-1	0	278.268	0.362	20	30		CCEDRM
N#Cc1cccc(COC(=O)[C@H]2CN(C(=O)[O-])CCO2)c1	ZINC000831146492	605075911	/nfs/dbraw/zinc/07/59/11/605075911.db2.gz	RFWRKDPFSFIICV-GFCCVEGCSA-N	-1	0	290.275	0.980	20	30		CCEDRM
CC(C)(C#N)CNS(=O)(=O)N1CCC(C(=O)[O-])CC1	ZINC000157254382	605084607	/nfs/dbraw/zinc/08/46/07/605084607.db2.gz	ASZBKWCFDYVZNX-UHFFFAOYSA-N	-1	0	289.357	0.167	20	30		CCEDRM
N#CCCN(CC1CC1)CN1C[C@@H](C(=O)[O-])CC1=O	ZINC000833760139	605173881	/nfs/dbraw/zinc/17/38/81/605173881.db2.gz	GRWJXVOZEHGIQW-NSHDSACASA-N	-1	0	265.313	0.503	20	30		CCEDRM
N#C[C@H]1CCC[C@H]1NC(=O)CCOC1CN(C(=O)[O-])C1	ZINC000833963913	605309064	/nfs/dbraw/zinc/30/90/64/605309064.db2.gz	WJPOPENHCXNYHD-MWLCHTKSSA-N	-1	0	281.312	0.564	20	30		CCEDRM
N#CCCCNC(=O)CN(C[C@@H]1CCCO1)C(=O)[O-]	ZINC000833969702	605351056	/nfs/dbraw/zinc/35/10/56/605351056.db2.gz	WTGVOCHKPDXSPT-JTQLQIEISA-N	-1	0	269.301	0.565	20	30		CCEDRM
N#Cc1ncn(CC(=O)Oc2ccc(NC(=O)[O-])cc2)n1	ZINC000831161579	605378084	/nfs/dbraw/zinc/37/80/84/605378084.db2.gz	FDASKRDACOGCIM-UHFFFAOYSA-N	-1	0	287.235	0.845	20	30		CCEDRM
N#CCCCNS(=O)(=O)c1ccc(C(=O)[O-])o1	ZINC000054137458	605405919	/nfs/dbraw/zinc/40/59/19/605405919.db2.gz	YHAGAIIMGCJUMF-UHFFFAOYSA-N	-1	0	258.255	0.560	20	30		CCEDRM
N#CCCCNS(=O)(=O)c1csnc1C(=O)[O-]	ZINC000833760505	605408182	/nfs/dbraw/zinc/40/81/82/605408182.db2.gz	WUCZFPVYDWAKED-UHFFFAOYSA-N	-1	0	275.311	0.423	20	30		CCEDRM
C[C@@H](CS(=O)(=O)N1CCC[C@@](C)(C#N)C1)C(=O)[O-]	ZINC000833520032	605413298	/nfs/dbraw/zinc/41/32/98/605413298.db2.gz	RHJQEAGIOWGXIN-ONGXEEELSA-N	-1	0	274.342	0.663	20	30		CCEDRM
C#CCOCCNS(=O)(=O)c1ccc(C(=O)[O-])cc1C	ZINC000833366133	605418568	/nfs/dbraw/zinc/41/85/68/605418568.db2.gz	HSTBVZCFUOQKDD-UHFFFAOYSA-N	-1	0	297.332	0.621	20	30		CCEDRM
N#C[C@@H](C(=O)CC[C@@H]1CCN(C(=O)[O-])C1)C(=O)NC1CC1	ZINC000833959593	605487526	/nfs/dbraw/zinc/48/75/26/605487526.db2.gz	APHFIKWJAZKWII-KOLCDFICSA-N	-1	0	293.323	0.754	20	30		CCEDRM
N#Cc1cc(COC(=O)C2CN(C(=O)[O-])C2)ccn1	ZINC000833970969	605593801	/nfs/dbraw/zinc/59/38/01/605593801.db2.gz	ZLNZKKKICYXYLX-UHFFFAOYSA-N	-1	0	261.237	0.606	20	30		CCEDRM
N#C[C@@H]1CN(C(=O)[O-])C[C@@H]1NC[C@@H](O)c1ccc(F)cc1	ZINC000833968687	605683707	/nfs/dbraw/zinc/68/37/07/605683707.db2.gz	XLKNBOFBTCTTJF-KGYLQXTDSA-N	-1	0	293.298	0.951	20	30		CCEDRM
Cc1onc(CC(=O)N2CC[C@H](NC(=O)[O-])C2)c1C#N	ZINC000833935765	605697964	/nfs/dbraw/zinc/69/79/64/605697964.db2.gz	IWQDZUBEBJQJMA-QMMMGPOBSA-N	-1	0	278.268	0.266	20	30		CCEDRM
C[C@@H](NC(=O)[O-])C(=O)OCC(=O)c1cccc(C#N)c1	ZINC000833895481	605719519	/nfs/dbraw/zinc/71/95/19/605719519.db2.gz	VKQPTFHGNKUILB-MRVPVSSYSA-N	-1	0	276.248	0.940	20	30		CCEDRM
N#Cc1ccc(OCC(=O)NCC2CN(C(=O)[O-])C2)cc1	ZINC000833977698	605749293	/nfs/dbraw/zinc/74/92/93/605749293.db2.gz	SBLBYLXZKKJIQH-UHFFFAOYSA-N	-1	0	289.291	0.663	20	30		CCEDRM
C[C@@H](NC(=O)[O-])[C@@H]1CN(Cc2ccnc(C#N)c2)CCO1	ZINC000833820539	605783437	/nfs/dbraw/zinc/78/34/37/605783437.db2.gz	RYQVKOGUBRTPHA-MFKMUULPSA-N	-1	0	290.323	0.810	20	30		CCEDRM
N#Cc1ccc(C(=O)NC[C@H]2CCCN2C(=O)[O-])[nH]1	ZINC000833974764	605865270	/nfs/dbraw/zinc/86/52/70/605865270.db2.gz	WOZQTOVMGQCQGU-SECBINFHSA-N	-1	0	262.269	0.759	20	30		CCEDRM
N#CCC1CCN(C(=O)NC2CN(C(=O)[O-])C2)CC1	ZINC000833967240	605916559	/nfs/dbraw/zinc/91/65/59/605916559.db2.gz	CYDFUKSMYPIQEH-UHFFFAOYSA-N	-1	0	266.301	0.684	20	30		CCEDRM
N#CC1(COC(=O)[C@H]2COCCN2C(=O)[O-])CC1	ZINC000833964273	605999988	/nfs/dbraw/zinc/99/99/88/605999988.db2.gz	DLLGVBFYZPFFAI-MRVPVSSYSA-N	-1	0	254.242	0.212	20	30		CCEDRM
C[C@H](NC(=O)[O-])[C@@H]1CN(CC2(C#N)CC2)CCO1	ZINC000833819618	606002259	/nfs/dbraw/zinc/00/22/59/606002259.db2.gz	OIBCNPWRKRMZIA-UWVGGRQHSA-N	-1	0	253.302	0.647	20	30		CCEDRM
N#CCCN(CCC#N)C(=O)CCOC1CN(C(=O)[O-])C1	ZINC000833965633	606086695	/nfs/dbraw/zinc/08/66/95/606086695.db2.gz	PJZQGJSMCLEAIX-UHFFFAOYSA-N	-1	0	294.311	0.411	20	30		CCEDRM
N#Cc1cc(C(=O)NC[C@@H]2CCCN2C(=O)[O-])c[nH]1	ZINC000833970343	606089569	/nfs/dbraw/zinc/08/95/69/606089569.db2.gz	MULBMUVFTDFINB-JTQLQIEISA-N	-1	0	262.269	0.759	20	30		CCEDRM
N#Cc1nc(NC(=O)[C@@H]2C[C@H]2C2CC2)[n-]c1-c1nn[nH]n1	ZINC000822815692	606286555	/nfs/dbraw/zinc/28/65/55/606286555.db2.gz	XMGOTPSJIBOZBB-NKWVEPMBSA-N	-1	0	284.283	0.446	20	30		CCEDRM
C#CCCS(=O)(=O)[N-]C(=O)Cc1ncccc1OC	ZINC000810785237	613052936	/nfs/dbraw/zinc/05/29/36/613052936.db2.gz	CLJQPAIXOIZQTG-UHFFFAOYSA-N	-1	0	282.321	0.102	20	30		CCEDRM
C#CCCS(=O)(=O)[N-]C(=O)[C@H]1CCC(=O)[C@@H](C)C1	ZINC000810779675	613053361	/nfs/dbraw/zinc/05/33/61/613053361.db2.gz	XCFJZSKHUMPOMJ-UWVGGRQHSA-N	-1	0	271.338	0.461	20	30		CCEDRM
C#CC[C@H](NC(=O)[C@@H]1CCO[C@@H](CC)C1)C(=O)[O-]	ZINC000910048983	613068756	/nfs/dbraw/zinc/06/87/56/613068756.db2.gz	QISHDVSHZAGBLL-VWYCJHECSA-N	-1	0	253.298	0.784	20	30		CCEDRM
C#CC[C@H]1CCCN(C(=O)NCC(=O)[N-]OCC)C1	ZINC000845531567	613072215	/nfs/dbraw/zinc/07/22/15/613072215.db2.gz	BXTWWFGQNSGRGO-NSHDSACASA-N	-1	0	267.329	0.499	20	30		CCEDRM
Cc1cccc(Cn2c(N)nc(-c3nnn[n-]3)c2C#N)n1	ZINC000826298132	609174714	/nfs/dbraw/zinc/17/47/14/609174714.db2.gz	FLCVRXOCFGDIJA-UHFFFAOYSA-N	-1	0	281.283	0.269	20	30		CCEDRM
CC(C)(C)[S@](=O)CCNC(=O)[C@](C)(C#N)CC(=O)[O-]	ZINC000819841937	614045601	/nfs/dbraw/zinc/04/56/01/614045601.db2.gz	HFYHDUFKNXWDEQ-HXPMCKFVSA-N	-1	0	288.369	0.654	20	30		CCEDRM
CC(C)(O)CCn1cc(C(=O)[O-])cc(C#N)c1=O	ZINC000826636759	614186823	/nfs/dbraw/zinc/18/68/23/614186823.db2.gz	IWWFPQKUYQRVAR-UHFFFAOYSA-N	-1	0	250.254	0.579	20	30		CCEDRM
C#CCOCCC(=O)N(CCC(=O)[O-])C[C@@H]1CCCO1	ZINC000833364491	612977315	/nfs/dbraw/zinc/97/73/15/612977315.db2.gz	SFUGRDWIVIEFOF-LBPRGKRZSA-N	-1	0	283.324	0.509	20	30		CCEDRM
C#CCOCCC(=O)NC[C@@H](CC(C)C)C(=O)[O-]	ZINC000833364391	612979524	/nfs/dbraw/zinc/97/95/24/612979524.db2.gz	QDNLWTWIJILNOO-LLVKDONJSA-N	-1	0	255.314	0.889	20	30		CCEDRM
COc1ccc(CN2CCC(=NNCC(=O)[O-])C2=O)cc1	ZINC000853349997	617249413	/nfs/dbraw/zinc/24/94/13/617249413.db2.gz	AAGQXYJFNOYNIT-UHFFFAOYSA-N	-1	0	291.307	0.458	20	30		CCEDRM
COc1ccc(CNC(=O)NCCC(=O)[O-])cc1C#N	ZINC000820836626	617254614	/nfs/dbraw/zinc/25/46/14/617254614.db2.gz	AFTRIZLHXIGLAL-UHFFFAOYSA-N	-1	0	277.280	0.841	20	30		CCEDRM
COc1cccc(C(=O)[N-]S(=O)(=O)CCC#N)c1OC	ZINC000821584279	617292464	/nfs/dbraw/zinc/29/24/64/617292464.db2.gz	XFIGWEMPIUQDBF-UHFFFAOYSA-N	-1	0	298.320	0.677	20	30		CCEDRM
C#CC1(NC(=O)C[C@@]2(C(=O)[O-])CCOC2)CCCC1	ZINC000887316035	612949518	/nfs/dbraw/zinc/94/95/18/612949518.db2.gz	IRCPKYKXRVWRPN-ZDUSSCGKSA-N	-1	0	265.309	0.930	20	30		CCEDRM
C#CCNC(=O)c1ccccc1NC(=O)[C@H](C)NC(=O)[O-]	ZINC000833365136	612952702	/nfs/dbraw/zinc/95/27/02/612952702.db2.gz	CEYXLRMFTSJTMZ-VIFPVBQESA-N	-1	0	289.291	0.644	20	30		CCEDRM
C#CCCCCNC(=O)C(=O)N1CC[C@@](C)(C(=O)[O-])C1	ZINC000817111105	612977075	/nfs/dbraw/zinc/97/70/75/612977075.db2.gz	UAHQIOPCZKFGKF-CQSZACIVSA-N	-1	0	280.324	0.229	20	30		CCEDRM
C#CCCCCNC(=O)C(=O)NC[C@@H](C(=O)[O-])C(C)C	ZINC000848609414	612977244	/nfs/dbraw/zinc/97/72/44/612977244.db2.gz	DSYGFFUNUPRNLE-LLVKDONJSA-N	-1	0	282.340	0.379	20	30		CCEDRM
C#CCCCCNC(=O)C(=O)N1CC[C@H](C(=O)[O-])[C@@H](C)C1	ZINC000861715165	612977257	/nfs/dbraw/zinc/97/72/57/612977257.db2.gz	JSCJHBOLAQOQSL-RYUDHWBXSA-N	-1	0	294.351	0.475	20	30		CCEDRM
C#CCCCS(=O)(=O)N1CCC[C@@H](c2n[nH]c(=O)[n-]2)C1	ZINC000815045656	612983603	/nfs/dbraw/zinc/98/36/03/612983603.db2.gz	AHBWLEKWKWCMJY-SNVBAGLBSA-N	-1	0	298.368	0.433	20	30		CCEDRM
C#CCCN(CCOC)C(=O)CSc1n[nH]c(=O)[n-]1	ZINC000856389702	612987208	/nfs/dbraw/zinc/98/72/08/612987208.db2.gz	ADYAMQZQHUKFEW-UHFFFAOYSA-N	-1	0	284.341	0.101	20	30		CCEDRM
C#CCOCCNC(=O)[C@@H]1C[C@]1(C(=O)[O-])C(C)C	ZINC000899782473	612988678	/nfs/dbraw/zinc/98/86/78/612988678.db2.gz	VGLUSGAWDOVPTL-GWCFXTLKSA-N	-1	0	253.298	0.499	20	30		CCEDRM
C#CCO[N-]C(=O)Cn1cnc(-c2ccccc2)n1	ZINC000812786906	612992416	/nfs/dbraw/zinc/99/24/16/612992416.db2.gz	UBPUZSJSUPJSPZ-UHFFFAOYSA-N	-1	0	256.265	0.626	20	30		CCEDRM
C#CCO[N-]C(=O)[C@@]1(C(C)C)C[C@H]1C(=O)NOCC#C	ZINC000825136691	612992723	/nfs/dbraw/zinc/99/27/23/612992723.db2.gz	FEZGLSGIBFOBPY-SMDDNHRTSA-N	-1	0	278.308	0.011	20	30		CCEDRM
C#CCO[N-]C(=O)[C@@H]1Cc2ccccc2CN1C(C)=O	ZINC000855603952	612992731	/nfs/dbraw/zinc/99/27/31/612992731.db2.gz	WEHVRJQOQTXXDJ-AWEZNQCLSA-N	-1	0	272.304	0.641	20	30		CCEDRM
C#CCO[N-]C(=O)[C@@H]1CC(c2cccc(OC)c2)=NO1	ZINC000812783168	612992764	/nfs/dbraw/zinc/99/27/64/612992764.db2.gz	BSVMHODXPFYDPE-ZDUSSCGKSA-N	-1	0	274.276	0.869	20	30		CCEDRM
C#CCO[N-]C(=O)[C@H]1CC[C@@H](C(F)(F)F)NC1=O	ZINC000812782472	612992889	/nfs/dbraw/zinc/99/28/89/612992889.db2.gz	ULXHRMDMCUGSCT-BQBZGAKWSA-N	-1	0	264.203	0.125	20	30		CCEDRM
C#CCO[N-]C(=O)[C@H](NC(=O)c1ccccn1)C(C)C	ZINC000855603893	612992939	/nfs/dbraw/zinc/99/29/39/612992939.db2.gz	UOJDQBJFYJNLLN-GFCCVEGCSA-N	-1	0	275.308	0.517	20	30		CCEDRM
C#CCO[C@@H](C)C(=O)N1CC[C@@](C(=O)[O-])(C(C)C)C1	ZINC000909699259	612995320	/nfs/dbraw/zinc/99/53/20/612995320.db2.gz	QEINGJRYDXNQRG-FZMZJTMJSA-N	-1	0	267.325	0.984	20	30		CCEDRM
C#CCO[C@@H](C)C(=O)NCc1ccc(C(=O)[O-])cn1	ZINC000911731728	612996514	/nfs/dbraw/zinc/99/65/14/612996514.db2.gz	MQMVKPOMBRSZCW-VIFPVBQESA-N	-1	0	262.265	0.434	20	30		CCEDRM
C#CCO[C@@H](C)C(=O)N[C@@H]1CCCC[C@@H]1C(=O)[O-]	ZINC000910139509	612997033	/nfs/dbraw/zinc/99/70/33/612997033.db2.gz	SYOHTIUKGDDYMC-GARJFASQSA-N	-1	0	253.298	0.784	20	30		CCEDRM
C#CCO[C@H](C)C(=O)N(CCC(=O)[O-])CC(C)C	ZINC000908854619	612998907	/nfs/dbraw/zinc/99/89/07/612998907.db2.gz	LIJFQBYQQJMJPQ-LLVKDONJSA-N	-1	0	255.314	0.984	20	30		CCEDRM
C#CCO[C@H](C)C(=O)N1CC[C@](C(=O)[O-])(C(F)(F)F)C1	ZINC000909770296	613000297	/nfs/dbraw/zinc/00/02/97/613000297.db2.gz	ZHIVFQAMHURXBD-KCJUWKMLSA-N	-1	0	293.241	0.890	20	30		CCEDRM
C#CCO[C@H](C)C(=O)N1CC[C@H](OC)C[C@H]1C(=O)[O-]	ZINC000909984419	613000441	/nfs/dbraw/zinc/00/04/41/613000441.db2.gz	NLVUSVUQUGSDBR-VWYCJHECSA-N	-1	0	269.297	0.115	20	30		CCEDRM
C#CCO[C@H](C)C(=O)N1C[C@@H](C)[C@](C)(C(=O)[O-])C1	ZINC000910260467	613000755	/nfs/dbraw/zinc/00/07/55/613000755.db2.gz	PBRSNNFJWOEJGY-GIPNMCIBSA-N	-1	0	253.298	0.594	20	30		CCEDRM
C#CCO[C@H](C)C(=O)N[C@@H](C(=O)[O-])c1ccc(OC)cc1	ZINC000909329701	613002434	/nfs/dbraw/zinc/00/24/34/613002434.db2.gz	XKUISANXDHNXDY-ZWNOBZJWSA-N	-1	0	291.303	0.975	20	30		CCEDRM
C#CCCN1CCN(C(=O)[C@@H](C(=O)[O-])C(C)C)CC1	ZINC000911251547	613009235	/nfs/dbraw/zinc/00/92/35/613009235.db2.gz	AIACTZGRXWREJG-LBPRGKRZSA-N	-1	0	266.341	0.511	20	30		CCEDRM
C#CCCN1CCN(C(=O)[C@]2(C)CCN(C(=O)[O-])C2)CC1	ZINC000823445212	613010376	/nfs/dbraw/zinc/01/03/76/613010376.db2.gz	VYMWFTKEGSLWDW-OAHLLOKOSA-N	-1	0	293.367	0.544	20	30		CCEDRM
C#CC[C@@H](CO)NC(=O)c1cc(C(=O)[O-])cnc1C	ZINC000911394885	613028682	/nfs/dbraw/zinc/02/86/82/613028682.db2.gz	GXPBOSYACXYAMG-JTQLQIEISA-N	-1	0	262.265	0.202	20	30		CCEDRM
C#CC[C@@H](NC(=O)CNC(=O)CC1CCCCC1)C(=O)[O-]	ZINC000910054370	613039708	/nfs/dbraw/zinc/03/97/08/613039708.db2.gz	MUGDOSRZPZJFJW-GFCCVEGCSA-N	-1	0	294.351	0.666	20	30		CCEDRM
C#CC[C@@H](NC(=O)Cc1c(CC)nn(C)c1CC)C(=O)[O-]	ZINC000910050046	613040288	/nfs/dbraw/zinc/04/02/88/613040288.db2.gz	CVNSWYIBWDNNAL-GFCCVEGCSA-N	-1	0	291.351	0.680	20	30		CCEDRM
C#CC[C@@H](NC(=O)[C@@H](C)Cc1cnn(C)c1)C(=O)[O-]	ZINC000910050267	613040577	/nfs/dbraw/zinc/04/05/77/613040577.db2.gz	HUVSFWKLIQPMPJ-GXSJLCMTSA-N	-1	0	263.297	0.191	20	30		CCEDRM
C#CC[C@@H](NC(=O)[C@H]1CC12CC(OCC)C2)C(=O)[O-]	ZINC000910048209	613041285	/nfs/dbraw/zinc/04/12/85/613041285.db2.gz	GUHUSBYNADTIJV-JXRVJTEKSA-N	-1	0	265.309	0.784	20	30		CCEDRM
C#CC[C@@H](NC(=O)c1c(C2CC2)cnn1C)C(=O)[O-]	ZINC000910045966	613041585	/nfs/dbraw/zinc/04/15/85/613041585.db2.gz	IPSZIQHODFNSKL-SNVBAGLBSA-N	-1	0	261.281	0.504	20	30		CCEDRM
C#CC[C@@H](NC(=O)c1cccc2c1CCOC2)C(=O)[O-]	ZINC000923090940	613042015	/nfs/dbraw/zinc/04/20/15/613042015.db2.gz	USPKPPWIWYFGED-CYBMUJFWSA-N	-1	0	273.288	0.966	20	30		CCEDRM
C#CCCNC(=O)NC[C@H]1[C@H](C)OC(C)(C)N1C(=O)[O-]	ZINC000823444367	613047389	/nfs/dbraw/zinc/04/73/89/613047389.db2.gz	HHFHHUYYZNXTSM-UWVGGRQHSA-N	-1	0	283.328	0.812	20	30		CCEDRM
C#CCCNS(=O)(=O)c1ccc(OC)c(CC(=O)[O-])c1	ZINC000871871231	613048155	/nfs/dbraw/zinc/04/81/55/613048155.db2.gz	QQANCPDSRSXBDO-UHFFFAOYSA-N	-1	0	297.332	0.624	20	30		CCEDRM
C#CC[C@H](CCOC)NC(=O)C(=O)[N-]OC1CCCCC1	ZINC000875596864	613049274	/nfs/dbraw/zinc/04/92/74/613049274.db2.gz	UTSFPCYIOZLJIH-GFCCVEGCSA-N	-1	0	296.367	0.912	20	30		CCEDRM
C#CCCS(=O)(=O)[N-]C(=O)[C@@H](C)NC(=O)C(C)(C)C	ZINC000810786665	613052970	/nfs/dbraw/zinc/05/29/70/613052970.db2.gz	SAFQNBYMMLGBKK-SECBINFHSA-N	-1	0	288.369	0.007	20	30		CCEDRM
C#CCCS(=O)(=O)[N-]C(=O)Cc1c(F)cccc1F	ZINC000810780756	613053025	/nfs/dbraw/zinc/05/30/25/613053025.db2.gz	PQONVMCMXZGOMP-UHFFFAOYSA-N	-1	0	287.287	0.977	20	30		CCEDRM
C#CCCS(=O)(=O)[N-]C(=O)Cc1ccc(F)cc1	ZINC000810781423	613053060	/nfs/dbraw/zinc/05/30/60/613053060.db2.gz	BIVSRYMQOWXANU-UHFFFAOYSA-N	-1	0	269.297	0.838	20	30		CCEDRM
C#CCCS(=O)(=O)[N-]C(=O)[C@@]12C[C@@H]1COC2(C)C	ZINC000851000451	613053124	/nfs/dbraw/zinc/05/31/24/613053124.db2.gz	SZKFUMFBRDEMSN-BXKDBHETSA-N	-1	0	271.338	0.271	20	30		CCEDRM
C#CCCS(=O)(=O)[N-]C(=O)[C@@H]1CCC(=O)[C@@H](C)C1	ZINC000810779676	613053135	/nfs/dbraw/zinc/05/31/35/613053135.db2.gz	XCFJZSKHUMPOMJ-VHSXEESVSA-N	-1	0	271.338	0.461	20	30		CCEDRM
C#CCCS(=O)(=O)[N-]C(=O)[C@@H]1C[C@H]1C1CCC1	ZINC000845546285	613053191	/nfs/dbraw/zinc/05/31/91/613053191.db2.gz	WGACCJFDCHZEAD-WDEREUQCSA-N	-1	0	255.339	0.892	20	30		CCEDRM
C#CCCS(=O)(=O)[N-]C(=O)[C@@H]1[C@H](C)O[C@@H](C)[C@H]1C	ZINC000860722062	613053205	/nfs/dbraw/zinc/05/32/05/613053205.db2.gz	RAYNARGUTMMPQS-RCWTZXSCSA-N	-1	0	273.354	0.515	20	30		CCEDRM
C#CCCS(=O)(=O)[N-]C(=O)[C@@H](OC)[C@@H](C)CC	ZINC000810778591	613053210	/nfs/dbraw/zinc/05/32/10/613053210.db2.gz	FHGPFEDWRXUABG-UWVGGRQHSA-N	-1	0	261.343	0.517	20	30		CCEDRM
C#CCCS(=O)(=O)[N-]C(=O)[C@H]1C[C@]1(C)Br	ZINC000860722340	613053312	/nfs/dbraw/zinc/05/33/12/613053312.db2.gz	WQDJIBCAAZZUGI-APPZFPTMSA-N	-1	0	294.170	0.629	20	30		CCEDRM
C#CCCS(=O)(=O)[N-]C(=O)[C@H]1CCCSC1	ZINC000810783392	613053326	/nfs/dbraw/zinc/05/33/26/613053326.db2.gz	NJLACWHJEBNWBL-VIFPVBQESA-N	-1	0	261.368	0.599	20	30		CCEDRM
C#CCCS(=O)(=O)[N-]C(=O)c1cccc([N+](=O)[O-])c1C	ZINC000791111620	613053527	/nfs/dbraw/zinc/05/35/27/613053527.db2.gz	VDDDOYHWUGAKDJ-UHFFFAOYSA-N	-1	0	296.304	0.986	20	30		CCEDRM
C#CC[C@H](CO)NC(=O)CSc1n[n-]c(=S)s1	ZINC000854545598	613053681	/nfs/dbraw/zinc/05/36/81/613053681.db2.gz	MELRLFVFOSYOEJ-ZCFIWIBFSA-N	-1	0	289.407	0.419	20	30		CCEDRM
C#CCCS(=O)(=O)[N-]C(=O)c1ccn(C(C)C)n1	ZINC000788070863	613053874	/nfs/dbraw/zinc/05/38/74/613053874.db2.gz	MAMPZFDMOKNWQO-UHFFFAOYSA-N	-1	0	269.326	0.547	20	30		CCEDRM
C#CCCS(=O)(=O)[N-]C(=O)c1ncccc1C	ZINC000810782636	613053943	/nfs/dbraw/zinc/05/39/43/613053943.db2.gz	QQGGQTKBSGLFMA-UHFFFAOYSA-N	-1	0	252.295	0.473	20	30		CCEDRM
C#CCN(C(=O)CSc1n[nH]c(=O)[n-]1)C1CSC1	ZINC000912365296	613066139	/nfs/dbraw/zinc/06/61/39/613066139.db2.gz	KGBZWASIGNCIOZ-UHFFFAOYSA-N	-1	0	284.366	0.180	20	30		CCEDRM
C#CC[C@H](NC(=O)[C@@H](C)Oc1ccccn1)C(=O)[O-]	ZINC000910051460	613068510	/nfs/dbraw/zinc/06/85/10/613068510.db2.gz	VPOOLHZUBXAGQM-ZJUUUORDSA-N	-1	0	262.265	0.442	20	30		CCEDRM
C#CC[C@H](NC(=O)[C@@H]1CCCCN1C(=O)CCC)C(=O)[O-]	ZINC000910052735	613068714	/nfs/dbraw/zinc/06/87/14/613068714.db2.gz	HQJJEZIIELMSHB-RYUDHWBXSA-N	-1	0	294.351	0.760	20	30		CCEDRM
C#CC[C@H](NC(=O)[C@H]1CC12CC(OCC)C2)C(=O)[O-]	ZINC000910048210	613069450	/nfs/dbraw/zinc/06/94/50/613069450.db2.gz	GUHUSBYNADTIJV-PYUIQPRZSA-N	-1	0	265.309	0.784	20	30		CCEDRM
C#CCN(C(=O)[C@H]1C[C@@H](C)[C@H](C(=O)[O-])O1)C1CC1	ZINC000911406272	613069771	/nfs/dbraw/zinc/06/97/71/613069771.db2.gz	AKCLOLYGGGDQBB-FBIMIBRVSA-N	-1	0	251.282	0.489	20	30		CCEDRM
C#CC[C@H](NC(=O)c1cc(C(F)(F)F)n[nH]1)C(=O)[O-]	ZINC000910051008	613069898	/nfs/dbraw/zinc/06/98/98/613069898.db2.gz	DECSMLRWUKYXKU-YFKPBYRVSA-N	-1	0	275.186	0.635	20	30		CCEDRM
C#CC[C@H](NC(=O)c1ccc(OCCOC)cc1)C(=O)[O-]	ZINC000910055107	613070119	/nfs/dbraw/zinc/07/01/19/613070119.db2.gz	XNTZXOLIJCYFCW-ZDUSSCGKSA-N	-1	0	291.303	0.918	20	30		CCEDRM
C#CC[C@H](NC(=O)c1sc2nccn2c1C)C(=O)[O-]	ZINC000910051690	613070816	/nfs/dbraw/zinc/07/08/16/613070816.db2.gz	YPAXFXMIWJFEJS-QMMMGPOBSA-N	-1	0	277.305	0.911	20	30		CCEDRM
C#C[C@@H](CC)NS(=O)(=O)c1nc[nH]c1Br	ZINC000867198550	613084521	/nfs/dbraw/zinc/08/45/21/613084521.db2.gz	KWKFWYHGELHOHD-LURJTMIESA-N	-1	0	292.158	0.862	20	30		CCEDRM
C#C[C@@H](CC)NS(=O)(=O)c1cc(C(=O)OC)ccn1	ZINC000915042436	613084535	/nfs/dbraw/zinc/08/45/35/613084535.db2.gz	ZSDJJAFGDBJHIL-JTQLQIEISA-N	-1	0	282.321	0.558	20	30		CCEDRM
C#C[C@@H](NC(=O)C(=O)[N-]OC1CCCCC1)[C@H]1CCCO1	ZINC000809306716	613091336	/nfs/dbraw/zinc/09/13/36/613091336.db2.gz	UQHHFLVZDUULGM-CHWSQXEVSA-N	-1	0	294.351	0.664	20	30		CCEDRM
C#C[C@@H](NC(=O)Cn1ccc(C(=O)[O-])n1)C1CCOCC1	ZINC000911789137	613092983	/nfs/dbraw/zinc/09/29/83/613092983.db2.gz	GPLLVHQCQGBCRD-LLVKDONJSA-N	-1	0	291.307	0.126	20	30		CCEDRM
C#C[C@@H](NC(=O)NCC(=O)[N-]OCC)c1ccc(F)cc1	ZINC000845531913	613095363	/nfs/dbraw/zinc/09/53/63/613095363.db2.gz	KCPNRXSWTWTXLW-GFCCVEGCSA-N	-1	0	293.298	0.867	20	30		CCEDRM
C#CCN(CC#C)C(=O)C[C@@H]1CSCCN1C(=O)[O-]	ZINC000823451596	613098643	/nfs/dbraw/zinc/09/86/43/613098643.db2.gz	YURYYMFAOFKUBK-LLVKDONJSA-N	-1	0	280.349	0.567	20	30		CCEDRM
C#CCN(CC#C)S(=O)(=O)c1cc(C(=O)[O-])oc1CC	ZINC000833365368	613099249	/nfs/dbraw/zinc/09/92/49/613099249.db2.gz	QOQSRYWVCUJPRX-UHFFFAOYSA-N	-1	0	295.316	0.797	20	30		CCEDRM
C#CCN(CC#CC)C(=O)NCCCNC(=O)[O-]	ZINC000823450873	613099835	/nfs/dbraw/zinc/09/98/35/613099835.db2.gz	KCGOEQIEIBQAHA-UHFFFAOYSA-N	-1	0	251.286	0.312	20	30		CCEDRM
C#CCN(CC#CC)C(=O)N[C@H]1CCCN(C(=O)[O-])C1	ZINC000823451511	613100071	/nfs/dbraw/zinc/10/00/71/613100071.db2.gz	XJRMAPOSBIQEAI-LBPRGKRZSA-N	-1	0	277.324	0.797	20	30		CCEDRM
C#CCN(CC(=O)[O-])S(=O)(=O)c1ccc(C)nc1	ZINC000849219285	613103512	/nfs/dbraw/zinc/10/35/12/613103512.db2.gz	OVLCGIHDURCHHU-UHFFFAOYSA-N	-1	0	268.294	0.099	20	30		CCEDRM
C#CCN(CC(=O)[O-])S(=O)(=O)CC1(F)CCC1	ZINC000903854942	613103517	/nfs/dbraw/zinc/10/35/17/613103517.db2.gz	DIHFQGUTCZVRBE-UHFFFAOYSA-N	-1	0	263.290	0.228	20	30		CCEDRM
C#CCN(CC(=O)[O-])S(=O)(=O)c1cn(C(C)C)cn1	ZINC000849219152	613103842	/nfs/dbraw/zinc/10/38/42/613103842.db2.gz	KBEHXYSLNGWLCY-UHFFFAOYSA-N	-1	0	285.325	0.173	20	30		CCEDRM
C#CCN(CC)C(=O)C1(OC)CCN(C(=O)[O-])CC1	ZINC000833787405	613105219	/nfs/dbraw/zinc/10/52/19/613105219.db2.gz	NTOFVODNKYZQKZ-UHFFFAOYSA-N	-1	0	268.313	0.627	20	30		CCEDRM
C#C[C@H](C)NS(=O)(=O)c1cc(CC(=O)[O-])ccc1OC	ZINC000871951337	613118906	/nfs/dbraw/zinc/11/89/06/613118906.db2.gz	LRTQQHPIXPWMBZ-VIFPVBQESA-N	-1	0	297.332	0.622	20	30		CCEDRM
C#C[C@H](CO)[N-]S(=O)(=O)c1occc1Br	ZINC000916057553	613131172	/nfs/dbraw/zinc/13/11/72/613131172.db2.gz	SDNSKVHZIMQMMO-ZCFIWIBFSA-N	-1	0	294.126	0.315	20	30		CCEDRM
C/C=C(/CC)C(=O)N1CC(n2cc(C#N)c(=O)[n-]c2=O)C1	ZINC000863934702	613133207	/nfs/dbraw/zinc/13/32/07/613133207.db2.gz	LWPNSJGRCWJWPU-OQFOIZHKSA-N	-1	0	288.307	0.560	20	30		CCEDRM
C#Cc1ccc(C(=O)N2C[C@H](C)[C@H](C(=O)[O-])C2)cn1	ZINC000825636327	613174967	/nfs/dbraw/zinc/17/49/67/613174967.db2.gz	HRKHPQIPEQEREK-JOYOIKCWSA-N	-1	0	258.277	0.856	20	30		CCEDRM
C#Cc1ccc(C(=O)N[C@@](C)(COC)CC(=O)[O-])nc1	ZINC000825636070	613187986	/nfs/dbraw/zinc/18/79/86/613187986.db2.gz	BAXUXVDBMYXUDU-CQSZACIVSA-N	-1	0	276.292	0.673	20	30		CCEDRM
C=C(C)COCCNC(=O)C[C@H]1CN(C(=O)[O-])CCO1	ZINC000823480486	613351947	/nfs/dbraw/zinc/35/19/47/613351947.db2.gz	DQWAYKPKGHWPLK-NSHDSACASA-N	-1	0	286.328	0.464	20	30		CCEDRM
C=C(C)CO[N-]C(=O)C(=O)Nc1cnn(CC2CC2)c1	ZINC000846147525	613352350	/nfs/dbraw/zinc/35/23/50/613352350.db2.gz	XNFIJRMRJRKQDW-UHFFFAOYSA-N	-1	0	278.312	0.856	20	30		CCEDRM
C=C(C)CO[N-]C(=O)C(=O)Nc1cnn(C)c1C(F)F	ZINC000846147349	613352366	/nfs/dbraw/zinc/35/23/66/613352366.db2.gz	WERPZARKYWQGNW-UHFFFAOYSA-N	-1	0	288.254	0.920	20	30		CCEDRM
C=C(C)CO[N-]C(=O)C(=O)Nc1cc(C)n(C)n1	ZINC000846147361	613352385	/nfs/dbraw/zinc/35/23/85/613352385.db2.gz	WOLJJFWBFWVQCJ-UHFFFAOYSA-N	-1	0	252.274	0.291	20	30		CCEDRM
C=C(C)CO[N-]C(=O)C(=O)Nc1cn(C)nc1C1CC1	ZINC000846147900	613352415	/nfs/dbraw/zinc/35/24/15/613352415.db2.gz	XHAHPVGPXRQWDP-UHFFFAOYSA-N	-1	0	278.312	0.860	20	30		CCEDRM
C=C(C)CO[N-]C(=O)CN1C(=O)NC2(CCCCC2)C1=O	ZINC000846538681	613352473	/nfs/dbraw/zinc/35/24/73/613352473.db2.gz	WYIQAEHVOLKURK-UHFFFAOYSA-N	-1	0	295.339	0.865	20	30		CCEDRM
C=C(C)C[C@H](NC(=O)COCCCOC)C(=O)[O-]	ZINC000910294314	613358635	/nfs/dbraw/zinc/35/86/35/613358635.db2.gz	OYKVNVXGANRBAY-JTQLQIEISA-N	-1	0	259.302	0.575	20	30		CCEDRM
C=C(C)C[C@H](NC(=O)NCCO[C@@H]1CCOC1)C(=O)[O-]	ZINC000929017021	613358826	/nfs/dbraw/zinc/35/88/26/613358826.db2.gz	MGHZIKJHMXBROC-MNOVXSKESA-N	-1	0	286.328	0.511	20	30		CCEDRM
C=C(C)C[C@H](NS(=O)(=O)N(C)C(C)C)C(=O)[O-]	ZINC000864449879	613359839	/nfs/dbraw/zinc/35/98/39/613359839.db2.gz	WYKQLUXVYWXPPU-VIFPVBQESA-N	-1	0	264.347	0.580	20	30		CCEDRM
C=C(C)[C@@H](CC(=O)N[C@]1(C(=O)[O-])CCOC1)OCC	ZINC000833368034	613360462	/nfs/dbraw/zinc/36/04/62/613360462.db2.gz	ZKJRLBOEZAYNFK-ZWNOBZJWSA-N	-1	0	271.313	0.718	20	30		CCEDRM
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CCC[C@@H](c2nnn[n-]2)C1	ZINC000907102823	613361009	/nfs/dbraw/zinc/36/10/09/613361009.db2.gz	AGUYRSBAQBLECO-WOPDTQHZSA-N	-1	0	291.355	0.887	20	30		CCEDRM
C=C(C)[C@@H]1OCC[C@@H]1C(=O)OCc1n[nH]c(=O)[n-]1	ZINC000923167303	613361847	/nfs/dbraw/zinc/36/18/47/613361847.db2.gz	UUKATWMZCVMOPD-CBAPKCEASA-N	-1	0	253.258	0.535	20	30		CCEDRM
C=C(Cl)C[C@@H](NC(=O)NCc1nccn1C)C(=O)[O-]	ZINC000908938041	613388592	/nfs/dbraw/zinc/38/85/92/613388592.db2.gz	XJUBMHFLXYSADK-MRVPVSSYSA-N	-1	0	286.719	0.815	20	30		CCEDRM
C=C(Cl)C[C@H](NC(=O)CNC(=O)C(C)(C)C)C(=O)[O-]	ZINC000864183926	613390585	/nfs/dbraw/zinc/39/05/85/613390585.db2.gz	JPBJCQCHYRCRTI-QMMMGPOBSA-N	-1	0	290.747	0.861	20	30		CCEDRM
C=C(Cl)C[C@H](NC(=O)Cn1cccn1)C(=O)[O-]	ZINC000864181859	613390635	/nfs/dbraw/zinc/39/06/35/613390635.db2.gz	GZFFVDXXCQCASR-QMMMGPOBSA-N	-1	0	257.677	0.595	20	30		CCEDRM
C=C(Cl)C[C@H](NC(=O)c1cn(C)cn1)C(=O)[O-]	ZINC000864189884	613390806	/nfs/dbraw/zinc/39/08/06/613390806.db2.gz	VWXUFKPRERNLAA-ZETCQYMHSA-N	-1	0	257.677	0.746	20	30		CCEDRM
C=CCS(=O)(=O)[N-]C(=O)c1coc(C2CC2)n1	ZINC000802122013	613394895	/nfs/dbraw/zinc/39/48/95/613394895.db2.gz	YGYMKGMOPGDDRF-UHFFFAOYSA-N	-1	0	256.283	0.798	20	30		CCEDRM
C=C1CC(C)(C(=O)N[C@H](C)C(=O)N[C@@H](C)C(=O)[O-])C1	ZINC000910749932	613399581	/nfs/dbraw/zinc/39/95/81/613399581.db2.gz	YFABEIUNOZGFRP-BDAKNGLRSA-N	-1	0	268.313	0.437	20	30		CCEDRM
C=C1CCN(C(=O)C[C@@H]2CN(C(=O)[O-])CCO2)CC1	ZINC000823485340	613414361	/nfs/dbraw/zinc/41/43/61/613414361.db2.gz	DRNRWUIEYMAISW-LLVKDONJSA-N	-1	0	268.313	0.934	20	30		CCEDRM
C=CC[C@H]1CCN(C(=O)C(=O)N2CC[C@](C)(C(=O)[O-])C2)C1	ZINC000863745639	613421796	/nfs/dbraw/zinc/42/17/96/613421796.db2.gz	AZXYGWIMWGZPFT-NHYWBVRUSA-N	-1	0	294.351	0.734	20	30		CCEDRM
C=CCn1cc(C(=O)NC2CC(CC(=O)[O-])C2)nn1	ZINC000910807110	613427880	/nfs/dbraw/zinc/42/78/80/613427880.db2.gz	HMDBKDFQALZZHZ-UHFFFAOYSA-N	-1	0	264.285	0.447	20	30		CCEDRM
C=CCn1cc(C(=O)N[C@H]2C[C@@H](C(=O)[O-])[C@@H]3C[C@@H]32)nn1	ZINC000923197535	613431596	/nfs/dbraw/zinc/43/15/96/613431596.db2.gz	LWPSFIQDTGAPOR-RGOKHQFPSA-N	-1	0	276.296	0.303	20	30		CCEDRM
C=CCn1cc(CNC(=O)C(F)(F)C(F)F)nn1	ZINC000819606385	613433922	/nfs/dbraw/zinc/43/39/22/613433922.db2.gz	PCTVWAJTRRPJEQ-UHFFFAOYSA-N	-1	0	266.198	0.981	20	30		CCEDRM
C=CCn1cc(CNC(=O)[C@@H]2C[C@]2(C(=O)[O-])C(C)C)nn1	ZINC000899789872	613435189	/nfs/dbraw/zinc/43/51/89/613435189.db2.gz	YTEYJIRCIJBUEY-FZMZJTMJSA-N	-1	0	292.339	0.827	20	30		CCEDRM
C=CCn1nnn(CN2CC[C@](C)(C(=O)[O-])C2)c1=S	ZINC000825710764	613439513	/nfs/dbraw/zinc/43/95/13/613439513.db2.gz	ACJRTDBXDVBRFJ-NSHDSACASA-N	-1	0	283.357	0.749	20	30		CCEDRM
C=CCn1nnnc1SC[C@H]1CC(C(=O)[O-])=NO1	ZINC000833380888	613439935	/nfs/dbraw/zinc/43/99/35/613439935.db2.gz	RSCSJRVHCATPNP-ZCFIWIBFSA-N	-1	0	269.286	0.181	20	30		CCEDRM
C=CCn1nnn(CN2C[C@H](C)[C@H](C(=O)[O-])C2)c1=S	ZINC000825711071	613439995	/nfs/dbraw/zinc/43/99/95/613439995.db2.gz	NNPWROBPMCHDTO-DTWKUNHWSA-N	-1	0	283.357	0.605	20	30		CCEDRM
C=C[C@@H](C)O[N-]C(=O)C(=O)Nc1cncnc1N(C)C	ZINC000846154307	613443247	/nfs/dbraw/zinc/44/32/47/613443247.db2.gz	PQMMAJYMNUNUFQ-MRVPVSSYSA-N	-1	0	279.300	0.103	20	30		CCEDRM
C=C[C@@H](C)O[N-]C(=O)CSc1nnc(CCC)n1N	ZINC000846553081	613443504	/nfs/dbraw/zinc/44/35/04/613443504.db2.gz	XEVZRQPFXMEFQU-MRVPVSSYSA-N	-1	0	285.373	0.659	20	30		CCEDRM
C=C[C@@H](C)O[N-]C(=O)CN1CCCCS1(=O)=O	ZINC000880549384	613443522	/nfs/dbraw/zinc/44/35/22/613443522.db2.gz	WPOAILYOBASSEW-SECBINFHSA-N	-1	0	262.331	0.034	20	30		CCEDRM
C=C[C@@H](C)O[N-]C(=O)CN1CCCCC(=O)C1=O	ZINC000869154218	613443616	/nfs/dbraw/zinc/44/36/16/613443616.db2.gz	OPKGLBWSTGVDAV-SECBINFHSA-N	-1	0	254.286	0.190	20	30		CCEDRM
C=C[C@@H](C)O[N-]C(=O)Cn1ccc(C(=O)OC)n1	ZINC000880549082	613443963	/nfs/dbraw/zinc/44/39/63/613443963.db2.gz	MRDJUCJENGIVHJ-MRVPVSSYSA-N	-1	0	253.258	0.292	20	30		CCEDRM
C=C[C@@H](CCC(=O)[O-])NS(=O)(=O)CC[C@H]1CCOC1	ZINC000871741567	613449172	/nfs/dbraw/zinc/44/91/72/613449172.db2.gz	BLMAOZTVLLEENQ-MNOVXSKESA-N	-1	0	291.369	0.752	20	30		CCEDRM
C=C[C@@H](O)C(=O)N(C)[C@H](C(=O)[O-])c1cccc(OC)c1	ZINC000910775707	613449453	/nfs/dbraw/zinc/44/94/53/613449453.db2.gz	WROKEWOPDZOWIQ-NEPJUHHUSA-N	-1	0	279.292	0.826	20	30		CCEDRM
C=C[C@@H](O)C(=O)N1CCC[C@@H](C(C)(C)C(=O)[O-])C1	ZINC000909494938	613449783	/nfs/dbraw/zinc/44/97/83/613449783.db2.gz	IPHIJNVLAYHAJC-NXEZZACHSA-N	-1	0	255.314	0.883	20	30		CCEDRM
C=CC1(S(=O)(=O)[N-]C(=O)CSCC#N)CC1	ZINC000870830703	613450850	/nfs/dbraw/zinc/45/08/50/613450850.db2.gz	CEFYACNUROQFFM-UHFFFAOYSA-N	-1	0	260.340	0.408	20	30		CCEDRM
C=CC1(S(=O)(=O)[N-]C(=O)[C@@]2(COC)CCOC2)CC1	ZINC000870837610	613451634	/nfs/dbraw/zinc/45/16/34/613451634.db2.gz	RUVYFRYPSLTXTM-LLVKDONJSA-N	-1	0	289.353	0.204	20	30		CCEDRM
C=CC1(S(=O)(=O)[N-]C(=O)[C@H]2CCCOCC2)CC1	ZINC000870836700	613451676	/nfs/dbraw/zinc/45/16/76/613451676.db2.gz	LZWAGJQDYABSLF-JTQLQIEISA-N	-1	0	273.354	0.968	20	30		CCEDRM
C=CC1(S(=O)(=O)[N-]C(=O)c2cc(Cl)n(C)n2)CC1	ZINC000870837525	613451928	/nfs/dbraw/zinc/45/19/28/613451928.db2.gz	PIOCMXXLCXHVMO-UHFFFAOYSA-N	-1	0	289.744	0.852	20	30		CCEDRM
C=C[C@@H](O)C(=O)N[C@H](CC(=O)[O-])c1ccncc1	ZINC000911663203	613452657	/nfs/dbraw/zinc/45/26/57/613452657.db2.gz	NFAZJOWWMVPWIB-NXEZZACHSA-N	-1	0	250.254	0.261	20	30		CCEDRM
C=C[C@@H](O)C(=O)N[C@H](CC(=O)[O-])Cc1ccccc1	ZINC000908241907	613452686	/nfs/dbraw/zinc/45/26/86/613452686.db2.gz	ZXKPESZBWBDXDD-NWDGAFQWSA-N	-1	0	263.293	0.736	20	30		CCEDRM
C=C[C@@H](O)C(=O)OCC([O-])=C(C#N)c1nc(C)cs1	ZINC000814549875	613453911	/nfs/dbraw/zinc/45/39/11/613453911.db2.gz	NVBAXJGDYYKIFZ-RKDXNWHRSA-N	-1	0	280.305	0.718	20	30		CCEDRM
C=CCC(F)(F)C(=O)[N-]S(=O)(=O)C[C@@H](C)OC	ZINC000816049615	613454877	/nfs/dbraw/zinc/45/48/77/613454877.db2.gz	OMXOFLSZRSSASY-SSDOTTSWSA-N	-1	0	271.285	0.679	20	30		CCEDRM
C=CCC(F)(F)C(=O)[N-]N1C(=O)[C@@H](C)N(C)C1=O	ZINC000899037567	613455240	/nfs/dbraw/zinc/45/52/40/613455240.db2.gz	FFRYYMCEKFAPHD-ZCFIWIBFSA-N	-1	0	261.228	0.512	20	30		CCEDRM
C=CCC1(C(=O)[N-]S(=O)(=O)CCC#N)CCOCC1	ZINC000821047067	613456580	/nfs/dbraw/zinc/45/65/80/613456580.db2.gz	JFCRYQNPOYPXPH-UHFFFAOYSA-N	-1	0	286.353	0.719	20	30		CCEDRM
C=CCC1(C(=O)[O-])CN(S(=O)(=O)[C@H]2CCO[C@H]2C)C1	ZINC000906006894	613456975	/nfs/dbraw/zinc/45/69/75/613456975.db2.gz	LWUSURAGRDUSNM-UWVGGRQHSA-N	-1	0	289.353	0.456	20	30		CCEDRM
C=CCC1(S(=O)(=O)[N-]C(=O)C2(COC)CC2)CC1	ZINC000810988424	613460674	/nfs/dbraw/zinc/46/06/74/613460674.db2.gz	ITEXYGMFWGTLOL-UHFFFAOYSA-N	-1	0	273.354	0.968	20	30		CCEDRM
C=CCC1(S(=O)(=O)[N-]C(=O)C2(CC)COC2)CC1	ZINC000810983667	613460816	/nfs/dbraw/zinc/46/08/16/613460816.db2.gz	WXROHQOQLLMVLC-UHFFFAOYSA-N	-1	0	273.354	0.968	20	30		CCEDRM
C=CCCC(=O)O[C@@H](C)c1cn(CC(=O)[O-])nn1	ZINC000825664840	613463033	/nfs/dbraw/zinc/46/30/33/613463033.db2.gz	NKRBQIXYIMJHIQ-QMMMGPOBSA-N	-1	0	253.258	0.933	20	30		CCEDRM
C=CCCCC(=O)[N-]S(=O)(=O)c1cnn2c1OCCC2	ZINC000816204285	613464917	/nfs/dbraw/zinc/46/49/17/613464917.db2.gz	ZLJYIXNNZDEKDF-UHFFFAOYSA-N	-1	0	299.352	0.827	20	30		CCEDRM
C=CCCCNC(=O)N[C@@](C)(Cn1cccn1)C(=O)[O-]	ZINC000900291009	613468203	/nfs/dbraw/zinc/46/82/03/613468203.db2.gz	LIIAJQWYRVLVHA-ZDUSSCGKSA-N	-1	0	280.328	0.992	20	30		CCEDRM
C=CCCC[C@@H](NC(=O)c1cn(C)cn1)C(=O)[O-]	ZINC000910921723	613471550	/nfs/dbraw/zinc/47/15/50/613471550.db2.gz	DXNFIJHUMOYRNP-SECBINFHSA-N	-1	0	251.286	0.959	20	30		CCEDRM
C=CCCC[C@@H]1NC(=O)N(CC(=O)[N-]OCC)C1=O	ZINC000924968503	613471956	/nfs/dbraw/zinc/47/19/56/613471956.db2.gz	ZJRRAAASTVXPLM-VIFPVBQESA-N	-1	0	269.301	0.331	20	30		CCEDRM
C=CCCC[C@H](NC(=O)NOCCOC)C(=O)[O-]	ZINC000909251717	613473152	/nfs/dbraw/zinc/47/31/52/613473152.db2.gz	LRPJVFHMHRASOG-VIFPVBQESA-N	-1	0	260.290	0.673	20	30		CCEDRM
C=CCCC[C@H](NC(=O)c1cn(C)nc1OC)C(=O)[O-]	ZINC000910923859	613474386	/nfs/dbraw/zinc/47/43/86/613474386.db2.gz	WHPUIUHATCZLBG-JTQLQIEISA-N	-1	0	281.312	0.968	20	30		CCEDRM
C=CCCN1C(=O)N[C@]2(CCN(C(=O)[O-])C2)C1=O	ZINC000823496197	613476753	/nfs/dbraw/zinc/47/67/53/613476753.db2.gz	FQWKBEALDIHTPX-NSHDSACASA-N	-1	0	253.258	0.237	20	30		CCEDRM
C=C[C@H](C)O[N-]C(=O)C(=O)Nc1cc(CC)n(C)n1	ZINC000846156791	613483734	/nfs/dbraw/zinc/48/37/34/613483734.db2.gz	OUGMUKCKEFDCGL-QMMMGPOBSA-N	-1	0	266.301	0.543	20	30		CCEDRM
C=C[C@H](O)C(=O)NCCc1nc(C(=O)[O-])cs1	ZINC000909795622	613495842	/nfs/dbraw/zinc/49/58/42/613495842.db2.gz	GTYLFQOZOHCQPR-ZETCQYMHSA-N	-1	0	256.283	0.047	20	30		CCEDRM
C=C[C@](C)(O)C(=O)N1CC[C@@](C(=O)[O-])(C(C)C)C1	ZINC000909699356	613506515	/nfs/dbraw/zinc/50/65/15/613506515.db2.gz	GJOTWPPIGYYDBT-STQMWFEESA-N	-1	0	255.314	0.883	20	30		CCEDRM
CC(=O)N1CC[C@H](NC(=O)[C@@](C)(C#N)CC(=O)[O-])[C@@H](C)C1	ZINC000819732035	613540490	/nfs/dbraw/zinc/54/04/90/613540490.db2.gz	SWELOSKVVKMOAP-NURSFMCSSA-N	-1	0	295.339	0.364	20	30		CCEDRM
C=CCCNC(=O)N1CCC[C@H](c2n[nH]c(=O)[n-]2)C1	ZINC000923222645	613568708	/nfs/dbraw/zinc/56/87/08/613568708.db2.gz	NLHURMXZBOZFHE-VIFPVBQESA-N	-1	0	265.317	0.975	20	30		CCEDRM
C=CCCOCC(=O)N1Cc2cc(C(=O)[O-])nn2C[C@@H]1C	ZINC000908432326	613572092	/nfs/dbraw/zinc/57/20/92/613572092.db2.gz	QUIRYDWRJLUZNH-JTQLQIEISA-N	-1	0	293.323	0.905	20	30		CCEDRM
C=CCCOCC(=O)[N-]S(=O)(=O)c1c(C)cnn1C	ZINC000813986723	613573039	/nfs/dbraw/zinc/57/30/39/613573039.db2.gz	HMIFJOZHPQZDPA-UHFFFAOYSA-N	-1	0	287.341	0.126	20	30		CCEDRM
C=CCCO[N-]C(=O)[C@@H](C(C)C)N1CCCS1(=O)=O	ZINC000856034492	613576613	/nfs/dbraw/zinc/57/66/13/613576613.db2.gz	NYFHLAZQZUUGIC-LLVKDONJSA-N	-1	0	290.385	0.670	20	30		CCEDRM
C=CCCO[N-]C(=O)[C@](C)(O)Cn1c(C)cccc1=O	ZINC000856034895	613577270	/nfs/dbraw/zinc/57/72/70/613577270.db2.gz	NSQFMSFOCDIMFN-CQSZACIVSA-N	-1	0	280.324	0.532	20	30		CCEDRM
C=CCCO[C@@H](C)C(=O)N1CCN(C(=O)[O-])C[C@H]1C#N	ZINC000823496525	613577592	/nfs/dbraw/zinc/57/75/92/613577592.db2.gz	KRITYVTWEZTWGS-WDEREUQCSA-N	-1	0	281.312	0.682	20	30		CCEDRM
C=CCCO[C@H](C)C(=O)N1CCC([C@@H](O)C(=O)[O-])CC1	ZINC000833373888	613579016	/nfs/dbraw/zinc/57/90/16/613579016.db2.gz	HYMYVARJQQOBSJ-ZYHUDNBSSA-N	-1	0	285.340	0.652	20	30		CCEDRM
C=CCCO[C@H](C)C(=O)N1CCO[C@@](C)(C(=O)[O-])C1	ZINC000910321140	613579098	/nfs/dbraw/zinc/57/90/98/613579098.db2.gz	IZYHMYQLSIWCHY-ZWNOBZJWSA-N	-1	0	271.313	0.670	20	30		CCEDRM
C=CCCS(=O)(=O)N1CCN(C(=O)[O-])C[C@H]1C#N	ZINC000823501490	613580614	/nfs/dbraw/zinc/58/06/14/613580614.db2.gz	YAWAUCLZYXQHOP-SECBINFHSA-N	-1	0	273.314	0.080	20	30		CCEDRM
C=CCCS(=O)(=O)N1CC[C@@H](OC)C[C@H]1C(=O)[O-]	ZINC000833375062	613580787	/nfs/dbraw/zinc/58/07/87/613580787.db2.gz	UQWZCDDWARXTFZ-ZJUUUORDSA-N	-1	0	277.342	0.456	20	30		CCEDRM
C=CCC[C@H](NC(=O)[C@@H]1CN(CC)CCO1)C(=O)[O-]	ZINC000909714500	613590005	/nfs/dbraw/zinc/59/00/05/613590005.db2.gz	YAYSMQAEYRSKJM-QWRGUYRKSA-N	-1	0	270.329	0.243	20	30		CCEDRM
CC(=O)N1CSC[C@@H]1C(=O)[N-]Oc1cccc(C#N)c1	ZINC000870693009	613591168	/nfs/dbraw/zinc/59/11/68/613591168.db2.gz	VJQXFXMFAYESNO-GFCCVEGCSA-N	-1	0	291.332	0.890	20	30		CCEDRM
C=CCCn1cc(C(=O)[N-]S(=O)(=O)C(C)C)nn1	ZINC000819966461	613594822	/nfs/dbraw/zinc/59/48/22/613594822.db2.gz	VKGHOMDQQFQNDQ-UHFFFAOYSA-N	-1	0	272.330	0.322	20	30		CCEDRM
C=CCCn1cc(C([O-])=C(C#N)C(=O)NC(C)C)nn1	ZINC000819943891	613597869	/nfs/dbraw/zinc/59/78/69/613597869.db2.gz	VOFZUKDTKZHRSE-JTQLQIEISA-N	-1	0	275.312	0.701	20	30		CCEDRM
C=CCN(CC(=O)[O-])C(=O)COCc1ccc(OC)nc1	ZINC000909516580	613642091	/nfs/dbraw/zinc/64/20/91/613642091.db2.gz	IPBPIGGPMBGFLA-UHFFFAOYSA-N	-1	0	294.307	0.706	20	30		CCEDRM
C=CCN(CC(=O)[O-])C(=O)N[C@@H]1CCc2c[nH]nc2C1	ZINC000908994565	613642368	/nfs/dbraw/zinc/64/23/68/613642368.db2.gz	SLNHYCNNDPFWBH-SNVBAGLBSA-N	-1	0	278.312	0.549	20	30		CCEDRM
C=CCN(CC(=O)[O-])C(=O)[C@H](C)Oc1cccnc1	ZINC000909515198	613643199	/nfs/dbraw/zinc/64/31/99/613643199.db2.gz	REUUUANQQAYNHF-JTQLQIEISA-N	-1	0	264.281	0.948	20	30		CCEDRM
CC#CCS(=O)(=O)[N-]C(=O)CSC(F)F	ZINC000835372508	613645780	/nfs/dbraw/zinc/64/57/80/613645780.db2.gz	VDLLUTSCYXOUHA-UHFFFAOYSA-N	-1	0	257.283	0.412	20	30		CCEDRM
CC#CCS(=O)(=O)[N-]C(=O)CCC(=O)OC(C)(C)C	ZINC000810775486	613645861	/nfs/dbraw/zinc/64/58/61/613645861.db2.gz	IDECFSVAGCOCLR-UHFFFAOYSA-N	-1	0	289.353	0.578	20	30		CCEDRM
CC#CCS(=O)(=O)[N-]C(=O)COCc1cccc(C)c1	ZINC000857022830	613645899	/nfs/dbraw/zinc/64/58/99/613645899.db2.gz	JBFMKJGDAAVBTJ-UHFFFAOYSA-N	-1	0	295.360	0.981	20	30		CCEDRM
CC#CCS(=O)(=O)[N-]C(=O)CCCc1nc(CC)no1	ZINC000810774221	613645907	/nfs/dbraw/zinc/64/59/07/613645907.db2.gz	FPUMWUNDSIZGOL-UHFFFAOYSA-N	-1	0	299.352	0.424	20	30		CCEDRM
CC#CCS(=O)(=O)[N-]C(=O)CCCC(=O)C1CC1	ZINC000835371416	613645916	/nfs/dbraw/zinc/64/59/16/613645916.db2.gz	HWJQSFPWLHIMTN-UHFFFAOYSA-N	-1	0	271.338	0.605	20	30		CCEDRM
CC#CCS(=O)(=O)[N-]C(=O)CC[C@@H]1CC[C@H](C)O1	ZINC000810774323	613645930	/nfs/dbraw/zinc/64/59/30/613645930.db2.gz	XCTMCYHFTOZBSX-QWRGUYRKSA-N	-1	0	273.354	0.803	20	30		CCEDRM
CC#CCS(=O)(=O)[N-]C(=O)[C@@H]1[C@H](C)O[C@H](C)[C@H]1C	ZINC000860721042	613646655	/nfs/dbraw/zinc/64/66/55/613646655.db2.gz	VWVHDHHDMYBERZ-ZNSHCXBVSA-N	-1	0	273.354	0.515	20	30		CCEDRM
C=CCN(CC=C)C(=O)CN[C@]1(C(=O)[O-])CCOC1	ZINC000833375013	613646912	/nfs/dbraw/zinc/64/69/12/613646912.db2.gz	DNULCZMPKWRFNI-CYBMUJFWSA-N	-1	0	268.313	0.020	20	30		CCEDRM
C=CCN(CC=C)C(=O)CN1CC[C@H](OC)C[C@@H]1C(=O)[O-]	ZINC000833375417	613647322	/nfs/dbraw/zinc/64/73/22/613647322.db2.gz	WKGHBGTZCRDOBP-QWHCGFSZSA-N	-1	0	296.367	0.751	20	30		CCEDRM
CC#CCS(=O)(=O)[N-]C(=O)c1c(C)nn(CCC)c1C	ZINC000810774171	613647644	/nfs/dbraw/zinc/64/76/44/613647644.db2.gz	UFVHNSLSCOOHNF-UHFFFAOYSA-N	-1	0	297.380	0.993	20	30		CCEDRM
CC#CCS(=O)(=O)[N-]C(=O)c1ccc2c(c1)nnn2C	ZINC000791111558	613647834	/nfs/dbraw/zinc/64/78/34/613647834.db2.gz	UHRKXWSQQQHHCD-UHFFFAOYSA-N	-1	0	292.320	0.051	20	30		CCEDRM
CC#CCS(=O)(=O)[N-]C(=O)c1cnn(CCC)c1	ZINC000798202376	613648061	/nfs/dbraw/zinc/64/80/61/613648061.db2.gz	AYRWVNDCXMEORI-UHFFFAOYSA-N	-1	0	269.326	0.376	20	30		CCEDRM
C=CCN(CC=C)C(=O)Cn1cnc(-c2nnn[n-]2)c1C#N	ZINC000823903951	613648116	/nfs/dbraw/zinc/64/81/16/613648116.db2.gz	OPJRXNRSNYTVKD-UHFFFAOYSA-N	-1	0	298.310	0.135	20	30		CCEDRM
C=CCN(CC=C)C(=O)[C@@H](C)N1CCO[C@H](CC(=O)[O-])C1	ZINC000825682424	613648210	/nfs/dbraw/zinc/64/82/10/613648210.db2.gz	ZSSNUQYPSWOEFN-CHWSQXEVSA-N	-1	0	296.367	0.751	20	30		CCEDRM
C=CCN(CC=C)C(=O)[C@@H]1CN(C(=O)[O-])CCO1	ZINC000823500263	613648536	/nfs/dbraw/zinc/64/85/36/613648536.db2.gz	DLUCBIFYICZRDG-JTQLQIEISA-N	-1	0	254.286	0.566	20	30		CCEDRM
CC(=NNCC(=O)[O-])c1ccc2c(c1)CCC(=O)N2	ZINC000814958950	613654560	/nfs/dbraw/zinc/65/45/60/613654560.db2.gz	BOPQIESVRLKPAP-UHFFFAOYSA-N	-1	0	261.281	0.970	20	30		CCEDRM
CC(N=Nc1ccccn1)c1cn(CC(=O)[O-])nn1	ZINC000825809303	613657160	/nfs/dbraw/zinc/65/71/60/613657160.db2.gz	SLCRKRKFDVSNRE-UHFFFAOYSA-N	-1	0	260.257	0.594	20	30		CCEDRM
CC(=O)CCC(=O)[N-]S(=O)(=O)CC(C)(C)C#N	ZINC000800404043	613668693	/nfs/dbraw/zinc/66/86/93/613668693.db2.gz	TZSRRUZNTKZUSA-UHFFFAOYSA-N	-1	0	260.315	0.351	20	30		CCEDRM
CC(=O)N(C)CC(=O)O[C@H](C(=O)[O-])c1cccc(C#N)c1	ZINC000825819756	613702206	/nfs/dbraw/zinc/70/22/06/613702206.db2.gz	XGYDAWLLCUJMMI-ZDUSSCGKSA-N	-1	0	290.275	0.705	20	30		CCEDRM
C=CCNC(=O)COC(=O)[C@H]1CCC[C@@H](NC(=O)[O-])C1	ZINC000823507125	613848312	/nfs/dbraw/zinc/84/83/12/613848312.db2.gz	SQCALTIZWYNQEW-VHSXEESVSA-N	-1	0	284.312	0.658	20	30		CCEDRM
C=CCNC(=O)COC(=O)c1ccc(CNC(=O)[O-])o1	ZINC000823506566	613848649	/nfs/dbraw/zinc/84/86/49/613848649.db2.gz	JISZZCYFTFWYBH-UHFFFAOYSA-N	-1	0	282.252	0.506	20	30		CCEDRM
C=CCNC(=O)NC(=O)C[NH2+][C@H](C(=O)[O-])C(C)(C)C	ZINC000825687249	613850247	/nfs/dbraw/zinc/85/02/47/613850247.db2.gz	HATPYHVIRNNFIA-SECBINFHSA-N	-1	0	271.317	0.087	20	30		CCEDRM
C=CCNC(=O)[C@@H](C#N)C(=O)[C@@H](C)CN(C)C(=O)[O-]	ZINC000823507246	613852581	/nfs/dbraw/zinc/85/25/81/613852581.db2.gz	UNOYQAXSTKVTAW-IUCAKERBSA-N	-1	0	267.285	0.243	20	30		CCEDRM
C=CCNC(=O)[C@H](C)OC(=O)[C@@H](CC(C)C)NC(=O)[O-]	ZINC000825687143	613855665	/nfs/dbraw/zinc/85/56/65/613855665.db2.gz	CKLIFRHCULCFBJ-VHSXEESVSA-N	-1	0	286.328	0.903	20	30		CCEDRM
C=CCNC(=O)[C@H](C)OC(=O)[C@@]1(F)CCN(C(=O)[O-])C1	ZINC000823506276	613855702	/nfs/dbraw/zinc/85/57/02/613855702.db2.gz	FNSYXCOCIIHVJO-QPUJVOFHSA-N	-1	0	288.275	0.312	20	30		CCEDRM
C=CCNC(=O)[C@H](C)OC(=O)c1cncc(C(=O)[O-])c1	ZINC000833377435	613856050	/nfs/dbraw/zinc/85/60/50/613856050.db2.gz	WVHOWOGFCAPPJM-QMMMGPOBSA-N	-1	0	278.264	0.627	20	30		CCEDRM
C=CCNC(=S)N1CCC([C@@H](O)C(=O)[O-])CC1	ZINC000833376697	613856392	/nfs/dbraw/zinc/85/63/92/613856392.db2.gz	PCFUTIUZUKGHCO-SECBINFHSA-N	-1	0	258.343	0.204	20	30		CCEDRM
C=CCOCC(=O)N1CCSC[C@H](C(=O)[O-])C1	ZINC000910147153	613879246	/nfs/dbraw/zinc/87/92/46/613879246.db2.gz	PSPKFVVLFBHQOW-SECBINFHSA-N	-1	0	259.327	0.465	20	30		CCEDRM
C=CCOCC(=O)N1C[C@@H]2CCC[C@@H]2[C@@H]1C(=O)[O-]	ZINC000909675225	613879322	/nfs/dbraw/zinc/87/93/22/613879322.db2.gz	FALWJOKRFFRUSL-JBLDHEPKSA-N	-1	0	253.298	0.901	20	30		CCEDRM
C=CCOCC(=O)N[C@H](C(=O)[O-])[C@H]1CCCOC1	ZINC000909547428	613879549	/nfs/dbraw/zinc/87/95/49/613879549.db2.gz	XMQZFYCLQIGWCF-ONGXEEELSA-N	-1	0	257.286	0.185	20	30		CCEDRM
C=CCOCCCNS(=O)(=O)N=S(C)(C)=O	ZINC000867515057	613880364	/nfs/dbraw/zinc/88/03/64/613880364.db2.gz	HKBSUZLYRRRTHE-UHFFFAOYSA-N	-1	0	270.376	0.141	20	30		CCEDRM
C=CCOCCNC(=O)[C@H]1CO[C@H](CCC(=O)[O-])C1	ZINC000902077211	613881068	/nfs/dbraw/zinc/88/10/68/613881068.db2.gz	MOSWCEJBJFWCAG-GHMZBOCLSA-N	-1	0	271.313	0.575	20	30		CCEDRM
C=CCOC[C@@H](NC(=O)Cc1cnn(CC)c1)C(=O)[O-]	ZINC000909767970	613881637	/nfs/dbraw/zinc/88/16/37/613881637.db2.gz	SPYCVXSMHXQWQX-LLVKDONJSA-N	-1	0	281.312	0.218	20	30		CCEDRM
C=CCOC[C@@H](NC(=O)C[C@@H](C)n1cccn1)C(=O)[O-]	ZINC000909765250	613881700	/nfs/dbraw/zinc/88/17/00/613881700.db2.gz	AXFKNQCGUSMTFR-GHMZBOCLSA-N	-1	0	281.312	0.606	20	30		CCEDRM
C=CCOC[C@@H](NC(=O)c1ncccc1N(C)C)C(=O)[O-]	ZINC000909772809	613881896	/nfs/dbraw/zinc/88/18/96/613881896.db2.gz	VWGNYARDUYBKOT-SNVBAGLBSA-N	-1	0	293.323	0.533	20	30		CCEDRM
C=CCOC[C@@H](NC(=O)c1[nH]ccc1C)C(=O)[O-]	ZINC000909772992	613881900	/nfs/dbraw/zinc/88/19/00/613881900.db2.gz	ZTLMWICEJAFOMU-SECBINFHSA-N	-1	0	252.270	0.709	20	30		CCEDRM
C=CCOC[C@H](NC(=O)CCCn1cccn1)C(=O)[O-]	ZINC000909769650	613882374	/nfs/dbraw/zinc/88/23/74/613882374.db2.gz	FEHYPPLKQABOBI-NSHDSACASA-N	-1	0	281.312	0.435	20	30		CCEDRM
C=CCOC[C@H](NC(=O)N[C@H]1CSC[C@@H]1C)C(=O)[O-]	ZINC000929036143	613882416	/nfs/dbraw/zinc/88/24/16/613882416.db2.gz	CUZQICGXVGYLPA-GUBZILKMSA-N	-1	0	288.369	0.693	20	30		CCEDRM
C=CCOC[C@H](NC(=O)[C@H]1CCCC[C@H]1OC)C(=O)[O-]	ZINC000909772873	613882550	/nfs/dbraw/zinc/88/25/50/613882550.db2.gz	XKSGBXPKXIGMAM-SDDRHHMPSA-N	-1	0	285.340	0.964	20	30		CCEDRM
C=CCO[N-]C(=O)[C@H](C(C)C)N1CCCS1(=O)=O	ZINC000837048737	613884413	/nfs/dbraw/zinc/88/44/13/613884413.db2.gz	XTFXYUDLMQLFMN-JTQLQIEISA-N	-1	0	276.358	0.280	20	30		CCEDRM
C=CCO[N-]C(=O)[C@@]1(c2ccccc2)CNC(=O)C1	ZINC000854852457	613884456	/nfs/dbraw/zinc/88/44/56/613884456.db2.gz	OAKOZSXNUVVRCV-CQSZACIVSA-N	-1	0	260.293	0.678	20	30		CCEDRM
C=CCS(=O)(=O)[N-]C(=O)Cc1cccc(C(=O)OC)c1	ZINC000810644320	613886106	/nfs/dbraw/zinc/88/61/06/613886106.db2.gz	XVKFEBXGHUEEDS-UHFFFAOYSA-N	-1	0	297.332	0.648	20	30		CCEDRM
C=CCS(=O)(=O)[N-]C(=O)[C@H]1CCc2ncncc2C1	ZINC000842746200	613886200	/nfs/dbraw/zinc/88/62/00/613886200.db2.gz	CKNYOPTZECZZMG-VIFPVBQESA-N	-1	0	281.337	0.214	20	30		CCEDRM
C=CCS(=O)(=O)[N-]C(=O)c1c(Cl)cnn1C	ZINC000850912516	613886309	/nfs/dbraw/zinc/88/63/09/613886309.db2.gz	CROOXZAUIRBAIO-UHFFFAOYSA-N	-1	0	263.706	0.319	20	30		CCEDRM
C=CCS(=O)(=O)[N-]C(=O)c1c(C)cc(C)[nH]c1=O	ZINC000755758873	613886337	/nfs/dbraw/zinc/88/63/37/613886337.db2.gz	MDPYNQLBLPQFPG-UHFFFAOYSA-N	-1	0	270.310	0.650	20	30		CCEDRM
CC(C)(C)C[C@H](O)CC(=O)N[C@@H]1CCCN(O)C1=O	ZINC000848133087	613921560	/nfs/dbraw/zinc/92/15/60/613921560.db2.gz	SCBODPAFCPHCFQ-NXEZZACHSA-N	-1	0	272.345	0.670	20	30		CCEDRM
CC(C)NC(=O)C(C#N)=C([O-])c1ccc(C(N)=O)s1	ZINC000728147988	613933608	/nfs/dbraw/zinc/93/36/08/613933608.db2.gz	RBZVSKKRMFGSNC-SSDOTTSWSA-N	-1	0	279.321	0.694	20	30		CCEDRM
CC(C)(C)OC(=O)CNC(=O)[C@@](C)(C#N)CC(=O)[O-]	ZINC000819915073	613966994	/nfs/dbraw/zinc/96/69/94/613966994.db2.gz	SYYXIRHJIAXMSC-GFCCVEGCSA-N	-1	0	270.285	0.449	20	30		CCEDRM
CC(C)(C)OC(=O)COC(=O)[C@](C)(C#N)CC(=O)[O-]	ZINC000819914637	613967566	/nfs/dbraw/zinc/96/75/66/613967566.db2.gz	ABQUBAIFFPKQQA-LBPRGKRZSA-N	-1	0	271.269	0.876	20	30		CCEDRM
CC(=O)Nc1c(C)[n-]n(-c2ccc(C#N)cn2)c1=O	ZINC000887295151	613969670	/nfs/dbraw/zinc/96/96/70/613969670.db2.gz	YNGGOJMTHHMOKK-NSHDSACASA-N	-1	0	257.253	0.180	20	30		CCEDRM
CC(C)OC(=O)CNC(=O)[C@](C)(C#N)CC(=O)[O-]	ZINC000820029813	613991142	/nfs/dbraw/zinc/99/11/42/613991142.db2.gz	OTFNDLNBUVMZMB-NSHDSACASA-N	-1	0	256.258	0.059	20	30		CCEDRM
CC(C)[C@@H](NC(=O)[O-])C(=O)OC1CCN(CC#N)CC1	ZINC000824144281	614125504	/nfs/dbraw/zinc/12/55/04/614125504.db2.gz	VDMALBLDHWDNFD-LLVKDONJSA-N	-1	0	283.328	0.810	20	30		CCEDRM
CC(C)(NC(=O)[O-])c1noc(CN2CCOC[C@H]2C#N)n1	ZINC000824029793	614167600	/nfs/dbraw/zinc/16/76/00/614167600.db2.gz	OEQNBYDHEVWPGV-MRVPVSSYSA-N	-1	0	295.299	0.297	20	30		CCEDRM
CC(C)(C#N)CC(=O)[N-]S(=O)(=O)c1cncc(C#N)c1	ZINC000813983858	614285174	/nfs/dbraw/zinc/28/51/74/614285174.db2.gz	JLTLIPVFQAPEFD-UHFFFAOYSA-N	-1	0	292.320	0.698	20	30		CCEDRM
CC(C)N(CCCNC(=O)Cn1cnc(C#N)n1)C(=O)[O-]	ZINC000824341197	614292058	/nfs/dbraw/zinc/29/20/58/614292058.db2.gz	FXKNPWBBMQWYJK-UHFFFAOYSA-N	-1	0	294.315	0.044	20	30		CCEDRM
CCC(C#N)(CC)C(=O)N1CCO[C@H](c2nnn[n-]2)C1	ZINC000859278277	614470486	/nfs/dbraw/zinc/47/04/86/614470486.db2.gz	OGYJGSAFGQRHIR-VIFPVBQESA-N	-1	0	278.316	0.430	20	30		CCEDRM
CCC(C#N)(CC)C(=O)[N-]S(=O)(=O)[C@H](C)COC	ZINC000860548152	614470944	/nfs/dbraw/zinc/47/09/44/614470944.db2.gz	YQRKZSXCTSQZGO-SECBINFHSA-N	-1	0	276.358	0.797	20	30		CCEDRM
CCCC[C@H](CNC(=O)[O-])NC(=O)N1CCO[C@@H](C#N)C1	ZINC000826796791	614484430	/nfs/dbraw/zinc/48/44/30/614484430.db2.gz	XVDJDJWUUDXEEO-MNOVXSKESA-N	-1	0	298.343	0.747	20	30		CCEDRM
CCCn1nccc1C=NNc1nnc(C)c(=O)[n-]1	ZINC000853269881	614551847	/nfs/dbraw/zinc/55/18/47/614551847.db2.gz	ALCLBILZMAPVEL-UHFFFAOYSA-N	-1	0	261.289	0.938	20	30		CCEDRM
C[C@](C#N)(CC(=O)[O-])C(=O)N[C@H]1CC(C)(C)OC1=O	ZINC000820205813	614776675	/nfs/dbraw/zinc/77/66/75/614776675.db2.gz	ABDBVMBTYQRZFO-JVXZTZIISA-N	-1	0	268.269	0.201	20	30		CCEDRM
CCN(C(=O)c1n[nH]c(C)c1[O-])C1CN(CC#N)C1	ZINC000949899633	614788111	/nfs/dbraw/zinc/78/81/11/614788111.db2.gz	AGJSJNQYLPUPOE-UHFFFAOYSA-N	-1	0	263.301	0.094	20	30		CCEDRM
CCCCCCC(=O)Cn1c(=O)[n-]cc(C#N)c1=O	ZINC000842614853	614899738	/nfs/dbraw/zinc/89/97/38/614899738.db2.gz	LIZMOSCQBXUWHC-UHFFFAOYSA-N	-1	0	263.297	0.948	20	30		CCEDRM
CCCCCCCS(=O)(=O)N[C@@H](COC)C(=O)[O-]	ZINC000830085927	614903567	/nfs/dbraw/zinc/90/35/67/614903567.db2.gz	RMNMFTICFSKWRQ-JTQLQIEISA-N	-1	0	281.374	0.976	20	30		CCEDRM
CCCOCC(=O)[N-]S(=O)(=O)CC1(C#N)CC1	ZINC000793200391	614935845	/nfs/dbraw/zinc/93/58/45/614935845.db2.gz	AFGBFOOBUPPBGX-UHFFFAOYSA-N	-1	0	260.315	0.163	20	30		CCEDRM
CCCS(=O)(=O)[N-]C(=O)CC1(C#N)CCOCC1	ZINC000850851556	614965158	/nfs/dbraw/zinc/96/51/58/614965158.db2.gz	VIICCPBEWUJINT-UHFFFAOYSA-N	-1	0	274.342	0.553	20	30		CCEDRM
CCCS(=O)(=O)[N-]C(=O)c1cc(C#N)[nH]c1C	ZINC000835172459	614966817	/nfs/dbraw/zinc/96/68/17/614966817.db2.gz	PNBFSXGRJYJCOB-UHFFFAOYSA-N	-1	0	255.299	0.664	20	30		CCEDRM
CCN(CC)C(=O)[C@@H](C)OC(=O)[C@@](C)(C#N)CC(=O)[O-]	ZINC000820338715	614984235	/nfs/dbraw/zinc/98/42/35/614984235.db2.gz	PLLZPPJQEVQHML-NOZJJQNGSA-N	-1	0	284.312	0.791	20	30		CCEDRM
CCC[C@@H](NC(=O)[O-])C(=O)N1CCOC[C@@H]1C#N	ZINC000826752629	614991412	/nfs/dbraw/zinc/99/14/12/614991412.db2.gz	YFNPZOXQGLYEEW-DTWKUNHWSA-N	-1	0	255.274	0.174	20	30		CCEDRM
CCN(CCC#N)C(=O)C[NH2+][C@H](C(=O)[O-])C(C)(C)C	ZINC000829692130	615022564	/nfs/dbraw/zinc/02/25/64/615022564.db2.gz	AOISQFXORSGENY-LLVKDONJSA-N	-1	0	269.345	0.837	20	30		CCEDRM
CCN(C[C@H](C)C#N)c1ccc(-c2nn[nH]n2)nn1	ZINC000825399182	615065171	/nfs/dbraw/zinc/06/51/71/615065171.db2.gz	LXXIDUFMJASVAG-MRVPVSSYSA-N	-1	0	258.289	0.643	20	30		CCEDRM
CCOCCCC(=O)[N-]S(=O)(=O)c1cncc(C#N)c1	ZINC000813980665	615238557	/nfs/dbraw/zinc/23/85/57/615238557.db2.gz	FWEDFOHPNYUEOX-UHFFFAOYSA-N	-1	0	297.336	0.575	20	30		CCEDRM
CCOC(=O)[C@@H]1CCCN(C(=O)[C@](C)(C#N)CC(=O)[O-])C1	ZINC000820364592	615285473	/nfs/dbraw/zinc/28/54/73/615285473.db2.gz	OPRMUPTZHLCZRQ-YGRLFVJLSA-N	-1	0	296.323	0.793	20	30		CCEDRM
CCS(=O)(=O)[N-]C(=O)c1ncc(C#N)cc1C	ZINC000815946602	615340501	/nfs/dbraw/zinc/34/05/01/615340501.db2.gz	XYDSCXXBPUHVKK-UHFFFAOYSA-N	-1	0	253.283	0.341	20	30		CCEDRM
CCO[N-]C(=O)CNC(=O)C1(C#N)CCCCC1	ZINC000846498361	615356749	/nfs/dbraw/zinc/35/67/49/615356749.db2.gz	QQTUZHORGKHUSB-UHFFFAOYSA-N	-1	0	253.302	0.644	20	30		CCEDRM
CCO[N-]C(=O)CNC(=O)c1ccc(C)c(C#N)c1	ZINC000846490644	615371669	/nfs/dbraw/zinc/37/16/69/615371669.db2.gz	JKVBGSKUVMYIHC-UHFFFAOYSA-N	-1	0	261.281	0.664	20	30		CCEDRM
CC[C@@H](C)C(=O)[N-]S(=O)(=O)c1cncc(C#N)c1	ZINC000813982867	615431764	/nfs/dbraw/zinc/43/17/64/615431764.db2.gz	WMDATKHOBATLKQ-MRVPVSSYSA-N	-1	0	267.310	0.804	20	30		CCEDRM
CC[C@@H]1CN(C(=O)[C@@](C)(C#N)CC(=O)[O-])CCO1	ZINC000820297263	615560292	/nfs/dbraw/zinc/56/02/92/615560292.db2.gz	QYIKSIKHTRZOCC-BXKDBHETSA-N	-1	0	254.286	0.628	20	30		CCEDRM
CC[C@H](C#N)OC(=O)c1cc(S(=O)(=O)NC)oc1C	ZINC000122688105	615600181	/nfs/dbraw/zinc/60/01/81/615600181.db2.gz	YVUVQADPSNLQBV-MRVPVSSYSA-N	-1	0	286.309	0.955	20	30		CCEDRM
CC[C@H](C)[C@@H](NC(=O)CN(C)[C@H](C)CC#N)C(=O)[O-]	ZINC000828709749	615684459	/nfs/dbraw/zinc/68/44/59/615684459.db2.gz	SWEQIUMOSUCSTK-HOSYDEDBSA-N	-1	0	269.345	0.836	20	30		CCEDRM
CC[C@H](C)[C@](C)(O)CNC(=O)[C@@](C)(C#N)CC(=O)[O-]	ZINC000820266105	615702853	/nfs/dbraw/zinc/70/28/53/615702853.db2.gz	AGAIGLVSZTYLJI-ZWKOPEQDSA-N	-1	0	270.329	0.904	20	30		CCEDRM
CC[C@H](NN=C1CS(=O)(=O)Cc2ccccc21)C(=O)[O-]	ZINC000853348258	615819689	/nfs/dbraw/zinc/81/96/89/615819689.db2.gz	FCKAQDUNBKZILS-NSHDSACASA-N	-1	0	296.348	0.772	20	30		CCEDRM
CC[C@H](NN=Cc1cc(CO)ccc1O)C(=O)[O-]	ZINC000814936750	615819919	/nfs/dbraw/zinc/81/99/19/615819919.db2.gz	ICPFZAFGXVENKI-JTQLQIEISA-N	-1	0	252.270	0.671	20	30		CCEDRM
CCc1nocc1C(=O)[N-]S(=O)(=O)CC1(C#N)CCC1	ZINC000860672574	615858747	/nfs/dbraw/zinc/85/87/47/615858747.db2.gz	YCQVKPVCGJEUCZ-UHFFFAOYSA-N	-1	0	297.336	0.990	20	30		CCEDRM
CN(C(=O)c1cc(C#N)cn1C)[C@H]1CCN(C(=O)[O-])C1	ZINC000827928168	615894014	/nfs/dbraw/zinc/89/40/14/615894014.db2.gz	XYDKMHUHHDMILF-JTQLQIEISA-N	-1	0	276.296	0.721	20	30		CCEDRM
CCn1[n-]nnc1=NC(=O)N(C)Cc1cccc(C#N)c1	ZINC000888343688	615910173	/nfs/dbraw/zinc/91/01/73/615910173.db2.gz	SYSICMXBKHYIBF-UHFFFAOYSA-N	-1	0	285.311	0.650	20	30		CCEDRM
CN(CC#N)C(=O)CO[C@@H]1CCCN(C(=O)[O-])C1	ZINC000828085806	616039715	/nfs/dbraw/zinc/03/97/15/616039715.db2.gz	KQJUBEFLKDTDEH-SECBINFHSA-N	-1	0	255.274	0.127	20	30		CCEDRM
CN(CCc1cnccn1)C(=O)[C@](C)(C#N)CC(=O)[O-]	ZINC000820597553	616126759	/nfs/dbraw/zinc/12/67/59/616126759.db2.gz	XCGCIZIHSGEQFR-ZDUSSCGKSA-N	-1	0	276.296	0.482	20	30		CCEDRM
CN(Cc1ccc(NCC(=O)NCC#N)cc1)C(=O)[O-]	ZINC000830835786	616167250	/nfs/dbraw/zinc/16/72/50/616167250.db2.gz	LAXOKIJQTZOPTC-UHFFFAOYSA-N	-1	0	276.296	0.848	20	30		CCEDRM
COC(=O)c1occc1CN(CC#N)CC(=O)[O-]	ZINC000831471396	616281383	/nfs/dbraw/zinc/28/13/83/616281383.db2.gz	RNVJXQADEMHDCX-UHFFFAOYSA-N	-1	0	252.226	0.476	20	30		CCEDRM
COC1(C(=O)OCc2cc(=O)n3[n-]cc(C#N)c3n2)CC1	ZINC000830849991	616433721	/nfs/dbraw/zinc/43/37/21/616433721.db2.gz	XVQBKMWHMNRKEQ-UHFFFAOYSA-N	-1	0	288.263	0.529	20	30		CCEDRM
CN1C[C@H](O)C[C@@]1(C)C(=O)Nc1cc(C#N)ccc1[O-]	ZINC000901224865	616478842	/nfs/dbraw/zinc/47/88/42/616478842.db2.gz	DZBZKKMGAMSYFF-YGRLFVJLSA-N	-1	0	275.308	0.657	20	30		CCEDRM
COCCNC(=O)C(C#N)=C([O-])c1ccc(COC)o1	ZINC000916890972	616496495	/nfs/dbraw/zinc/49/64/95/616496495.db2.gz	NTPCSWMZQROFTB-SNVBAGLBSA-N	-1	0	280.280	0.511	20	30		CCEDRM
COC(=O)CCCN(C)C(=O)[C@@](C)(C#N)CC(=O)[O-]	ZINC000820660220	616529692	/nfs/dbraw/zinc/52/96/92/616529692.db2.gz	AZHKUSIVNBJNHQ-GFCCVEGCSA-N	-1	0	270.285	0.403	20	30		CCEDRM
COCC(=O)N(C)CC(=O)[N-]Oc1cccc(C#N)c1	ZINC000870691428	616533010	/nfs/dbraw/zinc/53/30/10/616533010.db2.gz	KUUUEOXZEJYCLF-UHFFFAOYSA-N	-1	0	277.280	0.073	20	30		CCEDRM
COC(=O)[C@H](C)[C@@H](C)S(=O)(=O)[N-]C(=O)[C@H](C)CC#N	ZINC000850958491	616587504	/nfs/dbraw/zinc/58/75/04/616587504.db2.gz	QZBQOLBQNVTULI-IWSPIJDZSA-N	-1	0	290.341	0.180	20	30		CCEDRM
COCCS(=O)(=O)[N-][C@H](CC#N)C(F)(F)F	ZINC000901773104	616612443	/nfs/dbraw/zinc/61/24/43/616612443.db2.gz	NLLRGEDDUDDCJS-ZCFIWIBFSA-N	-1	0	260.237	0.397	20	30		CCEDRM
COCC(COC)NN=Cc1c[nH]c(C(=O)[O-])c1	ZINC000863192133	616736882	/nfs/dbraw/zinc/73/68/82/616736882.db2.gz	GELZQTBLHVWVJX-UHFFFAOYSA-N	-1	0	255.274	0.298	20	30		CCEDRM
COCC1(C(=O)[N-]S(=O)(=O)c2cncc(C#N)c2)CC1	ZINC000813985175	616749839	/nfs/dbraw/zinc/74/98/39/616749839.db2.gz	PTODXQOHMFFOAQ-UHFFFAOYSA-N	-1	0	295.320	0.185	20	30		CCEDRM
COC[C@H]1CCCN(C(=O)[C@](C)(C#N)CC(=O)[O-])C1	ZINC000820715271	616766307	/nfs/dbraw/zinc/76/63/07/616766307.db2.gz	SFDGWGCVIZLYDH-GWCFXTLKSA-N	-1	0	268.313	0.876	20	30		CCEDRM
COC[C@@H](C#N)OC(=O)CN(C[C@@H]1CCCO1)C(=O)[O-]	ZINC000833882887	616773450	/nfs/dbraw/zinc/77/34/50/616773450.db2.gz	QHXKKTXROKFABJ-VHSXEESVSA-N	-1	0	286.284	0.227	20	30		CCEDRM
CNC(=O)C(C#N)=C([O-])c1nccnc1SC	ZINC000892518500	616778052	/nfs/dbraw/zinc/77/80/52/616778052.db2.gz	VCXWDJZNMZQUEW-LURJTMIESA-N	-1	0	250.283	0.267	20	30		CCEDRM
COC[C@](C)(C#N)NC(=O)[C@H]1CCC[C@H](C(=O)[O-])C1	ZINC000831541093	616817356	/nfs/dbraw/zinc/81/73/56/616817356.db2.gz	MFSMUCOSLXXQLW-KWBADKCTSA-N	-1	0	268.313	0.922	20	30		CCEDRM
CNC(=O)[C@H](C#N)C(=O)[C@H]1CCC[C@@H](NC(=O)[O-])C1	ZINC000828520975	616838755	/nfs/dbraw/zinc/83/87/55/616838755.db2.gz	RRRKWSCWXJBHPN-DJLDLDEBSA-N	-1	0	267.285	0.268	20	30		CCEDRM
COCCCNC(=O)C(C#N)=C([O-])c1cnc2n1CCC2	ZINC000850751692	616902199	/nfs/dbraw/zinc/90/21/99/616902199.db2.gz	GBTWJXVDUGBJHH-SNVBAGLBSA-N	-1	0	290.323	0.304	20	30		CCEDRM
COC(=O)c1ccc(O)c(C=NN(C)[C@H](C)CO)c1	ZINC000842541480	616918548	/nfs/dbraw/zinc/91/85/48/616918548.db2.gz	SGVQKUCACJTCSS-SECBINFHSA-N	-1	0	266.297	0.825	20	30		CCEDRM
COC(=O)Nc1cccc(C(=O)N[C@H]2CCN(O)C2=O)c1	ZINC000816690692	616935885	/nfs/dbraw/zinc/93/58/85/616935885.db2.gz	AFOGMRZRZLPOMT-JTQLQIEISA-N	-1	0	293.279	0.585	20	30		CCEDRM
COCCN(CC(=O)N(C[C@H](C)C#N)C1CC1)C(=O)[O-]	ZINC000833883509	616977518	/nfs/dbraw/zinc/97/75/18/616977518.db2.gz	KOZNMGFWSOLDIY-SNVBAGLBSA-N	-1	0	283.328	0.763	20	30		CCEDRM
COC[C@@](C)(C#N)NC(=O)CCSCC(=O)[O-]	ZINC000831540906	617010870	/nfs/dbraw/zinc/01/08/70/617010870.db2.gz	HTRLPVVHJOUFDO-SNVBAGLBSA-N	-1	0	260.315	0.239	20	30		CCEDRM
COC[C@@](C)(C#N)NC(=O)CN(CC1CC1)C(=O)[O-]	ZINC000828885612	617011123	/nfs/dbraw/zinc/01/11/23/617011123.db2.gz	JJTZIGRWGKFIOU-GFCCVEGCSA-N	-1	0	269.301	0.421	20	30		CCEDRM
CO[N-]C(=O)C(=O)Nc1ccc(C#N)c(Br)c1	ZINC000807028115	617106961	/nfs/dbraw/zinc/10/69/61/617106961.db2.gz	UQHZJZCYGZMNCJ-UHFFFAOYSA-N	-1	0	298.096	0.937	20	30		CCEDRM
CO[N-]C(=O)CNC(=O)c1cc(C)c(C#N)c(C)c1	ZINC000832740797	617116305	/nfs/dbraw/zinc/11/63/05/617116305.db2.gz	GNXIYAUVRZNCSG-UHFFFAOYSA-N	-1	0	261.281	0.583	20	30		CCEDRM
CO[C@@H](C(=O)[N-]S(=O)(=O)CCC#N)C1CCCC1	ZINC000851015730	617126719	/nfs/dbraw/zinc/12/67/19/617126719.db2.gz	IECYHZCXUYIYOL-SNVBAGLBSA-N	-1	0	274.342	0.551	20	30		CCEDRM
O=C(NCc1n[nH]c(=O)[n-]1)c1cn2c(n1)CCCC2	ZINC000328729306	625318471	/nfs/dbraw/zinc/31/84/71/625318471.db2.gz	WAIQULRDYMMEAJ-UHFFFAOYSA-N	-1	0	262.273	0.548	20	30		CCEDRM
Cc1[nH]nc(C(=O)N2C[C@@H]3CC[C@H](NCC#N)[C@H]3C2)c1[O-]	ZINC001026242666	625369082	/nfs/dbraw/zinc/36/90/82/625369082.db2.gz	ODTCBOLNYJLGKD-DCAQKATOSA-N	-1	0	289.339	0.388	20	30		CCEDRM
COCCCNC(=O)C(C#N)=C([O-])c1ccn(C)c1C	ZINC000194883484	625603078	/nfs/dbraw/zinc/60/30/78/625603078.db2.gz	NJJJUNXMJGDCSY-GFCCVEGCSA-N	-1	0	277.324	0.809	20	30		CCEDRM
C#CCSCCNC(=O)N(CC(=O)[O-])C1CC1	ZINC000227421173	622966655	/nfs/dbraw/zinc/96/66/55/622966655.db2.gz	VWCMLRRGMFJURU-UHFFFAOYSA-N	-1	0	256.327	0.611	20	30		CCEDRM
Cn1nc(C(=O)Nc2cc(C#N)ccc2[O-])ccc1=O	ZINC000176823806	623083678	/nfs/dbraw/zinc/08/36/78/623083678.db2.gz	YHYJBMVFWIEXIN-UHFFFAOYSA-N	-1	0	270.248	0.610	20	30		CCEDRM
N#Cc1ccccc1CS(=O)(=O)NC/C=C/C(=O)[O-]	ZINC000311780824	623799468	/nfs/dbraw/zinc/79/94/68/623799468.db2.gz	DGGDTSCLUCFEQE-ZZXKWVIFSA-N	-1	0	280.305	0.618	20	30		CCEDRM
C[C@@H]1CO[C@@H](C(=O)[N-]S(=O)(=O)CC(C)(C)C#N)C1	ZINC000892932979	623866376	/nfs/dbraw/zinc/86/63/76/623866376.db2.gz	OACWQGJBJIANFR-DTWKUNHWSA-N	-1	0	274.342	0.407	20	30		CCEDRM
C#CCCCCNC(=O)N[C@](CC)(COC)C(=O)[O-]	ZINC000328546840	623886610	/nfs/dbraw/zinc/88/66/10/623886610.db2.gz	ODEDEOKFKLNSCS-CYBMUJFWSA-N	-1	0	270.329	0.969	20	30		CCEDRM
N#CCNC(=O)CNC(=O)c1ccc2[n-]c(=S)oc2c1	ZINC000804820257	624640073	/nfs/dbraw/zinc/64/00/73/624640073.db2.gz	DHQYIQHDTQMAHX-UHFFFAOYSA-N	-1	0	290.304	0.486	20	30		CCEDRM
COCCS(=O)(=O)[N-]C(=O)c1cc(C#N)cs1	ZINC000083941767	624811917	/nfs/dbraw/zinc/81/19/17/624811917.db2.gz	NAMSBLYYTOORCY-UHFFFAOYSA-N	-1	0	274.323	0.901	20	30		CCEDRM
Cn1cc(C#N)c([N-]S(=O)(=O)CC2(F)CC2)n1	ZINC000903614902	634623828	/nfs/dbraw/zinc/62/38/28/634623828.db2.gz	LZJBZMXHBIQBBE-UHFFFAOYSA-N	-1	0	258.278	0.536	20	30		CCEDRM
Cc1n[nH]c(C(=O)NC[C@H]2CCCN2CC#N)c1[O-]	ZINC001027830072	630956012	/nfs/dbraw/zinc/95/60/12/630956012.db2.gz	QTERQVZVEFRWRS-SECBINFHSA-N	-1	0	263.301	0.142	20	30		CCEDRM
C=CCCO[C@H](C)C(=O)N[C@H](C(=O)[O-])[C@H]1CCCOC1	ZINC000262845249	632754152	/nfs/dbraw/zinc/75/41/52/632754152.db2.gz	SOYBGCXSERRMAT-WOPDTQHZSA-N	-1	0	285.340	0.964	20	30		CCEDRM
C=CCN(CC(=O)[O-])C(=O)COc1c(C)nn(C)c1C	ZINC000191268409	633533204	/nfs/dbraw/zinc/53/32/04/633533204.db2.gz	XAGWJFXVUYPCPB-UHFFFAOYSA-N	-1	0	281.312	0.515	20	30		CCEDRM
CS(=O)(=O)[N-]C(=O)[C@@H]1CC(=O)N(Cc2ccccc2)C1	ZINC000042278978	633896704	/nfs/dbraw/zinc/89/67/04/633896704.db2.gz	TUXXNPGYDKNFHI-LLVKDONJSA-N	-1	0	296.348	0.951	20	30		CCEDRM
Cc1ccc(C=NNC2=NC[C@H](C)N2)cc1C(=O)[O-]	ZINC000901216361	634209738	/nfs/dbraw/zinc/20/97/38/634209738.db2.gz	QNMBCOYDBBFLLR-VIFPVBQESA-N	-1	0	260.297	0.964	20	30		CCEDRM
Cc1nc(C=NNCC(=O)[O-])c(Br)[nH]1	ZINC000901247434	634214090	/nfs/dbraw/zinc/21/40/90/634214090.db2.gz	FMLCRLPLDPPQGZ-UHFFFAOYSA-N	-1	0	261.079	0.489	20	30		CCEDRM
C[C@@H]1C[C@H](Cn2c(=O)[n-]cc(C#N)c2=O)C[C@H](C)O1	ZINC000901567012	634260748	/nfs/dbraw/zinc/26/07/48/634260748.db2.gz	WWMVYWACOIEXPE-MYJAWHEDSA-N	-1	0	263.297	0.612	20	30		CCEDRM
N#CC1(C(=O)NCCSCC(=O)[O-])CCSCC1	ZINC000907588098	635161270	/nfs/dbraw/zinc/16/12/70/635161270.db2.gz	HRJOYCKGYSCZDV-UHFFFAOYSA-N	-1	0	288.394	0.957	20	30		CCEDRM
C#C[C@@H](NC(=O)c1ccnc(C(=O)[O-])c1)[C@@H]1CCCO1	ZINC000911577946	636297444	/nfs/dbraw/zinc/29/74/44/636297444.db2.gz	GEUJDDSNSLVNNN-PWSUYJOCSA-N	-1	0	274.276	0.690	20	30		CCEDRM
C=CC[C@H](CO)CNC(=O)CCSCC(=O)[O-]	ZINC000911651055	636333207	/nfs/dbraw/zinc/33/32/07/636333207.db2.gz	LGSNYQIFVJIAOG-VIFPVBQESA-N	-1	0	261.343	0.495	20	30		CCEDRM
COC(C)(C)C(=O)[N-]S(=O)(=O)Cc1ccc(C#N)cc1	ZINC000171697753	637141701	/nfs/dbraw/zinc/14/17/01/637141701.db2.gz	ACKVGLIRPJLXKX-UHFFFAOYSA-N	-1	0	296.348	0.929	20	30		CCEDRM
C[C@@H](CN(C)S(=O)(=O)c1ccc(C#N)s1)C(=O)[O-]	ZINC000230324285	637165979	/nfs/dbraw/zinc/16/59/79/637165979.db2.gz	NXGHOCDUKNXFPU-ZETCQYMHSA-N	-1	0	288.350	0.961	20	30		CCEDRM
C[C@H](NS(=O)(=O)c1ccc(C#N)s1)C(=O)[O-]	ZINC000230322769	637166030	/nfs/dbraw/zinc/16/60/30/637166030.db2.gz	HWBSYGRNGUNKOW-YFKPBYRVSA-N	-1	0	260.296	0.371	20	30		CCEDRM
N#CC1(CC(=O)N2CCC(c3nnn[n-]3)CC2)CC1	ZINC000913746485	637431400	/nfs/dbraw/zinc/43/14/00/637431400.db2.gz	WEZOOTHFPLFTBA-UHFFFAOYSA-N	-1	0	260.301	0.600	20	30		CCEDRM
CC#CCN1CCC[C@@H](NC(=O)c2[nH]nc(C)c2[O-])C1	ZINC001007132202	637642211	/nfs/dbraw/zinc/64/22/11/637642211.db2.gz	ZTEHWUUPTRZBHZ-LLVKDONJSA-N	-1	0	276.340	0.641	20	30		CCEDRM
CS(=O)(=O)[N-]C(=O)c1ccccc1OCC#N	ZINC000193592909	637757277	/nfs/dbraw/zinc/75/72/77/637757277.db2.gz	NWSSQZJVMATFEL-UHFFFAOYSA-N	-1	0	254.267	0.278	20	30		CCEDRM
CS[C@@H](C)CC(=O)[N-]S(=O)(=O)CCCC#N	ZINC000181278376	638329375	/nfs/dbraw/zinc/32/93/75/638329375.db2.gz	ZNIWUKFXNNWDKC-QMMMGPOBSA-N	-1	0	264.372	0.878	20	30		CCEDRM
CCCCOCC(=O)[N-]S(=O)(=O)CCCC#N	ZINC000181285440	638331034	/nfs/dbraw/zinc/33/10/34/638331034.db2.gz	HPEUNLTZYGUZFP-UHFFFAOYSA-N	-1	0	262.331	0.553	20	30		CCEDRM
O=C([N-]S(=O)(=O)N1CCCC1)c1ccc2nncn2c1	ZINC000073090913	638785794	/nfs/dbraw/zinc/78/57/94/638785794.db2.gz	UAHPZBUFVIBTED-UHFFFAOYSA-N	-1	0	295.324	0.375	20	30		CCEDRM
CC#CCS(=O)(=O)[N-]C(=O)c1ccccc1[N+](=O)[O-]	ZINC000788071450	638843399	/nfs/dbraw/zinc/84/33/99/638843399.db2.gz	PJNGXISTIVEBHB-UHFFFAOYSA-N	-1	0	282.277	0.678	20	30		CCEDRM
Cc1nn(C)c(Cl)c1S(=O)(=O)NC[C@@H](C)C#N	ZINC000080629617	639581730	/nfs/dbraw/zinc/58/17/30/639581730.db2.gz	OMGJDOPYNUDARD-LURJTMIESA-N	-1	0	276.749	0.820	20	30		CCEDRM
Cn1ccnc1C([O-])=C(C#N)C(=O)Cn1cc(Cl)cn1	ZINC000808991635	640883314	/nfs/dbraw/zinc/88/33/14/640883314.db2.gz	ICIHWZPACOGTFT-SECBINFHSA-N	-1	0	291.698	0.862	20	30		CCEDRM
CC#CCS(=O)(=O)[N-]C(=O)CC(C)(C)C(=O)OCC	ZINC000810775579	640949527	/nfs/dbraw/zinc/94/95/27/640949527.db2.gz	LFNBUCLVORVUOZ-UHFFFAOYSA-N	-1	0	289.353	0.435	20	30		CCEDRM
Cc1ccoc1C(=O)[N-]S(=O)(=O)c1cncc(C#N)c1	ZINC000813985168	641051920	/nfs/dbraw/zinc/05/19/20/641051920.db2.gz	PJLSOORZIAZHFK-UHFFFAOYSA-N	-1	0	291.288	0.973	20	30		CCEDRM
Cc1cnn(C)c1S(=O)(=O)[N-]C(=O)CC(C)(C)C#N	ZINC000813990542	641053160	/nfs/dbraw/zinc/05/31/60/641053160.db2.gz	MMGNKVRRSDQQFY-UHFFFAOYSA-N	-1	0	284.341	0.473	20	30		CCEDRM
O=C1[N-]C(=O)C(=NOCc2ccc(F)cc2)C(=O)N1	ZINC000814227404	641061075	/nfs/dbraw/zinc/06/10/75/641061075.db2.gz	VLJZHGXHDPUXCB-UHFFFAOYSA-N	-1	0	265.200	0.064	20	30		CCEDRM
O=c1[n-][nH]c(=O)n1N=CCc1ccc([N+](=O)[O-])cc1	ZINC000814232720	641062064	/nfs/dbraw/zinc/06/20/64/641062064.db2.gz	JNVMMYOFSSSELN-UHFFFAOYSA-N	-1	0	263.213	0.674	20	30		CCEDRM
Cc1ccc2nc(C=Nn3c(=O)[n-][nH]c3=O)cn2c1	ZINC000814232274	641062258	/nfs/dbraw/zinc/06/22/58/641062258.db2.gz	PUEALIFCXTUZPJ-UHFFFAOYSA-N	-1	0	258.241	0.528	20	30		CCEDRM
O=c1[n-][nH]c(=O)n1N=Cc1cn2cc(Cl)ccc2n1	ZINC000814232786	641062278	/nfs/dbraw/zinc/06/22/78/641062278.db2.gz	MBWOYGZUUWKNTK-UHFFFAOYSA-N	-1	0	278.659	0.873	20	30		CCEDRM
O=C([O-])C1CC(=NNC(=S)NC[C@H]2CCCO2)C1	ZINC000814726660	641074310	/nfs/dbraw/zinc/07/43/10/641074310.db2.gz	GCTCXJLTVSFWLH-NHSZFOGYSA-N	-1	0	271.342	0.480	20	30		CCEDRM
C[C@H]1C(N=Nc2ccc(C(N)=O)nn2)CC[C@@H]1CC(=O)[O-]	ZINC000814870105	641079986	/nfs/dbraw/zinc/07/99/86/641079986.db2.gz	NKDGSEOQEZCOCU-HTQZYQBOSA-N	-1	0	291.311	0.864	20	30		CCEDRM
C[C@@H](Oc1ccc(C=NNCCO)cc1)C(=O)[O-]	ZINC000814944015	641083627	/nfs/dbraw/zinc/08/36/27/641083627.db2.gz	JLWRCDWRPKUMKX-SECBINFHSA-N	-1	0	252.270	0.454	20	30		CCEDRM
Cc1c(C=NNCC(=O)[O-])c(=O)n(-c2ccccc2)n1C	ZINC000814960242	641084414	/nfs/dbraw/zinc/08/44/14/641084414.db2.gz	ITJAVPIFABYWEF-UHFFFAOYSA-N	-1	0	288.307	0.493	20	30		CCEDRM
CS(=O)(=O)c1ccc(C=NNCC(=O)[O-])cc1	ZINC000814958883	641084591	/nfs/dbraw/zinc/08/45/91/641084591.db2.gz	YUZLOYPGQSSQOG-UHFFFAOYSA-N	-1	0	256.283	0.098	20	30		CCEDRM
CN(C)c1cc(C#N)cc(C(=O)[N-]S(C)(=O)=O)c1	ZINC000815894519	641128442	/nfs/dbraw/zinc/12/84/42/641128442.db2.gz	FCSOIEJYCVFMAB-UHFFFAOYSA-N	-1	0	267.310	0.314	20	30		CCEDRM
N#CC1(CC(=O)[N-]S(=O)(=O)c2ccccn2)CC1	ZINC000815952934	641132216	/nfs/dbraw/zinc/13/22/16/641132216.db2.gz	YZOSOKCYRYPQPR-UHFFFAOYSA-N	-1	0	265.294	0.580	20	30		CCEDRM
Cc1cc(C#N)cnc1C(=O)[N-]N1CCCNC1=O	ZINC000815982322	641134221	/nfs/dbraw/zinc/13/42/21/641134221.db2.gz	UFCUBGRAAHMFPO-UHFFFAOYSA-N	-1	0	259.269	0.322	20	30		CCEDRM
C[C@]1(C(=O)N[C@@H]2CCN(O)C2=O)CCc2ccccc21	ZINC000820131528	641464219	/nfs/dbraw/zinc/46/42/19/641464219.db2.gz	JGJCMKUMZMKNPM-DOMZBBRYSA-N	-1	0	274.320	0.997	20	30		CCEDRM
C[C@@H]1CCn2ncc(C(=O)N[C@@H]3CCN(O)C3=O)c2C1	ZINC000820131759	641464673	/nfs/dbraw/zinc/46/46/73/641464673.db2.gz	LIOAJTZYKMFQSL-PSASIEDQSA-N	-1	0	278.312	0.185	20	30		CCEDRM
N#CCCS(=O)(=O)[N-]C(=O)CC[C@H]1CCOC1	ZINC000821583651	641611013	/nfs/dbraw/zinc/61/10/13/641611013.db2.gz	CJWBKKNEHYXKET-VIFPVBQESA-N	-1	0	260.315	0.163	20	30		CCEDRM
Cc1ncc(C(=O)[N-]S(=O)(=O)CCC#N)c(C(C)C)n1	ZINC000821583965	641611329	/nfs/dbraw/zinc/61/13/29/641611329.db2.gz	NCQGYDKPRYNEHX-UHFFFAOYSA-N	-1	0	296.352	0.882	20	30		CCEDRM
C#C[C@H](CCC)NC(=O)c1cccc(-n2[n-]nnc2=N)c1	ZINC000822395996	641664006	/nfs/dbraw/zinc/66/40/06/641664006.db2.gz	HUDYGZXYXSTPCD-LLVKDONJSA-N	-1	0	284.323	0.607	20	30		CCEDRM
N#C[C@H](NC(=O)c1cc(S(N)(=O)=O)ccc1[O-])C1CC1	ZINC000826931379	641968375	/nfs/dbraw/zinc/96/83/75/641968375.db2.gz	HGFUMICKQWQQDI-JTQLQIEISA-N	-1	0	295.320	0.072	20	30		CCEDRM
C[C@H](NC(=O)CN(CC#N)CC(=O)[O-])c1cccs1	ZINC000827631104	642030704	/nfs/dbraw/zinc/03/07/04/642030704.db2.gz	WRUJZLZQCLUPQK-VIFPVBQESA-N	-1	0	281.337	0.835	20	30		CCEDRM
C[C@@H]1CCC[C@@H](NC(=O)CN(CC#N)CC(=O)[O-])[C@H]1C	ZINC000828240618	642075119	/nfs/dbraw/zinc/07/51/19/642075119.db2.gz	ZOENJKZAOAHJGU-GRYCIOLGSA-N	-1	0	281.356	0.837	20	30		CCEDRM
NC(=O)CON=C1CCC[C@H]1[C@@H]1COCCN1C(=O)[O-]	ZINC000833984901	642544926	/nfs/dbraw/zinc/54/49/26/642544926.db2.gz	KRRFNNYAEUIDLK-SCZZXKLOSA-N	-1	0	285.300	0.023	20	30		CCEDRM
C#CCO[C@@H](C)C(=O)[N-]S(=O)(=O)Cc1ccccc1	ZINC000835039188	642645889	/nfs/dbraw/zinc/64/58/89/642645889.db2.gz	XMDAVBBQEKYKTH-NSHDSACASA-N	-1	0	281.333	0.671	20	30		CCEDRM
C#CCO[C@@H](C)C(=O)[N-]S(=O)(=O)CCOC(C)(C)C	ZINC000835916722	642677196	/nfs/dbraw/zinc/67/71/96/642677196.db2.gz	RDIZYUWDLWDRGB-JTQLQIEISA-N	-1	0	291.369	0.286	20	30		CCEDRM
N#CCCS(=O)(=O)[N-]C(=O)c1nc2c(s1)CCC2	ZINC000842354676	642893715	/nfs/dbraw/zinc/89/37/15/642893715.db2.gz	PXEGPKLUDSNVSD-UHFFFAOYSA-N	-1	0	285.350	0.605	20	30		CCEDRM
C[C@@H](CC#N)C(=O)[N-]S(=O)(=O)C[C@H]1CCCCO1	ZINC000850812446	643814906	/nfs/dbraw/zinc/81/49/06/643814906.db2.gz	XDNTXPBFFQWAFT-VHSXEESVSA-N	-1	0	274.342	0.551	20	30		CCEDRM
Cc1ncc(S(=O)(=O)[N-]C(=O)[C@H](C)CC#N)s1	ZINC000850985974	643825174	/nfs/dbraw/zinc/82/51/74/643825174.db2.gz	VFBPDQBRHWQDOY-ZCFIWIBFSA-N	-1	0	273.339	0.806	20	30		CCEDRM
N#CC1(CC(=O)[N-]S(=O)(=O)C2CCC2)CCOCC1	ZINC000850989120	643825185	/nfs/dbraw/zinc/82/51/85/643825185.db2.gz	JHVBDNNVYSCESI-UHFFFAOYSA-N	-1	0	286.353	0.695	20	30		CCEDRM
C[C@@H](CC#N)C(=O)[N-]S(=O)(=O)c1ccc2n[nH]nc2c1	ZINC000851016735	643826257	/nfs/dbraw/zinc/82/62/57/643826257.db2.gz	DBMZUVBHMGQRMV-ZETCQYMHSA-N	-1	0	293.308	0.313	20	30		CCEDRM
C[C@@H](CC#N)C(=O)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cn1	ZINC000851114987	643832789	/nfs/dbraw/zinc/83/27/89/643832789.db2.gz	PYAKJFCUWGCCSW-ZETCQYMHSA-N	-1	0	298.280	0.344	20	30		CCEDRM
O=C([O-])COc1ccccc1C=NN1CCOC1=O	ZINC000863162598	645064327	/nfs/dbraw/zinc/06/43/27/645064327.db2.gz	QKHQTTLTKZJSLG-UHFFFAOYSA-N	-1	0	264.237	0.936	20	30		CCEDRM
C[C@]1([N-]C(=O)C(F)(F)F)CCN(c2cnc(C#N)cn2)C1	ZINC000866285568	645512530	/nfs/dbraw/zinc/51/25/30/645512530.db2.gz	NPWDAFVDEXSAQW-NSHDSACASA-N	-1	0	299.256	0.996	20	30		CCEDRM
N#Cc1cc(F)ccc1S(=O)(=O)[N-]N1CCCC1=O	ZINC000867594164	645636316	/nfs/dbraw/zinc/63/63/16/645636316.db2.gz	IBIFZSDUCRHLFD-UHFFFAOYSA-N	-1	0	283.284	0.513	20	30		CCEDRM
Cc1ccc(S(=O)(=O)N2CC(C(=O)[O-])C2)c(C#N)c1	ZINC000871767281	646179248	/nfs/dbraw/zinc/17/92/48/646179248.db2.gz	BAHIYQTUWGTTIB-UHFFFAOYSA-N	-1	0	280.305	0.572	20	30		CCEDRM
O=c1cn[nH]c(=S)n1N=CC(F)(F)C(F)(F)F	ZINC000872372518	646251704	/nfs/dbraw/zinc/25/17/04/646251704.db2.gz	ZYFWNXZWFQHLDJ-UHFFFAOYSA-N	-1	0	274.174	0.959	20	30		CCEDRM
N#Cc1nc(NC(=O)c2cccc(F)n2)[n-]c1C#N	ZINC000135559876	647803386	/nfs/dbraw/zinc/80/33/86/647803386.db2.gz	QYQNIQMCKOVSLK-UHFFFAOYSA-N	-1	0	256.200	0.939	20	30		CCEDRM
C#CCC1(NC(=O)c2c[n-]n3c2nccc3=O)CCC1	ZINC000886798348	648014969	/nfs/dbraw/zinc/01/49/69/648014969.db2.gz	YRMRSGIJPZBTSI-UHFFFAOYSA-N	-1	0	270.292	0.698	20	30		CCEDRM
CS(=O)(=O)[N-]C(=O)c1ccc(N)c([N+](=O)[O-])c1	ZINC000048478745	649322007	/nfs/dbraw/zinc/32/20/07/649322007.db2.gz	PHCJOBKTPLWYPS-UHFFFAOYSA-N	-1	0	259.243	0.441	20	30		CCEDRM
CCCCS(=O)(=O)[N-]C(=O)Cn1cnc([N+](=O)[O-])n1	ZINC000048863795	649327028	/nfs/dbraw/zinc/32/70/28/649327028.db2.gz	JEEWEMBQMCEISN-UHFFFAOYSA-N	-1	0	291.289	0.273	20	30		CCEDRM
CS(=O)(=O)[N-]C(=O)c1cccc(-n2cccn2)n1	ZINC000077864980	649458762	/nfs/dbraw/zinc/45/87/62/649458762.db2.gz	GXJPEPGVGULHNF-UHFFFAOYSA-N	-1	0	266.282	0.532	20	30		CCEDRM
CC(C)NC(=O)C(C#N)=C([O-])c1ccc(-n2cnnn2)cc1	ZINC000193482996	649541910	/nfs/dbraw/zinc/54/19/10/649541910.db2.gz	BDDQWRBQKZAXLL-LBPRGKRZSA-N	-1	0	298.306	0.509	20	30		CCEDRM
CO[C@@H](C)C(=O)[N-]S(=O)(=O)Cc1cccc(C#N)c1	ZINC000195496764	649601823	/nfs/dbraw/zinc/60/18/23/649601823.db2.gz	JOTYVYUYEQFTHW-VIFPVBQESA-N	-1	0	282.321	0.539	20	30		CCEDRM
CC(C)S(=O)(=O)[N-]C(=O)c1cc(C#N)cn1C	ZINC000083766036	649605478	/nfs/dbraw/zinc/60/54/78/649605478.db2.gz	JNDUDBIRCXTGBC-UHFFFAOYSA-N	-1	0	255.299	0.940	20	30		CCEDRM
C#CCCCCC(=O)N[C@@H]1CCN(Cc2n[nH]c(=O)[n-]2)C1	ZINC001266313639	790489748	/nfs/dbraw/zinc/48/97/48/790489748.db2.gz	BXJUXYMTEAYTAZ-LLVKDONJSA-N	-1	0	291.355	0.394	20	30		CCEDRM
Nc1nonc1C(=N[O-])Nc1ccc(F)c(CO)c1	ZINC001209873594	790703107	/nfs/dbraw/zinc/70/31/07/790703107.db2.gz	ZACDYFRNBJGZMD-UHFFFAOYSA-N	-1	0	267.220	0.531	20	30		CCEDRM
N#Cc1ccc([O-])c(CN2CCn3cnnc3C2)c1	ZINC001232673809	805968264	/nfs/dbraw/zinc/96/82/64/805968264.db2.gz	NTBZYNYLMDJUEZ-UHFFFAOYSA-N	-1	0	255.281	0.871	20	30		CCEDRM
N#CCc1ccc([N+](=O)[O-])c(N[C@@H]2CO[N-]C2=O)c1	ZINC001167519204	791506769	/nfs/dbraw/zinc/50/67/69/791506769.db2.gz	JXKMEZMYMKYKJX-SECBINFHSA-N	-1	0	262.225	0.503	20	30		CCEDRM
N#CCC(=O)c1ccc(OC(=O)[C@H](O)CCC(=O)[O-])cc1	ZINC001233526897	806074669	/nfs/dbraw/zinc/07/46/69/806074669.db2.gz	VWHQPNPUDOQIBK-GFCCVEGCSA-N	-1	0	291.259	0.914	20	30		CCEDRM
N#CCC(=O)c1ccc(OC(=O)[C@@H](O)CC(=O)[O-])cc1	ZINC001233527233	806075535	/nfs/dbraw/zinc/07/55/35/806075535.db2.gz	WTQXCVXZYVDUFI-NSHDSACASA-N	-1	0	277.232	0.524	20	30		CCEDRM
C=CCC1(NC(=O)c2cn(CC(=O)[O-])nn2)CCCC1	ZINC000690751067	791696118	/nfs/dbraw/zinc/69/61/18/791696118.db2.gz	VBTMQLBWHFMZEE-UHFFFAOYSA-N	-1	0	278.312	0.981	20	30		CCEDRM
COC(=O)C1=NC(C(=O)OC)C([O-])=C1O[C@H]1C=CC(=O)C1	ZINC001234353837	806229885	/nfs/dbraw/zinc/22/98/85/806229885.db2.gz	DAIYFCSNSUOLCI-ZETCQYMHSA-N	-1	0	295.247	0.570	20	30		CCEDRM
C=C[C@@H](Oc1c([O-])c(=O)c(=O)c(=O)c1=O)c1ccccc1	ZINC001234379406	806235745	/nfs/dbraw/zinc/23/57/45/806235745.db2.gz	TUINKALYCCDMTO-SECBINFHSA-N	-1	0	286.239	0.015	20	30		CCEDRM
C[C@H](O)C(=O)Oc1[n-]c(=O)nc2cccc(C#N)c21	ZINC001234511625	806265461	/nfs/dbraw/zinc/26/54/61/806265461.db2.gz	SLXVSMXUTGTYOI-LURJTMIESA-N	-1	0	259.221	0.493	20	30		CCEDRM
COCCNC(=O)C(C#N)=C([O-])c1ccc(C(=O)OC)o1	ZINC001122413510	799227681	/nfs/dbraw/zinc/22/76/81/799227681.db2.gz	QOUCOESKHPJOAE-QMMMGPOBSA-N	-1	0	294.263	0.151	20	30		CCEDRM
CNC(=O)C(C#N)=C([O-])c1cccc(C[S@@](C)=O)c1	ZINC001122707492	799288298	/nfs/dbraw/zinc/28/82/98/799288298.db2.gz	LJMVYSSUGZVQRA-NSPYISDASA-N	-1	0	278.333	0.634	20	30		CCEDRM
N#Cc1cc(C(=O)NCc2nc(=O)o[n-]2)cs1	ZINC001137740780	799685970	/nfs/dbraw/zinc/68/59/70/799685970.db2.gz	QOVDWCGWOHPQMK-UHFFFAOYSA-N	-1	0	250.239	0.226	20	30		CCEDRM
N#Cc1cc(NC(=O)[C@H]2CCC(=O)N2)c([O-])cc1F	ZINC001143124321	800195630	/nfs/dbraw/zinc/19/56/30/800195630.db2.gz	NYAIVNQNZWWWPO-MRVPVSSYSA-N	-1	0	263.228	0.620	20	30		CCEDRM
N#Cc1cc([N-]S(=O)(=O)c2cc(F)ccc2N)ccn1	ZINC001206633509	800328941	/nfs/dbraw/zinc/32/89/41/800328941.db2.gz	OEJGZGVRFDPLRT-UHFFFAOYSA-N	-1	0	292.295	0.897	20	30		CCEDRM
C=C[C@@H]1OCC[C@H]1C(=O)N(Cc1nnn[n-]1)CC(C)C	ZINC001153812425	800671548	/nfs/dbraw/zinc/67/15/48/800671548.db2.gz	XPSABIIOVUNVBO-MNOVXSKESA-N	-1	0	279.344	0.775	20	30		CCEDRM
COC(=O)n1ncc(C#N)c1[N-]c1nnc(C)c(C)n1	ZINC001158970316	801729151	/nfs/dbraw/zinc/72/91/51/801729151.db2.gz	RKAJEIXCATZCNK-UHFFFAOYSA-N	-1	0	273.256	0.915	20	30		CCEDRM
N#Cc1cc2c(nc1NCC(=O)CCC(=O)[O-])CCOC2	ZINC001160876747	802039623	/nfs/dbraw/zinc/03/96/23/802039623.db2.gz	OSVMUNMBTOROFA-UHFFFAOYSA-N	-1	0	289.291	0.872	20	30		CCEDRM
CCOC(=O)[C@@H](C#N)[N-]S(=O)(=O)C1CCCCC1	ZINC001259817181	808774559	/nfs/dbraw/zinc/77/45/59/808774559.db2.gz	AFLKYSKXJZRAFT-SNVBAGLBSA-N	-1	0	274.342	0.694	20	30		CCEDRM
N#Cc1ncncc1NCC[N-]C(=O)C(F)(F)F	ZINC001164243854	802696818	/nfs/dbraw/zinc/69/68/18/802696818.db2.gz	ISBYBPJJHUNHIU-UHFFFAOYSA-N	-1	0	259.191	0.439	20	30		CCEDRM
C=C[C@H](C)O[N-]C(=O)CNC(=O)c1ccc(C#N)cc1	ZINC001164415248	802738443	/nfs/dbraw/zinc/73/84/43/802738443.db2.gz	ZMDNRSSWFYBPJV-JTQLQIEISA-N	-1	0	273.292	0.910	20	30		CCEDRM
Cc1cc(F)ccc1Cn1c(=O)[n-]cc(C#N)c1=O	ZINC001166383337	802903889	/nfs/dbraw/zinc/90/38/89/802903889.db2.gz	JDAZUOOVRWHOAJ-UHFFFAOYSA-N	-1	0	259.240	0.904	20	30		CCEDRM
N#Cc1cncc(N2CCC([N-]C(=O)C(F)(F)F)CC2)n1	ZINC001166896109	802973735	/nfs/dbraw/zinc/97/37/35/802973735.db2.gz	FPLSUCNVSNASCI-UHFFFAOYSA-N	-1	0	299.256	0.996	20	30		CCEDRM
N#Cc1nccnc1N1CCC([N-]C(=O)C(F)(F)F)CC1	ZINC001166894950	802974152	/nfs/dbraw/zinc/97/41/52/802974152.db2.gz	MVZJIJGWHBXNQY-UHFFFAOYSA-N	-1	0	299.256	0.996	20	30		CCEDRM
N#Cc1ccc(COC(=O)[C@H](O)CCC(=O)[O-])cc1	ZINC001205598296	803150723	/nfs/dbraw/zinc/15/07/23/803150723.db2.gz	RETDDLYDBKHCBR-LLVKDONJSA-N	-1	0	263.249	0.827	20	30		CCEDRM
C=CCC[C@H](NS(=O)(=O)c1cncc(C#N)c1)C(=O)[O-]	ZINC000315987658	804661522	/nfs/dbraw/zinc/66/15/22/804661522.db2.gz	BVKSMZVBMRVRCB-NSHDSACASA-N	-1	0	295.320	0.651	20	30		CCEDRM
C=CCC[C@@H](NC(=O)NCCCn1ccnc1)C(=O)[O-]	ZINC000316634317	804713624	/nfs/dbraw/zinc/71/36/24/804713624.db2.gz	NXZVGWIILWXCRE-LLVKDONJSA-N	-1	0	280.328	0.992	20	30		CCEDRM
Cc1cc(C#N)c(OC(=O)[C@H](O)CCC(=O)[O-])nc1C	ZINC001225529812	805138991	/nfs/dbraw/zinc/13/89/91/805138991.db2.gz	XDMNXOXXBVEAEC-SNVBAGLBSA-N	-1	0	278.264	0.701	20	30		CCEDRM
CCC1=C(Oc2nc(C(=O)OC)cc(=O)[n-]2)C(=O)[C@H](C)O1	ZINC001225735811	805157223	/nfs/dbraw/zinc/15/72/23/805157223.db2.gz	XVZZDCJPJYXFGY-LURJTMIESA-N	-1	0	294.263	0.957	20	30		CCEDRM
N#Cc1ccc(OC(=O)[C@H](O)CC(=O)[O-])c(F)c1	ZINC001226049343	805188475	/nfs/dbraw/zinc/18/84/75/805188475.db2.gz	OMQZVBXYAARODD-MRVPVSSYSA-N	-1	0	253.185	0.438	20	30		CCEDRM
CCOC(=O)C[C@@H](CC#N)Oc1[n-]c(=O)ncc1[N+](=O)[O-]	ZINC001226331251	805220263	/nfs/dbraw/zinc/22/02/63/805220263.db2.gz	JGZQOEDCIHRQKX-SSDOTTSWSA-N	-1	0	296.239	0.705	20	30		CCEDRM
C#CC(C#C)Oc1ccc(O)cc1S(=O)(=O)[O-]	ZINC001226415542	805227696	/nfs/dbraw/zinc/22/76/96/805227696.db2.gz	HRJKIQDQVOGVQW-UHFFFAOYSA-N	-1	0	252.247	0.653	20	30		CCEDRM
C#C[C@@H](Oc1nc(=O)[n-]c(C(=O)OC)c1[N+](=O)[O-])C(C)C	ZINC001226648305	805260002	/nfs/dbraw/zinc/26/00/02/805260002.db2.gz	CVRSSCSFUBKLQU-SSDOTTSWSA-N	-1	0	295.251	0.914	20	30		CCEDRM
COC(=O)c1[n-]c(=O)nc(O[C@H]2C=CC(=O)C2)c1[N+](=O)[O-]	ZINC001226650354	805261198	/nfs/dbraw/zinc/26/11/98/805261198.db2.gz	XJIZHFRBWYOCPY-LURJTMIESA-N	-1	0	295.207	0.153	20	30		CCEDRM
C#C[C@@H](Oc1cc(=O)[n-]c(OC)n1)C(=O)OCC	ZINC001227000467	805307774	/nfs/dbraw/zinc/30/77/74/805307774.db2.gz	KIRJNRGTTCDJKI-SSDOTTSWSA-N	-1	0	252.226	0.135	20	30		CCEDRM
Cc1cc(C#N)cc(OC(=O)[C@H](O)CCC(=O)[O-])c1	ZINC001227835103	805397415	/nfs/dbraw/zinc/39/74/15/805397415.db2.gz	IIHSPTDHKFVIFT-LLVKDONJSA-N	-1	0	263.249	0.998	20	30		CCEDRM
N#Cc1ccc(Cl)cc1OC(=O)[C@H](O)CC(=O)[O-]	ZINC001228084449	805412814	/nfs/dbraw/zinc/41/28/14/805412814.db2.gz	LWUGVKQJQSDEMK-MRVPVSSYSA-N	-1	0	269.640	0.953	20	30		CCEDRM
C=CCOC[C@@H](CS(=O)(=O)[O-])Oc1nccn1C	ZINC001228316206	805436201	/nfs/dbraw/zinc/43/62/01/805436201.db2.gz	YPJZAXIGSYAGBO-VIFPVBQESA-N	-1	0	276.314	0.258	20	30		CCEDRM
COC(=O)[C@@H]1C[C@@H](Oc2[n-]c(=O)ccc2C#N)CN1C	ZINC001228900140	805487653	/nfs/dbraw/zinc/48/76/53/805487653.db2.gz	CJMHHBLCWBKXII-ZJUUUORDSA-N	-1	0	277.280	0.283	20	30		CCEDRM
N#Cc1ccc([N+](=O)[O-])cc1OC(=O)[C@H](O)CCC(=O)[O-]	ZINC001228923533	805488894	/nfs/dbraw/zinc/48/88/94/805488894.db2.gz	VYJFHSWQABHWQZ-SECBINFHSA-N	-1	0	294.219	0.598	20	30		CCEDRM
Cc1n[nH]cc1C=Nn1c(=O)c(C)n[n-]c1=S	ZINC001248679546	807519594	/nfs/dbraw/zinc/51/95/94/807519594.db2.gz	OTFJCPWQRCEGQP-UHFFFAOYSA-N	-1	0	250.287	0.149	20	30		CCEDRM
C#Cc1nc(Br)cnc1[N-]S(=O)(=O)CC	ZINC001253277363	808042237	/nfs/dbraw/zinc/04/22/37/808042237.db2.gz	KECXLGDFEYQKIW-UHFFFAOYSA-N	-1	0	290.142	0.982	20	30		CCEDRM
C=C(C)[C@@H](CC(=O)[N-]S(=O)(=O)N(C)C)OCC	ZINC001253654009	808102161	/nfs/dbraw/zinc/10/21/61/808102161.db2.gz	LWECNQRJMHMIMX-SECBINFHSA-N	-1	0	264.347	0.280	20	30		CCEDRM
N#Cc1ccccc1-c1cn(CCOCC(=O)[O-])nn1	ZINC001254089522	808178850	/nfs/dbraw/zinc/17/88/50/808178850.db2.gz	INCLCECEQBECDG-UHFFFAOYSA-N	-1	0	272.264	0.918	20	30		CCEDRM
C#CC[S@](=O)Cc1cn(-c2ccccc2C(=O)[O-])nn1	ZINC001254098712	808181452	/nfs/dbraw/zinc/18/14/52/808181452.db2.gz	LYIFKXWJGMRSRF-FQEVSTJZSA-N	-1	0	289.316	0.847	20	30		CCEDRM
COC(=O)CS(=O)(=O)[N-]c1ccc(C#N)cc1C	ZINC001259016811	808715997	/nfs/dbraw/zinc/71/59/97/808715997.db2.gz	BEHZWRCCFIEAHD-UHFFFAOYSA-N	-1	0	268.294	0.781	20	30		CCEDRM
Cn1nnnc1[N-]S(=O)(=O)c1ccc(C#N)cc1Cl	ZINC001259106391	808732862	/nfs/dbraw/zinc/73/28/62/808732862.db2.gz	KHBMCRRLEGXYNA-UHFFFAOYSA-N	-1	0	298.715	0.536	20	30		CCEDRM
C#Cc1cc([N-]S(=O)(=O)c2cnn(CC)c2)ccn1	ZINC001259832170	808782591	/nfs/dbraw/zinc/78/25/91/808782591.db2.gz	JMAVBMLTOIFWHS-UHFFFAOYSA-N	-1	0	276.321	0.502	20	30		CCEDRM
Cc1nc(S(=O)(=O)[N-]c2cn(C)nc2C#N)cn1C	ZINC001260542859	808862806	/nfs/dbraw/zinc/86/28/06/808862806.db2.gz	SIFVELFRIXXFDO-UHFFFAOYSA-N	-1	0	280.313	0.135	20	30		CCEDRM
N#Cc1cnc2ccnn2c1[N-]S(=O)(=O)c1cn[nH]c1	ZINC001260954342	808887189	/nfs/dbraw/zinc/88/71/89/808887189.db2.gz	NLPUJTXANMIJJG-UHFFFAOYSA-N	-1	0	289.280	0.125	20	30		CCEDRM
Cc1nnc(N=NC2CCC(C)(O)CC2)[n-]c1=O	ZINC001261833387	809102367	/nfs/dbraw/zinc/10/23/67/809102367.db2.gz	WGXXOAXWCPRFIL-UHFFFAOYSA-N	-1	0	251.290	0.979	20	30		CCEDRM
C=C[C@@H]1OCC[C@H]1NC(=O)N(CCOC)CCC(=O)[O-]	ZINC001263063756	809429959	/nfs/dbraw/zinc/42/99/59/809429959.db2.gz	DPYKHDZYOSYGLA-MNOVXSKESA-N	-1	0	286.328	0.463	20	30		CCEDRM
C=CCNC(=O)C(C#N)=C([O-])c1cnn(CCCOC)c1	ZINC001263296510	809503982	/nfs/dbraw/zinc/50/39/82/809503982.db2.gz	IBIUPIAVUCQJJZ-LBPRGKRZSA-N	-1	0	290.323	0.544	20	30		CCEDRM
CCc1cc(C([O-])=C(C#N)C(=O)NCCOC)n[nH]1	ZINC001263375177	809514444	/nfs/dbraw/zinc/51/44/44/809514444.db2.gz	HPQNYTCFYBJVAL-SECBINFHSA-N	-1	0	264.285	0.057	20	30		CCEDRM
CNC(=O)C(C#N)=C([O-])c1cnc2c(c1)c(C)nn2C	ZINC001263375369	809514453	/nfs/dbraw/zinc/51/44/53/809514453.db2.gz	NUHXRUFBSDKXMG-JTQLQIEISA-N	-1	0	271.280	0.345	20	30		CCEDRM
Cn1ccnc1C([O-])=C(C#N)C(=O)[C@H]1CCCC(=O)N1C	ZINC001263413618	809517579	/nfs/dbraw/zinc/51/75/79/809517579.db2.gz	DHYKPNJQRBTMSX-VHSXEESVSA-N	-1	0	288.307	0.323	20	30		CCEDRM
C=CCOC[C@H](CS(=O)(=O)[O-])OCc1cnn(C)c1	ZINC001222429716	811906396	/nfs/dbraw/zinc/90/63/96/811906396.db2.gz	GFWTVFZEDHUUKE-LLVKDONJSA-N	-1	0	290.341	0.396	20	30		CCEDRM
Cc1nc(S(=O)(=O)[N-]c2ccc(C#N)nc2)cn1C	ZINC000709798117	812468402	/nfs/dbraw/zinc/46/84/02/812468402.db2.gz	KEHHTPJUNUVBFQ-UHFFFAOYSA-N	-1	0	277.309	0.796	20	30		CCEDRM
C=C(C)CCC(=O)N[C@]1(C)CCN(Cc2n[nH]c(=O)[n-]2)C1	ZINC001270591369	813828679	/nfs/dbraw/zinc/82/86/79/813828679.db2.gz	YOHOBMRJLHZUCE-CQSZACIVSA-N	-1	0	293.371	0.947	20	30		CCEDRM
C#C[C@@H](Oc1c[n-]c(C(=O)OC)cc1=O)C(=O)OCC	ZINC001227786482	814509784	/nfs/dbraw/zinc/50/97/84/814509784.db2.gz	SDQPFLQTIWXGLK-SNVBAGLBSA-N	-1	0	279.248	0.105	20	30		CCEDRM
Cc1[nH]nc(C(=O)N2CCCCC[C@H](NCC#N)C2)c1[O-]	ZINC001088297654	814584732	/nfs/dbraw/zinc/58/47/32/814584732.db2.gz	TVRDAXJFOPJGMN-NSHDSACASA-N	-1	0	291.355	0.922	20	30		CCEDRM
C#CC[C@H](NC(=O)C1(OC)CCCCC1)C(=O)[O-]	ZINC000701404578	818960755	/nfs/dbraw/zinc/96/07/55/818960755.db2.gz	XRIWVQGLEQYFIS-JTQLQIEISA-N	-1	0	253.298	0.928	20	30		CCEDRM
N#CC1CCN(C(=O)N[C@H]2C[C@@H](C(=O)[O-])C2)CC1	ZINC000703754744	819319468	/nfs/dbraw/zinc/31/94/68/819319468.db2.gz	ZNOSFQCTICVWAX-AOOOYVTPSA-N	-1	0	251.286	0.795	20	30		CCEDRM
N#CC1(NC(=O)c2ccc(OCC(=O)[O-])cc2)CC1	ZINC000739066218	820162749	/nfs/dbraw/zinc/16/27/49/820162749.db2.gz	IKAUCCPRFVXFLF-UHFFFAOYSA-N	-1	0	260.249	0.936	20	30		CCEDRM
C=CC[C@H](NC(=O)[C@H](OC)[C@H]1CCOC1)C(=O)[O-]	ZINC001118544675	820612413	/nfs/dbraw/zinc/61/24/13/820612413.db2.gz	JBTTWJRUZDOGIE-LPEHRKFASA-N	-1	0	257.286	0.183	20	30		CCEDRM
C=C(C)CNc1ccc(S(=O)(=O)[N-]C(C)=O)cn1	ZINC001155661723	822221615	/nfs/dbraw/zinc/22/16/15/822221615.db2.gz	FXVGPTHUBBIEHU-UHFFFAOYSA-N	-1	0	269.326	0.894	20	30		CCEDRM
N#CC1(CS(=O)(=O)[N-]C(=O)[C@@H]2CCCCO2)CC1	ZINC000793197396	837402627	/nfs/dbraw/zinc/40/26/27/837402627.db2.gz	RMVJNVLBRVHOSN-VIFPVBQESA-N	-1	0	272.326	0.305	20	30		CCEDRM
N#CC1(CS(=O)(=O)[N-]C(=O)c2cncc(F)c2)CC1	ZINC000793197290	837403170	/nfs/dbraw/zinc/40/31/70/837403170.db2.gz	QHPWGVHRAWPQOK-UHFFFAOYSA-N	-1	0	283.284	0.584	20	30		CCEDRM
C=CCOC[C@@H](CS(=O)(=O)[O-])OCOCCOC	ZINC001205283935	844104082	/nfs/dbraw/zinc/10/40/82/844104082.db2.gz	BVTTZFQIHXUROD-JTQLQIEISA-N	-1	0	284.330	0.083	20	30		CCEDRM
Cc1nnc(-c2cnn(CC(=O)[O-])c2)c(C#N)c1C	ZINC001242181529	835992764	/nfs/dbraw/zinc/99/27/64/835992764.db2.gz	DQMLYYWEZGVIHH-UHFFFAOYSA-N	-1	0	257.253	0.913	20	30		CCEDRM
COc1nc(C)nc(NCc2cc(=O)[n-]o2)c1C#N	ZINC001169482277	836291826	/nfs/dbraw/zinc/29/18/26/836291826.db2.gz	ZSCCGXDLWBFAKI-UHFFFAOYSA-N	-1	0	261.241	0.971	20	30		CCEDRM
O=C(CCC(=O)N1CC[C@@H](CO)[C@H](O)C1)C1=CC=C[CH]1	ZINC001184245529	844187472	/nfs/dbraw/zinc/18/74/72/844187472.db2.gz	XMZDVUORLGJVSP-GXTWGEPZSA-N	-1	0	278.328	0.238	20	30		CCEDRM
NC(=O)[C@@H]1CCN(C(=O)CCC(=O)C2=CC=C[CH]2)C1	ZINC001184244625	844187709	/nfs/dbraw/zinc/18/77/09/844187709.db2.gz	XCDRYLFFQVJZMN-LLVKDONJSA-N	-1	0	261.301	0.370	20	30		CCEDRM
C=C[C@H](CC)CC(=O)N1CCN(Cc2n[nH]c(=O)[n-]2)CC1	ZINC001113246759	837065343	/nfs/dbraw/zinc/06/53/43/837065343.db2.gz	UEEDNTFZJLJVDR-LLVKDONJSA-N	-1	0	293.371	0.757	20	30		CCEDRM
Cc1n[nH]c(C(=O)N[C@H](C)C[C@H](C)NCC#N)c1[O-]	ZINC001134094863	838864607	/nfs/dbraw/zinc/86/46/07/838864607.db2.gz	MFMBNYMOHFWRLL-JGVFFNPUSA-N	-1	0	265.317	0.434	20	30		CCEDRM
CNC(=O)/C=C/C(=O)Nc1cc(C#N)c(F)cc1[O-]	ZINC001144088884	839926077	/nfs/dbraw/zinc/92/60/77/839926077.db2.gz	QSIHATIQXCXVGR-NSCUHMNNSA-N	-1	0	263.228	0.644	20	30		CCEDRM
N=C(c1nonc1N)N(O)C(=O)c1cccc([S-])c1	ZINC001186131555	844516023	/nfs/dbraw/zinc/51/60/23/844516023.db2.gz	JWUVCGBCCQJSJZ-UHFFFAOYSA-N	-1	0	279.281	0.797	20	30		CCEDRM
N#Cc1ncn(CC(=O)[N-]Oc2ccc(F)cc2)n1	ZINC001146551773	840323465	/nfs/dbraw/zinc/32/34/65/840323465.db2.gz	OFPYWJDAVFARJY-UHFFFAOYSA-N	-1	0	261.216	0.399	20	30		CCEDRM
CC[C@H](CC#N)NS(=O)(=O)c1ccc(C)nn1	ZINC000712816446	841111603	/nfs/dbraw/zinc/11/16/03/841111603.db2.gz	GCVJJIWYCAGWNJ-SECBINFHSA-N	-1	0	254.315	0.756	20	30		CCEDRM
C#CCCC1(CCNC(=O)Cn2nn[n-]c2=S)N=N1	ZINC001177745996	842665917	/nfs/dbraw/zinc/66/59/17/842665917.db2.gz	MFKHQECQIRMYCI-UHFFFAOYSA-N	-1	0	279.329	0.044	20	30		CCEDRM
CC#CCCCC(=O)N[C@@H](COC)c1nnn[n-]1	ZINC001177827400	842672076	/nfs/dbraw/zinc/67/20/76/842672076.db2.gz	FZNFOYJYKANSKA-VIFPVBQESA-N	-1	0	251.290	0.197	20	30		CCEDRM
C=CC[C@H](NC(=O)[C@H]1CC(=O)N(C2CC2)C1)C(=O)[O-]	ZINC000150145847	842996265	/nfs/dbraw/zinc/99/62/65/842996265.db2.gz	RRHZCVKQLVKJQV-WPRPVWTQSA-N	-1	0	266.297	0.143	20	30		CCEDRM
C=C(C)C[C@H](NC(C)=O)C(=O)N[C@H](C)c1nn(C)cc1[O-]	ZINC001179926900	843080695	/nfs/dbraw/zinc/08/06/95/843080695.db2.gz	PKTNQNJZXAXTRO-KOLCDFICSA-N	-1	0	294.355	0.774	20	30		CCEDRM
N#Cc1cnc(NC(=O)C(F)(F)C(F)(F)C(=O)[O-])cn1	ZINC001180170769	843114943	/nfs/dbraw/zinc/11/49/43/843114943.db2.gz	MASSKVARWWKWIY-UHFFFAOYSA-N	-1	0	292.148	0.642	20	30		CCEDRM
COc1ccc(C#CC(=O)N[C@H]2SC(=O)[N-]C2=O)cc1	ZINC001182048274	843697836	/nfs/dbraw/zinc/69/78/36/843697836.db2.gz	ITMGUYSIKPEQBD-LBPRGKRZSA-N	-1	0	290.300	0.472	20	30		CCEDRM
N#Cc1cc(NC(=O)[C@H]2C[C@H]2C(N)=O)c([O-])cc1F	ZINC001182382828	843782072	/nfs/dbraw/zinc/78/20/72/843782072.db2.gz	LVDCTUOEZXUPPR-RQJHMYQMSA-N	-1	0	263.228	0.463	20	30		CCEDRM
C#CC(C)(C)C(=O)Nc1n[nH]c(SC)c1C(N)=O	ZINC001182633873	843868356	/nfs/dbraw/zinc/86/83/56/843868356.db2.gz	FZDGKSQZMSRTBA-UHFFFAOYSA-N	-1	0	266.326	0.828	20	30		CCEDRM
C#Cc1cc(NC([O-])=C(CO)C(F)(F)F)ccn1	ZINC001183280490	843990074	/nfs/dbraw/zinc/99/00/74/843990074.db2.gz	URARNCWNJZUPOB-SECBINFHSA-N	-1	0	258.199	0.594	20	30		CCEDRM
COCC#CC(=O)Nc1nc[n-]c(=O)c1Br	ZINC001187122861	844653700	/nfs/dbraw/zinc/65/37/00/844653700.db2.gz	DSJNUOZVPFIMIA-UHFFFAOYSA-N	-1	0	286.085	0.533	20	30		CCEDRM
Nc1nonc1C(=Nc1ccc(C(=O)[O-])cc1F)NO	ZINC001203284112	845152527	/nfs/dbraw/zinc/15/25/27/845152527.db2.gz	UBSQOCLHHXADGC-UHFFFAOYSA-N	-1	0	281.203	0.546	20	30		CCEDRM
N#Cc1ccc(C(=O)NC2C(=O)N=CN=C2[O-])nc1	ZINC001190584877	845440331	/nfs/dbraw/zinc/44/03/31/845440331.db2.gz	VCTJUKXPBYKNAM-UHFFFAOYSA-N	-1	0	257.209	0.407	20	30		CCEDRM
CC[C@H](CO)NS(=O)(=O)c1cc(C#N)ccc1F	ZINC001190607944	845443942	/nfs/dbraw/zinc/44/39/42/845443942.db2.gz	FFUQZNOPAUGTCD-SECBINFHSA-N	-1	0	272.301	0.747	20	30		CCEDRM
C=CC[C@@](C)(NS(=O)(=O)c1ncc[n-]1)C(=O)OC	ZINC001190762556	845476270	/nfs/dbraw/zinc/47/62/70/845476270.db2.gz	LZDKHERVRYRDOW-SNVBAGLBSA-N	-1	0	273.314	0.196	20	30		CCEDRM
C=C[C@@H]1C[C@@]1(NS(=O)(=O)c1ncc[n-]1)C(=O)OCC	ZINC001190748579	845489682	/nfs/dbraw/zinc/48/96/82/845489682.db2.gz	DKRVFPXQZAJNBQ-KCJUWKMLSA-N	-1	0	285.325	0.196	20	30		CCEDRM
C=CCC1(S(=O)(=O)[N-][C@H](C#N)C(=O)OCC)CC1	ZINC001190832727	845514712	/nfs/dbraw/zinc/51/47/12/845514712.db2.gz	GEDFZDUHKUEBRC-SECBINFHSA-N	-1	0	272.326	0.470	20	30		CCEDRM
CC(C)(O)C#Cc1ccc(C(=O)NCc2nnn[n-]2)cc1	ZINC001191188833	845613667	/nfs/dbraw/zinc/61/36/67/845613667.db2.gz	KEWXZMMTUUQEHX-UHFFFAOYSA-N	-1	0	285.307	0.252	20	30		CCEDRM
N#CCS(=O)(=O)[N-]c1nccnc1C(F)(F)F	ZINC001192944108	845931317	/nfs/dbraw/zinc/93/13/17/845931317.db2.gz	ZBEXRFNOLHKADL-UHFFFAOYSA-N	-1	0	266.204	0.761	20	30		CCEDRM
CCOC(=O)c1cccnc1[N-]S(=O)(=O)CC#N	ZINC001192934928	845940221	/nfs/dbraw/zinc/94/02/21/845940221.db2.gz	GWPWXGLZEUZJKZ-UHFFFAOYSA-N	-1	0	269.282	0.524	20	30		CCEDRM
N#CCS(=O)(=O)[N-]CC(F)(F)c1ccccn1	ZINC001192995752	845950090	/nfs/dbraw/zinc/95/00/90/845950090.db2.gz	LDKFCVYGBPKFFX-UHFFFAOYSA-N	-1	0	261.253	0.616	20	30		CCEDRM
CN(C)C(=O)c1ccccc1[N-]S(=O)(=O)CC#N	ZINC001192972206	845957570	/nfs/dbraw/zinc/95/75/70/845957570.db2.gz	OJQHYVRMUBGAEC-UHFFFAOYSA-N	-1	0	267.310	0.654	20	30		CCEDRM
CCOc1nccnc1[N-]S(=O)(=O)[C@@H](C)C#N	ZINC001193104588	845978730	/nfs/dbraw/zinc/97/87/30/845978730.db2.gz	LBIBPDLDTJBCSY-ZETCQYMHSA-N	-1	0	256.287	0.529	20	30		CCEDRM
COC(=O)c1c([N-]S(=O)(=O)[C@H](C)C#N)cncc1OC	ZINC001193112325	845980889	/nfs/dbraw/zinc/98/08/89/845980889.db2.gz	RBOJOWPEDPHNIE-SSDOTTSWSA-N	-1	0	299.308	0.531	20	30		CCEDRM
C[C@H](C#N)S(=O)(=O)[N-]c1cnc2c(c1)COCC2	ZINC001193095202	845993216	/nfs/dbraw/zinc/99/32/16/845993216.db2.gz	RSWHOPXUSQKYSX-MRVPVSSYSA-N	-1	0	267.310	0.808	20	30		CCEDRM
C[C@@H](C#N)S(=O)(=O)[N-]c1ccccc1S(C)(=O)=O	ZINC001193147147	846005202	/nfs/dbraw/zinc/00/52/02/846005202.db2.gz	YGIOTNSJMVJCHH-QMMMGPOBSA-N	-1	0	288.350	0.744	20	30		CCEDRM
N#C[C@H]1CNCCN1C(=O)c1ccc(O)c(O)c1Cl	ZINC001193220348	846023631	/nfs/dbraw/zinc/02/36/31/846023631.db2.gz	SSBAITSZTGFKBW-ZETCQYMHSA-N	-1	0	281.699	0.689	20	30		CCEDRM
CNC(=O)c1cc(C#N)cc(C)c1NC(=O)c1cc(=O)[nH][n-]1	ZINC001193472938	846086178	/nfs/dbraw/zinc/08/61/78/846086178.db2.gz	ISHONNBVCORPJK-UHFFFAOYSA-N	-1	0	299.290	0.907	20	30		CCEDRM
COC(=O)[C@@H]1C[C@H](F)CN1C(=O)c1ccc([O-])c(C#N)c1	ZINC001193505781	846101008	/nfs/dbraw/zinc/10/10/08/846101008.db2.gz	IHLGOPWEVAQLPE-QWRGUYRKSA-N	-1	0	292.266	0.989	20	30		CCEDRM
N#Cc1cc(C(=O)N2CC[C@@H](O)[C@H](CO)C2)ccc1[O-]	ZINC001193507292	846101887	/nfs/dbraw/zinc/10/18/87/846101887.db2.gz	VBUPGNCDBUDVER-WCQYABFASA-N	-1	0	276.292	0.079	20	30		CCEDRM
N#Cc1cc(C(=O)NC2CC(CO)(CO)C2)ccc1[O-]	ZINC001193514506	846102995	/nfs/dbraw/zinc/10/29/95/846102995.db2.gz	FIRZXOQXXHVNJC-UHFFFAOYSA-N	-1	0	276.292	0.127	20	30		CCEDRM
Cn1ccnc1S(=O)(=O)[N-]c1ccc(C#N)nc1	ZINC001193556619	846117811	/nfs/dbraw/zinc/11/78/11/846117811.db2.gz	GOMCAQGMSKCSOZ-UHFFFAOYSA-N	-1	0	263.282	0.488	20	30		CCEDRM
CN1CCN(C(=O)c2cccc(C#N)c2[O-])CC1=O	ZINC001193635719	846131278	/nfs/dbraw/zinc/13/12/78/846131278.db2.gz	ZHGHGZDAUYKGFX-UHFFFAOYSA-N	-1	0	259.265	0.178	20	30		CCEDRM
CC(=O)NC[C@@H](C)CNC(=O)c1cccc(C#N)c1[O-]	ZINC001193658729	846140387	/nfs/dbraw/zinc/14/03/87/846140387.db2.gz	FODQKKMBRBJIPV-SECBINFHSA-N	-1	0	275.308	0.766	20	30		CCEDRM
Cc1ccc(C(=NC(=O)c2cc(=O)n(C)[n-]2)NO)nc1	ZINC001194212385	846241984	/nfs/dbraw/zinc/24/19/84/846241984.db2.gz	QRLGERIJTKUUCD-UHFFFAOYSA-N	-1	0	275.268	0.395	20	30		CCEDRM
CN1CCO[C@H](CNC(=O)c2ccc(C#N)cc2[O-])C1	ZINC001195757305	846610815	/nfs/dbraw/zinc/61/08/15/846610815.db2.gz	ARSSAMYFDKXAOF-LLVKDONJSA-N	-1	0	275.308	0.324	20	30		CCEDRM
N#Cc1ccc(C(=O)n2cc(F)c(=O)nc2N)c([O-])c1	ZINC001195759185	846611990	/nfs/dbraw/zinc/61/19/90/846611990.db2.gz	YQBSKYQPPRFVSZ-UHFFFAOYSA-N	-1	0	274.211	0.473	20	30		CCEDRM
CN1C[C@@H](NC(=O)c2ccc(C#N)cc2[O-])CCC1=O	ZINC001195764162	846614209	/nfs/dbraw/zinc/61/42/09/846614209.db2.gz	HHBXFVURWITXFV-JTQLQIEISA-N	-1	0	273.292	0.614	20	30		CCEDRM
COC(=O)CCCS(=O)(=O)[N-]c1cccnc1C#N	ZINC001201904162	847830692	/nfs/dbraw/zinc/83/06/92/847830692.db2.gz	VGUXVDNNGVVWDZ-UHFFFAOYSA-N	-1	0	283.309	0.648	20	30		CCEDRM
C#CC[C@H](CO)[N-]S(=O)(=O)c1c(F)cccc1F	ZINC000717784904	848390185	/nfs/dbraw/zinc/39/01/85/848390185.db2.gz	UCFOSYQXYVKFOH-MRVPVSSYSA-N	-1	0	275.276	0.627	20	30		CCEDRM
N#Cc1cc(C(=O)N2CC[C@H]3C[C@]32C(N)=O)ccc1[O-]	ZINC001276156607	848942739	/nfs/dbraw/zinc/94/27/39/848942739.db2.gz	VVLLQGSWMCDKLB-IINYFYTJSA-N	-1	0	271.276	0.354	20	30		CCEDRM
C#CC[N@H+](C)CCCNC(=O)N[C@H](C(=O)[O-])C1CC1	ZINC000380912733	849696448	/nfs/dbraw/zinc/69/64/48/849696448.db2.gz	JWICLHXVWVHARF-NSHDSACASA-N	-1	0	267.329	0.104	20	30		CCEDRM
N#Cc1cccc(NC(=O)NCS(=O)(=O)[O-])c1	ZINC001202790035	849777358	/nfs/dbraw/zinc/77/73/58/849777358.db2.gz	NFLYNQZOXSOYAQ-UHFFFAOYSA-N	-1	0	255.255	0.525	20	30		CCEDRM
COCCS(=O)(=O)[N-]c1nc(Cl)ccc1C#N	ZINC001259966121	851920710	/nfs/dbraw/zinc/92/07/10/851920710.db2.gz	LLMFMTBCPLOGGH-UHFFFAOYSA-N	-1	0	275.717	0.995	20	30		CCEDRM
C#CC[C@H](NC(=O)[C@@H](C)NC(=O)c1ccccc1)C(=O)[O-]	ZINC000149555167	853986969	/nfs/dbraw/zinc/98/69/69/853986969.db2.gz	RYFAYGUCIYJMOW-PWSUYJOCSA-N	-1	0	288.303	0.398	20	30		CCEDRM
C#CC[C@@H](NC(=O)[C@H](C)NC(=O)c1cccs1)C(=O)[O-]	ZINC000149596382	853989328	/nfs/dbraw/zinc/98/93/28/853989328.db2.gz	NJYUGZIVZQCEDD-DTWKUNHWSA-N	-1	0	294.332	0.459	20	30		CCEDRM
C#CC[C@H](NC(=O)c1ccnc(N(C)C)c1)C(=O)[O-]	ZINC000149967913	854009408	/nfs/dbraw/zinc/00/94/08/854009408.db2.gz	KIAGFDYDZWQUCQ-JTQLQIEISA-N	-1	0	261.281	0.354	20	30		CCEDRM
C#CC[C@H](NC(=O)c1sccc1OC)C(=O)[O-]	ZINC000149985483	854011924	/nfs/dbraw/zinc/01/19/24/854011924.db2.gz	CSKBJSPFLHXIHA-ZETCQYMHSA-N	-1	0	253.279	0.963	20	30		CCEDRM
Cn1nc(Br)cc1C=NNCC(=O)[O-]	ZINC000393938043	854140307	/nfs/dbraw/zinc/14/03/07/854140307.db2.gz	STXLGDSVLGOSOG-UHFFFAOYSA-N	-1	0	261.079	0.191	20	30		CCEDRM
C=CCC[C@H](NS(=O)(=O)[C@H](C)COC)C(=O)[O-]	ZINC000399668567	854520338	/nfs/dbraw/zinc/52/03/38/854520338.db2.gz	QWJJXQGQHAKCDC-BDAKNGLRSA-N	-1	0	265.331	0.360	20	30		CCEDRM
Cc1n[nH]c(C(=O)NCC[C@@H]2CN(CC#N)C[C@H]2C)c1[O-]	ZINC001102866616	855476365	/nfs/dbraw/zinc/47/63/65/855476365.db2.gz	YEZBOSXXHRTHLA-MWLCHTKSSA-N	-1	0	291.355	0.635	20	30		CCEDRM
Cc1nnsc1C=Nn1c(=O)c(C)n[n-]c1=S	ZINC001117735573	856065011	/nfs/dbraw/zinc/06/50/11/856065011.db2.gz	HYCPDTOUSVRHSP-UHFFFAOYSA-N	-1	0	268.327	0.278	20	30		CCEDRM
C=CC[C@H](NC(=O)c1cnc([C@H](C)O)s1)C(=O)[O-]	ZINC001119643721	856803257	/nfs/dbraw/zinc/80/32/57/856803257.db2.gz	GGLVLQDWZBAWEY-BQBZGAKWSA-N	-1	0	270.310	0.956	20	30		CCEDRM
C=CC[C@H](NC(=O)Cn1ccc(C(F)F)n1)C(=O)[O-]	ZINC001119644444	856805432	/nfs/dbraw/zinc/80/54/32/856805432.db2.gz	KGPSYIUGVKIKDJ-QMMMGPOBSA-N	-1	0	273.239	0.966	20	30		CCEDRM
C=CC[C@@H](NC(=O)C1(O)CCSCC1)C(=O)[O-]	ZINC001119645567	856805665	/nfs/dbraw/zinc/80/56/65/856805665.db2.gz	VTMBZQLPQBHZRY-MRVPVSSYSA-N	-1	0	259.327	0.390	20	30		CCEDRM
C#CC[NH+]1CCC(C(=O)NCCc2n[n-]c(=S)o2)CC1	ZINC001324257468	912742916	/nfs/dbraw/zinc/74/29/16/912742916.db2.gz	YYGQIFCUXCOEPM-UHFFFAOYSA-N	-1	0	294.380	0.362	20	30		CCEDRM
Cc1nnc(NN=Cc2ccccc2C(N)=O)[n-]c1=O	ZINC001324463638	912858933	/nfs/dbraw/zinc/85/89/33/912858933.db2.gz	YKPIRTXECNAZKR-UHFFFAOYSA-N	-1	0	272.268	0.431	20	30		CCEDRM
C=CCC1(C(=O)NCc2n[nH]c(=O)[n-]2)CCOCC1	ZINC001326158788	913782376	/nfs/dbraw/zinc/78/23/76/913782376.db2.gz	DRAVZKLHXMBNGT-UHFFFAOYSA-N	-1	0	266.301	0.499	20	30		CCEDRM
Cc1nn2c(S[C@H]3CC[C@H](C#N)C3)n[n-]c2nc1=O	ZINC001364275244	894003686	/nfs/dbraw/zinc/00/36/86/894003686.db2.gz	AKJDPBGCVRBODY-YUMQZZPRSA-N	-1	0	276.325	0.905	20	30		CCEDRM
CCCO[N-]C(=O)C(=O)N1CCc2ccc(C#N)cc21	ZINC001326368936	913918396	/nfs/dbraw/zinc/91/83/96/913918396.db2.gz	NOSZFRNUFDCKMY-UHFFFAOYSA-N	-1	0	273.292	0.905	20	30		CCEDRM
COC(=O)c1cc([N-]S(=O)(=O)[C@@H](C)C#N)cn1C	ZINC001193107637	900034534	/nfs/dbraw/zinc/03/45/34/900034534.db2.gz	YXXNVHDCRVJRCR-ZETCQYMHSA-N	-1	0	271.298	0.465	20	30		CCEDRM
N#CCCN(CCC#N)C(=O)c1c[n-]n2c1nccc2=O	ZINC001411668312	901189200	/nfs/dbraw/zinc/18/92/00/901189200.db2.gz	VJMJVEZGQFEKOD-UHFFFAOYSA-N	-1	0	284.279	0.292	20	30		CCEDRM
N#Cc1ccncc1C(=O)N1CCC[C@@H](c2nnn[n-]2)C1	ZINC001412056689	901430025	/nfs/dbraw/zinc/43/00/25/901430025.db2.gz	JLYAMIJBCAMTSX-SNVBAGLBSA-N	-1	0	283.295	0.486	20	30		CCEDRM
C[C@@H](C(=O)Nc1nc(C#N)c(C#N)[n-]1)[C@H]1CCC(=O)N1	ZINC001412291684	901624576	/nfs/dbraw/zinc/62/45/76/901624576.db2.gz	KUZLCIPAISXGLQ-RNFRBKRXSA-N	-1	0	272.268	0.006	20	30		CCEDRM
Cc1cc(C#N)c(=O)[n-]c1C(=O)NCc1cncnc1N	ZINC001412675218	901930930	/nfs/dbraw/zinc/93/09/30/901930930.db2.gz	NZIASKSCVPZCDA-UHFFFAOYSA-N	-1	0	284.279	0.270	20	30		CCEDRM
CN(C)C(=O)[C@H]1CC12CN(C(=O)c1cccc(C#N)c1[O-])C2	ZINC001276216010	901973427	/nfs/dbraw/zinc/97/34/27/901973427.db2.gz	VMTLGSJSFWGIAW-GFCCVEGCSA-N	-1	0	299.330	0.814	20	30		CCEDRM
N#Cc1cccc(C(=O)N[C@@H]2[C@H]3CC[C@H](C3)[C@@H]2C(N)=O)c1[O-]	ZINC001276216180	901974132	/nfs/dbraw/zinc/97/41/32/901974132.db2.gz	XZAWUNWDMIKZMS-FIDNZITISA-N	-1	0	299.330	0.894	20	30		CCEDRM
CC[C@@H](Nc1[n-]c(=O)n(C)c(=O)c1C#N)c1noc(C)n1	ZINC001412872676	902323457	/nfs/dbraw/zinc/32/34/57/902323457.db2.gz	SZWNDMGLYJQNRQ-MRVPVSSYSA-N	-1	0	290.283	0.200	20	30		CCEDRM
Nc1nonc1C(=Nc1ccc(F)cc1[O-])NO	ZINC001210014639	903817061	/nfs/dbraw/zinc/81/70/61/903817061.db2.gz	MIXVBNIGJPHXFE-UHFFFAOYSA-N	-1	0	253.193	0.554	20	30		CCEDRM
N#CCSCC(=O)[N-]S(=O)(=O)C[C@H]1CCCOC1	ZINC001327885829	914836520	/nfs/dbraw/zinc/83/65/20/914836520.db2.gz	JOBVXKNCEOGMPS-VIFPVBQESA-N	-1	0	292.382	0.116	20	30		CCEDRM
CC[C@](C)(C#N)NC(=O)c1cccc(-n2[n-]nnc2=N)c1	ZINC001292649966	906315847	/nfs/dbraw/zinc/31/58/47/906315847.db2.gz	FSFVZEKVWUVDQJ-CYBMUJFWSA-N	-1	0	285.311	0.497	20	30		CCEDRM
C[C@@]1(C(=O)Nc2cc(C#N)ccc2[O-])CCNC1=O	ZINC001295828098	906810729	/nfs/dbraw/zinc/81/07/29/906810729.db2.gz	MAQNFXXUHFOUJM-CYBMUJFWSA-N	-1	0	259.265	0.729	20	30		CCEDRM
O=C(/C=C/c1ccc(F)cc1)C(=O)[N-]OCCO	ZINC001296720563	906952389	/nfs/dbraw/zinc/95/23/89/906952389.db2.gz	OXZYROUJFWKDHU-ZZXKWVIFSA-N	-1	0	253.229	0.448	20	30		CCEDRM
CCn1cnc(C=Nn2c(=O)c(C)n[n-]c2=S)c1	ZINC001337761654	921291811	/nfs/dbraw/zinc/29/18/11/921291811.db2.gz	DPFRLMLBSQBTPW-UHFFFAOYSA-N	-1	0	264.314	0.334	20	30		CCEDRM
Cn1c(=O)[n-]c(N2CCC=C(Cl)C2)c(C#N)c1=O	ZINC001338028164	921344488	/nfs/dbraw/zinc/34/44/88/921344488.db2.gz	NTOJCDQVSOJGLB-UHFFFAOYSA-N	-1	0	266.688	0.278	20	30		CCEDRM
N#Cc1c[n-]n2c1nc(CN1CC=C[C@H]1CO)cc2=O	ZINC001308031501	908368378	/nfs/dbraw/zinc/36/83/78/908368378.db2.gz	IOZWRAOKDRULBV-NSHDSACASA-N	-1	0	271.280	0.039	20	30		CCEDRM
N#Cc1ccc(C(=O)[N-]S(=O)(=O)C(F)F)cn1	ZINC001318634160	909843260	/nfs/dbraw/zinc/84/32/60/909843260.db2.gz	MWIQTZPEIXYKJM-UHFFFAOYSA-N	-1	0	261.209	0.235	20	30		CCEDRM
CC[C@@H]1[C@@H](NC(=O)[C@H](C)C#N)CCN1Cc1n[nH]c(=O)[n-]1	ZINC001417823384	921632099	/nfs/dbraw/zinc/63/20/99/921632099.db2.gz	SCDMFSCEKDOPOK-KXUCPTDWSA-N	-1	0	292.343	0.139	20	30		CCEDRM
Cc1nc(-c2ncccn2)[n-]c(=O)c1CC(=O)N[C@@H](C)C#N	ZINC001339079105	921645510	/nfs/dbraw/zinc/64/55/10/921645510.db2.gz	JXWUMEBMQDGPNL-QMMMGPOBSA-N	-1	0	298.306	0.518	20	30		CCEDRM
C=CC[C@@H](NC(=O)c1ccc2c(c1)nnn2C)C(=O)[O-]	ZINC001322602646	911878588	/nfs/dbraw/zinc/87/85/88/911878588.db2.gz	UFPOXUNDKPDUPV-SECBINFHSA-N	-1	0	274.280	0.727	20	30		CCEDRM
C=CC[C@@H](NC(=O)[C@H](O)c1cccnc1)C(=O)[O-]	ZINC001339523980	921749934	/nfs/dbraw/zinc/74/99/34/921749934.db2.gz	NXFCVQMXJLMWOE-NXEZZACHSA-N	-1	0	250.254	0.261	20	30		CCEDRM
C=CCO[N-]C(=O)c1cn(CCOC)c(C)cc1=O	ZINC001328746928	915406015	/nfs/dbraw/zinc/40/60/15/915406015.db2.gz	ZYWNRRWIZNCKEU-UHFFFAOYSA-N	-1	0	266.297	0.651	20	30		CCEDRM
C#CCCN1CCN(C(=O)[C@H]2CC[C@H]2C(=O)[O-])CC1	ZINC001339604240	921774184	/nfs/dbraw/zinc/77/41/84/921774184.db2.gz	ZRIQWPNCVYWTFD-NWDGAFQWSA-N	-1	0	264.325	0.265	20	30		CCEDRM
C#CCCN1CCN(C(=O)CCCC(=O)[O-])CC1	ZINC001339604070	921775096	/nfs/dbraw/zinc/77/50/96/921775096.db2.gz	XGLUKFHKLJDQEK-UHFFFAOYSA-N	-1	0	252.314	0.409	20	30		CCEDRM
C=CCO[N-]C(=O)C(=O)Nc1cnn(CCF)c1	ZINC001329020365	915596092	/nfs/dbraw/zinc/59/60/92/915596092.db2.gz	ZJIQLYAVFGYPLW-UHFFFAOYSA-N	-1	0	256.237	0.025	20	30		CCEDRM
C=CC[C@@H](NC(=O)[C@H](OCC)C1CCOCC1)C(=O)[O-]	ZINC001329288246	915794168	/nfs/dbraw/zinc/79/41/68/915794168.db2.gz	NSGJFJMFTUVFQW-VXGBXAGGSA-N	-1	0	285.340	0.964	20	30		CCEDRM
C#C[C@H](NC(=O)NCCOCCOCC(=O)[O-])C(C)C	ZINC001339724366	921805800	/nfs/dbraw/zinc/80/58/00/921805800.db2.gz	KDPATQKEGZAGSV-NSHDSACASA-N	-1	0	286.328	0.061	20	30		CCEDRM
C=CC[C@@H](NC(=O)c1cn(C2CC2)nn1)C(=O)[O-]	ZINC001329655665	916102249	/nfs/dbraw/zinc/10/22/49/916102249.db2.gz	GGMCWJHFLOTOTG-MRVPVSSYSA-N	-1	0	250.258	0.372	20	30		CCEDRM
C=CCCCC(=O)[N-]S(=O)(=O)N(C)CC(=O)OCC	ZINC001331976605	917772878	/nfs/dbraw/zinc/77/28/78/917772878.db2.gz	ULBKNHVISNVADX-UHFFFAOYSA-N	-1	0	292.357	0.199	20	30		CCEDRM
C=CC[C@@H](NC(=O)NCCC1(O)CCC1)C(=O)[O-]	ZINC001332133158	917889981	/nfs/dbraw/zinc/88/99/81/917889981.db2.gz	VEVRHJDWVHLHJZ-SECBINFHSA-N	-1	0	256.302	0.620	20	30		CCEDRM
C=CCC[C@@H](NC(=O)CCc1ccn(C)n1)C(=O)[O-]	ZINC001332134995	917891469	/nfs/dbraw/zinc/89/14/69/917891469.db2.gz	FJPGUSRNDDXPSK-LLVKDONJSA-N	-1	0	265.313	0.888	20	30		CCEDRM
C=CCOC[C@@H](NC(=O)Cc1cccnc1C)C(=O)[O-]	ZINC001332146773	917904220	/nfs/dbraw/zinc/90/42/20/917904220.db2.gz	DANTUZQGHNDLRP-GFCCVEGCSA-N	-1	0	278.308	0.705	20	30		CCEDRM
C#CC[C@@H](NC(=O)[C@H]1COc2ccc(F)cc2C1)C(=O)[O-]	ZINC001334201326	919421731	/nfs/dbraw/zinc/42/17/31/919421731.db2.gz	GYDBQQHVQOYEFL-ZYHUDNBSSA-N	-1	0	291.278	0.970	20	30		CCEDRM
C#C[C@@H]([N-]S(=O)(=O)c1cc(C(=O)OC)no1)C(C)C	ZINC001334956258	919864529	/nfs/dbraw/zinc/86/45/29/919864529.db2.gz	DRXZLXDVOGAOJR-MRVPVSSYSA-N	-1	0	286.309	0.397	20	30		CCEDRM
C=CCOC[C@@H](NC(=O)c1ncc(C)cc1OC)C(=O)[O-]	ZINC001334981043	919881804	/nfs/dbraw/zinc/88/18/04/919881804.db2.gz	OMAMEQMFNBBPDE-SNVBAGLBSA-N	-1	0	294.307	0.784	20	30		CCEDRM
C=C(C)CCC(=O)N1CCO[C@H](c2nnn[n-]2)C1	ZINC001335790716	920435697	/nfs/dbraw/zinc/43/56/97/920435697.db2.gz	SSJJUSOBCXJJBR-VIFPVBQESA-N	-1	0	251.290	0.456	20	30		CCEDRM
CCCCOCCNc1[n-]c(=O)n(C)c(=O)c1C#N	ZINC001336500357	920804808	/nfs/dbraw/zinc/80/48/08/920804808.db2.gz	BXSWHOQDKIIXMO-UHFFFAOYSA-N	-1	0	266.301	0.174	20	30		CCEDRM
CC(C)CCOCCNc1[n-]c(=O)n(C)c(=O)c1C#N	ZINC001336502165	920805663	/nfs/dbraw/zinc/80/56/63/920805663.db2.gz	SIMXZMZTVBZGLR-UHFFFAOYSA-N	-1	0	280.328	0.420	20	30		CCEDRM
CCCC[C@@H](C)N(C)c1[n-]c(=O)n(C)c(=O)c1C#N	ZINC001336634807	920888674	/nfs/dbraw/zinc/88/86/74/920888674.db2.gz	VZXVCBPDOYKPCV-SECBINFHSA-N	-1	0	264.329	0.960	20	30		CCEDRM
C=CC[C@H](NC(=O)[C@@H]1CCCN1C(=O)CCC)C(=O)[O-]	ZINC001339864651	921859272	/nfs/dbraw/zinc/85/92/72/921859272.db2.gz	CYWVNNPTJHRVFU-QWRGUYRKSA-N	-1	0	282.340	0.923	20	30		CCEDRM
Cn1c(C#N)ccc1C(=O)NCc1nc([O-])cc(=O)[nH]1	ZINC001418624587	922315070	/nfs/dbraw/zinc/31/50/70/922315070.db2.gz	QALQLOYLDMJLRE-UHFFFAOYSA-N	-1	0	273.252	0.028	20	30		CCEDRM
C[C@H](CC1CCC1)NC(=O)Cn1cc(C#N)c(=O)[n-]c1=O	ZINC001418734566	922392275	/nfs/dbraw/zinc/39/22/75/922392275.db2.gz	ULJJCQAPILGABJ-SECBINFHSA-N	-1	0	290.323	0.515	20	30		CCEDRM
C=CCCOCCCCC(=O)NCc1nc(=O)o[n-]1	ZINC001341776637	922668407	/nfs/dbraw/zinc/66/84/07/922668407.db2.gz	SJXBMEUXJWTBQK-UHFFFAOYSA-N	-1	0	269.301	0.742	20	30		CCEDRM
COCCCNC(=O)C(C#N)=C([O-])c1c(C)cnn1C	ZINC001341917045	922722887	/nfs/dbraw/zinc/72/28/87/922722887.db2.gz	DXBIFJKVPNMCGK-SNVBAGLBSA-N	-1	0	278.312	0.204	20	30		CCEDRM
N#CC(C(=O)Nc1ccccn1)=C([O-])c1coc(C(N)=O)c1	ZINC001342595093	923016109	/nfs/dbraw/zinc/01/61/09/923016109.db2.gz	HZJFTWCQCBEZPH-SECBINFHSA-N	-1	0	298.258	0.735	20	30		CCEDRM
CNC(=O)C(C#N)=C([O-])c1cccc2c1COCC2	ZINC001343401532	923303803	/nfs/dbraw/zinc/30/38/03/923303803.db2.gz	LJBRIQWKILAAFX-LLVKDONJSA-N	-1	0	258.277	0.828	20	30		CCEDRM
COc1nccc(C([O-])=C(C#N)C(=O)N2CCCC2)n1	ZINC001343474121	923339380	/nfs/dbraw/zinc/33/93/80/923339380.db2.gz	OVMCZCHFRCODNC-VIFPVBQESA-N	-1	0	274.280	0.430	20	30		CCEDRM
COc1ncccc1C([O-])=C(C#N)C(=O)NC1CC1	ZINC001343510595	923357038	/nfs/dbraw/zinc/35/70/38/923357038.db2.gz	RNPMPHGFMRWEBS-SNVBAGLBSA-N	-1	0	259.265	0.691	20	30		CCEDRM
C#C[C@@H](C)N(C)c1nnc(-c2cc(=O)[nH][n-]2)n1CC(C)C	ZINC001343539722	923368014	/nfs/dbraw/zinc/36/80/14/923368014.db2.gz	CKLMPUBTPDEZGK-SNVBAGLBSA-N	-1	0	288.355	0.616	20	30		CCEDRM
C#CCn1ccc(CN(CC)C(=O)c2n[nH]c(=O)[n-]2)n1	ZINC001344121939	923557074	/nfs/dbraw/zinc/55/70/74/923557074.db2.gz	YRFSGECORFNISV-UHFFFAOYSA-N	-1	0	274.284	0.002	20	30		CCEDRM
C=CC[C@@H](NC(=O)CCCC(=O)NCCC)C(=O)[O-]	ZINC001344551901	923635934	/nfs/dbraw/zinc/63/59/34/923635934.db2.gz	HEZGOQUQKMXQOE-SNVBAGLBSA-N	-1	0	270.329	0.828	20	30		CCEDRM
C=CCSCCNC(=O)C(=O)[N-]OC[C@@H]1CCOC1	ZINC001345463438	923894581	/nfs/dbraw/zinc/89/45/81/923894581.db2.gz	MUZKYYCQRCWXBF-SNVBAGLBSA-N	-1	0	288.369	0.106	20	30		CCEDRM
C=C[C@H](C)O[N-]C(=O)C(=O)Nc1cnn(CCOC)c1	ZINC001346205875	924110436	/nfs/dbraw/zinc/11/04/36/924110436.db2.gz	ACRITUHHYSLQLP-VIFPVBQESA-N	-1	0	282.300	0.090	20	30		CCEDRM
C#CCN(CC#C)c1nnc(-c2c[nH][nH]c2=O)n1CC1CC1	ZINC001347721759	924519279	/nfs/dbraw/zinc/51/92/79/924519279.db2.gz	UGEFDJNQSKAVLM-UHFFFAOYSA-N	-1	0	296.334	0.857	20	30		CCEDRM
C=C(C)CN1CCN([C@@]2(C(=O)[O-])CCOC2)CC1	ZINC001348437173	924687934	/nfs/dbraw/zinc/68/79/34/924687934.db2.gz	TVBGZVGODNCKES-ZDUSSCGKSA-N	-1	0	254.330	0.424	20	30		CCEDRM
C#CCCCC(=O)N[C@H](C(=O)[O-])[C@@H](O)c1ccncc1	ZINC001349944908	925102024	/nfs/dbraw/zinc/10/20/24/925102024.db2.gz	ROXJKDRZFGOABH-STQMWFEESA-N	-1	0	276.292	0.488	20	30		CCEDRM
C=C[C@@H](C)O[N-]C(=O)[C@@H](NC(=O)OC(C)(C)C)[C@@H](C)O	ZINC001349968249	925107362	/nfs/dbraw/zinc/10/73/62/925107362.db2.gz	BBPJLOIDNLFRHW-BBBLOLIVSA-N	-1	0	288.344	0.883	20	30		CCEDRM
C#CCN(CC1CC1)C(=O)c1cccc(-n2[n-]nnc2=N)c1	ZINC001352218300	925546377	/nfs/dbraw/zinc/54/63/77/925546377.db2.gz	YXTZYLAEFYDFGM-UHFFFAOYSA-N	-1	0	296.334	0.560	20	30		CCEDRM
CCc1nocc1CN(C)c1[n-]c(=O)n(C)c(=O)c1C#N	ZINC001413888516	926000267	/nfs/dbraw/zinc/00/02/67/926000267.db2.gz	NGRRQQPTOGVVRY-UHFFFAOYSA-N	-1	0	289.295	0.132	20	30		CCEDRM
Cn1c(=O)[n-]c(N[C@@H](CO)C2CCCCC2)c(C#N)c1=O	ZINC001472707974	926130391	/nfs/dbraw/zinc/13/03/91/926130391.db2.gz	IOPXSUMEWRYMHK-NSHDSACASA-N	-1	0	292.339	0.298	20	30		CCEDRM
COCCCNC(=O)C(C#N)=C([O-])c1cc(Cl)n(C)n1	ZINC001356219951	926355522	/nfs/dbraw/zinc/35/55/22/926355522.db2.gz	AOGSTZKSZPWKCX-MRVPVSSYSA-N	-1	0	298.730	0.549	20	30		CCEDRM
C=CC[C@H](NC(=O)CNC(=O)C(C)(C)C)C(=O)[O-]	ZINC000150144595	926946340	/nfs/dbraw/zinc/94/63/40/926946340.db2.gz	ZSWYKEYFDQRUSJ-QMMMGPOBSA-N	-1	0	256.302	0.294	20	30		CCEDRM
C=CC[C@H](NC(=O)c1c(C)c(C)n[nH]c1=O)C(=O)[O-]	ZINC000150151374	926948068	/nfs/dbraw/zinc/94/80/68/926948068.db2.gz	IAZWYRFNCGLAAF-QMMMGPOBSA-N	-1	0	265.269	0.146	20	30		CCEDRM
C=CC[C@@H](NC(=O)CNC(=O)c1cccs1)C(=O)[O-]	ZINC000150043718	926948288	/nfs/dbraw/zinc/94/82/88/926948288.db2.gz	ICMSRYLJTAWTMM-MRVPVSSYSA-N	-1	0	282.321	0.623	20	30		CCEDRM
N#Cc1cn(CCC(=O)Nc2nccs2)c(=O)[n-]c1=O	ZINC001361603296	927185956	/nfs/dbraw/zinc/18/59/56/927185956.db2.gz	RWRMYPRAOAIEFZ-UHFFFAOYSA-N	-1	0	291.292	0.306	20	30		CCEDRM
CSc1[n-]c(=O)c(C(=O)N2NC(=O)C[C@H]2C)cc1C#N	ZINC001361783944	927325720	/nfs/dbraw/zinc/32/57/20/927325720.db2.gz	XXVSOYDLYAIRJI-ZCFIWIBFSA-N	-1	0	292.320	0.646	20	30		CCEDRM
Cc1csc(NC(=O)Cn2cc(C#N)c(=O)[n-]c2=O)n1	ZINC001361816484	927353138	/nfs/dbraw/zinc/35/31/38/927353138.db2.gz	CQDVUSCNJAIQHG-UHFFFAOYSA-N	-1	0	291.292	0.224	20	30		CCEDRM
Cc1cc(NC(=O)CCCc2nnn[n-]2)n(CCC#N)n1	ZINC001361886998	927421732	/nfs/dbraw/zinc/42/17/32/927421732.db2.gz	FONYCNMLRPSMMO-UHFFFAOYSA-N	-1	0	288.315	0.580	20	30		CCEDRM
C[C@H]1CCCC[C@@H]1NC(=O)Cn1cc(C#N)c(=O)[n-]c1=O	ZINC001361999147	927508361	/nfs/dbraw/zinc/50/83/61/927508361.db2.gz	JDEPXJKNPYGNTI-ONGXEEELSA-N	-1	0	290.323	0.515	20	30		CCEDRM
Cc1ccc(CNC(=O)Cn2cc(C#N)c(=O)[n-]c2=O)o1	ZINC001363162851	928936038	/nfs/dbraw/zinc/93/60/38/928936038.db2.gz	CUVPKBFGSSSZMM-UHFFFAOYSA-N	-1	0	288.263	0.038	20	30		CCEDRM
N#Cc1c[n-]c(=O)n(Cc2cc(CO)ccc2F)c1=O	ZINC001363185708	928956425	/nfs/dbraw/zinc/95/64/25/928956425.db2.gz	RDRPZCXEEKIWOI-UHFFFAOYSA-N	-1	0	275.239	0.088	20	30		CCEDRM
Cc1cc(C#N)c(=O)[n-]c1C(=O)NCCc1cn(C)cn1	ZINC001363211985	928979366	/nfs/dbraw/zinc/97/93/66/928979366.db2.gz	FJWKMICYQHHEQI-UHFFFAOYSA-N	-1	0	285.307	0.673	20	30		CCEDRM
C[C@@H]1COCCCN1Cc1cc(=O)n2[n-]cc(C#N)c2n1	ZINC001363211901	928979412	/nfs/dbraw/zinc/97/94/12/928979412.db2.gz	OXTPBUCGLJSGLS-SNVBAGLBSA-N	-1	0	287.323	0.917	20	30		CCEDRM
N#Cc1cn(CC(=O)N2C[C@H]3CCCC[C@H]32)c(=O)[n-]c1=O	ZINC001363470285	929272614	/nfs/dbraw/zinc/27/26/14/929272614.db2.gz	UKDVJRZVVNYROG-MWLCHTKSSA-N	-1	0	288.307	0.222	20	30		CCEDRM
N#Cc1ccc([O-])c(NC(=O)[C@H]2CCC3N=NC(=O)N3C2)c1	ZINC001447047457	930554105	/nfs/dbraw/zinc/55/41/05/930554105.db2.gz	GGNVJIUHPUBSQA-VIFPVBQESA-N	-1	0	299.290	0.762	20	30		CCEDRM
Cc1cc(C#N)c(=O)[n-]c1C(=O)NCC1(CCO)CC1	ZINC001448139367	930832712	/nfs/dbraw/zinc/83/27/12/930832712.db2.gz	GQUFTIYQOGLPMX-UHFFFAOYSA-N	-1	0	275.308	0.860	20	30		CCEDRM
C#CCN(C(=O)c1ccc(-n2[nH]c(=O)[n-]c2=O)cc1)C1CC1	ZINC001449779880	931185038	/nfs/dbraw/zinc/18/50/38/931185038.db2.gz	IXZFLJAFYPLGQH-UHFFFAOYSA-N	-1	0	298.302	0.504	20	30		CCEDRM
Cc1n[nH]c(C(=O)NC[C@H](C)N(C)C(=O)[C@H](C)C#N)c1[O-]	ZINC001449874676	931203573	/nfs/dbraw/zinc/20/35/73/931203573.db2.gz	VNIYYUFUVFLFSC-SFYZADRCSA-N	-1	0	293.327	0.160	20	30		CCEDRM
CCn1ncc(C(=O)COC(=O)[C@@](C)(C#N)CC(=O)[O-])n1	ZINC001610887584	970773615	/nfs/dbraw/zinc/77/36/15/970773615.db2.gz	CVVWVEVTSQTGIK-GFCCVEGCSA-N	-1	0	294.267	0.028	20	30		CCEDRM
COCCN(CC(=O)[O-])C(=O)c1ccc(C#N)n1C	ZINC001611005076	970844839	/nfs/dbraw/zinc/84/48/39/970844839.db2.gz	JSFLOETXIYRSTB-UHFFFAOYSA-N	-1	0	265.269	0.070	20	30		CCEDRM
Cn1nc(C(=O)[O-])cc1C(=O)N[C@]1(C#N)CCSC1	ZINC001601000436	970897881	/nfs/dbraw/zinc/89/78/81/970897881.db2.gz	IQKJIYMGNPVLGA-NSHDSACASA-N	-1	0	280.309	0.247	20	30		CCEDRM
O=C([O-])c1ccc(/C=C/C(=O)N[C@@H]2CCCN(O)C2=O)o1	ZINC001601237262	970962624	/nfs/dbraw/zinc/96/26/24/970962624.db2.gz	PMXXOYTXNQHPDZ-OTQAPUNGSA-N	-1	0	294.263	0.487	20	30		CCEDRM
C#CC1(NS(=O)(=O)N2CCC[C@H]2C(=O)[O-])CCCC1	ZINC001602671265	971233338	/nfs/dbraw/zinc/23/33/38/971233338.db2.gz	ARBHGTUDHHWDOK-JTQLQIEISA-N	-1	0	286.353	0.316	20	30		CCEDRM
C#CC1(O)CCN(C(=O)C2(CC(=O)[O-])CCC2)CC1	ZINC001602672889	971239025	/nfs/dbraw/zinc/23/90/25/971239025.db2.gz	RANZYLPOMMUETH-UHFFFAOYSA-N	-1	0	265.309	0.618	20	30		CCEDRM
C#C[C@H](CO)NC(=O)C1(C(=O)[O-])C(C)(C)C1(C)C	ZINC001602673638	971241129	/nfs/dbraw/zinc/24/11/29/971241129.db2.gz	YYVVZOYKVUFUOP-MRVPVSSYSA-N	-1	0	253.298	0.234	20	30		CCEDRM
C#C[C@@H](NC(=O)C(=O)Nc1cncc(C(=O)[O-])c1)C(C)C	ZINC001602673597	971241835	/nfs/dbraw/zinc/24/18/35/971241835.db2.gz	XBMKXCSBQPHUHH-LLVKDONJSA-N	-1	0	289.291	0.492	20	30		CCEDRM
C#CC[C@H]1NC(=O)N(C[C@@H](C(=O)[O-])C(C)C)C1=O	ZINC001602675287	971248009	/nfs/dbraw/zinc/24/80/09/971248009.db2.gz	OSUGXJGIAIPNAR-RKDXNWHRSA-N	-1	0	252.270	0.287	20	30		CCEDRM
C#CCCS(=O)(=O)N1C[C@@H](C(=O)[O-])[C@H](C2CC2)C1	ZINC001602675803	971253949	/nfs/dbraw/zinc/25/39/49/971253949.db2.gz	SMDRCRXKMXMJEU-WDEREUQCSA-N	-1	0	271.338	0.382	20	30		CCEDRM
C#CCN(CC(=O)[O-])C(=O)c1ccc(NC2CC2)nc1	ZINC001602691757	971298539	/nfs/dbraw/zinc/29/85/39/971298539.db2.gz	XKTNRQLCWFIYIO-UHFFFAOYSA-N	-1	0	273.292	0.816	20	30		CCEDRM
C#CCN(CC(=O)[O-])[C@H](C)C(=O)Nc1cc(C)no1	ZINC001602695520	971308951	/nfs/dbraw/zinc/30/89/51/971308951.db2.gz	IFZRDUZQJOOHOO-SECBINFHSA-N	-1	0	265.269	0.330	20	30		CCEDRM
C#CCN(CC(=O)[O-])c1nnc(C)n1C[C@@H]1CCCCO1	ZINC001602700966	971323927	/nfs/dbraw/zinc/32/39/27/971323927.db2.gz	QCSHVBSQIDCOCV-LBPRGKRZSA-N	-1	0	292.339	0.680	20	30		CCEDRM
C#CCN(CC(=O)[O-])c1nnc(Cc2ccco2)n1C	ZINC001602701110	971326327	/nfs/dbraw/zinc/32/63/27/971326327.db2.gz	WRGISSRSKZYLEB-UHFFFAOYSA-N	-1	0	274.280	0.523	20	30		CCEDRM
C=C[C@@H](O)C(=O)N[C@H](C(=O)[O-])c1ccc(F)cc1	ZINC001602717503	971368288	/nfs/dbraw/zinc/36/82/88/971368288.db2.gz	PBQBDTQXMOICPE-ZJUUUORDSA-N	-1	0	253.229	0.615	20	30		CCEDRM
C=CCn1c(C)nnc1S[C@H]1CCN(CC(=O)[O-])C1=O	ZINC001602730163	971406995	/nfs/dbraw/zinc/40/69/95/971406995.db2.gz	VWTNWAIKXFKJPR-VIFPVBQESA-N	-1	0	296.352	0.550	20	30		CCEDRM
C=CCn1c(C)nnc1S[C@@H]1CCN(CC(=O)[O-])C1=O	ZINC001602730162	971407268	/nfs/dbraw/zinc/40/72/68/971407268.db2.gz	VWTNWAIKXFKJPR-SECBINFHSA-N	-1	0	296.352	0.550	20	30		CCEDRM
C=CCn1nnnc1N1C[C@H](C(=O)[O-])C[C@H](C)C1	ZINC001602730892	971410054	/nfs/dbraw/zinc/41/00/54/971410054.db2.gz	INQNEYRHGBZKLK-DTWKUNHWSA-N	-1	0	251.290	0.406	20	30		CCEDRM
C[C@@H](C#N)N(CN1C[C@@H](C(=O)[O-])CC1=O)C1CC1	ZINC001602786223	971532434	/nfs/dbraw/zinc/53/24/34/971532434.db2.gz	GASZPQCZNCSOGE-IUCAKERBSA-N	-1	0	251.286	0.253	20	30		CCEDRM
C#CCN(CC(=O)[O-])C(=O)c1ccc(OC)c([N+](=O)[O-])c1	ZINC000092476558	949144054	/nfs/dbraw/zinc/14/40/54/949144054.db2.gz	YJDMAWVHBCNPSD-UHFFFAOYSA-N	-1	0	292.247	0.763	20	30		CCEDRM
N#Cc1cc(NC(=O)[C@H]2CC(C(=O)[O-])=NO2)ccc1F	ZINC000230759559	949711017	/nfs/dbraw/zinc/71/10/17/949711017.db2.gz	JVIZVQRKHXFGNF-SNVBAGLBSA-N	-1	0	277.211	0.865	20	30		CCEDRM
CCN(CC#N)C(=O)C1(C(=O)[O-])CCSCC1	ZINC001589718811	950384046	/nfs/dbraw/zinc/38/40/46/950384046.db2.gz	GWGGCXPPVGIQQG-UHFFFAOYSA-N	-1	0	256.327	0.956	20	30		CCEDRM
CCN(C[C@H](C)OC)C(=O)[C@](C)(C#N)CC(=O)[O-]	ZINC001589719688	950405159	/nfs/dbraw/zinc/40/51/59/950405159.db2.gz	GTZYKHBLNWLIRG-CABZTGNLSA-N	-1	0	256.302	0.874	20	30		CCEDRM
CCN(CCC#N)C(=O)CN([C@@H](C)C(=O)[O-])C1CC1	ZINC001589730099	950491023	/nfs/dbraw/zinc/49/10/23/950491023.db2.gz	NEDVSHOGAVYVDX-JTQLQIEISA-N	-1	0	267.329	0.686	20	30		CCEDRM
C#CCN(CC#N)C(=O)Cc1ccccc1C(=O)[O-]	ZINC000305940661	950589293	/nfs/dbraw/zinc/58/92/93/950589293.db2.gz	RDQDWTYXVDVGTN-UHFFFAOYSA-N	-1	0	256.261	0.913	20	30		CCEDRM
C[C@@H]1CCN(c2cnc(C#N)c(-c3nnn[n-]3)n2)C[C@@H]1F	ZINC001576214260	950665442	/nfs/dbraw/zinc/66/54/42/950665442.db2.gz	NZXKOGNMISOABL-SFYZADRCSA-N	-1	0	288.290	0.713	20	30		CCEDRM
O=C([O-])CCNC(=O)C(=O)/C=C\c1ccc(F)cc1	ZINC001595056163	951502907	/nfs/dbraw/zinc/50/29/07/951502907.db2.gz	QOODCQCRRIZOKM-UTCJRWHESA-N	-1	0	265.240	0.999	20	30		CCEDRM
CCC#CCOC(=O)C1(C(=O)[O-])CCS(=O)(=O)CC1	ZINC001589419701	954586467	/nfs/dbraw/zinc/58/64/67/954586467.db2.gz	GEBJBEKSTFLURW-UHFFFAOYSA-N	-1	0	288.321	0.223	20	30		CCEDRM
CC[C@H](C#N)C(=O)N[C@@H](Cc1ccncc1)C(=O)[O-]	ZINC001589426117	954620884	/nfs/dbraw/zinc/62/08/84/954620884.db2.gz	DHGMNWNLUBKSFQ-MNOVXSKESA-N	-1	0	261.281	0.743	20	30		CCEDRM
COC(=O)CCN(CC(=O)[O-])c1snc(C)c1C#N	ZINC001593843230	955383391	/nfs/dbraw/zinc/38/33/91/955383391.db2.gz	NCYIEMMUMPCCDW-UHFFFAOYSA-N	-1	0	283.309	0.777	20	30		CCEDRM
Cn1cc(Cl)c(CNC(=O)[C@](C)(C#N)CC(=O)[O-])n1	ZINC001594546548	955688304	/nfs/dbraw/zinc/68/83/04/955688304.db2.gz	UGTCTQBXYJDWCD-NSHDSACASA-N	-1	0	284.703	0.694	20	30		CCEDRM
N#C[C@]1(NC(=O)[C@@H]2CC[C@H]2C(=O)[O-])CCSC1	ZINC001594601544	956136233	/nfs/dbraw/zinc/13/62/33/956136233.db2.gz	CSRWQPOSVSRNTP-SOCHQFKDSA-N	-1	0	254.311	0.613	20	30		CCEDRM
N#C[C@@H]1CCCN(CN2C[C@H](C(=O)[O-])CC2=O)C1	ZINC001594605510	956168038	/nfs/dbraw/zinc/16/80/38/956168038.db2.gz	FZLKDVOCDUIQLO-VHSXEESVSA-N	-1	0	251.286	0.113	20	30		CCEDRM
N#C[C@H]1CN(C(=O)[C@@H](C(=O)[O-])C2CC2)CCN1C1CC1	ZINC001594605932	956174514	/nfs/dbraw/zinc/17/45/14/956174514.db2.gz	MIIVPYZCOYWSOO-RYUDHWBXSA-N	-1	0	277.324	0.296	20	30		CCEDRM
N#C[C@H]1CN(C(=O)[C@H](C(=O)[O-])C2CC2)CCN1C1CC1	ZINC001594605930	956175064	/nfs/dbraw/zinc/17/50/64/956175064.db2.gz	MIIVPYZCOYWSOO-NWDGAFQWSA-N	-1	0	277.324	0.296	20	30		CCEDRM
N#CC[C@@]1(O)CCN(C(=O)NC2CCC(C(=O)[O-])CC2)C1	ZINC001594606577	956185273	/nfs/dbraw/zinc/18/52/73/956185273.db2.gz	WBSZVDQAJSCZKW-QIMFLAQGSA-N	-1	0	295.339	0.690	20	30		CCEDRM
N#CC[C@H]1CCCN(C(=O)NCCOCC(=O)[O-])C1	ZINC001594606635	956186581	/nfs/dbraw/zinc/18/65/81/956186581.db2.gz	YGVQSUNTIVJEGN-SNVBAGLBSA-N	-1	0	269.301	0.423	20	30		CCEDRM
N#CC[C@@H]1CC[C@H](NC(=O)[C@@H]2CC(C(=O)[O-])=NO2)C1	ZINC001594610872	956208279	/nfs/dbraw/zinc/20/82/79/956208279.db2.gz	BGWXUFBLPROUQJ-NRPADANISA-N	-1	0	265.269	0.414	20	30		CCEDRM
N#CCc1cccc(NC(=O)[C@]2(C(=O)[O-])CCCO2)n1	ZINC001594610990	956209833	/nfs/dbraw/zinc/20/98/33/956209833.db2.gz	KSDVPVHREKMQRZ-ZDUSSCGKSA-N	-1	0	275.264	0.720	20	30		CCEDRM
N#Cc1ccc(N2CCN(C(=O)CCC(=O)[O-])CC2)nc1	ZINC001594621981	956290165	/nfs/dbraw/zinc/29/01/65/956290165.db2.gz	WBZWPRRNECKVMS-UHFFFAOYSA-N	-1	0	288.307	0.467	20	30		CCEDRM
N#Cc1ccc(N[C@@H]2CCCCN(CC(=O)[O-])C2=O)nc1	ZINC001594622769	956293453	/nfs/dbraw/zinc/29/34/53/956293453.db2.gz	LASKPAKXIJHKAU-LLVKDONJSA-N	-1	0	288.307	0.831	20	30		CCEDRM
N#Cc1cnn(CCOC(=O)C2(C(=O)[O-])CC=CC2)c1N	ZINC001594634220	956361122	/nfs/dbraw/zinc/36/11/22/956361122.db2.gz	GAGQPURXMUBJQH-UHFFFAOYSA-N	-1	0	290.279	0.301	20	30		CCEDRM
N#Cc1ncccc1SCC(=O)NCC(=O)[O-]	ZINC001594635886	956371656	/nfs/dbraw/zinc/37/16/56/956371656.db2.gz	XAOGQZYNBQOKLW-UHFFFAOYSA-N	-1	0	251.267	0.246	20	30		CCEDRM
C[C@@H](OC(=O)[C@@](C)(C#N)CC(=O)[O-])c1nncn1C	ZINC001589159408	956396180	/nfs/dbraw/zinc/39/61/80/956396180.db2.gz	TWJDTIXQLHYYQF-RDDDGLTNSA-N	-1	0	266.257	0.424	20	30		CCEDRM
C[C@](C#N)(CC(=O)[O-])C(=O)N[C@H]1COC(C)(C)C1	ZINC001589210959	956686242	/nfs/dbraw/zinc/68/62/42/956686242.db2.gz	AUFCVRGOPDBYFH-PRHODGIISA-N	-1	0	254.286	0.675	20	30		CCEDRM
COC[C@@]1(C(=O)[O-])CN(Cc2ccc(C#N)cc2)CCO1	ZINC001593984505	956749847	/nfs/dbraw/zinc/74/98/47/956749847.db2.gz	QIEPTUWCDHAMSJ-OAHLLOKOSA-N	-1	0	290.319	0.860	20	30		CCEDRM
COC[C@@]1(C(=O)[O-])CN(c2cc(C#N)cc(C)n2)CCO1	ZINC001593985784	956774166	/nfs/dbraw/zinc/77/41/66/956774166.db2.gz	VRYCJNUDQPDRBA-CQSZACIVSA-N	-1	0	291.307	0.568	20	30		CCEDRM
CC1(C)CCCN(C(=O)[C@H]2CC(C(=O)[O-])=NO2)[C@@H]1C#N	ZINC001589225949	956794978	/nfs/dbraw/zinc/79/49/78/956794978.db2.gz	PTULYANGHXSJDS-NXEZZACHSA-N	-1	0	279.296	0.757	20	30		CCEDRM
COCCC1(C)CN(C(=O)[C@](C)(C#N)CC(=O)[O-])C1	ZINC001593990835	956842639	/nfs/dbraw/zinc/84/26/39/956842639.db2.gz	HODITKLJNCHPAM-ZDUSSCGKSA-N	-1	0	268.313	0.876	20	30		CCEDRM
CC(C)(NS(=O)(=O)c1ccccc1C#N)C(=O)[O-]	ZINC000040910825	957381956	/nfs/dbraw/zinc/38/19/56/957381956.db2.gz	FEFABBPGOPUXLH-UHFFFAOYSA-N	-1	0	268.294	0.700	20	30		CCEDRM
C#C[C@H]1COCCN1C(=O)[C@H]1CC[C@@H](C(=O)[O-])C1	ZINC001588383646	957967632	/nfs/dbraw/zinc/96/76/32/957967632.db2.gz	GPBNQTDAAZIRJO-AXFHLTTASA-N	-1	0	251.282	0.348	20	30		CCEDRM
C#C[C@@H](OC(=O)[C@@H]1CCCN(CC(=O)[O-])C1=O)C1CC1	ZINC001588385235	957968420	/nfs/dbraw/zinc/96/84/20/957968420.db2.gz	BHKOIMQINWLXBY-GHMZBOCLSA-N	-1	0	279.292	0.265	20	30		CCEDRM
C#C[C@@H]1CCCCN1C(=O)C(=O)NC[C@@H](CC)C(=O)[O-]	ZINC001588385982	957974539	/nfs/dbraw/zinc/97/45/39/957974539.db2.gz	MLAVVAUWQCIJKK-GHMZBOCLSA-N	-1	0	280.324	0.228	20	30		CCEDRM
C#C[C@@H](C)NC(=O)C(=O)Nc1ccccc1CC(=O)[O-]	ZINC001588387035	957984672	/nfs/dbraw/zinc/98/46/72/957984672.db2.gz	FGCWRPSNFGHCKI-SECBINFHSA-N	-1	0	274.276	0.390	20	30		CCEDRM
C#CC[C@H](NC(=O)c1ccc(C(=O)[O-])cc1)C(=O)OC	ZINC001588388430	957993037	/nfs/dbraw/zinc/99/30/37/957993037.db2.gz	AFVWSZLPOVFUHA-NSHDSACASA-N	-1	0	275.260	0.680	20	30		CCEDRM
C#CC[C@H](OC(=O)[C@H](OC)C(=O)[O-])c1ccccn1	ZINC001588388492	957995436	/nfs/dbraw/zinc/99/54/36/957995436.db2.gz	BBQJNNGYEXHNPR-WDEREUQCSA-N	-1	0	263.249	0.789	20	30		CCEDRM
C#CCCCCNC(=O)C(=O)Nc1cncc(C(=O)[O-])c1	ZINC001588390910	958017949	/nfs/dbraw/zinc/01/79/49/958017949.db2.gz	RZSLLJLIKLXDSM-UHFFFAOYSA-N	-1	0	289.291	0.638	20	30		CCEDRM
C#CCC[C@H](O)CNC(=O)NC[C@H](C(=O)[O-])C1CCC1	ZINC001588392381	958032746	/nfs/dbraw/zinc/03/27/46/958032746.db2.gz	YQPZHJDQRRGOBQ-RYUDHWBXSA-N	-1	0	282.340	0.561	20	30		CCEDRM
C#CCCOC(=O)N[C@@H](CCC(=O)OC)C(=O)[O-]	ZINC001588395587	958042201	/nfs/dbraw/zinc/04/22/01/958042201.db2.gz	IUAHWVIJKOLLQW-QMMMGPOBSA-N	-1	0	257.242	0.142	20	30		CCEDRM
C#CCN(CC(=O)[O-])C(=O)C(=O)Nc1sc(C)nc1C	ZINC001588397645	958060579	/nfs/dbraw/zinc/06/05/79/958060579.db2.gz	OYANXYLIGRJCHJ-UHFFFAOYSA-N	-1	0	295.320	0.245	20	30		CCEDRM
C#CCN(CC(=O)[O-])C(=O)[C@@H]1CCCN1C(=O)CCC	ZINC001588398828	958070043	/nfs/dbraw/zinc/07/00/43/958070043.db2.gz	CSGYZLGEZCBLBW-NSHDSACASA-N	-1	0	280.324	0.324	20	30		CCEDRM
C#CCN(CC(=O)[O-])C(=O)C1(OCC)CCOCC1	ZINC001588399539	958073889	/nfs/dbraw/zinc/07/38/89/958073889.db2.gz	MIISXSANDZNMPQ-UHFFFAOYSA-N	-1	0	269.297	0.119	20	30		CCEDRM
C#CCN(CC(=O)[O-])C(=O)CNC(=O)CC1CCCCC1	ZINC001588401958	958085246	/nfs/dbraw/zinc/08/52/46/958085246.db2.gz	HLDHPBWCAQVBSB-UHFFFAOYSA-N	-1	0	294.351	0.619	20	30		CCEDRM
C#CCN(CC(=O)[O-])C(=O)C[C@H]1C(=O)Nc2ccccc21	ZINC001588401989	958086772	/nfs/dbraw/zinc/08/67/72/958086772.db2.gz	IHKGTNBELKMNOF-LLVKDONJSA-N	-1	0	286.287	0.659	20	30		CCEDRM
C#CCN(CC(=O)[O-])C(=O)N[C@H](C)CC(C)(C)OC	ZINC001588406561	958095325	/nfs/dbraw/zinc/09/53/25/958095325.db2.gz	ACRSAIJAXMURMV-SNVBAGLBSA-N	-1	0	270.329	0.919	20	30		CCEDRM
C#CCN(CC(=O)[O-])C(=O)Cc1cnn(-c2ccccc2)c1	ZINC001588407598	958101251	/nfs/dbraw/zinc/10/12/51/958101251.db2.gz	RQSTYMVOXXHROG-UHFFFAOYSA-N	-1	0	297.314	0.961	20	30		CCEDRM
C#CCN(CC(=O)[O-])C(=O)NCC[C@@H]1CCO[C@H](C)C1	ZINC001588408694	958116295	/nfs/dbraw/zinc/11/62/95/958116295.db2.gz	ZDSSAYGTEDGNSB-VXGBXAGGSA-N	-1	0	282.340	0.921	20	30		CCEDRM
C#CCN(CC(=O)[O-])C(=O)N[C@H]1CCO[C@@H](CC)C1	ZINC001588409931	958133588	/nfs/dbraw/zinc/13/35/88/958133588.db2.gz	MNEIWQFSBDGTQF-QWRGUYRKSA-N	-1	0	268.313	0.673	20	30		CCEDRM
C#CCN(CC(=O)[O-])C(=O)N[C@@H]1C[C@@](C)(OC)C1(C)C	ZINC001588410597	958140650	/nfs/dbraw/zinc/14/06/50/958140650.db2.gz	XMZHVTWRIGJRSI-QMTHXVAHSA-N	-1	0	282.340	0.919	20	30		CCEDRM
C#CCN(CC(=O)[O-])C(=O)Nc1cc(C(=O)OC)n(C)c1	ZINC001588410988	958143606	/nfs/dbraw/zinc/14/36/06/958143606.db2.gz	CYNXPMFILPRNKV-UHFFFAOYSA-N	-1	0	293.279	0.363	20	30		CCEDRM
C#CCN(CC(=O)[O-])C(=O)c1ccc(C(=O)OC)cc1	ZINC001588416227	958163589	/nfs/dbraw/zinc/16/35/89/958163589.db2.gz	KBSJXOLABLOFLC-UHFFFAOYSA-N	-1	0	275.260	0.633	20	30		CCEDRM
C#CCN(CC(=O)[O-])C(=O)c1c[nH]nc1-c1cccnc1	ZINC001588417348	958170549	/nfs/dbraw/zinc/17/05/49/958170549.db2.gz	JUEQWPJSLVLCBN-UHFFFAOYSA-N	-1	0	284.275	0.632	20	30		CCEDRM
C#CCN(CC(=O)[O-])CC(=O)Nc1nc2c(s1)CCC2	ZINC001588420261	958202233	/nfs/dbraw/zinc/20/22/33/958202233.db2.gz	SKFNODBMJWLOIJ-UHFFFAOYSA-N	-1	0	293.348	0.590	20	30		CCEDRM
C#CCN(CC(=O)[O-])Cc1c(Cl)ncnc1N(C)C	ZINC001588423692	958207066	/nfs/dbraw/zinc/20/70/66/958207066.db2.gz	CFHHHTUBEGBGNP-UHFFFAOYSA-N	-1	0	282.731	0.716	20	30		CCEDRM
C#CCN(CC(=O)[O-])Cc1ccc(C(=O)OCC)o1	ZINC001588423810	958208258	/nfs/dbraw/zinc/20/82/58/958208258.db2.gz	GBBQTFAYUSELFT-UHFFFAOYSA-N	-1	0	265.265	0.976	20	30		CCEDRM
C#CCN(CC(=O)[O-])C[C@H](O)CC[C@@H](O)c1ccccc1	ZINC001588424138	958209542	/nfs/dbraw/zinc/20/95/42/958209542.db2.gz	JZHGIVNGGVOYTF-HUUCEWRRSA-N	-1	0	291.347	0.881	20	30		CCEDRM
C#CCN(CC(=O)[O-])C[C@@H](O)c1ccc(F)cc1	ZINC001588424729	958219711	/nfs/dbraw/zinc/21/97/11/958219711.db2.gz	XBTXXWAJZUEDML-GFCCVEGCSA-N	-1	0	251.257	0.879	20	30		CCEDRM
C#CCN(CC(=O)[O-])S(=O)(=O)Cc1csc(C)n1	ZINC001588425456	958225620	/nfs/dbraw/zinc/22/56/20/958225620.db2.gz	SCJMTAYYLUHSCZ-UHFFFAOYSA-N	-1	0	288.350	0.301	20	30		CCEDRM
C#CCN(CC(=O)[O-])c1nnnn1C[C@H]1CCO[C@H](C)C1	ZINC001588426718	958231738	/nfs/dbraw/zinc/23/17/38/958231738.db2.gz	ABJNPSSIBFVBPG-MNOVXSKESA-N	-1	0	293.327	0.012	20	30		CCEDRM
C#CCN1CCC[C@@H](NC(=O)N(C)CCC(=O)[O-])C1	ZINC001588430580	958258567	/nfs/dbraw/zinc/25/85/67/958258567.db2.gz	NZFJESBDWPCXMZ-LLVKDONJSA-N	-1	0	267.329	0.200	20	30		CCEDRM
C#CCOCCN(C)C(=O)C1(CC(=O)[O-])CCC1	ZINC001588430652	958260116	/nfs/dbraw/zinc/26/01/16/958260116.db2.gz	FEDKKHZRCSWQJF-UHFFFAOYSA-N	-1	0	253.298	0.740	20	30		CCEDRM
C#CCN1CCC[C@H](NC(=O)C(C)(C)C(=O)[O-])C1	ZINC001588430998	958264151	/nfs/dbraw/zinc/26/41/51/958264151.db2.gz	RPSOLLOVMDSFSN-JTQLQIEISA-N	-1	0	252.314	0.311	20	30		CCEDRM
C#CCOCCC(=O)N1C[C@H](C(=O)[O-])CC[C@@H]1C	ZINC001588431676	958272464	/nfs/dbraw/zinc/27/24/64/958272464.db2.gz	UWOXHNHCQFDIDU-WDEREUQCSA-N	-1	0	253.298	0.738	20	30		CCEDRM
C#Cc1cccc(CNC(=O)[C@](C)(OC)C(=O)[O-])c1	ZINC001588438801	958305253	/nfs/dbraw/zinc/30/52/53/958305253.db2.gz	BVDGVZNHXAYJOH-AWEZNQCLSA-N	-1	0	261.277	0.774	20	30		CCEDRM
C=C(C)COCCNC(=O)N1C[C@H]2COC[C@@]2(C(=O)[O-])C1	ZINC001588439426	958318232	/nfs/dbraw/zinc/31/82/32/958318232.db2.gz	BOAYEQPYTMKJSE-FZMZJTMJSA-N	-1	0	298.339	0.322	20	30		CCEDRM
C=C(C)Cn1c(CO)nnc1N1C[C@H](C(=O)[O-])C[C@H](C)C1	ZINC001588442864	958347305	/nfs/dbraw/zinc/34/73/05/958347305.db2.gz	LBOAMUHOUCLKKP-WDEREUQCSA-N	-1	0	294.355	0.894	20	30		CCEDRM
C=C[C@@H](C)ONC(=O)N[C@H]1CCCCN(CC(=O)[O-])C1=O	ZINC001588450732	958398518	/nfs/dbraw/zinc/39/85/18/958398518.db2.gz	AONSZNIJKDLOLA-ZJUUUORDSA-N	-1	0	299.327	0.257	20	30		CCEDRM
C=C[C@](C)(O)CC(=O)Nc1cnn(C(C)(C)C(=O)[O-])c1	ZINC001588450958	958403554	/nfs/dbraw/zinc/40/35/54/958403554.db2.gz	IRJLOPUGDQLFME-ZDUSSCGKSA-N	-1	0	281.312	0.968	20	30		CCEDRM
C=C[C@H](N[C@H](Cc1ccccc1)C(=O)[O-])C(=O)OC	ZINC001588452378	958422370	/nfs/dbraw/zinc/42/23/70/958422370.db2.gz	OFJDILVMMVTXDB-NWDGAFQWSA-N	-1	0	263.293	1.000	20	30		CCEDRM
C=C[C@H](O)c1nnc(N2CCC(C)(C(=O)[O-])CC2)n1C	ZINC001588452654	958425157	/nfs/dbraw/zinc/42/51/57/958425157.db2.gz	QHBOQMRCIKUGKC-VIFPVBQESA-N	-1	0	280.328	0.726	20	30		CCEDRM
C=CC[C@@H](C)NC(=O)C1(C(=O)[O-])CCS(=O)(=O)CC1	ZINC001588452789	958427230	/nfs/dbraw/zinc/42/72/30/958427230.db2.gz	JSYBICYGJDBTMR-SECBINFHSA-N	-1	0	289.353	0.347	20	30		CCEDRM
C=CC[C@H](CO)NC(=O)NC1CCC(C(=O)[O-])CC1	ZINC001588453393	958436168	/nfs/dbraw/zinc/43/61/68/958436168.db2.gz	WKCIQFGIJMXIJR-VQXHTEKXSA-N	-1	0	270.329	0.866	20	30		CCEDRM
C=CCCN(C)C(=O)N[C@H]1CCCCN(CC(=O)[O-])C1=O	ZINC001588459746	958468311	/nfs/dbraw/zinc/46/83/11/958468311.db2.gz	BDBOWXSVIGPKGR-NSHDSACASA-N	-1	0	297.355	0.670	20	30		CCEDRM
C=CCN(C(=O)C(=O)N(C)CCC(=O)[O-])C(C)C	ZINC001588460379	958474886	/nfs/dbraw/zinc/47/48/86/958474886.db2.gz	CDFPZQQAIKOQJD-UHFFFAOYSA-N	-1	0	256.302	0.343	20	30		CCEDRM
C=CCN(CC=C)C(=O)C(=O)Nc1ccn(CC(=O)[O-])n1	ZINC001588463233	958480800	/nfs/dbraw/zinc/48/08/00/958480800.db2.gz	GHRUGOOSKYINJV-UHFFFAOYSA-N	-1	0	292.295	0.107	20	30		CCEDRM
C=CCN1CC[C@H]([N@H+](C)CCCCC(=O)[O-])C1=O	ZINC001588463899	958486417	/nfs/dbraw/zinc/48/64/17/958486417.db2.gz	AQDJUAVZCPWAIC-NSHDSACASA-N	-1	0	254.330	0.960	20	30		CCEDRM
C=CCNC(=O)[C@H](C)OC(=O)[C@@H]1CC[C@H]1C(=O)[O-]	ZINC001588465381	958501705	/nfs/dbraw/zinc/50/17/05/958501705.db2.gz	HJARJFIVJCJTQV-DJLDLDEBSA-N	-1	0	255.270	0.331	20	30		CCEDRM
C=CCNC(=O)[C@@H](C)OC(=O)c1cnc(C(=O)[O-])cn1	ZINC001588465424	958503745	/nfs/dbraw/zinc/50/37/45/958503745.db2.gz	JFRRDLFYYIJYMB-SSDOTTSWSA-N	-1	0	279.252	0.022	20	30		CCEDRM
C=C[C@@H]1OCC[C@H]1C(=O)N[C@H](C(=O)[O-])c1ccnn1C	ZINC001588478358	958565636	/nfs/dbraw/zinc/56/56/36/958565636.db2.gz	IJUIXKZTNGPFOX-MIMYLULJSA-N	-1	0	279.296	0.253	20	30		CCEDRM
C[C@@](C#N)(CC(=O)[O-])C(=O)Nc1n[nH]c2c1COCC2	ZINC001573364884	958617683	/nfs/dbraw/zinc/61/76/83/958617683.db2.gz	RIAIFFFVGQCNPS-LBPRGKRZSA-N	-1	0	278.268	0.425	20	30		CCEDRM
CC(=O)NCCN(Cc1nc(C#N)cs1)[C@@H](C)C(=O)[O-]	ZINC001588514908	958786608	/nfs/dbraw/zinc/78/66/08/958786608.db2.gz	LRRNWVMTQLSYRC-QMMMGPOBSA-N	-1	0	296.352	0.426	20	30		CCEDRM
CC(=O)c1cc(C#N)ccc1NC(=O)COCC(=O)[O-]	ZINC001588528246	958884687	/nfs/dbraw/zinc/88/46/87/958884687.db2.gz	UOUOHYTYYGMAMG-UHFFFAOYSA-N	-1	0	276.248	0.801	20	30		CCEDRM
C[C@](C#N)(CC(=O)[O-])C(=O)N1CCC[C@@H](O)CC1	ZINC001588538831	958945556	/nfs/dbraw/zinc/94/55/56/958945556.db2.gz	OHRQJXFXQQAETH-BXKDBHETSA-N	-1	0	254.286	0.364	20	30		CCEDRM
C[C@@](C#N)(NC(=O)COC(=O)C1(C(=O)[O-])CCC1)C1CC1	ZINC001588542865	958974353	/nfs/dbraw/zinc/97/43/53/958974353.db2.gz	FAFNKYLXMAKLRW-ZDUSSCGKSA-N	-1	0	294.307	0.593	20	30		CCEDRM
C[C@H](C#N)C(=O)N1CCC(N2C[C@@H](C(=O)[O-])CC2=O)CC1	ZINC001588543223	958977933	/nfs/dbraw/zinc/97/79/33/958977933.db2.gz	JFSYIMWSGQWCLB-ZJUUUORDSA-N	-1	0	293.323	0.070	20	30		CCEDRM
C[C@H](C#N)N(C(=O)[C@@H]1CCCN(CC(=O)[O-])C1=O)C1CC1	ZINC001588543844	958983792	/nfs/dbraw/zinc/98/37/92/958983792.db2.gz	UGQNFOSZFROCDO-MWLCHTKSSA-N	-1	0	293.323	0.213	20	30		CCEDRM
C[C@@H](C#N)CNC(=O)Nc1ccn(C(C)(C)C(=O)[O-])n1	ZINC001588543738	958983882	/nfs/dbraw/zinc/98/38/82/958983882.db2.gz	QPKQIDWKGKLXDW-QMMMGPOBSA-N	-1	0	279.300	0.984	20	30		CCEDRM
C[C@H](C(=O)N1CCC[C@@H](CC(=O)[O-])C1)n1cnc(C#N)n1	ZINC001588549614	959011653	/nfs/dbraw/zinc/01/16/53/959011653.db2.gz	ZIMSHYZWGJIGCR-ZJUUUORDSA-N	-1	0	291.311	0.424	20	30		CCEDRM
C#CC[C@@H](NC(=O)c1ccc(C#N)c(C)n1)C(=O)[O-]	ZINC000149730241	959026464	/nfs/dbraw/zinc/02/64/64/959026464.db2.gz	KTBLWYBDVAMBIV-LLVKDONJSA-N	-1	0	257.249	0.468	20	30		CCEDRM
N#C[C@H]1CN(c2ncc(C(=O)[O-])cc2[N+](=O)[O-])CCO1	ZINC000162455922	959214626	/nfs/dbraw/zinc/21/46/26/959214626.db2.gz	QZQTVHPVPLSMLR-QMMMGPOBSA-N	-1	0	278.224	0.417	20	30		CCEDRM
N#Cc1ccccc1OCC(=O)NCC1(C(=O)[O-])CC1	ZINC000166939989	959325920	/nfs/dbraw/zinc/32/59/20/959325920.db2.gz	UZJYEOPIWBRQQX-UHFFFAOYSA-N	-1	0	274.276	0.918	20	30		CCEDRM
Cc1nc(C)c(CNC(=O)[C@@](C)(C#N)CC(=O)[O-])o1	ZINC001594450222	959364399	/nfs/dbraw/zinc/36/43/99/959364399.db2.gz	DXLGMXDASDLGQN-GFCCVEGCSA-N	-1	0	265.269	0.912	20	30		CCEDRM
C[C@@H](CNC(=O)NCC1(C#N)CCOCC1)C(=O)[O-]	ZINC001573593133	959409076	/nfs/dbraw/zinc/40/90/76/959409076.db2.gz	AGUFWQHVISVHKF-VIFPVBQESA-N	-1	0	269.301	0.327	20	30		CCEDRM
C[C@H](O)C(C)(C)CNC(=O)[C@@](C)(C#N)CC(=O)[O-]	ZINC001573634740	959583253	/nfs/dbraw/zinc/58/32/53/959583253.db2.gz	HOEADUJTQUWLGE-QPUJVOFHSA-N	-1	0	256.302	0.514	20	30		CCEDRM
Cc1[nH]c(C#N)cc1C(=O)O[C@H]1CCN(CC(=O)[O-])C1=O	ZINC001594248026	959598146	/nfs/dbraw/zinc/59/81/46/959598146.db2.gz	UWTUDZCPXFWZKM-JTQLQIEISA-N	-1	0	291.263	0.037	20	30		CCEDRM
N#CCSCC(=O)N1C[C@@H]2CCC[C@@H]2[C@@H]1C(=O)[O-]	ZINC000228977583	960048608	/nfs/dbraw/zinc/04/86/08/960048608.db2.gz	SNXKFKQWGGFCPW-ATZCPNFKSA-N	-1	0	268.338	0.955	20	30		CCEDRM
N#Cc1ccc(F)c(CN2C[C@@H](O)C[C@H]2C(=O)[O-])c1	ZINC000229080904	960057851	/nfs/dbraw/zinc/05/78/51/960057851.db2.gz	SKYWOPMHGIVGLL-JQWIXIFHSA-N	-1	0	264.256	0.717	20	30		CCEDRM
C#C[C@@H](CC)NS(=O)(=O)c1ccc(C(=O)[O-])o1	ZINC000229871033	960098531	/nfs/dbraw/zinc/09/85/31/960098531.db2.gz	BSPROWPQMBEFHC-ZETCQYMHSA-N	-1	0	257.267	0.668	20	30		CCEDRM
N#CC1(CNC(=O)[C@H]2CC[C@H]2C(=O)[O-])CCOCC1	ZINC001574241001	960462560	/nfs/dbraw/zinc/46/25/60/960462560.db2.gz	DHSVPCFMCMRTKM-VHSXEESVSA-N	-1	0	266.297	0.534	20	30		CCEDRM
N#Cc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)[O-])C2)nc1	ZINC001574250211	960507668	/nfs/dbraw/zinc/50/76/68/960507668.db2.gz	VSVKNRPXULGEEL-SNVBAGLBSA-N	-1	0	295.320	0.439	20	30		CCEDRM
Cc1cc(C(=O)N2CCC[C@H](O)[C@H]2C(=O)[O-])ncc1C#N	ZINC001571034905	960514391	/nfs/dbraw/zinc/51/43/91/960514391.db2.gz	ADWUZEUBHXNMCU-RYUDHWBXSA-N	-1	0	289.291	0.312	20	30		CCEDRM
Cc1cc(NC(=O)N2CC[C@](O)(C(=O)[O-])C2)ncc1C#N	ZINC001571037831	960545875	/nfs/dbraw/zinc/54/58/75/960545875.db2.gz	BAABLHPWKQTVEL-CYBMUJFWSA-N	-1	0	290.279	0.315	20	30		CCEDRM
N#Cc1ncccc1S(=O)(=O)N1CCC(C(=O)[O-])CC1	ZINC000236415563	960562632	/nfs/dbraw/zinc/56/26/32/960562632.db2.gz	SYQXZMNPKGPYIW-UHFFFAOYSA-N	-1	0	295.320	0.439	20	30		CCEDRM
N#Cc1cc(CN2C[C@H](O)C[C@@H]2C(=O)[O-])ccc1F	ZINC000236562436	960709302	/nfs/dbraw/zinc/70/93/02/960709302.db2.gz	MAUAJMXELJPIPW-ZYHUDNBSSA-N	-1	0	264.256	0.717	20	30		CCEDRM
Cc1[nH]c(C#N)cc1C(=O)N1C[C@H]2COC[C@@]2(C(=O)[O-])C1	ZINC001574299104	960721075	/nfs/dbraw/zinc/72/10/75/960721075.db2.gz	XUGNNGCGJDWRAR-XPTSAGLGSA-N	-1	0	289.291	0.368	20	30		CCEDRM
Cc1cc(NC(=O)[C@H]2CC(C(=O)[O-])=NO2)nn1CCC#N	ZINC001574337954	960915882	/nfs/dbraw/zinc/91/58/82/960915882.db2.gz	RWCLESKKYARPND-SECBINFHSA-N	-1	0	291.267	0.273	20	30		CCEDRM
CCN(C[C@H](C)C#N)C(=O)CN(CCOC)CC(=O)[O-]	ZINC001573875445	961245796	/nfs/dbraw/zinc/24/57/96/961245796.db2.gz	RBPSGIBODZLBSJ-LLVKDONJSA-N	-1	0	285.344	0.028	20	30		CCEDRM
CC(C)[C@@H](C(=O)[O-])C(=O)NC1CCN(CC#N)CC1	ZINC001588803633	961453382	/nfs/dbraw/zinc/45/33/82/961453382.db2.gz	HTEFHBFBWDFZDI-LLVKDONJSA-N	-1	0	267.329	0.447	20	30		CCEDRM
N#Cc1c(NC(=O)[C@H]2CC(C(=O)[O-])=NO2)n[nH]c1C1CC1	ZINC001574479603	961652267	/nfs/dbraw/zinc/65/22/67/961652267.db2.gz	LDDFKRDIIWLBBN-MRVPVSSYSA-N	-1	0	289.251	0.327	20	30		CCEDRM
N#CC1(CNC(=O)N[C@H]2C[C@@H](C(=O)[O-])C2)CCOCC1	ZINC001574480381	961661498	/nfs/dbraw/zinc/66/14/98/961661498.db2.gz	IOIGSWOSJZCKFT-AOOOYVTPSA-N	-1	0	281.312	0.469	20	30		CCEDRM
N#Cc1csc(CNC(=O)c2cnc(C(=O)[O-])cn2)n1	ZINC001574493100	961717927	/nfs/dbraw/zinc/71/79/27/961717927.db2.gz	JDSMNYWIQGRPGP-UHFFFAOYSA-N	-1	0	289.276	0.433	20	30		CCEDRM
N#Cc1cnn(C(=O)[C@H]2CO[C@@H](CCC(=O)[O-])C2)c1N	ZINC001574493527	961720376	/nfs/dbraw/zinc/72/03/76/961720376.db2.gz	MZEPJJZTXLCGQS-APPZFPTMSA-N	-1	0	278.268	0.247	20	30		CCEDRM
COC(=O)CCN(CC#N)C(=O)C1(C(=O)[O-])CCCCC1	ZINC001574054860	962168062	/nfs/dbraw/zinc/16/80/62/962168062.db2.gz	JGTJAUBOQBSXCY-UHFFFAOYSA-N	-1	0	296.323	0.937	20	30		CCEDRM
COC(=O)CCN(CC(=O)[O-])C(=O)c1cccc(C#N)n1	ZINC001574057026	962198433	/nfs/dbraw/zinc/19/84/33/962198433.db2.gz	ZOIJGYOBOOAQOI-UHFFFAOYSA-N	-1	0	291.263	0.043	20	30		CCEDRM
CC(C)NC(=O)[C@H](C)NC(=O)[C@@](C)(C#N)CC(=O)[O-]	ZINC001588923400	962416531	/nfs/dbraw/zinc/41/65/31/962416531.db2.gz	XAFKMFLTLIPMLI-QPUJVOFHSA-N	-1	0	269.301	0.020	20	30		CCEDRM
CO[C@H](C(=O)[O-])C(=O)Nc1cnc(Cl)cc1C#N	ZINC001574105802	962436774	/nfs/dbraw/zinc/43/67/74/962436774.db2.gz	RNKBDDATFUNAFN-QMMMGPOBSA-N	-1	0	269.644	0.645	20	30		CCEDRM
COC[C@]1(C(=O)[O-])CCN(C(=O)[C@@H]2C[C@@H]2C#N)C1	ZINC001574131743	962540921	/nfs/dbraw/zinc/54/09/21/962540921.db2.gz	RTCBCIXRPWEETA-LNLATYFQSA-N	-1	0	252.270	0.096	20	30		CCEDRM
C#CC[C@H](NC(=O)c1cc(F)cc([N+](=O)[O-])c1N)C(=O)[O-]	ZINC001573304071	962686504	/nfs/dbraw/zinc/68/65/04/962686504.db2.gz	YJEBFVKQGRDNJJ-QMMMGPOBSA-N	-1	0	295.226	0.522	20	30		CCEDRM
C=C(C)[C@H](CC(=O)N[C@H]1CCO[C@H]1C(=O)[O-])OCC	ZINC001573322233	962767496	/nfs/dbraw/zinc/76/74/96/962767496.db2.gz	WFCXOGZXVUIUQT-JBLDHEPKSA-N	-1	0	271.313	0.716	20	30		CCEDRM
C=C(C)CN(C)S(=O)(=O)c1cc(C(=O)[O-])[nH]n1	ZINC001573323779	962776786	/nfs/dbraw/zinc/77/67/86/962776786.db2.gz	HTCHIAATWRSRHK-UHFFFAOYSA-N	-1	0	259.287	0.305	20	30		CCEDRM
C=C(C)CCC(=O)NC[C@H]1CCN(C(=O)CNC(=O)[O-])C1	ZINC001573323965	962778158	/nfs/dbraw/zinc/77/81/58/962778158.db2.gz	KELVRXUXEFKPAK-LLVKDONJSA-N	-1	0	297.355	0.575	20	30		CCEDRM
C=C(CCC(=O)[O-])C(=O)NCc1cncnc1N	ZINC001573336299	962858748	/nfs/dbraw/zinc/85/87/48/962858748.db2.gz	AVGWPHHPZLGNGR-UHFFFAOYSA-N	-1	0	250.258	0.096	20	30		CCEDRM
C=C(CCC(=O)[O-])C(=O)Nc1cccc(OCC(N)=O)c1	ZINC001573336863	962862413	/nfs/dbraw/zinc/86/24/13/962862413.db2.gz	HMNVWFIWNYJWQK-UHFFFAOYSA-N	-1	0	292.291	0.910	20	30		CCEDRM
C=C(Cl)CNS(=O)(=O)c1n[nH]c(C)c1C(=O)[O-]	ZINC001573344285	962915106	/nfs/dbraw/zinc/91/51/06/962915106.db2.gz	RSZFLOBNJRTLSR-UHFFFAOYSA-N	-1	0	279.705	0.447	20	30		CCEDRM
C=C=CCNS(=O)(=O)c1ccc(C#N)cc1C(=O)[O-]	ZINC001573345147	962926688	/nfs/dbraw/zinc/92/66/88/962926688.db2.gz	IRDKUPVTVAPECT-UHFFFAOYSA-N	-1	0	278.289	0.876	20	30		CCEDRM
C=C[C@](C)(CC)C(=O)N1CC[C@H](NC(=O)CNC(=O)[O-])C1	ZINC001573346969	962943670	/nfs/dbraw/zinc/94/36/70/962943670.db2.gz	IFRUGKJVCGXXHB-IINYFYTJSA-N	-1	0	297.355	0.573	20	30		CCEDRM
C=CC(C)(C)C(=O)N1C[C@@H]2C[C@H]1CN2C(=O)CNC(=O)[O-]	ZINC001573347125	962946047	/nfs/dbraw/zinc/94/60/47/962946047.db2.gz	JFSJKIZTAJGXMZ-UWVGGRQHSA-N	-1	0	295.339	0.278	20	30		CCEDRM
C=CCC(C)(C)C(=O)NC[C@H](C)NC(=O)CNC(=O)[O-]	ZINC001573350168	962966178	/nfs/dbraw/zinc/96/61/78/962966178.db2.gz	DWJYUOXRVAMHFY-VIFPVBQESA-N	-1	0	285.344	0.477	20	30		CCEDRM
C=CCNC(=O)CNC(=O)c1ccc(/C=C/C(=O)[O-])o1	ZINC001573367884	963072463	/nfs/dbraw/zinc/07/24/63/963072463.db2.gz	DIIJJTYFDPEGKQ-GQCTYLIASA-N	-1	0	278.264	0.409	20	30		CCEDRM
C=CCOC[C@H](NC(=O)c1nnc(C2CC2)o1)C(=O)[O-]	ZINC001573368702	963085424	/nfs/dbraw/zinc/08/54/24/963085424.db2.gz	KLDWFIUAVCJOFE-QMMMGPOBSA-N	-1	0	281.268	0.333	20	30		CCEDRM
N#CC1(C(=O)[O-])CCN(C(=O)[C@H]2C[C@]23CCOC3)CC1	ZINC001571009532	963271803	/nfs/dbraw/zinc/27/18/03/963271803.db2.gz	ODPHKHUZQLFLFW-YGRLFVJLSA-N	-1	0	278.308	0.630	20	30		CCEDRM
C=CCN(C(C)C)S(=O)(=O)c1cc(C(=O)[O-])no1	ZINC000315323511	963881745	/nfs/dbraw/zinc/88/17/45/963881745.db2.gz	BUXHRMCSOXMCTD-UHFFFAOYSA-N	-1	0	274.298	0.958	20	30		CCEDRM
CC(=O)N[C@@H](C(=O)N1CCC(C#N)(C(=O)[O-])CC1)C(C)C	ZINC001573416905	964025514	/nfs/dbraw/zinc/02/55/14/964025514.db2.gz	DGYZAOMDNAWBFR-LLVKDONJSA-N	-1	0	295.339	0.364	20	30		CCEDRM
C=C(C)C[C@H](NC(C)=O)C(=O)N(C)C[C@H](C)C(=O)[O-]	ZINC001588443156	964060025	/nfs/dbraw/zinc/06/00/25/964060025.db2.gz	YKVLJTDVKKZETC-ONGXEEELSA-N	-1	0	270.329	0.636	20	30		CCEDRM
C#CCCCNC(=O)N1C[C@@H](C)O[C@H](C(=O)[O-])C1	ZINC001588446315	964071365	/nfs/dbraw/zinc/07/13/65/964071365.db2.gz	HAJYEKDDKPVAHU-ZJUUUORDSA-N	-1	0	254.286	0.283	20	30		CCEDRM
C#CCCN(CCOC)C(=S)NCCCC(=O)[O-]	ZINC001588447130	964083183	/nfs/dbraw/zinc/08/31/83/964083183.db2.gz	FBXFJYSNUYNVSZ-UHFFFAOYSA-N	-1	0	272.370	0.697	20	30		CCEDRM
C#CCN(CC(=O)[O-])C(=O)c1ccc2c(c1)COC2	ZINC000092479058	967595742	/nfs/dbraw/zinc/59/57/42/967595742.db2.gz	COMNZLGJLXGJKJ-UHFFFAOYSA-N	-1	0	259.261	0.877	20	30		CCEDRM
N#Cc1ccc(C(=O)NCC2(C(=O)[O-])CCC2)nc1	ZINC000147440857	967646283	/nfs/dbraw/zinc/64/62/83/967646283.db2.gz	VVGNCQHEDHPDIX-UHFFFAOYSA-N	-1	0	259.265	0.938	20	30		CCEDRM
N#C[C@]1(F)CCN(CC2(O)CCC(C(=O)[O-])CC2)C1	ZINC001574242356	969850414	/nfs/dbraw/zinc/85/04/14/969850414.db2.gz	UVMFHJOOFOYERD-YXMLORGKSA-N	-1	0	270.304	0.930	20	30		CCEDRM
C#CCN(CC(=O)[O-])c1nnc(-c2cocn2)n1CC	ZINC001588426442	969881652	/nfs/dbraw/zinc/88/16/52/969881652.db2.gz	JRQZMNGDZIIHHA-UHFFFAOYSA-N	-1	0	275.268	0.477	20	30		CCEDRM
C[C@H](C(=O)[O-])C(=O)NCC1CCN(CC#N)CC1	ZINC001609700748	970464939	/nfs/dbraw/zinc/46/49/39/970464939.db2.gz	BGRNHOCTBOYXNR-VIFPVBQESA-N	-1	0	253.302	0.059	20	30		CCEDRM
C=CC[C@H](CO)NS(=O)(=O)c1cccc(C(=O)[O-])c1C	ZINC000320280577	970643076	/nfs/dbraw/zinc/64/30/76/970643076.db2.gz	NTTFISKEIDJOBQ-SNVBAGLBSA-N	-1	0	299.348	0.909	20	30		CCEDRM
CC[C@@H](NC(=O)[C@@](C)(C#N)CC(=O)[O-])C(OC)OC	ZINC001610133281	970680189	/nfs/dbraw/zinc/68/01/89/970680189.db2.gz	LJSCPCBYBUTEIS-PRHODGIISA-N	-1	0	272.301	0.505	20	30		CCEDRM
C=CCNC(=O)CNC(=O)c1cc(C(=O)[O-])co1	ZINC000393834493	972648520	/nfs/dbraw/zinc/64/85/20/972648520.db2.gz	HUKPEYLFWLXLFO-UHFFFAOYSA-N	-1	0	252.226	0.010	20	30		CCEDRM
COC(=O)CCN(CC#N)C(=O)c1cccc(C(=O)[O-])c1	ZINC001604304214	972954978	/nfs/dbraw/zinc/95/49/78/972954978.db2.gz	NETZLKLGSKAFMA-UHFFFAOYSA-N	-1	0	290.275	0.914	20	30		CCEDRM
Cc1ccc(C(=O)N2CCO[C@H](C(=O)[O-])C2)cc1C#N	ZINC001605246826	973011355	/nfs/dbraw/zinc/01/13/55/973011355.db2.gz	DAFDTZDEHYCKFV-LBPRGKRZSA-N	-1	0	274.276	0.792	20	30		CCEDRM
CO[C@](C)(C(=O)[O-])C(=O)NCC#Cc1ccccc1	ZINC001604454926	973289688	/nfs/dbraw/zinc/28/96/88/973289688.db2.gz	ITKXXXYRAZAQBL-AWEZNQCLSA-N	-1	0	261.277	0.644	20	30		CCEDRM
CO[C@H](CNC(=O)[C@@](C)(C#N)CC(=O)[O-])[C@@H]1CCOC1	ZINC001604471086	973343844	/nfs/dbraw/zinc/34/38/44/973343844.db2.gz	KKUHEXNTFDLPCY-GIPNMCIBSA-N	-1	0	284.312	0.159	20	30		CCEDRM
C=C(Br)CN1C[C@@H](O)C[C@H](C(=O)[O-])C1	ZINC000401910977	973524740	/nfs/dbraw/zinc/52/47/40/973524740.db2.gz	SYYLOWSOFPSLJK-YUMQZZPRSA-N	-1	0	264.119	0.662	20	30		CCEDRM
N#Cc1ccc(N2C[C@H](O)C[C@@H](C(=O)[O-])C2)c(F)c1	ZINC000401975821	973585161	/nfs/dbraw/zinc/58/51/61/973585161.db2.gz	UHOCZYMWUDFZPV-NXEZZACHSA-N	-1	0	264.256	0.969	20	30		CCEDRM
COCCN(CCF)C(=O)[C@](C)(C#N)CC(=O)[O-]	ZINC001604610224	973717959	/nfs/dbraw/zinc/71/79/59/973717959.db2.gz	FMHGBCKRFXOXQN-NSHDSACASA-N	-1	0	260.265	0.435	20	30		CCEDRM
Cn1nc(C(=O)[O-])cc1CN=Nc1ncncc1F	ZINC001605540104	973742987	/nfs/dbraw/zinc/74/29/87/973742987.db2.gz	MPNMUJYPNMKJRI-UHFFFAOYSA-N	-1	0	264.220	0.493	20	30		CCEDRM
N#CC[C@@H]1CCCN(C(=O)c2cc(C(=O)[O-])n[nH]2)C1	ZINC001605582312	973865957	/nfs/dbraw/zinc/86/59/57/973865957.db2.gz	ZRVASLSIAHPEFE-QMMMGPOBSA-N	-1	0	262.269	0.874	20	30		CCEDRM
N#CC1CCC(COC(=O)COCC(=O)[O-])CC1	ZINC001605583179	973870383	/nfs/dbraw/zinc/87/03/83/973870383.db2.gz	MLWKBDJHZOGZNM-UHFFFAOYSA-N	-1	0	255.270	0.961	20	30		CCEDRM
N#CC1(Cn2cc(CN3CCC[C@H]3C(=O)[O-])nn2)CC1	ZINC001605583221	973871478	/nfs/dbraw/zinc/87/14/78/973871478.db2.gz	OMAHYHWILKCXEZ-NSHDSACASA-N	-1	0	275.312	0.631	20	30		CCEDRM
N#CCN1CCC[C@@H](CNC(=O)[C@H]2CC[C@H]2C(=O)[O-])C1	ZINC001605585861	973877632	/nfs/dbraw/zinc/87/76/32/973877632.db2.gz	KIZAARHLCXROMR-SDDRHHMPSA-N	-1	0	279.340	0.449	20	30		CCEDRM
N#Cc1cc(CN2CCO[C@H](C(=O)[O-])C2)cs1	ZINC001605592078	973893080	/nfs/dbraw/zinc/89/30/80/973893080.db2.gz	SHJAPCNYTOFWQW-JTQLQIEISA-N	-1	0	252.295	0.905	20	30		CCEDRM
N#Cc1ccc(C(F)(F)F)n(CC(=O)C(=O)[O-])c1=O	ZINC001605602138	973910058	/nfs/dbraw/zinc/91/00/58/973910058.db2.gz	RLSXXOALLZSABA-UHFFFAOYSA-N	-1	0	274.154	0.392	20	30		CCEDRM
N#Cc1ccc(CC(=O)NCC2(C(=O)[O-])CCC2)cn1	ZINC001605602078	973910344	/nfs/dbraw/zinc/91/03/44/973910344.db2.gz	PDHXWACCDPXNLJ-UHFFFAOYSA-N	-1	0	273.292	0.867	20	30		CCEDRM
N#Cc1ccc(CCNC(=O)[C@]2(C(=O)[O-])CCCO2)cc1	ZINC001605602040	973910468	/nfs/dbraw/zinc/91/04/68/973910468.db2.gz	MCPGRIGBRHDBOQ-HNNXBMFYSA-N	-1	0	288.303	0.851	20	30		CCEDRM
N#Cc1cc(N2C[C@@H](O)C[C@H](C(=O)[O-])C2)c([N+](=O)[O-])s1	ZINC000407258417	973921869	/nfs/dbraw/zinc/92/18/69/973921869.db2.gz	FTBILAOFHSBBMO-BQBZGAKWSA-N	-1	0	297.292	0.800	20	30		CCEDRM
N#Cc1csc(C(=O)O[C@H]2CCN(CC(=O)[O-])C2=O)c1	ZINC001605625944	973950105	/nfs/dbraw/zinc/95/01/05/973950105.db2.gz	DBDJSGKEEDNIJC-QMMMGPOBSA-N	-1	0	294.288	0.462	20	30		CCEDRM
O=C([O-])c1cccnc1N=NCc1cnc2n1CCOC2	ZINC001606528937	974041047	/nfs/dbraw/zinc/04/10/47/974041047.db2.gz	UWHPYJPOBULZBQ-UHFFFAOYSA-N	-1	0	287.279	0.953	20	30		CCEDRM
CCn1ccnc1C(C#N)C(=O)COCC(=O)[O-]	ZINC001604018408	974531411	/nfs/dbraw/zinc/53/14/11/974531411.db2.gz	QKJVCCDIKCKEJF-MRVPVSSYSA-N	-1	0	251.242	0.180	20	30		CCEDRM
CC(C)OCCNN=Cc1cccn1CC(=O)[O-]	ZINC001591726474	975687727	/nfs/dbraw/zinc/68/77/27/975687727.db2.gz	XXBOLZZBUSUWAF-UHFFFAOYSA-N	-1	0	253.302	0.921	20	30		CCEDRM
CC(C)[C@H](C#N)NS(=O)(=O)c1cc(C(=O)[O-])co1	ZINC001591852866	976139619	/nfs/dbraw/zinc/13/96/19/976139619.db2.gz	XTCOFVRVTLLQEF-QMMMGPOBSA-N	-1	0	272.282	0.804	20	30		CCEDRM
C[C@@H](CC#N)N[C@@H]1CCCN(CCC(=O)[O-])C1=O	ZINC001592221916	977402923	/nfs/dbraw/zinc/40/29/23/977402923.db2.gz	OMOLNPXAWOBBCT-VHSXEESVSA-N	-1	0	253.302	0.344	20	30		CCEDRM
C[C@@H](CC(=O)[O-])C(=O)NCC#C[C@@H]1CCCCO1	ZINC001592351438	977824924	/nfs/dbraw/zinc/82/49/24/977824924.db2.gz	JZPGZGXBLZQPHS-QWRGUYRKSA-N	-1	0	253.298	0.786	20	30		CCEDRM
CC[C@H](CC#N)NC(=O)Nc1ccc(C(=O)[O-])nn1	ZINC001595029389	979156425	/nfs/dbraw/zinc/15/64/25/979156425.db2.gz	ACBTVQKYFOGTMY-SSDOTTSWSA-N	-1	0	263.257	0.989	20	30		CCEDRM
CC[C@H]1CN(c2ccc(C(=O)[O-])nc2C#N)C[C@@H]1O	ZINC001595491770	981251477	/nfs/dbraw/zinc/25/14/77/981251477.db2.gz	CLBVDJNEZJWMKP-UFBFGSQYSA-N	-1	0	261.281	0.859	20	30		CCEDRM
CC[C@@H](C)[C@H](C(=O)OC)N(CC#N)CCC(=O)[O-]	ZINC001594873792	982195848	/nfs/dbraw/zinc/19/58/48/982195848.db2.gz	PMIANEVIYHHIGM-MWLCHTKSSA-N	-1	0	256.302	0.874	20	30		CCEDRM
CC[C@@H](C)[C@H](NC(=O)COC(=O)CC1(C#N)CC1)C(=O)[O-]	ZINC001594898384	982347436	/nfs/dbraw/zinc/34/74/36/982347436.db2.gz	VSDGILGOWYEPQJ-SKDRFNHKSA-N	-1	0	296.323	0.839	20	30		CCEDRM
CC[C@H](C)[C@H](NC(=O)Cn1ccnc1C#N)C(=O)[O-]	ZINC001594908518	982399522	/nfs/dbraw/zinc/39/95/22/982399522.db2.gz	HCZKKGNDNWBOSA-KWQFWETISA-N	-1	0	264.285	0.370	20	30		CCEDRM
CC[C@@H](C)N(CC(=O)[O-])C(=O)[C@@H](C)n1cnc(C#N)n1	ZINC001594967795	982730172	/nfs/dbraw/zinc/73/01/72/982730172.db2.gz	BPQIOHFMRBPTEC-RKDXNWHRSA-N	-1	0	279.300	0.422	20	30		CCEDRM
CC[C@@H](C)C[C@@H](NC(=O)Cn1cnc(C#N)n1)C(=O)[O-]	ZINC001573674405	983081090	/nfs/dbraw/zinc/08/10/90/983081090.db2.gz	WDWBRMADOJNAEB-RKDXNWHRSA-N	-1	0	279.300	0.155	20	30		CCEDRM
C#C[C@@H](C)NS(=O)(=O)c1ccc(C#N)cc1C(=O)[O-]	ZINC001588367676	983300552	/nfs/dbraw/zinc/30/05/52/983300552.db2.gz	AAYHNVNQDXQXIM-MRVPVSSYSA-N	-1	0	278.289	0.556	20	30		CCEDRM
C#C[C@H](C)NC(=O)C(=O)Nc1ccc(F)cc1C(=O)[O-]	ZINC001588368644	983306975	/nfs/dbraw/zinc/30/69/75/983306975.db2.gz	PTXLAWSKCFTSQZ-ZETCQYMHSA-N	-1	0	278.239	0.600	20	30		CCEDRM
C#C[C@@H](CC)NC(=O)C(=O)Nc1ccc(F)c(C(=O)[O-])c1	ZINC001588369458	983314297	/nfs/dbraw/zinc/31/42/97/983314297.db2.gz	MNEQYGONFLBYRX-QMMMGPOBSA-N	-1	0	292.266	0.990	20	30		CCEDRM
C#C[C@@H](CC)NC(=O)C(=O)Nc1cccc(F)c1C(=O)[O-]	ZINC001588369725	983316795	/nfs/dbraw/zinc/31/67/95/983316795.db2.gz	UQKWFPNWJSGPCM-QMMMGPOBSA-N	-1	0	292.266	0.990	20	30		CCEDRM
C#C[C@@H](NC(=O)N[C@H]1CC=C(C(=O)[O-])C1)C1CCOCC1	ZINC001588372316	983330081	/nfs/dbraw/zinc/33/00/81/983330081.db2.gz	HWQAHISOFVUIRZ-QWHCGFSZSA-N	-1	0	292.335	0.887	20	30		CCEDRM
C#C[C@H](NS(=O)(=O)c1occc1C(=O)[O-])C(C)C	ZINC001588376219	983350055	/nfs/dbraw/zinc/35/00/55/983350055.db2.gz	QSXWBUTVMCSRIJ-VIFPVBQESA-N	-1	0	271.294	0.914	20	30		CCEDRM
C#C[C@@H](NS(=O)(=O)c1ccc(C(=O)[O-])nc1)C(C)C	ZINC001588376516	983351920	/nfs/dbraw/zinc/35/19/20/983351920.db2.gz	UGJJVUBRUQHLHP-SNVBAGLBSA-N	-1	0	282.321	0.716	20	30		CCEDRM
C#CC1(O)CCN(C(=O)C(=C)CCC(=O)[O-])CC1	ZINC001588379349	983363449	/nfs/dbraw/zinc/36/34/49/983363449.db2.gz	FKOHTSCCLSDKBG-UHFFFAOYSA-N	-1	0	251.282	0.394	20	30		CCEDRM
C#CC1(NC(=O)c2cnc(C(=O)[O-])cn2)CCCC1	ZINC001588379716	983365195	/nfs/dbraw/zinc/36/51/95/983365195.db2.gz	PNUHGFGOYRZDGL-UHFFFAOYSA-N	-1	0	259.265	0.851	20	30		CCEDRM
C#C[C@H]1CCCCN1S(=O)(=O)[C@H]1C[C@@H](C(=O)[O-])C1	ZINC001588382253	983370050	/nfs/dbraw/zinc/37/00/50/983370050.db2.gz	LBGBDQDNPVJQJH-GARJFASQSA-N	-1	0	271.338	0.667	20	30		CCEDRM
C#C[C@@H]1COCCN1C(=O)Nc1cccc(C(=O)[O-])n1	ZINC001588383966	983385716	/nfs/dbraw/zinc/38/57/16/983385716.db2.gz	QRAMEFFIZSNONV-SECBINFHSA-N	-1	0	275.264	0.646	20	30		CCEDRM
C#C[C@@H]1COCCN1C(=O)/C=C/c1cc(C(=O)[O-])co1	ZINC001588384027	983386451	/nfs/dbraw/zinc/38/64/51/983386451.db2.gz	SNLSSZHIUHWRST-PGLGOXFNSA-N	-1	0	275.260	0.852	20	30		CCEDRM
C#CC[C@@H](NC(=O)/C=C/c1cc(C(=O)[O-])co1)C(=O)OC	ZINC001588405722	983422497	/nfs/dbraw/zinc/42/24/97/983422497.db2.gz	IMGIVLBOOFXKCA-MVIFTORASA-N	-1	0	291.259	0.672	20	30		CCEDRM
C#CC[C@H](NC(=O)CCCNC(=O)OC(C)(C)C)C(=O)[O-]	ZINC001588406652	983426052	/nfs/dbraw/zinc/42/60/52/983426052.db2.gz	RVYYADXLOYWPOV-JTQLQIEISA-N	-1	0	298.339	0.884	20	30		CCEDRM
C#CC[C@H](NC(=O)Cc1ccc(O)c(F)c1)C(=O)[O-]	ZINC001588406798	983426383	/nfs/dbraw/zinc/42/63/83/983426383.db2.gz	ACRNCYPLXJWBHK-JTQLQIEISA-N	-1	0	265.240	0.667	20	30		CCEDRM
C#CC[C@@H](NC(=O)Cc1ccnc(OC)c1)C(=O)[O-]	ZINC001588408031	983430108	/nfs/dbraw/zinc/43/01/08/983430108.db2.gz	VPPPINSUOJWDCW-SNVBAGLBSA-N	-1	0	262.265	0.225	20	30		CCEDRM
C#CC[C@H](NC(=O)Cc1ccccc1CO)C(=O)[O-]	ZINC001588408051	983430145	/nfs/dbraw/zinc/43/01/45/983430145.db2.gz	WASMZTHTWAFSPN-LBPRGKRZSA-N	-1	0	261.277	0.314	20	30		CCEDRM
C#CC[C@H](NC(=O)c1c(C)[nH]c(C(=O)OC)c1C)C(=O)[O-]	ZINC001588414370	983433768	/nfs/dbraw/zinc/43/37/68/983433768.db2.gz	RZVWHYIFDFDEIS-VIFPVBQESA-N	-1	0	292.291	0.624	20	30		CCEDRM
C#CC[C@H](NC(=O)c1cc(C(=O)[O-])ccn1)C(=O)OC	ZINC001588414593	983434594	/nfs/dbraw/zinc/43/45/94/983434594.db2.gz	WQZRUBGNQHJZBE-VIFPVBQESA-N	-1	0	276.248	0.075	20	30		CCEDRM
C#CC[C@@H](NC(=O)c1cn(-c2ccc(C)cc2)nn1)C(=O)[O-]	ZINC001588416231	983436345	/nfs/dbraw/zinc/43/63/45/983436345.db2.gz	LBLSRWDEBQZJBK-GFCCVEGCSA-N	-1	0	298.302	0.782	20	30		CCEDRM
C#CC[C@@H](NC(=O)c1cnc(OCC)cn1)C(=O)[O-]	ZINC001588416312	983436681	/nfs/dbraw/zinc/43/66/81/983436681.db2.gz	MOMSCKIGANEKAE-MRVPVSSYSA-N	-1	0	263.253	0.082	20	30		CCEDRM
C#CC[C@H](NC(=O)c1cnc2ccccn21)C(=O)[O-]	ZINC001588416543	983437107	/nfs/dbraw/zinc/43/71/07/983437107.db2.gz	PBJWYFGISIRHFY-VIFPVBQESA-N	-1	0	257.249	0.541	20	30		CCEDRM
C#CC[C@H](NC(=O)c1ccc2nonc2c1)C(=O)[O-]	ZINC001588417005	983437815	/nfs/dbraw/zinc/43/78/15/983437815.db2.gz	UQBKMRLFMXANMO-VIFPVBQESA-N	-1	0	259.221	0.429	20	30		CCEDRM
C#CC[C@H](NC(=O)c1coc2c1C(=O)NCCC2)C(=O)[O-]	ZINC001588421927	983443711	/nfs/dbraw/zinc/44/37/11/983443711.db2.gz	QAKYALMUHXYZOK-VIFPVBQESA-N	-1	0	290.275	0.162	20	30		CCEDRM
C#CC[C@@H](NC(=O)c1nc(CC)oc1C)C(=O)[O-]	ZINC001588422620	983447578	/nfs/dbraw/zinc/44/75/78/983447578.db2.gz	ZYEREPIYTXAGPO-MRVPVSSYSA-N	-1	0	250.254	0.752	20	30		CCEDRM
C#CCC1(NC(=O)N[C@H]2C[C@@H](C(=O)[O-])C2)CCOCC1	ZINC001588427834	983458592	/nfs/dbraw/zinc/45/85/92/983458592.db2.gz	NRLKFRZCAYNLGA-PHIMTYICSA-N	-1	0	280.324	0.721	20	30		CCEDRM
C#CC[C@H]1CCCN(C(=O)C(=O)N2CC[C@H](C(=O)[O-])C2)C1	ZINC001588431994	983466719	/nfs/dbraw/zinc/46/67/19/983466719.db2.gz	UNNKBDRUXIJRBS-RYUDHWBXSA-N	-1	0	292.335	0.181	20	30		CCEDRM
C#CC[C@H]1CCN(C(=O)NC2CC(C(=O)[O-])C2)C1	ZINC001588434323	983469379	/nfs/dbraw/zinc/46/93/79/983469379.db2.gz	JEEOGJRFKVXMEM-WHXUTIOJSA-N	-1	0	250.298	0.904	20	30		CCEDRM
C#CC[C@H]1NC(=O)N(CCCCCCC(=O)[O-])C1=O	ZINC001588434572	983471023	/nfs/dbraw/zinc/47/10/23/983471023.db2.gz	NKZCUEVNUXSEAD-SNVBAGLBSA-N	-1	0	266.297	0.965	20	30		CCEDRM
C#CCCOC(=O)N[C@H](C(=O)[O-])C1CCOCC1	ZINC001588455739	983480609	/nfs/dbraw/zinc/48/06/09/983480609.db2.gz	RUYHMRBELWBICE-JTQLQIEISA-N	-1	0	255.270	0.616	20	30		CCEDRM
C#CCN(CC#C)C(=O)CCc1ocnc1C(=O)[O-]	ZINC001588464834	983494447	/nfs/dbraw/zinc/49/44/47/983494447.db2.gz	OLZYZRIWWWHMGQ-UHFFFAOYSA-N	-1	0	260.249	0.400	20	30		CCEDRM
C#CCN(CC#N)C[C@@H](O)COc1ccc(C(=O)[O-])cc1	ZINC001588464912	983495481	/nfs/dbraw/zinc/49/54/81/983495481.db2.gz	UEDBBWZTXDOSIM-CYBMUJFWSA-N	-1	0	288.303	0.583	20	30		CCEDRM
C#CCN1CCC[C@H](NC(=O)C[C@@H](C)CC(=O)[O-])C1	ZINC001588475322	983508496	/nfs/dbraw/zinc/50/84/96/983508496.db2.gz	BZDJPUHZXQCTEV-NEPJUHHUSA-N	-1	0	266.341	0.701	20	30		CCEDRM
C#CCN1CCCN(C(=O)C2(C(=O)[O-])CC2)CC1	ZINC001588477590	983516808	/nfs/dbraw/zinc/51/68/08/983516808.db2.gz	VNHPGMUPJQPQNG-UHFFFAOYSA-N	-1	0	250.298	0.019	20	30		CCEDRM
C#CCNC(=O)N1CC[C@@H](c2ncc(C(=O)[O-])s2)C1	ZINC001588484227	983523097	/nfs/dbraw/zinc/52/30/97/983523097.db2.gz	VYMPYFHTQIAFCY-MRVPVSSYSA-N	-1	0	279.321	0.973	20	30		CCEDRM
C#CCNCC(=O)Nc1nnc(CCCC(=O)[O-])s1	ZINC001588485371	983525042	/nfs/dbraw/zinc/52/50/42/983525042.db2.gz	MMTGGSZMNJAKGS-UHFFFAOYSA-N	-1	0	282.325	0.107	20	30		CCEDRM
C#CCNC(=S)N1CC[C@@](C(=O)[O-])(C(F)(F)F)C1	ZINC001588485524	983525758	/nfs/dbraw/zinc/52/57/58/983525758.db2.gz	VANQFCROJDEQOY-SECBINFHSA-N	-1	0	280.271	0.833	20	30		CCEDRM
C#CCNS(=O)(=O)c1ccc(C(=O)[O-])c([N+](=O)[O-])c1	ZINC001588485928	983525995	/nfs/dbraw/zinc/52/59/95/983525995.db2.gz	BLGXIZUVPQHLSF-UHFFFAOYSA-N	-1	0	284.249	0.205	20	30		CCEDRM
C#CCNS(=O)(=O)c1cc(C(=O)[O-])c(F)cc1OC	ZINC001588485973	983526456	/nfs/dbraw/zinc/52/64/56/983526456.db2.gz	DKDVYOCFZDVVIY-UHFFFAOYSA-N	-1	0	287.268	0.444	20	30		CCEDRM
C#CCNS(=O)(=O)c1ccc(C(=O)[O-])c(C(=O)OC)c1	ZINC001588486052	983526745	/nfs/dbraw/zinc/52/67/45/983526745.db2.gz	JZZJCBRTNKZAAN-UHFFFAOYSA-N	-1	0	297.288	0.083	20	30		CCEDRM
C#CCOCCNC(=O)c1cccc(CC(=O)[O-])c1	ZINC001588491121	983534913	/nfs/dbraw/zinc/53/49/13/983534913.db2.gz	DIXKEAVUPBJCDN-UHFFFAOYSA-N	-1	0	261.277	0.693	20	30		CCEDRM
C#Cc1ccc(C(=O)N[C@@](C)(Cn2cccn2)C(=O)[O-])cn1	ZINC001588510744	983556835	/nfs/dbraw/zinc/55/68/35/983556835.db2.gz	JNSCHCSOPJMNAS-HNNXBMFYSA-N	-1	0	298.302	0.533	20	30		CCEDRM
C#Cc1ccc(C(=O)Nc2nn(C)cc2C(=O)[O-])cn1	ZINC001588516607	983561522	/nfs/dbraw/zinc/56/15/22/983561522.db2.gz	SDKCRDFGULRDFD-UHFFFAOYSA-N	-1	0	270.248	0.747	20	30		CCEDRM
C#Cc1ccccc1CC(=O)N1CCC[C@@H](O)[C@H]1C(=O)[O-]	ZINC001588524542	983575459	/nfs/dbraw/zinc/57/54/59/983575459.db2.gz	NGAMNEVHZHENBC-HIFRSBDPSA-N	-1	0	287.315	0.647	20	30		CCEDRM
C=C(C)C(C)(C)C(=O)N1C[C@H](C(=O)OC)[C@H](C(=O)[O-])C1	ZINC001588530125	983583521	/nfs/dbraw/zinc/58/35/21/983583521.db2.gz	QYIOLROWNHLCFC-ZJUUUORDSA-N	-1	0	283.324	0.921	20	30		CCEDRM
C=C(C)C[C@H](NC(=O)[C@H]1CCC[C@@H](C(N)=O)C1)C(=O)[O-]	ZINC001588537611	983600826	/nfs/dbraw/zinc/60/08/26/983600826.db2.gz	TWVKRHNQFHBFSS-VWYCJHECSA-N	-1	0	282.340	0.814	20	30		CCEDRM
C=C(C)C[C@@H](NC(=O)[C@H]1CCN(C)C(=O)C1)C(=O)[O-]	ZINC001588540166	983603151	/nfs/dbraw/zinc/60/31/51/983603151.db2.gz	BGCYDAUJGDRISL-VHSXEESVSA-N	-1	0	268.313	0.390	20	30		CCEDRM
CCN(CC(=O)[O-])CC(=O)N(CC)C[C@H](C)C#N	ZINC001596222041	983612981	/nfs/dbraw/zinc/61/29/81/983612981.db2.gz	APMSLHODBYVVPB-SNVBAGLBSA-N	-1	0	255.318	0.401	20	30		CCEDRM
C=C(C)C[C@H](NC(=O)c1c[nH]c(=O)c([N+](=O)[O-])c1)C(=O)[O-]	ZINC001588547487	983620277	/nfs/dbraw/zinc/62/02/77/983620277.db2.gz	CXWKBNYLBBEEDD-QMMMGPOBSA-N	-1	0	295.251	0.845	20	30		CCEDRM
C=C(C)C[C@@H](NC(=O)c1cnc2c(c1)nnn2C)C(=O)[O-]	ZINC001588548015	983622292	/nfs/dbraw/zinc/62/22/92/983622292.db2.gz	KVAMNFROODFHCF-SNVBAGLBSA-N	-1	0	289.295	0.513	20	30		CCEDRM
C=C(C)C[C@H](NC(=O)c1coc(OC)n1)C(=O)[O-]	ZINC001588548019	983622748	/nfs/dbraw/zinc/62/27/48/983622748.db2.gz	KVURRBGCRVBJLI-ZETCQYMHSA-N	-1	0	254.242	0.832	20	30		CCEDRM
C=C(C)C[C@@H](NS(=O)(=O)CCCC(=O)[O-])C(=O)OC	ZINC001588553180	983627733	/nfs/dbraw/zinc/62/77/33/983627733.db2.gz	ITKBNWCVHZXQFH-SECBINFHSA-N	-1	0	293.341	0.278	20	30		CCEDRM
C=C(C)C[C@H](NS(=O)(=O)CCn1cccn1)C(=O)[O-]	ZINC001588553849	983628986	/nfs/dbraw/zinc/62/89/86/983628986.db2.gz	UJQBIVIILPSZFE-JTQLQIEISA-N	-1	0	287.341	0.222	20	30		CCEDRM
C=C(C)C[C@H](NS(=O)(=O)c1cncc(C#N)c1)C(=O)[O-]	ZINC001588555805	983637360	/nfs/dbraw/zinc/63/73/60/983637360.db2.gz	SQJVJWPXCJLLRJ-NSHDSACASA-N	-1	0	295.320	0.651	20	30		CCEDRM
C=C(C)CS(=O)(=O)N1CCC([C@@H](O)C(=O)[O-])CC1	ZINC001588576862	983654444	/nfs/dbraw/zinc/65/44/44/983654444.db2.gz	CZALXJDMMDMZRI-SNVBAGLBSA-N	-1	0	277.342	0.050	20	30		CCEDRM
C=C(CCC(=O)[O-])C(=O)N1CCC(N2CN=NC2=O)CC1	ZINC001588613840	983705239	/nfs/dbraw/zinc/70/52/39/983705239.db2.gz	FRNBVHGDALSZNR-UHFFFAOYSA-N	-1	0	294.311	0.568	20	30		CCEDRM
C=C(CCC(=O)[O-])C(=O)N1CCC(C(N)=O)CC1	ZINC001588614398	983707657	/nfs/dbraw/zinc/70/76/57/983707657.db2.gz	TYHOSUNSSQJZOL-UHFFFAOYSA-N	-1	0	254.286	0.131	20	30		CCEDRM
C=C(CCC(=O)[O-])C(=O)N1CCCS(=O)(=O)C[C@@H]1C	ZINC001588615423	983711708	/nfs/dbraw/zinc/71/17/08/983711708.db2.gz	UAOQQKVXENPQKV-JTQLQIEISA-N	-1	0	289.353	0.443	20	30		CCEDRM
C=C(CCC(=O)[O-])C(=O)N1CCO[C@H](c2ccnn2C)C1	ZINC001588619454	983717232	/nfs/dbraw/zinc/71/72/32/983717232.db2.gz	USRJSLRRRKREJB-LBPRGKRZSA-N	-1	0	293.323	0.741	20	30		CCEDRM
C=C(CCC(=O)[O-])C(=O)N[C@H](C)c1nccc(N)n1	ZINC001588622296	983722957	/nfs/dbraw/zinc/72/29/57/983722957.db2.gz	UHGKEUBSWDGCFU-MRVPVSSYSA-N	-1	0	264.285	0.657	20	30		CCEDRM
C=C(CCC(=O)[O-])C(=O)N[C@@H]1CCO[C@]2(CCOC2)C1	ZINC001588623253	983727504	/nfs/dbraw/zinc/72/75/04/983727504.db2.gz	NOCFXZABXXSNRS-BXUZGUMPSA-N	-1	0	283.324	0.862	20	30		CCEDRM
C=C(CCC(=O)[O-])C(=O)NCC(=O)N1CCCCC1	ZINC001588623289	983727638	/nfs/dbraw/zinc/72/76/38/983727638.db2.gz	OEXAZAJOLJTFNG-UHFFFAOYSA-N	-1	0	268.313	0.536	20	30		CCEDRM
C=C(CCC(=O)[O-])C(=O)N[C@H]1CCNC(=O)CC1	ZINC001588623416	983727972	/nfs/dbraw/zinc/72/79/72/983727972.db2.gz	PLJSXAKQUIJLKR-SECBINFHSA-N	-1	0	254.286	0.192	20	30		CCEDRM
C=C(CCC(=O)[O-])C(=O)NC[C@]1(OC)CCOC1	ZINC001588623786	983729675	/nfs/dbraw/zinc/72/96/75/983729675.db2.gz	XKAZMMCVOZABQY-GFCCVEGCSA-N	-1	0	257.286	0.329	20	30		CCEDRM
C=C(CCC(=O)[O-])C(=O)NC[C@@H]1CC[C@H](C(=O)N(C)C)O1	ZINC001588624510	983732739	/nfs/dbraw/zinc/73/27/39/983732739.db2.gz	LDQLQYDCGQUPDY-WDEREUQCSA-N	-1	0	298.339	0.159	20	30		CCEDRM
C=C(Cl)COC(=O)CN1CCC[C@H](C(=O)[O-])C1=O	ZINC001588643405	983766158	/nfs/dbraw/zinc/76/61/58/983766158.db2.gz	INVBJKDXYQZMET-QMMMGPOBSA-N	-1	0	275.688	0.605	20	30		CCEDRM
C=C[C@@H](C(=O)[O-])[N@@H+]1CCC[C@@H](c2n[nH]c(=O)[n-]2)C1	ZINC001588662826	983792205	/nfs/dbraw/zinc/79/22/05/983792205.db2.gz	HWLVWQYTTZWAFZ-SFYZADRCSA-N	-1	0	252.274	0.329	20	30		CCEDRM
C=C[C@@H](C(=O)[O-])N(C)Cc1nc([C@H](C)OC)no1	ZINC001588664195	983799099	/nfs/dbraw/zinc/79/90/99/983799099.db2.gz	OCDJVZUGCLSWEZ-YUMQZZPRSA-N	-1	0	255.274	0.848	20	30		CCEDRM
C=C[C@@H](C(=O)OC)N1CCC2(C[C@H]2C(=O)[O-])CC1	ZINC001588671726	983821774	/nfs/dbraw/zinc/82/17/74/983821774.db2.gz	HJTNINNPOMQVTC-UWVGGRQHSA-N	-1	0	253.298	0.901	20	30		CCEDRM
C=CC(C)(C)C(=O)N1CCN(C(=O)[C@@H]2C[C@H]2C(=O)[O-])CC1	ZINC001588671990	983823491	/nfs/dbraw/zinc/82/34/91/983823491.db2.gz	MNAMFUVIPNHDBL-GHMZBOCLSA-N	-1	0	294.351	0.590	20	30		CCEDRM
C=C[C@](C)(CCOC)C(=O)N1C[C@@H](O)C[C@H](C(=O)[O-])C1	ZINC001588682553	983843784	/nfs/dbraw/zinc/84/37/84/983843784.db2.gz	NRQUIWXTRXEZLJ-COPLHBTASA-N	-1	0	285.340	0.509	20	30		CCEDRM
C=C[C@@](C)(O)CC(=O)Nc1ccn(C(C)(C)C(=O)[O-])n1	ZINC001588683623	983849667	/nfs/dbraw/zinc/84/96/67/983849667.db2.gz	AUCLTOVLVDPWOT-CYBMUJFWSA-N	-1	0	281.312	0.968	20	30		CCEDRM
C=C[C@@](C)(O)CC(=O)N[C@@H](C(=O)[O-])c1cccnc1	ZINC001588684334	983858922	/nfs/dbraw/zinc/85/89/22/983858922.db2.gz	OWLLXQGOLCCIPT-DGCLKSJQSA-N	-1	0	264.281	0.651	20	30		CCEDRM
C=C[C@H](COC)NC(=O)N1CCC[C@@H]1CC(=O)[O-]	ZINC001588692423	983882023	/nfs/dbraw/zinc/88/20/23/983882023.db2.gz	BNAPDHMNCFOIKM-NXEZZACHSA-N	-1	0	256.302	0.836	20	30		CCEDRM
C=C[C@@H](OC(=O)[C@H](C(C)C)N1CCCC1=O)C(=O)[O-]	ZINC001588703912	983922666	/nfs/dbraw/zinc/92/26/66/983922666.db2.gz	AYIXEBLGKBYJOS-KOLCDFICSA-N	-1	0	269.297	0.816	20	30		CCEDRM
C=C[C@H](OC(=O)[C@@H](C)NC(=O)c1ccccc1)C(=O)[O-]	ZINC001588705405	983926886	/nfs/dbraw/zinc/92/68/86/983926886.db2.gz	MWUGAFXUPLQQOB-KOLCDFICSA-N	-1	0	277.276	0.987	20	30		CCEDRM
C=C[C@H](OC(=O)[C@H](C)NC(=O)c1ccccc1)C(=O)[O-]	ZINC001588705407	983927006	/nfs/dbraw/zinc/92/70/06/983927006.db2.gz	MWUGAFXUPLQQOB-ONGXEEELSA-N	-1	0	277.276	0.987	20	30		CCEDRM
C=C[C@H](O)C(=O)NCc1ccc(C(=O)[O-])c(OC)c1	ZINC001588705372	983927033	/nfs/dbraw/zinc/92/70/33/983927033.db2.gz	MCRCXCJGBILIJP-JTQLQIEISA-N	-1	0	265.265	0.557	20	30		CCEDRM
C=C[C@H](OC(=O)[C@H]1COCCN1CC(F)F)C(=O)[O-]	ZINC001588710984	983935573	/nfs/dbraw/zinc/93/55/73/983935573.db2.gz	KWWHKJVMYKUNTM-SFYZADRCSA-N	-1	0	279.239	0.135	20	30		CCEDRM
C=C[C@@H](OC(=O)Cc1ncccc1OC)C(=O)[O-]	ZINC001588711103	983936006	/nfs/dbraw/zinc/93/60/06/983936006.db2.gz	LVGLFDQFQREORZ-SECBINFHSA-N	-1	0	251.238	0.815	20	30		CCEDRM
C=C[C@H](OC(=O)c1cn(C[C@@H]2CCOC2)nn1)C(=O)[O-]	ZINC001588711594	983938625	/nfs/dbraw/zinc/93/86/25/983938625.db2.gz	BKRQZGUMLHCFOH-WPRPVWTQSA-N	-1	0	281.268	0.111	20	30		CCEDRM
C=C[C@H](OC(=O)[C@@H]1CCc2n[nH]cc2C1)C(=O)[O-]	ZINC001588712359	983943663	/nfs/dbraw/zinc/94/36/63/983943663.db2.gz	VIZQKFQCTRZXEC-XCBNKYQSSA-N	-1	0	250.254	0.697	20	30		CCEDRM
C=C[C@@H](Sc1nnnn1CC(F)(F)F)C(=O)[O-]	ZINC001588714958	983953987	/nfs/dbraw/zinc/95/39/87/983953987.db2.gz	QIXJPRCWQYTQNL-SCSAIBSYSA-N	-1	0	268.220	0.967	20	30		CCEDRM
C=CC1CCN(C(=O)C(=O)N(C)[C@H]2C[C@@H](C(=O)[O-])C2)CC1	ZINC001588718396	983956298	/nfs/dbraw/zinc/95/62/98/983956298.db2.gz	APPQQXRIKMVWLS-TXEJJXNPSA-N	-1	0	294.351	0.733	20	30		CCEDRM
C=CC[C@@H](CO)CNS(=O)(=O)c1occc1C(=O)[O-]	ZINC001588737947	984031122	/nfs/dbraw/zinc/03/11/22/984031122.db2.gz	XPUVKJJJRNRMNF-MRVPVSSYSA-N	-1	0	289.309	0.441	20	30		CCEDRM
C=CCC(F)(F)C(=O)N1CCC[C@H]1C(=O)NCC(=O)[O-]	ZINC001588743491	984037977	/nfs/dbraw/zinc/03/79/77/984037977.db2.gz	YMLCJQODWIZQFW-QMMMGPOBSA-N	-1	0	290.266	0.390	20	30		CCEDRM
C=CC[C@H](CO)NS(=O)(=O)[C@H]1CCCC[C@@H]1C(=O)[O-]	ZINC001588744040	984040641	/nfs/dbraw/zinc/04/06/41/984040641.db2.gz	GSBSBYJOODGLMY-VWYCJHECSA-N	-1	0	291.369	0.486	20	30		CCEDRM
C=CC[C@H](OC(=O)C1C[C@@H]2COC[C@H](C1)C2=O)C(=O)[O-]	ZINC001588753591	984087016	/nfs/dbraw/zinc/08/70/16/984087016.db2.gz	KHUBVRIMKWRTNZ-GYIHNLGQSA-N	-1	0	282.292	0.801	20	30		CCEDRM
C=CC[C@H](OC(=O)[C@@H]1C[C@H](C)[C@@H](C(=O)[O-])O1)C(=O)OC	ZINC001588756027	984095902	/nfs/dbraw/zinc/09/59/02/984095902.db2.gz	FQKGMYOAEAIQOM-XKNYDFJKSA-N	-1	0	286.280	0.526	20	30		CCEDRM
C=CC[C@@H](OC(=O)c1cc(C(=O)OC)nn1C)C(=O)[O-]	ZINC001588756966	984100245	/nfs/dbraw/zinc/10/02/45/984100245.db2.gz	QWVPPYPDSYGDNM-SECBINFHSA-N	-1	0	282.252	0.393	20	30		CCEDRM
C=CC[C@@H](OC(=O)[C@@H]1C[C@H](C)[C@@H](C(=O)OC)O1)C(=O)[O-]	ZINC001588757078	984101423	/nfs/dbraw/zinc/10/14/23/984101423.db2.gz	UUQQQUOGMHLRDD-JXUBOQSCSA-N	-1	0	286.280	0.526	20	30		CCEDRM
C=CC[C@@H](OC(=O)c1cn(C)ccc1=O)C(=O)[O-]	ZINC001588758034	984104822	/nfs/dbraw/zinc/10/48/22/984104822.db2.gz	DOGQZIKAHDSFNT-SNVBAGLBSA-N	-1	0	251.238	0.571	20	30		CCEDRM
C=CC[C@H](Sc1nnc(-c2cc(C)[nH]n2)n1N)C(=O)[O-]	ZINC001588759321	984110832	/nfs/dbraw/zinc/11/08/32/984110832.db2.gz	RRRLSZZXEDZWGG-QMMMGPOBSA-N	-1	0	294.340	0.812	20	30		CCEDRM
C=CCC[C@H](CO)NC(=O)c1ccnc(C(=O)[O-])c1	ZINC001588777573	984156819	/nfs/dbraw/zinc/15/68/19/984156819.db2.gz	DLLZXACCBYQSQY-SNVBAGLBSA-N	-1	0	264.281	0.837	20	30		CCEDRM
C=CCC[C@@H](CO)NC(=O)c1ccc(C(=O)[O-])cn1	ZINC001588777809	984157858	/nfs/dbraw/zinc/15/78/58/984157858.db2.gz	LWCOBPNFEFWPCW-JTQLQIEISA-N	-1	0	264.281	0.837	20	30		CCEDRM
C=CCC[C@H](CO)NC(=O)[C@H]1CC[C@@H](CCC(=O)[O-])O1	ZINC001588778207	984159994	/nfs/dbraw/zinc/15/99/94/984159994.db2.gz	XPTRCVBCXMEELL-GRYCIOLGSA-N	-1	0	285.340	0.842	20	30		CCEDRM
C=CCC[C@H](O)CN[C@H](C(=O)[O-])c1ccnn1C	ZINC001588778746	984162541	/nfs/dbraw/zinc/16/25/41/984162541.db2.gz	KXRRGECTRCVYST-ONGXEEELSA-N	-1	0	253.302	0.463	20	30		CCEDRM
C=CCCC[C@H](NC(=O)[C@@H](C)n1cnc(C#N)n1)C(=O)[O-]	ZINC001588785383	984180073	/nfs/dbraw/zinc/18/00/73/984180073.db2.gz	GCTQXKVOMBHUJI-ZJUUUORDSA-N	-1	0	291.311	0.636	20	30		CCEDRM
C=CCCC[C@H](NC(=O)CCN1C(=O)CCC1=O)C(=O)[O-]	ZINC001588788541	984191161	/nfs/dbraw/zinc/19/11/61/984191161.db2.gz	GOGJVXGGJWIBJJ-JTQLQIEISA-N	-1	0	296.323	0.451	20	30		CCEDRM
C=CCCC[C@H](NC(=O)[C@H]1C[C@H]1C(=O)OC)C(=O)[O-]	ZINC001588794052	984224163	/nfs/dbraw/zinc/22/41/63/984224163.db2.gz	JZLZFWRHIQSZAZ-AEJSXWLSSA-N	-1	0	269.297	0.721	20	30		CCEDRM
C=CCCCNC(=O)C(=O)N1CCC[C@](C)(C(=O)[O-])C1	ZINC001588801482	984245486	/nfs/dbraw/zinc/24/54/86/984245486.db2.gz	MKXRFIQGICMYDO-AWEZNQCLSA-N	-1	0	282.340	0.782	20	30		CCEDRM
C=CCCCCNC(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)[O-]	ZINC001588802117	984247393	/nfs/dbraw/zinc/24/73/93/984247393.db2.gz	CJDFZMVMYCHRAN-UWVGGRQHSA-N	-1	0	285.344	0.620	20	30		CCEDRM
C=CCCOCC(=O)N1CCSC[C@H]1C(=O)[O-]	ZINC001588810337	984266539	/nfs/dbraw/zinc/26/65/39/984266539.db2.gz	JQRGORNXOAZEJN-VIFPVBQESA-N	-1	0	259.327	0.608	20	30		CCEDRM
C=CCCOCC(=O)N1CC[N@H+](CCC(=O)[O-])[C@@H](C)C1	ZINC001588810506	984267565	/nfs/dbraw/zinc/26/75/65/984267565.db2.gz	UULBWEPNBKMKLB-LBPRGKRZSA-N	-1	0	284.356	0.587	20	30		CCEDRM
C=CCCOCCn1nnnc1N1CC[C@@H](C(=O)[O-])[C@@H]1C	ZINC001588813376	984269648	/nfs/dbraw/zinc/26/96/48/984269648.db2.gz	QGVIEMPIAFILNE-WDEREUQCSA-N	-1	0	295.343	0.565	20	30		CCEDRM
C=CCCn1cc(C(=O)OCc2oncc2C(=O)[O-])nn1	ZINC001588817808	984277753	/nfs/dbraw/zinc/27/77/53/984277753.db2.gz	VXTXIWQYWQEFKZ-UHFFFAOYSA-N	-1	0	292.251	0.897	20	30		CCEDRM
C=CCCn1cc(CN2CC[C@@](OC)(C(=O)[O-])C2)nn1	ZINC001588820086	984281268	/nfs/dbraw/zinc/28/12/68/984281268.db2.gz	PSQDEBDQMBIOIY-ZDUSSCGKSA-N	-1	0	280.328	0.530	20	30		CCEDRM
C=CCN(CC=C)C(=O)[C@H](C)Nc1ccn(CC(=O)[O-])n1	ZINC001588825715	984301243	/nfs/dbraw/zinc/30/12/43/984301243.db2.gz	VMHJNEYNQCKENO-NSHDSACASA-N	-1	0	292.339	0.969	20	30		CCEDRM
C=CCNC(=O)C(=O)Nc1c(C)csc1C(=O)[O-]	ZINC001588838250	984336065	/nfs/dbraw/zinc/33/60/65/984336065.db2.gz	CJTIMBSVSJZUOH-UHFFFAOYSA-N	-1	0	268.294	0.995	20	30		CCEDRM
C=CCNC(=O)[C@@H](C)Sc1nc(C(=O)[O-])c[nH]1	ZINC001588838486	984338414	/nfs/dbraw/zinc/33/84/14/984338414.db2.gz	FLWBTSVBUWQEAZ-ZCFIWIBFSA-N	-1	0	255.299	0.891	20	30		CCEDRM
C=CCO[C@@H]1CCN(CN2C[C@@H](C(=O)[O-])OC2=O)C1	ZINC001588849879	984376225	/nfs/dbraw/zinc/37/62/25/984376225.db2.gz	MWUQWCNHXXRNRK-ZJUUUORDSA-N	-1	0	270.285	0.126	20	30		CCEDRM
C=CCOCC(=O)N1[C@@H]2C[C@H](C(=O)[O-])O[C@H]2CC[C@H]1C	ZINC001588849945	984377016	/nfs/dbraw/zinc/37/70/16/984377016.db2.gz	QAHVGZUSRWUSMK-WISYIIOYSA-N	-1	0	283.324	0.811	20	30		CCEDRM
C=CCOC[C@@H](NC(=O)CC[N@@H+]1CC[C@@H](F)C1)C(=O)[O-]	ZINC001588854012	984387991	/nfs/dbraw/zinc/38/79/91/984387991.db2.gz	NXYOJEBFTKQWPG-GHMZBOCLSA-N	-1	0	288.319	0.192	20	30		CCEDRM
C=CCOC[C@H](NC(=O)/C=C\[C@@H]1CCCO1)C(=O)[O-]	ZINC001588854387	984390490	/nfs/dbraw/zinc/39/04/90/984390490.db2.gz	YOGVSICRBRVLPQ-OBOPVNRVSA-N	-1	0	269.297	0.494	20	30		CCEDRM
C=CCOC[C@H](NC(=O)[C@H](O)/C=C/CCC)C(=O)[O-]	ZINC001588855235	984392053	/nfs/dbraw/zinc/39/20/53/984392053.db2.gz	DUELHCTYMIUOBA-FQLSZKSXSA-N	-1	0	271.313	0.476	20	30		CCEDRM
C=CCOC[C@@H](NC(=O)[C@@H](C)c1cncnc1)C(=O)[O-]	ZINC001588855342	984392265	/nfs/dbraw/zinc/39/22/65/984392265.db2.gz	FJKBDSXUENOMSD-GXSJLCMTSA-N	-1	0	279.296	0.352	20	30		CCEDRM
C=CCOC[C@@H](NC(=O)O[C@H](C)COC)C(=O)[O-]	ZINC001588856521	984401021	/nfs/dbraw/zinc/40/10/21/984401021.db2.gz	LJIZJJHPAVLPBZ-RKDXNWHRSA-N	-1	0	261.274	0.403	20	30		CCEDRM
C=CCOC[C@H](NC(=O)Cc1[nH]cnc1C)C(=O)[O-]	ZINC001588856712	984401468	/nfs/dbraw/zinc/40/14/68/984401468.db2.gz	PDYNTGCUOCOAGU-JTQLQIEISA-N	-1	0	267.285	0.033	20	30		CCEDRM
C=CCOC[C@H](NC(=O)c1c[nH]c(=O)cc1OC)C(=O)[O-]	ZINC001588859274	984404481	/nfs/dbraw/zinc/40/44/81/984404481.db2.gz	GAXVXEPTKVLJDF-VIFPVBQESA-N	-1	0	296.279	0.181	20	30		CCEDRM
C=CCOC[C@H](NC(=O)c1cnc2c[nH]nc2c1)C(=O)[O-]	ZINC001588860060	984410122	/nfs/dbraw/zinc/41/01/22/984410122.db2.gz	HNENGCJIPMZAPR-NSHDSACASA-N	-1	0	290.279	0.344	20	30		CCEDRM
C=CCOC[C@H](NC(=O)c1nnn(C(C)C)c1C)C(=O)[O-]	ZINC001588860215	984411645	/nfs/dbraw/zinc/41/16/45/984411645.db2.gz	MJROVYSDQJVRGV-JTQLQIEISA-N	-1	0	296.327	0.553	20	30		CCEDRM
C=CCS(=O)(=O)CCNC(=O)c1ccc(C(=O)[O-])o1	ZINC001588879001	984456113	/nfs/dbraw/zinc/45/61/13/984456113.db2.gz	QKHCKUHZRDIGAN-UHFFFAOYSA-N	-1	0	287.293	0.308	20	30		CCEDRM
C=CCn1nnnc1N1C[C@H]2CCCC[C@@]2(C(=O)[O-])C1	ZINC001588912325	984551224	/nfs/dbraw/zinc/55/12/24/984551224.db2.gz	FRADYVAMDZLYIG-ZWNOBZJWSA-N	-1	0	277.328	0.940	20	30		CCEDRM
C=C[C@@H]1OCC[C@H]1C(=O)N1C[C@H](C)O[C@H](C(=O)[O-])C1	ZINC001588916845	984563985	/nfs/dbraw/zinc/56/39/85/984563985.db2.gz	HDYUMOHCRLKFHQ-VLEAKVRGSA-N	-1	0	269.297	0.278	20	30		CCEDRM
C=C[C@@H]1OCC[C@H]1C(=O)N1CC2CC1(C(=O)[O-])C2	ZINC001588916865	984564177	/nfs/dbraw/zinc/56/41/77/984564177.db2.gz	IENSOWMTGMABKM-YZOMMJAFSA-N	-1	0	251.282	0.653	20	30		CCEDRM
C=C[C@@H]1OCCC[C@H]1NC(=O)[C@H]1CC[C@@H](C(=O)[O-])O1	ZINC001588917216	984565166	/nfs/dbraw/zinc/56/51/66/984565166.db2.gz	QICLLQKQNIABEB-YTWAJWBKSA-N	-1	0	269.297	0.468	20	30		CCEDRM
C=C[C@@H]1OCC[C@H]1C(=O)N1CC[C@H](OC)C[C@H]1C(=O)[O-]	ZINC001588917314	984566448	/nfs/dbraw/zinc/56/64/48/984566448.db2.gz	WBCFJKWHJZJGMO-USZNOCQGSA-N	-1	0	283.324	0.668	20	30		CCEDRM
C=C[C@H](CO)NC(=O)C(=O)Nc1ccc(C)cc1C(=O)[O-]	ZINC001588920004	984575626	/nfs/dbraw/zinc/57/56/26/984575626.db2.gz	RKOSDXKXWWQIPJ-SECBINFHSA-N	-1	0	292.291	0.295	20	30		CCEDRM
CC#CC[C@@H](CO)NC(=O)c1ccc(C(=O)[O-])o1	ZINC001588925922	984590047	/nfs/dbraw/zinc/59/00/47/984590047.db2.gz	AQKYECHUUJFEPG-QMMMGPOBSA-N	-1	0	251.238	0.482	20	30		CCEDRM
CC#CCNC(=O)C(=O)Nc1sc(C)cc1C(=O)[O-]	ZINC001588931775	984603493	/nfs/dbraw/zinc/60/34/93/984603493.db2.gz	AZHKGUANJVYBLB-UHFFFAOYSA-N	-1	0	280.305	0.833	20	30		CCEDRM
C[C@H]1CN(Cc2cncc(C#N)c2)C[C@@H](C(=O)[O-])O1	ZINC001599929828	985291470	/nfs/dbraw/zinc/29/14/70/985291470.db2.gz	AUYQRHGMXABLGP-CABZTGNLSA-N	-1	0	261.281	0.627	20	30		CCEDRM
Cc1[nH]c(C#N)cc1C(=O)N1C[C@@H](F)C[C@H]1C(=O)[O-]	ZINC001599942358	985470594	/nfs/dbraw/zinc/47/05/94/985470594.db2.gz	GRRILJWGIHKGBA-XVKPBYJWSA-N	-1	0	265.244	0.832	20	30		CCEDRM
C[C@@H]1CN([C@@H](C(=O)[O-])c2ccc(C#N)cc2)C[C@H](CO)O1	ZINC001594501966	985690168	/nfs/dbraw/zinc/69/01/68/985690168.db2.gz	QNIUHJDFRIEKIT-LERXQTSPSA-N	-1	0	290.319	0.766	20	30		CCEDRM
C[C@H](C#N)CNS(=O)(=O)c1ccc(F)cc1C(=O)[O-]	ZINC001589330453	986172206	/nfs/dbraw/zinc/17/22/06/986172206.db2.gz	FYOIZVAETXBARW-SSDOTTSWSA-N	-1	0	286.284	0.962	20	30		CCEDRM
C[C@H](C#N)CNC(=O)N[C@H]1C[C@H]2C[C@@H](C(=O)[O-])C[C@H]21	ZINC001589330683	986177262	/nfs/dbraw/zinc/17/72/62/986177262.db2.gz	NKCFYAAUNYGRIR-ILAIQSSSSA-N	-1	0	265.313	0.945	20	30		CCEDRM
C[C@@H](C#N)CN(C)S(=O)(=O)c1cc(C(=O)[O-])cn1C	ZINC001589330847	986179142	/nfs/dbraw/zinc/17/91/42/986179142.db2.gz	RYXONYROGFSRDM-QMMMGPOBSA-N	-1	0	285.325	0.503	20	30		CCEDRM
CC(C)[C@H](NC(=O)CSCCO[C@H](C)C#N)C(=O)[O-]	ZINC001589332058	986195750	/nfs/dbraw/zinc/19/57/50/986195750.db2.gz	WRLIJAQJQJNPNW-KOLCDFICSA-N	-1	0	288.369	0.874	20	30		CCEDRM
CC(C)(C#N)CC(=O)N(CCN1CCOCC1)CC(=O)[O-]	ZINC001589553531	987290730	/nfs/dbraw/zinc/29/07/30/987290730.db2.gz	CRMIBISQRITKRD-UHFFFAOYSA-N	-1	0	297.355	0.172	20	30		CCEDRM
CC(C)(C)[C@@H](CC(=O)[O-])NC(=O)Cn1cnc(C#N)n1	ZINC001589702452	987799265	/nfs/dbraw/zinc/79/92/65/987799265.db2.gz	HSUKUNDOWCLJIF-MRVPVSSYSA-N	-1	0	279.300	0.155	20	30		CCEDRM
C[C@@H]1C[C@H](C(=O)N[C@]2(C#N)CCSC2)O[C@H]1C(=O)[O-]	ZINC001599873748	989389929	/nfs/dbraw/zinc/38/99/29/989389929.db2.gz	LEGFGZFNMLMNHD-HNBLOZHYSA-N	-1	0	284.337	0.380	20	30		CCEDRM
C[C@@H]1C[C@H](C(=O)N[C@@]2(C#N)CCSC2)O[C@H]1C(=O)[O-]	ZINC001599873749	989390112	/nfs/dbraw/zinc/39/01/12/989390112.db2.gz	LEGFGZFNMLMNHD-MFYTUXHUSA-N	-1	0	284.337	0.380	20	30		CCEDRM
CC(C)(C)OC(=O)N[C@@H](CC(=O)[O-])C(=O)NCCCC#N	ZINC001590237643	989631458	/nfs/dbraw/zinc/63/14/58/989631458.db2.gz	ZIKUMLQMBPCIOG-VIFPVBQESA-N	-1	0	299.327	0.774	20	30		CCEDRM
CCn1cnnc1CCNc1ccc(C(=O)[O-])nc1C#N	ZINC001597923346	989864568	/nfs/dbraw/zinc/86/45/68/989864568.db2.gz	QEWUCGQYTDITOT-UHFFFAOYSA-N	-1	0	286.295	0.917	20	30		CCEDRM
CN(C(=O)CN1CCC(C#N)(C(=O)[O-])CC1)C1CC1	ZINC001598021985	990210384	/nfs/dbraw/zinc/21/03/84/990210384.db2.gz	BXVBTDMZBPOYSB-UHFFFAOYSA-N	-1	0	265.313	0.298	20	30		CCEDRM
CN(C(=O)COCC(=O)[O-])c1ccc(C#N)cc1F	ZINC001598031689	990251051	/nfs/dbraw/zinc/25/10/51/990251051.db2.gz	RGIGDECIRZMRKF-UHFFFAOYSA-N	-1	0	266.228	0.761	20	30		CCEDRM
CC(C)(CC#N)CNC(=O)N1C[C@H](O)C[C@H](C(=O)[O-])C1	ZINC001590615217	990288572	/nfs/dbraw/zinc/28/85/72/990288572.db2.gz	OJRNLGSWPXBTED-VHSXEESVSA-N	-1	0	283.328	0.403	20	30		CCEDRM
CC(C)(CC#N)CS(=O)(=O)N1C[C@H]2[C@H](C(=O)[O-])[C@H]2C1	ZINC001590616459	990291767	/nfs/dbraw/zinc/29/17/67/990291767.db2.gz	ARBVTVLCCLHOIZ-MYJAWHEDSA-N	-1	0	286.353	0.518	20	30		CCEDRM
CC(C)[C@@](C)(C#N)NC(=O)[C@H]1C[C@@H](C)[C@H](C(=O)[O-])O1	ZINC001590961160	991057015	/nfs/dbraw/zinc/05/70/15/991057015.db2.gz	MSMZRONEUHTGJS-VWMGYNLJSA-N	-1	0	268.313	0.919	20	30		CCEDRM
CN(CC#N)C[C@@H](O)COc1ccc(C(=O)[O-])cc1	ZINC001598375963	991562758	/nfs/dbraw/zinc/56/27/58/991562758.db2.gz	JPCJYKWJLFMWQM-LLVKDONJSA-N	-1	0	264.281	0.580	20	30		CCEDRM
CN(CC(=O)N1CCC(C(=O)[O-])CC1)[C@@H]1CCC[C@@H]1C#N	ZINC001598378890	991570965	/nfs/dbraw/zinc/57/09/65/991570965.db2.gz	GPHCTEAXUPPGIA-CHWSQXEVSA-N	-1	0	293.367	0.934	20	30		CCEDRM
CC(C)C[C@H](C#N)NC(=O)Cn1ccc(C(=O)[O-])n1	ZINC001591117737	991778332	/nfs/dbraw/zinc/77/83/32/991778332.db2.gz	FHBFYATXIBSCJW-SECBINFHSA-N	-1	0	264.285	0.636	20	30		CCEDRM
CN1CC[C@@](C)(C(=O)N2CCC(C#N)(C(=O)[O-])CC2)C1=O	ZINC001598579939	993326818	/nfs/dbraw/zinc/32/68/18/993326818.db2.gz	ZQZYPLAIHCRJGA-CYBMUJFWSA-N	-1	0	293.323	0.072	20	30		CCEDRM
CN1C[C@@H](Nc2ccc(C(=O)[O-])nc2C#N)CC1=O	ZINC001598628768	994142210	/nfs/dbraw/zinc/14/22/10/994142210.db2.gz	VMBUOEXPPLLJAZ-ZETCQYMHSA-N	-1	0	260.253	0.294	20	30		CCEDRM
COC(=O)[C@@H](CCC(=O)[O-])N1CCO[C@@](C)(C#N)C1	ZINC001598696816	995152987	/nfs/dbraw/zinc/15/29/87/995152987.db2.gz	BSVDVWDDNKUTMW-SKDRFNHKSA-N	-1	0	270.285	0.007	20	30		CCEDRM
C[C@@H](O)CN(C)N=Cc1cccn1[C@@H](C)C(=O)[O-]	ZINC001593456403	995357738	/nfs/dbraw/zinc/35/77/38/995357738.db2.gz	FUOTZUBRNPBLLI-ZJUUUORDSA-N	-1	0	253.302	0.780	20	30		CCEDRM
COC(=O)[C@H]1C[C@H](C(=O)[O-])CCN1C(=O)CCCC#N	ZINC001598751152	995654871	/nfs/dbraw/zinc/65/48/71/995654871.db2.gz	UYYVBHKKWVYJPE-NXEZZACHSA-N	-1	0	282.296	0.545	20	30		CCEDRM
COC(=O)[C@@H]1C[C@@H](C(=O)[O-])CCN1CCO[C@@H](C)C#N	ZINC001598762096	995787819	/nfs/dbraw/zinc/78/78/19/995787819.db2.gz	TYJLNLBMCBENQT-DCAQKATOSA-N	-1	0	284.312	0.253	20	30		CCEDRM
C[C@H](Oc1ccccc1C=NN1CC(=O)NC1=O)C(=O)[O-]	ZINC001593644878	995966983	/nfs/dbraw/zinc/96/69/83/995966983.db2.gz	NUHYUMVFRSNHQP-QMMMGPOBSA-N	-1	0	291.263	0.424	20	30		CCEDRM
COC(=O)[C@@H]1CN(C(=O)NCC(C)(C)C#N)C[C@H]1C(=O)[O-]	ZINC001598812228	996241818	/nfs/dbraw/zinc/24/18/18/996241818.db2.gz	ZPATUFMYAKSXFD-RKDXNWHRSA-N	-1	0	297.311	0.051	20	30		CCEDRM
C[C@@]1(C#N)CCN(S(=O)(=O)CC2(C(=O)[O-])CC2)C1	ZINC001593742511	996360554	/nfs/dbraw/zinc/36/05/54/996360554.db2.gz	AHGHBQUECRIQBS-JTQLQIEISA-N	-1	0	272.326	0.417	20	30		CCEDRM
COC(=O)CC[C@@H](C(=O)[O-])N1CC[C@](F)(C#N)C1	ZINC001598845410	996561124	/nfs/dbraw/zinc/56/11/24/996561124.db2.gz	BLENMVABTFSVOK-KWQFWETISA-N	-1	0	258.249	0.330	20	30		CCEDRM
CC1(C)C[C@]1(C#N)NC(=O)CN1CCC[C@H](C(=O)[O-])C1=O	ZINC001593864098	996665424	/nfs/dbraw/zinc/66/54/24/996665424.db2.gz	QTEDPJVICGUUEX-LKFCYVNXSA-N	-1	0	293.323	0.118	20	30		CCEDRM
COC(=O)[C@@H]1CN(c2ccc(C(=O)[O-])nc2C#N)C[C@H]1C	ZINC001598899160	997141345	/nfs/dbraw/zinc/14/13/45/997141345.db2.gz	BWGJSYKWKYUCPJ-RKDXNWHRSA-N	-1	0	289.291	0.897	20	30		CCEDRM
CON=CC(=O)N[C@H](C)c1ncc(C(=O)[O-])s1	ZINC001599320524	997573156	/nfs/dbraw/zinc/57/31/56/997573156.db2.gz	POUCDBLXFWVEJC-RXMQYKEDSA-N	-1	0	257.271	0.651	20	30		CCEDRM
COC(=O)c1cc(C(=O)[O-])nn1CN1CC[C@@](C)(C#N)C1	ZINC001598925103	997635352	/nfs/dbraw/zinc/63/53/52/997635352.db2.gz	OCNNHARFCXDVQT-ZDUSSCGKSA-N	-1	0	292.295	0.561	20	30		CCEDRM
CO[C@H]1C[C@@H](Cn2cc(C(=O)[O-])cc(C#N)c2=O)C1	ZINC001599326822	997679057	/nfs/dbraw/zinc/67/90/57/997679057.db2.gz	RYKGYAZECJDTFJ-DKTWLAJQSA-N	-1	0	262.265	0.843	20	30		CCEDRM
COCCCNC(=S)NN=Cc1ccoc1C(=O)[O-]	ZINC001599227091	997778835	/nfs/dbraw/zinc/77/88/35/997778835.db2.gz	NIZSPMADQREPFP-UHFFFAOYSA-N	-1	0	285.325	0.812	20	30		CCEDRM
COCCN(CC#N)CC(=O)NC1(C(=O)[O-])CCCCC1	ZINC001599231350	997862234	/nfs/dbraw/zinc/86/22/34/997862234.db2.gz	SFURQKUEXKKICZ-UHFFFAOYSA-N	-1	0	297.355	0.362	20	30		CCEDRM
CO[C@@H]1CN(C(=O)C#CC2CC2)[C@](C)(C(=O)[O-])C1	ZINC001599127963	997886590	/nfs/dbraw/zinc/88/65/90/997886590.db2.gz	OAVRGFZKFIFTKV-GWCFXTLKSA-N	-1	0	251.282	0.490	20	30		CCEDRM
CO[C@H]1CN(C(=O)C#CC2CC2)[C@](C)(C(=O)[O-])C1	ZINC001599127965	997886989	/nfs/dbraw/zinc/88/69/89/997886989.db2.gz	OAVRGFZKFIFTKV-MFKMUULPSA-N	-1	0	251.282	0.490	20	30		CCEDRM
COC[C@@H](C#N)OC(=O)c1csc(C(=O)[O-])n1	ZINC001599144137	998182859	/nfs/dbraw/zinc/18/28/59/998182859.db2.gz	WFGOESWUZRKPAH-RXMQYKEDSA-N	-1	0	256.239	0.537	20	30		CCEDRM
COc1ccc(CNC(=O)COCC(=O)[O-])cc1C#N	ZINC001599565665	998281619	/nfs/dbraw/zinc/28/16/19/998281619.db2.gz	ZFNKRLHNZJMAOF-UHFFFAOYSA-N	-1	0	278.264	0.284	20	30		CCEDRM
COC[C@@](C)(NC(=O)c1cccc(C#CCO)c1)C(=O)[O-]	ZINC001599153114	998322545	/nfs/dbraw/zinc/32/25/45/998322545.db2.gz	XFYHQUUFIPZGEB-OAHLLOKOSA-N	-1	0	291.303	0.250	20	30		CCEDRM
COC[C@@H](C)NN=C1CCCn2nc(C(=O)[O-])cc21	ZINC001599161490	998466527	/nfs/dbraw/zinc/46/65/27/998466527.db2.gz	XFATUJXAEYWBRA-MRVPVSSYSA-N	-1	0	266.301	0.704	20	30		CCEDRM
COC[C@H](NC(=O)c1ccc(C#N)s1)C(=O)[O-]	ZINC001599171967	998620348	/nfs/dbraw/zinc/62/03/48/998620348.db2.gz	RHZNGZVMDMHRFZ-ZETCQYMHSA-N	-1	0	254.267	0.449	20	30		CCEDRM
CSc1[n-]c(=O)c(C(=O)N[C@@H]2CCOC2)cc1C#N	ZINC000337619019	214183559	/nfs/dbraw/zinc/18/35/59/214183559.db2.gz	PRBBKQLDKITXIG-MRVPVSSYSA-N	-1	0	279.321	0.899	20	30		CCEDRM
C=CCS(=O)(=O)CCNC(=O)c1ccc(F)cc1[O-]	ZINC000273104224	192044234	/nfs/dbraw/zinc/04/42/34/192044234.db2.gz	QGSDJEQNUOBFMR-UHFFFAOYSA-N	-1	0	287.312	0.862	20	30		CCEDRM
CO[C@@H](C)c1nc(=NC(=O)c2cnn(C)c2C#N)s[n-]1	ZINC000338016229	214362181	/nfs/dbraw/zinc/36/21/81/214362181.db2.gz	NUTLIHWKQBRMDU-LURJTMIESA-N	-1	0	292.324	0.525	20	30		CCEDRM
N#Cc1ccc(S(=O)(=O)N[C@@H]2C=C[C@@H](C(=O)[O-])C2)cc1	ZINC000092181578	290647186	/nfs/dbraw/zinc/64/71/86/290647186.db2.gz	YZIPLHUTBMPGSJ-GHMZBOCLSA-N	-1	0	292.316	0.866	20	30		CCEDRM
N#Cc1c[n-]n2c1nc(CSCCC(N)=O)cc2=O	ZINC000600611981	362022642	/nfs/dbraw/zinc/02/26/42/362022642.db2.gz	VPKDGYSTHZOWSW-UHFFFAOYSA-N	-1	0	277.309	0.415	20	30		CCEDRM
N#CCCCS(=O)(=O)N1CC(F)(F)C[C@@H]1C(=O)[O-]	ZINC000600657686	362026824	/nfs/dbraw/zinc/02/68/24/362026824.db2.gz	IFFWDLDRYFGXKX-SSDOTTSWSA-N	-1	0	282.268	0.414	20	30		CCEDRM
N#CCCCS(=O)(=O)N1CC(F)(F)C[C@H]1C(=O)[O-]	ZINC000600656541	362027073	/nfs/dbraw/zinc/02/70/73/362027073.db2.gz	IFFWDLDRYFGXKX-ZETCQYMHSA-N	-1	0	282.268	0.414	20	30		CCEDRM
COc1ccc(Cn2[n-]nnc2=NCC2(C#N)CC2)cc1	ZINC000601159601	362162720	/nfs/dbraw/zinc/16/27/20/362162720.db2.gz	MPNKHGHRCLLUDO-UHFFFAOYSA-N	-1	0	284.323	0.868	20	30		CCEDRM
N#CCN1CCN(S(=O)(=O)c2cc([O-])cc(F)c2)CC1	ZINC000601331733	362228210	/nfs/dbraw/zinc/22/82/10/362228210.db2.gz	CQIHIYYROLJEJD-UHFFFAOYSA-N	-1	0	299.327	0.361	20	30		CCEDRM
CN([C@H]1CCC[C@@H]1C#N)S(=O)(=O)c1ncc[n-]1	ZINC000601510676	362296509	/nfs/dbraw/zinc/29/65/09/362296509.db2.gz	ZCJRFTXXMLZUJD-BDAKNGLRSA-N	-1	0	254.315	0.722	20	30		CCEDRM
CN=c1[n-]nc(CC(=O)N(C)[C@@H]2CCC[C@@H]2C#N)s1	ZINC000601823928	362402467	/nfs/dbraw/zinc/40/24/67/362402467.db2.gz	XXTYVCXYRVIMDA-RKDXNWHRSA-N	-1	0	279.369	0.695	20	30		CCEDRM
C[C@H]1C[C@H](C)CN(C(=O)Cn2cc(C#N)c(=O)[n-]c2=O)C1	ZINC000602026247	362462563	/nfs/dbraw/zinc/46/25/63/362462563.db2.gz	KNVPSASLELLLDS-UWVGGRQHSA-N	-1	0	290.323	0.325	20	30		CCEDRM
CC(C)CN(C)C(=O)CCn1cc(C#N)c(=O)[n-]c1=O	ZINC000602056522	362469480	/nfs/dbraw/zinc/46/94/80/362469480.db2.gz	SLFMSMUUQYBKQR-UHFFFAOYSA-N	-1	0	278.312	0.325	20	30		CCEDRM
CCC[C@@H](OCC)C(=O)N=c1[n-]n(C)cc1C#N	ZINC000602279042	362573677	/nfs/dbraw/zinc/57/36/77/362573677.db2.gz	BGIDZLNXBIOGRQ-SNVBAGLBSA-N	-1	0	250.302	0.857	20	30		CCEDRM
Cn1cc(C#N)c(=NC(=O)[C@@H]2C[C@H]2C2CCOCC2)[n-]1	ZINC000602283925	362574851	/nfs/dbraw/zinc/57/48/51/362574851.db2.gz	UKUPBHISKDSZIF-NWDGAFQWSA-N	-1	0	274.324	0.715	20	30		CCEDRM
Cc1cnc(C(=O)Nc2nc(C#N)c(C#N)[n-]2)cn1	ZINC000026273345	136750727	/nfs/dbraw/zinc/75/07/27/136750727.db2.gz	AORXUVAWBYHICN-UHFFFAOYSA-N	-1	0	253.225	0.504	20	30		CCEDRM
Cc1nc(C(=O)N[C@]2(CC(=O)[O-])CCOC2)ccc1C#N	ZINC000262866716	137054507	/nfs/dbraw/zinc/05/45/07/137054507.db2.gz	FTVZCSQCNKYKQH-AWEZNQCLSA-N	-1	0	289.291	0.625	20	30		CCEDRM
CN(CC(=O)[O-])S(=O)(=O)c1ccc(F)cc1C#N	ZINC000340176619	137084554	/nfs/dbraw/zinc/08/45/54/137084554.db2.gz	PCAXBWZRASOZKC-UHFFFAOYSA-N	-1	0	272.257	0.402	20	30		CCEDRM
CO[C@H]1CCN(C(=O)N=c2[n-]n(C)cc2C#N)CC1(C)C	ZINC000602881403	362860577	/nfs/dbraw/zinc/86/05/77/362860577.db2.gz	QBUWGLSQNQAFQE-NSHDSACASA-N	-1	0	291.355	0.992	20	30		CCEDRM
CS(=O)(=O)[N-]C(=O)c1ccc2c(c1)NC(=O)CO2	ZINC000042279172	348273145	/nfs/dbraw/zinc/27/31/45/348273145.db2.gz	WIVNZKZSRVEZQP-UHFFFAOYSA-N	-1	0	270.266	0.282	20	30		CCEDRM
CN(C)c1cc(C#N)cc(C(=O)NCc2n[n-]c(=N)o2)c1	ZINC000347333606	137331767	/nfs/dbraw/zinc/33/17/67/137331767.db2.gz	RKRWJBWDKPCINI-UHFFFAOYSA-N	-1	0	286.295	0.350	20	30		CCEDRM
C[C@@H](NC(=O)c1ccoc1)C(=O)Nc1nc(C#N)c(C#N)[n-]1	ZINC000052557372	348511716	/nfs/dbraw/zinc/51/17/16/348511716.db2.gz	CFWYBEIHKRRVQT-SSDOTTSWSA-N	-1	0	298.262	0.503	20	30		CCEDRM
Cc1nc(C(=O)N2CC[C@H](C(=O)[O-])C2)ccc1C#N	ZINC000062117809	348665324	/nfs/dbraw/zinc/66/53/24/348665324.db2.gz	RZJSHCDKTDXWBH-JTQLQIEISA-N	-1	0	259.265	0.808	20	30		CCEDRM
N#Cc1cccc(S(=O)(=O)N[C@]2(C(=O)[O-])CCOC2)c1	ZINC000085855182	349336566	/nfs/dbraw/zinc/33/65/66/349336566.db2.gz	DCQYYEXHMXYIJF-GFCCVEGCSA-N	-1	0	296.304	0.080	20	30		CCEDRM
COCC[N-]S(=O)(=O)c1c(F)cc(C#N)cc1F	ZINC000124134297	350090112	/nfs/dbraw/zinc/09/01/12/350090112.db2.gz	MECWGJYTRLMKSY-UHFFFAOYSA-N	-1	0	276.264	0.761	20	30		CCEDRM
COc1n[nH]c(NC(=O)c2ccc(C#N)c(C)n2)n1	ZINC000129436927	350213984	/nfs/dbraw/zinc/21/39/84/350213984.db2.gz	ZKHVYUOPFDLEDK-UHFFFAOYSA-N	-1	0	258.241	0.641	20	30		CCEDRM
C[C@]1(C(=O)[O-])CCN(S(=O)(=O)c2ccc(C#N)nc2)C1	ZINC000159702738	350686283	/nfs/dbraw/zinc/68/62/83/350686283.db2.gz	POVUQEZJYWKQRQ-LBPRGKRZSA-N	-1	0	295.320	0.439	20	30		CCEDRM
COc1ccc(CN=c2[n-]nc(CO)s2)cc1C#N	ZINC000540700588	290911992	/nfs/dbraw/zinc/91/19/92/290911992.db2.gz	ASWGDALEDRWVHD-UHFFFAOYSA-N	-1	0	276.321	0.945	20	30		CCEDRM
C=C(C)COCCNS(=O)(=O)c1ccc(C(=O)[O-])o1	ZINC000163479761	350767225	/nfs/dbraw/zinc/76/72/25/350767225.db2.gz	MHKRNWMIZKGXNZ-UHFFFAOYSA-N	-1	0	289.309	0.849	20	30		CCEDRM
C=CC[C@@H](CO)NC(=O)c1ccc([O-])c([N+](=O)[O-])c1	ZINC000185868312	351462806	/nfs/dbraw/zinc/46/28/06/351462806.db2.gz	MGPOWLCLZKEDMK-VIFPVBQESA-N	-1	0	266.253	0.967	20	30		CCEDRM
N#Cc1cc(NC(=O)CSc2n[nH]c(=O)[n-]2)ccc1F	ZINC000187071379	351527698	/nfs/dbraw/zinc/52/76/98/351527698.db2.gz	QZIOKQJNTSLXEU-UHFFFAOYSA-N	-1	0	293.283	0.840	20	30		CCEDRM
CCc1nnc(N2CC(C(=O)[O-])C2)c(C#N)c1CC	ZINC000123174247	187075845	/nfs/dbraw/zinc/07/58/45/187075845.db2.gz	DNPBWHFLDGBQQB-UHFFFAOYSA-N	-1	0	260.297	0.994	20	30		CCEDRM
CSc1nn(CC(=O)Nc2ccc(C#N)cc2)c(=O)[n-]1	ZINC000194573835	351874574	/nfs/dbraw/zinc/87/45/74/351874574.db2.gz	HQVPYLKHCSODLD-UHFFFAOYSA-N	-1	0	289.320	0.804	20	30		CCEDRM
C[C@@H](C#N)CN(C)S(=O)(=O)N1CCC[C@@H](C(=O)[O-])C1	ZINC000225591723	352009343	/nfs/dbraw/zinc/00/93/43/352009343.db2.gz	WBKUUZZAECUBEG-VHSXEESVSA-N	-1	0	289.357	0.119	20	30		CCEDRM
C=CCSCCNS(=O)(=O)N(C)CCC(=O)[O-]	ZINC000231937933	352138763	/nfs/dbraw/zinc/13/87/63/352138763.db2.gz	VGDBZGBTPFGBKU-UHFFFAOYSA-N	-1	0	282.387	0.147	20	30		CCEDRM
CC#CC[C@H](NS(=O)(=O)c1cccnc1)C(=O)[O-]	ZINC000274985939	353177534	/nfs/dbraw/zinc/17/75/34/353177534.db2.gz	KFVWUOXLALCORI-JTQLQIEISA-N	-1	0	268.294	0.227	20	30		CCEDRM
CC#CC[C@@H](NS(=O)(=O)c1cccnc1)C(=O)[O-]	ZINC000274985941	353177768	/nfs/dbraw/zinc/17/77/68/353177768.db2.gz	KFVWUOXLALCORI-SNVBAGLBSA-N	-1	0	268.294	0.227	20	30		CCEDRM
C=CC[C@@H](CO)NC(=O)[C@@H]([N-]C(=O)C(F)(F)F)C(C)C	ZINC000279622504	353305968	/nfs/dbraw/zinc/30/59/68/353305968.db2.gz	BARNUFYRGDVJPZ-IUCAKERBSA-N	-1	0	296.289	0.743	20	30		CCEDRM
C[C@H](CCC(=O)[O-])NS(=O)(=O)c1ccc(C#N)o1	ZINC000287241014	353633912	/nfs/dbraw/zinc/63/39/12/353633912.db2.gz	ORCSVYWIZBSDIP-SSDOTTSWSA-N	-1	0	272.282	0.683	20	30		CCEDRM
COCCOCCNS(=O)(=O)c1ccc(C#N)o1	ZINC000286779392	353609266	/nfs/dbraw/zinc/60/92/66/353609266.db2.gz	WYQDZSUZDZXERG-UHFFFAOYSA-N	-1	0	274.298	0.093	20	30		CCEDRM
CSC1(CNC(=O)N=c2[n-]n(C)cc2C#N)CC1	ZINC000618994184	366140293	/nfs/dbraw/zinc/14/02/93/366140293.db2.gz	DMEXJFIZJITOHP-UHFFFAOYSA-N	-1	0	265.342	0.731	20	30		CCEDRM
Cn1cc(C#N)c(=NC(=O)N2CCO[C@@H](C(C)(C)C)C2)[n-]1	ZINC000619203986	366216816	/nfs/dbraw/zinc/21/68/16/366216816.db2.gz	NILHZLYRBFNTDS-LLVKDONJSA-N	-1	0	291.355	0.992	20	30		CCEDRM
N#Cc1cc(S(=O)(=O)NCCC(=O)[O-])ccc1Cl	ZINC000340232348	355533807	/nfs/dbraw/zinc/53/38/07/355533807.db2.gz	SHTJKJVCFPZIGR-UHFFFAOYSA-N	-1	0	288.712	0.965	20	30		CCEDRM
CN(CC(=O)[O-])S(=O)(=O)c1c(F)cc(C#N)cc1F	ZINC000340177065	355516462	/nfs/dbraw/zinc/51/64/62/355516462.db2.gz	VTGFFCRDFKIXFM-UHFFFAOYSA-N	-1	0	290.247	0.542	20	30		CCEDRM
N#Cc1nc(NC(=O)[C@@H]2CCC[C@H](C(N)=O)C2)[n-]c1C#N	ZINC000348728452	355965738	/nfs/dbraw/zinc/96/57/38/355965738.db2.gz	LAVCFPXQVAMUER-JGVFFNPUSA-N	-1	0	286.295	0.383	20	30		CCEDRM
N#Cc1ccc(NCC(=O)NCc2n[n-]c(=N)o2)cc1	ZINC000354837265	356510404	/nfs/dbraw/zinc/51/04/04/356510404.db2.gz	CKDZYZCRKUPBRB-UHFFFAOYSA-N	-1	0	272.268	0.082	20	30		CCEDRM
COc1ccc(S(=O)(=O)[N-]c2ncc(C#N)s2)cn1	ZINC000619670567	366316597	/nfs/dbraw/zinc/31/65/97/366316597.db2.gz	NMEQCRXLEACWAC-UHFFFAOYSA-N	-1	0	296.333	0.641	20	30		CCEDRM
Cc1[n-][nH]c(=NC(=O)[C@@H]2OC[C@H]3COCC[C@H]32)c1C#N	ZINC000356165116	356714693	/nfs/dbraw/zinc/71/46/93/356714693.db2.gz	MMVSXSDXFDULSC-FXPVBKGRSA-N	-1	0	276.296	0.002	20	30		CCEDRM
Cc1csc(CNC(=O)N=c2[n-]n(C)cc2C#N)n1	ZINC000610527969	363572638	/nfs/dbraw/zinc/57/26/38/363572638.db2.gz	CJYHGABTASRUQE-UHFFFAOYSA-N	-1	0	276.325	0.800	20	30		CCEDRM
COCCCCNC(=O)N=c1[n-]n(C)cc1C#N	ZINC000610527725	363573064	/nfs/dbraw/zinc/57/30/64/363573064.db2.gz	ANTKFPORCDZWQK-UHFFFAOYSA-N	-1	0	251.290	0.262	20	30		CCEDRM
Cc1[n-][nH]c(=NC(=O)[C@@H]2C[C@H]2c2cnn(C)c2)c1C#N	ZINC000377219061	357554020	/nfs/dbraw/zinc/55/40/20/357554020.db2.gz	ZWWSQHRHBZIVFS-VHSXEESVSA-N	-1	0	270.296	0.487	20	30		CCEDRM
CC[C@H]1C[C@@H](C(=O)N=c2[n-]n(C)cc2C#N)CCO1	ZINC000408154031	357943058	/nfs/dbraw/zinc/94/30/58/357943058.db2.gz	HRHGETFLRULSLK-ONGXEEELSA-N	-1	0	262.313	0.857	20	30		CCEDRM
Cc1nc(=NC(=O)NCCc2cccc(C#N)c2)[n-]n1C	ZINC000455545604	236343833	/nfs/dbraw/zinc/34/38/33/236343833.db2.gz	NHFGLBRKQVDWHO-UHFFFAOYSA-N	-1	0	284.323	0.781	20	30		CCEDRM
C=CCOC[C@@H](NC(=O)NCc1ccnc(C)n1)C(=O)[O-]	ZINC000684726956	545729239	/nfs/dbraw/zinc/72/92/39/545729239.db2.gz	TUMNYLSSWRCCGN-LLVKDONJSA-N	-1	0	294.311	0.240	20	30		CCEDRM
Cn1cc(C#N)c(=NC(=O)N2C[C@@H]3CCC[C@@H]3C2)[n-]1	ZINC000610698534	363600786	/nfs/dbraw/zinc/60/07/86/363600786.db2.gz	REPUDNIVGIGLHC-AOOOYVTPSA-N	-1	0	259.313	0.977	20	30		CCEDRM
C=C(C)COCCNC(=O)N(C)[C@@H](COCC)C(=O)[O-]	ZINC000684739598	545731798	/nfs/dbraw/zinc/73/17/98/545731798.db2.gz	FELNZBGPQYHKRY-NSHDSACASA-N	-1	0	288.344	0.710	20	30		CCEDRM
CCOC[C@@H](NS(=O)(=O)CC1(CC#N)CC1)C(=O)[O-]	ZINC000580332821	359081940	/nfs/dbraw/zinc/08/19/40/359081940.db2.gz	FHSATMHCANQFGU-SECBINFHSA-N	-1	0	290.341	0.089	20	30		CCEDRM
C=CCSCCNC(=O)C1(C(=O)[O-])CCOCC1	ZINC000584722755	359196208	/nfs/dbraw/zinc/19/62/08/359196208.db2.gz	KAEYPBMHQJYTBN-UHFFFAOYSA-N	-1	0	273.354	0.903	20	30		CCEDRM
CCn1cc(CNC(=O)N=c2[n-]n(C)cc2C#N)cn1	ZINC000588259700	359319800	/nfs/dbraw/zinc/31/98/00/359319800.db2.gz	HTLZKOMHGDTCTM-UHFFFAOYSA-N	-1	0	273.300	0.252	20	30		CCEDRM
Cn1cc(C#N)c(=NC(=O)N[C@H](CO)C2CCCC2)[n-]1	ZINC000589332540	359378526	/nfs/dbraw/zinc/37/85/26/359378526.db2.gz	LCJVALXEQICFMP-LLVKDONJSA-N	-1	0	277.328	0.386	20	30		CCEDRM
CCO[C@@H]1C[C@@H]1C(=O)N=c1[nH][n-]c(C2CC2)c1C#N	ZINC000588767373	359336462	/nfs/dbraw/zinc/33/64/62/359336462.db2.gz	YRBUAGGBKLZKFD-WCBMZHEXSA-N	-1	0	260.297	0.944	20	30		CCEDRM
N#Cc1cc(C(=O)NCc2nnn[n-]2)cnc1C(F)(F)F	ZINC000590240024	359432903	/nfs/dbraw/zinc/43/29/03/359432903.db2.gz	NWFAOKJVIPSRET-UHFFFAOYSA-N	-1	0	297.200	0.415	20	30		CCEDRM
CCC[C@H](NC(=O)c1cccc(C#N)n1)c1nnn[n-]1	ZINC000589840145	359405051	/nfs/dbraw/zinc/40/50/51/359405051.db2.gz	SLUUCSLVSPKYQI-VIFPVBQESA-N	-1	0	271.284	0.738	20	30		CCEDRM
C=C[C@@H](C(=O)OC)N1CCC[C@H](c2n[n-]c(=O)o2)C1	ZINC000590737009	359512507	/nfs/dbraw/zinc/51/25/07/359512507.db2.gz	IEFGWMLYTQTOTP-IUCAKERBSA-N	-1	0	267.285	0.682	20	30		CCEDRM
CO[C@H](Cc1ccccc1)Cn1c(=O)[n-]cc(C#N)c1=O	ZINC000592354399	359823626	/nfs/dbraw/zinc/82/36/26/359823626.db2.gz	NRBPHSLSBXTOHW-CYBMUJFWSA-N	-1	0	285.303	0.666	20	30		CCEDRM
Cc1c(C#N)c(=NC(=O)c2ccnc(C)n2)[n-]n1C	ZINC000592645049	359908521	/nfs/dbraw/zinc/90/85/21/359908521.db2.gz	CKZJSDVAONYDMQ-UHFFFAOYSA-N	-1	0	256.269	0.373	20	30		CCEDRM
N#CC[C@]1(O)CCN(C(=O)c2cc([O-])cc([N+](=O)[O-])c2)C1	ZINC000592846041	359952525	/nfs/dbraw/zinc/95/25/25/359952525.db2.gz	OHCYKKUNFDKMJQ-ZDUSSCGKSA-N	-1	0	291.263	0.791	20	30		CCEDRM
C=CCn1cc(C(=O)N=c2[nH][n-]c(C3CC3)c2C#N)nn1	ZINC000592947023	359991473	/nfs/dbraw/zinc/99/14/73/359991473.db2.gz	NWGXVMOIWAUEQH-UHFFFAOYSA-N	-1	0	283.295	0.610	20	30		CCEDRM
N#Cc1ccc(CN2CCS(=O)(=O)C[C@H]2C(=O)[O-])cc1	ZINC000592990398	360009006	/nfs/dbraw/zinc/00/90/06/360009006.db2.gz	WEBPUUMRZBIVMP-LBPRGKRZSA-N	-1	0	294.332	0.242	20	30		CCEDRM
N#Cc1sccc1S(=O)(=O)N1C[C@H]2C[C@@]2(C(=O)[O-])C1	ZINC000593272001	360058796	/nfs/dbraw/zinc/05/87/96/360058796.db2.gz	WHLVJOKNXVFQTA-RDDDGLTNSA-N	-1	0	298.345	0.715	20	30		CCEDRM
C[C@H](CNS(=O)(=O)CC1(C#N)CCC1)C(=O)[O-]	ZINC000593943621	360221540	/nfs/dbraw/zinc/22/15/40/360221540.db2.gz	MZQRJCMGKGHXNX-MRVPVSSYSA-N	-1	0	260.315	0.320	20	30		CCEDRM
C[C@@H](NC(=O)N=c1[n-]n(C)cc1C#N)[C@@H]1CCCCO1	ZINC000611481072	363721135	/nfs/dbraw/zinc/72/11/35/363721135.db2.gz	VZXOUPMFXQWHCT-KOLCDFICSA-N	-1	0	277.328	0.793	20	30		CCEDRM
CC(C)[C@@H](CNC(=O)N1CC[C@@](F)(C#N)C1)C(=O)[O-]	ZINC000594538821	360327532	/nfs/dbraw/zinc/32/75/32/360327532.db2.gz	UZKFSUQPZNDWMB-BXKDBHETSA-N	-1	0	271.292	0.990	20	30		CCEDRM
N#Cc1cc(C(=O)N[C@@H](c2nnn[n-]2)c2ccccc2)c[nH]1	ZINC000611521867	363732382	/nfs/dbraw/zinc/73/23/82/363732382.db2.gz	KDXAWDKOMPGEAB-GFCCVEGCSA-N	-1	0	293.290	0.919	20	30		CCEDRM
N#Cc1cnccc1N1C[C@@H]2COC[C@]2(C(=O)[O-])C1	ZINC000595967542	360741648	/nfs/dbraw/zinc/74/16/48/360741648.db2.gz	IYOOGLWSQVPZLC-ZWNOBZJWSA-N	-1	0	259.265	0.491	20	30		CCEDRM
Cc1cc(=NC(=O)NCCCCC(=O)[O-])[nH]n1CCC#N	ZINC000596064446	360785043	/nfs/dbraw/zinc/78/50/43/360785043.db2.gz	WEBOFHMSLJFMKM-UHFFFAOYSA-N	-1	0	293.327	0.904	20	30		CCEDRM
N#CC1(CS(=O)(=O)NCC2(C(=O)[O-])CCC2)CCC1	ZINC000596026249	360778528	/nfs/dbraw/zinc/77/85/28/360778528.db2.gz	GKXVQEFXBFKQDW-UHFFFAOYSA-N	-1	0	286.353	0.855	20	30		CCEDRM
N#CC1(CC(=O)NCc2n[n-]c(=N)o2)CCCCC1	ZINC000597530943	361129044	/nfs/dbraw/zinc/12/90/44/361129044.db2.gz	DYBWJUZHSHAZFQ-UHFFFAOYSA-N	-1	0	263.301	0.963	20	30		CCEDRM
C[C@H](CC#N)C(=O)N1CCC[C@H](c2n[nH]c(=O)[n-]2)C1	ZINC000597624449	361167179	/nfs/dbraw/zinc/16/71/79/361167179.db2.gz	AADZOFDNJFZQSB-BDAKNGLRSA-N	-1	0	263.301	0.766	20	30		CCEDRM
N#CC1(CNC(=O)c2n[nH]c(=O)[n-]c2=O)CCCCC1	ZINC000598312330	361387532	/nfs/dbraw/zinc/38/75/32/361387532.db2.gz	ZWKVFOFOHIRFRD-UHFFFAOYSA-N	-1	0	277.284	0.487	20	30		CCEDRM
C=CCn1cc(C(=O)N(CC(=O)[O-])C2CCCC2)nn1	ZINC000621576162	366798348	/nfs/dbraw/zinc/79/83/48/366798348.db2.gz	AIBWXFWHSHFOLS-UHFFFAOYSA-N	-1	0	278.312	0.934	20	30		CCEDRM
C[C@@H](CC#N)NC(=O)c1ccc([N-]S(C)(=O)=O)nc1	ZINC000599221025	361614647	/nfs/dbraw/zinc/61/46/47/361614647.db2.gz	JYHMBSDEOCABHS-QMMMGPOBSA-N	-1	0	282.325	0.485	20	30		CCEDRM
CN(CC1(O)CCC1)C(=O)N=c1[n-]n(C)cc1C#N	ZINC000612752055	364008020	/nfs/dbraw/zinc/00/80/20/364008020.db2.gz	RNSJXQDGKLCCQD-UHFFFAOYSA-N	-1	0	263.301	0.092	20	30		CCEDRM
Cn1nncc1S(=O)(=O)[N-]c1ccc(F)c(C#N)c1	ZINC000616175478	365202197	/nfs/dbraw/zinc/20/21/97/365202197.db2.gz	BZFFVFBKPRWVNY-UHFFFAOYSA-N	-1	0	281.272	0.627	20	30		CCEDRM
C=CCC[C@H](CO)NC(=O)c1c[n-]n2c1nccc2=O	ZINC000622095813	367022510	/nfs/dbraw/zinc/02/25/10/367022510.db2.gz	YLJYFGZDCFFQNS-SECBINFHSA-N	-1	0	276.296	0.080	20	30		CCEDRM
C=CCOC[C@@H](NC(=O)c1ccc(OC)o1)C(=O)[O-]	ZINC000656244153	412773130	/nfs/dbraw/zinc/77/31/30/412773130.db2.gz	NWIPMRXKKZVCOC-MRVPVSSYSA-N	-1	0	269.253	0.674	20	30		CCEDRM
C=CC[C@H]1CCN(C(=O)C(=O)N=c2ncn(C(C)C)[n-]2)C1	ZINC000627733225	369086388	/nfs/dbraw/zinc/08/63/88/369086388.db2.gz	OMOSWTOWFLOSAU-NSHDSACASA-N	-1	0	291.355	0.644	20	30		CCEDRM
C=CCn1c(=N)[n-]nc1SCc1cncc(OC)n1	ZINC000629127696	369527888	/nfs/dbraw/zinc/52/78/88/369527888.db2.gz	ZBMCQNSZQBFRFK-UHFFFAOYSA-N	-1	0	278.341	0.968	20	30		CCEDRM
C=CCN(CC=C)C(=O)C(=O)N1CC[C@@H](C(=O)[O-])[C@@H](C)C1	ZINC000629770940	369771858	/nfs/dbraw/zinc/77/18/58/369771858.db2.gz	CCJHQGRODQZBGO-NWDGAFQWSA-N	-1	0	294.351	0.756	20	30		CCEDRM
C=CCOC[C@H](NC(=O)c1cnc2n1CCCC2)C(=O)[O-]	ZINC000630187347	369997300	/nfs/dbraw/zinc/99/73/00/369997300.db2.gz	NPSSGTLIQFPCDR-JTQLQIEISA-N	-1	0	293.323	0.605	20	30		CCEDRM
C=CCOC[C@@H](NC(=O)c1ocnc1C(F)F)C(=O)[O-]	ZINC000630187560	369997386	/nfs/dbraw/zinc/99/73/86/369997386.db2.gz	QOPPIIYDSPEOGO-ZCFIWIBFSA-N	-1	0	290.222	0.998	20	30		CCEDRM
C=C(C)COCCNC(=O)c1cc(C(=O)[O-])nn1C	ZINC000630166295	369982983	/nfs/dbraw/zinc/98/29/83/369982983.db2.gz	CXZGCEBOXMBXOB-UHFFFAOYSA-N	-1	0	267.285	0.441	20	30		CCEDRM
C=CCOCCCC(=O)NC[C@@]1(C(=O)[O-])CCCOC1	ZINC000630340747	370051743	/nfs/dbraw/zinc/05/17/43/370051743.db2.gz	NLSXLISJZMOZSP-AWEZNQCLSA-N	-1	0	285.340	0.967	20	30		CCEDRM
C=C(C)C[C@H](NS(=O)(=O)[C@H]1CCOC1)C(=O)[O-]	ZINC000630438382	370117086	/nfs/dbraw/zinc/11/70/86/370117086.db2.gz	PBCPOPMWNCLRCP-IUCAKERBSA-N	-1	0	263.315	0.114	20	30		CCEDRM
C=C(C)C[C@H](NC(=O)NC[C@H]1CCCO1)C(=O)[O-]	ZINC000630470153	370128756	/nfs/dbraw/zinc/12/87/56/370128756.db2.gz	SUYIWTRORRMLET-ZJUUUORDSA-N	-1	0	256.302	0.884	20	30		CCEDRM
C=C[C@@H]1OCC[C@H]1NC(=O)[C@@H]1CCC[C@H]1C(=O)[O-]	ZINC000634840632	372267190	/nfs/dbraw/zinc/26/71/90/372267190.db2.gz	QNARPAWHFRWORD-DBIOUOCHSA-N	-1	0	253.298	0.947	20	30		CCEDRM
C=CCn1cc(CNC(=O)C(C)(C)CCC(=O)[O-])nn1	ZINC000634843789	372268413	/nfs/dbraw/zinc/26/84/13/372268413.db2.gz	VWJNHHPAVHNHBK-UHFFFAOYSA-N	-1	0	280.328	0.971	20	30		CCEDRM
C=CCn1cc(CNC(=O)[C@@H]2[C@H](C(=O)[O-])C2(C)C)nn1	ZINC000634843745	372268645	/nfs/dbraw/zinc/26/86/45/372268645.db2.gz	USDGEYGWZGYJHU-VHSXEESVSA-N	-1	0	278.312	0.437	20	30		CCEDRM
C=CCC[C@H](NS(=O)(=O)[C@H](C)CCOC)C(=O)[O-]	ZINC000576642454	335229781	/nfs/dbraw/zinc/22/97/81/335229781.db2.gz	FWCZEOOIHWINQW-ZJUUUORDSA-N	-1	0	279.358	0.750	20	30		CCEDRM
C=CCCS(=O)(=O)NCc1ccoc1C(=O)[O-]	ZINC000656724891	412847471	/nfs/dbraw/zinc/84/74/71/412847471.db2.gz	KKPGUZQYXNYSPL-UHFFFAOYSA-N	-1	0	259.283	0.973	20	30		CCEDRM
C=CCCO[C@H](C)C(=O)N(C)Cc1nc(=O)o[n-]1	ZINC000640453311	376370471	/nfs/dbraw/zinc/37/04/71/376370471.db2.gz	YIAFJCDCLMSMAL-MRVPVSSYSA-N	-1	0	255.274	0.303	20	30		CCEDRM
COc1ccnc([N-]S(=O)(=O)c2ccc(C#N)nc2)c1	ZINC000089641860	284624409	/nfs/dbraw/zinc/62/44/09/284624409.db2.gz	OPGUOPADIFLORX-UHFFFAOYSA-N	-1	0	290.304	0.580	20	30		CCEDRM
C[C@H](C(=O)[O-])C1CN(S(=O)(=O)c2ccc(C#N)nc2)C1	ZINC000228699011	284949092	/nfs/dbraw/zinc/94/90/92/284949092.db2.gz	WKBYTOHTJGJCDP-QMMMGPOBSA-N	-1	0	295.320	0.294	20	30		CCEDRM
Cc1oc(C#N)cc1C(=O)N(C)C[C@H](C)c1nnn[n-]1	ZINC000280977406	195055223	/nfs/dbraw/zinc/05/52/23/195055223.db2.gz	CQZYZBMRSWZICN-ZETCQYMHSA-N	-1	0	274.284	0.849	20	30		CCEDRM
N#Cc1ccc(S(=O)(=O)N2C[C@H]3C[C@@]3(C(=O)[O-])C2)cc1	ZINC000572175038	291862290	/nfs/dbraw/zinc/86/22/90/291862290.db2.gz	UGHUWUVBPDBFEI-ZWNOBZJWSA-N	-1	0	292.316	0.653	20	30		CCEDRM
CSc1nc(=NC(=O)N2CCn3ncnc3C2)s[n-]1	ZINC000329948859	533089565	/nfs/dbraw/zinc/08/95/65/533089565.db2.gz	ZKXHUBNXNRHWAD-UHFFFAOYSA-N	-1	0	297.369	0.913	20	30		CCEDRM
C=C(C)[C@H]1OCC[C@H]1C(=O)[N-]OCCCC(=O)OC	ZINC000290521694	388906181	/nfs/dbraw/zinc/90/61/81/388906181.db2.gz	GFDQBMQEZUDXOR-ZYHUDNBSSA-N	-1	0	271.313	0.969	20	30		CCEDRM
C=C[C@@H](CO)NC(=O)[C@@H]([N-]C(=O)C(F)(F)F)C(C)C	ZINC000290605865	388908551	/nfs/dbraw/zinc/90/85/51/388908551.db2.gz	NNBCDKNZEQQWAV-YUMQZZPRSA-N	-1	0	282.262	0.353	20	30		CCEDRM
Cc1cc(C#N)nc(N2CCC[C@@H](c3n[n-]c(=O)o3)C2)n1	ZINC000291012704	388916239	/nfs/dbraw/zinc/91/62/39/388916239.db2.gz	WLCIDQAFXMMHTI-SECBINFHSA-N	-1	0	286.295	0.717	20	30		CCEDRM
C#CCO[N-]C(=O)CN1CCc2ccccc2C1=O	ZINC000291373782	388922073	/nfs/dbraw/zinc/92/20/73/388922073.db2.gz	ZPLLNVYUCCZHJR-UHFFFAOYSA-N	-1	0	258.277	0.366	20	30		CCEDRM
N#Cc1ccc(C(=O)Nc2ccn(CCC(N)=O)n2)cc1[O-]	ZINC000188521388	388931684	/nfs/dbraw/zinc/93/16/84/388931684.db2.gz	IMHMZTVFBUBQEZ-UHFFFAOYSA-N	-1	0	299.290	0.588	20	30		CCEDRM
C=CCN1C(=O)C(=O)N(CC(=O)[N-]OC[C@@H](C)CC)C1=O	ZINC000293860520	388988309	/nfs/dbraw/zinc/98/83/09/388988309.db2.gz	XRGXPKSCTYXAKM-VIFPVBQESA-N	-1	0	297.311	0.057	20	30		CCEDRM
C=CC[C@H](CO)NC(=O)c1ccc(-c2nc(=O)o[n-]2)cc1	ZINC000337047541	389038745	/nfs/dbraw/zinc/03/87/45/389038745.db2.gz	HBSCZTVCCKDBCK-LLVKDONJSA-N	-1	0	289.291	0.697	20	30		CCEDRM
N#Cc1cnc(C(=O)NC2(c3nnn[n-]3)CC2)c(Cl)c1	ZINC000357080927	389130778	/nfs/dbraw/zinc/13/07/78/389130778.db2.gz	TZGKVYSUCAVJNV-UHFFFAOYSA-N	-1	0	289.686	0.539	20	30		CCEDRM
O=C(NC[C@@H]1CCC2(CCOCC2)[C@@H]1O)c1cn[nH]n1	ZINC000328713845	389133511	/nfs/dbraw/zinc/13/35/11/389133511.db2.gz	SDVMFYWPKNCXHW-GXSJLCMTSA-N	-1	0	280.328	0.677	20	30		CCEDRM
C=CCCC(=O)N[C@@H]1CCN([C@H](C(=O)[O-])C(C)C)C1=O	ZINC000358710521	389158448	/nfs/dbraw/zinc/15/84/48/389158448.db2.gz	HCOQOJMZVHSFJP-PWSUYJOCSA-N	-1	0	282.340	0.779	20	30		CCEDRM
N#Cc1cc(Cl)ccc1S(=O)(=O)NCC(=O)[O-]	ZINC000340456484	389160426	/nfs/dbraw/zinc/16/04/26/389160426.db2.gz	ZASDKXIRIVMWLG-UHFFFAOYSA-N	-1	0	274.685	0.575	20	30		CCEDRM
C=CCSCCNC(=O)Cn1cc(C(=O)[O-])nn1	ZINC000231965141	389161122	/nfs/dbraw/zinc/16/11/22/389161122.db2.gz	ISUTYWPMIIYZKF-UHFFFAOYSA-N	-1	0	270.314	0.012	20	30		CCEDRM
C#CCC[N-]S(=O)(=O)c1scnc1C(=O)OC	ZINC000134712927	389248239	/nfs/dbraw/zinc/24/82/39/389248239.db2.gz	SICDZQHIHAMXAJ-UHFFFAOYSA-N	-1	0	274.323	0.231	20	30		CCEDRM
CC(C)n1cc(C#N)c(=NC(=O)c2ccnn2C)[n-]1	ZINC000330939932	389257649	/nfs/dbraw/zinc/25/76/49/389257649.db2.gz	BJXHJTFDRICBNZ-UHFFFAOYSA-N	-1	0	258.285	0.743	20	30		CCEDRM
Cc1nnc(NCCc2nc(=N)[n-]o2)c(C#N)c1C	ZINC000342292789	389207608	/nfs/dbraw/zinc/20/76/08/389207608.db2.gz	KCHLPWIRQSKTBI-UHFFFAOYSA-N	-1	0	259.273	0.415	20	30		CCEDRM
N#Cc1cc(NCCc2nc(=N)[n-]o2)cc(N)c1[N+](=O)[O-]	ZINC000342298699	389208208	/nfs/dbraw/zinc/20/82/08/389208208.db2.gz	WCPWYBYOZWMAKY-UHFFFAOYSA-N	-1	0	289.255	0.499	20	30		CCEDRM
C=CCCCCNC(=O)C(=O)N=c1ccc(OC)n[n-]1	ZINC000342312171	389209396	/nfs/dbraw/zinc/20/93/96/389209396.db2.gz	WFJYSGMQCSGFLD-UHFFFAOYSA-N	-1	0	278.312	0.318	20	30		CCEDRM
COC[C@H](NC(=O)COc1ccc(C#N)cc1)C(=O)[O-]	ZINC000158348020	389340602	/nfs/dbraw/zinc/34/06/02/389340602.db2.gz	IHKXLZNISKIQPO-NSHDSACASA-N	-1	0	278.264	0.153	20	30		CCEDRM
COC[C@](C)(NC(=O)c1ccc(CC#N)cc1)C(=O)[O-]	ZINC000262168102	389282389	/nfs/dbraw/zinc/28/23/89/389282389.db2.gz	NOIWJCKIMLZBAR-AWEZNQCLSA-N	-1	0	276.292	0.972	20	30		CCEDRM
CSc1nc(=NC(=O)N[C@@H]2CCCNC2=O)s[n-]1	ZINC000331039182	389292378	/nfs/dbraw/zinc/29/23/78/389292378.db2.gz	CSGIGMUXKAGTDL-RXMQYKEDSA-N	-1	0	287.370	0.286	20	30		CCEDRM
CC#CC[C@H](NS(=O)(=O)c1ccc(C#N)nc1)C(=O)[O-]	ZINC000274916510	389507213	/nfs/dbraw/zinc/50/72/13/389507213.db2.gz	AARZBOQGCXZCSJ-NSHDSACASA-N	-1	0	293.304	0.098	20	30		CCEDRM
C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)CSc1n[nH]c(=O)[n-]1	ZINC000281260751	389611993	/nfs/dbraw/zinc/61/19/93/389611993.db2.gz	GJIUGVRGOGOJHV-SCZZXKLOSA-N	-1	0	298.368	0.288	20	30		CCEDRM
COc1ccc(C(=O)Cn2cnc(C#N)n2)c2occ([O-])c21	ZINC000351558688	389614408	/nfs/dbraw/zinc/61/44/08/389614408.db2.gz	MYNZQMGJETVDRD-UHFFFAOYSA-N	-1	0	298.258	0.616	20	30		CCEDRM
C=CCCn1cc(C(=O)N2C[C@H](OC)C[C@H]2C(=O)[O-])nn1	ZINC000425239761	389642882	/nfs/dbraw/zinc/64/28/82/389642882.db2.gz	KXFNNROWRZVYRG-KOLCDFICSA-N	-1	0	294.311	0.168	20	30		CCEDRM
C=CCn1cc(CNC(=O)N=c2[n-]nc(OC)s2)nn1	ZINC000425663162	389654733	/nfs/dbraw/zinc/65/47/33/389654733.db2.gz	LAZDBUSTKAUMSH-UHFFFAOYSA-N	-1	0	295.328	0.068	20	30		CCEDRM
C[C@@](O)(CNc1ccc(C(F)(F)F)c(C#N)n1)C(=O)[O-]	ZINC000416434597	389742741	/nfs/dbraw/zinc/74/27/41/389742741.db2.gz	VJQFOYSUHQVKPV-SNVBAGLBSA-N	-1	0	289.213	0.641	20	30		CCEDRM
CCN(C[C@@H](C)C#N)C(=O)Cc1n[n-]c(=NC)s1	ZINC000352433612	389810221	/nfs/dbraw/zinc/81/02/21/389810221.db2.gz	WUORMRWCIDUQTA-QMMMGPOBSA-N	-1	0	267.358	0.552	20	30		CCEDRM
Cc1[n-][nH]c(=NC(=O)[C@H](C)NC(=O)c2ccoc2)c1C#N	ZINC000431679632	389864225	/nfs/dbraw/zinc/86/42/25/389864225.db2.gz	CUBLJKWKSLYEOV-QMMMGPOBSA-N	-1	0	287.279	0.362	20	30		CCEDRM
Cc1[n-][nH]c(=NC(=O)c2ccc3c(c2)OCC(=O)N3)c1C#N	ZINC000431664996	389864360	/nfs/dbraw/zinc/86/43/60/389864360.db2.gz	CCKPDENWOPWASM-UHFFFAOYSA-N	-1	0	297.274	0.595	20	30		CCEDRM
CCC(=O)N1CC[C@H](C(=O)Nc2nc(C#N)c(C#N)[n-]2)C1	ZINC000448455844	389984680	/nfs/dbraw/zinc/98/46/80/389984680.db2.gz	FZEMKVNKUIYTAA-QMMMGPOBSA-N	-1	0	286.295	0.350	20	30		CCEDRM
C=C(CC)CNC(=O)C(=O)N1C[C@@H](C)[C@H](C(=O)[O-])C1	ZINC000420577420	390013796	/nfs/dbraw/zinc/01/37/96/390013796.db2.gz	FYGYFOMDFRJVKE-NXEZZACHSA-N	-1	0	268.313	0.248	20	30		CCEDRM
C[C@@H]1C[C@@]1(C#N)C(=O)N1CCC[C@@H](c2n[nH]c(=O)[n-]2)C1	ZINC000579235045	390154756	/nfs/dbraw/zinc/15/47/56/390154756.db2.gz	VSKNLCWLBNDREB-KKFJDGPESA-N	-1	0	275.312	0.766	20	30		CCEDRM
C=CCCOCC(=O)N[C@H](C(=O)[O-])c1ccnn1C	ZINC000647773687	390167634	/nfs/dbraw/zinc/16/76/34/390167634.db2.gz	DPXYQEHDMGZJSB-NSHDSACASA-N	-1	0	267.285	0.255	20	30		CCEDRM
C=C(C)CS(=O)(=O)N1C[C@@H](OC)C[C@@H]1CC(=O)[O-]	ZINC000580188081	390227093	/nfs/dbraw/zinc/22/70/93/390227093.db2.gz	MTJJQKJQQWHKBD-ZJUUUORDSA-N	-1	0	277.342	0.456	20	30		CCEDRM
C=CCn1cc(CNC(=O)[C@H]2CC=CC[C@H]2C(=O)[O-])nn1	ZINC000644538323	390248566	/nfs/dbraw/zinc/24/85/66/390248566.db2.gz	UIKXGHROTCZUPD-NWDGAFQWSA-N	-1	0	290.323	0.747	20	30		CCEDRM
C=CCCCS(=O)(=O)N(CCO)CCC(=O)[O-]	ZINC000644629306	390269954	/nfs/dbraw/zinc/26/99/54/390269954.db2.gz	VRLWSIYSADTCMJ-UHFFFAOYSA-N	-1	0	265.331	0.051	20	30		CCEDRM
C=CCC[C@@H](NC(=O)C(C)(C)NC(C)=O)C(=O)[O-]	ZINC000648344997	390359843	/nfs/dbraw/zinc/35/98/43/390359843.db2.gz	BAAJODIAVCQHPH-SECBINFHSA-N	-1	0	256.302	0.437	20	30		CCEDRM
N#Cc1ccc(S(=O)(=O)NCCCCO)c(F)c1	ZINC000554702894	390439404	/nfs/dbraw/zinc/43/94/04/390439404.db2.gz	JYOJZUMZNOXVLR-UHFFFAOYSA-N	-1	0	272.301	0.748	20	30		CCEDRM
C=CCN(CC(=O)[O-])S(=O)(=O)[C@H]1CCO[C@@H]1C	ZINC000518764958	390494192	/nfs/dbraw/zinc/49/41/92/390494192.db2.gz	DWFDRIFZXGTAGF-BDAKNGLRSA-N	-1	0	263.315	0.066	20	30		CCEDRM
CC[C@H](CCNS(=O)(=O)N(C)[C@H](C)CC#N)C(=O)[O-]	ZINC000516575179	390483381	/nfs/dbraw/zinc/48/33/81/390483381.db2.gz	YJNYVZZNAHUEGW-NXEZZACHSA-N	-1	0	291.373	0.556	20	30		CCEDRM
C=C(C)C[C@H](C)C(=O)N1Cc2nncn2C[C@H]1C(=O)[O-]	ZINC000643858373	390585255	/nfs/dbraw/zinc/58/52/55/390585255.db2.gz	ACTHCTITTNFPFM-UWVGGRQHSA-N	-1	0	278.312	0.676	20	30		CCEDRM
C=CCn1cc(C(=O)N[C@@H](C(=O)[O-])C(C)(C)C)nn1	ZINC000649244577	390535573	/nfs/dbraw/zinc/53/55/73/390535573.db2.gz	OACQUXYXDQLBCK-VIFPVBQESA-N	-1	0	266.301	0.693	20	30		CCEDRM
C=CCn1cc(C(=O)N2C[C@@H]3CCC[C@H]3[C@H]2C(=O)[O-])nn1	ZINC000649249940	390537375	/nfs/dbraw/zinc/53/73/75/390537375.db2.gz	WKMGNWZPGZSJLO-UMNHJUIQSA-N	-1	0	290.323	0.789	20	30		CCEDRM
C/C=C\C[C@H](NC(=O)C1(C#N)CCOCC1)C(=O)[O-]	ZINC000565754312	390542286	/nfs/dbraw/zinc/54/22/86/390542286.db2.gz	PGVJUEMUALVIKK-ZMWSMAPVSA-N	-1	0	266.297	0.842	20	30		CCEDRM
CCN([C@@H](C)CC(=O)[O-])S(=O)(=O)N(C)[C@H](C)CC#N	ZINC000566313714	390596787	/nfs/dbraw/zinc/59/67/87/390596787.db2.gz	MWCQRJDGOLHLQC-ZJUUUORDSA-N	-1	0	291.373	0.650	20	30		CCEDRM
C=CCn1cc(CNC(=O)C2(C(=O)[O-])CCCC2)nn1	ZINC000568395758	390714004	/nfs/dbraw/zinc/71/40/04/390714004.db2.gz	WSHRKBKMPZUXPX-UHFFFAOYSA-N	-1	0	278.312	0.725	20	30		CCEDRM
C=CCOC[C@H](NC(=O)NC[C@H]1CCCS1)C(=O)[O-]	ZINC000570780359	390719316	/nfs/dbraw/zinc/71/93/16/390719316.db2.gz	FAVYBEKTQZTQCI-ZJUUUORDSA-N	-1	0	288.369	0.837	20	30		CCEDRM
CNC(=O)C(C#N)=C([O-])c1cc(C)n(-c2cnccn2)c1C	ZINC000528925955	390783924	/nfs/dbraw/zinc/78/39/24/390783924.db2.gz	XRCPXSZDMZQDJW-LBPRGKRZSA-N	-1	0	297.318	0.953	20	30		CCEDRM
CC(C)(NC(=O)Cc1cccc(C#N)c1)c1nnn[n-]1	ZINC000531152486	390877923	/nfs/dbraw/zinc/87/79/23/390877923.db2.gz	FUUIHRRDLFDCRN-UHFFFAOYSA-N	-1	0	270.296	0.665	20	30		CCEDRM
C[C@H](C#N)CN(C)S(=O)(=O)N[C@@H](C)[C@H](C)C(=O)[O-]	ZINC000572965733	390814292	/nfs/dbraw/zinc/81/42/92/390814292.db2.gz	YZKJEMSVKDPGHE-VGMNWLOBSA-N	-1	0	277.346	0.021	20	30		CCEDRM
CC1(C#N)CN(CC2=Nc3ccccc3S(=O)(=O)[N-]2)C1	ZINC000575426983	390840597	/nfs/dbraw/zinc/84/05/97/390840597.db2.gz	GDZZTPOIXSLNDX-UHFFFAOYSA-N	-1	0	290.348	0.854	20	30		CCEDRM
C=C(C)CN(CC)C(=O)C(=O)N[C@@H]1CC[C@H](C(=O)[O-])C1	ZINC000647592824	390845169	/nfs/dbraw/zinc/84/51/69/390845169.db2.gz	RJUORUMVDKQPKC-WDEREUQCSA-N	-1	0	282.340	0.781	20	30		CCEDRM
N#Cc1c(C2CC2)[n-][nH]c1=NC(=O)c1cc2n(n1)CCCO2	ZINC000578690531	390898207	/nfs/dbraw/zinc/89/82/07/390898207.db2.gz	CJCCOVMCZDPSSR-UHFFFAOYSA-N	-1	0	298.306	0.812	20	30		CCEDRM
COc1ccc(=NC(=O)NCC2(CC#N)CC2)[n-]n1	ZINC000346645895	533254918	/nfs/dbraw/zinc/25/49/18/533254918.db2.gz	FOGLHXHUYBWYCL-UHFFFAOYSA-N	-1	0	261.285	0.722	20	30		CCEDRM
CSc1n[nH]c([N-]S(=O)(=O)c2cncc(C#N)c2)n1	ZINC000357369317	144085697	/nfs/dbraw/zinc/08/56/97/144085697.db2.gz	JWBYKBSOAZUJQI-UHFFFAOYSA-N	-1	0	296.337	0.594	20	30		CCEDRM
CC(C)n1cc(C#N)c(=NC(=O)C(=O)NC[C@@H]2C[C@@H]2C)[n-]1	ZINC000359064413	144192800	/nfs/dbraw/zinc/19/28/00/144192800.db2.gz	VHJFZKRGGPPVJU-UWVGGRQHSA-N	-1	0	289.339	0.468	20	30		CCEDRM
N#Cc1ccc(S(=O)(=O)N2CC[C@@H](CC(=O)[O-])C2)o1	ZINC000548768342	286066675	/nfs/dbraw/zinc/06/66/75/286066675.db2.gz	NHSNHBQTKFSEJJ-QMMMGPOBSA-N	-1	0	284.293	0.637	20	30		CCEDRM
C=CCOC[C@@H](NC(=O)Cn1cc(C2CC2)cn1)C(=O)[O-]	ZINC000659156862	413319399	/nfs/dbraw/zinc/31/93/99/413319399.db2.gz	PADXSNOKXVTUQM-GFCCVEGCSA-N	-1	0	293.323	0.533	20	30		CCEDRM
C=CCOC[C@H](NC(=O)[C@@H]1CC[C@@H](OC)C1)C(=O)[O-]	ZINC000659155615	413318839	/nfs/dbraw/zinc/31/88/39/413318839.db2.gz	FEJHPQWXKZGIKM-MXWKQRLJSA-N	-1	0	271.313	0.574	20	30		CCEDRM
COCCN(CC(=O)[O-])C(=O)c1cccc(C#N)c1	ZINC000049606187	411675197	/nfs/dbraw/zinc/67/51/97/411675197.db2.gz	QWKFCXVOQONSIQ-UHFFFAOYSA-N	-1	0	262.265	0.731	20	30		CCEDRM
N#Cc1ccccc1CS(=O)(=O)N1CCC[C@@H]1C(=O)[O-]	ZINC000021012952	171288512	/nfs/dbraw/zinc/28/85/12/171288512.db2.gz	QBTHZWBRRZYFSQ-GFCCVEGCSA-N	-1	0	294.332	0.937	20	30		CCEDRM
N#Cc1cccc(S(=O)(=O)N(CC(=O)[O-])C2CC2)c1	ZINC000037592455	173540916	/nfs/dbraw/zinc/54/09/16/173540916.db2.gz	MZRHLFFXZQQWEU-UHFFFAOYSA-N	-1	0	280.305	0.796	20	30		CCEDRM
Cc1n[n-]c(=NC(=O)NCCC2CC(O)C2)s1	ZINC000330253360	228081256	/nfs/dbraw/zinc/08/12/56/228081256.db2.gz	ANFNPHGXMCJPPP-UHFFFAOYSA-N	-1	0	256.331	0.755	20	30		CCEDRM
C=CCOCCNC(=O)NCC1(C(=O)[O-])CCC1	ZINC000310649743	545010913	/nfs/dbraw/zinc/01/09/13/545010913.db2.gz	GEHLRUSIQFYFAC-UHFFFAOYSA-N	-1	0	256.302	0.743	20	30		CCEDRM
C=C(C)COCCNC(=O)[C@@H]1CC[C@H](C(=O)[O-])O1	ZINC000222835241	260338318	/nfs/dbraw/zinc/33/83/18/260338318.db2.gz	RPZZXIFJFJMXBO-VHSXEESVSA-N	-1	0	257.286	0.328	20	30		CCEDRM
C=CCOC[C@H](NC(=O)NC[C@H]1C[C@@H]1C)C(=O)[O-]	ZINC000518469276	260433799	/nfs/dbraw/zinc/43/37/99/260433799.db2.gz	BHVYRTDCOQYRNM-AEJSXWLSSA-N	-1	0	256.302	0.597	20	30		CCEDRM
CC(C)(C)[C@H](C#N)NC(=O)c1c[n-]n2c1nccc2=O	ZINC000427357715	260593761	/nfs/dbraw/zinc/59/37/61/260593761.db2.gz	DBJLCQZMBDVNOK-VIFPVBQESA-N	-1	0	273.296	0.691	20	30		CCEDRM
O=C([N-]S(=O)(=O)c1ccccc1)[C@H]1COCCO1	ZINC000048407199	260654655	/nfs/dbraw/zinc/65/46/55/260654655.db2.gz	OXIXTUAXJCQCRZ-SNVBAGLBSA-N	-1	0	271.294	0.747	20	30		CCEDRM
CCn1cc(S(=O)(=O)[N-]c2ccn(CCC#N)n2)cn1	ZINC000117740771	260687026	/nfs/dbraw/zinc/68/70/26/260687026.db2.gz	AQEUOXUVZGRAIS-UHFFFAOYSA-N	-1	0	294.340	0.814	20	30		CCEDRM
C#CCN(CC#CC)C(=O)c1cccc(C(=O)[O-])n1	ZINC000490821319	261215160	/nfs/dbraw/zinc/21/51/60/261215160.db2.gz	UOXLHDBAYCDKAV-UHFFFAOYSA-N	-1	0	256.261	0.879	20	30		CCEDRM
C#C[C@@H](CCC)NC(=O)Cc1n[n-]c(=NC)s1	ZINC000491764299	262014781	/nfs/dbraw/zinc/01/47/81/262014781.db2.gz	CLJJFRPODQOTFP-QMMMGPOBSA-N	-1	0	252.343	0.462	20	30		CCEDRM
C#C[C@@H]1COCCN1C(=O)c1s[n-]c(=O)c1Cl	ZINC000491775122	262034005	/nfs/dbraw/zinc/03/40/05/262034005.db2.gz	DKQAMNAZXAIAOG-ZCFIWIBFSA-N	-1	0	272.713	0.976	20	30		CCEDRM
C=CC[C@@H](CO)NC(=O)c1cc([O-])ccc1[N+](=O)[O-]	ZINC000354782242	262285880	/nfs/dbraw/zinc/28/58/80/262285880.db2.gz	DNIMDHVYLJGEIK-QMMMGPOBSA-N	-1	0	266.253	0.967	20	30		CCEDRM
C[C@@H](CC#N)NC(=O)C(C)(C)[N-]C(=O)C(F)(F)F	ZINC000277505081	263041445	/nfs/dbraw/zinc/04/14/45/263041445.db2.gz	MZVYQGNNJNLIDZ-LURJTMIESA-N	-1	0	265.235	0.862	20	30		CCEDRM
C=CCCOCCNC(=O)C(=O)[N-]OCCSC	ZINC000289333347	263109268	/nfs/dbraw/zinc/10/92/68/263109268.db2.gz	DAJYGWISYJNDCF-UHFFFAOYSA-N	-1	0	276.358	0.106	20	30		CCEDRM
C#CCO[N-]C(=O)c1cc(Br)c(C)n(C)c1=O	ZINC000291184107	263120663	/nfs/dbraw/zinc/12/06/63/263120663.db2.gz	FWPOFGCSDJPRTD-UHFFFAOYSA-N	-1	0	299.124	0.751	20	30		CCEDRM
C#CCO[N-]C(=O)[C@H]1C[C@H](c2ccccc2)OC1=O	ZINC000291334921	264822379	/nfs/dbraw/zinc/82/23/79/264822379.db2.gz	VCTSNNCQUPHOKX-VXGBXAGGSA-N	-1	0	259.261	0.972	20	30		CCEDRM
C=CCCC1(C(=O)NCCc2nc(=O)o[n-]2)CC1	ZINC000357153349	266255691	/nfs/dbraw/zinc/25/56/91/266255691.db2.gz	NRCOZRJFPNEKMM-UHFFFAOYSA-N	-1	0	251.286	0.768	20	30		CCEDRM
C=CCCO[C@H](C)C(=O)[N-]S(=O)(=O)N(C)CC	ZINC000744239151	581835955	/nfs/dbraw/zinc/83/59/55/581835955.db2.gz	QHGHGJMMZOZPIM-SECBINFHSA-N	-1	0	264.347	0.280	20	30		CCEDRM
C=CCN(CC(=O)[O-])S(=O)(=O)C[C@H]1CCCCO1	ZINC000275219537	277842911	/nfs/dbraw/zinc/84/29/11/277842911.db2.gz	DEOOABYAUSGBIM-SNVBAGLBSA-N	-1	0	277.342	0.458	20	30		CCEDRM
COC[C@@H](NC(=O)[C@H](C)Oc1ccccc1C#N)C(=O)[O-]	ZINC000158318852	292831650	/nfs/dbraw/zinc/83/16/50/292831650.db2.gz	FZYGCLMNJOFCMM-GXSJLCMTSA-N	-1	0	292.291	0.541	20	30		CCEDRM
C=CCN=c1[n-]nc(S(=O)(=O)CC(F)F)s1	ZINC000390783943	545087313	/nfs/dbraw/zinc/08/73/13/545087313.db2.gz	MKBDUEACVIMKLP-UHFFFAOYSA-N	-1	0	269.298	0.597	20	30		CCEDRM
C[C@H](C(=O)[O-])N(C)C(=O)CNc1cccc(C#N)c1	ZINC000427972479	298207003	/nfs/dbraw/zinc/20/70/03/298207003.db2.gz	BBPURWBHHJROIG-SECBINFHSA-N	-1	0	261.281	0.902	20	30		CCEDRM
Cc1[n-][nH]c(=NC(=O)c2cccc(OCC(N)=O)c2)c1C#N	ZINC000357262612	300889212	/nfs/dbraw/zinc/88/92/12/300889212.db2.gz	SMCWVFSPJDJZIC-UHFFFAOYSA-N	-1	0	299.290	0.128	20	30		CCEDRM
N#Cc1ccc(S(=O)(=O)N2CCCC[C@@H]2C(=O)[O-])cn1	ZINC000132367656	303196474	/nfs/dbraw/zinc/19/64/74/303196474.db2.gz	DASKZNFWHMHWCF-LLVKDONJSA-N	-1	0	295.320	0.581	20	30		CCEDRM
N#C[C@H]1COCCN1C(=O)c1ccc([O-])c([N+](=O)[O-])c1	ZINC000182869941	327815861	/nfs/dbraw/zinc/81/58/61/327815861.db2.gz	FLYKPSIVUWFNRD-VIFPVBQESA-N	-1	0	277.236	0.665	20	30		CCEDRM
CC#CC[C@@H](NS(=O)(=O)CC(C)(C)C)C(=O)[O-]	ZINC000563226505	327982320	/nfs/dbraw/zinc/98/23/20/327982320.db2.gz	OEPFJCYKNYQXEJ-SECBINFHSA-N	-1	0	261.343	0.819	20	30		CCEDRM
C[C@@H](C(=O)[O-])C1CN(S(=O)(=O)CC2(CC#N)CC2)C1	ZINC000563227422	327982966	/nfs/dbraw/zinc/98/29/66/327982966.db2.gz	WBTXEOSTYSBEEK-SECBINFHSA-N	-1	0	286.353	0.663	20	30		CCEDRM
CC#CC[C@H](NS(=O)(=O)c1cn(CC)c(C)n1)C(=O)[O-]	ZINC000582565720	329112239	/nfs/dbraw/zinc/11/22/39/329112239.db2.gz	PMGVWVRXBJOWEE-JTQLQIEISA-N	-1	0	299.352	0.356	20	30		CCEDRM
COC(=O)NCC(=O)[N-]S(=O)(=O)c1cccc(C#N)c1	ZINC000048519542	328309480	/nfs/dbraw/zinc/30/94/80/328309480.db2.gz	XPWTXCXRVPVMBE-UHFFFAOYSA-N	-1	0	297.292	0.559	20	30		CCEDRM
CC(C)Oc1ccc(=NC(=O)N[C@]2(CO)CCOC2)[n-]n1	ZINC000330592137	328464361	/nfs/dbraw/zinc/46/43/61/328464361.db2.gz	ZRFLLUKTMOBFML-ZDUSSCGKSA-N	-1	0	296.327	0.163	20	30		CCEDRM
CO[C@H](CNS(=O)(=O)CCCCC#N)CC(=O)[O-]	ZINC000530541133	326859029	/nfs/dbraw/zinc/85/90/29/326859029.db2.gz	HBLDQGPNFUYXMI-VIFPVBQESA-N	-1	0	278.330	0.089	20	30		CCEDRM
C=CCC[C@H](NC(=O)CN1CCCCCC1=O)C(=O)[O-]	ZINC000263032193	326987714	/nfs/dbraw/zinc/98/77/14/326987714.db2.gz	YZXHLBMVJQKREE-NSHDSACASA-N	-1	0	282.340	0.925	20	30		CCEDRM
CCN(C[C@H](C)C#N)S(=O)(=O)N[C@H](C(=O)[O-])C1CC1	ZINC000569249937	327074393	/nfs/dbraw/zinc/07/43/93/327074393.db2.gz	VHNOGYHJDYEEBS-SCZZXKLOSA-N	-1	0	289.357	0.166	20	30		CCEDRM
C=C(C)CS(=O)(=O)N1CC[C@@](COC)(C(=O)[O-])C1	ZINC000569573815	327200145	/nfs/dbraw/zinc/20/01/45/327200145.db2.gz	ZLLRAWSQRSEQPC-LLVKDONJSA-N	-1	0	277.342	0.315	20	30		CCEDRM
C[C@@H](C#N)CN(C)S(=O)(=O)N[C@H](C(=O)[O-])C(C)(C)C	ZINC000584295261	327225633	/nfs/dbraw/zinc/22/56/33/327225633.db2.gz	XHHCXMBHPJKZLN-DTWKUNHWSA-N	-1	0	291.373	0.412	20	30		CCEDRM
C[C@@H]1CN(S(=O)(=O)CCCC#N)[C@H](C(=O)[O-])[C@@H](C)O1	ZINC000578193348	327304369	/nfs/dbraw/zinc/30/43/69/327304369.db2.gz	TUOFGBUXHRSPSA-BBBLOLIVSA-N	-1	0	290.341	0.182	20	30		CCEDRM
C=CCOC[C@H](NC(=O)Cc1ccc(C)o1)C(=O)[O-]	ZINC000560445006	327307928	/nfs/dbraw/zinc/30/79/28/327307928.db2.gz	FFASUKGVIPXRAD-NSHDSACASA-N	-1	0	267.281	0.903	20	30		CCEDRM
C=CC[C@H](C)NS(=O)(=O)N1CCC[C@H]1C(=O)[O-]	ZINC000582238997	328843589	/nfs/dbraw/zinc/84/35/89/328843589.db2.gz	GSBKZIHVLNLHAV-IUCAKERBSA-N	-1	0	262.331	0.334	20	30		CCEDRM
C=C[C@@H](CCC(=O)[O-])NS(=O)(=O)c1c(C)noc1C	ZINC000582471206	329093407	/nfs/dbraw/zinc/09/34/07/329093407.db2.gz	IGVVLCUJZXMEHP-VIFPVBQESA-N	-1	0	288.325	0.989	20	30		CCEDRM
C=CCOC[C@H](NC(=O)CC1(COC)CC1)C(=O)[O-]	ZINC000583086740	329307719	/nfs/dbraw/zinc/30/77/19/329307719.db2.gz	TYYAEOXEKTXWJE-JTQLQIEISA-N	-1	0	271.313	0.575	20	30		CCEDRM
C=CCCn1cc(C(=O)N2CCC[C@]2(C)C(=O)[O-])nn1	ZINC000425238361	329646449	/nfs/dbraw/zinc/64/64/49/329646449.db2.gz	IWHWDRROPXYSTD-CYBMUJFWSA-N	-1	0	278.312	0.934	20	30		CCEDRM
C=CCC[C@H](NC(=O)CCn1cc([N+](=O)[O-])cn1)C(=O)[O-]	ZINC000262768832	330030322	/nfs/dbraw/zinc/03/03/22/330030322.db2.gz	AFUVUZUFKLAXBT-JTQLQIEISA-N	-1	0	296.283	0.717	20	30		CCEDRM
C=CCOCCCC(=O)N1CCO[C@H](C(=O)[O-])C1	ZINC000262953897	330037497	/nfs/dbraw/zinc/03/74/97/330037497.db2.gz	JGJBDVNRZALGIH-JTQLQIEISA-N	-1	0	257.286	0.281	20	30		CCEDRM
C=CCCOCCNC(=O)c1cnc(C(=O)[O-])cn1	ZINC000263248285	330050684	/nfs/dbraw/zinc/05/06/84/330050684.db2.gz	GSADSVSXOFMWHW-UHFFFAOYSA-N	-1	0	265.269	0.497	20	30		CCEDRM
C/C=C/C[C@@H](NC(=O)C1(C#N)CCOCC1)C(=O)[O-]	ZINC000263285027	330051647	/nfs/dbraw/zinc/05/16/47/330051647.db2.gz	PGVJUEMUALVIKK-VMZHVLLKSA-N	-1	0	266.297	0.842	20	30		CCEDRM
C#C[C@H](NC(=O)N1CC[C@@](C)(C(=O)[O-])C1)[C@H]1CCCO1	ZINC000263341230	330052732	/nfs/dbraw/zinc/05/27/32/330052732.db2.gz	FKGGNFGTDRPLSK-MISXGVKJSA-N	-1	0	280.324	0.673	20	30		CCEDRM
C=CCN1CC[C@H](N(C)c2cnc(C(=O)[O-])cn2)C1=O	ZINC000263443925	330056263	/nfs/dbraw/zinc/05/62/63/330056263.db2.gz	XYZZOEUELQJRKM-JTQLQIEISA-N	-1	0	276.296	0.398	20	30		CCEDRM
CC[C@H](C)[C@H](NS(=O)(=O)N(C)C[C@H](C)C#N)C(=O)[O-]	ZINC000263553338	330059395	/nfs/dbraw/zinc/05/93/95/330059395.db2.gz	MMGATQITGHOPTG-UTLUCORTSA-N	-1	0	291.373	0.412	20	30		CCEDRM
C[C@H]1CC[C@@H](C(=O)[O-])CN1S(=O)(=O)N(C)CCC#N	ZINC000422552389	330149121	/nfs/dbraw/zinc/14/91/21/330149121.db2.gz	HCTVZJNOVVWZGZ-VHSXEESVSA-N	-1	0	289.357	0.262	20	30		CCEDRM
C=CCN(CC=C)C(=O)C(=O)N1C[C@@H](C)[C@H](C(=O)[O-])C1	ZINC000422716377	330151786	/nfs/dbraw/zinc/15/17/86/330151786.db2.gz	UELOZZKMRRKWFS-GHMZBOCLSA-N	-1	0	280.324	0.366	20	30		CCEDRM
C=CCCN(C)C(=O)C(=O)N1CC[C@](C)(C(=O)[O-])C1	ZINC000422873229	330158639	/nfs/dbraw/zinc/15/86/39/330158639.db2.gz	KORCOOFZYREWTA-ZDUSSCGKSA-N	-1	0	268.313	0.344	20	30		CCEDRM
C[C@H](C#N)CN(C)C(=O)C(=O)N1C[C@@H](C)C[C@H](C(=O)[O-])C1	ZINC000422944301	330161915	/nfs/dbraw/zinc/16/19/15/330161915.db2.gz	LJJVNSQJIYPLFJ-AXFHLTTASA-N	-1	0	295.339	0.174	20	30		CCEDRM
C=C[C@@H]1CCCCN1C(=O)C(=O)N(C)C[C@H](C)C(=O)[O-]	ZINC000422902833	330162337	/nfs/dbraw/zinc/16/23/37/330162337.db2.gz	DRIDBSGJWOCGIB-WDEREUQCSA-N	-1	0	282.340	0.733	20	30		CCEDRM
C=CCCn1cc(C(=O)N[C@H](C)CC(=O)[O-])nn1	ZINC000424228788	330330775	/nfs/dbraw/zinc/33/07/75/330330775.db2.gz	UWWXTLMQUWDDIO-MRVPVSSYSA-N	-1	0	252.274	0.447	20	30		CCEDRM
CCN(CCC#N)S(=O)(=O)NCCC(C)(C)C(=O)[O-]	ZINC000424394391	330349963	/nfs/dbraw/zinc/34/99/63/330349963.db2.gz	STRPUNSWWJZZRH-UHFFFAOYSA-N	-1	0	291.373	0.557	20	30		CCEDRM
CC(C)(CCNS(=O)(=O)CC1(C#N)CC1)C(=O)[O-]	ZINC000424396196	330350150	/nfs/dbraw/zinc/35/01/50/330350150.db2.gz	WXUCDAOFPUFPSA-UHFFFAOYSA-N	-1	0	274.342	0.710	20	30		CCEDRM
C=CCN(C)C(=O)C(=O)NCCC(C)(C)C(=O)[O-]	ZINC000424479586	330354888	/nfs/dbraw/zinc/35/48/88/330354888.db2.gz	HUOYZIRGHDCIQN-UHFFFAOYSA-N	-1	0	256.302	0.248	20	30		CCEDRM
C=CCn1cc(CNC(=O)N2CCC[C@H](C(=O)[O-])C2)nn1	ZINC000514824998	330465181	/nfs/dbraw/zinc/46/51/81/330465181.db2.gz	GYAGIQIADFPASW-JTQLQIEISA-N	-1	0	293.327	0.470	20	30		CCEDRM
N#CCc1ccc(NC(=O)NCc2n[nH]c(=O)[n-]2)cc1	ZINC000444643652	330816289	/nfs/dbraw/zinc/81/62/89/330816289.db2.gz	ZYHOCDMEKBPWEP-UHFFFAOYSA-N	-1	0	272.268	0.898	20	30		CCEDRM
C=C[C@@H]1OCC[C@H]1NC(=O)c1c[nH]c(=O)c([N+](=O)[O-])c1	ZINC000452954582	331081737	/nfs/dbraw/zinc/08/17/37/331081737.db2.gz	NJSOKRKXOBYMFO-SCZZXKLOSA-N	-1	0	279.252	0.769	20	30		CCEDRM
C#CCNC(=O)c1ccc2c(c1)[n-]c(=S)[nH]c2=O	ZINC000490539367	332090942	/nfs/dbraw/zinc/09/09/42/332090942.db2.gz	LFGCARJUFNFKES-UHFFFAOYSA-N	-1	0	259.290	0.987	20	30		CCEDRM
C#CCN(CC#CC)Cc1cc(=O)n2[n-]ccc2n1	ZINC000490840214	332119335	/nfs/dbraw/zinc/11/93/35/332119335.db2.gz	MUTMVRJTDDDMNP-UHFFFAOYSA-N	-1	0	254.293	0.481	20	30		CCEDRM
C#CCN(CC#C)C(=O)c1ccc(-c2nc(=O)o[n-]2)cc1	ZINC000490872143	332122829	/nfs/dbraw/zinc/12/28/29/332122829.db2.gz	DXCFWEWWIXVOBF-UHFFFAOYSA-N	-1	0	281.271	0.739	20	30		CCEDRM
C#CCN(CC#N)C(=O)c1ccc([N+](=O)[O-])cc1[O-]	ZINC000490985800	332136144	/nfs/dbraw/zinc/13/61/44/332136144.db2.gz	NPHPJVCSIFOMQQ-UHFFFAOYSA-N	-1	0	259.221	0.899	20	30		CCEDRM
C#C[C@H](CC)NC(=O)N=c1[n-]n(C)cc1C(=O)OCC	ZINC000491148489	332156870	/nfs/dbraw/zinc/15/68/70/332156870.db2.gz	WDNDNKOUTMOOQI-SECBINFHSA-N	-1	0	278.312	0.552	20	30		CCEDRM
C#CCN(CC(=O)Nc1nnn[n-]1)[C@H]1CCc2ccccc21	ZINC000491727954	332310822	/nfs/dbraw/zinc/31/08/22/332310822.db2.gz	CPVNVPCSPKNXBH-ZDUSSCGKSA-N	-1	0	296.334	0.761	20	30		CCEDRM
C#C[C@@H]1COCCN1C(=O)N=c1[n-]nc(C(F)F)s1	ZINC000491742536	332320904	/nfs/dbraw/zinc/32/09/04/332320904.db2.gz	SRQAREUIOVRWBH-ZCFIWIBFSA-N	-1	0	288.279	0.764	20	30		CCEDRM
C=CCS(=O)(=O)[N-]C(=O)/C=C/c1ccnn1C	ZINC000492326068	332392683	/nfs/dbraw/zinc/39/26/83/332392683.db2.gz	WMQFVGXQVRCYOT-SNAWJCMRSA-N	-1	0	255.299	0.065	20	30		CCEDRM
Cc1c(/C=C\C(=O)[N-]S(=O)(=O)CCCC#N)cnn1C	ZINC000492388576	332395289	/nfs/dbraw/zinc/39/52/89/332395289.db2.gz	WCXYFUWKTQXLAM-WAYWQWQTSA-N	-1	0	296.352	0.492	20	30		CCEDRM
C#CCCS(=O)(=O)[N-]C(=O)/C=C/c1ccc(C)cn1	ZINC000493290574	332434162	/nfs/dbraw/zinc/43/41/62/332434162.db2.gz	QDYBLWALOMXCBG-BQYQJAHWSA-N	-1	0	278.333	0.873	20	30		CCEDRM
CC(C)(C)OC(=O)NC(C)(C)C=Nn1c(=O)[n-][nH]c1=O	ZINC000495722393	332528089	/nfs/dbraw/zinc/52/80/89/332528089.db2.gz	UUGZOQDKKSBZSM-UHFFFAOYSA-N	-1	0	285.304	0.827	20	30		CCEDRM
C=C[C@H](C)O[N-]C(=O)CNC(=O)OCC(F)(F)F	ZINC000496169066	332541108	/nfs/dbraw/zinc/54/11/08/332541108.db2.gz	JKLQYTHWTMYVBA-LURJTMIESA-N	-1	0	270.207	0.897	20	30		CCEDRM
C=C(C)CS(=O)(=O)N(CCOC)CCC(=O)[O-]	ZINC000566913349	334669149	/nfs/dbraw/zinc/66/91/49/334669149.db2.gz	STFVJRKBMFPBBW-UHFFFAOYSA-N	-1	0	265.331	0.315	20	30		CCEDRM
C[C@H](CC#N)N(C)S(=O)(=O)N1CC[C@H](C(=O)[O-])[C@H]1C	ZINC000517376506	333098352	/nfs/dbraw/zinc/09/83/52/333098352.db2.gz	LPLSZTKVXNPMFC-BBBLOLIVSA-N	-1	0	289.357	0.260	20	30		CCEDRM
C#CCN(CC#C)S(=O)(=O)c1cc(C(=O)[O-])ccc1C	ZINC000185039744	333134895	/nfs/dbraw/zinc/13/48/95/333134895.db2.gz	GPUUVXNCRZHYNB-UHFFFAOYSA-N	-1	0	291.328	0.950	20	30		CCEDRM
C=CCOC[C@H](NS(=O)(=O)CC(=C)C)C(=O)[O-]	ZINC000576156834	335161696	/nfs/dbraw/zinc/16/16/96/335161696.db2.gz	LNUFAPYDPZEODE-VIFPVBQESA-N	-1	0	263.315	0.138	20	30		CCEDRM
CC#CC[C@@H](NS(=O)(=O)N1CCC[C@H]1C)C(=O)[O-]	ZINC000543785856	333898618	/nfs/dbraw/zinc/89/86/18/333898618.db2.gz	CVAXSTSHMHTPDM-NXEZZACHSA-N	-1	0	274.342	0.172	20	30		CCEDRM
C[C@H](CC(=O)[O-])N(CCO)S(=O)(=O)CCCCC#N	ZINC000548561743	334162607	/nfs/dbraw/zinc/16/26/07/334162607.db2.gz	XPGRDKXBFVZOEK-SNVBAGLBSA-N	-1	0	292.357	0.168	20	30		CCEDRM
CCCSC[C@H](NS(=O)(=O)CCCC#N)C(=O)[O-]	ZINC000548565629	334162672	/nfs/dbraw/zinc/16/26/72/334162672.db2.gz	RISDZNJGGKFRLM-VIFPVBQESA-N	-1	0	294.398	0.806	20	30		CCEDRM
CC(C)[C@H](C(=O)[O-])[C@@H](C)NS(=O)(=O)CCCC#N	ZINC000568384534	334821296	/nfs/dbraw/zinc/82/12/96/334821296.db2.gz	LSBBADWXXDFYEL-ZJUUUORDSA-N	-1	0	276.358	0.955	20	30		CCEDRM
CCOC(=O)CCCCCn1c(=O)[n-]cc(C#N)c1=O	ZINC000576823730	335252201	/nfs/dbraw/zinc/25/22/01/335252201.db2.gz	YTXQITDYTZUHDF-UHFFFAOYSA-N	-1	0	279.296	0.532	20	30		CCEDRM
C=CCOC[C@H](NC(=O)c1ccnn1CCC)C(=O)[O-]	ZINC000581083582	336006632	/nfs/dbraw/zinc/00/66/32/336006632.db2.gz	VAZOJFBRGXADKB-JTQLQIEISA-N	-1	0	281.312	0.679	20	30		CCEDRM
C[C@@H](C#N)CNS(=O)(=O)c1ccc(C(=O)[O-])s1	ZINC000054156647	526237898	/nfs/dbraw/zinc/23/78/98/526237898.db2.gz	ZFCDQTPTWOSVBH-LURJTMIESA-N	-1	0	274.323	0.884	20	30		CCEDRM
C=C(C)[C@H](CC(=O)NCc1n[n-]c(=N)o1)OCC	ZINC000354840577	526813902	/nfs/dbraw/zinc/81/39/02/526813902.db2.gz	NBTQUXFEPOURNA-QMMMGPOBSA-N	-1	0	254.290	0.470	20	30		CCEDRM
C=C1CCN(C(=O)c2cc(S(N)(=O)=O)ccc2[O-])CC1	ZINC000668303512	545172162	/nfs/dbraw/zinc/17/21/62/545172162.db2.gz	KIFKURNUCZXVBO-UHFFFAOYSA-N	-1	0	296.348	0.832	20	30		CCEDRM
C=CCN(CC(=O)[O-])S(=O)(=O)CC[C@@H]1CCCO1	ZINC000681586919	545457237	/nfs/dbraw/zinc/45/72/37/545457237.db2.gz	MSEHDQIBMFJJEC-JTQLQIEISA-N	-1	0	277.342	0.458	20	30		CCEDRM
C#CCOCCC(=O)[N-]S(=O)(=O)Cc1cccc(C)c1	ZINC000778816605	581167292	/nfs/dbraw/zinc/16/72/92/581167292.db2.gz	WFNHQCKKBRMQLG-UHFFFAOYSA-N	-1	0	295.360	0.981	20	30		CCEDRM
C[C@@H](CCNC(=O)NC1CCN(CC#N)CC1)NC(=O)[O-]	ZINC000738905997	581178289	/nfs/dbraw/zinc/17/82/89/581178289.db2.gz	NRJWIHFPRCFOMZ-JTQLQIEISA-N	-1	0	297.359	0.320	20	30		CCEDRM
O=C([O-])c1cc(C=NN2CCCNC2=O)ccc1O	ZINC000777441995	581115858	/nfs/dbraw/zinc/11/58/58/581115858.db2.gz	APBGDCMJEYIJDO-UHFFFAOYSA-N	-1	0	263.253	0.840	20	30		CCEDRM
CCN(C[C@H](C)C#N)C(=O)CN1CCN(C(=O)[O-])[C@H](C)C1	ZINC000739402910	581131145	/nfs/dbraw/zinc/13/11/45/581131145.db2.gz	IDWCVSHYWGBUOI-VXGBXAGGSA-N	-1	0	296.371	0.679	20	30		CCEDRM
C=CCS(=O)(=O)[N-]C(=O)c1n[nH]c2c1CCCCC2	ZINC000789404036	581147892	/nfs/dbraw/zinc/14/78/92/581147892.db2.gz	DQZPYJZJLXNDMR-UHFFFAOYSA-N	-1	0	283.353	0.924	20	30		CCEDRM
N#Cc1cccc(C(=O)[N-]S(=O)(=O)c2cc[nH]n2)c1	ZINC000789792270	581157321	/nfs/dbraw/zinc/15/73/21/581157321.db2.gz	FOMNQPFJRRQJKO-UHFFFAOYSA-N	-1	0	276.277	0.400	20	30		CCEDRM
C[C@@H]1C[C@H](NS(=O)(=O)Cc2ccc(C#N)cc2)C(=O)O1	ZINC000784108918	581165973	/nfs/dbraw/zinc/16/59/73/581165973.db2.gz	WCRDITVCPKZERR-SKDRFNHKSA-N	-1	0	294.332	0.682	20	30		CCEDRM
COCC1(C(=O)[N-]S(=O)(=O)c2ccc(C#N)cc2)CC1	ZINC000779189189	581176741	/nfs/dbraw/zinc/17/67/41/581176741.db2.gz	IWBOFORXCATEDC-UHFFFAOYSA-N	-1	0	294.332	0.790	20	30		CCEDRM
COc1cccc(C=NNc2nnc(C)c(=O)[n-]2)n1	ZINC000790148778	581178437	/nfs/dbraw/zinc/17/84/37/581178437.db2.gz	LZCDOAHFZCFBKI-UHFFFAOYSA-N	-1	0	260.257	0.735	20	30		CCEDRM
C#CCCS(=O)(=O)[N-]C(=O)c1ccc(OC)c(OC)c1	ZINC000791110268	581207733	/nfs/dbraw/zinc/20/77/33/581207733.db2.gz	AJCXMROWJSGXFB-UHFFFAOYSA-N	-1	0	297.332	0.787	20	30		CCEDRM
C#CCCCCCC(=O)[N-]S(=O)(=O)c1cnn(C)c1	ZINC000780301503	581224103	/nfs/dbraw/zinc/22/41/03/581224103.db2.gz	IUURWSDLCIOQED-UHFFFAOYSA-N	-1	0	283.353	0.809	20	30		CCEDRM
COc1cncc(C([O-])=C(C#N)C(=O)NC(C)C)n1	ZINC000791772628	581233247	/nfs/dbraw/zinc/23/32/47/581233247.db2.gz	DNZMLSGCMGQGGE-MRVPVSSYSA-N	-1	0	262.269	0.332	20	30		CCEDRM
C#CCCCCCC(=O)N1CCO[C@@H](c2nnn[n-]2)C1	ZINC000780932193	581250321	/nfs/dbraw/zinc/25/03/21/581250321.db2.gz	LEINCSIFPLPCNS-LLVKDONJSA-N	-1	0	277.328	0.683	20	30		CCEDRM
CC[C@H](NN=C(C)c1cccc(-n2cnnn2)c1)C(=O)[O-]	ZINC000793057253	581282680	/nfs/dbraw/zinc/28/26/80/581282680.db2.gz	NINALNIBBOMZIN-LBPRGKRZSA-N	-1	0	288.311	0.839	20	30		CCEDRM
CCCCCCNC(=O)C(C#N)=C([O-])c1cnn(C)n1	ZINC000793123836	581284673	/nfs/dbraw/zinc/28/46/73/581284673.db2.gz	NGECXAVIZDRHHF-SNVBAGLBSA-N	-1	0	277.328	0.834	20	30		CCEDRM
Cc1cc(C(C#N)=C([O-])c2cnn(C)n2)nc(C)n1	ZINC000793124817	581285056	/nfs/dbraw/zinc/28/50/56/581285056.db2.gz	NCKUVHHORMXYOT-SECBINFHSA-N	-1	0	256.269	0.712	20	30		CCEDRM
C[C@H]1C[C@@H](C(=O)[N-]S(=O)(=O)CC2(C#N)CC2)CCO1	ZINC000793195851	581287759	/nfs/dbraw/zinc/28/77/59/581287759.db2.gz	GMFQVXIJSAWTMJ-UWVGGRQHSA-N	-1	0	286.353	0.551	20	30		CCEDRM
C[C@@H]1CC(=O)CC[C@@H]1C(=O)[N-]S(=O)(=O)CC1(C#N)CC1	ZINC000793194585	581287830	/nfs/dbraw/zinc/28/78/30/581287830.db2.gz	QLQGHPWIGXKAPE-KOLCDFICSA-N	-1	0	298.364	0.741	20	30		CCEDRM
Cc1nnc([S-])n(N=C[C@H]2CCSC2)c1=O	ZINC000782133553	581289980	/nfs/dbraw/zinc/28/99/80/581289980.db2.gz	ZORMILRLQPNITO-SSDOTTSWSA-N	-1	0	256.356	0.822	20	30		CCEDRM
C=C[C@@](C)(CCOC)C(=O)[N-]S(=O)(=O)[C@H]1CCOC1	ZINC000783100205	581335800	/nfs/dbraw/zinc/33/58/00/581335800.db2.gz	USJUPBZGWSYMIH-JQWIXIFHSA-N	-1	0	291.369	0.450	20	30		CCEDRM
C=CCS(=O)(=O)[N-]C(=O)[C@](C)(C=C)CCOC	ZINC000783126844	581336638	/nfs/dbraw/zinc/33/66/38/581336638.db2.gz	QHMAQDBFXJKDLG-LLVKDONJSA-N	-1	0	261.343	0.847	20	30		CCEDRM
C=C(C)CN(CC)C(=O)[C@H]1C[C@@H](O)CN1C(=O)[O-]	ZINC000738470094	581343708	/nfs/dbraw/zinc/34/37/08/581343708.db2.gz	HYXLMYBDONVZGM-NXEZZACHSA-N	-1	0	256.302	0.524	20	30		CCEDRM
C=CCOCC(=O)OCc1cc(=O)n2[n-]cc(C#N)c2n1	ZINC000783505029	581348129	/nfs/dbraw/zinc/34/81/29/581348129.db2.gz	XRJHPWXXSYHNNF-UHFFFAOYSA-N	-1	0	288.263	0.552	20	30		CCEDRM
C=C(COC(=O)[C@@H]1CCN(C(=O)[O-])C1)C(=O)OCC	ZINC000738485685	581356362	/nfs/dbraw/zinc/35/63/62/581356362.db2.gz	NMNNPCOEVUXCKC-SECBINFHSA-N	-1	0	271.269	0.649	20	30		CCEDRM
CC[C@@H](C)S(=O)(=O)[N-]C(=O)c1ccc(C#N)nc1	ZINC000785081990	581401248	/nfs/dbraw/zinc/40/12/48/581401248.db2.gz	MQJVNLGVZUHODY-MRVPVSSYSA-N	-1	0	267.310	0.811	20	30		CCEDRM
Cn1cc(S(=O)(=O)[N-]C(=O)c2ccc(C#N)o2)cn1	ZINC000796712332	581448794	/nfs/dbraw/zinc/44/87/94/581448794.db2.gz	CHQBSOAXZKNSMP-UHFFFAOYSA-N	-1	0	280.265	0.003	20	30		CCEDRM
N#Cc1cc(C(=O)[N-]S(=O)(=O)C[C@H]2CCOC2)ccn1	ZINC000796802897	581451238	/nfs/dbraw/zinc/45/12/38/581451238.db2.gz	JVQDNFNASDWKNP-VIFPVBQESA-N	-1	0	295.320	0.049	20	30		CCEDRM
CC#CCS(=O)(=O)[N-]C(=O)CCc1cncc(C)c1	ZINC000797186653	581461369	/nfs/dbraw/zinc/46/13/69/581461369.db2.gz	OBSLXTGCPYZGEZ-UHFFFAOYSA-N	-1	0	280.349	0.792	20	30		CCEDRM
O=C([O-])NC[C@H]1CCCC1=NN[C@@H]1CCS(=O)(=O)C1	ZINC000740621739	581518545	/nfs/dbraw/zinc/51/85/45/581518545.db2.gz	YUDWUXOZXYZGJP-RKDXNWHRSA-N	-1	0	289.357	0.187	20	30		CCEDRM
CCS(=O)(=O)CC(C)N=Nc1nc(C)cc(=O)[n-]1	ZINC000733743474	581523462	/nfs/dbraw/zinc/52/34/62/581523462.db2.gz	UEVBNBMSUGWDCS-UHFFFAOYSA-N	-1	0	272.330	0.713	20	30		CCEDRM
C[C@H](CO)NN=Cc1[nH]nc2cc(C(=O)[O-])ccc21	ZINC000765582583	581526489	/nfs/dbraw/zinc/52/64/89/581526489.db2.gz	XDXAJCGQCVOGJO-SSDOTTSWSA-N	-1	0	262.269	0.565	20	30		CCEDRM
CCN(CC(=O)O[C@H](C)C(=O)N(C)CCC#N)C(=O)[O-]	ZINC000739401741	581547062	/nfs/dbraw/zinc/54/70/62/581547062.db2.gz	IIMCQDJOJBZGKL-SECBINFHSA-N	-1	0	285.300	0.290	20	30		CCEDRM
CCN(C[C@H](C)C#N)C(=O)CN(C)[C@H](C)CNC(=O)[O-]	ZINC000739405606	581547613	/nfs/dbraw/zinc/54/76/13/581547613.db2.gz	XUXIOHVZUYTYQC-GHMZBOCLSA-N	-1	0	284.360	0.582	20	30		CCEDRM
CCN(C[C@@H](C)C#N)C(=O)COCCNC(=O)[O-]	ZINC000739404470	581547827	/nfs/dbraw/zinc/54/78/27/581547827.db2.gz	XALLZOGFBHQFMP-VIFPVBQESA-N	-1	0	257.290	0.279	20	30		CCEDRM
CCN(CCC#N)C(=O)CN1CCN(C(=O)[O-])[C@@H](C)C1	ZINC000739416246	581549214	/nfs/dbraw/zinc/54/92/14/581549214.db2.gz	YYDCPGGQMUIKDD-NSHDSACASA-N	-1	0	282.344	0.433	20	30		CCEDRM
Cc1nnc([S-])n(N=C2C[C@@H](C)N(C3CC3)C2)c1=O	ZINC000753956076	581566798	/nfs/dbraw/zinc/56/67/98/581566798.db2.gz	UEGOELSMLGTVGF-SSDOTTSWSA-N	-1	0	279.369	0.696	20	30		CCEDRM
C=CCOCC(=O)[N-]S(=O)(=O)c1ccsc1	ZINC000766455665	581567068	/nfs/dbraw/zinc/56/70/68/581567068.db2.gz	ZNZJWAWYNOBLSI-UHFFFAOYSA-N	-1	0	261.324	0.756	20	30		CCEDRM
CC[C@H](NC(=O)[O-])C(=O)NC1(C#N)CCOCC1	ZINC000739531035	581567091	/nfs/dbraw/zinc/56/70/91/581567091.db2.gz	XLAOFPJAHFCMMK-QMMMGPOBSA-N	-1	0	255.274	0.222	20	30		CCEDRM
CN(C(=O)COC(=O)CC(C)(C)NC(=O)[O-])C(C)(C)C#N	ZINC000739572452	581573929	/nfs/dbraw/zinc/57/39/29/581573929.db2.gz	PRIXPWAORQOKHR-UHFFFAOYSA-N	-1	0	299.327	0.726	20	30		CCEDRM
CN(C[C@@H]1CCN(c2nccnc2C#N)C1)C(=O)[O-]	ZINC000739663979	581589452	/nfs/dbraw/zinc/58/94/52/581589452.db2.gz	OTIQWUUNSLETFA-VIFPVBQESA-N	-1	0	261.285	0.784	20	30		CCEDRM
CN(CCN1CCN(C(=O)[O-])CC1)C(=O)C(C)(C)C#N	ZINC000739681054	581592784	/nfs/dbraw/zinc/59/27/84/581592784.db2.gz	DWQSCELBXACLBO-UHFFFAOYSA-N	-1	0	282.344	0.290	20	30		CCEDRM
N#CCN(C(=O)c1ccc(-c2nn[nH]n2)cn1)C1CC1	ZINC000737692569	581603719	/nfs/dbraw/zinc/60/37/19/581603719.db2.gz	IJYRQDVPPWSYSB-UHFFFAOYSA-N	-1	0	269.268	0.390	20	30		CCEDRM
N#CC(C(=O)NC1CC1)=C([O-])c1ccc(-n2cnnc2)cc1	ZINC000729890324	581618971	/nfs/dbraw/zinc/61/89/71/581618971.db2.gz	YPWLMVVLKYWKFH-ZDUSSCGKSA-N	-1	0	295.302	0.868	20	30		CCEDRM
N#CC(C(=O)NC1CC1)=C([O-])c1ccc(-n2cnnc2)cc1	ZINC000729890323	581619161	/nfs/dbraw/zinc/61/91/61/581619161.db2.gz	YPWLMVVLKYWKFH-CYBMUJFWSA-N	-1	0	295.302	0.868	20	30		CCEDRM
CCC(=Nn1c(=O)c(C)n[n-]c1=S)c1nccn1C	ZINC000755511896	581643374	/nfs/dbraw/zinc/64/33/74/581643374.db2.gz	YBUKUIIPCMZQTD-UHFFFAOYSA-N	-1	0	278.341	0.631	20	30		CCEDRM
Cc1ncoc1C(=O)[N-]S(=O)(=O)c1cccc(C#N)c1	ZINC000755585267	581647452	/nfs/dbraw/zinc/64/74/52/581647452.db2.gz	JKAAKNFQLXWSQL-UHFFFAOYSA-N	-1	0	291.288	0.973	20	30		CCEDRM
C=CCn1nc(CC)c(CC)c(-c2nnn[n-]2)c1=O	ZINC000735449266	581647979	/nfs/dbraw/zinc/64/79/79/581647979.db2.gz	OFUXBRKSCTZAQA-UHFFFAOYSA-N	-1	0	260.301	0.734	20	30		CCEDRM
N#C[C@@H]1CN(C(=O)CC2CCN(C(=O)[O-])CC2)CCO1	ZINC000740309113	581663371	/nfs/dbraw/zinc/66/33/71/581663371.db2.gz	DKZIIWCXWAGWCM-LLVKDONJSA-N	-1	0	281.312	0.517	20	30		CCEDRM
N#CC1(C(=O)N[C@H]2CCN(C(=O)[O-])C2)CCOCC1	ZINC000740311136	581663920	/nfs/dbraw/zinc/66/39/20/581663920.db2.gz	ZBKFDSYNZOKKKH-VIFPVBQESA-N	-1	0	267.285	0.175	20	30		CCEDRM
N#CC1(C(=O)N2CCC(NC(=O)[O-])CC2)CCOCC1	ZINC000740309702	581664096	/nfs/dbraw/zinc/66/40/96/581664096.db2.gz	MFDHEIRZXTYNAT-UHFFFAOYSA-N	-1	0	281.312	0.565	20	30		CCEDRM
N#Cc1cc([N+](=O)[O-])cnc1N1CC[C@@H](NC(=O)[O-])C1	ZINC000740314338	581664615	/nfs/dbraw/zinc/66/46/15/581664615.db2.gz	VALVHONVXBFFPH-MRVPVSSYSA-N	-1	0	277.240	0.708	20	30		CCEDRM
N#CCn1cc(NC(=O)[C@H]2CSCN2C(=O)[O-])cn1	ZINC000740311913	581664619	/nfs/dbraw/zinc/66/46/19/581664619.db2.gz	VXMBKTOWXJFOIV-MRVPVSSYSA-N	-1	0	281.297	0.398	20	30		CCEDRM
C#CCN1CCN(C(=O)[C@@H](CC(C)C)NC(=O)[O-])CC1	ZINC000736078487	581685971	/nfs/dbraw/zinc/68/59/71/581685971.db2.gz	AGNNFFHVSWUMCY-GFCCVEGCSA-N	-1	0	281.356	0.446	20	30		CCEDRM
C#CCCNC(=O)C(=O)Nc1cccc(NC(=O)[O-])c1	ZINC000736077907	581686269	/nfs/dbraw/zinc/68/62/69/581686269.db2.gz	ZZWOTJNTMFMJAR-UHFFFAOYSA-N	-1	0	275.264	0.855	20	30		CCEDRM
C#CCN(Cc1occc1C(=O)[O-])[C@H]1CCS(=O)(=O)C1	ZINC000736080729	581688216	/nfs/dbraw/zinc/68/82/16/581688216.db2.gz	XBYFMDAIENOLOQ-JTQLQIEISA-N	-1	0	297.332	0.600	20	30		CCEDRM
C=CCNC(=O)NC(=O)[C@H](C)SC[C@H](C)C(=O)[O-]	ZINC000736106244	581697166	/nfs/dbraw/zinc/69/71/66/581697166.db2.gz	VOKYZWHKIAHBTA-YUMQZZPRSA-N	-1	0	274.342	0.841	20	30		CCEDRM
C=CCNC(=O)C(=O)Nc1ccc(C(=O)[O-])cc1F	ZINC000736107056	581697531	/nfs/dbraw/zinc/69/75/31/581697531.db2.gz	QFNLZHPNJNLANL-UHFFFAOYSA-N	-1	0	266.228	0.765	20	30		CCEDRM
C=CCN(CC=C)C(=O)Cn1cnc(C(=O)[O-])n1	ZINC000736107923	581697807	/nfs/dbraw/zinc/69/78/07/581697807.db2.gz	AXNMIBKIPREKSX-UHFFFAOYSA-N	-1	0	250.258	0.177	20	30		CCEDRM
C#CCOc1ccccc1CNC(=O)CCNC(=O)[O-]	ZINC000736086987	581698895	/nfs/dbraw/zinc/69/88/95/581698895.db2.gz	ANPQGOSPLCXTHI-UHFFFAOYSA-N	-1	0	276.292	0.973	20	30		CCEDRM
C#Cc1cccc(NC(=O)CNC(=O)CCNC(=O)[O-])c1	ZINC000736091523	581700997	/nfs/dbraw/zinc/70/09/97/581700997.db2.gz	XSWDUTPPZYHESL-UHFFFAOYSA-N	-1	0	289.291	0.380	20	30		CCEDRM
C=C(C)CN(CC)C(=O)CS(=O)(=O)[C@H](C)CC(=O)[O-]	ZINC000736095010	581702124	/nfs/dbraw/zinc/70/21/24/581702124.db2.gz	DEHCRZSLTZESIW-SNVBAGLBSA-N	-1	0	291.369	0.689	20	30		CCEDRM
N#Cc1ccc(OC(=O)Cn2[n-]cc3c(=O)ncnc2-3)cc1	ZINC000730687608	581727191	/nfs/dbraw/zinc/72/71/91/581727191.db2.gz	YJYVKFUYZYQBFP-UHFFFAOYSA-N	-1	0	295.258	0.548	20	30		CCEDRM
CC#CCOC(=O)[C@H](NS(C)(=O)=O)C(C)(C)C	ZINC000770114374	581730681	/nfs/dbraw/zinc/73/06/81/581730681.db2.gz	YRTZMJJGFPTWQR-VIFPVBQESA-N	-1	0	261.343	0.517	20	30		CCEDRM
CC(C)[C@H](C#N)N1CCN(C(=O)[C@H]2C[C@@H]2C(=O)[O-])CC1	ZINC000736346857	581745941	/nfs/dbraw/zinc/74/59/41/581745941.db2.gz	AMUXKSWGYFQGAB-SRVKXCTJSA-N	-1	0	279.340	0.399	20	30		CCEDRM
CCc1nn(C)cc1C([O-])=C(C#N)C(=O)N1CCCC1	ZINC000771259246	581759833	/nfs/dbraw/zinc/75/98/33/581759833.db2.gz	XFBRVERMYNSLQM-SNVBAGLBSA-N	-1	0	274.324	0.927	20	30		CCEDRM
Cn1cccc1C([O-])=C(C#N)C(=O)c1nccn1C	ZINC000770731119	581765099	/nfs/dbraw/zinc/76/50/99/581765099.db2.gz	XOPPUIAHOGTUPM-VIFPVBQESA-N	-1	0	256.265	0.964	20	30		CCEDRM
C=CCS(=O)(=O)[N-]C(=O)c1cc(=O)[nH]c(C2CC2)c1	ZINC000770897628	581776532	/nfs/dbraw/zinc/77/65/32/581776532.db2.gz	NPBYEARDDOVQQD-UHFFFAOYSA-N	-1	0	282.321	0.910	20	30		CCEDRM
C=CCS(=O)(=O)[N-]C(=O)c1cccc([S@](C)=O)c1	ZINC000770897457	581776950	/nfs/dbraw/zinc/77/69/50/581776950.db2.gz	MHYKNQQDRDOTIS-KRWDZBQOSA-N	-1	0	287.362	0.670	20	30		CCEDRM
N#CC1(CS(=O)(=O)[N-]C(=O)c2cncnc2)CCC1	ZINC000771077347	581789627	/nfs/dbraw/zinc/78/96/27/581789627.db2.gz	JFFUGYXEYLSFJJ-UHFFFAOYSA-N	-1	0	280.309	0.230	20	30		CCEDRM
N#CC1(CS(=O)(=O)[N-]C(=O)C2=COCC2)CCC1	ZINC000771074720	581789755	/nfs/dbraw/zinc/78/97/55/581789755.db2.gz	UADHDMKZOMZTMI-UHFFFAOYSA-N	-1	0	270.310	0.430	20	30		CCEDRM
COC[C@H](C)CC(=O)[N-]S(=O)(=O)CC1(C#N)CCC1	ZINC000771075054	581789860	/nfs/dbraw/zinc/78/98/60/581789860.db2.gz	GNAITNVQGOFKQQ-SNVBAGLBSA-N	-1	0	288.369	0.799	20	30		CCEDRM
CO[C@@H](C)C(=O)[N-]S(=O)(=O)CC1(C#N)CCC1	ZINC000771078511	581790322	/nfs/dbraw/zinc/79/03/22/581790322.db2.gz	TWUSCJYEIMGLQB-QMMMGPOBSA-N	-1	0	260.315	0.161	20	30		CCEDRM
CNC(=O)C(C#N)=C([O-])c1cc(Br)nn1C	ZINC000759435111	581799168	/nfs/dbraw/zinc/79/91/68/581799168.db2.gz	HFWSMOYOAAUCAH-RXMQYKEDSA-N	-1	0	285.101	0.251	20	30		CCEDRM
C[C@H](OC(=O)[C@H]1C[C@@H]1C(=O)[O-])C(=O)N(C)CCC#N	ZINC000736689084	581818295	/nfs/dbraw/zinc/81/82/95/581818295.db2.gz	YEFPYXBNEMZAHW-CIUDSAMLSA-N	-1	0	268.269	0.011	20	30		CCEDRM
CCN(C)S(=O)(=O)[N-]C(=O)/C=C/c1ccccc1C#N	ZINC000744239807	581835839	/nfs/dbraw/zinc/83/58/39/581835839.db2.gz	ANIUTYKHUQLJHG-CMDGGOBGSA-N	-1	0	293.348	0.884	20	30		CCEDRM
C=CCS(=O)(=O)[N-]C(=O)c1cc(C(=O)OC)co1	ZINC000760252042	581851287	/nfs/dbraw/zinc/85/12/87/581851287.db2.gz	RXVMDTYCRRRTOM-UHFFFAOYSA-N	-1	0	273.266	0.312	20	30		CCEDRM
CCC[C@@](C)(NS(=O)(=O)CCCC#N)C(=O)[O-]	ZINC000736960017	581872484	/nfs/dbraw/zinc/87/24/84/581872484.db2.gz	TXYDJQLDXQAGCT-SNVBAGLBSA-N	-1	0	262.331	0.853	20	30		CCEDRM
C=CCS(=O)(=O)[N-]C(=O)[C@@H]1COc2ccccc2C1	ZINC000772710628	581884908	/nfs/dbraw/zinc/88/49/08/581884908.db2.gz	PTTSHKGPIUZUJE-NSHDSACASA-N	-1	0	281.333	0.870	20	30		CCEDRM
C=CCS(=O)(=O)[N-]C(=O)Cc1ccc([N+](=O)[O-])cc1	ZINC000772717076	581886210	/nfs/dbraw/zinc/88/62/10/581886210.db2.gz	BJIHFXXGBZNXGH-UHFFFAOYSA-N	-1	0	284.293	0.769	20	30		CCEDRM
C=CCS(=O)(=O)[N-]C(=O)CCOC1CCOCC1	ZINC000772718587	581886253	/nfs/dbraw/zinc/88/62/53/581886253.db2.gz	QWMYMCCVKBWOJF-UHFFFAOYSA-N	-1	0	277.342	0.204	20	30		CCEDRM
CCN(C[C@@H](C)C#N)C(=O)COC(=O)CCNC(=O)[O-]	ZINC000737079154	581897905	/nfs/dbraw/zinc/89/79/05/581897905.db2.gz	XFERGAHUXAAEGH-VIFPVBQESA-N	-1	0	285.300	0.195	20	30		CCEDRM
C[Si](C)(C)Cn1c(N)nc(-c2nnn[n-]2)c1C#N	ZINC000737196538	581922366	/nfs/dbraw/zinc/92/23/66/581922366.db2.gz	OUQHQNUJJGCXJC-UHFFFAOYSA-N	-1	0	262.353	0.394	20	30		CCEDRM
C=CCCCC(=O)[N-]S(=O)(=O)C[C@@H]1CCOC1	ZINC000762129579	581932635	/nfs/dbraw/zinc/93/26/35/581932635.db2.gz	PDQFUMJWRKGNTI-SNVBAGLBSA-N	-1	0	261.343	0.825	20	30		CCEDRM
C=CCOCCCC(=O)[N-]S(=O)(=O)CCCF	ZINC000747133860	581933115	/nfs/dbraw/zinc/93/31/15/581933115.db2.gz	KFZSEZIZMJFTET-UHFFFAOYSA-N	-1	0	267.322	0.775	20	30		CCEDRM
C=CCOCCCC(=O)[N-]S(=O)(=O)C[C@H]1CCOC1	ZINC000762143781	581933415	/nfs/dbraw/zinc/93/34/15/581933415.db2.gz	XQMMVQBTKNTAQQ-NSHDSACASA-N	-1	0	291.369	0.452	20	30		CCEDRM
C[C@@H](C#N)NC(=O)CSc1n[n-]c(=S)s1	ZINC000747370014	581938081	/nfs/dbraw/zinc/93/80/81/581938081.db2.gz	ZURBEQHAPRDFGX-BYPYZUCNSA-N	-1	0	260.369	0.947	20	30		CCEDRM
CN(CC#N)CC(=O)Nc1nc(CC(=O)[O-])cs1	ZINC000737385931	581950596	/nfs/dbraw/zinc/95/05/96/581950596.db2.gz	HQMRMTBKHQTXRQ-UHFFFAOYSA-N	-1	0	268.298	0.164	20	30		CCEDRM
C=CCNC(=O)C(C#N)=C([O-])c1ccnc(-n2ccnc2)c1	ZINC000773980257	581951149	/nfs/dbraw/zinc/95/11/49/581951149.db2.gz	PONOTDRECRTPSF-LBPRGKRZSA-N	-1	0	295.302	0.892	20	30		CCEDRM
N#Cc1ccc([O-])c(NC(=O)CN2CCCNC2=O)c1	ZINC000748002760	581959449	/nfs/dbraw/zinc/95/94/49/581959449.db2.gz	OTGDJKPBTPQTSX-UHFFFAOYSA-N	-1	0	274.280	0.618	20	30		CCEDRM
C[C@@H]1COCC[C@H]1C(=O)C(C#N)=C([O-])c1nccn1C	ZINC000774143698	581961458	/nfs/dbraw/zinc/96/14/58/581961458.db2.gz	VAMIUWFAWQPQOO-GMTAPVOTSA-N	-1	0	275.308	0.984	20	30		CCEDRM
Cc1nc(-c2nnn[n-]2)c(N=NC2CCCOC2)o1	ZINC000737467417	581962254	/nfs/dbraw/zinc/96/22/54/581962254.db2.gz	OBPSCLWULIQLOP-UHFFFAOYSA-N	-1	0	263.261	0.741	20	30		CCEDRM
N#CCCCS(=O)(=O)[N-]C(=O)CCCCc1c[nH]nn1	ZINC000774174357	581963261	/nfs/dbraw/zinc/96/32/61/581963261.db2.gz	QINFLXPVAONROK-UHFFFAOYSA-N	-1	0	299.356	0.267	20	30		CCEDRM
N#CC1(CS(=O)(=O)[N-]C(=O)c2nccs2)CCC1	ZINC000774212198	581965705	/nfs/dbraw/zinc/96/57/05/581965705.db2.gz	ZTNZBZWWQGTEQW-UHFFFAOYSA-N	-1	0	285.350	0.897	20	30		CCEDRM
C=CCS(=O)(=O)[N-]C(=O)c1ccnc(N(C)C)c1	ZINC000774248161	581966720	/nfs/dbraw/zinc/96/67/20/581966720.db2.gz	BKAYDVMDGRWOEG-UHFFFAOYSA-N	-1	0	269.326	0.393	20	30		CCEDRM
Cc1ncc(CO)c(/C=N\CCSCC(=O)[O-])c1O	ZINC000738885298	581969364	/nfs/dbraw/zinc/96/93/64/581969364.db2.gz	JJQQPZUONVFIAR-ACAGNQJTSA-N	-1	0	284.337	0.825	20	30		CCEDRM
C=CCNC(=O)C(=O)Nc1cccc(CC(=O)[O-])c1	ZINC000737532977	581974578	/nfs/dbraw/zinc/97/45/78/581974578.db2.gz	WQITZEGUOADJSG-UHFFFAOYSA-N	-1	0	262.265	0.554	20	30		CCEDRM
C=CCS(=O)(=O)[N-]C(=O)CCCCCNC(C)=O	ZINC000763033105	581979332	/nfs/dbraw/zinc/97/93/32/581979332.db2.gz	KKEUJWFJMNCRID-UHFFFAOYSA-N	-1	0	276.358	0.315	20	30		CCEDRM
COC(=O)CN(CC(=O)[O-])C(=O)c1sccc1C#N	ZINC000737613982	581991426	/nfs/dbraw/zinc/99/14/26/581991426.db2.gz	UPZSXKVWURCAFY-UHFFFAOYSA-N	-1	0	282.277	0.320	20	30		CCEDRM
C=CCOCC(=O)[N-]S(=O)(=O)c1ccc2c(c1)OCO2	ZINC000775308000	582017361	/nfs/dbraw/zinc/01/73/61/582017361.db2.gz	YFGRJLDCCXNPQO-UHFFFAOYSA-N	-1	0	299.304	0.423	20	30		CCEDRM
O=S1(=O)CC[C@@H](NN=Cc2cc(F)c([O-])c(F)c2)C1	ZINC000749849975	582025227	/nfs/dbraw/zinc/02/52/27/582025227.db2.gz	HWUANJNZHRYRAB-MRVPVSSYSA-N	-1	0	290.291	0.781	20	30		CCEDRM
Cc1[nH]c(C(=O)N2CCO[C@H](C#N)C2)c(C)c1C(=O)[O-]	ZINC000738162631	582025600	/nfs/dbraw/zinc/02/56/00/582025600.db2.gz	WYDHHUQNSVAFSE-SECBINFHSA-N	-1	0	277.280	0.694	20	30		CCEDRM
N#CC1(C(=O)N2CCO[C@@H](C(=O)[O-])C2)CCCCC1	ZINC000738423003	582047732	/nfs/dbraw/zinc/04/77/32/582047732.db2.gz	OSGMOPKDDBNECD-SNVBAGLBSA-N	-1	0	266.297	0.772	20	30		CCEDRM
N#Cc1ccc([C@@H](C(N)=O)N2CCN(C(=O)[O-])CC2)cc1	ZINC000738431332	582048890	/nfs/dbraw/zinc/04/88/90/582048890.db2.gz	WWUKDLFTLRULRE-LBPRGKRZSA-N	-1	0	288.307	0.380	20	30		CCEDRM
N#Cc1ccccc1/C=C\C(=O)N1CCO[C@H](C(=O)[O-])C1	ZINC000738434109	582048892	/nfs/dbraw/zinc/04/88/92/582048892.db2.gz	RXAHIDXYRFYUEK-SZZPACECSA-N	-1	0	286.287	0.883	20	30		CCEDRM
COc1ncccc1C(=O)[N-]S(=O)(=O)CCCC#N	ZINC000776118770	582052351	/nfs/dbraw/zinc/05/23/51/582052351.db2.gz	VDNOMXWLVHCGDV-UHFFFAOYSA-N	-1	0	283.309	0.454	20	30		CCEDRM
C#CCCN1CCN(C(=O)CCC(C)(C)NC(=O)[O-])CC1	ZINC000738457542	582052556	/nfs/dbraw/zinc/05/25/56/582052556.db2.gz	QDVRJAGFVJFEOC-UHFFFAOYSA-N	-1	0	295.383	0.980	20	30		CCEDRM
N#CCCCS(=O)(=O)[N-]C(=O)c1ccc(C(N)=O)cc1	ZINC000776122326	582052770	/nfs/dbraw/zinc/05/27/70/582052770.db2.gz	QHBHOABJCNQCJM-UHFFFAOYSA-N	-1	0	295.320	0.149	20	30		CCEDRM
C#Cc1ccc(C(=O)NC[C@H]2CCCN2C(=O)[O-])cn1	ZINC000738468032	582054335	/nfs/dbraw/zinc/05/43/35/582054335.db2.gz	QRKRKWOJQMSBCV-GFCCVEGCSA-N	-1	0	273.292	0.935	20	30		CCEDRM
C=C(C)CN(CC)C(=O)CN(C)[C@H](C)CNC(=O)[O-]	ZINC000738471113	582054371	/nfs/dbraw/zinc/05/43/71/582054371.db2.gz	POLNEAIKPMNKQW-LLVKDONJSA-N	-1	0	271.361	0.999	20	30		CCEDRM
C=CCNC(=O)[C@H](C)OC(=O)[C@H]1CCN(C(=O)[O-])C1	ZINC000738495195	582056052	/nfs/dbraw/zinc/05/60/52/582056052.db2.gz	JPBJDCOOKDPSLX-IUCAKERBSA-N	-1	0	270.285	0.220	20	30		CCEDRM
C[C@@H](C#N)C(=O)N1CCC[C@H](CN(C)C(=O)[O-])C1	ZINC000738596003	582064476	/nfs/dbraw/zinc/06/44/76/582064476.db2.gz	DNOAGOZNZJQAMB-VHSXEESVSA-N	-1	0	253.302	0.994	20	30		CCEDRM
C[C@H](C#N)CNC(=O)CN(C[C@H]1CCCO1)C(=O)[O-]	ZINC000738602739	582064823	/nfs/dbraw/zinc/06/48/23/582064823.db2.gz	NMBASUFWFPFGSO-NXEZZACHSA-N	-1	0	269.301	0.421	20	30		CCEDRM
C[C@H](C#N)CNC(=O)c1csc(CNC(=O)[O-])n1	ZINC000738603604	582064826	/nfs/dbraw/zinc/06/48/26/582064826.db2.gz	QFBDVSSQUBISPI-ZCFIWIBFSA-N	-1	0	268.298	0.800	20	30		CCEDRM
C[C@H](C(=O)N(C)CCC#N)N1CC[C@@H](NC(=O)[O-])C1	ZINC000738606059	582065488	/nfs/dbraw/zinc/06/54/88/582065488.db2.gz	ZXAMHWWJSYBYDE-NXEZZACHSA-N	-1	0	268.317	0.089	20	30		CCEDRM
C=C(Br)CNC(=O)CSc1n[nH]c(=O)[n-]1	ZINC000776341829	582068768	/nfs/dbraw/zinc/06/87/68/582068768.db2.gz	NGIZCPFXQDXLEZ-UHFFFAOYSA-N	-1	0	293.146	0.627	20	30		CCEDRM
O=[N+]([O-])c1ccc([O-])cc1C=NN[C@@H]1CCS(=O)(=O)C1	ZINC000751127090	582070535	/nfs/dbraw/zinc/07/05/35/582070535.db2.gz	HZPVXJYFEVUSKG-SECBINFHSA-N	-1	0	299.308	0.411	20	30		CCEDRM
C=CCCS(=O)(=O)N[C@@H](C(=O)[O-])C1CCOCC1	ZINC000776525371	582075968	/nfs/dbraw/zinc/07/59/68/582075968.db2.gz	KYHDSSZTDYHPEE-SNVBAGLBSA-N	-1	0	277.342	0.362	20	30		CCEDRM
CC(C)N(CCC(=O)N(CC#N)CC#N)C(=O)[O-]	ZINC000738838693	582082107	/nfs/dbraw/zinc/08/21/07/582082107.db2.gz	PSFGDANFBKIANJ-UHFFFAOYSA-N	-1	0	252.274	0.641	20	30		CCEDRM
C[C@H](OC(=O)[C@@H]1CCN(C(=O)[O-])C1)C(=O)N(C)CCC#N	ZINC000739045481	582099356	/nfs/dbraw/zinc/09/93/56/582099356.db2.gz	KWQQXIFEFULKTQ-VHSXEESVSA-N	-1	0	297.311	0.290	20	30		CCEDRM
N#CCN(CC(=O)[O-])C(=O)C1=NO[C@H](c2ccccc2)C1	ZINC000739075583	582101140	/nfs/dbraw/zinc/10/11/40/582101140.db2.gz	IUQUSVLTKAXVGK-LBPRGKRZSA-N	-1	0	287.275	0.941	20	30		CCEDRM
N#CCN(CC(=O)[O-])C(=O)[C@@H]1COc2ccccc2O1	ZINC000739077126	582101438	/nfs/dbraw/zinc/10/14/38/582101438.db2.gz	IJFOCORKUAGJNX-NSHDSACASA-N	-1	0	276.248	0.263	20	30		CCEDRM
N#CCN(CC(=O)[O-])C(=O)Cc1ccc(-n2cccn2)cc1	ZINC000739078773	582101594	/nfs/dbraw/zinc/10/15/94/582101594.db2.gz	MMUWBKGIWXFTMY-UHFFFAOYSA-N	-1	0	298.302	0.852	20	30		CCEDRM
N#CCN(CC(=O)[O-])C(=O)c1cccc(Cn2ccnc2)c1	ZINC000739088286	582102191	/nfs/dbraw/zinc/10/21/91/582102191.db2.gz	UJGCVPDCBQOKNT-UHFFFAOYSA-N	-1	0	298.302	0.982	20	30		CCEDRM
C=C(C)C[C@@H](NC(C)=O)C(=O)[N-]OCC(F)F	ZINC000832185238	613356454	/nfs/dbraw/zinc/35/64/54/613356454.db2.gz	FJELHXDEFHYJRS-MRVPVSSYSA-N	-1	0	250.245	0.770	20	30		CCEDRM
C[C@H](CC#N)NC(=O)CN(C[C@H]1CCCO1)C(=O)[O-]	ZINC000738895642	602869719	/nfs/dbraw/zinc/86/97/19/602869719.db2.gz	XYDPDQRFVQKVLT-NXEZZACHSA-N	-1	0	269.301	0.564	20	30		CCEDRM
CO[C@@H](C)CS(=O)(=O)[N-]C(=O)CC1(C#N)CC1	ZINC000816049660	617159154	/nfs/dbraw/zinc/15/91/54/617159154.db2.gz	QDZIQLFRNAGTTF-QMMMGPOBSA-N	-1	0	260.315	0.161	20	30		CCEDRM
N#Cc1ccc(F)c(CNC(=O)NCCC(=O)[O-])c1	ZINC000819100447	597226649	/nfs/dbraw/zinc/22/66/49/597226649.db2.gz	HUJCUFVXZYAFOD-UHFFFAOYSA-N	-1	0	265.244	0.971	20	30		CCEDRM
C[C@H](NC(=O)Nc1ccn(CCC#N)n1)C(=O)[O-]	ZINC000818039639	597320273	/nfs/dbraw/zinc/32/02/73/597320273.db2.gz	JRGWOAXVICLPPP-ZETCQYMHSA-N	-1	0	251.246	0.391	20	30		CCEDRM
N#CCCn1ccc(NC(=O)N2CCO[C@H](C(=O)[O-])C2)n1	ZINC000819090768	597411655	/nfs/dbraw/zinc/41/16/55/597411655.db2.gz	AUQHFBNCJCHSJI-VIFPVBQESA-N	-1	0	293.283	0.114	20	30		CCEDRM
COc1cc(C(C)=NNCC(=O)[O-])cc(OC)c1O	ZINC000842533526	617173708	/nfs/dbraw/zinc/17/37/08/617173708.db2.gz	NDMVYYGBEZECAR-UHFFFAOYSA-N	-1	0	268.269	0.808	20	30		CCEDRM
C[C@@](C#N)(CC(=O)[O-])C(=O)NCCc1cnccn1	ZINC000819842465	597609000	/nfs/dbraw/zinc/60/90/00/597609000.db2.gz	QLOAPVHKBQTHDL-LBPRGKRZSA-N	-1	0	262.269	0.140	20	30		CCEDRM
C[C@H](COC(=O)[C@](C)(C#N)CC(=O)[O-])CS(C)(=O)=O	ZINC000820102048	597617086	/nfs/dbraw/zinc/61/70/86/597617086.db2.gz	NZBANXJAQSDORE-KCJUWKMLSA-N	-1	0	291.325	0.215	20	30		CCEDRM
C[C@](C#N)(CC(=O)[O-])C(=O)OCCn1ccc([N+](=O)[O-])n1	ZINC000819875116	597621736	/nfs/dbraw/zinc/62/17/36/597621736.db2.gz	UEJDUXZKCGKNON-LLVKDONJSA-N	-1	0	296.239	0.339	20	30		CCEDRM
C[C@](C#N)(CC(=O)[O-])C(=O)N1CCC[C@@H](CCC(N)=O)C1	ZINC000819810968	597642540	/nfs/dbraw/zinc/64/25/40/597642540.db2.gz	JDTDYHOTRNQEPK-IINYFYTJSA-N	-1	0	295.339	0.495	20	30		CCEDRM
N#CC1(COC(=O)CSCC(=O)[O-])CCOCC1	ZINC000821320706	597650910	/nfs/dbraw/zinc/65/09/10/597650910.db2.gz	TXHJJUQIVHLDFR-UHFFFAOYSA-N	-1	0	273.310	0.668	20	30		CCEDRM
Cc1ocnc1CNC(=O)[C@](C)(C#N)CC(=O)[O-]	ZINC000821257133	597660735	/nfs/dbraw/zinc/66/07/35/597660735.db2.gz	JARJNAKDVUHBJV-NSHDSACASA-N	-1	0	251.242	0.604	20	30		CCEDRM
C[C@](C#N)(CC(=O)[O-])C(=O)N[C@@H](CO)CC(F)(F)F	ZINC000819822518	597662764	/nfs/dbraw/zinc/66/27/64/597662764.db2.gz	OPAFMIIUBUSDRQ-HZGVNTEJSA-N	-1	0	282.218	0.420	20	30		CCEDRM
N#Cc1ccc([C@H](O)C(=O)N2CCC[C@@H]2C(=O)[O-])cc1	ZINC000821330222	597670213	/nfs/dbraw/zinc/67/02/13/597670213.db2.gz	WXISFIBVPFYPFS-NEPJUHHUSA-N	-1	0	274.276	0.667	20	30		CCEDRM
C[C@@](C#N)(CC(=O)[O-])C(=O)N[C@@H]1CCCC2(C1)OCCO2	ZINC000819823442	597725964	/nfs/dbraw/zinc/72/59/64/597725964.db2.gz	UYOHCZRBIBFUAP-MFKMUULPSA-N	-1	0	296.323	0.793	20	30		CCEDRM
Cn1cc(C#N)c(NC(=O)NCCCCC(=O)[O-])n1	ZINC000821277934	598169368	/nfs/dbraw/zinc/16/93/68/598169368.db2.gz	XDKJPKDOVKSKRJ-UHFFFAOYSA-N	-1	0	265.273	0.668	20	30		CCEDRM
Cn1cc(C#N)c(NC(=O)N2CCC[C@@H]2C(=O)[O-])n1	ZINC000821277535	598207273	/nfs/dbraw/zinc/20/72/73/598207273.db2.gz	KNZQCHSMLUIWGL-MRVPVSSYSA-N	-1	0	263.257	0.373	20	30		CCEDRM
C[C@@](C#N)(CC(=O)[O-])C(=O)NCC(=O)NC1CCCCC1	ZINC000819832170	598225497	/nfs/dbraw/zinc/22/54/97/598225497.db2.gz	ABPDQFNKCIUPQZ-AWEZNQCLSA-N	-1	0	295.339	0.556	20	30		CCEDRM
C[C@](C#N)(CC(=O)[O-])C(=O)NC1CCN(CC#N)CC1	ZINC000819822439	598226891	/nfs/dbraw/zinc/22/68/91/598226891.db2.gz	NWQUXBJEPLNRSE-CYBMUJFWSA-N	-1	0	278.312	0.095	20	30		CCEDRM
C[C@](C#N)(CC(=O)[O-])C(=O)N1CCN(C2CC2)[C@@H](C#N)C1	ZINC000819821223	598227391	/nfs/dbraw/zinc/22/73/91/598227391.db2.gz	DNYYXCSHMYDWLE-SMDDNHRTSA-N	-1	0	290.323	0.190	20	30		CCEDRM
C[C@H](NC(=O)[C@](C)(C#N)CC(=O)[O-])[C@@H]1CCOC1	ZINC000820115132	598228744	/nfs/dbraw/zinc/22/87/44/598228744.db2.gz	UDOVKJWEYFNPBU-SBMIAAHKSA-N	-1	0	254.286	0.532	20	30		CCEDRM
C[C@@H]1[C@H](C)OCCN1C(=O)[C@](C)(C#N)CC(=O)[O-]	ZINC000820256834	598230650	/nfs/dbraw/zinc/23/06/50/598230650.db2.gz	LBEYRRXNRVCOBV-PTRXPTGYSA-N	-1	0	254.286	0.627	20	30		CCEDRM
C#CCO[C@H](C)C(=O)[N-]S(=O)(=O)CC1CCC1	ZINC000835249672	613002031	/nfs/dbraw/zinc/00/20/31/613002031.db2.gz	UHLPUCZFMBVWRQ-SECBINFHSA-N	-1	0	259.327	0.271	20	30		CCEDRM
C#CC(=O)N[C@@H](CC(=O)[O-])c1ccc(OC)c(OC)c1	ZINC000833361137	612945656	/nfs/dbraw/zinc/94/56/56/612945656.db2.gz	XCYKZZHWRRNYOO-JTQLQIEISA-N	-1	0	277.276	0.969	20	30		CCEDRM
C#CCNC(=O)Cn1nc(C(=O)[O-])c2c1CCCC2	ZINC000833365685	612946185	/nfs/dbraw/zinc/94/61/85/612946185.db2.gz	PNVAULRSEMTFSV-UHFFFAOYSA-N	-1	0	261.281	0.210	20	30		CCEDRM
N#Cc1ccc(OCCN2CCO[C@@H](C(=O)[O-])C2)cc1	ZINC000043704702	599977650	/nfs/dbraw/zinc/97/76/50/599977650.db2.gz	GLAHSACQWQXWMU-CYBMUJFWSA-N	-1	0	276.292	0.722	20	30		CCEDRM
N#Cc1cc(F)ccc1CN1C[C@H](O)C[C@H]1C(=O)[O-]	ZINC000229089503	600141346	/nfs/dbraw/zinc/14/13/46/600141346.db2.gz	GTMSKLXRKIYUEA-NEPJUHHUSA-N	-1	0	264.256	0.717	20	30		CCEDRM
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C#CCN1CCN(C(=O)c2ccc(C(=O)[O-])cc2)CC1	ZINC000383878676	600592464	/nfs/dbraw/zinc/59/24/64/600592464.db2.gz	VYLOQOYAAXKSSP-UHFFFAOYSA-N	-1	0	272.304	0.776	20	30		CCEDRM
C#CCNC(=O)CNc1ccc(OCC(=O)[O-])cc1C	ZINC000825619329	601248170	/nfs/dbraw/zinc/24/81/70/601248170.db2.gz	KPRUNRCXZMKZBT-UHFFFAOYSA-N	-1	0	276.292	0.620	20	30		CCEDRM
Cn1cc(C#N)cc1C(=O)N1CCC[C@@H](C(=O)[O-])C1	ZINC000833040499	601263219	/nfs/dbraw/zinc/26/32/19/601263219.db2.gz	KCAQHLLWEOOGAM-SNVBAGLBSA-N	-1	0	261.281	0.834	20	30		CCEDRM
N#Cc1cc([N+](=O)[O-])cnc1N1CC[C@@](F)(C(=O)[O-])C1	ZINC000833070381	601379590	/nfs/dbraw/zinc/37/95/90/601379590.db2.gz	BVABFMPIJRHFFE-NSHDSACASA-N	-1	0	280.215	0.864	20	30		CCEDRM
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C[C@@H](CS(=O)(=O)N(CCC#N)CCC#N)C(=O)[O-]	ZINC000827534441	601791814	/nfs/dbraw/zinc/79/18/14/601791814.db2.gz	XJIGDOLHOOFWJO-VIFPVBQESA-N	-1	0	273.314	0.166	20	30		CCEDRM
Cc1cc(OCC(=O)[O-])ccc1NCC(=O)NCCC#N	ZINC000832902435	601908163	/nfs/dbraw/zinc/90/81/63/601908163.db2.gz	WBLZHULNGXKMSG-UHFFFAOYSA-N	-1	0	291.307	0.900	20	30		CCEDRM
C[C@@H](CC(=O)[O-])C(=O)NCC1CCN(CC#N)CC1	ZINC000827293416	602171086	/nfs/dbraw/zinc/17/10/86/602171086.db2.gz	XISNHYAILYIGGJ-JTQLQIEISA-N	-1	0	267.329	0.449	20	30		CCEDRM
C[C@@H](CC(=O)[O-])C(=O)[C@H](C#N)C(=O)Nc1ccccn1	ZINC000827241805	602184838	/nfs/dbraw/zinc/18/48/38/602184838.db2.gz	YOMCVYBFDHVTFQ-IUCAKERBSA-N	-1	0	275.264	0.840	20	30		CCEDRM
N#Cc1cc(CN2CCNC(=O)[C@H]2CC(=O)[O-])ccc1F	ZINC000300454652	602235069	/nfs/dbraw/zinc/23/50/69/602235069.db2.gz	SNFSMRYYVLXIHP-GFCCVEGCSA-N	-1	0	291.282	0.472	20	30		CCEDRM
C#CCSCCNC(=O)[C@@]1(F)CCN(C(=O)[O-])C1	ZINC000823466696	613017587	/nfs/dbraw/zinc/01/75/87/613017587.db2.gz	GYULEFRILKVOAS-LLVKDONJSA-N	-1	0	274.317	0.561	20	30		CCEDRM
C[C@@H](CC(=O)[O-])C(=O)O[C@@H](C(N)=O)c1ccc(C#N)cc1	ZINC000827325091	602279580	/nfs/dbraw/zinc/27/95/80/602279580.db2.gz	OYAIKFRAQOJWEW-QPUJVOFHSA-N	-1	0	290.275	0.739	20	30		CCEDRM
Cc1cc(=O)[nH]c(Cn2cc(C(=O)[O-])cc(C#N)c2=O)n1	ZINC000832899382	602310925	/nfs/dbraw/zinc/31/09/25/602310925.db2.gz	NUCLUHQVYZRITM-UHFFFAOYSA-N	-1	0	286.247	0.271	20	30		CCEDRM
Cn1cc(NC(=O)N2CCO[C@H](C#N)C2)cc1C(=O)[O-]	ZINC000833048937	602379404	/nfs/dbraw/zinc/37/94/04/602379404.db2.gz	QMXKQDMLTPBZDB-SECBINFHSA-N	-1	0	278.268	0.480	20	30		CCEDRM
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N#CCCn1ccc(NC(=O)NCCCNC(=O)[O-])n1	ZINC000831097261	603335498	/nfs/dbraw/zinc/33/54/98/603335498.db2.gz	GUHUFAVFEXSWOA-UHFFFAOYSA-N	-1	0	280.288	0.576	20	30		CCEDRM
N#Cc1ccc(COC(=O)COC2CN(C(=O)[O-])C2)cc1	ZINC000831126400	603443555	/nfs/dbraw/zinc/44/35/55/603443555.db2.gz	CSJLOETYWCHYJF-UHFFFAOYSA-N	-1	0	290.275	0.980	20	30		CCEDRM
Cn1cc(C#N)cc1C(=O)NCCCNC(=O)[O-]	ZINC000830988518	603535779	/nfs/dbraw/zinc/53/57/79/603535779.db2.gz	HJNLOJAGVBAGDQ-UHFFFAOYSA-N	-1	0	250.258	0.284	20	30		CCEDRM
Cc1nc(CC(=O)N2CCN(C(=O)[O-])C[C@@H]2C#N)cs1	ZINC000830737579	603590756	/nfs/dbraw/zinc/59/07/56/603590756.db2.gz	KFJRMNZXLWQNCB-JTQLQIEISA-N	-1	0	294.336	0.708	20	30		CCEDRM
N#C[C@@H](OC(=O)CN(C[C@@H]1CCCO1)C(=O)[O-])C1CC1	ZINC000831070288	603615907	/nfs/dbraw/zinc/61/59/07/603615907.db2.gz	IIEMJMFMGLGJMV-WDEREUQCSA-N	-1	0	282.296	0.991	20	30		CCEDRM
CC(C)N(CCC(=O)N1CCN(CC#N)CC1)C(=O)[O-]	ZINC000824336270	603626629	/nfs/dbraw/zinc/62/66/29/603626629.db2.gz	ODXRVEYXZMENAD-UHFFFAOYSA-N	-1	0	282.344	0.433	20	30		CCEDRM
N#CC1CCN(C(=O)CC2CN(C(=O)[O-])C2)CC1	ZINC000831076626	603709660	/nfs/dbraw/zinc/70/96/60/603709660.db2.gz	PZAQLQPUBAAMEH-UHFFFAOYSA-N	-1	0	251.286	0.748	20	30		CCEDRM
Cc1cnc(CN2CCN(C(=O)[O-])C[C@H]2C#N)cn1	ZINC000830631000	603725554	/nfs/dbraw/zinc/72/55/54/603725554.db2.gz	XQQQNBKWZCNWDF-LLVKDONJSA-N	-1	0	261.285	0.473	20	30		CCEDRM
Cc1noc(CN2CCN(C(=O)[O-])C[C@@H]2C#N)n1	ZINC000830925423	603725596	/nfs/dbraw/zinc/72/55/96/603725596.db2.gz	VEIAFHYZYZNAAH-QMMMGPOBSA-N	-1	0	251.246	0.066	20	30		CCEDRM
Cn1ccnc(N=NC2CCC[C@H]2CNC(=O)[O-])c1=O	ZINC000831031920	603763435	/nfs/dbraw/zinc/76/34/35/603763435.db2.gz	YESQNAMONGTKSC-QMMMGPOBSA-N	-1	0	279.300	0.616	20	30		CCEDRM
N#Cc1c[nH]c(C(=O)N[C@@H]2CCCN(C(=O)[O-])C2)c1	ZINC000831114722	603896895	/nfs/dbraw/zinc/89/68/95/603896895.db2.gz	SBIBXUIWTDSEOE-SECBINFHSA-N	-1	0	262.269	0.759	20	30		CCEDRM
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C[C@@H]1CCC[C@](C#N)(NC(=O)COC2CN(C(=O)[O-])C2)C1	ZINC000825881096	604010944	/nfs/dbraw/zinc/01/09/44/604010944.db2.gz	SOODSESEUJPLOU-YGRLFVJLSA-N	-1	0	295.339	0.954	20	30		CCEDRM
N#C[C@@H]1CCC[C@H]1NC(=O)[C@@H]1CSCN1C(=O)[O-]	ZINC000831077194	604029839	/nfs/dbraw/zinc/02/98/39/604029839.db2.gz	XELHPJJWZORJNS-YIZRAAEISA-N	-1	0	269.326	0.848	20	30		CCEDRM
N#C[C@@H](NC(=O)COCCNC(=O)[O-])C1CCCCC1	ZINC000831070485	604060489	/nfs/dbraw/zinc/06/04/89/604060489.db2.gz	LSXXAFSBPUBHNH-LLVKDONJSA-N	-1	0	283.328	0.859	20	30		CCEDRM
N#C[C@H]1CN(C(=O)[O-])CCN1C(=O)c1ccc[nH]c1=O	ZINC000831091525	604068077	/nfs/dbraw/zinc/06/80/77/604068077.db2.gz	GYIIPWCKUYZYME-QMMMGPOBSA-N	-1	0	276.252	0.115	20	30		CCEDRM
N#C[C@@H]1CN(C(=O)[O-])CCN1C(=O)CC1CCC1	ZINC000831075967	604078446	/nfs/dbraw/zinc/07/84/46/604078446.db2.gz	FCKHOPMIMLBCQJ-SNVBAGLBSA-N	-1	0	251.286	0.891	20	30		CCEDRM
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N#CCN1CCC(NC(=O)CC2(NC(=O)[O-])CCC2)CC1	ZINC000831102781	604159386	/nfs/dbraw/zinc/15/93/86/604159386.db2.gz	UKASSKJWDXMRQJ-UHFFFAOYSA-N	-1	0	294.355	0.671	20	30		CCEDRM
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N#C[C@H]1CN(C(=O)[O-])CCN1C(=O)Cc1ccco1	ZINC000831082506	604275903	/nfs/dbraw/zinc/27/59/03/604275903.db2.gz	MNFKCLGSEPLQTR-VIFPVBQESA-N	-1	0	263.253	0.536	20	30		CCEDRM
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N#Cc1ccnc(NC2CN(C(=O)[O-])C2)c1[N+](=O)[O-]	ZINC000831157209	604637964	/nfs/dbraw/zinc/63/79/64/604637964.db2.gz	RTWOJQQQJNOLKI-UHFFFAOYSA-N	-1	0	263.213	0.636	20	30		CCEDRM
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C#CCCCCC(=O)N[C@H](CC(=O)OC)C(=O)[O-]	ZINC000379291045	605004636	/nfs/dbraw/zinc/00/46/36/605004636.db2.gz	JXBBKRKFVJRWGT-SECBINFHSA-N	-1	0	255.270	0.313	20	30		CCEDRM
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C[C@@H](NC(=O)[O-])[C@@H]1CN(c2cnccc2C#N)CCO1	ZINC000833820524	605651304	/nfs/dbraw/zinc/65/13/04/605651304.db2.gz	RWUSCMWBEXJHGI-SKDRFNHKSA-N	-1	0	276.296	0.815	20	30		CCEDRM
N#C[C@@H]1COCCN1C(=O)c1ccc(NC(=O)[O-])cc1O	ZINC000833968097	605653438	/nfs/dbraw/zinc/65/34/38/605653438.db2.gz	UIENTQHDQJSRDS-SECBINFHSA-N	-1	0	291.263	0.847	20	30		CCEDRM
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Cc1onc(CC(=O)N2CC[C@H](N(C)C(=O)[O-])C2)c1C#N	ZINC000833934808	605693208	/nfs/dbraw/zinc/69/32/08/605693208.db2.gz	CCHVDIQXBIKMEL-VIFPVBQESA-N	-1	0	292.295	0.608	20	30		CCEDRM
Cc1onc(CC(=O)NCC[C@@H](C)NC(=O)[O-])c1C#N	ZINC000833936998	605695822	/nfs/dbraw/zinc/69/58/22/605695822.db2.gz	TUJBJJOAVRCDIQ-SSDOTTSWSA-N	-1	0	280.284	0.560	20	30		CCEDRM
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N#CCSCC(=O)N(C1CC1)[C@H]1CCN(C(=O)[O-])C1	ZINC000831109760	605793356	/nfs/dbraw/zinc/79/33/56/605793356.db2.gz	SRBSUQPXCRZATQ-JTQLQIEISA-N	-1	0	283.353	0.986	20	30		CCEDRM
N#Cc1ccc(C(=O)N[C@@H]2CCCN(C(=O)[O-])C2)[nH]1	ZINC000833974830	605867065	/nfs/dbraw/zinc/86/70/65/605867065.db2.gz	YBTOKXIMNSAFFM-SECBINFHSA-N	-1	0	262.269	0.759	20	30		CCEDRM
N#CCC1CCN(C(=O)NCCCNC(=O)[O-])CC1	ZINC000833969282	605909298	/nfs/dbraw/zinc/90/92/98/605909298.db2.gz	ULWBSQXIKGTCML-UHFFFAOYSA-N	-1	0	268.317	0.979	20	30		CCEDRM
N#C[C@H]1COCCN1C(=O)[C@@H]1CC12CCN(C(=O)[O-])CC2	ZINC000833967205	605936048	/nfs/dbraw/zinc/93/60/48/605936048.db2.gz	QGQNBXJNVLHTKJ-QWRGUYRKSA-N	-1	0	293.323	0.517	20	30		CCEDRM
N#C[C@@H]1CCC[C@@H]1NC(=O)CN(C(=O)[O-])C1CC1	ZINC000833964059	605985007	/nfs/dbraw/zinc/98/50/07/605985007.db2.gz	YQXUEQFHGJYZSR-WPRPVWTQSA-N	-1	0	251.286	0.937	20	30		CCEDRM
N#CC1(COC(=O)COC2CN(C(=O)[O-])C2)CC1	ZINC000833965023	606001664	/nfs/dbraw/zinc/00/16/64/606001664.db2.gz	XQRHLZZEGRKRIC-UHFFFAOYSA-N	-1	0	254.242	0.212	20	30		CCEDRM
N#C[C@]1(NC(=O)[C@H](CC(F)F)NC(=O)[O-])CCSC1	ZINC000833964924	606030192	/nfs/dbraw/zinc/03/01/92/606030192.db2.gz	UPLCHXVQMIOJFU-QUBYGPBYSA-N	-1	0	293.295	0.793	20	30		CCEDRM
C#CCCS(=O)(=O)[N-]C(=O)CCc1c(C)noc1C	ZINC000810780195	613052772	/nfs/dbraw/zinc/05/27/72/613052772.db2.gz	SSIMWOBLNNVBQA-UHFFFAOYSA-N	-1	0	284.337	0.693	20	30		CCEDRM
C#CCCS(=O)(=O)[N-]C(=O)CNC(=O)CC(C)(C)C	ZINC000798203353	613052834	/nfs/dbraw/zinc/05/28/34/613052834.db2.gz	YYWJOHYMVDGHNB-UHFFFAOYSA-N	-1	0	288.369	0.008	20	30		CCEDRM
C#CCCS(=O)(=O)[N-]C(=O)CCCOc1cccnc1	ZINC000810781946	613052690	/nfs/dbraw/zinc/05/26/90/613052690.db2.gz	IXSIODBNCHYKRY-UHFFFAOYSA-N	-1	0	296.348	0.710	20	30		CCEDRM
C#CCCS(=O)(=O)[N-]C(=O)[C@@H]1CCC(=O)C[C@H]1C	ZINC000798202497	613053239	/nfs/dbraw/zinc/05/32/39/613053239.db2.gz	GXAAYEJNYRORPQ-MWLCHTKSSA-N	-1	0	271.338	0.461	20	30		CCEDRM
C#CCCS(=O)(=O)[N-]C(=O)COc1ccccc1C	ZINC000810780277	613053010	/nfs/dbraw/zinc/05/30/10/613053010.db2.gz	WUSXOGDTCUCVBA-UHFFFAOYSA-N	-1	0	281.333	0.843	20	30		CCEDRM
Cc1nc(-c2nnn[n-]2)c(N=NCc2c[nH]cn2)o1	ZINC000826322862	607887153	/nfs/dbraw/zinc/88/71/53/607887153.db2.gz	DXOSQSTWHQSGIP-UHFFFAOYSA-N	-1	0	259.233	0.332	20	30		CCEDRM
C#CCN(CC#CC)C(=O)NC1CCN(C(=O)[O-])CC1	ZINC000823451323	613099686	/nfs/dbraw/zinc/09/96/86/613099686.db2.gz	SRZUMDZRWMLQJA-UHFFFAOYSA-N	-1	0	277.324	0.797	20	30		CCEDRM
CS/C=C/C(=O)[N-]S(=O)(=O)c1cncc(C#N)c1	ZINC000813981928	617200058	/nfs/dbraw/zinc/20/00/58/617200058.db2.gz	NAVJBISAUCSHNR-NSCUHMNNSA-N	-1	0	283.334	0.635	20	30		CCEDRM
C#CCC(C)(C)C(=O)[N-]S(=O)(=O)CCOCC	ZINC000810578864	612965618	/nfs/dbraw/zinc/96/56/18/612965618.db2.gz	UCAZLTVMAYRNIR-UHFFFAOYSA-N	-1	0	261.343	0.518	20	30		CCEDRM
CC(C)OC(=O)[C@@H](C)CNC(=O)[C@@](C)(C#N)CC(=O)[O-]	ZINC000820030037	613995043	/nfs/dbraw/zinc/99/50/43/613995043.db2.gz	YCPMBDSQRMRMGA-TVQRCGJNSA-N	-1	0	284.312	0.695	20	30		CCEDRM
CC(C)C[C@@H](O)CNC(=O)[C@](C)(C#N)CC(=O)[O-]	ZINC000819976754	614197481	/nfs/dbraw/zinc/19/74/81/614197481.db2.gz	AISYCQDLSRUVMD-SKDRFNHKSA-N	-1	0	256.302	0.514	20	30		CCEDRM
CC(C)C[C@H](NC(=O)CNc1ccc(C#N)cn1)C(=O)[O-]	ZINC000833493375	614219516	/nfs/dbraw/zinc/21/95/16/614219516.db2.gz	YZRSJURZJSDLSA-NSHDSACASA-N	-1	0	290.323	0.981	20	30		CCEDRM
CC(C)(C)C(=O)C(=O)N1CCN(C(=O)[O-])C[C@@H]1C#N	ZINC000823748749	614316689	/nfs/dbraw/zinc/31/66/89/614316689.db2.gz	CUUJHXWKJQBATC-QMMMGPOBSA-N	-1	0	267.285	0.316	20	30		CCEDRM
COc1ccc(S(=O)(=O)[N-]C(=O)[C@H](C)CC#N)cn1	ZINC000850987447	617277669	/nfs/dbraw/zinc/27/76/69/617277669.db2.gz	FGNUEIOPZGIINY-MRVPVSSYSA-N	-1	0	283.309	0.445	20	30		CCEDRM
C[C@@H](C#N)OCCN1[N-]S(=O)(=O)c2ccccc2C1=O	ZINC000801656189	617297580	/nfs/dbraw/zinc/29/75/80/617297580.db2.gz	XOFJSHOJWWULSQ-VIFPVBQESA-N	-1	0	295.320	0.264	20	30		CCEDRM
C#CCC(C)(C)C(=O)[N-]S(=O)(=O)CCCC#N	ZINC000810657034	612965650	/nfs/dbraw/zinc/96/56/50/612965650.db2.gz	RMNWIOLROZVNNI-UHFFFAOYSA-N	-1	0	256.327	0.786	20	30		CCEDRM
C#CCCCC(=O)N(CC(=O)[O-])C1CCOCC1	ZINC000909024563	612974320	/nfs/dbraw/zinc/97/43/20/612974320.db2.gz	TXUDKLMJOGVDEC-UHFFFAOYSA-N	-1	0	253.298	0.882	20	30		CCEDRM
C#CCCCC(=O)N(C)CC(=O)N1CCC[C@H](C(=O)[O-])C1	ZINC000909430228	612974342	/nfs/dbraw/zinc/97/43/42/612974342.db2.gz	DMDWSVCPOGLYCU-LBPRGKRZSA-N	-1	0	294.351	0.572	20	30		CCEDRM
C#CCCCCNC(=O)N[C@H](C(=O)[O-])C1CCOCC1	ZINC000797725157	612978189	/nfs/dbraw/zinc/97/81/89/612978189.db2.gz	VKKFJEGBLMDGGG-LBPRGKRZSA-N	-1	0	282.340	0.969	20	30		CCEDRM
C#CCCCNC(=O)C(=O)N1CC[C@@H](C)[C@@H](C(=O)[O-])C1	ZINC000843257523	612979527	/nfs/dbraw/zinc/97/95/27/612979527.db2.gz	QVXNKJVIMFXWHM-MNOVXSKESA-N	-1	0	280.324	0.085	20	30		CCEDRM
C#CCOCCC(=O)[N-]S(=O)(=O)c1cnccc1C	ZINC000842394297	612980047	/nfs/dbraw/zinc/98/00/47/612980047.db2.gz	JJLORSZUTAYNKJ-UHFFFAOYSA-N	-1	0	282.321	0.235	20	30		CCEDRM
C#CCOCCNC(=O)NCCc1cccc(C(=O)[O-])c1	ZINC000833366352	612987051	/nfs/dbraw/zinc/98/70/51/612987051.db2.gz	SJFLHXRSOPAGSP-UHFFFAOYSA-N	-1	0	290.319	0.876	20	30		CCEDRM
C#CCOCCNC(=O)c1ccc2oc(=O)nc-2[n-]1	ZINC000832102192	612988969	/nfs/dbraw/zinc/98/89/69/612988969.db2.gz	AXTMITBYNBICJG-UHFFFAOYSA-N	-1	0	261.237	0.308	20	30		CCEDRM
C#CCO[N-]C(=O)C1=NN(c2ccccc2)C(=O)CC1	ZINC000812785873	612991912	/nfs/dbraw/zinc/99/19/12/612991912.db2.gz	OKBYQONYETZBPP-UHFFFAOYSA-N	-1	0	271.276	0.850	20	30		CCEDRM
C#CCO[N-]C(=O)CNC(=O)c1ccc([N+](=O)[O-])c(C)c1	ZINC000812786698	612992163	/nfs/dbraw/zinc/99/21/63/612992163.db2.gz	SKCVDUKFTYPEJN-UHFFFAOYSA-N	-1	0	291.263	0.314	20	30		CCEDRM
C#CCO[N-]C(=O)[C@@H]1CCN(c2ccc(F)c(F)c2)C1=O	ZINC000812783334	612992674	/nfs/dbraw/zinc/99/26/74/612992674.db2.gz	KDFRXULFWDRTJW-JTQLQIEISA-N	-1	0	294.257	0.999	20	30		CCEDRM
C#CCO[N-]C(=O)[C@]1(NC(=O)OC(C)(C)C)CC1(F)F	ZINC000869253452	612993185	/nfs/dbraw/zinc/99/31/85/612993185.db2.gz	FPQHTJXGAWAUGS-LLVKDONJSA-N	-1	0	290.266	0.970	20	30		CCEDRM
C#CCO[C@@H](C)C(=O)N(C)[C@@H](CC(C)C)C(=O)[O-]	ZINC000909855760	612993609	/nfs/dbraw/zinc/99/36/09/612993609.db2.gz	TUJLGFIBGWXPSE-QWRGUYRKSA-N	-1	0	255.314	0.982	20	30		CCEDRM
C#CCO[C@@H](C)C(=O)N[C@@H]1C[C@H]2C[C@@]2(C(=O)[O-])C1	ZINC000910342392	612997304	/nfs/dbraw/zinc/99/73/04/612997304.db2.gz	MRTLYXPMFOTLDP-QISWUMQESA-N	-1	0	251.282	0.394	20	30		CCEDRM
C#CCO[C@@H](C)C(=O)N[C@]1(CC(=O)[O-])CCCOC1	ZINC000909694141	612997694	/nfs/dbraw/zinc/99/76/94/612997694.db2.gz	SWHZMZRRWYTFBB-GWCFXTLKSA-N	-1	0	269.297	0.165	20	30		CCEDRM
C#CCO[C@H](C)C(=O)[N-]S(=O)(=O)Cc1ccccc1	ZINC000835039187	613002096	/nfs/dbraw/zinc/00/20/96/613002096.db2.gz	XMDAVBBQEKYKTH-LLVKDONJSA-N	-1	0	281.333	0.671	20	30		CCEDRM
C#CCO[C@H](C)C(=O)[N-]S(=O)(=O)CCC(C)(C)OC	ZINC000835356889	613002225	/nfs/dbraw/zinc/00/22/25/613002225.db2.gz	PCLWWHHHYLVZRS-SNVBAGLBSA-N	-1	0	291.369	0.286	20	30		CCEDRM
C#CCSCC(=O)NCc1cc(=O)[nH]c(SC)n1	ZINC000898523895	613012675	/nfs/dbraw/zinc/01/26/75/613012675.db2.gz	CJKJPCHRYLYKDD-UHFFFAOYSA-N	-1	0	283.378	0.887	20	30		CCEDRM
C#CCSCCNC(=O)[C@](C)(C#N)CC(=O)[O-]	ZINC000819706208	613017896	/nfs/dbraw/zinc/01/78/96/613017896.db2.gz	QZKZBXBJHMBUNZ-NSHDSACASA-N	-1	0	254.311	0.474	20	30		CCEDRM
C#CC[C@@H](CO)NC(=O)c1cc(F)cc(F)c1[O-]	ZINC000936064244	613029014	/nfs/dbraw/zinc/02/90/14/613029014.db2.gz	ZNOKTUPFNSCBHJ-QMMMGPOBSA-N	-1	0	255.220	0.784	20	30		CCEDRM
C#CC[C@@H](NC(=O)CN(C)C(=O)OC(C)(C)C)C(=O)[O-]	ZINC000910053474	613039706	/nfs/dbraw/zinc/03/97/06/613039706.db2.gz	ABOIEPSFUFVLCW-SECBINFHSA-N	-1	0	284.312	0.446	20	30		CCEDRM
C#CC[C@@H](NC(=O)COCc1ccnc(OC)c1)C(=O)[O-]	ZINC000910050034	613040025	/nfs/dbraw/zinc/04/00/25/613040025.db2.gz	CIYMWGLYINMLNE-LLVKDONJSA-N	-1	0	292.291	0.200	20	30		CCEDRM
C#CC[C@@H](NC(=O)C[C@H]1Cc2ccccc2O1)C(=O)[O-]	ZINC000910049293	613040071	/nfs/dbraw/zinc/04/00/71/613040071.db2.gz	VDWFHFZKBVSVDF-VXGBXAGGSA-N	-1	0	273.288	0.973	20	30		CCEDRM
C#CC[C@@H](NC(=O)Cn1cc(Cl)cn1)C(=O)[O-]	ZINC000910051442	613040314	/nfs/dbraw/zinc/04/03/14/613040314.db2.gz	VHWRBMSWGHPXAT-MRVPVSSYSA-N	-1	0	255.661	0.129	20	30		CCEDRM
C#CC[C@@H](NC(=O)[C@@]1(OC)CCSC1)C(=O)[O-]	ZINC000910049510	613041037	/nfs/dbraw/zinc/04/10/37/613041037.db2.gz	WFRIOAOAZPWUJG-LDYMZIIASA-N	-1	0	257.311	0.101	20	30		CCEDRM
C#CC[C@@H](NC(=O)c1cc(C(F)F)n(C)n1)C(=O)[O-]	ZINC000907719443	613041479	/nfs/dbraw/zinc/04/14/79/613041479.db2.gz	OCRMZGDPQCBGRV-ZCFIWIBFSA-N	-1	0	271.223	0.564	20	30		CCEDRM
C#CC[C@@H](NC(=O)c1cn2c(n1)CC[C@H](C)C2)C(=O)[O-]	ZINC000910049920	613042197	/nfs/dbraw/zinc/04/21/97/613042197.db2.gz	ACSYZJOVLDSXBB-VHSXEESVSA-N	-1	0	275.308	0.672	20	30		CCEDRM
C#CCCNC(=O)N1C[C@@H](CNC(=O)[O-])C[C@@H]1C	ZINC000833787171	613047085	/nfs/dbraw/zinc/04/70/85/613047085.db2.gz	IADGEIYDSCTFRK-VHSXEESVSA-N	-1	0	253.302	0.697	20	30		CCEDRM
C#CCCNC(=O)N1CC[C@H](NC(=O)[O-])C[C@H]1C	ZINC000823444765	613047118	/nfs/dbraw/zinc/04/71/18/613047118.db2.gz	PZDLDNYYEHGGLV-ZJUUUORDSA-N	-1	0	253.302	0.840	20	30		CCEDRM
C#CCCS(=O)(=O)[N-]C(=O)C1Cc2ccccc2C1	ZINC000810780817	613052752	/nfs/dbraw/zinc/05/27/52/613052752.db2.gz	SBJDZHPOUVGJOL-UHFFFAOYSA-N	-1	0	277.345	0.871	20	30		CCEDRM
C#CCCS(=O)(=O)[N-]C(=O)[C@@H]1C[C@]1(C)Br	ZINC000860722341	613053116	/nfs/dbraw/zinc/05/31/16/613053116.db2.gz	WQDJIBCAAZZUGI-CBAPKCEASA-N	-1	0	294.170	0.629	20	30		CCEDRM
C#CCCS(=O)(=O)[N-]C(=O)c1c(C)cc(C)[nH]c1=O	ZINC000810783563	613053332	/nfs/dbraw/zinc/05/33/32/613053332.db2.gz	VBNHKPNMJHARJP-UHFFFAOYSA-N	-1	0	282.321	0.487	20	30		CCEDRM
C#CCCS(=O)(=O)[N-]C(=O)c1cc(C)sn1	ZINC000810782628	613053563	/nfs/dbraw/zinc/05/35/63/613053563.db2.gz	QHDVZXPOFVHHOP-UHFFFAOYSA-N	-1	0	258.324	0.534	20	30		CCEDRM
C#CCCS(=O)(=O)[N-]C(=O)c1nn(C)cc1Cl	ZINC000860721876	613053932	/nfs/dbraw/zinc/05/39/32/613053932.db2.gz	NDQGDHTWBCCIHB-UHFFFAOYSA-N	-1	0	275.717	0.156	20	30		CCEDRM
C#CC[C@H](CO)NC(=O)c1ccc([O-])c([N+](=O)[O-])c1	ZINC000820069174	613057703	/nfs/dbraw/zinc/05/77/03/613057703.db2.gz	BQVHVAVRHXCLML-SECBINFHSA-N	-1	0	264.237	0.414	20	30		CCEDRM
C#CC[C@H](CO)NC(=O)c1ccc2oc(=O)nc-2[n-]1	ZINC000854542670	613057825	/nfs/dbraw/zinc/05/78/25/613057825.db2.gz	SBBSVMHCSYZTIM-SSDOTTSWSA-N	-1	0	261.237	0.042	20	30		CCEDRM
COc1ccccc1CC(=O)N[C@H]1CCCN(O)C1=O	ZINC000816759041	617314273	/nfs/dbraw/zinc/31/42/73/617314273.db2.gz	CXPFXBBBGDTFHA-NSHDSACASA-N	-1	0	278.308	0.734	20	30		CCEDRM
C#CC[C@H](NC(=O)C[C@H](C)NC(=O)C1CCCC1)C(=O)[O-]	ZINC000910054394	613068067	/nfs/dbraw/zinc/06/80/67/613068067.db2.gz	NBQMKLQKQRRPSQ-JQWIXIFHSA-N	-1	0	294.351	0.664	20	30		CCEDRM
C#CC[C@H](NC(=O)[C@@H]1CCCN1C(=O)C(C)C)C(=O)[O-]	ZINC000910053059	613068687	/nfs/dbraw/zinc/06/86/87/613068687.db2.gz	NSEWLXKUKXSGOL-QWRGUYRKSA-N	-1	0	280.324	0.226	20	30		CCEDRM
C#CC[C@H](NC(=O)[C@@H]1CSCCS1)C(=O)[O-]	ZINC000910051991	613068985	/nfs/dbraw/zinc/06/89/85/613068985.db2.gz	KOVXIZZHZQGUBH-YUMQZZPRSA-N	-1	0	259.352	0.428	20	30		CCEDRM
C#CC[C@H](NC(=O)[C@H]1CCc2nc[nH]c2C1)C(=O)[O-]	ZINC000910049054	613069673	/nfs/dbraw/zinc/06/96/73/613069673.db2.gz	RYOPHTFZAAGSHO-WPRPVWTQSA-N	-1	0	261.281	0.107	20	30		CCEDRM
C#CC[C@H](NC(=O)[C@](C)(O)Cc1ccccc1)C(=O)[O-]	ZINC000910051540	613069710	/nfs/dbraw/zinc/06/97/10/613069710.db2.gz	XRYRLZCKZMNCLW-SWLSCSKDSA-N	-1	0	275.304	0.573	20	30		CCEDRM
C#CC[C@H](NC(=O)[C@H]1CCn2ccnc2C1)C(=O)[O-]	ZINC000910047984	613069796	/nfs/dbraw/zinc/06/97/96/613069796.db2.gz	BGPIBXCALBKMBA-UWVGGRQHSA-N	-1	0	261.281	0.038	20	30		CCEDRM
C#CC[C@H](NC(=O)c1cn2c(n1)CC[C@@H](C)C2)C(=O)[O-]	ZINC000910049921	613070387	/nfs/dbraw/zinc/07/03/87/613070387.db2.gz	ACSYZJOVLDSXBB-ZJUUUORDSA-N	-1	0	275.308	0.672	20	30		CCEDRM
C#CC[C@H](NC(=O)c1cnc2n1CCCCC2)C(=O)[O-]	ZINC000910050040	613070535	/nfs/dbraw/zinc/07/05/35/613070535.db2.gz	CNJRKIPDOVGGBB-JTQLQIEISA-N	-1	0	275.308	0.816	20	30		CCEDRM
C#C[C@@H](CO)NC(=O)c1ccccc1S[C@@H](C)C(=O)[O-]	ZINC000911612130	613089871	/nfs/dbraw/zinc/08/98/71/613089871.db2.gz	RPJFWPIDGYPBFJ-UWVGGRQHSA-N	-1	0	293.344	0.976	20	30		CCEDRM
C#C[C@@H](CO)[N-]S(=O)(=O)c1onc(C2CC2)c1Cl	ZINC000867341091	613090683	/nfs/dbraw/zinc/09/06/83/613090683.db2.gz	IBKPHKYMOKFULF-ZETCQYMHSA-N	-1	0	290.728	0.478	20	30		CCEDRM
C#C[C@@H](NC(=O)C(=O)[N-]OC1CCCCC1)[C@@H]1CCCO1	ZINC000809306717	613091165	/nfs/dbraw/zinc/09/11/65/613091165.db2.gz	UQHHFLVZDUULGM-OLZOCXBDSA-N	-1	0	294.351	0.664	20	30		CCEDRM
C#CCN(CC#CC)C(=O)NCCCN(C)C(=O)[O-]	ZINC000823451167	613099791	/nfs/dbraw/zinc/09/97/91/613099791.db2.gz	OTLDRPKTYUKBOW-UHFFFAOYSA-N	-1	0	265.313	0.654	20	30		CCEDRM
C#CCN(CC#CC)C(=O)N[C@H](CNC(=O)[O-])C1CC1	ZINC000823450673	613100053	/nfs/dbraw/zinc/10/00/53/613100053.db2.gz	FXQBMWDPXULERM-GFCCVEGCSA-N	-1	0	277.324	0.701	20	30		CCEDRM
C#CCN(CC#CC)C(=O)[C@H](C)CN(C)C(=O)[O-]	ZINC000823450356	613100233	/nfs/dbraw/zinc/10/02/33/613100233.db2.gz	AJIGOYQZDPUCEJ-LLVKDONJSA-N	-1	0	250.298	0.717	20	30		CCEDRM
C#CCN(CC(=O)[N-]OCC)C(=O)OC(C)(C)C	ZINC000820523138	613103285	/nfs/dbraw/zinc/10/32/85/613103285.db2.gz	FQMREZPEGLUKBR-UHFFFAOYSA-N	-1	0	256.302	0.924	20	30		CCEDRM
C#CCN(CC)C(=O)C[C@@H]1CSCCN1C(=O)[O-]	ZINC000823450691	613105808	/nfs/dbraw/zinc/10/58/08/613105808.db2.gz	GKIMQUZWKVTOHK-SNVBAGLBSA-N	-1	0	270.354	0.954	20	30		CCEDRM
C#C[C@H](C)N(C)C(=O)COCc1ocnc1C(=O)[O-]	ZINC000911385548	613113402	/nfs/dbraw/zinc/11/34/02/613113402.db2.gz	WSQBTSUTMPUADD-QMMMGPOBSA-N	-1	0	266.253	0.370	20	30		CCEDRM
C#C[C@H](CCC)NC(=O)C(=O)Nc1cccnc1C(=O)[O-]	ZINC000850787626	613122409	/nfs/dbraw/zinc/12/24/09/613122409.db2.gz	UCBDHUMRMFCWAC-SECBINFHSA-N	-1	0	289.291	0.636	20	30		CCEDRM
C#C[C@H](NC(=O)NC[C@@H](C)C(=O)[O-])[C@@H]1CCCO1	ZINC000848583305	613140233	/nfs/dbraw/zinc/14/02/33/613140233.db2.gz	WTNRFOBDVPKVKS-UTLUCORTSA-N	-1	0	254.286	0.187	20	30		CCEDRM
C#C[C@H](NC(=O)c1cc(C(=O)[O-])ccn1)[C@H]1CCCO1	ZINC000911577469	613148576	/nfs/dbraw/zinc/14/85/76/613148576.db2.gz	CJUJZLASIUVGFH-CMPLNLGQSA-N	-1	0	274.276	0.690	20	30		CCEDRM
C#Cc1ccc(C(=O)N2CCN(C(=O)[O-])C[C@H]2C#N)cn1	ZINC000823467536	613169548	/nfs/dbraw/zinc/16/95/48/613169548.db2.gz	ZJUBAZUQLFXKAW-GFCCVEGCSA-N	-1	0	284.275	0.391	20	30		CCEDRM
C#Cc1ccc(C(=O)N2CCOC[C@H]2c2nnn[n-]2)cc1	ZINC000913499364	613171182	/nfs/dbraw/zinc/17/11/82/613171182.db2.gz	OFUHKTXUIGQJON-LBPRGKRZSA-N	-1	0	283.291	0.395	20	30		CCEDRM
C#Cc1cncc(C(=O)N(CCOC)CCC(=O)[O-])c1	ZINC000908957505	613212172	/nfs/dbraw/zinc/21/21/72/613212172.db2.gz	KDGLYXLLWPWFNR-UHFFFAOYSA-N	-1	0	276.292	0.626	20	30		CCEDRM
C#Cc1cncc(C(=O)N2CCO[C@@H](CC(=O)[O-])C2)c1	ZINC000909265673	613214024	/nfs/dbraw/zinc/21/40/24/613214024.db2.gz	OGPPUSMJWMATDH-LBPRGKRZSA-N	-1	0	274.276	0.379	20	30		CCEDRM
C#Cc1cncc(C(=O)N[C@@]2(CC(=O)[O-])CCOC2)c1	ZINC000909699055	613220779	/nfs/dbraw/zinc/22/07/79/613220779.db2.gz	MPDSISPNMJLKKC-CQSZACIVSA-N	-1	0	274.276	0.427	20	30		CCEDRM
C=C(C)C(C)(C)C(=O)[N-]S(=O)(=O)C[C@@H](COC)OC	ZINC000853209281	613244493	/nfs/dbraw/zinc/24/44/93/613244493.db2.gz	LSXDAQWIWHPPRR-SNVBAGLBSA-N	-1	0	293.385	0.696	20	30		CCEDRM
C=C(C)CN(CC)C(=O)COC(=O)C1(NC(=O)[O-])CC1	ZINC000823473077	613293146	/nfs/dbraw/zinc/29/31/46/613293146.db2.gz	ALABGGMYVAJONH-UHFFFAOYSA-N	-1	0	284.312	0.754	20	30		CCEDRM
C=C(C)CN(CC)C(=O)[C@H](C)N1CCO[C@@H](CC(=O)[O-])C1	ZINC000825642027	613294001	/nfs/dbraw/zinc/29/40/01/613294001.db2.gz	DFQBXKWCESJJPO-STQMWFEESA-N	-1	0	298.383	0.975	20	30		CCEDRM
C=C(C)CO[N-]C(=O)[C@@H]1CCCCN1S(C)(=O)=O	ZINC000846537223	613353781	/nfs/dbraw/zinc/35/37/81/613353781.db2.gz	GQGZCYSIKORUML-JTQLQIEISA-N	-1	0	276.358	0.424	20	30		CCEDRM
C=C(C)CS(=O)(=O)N[C@@H](CSC)C(=O)[O-]	ZINC000903053781	613354286	/nfs/dbraw/zinc/35/42/86/613354286.db2.gz	CCIZPJHRGNACRQ-ZETCQYMHSA-N	-1	0	253.345	0.298	20	30		CCEDRM
C=C(C)C[C@@H](NC(=O)/C=C\c1cn(C)cn1)C(=O)[O-]	ZINC000923105671	613355789	/nfs/dbraw/zinc/35/57/89/613355789.db2.gz	VMAKFTKSKNETNP-DOGVGXBMSA-N	-1	0	263.297	0.969	20	30		CCEDRM
C=C(C)C[C@@H](NC(=O)c1cc(=O)n(C)[n-]1)C(=O)OCC	ZINC000881755914	613356109	/nfs/dbraw/zinc/35/61/09/613356109.db2.gz	RJYBRTRNXXNONX-SNVBAGLBSA-N	-1	0	281.312	0.753	20	30		CCEDRM
C=C(C)C[C@H](C)C(=O)[N-]S(=O)(=O)C(COC)COC	ZINC000851503409	613357014	/nfs/dbraw/zinc/35/70/14/613357014.db2.gz	YPKFPSFATOOJDK-JTQLQIEISA-N	-1	0	293.385	0.696	20	30		CCEDRM
C=C(C)C[C@H](CO)NS(=O)(=O)c1cn(C)c(Cl)n1	ZINC000882848438	613358519	/nfs/dbraw/zinc/35/85/19/613358519.db2.gz	INPYQPXQSCBYKU-MRVPVSSYSA-N	-1	0	293.776	0.679	20	30		CCEDRM
C=C(C)[C@@H]1OCC[C@@H]1C(=O)NCCCc1n[nH]c(=O)[n-]1	ZINC000895898640	613361329	/nfs/dbraw/zinc/36/13/29/613361329.db2.gz	ABMFXJJXOYEVHP-ONGXEEELSA-N	-1	0	280.328	0.540	20	30		CCEDRM
C=C(C)[C@@H]1OCC[C@H]1CNC(=O)N[C@H](COC)C(=O)[O-]	ZINC000908704181	613362102	/nfs/dbraw/zinc/36/21/02/613362102.db2.gz	OTNNBIDWRGEVKM-AXFHLTTASA-N	-1	0	286.328	0.366	20	30		CCEDRM
C=C(Cl)C[C@@H](NC(=O)Cn1cccn1)C(=O)[O-]	ZINC000864181857	613388566	/nfs/dbraw/zinc/38/85/66/613388566.db2.gz	GZFFVDXXCQCASR-MRVPVSSYSA-N	-1	0	257.677	0.595	20	30		CCEDRM
C=C(Cl)C[C@@H](NC(=O)[C@H](O)c1cccnc1)C(=O)[O-]	ZINC000910264801	613388694	/nfs/dbraw/zinc/38/86/94/613388694.db2.gz	DQQKVCZTYSERLX-NXEZZACHSA-N	-1	0	284.699	0.827	20	30		CCEDRM
C=C(Cl)C[C@@H](NC(=O)c1ncn(C)n1)C(=O)[O-]	ZINC000910268174	613388733	/nfs/dbraw/zinc/38/87/33/613388733.db2.gz	WVNVPRNZYWNPOF-ZCFIWIBFSA-N	-1	0	258.665	0.141	20	30		CCEDRM
C=C(Cl)C[C@@H](NC(=O)c1cc2n(n1)CCCO2)C(=O)[O-]	ZINC000910271635	613388747	/nfs/dbraw/zinc/38/87/47/613388747.db2.gz	QWOLTDQRNKREFO-SECBINFHSA-N	-1	0	299.714	0.991	20	30		CCEDRM
C=C(Cl)C[C@H](NC(=O)c1cnnn1CC)C(=O)[O-]	ZINC000910266098	613390774	/nfs/dbraw/zinc/39/07/74/613390774.db2.gz	JNXNWJATZGHWMZ-ZETCQYMHSA-N	-1	0	272.692	0.624	20	30		CCEDRM
C=C(Cl)C[C@H](NS(=O)(=O)[C@H](C)CCOC)C(=O)[O-]	ZINC000863420105	613390968	/nfs/dbraw/zinc/39/09/68/613390968.db2.gz	JWRKCTXZFNZOQE-BDAKNGLRSA-N	-1	0	299.776	0.927	20	30		CCEDRM
C=CC[C@@H](CO)CNC(=O)c1cc(-c2nn[nH]n2)cn1C	ZINC000823888872	613402679	/nfs/dbraw/zinc/40/26/79/613402679.db2.gz	ZGGXCOQFDRIHMO-SECBINFHSA-N	-1	0	290.327	0.120	20	30		CCEDRM
C=CC[C@@H]1CCN(C(=O)C(=O)NC[C@@H](CC)C(=O)[O-])C1	ZINC000927959379	613407842	/nfs/dbraw/zinc/40/78/42/613407842.db2.gz	NQECQGNIRWVXRX-GHMZBOCLSA-N	-1	0	282.340	0.638	20	30		CCEDRM
C=CC[C@H](C)NC(=O)C[C@@H]1CN(C(=O)[O-])CCO1	ZINC000823490521	613413867	/nfs/dbraw/zinc/41/38/67/613413867.db2.gz	FKXDYIZVDNLVFG-VHSXEESVSA-N	-1	0	256.302	0.836	20	30		CCEDRM
C=CC[C@H](CO)CNC(=O)c1csc(C(=O)[O-])n1	ZINC000911650796	613416183	/nfs/dbraw/zinc/41/61/83/613416183.db2.gz	HPBBCNQEOVZUEL-ZETCQYMHSA-N	-1	0	270.310	0.756	20	30		CCEDRM
C=CC[C@H](CO)CNS(=O)(=O)c1cccc(C(=O)[O-])c1	ZINC000833369746	613416262	/nfs/dbraw/zinc/41/62/62/613416262.db2.gz	DJGQGMYBZSSOTI-JTQLQIEISA-N	-1	0	299.348	0.848	20	30		CCEDRM
C=CCN1C(=O)N=NC1S[C@H]1CN(C(=O)[O-])CCC1=O	ZINC000823521411	613424585	/nfs/dbraw/zinc/42/45/85/613424585.db2.gz	CCKAPYFFQUTFOW-QMMMGPOBSA-N	-1	0	298.324	0.583	20	30		CCEDRM
C=C[C@@H](C)NC(=O)C(=O)Nc1ccc(CC(=O)[O-])cc1	ZINC000825653283	613442106	/nfs/dbraw/zinc/44/21/06/613442106.db2.gz	IEQVPEXIODXSRM-SECBINFHSA-N	-1	0	276.292	0.943	20	30		CCEDRM
C=C[C@@H](C)O[N-]C(=O)C(=O)Nc1cn(C)nc1C1CC1	ZINC000846157224	613443212	/nfs/dbraw/zinc/44/32/12/613443212.db2.gz	SNNIQMGIVYBPAS-MRVPVSSYSA-N	-1	0	278.312	0.858	20	30		CCEDRM
C=C[C@@H](C)O[N-]C(=O)C(=O)Nc1cc(CC)on1	ZINC000846155670	613443217	/nfs/dbraw/zinc/44/32/17/613443217.db2.gz	VANYBUWKRRORRW-SSDOTTSWSA-N	-1	0	253.258	0.798	20	30		CCEDRM
C=C[C@@H](C)O[N-]C(=O)C(=O)Nc1cncc(OC)n1	ZINC000846155365	613443328	/nfs/dbraw/zinc/44/33/28/613443328.db2.gz	GGYYCBJSMILBLK-SSDOTTSWSA-N	-1	0	266.257	0.046	20	30		CCEDRM
C=C[C@@H](C)O[N-]C(=O)CN1C(=O)[C@@H]2CCCC[C@@H]2C1=O	ZINC000846541638	613443480	/nfs/dbraw/zinc/44/34/80/613443480.db2.gz	JTEKHEITXAQWPO-MXWKQRLJSA-N	-1	0	280.324	0.784	20	30		CCEDRM
C=C[C@@H](C)ONC(=O)Cc1c(C)nc2nc(N)nn2c1C	ZINC000846663533	613443548	/nfs/dbraw/zinc/44/35/48/613443548.db2.gz	XBEWZQKVCCIZBP-SSDOTTSWSA-N	-1	0	290.327	0.488	20	30		CCEDRM
C=CC(C)(C)C(=O)[N-]S(=O)(=O)CCC(=O)OC	ZINC000842355664	613444142	/nfs/dbraw/zinc/44/41/42/613444142.db2.gz	KWMUNYBVJIBIQE-UHFFFAOYSA-N	-1	0	263.315	0.208	20	30		CCEDRM
C=CC(C)(C)C(=O)[N-]S(=O)(=O)[C@H](C)[C@H](C)C(=O)OC	ZINC000835317712	613444447	/nfs/dbraw/zinc/44/44/47/613444447.db2.gz	XZTICCUEYIARAC-DTWKUNHWSA-N	-1	0	291.369	0.842	20	30		CCEDRM
C=CC(C)(C)CC(=O)[N-]S(=O)(=O)N1CCOCC1	ZINC000892745457	613446172	/nfs/dbraw/zinc/44/61/72/613446172.db2.gz	YMMXWBLYOSDIFH-UHFFFAOYSA-N	-1	0	276.358	0.282	20	30		CCEDRM
C=C[C@@H](CC)CC(=O)N1CCOC[C@@H]1c1nnn[n-]1	ZINC000827961456	613447888	/nfs/dbraw/zinc/44/78/88/613447888.db2.gz	OOXXUNGVBLHHDU-VHSXEESVSA-N	-1	0	265.317	0.702	20	30		CCEDRM
C=C[C@@H](CC)CC(=O)N1CCO[C@@H](c2nnn[n-]2)C1	ZINC000932281854	613448244	/nfs/dbraw/zinc/44/82/44/613448244.db2.gz	CRMCSMFKXXTNNF-VHSXEESVSA-N	-1	0	265.317	0.702	20	30		CCEDRM
C=C[C@@H](O)C(=O)N(CCC(=O)[O-])C[C@@H]1CCCO1	ZINC000908985412	613449273	/nfs/dbraw/zinc/44/92/73/613449273.db2.gz	XRMCTBTWCUJICU-VHSXEESVSA-N	-1	0	257.286	0.016	20	30		CCEDRM
C=CC1(S(=O)(=O)[N-]C(=O)Cc2ccc(OC)cn2)CC1	ZINC000870837814	613450891	/nfs/dbraw/zinc/45/08/91/613450891.db2.gz	COFNFLHFLMQCFE-UHFFFAOYSA-N	-1	0	296.348	0.797	20	30		CCEDRM
C=C[C@@H](O)C(=O)N1C[C@H](C(=O)[O-])[C@@H](C(F)(F)F)C1	ZINC000910391816	613451200	/nfs/dbraw/zinc/45/12/00/613451200.db2.gz	FJPFPGBTESSZGL-LYFYHCNISA-N	-1	0	267.203	0.255	20	30		CCEDRM
C=CC1(S(=O)(=O)[N-]C(=O)[C@@H]2CCC(=O)C2)CC1	ZINC000870838702	613451253	/nfs/dbraw/zinc/45/12/53/613451253.db2.gz	KMSDZOXIUZAAEX-MRVPVSSYSA-N	-1	0	257.311	0.520	20	30		CCEDRM
C=CC1(S(=O)(=O)[N-]C(=O)[C@@H]2C[C@H]3CC[C@@H]2O3)CC1	ZINC000870837892	613451285	/nfs/dbraw/zinc/45/12/85/613451285.db2.gz	YUBKUKLULMISEK-BBBLOLIVSA-N	-1	0	271.338	0.719	20	30		CCEDRM
C=CC1(S(=O)(=O)[N-]C(=O)[C@@H]2C[C@@H]2OCC)CC1	ZINC000870832921	613451290	/nfs/dbraw/zinc/45/12/90/613451290.db2.gz	HXBRUAHNUZXXHH-BDAKNGLRSA-N	-1	0	259.327	0.576	20	30		CCEDRM
C=CC1(S(=O)(=O)[N-]C(=O)[C@H](C)OCC2CC2)CC1	ZINC000870833111	613451539	/nfs/dbraw/zinc/45/15/39/613451539.db2.gz	LURFZYWIIOAYIT-VIFPVBQESA-N	-1	0	273.354	0.966	20	30		CCEDRM
C=CC1(S(=O)(=O)[N-]C(=O)[C@@]2(CC)CCNC2=O)CC1	ZINC000870840401	613451653	/nfs/dbraw/zinc/45/16/53/613451653.db2.gz	PWCZSBHUPPEDQT-LBPRGKRZSA-N	-1	0	286.353	0.067	20	30		CCEDRM
C=CC1(S(=O)(=O)[N-]C(=O)[C@]2(C)CCCOC2)CC1	ZINC000870836194	613451949	/nfs/dbraw/zinc/45/19/49/613451949.db2.gz	ZQAPZEMOPDLVEB-LLVKDONJSA-N	-1	0	273.354	0.968	20	30		CCEDRM
C=C[C@@H](O)C(=O)N[C@@H](C(=O)[O-])c1ccc2c(c1)CCO2	ZINC000909795012	613452218	/nfs/dbraw/zinc/45/22/18/613452218.db2.gz	SSSWOGAFKHFYHT-ZYHUDNBSSA-N	-1	0	277.276	0.410	20	30		CCEDRM
C=CCC1(C(=O)[O-])CN(S(=O)(=O)c2cncn2CC)C1	ZINC000906007077	613456856	/nfs/dbraw/zinc/45/68/56/613456856.db2.gz	UDKAKCPMWKBKRR-UHFFFAOYSA-N	-1	0	299.352	0.554	20	30		CCEDRM
C=CCC1(S(=O)(=O)[N-]C(=O)CCOCCOC)CC1	ZINC000810983335	613460662	/nfs/dbraw/zinc/46/06/62/613460662.db2.gz	QIHNHJLBTLACRK-UHFFFAOYSA-N	-1	0	291.369	0.594	20	30		CCEDRM
C=CCC1(S(=O)(=O)[N-]C(=O)COCCCOC)CC1	ZINC000810981100	613460720	/nfs/dbraw/zinc/46/07/20/613460720.db2.gz	MAIMGJRKZGLPRX-UHFFFAOYSA-N	-1	0	291.369	0.594	20	30		CCEDRM
C=CCC1(S(=O)(=O)[N-]C(=O)COCCOCC)CC1	ZINC000810987173	613460762	/nfs/dbraw/zinc/46/07/62/613460762.db2.gz	ASFATLPGAOOCHU-UHFFFAOYSA-N	-1	0	291.369	0.594	20	30		CCEDRM
C=CCCC(=O)N[C@@](C)(Cn1cccn1)C(=O)[O-]	ZINC000908271614	613462985	/nfs/dbraw/zinc/46/29/85/613462985.db2.gz	INWNRZWMYRAQOM-LBPRGKRZSA-N	-1	0	251.286	0.809	20	30		CCEDRM
C=CCCCC(=O)[N-]S(=O)(=O)[C@H](C)[C@H](C)C(=O)OC	ZINC000802156448	613464839	/nfs/dbraw/zinc/46/48/39/613464839.db2.gz	GIKLMNLFSHLSRD-VHSXEESVSA-N	-1	0	291.369	0.986	20	30		CCEDRM
C=C[C@@H]1OCC[C@H]1CNC(=O)N[C@@H](CF)C(=O)[O-]	ZINC000909237744	613469765	/nfs/dbraw/zinc/46/97/65/613469765.db2.gz	KVSNTRKSGBZNMQ-CIUDSAMLSA-N	-1	0	260.265	0.299	20	30		CCEDRM
C=C[C@@](C)(CCOC)C(=O)N(C)Cc1nc(=O)o[n-]1	ZINC000911450818	613476535	/nfs/dbraw/zinc/47/65/35/613476535.db2.gz	FRIXTDSZMLKUCP-LBPRGKRZSA-N	-1	0	269.301	0.550	20	30		CCEDRM
C=C[C@H](C)NC(=O)CO[C@@H]1CCCN(C(=O)[O-])C1	ZINC000823490517	613482507	/nfs/dbraw/zinc/48/25/07/613482507.db2.gz	FHAALJWFLBEEEV-VHSXEESVSA-N	-1	0	256.302	0.836	20	30		CCEDRM
C=C[C@H](C)NC(=O)C(=O)Nc1ccc(OCC(=O)[O-])cc1	ZINC000825653418	613482596	/nfs/dbraw/zinc/48/25/96/613482596.db2.gz	KZMNLQFJBNRVCL-VIFPVBQESA-N	-1	0	292.291	0.779	20	30		CCEDRM
C=C[C@H](C)NC(=O)N1CCO[C@@H]([C@@H](C)NC(=O)[O-])C1	ZINC000823491610	613482949	/nfs/dbraw/zinc/48/29/49/613482949.db2.gz	YKFOVQRRWGXHKM-IVZWLZJFSA-N	-1	0	271.317	0.627	20	30		CCEDRM
C=C[C@H](C)O[N-]C(=O)C(=O)Nc1ncc(OC)s1	ZINC000846156666	613483682	/nfs/dbraw/zinc/48/36/82/613483682.db2.gz	NRSVGLJUODZCJD-LURJTMIESA-N	-1	0	271.298	0.713	20	30		CCEDRM
C=C[C@H](C)O[N-]C(=O)C(=O)Nc1ccnn1CC1CC1	ZINC000846152539	613483690	/nfs/dbraw/zinc/48/36/90/613483690.db2.gz	BPNLYSNCGOULOW-VIFPVBQESA-N	-1	0	278.312	0.854	20	30		CCEDRM
C=C[C@H](C)O[N-]C(=O)C(C)(C)NC(=O)C(C)(C)NC(C)=O	ZINC000862133236	613483738	/nfs/dbraw/zinc/48/37/38/613483738.db2.gz	VKFUMFQEUQNPJP-VIFPVBQESA-N	-1	0	299.371	0.418	20	30		CCEDRM
C=C[C@H](C)O[N-]C(=O)C(=O)Nc1ccnn1CCC	ZINC000846154108	613483739	/nfs/dbraw/zinc/48/37/39/613483739.db2.gz	NVIJZNXHSDAHRR-VIFPVBQESA-N	-1	0	266.301	0.854	20	30		CCEDRM
C=C[C@H](C)O[N-]C(=O)C(=O)Nc1ccn([C@H](C)COC)n1	ZINC000846152750	613483740	/nfs/dbraw/zinc/48/37/40/613483740.db2.gz	CYUNADYKRLBYFP-ZJUUUORDSA-N	-1	0	296.327	0.651	20	30		CCEDRM
C=C[C@H](C)O[N-]C(=O)COCC(=O)NCc1cccnc1	ZINC000846550640	613484099	/nfs/dbraw/zinc/48/40/99/613484099.db2.gz	ODEJBNQBRMIQQG-NSHDSACASA-N	-1	0	293.323	0.337	20	30		CCEDRM
C=C[C@H](C)O[N-]C(=O)CN1CCN(c2ccccn2)CC1	ZINC000846546194	613484102	/nfs/dbraw/zinc/48/41/02/613484102.db2.gz	SUFUKGYKVMOGMN-ZDUSSCGKSA-N	-1	0	290.367	0.826	20	30		CCEDRM
C=C[C@H](C)O[N-]C(=O)COCc1ocnc1C(=O)OC	ZINC000862132563	613484137	/nfs/dbraw/zinc/48/41/37/613484137.db2.gz	ISKKQXTYZAQNSW-QMMMGPOBSA-N	-1	0	284.268	0.600	20	30		CCEDRM
C=C[C@H](C)O[N-]C(=O)[C@H](OC)C(=O)OC(C)(C)C	ZINC000869153781	613488340	/nfs/dbraw/zinc/48/83/40/613488340.db2.gz	GHGMMBWYTLQVPP-IUCAKERBSA-N	-1	0	259.302	0.965	20	30		CCEDRM
C=C[C@H](CC)CC(=O)N1CCOC[C@@H]1c1nnn[n-]1	ZINC000827961439	613488950	/nfs/dbraw/zinc/48/89/50/613488950.db2.gz	OOXXUNGVBLHHDU-NXEZZACHSA-N	-1	0	265.317	0.702	20	30		CCEDRM
C=C[C@H](O)C(=O)N1CCc2occc2[C@H]1C(=O)[O-]	ZINC000910203750	613494930	/nfs/dbraw/zinc/49/49/30/613494930.db2.gz	AAESCQNKRGBWID-WPRPVWTQSA-N	-1	0	251.238	0.337	20	30		CCEDRM
C=C[C@H](O)C(=O)N1C[C@H](C(=O)[O-])[C@H](c2ccccc2)C1	ZINC000909837340	613495423	/nfs/dbraw/zinc/49/54/23/613495423.db2.gz	WNDOLFPYIINXMS-AVGNSLFASA-N	-1	0	275.304	0.860	20	30		CCEDRM
C=C[C@H](O)C(=O)N[C@@H](CC1(OC)CCC1)C(=O)[O-]	ZINC000909895804	613496998	/nfs/dbraw/zinc/49/69/98/613496998.db2.gz	RZCRLKYRJMHKNU-IUCAKERBSA-N	-1	0	257.286	0.062	20	30		CCEDRM
C=C[C@](C)(CCOC)C(=O)N1CC[C@](OC)(C(=O)[O-])C1	ZINC000910216189	613505658	/nfs/dbraw/zinc/50/56/58/613505658.db2.gz	DDLIMDICRPOXIZ-ZIAGYGMSSA-N	-1	0	285.340	0.917	20	30		CCEDRM
C=C[C@](C)(O)C(=O)N1CCSC[C@H](C(=O)[O-])C1	ZINC000910149974	613506481	/nfs/dbraw/zinc/50/64/81/613506481.db2.gz	OYKDXLXCUGDRQX-KCJUWKMLSA-N	-1	0	259.327	0.200	20	30		CCEDRM
C=CCCNC(=O)N[C@@H](C[C@@H]1CCCO1)C(=O)[O-]	ZINC000905543687	613569152	/nfs/dbraw/zinc/56/91/52/613569152.db2.gz	MQUIHLAFFCXCDK-UWVGGRQHSA-N	-1	0	256.302	0.884	20	30		CCEDRM
C=CCCS(=O)(=O)N1CC[C@@H](NC(=O)[O-])[C@H](C)C1	ZINC000823500513	613580672	/nfs/dbraw/zinc/58/06/72/613580672.db2.gz	GBULBVFBAPUNIS-NXEZZACHSA-N	-1	0	276.358	0.870	20	30		CCEDRM
C=CCCNC(=O)N[C@](C)(Cn1cccn1)C(=O)[O-]	ZINC000900286255	613569236	/nfs/dbraw/zinc/56/92/36/613569236.db2.gz	KGZVFJRGAVJJDS-GFCCVEGCSA-N	-1	0	266.301	0.602	20	30		CCEDRM
C=CCCOCC(=O)[N-]S(=O)(=O)c1ccc(F)cn1	ZINC000836046429	613572644	/nfs/dbraw/zinc/57/26/44/613572644.db2.gz	VFEXLUAZRNJZTO-UHFFFAOYSA-N	-1	0	288.300	0.618	20	30		CCEDRM
C=CCCOCC(=O)N[C@H](C)C1(C(=O)[O-])CCOCC1	ZINC000907905999	613572817	/nfs/dbraw/zinc/57/28/17/613572817.db2.gz	SAHPXIYIFIJNBG-LLVKDONJSA-N	-1	0	285.340	0.965	20	30		CCEDRM
C=CCCOCC(=O)O[C@@H]1CN(C(=O)[O-])CCC1=O	ZINC000823496227	613573791	/nfs/dbraw/zinc/57/37/91/613573791.db2.gz	GHFPJGVMCSJQAZ-SNVBAGLBSA-N	-1	0	271.269	0.444	20	30		CCEDRM
C=CCCO[N-]C(=O)Cn1ccc(C(=O)OC)n1	ZINC000880725255	613576679	/nfs/dbraw/zinc/57/66/79/613576679.db2.gz	TVHSBXSMIFJXBR-UHFFFAOYSA-N	-1	0	253.258	0.294	20	30		CCEDRM
C=CCCO[C@@H](C)C(=O)NCCn1cnc(C(=O)[O-])c1	ZINC000909912972	613578150	/nfs/dbraw/zinc/57/81/50/613578150.db2.gz	PWKGHHDBEKDWPE-JTQLQIEISA-N	-1	0	281.312	0.679	20	30		CCEDRM
C=CCCO[C@@H](C)C(=O)NCCCc1c[nH][nH]c1=O	ZINC000898731121	613578195	/nfs/dbraw/zinc/57/81/95/613578195.db2.gz	CINRLYMZBPFIAQ-QWRGUYRKSA-N	-1	0	267.329	0.596	20	30		CCEDRM
C=CCCS(=O)(=O)N1CCN(C(=O)[O-])C[C@@H]1C	ZINC000823500938	613580687	/nfs/dbraw/zinc/58/06/87/613580687.db2.gz	NOMVTWYVUOHTRI-VIFPVBQESA-N	-1	0	262.331	0.576	20	30		CCEDRM
C=CCCS(=O)(=O)N1CCC[C@H](NC(=O)[O-])C1	ZINC000823500960	613580854	/nfs/dbraw/zinc/58/08/54/613580854.db2.gz	NZIYKFHRWFGYBE-VIFPVBQESA-N	-1	0	262.331	0.624	20	30		CCEDRM
C=CCC[C@@H](NC(=O)c1cn(C)nc1COC)C(=O)[O-]	ZINC000909716526	613585039	/nfs/dbraw/zinc/58/50/39/613585039.db2.gz	SQKAHECPSQUGCB-SNVBAGLBSA-N	-1	0	281.312	0.716	20	30		CCEDRM
C=CCC[C@H](NC(=O)[C@H]1CCc2nnn(C)c2C1)C(=O)[O-]	ZINC000909713597	613590157	/nfs/dbraw/zinc/59/01/57/613590157.db2.gz	GMOIQBCZWXPZSW-ONGXEEELSA-N	-1	0	292.339	0.456	20	30		CCEDRM
C=CCCn1cc(C(=O)[N-]S(=O)(=O)C2(CC)CC2)nn1	ZINC000821294785	613594897	/nfs/dbraw/zinc/59/48/97/613594897.db2.gz	UVPSRPYVRPDAEY-UHFFFAOYSA-N	-1	0	298.368	0.856	20	30		CCEDRM
C=CCN(C(=O)CCCC(=O)[O-])[C@@H]1CCS(=O)(=O)C1	ZINC000833374880	613604851	/nfs/dbraw/zinc/60/48/51/613604851.db2.gz	LCZRVUHKAGICKK-SNVBAGLBSA-N	-1	0	289.353	0.443	20	30		CCEDRM
C=CCN(CC(=O)[O-])C(=O)C[C@@H](C)n1ccnc1	ZINC000846118539	613641954	/nfs/dbraw/zinc/64/19/54/613641954.db2.gz	PASCIPHZJYYNRN-SNVBAGLBSA-N	-1	0	251.286	0.933	20	30		CCEDRM
C=CCN(CC(=O)[O-])C(=O)[C@@H]1CCc2cnn(C)c2C1	ZINC000909515806	613643371	/nfs/dbraw/zinc/64/33/71/613643371.db2.gz	GSICNZYVAKHDRR-SNVBAGLBSA-N	-1	0	277.324	0.624	20	30		CCEDRM
CC#CCNC(=O)NCc1cccc(OCC(=O)[O-])c1	ZINC000833380482	613644378	/nfs/dbraw/zinc/64/43/78/613644378.db2.gz	HFQKQZUTLUEVCA-UHFFFAOYSA-N	-1	0	276.292	0.973	20	30		CCEDRM
CC#CCNC(=O)[C@@H](C)Oc1ccccc1-c1nn[nH]n1	ZINC000823937195	613644531	/nfs/dbraw/zinc/64/45/31/613644531.db2.gz	LZDHQKWBVCLKDN-SNVBAGLBSA-N	-1	0	285.307	0.774	20	30		CCEDRM
CC#CCS(=O)(=O)[N-]C(=O)CCc1nc(C)cs1	ZINC000810773517	613645887	/nfs/dbraw/zinc/64/58/87/613645887.db2.gz	BDVNILJOALVZMJ-UHFFFAOYSA-N	-1	0	286.378	0.853	20	30		CCEDRM
C=CCN(CC(F)(F)F)C(=O)[C@H]1CN(C(=O)[O-])CCO1	ZINC000823500587	613646083	/nfs/dbraw/zinc/64/60/83/613646083.db2.gz	HPOXCMSYKPXFGG-MRVPVSSYSA-N	-1	0	296.245	0.942	20	30		CCEDRM
CC#CCS(=O)(=O)[N-]C(=O)Cc1ccccc1CC#N	ZINC000810771560	613646137	/nfs/dbraw/zinc/64/61/37/613646137.db2.gz	LVONYLGXHQVNTN-UHFFFAOYSA-N	-1	0	290.344	0.764	20	30		CCEDRM
CC#CCS(=O)(=O)[N-]C(=O)Cc1ccc([N+](=O)[O-])cc1	ZINC000810774395	613646146	/nfs/dbraw/zinc/64/61/46/613646146.db2.gz	YMWRGSCFQKSKBD-UHFFFAOYSA-N	-1	0	296.304	0.607	20	30		CCEDRM
CC#CCS(=O)(=O)[N-]C(=O)[C@H]1CC12CCSCC2	ZINC000835371314	613647124	/nfs/dbraw/zinc/64/71/24/613647124.db2.gz	HQUZVHJCINMKJS-SNVBAGLBSA-N	-1	0	287.406	0.989	20	30		CCEDRM
CC(N=Nc1ccc(Cl)nn1)c1cn(CC(=O)[O-])nn1	ZINC000825808878	613657209	/nfs/dbraw/zinc/65/72/09/613657209.db2.gz	IGSBAXQJSNRMGV-UHFFFAOYSA-N	-1	0	295.690	0.642	20	30		CCEDRM
C=CCN1CC[C@@H](N2CCCC[C@H]2C(=O)[O-])C1=O	ZINC000873646430	613739681	/nfs/dbraw/zinc/73/96/81/613739681.db2.gz	HLBMDFNDAOHWIN-MNOVXSKESA-N	-1	0	252.314	0.712	20	30		CCEDRM
C=CCNC(=O)C(C#N)=C([O-])c1ccc(N)c([N+](=O)[O-])c1	ZINC000916919120	613852953	/nfs/dbraw/zinc/85/29/53/613852953.db2.gz	ZJGUGBSWRZCVNV-VIFPVBQESA-N	-1	0	288.263	0.802	20	30		CCEDRM
C=CCNC(=O)C(C#N)=C([O-])c1cncc(-n2ccnn2)c1	ZINC000802042168	613853006	/nfs/dbraw/zinc/85/30/06/613853006.db2.gz	BHHGNQBQLMEKKP-LBPRGKRZSA-N	-1	0	296.290	0.287	20	30		CCEDRM
C=CCNC(=O)[C@@H](C)OC(=O)[C@@H](C)CN(C)C(=O)[O-]	ZINC000823506042	613853683	/nfs/dbraw/zinc/85/36/83/613853683.db2.gz	BDLOFIMOTNLMPZ-DTWKUNHWSA-N	-1	0	272.301	0.466	20	30		CCEDRM
C=CCNC(=O)[C@@H](C)OC(=O)[C@](C)(C#N)CC(=O)[O-]	ZINC000819720443	613853927	/nfs/dbraw/zinc/85/39/27/613853927.db2.gz	ZBTIFIHBEZVCRK-PELKAZGASA-N	-1	0	268.269	0.225	20	30		CCEDRM
C=CCNC(=O)[C@H](C)OC(=O)C[C@H](C)NC(=O)[O-]	ZINC000823507394	613855503	/nfs/dbraw/zinc/85/55/03/613855503.db2.gz	WWMJGHINCQXAJM-YUMQZZPRSA-N	-1	0	258.274	0.267	20	30		CCEDRM
C=CCOCC(=O)N1CC[C@@H](NC(=O)[O-])C[C@@H]1C	ZINC000823516299	613879185	/nfs/dbraw/zinc/87/91/85/613879185.db2.gz	FPVSJBSXELNYAD-VHSXEESVSA-N	-1	0	256.302	0.836	20	30		CCEDRM
C=CCOCC(=O)N1C[C@@H]2CCC[C@@H]2[C@H]1C(=O)[O-]	ZINC000909675226	613879264	/nfs/dbraw/zinc/87/92/64/613879264.db2.gz	FALWJOKRFFRUSL-NHCYSSNCSA-N	-1	0	253.298	0.901	20	30		CCEDRM
C=CCOCCCNC(=O)C(=O)N1CC[C@](C)(C(=O)[O-])C1	ZINC000851683376	613879916	/nfs/dbraw/zinc/87/99/16/613879916.db2.gz	DLBDJXKIWRWAKR-AWEZNQCLSA-N	-1	0	298.339	0.019	20	30		CCEDRM
C=CCOCC[N-]S(=O)(=O)N=[S@](C)(=O)CC	ZINC000867071848	613881255	/nfs/dbraw/zinc/88/12/55/613881255.db2.gz	MPPBBRZATVKTPS-OAHLLOKOSA-N	-1	0	270.376	0.141	20	30		CCEDRM
C=CCOC[C@@H](NC(=O)C[C@H](O)CC(C)(C)C)C(=O)[O-]	ZINC000909770302	613881617	/nfs/dbraw/zinc/88/16/17/613881617.db2.gz	DZQMYAFWUOZIOT-WDEREUQCSA-N	-1	0	287.356	0.946	20	30		CCEDRM
C=CCOC[C@H](NC(=O)[C@H]1CCSC1)C(=O)[O-]	ZINC000909771769	613882639	/nfs/dbraw/zinc/88/26/39/613882639.db2.gz	PSRMLVBBXJBOKG-IUCAKERBSA-N	-1	0	259.327	0.512	20	30		CCEDRM
C=CCO[N-]C(=O)[C@@H]1CS[C@@]2(C)CCC(=O)N12	ZINC000837043050	613884375	/nfs/dbraw/zinc/88/43/75/613884375.db2.gz	JZCNATXIJIJYTG-KWQFWETISA-N	-1	0	256.327	0.674	20	30		CCEDRM
C=CCO[N-]C(=O)[C@H]1CN(C(=O)OC(C)(C)C)CCN1C	ZINC000823421325	613884496	/nfs/dbraw/zinc/88/44/96/613884496.db2.gz	VHAPRCNQLHTYFQ-LLVKDONJSA-N	-1	0	299.371	0.771	20	30		CCEDRM
C=CCOc1ccccc1CNC(=O)NCC(=O)[N-]OC	ZINC000917914258	613884857	/nfs/dbraw/zinc/88/48/57/613884857.db2.gz	KQVNEBFLPDSLMC-UHFFFAOYSA-N	-1	0	293.323	0.728	20	30		CCEDRM
CC(C)SCC(=O)[N-]S(=O)(=O)CC1(C#N)CC1	ZINC000793204822	614070464	/nfs/dbraw/zinc/07/04/64/614070464.db2.gz	RBLYRVXHNULXOP-UHFFFAOYSA-N	-1	0	276.383	0.878	20	30		CCEDRM
CC(C)(CNC(=O)[O-])C(=O)Nc1cnn(CC#N)c1	ZINC000823969758	614103138	/nfs/dbraw/zinc/10/31/38/614103138.db2.gz	UVMOSYQUFVVJBM-UHFFFAOYSA-N	-1	0	265.273	0.639	20	30		CCEDRM
CC(C)C[C@@H](NC(=O)Cn1ccnc1C#N)C(=O)[O-]	ZINC000833480057	614193892	/nfs/dbraw/zinc/19/38/92/614193892.db2.gz	GBSWBVKUOYBUFD-SECBINFHSA-N	-1	0	264.285	0.370	20	30		CCEDRM
CC(=O)c1c[nH]c(C(=O)N[C@H]2CCCN(O)C2=O)c1	ZINC000816759001	614245971	/nfs/dbraw/zinc/24/59/71/614245971.db2.gz	CBDLYPACAVPKOB-VIFPVBQESA-N	-1	0	265.269	0.327	20	30		CCEDRM
CC(=O)c1cccc(C(=O)N(CC#N)CC(=O)[O-])c1	ZINC000825957639	614255599	/nfs/dbraw/zinc/25/55/99/614255599.db2.gz	WUUNGYUAYCNADE-UHFFFAOYSA-N	-1	0	260.249	0.940	20	30		CCEDRM
CC(C)(C#N)CS(=O)(=O)N1CCC[C@H]1C(=O)[O-]	ZINC000905985839	614286144	/nfs/dbraw/zinc/28/61/44/614286144.db2.gz	NCTJPJPFTDVZEU-QMMMGPOBSA-N	-1	0	260.315	0.415	20	30		CCEDRM
CC(C)(C#N)CS(=O)(=O)[N-]C(=O)/C=C\[C@H]1CCCO1	ZINC000820509356	614286613	/nfs/dbraw/zinc/28/66/13/614286613.db2.gz	KAVGOBKEGABJCT-WWQCOOJYSA-N	-1	0	286.353	0.717	20	30		CCEDRM
CC(C)(C)C#CC(=O)N1CCSC[C@@H]1c1nnn[n-]1	ZINC000907479300	614314790	/nfs/dbraw/zinc/31/47/90/614314790.db2.gz	BLXOUIOEVFFVBH-SECBINFHSA-N	-1	0	279.369	0.866	20	30		CCEDRM
CC(C)n1ccc(CC(=O)N(CC#N)CC(=O)[O-])n1	ZINC000827193326	614360911	/nfs/dbraw/zinc/36/09/11/614360911.db2.gz	XTEHQGBHKZQPBJ-UHFFFAOYSA-N	-1	0	264.285	0.443	20	30		CCEDRM
CC(C)N1CC[C@H](NC(=O)[C@@](C)(C#N)CC(=O)[O-])C1=O	ZINC000820024924	614386292	/nfs/dbraw/zinc/38/62/92/614386292.db2.gz	JSWUXSLOCYQXFJ-TVQRCGJNSA-N	-1	0	281.312	0.116	20	30		CCEDRM
CC(C)N1C[C@@H](NC(=O)[C@@](C)(C#N)CC(=O)[O-])CC1=O	ZINC000820025099	614394440	/nfs/dbraw/zinc/39/44/40/614394440.db2.gz	RAQPPWAMMLRIFP-TVQRCGJNSA-N	-1	0	281.312	0.116	20	30		CCEDRM
CCC(C#N)(CC)C(=O)[N-]S(=O)(=O)C[C@H]1CCOC1	ZINC000860631352	614470548	/nfs/dbraw/zinc/47/05/48/614470548.db2.gz	DGYZIUOKSDQQGR-JTQLQIEISA-N	-1	0	288.369	0.799	20	30		CCEDRM
CCCC1N=NC(=S)N1N=Cc1cn(CC(=O)[O-])nn1	ZINC000808008131	614498711	/nfs/dbraw/zinc/49/87/11/614498711.db2.gz	MCJYBJLHLKVPRW-UHFFFAOYSA-N	-1	0	295.328	0.078	20	30		CCEDRM
CCC(=O)N1CC[C@@H](NC(=O)[C@@](C)(C#N)CC(=O)[O-])C1	ZINC000820256798	614651016	/nfs/dbraw/zinc/65/10/16/614651016.db2.gz	JPCQOVWHXHDPCN-NOZJJQNGSA-N	-1	0	281.312	0.118	20	30		CCEDRM
CCN(C)C(=O)COC(=O)[C@@](C)(C#N)CC(=O)[O-]	ZINC000820332761	614840063	/nfs/dbraw/zinc/84/00/63/614840063.db2.gz	IUYOKSDCMAPJMW-LLVKDONJSA-N	-1	0	256.258	0.012	20	30		CCEDRM
CCCCCNC(=O)Cn1cnc(-c2nnn[n-]2)c1C#N	ZINC000825276305	614923136	/nfs/dbraw/zinc/92/31/36/614923136.db2.gz	VAKHUJCJGNRDIE-UHFFFAOYSA-N	-1	0	288.315	0.241	20	30		CCEDRM
CCN(CCO)N=Cc1cccc(OCC(=O)[O-])c1	ZINC000842534661	615055309	/nfs/dbraw/zinc/05/53/09/615055309.db2.gz	CNOFZJIADARCOC-UHFFFAOYSA-N	-1	0	266.297	0.798	20	30		CCEDRM
CCOC1(C(=O)[N-]S(=O)(=O)CCC#N)CCCC1	ZINC000821583605	615206429	/nfs/dbraw/zinc/20/64/29/615206429.db2.gz	BBYSKRPLUJXOPJ-UHFFFAOYSA-N	-1	0	274.342	0.695	20	30		CCEDRM
CCOCCn1cc(C([O-])=C(C#N)C(=O)NC(C)C)cn1	ZINC000857010158	615303318	/nfs/dbraw/zinc/30/33/18/615303318.db2.gz	FZTWHCRTEWCMMN-GFCCVEGCSA-N	-1	0	292.339	0.767	20	30		CCEDRM
CCOC[C@@H](C(=O)[O-])N(C)C(=O)c1cc(C#N)cn1C	ZINC000829961317	615303988	/nfs/dbraw/zinc/30/39/88/615303988.db2.gz	QLWOKDLCSPAOPS-NSHDSACASA-N	-1	0	279.296	0.458	20	30		CCEDRM
CCO[N-]C(=O)C(=O)Nc1ccc(C#N)cc1F	ZINC000134736923	615355398	/nfs/dbraw/zinc/35/53/98/615355398.db2.gz	COLMXYGYZDMKEK-UHFFFAOYSA-N	-1	0	251.217	0.704	20	30		CCEDRM
CCO[N-]C(=O)CNC(=O)/C=C/C(=O)c1ccc(C)cc1	ZINC000911897904	615356289	/nfs/dbraw/zinc/35/62/89/615356289.db2.gz	IIPUXKFLHJHNLR-CMDGGOBGSA-N	-1	0	290.319	0.918	20	30		CCEDRM
CCO[N-]C(=O)CNC(=O)N1CCC[C@](C)(C#N)C1	ZINC000845539369	615360520	/nfs/dbraw/zinc/36/05/20/615360520.db2.gz	FTHOWNWYWFMGLI-GFCCVEGCSA-N	-1	0	268.317	0.389	20	30		CCEDRM
CCO[N-]C(=O)CNC(=O)c1ccsc1C#N	ZINC000911898757	615372411	/nfs/dbraw/zinc/37/24/11/615372411.db2.gz	QBMFYZSBOOVWGP-UHFFFAOYSA-N	-1	0	253.283	0.417	20	30		CCEDRM
CCO[C@@H]1C[C@H]1C(=O)N1CCN(C(=O)[O-])C[C@H]1C#N	ZINC000827389587	615449818	/nfs/dbraw/zinc/44/98/18/615449818.db2.gz	URBAIRTXSIDJPA-OPRDCNLKSA-N	-1	0	267.285	0.126	20	30		CCEDRM
CCn1ncc2cc(C([O-])=C(C#N)C(=O)NC)c(C)nc21	ZINC000799603574	615718042	/nfs/dbraw/zinc/71/80/42/615718042.db2.gz	JKQSKESBGJLIMS-LLVKDONJSA-N	-1	0	285.307	0.828	20	30		CCEDRM
CCc1nc(CN2CCN(C(=O)[O-])C[C@@H]2C#N)no1	ZINC000827631007	615742357	/nfs/dbraw/zinc/74/23/57/615742357.db2.gz	CGVHDTCDINWTFV-QMMMGPOBSA-N	-1	0	265.273	0.320	20	30		CCEDRM
CC[C@H](O)CNN=Cc1cccc(OCC(=O)[O-])c1	ZINC000811652966	615830301	/nfs/dbraw/zinc/83/03/01/615830301.db2.gz	DADMZCNHPJTGGD-NSHDSACASA-N	-1	0	266.297	0.844	20	30		CCEDRM
CN(C(=O)[O-])[C@@H]1CCN(C(=O)c2cc(C#N)c[nH]2)C1	ZINC000827865920	615843699	/nfs/dbraw/zinc/84/36/99/615843699.db2.gz	ZSZTYEAFMJXXCP-SECBINFHSA-N	-1	0	262.269	0.711	20	30		CCEDRM
CN(C(=O)[C@]1(F)CCN(C(=O)[O-])C1)C1(C#N)CCC1	ZINC000827737473	615891077	/nfs/dbraw/zinc/89/10/77/615891077.db2.gz	BCWMSRPEZOWRHT-LBPRGKRZSA-N	-1	0	269.276	0.983	20	30		CCEDRM
CC[S@@](=O)CCNS(=O)(=O)c1ccc(C#N)o1	ZINC000804994558	616006556	/nfs/dbraw/zinc/00/65/56/616006556.db2.gz	QGKPIQZZZFHRBF-MRXNPFEDSA-N	-1	0	276.339	0.198	20	30		CCEDRM
CCn1cc(NC(=O)[C@](C)(C#N)CC(=O)[O-])ccc1=O	ZINC000820511485	616006824	/nfs/dbraw/zinc/00/68/24/616006824.db2.gz	UDOLLVZDFPRJNI-ZDUSSCGKSA-N	-1	0	277.280	0.811	20	30		CCEDRM
CN(C)c1ccc(C(=O)[N-]S(=O)(=O)CCC#N)c(F)c1	ZINC000821582343	616012868	/nfs/dbraw/zinc/01/28/68/616012868.db2.gz	KKEUBCPTWVRVOY-UHFFFAOYSA-N	-1	0	299.327	0.865	20	30		CCEDRM
CN(C)c1ccc(NC(=O)N[C@@H]2CCCN(O)C2=O)cn1	ZINC000878246163	616018171	/nfs/dbraw/zinc/01/81/71/616018171.db2.gz	NLVDBLIWYHMQFY-SNVBAGLBSA-N	-1	0	293.327	0.649	20	30		CCEDRM
CCn1ccc(C(=O)[N-]S(=O)(=O)CC2(C#N)CCC2)n1	ZINC000842764344	616020805	/nfs/dbraw/zinc/02/08/05/616020805.db2.gz	SGQJHMKZFJMDPB-UHFFFAOYSA-N	-1	0	296.352	0.656	20	30		CCEDRM
CN(C)c1nccc(CNC(=O)[C@](C)(C#N)CC(=O)[O-])n1	ZINC000820554202	616036720	/nfs/dbraw/zinc/03/67/20/616036720.db2.gz	IKBIBFSOBRSWOE-ZDUSSCGKSA-N	-1	0	291.311	0.163	20	30		CCEDRM
CN1C(=O)CC[C@@H](/N=C/c2cc([N+](=O)[O-])ccc2[O-])C1=O	ZINC000818995113	616126448	/nfs/dbraw/zinc/12/64/48/616126448.db2.gz	PWJKKPDEYWNSMT-FBWGLTFQSA-N	-1	0	291.263	0.867	20	30		CCEDRM
CN1CCC[C@@H](C(=O)[N-]Oc2cccc(C#N)c2)C1=O	ZINC000870691055	616186940	/nfs/dbraw/zinc/18/69/40/616186940.db2.gz	YROYUUKRDSLLTC-LBPRGKRZSA-N	-1	0	273.292	0.837	20	30		CCEDRM
COC(=O)C(C)(C)CS(=O)(=O)[N-]C(=O)[C@H](C)CC#N	ZINC000851034036	616338968	/nfs/dbraw/zinc/33/89/68/616338968.db2.gz	HDJSUINVOQRQMJ-MRVPVSSYSA-N	-1	0	290.341	0.181	20	30		CCEDRM
COC/C(C)=C/C(=O)[N-]S(=O)(=O)CC1(C#N)CC1	ZINC000845511725	616368315	/nfs/dbraw/zinc/36/83/15/616368315.db2.gz	RHCJEISFZUVJGP-WEVVVXLNSA-N	-1	0	272.326	0.329	20	30		CCEDRM
COCCNC(=O)C(C#N)=C([O-])c1cc(C)n(C)c1C	ZINC000916890901	616491856	/nfs/dbraw/zinc/49/18/56/616491856.db2.gz	NFVMSTBARORFRD-LBPRGKRZSA-N	-1	0	277.324	0.727	20	30		CCEDRM
COCCNC(=O)C(C#N)=C([O-])c1ocnc1C1CC1	ZINC000808979818	616492426	/nfs/dbraw/zinc/49/24/26/616492426.db2.gz	NHAPWEQDUYHUCK-VIFPVBQESA-N	-1	0	277.280	0.637	20	30		CCEDRM
COC1CC(C(=O)[N-]S(=O)(=O)CC2(C#N)CC2)C1	ZINC000860649354	616499275	/nfs/dbraw/zinc/49/92/75/616499275.db2.gz	JTPGBLDBIGGKCV-UHFFFAOYSA-N	-1	0	272.326	0.161	20	30		CCEDRM
COCC[C@@H](NC(=O)C1(C#N)CC(C)C1)C(=O)[O-]	ZINC000923083145	616639478	/nfs/dbraw/zinc/63/94/78/616639478.db2.gz	ZAAZPYSALQGMKN-NBBOBHDQSA-N	-1	0	254.286	0.532	20	30		CCEDRM
COCC[C@H](NC(=O)C1(C#N)CC2(CC2)C1)C(=O)[O-]	ZINC000923077919	616681418	/nfs/dbraw/zinc/68/14/18/616681418.db2.gz	BWLPAWGNJJMMON-VIFPVBQESA-N	-1	0	266.297	0.676	20	30		CCEDRM
COCCc1cc(NC(=O)[C@@](C)(C#N)CC(=O)[O-])n(C)n1	ZINC000820738398	616697784	/nfs/dbraw/zinc/69/77/84/616697784.db2.gz	AVJMHXOHXVVZSM-CYBMUJFWSA-N	-1	0	294.311	0.552	20	30		CCEDRM
CNC(=O)C(C#N)=C([O-])c1ccc(-n2ccnn2)cc1	ZINC000127897125	616776819	/nfs/dbraw/zinc/77/68/19/616776819.db2.gz	GQLATTNQZQHEOI-NSHDSACASA-N	-1	0	269.264	0.336	20	30		CCEDRM
CNC(=O)C(C#N)=C([O-])c1ccc(NC(C)=O)cc1	ZINC000917001740	616776860	/nfs/dbraw/zinc/77/68/60/616776860.db2.gz	CFLBHSRCVQZNGB-NSHDSACASA-N	-1	0	259.265	0.713	20	30		CCEDRM
CNC(=O)C(C#N)=C([O-])c1cnc2n1CCCCC2	ZINC000857010410	616778073	/nfs/dbraw/zinc/77/80/73/616778073.db2.gz	MUMZFAYOSNRJPX-VIFPVBQESA-N	-1	0	260.297	0.678	20	30		CCEDRM
COC[C@@](C)(C#N)NC(=O)[C@@]1(F)CCN(C(=O)[O-])C1	ZINC000828886834	617011383	/nfs/dbraw/zinc/01/13/83/617011383.db2.gz	XOXHWDWDADOBCR-GHMZBOCLSA-N	-1	0	273.264	0.123	20	30		CCEDRM
COC[C@@](C)(C#N)NC(=O)c1cccc(OCC(=O)[O-])c1	ZINC000831541533	617011950	/nfs/dbraw/zinc/01/19/50/617011950.db2.gz	ZUOHBMFGBWXHGI-CQSZACIVSA-N	-1	0	292.291	0.808	20	30		CCEDRM
CO[N-]C(=O)CNC(=O)[C@]1(C#N)CC2CCC1CC2	ZINC000832741078	617116001	/nfs/dbraw/zinc/11/60/01/617116001.db2.gz	JLWONIMSCYOFOL-ZPPKWKGLSA-N	-1	0	265.313	0.500	20	30		CCEDRM
CO[N-]C(=O)CNC(=O)c1cc(C#N)cc(N(C)C)c1	ZINC000832749351	617116286	/nfs/dbraw/zinc/11/62/86/617116286.db2.gz	UAEUNIAHZJDOIB-UHFFFAOYSA-N	-1	0	276.296	0.032	20	30		CCEDRM
CO[C@@H](C)CS(=O)(=O)[N-]C(=O)CCCCC#N	ZINC000847694696	617159285	/nfs/dbraw/zinc/15/92/85/617159285.db2.gz	OGDXBOSWUNHJCL-VIFPVBQESA-N	-1	0	262.331	0.551	20	30		CCEDRM
N#CCCCC(=O)[N-]S(=O)(=O)C1(Cl)CC1	ZINC000893235184	625390062	/nfs/dbraw/zinc/39/00/62/625390062.db2.gz	QDAGNODLJIUHDF-UHFFFAOYSA-N	-1	0	250.707	0.855	20	30		CCEDRM
C[C@H]1CO[C@@H](C(=O)[N-]S(=O)(=O)c2ccc(C#N)cc2)C1	ZINC000892413807	623186618	/nfs/dbraw/zinc/18/66/18/623186618.db2.gz	ITLKPSVAJPKBJK-BXKDBHETSA-N	-1	0	294.332	0.788	20	30		CCEDRM
N#Cc1ccc(C(=O)[N-]S(=O)(=O)Cc2ccon2)cc1	ZINC000177710849	623451787	/nfs/dbraw/zinc/45/17/87/623451787.db2.gz	MDLMVEHFTZRTCD-UHFFFAOYSA-N	-1	0	291.288	0.806	20	30		CCEDRM
COCCCNC(=O)C(C#N)=C([O-])c1ccoc1	ZINC000125070090	625760915	/nfs/dbraw/zinc/76/09/15/625760915.db2.gz	BHUKFGQDANCFSG-JTQLQIEISA-N	-1	0	250.254	0.755	20	30		CCEDRM
C[C@@H](C(=O)[O-])N(C)S(=O)(=O)Cc1ccccc1C#N	ZINC000054053327	631253923	/nfs/dbraw/zinc/25/39/23/631253923.db2.gz	NLZDGMVVFVMLTK-VIFPVBQESA-N	-1	0	282.321	0.793	20	30		CCEDRM
COc1ccc(C(=O)[N-]S(C)(=O)=O)c(OC)c1	ZINC000048478805	631722663	/nfs/dbraw/zinc/72/26/63/631722663.db2.gz	LKCOADTVMLGXCV-UHFFFAOYSA-N	-1	0	259.283	0.968	20	30		CCEDRM
C#CC[C@@H](NC(=O)[C@@H](OC)c1ccccc1)C(=O)[O-]	ZINC000059933500	631931778	/nfs/dbraw/zinc/93/17/78/631931778.db2.gz	AJTJZNBMKFOCJK-NEPJUHHUSA-N	-1	0	261.277	0.967	20	30		CCEDRM
C#CCCCC(=O)N[C@H](C(=O)[O-])[C@H]1CCCOC1	ZINC000909547678	632348150	/nfs/dbraw/zinc/34/81/50/632348150.db2.gz	YLMDDHMVLIXGCH-JQWIXIFHSA-N	-1	0	253.298	0.786	20	30		CCEDRM
C=CCCO[C@H](C)C(=O)N[C@H](C(=O)[O-])[C@@H]1CCCOC1	ZINC000262845248	632754376	/nfs/dbraw/zinc/75/43/76/632754376.db2.gz	SOYBGCXSERRMAT-UTUOFQBUSA-N	-1	0	285.340	0.964	20	30		CCEDRM
C#CC[N@@H+]1CC[C@@]2(NC(=O)c3[nH]nc(C)c3[O-])CCC[C@H]12	ZINC000990264347	633499076	/nfs/dbraw/zinc/49/90/76/633499076.db2.gz	GGWMWLPSYMYNNI-NHYWBVRUSA-N	-1	0	288.351	0.784	20	30		CCEDRM
N#CCC1(CS(=O)(=O)N2C[C@H]3[C@H](C(=O)[O-])[C@H]3C2)CC1	ZINC000899938607	633925324	/nfs/dbraw/zinc/92/53/24/633925324.db2.gz	SMBYJZQSHAHZBJ-MYJAWHEDSA-N	-1	0	284.337	0.272	20	30		CCEDRM
N#Cc1cncnc1N1C[C@@H](C(=O)[O-])[C@H](C2CC2)C1	ZINC000900988240	634137507	/nfs/dbraw/zinc/13/75/07/634137507.db2.gz	TWQWLIFKZVBYIM-WDEREUQCSA-N	-1	0	258.281	0.895	20	30		CCEDRM
Cn1nc(C(=O)[O-])cc1C=NNC(=S)NC(C)(C)C	ZINC000901150092	634200787	/nfs/dbraw/zinc/20/07/87/634200787.db2.gz	UOCDNTILHOOSRP-UHFFFAOYSA-N	-1	0	283.357	0.715	20	30		CCEDRM
O=C([O-])c1cc(C=NN[C@@H]2CCCC[C@H]2O)c[nH]1	ZINC000901334877	634230026	/nfs/dbraw/zinc/23/00/26/634230026.db2.gz	OSTHDFYDTXCKDL-MWLCHTKSSA-N	-1	0	251.286	0.940	20	30		CCEDRM
C[C@@]1(C(=O)[O-])CN(C(=O)C2(C#N)CCCC2)CCO1	ZINC000910323848	635748562	/nfs/dbraw/zinc/74/85/62/635748562.db2.gz	JVQACKZVUQALCQ-LBPRGKRZSA-N	-1	0	266.297	0.772	20	30		CCEDRM
C=CCCCN(CC)C(=O)C(=O)NC[C@H](C)C(=O)[O-]	ZINC000910495304	635789758	/nfs/dbraw/zinc/78/97/58/635789758.db2.gz	UVIHXJSJZHVJFH-JTQLQIEISA-N	-1	0	270.329	0.638	20	30		CCEDRM
C#CCSCCNC(=O)Cn1ccc(C(=O)[O-])n1	ZINC000911422994	636265801	/nfs/dbraw/zinc/26/58/01/636265801.db2.gz	HZTYMOCFSLCSDB-UHFFFAOYSA-N	-1	0	267.310	0.064	20	30		CCEDRM
C#C[C@@H](NC(=O)c1ccoc1CC(=O)[O-])[C@H]1CCCO1	ZINC000911578529	636297807	/nfs/dbraw/zinc/29/78/07/636297807.db2.gz	KKMDAURVGZTIEQ-GHMZBOCLSA-N	-1	0	277.276	0.817	20	30		CCEDRM
C#CCSCCNC(=O)N[C@](C)(CC)C(=O)[O-]	ZINC000231960339	637238297	/nfs/dbraw/zinc/23/82/97/637238297.db2.gz	WLWZTTXUZWOECY-LLVKDONJSA-N	-1	0	258.343	0.905	20	30		CCEDRM
C[C@]1(C(=O)[N-]Oc2cccc(C#N)c2)CCCS1(=O)=O	ZINC000913666841	637402671	/nfs/dbraw/zinc/40/26/71/637402671.db2.gz	MFFXJKYNCCBCGF-CYBMUJFWSA-N	-1	0	294.332	0.936	20	30		CCEDRM
Cc1n[nH]c(C(=O)N[C@@H]2CCCN(CC#N)[C@@H]2C)c1[O-]	ZINC000993221127	637750365	/nfs/dbraw/zinc/75/03/65/637750365.db2.gz	LGZGYCDOQCSNPO-NXEZZACHSA-N	-1	0	277.328	0.530	20	30		CCEDRM
N#Cc1ccc(NN=C2C(=O)[N-]C(=O)NC2=O)cc1Cl	ZINC000916625534	637911048	/nfs/dbraw/zinc/91/10/48/637911048.db2.gz	JXMDNXUGJPBBML-UHFFFAOYSA-N	-1	0	291.654	0.346	20	30		CCEDRM
N#Cc1c[n-]c(=O)n(C[C@H]2C[C@@H]3[C@H](C2)C3(F)F)c1=O	ZINC000917859561	637991629	/nfs/dbraw/zinc/99/16/29/637991629.db2.gz	WNJLZXAKSPCEAR-ZFRGLUTLSA-N	-1	0	267.235	0.700	20	30		CCEDRM
CC(Cl)(Cl)C(=O)[N-]S(=O)(=O)CCCC#N	ZINC000180103023	638255532	/nfs/dbraw/zinc/25/55/32/638255532.db2.gz	BDIUHDWZSSUCJZ-UHFFFAOYSA-N	-1	0	273.141	0.930	20	30		CCEDRM
CSCCCC(=O)[N-]S(=O)(=O)CCCC#N	ZINC000181279794	638329005	/nfs/dbraw/zinc/32/90/05/638329005.db2.gz	LCHLCLFCRYJBLP-UHFFFAOYSA-N	-1	0	264.372	0.879	20	30		CCEDRM
CC(C)(C)OCC(=O)[N-]S(=O)(=O)CCCC#N	ZINC000182205531	638458607	/nfs/dbraw/zinc/45/86/07/638458607.db2.gz	TVNOWJDDBQIPTO-UHFFFAOYSA-N	-1	0	262.331	0.551	20	30		CCEDRM
N#C[C@]1(C(=O)N2CCO[C@@H](CC(=O)[O-])C2)CCCOC1	ZINC000923063947	640012634	/nfs/dbraw/zinc/01/26/34/640012634.db2.gz	FJJOUFDPOLGLRO-GXFFZTMASA-N	-1	0	282.296	0.009	20	30		CCEDRM
C[C@@H]1CN(C(=O)C2(C#N)CCC2)C[C@@H](C(=O)[O-])O1	ZINC000923097822	640020707	/nfs/dbraw/zinc/02/07/07/640020707.db2.gz	BPTSBPNAUWFFCL-BDAKNGLRSA-N	-1	0	252.270	0.381	20	30		CCEDRM
C[C@@H]1CN(C(=O)[C@]2(C#N)CCCOC2)C[C@@]1(C)C(=O)[O-]	ZINC000923105250	640025433	/nfs/dbraw/zinc/02/54/33/640025433.db2.gz	PSJBCHAZALUIQY-HONMWMINSA-N	-1	0	280.324	0.876	20	30		CCEDRM
C#CCCS(=O)(=O)[N-]C(=O)c1scnc1C	ZINC000791111243	640445716	/nfs/dbraw/zinc/44/57/16/640445716.db2.gz	REKWSOBISFVJSD-UHFFFAOYSA-N	-1	0	258.324	0.534	20	30		CCEDRM
Cc1oc(C#N)cc1C(=O)[N-]S(=O)(=O)Cc1ccon1	ZINC000797952993	640472132	/nfs/dbraw/zinc/47/21/32/640472132.db2.gz	XNJSMBVJVWZXFS-UHFFFAOYSA-N	-1	0	295.276	0.708	20	30		CCEDRM
C[C@H](C(=O)[N-]O[C@@H]1CCCCO1)n1cnc(C#N)n1	ZINC000798941814	640534106	/nfs/dbraw/zinc/53/41/06/640534106.db2.gz	JDFAVQBYKKYRJV-PSASIEDQSA-N	-1	0	265.273	0.285	20	30		CCEDRM
Cc1[nH]c(CN=Nc2nccn(C)c2=O)cc1C(=O)[O-]	ZINC000800813780	640621463	/nfs/dbraw/zinc/62/14/63/640621463.db2.gz	JBZBWOGIUXPCDS-UHFFFAOYSA-N	-1	0	275.268	0.561	20	30		CCEDRM
Cc1onc(N)c1S(=O)(=O)[N-]C(=O)CC(C)(C)C#N	ZINC000810833027	640952540	/nfs/dbraw/zinc/95/25/40/640952540.db2.gz	ZNLSUQAJCWMYIB-UHFFFAOYSA-N	-1	0	286.313	0.310	20	30		CCEDRM
Cc1noc(C)c1S(=O)(=O)[N-]C(=O)CCCC#N	ZINC000813056563	641020319	/nfs/dbraw/zinc/02/03/19/641020319.db2.gz	DZCHMQCRWJUKDM-UHFFFAOYSA-N	-1	0	271.298	0.790	20	30		CCEDRM
O=c1[n-][nH]c(=O)n1N=Cc1nc(-c2ccccc2)no1	ZINC000814231823	641062599	/nfs/dbraw/zinc/06/25/99/641062599.db2.gz	OQYIZFXGBOUJAM-UHFFFAOYSA-N	-1	0	272.224	0.622	20	30		CCEDRM
Cc1nn(C)c(N)c1C=[NH+][N-]c1ccc(C(=O)[O-])cn1	ZINC000814890041	641080626	/nfs/dbraw/zinc/08/06/26/641080626.db2.gz	GMYSJPFKPWMLIL-UHFFFAOYSA-N	-1	0	274.284	0.850	20	30		CCEDRM
Cn1c2ccc(C=Nn3c(=O)[n-][nH]c3=O)cc2sc1=O	ZINC000814940040	641083503	/nfs/dbraw/zinc/08/35/03/641083503.db2.gz	NCIJQBDLUORLCG-UHFFFAOYSA-N	-1	0	291.292	0.485	20	30		CCEDRM
O=C([O-])CNN=Cc1cnc2cnc(Br)cn12	ZINC000814958712	641084487	/nfs/dbraw/zinc/08/44/87/641084487.db2.gz	MCKVKGRWYFXFGV-UHFFFAOYSA-N	-1	0	298.100	0.500	20	30		CCEDRM
C[C@H](O)CNN=Cc1ccccc1OCC(=O)[O-]	ZINC000814961648	641085956	/nfs/dbraw/zinc/08/59/56/641085956.db2.gz	OTGYABFBHLRKPA-VIFPVBQESA-N	-1	0	252.270	0.454	20	30		CCEDRM
N#CC1(CC(=O)[N-]S(=O)(=O)C[C@H]2CCCCO2)CC1	ZINC000815932530	641131016	/nfs/dbraw/zinc/13/10/16/641131016.db2.gz	JLSNZSLOPVQWJR-SNVBAGLBSA-N	-1	0	286.353	0.695	20	30		CCEDRM
Cc1cc(C#N)cnc1C(=O)[N-]S(=O)(=O)C1(C)CC1	ZINC000816084082	641139731	/nfs/dbraw/zinc/13/97/31/641139731.db2.gz	PBWVVBKLVDHTKP-UHFFFAOYSA-N	-1	0	279.321	0.874	20	30		CCEDRM
O=C(N[C@H]1CCN(O)C1=O)c1ccc([N+](=O)[O-])cc1[O-]	ZINC000816692251	641193129	/nfs/dbraw/zinc/19/31/29/641193129.db2.gz	JURQZRPCPHDZDA-QMMMGPOBSA-N	-1	0	281.224	0.020	20	30		CCEDRM
C[C@@H](Oc1ccc(C#N)cc1)C(=O)Nn1c(=O)[n-][nH]c1=O	ZINC000816734485	641207701	/nfs/dbraw/zinc/20/77/01/641207701.db2.gz	RANMXWYXYBLSEJ-SSDOTTSWSA-N	-1	0	289.251	0.099	20	30		CCEDRM
N#CC1(CS(=O)(=O)[N-]C(=O)/C=C/[C@H]2CCCO2)CC1	ZINC000820595152	641519369	/nfs/dbraw/zinc/51/93/69/641519369.db2.gz	WCJCEOUHSKUSMC-HMDXOVGESA-N	-1	0	284.337	0.471	20	30		CCEDRM
N#CCSCCCn1cnc(-c2nnn[n-]2)c1C#N	ZINC000826382122	641930976	/nfs/dbraw/zinc/93/09/76/641930976.db2.gz	PILCQSBMPYKNKS-UHFFFAOYSA-N	-1	0	274.313	0.582	20	30		CCEDRM
C=CCOc1ccc(C(=O)NCC(=O)[N-]OC)cc1OC	ZINC000832773508	642525285	/nfs/dbraw/zinc/52/52/85/642525285.db2.gz	RHYOFRHECJUQHW-UHFFFAOYSA-N	-1	0	294.307	0.667	20	30		CCEDRM
Cc1nc(C(=O)[N-]S(=O)(=O)CCC#N)sc1C	ZINC000835409440	642660476	/nfs/dbraw/zinc/66/04/76/642660476.db2.gz	XJKKJHYVHQARSD-UHFFFAOYSA-N	-1	0	273.339	0.733	20	30		CCEDRM
C[C@H](C#N)CN(C)S(=O)(=O)N[C@@H](CC(=O)[O-])C1CC1	ZINC000844789156	643248426	/nfs/dbraw/zinc/24/84/26/643248426.db2.gz	IVWJQABBPVJKJQ-SCZZXKLOSA-N	-1	0	289.357	0.166	20	30		CCEDRM
N#CCC1(CS(=O)(=O)N[C@@H](CC(=O)[O-])C2CC2)CC1	ZINC000844786733	643248873	/nfs/dbraw/zinc/24/88/73/643248873.db2.gz	CWDQPUUQVMPNQB-JTQLQIEISA-N	-1	0	286.353	0.853	20	30		CCEDRM
O=C([O-])C#CC1CCN(S(=O)(=O)C2CC2)CC1	ZINC000844814671	643249469	/nfs/dbraw/zinc/24/94/69/643249469.db2.gz	DHTKJNHFKCXJRC-UHFFFAOYSA-N	-1	0	257.311	0.279	20	30		CCEDRM
CC#CCS(=O)(=O)[N-]C(=O)c1cnc2n1[C@H](C)CCC2	ZINC000845545975	643327764	/nfs/dbraw/zinc/32/77/64/643327764.db2.gz	UMXZNCSHRICMOP-SNVBAGLBSA-N	-1	0	295.364	0.863	20	30		CCEDRM
N#CCCCCC(=O)[N-]S(=O)(=O)C[C@H]1CCCO1	ZINC000847677271	643545593	/nfs/dbraw/zinc/54/55/93/643545593.db2.gz	CJBQCZPJOYIFNR-SNVBAGLBSA-N	-1	0	274.342	0.695	20	30		CCEDRM
C[C@@H](CNC(=O)NCc1ccc(C#N)cn1)C(=O)[O-]	ZINC000848582496	643654858	/nfs/dbraw/zinc/65/48/58/643654858.db2.gz	MSYXFLMZUQNZFQ-QMMMGPOBSA-N	-1	0	262.269	0.473	20	30		CCEDRM
C[C@H](CNc1cccc(S(N)(=O)=O)c1C#N)C(=O)[O-]	ZINC000848638406	643663628	/nfs/dbraw/zinc/66/36/28/643663628.db2.gz	SDTTWGZMVJPHIW-SSDOTTSWSA-N	-1	0	283.309	0.338	20	30		CCEDRM
N#CC1(CNC(=O)COCC(=O)[O-])CCCCC1	ZINC000849365026	643734438	/nfs/dbraw/zinc/73/44/38/643734438.db2.gz	VVEWOANBJMYMIZ-UHFFFAOYSA-N	-1	0	254.286	0.678	20	30		CCEDRM
C[C@H](CC(=O)[N-]S(=O)(=O)CCCC#N)[C@H]1CCCO1	ZINC000850926743	643822491	/nfs/dbraw/zinc/82/24/91/643822491.db2.gz	QWNQPMKSNPKWCI-GHMZBOCLSA-N	-1	0	288.369	0.941	20	30		CCEDRM
O=C(C[C@H]1Cc2ccccc2O1)N[C@H]1CCCN(O)C1=O	ZINC000868562511	645786699	/nfs/dbraw/zinc/78/66/99/645786699.db2.gz	GLRHVQUEQPHOKZ-NEPJUHHUSA-N	-1	0	290.319	0.877	20	30		CCEDRM
N#Cc1cccc(O[N-]C(=O)C2(O)CCOCC2)c1	ZINC000870691520	646017797	/nfs/dbraw/zinc/01/77/97/646017797.db2.gz	NWIUAHPNOBOVCM-UHFFFAOYSA-N	-1	0	262.265	0.510	20	30		CCEDRM
Cc1cc(S(=O)(=O)N2CC(C#N)C2)sc1C(=O)[O-]	ZINC000871967634	646200639	/nfs/dbraw/zinc/20/06/39/646200639.db2.gz	ZSQGUILDIRXXMM-UHFFFAOYSA-N	-1	0	286.334	0.899	20	30		CCEDRM
CC#CCS(=O)(=O)[N-]C(=O)c1ccn(CC)c1C	ZINC000873526097	646385162	/nfs/dbraw/zinc/38/51/62/646385162.db2.gz	HRXPSCRCOLBJHQ-UHFFFAOYSA-N	-1	0	268.338	0.899	20	30		CCEDRM
N#Cc1c[n-]c(=O)n(C[C@@H]2CCC3(CCOCC3)O2)c1=O	ZINC000882178201	647379933	/nfs/dbraw/zinc/37/99/33/647379933.db2.gz	DGUHTYJFCRTDSQ-NSHDSACASA-N	-1	0	291.307	0.136	20	30		CCEDRM
CC(=NN1CCN(C)CC1)c1cncc(C(=O)[O-])c1	ZINC000884370547	647721823	/nfs/dbraw/zinc/72/18/23/647721823.db2.gz	NMBWIUFNCACTCJ-UHFFFAOYSA-N	-1	0	262.313	0.751	20	30		CCEDRM
N#Cc1ccc([C@@H]2CN(Cc3n[nH]c(=O)[n-]3)CCO2)cc1	ZINC000933630816	649131292	/nfs/dbraw/zinc/13/12/92/649131292.db2.gz	UFMNYIDFMNVBBW-LBPRGKRZSA-N	-1	0	285.307	0.955	20	30		CCEDRM
C#CCOCCC(=O)[N-]S(=O)(=O)c1ncccc1F	ZINC000190388396	649446178	/nfs/dbraw/zinc/44/61/78/649446178.db2.gz	XIRAAGXHZLYKFO-UHFFFAOYSA-N	-1	0	286.284	0.066	20	30		CCEDRM
C=CCN(CC(=O)[O-])C(=O)CCc1ccnn1C	ZINC000191276162	649470698	/nfs/dbraw/zinc/47/06/98/649470698.db2.gz	NRXMNAXMUJVWAO-UHFFFAOYSA-N	-1	0	251.286	0.452	20	30		CCEDRM
C#Cc1cccc(NC(=O)N2CCOC[C@@H]2C(=O)[O-])c1	ZINC000088383166	649639422	/nfs/dbraw/zinc/63/94/22/649639422.db2.gz	KADROAHUGZIFBE-GFCCVEGCSA-N	-1	0	274.276	0.985	20	30		CCEDRM
C=CCCS(=O)(=O)N1CC(CC=C)(C(=O)[O-])C1	ZINC000722832146	790809001	/nfs/dbraw/zinc/80/90/01/790809001.db2.gz	QLPGJSMTEPKXBI-UHFFFAOYSA-N	-1	0	259.327	0.855	20	30		CCEDRM
C=CCOC[C@H](CS(=O)(=O)[O-])OCc1noc(C)n1	ZINC001210602318	790927317	/nfs/dbraw/zinc/92/73/17/790927317.db2.gz	OREJMCRIHYGQSP-SECBINFHSA-N	-1	0	292.313	0.354	20	30		CCEDRM
C#CCN1CC[NH+](Cc2cc(C(=O)[O-])ccc2O)CC1	ZINC001231566212	805818515	/nfs/dbraw/zinc/81/85/15/805818515.db2.gz	VAQBAZKSAGQXDF-UHFFFAOYSA-N	-1	0	274.320	0.841	20	30		CCEDRM
C=CCN1C(=O)CC[C@@]12CCCN(C(=O)C(=O)[O-])CC2	ZINC001143419057	791432763	/nfs/dbraw/zinc/43/27/63/791432763.db2.gz	JAPWMGMHINHBEB-CQSZACIVSA-N	-1	0	280.324	0.631	20	30		CCEDRM
CCN(CC1CCC1)c1[n-]c(=O)n(C)c(=O)c1C#N	ZINC001120842216	798947257	/nfs/dbraw/zinc/94/72/57/798947257.db2.gz	KTKVDBCINPMXGM-UHFFFAOYSA-N	-1	0	262.313	0.572	20	30		CCEDRM
C#C[C@@H]1COCCN1C(=O)NC[C@@H](CC)C(=O)[O-]	ZINC001121836849	799075198	/nfs/dbraw/zinc/07/51/98/799075198.db2.gz	YJPYIAQJWTXGRQ-NXEZZACHSA-N	-1	0	254.286	0.141	20	30		CCEDRM
COc1nn(C)cc1C([O-])=C(C#N)c1ccncn1	ZINC001122830792	799301186	/nfs/dbraw/zinc/30/11/86/799301186.db2.gz	NHXMORANXNDZNX-MRVPVSSYSA-N	-1	0	257.253	0.709	20	30		CCEDRM
CC[C@H](C#N)C(=O)N1CCC[C@@H](Cc2nnn[n-]2)C1	ZINC001123910726	799502464	/nfs/dbraw/zinc/50/24/64/799502464.db2.gz	VCBRNBPGHAAUKI-VHSXEESVSA-N	-1	0	262.317	0.531	20	30		CCEDRM
N#C[C@@H]1COCCN1Cc1ccc(OCC(=O)[O-])cc1	ZINC001138926630	799768908	/nfs/dbraw/zinc/76/89/08/799768908.db2.gz	MSHQVVQXSPQFKJ-GFCCVEGCSA-N	-1	0	276.292	0.874	20	30		CCEDRM
Nc1nc(Cl)ccc1C(=O)N[C@@H]1CCN(O)C1=O	ZINC001141380663	800004080	/nfs/dbraw/zinc/00/40/80/800004080.db2.gz	XWMDBHOLQPJFDT-ZCFIWIBFSA-N	-1	0	270.676	0.037	20	30		CCEDRM
N#CC1(C(=O)Nc2ccc3c(c2)S(=O)(=O)[N-]C3=O)CC1	ZINC001143181226	800204153	/nfs/dbraw/zinc/20/41/53/800204153.db2.gz	CORQGZYQWOLECI-UHFFFAOYSA-N	-1	0	291.288	0.361	20	30		CCEDRM
C=CCOCC(=O)NC[C@@H](C)N(CC)Cc1n[nH]c(=O)[n-]1	ZINC001152370502	800513268	/nfs/dbraw/zinc/51/32/68/800513268.db2.gz	IZSRZTQDZWAJRI-SNVBAGLBSA-N	-1	0	297.359	0.040	20	30		CCEDRM
N#CCc1cncc(NCC[N-]C(=O)C(F)(F)F)n1	ZINC001156203572	801129459	/nfs/dbraw/zinc/12/94/59/801129459.db2.gz	RAXXBDAIUVELKP-UHFFFAOYSA-N	-1	0	273.218	0.633	20	30		CCEDRM
Cc1cc(Cl)nc(N[C@@H]2CO[N-]C2=O)c1C#N	ZINC001156685730	801212596	/nfs/dbraw/zinc/21/25/96/801212596.db2.gz	OWSSAGLBPLZQKD-SSDOTTSWSA-N	-1	0	252.661	0.757	20	30		CCEDRM
COC(=O)n1ncc(C#N)c1[N-]c1cnc(C#N)c(C#N)n1	ZINC001158970392	801729270	/nfs/dbraw/zinc/72/92/70/801729270.db2.gz	USUZNWZFIUPDJY-UHFFFAOYSA-N	-1	0	294.234	0.646	20	30		CCEDRM
Cc1nc(C#N)c(C#N)nc1N[C@H]1SC(=O)[N-]C1=O	ZINC001163664485	802585934	/nfs/dbraw/zinc/58/59/34/802585934.db2.gz	FLGYDJALXVUWHI-VIFPVBQESA-N	-1	0	274.265	0.249	20	30		CCEDRM
N#Cc1nc(NC(=O)COc2ccccc2C=O)[n-]c1C#N	ZINC001163738289	802601772	/nfs/dbraw/zinc/60/17/72/802601772.db2.gz	RPGCKEFCIMYRKO-UHFFFAOYSA-N	-1	0	295.258	0.983	20	30		CCEDRM
N#Cc1c[n-]c(=O)n(Cc2csc([N+](=O)[O-])c2)c1=O	ZINC001166383585	802903734	/nfs/dbraw/zinc/90/37/34/802903734.db2.gz	MWTMOCSPYFHQEO-UHFFFAOYSA-N	-1	0	278.249	0.426	20	30		CCEDRM
N#Cc1cccc(COC(=O)[C@H](O)CCC(=O)[O-])c1	ZINC001205589628	803149652	/nfs/dbraw/zinc/14/96/52/803149652.db2.gz	KKUVDOLCJMEETM-LLVKDONJSA-N	-1	0	263.249	0.827	20	30		CCEDRM
N#Cc1c(N)nn(-c2cnc(F)c(C(=O)[O-])c2)c1N	ZINC001215103277	803775941	/nfs/dbraw/zinc/77/59/41/803775941.db2.gz	PTAIEYONQHZNAO-UHFFFAOYSA-N	-1	0	262.204	0.141	20	30		CCEDRM
COC(=O)[C@H](CCO)Oc1[n-]c(=O)c(F)cc1C#N	ZINC001218216082	803936984	/nfs/dbraw/zinc/93/69/84/803936984.db2.gz	DFSVLKCZSWDDEI-QMMMGPOBSA-N	-1	0	270.216	0.101	20	30		CCEDRM
C=CCCOCCNS(=O)(=O)[C@H]1CCC[C@H]1C(=O)[O-]	ZINC001465108004	804095481	/nfs/dbraw/zinc/09/54/81/804095481.db2.gz	WOZIWBKGULNRMP-MNOVXSKESA-N	-1	0	291.369	0.752	20	30		CCEDRM
C=CCC[C@@H](NC(=O)/C=C\c1cnn(C)c1)C(=O)[O-]	ZINC000316559132	804710671	/nfs/dbraw/zinc/71/06/71/804710671.db2.gz	ZIMWYKZFZCGKTE-JMEBYUIHSA-N	-1	0	263.297	0.969	20	30		CCEDRM
N#Cc1ccc(C(=O)N2CC3(C[C@H]3C(N)=O)C2)c([O-])c1	ZINC001276864640	804953875	/nfs/dbraw/zinc/95/38/75/804953875.db2.gz	DQGXFDDKGHKHMT-JTQLQIEISA-N	-1	0	271.276	0.211	20	30		CCEDRM
O=C([O-])C[C@H](O)C(=O)O/C(=N\O)c1cc(F)ccc1F	ZINC001223889198	804995621	/nfs/dbraw/zinc/99/56/21/804995621.db2.gz	ZYSVDMJIXDFWGR-JMULNHFYSA-N	-1	0	289.190	0.479	20	30		CCEDRM
C=C(C)C(=O)OC[C@H](C)OCCS(=O)(=O)[O-]	ZINC001224569560	805055978	/nfs/dbraw/zinc/05/59/78/805055978.db2.gz	VAWSJGFHGCOIFC-QMMMGPOBSA-N	-1	0	252.288	0.399	20	30		CCEDRM
N#CCc1ccc(OC(=O)[C@H](O)CCC(=O)[O-])cc1	ZINC001225265567	805116998	/nfs/dbraw/zinc/11/69/98/805116998.db2.gz	YYFRPSPZNDPTDC-LLVKDONJSA-N	-1	0	263.249	0.884	20	30		CCEDRM
O=C1C=C[C@H](Oc2ccc(O)cc2S(=O)(=O)[O-])C1	ZINC001226412252	805227345	/nfs/dbraw/zinc/22/73/45/805227345.db2.gz	FWFLKPZQCWJNRC-VIFPVBQESA-N	-1	0	270.262	0.915	20	30		CCEDRM
C#C[C@@H](Oc1[n-]c(=O)nc2c(=O)[n-]c(=O)[nH]c12)C(C)C	ZINC001226886788	805291220	/nfs/dbraw/zinc/29/12/20/805291220.db2.gz	SLRLSQNUPYGKLK-ZCFIWIBFSA-N	-1	0	276.252	0.573	20	30		CCEDRM
C=CCOC[C@@H](CS(=O)(=O)[O-])Oc1cc(=O)[nH]cn1	ZINC001226945291	805298514	/nfs/dbraw/zinc/29/85/14/805298514.db2.gz	SABMHOLJNVVNHM-QMMMGPOBSA-N	-1	0	290.297	0.020	20	30		CCEDRM
COc1nc(O[C@@H]2CCN(CC#N)C2)cc(=O)[n-]1	ZINC001227000101	805306598	/nfs/dbraw/zinc/30/65/98/805306598.db2.gz	DYGOGFOFICTVQR-MRVPVSSYSA-N	-1	0	250.258	0.167	20	30		CCEDRM
C=C1O[C@@H](C)C(=O)C1Oc1[n-]c(=O)nc2nc[nH]c21	ZINC001227070261	805317663	/nfs/dbraw/zinc/31/76/63/805317663.db2.gz	MZPJGLOYDDCIBC-BYPYZUCNSA-N	-1	0	262.225	0.657	20	30		CCEDRM
C#C[C@@H](Oc1[n-]c(=O)nc2[nH]ccc21)C(=O)OCC	ZINC001227270732	805337588	/nfs/dbraw/zinc/33/75/88/805337588.db2.gz	JQKPMMKUTBBNMA-MRVPVSSYSA-N	-1	0	261.237	0.607	20	30		CCEDRM
CC[C@@H](C#CC(=O)OC)Oc1[n-]c(=S)nnc1C	ZINC001227599890	805370601	/nfs/dbraw/zinc/37/06/01/805370601.db2.gz	BALMGLBSWGMXFU-QMMMGPOBSA-N	-1	0	267.310	0.803	20	30		CCEDRM
CN1[C@@H]2C[C@@H](Oc3nc(=O)[n-]c4c3COC4)C[C@H]1[C@@H]1O[C@@H]12	ZINC001227686047	805378505	/nfs/dbraw/zinc/37/85/05/805378505.db2.gz	FASRSVBPDTVIIL-PDTZJJQMSA-N	-1	0	291.307	0.204	20	30		CCEDRM
N#Cc1cc([N+](=O)[O-])c(OC(=O)[C@H](O)CC(=O)[O-])cc1F	ZINC001227875730	805400267	/nfs/dbraw/zinc/40/02/67/805400267.db2.gz	XFIGZLMXDXHSOI-MRVPVSSYSA-N	-1	0	298.182	0.347	20	30		CCEDRM
Cc1c(C#N)cccc1OC(=O)[C@H](O)CCC(=O)[O-]	ZINC001228028066	805408354	/nfs/dbraw/zinc/40/83/54/805408354.db2.gz	VGACDUOIPNMKGE-SNVBAGLBSA-N	-1	0	263.249	0.998	20	30		CCEDRM
N#Cc1cccc(OC(=O)[C@H](O)CCC(=O)[O-])c1[N+](=O)[O-]	ZINC001229598986	805542967	/nfs/dbraw/zinc/54/29/67/805542967.db2.gz	XLZAMKLRWMWFRQ-MRVPVSSYSA-N	-1	0	294.219	0.598	20	30		CCEDRM
C=CCCCCCC[C@@H](O)CN=c1nn[n-]n1C	ZINC001253229950	808038558	/nfs/dbraw/zinc/03/85/58/808038558.db2.gz	UBUADVQWQNLGHU-LLVKDONJSA-N	-1	0	253.350	0.931	20	30		CCEDRM
N#Cc1ccc(C[N-]S(=O)(=O)CC(F)(F)F)cn1	ZINC001253255072	808040862	/nfs/dbraw/zinc/04/08/62/808040862.db2.gz	NKCITSDGBQDSCX-UHFFFAOYSA-N	-1	0	279.243	0.935	20	30		CCEDRM
N#CCCCc1cn(CCOCCOCC(=O)[O-])nn1	ZINC001254090969	808180365	/nfs/dbraw/zinc/18/03/65/808180365.db2.gz	YLHJWDBFNPWLCT-UHFFFAOYSA-N	-1	0	282.300	0.242	20	30		CCEDRM
COC(=O)[C@H](CCC(=O)[O-])N[C@H]1CC[C@@H](C#N)C1	ZINC001254639626	808269019	/nfs/dbraw/zinc/26/90/19/808269019.db2.gz	WRTNINJVYSWMAI-UTLUCORTSA-N	-1	0	254.286	0.675	20	30		CCEDRM
C[C@@H](C(=O)[N-]OCC(F)(F)F)n1cnc(C#N)n1	ZINC001256541039	808532300	/nfs/dbraw/zinc/53/23/00/808532300.db2.gz	BWNMHMXYNJMOGV-YFKPBYRVSA-N	-1	0	263.179	0.321	20	30		CCEDRM
C=CC[C@H](NC(=O)[C@H]1C[C@H]1c1cnn(C)c1)C(=O)[O-]	ZINC001256560764	808532967	/nfs/dbraw/zinc/53/29/67/808532967.db2.gz	UEAQSBPVNNZRNZ-DCAQKATOSA-N	-1	0	263.297	0.669	20	30		CCEDRM
Cn1cnc(S(=O)(=O)[N-]c2cc(C#N)ccn2)c1	ZINC001258992564	808707914	/nfs/dbraw/zinc/70/79/14/808707914.db2.gz	ZDNZPSHTFAEXMD-UHFFFAOYSA-N	-1	0	263.282	0.488	20	30		CCEDRM
N#CCNS(=O)(=O)c1cc(C(=O)[O-])c(Cl)cc1F	ZINC001259221746	808739450	/nfs/dbraw/zinc/73/94/50/808739450.db2.gz	RVPVDKGKSQIMDY-UHFFFAOYSA-N	-1	0	292.675	0.979	20	30		CCEDRM
C#C[C@H](C)[N-]S(=O)(=O)c1nc2nc(Cl)ccn2n1	ZINC001260180707	808855001	/nfs/dbraw/zinc/85/50/01/808855001.db2.gz	WWUGBUDSZAVLND-LURJTMIESA-N	-1	0	285.716	0.078	20	30		CCEDRM
CS(=O)(=O)CS(=O)(=O)[N-]c1cccc(C#N)c1F	ZINC001260590642	808871113	/nfs/dbraw/zinc/87/11/13/808871113.db2.gz	LMQNRLMEVQPICE-UHFFFAOYSA-N	-1	0	292.313	0.441	20	30		CCEDRM
N#Cc1cccc(O[N-]C(=O)CO[C@H]2CCOC2)c1	ZINC001261885747	809119852	/nfs/dbraw/zinc/11/98/52/809119852.db2.gz	LHBIKCBAVYVCFS-LBPRGKRZSA-N	-1	0	262.265	0.774	20	30		CCEDRM
C[C@@H]1C(=O)N([N-]C(=O)c2csc(C#N)c2)C(=O)N1C	ZINC001262152212	809207271	/nfs/dbraw/zinc/20/72/71/809207271.db2.gz	LIWJMGDHPUKAES-ZCFIWIBFSA-N	-1	0	278.293	0.547	20	30		CCEDRM
C#C[C@H]1CCCCN1c1nnc(-c2cc(=O)[nH][n-]2)n1CC	ZINC001263035933	809427621	/nfs/dbraw/zinc/42/76/21/809427621.db2.gz	IWWPBECEQZBVGU-JTQLQIEISA-N	-1	0	286.339	0.514	20	30		CCEDRM
CCS(=O)(=O)c1cccc(C([O-])=C(C#N)C(=O)NC)c1	ZINC001263291737	809503405	/nfs/dbraw/zinc/50/34/05/809503405.db2.gz	GXPIUDCUFJUROI-LLVKDONJSA-N	-1	0	294.332	0.549	20	30		CCEDRM
N#CC(C(=O)N1CCCC1)=C([O-])c1ccc(C(N)=O)nc1	ZINC001263376355	809514435	/nfs/dbraw/zinc/51/44/35/809514435.db2.gz	VHCZZNXTWMAYJB-JTQLQIEISA-N	-1	0	286.291	0.125	20	30		CCEDRM
N#CC(C(=O)N1CCCC1)=C([O-])c1ccc(C(N)=O)nc1	ZINC001263376356	809514460	/nfs/dbraw/zinc/51/44/60/809514460.db2.gz	VHCZZNXTWMAYJB-SNVBAGLBSA-N	-1	0	286.291	0.125	20	30		CCEDRM
Cc1[nH]nc(C(=O)N2CCC(CN(C)CC#N)CC2)c1[O-]	ZINC001267598446	811509383	/nfs/dbraw/zinc/50/93/83/811509383.db2.gz	DUIRZUFJKHEDCW-UHFFFAOYSA-N	-1	0	291.355	0.731	20	30		CCEDRM
Cc1cccc(N[C@@H]2C(=O)N(S(=O)(=O)[O-])[C@H]2C)c1C#N	ZINC001167860771	812321120	/nfs/dbraw/zinc/32/11/20/812321120.db2.gz	FFXMBXTVLKFYRM-KWQFWETISA-N	-1	0	295.320	0.681	20	30		CCEDRM
C#C[C@H](Oc1[n-]c(=S)nnc1C)C(=O)OCC	ZINC001227599859	814432394	/nfs/dbraw/zinc/43/23/94/814432394.db2.gz	AXKCINRTZQFGEN-ZETCQYMHSA-N	-1	0	253.283	0.412	20	30		CCEDRM
N#CCN1CC[C@@H](Oc2[nH]c(=O)[n-]c(=O)c2F)C1	ZINC001229123287	814920640	/nfs/dbraw/zinc/92/06/40/814920640.db2.gz	CFUVHHMQXGFBTQ-ZCFIWIBFSA-N	-1	0	254.221	0.004	20	30		CCEDRM
CNC(=O)C(C#N)=C([O-])c1ccc([N+](=O)[O-])c(C)c1	ZINC000133198280	818232430	/nfs/dbraw/zinc/23/24/30/818232430.db2.gz	ULZBANJYCKSRMG-SECBINFHSA-N	-1	0	261.237	0.972	20	30		CCEDRM
C#CC[C@@H](NC(=O)C1(OC)CCCCC1)C(=O)[O-]	ZINC000701404580	818959825	/nfs/dbraw/zinc/95/98/25/818959825.db2.gz	XRIWVQGLEQYFIS-SNVBAGLBSA-N	-1	0	253.298	0.928	20	30		CCEDRM
C#CCSCC(=O)[N-]S(=O)(=O)[C@@H]1COC(C)(C)C1	ZINC001119496334	821343836	/nfs/dbraw/zinc/34/38/36/821343836.db2.gz	MMRDHYMBVJTOMN-VIFPVBQESA-N	-1	0	291.394	0.366	20	30		CCEDRM
C=CC[C@@H](NC(=O)c1nnn(C(C)C)c1C)C(=O)[O-]	ZINC001119643638	821406858	/nfs/dbraw/zinc/40/68/58/821406858.db2.gz	FDLZGWFFORGVTF-SECBINFHSA-N	-1	0	266.301	0.927	20	30		CCEDRM
N#Cc1cnc(NCC[N-]C(=O)C(F)(F)F)cn1	ZINC001156200112	835991657	/nfs/dbraw/zinc/99/16/57/835991657.db2.gz	QBTZQAKSHLMTOF-UHFFFAOYSA-N	-1	0	259.191	0.439	20	30		CCEDRM
N#C[C@H]1CNCCN1C(=O)CCC(=O)C1=CC=C[CH]1	ZINC001184244669	844187534	/nfs/dbraw/zinc/18/75/34/844187534.db2.gz	KTRSOYWKZDVXNS-LBPRGKRZSA-N	-1	0	258.301	0.360	20	30		CCEDRM
C[C@@H]1COCCN1CCNC(=O)CCC(=O)C1=CC=C[CH]1	ZINC001184246568	844188753	/nfs/dbraw/zinc/18/87/53/844188753.db2.gz	WKCHOQHMBDVHDS-CYBMUJFWSA-N	-1	0	291.371	0.873	20	30		CCEDRM
CCOC(=O)[C@@H](C#N)NC(=O)CCC(=O)C1=CC=C[CH]1	ZINC001184246006	844189255	/nfs/dbraw/zinc/18/92/55/844189255.db2.gz	HVOHGXJPWCHRTH-LLVKDONJSA-N	-1	0	275.284	0.608	20	30		CCEDRM
CCOC(=O)[C@@H](C#N)Nc1cnc(C(=O)[O-])c(C)c1	ZINC001170370572	837315288	/nfs/dbraw/zinc/31/52/88/837315288.db2.gz	GJBZKISAIWEUTR-SECBINFHSA-N	-1	0	263.253	0.955	20	30		CCEDRM
Cc1ncncc1C(=O)Nc1nc(C#N)c(C#N)[n-]1	ZINC001143815298	839882886	/nfs/dbraw/zinc/88/28/86/839882886.db2.gz	SIOIJIGQDSXDLR-UHFFFAOYSA-N	-1	0	253.225	0.504	20	30		CCEDRM
C#C[C@H](C)NC(=O)c1cc(=O)n(-c2ccccc2)[n-]1	ZINC001147890097	840704471	/nfs/dbraw/zinc/70/44/71/840704471.db2.gz	YQJJMLUXYVRKBN-JTQLQIEISA-N	-1	0	255.277	0.917	20	30		CCEDRM
C=C[C@H](CO)NC(=O)c1cccc(-c2nc(=O)o[n-]2)c1	ZINC001148559660	840837075	/nfs/dbraw/zinc/83/70/75/840837075.db2.gz	USVZQEIZOKNZOT-SNVBAGLBSA-N	-1	0	275.264	0.307	20	30		CCEDRM
Cc1nc(C#N)c(C#N)nc1[N-]c1nccnc1CN	ZINC001171450620	841706834	/nfs/dbraw/zinc/70/68/34/841706834.db2.gz	WESFFWCWAWYFTF-UHFFFAOYSA-N	-1	0	266.268	0.521	20	30		CCEDRM
CC(=O)Nc1ccc(NC(=O)Cc2nnn[n-]2)cc1C#N	ZINC001176842661	842430011	/nfs/dbraw/zinc/43/00/11/842430011.db2.gz	OYOUFPWUGFYTMV-UHFFFAOYSA-N	-1	0	285.267	0.211	20	30		CCEDRM
Cn1cc(NC(=O)C(F)(F)C(F)(F)C(=O)[O-])c(C#N)n1	ZINC001180171599	843115519	/nfs/dbraw/zinc/11/55/19/843115519.db2.gz	XYLMQIBNCRBMRM-UHFFFAOYSA-N	-1	0	294.164	0.585	20	30		CCEDRM
N#Cc1cc(NC(=O)C2=NNC(=O)CC2)ccc1O	ZINC001180258414	843133668	/nfs/dbraw/zinc/13/36/68/843133668.db2.gz	DNUPLWNUTYBRDW-UHFFFAOYSA-N	-1	0	258.237	0.468	20	30		CCEDRM
N#C[C@@H]1COCCN1C(=O)C1(C(=O)[O-])CCCCC1	ZINC001180438208	843167567	/nfs/dbraw/zinc/16/75/67/843167567.db2.gz	KGVNPXQLRXTRKL-SNVBAGLBSA-N	-1	0	266.297	0.772	20	30		CCEDRM
N#Cc1c[n-]c(=O)n(Cc2cc(F)cc(F)c2)c1=O	ZINC001189575265	845173817	/nfs/dbraw/zinc/17/38/17/845173817.db2.gz	VZGROPJHXSQVLX-UHFFFAOYSA-N	-1	0	263.203	0.735	20	30		CCEDRM
N#Cc1cc([N-]S(=O)(=O)c2ncc(F)cc2F)ccn1	ZINC001190141369	845329558	/nfs/dbraw/zinc/32/95/58/845329558.db2.gz	NRZULVNRZOZZOS-UHFFFAOYSA-N	-1	0	296.258	0.849	20	30		CCEDRM
CCOc1ccc(S(=O)(=O)N[C@H](C)C#N)cc1C(=O)[O-]	ZINC001192669980	845889797	/nfs/dbraw/zinc/88/97/97/845889797.db2.gz	NPQNPOYUAPEGPH-MRVPVSSYSA-N	-1	0	298.320	0.974	20	30		CCEDRM
N#C[C@H]1CNCCN1C(=O)c1c([O-])ccc(F)c1F	ZINC001192741919	845897780	/nfs/dbraw/zinc/89/77/80/845897780.db2.gz	PJSQYFJAHHYKQV-ZETCQYMHSA-N	-1	0	267.235	0.608	20	30		CCEDRM
COc1nc(C)nc(Cl)c1[N-]S(=O)(=O)CC#N	ZINC001192943070	845930269	/nfs/dbraw/zinc/93/02/69/845930269.db2.gz	IXENGVXWXRRVRD-UHFFFAOYSA-N	-1	0	276.705	0.712	20	30		CCEDRM
Cc1c([N-]S(=O)(=O)CC#N)cnn1[C@H]1CCOC1	ZINC001192951150	845933019	/nfs/dbraw/zinc/93/30/19/845933019.db2.gz	IDEPEURJOXLZGQ-VIFPVBQESA-N	-1	0	270.314	0.418	20	30		CCEDRM
CC1(C)COc2cc([N-]S(=O)(=O)CC#N)nn2C1	ZINC001192951646	845934405	/nfs/dbraw/zinc/93/44/05/845934405.db2.gz	NOFNJJUGVIIQQU-UHFFFAOYSA-N	-1	0	270.314	0.567	20	30		CCEDRM
N#CCS(=O)(=O)[N-]c1cccc(F)c1OC1COC1	ZINC001192985776	845944884	/nfs/dbraw/zinc/94/48/84/845944884.db2.gz	MZKLFPDSNOBPLL-UHFFFAOYSA-N	-1	0	286.284	0.869	20	30		CCEDRM
CC(=O)c1ccc([N-]S(=O)(=O)CC#N)cc1O	ZINC001192979102	845961768	/nfs/dbraw/zinc/96/17/68/845961768.db2.gz	YPCQNLZSMVSULH-UHFFFAOYSA-N	-1	0	254.267	0.860	20	30		CCEDRM
C[C@H](C#N)S(=O)(=O)[N-]c1noc2cccnc12	ZINC001193095255	845992428	/nfs/dbraw/zinc/99/24/28/845992428.db2.gz	STTVBKOSPQISNE-ZCFIWIBFSA-N	-1	0	252.255	0.877	20	30		CCEDRM
COC(=O)c1cc(O)ccc1[N-]S(=O)(=O)[C@@H](C)C#N	ZINC001193149831	846006431	/nfs/dbraw/zinc/00/64/31/846006431.db2.gz	AARFYJTVVNFYNC-ZETCQYMHSA-N	-1	0	284.293	0.833	20	30		CCEDRM
C[C@@H](C#N)S(=O)(=O)[N-]c1c(F)cccc1C(N)=O	ZINC001193160561	846010574	/nfs/dbraw/zinc/01/05/74/846010574.db2.gz	FLPSSXQOIQPZAR-LURJTMIESA-N	-1	0	271.273	0.578	20	30		CCEDRM
CC(C)(C)N(C[C@@H](O)CO)C(=O)c1ccc([O-])c(C#N)c1	ZINC001193505038	846100850	/nfs/dbraw/zinc/10/08/50/846100850.db2.gz	BWJBTRVGNSUXDR-GFCCVEGCSA-N	-1	0	292.335	0.858	20	30		CCEDRM
N#Cc1cc(C(=O)N[C@@H](CO)Cc2c[nH]cn2)ccc1[O-]	ZINC001193514133	846103326	/nfs/dbraw/zinc/10/33/26/846103326.db2.gz	ASLZALDDUZWKPY-GFCCVEGCSA-N	-1	0	286.291	0.320	20	30		CCEDRM
N#Cc1cccc(C(=O)N2C[C@@H]3COC[C@H](C2)C3=O)c1[O-]	ZINC001193646375	846138979	/nfs/dbraw/zinc/13/89/79/846138979.db2.gz	IKUOUXSWGXFKIQ-PHIMTYICSA-N	-1	0	286.287	0.551	20	30		CCEDRM
N#Cc1cccc(C(=O)Nc2[nH]c(=O)nc3nc[nH]c32)c1[O-]	ZINC001193658157	846139734	/nfs/dbraw/zinc/13/97/34/846139734.db2.gz	VVSUTRGWNBCOIE-UHFFFAOYSA-N	-1	0	296.246	0.888	20	30		CCEDRM
C[C@H]1COCCN1CCNC(=O)c1cccc(C#N)c1[O-]	ZINC001193660544	846139755	/nfs/dbraw/zinc/13/97/55/846139755.db2.gz	ZMSUIKUYHJARPN-NSHDSACASA-N	-1	0	289.335	0.714	20	30		CCEDRM
Cn1[n-]c(C(=O)Nc2cc(C#N)c(C#N)cc2N)cc1=O	ZINC001194201452	846240213	/nfs/dbraw/zinc/24/02/13/846240213.db2.gz	LLPJTMIOXLJQEF-UHFFFAOYSA-N	-1	0	282.263	0.704	20	30		CCEDRM
Cc1cc(C#N)cc(C(=O)N[C@@H]2SC(=O)[N-]C2=O)c1	ZINC001195429961	846541482	/nfs/dbraw/zinc/54/14/82/846541482.db2.gz	WJAGOLVRHCGVSV-LLVKDONJSA-N	-1	0	275.289	0.906	20	30		CCEDRM
N#Cc1ccc(C(=O)Nc2c[nH]nc2C(N)=O)c([O-])c1	ZINC001195733315	846603967	/nfs/dbraw/zinc/60/39/67/846603967.db2.gz	JGWGXPKSRRGFDC-UHFFFAOYSA-N	-1	0	271.236	0.338	20	30		CCEDRM
Cc1nonc1CNC(=O)c1ccc(C#N)cc1[O-]	ZINC001195763887	846613287	/nfs/dbraw/zinc/61/32/87/846613287.db2.gz	FDKWFEAZNDYUAM-UHFFFAOYSA-N	-1	0	258.237	0.885	20	30		CCEDRM
COC(=O)n1ncc(C#N)c1[N-]C(=O)c1ncc(OC)o1	ZINC001195802492	846628305	/nfs/dbraw/zinc/62/83/05/846628305.db2.gz	BQGKIJSIAGXDFK-UHFFFAOYSA-N	-1	0	291.223	0.618	20	30		CCEDRM
C=CCCCC(=O)N1CCCN(Cc2n[nH]c(=O)[n-]2)CC1	ZINC001196984536	846827499	/nfs/dbraw/zinc/82/74/99/846827499.db2.gz	GIOKWNVQPDGUAO-UHFFFAOYSA-N	-1	0	293.371	0.901	20	30		CCEDRM
Cc1ccc(S(=O)(=O)[N-]c2ncn(C)n2)cc1C#N	ZINC001201287391	847753542	/nfs/dbraw/zinc/75/35/42/847753542.db2.gz	ISTZWIHGQUQNQG-UHFFFAOYSA-N	-1	0	277.309	0.796	20	30		CCEDRM
CN1C[C@H]2C[C@@H](C1)N2C(=O)c1ccc([O-])c(C#N)c1	ZINC001275707897	848797370	/nfs/dbraw/zinc/79/73/70/848797370.db2.gz	BZOGXKMCGNTHPH-TXEJJXNPSA-N	-1	0	257.293	0.792	20	30		CCEDRM
CN(C)C(=O)[C@H]1CC12CN(C(=O)c1ccc([O-])c(C#N)c1)C2	ZINC001276155442	848941382	/nfs/dbraw/zinc/94/13/82/848941382.db2.gz	HQROXRCYCPEJRO-GFCCVEGCSA-N	-1	0	299.330	0.814	20	30		CCEDRM
C=CCN(CC(=O)[O-])C(=O)N[C@@H]1COC2(CCC2)C1	ZINC000688300450	849166944	/nfs/dbraw/zinc/16/69/44/849166944.db2.gz	KTQOZOQJZXCBMZ-JTQLQIEISA-N	-1	0	268.313	0.980	20	30		CCEDRM
COc1cc(C=Nn2c(=O)c(C)n[n-]c2=S)ccc1O	ZINC000725392471	850232810	/nfs/dbraw/zinc/23/28/10/850232810.db2.gz	FQCXBZQXDSTLLT-UHFFFAOYSA-N	-1	0	292.320	0.832	20	30		CCEDRM
C=CCS(=O)(=O)[N-]c1ncnc2c1cnn2C	ZINC001259922906	851650830	/nfs/dbraw/zinc/65/08/30/851650830.db2.gz	XTVSRTVCOYEJBW-UHFFFAOYSA-N	-1	0	253.287	0.291	20	30		CCEDRM
C=CCS(=O)(=O)[N-]c1nccnc1C(=O)OCC	ZINC001259923542	851661386	/nfs/dbraw/zinc/66/13/86/851661386.db2.gz	PMJGDORGNVOYAQ-UHFFFAOYSA-N	-1	0	271.298	0.581	20	30		CCEDRM
C=CCOC[C@H](NCc1conc1CC)C(=O)[O-]	ZINC001262157578	852500337	/nfs/dbraw/zinc/50/03/37/852500337.db2.gz	IGYAOLJUBKPSAF-NSHDSACASA-N	-1	0	254.286	0.982	20	30		CCEDRM
N#Cc1cn(CCC(=O)N[C@H]2C=CCCC2)c(=O)[n-]c1=O	ZINC001137373045	853145747	/nfs/dbraw/zinc/14/57/47/853145747.db2.gz	NVHBBUUVONEJKN-NSHDSACASA-N	-1	0	288.307	0.436	20	30		CCEDRM
C#CC[C@H](NC(=O)[C@@H](C)NC(=O)c1cccs1)C(=O)[O-]	ZINC000149596204	853989227	/nfs/dbraw/zinc/98/92/27/853989227.db2.gz	NJYUGZIVZQCEDD-BDAKNGLRSA-N	-1	0	294.332	0.459	20	30		CCEDRM
C=C[C@@H](COC)NC(=O)C(=O)[N-]OCCC(F)(F)F	ZINC001117580883	856017639	/nfs/dbraw/zinc/01/76/39/856017639.db2.gz	HTIPAZGKAUVCDA-ZETCQYMHSA-N	-1	0	284.234	0.304	20	30		CCEDRM
CC#CCS(=O)(=O)[N-]C(=O)c1c2ccccc2nn1C	ZINC001117679207	856044176	/nfs/dbraw/zinc/04/41/76/856044176.db2.gz	SVEZQVBKLCIJCD-UHFFFAOYSA-N	-1	0	291.332	0.656	20	30		CCEDRM
N#C[C@@]1(C(=O)[N-]OC[C@H]2CCOC2)CCCOC1	ZINC001119255131	856600727	/nfs/dbraw/zinc/60/07/27/856600727.db2.gz	QMAUCSXUFTVVAG-JQWIXIFHSA-N	-1	0	254.286	0.391	20	30		CCEDRM
C=CCN(CC(=O)[O-])C(=O)CCc1ccn(C)n1	ZINC001119580003	856752908	/nfs/dbraw/zinc/75/29/08/856752908.db2.gz	ILIHCEDXCSGHLE-UHFFFAOYSA-N	-1	0	251.286	0.452	20	30		CCEDRM
C=C(C)C[C@H](NC(=O)CO[C@@H]1CCOC1)C(=O)[O-]	ZINC001119583850	856755217	/nfs/dbraw/zinc/75/52/17/856755217.db2.gz	PXYKQWOEFZNFFN-ZJUUUORDSA-N	-1	0	257.286	0.328	20	30		CCEDRM
C=CC[C@H](NC(=O)[C@@]1(C#N)CCCOC1)C(=O)[O-]	ZINC001119618450	856780791	/nfs/dbraw/zinc/78/07/91/856780791.db2.gz	KSLRXEPSYXBMOJ-JOYOIKCWSA-N	-1	0	252.270	0.452	20	30		CCEDRM
C=CC[C@H](NC(=O)N[C@H]1CCO[C@]2(CCOC2)C1)C(=O)[O-]	ZINC001119635749	856796984	/nfs/dbraw/zinc/79/69/84/856796984.db2.gz	RUNOLHRVOVJEJT-COPLHBTASA-N	-1	0	298.339	0.653	20	30		CCEDRM
CC(=NNc1nc(=O)c(C)n[n-]1)c1cc[nH]c(=O)c1	ZINC001324901884	913091491	/nfs/dbraw/zinc/09/14/91/913091491.db2.gz	YMIOKAQPKLFSKQ-UHFFFAOYSA-N	-1	0	260.257	0.822	20	30		CCEDRM
C=CC[C@H](NC(=O)CCCC(=O)NCC)C(=O)[O-]	ZINC001325143686	913240497	/nfs/dbraw/zinc/24/04/97/913240497.db2.gz	LSUNKRBVRDRACT-VIFPVBQESA-N	-1	0	256.302	0.438	20	30		CCEDRM
CC(C)[C@H](C(=O)[O-])C(=O)N1CCN(CCC#N)CC1	ZINC001350624165	891850632	/nfs/dbraw/zinc/85/06/32/891850632.db2.gz	ZORJZRCYWGNTMD-NSHDSACASA-N	-1	0	267.329	0.401	20	30		CCEDRM
C=CCCC(=O)NC[C@@H]1CCN(Cc2n[nH]c(=O)[n-]2)C1	ZINC001481083818	892140971	/nfs/dbraw/zinc/14/09/71/892140971.db2.gz	PXOFSVIBORFEPG-JTQLQIEISA-N	-1	0	279.344	0.415	20	30		CCEDRM
Cc1ccc(S(=O)(=O)[N-]c2nnn(C)n2)c(C#N)c1	ZINC001364072540	893936899	/nfs/dbraw/zinc/93/68/99/893936899.db2.gz	PTIPXISBBLHSAA-UHFFFAOYSA-N	-1	0	278.297	0.191	20	30		CCEDRM
Cc1nn2c(S[C@H]3CC[C@@H](C#N)C3)n[n-]c2nc1=O	ZINC001364275238	894003450	/nfs/dbraw/zinc/00/34/50/894003450.db2.gz	AKJDPBGCVRBODY-SFYZADRCSA-N	-1	0	276.325	0.905	20	30		CCEDRM
N#Cc1ccc(OCC(=O)NC2CC(C(=O)[O-])C2)cc1	ZINC000693408559	898116108	/nfs/dbraw/zinc/11/61/08/898116108.db2.gz	AVRNLJAEUXUBCT-UHFFFAOYSA-N	-1	0	274.276	0.916	20	30		CCEDRM
CN(C(=O)c1c[nH]c2cccc(C#N)c21)c1nnn[n-]1	ZINC001301549992	899030263	/nfs/dbraw/zinc/03/02/63/899030263.db2.gz	DGWTZLDAUANYLS-UHFFFAOYSA-N	-1	0	267.252	0.829	20	30		CCEDRM
COC(=O)[C@@H]([N-]S(=O)(=O)CC#N)[C@@H](C)OC(C)(C)C	ZINC001192994783	900028537	/nfs/dbraw/zinc/02/85/37/900028537.db2.gz	SDFCZYRAMXBUPR-BDAKNGLRSA-N	-1	0	292.357	0.175	20	30		CCEDRM
CCOc1cnc([N-]S(=O)(=O)[C@H](C)C#N)cn1	ZINC001193106237	900031911	/nfs/dbraw/zinc/03/19/11/900031911.db2.gz	DZFHZPYZPMBPCY-SSDOTTSWSA-N	-1	0	256.287	0.529	20	30		CCEDRM
N#CC[C@@H](CC(=O)Nn1c(=O)[n-][nH]c1=O)c1ccccc1	ZINC001412180751	901531023	/nfs/dbraw/zinc/53/10/23/901531023.db2.gz	MCPMWLSHXWHOCA-JTQLQIEISA-N	-1	0	287.279	0.847	20	30		CCEDRM
COc1cccc([C@H](O)C(=O)Nc2nc(C#N)c(C#N)[n-]2)c1	ZINC001412292632	901624342	/nfs/dbraw/zinc/62/43/42/901624342.db2.gz	NIOKYQKAPGIGHW-LBPRGKRZSA-N	-1	0	297.274	0.834	20	30		CCEDRM
Cc1cc(C#N)c(=O)[n-]c1C(=O)N1CCC[C@@H]1[C@H](C)O	ZINC001412353515	901656426	/nfs/dbraw/zinc/65/64/26/901656426.db2.gz	RIVRNEPFGLHZIG-GXSJLCMTSA-N	-1	0	275.308	0.953	20	30		CCEDRM
Cc1cc(C#N)c(=O)[n-]c1C(=O)NCc1ccc[nH]c1=O	ZINC001412419034	901706232	/nfs/dbraw/zinc/70/62/32/901706232.db2.gz	NOPCGGGFUQPFHK-UHFFFAOYSA-N	-1	0	284.275	0.998	20	30		CCEDRM
CC(C)CCN(CCC#N)C(=O)Cn1c(=O)[n-][nH]c1=O	ZINC001412531421	901794640	/nfs/dbraw/zinc/79/46/40/901794640.db2.gz	KTEAEQABGJGZDQ-UHFFFAOYSA-N	-1	0	281.316	0.478	20	30		CCEDRM
N#Cc1cccc([C@@H]2C[C@H]2C(=O)NCc2n[nH]c(=O)[n-]2)c1	ZINC001412633353	901888979	/nfs/dbraw/zinc/88/89/79/901888979.db2.gz	HOJUPQRPSFHALX-WDEREUQCSA-N	-1	0	283.291	0.802	20	30		CCEDRM
CSc1[n-]c(=O)c(C(=O)N2CC[C@H](CO)C2)cc1C#N	ZINC001412774526	902112551	/nfs/dbraw/zinc/11/25/51/902112551.db2.gz	NCJMEAKULHPFMF-QMMMGPOBSA-N	-1	0	293.348	0.835	20	30		CCEDRM
N#Cc1cccc(N2CC(n3cc(C#N)c(=O)[n-]c3=O)C2)n1	ZINC001412903660	902345558	/nfs/dbraw/zinc/34/55/58/902345558.db2.gz	XDKCZOUFZYRZCI-UHFFFAOYSA-N	-1	0	294.274	0.149	20	30		CCEDRM
CN(CC(=O)Nc1cccc(C#N)c1)Cc1n[n-]c(=O)o1	ZINC001413008693	902470530	/nfs/dbraw/zinc/47/05/30/902470530.db2.gz	CPHNVHZWNHPHAR-UHFFFAOYSA-N	-1	0	287.279	0.717	20	30		CCEDRM
C[C@H](Cc1cnn(C)c1)C(=O)Nc1nc(C#N)c(C#N)[n-]1	ZINC001413193228	902772387	/nfs/dbraw/zinc/77/23/87/902772387.db2.gz	KRTFNAZSXMSCBB-MRVPVSSYSA-N	-1	0	283.295	0.704	20	30		CCEDRM
N#Cc1ccc2c(c1)C[C@H](NC(=O)CCc1nnn[n-]1)C2	ZINC001413430713	902948256	/nfs/dbraw/zinc/94/82/56/902948256.db2.gz	CQAMFTKTAXFYRV-GFCCVEGCSA-N	-1	0	282.307	0.288	20	30		CCEDRM
C=CCOC[C@H](CS(=O)(=O)[O-])OCC(C)(C)O	ZINC001206046197	903797426	/nfs/dbraw/zinc/79/74/26/903797426.db2.gz	UAIHGFWHZBGIOZ-SECBINFHSA-N	-1	0	268.331	0.233	20	30		CCEDRM
C#CCCCC(=O)N[C@@H](C)CNC(=O)c1[nH]nc(C)c1[O-]	ZINC001284224851	905204334	/nfs/dbraw/zinc/20/43/34/905204334.db2.gz	AZULDILULVOBGO-VIFPVBQESA-N	-1	0	292.339	0.462	20	30		CCEDRM
CS[C@@H](C)CNc1[n-]c(=O)n(C)c(=O)c1C#N	ZINC001337079885	921179104	/nfs/dbraw/zinc/17/91/04/921179104.db2.gz	FNUXXSJEWPCIIB-LURJTMIESA-N	-1	0	254.315	0.109	20	30		CCEDRM
C#CCC1(O)CCN(C(=O)c2c[n-]ncc2=O)CC1	ZINC001337358849	921240962	/nfs/dbraw/zinc/24/09/62/921240962.db2.gz	VQEWSAJWTYAEKC-UHFFFAOYSA-N	-1	0	261.281	0.173	20	30		CCEDRM
O=C(N[C@H]1CCN(O)C1=O)c1cc(=O)[nH]c(C2CC2)c1	ZINC001298426376	907240587	/nfs/dbraw/zinc/24/05/87/907240587.db2.gz	QBCJRKMYFWMUHZ-VIFPVBQESA-N	-1	0	277.280	0.385	20	30		CCEDRM
Cn1ccc(-c2cc(C(=O)N[C@H]3CCN(O)C3=O)[nH]n2)c1	ZINC001298424045	907241971	/nfs/dbraw/zinc/24/19/71/907241971.db2.gz	COOZFWDDWGFQSX-VIFPVBQESA-N	-1	0	289.295	0.135	20	30		CCEDRM
C#Cc1ccc(C(=O)N(C)Cc2nc(=O)o[n-]2)nc1	ZINC001299928886	907410946	/nfs/dbraw/zinc/41/09/46/907410946.db2.gz	KLHJLICOZDVVLE-UHFFFAOYSA-N	-1	0	258.237	0.011	20	30		CCEDRM
CO[N-]C(=O)CNC(=O)/C=C/C(=O)c1ccc(C)cc1	ZINC001304258569	908160168	/nfs/dbraw/zinc/16/01/68/908160168.db2.gz	KVJTYDJFDIKQPL-BQYQJAHWSA-N	-1	0	276.292	0.528	20	30		CCEDRM
CN(Cc1cc(C#N)cs1)C(=O)c1n[nH]c(=O)[n-]1	ZINC001306902666	908275580	/nfs/dbraw/zinc/27/55/80/908275580.db2.gz	WAOOEJOHWHORFD-UHFFFAOYSA-N	-1	0	263.282	0.716	20	30		CCEDRM
CO[N-]C(=O)CNC(=O)N[C@H](C)c1cccc(C#N)c1	ZINC001313292792	908663682	/nfs/dbraw/zinc/66/36/82/908663682.db2.gz	UIXGNXFZCVXMAH-SECBINFHSA-N	-1	0	276.296	0.596	20	30		CCEDRM
N#CCc1ccccc1C(=O)N1CCO[C@@H](c2nnn[n-]2)C1	ZINC001417636266	921480102	/nfs/dbraw/zinc/48/01/02/921480102.db2.gz	VKBUDXAHMXGHBD-GFCCVEGCSA-N	-1	0	298.306	0.479	20	30		CCEDRM
C=C[C@@H](COC)NC(=O)C(C)(C)[N-]C(=O)C(F)(F)F	ZINC001339042296	921633095	/nfs/dbraw/zinc/63/30/95/921633095.db2.gz	ARXGXVSOEMTIBP-ZETCQYMHSA-N	-1	0	282.262	0.761	20	30		CCEDRM
C=CC[C@@H](NC(=O)CCCNC(=O)C1CC1)C(=O)[O-]	ZINC001321166394	911130608	/nfs/dbraw/zinc/13/06/08/911130608.db2.gz	DJMSGCREKLJNDM-SNVBAGLBSA-N	-1	0	268.313	0.438	20	30		CCEDRM
C=CC(C)(C)C(=O)N[C@@H](CC1OCCO1)C(=O)[O-]	ZINC001588671738	983822124	/nfs/dbraw/zinc/82/21/24/983822124.db2.gz	HSTLSAPVIXXANI-QMMMGPOBSA-N	-1	0	257.286	0.531	20	30		CCEDRM
C=CC[C@H](NC(=O)c1cccc(C(=O)NC)c1)C(=O)[O-]	ZINC001322602139	911877810	/nfs/dbraw/zinc/87/78/10/911877810.db2.gz	QMCHKWYDWBQWSI-NSHDSACASA-N	-1	0	276.292	0.805	20	30		CCEDRM
C#CCOc1ccc(C(=O)NCc2nc(=O)o[n-]2)cc1	ZINC001322950289	912032399	/nfs/dbraw/zinc/03/23/99/912032399.db2.gz	ZRDCEAGLCDUQJL-UHFFFAOYSA-N	-1	0	273.248	0.305	20	30		CCEDRM
CC[C@]1(C)NC(=O)N([N-]C(=O)c2cc(C#N)ccn2)C1=O	ZINC001323036131	912083497	/nfs/dbraw/zinc/08/34/97/912083497.db2.gz	XKGKUPSVEBDRKM-ZDUSSCGKSA-N	-1	0	287.279	0.319	20	30		CCEDRM
Cc1ncc(C=Nn2c([S-])nnc(C)c2=O)n1C	ZINC001328519396	915244708	/nfs/dbraw/zinc/24/47/08/915244708.db2.gz	UEQOJADUOXVZJA-UHFFFAOYSA-N	-1	0	264.314	0.160	20	30		CCEDRM
C=CC1CCN(c2[n-]c(=O)n(C)c(=O)c2C#N)CC1	ZINC001339577578	921767131	/nfs/dbraw/zinc/76/71/31/921767131.db2.gz	FIRNIKBCLUTYFJ-UHFFFAOYSA-N	-1	0	260.297	0.348	20	30		CCEDRM
C=CCn1c(-c2cc(=O)[nH][n-]2)nnc1N1CC2CC1(C)C2	ZINC001339710796	921804665	/nfs/dbraw/zinc/80/46/65/921804665.db2.gz	UDVAWIAHGVQDSH-UHFFFAOYSA-N	-1	0	286.339	0.677	20	30		CCEDRM
C=CCOCCCC(=O)[N-]S(=O)(=O)C(F)F	ZINC001330107744	916417461	/nfs/dbraw/zinc/41/74/61/916417461.db2.gz	HBAGCJLBOKOGFQ-UHFFFAOYSA-N	-1	0	257.258	0.638	20	30		CCEDRM
C=C[C@H](COC)NS(=O)(=O)C1(C(=O)[O-])CCC1	ZINC001588692373	983881031	/nfs/dbraw/zinc/88/10/31/983881031.db2.gz	ANNGEISPMUESAX-MRVPVSSYSA-N	-1	0	263.315	0.114	20	30		CCEDRM
C=CCO[N-]C(=O)C(=O)Nc1cc(C)nc(C)n1	ZINC001330815423	916892003	/nfs/dbraw/zinc/89/20/03/916892003.db2.gz	RKDCRJNYWCUNIB-UHFFFAOYSA-N	-1	0	250.258	0.266	20	30		CCEDRM
C[C@H](C#N)C(=O)N[C@@H]1CCCN(Cc2n[nH]c(=O)[n-]2)CC1	ZINC001402609244	917124307	/nfs/dbraw/zinc/12/43/07/917124307.db2.gz	SHURTHWJIWBBEG-NXEZZACHSA-N	-1	0	292.343	0.141	20	30		CCEDRM
N#CCCN1CCN(C(=O)C2(C(=O)[O-])CC=CC2)CC1	ZINC001331978517	917778696	/nfs/dbraw/zinc/77/86/96/917778696.db2.gz	DWFVKMNGQGUYDN-UHFFFAOYSA-N	-1	0	277.324	0.465	20	30		CCEDRM
N#Cc1nc(NC(=O)CCc2cnccn2)[n-]c1C#N	ZINC001332112307	917870103	/nfs/dbraw/zinc/87/01/03/917870103.db2.gz	CXYXAHNGPXDFNR-UHFFFAOYSA-N	-1	0	267.252	0.514	20	30		CCEDRM
C=CC[C@@H](NS(=O)(=O)C[C@H](OC)C1CC1)C(=O)[O-]	ZINC001332138245	917899645	/nfs/dbraw/zinc/89/96/45/917899645.db2.gz	XPFLZZAOOKGRRB-ZJUUUORDSA-N	-1	0	277.342	0.360	20	30		CCEDRM
C=C[C@@H](O)C(=O)N1C[C@H](C(=O)[O-])C[C@H](C(F)(F)F)C1	ZINC001332172791	917930747	/nfs/dbraw/zinc/93/07/47/917930747.db2.gz	RRBYSLGVPMSUNB-GJMOJQLCSA-N	-1	0	281.230	0.645	20	30		CCEDRM
C=CCOC[C@H](NCc1cc2n(n1)CCCC2)C(=O)[O-]	ZINC001333136691	918677423	/nfs/dbraw/zinc/67/74/23/918677423.db2.gz	HTUWCMWHGVBDQY-ZDUSSCGKSA-N	-1	0	279.340	0.965	20	30		CCEDRM
C=CC[C@H](NC(=O)N[C@@H]1C[C@H](OCC)[C@H]1OC)C(=O)[O-]	ZINC001333317828	918798835	/nfs/dbraw/zinc/79/88/35/918798835.db2.gz	IPOYXKOQDWFNES-VLEAKVRGSA-N	-1	0	286.328	0.507	20	30		CCEDRM
COc1cncc(C=CCCn2c(=O)[n-]cc(C#N)c2=O)c1	ZINC001413927396	919190227	/nfs/dbraw/zinc/19/02/27/919190227.db2.gz	CUMWTEPOSJQMCJ-DUXPYHPUSA-N	-1	0	298.302	0.915	20	30		CCEDRM
C#CCN1CCC[C@H]1C(=O)NC[C@]1(C(=O)[O-])CCCOC1	ZINC001334206520	919423898	/nfs/dbraw/zinc/42/38/98/919423898.db2.gz	WDCQBKDVJDNVMX-SWLSCSKDSA-N	-1	0	294.351	0.082	20	30		CCEDRM
C=CCN(CC(=O)[O-])Cc1cnn(CCOC)c1	ZINC001334776301	919760648	/nfs/dbraw/zinc/76/06/48/919760648.db2.gz	CMMRDKJASJZFNG-UHFFFAOYSA-N	-1	0	253.302	0.602	20	30		CCEDRM
C[C@@H]1C[C@@H](C)CN(c2[n-]c(=O)n(C)c(=O)c2C#N)C1	ZINC001336433830	920773395	/nfs/dbraw/zinc/77/33/95/920773395.db2.gz	WNZROIWZXRVWGC-RKDXNWHRSA-N	-1	0	262.313	0.428	20	30		CCEDRM
C=C(C)[C@@H]1OCC[C@H]1CNc1[n-]c(=O)n(C)c(=O)c1C#N	ZINC001336617512	920880703	/nfs/dbraw/zinc/88/07/03/920880703.db2.gz	UYTRSFPKZPPSSP-ONGXEEELSA-N	-1	0	290.323	0.338	20	30		CCEDRM
C#C[C@H]1CC[C@H](NC(=O)C(=O)[N-]OCCSC)CC1	ZINC001336690522	920930251	/nfs/dbraw/zinc/93/02/51/920930251.db2.gz	CAVONYMUMKGBJP-XYPYZODXSA-N	-1	0	284.381	0.705	20	30		CCEDRM
Cn1c(=O)[n-]c(N2CC[C@H]2C(C)(C)C)c(C#N)c1=O	ZINC001336822398	921042527	/nfs/dbraw/zinc/04/25/27/921042527.db2.gz	BHBOFZBNBOQHHY-VIFPVBQESA-N	-1	0	262.313	0.570	20	30		CCEDRM
Cn1cnc2c1nccc2C([O-])=C(C#N)C(=O)N1CCCC1	ZINC001341821345	922686574	/nfs/dbraw/zinc/68/65/74/922686574.db2.gz	PSGSWWVLNDYICP-LLVKDONJSA-N	-1	0	297.318	0.913	20	30		CCEDRM
COCCNC(=O)C(C#N)=C([O-])c1cccc2c1OCC2	ZINC001342707034	923059309	/nfs/dbraw/zinc/05/93/09/923059309.db2.gz	KATHFXPSOREUQZ-GFCCVEGCSA-N	-1	0	288.303	0.707	20	30		CCEDRM
Cc1cc(C(C#N)=C([O-])[C@H]2CCC(=O)O2)nc(C)n1	ZINC001343411274	923306518	/nfs/dbraw/zinc/30/65/18/923306518.db2.gz	NUWRTLLZHFSZJE-MWLCHTKSSA-N	-1	0	259.265	0.975	20	30		CCEDRM
COc1c(C([O-])=C(C#N)C(=O)NC2CC2)cnn1C	ZINC001343589099	923383126	/nfs/dbraw/zinc/38/31/26/923383126.db2.gz	BHFPBYMATQNIGH-QMMMGPOBSA-N	-1	0	262.269	0.030	20	30		CCEDRM
N#CC1(C(=O)N2CC[C@H]([C@H](F)C(=O)[O-])C2)CCC1	ZINC001345768725	923972558	/nfs/dbraw/zinc/97/25/58/923972558.db2.gz	MVGCMFZAHLGUSE-IUCAKERBSA-N	-1	0	254.261	0.951	20	30		CCEDRM
C=CC[C@H](NC(=O)c1ncn(C(C)(C)C)n1)C(=O)[O-]	ZINC001346104212	924070955	/nfs/dbraw/zinc/07/09/55/924070955.db2.gz	RUMMSWDLJKDYEQ-QMMMGPOBSA-N	-1	0	266.301	0.792	20	30		CCEDRM
Cn1c(=O)[n-]c(NC[C@]2(C)CCCC[C@@H]2O)c(C#N)c1=O	ZINC001421074846	924135371	/nfs/dbraw/zinc/13/53/71/924135371.db2.gz	ALLVIUQQJXLFLJ-HZMBPMFUSA-N	-1	0	292.339	0.298	20	30		CCEDRM
CNC(=O)C(C#N)=C([O-])c1ccn(CC(F)(F)F)n1	ZINC001346296393	924147646	/nfs/dbraw/zinc/14/76/46/924147646.db2.gz	RWCVPMPYBPJKQS-LURJTMIESA-N	-1	0	274.202	0.514	20	30		CCEDRM
C=CC[C@@H](NC(=O)[C@H]1CCc2cnc(C)n2C1)C(=O)[O-]	ZINC001348489820	924703976	/nfs/dbraw/zinc/70/39/76/924703976.db2.gz	DMZKJSHDLPYZED-CMPLNLGQSA-N	-1	0	277.324	0.899	20	30		CCEDRM
C=CC[C@H](NC(=O)[C@H]1COCCN1CC(F)F)C(=O)[O-]	ZINC001350770081	925275054	/nfs/dbraw/zinc/27/50/54/925275054.db2.gz	XMNXVVTXLSZLTG-DTWKUNHWSA-N	-1	0	292.282	0.098	20	30		CCEDRM
C/C(Cl)=C\C(=O)N1CC(n2cc(C#N)c(=O)[n-]c2=O)C1	ZINC001353949530	925972939	/nfs/dbraw/zinc/97/29/39/925972939.db2.gz	HHYBUDIOPCMHAA-FARCUNLSSA-N	-1	0	294.698	0.346	20	30		CCEDRM
C=CC[C@H](NC(=O)NCCN1CCOC(C)(C)C1)C(=O)[O-]	ZINC001354039822	925991831	/nfs/dbraw/zinc/99/18/31/925991831.db2.gz	RDTCOOCFXSJYHM-NSHDSACASA-N	-1	0	299.371	0.426	20	30		CCEDRM
N#CC(C(=O)N1CCCC1)=C([O-])c1noc2c1COCC2	ZINC001356132218	926347953	/nfs/dbraw/zinc/34/79/53/926347953.db2.gz	ZBQLGBCVJNBHQB-VIFPVBQESA-N	-1	0	289.291	0.692	20	30		CCEDRM
Cn1c(=O)[n-]c(Nc2cnn(CC(F)F)c2)c(C#N)c1=O	ZINC001413877100	926561199	/nfs/dbraw/zinc/56/11/99/926561199.db2.gz	DRFAEWOSLKHVNB-UHFFFAOYSA-N	-1	0	296.237	0.150	20	30		CCEDRM
Cc1ncoc1C([O-])=C(C#N)C(=O)c1nccn1C	ZINC001357624518	926572499	/nfs/dbraw/zinc/57/24/99/926572499.db2.gz	OHBSDYZHECYMRM-MRVPVSSYSA-N	-1	0	258.237	0.922	20	30		CCEDRM
Cn1ccnc1C([O-])=C(C#N)C(=O)[C@@H]1C[C@H]2CC(=O)[C@@H]1C2	ZINC001358045329	926626228	/nfs/dbraw/zinc/62/62/28/926626228.db2.gz	IYAUVAYPLRAOPM-ZDCRXTMVSA-N	-1	0	285.303	0.927	20	30		CCEDRM
C=CC[C@@H](NC(=O)c1ccc(S(C)(=O)=O)cc1)C(=O)[O-]	ZINC000149991866	926944444	/nfs/dbraw/zinc/94/44/44/926944444.db2.gz	WOCGKZOWOBYCLO-LLVKDONJSA-N	-1	0	297.332	0.849	20	30		CCEDRM
C=C(C)C(=O)OCC[N-]S(=O)(=O)CC(F)(F)F	ZINC000201449744	926952662	/nfs/dbraw/zinc/95/26/62/926952662.db2.gz	XKJUJYIIRGPSJD-UHFFFAOYSA-N	-1	0	275.248	0.587	20	30		CCEDRM
Cc1cc(C#N)c(=O)[n-]c1C(=O)N[C@@H]1CCCCNC1=O	ZINC001361647215	927217408	/nfs/dbraw/zinc/21/74/08/927217408.db2.gz	KFFPNEAFUQMGSQ-SNVBAGLBSA-N	-1	0	288.307	0.366	20	30		CCEDRM
C[C@H](CNC(=O)CCn1cc(C#N)c(=O)[n-]c1=O)C1CC1	ZINC001361857075	927394555	/nfs/dbraw/zinc/39/45/55/927394555.db2.gz	VHIGKONLNAIYSR-SECBINFHSA-N	-1	0	290.323	0.373	20	30		CCEDRM
Cc1cc(C#N)c(=O)[n-]c1C(=O)N(CC(N)=O)CC(C)C	ZINC001362045665	927553781	/nfs/dbraw/zinc/55/37/81/927553781.db2.gz	LQZHMKODTWMZET-UHFFFAOYSA-N	-1	0	290.323	0.551	20	30		CCEDRM
CC[C@H]1C(=O)NCCN1C(=O)c1[n-]c(=O)c(C#N)cc1C	ZINC001362136211	927653442	/nfs/dbraw/zinc/65/34/42/927653442.db2.gz	GMBJLHCYFJQLMD-JTQLQIEISA-N	-1	0	288.307	0.318	20	30		CCEDRM
CN(C(=O)c1cccc(-n2[n-]nnc2=N)c1)C1(C#N)CCC1	ZINC001362165988	927688647	/nfs/dbraw/zinc/68/86/47/927688647.db2.gz	BZXJZJFIIGHOGU-UHFFFAOYSA-N	-1	0	297.322	0.593	20	30		CCEDRM
CSCC[C@@H](C)NC(=O)Cn1cc(C#N)c(=O)[n-]c1=O	ZINC001362230629	927754672	/nfs/dbraw/zinc/75/46/72/927754672.db2.gz	SGFGCRVPKGWUQK-MRVPVSSYSA-N	-1	0	296.352	0.078	20	30		CCEDRM
CO[C@@H]1COC[C@@H]1NC(=O)c1[n-]c(=O)c(C#N)cc1C	ZINC001362816546	928528943	/nfs/dbraw/zinc/52/89/43/928528943.db2.gz	FBYBATJQUBZJPB-VHSXEESVSA-N	-1	0	277.280	0.111	20	30		CCEDRM
Cc1cc(C#N)c(=O)[n-]c1C(=O)N[C@@H]1CCn2cncc2C1	ZINC001362828197	928543210	/nfs/dbraw/zinc/54/32/10/928543210.db2.gz	SBNYLYBWCBTMBL-LLVKDONJSA-N	-1	0	297.318	0.909	20	30		CCEDRM
N#CCc1cccc(NC(=O)CSc2n[nH]c(=O)[n-]2)n1	ZINC001362844988	928563621	/nfs/dbraw/zinc/56/36/21/928563621.db2.gz	VSIZGXJLWKMTJM-UHFFFAOYSA-N	-1	0	290.308	0.702	20	30		CCEDRM
N#Cc1nc(NC(=O)C[C@@H]2CCC(=O)NC2)[n-]c1C#N	ZINC001362868456	928592548	/nfs/dbraw/zinc/59/25/48/928592548.db2.gz	YEQIKLWAUFFBQC-ZETCQYMHSA-N	-1	0	272.268	0.008	20	30		CCEDRM
N#Cc1c[nH]c(C(=O)N2CCC[C@@H](Cc3nnn[n-]3)C2)c1	ZINC001362901596	928630471	/nfs/dbraw/zinc/63/04/71/928630471.db2.gz	CDOAYWQPXVZBAW-VIFPVBQESA-N	-1	0	285.311	0.494	20	30		CCEDRM
CC(C)(F)CCNC(=O)CCn1cc(C#N)c(=O)[n-]c1=O	ZINC001363032703	928784598	/nfs/dbraw/zinc/78/45/98/928784598.db2.gz	CPVJDKAFRAZGBL-UHFFFAOYSA-N	-1	0	296.302	0.465	20	30		CCEDRM
Cc1cnc([C@H](C)Nc2[n-]c(=O)n(C)c(=O)c2C#N)s1	ZINC001363143827	928917094	/nfs/dbraw/zinc/91/70/94/928917094.db2.gz	OYLCLHCPPSVJES-ZETCQYMHSA-N	-1	0	291.336	0.883	20	30		CCEDRM
CCCN(CC(N)=O)Cc1cc(=O)n2[n-]cc(C#N)c2n1	ZINC001363257339	929036580	/nfs/dbraw/zinc/03/65/80/929036580.db2.gz	RQUJWNTVIHGJFN-UHFFFAOYSA-N	-1	0	288.311	0.004	20	30		CCEDRM
Cc1cc(C#N)c(=O)[n-]c1C(=O)NCCc1cnoc1	ZINC001363274490	929059810	/nfs/dbraw/zinc/05/98/10/929059810.db2.gz	ZFNDEZZWLBBZIC-UHFFFAOYSA-N	-1	0	272.264	0.928	20	30		CCEDRM
Cc1cc(C(=O)NCCn2cc(C#N)c(=O)[n-]c2=O)co1	ZINC001363287500	929078357	/nfs/dbraw/zinc/07/83/57/929078357.db2.gz	NLOMSHSPNYRPLT-UHFFFAOYSA-N	-1	0	288.263	0.152	20	30		CCEDRM
Cc1cc(C#N)cnc1C(=O)N1CC[C@H](c2nnn[n-]2)C1	ZINC001363330463	929123003	/nfs/dbraw/zinc/12/30/03/929123003.db2.gz	ZWYQOEKDCNQFGS-JTQLQIEISA-N	-1	0	283.295	0.405	20	30		CCEDRM
N#C[C@@H]1CCCN(C(=O)c2cccc(-n3[n-]nnc3=N)c2)C1	ZINC001363339839	929130986	/nfs/dbraw/zinc/13/09/86/929130986.db2.gz	ZLSRJYCSWPBVLX-JTQLQIEISA-N	-1	0	297.322	0.451	20	30		CCEDRM
Cc1cc(C#N)ccc1C(=O)N1CCOC[C@H]1c1nnn[n-]1	ZINC001363409277	929194771	/nfs/dbraw/zinc/19/47/71/929194771.db2.gz	DGQHACKDYYBPDO-LBPRGKRZSA-N	-1	0	298.306	0.594	20	30		CCEDRM
Cc1cc(C#N)c(=O)[n-]c1C(=O)N1CC[C@@H](c2nnc[nH]2)C1	ZINC001363468157	929270472	/nfs/dbraw/zinc/27/04/72/929270472.db2.gz	QLNSQESLJBVVSB-SECBINFHSA-N	-1	0	298.306	0.715	20	30		CCEDRM
C[C@@H]1CNc2c(C(=O)Nc3nc(C#N)c(C#N)[n-]3)cnn2C1	ZINC001363644539	929450183	/nfs/dbraw/zinc/45/01/83/929450183.db2.gz	QYJQLUYBOKRQCV-SSDOTTSWSA-N	-1	0	296.294	0.663	20	30		CCEDRM
N#Cc1c[n-]c(=O)n(C[C@H]2CCC[C@]3(CCOC3)O2)c1=O	ZINC001363761197	929551730	/nfs/dbraw/zinc/55/17/30/929551730.db2.gz	NDQLIMQKIVPXBT-BXUZGUMPSA-N	-1	0	291.307	0.136	20	30		CCEDRM
N#Cc1ccc([C@@H](C(N)=O)N2CC[C@H](c3nn[nH]n3)C2)cc1	ZINC001363812875	929601581	/nfs/dbraw/zinc/60/15/81/929601581.db2.gz	CITICXUCIHXTIR-RYUDHWBXSA-N	-1	0	297.322	0.087	20	30		CCEDRM
Cc1cc(C#N)c(=O)[n-]c1C(=O)N(C)CC[C@H](C)O	ZINC001445415762	930129800	/nfs/dbraw/zinc/12/98/00/930129800.db2.gz	PSUHKKREIQZQQF-VIFPVBQESA-N	-1	0	263.297	0.810	20	30		CCEDRM
CC(C)(NC(=O)CCn1cc(C#N)c(=O)[n-]c1=O)C1CC1	ZINC001446309322	930387223	/nfs/dbraw/zinc/38/72/23/930387223.db2.gz	MQMDJPOQTNMLMQ-UHFFFAOYSA-N	-1	0	290.323	0.515	20	30		CCEDRM
C#CC[C@H](NC(=O)c1cc(F)c([O-])c(F)c1)C(=O)OC	ZINC001451184019	931393660	/nfs/dbraw/zinc/39/36/60/931393660.db2.gz	YLVIDVXCSPXXRC-JTQLQIEISA-N	-1	0	283.230	0.965	20	30		CCEDRM
C#CC[C@@H](NC(=O)c1cc(F)c([O-])c(F)c1)C(=O)OC	ZINC001451184033	931393920	/nfs/dbraw/zinc/39/39/20/931393920.db2.gz	YLVIDVXCSPXXRC-SNVBAGLBSA-N	-1	0	283.230	0.965	20	30		CCEDRM
COCCN(CCC(=O)[O-])C(=O)NC[C@H](C)C#N	ZINC001604599721	973698676	/nfs/dbraw/zinc/69/86/76/973698676.db2.gz	BFIZLKSTUFOLQL-SECBINFHSA-N	-1	0	257.290	0.279	20	30		CCEDRM
N#Cc1ccc(C(=O)N[C@@H](Cc2ccncc2)C(=O)[O-])[nH]1	ZINC001601093600	970931054	/nfs/dbraw/zinc/93/10/54/970931054.db2.gz	BSJMGGYBLZQSOQ-LBPRGKRZSA-N	-1	0	284.275	0.707	20	30		CCEDRM
N#Cc1ccc(C(=O)N2CC[C@H](C(=O)[O-])C2)cc1O	ZINC001601093158	970931188	/nfs/dbraw/zinc/93/11/88/970931188.db2.gz	WFRYDQSLVZLDKT-JTQLQIEISA-N	-1	0	260.249	0.811	20	30		CCEDRM
N#Cc1ccc(CCC(=O)NCCOCC(=O)[O-])cc1	ZINC001601100360	970932474	/nfs/dbraw/zinc/93/24/74/970932474.db2.gz	ZBKYBRCWYYBJPK-UHFFFAOYSA-N	-1	0	276.292	0.708	20	30		CCEDRM
C#CCN(CC(=O)[O-])C(=O)[C@]1([C@H]2CCCCO2)CCCO1	ZINC001602679648	971261349	/nfs/dbraw/zinc/26/13/49/971261349.db2.gz	VHTDSFZWVOUVJQ-IUODEOHRSA-N	-1	0	295.335	0.651	20	30		CCEDRM
C#CCN(CC(=O)[O-])C(=O)Cc1cnn2ccccc12	ZINC001602683802	971275147	/nfs/dbraw/zinc/27/51/47/971275147.db2.gz	KDPIXVGAPXNZCS-UHFFFAOYSA-N	-1	0	271.276	0.423	20	30		CCEDRM
C#CCN(CC(=O)[O-])C(=O)Nc1cn(C)c(=O)cc1C	ZINC001602688558	971291727	/nfs/dbraw/zinc/29/17/27/971291727.db2.gz	PSQIFHWOANEUQB-UHFFFAOYSA-N	-1	0	277.280	0.245	20	30		CCEDRM
C#CCN(CC(=O)[O-])C(=O)c1ccc2c(c1)N(C)CCO2	ZINC001602692291	971301924	/nfs/dbraw/zinc/30/19/24/971301924.db2.gz	KDNGVLWAGVOUAL-UHFFFAOYSA-N	-1	0	288.303	0.675	20	30		CCEDRM
C#CCN(CC(=O)[O-])C(=O)c1c[nH]nc1[C@H]1CCCO1	ZINC001602692224	971300722	/nfs/dbraw/zinc/30/07/22/971300722.db2.gz	HAZRLSPDFWQAFN-SNVBAGLBSA-N	-1	0	277.280	0.421	20	30		CCEDRM
C#CCN(CC(=O)[O-])c1nnc(-c2c[nH]cn2)n1CC	ZINC001602699084	971314827	/nfs/dbraw/zinc/31/48/27/971314827.db2.gz	IACDFGCBAWMYPT-UHFFFAOYSA-N	-1	0	274.284	0.212	20	30		CCEDRM
C#CCN(CC(=O)[O-])c1nnc([C@@H](C)c2ccccn2)n1C	ZINC001602700795	971321226	/nfs/dbraw/zinc/32/12/26/971321226.db2.gz	JRMJUZRTQAIRJD-NSHDSACASA-N	-1	0	299.334	0.886	20	30		CCEDRM
C#CCOCCCOC(=O)c1ccc(C(=O)[O-])cn1	ZINC001602702841	971331817	/nfs/dbraw/zinc/33/18/17/971331817.db2.gz	TXUSTOAJBMJNER-UHFFFAOYSA-N	-1	0	263.249	0.977	20	30		CCEDRM
C#CCOc1ccccc1NC(=O)[C@H](OC)C(=O)[O-]	ZINC001602704309	971334530	/nfs/dbraw/zinc/33/45/30/971334530.db2.gz	CISOYBAYQPYNLJ-NSHDSACASA-N	-1	0	263.249	0.737	20	30		CCEDRM
C=C(C)C[C@H](C)C(=O)N1CCS(=O)(=O)C[C@H]1C(=O)[O-]	ZINC001602706835	971339602	/nfs/dbraw/zinc/33/96/02/971339602.db2.gz	BSTMGBRIYAJMHZ-UWVGGRQHSA-N	-1	0	289.353	0.299	20	30		CCEDRM
C=C(C)C(C)(C)C(=O)N1CCO[C@@](COC)(C(=O)[O-])C1	ZINC001602707387	971343903	/nfs/dbraw/zinc/34/39/03/971343903.db2.gz	STJFGRDLTCCIGC-AWEZNQCLSA-N	-1	0	285.340	0.917	20	30		CCEDRM
C=C[C@H](OC(=O)c1ccc(C(=O)[O-])nc1)C(=O)OC	ZINC001602717129	971363629	/nfs/dbraw/zinc/36/36/29/971363629.db2.gz	ADLHFYBMFCBTQU-VIFPVBQESA-N	-1	0	265.221	0.664	20	30		CCEDRM
C=CC[C@@H](C)NC(=O)[C@@H]1CCCN(CC(=O)[O-])C1=O	ZINC001602718170	971373551	/nfs/dbraw/zinc/37/35/51/971373551.db2.gz	FCZCRGXCISWLEV-ZJUUUORDSA-N	-1	0	268.313	0.390	20	30		CCEDRM
C[C@](C#N)(CC(=O)[O-])C(=O)N1CCC2(CC1)OCCCO2	ZINC001602778355	971511376	/nfs/dbraw/zinc/51/13/76/971511376.db2.gz	GGFBGWVLMRIYCP-CYBMUJFWSA-N	-1	0	296.323	0.747	20	30		CCEDRM
C[C@@](C#N)(CC(=O)[O-])C(=O)N1CCN(CCCF)CC1	ZINC001602780749	971520708	/nfs/dbraw/zinc/52/07/08/971520708.db2.gz	MTNYUJWJFKZMJX-ZDUSSCGKSA-N	-1	0	285.319	0.495	20	30		CCEDRM
C[C@@](C#N)(CC(=O)[O-])C(=O)NCCC1(O)CCOCC1	ZINC001602781302	971522889	/nfs/dbraw/zinc/52/28/89/971522889.db2.gz	UWXMEYRDLXGGCZ-LBPRGKRZSA-N	-1	0	284.312	0.039	20	30		CCEDRM
C[C@H](C#N)N(C(=O)c1cccn(CC(=O)[O-])c1=O)C1CC1	ZINC001602786467	971535489	/nfs/dbraw/zinc/53/54/89/971535489.db2.gz	SOXHUZLKGNMPGV-SECBINFHSA-N	-1	0	289.291	0.450	20	30		CCEDRM
C#CCN(CC(=O)[O-])C(=O)c1cc(F)ccc1N	ZINC000092480408	949152117	/nfs/dbraw/zinc/15/21/17/949152117.db2.gz	HJHAGRSXSVUXHQ-UHFFFAOYSA-N	-1	0	250.229	0.568	20	30		CCEDRM
C#CCN(CC(=O)[O-])[C@@H](C)C(=O)NCc1ccco1	ZINC000092481894	949154810	/nfs/dbraw/zinc/15/48/10/949154810.db2.gz	BWHQYXNKIOUUOG-JTQLQIEISA-N	-1	0	264.281	0.304	20	30		CCEDRM
C#CCN(CC(=O)[O-])C(=O)NCC1CCOCC1	ZINC000092491717	949161953	/nfs/dbraw/zinc/16/19/53/949161953.db2.gz	YBMSGVRDXFVOMK-UHFFFAOYSA-N	-1	0	254.286	0.142	20	30		CCEDRM
C#CCN(CC(=O)[O-])C(=O)NCCCOCCCC	ZINC000160418272	949378196	/nfs/dbraw/zinc/37/81/96/949378196.db2.gz	SRGNTQUOTKYKCK-UHFFFAOYSA-N	-1	0	270.329	0.923	20	30		CCEDRM
C#CCN(CC1CC1)C(=O)NCC1(C(=O)[O-])CCOCC1	ZINC000161903044	949388184	/nfs/dbraw/zinc/38/81/84/949388184.db2.gz	VBOKONKCMJDDFT-UHFFFAOYSA-N	-1	0	294.351	0.923	20	30		CCEDRM
COCCN(CC(=O)[O-])c1cc(C#N)nc(C)n1	ZINC000308403098	950638608	/nfs/dbraw/zinc/63/86/08/950638608.db2.gz	IBDIHSPYLMDYSA-UHFFFAOYSA-N	-1	0	250.258	0.194	20	30		CCEDRM
C#CCN(CC(=O)[O-])C(=O)NCCCc1nccs1	ZINC000391074674	951393244	/nfs/dbraw/zinc/39/32/44/951393244.db2.gz	ZSMLTPIFMCCFOJ-UHFFFAOYSA-N	-1	0	281.337	0.805	20	30		CCEDRM
C#C[C@](C)(CC)NS(=O)(=O)c1c[nH]c(C(=O)[O-])c1	ZINC000384182558	971915393	/nfs/dbraw/zinc/91/53/93/971915393.db2.gz	QSHQNIHWMWDPMJ-LLVKDONJSA-N	-1	0	270.310	0.793	20	30		CCEDRM
C#C[C@](C)(CC)NS(=O)(=O)c1cc(C(=O)[O-])n(C)c1	ZINC000384161334	971913058	/nfs/dbraw/zinc/91/30/58/971913058.db2.gz	KAJUWCGQPGAERM-GFCCVEGCSA-N	-1	0	284.337	0.804	20	30		CCEDRM
C#CCCCCC(=O)N[C@@H](C(=O)[O-])c1ccnn1C	ZINC000402572664	953357790	/nfs/dbraw/zinc/35/77/90/953357790.db2.gz	FEOGWTDENAJAJR-GFCCVEGCSA-N	-1	0	263.297	0.856	20	30		CCEDRM
C[C@@H]1C[C@H](NC(=O)[C@](C)(C#N)CC(=O)[O-])[C@H](C)O1	ZINC001589289336	953586995	/nfs/dbraw/zinc/58/69/95/953586995.db2.gz	IOPZQVSXMQGNNI-ARHDFHRDSA-N	-1	0	254.286	0.673	20	30		CCEDRM
C[C@@H]1CC(NC(=O)C2(CC(=O)[O-])CCOCC2)=NO1	ZINC001589293674	953624196	/nfs/dbraw/zinc/62/41/96/953624196.db2.gz	PWNNQUULZKWOOO-MRVPVSSYSA-N	-1	0	270.285	0.496	20	30		CCEDRM
CN(C(=O)c1cc(C(=O)[O-])nn1C)C1(C#N)CCC1	ZINC001593683156	953974795	/nfs/dbraw/zinc/97/47/95/953974795.db2.gz	UZGCMWQKQZQBOF-UHFFFAOYSA-N	-1	0	262.269	0.637	20	30		CCEDRM
CN(CCCC(=O)[O-])C(=O)NCc1ccc(C#N)cn1	ZINC001593744967	954378253	/nfs/dbraw/zinc/37/82/53/954378253.db2.gz	XZLTZQCBHLQTDW-UHFFFAOYSA-N	-1	0	276.296	0.959	20	30		CCEDRM
COC(=O)[C@H](CNC(=O)[C@](C)(C#N)CC(=O)[O-])CC1CC1	ZINC001593806495	954910311	/nfs/dbraw/zinc/91/03/11/954910311.db2.gz	IFRRTFUVIJJPDQ-HZMBPMFUSA-N	-1	0	296.323	0.696	20	30		CCEDRM
Cc1onc(CC(=O)N2CC[C@@H](C)[C@@H](C(=O)[O-])C2)c1C#N	ZINC001594510218	955380000	/nfs/dbraw/zinc/38/00/00/955380000.db2.gz	JJXDKLFXRATDJV-KCJUWKMLSA-N	-1	0	291.307	0.966	20	30		CCEDRM
C[C@@H](CNC(=O)NCC#C[C@@H]1CCCCO1)C(=O)[O-]	ZINC001589052451	955675225	/nfs/dbraw/zinc/67/52/25/955675225.db2.gz	XNGBSUYEYQQHCN-QWRGUYRKSA-N	-1	0	268.313	0.579	20	30		CCEDRM
COC(=O)c1cccc(NC(=O)[C@](C)(C#N)CC(=O)[O-])n1	ZINC001593885864	955746688	/nfs/dbraw/zinc/74/66/88/955746688.db2.gz	PZNWGOKKPWXPOK-ZDUSSCGKSA-N	-1	0	291.263	0.811	20	30		CCEDRM
C[C@H](NC(=O)NCC#CCO)[C@@H]1C[C@H](C(=O)[O-])C1(C)C	ZINC001589102238	956009931	/nfs/dbraw/zinc/00/99/31/956009931.db2.gz	KQVNXICELLFAKK-GARJFASQSA-N	-1	0	282.340	0.417	20	30		CCEDRM
N#C[C@@]1(NC(=O)[C@@H]2CC[C@H]2C(=O)[O-])CCSC1	ZINC001594601551	956136313	/nfs/dbraw/zinc/13/63/13/956136313.db2.gz	CSRWQPOSVSRNTP-XLDPMVHQSA-N	-1	0	254.311	0.613	20	30		CCEDRM
N#CC1(C(=O)NCCOCCOCC(=O)[O-])CCCCC1	ZINC001594601600	956136394	/nfs/dbraw/zinc/13/63/94/956136394.db2.gz	NGGSUCGLKSXTFY-UHFFFAOYSA-N	-1	0	298.339	0.694	20	30		CCEDRM
N#CCCn1ccc(NC(=O)N[C@]2(C(=O)[O-])CCOC2)n1	ZINC001594609739	956194368	/nfs/dbraw/zinc/19/43/68/956194368.db2.gz	APWYDTFNDNUTFG-GFCCVEGCSA-N	-1	0	293.283	0.162	20	30		CCEDRM
N#Cc1cc(NCCOCC(=O)[O-])nc(C2CC2)n1	ZINC001594617828	956254596	/nfs/dbraw/zinc/25/45/96/956254596.db2.gz	YTPJLLIKKUDYFU-UHFFFAOYSA-N	-1	0	262.269	0.739	20	30		CCEDRM
N#Cc1ccc2c(c1)N(C(=O)[C@@H]1CC[C@H]1C(=O)[O-])CC(=O)N2	ZINC001594627833	956325490	/nfs/dbraw/zinc/32/54/90/956325490.db2.gz	XEIJFBPXQLBJCY-NXEZZACHSA-N	-1	0	299.286	0.954	20	30		CCEDRM
N#Cc1cccc2c1CCN2C(=O)[C@@H]1CC(C(=O)[O-])=NO1	ZINC001594628864	956338075	/nfs/dbraw/zinc/33/80/75/956338075.db2.gz	SNLSHAUGCWXAGS-LBPRGKRZSA-N	-1	0	285.259	0.677	20	30		CCEDRM
N#Cc1cn(CC(=O)[O-])c2ccc([N+](=O)[O-])cc2c1=O	ZINC001594633271	956358166	/nfs/dbraw/zinc/35/81/66/956358166.db2.gz	RGPIBWLFAASGKF-UHFFFAOYSA-N	-1	0	273.204	0.866	20	30		CCEDRM
CC(C)(C)[C@H](C(=O)[O-])C(=O)N1CCO[C@](C)(C#N)C1	ZINC001589181472	956524625	/nfs/dbraw/zinc/52/46/25/956524625.db2.gz	JEPVEDHESITFRR-TVQRCGJNSA-N	-1	0	268.313	0.874	20	30		CCEDRM
C[C@@]1(C#N)CN(C(=O)N[C@H]2CCC[C@H]2C(=O)[O-])CCO1	ZINC001589181871	956531021	/nfs/dbraw/zinc/53/10/21/956531021.db2.gz	SWJWNDMHAHYUTA-GBIKHYSHSA-N	-1	0	281.312	0.564	20	30		CCEDRM
C[C@](C#N)(CC(=O)[O-])C(=O)N[C@@H]1COC(C)(C)C1	ZINC001589210960	956686390	/nfs/dbraw/zinc/68/63/90/956686390.db2.gz	AUFCVRGOPDBYFH-QPUJVOFHSA-N	-1	0	254.286	0.675	20	30		CCEDRM
C[C@@](C#N)(CC(=O)[O-])C(=O)NCC[N@@H+]1CCC(C)(C)C1	ZINC001589226496	956802844	/nfs/dbraw/zinc/80/28/44/956802844.db2.gz	XJQXMBRJVJTHDG-AWEZNQCLSA-N	-1	0	281.356	0.839	20	30		CCEDRM
COCCN(CCC(=O)[O-])C(=O)[C@]1(C#N)CCCOC1	ZINC001594000791	956927018	/nfs/dbraw/zinc/92/70/18/956927018.db2.gz	DPCGWVMGMJUCRZ-ZDUSSCGKSA-N	-1	0	284.312	0.256	20	30		CCEDRM
COCCN(CCC(=O)[O-])C(=O)c1coc(C#N)c1	ZINC001594010482	956987341	/nfs/dbraw/zinc/98/73/41/956987341.db2.gz	NVPVQGCCIQDWIC-UHFFFAOYSA-N	-1	0	266.253	0.715	20	30		CCEDRM
C=CCNC(=O)NC(=O)COc1ccc(C(=O)[O-])cc1	ZINC000013412773	957054523	/nfs/dbraw/zinc/05/45/23/957054523.db2.gz	NIKIQMNZRVKQNF-UHFFFAOYSA-N	-1	0	278.264	0.775	20	30		CCEDRM
CO[C@H]1C[C@@H](COC(=O)[C@](C)(C#N)CC(=O)[O-])C1	ZINC001594045487	957915243	/nfs/dbraw/zinc/91/52/43/957915243.db2.gz	GXOMNDDSRUEKEW-SBMIAAHKSA-N	-1	0	255.270	0.959	20	30		CCEDRM
COc1cc(C#N)ccc1C(=O)N[C@]1(C(=O)[O-])CCOC1	ZINC001594049349	957965030	/nfs/dbraw/zinc/96/50/30/957965030.db2.gz	NYCPYEIWTFLEBG-CQSZACIVSA-N	-1	0	290.275	0.540	20	30		CCEDRM
C#C[C@@H](NC(=O)[C@@H]1CCCN(CC(=O)[O-])C1=O)C(C)C	ZINC001588387891	957990498	/nfs/dbraw/zinc/99/04/98/957990498.db2.gz	MUYBMZVDJPKNOD-WDEREUQCSA-N	-1	0	280.324	0.084	20	30		CCEDRM
C#C[C@@H](CC)NC(=O)N1C[C@@H]2COC[C@]2(C(=O)[O-])C1	ZINC001588388211	957991859	/nfs/dbraw/zinc/99/18/59/957991859.db2.gz	QEDBRXFRCGPLPS-GBIKHYSHSA-N	-1	0	266.297	0.141	20	30		CCEDRM
C#CC[C@@H](CCOC)NC(=O)c1cnc(C(=O)[O-])cn1	ZINC001588389048	958002793	/nfs/dbraw/zinc/00/27/93/958002793.db2.gz	LCSCUFDXVJUOST-VIFPVBQESA-N	-1	0	277.280	0.333	20	30		CCEDRM
C#CC[C@@H](COC)NC(=O)[C@@]1(C(=O)[O-])CC1(C)C	ZINC001588389080	958004262	/nfs/dbraw/zinc/00/42/62/958004262.db2.gz	LXGPHNMILNTERK-TVQRCGJNSA-N	-1	0	253.298	0.642	20	30		CCEDRM
C#CC[C@H](CCOC)NC(=O)[C@@](C)(OC)C(=O)[O-]	ZINC001588389567	958010114	/nfs/dbraw/zinc/01/01/14/958010114.db2.gz	WYPJDSPOTSRRPY-BXKDBHETSA-N	-1	0	257.286	0.021	20	30		CCEDRM
C#CCCN(CCOC)C(=O)[C@@H]1CO[C@@H](CCC(=O)[O-])C1	ZINC001588390784	958013213	/nfs/dbraw/zinc/01/32/13/958013213.db2.gz	IGWNOZVLEDAXSZ-STQMWFEESA-N	-1	0	297.351	0.755	20	30		CCEDRM
C#CCN(CC(=O)[O-])C(=O)C(=O)Nc1cc(C#N)ccc1C	ZINC001588396366	958049304	/nfs/dbraw/zinc/04/93/04/958049304.db2.gz	YHIQVTAUCSYJHF-UHFFFAOYSA-N	-1	0	299.286	0.352	20	30		CCEDRM
C#CCN(CC(=O)[O-])C(=O)[C@H]1CC(=O)N(C(C)(C)C)C1	ZINC001588398886	958069931	/nfs/dbraw/zinc/06/99/31/958069931.db2.gz	DGSSSZHZBPRJEJ-JTQLQIEISA-N	-1	0	280.324	0.180	20	30		CCEDRM
C#CCN(CC(=O)[O-])C(=O)Cc1cccc(OCC)n1	ZINC001588406705	958096325	/nfs/dbraw/zinc/09/63/25/958096325.db2.gz	CXDSJZSDLUQMMZ-UHFFFAOYSA-N	-1	0	276.292	0.569	20	30		CCEDRM
C#CCN(CC(=O)[O-])C(=O)CO[C@@H](C)c1nccn1C	ZINC001588406742	958096615	/nfs/dbraw/zinc/09/66/15/958096615.db2.gz	DKWWFIZMXGWSPF-JTQLQIEISA-N	-1	0	279.296	0.044	20	30		CCEDRM
C#CCN(CC(=O)[O-])C(=O)Nc1cnn(C)c1C(F)F	ZINC001588412736	958153752	/nfs/dbraw/zinc/15/37/52/958153752.db2.gz	JAFIRXCAVLFMBV-UHFFFAOYSA-N	-1	0	286.238	0.909	20	30		CCEDRM
C#CCNCC(=O)Nc1cccc(OCC(=O)[O-])c1	ZINC000092493443	958166199	/nfs/dbraw/zinc/16/61/99/958166199.db2.gz	PQWDWTYBRBYAQJ-UHFFFAOYSA-N	-1	0	262.265	0.311	20	30		CCEDRM
Cc1cc(NCCNC(=O)[C@@](C)(C#N)CC(=O)[O-])n(C)n1	ZINC001594325911	958173585	/nfs/dbraw/zinc/17/35/85/958173585.db2.gz	UDHBKXJGTWQWAE-CYBMUJFWSA-N	-1	0	293.327	0.261	20	30		CCEDRM
C#CCN(CC(=O)[O-])C(=O)c1cn2c(n1)C[C@@H](OC)CC2	ZINC001588418458	958179456	/nfs/dbraw/zinc/17/94/56/958179456.db2.gz	HEFVYHGHSLJUPH-JTQLQIEISA-N	-1	0	291.307	0.004	20	30		CCEDRM
C[C@H]1[C@@H](C(=O)[O-])CCN1C(=O)c1ccc(C#N)cn1	ZINC000092917154	958182340	/nfs/dbraw/zinc/18/23/40/958182340.db2.gz	BOJDBESAWMQCBE-WPRPVWTQSA-N	-1	0	259.265	0.888	20	30		CCEDRM
C#CCN(CC(=O)[O-])[C@@H]1C[C@H]2CCCC[C@@H]2NC1=O	ZINC001588419675	958194286	/nfs/dbraw/zinc/19/42/86/958194286.db2.gz	ASQLPIRDRNGCJC-GRYCIOLGSA-N	-1	0	264.325	0.454	20	30		CCEDRM
C#CCN(CC(=O)[O-])[C@H](C(=O)OC)c1cccnc1	ZINC001588419882	958196391	/nfs/dbraw/zinc/19/63/91/958196391.db2.gz	FZHABUDSQISCER-LBPRGKRZSA-N	-1	0	262.265	0.316	20	30		CCEDRM
C#CCN(CC(=O)[O-])Cc1ccc2c(c1)nnn2C	ZINC001588423660	958207216	/nfs/dbraw/zinc/20/72/16/958207216.db2.gz	BPVVBMAUQKNTGZ-UHFFFAOYSA-N	-1	0	258.281	0.488	20	30		CCEDRM
C#CCN(CC(=O)[O-])C[C@@H](O)c1ccc([N+](=O)[O-])cc1	ZINC001588424282	958213381	/nfs/dbraw/zinc/21/33/81/958213381.db2.gz	NHWWRHTYUWIEQB-GFCCVEGCSA-N	-1	0	278.264	0.648	20	30		CCEDRM
C#CCN(CC(=O)[O-])c1nnc(-c2cccnn2)n1CC	ZINC001588426170	958227883	/nfs/dbraw/zinc/22/78/83/958227883.db2.gz	AWKNAMWLGYBUSJ-UHFFFAOYSA-N	-1	0	286.295	0.279	20	30		CCEDRM
C#CCN(CC(=O)[O-])c1nnc(CC2CC(O)C2)n1CC	ZINC001588427415	958246787	/nfs/dbraw/zinc/24/67/87/958246787.db2.gz	WRAZXOLERSAONF-UHFFFAOYSA-N	-1	0	292.339	0.136	20	30		CCEDRM
C#CCN1CCC[C@H](NC(=O)[C@H]2CC[C@@H](C(=O)[O-])C2)C1	ZINC001588430537	958258397	/nfs/dbraw/zinc/25/83/97/958258397.db2.gz	NAPWOZATJAGPHN-XQQFMLRXSA-N	-1	0	278.352	0.701	20	30		CCEDRM
C#CCOCCc1nc(C2(C(=O)[O-])CCC2)no1	ZINC001588431788	958274492	/nfs/dbraw/zinc/27/44/92/958274492.db2.gz	XQHPGQSESONAOL-UHFFFAOYSA-N	-1	0	250.254	0.768	20	30		CCEDRM
C#CCn1ccc(CN(CCCC(=O)[O-])CCOC)n1	ZINC001588433010	958290804	/nfs/dbraw/zinc/29/08/04/958290804.db2.gz	KCGWVINZXLWQFV-UHFFFAOYSA-N	-1	0	279.340	0.830	20	30		CCEDRM
Cc1ccc(C#N)cc1NC(=O)C(=O)N[C@@H](C)CC(=O)[O-]	ZINC001594342570	958304723	/nfs/dbraw/zinc/30/47/23/958304723.db2.gz	FSBISVWUBWLSGK-VIFPVBQESA-N	-1	0	289.291	0.785	20	30		CCEDRM
C=C(C)CN(C)C(=O)[C@@H]1CCCN(CC(=O)[O-])C1=O	ZINC001588441003	958332615	/nfs/dbraw/zinc/33/26/15/958332615.db2.gz	BQXVIBKXAAEEHV-JTQLQIEISA-N	-1	0	268.313	0.344	20	30		CCEDRM
C=C(C)C[C@@H](NC(C)=O)C(=O)N[C@@H](CC)C(=O)[O-]	ZINC001588442585	958345664	/nfs/dbraw/zinc/34/56/64/958345664.db2.gz	SQDMACYCJWZLDC-VHSXEESVSA-N	-1	0	256.302	0.437	20	30		CCEDRM
C=C(C)C[C@H](NC(C)=O)C(=O)NC[C@@H](C)C(=O)[O-]	ZINC001588442690	958347812	/nfs/dbraw/zinc/34/78/12/958347812.db2.gz	VFXNNIVCPLMVCP-SCZZXKLOSA-N	-1	0	256.302	0.294	20	30		CCEDRM
C=C(C)Cn1cc(CN2CCC[C@@H]2C(=O)[O-])nn1	ZINC001588443489	958354000	/nfs/dbraw/zinc/35/40/00/958354000.db2.gz	RSDZJPSOSHEFJX-LLVKDONJSA-N	-1	0	250.302	0.903	20	30		CCEDRM
C=C(CCC(=O)OC)C(=O)NC[C@H](CC)C(=O)[O-]	ZINC001588444792	958366092	/nfs/dbraw/zinc/36/60/92/958366092.db2.gz	RVPGBCFURCYGGN-VIFPVBQESA-N	-1	0	257.286	0.723	20	30		CCEDRM
C=CC[C@@H](NC(=O)C1(C(=O)[O-])CCC1)C(=O)OCC	ZINC001588453161	958433090	/nfs/dbraw/zinc/43/30/90/958433090.db2.gz	QZOPJHLODWKXSS-SECBINFHSA-N	-1	0	269.297	0.865	20	30		CCEDRM
C=CC[C@@H](CC)NC(=O)[C@H]1CCCN(CC(=O)[O-])C1=O	ZINC001588453473	958437799	/nfs/dbraw/zinc/43/77/99/958437799.db2.gz	XZOHHOXKHRBCCC-GHMZBOCLSA-N	-1	0	282.340	0.781	20	30		CCEDRM
C#CCN(CC(=O)[O-])C(=O)c1ccc(NC(=O)C=C)cc1	ZINC001573321555	958482662	/nfs/dbraw/zinc/48/26/62/958482662.db2.gz	YVVZTQAOEMJLAX-UHFFFAOYSA-N	-1	0	286.287	0.971	20	30		CCEDRM
C=CCN1CC[C@@H](N(C)C(=O)[C@@H]2CC[C@H]2C(=O)[O-])C1=O	ZINC001588464293	958491130	/nfs/dbraw/zinc/49/11/30/958491130.db2.gz	NFVWCQLDEWVEMW-GMTAPVOTSA-N	-1	0	280.324	0.343	20	30		CCEDRM
C=CCOC[C@H]1NC(=O)N(C[C@H](CC)C(=O)[O-])C1=O	ZINC001588465059	958494821	/nfs/dbraw/zinc/49/48/21/958494821.db2.gz	FUSWSXXGXVZBOC-DTWKUNHWSA-N	-1	0	270.285	0.220	20	30		CCEDRM
C=CCNc1ncc(C(=O)N[C@@]2(C(=O)[O-])CCOC2)s1	ZINC001588465092	958496723	/nfs/dbraw/zinc/49/67/23/958496723.db2.gz	IBQGCBDWDYGGNO-LBPRGKRZSA-N	-1	0	297.336	0.715	20	30		CCEDRM
C=CCN1CC[C@@H](OC(=O)C(C)(C)C(=O)[O-])C1=O	ZINC001588465643	958507082	/nfs/dbraw/zinc/50/70/82/958507082.db2.gz	VUCSUTBWIMHCED-MRVPVSSYSA-N	-1	0	255.270	0.427	20	30		CCEDRM
C=C[C@@H]1OCC[C@H]1NC(=O)[C@@]1(C(=O)[O-])CC1(C)C	ZINC001573339459	958530196	/nfs/dbraw/zinc/53/01/96/958530196.db2.gz	DMKCBRBLAYPFFE-VYUIOLGVSA-N	-1	0	253.298	0.947	20	30		CCEDRM
C[C@](C#N)(CC(=O)[O-])C(=O)Nc1cnc2c(c1)CNC2=O	ZINC001573364772	958617780	/nfs/dbraw/zinc/61/77/80/958617780.db2.gz	QRSUMBILSBDEEO-CYBMUJFWSA-N	-1	0	288.263	0.268	20	30		CCEDRM
C[C@](C#N)(CC(=O)[O-])C(=O)N1CC(C2CCOCC2)C1	ZINC001588534049	958914676	/nfs/dbraw/zinc/91/46/76/958914676.db2.gz	DMCXSHFTUUGNMP-CQSZACIVSA-N	-1	0	280.324	0.876	20	30		CCEDRM
C[C@](C#N)(CC(=O)[O-])C(=O)N1CC[C@H](N2CCOC2=O)C1	ZINC001588534924	958925640	/nfs/dbraw/zinc/92/56/40/958925640.db2.gz	KZKSUDVWZZNMDY-TVQRCGJNSA-N	-1	0	295.295	0.044	20	30		CCEDRM
C[C@](C#N)(CC(=O)[O-])C(=O)N1CC[C@H]2CC[C@@H](C1)[S@]2=O	ZINC001588534964	958926861	/nfs/dbraw/zinc/92/68/61/958926861.db2.gz	LHDUMEQUGBRROZ-RLONLNJASA-N	-1	0	298.364	0.503	20	30		CCEDRM
C[C@@](C#N)(CC(=O)[O-])C(=O)N1CC[C@H]2CC[C@@H](C1)[S@]2=O	ZINC001588534956	958927222	/nfs/dbraw/zinc/92/72/22/958927222.db2.gz	LHDUMEQUGBRROZ-MAVMCYKLSA-N	-1	0	298.364	0.503	20	30		CCEDRM
C[C@@](C#N)(CC(=O)[O-])C(=O)N1CCc2cc[nH]c(=O)c2C1	ZINC001588537953	958937965	/nfs/dbraw/zinc/93/79/65/958937965.db2.gz	ANSAWNMSAXHEEE-AWEZNQCLSA-N	-1	0	289.291	0.676	20	30		CCEDRM
C[C@@](C#N)(CC(=O)[O-])C(=O)N1CCO[C@H](C(=O)C2CC2)C1	ZINC001588538585	958942583	/nfs/dbraw/zinc/94/25/83/958942583.db2.gz	KTQHJZPFDPCUGW-HZMBPMFUSA-N	-1	0	294.307	0.197	20	30		CCEDRM
C[C@](C#N)(CC(=O)[O-])C(=O)N1CCn2cccc2C1	ZINC001588539045	958949816	/nfs/dbraw/zinc/94/98/16/958949816.db2.gz	VBCFPNHRGQLRBC-CYBMUJFWSA-N	-1	0	261.281	0.835	20	30		CCEDRM
CC(C)(C)n1ncnc1CNC(=O)[C@@](C)(C#N)CC(=O)[O-]	ZINC001588542299	958970797	/nfs/dbraw/zinc/97/07/97/958970797.db2.gz	VRHKEDQQIIOYJO-CYBMUJFWSA-N	-1	0	293.327	0.654	20	30		CCEDRM
C[C@@H](C#N)CNC(=O)NC[C@@H]1CCC2(CC(C(=O)[O-])C2)O1	ZINC001588543453	958979199	/nfs/dbraw/zinc/97/91/99/958979199.db2.gz	MDWHZJPIZCIGGI-OZAVNUTGSA-N	-1	0	295.339	0.858	20	30		CCEDRM
C[C@H](C#N)OCCOC(=O)[C@]1(C(=O)[O-])CC1(C)C	ZINC001588543654	958982010	/nfs/dbraw/zinc/98/20/10/958982010.db2.gz	PCHONVLJQKLKBN-PRHODGIISA-N	-1	0	255.270	0.959	20	30		CCEDRM
C[C@@H](C#N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)[O-]	ZINC001588543821	958983998	/nfs/dbraw/zinc/98/39/98/958983998.db2.gz	TTWGDLNLSOCCFS-KWQFWETISA-N	-1	0	262.265	0.664	20	30		CCEDRM
C[C@H](C#N)OCCOC(=O)C1(C(=O)[O-])CC=CC1	ZINC001588544078	958986971	/nfs/dbraw/zinc/98/69/71/958986971.db2.gz	YSMWKSQLVUQTMV-SECBINFHSA-N	-1	0	253.254	0.879	20	30		CCEDRM
C[C@](C#N)(CC(=O)[O-])C(=O)NC[C@H]1CCC=CO1	ZINC001588556363	959055951	/nfs/dbraw/zinc/05/59/51/959055951.db2.gz	BTXVYAHDMRHUOV-BXKDBHETSA-N	-1	0	252.270	0.800	20	30		CCEDRM
C[S@](=O)c1ccc(C=NNCCC(=O)[O-])cc1	ZINC001594178761	959062619	/nfs/dbraw/zinc/06/26/19/959062619.db2.gz	OTMMPXXPDHDNSH-KRWDZBQOSA-N	-1	0	254.311	0.822	20	30		CCEDRM
C[C@](C#N)(CC(=O)[O-])C(=O)NCCC1(O)CCC1	ZINC001588557712	959071628	/nfs/dbraw/zinc/07/16/28/959071628.db2.gz	KFLLQOKRWGFRNJ-LLVKDONJSA-N	-1	0	254.286	0.412	20	30		CCEDRM
C[C@H](C[N@H+](C)Cc1cc(=O)n2[n-]cc(C#N)c2n1)C(=O)[O-]	ZINC001573587851	959376186	/nfs/dbraw/zinc/37/61/86/959376186.db2.gz	AUMIJNGMVUHYKC-MRVPVSSYSA-N	-1	0	289.295	0.459	20	30		CCEDRM
CC(C)(C#N)C(=O)N1C[C@H]2COC[C@@]2(C(=O)[O-])C1	ZINC001588607291	959484645	/nfs/dbraw/zinc/48/46/45/959484645.db2.gz	RXIKLSQKJMELKT-UFBFGSQYSA-N	-1	0	252.270	0.096	20	30		CCEDRM
C[C@@](O)(CNC(=O)[C@]1(C#N)CC2CCC1CC2)C(=O)[O-]	ZINC001603256344	972441070	/nfs/dbraw/zinc/44/10/70/972441070.db2.gz	OZJGWOYPVGJLCN-FEZLSPKCSA-N	-1	0	280.324	0.658	20	30		CCEDRM
C[C@@](C#N)(CC(=O)[O-])C(=O)N1CCO[C@@](C)(C#N)C1	ZINC001573643837	959628681	/nfs/dbraw/zinc/62/86/81/959628681.db2.gz	SMQNQLHYCDRIMN-RYUDHWBXSA-N	-1	0	265.269	0.132	20	30		CCEDRM
C[C@@]1(C#N)CN(C(=O)[C@H]2CC[C@H]2C(=O)[O-])CCO1	ZINC001573645683	959639699	/nfs/dbraw/zinc/63/96/99/959639699.db2.gz	JPGCMBLEGLAJIV-YGOYTEALSA-N	-1	0	252.270	0.238	20	30		CCEDRM
C=C(C)CN(CC)C(=O)CN1CCSC[C@H]1C(=O)[O-]	ZINC000215577421	959753230	/nfs/dbraw/zinc/75/32/30/959753230.db2.gz	PLBJWJCIBGHJQL-NSHDSACASA-N	-1	0	286.397	0.913	20	30		CCEDRM
Cc1csc(C(=O)[O-])c1S(=O)(=O)N(CC#N)CC#N	ZINC000226463477	959879555	/nfs/dbraw/zinc/87/95/55/959879555.db2.gz	KLUATRZZBIXGOW-UHFFFAOYSA-N	-1	0	299.333	0.793	20	30		CCEDRM
CC(C)[C@H](C(=O)[O-])C(=O)O[C@@H](C)C(=O)NC1(C#N)CCC1	ZINC001603268363	972465468	/nfs/dbraw/zinc/46/54/68/972465468.db2.gz	HGSVRFXSCOMJSR-VHSXEESVSA-N	-1	0	296.323	0.837	20	30		CCEDRM
CC(C)[C@@H](C(=O)[O-])C(=O)O[C@@H](C)C(=O)NC1(C#N)CCC1	ZINC001603268361	972465476	/nfs/dbraw/zinc/46/54/76/972465476.db2.gz	HGSVRFXSCOMJSR-UWVGGRQHSA-N	-1	0	296.323	0.837	20	30		CCEDRM
N#Cc1ccc(N2C[C@H](O)C[C@H]2C(=O)[O-])cc1[N+](=O)[O-]	ZINC000227310803	959942819	/nfs/dbraw/zinc/94/28/19/959942819.db2.gz	FEKSWJUPJIDTFC-KOLCDFICSA-N	-1	0	277.236	0.491	20	30		CCEDRM
C#C[C@H](CCC)NS(=O)(=O)N1CCC(C(=O)[O-])CC1	ZINC000229873203	960099805	/nfs/dbraw/zinc/09/98/05/960099805.db2.gz	GBYHXDLQRSYYSS-LLVKDONJSA-N	-1	0	288.369	0.419	20	30		CCEDRM
C[C@](O)(CNC(=O)[C@@H]1C[C@H]1c1cccc(C#N)c1)C(=O)[O-]	ZINC001571034444	960502833	/nfs/dbraw/zinc/50/28/33/960502833.db2.gz	HJDGMVSBDTYYRG-ZOWXZIJZSA-N	-1	0	288.303	0.614	20	30		CCEDRM
C#CC[C@H](NC(=O)c1ccnc(F)c1F)C(=O)[O-]	ZINC000236449506	960618744	/nfs/dbraw/zinc/61/87/44/960618744.db2.gz	HNQCLGIFQKWTAV-ZETCQYMHSA-N	-1	0	254.192	0.566	20	30		CCEDRM
Cc1c(C(=O)Nc2n[nH]cc2C(=O)[O-])cnn1CCC#N	ZINC001574297752	960702672	/nfs/dbraw/zinc/70/26/72/960702672.db2.gz	DLBBDSBQTWRBOY-UHFFFAOYSA-N	-1	0	288.267	0.779	20	30		CCEDRM
CC(C)(CC#N)COC(=O)[C@@H]1CCCN(CC(=O)[O-])C1=O	ZINC001588755018	961218647	/nfs/dbraw/zinc/21/86/47/961218647.db2.gz	XPLPJDJPXAQVBO-SNVBAGLBSA-N	-1	0	296.323	0.793	20	30		CCEDRM
Cc1nc([C@H]2CCN(C(=O)[C@](C)(C#N)CC(=O)[O-])C2)no1	ZINC001574417960	961336075	/nfs/dbraw/zinc/33/60/75/961336075.db2.gz	ZIRNQMXZXRHHDY-ZANVPECISA-N	-1	0	292.295	0.699	20	30		CCEDRM
CC(C)[C@H](C(=O)[O-])C(=O)NCC1CCN(CC#N)CC1	ZINC001588805123	961472404	/nfs/dbraw/zinc/47/24/04/961472404.db2.gz	OXUSTOIVRGQYOV-LBPRGKRZSA-N	-1	0	281.356	0.695	20	30		CCEDRM
C=CCCn1cc(CN2CC[C@@](F)(C(=O)[O-])C2)nn1	ZINC001333121542	961643115	/nfs/dbraw/zinc/64/31/15/961643115.db2.gz	KIUXCEKUKRNAFA-LBPRGKRZSA-N	-1	0	268.292	0.853	20	30		CCEDRM
N#Cc1c[nH]c(C(=O)N2C[C@H]3COC[C@@]3(C(=O)[O-])C2)c1	ZINC001574480014	961656405	/nfs/dbraw/zinc/65/64/05/961656405.db2.gz	TZEOWVAWRKHSEQ-ZANVPECISA-N	-1	0	275.264	0.060	20	30		CCEDRM
N#CC1CCC(CNC(=O)c2cn(CC(=O)[O-])nn2)CC1	ZINC001574480053	961656462	/nfs/dbraw/zinc/65/64/62/961656462.db2.gz	BADKKHPUARYFOK-UHFFFAOYSA-N	-1	0	291.311	0.422	20	30		CCEDRM
N#CCC1CCN(C(=O)[C@H]2CC(C(=O)[O-])=NO2)CC1	ZINC001574480019	961656622	/nfs/dbraw/zinc/65/66/22/961656622.db2.gz	AAQSFYKWIVULJX-SNVBAGLBSA-N	-1	0	265.269	0.368	20	30		CCEDRM
N#Cc1cc(N[C@H]2CCCCN(CC(=O)[O-])C2=O)ncn1	ZINC001574486264	961683869	/nfs/dbraw/zinc/68/38/69/961683869.db2.gz	TZPVHNJVQRQSLQ-JTQLQIEISA-N	-1	0	289.295	0.226	20	30		CCEDRM
N#Cc1ccsc1NC(=O)N[C@@]1(C(=O)[O-])CCOC1	ZINC001574494065	961724286	/nfs/dbraw/zinc/72/42/86/961724286.db2.gz	VDZXFYGOWKWKII-NSHDSACASA-N	-1	0	281.293	0.985	20	30		CCEDRM
CN(C(=O)[C@](C)(C#N)CC(=O)[O-])[C@@H]1CCC[C@H]1O	ZINC001573980302	961767729	/nfs/dbraw/zinc/76/77/29/961767729.db2.gz	SKEHWBHCSDCENK-LNLATYFQSA-N	-1	0	254.286	0.363	20	30		CCEDRM
CN1CCn2nc(NC(=O)[C@](C)(C#N)CC(=O)[O-])cc2C1	ZINC001574031653	962027235	/nfs/dbraw/zinc/02/72/35/962027235.db2.gz	BBFMFNSOFAFLDL-ZDUSSCGKSA-N	-1	0	291.311	0.272	20	30		CCEDRM
COC(=O)CCN(CC#N)C(=O)[C@H]1CC[C@H]1C(=O)[O-]	ZINC001574054804	962166809	/nfs/dbraw/zinc/16/68/09/962166809.db2.gz	GUYGYXWVHSDDIG-DTWKUNHWSA-N	-1	0	268.269	0.012	20	30		CCEDRM
COC(=O)CSCCNC(=O)[C@@](C)(C#N)CC(=O)[O-]	ZINC001574070121	962247495	/nfs/dbraw/zinc/24/74/95/962247495.db2.gz	SDXPVCULEMDLSM-LLVKDONJSA-N	-1	0	288.325	0.013	20	30		CCEDRM
COC(=O)c1ccc(NC(=O)[C@](C)(C#N)CC(=O)[O-])cn1	ZINC001574087647	962337974	/nfs/dbraw/zinc/33/79/74/962337974.db2.gz	WXJAPFLIYSTBBI-ZDUSSCGKSA-N	-1	0	291.263	0.811	20	30		CCEDRM
C#CCCCC(=O)NC[C@@H](NC(=O)CNC(=O)[O-])C1CC1	ZINC001573302774	962660805	/nfs/dbraw/zinc/66/08/05/962660805.db2.gz	FQZHKFLXQCMNLR-LLVKDONJSA-N	-1	0	295.339	0.069	20	30		CCEDRM
C#CC[C@H](NC(=O)c1coc(-c2cccnc2)n1)C(=O)[O-]	ZINC001573302970	962666139	/nfs/dbraw/zinc/66/61/39/962666139.db2.gz	IJOPBZRANPXJTO-JTQLQIEISA-N	-1	0	285.259	0.943	20	30		CCEDRM
C#CC[C@@H](NC(=O)c1nncc2ccccc21)C(=O)[O-]	ZINC001573303754	962681588	/nfs/dbraw/zinc/68/15/88/962681588.db2.gz	RVQJWQJDIURZFO-LLVKDONJSA-N	-1	0	269.260	0.836	20	30		CCEDRM
C#CCC1(NC(=O)[C@H]2C[C@@H](C)[C@H](C(=O)[O-])O2)CCOCC1	ZINC001573304011	962684485	/nfs/dbraw/zinc/68/44/85/962684485.db2.gz	WRRSXLRMLRZSNR-IJLUTSLNSA-N	-1	0	295.335	0.553	20	30		CCEDRM
C=C(C)C[C@@H](CO)NS(=O)(=O)c1c[nH]c(C(=O)[O-])c1	ZINC001573320936	962753359	/nfs/dbraw/zinc/75/33/59/962753359.db2.gz	GUQJWUGDVJFZIW-QMMMGPOBSA-N	-1	0	288.325	0.318	20	30		CCEDRM
C=C(C)[C@@H](CC(=O)N[C@H]1CCO[C@H]1C(=O)[O-])OCC	ZINC001573322232	962767963	/nfs/dbraw/zinc/76/79/63/962767963.db2.gz	WFCXOGZXVUIUQT-HOSYDEDBSA-N	-1	0	271.313	0.716	20	30		CCEDRM
C=C(C)CCC(=O)NC[C@@H](C)N(C)C(=O)CNC(=O)[O-]	ZINC001573323854	962777150	/nfs/dbraw/zinc/77/71/50/962777150.db2.gz	IRAINGDPSQYECG-SNVBAGLBSA-N	-1	0	285.344	0.573	20	30		CCEDRM
C#CCSCC(=O)N1C[C@@H](C(=O)[O-])[C@H](C2CC2)C1	ZINC001573327737	962809304	/nfs/dbraw/zinc/80/93/04/962809304.db2.gz	VDCKYSOQGUGEGO-WDEREUQCSA-N	-1	0	267.350	0.922	20	30		CCEDRM
C[C@H](CC(=O)[O-])NC(=O)C#Cc1ccc2c(c1)OCO2	ZINC001588994564	962830860	/nfs/dbraw/zinc/83/08/60/962830860.db2.gz	WIMLWWWELAGSJW-SECBINFHSA-N	-1	0	275.260	0.746	20	30		CCEDRM
COc1cc(NC(=O)[C@](C)(C#N)CC(=O)[O-])n(C)n1	ZINC001574186073	962834664	/nfs/dbraw/zinc/83/46/64/962834664.db2.gz	JIIHSZUVPPEERS-NSHDSACASA-N	-1	0	266.257	0.372	20	30		CCEDRM
C=C(Cl)CN1CC[C@@H](NC(=O)CNC(=O)[O-])C[C@@H]1C	ZINC001573338458	962875494	/nfs/dbraw/zinc/87/54/94/962875494.db2.gz	BKMQENPIZVBUDQ-VHSXEESVSA-N	-1	0	289.763	0.976	20	30		CCEDRM
C=C(Cl)C[NH2+][C@H]1C[C@H](NC(=O)CNC(=O)[O-])C1	ZINC001573344143	962913087	/nfs/dbraw/zinc/91/30/87/962913087.db2.gz	PKYUITAGDAGAAX-ZKCHVHJHSA-N	-1	0	261.709	0.243	20	30		CCEDRM
C=C1CC(C)(C(=O)N[C@@H](C)CCNC(=O)CNC(=O)[O-])C1	ZINC001573344363	962915901	/nfs/dbraw/zinc/91/59/01/962915901.db2.gz	UVUWGYPOYMMQAF-JTQLQIEISA-N	-1	0	297.355	0.621	20	30		CCEDRM
C=C[C@@](C)(CC)C(=O)N1CC[C@H](NC(=O)CNC(=O)[O-])C1	ZINC001573346967	962944219	/nfs/dbraw/zinc/94/42/19/962944219.db2.gz	IFRUGKJVCGXXHB-HZMBPMFUSA-N	-1	0	297.355	0.573	20	30		CCEDRM
C=CCN(CC(=O)OCC)C(=O)[C@H]1C[C@@H](C)[C@H](C(=O)[O-])O1	ZINC001573360079	963032399	/nfs/dbraw/zinc/03/23/99/963032399.db2.gz	GCFDVXKMPXHVBD-CKYFFXLPSA-N	-1	0	299.323	0.442	20	30		CCEDRM
C=CCOC[C@H](NC(=O)CCC(C)(C)[N+](=O)[O-])C(=O)[O-]	ZINC001573368133	963074935	/nfs/dbraw/zinc/07/49/35/963074935.db2.gz	ATONCPAYNQSRAQ-VIFPVBQESA-N	-1	0	288.300	0.594	20	30		CCEDRM
C=CCOC[C@H](NCc1cc(C(=O)[O-])n(C)c1)C(=O)OC	ZINC001573368973	963090051	/nfs/dbraw/zinc/09/00/51/963090051.db2.gz	MVYYRSBTDHOJFZ-NSHDSACASA-N	-1	0	296.323	0.557	20	30		CCEDRM
Cc1cc(C(=O)[O-])oc1C(=O)N1CC(O)(CC#N)C1	ZINC001570984051	963107550	/nfs/dbraw/zinc/10/75/50/963107550.db2.gz	UZIRPUGCSAZSEA-UHFFFAOYSA-N	-1	0	264.237	0.387	20	30		CCEDRM
C=C(Cl)CN1CC(CNC(=O)[C@H]2C[C@H]2C(=O)[O-])C1	ZINC001570999573	963209106	/nfs/dbraw/zinc/20/91/06/963209106.db2.gz	IOFBYJCLJWRMTM-VHSXEESVSA-N	-1	0	272.732	0.508	20	30		CCEDRM
Cn1cc(C#N)c(NC(=O)N[C@H]2CC[C@@H](C(=O)[O-])C2)n1	ZINC001571005923	963247736	/nfs/dbraw/zinc/24/77/36/963247736.db2.gz	JQVIRCZNMMLZOZ-APPZFPTMSA-N	-1	0	277.284	0.667	20	30		CCEDRM
N#Cc1cscc1C(=O)NC1(C(=O)[O-])CCOCC1	ZINC001571013877	963305640	/nfs/dbraw/zinc/30/56/40/963305640.db2.gz	RZPRBCKPRVCWGJ-UHFFFAOYSA-N	-1	0	280.305	0.983	20	30		CCEDRM
Cc1nc(N2C[C@H](O)C[C@H]2C(=O)[O-])c(Cl)cc1C#N	ZINC000311696200	963503826	/nfs/dbraw/zinc/50/38/26/963503826.db2.gz	LDWZQKYVMARXQM-SCZZXKLOSA-N	-1	0	281.699	0.939	20	30		CCEDRM
CC(=O)N[C@@H](CSc1ccc(C#N)c(C)n1)C(=O)[O-]	ZINC000311859453	963517471	/nfs/dbraw/zinc/51/74/71/963517471.db2.gz	QNRPINGMHFFPKR-JTQLQIEISA-N	-1	0	279.321	0.943	20	30		CCEDRM
N#Cc1ncccc1S(=O)(=O)N[C@@H](CC1CC1)C(=O)[O-]	ZINC000312238636	963546647	/nfs/dbraw/zinc/54/66/47/963546647.db2.gz	JJVDVANDNMCLBD-VIFPVBQESA-N	-1	0	295.320	0.485	20	30		CCEDRM
CN(CCC(=O)[O-])S(=O)(=O)NCC(C)(C)CC#N	ZINC000315483221	963906514	/nfs/dbraw/zinc/90/65/14/963906514.db2.gz	WGYCHYFWUHSIOV-UHFFFAOYSA-N	-1	0	277.346	0.167	20	30		CCEDRM
C#CCCCCC(=O)O[C@@H]1C[C@@H](C(=O)[O-])N(C)C1	ZINC001588440772	964044465	/nfs/dbraw/zinc/04/44/65/964044465.db2.gz	QALAIYAHZGTTFE-MNOVXSKESA-N	-1	0	253.298	0.881	20	30		CCEDRM
C=C(C)C[C@H](NC(C)=O)C(=O)N[C@H]1C[C@@H](C(=O)[O-])C1	ZINC001588441279	964050588	/nfs/dbraw/zinc/05/05/88/964050588.db2.gz	IFTFPPAOYONKQZ-AXFHLTTASA-N	-1	0	268.313	0.437	20	30		CCEDRM
CC1(C(=O)[O-])CCN(C(=O)CSCC#N)CC1	ZINC000062842419	967542916	/nfs/dbraw/zinc/54/29/16/967542916.db2.gz	CLNLAGZUURHBJW-UHFFFAOYSA-N	-1	0	256.327	0.956	20	30		CCEDRM
C#CCN(CC(=O)[O-])C(=O)NC[C@@H]1CCCOC1	ZINC000092491228	967597686	/nfs/dbraw/zinc/59/76/86/967597686.db2.gz	WYTZNSOIXOPTJY-JTQLQIEISA-N	-1	0	254.286	0.142	20	30		CCEDRM
C#CCN(CC(=O)[O-])C(=O)NC[C@H]1CSCCS1	ZINC000229631366	967719836	/nfs/dbraw/zinc/71/98/36/967719836.db2.gz	HQDYBOLQPRYQHY-VIFPVBQESA-N	-1	0	288.394	0.564	20	30		CCEDRM
C#CCN(CC(=O)[O-])C(=O)N[C@H]1CCOC[C@@H]1C	ZINC000302360608	967913732	/nfs/dbraw/zinc/91/37/32/967913732.db2.gz	KVCQMGHJOFDTGP-UWVGGRQHSA-N	-1	0	254.286	0.141	20	30		CCEDRM
C=CCC(C)(C)CNC(=O)c1cn(CC(=O)[O-])nn1	ZINC000312062570	967953675	/nfs/dbraw/zinc/95/36/75/967953675.db2.gz	DBKIXSXWBWAHNX-UHFFFAOYSA-N	-1	0	266.301	0.695	20	30		CCEDRM
C#CCNC(=O)[C@H](C)[N@@H+]1CC[C@H](C(=O)[O-])[C@H](C)C1	ZINC000381069291	968086813	/nfs/dbraw/zinc/08/68/13/968086813.db2.gz	BBIXICKCTJDTLU-VWYCJHECSA-N	-1	0	252.314	0.167	20	30		CCEDRM
C#CCNC(=O)[C@H](C)[N@@H+]1CC[C@@H](C(=O)[O-])[C@H](C)C1	ZINC000381069288	968086857	/nfs/dbraw/zinc/08/68/57/968086857.db2.gz	BBIXICKCTJDTLU-OUAUKWLOSA-N	-1	0	252.314	0.167	20	30		CCEDRM
C#CCN(CC(=O)[O-])c1nnc(-c2ccoc2)n1C	ZINC001588426300	969881539	/nfs/dbraw/zinc/88/15/39/969881539.db2.gz	GRMSLXYWLUSVRK-UHFFFAOYSA-N	-1	0	260.253	0.599	20	30		CCEDRM
C#CCN(CC(=O)[O-])c1nnc(-c2ccc(=O)[nH]c2)n1C	ZINC001588426306	969881602	/nfs/dbraw/zinc/88/16/02/969881602.db2.gz	HAPAUUKJBUXQLR-UHFFFAOYSA-N	-1	0	287.279	0.107	20	30		CCEDRM
C[C@@](C#N)(CC(=O)[O-])C(=O)OCC(=O)NC1(C#N)CCC1	ZINC001609693015	970452148	/nfs/dbraw/zinc/45/21/48/970452148.db2.gz	NGZBRZFYYOTCCY-LBPRGKRZSA-N	-1	0	293.279	0.097	20	30		CCEDRM
C=CC[C@@H](CO)NS(=O)(=O)c1csc(C(=O)[O-])c1	ZINC000320088651	970612815	/nfs/dbraw/zinc/61/28/15/970612815.db2.gz	CQSMXRXQQUCLIZ-ZETCQYMHSA-N	-1	0	291.350	0.662	20	30		CCEDRM
C[C@]1(C#N)CN(C(=O)C2(C(=O)[O-])CCOCC2)CCO1	ZINC001603290478	972545889	/nfs/dbraw/zinc/54/58/89/972545889.db2.gz	NQTUEHQQVOJQJK-LBPRGKRZSA-N	-1	0	282.296	0.009	20	30		CCEDRM
CC1(C)C[C@]1(C(=O)[O-])C(=O)N1CCN(CC#N)CC1	ZINC001603322051	972648350	/nfs/dbraw/zinc/64/83/50/972648350.db2.gz	FQCVZEDIGFURLH-CYBMUJFWSA-N	-1	0	265.313	0.155	20	30		CCEDRM
Cc1cc(C(=O)N[C@H]2C[C@@H](C(=O)[O-])C2)ncc1C#N	ZINC001605126949	972789056	/nfs/dbraw/zinc/78/90/56/972789056.db2.gz	XAIZEKLQLNYWLH-WAAGHKOSSA-N	-1	0	259.265	0.855	20	30		CCEDRM
COC(=O)CC[C@H](NC(=O)[C@H](C)CC#N)C(=O)[O-]	ZINC001604318247	972988836	/nfs/dbraw/zinc/98/88/36/972988836.db2.gz	QHSJMPBGXOSKPI-SFYZADRCSA-N	-1	0	256.258	0.059	20	30		CCEDRM
Cc1ccnc(NCCOCCOCC(=O)[O-])c1C#N	ZINC001605359868	973285509	/nfs/dbraw/zinc/28/55/09/973285509.db2.gz	RIYXVAMNJJMDGC-UHFFFAOYSA-N	-1	0	279.296	0.791	20	30		CCEDRM
C=C(CC)CNC(=O)N1C[C@H](O)C[C@H](C(=O)[O-])C1	ZINC000401786641	973390431	/nfs/dbraw/zinc/39/04/31/973390431.db2.gz	LCSOVCIOHWPMTL-VHSXEESVSA-N	-1	0	256.302	0.430	20	30		CCEDRM
COC[C@@]1(C(=O)[O-])CCN(C(=O)NCC2(CC#N)CC2)C1	ZINC001604533590	973493695	/nfs/dbraw/zinc/49/36/95/973493695.db2.gz	PBGRLWWVDFPTDY-CQSZACIVSA-N	-1	0	295.339	0.813	20	30		CCEDRM
C=C(C)COCCNC(=O)N1C[C@@H](O)C[C@H](C(=O)[O-])C1	ZINC000401941249	973548449	/nfs/dbraw/zinc/54/84/49/973548449.db2.gz	PAHHKLDCQYEBMN-QWRGUYRKSA-N	-1	0	286.328	0.056	20	30		CCEDRM
N#Cc1ccc(N2C[C@H](O)C[C@H](C(=O)[O-])C2)c(F)c1	ZINC000401975823	973585010	/nfs/dbraw/zinc/58/50/10/973585010.db2.gz	UHOCZYMWUDFZPV-VHSXEESVSA-N	-1	0	264.256	0.969	20	30		CCEDRM
O=C([O-])CS(=O)(=O)CCNCC#Cc1ccccc1	ZINC001606296613	973702194	/nfs/dbraw/zinc/70/21/94/973702194.db2.gz	JRJILQHITJJDPY-UHFFFAOYSA-N	-1	0	281.333	0.127	20	30		CCEDRM
Cn1nccc1C(=O)/C=C\c1cc(C(=O)[O-])nn1C	ZINC001605540101	973743538	/nfs/dbraw/zinc/74/35/38/973743538.db2.gz	MNZCFBJKDYDYLO-ARJAWSKDSA-N	-1	0	260.253	0.748	20	30		CCEDRM
N#CC1(C(=O)NCCOCCOCC(=O)[O-])CCCC1	ZINC001605576017	973843121	/nfs/dbraw/zinc/84/31/21/973843121.db2.gz	HUUOJROPHXSTSN-UHFFFAOYSA-N	-1	0	284.312	0.304	20	30		CCEDRM
N#CC1(CNC(=O)C2(C(=O)[O-])CCOCC2)CC1	ZINC001605576153	973844837	/nfs/dbraw/zinc/84/48/37/973844837.db2.gz	KHKGGYCUUZPVAI-UHFFFAOYSA-N	-1	0	252.270	0.288	20	30		CCEDRM
N#C[C@@H](NC(=O)c1cc(C(=O)[O-])n[nH]1)C1CCCC1	ZINC001605576428	973848066	/nfs/dbraw/zinc/84/80/66/973848066.db2.gz	NDPIUBIAPVVGHH-SNVBAGLBSA-N	-1	0	262.269	0.920	20	30		CCEDRM
N#CCCCC(=O)N[C@@H]1CCCCN(CC(=O)[O-])C1=O	ZINC001605581806	973862625	/nfs/dbraw/zinc/86/26/25/973862625.db2.gz	MQJFBZNAURAFHZ-SNVBAGLBSA-N	-1	0	281.312	0.262	20	30		CCEDRM
N#CCCN1CCN(C(=O)NCCCCCC(=O)[O-])CC1	ZINC001605585928	973879258	/nfs/dbraw/zinc/87/92/58/973879258.db2.gz	MXGDNIICBXGXQT-UHFFFAOYSA-N	-1	0	296.371	0.872	20	30		CCEDRM
N#Cc1cc(N2C[C@H]3COC[C@@]3(C(=O)[O-])C2)ccn1	ZINC001605591860	973888925	/nfs/dbraw/zinc/88/89/25/973888925.db2.gz	DCNNJNLUVGVNSP-ZANVPECISA-N	-1	0	259.265	0.491	20	30		CCEDRM
N#Cc1cc(C(=O)NCCOCCOCC(=O)[O-])cs1	ZINC001605592165	973894485	/nfs/dbraw/zinc/89/44/85/973894485.db2.gz	ZLDJRVGDJABTCJ-UHFFFAOYSA-N	-1	0	298.320	0.467	20	30		CCEDRM
N#Cc1cn(CC(=O)[O-])c(=O)n(CCCC2CCC2)c1=O	ZINC001605623058	973947422	/nfs/dbraw/zinc/94/74/22/973947422.db2.gz	SFKXQEYUIYGTIX-UHFFFAOYSA-N	-1	0	291.307	0.547	20	30		CCEDRM
N#CCCCS(=O)(=O)N1CCSC[C@@H]1C(=O)[O-]	ZINC000417449969	973953707	/nfs/dbraw/zinc/95/37/07/973953707.db2.gz	ZBULGBRIUXPAMJ-MRVPVSSYSA-N	-1	0	278.355	0.122	20	30		CCEDRM
COc1ccc(NN=Cc2c(C(=O)[O-])cnn2C)nc1	ZINC001604821081	974060477	/nfs/dbraw/zinc/06/04/77/974060477.db2.gz	JFVJXHFQEVOMFH-UHFFFAOYSA-N	-1	0	275.268	0.968	20	30		CCEDRM
CC(C)S(=O)(=O)NN=Cc1cc(C(=O)[O-])no1	ZINC001591818497	976058981	/nfs/dbraw/zinc/05/89/81/976058981.db2.gz	JEXKHLKHEXLBMO-UHFFFAOYSA-N	-1	0	261.259	0.035	20	30		CCEDRM
CC(C)[C@H](NC(=O)CON=C(N)c1cccs1)C(=O)[O-]	ZINC001591877025	976228242	/nfs/dbraw/zinc/22/82/42/976228242.db2.gz	OBKPHOKIFPZHCZ-JTQLQIEISA-N	-1	0	299.352	0.610	20	30		CCEDRM
C[C@H](CC#N)C(=O)N1CCC[C@H](n2cc(C(=O)[O-])nn2)C1	ZINC001592210744	977256313	/nfs/dbraw/zinc/25/63/13/977256313.db2.gz	GKBYVKCPOLPSBH-ZJUUUORDSA-N	-1	0	291.311	0.690	20	30		CCEDRM
C[C@@H](CC(=O)[O-])CC(=O)N[C@](C)(C#N)CN(C)C	ZINC001592375602	977910772	/nfs/dbraw/zinc/91/07/72/977910772.db2.gz	SJMSFYZELOUCMB-BXKDBHETSA-N	-1	0	255.318	0.447	20	30		CCEDRM
C[C@@H](CN(C)C(=O)C1CC2(C1)C[NH2+]C[C@@H]2C#N)C(=O)[O-]	ZINC001592570008	978466400	/nfs/dbraw/zinc/46/64/00/978466400.db2.gz	UIDSJMKGWCSXHB-OZAVNUTGSA-N	-1	0	279.340	0.305	20	30		CCEDRM
C[C@H](CO)N(C)N=C1CCCn2nc(C(=O)[O-])cc21	ZINC001592761983	979354759	/nfs/dbraw/zinc/35/47/59/979354759.db2.gz	MNXDNTQMSXWOLJ-MRVPVSSYSA-N	-1	0	266.301	0.392	20	30		CCEDRM
CC[C@](COC)(NC(=O)c1ccc(C#N)o1)C(=O)[O-]	ZINC001595193857	979893394	/nfs/dbraw/zinc/89/33/94/979893394.db2.gz	NKDVRVUPUMTSCH-GFCCVEGCSA-N	-1	0	266.253	0.761	20	30		CCEDRM
CC[C@@H](Cc1cn(CCO[C@H](C)C#N)nn1)C(=O)[O-]	ZINC001595219649	980040556	/nfs/dbraw/zinc/04/05/56/980040556.db2.gz	RNCHMGYWMPKKNX-ZJUUUORDSA-N	-1	0	266.301	0.860	20	30		CCEDRM
CC[C@H](C(=O)[O-])C(=O)N1CCC2(CC1)CC(=O)C=CO2	ZINC001594743417	981623263	/nfs/dbraw/zinc/62/32/63/981623263.db2.gz	QXNXISCGVVVXLM-NSHDSACASA-N	-1	0	281.308	0.962	20	30		CCEDRM
CC[C@H](C(=O)[O-])C(=O)NCC1(C#N)CCOCC1	ZINC001594753027	981657707	/nfs/dbraw/zinc/65/77/07/981657707.db2.gz	JCKIRJVAIBOLQQ-VIFPVBQESA-N	-1	0	254.286	0.534	20	30		CCEDRM
CC[C@](C)(C#N)NC(=O)[C@H]1C[C@@H](C)[C@H](C(=O)[O-])O1	ZINC001594778586	981778751	/nfs/dbraw/zinc/77/87/51/981778751.db2.gz	WJFQITYHPDAACI-MFYTUXHUSA-N	-1	0	254.286	0.673	20	30		CCEDRM
C#C[C@@H](C)N(C)Cn1nc(C(=O)[O-])cc1C(=O)OC	ZINC001588367770	983301045	/nfs/dbraw/zinc/30/10/45/983301045.db2.gz	BJJIXBSUQZFGQC-MRVPVSSYSA-N	-1	0	265.269	0.279	20	30		CCEDRM
C#C[C@H](NC(=O)N1CCC([C@H](O)C(=O)[O-])CC1)C(C)C	ZINC001588371921	983325828	/nfs/dbraw/zinc/32/58/28/983325828.db2.gz	AAFMCEUHYUETHG-RYUDHWBXSA-N	-1	0	282.340	0.511	20	30		CCEDRM
C#C[C@H](N[C@H](C(=O)[O-])C1(OC)CCC1)[C@H]1CCCO1	ZINC001588377268	983356448	/nfs/dbraw/zinc/35/64/48/983356448.db2.gz	KHRHKGSGBGHCGM-QJPTWQEYSA-N	-1	0	267.325	0.779	20	30		CCEDRM
C#CC1(O)CN(C(=O)Nc2cc(F)c(C(=O)[O-])c(F)c2)C1	ZINC001588379420	983364119	/nfs/dbraw/zinc/36/41/19/983364119.db2.gz	HDVSAZFRIYJSMB-UHFFFAOYSA-N	-1	0	296.229	0.875	20	30		CCEDRM
C#CC1(NC(=O)COCc2ocnc2C(=O)[O-])CCCC1	ZINC001588379769	983365130	/nfs/dbraw/zinc/36/51/30/983365130.db2.gz	QTEJLFOWTBHHOO-UHFFFAOYSA-N	-1	0	292.291	0.952	20	30		CCEDRM
C#C[C@H]1COCCN1C(=O)CCSCC(=O)[O-]	ZINC001588383991	983385780	/nfs/dbraw/zinc/38/57/80/983385780.db2.gz	RERFIZKZAHJOPE-VIFPVBQESA-N	-1	0	257.311	0.055	20	30		CCEDRM
C#CC[C@@H](NC(=O)Cc1c[nH]c2cnccc12)C(=O)[O-]	ZINC001588405521	983421711	/nfs/dbraw/zinc/42/17/11/983421711.db2.gz	QUPYJVWYIJXJBT-LLVKDONJSA-N	-1	0	271.276	0.698	20	30		CCEDRM
C#CC[C@@H](NC(=O)CCc1cc(OC)no1)C(=O)[O-]	ZINC001588406087	983423679	/nfs/dbraw/zinc/42/36/79/983423679.db2.gz	XHDMLSGQDPZNSA-SECBINFHSA-N	-1	0	266.253	0.209	20	30		CCEDRM
C#CC[C@H](NC(=O)[C@H]1CCCCN1C(=O)CC)C(=O)[O-]	ZINC001588406724	983426348	/nfs/dbraw/zinc/42/63/48/983426348.db2.gz	SRLQQUUUWUSPFQ-WDEREUQCSA-N	-1	0	280.324	0.370	20	30		CCEDRM
C#CC[C@H](NC(=O)Cc1ccc2c[nH]nc2c1)C(=O)[O-]	ZINC001588407282	983427678	/nfs/dbraw/zinc/42/76/78/983427678.db2.gz	FTULYPULOMVDRV-NSHDSACASA-N	-1	0	271.276	0.698	20	30		CCEDRM
C#CC[C@@H](NC(=O)Cc1ccc2c(c1)NC(=O)C2)C(=O)[O-]	ZINC001588408169	983430953	/nfs/dbraw/zinc/43/09/53/983430953.db2.gz	ZSHRYZUICYYDOA-LLVKDONJSA-N	-1	0	286.287	0.316	20	30		CCEDRM
C#CC[C@H](NC(=O)c1cn(C)nc1-c1ccco1)C(=O)[O-]	ZINC001588415899	983436068	/nfs/dbraw/zinc/43/60/68/983436068.db2.gz	HYGIWSICYLMNDM-JTQLQIEISA-N	-1	0	287.275	0.886	20	30		CCEDRM
C#CC[C@@H](NC(=O)c1ccc2cc[nH]c2n1)C(=O)[O-]	ZINC001588416207	983436318	/nfs/dbraw/zinc/43/63/18/983436318.db2.gz	KWLOXBRWFUXROC-SNVBAGLBSA-N	-1	0	257.249	0.769	20	30		CCEDRM
C#CC[C@@H](NS(=O)(=O)CCC1CCCC1)C(=O)[O-]	ZINC001588423276	983451691	/nfs/dbraw/zinc/45/16/91/983451691.db2.gz	BSAQQHOCXWIMHR-LLVKDONJSA-N	-1	0	273.354	0.963	20	30		CCEDRM
C#CC[C@H]1NC(=O)N([C@H](C)c2ncc(C(=O)[O-])s2)C1=O	ZINC001588433649	983467974	/nfs/dbraw/zinc/46/79/74/983467974.db2.gz	BLEKCNUUYWXDIK-RNFRBKRXSA-N	-1	0	293.304	0.846	20	30		CCEDRM
C#CC[C@@H]1NC(=O)N([C@@H](C)c2ncc(C(=O)[O-])s2)C1=O	ZINC001588433638	983468140	/nfs/dbraw/zinc/46/81/40/983468140.db2.gz	BLEKCNUUYWXDIK-BQBZGAKWSA-N	-1	0	293.304	0.846	20	30		CCEDRM
C#CC[C@@H]1NC(=O)N(C2CCC(C(=O)[O-])CC2)C1=O	ZINC001588434831	983472884	/nfs/dbraw/zinc/47/28/84/983472884.db2.gz	VDRFEHBEIRYIMF-RTBKNWGFSA-N	-1	0	264.281	0.574	20	30		CCEDRM
C#CC[C@H]1CCN(C(=O)Cn2cccc(C(=O)[O-])c2=O)C1	ZINC001588434896	983473296	/nfs/dbraw/zinc/47/32/96/983473296.db2.gz	XJLLDKGUKYCNDC-NSHDSACASA-N	-1	0	288.303	0.418	20	30		CCEDRM
C#CCN(C(=O)[C@H]1C[C@@H]1C(=O)[O-])C1CCN(CC#N)CC1	ZINC001588460297	983488036	/nfs/dbraw/zinc/48/80/36/983488036.db2.gz	XENVFGZUGGUZMP-STQMWFEESA-N	-1	0	289.335	0.157	20	30		CCEDRM
C#CCN(C(=O)c1ccc(C(=O)[O-])nc1)C1CSC1	ZINC001588461733	983491329	/nfs/dbraw/zinc/49/13/29/983491329.db2.gz	ZHRIVAJBABVIEQ-UHFFFAOYSA-N	-1	0	276.317	0.971	20	30		CCEDRM
C#CCN(C)S(=O)(=O)c1cccc(C)c1C(=O)[O-]	ZINC001588464113	983493310	/nfs/dbraw/zinc/49/33/10/983493310.db2.gz	VZDMOXFHMKDXAX-UHFFFAOYSA-N	-1	0	267.306	0.947	20	30		CCEDRM
C#CCN(Cc1oncc1C(=O)[O-])C1CSC1	ZINC001588471655	983507302	/nfs/dbraw/zinc/50/73/02/983507302.db2.gz	VJIJXBKWAVCWBR-UHFFFAOYSA-N	-1	0	252.295	0.923	20	30		CCEDRM
C#CCN1CCCN(C(=O)c2ccc(C(=O)[O-])o2)CC1	ZINC001588477480	983516278	/nfs/dbraw/zinc/51/62/78/983516278.db2.gz	SZWONDBRXIGBCA-UHFFFAOYSA-N	-1	0	276.292	0.759	20	30		CCEDRM
C#CCNC(=O)[C@H](C)OC(=O)C[C@@H](C)CC(=O)[O-]	ZINC001588479255	983518203	/nfs/dbraw/zinc/51/82/03/983518203.db2.gz	GHQJOPXVGADHKN-IUCAKERBSA-N	-1	0	255.270	0.168	20	30		CCEDRM
C#CCNC(=O)[C@H](C)OC(=O)C[C@H](C)CC(=O)[O-]	ZINC001588479253	983518234	/nfs/dbraw/zinc/51/82/34/983518234.db2.gz	GHQJOPXVGADHKN-BDAKNGLRSA-N	-1	0	255.270	0.168	20	30		CCEDRM
C#CCNC(=O)N[C@H]1CCCn2nc(C(=O)[O-])cc21	ZINC001588484265	983523761	/nfs/dbraw/zinc/52/37/61/983523761.db2.gz	XWTWPKPFRPBCBL-QMMMGPOBSA-N	-1	0	262.269	0.349	20	30		CCEDRM
C#CCOCCC(=O)OCC(=O)c1ccc(C(=O)[O-])o1	ZINC001588489695	983528728	/nfs/dbraw/zinc/52/87/28/983528728.db2.gz	JMBBALOFMWRGNE-UHFFFAOYSA-N	-1	0	280.232	0.744	20	30		CCEDRM
C#CCOCCC(=O)N1CC(F)(F)C[C@@H]1C(=O)[O-]	ZINC001588490224	983531417	/nfs/dbraw/zinc/53/14/17/983531417.db2.gz	VZDXPISAOPZBGB-MRVPVSSYSA-N	-1	0	261.224	0.347	20	30		CCEDRM
C#CCO[C@@H](C)C(=O)Nc1nnc(CCCC(=O)[O-])s1	ZINC001588490360	983532110	/nfs/dbraw/zinc/53/21/10/983532110.db2.gz	LRVMTTFKZQVYEG-QMMMGPOBSA-N	-1	0	297.336	0.922	20	30		CCEDRM
C#CCOCCNC(=O)NCCc1ncc(C(=O)[O-])s1	ZINC001588491819	983537471	/nfs/dbraw/zinc/53/74/71/983537471.db2.gz	XLQLNPWHLCMQCB-UHFFFAOYSA-N	-1	0	297.336	0.333	20	30		CCEDRM
C#CCOCCSc1[nH]c(=O)nc(C)c1C(=O)[O-]	ZINC001588498805	983544123	/nfs/dbraw/zinc/54/41/23/983544123.db2.gz	GUOTVOUCOZVRDN-UHFFFAOYSA-N	-1	0	268.294	0.931	20	30		CCEDRM
CCN([C@@H](C)C#N)S(=O)(=O)CC(C)(C)C(=O)[O-]	ZINC001596177907	983547147	/nfs/dbraw/zinc/54/71/47/983547147.db2.gz	JKVBINOSSAMAKR-QMMMGPOBSA-N	-1	0	262.331	0.661	20	30		CCEDRM
C#CCSCC(=O)N[C@](C)(COC)CC(=O)[O-]	ZINC001588504875	983549268	/nfs/dbraw/zinc/54/92/68/983549268.db2.gz	ODWFTOBHKULOJU-NSHDSACASA-N	-1	0	259.327	0.349	20	30		CCEDRM
C#CCn1ccc(CN(CC)C(=O)NC[C@H](F)C(=O)[O-])n1	ZINC001588509530	983553366	/nfs/dbraw/zinc/55/33/66/983553366.db2.gz	JXMNBPPZAHEYHA-NSHDSACASA-N	-1	0	296.302	0.471	20	30		CCEDRM
C#Cc1ccc(C(=O)N[C@H](CCC(=O)[O-])C(=O)OC)nc1	ZINC001588516396	983560746	/nfs/dbraw/zinc/56/07/46/983560746.db2.gz	JUPLUZYTGVZEIJ-LLVKDONJSA-N	-1	0	290.275	0.199	20	30		CCEDRM
C#Cc1ccc(C(=O)Nc2cc(C(=O)[O-])nn2C)cn1	ZINC001588516626	983561587	/nfs/dbraw/zinc/56/15/87/983561587.db2.gz	TUDPBSFFRHYQAL-UHFFFAOYSA-N	-1	0	270.248	0.747	20	30		CCEDRM
C#Cc1ccc(CNC(=O)Cn2ccc(C(=O)[O-])n2)cc1	ZINC001588516813	983562376	/nfs/dbraw/zinc/56/23/76/983562376.db2.gz	CLISQOKMZGROGC-UHFFFAOYSA-N	-1	0	283.287	0.879	20	30		CCEDRM
CCN(CC#N)S(=O)(=O)CC1(C(=O)[O-])CCCC1	ZINC001596200260	983584773	/nfs/dbraw/zinc/58/47/73/983584773.db2.gz	QSURRKZXQPGDQD-UHFFFAOYSA-N	-1	0	274.342	0.807	20	30		CCEDRM
C=C(C)C[C@H](NC(=O)[C@@H](C)CS(C)(=O)=O)C(=O)[O-]	ZINC001588536380	983593534	/nfs/dbraw/zinc/59/35/34/983593534.db2.gz	AHCPSXAGQYPYFO-IUCAKERBSA-N	-1	0	277.342	0.203	20	30		CCEDRM
C=C(C)[C@@H]1OCC[C@H]1CNS(=O)(=O)C[C@@H](C)C(=O)[O-]	ZINC001588536345	983593551	/nfs/dbraw/zinc/59/35/51/983593551.db2.gz	QXPAHJGHGNGKJV-VWYCJHECSA-N	-1	0	291.369	0.608	20	30		CCEDRM
C=C(C)C[C@@H](CO)NS(=O)(=O)CCCC(=O)[O-]	ZINC001588537275	983598975	/nfs/dbraw/zinc/59/89/75/983598975.db2.gz	KZMMWWYXMAPHDY-VIFPVBQESA-N	-1	0	265.331	0.098	20	30		CCEDRM
C=C(C)C[C@@H](NC(C)=O)C(=O)NC[C@H]1C[C@H]1C(=O)[O-]	ZINC001588548627	983624899	/nfs/dbraw/zinc/62/48/99/983624899.db2.gz	WBIPEZIOFPTTCD-GMTAPVOTSA-N	-1	0	268.313	0.294	20	30		CCEDRM
C=C(C)C[C@@H](NC(=O)c1cncc(OC)n1)C(=O)[O-]	ZINC001588548760	983625254	/nfs/dbraw/zinc/62/52/54/983625254.db2.gz	TTZZZTXGTGKSET-MRVPVSSYSA-N	-1	0	265.269	0.634	20	30		CCEDRM
CCN(C[C@@H](C)C#N)S(=O)(=O)NC1CC(C(=O)[O-])C1	ZINC001596231112	983625708	/nfs/dbraw/zinc/62/57/08/983625708.db2.gz	GZKPZEVDVQTSQB-IDKOKCKLSA-N	-1	0	289.357	0.166	20	30		CCEDRM
C=C(C)C[C@H](NC(=O)c1cn(C)ccc1=O)C(=O)[O-]	ZINC001588549106	983626397	/nfs/dbraw/zinc/62/63/97/983626397.db2.gz	XQAVPKLNDZZAJN-JTQLQIEISA-N	-1	0	264.281	0.535	20	30		CCEDRM
C=C(C)C[C@H]1NC(=O)N([C@H]2C[C@@H](C(=O)[O-])[C@@H]3C[C@@H]32)C1=O	ZINC001588555161	983633377	/nfs/dbraw/zinc/63/33/77/983633377.db2.gz	ZYHUVCPPLCRSKJ-QGKZMRNZSA-N	-1	0	278.308	0.982	20	30		CCEDRM
C=C(C)Cn1c([C@H](C)CO)nnc1N1CC[C@H](C(=O)[O-])C1	ZINC001588589596	983667636	/nfs/dbraw/zinc/66/76/36/983667636.db2.gz	QZEAJANGDORUIN-MNOVXSKESA-N	-1	0	294.355	0.861	20	30		CCEDRM
C=C(CC)C(=O)N1C[C@@H](C(=O)[O-])[C@H](C(=O)OC)C1	ZINC001588605588	983693565	/nfs/dbraw/zinc/69/35/65/983693565.db2.gz	HKWPDKJUHXHLBL-RKDXNWHRSA-N	-1	0	255.270	0.285	20	30		CCEDRM
C=C(CCC(=O)[O-])C(=O)N(CCS(C)(=O)=O)C1CC1	ZINC001588611980	983701488	/nfs/dbraw/zinc/70/14/88/983701488.db2.gz	DKBKVILQMKBSLL-UHFFFAOYSA-N	-1	0	289.353	0.443	20	30		CCEDRM
C=C(CCC(=O)[O-])C(=O)N1C[C@@H](C)O[C@@H](CO)C1	ZINC001588612578	983703262	/nfs/dbraw/zinc/70/32/62/983703262.db2.gz	SMBOLPLTDNCKNO-NXEZZACHSA-N	-1	0	257.286	0.016	20	30		CCEDRM
C=C(CCC(=O)[O-])C(=O)N1CCC2(CCN(C)C2=O)CC1	ZINC001588614136	983706526	/nfs/dbraw/zinc/70/65/26/983706526.db2.gz	MGDMBYKEAFHWAY-UHFFFAOYSA-N	-1	0	294.351	0.878	20	30		CCEDRM
C=C(CCC(=O)[O-])C(=O)N1CCO[C@@H](C(F)F)C1	ZINC001588614788	983708511	/nfs/dbraw/zinc/70/85/11/983708511.db2.gz	CANKYSHOSSFIGK-MRVPVSSYSA-N	-1	0	263.240	0.900	20	30		CCEDRM
C=C(CCC(=O)[O-])C(=O)N1CCN(C2CC2)[C@@H](C#N)C1	ZINC001588615077	983709861	/nfs/dbraw/zinc/70/98/61/983709861.db2.gz	JFXIYVKXUVXVBX-LBPRGKRZSA-N	-1	0	277.324	0.606	20	30		CCEDRM
C=C(CCC(=O)[O-])C(=O)N[C@@H](C)COCCOC	ZINC001588618786	983713119	/nfs/dbraw/zinc/71/31/19/983713119.db2.gz	ABXGAIPZORSZRK-JTQLQIEISA-N	-1	0	259.302	0.575	20	30		CCEDRM
C=C(CCC(=O)[O-])C(=O)N[C@H](C(N)=O)c1ccc(F)cc1	ZINC001588619299	983715902	/nfs/dbraw/zinc/71/59/02/983715902.db2.gz	QDOKAIORUGAFCE-LBPRGKRZSA-N	-1	0	294.282	0.889	20	30		CCEDRM
C=C(CCC(=O)[O-])C(=O)N[C@@H]1CC(=O)N(CC)C1	ZINC001588621568	983720054	/nfs/dbraw/zinc/72/00/54/983720054.db2.gz	GSNCJQVTKSZUCM-SECBINFHSA-N	-1	0	254.286	0.144	20	30		CCEDRM
C=C(CCC(=O)[O-])C(=O)NC1CC(N2CCOCC2)C1	ZINC001588621579	983720227	/nfs/dbraw/zinc/72/02/27/983720227.db2.gz	HAAVIBXGMAFNRW-UHFFFAOYSA-N	-1	0	282.340	0.387	20	30		CCEDRM
C=C(CCC(=O)[O-])C(=O)N[C@@H]1CCN(C(=O)NCC)C1	ZINC001588622664	983724455	/nfs/dbraw/zinc/72/44/55/983724455.db2.gz	BQOFLNIMXHYBNB-SNVBAGLBSA-N	-1	0	283.328	0.327	20	30		CCEDRM
CCN(CCC#N)C(=O)CN1CCC[C@@]1(COC)C(=O)[O-]	ZINC001596299711	983725794	/nfs/dbraw/zinc/72/57/94/983725794.db2.gz	XBEWTQUFCCFMLS-CQSZACIVSA-N	-1	0	297.355	0.314	20	30		CCEDRM
C=C(CCC(=O)[O-])C(=O)NC[C@@H]1CCCCS1(=O)=O	ZINC001588624761	983734812	/nfs/dbraw/zinc/73/48/12/983734812.db2.gz	VXSVKGNFZBZVQX-JTQLQIEISA-N	-1	0	289.353	0.491	20	30		CCEDRM
CC[N@H+](CCC(=O)[O-])Cc1cc(=O)n2[n-]cc(C#N)c2n1	ZINC001596314960	983747071	/nfs/dbraw/zinc/74/70/71/983747071.db2.gz	YEYPFZCXZAENFV-UHFFFAOYSA-N	-1	0	289.295	0.603	20	30		CCEDRM
C=C(CO)C(=O)N1CC[C@H](C(=O)[O-])[C@@H]2CCC[C@H]21	ZINC001588637261	983759498	/nfs/dbraw/zinc/75/94/98/983759498.db2.gz	KWCMWYFLLFFYNH-GARJFASQSA-N	-1	0	253.298	0.637	20	30		CCEDRM
C=C[C@H](C(=O)N[C@H](C(=O)[O-])[C@@H](C)O)c1ccccc1	ZINC001588664585	983802054	/nfs/dbraw/zinc/80/20/54/983802054.db2.gz	SHPNDTJFKCHWIY-USWWRNFRSA-N	-1	0	263.293	0.906	20	30		CCEDRM
C=C[C@H](C(=O)OC)N1CCC[C@](O)(C2(C(=O)[O-])CCC2)C1	ZINC001588672173	983824007	/nfs/dbraw/zinc/82/40/07/983824007.db2.gz	PDQFMOLMYZYPTO-IAQYHMDHSA-N	-1	0	297.351	0.796	20	30		CCEDRM
C=CC(C)(C)NC(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)[O-]	ZINC001588680843	983836335	/nfs/dbraw/zinc/83/63/35/983836335.db2.gz	HTIJIPRHWWXRLD-YUMQZZPRSA-N	-1	0	271.317	0.228	20	30		CCEDRM
C=C[C@@](C)(CC)C(=O)N1CCN(CC(=O)[O-])CC1	ZINC001588680935	983837859	/nfs/dbraw/zinc/83/78/59/983837859.db2.gz	JJJSGVGPKKQTTE-ZDUSSCGKSA-N	-1	0	254.330	0.818	20	30		CCEDRM
C=C[C@@](C)(O)CC(=O)N1CCC[C@]1(COC)C(=O)[O-]	ZINC001588683680	983849934	/nfs/dbraw/zinc/84/99/34/983849934.db2.gz	BTMDKFOCWLPAON-OLZOCXBDSA-N	-1	0	271.313	0.406	20	30		CCEDRM
C=C[C@@](C)(O)CC(=O)Nc1cnn(CC(=O)[O-])c1C	ZINC001588683880	983852733	/nfs/dbraw/zinc/85/27/33/983852733.db2.gz	GJNDOBZWEBZVFD-GFCCVEGCSA-N	-1	0	267.285	0.542	20	30		CCEDRM
C=C[C@@](C)(O)c1cn(Cc2ccc(C(=O)[O-])cn2)nn1	ZINC001588684839	983865376	/nfs/dbraw/zinc/86/53/76/983865376.db2.gz	ZGEKKGYVFOHYOL-CYBMUJFWSA-N	-1	0	274.280	0.813	20	30		CCEDRM
C=C[C@H](C)ON1C(=O)[C@H]2C[C@@H](C(=O)[O-])CCN2C1=O	ZINC001588687417	983870726	/nfs/dbraw/zinc/87/07/26/983870726.db2.gz	OITUIMVPBUKKGM-XHNCKOQMSA-N	-1	0	268.269	0.620	20	30		CCEDRM
C=C[C@H](CC)CC(=O)N1CCNC(=O)[C@@H]1CC(=O)[O-]	ZINC001588690588	983875464	/nfs/dbraw/zinc/87/54/64/983875464.db2.gz	CQYQBANTUJSRGF-ZJUUUORDSA-N	-1	0	268.313	0.390	20	30		CCEDRM
C=C[C@H](COC)NS(=O)(=O)CC1(C(=O)[O-])CCCC1	ZINC001588692730	983885579	/nfs/dbraw/zinc/88/55/79/983885579.db2.gz	IWZKQGVMEXQQMH-SNVBAGLBSA-N	-1	0	291.369	0.752	20	30		CCEDRM
C=C[C@@H](Nc1ccc2c(c1)n(C)c(=O)n2C)C(=O)[O-]	ZINC001588702553	983920942	/nfs/dbraw/zinc/92/09/42/983920942.db2.gz	UNTJURZUSUNKSO-SECBINFHSA-N	-1	0	261.281	0.928	20	30		CCEDRM
C=C[C@H](OC(=O)[C@H](NS(C)(=O)=O)C(C)(C)C)C(=O)[O-]	ZINC001588703996	983923099	/nfs/dbraw/zinc/92/30/99/983923099.db2.gz	BSHPGYQUCUUDNV-YUMQZZPRSA-N	-1	0	293.341	0.133	20	30		CCEDRM
C=C[C@@H](O)C(=O)N[C@H]1CCCn2nc(C(=O)[O-])cc21	ZINC001588706281	983930395	/nfs/dbraw/zinc/93/03/95/983930395.db2.gz	XTOUILCKHZBTNN-OIBJUYFYSA-N	-1	0	265.269	0.079	20	30		CCEDRM
C=C[C@H](OC(=O)[C@H]1CCC[C@H](C(N)=O)C1)C(=O)[O-]	ZINC001588710566	983932514	/nfs/dbraw/zinc/93/25/14/983932514.db2.gz	FKAKDOUSMWSXNN-CIUDSAMLSA-N	-1	0	255.270	0.461	20	30		CCEDRM
C=C[C@H](OC(=O)[C@H]1CCCN(C(C)=O)C1)C(=O)[O-]	ZINC001588711242	983936984	/nfs/dbraw/zinc/93/69/84/983936984.db2.gz	NHRALIMOUJGHRZ-UWVGGRQHSA-N	-1	0	255.270	0.427	20	30		CCEDRM
C=C[C@@H](OC(=O)c1ccc(C(=O)[O-])n1C)C(=O)OCC	ZINC001588712134	983942145	/nfs/dbraw/zinc/94/21/45/983942145.db2.gz	HGKLGBWNZYPWOS-SNVBAGLBSA-N	-1	0	281.264	0.998	20	30		CCEDRM
C=C[C@@H](OC(=O)[C@@H]1CCc2n[nH]cc2C1)C(=O)[O-]	ZINC001588712357	983943702	/nfs/dbraw/zinc/94/37/02/983943702.db2.gz	VIZQKFQCTRZXEC-GMSGAONNSA-N	-1	0	250.254	0.697	20	30		CCEDRM
C=C[C@H](OC(=O)[C@H]1CCc2n[nH]cc2C1)C(=O)[O-]	ZINC001588712360	983943732	/nfs/dbraw/zinc/94/37/32/983943732.db2.gz	VIZQKFQCTRZXEC-XVKPBYJWSA-N	-1	0	250.254	0.697	20	30		CCEDRM
C=C[C@H](OC(=O)[C@@H]1OCCO[C@@H]1C(F)(F)F)C(=O)[O-]	ZINC001588713278	983948727	/nfs/dbraw/zinc/94/87/27/983948727.db2.gz	TXGHXWHGCKXXBA-XVMARJQXSA-N	-1	0	284.186	0.515	20	30		CCEDRM
C=CC[C@H](C(=O)[O-])N1CCS(=O)(=O)C[C@@H](C)C1	ZINC001588732022	984014711	/nfs/dbraw/zinc/01/47/11/984014711.db2.gz	UIFWKTZLNPQPTR-VHSXEESVSA-N	-1	0	261.343	0.382	20	30		CCEDRM
C=CC[C@@H](C)NC(=O)N1CC[C@@H](n2cc(C(=O)[O-])nn2)C1	ZINC001588736041	984022700	/nfs/dbraw/zinc/02/27/00/984022700.db2.gz	CLXHVOOYUSHQDF-NXEZZACHSA-N	-1	0	293.327	0.897	20	30		CCEDRM
C=CC[C@@H](NC(=O)[C@@H](C)CC(=O)[O-])C(=O)OCC	ZINC001588742834	984034814	/nfs/dbraw/zinc/03/48/14/984034814.db2.gz	LJOADTLWIVLXRW-DTWKUNHWSA-N	-1	0	257.286	0.721	20	30		CCEDRM
C=CC[C@@H](NC(=O)[C@@H]1CC[C@@H]1C(=O)[O-])C(=O)OCC	ZINC001588743169	984036801	/nfs/dbraw/zinc/03/68/01/984036801.db2.gz	SGAXBFQDZZXSQJ-KXUCPTDWSA-N	-1	0	269.297	0.721	20	30		CCEDRM
C=CC[C@H](CO)NC(=O)c1[nH]c(C)c(C(=O)[O-])c1C	ZINC001588743767	984039203	/nfs/dbraw/zinc/03/92/03/984039203.db2.gz	COFDRZQKSZFQFA-SECBINFHSA-N	-1	0	266.297	0.997	20	30		CCEDRM
C=CC[C@@H](OC(=O)[C@H](C)N1C(=O)CCC1=O)C(=O)[O-]	ZINC001588751948	984079259	/nfs/dbraw/zinc/07/92/59/984079259.db2.gz	RTRIPNWNWKWXSE-JGVFFNPUSA-N	-1	0	269.253	0.096	20	30		CCEDRM
C=CC[C@H](OC(=O)CNC(=O)Cc1ccccc1)C(=O)[O-]	ZINC001588753564	984086777	/nfs/dbraw/zinc/08/67/77/984086777.db2.gz	JQJOIXYLOMREMT-LBPRGKRZSA-N	-1	0	291.303	0.918	20	30		CCEDRM
C=CC[C@H](OC(=O)[C@H]1CCCS1(=O)=O)C(=O)[O-]	ZINC001588753892	984089949	/nfs/dbraw/zinc/08/99/49/984089949.db2.gz	POTFLEFXKNSRSZ-JGVFFNPUSA-N	-1	0	262.283	0.136	20	30		CCEDRM
C=CCCC(=O)N1CC[C@H](Nc2ccnc(C(=O)[O-])n2)C1	ZINC001588773775	984149317	/nfs/dbraw/zinc/14/93/17/984149317.db2.gz	JNHVOKJGDOQARS-JTQLQIEISA-N	-1	0	290.323	0.576	20	30		CCEDRM
C=CCCC(=O)NC1(CNC(=O)[C@@H]2C[C@@H]2C(=O)[O-])CC1	ZINC001588773908	984149933	/nfs/dbraw/zinc/14/99/33/984149933.db2.gz	MOMUDZQQHWSKAO-ZJUUUORDSA-N	-1	0	280.324	0.438	20	30		CCEDRM
C=CCCC(=O)NCCN(C(=O)[C@H]1C[C@H]1C(=O)[O-])C1CC1	ZINC001588776829	984153636	/nfs/dbraw/zinc/15/36/36/984153636.db2.gz	ITPDBEMHDPYZKA-NWDGAFQWSA-N	-1	0	294.351	0.781	20	30		CCEDRM
C=CCCOC(=O)[C@@H](C)OC(=O)C1(C(=O)[O-])CC1	ZINC001588808674	984263040	/nfs/dbraw/zinc/26/30/40/984263040.db2.gz	JUQXGXACKGYWEP-MRVPVSSYSA-N	-1	0	256.254	0.902	20	30		CCEDRM
C=CCCON1C(=O)[C@@H]2CC[C@H](C(=O)[O-])CN2C1=O	ZINC001588813358	984269858	/nfs/dbraw/zinc/26/98/58/984269858.db2.gz	PTZYUIHVZHWJOP-IUCAKERBSA-N	-1	0	268.269	0.622	20	30		CCEDRM
C=CCN(C(=O)CN1CCC[C@@H](C(=O)[O-])C1=O)C(C)C	ZINC001588820793	984286286	/nfs/dbraw/zinc/28/62/86/984286286.db2.gz	SDMNMXRYESBXJN-LLVKDONJSA-N	-1	0	282.340	0.733	20	30		CCEDRM
C=CCNC(=O)[C@H](C)OC(=O)c1cccc(C(=O)[O-])n1	ZINC001588838148	984335249	/nfs/dbraw/zinc/33/52/49/984335249.db2.gz	AFCCGIPBPRKVGY-QMMMGPOBSA-N	-1	0	278.264	0.627	20	30		CCEDRM
C=CCN1CC[C@H](N(C)c2cc(C(=O)[O-])ncn2)C1=O	ZINC001588838806	984341852	/nfs/dbraw/zinc/34/18/52/984341852.db2.gz	KLCASLFIBCAONK-JTQLQIEISA-N	-1	0	276.296	0.398	20	30		CCEDRM
C=CCOC[C@@H](NC(=O)C1CCSCC1)C(=O)[O-]	ZINC001588855190	984391383	/nfs/dbraw/zinc/39/13/83/984391383.db2.gz	BKNKLCKUOAUVDL-SNVBAGLBSA-N	-1	0	273.354	0.902	20	30		CCEDRM
C=CCOC[C@H](NC(=O)O[C@@H](C)COC)C(=O)[O-]	ZINC001588856520	984400992	/nfs/dbraw/zinc/40/09/92/984400992.db2.gz	LJIZJJHPAVLPBZ-IUCAKERBSA-N	-1	0	261.274	0.403	20	30		CCEDRM
C=CCOC[C@@H](NC(=O)c1ccc(=O)[nH]c1)C(=O)[O-]	ZINC001588861399	984415415	/nfs/dbraw/zinc/41/54/15/984415415.db2.gz	HYMTUMNXEJYTAN-SECBINFHSA-N	-1	0	266.253	0.173	20	30		CCEDRM
C=CCOC[C@@H](NC(=O)c1cccc2c[nH]nc21)C(=O)[O-]	ZINC001588861669	984415972	/nfs/dbraw/zinc/41/59/72/984415972.db2.gz	JLFWKJFIHPFLHD-LLVKDONJSA-N	-1	0	289.291	0.949	20	30		CCEDRM
C=CCn1c(C[S@](C)=O)nnc1N1CC[C@@H](C(=O)[O-])C1	ZINC001588900681	984521918	/nfs/dbraw/zinc/52/19/18/984521918.db2.gz	KZLAZAFTNMTLIU-YBYGRFCBSA-N	-1	0	298.368	0.254	20	30		CCEDRM
C=CCn1cc(C(=O)OCC(=O)CCC(=O)[O-])nn1	ZINC001588909189	984542812	/nfs/dbraw/zinc/54/28/12/984542812.db2.gz	NNXZENYAHCRHFR-UHFFFAOYSA-N	-1	0	267.241	0.055	20	30		CCEDRM
C=CCn1cc(CNC(=O)NC/C=C(/C)C(=O)[O-])nn1	ZINC001588909494	984544827	/nfs/dbraw/zinc/54/48/27/984544827.db2.gz	WOJJUZDBOFQSMY-WTKPLQERSA-N	-1	0	279.300	0.294	20	30		CCEDRM
C=CCn1nnnc1Sc1ncc(C(=O)[O-])cn1	ZINC001588912060	984550303	/nfs/dbraw/zinc/55/03/03/984550303.db2.gz	BVHAAXXLIHCLHI-UHFFFAOYSA-N	-1	0	264.270	0.499	20	30		CCEDRM
C=C[C@@H]1OCC[C@H]1C(=O)Nc1ccnc(C(=O)[O-])n1	ZINC001588916391	984560722	/nfs/dbraw/zinc/56/07/22/984560722.db2.gz	JUBHQHNHMPCIIR-SFYZADRCSA-N	-1	0	263.253	0.704	20	30		CCEDRM
C=C[C@H](CO)NCC(=O)Nc1ccc(C(=O)[O-])cc1	ZINC001588919362	984571767	/nfs/dbraw/zinc/57/17/67/984571767.db2.gz	IUPOLVFDZSARHZ-SNVBAGLBSA-N	-1	0	264.281	0.460	20	30		CCEDRM
CC#CCCNC(=O)N1CCC([C@@H](O)C(=O)[O-])CC1	ZINC001588927428	984598662	/nfs/dbraw/zinc/59/86/62/984598662.db2.gz	XQYKWZZZZRWGJU-LLVKDONJSA-N	-1	0	268.313	0.267	20	30		CCEDRM
CC#CCNC(=O)COCc1ocnc1C(=O)[O-]	ZINC001588932437	984608149	/nfs/dbraw/zinc/60/81/49/984608149.db2.gz	VHJBFSFZZRCHEB-UHFFFAOYSA-N	-1	0	252.226	0.029	20	30		CCEDRM
C[C@H]1CN(C(=O)NCCCC#N)C[C@@H](C(=O)[O-])O1	ZINC001599920641	985127298	/nfs/dbraw/zinc/12/72/98/985127298.db2.gz	NVOQCJFIJHYZHZ-IUCAKERBSA-N	-1	0	255.274	0.174	20	30		CCEDRM
C[C@H]1CN(C(=O)c2ccsc2C#N)C[C@@H](C(=O)[O-])O1	ZINC001599926230	985203608	/nfs/dbraw/zinc/20/36/08/985203608.db2.gz	MIJYVOZNKBWMBG-CBAPKCEASA-N	-1	0	280.305	0.934	20	30		CCEDRM
C[C@H]1CN(C(=O)[C@H]2CC[C@H]2C(=O)[O-])C[C@H](C)N1CC#N	ZINC001594486682	985567626	/nfs/dbraw/zinc/56/76/26/985567626.db2.gz	VXHQTSAWVKUNFC-FIQHERPVSA-N	-1	0	279.340	0.542	20	30		CCEDRM
Cc1c(C#N)cccc1C(=O)N1CCC[C@@H](O)[C@@H]1C(=O)[O-]	ZINC001599973457	986049309	/nfs/dbraw/zinc/04/93/09/986049309.db2.gz	UPADQEKMWMAKEH-CHWSQXEVSA-N	-1	0	288.303	0.917	20	30		CCEDRM
Cc1c(C#N)c(NC(=O)CCCC(=O)[O-])nn1C	ZINC001599974355	986065186	/nfs/dbraw/zinc/06/51/86/986065186.db2.gz	RNDPAEAJRACGEY-UHFFFAOYSA-N	-1	0	250.258	0.794	20	30		CCEDRM
C[C@@H](C#N)CNC(=O)N1CCSC[C@@H](C(=O)[O-])C1	ZINC001589331049	986183012	/nfs/dbraw/zinc/18/30/12/986183012.db2.gz	ZCHKXEJKEMWCCU-IUCAKERBSA-N	-1	0	271.342	0.605	20	30		CCEDRM
C[C@@H](C#N)N(C1CC1)S(=O)(=O)CC(C)(C)C(=O)[O-]	ZINC001589331335	986184317	/nfs/dbraw/zinc/18/43/17/986184317.db2.gz	BAVYANYJEJGKMO-QMMMGPOBSA-N	-1	0	274.342	0.803	20	30		CCEDRM
C[C@H](C(=O)NCC(=O)[O-])N1Cc2cccc(C#N)c2C1	ZINC001589401463	986572002	/nfs/dbraw/zinc/57/20/02/986572002.db2.gz	SYQACDMZLICWFH-SECBINFHSA-N	-1	0	273.292	0.463	20	30		CCEDRM
C[C@H](C(=O)NCc1ccccc1C(=O)[O-])n1cnc(C#N)n1	ZINC001589416239	986653026	/nfs/dbraw/zinc/65/30/26/986653026.db2.gz	UDZAGCOTKSDFIW-SECBINFHSA-N	-1	0	299.290	0.725	20	30		CCEDRM
CC[C@@H](C#N)C(=O)N[C@H](CCC1OCCO1)C(=O)[O-]	ZINC001594722963	987218162	/nfs/dbraw/zinc/21/81/62/987218162.db2.gz	YDMKPSSPPKFNFW-DTWKUNHWSA-N	-1	0	270.285	0.259	20	30		CCEDRM
CC(C)(C#N)CNC(=O)N1CCSC[C@H](C(=O)[O-])C1	ZINC001589554597	987301386	/nfs/dbraw/zinc/30/13/86/987301386.db2.gz	GILQZAAAVRIKTM-SECBINFHSA-N	-1	0	285.369	0.995	20	30		CCEDRM
CC(C)(C#N)CCOC(=O)Cn1cc(C(=O)[O-])nn1	ZINC001589554657	987302100	/nfs/dbraw/zinc/30/21/00/987302100.db2.gz	JPYCLCIXDJEKJC-UHFFFAOYSA-N	-1	0	266.257	0.459	20	30		CCEDRM
C[C@@H](C#N)NS(=O)(=O)c1cc(F)cc(C(=O)[O-])c1	ZINC001599830474	988665368	/nfs/dbraw/zinc/66/53/68/988665368.db2.gz	XDIDMMXJACUZLC-LURJTMIESA-N	-1	0	272.257	0.714	20	30		CCEDRM
C[C@@H]1CN(C(=O)c2coc(C#N)c2)C[C@@H](C(=O)[O-])O1	ZINC001599864325	989219166	/nfs/dbraw/zinc/21/91/66/989219166.db2.gz	UOYIRAQZMGEQOD-XCBNKYQSSA-N	-1	0	264.237	0.465	20	30		CCEDRM
C[C@@H]1C[C@H](C(=O)[C@H](C#N)c2nccn2C)O[C@H]1C(=O)[O-]	ZINC001599871230	989353132	/nfs/dbraw/zinc/35/31/32/989353132.db2.gz	SZRWBUQQWVOQRB-PKIKSRDPSA-N	-1	0	277.280	0.475	20	30		CCEDRM
C[C@@H]1C[C@H](C(=O)N2CCC[C@@H](C#N)C2)O[C@H]1C(=O)[O-]	ZINC001599873330	989383721	/nfs/dbraw/zinc/38/37/21/989383721.db2.gz	NFDQIOWZEFBBCS-LMLFDSFASA-N	-1	0	266.297	0.627	20	30		CCEDRM
C[C@@H]1C[C@H](C(=O)NCC2(C#N)CC2)O[C@H]1C(=O)[O-]	ZINC001599874723	989403659	/nfs/dbraw/zinc/40/36/59/989403659.db2.gz	IDYUHOCFWXDUHP-IWSPIJDZSA-N	-1	0	252.270	0.285	20	30		CCEDRM
CCn1ncc(Cl)c1C(=O)N(CC#N)CCC(=O)[O-]	ZINC001597958365	989976057	/nfs/dbraw/zinc/97/60/57/989976057.db2.gz	MFFYQKSHPUHOEZ-UHFFFAOYSA-N	-1	0	284.703	0.997	20	30		CCEDRM
CC(C)(C)n1cc(CN(CC#N)CC(=O)[O-])nn1	ZINC001590593673	990248528	/nfs/dbraw/zinc/24/85/28/990248528.db2.gz	RQBZOHBWSKZMIH-UHFFFAOYSA-N	-1	0	251.290	0.443	20	30		CCEDRM
CC(C)(CNC(=O)N1CCN(CCC#N)CC1)C(=O)[O-]	ZINC001590717549	990483948	/nfs/dbraw/zinc/48/39/48/990483948.db2.gz	PBORVCRTDWPQRT-UHFFFAOYSA-N	-1	0	282.344	0.338	20	30		CCEDRM
CC(C)(CNc1ccc(C(=O)[O-])nc1C#N)OCCO	ZINC001590774540	990578931	/nfs/dbraw/zinc/57/89/31/990578931.db2.gz	ZIPQPEBITRRRFQ-UHFFFAOYSA-N	-1	0	279.296	0.851	20	30		CCEDRM
CC(C)(NS(=O)(=O)c1cccc(C#N)c1)[C@@H](O)C(=O)[O-]	ZINC001590879952	990796680	/nfs/dbraw/zinc/79/66/80/990796680.db2.gz	XKIWSUMRKVIUIN-JTQLQIEISA-N	-1	0	298.320	0.061	20	30		CCEDRM
CC(C)C#CC(=O)N1CCN([C@]2(C(=O)[O-])CCOC2)CC1	ZINC001590927093	990930864	/nfs/dbraw/zinc/93/08/64/990930864.db2.gz	RFVXJRHRNRSZDF-OAHLLOKOSA-N	-1	0	294.351	0.034	20	30		CCEDRM
CC(C)C#CC(=O)NC[C@H](C(=O)[O-])[C@H]1CCOC1	ZINC001590927750	990936469	/nfs/dbraw/zinc/93/64/69/990936469.db2.gz	KIRYQSOLICHQDC-QWRGUYRKSA-N	-1	0	253.298	0.499	20	30		CCEDRM
COc1cccc2c(C(=O)N(CC#N)CC(=O)[O-])cnn21	ZINC001599688331	991025357	/nfs/dbraw/zinc/02/53/57/991025357.db2.gz	FCJRITDJFGKNNA-UHFFFAOYSA-N	-1	0	288.263	0.393	20	30		CCEDRM
CN(C)c1ncnc(Cl)c1CN(CC#N)CC(=O)[O-]	ZINC001598360158	991500078	/nfs/dbraw/zinc/50/00/78/991500078.db2.gz	NSCKNSXAQAAJMB-UHFFFAOYSA-N	-1	0	283.719	0.606	20	30		CCEDRM
COc1ncc(NC(=O)C2(C(=O)[O-])CC2)cc1C#N	ZINC001599733923	991746038	/nfs/dbraw/zinc/74/60/38/991746038.db2.gz	JKJMIMZTQOXTSR-UHFFFAOYSA-N	-1	0	261.237	0.765	20	30		CCEDRM
CN(C[C@H](O)c1cccc(C#N)c1)C(=O)COCC(=O)[O-]	ZINC001598436484	991830207	/nfs/dbraw/zinc/83/02/07/991830207.db2.gz	GZZXVAZAFNMPCP-LBPRGKRZSA-N	-1	0	292.291	0.151	20	30		CCEDRM
CN(CCN(C)C(=O)[C@H]1C[C@@H]1C(=O)[O-])C(=O)C#CC1CC1	ZINC001598486595	992214410	/nfs/dbraw/zinc/21/44/10/992214410.db2.gz	RSGKRVOIGXPCJQ-RYUDHWBXSA-N	-1	0	292.335	0.037	20	30		CCEDRM
CN(CCNc1ccc(C#N)cn1)C(=O)[C@@H]1C[C@H]1C(=O)[O-]	ZINC001598495297	992350727	/nfs/dbraw/zinc/35/07/27/992350727.db2.gz	DPJVCPQZNISHPR-GHMZBOCLSA-N	-1	0	288.307	0.544	20	30		CCEDRM
CN(CCNc1ncccc1C#N)C(=O)[C@H]1C[C@H]1C(=O)[O-]	ZINC001598495789	992358863	/nfs/dbraw/zinc/35/88/63/992358863.db2.gz	OBXVFXNEYCDHSE-WDEREUQCSA-N	-1	0	288.307	0.544	20	30		CCEDRM
CN(Cc1ccco1)C(=O)CN(CC#N)CCC(=O)[O-]	ZINC001598531895	992791797	/nfs/dbraw/zinc/79/17/97/992791797.db2.gz	BNSFZRYMNLHPRL-UHFFFAOYSA-N	-1	0	279.296	0.538	20	30		CCEDRM
C[C@H](NC(=O)OC(C)(C)C)C(=O)N(CC#N)CCC(=O)[O-]	ZINC001593126180	993868985	/nfs/dbraw/zinc/86/89/85/993868985.db2.gz	YIBZDVPFBMXINO-VIFPVBQESA-N	-1	0	299.327	0.726	20	30		CCEDRM
CNC(=O)[C@H]1CCC[C@@H]1Nc1ccc(C(=O)[O-])nc1C#N	ZINC001598635888	994247339	/nfs/dbraw/zinc/24/73/39/994247339.db2.gz	PYKBECXDSBLEQU-IUCAKERBSA-N	-1	0	288.307	0.978	20	30		CCEDRM
COC(=O)C1(C#N)CCN(c2ccnc(C(=O)[O-])n2)CC1	ZINC001598716922	995422384	/nfs/dbraw/zinc/42/23/84/995422384.db2.gz	VMYQIOSJBXVCFW-UHFFFAOYSA-N	-1	0	290.279	0.458	20	30		CCEDRM
COC(=O)[C@@H]1CC[C@@H](C(=O)[O-])CN1Cc1ccc(C#N)o1	ZINC001598779077	995962868	/nfs/dbraw/zinc/96/28/68/995962868.db2.gz	QFNDSFLOKZGOCR-SKDRFNHKSA-N	-1	0	292.291	0.989	20	30		CCEDRM
COC(=O)[C@@H]1CN(C[C@H](C#N)CCC#N)C[C@H]1C(=O)[O-]	ZINC001598823736	996359324	/nfs/dbraw/zinc/35/93/24/996359324.db2.gz	WYQAMLOAHJPUAR-HBNTYKKESA-N	-1	0	279.296	0.236	20	30		CCEDRM
C[C@]1(C#N)CCN(CCc2cn(CC(=O)[O-])nn2)C1	ZINC001593743193	996366211	/nfs/dbraw/zinc/36/62/11/996366211.db2.gz	QTMHSBOYQZIGJF-GFCCVEGCSA-N	-1	0	263.301	0.141	20	30		CCEDRM
COC(=O)[C@H]1CN(c2cccnc2C#N)C[C@@H]1C(=O)[O-]	ZINC001598826547	996389029	/nfs/dbraw/zinc/38/90/29/996389029.db2.gz	IZMNTEZEPQDJNR-IUCAKERBSA-N	-1	0	275.264	0.263	20	30		CCEDRM
COC(=O)CC[C@@H](NC(=O)C#Cc1cccs1)C(=O)[O-]	ZINC001598855141	996632011	/nfs/dbraw/zinc/63/20/11/996632011.db2.gz	FNZRORKXFWIQOI-SNVBAGLBSA-N	-1	0	295.316	0.622	20	30		CCEDRM
COC(=O)CN(CC#N)C(=O)c1ccc(C(=O)[O-])o1	ZINC001598860768	996673052	/nfs/dbraw/zinc/67/30/52/996673052.db2.gz	HPVLLSAQQSNUQA-UHFFFAOYSA-N	-1	0	266.209	0.117	20	30		CCEDRM
COC[C@H](NC(=O)c1ccsc1C#N)C(=O)[O-]	ZINC001599175994	996844643	/nfs/dbraw/zinc/84/46/43/996844643.db2.gz	SWSJXZRBNPILKD-ZETCQYMHSA-N	-1	0	254.267	0.449	20	30		CCEDRM
COCc1cc(C(=O)[O-])cc(S(=O)(=O)N[C@@H](C)C#N)c1	ZINC001599281260	996899247	/nfs/dbraw/zinc/89/92/47/996899247.db2.gz	UMISFBZJRDNOLM-QMMMGPOBSA-N	-1	0	298.320	0.722	20	30		CCEDRM
COC[C@@H](OC(=O)c1cc(C#N)cn1C)C(=O)[O-]	ZINC001599183259	996982458	/nfs/dbraw/zinc/98/24/58/996982458.db2.gz	KLRFMZWDRMCDAG-SECBINFHSA-N	-1	0	252.226	0.153	20	30		CCEDRM
COC[C@@H](OC(=O)c1cc(C#N)[nH]c1C)C(=O)[O-]	ZINC001599185080	997011848	/nfs/dbraw/zinc/01/18/48/997011848.db2.gz	UVKYNBSBKWAOMR-SECBINFHSA-N	-1	0	252.226	0.451	20	30		CCEDRM
COc1cc(C)cc(C(=O)N(CC#N)CC(=O)[O-])c1O	ZINC001599391900	997053541	/nfs/dbraw/zinc/05/35/41/997053541.db2.gz	LGFZOKWGUSAKFN-UHFFFAOYSA-N	-1	0	278.264	0.760	20	30		CCEDRM
COC[C@@]1(C(=O)[O-])CCCN1C(=O)c1ccc(C#N)nc1	ZINC001599192184	997142160	/nfs/dbraw/zinc/14/21/60/997142160.db2.gz	JCOXRWJZLDXZDU-CQSZACIVSA-N	-1	0	289.291	0.659	20	30		CCEDRM
CON=CC(=O)N[C@H](Cc1ccccc1O)C(=O)[O-]	ZINC001599319639	997558957	/nfs/dbraw/zinc/55/89/57/997558957.db2.gz	DYQJRDPQKXXDNT-SECBINFHSA-N	-1	0	266.253	0.136	20	30		CCEDRM
CON=CC(=O)N[C@@H](C(=O)[O-])c1cc(F)ccc1F	ZINC001599320271	997569094	/nfs/dbraw/zinc/56/90/94/997569094.db2.gz	LLWBEHZAQSVWLA-SNVBAGLBSA-N	-1	0	272.207	0.839	20	30		CCEDRM
COCCN(CC#N)CC(=O)Nc1ccc(C(=O)[O-])cc1	ZINC001599230814	997849569	/nfs/dbraw/zinc/84/95/69/997849569.db2.gz	CEZRWRHPTKBOKF-UHFFFAOYSA-N	-1	0	291.307	0.795	20	30		CCEDRM
CO[C@@H]1CN([C@@H](C(=O)[O-])c2ccc(C#N)cc2)CCO1	ZINC001599131142	997947586	/nfs/dbraw/zinc/94/75/86/997947586.db2.gz	NFGABEDWRCFSSQ-QWHCGFSZSA-N	-1	0	276.292	0.989	20	30		CCEDRM
COc1cc(C#N)ccc1CN1C[C@H](O)C[C@@H]1C(=O)[O-]	ZINC001599347996	998042506	/nfs/dbraw/zinc/04/25/06/998042506.db2.gz	OWGXOCVQMLOKHA-VXGBXAGGSA-N	-1	0	276.292	0.587	20	30		CCEDRM
COCC#CCN[C@@H](C(=O)[O-])c1ccc(OC)c(O)c1	ZINC001599139019	998094168	/nfs/dbraw/zinc/09/41/68/998094168.db2.gz	REOXFIYBQKXFIJ-CYBMUJFWSA-N	-1	0	279.292	0.766	20	30		CCEDRM
C[C@H]1[C@@H](C(=O)[O-])CCN1C(=O)C(=O)NCCCCC#N	ZINC001594138341	998404468	/nfs/dbraw/zinc/40/44/68/998404468.db2.gz	KATKBFKHVMPLNM-UWVGGRQHSA-N	-1	0	281.312	0.118	20	30		CCEDRM
C[C@@H]1[C@H](C(=O)[O-])CCN1C(=O)C(=O)NCC(C)(C)CC#N	ZINC001594138568	998408293	/nfs/dbraw/zinc/40/82/93/998408293.db2.gz	MLWZJVAUKFHBJB-NXEZZACHSA-N	-1	0	295.339	0.364	20	30		CCEDRM
COC[C@@H](NC(=O)COc1cccc(C#N)c1)C(=O)[O-]	ZINC001599169370	998589677	/nfs/dbraw/zinc/58/96/77/998589677.db2.gz	WQXNOAREQHXCDT-LLVKDONJSA-N	-1	0	278.264	0.153	20	30		CCEDRM
C[C@@H]1[C@@H](C(=O)[O-])CCN1Cn1cccc(C#N)c1=O	ZINC001594166747	998634516	/nfs/dbraw/zinc/63/45/16/998634516.db2.gz	BHZGNIUNRGQELQ-KOLCDFICSA-N	-1	0	261.281	0.472	20	30		CCEDRM
C=CCC[C@@H](NS(=O)(=O)c1cccn1C)C(=O)[O-]	ZINC000573304942	334925716	/nfs/dbraw/zinc/92/57/16/334925716.db2.gz	FWYKHYWHHJJLMM-SECBINFHSA-N	-1	0	272.326	0.723	20	30		CCEDRM
CS(=O)(=O)[N-]c1ccc(C(=O)NCCCC#N)cn1	ZINC000599750718	361805158	/nfs/dbraw/zinc/80/51/58/361805158.db2.gz	MFFFQYYDAWCAAZ-UHFFFAOYSA-N	-1	0	282.325	0.487	20	30		CCEDRM
N#Cc1c[n-]c(=O)n(CC(=O)C2CCC(F)(F)CC2)c1=O	ZINC000576279498	335182002	/nfs/dbraw/zinc/18/20/02/335182002.db2.gz	YZINCCUCAPTSCS-UHFFFAOYSA-N	-1	0	297.261	0.803	20	30		CCEDRM
C=C(C)C[C@H](NC(=O)c1c([N+](=O)[O-])c(C)nn1C)C(=O)[O-]	ZINC000600875441	362085036	/nfs/dbraw/zinc/08/50/36/362085036.db2.gz	SNYXAWKHJTZTEB-QMMMGPOBSA-N	-1	0	296.283	0.786	20	30		CCEDRM
COc1cc(CN=c2[n-]nc(CCO)s2)ccc1C#N	ZINC000601064842	362142364	/nfs/dbraw/zinc/14/23/64/362142364.db2.gz	RUTXYROYDYCBFN-UHFFFAOYSA-N	-1	0	290.348	0.987	20	30		CCEDRM
C[C@@]1(C#N)CCCN(S(=O)(=O)c2ncc[n-]2)C1	ZINC000601391422	362254702	/nfs/dbraw/zinc/25/47/02/362254702.db2.gz	ORPKFBAQLGFSHP-JTQLQIEISA-N	-1	0	254.315	0.724	20	30		CCEDRM
Cn1cc2c(n1)CCC[C@H]2C(=O)N=c1[nH][n-]cc1C#N	ZINC000601639606	362336188	/nfs/dbraw/zinc/33/61/88/362336188.db2.gz	PLDPENFHYZBUCH-SECBINFHSA-N	-1	0	270.296	0.495	20	30		CCEDRM
N#Cc1c[n-][nH]c1=NC(=O)[C@@H]1CCCN1Cc1ccccn1	ZINC000601640998	362337619	/nfs/dbraw/zinc/33/76/19/362337619.db2.gz	KQHIMVVQHVUMIA-ZDUSSCGKSA-N	-1	0	296.334	0.701	20	30		CCEDRM
CC1(C)CCN(C(=O)Cn2cc(C#N)c(=O)[n-]c2=O)CC1	ZINC000602090197	362480666	/nfs/dbraw/zinc/48/06/66/362480666.db2.gz	LXNCGWPHRWBESN-UHFFFAOYSA-N	-1	0	290.323	0.469	20	30		CCEDRM
CN(C(=O)CCn1cc(C#N)c(=O)[n-]c1=O)C(C)(C)C	ZINC000602170279	362541049	/nfs/dbraw/zinc/54/10/49/362541049.db2.gz	GXGFNSLKKGDZLX-UHFFFAOYSA-N	-1	0	278.312	0.468	20	30		CCEDRM
CC[C@H](C)N(CC)C(=O)CCn1cc(C#N)c(=O)[n-]c1=O	ZINC000602178200	362544101	/nfs/dbraw/zinc/54/41/01/362544101.db2.gz	LKAQCFKKZOFHCE-JTQLQIEISA-N	-1	0	292.339	0.858	20	30		CCEDRM
C[C@@]1(C(=O)[O-])CCN(S(=O)(=O)c2cncc(C#N)c2)C1	ZINC000261644086	137013676	/nfs/dbraw/zinc/01/36/76/137013676.db2.gz	CNKXFWQFBPFZMQ-GFCCVEGCSA-N	-1	0	295.320	0.439	20	30		CCEDRM
N#Cc1cccc(CS(=O)(=O)N2CCC[C@@H]2C(=O)[O-])c1	ZINC000036981746	348177176	/nfs/dbraw/zinc/17/71/76/348177176.db2.gz	KKSIZPWDKYGFOB-GFCCVEGCSA-N	-1	0	294.332	0.937	20	30		CCEDRM
C=CCNS(=O)(=O)c1ccc(OCC(=O)[O-])cc1	ZINC000036969608	348175978	/nfs/dbraw/zinc/17/59/78/348175978.db2.gz	QGKFTDSKFIFVDP-UHFFFAOYSA-N	-1	0	271.294	0.614	20	30		CCEDRM
Cn1cc(C#N)c(=NC(=O)N2CC[C@@](C)(C#N)C2)[n-]1	ZINC000602884224	362863527	/nfs/dbraw/zinc/86/35/27/362863527.db2.gz	ALSQBGYKAGYPON-LBPRGKRZSA-N	-1	0	258.285	0.481	20	30		CCEDRM
C=CCN(C(=O)N=c1[n-]n(C)cc1C#N)[C@H](C)COC	ZINC000602885994	362864251	/nfs/dbraw/zinc/86/42/51/362864251.db2.gz	HQHWNYFZSRMIRC-SNVBAGLBSA-N	-1	0	277.328	0.768	20	30		CCEDRM
C[C@H]1CN(C(=O)N=c2[n-]n(C)cc2C#N)CC2(CCC2)O1	ZINC000602889139	362867500	/nfs/dbraw/zinc/86/75/00/362867500.db2.gz	XCKDOWCVJWVFBB-JTQLQIEISA-N	-1	0	289.339	0.889	20	30		CCEDRM
C[C@@]1(CCC(=O)Nc2nc(C#N)c(C#N)[n-]2)CCC(=O)N1	ZINC000345842959	137255474	/nfs/dbraw/zinc/25/54/74/137255474.db2.gz	WPOCYIGQCPXODY-CYBMUJFWSA-N	-1	0	286.295	0.540	20	30		CCEDRM
C[C@@H](CN(C)C(=O)c1ccc(C#N)o1)c1nnn[n-]1	ZINC000346561342	137293344	/nfs/dbraw/zinc/29/33/44/137293344.db2.gz	ZWFAMCNORYEQAP-ZETCQYMHSA-N	-1	0	260.257	0.540	20	30		CCEDRM
C[C@H](OCC1CC1)C(=O)Nc1nc(C#N)c(C#N)[n-]1	ZINC000049137453	348443367	/nfs/dbraw/zinc/44/33/67/348443367.db2.gz	DKSVVIYCJOVTMA-ZETCQYMHSA-N	-1	0	259.269	0.907	20	30		CCEDRM
Cc1cc(O)c(C(=O)[O-])cc1S(=O)(=O)NC[C@H](C)C#N	ZINC000054156595	348544150	/nfs/dbraw/zinc/54/41/50/348544150.db2.gz	WXUYRXOEFYLSOC-SSDOTTSWSA-N	-1	0	298.320	0.837	20	30		CCEDRM
C[C@@H](CC#N)N(C)S(=O)(=O)N1CCC(C(=O)[O-])CC1	ZINC000063088065	348675926	/nfs/dbraw/zinc/67/59/26/348675926.db2.gz	HMRZNIWPUAIWEC-VIFPVBQESA-N	-1	0	289.357	0.262	20	30		CCEDRM
C=CCC1(NC(=O)c2cc(=O)n(C)[n-]2)CCOCC1	ZINC000618251673	365959894	/nfs/dbraw/zinc/95/98/94/365959894.db2.gz	OQFUWFMXGAARTQ-UHFFFAOYSA-N	-1	0	265.313	0.981	20	30		CCEDRM
COC[C@@H](NS(=O)(=O)c1cc(C#N)ccc1C)C(=O)[O-]	ZINC000158602590	350660632	/nfs/dbraw/zinc/66/06/32/350660632.db2.gz	BNTLRONNBQDVAB-SNVBAGLBSA-N	-1	0	298.320	0.245	20	30		CCEDRM
CC(C)(O)C[N-]S(=O)(=O)c1c(F)cc(C#N)cc1F	ZINC000161005069	350710419	/nfs/dbraw/zinc/71/04/19/350710419.db2.gz	IMCWNRQFWRGVNH-UHFFFAOYSA-N	-1	0	290.291	0.886	20	30		CCEDRM
CN(CC(=O)[O-])S(=O)(=O)c1ccc(C#N)c(Cl)c1	ZINC000168595984	350828990	/nfs/dbraw/zinc/82/89/90/350828990.db2.gz	PFBHFIBSZQWGIE-UHFFFAOYSA-N	-1	0	288.712	0.917	20	30		CCEDRM
C[C@@H](NS(=O)(=O)c1cccc(Cl)c1C#N)C(N)=O	ZINC000178501396	351233847	/nfs/dbraw/zinc/23/38/47/351233847.db2.gz	LEBOBDOQJMLARW-ZCFIWIBFSA-N	-1	0	287.728	0.364	20	30		CCEDRM
N#Cc1ccc(S(=O)(=O)N2CC[C@H]2C(=O)[O-])cc1F	ZINC000291946195	198113383	/nfs/dbraw/zinc/11/33/83/198113383.db2.gz	YVPZTVAOXOROFP-JTQLQIEISA-N	-1	0	284.268	0.545	20	30		CCEDRM
CO[C@H](CNC(=O)[C@@H](C)Oc1ccccc1C#N)C(=O)[O-]	ZINC000227261684	352041740	/nfs/dbraw/zinc/04/17/40/352041740.db2.gz	VTHMSMSDCCRQIC-BXKDBHETSA-N	-1	0	292.291	0.541	20	30		CCEDRM
C=CCN(CC(=O)[O-])S(=O)(=O)c1ccc(C#N)s1	ZINC000230325841	352111435	/nfs/dbraw/zinc/11/14/35/352111435.db2.gz	HHRJBPNMJIPNJK-UHFFFAOYSA-N	-1	0	286.334	0.881	20	30		CCEDRM
C=CCSCCNC(=O)N[C@@H](CCOC)C(=O)[O-]	ZINC000231957098	352139162	/nfs/dbraw/zinc/13/91/62/352139162.db2.gz	GBDGOIMBLJIRTG-VIFPVBQESA-N	-1	0	276.358	0.695	20	30		CCEDRM
C[C@H](Oc1ccc(C#N)cc1)C(=O)NCc1n[n-]c(=N)o1	ZINC000354836299	137595966	/nfs/dbraw/zinc/59/59/66/137595966.db2.gz	MQNIADJEKLKUQL-QMMMGPOBSA-N	-1	0	287.279	0.438	20	30		CCEDRM
C#CCN(CC)C(=O)c1cc(C)c2c(=O)[n-]c(=O)nc-2[nH]1	ZINC000266841588	352725951	/nfs/dbraw/zinc/72/59/51/352725951.db2.gz	MUUFHKONEDXUCJ-UHFFFAOYSA-N	-1	0	286.291	0.840	20	30		CCEDRM
C=CC[C@@H](NS(=O)(=O)N(C)CCC)C(=O)[O-]	ZINC000274945460	353174875	/nfs/dbraw/zinc/17/48/75/353174875.db2.gz	RQMNBJJHSHFLFC-MRVPVSSYSA-N	-1	0	250.320	0.192	20	30		CCEDRM
C[C@H](O)CC[N-]S(=O)(=O)c1c(F)cc(C#N)cc1F	ZINC000154303087	188134690	/nfs/dbraw/zinc/13/46/90/188134690.db2.gz	JORBPANALKQHDT-ZETCQYMHSA-N	-1	0	290.291	0.886	20	30		CCEDRM
CC(C)[C@@H](CNS(=O)(=O)c1ccc(C#N)o1)C(=O)[O-]	ZINC000287199399	353631312	/nfs/dbraw/zinc/63/13/12/353631312.db2.gz	LQEGOCRSAKMZES-SECBINFHSA-N	-1	0	286.309	0.786	20	30		CCEDRM
N#Cc1ccc2c(c1)N(C(=O)C(=O)[N-]OCC1CC1)CC2	ZINC000293194966	353796186	/nfs/dbraw/zinc/79/61/86/353796186.db2.gz	BJOCRLMXQNLJKD-UHFFFAOYSA-N	-1	0	285.303	0.905	20	30		CCEDRM
N#Cc1ncn(CC(=O)Nc2cccc(C(=O)[O-])c2)n1	ZINC000557701395	291042741	/nfs/dbraw/zinc/04/27/41/291042741.db2.gz	NMFFZFCOWFZVSN-UHFFFAOYSA-N	-1	0	271.236	0.487	20	30		CCEDRM
Cn1cc(C#N)c(=NC(=O)NC(C)(C)C(F)F)[n-]1	ZINC000619320228	366235820	/nfs/dbraw/zinc/23/58/20/366235820.db2.gz	UCAINYOXAGYKHR-UHFFFAOYSA-N	-1	0	257.244	0.879	20	30		CCEDRM
Cn1cc(C#N)c(=NC(=O)NCC2(C(F)F)CC2)[n-]1	ZINC000619320159	366236036	/nfs/dbraw/zinc/23/60/36/366236036.db2.gz	OXISMWYDYLIXTN-UHFFFAOYSA-N	-1	0	269.255	0.880	20	30		CCEDRM
N#Cc1cncc(S(=O)(=O)[N-]c2ncccn2)c1	ZINC000336786887	355159675	/nfs/dbraw/zinc/15/96/75/355159675.db2.gz	CXQIQEGWLAOJCV-UHFFFAOYSA-N	-1	0	261.266	0.544	20	30		CCEDRM
COc1cncc(S(=O)(=O)[N-]c2n[nH]c(C)c2C#N)c1	ZINC000337270894	355293804	/nfs/dbraw/zinc/29/38/04/355293804.db2.gz	BHUMAZBIHBJJMC-UHFFFAOYSA-N	-1	0	293.308	0.794	20	30		CCEDRM
N#Cc1ccsc1C(=O)NCCc1n[n-]c(=N)o1	ZINC000348267640	355899072	/nfs/dbraw/zinc/89/90/72/355899072.db2.gz	BQASBBFUEUTNLH-UHFFFAOYSA-N	-1	0	263.282	0.388	20	30		CCEDRM
CS(=O)(=O)c1nc(NC(=O)c2cccc(C#N)c2)n[n-]1	ZINC000352791742	356081370	/nfs/dbraw/zinc/08/13/70/356081370.db2.gz	ISAZDZYNSMRZLN-UHFFFAOYSA-N	-1	0	291.292	0.332	20	30		CCEDRM
C=CCOCCCC(=O)N(C)C[C@H](C)c1nnn[n-]1	ZINC000273561155	192204780	/nfs/dbraw/zinc/20/47/80/192204780.db2.gz	XJCJCZWDJOGMNQ-JTQLQIEISA-N	-1	0	267.333	0.744	20	30		CCEDRM
COCc1n[n-]c(S(=O)(=O)Cc2cccc(C#N)c2)n1	ZINC000353875855	356308703	/nfs/dbraw/zinc/30/87/03/356308703.db2.gz	IXILXUKGONPNNO-UHFFFAOYSA-N	-1	0	292.320	0.797	20	30		CCEDRM
CSc1[n-]c(=O)c(C(=O)N(C)C2CC(O)C2)cc1C#N	ZINC000354279565	356380569	/nfs/dbraw/zinc/38/05/69/356380569.db2.gz	AMGUUDOJEWUWSQ-UHFFFAOYSA-N	-1	0	293.348	0.976	20	30		CCEDRM
COC(=O)c1ccc(=NC(=O)c2ccnc(C#N)c2)[n-]n1	ZINC000619603919	366295266	/nfs/dbraw/zinc/29/52/66/366295266.db2.gz	AVYBCPULRDBZRD-UHFFFAOYSA-N	-1	0	283.247	0.204	20	30		CCEDRM
CO[C@@H]1CCN(C(=O)N=c2[n-]n(C)cc2C#N)[C@@H](C)C1	ZINC000619662354	366315734	/nfs/dbraw/zinc/31/57/34/366315734.db2.gz	CNFNZPYLGWKXJS-GXSJLCMTSA-N	-1	0	277.328	0.745	20	30		CCEDRM
N#Cc1c(C2CC2)[n-][nH]c1=NC(=O)c1cc[nH]c(=O)c1	ZINC000359726185	356880461	/nfs/dbraw/zinc/88/04/61/356880461.db2.gz	QKQVMPNQMHCMDL-UHFFFAOYSA-N	-1	0	269.264	0.934	20	30		CCEDRM
Cn1cc(C#N)c(=NC(=O)N[C@H](CO)c2ccccc2)[n-]1	ZINC000610527869	363572778	/nfs/dbraw/zinc/57/27/78/363572778.db2.gz	WGVSGURCCDUISX-GFCCVEGCSA-N	-1	0	285.307	0.569	20	30		CCEDRM
C[C@H]1OCC[C@H]1C(=O)N=c1[nH][n-]c(C2CC2)c1C#N	ZINC000408173213	357952543	/nfs/dbraw/zinc/95/25/43/357952543.db2.gz	HJZCKQXKEJPHMR-VXNVDRBHSA-N	-1	0	260.297	0.944	20	30		CCEDRM
Cn1cc(C#N)c(=NC(=O)NCc2ccc(F)cn2)[n-]1	ZINC000610793010	363615418	/nfs/dbraw/zinc/61/54/18/363615418.db2.gz	NIQQTKPXFGZRRP-UHFFFAOYSA-N	-1	0	274.259	0.569	20	30		CCEDRM
N#CCC1(CS(=O)(=O)NCCSCC(=O)[O-])CC1	ZINC000580717243	359087597	/nfs/dbraw/zinc/08/75/97/359087597.db2.gz	BWNXYQHRFINETF-UHFFFAOYSA-N	-1	0	292.382	0.417	20	30		CCEDRM
Cn1nncc1S(=O)(=O)[N-]c1ccc(F)cc1C#N	ZINC000585776169	359272934	/nfs/dbraw/zinc/27/29/34/359272934.db2.gz	PYOSBYRSEVKDBK-UHFFFAOYSA-N	-1	0	281.272	0.627	20	30		CCEDRM
CCC[C@]1(CO)CCN(C(=O)N=c2[n-]n(C)cc2C#N)C1	ZINC000589001996	359354951	/nfs/dbraw/zinc/35/49/51/359354951.db2.gz	ITZXIVFGRYPMMV-AWEZNQCLSA-N	-1	0	291.355	0.730	20	30		CCEDRM
Cc1nnc([C@@H](C)NC(=O)N=c2[n-]n(C)cc2C#N)[nH]1	ZINC000588259902	359319732	/nfs/dbraw/zinc/31/97/32/359319732.db2.gz	QJDYWNRFEOZUFG-ZCFIWIBFSA-N	-1	0	274.288	0.023	20	30		CCEDRM
Cc1cc(C#N)cnc1C(=O)NCc1n[nH]c(=O)[n-]1	ZINC000590290410	359434636	/nfs/dbraw/zinc/43/46/36/359434636.db2.gz	HSWITVWBPTWOMM-UHFFFAOYSA-N	-1	0	258.241	0.015	20	30		CCEDRM
CCOC(=O)c1cc(=NC(=O)c2cnccc2C#N)[nH][n-]1	ZINC000589845259	359406114	/nfs/dbraw/zinc/40/61/14/359406114.db2.gz	GDIMDWPMFCQFBO-UHFFFAOYSA-N	-1	0	285.263	0.527	20	30		CCEDRM
Cc1n[nH]c(C(=O)NC2(C#N)CCSCC2)c1[O-]	ZINC000611118901	363662483	/nfs/dbraw/zinc/66/24/83/363662483.db2.gz	ACMCNAJRNULQIP-UHFFFAOYSA-N	-1	0	266.326	0.943	20	30		CCEDRM
C=C[C@@H]1OCC[C@H]1NC(=O)N=c1ccc(C(=O)OC)n[n-]1	ZINC000590833724	359528198	/nfs/dbraw/zinc/52/81/98/359528198.db2.gz	JMRRHKNHGYGQIN-SCZZXKLOSA-N	-1	0	292.295	0.150	20	30		CCEDRM
C[C@H]1C[C@H](NC(=O)N=c2[n-]n(C)cc2C#N)CS1	ZINC000591338148	359579347	/nfs/dbraw/zinc/57/93/47/359579347.db2.gz	NHBDBZNYRIFHTJ-CBAPKCEASA-N	-1	0	265.342	0.729	20	30		CCEDRM
CCOC(=O)C[C@H](C)CNC(=O)N=c1[n-]n(C)cc1C#N	ZINC000611169529	363669449	/nfs/dbraw/zinc/66/94/49/363669449.db2.gz	QVHDBLYCTOGOSC-VIFPVBQESA-N	-1	0	293.327	0.424	20	30		CCEDRM
C[C@H]1CCC[C@@](C#N)(NC(=O)c2n[nH]c(=O)[n-]c2=O)C1	ZINC000611219923	363686034	/nfs/dbraw/zinc/68/60/34/363686034.db2.gz	UYUTUZGKXCHVOR-JVXZTZIISA-N	-1	0	277.284	0.485	20	30		CCEDRM
Cc1c(C#N)c(=NC(=O)[C@H]2CCCOCC2)[n-]n1C	ZINC000592650084	359909252	/nfs/dbraw/zinc/90/92/52/359909252.db2.gz	MWFVDVQCKKASJC-JTQLQIEISA-N	-1	0	262.313	0.777	20	30		CCEDRM
N#CC[C@]1(O)CCN(C(=O)c2s[n-]c(=O)c2Cl)C1	ZINC000592852667	359956368	/nfs/dbraw/zinc/95/63/68/359956368.db2.gz	MLNLCUSBSYUODF-JTQLQIEISA-N	-1	0	287.728	0.993	20	30		CCEDRM
CC#CC[C@H](CO)NC(=O)c1cc([N+](=O)[O-])ccc1[O-]	ZINC000592926650	359984271	/nfs/dbraw/zinc/98/42/71/359984271.db2.gz	URMRATZDNHVBHA-SECBINFHSA-N	-1	0	278.264	0.805	20	30		CCEDRM
N#Cc1sccc1S(=O)(=O)NC1(C(=O)[O-])CCC1	ZINC000593271386	360058648	/nfs/dbraw/zinc/05/86/48/360058648.db2.gz	RERXBBFCBATXIY-UHFFFAOYSA-N	-1	0	286.334	0.905	20	30		CCEDRM
CC(C)n1cnc([N-]S(=O)(=O)c2ccc(C#N)nc2)n1	ZINC000593284149	360060514	/nfs/dbraw/zinc/06/05/14/360060514.db2.gz	LQYSUORRIBLTEA-UHFFFAOYSA-N	-1	0	292.324	0.926	20	30		CCEDRM
CC[C@H](C#N)C(=O)N1CCC(c2n[nH]c(=O)[n-]2)CC1	ZINC000593672312	360132883	/nfs/dbraw/zinc/13/28/83/360132883.db2.gz	AWFDTRBKAGJNBF-MRVPVSSYSA-N	-1	0	263.301	0.766	20	30		CCEDRM
C[C@@H](CNS(=O)(=O)Cc1ccc(CC#N)cc1)C(=O)[O-]	ZINC000593945644	360221417	/nfs/dbraw/zinc/22/14/17/360221417.db2.gz	VJJORAWQZQJDGZ-JTQLQIEISA-N	-1	0	296.348	0.893	20	30		CCEDRM
CN(CCC#N)S(=O)(=O)N(CC(=O)[O-])C1CCC1	ZINC000593945131	360221426	/nfs/dbraw/zinc/22/14/26/360221426.db2.gz	ICJSCDDKQJKNSG-UHFFFAOYSA-N	-1	0	275.330	0.016	20	30		CCEDRM
C[C@H](Cc1ccc(C#N)cc1)C(=O)NCc1nnn[n-]1	ZINC000594288361	360269406	/nfs/dbraw/zinc/26/94/06/360269406.db2.gz	VCWOBWRJFNGKPA-SECBINFHSA-N	-1	0	270.296	0.566	20	30		CCEDRM
C[C@H](Cc1ccc(C#N)cc1)C(=O)NCc1n[nH]c(=O)[n-]1	ZINC000594307186	360270857	/nfs/dbraw/zinc/27/08/57/360270857.db2.gz	HCNGPAHNKXYMCR-SECBINFHSA-N	-1	0	285.307	0.877	20	30		CCEDRM
Cc1c(C#N)cccc1NC(=O)C(=O)NC[C@H](C)C(=O)[O-]	ZINC000594527817	360326358	/nfs/dbraw/zinc/32/63/58/360326358.db2.gz	NQTNNLOAHBKZEO-QMMMGPOBSA-N	-1	0	289.291	0.642	20	30		CCEDRM
C[C@H](CNC(=O)C(=O)Nc1sccc1C#N)C(=O)[O-]	ZINC000594531627	360327201	/nfs/dbraw/zinc/32/72/01/360327201.db2.gz	ULXZAFFBGYFIKZ-ZCFIWIBFSA-N	-1	0	281.293	0.395	20	30		CCEDRM
CN(C[C@H]1CCCC[C@H]1O)C(=O)N=c1[n-]n(C)cc1C#N	ZINC000611503762	363728339	/nfs/dbraw/zinc/72/83/39/363728339.db2.gz	HYWFXCKQXLMREB-ZYHUDNBSSA-N	-1	0	291.355	0.728	20	30		CCEDRM
CC(C)(CC#N)CNC(=O)C[C@]1(C(=O)[O-])CCOC1	ZINC000594662383	360357135	/nfs/dbraw/zinc/35/71/35/360357135.db2.gz	YCNAZZAZAPRIRM-CYBMUJFWSA-N	-1	0	268.313	0.924	20	30		CCEDRM
N#CCc1cccc(C(=O)N[C@H]2CCO[C@H]2C(=O)[O-])c1	ZINC000595244040	360455508	/nfs/dbraw/zinc/45/55/08/360455508.db2.gz	GAVCSVAKCOHMJB-NWDGAFQWSA-N	-1	0	274.276	0.725	20	30		CCEDRM
Cc1nc(N[C@@H]2C[C@H](C(=O)[O-])C[C@H]2O)ccc1C#N	ZINC000595978146	360753346	/nfs/dbraw/zinc/75/33/46/360753346.db2.gz	KWPVWWYWLPMDQB-HBNTYKKESA-N	-1	0	261.281	0.320	20	30		CCEDRM
COC(=O)c1ccc(N2CC[C@@H](C(=O)[O-])C2)c(C#N)n1	ZINC000595965769	360740799	/nfs/dbraw/zinc/74/07/99/360740799.db2.gz	JYESSZOVAXRLNZ-MRVPVSSYSA-N	-1	0	275.264	0.651	20	30		CCEDRM
CCN(CCC#N)S(=O)(=O)NCC1(C(=O)[O-])CCC1	ZINC000596026225	360778123	/nfs/dbraw/zinc/77/81/23/360778123.db2.gz	FOZITYYMYFPVHX-UHFFFAOYSA-N	-1	0	289.357	0.311	20	30		CCEDRM
C[C@]1(C#N)CCN(C(=O)CSc2n[nH]c(=O)[n-]2)C1	ZINC000598415386	361407702	/nfs/dbraw/zinc/40/77/02/361407702.db2.gz	PNAPFLMHHYWDLL-SNVBAGLBSA-N	-1	0	267.314	0.365	20	30		CCEDRM
Cc1c(C#N)c(=NC(=O)c2nnn(C(C)(C)C)n2)[n-]n1C	ZINC000598841012	361524840	/nfs/dbraw/zinc/52/48/40/361524840.db2.gz	CDGRLODMYVGVLU-UHFFFAOYSA-N	-1	0	288.315	0.016	20	30		CCEDRM
C=CC(C)(C)C[N-]S(=O)(=O)c1nn(C)cc1[N+](=O)[O-]	ZINC000599317358	361649436	/nfs/dbraw/zinc/64/94/36/361649436.db2.gz	VQCZMUGZAWIQRD-UHFFFAOYSA-N	-1	0	288.329	0.819	20	30		CCEDRM
N#Cc1ccc(S(=O)(=O)N2C[C@@H]3C[C@]3(C(=O)[O-])C2)cn1	ZINC000564555212	291284050	/nfs/dbraw/zinc/28/40/50/291284050.db2.gz	URVFQJRUFWPQTP-UFBFGSQYSA-N	-1	0	293.304	0.048	20	30		CCEDRM
C=CCN(C)C(=O)C(=O)N[C@@H](C)[C@@H]1C[C@H](C(=O)[O-])C1(C)C	ZINC000656016172	412733246	/nfs/dbraw/zinc/73/32/46/412733246.db2.gz	UTGWZHGLNJWTET-GARJFASQSA-N	-1	0	296.367	0.882	20	30		CCEDRM
C=C(C)CN(C)C(=O)C(=O)N=c1cc(C)c(C)n[n-]1	ZINC000621703804	366845974	/nfs/dbraw/zinc/84/59/74/366845974.db2.gz	MIGOVMFBMVDBAY-UHFFFAOYSA-N	-1	0	262.313	0.488	20	30		CCEDRM
C=CCCCNC(=O)c1cc(S(N)(=O)=O)ccc1[O-]	ZINC000614208990	364534378	/nfs/dbraw/zinc/53/43/78/364534378.db2.gz	CNMSUNYSZWXVBB-UHFFFAOYSA-N	-1	0	284.337	0.736	20	30		CCEDRM
CC#CC[C@H](CO)NC(=O)c1ccc2oc(=O)nc-2[n-]1	ZINC000616506357	365347789	/nfs/dbraw/zinc/34/77/89/365347789.db2.gz	VLUVDKMTBLBBGO-MRVPVSSYSA-N	-1	0	275.264	0.433	20	30		CCEDRM
O=C([O-])C1CN(C(=O)NCC#Cc2ccccc2)C1	ZINC000621829234	366877100	/nfs/dbraw/zinc/87/71/00/366877100.db2.gz	NFIQKYCSFDGWHU-UHFFFAOYSA-N	-1	0	258.277	0.764	20	30		CCEDRM
C=CCN(C(=O)c1c[n-]n2c1nccc2=O)C1CC1	ZINC000621942395	366938934	/nfs/dbraw/zinc/93/89/34/366938934.db2.gz	USDRMVIZBZSPJG-UHFFFAOYSA-N	-1	0	258.281	0.813	20	30		CCEDRM
Cc1cccc(S(=O)(=O)[N-]N2CCCNC2=O)c1C#N	ZINC000275925141	193164247	/nfs/dbraw/zinc/16/42/47/193164247.db2.gz	UVQBTFLYRKWZRU-UHFFFAOYSA-N	-1	0	294.336	0.475	20	30		CCEDRM
C=CCCS(=O)(=O)N1CC(F)(F)C[C@H]1C(=O)[O-]	ZINC000629309457	369628028	/nfs/dbraw/zinc/62/80/28/369628028.db2.gz	PJIIZCYSHCHZLP-ZETCQYMHSA-N	-1	0	269.269	0.687	20	30		CCEDRM
C=CCCS(=O)(=O)N[C@H](C[C@@H]1CCCOC1)C(=O)[O-]	ZINC000629338712	369635650	/nfs/dbraw/zinc/63/56/50/369635650.db2.gz	PZNRWQOMDSAJJM-WDEREUQCSA-N	-1	0	291.369	0.752	20	30		CCEDRM
C=CCN(CC(=O)[O-])S(=O)(=O)C[C@H](OCC)C1CC1	ZINC000629301007	369625047	/nfs/dbraw/zinc/62/50/47/369625047.db2.gz	LYLXVYLULGAILC-NSHDSACASA-N	-1	0	291.369	0.704	20	30		CCEDRM
C=CC[C@H]1CCN(C(=O)C(=O)N2CC[C@H](C(=O)[O-])C2)C1	ZINC000629778516	369773468	/nfs/dbraw/zinc/77/34/68/369773468.db2.gz	BKCVLYNYXMBFGB-QWRGUYRKSA-N	-1	0	280.324	0.344	20	30		CCEDRM
C=CC[C@H]1CCN(C(=O)C(=O)N2CCC[C@@H](C(=O)[O-])C2)C1	ZINC000629779907	369773868	/nfs/dbraw/zinc/77/38/68/369773868.db2.gz	LDYOJLDUTFWJIN-NWDGAFQWSA-N	-1	0	294.351	0.734	20	30		CCEDRM
C=C(C)C[C@@H](NC(=O)c1cccn(C)c1=O)C(=O)[O-]	ZINC000630320283	370045841	/nfs/dbraw/zinc/04/58/41/370045841.db2.gz	SHLGMZCUXVHJCY-SNVBAGLBSA-N	-1	0	264.281	0.535	20	30		CCEDRM
C=C(C)C[C@@H](NC(=O)CCNC(=O)c1ccco1)C(=O)[O-]	ZINC000630318886	370046019	/nfs/dbraw/zinc/04/60/19/370046019.db2.gz	OEAYHRQCPXSOGF-SNVBAGLBSA-N	-1	0	294.307	0.935	20	30		CCEDRM
C=C(C)C[C@H](NC(=O)c1cnc2n1CCC2)C(=O)[O-]	ZINC000630322016	370046829	/nfs/dbraw/zinc/04/68/29/370046829.db2.gz	OGKUXNSXSJPJMB-VIFPVBQESA-N	-1	0	263.297	0.979	20	30		CCEDRM
C=CCCOCC(=O)N1CC[C@@](OC)(C(=O)[O-])C1	ZINC000630252506	370023225	/nfs/dbraw/zinc/02/32/25/370023225.db2.gz	QLTNULLKAABILO-LBPRGKRZSA-N	-1	0	257.286	0.281	20	30		CCEDRM
C=C(C)C[C@H](NC(=O)[C@@H](C)OCCOCC)C(=O)[O-]	ZINC000630327316	370047719	/nfs/dbraw/zinc/04/77/19/370047719.db2.gz	ZDLFXCYMNKSXGV-MNOVXSKESA-N	-1	0	273.329	0.964	20	30		CCEDRM
C=C(C)C[C@H](NC(=O)CNC(=O)CCC)C(=O)[O-]	ZINC000630325749	370047948	/nfs/dbraw/zinc/04/79/48/370047948.db2.gz	KXZGNDRYEGEVEU-VIFPVBQESA-N	-1	0	256.302	0.438	20	30		CCEDRM
C=C(C)C[C@H](NS(=O)(=O)CC[C@@H]1CCCO1)C(=O)[O-]	ZINC000630438170	370115630	/nfs/dbraw/zinc/11/56/30/370115630.db2.gz	MYDHONBGMXQRKD-QWRGUYRKSA-N	-1	0	291.369	0.894	20	30		CCEDRM
C=CCCCS(=O)(=O)N[C@@H](C(=O)[O-])[C@H]1CCCO1	ZINC000630423881	370109377	/nfs/dbraw/zinc/10/93/77/370109377.db2.gz	SQFBUBUCPYBUTQ-NXEZZACHSA-N	-1	0	277.342	0.504	20	30		CCEDRM
C=C(C)C[C@H](NS(=O)(=O)N(C)C1CC1)C(=O)[O-]	ZINC000630438735	370117527	/nfs/dbraw/zinc/11/75/27/370117527.db2.gz	XUDZJIMZMZDKEO-VIFPVBQESA-N	-1	0	262.331	0.334	20	30		CCEDRM
C=C(C)C[C@H](NC(=O)N[C@@H](C)Cn1cccn1)C(=O)[O-]	ZINC000630471247	370128974	/nfs/dbraw/zinc/12/89/74/370128974.db2.gz	QDFMFOCNGHYBGH-QWRGUYRKSA-N	-1	0	280.328	0.990	20	30		CCEDRM
C=CCN([C@H](C)COC)S(=O)(=O)c1ncc[n-]1	ZINC000632547168	371132133	/nfs/dbraw/zinc/13/21/33/371132133.db2.gz	BIAMDGNAZNLDNZ-SECBINFHSA-N	-1	0	259.331	0.621	20	30		CCEDRM
C=C(C)CN(CC)C(=O)C(=O)N1CC[C@@H](C)[C@H](C(=O)[O-])C1	ZINC000574400801	335016488	/nfs/dbraw/zinc/01/64/88/335016488.db2.gz	YAVXRMLLQVEZQG-VXGBXAGGSA-N	-1	0	296.367	0.980	20	30		CCEDRM
C=CCN(C(=O)NCCOCC(=O)[O-])[C@@H](C)COC	ZINC000635522306	372584377	/nfs/dbraw/zinc/58/43/77/372584377.db2.gz	BAVKRIZYPPBWSN-JTQLQIEISA-N	-1	0	274.317	0.320	20	30		CCEDRM
C=CCOC[C@H](NC(=O)c1cnn2c1CCC2)C(=O)[O-]	ZINC000637794729	374317405	/nfs/dbraw/zinc/31/74/05/374317405.db2.gz	MPVHYRAZODEUOQ-JTQLQIEISA-N	-1	0	279.296	0.215	20	30		CCEDRM
C=CCOCCNC(=O)N[C@@](C)(CCF)C(=O)[O-]	ZINC000656581949	412830236	/nfs/dbraw/zinc/83/02/36/412830236.db2.gz	DQWNNIQWZBDDKW-NSHDSACASA-N	-1	0	262.281	0.691	20	30		CCEDRM
CC(C)n1ccc(Cn2c(=O)[n-]cc(C#N)c2=O)n1	ZINC000574571234	335030635	/nfs/dbraw/zinc/03/06/35/335030635.db2.gz	BGZQFXHCDMKQAR-UHFFFAOYSA-N	-1	0	259.269	0.234	20	30		CCEDRM
C[C@H](NS(=O)(=O)c1cccc(C#N)c1)[C@H](C)C(=O)[O-]	ZINC000133163813	284831309	/nfs/dbraw/zinc/83/13/09/284831309.db2.gz	BDSPWSYENDRZTJ-IUCAKERBSA-N	-1	0	282.321	0.946	20	30		CCEDRM
CO[C@H](CNS(=O)(=O)c1ccc(C#N)cc1)CC(=O)[O-]	ZINC000232107627	284954097	/nfs/dbraw/zinc/95/40/97/284954097.db2.gz	FBHOCDYOWJPRTJ-JTQLQIEISA-N	-1	0	298.320	0.326	20	30		CCEDRM
N#Cc1ccc(S(=O)(=O)N[C@H]2C[C@H](C(=O)[O-])C2)cc1F	ZINC000574804279	335048454	/nfs/dbraw/zinc/04/84/54/335048454.db2.gz	WLKMCXBCCYCPHV-KYZUINATSA-N	-1	0	298.295	0.839	20	30		CCEDRM
N#Cc1nc(NCCc2n[n-]c(=N)o2)ccc1C(F)(F)F	ZINC000572343808	291872857	/nfs/dbraw/zinc/87/28/57/291872857.db2.gz	AVSAIUBITGVASE-UHFFFAOYSA-N	-1	0	298.228	0.844	20	30		CCEDRM
CC(C)N(C(=O)Cn1c(=O)[n-]cc(C#N)c1=O)C(C)C	ZINC000574876933	335054335	/nfs/dbraw/zinc/05/43/35/335054335.db2.gz	MCOLPDCBYSJDNC-UHFFFAOYSA-N	-1	0	278.312	0.054	20	30		CCEDRM
C#CCN(CC#C)S(=O)(=O)c1c(C)oc(C)c1C(=O)[O-]	ZINC000185039664	388783160	/nfs/dbraw/zinc/78/31/60/388783160.db2.gz	OCRICAYOVYLCDB-UHFFFAOYSA-N	-1	0	295.316	0.852	20	30		CCEDRM
CC(=O)c1c[nH]c(C(=O)Nc2nc(C#N)c(C#N)[n-]2)c1	ZINC000026270191	388821703	/nfs/dbraw/zinc/82/17/03/388821703.db2.gz	OSEBTQHOJGGZRO-UHFFFAOYSA-N	-1	0	268.236	0.936	20	30		CCEDRM
C=C[C@H](CO)NC(=O)C(C)(C)[N-]C(=O)C(F)(F)F	ZINC000290624808	388908810	/nfs/dbraw/zinc/90/88/10/388908810.db2.gz	OWXGBNIUCUQMAE-ZCFIWIBFSA-N	-1	0	268.235	0.107	20	30		CCEDRM
C#CCN(C)C(=O)CNS(=O)(=O)c1ccccc1F	ZINC000290838085	388912810	/nfs/dbraw/zinc/91/28/10/388912810.db2.gz	XLIGTQDBGYJSNV-UHFFFAOYSA-N	-1	0	284.312	0.196	20	30		CCEDRM
C#CCO[N-]C(=O)[C@@H]1C[C@H](c2ccccc2)OC1=O	ZINC000291334917	388921190	/nfs/dbraw/zinc/92/11/90/388921190.db2.gz	VCTSNNCQUPHOKX-NWDGAFQWSA-N	-1	0	259.261	0.972	20	30		CCEDRM
C=C[C@@H](CO)NC(=O)CSc1n[n-]c(=S)s1	ZINC000292820752	388960849	/nfs/dbraw/zinc/96/08/49/388960849.db2.gz	VXSSOSJKSCBMDV-YFKPBYRVSA-N	-1	0	277.396	0.582	20	30		CCEDRM
CC(C)(C#N)C(=O)N1CCC[C@H](c2n[nH]c(=O)[n-]2)C1	ZINC000339289703	389129749	/nfs/dbraw/zinc/12/97/49/389129749.db2.gz	GWARGVULSLQBCY-QMMMGPOBSA-N	-1	0	263.301	0.766	20	30		CCEDRM
C=C(C)[C@@H](CC(=O)NC1(c2nnn[n-]2)CC1)OCC	ZINC000357044811	389130067	/nfs/dbraw/zinc/13/00/67/389130067.db2.gz	IUUDDNILYHTVSA-SECBINFHSA-N	-1	0	265.317	0.676	20	30		CCEDRM
Cn1cc(C#N)c([N-]S(=O)(=O)c2ccc(C#N)o2)n1	ZINC000340948447	389168519	/nfs/dbraw/zinc/16/85/19/389168519.db2.gz	HYHDNBQVNAJCFP-UHFFFAOYSA-N	-1	0	277.265	0.557	20	30		CCEDRM
CCN(C[C@H](C)C#N)S(=O)(=O)NCc1ncc(C)o1	ZINC000330387935	389223909	/nfs/dbraw/zinc/22/39/09/389223909.db2.gz	MZHYITJPCMARNM-SECBINFHSA-N	-1	0	286.357	0.799	20	30		CCEDRM
C=C[C@H](C)NC(=O)N=c1[n-]n(C)cc1C(=O)OCC	ZINC000345128935	389291287	/nfs/dbraw/zinc/29/12/87/389291287.db2.gz	HSKHGWNXNKDKGX-QMMMGPOBSA-N	-1	0	266.301	0.715	20	30		CCEDRM
Cc1oc(C#N)cc1C(=O)[N-]S(=O)(=O)C(C)C	ZINC000408487425	389366999	/nfs/dbraw/zinc/36/69/99/389366999.db2.gz	LXKGMAKRJNMNEC-UHFFFAOYSA-N	-1	0	256.283	0.928	20	30		CCEDRM
C[C@@]1(C(=O)[N-]S(=O)(=O)c2cncc(C#N)c2)CCOC1	ZINC000408487997	389367080	/nfs/dbraw/zinc/36/70/80/389367080.db2.gz	MXTOVWHHEUYYBC-GFCCVEGCSA-N	-1	0	295.320	0.185	20	30		CCEDRM
CN(CC#N)C(=O)CSc1n[n-]c(=S)s1	ZINC000266981514	389368119	/nfs/dbraw/zinc/36/81/19/389368119.db2.gz	QJCZQKPPDKFCPF-UHFFFAOYSA-N	-1	0	260.369	0.901	20	30		CCEDRM
COc1cccc(S([O-])=CC(=O)N(CC#N)CC#N)c1	ZINC000424633211	389626934	/nfs/dbraw/zinc/62/69/34/389626934.db2.gz	VZFXDVNMWHXHOG-HXUWFJFHSA-N	-1	0	291.332	0.679	20	30		CCEDRM
C=C[C@@](C)(CC)C(=O)N1CCN2C(=O)NC(=O)[C@H]2C1	ZINC000336171285	389627325	/nfs/dbraw/zinc/62/73/25/389627325.db2.gz	ZNSJXVGFSVMFCO-RNCFNFMXSA-N	-1	0	265.313	0.351	20	30		CCEDRM
C=CCOCC(=O)Nc1ncc(C(=O)OCC)[n-]1	ZINC000415634680	389695869	/nfs/dbraw/zinc/69/58/69/389695869.db2.gz	IWVDDSNMUIJGEZ-UHFFFAOYSA-N	-1	0	253.258	0.728	20	30		CCEDRM
CC#CCNC(=O)N=c1ccc(-c2cnn(C)c2)n[n-]1	ZINC000433676717	389917288	/nfs/dbraw/zinc/91/72/88/389917288.db2.gz	ZAIMUKFKECKLDM-UHFFFAOYSA-N	-1	0	270.296	0.444	20	30		CCEDRM
CCOC(=O)c1ccc(C#N)c(SCc2nnn[n-]2)n1	ZINC000435237708	389954162	/nfs/dbraw/zinc/95/41/62/389954162.db2.gz	YPQIMIFGZSVPJI-UHFFFAOYSA-N	-1	0	290.308	0.935	20	30		CCEDRM
N#CCCS(=O)(=O)[N-]C(=O)/C=C\c1cccc(C#N)c1	ZINC000493150288	390119597	/nfs/dbraw/zinc/11/95/97/390119597.db2.gz	HTGCFNLCDKXZHJ-WAYWQWQTSA-N	-1	0	289.316	0.931	20	30		CCEDRM
C=CCn1cc(C(=O)NCCC(C)(C)C(=O)[O-])nn1	ZINC000647743390	390156313	/nfs/dbraw/zinc/15/63/13/390156313.db2.gz	INKMTTWHYVAHEA-UHFFFAOYSA-N	-1	0	266.301	0.695	20	30		CCEDRM
CC#CC[C@H](NS(=O)(=O)[C@H](C)CCOC)C(=O)[O-]	ZINC000541001065	390233408	/nfs/dbraw/zinc/23/34/08/390233408.db2.gz	UPOQIEJERSJRSM-ZJUUUORDSA-N	-1	0	277.342	0.197	20	30		CCEDRM
C=CC[C@@H](NS(=O)(=O)CCOCC1CC1)C(=O)[O-]	ZINC000644571105	390254890	/nfs/dbraw/zinc/25/48/90/390254890.db2.gz	LIQSQWKLQRTFED-SNVBAGLBSA-N	-1	0	277.342	0.362	20	30		CCEDRM
N#CC1(CS(=O)(=O)N2C[C@@H]3C[C@]3(C(=O)[O-])C2)CC1	ZINC000555129978	390448277	/nfs/dbraw/zinc/44/82/77/390448277.db2.gz	TXCFDNUKMNHEFN-KWQFWETISA-N	-1	0	270.310	0.026	20	30		CCEDRM
CO[C@H](CS(=O)(=O)[N-]c1n[nH]cc1C#N)C1CC1	ZINC000519600904	390516004	/nfs/dbraw/zinc/51/60/04/390516004.db2.gz	AGWAYKWEOPPXCK-SECBINFHSA-N	-1	0	270.314	0.448	20	30		CCEDRM
C=CCCCS(=O)(=O)N1C[C@H](OC)C[C@@H]1CC(=O)[O-]	ZINC000646049173	390585408	/nfs/dbraw/zinc/58/54/08/390585408.db2.gz	ZACDPTCVKCLPKF-GHMZBOCLSA-N	-1	0	291.369	0.846	20	30		CCEDRM
C=CCn1cc(C(=O)N[C@@H](C)[C@H](C)C(=O)[O-])nn1	ZINC000649249927	390537486	/nfs/dbraw/zinc/53/74/86/390537486.db2.gz	UXLYEDVTTBJTHQ-YUMQZZPRSA-N	-1	0	252.274	0.303	20	30		CCEDRM
C/C=C\C[C@@H](NC(=O)C1(C#N)CCOCC1)C(=O)[O-]	ZINC000565754311	390541896	/nfs/dbraw/zinc/54/18/96/390541896.db2.gz	PGVJUEMUALVIKK-MXQLGCADSA-N	-1	0	266.297	0.842	20	30		CCEDRM
CC#CC[C@@H](CO)NC(=O)N=c1[n-]nc(CCC)s1	ZINC000646184873	390627675	/nfs/dbraw/zinc/62/76/75/390627675.db2.gz	DCLBPJFIDKJPRS-VIFPVBQESA-N	-1	0	282.369	0.808	20	30		CCEDRM
C=CCCCN(C)S(=O)(=O)N1CCC[C@H]1C(=O)[O-]	ZINC000567799171	390711131	/nfs/dbraw/zinc/71/11/31/390711131.db2.gz	FAGUIMPSAQDQEY-JTQLQIEISA-N	-1	0	276.358	0.678	20	30		CCEDRM
C=C[C@@H](CCC(=O)[O-])NS(=O)(=O)C[C@@H](C)C(=O)OC	ZINC000569076884	390715471	/nfs/dbraw/zinc/71/54/71/390715471.db2.gz	VQPTZZZQFJNHAX-BDAKNGLRSA-N	-1	0	293.341	0.134	20	30		CCEDRM
C=CCOC[C@@H](NS(=O)(=O)c1cccnc1)C(=O)[O-]	ZINC000569689770	390716268	/nfs/dbraw/zinc/71/62/68/390716268.db2.gz	ROHNUWQZHXTQRS-SNVBAGLBSA-N	-1	0	286.309	0.016	20	30		CCEDRM
C=C[C@@H](CCC(=O)[O-])NS(=O)(=O)CCOCC1CC1	ZINC000570676632	390719266	/nfs/dbraw/zinc/71/92/66/390719266.db2.gz	SHCZXYWEAGUYJU-NSHDSACASA-N	-1	0	291.369	0.752	20	30		CCEDRM
C=CC[C@@H](CO)Nc1ccc(C(=O)[O-])c(OC)n1	ZINC000570804914	390719357	/nfs/dbraw/zinc/71/93/57/390719357.db2.gz	GSGMNFBYFSDMCB-QMMMGPOBSA-N	-1	0	252.270	0.559	20	30		CCEDRM
C[C@H](C#N)CN(C)C(=O)C(=O)N1CC[C@H](C)[C@H](C(=O)[O-])C1	ZINC000578131915	390865945	/nfs/dbraw/zinc/86/59/45/390865945.db2.gz	DBNDGSPUJIBVRW-OUAUKWLOSA-N	-1	0	295.339	0.174	20	30		CCEDRM
N#Cc1cc(F)c(C(=O)NC2=NCC(=O)N2)c(F)c1	ZINC000531041235	390877934	/nfs/dbraw/zinc/87/79/34/390877934.db2.gz	WOYNZHLATPEBNY-UHFFFAOYSA-N	-1	0	264.191	0.052	20	30		CCEDRM
Cc1cc(C#N)cnc1C(=O)NC(C)(C)c1nnn[n-]1	ZINC000578851352	390904165	/nfs/dbraw/zinc/90/41/65/390904165.db2.gz	GXGJDWBLBZEAEW-UHFFFAOYSA-N	-1	0	271.284	0.440	20	30		CCEDRM
Cc1cccc(S(=O)(=O)NCCC(=O)[O-])c1C#N	ZINC000261653638	131159809	/nfs/dbraw/zinc/15/98/09/131159809.db2.gz	HZDWLEBPTPKSIX-UHFFFAOYSA-N	-1	0	268.294	0.620	20	30		CCEDRM
N#Cc1cccc(C2(C(=O)NC3(c4nnn[n-]4)CC3)CC2)c1	ZINC000357057551	144055258	/nfs/dbraw/zinc/05/52/58/144055258.db2.gz	YXIGOPLPAQXHGY-UHFFFAOYSA-N	-1	0	294.318	0.908	20	30		CCEDRM
COc1cncc(C(=O)N=c2[nH][n-]c(C)c2C#N)n1	ZINC000357248149	144073635	/nfs/dbraw/zinc/07/36/35/144073635.db2.gz	VCVJEENMVFXYAO-UHFFFAOYSA-N	-1	0	258.241	0.063	20	30		CCEDRM
COc1cc(CN=c2ccc(C(N)=O)n[n-]2)ccc1C#N	ZINC000357619887	144105205	/nfs/dbraw/zinc/10/52/05/144105205.db2.gz	SHVWIAGVRMLDFU-UHFFFAOYSA-N	-1	0	283.291	0.490	20	30		CCEDRM
CC(C)n1cc(C#N)c(=NC(=O)C(=O)NC[C@H]2C[C@@H]2C)[n-]1	ZINC000359064418	144192998	/nfs/dbraw/zinc/19/29/98/144192998.db2.gz	VHJFZKRGGPPVJU-VHSXEESVSA-N	-1	0	289.339	0.468	20	30		CCEDRM
C=CCCOCCNC(=O)N1C[C@@H]2COC[C@]2(C(=O)[O-])C1	ZINC000659399462	413473632	/nfs/dbraw/zinc/47/36/32/413473632.db2.gz	AWFPYJFRDYZJAV-BXUZGUMPSA-N	-1	0	298.339	0.322	20	30		CCEDRM
N#Cc1cccc(C(=O)N2CCO[C@H](C(=O)[O-])C2)c1	ZINC000049864768	411677002	/nfs/dbraw/zinc/67/70/02/411677002.db2.gz	CLKQWKJYRCNXND-NSHDSACASA-N	-1	0	260.249	0.484	20	30		CCEDRM
C=CC[C@@H](C)NC(=O)C(=O)N=c1ncn(C(C)C)[n-]1	ZINC000651573403	411899948	/nfs/dbraw/zinc/89/99/48/411899948.db2.gz	ZIILURDHQNMBND-SECBINFHSA-N	-1	0	265.317	0.300	20	30		CCEDRM
C=CCCCCNC(=O)C(=O)N=c1ncn(C(C)C)[n-]1	ZINC000651677112	411917330	/nfs/dbraw/zinc/91/73/30/411917330.db2.gz	YHQZZEMZLKKORD-UHFFFAOYSA-N	-1	0	279.344	0.692	20	30		CCEDRM
C=CCn1cc(C(=O)N2[C@H](C)CC[C@@H]2C(=O)[O-])nn1	ZINC000653318957	412287630	/nfs/dbraw/zinc/28/76/30/412287630.db2.gz	CKHMCMCVSKFTSC-PSASIEDQSA-N	-1	0	264.285	0.542	20	30		CCEDRM
Cc1nnc([C@@H](C)NS(=O)(=O)c2cccnc2C#N)[nH]1	ZINC000285482510	196299183	/nfs/dbraw/zinc/29/91/83/196299183.db2.gz	VYQMGSGASFJTGR-SSDOTTSWSA-N	-1	0	292.324	0.419	20	30		CCEDRM
C=CCN(C(=O)C(=O)NCC1(C(=O)[O-])CCC1)C1CC1	ZINC000659669550	413764401	/nfs/dbraw/zinc/76/44/01/413764401.db2.gz	TWFIXBGJGUOMOR-UHFFFAOYSA-N	-1	0	280.324	0.535	20	30		CCEDRM
CC[C@@H]1C[C@@H](C(=O)Nc2nc(C#N)c(C#N)[n-]2)CC(=O)N1	ZINC000350009116	287273783	/nfs/dbraw/zinc/27/37/83/287273783.db2.gz	POBYANSEMPGMLY-HTQZYQBOSA-N	-1	0	286.295	0.396	20	30		CCEDRM
C=C[C@@H]1OCC[C@H]1CNC(=O)[C@](C)(OC)C(=O)[O-]	ZINC000663056966	414966796	/nfs/dbraw/zinc/96/67/96/414966796.db2.gz	PKDAEWABGGTVNH-AUTRQRHGSA-N	-1	0	257.286	0.183	20	30		CCEDRM
C=C[C@@H]1OCC[C@H]1CNC(=O)[C@@H](C(=O)[O-])C1CC1	ZINC000663057298	414967991	/nfs/dbraw/zinc/96/79/91/414967991.db2.gz	QWVHQUUFNYOJMX-DCAQKATOSA-N	-1	0	253.298	0.805	20	30		CCEDRM
C=CCOCCNC(=O)C[C@@]1(C(=O)[O-])CCSC1	ZINC000663229427	415021783	/nfs/dbraw/zinc/02/17/83/415021783.db2.gz	NVMPWIPGJYSBLD-LBPRGKRZSA-N	-1	0	273.354	0.903	20	30		CCEDRM
C=CCOCCNC(=O)N[C@@H](C(=O)[O-])[C@@H]1CCCOC1	ZINC000663267039	415030517	/nfs/dbraw/zinc/03/05/17/415030517.db2.gz	WQUZLZDXPUSMIU-GHMZBOCLSA-N	-1	0	286.328	0.368	20	30		CCEDRM
Cn1cnc(S(=O)(=O)[N-]c2ccn(CCC#N)n2)c1	ZINC000344329543	225029152	/nfs/dbraw/zinc/02/91/52/225029152.db2.gz	SSFDLBSAPZTUGG-UHFFFAOYSA-N	-1	0	280.313	0.331	20	30		CCEDRM
O=C(NCc1n[nH]c(=O)[n-]1)[C@@H]1CC(=O)N(C2CCCC2)C1	ZINC000330039506	228024225	/nfs/dbraw/zinc/02/42/25/228024225.db2.gz	BWSLAIOSSOUIGL-MRVPVSSYSA-N	-1	0	293.327	0.758	20	30		CCEDRM
O=C(N=c1cn[n-]s1)N1CC[C@@H](N2CCCC2=O)C1	ZINC000330255226	228082558	/nfs/dbraw/zinc/08/25/58/228082558.db2.gz	JWHKGEKMKBZMFQ-MRVPVSSYSA-N	-1	0	281.341	0.780	20	30		CCEDRM
C=CC[C@H](NS(=O)(=O)N1C[C@@H](C)C[C@H](C)C1)C(=O)[O-]	ZINC000161299295	544705026	/nfs/dbraw/zinc/70/50/26/544705026.db2.gz	URTOEKLAECHBQM-DCAQKATOSA-N	-1	0	290.385	0.828	20	30		CCEDRM
C=CCOCCNC(=O)[C@@H]1CC=CC[C@H]1C(=O)[O-]	ZINC000310745898	545011659	/nfs/dbraw/zinc/01/16/59/545011659.db2.gz	GIHITXAWCWIJLD-GHMZBOCLSA-N	-1	0	253.298	0.972	20	30		CCEDRM
C#CCN(C(=O)c1cnc([O-])n(C)c1=O)C1CCCC1	ZINC000490830351	261218072	/nfs/dbraw/zinc/21/80/72/261218072.db2.gz	JKGFSHAMOFCGFC-UHFFFAOYSA-N	-1	0	275.308	0.504	20	30		CCEDRM
C=CCOCC(=O)N=c1nc([C@@H](C)OC)[n-]s1	ZINC000338030805	262499181	/nfs/dbraw/zinc/49/91/81/262499181.db2.gz	QDEJVRDKQAYKQY-SSDOTTSWSA-N	-1	0	257.315	0.809	20	30		CCEDRM
CCCN(CC#N)C(=O)c1ccc(S(=O)(=O)NC)nc1	ZINC000274577881	263026780	/nfs/dbraw/zinc/02/67/80/263026780.db2.gz	CIYUEAPLWHEWQZ-UHFFFAOYSA-N	-1	0	296.352	0.365	20	30		CCEDRM
N#CC1(CS(=O)(=O)N[C@H]2C=C[C@@H](C(=O)[O-])C2)CC1	ZINC000275054211	263032298	/nfs/dbraw/zinc/03/22/98/263032298.db2.gz	SUOQVAYNDQPRJS-BDAKNGLRSA-N	-1	0	270.310	0.239	20	30		CCEDRM
C=CCN=c1[n-]nc(SCCNS(C)(=O)=O)s1	ZINC000340892065	263312082	/nfs/dbraw/zinc/31/20/82/263312082.db2.gz	CKIIGAGAGYRUCI-UHFFFAOYSA-N	-1	0	294.427	0.199	20	30		CCEDRM
C=CCN=c1[n-]nc(S(=O)(=O)Cc2cnn(C)c2)s1	ZINC000342901522	263546060	/nfs/dbraw/zinc/54/60/60/263546060.db2.gz	LWIWDZIBVIYSAV-UHFFFAOYSA-N	-1	0	299.381	0.265	20	30		CCEDRM
CNS(=O)(=O)c1cc(NC(=O)C(C)(C)C#N)ccc1[O-]	ZINC000330799574	264041608	/nfs/dbraw/zinc/04/16/08/264041608.db2.gz	IOSBHLRGEGHYKK-UHFFFAOYSA-N	-1	0	297.336	0.789	20	30		CCEDRM
COC[C@@H]1CN(C([O-])=Nc2cccn(C)c2=O)CCO1	ZINC000331241597	264177197	/nfs/dbraw/zinc/17/71/97/264177197.db2.gz	KBVVZQNRCKWHEZ-JTQLQIEISA-N	-1	0	281.312	0.278	20	30		CCEDRM
N#CC1(CS(=O)(=O)NCCCCCC(=O)[O-])CC1	ZINC000361995758	266917186	/nfs/dbraw/zinc/91/71/86/266917186.db2.gz	HYPURXRFZUAJCH-UHFFFAOYSA-N	-1	0	274.342	0.855	20	30		CCEDRM
Cn1[n-]nnc1=NCCSCc1ccccc1C#N	ZINC000520757580	268108896	/nfs/dbraw/zinc/10/88/96/268108896.db2.gz	NWMVZJQJRUSPDY-UHFFFAOYSA-N	-1	0	274.353	0.849	20	30		CCEDRM
Cc1ccc(C#N)cc1S(=O)(=O)N[C@H](C)C(=O)[O-]	ZINC000070430293	301490400	/nfs/dbraw/zinc/49/04/00/301490400.db2.gz	DTOVMKAGTNKNGE-MRVPVSSYSA-N	-1	0	268.294	0.618	20	30		CCEDRM
N#Cc1cc(F)ccc1S(=O)(=O)N1CCC[C@H]1C(=O)[O-]	ZINC000261614069	303183629	/nfs/dbraw/zinc/18/36/29/303183629.db2.gz	AQSBWCHHMDAPLR-JTQLQIEISA-N	-1	0	298.295	0.935	20	30		CCEDRM
N#Cc1ccc(N2CCS(=O)(=O)[C@H](C(=O)[O-])C2)cc1	ZINC000424470553	303194444	/nfs/dbraw/zinc/19/44/44/303194444.db2.gz	MFTAXKZMROTGRR-NSHDSACASA-N	-1	0	280.305	0.246	20	30		CCEDRM
C=C[C@@H]1OCCC[C@H]1C(=O)N1C[C@H](OC)C[C@H]1C(=O)[O-]	ZINC000563019672	327766122	/nfs/dbraw/zinc/76/61/22/327766122.db2.gz	KUCLANOCFAHKJC-WYUUTHIRSA-N	-1	0	283.324	0.668	20	30		CCEDRM
N#CCN1CCN(C(=O)c2cccc([O-])c2[N+](=O)[O-])CC1	ZINC000281000797	328237689	/nfs/dbraw/zinc/23/76/89/328237689.db2.gz	RFXXLEAZBDFKBW-UHFFFAOYSA-N	-1	0	290.279	0.582	20	30		CCEDRM
Cc1cc(C)n2[n-]c(=NC(=O)NC[C@H](C)C#N)nc2n1	ZINC000530735177	326889241	/nfs/dbraw/zinc/88/92/41/326889241.db2.gz	RBXHOBCRRSLGST-SSDOTTSWSA-N	-1	0	273.300	0.444	20	30		CCEDRM
C=CCCCS(=O)(=O)N[C@@]1(C(=O)[O-])CCOC1	ZINC000559205115	327146104	/nfs/dbraw/zinc/14/61/04/327146104.db2.gz	PDVHSRZURWPFKH-JTQLQIEISA-N	-1	0	263.315	0.116	20	30		CCEDRM
C=C(C)CS(=O)(=O)NCCc1nc(C(=O)[O-])cs1	ZINC000564926447	327153878	/nfs/dbraw/zinc/15/38/78/327153878.db2.gz	IVPMWJLZYCICHL-UHFFFAOYSA-N	-1	0	290.366	0.879	20	30		CCEDRM
C=CCC[C@H](NC(=O)NCCCn1cccn1)C(=O)[O-]	ZINC000316699852	327194637	/nfs/dbraw/zinc/19/46/37/327194637.db2.gz	VRRWTYPRTIMKPB-NSHDSACASA-N	-1	0	280.328	0.992	20	30		CCEDRM
CC[C@H](CCNS(=O)(=O)N(C)C[C@H](C)C#N)C(=O)[O-]	ZINC000565054588	327426114	/nfs/dbraw/zinc/42/61/14/327426114.db2.gz	AGXSDVYXXURJRZ-NXEZZACHSA-N	-1	0	291.373	0.413	20	30		CCEDRM
CC[C@@H](CNS(=O)(=O)N(C)[C@@H](C)CC#N)CC(=O)[O-]	ZINC000569697411	327536990	/nfs/dbraw/zinc/53/69/90/327536990.db2.gz	AZGMVUJCICOPRB-VHSXEESVSA-N	-1	0	291.373	0.556	20	30		CCEDRM
C[C@@H]1CCN(S(=O)(=O)N(C)CCC#N)C[C@H]1C(=O)[O-]	ZINC000570397639	327588826	/nfs/dbraw/zinc/58/88/26/327588826.db2.gz	PJZPCEDULXTYNM-NXEZZACHSA-N	-1	0	289.357	0.119	20	30		CCEDRM
C=CCCCS(=O)(=O)N(CC(=O)[O-])C1CCOCC1	ZINC000584348930	328652151	/nfs/dbraw/zinc/65/21/51/328652151.db2.gz	SJBBRFWFYWTMDL-UHFFFAOYSA-N	-1	0	291.369	0.848	20	30		CCEDRM
C=CCn1cc(CNC(=O)[C@@H]2CCC[C@H](C(=O)[O-])C2)nn1	ZINC000425253995	329649132	/nfs/dbraw/zinc/64/91/32/329649132.db2.gz	KZCLKWRNNXJKCS-MNOVXSKESA-N	-1	0	292.339	0.971	20	30		CCEDRM
C=CCCn1cc(C(=O)N[C@@H](CC2CC2)C(=O)[O-])nn1	ZINC000425248137	329650380	/nfs/dbraw/zinc/65/03/80/329650380.db2.gz	ZWICLPVGFACVNB-JTQLQIEISA-N	-1	0	278.312	0.837	20	30		CCEDRM
C=CCCCNC(=O)C(=O)N1CC[C@@H](C(=O)[O-])C1	ZINC000420572699	329779507	/nfs/dbraw/zinc/77/95/07/329779507.db2.gz	YVKUMKNRIHBPIA-SECBINFHSA-N	-1	0	254.286	0.002	20	30		CCEDRM
C=CC[C@@H](CC)NC(=O)C(=O)N1CC[C@](C)(C(=O)[O-])C1	ZINC000420568611	329774725	/nfs/dbraw/zinc/77/47/25/329774725.db2.gz	UYRVXFOZRHAKTL-YGRLFVJLSA-N	-1	0	282.340	0.781	20	30		CCEDRM
C=CCSCCNC(=O)C(=O)N(C)C[C@@H](C)C(=O)[O-]	ZINC000420533157	329777231	/nfs/dbraw/zinc/77/72/31/329777231.db2.gz	BNDXVFLPSKZBAP-SECBINFHSA-N	-1	0	288.369	0.201	20	30		CCEDRM
CC1(C)CN(S(=O)(=O)CCCC#N)[C@H](C(=O)[O-])CO1	ZINC000571976263	329934344	/nfs/dbraw/zinc/93/43/44/329934344.db2.gz	XGRALLVTOWVFTN-VIFPVBQESA-N	-1	0	290.341	0.184	20	30		CCEDRM
C=CCCO[C@@H](C)C(=O)N1CC[C@](F)(C(=O)[O-])C1	ZINC000262841393	330035171	/nfs/dbraw/zinc/03/51/71/330035171.db2.gz	UAPZHQQDEURHQK-JOYOIKCWSA-N	-1	0	259.277	0.993	20	30		CCEDRM
C=CCOC[C@H](NC(=O)COC1CCCC1)C(=O)[O-]	ZINC000263064398	330041797	/nfs/dbraw/zinc/04/17/97/330041797.db2.gz	QWBCRAYOTHADHV-NSHDSACASA-N	-1	0	271.313	0.718	20	30		CCEDRM
C=C[C@@H]1OCC[C@H]1NC(=O)N1CCC[C@@H](C(=O)[O-])C1	ZINC000263432161	330055575	/nfs/dbraw/zinc/05/55/75/330055575.db2.gz	ZAVRBRNYARWUHS-MXWKQRLJSA-N	-1	0	268.313	0.836	20	30		CCEDRM
CCCC[C@@H](NS(=O)(=O)N(CC)CCC#N)C(=O)[O-]	ZINC000263547446	330059430	/nfs/dbraw/zinc/05/94/30/330059430.db2.gz	IAGVOMZNGJXAMG-SNVBAGLBSA-N	-1	0	291.373	0.700	20	30		CCEDRM
C=CC[C@@H](C)NS(=O)(=O)c1cnn(CC(=O)[O-])c1	ZINC000162554612	330068109	/nfs/dbraw/zinc/06/81/09/330068109.db2.gz	KUGQWLYBDHJLDJ-MRVPVSSYSA-N	-1	0	273.314	0.211	20	30		CCEDRM
C=CCCOCCNC(=O)[C@H](C)O[C@@H](C)C(=O)[O-]	ZINC000421808603	330084958	/nfs/dbraw/zinc/08/49/58/330084958.db2.gz	SDVRAMWRZKIOHU-UWVGGRQHSA-N	-1	0	259.302	0.574	20	30		CCEDRM
C=CCCCNC(=O)C(=O)N1C[C@H](C)C[C@@H](C(=O)[O-])C1	ZINC000422698888	330150872	/nfs/dbraw/zinc/15/08/72/330150872.db2.gz	BQSUECYPKDUEKS-GHMZBOCLSA-N	-1	0	282.340	0.638	20	30		CCEDRM
C=C(C)CN(CC)C(=O)C(=O)N1CCC[C@@H](C(=O)[O-])C1	ZINC000422708897	330151450	/nfs/dbraw/zinc/15/14/50/330151450.db2.gz	JUFPCUUZILQCIV-LLVKDONJSA-N	-1	0	282.340	0.734	20	30		CCEDRM
C=C(C)CN(C)C(=O)C(=O)N1C[C@H](C)C[C@H](C(=O)[O-])C1	ZINC000422859655	330157882	/nfs/dbraw/zinc/15/78/82/330157882.db2.gz	KPUBPWJMQYNTBM-MNOVXSKESA-N	-1	0	282.340	0.590	20	30		CCEDRM
C=CC[C@@H](CO)NC(=O)NCCC(C)(C)C(=O)[O-]	ZINC000424408535	330350460	/nfs/dbraw/zinc/35/04/60/330350460.db2.gz	VRNJTGWADOVTED-VIFPVBQESA-N	-1	0	258.318	0.724	20	30		CCEDRM
C=CCN(C(=O)C(=O)NCCC(C)(C)C(=O)[O-])C1CC1	ZINC000424474822	330354094	/nfs/dbraw/zinc/35/40/94/330354094.db2.gz	AWDNOIGCTWVDPK-UHFFFAOYSA-N	-1	0	282.340	0.781	20	30		CCEDRM
CC(C)(CCNC(=O)C(=O)NCCCCC#N)C(=O)[O-]	ZINC000424518428	330363446	/nfs/dbraw/zinc/36/34/46/330363446.db2.gz	MSGNTRBKUCMUOY-UHFFFAOYSA-N	-1	0	283.328	0.414	20	30		CCEDRM
N#C[C@]1(NC(=O)c2cccc([N+](=O)[O-])c2[O-])CCOC1	ZINC000436929102	330688821	/nfs/dbraw/zinc/68/88/21/330688821.db2.gz	YAJKDAHULFSIOX-GFCCVEGCSA-N	-1	0	277.236	0.713	20	30		CCEDRM
C=CCOC[C@@H](NC(=O)c1ncccc1OCC)C(=O)[O-]	ZINC000455914805	331180897	/nfs/dbraw/zinc/18/08/97/331180897.db2.gz	SHUAEBBIOPSJGD-SNVBAGLBSA-N	-1	0	294.307	0.866	20	30		CCEDRM
C#C[C@@H]1COCCN1Cc1c([O-])nnn1-c1ccccc1	ZINC000491764807	332333486	/nfs/dbraw/zinc/33/34/86/332333486.db2.gz	DMEYWCHYAKAGQQ-GFCCVEGCSA-N	-1	0	284.319	0.807	20	30		CCEDRM
C#C[C@@H](NC(=O)N=c1ncn(CC(=O)OCC)[n-]1)C(C)C	ZINC000491806115	332359618	/nfs/dbraw/zinc/35/96/18/332359618.db2.gz	QGVRGDWANTWANG-SNVBAGLBSA-N	-1	0	293.327	0.042	20	30		CCEDRM
C#CCO[N-]C(=O)[C@@H](C)NC(=O)/C=C\c1ccccc1	ZINC000493024621	332423299	/nfs/dbraw/zinc/42/32/99/332423299.db2.gz	NLLYFNLURHZUBO-ZWLSGLHFSA-N	-1	0	272.304	0.886	20	30		CCEDRM
Cn1ccc(/C=C\C(=O)[N-]S(=O)(=O)CCCC#N)c1	ZINC000493488446	332442227	/nfs/dbraw/zinc/44/22/27/332442227.db2.gz	OMURXDYCDKKVLU-PLNGDYQASA-N	-1	0	281.337	0.788	20	30		CCEDRM
CC(C)(C)OC(=O)NCCC=Nn1c(=O)[n-][nH]c1=O	ZINC000496453713	332549942	/nfs/dbraw/zinc/54/99/42/332549942.db2.gz	GQDGERBNNLXBMH-UHFFFAOYSA-N	-1	0	271.277	0.438	20	30		CCEDRM
N#CCc1cccc(NC(=O)C(=O)NCCCC(=O)[O-])c1	ZINC000521625422	333180140	/nfs/dbraw/zinc/18/01/40/333180140.db2.gz	KTAJTCMWIRBAFP-UHFFFAOYSA-N	-1	0	289.291	0.672	20	30		CCEDRM
C=CCOCC(=O)N1CCC(c2n[nH]c(=O)[n-]2)CC1	ZINC000576042639	335144835	/nfs/dbraw/zinc/14/48/35/335144835.db2.gz	OKOJMMJEBHRALS-UHFFFAOYSA-N	-1	0	266.301	0.419	20	30		CCEDRM
CC(C)CN(CCC(=O)[O-])S(=O)(=O)N(C)CCC#N	ZINC000548233351	334146955	/nfs/dbraw/zinc/14/69/55/334146955.db2.gz	HMWINSUYYPLGDT-UHFFFAOYSA-N	-1	0	291.373	0.509	20	30		CCEDRM
CC(C)[C@H](CNS(=O)(=O)N(C)CCC#N)C(=O)[O-]	ZINC000548588600	334163067	/nfs/dbraw/zinc/16/30/67/334163067.db2.gz	RZXVZJDKUUBCRE-VIFPVBQESA-N	-1	0	277.346	0.023	20	30		CCEDRM
CC(C)N(CCC(=O)[O-])S(=O)(=O)N(C)[C@@H](C)CC#N	ZINC000565053977	334536713	/nfs/dbraw/zinc/53/67/13/334536713.db2.gz	HXLPOKNRTGCFEI-JTQLQIEISA-N	-1	0	291.373	0.650	20	30		CCEDRM
C=CCC[C@@H](NC(=O)c1cc(C)nn1C)C(=O)[O-]	ZINC000262915098	334578790	/nfs/dbraw/zinc/57/87/90/334578790.db2.gz	NNJWGRWSWCTDLZ-SECBINFHSA-N	-1	0	251.286	0.878	20	30		CCEDRM
CCOC(=O)c1[nH]c(=O)n(-c2cccc(C#N)c2)c1[O-]	ZINC000349280691	335455783	/nfs/dbraw/zinc/45/57/83/335455783.db2.gz	RYCTYCHDPNCYBU-JTQLQIEISA-N	-1	0	273.248	0.546	20	30		CCEDRM
C=C[C@@H](CCC(=O)[O-])NS(=O)(=O)C[C@H]1CCCCO1	ZINC000579081417	335707136	/nfs/dbraw/zinc/70/71/36/335707136.db2.gz	PNTJFIBBAJPDKF-WDEREUQCSA-N	-1	0	291.369	0.894	20	30		CCEDRM
C=CCCCCNC(=O)N[C@@]1(C(=O)[O-])CCOC1	ZINC000381203176	336054882	/nfs/dbraw/zinc/05/48/82/336054882.db2.gz	QEDCQSWTMVDVKV-LBPRGKRZSA-N	-1	0	256.302	0.886	20	30		CCEDRM
C=CCCCCNC(=O)N[C@]1(C(=O)[O-])CCOC1	ZINC000381203174	336054891	/nfs/dbraw/zinc/05/48/91/336054891.db2.gz	QEDCQSWTMVDVKV-GFCCVEGCSA-N	-1	0	256.302	0.886	20	30		CCEDRM
Cc1ncc(S(=O)(=O)N[C@@H](C)[C@@H](C)C(=O)[O-])cc1C#N	ZINC000383816622	336118082	/nfs/dbraw/zinc/11/80/82/336118082.db2.gz	CWFCSHGGKQEMNZ-SFYZADRCSA-N	-1	0	297.336	0.649	20	30		CCEDRM
Cc1ncc(S(=O)(=O)N[C@@H](C)CCC(=O)[O-])cc1C#N	ZINC000383932159	336119424	/nfs/dbraw/zinc/11/94/24/336119424.db2.gz	VONFFIZVMRCWHO-QMMMGPOBSA-N	-1	0	297.336	0.793	20	30		CCEDRM
C#CCN(CC#N)S(=O)(=O)c1csc(C(=O)[O-])c1	ZINC000384448669	336124665	/nfs/dbraw/zinc/12/46/65/336124665.db2.gz	SHGPEZOBLFDCPP-UHFFFAOYSA-N	-1	0	284.318	0.594	20	30		CCEDRM
C[C@@H](C#N)CNS(=O)(=O)c1c[nH]c(C(=O)[O-])c1	ZINC000054156494	526237578	/nfs/dbraw/zinc/23/75/78/526237578.db2.gz	HZYRZELWRHZXQJ-LURJTMIESA-N	-1	0	257.271	0.151	20	30		CCEDRM
C=CCCC[C@@H](C)NC(=O)c1cnc([O-])n(C)c1=O	ZINC000343519692	527271145	/nfs/dbraw/zinc/27/11/45/527271145.db2.gz	IBLQAAGBDMUIBZ-SECBINFHSA-N	-1	0	265.313	0.961	20	30		CCEDRM
C=CCOC[C@H](NC(=O)[C@H]1CC[C@H](CC)O1)C(=O)[O-]	ZINC000668289642	545171478	/nfs/dbraw/zinc/17/14/78/545171478.db2.gz	BZNJIHZTOAPCKO-GARJFASQSA-N	-1	0	271.313	0.716	20	30		CCEDRM
C=CCCO[C@@H](C)C(=O)N[C@@H](C(=O)[O-])C1CCOCC1	ZINC000668308967	545172529	/nfs/dbraw/zinc/17/25/29/545172529.db2.gz	PSAVTGWFSRUJAN-CMPLNLGQSA-N	-1	0	285.340	0.964	20	30		CCEDRM
CC#CC[C@@H](NS(=O)(=O)CC[C@H]1CCCO1)C(=O)[O-]	ZINC000681579713	545456695	/nfs/dbraw/zinc/45/66/95/545456695.db2.gz	RHDUUQHTFVRSOK-GHMZBOCLSA-N	-1	0	289.353	0.342	20	30		CCEDRM
C=C[C@@H]1CCCCN1C(=O)c1n[nH]c(=O)[n-]c1=O	ZINC000683884003	545576603	/nfs/dbraw/zinc/57/66/03/545576603.db2.gz	UEUGSVFWIAIKLD-SSDOTTSWSA-N	-1	0	250.258	0.464	20	30		CCEDRM
Cc1sc(=O)n(CCC(=O)N(CC#N)CC(=O)[O-])c1C	ZINC000738989862	581111519	/nfs/dbraw/zinc/11/15/19/581111519.db2.gz	JJKVLBCHLVHEKC-UHFFFAOYSA-N	-1	0	297.336	0.354	20	30		CCEDRM
O=C([O-])c1ccc2c(C=NN[C@H]3CCOC3)[nH]nc2c1	ZINC000788452736	581111863	/nfs/dbraw/zinc/11/18/63/581111863.db2.gz	SQECIQFUJDHTRX-VIFPVBQESA-N	-1	0	274.280	0.974	20	30		CCEDRM
CN(C)C(=S)NN=Cc1ccc(O)c(C(=O)[O-])c1	ZINC000777436106	581115226	/nfs/dbraw/zinc/11/52/26/581115226.db2.gz	AUYSGYJVLSRHOW-UHFFFAOYSA-N	-1	0	267.310	0.860	20	30		CCEDRM
CNC(=O)C(C#N)=C([O-])c1ccc(O[C@@H]2CCOC2)cc1	ZINC000789406829	581147634	/nfs/dbraw/zinc/14/76/34/581147634.db2.gz	ZREMQEJUVDCUSV-CHWSQXEVSA-N	-1	0	288.303	0.923	20	30		CCEDRM
C[C@@H]1CN(c2nccnc2C#N)CC[C@H]1NC(=O)[O-]	ZINC000739195290	581200982	/nfs/dbraw/zinc/20/09/82/581200982.db2.gz	BZYXPFCLQQXYPU-RKDXNWHRSA-N	-1	0	261.285	0.831	20	30		CCEDRM
C#CCCS(=O)(=O)[N-]C(=O)[C@@H](C)OC[C@@H]1CCCO1	ZINC000791110429	581207674	/nfs/dbraw/zinc/20/76/74/581207674.db2.gz	DIMOQCGHGHLLPR-MNOVXSKESA-N	-1	0	289.353	0.040	20	30		CCEDRM
C[C@@H](NC(=O)Cc1ccc(OCC#N)cc1)C(=O)[O-]	ZINC000737683569	581223362	/nfs/dbraw/zinc/22/33/62/581223362.db2.gz	HIMNNZFUPZHPAT-SECBINFHSA-N	-1	0	262.265	0.721	20	30		CCEDRM
COCCN(CC(=O)[O-])C(=O)NCC#Cc1ccccc1	ZINC000780366449	581225969	/nfs/dbraw/zinc/22/59/69/581225969.db2.gz	SKMJSFZYIDWMGJ-UHFFFAOYSA-N	-1	0	290.319	0.781	20	30		CCEDRM
C#CCOc1ccccc1CNC(=O)NCC(=O)[O-]	ZINC000780576442	581235041	/nfs/dbraw/zinc/23/50/41/581235041.db2.gz	WTADXBZAHCAQAS-UHFFFAOYSA-N	-1	0	262.265	0.582	20	30		CCEDRM
C=CCS(=O)(=O)[N-]C(=O)c1cnn(C)c1SC	ZINC000791853968	581237189	/nfs/dbraw/zinc/23/71/89/581237189.db2.gz	XWVOKYRVRYZOGH-UHFFFAOYSA-N	-1	0	275.355	0.388	20	30		CCEDRM
COC1(CC(=O)[N-]S(=O)(=O)CC(C)(C)C#N)CCC1	ZINC000791865147	581237567	/nfs/dbraw/zinc/23/75/67/581237567.db2.gz	CRTSISRJDKGHBR-UHFFFAOYSA-N	-1	0	288.369	0.941	20	30		CCEDRM
CC[C@@H](NN=Cc1cc2c(cc1O)OCO2)C(=O)[O-]	ZINC000793057897	581282582	/nfs/dbraw/zinc/28/25/82/581282582.db2.gz	RFCCBTPJUPHHMC-MRVPVSSYSA-N	-1	0	266.253	0.908	20	30		CCEDRM
CC[C@@H](NN=Cc1ccc2c(c1)oc(=O)n2C)C(=O)[O-]	ZINC000793057855	581282592	/nfs/dbraw/zinc/28/25/92/581282592.db2.gz	QCHLTFYWERHJAW-SECBINFHSA-N	-1	0	277.280	0.918	20	30		CCEDRM
CC[C@@H](NN=Cc1c(O)cc(O)c(C)c1O)C(=O)[O-]	ZINC000793077148	581283508	/nfs/dbraw/zinc/28/35/08/581283508.db2.gz	ANNZJARANPXQIL-MRVPVSSYSA-N	-1	0	268.269	0.899	20	30		CCEDRM
CC[C@H](NN=Cc1cc2c(cc1O)OCO2)C(=O)[O-]	ZINC000793057898	581283715	/nfs/dbraw/zinc/28/37/15/581283715.db2.gz	RFCCBTPJUPHHMC-QMMMGPOBSA-N	-1	0	266.253	0.908	20	30		CCEDRM
CNC(=O)C(C#N)=C([O-])c1cnc(OC)c(Cl)c1	ZINC000793124126	581284835	/nfs/dbraw/zinc/28/48/35/581284835.db2.gz	JEKUMBWSMFNVIQ-SSDOTTSWSA-N	-1	0	267.672	0.812	20	30		CCEDRM
N#CC1(CS(=O)(=O)[N-]C(=O)[C@H]2CC23CCC3)CC1	ZINC000793195822	581287850	/nfs/dbraw/zinc/28/78/50/581287850.db2.gz	BVYBHOCWDDNTRZ-SECBINFHSA-N	-1	0	268.338	0.926	20	30		CCEDRM
N#Cc1ccc(NCC(=O)N2CCO[C@H](C(=O)[O-])C2)cc1	ZINC000738430960	581319087	/nfs/dbraw/zinc/31/90/87/581319087.db2.gz	NBKSFZABGUXDEF-LBPRGKRZSA-N	-1	0	289.291	0.282	20	30		CCEDRM
C#CCN1CCN(C(=O)[C@@H]2CCCCN2C(=O)[O-])CC1	ZINC000738462070	581333775	/nfs/dbraw/zinc/33/37/75/581333775.db2.gz	WEUPFDBRAVKWJM-LBPRGKRZSA-N	-1	0	279.340	0.296	20	30		CCEDRM
C#CCNC(=O)c1ccc(N[C@H]2CCN(C(=O)[O-])C2)nc1	ZINC000738463248	581335376	/nfs/dbraw/zinc/33/53/76/581335376.db2.gz	PBZPZBUXSDZJPR-NSHDSACASA-N	-1	0	288.307	0.609	20	30		CCEDRM
C#Cc1ccc(C(=O)NCC[C@H](C)NC(=O)[O-])nc1	ZINC000738468397	581342465	/nfs/dbraw/zinc/34/24/65/581342465.db2.gz	VDFJJJZXINVBSG-VIFPVBQESA-N	-1	0	261.281	0.839	20	30		CCEDRM
C=CCNC(=O)C(C#N)=C([O-])c1cnn2ccc(C)nc12	ZINC000727953662	581342560	/nfs/dbraw/zinc/34/25/60/581342560.db2.gz	MGRNOXMKYJIASM-JTQLQIEISA-N	-1	0	283.291	0.662	20	30		CCEDRM
C#CCOc1ccc(NC(=O)COCCNC(=O)[O-])cc1	ZINC000738468265	581342601	/nfs/dbraw/zinc/34/26/01/581342601.db2.gz	YRDAGVBCZVNSJB-UHFFFAOYSA-N	-1	0	292.291	0.921	20	30		CCEDRM
C[C@@H]1C[C@H](C(=O)[N-]S(=O)(=O)CC2(C#N)CCC2)CO1	ZINC000784551880	581388564	/nfs/dbraw/zinc/38/85/64/581388564.db2.gz	YMZZLAPOHMOQMZ-ZJUUUORDSA-N	-1	0	286.353	0.551	20	30		CCEDRM
CC(C)OCCO[N-]C(=O)CNc1ccc(C#N)cn1	ZINC000795070280	581397162	/nfs/dbraw/zinc/39/71/62/581397162.db2.gz	XEWOLTJVEJLDGH-UHFFFAOYSA-N	-1	0	278.312	0.838	20	30		CCEDRM
N#Cc1cc(C(=O)[N-]S(=O)(=O)CC2CC2)ccn1	ZINC000796709369	581448829	/nfs/dbraw/zinc/44/88/29/581448829.db2.gz	NBTOPQBVCRXBOW-UHFFFAOYSA-N	-1	0	265.294	0.423	20	30		CCEDRM
N#Cc1cc(C(=O)[N-]S(=O)(=O)CC(F)(F)F)ccn1	ZINC000796731781	581449052	/nfs/dbraw/zinc/44/90/52/581449052.db2.gz	IPLDPVYFIOFAEI-UHFFFAOYSA-N	-1	0	293.226	0.575	20	30		CCEDRM
C=CCNC(=O)C(C#N)=C([O-])c1cnn2c1OCCC2	ZINC000796745060	581449876	/nfs/dbraw/zinc/44/98/76/581449876.db2.gz	KHMYRGGVFFMJNG-SECBINFHSA-N	-1	0	274.280	0.290	20	30		CCEDRM
CO[C@@H](C(=O)[N-]S(=O)(=O)CCCC#N)C1CC1	ZINC000796813056	581451250	/nfs/dbraw/zinc/45/12/50/581451250.db2.gz	TUDQFRQQJVJSEV-SECBINFHSA-N	-1	0	260.315	0.161	20	30		CCEDRM
C=CCS(=O)(=O)[N-]C(=O)c1ccc(C(=O)OC)[nH]1	ZINC000796995055	581457146	/nfs/dbraw/zinc/45/71/46/581457146.db2.gz	BNZZSVLUQFOZEW-UHFFFAOYSA-N	-1	0	272.282	0.047	20	30		CCEDRM
CC(C)(C#N)CS(=O)(=O)[N-]C(=O)CCc1cncnc1	ZINC000797032318	581458281	/nfs/dbraw/zinc/45/82/81/581458281.db2.gz	RKVITDVKLDLYLA-UHFFFAOYSA-N	-1	0	296.352	0.405	20	30		CCEDRM
C=CCC1(S(=O)(=O)[N-]C(=O)Cc2cnn(C)c2C)CC1	ZINC000797272330	581463339	/nfs/dbraw/zinc/46/33/39/581463339.db2.gz	JAQWZTBEKUEGRM-UHFFFAOYSA-N	-1	0	297.380	0.826	20	30		CCEDRM
N#Cc1ccc(CCC(=O)Nc2n[nH]c(CC(=O)[O-])n2)cc1	ZINC000739118846	581507838	/nfs/dbraw/zinc/50/78/38/581507838.db2.gz	VSCCYANWIBMJJQ-UHFFFAOYSA-N	-1	0	299.290	0.875	20	30		CCEDRM
N#Cc1ccc(NC(=O)Cn2nc(C(=O)[O-])ccc2=O)cc1	ZINC000739121686	581507924	/nfs/dbraw/zinc/50/79/24/581507924.db2.gz	ULROUDRHNHDAAR-UHFFFAOYSA-N	-1	0	298.258	0.452	20	30		CCEDRM
N#Cc1cccc(NC(=O)COC(=O)[C@@H]2C[C@H]2C(=O)[O-])c1	ZINC000739133598	581509785	/nfs/dbraw/zinc/50/97/85/581509785.db2.gz	KOKOJGANVAZQAM-GHMZBOCLSA-N	-1	0	288.259	0.761	20	30		CCEDRM
CC(C)[C@@](C)(C#N)NC(=O)CN1CCN(C(=O)[O-])C[C@@H]1C	ZINC000739161610	581514311	/nfs/dbraw/zinc/51/43/11/581514311.db2.gz	QQWYMYCBTZWKIH-SMDDNHRTSA-N	-1	0	296.371	0.725	20	30		CCEDRM
C#CCOc1cccc(NC(=O)c2n[nH]c(=O)[n-]c2=O)c1	ZINC000765484463	581518789	/nfs/dbraw/zinc/51/87/89/581518789.db2.gz	FQGWVYSDNDZITK-UHFFFAOYSA-N	-1	0	286.247	0.547	20	30		CCEDRM
C[C@H]1CN(S(=O)(=O)CCCC#N)CC[C@@H]1NC(=O)[O-]	ZINC000739188547	581520204	/nfs/dbraw/zinc/52/02/04/581520204.db2.gz	GBGFAYFLUIEKBS-UWVGGRQHSA-N	-1	0	289.357	0.598	20	30		CCEDRM
CC[C@@H](C#N)Oc1cccc(CN=c2nn[n-]n2C)c1	ZINC000733792360	581523911	/nfs/dbraw/zinc/52/39/11/581523911.db2.gz	HCZFQMFUKSLWAD-NSHDSACASA-N	-1	0	272.312	0.925	20	30		CCEDRM
C=CCOCC(=O)[N-]S(=O)(=O)c1cc(C)ccn1	ZINC000733864331	581527042	/nfs/dbraw/zinc/52/70/42/581527042.db2.gz	FFCYZZMSAVULOP-UHFFFAOYSA-N	-1	0	270.310	0.398	20	30		CCEDRM
COC1(C(=O)[N-]S(=O)(=O)CCCC#N)CCCC1	ZINC000754002202	581570171	/nfs/dbraw/zinc/57/01/71/581570171.db2.gz	SRHFMEHBXFLKPM-UHFFFAOYSA-N	-1	0	274.342	0.695	20	30		CCEDRM
CN(C(=O)[O-])[C@H]1CCCN(c2nccnc2C#N)C1	ZINC000739588784	581576401	/nfs/dbraw/zinc/57/64/01/581576401.db2.gz	QYDPKVPAZNDYQY-VIFPVBQESA-N	-1	0	261.285	0.927	20	30		CCEDRM
C[C@H](C#N)CN(C)C(=O)NC[C@H]1CCCN1C(=O)[O-]	ZINC000738597299	581577514	/nfs/dbraw/zinc/57/75/14/581577514.db2.gz	QTOFGFUMGFAMMP-NXEZZACHSA-N	-1	0	268.317	0.930	20	30		CCEDRM
CN(CC(=O)[C@H](C#N)C(=O)NCc1ccccc1)C(=O)[O-]	ZINC000739616456	581581536	/nfs/dbraw/zinc/58/15/36/581581536.db2.gz	GGZVPYDIUWCGJO-NSHDSACASA-N	-1	0	289.291	0.621	20	30		CCEDRM
CN(C[C@@H]1CCN(C(=O)C2(C#N)CCOCC2)C1)C(=O)[O-]	ZINC000739640476	581585676	/nfs/dbraw/zinc/58/56/76/581585676.db2.gz	GUVRUVHGEADVGZ-NSHDSACASA-N	-1	0	295.339	0.765	20	30		CCEDRM
N#Cc1ccccc1C=CC(=O)NCc1n[nH]c(=O)[n-]1	ZINC000754353380	581587769	/nfs/dbraw/zinc/58/77/69/581587769.db2.gz	CUEFSQZJHLOBDV-WAYWQWQTSA-N	-1	0	269.264	0.712	20	30		CCEDRM
CN(CCNC(=O)c1sccc1C#N)C(=O)[O-]	ZINC000739700093	581596408	/nfs/dbraw/zinc/59/64/08/581596408.db2.gz	ZYYDRCNAHCQHIM-UHFFFAOYSA-N	-1	0	253.283	0.959	20	30		CCEDRM
Cc1ncc(S(=O)(=O)[N-]c2cnn(CC#N)c2)s1	ZINC000754750017	581607495	/nfs/dbraw/zinc/60/74/95/581607495.db2.gz	ZTEIBCSPVIWYGO-UHFFFAOYSA-N	-1	0	283.338	0.972	20	30		CCEDRM
Cn1nnc2ccc(C([O-])=C(C#N)C(=O)N3CCCC3)cc21	ZINC000755600784	581648122	/nfs/dbraw/zinc/64/81/22/581648122.db2.gz	UEMRHIPPZQSASN-LLVKDONJSA-N	-1	0	297.318	0.913	20	30		CCEDRM
CC(=O)N[C@H](C)C(=O)Nc1ccc(-c2nn[nH]n2)c(C#N)c1	ZINC000735473451	581649009	/nfs/dbraw/zinc/64/90/09/581649009.db2.gz	CMBQNRRPMRGHBM-SSDOTTSWSA-N	-1	0	299.294	0.201	20	30		CCEDRM
C#CCCS(=O)(=O)[N-]C(=O)C1(CCOC)CCC1	ZINC000788072328	581653658	/nfs/dbraw/zinc/65/36/58/581653658.db2.gz	UXTBFFCTDAGBBX-UHFFFAOYSA-N	-1	0	273.354	0.663	20	30		CCEDRM
CC#CCS(=O)(=O)[N-]C(=O)c1ccc2nsnc2c1	ZINC000788072498	581657803	/nfs/dbraw/zinc/65/78/03/581657803.db2.gz	VVQVFPMLBLXMSD-UHFFFAOYSA-N	-1	0	295.345	0.774	20	30		CCEDRM
N#C[C@H]1CN(C(=O)NCCCN(C(=O)[O-])C2CC2)CCO1	ZINC000740306671	581662886	/nfs/dbraw/zinc/66/28/86/581662886.db2.gz	IJACCGSILAZUGK-NSHDSACASA-N	-1	0	296.327	0.453	20	30		CCEDRM
N#CC1(C(=O)N[C@H]2CCC[C@@H]2CNC(=O)[O-])CCOCC1	ZINC000740308789	581663407	/nfs/dbraw/zinc/66/34/07/581663407.db2.gz	CBFWLWAOXFCTDX-MNOVXSKESA-N	-1	0	295.339	0.859	20	30		CCEDRM
N#C[C@@H]1CN(C(=O)[C@H]2CCC[C@H](NC(=O)[O-])C2)CCO1	ZINC000740309667	581663873	/nfs/dbraw/zinc/66/38/73/581663873.db2.gz	LHLXVALHKAYLKC-GARJFASQSA-N	-1	0	281.312	0.564	20	30		CCEDRM
N#CC1(NC(=O)[C@H]2CCC[C@@H](NC(=O)[O-])C2)CC1	ZINC000740310697	581663876	/nfs/dbraw/zinc/66/38/76/581663876.db2.gz	VRKIGZMUTRYYNI-DTWKUNHWSA-N	-1	0	251.286	0.985	20	30		CCEDRM
N#CC1(C(=O)N[C@@H]2CCN(C(=O)[O-])C2)CCCC1	ZINC000740309694	581663906	/nfs/dbraw/zinc/66/39/06/581663906.db2.gz	MBEWULPKIFAVAK-SECBINFHSA-N	-1	0	251.286	0.939	20	30		CCEDRM
N#CC1(C(=O)NCC2CCN(C(=O)[O-])CC2)CCOCC1	ZINC000740309490	581663937	/nfs/dbraw/zinc/66/39/37/581663937.db2.gz	JNUOKDUMBIGPPK-UHFFFAOYSA-N	-1	0	295.339	0.813	20	30		CCEDRM
N#CCSCC(=O)OC[C@H]1CCN(C(=O)[O-])C1	ZINC000740310884	581664072	/nfs/dbraw/zinc/66/40/72/581664072.db2.gz	PDUHSRCJXOSRNE-QMMMGPOBSA-N	-1	0	258.299	0.786	20	30		CCEDRM
N#Cc1ccc(COC(=O)[C@@H]2C[C@@H](O)CN2C(=O)[O-])cc1	ZINC000740315336	581664443	/nfs/dbraw/zinc/66/44/43/581664443.db2.gz	MDMBDAHUUYLOLW-NEPJUHHUSA-N	-1	0	290.275	0.715	20	30		CCEDRM
N#Cc1ccc(CC(=O)N2CC[C@H](NC(=O)[O-])C2)cc1	ZINC000740312082	581664734	/nfs/dbraw/zinc/66/47/34/581664734.db2.gz	AXJWJPUDTXEKPB-LBPRGKRZSA-N	-1	0	273.292	0.969	20	30		CCEDRM
N#Cc1ccc(OCC(=O)N[C@H]2CCN(C(=O)[O-])C2)cc1	ZINC000740319561	581665211	/nfs/dbraw/zinc/66/52/11/581665211.db2.gz	VHQVCOVODXPVPA-NSHDSACASA-N	-1	0	289.291	0.806	20	30		CCEDRM
N#CC1(CS(=O)(=O)[N-]C(=O)C2=CCCC2)CC1	ZINC000753945030	581713336	/nfs/dbraw/zinc/71/33/36/581713336.db2.gz	IYHBWKSMXITUDX-UHFFFAOYSA-N	-1	0	254.311	0.846	20	30		CCEDRM
C[C@H](C#N)CN(C)C(=O)N[C@@H]1CCCN(C(=O)[O-])C1	ZINC000736200335	581714226	/nfs/dbraw/zinc/71/42/26/581714226.db2.gz	BSCDPOYWTFCTBJ-NXEZZACHSA-N	-1	0	268.317	0.930	20	30		CCEDRM
CC(=NNCCCO)c1cc([N+](=O)[O-])ccc1[O-]	ZINC000758120841	581722353	/nfs/dbraw/zinc/72/23/53/581722353.db2.gz	RNWYLMVWXMKODG-UHFFFAOYSA-N	-1	0	253.258	0.996	20	30		CCEDRM
CC(C)[C@](C)(C#N)NC(=O)COC(=O)[C@@H]1C[C@@H]1C(=O)[O-]	ZINC000736348969	581748740	/nfs/dbraw/zinc/74/87/40/581748740.db2.gz	FBOPTYBGWPTGBB-RWEMILLDSA-N	-1	0	282.296	0.305	20	30		CCEDRM
O=C([O-])c1ccc(C=NNc2nc3[nH][nH]cc-3c(=O)n2)cc1	ZINC000731154820	581755399	/nfs/dbraw/zinc/75/53/99/581755399.db2.gz	FSQMWCHXRXTUKW-UHFFFAOYSA-N	-1	0	298.262	0.576	20	30		CCEDRM
O=C1CNC(=O)N1N=Cc1cc([O-])ccc1[N+](=O)[O-]	ZINC000770614592	581755581	/nfs/dbraw/zinc/75/55/81/581755581.db2.gz	IEVFWIKXARDIKS-UHFFFAOYSA-N	-1	0	264.197	0.186	20	30		CCEDRM
CCc1nn(C)cc1C([O-])=C(C#N)C(=O)NCCOC	ZINC000771259117	581759229	/nfs/dbraw/zinc/75/92/29/581759229.db2.gz	RDCJRTIEQHRBAI-SECBINFHSA-N	-1	0	278.312	0.068	20	30		CCEDRM
O=C([O-])Cn1cc(/C=C/C(=O)c2cccc(O)c2)nn1	ZINC000759075353	581782058	/nfs/dbraw/zinc/78/20/58/581782058.db2.gz	LFJUSYCVMGAPHI-SNAWJCMRSA-N	-1	0	273.248	0.964	20	30		CCEDRM
N#CC1(CS(=O)(=O)[N-]C(=O)c2cccnc2)CCC1	ZINC000771080165	581790422	/nfs/dbraw/zinc/79/04/22/581790422.db2.gz	WKQDBKPTOKQQJL-UHFFFAOYSA-N	-1	0	279.321	0.835	20	30		CCEDRM
C[C@H](CN(C1CC1)S(=O)(=O)CCCC#N)C(=O)[O-]	ZINC000736576601	581796823	/nfs/dbraw/zinc/79/68/23/581796823.db2.gz	FMIHCYCLLPMDJZ-SECBINFHSA-N	-1	0	274.342	0.805	20	30		CCEDRM
N#CCc1cccc(C(=O)N2CCO[C@@H](c3nnn[n-]3)C2)c1	ZINC000732090712	581802345	/nfs/dbraw/zinc/80/23/45/581802345.db2.gz	MJKZKXLBKULUGM-GFCCVEGCSA-N	-1	0	298.306	0.479	20	30		CCEDRM
N#CCCNC(=O)COC(=O)c1cc(F)c([O-])c(F)c1	ZINC000759544737	581805673	/nfs/dbraw/zinc/80/56/73/581805673.db2.gz	QHEBYLNOSGMPHE-UHFFFAOYSA-N	-1	0	284.218	0.857	20	30		CCEDRM
C=CCCC(=O)[N-]S(=O)(=O)[C@H](C)[C@@H](C)C(=O)OC	ZINC000771516796	581806355	/nfs/dbraw/zinc/80/63/55/581806355.db2.gz	FRMRRRMOMOKDPF-RKDXNWHRSA-N	-1	0	277.342	0.596	20	30		CCEDRM
C[C@@H](C#N)C(=O)N[C@H](c1nnn[n-]1)c1ccccc1	ZINC000736673563	581815809	/nfs/dbraw/zinc/81/58/09/581815809.db2.gz	QTONJNJZAHLPLS-WPRPVWTQSA-N	-1	0	256.269	0.565	20	30		CCEDRM
CNC(=O)c1cccc(C([O-])=C(C#N)C(=O)NC2CC2)c1	ZINC000744030562	581830399	/nfs/dbraw/zinc/83/03/99/581830399.db2.gz	HTOHRDCVSIXLJR-LBPRGKRZSA-N	-1	0	285.303	0.647	20	30		CCEDRM
COC(=O)c1cncc(C([O-])=C(C#N)C(=O)NC(C)C)c1	ZINC000760181947	581847895	/nfs/dbraw/zinc/84/78/95/581847895.db2.gz	DLBKBRCGKBZJQF-LLVKDONJSA-N	-1	0	289.291	0.715	20	30		CCEDRM
CCC(=O)N1CCC[C@@H](C(=O)N(CC#N)CC(=O)[O-])C1	ZINC000736836827	581850685	/nfs/dbraw/zinc/85/06/85/581850685.db2.gz	TUPIBVRDESNPKN-SNVBAGLBSA-N	-1	0	281.312	0.072	20	30		CCEDRM
O=C1CN(N=Cc2cc(Cl)cc([N+](=O)[O-])c2[O-])C(=O)N1	ZINC000744807146	581852568	/nfs/dbraw/zinc/85/25/68/581852568.db2.gz	MRUBFLRFPOXEOV-UHFFFAOYSA-N	-1	0	298.642	0.840	20	30		CCEDRM
C=CCS(=O)(=O)[N-]C(=O)COc1ccc(C#N)cc1	ZINC000772721203	581886561	/nfs/dbraw/zinc/88/65/61/581886561.db2.gz	HAEGBQBUFWNGHX-UHFFFAOYSA-N	-1	0	280.305	0.569	20	30		CCEDRM
C=CCS(=O)(=O)[N-]C(=O)COCCOc1ccccc1	ZINC000772720825	581886805	/nfs/dbraw/zinc/88/68/05/581886805.db2.gz	WMCDGQJSRQKHGD-UHFFFAOYSA-N	-1	0	299.348	0.714	20	30		CCEDRM
C#CCCNC(=O)c1ccc2c(c1)[n-]c(=S)n(C)c2=O	ZINC000733287731	581897511	/nfs/dbraw/zinc/89/75/11/581897511.db2.gz	OMQGSNGNAKDKBY-UHFFFAOYSA-N	-1	0	287.344	0.975	20	30		CCEDRM
CCN(C[C@H](C)C#N)C(=O)COC(=O)[C@@H]1C[C@H]1C(=O)[O-]	ZINC000737078394	581897781	/nfs/dbraw/zinc/89/77/81/581897781.db2.gz	LCAREDAQZKSTLL-OPRDCNLKSA-N	-1	0	282.296	0.258	20	30		CCEDRM
CCc1c(C(=O)N(CC#N)CC(=O)[O-])cnn1C	ZINC000737247636	581926547	/nfs/dbraw/zinc/92/65/47/581926547.db2.gz	MEWHLIGGRWERRK-UHFFFAOYSA-N	-1	0	250.258	0.033	20	30		CCEDRM
N#CCSCC(=O)[N-]S(=O)(=O)CCCF	ZINC000747130443	581933001	/nfs/dbraw/zinc/93/30/01/581933001.db2.gz	JBVAUZGEORKNOT-UHFFFAOYSA-N	-1	0	254.308	0.049	20	30		CCEDRM
CNC(=O)C(C#N)=C([O-])c1cccc(-n2cccn2)n1	ZINC000737323687	581945108	/nfs/dbraw/zinc/94/51/08/581945108.db2.gz	WWXBZINRNBMTFH-VIFPVBQESA-N	-1	0	269.264	0.336	20	30		CCEDRM
COCCNC(=O)C(C#N)=C([O-])c1ccnc(N(C)C)c1	ZINC000773977886	581950427	/nfs/dbraw/zinc/95/04/27/581950427.db2.gz	ZUYBKHUTHYDDEK-NSHDSACASA-N	-1	0	290.323	0.233	20	30		CCEDRM
Cn1ccnc(N=NCc2ccc([N+](=O)[O-])c([O-])c2)c1=O	ZINC000748080694	581961331	/nfs/dbraw/zinc/96/13/31/581961331.db2.gz	PNFBFBBDHZLHNQ-UHFFFAOYSA-N	-1	0	289.251	0.840	20	30		CCEDRM
C=CCN(CC(=O)[O-])C(=O)c1ccc(S(C)(=O)=O)o1	ZINC000737527529	581973311	/nfs/dbraw/zinc/97/33/11/581973311.db2.gz	XCXMJVXXXNKLHQ-UHFFFAOYSA-N	-1	0	287.293	0.396	20	30		CCEDRM
N#CCOc1ccccc1C(=O)NCc1n[nH]c(=O)[n-]1	ZINC000748418764	581974713	/nfs/dbraw/zinc/97/47/13/581974713.db2.gz	MNXZSMOYUYTWLR-UHFFFAOYSA-N	-1	0	273.252	0.343	20	30		CCEDRM
COC(=O)[C@H](CC(=O)[O-])NC(=O)c1sccc1C#N	ZINC000737578337	581982544	/nfs/dbraw/zinc/98/25/44/581982544.db2.gz	YOZDLQADJCYEFN-ZETCQYMHSA-N	-1	0	282.277	0.366	20	30		CCEDRM
COc1ccc(F)cc1C(=O)N(CC#N)CC(=O)[O-]	ZINC000738017399	582015825	/nfs/dbraw/zinc/01/58/25/582015825.db2.gz	JMVMJCZVOKYNFE-UHFFFAOYSA-N	-1	0	266.228	0.885	20	30		CCEDRM
COc1ccccc1NCC(=O)N(CC#N)CC(=O)[O-]	ZINC000738136727	582023701	/nfs/dbraw/zinc/02/37/01/582023701.db2.gz	NSPBFTKNRJBCDD-UHFFFAOYSA-N	-1	0	277.280	0.544	20	30		CCEDRM
C#CCN(CC)C(=O)N[C@H](CNC(=O)[O-])C1CC1	ZINC000738462291	582053193	/nfs/dbraw/zinc/05/31/93/582053193.db2.gz	YIWCRDILUTWTJQ-SNVBAGLBSA-N	-1	0	253.302	0.697	20	30		CCEDRM
C#CCN1CCC[C@H]1C(=O)N1C[C@@H](C)N(C(=O)[O-])[C@@H](C)C1	ZINC000738461258	582053230	/nfs/dbraw/zinc/05/32/30/582053230.db2.gz	QDXGLBWCUBRTMV-XQQFMLRXSA-N	-1	0	293.367	0.683	20	30		CCEDRM
Cc1c(C(=O)[N-]S(=O)(=O)CC(C)(C)C#N)cnn1C	ZINC000776142930	582054022	/nfs/dbraw/zinc/05/40/22/582054022.db2.gz	RONFTOFDDLELMP-UHFFFAOYSA-N	-1	0	284.341	0.338	20	30		CCEDRM
CC(C)(C#N)CS(=O)(=O)[N-]C(=O)c1cccnc1	ZINC000776147110	582055009	/nfs/dbraw/zinc/05/50/09/582055009.db2.gz	WTVIDIAELCCFHK-UHFFFAOYSA-N	-1	0	267.310	0.691	20	30		CCEDRM
Cc1nnc(NN=Cc2cnccc2N(C)C)[n-]c1=O	ZINC000776179109	582056168	/nfs/dbraw/zinc/05/61/68/582056168.db2.gz	LJUSAPXHMIYCIE-UHFFFAOYSA-N	-1	0	273.300	0.793	20	30		CCEDRM
C=CCNC(=O)NC(=O)[C@@H](C)N1CCCN(C(=O)[O-])CC1	ZINC000738496325	582056563	/nfs/dbraw/zinc/05/65/63/582056563.db2.gz	WFJFMPBHHXLAQB-SNVBAGLBSA-N	-1	0	298.343	0.072	20	30		CCEDRM
Cc1ccc(F)c(S(=O)(=O)N(CC#N)CC(=O)[O-])c1	ZINC000738602715	582064840	/nfs/dbraw/zinc/06/48/40/582064840.db2.gz	CKMLLWSELAEENN-UHFFFAOYSA-N	-1	0	286.284	0.733	20	30		CCEDRM
N#Cc1cc(O)cc(C(=O)NC[C@H](O)C(F)(F)F)c1	ZINC000776349206	582070301	/nfs/dbraw/zinc/07/03/01/582070301.db2.gz	WCHXGLGJHSVJMC-VIFPVBQESA-N	-1	0	274.198	0.917	20	30		CCEDRM
CS(=O)(=O)CCNN=Cc1cc([O-])ccc1[N+](=O)[O-]	ZINC000751134092	582071296	/nfs/dbraw/zinc/07/12/96/582071296.db2.gz	VQEBOFDDYLGTPL-UHFFFAOYSA-N	-1	0	287.297	0.269	20	30		CCEDRM
CC(C)[C@@H](CNC(=O)CSCC#N)NC(=O)[O-]	ZINC000738775665	582075369	/nfs/dbraw/zinc/07/53/69/582075369.db2.gz	CGJBJERHHGMQFK-MRVPVSSYSA-N	-1	0	259.331	0.652	20	30		CCEDRM
CC(C)[C@H](CNS(=O)(=O)CCCC#N)NC(=O)[O-]	ZINC000738793875	582077249	/nfs/dbraw/zinc/07/72/49/582077249.db2.gz	NCOVRAROQKHWOX-VIFPVBQESA-N	-1	0	277.346	0.502	20	30		CCEDRM
N#CCN(C(=O)Cn1cnc(C(=O)[O-])n1)c1ccccc1	ZINC000739075828	582101283	/nfs/dbraw/zinc/10/12/83/582101283.db2.gz	OAHBKVZSTNGQLK-UHFFFAOYSA-N	-1	0	285.263	0.533	20	30		CCEDRM
N#CCN(CC(=O)[O-])C(=O)c1ccc(N2CCCC2)nc1	ZINC000739086086	582101781	/nfs/dbraw/zinc/10/17/81/582101781.db2.gz	FVZVMSHZMYQDMI-UHFFFAOYSA-N	-1	0	288.307	0.732	20	30		CCEDRM
N#CCN(CC(=O)[O-])C(=O)c1ccc(-n2cncn2)cc1	ZINC000739086989	582102086	/nfs/dbraw/zinc/10/20/86/582102086.db2.gz	JQEBLTYYTKZPLG-UHFFFAOYSA-N	-1	0	285.263	0.318	20	30		CCEDRM
N#CCN(CC(=O)[O-])C(=O)c1ccc(-n2cnnc2)cc1	ZINC000739088750	582102184	/nfs/dbraw/zinc/10/21/84/582102184.db2.gz	ZSIKNIYOXYITME-UHFFFAOYSA-N	-1	0	285.263	0.318	20	30		CCEDRM
N#Cc1ccc([C@@H](OC(=O)[C@H]2COCCO2)C(=O)[O-])cc1	ZINC000739109511	582103083	/nfs/dbraw/zinc/10/30/83/582103083.db2.gz	LPJRYEQXMSSAAN-VXGBXAGGSA-N	-1	0	291.259	0.643	20	30		CCEDRM
CCN([C@H](C)C(=O)[O-])S(=O)(=O)CC1(CC#N)CC1	ZINC000899564929	615077629	/nfs/dbraw/zinc/07/76/29/615077629.db2.gz	TXBXMGPQAOUGPW-SECBINFHSA-N	-1	0	274.342	0.805	20	30		CCEDRM
N#Cc1csc(C(=O)N2CCO[C@@H](C(=O)[O-])C2)c1	ZINC000819111004	596932466	/nfs/dbraw/zinc/93/24/66/596932466.db2.gz	IPCGMWLOMPYZGF-MRVPVSSYSA-N	-1	0	266.278	0.545	20	30		CCEDRM
CO[C@@H](C(=O)[N-]S(=O)(=O)CCC#N)C1CCC1	ZINC000851016606	617126707	/nfs/dbraw/zinc/12/67/07/617126707.db2.gz	YUIQHKAJIMKDJN-SECBINFHSA-N	-1	0	260.315	0.161	20	30		CCEDRM
N#CCOc1ccc(CNC(=O)NCCC(=O)[O-])cc1	ZINC000819090867	597219201	/nfs/dbraw/zinc/21/92/01/597219201.db2.gz	IXNKIDVOYQMIGI-UHFFFAOYSA-N	-1	0	277.280	0.863	20	30		CCEDRM
N#Cc1ccc(NC(=O)C(=O)NCC(=O)[O-])c(Cl)c1	ZINC000819100636	597260811	/nfs/dbraw/zinc/26/08/11/597260811.db2.gz	UVPIYQCNYMIWOY-UHFFFAOYSA-N	-1	0	281.655	0.351	20	30		CCEDRM
COc1ccc(C#N)cc1CN1CCO[C@H](C(=O)[O-])C1	ZINC000131407336	597350330	/nfs/dbraw/zinc/35/03/30/597350330.db2.gz	BRHGQAMSMKOIQW-ZDUSSCGKSA-N	-1	0	276.292	0.852	20	30		CCEDRM
C#CCOCCNC(=O)N1CCC[C@@H]1CC(=O)[O-]	ZINC000833366123	612986061	/nfs/dbraw/zinc/98/60/61/612986061.db2.gz	HCKLQAVLJGEAMJ-SNVBAGLBSA-N	-1	0	254.286	0.285	20	30		CCEDRM
C[C@@H](C(=O)[O-])N(C)C(=O)CNC(=O)c1ccc(C#N)cc1	ZINC000817753322	597469427	/nfs/dbraw/zinc/46/94/27/597469427.db2.gz	NKPRDUQAWIRGAR-VIFPVBQESA-N	-1	0	289.291	0.220	20	30		CCEDRM
Cn1cc(C#N)c(=O)n(Cc2ccc(C(=O)[O-])cc2)c1=O	ZINC000821277268	597492622	/nfs/dbraw/zinc/49/26/22/597492622.db2.gz	AHULFSLRVUZOFE-UHFFFAOYSA-N	-1	0	285.259	0.165	20	30		CCEDRM
Cn1ccnc1[C@@H]1CCN(C(=O)[C@@](C)(C#N)CC(=O)[O-])C1	ZINC000821305012	597605077	/nfs/dbraw/zinc/60/50/77/597605077.db2.gz	NTWJGVNFNUHQCL-QMTHXVAHSA-N	-1	0	290.323	0.741	20	30		CCEDRM
C[C@](C#N)(CC(=O)[O-])C(=O)N[C@H]1CCO[C@@]2(CCOC2)C1	ZINC000819833497	597607119	/nfs/dbraw/zinc/60/71/19/597607119.db2.gz	HKTQUAKMCBANHX-GDLCADMTSA-N	-1	0	296.323	0.445	20	30		CCEDRM
C[C@@H]1C[C@@H](CNC(=O)[C@@](C)(C#N)CC(=O)[O-])CCO1	ZINC000820228547	597607856	/nfs/dbraw/zinc/60/78/56/597607856.db2.gz	PFEWRGMLTGRLRY-GBIKHYSHSA-N	-1	0	268.313	0.922	20	30		CCEDRM
C[C@@](C#N)(CC(=O)[O-])C(=O)N[C@@H]1CCCOCC1	ZINC000819821210	597608209	/nfs/dbraw/zinc/60/82/09/597608209.db2.gz	DIVWTIPHPNPNQP-SKDRFNHKSA-N	-1	0	254.286	0.676	20	30		CCEDRM
Cn1cc(CCCOC(=O)[C@](C)(C#N)CC(=O)[O-])cn1	ZINC000821287822	597616613	/nfs/dbraw/zinc/61/66/13/597616613.db2.gz	UVOWPHLCGUMRGS-ZDUSSCGKSA-N	-1	0	279.296	0.900	20	30		CCEDRM
Cc1noc(CCCNC(=O)[C@@](C)(C#N)CC(=O)[O-])n1	ZINC000821235659	597643978	/nfs/dbraw/zinc/64/39/78/597643978.db2.gz	KDLLIXZOKULIIU-GFCCVEGCSA-N	-1	0	280.284	0.431	20	30		CCEDRM
C[C@@H](CNC(=O)[C@@](C)(C#N)CC(=O)[O-])CN1CCOCC1	ZINC000820095967	597648744	/nfs/dbraw/zinc/64/87/44/597648744.db2.gz	XRVFQYGFTMRSHY-SMDDNHRTSA-N	-1	0	297.355	0.075	20	30		CCEDRM
C[C@](C#N)(CC(=O)[O-])C(=O)NC[C@H](CO)c1ccccc1	ZINC000819835498	597653857	/nfs/dbraw/zinc/65/38/57/597653857.db2.gz	VTYWYSSIITWERT-IUODEOHRSA-N	-1	0	290.319	0.883	20	30		CCEDRM
C[C@](C#N)(CC(=O)[O-])C(=O)N[C@@H]1CCc2[nH]cnc2C1	ZINC000819832890	597657902	/nfs/dbraw/zinc/65/79/02/597657902.db2.gz	DKOKUXINVAPEAX-AMIZOPFISA-N	-1	0	276.296	0.388	20	30		CCEDRM
C[C@@](C#N)(CC(=O)[O-])C(=O)Nc1ccncc1F	ZINC000819857566	597658695	/nfs/dbraw/zinc/65/86/95/597658695.db2.gz	YFYICTNYLSPOHH-NSHDSACASA-N	-1	0	251.217	0.586	20	30		CCEDRM
C[C@@](C#N)(CC(=O)[O-])C(=O)N[C@H]1CCCC2(C1)OCCO2	ZINC000819823440	597726092	/nfs/dbraw/zinc/72/60/92/597726092.db2.gz	UYOHCZRBIBFUAP-GWCFXTLKSA-N	-1	0	296.323	0.793	20	30		CCEDRM
Cn1cc(C=NNCCC(=O)[O-])c(-c2cccnc2)n1	ZINC000821287677	597741308	/nfs/dbraw/zinc/74/13/08/597741308.db2.gz	ROMVUOHBALXLKO-UHFFFAOYSA-N	-1	0	273.296	0.880	20	30		CCEDRM
N#Cc1cccc(OCCSCC(=O)NCC(=O)[O-])c1	ZINC000821340425	597754862	/nfs/dbraw/zinc/75/48/62/597754862.db2.gz	HYWONFYVJVJIFJ-UHFFFAOYSA-N	-1	0	294.332	0.871	20	30		CCEDRM
Fc1ccc(C#CCn2cnc(-c3nnn[n-]3)n2)cc1	ZINC000822766625	607326909	/nfs/dbraw/zinc/32/69/09/607326909.db2.gz	LLYFAYIRWBKLRX-UHFFFAOYSA-N	-1	0	269.243	0.649	20	30		CCEDRM
C[C@](C#N)(CC(=O)[O-])C(=O)NCC1CCOCC1	ZINC000819835012	598225733	/nfs/dbraw/zinc/22/57/33/598225733.db2.gz	RMOUIWHEGYFNBG-GFCCVEGCSA-N	-1	0	254.286	0.534	20	30		CCEDRM
C[C@@H](NC(=O)[C@@](C)(C#N)CC(=O)[O-])c1cnn(C)c1	ZINC000820114561	598228426	/nfs/dbraw/zinc/22/84/26/598228426.db2.gz	PKQLGHFEZQIPAF-PRHODGIISA-N	-1	0	264.285	0.602	20	30		CCEDRM
C[C@@H](NC(=O)[C@](C)(C#N)CC(=O)[O-])C1CCOCC1	ZINC000820113737	598230453	/nfs/dbraw/zinc/23/04/53/598230453.db2.gz	FURHYHRRZHUSBR-RNCFNFMXSA-N	-1	0	268.313	0.922	20	30		CCEDRM
C#CCO[C@H](C)C(=O)N1CCC[C@@]1(COC)C(=O)[O-]	ZINC000909942302	612999438	/nfs/dbraw/zinc/99/94/38/612999438.db2.gz	FWKMQWAOAZQQPM-ZWNOBZJWSA-N	-1	0	269.297	0.117	20	30		CCEDRM
C#CCO[C@H](C)C(=O)[N-]S(=O)(=O)c1ncccc1F	ZINC000835347356	613002369	/nfs/dbraw/zinc/00/23/69/613002369.db2.gz	WRYTTXCGBSZBBR-MRVPVSSYSA-N	-1	0	286.284	0.064	20	30		CCEDRM
C#CCO[C@H](C)C(=O)N[C@@H]1C[C@H](C(=O)[O-])[C@H]2C[C@H]21	ZINC000923195322	613002832	/nfs/dbraw/zinc/00/28/32/613002832.db2.gz	MFSCDVUMCLEZNA-NZHYYXIDSA-N	-1	0	251.282	0.250	20	30		CCEDRM
N#CCCNC(=O)CN[C@@H](C(=O)[O-])c1ccccc1	ZINC000050510825	599759097	/nfs/dbraw/zinc/75/90/97/599759097.db2.gz	ZEDNAUNBYDDCQY-GFCCVEGCSA-N	-1	0	261.281	0.432	20	30		CCEDRM
N#CCNC(=O)CSc1ncccc1C(=O)[O-]	ZINC000019272140	599886976	/nfs/dbraw/zinc/88/69/76/599886976.db2.gz	RWXYLWCCQODBLU-UHFFFAOYSA-N	-1	0	251.267	0.512	20	30		CCEDRM
N#CCN(CC(=O)[O-])C(=O)COc1ccccc1[N+](=O)[O-]	ZINC000739079408	600403813	/nfs/dbraw/zinc/40/38/13/600403813.db2.gz	WWZZSBVMAUAGOL-UHFFFAOYSA-N	-1	0	293.235	0.410	20	30		CCEDRM
C#CCSCCNC(=O)c1cccc(C(=O)[O-])n1	ZINC000231965184	600551513	/nfs/dbraw/zinc/55/15/13/600551513.db2.gz	XEDHFTAJJNYTHT-UHFFFAOYSA-N	-1	0	264.306	0.876	20	30		CCEDRM
C#CCNC(=O)N[C@H](C)c1cccc(-c2nn[nH]n2)c1	ZINC000819701555	612947310	/nfs/dbraw/zinc/94/73/10/612947310.db2.gz	JKGFWCDYGQLWRO-SECBINFHSA-N	-1	0	270.296	0.860	20	30		CCEDRM
C#CCSCCNC(=O)N1CCC(C(=O)[O-])CC1	ZINC000231960608	600654007	/nfs/dbraw/zinc/65/40/07/600654007.db2.gz	SPKTUYFQEDHMMC-UHFFFAOYSA-N	-1	0	270.354	0.859	20	30		CCEDRM
N#Cc1ccc(C(=O)N2CCSC[C@H]2CC(=O)[O-])nc1	ZINC000091128143	600670514	/nfs/dbraw/zinc/67/05/14/600670514.db2.gz	ZKSUTLPXFZTHHY-SNVBAGLBSA-N	-1	0	291.332	0.986	20	30		CCEDRM
C#CCNC(=O)Nc1cc(C(=O)[O-])cc(S(C)(=O)=O)c1	ZINC000825620275	612947390	/nfs/dbraw/zinc/94/73/90/612947390.db2.gz	ZEQRPHOPTMGHEF-UHFFFAOYSA-N	-1	0	296.304	0.543	20	30		CCEDRM
N#CCOc1ccc(CN(CC#N)CC(=O)[O-])cc1	ZINC000833068161	601002761	/nfs/dbraw/zinc/00/27/61/601002761.db2.gz	RAKBHMJDLUGEHW-UHFFFAOYSA-N	-1	0	259.265	0.999	20	30		CCEDRM
N#CCN(CC(=O)[O-])C[C@H](O)c1c(F)cccc1F	ZINC000833067098	601003495	/nfs/dbraw/zinc/00/34/95/601003495.db2.gz	PFJYQOGVKUFXOM-JTQLQIEISA-N	-1	0	270.235	0.908	20	30		CCEDRM
N#CCN(CC(=O)[O-])C[C@@H](O)COc1ccc(C#N)cc1	ZINC000833066498	601004367	/nfs/dbraw/zinc/00/43/67/601004367.db2.gz	BDIOGIIPJDKRJN-GFCCVEGCSA-N	-1	0	289.291	0.208	20	30		CCEDRM
N#C[C@@H]1COCCN1CC(=O)Nc1ccsc1C(=O)[O-]	ZINC000833061811	601041787	/nfs/dbraw/zinc/04/17/87/601041787.db2.gz	HXLFBICYEOFULY-MRVPVSSYSA-N	-1	0	295.320	0.609	20	30		CCEDRM
Cc1ccccc1OC[C@H](O)CN(CC#N)CC(=O)[O-]	ZINC000832978766	601226017	/nfs/dbraw/zinc/22/60/17/601226017.db2.gz	BFEUGILQQWHPFK-GFCCVEGCSA-N	-1	0	278.308	0.645	20	30		CCEDRM
N#CCN(CC(=O)[O-])C[C@@H](O)COc1ccccc1F	ZINC000833067076	601242380	/nfs/dbraw/zinc/24/23/80/601242380.db2.gz	OKIVHHFPYNIRAM-SNVBAGLBSA-N	-1	0	282.271	0.476	20	30		CCEDRM
N#Cc1cc([N+](=O)[O-])cnc1N1CCO[C@H](CC(=O)[O-])C1	ZINC000091294828	601381305	/nfs/dbraw/zinc/38/13/05/601381305.db2.gz	SRPLGOKQKCRLFT-SNVBAGLBSA-N	-1	0	292.251	0.541	20	30		CCEDRM
N#Cc1c[nH]c(C(=O)N2CCO[C@H](CC(=O)[O-])C2)c1	ZINC000833068119	601526778	/nfs/dbraw/zinc/52/67/78/601526778.db2.gz	ODPORTLJLKSXAJ-SECBINFHSA-N	-1	0	263.253	0.202	20	30		CCEDRM
COc1ccc(Cn2cc(C(=O)[O-])cc(C#N)c2=O)cn1	ZINC000832373889	601577086	/nfs/dbraw/zinc/57/70/86/601577086.db2.gz	NJKZNKYTWJVDJZ-UHFFFAOYSA-N	-1	0	285.259	0.870	20	30		CCEDRM
C[C@H](CNC(=O)Nc1nn(C)cc1C#N)C(=O)[O-]	ZINC000827496867	601628300	/nfs/dbraw/zinc/62/83/00/601628300.db2.gz	JCJVFNMSMZFLHK-ZCFIWIBFSA-N	-1	0	251.246	0.134	20	30		CCEDRM
O=C([O-])[C@@H]1COCCN1C(=O)C#Cc1ccccc1	ZINC000088376100	601721410	/nfs/dbraw/zinc/72/14/10/601721410.db2.gz	ZSYVKVKDDHJMSG-LBPRGKRZSA-N	-1	0	259.261	0.350	20	30		CCEDRM
Cn1cc(C#N)c(NC(=O)N2CC[C@](F)(C(=O)[O-])C2)n1	ZINC000833040372	601732558	/nfs/dbraw/zinc/73/25/58/601732558.db2.gz	CVPHEUUQBYOAOU-LLVKDONJSA-N	-1	0	281.247	0.322	20	30		CCEDRM
C#CCSCCNC(=O)N1CC[C@H](N(C)C(=O)[O-])C1	ZINC000823466735	613016382	/nfs/dbraw/zinc/01/63/82/613016382.db2.gz	HNGLGWKNIBGAHJ-JTQLQIEISA-N	-1	0	285.369	0.747	20	30		CCEDRM
COc1cc(C)nc(N=NCCCNC(=O)[O-])n1	ZINC000829102261	617178764	/nfs/dbraw/zinc/17/87/64/617178764.db2.gz	VXLCWNLBMMSULQ-UHFFFAOYSA-N	-1	0	253.262	0.849	20	30		CCEDRM
C#CCNC(=O)[C@H](C)[N@H+](C)CC(C)(C)CNC(=O)[O-]	ZINC000823456944	612949674	/nfs/dbraw/zinc/94/96/74/612949674.db2.gz	SLYPTLXKNRPUBV-JTQLQIEISA-N	-1	0	269.345	0.350	20	30		CCEDRM
COc1cc(C=NNCC(=O)[O-])cc(OC)c1OC	ZINC000814959281	617179380	/nfs/dbraw/zinc/17/93/80/617179380.db2.gz	YFIRGLVSFAWFCA-UHFFFAOYSA-N	-1	0	268.269	0.721	20	30		CCEDRM
COc1cc(C=NN(C)C[C@H](C)O)c([N+](=O)[O-])cc1O	ZINC000841654513	617179223	/nfs/dbraw/zinc/17/92/23/617179223.db2.gz	LWNPVAZJBCQKPA-QMMMGPOBSA-N	-1	0	283.284	0.956	20	30		CCEDRM
CCN(C[C@@H](C)C#N)CN1CC2(CN(C(=O)[O-])C2)CC1=O	ZINC000827020391	603586172	/nfs/dbraw/zinc/58/61/72/603586172.db2.gz	SJNZLPTYPHMRRX-NSHDSACASA-N	-1	0	294.355	0.638	20	30		CCEDRM
Cn1cc(C#N)cc1C(=O)O[C@@H]1CCN(C(=O)[O-])C1	ZINC000830989977	603676424	/nfs/dbraw/zinc/67/64/24/603676424.db2.gz	WBPACBOIQTUIHZ-SECBINFHSA-N	-1	0	263.253	0.806	20	30		CCEDRM
C[C@H](CC#N)NC(=O)[C@@H]1[C@H](C)OC(C)(C)N1C(=O)[O-]	ZINC000824545044	603708823	/nfs/dbraw/zinc/70/88/23/603708823.db2.gz	UKXZEFYZJVVUDC-VGMNWLOBSA-N	-1	0	269.301	0.908	20	30		CCEDRM
N#C[C@H]1CN(C(=O)[O-])CCN1CCOC[C@@H]1CCCO1	ZINC000831092675	603728335	/nfs/dbraw/zinc/72/83/35/603728335.db2.gz	XTPPHJCVUVUSTK-RYUDHWBXSA-N	-1	0	283.328	0.370	20	30		CCEDRM
N#C[C@H]1CN(C(=O)CC2CN(C(=O)[O-])C2)CCN1C1CC1	ZINC000831076267	603786872	/nfs/dbraw/zinc/78/68/72/603786872.db2.gz	IVOSQBJTIWPJDP-LBPRGKRZSA-N	-1	0	292.339	0.185	20	30		CCEDRM
N#Cc1c[nH]c(C(=O)NC2CCN(C(=O)[O-])CC2)c1	ZINC000831114740	603846945	/nfs/dbraw/zinc/84/69/45/603846945.db2.gz	SRQJWVUIIRQAHE-UHFFFAOYSA-N	-1	0	262.269	0.759	20	30		CCEDRM
N#CCNC(=O)CNc1ccc2c(c1)CN(C(=O)[O-])CC2	ZINC000831102261	603868968	/nfs/dbraw/zinc/86/89/68/603868968.db2.gz	DOQZYBRPXCXDNL-UHFFFAOYSA-N	-1	0	288.307	0.774	20	30		CCEDRM
N#CCn1cc(NC(=O)[C@@H]2CC[C@@H](NC(=O)[O-])C2)cn1	ZINC000831109647	603962210	/nfs/dbraw/zinc/96/22/10/603962210.db2.gz	PPUZVJWYGVZMHJ-RKDXNWHRSA-N	-1	0	277.284	0.781	20	30		CCEDRM
N#CCNC(=O)CC1C[C@H]2CC[C@@H](C1)N2C(=O)[O-]	ZINC000831102481	603991577	/nfs/dbraw/zinc/99/15/77/603991577.db2.gz	KZBAEFLDKPGROP-PBINXNQUSA-N	-1	0	251.286	0.937	20	30		CCEDRM
N#C[C@@H]1CCC[C@H]1NC(=O)[C@@H]1CCCN1C(=O)[O-]	ZINC000831076588	604030034	/nfs/dbraw/zinc/03/00/34/604030034.db2.gz	PKGCKRSEUTXIEP-AEJSXWLSSA-N	-1	0	251.286	0.937	20	30		CCEDRM
N#CCN1CCC[C@@H](CNC(=O)CC2CN(C(=O)[O-])C2)C1	ZINC000831102499	604066611	/nfs/dbraw/zinc/06/66/11/604066611.db2.gz	LPLVNKAZUUBLQU-NSHDSACASA-N	-1	0	294.355	0.338	20	30		CCEDRM
N#Cc1ccc(C(=O)N2CCN(C(=O)[O-])C[C@@H]2C#N)s1	ZINC000831122749	604069763	/nfs/dbraw/zinc/06/97/63/604069763.db2.gz	QHLZJDOCXQOUBQ-QMMMGPOBSA-N	-1	0	290.304	0.948	20	30		CCEDRM
Cc1ncccc1C(=O)N1CCN(C(=O)[O-])C[C@@H]1C#N	ZINC000830818646	604155108	/nfs/dbraw/zinc/15/51/08/604155108.db2.gz	OHJQRYKITJSOBZ-JTQLQIEISA-N	-1	0	274.280	0.718	20	30		CCEDRM
C[C@H](CN(C)C(=O)[O-])C(=O)[C@@H](C#N)C(=O)N1CCCC1	ZINC000824825091	604251444	/nfs/dbraw/zinc/25/14/44/604251444.db2.gz	QHCSTSCXTFXQLH-NXEZZACHSA-N	-1	0	281.312	0.564	20	30		CCEDRM
C[C@@H](CN(C)C(=O)[O-])C(=O)[C@H](C#N)C(=O)NC1CC1	ZINC000824822491	604252769	/nfs/dbraw/zinc/25/27/69/604252769.db2.gz	AKQYRXVBIMETDC-CBAPKCEASA-N	-1	0	267.285	0.220	20	30		CCEDRM
N#CCN(CC(=O)[O-])C(=O)Cc1csc2nccn12	ZINC000833065560	604284895	/nfs/dbraw/zinc/28/48/95/604284895.db2.gz	CWVCRPNJLKPKDY-UHFFFAOYSA-N	-1	0	278.293	0.375	20	30		CCEDRM
C[C@H](NC(=O)[O-])[C@@H]1CN(c2nccnc2C#N)CCO1	ZINC000825372749	604452116	/nfs/dbraw/zinc/45/21/16/604452116.db2.gz	QZIKZQOXCOIURT-WPRPVWTQSA-N	-1	0	277.284	0.210	20	30		CCEDRM
CC(C)C[C@H](C#N)NS(=O)(=O)c1c[nH]c(C(=O)[O-])c1	ZINC000833473382	604539427	/nfs/dbraw/zinc/53/94/27/604539427.db2.gz	CUBVXUGCZVYTHW-MRVPVSSYSA-N	-1	0	285.325	0.929	20	30		CCEDRM
C[C@H](OC(=O)C1(C#N)CC(C)C1)C(=O)NCC(=O)[O-]	ZINC000828156921	604603740	/nfs/dbraw/zinc/60/37/40/604603740.db2.gz	UXKSVWLJUNMYNF-XIGTVVQJSA-N	-1	0	268.269	0.059	20	30		CCEDRM
C[C@H](OC(=O)C(C)(C)C#N)c1cn(CC(=O)[O-])nn1	ZINC000827803939	604683079	/nfs/dbraw/zinc/68/30/79/604683079.db2.gz	QAICVNMLDUQTJM-ZETCQYMHSA-N	-1	0	266.257	0.517	20	30		CCEDRM
C=CCOCC(=O)O[C@@H](C)c1cn(CC(=O)[O-])nn1	ZINC000825698302	604698921	/nfs/dbraw/zinc/69/89/21/604698921.db2.gz	CKMBBEMFMDYZJH-QMMMGPOBSA-N	-1	0	269.257	0.170	20	30		CCEDRM
N#Cc1cc(C(=O)[O-])cn(CCCCCCO)c1=O	ZINC000833068573	604710785	/nfs/dbraw/zinc/71/07/85/604710785.db2.gz	CIYNHPUBNQYYJN-UHFFFAOYSA-N	-1	0	264.281	0.971	20	30		CCEDRM
C[C@H](NC(=O)[O-])[C@H]1CN(C(=O)C2(C#N)CCCC2)CCO1	ZINC000825296111	604714028	/nfs/dbraw/zinc/71/40/28/604714028.db2.gz	ZEYTUMBBTWARSJ-WDEREUQCSA-N	-1	0	295.339	0.954	20	30		CCEDRM
C[C@H](NC(=O)[O-])[C@H]1CN(C(=O)C2(C#N)CCC2)CCO1	ZINC000825292872	604736459	/nfs/dbraw/zinc/73/64/59/604736459.db2.gz	CTYUQPJJUBYKDI-VHSXEESVSA-N	-1	0	281.312	0.564	20	30		CCEDRM
C#CC[C@@H](NC(=O)[C@@](C)(C=C)CCOC)C(=O)[O-]	ZINC000910048195	613041084	/nfs/dbraw/zinc/04/10/84/613041084.db2.gz	GRIDYXNSWRCPDU-MFKMUULPSA-N	-1	0	253.298	0.808	20	30		CCEDRM
C[C@@H]1CCC[C@@](C#N)(NC(=O)[C@H]2CN(C(=O)[O-])CCO2)C1	ZINC000825880091	604924312	/nfs/dbraw/zinc/92/43/12/604924312.db2.gz	HBVFSNSTMIDGMU-JTNHKYCSSA-N	-1	0	295.339	0.954	20	30		CCEDRM
N#Cc1ccccc1COC(=O)[C@H]1CN(C(=O)[O-])CCO1	ZINC000831152968	605068587	/nfs/dbraw/zinc/06/85/87/605068587.db2.gz	TWVSMSRCKVNKIO-GFCCVEGCSA-N	-1	0	290.275	0.980	20	30		CCEDRM
C#CCN1CCN(C(=O)C2CCC(C(=O)[O-])CC2)CC1	ZINC000383876852	605108865	/nfs/dbraw/zinc/10/88/65/605108865.db2.gz	VOFUCTGCBFYWBM-UHFFFAOYSA-N	-1	0	278.352	0.655	20	30		CCEDRM
C=CC[C@H](CO)CNC(=O)CCCN(C)C(=O)[O-]	ZINC000833370590	605201709	/nfs/dbraw/zinc/20/17/09/605201709.db2.gz	MEJWRLAMPNRZNV-JTQLQIEISA-N	-1	0	258.318	0.677	20	30		CCEDRM
C#CCN(CC#C)S(=O)(=O)c1cc(C(=O)[O-])co1	ZINC000688532179	605206556	/nfs/dbraw/zinc/20/65/56/605206556.db2.gz	RLKMZOYKFVGGBN-UHFFFAOYSA-N	-1	0	267.262	0.235	20	30		CCEDRM
C[C@H](C#N)COC(=O)C[C@@H]1CN(C(=O)[O-])CCO1	ZINC000823646461	605285017	/nfs/dbraw/zinc/28/50/17/605285017.db2.gz	CFYPULDTSTWHRJ-RKDXNWHRSA-N	-1	0	256.258	0.458	20	30		CCEDRM
N#CCCN(CC1CC1)C(=O)CCOC1CN(C(=O)[O-])C1	ZINC000833966066	605305793	/nfs/dbraw/zinc/30/57/93/605305793.db2.gz	ZDBKTVKCHMMQPG-UHFFFAOYSA-N	-1	0	295.339	0.908	20	30		CCEDRM
N#Cc1ccc(N2CCCC[C@@H]2CNC(=O)[O-])nn1	ZINC000833975301	605418330	/nfs/dbraw/zinc/41/83/30/605418330.db2.gz	MSFXUYRMEITACE-SNVBAGLBSA-N	-1	0	261.285	0.975	20	30		CCEDRM
O=C([O-])NCCC=NNC(=S)NC[C@H]1CCCO1	ZINC000832605100	605461780	/nfs/dbraw/zinc/46/17/80/605461780.db2.gz	IUIWUWXQTGKUIC-MRVPVSSYSA-N	-1	0	274.346	0.273	20	30		CCEDRM
N#C[C@H](NC(=O)[C@@H]1CCC[C@H]1NC(=O)[O-])C1CC1	ZINC000833961348	605461942	/nfs/dbraw/zinc/46/19/42/605461942.db2.gz	QNEACYAPXMXDQF-BBBLOLIVSA-N	-1	0	251.286	0.841	20	30		CCEDRM
C#CCSCCNC(=O)c1cnc(C(=O)[O-])cn1	ZINC000833368813	605567354	/nfs/dbraw/zinc/56/73/54/605567354.db2.gz	UHDHIKVEDASPNW-UHFFFAOYSA-N	-1	0	265.294	0.271	20	30		CCEDRM
N#CCOc1cccc(CC(=O)NCCNC(=O)[O-])c1	ZINC000833967044	605578793	/nfs/dbraw/zinc/57/87/93/605578793.db2.gz	OGAYUFACPQYDLK-UHFFFAOYSA-N	-1	0	277.280	0.515	20	30		CCEDRM
N#Cc1c[nH]c(C(=O)N[C@H]2CCCN(C(=O)[O-])C2)c1	ZINC000831114723	605624886	/nfs/dbraw/zinc/62/48/86/605624886.db2.gz	SBIBXUIWTDSEOE-VIFPVBQESA-N	-1	0	262.269	0.759	20	30		CCEDRM
C[C@@H](CC#N)NC(=O)CN1CCC(NC(=O)[O-])CC1	ZINC000824545424	605676935	/nfs/dbraw/zinc/67/69/35/605676935.db2.gz	XOJMKEJRMBTJOO-VIFPVBQESA-N	-1	0	268.317	0.137	20	30		CCEDRM
N#C[C@@H]1CN(C(=O)[O-])C[C@@H]1NC[C@@H](O)C(F)(F)F	ZINC000833966312	605685488	/nfs/dbraw/zinc/68/54/88/605685488.db2.gz	KAPZJTUPKSJMCS-DSYKOEDSSA-N	-1	0	267.207	0.001	20	30		CCEDRM
C[C@@]1(C(=O)[O-])CCN(C(=O)[C@H](O)c2ccc(C#N)cc2)C1	ZINC000833554356	605757533	/nfs/dbraw/zinc/75/75/33/605757533.db2.gz	WHUDBUPAYVQKMF-IUODEOHRSA-N	-1	0	288.303	0.915	20	30		CCEDRM
N#CCSCC(=O)N(C1CC1)[C@@H]1CCN(C(=O)[O-])C1	ZINC000831109761	605792905	/nfs/dbraw/zinc/79/29/05/605792905.db2.gz	SRBSUQPXCRZATQ-SNVBAGLBSA-N	-1	0	283.353	0.986	20	30		CCEDRM
N#Cc1ccc(C(=O)N[C@@H](CNC(=O)[O-])C2CC2)[nH]1	ZINC000833972370	605870810	/nfs/dbraw/zinc/87/08/10/605870810.db2.gz	BYJRPCMDYRRRGX-JTQLQIEISA-N	-1	0	262.269	0.662	20	30		CCEDRM
N#CCN1CCC(CNC(=O)CCCCNC(=O)[O-])CC1	ZINC000833967703	605923686	/nfs/dbraw/zinc/92/36/86/605923686.db2.gz	SWJWFYZWSGEOKH-UHFFFAOYSA-N	-1	0	296.371	0.776	20	30		CCEDRM
N#CCC1CCN(C(=O)[C@@H]2C[C@H](O)CN2C(=O)[O-])CC1	ZINC000833967860	605932550	/nfs/dbraw/zinc/93/25/50/605932550.db2.gz	HREFRLATUOREQP-QWRGUYRKSA-N	-1	0	281.312	0.252	20	30		CCEDRM
N#CCC1CCN(C(=O)COCCNC(=O)[O-])CC1	ZINC000833969220	605933089	/nfs/dbraw/zinc/93/30/89/605933089.db2.gz	TTWAERRQLJQOHB-UHFFFAOYSA-N	-1	0	269.301	0.423	20	30		CCEDRM
N#C[C@@H]1CSCCN1C(=O)[C@]1(F)CCN(C(=O)[O-])C1	ZINC000833966085	605978567	/nfs/dbraw/zinc/97/85/67/605978567.db2.gz	HLDMIHLRUUNOAS-KCJUWKMLSA-N	-1	0	287.316	0.546	20	30		CCEDRM
N#CC1(NC(=O)[C@H]2CN(C(=O)[O-])CCO2)CCSCC1	ZINC000833963196	606072798	/nfs/dbraw/zinc/07/27/98/606072798.db2.gz	IMNPOAWSLNIZBO-SECBINFHSA-N	-1	0	299.352	0.271	20	30		CCEDRM
N#Cc1nc(NC(=O)[C@@H]2CC23CCCC3)[n-]c1-c1nn[nH]n1	ZINC000822814185	606158867	/nfs/dbraw/zinc/15/88/67/606158867.db2.gz	BXWXBJOCBKMZGY-ZETCQYMHSA-N	-1	0	298.310	0.980	20	30		CCEDRM
C#CCCS(=O)(=O)[N-]C(=O)CCOCC(C)C	ZINC000810785278	613052762	/nfs/dbraw/zinc/05/27/62/613052762.db2.gz	DXLOAKOAXKKBNW-UHFFFAOYSA-N	-1	0	261.343	0.518	20	30		CCEDRM
C#CCCS(=O)(=O)[N-]C(=O)[C@H]1CC[C@H](OC)C1	ZINC000850999763	613053338	/nfs/dbraw/zinc/05/33/38/613053338.db2.gz	IWUBIJBJBQYJKV-UWVGGRQHSA-N	-1	0	259.327	0.271	20	30		CCEDRM
C#CCN(C(=O)CCCn1c(=O)[n-][nH]c1=O)C1CSC1	ZINC000912361575	613065736	/nfs/dbraw/zinc/06/57/36/613065736.db2.gz	IPKCGTIIABFQHS-UHFFFAOYSA-N	-1	0	296.352	0.047	20	30		CCEDRM
N#Cc1c(Cl)nsc1-n1cnc(-c2nnn[n-]2)n1	ZINC000826383067	608173017	/nfs/dbraw/zinc/17/30/17/608173017.db2.gz	IVPXABWNJCWWRH-UHFFFAOYSA-N	-1	0	279.676	0.429	20	30		CCEDRM
C#C[C@@](C)(CC)NC(=O)[C@@H]1C[C@H](C)[C@@H](C(=O)[O-])O1	ZINC000911384493	613112732	/nfs/dbraw/zinc/11/27/32/613112732.db2.gz	AZXUALXLTGSQHO-YVNDNENWSA-N	-1	0	253.298	0.783	20	30		CCEDRM
C=C(Cl)C[C@H](NC(=O)CNC(=O)C1CC1)C(=O)[O-]	ZINC000864185095	613390477	/nfs/dbraw/zinc/39/04/77/613390477.db2.gz	SQCCCGPERUSSHB-QMMMGPOBSA-N	-1	0	274.704	0.225	20	30		CCEDRM
C#CCC(C)(C)C(=O)[N-]S(=O)(=O)C[C@H]1CCCOC1	ZINC000810877048	612965863	/nfs/dbraw/zinc/96/58/63/612965863.db2.gz	QAYOUJGDLZJWAX-NSHDSACASA-N	-1	0	287.381	0.909	20	30		CCEDRM
C=CCN(CC(=O)OCC)C(=O)[C@@H](C)CC(=O)[O-]	ZINC000825676122	613644755	/nfs/dbraw/zinc/64/47/55/613644755.db2.gz	VONXXWXBFOVJHS-VIFPVBQESA-N	-1	0	257.286	0.675	20	30		CCEDRM
C=CCS(=O)(=O)[N-]C(=O)C[C@H](C)n1ccnc1	ZINC000845498654	613886074	/nfs/dbraw/zinc/88/60/74/613886074.db2.gz	IJKRIOVSZSGRFO-VIFPVBQESA-N	-1	0	257.315	0.466	20	30		CCEDRM
CC(C)[C@@H](F)C(=O)[N-]S(=O)(=O)CC1(C#N)CC1	ZINC000793198588	614115877	/nfs/dbraw/zinc/11/58/77/614115877.db2.gz	YQQJEJPYMBURMK-MRVPVSSYSA-N	-1	0	262.306	0.730	20	30		CCEDRM
C#CCCCC(=O)[N-]S(=O)(=O)CC(C)(C)C(=O)OC	ZINC000811140029	612975161	/nfs/dbraw/zinc/97/51/61/612975161.db2.gz	YERFPMJAGCCJHC-UHFFFAOYSA-N	-1	0	289.353	0.435	20	30		CCEDRM
C#CCCCCC(=O)N[C@H](COCC=C)C(=O)[O-]	ZINC000909772491	612976116	/nfs/dbraw/zinc/97/61/16/612976116.db2.gz	ZVPGPJYKTUWFNT-LLVKDONJSA-N	-1	0	253.298	0.952	20	30		CCEDRM
COc1ccc(C=Nn2c(=O)[n-][nH]c2=O)c(C)c1OC	ZINC000814233022	617238587	/nfs/dbraw/zinc/23/85/87/617238587.db2.gz	XRYJWSRPLCMZFW-UHFFFAOYSA-N	-1	0	278.268	0.897	20	30		CCEDRM
CSC[C@@H](CCO)NC(=O)[C@](C)(C#N)CC(=O)[O-]	ZINC000820906256	617248932	/nfs/dbraw/zinc/24/89/32/617248932.db2.gz	UQCYFGQQAXNULR-KCJUWKMLSA-N	-1	0	274.342	0.221	20	30		CCEDRM
C[C@@H](C#N)[N-]S(=O)(=O)N=[S@@](C)(=O)c1ccccc1	ZINC000906062194	617296600	/nfs/dbraw/zinc/29/66/00/617296600.db2.gz	WZBSVANJUCMKRE-XYZCENFISA-N	-1	0	287.366	0.890	20	30		CCEDRM
C#CCC(C)(C)C(=O)[N-]S(=O)(=O)N(C)CCC	ZINC000810626929	612966021	/nfs/dbraw/zinc/96/60/21/612966021.db2.gz	KJFXGUIIXHIMAA-UHFFFAOYSA-N	-1	0	260.359	0.739	20	30		CCEDRM
C#CCCCCNC(=O)N[C@@](C)(Cn1cccn1)C(=O)[O-]	ZINC000900284357	612978036	/nfs/dbraw/zinc/97/80/36/612978036.db2.gz	JAIFBYWEXPUEOG-AWEZNQCLSA-N	-1	0	292.339	0.829	20	30		CCEDRM
C#CCCCNC(=O)C(=O)N1CC[C@@H](C(=O)[O-])[C@@H](C)C1	ZINC000861716373	612979404	/nfs/dbraw/zinc/97/94/04/612979404.db2.gz	QRWREVJKFCFGSZ-WDEREUQCSA-N	-1	0	280.324	0.085	20	30		CCEDRM
C#CCCCNC(=O)N1C[C@H](C(=O)OC)CC[C@H]1C(=O)[O-]	ZINC000909028483	612981669	/nfs/dbraw/zinc/98/16/69/612981669.db2.gz	SDQZHPFMVVZVJH-MNOVXSKESA-N	-1	0	296.323	0.448	20	30		CCEDRM
C#CCOCCNC(=O)NCCc1ccc(C(=O)[O-])cc1	ZINC000833366236	612987156	/nfs/dbraw/zinc/98/71/56/612987156.db2.gz	MXJYAJFKFYBOBQ-UHFFFAOYSA-N	-1	0	290.319	0.876	20	30		CCEDRM
C#CCOCCNC(=O)Nc1ccc(-c2nn[nH]n2)cc1	ZINC000823856150	612988114	/nfs/dbraw/zinc/98/81/14/612988114.db2.gz	KYYCDWFAQIBUMT-UHFFFAOYSA-N	-1	0	286.295	0.638	20	30		CCEDRM
C#CCOCCNC(=O)c1ccc(C(=O)[O-])c(F)c1	ZINC000833365985	612988747	/nfs/dbraw/zinc/98/87/47/612988747.db2.gz	ANWVAWUSRKQRJQ-UHFFFAOYSA-N	-1	0	265.240	0.904	20	30		CCEDRM
C#CCOCCOC(=O)c1ccc(OCC(=O)[O-])cc1	ZINC000825625493	612990960	/nfs/dbraw/zinc/99/09/60/612990960.db2.gz	GMIBREGVDIPOBI-UHFFFAOYSA-N	-1	0	278.260	0.957	20	30		CCEDRM
C#CCO[N-]C(=O)CN1C(=O)c2ccc(C)cc2C1=O	ZINC000812783534	612992080	/nfs/dbraw/zinc/99/20/80/612992080.db2.gz	UIEODULHGAQVET-UHFFFAOYSA-N	-1	0	272.260	0.272	20	30		CCEDRM
C#CCO[N-]C(=O)[C@@H](C)n1nnc(-c2ccccc2)n1	ZINC000812782555	612992356	/nfs/dbraw/zinc/99/23/56/612992356.db2.gz	XUAVYDFZEHRTAV-SNVBAGLBSA-N	-1	0	271.280	0.582	20	30		CCEDRM
C#CCO[N-]C(=O)[C@@H]1CC(=O)Nc2cc(F)ccc21	ZINC000812784283	612992684	/nfs/dbraw/zinc/99/26/84/612992684.db2.gz	GODCRYKGFPFUAZ-SNVBAGLBSA-N	-1	0	262.240	0.933	20	30		CCEDRM
C#CCO[N-]C(=O)[C@@H]1COc2cc(OC)ccc2C1	ZINC000812785240	612992737	/nfs/dbraw/zinc/99/27/37/612992737.db2.gz	XDVPQXBVVMZVQY-NSHDSACASA-N	-1	0	261.277	0.927	20	30		CCEDRM
C#CCO[N-]C(=O)[C@H]1CCCN1CC(F)(F)F	ZINC000812786745	612992924	/nfs/dbraw/zinc/99/29/24/612992924.db2.gz	QRCYPAJDDHBKLC-MRVPVSSYSA-N	-1	0	250.220	0.694	20	30		CCEDRM
C#CCO[C@@H](C)C(=O)N(CCC(=O)[O-])C[C@H]1CCCO1	ZINC000908988282	612993941	/nfs/dbraw/zinc/99/39/41/612993941.db2.gz	OBCLNQYJGGYDNI-NWDGAFQWSA-N	-1	0	283.324	0.507	20	30		CCEDRM
C#CCO[C@H](C)C(=O)N(C[C@@H](C)C(=O)[O-])C1CC1	ZINC000909456064	612999219	/nfs/dbraw/zinc/99/92/19/612999219.db2.gz	CPJDPQNQNAQBQQ-NXEZZACHSA-N	-1	0	253.298	0.736	20	30		CCEDRM
C#CCO[C@H](C)C(=O)N[C@](C)(CC(=O)[O-])c1ccncc1	ZINC000911622408	613003511	/nfs/dbraw/zinc/00/35/11/613003511.db2.gz	BQRWUADDPYUKPD-IAQYHMDHSA-N	-1	0	290.319	0.926	20	30		CCEDRM
C#CCO[C@H](C)C(=O)N[C@]1(CC(=O)[O-])CCCOC1	ZINC000909694145	613003534	/nfs/dbraw/zinc/00/35/34/613003534.db2.gz	SWHZMZRRWYTFBB-MFKMUULPSA-N	-1	0	269.297	0.165	20	30		CCEDRM
C#CCOc1ccc(CNC(=O)CCCc2nnn[n-]2)cc1	ZINC000823374685	613005656	/nfs/dbraw/zinc/00/56/56/613005656.db2.gz	YBZYMSNBBPJLOP-UHFFFAOYSA-N	-1	0	299.334	0.851	20	30		CCEDRM
C#CC[C@@H](CO)[N-]S(=O)(=O)N=[S@](C)(=O)C(C)(C)C	ZINC000882340733	613030650	/nfs/dbraw/zinc/03/06/50/613030650.db2.gz	PTYVLVGDOVYYQD-HUTHGQBESA-N	-1	0	296.414	0.101	20	30		CCEDRM
C#CC[C@@H](NC(=O)COC1CCCCC1)C(=O)[O-]	ZINC000910052890	613039801	/nfs/dbraw/zinc/03/98/01/613039801.db2.gz	JOCKYQHQPLGUES-LLVKDONJSA-N	-1	0	253.298	0.928	20	30		CCEDRM
C#CC[C@@H](NC(=O)C[C@H](C)n1ccc(C)n1)C(=O)[O-]	ZINC000910051413	613039991	/nfs/dbraw/zinc/03/99/91/613039991.db2.gz	USMVSZFODUILSP-WDEREUQCSA-N	-1	0	263.297	0.735	20	30		CCEDRM
C#CC[C@@H](NC(=O)Cc1cn2cccc(C)c2n1)C(=O)[O-]	ZINC000910051154	613040330	/nfs/dbraw/zinc/04/03/30/613040330.db2.gz	FURCAJRNRUGUQA-GFCCVEGCSA-N	-1	0	285.303	0.778	20	30		CCEDRM
C#CC[C@@H](NC(=O)[C@H]1COc2cc(F)ccc2C1)C(=O)[O-]	ZINC000910048349	613041169	/nfs/dbraw/zinc/04/11/69/613041169.db2.gz	JHBZWIDGPXOLMP-ZYHUDNBSSA-N	-1	0	291.278	0.970	20	30		CCEDRM
C#CC[C@@H](NC(=O)c1c2c(nn1C)CCC2)C(=O)[O-]	ZINC000910048399	613041470	/nfs/dbraw/zinc/04/14/70/613041470.db2.gz	KRZNKCHIMLNWJW-SNVBAGLBSA-N	-1	0	261.281	0.115	20	30		CCEDRM
C#CC[C@@H](NC(=O)c1scnc1CC)C(=O)[O-]	ZINC000910051436	613042726	/nfs/dbraw/zinc/04/27/26/613042726.db2.gz	VGAYTPCUPGGGNG-MRVPVSSYSA-N	-1	0	252.295	0.912	20	30		CCEDRM
C#CC[C@@H]1CCCN(C(=O)CCCc2nnn[n-]2)C1	ZINC000824021418	613044255	/nfs/dbraw/zinc/04/42/55/613044255.db2.gz	MPKZAYLCCBHETD-LLVKDONJSA-N	-1	0	261.329	0.784	20	30		CCEDRM
C#CCCNC(=O)C(=O)Nc1ccsc1C(=O)[O-]	ZINC000833365314	613046811	/nfs/dbraw/zinc/04/68/11/613046811.db2.gz	OMOYCNSUQPHXBH-UHFFFAOYSA-N	-1	0	266.278	0.524	20	30		CCEDRM
C#CCCS(=O)(=O)[N-]C(=O)Cc1cccc([N+](=O)[O-])c1	ZINC000810779460	613052971	/nfs/dbraw/zinc/05/29/71/613052971.db2.gz	NKFZCRZAIOUFCC-UHFFFAOYSA-N	-1	0	296.304	0.607	20	30		CCEDRM
C#CCCS(=O)(=O)[N-]C(=O)[C@H](OC)C1CCCC1	ZINC000850999757	613053407	/nfs/dbraw/zinc/05/34/07/613053407.db2.gz	KDAZRGWGSXAKDD-LLVKDONJSA-N	-1	0	273.354	0.661	20	30		CCEDRM
C#CCCS(=O)(=O)[N-]C(=O)c1ccc2nccnc2c1	ZINC000810785526	613053646	/nfs/dbraw/zinc/05/36/46/613053646.db2.gz	LCTHEOOEZXTCIM-UHFFFAOYSA-N	-1	0	289.316	0.713	20	30		CCEDRM
C#CCCS(=O)(=O)[N-]C(=O)c1cnn(CC)c1C	ZINC000870331079	613053798	/nfs/dbraw/zinc/05/37/98/613053798.db2.gz	JTPKVUAHJPGLIH-UHFFFAOYSA-N	-1	0	269.326	0.294	20	30		CCEDRM
C#CCCS(=O)(=O)[N-]C(=O)c1nc(C)sc1C	ZINC000810782491	613053878	/nfs/dbraw/zinc/05/38/78/613053878.db2.gz	ODHKLFSPVYLLFK-UHFFFAOYSA-N	-1	0	272.351	0.843	20	30		CCEDRM
C#CC[C@H](NC(=O)Cc1cc(F)ccc1OC)C(=O)[O-]	ZINC000910046044	613068005	/nfs/dbraw/zinc/06/80/05/613068005.db2.gz	KJDVDLLGQBXICM-NSHDSACASA-N	-1	0	279.267	0.970	20	30		CCEDRM
C#CC[C@H](NC(=O)C[C@@H]1CCOC[C@H]1OCC)C(=O)[O-]	ZINC000910048067	613068136	/nfs/dbraw/zinc/06/81/36/613068136.db2.gz	CWWHBSIKBBWUEJ-SDDRHHMPSA-N	-1	0	283.324	0.411	20	30		CCEDRM
C#CC[C@H](NC(=O)[C@@H](C)Cc1cnn(C)c1)C(=O)[O-]	ZINC000910050315	613068522	/nfs/dbraw/zinc/06/85/22/613068522.db2.gz	HUVSFWKLIQPMPJ-ONGXEEELSA-N	-1	0	263.297	0.191	20	30		CCEDRM
C#CC[C@H](NC(=O)[C@@H](C)NC(=O)C1CCCC1)C(=O)[O-]	ZINC000910053019	613068539	/nfs/dbraw/zinc/06/85/39/613068539.db2.gz	MQIWFXRPWRZDSD-KOLCDFICSA-N	-1	0	280.324	0.274	20	30		CCEDRM
C#CC[C@H](NC(=O)[C@@H]1CCCN(C(=O)CC)C1)C(=O)[O-]	ZINC000910050988	613068722	/nfs/dbraw/zinc/06/87/22/613068722.db2.gz	CSYCCWARBGDRNN-MNOVXSKESA-N	-1	0	280.324	0.228	20	30		CCEDRM
C#CC[C@H](NC(=O)c1ccn(C2CCOCC2)n1)C(=O)[O-]	ZINC000910048820	613070383	/nfs/dbraw/zinc/07/03/83/613070383.db2.gz	PFFOKTDSNBNSSC-LBPRGKRZSA-N	-1	0	291.307	0.441	20	30		CCEDRM
C#CC[C@H]1CCCN(C(=O)[C@H]2CC[C@@H](C(=O)[O-])O2)C1	ZINC000864153569	613072472	/nfs/dbraw/zinc/07/24/72/613072472.db2.gz	DFVPSOACEGSXIW-TUAOUCFPSA-N	-1	0	265.309	0.881	20	30		CCEDRM
C#CCn1cc(CNC(=O)C2(C(=O)[O-])CCC2)cn1	ZINC000911716477	613076438	/nfs/dbraw/zinc/07/64/38/613076438.db2.gz	JWRHYGZZTPPMPW-UHFFFAOYSA-N	-1	0	261.281	0.387	20	30		CCEDRM
COc1ccccc1CO[N-]C(=O)Cn1cnc(C#N)n1	ZINC000799097298	617315424	/nfs/dbraw/zinc/31/54/24/617315424.db2.gz	BTDYRKSTVOLWPS-UHFFFAOYSA-N	-1	0	287.279	0.406	20	30		CCEDRM
C#C[C@@H](NC(=O)C1(C(=O)[O-])CCCC1)[C@H]1CCCO1	ZINC000911580783	613091693	/nfs/dbraw/zinc/09/16/93/613091693.db2.gz	UFBQABWMXMPQRU-GHMZBOCLSA-N	-1	0	265.309	0.928	20	30		CCEDRM
C#CCN(CC#C)C(=O)CC[C@H]1CCN(C(=O)[O-])C1	ZINC000833786901	613098581	/nfs/dbraw/zinc/09/85/81/613098581.db2.gz	DDRRZOMWHJDDPY-LBPRGKRZSA-N	-1	0	262.309	0.862	20	30		CCEDRM
C#C[C@@H](NC(=O)[C@H]1C[C@@H](C)[C@H](C(=O)[O-])O1)[C@H]1CCCO1	ZINC000911579223	613098575	/nfs/dbraw/zinc/09/85/75/613098575.db2.gz	OLMACSXDZQGVMF-LZQZFOIKSA-N	-1	0	281.308	0.162	20	30		CCEDRM
C#CCN(CC(=O)[O-])S(=O)(=O)c1ccc(COC)cc1	ZINC000849219513	613103594	/nfs/dbraw/zinc/10/35/94/613103594.db2.gz	ZJIQDJYBOLUTGD-UHFFFAOYSA-N	-1	0	297.332	0.542	20	30		CCEDRM
C#C[C@@H]1CCCN(C(=O)Cn2ccc(C(=O)[O-])n2)C1	ZINC000911407227	613104056	/nfs/dbraw/zinc/10/40/56/613104056.db2.gz	ITPLRKYUOHKBSK-SNVBAGLBSA-N	-1	0	261.281	0.453	20	30		CCEDRM
C#CCN(CC)C(=O)[C@H]1[C@@H](C)OC(C)(C)N1C(=O)[O-]	ZINC000833787604	613106237	/nfs/dbraw/zinc/10/62/37/613106237.db2.gz	VLUOXJSBMCJSRA-NXEZZACHSA-N	-1	0	268.313	0.972	20	30		CCEDRM
C#C[C@H](C)N(C)S(=O)(=O)c1cccc(CC(=O)[O-])c1	ZINC000871950922	613114382	/nfs/dbraw/zinc/11/43/82/613114382.db2.gz	KVIIUACADFPWPH-JTQLQIEISA-N	-1	0	281.333	0.956	20	30		CCEDRM
C#C[C@H](CCC)NC(=O)[C@@H]1C[C@H](C)[C@@H](C(=O)[O-])O1	ZINC000911612126	613124206	/nfs/dbraw/zinc/12/42/06/613124206.db2.gz	RNOOUGOCGDZPEY-VLEAKVRGSA-N	-1	0	253.298	0.783	20	30		CCEDRM
C#C[C@H](NC(=O)[C@@H](CC)C(=O)[O-])C1CCOCC1	ZINC000911790316	613145281	/nfs/dbraw/zinc/14/52/81/613145281.db2.gz	JINZWTLPCLFZRH-MNOVXSKESA-N	-1	0	253.298	0.642	20	30		CCEDRM
C#C[C@H](NC(=O)c1cccc(C(=O)[O-])n1)[C@@H]1CCCO1	ZINC000911581223	613149140	/nfs/dbraw/zinc/14/91/40/613149140.db2.gz	WPCACBZTTYHWFJ-CABZTGNLSA-N	-1	0	274.276	0.690	20	30		CCEDRM
C#C[C@H](NC(=O)c1ccnc(C(=O)[O-])c1)[C@H]1CCCO1	ZINC000911577944	613149293	/nfs/dbraw/zinc/14/92/93/613149293.db2.gz	GEUJDDSNSLVNNN-CMPLNLGQSA-N	-1	0	274.276	0.690	20	30		CCEDRM
C#Cc1ccc(C(=O)N2CCC[C@@H]2CNC(=O)[O-])nc1	ZINC000823467557	613169087	/nfs/dbraw/zinc/16/90/87/613169087.db2.gz	ZXMUICPDJZCNNG-LLVKDONJSA-N	-1	0	273.292	0.935	20	30		CCEDRM
C#Cc1ccc(C(=O)N2CCN(C(=O)[O-])C[C@@H]2C#N)nc1	ZINC000823467373	613169582	/nfs/dbraw/zinc/16/95/82/613169582.db2.gz	UZTTUHCVEVEUJY-NSHDSACASA-N	-1	0	284.275	0.391	20	30		CCEDRM
C#Cc1ccc(C(=O)N2CC[C@@H](OC)C[C@H]2C(=O)[O-])cn1	ZINC000833368522	613172807	/nfs/dbraw/zinc/17/28/07/613172807.db2.gz	PVGNNHCUPKSHSR-OLZOCXBDSA-N	-1	0	288.303	0.767	20	30		CCEDRM
C#CCN1CCC[C@@H]1COC(=O)c1cnc(C(=O)[O-])cn1	ZINC000833364608	613176908	/nfs/dbraw/zinc/17/69/08/613176908.db2.gz	QFDWUXOTKVMVDG-SNVBAGLBSA-N	-1	0	289.291	0.429	20	30		CCEDRM
C#Cc1ccc(C(=O)N[C@@](C)(COC)CC(=O)[O-])cn1	ZINC000825636463	613187877	/nfs/dbraw/zinc/18/78/77/613187877.db2.gz	KRZGUVOGBJDXER-CQSZACIVSA-N	-1	0	276.292	0.673	20	30		CCEDRM
C#Cc1cccc(NC(=O)C(=O)NC2CN(C(=O)[O-])C2)c1	ZINC000833368490	613202820	/nfs/dbraw/zinc/20/28/20/613202820.db2.gz	OIIRXVGKZSNHCH-UHFFFAOYSA-N	-1	0	287.275	0.085	20	30		CCEDRM
C#Cc1cccc(NC(=O)C(=O)N[C@H](C)C(=O)[O-])c1	ZINC000817675206	613203092	/nfs/dbraw/zinc/20/30/92/613203092.db2.gz	AUAPKWNRYIIWDH-MRVPVSSYSA-N	-1	0	260.249	0.196	20	30		CCEDRM
C#Cc1cncc(C(=O)N2CCC[C@H](C(=O)[O-])C2)c1	ZINC000908597101	613213250	/nfs/dbraw/zinc/21/32/50/613213250.db2.gz	CSMHEXBATKJMJP-NSHDSACASA-N	-1	0	258.277	1.000	20	30		CCEDRM
C#Cc1cncc(C(=O)N[C@@]2(C(=O)[O-])CCOC2)c1	ZINC000909378754	613221030	/nfs/dbraw/zinc/22/10/30/613221030.db2.gz	NDMFLMRANGSFMQ-ZDUSSCGKSA-N	-1	0	260.249	0.036	20	30		CCEDRM
C#Cc1cncc(C(=O)N[C@H](CC(F)F)C(=O)[O-])c1	ZINC000909774124	613221140	/nfs/dbraw/zinc/22/11/40/613221140.db2.gz	MYVYCDCUFNBJHO-SECBINFHSA-N	-1	0	268.219	0.901	20	30		CCEDRM
C=C(C)C(C)(C)C(=O)[N-]S(=O)(=O)c1ccnn1C	ZINC000820632257	613244427	/nfs/dbraw/zinc/24/44/27/613244427.db2.gz	HJIZXJDYGOYQMS-UHFFFAOYSA-N	-1	0	271.342	0.827	20	30		CCEDRM
C#CCNC(=O)COC(=O)c1ccc(NC(=O)[O-])c(O)c1	ZINC000825619072	613333019	/nfs/dbraw/zinc/33/30/19/613333019.db2.gz	JVWIBIKFBBMPNJ-UHFFFAOYSA-N	-1	0	292.247	0.388	20	30		CCEDRM
C=C(C)CO[N-]C(=O)[C@@H](C)S(=O)(=O)C1CCOCC1	ZINC000846536432	613353709	/nfs/dbraw/zinc/35/37/09/613353709.db2.gz	LCMJAVJWQZYJGO-SNVBAGLBSA-N	-1	0	291.369	0.593	20	30		CCEDRM
C=C(C)C[C@@H](NC(=O)NCCOCCOC)C(=O)[O-]	ZINC000908888445	613355916	/nfs/dbraw/zinc/35/59/16/613355916.db2.gz	CLOKXACUTOKODT-SNVBAGLBSA-N	-1	0	274.317	0.368	20	30		CCEDRM
C=C(C)C[C@@H](NC(=O)c1c[nH]c(C)cc1=O)C(=O)[O-]	ZINC000910291129	613356083	/nfs/dbraw/zinc/35/60/83/613356083.db2.gz	DPPOJKOVMDNHPC-SNVBAGLBSA-N	-1	0	264.281	0.833	20	30		CCEDRM
C=C(C)C[C@@H](NC(=O)c1cnn(CCOC)c1)C(=O)[O-]	ZINC000910294386	613356200	/nfs/dbraw/zinc/35/62/00/613356200.db2.gz	QKXDGPBBEVDAPH-LLVKDONJSA-N	-1	0	281.312	0.679	20	30		CCEDRM
C=C(C)C[C@H](NC(=O)CCCn1cncn1)C(=O)[O-]	ZINC000864188122	613358672	/nfs/dbraw/zinc/35/86/72/613358672.db2.gz	QOHQJYZCNCUAHV-JTQLQIEISA-N	-1	0	266.301	0.594	20	30		CCEDRM
C=C(C)C[C@H](NC(=O)NCCC(C)(C)O)C(=O)[O-]	ZINC000909068498	613358805	/nfs/dbraw/zinc/35/88/05/613358805.db2.gz	LXJALLRZAYQWBQ-VIFPVBQESA-N	-1	0	258.318	0.866	20	30		CCEDRM
C=C(C)C[C@H](NC(=O)c1cn(CC2CC2)nn1)C(=O)[O-]	ZINC000910292485	613359187	/nfs/dbraw/zinc/35/91/87/613359187.db2.gz	PRZHWSAAWYBWOO-JTQLQIEISA-N	-1	0	278.312	0.837	20	30		CCEDRM
C=C(C)C[C@H](NC(C)=O)C(=O)[N-]OC[C@@H]1CCOC1	ZINC000834290193	613359337	/nfs/dbraw/zinc/35/93/37/613359337.db2.gz	JKONNGCMUCFWLI-NEPJUHHUSA-N	-1	0	270.329	0.542	20	30		CCEDRM
C=C(C)C[C@H](NS(=O)(=O)[C@H](C)COC)C(=O)OCC	ZINC000882645337	613359951	/nfs/dbraw/zinc/35/99/51/613359951.db2.gz	ZONBPDKOBRYXAO-MNOVXSKESA-N	-1	0	293.385	0.839	20	30		CCEDRM
C=C(C)[C@@H](CC(=O)Nn1c(=O)[n-][nH]c1=O)OCC	ZINC000854611777	613360444	/nfs/dbraw/zinc/36/04/44/613360444.db2.gz	AEDVQVVWSFYFIZ-SSDOTTSWSA-N	-1	0	256.262	0.131	20	30		CCEDRM
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CCO[C@H](CC(=O)[O-])C1	ZINC000909272560	613361148	/nfs/dbraw/zinc/36/11/48/613361148.db2.gz	LAPIRLXGNAEYLP-MDZLAQPJSA-N	-1	0	283.324	0.670	20	30		CCEDRM
C=C(C)[C@H](CC(=O)N1CCC[C@H](O)[C@@H]1C(=O)[O-])OCC	ZINC000911637689	613362092	/nfs/dbraw/zinc/36/20/92/613362092.db2.gz	QRYNMLMBQRFBSW-GMXVVIOVSA-N	-1	0	285.340	0.794	20	30		CCEDRM
C=C(C)[C@H](CC(=O)[N-]S(=O)(=O)CCC#N)OCC	ZINC000835410143	613362269	/nfs/dbraw/zinc/36/22/69/613362269.db2.gz	FCZDLPDHXGCNGN-JTQLQIEISA-N	-1	0	274.342	0.717	20	30		CCEDRM
C=C(COC(=O)[C@@H]1COCCN1C(=O)[O-])C(=O)OCC	ZINC000823480723	613367513	/nfs/dbraw/zinc/36/75/13/613367513.db2.gz	MEXDTKWGFOIWKT-VIFPVBQESA-N	-1	0	287.268	0.028	20	30		CCEDRM
C=C(Cl)C[C@@H](NS(=O)(=O)N1CC[C@@H](C)C1)C(=O)[O-]	ZINC000863421141	613388782	/nfs/dbraw/zinc/38/87/82/613388782.db2.gz	VKAHRDBNKVTTCK-VXNVDRBHSA-N	-1	0	296.776	0.758	20	30		CCEDRM
C=C(Cl)C[C@H](NC(=O)c1csc(CO)n1)C(=O)[O-]	ZINC000910272302	613390812	/nfs/dbraw/zinc/39/08/12/613390812.db2.gz	UIVARCHMIQDOOT-LURJTMIESA-N	-1	0	290.728	0.961	20	30		CCEDRM
C=CCSCCNC(=O)C[C@H]1CN(C(=O)[O-])CCO1	ZINC000823516619	613395236	/nfs/dbraw/zinc/39/52/36/613395236.db2.gz	QBRKNEFJSPDLAV-JTQLQIEISA-N	-1	0	288.369	0.791	20	30		CCEDRM
C=CC[C@@H](CO)CNC(=O)NC1CCN(C(=O)[O-])CC1	ZINC000833369681	613401614	/nfs/dbraw/zinc/40/16/14/613401614.db2.gz	CRXTWLCGPFLRII-SNVBAGLBSA-N	-1	0	285.344	0.613	20	30		CCEDRM
C=CC[C@@H]1CCN(C(=O)C(=O)N2CC[C@](C)(C(=O)[O-])C2)C1	ZINC000863745630	613408163	/nfs/dbraw/zinc/40/81/63/613408163.db2.gz	AZXYGWIMWGZPFT-ABAIWWIYSA-N	-1	0	294.351	0.734	20	30		CCEDRM
C=CC[C@H](CO)CNS(=O)(=O)N=S(=O)(CC)CC	ZINC000867057368	613416148	/nfs/dbraw/zinc/41/61/48/613416148.db2.gz	NCCQJTPEPJNRAY-JTQLQIEISA-N	-1	0	298.430	0.513	20	30		CCEDRM
C=CC[C@H](NC(=O)COCC(=O)[O-])c1ccncc1	ZINC000844250533	613418746	/nfs/dbraw/zinc/41/87/46/613418746.db2.gz	LVJFQKCWWLEMBH-NSHDSACASA-N	-1	0	264.281	0.916	20	30		CCEDRM
C=CCn1c(C)nnc1SCC(=O)NCC(=O)[O-]	ZINC000819720285	613423979	/nfs/dbraw/zinc/42/39/79/613423979.db2.gz	SHZVAPFPGQGDJJ-UHFFFAOYSA-N	-1	0	270.314	0.065	20	30		CCEDRM
C=C[C@@H](C)O[N-]C(=O)C(=O)Nc1cc(C(=O)OC)n(C)c1	ZINC000846154066	613443308	/nfs/dbraw/zinc/44/33/08/613443308.db2.gz	NGDOKIPGLOFNHI-MRVPVSSYSA-N	-1	0	295.295	0.373	20	30		CCEDRM
C=CC(C)(C)C(=O)N[C@H](C)C(=O)N[C@H](C)C(=O)[O-]	ZINC000910749174	613444507	/nfs/dbraw/zinc/44/45/07/613444507.db2.gz	WIIRGWPKTHYHEM-HTQZYQBOSA-N	-1	0	256.302	0.293	20	30		CCEDRM
C=CC(C)(C)CC(=O)N1CCC[C@@H]1C(=O)NCC(=O)[O-]	ZINC000910754991	613444949	/nfs/dbraw/zinc/44/49/49/613444949.db2.gz	GERXDRXMKOPSCQ-SNVBAGLBSA-N	-1	0	282.340	0.781	20	30		CCEDRM
C=CC(C)(C)CC(=O)N1CCS(=O)(=O)C[C@H]1C(=O)[O-]	ZINC000901654003	613444976	/nfs/dbraw/zinc/44/49/76/613444976.db2.gz	WSDSYNMUTYRPAD-VIFPVBQESA-N	-1	0	289.353	0.299	20	30		CCEDRM
C=CC(C)(C)CC(=O)N1CCO[C@H](c2nnn[n-]2)C1	ZINC000900627457	613445285	/nfs/dbraw/zinc/44/52/85/613445285.db2.gz	XZPOVRSLNQFZBI-VIFPVBQESA-N	-1	0	265.317	0.702	20	30		CCEDRM
C=CC1(S(=O)(=O)[N-]C(=O)CCc2cnccn2)CC1	ZINC000870836553	613450341	/nfs/dbraw/zinc/45/03/41/613450341.db2.gz	FNNFTJQDVXKMHC-UHFFFAOYSA-N	-1	0	281.337	0.574	20	30		CCEDRM
C=CC1(S(=O)(=O)[N-]C(=O)CCCC(=O)NCC)CC1	ZINC000870834788	613450404	/nfs/dbraw/zinc/45/04/04/613450404.db2.gz	QGHYKQHJEXHWGM-UHFFFAOYSA-N	-1	0	288.369	0.457	20	30		CCEDRM
C=CC1(S(=O)(=O)[N-]C(=O)Cn2ccccc2=O)CC1	ZINC000870831291	613450782	/nfs/dbraw/zinc/45/07/82/613450782.db2.gz	UYQNJEPLIWAWNA-UHFFFAOYSA-N	-1	0	282.321	0.013	20	30		CCEDRM
C=C[C@@H](O)C(=O)NC[C@@](C)(C(=O)[O-])c1ccccc1	ZINC000909603056	613451690	/nfs/dbraw/zinc/45/16/90/613451690.db2.gz	XJGMEHXHENYMDZ-BXUZGUMPSA-N	-1	0	263.293	0.692	20	30		CCEDRM
C=CC1(S(=O)(=O)[N-]C(=O)c2cc(C)nn2CC)CC1	ZINC000870832664	613451874	/nfs/dbraw/zinc/45/18/74/613451874.db2.gz	NYDNRYBNSIWBHH-UHFFFAOYSA-N	-1	0	283.353	0.990	20	30		CCEDRM
C=CC1(S(=O)(=O)[N-]C(=O)c2cccnn2)CC1	ZINC000870839641	613451934	/nfs/dbraw/zinc/45/19/34/613451934.db2.gz	QCLZEIWUKMDGLR-UHFFFAOYSA-N	-1	0	253.283	0.255	20	30		CCEDRM
C=CCC(C)(C)C(=O)[N-]S(=O)(=O)CC(=O)OCC	ZINC000838846473	613452885	/nfs/dbraw/zinc/45/28/85/613452885.db2.gz	VETNMRCRJMPFRG-UHFFFAOYSA-N	-1	0	277.342	0.598	20	30		CCEDRM
C=CCC(F)(F)C(=O)[N-]c1nc2nc(C)cc(=O)n2[nH]1	ZINC000857622185	613455456	/nfs/dbraw/zinc/45/54/56/613455456.db2.gz	QWJFUSVGNHFUCJ-UHFFFAOYSA-N	-1	0	283.238	0.876	20	30		CCEDRM
C=C[C@@H]1CCCCN1C(=O)C(=O)NC[C@@H](CC)C(=O)[O-]	ZINC000927958917	613456085	/nfs/dbraw/zinc/45/60/85/613456085.db2.gz	FSFPQGITYJSWBE-GHMZBOCLSA-N	-1	0	282.340	0.781	20	30		CCEDRM
C=CCC1(C(=O)[O-])CN(S(=O)(=O)N(C)CC(C)C)C1	ZINC000906006661	613456904	/nfs/dbraw/zinc/45/69/04/613456904.db2.gz	CIOSGIOHZYUPNQ-UHFFFAOYSA-N	-1	0	290.385	0.782	20	30		CCEDRM
C=CCC1(S(=O)(=O)[N-]C(=O)c2cc3n(n2)CCC3)CC1	ZINC000835448424	613461163	/nfs/dbraw/zinc/46/11/63/613461163.db2.gz	FZBVBMVPEWDTIV-UHFFFAOYSA-N	-1	0	295.364	0.998	20	30		CCEDRM
C=CCC1(S(=O)(=O)[N-]C(=O)[C@]2(C)CCC(=O)N2)CC1	ZINC000873531214	613461327	/nfs/dbraw/zinc/46/13/27/613461327.db2.gz	LHWVSNXHBRDKIA-NSHDSACASA-N	-1	0	286.353	0.210	20	30		CCEDRM
C=CCCC(=O)Cn1cc(C(=O)[O-])cc(C#N)c1=O	ZINC000833373644	613461780	/nfs/dbraw/zinc/46/17/80/613461780.db2.gz	WAZGXKOARXVSRD-UHFFFAOYSA-N	-1	0	260.249	0.953	20	30		CCEDRM
C=CCCCC(=O)[N-]S(=O)(=O)[C@@H](C)[C@H](C)C(=O)OC	ZINC000802156447	613464808	/nfs/dbraw/zinc/46/48/08/613464808.db2.gz	GIKLMNLFSHLSRD-UWVGGRQHSA-N	-1	0	291.369	0.986	20	30		CCEDRM
C=CCCCC(=O)N[C@@H]1CCCCN(CC(=O)[O-])C1=O	ZINC000902431262	613465309	/nfs/dbraw/zinc/46/53/09/613465309.db2.gz	KEVIYWRCXBDGOF-LLVKDONJSA-N	-1	0	282.340	0.925	20	30		CCEDRM
C=CCCCNC(=O)N[C@](C)(Cn1cccn1)C(=O)[O-]	ZINC000900291008	613468235	/nfs/dbraw/zinc/46/82/35/613468235.db2.gz	LIIAJQWYRVLVHA-CYBMUJFWSA-N	-1	0	280.328	0.992	20	30		CCEDRM
C=CCCC[C@@H](NC(=O)C1(CO)CCOCC1)C(=O)[O-]	ZINC000910916867	613470245	/nfs/dbraw/zinc/47/02/45/613470245.db2.gz	KCBSHUBEZQPHSB-LLVKDONJSA-N	-1	0	285.340	0.701	20	30		CCEDRM
C=CCCC[C@H](C)NC(=O)C(=O)[N-]OCCOC	ZINC000806622732	613472487	/nfs/dbraw/zinc/47/24/87/613472487.db2.gz	UDBOUGPHZIUFME-JTQLQIEISA-N	-1	0	258.318	0.542	20	30		CCEDRM
C=C[C@@](C)(CC)C(=O)N1CCC(O)(c2nnn[n-]2)CC1	ZINC000907944009	613472631	/nfs/dbraw/zinc/47/26/31/613472631.db2.gz	PVIIBFUAJUDCEC-LBPRGKRZSA-N	-1	0	279.344	0.612	20	30		CCEDRM
C=CCCC[C@H](NC(=O)c1cccc(=O)n1C)C(=O)[O-]	ZINC000910913093	613474218	/nfs/dbraw/zinc/47/42/18/613474218.db2.gz	RURLJFNPVKVPFM-JTQLQIEISA-N	-1	0	278.308	0.925	20	30		CCEDRM
C=CCCN1C(=O)NC2(CCN(C(=O)[O-])CC2)C1=O	ZINC000823497017	613476857	/nfs/dbraw/zinc/47/68/57/613476857.db2.gz	UQRGNSZAGCOWOD-UHFFFAOYSA-N	-1	0	267.285	0.627	20	30		CCEDRM
C=C[C@@](C)(CCOC)C(=O)N1CC[C@](OC)(C(=O)[O-])C1	ZINC000910216188	613477009	/nfs/dbraw/zinc/47/70/09/613477009.db2.gz	DDLIMDICRPOXIZ-UONOGXRCSA-N	-1	0	285.340	0.917	20	30		CCEDRM
C=C[C@@](C)(CCOC)C(=O)[N-]S(=O)(=O)CC#CC	ZINC000810775692	613477012	/nfs/dbraw/zinc/47/70/12/613477012.db2.gz	QEYRQQGYZJOWHH-LBPRGKRZSA-N	-1	0	273.354	0.685	20	30		CCEDRM
C=C[C@H](C)NC(=O)C(=O)Nc1ccc(NC(=O)[O-])nc1	ZINC000823486206	613482622	/nfs/dbraw/zinc/48/26/22/613482622.db2.gz	RLXMQGPISWWXNT-ZETCQYMHSA-N	-1	0	278.268	0.801	20	30		CCEDRM
C=C[C@H](C)O[N-]C(=O)CN(C)S(=O)(=O)c1cccnc1	ZINC000846550385	613484097	/nfs/dbraw/zinc/48/40/97/613484097.db2.gz	ORWGGLXZVGQVLS-JTQLQIEISA-N	-1	0	299.352	0.324	20	30		CCEDRM
C=C[C@H](C)O[N-]C(=O)[C@H](C)N1C(=O)NC2(CCCC2)C1=O	ZINC000846549166	613488306	/nfs/dbraw/zinc/48/83/06/613488306.db2.gz	IGSHWZYLISPVFL-UWVGGRQHSA-N	-1	0	295.339	0.862	20	30		CCEDRM
C=C[C@H](CCC(=O)[O-])NS(=O)(=O)[C@H]1CCOC1	ZINC000871741761	613489828	/nfs/dbraw/zinc/48/98/28/613489828.db2.gz	DJKZUDKHOIPAAS-BDAKNGLRSA-N	-1	0	263.315	0.114	20	30		CCEDRM
C=C[C@H](O)C(=O)N1Cc2ccccc2C[C@@H]1C(=O)[O-]	ZINC000908895591	613495472	/nfs/dbraw/zinc/49/54/72/613495472.db2.gz	GTQINZZHQUJALR-NEPJUHHUSA-N	-1	0	261.277	0.571	20	30		CCEDRM
C=C[C@H](O)C(=O)N[C@H](C(=O)[O-])[C@H]1CCC[C@@H](OC)C1	ZINC000909911971	613497533	/nfs/dbraw/zinc/49/75/33/613497533.db2.gz	FOOCWYUWTGNVAH-VLEAKVRGSA-N	-1	0	271.313	0.308	20	30		CCEDRM
C=C[C@H](O)C(=O)OCC([O-])=C(C#N)c1nc(C)cs1	ZINC000814549865	613498719	/nfs/dbraw/zinc/49/87/19/613498719.db2.gz	NVBAXJGDYYKIFZ-BDAKNGLRSA-N	-1	0	280.305	0.718	20	30		CCEDRM
C=C[C@](C)(CCOC)C(=O)N1C[C@@H](C)O[C@@H](C(=O)[O-])C1	ZINC000909896298	613505584	/nfs/dbraw/zinc/50/55/84/613505584.db2.gz	NINQFYDFQYOYTC-JTNHKYCSSA-N	-1	0	285.340	0.916	20	30		CCEDRM
C=CCCOCC(=O)N[C@@H](C[C@@H]1CCCO1)C(=O)[O-]	ZINC000910583882	613572917	/nfs/dbraw/zinc/57/29/17/613572917.db2.gz	DAELQFICTMMQGU-QWRGUYRKSA-N	-1	0	271.313	0.718	20	30		CCEDRM
C=CCC[C@@H](O)CN1Cc2nnc(C)n2C[C@H]1C(=O)[O-]	ZINC000923243425	613586450	/nfs/dbraw/zinc/58/64/50/613586450.db2.gz	GYJUEYVHWRQSCI-MNOVXSKESA-N	-1	0	280.328	0.182	20	30		CCEDRM
C=CCC[C@H](NC(=O)/C=C(\C)CN1CCOCC1)C(=O)[O-]	ZINC000909713791	613589478	/nfs/dbraw/zinc/58/94/78/613589478.db2.gz	SAJWWDZZIAZWEF-XSNHNAGMSA-N	-1	0	296.367	0.801	20	30		CCEDRM
C=CCC[C@H](NS(=O)(=O)N(C)[C@H](C)CC#N)C(=O)[O-]	ZINC000844787171	613590359	/nfs/dbraw/zinc/59/03/59/613590359.db2.gz	SUASZKQRWVVIJT-ZJUUUORDSA-N	-1	0	289.357	0.474	20	30		CCEDRM
CC#CCS(=O)(=O)[N-]C(=O)[C@@H]1CCC[C@@H](OC)C1	ZINC000816056479	613646625	/nfs/dbraw/zinc/64/66/25/613646625.db2.gz	UQQFCTCXOAYCGP-GHMZBOCLSA-N	-1	0	273.354	0.661	20	30		CCEDRM
C=CCN(CC(=O)[O-])C(=O)N[C@H]1CCc2[nH]cnc2C1	ZINC000909020887	613643358	/nfs/dbraw/zinc/64/33/58/613643358.db2.gz	RPUTUGLUJHTFOT-VIFPVBQESA-N	-1	0	278.312	0.549	20	30		CCEDRM
C=CCN(CC(=O)[O-])C(=O)c1ccnc2c1nnn2C	ZINC000864135214	613643706	/nfs/dbraw/zinc/64/37/06/613643706.db2.gz	JWGYQZYVFUUSAR-UHFFFAOYSA-N	-1	0	275.268	0.076	20	30		CCEDRM
CC#CCOC(=O)C(C)(C)N1CCN(C(=O)[O-])CC1	ZINC000823522056	613645025	/nfs/dbraw/zinc/64/50/25/613645025.db2.gz	QKVBUMJZQQUPMK-UHFFFAOYSA-N	-1	0	268.313	0.627	20	30		CCEDRM
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CC#CCS(=O)(=O)[N-]C(=O)COc1ccccc1OC	ZINC000810778602	613645894	/nfs/dbraw/zinc/64/58/94/613645894.db2.gz	FONNXXZMZZSPCB-UHFFFAOYSA-N	-1	0	297.332	0.543	20	30		CCEDRM
CC#CCS(=O)(=O)[N-]C(=O)C[C@H](C)n1cccn1	ZINC000820894767	613646133	/nfs/dbraw/zinc/64/61/33/613646133.db2.gz	FIRHDFNIFORRJI-JTQLQIEISA-N	-1	0	269.326	0.304	20	30		CCEDRM
CC#CCS(=O)(=O)[N-]C(=O)Cc1ccc(OC)cc1	ZINC000791111778	613646169	/nfs/dbraw/zinc/64/61/69/613646169.db2.gz	ZBNKTLVTBFJKPI-UHFFFAOYSA-N	-1	0	281.333	0.707	20	30		CCEDRM
CC#CCS(=O)(=O)[N-]C(=O)[C@@H]1CCOC[C@@H]1C	ZINC000810773927	613646535	/nfs/dbraw/zinc/64/65/35/613646535.db2.gz	PLHQAAHEORMWFO-VHSXEESVSA-N	-1	0	259.327	0.128	20	30		CCEDRM
CC#CCS(=O)(=O)[N-]C(=O)[C@@H]1C[C@@H](C)O[C@@H]1C	ZINC000870329382	613646689	/nfs/dbraw/zinc/64/66/89/613646689.db2.gz	DROBGOFGNIALAU-OPRDCNLKSA-N	-1	0	259.327	0.269	20	30		CCEDRM
C=CCN(CC=C)C(=O)COC(=O)C=C1CN(C(=O)[O-])C1	ZINC000833788161	613646909	/nfs/dbraw/zinc/64/69/09/613646909.db2.gz	OZJFZYVUHYFPBH-UHFFFAOYSA-N	-1	0	294.307	0.650	20	30		CCEDRM
CC#CCS(=O)(=O)[N-]C(=O)[C@H](OC)[C@H](C)CC	ZINC000810769711	613647128	/nfs/dbraw/zinc/64/71/28/613647128.db2.gz	DJMHGFZXBQWXNB-NXEZZACHSA-N	-1	0	261.343	0.517	20	30		CCEDRM
CC#CCS(=O)(=O)[N-]C(=O)c1c(C)nc2sccn21	ZINC000860720860	613647459	/nfs/dbraw/zinc/64/74/59/613647459.db2.gz	PVKHVHJYTGDJSK-UHFFFAOYSA-N	-1	0	297.361	0.787	20	30		CCEDRM
CC#CCS(=O)(=O)[N-]C(=O)c1ccc(OC)cc1	ZINC000791111156	613647614	/nfs/dbraw/zinc/64/76/14/613647614.db2.gz	OTRNXPZPJQQYPS-UHFFFAOYSA-N	-1	0	267.306	0.778	20	30		CCEDRM
CC#CCS(=O)(=O)[N-]C(=O)c1cnn(CC2CC2)c1	ZINC000870330243	613648023	/nfs/dbraw/zinc/64/80/23/613648023.db2.gz	BEGRQTRWPADHJE-UHFFFAOYSA-N	-1	0	281.337	0.376	20	30		CCEDRM
C=CCN(CN1C[C@H]2CN(C(=O)[O-])CCN2C1=O)C(C)C	ZINC000823500260	613651241	/nfs/dbraw/zinc/65/12/41/613651241.db2.gz	DKTMOSDBQZOFKB-GFCCVEGCSA-N	-1	0	296.371	0.940	20	30		CCEDRM
CC(=NNCCC(=O)[O-])c1ccc(-n2cnnn2)cc1	ZINC000819726419	613655166	/nfs/dbraw/zinc/65/51/66/613655166.db2.gz	IHHCXWIXSUULMI-UHFFFAOYSA-N	-1	0	274.284	0.451	20	30		CCEDRM
CC(=O)NC[C@@H]1CCCN(C(=O)[C@@](C)(C#N)CC(=O)[O-])C1	ZINC000819737479	613755742	/nfs/dbraw/zinc/75/57/42/613755742.db2.gz	SKMHJQBFHWURCZ-SMDDNHRTSA-N	-1	0	295.339	0.366	20	30		CCEDRM
C=CCNC(=O)CNC(=O)c1[nH]c(CC)c(C(=O)[O-])c1C	ZINC000833376810	613846887	/nfs/dbraw/zinc/84/68/87/613846887.db2.gz	RAZQOQPMSCWPSH-UHFFFAOYSA-N	-1	0	293.323	0.616	20	30		CCEDRM
C=CCNC(=O)CNC(=O)c1ccc(C(=O)[O-])c(F)c1	ZINC000833376883	613846989	/nfs/dbraw/zinc/84/69/89/613846989.db2.gz	TZPSPRRNYAOZGT-UHFFFAOYSA-N	-1	0	280.255	0.556	20	30		CCEDRM
C=CCNC(=O)COC(=O)C1CCC(C(=O)[O-])CC1	ZINC000833376730	613847406	/nfs/dbraw/zinc/84/74/06/613847406.db2.gz	QRGRALHYBOUVSC-UHFFFAOYSA-N	-1	0	269.297	0.723	20	30		CCEDRM
C=CCNC(=O)COC(=O)C[C@@H]1CCCN1C(=O)[O-]	ZINC000823506260	613847740	/nfs/dbraw/zinc/84/77/40/613847740.db2.gz	FEPABTKDMCNZMH-VIFPVBQESA-N	-1	0	270.285	0.364	20	30		CCEDRM
C=CCNC(=O)[C@@H](C)N1CC[C@H](N(C)C(=O)[O-])C1	ZINC000823507358	613853336	/nfs/dbraw/zinc/85/33/36/613853336.db2.gz	WCQUICGIEAIWPS-ZJUUUORDSA-N	-1	0	255.318	0.361	20	30		CCEDRM
C=CCNC(=O)[C@H](C#N)C(=O)[C@H]1CCC[C@@H](C(=O)[O-])C1	ZINC000825687522	613854806	/nfs/dbraw/zinc/85/48/06/613854806.db2.gz	NXGABMRQTKLFAF-HBNTYKKESA-N	-1	0	278.308	0.888	20	30		CCEDRM
C=CCNC(=O)[C@H](C)N1CCO[C@H]([C@@H](C)NC(=O)[O-])C1	ZINC000823507479	613855248	/nfs/dbraw/zinc/85/52/48/613855248.db2.gz	YZOJGTZWCRPKJW-VWYCJHECSA-N	-1	0	285.344	0.034	20	30		CCEDRM
C=CCOCC(=O)N1CC[C@H](C(=O)[O-])C[C@H]1C(=O)OC	ZINC000833375547	613879200	/nfs/dbraw/zinc/87/92/00/613879200.db2.gz	DVNDJOKWUIGBQH-UWVGGRQHSA-N	-1	0	285.296	0.054	20	30		CCEDRM
C=CCOCC(=O)N[C@H](C[C@@H]1CCCO1)C(=O)[O-]	ZINC000910589167	613879502	/nfs/dbraw/zinc/87/95/02/613879502.db2.gz	BRRSTJWVJLPCIH-VHSXEESVSA-N	-1	0	257.286	0.328	20	30		CCEDRM
C=CCOCCNC(=O)N[C@@H](CSC)C(=O)[O-]	ZINC000905539619	613880992	/nfs/dbraw/zinc/88/09/92/613880992.db2.gz	SAYJFABIOCQRMU-QMMMGPOBSA-N	-1	0	262.331	0.304	20	30		CCEDRM
C=CCOC[C@@H](NC(=O)C[C@@H](C)n1ccc(C)n1)C(=O)[O-]	ZINC000909771499	613881682	/nfs/dbraw/zinc/88/16/82/613881682.db2.gz	NQANQQAIUBADMN-VXGBXAGGSA-N	-1	0	295.339	0.915	20	30		CCEDRM
C=CCOC[C@@H](NC(=O)[C@H](O)C1CCCCC1)C(=O)[O-]	ZINC000909769503	613881827	/nfs/dbraw/zinc/88/18/27/613881827.db2.gz	CTDOFKIYLCDWBF-VXGBXAGGSA-N	-1	0	285.340	0.700	20	30		CCEDRM
C=CCOC[C@@H](NC(=O)c1cccnc1N(C)C)C(=O)[O-]	ZINC000909769517	613881930	/nfs/dbraw/zinc/88/19/30/613881930.db2.gz	CWIYRCAWDYNQHJ-LLVKDONJSA-N	-1	0	293.323	0.533	20	30		CCEDRM
C=CCOC[C@H](NC(=O)C1(C#N)CCC1)C(=O)[O-]	ZINC000923079259	613882203	/nfs/dbraw/zinc/88/22/03/613882203.db2.gz	PLPSZSKUMLCYRN-VIFPVBQESA-N	-1	0	252.270	0.452	20	30		CCEDRM
C=CCOC[C@H](NC(=O)C1(C#N)CC2(CC2)C1)C(=O)[O-]	ZINC000923078443	613882233	/nfs/dbraw/zinc/88/22/33/613882233.db2.gz	IASXAJPBVSSAET-JTQLQIEISA-N	-1	0	278.308	0.842	20	30		CCEDRM
C=CCOC[C@H](NC(=O)C(C)(C)COC)C(=O)[O-]	ZINC000909771780	613882255	/nfs/dbraw/zinc/88/22/55/613882255.db2.gz	PZKQDHZPGFWODN-VIFPVBQESA-N	-1	0	259.302	0.431	20	30		CCEDRM
C=CCOC[C@H](NC(=O)C1(c2ccccn2)CC1)C(=O)[O-]	ZINC000909766411	613882260	/nfs/dbraw/zinc/88/22/60/613882260.db2.gz	IQJGPWVCYAHTPG-NSHDSACASA-N	-1	0	290.319	0.885	20	30		CCEDRM
C=CCOC[C@H](NC(=O)C[C@H](C)n1cccn1)C(=O)[O-]	ZINC000909765259	613882347	/nfs/dbraw/zinc/88/23/47/613882347.db2.gz	AXFKNQCGUSMTFR-QWRGUYRKSA-N	-1	0	281.312	0.606	20	30		CCEDRM
C=CCOC[C@H](NC(=O)[C@H](C)Oc1ccccn1)C(=O)[O-]	ZINC000909769167	613882551	/nfs/dbraw/zinc/88/25/51/613882551.db2.gz	BLQPFPJPGLRDPP-QWRGUYRKSA-N	-1	0	294.307	0.621	20	30		CCEDRM
C=CCOC[C@H](NC(=O)[C@@H]1C[C@@]12CCOC2)C(=O)[O-]	ZINC000909769168	613882594	/nfs/dbraw/zinc/88/25/94/613882594.db2.gz	XPSGRRRZTLBCCS-OUJBWJOFSA-N	-1	0	269.297	0.185	20	30		CCEDRM
C=CCOC[C@H](NC(=O)c1cc[nH]c1CC)C(=O)[O-]	ZINC000909769469	613882677	/nfs/dbraw/zinc/88/26/77/613882677.db2.gz	ZABFBTDYSHKDOF-NSHDSACASA-N	-1	0	266.297	0.963	20	30		CCEDRM
C=CCO[N-]C(=O)CN1C(=O)N[C@]2(CCCC[C@@H]2C)C1=O	ZINC000837043491	613883134	/nfs/dbraw/zinc/88/31/34/613883134.db2.gz	AWFIWVTTWQNUKB-HZMBPMFUSA-N	-1	0	295.339	0.721	20	30		CCEDRM
C=CCOc1ccc(CC(=O)[N-]S(C)(=O)=O)cc1	ZINC000835031281	613884732	/nfs/dbraw/zinc/88/47/32/613884732.db2.gz	OXMPMQIKIPUINW-UHFFFAOYSA-N	-1	0	269.322	0.870	20	30		CCEDRM
C=CCS(=O)(=O)[N-]C(=O)CCc1ncccn1	ZINC000813079393	613886119	/nfs/dbraw/zinc/88/61/19/613886119.db2.gz	KJFOXNYPLHWMNF-UHFFFAOYSA-N	-1	0	255.299	0.041	20	30		CCEDRM
C=CCS(=O)(=O)[N-]C(=O)CCCOC1CCOCC1	ZINC000870257712	613886155	/nfs/dbraw/zinc/88/61/55/613886155.db2.gz	XRBSWLCIKYBQEQ-UHFFFAOYSA-N	-1	0	291.369	0.594	20	30		CCEDRM
C=CCS(=O)(=O)[N-]C(=O)c1ccc2nnn(C)c2c1	ZINC000755761119	613886293	/nfs/dbraw/zinc/88/62/93/613886293.db2.gz	YGDBSDGANKUTPQ-UHFFFAOYSA-N	-1	0	280.309	0.214	20	30		CCEDRM
C=CCS(=O)(=O)[N-]C(=O)c1cc2n(n1)CCCC2	ZINC000835252885	613886346	/nfs/dbraw/zinc/88/63/46/613886346.db2.gz	DSDDYCSVNWIMKZ-UHFFFAOYSA-N	-1	0	269.326	0.465	20	30		CCEDRM
CC(C)NC(=O)C(C#N)=C([O-])c1cc([N+](=O)[O-])cn1C	ZINC000916947297	613930505	/nfs/dbraw/zinc/93/05/05/613930505.db2.gz	ZYIVLIQNYJDRLY-VIFPVBQESA-N	-1	0	278.268	0.780	20	30		CCEDRM
CC(C)(C)[C@@H](C#N)NC(=O)CN1CCC(NC(=O)[O-])CC1	ZINC000823760184	614020998	/nfs/dbraw/zinc/02/09/98/614020998.db2.gz	PXDNQRZJSRTYBD-LLVKDONJSA-N	-1	0	296.371	0.773	20	30		CCEDRM
CC(C)OC[C@@H](C(=O)[O-])N(C)S(=O)(=O)CCCC#N	ZINC000827022068	614026168	/nfs/dbraw/zinc/02/61/68/614026168.db2.gz	RETGTYOBDKTHDZ-JTQLQIEISA-N	-1	0	292.357	0.430	20	30		CCEDRM
CC(C)(C)n1cnc(NC(=O)[C@@](C)(C#N)CC(=O)[O-])n1	ZINC000819864761	614065242	/nfs/dbraw/zinc/06/52/42/614065242.db2.gz	DEYYEGXEEOMODW-GFCCVEGCSA-N	-1	0	279.300	0.976	20	30		CCEDRM
CC(C)S(=O)(=O)NN=Cc1ccccc1-c1nn[nH]n1	ZINC000824338192	614069366	/nfs/dbraw/zinc/06/93/66/614069366.db2.gz	SDZKOXHEEQTYIN-UHFFFAOYSA-N	-1	0	294.340	0.528	20	30		CCEDRM
CC(C)[C@@H](CO)O[N-]C(=O)[C@@]1(C#N)CCCOC1	ZINC000868728650	614104618	/nfs/dbraw/zinc/10/46/18/614104618.db2.gz	ZYAKYZPTNVMKPT-ZYHUDNBSSA-N	-1	0	256.302	0.371	20	30		CCEDRM
CC(C)(CNC(=O)[C@]1(C#N)CCCOC1)CC(=O)[O-]	ZINC000923102991	614107599	/nfs/dbraw/zinc/10/75/99/614107599.db2.gz	AVKZXMYQXVUTCW-ZDUSSCGKSA-N	-1	0	268.313	0.924	20	30		CCEDRM
CC(C)[C@@H](NS(=O)(=O)CC(C)(C)CC#N)C(=O)[O-]	ZINC000841774252	614128963	/nfs/dbraw/zinc/12/89/63/614128963.db2.gz	FRONFIMUXFJJED-SECBINFHSA-N	-1	0	276.358	0.955	20	30		CCEDRM
CC(C)Cn1[n-]c(CC(=O)N[C@@H](C)CC#N)cc1=O	ZINC000931155839	614236558	/nfs/dbraw/zinc/23/65/58/614236558.db2.gz	YYLGFCWPNDZUJA-JTQLQIEISA-N	-1	0	264.329	0.793	20	30		CCEDRM
CC(=O)c1c[nH]c(C(=O)N[C@@H]2CCCN(O)C2=O)c1	ZINC000816759000	614245979	/nfs/dbraw/zinc/24/59/79/614245979.db2.gz	CBDLYPACAVPKOB-SECBINFHSA-N	-1	0	265.269	0.327	20	30		CCEDRM
CC(=O)c1ccccc1NC(=O)CN(CC#N)CC(=O)[O-]	ZINC000825963922	614259016	/nfs/dbraw/zinc/25/90/16/614259016.db2.gz	KCASWYCSBBFWCG-UHFFFAOYSA-N	-1	0	289.291	0.738	20	30		CCEDRM
CC(C)(C#N)C(=O)NC[C@@]1(C(=O)[O-])CCCOC1	ZINC000923102847	614285021	/nfs/dbraw/zinc/28/50/21/614285021.db2.gz	YYOGNZUHWTZKCE-LBPRGKRZSA-N	-1	0	254.286	0.534	20	30		CCEDRM
CC(C)(C#N)CS(=O)(=O)N1CC[C@H]2[C@@H](C(=O)[O-])[C@H]2C1	ZINC000906000284	614286606	/nfs/dbraw/zinc/28/66/06/614286606.db2.gz	JHLNFENCISFUIR-KXUCPTDWSA-N	-1	0	286.353	0.518	20	30		CCEDRM
CC(C)(C#N)CS(=O)(=O)[N-]C(=O)[C@]1(C)CCOC1	ZINC000755809110	614287114	/nfs/dbraw/zinc/28/71/14/614287114.db2.gz	ISKJOERJYVGBLR-LLVKDONJSA-N	-1	0	274.342	0.409	20	30		CCEDRM
CC(C)n1ccc(C(=O)[N-]S(=O)(=O)CCC#N)n1	ZINC000821584165	614359928	/nfs/dbraw/zinc/35/99/28/614359928.db2.gz	SYFKIYONSUUUGC-UHFFFAOYSA-N	-1	0	270.314	0.437	20	30		CCEDRM
CCCCOCC(=O)[N-]S(=O)(=O)CC1(C#N)CC1	ZINC000793204786	614446044	/nfs/dbraw/zinc/44/60/44/614446044.db2.gz	LGRBCNUNMLEJTR-UHFFFAOYSA-N	-1	0	274.342	0.553	20	30		CCEDRM
CCCCS(=O)(=O)N1CCC(C#CC(=O)[O-])CC1	ZINC000844816972	614467220	/nfs/dbraw/zinc/46/72/20/614467220.db2.gz	NAUBDVONPXJGBH-UHFFFAOYSA-N	-1	0	273.354	0.916	20	30		CCEDRM
CC1(C(=O)[O-])CN(C(=O)C2(C#N)CCOCC2)C1	ZINC000910053685	614494800	/nfs/dbraw/zinc/49/48/00/614494800.db2.gz	HPSPQNGOUDVSLQ-UHFFFAOYSA-N	-1	0	252.270	0.240	20	30		CCEDRM
CCCn1nccc1/C=C\C(=O)c1cnc([O-])n(C)c1=O	ZINC000853004236	614545124	/nfs/dbraw/zinc/54/51/24/614545124.db2.gz	BNUXBXILHURPSX-PLNGDYQASA-N	-1	0	288.307	0.989	20	30		CCEDRM
CCCCCCCNC(=O)C(=O)NC[C@@H](C)C(=O)[O-]	ZINC000861723008	614902329	/nfs/dbraw/zinc/90/23/29/614902329.db2.gz	GMDVFRYUFZCUGP-SNVBAGLBSA-N	-1	0	272.345	0.910	20	30		CCEDRM
CCN(CC#N)C(=O)[C@@H]1[C@H](C)OC(C)(C)N1C(=O)[O-]	ZINC000833856642	614923119	/nfs/dbraw/zinc/92/31/19/614923119.db2.gz	OXXIBCHTADFPRE-IUCAKERBSA-N	-1	0	269.301	0.862	20	30		CCEDRM
CCC[C@@H](OC)C(=O)[N-]S(=O)(=O)CC1(C#N)CC1	ZINC000835293387	615007093	/nfs/dbraw/zinc/00/70/93/615007093.db2.gz	CZGCZDWJASADKZ-SECBINFHSA-N	-1	0	274.342	0.551	20	30		CCEDRM
CCN(CCC(=O)[O-])C(=O)[C@]1(C#N)CCCOC1	ZINC000923052104	615034872	/nfs/dbraw/zinc/03/48/72/615034872.db2.gz	MRLVLHZOYCRMQO-LBPRGKRZSA-N	-1	0	254.286	0.630	20	30		CCEDRM
CCC[C@H](C)N1C[C@@H](C(=O)N[C@H]2CCN(O)C2=O)CC1=O	ZINC000820157443	615038885	/nfs/dbraw/zinc/03/88/85/615038885.db2.gz	XEQSGZRGIXHAER-DCAQKATOSA-N	-1	0	297.355	0.130	20	30		CCEDRM
CCC[C@H](NC(=O)[O-])C(=O)NC[C@@H]1CCCN(CC#N)C1	ZINC000826752420	615044569	/nfs/dbraw/zinc/04/45/69/615044569.db2.gz	URCIUHWNNWQIHH-RYUDHWBXSA-N	-1	0	296.371	0.774	20	30		CCEDRM
CCN(CCO)N=Cc1cc([O-])ccc1[N+](=O)[O-]	ZINC000842538804	615055139	/nfs/dbraw/zinc/05/51/39/615055139.db2.gz	MMYSTEZMFCRZKW-UHFFFAOYSA-N	-1	0	253.258	0.949	20	30		CCEDRM
CCN(CCO)N=Cc1[nH]nc2cc(C(=O)[O-])ccc21	ZINC000842537277	615055484	/nfs/dbraw/zinc/05/54/84/615055484.db2.gz	UOSHQBUNCLYDGB-UHFFFAOYSA-N	-1	0	276.296	0.909	20	30		CCEDRM
CCN1c2ccc(C)cc2C(=NNCC(=O)[O-])C1=O	ZINC000814960046	615078438	/nfs/dbraw/zinc/07/84/38/615078438.db2.gz	JIQHHRLNHCLGOG-UHFFFAOYSA-N	-1	0	261.281	0.740	20	30		CCEDRM
CCOC(=O)/C=C/Cn1cc(C(=O)[O-])cc(C#N)c1=O	ZINC000829837502	615145823	/nfs/dbraw/zinc/14/58/23/615145823.db2.gz	HINFMHIXRRRYKP-ONEGZZNKSA-N	-1	0	276.248	0.537	20	30		CCEDRM
CCOC(C)(C)C(=O)[N-]S(=O)(=O)CC(C)(C)C#N	ZINC000870270878	615197241	/nfs/dbraw/zinc/19/72/41/615197241.db2.gz	MRWPLTRHJMSURV-UHFFFAOYSA-N	-1	0	276.358	0.797	20	30		CCEDRM
CCOCCC(=O)N1CCN(C(=O)[O-])C[C@@H]1C#N	ZINC000827393807	615235590	/nfs/dbraw/zinc/23/55/90/615235590.db2.gz	FXGLNRJZRUAWKM-VIFPVBQESA-N	-1	0	255.274	0.127	20	30		CCEDRM
CCS(=O)(CC)=NS(=O)(=O)[N-]C1(C#N)CC1	ZINC000903102248	615357178	/nfs/dbraw/zinc/35/71/78/615357178.db2.gz	MNCCJKXAYFQPDU-UHFFFAOYSA-N	-1	0	265.360	0.385	20	30		CCEDRM
CCO[N-]C(=O)CNC(=O)Nc1cccc(CC#N)c1	ZINC000844698967	615367718	/nfs/dbraw/zinc/36/77/18/615367718.db2.gz	AIKPNMIXZXGFMN-UHFFFAOYSA-N	-1	0	276.296	0.942	20	30		CCEDRM
CCO[N-]C(=O)CNC(=O)Nc1ccc(F)cc1C#N	ZINC000844563788	615367749	/nfs/dbraw/zinc/36/77/49/615367749.db2.gz	YFVFXJSCSUVEJU-UHFFFAOYSA-N	-1	0	280.259	0.887	20	30		CCEDRM
CCOC(=O)c1[nH]c(C)c(C=NNCC(=O)[O-])c1C	ZINC000863117533	615397752	/nfs/dbraw/zinc/39/77/52/615397752.db2.gz	VWQDEWDPAAOBBM-UHFFFAOYSA-N	-1	0	267.285	0.816	20	30		CCEDRM
CCOc1nnc(COC(=O)[C@@](C)(C#N)CC(=O)[O-])s1	ZINC000820391709	615527395	/nfs/dbraw/zinc/52/73/95/615527395.db2.gz	ILQJBZOZSNMHGE-LLVKDONJSA-N	-1	0	299.308	0.985	20	30		CCEDRM
CC[C@@H](NN=C1CNC(=O)c2ccccc21)C(=O)[O-]	ZINC000817328796	615536079	/nfs/dbraw/zinc/53/60/79/615536079.db2.gz	OAXFZXTWNGZUKO-SNVBAGLBSA-N	-1	0	261.281	0.587	20	30		CCEDRM
CC[C@@]1(C)NC(=O)N([N-]C(=O)c2sccc2C#N)C1=O	ZINC000813547626	615598309	/nfs/dbraw/zinc/59/83/09/615598309.db2.gz	RPJDDXZXPLTURK-GFCCVEGCSA-N	-1	0	292.320	0.985	20	30		CCEDRM
CC[C@H](C#N)OC(=O)c1ccc(-c2nn[nH]n2)cn1	ZINC000820843109	615600149	/nfs/dbraw/zinc/60/01/49/615600149.db2.gz	TVIPHVFTOGBFJZ-MRVPVSSYSA-N	-1	0	258.241	0.721	20	30		CCEDRM
CCc1cc(CNC(=O)[C@](C)(C#N)CC(=O)[O-])[nH]n1	ZINC000820474095	615650330	/nfs/dbraw/zinc/65/03/30/615650330.db2.gz	JHWLPSMJLWZXDK-LBPRGKRZSA-N	-1	0	264.285	0.593	20	30		CCEDRM
CC[C@H](C)[C@H](NC(=O)CN(CC)CCC#N)C(=O)[O-]	ZINC000828707239	615691994	/nfs/dbraw/zinc/69/19/94/615691994.db2.gz	DVOUJWCKLASCQY-JQWIXIFHSA-N	-1	0	269.345	0.837	20	30		CCEDRM
CC[C@H](CC#N)NS(=O)(=O)N=S(C)(C)=O	ZINC000867108292	615704928	/nfs/dbraw/zinc/70/49/28/615704928.db2.gz	LVJDBEFOBCNAEI-SSDOTTSWSA-N	-1	0	253.349	0.241	20	30		CCEDRM
CC[C@H](CNS(=O)(=O)CC1(CC#N)CC1)C(=O)[O-]	ZINC000844784995	615726663	/nfs/dbraw/zinc/72/66/63/615726663.db2.gz	LEHVOFZDGBVXHW-SECBINFHSA-N	-1	0	274.342	0.710	20	30		CCEDRM
CCc1nc(C([O-])=C(C#N)C(=O)NC)nn1-c1ccccc1	ZINC000735594312	615731257	/nfs/dbraw/zinc/73/12/57/615731257.db2.gz	XETGBGZUNNPKQO-LLVKDONJSA-N	-1	0	297.318	0.898	20	30		CCEDRM
CCn1ncn([N-]C(=O)c2ncc(C#N)cc2C)c1=O	ZINC000854627928	615734418	/nfs/dbraw/zinc/73/44/18/615734418.db2.gz	QRFLXWVVIJGFEW-UHFFFAOYSA-N	-1	0	272.268	0.024	20	30		CCEDRM
CCc1nc(COC(=O)[C@@](C)(C#N)CC(=O)[O-])no1	ZINC000820493052	615749128	/nfs/dbraw/zinc/74/91/28/615749128.db2.gz	YSOVBRPYVADAQU-LLVKDONJSA-N	-1	0	267.241	0.680	20	30		CCEDRM
CN(C(=O)COC(=O)C1(NC(=O)[O-])CC1)C(C)(C)C#N	ZINC000827776102	615816908	/nfs/dbraw/zinc/81/69/08/615816908.db2.gz	XXVZQZRDUUIJMJ-UHFFFAOYSA-N	-1	0	283.284	0.090	20	30		CCEDRM
CC[C@H](NN=Cc1cn(C)nc1Br)C(=O)[O-]	ZINC000863114618	615819926	/nfs/dbraw/zinc/81/99/26/615819926.db2.gz	OTJJYGYYEVOLOA-ZETCQYMHSA-N	-1	0	289.133	0.969	20	30		CCEDRM
CC[C@H](NN=Cc1cc(C(=O)OC)no1)C(=O)[O-]	ZINC000814937882	615819959	/nfs/dbraw/zinc/81/99/59/615819959.db2.gz	RBNBLLHNZBVLNW-ZETCQYMHSA-N	-1	0	255.230	0.248	20	30		CCEDRM
CC[C@H](O)CNN=Cc1ccccc1OCC(=O)[O-]	ZINC000811655940	615830057	/nfs/dbraw/zinc/83/00/57/615830057.db2.gz	YPVVGEYREYJOCY-NSHDSACASA-N	-1	0	266.297	0.844	20	30		CCEDRM
CN(C(=O)[O-])[C@@H]1CCN(S(=O)(=O)CCCC#N)C1	ZINC000827895673	615844634	/nfs/dbraw/zinc/84/46/34/615844634.db2.gz	PTOAGOFSAXWOGG-SECBINFHSA-N	-1	0	275.330	0.304	20	30		CCEDRM
CN(C(=O)[O-])[C@H]1CCN(S(=O)(=O)CCCC#N)C1	ZINC000827895674	615845808	/nfs/dbraw/zinc/84/58/08/615845808.db2.gz	PTOAGOFSAXWOGG-VIFPVBQESA-N	-1	0	275.330	0.304	20	30		CCEDRM
CCc1ocnc1C(=O)[N-]S(=O)(=O)CCC#N	ZINC000821583867	615882190	/nfs/dbraw/zinc/88/21/90/615882190.db2.gz	JZZPKTRMOMKOTL-UHFFFAOYSA-N	-1	0	257.271	0.210	20	30		CCEDRM
CN(C(=O)c1cc(C#N)c[nH]1)[C@H]1CCN(C(=O)[O-])C1	ZINC000827928369	615893982	/nfs/dbraw/zinc/89/39/82/615893982.db2.gz	ZJAJIVSDZSOOIH-VIFPVBQESA-N	-1	0	262.269	0.711	20	30		CCEDRM
CC[S@](=O)CCNS(=O)(=O)c1ccc(C#N)o1	ZINC000804994557	616017180	/nfs/dbraw/zinc/01/71/80/616017180.db2.gz	QGKPIQZZZFHRBF-INIZCTEOSA-N	-1	0	276.339	0.198	20	30		CCEDRM
CCn1ccc(CC(=O)[N-]S(=O)(=O)CC2(C#N)CC2)n1	ZINC000845511877	616026935	/nfs/dbraw/zinc/02/69/35/616026935.db2.gz	UUAJNBQEPUEUTO-UHFFFAOYSA-N	-1	0	296.352	0.195	20	30		CCEDRM
CN(CC#N)S(=O)(=O)Cc1cccc(C(=O)[O-])c1	ZINC000833690742	616039998	/nfs/dbraw/zinc/03/99/98/616039998.db2.gz	CEVRVVPQMOYLHF-UHFFFAOYSA-N	-1	0	268.294	0.670	20	30		CCEDRM
CN(CC(=O)[O-])[C@H]1CCN(c2sccc2C#N)C1=O	ZINC000820569200	616050082	/nfs/dbraw/zinc/05/00/82/616050082.db2.gz	OIVMKRNHHDIBDT-VIFPVBQESA-N	-1	0	279.321	0.741	20	30		CCEDRM
CN(CCCC(=O)[O-])C(=O)[C@@]1(C#N)CCCOC1	ZINC000923043182	616072057	/nfs/dbraw/zinc/07/20/57/616072057.db2.gz	IFRXEAJVPCDTKK-GFCCVEGCSA-N	-1	0	254.286	0.630	20	30		CCEDRM
CN(CCN1CCCC1=O)C(=O)[C@@](C)(C#N)CC(=O)[O-]	ZINC000820597412	616086263	/nfs/dbraw/zinc/08/62/63/616086263.db2.gz	QOCQLLUIQUKIEM-CYBMUJFWSA-N	-1	0	281.312	0.072	20	30		CCEDRM
CN1C(=O)CC[C@@H](/N=C\c2cc([N+](=O)[O-])ccc2[O-])C1=O	ZINC000818995115	616126428	/nfs/dbraw/zinc/12/64/28/616126428.db2.gz	PWJKKPDEYWNSMT-QOUOVQQFSA-N	-1	0	291.263	0.867	20	30		CCEDRM
COC(=O)[C@@H]1CCCN(C(=O)[C@](C)(C#N)CC(=O)[O-])C1	ZINC000820660991	616288764	/nfs/dbraw/zinc/28/87/64/616288764.db2.gz	QHRVZDGESFODKF-RNCFNFMXSA-N	-1	0	282.296	0.403	20	30		CCEDRM
COC(=O)[C@@H]1C[C@@H]1C/N=C/c1c(CO)cnc(C)c1O	ZINC000887272881	616436258	/nfs/dbraw/zinc/43/62/58/616436258.db2.gz	XSVHLNWMBONEIZ-YHSFBCBSSA-N	-1	0	278.308	0.816	20	30		CCEDRM
COCCNC(=O)C(C#N)=C([O-])c1ocnc1C1CC1	ZINC000808979817	616496523	/nfs/dbraw/zinc/49/65/23/616496523.db2.gz	NHAPWEQDUYHUCK-SECBINFHSA-N	-1	0	277.280	0.637	20	30		CCEDRM
COCCNC(=O)C(C#N)=C([O-])c1ncc2n1CCCC2	ZINC000870135951	616496648	/nfs/dbraw/zinc/49/66/48/616496648.db2.gz	FTMDPUDEQMEABS-LLVKDONJSA-N	-1	0	290.323	0.304	20	30		CCEDRM
COCC(COC)NN=Cc1ccc(OCC(=O)[O-])cc1	ZINC000863196617	616736478	/nfs/dbraw/zinc/73/64/78/616736478.db2.gz	PJNBJHUOGGGUTL-UHFFFAOYSA-N	-1	0	296.323	0.735	20	30		CCEDRM
COC[C@](C)(C#N)NC(=O)[C@@H]1CCC[C@@H](C(=O)[O-])C1	ZINC000831541091	616817167	/nfs/dbraw/zinc/81/71/67/616817167.db2.gz	MFSMUCOSLXXQLW-BREBYQMCSA-N	-1	0	268.313	0.922	20	30		CCEDRM
COC[C@](C)(C#N)NC(=O)[C@H]1CC[C@@H](NC(=O)[O-])C1	ZINC000828886423	616817435	/nfs/dbraw/zinc/81/74/35/616817435.db2.gz	VNSLAGMXERSPTK-SBMIAAHKSA-N	-1	0	269.301	0.468	20	30		CCEDRM
COC[C@](C)(C#N)NC(=O)[C@@H]1CCCN(C(=O)[O-])C1	ZINC000828885303	616817587	/nfs/dbraw/zinc/81/75/87/616817587.db2.gz	BMTAUPKEHXTGHN-SKDRFNHKSA-N	-1	0	269.301	0.421	20	30		CCEDRM
CNC(=O)[C@H](C#N)C(=O)[C@H]1CCC[C@H](NC(=O)[O-])C1	ZINC000828520987	616838597	/nfs/dbraw/zinc/83/85/97/616838597.db2.gz	RRRKWSCWXJBHPN-XHNCKOQMSA-N	-1	0	267.285	0.268	20	30		CCEDRM
CNC(=O)C(C#N)=C([O-])c1ccc(COCCOC)cc1	ZINC000813060812	616839253	/nfs/dbraw/zinc/83/92/53/616839253.db2.gz	KVITVRHENPUXNC-CYBMUJFWSA-N	-1	0	290.319	0.918	20	30		CCEDRM
COC(=O)c1ccc(CN(CC#N)CC(=O)[O-])o1	ZINC000831378828	616898949	/nfs/dbraw/zinc/89/89/49/616898949.db2.gz	GHLCLNXFODGKDU-UHFFFAOYSA-N	-1	0	252.226	0.476	20	30		CCEDRM
COCCCNC(=S)NN=CCCNC(=O)[O-]	ZINC000828950648	616906066	/nfs/dbraw/zinc/90/60/66/616906066.db2.gz	OAWZKHRJCWMDBH-UHFFFAOYSA-N	-1	0	262.335	0.131	20	30		CCEDRM
CO[C@@]1(CN=Nc2ccc(C(=O)[O-])cn2)CCOC1	ZINC000841632473	616932453	/nfs/dbraw/zinc/93/24/53/616932453.db2.gz	OZOKMDVOISVBNC-GFCCVEGCSA-N	-1	0	265.269	0.983	20	30		CCEDRM
COCCN(CCC#N)C(=O)C[C@@H](C)NC(=O)[O-]	ZINC000828980155	616992200	/nfs/dbraw/zinc/99/22/00/616992200.db2.gz	VMHIJGOIDYPRFX-SECBINFHSA-N	-1	0	257.290	0.421	20	30		CCEDRM
CO[C@H](C)CCC(=O)[N-]S(=O)(=O)c1cncc(C#N)c1	ZINC000813979612	617052645	/nfs/dbraw/zinc/05/26/45/617052645.db2.gz	VRGUDWWFQRQKRM-SECBINFHSA-N	-1	0	297.336	0.573	20	30		CCEDRM
CO[N-]C(=O)CNC(=O)C[C@H](CC#N)c1ccccc1	ZINC000832754106	617110628	/nfs/dbraw/zinc/11/06/28/617110628.db2.gz	YQZBXNSIKYUMTH-LBPRGKRZSA-N	-1	0	275.308	0.868	20	30		CCEDRM
CO[N-]C(=O)CNC(=O)c1ccc(C(C)(C)C#N)cc1	ZINC000832753475	617116418	/nfs/dbraw/zinc/11/64/18/617116418.db2.gz	PJZLXJCGWZPRQW-UHFFFAOYSA-N	-1	0	275.308	0.895	20	30		CCEDRM
Cc1ncc(S(=O)(=O)NC/C=C\C(=O)[O-])cc1C#N	ZINC000311961482	625296823	/nfs/dbraw/zinc/29/68/23/625296823.db2.gz	LHOSAIZVWXKURS-IHWYPQMZSA-N	-1	0	281.293	0.181	20	30		CCEDRM
N#CCCCS(=O)(=O)[N-]C(=O)CCC1CCOCC1	ZINC000181284687	625369958	/nfs/dbraw/zinc/36/99/58/625369958.db2.gz	LLFUOVWZVCVVPZ-UHFFFAOYSA-N	-1	0	288.369	0.943	20	30		CCEDRM
CC[C@H](NN=C(C)CS(=O)(=O)CC)C(=O)[O-]	ZINC000309669619	623173376	/nfs/dbraw/zinc/17/33/76/623173376.db2.gz	JFXDSGZGYVHCKL-QMMMGPOBSA-N	-1	0	250.320	0.250	20	30		CCEDRM
CCN1CCO[C@@H](C(=O)Nc2cc(C#N)ccc2[O-])C1	ZINC000179735279	623346049	/nfs/dbraw/zinc/34/60/49/623346049.db2.gz	ORNMIHBNWQPVTC-CYBMUJFWSA-N	-1	0	275.308	0.923	20	30		CCEDRM
C#CCCCCNC(=O)N[C@@H](CCOC)C(=O)[O-]	ZINC000229758507	623562520	/nfs/dbraw/zinc/56/25/20/623562520.db2.gz	HEHHLIXSSZHNSB-JTQLQIEISA-N	-1	0	256.302	0.579	20	30		CCEDRM
C[C@H](CC#N)C(=O)[N-]S(=O)(=O)[C@@H]1CCCOC1	ZINC000850933991	623617390	/nfs/dbraw/zinc/61/73/90/623617390.db2.gz	NXIWUPVJFWVUHH-RKDXNWHRSA-N	-1	0	260.315	0.161	20	30		CCEDRM
C#C[C@H]1CCCCN1C(=O)c1cnc([O-])n(C)c1=O	ZINC000890652680	624547542	/nfs/dbraw/zinc/54/75/42/624547542.db2.gz	VREHQGYLAWGRLZ-VIFPVBQESA-N	-1	0	261.281	0.114	20	30		CCEDRM
CC(=O)N(C)CC(=O)[N-]S(=O)(=O)c1ccc(F)cc1	ZINC000048454673	624784856	/nfs/dbraw/zinc/78/48/56/624784856.db2.gz	LOXIAYNQHDFHHE-UHFFFAOYSA-N	-1	0	288.300	0.949	20	30		CCEDRM
C=CCN(CC(=O)[O-])S(=O)(=O)c1cccc(F)c1C#N	ZINC000092464035	624851591	/nfs/dbraw/zinc/85/15/91/624851591.db2.gz	SEULIMKHJDRIMF-UHFFFAOYSA-N	-1	0	298.295	0.959	20	30		CCEDRM
CCCCC(=O)[N-]S(=O)(=O)c1cc(C(N)=O)n(C)c1	ZINC000048518736	631729398	/nfs/dbraw/zinc/72/93/98/631729398.db2.gz	UJJUHJKLZNXVQJ-UHFFFAOYSA-N	-1	0	287.341	0.959	20	30		CCEDRM
C#Cc1cncc(C(=O)N2CC[C@](OC)(C(=O)[O-])C2)c1	ZINC000910221923	635706801	/nfs/dbraw/zinc/70/68/01/635706801.db2.gz	NBTAFWCYAANVSY-CQSZACIVSA-N	-1	0	274.276	0.379	20	30		CCEDRM
N#CCN1CCC[C@H](NC(=O)c2ncccc2O)C1	ZINC001007192990	650070513	/nfs/dbraw/zinc/07/05/13/650070513.db2.gz	YWPJDOIIOARZBA-JTQLQIEISA-N	-1	0	260.297	0.505	20	30		CCEDRM
Cc1n[nH]c(C(=O)N[C@]23CCC[C@@H]2N(CC#N)CC3)c1[O-]	ZINC000990264353	633499147	/nfs/dbraw/zinc/49/91/47/633499147.db2.gz	GIHUPBWUYHFQMI-HZMBPMFUSA-N	-1	0	289.339	0.674	20	30		CCEDRM
N#CCCCCS(=O)(=O)N1C[C@H]2[C@H](C(=O)[O-])[C@H]2C1	ZINC000899938384	633925698	/nfs/dbraw/zinc/92/56/98/633925698.db2.gz	ICMHQNPMSRWGEY-MYJAWHEDSA-N	-1	0	272.326	0.272	20	30		CCEDRM
Cc1cc(C#N)nc(N2C[C@@H]3COC[C@]3(C(=O)[O-])C2)c1	ZINC000900963432	634135546	/nfs/dbraw/zinc/13/55/46/634135546.db2.gz	WVOKUGQVEWCXEN-QMTHXVAHSA-N	-1	0	273.292	0.799	20	30		CCEDRM
Cn1cc(C(=O)[O-])cc1C=NNCC(C)(C)CO	ZINC000901234514	634211344	/nfs/dbraw/zinc/21/13/44/634211344.db2.gz	KPASSLJUDJITAL-UHFFFAOYSA-N	-1	0	253.302	0.665	20	30		CCEDRM
Cn1nc(C(=O)[O-])cc1C=NNC1CCSCC1	ZINC000901276627	634217526	/nfs/dbraw/zinc/21/75/26/634217526.db2.gz	SCQJHIOTVKBNPU-UHFFFAOYSA-N	-1	0	268.342	0.937	20	30		CCEDRM
N#CC1(C(=O)N2C[C@@H]3COC[C@]3(C(=O)[O-])C2)CCC1	ZINC000902061030	634307649	/nfs/dbraw/zinc/30/76/49/634307649.db2.gz	MRLNOTGCHFNXIV-NOZJJQNGSA-N	-1	0	264.281	0.240	20	30		CCEDRM
C[C@@]1(C(=O)[O-])CCCN1C(=O)Cc1ccc(C#N)nc1	ZINC000902113494	634315442	/nfs/dbraw/zinc/31/54/42/634315442.db2.gz	OZMUADTWPNJYGT-AWEZNQCLSA-N	-1	0	273.292	0.961	20	30		CCEDRM
N#Cc1nc(N2CC[C@](O)(C(=O)[O-])C2)ccc1Cl	ZINC000906148890	634965517	/nfs/dbraw/zinc/96/55/17/634965517.db2.gz	DGTCYGKISZJZSS-LLVKDONJSA-N	-1	0	267.672	0.632	20	30		CCEDRM
Cc1cc(C(=O)[O-])c(F)c(S(=O)(=O)N2CC(C#N)C2)c1	ZINC000906999136	635060964	/nfs/dbraw/zinc/06/09/64/635060964.db2.gz	UMPNCHRMKPHNLC-UHFFFAOYSA-N	-1	0	298.295	0.976	20	30		CCEDRM
C=C[C@](C)(O)C(=O)Nc1ncc(CC(=O)[O-])s1	ZINC000910675299	635820792	/nfs/dbraw/zinc/82/07/92/635820792.db2.gz	QDRJDOXYXBPCRU-JTQLQIEISA-N	-1	0	256.283	0.646	20	30		CCEDRM
C[C@@H](Sc1ccccc1C(=O)NCC#CCO)C(=O)[O-]	ZINC000911402329	636255225	/nfs/dbraw/zinc/25/52/25/636255225.db2.gz	YFZBDSPUFJCHCW-SNVBAGLBSA-N	-1	0	293.344	0.977	20	30		CCEDRM
C[C@@H]1C(=O)N([N-]C(=O)c2ccsc2C#N)C(=O)N1C	ZINC000912817503	636684203	/nfs/dbraw/zinc/68/42/03/636684203.db2.gz	WXQDYJMDQKCVLI-ZCFIWIBFSA-N	-1	0	278.293	0.547	20	30		CCEDRM
C#CCN(C)S(=O)(=O)c1cc(C(=O)[O-])c(O)cc1C	ZINC000164451954	636872780	/nfs/dbraw/zinc/87/27/80/636872780.db2.gz	FKAZZBHOCHICHT-UHFFFAOYSA-N	-1	0	283.305	0.653	20	30		CCEDRM
Cc1ccc(F)cc1NN=C1C(=O)[N-]C(=O)NC1=O	ZINC000916626250	637910570	/nfs/dbraw/zinc/91/05/70/637910570.db2.gz	HDZGOTOMAZXBQY-UHFFFAOYSA-N	-1	0	264.216	0.268	20	30		CCEDRM
Cn1c(C([O-])=C(C#N)C(=O)N2CCCC2)ccc1[N+](=O)[O-]	ZINC000916871643	637930288	/nfs/dbraw/zinc/93/02/88/637930288.db2.gz	QKENNRVQBBTZFP-SECBINFHSA-N	-1	0	290.279	0.878	20	30		CCEDRM
O=C(C#CC1CC1)N1CCC([NH2+]Cc2n[nH]c(=O)[n-]2)CC1	ZINC000996393538	638817106	/nfs/dbraw/zinc/81/71/06/638817106.db2.gz	CRBDLTRRCPXADK-UHFFFAOYSA-N	-1	0	289.339	0.004	20	30		CCEDRM
O=C(N[C@H]1CCN(O)C1=O)c1ccc(Cl)cn1	ZINC000820156360	638865324	/nfs/dbraw/zinc/86/53/24/638865324.db2.gz	GWVMNIFXPQBVJA-QMMMGPOBSA-N	-1	0	255.661	0.455	20	30		CCEDRM
N#C[C@@]1(C(=O)N[C@@H](CC(F)(F)F)C(=O)[O-])CCCOC1	ZINC000923077603	640015146	/nfs/dbraw/zinc/01/51/46/640015146.db2.gz	UJRHOFYZISBDLW-XVKPBYJWSA-N	-1	0	294.229	0.829	20	30		CCEDRM
C[C@@H](C(=O)[O-])[C@H](C)NC(=O)[C@]1(C#N)CCCOC1	ZINC000923077759	640015444	/nfs/dbraw/zinc/01/54/44/640015444.db2.gz	YUQXPMZZNVSYSB-PTRXPTGYSA-N	-1	0	254.286	0.532	20	30		CCEDRM
C[C@H](CNC(=O)[C@]1(C#N)CCCOC1)CC(=O)[O-]	ZINC000923072208	640016773	/nfs/dbraw/zinc/01/67/73/640016773.db2.gz	ZWLARBMIKFEBOG-CABZTGNLSA-N	-1	0	254.286	0.534	20	30		CCEDRM
O=C([O-])Cn1cc(/C=C2/Cc3cc(O)ccc3C2=O)nn1	ZINC000187222328	640209061	/nfs/dbraw/zinc/20/90/61/640209061.db2.gz	VLYSWIMIHTWCDU-WTKPLQERSA-N	-1	0	285.259	0.891	20	30		CCEDRM
Cc1oc(C#N)cc1C(=O)[N-]S(=O)(=O)N1CCCC1	ZINC000797943847	640471668	/nfs/dbraw/zinc/47/16/68/640471668.db2.gz	NZXFWDXABQFKPQ-UHFFFAOYSA-N	-1	0	283.309	0.530	20	30		CCEDRM
CC#CCS(=O)(=O)[N-]C(=O)c1cccc2c1OCO2	ZINC000798202375	640484721	/nfs/dbraw/zinc/48/47/21/640484721.db2.gz	AVJQAKMMFQDLJV-UHFFFAOYSA-N	-1	0	281.289	0.498	20	30		CCEDRM
Cn1nncc1C([O-])=C(C#N)C(=O)NCc1ccccc1	ZINC000798816302	640528612	/nfs/dbraw/zinc/52/86/12/640528612.db2.gz	JNLPUGDSFKECQV-NSHDSACASA-N	-1	0	283.291	0.454	20	30		CCEDRM
C[C@@H](C(=O)Nc1cc(C#N)ccc1[O-])n1cnc(C#N)n1	ZINC000798985629	640536210	/nfs/dbraw/zinc/53/62/10/640536210.db2.gz	QMJHYHUMTJISBK-QMMMGPOBSA-N	-1	0	282.263	0.927	20	30		CCEDRM
N#Cc1cc(F)cc(C2(C(=O)[N-]OCC(N)=O)CC2)c1	ZINC000803004727	640714052	/nfs/dbraw/zinc/71/40/52/640714052.db2.gz	IYLDNHIDQRMMAZ-UHFFFAOYSA-N	-1	0	277.255	0.262	20	30		CCEDRM
N#CC(C(=O)N1CCCC1)=C([O-])c1nnc2ccccc2n1	ZINC000810526245	640937095	/nfs/dbraw/zinc/93/70/95/640937095.db2.gz	AKMXDOCFCLDEBQ-SNVBAGLBSA-N	-1	0	295.302	0.970	20	30		CCEDRM
C[C@H](C(=O)[N-]OC/C=C/Cl)n1cnc(C#N)n1	ZINC000812408658	641002802	/nfs/dbraw/zinc/00/28/02/641002802.db2.gz	RQIWZNHTLKPRDY-TYWZFMJISA-N	-1	0	255.665	0.511	20	30		CCEDRM
Cn1cc(C=[NH+][N-]c2ncnc3[n-]cnc32)c(=O)[nH]1	ZINC000814220261	641060342	/nfs/dbraw/zinc/06/03/42/641060342.db2.gz	VJRJPKZTLSONKO-UHFFFAOYSA-N	-1	0	258.245	0.238	20	30		CCEDRM
Cc1cc(C=Nn2c(=O)[n-][nH]c2=O)ccc1-n1cncn1	ZINC000814230968	641060849	/nfs/dbraw/zinc/06/08/49/641060849.db2.gz	FXZLHSNNOWMBKO-UHFFFAOYSA-N	-1	0	285.267	0.461	20	30		CCEDRM
O=c1[n-][nH]c(=O)n1N=Cc1ccc(-n2cncn2)cc1	ZINC000814231427	641061429	/nfs/dbraw/zinc/06/14/29/641061429.db2.gz	WWNVHYAFGJLZSQ-UHFFFAOYSA-N	-1	0	271.240	0.152	20	30		CCEDRM
Cc1ccc(-c2n[nH]cc2C=Nn2c(=O)[n-][nH]c2=O)o1	ZINC000814233586	641061878	/nfs/dbraw/zinc/06/18/78/641061878.db2.gz	XAJWRMCDGFHYNM-UHFFFAOYSA-N	-1	0	274.240	0.863	20	30		CCEDRM
O=c1[n-][nH]c(=O)n1N=Cc1nccn1Cc1ccccc1	ZINC000814232901	641062467	/nfs/dbraw/zinc/06/24/67/641062467.db2.gz	QYBDQCVDZLPJOJ-UHFFFAOYSA-N	-1	0	284.279	0.816	20	30		CCEDRM
O=c1[n-][nH]c(=O)n1N=Cc1cc2c(c(Cl)c1)OCO2	ZINC000814233095	641062531	/nfs/dbraw/zinc/06/25/31/641062531.db2.gz	ANDJHKWMQPWWLK-UHFFFAOYSA-N	-1	0	282.643	0.954	20	30		CCEDRM
Cc1ccccc1-n1cc(C=Nn2c(=O)[n-][nH]c2=O)nn1	ZINC000814233431	641062621	/nfs/dbraw/zinc/06/26/21/641062621.db2.gz	PLXYITMWUNCXGE-UHFFFAOYSA-N	-1	0	285.267	0.461	20	30		CCEDRM
O=C([O-])CNN=C1C(=O)Nc2cc3c(cc21)OCCCO3	ZINC000814959271	641084837	/nfs/dbraw/zinc/08/48/37/641084837.db2.gz	XTZIOBZBJPXPEZ-UHFFFAOYSA-N	-1	0	291.263	0.178	20	30		CCEDRM
Cc1nc(C(=O)[N-]S(=O)(=O)CC2(C#N)CC2)c(C)o1	ZINC000816014841	641136467	/nfs/dbraw/zinc/13/64/67/641136467.db2.gz	PIAHWEPIWQJNAU-UHFFFAOYSA-N	-1	0	283.309	0.655	20	30		CCEDRM
O=C([O-])COc1cccc(C=NN[C@@H]2CCC[C@H]2O)c1	ZINC000817333877	641253693	/nfs/dbraw/zinc/25/36/93/641253693.db2.gz	XOIWUAMFMANHQE-CHWSQXEVSA-N	-1	0	278.308	0.987	20	30		CCEDRM
C#CCCCOC(=O)Cc1c(C)nc2cc[n-]n2c1=O	ZINC000103801404	641266253	/nfs/dbraw/zinc/26/62/53/641266253.db2.gz	WOJRNTREHWTOFX-UHFFFAOYSA-N	-1	0	273.292	0.830	20	30		CCEDRM
Cn1c([O-])c(C(=O)/C=C/c2cncs2)c(=O)n(C)c1=O	ZINC000821012273	641556320	/nfs/dbraw/zinc/55/63/20/641556320.db2.gz	HCTKJRDMXHEHPS-ONEGZZNKSA-N	-1	0	293.304	0.142	20	30		CCEDRM
N#CCN1CC[C@H](NC(=O)c2ccc3oc(=O)nc-3[n-]2)C1	ZINC001015988824	650671169	/nfs/dbraw/zinc/67/11/69/650671169.db2.gz	GBFKOYWYRUDBFN-QMMMGPOBSA-N	-1	0	287.279	0.256	20	30		CCEDRM
N#CCCS(=O)(=O)[N-]C(=O)CCc1ccncc1	ZINC000821584205	641611270	/nfs/dbraw/zinc/61/12/70/641611270.db2.gz	UZFYHWJOBCIRBZ-UHFFFAOYSA-N	-1	0	267.310	0.374	20	30		CCEDRM
N#CCCS(=O)(=O)[N-]C(=O)CC[C@H]1CCCCO1	ZINC000821584277	641611621	/nfs/dbraw/zinc/61/16/21/641611621.db2.gz	XEIIPMWNFJEFEJ-SNVBAGLBSA-N	-1	0	274.342	0.695	20	30		CCEDRM
N#CCCS(=O)(=O)[N-]C(=O)c1ccc(F)cc1	ZINC000821582775	641611764	/nfs/dbraw/zinc/61/17/64/641611764.db2.gz	XHARLZGYEDRGLP-UHFFFAOYSA-N	-1	0	256.258	0.799	20	30		CCEDRM
N#Cc1c(-c2nnn[n-]2)nc(N)n1Cc1cnoc1C1CC1	ZINC000826383228	641931363	/nfs/dbraw/zinc/93/13/63/641931363.db2.gz	QGSITLBUCDZDNN-UHFFFAOYSA-N	-1	0	297.282	0.431	20	30		CCEDRM
N#Cc1ccc([O-])c(NC(=O)[C@H]2CCCN2C=O)c1	ZINC000831271566	642340856	/nfs/dbraw/zinc/34/08/56/642340856.db2.gz	JJLLZZCFUFHXTD-LLVKDONJSA-N	-1	0	259.265	0.823	20	30		CCEDRM
Cc1n[nH]c(C(=O)N[C@H]2CC23CCN(CC#N)CC3)c1[O-]	ZINC001016577769	650745539	/nfs/dbraw/zinc/74/55/39/650745539.db2.gz	ZQHBSHGUGNTOKF-JTQLQIEISA-N	-1	0	289.339	0.532	20	30		CCEDRM
C#CCO[C@@H](C)C(=O)[N-]S(=O)(=O)c1cc(C)cc(F)c1	ZINC000835221449	642654392	/nfs/dbraw/zinc/65/43/92/642654392.db2.gz	YYASKCFBRGAHGU-JTQLQIEISA-N	-1	0	299.323	0.977	20	30		CCEDRM
O=C(C#CC1CC1)N1CCC(c2n[nH]c(=O)[n-]2)CC1	ZINC000843873903	643121192	/nfs/dbraw/zinc/12/11/92/643121192.db2.gz	WDKILJYPAABHEK-UHFFFAOYSA-N	-1	0	260.297	0.630	20	30		CCEDRM
O=C(C#CC1CC1)N1CCC[C@H](c2n[nH]c(=O)[n-]2)C1	ZINC000843879319	643122470	/nfs/dbraw/zinc/12/24/70/643122470.db2.gz	XJKBIDTZTBNYCL-JTQLQIEISA-N	-1	0	260.297	0.630	20	30		CCEDRM
N#Cc1c(=O)[n-]cc2c1CCCC2N=Nc1nc[nH]n1	ZINC000844595906	643228197	/nfs/dbraw/zinc/22/81/97/643228197.db2.gz	BZOVDVDOYMGEBB-UHFFFAOYSA-N	-1	0	269.268	0.929	20	30		CCEDRM
O=C([O-])C#CC1CCN(S(=O)(=O)CCCF)CC1	ZINC000844817133	643249762	/nfs/dbraw/zinc/24/97/62/643249762.db2.gz	OBMFEOIEMDCXDU-UHFFFAOYSA-N	-1	0	277.317	0.476	20	30		CCEDRM
Cc1cc(NN=Cc2c(C(=O)[O-])cnn2C)nc(C)n1	ZINC000848403016	643632695	/nfs/dbraw/zinc/63/26/95/643632695.db2.gz	LYVCYXMDOFSLDY-UHFFFAOYSA-N	-1	0	274.284	0.971	20	30		CCEDRM
N#CCCCS(=O)(=O)N[C@H]1CC=C(C(=O)[O-])C1	ZINC000853069831	644071842	/nfs/dbraw/zinc/07/18/42/644071842.db2.gz	SMXUTNZVXNFZQY-VIFPVBQESA-N	-1	0	258.299	0.383	20	30		CCEDRM
Cc1nnc(NN=Cc2c(C3CC3)cnn2C)[n-]c1=O	ZINC000853270479	644095878	/nfs/dbraw/zinc/09/58/78/644095878.db2.gz	YREJBYLDXCWJJR-UHFFFAOYSA-N	-1	0	273.300	0.943	20	30		CCEDRM
N#CCCS(=O)(=O)[N-]C(=O)c1cnc2n1CCCCC2	ZINC000857027566	644457486	/nfs/dbraw/zinc/45/74/86/644457486.db2.gz	SKGIJKNRQPGDKP-UHFFFAOYSA-N	-1	0	296.352	0.583	20	30		CCEDRM
N#CCc1ccsc1C(=O)N1CCO[C@@H](C(=O)[O-])C1	ZINC000868436314	645767640	/nfs/dbraw/zinc/76/76/40/645767640.db2.gz	OLQZHDRZUVXYKQ-SECBINFHSA-N	-1	0	280.305	0.740	20	30		CCEDRM
C[C@@H]1C[C@@H](C(=O)[N-]S(=O)(=O)CCCC#N)[C@H](C)O1	ZINC000870270305	645976628	/nfs/dbraw/zinc/97/66/28/645976628.db2.gz	UTSGITWTWQLULF-KXUCPTDWSA-N	-1	0	274.342	0.550	20	30		CCEDRM
N#Cc1cccc(O[N-]C(=O)[C@H](O)C2CCOCC2)c1	ZINC000870692447	646017561	/nfs/dbraw/zinc/01/75/61/646017561.db2.gz	FCEABYCARSMQRY-CYBMUJFWSA-N	-1	0	276.292	0.756	20	30		CCEDRM
C[C@H](C(=O)[N-]Oc1cccc(C#N)c1)S(C)(=O)=O	ZINC000870692963	646017613	/nfs/dbraw/zinc/01/76/13/646017613.db2.gz	UAHFLCVRGWIHCY-MRVPVSSYSA-N	-1	0	268.294	0.401	20	30		CCEDRM
N#Cc1cccc(O[N-]C(=O)CN2CCCCC2=O)c1	ZINC000870692626	646017990	/nfs/dbraw/zinc/01/79/90/646017990.db2.gz	IKOOPMMWWHYQSX-UHFFFAOYSA-N	-1	0	273.292	0.981	20	30		CCEDRM
C#CC1(NC(=O)c2cnc([O-])n(C)c2=O)CCCC1	ZINC000882534751	647415309	/nfs/dbraw/zinc/41/53/09/647415309.db2.gz	WSKJXQQYZMKNFB-UHFFFAOYSA-N	-1	0	261.281	0.162	20	30		CCEDRM
N#CCC1(CS(=O)(=O)N2CCC[C@@H]3C[C@@]32C(=O)[O-])CC1	ZINC000926606073	648512771	/nfs/dbraw/zinc/51/27/71/648512771.db2.gz	SUSLUUAJFZBFFC-MFKMUULPSA-N	-1	0	298.364	0.949	20	30		CCEDRM
C#CCN(C(=O)c1cccc(-n2[n-]nnc2=N)c1)C(C)C	ZINC000928623916	648656280	/nfs/dbraw/zinc/65/62/80/648656280.db2.gz	RZGUQEYSUXBOFH-UHFFFAOYSA-N	-1	0	284.323	0.559	20	30		CCEDRM
CCO[C@@H](CC)C(=O)[N-]S(=O)(=O)c1cnn(C)c1	ZINC000049004375	649328921	/nfs/dbraw/zinc/32/89/21/649328921.db2.gz	QDRFCDPAMZKEJF-VIFPVBQESA-N	-1	0	275.330	0.880	20	30		CCEDRM
C=CCN(CC(=O)[O-])C(=O)CNC(=O)CCC(C)C	ZINC000191267117	649470894	/nfs/dbraw/zinc/47/08/94/649470894.db2.gz	JRCUGXPZNIVVJG-UHFFFAOYSA-N	-1	0	270.329	0.638	20	30		CCEDRM
Cn1cc(C(=O)[N-]S(=O)(=O)c2cccnc2)ccc1=O	ZINC000079733025	649521730	/nfs/dbraw/zinc/52/17/30/649521730.db2.gz	RXUIOHLJCHHVNW-UHFFFAOYSA-N	-1	0	293.304	0.474	20	30		CCEDRM
Cn1cc(S(=O)(=O)NCCCCC#N)cc1C(=O)[O-]	ZINC000079866042	649527605	/nfs/dbraw/zinc/52/76/05/649527605.db2.gz	YYWURKKTOOEZET-UHFFFAOYSA-N	-1	0	285.325	0.695	20	30		CCEDRM
COCCNC(=O)C(C#N)=C([O-])c1cc(C2CC2)[nH]n1	ZINC000193424189	649537922	/nfs/dbraw/zinc/53/79/22/649537922.db2.gz	PWQIJZSPUUFDOR-VIFPVBQESA-N	-1	0	276.296	0.372	20	30		CCEDRM
C=CCN(CC(=O)[O-])C(=O)CCCCCNC(C)=O	ZINC000092462512	649723710	/nfs/dbraw/zinc/72/37/10/649723710.db2.gz	ZJKDVXDKOMVZNJ-UHFFFAOYSA-N	-1	0	270.329	0.782	20	30		CCEDRM
C#CCN(CC(=O)[O-])S(=O)(=O)c1ccc2c(c1)CCO2	ZINC000092479926	649724220	/nfs/dbraw/zinc/72/42/20/649724220.db2.gz	WFWSOUDGBGKUFS-UHFFFAOYSA-N	-1	0	295.316	0.330	20	30		CCEDRM
N#CCCCC(=O)NC1(CC(=O)[O-])CCOCC1	ZINC001594606035	956175621	/nfs/dbraw/zinc/17/56/21/956175621.db2.gz	NAAGLRGOPNPMTJ-UHFFFAOYSA-N	-1	0	254.286	0.820	20	30		CCEDRM
CC1(C)C[C@]1(C(=O)[O-])C(=O)OCC1(C#N)COC1	ZINC001589217486	956736297	/nfs/dbraw/zinc/73/62/97/956736297.db2.gz	KHBPZQSCGOGYAJ-LBPRGKRZSA-N	-1	0	253.254	0.571	20	30		CCEDRM
COC(=O)C[C@H](C)NC(=O)[C@@](C)(C#N)CC(=O)[O-]	ZINC001574069396	962239535	/nfs/dbraw/zinc/23/95/35/962239535.db2.gz	AUMCXADRWKRYCE-WRWORJQWSA-N	-1	0	256.258	0.059	20	30		CCEDRM
Cn1cc(C#N)c(=NC(=O)C2CCSCC2)[n-]1	ZINC000402268029	791104659	/nfs/dbraw/zinc/10/46/59/791104659.db2.gz	CZMXUUCECWDWFN-UHFFFAOYSA-N	-1	0	250.327	0.795	20	30		CCEDRM
N#Cc1ccc([N-]S(=O)(=O)c2cncc(N)c2)c(N)c1	ZINC001213355741	791309121	/nfs/dbraw/zinc/30/91/21/791309121.db2.gz	SOVHRTMNULUYSX-UHFFFAOYSA-N	-1	0	289.320	0.918	20	30		CCEDRM
N#Cc1ccc(CN2CCN(C(N)=O)CC2)c(O)c1	ZINC001233386293	806053946	/nfs/dbraw/zinc/05/39/46/806053946.db2.gz	NWUPQZAZRKLMBJ-UHFFFAOYSA-N	-1	0	260.297	0.460	20	30		CCEDRM
COC(=O)c1scc(C#N)c1NC(=O)C(=O)[O-]	ZINC001143409416	791324736	/nfs/dbraw/zinc/32/47/36/791324736.db2.gz	LGNGBYNTWYRYSL-UHFFFAOYSA-N	-1	0	254.223	0.429	20	30		CCEDRM
C#Cc1cncc(C(=O)NC[C@H](C(=O)[O-])[C@@H]2CCOC2)c1	ZINC001123295823	799385165	/nfs/dbraw/zinc/38/51/65/799385165.db2.gz	GPGXNMJJZOIPLW-YPMHNXCESA-N	-1	0	288.303	0.530	20	30		CCEDRM
C=C(CC(C)C)C(=O)N1CCO[C@H](c2nnn[n-]2)C1	ZINC001123560525	799433314	/nfs/dbraw/zinc/43/33/14/799433314.db2.gz	NQHUAYUNQYUDJT-JTQLQIEISA-N	-1	0	265.317	0.702	20	30		CCEDRM
C=C(C)CO[C@H](CN1CCOCC1)CS(=O)(=O)[O-]	ZINC001206742696	799884727	/nfs/dbraw/zinc/88/47/27/799884727.db2.gz	HCJVUSBKGAFGCX-LLVKDONJSA-N	-1	0	279.358	0.168	20	30		CCEDRM
N#Cc1cc(NC(=O)Cn2cnnn2)c([O-])cc1F	ZINC001142139298	800079281	/nfs/dbraw/zinc/07/92/81/800079281.db2.gz	MTQCDOWUKQTLAQ-UHFFFAOYSA-N	-1	0	262.204	0.028	20	30		CCEDRM
N#Cc1cc(NC(=O)C2(C(N)=O)CC2)c([O-])cc1F	ZINC001143167150	800202887	/nfs/dbraw/zinc/20/28/87/800202887.db2.gz	PQEUVOJPOOQEAA-UHFFFAOYSA-N	-1	0	263.228	0.607	20	30		CCEDRM
C=C[C@@](C)(O)C(=O)N(Cc1nnn[n-]1)CC(C)C	ZINC001153810717	800669984	/nfs/dbraw/zinc/66/99/84/800669984.db2.gz	CTTTZULGEGYGLO-LLVKDONJSA-N	-1	0	253.306	0.121	20	30		CCEDRM
C#Cc1cc(=NC(=O)c2c[n-]c3cccnc3c2=O)cc[nH]1	ZINC001153854335	800678339	/nfs/dbraw/zinc/67/83/39/800678339.db2.gz	WRQGCJXIRALBBX-UHFFFAOYSA-N	-1	0	290.282	0.974	20	30		CCEDRM
C=C[C@@H](CO)NC(=O)c1c[n-]c2cccnc2c1=O	ZINC001153862108	800681386	/nfs/dbraw/zinc/68/13/86/800681386.db2.gz	QAZDKPZTABGHTP-QMMMGPOBSA-N	-1	0	259.265	0.200	20	30		CCEDRM
Cn1nnnc1NC(=O)c1cc(=O)c2cc(C#N)ccc2[n-]1	ZINC001154551969	800799387	/nfs/dbraw/zinc/79/93/87/800799387.db2.gz	AUQURXIPVNNTQB-UHFFFAOYSA-N	-1	0	295.262	0.176	20	30		CCEDRM
N#Cc1nc(Cl)c(N[C@H]2SC(=O)[N-]C2=O)nc1C#N	ZINC001155843486	801064228	/nfs/dbraw/zinc/06/42/28/801064228.db2.gz	PHAXROZPJUTYDC-QMMMGPOBSA-N	-1	0	294.683	0.594	20	30		CCEDRM
COCCCONC(=O)c1[n-]c(=O)c(C#N)cc1C	ZINC001157071889	801294354	/nfs/dbraw/zinc/29/43/54/801294354.db2.gz	PHDRHTKJJOXWIZ-UHFFFAOYSA-N	-1	0	265.269	0.665	20	30		CCEDRM
C=CCO[N-]C(=O)Cn1cc(Br)ccc1=O	ZINC001158208289	801595942	/nfs/dbraw/zinc/59/59/42/801595942.db2.gz	FAEMVOQKZRIYJK-UHFFFAOYSA-N	-1	0	287.113	0.845	20	30		CCEDRM
COc1ccnc(NCC(=O)CCC(=O)[O-])c1C#N	ZINC001160874521	802037890	/nfs/dbraw/zinc/03/78/90/802037890.db2.gz	YAXJMTYVJASHKY-UHFFFAOYSA-N	-1	0	263.253	0.808	20	30		CCEDRM
C#CCOCCOCC[N-]S(=O)(=O)C(F)(F)F	ZINC001252390973	807818564	/nfs/dbraw/zinc/81/85/64/807818564.db2.gz	PZZTTYVYTSFKQR-UHFFFAOYSA-N	-1	0	275.248	0.092	20	30		CCEDRM
C=CCN1CCC[C@H]([N-]S(=O)(=O)C(F)F)C1=O	ZINC001259962443	808825784	/nfs/dbraw/zinc/82/57/84/808825784.db2.gz	KDJMVMNCUMECNQ-ZETCQYMHSA-N	-1	0	268.285	0.305	20	30		CCEDRM
N#Cc1nc(N[C@@H]2SC(=O)[N-]C2=O)cc2nc[nH]c21	ZINC001163662263	802585327	/nfs/dbraw/zinc/58/53/27/802585327.db2.gz	MGYTXFPLRLJWHO-SECBINFHSA-N	-1	0	274.265	0.551	20	30		CCEDRM
Cc1ncc(CC(=O)Nc2nc(C#N)c(C#N)[n-]2)o1	ZINC001163738226	802601713	/nfs/dbraw/zinc/60/17/13/802601713.db2.gz	QJBPCFXHJZSZEA-UHFFFAOYSA-N	-1	0	256.225	0.631	20	30		CCEDRM
N#Cc1ncccc1[N-]S(=O)(=O)c1cc(N)ccc1N	ZINC001210147995	803639507	/nfs/dbraw/zinc/63/95/07/803639507.db2.gz	NBWPJHKPXQMWFK-UHFFFAOYSA-N	-1	0	289.320	0.918	20	30		CCEDRM
C=CCC[C@H](NC(=O)N[C@H]1CO[C@@H](C)C1)C(=O)[O-]	ZINC000401939578	803809316	/nfs/dbraw/zinc/80/93/16/803809316.db2.gz	RFXYYGCEHJKICN-AEJSXWLSSA-N	-1	0	256.302	0.882	20	30		CCEDRM
C=CCOC[C@@H](CS(=O)(=O)[O-])Oc1ncccc1N	ZINC001218300526	803946508	/nfs/dbraw/zinc/94/65/08/803946508.db2.gz	WZQPYVVGDYIMDJ-VIFPVBQESA-N	-1	0	288.325	0.502	20	30		CCEDRM
N#CCc1ccc(S(=O)(=O)NC/C=C\C(=O)[O-])cc1	ZINC000311912480	804290741	/nfs/dbraw/zinc/29/07/41/804290741.db2.gz	AEFOCRXCAQUMHZ-UPHRSURJSA-N	-1	0	280.305	0.672	20	30		CCEDRM
C=CCC[C@@H](NS(=O)(=O)c1ccc(C#N)nc1)C(=O)[O-]	ZINC000316303923	804687399	/nfs/dbraw/zinc/68/73/99/804687399.db2.gz	JJLMYCWHRLZLAR-LLVKDONJSA-N	-1	0	295.320	0.651	20	30		CCEDRM
CC(C)(C)OC(=O)N1C[C@@H](C#N)[C@H](OCc2nnn[n-]2)C1	ZINC001223030336	804949147	/nfs/dbraw/zinc/94/91/47/804949147.db2.gz	VYOBELAQWSUBGR-RKDXNWHRSA-N	-1	0	294.315	0.475	20	30		CCEDRM
C=CCOC[C@H](CS(=O)(=O)[O-])OCc1ncco1	ZINC001223118730	804956254	/nfs/dbraw/zinc/95/62/54/804956254.db2.gz	CZLUKEIUFLAYAN-SECBINFHSA-N	-1	0	277.298	0.650	20	30		CCEDRM
N#Cc1cccc(OCCOC(=O)[C@@H](O)CC(=O)[O-])c1	ZINC001224314313	805025782	/nfs/dbraw/zinc/02/57/82/805025782.db2.gz	SHRJIYLBYCMIIX-NSHDSACASA-N	-1	0	279.248	0.316	20	30		CCEDRM
COc1ccc(C#N)cc1OC(=O)[C@@H](O)CC(=O)[O-]	ZINC001225684013	805150339	/nfs/dbraw/zinc/15/03/39/805150339.db2.gz	HHYHXDNCJBWVDW-QMMMGPOBSA-N	-1	0	265.221	0.308	20	30		CCEDRM
C=C[C@@H]1O[C@H](Oc2nncc(=O)[n-]2)[C@H]2OC(C)(C)O[C@@H]12	ZINC001226171049	805200703	/nfs/dbraw/zinc/20/07/03/805200703.db2.gz	WTCGTDUKQWAQET-MIBSWOBISA-N	-1	0	281.268	0.387	20	30		CCEDRM
Cc1cc(=O)[n-]c(O[C@H]2CCS(=O)(=O)C2)c1C#N	ZINC001226220978	805205770	/nfs/dbraw/zinc/20/57/70/805205770.db2.gz	DQSYPJZTTYHZSQ-QMMMGPOBSA-N	-1	0	268.294	0.533	20	30		CCEDRM
CC(=O)N1CC[C@@H](Oc2[n-]c(=O)cc(C)c2C#N)C1	ZINC001226221239	805206961	/nfs/dbraw/zinc/20/69/61/805206961.db2.gz	KBKYVGABMWGCJX-SNVBAGLBSA-N	-1	0	261.281	0.967	20	30		CCEDRM
N#CCN1CC[C@@H](Oc2nc3ncnc-3c(S)[n-]2)C1	ZINC001226784214	805281443	/nfs/dbraw/zinc/28/14/43/805281443.db2.gz	FJUJYLZDTQRYHP-SSDOTTSWSA-N	-1	0	276.325	0.618	20	30		CCEDRM
N#Cc1ccc2[nH]c(OC(=O)[C@@H](O)CC(=O)[O-])nc2c1	ZINC001227216450	805331159	/nfs/dbraw/zinc/33/11/59/805331159.db2.gz	SRHCJWQRLOTFNA-VIFPVBQESA-N	-1	0	275.220	0.176	20	30		CCEDRM
N#Cc1ccc(OC(=O)[C@H](O)CCC(=O)[O-])c([N+](=O)[O-])c1	ZINC001227291849	805339570	/nfs/dbraw/zinc/33/95/70/805339570.db2.gz	OPDHYJKMKOHLNJ-SECBINFHSA-N	-1	0	294.219	0.598	20	30		CCEDRM
CC[C@H]1OC(C)=C(Oc2nc(=O)[n-]c(=O)[nH]2)C1=O	ZINC001227571249	805366275	/nfs/dbraw/zinc/36/62/75/805366275.db2.gz	REGHRJFEVCWUBB-RXMQYKEDSA-N	-1	0	253.214	0.271	20	30		CCEDRM
C=C(C)C(=O)NC(=N)SCCS(=O)(=O)[O-]	ZINC001142515572	815070582	/nfs/dbraw/zinc/07/05/82/815070582.db2.gz	SCLVRVDKIIQWGZ-UHFFFAOYSA-N	-1	0	252.317	0.234	20	30		CCEDRM
N#CCN1CC[C@@H](Oc2nc(=O)[n-]c3c2COC3)C1	ZINC001227686106	805377776	/nfs/dbraw/zinc/37/77/76/805377776.db2.gz	GJUIKIKDMGPAFQ-MRVPVSSYSA-N	-1	0	262.269	0.189	20	30		CCEDRM
CC[C@H](C#CC(=O)OC)Oc1c[n-]c(C(=O)OC)cc1=O	ZINC001227787169	805390085	/nfs/dbraw/zinc/39/00/85/805390085.db2.gz	ZDRHYVKBKPXITP-SECBINFHSA-N	-1	0	293.275	0.495	20	30		CCEDRM
C=CCOC[C@H](CS(=O)(=O)[O-])Oc1cncc(O)c1	ZINC001228891410	805486466	/nfs/dbraw/zinc/48/64/66/805486466.db2.gz	FXZCFAXAAQJQAU-LLVKDONJSA-N	-1	0	289.309	0.625	20	30		CCEDRM
Cn1cc(-c2ccc(=NC(=O)NCCC#N)[n-]n2)cn1	ZINC000433680188	815144812	/nfs/dbraw/zinc/14/48/12/815144812.db2.gz	YKJGSMPLOKNLLB-UHFFFAOYSA-N	-1	0	271.284	0.334	20	30		CCEDRM
C#CCOCCOCc1cn(CCCC(=O)[O-])nn1	ZINC001254086292	808179435	/nfs/dbraw/zinc/17/94/35/808179435.db2.gz	KQOPJDQEGDOMIA-UHFFFAOYSA-N	-1	0	267.285	0.309	20	30		CCEDRM
N#CC1(C(=O)[N-]OC[C@H]2CCOC2)CCOCC1	ZINC001255632141	808415549	/nfs/dbraw/zinc/41/55/49/808415549.db2.gz	GEYCVKJVTPYIIY-JTQLQIEISA-N	-1	0	254.286	0.391	20	30		CCEDRM
Cn1ncc([N-]S(=O)(=O)c2ccccc2C#N)n1	ZINC001258201499	808664197	/nfs/dbraw/zinc/66/41/97/808664197.db2.gz	FKYIZMKHHDUJPX-UHFFFAOYSA-N	-1	0	263.282	0.488	20	30		CCEDRM
Cc1ccnc(C#N)c1[N-]S(=O)(=O)c1cn(C)cn1	ZINC001258994439	808709809	/nfs/dbraw/zinc/70/98/09/808709809.db2.gz	WSYKQSPNYCUBQN-UHFFFAOYSA-N	-1	0	277.309	0.796	20	30		CCEDRM
COC(=O)CS(=O)(=O)[N-]c1cc(F)c(F)cc1C#N	ZINC001259025875	808722343	/nfs/dbraw/zinc/72/23/43/808722343.db2.gz	CZKIRHBXTVZLFC-UHFFFAOYSA-N	-1	0	290.247	0.751	20	30		CCEDRM
Cn1cnc([N-]S(=O)(=O)c2cccc(C#N)c2)c1C#N	ZINC001259118966	808732625	/nfs/dbraw/zinc/73/26/25/808732625.db2.gz	ZGDLMHHHRREXLA-UHFFFAOYSA-N	-1	0	287.304	0.964	20	30		CCEDRM
Cn1ncc([N-]S(=O)(=O)c2cccc(C#N)c2)n1	ZINC001259118123	808732845	/nfs/dbraw/zinc/73/28/45/808732845.db2.gz	CSCOEDGXYCHIDO-UHFFFAOYSA-N	-1	0	263.282	0.488	20	30		CCEDRM
Cn1ncc([N-]S(=O)(=O)C2CCCC2)c1C#N	ZINC001259794556	808770888	/nfs/dbraw/zinc/77/08/88/808770888.db2.gz	GVJHJZTUHSISQV-UHFFFAOYSA-N	-1	0	254.315	0.976	20	30		CCEDRM
Cc1cc([N-]S(=O)(=O)c2cnn(C)c2)cnc1C#N	ZINC001259821166	808777372	/nfs/dbraw/zinc/77/73/72/808777372.db2.gz	LPMQYNIXDVLQJX-UHFFFAOYSA-N	-1	0	277.309	0.796	20	30		CCEDRM
Cn1cc(S(=O)(=O)[N-]c2c(C#N)cccc2C#N)cn1	ZINC001259826132	808779128	/nfs/dbraw/zinc/77/91/28/808779128.db2.gz	SOHNTZGULKFWSL-UHFFFAOYSA-N	-1	0	287.304	0.964	20	30		CCEDRM
CCn1cc(S(=O)(=O)[N-]c2onc(C)c2C#N)cn1	ZINC001259831759	808781231	/nfs/dbraw/zinc/78/12/31/808781231.db2.gz	SWSAFTOXOBUNKL-UHFFFAOYSA-N	-1	0	281.297	0.872	20	30		CCEDRM
C=CCS(=O)(=O)[N-]c1snnc1C(=O)OCC	ZINC001259923110	808805751	/nfs/dbraw/zinc/80/57/51/808805751.db2.gz	SIDMCJLWPOLFOV-UHFFFAOYSA-N	-1	0	277.327	0.643	20	30		CCEDRM
C[C@@H](C#N)NS(=O)(=O)c1cc(C(=O)[O-])ccc1F	ZINC001260219139	808856893	/nfs/dbraw/zinc/85/68/93/808856893.db2.gz	GQBISQLRIJUROV-LURJTMIESA-N	-1	0	272.257	0.714	20	30		CCEDRM
CN(CC#N)S(=O)(=O)c1ccc(C(=O)[O-])cc1	ZINC001260225177	808857018	/nfs/dbraw/zinc/85/70/18/808857018.db2.gz	IWVODGRQDOCSSY-UHFFFAOYSA-N	-1	0	254.267	0.529	20	30		CCEDRM
CC[C@@H](C#N)NS(=O)(=O)c1ccc(O)c(C(=O)[O-])c1	ZINC001260402564	808860046	/nfs/dbraw/zinc/86/00/46/808860046.db2.gz	OLPFZHMXPMPGEH-ZETCQYMHSA-N	-1	0	284.293	0.671	20	30		CCEDRM
CS(=O)(=O)CS(=O)(=O)[N-]c1cc(C#N)ccc1F	ZINC001260591880	808870449	/nfs/dbraw/zinc/87/04/49/808870449.db2.gz	QFKUDDKMGATLDU-UHFFFAOYSA-N	-1	0	292.313	0.441	20	30		CCEDRM
C=CC[C@@H](NC(=O)CCCn1cccn1)C(=O)[O-]	ZINC001262176947	809222866	/nfs/dbraw/zinc/22/28/66/809222866.db2.gz	FCGGTYWQCPBQAJ-SNVBAGLBSA-N	-1	0	251.286	0.809	20	30		CCEDRM
C=C[C@H](O)C(=O)N[C@@H]1CCOC2(CC(C(=O)[O-])C2)C1	ZINC001262179442	809225326	/nfs/dbraw/zinc/22/53/26/809225326.db2.gz	PAXQBTZFVBCACQ-YZOMMJAFSA-N	-1	0	269.297	0.062	20	30		CCEDRM
N#C[C@@H](NS(=O)(=O)c1ncc[n-]1)c1ccccc1	ZINC000386227955	809638783	/nfs/dbraw/zinc/63/87/83/809638783.db2.gz	PILQPCJSZVUKRJ-SNVBAGLBSA-N	-1	0	262.294	0.953	20	30		CCEDRM
C=CCOC[C@H](CS(=O)(=O)[O-])Oc1n[nH]c(C)c1C	ZINC001226515128	814026578	/nfs/dbraw/zinc/02/65/78/814026578.db2.gz	RZPJCIQEQBIWLR-SNVBAGLBSA-N	-1	0	290.341	0.864	20	30		CCEDRM
N#Cc1cccc(F)c1OC(=O)[C@H](O)CC(=O)[O-]	ZINC001227287565	814324599	/nfs/dbraw/zinc/32/45/99/814324599.db2.gz	KBRSKXDJNPKORZ-MRVPVSSYSA-N	-1	0	253.185	0.438	20	30		CCEDRM
N#Cc1cc(NC(=N)SCCS(=O)(=O)[O-])ccn1	ZINC001168090660	814627401	/nfs/dbraw/zinc/62/74/01/814627401.db2.gz	NVHJJEMXKKNMKX-UHFFFAOYSA-N	-1	0	286.338	0.343	20	30		CCEDRM
C=CCOC[C@@H](CS(=O)(=O)[O-])Oc1cccoc1=O	ZINC001229087592	814902578	/nfs/dbraw/zinc/90/25/78/814902578.db2.gz	CHUYABGQXMXRHJ-VIFPVBQESA-N	-1	0	290.293	0.478	20	30		CCEDRM
C#CCCN1CC(NC(=O)c2ccc3oc(=O)nc-3[n-]2)C1	ZINC001031251812	816893938	/nfs/dbraw/zinc/89/39/38/816893938.db2.gz	ZXLGCCMOQIYYMR-UHFFFAOYSA-N	-1	0	286.291	0.366	20	30		CCEDRM
C#CCO[N-]C(=O)[C@@H]1CS[C@]2(C)CCC(=O)N12	ZINC000700567681	818802702	/nfs/dbraw/zinc/80/27/02/818802702.db2.gz	SKBHQLISCNLLPQ-GZMMTYOYSA-N	-1	0	254.311	0.121	20	30		CCEDRM
C#CCCCNC(=O)N1C[C@@H](OC)C[C@]1(C)C(=O)[O-]	ZINC000702732146	819168902	/nfs/dbraw/zinc/16/89/02/819168902.db2.gz	PASSRVWYQCTIFU-GXFFZTMASA-N	-1	0	268.313	0.673	20	30		CCEDRM
CO[C@]1(C(=O)[O-])CCN(c2ccc(C#N)c(C)n2)C1	ZINC000703760178	819323268	/nfs/dbraw/zinc/32/32/68/819323268.db2.gz	BLMRCDFSMKDKIS-CYBMUJFWSA-N	-1	0	261.281	0.942	20	30		CCEDRM
C#CC1(O)CCN(C(=O)c2ccc(O)cc2O)CC1	ZINC000708126945	819758765	/nfs/dbraw/zinc/75/87/65/819758765.db2.gz	GCMRZTUCMFQGDC-UHFFFAOYSA-N	-1	0	261.277	0.698	20	30		CCEDRM
C=CCN(CC(=O)[O-])C(=O)NCCc1ccns1	ZINC000709815638	819810488	/nfs/dbraw/zinc/81/04/88/819810488.db2.gz	ZIADKFGYXHHETP-UHFFFAOYSA-N	-1	0	269.326	0.968	20	30		CCEDRM
C=CCN1C[C@@H](NC(=O)c2[nH]nc(C)c2[O-])[C@H](OC)C1	ZINC001081544128	820796477	/nfs/dbraw/zinc/79/64/77/820796477.db2.gz	TUUYRKHXLUJWKY-NXEZZACHSA-N	-1	0	280.328	0.039	20	30		CCEDRM
C#CCCCS(=O)(=O)[N-][C@H](CCO)C(F)(F)F	ZINC001119434097	821306125	/nfs/dbraw/zinc/30/61/25/821306125.db2.gz	AFVKGSIOIBGDFD-MRVPVSSYSA-N	-1	0	273.276	0.633	20	30		CCEDRM
C#C[C@](C)(CC)NC(=O)c1ccc(-c2nn[nH]n2)cn1	ZINC000822635812	821491919	/nfs/dbraw/zinc/49/19/19/821491919.db2.gz	QCEJPRSUENOLCN-CYBMUJFWSA-N	-1	0	270.296	0.793	20	30		CCEDRM
C=CCOCC(COCC=C)Oc1n[nH]c(=O)[n-]1	ZINC001231303312	821517585	/nfs/dbraw/zinc/51/75/85/821517585.db2.gz	HVGXSJZYJSLGDU-UHFFFAOYSA-N	-1	0	255.274	0.663	20	30		CCEDRM
C=CCCC(=O)N[C@@H]1[C@H]2CN(Cc3n[nH]c(=O)[n-]3)C[C@H]21	ZINC001114020219	837406122	/nfs/dbraw/zinc/40/61/22/837406122.db2.gz	HMCHTSURDFOYNW-GDGBQDQQSA-N	-1	0	277.328	0.023	20	30		CCEDRM
N=C(c1nonc1N)N(O)C(=O)CCC(=O)C1=CC=C[CH]1	ZINC001184241110	844185925	/nfs/dbraw/zinc/18/59/25/844185925.db2.gz	KTCIXZJRCWARRX-UHFFFAOYSA-N	-1	0	290.259	0.245	20	30		CCEDRM
C=CCCC(=O)N[C@H]1C[C@H]2CC[C@@H]1N2Cc1n[nH]c(=O)[n-]1	ZINC001109054853	836608164	/nfs/dbraw/zinc/60/81/64/836608164.db2.gz	BUUPNZFPOUEIOF-VWYCJHECSA-N	-1	0	291.355	0.698	20	30		CCEDRM
CN(C)C(=O)CN(C)C(=O)CCC(=O)C1=CC=C[CH]1	ZINC001184244572	844187550	/nfs/dbraw/zinc/18/75/50/844187550.db2.gz	WDRSPDUFPTUBGS-UHFFFAOYSA-N	-1	0	263.317	0.583	20	30		CCEDRM
C[C@@H](Nc1ccncc1C#N)[C@H](C)NC(=O)c1cn[nH]n1	ZINC001113356652	837095569	/nfs/dbraw/zinc/09/55/69/837095569.db2.gz	KJQLVKRZFCUTLX-BDAKNGLRSA-N	-1	0	285.311	0.112	20	30		CCEDRM
C[C@@H](NC(=O)c1cn[nH]n1)[C@@H](C)Nc1cncc(C#N)n1	ZINC001113356504	837096535	/nfs/dbraw/zinc/09/65/35/837096535.db2.gz	IKRYGZLKNQBCRQ-HTQZYQBOSA-N	-1	0	286.299	0.085	20	30		CCEDRM
Cn1ncc(C#N)c1[N-]S(=O)(=O)c1cnc(Cl)nc1	ZINC001184999860	844324635	/nfs/dbraw/zinc/32/46/35/844324635.db2.gz	JCZVUUHZUOMYDJ-UHFFFAOYSA-N	-1	0	298.715	0.536	20	30		CCEDRM
C=CC[C@H](Nc1nccnc1CC(=O)[O-])C(=O)OC	ZINC001158862436	838630459	/nfs/dbraw/zinc/63/04/59/838630459.db2.gz	ZWXYQULEMSWVGF-QMMMGPOBSA-N	-1	0	265.269	0.633	20	30		CCEDRM
N#CCCCC(=O)[N-]S(=O)(=O)Cc1ccccn1	ZINC000813095620	838676108	/nfs/dbraw/zinc/67/61/08/838676108.db2.gz	OKPKWZOCFZADIN-UHFFFAOYSA-N	-1	0	267.310	0.721	20	30		CCEDRM
N#CCCCC(=O)[N-]S(=O)(=O)C[C@@H]1CCCOC1	ZINC000813098823	838676209	/nfs/dbraw/zinc/67/62/09/838676209.db2.gz	SUIBUUNXBMHPTO-SNVBAGLBSA-N	-1	0	274.342	0.553	20	30		CCEDRM
CSc1ncc([O-])c(C(=O)NCCCS)n1	ZINC001185187776	844356697	/nfs/dbraw/zinc/35/66/97/844356697.db2.gz	IEBQVOYFLAKPMY-UHFFFAOYSA-N	-1	0	259.356	0.954	20	30		CCEDRM
CSc1ncc([O-])c(C(=O)N=C(N)c2ncc[nH]2)n1	ZINC001185188150	844357186	/nfs/dbraw/zinc/35/71/86/844357186.db2.gz	UDWKKZVTDPUBGU-UHFFFAOYSA-N	-1	0	278.297	0.173	20	30		CCEDRM
CCOCCS(=O)(=O)[N-]c1cccnc1C#N	ZINC001187243800	844676857	/nfs/dbraw/zinc/67/68/57/844676857.db2.gz	NVCIRHHGZSDRDN-UHFFFAOYSA-N	-1	0	255.299	0.731	20	30		CCEDRM
CCOCCS(=O)(=O)[N-]c1ncc(C#N)nc1C	ZINC001187246812	844679179	/nfs/dbraw/zinc/67/91/79/844679179.db2.gz	WTOOCFVIFBKTCM-UHFFFAOYSA-N	-1	0	270.314	0.435	20	30		CCEDRM
CSCCCCNC(=O)Cn1cc(C#N)c(=O)[n-]c1=O	ZINC001136867779	839792605	/nfs/dbraw/zinc/79/26/05/839792605.db2.gz	DGABTRMGZICVIB-UHFFFAOYSA-N	-1	0	296.352	0.080	20	30		CCEDRM
C[C@@H](CCNC(=O)c1cc(C#N)cn1C)NC(=O)[O-]	ZINC000824803964	839816738	/nfs/dbraw/zinc/81/67/38/839816738.db2.gz	UTDBYIAKXSHZAI-QMMMGPOBSA-N	-1	0	264.285	0.673	20	30		CCEDRM
C=C[C@@H](C)O[N-]C(=O)CNC(=O)c1cccc(O)c1	ZINC001144589226	840093521	/nfs/dbraw/zinc/09/35/21/840093521.db2.gz	JSXYPHTZPOPHEU-SECBINFHSA-N	-1	0	264.281	0.744	20	30		CCEDRM
N#Cc1cn(CCC(=O)NCC2CC=CC2)c(=O)[n-]c1=O	ZINC001147560166	840616232	/nfs/dbraw/zinc/61/62/32/840616232.db2.gz	XZFNSZKASUFAOP-UHFFFAOYSA-N	-1	0	288.307	0.293	20	30		CCEDRM
Cc1coc(NC(=O)c2nccnc2C(N)=O)c1C#N	ZINC001147752345	840682447	/nfs/dbraw/zinc/68/24/47/840682447.db2.gz	OJYGESSCWJMAGN-UHFFFAOYSA-N	-1	0	271.236	0.601	20	30		CCEDRM
N#Cc1c(N)nn(C(=O)c2cccc(O)c2[O-])c1N	ZINC001148212309	840761326	/nfs/dbraw/zinc/76/13/26/840761326.db2.gz	WXPGRFYYXRJNSW-UHFFFAOYSA-N	-1	0	259.225	0.019	20	30		CCEDRM
C[C@H]1CN(O)C(=O)[C@H]1Nc1ccc(C(=O)[O-])c([N+](=O)[O-])c1	ZINC001171368589	840966327	/nfs/dbraw/zinc/96/63/27/840966327.db2.gz	JQEOMHXJPNEBRZ-WKEGUHRASA-N	-1	0	295.251	0.941	20	30		CCEDRM
N#Cc1oc2ccccc2c1NC(=O)Cc1nnn[n-]1	ZINC001176838163	842425922	/nfs/dbraw/zinc/42/59/22/842425922.db2.gz	QZVJPHLKYZNKRN-UHFFFAOYSA-N	-1	0	268.236	0.999	20	30		CCEDRM
O=C(C#Cc1ccc(F)cc1F)NCc1n[nH]c(=O)[n-]1	ZINC001178573256	842881691	/nfs/dbraw/zinc/88/16/91/842881691.db2.gz	DAVHZWPOZPGRKS-UHFFFAOYSA-N	-1	0	278.218	0.456	20	30		CCEDRM
N#Cc1cc(NC(=O)[C@H]2COCCO2)c([O-])cc1F	ZINC001181003145	843367244	/nfs/dbraw/zinc/36/72/44/843367244.db2.gz	VZRJTUULBFUGOH-LLVKDONJSA-N	-1	0	266.228	0.757	20	30		CCEDRM
N#Cc1cc(CC(=O)NCc2n[nH]c(=O)[n-]2)ccc1F	ZINC001181195487	843422421	/nfs/dbraw/zinc/42/24/21/843422421.db2.gz	ILELSAFVMUEZQL-UHFFFAOYSA-N	-1	0	275.243	0.380	20	30		CCEDRM
N#Cc1cccc(C#N)c1[N-]S(=O)(=O)c1c[nH]cn1	ZINC001187755552	844765020	/nfs/dbraw/zinc/76/50/20/844765020.db2.gz	HIQMWQZKHCFWQU-UHFFFAOYSA-N	-1	0	273.277	0.954	20	30		CCEDRM
N#Cc1cc([N-]S(=O)(=O)c2nccs2)ccn1	ZINC001187852922	844783381	/nfs/dbraw/zinc/78/33/81/844783381.db2.gz	DHGMMZQZUWXNCI-UHFFFAOYSA-N	-1	0	266.307	0.632	20	30		CCEDRM
C=C[C@@H]1C[C@]1(NS(=O)(=O)C1CCC1)C(=O)OCC	ZINC001188160826	844849903	/nfs/dbraw/zinc/84/99/03/844849903.db2.gz	NABVXOKBFNPARF-BXKDBHETSA-N	-1	0	273.354	0.966	20	30		CCEDRM
N#C[C@@H]1COCCN1C(=O)c1ccccc1S(=O)(=O)[O-]	ZINC001189689845	845192052	/nfs/dbraw/zinc/19/20/52/845192052.db2.gz	MPDWTFBHFPZOBE-SECBINFHSA-N	-1	0	296.304	0.298	20	30		CCEDRM
C#CC1([N-]S(=O)(=O)c2ncc(F)cc2F)CC1	ZINC001190208008	845367616	/nfs/dbraw/zinc/36/76/16/845367616.db2.gz	DJZHGQNUMPAUBW-UHFFFAOYSA-N	-1	0	258.249	0.804	20	30		CCEDRM
N#Cc1cccc(C(=O)NCC(=O)CCC(=O)[O-])c1F	ZINC001190554215	845425821	/nfs/dbraw/zinc/42/58/21/845425821.db2.gz	ARVCAUWZSJXUIA-UHFFFAOYSA-N	-1	0	278.239	0.861	20	30		CCEDRM
C=C[C@H]1C[C@@]1(NS(=O)(=O)c1ncc[n-]1)C(=O)OCC	ZINC001190748580	845489797	/nfs/dbraw/zinc/48/97/97/845489797.db2.gz	DKRVFPXQZAJNBQ-KWQFWETISA-N	-1	0	285.325	0.196	20	30		CCEDRM
C#Cc1ccccc1C(=O)NCCCc1c[nH][nH]c1=O	ZINC001191116252	845585059	/nfs/dbraw/zinc/58/50/59/845585059.db2.gz	CSBALNBPASFUOM-GFCCVEGCSA-N	-1	0	269.304	0.910	20	30		CCEDRM
CN(CC#N)S(=O)(=O)c1ccc(CCC(=O)[O-])cc1	ZINC001192123866	845788822	/nfs/dbraw/zinc/78/88/22/845788822.db2.gz	KICGXSPMEBXALC-UHFFFAOYSA-N	-1	0	282.321	0.848	20	30		CCEDRM
C[C@@H](C#N)NS(=O)(=O)c1ccc(CCC(=O)[O-])cc1	ZINC001192158658	845795310	/nfs/dbraw/zinc/79/53/10/845795310.db2.gz	IISQDCGJPXRTJD-VIFPVBQESA-N	-1	0	282.321	0.894	20	30		CCEDRM
CCc1c(C)sc([N-]S(=O)(=O)CC#N)c1C(N)=O	ZINC001192935267	845941749	/nfs/dbraw/zinc/94/17/49/845941749.db2.gz	NULVDLGJLQVXRK-UHFFFAOYSA-N	-1	0	287.366	0.983	20	30		CCEDRM
N#CCS(=O)(=O)[N-]c1ccc(OC2CCOCC2)nc1	ZINC001192939468	845943247	/nfs/dbraw/zinc/94/32/47/845943247.db2.gz	QDCUMPBRGJQRLU-UHFFFAOYSA-N	-1	0	297.336	0.905	20	30		CCEDRM
COC(=O)c1ccnc(Cl)c1[N-]S(=O)(=O)CC#N	ZINC001192939803	845943687	/nfs/dbraw/zinc/94/36/87/845943687.db2.gz	YUWMCBSQUUNDAM-UHFFFAOYSA-N	-1	0	289.700	0.787	20	30		CCEDRM
CC1(C)CNC(=O)c2ccc([N-]S(=O)(=O)CC#N)cc21	ZINC001192985442	845945591	/nfs/dbraw/zinc/94/55/91/845945591.db2.gz	DOAUZCLGOWGJBY-UHFFFAOYSA-N	-1	0	293.348	0.973	20	30		CCEDRM
CCOC(=O)[C@H]([N-]S(=O)(=O)CC#N)c1cccnc1	ZINC001193003158	845952902	/nfs/dbraw/zinc/95/29/02/845952902.db2.gz	ZRSDRSPCJXEXBW-SNVBAGLBSA-N	-1	0	283.309	0.129	20	30		CCEDRM
CC(=O)Nc1cc([N-]S(=O)(=O)[C@H](C)C#N)ncn1	ZINC001193104020	845979163	/nfs/dbraw/zinc/97/91/63/845979163.db2.gz	CVKRSQDGBDRQMP-ZCFIWIBFSA-N	-1	0	269.286	0.089	20	30		CCEDRM
Cc1cc(C(N)=O)c([N-]S(=O)(=O)[C@H](C)C#N)s1	ZINC001193104996	845979375	/nfs/dbraw/zinc/97/93/75/845979375.db2.gz	PZLYDWKVNMHWQX-ZCFIWIBFSA-N	-1	0	273.339	0.809	20	30		CCEDRM
CC(=O)c1nn(C)cc1[N-]S(=O)(=O)[C@H](C)C#N	ZINC001193111199	845980396	/nfs/dbraw/zinc/98/03/96/845980396.db2.gz	DCHGMHHTFXPDHW-ZCFIWIBFSA-N	-1	0	256.287	0.276	20	30		CCEDRM
C[C@H](C#N)S(=O)(=O)[N-]c1ccc(F)cc1C(N)=O	ZINC001193150263	846006384	/nfs/dbraw/zinc/00/63/84/846006384.db2.gz	DHLQOCYDIIWKAH-ZCFIWIBFSA-N	-1	0	271.273	0.578	20	30		CCEDRM
C[C@@H](C#N)S(=O)(=O)[N-]c1cccc2c1C(=O)N(C)C2	ZINC001193161850	846009485	/nfs/dbraw/zinc/00/94/85/846009485.db2.gz	UNDJESDOZVBEJA-QMMMGPOBSA-N	-1	0	279.321	0.926	20	30		CCEDRM
N#Cc1cnc([N-]S(=O)(=O)C[C@@H]2CCCO2)cn1	ZINC001193196803	846014992	/nfs/dbraw/zinc/01/49/92/846014992.db2.gz	WBRQMTHJLCXZFO-VIFPVBQESA-N	-1	0	268.298	0.269	20	30		CCEDRM
CCOC(=O)[C@H]([N-]S(=O)(=O)[C@H](C)C#N)c1cccnc1	ZINC001193182582	846026519	/nfs/dbraw/zinc/02/65/19/846026519.db2.gz	OMLLDIGHIHJWOL-MWLCHTKSSA-N	-1	0	297.336	0.517	20	30		CCEDRM
C=CCOC(=O)N[C@@H]1CCCN(C(=O)c2cc(=O)[nH][n-]2)C1	ZINC001193470122	846086443	/nfs/dbraw/zinc/08/64/43/846086443.db2.gz	VFMCMHBILDHXCB-SECBINFHSA-N	-1	0	294.311	0.632	20	30		CCEDRM
C=C[C@H]1C[C@@]1(NC(=O)c1cc(=O)[nH][n-]1)C(=O)OCC	ZINC001193476231	846089053	/nfs/dbraw/zinc/08/90/53/846089053.db2.gz	WHONYXPMPBANSE-MADCSZMMSA-N	-1	0	265.269	0.353	20	30		CCEDRM
N#Cc1cc(C(=O)n2c(N)c(F)ccc2=N)ccc1[O-]	ZINC001193498889	846093224	/nfs/dbraw/zinc/09/32/24/846093224.db2.gz	MTERLPKONMYXRC-UHFFFAOYSA-N	-1	0	272.239	0.955	20	30		CCEDRM
N#Cc1cc(C(=O)Nc2oncc2C(N)=O)ccc1[O-]	ZINC001193498995	846093815	/nfs/dbraw/zinc/09/38/15/846093815.db2.gz	OLCBEUMSRZYRGM-UHFFFAOYSA-N	-1	0	272.220	0.603	20	30		CCEDRM
N#Cc1cccc(C(=O)N2CCNC[C@H]2C#N)c1[O-]	ZINC001193642472	846134974	/nfs/dbraw/zinc/13/49/74/846134974.db2.gz	GFMPHERELNUFKS-SNVBAGLBSA-N	-1	0	256.265	0.201	20	30		CCEDRM
Cn1ccnc1S(=O)(=O)[N-]c1ccc(O)c(C#N)c1	ZINC001193598534	846136624	/nfs/dbraw/zinc/13/66/24/846136624.db2.gz	QRJMORFXKQSQEA-UHFFFAOYSA-N	-1	0	278.293	0.798	20	30		CCEDRM
N#Cc1cccc(C(=O)NCCCc2c[nH][nH]c2=O)c1[O-]	ZINC001193657848	846139467	/nfs/dbraw/zinc/13/94/67/846139467.db2.gz	ITYKWCWXMWBSRH-JTQLQIEISA-N	-1	0	286.291	0.506	20	30		CCEDRM
COC(=O)c1cc(C(=O)Nc2oc(C)nc2C#N)n[n-]1	ZINC001194282456	846262737	/nfs/dbraw/zinc/26/27/37/846262737.db2.gz	IIPLQDJJFABOQN-UHFFFAOYSA-N	-1	0	275.224	0.617	20	30		CCEDRM
COc1ncccc1S(=O)(=O)[N-]c1cnc(C#N)cn1	ZINC001194668200	846351322	/nfs/dbraw/zinc/35/13/22/846351322.db2.gz	YOKZGTBQZZMCDS-UHFFFAOYSA-N	-1	0	291.292	0.553	20	30		CCEDRM
Cc1ccc([O-])c(C(=O)Nc2cn(C)nc2C#N)n1	ZINC001195319868	846506658	/nfs/dbraw/zinc/50/66/58/846506658.db2.gz	UYOMBMKGXVTYOG-UHFFFAOYSA-N	-1	0	257.253	0.953	20	30		CCEDRM
CCNC(=O)CN(C)C(=O)c1ccc(C#N)cc1[O-]	ZINC001195733179	846605112	/nfs/dbraw/zinc/60/51/12/846605112.db2.gz	CMCSPNFEAXUOKR-UHFFFAOYSA-N	-1	0	261.281	0.472	20	30		CCEDRM
N#Cc1ccc(C(=O)N[C@H](CO)C(F)(F)F)c([O-])c1	ZINC001195763825	846612164	/nfs/dbraw/zinc/61/21/64/846612164.db2.gz	DAKIGXXJWMEBPV-SECBINFHSA-N	-1	0	274.198	0.917	20	30		CCEDRM
COC(=O)[C@H](CS)NC(=O)c1ccc(C#N)cc1[O-]	ZINC001195765252	846613564	/nfs/dbraw/zinc/61/35/64/846613564.db2.gz	YXQJLOFIFDATCH-VIFPVBQESA-N	-1	0	280.305	0.465	20	30		CCEDRM
N#Cc1ccc(C(=O)NCCCc2c[nH][nH]c2=O)c([O-])c1	ZINC001195765201	846613983	/nfs/dbraw/zinc/61/39/83/846613983.db2.gz	XCJMYGUIKBRNJP-JTQLQIEISA-N	-1	0	286.291	0.506	20	30		CCEDRM
CCOC(=O)CS(=O)(=O)[N-]c1cc(C#N)cnc1C	ZINC001195942224	846645582	/nfs/dbraw/zinc/64/55/82/846645582.db2.gz	LSHOESCWYGIIRH-UHFFFAOYSA-N	-1	0	283.309	0.567	20	30		CCEDRM
C#CCNC(=O)c1sccc1[N-]S(C)(=O)=O	ZINC001196729819	846795949	/nfs/dbraw/zinc/79/59/49/846795949.db2.gz	QXDKRCRTJPCMIL-UHFFFAOYSA-N	-1	0	258.324	0.483	20	30		CCEDRM
Cc1n[nH]cc1CN(C)Cc1cc(=O)n2[n-]cc(C#N)c2n1	ZINC001196757744	846799556	/nfs/dbraw/zinc/79/95/56/846799556.db2.gz	AEOMCPUYANOMIN-UHFFFAOYSA-N	-1	0	297.322	0.970	20	30		CCEDRM
Cc1ncc(S(=O)(=O)[N-]c2cc(F)cnc2C#N)n1C	ZINC001198361314	847104242	/nfs/dbraw/zinc/10/42/42/847104242.db2.gz	NWJNGYYKFWBRFD-UHFFFAOYSA-N	-1	0	295.299	0.935	20	30		CCEDRM
CC1(C#N)CN(S(=O)(=O)c2ccccc2C(=O)[O-])C1	ZINC001198740145	847155960	/nfs/dbraw/zinc/15/59/60/847155960.db2.gz	ZYCBDQVRXHIHAI-UHFFFAOYSA-N	-1	0	280.305	0.919	20	30		CCEDRM
C=C[C@@H](CO)NS(=O)(=O)c1cccc(C(=O)[O-])c1	ZINC000717427593	848371253	/nfs/dbraw/zinc/37/12/53/848371253.db2.gz	VHLIHNFRAQTLTR-VIFPVBQESA-N	-1	0	271.294	0.210	20	30		CCEDRM
C#CC[C@@H](CO)NC(=O)c1cc(F)c(F)c([O-])c1F	ZINC000717821111	848397439	/nfs/dbraw/zinc/39/74/39/848397439.db2.gz	AOEHBLWQSDIBLF-LURJTMIESA-N	-1	0	273.210	0.924	20	30		CCEDRM
NC(=O)[C@]12C[C@H]1CCN2C(=O)CCC(=O)C1=CC=C[CH]1	ZINC001274661637	848535585	/nfs/dbraw/zinc/53/55/85/848535585.db2.gz	QJPFDTZHJMAYOA-ABAIWWIYSA-N	-1	0	273.312	0.512	20	30		CCEDRM
CC(C)C#CC(=O)NC[C@H](C)N(C)Cc1n[nH]c(=O)[n-]1	ZINC001275817786	848833829	/nfs/dbraw/zinc/83/38/29/848833829.db2.gz	DTVIORYXBMZHFM-JTQLQIEISA-N	-1	0	279.344	0.106	20	30		CCEDRM
N#Cc1cc(C(=O)N[C@@H]2[C@H]3CC[C@H](C3)[C@@H]2C(N)=O)ccc1[O-]	ZINC001276155830	848942188	/nfs/dbraw/zinc/94/21/88/848942188.db2.gz	KQIMFCZEVXJEOU-OBPYKSBLSA-N	-1	0	299.330	0.894	20	30		CCEDRM
C#C[C@@H](CO)N=c1nc[nH]c2sc(C(=O)[O-])c(C)c21	ZINC000718193953	849241788	/nfs/dbraw/zinc/24/17/88/849241788.db2.gz	SPCZSWCVXWUNLV-ZETCQYMHSA-N	-1	0	277.305	0.526	20	30		CCEDRM
C=CCNC(=O)CNC(=O)Nc1ccc(C(=O)[O-])c(F)c1	ZINC000393829754	850859886	/nfs/dbraw/zinc/85/98/86/850859886.db2.gz	XKDNYTOGZYYQHQ-UHFFFAOYSA-N	-1	0	295.270	0.948	20	30		CCEDRM
CN1CCc2c(sc([N-]S(N)(=O)=O)c2C#N)C1	ZINC001260074427	851973729	/nfs/dbraw/zinc/97/37/29/851973729.db2.gz	HIECNOWAJMIUGG-UHFFFAOYSA-N	-1	0	272.355	0.223	20	30		CCEDRM
Cc1n[nH]c(C(=O)N[C@@H]2CCCN(CC#N)CC2)c1[O-]	ZINC001052311201	853730163	/nfs/dbraw/zinc/73/01/63/853730163.db2.gz	HRVIZAIIUSUAMF-SNVBAGLBSA-N	-1	0	277.328	0.532	20	30		CCEDRM
CNC(=O)C(C#N)=C([O-])c1cnn(-c2ccccc2)n1	ZINC000133438581	853841279	/nfs/dbraw/zinc/84/12/79/853841279.db2.gz	WNRNZHUBMKWHKI-SNVBAGLBSA-N	-1	0	269.264	0.336	20	30		CCEDRM
Cc1nnc(N=NC2CCC[C@@H](S(C)(=O)=O)C2)[n-]c1=O	ZINC001116854031	855848441	/nfs/dbraw/zinc/84/84/41/855848441.db2.gz	QFPXLVVDUMMEGE-SECBINFHSA-N	-1	0	299.356	0.641	20	30		CCEDRM
C=CC[C@H](NC(=O)CCn1cc([N+](=O)[O-])cn1)C(=O)[O-]	ZINC001116921926	855868615	/nfs/dbraw/zinc/86/86/15/855868615.db2.gz	JXMYJHRUGYJPQN-VIFPVBQESA-N	-1	0	282.256	0.327	20	30		CCEDRM
N#CCCCS(=O)(=O)[N-]C(=O)CCc1ncccn1	ZINC001117701215	856051146	/nfs/dbraw/zinc/05/11/46/856051146.db2.gz	VCOWPPGUCHDBDO-UHFFFAOYSA-N	-1	0	282.325	0.159	20	30		CCEDRM
C=CC[C@H](NC(=O)[C@]12C[C@H]1COC2(C)C)C(=O)[O-]	ZINC001118544299	856334458	/nfs/dbraw/zinc/33/44/58/856334458.db2.gz	FQZLWTTVMNNFIF-RVBZMBCESA-N	-1	0	253.298	0.947	20	30		CCEDRM
CC[C@]1(C)NC(=O)N([N-]C(=O)c2csc(C#N)c2)C1=O	ZINC001118757415	856426905	/nfs/dbraw/zinc/42/69/05/856426905.db2.gz	GYZAVJBVIOWEQZ-LBPRGKRZSA-N	-1	0	292.320	0.985	20	30		CCEDRM
C=CC[C@@H](NC(=O)[C@@H]1CCc2n[nH]cc2C1)C(=O)[O-]	ZINC001119581128	856752869	/nfs/dbraw/zinc/75/28/69/856752869.db2.gz	WZBMMDXTJOHSJS-LDYMZIIASA-N	-1	0	263.297	0.660	20	30		CCEDRM
C=CCC1(C(=O)N2CC[C@](O)(C(=O)[O-])C2)CCOCC1	ZINC001119585449	856756208	/nfs/dbraw/zinc/75/62/08/856756208.db2.gz	ONMRRTALPNVELF-CQSZACIVSA-N	-1	0	283.324	0.407	20	30		CCEDRM
C=CC[C@H](NC(=O)c1cc([C@H]2CCCN2C)n[nH]1)C(=O)[O-]	ZINC001119644475	856805930	/nfs/dbraw/zinc/80/59/30/856805930.db2.gz	KQVNFIGHEVMVOR-JOYOIKCWSA-N	-1	0	292.339	0.936	20	30		CCEDRM
CCS(=O)(=O)[N-]c1nc2n(c1C#N)CCOC2	ZINC001120261165	857022129	/nfs/dbraw/zinc/02/21/29/857022129.db2.gz	ZPOAWCRAGMGYTD-UHFFFAOYSA-N	-1	0	256.287	0.047	20	30		CCEDRM
CC[C@H](CC#N)NS(=O)(=O)C1(C(=O)[O-])CCC1	ZINC001595030863	979171074	/nfs/dbraw/zinc/17/10/74/979171074.db2.gz	YUTCSKSOFMFPIW-MRVPVSSYSA-N	-1	0	260.315	0.605	20	30		CCEDRM
C=CCCC[C@H](C)NC(=O)C(=O)[N-]OC[C@@H]1CCOC1	ZINC001323547647	912405181	/nfs/dbraw/zinc/40/51/81/912405181.db2.gz	FINDURQWKZTBHU-NWDGAFQWSA-N	-1	0	284.356	0.932	20	30		CCEDRM
COc1cc(O)ccc1C=Nn1c(=O)[n-][nH]c1=O	ZINC001324217852	912725751	/nfs/dbraw/zinc/72/57/51/912725751.db2.gz	XBQWFJNASLMIIU-UHFFFAOYSA-N	-1	0	250.214	0.286	20	30		CCEDRM
C#CCCOc1ccc(C(=O)[N-]S(=O)(=O)N(C)C)cc1	ZINC001324552534	912900247	/nfs/dbraw/zinc/90/02/47/912900247.db2.gz	CECLVEDDDONVAW-UHFFFAOYSA-N	-1	0	296.348	0.625	20	30		CCEDRM
N#Cc1ccc(CC(=O)NCc2nc(=O)o[n-]2)cc1	ZINC001324620623	912946601	/nfs/dbraw/zinc/94/66/01/912946601.db2.gz	JXPIEBXWFPFZDC-UHFFFAOYSA-N	-1	0	258.237	0.093	20	30		CCEDRM
C#CCC1(C(=O)NCc2nc(=O)o[n-]2)CCCCC1	ZINC001326203626	913821450	/nfs/dbraw/zinc/82/14/50/913821450.db2.gz	BLXJAOFQEZIHHO-UHFFFAOYSA-N	-1	0	263.297	0.953	20	30		CCEDRM
COC(=O)c1cc(S(=O)(=O)NCC2(C#N)CCC2)n[nH]1	ZINC001365422315	895945447	/nfs/dbraw/zinc/94/54/47/895945447.db2.gz	KIMFTRFIAZADTR-UHFFFAOYSA-N	-1	0	298.324	0.168	20	30		CCEDRM
Cc1ccc(CNc2[n-]c(=O)n(C)c(=O)c2C#N)nc1	ZINC001434448028	897302769	/nfs/dbraw/zinc/30/27/69/897302769.db2.gz	GWBMNUYFWODNGY-UHFFFAOYSA-N	-1	0	271.280	0.261	20	30		CCEDRM
CC[C@@H](C)[C@](C)(O)CNc1[n-]c(=O)n(C)c(=O)c1C#N	ZINC001364532025	898161226	/nfs/dbraw/zinc/16/12/26/898161226.db2.gz	JOBVMLNEPNMJTN-AMIZOPFISA-N	-1	0	280.328	0.154	20	30		CCEDRM
C[C@@H](C#N)CNC(=O)c1cccc(-c2nc(=O)o[n-]2)c1	ZINC001411805045	901263850	/nfs/dbraw/zinc/26/38/50/901263850.db2.gz	WUJLPUCOUQGTMD-QMMMGPOBSA-N	-1	0	272.264	0.919	20	30		CCEDRM
CSc1[n-]c(=O)c(C(=O)N2CC=C(N)N2)cc1C#N	ZINC001412310160	901635505	/nfs/dbraw/zinc/63/55/05/901635505.db2.gz	NKHPOWLMTKIVDE-UHFFFAOYSA-N	-1	0	277.309	0.141	20	30		CCEDRM
CN(C(=O)CSc1n[nH]c(=O)[n-]1)[C@@H]1CCC[C@H]1C#N	ZINC001412443629	901725540	/nfs/dbraw/zinc/72/55/40/901725540.db2.gz	MAVXBIYITFUPTI-JGVFFNPUSA-N	-1	0	281.341	0.753	20	30		CCEDRM
CN(C(=O)CSc1n[nH]c(=O)[n-]1)[C@H]1CCC[C@@H]1C#N	ZINC001412443630	901725620	/nfs/dbraw/zinc/72/56/20/901725620.db2.gz	MAVXBIYITFUPTI-SFYZADRCSA-N	-1	0	281.341	0.753	20	30		CCEDRM
CN(C(=O)CSc1n[nH]c(=O)[n-]1)[C@@H]1CCC[C@@H]1C#N	ZINC001412443626	901726396	/nfs/dbraw/zinc/72/63/96/901726396.db2.gz	MAVXBIYITFUPTI-HTQZYQBOSA-N	-1	0	281.341	0.753	20	30		CCEDRM
C[C@@H](CC(=O)[O-])NC(=O)CC1(C#N)CCOCC1	ZINC001327530905	914597610	/nfs/dbraw/zinc/59/76/10/914597610.db2.gz	BFQMGWKPRRNJFX-VIFPVBQESA-N	-1	0	254.286	0.676	20	30		CCEDRM
C[C@@H]1C[C@H](Nc2[n-]c(=O)n(C)c(=O)c2C#N)c2nccn21	ZINC001412886913	902331820	/nfs/dbraw/zinc/33/18/20/902331820.db2.gz	YIMBNVJSAQDFGS-APPZFPTMSA-N	-1	0	286.295	0.260	20	30		CCEDRM
N#Cc1c[n-]n2c1nc(CN1CC[C@@](F)(C#N)C1)cc2=O	ZINC001412977105	902425104	/nfs/dbraw/zinc/42/51/04/902425104.db2.gz	ONOGNVSUOLQHJL-CYBMUJFWSA-N	-1	0	286.270	0.744	20	30		CCEDRM
N#Cc1nc(NC(=O)[C@@]2(C#N)CCCOC2)[n-]c1C#N	ZINC001413192819	902775604	/nfs/dbraw/zinc/77/56/04/902775604.db2.gz	JTSKMRCNRWDGNV-GFCCVEGCSA-N	-1	0	270.252	0.412	20	30		CCEDRM
C=CCCC(=O)NC[C@H](C)CNC(=O)c1[nH]nc(C)c1[O-]	ZINC001285214682	905575540	/nfs/dbraw/zinc/57/55/40/905575540.db2.gz	FFZCLOIWFIJUCB-VIFPVBQESA-N	-1	0	294.355	0.872	20	30		CCEDRM
C=CCOC[C@@H](NCc1cc(C)nn1C)C(=O)[O-]	ZINC001334778322	906374743	/nfs/dbraw/zinc/37/47/43/906374743.db2.gz	YWSXQJNVEFEJKX-LLVKDONJSA-N	-1	0	253.302	0.474	20	30		CCEDRM
C#CCN1CCC[C@H](NC(=O)c2c[n-]ncc2=O)C1	ZINC001337355018	921239646	/nfs/dbraw/zinc/23/96/46/921239646.db2.gz	FFRBZUCBZOCTGA-JTQLQIEISA-N	-1	0	260.297	0.010	20	30		CCEDRM
C#CC1CCN(S(=O)(=O)C[C@H](C)C(=O)[O-])CC1	ZINC001588382965	983376294	/nfs/dbraw/zinc/37/62/94/983376294.db2.gz	LNLUMTXKLKREFS-VIFPVBQESA-N	-1	0	259.327	0.382	20	30		CCEDRM
CC(C)(CO)O[N-]C(=O)CNc1ccc(C#N)cn1	ZINC001298079122	907152643	/nfs/dbraw/zinc/15/26/43/907152643.db2.gz	WSWKWUYAOAQEGE-UHFFFAOYSA-N	-1	0	264.285	0.184	20	30		CCEDRM
CN(C[C@@H]1CC1(C)C)c1[n-]c(=O)n(C)c(=O)c1C#N	ZINC001338043637	921349237	/nfs/dbraw/zinc/34/92/37/921349237.db2.gz	UARLWNQJQGSCMN-QMMMGPOBSA-N	-1	0	262.313	0.428	20	30		CCEDRM
C=C[C@H](C)O[N-]C(=O)C(=O)Nc1ccnn1[C@H]1CCOC1	ZINC001338237808	921403947	/nfs/dbraw/zinc/40/39/47/921403947.db2.gz	UGQWGGBSTZVSJD-UWVGGRQHSA-N	-1	0	294.311	0.405	20	30		CCEDRM
CO[N-]C(=O)CNC(=O)Nc1nc(Cl)c(C#N)s1	ZINC001310857368	908521112	/nfs/dbraw/zinc/52/11/12/908521112.db2.gz	LZUCQNLNKUHQPU-UHFFFAOYSA-N	-1	0	289.704	0.467	20	30		CCEDRM
COCCCC(=O)[N-]S(=O)(=O)c1ccccc1C#N	ZINC001317878433	909532097	/nfs/dbraw/zinc/53/20/97/909532097.db2.gz	RDBZEOHOERJOFR-UHFFFAOYSA-N	-1	0	282.321	0.790	20	30		CCEDRM
CC1(NC(=O)CCn2cc(C#N)c(=O)[n-]c2=O)CCC1	ZINC001417682748	921528248	/nfs/dbraw/zinc/52/82/48/921528248.db2.gz	ASLQETMDLVZPLH-UHFFFAOYSA-N	-1	0	276.296	0.269	20	30		CCEDRM
COCCOCC(C)N=Nc1nnc(C)c(=O)[n-]1	ZINC001318722720	909869991	/nfs/dbraw/zinc/86/99/91/909869991.db2.gz	UMSUHOCJHHXZOL-UHFFFAOYSA-N	-1	0	255.278	0.336	20	30		CCEDRM
Cc1nnc([S-])n(N=Cc2ncc(Cl)n2C)c1=O	ZINC001321179619	911137235	/nfs/dbraw/zinc/13/72/35/911137235.db2.gz	HJZABLDSCSSFPS-UHFFFAOYSA-N	-1	0	284.732	0.505	20	30		CCEDRM
CCN(C(=O)[C@@H](C)C#N)[C@@H]1CCN(Cc2n[nH]c(=O)[n-]2)C1	ZINC001391635797	911285426	/nfs/dbraw/zinc/28/54/26/911285426.db2.gz	IJZPOZURESSSHS-VHSXEESVSA-N	-1	0	292.343	0.093	20	30		CCEDRM
C=CC[C@@H](NC(=O)CCn1cc(C)cn1)C(=O)[O-]	ZINC001321658509	911425610	/nfs/dbraw/zinc/42/56/10/911425610.db2.gz	ULHOSIHEQDQJSP-SNVBAGLBSA-N	-1	0	251.286	0.727	20	30		CCEDRM
C=CC[C@H](NC(=O)CCOC[C@H]1CCCO1)C(=O)[O-]	ZINC001321658517	911427716	/nfs/dbraw/zinc/42/77/16/911427716.db2.gz	UPMWBLIQHYQVBN-MNOVXSKESA-N	-1	0	271.313	0.718	20	30		CCEDRM
C=CC[C@@H](NS(=O)(=O)C[C@@H](C)OC)C(=O)OCC	ZINC001321679859	911443341	/nfs/dbraw/zinc/44/33/41/911443341.db2.gz	PRNAIPBZFPOQKE-NXEZZACHSA-N	-1	0	279.358	0.449	20	30		CCEDRM
CC/C=C(\C)C(=O)N1CC(n2cc(C#N)c(=O)[n-]c2=O)C1	ZINC001339317430	921701226	/nfs/dbraw/zinc/70/12/26/921701226.db2.gz	YMLVLEGFYJWLGV-RUDMXATFSA-N	-1	0	288.307	0.560	20	30		CCEDRM
CCS(=O)(=O)[N-]C(=O)c1cccc(C#N)c1C	ZINC001322746484	911932212	/nfs/dbraw/zinc/93/22/12/911932212.db2.gz	NANNHVJPOSPKDV-UHFFFAOYSA-N	-1	0	252.295	0.946	20	30		CCEDRM
C=CC[C@@H](NC(=O)c1ccnc(N2CCCC2)n1)C(=O)[O-]	ZINC001339523959	921748839	/nfs/dbraw/zinc/74/88/39/921748839.db2.gz	NPAYFWQXSSCUGZ-LLVKDONJSA-N	-1	0	290.323	0.836	20	30		CCEDRM
C=CCn1c(Cc2nn[nH]n2)nnc1N1CC[C@@H](C)[C@H]1C	ZINC001339569424	921762985	/nfs/dbraw/zinc/76/29/85/921762985.db2.gz	BCDNPGRFHKGITP-NXEZZACHSA-N	-1	0	288.359	0.803	20	30		CCEDRM
Cc1nnc([S-])n(N=Cc2ccc(C#N)o2)c1=O	ZINC001339605340	921776782	/nfs/dbraw/zinc/77/67/82/921776782.db2.gz	RMUTUOYXQADTFB-UHFFFAOYSA-N	-1	0	261.266	0.582	20	30		CCEDRM
C#C[C@@H](NC(=O)NCCOCCOCC(=O)[O-])C(C)C	ZINC001339724362	921807437	/nfs/dbraw/zinc/80/74/37/921807437.db2.gz	KDPATQKEGZAGSV-LLVKDONJSA-N	-1	0	286.328	0.061	20	30		CCEDRM
C=CCO[C@H]1CCN(C(=O)[C@H]2CC[C@H]2C(=O)[O-])C1	ZINC001330726837	916817509	/nfs/dbraw/zinc/81/75/09/916817509.db2.gz	AYSZVGADAUNEIC-GARJFASQSA-N	-1	0	253.298	0.901	20	30		CCEDRM
C=CC[C@@H](NC(=O)c1ccnc2c1nnn2C)C(=O)[O-]	ZINC001331897737	917699089	/nfs/dbraw/zinc/69/90/89/917699089.db2.gz	ZFTWTHOGZKGNDX-MRVPVSSYSA-N	-1	0	275.268	0.122	20	30		CCEDRM
C=C(C)C[C@@H](NC(=O)C[C@H]1CCS(=O)(=O)C1)C(=O)[O-]	ZINC001331897694	917699915	/nfs/dbraw/zinc/69/99/15/917699915.db2.gz	YTGBTHRMWOKQFX-NXEZZACHSA-N	-1	0	289.353	0.347	20	30		CCEDRM
C=CC[C@@H](NC(=O)[C@H](C)N1CCSCC1)C(=O)[O-]	ZINC001332135660	917891964	/nfs/dbraw/zinc/89/19/64/917891964.db2.gz	KNGODGZFQNZZJZ-VHSXEESVSA-N	-1	0	272.370	0.569	20	30		CCEDRM
C=CC[C@H](NC(=O)[C@H](OC)c1cnn(C)c1)C(=O)[O-]	ZINC001332135796	917895512	/nfs/dbraw/zinc/89/55/12/917895512.db2.gz	LHXAAKGPGXTGQL-VHSXEESVSA-N	-1	0	267.285	0.253	20	30		CCEDRM
C#CC[C@H](NC(=O)c1cc([C@@H]2CCCN2C)n[nH]1)C(=O)[O-]	ZINC001332625713	918326627	/nfs/dbraw/zinc/32/66/27/918326627.db2.gz	YXRIIBOCLKFJAL-CABZTGNLSA-N	-1	0	290.323	0.383	20	30		CCEDRM
C#CC[C@@H](NC(=O)[C@H]1CCCc2nn(C)cc21)C(=O)[O-]	ZINC001334998367	919887670	/nfs/dbraw/zinc/88/76/70/919887670.db2.gz	QNZKXRVGNUFQJH-JOYOIKCWSA-N	-1	0	275.308	0.433	20	30		CCEDRM
N#CC1(C(=O)NC[C@H]2CCO[C@H]2C(=O)[O-])CCC1	ZINC001335190163	920005897	/nfs/dbraw/zinc/00/58/97/920005897.db2.gz	IMDXKRHRDBNMAO-RKDXNWHRSA-N	-1	0	252.270	0.286	20	30		CCEDRM
CCC1CCN(c2[n-]c(=O)n(C)c(=O)c2C#N)CC1	ZINC001336485374	920797313	/nfs/dbraw/zinc/79/73/13/920797313.db2.gz	GXHJJXWHSUVEJP-UHFFFAOYSA-N	-1	0	262.313	0.572	20	30		CCEDRM
C[C@H]1SCC[C@@H]1Nc1[n-]c(=O)n(C)c(=O)c1C#N	ZINC001336664453	920914562	/nfs/dbraw/zinc/91/45/62/920914562.db2.gz	HIUZBMVKJPXJGO-SVRRBLITSA-N	-1	0	266.326	0.251	20	30		CCEDRM
CC(C)(C(=O)Nc1nc(C#N)c(C#N)[n-]1)N1CCOCC1	ZINC001418238198	921954063	/nfs/dbraw/zinc/95/40/63/921954063.db2.gz	QDBOJOCVUJIQNU-UHFFFAOYSA-N	-1	0	288.311	0.202	20	30		CCEDRM
C=CCn1c(-c2cc(=O)[nH][n-]2)nnc1N1CCC=C(C)C1	ZINC001340561584	922122673	/nfs/dbraw/zinc/12/26/73/922122673.db2.gz	PWIVBAUZLHEFAX-UHFFFAOYSA-N	-1	0	286.339	0.845	20	30		CCEDRM
CC(C)OCCCNC(=O)C(C#N)=C([O-])c1cncn1C	ZINC001341916350	922724943	/nfs/dbraw/zinc/72/49/43/922724943.db2.gz	ANDJPFZKVHPKEW-LLVKDONJSA-N	-1	0	292.339	0.674	20	30		CCEDRM
C=CCNC(=O)C(C#N)=C([O-])c1ccnc2c1ncn2C	ZINC001341932107	922728034	/nfs/dbraw/zinc/72/80/34/922728034.db2.gz	ZJHSEHMHIBEKOG-JTQLQIEISA-N	-1	0	283.291	0.593	20	30		CCEDRM
C=CCn1cc(C([O-])=C(C#N)c2nccn2C)nn1	ZINC001342269615	922883413	/nfs/dbraw/zinc/88/34/13/922883413.db2.gz	WXHASJOPFNKSDE-VIFPVBQESA-N	-1	0	256.269	0.688	20	30		CCEDRM
COc1cc(C([O-])=C(C#N)C(=O)N2CCCC2)nn1C	ZINC001342595647	923016214	/nfs/dbraw/zinc/01/62/14/923016214.db2.gz	NJBGQSAYVBYGSO-VIFPVBQESA-N	-1	0	276.296	0.374	20	30		CCEDRM
N#CC(C(=O)Nc1ccccn1)=C([O-])c1coc(C(N)=O)c1	ZINC001342595124	923016591	/nfs/dbraw/zinc/01/65/91/923016591.db2.gz	HZJFTWCQCBEZPH-VIFPVBQESA-N	-1	0	298.258	0.735	20	30		CCEDRM
COC(=O)c1cc(C([O-])=C(C#N)C(=O)NC2CC2)on1	ZINC001343462820	923327716	/nfs/dbraw/zinc/32/77/16/923327716.db2.gz	LBORDJMZQKHCPN-SSDOTTSWSA-N	-1	0	277.236	0.062	20	30		CCEDRM
COCCNC(=O)C(C#N)=C([O-])c1cnc2nccnc2c1	ZINC001343461405	923329618	/nfs/dbraw/zinc/32/96/18/923329618.db2.gz	AUWLOJACODARPT-JTQLQIEISA-N	-1	0	299.290	0.110	20	30		CCEDRM
CNC(=O)C(C#N)=C([O-])c1cncc(N2CCCC2=O)c1	ZINC001343500622	923352984	/nfs/dbraw/zinc/35/29/84/923352984.db2.gz	KERLHKDKHBHZTQ-LLVKDONJSA-N	-1	0	286.291	0.277	20	30		CCEDRM
CNC(=O)C(C#N)=C([O-])c1cccc2c1CCOC2	ZINC001343538615	923368180	/nfs/dbraw/zinc/36/81/80/923368180.db2.gz	IXSABVKQBNKFGY-LBPRGKRZSA-N	-1	0	258.277	0.828	20	30		CCEDRM
C=CCCC[C@@H](NC(=O)CN1CCC(CO)CC1)C(=O)[O-]	ZINC001344539746	923631869	/nfs/dbraw/zinc/63/18/69/923631869.db2.gz	AKAUZUYICDUNTE-CYBMUJFWSA-N	-1	0	298.383	0.616	20	30		CCEDRM
C=CCNC(=O)C(C#N)=C([O-])c1cc(CC)n(C)n1	ZINC001346064370	924063124	/nfs/dbraw/zinc/06/31/24/924063124.db2.gz	ANAIAPJPAITLMA-SNVBAGLBSA-N	-1	0	260.297	0.607	20	30		CCEDRM
C=CCN(CC1(CC(=O)[O-])CC1)[C@@H]1CCS(=O)(=O)C1	ZINC001346241507	924128710	/nfs/dbraw/zinc/12/87/10/924128710.db2.gz	LIXGXNVCTYPZLE-LLVKDONJSA-N	-1	0	287.381	0.916	20	30		CCEDRM
C#CC[C@@H]1CCN(C(=O)c2c[n-]n3c2nccc3=O)C1	ZINC001348395655	924676915	/nfs/dbraw/zinc/67/69/15/924676915.db2.gz	CBEADQOWAXOOAO-SNVBAGLBSA-N	-1	0	270.292	0.508	20	30		CCEDRM
Cn1nc2c(c1C=NNCC(=O)[O-])CSCC2	ZINC001349816871	925069243	/nfs/dbraw/zinc/06/92/43/925069243.db2.gz	DLBKPOYAKNRCNQ-UHFFFAOYSA-N	-1	0	254.315	0.218	20	30		CCEDRM
C=CC(C)(C)CCCNC(=O)C(=O)NCCC(=O)[O-]	ZINC001349948128	925104294	/nfs/dbraw/zinc/10/42/94/925104294.db2.gz	ZFDUZGMHUQFBCR-UHFFFAOYSA-N	-1	0	270.329	0.686	20	30		CCEDRM
C=CC[C@@H](NC(=O)NCCOC[C@H]1CCCO1)C(=O)[O-]	ZINC001350758526	925270305	/nfs/dbraw/zinc/27/03/05/925270305.db2.gz	HTZBKNYRGQQDPN-GHMZBOCLSA-N	-1	0	286.328	0.511	20	30		CCEDRM
CCn1cc(C=Nn2c(=O)c(C)n[n-]c2=S)c(C)n1	ZINC001352725457	925622147	/nfs/dbraw/zinc/62/21/47/925622147.db2.gz	KDJHAUKIKNQPHX-UHFFFAOYSA-N	-1	0	278.341	0.642	20	30		CCEDRM
C#CCCCC(=O)N1CCN([C@]2(C(=O)[O-])CCOC2)CC1	ZINC001354057534	925999936	/nfs/dbraw/zinc/99/99/36/925999936.db2.gz	JZGNFGVCRSAPPQ-OAHLLOKOSA-N	-1	0	294.351	0.178	20	30		CCEDRM
CC[C@@H](C)[C@H](C)Nc1[n-]c(=O)n(C)c(=O)c1C#N	ZINC001354090001	926011903	/nfs/dbraw/zinc/01/19/03/926011903.db2.gz	NDVLNLIUDCRIKI-SFYZADRCSA-N	-1	0	250.302	0.792	20	30		CCEDRM
Cc1c([C@@H](C)Nc2[n-]c(=O)n(C)c(=O)c2C#N)cnn1C	ZINC001413881627	926759301	/nfs/dbraw/zinc/75/93/01/926759301.db2.gz	UOGABAWRZXOSGD-SSDOTTSWSA-N	-1	0	288.311	0.160	20	30		CCEDRM
C[C@H](CC#N)NC(=O)c1ccc(-n2[nH]c(=O)[n-]c2=O)cc1	ZINC001361950984	927469892	/nfs/dbraw/zinc/46/98/92/927469892.db2.gz	SBOUEYYLMAYFKU-MRVPVSSYSA-N	-1	0	287.279	0.298	20	30		CCEDRM
CCC1(CNC(=O)CCn2cc(C#N)c(=O)[n-]c2=O)CC1	ZINC001362020000	927527468	/nfs/dbraw/zinc/52/74/68/927527468.db2.gz	XUYALBJCMJWJBJ-UHFFFAOYSA-N	-1	0	290.323	0.517	20	30		CCEDRM
CCN(CCC#N)C(=O)c1cccc(-n2[n-]nnc2=N)c1	ZINC001362080980	927592811	/nfs/dbraw/zinc/59/28/11/927592811.db2.gz	UPBCAOAZCICNKQ-UHFFFAOYSA-N	-1	0	285.311	0.451	20	30		CCEDRM
Cn1[n-]c(C(=O)NCc2cccc(OCC#N)c2)cc1=O	ZINC001362144924	927662905	/nfs/dbraw/zinc/66/29/05/927662905.db2.gz	HKPUZBDUWCYASC-UHFFFAOYSA-N	-1	0	286.291	0.958	20	30		CCEDRM
Cc1cc(C#N)c(=O)[n-]c1C(=O)N1CCC(C)(O)CC1	ZINC001362152443	927672190	/nfs/dbraw/zinc/67/21/90/927672190.db2.gz	MGORJENHSSZGCK-UHFFFAOYSA-N	-1	0	275.308	0.954	20	30		CCEDRM
Cc1cc(C#N)c(=O)[n-]c1C(=O)NCC[C@@H](C)[S@](C)=O	ZINC001362230734	927754180	/nfs/dbraw/zinc/75/41/80/927754180.db2.gz	VRUWLTKSVLEIGU-YBYGRFCBSA-N	-1	0	295.364	0.854	20	30		CCEDRM
Cc1cc(C#N)c(=O)[n-]c1C(=O)Nc1cc(C(N)=O)n(C)c1	ZINC001362260445	927792256	/nfs/dbraw/zinc/79/22/56/927792256.db2.gz	LALARNHTOYYQCV-UHFFFAOYSA-N	-1	0	299.290	0.657	20	30		CCEDRM
N#CC[C@H](C(=O)NCCc1nc(=O)o[n-]1)c1ccccc1	ZINC001362402011	927970569	/nfs/dbraw/zinc/97/05/69/927970569.db2.gz	OCUCVDYUNXIHCY-NSHDSACASA-N	-1	0	286.291	0.719	20	30		CCEDRM
CC[C@H](CSC)NC(=O)Cn1cc(C#N)c(=O)[n-]c1=O	ZINC001362426624	928002183	/nfs/dbraw/zinc/00/21/83/928002183.db2.gz	SGZQKSQVGFPAEX-SECBINFHSA-N	-1	0	296.352	0.078	20	30		CCEDRM
CN(C)c1cc(C#N)cc(C(=O)Nn2c(=O)[n-][nH]c2=O)c1	ZINC001362506264	928112550	/nfs/dbraw/zinc/11/25/50/928112550.db2.gz	VHLZHQOBDPIPTO-UHFFFAOYSA-N	-1	0	288.267	0.011	20	30		CCEDRM
N#Cc1c(F)cc(C(=O)NCCc2nc(=O)o[n-]2)cc1F	ZINC001362591575	928222081	/nfs/dbraw/zinc/22/20/81/928222081.db2.gz	MTIARPWXCMPXJU-UHFFFAOYSA-N	-1	0	294.217	0.485	20	30		CCEDRM
CNC(=O)[C@@H](NC(=O)c1[n-]c(=O)c(C#N)cc1C)C(C)C	ZINC001362783067	928483780	/nfs/dbraw/zinc/48/37/80/928483780.db2.gz	HAORHGDISPTDLS-JTQLQIEISA-N	-1	0	290.323	0.468	20	30		CCEDRM
Cc1ccoc1CNC(=O)Cn1cc(C#N)c(=O)[n-]c1=O	ZINC001362785482	928486908	/nfs/dbraw/zinc/48/69/08/928486908.db2.gz	MVBJOQBUMUQVJH-UHFFFAOYSA-N	-1	0	288.263	0.038	20	30		CCEDRM
N#Cc1cn(CC(=O)NC2CC3(CCC3)C2)c(=O)[n-]c1=O	ZINC001362897887	928626280	/nfs/dbraw/zinc/62/62/80/928626280.db2.gz	HZGZGSSPMHDJFV-UHFFFAOYSA-N	-1	0	288.307	0.269	20	30		CCEDRM
COC[C@@H]1COCCN1C(=O)c1[n-]c(=O)c(C#N)cc1C	ZINC001362959359	928699317	/nfs/dbraw/zinc/69/93/17/928699317.db2.gz	SQKLBACQILKLME-LLVKDONJSA-N	-1	0	291.307	0.455	20	30		CCEDRM
CC[C@H](C)[C@@H](C)C(=O)NCCn1cc(C#N)c(=O)[n-]c1=O	ZINC001363127961	928900656	/nfs/dbraw/zinc/90/06/56/928900656.db2.gz	JVYTVRQMARJQPR-VHSXEESVSA-N	-1	0	292.339	0.619	20	30		CCEDRM
N#Cc1nc(NC(=O)COc2ccc(CO)cc2)[n-]c1C#N	ZINC001363159738	928932862	/nfs/dbraw/zinc/93/28/62/928932862.db2.gz	PGLYFAKISJZRAK-UHFFFAOYSA-N	-1	0	297.274	0.663	20	30		CCEDRM
Cc1cc(C#N)c(=O)[n-]c1C(=O)NCCN(C)CC(F)F	ZINC001363169849	928940345	/nfs/dbraw/zinc/94/03/45/928940345.db2.gz	BICMEACDUVBNIL-UHFFFAOYSA-N	-1	0	298.293	0.894	20	30		CCEDRM
Cc1cc(C#N)c(=O)[n-]c1C(=O)N[C@@H]1C(=O)NCC1(C)C	ZINC001363288574	929082574	/nfs/dbraw/zinc/08/25/74/929082574.db2.gz	SNMISCZIMIPLFJ-SNVBAGLBSA-N	-1	0	288.307	0.222	20	30		CCEDRM
COC[C@@](C)(CO)NC(=O)c1[n-]c(=O)c(C#N)cc1C	ZINC001363566613	929369280	/nfs/dbraw/zinc/36/92/80/929369280.db2.gz	ZQTUTDOAHMDJDL-CYBMUJFWSA-N	-1	0	279.296	0.095	20	30		CCEDRM
CO[C@@H]1CCOC[C@H]1NC(=O)c1[n-]c(=O)c(C#N)cc1C	ZINC001363625362	929426230	/nfs/dbraw/zinc/42/62/30/929426230.db2.gz	BZBXKKWYPSHHSG-GHMZBOCLSA-N	-1	0	291.307	0.501	20	30		CCEDRM
CC[C@@H](CNC(=O)c1[nH]nc(C)c1[O-])NC(=O)[C@@H](C)C#N	ZINC001450893512	931353267	/nfs/dbraw/zinc/35/32/67/931353267.db2.gz	LSSLZIPKRWSPED-CBAPKCEASA-N	-1	0	293.327	0.208	20	30		CCEDRM
CN(C)c1cc(NC(=O)[C@@](C)(C#N)CC(=O)[O-])ncn1	ZINC001610904673	970783858	/nfs/dbraw/zinc/78/38/58/970783858.db2.gz	QVOQJAJWLHNSQP-GFCCVEGCSA-N	-1	0	277.284	0.486	20	30		CCEDRM
C#CCC[C@@H](O)CNC(=O)[C@]1(C(=O)[O-])CC=CCC1	ZINC001602675238	971246926	/nfs/dbraw/zinc/24/69/26/971246926.db2.gz	NOBYFOQIZPTTAF-RISCZKNCSA-N	-1	0	265.309	0.688	20	30		CCEDRM
C#CC[C@@H]1CCN(C(=O)Nc2ccn(CC(=O)[O-])n2)C1	ZINC001602675394	971248942	/nfs/dbraw/zinc/24/89/42/971248942.db2.gz	UENHUNPQOLLDFA-SNVBAGLBSA-N	-1	0	276.296	0.845	20	30		CCEDRM
C#CCN(CC#CC)C(=O)[C@H]1CO[C@@H](CCC(=O)[O-])C1	ZINC001602679518	971259964	/nfs/dbraw/zinc/25/99/64/971259964.db2.gz	RMXXCTCZKMFWEY-OLZOCXBDSA-N	-1	0	277.320	0.741	20	30		CCEDRM
C#CCN(CC(=O)[O-])C(=O)[C@H]1CCn2cc(C)nc2C1	ZINC001602682812	971269575	/nfs/dbraw/zinc/26/95/75/971269575.db2.gz	VBIXXROCTBMXKL-NSHDSACASA-N	-1	0	275.308	0.300	20	30		CCEDRM
C#CCN(CC(=O)[O-])C(=O)CNc1ccccc1[N+](=O)[O-]	ZINC001602683115	971272165	/nfs/dbraw/zinc/27/21/65/971272165.db2.gz	ZIZWJJAWKZYIGV-UHFFFAOYSA-N	-1	0	291.263	0.553	20	30		CCEDRM
C#CCN(CC(=O)[O-])C(=O)N[C@H]1C[C@H](C)n2ncnc21	ZINC001602683538	971273176	/nfs/dbraw/zinc/27/31/76/971273176.db2.gz	FAYQDOCKSWYMPQ-IUCAKERBSA-N	-1	0	277.284	0.013	20	30		CCEDRM
C#CCN(CC(=O)[O-])C(=O)c1ccc(N2CCC2)nc1	ZINC001602691609	971296675	/nfs/dbraw/zinc/29/66/75/971296675.db2.gz	OZYGYHURFQBPDB-UHFFFAOYSA-N	-1	0	273.292	0.452	20	30		CCEDRM
C#CCN(CC(=O)[O-])C(=O)c1cccc([S@@](C)=O)c1	ZINC001602692043	971299551	/nfs/dbraw/zinc/29/95/51/971299551.db2.gz	CCCWCDYGRAARFQ-LJQANCHMSA-N	-1	0	279.317	0.584	20	30		CCEDRM
C#CCN(CC(=O)[O-])C(=O)c1cccnc1N1CCCC1	ZINC001602692462	971302662	/nfs/dbraw/zinc/30/26/62/971302662.db2.gz	QBLXEYIEDIBJAV-UHFFFAOYSA-N	-1	0	287.319	0.842	20	30		CCEDRM
C#CCN(CC(=O)[O-])[C@H](C(=O)OC)C1(OC)CCC1	ZINC001602695723	971311147	/nfs/dbraw/zinc/31/11/47/971311147.db2.gz	QXJKUAJIGGMNJC-LLVKDONJSA-N	-1	0	269.297	0.117	20	30		CCEDRM
C#CCN(CC(=O)[O-])CC(=O)c1cc(C)n(C)c1C	ZINC001602695686	971311216	/nfs/dbraw/zinc/31/12/16/971311216.db2.gz	PYLYNMYVVXXIGQ-UHFFFAOYSA-N	-1	0	262.309	0.844	20	30		CCEDRM
C#CCN(CC(=O)[O-])[C@@H]1CCN(c2ccc(F)cc2)C1=O	ZINC001602695805	971312413	/nfs/dbraw/zinc/31/24/13/971312413.db2.gz	UEBHEIYVXNCBEO-CYBMUJFWSA-N	-1	0	290.294	0.951	20	30		CCEDRM
C#CCN(CC(=O)[O-])c1nnc(-c2ccccn2)n1C	ZINC001602699020	971315217	/nfs/dbraw/zinc/31/52/17/971315217.db2.gz	BOFNOUZWSSTIDC-UHFFFAOYSA-N	-1	0	271.280	0.401	20	30		CCEDRM
C#CCN(CC(=O)[O-])c1nnc(C2CCCC2)n1C	ZINC001602700587	971318743	/nfs/dbraw/zinc/31/87/43/971318743.db2.gz	AIFXVYSIILCASB-UHFFFAOYSA-N	-1	0	262.313	0.997	20	30		CCEDRM
C#CCN1CCC[C@H](NC(=O)C2(C(=O)[O-])CCC2)C1	ZINC001602700716	971320403	/nfs/dbraw/zinc/32/04/03/971320403.db2.gz	FVBJWSUVXBWLAZ-NSHDSACASA-N	-1	0	264.325	0.455	20	30		CCEDRM
C#CCN(CC(=O)[O-])c1nnnn1Cc1cccs1	ZINC001602700754	971321203	/nfs/dbraw/zinc/32/12/03/971321203.db2.gz	IBVUVDMKDJIUDE-UHFFFAOYSA-N	-1	0	277.309	0.307	20	30		CCEDRM
C#CCN1CCCN(C(=O)[C@@H]2CC[C@H]2C(=O)[O-])CC1	ZINC001602701973	971329203	/nfs/dbraw/zinc/32/92/03/971329203.db2.gz	FIBBHQWAQHTCHZ-VXGBXAGGSA-N	-1	0	264.325	0.265	20	30		CCEDRM
C#CCN1CCCN(C(=O)[C@@]2(C(=O)[O-])CC=CCC2)CC1	ZINC001602702102	971330448	/nfs/dbraw/zinc/33/04/48/971330448.db2.gz	IZYZSYVFLHUXQI-MRXNPFEDSA-N	-1	0	290.363	0.965	20	30		CCEDRM
C#CCOCCNC(=O)N1CCC(C(=O)[O-])CC1	ZINC001602702866	971332310	/nfs/dbraw/zinc/33/23/10/971332310.db2.gz	UTSRWOOTSZFPCW-UHFFFAOYSA-N	-1	0	254.286	0.142	20	30		CCEDRM
C=C(C)C(C)(C)C(=O)O[C@H]1CCN(CC(=O)[O-])C1=O	ZINC001602707520	971345379	/nfs/dbraw/zinc/34/53/79/971345379.db2.gz	ZGHWRUZSWHBXNX-VIFPVBQESA-N	-1	0	269.297	0.817	20	30		CCEDRM
C=C1C[C@H]2CC[C@@H](C1)N2C(=O)C(=O)N(C)C[C@@H](C)C(=O)[O-]	ZINC001602712198	971354357	/nfs/dbraw/zinc/35/43/57/971354357.db2.gz	JYKVUAPFKDHTAZ-UTUOFQBUSA-N	-1	0	294.351	0.875	20	30		CCEDRM
C=C(CCC(=O)OC)C(=O)N(CCC)CC(=O)[O-]	ZINC001602712680	971358597	/nfs/dbraw/zinc/35/85/97/971358597.db2.gz	YNRHNVJMXNRBDZ-UHFFFAOYSA-N	-1	0	257.286	0.819	20	30		CCEDRM
C=C[C@@H](C(=O)NC[C@](C)(O)C(=O)[O-])c1ccccc1	ZINC001602713120	971360523	/nfs/dbraw/zinc/36/05/23/971360523.db2.gz	MDPMNQDPDZZTRG-RISCZKNCSA-N	-1	0	263.293	0.908	20	30		CCEDRM
C=CC[C@H](CO)NC(=O)Nc1cccnc1C(=O)[O-]	ZINC001602718056	971372588	/nfs/dbraw/zinc/37/25/88/971372588.db2.gz	CIQGHBPGKXWBBQ-MRVPVSSYSA-N	-1	0	265.269	0.838	20	30		CCEDRM
C=CC[C@@H]1NC(=O)N(CCC(C)(C)C(=O)[O-])C1=O	ZINC001602718890	971378488	/nfs/dbraw/zinc/37/84/88/971378488.db2.gz	FFLYOAWRRGEAKU-QMMMGPOBSA-N	-1	0	254.286	0.984	20	30		CCEDRM
C=CCCC(=O)[C@H]1CCCN1C(=O)COCC(=O)[O-]	ZINC001602718911	971378698	/nfs/dbraw/zinc/37/86/98/971378698.db2.gz	FTNJRCFOIUXTLU-SNVBAGLBSA-N	-1	0	269.297	0.614	20	30		CCEDRM
C=CCNC(=O)Cc1noc(-c2cnc(C(=O)[O-])cn2)n1	ZINC001602723274	971395269	/nfs/dbraw/zinc/39/52/69/971395269.db2.gz	YKYLITGKLJJSTO-UHFFFAOYSA-N	-1	0	289.251	0.070	20	30		CCEDRM
C=CCNC(=O)[C@H](C)OC(=O)C1(CC(=O)[O-])CCC1	ZINC001602723212	971395464	/nfs/dbraw/zinc/39/54/64/971395464.db2.gz	WCPVBJKVXAAHPG-VIFPVBQESA-N	-1	0	269.297	0.865	20	30		CCEDRM
C=CCOCc1nnc(N2CC[C@H](C(=O)[O-])C2)n1CC	ZINC001602728739	971396621	/nfs/dbraw/zinc/39/66/21/971396621.db2.gz	APPHBTMIHLXPCT-JTQLQIEISA-N	-1	0	280.328	0.912	20	30		CCEDRM
CC#CC[C@H](CO)NC(=O)c1ccc(C(=O)[O-])nc1	ZINC001602735128	971417200	/nfs/dbraw/zinc/41/72/00/971417200.db2.gz	RSIHUBQYXUSNQA-SNVBAGLBSA-N	-1	0	262.265	0.284	20	30		CCEDRM
CC#CCNC(=O)C(=O)Nc1cccc(CC(=O)[O-])c1	ZINC001602735253	971417833	/nfs/dbraw/zinc/41/78/33/971417833.db2.gz	WPTUVXKXEIEVGY-UHFFFAOYSA-N	-1	0	274.276	0.392	20	30		CCEDRM
C[C@@](O)(CNC(=O)Nc1cccc(C#N)c1)C(=O)[O-]	ZINC000090276684	949119920	/nfs/dbraw/zinc/11/99/20/949119920.db2.gz	VIQHWOHEOHMRHL-GFCCVEGCSA-N	-1	0	263.253	0.515	20	30		CCEDRM
C#CCN(CC(=O)[O-])S(=O)(=O)Cc1ccccc1	ZINC000092479691	949152934	/nfs/dbraw/zinc/15/29/34/949152934.db2.gz	BXSYAYVBLRRRPI-UHFFFAOYSA-N	-1	0	267.306	0.536	20	30		CCEDRM
Cc1nc(C(=O)NC2(C(=O)[O-])CCOCC2)ccc1C#N	ZINC000131768065	949292278	/nfs/dbraw/zinc/29/22/78/949292278.db2.gz	POLNOGMJQUDVQO-UHFFFAOYSA-N	-1	0	289.291	0.625	20	30		CCEDRM
CC/C=C\CCn1c(=O)c(C#N)cn(CC(=O)[O-])c1=O	ZINC001589627363	949510676	/nfs/dbraw/zinc/51/06/76/949510676.db2.gz	QDRUDVBCHUYOCJ-ARJAWSKDSA-N	-1	0	277.280	0.323	20	30		CCEDRM
C#CCN(CC(=O)[O-])C(=O)NCCCOCC1CC1	ZINC000236425348	949898518	/nfs/dbraw/zinc/89/85/18/949898518.db2.gz	GNFCOLOZKRQABV-UHFFFAOYSA-N	-1	0	268.313	0.533	20	30		CCEDRM
CCN(C(=O)c1cccn(CC(=O)[O-])c1=O)[C@H](C)C#N	ZINC001589711384	950334625	/nfs/dbraw/zinc/33/46/25/950334625.db2.gz	ZWKSEXRVAPXRMZ-SECBINFHSA-N	-1	0	277.280	0.307	20	30		CCEDRM
CCN(CC(=O)NCc1cccc(C#N)c1)[C@@H](C)C(=O)[O-]	ZINC001589718674	950381594	/nfs/dbraw/zinc/38/15/94/950381594.db2.gz	BSUKFFKVKKBUTG-NSHDSACASA-N	-1	0	289.335	0.969	20	30		CCEDRM
CCn1nnc(C)c1COC(=O)[C@](C)(C#N)CC(=O)[O-]	ZINC001593674318	953901392	/nfs/dbraw/zinc/90/13/92/953901392.db2.gz	NKMBEUBKRNKSIR-LBPRGKRZSA-N	-1	0	280.284	0.654	20	30		CCEDRM
O=C([O-])C(=O)N1CCN(CC#Cc2ccc(F)cc2)CC1	ZINC001594828145	953952988	/nfs/dbraw/zinc/95/29/88/953952988.db2.gz	BAEMQBCWDOVMPU-UHFFFAOYSA-N	-1	0	290.294	0.406	20	30		CCEDRM
C[C@H]1O[C@@H](C)[C@H](C)[C@H]1NC(=O)[C@](C)(C#N)CC(=O)[O-]	ZINC001589416005	954550447	/nfs/dbraw/zinc/55/04/47/954550447.db2.gz	NIUXHDYJLYYDJT-JGLHRNHXSA-N	-1	0	268.313	0.919	20	30		CCEDRM
CC[C@@H](C#N)N(CC)C(=O)c1cnc(C(=O)[O-])cn1	ZINC001589426039	954619030	/nfs/dbraw/zinc/61/90/30/954619030.db2.gz	AQQOXXMIGJDHCO-QMMMGPOBSA-N	-1	0	262.269	0.939	20	30		CCEDRM
CC(C)[C@]1(CO)CCN(C(=O)[C@@](C)(C#N)CC(=O)[O-])C1	ZINC001602993895	972032701	/nfs/dbraw/zinc/03/27/01/972032701.db2.gz	RIBOGTPFVLMOEM-ZIAGYGMSSA-N	-1	0	282.340	0.858	20	30		CCEDRM
CNc1ccc(C#N)cc1NC(=O)[C@H](OC)C(=O)[O-]	ZINC001593803097	954859352	/nfs/dbraw/zinc/85/93/52/954859352.db2.gz	DBCRHCFPCPVJFZ-JTQLQIEISA-N	-1	0	263.253	0.638	20	30		CCEDRM
CC[C@@H](CNC(=O)[C@H](O)c1ccc(C#N)cc1)C(=O)[O-]	ZINC001589517472	955073184	/nfs/dbraw/zinc/07/31/84/955073184.db2.gz	KQQGXYHEQFPHGB-CMPLNLGQSA-N	-1	0	276.292	0.819	20	30		CCEDRM
C[C@H](CN(C)C(=O)CNc1ccc(C#N)cn1)C(=O)[O-]	ZINC001589020771	955468993	/nfs/dbraw/zinc/46/89/93/955468993.db2.gz	JYXRZOLZNMITJK-SECBINFHSA-N	-1	0	276.296	0.544	20	30		CCEDRM
Cn1c(C#N)ccc1C(=O)N1CCC[C@@H](C(=O)[O-])C1	ZINC001594524263	955491107	/nfs/dbraw/zinc/49/11/07/955491107.db2.gz	DSOUORNXXHCQDL-SECBINFHSA-N	-1	0	261.281	0.834	20	30		CCEDRM
COC(=O)[C@H]1C[C@H](NC(=O)[C@](C)(C#N)CC(=O)[O-])C1	ZINC001593864921	955569586	/nfs/dbraw/zinc/56/95/86/955569586.db2.gz	AHABOWNMPXTQIL-UBJUHAIHSA-N	-1	0	268.269	0.059	20	30		CCEDRM
COC(=O)c1cnc(C(C)=NNCCC(=O)[O-])s1	ZINC001593890242	955772350	/nfs/dbraw/zinc/77/23/50/955772350.db2.gz	BMBYZZDKYAHOMV-UHFFFAOYSA-N	-1	0	271.298	0.718	20	30		CCEDRM
Cn1nc(C(=O)[O-])cc1C(=O)N1CC[C@](F)(C#N)C1	ZINC001594563398	955813765	/nfs/dbraw/zinc/81/37/65/955813765.db2.gz	CGNITFGUGUZKOV-NSHDSACASA-N	-1	0	266.232	0.196	20	30		CCEDRM
CO[C@@H](C(=O)[O-])C(=O)OCc1ccncc1C#N	ZINC001593917058	956031423	/nfs/dbraw/zinc/03/14/23/956031423.db2.gz	CVNRQDCKXJUHRR-VIFPVBQESA-N	-1	0	250.210	0.096	20	30		CCEDRM
N#C[C@H](NC(=O)[C@@H]1CC(C(=O)[O-])=NO1)C1CCCCC1	ZINC001594600971	956128673	/nfs/dbraw/zinc/12/86/73/956128673.db2.gz	FPFPEGXSAJTOQX-QWRGUYRKSA-N	-1	0	279.296	0.805	20	30		CCEDRM
N#CC1(NC(=O)[C@@H]2CCCN(CC(=O)[O-])C2=O)CCCC1	ZINC001594602752	956150878	/nfs/dbraw/zinc/15/08/78/956150878.db2.gz	RFRMZVVEUJSCTO-JTQLQIEISA-N	-1	0	293.323	0.262	20	30		CCEDRM
N#CC1(COC(=O)[C@@H](C(=O)[O-])C2CC2)CCOCC1	ZINC001594603623	956158044	/nfs/dbraw/zinc/15/80/44/956158044.db2.gz	HLLMCUCVOUMXOC-SNVBAGLBSA-N	-1	0	267.281	0.961	20	30		CCEDRM
N#CC1(CN2CCC(N3C[C@H](C(=O)[O-])CC3=O)CC2)CC1	ZINC001594604413	956161328	/nfs/dbraw/zinc/16/13/28/956161328.db2.gz	STZVTZBDYCWNPT-LLVKDONJSA-N	-1	0	291.351	0.688	20	30		CCEDRM
N#CC1(CC(=O)NCC2(C(=O)[O-])CCOCC2)CC1	ZINC001594604649	956163795	/nfs/dbraw/zinc/16/37/95/956163795.db2.gz	ZWZYNYWYUDSJKN-UHFFFAOYSA-N	-1	0	266.297	0.678	20	30		CCEDRM
N#CCCCCOC(=O)c1cccn(CC(=O)[O-])c1=O	ZINC001594608999	956188258	/nfs/dbraw/zinc/18/82/58/956188258.db2.gz	HHCWUMYTGOSHPE-UHFFFAOYSA-N	-1	0	278.264	0.784	20	30		CCEDRM
C[C@@](O)(CNC(=O)C(F)(F)c1ccccc1C#N)C(=O)[O-]	ZINC001589137762	956239785	/nfs/dbraw/zinc/23/97/85/956239785.db2.gz	AWSQQRSIQFFDHK-GFCCVEGCSA-N	-1	0	298.245	0.602	20	30		CCEDRM
CO[C@@H](COC(=O)[C@](C)(C#N)CC(=O)[O-])C1CC1	ZINC001593941289	956275340	/nfs/dbraw/zinc/27/53/40/956275340.db2.gz	DCDAFNKIUWSLTL-CABZTGNLSA-N	-1	0	255.270	0.959	20	30		CCEDRM
COC(OC)[C@@H](C)NC(=O)[C@](C)(C#N)CC(=O)[O-]	ZINC001593944483	956314998	/nfs/dbraw/zinc/31/49/98/956314998.db2.gz	JKBDZBWAURWYPH-HQJQHLMTSA-N	-1	0	258.274	0.115	20	30		CCEDRM
N#Cc1cccc(NC(=O)N[C@@]2(C(=O)[O-])CCOC2)n1	ZINC001594628241	956327449	/nfs/dbraw/zinc/32/74/49/956327449.db2.gz	FQURXWHTPBONLC-LBPRGKRZSA-N	-1	0	276.252	0.318	20	30		CCEDRM
N#Cc1cccc2[nH]cc(C(=O)N3CCO[C@@H](C(=O)[O-])C3)c21	ZINC001594628562	956332021	/nfs/dbraw/zinc/33/20/21/956332021.db2.gz	CPHNOWOXDVSDIL-GFCCVEGCSA-N	-1	0	299.286	0.965	20	30		CCEDRM
N#Cc1ncn(-c2ccccc2NC(=O)CCC(=O)[O-])n1	ZINC001594635669	956370777	/nfs/dbraw/zinc/37/07/77/956370777.db2.gz	QRMHBWRMZQIJTR-UHFFFAOYSA-N	-1	0	285.263	0.942	20	30		CCEDRM
CC1(C)C[C@]1(C#N)NC(=O)[C@H]1CCCN(CC(=O)[O-])C1=O	ZINC001589213002	956710633	/nfs/dbraw/zinc/71/06/33/956710633.db2.gz	WGAWAIZXCKDGET-YMTOWFKASA-N	-1	0	293.323	0.118	20	30		CCEDRM
CC1(C)C[C@]1(C(=O)[O-])C(=O)NCC1(C#N)CCOCC1	ZINC001589218524	956744865	/nfs/dbraw/zinc/74/48/65/956744865.db2.gz	WMYRJNXEAJSJRK-CQSZACIVSA-N	-1	0	280.324	0.924	20	30		CCEDRM
COC[C@@]1(C)CN(C(=O)[C@@](C)(C#N)CC(=O)[O-])CCO1	ZINC001593986750	956798420	/nfs/dbraw/zinc/79/84/20/956798420.db2.gz	JSGLLLLHGLXYIK-CHWSQXEVSA-N	-1	0	284.312	0.255	20	30		CCEDRM
C#CCNC(=O)CN(C)Cc1ccc(C(=O)[O-])cc1	ZINC000037918897	957337216	/nfs/dbraw/zinc/33/72/16/957337216.db2.gz	SHTJIIIGFVYEPT-UHFFFAOYSA-N	-1	0	260.293	0.566	20	30		CCEDRM
C=CCNC(=O)CN1Cc2ccccc2C[C@H]1C(=O)[O-]	ZINC000061448891	957580653	/nfs/dbraw/zinc/58/06/53/957580653.db2.gz	OXEUFWDNVZYVSU-ZDUSSCGKSA-N	-1	0	274.320	0.800	20	30		CCEDRM
N#CCCN1CCN(C(=O)[C@H]2CCCC[C@H]2C(=O)[O-])CC1	ZINC000066143051	957640979	/nfs/dbraw/zinc/64/09/79/957640979.db2.gz	JABHIMMGJUIIPK-QWHCGFSZSA-N	-1	0	293.367	0.935	20	30		CCEDRM
C#C[C@@H](C)NC(=O)C(=O)Nc1cccc(C(=O)[O-])c1	ZINC001588368415	957964451	/nfs/dbraw/zinc/96/44/51/957964451.db2.gz	MHRBSXXPNUXDSY-MRVPVSSYSA-N	-1	0	260.249	0.461	20	30		CCEDRM
C#CC1CCN(C(=O)C(=O)NCCCCCC(=O)[O-])CC1	ZINC001588389344	958007313	/nfs/dbraw/zinc/00/73/13/958007313.db2.gz	RWTOSXNWTJKGEJ-UHFFFAOYSA-N	-1	0	294.351	0.619	20	30		CCEDRM
C#CCCCCC(=O)N[C@@H]1CCCCN(CC(=O)[O-])C1=O	ZINC001588391099	958018611	/nfs/dbraw/zinc/01/86/11/958018611.db2.gz	ANIOBZIXLPZKBH-GFCCVEGCSA-N	-1	0	294.351	0.762	20	30		CCEDRM
C#CCC[C@H](O)CNC(=O)NCCCCCC(=O)[O-]	ZINC001588391857	958029210	/nfs/dbraw/zinc/02/92/10/958029210.db2.gz	PDZLCKXWSFQINC-NSHDSACASA-N	-1	0	270.329	0.705	20	30		CCEDRM
C#CCN(C(=O)[C@H]1CC[C@H]1C(=O)[O-])C1CSC1	ZINC001588395066	958036135	/nfs/dbraw/zinc/03/61/35/958036135.db2.gz	BVZHHUGXHLDOBR-VHSXEESVSA-N	-1	0	253.323	0.674	20	30		CCEDRM
C#CCN(CC#C)C(=O)C(=O)Nc1cccc(C(=O)[O-])c1	ZINC001588395571	958041514	/nfs/dbraw/zinc/04/15/14/958041514.db2.gz	OFKYBFUJTOUBOF-UHFFFAOYSA-N	-1	0	284.271	0.418	20	30		CCEDRM
C#CCN(C(=O)COCC(=O)[O-])c1nccs1	ZINC001588396288	958048451	/nfs/dbraw/zinc/04/84/51/958048451.db2.gz	RVHODVDHMUWVNY-UHFFFAOYSA-N	-1	0	254.267	0.211	20	30		CCEDRM
C#CCCn1nnnc1N1C[C@H](C)C[C@H](C(=O)[O-])C1	ZINC001588396639	958051060	/nfs/dbraw/zinc/05/10/60/958051060.db2.gz	WRCGOJTZKYRFKP-ZJUUUORDSA-N	-1	0	263.301	0.243	20	30		CCEDRM
C#CCN(CC(=O)[O-])C(=O)[C@H](CO)c1ccc(Cl)cc1	ZINC001588397677	958061814	/nfs/dbraw/zinc/06/18/14/958061814.db2.gz	QNBAPKUEYDRJKC-GFCCVEGCSA-N	-1	0	295.722	0.962	20	30		CCEDRM
C#CCN(CC(=O)[O-])C(=O)[C@]1(O)CCCC(C)(C)C1	ZINC001588399150	958071321	/nfs/dbraw/zinc/07/13/21/958071321.db2.gz	GWODVQSHLKOARA-AWEZNQCLSA-N	-1	0	267.325	0.864	20	30		CCEDRM
Cc1ccc(C#N)c(NCCn2cc(C(=O)[O-])nn2)n1	ZINC000089696623	958081431	/nfs/dbraw/zinc/08/14/31/958081431.db2.gz	XLOFVXVFRWHHBY-UHFFFAOYSA-N	-1	0	272.268	0.664	20	30		CCEDRM
C#CCN(CC(=O)[O-])C(=O)CCN(C)C(=O)OC(C)(C)C	ZINC001588401712	958084387	/nfs/dbraw/zinc/08/43/87/958084387.db2.gz	AYFYAWNLUIUNMP-UHFFFAOYSA-N	-1	0	298.339	0.790	20	30		CCEDRM
C#CCN(CC(=O)[O-])C(=O)COc1ccsn1	ZINC001588406596	958094578	/nfs/dbraw/zinc/09/45/78/958094578.db2.gz	BAIHPLCCFVZJAY-UHFFFAOYSA-N	-1	0	254.267	0.068	20	30		CCEDRM
C#CCN(CC(=O)[O-])C(=O)NCCCCn1ccnc1C	ZINC001588408315	958107893	/nfs/dbraw/zinc/10/78/93/958107893.db2.gz	HCWLBCLZURRNRO-UHFFFAOYSA-N	-1	0	292.339	0.701	20	30		CCEDRM
C#CCN(CC(=O)[O-])C(=O)NCc1cccnc1OCC	ZINC001588408867	958119751	/nfs/dbraw/zinc/11/97/51/958119751.db2.gz	JFJXLINUMPRMKD-UHFFFAOYSA-N	-1	0	291.307	0.710	20	30		CCEDRM
C#CCN(CC(=O)[O-])C(=O)NCCc1cnc(C)s1	ZINC001588408889	958119959	/nfs/dbraw/zinc/11/99/59/958119959.db2.gz	KCDLSCQOFJNQMH-UHFFFAOYSA-N	-1	0	281.337	0.723	20	30		CCEDRM
C#CCN(CC(=O)[O-])C(=O)NCCc1cccc(O)c1	ZINC001588409397	958127403	/nfs/dbraw/zinc/12/74/03/958127403.db2.gz	WTYFEZSTMNSAFJ-UHFFFAOYSA-N	-1	0	276.292	0.664	20	30		CCEDRM
C#CCN(CC(=O)[O-])C(=O)c1ccnc(-n2ccnc2)c1	ZINC001588418684	958184164	/nfs/dbraw/zinc/18/41/64/958184164.db2.gz	CJNXCDQGONRPAE-UHFFFAOYSA-N	-1	0	284.275	0.427	20	30		CCEDRM
C#CCN(CC(=O)[O-])C(=O)C1=NC(=O)C(C)S1	ZINC001588418972	958190049	/nfs/dbraw/zinc/19/00/49/958190049.db2.gz	YLUFCJLBEUCKBY-UHFFFAOYSA-N	-1	0	254.267	0.317	20	30		CCEDRM
C#CCN(CC(=O)[O-])CC(=O)NCc1sccc1C	ZINC001588420299	958202701	/nfs/dbraw/zinc/20/27/01/958202701.db2.gz	UVTNIWPOCKVTNE-UHFFFAOYSA-N	-1	0	280.349	0.693	20	30		CCEDRM
C#CCN(CC(=O)[O-])C[C@H]1CCC2(CCOCC2)O1	ZINC001588424093	958209041	/nfs/dbraw/zinc/20/90/41/958209041.db2.gz	JOOXRFXWIAWWRA-GFCCVEGCSA-N	-1	0	267.325	0.734	20	30		CCEDRM
C#CCN(CC(=O)[O-])c1nnnn1C[C@@H]1CCO[C@@H](C)C1	ZINC001588426720	958232871	/nfs/dbraw/zinc/23/28/71/958232871.db2.gz	ABJNPSSIBFVBPG-WDEREUQCSA-N	-1	0	293.327	0.012	20	30		CCEDRM
C#CCN(CC(=O)[O-])c1nnnn1C1C[C@@H](C)O[C@H](C)C1	ZINC001588427035	958238361	/nfs/dbraw/zinc/23/83/61/958238361.db2.gz	KOGFRIPFBIUAQP-NXEZZACHSA-N	-1	0	293.327	0.326	20	30		CCEDRM
C#CCN(CC(=O)[O-])c1nnc([C@H]2CCC[C@H](O)C2)n1C	ZINC001588427297	958242975	/nfs/dbraw/zinc/24/29/75/958242975.db2.gz	SIRGPRHDZDUWLM-QWRGUYRKSA-N	-1	0	292.339	0.358	20	30		CCEDRM
C#CCN(CC(=O)[O-])c1nnnn1CCC1CC(OC)C1	ZINC001588427259	958243371	/nfs/dbraw/zinc/24/33/71/958243371.db2.gz	RPOSEAVPYSYZIH-UHFFFAOYSA-N	-1	0	293.327	0.012	20	30		CCEDRM
C#CCN(CC(=O)[O-])c1nnc(C[C@@H](C)O)n1CC(C)C	ZINC001588427304	958243460	/nfs/dbraw/zinc/24/34/60/958243460.db2.gz	SPBQMUFMHCZQEL-LLVKDONJSA-N	-1	0	294.355	0.382	20	30		CCEDRM
C#CCN(CC(=O)[O-])c1nnnn1C[C@@H]1CCC(C)(C)O1	ZINC001588427473	958245471	/nfs/dbraw/zinc/24/54/71/958245471.db2.gz	ZFKBVJPEESOJBC-JTQLQIEISA-N	-1	0	293.327	0.155	20	30		CCEDRM
C#CCN1CCC[C@@H](NC(=O)C2(C(=O)[O-])CC=CC2)C1	ZINC001588430017	958249584	/nfs/dbraw/zinc/24/95/84/958249584.db2.gz	FYTQYYVEZXUYJN-GFCCVEGCSA-N	-1	0	276.336	0.621	20	30		CCEDRM
C#CCN(CCCCCS(=O)(=O)CC)CC(=O)[O-]	ZINC001588432189	958275325	/nfs/dbraw/zinc/27/53/25/958275325.db2.gz	CPIAIVRUHFLABI-UHFFFAOYSA-N	-1	0	275.370	0.611	20	30		CCEDRM
C#Cc1ccc(C(=O)N2C[C@H]3COC[C@@]3(C(=O)[O-])C2)cn1	ZINC001588433117	958292827	/nfs/dbraw/zinc/29/28/27/958292827.db2.gz	KRMUIJLTVDFBQD-NHYWBVRUSA-N	-1	0	286.287	0.236	20	30		CCEDRM
C=C(C)C[C@H](CO)NC(=O)[C@](C)(C#N)CC(=O)[O-]	ZINC001588443005	958348613	/nfs/dbraw/zinc/34/86/13/958348613.db2.gz	XEGVMEXPJIMWAO-SKDRFNHKSA-N	-1	0	254.286	0.434	20	30		CCEDRM
C#CC[C@H](CO)NC(=O)Nc1ccn(C(C)(C)C(=O)[O-])n1	ZINC001573302014	958445501	/nfs/dbraw/zinc/44/55/01/958445501.db2.gz	IFJHLRDUSISBAQ-SECBINFHSA-N	-1	0	294.311	0.209	20	30		CCEDRM
C=CCC[C@H](NC(=O)[C@@H](C)C(=O)[O-])C(=O)OCC	ZINC001588457379	958449926	/nfs/dbraw/zinc/44/99/26/958449926.db2.gz	XHYTVBSKIKFDRH-BDAKNGLRSA-N	-1	0	257.286	0.721	20	30		CCEDRM
C=CCOCCn1cc(CN2CCC[C@H]2C(=O)[O-])nn1	ZINC001588466416	958512339	/nfs/dbraw/zinc/51/23/39/958512339.db2.gz	OXGLZGWFUNNKGO-LBPRGKRZSA-N	-1	0	280.328	0.530	20	30		CCEDRM
C=C1CC(C)(C(=O)N2C[C@H]3COC[C@@]3(C(=O)[O-])C2)C1	ZINC001573330231	958516863	/nfs/dbraw/zinc/51/68/63/958516863.db2.gz	WIJISDKUQLXMKQ-HZMBPMFUSA-N	-1	0	265.309	0.902	20	30		CCEDRM
C=CCn1c([C@H](C)CO)nnc1N1CC[C@@](C)(C(=O)[O-])C1	ZINC001588470640	958529933	/nfs/dbraw/zinc/52/99/33/958529933.db2.gz	QHGGVCWREFHANR-QMTHXVAHSA-N	-1	0	294.355	0.861	20	30		CCEDRM
C=C[C@H](CO)NC(=O)NCc1cccc(C(=O)[O-])c1	ZINC001588478310	958563731	/nfs/dbraw/zinc/56/37/31/958563731.db2.gz	FAGKTLMBBJBDDD-LLVKDONJSA-N	-1	0	264.281	0.731	20	30		CCEDRM
CC#CC[C@@H](CO)NC(=O)NCCCCCC(=O)[O-]	ZINC001588478451	958567231	/nfs/dbraw/zinc/56/72/31/958567231.db2.gz	AFHWEPKVYTXMGX-NSHDSACASA-N	-1	0	270.329	0.705	20	30		CCEDRM
CC#CC[C@@H](CO)NC(=O)c1coc(/C=C\C(=O)[O-])c1	ZINC001588479027	958576453	/nfs/dbraw/zinc/57/64/53/958576453.db2.gz	UKFZVQQCVUQPHN-GZTOBOFZSA-N	-1	0	277.276	0.882	20	30		CCEDRM
C[C@](C#N)(CC(=O)[O-])C(=O)N1CCCn2nncc2C1	ZINC001573359761	958586948	/nfs/dbraw/zinc/58/69/48/958586948.db2.gz	GWBMMKYMMXMVCO-GFCCVEGCSA-N	-1	0	277.284	0.015	20	30		CCEDRM
C[C@@H](C(=O)N1[C@H](C)CC[C@@H]1C(=O)[O-])n1cnc(C#N)n1	ZINC001573362925	958603327	/nfs/dbraw/zinc/60/33/27/958603327.db2.gz	HGRQPINYYMUPHR-HRDYMLBCSA-N	-1	0	277.284	0.175	20	30		CCEDRM
C[C@@H](C(=O)Nc1ncccc1C(=O)[O-])n1cnc(C#N)n1	ZINC001573363175	958604892	/nfs/dbraw/zinc/60/48/92/958604892.db2.gz	JWVADDITHVRESA-ZETCQYMHSA-N	-1	0	286.251	0.443	20	30		CCEDRM
C[C@](C#N)(CC(=O)[O-])C(=O)Nc1cnc2ccnn2c1	ZINC001573364860	958617813	/nfs/dbraw/zinc/61/78/13/958617813.db2.gz	REHNQQRHMGCKGK-GFCCVEGCSA-N	-1	0	273.252	0.672	20	30		CCEDRM
N#C[C@H]1CN(C(=O)Nc2ccc(C(=O)[O-])nc2)CCO1	ZINC000128677195	958676468	/nfs/dbraw/zinc/67/64/68/958676468.db2.gz	BGFOKSNJUZMTIT-VIFPVBQESA-N	-1	0	276.252	0.536	20	30		CCEDRM
N#Cc1ccc(F)cc1CN1C[C@H](O)C[C@@H]1C(=O)[O-]	ZINC000132223556	958778558	/nfs/dbraw/zinc/77/85/58/958778558.db2.gz	AVRLQTRGQLDKLF-VXGBXAGGSA-N	-1	0	264.256	0.717	20	30		CCEDRM
C[C@](C#N)(CC(=O)[O-])C(=O)N[C@@H](CO)c1ccsc1	ZINC001588538605	958942353	/nfs/dbraw/zinc/94/23/53/958942353.db2.gz	LHRLOWDWBNPECC-JOYOIKCWSA-N	-1	0	282.321	0.902	20	30		CCEDRM
C[C@@H](C#N)CN(C(=O)c1cc(C(=O)[O-])nn1C)C1CC1	ZINC001588543793	958983804	/nfs/dbraw/zinc/98/38/04/958983804.db2.gz	SETIHUDVHMSQTG-QMMMGPOBSA-N	-1	0	276.296	0.883	20	30		CCEDRM
CC(C)[C@H](C#N)N1CCN(C(=O)[C@H]2CC[C@H]2C(=O)[O-])CC1	ZINC001573484399	958985663	/nfs/dbraw/zinc/98/56/63/958985663.db2.gz	IULKLONWVZVURP-XQQFMLRXSA-N	-1	0	293.367	0.790	20	30		CCEDRM
C[C@H](C(=O)NCC1(C(=O)[O-])CCC1)n1cnc(C#N)n1	ZINC001588553537	959042295	/nfs/dbraw/zinc/04/22/95/959042295.db2.gz	GXOUOKUZWRFZJA-MRVPVSSYSA-N	-1	0	277.284	0.082	20	30		CCEDRM
C#CC[C@@H](NS(=O)(=O)c1ccc(CC#N)cc1)C(=O)[O-]	ZINC000159590519	959121239	/nfs/dbraw/zinc/12/12/39/959121239.db2.gz	PGPVPCAHRJSHKX-GFCCVEGCSA-N	-1	0	292.316	0.507	20	30		CCEDRM
C#CC[C@@H](NS(=O)(=O)c1cccc(F)c1C#N)C(=O)[O-]	ZINC000159586241	959122119	/nfs/dbraw/zinc/12/21/19/959122119.db2.gz	YCLNZHJHAVQISC-SNVBAGLBSA-N	-1	0	296.279	0.452	20	30		CCEDRM
C[C@@H](C(=O)[O-])C(=O)N1CCN(c2cnccc2C#N)CC1	ZINC001588564768	959127759	/nfs/dbraw/zinc/12/77/59/959127759.db2.gz	BVYOHLDJABPOAK-SNVBAGLBSA-N	-1	0	288.307	0.323	20	30		CCEDRM
C[C@H](C(=O)[O-])C(=O)OCC(=O)Nc1ccc(CC#N)cc1	ZINC001588579986	959245350	/nfs/dbraw/zinc/24/53/50/959245350.db2.gz	HFZLJYBWJXBGNK-SECBINFHSA-N	-1	0	290.275	0.955	20	30		CCEDRM
N#CCCN(CCC#N)C(=O)[C@H]1CC[C@@H](C(=O)[O-])O1	ZINC000222593964	959821500	/nfs/dbraw/zinc/82/15/00/959821500.db2.gz	DNCOUBKXKVRXGR-ZJUUUORDSA-N	-1	0	265.269	0.275	20	30		CCEDRM
C#CCNS(=O)(=O)c1ccc(C(=O)[O-])cc1OC	ZINC000223690347	959838780	/nfs/dbraw/zinc/83/87/80/959838780.db2.gz	NDJOFTVUCORNQA-UHFFFAOYSA-N	-1	0	269.278	0.305	20	30		CCEDRM
CC(C)[C@](C)(C#N)NC(=O)[C@H](C)OC(=O)[C@H](C)C(=O)[O-]	ZINC001603268202	972464098	/nfs/dbraw/zinc/46/40/98/972464098.db2.gz	FQKFSFLLBFFJTO-ZDMBXUJBSA-N	-1	0	284.312	0.693	20	30		CCEDRM
C[C@H](OC(=O)[C@@](C)(C#N)CC(=O)[O-])c1nnnn1C1CC1	ZINC001603268645	972467723	/nfs/dbraw/zinc/46/77/23/972467723.db2.gz	LTFDXSYROXEZMK-JVXZTZIISA-N	-1	0	293.283	0.617	20	30		CCEDRM
C#CC[C@H](NC(=O)c1cccc2nccnc21)C(=O)[O-]	ZINC000228271827	960006952	/nfs/dbraw/zinc/00/69/52/960006952.db2.gz	PVJZGWNUUUTIAE-NSHDSACASA-N	-1	0	269.260	0.836	20	30		CCEDRM
N#CCNC(=O)CN1CCc2ccc(C(=O)[O-])cc21	ZINC000228539573	960024220	/nfs/dbraw/zinc/02/42/20/960024220.db2.gz	MHJXHJGBBRZXRY-UHFFFAOYSA-N	-1	0	259.265	0.387	20	30		CCEDRM
C#CC[C@@H](NS(=O)(=O)c1cnc(C)s1)C(=O)[O-]	ZINC000230100307	960127457	/nfs/dbraw/zinc/12/74/57/960127457.db2.gz	CDHZLRLSXKGRHV-SSDOTTSWSA-N	-1	0	274.323	0.206	20	30		CCEDRM
N#Cc1ccc(S(=O)(=O)N[C@H]2CC[C@H]2C(=O)[O-])s1	ZINC001571029134	960453792	/nfs/dbraw/zinc/45/37/92/960453792.db2.gz	GAAIVVJTVGRQFR-SFYZADRCSA-N	-1	0	286.334	0.761	20	30		CCEDRM
N#CCCn1ccc(NC(=O)[C@H]2CC[C@H]2C(=O)[O-])n1	ZINC001574241333	960462432	/nfs/dbraw/zinc/46/24/32/960462432.db2.gz	KXMZVFWVIVCIIE-DTWKUNHWSA-N	-1	0	262.269	0.846	20	30		CCEDRM
N#CC[C@H](C(=O)N1CCO[C@H](C(=O)[O-])C1)c1ccccc1	ZINC001574241507	960465122	/nfs/dbraw/zinc/46/51/22/960465122.db2.gz	MTBXXKKUZBKQGC-STQMWFEESA-N	-1	0	288.303	0.996	20	30		CCEDRM
C[C@](CO)(NC(=O)c1ccc2c(C#N)c[nH]c2c1)C(=O)[O-]	ZINC001571029866	960471317	/nfs/dbraw/zinc/47/13/17/960471317.db2.gz	XEUSCJZWIATTCT-CQSZACIVSA-N	-1	0	287.275	0.605	20	30		CCEDRM
C[C@](Cn1cccn1)(NC(=O)c1ccc(C#N)[nH]1)C(=O)[O-]	ZINC001571029870	960471976	/nfs/dbraw/zinc/47/19/76/960471976.db2.gz	XFRRCTUUPFUZPZ-CYBMUJFWSA-N	-1	0	287.279	0.356	20	30		CCEDRM
N#Cc1c(F)cccc1C(=O)NC[C@]1(C(=O)[O-])CCOC1	ZINC001571042539	960599380	/nfs/dbraw/zinc/59/93/80/960599380.db2.gz	JYWBCUSFVJYTNC-CQSZACIVSA-N	-1	0	292.266	0.918	20	30		CCEDRM
Cc1cc(C(=O)Nc2n[nH]cc2C(=O)[O-])ncc1C#N	ZINC001574315658	960784413	/nfs/dbraw/zinc/78/44/13/960784413.db2.gz	RGWNDDICTDLIMP-UHFFFAOYSA-N	-1	0	271.236	0.935	20	30		CCEDRM
Cc1[nH]nc(NC(=O)[C@@H]2CO[C@H](CCC(=O)[O-])C2)c1C#N	ZINC001574416192	961317723	/nfs/dbraw/zinc/31/77/23/961317723.db2.gz	UZWRTUWAGXQBHE-DTWKUNHWSA-N	-1	0	292.295	0.798	20	30		CCEDRM
Cc1nc(CNC(=O)[C@@](C)(C#N)CC(=O)[O-])[nH]c1C	ZINC001574421741	961348701	/nfs/dbraw/zinc/34/87/01/961348701.db2.gz	NXNAQCFOAPJREN-GFCCVEGCSA-N	-1	0	264.285	0.647	20	30		CCEDRM
Cn1c(C#N)ccc1C(=O)N1C[C@H]2COC[C@@]2(C(=O)[O-])C1	ZINC001574449231	961465272	/nfs/dbraw/zinc/46/52/72/961465272.db2.gz	OFYAQENVXWGRID-XPTSAGLGSA-N	-1	0	289.291	0.070	20	30		CCEDRM
COC(=O)C1(C#N)CCN(C(=O)[C@H]2CC[C@H]2C(=O)[O-])CC1	ZINC001573916022	961506787	/nfs/dbraw/zinc/50/67/87/961506787.db2.gz	MERPAFIWKODXTA-VHSXEESVSA-N	-1	0	294.307	0.403	20	30		CCEDRM
CC(C)[C@@](C)(C#N)NC(=O)CN(CC(=O)[O-])C1CCC1	ZINC001588813184	961537151	/nfs/dbraw/zinc/53/71/51/961537151.db2.gz	VGXPQRXWUQMXQM-CQSZACIVSA-N	-1	0	281.356	0.980	20	30		CCEDRM
CC(C)[C@@H](C(=O)[O-])C(=O)OCC(=O)N[C@@](C)(C#N)C(C)C	ZINC001588813863	961541937	/nfs/dbraw/zinc/54/19/37/961541937.db2.gz	MFJNXYILSWTGSP-FZMZJTMJSA-N	-1	0	298.339	0.941	20	30		CCEDRM
Cn1nnc(NC(=O)[C@](C)(C#N)CC(=O)[O-])c1C(F)F	ZINC001574474951	961642774	/nfs/dbraw/zinc/64/27/74/961642774.db2.gz	SUNWCXOJICRYJF-JTQLQIEISA-N	-1	0	287.226	0.696	20	30		CCEDRM
N#CC[C@@]1(O)CCN(C(=O)Nc2cccnc2C(=O)[O-])C1	ZINC001574480037	961656721	/nfs/dbraw/zinc/65/67/21/961656721.db2.gz	AMYDIVGXRNMXIG-CYBMUJFWSA-N	-1	0	290.279	0.662	20	30		CCEDRM
N#C[C@@]1(C(=O)Nc2cnn(CC(=O)[O-])c2)CCCOC1	ZINC001574481341	961673381	/nfs/dbraw/zinc/67/33/81/961673381.db2.gz	ZNHJSFBBAIKGNZ-LBPRGKRZSA-N	-1	0	278.268	0.227	20	30		CCEDRM
N#Cc1ccc(CNC(=O)NCCC(=O)[O-])s1	ZINC001574488280	961694510	/nfs/dbraw/zinc/69/45/10/961694510.db2.gz	PFKBTWVYRDMCIK-UHFFFAOYSA-N	-1	0	253.283	0.894	20	30		CCEDRM
C#CC[C@H](NC(=O)[C@H](O)c1ccc(C#N)cc1)C(=O)[O-]	ZINC001573302849	962664512	/nfs/dbraw/zinc/66/45/12/962664512.db2.gz	RFXHDTBKDJXUJT-NWDGAFQWSA-N	-1	0	272.260	0.184	20	30		CCEDRM
C#CC[C@@H](NC(=O)Cc1nccc(OCCC)n1)C(=O)[O-]	ZINC001573303507	962676730	/nfs/dbraw/zinc/67/67/30/962676730.db2.gz	YLYPQRAEPVBYQM-SNVBAGLBSA-N	-1	0	291.307	0.401	20	30		CCEDRM
COCCN(CCC(=O)[O-])C(=O)NCC1(CC#N)CC1	ZINC001574157472	962695372	/nfs/dbraw/zinc/69/53/72/962695372.db2.gz	ZLHGFVPSNNNRDO-UHFFFAOYSA-N	-1	0	283.328	0.813	20	30		CCEDRM
C#CCSCC(=O)N1CCC[C@@H]2C[C@@]21C(=O)[O-]	ZINC001573312348	962720771	/nfs/dbraw/zinc/72/07/71/962720771.db2.gz	SIVSBZCAGNSKJU-SKDRFNHKSA-N	-1	0	253.323	0.819	20	30		CCEDRM
C=C(C)C(C)(C)C(=O)N1CC(CNC(=O)CNC(=O)[O-])C1	ZINC001573322229	962767954	/nfs/dbraw/zinc/76/79/54/962767954.db2.gz	WCCFDPDTHDXHMI-UHFFFAOYSA-N	-1	0	297.355	0.431	20	30		CCEDRM
C=C(CCC(=O)[O-])C(=O)NCc1nnc(C2CC2)[nH]1	ZINC001573336438	962858046	/nfs/dbraw/zinc/85/80/46/962858046.db2.gz	CLACTFITVNFECQ-UHFFFAOYSA-N	-1	0	264.285	0.719	20	30		CCEDRM
C=C(Cl)CN(CC)[C@H](C)CNC(=O)CNC(=O)[O-]	ZINC001573339920	962896340	/nfs/dbraw/zinc/89/63/40/962896340.db2.gz	ZDWHMRHWPBQVIA-SECBINFHSA-N	-1	0	277.752	0.833	20	30		CCEDRM
C=C[C@@H](CC)CC(=O)NC[C@@H](C)N(C)C(=O)CNC(=O)[O-]	ZINC001573346948	962944233	/nfs/dbraw/zinc/94/42/33/962944233.db2.gz	IBEFENMMTXNHEC-MNOVXSKESA-N	-1	0	299.371	0.819	20	30		CCEDRM
C=C[C@](C)(O)CC(=O)N[C@@]1(CC(=O)[O-])CCCOC1	ZINC001573347795	962951082	/nfs/dbraw/zinc/95/10/82/962951082.db2.gz	OFADYRRJUSMYRH-QWHCGFSZSA-N	-1	0	271.313	0.454	20	30		CCEDRM
C=CCCC(=O)N1CCC[C@@H](NC(=O)CNC(=O)[O-])CC1	ZINC001573353171	962997794	/nfs/dbraw/zinc/99/77/94/962997794.db2.gz	QHHFOURVPJEBRN-LLVKDONJSA-N	-1	0	297.355	0.718	20	30		CCEDRM
N#C[C@H]1CC[C@@H](NS(=O)(=O)CCCC(=O)[O-])C1	ZINC001570976194	963055646	/nfs/dbraw/zinc/05/56/46/963055646.db2.gz	GBJGQYLKIZMWLF-DTWKUNHWSA-N	-1	0	260.315	0.463	20	30		CCEDRM
C=CCOCC[N@@H+](C)C[C@@H]1CCCN1C(=O)CNC(=O)[O-]	ZINC001573368657	963084101	/nfs/dbraw/zinc/08/41/01/963084101.db2.gz	JCCXQKMLAQIDFJ-LBPRGKRZSA-N	-1	0	299.371	0.379	20	30		CCEDRM
C=CCOC[C@H](NC(=O)CC1CC(OCC)C1)C(=O)[O-]	ZINC001573369498	963098842	/nfs/dbraw/zinc/09/88/42/963098842.db2.gz	UPZQACNOJOXVCS-MCIGGMRASA-N	-1	0	285.340	0.964	20	30		CCEDRM
C#CCCCC(=O)N[C@@H](CC1OCCO1)C(=O)[O-]	ZINC001588435501	964023883	/nfs/dbraw/zinc/02/38/83/964023883.db2.gz	SNEZXJHQGDQMLW-VIFPVBQESA-N	-1	0	255.270	0.122	20	30		CCEDRM
C#CCCCCC(=O)N[C@H](CCC1OCCO1)C(=O)[O-]	ZINC001588440532	964039564	/nfs/dbraw/zinc/03/95/64/964039564.db2.gz	YXBCIBBQTHXJNF-LLVKDONJSA-N	-1	0	283.324	0.903	20	30		CCEDRM
C=C(C)C[C@H](CO)NC(=O)c1ccc(C(=O)[O-])nc1	ZINC001588442219	964055547	/nfs/dbraw/zinc/05/55/47/964055547.db2.gz	QBOPSWFLSYKTLU-SNVBAGLBSA-N	-1	0	264.281	0.837	20	30		CCEDRM
C#CCN(CC(=O)[O-])S(=O)(=O)Cc1ccc(C#N)cc1	ZINC000092479630	967595978	/nfs/dbraw/zinc/59/59/78/967595978.db2.gz	LWCWXKTUHJMYFG-UHFFFAOYSA-N	-1	0	292.316	0.408	20	30		CCEDRM
C#CCN(CC(=O)[O-])Cc1ccc(OCC(N)=O)cc1	ZINC000092491985	967599440	/nfs/dbraw/zinc/59/94/40/967599440.db2.gz	ZQKDQQQNYWPUCV-UHFFFAOYSA-N	-1	0	276.292	0.071	20	30		CCEDRM
C#CCN(CC(=O)[O-])Cc1cc2c(c(OC)c1)OCO2	ZINC000160115026	967653672	/nfs/dbraw/zinc/65/36/72/967653672.db2.gz	YKQXINJKIQKRCZ-UHFFFAOYSA-N	-1	0	277.276	0.944	20	30		CCEDRM
Cc1ccc(C(=O)NC[C@](C)(O)C(=O)[O-])cc1C#N	ZINC001607730362	970395625	/nfs/dbraw/zinc/39/56/25/970395625.db2.gz	CQXNHSVHWYSLEM-ZDUSSCGKSA-N	-1	0	262.265	0.432	20	30		CCEDRM
N#CCCCCNC(=O)C(=O)NC1CCC(C(=O)[O-])CC1	ZINC001608180557	970402639	/nfs/dbraw/zinc/40/26/39/970402639.db2.gz	SOPQBYIYEZFJDI-UHFFFAOYSA-N	-1	0	295.339	0.556	20	30		CCEDRM
C#Cc1cccc(NC(=O)C(=O)N[C@@H](C)CC(=O)[O-])c1	ZINC001609623855	970423449	/nfs/dbraw/zinc/42/34/49/970423449.db2.gz	KCMIDWIFSIMADM-VIFPVBQESA-N	-1	0	274.276	0.586	20	30		CCEDRM
C[C@]1(C(=O)[O-])CCN(C(=O)C(=O)N2CCC[C@@H](C#N)C2)C1	ZINC001603297495	972571185	/nfs/dbraw/zinc/57/11/85/972571185.db2.gz	ZXJBWWBNPUZSBG-HZMBPMFUSA-N	-1	0	293.323	0.072	20	30		CCEDRM
C[N@@H+]1C[C@@H]2CCCN(C(=O)[C@@](C)(C#N)CC(=O)[O-])[C@@H]2C1	ZINC001604231657	972737362	/nfs/dbraw/zinc/73/73/62/972737362.db2.gz	ZSDPTFLYELRILR-MISXGVKJSA-N	-1	0	279.340	0.544	20	30		CCEDRM
Cc1cc(C#N)cc(NC(=O)C(=O)N(C)CCC(=O)[O-])c1	ZINC001605102350	972760878	/nfs/dbraw/zinc/76/08/78/972760878.db2.gz	WKMJRTOPABJREI-UHFFFAOYSA-N	-1	0	289.291	0.738	20	30		CCEDRM
COC(=O)CCN(CC(=O)[O-])c1ccc(C#N)c(C)n1	ZINC001604317503	972980765	/nfs/dbraw/zinc/98/07/65/972980765.db2.gz	XWYXGWDTRVLQET-UHFFFAOYSA-N	-1	0	277.280	0.716	20	30		CCEDRM
C[C@@H]1CN(C(=O)NCCCC(=O)[O-])C[C@@H](C)N1CC#N	ZINC001603450517	973254952	/nfs/dbraw/zinc/25/49/52/973254952.db2.gz	YNIVUAKGGFISAF-GHMZBOCLSA-N	-1	0	282.344	0.479	20	30		CCEDRM
Cc1csc(NC(=O)COCC(=O)[O-])c1C#N	ZINC001605385774	973351808	/nfs/dbraw/zinc/35/18/08/973351808.db2.gz	BIQUEABGPHNYDJ-UHFFFAOYSA-N	-1	0	254.267	0.968	20	30		CCEDRM
C=C(CC)CNC(=O)N1C[C@H](C(=O)[O-])C[C@H](O)C1	ZINC000401786643	973390867	/nfs/dbraw/zinc/39/08/67/973390867.db2.gz	LCSOVCIOHWPMTL-ZJUUUORDSA-N	-1	0	256.302	0.430	20	30		CCEDRM
COCC#CC(=O)N[C@@H](C(=O)[O-])c1cccc(C)c1	ZINC001604505246	973433454	/nfs/dbraw/zinc/43/34/54/973433454.db2.gz	SIEOGZWCIQUOAU-CYBMUJFWSA-N	-1	0	261.277	0.887	20	30		CCEDRM
N#Cc1cc(F)ccc1CN1C[C@@H](O)C[C@H](C(=O)[O-])C1	ZINC000401924114	973537836	/nfs/dbraw/zinc/53/78/36/973537836.db2.gz	QAGRYAAHHCWQCS-AAEUAGOBSA-N	-1	0	278.283	0.965	20	30		CCEDRM
C=C(C)COCCNC(=O)N1C[C@H](O)C[C@H](C(=O)[O-])C1	ZINC000401941251	973548215	/nfs/dbraw/zinc/54/82/15/973548215.db2.gz	PAHHKLDCQYEBMN-WDEREUQCSA-N	-1	0	286.328	0.056	20	30		CCEDRM
COC[C@@]1(C(=O)[O-])CN(C(=O)CCCCC#N)CCO1	ZINC001604551378	973572258	/nfs/dbraw/zinc/57/22/58/973572258.db2.gz	QNAURNZCJZCXEO-CYBMUJFWSA-N	-1	0	284.312	0.399	20	30		CCEDRM
COCCN(CCC(=O)[O-])C[C@@H](C#N)CCC#N	ZINC001604604828	973714708	/nfs/dbraw/zinc/71/47/08/973714708.db2.gz	XTJVXNFMQWJRPE-LLVKDONJSA-N	-1	0	253.302	0.853	20	30		CCEDRM
C=CCNC(=O)CNC(=O)N[C@@H]1CCC[C@H]1CC(=O)[O-]	ZINC000405232965	973794748	/nfs/dbraw/zinc/79/47/48/973794748.db2.gz	WWPRGHDEXLZDJF-VHSXEESVSA-N	-1	0	283.328	0.231	20	30		CCEDRM
N#C[C@@H](OC(=O)[C@@H]1CCCN(CC(=O)[O-])C1=O)C1CC1	ZINC001605575740	973840542	/nfs/dbraw/zinc/84/05/42/973840542.db2.gz	DFFJNJYDXLFPAB-NXEZZACHSA-N	-1	0	280.280	0.155	20	30		CCEDRM
N#CCC1(CNC(=O)C(=O)N2CCC[C@@H](C(=O)[O-])C2)CC1	ZINC001605581572	973858657	/nfs/dbraw/zinc/85/86/57/973858657.db2.gz	BSFDEEDZBQPRAF-SNVBAGLBSA-N	-1	0	293.323	0.120	20	30		CCEDRM
N#Cc1ccc(CNC(=O)[C@@]2(C(=O)[O-])CCCO2)s1	ZINC001605601964	973908845	/nfs/dbraw/zinc/90/88/45/973908845.db2.gz	HYZUAZKWSPQDQW-GFCCVEGCSA-N	-1	0	280.305	0.870	20	30		CCEDRM
N#Cc1csc(CN2CCOC[C@@H]2C(=O)[O-])n1	ZINC001605625945	973949879	/nfs/dbraw/zinc/94/98/79/973949879.db2.gz	DCWBLLGRCPNPGI-MRVPVSSYSA-N	-1	0	253.283	0.300	20	30		CCEDRM
N#Cc1sccc1C(=O)N1C[C@@H]2COC[C@]2(C(=O)[O-])C1	ZINC001605626626	973957114	/nfs/dbraw/zinc/95/71/14/973957114.db2.gz	LKQRESQQAKQVLJ-AMIZOPFISA-N	-1	0	292.316	0.793	20	30		CCEDRM
CCO[C@@H]1C[C@H](NC(=O)[C@@](C)(C#N)CC(=O)[O-])[C@@H]1OC	ZINC001603825209	974319953	/nfs/dbraw/zinc/31/99/53/974319953.db2.gz	FHMFCEYLCZEPRK-IZWKTGJZSA-N	-1	0	284.312	0.300	20	30		CCEDRM
CCOc1ccc(C#N)cc1NC(=O)[C@@H](OC)C(=O)[O-]	ZINC001603862752	974369428	/nfs/dbraw/zinc/36/94/28/974369428.db2.gz	ZYQCOGKDPURGOS-LLVKDONJSA-N	-1	0	278.264	0.995	20	30		CCEDRM
CCn1nccc1CNC(=O)[C@](C)(C#N)CC(=O)[O-]	ZINC001604024956	974547893	/nfs/dbraw/zinc/54/78/93/974547893.db2.gz	ZQFWGOKHBMHUQD-LBPRGKRZSA-N	-1	0	264.285	0.524	20	30		CCEDRM
C[C@@H](/C=C\C(=O)[O-])NS(=O)(=O)CC(C)(C)CC#N	ZINC001592219788	977389980	/nfs/dbraw/zinc/38/99/80/977389980.db2.gz	VJAVBWLNSMZCPQ-WBSSQXGSSA-N	-1	0	274.342	0.875	20	30		CCEDRM
C[C@@H](CC(=O)[O-])C(=O)N1CCN(CCC#N)CC1	ZINC001592345188	977807683	/nfs/dbraw/zinc/80/76/83/977807683.db2.gz	LIILAJZJQZBPEQ-JTQLQIEISA-N	-1	0	253.302	0.155	20	30		CCEDRM
CC[C@@H](O)CNN=C(C)c1cncc(C(=O)[O-])c1	ZINC001595329834	980562878	/nfs/dbraw/zinc/56/28/78/980562878.db2.gz	KRNNHZBOHKOYSL-LLVKDONJSA-N	-1	0	251.286	0.864	20	30		CCEDRM
CC[C@H](C)[C@H](NC(=O)CN1CCC(C#N)CC1)C(=O)[O-]	ZINC001594892230	982294193	/nfs/dbraw/zinc/29/41/93/982294193.db2.gz	PGLWVSDGDPFXNH-GWCFXTLKSA-N	-1	0	281.356	0.837	20	30		CCEDRM
CCCCNC(=O)[C@H](C)N1CCC(C#N)(C(=O)[O-])CC1	ZINC001595750797	982430488	/nfs/dbraw/zinc/43/04/88/982430488.db2.gz	FQJHGKGAIVPMRK-NSHDSACASA-N	-1	0	281.356	0.982	20	30		CCEDRM
C=CCN(C)C(=O)[C@H](CC(=O)[O-])NC(=O)OC(C)(C)C	ZINC001573467241	983043072	/nfs/dbraw/zinc/04/30/72/983043072.db2.gz	XUTOAYJZHSNQFV-VIFPVBQESA-N	-1	0	286.328	0.999	20	30		CCEDRM
Cn1cc(C(=O)[O-])c(NC(=O)c2coc(C#N)c2)n1	ZINC001574212610	983193559	/nfs/dbraw/zinc/19/35/59/983193559.db2.gz	PNMUCWVZFGJWRI-UHFFFAOYSA-N	-1	0	260.209	0.835	20	30		CCEDRM
N#Cc1ccc(C(=O)N[C@@H](C[C@H]2CCCO2)C(=O)[O-])cn1	ZINC001574245261	983201271	/nfs/dbraw/zinc/20/12/71/983201271.db2.gz	JIVUAMQUUCIACH-NEPJUHHUSA-N	-1	0	289.291	0.705	20	30		CCEDRM
N#Cc1ccc(C(=O)N[C@@H](C[C@H]2CCCO2)C(=O)[O-])[nH]1	ZINC001574245716	983201464	/nfs/dbraw/zinc/20/14/64/983201464.db2.gz	YRTVPQMUSOIAAL-KOLCDFICSA-N	-1	0	277.280	0.638	20	30		CCEDRM
N#Cc1ncc(N2CC3CC2(C(=O)[O-])C3)nc1C#N	ZINC001574249546	983204080	/nfs/dbraw/zinc/20/40/80/983204080.db2.gz	XGSIMASDCPESFM-UHFFFAOYSA-N	-1	0	255.237	0.273	20	30		CCEDRM
C#CC(C)(C)NS(=O)(=O)c1cccnc1C(=O)[O-]	ZINC001588367344	983298546	/nfs/dbraw/zinc/29/85/46/983298546.db2.gz	QPLZIDMVRBHVIR-UHFFFAOYSA-N	-1	0	268.294	0.470	20	30		CCEDRM
C#C[C@@H](C)NC(=O)[C@H](CC(=O)[O-])NC(=O)OC(C)(C)C	ZINC001588368176	983304490	/nfs/dbraw/zinc/30/44/90/983304490.db2.gz	HPZVTMFTAYXVCC-BDAKNGLRSA-N	-1	0	284.312	0.492	20	30		CCEDRM
C#C[C@H](C)N(C)S(=O)(=O)[C@@H]1CCCC[C@H]1C(=O)[O-]	ZINC001588368497	983306572	/nfs/dbraw/zinc/30/65/72/983306572.db2.gz	OBOHORBZLYMPEK-HBNTYKKESA-N	-1	0	273.354	0.913	20	30		CCEDRM
C#C[C@H](CO)NC(=O)Nc1ccc([C@H](C)C(=O)[O-])cc1	ZINC001588370403	983319308	/nfs/dbraw/zinc/31/93/08/983319308.db2.gz	CGBZDCNAIHDXML-GXSJLCMTSA-N	-1	0	276.292	0.990	20	30		CCEDRM
C#C[C@@H](NC(=O)C(=O)Nc1cccc(C(=O)[O-])n1)C(C)C	ZINC001588371234	983325633	/nfs/dbraw/zinc/32/56/33/983325633.db2.gz	ZPKKLMFRSWYPGC-SECBINFHSA-N	-1	0	289.291	0.492	20	30		CCEDRM
C#C[C@@H](NC(=O)NCC(C)(C)CC(=O)[O-])[C@H]1CCCO1	ZINC001588372765	983333452	/nfs/dbraw/zinc/33/34/52/983333452.db2.gz	SFQNRMDMYNFZKI-GHMZBOCLSA-N	-1	0	282.340	0.967	20	30		CCEDRM
C#C[C@@H](OC(=O)Cn1cccc(C(=O)[O-])c1=O)C1CC1	ZINC001588375633	983346500	/nfs/dbraw/zinc/34/65/00/983346500.db2.gz	DOHJANWSRMXWEK-LLVKDONJSA-N	-1	0	275.260	0.502	20	30		CCEDRM
C#C[C@H](NCc1cnc(C(=O)[O-])cn1)[C@H]1CCCO1	ZINC001588377084	983355371	/nfs/dbraw/zinc/35/53/71/983355371.db2.gz	IXEZTAHJISCWPM-CMPLNLGQSA-N	-1	0	261.281	0.445	20	30		CCEDRM
C#CC1(O)CN(C(=O)[C@@]2(C(=O)[O-])C[C@H]2c2ccccc2)C1	ZINC001588380015	983366338	/nfs/dbraw/zinc/36/63/38/983366338.db2.gz	XZMNWTGXKRUTBQ-BLLLJJGKSA-N	-1	0	285.299	0.451	20	30		CCEDRM
C#CC1(O)CN([C@@H](C(=O)[O-])c2cccc(OC)c2)C1	ZINC001588382111	983368971	/nfs/dbraw/zinc/36/89/71/983368971.db2.gz	GRSIYAGHTNDPMZ-GFCCVEGCSA-N	-1	0	261.277	0.501	20	30		CCEDRM
C#C[C@@H]1CCCN(S(=O)(=O)C[C@@H](C)C(=O)[O-])C1	ZINC001588383244	983379129	/nfs/dbraw/zinc/37/91/29/983379129.db2.gz	QKRKNEXVFOLZPW-NXEZZACHSA-N	-1	0	259.327	0.382	20	30		CCEDRM
C#C[C@H]1COCCN1Cc1ccc(OCC(=O)[O-])cc1	ZINC001588383889	983385015	/nfs/dbraw/zinc/38/50/15/983385015.db2.gz	NZTUZIKZMDXTSG-ZDUSSCGKSA-N	-1	0	275.304	0.984	20	30		CCEDRM
C#CC[C@@H](CO)NC(=O)NCCc1ccc(C(=O)[O-])cc1	ZINC001588393581	983398595	/nfs/dbraw/zinc/39/85/95/983398595.db2.gz	IDMIVTKQBGDDSJ-ZDUSSCGKSA-N	-1	0	290.319	0.611	20	30		CCEDRM
C#CC[C@@H](CCOC)NC(=O)N1CCO[C@H](CC(=O)[O-])C1	ZINC001588394046	983401160	/nfs/dbraw/zinc/40/11/60/983401160.db2.gz	MADMPEIXXNMGGF-NWDGAFQWSA-N	-1	0	298.339	0.300	20	30		CCEDRM
C#CC[C@H](CCOC)NC(=O)N1CCO[C@@H](CC(=O)[O-])C1	ZINC001588394044	983401436	/nfs/dbraw/zinc/40/14/36/983401436.db2.gz	MADMPEIXXNMGGF-NEPJUHHUSA-N	-1	0	298.339	0.300	20	30		CCEDRM
C#CC[C@@H](NC(=O)[C@H](C)n1nc(C)cc1C)C(=O)[O-]	ZINC001588398567	983413662	/nfs/dbraw/zinc/41/36/62/983413662.db2.gz	LIKAJKURPVUGIW-WDEREUQCSA-N	-1	0	263.297	0.654	20	30		CCEDRM
C#CC[C@H](NC(=O)C1(NC(=O)NCC)CCCC1)C(=O)[O-]	ZINC001588398903	983414160	/nfs/dbraw/zinc/41/41/60/983414160.db2.gz	ODPYRUNAUMDAOP-JTQLQIEISA-N	-1	0	295.339	0.211	20	30		CCEDRM
C#CC[C@@H](NC(=O)CCC(=O)c1ccccn1)C(=O)[O-]	ZINC001588404834	983418909	/nfs/dbraw/zinc/41/89/09/983418909.db2.gz	AQOAKBWSPITCFD-LLVKDONJSA-N	-1	0	274.276	0.637	20	30		CCEDRM
C#CC[C@@H](NC(=O)C[C@H]1OC(=O)c2ccccc21)C(=O)[O-]	ZINC001588405375	983421241	/nfs/dbraw/zinc/42/12/41/983421241.db2.gz	GWQWFIBXTOMZDU-VXGBXAGGSA-N	-1	0	287.271	0.881	20	30		CCEDRM
C#CC[C@@H](NC(=O)[C@@H]1CCCCN1C(=O)CC)C(=O)[O-]	ZINC001588406722	983426197	/nfs/dbraw/zinc/42/61/97/983426197.db2.gz	SRLQQUUUWUSPFQ-MNOVXSKESA-N	-1	0	280.324	0.370	20	30		CCEDRM
C#CC[C@H](NC(=O)c1ccccc1C(=O)[O-])C(=O)OC	ZINC001588415932	983435902	/nfs/dbraw/zinc/43/59/02/983435902.db2.gz	ILAIIVLKAICCEI-NSHDSACASA-N	-1	0	275.260	0.680	20	30		CCEDRM
C#CC[C@@H](OC(=O)CN1CCC[C@@H](C(=O)[O-])C1=O)C1CC1	ZINC001588428449	983461827	/nfs/dbraw/zinc/46/18/27/983461827.db2.gz	OOOTWJNQEMQDGO-VXGBXAGGSA-N	-1	0	293.319	0.655	20	30		CCEDRM
C#CC[C@H](NS(=O)(=O)c1cccc(N(C)C)c1)C(=O)[O-]	ZINC001588428570	983462617	/nfs/dbraw/zinc/46/26/17/983462617.db2.gz	TUAMLRITGNCHCS-LBPRGKRZSA-N	-1	0	296.348	0.507	20	30		CCEDRM
C#CC[C@@H]1NC(=O)N(c2ccc(C(=O)[O-])c(OC)c2)C1=O	ZINC001588433776	983468616	/nfs/dbraw/zinc/46/86/16/983468616.db2.gz	CLMBPTJOCNDFLP-JTQLQIEISA-N	-1	0	288.259	0.842	20	30		CCEDRM
C#CC[C@H]1NC(=O)N(Cc2ncc(C(=O)[O-])s2)C1=O	ZINC001588434434	983470223	/nfs/dbraw/zinc/47/02/23/983470223.db2.gz	JXVSISAWTOHTQK-ZCFIWIBFSA-N	-1	0	279.277	0.285	20	30		CCEDRM
C#CCC[C@H](O)CNC(=O)N[C@H]1CC[C@@H](CC(=O)[O-])C1	ZINC001588435135	983474641	/nfs/dbraw/zinc/47/46/41/983474641.db2.gz	DKCZRMROSBVPMO-WOPDTQHZSA-N	-1	0	282.340	0.703	20	30		CCEDRM
C#CCCNC(=O)[C@@H](CCC(=O)[O-])NC(=O)OC(C)(C)C	ZINC001588453754	983477507	/nfs/dbraw/zinc/47/75/07/983477507.db2.gz	RLIZAGIZAQKXAV-SNVBAGLBSA-N	-1	0	298.339	0.884	20	30		CCEDRM
C#CCN(C)C(=O)C(=O)Nc1ccc(C(=O)[O-])c(C)c1	ZINC001588461547	983490525	/nfs/dbraw/zinc/49/05/25/983490525.db2.gz	STGLFZVGXPELDB-UHFFFAOYSA-N	-1	0	274.276	0.723	20	30		CCEDRM
C#CCN(CC#C)S(=O)(=O)CC1(C(=O)[O-])CCCCC1	ZINC001588464836	983494553	/nfs/dbraw/zinc/49/45/53/983494553.db2.gz	ONJNYVIFOJTDPN-UHFFFAOYSA-N	-1	0	297.376	0.920	20	30		CCEDRM
C#CCN1CCC[C@H](Nc2ncc(C(=O)[O-])cn2)C1	ZINC001588477629	983516890	/nfs/dbraw/zinc/51/68/90/983516890.db2.gz	XELBENCSNJSRSL-NSHDSACASA-N	-1	0	260.297	0.684	20	30		CCEDRM
C#CCNC(=O)[C@@H](C)OC(=O)C[C@H](C)CC(=O)[O-]	ZINC001588479256	983518299	/nfs/dbraw/zinc/51/82/99/983518299.db2.gz	GHQJOPXVGADHKN-RKDXNWHRSA-N	-1	0	255.270	0.168	20	30		CCEDRM
C#CCNC(=O)[C@@H](C)OC(=O)c1[nH]c(C)c(C(=O)[O-])c1C	ZINC001588479350	983519320	/nfs/dbraw/zinc/51/93/20/983519320.db2.gz	KFKKVPXJXYFAOL-SECBINFHSA-N	-1	0	292.291	0.624	20	30		CCEDRM
C#CCNC(=O)[C@H](C)N(C)Cc1ccc(C(=O)[O-])cn1	ZINC001588479631	983520932	/nfs/dbraw/zinc/52/09/32/983520932.db2.gz	WZYSDROHVAHIPO-JTQLQIEISA-N	-1	0	275.308	0.350	20	30		CCEDRM
C#CCNC(=O)CN[C@@H](C(=O)[O-])c1ccc(C)c(C)c1	ZINC001588483594	983521384	/nfs/dbraw/zinc/52/13/84/983521384.db2.gz	CFHPPIGDYVMCSP-CQSZACIVSA-N	-1	0	274.320	0.768	20	30		CCEDRM
C#CCNCC(=O)Nc1cc(C(=O)[O-])cc(OC)c1OC	ZINC001588485467	983525205	/nfs/dbraw/zinc/52/52/05/983525205.db2.gz	QLCXOWMLPVKTMZ-UHFFFAOYSA-N	-1	0	292.291	0.563	20	30		CCEDRM
C#CCOCCC(=O)N1C[C@@H]2CCC[C@]2(C(=O)[O-])C1	ZINC001588489657	983528726	/nfs/dbraw/zinc/52/87/26/983528726.db2.gz	ITKIQFNLCUFZTB-FZMZJTMJSA-N	-1	0	265.309	0.740	20	30		CCEDRM
C#CCOCCC(=O)N1C[C@H](OC)C[C@]1(C)C(=O)[O-]	ZINC001588490179	983531201	/nfs/dbraw/zinc/53/12/01/983531201.db2.gz	UPUHQOVEHLDBLT-ZWNOBZJWSA-N	-1	0	269.297	0.117	20	30		CCEDRM
C#CCOCCOC(=O)c1csc(C(=O)[O-])n1	ZINC001588491100	983534877	/nfs/dbraw/zinc/53/48/77/983534877.db2.gz	DEQVNYHXPHWYMX-UHFFFAOYSA-N	-1	0	255.251	0.648	20	30		CCEDRM
CCN([C@H](C)C#N)S(=O)(=O)CC(C)(C)C(=O)[O-]	ZINC001596177904	983547044	/nfs/dbraw/zinc/54/70/44/983547044.db2.gz	JKVBINOSSAMAKR-MRVPVSSYSA-N	-1	0	262.331	0.661	20	30		CCEDRM
C#CCSCC(=O)N(CCC(=O)[O-])C[C@H]1CCCO1	ZINC001588505207	983550235	/nfs/dbraw/zinc/55/02/35/983550235.db2.gz	YKCJKQZVGMMDID-LLVKDONJSA-N	-1	0	285.365	0.835	20	30		CCEDRM
C#CCn1cc(CNc2cc(C(=O)[O-])ncn2)cn1	ZINC001588509371	983552496	/nfs/dbraw/zinc/55/24/96/983552496.db2.gz	AVKLXCJUKHKYTC-UHFFFAOYSA-N	-1	0	257.253	0.617	20	30		CCEDRM
C#Cc1ccc(C(=O)N2CCC[C@@H](O)[C@@H]2C(=O)[O-])nc1	ZINC001588510400	983555848	/nfs/dbraw/zinc/55/58/48/983555848.db2.gz	CAICSFMIUGVBDZ-VXGBXAGGSA-N	-1	0	274.276	0.113	20	30		CCEDRM
C#C[C@H]1CC[C@H](NC(=O)Cn2ccc(C(=O)[O-])n2)CC1	ZINC001588510968	983558115	/nfs/dbraw/zinc/55/81/15/983558115.db2.gz	PLULDACIGKKTEU-XYPYZODXSA-N	-1	0	275.308	0.890	20	30		CCEDRM
C#Cc1ccccc1CC(=O)N1CCC[C@@H](O)[C@@H]1C(=O)[O-]	ZINC001588524543	983575491	/nfs/dbraw/zinc/57/54/91/983575491.db2.gz	NGAMNEVHZHENBC-UKRRQHHQSA-N	-1	0	287.315	0.647	20	30		CCEDRM
CCN(CC#N)S(=O)(=O)c1ccccc1C(=O)[O-]	ZINC001596200208	983584742	/nfs/dbraw/zinc/58/47/42/983584742.db2.gz	ORSCQUGTAQXBAV-UHFFFAOYSA-N	-1	0	268.294	0.919	20	30		CCEDRM
C=C(C)C[C@@H](CO)NS(=O)(=O)c1ccccc1C(=O)[O-]	ZINC001588536793	983595816	/nfs/dbraw/zinc/59/58/16/983595816.db2.gz	FEWVWEUEQVDYKP-JTQLQIEISA-N	-1	0	299.348	0.990	20	30		CCEDRM
C=C(C)C[C@@H](NC(=O)c1ccnc(OC)n1)C(=O)[O-]	ZINC001588547892	983621915	/nfs/dbraw/zinc/62/19/15/983621915.db2.gz	IJKJLWJBRXFSJZ-SECBINFHSA-N	-1	0	265.269	0.634	20	30		CCEDRM
C=C(C)C[C@H](Nc1ncnc2c1nnn2C)C(=O)[O-]	ZINC001588555160	983633424	/nfs/dbraw/zinc/63/34/24/983633424.db2.gz	ZXRBUDYOMLYFJZ-ZETCQYMHSA-N	-1	0	262.273	0.590	20	30		CCEDRM
C=C(C)CN(CC(=O)NCC(=O)[O-])Cc1ccc(CO)o1	ZINC001588561511	983641811	/nfs/dbraw/zinc/64/18/11/983641811.db2.gz	HLGYJSCTELZKLN-UHFFFAOYSA-N	-1	0	296.323	0.351	20	30		CCEDRM
C=C(C)CN(C)C(=O)C(=O)N[C@H]1CC[C@@H](C(=O)[O-])C1	ZINC001588561543	983641942	/nfs/dbraw/zinc/64/19/42/983641942.db2.gz	JZFVOQSFRYKRHM-ZJUUUORDSA-N	-1	0	268.313	0.390	20	30		CCEDRM
C=C(C)COCCNC(=O)C(=O)N(C)[C@H]1C[C@@H](C(=O)[O-])C1	ZINC001588569658	983649341	/nfs/dbraw/zinc/64/93/41/983649341.db2.gz	HOELRGXCHZPYPK-PHIMTYICSA-N	-1	0	298.339	0.017	20	30		CCEDRM
C=C(C)[C@H]1OCC[C@H]1C(=O)N1CC[C@](F)(C(=O)[O-])C1	ZINC001588599607	983690915	/nfs/dbraw/zinc/69/09/15/983690915.db2.gz	ZGEQGFPPYMSWDQ-GIPNMCIBSA-N	-1	0	271.288	0.993	20	30		CCEDRM
C=C(CCC(=O)[O-])C(=O)N(C)CCCC(=O)NC	ZINC001588606976	983699420	/nfs/dbraw/zinc/69/94/20/983699420.db2.gz	NKYJSXVJCFZZJW-UHFFFAOYSA-N	-1	0	256.302	0.392	20	30		CCEDRM
C=C(CCC(=O)[O-])C(=O)N1CCC[C@@H](C(=O)N(C)C)C1	ZINC001588614657	983708161	/nfs/dbraw/zinc/70/81/61/983708161.db2.gz	ZDABGQBNXUKZQE-LLVKDONJSA-N	-1	0	282.340	0.734	20	30		CCEDRM
C=C(CCC(=O)[O-])C(=O)N1C[C@](C)(CO)[C@](C)(CO)C1	ZINC001588619354	983716222	/nfs/dbraw/zinc/71/62/22/983716222.db2.gz	RBLXMZCWPGOZIT-OKILXGFUSA-N	-1	0	285.340	0.247	20	30		CCEDRM
C=C(CCC(=O)[O-])C(=O)N[C@@H](CC(N)=O)C1CCOCC1	ZINC001588622235	983722433	/nfs/dbraw/zinc/72/24/33/983722433.db2.gz	SDVYNOQKUZRZSH-NSHDSACASA-N	-1	0	298.339	0.194	20	30		CCEDRM
C=C(CCC(=O)[O-])C(=O)N[C@@H](CO)C1CCOCC1	ZINC001588622434	983723683	/nfs/dbraw/zinc/72/36/83/983723683.db2.gz	YDWASBPTGUEKTK-NSHDSACASA-N	-1	0	271.313	0.311	20	30		CCEDRM
C=C(CCC(=O)[O-])C(=O)NCC(=O)c1cncs1	ZINC001588623541	983728535	/nfs/dbraw/zinc/72/85/35/983728535.db2.gz	SEZOQFFCPPNLRC-UHFFFAOYSA-N	-1	0	268.294	0.863	20	30		CCEDRM
C=C(CO)C(=O)N(Cc1ccccc1)[C@H](C(=O)[O-])[C@@H](C)O	ZINC001588637391	983759809	/nfs/dbraw/zinc/75/98/09/983759809.db2.gz	NOQBNZIVYLSGQS-YPMHNXCESA-N	-1	0	293.319	0.398	20	30		CCEDRM
C=C1CN(C(=O)COCc2ocnc2C(=O)[O-])C1	ZINC001588650722	983773044	/nfs/dbraw/zinc/77/30/44/983773044.db2.gz	NIUHTVXVDMNUEN-UHFFFAOYSA-N	-1	0	252.226	0.288	20	30		CCEDRM
C=C[C@H](C(=O)[O-])N1CCC[C@](O)(Cc2nc(CC)no2)C1	ZINC001588664080	983798156	/nfs/dbraw/zinc/79/81/56/983798156.db2.gz	SIZROTNLKBRAKX-YGRLFVJLSA-N	-1	0	295.339	0.641	20	30		CCEDRM
C=C[C@H](C(=O)[O-])N1CCC[C@H](OC(=O)N(C)C)C1	ZINC001588664135	983798984	/nfs/dbraw/zinc/79/89/84/983798984.db2.gz	SYFIGWIAESPUMN-VHSXEESVSA-N	-1	0	256.302	0.788	20	30		CCEDRM
CCN(CCc1cn(CC(=O)[O-])nn1)[C@@H](C)C#N	ZINC001596351843	983809875	/nfs/dbraw/zinc/80/98/75/983809875.db2.gz	IBFJVRVGPOBJCS-VIFPVBQESA-N	-1	0	251.290	0.139	20	30		CCEDRM
C=C[C@H](C(=O)[O-])N1CCN(c2nccnc2C)CC1	ZINC001588669376	983811896	/nfs/dbraw/zinc/81/18/96/983811896.db2.gz	JXJMBEXCQIFAGA-LLVKDONJSA-N	-1	0	262.313	0.546	20	30		CCEDRM
C=C[C@@](C)(CCOC)C(=O)NC[C@H](O)CC(=O)[O-]	ZINC001588682304	983843332	/nfs/dbraw/zinc/84/33/32/983843332.db2.gz	LEMCTFHMGSCUIT-SKDRFNHKSA-N	-1	0	259.302	0.167	20	30		CCEDRM
C=C[C@](C)(O)CC(=O)N1CCC[C@]1(COC)C(=O)[O-]	ZINC001588683682	983849553	/nfs/dbraw/zinc/84/95/53/983849553.db2.gz	BTMDKFOCWLPAON-STQMWFEESA-N	-1	0	271.313	0.406	20	30		CCEDRM
C=C[C@](C)(O)CC(=O)N[C@@H](CC(F)F)C(=O)[O-]	ZINC001588683853	983852557	/nfs/dbraw/zinc/85/25/57/983852557.db2.gz	FWXUXXXUFYLZKF-WKEGUHRASA-N	-1	0	251.229	0.538	20	30		CCEDRM
C=C[C@@](C)(O)CC(=O)N(CCC(=O)[O-])C[C@@H]1CCCO1	ZINC001588684758	983863288	/nfs/dbraw/zinc/86/32/88/983863288.db2.gz	XQWLPQIQQXVJCD-SMDDNHRTSA-N	-1	0	285.340	0.796	20	30		CCEDRM
C=C[C@H](C)NC(=O)N1CCC[C@@H](n2cc(C(=O)[O-])nn2)C1	ZINC001588687614	983871403	/nfs/dbraw/zinc/87/14/03/983871403.db2.gz	QKBHAGKAYUQLHR-VHSXEESVSA-N	-1	0	293.327	0.897	20	30		CCEDRM
C=C[C@@H](COC)NC(=O)C(=O)NC1CCC(C(=O)[O-])CC1	ZINC001588692824	983887665	/nfs/dbraw/zinc/88/76/65/983887665.db2.gz	KJVNAWCEIPNOIF-YVNMAJEFSA-N	-1	0	298.339	0.063	20	30		CCEDRM
C=C[C@@H](OC(=O)CC[C@@H]1C[C@H](C(=O)OC)CO1)C(=O)[O-]	ZINC001588710707	983933896	/nfs/dbraw/zinc/93/38/96/983933896.db2.gz	HXLVXDAGEABRCF-IVZWLZJFSA-N	-1	0	286.280	0.527	20	30		CCEDRM
C=C[C@H](OC(=O)C1CCN(C(C)=O)CC1)C(=O)[O-]	ZINC001588711731	983939383	/nfs/dbraw/zinc/93/93/83/983939383.db2.gz	QWSJFMWBKXOPJZ-JTQLQIEISA-N	-1	0	255.270	0.427	20	30		CCEDRM
C=C[C@H](OC(=O)[C@H]1CCc2cnn(C)c2C1)C(=O)[O-]	ZINC001588712586	983945406	/nfs/dbraw/zinc/94/54/06/983945406.db2.gz	XOFIANFDWSHOCP-KWQFWETISA-N	-1	0	264.281	0.707	20	30		CCEDRM
C=C[C@H](OC(=O)c1csc(C(=O)OC)n1)C(=O)[O-]	ZINC001588712880	983947065	/nfs/dbraw/zinc/94/70/65/983947065.db2.gz	OJMOSERABUPXQR-LURJTMIESA-N	-1	0	271.250	0.726	20	30		CCEDRM
C=CC[C@@H](C(=O)OC)N1CCC([C@H](O)C(=O)[O-])CC1	ZINC001588732014	984014682	/nfs/dbraw/zinc/01/46/82/984014682.db2.gz	UFZQZMPXFMXJOE-QWRGUYRKSA-N	-1	0	271.313	0.262	20	30		CCEDRM
C=CC[C@H](Nc1cnn(CCN2CCOCC2)c1)C(=O)[O-]	ZINC001588751617	984077654	/nfs/dbraw/zinc/07/76/54/984077654.db2.gz	PBJIDGOJDRFNQC-ZDUSSCGKSA-N	-1	0	294.355	0.657	20	30		CCEDRM
C=CC[C@@H](OC(=O)[C@H]1COCCN1CC(F)F)C(=O)[O-]	ZINC001588753642	984087574	/nfs/dbraw/zinc/08/75/74/984087574.db2.gz	LDVGKPRHQBZCOE-RKDXNWHRSA-N	-1	0	293.266	0.525	20	30		CCEDRM
C=CC[C@H](OC(=O)c1ccc(=O)n(CC)n1)C(=O)[O-]	ZINC001588757021	984100901	/nfs/dbraw/zinc/10/09/01/984100901.db2.gz	SGRVGQIRMSSJQG-VIFPVBQESA-N	-1	0	266.253	0.449	20	30		CCEDRM
C=CC[C@@H](Sc1nnc(CCC(N)=O)n1C)C(=O)[O-]	ZINC001588761895	984114285	/nfs/dbraw/zinc/11/42/85/984114285.db2.gz	CXICMCRZRUTXCD-SSDOTTSWSA-N	-1	0	284.341	0.354	20	30		CCEDRM
C=CC[C@H](Sc1nnc(N2CCOCC2)n1C)C(=O)[O-]	ZINC001588762266	984115411	/nfs/dbraw/zinc/11/54/11/984115411.db2.gz	HOCABVKQCAXZTO-VIFPVBQESA-N	-1	0	298.368	0.773	20	30		CCEDRM
C=CCCC(=O)NC[C@@H](O)CNc1ncc(C(=O)[O-])cn1	ZINC001588773855	984149798	/nfs/dbraw/zinc/14/97/98/984149798.db2.gz	LNCWVHKKDVHXKK-SNVBAGLBSA-N	-1	0	294.311	0.030	20	30		CCEDRM
C=CCCC(=O)O[C@@H]1COC[C@H]1n1cc(C(=O)[O-])nn1	ZINC001588776900	984153987	/nfs/dbraw/zinc/15/39/87/984153987.db2.gz	MMQZTKPOFDRDNZ-NXEZZACHSA-N	-1	0	281.268	0.426	20	30		CCEDRM
C=CCCC(=O)NCCN(CC)C(=O)[C@H]1C[C@H]1C(=O)[O-]	ZINC001588777015	984154937	/nfs/dbraw/zinc/15/49/37/984154937.db2.gz	RIEBVOGJWGANLO-WDEREUQCSA-N	-1	0	282.340	0.638	20	30		CCEDRM
C=CCC[C@@H](CO)NC(=O)CCCn1ccc(C(=O)[O-])n1	ZINC001588778141	984159329	/nfs/dbraw/zinc/15/93/29/984159329.db2.gz	ULBWILJNWADLOC-NSHDSACASA-N	-1	0	295.339	0.805	20	30		CCEDRM
C=CCCC[C@H](NC(=O)[C@H](C)[C@@H]1CCC(=O)N1)C(=O)[O-]	ZINC001588787336	984186242	/nfs/dbraw/zinc/18/62/42/984186242.db2.gz	VOFOPMSHZHEHNR-VWYCJHECSA-N	-1	0	282.340	0.827	20	30		CCEDRM
C=CCCC[C@H](NC(=O)CN(C)C(=O)OC)C(=O)[O-]	ZINC001588789076	984196121	/nfs/dbraw/zinc/19/61/21/984196121.db2.gz	XGJBYRSVLWPNHZ-VIFPVBQESA-N	-1	0	272.301	0.610	20	30		CCEDRM
C=CCCC[C@@H](NC(=O)[C@@H]1CCN(C)C1=O)C(=O)[O-]	ZINC001588789798	984200903	/nfs/dbraw/zinc/20/09/03/984200903.db2.gz	JWGUQYMEWBERQG-VHSXEESVSA-N	-1	0	268.313	0.390	20	30		CCEDRM
C=CCCC[C@@H](NC(=O)[C@H]1CCC(=O)NC1)C(=O)[O-]	ZINC001588790330	984205895	/nfs/dbraw/zinc/20/58/95/984205895.db2.gz	VOCCCHFCWABRIS-VHSXEESVSA-N	-1	0	268.313	0.438	20	30		CCEDRM
C=CCCC[C@H](NC(=O)c1cn(C)c(=O)[nH]c1=O)C(=O)[O-]	ZINC001588792752	984212652	/nfs/dbraw/zinc/21/26/52/984212652.db2.gz	DHFAUABRSXSWGA-VIFPVBQESA-N	-1	0	295.295	0.025	20	30		CCEDRM
C=CCCC[C@@H](NC(=O)c1ccc2n[nH]nc2n1)C(=O)[O-]	ZINC001588793068	984215934	/nfs/dbraw/zinc/21/59/34/984215934.db2.gz	KXIGBVQFSMWYLV-SNVBAGLBSA-N	-1	0	289.295	0.892	20	30		CCEDRM
C=CCCC[C@@H](NC(=O)Cn1ccc([N+](=O)[O-])n1)C(=O)[O-]	ZINC001588794192	984225557	/nfs/dbraw/zinc/22/55/57/984225557.db2.gz	NXNYOWFJDFBVIO-SECBINFHSA-N	-1	0	296.283	0.717	20	30		CCEDRM
C=CCCC[C@H](NC(=O)c1cnn(C)c1N)C(=O)[O-]	ZINC001588797273	984228996	/nfs/dbraw/zinc/22/89/96/984228996.db2.gz	AONYTXJTKDUVJL-VIFPVBQESA-N	-1	0	266.301	0.542	20	30		CCEDRM
C=CCCC[C@@H](NS(=O)(=O)c1c[nH]nc1C)C(=O)[O-]	ZINC001588798645	984237823	/nfs/dbraw/zinc/23/78/23/984237823.db2.gz	MSTJQSRVJHXOTL-SECBINFHSA-N	-1	0	287.341	0.806	20	30		CCEDRM
C=CCCN(C)C(=O)Cn1cccc(C(=O)[O-])c1=O	ZINC001588805597	984254699	/nfs/dbraw/zinc/25/46/99/984254699.db2.gz	HENJMTHCRKKCPM-UHFFFAOYSA-N	-1	0	264.281	0.581	20	30		CCEDRM
C=CCCN(C)C(=O)C(=O)N1CC[C@@]2(C(=O)[O-])CCC[C@@H]12	ZINC001588805948	984256538	/nfs/dbraw/zinc/25/65/38/984256538.db2.gz	VPTJMGIPJZASNL-ABAIWWIYSA-N	-1	0	294.351	0.877	20	30		CCEDRM
C=CCN1C(=O)C(=O)N(C[C@H]2CCCC[C@H]2C(=O)[O-])C1=O	ZINC001588832607	984324398	/nfs/dbraw/zinc/32/43/98/984324398.db2.gz	SQLRNSYGNWCIGK-NXEZZACHSA-N	-1	0	294.307	0.854	20	30		CCEDRM
C=CCNC(=O)Cc1noc([C@H]2CC[C@H]2C(=O)[O-])n1	ZINC001588844725	984359373	/nfs/dbraw/zinc/35/93/73/984359373.db2.gz	QGFVLHKDRTZERK-JGVFFNPUSA-N	-1	0	265.269	0.493	20	30		CCEDRM
C=CCNc1ncc(C(=O)N[C@@](C)(CO)C(=O)[O-])s1	ZINC001588849293	984370155	/nfs/dbraw/zinc/37/01/55/984370155.db2.gz	ITQCJZDEHALDGI-NSHDSACASA-N	-1	0	285.325	0.306	20	30		CCEDRM
C=CCOC(=O)[C@@H](N)CC(=O)N1CC[C@@H](C(=O)[O-])[C@@H](C)C1	ZINC001588849706	984374851	/nfs/dbraw/zinc/37/48/51/984374851.db2.gz	GUJVYMWRMFYLSY-AXFHLTTASA-N	-1	0	298.339	0.002	20	30		CCEDRM
C=CCO[C@@H]1CCN(C(=O)Nc2nn(C)cc2C(=O)[O-])C1	ZINC001588849934	984376884	/nfs/dbraw/zinc/37/68/84/984376884.db2.gz	PNVFQRXUYMPHQB-SECBINFHSA-N	-1	0	294.311	0.927	20	30		CCEDRM
C=CCOC[C@H](NC(=O)C(C)(C)OC(C)=O)C(=O)[O-]	ZINC001588850737	984379939	/nfs/dbraw/zinc/37/99/39/984379939.db2.gz	BDQAPWXDOPGBHA-VIFPVBQESA-N	-1	0	273.285	0.100	20	30		CCEDRM
C=CCOC[C@@H](NC(=O)[C@H](C)C(F)(F)F)C(=O)[O-]	ZINC001588850957	984381932	/nfs/dbraw/zinc/38/19/32/984381932.db2.gz	LXKGDAWDPRDNOC-NKWVEPMBSA-N	-1	0	269.219	0.957	20	30		CCEDRM
C=CCOC[C@H](NC(=O)C1(C(=O)OCC)CCC1)C(=O)[O-]	ZINC001588855175	984391501	/nfs/dbraw/zinc/39/15/01/984391501.db2.gz	AVWQWNCASHSBBM-JTQLQIEISA-N	-1	0	299.323	0.492	20	30		CCEDRM
C=CCOC[C@@H](NC(=O)C1(Br)CC1)C(=O)[O-]	ZINC001588855640	984394712	/nfs/dbraw/zinc/39/47/12/984394712.db2.gz	NJLFGXQLGPGFEL-SSDOTTSWSA-N	-1	0	292.129	0.686	20	30		CCEDRM
C=CCOC[C@H](NC(=O)[C@@H]1[C@@H](C)C1(F)F)C(=O)[O-]	ZINC001588856123	984397066	/nfs/dbraw/zinc/39/70/66/984397066.db2.gz	CTTHMUGZQSRJOX-CSMHCCOUSA-N	-1	0	263.240	0.660	20	30		CCEDRM
C=CCOC[C@H](NC(=O)COc1ccc(O)cc1)C(=O)[O-]	ZINC001588856614	984401357	/nfs/dbraw/zinc/40/13/57/984401357.db2.gz	NSMKCZOMBYGNFU-LBPRGKRZSA-N	-1	0	295.291	0.543	20	30		CCEDRM
C=CCOC[C@H](NC(=O)c1cncc2[nH]ccc21)C(=O)[O-]	ZINC001588860250	984411708	/nfs/dbraw/zinc/41/17/08/984411708.db2.gz	NQZNEMLHRAQAGI-LBPRGKRZSA-N	-1	0	289.291	0.949	20	30		CCEDRM
C=CCOC[C@H](NC(=O)c1cccc2[nH]cnc21)C(=O)[O-]	ZINC001588862372	984418569	/nfs/dbraw/zinc/41/85/69/984418569.db2.gz	WOCLPAIOZUPRSA-NSHDSACASA-N	-1	0	289.291	0.949	20	30		CCEDRM
C=CCOC[C@@H](NCc1[nH]nc(C)c1C)C(=O)[O-]	ZINC001588866362	984424463	/nfs/dbraw/zinc/42/44/63/984424463.db2.gz	MQGYIRDHXCPYRM-LLVKDONJSA-N	-1	0	253.302	0.772	20	30		CCEDRM
C=CCONC(=O)NCc1ncc(C(=O)[O-])s1	ZINC001588868522	984433074	/nfs/dbraw/zinc/43/30/74/984433074.db2.gz	JBKVRMYKAGQBJQ-UHFFFAOYSA-N	-1	0	257.271	0.758	20	30		CCEDRM
C=CCOc1cccnc1C(=O)NC[C@H](O)CC(=O)[O-]	ZINC001588877274	984452130	/nfs/dbraw/zinc/45/21/30/984452130.db2.gz	GMOZNAUAERQOHK-SECBINFHSA-N	-1	0	280.280	0.212	20	30		CCEDRM
C=CCOc1cccnc1C(=O)NC[C@H](F)C(=O)[O-]	ZINC001588877495	984453923	/nfs/dbraw/zinc/45/39/23/984453923.db2.gz	UEGPRSVBPHAKFR-QMMMGPOBSA-N	-1	0	268.244	0.799	20	30		CCEDRM
C=CCSCCN1C(=O)N[C@H]([C@@H]2C[C@H]2C(=O)[O-])C1=O	ZINC001588878594	984454511	/nfs/dbraw/zinc/45/45/11/984454511.db2.gz	FHKDVKOLMBGUMA-IWSPIJDZSA-N	-1	0	284.337	0.547	20	30		CCEDRM
C=CCS(=O)(=O)CCNc1nccnc1C(=O)[O-]	ZINC001588878799	984454967	/nfs/dbraw/zinc/45/49/67/984454967.db2.gz	JGUQUFCABAZCFL-UHFFFAOYSA-N	-1	0	271.298	0.188	20	30		CCEDRM
C=CCn1c(CCOC)nnc1N1CC[C@H](C(=O)[O-])C1	ZINC001588901615	984524885	/nfs/dbraw/zinc/52/48/85/984524885.db2.gz	XDFJMKVQTIWBLB-JTQLQIEISA-N	-1	0	280.328	0.564	20	30		CCEDRM
C=CCn1cc(C(=O)Nc2ncc(C(=O)[O-])s2)nn1	ZINC001588910083	984547361	/nfs/dbraw/zinc/54/73/61/984547361.db2.gz	KBIWFXASQDICDH-UHFFFAOYSA-N	-1	0	279.281	0.871	20	30		CCEDRM
C=CCn1cc(C(=O)N2CCSC[C@@H]2C(=O)[O-])nn1	ZINC001588910291	984548363	/nfs/dbraw/zinc/54/83/63/984548363.db2.gz	OWTYDLRMHUPNNG-SECBINFHSA-N	-1	0	282.325	0.106	20	30		CCEDRM
C=C[C@@H]1OCC[C@H]1CN1C(=O)N[C@@H]([C@@H]2C[C@H]2C(=O)[O-])C1=O	ZINC001588916655	984562298	/nfs/dbraw/zinc/56/22/98/984562298.db2.gz	XSYZEZFEAYWPCF-GEVSDDDWSA-N	-1	0	294.307	0.219	20	30		CCEDRM
C=C[C@@H]1OCC[C@H]1NC(=O)COCc1ocnc1C(=O)[O-]	ZINC001588918028	984569186	/nfs/dbraw/zinc/56/91/86/984569186.db2.gz	RDYVCJHGZGPOFK-BDAKNGLRSA-N	-1	0	296.279	0.349	20	30		CCEDRM
CC#CC[C@H](CO)NS(=O)(=O)CCCCCC(=O)[O-]	ZINC001588924826	984583728	/nfs/dbraw/zinc/58/37/28/984583728.db2.gz	FTNQDJLPKMLTCY-LLVKDONJSA-N	-1	0	291.369	0.325	20	30		CCEDRM
CC#CC(=O)N1CC[C@H](C(=O)[O-])C[C@@H]1[C@@H]1CCCO1	ZINC001588926336	984593185	/nfs/dbraw/zinc/59/31/85/984593185.db2.gz	SFCMIGXFNFWRSM-TUAOUCFPSA-N	-1	0	265.309	0.881	20	30		CCEDRM
CC#CC[C@@H](CO)NC(=O)Nc1cc(C(=O)[O-])n(C)c1	ZINC001588926483	984594546	/nfs/dbraw/zinc/59/45/46/984594546.db2.gz	ZSNQSXUGVDSWSY-VIFPVBQESA-N	-1	0	279.296	0.619	20	30		CCEDRM
CC(=NN[C@@H]1CCOC1(C)C)c1cn(CC(=O)[O-])nn1	ZINC001589016773	984997790	/nfs/dbraw/zinc/99/77/90/984997790.db2.gz	HQFXFGQQIQMOCF-SNVBAGLBSA-N	-1	0	281.316	0.244	20	30		CCEDRM
CC(N=Nc1ncc(Cl)cn1)c1cn(CC(=O)[O-])nn1	ZINC001589017504	985005431	/nfs/dbraw/zinc/00/54/31/985005431.db2.gz	SVVMEDKSLRKJJG-UHFFFAOYSA-N	-1	0	295.690	0.642	20	30		CCEDRM
C[C@H]1CN(C(=O)Nc2cccc(C#N)n2)C[C@@H](C(=O)[O-])O1	ZINC001599922283	985152175	/nfs/dbraw/zinc/15/21/75/985152175.db2.gz	GYRUENIKSPOKHG-WPRPVWTQSA-N	-1	0	290.279	0.659	20	30		CCEDRM
C[C@@H]1CN([C@H](C(=O)[O-])c2ccc(C#N)cc2)C[C@@H](CO)O1	ZINC001594501967	985689570	/nfs/dbraw/zinc/68/95/70/985689570.db2.gz	QNIUHJDFRIEKIT-SWHYSGLUSA-N	-1	0	290.319	0.766	20	30		CCEDRM
C[C@@H](C#N)C(=O)N1CCc2ccc(C(=O)[O-])nc2C1	ZINC001589328677	986159059	/nfs/dbraw/zinc/15/90/59/986159059.db2.gz	GLQJMUHMGRZHBD-QMMMGPOBSA-N	-1	0	259.265	0.824	20	30		CCEDRM
C[C@H](C#N)CNS(=O)(=O)c1ccc(C#N)cc1C(=O)[O-]	ZINC001589330652	986176175	/nfs/dbraw/zinc/17/61/75/986176175.db2.gz	MEYGKJKUYWIIIJ-MRVPVSSYSA-N	-1	0	293.304	0.694	20	30		CCEDRM
C[C@H](C#N)CN(C)S(=O)(=O)CC(C)(C)C(=O)[O-]	ZINC001589330854	986179307	/nfs/dbraw/zinc/17/93/07/986179307.db2.gz	SESPAIKJCACBAH-MRVPVSSYSA-N	-1	0	262.331	0.518	20	30		CCEDRM
Cc1c(C(=O)[O-])cc(C=NN[C@@H]2CCS(=O)(=O)C2)n1C	ZINC001599984124	986207134	/nfs/dbraw/zinc/20/71/34/986207134.db2.gz	BFAQZEISIHTJMB-SECBINFHSA-N	-1	0	299.352	0.142	20	30		CCEDRM
CC[C@@H](C#N)C(=O)N[C@]1(CC(=O)[O-])CCCOC1	ZINC001594722035	987208042	/nfs/dbraw/zinc/20/80/42/987208042.db2.gz	HPQZIHCYNZBWRR-CABZTGNLSA-N	-1	0	254.286	0.676	20	30		CCEDRM
C[C@H](C(=O)OC1CC(CC(=O)[O-])C1)n1cnc(C#N)n1	ZINC001589544004	987262794	/nfs/dbraw/zinc/26/27/94/987262794.db2.gz	UMPAWZWLEVRNAX-AFPNSQJFSA-N	-1	0	278.268	0.507	20	30		CCEDRM
CC(C)(C#N)CC(=O)NC[C@@]1(C(=O)[O-])CCOC1	ZINC001589554234	987299341	/nfs/dbraw/zinc/29/93/41/987299341.db2.gz	YZZFJQRPVSRUBJ-LBPRGKRZSA-N	-1	0	254.286	0.534	20	30		CCEDRM
CCc1[nH]c(C(=O)N[C@H]2CCN(O)C2=O)c(C)c1C(=O)[O-]	ZINC001597366945	987539716	/nfs/dbraw/zinc/53/97/16/987539716.db2.gz	LDMUDGXOAQEEFE-QMMMGPOBSA-N	-1	0	295.295	0.304	20	30		CCEDRM
CC(C)(C)C#CC(=O)N1CCC[C@@H](O)[C@@H]1C(=O)[O-]	ZINC001589682015	987716798	/nfs/dbraw/zinc/71/67/98/987716798.db2.gz	LYFSXXVXZCNJTG-MWLCHTKSSA-N	-1	0	253.298	0.472	20	30		CCEDRM
CC(C)(C(N)=O)C(=O)O[C@@H](C(=O)[O-])c1ccc(C#N)cc1	ZINC001589682074	987717722	/nfs/dbraw/zinc/71/77/22/987717722.db2.gz	OWPMDPBUJCFPRL-SNVBAGLBSA-N	-1	0	290.275	0.739	20	30		CCEDRM
CCc1cc(CC(=O)N(CC#N)CCC(=O)[O-])n(C)n1	ZINC001597471564	987937113	/nfs/dbraw/zinc/93/71/13/987937113.db2.gz	UHWBDCCBPODUQT-UHFFFAOYSA-N	-1	0	278.312	0.352	20	30		CCEDRM
C[C@@H]1C[C@H](C(=O)N2CC(C)(C#N)C2)O[C@H]1C(=O)[O-]	ZINC001599871872	989363068	/nfs/dbraw/zinc/36/30/68/989363068.db2.gz	GUHWWPFGQHPQKK-IWSPIJDZSA-N	-1	0	252.270	0.237	20	30		CCEDRM
C[C@@H]1C[C@H](C(=O)OCc2nc(C#N)cs2)O[C@H]1C(=O)[O-]	ZINC001599879454	989463776	/nfs/dbraw/zinc/46/37/76/989463776.db2.gz	RKJBYIDMQKTYKR-GTNGPMTGSA-N	-1	0	296.304	0.936	20	30		CCEDRM
CN(C)c1ccc(C(=O)N(CC#N)CC(=O)[O-])c(F)c1	ZINC001598307645	991276039	/nfs/dbraw/zinc/27/60/39/991276039.db2.gz	CPWBEIVHNUUXQU-UHFFFAOYSA-N	-1	0	279.271	0.942	20	30		CCEDRM
COc1nc(N2CCO[C@H](C#N)C2)ccc1C(=O)[O-]	ZINC001599730422	991702052	/nfs/dbraw/zinc/70/20/52/991702052.db2.gz	IMDVGQUISIGBOC-MRVPVSSYSA-N	-1	0	263.253	0.517	20	30		CCEDRM
CN(CC(C)(C)C#N)S(=O)(=O)[C@H]1C[C@@H](C(=O)[O-])C1	ZINC001598420480	991757612	/nfs/dbraw/zinc/75/76/12/991757612.db2.gz	ZQTHDIPLFJTAQI-DTORHVGOSA-N	-1	0	274.342	0.661	20	30		CCEDRM
CN(C[C@@H](O)c1cccc(C#N)c1)C(=O)[C@H]1C[C@H]1C(=O)[O-]	ZINC001598436031	991823948	/nfs/dbraw/zinc/82/39/48/991823948.db2.gz	BGCMEAVGXUDKGO-YNEHKIRRSA-N	-1	0	288.303	0.771	20	30		CCEDRM
CC(C)C[C@@H](NC(=O)Cn1ccc(C#N)cc1=O)C(=O)[O-]	ZINC001591177482	991972272	/nfs/dbraw/zinc/97/22/72/991972272.db2.gz	HITZSCHNSKQDNN-LLVKDONJSA-N	-1	0	291.307	0.335	20	30		CCEDRM
CS(=O)(=O)CCCN1CCC(C#N)(C(=O)[O-])CC1	ZINC001599750819	991989282	/nfs/dbraw/zinc/98/92/82/991989282.db2.gz	MKDMIXYUVLCBOF-UHFFFAOYSA-N	-1	0	274.342	0.111	20	30		CCEDRM
CC(C)C[C@H](OC(=O)[C@@H](C)n1cnc(C#N)n1)C(=O)[O-]	ZINC001591188355	991995021	/nfs/dbraw/zinc/99/50/21/991995021.db2.gz	SKYNRSFJKQOMTD-BDAKNGLRSA-N	-1	0	280.284	0.753	20	30		CCEDRM
CN(CCNc1ncccc1C#N)C(=O)[C@@H]1C[C@@H]1C(=O)[O-]	ZINC001598495786	992358719	/nfs/dbraw/zinc/35/87/19/992358719.db2.gz	OBXVFXNEYCDHSE-MNOVXSKESA-N	-1	0	288.307	0.544	20	30		CCEDRM
CC(C)COC[C@H](O)Cn1cc(C(=O)[O-])cc(C#N)c1=O	ZINC001591390056	992439464	/nfs/dbraw/zinc/43/94/64/992439464.db2.gz	KTJZWHRDXBVPIP-GFCCVEGCSA-N	-1	0	294.307	0.452	20	30		CCEDRM
CC(C)N(CC(=O)[O-])C(=O)[C@@H](C)n1cnc(C#N)n1	ZINC001591561260	992763650	/nfs/dbraw/zinc/76/36/50/992763650.db2.gz	MMBPJUGHJAAYDK-MRVPVSSYSA-N	-1	0	265.273	0.032	20	30		CCEDRM
CC(C)N(CCC#N)C(=O)CN1CCC[C@@H](C(=O)[O-])C1=O	ZINC001591574602	992783775	/nfs/dbraw/zinc/78/37/75/992783775.db2.gz	MPKIQQXUSKTXAR-LLVKDONJSA-N	-1	0	295.339	0.460	20	30		CCEDRM
COc1cccc(CC(=O)N(CC#N)CC(=O)[O-])n1	ZINC001599665842	994728247	/nfs/dbraw/zinc/72/82/47/994728247.db2.gz	RYHRLGUPIQTRCW-UHFFFAOYSA-N	-1	0	263.253	0.069	20	30		CCEDRM
COC(=O)C1(C#N)CCN(C/C(C)=C\C(=O)[O-])CC1	ZINC001598716563	995417162	/nfs/dbraw/zinc/41/71/62/995417162.db2.gz	MVBXAFQRVZKOJE-YFHOEESVSA-N	-1	0	266.297	0.796	20	30		CCEDRM
C[C@@H](OC(=O)CC#Cc1ccccc1)C(=O)NCC(=O)[O-]	ZINC001593517029	995550755	/nfs/dbraw/zinc/55/07/55/995550755.db2.gz	SVJXCOKZOHYUFN-LLVKDONJSA-N	-1	0	289.287	0.561	20	30		CCEDRM
C[C@H](Oc1ccc(C#N)cc1)C(=O)N[C@H](CF)C(=O)[O-]	ZINC001593611489	995808263	/nfs/dbraw/zinc/80/82/63/995808263.db2.gz	CIBVNEJWXXTTRS-GZMMTYOYSA-N	-1	0	280.255	0.864	20	30		CCEDRM
C[C@H](Oc1ccccc1C#N)C(=O)NC[C@H](F)C(=O)[O-]	ZINC001593641517	995952761	/nfs/dbraw/zinc/95/27/61/995952761.db2.gz	ONIMSDLMXDYICZ-WPRPVWTQSA-N	-1	0	280.255	0.864	20	30		CCEDRM
C[C@@H](Sc1ccc(C#N)cn1)C(=O)NCC(=O)[O-]	ZINC001593664261	996050237	/nfs/dbraw/zinc/05/02/37/996050237.db2.gz	KMJYOUFZWGBLOO-SSDOTTSWSA-N	-1	0	265.294	0.635	20	30		CCEDRM
COC(=O)[C@H]1CN(C(=O)C#CC(C)(C)C)C[C@H]1C(=O)[O-]	ZINC001598804187	996168611	/nfs/dbraw/zinc/16/86/11/996168611.db2.gz	STHIWKJDPUHCNC-ZJUUUORDSA-N	-1	0	281.308	0.368	20	30		CCEDRM
C[C@]1(C#N)CCN(CN2C[C@@H](C(=O)[O-])OC2=O)C1	ZINC001593743230	996366418	/nfs/dbraw/zinc/36/64/18/996366418.db2.gz	SSEJPCWYWZOACE-GZMMTYOYSA-N	-1	0	253.258	0.085	20	30		CCEDRM
C[C@]1(C#N)CCN(C(=O)Cn2ccc(C(=O)[O-])n2)C1	ZINC001593743262	996366693	/nfs/dbraw/zinc/36/66/93/996366693.db2.gz	UXKSHGIKTSQWKF-GFCCVEGCSA-N	-1	0	262.269	0.343	20	30		CCEDRM
CC1(C)C[C@@]1(C#N)NC(=O)CN1CCC[C@H](C(=O)[O-])C1=O	ZINC001593864100	996665698	/nfs/dbraw/zinc/66/56/98/996665698.db2.gz	QTEDPJVICGUUEX-XPTSAGLGSA-N	-1	0	293.323	0.118	20	30		CCEDRM
COC[C@H](O)C(=O)OCc1cccc(C(=O)[O-])c1C#N	ZINC001599178233	996894534	/nfs/dbraw/zinc/89/45/34/996894534.db2.gz	MAJMKGVOCKIGEK-NSHDSACASA-N	-1	0	279.248	0.307	20	30		CCEDRM
COc1ccc(C(=O)[O-])c(S(=O)(=O)N2CC(C#N)C2)c1	ZINC001599491644	996949747	/nfs/dbraw/zinc/94/97/47/996949747.db2.gz	FOKOYTGRZBBGOS-UHFFFAOYSA-N	-1	0	296.304	0.537	20	30		CCEDRM
CON=Cc1ccc(C(=O)N[C@@]2(C(=O)[O-])C[C@@H](O)C2)cc1	ZINC001599320047	997565799	/nfs/dbraw/zinc/56/57/99/997565799.db2.gz	ANOHMTCDHCCJPG-VDISTLRHSA-N	-1	0	292.291	0.375	20	30		CCEDRM
CO[C@@H]1CCN(C(=O)c2ccc(C#N)o2)[C@@H](C(=O)[O-])C1	ZINC001599119399	997710997	/nfs/dbraw/zinc/71/09/97/997710997.db2.gz	CPFAWKAAZWFBCW-PSASIEDQSA-N	-1	0	278.264	0.855	20	30		CCEDRM
COCCN(CC#N)C(=O)[C@@H]1CCC[C@H](C(=O)[O-])C1	ZINC001599230851	997850576	/nfs/dbraw/zinc/85/05/76/997850576.db2.gz	DCOOESPJUQQYNP-MNOVXSKESA-N	-1	0	268.313	0.876	20	30		CCEDRM
COCCN(CC#N)C(=O)CC(C)(C)CC(=O)[O-]	ZINC001599231767	997872993	/nfs/dbraw/zinc/87/29/93/997872993.db2.gz	WEVRHWJWNWWDMJ-UHFFFAOYSA-N	-1	0	256.302	0.876	20	30		CCEDRM
CO[C@@H]1CN(C(=O)c2ccc(C#N)[nH]2)[C@@](C)(C(=O)[O-])C1	ZINC001599128555	997897198	/nfs/dbraw/zinc/89/71/98/997897198.db2.gz	BIKOBXIPWIWGQZ-TVQRCGJNSA-N	-1	0	277.280	0.591	20	30		CCEDRM
COc1ccc(CC(=O)N(CC#N)CC(=O)[O-])nc1	ZINC001599547194	997943096	/nfs/dbraw/zinc/94/30/96/997943096.db2.gz	JZXBOEWJIFROLS-UHFFFAOYSA-N	-1	0	263.253	0.069	20	30		CCEDRM
COCC#CC(=O)NC[C@H](Cc1ccncc1)C(=O)[O-]	ZINC001599137711	998071434	/nfs/dbraw/zinc/07/14/34/998071434.db2.gz	AHLCOGAGQFSJGU-LBPRGKRZSA-N	-1	0	276.292	0.091	20	30		CCEDRM
COCC#CC(=O)N(C)Cc1ccc(C(=O)[O-])cc1	ZINC001599138992	998093906	/nfs/dbraw/zinc/09/39/06/998093906.db2.gz	QOXIYNIHOWYOOP-UHFFFAOYSA-N	-1	0	261.277	0.993	20	30		CCEDRM
COC[C@@](C)(CC(=O)[O-])NC(=O)c1cccc(C#N)n1	ZINC001599149837	998276997	/nfs/dbraw/zinc/27/69/97/998276997.db2.gz	JWSVFTQHGURUEW-CYBMUJFWSA-N	-1	0	277.280	0.563	20	30		CCEDRM
COC[C@](C)(NC(=O)c1ccnc(C#N)c1)C(=O)[O-]	ZINC001599153012	998320794	/nfs/dbraw/zinc/32/07/94/998320794.db2.gz	OYGXNEOLFLVICB-LBPRGKRZSA-N	-1	0	263.253	0.173	20	30		CCEDRM
C[C@@H]1[C@H](C(=O)[O-])CCN1C(=O)C(=O)N1CC[C@@](C)(C#N)C1	ZINC001594137197	998388867	/nfs/dbraw/zinc/38/88/67/998388867.db2.gz	CDLYHLMBOVONOO-RULNRJAQSA-N	-1	0	293.323	0.070	20	30		CCEDRM
C[C@H]1[C@H](C(=O)[O-])CCN1C(=O)c1cc(C#N)ccn1	ZINC001594158645	998587532	/nfs/dbraw/zinc/58/75/32/998587532.db2.gz	KUSSRIHZPMHNKM-WCBMZHEXSA-N	-1	0	259.265	0.888	20	30		CCEDRM
COC[C@H](NC(=O)N1CCC(C#N)(C(=O)[O-])CC1)C1CC1	ZINC001599170761	998607348	/nfs/dbraw/zinc/60/73/48/998607348.db2.gz	ZODYAIBDVYEPOU-NSHDSACASA-N	-1	0	295.339	0.811	20	30		CCEDRM
CO[C@H](C)CCNC(=O)N1CCC(C#N)(C(=O)[O-])CC1	ZINC001599038827	999103142	/nfs/dbraw/zinc/10/31/42/999103142.db2.gz	GHKSJTCHVHPBGN-SNVBAGLBSA-N	-1	0	283.328	0.811	20	30		CCEDRM
COC(CN(CCC(=O)[O-])C(=O)CC1(C#N)CC1)OC	ZINC001599047595	999161605	/nfs/dbraw/zinc/16/16/05/999161605.db2.gz	VUNIJBHKKWIPSK-UHFFFAOYSA-N	-1	0	284.312	0.602	20	30		CCEDRM
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